smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c2ccccc21 ZINC001164864159 720984227 /nfs/dbraw/zinc/98/42/27/720984227.db2.gz YKJPUGSUCHEHMA-INIZCTEOSA-N 2 1 379.508 3.861 20 0 GHADMP COc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c2ccccc21 ZINC001164864159 720984251 /nfs/dbraw/zinc/98/42/51/720984251.db2.gz YKJPUGSUCHEHMA-INIZCTEOSA-N 2 1 379.508 3.861 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCC4)cc[nH+]3)C[C@H]21 ZINC001165028891 721818481 /nfs/dbraw/zinc/81/84/81/721818481.db2.gz XYUWVISAWCHSHR-UEVCKROQSA-N 2 1 391.563 3.814 20 0 GHADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(-n4ccnc4)cc[nH+]2)C3)c1 ZINC001164996113 722210634 /nfs/dbraw/zinc/21/06/34/722210634.db2.gz LKJBHXSVJPXYKD-JOCHJYFZSA-N 2 1 377.467 3.651 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186755733 837389916 /nfs/dbraw/zinc/38/99/16/837389916.db2.gz JZGSGUJXJSFISW-MOPGFXCFSA-N 2 1 398.954 3.596 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186755733 837389926 /nfs/dbraw/zinc/38/99/26/837389926.db2.gz JZGSGUJXJSFISW-MOPGFXCFSA-N 2 1 398.954 3.596 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471384205 837453692 /nfs/dbraw/zinc/45/36/92/837453692.db2.gz NSOJPHGXVHSOFE-NRFANRHFSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471384205 837453699 /nfs/dbraw/zinc/45/36/99/837453699.db2.gz NSOJPHGXVHSOFE-NRFANRHFSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471384205 837453705 /nfs/dbraw/zinc/45/37/05/837453705.db2.gz NSOJPHGXVHSOFE-NRFANRHFSA-N 2 1 391.559 3.558 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471403194 837601628 /nfs/dbraw/zinc/60/16/28/837601628.db2.gz LUMUPCSKAQMLPR-UHFFFAOYSA-N 2 1 395.547 3.794 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000655689428 837609327 /nfs/dbraw/zinc/60/93/27/837609327.db2.gz DJVMSMGDMVRCHY-DVECYGJZSA-N 2 1 395.547 3.955 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655691538 837671899 /nfs/dbraw/zinc/67/18/99/837671899.db2.gz UMYDUONSOOJNHH-RDPSFJRHSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691538 837671906 /nfs/dbraw/zinc/67/19/06/837671906.db2.gz UMYDUONSOOJNHH-RDPSFJRHSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691538 837671910 /nfs/dbraw/zinc/67/19/10/837671910.db2.gz UMYDUONSOOJNHH-RDPSFJRHSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691538 837671914 /nfs/dbraw/zinc/67/19/14/837671914.db2.gz UMYDUONSOOJNHH-RDPSFJRHSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691538 837671919 /nfs/dbraw/zinc/67/19/19/837671919.db2.gz UMYDUONSOOJNHH-RDPSFJRHSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655691959 837674205 /nfs/dbraw/zinc/67/42/05/837674205.db2.gz JEKXBOXJWLWRCU-ROKPMTFOSA-N 2 1 385.596 3.507 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655691959 837674215 /nfs/dbraw/zinc/67/42/15/837674215.db2.gz JEKXBOXJWLWRCU-ROKPMTFOSA-N 3 1 385.596 3.507 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655691959 837674220 /nfs/dbraw/zinc/67/42/20/837674220.db2.gz JEKXBOXJWLWRCU-ROKPMTFOSA-N 3 1 385.596 3.507 20 0 GHADMP c1cc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc2c1OCC2 ZINC000655703493 837698902 /nfs/dbraw/zinc/69/89/02/837698902.db2.gz HGZLSHXQRRFYCX-QHCPKHFHSA-N 2 1 378.516 3.631 20 0 GHADMP Clc1cccc(CN2CCCC[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655710507 837703184 /nfs/dbraw/zinc/70/31/84/837703184.db2.gz CLGHOZHWKWGBKK-VXKWHMMOSA-N 2 1 391.987 3.537 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000511486071 837709035 /nfs/dbraw/zinc/70/90/35/837709035.db2.gz BGZFFBWLLGGTKY-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000613540349 837731798 /nfs/dbraw/zinc/73/17/98/837731798.db2.gz XVEBDYPIXAEZQX-NRFANRHFSA-N 2 1 388.552 3.715 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655723211 837741700 /nfs/dbraw/zinc/74/17/00/837741700.db2.gz LJJRLRLAZIRCKP-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655723211 837741708 /nfs/dbraw/zinc/74/17/08/837741708.db2.gz LJJRLRLAZIRCKP-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP Cc1ccc2nc(CSCC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)cn2c1 ZINC000046990096 834424297 /nfs/dbraw/zinc/42/42/97/834424297.db2.gz AWAXWFUNFWVHGJ-SFHVURJKSA-N 2 1 388.581 3.647 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000274619208 834494262 /nfs/dbraw/zinc/49/42/62/834494262.db2.gz VUSKPJVSXDJDPR-DAZPURJESA-N 2 1 379.548 3.855 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000274619208 834494265 /nfs/dbraw/zinc/49/42/65/834494265.db2.gz VUSKPJVSXDJDPR-DAZPURJESA-N 2 1 379.548 3.855 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000583498233 834499812 /nfs/dbraw/zinc/49/98/12/834499812.db2.gz FSIIJIDUVDTFOK-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1 ZINC000583495112 834501469 /nfs/dbraw/zinc/50/14/69/834501469.db2.gz QHEZCBQCCTXRIT-VQTJNVASSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1 ZINC000583495112 834501475 /nfs/dbraw/zinc/50/14/75/834501475.db2.gz QHEZCBQCCTXRIT-VQTJNVASSA-N 2 1 388.577 3.606 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000278758177 834518452 /nfs/dbraw/zinc/51/84/52/834518452.db2.gz SWWGJWUBGQOIBN-AUSIDOKSSA-N 2 1 398.595 3.555 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)C1 ZINC000650708383 834551219 /nfs/dbraw/zinc/55/12/19/834551219.db2.gz YXOBCJTYCFKYFI-CKEIUWERSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)C1 ZINC000650708384 834551354 /nfs/dbraw/zinc/55/13/54/834551354.db2.gz YXOBCJTYCFKYFI-CPUCHLNUSA-N 2 1 387.749 3.821 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000584440030 834619607 /nfs/dbraw/zinc/61/96/07/834619607.db2.gz YKBXJIZWNLCTBQ-JOCHJYFZSA-N 2 1 378.564 3.942 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc12 ZINC000657771664 834650615 /nfs/dbraw/zinc/65/06/15/834650615.db2.gz LUEZCNWDKRZNKK-NRFANRHFSA-N 2 1 389.547 3.669 20 0 GHADMP c1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]nc1-c1cccnc1 ZINC000657771623 834657326 /nfs/dbraw/zinc/65/73/26/834657326.db2.gz DNZGFXRDTNSLFA-OAQYLSRUSA-N 2 1 387.531 3.864 20 0 GHADMP Fc1cccn2cc(CNC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)nc12 ZINC000657772235 834679237 /nfs/dbraw/zinc/67/92/37/834679237.db2.gz KUAWSNCPYVZNLI-LJQANCHMSA-N 2 1 378.495 3.865 20 0 GHADMP Fc1cccn2cc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCC4)nc12 ZINC000657772235 834679241 /nfs/dbraw/zinc/67/92/41/834679241.db2.gz KUAWSNCPYVZNLI-LJQANCHMSA-N 2 1 378.495 3.865 20 0 GHADMP Fc1cccn2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)nc12 ZINC000657772235 834679244 /nfs/dbraw/zinc/67/92/44/834679244.db2.gz KUAWSNCPYVZNLI-LJQANCHMSA-N 2 1 378.495 3.865 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1OC ZINC000650722259 834688500 /nfs/dbraw/zinc/68/85/00/834688500.db2.gz OBCJWMUNZSBQPZ-ZVDOUQERSA-N 2 1 376.541 3.735 20 0 GHADMP CC(C)N(C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000092820921 834689530 /nfs/dbraw/zinc/68/95/30/834689530.db2.gz DVDCDBVODSPEQQ-UHFFFAOYSA-N 2 1 386.584 3.800 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723405 834702757 /nfs/dbraw/zinc/70/27/57/834702757.db2.gz NJPUDDDYPVSZJX-TYPHKJRUSA-N 2 1 388.943 3.695 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772854 834728060 /nfs/dbraw/zinc/72/80/60/834728060.db2.gz XMSXSXJHPKSODG-QFIPXVFZSA-N 2 1 387.531 3.864 20 0 GHADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000547643504 834820052 /nfs/dbraw/zinc/82/00/52/834820052.db2.gz CJWJWLCTIVWKSF-LJQANCHMSA-N 2 1 379.976 3.728 20 0 GHADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000547643504 834820059 /nfs/dbraw/zinc/82/00/59/834820059.db2.gz CJWJWLCTIVWKSF-LJQANCHMSA-N 2 1 379.976 3.728 20 0 GHADMP CC(C)[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000657877506 834878353 /nfs/dbraw/zinc/87/83/53/834878353.db2.gz RVAQRMRYCVITPS-DEOSSOPVSA-N 2 1 385.596 3.795 20 0 GHADMP CC(C)c1[nH+]c(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c2ccccn21 ZINC000583697430 834890717 /nfs/dbraw/zinc/89/07/17/834890717.db2.gz HLSHJQWHYJVJIR-OAQYLSRUSA-N 2 1 391.519 3.520 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000431570847 834932581 /nfs/dbraw/zinc/93/25/81/834932581.db2.gz MTYZUVUFEPPDGB-OALUTQOASA-N 2 1 377.598 3.902 20 0 GHADMP FC(F)(F)c1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655757350 837830730 /nfs/dbraw/zinc/83/07/30/837830730.db2.gz FNPYIILGGZWUHV-LJQANCHMSA-N 2 1 382.470 3.970 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457399 835022468 /nfs/dbraw/zinc/02/24/68/835022468.db2.gz BKZDWOWVMKRELO-MRXNPFEDSA-N 2 1 389.893 3.959 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000685462122 835028903 /nfs/dbraw/zinc/02/89/03/835028903.db2.gz DARNWHHXNRKLBJ-UHFFFAOYSA-N 2 1 377.414 3.918 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000685462122 835028911 /nfs/dbraw/zinc/02/89/11/835028911.db2.gz DARNWHHXNRKLBJ-UHFFFAOYSA-N 2 1 377.414 3.918 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000151143551 835032983 /nfs/dbraw/zinc/03/29/83/835032983.db2.gz TVMSESDQKRAUTP-MRXNPFEDSA-N 2 1 379.495 3.880 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274758077 835037205 /nfs/dbraw/zinc/03/72/05/835037205.db2.gz JHIVADQJINZHCX-NQIIRXRSSA-N 2 1 379.504 3.643 20 0 GHADMP Cc1nn2c(C[N@@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)c(C)nc2s1 ZINC000472340318 835143871 /nfs/dbraw/zinc/14/38/71/835143871.db2.gz DMRAIPZFJJOZBI-RTBURBONSA-N 2 1 383.565 3.580 20 0 GHADMP Cc1nn2c(C[N@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)c(C)nc2s1 ZINC000472340318 835143876 /nfs/dbraw/zinc/14/38/76/835143876.db2.gz DMRAIPZFJJOZBI-RTBURBONSA-N 2 1 383.565 3.580 20 0 GHADMP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000658001165 835368244 /nfs/dbraw/zinc/36/82/44/835368244.db2.gz BZRYURSHOJUCGW-AWEZNQCLSA-N 2 1 391.909 3.905 20 0 GHADMP OC1CC[NH+](CCC[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000151364633 835390284 /nfs/dbraw/zinc/39/02/84/835390284.db2.gz FVSUXPOUTFFRML-UHFFFAOYSA-N 2 1 388.502 3.555 20 0 GHADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cc2)no1 ZINC000092813361 835414097 /nfs/dbraw/zinc/41/40/97/835414097.db2.gz INIVBTYLCGBGOI-IBGZPJMESA-N 2 1 393.491 3.594 20 0 GHADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)cc2)no1 ZINC000092813361 835414101 /nfs/dbraw/zinc/41/41/01/835414101.db2.gz INIVBTYLCGBGOI-IBGZPJMESA-N 2 1 393.491 3.594 20 0 GHADMP C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274804077 835419660 /nfs/dbraw/zinc/41/96/60/835419660.db2.gz WAEPKZRYEJZOIF-UAYNNQDFSA-N 2 1 379.548 3.712 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)CC3 ZINC000658134501 835444002 /nfs/dbraw/zinc/44/40/02/835444002.db2.gz BAQLZMPUXXMEQZ-LEWJYISDSA-N 2 1 389.543 3.690 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135325 835445034 /nfs/dbraw/zinc/44/50/34/835445034.db2.gz DHNZKCJQCWJQMQ-XMSQKQJNSA-N 2 1 390.531 3.505 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](Cc3ccncc3)c3cccs3)cc2)C1 ZINC000658135301 835445284 /nfs/dbraw/zinc/44/52/84/835445284.db2.gz DAFICSVNAGMWSQ-FCHUYYIVSA-N 2 1 393.556 3.783 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000548860674 835452188 /nfs/dbraw/zinc/45/21/88/835452188.db2.gz CQYSUKUWHFRCHX-YLJYHZDGSA-N 2 1 387.597 3.699 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139948 835464655 /nfs/dbraw/zinc/46/46/55/835464655.db2.gz OWVYWJXEHSXPNA-RXVVDRJESA-N 2 1 386.923 3.910 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000471199793 835766723 /nfs/dbraw/zinc/76/67/23/835766723.db2.gz QGEHPZVXZGSSDK-PZJWPPBQSA-N 2 1 385.577 3.550 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000471199793 835766730 /nfs/dbraw/zinc/76/67/30/835766730.db2.gz QGEHPZVXZGSSDK-PZJWPPBQSA-N 2 1 385.577 3.550 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000274897767 835786908 /nfs/dbraw/zinc/78/69/08/835786908.db2.gz KQDGDKKMEYSGHU-SIKLNZKXSA-N 3 1 393.579 3.562 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000274897767 835786925 /nfs/dbraw/zinc/78/69/25/835786925.db2.gz KQDGDKKMEYSGHU-SIKLNZKXSA-N 3 1 393.579 3.562 20 0 GHADMP C[C@]1(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[N@H+]1Cc1ccccc1 ZINC000584339846 835887698 /nfs/dbraw/zinc/88/76/98/835887698.db2.gz ZPGGXRHKZDLNPI-HSZRJFAPSA-N 2 1 396.510 3.648 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000081156136 835932577 /nfs/dbraw/zinc/93/25/77/835932577.db2.gz VYIYPHNFDGGIQD-HXUWFJFHSA-N 2 1 379.548 3.708 20 0 GHADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000151870090 835971655 /nfs/dbraw/zinc/97/16/55/835971655.db2.gz OEZUQKCWOVKEOY-FQEVSTJZSA-N 2 1 398.551 3.615 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000151870090 835971663 /nfs/dbraw/zinc/97/16/63/835971663.db2.gz OEZUQKCWOVKEOY-FQEVSTJZSA-N 2 1 398.551 3.615 20 0 GHADMP CC1=C(c2ccco2)C[N@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000548929593 836200998 /nfs/dbraw/zinc/20/09/98/836200998.db2.gz AHIIEFSDPZCJBU-CTNGQTDRSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[N@@H+]([C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000548929593 836201005 /nfs/dbraw/zinc/20/10/05/836201005.db2.gz AHIIEFSDPZCJBU-CTNGQTDRSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548929593 836201011 /nfs/dbraw/zinc/20/10/11/836201011.db2.gz AHIIEFSDPZCJBU-CTNGQTDRSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548929593 836201016 /nfs/dbraw/zinc/20/10/16/836201016.db2.gz AHIIEFSDPZCJBU-CTNGQTDRSA-N 2 1 393.531 3.538 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000613378046 836235306 /nfs/dbraw/zinc/23/53/06/836235306.db2.gz ROEPCVXNHMFOIU-AEFFLSMTSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000613378046 836235316 /nfs/dbraw/zinc/23/53/16/836235316.db2.gz ROEPCVXNHMFOIU-AEFFLSMTSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613378046 836235326 /nfs/dbraw/zinc/23/53/26/836235326.db2.gz ROEPCVXNHMFOIU-AEFFLSMTSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613378046 836235334 /nfs/dbraw/zinc/23/53/34/836235334.db2.gz ROEPCVXNHMFOIU-AEFFLSMTSA-N 2 1 394.563 3.539 20 0 GHADMP C[N@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209359804 836321877 /nfs/dbraw/zinc/32/18/77/836321877.db2.gz GJYCJHBHLXYHDF-UHFFFAOYSA-N 2 1 375.557 3.888 20 0 GHADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001209359804 836321891 /nfs/dbraw/zinc/32/18/91/836321891.db2.gz GJYCJHBHLXYHDF-UHFFFAOYSA-N 2 1 375.557 3.888 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)s1 ZINC000892570264 836633814 /nfs/dbraw/zinc/63/38/14/836633814.db2.gz IQZCGFKXXCGJBH-MRXNPFEDSA-N 2 1 387.549 3.984 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)s1 ZINC000892570264 836633821 /nfs/dbraw/zinc/63/38/21/836633821.db2.gz IQZCGFKXXCGJBH-MRXNPFEDSA-N 2 1 387.549 3.984 20 0 GHADMP c1ccc(C[C@@H]2CC[NH+]2CC2(C[N@H+]3CC[C@H]3Cc3ccccc3)COC2)cc1 ZINC000543859171 836684865 /nfs/dbraw/zinc/68/48/65/836684865.db2.gz MHLOFWXURWSUJQ-ZEQRLZLVSA-N 2 1 376.544 3.637 20 0 GHADMP c1ccc(C[C@@H]2CC[NH+]2CC2(C[N@@H+]3CC[C@H]3Cc3ccccc3)COC2)cc1 ZINC000543859171 836684868 /nfs/dbraw/zinc/68/48/68/836684868.db2.gz MHLOFWXURWSUJQ-ZEQRLZLVSA-N 2 1 376.544 3.637 20 0 GHADMP C[N@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000582005134 844193129 /nfs/dbraw/zinc/19/31/29/844193129.db2.gz OFWCLNDKRUPNES-GOSISDBHSA-N 2 1 393.622 3.640 20 0 GHADMP C[N@@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000582005134 844193137 /nfs/dbraw/zinc/19/31/37/844193137.db2.gz OFWCLNDKRUPNES-GOSISDBHSA-N 2 1 393.622 3.640 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000067222847 844207046 /nfs/dbraw/zinc/20/70/46/844207046.db2.gz FMQGYDJUNPYHFR-IBGZPJMESA-N 2 1 375.520 3.756 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175640797 836922830 /nfs/dbraw/zinc/92/28/30/836922830.db2.gz OLOAPOOKFJGQJB-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)c(C[NH+]2CCOCC2)c1 ZINC000120970781 836973061 /nfs/dbraw/zinc/97/30/61/836973061.db2.gz WXCRFJARCNPWKE-UHFFFAOYSA-N 2 1 395.547 3.606 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275421000 837013026 /nfs/dbraw/zinc/01/30/26/837013026.db2.gz DRXBZCBDMBROKB-VTUOOYILSA-N 2 1 382.552 3.510 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275421000 837013037 /nfs/dbraw/zinc/01/30/37/837013037.db2.gz DRXBZCBDMBROKB-VTUOOYILSA-N 2 1 382.552 3.510 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000143800053 837108792 /nfs/dbraw/zinc/10/87/92/837108792.db2.gz YUNDEBSYGSAEPA-XMMPIXPASA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431757427 837355534 /nfs/dbraw/zinc/35/55/34/837355534.db2.gz WLBLFPFMVWJASE-QFIPXVFZSA-N 2 1 387.543 3.703 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C(F)(F)F ZINC000893085517 838003933 /nfs/dbraw/zinc/00/39/33/838003933.db2.gz FVTIRGRTRRKGGJ-FUJRLIFFSA-N 2 1 376.463 3.502 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C(F)(F)F ZINC000893085517 838003939 /nfs/dbraw/zinc/00/39/39/838003939.db2.gz FVTIRGRTRRKGGJ-FUJRLIFFSA-N 2 1 376.463 3.502 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431852348 838023013 /nfs/dbraw/zinc/02/30/13/838023013.db2.gz WNQRTMDUWWBHIE-NWSQWKLXSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000431852348 838023024 /nfs/dbraw/zinc/02/30/24/838023024.db2.gz WNQRTMDUWWBHIE-NWSQWKLXSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000431852348 838023035 /nfs/dbraw/zinc/02/30/35/838023035.db2.gz WNQRTMDUWWBHIE-NWSQWKLXSA-N 2 1 383.580 3.953 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000415907886 838254117 /nfs/dbraw/zinc/25/41/17/838254117.db2.gz OGWPBWTYLQVYML-IBGZPJMESA-N 2 1 380.536 3.924 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000415906797 838260779 /nfs/dbraw/zinc/26/07/79/838260779.db2.gz YUDWEIZBWHICDF-QFIPXVFZSA-N 2 1 380.536 3.610 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000659318051 838277431 /nfs/dbraw/zinc/27/74/31/838277431.db2.gz YISBBNCPKZFDQC-QHCPKHFHSA-N 2 1 389.543 3.736 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415920303 838278808 /nfs/dbraw/zinc/27/88/08/838278808.db2.gz OPMRXKQYAUYOFJ-RXVVDRJESA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000415930212 838287124 /nfs/dbraw/zinc/28/71/24/838287124.db2.gz JUVXOSQPHUNVMP-GOSISDBHSA-N 2 1 380.536 3.960 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415967408 838327485 /nfs/dbraw/zinc/32/74/85/838327485.db2.gz HXAAPOGXUJOABR-CQSZACIVSA-N 2 1 386.462 3.940 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000415972551 838331157 /nfs/dbraw/zinc/33/11/57/838331157.db2.gz MXMMTTYWYVZFCY-DEOSSOPVSA-N 2 1 392.547 3.926 20 0 GHADMP CCOCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000782949458 838502468 /nfs/dbraw/zinc/50/24/68/838502468.db2.gz FXEYANFHAJDDKW-BGYRXZFFSA-N 2 1 398.547 3.958 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000376661535 838613242 /nfs/dbraw/zinc/61/32/42/838613242.db2.gz SRWMHEPCOIOVNN-FIKGOQFSSA-N 2 1 381.524 3.510 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000580127274 838933017 /nfs/dbraw/zinc/93/30/17/838933017.db2.gz FDLJABOUFAYCLW-XMMPIXPASA-N 2 1 387.531 3.674 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000580127274 838933027 /nfs/dbraw/zinc/93/30/27/838933027.db2.gz FDLJABOUFAYCLW-XMMPIXPASA-N 2 1 387.531 3.674 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000580127274 838933038 /nfs/dbraw/zinc/93/30/38/838933038.db2.gz FDLJABOUFAYCLW-XMMPIXPASA-N 2 1 387.531 3.674 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000893224970 839036846 /nfs/dbraw/zinc/03/68/46/839036846.db2.gz GYECEMAVXZCMAH-PMXSJFBMSA-N 2 1 376.516 3.510 20 0 GHADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052332 839121000 /nfs/dbraw/zinc/12/10/00/839121000.db2.gz KPSKYXDZAOYQDQ-SHNULKBRSA-N 2 1 385.596 3.916 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415055751 839138299 /nfs/dbraw/zinc/13/82/99/839138299.db2.gz RJDLPXJMDRUSAU-SFTDATJTSA-N 2 1 381.520 3.633 20 0 GHADMP Brc1cccc(OCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415072841 839170308 /nfs/dbraw/zinc/17/03/08/839170308.db2.gz AEBORYUXKGPZGI-IEBWSBKVSA-N 2 1 375.310 3.911 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)c1 ZINC000548079714 839298644 /nfs/dbraw/zinc/29/86/44/839298644.db2.gz APHLVUZNFLXQRW-UHFFFAOYSA-N 2 1 377.532 3.549 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378541397 839303051 /nfs/dbraw/zinc/30/30/51/839303051.db2.gz FQKSEWFUHLUETA-LJQANCHMSA-N 2 1 383.502 3.905 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189349509 839339356 /nfs/dbraw/zinc/33/93/56/839339356.db2.gz QWIZRLZUWUVKGW-XEVCZEQESA-N 2 1 397.563 3.551 20 0 GHADMP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000580499317 839694840 /nfs/dbraw/zinc/69/48/40/839694840.db2.gz WMCIQKJZFVSQBG-ISJGIBHGSA-N 2 1 386.543 3.932 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000047969784 839899698 /nfs/dbraw/zinc/89/96/98/839899698.db2.gz RGQFIQHNCVONNC-QHCPKHFHSA-N 2 1 397.588 3.762 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893018004 839943049 /nfs/dbraw/zinc/94/30/49/839943049.db2.gz AVKSBRWWNUDESN-SFTDATJTSA-N 2 1 388.483 3.635 20 0 GHADMP C[N@H+]1CC[C@H](NCc2ccnc(OC3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000580662181 839972197 /nfs/dbraw/zinc/97/21/97/839972197.db2.gz FWOAPKZKXXXDIT-RBBKRZOGSA-N 2 1 381.520 3.565 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000580696682 840026442 /nfs/dbraw/zinc/02/64/42/840026442.db2.gz DSRGHPDDRPTPEH-YPAWHYETSA-N 2 1 378.520 3.573 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000510345655 840139622 /nfs/dbraw/zinc/13/96/22/840139622.db2.gz YCKHPIJCRYTFEX-UHFFFAOYSA-N 2 1 382.552 3.945 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c1OC ZINC000580777342 840159209 /nfs/dbraw/zinc/15/92/09/840159209.db2.gz QMICEPISBLPNGC-HNNXBMFYSA-N 2 1 387.549 3.791 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000418461284 840263646 /nfs/dbraw/zinc/26/36/46/840263646.db2.gz LMHJJXFAHLGPCH-YDHSSHFGSA-N 2 1 394.563 3.901 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000416970581 840327954 /nfs/dbraw/zinc/32/79/54/840327954.db2.gz FHEJWRBLRWOKFE-XMSQKQJNSA-N 2 1 380.536 3.560 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416985738 840335977 /nfs/dbraw/zinc/33/59/77/840335977.db2.gz YZQPSODELNGAPS-WMZHIEFXSA-N 2 1 398.595 3.735 20 0 GHADMP CC[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000431988943 840496598 /nfs/dbraw/zinc/49/65/98/840496598.db2.gz XAEFVSGGSVHDDN-HXUWFJFHSA-N 2 1 380.621 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000123361654 840536718 /nfs/dbraw/zinc/53/67/18/840536718.db2.gz XMGUSHSPLAAGEX-DYESRHJHSA-N 2 1 381.524 3.512 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)sc1Br ZINC000511765587 840688218 /nfs/dbraw/zinc/68/82/18/840688218.db2.gz SZINRUUPOXNEJQ-KGLIPLIRSA-N 2 1 375.376 3.971 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)sc1Br ZINC000511765587 840688225 /nfs/dbraw/zinc/68/82/25/840688225.db2.gz SZINRUUPOXNEJQ-KGLIPLIRSA-N 2 1 375.376 3.971 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000660192932 840738147 /nfs/dbraw/zinc/73/81/47/840738147.db2.gz VSTHQJCHYPRKMQ-KRWDZBQOSA-N 2 1 393.510 3.762 20 0 GHADMP c1ccc([C@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628680 841024386 /nfs/dbraw/zinc/02/43/86/841024386.db2.gz VOPFHYDAWHXLJC-VXKWHMMOSA-N 2 1 394.563 3.552 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651504 841057997 /nfs/dbraw/zinc/05/79/97/841057997.db2.gz ASMZNDCJLYZHFY-DVECYGJZSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651504 841058009 /nfs/dbraw/zinc/05/80/09/841058009.db2.gz ASMZNDCJLYZHFY-DVECYGJZSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651504 841058023 /nfs/dbraw/zinc/05/80/23/841058023.db2.gz ASMZNDCJLYZHFY-DVECYGJZSA-N 2 1 377.532 3.573 20 0 GHADMP O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679221 841084283 /nfs/dbraw/zinc/08/42/83/841084283.db2.gz JQVGBYWSIGZVLA-NRFANRHFSA-N 2 1 381.545 3.744 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660676502 841089944 /nfs/dbraw/zinc/08/99/44/841089944.db2.gz RXVMKUSKTIQICT-SIKLNZKXSA-N 2 1 398.595 3.918 20 0 GHADMP COc1cccc2c1OC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000245678324 844613586 /nfs/dbraw/zinc/61/35/86/844613586.db2.gz IHUSDZAPGUBJDG-KJJMTIBFSA-N 2 1 378.516 3.784 20 0 GHADMP CC[NH2+]CC1CC[NH+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000430572339 841183801 /nfs/dbraw/zinc/18/38/01/841183801.db2.gz FTXUSIURFOXGRT-UHFFFAOYSA-N 2 1 389.927 3.538 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000417945318 841303969 /nfs/dbraw/zinc/30/39/69/841303969.db2.gz XODQFGPKLZTZLP-FRIKZZABSA-N 2 1 377.532 3.674 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000417945318 841303980 /nfs/dbraw/zinc/30/39/80/841303980.db2.gz XODQFGPKLZTZLP-FRIKZZABSA-N 2 1 377.532 3.674 20 0 GHADMP Cc1cc(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(C)n1 ZINC000661333277 841633115 /nfs/dbraw/zinc/63/31/15/841633115.db2.gz NENDLGOAASKNHZ-JOCHJYFZSA-N 2 1 392.547 3.800 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cnc12 ZINC000656782428 841912711 /nfs/dbraw/zinc/91/27/11/841912711.db2.gz GUEQGMSVYJZILI-MRXNPFEDSA-N 2 1 391.357 3.617 20 0 GHADMP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782988 841913660 /nfs/dbraw/zinc/91/36/60/841913660.db2.gz KSNRTQOZFWOOPG-QGZVFWFLSA-N 2 1 385.533 3.750 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC001204650154 841915139 /nfs/dbraw/zinc/91/51/39/841915139.db2.gz CGSCRAXBTNQFQV-UHFFFAOYSA-N 2 1 396.373 3.961 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(N4CCCC4)nc3)CC23CC3)cc1 ZINC000647170955 841921886 /nfs/dbraw/zinc/92/18/86/841921886.db2.gz VSURNGVBIOKTCU-JOCHJYFZSA-N 2 1 376.548 3.969 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(N4CCCC4)nc3)CC23CC3)cc1 ZINC000647170955 841921891 /nfs/dbraw/zinc/92/18/91/841921891.db2.gz VSURNGVBIOKTCU-JOCHJYFZSA-N 2 1 376.548 3.969 20 0 GHADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000581660982 841931000 /nfs/dbraw/zinc/93/10/00/841931000.db2.gz SISHRRKQRYCJSL-OKKOYFSCSA-N 2 1 383.580 3.559 20 0 GHADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-n2cncn2)c1 ZINC000684374844 841979350 /nfs/dbraw/zinc/97/93/50/841979350.db2.gz XJTHWIWEQNUGBZ-LJQANCHMSA-N 2 1 395.938 3.923 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430638083 841987587 /nfs/dbraw/zinc/98/75/87/841987587.db2.gz MKKPVMHCBMASLL-FGCOXFRFSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430638083 841987590 /nfs/dbraw/zinc/98/75/90/841987590.db2.gz MKKPVMHCBMASLL-FGCOXFRFSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430638083 841987596 /nfs/dbraw/zinc/98/75/96/841987596.db2.gz MKKPVMHCBMASLL-FGCOXFRFSA-N 2 1 391.559 3.820 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000166218094 841991401 /nfs/dbraw/zinc/99/14/01/841991401.db2.gz SKYVRUVJWASIMM-IOMROCGXSA-N 2 1 381.520 3.947 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000581684441 842023301 /nfs/dbraw/zinc/02/33/01/842023301.db2.gz MZJJAHSBIAGIDB-QFIPXVFZSA-N 2 1 387.612 3.855 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000581684441 842023312 /nfs/dbraw/zinc/02/33/12/842023312.db2.gz MZJJAHSBIAGIDB-QFIPXVFZSA-N 2 1 387.612 3.855 20 0 GHADMP c1[nH+]c(C2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)n2c1CCCC2 ZINC000278917983 842024017 /nfs/dbraw/zinc/02/40/17/842024017.db2.gz RENFOVZOLDJOHI-UHFFFAOYSA-N 2 1 377.492 3.692 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001167826743 842065901 /nfs/dbraw/zinc/06/59/01/842065901.db2.gz QXYJEUAODODKGP-FQEVSTJZSA-N 2 1 381.568 3.809 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000581714421 842084516 /nfs/dbraw/zinc/08/45/16/842084516.db2.gz DTLSWBYVBOBCRI-NQIIRXRSSA-N 2 1 392.547 3.849 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCc2ccccc21 ZINC000652227700 842086485 /nfs/dbraw/zinc/08/64/85/842086485.db2.gz MRBHZBWEYAAHNE-STAYPELNSA-N 2 1 376.544 3.648 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000652276481 842133127 /nfs/dbraw/zinc/13/31/27/842133127.db2.gz XOPALXAWOCCEOG-LAUBAEHRSA-N 2 1 398.526 3.651 20 0 GHADMP C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000652274620 842136154 /nfs/dbraw/zinc/13/61/54/842136154.db2.gz SLXGTQPOZCKWBT-XXBNENTESA-N 2 1 392.547 3.995 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)CCCO1 ZINC000432353153 842145154 /nfs/dbraw/zinc/14/51/54/842145154.db2.gz IGYMDXZACHGFIT-ZDUSSCGKSA-N 2 1 375.738 3.693 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH2+]C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000652288037 842149318 /nfs/dbraw/zinc/14/93/18/842149318.db2.gz RCELZMUMUSUETF-WMZHIEFXSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300160 /nfs/dbraw/zinc/30/01/60/842300160.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 2 1 387.612 3.718 20 0 GHADMP C[C@@H]1CN(C[C@@H]2CCC[NH+]2CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300170 /nfs/dbraw/zinc/30/01/70/842300170.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 2 1 387.612 3.718 20 0 GHADMP C[C@@H]1CN(C[C@@H]2CCC[NH+]2CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044698 842300181 /nfs/dbraw/zinc/30/01/81/842300181.db2.gz HANNKSMHTATDKQ-XJUOHMSHSA-N 2 1 387.612 3.718 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654582 861296744 /nfs/dbraw/zinc/29/67/44/861296744.db2.gz CWWIJGVJNDIEEB-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654582 861296760 /nfs/dbraw/zinc/29/67/60/861296760.db2.gz CWWIJGVJNDIEEB-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000670273278 861313326 /nfs/dbraw/zinc/31/33/26/861313326.db2.gz GXTSCSRXCLQCHP-FRIKZZABSA-N 2 1 394.563 3.805 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662158687 842778864 /nfs/dbraw/zinc/77/88/64/842778864.db2.gz XDLLQCTWUSSAJB-MRXNPFEDSA-N 2 1 399.501 3.559 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188234076 842830742 /nfs/dbraw/zinc/83/07/42/842830742.db2.gz MVFXUZRYIFUCPU-MRXNPFEDSA-N 2 1 383.374 3.859 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471858937 842888093 /nfs/dbraw/zinc/88/80/93/842888093.db2.gz ISIHAZBXEWZUGI-FCHUYYIVSA-N 2 1 379.548 3.914 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471858937 842888102 /nfs/dbraw/zinc/88/81/02/842888102.db2.gz ISIHAZBXEWZUGI-FCHUYYIVSA-N 2 1 379.548 3.914 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000510544819 842939147 /nfs/dbraw/zinc/93/91/47/842939147.db2.gz JMCJKEPQWQTKBQ-YUVXSKOASA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000510544819 842939154 /nfs/dbraw/zinc/93/91/54/842939154.db2.gz JMCJKEPQWQTKBQ-YUVXSKOASA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000510544819 842939161 /nfs/dbraw/zinc/93/91/61/842939161.db2.gz JMCJKEPQWQTKBQ-YUVXSKOASA-N 2 1 398.595 3.774 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001126217589 843000800 /nfs/dbraw/zinc/00/08/00/843000800.db2.gz CCMARXXSJNSXBA-APKLWFBNSA-N 2 1 383.580 3.622 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291250 843082110 /nfs/dbraw/zinc/08/21/10/843082110.db2.gz QKONZRWOHOACLQ-DOTOQJQBSA-N 2 1 393.959 3.696 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)no1 ZINC000662292291 843083820 /nfs/dbraw/zinc/08/38/20/843083820.db2.gz DCIGGMKHVIZHCF-AWEZNQCLSA-N 2 1 378.879 3.741 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)no1 ZINC000662292291 843083832 /nfs/dbraw/zinc/08/38/32/843083832.db2.gz DCIGGMKHVIZHCF-AWEZNQCLSA-N 2 1 378.879 3.741 20 0 GHADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1cccs1 ZINC000662291528 843084031 /nfs/dbraw/zinc/08/40/31/843084031.db2.gz HQWGLLAEXYYAJF-PXNSSMCTSA-N 2 1 377.598 3.663 20 0 GHADMP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccs1 ZINC000662297878 843089528 /nfs/dbraw/zinc/08/95/28/843089528.db2.gz SPSNZAVIPMSNIF-PXNSSMCTSA-N 2 1 377.598 3.663 20 0 GHADMP CC(C)c1cccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000663318240 843110112 /nfs/dbraw/zinc/11/01/12/843110112.db2.gz UBPFXUNZRFSWJS-UHFFFAOYSA-N 2 1 395.547 3.761 20 0 GHADMP O=C(C1CC[NH+](CCC[NH+]2CCCCC2)CC1)N(Cc1ccccc1)C1CC1 ZINC000161864397 843147673 /nfs/dbraw/zinc/14/76/73/843147673.db2.gz WPWDDNZQCLTLNW-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)n2)c1 ZINC000279594196 843158868 /nfs/dbraw/zinc/15/88/68/843158868.db2.gz VPJNPCXVRSFBCE-DLBZAZTESA-N 2 1 394.523 3.527 20 0 GHADMP COC1(c2noc(CC3CC[NH+](CC[C@@H]4CCCC[N@H+]4C)CC3)n2)CCCC1 ZINC000662377754 843178105 /nfs/dbraw/zinc/17/81/05/843178105.db2.gz QMQCMRIXYHLESY-IBGZPJMESA-N 2 1 390.572 3.614 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000663343923 843248902 /nfs/dbraw/zinc/24/89/02/843248902.db2.gz JZVSXXJWEPLOMY-HXUWFJFHSA-N 2 1 395.547 3.881 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000663343923 843248909 /nfs/dbraw/zinc/24/89/09/843248909.db2.gz JZVSXXJWEPLOMY-HXUWFJFHSA-N 2 1 395.547 3.881 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512295550 843341382 /nfs/dbraw/zinc/34/13/82/843341382.db2.gz PUYWSPFCCFTBBX-NHCICSSKSA-N 2 1 391.559 3.897 20 0 GHADMP CCN(C(=O)c1cc2c(s1)CC[NH2+]C2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662502174 843353241 /nfs/dbraw/zinc/35/32/41/843353241.db2.gz IQHLVAKEDMNFHB-VQIMIIECSA-N 2 1 383.561 3.691 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](C(=O)N(C)C)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512326521 843381871 /nfs/dbraw/zinc/38/18/71/843381871.db2.gz RVOITMNNDMEWQG-LSWJPFSZSA-N 2 1 379.548 3.706 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000066960576 843382648 /nfs/dbraw/zinc/38/26/48/843382648.db2.gz OCBNKKMBEFBFHL-IBGZPJMESA-N 2 1 398.595 3.659 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1NC(C)=O ZINC000165327435 843391949 /nfs/dbraw/zinc/39/19/49/843391949.db2.gz NJFJEEPZSZEIIA-WIYYLYMNSA-N 2 1 395.547 3.869 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1NC(C)=O ZINC000165327435 843391960 /nfs/dbraw/zinc/39/19/60/843391960.db2.gz NJFJEEPZSZEIIA-WIYYLYMNSA-N 2 1 395.547 3.869 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1NC(C)=O ZINC000165327209 843392452 /nfs/dbraw/zinc/39/24/52/843392452.db2.gz NJFJEEPZSZEIIA-NQIIRXRSSA-N 2 1 395.547 3.869 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1NC(C)=O ZINC000165327209 843392460 /nfs/dbraw/zinc/39/24/60/843392460.db2.gz NJFJEEPZSZEIIA-NQIIRXRSSA-N 2 1 395.547 3.869 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587429 843423271 /nfs/dbraw/zinc/42/32/71/843423271.db2.gz CYYQBEGSYKMPRE-LEWJYISDSA-N 2 1 398.595 3.731 20 0 GHADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020968 843445931 /nfs/dbraw/zinc/44/59/31/843445931.db2.gz GGTRXAHNFYEILO-KGLIPLIRSA-N 2 1 386.565 3.658 20 0 GHADMP CCN(C(=O)c1cccc2c1CC[NH2+]C2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662694525 843524219 /nfs/dbraw/zinc/52/42/19/843524219.db2.gz RRSNCXKBKGLELZ-RXVVDRJESA-N 2 1 377.532 3.630 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466832 843664676 /nfs/dbraw/zinc/66/46/76/843664676.db2.gz ALEATDDTZJDNDK-DOTOQJQBSA-N 2 1 393.959 3.777 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000510866614 843673697 /nfs/dbraw/zinc/67/36/97/843673697.db2.gz MJEDAZYGIRTPQK-HXUWFJFHSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000510866614 843673700 /nfs/dbraw/zinc/67/37/00/843673700.db2.gz MJEDAZYGIRTPQK-HXUWFJFHSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000510866614 843673702 /nfs/dbraw/zinc/67/37/02/843673702.db2.gz MJEDAZYGIRTPQK-HXUWFJFHSA-N 2 1 379.548 3.780 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000092165737 843678510 /nfs/dbraw/zinc/67/85/10/843678510.db2.gz JVZJVSJSYSMECT-UHFFFAOYSA-N 2 1 383.536 3.975 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278907121 843683378 /nfs/dbraw/zinc/68/33/78/843683378.db2.gz PZRONQNOCZQQHM-UHFFFAOYSA-N 2 1 396.535 3.826 20 0 GHADMP C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433194561 843808736 /nfs/dbraw/zinc/80/87/36/843808736.db2.gz XOBRYRSVIDVYDT-LJQANCHMSA-N 2 1 397.588 3.741 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCSC4CCCCC4)CC3)C2)cc1 ZINC000512444024 843819629 /nfs/dbraw/zinc/81/96/29/843819629.db2.gz JVDYPSUFDNZITK-QFIPXVFZSA-N 2 1 387.637 3.944 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282434153 861463167 /nfs/dbraw/zinc/46/31/67/861463167.db2.gz HOJLHNMYLKPNJN-SFLYRZDNSA-N 2 1 391.559 3.649 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)(C)C ZINC000522479843 861486404 /nfs/dbraw/zinc/48/64/04/861486404.db2.gz QMPLSMIQOMROMM-ICSRJNTNSA-N 2 1 377.548 3.520 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000433596257 845055124 /nfs/dbraw/zinc/05/51/24/845055124.db2.gz WSIQIAJUQBNLIR-SUBDCCPMSA-N 2 1 394.563 3.652 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(F)cc2c1OCOC2 ZINC000179396814 861562971 /nfs/dbraw/zinc/56/29/71/861562971.db2.gz KZYYALVHNRSGSY-UHFFFAOYSA-N 2 1 385.483 3.826 20 0 GHADMP Cc1ccsc1CNC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433116837 845374268 /nfs/dbraw/zinc/37/42/68/845374268.db2.gz SEIMEZKEFJMCIW-UHFFFAOYSA-N 2 1 397.588 3.661 20 0 GHADMP c1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(-c2ccccc2)n1 ZINC000433133187 845467688 /nfs/dbraw/zinc/46/76/88/845467688.db2.gz YPCLMBQGSMYJEE-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP c1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(-c2ccccc2)n1 ZINC000433133187 845467695 /nfs/dbraw/zinc/46/76/95/845467695.db2.gz YPCLMBQGSMYJEE-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411531797 845553431 /nfs/dbraw/zinc/55/34/31/845553431.db2.gz LOVHXCKGRQAVPA-HROJSSOGSA-N 2 1 397.538 3.530 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411531797 845553436 /nfs/dbraw/zinc/55/34/36/845553436.db2.gz LOVHXCKGRQAVPA-HROJSSOGSA-N 2 1 397.538 3.530 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cnc2n1 ZINC000513544376 845635721 /nfs/dbraw/zinc/63/57/21/845635721.db2.gz HHVPVFICYYZMJK-GHTZIAJQSA-N 2 1 377.536 3.736 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000433943508 845641594 /nfs/dbraw/zinc/64/15/94/845641594.db2.gz UOBUOEJPGJSEMC-KJXAQDMKSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000433943508 845641596 /nfs/dbraw/zinc/64/15/96/845641596.db2.gz UOBUOEJPGJSEMC-KJXAQDMKSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000433943508 845641600 /nfs/dbraw/zinc/64/16/00/845641600.db2.gz UOBUOEJPGJSEMC-KJXAQDMKSA-N 2 1 398.595 3.603 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167509472 845851111 /nfs/dbraw/zinc/85/11/11/845851111.db2.gz NQGHGSSPRFHOML-QFIPXVFZSA-N 2 1 387.568 3.841 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167509472 845851121 /nfs/dbraw/zinc/85/11/21/845851121.db2.gz NQGHGSSPRFHOML-QFIPXVFZSA-N 2 1 387.568 3.841 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167509472 845851131 /nfs/dbraw/zinc/85/11/31/845851131.db2.gz NQGHGSSPRFHOML-QFIPXVFZSA-N 2 1 387.568 3.841 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000105443259 845993714 /nfs/dbraw/zinc/99/37/14/845993714.db2.gz DHQHTHADIBEICC-SFHVURJKSA-N 2 1 386.503 3.865 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000513636728 846178161 /nfs/dbraw/zinc/17/81/61/846178161.db2.gz BJHNGEJKAGBVQQ-HSZRJFAPSA-N 2 1 393.575 3.964 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000513636728 846178168 /nfs/dbraw/zinc/17/81/68/846178168.db2.gz BJHNGEJKAGBVQQ-HSZRJFAPSA-N 2 1 393.575 3.964 20 0 GHADMP C[C@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C[NH+]1CCCCC1 ZINC000513647313 846211564 /nfs/dbraw/zinc/21/15/64/846211564.db2.gz GHLKQFWYTZHINB-MRXNPFEDSA-N 2 1 391.357 3.846 20 0 GHADMP Cn1cncc1CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000298104948 846388579 /nfs/dbraw/zinc/38/85/79/846388579.db2.gz NSTALKDPDZWJHT-DEOSSOPVSA-N 2 1 389.547 3.524 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@@H]1C ZINC000502785113 846486187 /nfs/dbraw/zinc/48/61/87/846486187.db2.gz RPCNUEBFLYQLMH-GKYDQMIMSA-N 2 1 378.605 3.544 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)CC1 ZINC000093142982 846545713 /nfs/dbraw/zinc/54/57/13/846545713.db2.gz IMRBVADZDPNOEG-UHFFFAOYSA-N 2 1 397.588 3.791 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000502856871 846553017 /nfs/dbraw/zinc/55/30/17/846553017.db2.gz BNNRQBAELLIAGR-SIKLNZKXSA-N 2 1 388.600 3.663 20 0 GHADMP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066441 846597540 /nfs/dbraw/zinc/59/75/40/846597540.db2.gz CKGNLRCVHLCDSK-UHFFFAOYSA-N 2 1 388.462 3.537 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000501072566 846613333 /nfs/dbraw/zinc/61/33/33/846613333.db2.gz OGGKUFDMIIVWOS-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000503072869 846774419 /nfs/dbraw/zinc/77/44/19/846774419.db2.gz DVEZTDSAQPAVNT-HSZRJFAPSA-N 2 1 382.552 3.951 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000503072869 846774424 /nfs/dbraw/zinc/77/44/24/846774424.db2.gz DVEZTDSAQPAVNT-HSZRJFAPSA-N 2 1 382.552 3.951 20 0 GHADMP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000582303845 846814762 /nfs/dbraw/zinc/81/47/62/846814762.db2.gz PTXPCVTUNKPSPJ-UHFFFAOYSA-N 2 1 391.559 3.577 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000501517352 846978458 /nfs/dbraw/zinc/97/84/58/846978458.db2.gz GKDOAYVNUSHEJB-RBUKOAKNSA-N 2 1 394.629 3.864 20 0 GHADMP C[N@@H+](CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501574960 847032243 /nfs/dbraw/zinc/03/22/43/847032243.db2.gz UXCGBPMAFXFLOZ-JOCHJYFZSA-N 2 1 386.584 3.777 20 0 GHADMP Fc1ccc(OCc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000420338392 847117539 /nfs/dbraw/zinc/11/75/39/847117539.db2.gz KULNVMQXOVDDJE-LJQANCHMSA-N 2 1 375.513 3.825 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1S(C)(=O)=O ZINC000158579776 847118179 /nfs/dbraw/zinc/11/81/79/847118179.db2.gz KAWYSOBDKZCZID-KSZLIROESA-N 2 1 396.597 3.507 20 0 GHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420354942 847135993 /nfs/dbraw/zinc/13/59/93/847135993.db2.gz DQIWPPJSQLRINA-DLBZAZTESA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272673733 847142091 /nfs/dbraw/zinc/14/20/91/847142091.db2.gz QGRJLAZEMAJZLN-JTHBVZDNSA-N 2 1 385.596 3.522 20 0 GHADMP Cn1c2cc(F)ccc2[nH+]c1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000431409885 847230193 /nfs/dbraw/zinc/23/01/93/847230193.db2.gz KJWBDDAUFPSQHY-UHFFFAOYSA-N 2 1 396.510 3.618 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511126713 847251723 /nfs/dbraw/zinc/25/17/23/847251723.db2.gz QDINHUKGJPQRMV-IBGZPJMESA-N 2 1 393.531 3.538 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511126713 847251732 /nfs/dbraw/zinc/25/17/32/847251732.db2.gz QDINHUKGJPQRMV-IBGZPJMESA-N 2 1 393.531 3.538 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C(F)F)nc4ccccc43)CC2)CC1 ZINC000420628618 847336884 /nfs/dbraw/zinc/33/68/84/847336884.db2.gz PSRQEACTIXDSCJ-UHFFFAOYSA-N 2 1 389.494 3.564 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C(F)F)nc4ccccc43)CC2)CC1 ZINC000420628618 847336896 /nfs/dbraw/zinc/33/68/96/847336896.db2.gz PSRQEACTIXDSCJ-UHFFFAOYSA-N 2 1 389.494 3.564 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000237151383 847460698 /nfs/dbraw/zinc/46/06/98/847460698.db2.gz PGOYGYLDPDFUMI-CZAFVFSZSA-N 2 1 383.580 3.988 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000502150950 847522465 /nfs/dbraw/zinc/52/24/65/847522465.db2.gz BCSVEYWWQQGVTO-UHFFFAOYSA-N 2 1 386.584 3.512 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919609 847540820 /nfs/dbraw/zinc/54/08/20/847540820.db2.gz ZNJRSOGLPSKBEQ-URXFXBBRSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919609 847540823 /nfs/dbraw/zinc/54/08/23/847540823.db2.gz ZNJRSOGLPSKBEQ-URXFXBBRSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919609 847540829 /nfs/dbraw/zinc/54/08/29/847540829.db2.gz ZNJRSOGLPSKBEQ-URXFXBBRSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919609 847540833 /nfs/dbraw/zinc/54/08/33/847540833.db2.gz ZNJRSOGLPSKBEQ-URXFXBBRSA-N 2 1 385.596 3.605 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000502265467 847649746 /nfs/dbraw/zinc/64/97/46/847649746.db2.gz BRPQLFLDVQPGLS-ONTLXTELSA-N 2 1 379.548 3.580 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000502265467 847649760 /nfs/dbraw/zinc/64/97/60/847649760.db2.gz BRPQLFLDVQPGLS-ONTLXTELSA-N 2 1 379.548 3.580 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503417406 847681836 /nfs/dbraw/zinc/68/18/36/847681836.db2.gz CMBORUDDCMTFDX-LRSLUSHPSA-N 2 1 392.632 3.650 20 0 GHADMP COc1cc2c(c(C[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)c1)O[C@H](C)C2 ZINC000502344954 847779985 /nfs/dbraw/zinc/77/99/85/847779985.db2.gz JJZRRZZNSCEBMM-SJORKVTESA-N 2 1 381.520 3.931 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)C1 ZINC000414694204 847832206 /nfs/dbraw/zinc/83/22/06/847832206.db2.gz MTIVMIDALIVQDH-IBGZPJMESA-N 2 1 379.548 3.782 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[NH+](CC)CC)cc1 ZINC000431465495 847859050 /nfs/dbraw/zinc/85/90/50/847859050.db2.gz QMXIBGMPPWFRHJ-GCJKJVERSA-N 2 1 386.584 3.582 20 0 GHADMP c1ccc(CCN2CCC([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422842375 847862848 /nfs/dbraw/zinc/86/28/48/847862848.db2.gz FQMLMHFVXBRRTN-ZCYQVOJMSA-N 2 1 391.559 3.539 20 0 GHADMP Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422885473 847870536 /nfs/dbraw/zinc/87/05/36/847870536.db2.gz YVFQQGGNKWTTBX-SFTDATJTSA-N 2 1 381.520 3.762 20 0 GHADMP Fc1cccc(OC(F)F)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422924568 847891992 /nfs/dbraw/zinc/89/19/92/847891992.db2.gz ZAOUUQPQMDELBF-OXJNMPFZSA-N 2 1 378.394 3.773 20 0 GHADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422950557 847912358 /nfs/dbraw/zinc/91/23/58/847912358.db2.gz YJBUIZBXAYVYGT-HYVNUMGLSA-N 2 1 397.357 3.867 20 0 GHADMP COc1ccc([C@@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccccc2)cc1Br ZINC000422979654 847927013 /nfs/dbraw/zinc/92/70/13/847927013.db2.gz KCTPNLDYKNFLLB-YJYMSZOUSA-N 2 1 375.310 3.745 20 0 GHADMP CCC(CC)(CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000503797599 847949331 /nfs/dbraw/zinc/94/93/31/847949331.db2.gz WJTOUYGUVCCFMX-NQIIRXRSSA-N 2 1 386.584 3.774 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000075007817 848169049 /nfs/dbraw/zinc/16/90/49/848169049.db2.gz QSFWHBUDMLYZNS-UHFFFAOYSA-N 2 1 375.488 3.804 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)cc2)C1 ZINC000657595809 848292088 /nfs/dbraw/zinc/29/20/88/848292088.db2.gz KEOKIULDJRCNOS-LJQANCHMSA-N 2 1 382.401 3.701 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511206525 848544388 /nfs/dbraw/zinc/54/43/88/848544388.db2.gz NVKHCMJMAYJDLD-FQEVSTJZSA-N 2 1 379.548 3.923 20 0 GHADMP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000657688765 848634574 /nfs/dbraw/zinc/63/45/74/848634574.db2.gz JSKIQEXNJXXZSD-NFBKMPQASA-N 2 1 384.543 3.567 20 0 GHADMP CN(CCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000827980961 848803317 /nfs/dbraw/zinc/80/33/17/848803317.db2.gz VDKPJSCRBQSZIQ-UHFFFAOYSA-N 3 1 386.628 3.641 20 0 GHADMP CN(CCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000827980961 848803319 /nfs/dbraw/zinc/80/33/19/848803319.db2.gz VDKPJSCRBQSZIQ-UHFFFAOYSA-N 3 1 386.628 3.641 20 0 GHADMP CN(CCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000827980961 848803330 /nfs/dbraw/zinc/80/33/30/848803330.db2.gz VDKPJSCRBQSZIQ-UHFFFAOYSA-N 3 1 386.628 3.641 20 0 GHADMP CCN1CC[C@]2(CCCN([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045657 861946239 /nfs/dbraw/zinc/94/62/39/861946239.db2.gz LFJMYBQHUMEVEF-MNHFLQJXSA-N 2 1 383.580 3.762 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000458384387 849065555 /nfs/dbraw/zinc/06/55/55/849065555.db2.gz MDGPQDXFPDZIJT-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000150763502 849121149 /nfs/dbraw/zinc/12/11/49/849121149.db2.gz FRCRVKQPVYRSKS-AUSIDOKSSA-N 2 1 397.588 3.762 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000079610847 849140068 /nfs/dbraw/zinc/14/00/68/849140068.db2.gz VRXQLVOGPJEJSD-QFIPXVFZSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H]1c1cccs1 ZINC000673863711 861993742 /nfs/dbraw/zinc/99/37/42/861993742.db2.gz KWQOAXAZQUHYKS-BEFAXECRSA-N 2 1 396.520 3.533 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000125036788 849434404 /nfs/dbraw/zinc/43/44/04/849434404.db2.gz WRDSFJKLWVVOOO-HXUWFJFHSA-N 2 1 399.560 3.576 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000472285468 849600997 /nfs/dbraw/zinc/60/09/97/849600997.db2.gz KDFIAONNMHHRKG-IBGZPJMESA-N 2 1 377.916 3.928 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000472285468 849601004 /nfs/dbraw/zinc/60/10/04/849601004.db2.gz KDFIAONNMHHRKG-IBGZPJMESA-N 2 1 377.916 3.928 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853127 849756127 /nfs/dbraw/zinc/75/61/27/849756127.db2.gz RWLAUCLWYKYTIA-DYVFJYSZSA-N 2 1 382.346 3.663 20 0 GHADMP CCC(CC)c1cc(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)on1 ZINC000638025800 849776568 /nfs/dbraw/zinc/77/65/68/849776568.db2.gz WPTXPDIIERSUCZ-UHFFFAOYSA-N 2 1 398.551 3.578 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C)C(C)C ZINC000503964200 849805286 /nfs/dbraw/zinc/80/52/86/849805286.db2.gz PJJYBAZYVDVONX-UHFFFAOYSA-N 2 1 376.589 3.787 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000414729953 849842977 /nfs/dbraw/zinc/84/29/77/849842977.db2.gz GEFMYKRBHVWRKX-VXGBXAGGSA-N 2 1 377.838 3.617 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s2)cc1OC ZINC000423267310 849843989 /nfs/dbraw/zinc/84/39/89/849843989.db2.gz FFGQGPSSRGCDKW-XJKSGUPXSA-N 2 1 377.554 3.693 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000514437806 849854697 /nfs/dbraw/zinc/85/46/97/849854697.db2.gz GBSCDAHTTYJZQO-VQTJNVASSA-N 2 1 398.576 3.583 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000514437806 849854701 /nfs/dbraw/zinc/85/47/01/849854701.db2.gz GBSCDAHTTYJZQO-VQTJNVASSA-N 2 1 398.576 3.583 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000414733821 849869244 /nfs/dbraw/zinc/86/92/44/849869244.db2.gz DBCGKZUXRNMXIH-NVXWUHKLSA-N 2 1 381.358 3.818 20 0 GHADMP CCc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423397457 849901543 /nfs/dbraw/zinc/90/15/43/849901543.db2.gz SWPXCJUWUCMISS-ONTIZHBOSA-N 2 1 386.561 3.601 20 0 GHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1 ZINC000423506419 849947537 /nfs/dbraw/zinc/94/75/37/849947537.db2.gz IWGPEEYLEXHBMW-CTWPCTMYSA-N 2 1 380.374 3.706 20 0 GHADMP FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423490502 849952322 /nfs/dbraw/zinc/95/23/22/849952322.db2.gz YZKFZBYFVNXIER-XRXFAXGQSA-N 3 1 377.523 3.512 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423490502 849952331 /nfs/dbraw/zinc/95/23/31/849952331.db2.gz YZKFZBYFVNXIER-XRXFAXGQSA-N 3 1 377.523 3.512 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423490502 849952339 /nfs/dbraw/zinc/95/23/39/849952339.db2.gz YZKFZBYFVNXIER-XRXFAXGQSA-N 3 1 377.523 3.512 20 0 GHADMP NC1(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC[NH+](Cc2ccccc2)CC1 ZINC000423533482 849959935 /nfs/dbraw/zinc/95/99/35/849959935.db2.gz XNUATTPMLQNUKW-SFHVURJKSA-N 2 1 389.465 3.674 20 0 GHADMP COC[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000423522443 849966561 /nfs/dbraw/zinc/96/65/61/849966561.db2.gz HIXZGNIDHKKEID-OAQYLSRUSA-N 2 1 387.955 3.611 20 0 GHADMP [NH3+]C1(CN[C@H]2CCSc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423559943 849970872 /nfs/dbraw/zinc/97/08/72/849970872.db2.gz JJVQLCCVKIKDLO-FQEVSTJZSA-N 2 1 385.552 3.946 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000504427644 850060536 /nfs/dbraw/zinc/06/05/36/850060536.db2.gz SINKSARGWNRXKT-RBBKRZOGSA-N 2 1 388.600 3.657 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000423914326 850099735 /nfs/dbraw/zinc/09/97/35/850099735.db2.gz XTMLXVFMJRQUQQ-CDNPAEQRSA-N 2 1 377.532 3.833 20 0 GHADMP NC(=O)C1CC[NH+](Cc2ccc(CNc3cc[nH+]c4ccsc43)cc2)CC1 ZINC000514660539 850118142 /nfs/dbraw/zinc/11/81/42/850118142.db2.gz RDPJABBOHYXRFU-UHFFFAOYSA-N 2 1 380.517 3.606 20 0 GHADMP CCC[N@H+](Cc1ccc2c(n1)CCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000518923520 850334157 /nfs/dbraw/zinc/33/41/57/850334157.db2.gz LDVULIGDZZNHSL-UHFFFAOYSA-N 2 1 379.552 3.858 20 0 GHADMP CCC[N@@H+](Cc1ccc2c(n1)CCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000518923520 850334162 /nfs/dbraw/zinc/33/41/62/850334162.db2.gz LDVULIGDZZNHSL-UHFFFAOYSA-N 2 1 379.552 3.858 20 0 GHADMP CC1(C)C[NH+](CCCCC[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000514831070 850364340 /nfs/dbraw/zinc/36/43/40/850364340.db2.gz GZVNDFWVFMZCJH-XSDIEEQYSA-N 2 1 378.601 3.936 20 0 GHADMP CC1(C)C[N@@H+](CCCCC[NH+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000514831070 850364345 /nfs/dbraw/zinc/36/43/45/850364345.db2.gz GZVNDFWVFMZCJH-XSDIEEQYSA-N 2 1 378.601 3.936 20 0 GHADMP CC1(C)C[N@H+](CCCCC[NH+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000514831070 850364349 /nfs/dbraw/zinc/36/43/49/850364349.db2.gz GZVNDFWVFMZCJH-XSDIEEQYSA-N 2 1 378.601 3.936 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000424438811 850450246 /nfs/dbraw/zinc/45/02/46/850450246.db2.gz QIYDKLMFFKWREC-UHFFFAOYSA-N 2 1 380.536 3.626 20 0 GHADMP COc1ccc(C[C@@H](C)C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1F ZINC000435426784 850507256 /nfs/dbraw/zinc/50/72/56/850507256.db2.gz JSTRNQLEXANZJF-QAPCUYQASA-N 2 1 391.556 3.890 20 0 GHADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1OCC[NH+]1CCCC1 ZINC000439959491 850630606 /nfs/dbraw/zinc/63/06/06/850630606.db2.gz QWWGTHVIIYCWAR-NRFANRHFSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1OCC[NH+](C)C ZINC000481720219 862151901 /nfs/dbraw/zinc/15/19/01/862151901.db2.gz FJEUEABXWZONKU-OFNKIYASSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720219 862151913 /nfs/dbraw/zinc/15/19/13/862151913.db2.gz FJEUEABXWZONKU-OFNKIYASSA-N 3 1 381.564 3.627 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000505141799 850644286 /nfs/dbraw/zinc/64/42/86/850644286.db2.gz NLORJONOKQJJGD-QZTJIDSGSA-N 2 1 385.474 3.689 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720219 862151923 /nfs/dbraw/zinc/15/19/23/862151923.db2.gz FJEUEABXWZONKU-OFNKIYASSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720219 862151931 /nfs/dbraw/zinc/15/19/31/862151931.db2.gz FJEUEABXWZONKU-OFNKIYASSA-N 2 1 381.564 3.627 20 0 GHADMP O=C(CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1ccccc1Cl ZINC000435624153 850721081 /nfs/dbraw/zinc/72/10/81/850721081.db2.gz DUYCXMUJHNTQSV-GOSISDBHSA-N 2 1 386.927 3.708 20 0 GHADMP O=C(CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1ccccc1Cl ZINC000435624153 850721087 /nfs/dbraw/zinc/72/10/87/850721087.db2.gz DUYCXMUJHNTQSV-GOSISDBHSA-N 2 1 386.927 3.708 20 0 GHADMP Cn1ncc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1C(F)(F)F ZINC000435690629 850769557 /nfs/dbraw/zinc/76/95/57/850769557.db2.gz BNDDNFNXWBDWMN-OAHLLOKOSA-N 2 1 384.471 3.645 20 0 GHADMP Cn1ncc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1C(F)(F)F ZINC000435690629 850769563 /nfs/dbraw/zinc/76/95/63/850769563.db2.gz BNDDNFNXWBDWMN-OAHLLOKOSA-N 2 1 384.471 3.645 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435865921 850940619 /nfs/dbraw/zinc/94/06/19/850940619.db2.gz DUBSCJVHLAJWMP-UXHICEINSA-N 2 1 388.556 3.513 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000515395522 850975778 /nfs/dbraw/zinc/97/57/78/850975778.db2.gz NTQVWORSJVJBAI-VGSWGCGISA-N 2 1 379.504 3.834 20 0 GHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440262239 850975935 /nfs/dbraw/zinc/97/59/35/850975935.db2.gz WMPHNJIDOJFHTD-ILBGXUMGSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440262239 850975936 /nfs/dbraw/zinc/97/59/36/850975936.db2.gz WMPHNJIDOJFHTD-ILBGXUMGSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000440262239 850975938 /nfs/dbraw/zinc/97/59/38/850975938.db2.gz WMPHNJIDOJFHTD-ILBGXUMGSA-N 2 1 395.591 3.908 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000487911881 850985431 /nfs/dbraw/zinc/98/54/31/850985431.db2.gz GGTOATBJPAJVSD-ZIFCJYIRSA-N 2 1 385.939 3.770 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000487911881 850985436 /nfs/dbraw/zinc/98/54/36/850985436.db2.gz GGTOATBJPAJVSD-ZIFCJYIRSA-N 2 1 385.939 3.770 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000487927584 850997311 /nfs/dbraw/zinc/99/73/11/850997311.db2.gz ZXQTVIPRIVJGFV-UNMCSNQZSA-N 2 1 388.600 3.705 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1)CC1CC1 ZINC000434355659 851026238 /nfs/dbraw/zinc/02/62/38/851026238.db2.gz PECVPRYBNCJFCL-JOCHJYFZSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1)CC1CC1 ZINC000434355659 851026245 /nfs/dbraw/zinc/02/62/45/851026245.db2.gz PECVPRYBNCJFCL-JOCHJYFZSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1)CC1CC1 ZINC000434355659 851026251 /nfs/dbraw/zinc/02/62/51/851026251.db2.gz PECVPRYBNCJFCL-JOCHJYFZSA-N 2 1 390.616 3.547 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c2cccs2)CC1 ZINC000519475033 851104973 /nfs/dbraw/zinc/10/49/73/851104973.db2.gz IVXZDBGBTYQBQA-PZJWPPBQSA-N 2 1 385.577 3.940 20 0 GHADMP Brc1ccoc1C[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279133386 851190734 /nfs/dbraw/zinc/19/07/34/851190734.db2.gz RUSPITDUYIULTO-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP Brc1ccoc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279133386 851190738 /nfs/dbraw/zinc/19/07/38/851190738.db2.gz RUSPITDUYIULTO-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000488427525 851494237 /nfs/dbraw/zinc/49/42/37/851494237.db2.gz VAOBHLWRJWWJID-SIKLNZKXSA-N 2 1 392.609 3.796 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000111089025 851534804 /nfs/dbraw/zinc/53/48/04/851534804.db2.gz SIMMJMXLMACRID-HSZRJFAPSA-N 2 1 379.548 3.804 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000111230917 851592787 /nfs/dbraw/zinc/59/27/87/851592787.db2.gz ZFXZIGPRURWOHY-JOCHJYFZSA-N 2 1 381.564 3.711 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000515877298 851595529 /nfs/dbraw/zinc/59/55/29/851595529.db2.gz DWUGFBRRUJQHBI-VXKWHMMOSA-N 2 1 383.580 3.586 20 0 GHADMP CC[NH+](CC)Cc1ccc(Br)cc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168374716 851628522 /nfs/dbraw/zinc/62/85/22/851628522.db2.gz RBFDCICHEGRQPR-QGZVFWFLSA-N 2 1 396.373 3.566 20 0 GHADMP CC[NH+](CC)Cc1ccc(Br)cc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168374716 851628529 /nfs/dbraw/zinc/62/85/29/851628529.db2.gz RBFDCICHEGRQPR-QGZVFWFLSA-N 2 1 396.373 3.566 20 0 GHADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(Br)c1 ZINC001167973766 851675892 /nfs/dbraw/zinc/67/58/92/851675892.db2.gz MZMNCWAPIVKBTI-RAFMOHDBSA-N 2 1 393.369 3.868 20 0 GHADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(Br)c1 ZINC001167973766 851675900 /nfs/dbraw/zinc/67/59/00/851675900.db2.gz MZMNCWAPIVKBTI-RAFMOHDBSA-N 2 1 393.369 3.868 20 0 GHADMP CC[C@@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001167977282 851915286 /nfs/dbraw/zinc/91/52/86/851915286.db2.gz AZSISOWCKVMGNW-SOUXKNCUSA-N 2 1 377.573 3.771 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000517511486 852063899 /nfs/dbraw/zinc/06/38/99/852063899.db2.gz ZSGSQNKQAGYFLQ-SIKLNZKXSA-N 2 1 380.621 3.650 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438185790 852117594 /nfs/dbraw/zinc/11/75/94/852117594.db2.gz FBZYIMCJDIHWJI-RCTAOEEJSA-N 2 1 378.560 3.870 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438185790 852117625 /nfs/dbraw/zinc/11/76/25/852117625.db2.gz FBZYIMCJDIHWJI-RCTAOEEJSA-N 2 1 378.560 3.870 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000489233963 852152054 /nfs/dbraw/zinc/15/20/54/852152054.db2.gz RDHKAWKIEZOQPJ-XMSQKQJNSA-N 2 1 382.552 3.629 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000516162602 852204398 /nfs/dbraw/zinc/20/43/98/852204398.db2.gz QDCYNBMBONADOA-QIJUGHKUSA-N 2 1 386.584 3.632 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(C[NH+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000489355349 852263128 /nfs/dbraw/zinc/26/31/28/852263128.db2.gz CANGHPXRNQMWDW-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c(C[NH+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489355349 852263141 /nfs/dbraw/zinc/26/31/41/852263141.db2.gz CANGHPXRNQMWDW-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(C[NH+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489355349 852263152 /nfs/dbraw/zinc/26/31/52/852263152.db2.gz CANGHPXRNQMWDW-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP Cc1c2cc(Cl)ccc2oc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516207800 852289374 /nfs/dbraw/zinc/28/93/74/852289374.db2.gz XJIKRGIDVVZSPT-UHFFFAOYSA-N 2 1 384.867 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000506917242 852331293 /nfs/dbraw/zinc/33/12/93/852331293.db2.gz LPNNDOGBNCZPPR-SJBKTWHCSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000489448425 852364478 /nfs/dbraw/zinc/36/44/78/852364478.db2.gz RRKCKFWFLPGOMS-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000489448425 852364488 /nfs/dbraw/zinc/36/44/88/852364488.db2.gz RRKCKFWFLPGOMS-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000489448425 852364496 /nfs/dbraw/zinc/36/44/96/852364496.db2.gz RRKCKFWFLPGOMS-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP CCOc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000489657985 852511410 /nfs/dbraw/zinc/51/14/10/852511410.db2.gz HVZOWNSPOVANQI-UHFFFAOYSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000489657985 852511412 /nfs/dbraw/zinc/51/14/12/852511412.db2.gz HVZOWNSPOVANQI-UHFFFAOYSA-N 2 1 395.547 3.868 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000438549990 852561570 /nfs/dbraw/zinc/56/15/70/852561570.db2.gz HHHZTHLHRVPWHC-QHCPKHFHSA-N 2 1 383.580 3.561 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000438549990 852561580 /nfs/dbraw/zinc/56/15/80/852561580.db2.gz HHHZTHLHRVPWHC-QHCPKHFHSA-N 2 1 383.580 3.561 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000438549990 852561591 /nfs/dbraw/zinc/56/15/91/852561591.db2.gz HHHZTHLHRVPWHC-QHCPKHFHSA-N 2 1 383.580 3.561 20 0 GHADMP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000517892445 852583752 /nfs/dbraw/zinc/58/37/52/852583752.db2.gz OSCLAVWEHDCOGD-NRFANRHFSA-N 2 1 396.922 3.661 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[N@H+](C4CCC4)C[C@H](C)C3)CC2)CC1 ZINC000489788279 852587457 /nfs/dbraw/zinc/58/74/57/852587457.db2.gz PQRBWGQTWSBVSM-YMISUZCDSA-N 2 1 390.616 3.545 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[NH+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000489844598 852604581 /nfs/dbraw/zinc/60/45/81/852604581.db2.gz YGUIKISJBYOGNM-XBYSBRQOSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000489844598 852604586 /nfs/dbraw/zinc/60/45/86/852604586.db2.gz YGUIKISJBYOGNM-XBYSBRQOSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000489844598 852604590 /nfs/dbraw/zinc/60/45/90/852604590.db2.gz YGUIKISJBYOGNM-XBYSBRQOSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000489850761 852607253 /nfs/dbraw/zinc/60/72/53/852607253.db2.gz VCJFTCTZWWDUEL-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000489861319 852614135 /nfs/dbraw/zinc/61/41/35/852614135.db2.gz VIFWCJYOMDLADD-QAPCUYQASA-N 2 1 384.351 3.860 20 0 GHADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000489861319 852614140 /nfs/dbraw/zinc/61/41/40/852614140.db2.gz VIFWCJYOMDLADD-QAPCUYQASA-N 2 1 384.351 3.860 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000427063806 852668444 /nfs/dbraw/zinc/66/84/44/852668444.db2.gz ZEYPUZORLUDDAO-GGAORHGYSA-N 2 1 381.564 3.761 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167984757 852676351 /nfs/dbraw/zinc/67/63/51/852676351.db2.gz QWYCGCIQCKBRAC-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167984757 852676359 /nfs/dbraw/zinc/67/63/59/852676359.db2.gz QWYCGCIQCKBRAC-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167984757 852676368 /nfs/dbraw/zinc/67/63/68/852676368.db2.gz QWYCGCIQCKBRAC-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP C[C@H]1C[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000507292960 852766689 /nfs/dbraw/zinc/76/66/89/852766689.db2.gz WIHDWRKZNTYSLK-KXTWHKPSSA-N 2 1 377.617 3.713 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598779 852781587 /nfs/dbraw/zinc/78/15/87/852781587.db2.gz HYVNMHDSEDRKEM-KMDXXIMOSA-N 2 1 397.607 3.541 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598779 852781591 /nfs/dbraw/zinc/78/15/91/852781591.db2.gz HYVNMHDSEDRKEM-KMDXXIMOSA-N 2 1 397.607 3.541 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc2C1 ZINC000490171664 852805080 /nfs/dbraw/zinc/80/50/80/852805080.db2.gz GSBKKKUZSQICSY-VWLOTQADSA-N 2 1 391.559 3.777 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000507381943 852864401 /nfs/dbraw/zinc/86/44/01/852864401.db2.gz PJPXBMPOLZNQRV-QFIPXVFZSA-N 2 1 386.584 3.594 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000490283892 852896444 /nfs/dbraw/zinc/89/64/44/852896444.db2.gz FOHXVCBMOBMUFG-CQSZACIVSA-N 2 1 388.313 3.881 20 0 GHADMP C[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)[C@H]1c1ccccc1 ZINC000507535447 852996303 /nfs/dbraw/zinc/99/63/03/852996303.db2.gz VIOGIAGRIZEVRG-MBWGTIHESA-N 2 1 375.560 3.932 20 0 GHADMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H]1c1ccccc1 ZINC000507535447 852996308 /nfs/dbraw/zinc/99/63/08/852996308.db2.gz VIOGIAGRIZEVRG-MBWGTIHESA-N 2 1 375.560 3.932 20 0 GHADMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H]1c1ccccc1 ZINC000507535447 852996315 /nfs/dbraw/zinc/99/63/15/852996315.db2.gz VIOGIAGRIZEVRG-MBWGTIHESA-N 2 1 375.560 3.932 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H]1c1ccccc1 ZINC000507535447 852996321 /nfs/dbraw/zinc/99/63/21/852996321.db2.gz VIOGIAGRIZEVRG-MBWGTIHESA-N 2 1 375.560 3.932 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H]1c1ccccc1 ZINC000507535447 852996328 /nfs/dbraw/zinc/99/63/28/852996328.db2.gz VIOGIAGRIZEVRG-MBWGTIHESA-N 2 1 375.560 3.932 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1O ZINC000490401022 853012155 /nfs/dbraw/zinc/01/21/55/853012155.db2.gz NVPLNOUJXDRUBD-UHFFFAOYSA-N 2 1 385.346 3.717 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483942 853266784 /nfs/dbraw/zinc/26/67/84/853266784.db2.gz CZEROTNUDBMINQ-MOPGFXCFSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483942 853266787 /nfs/dbraw/zinc/26/67/87/853266787.db2.gz CZEROTNUDBMINQ-MOPGFXCFSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483942 853266789 /nfs/dbraw/zinc/26/67/89/853266789.db2.gz CZEROTNUDBMINQ-MOPGFXCFSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437582786 853297843 /nfs/dbraw/zinc/29/78/43/853297843.db2.gz NYASZUMSXVROHR-WMZHIEFXSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437582786 853297849 /nfs/dbraw/zinc/29/78/49/853297849.db2.gz NYASZUMSXVROHR-WMZHIEFXSA-N 2 1 377.532 3.603 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000517041505 853298547 /nfs/dbraw/zinc/29/85/47/853298547.db2.gz AOPZPPGCJPTAKU-OAQYLSRUSA-N 2 1 380.536 3.577 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000491078307 853419067 /nfs/dbraw/zinc/41/90/67/853419067.db2.gz VJBMNPRLEXEJSO-QHCPKHFHSA-N 2 1 382.548 3.579 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC000491152362 853472844 /nfs/dbraw/zinc/47/28/44/853472844.db2.gz ZFBRBOGJQLUWFU-JLMWRMLUSA-N 2 1 386.584 3.502 20 0 GHADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414998606 853652370 /nfs/dbraw/zinc/65/23/70/853652370.db2.gz IIBOFHDSSDBYIQ-WMZHIEFXSA-N 2 1 378.495 3.803 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000760659568 853689651 /nfs/dbraw/zinc/68/96/51/853689651.db2.gz ZVSGIMSGNSNFJB-KDURUIRLSA-N 2 1 381.605 3.981 20 0 GHADMP COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)C2 ZINC000425935571 853703192 /nfs/dbraw/zinc/70/31/92/853703192.db2.gz JBCXUADUVQRKAW-GCJKJVERSA-N 2 1 380.532 3.563 20 0 GHADMP COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)C2 ZINC000425935571 853703199 /nfs/dbraw/zinc/70/31/99/853703199.db2.gz JBCXUADUVQRKAW-GCJKJVERSA-N 2 1 380.532 3.563 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000760668706 853940467 /nfs/dbraw/zinc/94/04/67/853940467.db2.gz FUIOXXWSJNFNFR-UHFFFAOYSA-N 2 1 375.557 3.875 20 0 GHADMP CCOC[C@@H]1COCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167992083 854280037 /nfs/dbraw/zinc/28/00/37/854280037.db2.gz HBBMYBFBTRLITM-IZCSPVGOSA-N 2 1 376.585 3.547 20 0 GHADMP CCOC[C@@H]1COCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167992083 854280045 /nfs/dbraw/zinc/28/00/45/854280045.db2.gz HBBMYBFBTRLITM-IZCSPVGOSA-N 2 1 376.585 3.547 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000112660104 854284869 /nfs/dbraw/zinc/28/48/69/854284869.db2.gz QMIHSJPOIOPZBQ-HXUWFJFHSA-N 2 1 385.552 3.662 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000112660104 854284878 /nfs/dbraw/zinc/28/48/78/854284878.db2.gz QMIHSJPOIOPZBQ-HXUWFJFHSA-N 2 1 385.552 3.662 20 0 GHADMP O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167993266 854350957 /nfs/dbraw/zinc/35/09/57/854350957.db2.gz NKGHLZSYKIWOLO-HNTVYWHESA-N 2 1 393.575 3.530 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000588686235 854357974 /nfs/dbraw/zinc/35/79/74/854357974.db2.gz AQQOVULBRCREOI-QGZVFWFLSA-N 2 1 389.952 3.575 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000588686235 854357978 /nfs/dbraw/zinc/35/79/78/854357978.db2.gz AQQOVULBRCREOI-QGZVFWFLSA-N 2 1 389.952 3.575 20 0 GHADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710191 854368589 /nfs/dbraw/zinc/36/85/89/854368589.db2.gz RCDKZMQIMIXNQB-OALUTQOASA-N 2 1 387.568 3.570 20 0 GHADMP CCN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473950980 854395893 /nfs/dbraw/zinc/39/58/93/854395893.db2.gz LSQBDDYCFSSHMM-DENIHFKCSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000572119228 854399720 /nfs/dbraw/zinc/39/97/20/854399720.db2.gz POIYPVZRHXVMHX-UNMCSNQZSA-N 2 1 383.580 3.527 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC[C@@H]1CCCC1(C)C ZINC000458879332 854405819 /nfs/dbraw/zinc/40/58/19/854405819.db2.gz NEKZTIREOIISOE-FQEVSTJZSA-N 2 1 392.632 3.650 20 0 GHADMP CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473962754 854428294 /nfs/dbraw/zinc/42/82/94/854428294.db2.gz GMJADBBFNJZXDA-IPJJNNNSSA-N 2 1 397.567 3.695 20 0 GHADMP CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473962754 854428299 /nfs/dbraw/zinc/42/82/99/854428299.db2.gz GMJADBBFNJZXDA-IPJJNNNSSA-N 2 1 397.567 3.695 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000482020472 862615415 /nfs/dbraw/zinc/61/54/15/862615415.db2.gz YRCHTLFANOIRQP-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)o1 ZINC000482020472 862615420 /nfs/dbraw/zinc/61/54/20/862615420.db2.gz YRCHTLFANOIRQP-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000482020472 862615424 /nfs/dbraw/zinc/61/54/24/862615424.db2.gz YRCHTLFANOIRQP-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000482020472 862615430 /nfs/dbraw/zinc/61/54/30/862615430.db2.gz YRCHTLFANOIRQP-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000624053663 862615510 /nfs/dbraw/zinc/61/55/10/862615510.db2.gz LPMACGUMZGDSTN-UHOSZYNNSA-N 2 1 392.469 3.972 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000624053663 862615515 /nfs/dbraw/zinc/61/55/15/862615515.db2.gz LPMACGUMZGDSTN-UHOSZYNNSA-N 2 1 392.469 3.972 20 0 GHADMP Cc1oc(-c2ccccc2)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000624548327 854892067 /nfs/dbraw/zinc/89/20/67/854892067.db2.gz LJOBGUUIUQXAOY-UHFFFAOYSA-N 2 1 376.460 3.654 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536353138 855039632 /nfs/dbraw/zinc/03/96/32/855039632.db2.gz FQXRHCMQTOTTAN-ZCNNSNEGSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536353138 855039642 /nfs/dbraw/zinc/03/96/42/855039642.db2.gz FQXRHCMQTOTTAN-ZCNNSNEGSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536353138 855039649 /nfs/dbraw/zinc/03/96/49/855039649.db2.gz FQXRHCMQTOTTAN-ZCNNSNEGSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536353138 855039662 /nfs/dbraw/zinc/03/96/62/855039662.db2.gz FQXRHCMQTOTTAN-ZCNNSNEGSA-N 2 1 392.975 3.601 20 0 GHADMP COc1ccc([C@H]2C[C@H]([NH+]3CCC([NH3+])(c4ccccc4OC)CC3)CCO2)cc1 ZINC001168616715 855057416 /nfs/dbraw/zinc/05/74/16/855057416.db2.gz OCHBSLFCGLVUCL-AUSIDOKSSA-N 2 1 396.531 3.874 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(C)c1C ZINC000589735521 855128848 /nfs/dbraw/zinc/12/88/48/855128848.db2.gz RQRDOSCZCDDAJH-UEVCKROQSA-N 2 1 395.547 3.510 20 0 GHADMP CCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168395091 855159049 /nfs/dbraw/zinc/15/90/49/855159049.db2.gz LLPFJDMHHNLQMU-IBGZPJMESA-N 2 1 379.589 3.830 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([N@@H+](C3CCOCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168626044 855170450 /nfs/dbraw/zinc/17/04/50/855170450.db2.gz WKEYNQFQLLYLFD-YDWJEQILSA-N 2 1 388.552 3.666 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000589950615 855203078 /nfs/dbraw/zinc/20/30/78/855203078.db2.gz FCACGNUWMLHQND-IFMALSPDSA-N 2 1 387.543 3.515 20 0 GHADMP Cc1cc(F)cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001143585466 855336503 /nfs/dbraw/zinc/33/65/03/855336503.db2.gz APAAAIXGSGQXGY-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)c2)CC1 ZINC000590347132 855376049 /nfs/dbraw/zinc/37/60/49/855376049.db2.gz PPFRSZCRGFEEQA-NRFANRHFSA-N 2 1 398.551 3.614 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190605030 855508581 /nfs/dbraw/zinc/50/85/81/855508581.db2.gz VTIVITJAXVEAGJ-PBHICJAKSA-N 2 1 387.387 3.788 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000520498129 855509810 /nfs/dbraw/zinc/50/98/10/855509810.db2.gz USUZCBUEEGIYQH-KNQAVFIVSA-N 2 1 379.548 3.897 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000465707817 855636509 /nfs/dbraw/zinc/63/65/09/855636509.db2.gz APSIRRWAFKONAI-MOPGFXCFSA-N 2 1 394.629 3.893 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180998098 862711080 /nfs/dbraw/zinc/71/10/80/862711080.db2.gz OEGXQUYIAMIWIT-HXUWFJFHSA-N 2 1 378.472 3.928 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180998098 862711089 /nfs/dbraw/zinc/71/10/89/862711089.db2.gz OEGXQUYIAMIWIT-HXUWFJFHSA-N 2 1 378.472 3.928 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000482139616 862727111 /nfs/dbraw/zinc/72/71/11/862727111.db2.gz PPXFPWCYJRFSTP-LNLFQRSKSA-N 2 1 391.556 3.521 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3nc(C(C)C)n4ccccc34)CC2)nc(C)[nH+]1 ZINC000573125848 855853748 /nfs/dbraw/zinc/85/37/48/855853748.db2.gz VTOOPTJDNUFONW-UHFFFAOYSA-N 2 1 378.524 3.623 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474798916 855928640 /nfs/dbraw/zinc/92/86/40/855928640.db2.gz MFSMQCIXUMCFIP-ACAXCVFMSA-N 2 1 384.486 3.970 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474798916 855928651 /nfs/dbraw/zinc/92/86/51/855928651.db2.gz MFSMQCIXUMCFIP-ACAXCVFMSA-N 2 1 384.486 3.970 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000485008186 855983909 /nfs/dbraw/zinc/98/39/09/855983909.db2.gz LCBKIUHSLGSHQE-MOPGFXCFSA-N 2 1 390.572 3.744 20 0 GHADMP Fc1cc2[nH]cc(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2cc1Cl ZINC000624291054 856009251 /nfs/dbraw/zinc/00/92/51/856009251.db2.gz KXBULLJHMXGAKS-MRXNPFEDSA-N 2 1 379.907 3.736 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000674030589 862775216 /nfs/dbraw/zinc/77/52/16/862775216.db2.gz TVHCACIMVPPLEJ-OAQYLSRUSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000060367682 856281513 /nfs/dbraw/zinc/28/15/13/856281513.db2.gz YRZQTTOGMTUPJQ-UYAOXDASSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000060367682 856281518 /nfs/dbraw/zinc/28/15/18/856281518.db2.gz YRZQTTOGMTUPJQ-UYAOXDASSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000060367682 856281524 /nfs/dbraw/zinc/28/15/24/856281524.db2.gz YRZQTTOGMTUPJQ-UYAOXDASSA-N 2 1 389.559 3.664 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c2ccccc2[nH+]1 ZINC000041873073 856332664 /nfs/dbraw/zinc/33/26/64/856332664.db2.gz AMOYDHPZIBHXGV-UHFFFAOYSA-N 2 1 375.472 3.637 20 0 GHADMP Nc1ccnc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000520752047 856341369 /nfs/dbraw/zinc/34/13/69/856341369.db2.gz TVGBDQAGMRROPO-OAQYLSRUSA-N 2 1 379.552 3.546 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC[C@H]21 ZINC000485324261 856364319 /nfs/dbraw/zinc/36/43/19/856364319.db2.gz RDNKRVRVACVJKJ-TXTKFYIRSA-N 2 1 397.588 3.760 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC[C@H]21 ZINC000485324261 856364327 /nfs/dbraw/zinc/36/43/27/856364327.db2.gz RDNKRVRVACVJKJ-TXTKFYIRSA-N 2 1 397.588 3.760 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC[C@H]21 ZINC000485324261 856364335 /nfs/dbraw/zinc/36/43/35/856364335.db2.gz RDNKRVRVACVJKJ-TXTKFYIRSA-N 2 1 397.588 3.760 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639125023 856382556 /nfs/dbraw/zinc/38/25/56/856382556.db2.gz XYLGRKACVXQIJV-VWNXMTODSA-N 2 1 385.596 3.773 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397162 856443097 /nfs/dbraw/zinc/44/30/97/856443097.db2.gz RXWIZKGFFGUFJG-PWWKTKHKSA-N 2 1 396.575 3.736 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397162 856443105 /nfs/dbraw/zinc/44/31/05/856443105.db2.gz RXWIZKGFFGUFJG-PWWKTKHKSA-N 2 1 396.575 3.736 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000485435303 856518416 /nfs/dbraw/zinc/51/84/16/856518416.db2.gz GWGOCGNVNJNNFB-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000485435303 856518481 /nfs/dbraw/zinc/51/84/81/856518481.db2.gz GWGOCGNVNJNNFB-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000485435303 856518537 /nfs/dbraw/zinc/51/85/37/856518537.db2.gz GWGOCGNVNJNNFB-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP O=C(Nc1nc(CN2CCCCC2)cs1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043517520 856537790 /nfs/dbraw/zinc/53/77/90/856537790.db2.gz MONYWBWUYRRVBP-GOSISDBHSA-N 2 1 399.564 3.525 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)c(C)c4ncccc34)CC2)CC1 ZINC000573860716 856578928 /nfs/dbraw/zinc/57/89/28/856578928.db2.gz NEIXWCDMOWPXJO-UHFFFAOYSA-N 2 1 394.563 3.986 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)CC(F)(F)F)cc1 ZINC000542883270 856601952 /nfs/dbraw/zinc/60/19/52/856601952.db2.gz OMEXRGXIKUXPLU-OAHLLOKOSA-N 2 1 396.457 3.878 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000542885204 856651869 /nfs/dbraw/zinc/65/18/69/856651869.db2.gz UZSVPVREKIRADZ-MGPUTAFESA-N 2 1 385.895 3.925 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000429236863 856683061 /nfs/dbraw/zinc/68/30/61/856683061.db2.gz MVSLTVUVDUCSFJ-IBGZPJMESA-N 2 1 386.515 3.801 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000429236863 856683070 /nfs/dbraw/zinc/68/30/70/856683070.db2.gz MVSLTVUVDUCSFJ-IBGZPJMESA-N 2 1 386.515 3.801 20 0 GHADMP C[N@@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605148883 862832422 /nfs/dbraw/zinc/83/24/22/862832422.db2.gz LDVHZXDHTYNZMA-PBHICJAKSA-N 2 1 389.425 3.894 20 0 GHADMP C[N@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605148883 862832427 /nfs/dbraw/zinc/83/24/27/862832427.db2.gz LDVHZXDHTYNZMA-PBHICJAKSA-N 2 1 389.425 3.894 20 0 GHADMP COCCOCc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000574002998 856851547 /nfs/dbraw/zinc/85/15/47/856851547.db2.gz SOLGMGZNZSVRKU-RUZDIDTESA-N 2 1 394.559 3.948 20 0 GHADMP COCCOCc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574002998 856851556 /nfs/dbraw/zinc/85/15/56/856851556.db2.gz SOLGMGZNZSVRKU-RUZDIDTESA-N 2 1 394.559 3.948 20 0 GHADMP COCCOCc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574002998 856851563 /nfs/dbraw/zinc/85/15/63/856851563.db2.gz SOLGMGZNZSVRKU-RUZDIDTESA-N 2 1 394.559 3.948 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000665254013 857024621 /nfs/dbraw/zinc/02/46/21/857024621.db2.gz FZZSITDSZYWUPR-NLSFWIRASA-N 2 1 385.527 3.562 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000508203689 857066239 /nfs/dbraw/zinc/06/62/39/857066239.db2.gz IQRBJJLVZNWYGE-HDAAZOAOSA-N 2 1 387.568 3.600 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000675191978 857073472 /nfs/dbraw/zinc/07/34/72/857073472.db2.gz SBKFWTLPUWNKGK-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000675191978 857073479 /nfs/dbraw/zinc/07/34/79/857073479.db2.gz SBKFWTLPUWNKGK-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCCC1)c1ccccc1 ZINC000485782008 857088092 /nfs/dbraw/zinc/08/80/92/857088092.db2.gz ZVKYFHFLBWOTQT-NNWRFLSQSA-N 2 1 398.595 3.776 20 0 GHADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185684 862872393 /nfs/dbraw/zinc/87/23/93/862872393.db2.gz MYIWBBCKZJHUCG-QFBILLFUSA-N 2 1 385.474 3.546 20 0 GHADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185684 862872407 /nfs/dbraw/zinc/87/24/07/862872407.db2.gz MYIWBBCKZJHUCG-QFBILLFUSA-N 2 1 385.474 3.546 20 0 GHADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185684 862872426 /nfs/dbraw/zinc/87/24/26/862872426.db2.gz MYIWBBCKZJHUCG-QFBILLFUSA-N 2 1 385.474 3.546 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428147697 857153052 /nfs/dbraw/zinc/15/30/52/857153052.db2.gz UAOXQYGVBGJSJO-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C1CCCCC1 ZINC000592955325 857153549 /nfs/dbraw/zinc/15/35/49/857153549.db2.gz LULVNKHYCRRPCT-QGZVFWFLSA-N 2 1 395.551 3.736 20 0 GHADMP CCCCc1oc2ccccc2c1C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042503491 857405003 /nfs/dbraw/zinc/40/50/03/857405003.db2.gz MMMSOYAOEQDOEL-UHFFFAOYSA-N 2 1 397.563 3.950 20 0 GHADMP CCCCc1oc2ccccc2c1C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000042503491 857405011 /nfs/dbraw/zinc/40/50/11/857405011.db2.gz MMMSOYAOEQDOEL-UHFFFAOYSA-N 2 1 397.563 3.950 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061309 857405397 /nfs/dbraw/zinc/40/53/97/857405397.db2.gz FGZMEGBQAAULTH-JOCHJYFZSA-N 2 1 397.538 3.676 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061309 857405401 /nfs/dbraw/zinc/40/54/01/857405401.db2.gz FGZMEGBQAAULTH-JOCHJYFZSA-N 2 1 397.538 3.676 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061309 857405403 /nfs/dbraw/zinc/40/54/03/857405403.db2.gz FGZMEGBQAAULTH-JOCHJYFZSA-N 2 1 397.538 3.676 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000675536361 857489354 /nfs/dbraw/zinc/48/93/54/857489354.db2.gz GLPCYJIDGRUBDI-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000061113873 857497311 /nfs/dbraw/zinc/49/73/11/857497311.db2.gz NCPVTZHYJUIAKI-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CCCCc1oc2ccccc2c1C[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000061799436 857544297 /nfs/dbraw/zinc/54/42/97/857544297.db2.gz GRZHJLVKTCFKGK-UHFFFAOYSA-N 2 1 385.552 3.808 20 0 GHADMP CCCCc1oc2ccccc2c1C[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000061799436 857544302 /nfs/dbraw/zinc/54/43/02/857544302.db2.gz GRZHJLVKTCFKGK-UHFFFAOYSA-N 2 1 385.552 3.808 20 0 GHADMP Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C[N@H+](C)C(C)C)cc3)CC2)c1 ZINC000063467043 857620128 /nfs/dbraw/zinc/62/01/28/857620128.db2.gz WVYRAFXFCJGSBH-UHFFFAOYSA-N 2 1 394.563 3.596 20 0 GHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593728709 857669486 /nfs/dbraw/zinc/66/94/86/857669486.db2.gz DADWXTIBRDCQQU-QGTPRVQTSA-N 2 1 388.533 3.549 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000922140572 858041207 /nfs/dbraw/zinc/04/12/07/858041207.db2.gz KHKYJHGJOAXZPO-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000922140572 858041216 /nfs/dbraw/zinc/04/12/16/858041216.db2.gz KHKYJHGJOAXZPO-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC(C[N@H+](C)C(C)C)CC3)C2=O)c1 ZINC000605316531 862983779 /nfs/dbraw/zinc/98/37/79/862983779.db2.gz LABFXJJLTJQXBO-FQEVSTJZSA-N 2 1 375.532 3.682 20 0 GHADMP COCCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442772319 858114101 /nfs/dbraw/zinc/11/41/01/858114101.db2.gz VNQKVEWUFOGGEU-XZOQPEGZSA-N 2 1 386.511 3.520 20 0 GHADMP COCCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442772319 858114107 /nfs/dbraw/zinc/11/41/07/858114107.db2.gz VNQKVEWUFOGGEU-XZOQPEGZSA-N 2 1 386.511 3.520 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000574689695 858163233 /nfs/dbraw/zinc/16/32/33/858163233.db2.gz PMSIPQDNYJHPHL-WPFOTENUSA-N 2 1 393.531 3.569 20 0 GHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000442879477 858201403 /nfs/dbraw/zinc/20/14/03/858201403.db2.gz WJCHYAWRYPCXTL-FQEVSTJZSA-N 2 1 381.564 3.942 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000442923175 858246397 /nfs/dbraw/zinc/24/63/97/858246397.db2.gz QCZDZDQOKOQXNS-SFHVURJKSA-N 2 1 384.520 3.844 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574988934 858485758 /nfs/dbraw/zinc/48/57/58/858485758.db2.gz VRRCWSQWJRQVLW-JOCHJYFZSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574988934 858485764 /nfs/dbraw/zinc/48/57/64/858485764.db2.gz VRRCWSQWJRQVLW-JOCHJYFZSA-N 2 1 383.580 3.810 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000521958548 858485981 /nfs/dbraw/zinc/48/59/81/858485981.db2.gz MXLGKYAYKVPCLD-RTBURBONSA-N 2 1 390.572 3.649 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000067413548 858559194 /nfs/dbraw/zinc/55/91/94/858559194.db2.gz ORRGRIUKXBCHIS-UHFFFAOYSA-N 2 1 396.579 3.932 20 0 GHADMP O=C(N1CCC([NH+]2CCCCC2)CC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443331445 858560410 /nfs/dbraw/zinc/56/04/10/858560410.db2.gz VOOZZGQYKCJONK-RCZVLFRGSA-N 2 1 395.591 3.766 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)c1 ZINC000522044005 858565557 /nfs/dbraw/zinc/56/55/57/858565557.db2.gz GKBRUMWULCAFMS-XXBNENTESA-N 2 1 394.563 3.773 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000522044005 858565559 /nfs/dbraw/zinc/56/55/59/858565559.db2.gz GKBRUMWULCAFMS-XXBNENTESA-N 2 1 394.563 3.773 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000079597569 858587377 /nfs/dbraw/zinc/58/73/77/858587377.db2.gz YBPDGMDJSCHTHI-UHFFFAOYSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000157623128 858657144 /nfs/dbraw/zinc/65/71/44/858657144.db2.gz RQFHMAKENXYYNT-OALUTQOASA-N 2 1 390.535 3.745 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000157651805 858691999 /nfs/dbraw/zinc/69/19/99/858691999.db2.gz KYRUKRYULUAZNT-OALUTQOASA-N 2 1 390.535 3.888 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168019178 858764120 /nfs/dbraw/zinc/76/41/20/858764120.db2.gz HHINKTLFJQNBQP-HATOLVCRSA-N 2 1 383.536 3.638 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168019178 858764124 /nfs/dbraw/zinc/76/41/24/858764124.db2.gz HHINKTLFJQNBQP-HATOLVCRSA-N 2 1 383.536 3.638 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2C)cc1 ZINC000183676821 858793807 /nfs/dbraw/zinc/79/38/07/858793807.db2.gz VEPRNWSUMOXWMR-OALUTQOASA-N 2 1 390.531 3.887 20 0 GHADMP CCOc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183681500 858794580 /nfs/dbraw/zinc/79/45/80/858794580.db2.gz CKQNJPLNCXSZLA-UTKZUKDTSA-N 2 1 395.503 3.670 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000183683758 858795507 /nfs/dbraw/zinc/79/55/07/858795507.db2.gz CDJKFVBNSFRSDO-ZDUSSCGKSA-N 2 1 398.536 3.619 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522223411 858846519 /nfs/dbraw/zinc/84/65/19/858846519.db2.gz VTKASPXYSGCESF-OAQYLSRUSA-N 2 1 378.520 3.528 20 0 GHADMP CN(C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126943871 858921769 /nfs/dbraw/zinc/92/17/69/858921769.db2.gz IVVUSTBCTKKCPK-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001126943871 858921779 /nfs/dbraw/zinc/92/17/79/858921779.db2.gz IVVUSTBCTKKCPK-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001126943871 858921783 /nfs/dbraw/zinc/92/17/83/858921783.db2.gz IVVUSTBCTKKCPK-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482862282 858926510 /nfs/dbraw/zinc/92/65/10/858926510.db2.gz DGZSYUSNMVXYRL-QGZVFWFLSA-N 2 1 377.598 3.780 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000482894347 858957113 /nfs/dbraw/zinc/95/71/13/858957113.db2.gz RBYWVCCQSPXZMP-SVFBPWRDSA-N 2 1 378.532 3.687 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429686624 859005846 /nfs/dbraw/zinc/00/58/46/859005846.db2.gz OZXDARJNVROVCE-QLBJFCOMSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429686624 859005857 /nfs/dbraw/zinc/00/58/57/859005857.db2.gz OZXDARJNVROVCE-QLBJFCOMSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429686624 859005867 /nfs/dbraw/zinc/00/58/67/859005867.db2.gz OZXDARJNVROVCE-QLBJFCOMSA-N 2 1 399.623 3.864 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc2c(Br)cccc12 ZINC000429325155 859035812 /nfs/dbraw/zinc/03/58/12/859035812.db2.gz CMPKXDWXBFARLC-UHFFFAOYSA-N 2 1 390.369 3.672 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(SC)s3)C2)ccn1 ZINC000856551619 881374311 /nfs/dbraw/zinc/37/43/11/881374311.db2.gz VNNIUSRKBMRBCS-QGZVFWFLSA-N 2 1 377.579 3.970 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(SC)s3)C2)ccn1 ZINC000856551619 881374329 /nfs/dbraw/zinc/37/43/29/881374329.db2.gz VNNIUSRKBMRBCS-QGZVFWFLSA-N 2 1 377.579 3.970 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(SC)s3)C2)ccn1 ZINC000856551619 881374348 /nfs/dbraw/zinc/37/43/48/881374348.db2.gz VNNIUSRKBMRBCS-QGZVFWFLSA-N 2 1 377.579 3.970 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c4cccnc34)C2)ccn1 ZINC000856552011 881374960 /nfs/dbraw/zinc/37/49/60/881374960.db2.gz FPHPOLRUKHDAOK-FQEVSTJZSA-N 2 1 394.494 3.874 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)c4cccnc34)C2)ccn1 ZINC000856552011 881374980 /nfs/dbraw/zinc/37/49/80/881374980.db2.gz FPHPOLRUKHDAOK-FQEVSTJZSA-N 2 1 394.494 3.874 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)ccn1 ZINC000856552011 881374998 /nfs/dbraw/zinc/37/49/98/881374998.db2.gz FPHPOLRUKHDAOK-FQEVSTJZSA-N 2 1 394.494 3.874 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000483006003 859054845 /nfs/dbraw/zinc/05/48/45/859054845.db2.gz LPOVKHVELUCJAI-OXQOHEQNSA-N 2 1 377.960 3.714 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000483006003 859054853 /nfs/dbraw/zinc/05/48/53/859054853.db2.gz LPOVKHVELUCJAI-OXQOHEQNSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466301955 859058695 /nfs/dbraw/zinc/05/86/95/859058695.db2.gz ZIXZUIRTUNSBJL-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466301955 859058700 /nfs/dbraw/zinc/05/87/00/859058700.db2.gz ZIXZUIRTUNSBJL-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466301955 859058703 /nfs/dbraw/zinc/05/87/03/859058703.db2.gz ZIXZUIRTUNSBJL-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185660526 859113314 /nfs/dbraw/zinc/11/33/14/859113314.db2.gz LYZQRUNYNJANJB-XYJFISCASA-N 2 1 377.960 3.760 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185660526 859113322 /nfs/dbraw/zinc/11/33/22/859113322.db2.gz LYZQRUNYNJANJB-XYJFISCASA-N 2 1 377.960 3.760 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185676308 859116103 /nfs/dbraw/zinc/11/61/03/859116103.db2.gz FPRJZPBGGTWPEI-ZEYPLWLESA-N 2 1 382.548 3.822 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711653 859119302 /nfs/dbraw/zinc/11/93/02/859119302.db2.gz JKCNOOMQBBEQSH-XYJFISCASA-N 2 1 393.522 3.727 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711653 859119306 /nfs/dbraw/zinc/11/93/06/859119306.db2.gz JKCNOOMQBBEQSH-XYJFISCASA-N 2 1 393.522 3.727 20 0 GHADMP CCCC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000185714033 859120679 /nfs/dbraw/zinc/12/06/79/859120679.db2.gz JQKAARJTTZUKQR-SCTDSRPQSA-N 2 1 376.545 3.723 20 0 GHADMP CCCC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000185714033 859120683 /nfs/dbraw/zinc/12/06/83/859120683.db2.gz JQKAARJTTZUKQR-SCTDSRPQSA-N 2 1 376.545 3.723 20 0 GHADMP CCc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000189016099 881394721 /nfs/dbraw/zinc/39/47/21/881394721.db2.gz OHBJTCVSCQVVKS-PKTZIBPZSA-N 2 1 385.596 3.587 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000483207038 859222055 /nfs/dbraw/zinc/22/20/55/859222055.db2.gz VBLYTAWSXXAAOT-NHCUHLMSSA-N 2 1 375.601 3.756 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(cc2OCC)C[C@@H](C)O3)[C@@H](C)C1 ZINC000532200408 881397396 /nfs/dbraw/zinc/39/73/96/881397396.db2.gz KPYAXJZCEWVNKQ-UEXGIBASSA-N 2 1 390.568 3.635 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(cc2OCC)C[C@@H](C)O3)[C@@H](C)C1 ZINC000532200408 881397457 /nfs/dbraw/zinc/39/74/57/881397457.db2.gz KPYAXJZCEWVNKQ-UEXGIBASSA-N 2 1 390.568 3.635 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000597044078 859248619 /nfs/dbraw/zinc/24/86/19/859248619.db2.gz WCCDAWGCXYQJNW-UHFFFAOYSA-N 2 1 386.923 3.923 20 0 GHADMP COC(=O)c1ccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000597054856 859266865 /nfs/dbraw/zinc/26/68/65/859266865.db2.gz VOHJNYUSQNBJKP-IBGZPJMESA-N 2 1 386.923 3.781 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000597054856 859266876 /nfs/dbraw/zinc/26/68/76/859266876.db2.gz VOHJNYUSQNBJKP-IBGZPJMESA-N 2 1 386.923 3.781 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000597054856 859266888 /nfs/dbraw/zinc/26/68/88/859266888.db2.gz VOHJNYUSQNBJKP-IBGZPJMESA-N 2 1 386.923 3.781 20 0 GHADMP CCOc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCCOc1cccc(C)c1 ZINC000479957425 859323119 /nfs/dbraw/zinc/32/31/19/859323119.db2.gz AWBSPXNHNXBUMB-OYRHEFFESA-N 2 1 396.531 3.503 20 0 GHADMP CCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCCOc1cccc(C)c1 ZINC000479957425 859323132 /nfs/dbraw/zinc/32/31/32/859323132.db2.gz AWBSPXNHNXBUMB-OYRHEFFESA-N 2 1 396.531 3.503 20 0 GHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000543673343 859362250 /nfs/dbraw/zinc/36/22/50/859362250.db2.gz JNKORMOVQHOUFO-FNXHNPQUSA-N 2 1 398.595 3.554 20 0 GHADMP O[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)C[NH+]1CCCC1 ZINC000065274768 859469521 /nfs/dbraw/zinc/46/95/21/859469521.db2.gz QLGBHOXIFHOHBT-MRXNPFEDSA-N 2 1 395.366 3.724 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000483627767 859498903 /nfs/dbraw/zinc/49/89/03/859498903.db2.gz WVDLNISJOGPGNN-HKBOAZHASA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000903206831 859543659 /nfs/dbraw/zinc/54/36/59/859543659.db2.gz UACVASKOKVXFPQ-ZCTYVAAUSA-N 2 1 375.557 3.666 20 0 GHADMP COc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1F ZINC000856560676 881444766 /nfs/dbraw/zinc/44/47/66/881444766.db2.gz YTKRYHOTWYXENH-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1F ZINC000856560676 881444778 /nfs/dbraw/zinc/44/47/78/881444778.db2.gz YTKRYHOTWYXENH-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1F ZINC000856560676 881444786 /nfs/dbraw/zinc/44/47/86/881444786.db2.gz YTKRYHOTWYXENH-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1F ZINC000856560676 881444796 /nfs/dbraw/zinc/44/47/96/881444796.db2.gz YTKRYHOTWYXENH-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(OC)c1 ZINC000856561182 881445132 /nfs/dbraw/zinc/44/51/32/881445132.db2.gz NCDGBEZBKLKNGK-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc(OC)c1 ZINC000856561182 881445136 /nfs/dbraw/zinc/44/51/36/881445136.db2.gz NCDGBEZBKLKNGK-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc(OC)c1 ZINC000856561182 881445137 /nfs/dbraw/zinc/44/51/37/881445137.db2.gz NCDGBEZBKLKNGK-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC001168030723 859639039 /nfs/dbraw/zinc/63/90/39/859639039.db2.gz WZOPIBXEDWXMNA-IRXDYDNUSA-N 2 1 384.520 3.941 20 0 GHADMP CCC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000466468846 859644210 /nfs/dbraw/zinc/64/42/10/859644210.db2.gz LPSOMJSCULZPSZ-SFHVURJKSA-N 2 1 375.582 3.686 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000114562582 859729288 /nfs/dbraw/zinc/72/92/88/859729288.db2.gz BQVULGBUKBIRNU-UHFFFAOYSA-N 2 1 399.358 3.724 20 0 GHADMP COCc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168032921 859848222 /nfs/dbraw/zinc/84/82/22/859848222.db2.gz JHHZAIDONDAVMW-RKGYPADOSA-N 2 1 382.548 3.898 20 0 GHADMP COCc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168032921 859848231 /nfs/dbraw/zinc/84/82/31/859848231.db2.gz JHHZAIDONDAVMW-RKGYPADOSA-N 2 1 382.548 3.898 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccnc(Cl)c3s1)C2 ZINC000922389123 859870757 /nfs/dbraw/zinc/87/07/57/859870757.db2.gz HLTKKCJNEZUXQS-LFEHRJTNSA-N 2 1 379.957 3.519 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765431028 859971752 /nfs/dbraw/zinc/97/17/52/859971752.db2.gz DGEMUAVZFNRNHM-WWMYMODYSA-N 2 1 393.597 3.752 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765431027 859971859 /nfs/dbraw/zinc/97/18/59/859971859.db2.gz DGEMUAVZFNRNHM-LZJOCLMNSA-N 2 1 393.597 3.752 20 0 GHADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000499192850 881500000 /nfs/dbraw/zinc/50/00/00/881500000.db2.gz QNNFAXVXOCVQAH-YUMYIRISSA-N 2 1 378.516 3.784 20 0 GHADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000499192847 881500194 /nfs/dbraw/zinc/50/01/94/881500194.db2.gz QNNFAXVXOCVQAH-YSFYHYPLSA-N 2 1 378.516 3.784 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602629582 860183587 /nfs/dbraw/zinc/18/35/87/860183587.db2.gz LRKGLZTUPIBTLF-PXNSSMCTSA-N 2 1 399.560 3.820 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602629582 860183592 /nfs/dbraw/zinc/18/35/92/860183592.db2.gz LRKGLZTUPIBTLF-PXNSSMCTSA-N 2 1 399.560 3.820 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000765663809 860384705 /nfs/dbraw/zinc/38/47/05/860384705.db2.gz QYKPRUTUXVSQLK-QFIPXVFZSA-N 2 1 384.568 3.853 20 0 GHADMP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000904429017 860429885 /nfs/dbraw/zinc/42/98/85/860429885.db2.gz URMHKJVWDPRIOL-AAIMPIBUSA-N 2 1 389.503 3.557 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474611358 860493375 /nfs/dbraw/zinc/49/33/75/860493375.db2.gz JZZWVZJIHVLTRL-QFIPXVFZSA-N 2 1 383.511 3.923 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474611358 860493382 /nfs/dbraw/zinc/49/33/82/860493382.db2.gz JZZWVZJIHVLTRL-QFIPXVFZSA-N 2 1 383.511 3.923 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000484925143 860500728 /nfs/dbraw/zinc/50/07/28/860500728.db2.gz YSMLJQJMLFREDM-RCCFBDPRSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000484925143 860500733 /nfs/dbraw/zinc/50/07/33/860500733.db2.gz YSMLJQJMLFREDM-RCCFBDPRSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000484925143 860500734 /nfs/dbraw/zinc/50/07/34/860500734.db2.gz YSMLJQJMLFREDM-RCCFBDPRSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000484925143 860500737 /nfs/dbraw/zinc/50/07/37/860500737.db2.gz YSMLJQJMLFREDM-RCCFBDPRSA-N 2 1 382.976 3.926 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904624270 860524076 /nfs/dbraw/zinc/52/40/76/860524076.db2.gz UEQPZBSPYNVYPH-HKBOAZHASA-N 2 1 378.520 3.568 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000904639727 860540116 /nfs/dbraw/zinc/54/01/16/860540116.db2.gz LKELKARWUIPMLE-PMACEKPBSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000904639727 860540126 /nfs/dbraw/zinc/54/01/26/860540126.db2.gz LKELKARWUIPMLE-PMACEKPBSA-N 2 1 388.462 3.769 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000489824428 860762980 /nfs/dbraw/zinc/76/29/80/860762980.db2.gz DELZFUGNQLHTQU-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603550 881577835 /nfs/dbraw/zinc/57/78/35/881577835.db2.gz BMYFLFBBXJYWKV-QHCPKHFHSA-N 2 1 389.584 3.972 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603550 881577848 /nfs/dbraw/zinc/57/78/48/881577848.db2.gz BMYFLFBBXJYWKV-QHCPKHFHSA-N 2 1 389.584 3.972 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603550 881577861 /nfs/dbraw/zinc/57/78/61/881577861.db2.gz BMYFLFBBXJYWKV-QHCPKHFHSA-N 2 1 389.584 3.972 20 0 GHADMP CO[C@H](C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607164 881585273 /nfs/dbraw/zinc/58/52/73/881585273.db2.gz XGEOEJHPHOQRMP-FGZHOGPDSA-N 2 1 375.557 3.580 20 0 GHADMP CO[C@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607164 881585284 /nfs/dbraw/zinc/58/52/84/881585284.db2.gz XGEOEJHPHOQRMP-FGZHOGPDSA-N 2 1 375.557 3.580 20 0 GHADMP CO[C@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607164 881585295 /nfs/dbraw/zinc/58/52/95/881585295.db2.gz XGEOEJHPHOQRMP-FGZHOGPDSA-N 2 1 375.557 3.580 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856606570 881585600 /nfs/dbraw/zinc/58/56/00/881585600.db2.gz LEYPJQWTDYWGHD-IBGZPJMESA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856606570 881585606 /nfs/dbraw/zinc/58/56/06/881585606.db2.gz LEYPJQWTDYWGHD-IBGZPJMESA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856606570 881585615 /nfs/dbraw/zinc/58/56/15/881585615.db2.gz LEYPJQWTDYWGHD-IBGZPJMESA-N 2 1 389.490 3.896 20 0 GHADMP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)C1CC[NH+](C)CC1 ZINC000623353466 860925235 /nfs/dbraw/zinc/92/52/35/860925235.db2.gz MRQKQOCMFTWAND-NHCUHLMSSA-N 2 1 397.588 3.516 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC(=O)Nc4ccccc43)cc2)C[C@H](C)O1 ZINC000542482060 881629288 /nfs/dbraw/zinc/62/92/88/881629288.db2.gz NBEMECUBTVLMLY-SVMVAKDDSA-N 2 1 393.531 3.859 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000498597517 863156586 /nfs/dbraw/zinc/15/65/86/863156586.db2.gz IPBWFPONVBGDJG-KNQAVFIVSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000498597517 863156591 /nfs/dbraw/zinc/15/65/91/863156591.db2.gz IPBWFPONVBGDJG-KNQAVFIVSA-N 2 1 399.966 3.971 20 0 GHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182267206 863168984 /nfs/dbraw/zinc/16/89/84/863168984.db2.gz KQOKYUOKRUIDGR-JTHBVZDNSA-N 2 1 380.532 3.874 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SC2CCCC2)cc1 ZINC000482540203 863277838 /nfs/dbraw/zinc/27/78/38/863277838.db2.gz FHKYIKJLDGWKQZ-HKUYNNGSSA-N 2 1 389.609 3.959 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183151727 863488678 /nfs/dbraw/zinc/48/86/78/863488678.db2.gz GMXWNCXPQKZQLF-HOTGVXAUSA-N 2 1 378.476 3.867 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000175121062 863706851 /nfs/dbraw/zinc/70/68/51/863706851.db2.gz XHCUMCOUPDMXHA-LJQANCHMSA-N 2 1 397.567 3.846 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000175121062 863706861 /nfs/dbraw/zinc/70/68/61/863706861.db2.gz XHCUMCOUPDMXHA-LJQANCHMSA-N 2 1 397.567 3.846 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444232555 863722093 /nfs/dbraw/zinc/72/20/93/863722093.db2.gz QWVSHKPHCKWEBL-QGAVKGNSSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444232555 863722100 /nfs/dbraw/zinc/72/21/00/863722100.db2.gz QWVSHKPHCKWEBL-QGAVKGNSSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444232555 863722106 /nfs/dbraw/zinc/72/21/06/863722106.db2.gz QWVSHKPHCKWEBL-QGAVKGNSSA-N 2 1 383.580 3.761 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606704171 863770092 /nfs/dbraw/zinc/77/00/92/863770092.db2.gz QLGSVPVIUHWUAV-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000606704171 863770097 /nfs/dbraw/zinc/77/00/97/863770097.db2.gz QLGSVPVIUHWUAV-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000606704171 863770103 /nfs/dbraw/zinc/77/01/03/863770103.db2.gz QLGSVPVIUHWUAV-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000378894189 863848550 /nfs/dbraw/zinc/84/85/50/863848550.db2.gz SYFRUPBQVXTWSN-UHFFFAOYSA-N 2 1 375.557 3.540 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000158584438 863880056 /nfs/dbraw/zinc/88/00/56/863880056.db2.gz GGKDWLNXWLSQSD-OTWHNJEPSA-N 2 1 395.613 3.857 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000465572610 863912930 /nfs/dbraw/zinc/91/29/30/863912930.db2.gz KCZJFMZRFQRAMY-FNXHNPQUSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000465572610 863912948 /nfs/dbraw/zinc/91/29/48/863912948.db2.gz KCZJFMZRFQRAMY-FNXHNPQUSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000465572610 863912964 /nfs/dbraw/zinc/91/29/64/863912964.db2.gz KCZJFMZRFQRAMY-FNXHNPQUSA-N 2 1 398.595 3.733 20 0 GHADMP CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159030793 864015468 /nfs/dbraw/zinc/01/54/68/864015468.db2.gz KRHDSTGFXBYCOM-HXUWFJFHSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000607054230 864016401 /nfs/dbraw/zinc/01/64/01/864016401.db2.gz HCFDWFCVZCPSSH-AVRDEDQJSA-N 2 1 387.568 3.793 20 0 GHADMP CCCOc1cc(C)ccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000607057546 864017770 /nfs/dbraw/zinc/01/77/70/864017770.db2.gz DHVLIPHVFKQNFV-IBGZPJMESA-N 2 1 390.572 3.664 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000607087871 864056912 /nfs/dbraw/zinc/05/69/12/864056912.db2.gz IULRGRFBPJZTMN-LJQANCHMSA-N 2 1 383.536 3.858 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475119983 864223822 /nfs/dbraw/zinc/22/38/22/864223822.db2.gz DYEVEUTVJHUXST-HSZRJFAPSA-N 2 1 398.595 3.747 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000734510736 864269063 /nfs/dbraw/zinc/26/90/63/864269063.db2.gz YWZGYJVALZTBEM-KBXCAEBGSA-N 2 1 390.597 3.843 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000017314097 881778593 /nfs/dbraw/zinc/77/85/93/881778593.db2.gz DKZGIICOPAKLBY-UHFFFAOYSA-N 2 1 390.531 3.791 20 0 GHADMP C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182567869 864692162 /nfs/dbraw/zinc/69/21/62/864692162.db2.gz XXUZZBJAQILMKX-ICSRJNTNSA-N 2 1 390.616 3.593 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000480504895 864751474 /nfs/dbraw/zinc/75/14/74/864751474.db2.gz XWDJAADOERHKJT-UHFFFAOYSA-N 2 1 379.346 3.879 20 0 GHADMP CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(OC)cc1 ZINC000480608285 864939849 /nfs/dbraw/zinc/93/98/49/864939849.db2.gz CMYFJJBAXTWDTF-QHCPKHFHSA-N 2 1 395.547 3.714 20 0 GHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccc(F)cc2I)c1 ZINC000417976184 865007922 /nfs/dbraw/zinc/00/79/22/865007922.db2.gz XGOUOSJOEUMNRP-UHFFFAOYSA-N 2 1 398.263 3.782 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000608168030 865042270 /nfs/dbraw/zinc/04/22/70/865042270.db2.gz WVGKKMANEYSHPK-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000608168030 865042281 /nfs/dbraw/zinc/04/22/81/865042281.db2.gz WVGKKMANEYSHPK-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000608168030 865042285 /nfs/dbraw/zinc/04/22/85/865042285.db2.gz WVGKKMANEYSHPK-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000480692965 865098548 /nfs/dbraw/zinc/09/85/48/865098548.db2.gz BEGJYDIETSLCSH-SFTDATJTSA-N 2 1 375.601 3.612 20 0 GHADMP C[NH+]1CCC([NH+]2CCC(Nc3nc(C(F)F)nc4ccccc43)CC2)CC1 ZINC000301213439 865229213 /nfs/dbraw/zinc/22/92/13/865229213.db2.gz WNGTYSVGCZYVNO-UHFFFAOYSA-N 2 1 375.467 3.538 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000480779801 865253910 /nfs/dbraw/zinc/25/39/10/865253910.db2.gz LKULCJNFOMJLRR-UNMCSNQZSA-N 2 1 391.575 3.868 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000480776634 865277969 /nfs/dbraw/zinc/27/79/69/865277969.db2.gz CVYILCMUUJBMHF-ZEQRLZLVSA-N 2 1 379.548 3.651 20 0 GHADMP C[C@@H]1CC(N2CC([NH+]3CCC(F)(F)CC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065815 865297920 /nfs/dbraw/zinc/29/79/20/865297920.db2.gz YHOLGMAYELXWGK-QZTJIDSGSA-N 2 1 377.523 3.843 20 0 GHADMP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301424839 865354279 /nfs/dbraw/zinc/35/42/79/865354279.db2.gz GNSUENSDJVCCRT-UHFFFAOYSA-N 2 1 378.314 3.544 20 0 GHADMP C[NH+]1CCC(CNc2nc(C(F)F)nc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000301477963 865383823 /nfs/dbraw/zinc/38/38/23/865383823.db2.gz XGTMFBIMVWGKCX-UHFFFAOYSA-N 2 1 389.494 3.930 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000667760828 865424286 /nfs/dbraw/zinc/42/42/86/865424286.db2.gz XYDXQBNWFRYHII-QZNHQXDQSA-N 2 1 392.547 3.828 20 0 GHADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480909350 865488918 /nfs/dbraw/zinc/48/89/18/865488918.db2.gz OWBIWQHTKOGSLJ-FCHUYYIVSA-N 2 1 387.568 3.652 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1C ZINC000301701881 865500391 /nfs/dbraw/zinc/50/03/91/865500391.db2.gz GIBDMNKNZZKAHV-ZWKOTPCHSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1C ZINC000301701881 865500397 /nfs/dbraw/zinc/50/03/97/865500397.db2.gz GIBDMNKNZZKAHV-ZWKOTPCHSA-N 2 1 399.608 3.824 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000667781056 865523161 /nfs/dbraw/zinc/52/31/61/865523161.db2.gz LTGLCRVSYNOJCD-UHFFFAOYSA-N 2 1 380.536 3.844 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000608684919 865555831 /nfs/dbraw/zinc/55/58/31/865555831.db2.gz CNZZAKSTQQRWKW-FCHUYYIVSA-N 2 1 386.584 3.729 20 0 GHADMP Brc1ccc2[nH+]ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000301890157 865589166 /nfs/dbraw/zinc/58/91/66/865589166.db2.gz TTZFNWNPCBRTTH-OAHLLOKOSA-N 2 1 376.298 3.663 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000608716551 865622780 /nfs/dbraw/zinc/62/27/80/865622780.db2.gz OCSHSKHLKSWJTI-YADHBBJMSA-N 2 1 386.584 3.585 20 0 GHADMP OCC[C@H]1CCCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000671246088 865720398 /nfs/dbraw/zinc/72/03/98/865720398.db2.gz CWWYRXBTAURATP-DNQXCXABSA-N 2 1 388.596 3.941 20 0 GHADMP COc1c[nH+]ccc1N1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000481075459 865761819 /nfs/dbraw/zinc/76/18/19/865761819.db2.gz RJWDAIASQYDKSY-UHFFFAOYSA-N 2 1 399.292 3.728 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000156828048 865775976 /nfs/dbraw/zinc/77/59/76/865775976.db2.gz QRNQDONMSMYSQU-LJQANCHMSA-N 2 1 377.532 3.976 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000156828048 865775980 /nfs/dbraw/zinc/77/59/80/865775980.db2.gz QRNQDONMSMYSQU-LJQANCHMSA-N 2 1 377.532 3.976 20 0 GHADMP O=C1OC[C@H](Cc2ccccc2)N1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000739837702 865815483 /nfs/dbraw/zinc/81/54/83/865815483.db2.gz PBDQHXIXYDSNLT-QFIPXVFZSA-N 2 1 385.552 3.595 20 0 GHADMP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000173960156 865860224 /nfs/dbraw/zinc/86/02/24/865860224.db2.gz GPNCYYCLQXTJSI-UHFFFAOYSA-N 2 1 385.321 3.665 20 0 GHADMP CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000302616607 865860336 /nfs/dbraw/zinc/86/03/36/865860336.db2.gz CPCCXUOAQXPUMQ-OAHLLOKOSA-N 2 1 391.357 3.683 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cn1 ZINC000856994597 881916706 /nfs/dbraw/zinc/91/67/06/881916706.db2.gz CNEQGAVLUFVBHL-LJQANCHMSA-N 2 1 375.476 3.637 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cn1 ZINC000856994597 881916714 /nfs/dbraw/zinc/91/67/14/881916714.db2.gz CNEQGAVLUFVBHL-LJQANCHMSA-N 2 1 375.476 3.637 20 0 GHADMP CCCCNC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000174269497 865892985 /nfs/dbraw/zinc/89/29/85/865892985.db2.gz VIBSNJKOJGFFNU-UHFFFAOYSA-N 2 1 379.548 3.971 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000475496014 866041420 /nfs/dbraw/zinc/04/14/20/866041420.db2.gz NVXWWLSZMKRYHS-CAADTVGGSA-N 2 1 389.543 3.703 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000475496014 866041435 /nfs/dbraw/zinc/04/14/35/866041435.db2.gz NVXWWLSZMKRYHS-CAADTVGGSA-N 2 1 389.543 3.703 20 0 GHADMP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475548134 866236588 /nfs/dbraw/zinc/23/65/88/866236588.db2.gz AUTAFVPXWVDXPM-HSZRJFAPSA-N 2 1 386.499 3.594 20 0 GHADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)C2 ZINC000476558335 881956096 /nfs/dbraw/zinc/95/60/96/881956096.db2.gz GSLZTMMDULDHJF-KRWDZBQOSA-N 2 1 380.536 3.913 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000534219411 866324839 /nfs/dbraw/zinc/32/48/39/866324839.db2.gz MRMYXTGMQSASRC-UHFFFAOYSA-N 2 1 378.314 3.640 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)ccc21 ZINC000456264041 866325985 /nfs/dbraw/zinc/32/59/85/866325985.db2.gz HDSAMQMHLLPEEO-FGZHOGPDSA-N 2 1 381.495 3.978 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)ccc21 ZINC000456264041 866326001 /nfs/dbraw/zinc/32/60/01/866326001.db2.gz HDSAMQMHLLPEEO-FGZHOGPDSA-N 2 1 381.495 3.978 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000857084393 881995437 /nfs/dbraw/zinc/99/54/37/881995437.db2.gz PHEWGVPJUBDOFY-BJLQDIEVSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000857084393 881995448 /nfs/dbraw/zinc/99/54/48/881995448.db2.gz PHEWGVPJUBDOFY-BJLQDIEVSA-N 2 1 375.557 3.790 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(Cl)cc1 ZINC000553029220 866652180 /nfs/dbraw/zinc/65/21/80/866652180.db2.gz ZASPSZBSOCXMHO-FQEVSTJZSA-N 2 1 388.943 3.615 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(Cl)cc1 ZINC000553029220 866652189 /nfs/dbraw/zinc/65/21/89/866652189.db2.gz ZASPSZBSOCXMHO-FQEVSTJZSA-N 2 1 388.943 3.615 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000523144105 866720978 /nfs/dbraw/zinc/72/09/78/866720978.db2.gz KAZDOLGHFTUZEH-FXAWDEMLSA-N 2 1 392.975 3.506 20 0 GHADMP O=C1Nc2cc(Cl)ccc2[C@@H]1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444595890 866919834 /nfs/dbraw/zinc/91/98/34/866919834.db2.gz XMJPMEHQTFBKGX-FQEVSTJZSA-N 2 1 375.944 3.964 20 0 GHADMP CCN(Cc1ccc(Cl)s1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553255500 867060769 /nfs/dbraw/zinc/06/07/69/867060769.db2.gz IEMXYSKFTPKQEX-UHFFFAOYSA-N 2 1 398.016 3.946 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479066918 867087142 /nfs/dbraw/zinc/08/71/42/867087142.db2.gz JQUUTWKXHCNXKU-FQEVSTJZSA-N 2 1 394.401 3.690 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479071583 867093530 /nfs/dbraw/zinc/09/35/30/867093530.db2.gz SKQNBSVPMJRDNQ-APWZRJJASA-N 2 1 399.348 3.866 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)[C@H](C)C1 ZINC000154071827 867234574 /nfs/dbraw/zinc/23/45/74/867234574.db2.gz YFYASGLVRCKHEV-VQIMIIECSA-N 2 1 380.960 3.717 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000523469696 867354121 /nfs/dbraw/zinc/35/41/21/867354121.db2.gz DGTWBBJEAOSDNY-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000523469696 867354132 /nfs/dbraw/zinc/35/41/32/867354132.db2.gz DGTWBBJEAOSDNY-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000523469696 867354146 /nfs/dbraw/zinc/35/41/46/867354146.db2.gz DGTWBBJEAOSDNY-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCC[C@H]1C ZINC000553432285 867387333 /nfs/dbraw/zinc/38/73/33/867387333.db2.gz XRFDDYKAQYPNGZ-PQNGQFLHSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1CCCC[C@H]1C ZINC000553432285 867387346 /nfs/dbraw/zinc/38/73/46/867387346.db2.gz XRFDDYKAQYPNGZ-PQNGQFLHSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1CCCC[C@H]1C ZINC000553432285 867387361 /nfs/dbraw/zinc/38/73/61/867387361.db2.gz XRFDDYKAQYPNGZ-PQNGQFLHSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCCC[C@H]12 ZINC000523635780 867702190 /nfs/dbraw/zinc/70/21/90/867702190.db2.gz RWZBRHSHYGHGMG-UEVCKROQSA-N 2 1 383.580 3.799 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000479417379 867710514 /nfs/dbraw/zinc/71/05/14/867710514.db2.gz IMLVSPDCNRRHLE-FQEVSTJZSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000445115780 867799785 /nfs/dbraw/zinc/79/97/85/867799785.db2.gz QKGLBHQRBZYFQF-QGZVFWFLSA-N 2 1 383.540 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000445115780 867799803 /nfs/dbraw/zinc/79/98/03/867799803.db2.gz QKGLBHQRBZYFQF-QGZVFWFLSA-N 2 1 383.540 3.663 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000535018506 867939806 /nfs/dbraw/zinc/93/98/06/867939806.db2.gz KWLWPDVIRBOTOF-WMZHIEFXSA-N 2 1 398.595 3.776 20 0 GHADMP CCC[N@H+](CCC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121587979 882174440 /nfs/dbraw/zinc/17/44/40/882174440.db2.gz URJKJQFACCEZMQ-UHFFFAOYSA-N 2 1 376.545 3.506 20 0 GHADMP CCC[N@@H+](CCC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121587979 882174448 /nfs/dbraw/zinc/17/44/48/882174448.db2.gz URJKJQFACCEZMQ-UHFFFAOYSA-N 2 1 376.545 3.506 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000156816145 868472672 /nfs/dbraw/zinc/47/26/72/868472672.db2.gz NLEAAYVETRBOAH-BJKOFHAPSA-N 2 1 391.559 3.875 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000156973572 868517970 /nfs/dbraw/zinc/51/79/70/868517970.db2.gz XJJSXVGSBZWWDJ-RBUKOAKNSA-N 2 1 380.374 3.612 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000157533467 868680264 /nfs/dbraw/zinc/68/02/64/868680264.db2.gz RIDWIOIMRCLRHY-OALUTQOASA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000157533467 868680271 /nfs/dbraw/zinc/68/02/71/868680271.db2.gz RIDWIOIMRCLRHY-OALUTQOASA-N 2 1 397.567 3.559 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000535398460 868690581 /nfs/dbraw/zinc/69/05/81/868690581.db2.gz SAEKQORJZPOVBU-ZRBLBEILSA-N 2 1 392.547 3.568 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000480009697 868897170 /nfs/dbraw/zinc/89/71/70/868897170.db2.gz GFHFDWCQDWJUQE-MBSDFSHPSA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000480009697 868897183 /nfs/dbraw/zinc/89/71/83/868897183.db2.gz GFHFDWCQDWJUQE-MBSDFSHPSA-N 2 1 384.568 3.716 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000158217683 868897908 /nfs/dbraw/zinc/89/79/08/868897908.db2.gz NFJBKZJXXBFAIX-VQIMIIECSA-N 2 1 397.485 3.704 20 0 GHADMP Cc1cc(C)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000535597896 869049934 /nfs/dbraw/zinc/04/99/34/869049934.db2.gz IBYGAMBMKVIRLM-UHFFFAOYSA-N 2 1 385.596 3.880 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)CCc3ccccc3)CC2)CC1 ZINC000539407227 869068461 /nfs/dbraw/zinc/06/84/61/869068461.db2.gz IYIVZCRHELQNQA-OAQYLSRUSA-N 2 1 385.596 3.522 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000524589313 869283789 /nfs/dbraw/zinc/28/37/89/869283789.db2.gz CQGYMSQVADDKLA-UNWVZKJWSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000524589313 869283804 /nfs/dbraw/zinc/28/38/04/869283804.db2.gz CQGYMSQVADDKLA-UNWVZKJWSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000524589313 869283815 /nfs/dbraw/zinc/28/38/15/869283815.db2.gz CQGYMSQVADDKLA-UNWVZKJWSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000793604232 882308995 /nfs/dbraw/zinc/30/89/95/882308995.db2.gz CXRPTISTYMNXDG-WSTZPKSXSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000793604232 882309014 /nfs/dbraw/zinc/30/90/14/882309014.db2.gz CXRPTISTYMNXDG-WSTZPKSXSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000524878512 869709352 /nfs/dbraw/zinc/70/93/52/869709352.db2.gz GRDBHOZRDYANBQ-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000524878512 869709359 /nfs/dbraw/zinc/70/93/59/869709359.db2.gz GRDBHOZRDYANBQ-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000524878512 869709364 /nfs/dbraw/zinc/70/93/64/869709364.db2.gz GRDBHOZRDYANBQ-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539862251 869914139 /nfs/dbraw/zinc/91/41/39/869914139.db2.gz KMQMHUVJKXYAPF-HSZRJFAPSA-N 2 1 393.575 3.963 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000539874908 869947117 /nfs/dbraw/zinc/94/71/17/869947117.db2.gz VRAYDKPCNUNEIQ-NRFANRHFSA-N 2 1 386.584 3.814 20 0 GHADMP CCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446575573 870029344 /nfs/dbraw/zinc/02/93/44/870029344.db2.gz KDFBKPKUDLLCDN-JOCHJYFZSA-N 2 1 394.563 3.919 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)C[C@H](C)O1 ZINC000462796298 870101640 /nfs/dbraw/zinc/10/16/40/870101640.db2.gz MRTTXGLMZXGSRH-UBFQBMNUSA-N 2 1 386.580 3.981 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000462799812 870117391 /nfs/dbraw/zinc/11/73/91/870117391.db2.gz YCBRJLHCPBKTRG-FGCOXFRFSA-N 2 1 385.596 3.509 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000248153365 870302374 /nfs/dbraw/zinc/30/23/74/870302374.db2.gz RBDAEJVHPXUFRD-UGKGYDQZSA-N 2 1 397.950 3.814 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2ccccc2o1 ZINC000248183715 870311950 /nfs/dbraw/zinc/31/19/50/870311950.db2.gz WXSVCUDRSIVYSD-LAUBAEHRSA-N 2 1 391.515 3.981 20 0 GHADMP CN(C(=O)c1ccnc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000248387513 870353354 /nfs/dbraw/zinc/35/33/54/870353354.db2.gz PHHKHMQPHJGOSD-DHIUTWEWSA-N 2 1 394.563 3.644 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000122044344 882405719 /nfs/dbraw/zinc/40/57/19/882405719.db2.gz IYDIHNJMARYTJY-UHFFFAOYSA-N 2 1 388.581 3.776 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000122044344 882405726 /nfs/dbraw/zinc/40/57/26/882405726.db2.gz IYDIHNJMARYTJY-UHFFFAOYSA-N 2 1 388.581 3.776 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000122044848 882405900 /nfs/dbraw/zinc/40/59/00/882405900.db2.gz QFUQIHGZRYHEDD-QGZVFWFLSA-N 2 1 395.975 3.737 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000122044848 882405904 /nfs/dbraw/zinc/40/59/04/882405904.db2.gz QFUQIHGZRYHEDD-QGZVFWFLSA-N 2 1 395.975 3.737 20 0 GHADMP C[C@@H](CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000194434032 870515760 /nfs/dbraw/zinc/51/57/60/870515760.db2.gz BYIDCWBIOFEPAB-CVDCTZTESA-N 2 1 379.548 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000538750839 870565622 /nfs/dbraw/zinc/56/56/22/870565622.db2.gz BESGPEUUKCEOFK-QFIPXVFZSA-N 3 1 384.612 3.526 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000538750839 870565631 /nfs/dbraw/zinc/56/56/31/870565631.db2.gz BESGPEUUKCEOFK-QFIPXVFZSA-N 3 1 384.612 3.526 20 0 GHADMP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1cccc(Br)c1 ZINC000538796179 870624449 /nfs/dbraw/zinc/62/44/49/870624449.db2.gz TUKQDFWVMWCOJH-DQEVTTJGSA-N 2 1 381.358 3.736 20 0 GHADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1cccc(Br)c1 ZINC000538796179 870624454 /nfs/dbraw/zinc/62/44/54/870624454.db2.gz TUKQDFWVMWCOJH-DQEVTTJGSA-N 2 1 381.358 3.736 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000540168615 870652130 /nfs/dbraw/zinc/65/21/30/870652130.db2.gz DTSDBEWTWJFLCY-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000540168615 870652135 /nfs/dbraw/zinc/65/21/35/870652135.db2.gz DTSDBEWTWJFLCY-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249120313 870764131 /nfs/dbraw/zinc/76/41/31/870764131.db2.gz ZHHCBYPQFWQEPT-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000249370336 870815134 /nfs/dbraw/zinc/81/51/34/870815134.db2.gz OXWMNMXTBNIGFC-HROJSSOGSA-N 2 1 395.547 3.770 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4C[C@@H](C)N(C(=O)OC(C)(C)C)C4)C[C@@H]3C2)cc1 ZINC001168857207 870910486 /nfs/dbraw/zinc/91/04/86/870910486.db2.gz NEKLKVTWLFTPMO-PSWRPDDJSA-N 2 1 399.579 3.757 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4C[C@@H](C)N(C(=O)OC(C)(C)C)C4)C[C@@H]3C2)cc1 ZINC001168857207 870910495 /nfs/dbraw/zinc/91/04/95/870910495.db2.gz NEKLKVTWLFTPMO-PSWRPDDJSA-N 2 1 399.579 3.757 20 0 GHADMP C[C@H]1C[C@@H](NCc2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463115045 870916286 /nfs/dbraw/zinc/91/62/86/870916286.db2.gz WFEXLXQUWGUXOB-REWPJTCUSA-N 2 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000463115045 870916297 /nfs/dbraw/zinc/91/62/97/870916297.db2.gz WFEXLXQUWGUXOB-REWPJTCUSA-N 2 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463115045 870916304 /nfs/dbraw/zinc/91/63/04/870916304.db2.gz WFEXLXQUWGUXOB-REWPJTCUSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463115045 870916317 /nfs/dbraw/zinc/91/63/17/870916317.db2.gz WFEXLXQUWGUXOB-REWPJTCUSA-N 3 1 381.564 3.770 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1)CC1CC1 ZINC000538947467 870954924 /nfs/dbraw/zinc/95/49/24/870954924.db2.gz DBOLCNPAHROEQT-UHFFFAOYSA-N 2 1 375.601 3.754 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538949931 870959159 /nfs/dbraw/zinc/95/91/59/870959159.db2.gz XLIHIOKHJAIQNL-FQEVSTJZSA-N 2 1 397.607 3.794 20 0 GHADMP Cc1csc(N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)n1 ZINC000463142849 870966685 /nfs/dbraw/zinc/96/66/85/870966685.db2.gz GKYJNTBDGPARRI-UHFFFAOYSA-N 2 1 384.593 3.717 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000447092191 870978767 /nfs/dbraw/zinc/97/87/67/870978767.db2.gz YMIXRZSEKDCELE-KRWDZBQOSA-N 2 1 385.577 3.972 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001170438753 882463753 /nfs/dbraw/zinc/46/37/53/882463753.db2.gz USKHSXSWBZCPOC-NFBKMPQASA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001170438753 882463756 /nfs/dbraw/zinc/46/37/56/882463756.db2.gz USKHSXSWBZCPOC-NFBKMPQASA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001170438753 882463761 /nfs/dbraw/zinc/46/37/61/882463761.db2.gz USKHSXSWBZCPOC-NFBKMPQASA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001170438753 882463765 /nfs/dbraw/zinc/46/37/65/882463765.db2.gz USKHSXSWBZCPOC-NFBKMPQASA-N 2 1 388.552 3.559 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463138034 870989998 /nfs/dbraw/zinc/98/99/98/870989998.db2.gz NXXBSVYOFFHDJG-SDUSCBPUSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000463138034 870990017 /nfs/dbraw/zinc/99/00/17/870990017.db2.gz NXXBSVYOFFHDJG-SDUSCBPUSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000463141108 870995851 /nfs/dbraw/zinc/99/58/51/870995851.db2.gz NAAONFSRJSRXDN-PMACEKPBSA-N 2 1 375.576 3.790 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463149479 871015943 /nfs/dbraw/zinc/01/59/43/871015943.db2.gz LECQFUIAOZVYLL-ZJSXRUAMSA-N 3 1 395.591 3.812 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463149479 871015956 /nfs/dbraw/zinc/01/59/56/871015956.db2.gz LECQFUIAOZVYLL-ZJSXRUAMSA-N 3 1 395.591 3.812 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000540329142 871032152 /nfs/dbraw/zinc/03/21/52/871032152.db2.gz ZZWPFOXBSFFIFZ-NRFANRHFSA-N 2 1 379.548 3.689 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000540343159 871067953 /nfs/dbraw/zinc/06/79/53/871067953.db2.gz OADRLTOLKXDMEQ-AAIMPIBUSA-N 2 1 395.547 3.515 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463188959 871130013 /nfs/dbraw/zinc/13/00/13/871130013.db2.gz GLKGMCRBQJVASB-WTIAFYNJSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463188959 871130020 /nfs/dbraw/zinc/13/00/20/871130020.db2.gz GLKGMCRBQJVASB-WTIAFYNJSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)C[C@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001169070327 871156702 /nfs/dbraw/zinc/15/67/02/871156702.db2.gz NKXDITYXFGPYIR-FGZHOGPDSA-N 2 1 396.579 3.795 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169097828 871173608 /nfs/dbraw/zinc/17/36/08/871173608.db2.gz CDUVHMFFSRGENN-QUXXCFOZSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128006 871216729 /nfs/dbraw/zinc/21/67/29/871216729.db2.gz BCZDVOMCIRZBCB-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128006 871216746 /nfs/dbraw/zinc/21/67/46/871216746.db2.gz BCZDVOMCIRZBCB-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128006 871216766 /nfs/dbraw/zinc/21/67/66/871216766.db2.gz BCZDVOMCIRZBCB-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128006 871216784 /nfs/dbraw/zinc/21/67/84/871216784.db2.gz BCZDVOMCIRZBCB-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(CC3CC3)CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169115529 871248103 /nfs/dbraw/zinc/24/81/03/871248103.db2.gz KMDIIMBHMPFWHL-REPLKXPHSA-N 2 1 377.573 3.771 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)O2 ZINC001193744085 871260339 /nfs/dbraw/zinc/26/03/39/871260339.db2.gz YDNDDOZOGYNRJO-JTHBVZDNSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)O2 ZINC001193744085 871260344 /nfs/dbraw/zinc/26/03/44/871260344.db2.gz YDNDDOZOGYNRJO-JTHBVZDNSA-N 2 1 380.532 3.889 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169154389 871266656 /nfs/dbraw/zinc/26/66/56/871266656.db2.gz PLRLSWPFKDWIJZ-PIIMJCKOSA-N 2 1 378.358 3.505 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169154389 871266674 /nfs/dbraw/zinc/26/66/74/871266674.db2.gz PLRLSWPFKDWIJZ-PIIMJCKOSA-N 2 1 378.358 3.505 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000525709640 871268851 /nfs/dbraw/zinc/26/88/51/871268851.db2.gz WUKWEKRXMFVDQE-CMPLNLGQSA-N 2 1 393.272 3.631 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000525709640 871268865 /nfs/dbraw/zinc/26/88/65/871268865.db2.gz WUKWEKRXMFVDQE-CMPLNLGQSA-N 2 1 393.272 3.631 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463277307 871314527 /nfs/dbraw/zinc/31/45/27/871314527.db2.gz CQDDTYSMIFVXKJ-FDTGPBLFSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463277307 871314550 /nfs/dbraw/zinc/31/45/50/871314550.db2.gz CQDDTYSMIFVXKJ-FDTGPBLFSA-N 2 1 382.552 3.766 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463272947 871342853 /nfs/dbraw/zinc/34/28/53/871342853.db2.gz WBLMSWBKLHNJRN-NBGIEHNGSA-N 2 1 395.566 3.943 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463272946 871343774 /nfs/dbraw/zinc/34/37/74/871343774.db2.gz WBLMSWBKLHNJRN-CPJSRVTESA-N 2 1 395.566 3.943 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)CC1 ZINC001169255540 871352399 /nfs/dbraw/zinc/35/23/99/871352399.db2.gz RCJPQZHTRXIETG-UHFFFAOYSA-N 2 1 381.564 3.651 20 0 GHADMP O=C1CCC2(CCC(CNc3ccc4c(c3)[nH+]cn4[C@H]3CCC[NH2+]CC3)CC2)N1 ZINC001169296458 871389989 /nfs/dbraw/zinc/38/99/89/871389989.db2.gz XBOHYYONYKRJMO-YZOUICBYSA-N 2 1 395.551 3.602 20 0 GHADMP COCCOc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000163005981 871396447 /nfs/dbraw/zinc/39/64/47/871396447.db2.gz ADZPVECJBLATOU-UHFFFAOYSA-N 2 1 386.511 3.648 20 0 GHADMP CCC[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CC[NH2+]CC1 ZINC000470002949 871401312 /nfs/dbraw/zinc/40/13/12/871401312.db2.gz IZKRCONWOYOLLT-UHFFFAOYSA-N 2 1 383.330 3.574 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000525779461 871423594 /nfs/dbraw/zinc/42/35/94/871423594.db2.gz OLJNELXZZVYNID-WMZOPIPTSA-N 2 1 385.474 3.747 20 0 GHADMP Cc1cc(I)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205652328 871482586 /nfs/dbraw/zinc/48/25/86/871482586.db2.gz PGRBNOCGPKYJDE-IUODEOHRSA-N 2 1 386.321 3.715 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462082785 871549246 /nfs/dbraw/zinc/54/92/46/871549246.db2.gz FFGVVZCZVGJLDG-DEOSSOPVSA-N 2 1 391.559 3.953 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000462082785 871549255 /nfs/dbraw/zinc/54/92/55/871549255.db2.gz FFGVVZCZVGJLDG-DEOSSOPVSA-N 2 1 391.559 3.953 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)o1 ZINC000618407247 871600341 /nfs/dbraw/zinc/60/03/41/871600341.db2.gz OSESVRJSPIOQCI-HXUWFJFHSA-N 2 1 398.551 3.643 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169672237 871770587 /nfs/dbraw/zinc/77/05/87/871770587.db2.gz MTJOPGBHKKHCFD-NJDAHSKKSA-N 2 1 391.531 3.909 20 0 GHADMP CC1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000618666132 871815857 /nfs/dbraw/zinc/81/58/57/871815857.db2.gz VYLPMCRUOTWACO-OAQYLSRUSA-N 2 1 383.580 3.812 20 0 GHADMP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821638 871849331 /nfs/dbraw/zinc/84/93/31/871849331.db2.gz JBCZJBLGXJNBRJ-LJQANCHMSA-N 2 1 380.536 3.956 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000525988259 871873038 /nfs/dbraw/zinc/87/30/38/871873038.db2.gz PFPIFMMJBMBFGF-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783672 871877798 /nfs/dbraw/zinc/87/77/98/871877798.db2.gz JTQOQZQHQBJJPJ-UPVQGACJSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783672 871877812 /nfs/dbraw/zinc/87/78/12/871877812.db2.gz JTQOQZQHQBJJPJ-UPVQGACJSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783672 871877832 /nfs/dbraw/zinc/87/78/32/871877832.db2.gz JTQOQZQHQBJJPJ-UPVQGACJSA-N 2 1 391.559 3.745 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552062926 871960860 /nfs/dbraw/zinc/96/08/60/871960860.db2.gz KCKVRKXKVYYWIP-BPUTZDHNSA-N 2 1 391.865 3.985 20 0 GHADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552065678 871968300 /nfs/dbraw/zinc/96/83/00/871968300.db2.gz JXWIATDOMJTPOX-SJBKTWHCSA-N 2 1 384.568 3.704 20 0 GHADMP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552065678 871968309 /nfs/dbraw/zinc/96/83/09/871968309.db2.gz JXWIATDOMJTPOX-SJBKTWHCSA-N 2 1 384.568 3.704 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000775620168 872015792 /nfs/dbraw/zinc/01/57/92/872015792.db2.gz BPBOBOUDTSINEO-RTWAWAEBSA-N 2 1 387.568 3.995 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3C[C@H](c4ccccc4)C3(C)C)cc2)CC1 ZINC000463554120 872019389 /nfs/dbraw/zinc/01/93/89/872019389.db2.gz XUOZLYCEGMDKHC-DHIUTWEWSA-N 2 1 391.559 3.746 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC000508604718 872042215 /nfs/dbraw/zinc/04/22/15/872042215.db2.gz IRFBUJZFJHTSDW-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)c2)n1 ZINC000477850913 872059465 /nfs/dbraw/zinc/05/94/65/872059465.db2.gz DNNHUDCEJNXGNJ-UHFFFAOYSA-N 2 1 387.549 3.949 20 0 GHADMP C[C@@H](c1ccccc1)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCC1 ZINC000093607662 872289962 /nfs/dbraw/zinc/28/99/62/872289962.db2.gz DOSCKMLHFIZOFF-IBGZPJMESA-N 2 1 379.552 3.592 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCC1 ZINC000093607662 872289975 /nfs/dbraw/zinc/28/99/75/872289975.db2.gz DOSCKMLHFIZOFF-IBGZPJMESA-N 2 1 379.552 3.592 20 0 GHADMP C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001129363824 872426553 /nfs/dbraw/zinc/42/65/53/872426553.db2.gz GYIGYWXVJCVYAD-GOTSBHOMSA-N 2 1 391.559 3.808 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000552319275 872433059 /nfs/dbraw/zinc/43/30/59/872433059.db2.gz IEYLBEVCKJPXOO-OXQOHEQNSA-N 2 1 384.511 3.849 20 0 GHADMP CCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000667288355 872445475 /nfs/dbraw/zinc/44/54/75/872445475.db2.gz IMOQBSCSMLJNFB-LJQANCHMSA-N 2 1 390.597 3.823 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000619360602 872575290 /nfs/dbraw/zinc/57/52/90/872575290.db2.gz HXNOVFIQKGXWCJ-MOPGFXCFSA-N 2 1 394.629 3.722 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000447957069 872606095 /nfs/dbraw/zinc/60/60/95/872606095.db2.gz XDSIMIWLGQVNRT-LQCXBHPOSA-N 2 1 398.595 3.602 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447957069 872606100 /nfs/dbraw/zinc/60/61/00/872606100.db2.gz XDSIMIWLGQVNRT-LQCXBHPOSA-N 2 1 398.595 3.602 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447957069 872606104 /nfs/dbraw/zinc/60/61/04/872606104.db2.gz XDSIMIWLGQVNRT-LQCXBHPOSA-N 2 1 398.595 3.602 20 0 GHADMP Cc1ccc2cc(C[NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)ccc2n1 ZINC000527116595 872698639 /nfs/dbraw/zinc/69/86/39/872698639.db2.gz IKHLXNFHUQBOFE-OAQYLSRUSA-N 2 1 380.561 3.683 20 0 GHADMP O=C(C[N@H+]1CCCC2(CCCC2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001196040474 872849950 /nfs/dbraw/zinc/84/99/50/872849950.db2.gz XBPIRRPIBLXKCU-UHFFFAOYSA-N 2 1 383.580 3.945 20 0 GHADMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541150528 873029968 /nfs/dbraw/zinc/02/99/68/873029968.db2.gz QBAHJERWHYQGLS-QZTJIDSGSA-N 2 1 398.954 3.596 20 0 GHADMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541150528 873029988 /nfs/dbraw/zinc/02/99/88/873029988.db2.gz QBAHJERWHYQGLS-QZTJIDSGSA-N 2 1 398.954 3.596 20 0 GHADMP CN1CC[NH+](CCOc2ccc(-c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000527586713 873323021 /nfs/dbraw/zinc/32/30/21/873323021.db2.gz GEXZHYFHBIABCU-UHFFFAOYSA-N 2 1 379.548 3.576 20 0 GHADMP c1nc(C2CC2)sc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000134074514 882721013 /nfs/dbraw/zinc/72/10/13/882721013.db2.gz OYIGPQRUZJGCRI-UHFFFAOYSA-N 2 1 384.593 3.708 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000541398871 873513156 /nfs/dbraw/zinc/51/31/56/873513156.db2.gz RSKCPUYXQNQGCL-UYAOXDASSA-N 2 1 386.584 3.730 20 0 GHADMP Clc1cnccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000527714388 873520880 /nfs/dbraw/zinc/52/08/80/873520880.db2.gz ZKKSQQQDXUOHQT-HXUWFJFHSA-N 2 1 385.939 3.753 20 0 GHADMP Clc1cnccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000527714388 873520887 /nfs/dbraw/zinc/52/08/87/873520887.db2.gz ZKKSQQQDXUOHQT-HXUWFJFHSA-N 2 1 385.939 3.753 20 0 GHADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541422253 873530698 /nfs/dbraw/zinc/53/06/98/873530698.db2.gz DYSILWCXOGIPFF-PZJWPPBQSA-N 2 1 398.595 3.684 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541422253 873530709 /nfs/dbraw/zinc/53/07/09/873530709.db2.gz DYSILWCXOGIPFF-PZJWPPBQSA-N 2 1 398.595 3.684 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1 ZINC000768932696 873700343 /nfs/dbraw/zinc/70/03/43/873700343.db2.gz PWFWRTJVXMQCKD-GOSISDBHSA-N 2 1 396.453 3.639 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000448719062 873848331 /nfs/dbraw/zinc/84/83/31/873848331.db2.gz DURUIQIPPSPGTF-QGZVFWFLSA-N 2 1 375.476 3.894 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000448719062 873848340 /nfs/dbraw/zinc/84/83/40/873848340.db2.gz DURUIQIPPSPGTF-QGZVFWFLSA-N 2 1 375.476 3.894 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001198202490 874271343 /nfs/dbraw/zinc/27/13/43/874271343.db2.gz NVAUDJONPYKADJ-DHIUTWEWSA-N 2 1 393.575 3.921 20 0 GHADMP O=C(C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000464727969 874391384 /nfs/dbraw/zinc/39/13/84/874391384.db2.gz BYGAPSPREMNFDL-XMMPIXPASA-N 2 1 389.543 3.529 20 0 GHADMP O=C(C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000464727969 874391400 /nfs/dbraw/zinc/39/14/00/874391400.db2.gz BYGAPSPREMNFDL-XMMPIXPASA-N 2 1 389.543 3.529 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000464777773 874474673 /nfs/dbraw/zinc/47/46/73/874474673.db2.gz PDQKWKJOVWDKCD-WOJBJXKFSA-N 2 1 379.548 3.819 20 0 GHADMP Cc1ccc(Br)cc1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001198613090 874520923 /nfs/dbraw/zinc/52/09/23/874520923.db2.gz VQRHWDVKXVGZDB-UHFFFAOYSA-N 2 1 381.358 3.570 20 0 GHADMP CCC[N@H+](Cc1cc(CO)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000528419675 874546754 /nfs/dbraw/zinc/54/67/54/874546754.db2.gz ZQNIYORFFAMABS-UHFFFAOYSA-N 2 1 386.515 3.606 20 0 GHADMP CCC[N@@H+](Cc1cc(CO)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000528419675 874546763 /nfs/dbraw/zinc/54/67/63/874546763.db2.gz ZQNIYORFFAMABS-UHFFFAOYSA-N 2 1 386.515 3.606 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528442624 874581047 /nfs/dbraw/zinc/58/10/47/874581047.db2.gz WRKPUJAVOJHCOJ-KHYOSLBOSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528442624 874581056 /nfs/dbraw/zinc/58/10/56/874581056.db2.gz WRKPUJAVOJHCOJ-KHYOSLBOSA-N 2 1 393.934 3.827 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1OC ZINC000449214011 874595559 /nfs/dbraw/zinc/59/55/59/874595559.db2.gz LGGSUFLEIBLDPN-GOSISDBHSA-N 2 1 396.531 3.667 20 0 GHADMP COc1cc2ccccc2cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000449236309 874603210 /nfs/dbraw/zinc/60/32/10/874603210.db2.gz XPWCXUSHADRSFR-HSZRJFAPSA-N 2 1 376.500 3.705 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1(C)C ZINC000858121060 882860504 /nfs/dbraw/zinc/86/05/04/882860504.db2.gz SVGPUFGNZOXHLN-IBGZPJMESA-N 2 1 375.557 3.716 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCN(Cc2cccnc2)C(=O)OC(C)(C)C)CC1(C)C ZINC000858125442 882865242 /nfs/dbraw/zinc/86/52/42/882865242.db2.gz FBRKZVCWZFTJIQ-LJQANCHMSA-N 2 1 390.572 3.671 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528616418 874800893 /nfs/dbraw/zinc/80/08/93/874800893.db2.gz MAASWDNAGJWFLY-LEWJYISDSA-N 2 1 389.971 3.781 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528616418 874800902 /nfs/dbraw/zinc/80/09/02/874800902.db2.gz MAASWDNAGJWFLY-LEWJYISDSA-N 2 1 389.971 3.781 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC000528657596 874843497 /nfs/dbraw/zinc/84/34/97/874843497.db2.gz RQFKLLYQKGGUMF-HGSOSGBHSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC000528657596 874843516 /nfs/dbraw/zinc/84/35/16/874843516.db2.gz RQFKLLYQKGGUMF-HGSOSGBHSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC000528657596 874843534 /nfs/dbraw/zinc/84/35/34/874843534.db2.gz RQFKLLYQKGGUMF-HGSOSGBHSA-N 2 1 383.580 3.524 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528671372 874894291 /nfs/dbraw/zinc/89/42/91/874894291.db2.gz XGMDZJNHVUXRNQ-PZJWPPBQSA-N 2 1 389.971 3.639 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528671372 874894295 /nfs/dbraw/zinc/89/42/95/874894295.db2.gz XGMDZJNHVUXRNQ-PZJWPPBQSA-N 2 1 389.971 3.639 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)cc1I ZINC001199354590 874920525 /nfs/dbraw/zinc/92/05/25/874920525.db2.gz WDLOJVSPFVHYPI-JKSUJKDBSA-N 2 1 384.305 3.624 20 0 GHADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542106827 874968784 /nfs/dbraw/zinc/96/87/84/874968784.db2.gz VQVGKPJQQSEERP-TZIWHRDSSA-N 2 1 381.486 3.703 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000105456640 875299085 /nfs/dbraw/zinc/29/90/85/875299085.db2.gz AWDAEKRKHCZSDT-OAHLLOKOSA-N 2 1 379.342 3.935 20 0 GHADMP Cc1cccc([C@@H]2CC[N@@H+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000542323750 875387597 /nfs/dbraw/zinc/38/75/97/875387597.db2.gz ZMKPWRTXCHNCKO-XMMPIXPASA-N 2 1 391.559 3.697 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000303418674 875578358 /nfs/dbraw/zinc/57/83/58/875578358.db2.gz CCIPHUCCDXQYLC-AUSIDOKSSA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000303418674 875578370 /nfs/dbraw/zinc/57/83/70/875578370.db2.gz CCIPHUCCDXQYLC-AUSIDOKSSA-N 2 1 379.548 3.633 20 0 GHADMP C[C@@H](CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451330 875596978 /nfs/dbraw/zinc/59/69/78/875596978.db2.gz SVPIVDUSGHZLTO-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491403031 875672097 /nfs/dbraw/zinc/67/20/97/875672097.db2.gz WFCIGIGMKLORCH-WOJBJXKFSA-N 2 1 389.547 3.573 20 0 GHADMP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000134634069 882963338 /nfs/dbraw/zinc/96/33/38/882963338.db2.gz ABYHGCHCRMCGIN-SIKLNZKXSA-N 2 1 386.584 3.726 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001201626010 875802197 /nfs/dbraw/zinc/80/21/97/875802197.db2.gz HTNDMOKENRHKRD-FQEVSTJZSA-N 2 1 378.438 3.952 20 0 GHADMP FC(F)(F)CC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001202319160 876134790 /nfs/dbraw/zinc/13/47/90/876134790.db2.gz IQCPVESYHVBVOB-PMACEKPBSA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001202319160 876134800 /nfs/dbraw/zinc/13/48/00/876134800.db2.gz IQCPVESYHVBVOB-PMACEKPBSA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001202319160 876134804 /nfs/dbraw/zinc/13/48/04/876134804.db2.gz IQCPVESYHVBVOB-PMACEKPBSA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001202319160 876134812 /nfs/dbraw/zinc/13/48/12/876134812.db2.gz IQCPVESYHVBVOB-PMACEKPBSA-N 2 1 397.485 3.585 20 0 GHADMP Cc1cccc(C[NH+](CCCN2CC[NH+](C(C)C)CC2)Cc2cccc(C)n2)n1 ZINC000192772645 883014829 /nfs/dbraw/zinc/01/48/29/883014829.db2.gz YKQSBLYRLLVNJJ-UHFFFAOYSA-N 2 1 395.595 3.512 20 0 GHADMP CC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660130 883055649 /nfs/dbraw/zinc/05/56/49/883055649.db2.gz ABYQKQMTNFBFKO-NRFANRHFSA-N 2 1 393.510 3.750 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660130 883055666 /nfs/dbraw/zinc/05/56/66/883055666.db2.gz ABYQKQMTNFBFKO-NRFANRHFSA-N 2 1 393.510 3.750 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660130 883055683 /nfs/dbraw/zinc/05/56/83/883055683.db2.gz ABYQKQMTNFBFKO-NRFANRHFSA-N 2 1 393.510 3.750 20 0 GHADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948173 876738478 /nfs/dbraw/zinc/73/84/78/876738478.db2.gz KDCSXPKWVCFJFY-KRWDZBQOSA-N 2 1 393.959 3.552 20 0 GHADMP C[NH+](Cc1cc(C[N@@H+](C)CC2CCOCC2)ccc1F)CC1CCOCC1 ZINC000450658454 876743798 /nfs/dbraw/zinc/74/37/98/876743798.db2.gz NGPPOZMZPAAHNG-UHFFFAOYSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)CC2CCOCC2)c1)CC1CCOCC1 ZINC000450658454 876743816 /nfs/dbraw/zinc/74/38/16/876743816.db2.gz NGPPOZMZPAAHNG-UHFFFAOYSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)CC2CCOCC2)c1)CC1CCOCC1 ZINC000450658454 876743827 /nfs/dbraw/zinc/74/38/27/876743827.db2.gz NGPPOZMZPAAHNG-UHFFFAOYSA-N 2 1 378.532 3.543 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3cc(C)c4ccc(C)cc4n3)C2)CC1 ZINC000450749383 876850861 /nfs/dbraw/zinc/85/08/61/876850861.db2.gz YDCQIAJTGJWGPN-OAQYLSRUSA-N 2 1 394.563 3.622 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C[NH+]1CCCCC1 ZINC000174172507 876880423 /nfs/dbraw/zinc/88/04/23/876880423.db2.gz ZJFFOGPVXDNQNI-GGPKGHCWSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836329 876955742 /nfs/dbraw/zinc/95/57/42/876955742.db2.gz MZGCZHJNIQQLSR-YDHSSHFGSA-N 2 1 392.547 3.777 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836329 876955749 /nfs/dbraw/zinc/95/57/49/876955749.db2.gz MZGCZHJNIQQLSR-YDHSSHFGSA-N 2 1 392.547 3.777 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850574695 877039917 /nfs/dbraw/zinc/03/99/17/877039917.db2.gz IKQXYBSJHRFTSW-KNQAVFIVSA-N 2 1 392.547 3.607 20 0 GHADMP FC1(F)CCCC[C@H]1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450982537 877189011 /nfs/dbraw/zinc/18/90/11/877189011.db2.gz LVEBUEMFJKLQEC-SFTDATJTSA-N 2 1 377.523 3.704 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216570 877326656 /nfs/dbraw/zinc/32/66/56/877326656.db2.gz BOEPBHCHMCFGSZ-ABAIWWIYSA-N 2 1 389.849 3.950 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000477313304 877410894 /nfs/dbraw/zinc/41/08/94/877410894.db2.gz BVEQPJZFTNDBED-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000551572873 877460294 /nfs/dbraw/zinc/46/02/94/877460294.db2.gz XPPMXZBYZFIMJF-WMZHIEFXSA-N 2 1 380.532 3.661 20 0 GHADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000137766561 877608663 /nfs/dbraw/zinc/60/86/63/877608663.db2.gz MKSAYANCGKBMAX-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000137766561 877608666 /nfs/dbraw/zinc/60/86/66/877608666.db2.gz MKSAYANCGKBMAX-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000137766561 877608669 /nfs/dbraw/zinc/60/86/69/877608669.db2.gz MKSAYANCGKBMAX-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP c1ccc(COC[C@H]2CC[N@@H+](C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699423 877663410 /nfs/dbraw/zinc/66/34/10/877663410.db2.gz ANUQBJRSRWYFJE-DQEYMECFSA-N 2 1 394.559 3.816 20 0 GHADMP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000615462805 877774708 /nfs/dbraw/zinc/77/47/08/877774708.db2.gz HPFQTPFHYRIYTK-OAQYLSRUSA-N 2 1 383.561 3.538 20 0 GHADMP C[N@@H+](C[C@H](O)C1CCCCC1)[C@H]1CCC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548092 878034471 /nfs/dbraw/zinc/03/44/71/878034471.db2.gz JUSHMTFVIQEJCL-VABKMULXSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)C1CCCCC1)[C@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548092 878034493 /nfs/dbraw/zinc/03/44/93/878034493.db2.gz JUSHMTFVIQEJCL-VABKMULXSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)C1CCCCC1)[C@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548092 878034513 /nfs/dbraw/zinc/03/45/13/878034513.db2.gz JUSHMTFVIQEJCL-VABKMULXSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000176319951 878211085 /nfs/dbraw/zinc/21/10/85/878211085.db2.gz MWZZRAACHNPBOB-LEWJYISDSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000176319951 878211101 /nfs/dbraw/zinc/21/11/01/878211101.db2.gz MWZZRAACHNPBOB-LEWJYISDSA-N 2 1 398.551 3.584 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(N4CCCC4)nc2)C3)cc1 ZINC000245660174 878313819 /nfs/dbraw/zinc/31/38/19/878313819.db2.gz FLDBNMZKRAZSGI-WBDAEOGXSA-N 2 1 376.548 3.967 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(N4CCCC4)nc2)C3)cc1 ZINC000245660174 878313827 /nfs/dbraw/zinc/31/38/27/878313827.db2.gz FLDBNMZKRAZSGI-WBDAEOGXSA-N 2 1 376.548 3.967 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460648931 878328412 /nfs/dbraw/zinc/32/84/12/878328412.db2.gz NJNBOYJLTODZMK-LEWJYISDSA-N 2 1 392.632 3.937 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001183186970 912337472 /nfs/dbraw/zinc/33/74/72/912337472.db2.gz CRWOEVDSAXIAKX-QKNQBKEWSA-N 2 1 385.552 3.954 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccc(F)cc2)CC1)CC1CC1 ZINC000537847312 878386687 /nfs/dbraw/zinc/38/66/87/878386687.db2.gz QHFSXDGJEVNWST-UHFFFAOYSA-N 2 1 389.559 3.618 20 0 GHADMP CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245688808 878389658 /nfs/dbraw/zinc/38/96/58/878389658.db2.gz JBXWIFZWOCIACS-WOJBJXKFSA-N 2 1 377.960 3.749 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000616078854 878481849 /nfs/dbraw/zinc/48/18/49/878481849.db2.gz AJRMGPBLGMOOJM-LJQANCHMSA-N 2 1 380.602 3.504 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](O)CC(C)(C)C3)cc2)C1 ZINC000451809889 878497202 /nfs/dbraw/zinc/49/72/02/878497202.db2.gz NAXBUQMJPPPNPT-VXKWHMMOSA-N 2 1 388.596 3.652 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245775944 878577232 /nfs/dbraw/zinc/57/72/32/878577232.db2.gz YBLRXKUZTCQYBC-BJESRGMDSA-N 2 1 380.532 3.520 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cn1cccn1 ZINC000853240278 878924114 /nfs/dbraw/zinc/92/41/14/878924114.db2.gz OLJNDUJSLWBVIV-ICSRJNTNSA-N 2 1 382.552 3.713 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246097805 878970301 /nfs/dbraw/zinc/97/03/01/878970301.db2.gz HHHAXROAVRKINC-FGZHOGPDSA-N 2 1 392.632 3.795 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)C3CC3)c2)C1 ZINC000246112330 879003709 /nfs/dbraw/zinc/00/37/09/879003709.db2.gz PUKYNQRLLQQTOC-PKTZIBPZSA-N 2 1 377.532 3.625 20 0 GHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246118406 879015305 /nfs/dbraw/zinc/01/53/05/879015305.db2.gz USQZUBTVZKENDJ-HBGVWJBISA-N 2 1 381.524 3.510 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246118406 879015319 /nfs/dbraw/zinc/01/53/19/879015319.db2.gz USQZUBTVZKENDJ-HBGVWJBISA-N 2 1 381.524 3.510 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000531154048 879213859 /nfs/dbraw/zinc/21/38/59/879213859.db2.gz VZVUCELXUVIXTA-YLJYHZDGSA-N 2 1 377.960 3.714 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000111559318 879255095 /nfs/dbraw/zinc/25/50/95/879255095.db2.gz PIZOWBYWJQDEDX-FQEVSTJZSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312276573 879321744 /nfs/dbraw/zinc/32/17/44/879321744.db2.gz JDRLFDQWNGIGTK-GCJKJVERSA-N 2 1 386.561 3.653 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312276573 879321758 /nfs/dbraw/zinc/32/17/58/879321758.db2.gz JDRLFDQWNGIGTK-GCJKJVERSA-N 2 1 386.561 3.653 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000246301023 879362221 /nfs/dbraw/zinc/36/22/21/879362221.db2.gz DBEDDKWAMAIAJV-SWLSCSKDSA-N 2 1 379.854 3.843 20 0 GHADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000538397794 879420110 /nfs/dbraw/zinc/42/01/10/879420110.db2.gz BRHFVELYIVIQPP-HNNXBMFYSA-N 2 1 394.357 3.874 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246580464 879698721 /nfs/dbraw/zinc/69/87/21/879698721.db2.gz ZHWJHFTVVTXKGZ-MZKRTTBSSA-N 2 1 399.554 3.513 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246580464 879698732 /nfs/dbraw/zinc/69/87/32/879698732.db2.gz ZHWJHFTVVTXKGZ-MZKRTTBSSA-N 2 1 399.554 3.513 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246580464 879698746 /nfs/dbraw/zinc/69/87/46/879698746.db2.gz ZHWJHFTVVTXKGZ-MZKRTTBSSA-N 2 1 399.554 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1Cl ZINC000246610675 879719483 /nfs/dbraw/zinc/71/94/83/879719483.db2.gz RTLGNYLQVVZNNZ-QFBILLFUSA-N 2 1 385.939 3.888 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000531379028 879737311 /nfs/dbraw/zinc/73/73/11/879737311.db2.gz NQCTVFRWWYTYBF-VNQPRFMTSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000531379028 879737326 /nfs/dbraw/zinc/73/73/26/879737326.db2.gz NQCTVFRWWYTYBF-VNQPRFMTSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000531379028 879737330 /nfs/dbraw/zinc/73/73/30/879737330.db2.gz NQCTVFRWWYTYBF-VNQPRFMTSA-N 2 1 375.340 3.538 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000246722511 879775345 /nfs/dbraw/zinc/77/53/45/879775345.db2.gz FTWWVTJGRBDMNO-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000246722511 879775361 /nfs/dbraw/zinc/77/53/61/879775361.db2.gz FTWWVTJGRBDMNO-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000246722511 879775368 /nfs/dbraw/zinc/77/53/68/879775368.db2.gz FTWWVTJGRBDMNO-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000461423115 879780429 /nfs/dbraw/zinc/78/04/29/879780429.db2.gz DPMTXPQWZFUKPF-HJOGWXRNSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000461423115 879780437 /nfs/dbraw/zinc/78/04/37/879780437.db2.gz DPMTXPQWZFUKPF-HJOGWXRNSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000461423115 879780445 /nfs/dbraw/zinc/78/04/45/879780445.db2.gz DPMTXPQWZFUKPF-HJOGWXRNSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247031186 879893725 /nfs/dbraw/zinc/89/37/25/879893725.db2.gz LHTPRAGWFVRTCI-MDZRGWNJSA-N 2 1 391.357 3.677 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247031186 879893747 /nfs/dbraw/zinc/89/37/47/879893747.db2.gz LHTPRAGWFVRTCI-MDZRGWNJSA-N 2 1 391.357 3.677 20 0 GHADMP C(CC[NH+]1CCC[C@@H]1C1CCOCC1)CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538627555 879894725 /nfs/dbraw/zinc/89/47/25/879894725.db2.gz JMIJDZDFKJXIKT-DHIUTWEWSA-N 2 1 378.601 3.939 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000247060509 879904843 /nfs/dbraw/zinc/90/48/43/879904843.db2.gz PCGCPDWWSIKTAU-AUSIDOKSSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000247060509 879904856 /nfs/dbraw/zinc/90/48/56/879904856.db2.gz PCGCPDWWSIKTAU-AUSIDOKSSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000247060509 879904869 /nfs/dbraw/zinc/90/48/69/879904869.db2.gz PCGCPDWWSIKTAU-AUSIDOKSSA-N 2 1 379.548 3.838 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Br)[C@@H](C)C1 ZINC000247152298 879931751 /nfs/dbraw/zinc/93/17/51/879931751.db2.gz XCFAXVDAGGPVFT-FUHWJXTLSA-N 2 1 399.373 3.555 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247327858 879971810 /nfs/dbraw/zinc/97/18/10/879971810.db2.gz IVXBSUUXAAAATO-SJBKTWHCSA-N 2 1 386.584 3.555 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000790744807 879976428 /nfs/dbraw/zinc/97/64/28/879976428.db2.gz BBGCXQONKIMTLM-KWVXMBPFSA-N 2 1 385.552 3.829 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000247578806 880029540 /nfs/dbraw/zinc/02/95/40/880029540.db2.gz YCLGSPMBFQZZSO-HSALFYBXSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183045842 880052427 /nfs/dbraw/zinc/05/24/27/880052427.db2.gz QCHPSDGJBHBXBO-UHFFFAOYSA-N 2 1 381.564 3.870 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H](O)CC(F)(F)F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453005032 880319047 /nfs/dbraw/zinc/31/90/47/880319047.db2.gz ATXCFZTVSGTROS-OALUTQOASA-N 2 1 384.486 3.922 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000184503476 880320589 /nfs/dbraw/zinc/32/05/89/880320589.db2.gz GFIQUGCAFIDZSZ-QHCPKHFHSA-N 2 1 398.595 3.603 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000531704481 880332028 /nfs/dbraw/zinc/33/20/28/880332028.db2.gz QJQISIIJQDUFPM-ACJLOTCBSA-N 2 1 399.398 3.932 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000531723835 880382892 /nfs/dbraw/zinc/38/28/92/880382892.db2.gz JNIFJAFGZCRDFJ-OXJNMPFZSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000531723835 880382908 /nfs/dbraw/zinc/38/29/08/880382908.db2.gz JNIFJAFGZCRDFJ-OXJNMPFZSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2sccc21 ZINC000453054456 880403475 /nfs/dbraw/zinc/40/34/75/880403475.db2.gz BZZRGCGRJSCGNN-JXFKEZNVSA-N 2 1 383.561 3.864 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCCCC1 ZINC000542476950 880441972 /nfs/dbraw/zinc/44/19/72/880441972.db2.gz ABQVACFBZNJANO-LJQANCHMSA-N 2 1 387.568 3.796 20 0 GHADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)cc21 ZINC000453198750 880607605 /nfs/dbraw/zinc/60/76/05/880607605.db2.gz WCOULIUBRXYZPV-GMKZXUHWSA-N 2 1 389.543 3.505 20 0 GHADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)cc21 ZINC000453198750 880607609 /nfs/dbraw/zinc/60/76/09/880607609.db2.gz WCOULIUBRXYZPV-GMKZXUHWSA-N 2 1 389.543 3.505 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000531932029 880784944 /nfs/dbraw/zinc/78/49/44/880784944.db2.gz AGCKVXIYFIUESL-WIYYLYMNSA-N 2 1 395.576 3.573 20 0 GHADMP C[N@H+](Cc1ccc(Br)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000219688145 880795610 /nfs/dbraw/zinc/79/56/10/880795610.db2.gz HIMBAPJIJLAZNR-FUNVUKJBSA-N 2 1 388.147 3.926 20 0 GHADMP C[N@@H+](Cc1ccc(Br)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000219688145 880795621 /nfs/dbraw/zinc/79/56/21/880795621.db2.gz HIMBAPJIJLAZNR-FUNVUKJBSA-N 2 1 388.147 3.926 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000531948442 880807216 /nfs/dbraw/zinc/80/72/16/880807216.db2.gz GVEWQZZNQFFBHD-GMAHTHKFSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000531948442 880807226 /nfs/dbraw/zinc/80/72/26/880807226.db2.gz GVEWQZZNQFFBHD-GMAHTHKFSA-N 2 1 385.596 3.664 20 0 GHADMP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1C ZINC000453417732 880884454 /nfs/dbraw/zinc/88/44/54/880884454.db2.gz CGZDQDHCLDOCDZ-XMMPIXPASA-N 2 1 384.539 3.643 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186727569 880971405 /nfs/dbraw/zinc/97/14/05/880971405.db2.gz ASMOHDNEKLEPSB-QGZVFWFLSA-N 2 1 377.960 3.799 20 0 GHADMP C[C@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792279558 881010647 /nfs/dbraw/zinc/01/06/47/881010647.db2.gz CYZXPWRQAWSWAU-PZJWPPBQSA-N 2 1 394.563 3.581 20 0 GHADMP CCCc1cccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000187135709 881078565 /nfs/dbraw/zinc/07/85/65/881078565.db2.gz WQTCMCXLUZDFNK-UHFFFAOYSA-N 2 1 395.547 3.590 20 0 GHADMP CCCc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000187225951 881110376 /nfs/dbraw/zinc/11/03/76/881110376.db2.gz RCPCAFQYLHEKQM-HSZRJFAPSA-N 2 1 379.548 3.626 20 0 GHADMP COc1c(C)cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000537622984 881186875 /nfs/dbraw/zinc/18/68/75/881186875.db2.gz SECXKZBOKXGGEU-UHFFFAOYSA-N 3 1 387.612 3.940 20 0 GHADMP COc1c(C)cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000537622984 881186882 /nfs/dbraw/zinc/18/68/82/881186882.db2.gz SECXKZBOKXGGEU-UHFFFAOYSA-N 3 1 387.612 3.940 20 0 GHADMP COc1c(C)cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000537622984 881186889 /nfs/dbraw/zinc/18/68/89/881186889.db2.gz SECXKZBOKXGGEU-UHFFFAOYSA-N 3 1 387.612 3.940 20 0 GHADMP C[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144458 881269166 /nfs/dbraw/zinc/26/91/66/881269166.db2.gz CZNQQICDVOARRF-ZKGSSEMHSA-N 2 1 377.576 3.945 20 0 GHADMP CN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144458 881269179 /nfs/dbraw/zinc/26/91/79/881269179.db2.gz CZNQQICDVOARRF-ZKGSSEMHSA-N 2 1 377.576 3.945 20 0 GHADMP CN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144458 881269196 /nfs/dbraw/zinc/26/91/96/881269196.db2.gz CZNQQICDVOARRF-ZKGSSEMHSA-N 2 1 377.576 3.945 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CCN([C@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295891 881315332 /nfs/dbraw/zinc/31/53/32/881315332.db2.gz XDHRWQZVMJBXTN-AEFFLSMTSA-N 2 1 378.944 3.620 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134982 883191225 /nfs/dbraw/zinc/19/12/25/883191225.db2.gz RUGMDCMQXYTZQT-RBBKRZOGSA-N 3 1 381.564 3.800 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134982 883191231 /nfs/dbraw/zinc/19/12/31/883191231.db2.gz RUGMDCMQXYTZQT-RBBKRZOGSA-N 2 1 381.564 3.800 20 0 GHADMP Cc1ccnc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000286328825 912694748 /nfs/dbraw/zinc/69/47/48/912694748.db2.gz XWMDLQXWUYEZOE-IBGZPJMESA-N 2 1 383.536 3.730 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001168158006 883410910 /nfs/dbraw/zinc/41/09/10/883410910.db2.gz BNBBWWQGBPFEAR-UZKOGDIHSA-N 2 1 389.559 3.617 20 0 GHADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2nccn2c1 ZINC000666131493 883448908 /nfs/dbraw/zinc/44/89/08/883448908.db2.gz DTIXDIXSKLWWOY-IBGZPJMESA-N 2 1 389.503 3.758 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000537698151 883508049 /nfs/dbraw/zinc/50/80/49/883508049.db2.gz RPRXJHYKUADXDU-HEFCMCLBSA-N 2 1 376.447 3.908 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000537698151 883508062 /nfs/dbraw/zinc/50/80/62/883508062.db2.gz RPRXJHYKUADXDU-HEFCMCLBSA-N 2 1 376.447 3.908 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000648452068 883522562 /nfs/dbraw/zinc/52/25/62/883522562.db2.gz DQLFPDGMLMAFQE-KDOFPFPSSA-N 2 1 397.332 3.809 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)cc2)CC1 ZINC000551268486 883578384 /nfs/dbraw/zinc/57/83/84/883578384.db2.gz XFHGPCOFXISAJW-XMMPIXPASA-N 2 1 379.548 3.697 20 0 GHADMP CC[C@H](C)N1CC[NH+](CC[Si](C)(C)CCN2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000859325970 883745243 /nfs/dbraw/zinc/74/52/43/883745243.db2.gz AGCCWHWQJSNVQH-VXKWHMMOSA-N 2 1 396.740 3.527 20 0 GHADMP Cn1c(SCC[C@H]2CCCC[NH+]2C)nnc1SCC[C@H]1CCCC[N@H+]1C ZINC000551423940 883850668 /nfs/dbraw/zinc/85/06/68/883850668.db2.gz QNWCLLWPTCIUKG-IAGOWNOFSA-N 2 1 397.658 3.748 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000465437789 883852460 /nfs/dbraw/zinc/85/24/60/883852460.db2.gz WXZGZZSMEXIQDH-JTDSTZFVSA-N 2 1 380.964 3.505 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000194647030 883880867 /nfs/dbraw/zinc/88/08/67/883880867.db2.gz XSHLTKJBNUYKMF-UHFFFAOYSA-N 2 1 390.597 3.620 20 0 GHADMP CCC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[N@H+]1Cc1ccccc1 ZINC001127441119 884071912 /nfs/dbraw/zinc/07/19/12/884071912.db2.gz NIDKIQYQULMCNE-OAQYLSRUSA-N 2 1 376.504 3.769 20 0 GHADMP O=C(OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)C1CC[NH+](C2CC2)CC1 ZINC000805879663 884172743 /nfs/dbraw/zinc/17/27/43/884172743.db2.gz RAWRGURUMFGHMU-INIZCTEOSA-N 2 1 392.490 3.594 20 0 GHADMP Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000542534251 884396449 /nfs/dbraw/zinc/39/64/49/884396449.db2.gz ZDRPPDWWQNUXEA-SQGPQFPESA-N 2 1 385.577 3.795 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000898102527 884607640 /nfs/dbraw/zinc/60/76/40/884607640.db2.gz VKAQPXQNKIOVED-KGWSWXIGSA-N 2 1 399.579 3.932 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000460347399 884927431 /nfs/dbraw/zinc/92/74/31/884927431.db2.gz JIDUISHJQVOMNJ-OALUTQOASA-N 2 1 395.547 3.770 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000460384603 885201009 /nfs/dbraw/zinc/20/10/09/885201009.db2.gz XVESZJKQQDSJJN-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000460384603 885201027 /nfs/dbraw/zinc/20/10/27/885201027.db2.gz XVESZJKQQDSJJN-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP CCc1nc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)ccc2n1C1CC1 ZINC000655765407 885209971 /nfs/dbraw/zinc/20/99/71/885209971.db2.gz FBSRBVYDFPWDND-HXUWFJFHSA-N 2 1 382.552 3.667 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)Cc1ccccc1 ZINC000061070555 885214683 /nfs/dbraw/zinc/21/46/83/885214683.db2.gz SMQVTEKWHKWKRG-NRFANRHFSA-N 2 1 398.551 3.628 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001126789761 885436788 /nfs/dbraw/zinc/43/67/88/885436788.db2.gz DDAXAXKUVSRWEC-LAUBAEHRSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC001126789761 885436803 /nfs/dbraw/zinc/43/68/03/885436803.db2.gz DDAXAXKUVSRWEC-LAUBAEHRSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442299 885450531 /nfs/dbraw/zinc/45/05/31/885450531.db2.gz KSTAJQGUTPYYFM-YLJYHZDGSA-N 2 1 375.557 3.787 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000532447984 885496083 /nfs/dbraw/zinc/49/60/83/885496083.db2.gz JGRATSYTFXGUQV-SQNIBIBYSA-N 2 1 379.976 3.787 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000532447984 885496096 /nfs/dbraw/zinc/49/60/96/885496096.db2.gz JGRATSYTFXGUQV-SQNIBIBYSA-N 2 1 379.976 3.787 20 0 GHADMP COc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1Cl ZINC000556585013 885563398 /nfs/dbraw/zinc/56/33/98/885563398.db2.gz DLRAWMPSGJORBU-HOTGVXAUSA-N 2 1 389.927 3.815 20 0 GHADMP COc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1Cl ZINC000556585013 885563407 /nfs/dbraw/zinc/56/34/07/885563407.db2.gz DLRAWMPSGJORBU-HOTGVXAUSA-N 2 1 389.927 3.815 20 0 GHADMP Cc1csc(N2CCC([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000495374621 885565556 /nfs/dbraw/zinc/56/55/56/885565556.db2.gz RVYPUJWVUYEBBS-AZUAARDMSA-N 2 1 384.593 3.921 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000303453764 885577918 /nfs/dbraw/zinc/57/79/18/885577918.db2.gz JKGUNKXDTJKQPH-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000550626874 885585056 /nfs/dbraw/zinc/58/50/56/885585056.db2.gz CPJXJGGSQCKFBF-GOTSBHOMSA-N 2 1 377.532 3.716 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000550626874 885585069 /nfs/dbraw/zinc/58/50/69/885585069.db2.gz CPJXJGGSQCKFBF-GOTSBHOMSA-N 2 1 377.532 3.716 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000550700073 885922147 /nfs/dbraw/zinc/92/21/47/885922147.db2.gz AFQALRNNQNGBQK-XZOQPEGZSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000550700073 885922157 /nfs/dbraw/zinc/92/21/57/885922157.db2.gz AFQALRNNQNGBQK-XZOQPEGZSA-N 2 1 377.532 3.734 20 0 GHADMP CCN(C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1)c1nc2ccccc2s1 ZINC000532540538 885948227 /nfs/dbraw/zinc/94/82/27/885948227.db2.gz OWOBENZGFZIJCG-UHFFFAOYSA-N 2 1 388.581 3.701 20 0 GHADMP CCN(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1nc2ccccc2s1 ZINC000532540538 885948242 /nfs/dbraw/zinc/94/82/42/885948242.db2.gz OWOBENZGFZIJCG-UHFFFAOYSA-N 2 1 388.581 3.701 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CN2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000808159817 886066559 /nfs/dbraw/zinc/06/65/59/886066559.db2.gz KOKFDFUKZLGMJR-UHFFFAOYSA-N 2 1 378.948 3.592 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000808159817 886066566 /nfs/dbraw/zinc/06/65/66/886066566.db2.gz KOKFDFUKZLGMJR-UHFFFAOYSA-N 2 1 378.948 3.592 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)CC1 ZINC000808172844 886107965 /nfs/dbraw/zinc/10/79/65/886107965.db2.gz XMZZPIFWGCYSCN-SIKLNZKXSA-N 2 1 398.595 3.925 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)CC1 ZINC000808172844 886107972 /nfs/dbraw/zinc/10/79/72/886107972.db2.gz XMZZPIFWGCYSCN-SIKLNZKXSA-N 2 1 398.595 3.925 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1)C1CCOCC1 ZINC000862275981 886273120 /nfs/dbraw/zinc/27/31/20/886273120.db2.gz SKIWERLWJBVNJJ-OAQYLSRUSA-N 2 1 378.582 3.552 20 0 GHADMP c1nc(-c2ccccc2)nn1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762499939 886291742 /nfs/dbraw/zinc/29/17/42/886291742.db2.gz MMTWYRBFXBGKHU-UHFFFAOYSA-N 2 1 387.531 3.891 20 0 GHADMP c1nc(-c2ccccc2)nn1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762499939 886291770 /nfs/dbraw/zinc/29/17/70/886291770.db2.gz MMTWYRBFXBGKHU-UHFFFAOYSA-N 2 1 387.531 3.891 20 0 GHADMP CCC[N@H+](Cc1nc(-c2ccco2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477360 886314026 /nfs/dbraw/zinc/31/40/26/886314026.db2.gz CQWQNZQRRZMNAU-UHFFFAOYSA-N 2 1 396.495 3.617 20 0 GHADMP CCC[N@@H+](Cc1nc(-c2ccco2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477360 886314043 /nfs/dbraw/zinc/31/40/43/886314043.db2.gz CQWQNZQRRZMNAU-UHFFFAOYSA-N 2 1 396.495 3.617 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)N2CCOCC2)o1 ZINC000118996965 886324707 /nfs/dbraw/zinc/32/47/07/886324707.db2.gz YRWAZTBAVXWWIX-NYVOZVTQSA-N 2 1 389.584 3.594 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)s1 ZINC000808450216 886359952 /nfs/dbraw/zinc/35/99/52/886359952.db2.gz CHESCFOOCWIKPM-WKILWMFISA-N 2 1 396.601 3.625 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000118968559 886371677 /nfs/dbraw/zinc/37/16/77/886371677.db2.gz NBTREDIHQXAVCY-UHFFFAOYSA-N 2 1 393.329 3.613 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1C ZINC000118968559 886371691 /nfs/dbraw/zinc/37/16/91/886371691.db2.gz NBTREDIHQXAVCY-UHFFFAOYSA-N 2 1 393.329 3.613 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000556867625 886384777 /nfs/dbraw/zinc/38/47/77/886384777.db2.gz RLBSLNOBVABRRR-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000556867625 886384792 /nfs/dbraw/zinc/38/47/92/886384792.db2.gz RLBSLNOBVABRRR-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP COc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1NC(C)=O ZINC000131971542 886625272 /nfs/dbraw/zinc/62/52/72/886625272.db2.gz OFVJJMHNXCIUMB-OAHLLOKOSA-N 2 1 378.476 3.999 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000429551829 886732584 /nfs/dbraw/zinc/73/25/84/886732584.db2.gz GKRRIFXOXGSBID-QFIPXVFZSA-N 2 1 379.548 3.698 20 0 GHADMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000126789573 887006690 /nfs/dbraw/zinc/00/66/90/887006690.db2.gz LUMYFWIXSYDJEC-HNNXBMFYSA-N 2 1 375.504 3.576 20 0 GHADMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000126789573 887006709 /nfs/dbraw/zinc/00/67/09/887006709.db2.gz LUMYFWIXSYDJEC-HNNXBMFYSA-N 2 1 375.504 3.576 20 0 GHADMP FC(F)(F)CN1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000126789327 887006808 /nfs/dbraw/zinc/00/68/08/887006808.db2.gz LUMYFWIXSYDJEC-OAHLLOKOSA-N 2 1 375.504 3.576 20 0 GHADMP FC(F)(F)CN1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000126789327 887006815 /nfs/dbraw/zinc/00/68/15/887006815.db2.gz LUMYFWIXSYDJEC-OAHLLOKOSA-N 2 1 375.504 3.576 20 0 GHADMP Cc1nccn1CCC[N@@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000762925915 887108928 /nfs/dbraw/zinc/10/89/28/887108928.db2.gz JAAULQJWTURWSJ-XMMPIXPASA-N 2 1 375.516 3.918 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000762925915 887108938 /nfs/dbraw/zinc/10/89/38/887108938.db2.gz JAAULQJWTURWSJ-XMMPIXPASA-N 2 1 375.516 3.918 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000762925915 887108951 /nfs/dbraw/zinc/10/89/51/887108951.db2.gz JAAULQJWTURWSJ-XMMPIXPASA-N 2 1 375.516 3.918 20 0 GHADMP Cc1cc(NCCNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)nc(C(C)C)n1 ZINC000863938508 887471923 /nfs/dbraw/zinc/47/19/23/887471923.db2.gz FWOXEXTYUJYBHM-HXUWFJFHSA-N 2 1 395.551 3.560 20 0 GHADMP FC(F)(F)Cn1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435428668 887473339 /nfs/dbraw/zinc/47/33/39/887473339.db2.gz SYMIVEDRCITVBB-MRXNPFEDSA-N 2 1 384.471 3.651 20 0 GHADMP FC(F)(F)Cn1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435428668 887473346 /nfs/dbraw/zinc/47/33/46/887473346.db2.gz SYMIVEDRCITVBB-MRXNPFEDSA-N 2 1 384.471 3.651 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000131798315 887574994 /nfs/dbraw/zinc/57/49/94/887574994.db2.gz GKGIHNSBRVPRSJ-KRWDZBQOSA-N 2 1 395.507 3.608 20 0 GHADMP C[NH2+]CC1CC[NH+](Cc2cc(Br)c(C)c(Br)c2)CC1 ZINC001235678864 887575427 /nfs/dbraw/zinc/57/54/27/887575427.db2.gz GVMIQEQDFJQZNG-UHFFFAOYSA-N 2 1 390.163 3.951 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc(Br)c1O ZINC000459357768 887636942 /nfs/dbraw/zinc/63/69/42/887636942.db2.gz DEXMMJXPYPQPKY-CZUORRHYSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc(Br)c1O ZINC000459357768 887636951 /nfs/dbraw/zinc/63/69/51/887636951.db2.gz DEXMMJXPYPQPKY-CZUORRHYSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc(Br)c1O ZINC000459357768 887636957 /nfs/dbraw/zinc/63/69/57/887636957.db2.gz DEXMMJXPYPQPKY-CZUORRHYSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc(Br)c1O ZINC000459357768 887636963 /nfs/dbraw/zinc/63/69/63/887636963.db2.gz DEXMMJXPYPQPKY-CZUORRHYSA-N 2 1 385.346 3.716 20 0 GHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000130186653 887726833 /nfs/dbraw/zinc/72/68/33/887726833.db2.gz JTLJJXYQRIAAKS-UHFFFAOYSA-N 2 1 389.902 3.595 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000194055069 887997961 /nfs/dbraw/zinc/99/79/61/887997961.db2.gz CJKCNCMADVAIGL-QFIPXVFZSA-N 2 1 394.563 3.806 20 0 GHADMP NC(=[NH2+])N(C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1F ZINC001184408049 913206864 /nfs/dbraw/zinc/20/68/64/913206864.db2.gz UGULEKYXMUUZPY-OAHLLOKOSA-N 2 1 388.874 3.618 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cc4c(cc[nH]c4=O)o3)cc2)CC1 ZINC000865504778 888394910 /nfs/dbraw/zinc/39/49/10/888394910.db2.gz ZBIXNMLVNITKAS-UHFFFAOYSA-N 2 1 380.492 3.924 20 0 GHADMP C[C@H]([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524850 888408481 /nfs/dbraw/zinc/40/84/81/888408481.db2.gz OMTKIFSZKBJQCN-XHSDSOJGSA-N 2 1 389.531 3.778 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245700509 889282204 /nfs/dbraw/zinc/28/22/04/889282204.db2.gz LRZOSEZGFDVPFX-VMAPGKTHSA-N 2 1 397.607 3.540 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000454599280 889359078 /nfs/dbraw/zinc/35/90/78/889359078.db2.gz PCNJKSYBZGWIRK-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000123836583 889417678 /nfs/dbraw/zinc/41/76/78/889417678.db2.gz YEBOUKHFIUDGHE-AQNXPRMDSA-N 2 1 389.584 3.536 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000123836583 889417684 /nfs/dbraw/zinc/41/76/84/889417684.db2.gz YEBOUKHFIUDGHE-AQNXPRMDSA-N 2 1 389.584 3.536 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245735441 889563263 /nfs/dbraw/zinc/56/32/63/889563263.db2.gz QTSLONQOHMHEJX-BKFWDETESA-N 2 1 377.532 3.973 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245759764 889659740 /nfs/dbraw/zinc/65/97/40/889659740.db2.gz VKCUDKVFUGIFNT-KOUNCHBCSA-N 2 1 398.572 3.765 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245759764 889659745 /nfs/dbraw/zinc/65/97/45/889659745.db2.gz VKCUDKVFUGIFNT-KOUNCHBCSA-N 2 1 398.572 3.765 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[N@@H+]1C ZINC000124571924 889679095 /nfs/dbraw/zinc/67/90/95/889679095.db2.gz GMZQCYVZYNMURS-CMPLNLGQSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[N@H+]1C ZINC000124571924 889679105 /nfs/dbraw/zinc/67/91/05/889679105.db2.gz GMZQCYVZYNMURS-CMPLNLGQSA-N 2 1 376.136 3.784 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795046879 889698012 /nfs/dbraw/zinc/69/80/12/889698012.db2.gz WVAUNURSFXHJHX-DNVJHFABSA-N 2 1 399.579 3.888 20 0 GHADMP CCOc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000644569835 913373119 /nfs/dbraw/zinc/37/31/19/913373119.db2.gz FGOJYKQLEUSWHZ-DENIHFKCSA-N 2 1 398.547 3.640 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccs1 ZINC000125017871 889847810 /nfs/dbraw/zinc/84/78/10/889847810.db2.gz BRKOGZLBDLJCHC-LJQANCHMSA-N 2 1 387.549 3.650 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475956019 890022428 /nfs/dbraw/zinc/02/24/28/890022428.db2.gz IWJHSMWTCSUQAI-XMMPIXPASA-N 2 1 398.595 3.560 20 0 GHADMP COc1cc2[nH+]ccn2cc1N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001170648492 890102520 /nfs/dbraw/zinc/10/25/20/890102520.db2.gz YYOKRNMBDPHZHI-GHBBCFCZSA-N 2 1 376.504 3.975 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000533407815 890478864 /nfs/dbraw/zinc/47/88/64/890478864.db2.gz DKUPAEJHHNJCFS-FQEVSTJZSA-N 2 1 385.552 3.806 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000533407815 890478873 /nfs/dbraw/zinc/47/88/73/890478873.db2.gz DKUPAEJHHNJCFS-FQEVSTJZSA-N 2 1 385.552 3.806 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000126785779 890713441 /nfs/dbraw/zinc/71/34/41/890713441.db2.gz WUBBWBRHCBWCLU-JXFKEZNVSA-N 2 1 392.975 3.506 20 0 GHADMP CC[C@](O)(CCC(F)(F)F)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000897523898 891099990 /nfs/dbraw/zinc/09/99/90/891099990.db2.gz ZBCYYZGBCDLUAN-IBGZPJMESA-N 2 1 390.465 3.906 20 0 GHADMP Brc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCOC2)c1 ZINC000872025264 891122491 /nfs/dbraw/zinc/12/24/91/891122491.db2.gz JMZDZRYCLBKGNU-AITUJVMLSA-N 2 1 379.342 3.743 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C(F)(F)F ZINC000872148182 891182163 /nfs/dbraw/zinc/18/21/63/891182163.db2.gz HYQGHDWNGOYQFO-SJLPKXTDSA-N 2 1 377.410 3.508 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C(F)(F)F ZINC000872148182 891182171 /nfs/dbraw/zinc/18/21/71/891182171.db2.gz HYQGHDWNGOYQFO-SJLPKXTDSA-N 2 1 377.410 3.508 20 0 GHADMP Cc1ccc(Cc2noc(CC3([NH3+])CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000872173784 891197024 /nfs/dbraw/zinc/19/70/24/891197024.db2.gz VESQKRVYYIWBSP-UHFFFAOYSA-N 2 1 376.504 3.505 20 0 GHADMP Cc1ccc(F)cc1-c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872173883 891197507 /nfs/dbraw/zinc/19/75/07/891197507.db2.gz VZABZURNYGHTRG-UHFFFAOYSA-N 2 1 380.467 3.720 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246517695 891281614 /nfs/dbraw/zinc/28/16/14/891281614.db2.gz XHLQLVMFQLSAKB-UXHICEINSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)C1CCCCC1 ZINC000497400032 891500745 /nfs/dbraw/zinc/50/07/45/891500745.db2.gz HYYVNIVQGWYUTE-XXBNENTESA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)C1CCCCC1 ZINC000497400032 891500754 /nfs/dbraw/zinc/50/07/54/891500754.db2.gz HYYVNIVQGWYUTE-XXBNENTESA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)C1CCCCC1 ZINC000497400032 891500761 /nfs/dbraw/zinc/50/07/61/891500761.db2.gz HYYVNIVQGWYUTE-XXBNENTESA-N 2 1 398.595 3.687 20 0 GHADMP COc1cccc(C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc2)c1 ZINC000128286133 891579805 /nfs/dbraw/zinc/57/98/05/891579805.db2.gz DIUZTJRQUIOHTC-DEOSSOPVSA-N 2 1 381.564 3.596 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4nc(-c5ccccn5)no4)C3)CC2)cc1 ZINC000645007670 913602594 /nfs/dbraw/zinc/60/25/94/913602594.db2.gz JUOWNWRXOORMJW-UHFFFAOYSA-N 2 1 389.503 3.620 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4nc(-c5ccccn5)no4)C3)CC2)cc1 ZINC000645007670 913602600 /nfs/dbraw/zinc/60/26/00/913602600.db2.gz JUOWNWRXOORMJW-UHFFFAOYSA-N 2 1 389.503 3.620 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000128545307 892096541 /nfs/dbraw/zinc/09/65/41/892096541.db2.gz BXVOMLXFIBEFMB-CQSZACIVSA-N 2 1 375.891 3.620 20 0 GHADMP O=C1[C@H]2CCCCC[C@@H]2N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223351 892416014 /nfs/dbraw/zinc/41/60/14/892416014.db2.gz GTLWCKYTRLMYSU-VXKWHMMOSA-N 2 1 381.564 3.723 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000128782206 892416225 /nfs/dbraw/zinc/41/62/25/892416225.db2.gz RLOYLQARMMUYQB-HJNYFJLDSA-N 2 1 386.584 3.504 20 0 GHADMP CC(C)[C@@H](C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000497832157 892547375 /nfs/dbraw/zinc/54/73/75/892547375.db2.gz NXUWJTOZSRFLRL-ZJSXRUAMSA-N 2 1 392.547 3.779 20 0 GHADMP CCCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909608 892712087 /nfs/dbraw/zinc/71/20/87/892712087.db2.gz WXYUUWCRJKXULD-GOSISDBHSA-N 2 1 385.474 3.646 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000455620193 892804908 /nfs/dbraw/zinc/80/49/08/892804908.db2.gz SGINPAPQQLLILM-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000455620193 892804930 /nfs/dbraw/zinc/80/49/30/892804930.db2.gz SGINPAPQQLLILM-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000455620193 892804951 /nfs/dbraw/zinc/80/49/51/892804951.db2.gz SGINPAPQQLLILM-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711881 892831302 /nfs/dbraw/zinc/83/13/02/892831302.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711881 892831321 /nfs/dbraw/zinc/83/13/21/892831321.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711881 892831337 /nfs/dbraw/zinc/83/13/37/892831337.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@@H](NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508711881 892831356 /nfs/dbraw/zinc/83/13/56/892831356.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@@H](NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711881 892831369 /nfs/dbraw/zinc/83/13/69/892831369.db2.gz PPMLHCMFLQAKFO-QPPBQGQZSA-N 3 1 377.576 3.935 20 0 GHADMP O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288246784 913705509 /nfs/dbraw/zinc/70/55/09/913705509.db2.gz FXTMZOWNHLZKNB-DEOSSOPVSA-N 2 1 386.499 3.611 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997271 892899355 /nfs/dbraw/zinc/89/93/55/892899355.db2.gz NQGOFHIIPBJETC-RBUKOAKNSA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997271 892899370 /nfs/dbraw/zinc/89/93/70/892899370.db2.gz NQGOFHIIPBJETC-RBUKOAKNSA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997271 892899382 /nfs/dbraw/zinc/89/93/82/892899382.db2.gz NQGOFHIIPBJETC-RBUKOAKNSA-N 2 1 397.485 3.660 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753372 892942503 /nfs/dbraw/zinc/94/25/03/892942503.db2.gz PCNCHUJSZIHLBZ-MYGLTJDJSA-N 2 1 383.580 3.819 20 0 GHADMP C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720810 892973147 /nfs/dbraw/zinc/97/31/47/892973147.db2.gz SFOHGACZMQWOAQ-HKUYNNGSSA-N 2 1 380.511 3.755 20 0 GHADMP C[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722372 892976715 /nfs/dbraw/zinc/97/67/15/892976715.db2.gz XLPYRLIEADOOSZ-WMZOPIPTSA-N 2 1 393.453 3.979 20 0 GHADMP Cc1cccc2c1cc[nH+]c2NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000645166418 913722496 /nfs/dbraw/zinc/72/24/96/913722496.db2.gz SXMVBALGEUMHSX-HXUWFJFHSA-N 2 1 388.515 3.853 20 0 GHADMP Cc1cccc2c1cc[nH+]c2NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000645166418 913722501 /nfs/dbraw/zinc/72/25/01/913722501.db2.gz SXMVBALGEUMHSX-HXUWFJFHSA-N 2 1 388.515 3.853 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4c(ccnc4Cl)o3)c2)CCO1 ZINC000876970373 893415810 /nfs/dbraw/zinc/41/58/10/893415810.db2.gz PUXAXPCHAMSYFA-OAHLLOKOSA-N 2 1 385.895 3.992 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4c(ccnc4Cl)o3)c2)CCO1 ZINC000876970373 893415817 /nfs/dbraw/zinc/41/58/17/893415817.db2.gz PUXAXPCHAMSYFA-OAHLLOKOSA-N 2 1 385.895 3.992 20 0 GHADMP FC(F)(F)c1cnc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c(Cl)c1 ZINC000459432168 893522428 /nfs/dbraw/zinc/52/24/28/893522428.db2.gz KOKJMWWYYFPGCS-CQSZACIVSA-N 2 1 388.865 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000536708491 893610817 /nfs/dbraw/zinc/61/08/17/893610817.db2.gz FJOUTBKMQNXYEE-GOSISDBHSA-N 2 1 385.531 3.883 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCCC34CCCC4)c2)C1 ZINC000556077715 893649085 /nfs/dbraw/zinc/64/90/85/893649085.db2.gz ZTIAOQNJLNNERB-FCHUYYIVSA-N 2 1 383.580 3.977 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cnc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC000877525131 893667149 /nfs/dbraw/zinc/66/71/49/893667149.db2.gz RXPGGDXKYUFAJH-UHFFFAOYSA-N 2 1 385.512 3.517 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc(NC(=O)OC(C)(C)C)cn2)cc1 ZINC000877525131 893667154 /nfs/dbraw/zinc/66/71/54/893667154.db2.gz RXPGGDXKYUFAJH-UHFFFAOYSA-N 2 1 385.512 3.517 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cc4ccccc4o3)CC2)CC1 ZINC000563383054 893683374 /nfs/dbraw/zinc/68/33/74/893683374.db2.gz BLDRPBNIKKAGDD-UHFFFAOYSA-N 2 1 383.536 3.588 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000536783194 893804204 /nfs/dbraw/zinc/80/42/04/893804204.db2.gz HYIFDIVRCUKILQ-UHFFFAOYSA-N 2 1 394.563 3.960 20 0 GHADMP COc1cc2ccccc2cc1-c1nnc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000877970279 893921068 /nfs/dbraw/zinc/92/10/68/893921068.db2.gz MLDOKSUAXBWTPD-UHFFFAOYSA-N 2 1 380.492 3.672 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cnn1-c1cc(C)ccc1C ZINC000536845829 893924781 /nfs/dbraw/zinc/92/47/81/893924781.db2.gz PAGVDXRJZGXECA-ANJVHQHFSA-N 2 1 396.579 3.826 20 0 GHADMP Brc1cc2c(s1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000815579406 894019502 /nfs/dbraw/zinc/01/95/02/894019502.db2.gz MOHVBESAEOKVJH-DZGCQCFKSA-N 2 1 385.371 3.731 20 0 GHADMP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000878132371 894040980 /nfs/dbraw/zinc/04/09/80/894040980.db2.gz SWWXOWLIUYSVKY-SFHVURJKSA-N 2 1 395.547 3.565 20 0 GHADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000878132371 894040996 /nfs/dbraw/zinc/04/09/96/894040996.db2.gz SWWXOWLIUYSVKY-SFHVURJKSA-N 2 1 395.547 3.565 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000459735776 894128166 /nfs/dbraw/zinc/12/81/66/894128166.db2.gz PPSIHNFUNNJMJT-IBGZPJMESA-N 2 1 375.520 3.756 20 0 GHADMP C[C@@H](C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000459752231 894147461 /nfs/dbraw/zinc/14/74/61/894147461.db2.gz BGNWESZNMQBWDP-SFHVURJKSA-N 2 1 389.584 3.627 20 0 GHADMP C([C@@H](C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000878291167 894168768 /nfs/dbraw/zinc/16/87/68/894168768.db2.gz HGNKYRXJARVHSP-KEJFTWOCSA-N 2 1 390.612 3.510 20 0 GHADMP C([C@H](C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000878291167 894168774 /nfs/dbraw/zinc/16/87/74/894168774.db2.gz HGNKYRXJARVHSP-KEJFTWOCSA-N 2 1 390.612 3.510 20 0 GHADMP C([C@H](C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000878291167 894168783 /nfs/dbraw/zinc/16/87/83/894168783.db2.gz HGNKYRXJARVHSP-KEJFTWOCSA-N 2 1 390.612 3.510 20 0 GHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)C1 ZINC000563958224 894371586 /nfs/dbraw/zinc/37/15/86/894371586.db2.gz SVXWZRWAEFPLPK-HNNXBMFYSA-N 2 1 391.357 3.800 20 0 GHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)C1 ZINC000563958224 894371602 /nfs/dbraw/zinc/37/16/02/894371602.db2.gz SVXWZRWAEFPLPK-HNNXBMFYSA-N 2 1 391.357 3.800 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1c2ccccc2CCc2ccccc21 ZINC000563957780 894372259 /nfs/dbraw/zinc/37/22/59/894372259.db2.gz SKIYSLATAIDQFB-YADHBBJMSA-N 2 1 389.543 3.771 20 0 GHADMP C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537289666 894711811 /nfs/dbraw/zinc/71/18/11/894711811.db2.gz HYAOKTUFPDHJCH-CDNPAEQRSA-N 2 1 377.532 3.507 20 0 GHADMP c1cnc([C@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@H]2c2ncccn2)nc1 ZINC000878976758 894760942 /nfs/dbraw/zinc/76/09/42/894760942.db2.gz WBOMHRAQTDMVFA-BGYRXZFFSA-N 2 1 380.540 3.801 20 0 GHADMP c1cnc([C@H]2CCC[N@H+]2CCCCCC[NH+]2CCC[C@H]2c2ncccn2)nc1 ZINC000878976758 894760958 /nfs/dbraw/zinc/76/09/58/894760958.db2.gz WBOMHRAQTDMVFA-BGYRXZFFSA-N 2 1 380.540 3.801 20 0 GHADMP c1cnc([C@H]2CCC[N@@H+]2CCCCCC[NH+]2CCC[C@H]2c2ncccn2)nc1 ZINC000878976758 894760973 /nfs/dbraw/zinc/76/09/73/894760973.db2.gz WBOMHRAQTDMVFA-BGYRXZFFSA-N 2 1 380.540 3.801 20 0 GHADMP COc1ccc([C@@H](C)C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000564308065 894846220 /nfs/dbraw/zinc/84/62/20/894846220.db2.gz ZWZHFBAEWZFYCO-URXFXBBRSA-N 2 1 393.575 3.691 20 0 GHADMP O[C@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000817275161 895459224 /nfs/dbraw/zinc/45/92/24/895459224.db2.gz WTLZPZWABDCGPX-DHIUTWEWSA-N 2 1 398.547 3.980 20 0 GHADMP O[C@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000817275161 895459230 /nfs/dbraw/zinc/45/92/30/895459230.db2.gz WTLZPZWABDCGPX-DHIUTWEWSA-N 2 1 398.547 3.980 20 0 GHADMP O[C@@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000817275162 895459536 /nfs/dbraw/zinc/45/95/36/895459536.db2.gz WTLZPZWABDCGPX-GOTSBHOMSA-N 2 1 398.547 3.980 20 0 GHADMP O[C@@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000817275162 895459545 /nfs/dbraw/zinc/45/95/45/895459545.db2.gz WTLZPZWABDCGPX-GOTSBHOMSA-N 2 1 398.547 3.980 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000289017394 914001410 /nfs/dbraw/zinc/00/14/10/914001410.db2.gz AMLROHICXBUUPY-GOEBONIOSA-N 2 1 386.483 3.510 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000289017394 914001431 /nfs/dbraw/zinc/00/14/31/914001431.db2.gz AMLROHICXBUUPY-GOEBONIOSA-N 2 1 386.483 3.510 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000289017394 914001449 /nfs/dbraw/zinc/00/14/49/914001449.db2.gz AMLROHICXBUUPY-GOEBONIOSA-N 2 1 386.483 3.510 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000289017394 914001468 /nfs/dbraw/zinc/00/14/68/914001468.db2.gz AMLROHICXBUUPY-GOEBONIOSA-N 2 1 386.483 3.510 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3nc4ccccc4c(=O)[nH]3)C2)s1 ZINC000565661817 895792296 /nfs/dbraw/zinc/79/22/96/895792296.db2.gz RCCFLKVEANSOON-KRWDZBQOSA-N 2 1 396.560 3.702 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCc3nc4ccccc4c(=O)[nH]3)C2)s1 ZINC000565661817 895792313 /nfs/dbraw/zinc/79/23/13/895792313.db2.gz RCCFLKVEANSOON-KRWDZBQOSA-N 2 1 396.560 3.702 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3nc4ccccc4c(=O)[nH]3)C2)s1 ZINC000565661817 895792323 /nfs/dbraw/zinc/79/23/23/895792323.db2.gz RCCFLKVEANSOON-KRWDZBQOSA-N 2 1 396.560 3.702 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000565827538 895915633 /nfs/dbraw/zinc/91/56/33/895915633.db2.gz AGVFRRGNLHYTMB-OFNKIYASSA-N 3 1 392.478 3.665 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]21 ZINC000565833397 895918181 /nfs/dbraw/zinc/91/81/81/895918181.db2.gz BCNWCEODCCYAPN-YTQUADARSA-N 2 1 378.442 3.509 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000565881695 895954769 /nfs/dbraw/zinc/95/47/69/895954769.db2.gz KQVXVTOCJFEPKY-QHCPKHFHSA-N 2 1 378.520 3.665 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000566042573 896067969 /nfs/dbraw/zinc/06/79/69/896067969.db2.gz OLXPFDFFKGXEFL-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3cc(F)ccc3F)CC2)cs1 ZINC000819049187 896340862 /nfs/dbraw/zinc/34/08/62/896340862.db2.gz HPALBIDHJHKAAM-LJQANCHMSA-N 2 1 395.519 3.519 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000566534911 896359176 /nfs/dbraw/zinc/35/91/76/896359176.db2.gz SLYRZJUWNYCEQU-PKTZIBPZSA-N 2 1 383.580 3.751 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000819079300 896391812 /nfs/dbraw/zinc/39/18/12/896391812.db2.gz ULWPWMLLRPTFJO-HTAPYJJXSA-N 2 1 384.520 3.552 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000819079301 896392346 /nfs/dbraw/zinc/39/23/46/896392346.db2.gz ULWPWMLLRPTFJO-JTSKRJEESA-N 2 1 384.520 3.552 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000819137371 896394833 /nfs/dbraw/zinc/39/48/33/896394833.db2.gz BRRVJDHMMOVQOF-DENIHFKCSA-N 2 1 394.563 3.724 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000819137371 896394846 /nfs/dbraw/zinc/39/48/46/896394846.db2.gz BRRVJDHMMOVQOF-DENIHFKCSA-N 2 1 394.563 3.724 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000566593967 896400268 /nfs/dbraw/zinc/40/02/68/896400268.db2.gz QMRJUPCFMITPEA-UHFFFAOYSA-N 2 1 380.536 3.762 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)c3cc(F)ccc3F)cc2)CC1 ZINC000819443640 896676575 /nfs/dbraw/zinc/67/65/75/896676575.db2.gz AKSLLAINVVCCQA-JOCHJYFZSA-N 2 1 389.490 3.888 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc(OC)c1 ZINC000567109876 896881603 /nfs/dbraw/zinc/88/16/03/896881603.db2.gz FBZKRSSVHJUBAL-HXUWFJFHSA-N 2 1 395.547 3.903 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc(OC)c1 ZINC000567109876 896881617 /nfs/dbraw/zinc/88/16/17/896881617.db2.gz FBZKRSSVHJUBAL-HXUWFJFHSA-N 2 1 395.547 3.903 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000567137413 896903090 /nfs/dbraw/zinc/90/30/90/896903090.db2.gz IVVPBGBMLFACDD-HOTGVXAUSA-N 2 1 378.476 3.867 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001136252689 896907642 /nfs/dbraw/zinc/90/76/42/896907642.db2.gz NOHVVVHGKFLDDC-TXTKFYIRSA-N 2 1 385.596 3.901 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001136258216 896935923 /nfs/dbraw/zinc/93/59/23/896935923.db2.gz PCKRBKPXEMCINK-QHCPKHFHSA-N 2 1 397.607 3.917 20 0 GHADMP Clc1cccc2c1C[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)CC2 ZINC001170936213 896967315 /nfs/dbraw/zinc/96/73/15/896967315.db2.gz NEXPXCSXNCJGFL-IBGZPJMESA-N 2 1 398.982 3.938 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000820009801 897082899 /nfs/dbraw/zinc/08/28/99/897082899.db2.gz SMAAXSXSFADTDK-KUWBRRTOSA-N 2 1 389.543 3.576 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000820009801 897082913 /nfs/dbraw/zinc/08/29/13/897082913.db2.gz SMAAXSXSFADTDK-KUWBRRTOSA-N 2 1 389.543 3.576 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000820009801 897082926 /nfs/dbraw/zinc/08/29/26/897082926.db2.gz SMAAXSXSFADTDK-KUWBRRTOSA-N 2 1 389.543 3.576 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000820009801 897082936 /nfs/dbraw/zinc/08/29/36/897082936.db2.gz SMAAXSXSFADTDK-KUWBRRTOSA-N 2 1 389.543 3.576 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000567895289 897475826 /nfs/dbraw/zinc/47/58/26/897475826.db2.gz CAUVOGYDICCZHE-FCHUYYIVSA-N 2 1 377.532 3.541 20 0 GHADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cc(F)ccc1F ZINC000568200962 897670733 /nfs/dbraw/zinc/67/07/33/897670733.db2.gz DMXNNQAESVUPRL-NRFANRHFSA-N 2 1 393.522 3.728 20 0 GHADMP O=C([C@H]1CC[C@@H](Nc2ccccn2)CC1)N1CC[NH+](CCc2cccs2)CC1 ZINC001136403892 897687812 /nfs/dbraw/zinc/68/78/12/897687812.db2.gz IEKPENRUTNZZNK-KDURUIRLSA-N 2 1 398.576 3.501 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(c4ccccc4C)CC3)CC2)CC1 ZINC000568291979 897717940 /nfs/dbraw/zinc/71/79/40/897717940.db2.gz ZNKXJZCHLCKYSN-UHFFFAOYSA-N 2 1 397.607 3.897 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000568291254 897718552 /nfs/dbraw/zinc/71/85/52/897718552.db2.gz DGULWVXJRUTURT-QHCPKHFHSA-N 2 1 383.580 3.937 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH3+])o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000646029651 914200956 /nfs/dbraw/zinc/20/09/56/914200956.db2.gz WOTAAEFCHLCFKV-RDTXWAMCSA-N 2 1 395.425 3.570 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)c(SC)c(F)c3)CC2)CC1 ZINC000568530685 897914431 /nfs/dbraw/zinc/91/44/31/897914431.db2.gz SXJCZZVSWGIFIA-UHFFFAOYSA-N 2 1 397.535 3.822 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000568624559 897992422 /nfs/dbraw/zinc/99/24/22/897992422.db2.gz OWPMXWQPESQEIH-FDDCHVKYSA-N 2 1 377.532 3.564 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4cc(C)cc(C)c4)C3)CC2)CC1 ZINC000568647778 898005809 /nfs/dbraw/zinc/00/58/09/898005809.db2.gz UZJZXSILVBOONV-QFIPXVFZSA-N 2 1 397.607 3.816 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cc(Cl)ccc3F)CC2)CC1 ZINC000568661307 898016109 /nfs/dbraw/zinc/01/61/09/898016109.db2.gz MQNBWPVEFCRSJM-UHFFFAOYSA-N 2 1 395.950 3.634 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC12CCOCC2 ZINC000569004233 898268972 /nfs/dbraw/zinc/26/89/72/898268972.db2.gz ZGQOGKFDEFJZKS-IBGZPJMESA-N 2 1 386.486 3.784 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(-c4ncco4)ccc3C)CC2)CC1 ZINC000569235714 898453326 /nfs/dbraw/zinc/45/33/26/898453326.db2.gz PLDUQZAGPIOMNZ-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001136656353 898789108 /nfs/dbraw/zinc/78/91/08/898789108.db2.gz CXHBRMMTAIBUBB-ILBGXUMGSA-N 2 1 393.575 3.533 20 0 GHADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001136656353 898789123 /nfs/dbraw/zinc/78/91/23/898789123.db2.gz CXHBRMMTAIBUBB-ILBGXUMGSA-N 2 1 393.575 3.533 20 0 GHADMP CC(C)[NH+](C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001136656353 898789132 /nfs/dbraw/zinc/78/91/32/898789132.db2.gz CXHBRMMTAIBUBB-ILBGXUMGSA-N 2 1 393.575 3.533 20 0 GHADMP Oc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc(C(F)(F)F)c1 ZINC000289670005 914288763 /nfs/dbraw/zinc/28/87/63/914288763.db2.gz ZPWVLZYSKZYZOB-UHFFFAOYSA-N 2 1 394.437 3.658 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000569836602 898977796 /nfs/dbraw/zinc/97/77/96/898977796.db2.gz WRJQSXHDTFJBGE-HXUWFJFHSA-N 2 1 394.991 3.706 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CCC[NH+]1CCCCC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823649417 899160322 /nfs/dbraw/zinc/16/03/22/899160322.db2.gz DJZJLIXOCJTPRQ-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP Fc1c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)ccnc1Cl ZINC000823670930 899180510 /nfs/dbraw/zinc/18/05/10/899180510.db2.gz FUDXXDKNJKZEFH-UHFFFAOYSA-N 2 1 390.934 3.562 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000772875441 899221818 /nfs/dbraw/zinc/22/18/18/899221818.db2.gz LVHPIZMCYQUBND-ICSRJNTNSA-N 2 1 397.604 3.644 20 0 GHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823850440 899278623 /nfs/dbraw/zinc/27/86/23/899278623.db2.gz CRAIUXRPHBNOOT-YOEHRIQHSA-N 2 1 387.351 3.994 20 0 GHADMP Clc1cccc2c1CC[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001171043412 899369024 /nfs/dbraw/zinc/36/90/24/899369024.db2.gz DYHXHNHCSPKMGN-LJQANCHMSA-N 2 1 398.982 3.938 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000570676402 899498937 /nfs/dbraw/zinc/49/89/37/899498937.db2.gz ODQCBVIWJAATKH-QUURXOELSA-N 2 1 394.559 3.702 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC001136878205 899609218 /nfs/dbraw/zinc/60/92/18/899609218.db2.gz POYJXMGVOADOBX-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP C[N@@H+](Cc1c(Cl)nccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001136898019 899690139 /nfs/dbraw/zinc/69/01/39/899690139.db2.gz RQTQNTLDMVCUOX-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP C[N@H+](Cc1c(Cl)nccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001136898019 899690144 /nfs/dbraw/zinc/69/01/44/899690144.db2.gz RQTQNTLDMVCUOX-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP C[C@@H](NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1Cl ZINC000824546388 899702900 /nfs/dbraw/zinc/70/29/00/899702900.db2.gz IIJXNMVEPUBWLC-OAHLLOKOSA-N 2 1 396.926 3.835 20 0 GHADMP CCOC(=O)CC1([NH3+])CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171074923 900017955 /nfs/dbraw/zinc/01/79/55/900017955.db2.gz VTLBUXJVTKGDIT-HNNXBMFYSA-N 2 1 385.335 3.597 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000572511514 900209884 /nfs/dbraw/zinc/20/98/84/900209884.db2.gz BSIFWVVUZFVEPO-DEOSSOPVSA-N 2 1 392.547 3.974 20 0 GHADMP CC(C)(C)OC(=O)C1([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CCC([NH3+])CC1 ZINC001171093834 900242436 /nfs/dbraw/zinc/24/24/36/900242436.db2.gz IVXQXGHNVYFHKE-WBTXTPOCSA-N 2 1 378.944 3.769 20 0 GHADMP CC[N@H+](C)[C@H](c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)c1ccccc1 ZINC000573014947 900343096 /nfs/dbraw/zinc/34/30/96/900343096.db2.gz HLOVDMSMWJIIMO-NRFANRHFSA-N 2 1 391.519 3.530 20 0 GHADMP CC[N@@H+](C)[C@H](c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)c1ccccc1 ZINC000573014947 900343099 /nfs/dbraw/zinc/34/30/99/900343099.db2.gz HLOVDMSMWJIIMO-NRFANRHFSA-N 2 1 391.519 3.530 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328865 900701395 /nfs/dbraw/zinc/70/13/95/900701395.db2.gz ZKEUPRLQICTRJC-DYESRHJHSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328865 900701403 /nfs/dbraw/zinc/70/14/03/900701403.db2.gz ZKEUPRLQICTRJC-DYESRHJHSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328865 900701410 /nfs/dbraw/zinc/70/14/10/900701410.db2.gz ZKEUPRLQICTRJC-DYESRHJHSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328865 900701416 /nfs/dbraw/zinc/70/14/16/900701416.db2.gz ZKEUPRLQICTRJC-DYESRHJHSA-N 2 1 376.541 3.991 20 0 GHADMP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001143982542 900842525 /nfs/dbraw/zinc/84/25/25/900842525.db2.gz SGMKGZONLAXWPJ-QEFHDYNCSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001143982542 900842533 /nfs/dbraw/zinc/84/25/33/900842533.db2.gz SGMKGZONLAXWPJ-QEFHDYNCSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001143982542 900842544 /nfs/dbraw/zinc/84/25/44/900842544.db2.gz SGMKGZONLAXWPJ-QEFHDYNCSA-N 2 1 397.607 3.866 20 0 GHADMP CN(CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050435 900977181 /nfs/dbraw/zinc/97/71/81/900977181.db2.gz TWKFDOABYYLNHD-JOCHJYFZSA-N 2 1 399.966 3.943 20 0 GHADMP CN(CC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050435 900977188 /nfs/dbraw/zinc/97/71/88/900977188.db2.gz TWKFDOABYYLNHD-JOCHJYFZSA-N 2 1 399.966 3.943 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000575122820 901124811 /nfs/dbraw/zinc/12/48/11/901124811.db2.gz FPBCTRHHUOPUNF-JOCHJYFZSA-N 2 1 398.572 3.518 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000575122820 901124817 /nfs/dbraw/zinc/12/48/17/901124817.db2.gz FPBCTRHHUOPUNF-JOCHJYFZSA-N 2 1 398.572 3.518 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529015 901127961 /nfs/dbraw/zinc/12/79/61/901127961.db2.gz VMDHVSZVZICAFJ-NPJMLQJUSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529015 901127967 /nfs/dbraw/zinc/12/79/67/901127967.db2.gz VMDHVSZVZICAFJ-NPJMLQJUSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529015 901127976 /nfs/dbraw/zinc/12/79/76/901127976.db2.gz VMDHVSZVZICAFJ-NPJMLQJUSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529015 901127982 /nfs/dbraw/zinc/12/79/82/901127982.db2.gz VMDHVSZVZICAFJ-NPJMLQJUSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529015 901127991 /nfs/dbraw/zinc/12/79/91/901127991.db2.gz VMDHVSZVZICAFJ-NPJMLQJUSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529015 901127999 /nfs/dbraw/zinc/12/79/99/901127999.db2.gz VMDHVSZVZICAFJ-NPJMLQJUSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529015 901128006 /nfs/dbraw/zinc/12/80/06/901128006.db2.gz VMDHVSZVZICAFJ-NPJMLQJUSA-N 3 1 399.623 3.766 20 0 GHADMP CNC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000886605604 901185927 /nfs/dbraw/zinc/18/59/27/901185927.db2.gz VDCXLOGTYFZZNZ-MALNDZBISA-N 2 1 377.532 3.507 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)[nH+]c1C ZINC000886664713 901215141 /nfs/dbraw/zinc/21/51/41/901215141.db2.gz VPKBDOYWEFZDJD-KRWDZBQOSA-N 2 1 381.442 3.828 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144195581 901234496 /nfs/dbraw/zinc/23/44/96/901234496.db2.gz VWKIDWBAEJWTRT-QGZVFWFLSA-N 2 1 398.482 3.551 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc(CC[NH+]3CCC(C)CC3)c1)CC2 ZINC000576045872 901615052 /nfs/dbraw/zinc/61/50/52/901615052.db2.gz UJWDQJMXVUQVNK-FQEVSTJZSA-N 2 1 380.536 3.667 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccc4c(c3)OCCO4)CC23CC3)cc1 ZINC000576106869 901686577 /nfs/dbraw/zinc/68/65/77/901686577.db2.gz ROWLNYDQILJXQP-OAQYLSRUSA-N 2 1 378.516 3.787 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccc4c(c3)OCCO4)CC23CC3)cc1 ZINC000576106869 901686583 /nfs/dbraw/zinc/68/65/83/901686583.db2.gz ROWLNYDQILJXQP-OAQYLSRUSA-N 2 1 378.516 3.787 20 0 GHADMP CC(C)CO[C@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670986 902177702 /nfs/dbraw/zinc/17/77/02/902177702.db2.gz YYGDOTCPSWRYAO-GOTSBHOMSA-N 2 1 389.584 3.575 20 0 GHADMP CC(C)CO[C@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OCC(C)C)C3)c2)C1 ZINC000576670986 902177707 /nfs/dbraw/zinc/17/77/07/902177707.db2.gz YYGDOTCPSWRYAO-GOTSBHOMSA-N 2 1 389.584 3.575 20 0 GHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000290294917 914615034 /nfs/dbraw/zinc/61/50/34/914615034.db2.gz DLYYHYMHMOSOHG-OAQYLSRUSA-N 2 1 382.552 3.692 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000290294917 914615041 /nfs/dbraw/zinc/61/50/41/914615041.db2.gz DLYYHYMHMOSOHG-OAQYLSRUSA-N 2 1 382.552 3.692 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000126900306 902388159 /nfs/dbraw/zinc/38/81/59/902388159.db2.gz VUYXKWZNTLNXMF-ROUUACIJSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000126900306 902388166 /nfs/dbraw/zinc/38/81/66/902388166.db2.gz VUYXKWZNTLNXMF-ROUUACIJSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778974680 902392409 /nfs/dbraw/zinc/39/24/09/902392409.db2.gz GFSPLXXXHYNHKM-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1)N1CCCCC1 ZINC000577063431 902477469 /nfs/dbraw/zinc/47/74/69/902477469.db2.gz HEWWHVRQDZVMGN-XPWALMASSA-N 2 1 395.591 3.954 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1)N1CCCCC1 ZINC000577063431 902477476 /nfs/dbraw/zinc/47/74/76/902477476.db2.gz HEWWHVRQDZVMGN-XPWALMASSA-N 2 1 395.591 3.954 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)C[C@H]3C)CC2)CC1 ZINC000577229982 902602380 /nfs/dbraw/zinc/60/23/80/902602380.db2.gz VADYRZYOFVCVAV-OFNKIYASSA-N 2 1 397.607 3.977 20 0 GHADMP CN(CC[N@@H+](C)Cc1c(OC(F)F)ccc2ccccc21)C1CC[NH+](C)CC1 ZINC000577284699 902646479 /nfs/dbraw/zinc/64/64/79/902646479.db2.gz FSMCBHQHYRRZRW-UHFFFAOYSA-N 2 1 391.506 3.899 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000577370805 902717901 /nfs/dbraw/zinc/71/79/01/902717901.db2.gz GOQXDKKQSAUPCJ-MRXNPFEDSA-N 2 1 380.414 3.719 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000577377292 902724388 /nfs/dbraw/zinc/72/43/88/902724388.db2.gz GQRGUXMWCXRHLT-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3ccc(F)cc3SC)CC2)CC1 ZINC000646546029 914653837 /nfs/dbraw/zinc/65/38/37/914653837.db2.gz CSJNLJWDRUVNID-UHFFFAOYSA-N 2 1 394.560 3.572 20 0 GHADMP [NH3+]CCCCCn1cc(-c2csc([C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)nn1 ZINC000887541198 902775053 /nfs/dbraw/zinc/77/50/53/902775053.db2.gz BXXGCZYGOCVZDK-SFHVURJKSA-N 2 1 396.564 3.520 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577629591 902972765 /nfs/dbraw/zinc/97/27/65/902972765.db2.gz DKXFPZUMRQUVBV-ICSRJNTNSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577629591 902972771 /nfs/dbraw/zinc/97/27/71/902972771.db2.gz DKXFPZUMRQUVBV-ICSRJNTNSA-N 2 1 381.923 3.509 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCc4ccc(OC)cc43)CC2)CC1 ZINC000578024308 903454807 /nfs/dbraw/zinc/45/48/07/903454807.db2.gz UOIDOHUBHMPRLE-UHFFFAOYSA-N 2 1 399.579 3.561 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1)C(C)C ZINC001171278594 903562454 /nfs/dbraw/zinc/56/24/54/903562454.db2.gz NDVNXZINVCYKOC-UHFFFAOYSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC001146747953 903600649 /nfs/dbraw/zinc/60/06/49/903600649.db2.gz FSPXNLGRKAZNQR-ZJSXRUAMSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001146747953 903600653 /nfs/dbraw/zinc/60/06/53/903600653.db2.gz FSPXNLGRKAZNQR-ZJSXRUAMSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001146747953 903600664 /nfs/dbraw/zinc/60/06/64/903600664.db2.gz FSPXNLGRKAZNQR-ZJSXRUAMSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC001146747950 903600822 /nfs/dbraw/zinc/60/08/22/903600822.db2.gz FSPXNLGRKAZNQR-QPPBQGQZSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001146747950 903600827 /nfs/dbraw/zinc/60/08/27/903600827.db2.gz FSPXNLGRKAZNQR-QPPBQGQZSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001146747950 903600832 /nfs/dbraw/zinc/60/08/32/903600832.db2.gz FSPXNLGRKAZNQR-QPPBQGQZSA-N 2 1 393.575 3.578 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OCc1ccncc1 ZINC000290572704 914739036 /nfs/dbraw/zinc/73/90/36/914739036.db2.gz TYYLYXAFGIIEOR-QFIPXVFZSA-N 2 1 395.547 3.833 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001171298754 903716817 /nfs/dbraw/zinc/71/68/17/903716817.db2.gz MQRSUQCYDJWFDH-DCSJCSGWSA-N 2 1 382.935 3.926 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001171298754 903716823 /nfs/dbraw/zinc/71/68/23/903716823.db2.gz MQRSUQCYDJWFDH-DCSJCSGWSA-N 2 1 382.935 3.926 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CCC2)o1 ZINC000578580012 903980148 /nfs/dbraw/zinc/98/01/48/903980148.db2.gz PVJAFWUDCPJXAB-GMAHTHKFSA-N 2 1 395.547 3.916 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171481862 904724120 /nfs/dbraw/zinc/72/41/20/904724120.db2.gz JFQALHCIOYMGKB-ZWKOTPCHSA-N 2 1 378.507 3.834 20 0 GHADMP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000579655883 904777869 /nfs/dbraw/zinc/77/78/69/904777869.db2.gz NAVSTBDCEVAUEJ-XZOQPEGZSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000579655883 904777872 /nfs/dbraw/zinc/77/78/72/904777872.db2.gz NAVSTBDCEVAUEJ-XZOQPEGZSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000579655883 904777880 /nfs/dbraw/zinc/77/78/80/904777880.db2.gz NAVSTBDCEVAUEJ-XZOQPEGZSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000579655883 904777887 /nfs/dbraw/zinc/77/78/87/904777887.db2.gz NAVSTBDCEVAUEJ-XZOQPEGZSA-N 2 1 378.564 3.880 20 0 GHADMP COc1cccc(C2([NH3+])CC[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)CC2)c1 ZINC001171522794 904800807 /nfs/dbraw/zinc/80/08/07/904800807.db2.gz DUXYSLCXIFOSBV-INIZCTEOSA-N 2 1 390.449 3.920 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)CC1 ZINC001171592998 904819392 /nfs/dbraw/zinc/81/93/92/904819392.db2.gz HUQQLZVWKMEQOT-RTBURBONSA-N 2 1 397.604 3.501 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C2)C1 ZINC001171612420 904871631 /nfs/dbraw/zinc/87/16/31/904871631.db2.gz JHSHFHDTUNCMQG-FGSXEWAUSA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C2)C1 ZINC001171612420 904871639 /nfs/dbraw/zinc/87/16/39/904871639.db2.gz JHSHFHDTUNCMQG-FGSXEWAUSA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C2)C1 ZINC001171612420 904871654 /nfs/dbraw/zinc/87/16/54/904871654.db2.gz JHSHFHDTUNCMQG-FGSXEWAUSA-N 2 1 379.589 3.828 20 0 GHADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001171676121 904918560 /nfs/dbraw/zinc/91/85/60/904918560.db2.gz WSBLGMSJVZMLFD-ICDZXHCJSA-N 2 1 399.623 3.577 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]12 ZINC001171638348 904927426 /nfs/dbraw/zinc/92/74/26/904927426.db2.gz UEZXLUPEUACHJI-RDGATRHJSA-N 2 1 397.607 3.902 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN(C4CC(C)(C)[NH+](C)C(C)(C)C4)CC[N@H+]3C2)cc1 ZINC001171638228 904927709 /nfs/dbraw/zinc/92/77/09/904927709.db2.gz XSWPKMVTWWPTLL-SIKLNZKXSA-N 2 1 385.596 3.784 20 0 GHADMP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)CC1(C)C ZINC001171638422 904928169 /nfs/dbraw/zinc/92/81/69/904928169.db2.gz WIGJTNQYVMZTKX-YSIASYRMSA-N 2 1 387.568 3.591 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)CC1(C)C ZINC001171638422 904928173 /nfs/dbraw/zinc/92/81/73/904928173.db2.gz WIGJTNQYVMZTKX-YSIASYRMSA-N 2 1 387.568 3.591 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCCN(C)[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825024 905039143 /nfs/dbraw/zinc/03/91/43/905039143.db2.gz LCHCAVMDUFBETH-OBKDMQGPSA-N 2 1 379.589 3.969 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825668 905040548 /nfs/dbraw/zinc/04/05/48/905040548.db2.gz ZBRMDEONKIRTLW-ZBHHGKBUSA-N 2 1 379.589 3.827 20 0 GHADMP Fc1cccc2c1C[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)C2 ZINC001171796661 905053984 /nfs/dbraw/zinc/05/39/84/905053984.db2.gz PUTKLEZGXROQDP-GOSISDBHSA-N 2 1 386.536 3.721 20 0 GHADMP Fc1cccc2c1C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1cccs1)CCO3)C2 ZINC001171796661 905054001 /nfs/dbraw/zinc/05/40/01/905054001.db2.gz PUTKLEZGXROQDP-GOSISDBHSA-N 2 1 386.536 3.721 20 0 GHADMP CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001171875114 905078603 /nfs/dbraw/zinc/07/86/03/905078603.db2.gz CBECIBIAOHEWLR-ZCYQVOJMSA-N 2 1 393.575 3.893 20 0 GHADMP CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001171875112 905079607 /nfs/dbraw/zinc/07/96/07/905079607.db2.gz CBECIBIAOHEWLR-NOZRDPDXSA-N 2 1 393.575 3.893 20 0 GHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171876733 905080312 /nfs/dbraw/zinc/08/03/12/905080312.db2.gz BVOQTGLRWPGVEA-QFIPXVFZSA-N 2 1 395.522 3.770 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)C2 ZINC001171834586 905085359 /nfs/dbraw/zinc/08/53/59/905085359.db2.gz ZAJWIXKFVFLMQV-AKHDSKFASA-N 2 1 377.573 3.914 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)C2 ZINC001171834586 905085377 /nfs/dbraw/zinc/08/53/77/905085377.db2.gz ZAJWIXKFVFLMQV-AKHDSKFASA-N 2 1 377.573 3.914 20 0 GHADMP c1cc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)cs1 ZINC000173958384 905171443 /nfs/dbraw/zinc/17/14/43/905171443.db2.gz ONGFYMZGOJJTRD-UHFFFAOYSA-N 2 1 377.579 3.948 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991036 905201315 /nfs/dbraw/zinc/20/13/15/905201315.db2.gz QNVIJCHIEWTUHO-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991036 905201333 /nfs/dbraw/zinc/20/13/33/905201333.db2.gz QNVIJCHIEWTUHO-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991036 905201349 /nfs/dbraw/zinc/20/13/49/905201349.db2.gz QNVIJCHIEWTUHO-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979291 905229537 /nfs/dbraw/zinc/22/95/37/905229537.db2.gz OJRCGRVHMXEYTE-SFHVURJKSA-N 2 1 397.485 3.573 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCNC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171981968 905235917 /nfs/dbraw/zinc/23/59/17/905235917.db2.gz FEQYHAINRDZTQZ-NRFANRHFSA-N 2 1 383.511 3.588 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(Oc3cnccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171983864 905238055 /nfs/dbraw/zinc/23/80/55/905238055.db2.gz APMVAXNHRLIZIH-HXUWFJFHSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCN(c3cccc(O)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171986128 905245648 /nfs/dbraw/zinc/24/56/48/905245648.db2.gz FJKBNHJYSGKXFA-QFIPXVFZSA-N 2 1 379.548 3.957 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCN(c3cccc(O)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171986128 905245661 /nfs/dbraw/zinc/24/56/61/905245661.db2.gz FJKBNHJYSGKXFA-QFIPXVFZSA-N 2 1 379.548 3.957 20 0 GHADMP O=C1NCc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cc21 ZINC001172073102 905277998 /nfs/dbraw/zinc/27/79/98/905277998.db2.gz OBTUAWRFMWEXRH-KOUNCHBCSA-N 2 1 375.516 3.605 20 0 GHADMP O=C1NCc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc21 ZINC001172073102 905278019 /nfs/dbraw/zinc/27/80/19/905278019.db2.gz OBTUAWRFMWEXRH-KOUNCHBCSA-N 2 1 375.516 3.605 20 0 GHADMP CC(C)C(=O)NC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076185 905286412 /nfs/dbraw/zinc/28/64/12/905286412.db2.gz WOENDOVLBIYZJF-NUNAXRQHSA-N 2 1 383.580 3.809 20 0 GHADMP O=C(C1CC1)N1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063049 905325215 /nfs/dbraw/zinc/32/52/15/905325215.db2.gz VVCARRPUUOIKBX-WBDAEOGXSA-N 2 1 381.564 3.563 20 0 GHADMP COC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001172064785 905328509 /nfs/dbraw/zinc/32/85/09/905328509.db2.gz FUSBCWJRXBYNAW-YCXOGWGTSA-N 2 1 394.559 3.910 20 0 GHADMP COC[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001172064785 905328528 /nfs/dbraw/zinc/32/85/28/905328528.db2.gz FUSBCWJRXBYNAW-YCXOGWGTSA-N 2 1 394.559 3.910 20 0 GHADMP CCC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132829 905345154 /nfs/dbraw/zinc/34/51/54/905345154.db2.gz OOCFQRKHYSZOGB-YSTOQKLRSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132829 905345166 /nfs/dbraw/zinc/34/51/66/905345166.db2.gz OOCFQRKHYSZOGB-YSTOQKLRSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132829 905345181 /nfs/dbraw/zinc/34/51/81/905345181.db2.gz OOCFQRKHYSZOGB-YSTOQKLRSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172132829 905345196 /nfs/dbraw/zinc/34/51/96/905345196.db2.gz OOCFQRKHYSZOGB-YSTOQKLRSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3nnc(-c4cccc(F)c4)n3c1)C2 ZINC001172110617 905361027 /nfs/dbraw/zinc/36/10/27/905361027.db2.gz KYFFDQHUEVNKMO-OWZKRDHZSA-N 2 1 379.483 3.640 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1cnc(NC(=O)OC(C)(C)C)s1)C2 ZINC001172118607 905374114 /nfs/dbraw/zinc/37/41/14/905374114.db2.gz SCOQGAPSYIGDEZ-QDMKHBRRSA-N 2 1 380.558 3.638 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121397 905379956 /nfs/dbraw/zinc/37/99/56/905379956.db2.gz PZVRVHHENUHXLW-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121397 905379970 /nfs/dbraw/zinc/37/99/70/905379970.db2.gz PZVRVHHENUHXLW-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121397 905379985 /nfs/dbraw/zinc/37/99/85/905379985.db2.gz PZVRVHHENUHXLW-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)CS2 ZINC001172197858 905430318 /nfs/dbraw/zinc/43/03/18/905430318.db2.gz QMGJQBOOAOKBSD-YPAWHYETSA-N 2 1 385.621 3.632 20 0 GHADMP COCCC[NH+]1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCOCC2)CC1 ZINC001172248213 905446131 /nfs/dbraw/zinc/44/61/31/905446131.db2.gz BAGNVFPBGXZZIS-UHFFFAOYSA-N 2 1 380.960 3.522 20 0 GHADMP COCCCN1CCC([NH2+]CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC001172250065 905447964 /nfs/dbraw/zinc/44/79/64/905447964.db2.gz NWZOAVHPTRRNNH-UHFFFAOYSA-N 2 1 394.003 3.643 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)CC1 ZINC001172255667 905450729 /nfs/dbraw/zinc/45/07/29/905450729.db2.gz ZVVGWCUTKMCZHT-HJOGWXRNSA-N 2 1 384.564 3.684 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)CC1 ZINC001172255667 905450743 /nfs/dbraw/zinc/45/07/43/905450743.db2.gz ZVVGWCUTKMCZHT-HJOGWXRNSA-N 2 1 384.564 3.684 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC(Oc3ccc(F)cc3Cl)CC2)CC1 ZINC001172255246 905451145 /nfs/dbraw/zinc/45/11/45/905451145.db2.gz LLTNZRHZWGVHCD-UHFFFAOYSA-N 2 1 384.923 3.823 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C[C@@H]1C ZINC001172374451 905487329 /nfs/dbraw/zinc/48/73/29/905487329.db2.gz QQEVRUBKTIDFBA-DPLHUUCSSA-N 2 1 397.607 3.868 20 0 GHADMP CCCCCC[C@H](CCC)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001172387297 905545482 /nfs/dbraw/zinc/54/54/82/905545482.db2.gz PUPSFZULUMURJL-NRFANRHFSA-N 2 1 395.632 3.628 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@@H](C)CCOCC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172471841 905552688 /nfs/dbraw/zinc/55/26/88/905552688.db2.gz LMPISMJEKVLHSW-NYVOZVTQSA-N 2 1 390.568 3.996 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H](C)CCOC(C)C)CC3)C2)c1 ZINC001172451943 905570816 /nfs/dbraw/zinc/57/08/16/905570816.db2.gz NXWPBDLPWSRUPS-FQEVSTJZSA-N 2 1 390.568 3.566 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@@H](C)CCOC(C)C)CC3)C2)c1 ZINC001172451943 905570828 /nfs/dbraw/zinc/57/08/28/905570828.db2.gz NXWPBDLPWSRUPS-FQEVSTJZSA-N 2 1 390.568 3.566 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172529510 905591074 /nfs/dbraw/zinc/59/10/74/905591074.db2.gz YPCKHGCXBJBFAN-VABKMULXSA-N 2 1 383.580 3.591 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172609697 905669021 /nfs/dbraw/zinc/66/90/21/905669021.db2.gz RHHSLQARGUYDHW-YOEHRIQHSA-N 2 1 384.442 3.687 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)CC1 ZINC001173110280 906196562 /nfs/dbraw/zinc/19/65/62/906196562.db2.gz JGQYBYTWXZCSBT-OAHAVBBTSA-N 2 1 376.614 3.692 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)CC1 ZINC001173111781 906198846 /nfs/dbraw/zinc/19/88/46/906198846.db2.gz LOQNLKJCIJSMFR-UHFFFAOYSA-N 2 1 399.505 3.661 20 0 GHADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001173246926 906336036 /nfs/dbraw/zinc/33/60/36/906336036.db2.gz QHHPTICNQHCODD-JFTIXFDTSA-N 2 1 395.595 3.645 20 0 GHADMP CCc1ccc(C[C@@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001173246926 906336044 /nfs/dbraw/zinc/33/60/44/906336044.db2.gz QHHPTICNQHCODD-JFTIXFDTSA-N 2 1 395.595 3.645 20 0 GHADMP CCc1ccc(C[C@@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)cc1 ZINC001173246926 906336051 /nfs/dbraw/zinc/33/60/51/906336051.db2.gz QHHPTICNQHCODD-JFTIXFDTSA-N 2 1 395.595 3.645 20 0 GHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001173261063 906342491 /nfs/dbraw/zinc/34/24/91/906342491.db2.gz OAMSSZFEROWZHQ-FQEVSTJZSA-N 2 1 391.604 3.701 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC001173605225 906557304 /nfs/dbraw/zinc/55/73/04/906557304.db2.gz AFKCPZDPSSMLQG-FHSAFXIQSA-N 2 1 384.564 3.999 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC001173605225 906557321 /nfs/dbraw/zinc/55/73/21/906557321.db2.gz AFKCPZDPSSMLQG-FHSAFXIQSA-N 2 1 384.564 3.999 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001173645396 906630178 /nfs/dbraw/zinc/63/01/78/906630178.db2.gz SYOWCNHOZXRIEV-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001173645396 906630184 /nfs/dbraw/zinc/63/01/84/906630184.db2.gz SYOWCNHOZXRIEV-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001173645396 906630188 /nfs/dbraw/zinc/63/01/88/906630188.db2.gz SYOWCNHOZXRIEV-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001173645396 906630193 /nfs/dbraw/zinc/63/01/93/906630193.db2.gz SYOWCNHOZXRIEV-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](C3CCN(C(=O)c4ccc(F)c(Cl)c4)CC3)C2)CC1 ZINC001173785716 906709772 /nfs/dbraw/zinc/70/97/72/906709772.db2.gz YNWMCNMNMRRKIE-UHFFFAOYSA-N 2 1 393.934 3.501 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([NH+]3CCC([NH3+])(c4cccnc4)CC3)CC2)cc1 ZINC001173786717 906711018 /nfs/dbraw/zinc/71/10/18/906711018.db2.gz PJFZFPYUALPCRL-UHFFFAOYSA-N 2 1 393.531 3.983 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566153 906872257 /nfs/dbraw/zinc/87/22/57/906872257.db2.gz MKGQRKVCRQUDCT-CMPLNLGQSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566153 906872269 /nfs/dbraw/zinc/87/22/69/906872269.db2.gz MKGQRKVCRQUDCT-CMPLNLGQSA-N 2 1 398.256 3.781 20 0 GHADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629655129 906931159 /nfs/dbraw/zinc/93/11/59/906931159.db2.gz SIKTUGGBPRMKER-UHFFFAOYSA-N 2 1 390.531 3.504 20 0 GHADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000181411477 906994979 /nfs/dbraw/zinc/99/49/79/906994979.db2.gz IZQRVUFMQTWDIT-PXNSSMCTSA-N 2 1 387.593 3.856 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000182264534 907173469 /nfs/dbraw/zinc/17/34/69/907173469.db2.gz LJUQEIOWUUPQSG-UNMCSNQZSA-N 2 1 378.516 3.789 20 0 GHADMP C[C@@H]1CN(CC[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001174985257 907335058 /nfs/dbraw/zinc/33/50/58/907335058.db2.gz XYRSEYVGHVVXRY-ZFGGDYGUSA-N 2 1 399.623 3.718 20 0 GHADMP C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001175052498 907356546 /nfs/dbraw/zinc/35/65/46/907356546.db2.gz GCAASHXLAOBLTB-LFTXJPJQSA-N 2 1 383.580 3.708 20 0 GHADMP C/C=C/C[C@@H]1CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001175052498 907356560 /nfs/dbraw/zinc/35/65/60/907356560.db2.gz GCAASHXLAOBLTB-LFTXJPJQSA-N 2 1 383.580 3.708 20 0 GHADMP COc1ccc([C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)cc1 ZINC001175460743 907583882 /nfs/dbraw/zinc/58/38/82/907583882.db2.gz DLEXHJNHNUHZRG-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP COc1ccc([C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)cc1 ZINC001175460743 907583898 /nfs/dbraw/zinc/58/38/98/907583898.db2.gz DLEXHJNHNUHZRG-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3CC(F)(F)F)cc2)C1 ZINC000631174091 907613324 /nfs/dbraw/zinc/61/33/24/907613324.db2.gz VQUNMIBAZLBVOW-FQEVSTJZSA-N 2 1 378.438 3.648 20 0 GHADMP C[N@H+]1CCC=C(N(c2ccccc2N)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001175579397 907644616 /nfs/dbraw/zinc/64/46/16/907644616.db2.gz VJLLWVAAYVOGSY-UHFFFAOYSA-N 2 1 376.548 3.959 20 0 GHADMP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001175689698 907694922 /nfs/dbraw/zinc/69/49/22/907694922.db2.gz VGJOYYSFCBDRQM-GOSISDBHSA-N 2 1 375.582 3.712 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OC)c1OC ZINC000631602156 907771385 /nfs/dbraw/zinc/77/13/85/907771385.db2.gz MEPFULHWWQWPHK-ZCNNSNEGSA-N 2 1 376.541 3.512 20 0 GHADMP CCOC(=O)[C@@]1(F)C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1CC ZINC001176044167 907865369 /nfs/dbraw/zinc/86/53/69/907865369.db2.gz JPJUQHUVGGRYCQ-RBBKRZOGSA-N 2 1 376.516 3.786 20 0 GHADMP CCOC(=O)[C@@]1(F)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1CC ZINC001176044167 907865378 /nfs/dbraw/zinc/86/53/78/907865378.db2.gz JPJUQHUVGGRYCQ-RBBKRZOGSA-N 2 1 376.516 3.786 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)c2)CCO1 ZINC000186370912 907915307 /nfs/dbraw/zinc/91/53/07/907915307.db2.gz ZPXVECCIDXNPBI-GOSISDBHSA-N 2 1 396.531 3.842 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)c2)CCO1 ZINC000186370912 907915316 /nfs/dbraw/zinc/91/53/16/907915316.db2.gz ZPXVECCIDXNPBI-GOSISDBHSA-N 2 1 396.531 3.842 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000191517816 908635839 /nfs/dbraw/zinc/63/58/39/908635839.db2.gz FNJRPSKUVFWTNN-OAHLLOKOSA-N 2 1 394.466 3.786 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000191517816 908635841 /nfs/dbraw/zinc/63/58/41/908635841.db2.gz FNJRPSKUVFWTNN-OAHLLOKOSA-N 2 1 394.466 3.786 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2cnccc2c1 ZINC001178971699 909339919 /nfs/dbraw/zinc/33/99/19/909339919.db2.gz LSHGKMQJBJQQDR-DNQXCXABSA-N 2 1 375.516 3.862 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2cnccc2c1 ZINC001178971699 909339934 /nfs/dbraw/zinc/33/99/34/909339934.db2.gz LSHGKMQJBJQQDR-DNQXCXABSA-N 2 1 375.516 3.862 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC001178972363 909340348 /nfs/dbraw/zinc/34/03/48/909340348.db2.gz SDLNKRSSZGVPSA-RCZVLFRGSA-N 2 1 393.575 3.896 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC001178972363 909340365 /nfs/dbraw/zinc/34/03/65/909340365.db2.gz SDLNKRSSZGVPSA-RCZVLFRGSA-N 2 1 393.575 3.896 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000268709232 909980524 /nfs/dbraw/zinc/98/05/24/909980524.db2.gz FYNAESGCKZIDBX-LJQANCHMSA-N 2 1 375.520 3.625 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000245910165 909993276 /nfs/dbraw/zinc/99/32/76/909993276.db2.gz VAKKTPHNMHLTLN-NZSAHSFTSA-N 2 1 393.597 3.996 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000245910165 909993286 /nfs/dbraw/zinc/99/32/86/909993286.db2.gz VAKKTPHNMHLTLN-NZSAHSFTSA-N 2 1 393.597 3.996 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000268753937 909998297 /nfs/dbraw/zinc/99/82/97/909998297.db2.gz WOTZPMJCNXTDET-IBGZPJMESA-N 2 1 376.504 3.555 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268821142 910033111 /nfs/dbraw/zinc/03/31/11/910033111.db2.gz LSPZSHSNDRVQPR-YKSBVNFPSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268821142 910033122 /nfs/dbraw/zinc/03/31/22/910033122.db2.gz LSPZSHSNDRVQPR-YKSBVNFPSA-N 2 1 391.559 3.934 20 0 GHADMP CCC[N@H+]([C@@H](c1nccn1C)C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638086273 910049917 /nfs/dbraw/zinc/04/99/17/910049917.db2.gz XNHXWOWEGUHOGG-OAQYLSRUSA-N 2 1 382.556 3.659 20 0 GHADMP CCC[N@@H+]([C@@H](c1nccn1C)C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638086273 910049931 /nfs/dbraw/zinc/04/99/31/910049931.db2.gz XNHXWOWEGUHOGG-OAQYLSRUSA-N 2 1 382.556 3.659 20 0 GHADMP CCNc1cc(C)ccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638287059 910104366 /nfs/dbraw/zinc/10/43/66/910104366.db2.gz RRHLNDFTPWUDSA-UHFFFAOYSA-N 2 1 380.536 3.749 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638289700 910106155 /nfs/dbraw/zinc/10/61/55/910106155.db2.gz AGYPKPMPAIAPEH-RBUKOAKNSA-N 2 1 380.374 3.658 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638364793 910133334 /nfs/dbraw/zinc/13/33/34/910133334.db2.gz QFMFWVQWGCAZMN-IRLDBZIGSA-N 2 1 383.580 3.981 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638364793 910133341 /nfs/dbraw/zinc/13/33/41/910133341.db2.gz QFMFWVQWGCAZMN-IRLDBZIGSA-N 2 1 383.580 3.981 20 0 GHADMP c1ccc([C@@H]2C[C@@H](NCC3([NH+]4CCCC4)CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638558144 910187776 /nfs/dbraw/zinc/18/77/76/910187776.db2.gz NTIQHVBAGKRBLD-GMAHTHKFSA-N 2 1 383.580 3.589 20 0 GHADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000639148394 910331190 /nfs/dbraw/zinc/33/11/90/910331190.db2.gz DUINBHPCWZKSBJ-UHFFFAOYSA-N 2 1 379.957 3.788 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001274486439 910336053 /nfs/dbraw/zinc/33/60/53/910336053.db2.gz RACACGXDZJYSEV-UFYCRDLUSA-N 2 1 375.944 3.562 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001274486439 910336068 /nfs/dbraw/zinc/33/60/68/910336068.db2.gz RACACGXDZJYSEV-UFYCRDLUSA-N 2 1 375.944 3.562 20 0 GHADMP C[N@@H+]1CCC[C@@](C)(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001180821357 910362931 /nfs/dbraw/zinc/36/29/31/910362931.db2.gz ZQSAPWPIRWXOAK-HXUWFJFHSA-N 2 1 398.378 3.806 20 0 GHADMP C[N@H+]1CCC[C@@](C)(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001180821357 910362947 /nfs/dbraw/zinc/36/29/47/910362947.db2.gz ZQSAPWPIRWXOAK-HXUWFJFHSA-N 2 1 398.378 3.806 20 0 GHADMP Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000271341056 910867030 /nfs/dbraw/zinc/86/70/30/910867030.db2.gz CDVIHPZMEVSWSA-IBGZPJMESA-N 2 1 383.536 3.730 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC001182244999 911327552 /nfs/dbraw/zinc/32/75/52/911327552.db2.gz NOJVTAQIRGAXHU-QHCPKHFHSA-N 2 1 391.490 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC001182244999 911327570 /nfs/dbraw/zinc/32/75/70/911327570.db2.gz NOJVTAQIRGAXHU-QHCPKHFHSA-N 2 1 391.490 3.991 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC001182247800 911341820 /nfs/dbraw/zinc/34/18/20/911341820.db2.gz ZYLRVPBKIHOINF-XQUALCHDSA-N 2 1 391.559 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC001182247800 911341834 /nfs/dbraw/zinc/34/18/34/911341834.db2.gz ZYLRVPBKIHOINF-XQUALCHDSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001182247800 911341847 /nfs/dbraw/zinc/34/18/47/911341847.db2.gz ZYLRVPBKIHOINF-XQUALCHDSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001182247800 911341864 /nfs/dbraw/zinc/34/18/64/911341864.db2.gz ZYLRVPBKIHOINF-XQUALCHDSA-N 2 1 391.559 3.991 20 0 GHADMP C[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283185730 911403773 /nfs/dbraw/zinc/40/37/73/911403773.db2.gz QIVYJDDQNPOPFZ-XZOQPEGZSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283185730 911403782 /nfs/dbraw/zinc/40/37/82/911403782.db2.gz QIVYJDDQNPOPFZ-XZOQPEGZSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283185730 911403793 /nfs/dbraw/zinc/40/37/93/911403793.db2.gz QIVYJDDQNPOPFZ-XZOQPEGZSA-N 2 1 391.559 3.603 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)c2c1C ZINC000466803745 911880493 /nfs/dbraw/zinc/88/04/93/911880493.db2.gz SOSHRVWMTBOZAB-SUMWQHHRSA-N 2 1 385.581 3.799 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)c2c1C ZINC000466803745 911880528 /nfs/dbraw/zinc/88/05/28/911880528.db2.gz SOSHRVWMTBOZAB-SUMWQHHRSA-N 2 1 385.581 3.799 20 0 GHADMP C[C@H](C[NH+](C)C)NC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001186950713 914916451 /nfs/dbraw/zinc/91/64/51/914916451.db2.gz MHNXMSAYPLCNGA-KNKQGSTJSA-N 2 1 379.548 3.553 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc4n(n3)CCCC4)CC2)cs1 ZINC000647288855 915139044 /nfs/dbraw/zinc/13/90/44/915139044.db2.gz RLJGRWDVHWLFMS-MRXNPFEDSA-N 2 1 387.597 3.801 20 0 GHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CC3 ZINC000647343706 915164292 /nfs/dbraw/zinc/16/42/92/915164292.db2.gz AMLDFKBPBGQPJX-PWHSHALESA-N 2 1 389.543 3.969 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975474 915457800 /nfs/dbraw/zinc/45/78/00/915457800.db2.gz ATMYUVUOHWZEKP-BZUAXINKSA-N 2 1 383.458 3.744 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647977168 915459826 /nfs/dbraw/zinc/45/98/26/915459826.db2.gz YVCJAUPVYFXTGY-OKZBNKHCSA-N 2 1 377.960 3.995 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000648011453 915479322 /nfs/dbraw/zinc/47/93/22/915479322.db2.gz RMPVHRXTAAGEJS-UHFFFAOYSA-N 2 1 388.556 3.559 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)c2cccs2)CC1 ZINC000648401704 915681747 /nfs/dbraw/zinc/68/17/47/915681747.db2.gz DQKVYGKBZGFMGM-KRWDZBQOSA-N 2 1 390.940 3.621 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000648736328 915847416 /nfs/dbraw/zinc/84/74/16/915847416.db2.gz QOERLBFLSFCXSI-OALUTQOASA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000648736328 915847425 /nfs/dbraw/zinc/84/74/25/915847425.db2.gz QOERLBFLSFCXSI-OALUTQOASA-N 2 1 382.552 3.945 20 0 GHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292853864 915875498 /nfs/dbraw/zinc/87/54/98/915875498.db2.gz UKESZTYFMQMCNC-DEOSSOPVSA-N 2 1 387.531 3.521 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292853864 915875503 /nfs/dbraw/zinc/87/55/03/915875503.db2.gz UKESZTYFMQMCNC-DEOSSOPVSA-N 2 1 387.531 3.521 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292853864 915875523 /nfs/dbraw/zinc/87/55/23/915875523.db2.gz UKESZTYFMQMCNC-DEOSSOPVSA-N 2 1 387.531 3.521 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292853864 915875541 /nfs/dbraw/zinc/87/55/41/915875541.db2.gz UKESZTYFMQMCNC-DEOSSOPVSA-N 2 1 387.531 3.521 20 0 GHADMP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(Cl)c1 ZINC000649312913 916098403 /nfs/dbraw/zinc/09/84/03/916098403.db2.gz JDYDADSZKWTQNR-SFHVURJKSA-N 2 1 375.925 3.527 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649378592 916128702 /nfs/dbraw/zinc/12/87/02/916128702.db2.gz LQFXEQQVNSVYJV-UZLBHIALSA-N 2 1 377.960 3.843 20 0 GHADMP Cn1cc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)cs2)cn1 ZINC000649417140 916147983 /nfs/dbraw/zinc/14/79/83/916147983.db2.gz YXQSETXTIKGWCZ-NQIIRXRSSA-N 2 1 395.576 3.716 20 0 GHADMP Cn1cc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)cs2)cn1 ZINC000649417140 916147988 /nfs/dbraw/zinc/14/79/88/916147988.db2.gz YXQSETXTIKGWCZ-NQIIRXRSSA-N 2 1 395.576 3.716 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293563419 916269691 /nfs/dbraw/zinc/26/96/91/916269691.db2.gz CZENVAZWUDBXEB-OTWHNJEPSA-N 2 1 389.540 3.573 20 0 GHADMP CCO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OCC)[C@H](C)C3)c2)C[C@H]1C ZINC000649992118 916603912 /nfs/dbraw/zinc/60/39/12/916603912.db2.gz HHNICJMLEICWRY-NNLJWKLDSA-N 2 1 389.584 3.575 20 0 GHADMP CCO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OCC)[C@H](C)C3)c2)C[C@H]1C ZINC000649992118 916603919 /nfs/dbraw/zinc/60/39/19/916603919.db2.gz HHNICJMLEICWRY-NNLJWKLDSA-N 2 1 389.584 3.575 20 0 GHADMP CCO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OCC)[C@H](C)C3)c2)C[C@H]1C ZINC000649992118 916603928 /nfs/dbraw/zinc/60/39/28/916603928.db2.gz HHNICJMLEICWRY-NNLJWKLDSA-N 2 1 389.584 3.575 20 0 GHADMP CC[N@H+](CCCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)C1CCCCC1 ZINC000650375117 916929914 /nfs/dbraw/zinc/92/99/14/916929914.db2.gz ZCACOGCZQREJNL-UHFFFAOYSA-N 2 1 386.584 3.767 20 0 GHADMP CC[N@@H+](CCCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)C1CCCCC1 ZINC000650375117 916929923 /nfs/dbraw/zinc/92/99/23/916929923.db2.gz ZCACOGCZQREJNL-UHFFFAOYSA-N 2 1 386.584 3.767 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650414872 916961644 /nfs/dbraw/zinc/96/16/44/916961644.db2.gz CZYUJUKOCMFIJB-UHFFFAOYSA-N 2 1 387.553 3.591 20 0 GHADMP COc1cc(C[NH+](C)Cc2ccccn2)cc(C[N@H+](C)Cc2ccccn2)c1 ZINC000295155258 917177931 /nfs/dbraw/zinc/17/79/31/917177931.db2.gz MLUKNYJBDWPHEB-UHFFFAOYSA-N 2 1 376.504 3.749 20 0 GHADMP COc1cc(C[NH+](C)Cc2ccccn2)cc(C[N@@H+](C)Cc2ccccn2)c1 ZINC000295155258 917177941 /nfs/dbraw/zinc/17/79/41/917177941.db2.gz MLUKNYJBDWPHEB-UHFFFAOYSA-N 2 1 376.504 3.749 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796468295 917585777 /nfs/dbraw/zinc/58/57/77/917585777.db2.gz SJEPWPDPTNBYAL-NRFANRHFSA-N 2 1 384.524 3.610 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796468295 917585796 /nfs/dbraw/zinc/58/57/96/917585796.db2.gz SJEPWPDPTNBYAL-NRFANRHFSA-N 2 1 384.524 3.610 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccccn2)cc1 ZINC000652141749 917813700 /nfs/dbraw/zinc/81/37/00/917813700.db2.gz YVKAQQBFPLLOPD-DEOSSOPVSA-N 2 1 391.515 3.910 20 0 GHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345714 917877946 /nfs/dbraw/zinc/87/79/46/917877946.db2.gz KBYSLPDONKHHAB-CTAFRAEOSA-N 2 1 387.568 3.664 20 0 GHADMP CC(C)(C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(N)=O ZINC000296600785 918447729 /nfs/dbraw/zinc/44/77/29/918447729.db2.gz VOSUNDDGPJJQFB-YUMYIRISSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(N)=O ZINC000296600785 918447740 /nfs/dbraw/zinc/44/77/40/918447740.db2.gz VOSUNDDGPJJQFB-YUMYIRISSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(N)=O ZINC000296600785 918447746 /nfs/dbraw/zinc/44/77/46/918447746.db2.gz VOSUNDDGPJJQFB-YUMYIRISSA-N 2 1 383.580 3.796 20 0 GHADMP Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364180320 919210732 /nfs/dbraw/zinc/21/07/32/919210732.db2.gz MYUWNGGCDAFRFZ-BJKOFHAPSA-N 2 1 397.607 3.753 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2nc(Cl)ccc21 ZINC000297926504 919968783 /nfs/dbraw/zinc/96/87/83/919968783.db2.gz XKHBCARQTLTPFG-IHPCNDPISA-N 2 1 385.939 3.585 20 0 GHADMP CCC[C@@H]([NH2+]C1CCN(C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000298556420 920662767 /nfs/dbraw/zinc/66/27/67/920662767.db2.gz VJYUOWKLZQDKKU-JOCHJYFZSA-N 2 1 384.568 3.610 20 0 GHADMP CC(C)(C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001149057066 920792794 /nfs/dbraw/zinc/79/27/94/920792794.db2.gz LPXRZQIZEKTGHE-OAQYLSRUSA-N 2 1 383.580 3.669 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC34CCOCC4)CC2)cs1 ZINC000367093328 921917292 /nfs/dbraw/zinc/91/72/92/921917292.db2.gz KAGXRSGWYVSWNB-LJQANCHMSA-N 2 1 377.598 3.856 20 0 GHADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc(OC)c1OCC(F)F ZINC000367355616 922058194 /nfs/dbraw/zinc/05/81/94/922058194.db2.gz DPEFNBZDLIIHOH-UHFFFAOYSA-N 2 1 398.494 3.656 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517916 922252478 /nfs/dbraw/zinc/25/24/78/922252478.db2.gz ORVWLKJEGRLQDQ-HLRQEUIKSA-N 3 1 378.564 3.800 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CN2Cc3cc(C(F)(F)F)ccc3C2=O)CC1 ZINC000802737176 922369905 /nfs/dbraw/zinc/36/99/05/922369905.db2.gz ARXJCSGJWAVZQO-UHFFFAOYSA-N 2 1 383.458 3.673 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(-n4ccnc4)c3)CC2)nc(C)[nH+]1 ZINC000902832844 922541142 /nfs/dbraw/zinc/54/11/42/922541142.db2.gz QTEZUFZTTPDHFH-QGZVFWFLSA-N 2 1 376.508 3.599 20 0 GHADMP CCn1nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c2ccccc21 ZINC000368367024 922625778 /nfs/dbraw/zinc/62/57/78/922625778.db2.gz KWTJWSGBYDIQCE-UHFFFAOYSA-N 2 1 397.611 3.684 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(-n2ccnc2)c1 ZINC000902948103 922629889 /nfs/dbraw/zinc/62/98/89/922629889.db2.gz PLLUZGWENZYNIC-NTKDMRAZSA-N 2 1 390.531 3.680 20 0 GHADMP CC(=O)OCc1cccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000903092066 922766415 /nfs/dbraw/zinc/76/64/15/922766415.db2.gz GSYKWSLLEOMEDI-KRWDZBQOSA-N 2 1 399.535 3.917 20 0 GHADMP Fc1ccccc1[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000903097167 922769083 /nfs/dbraw/zinc/76/90/83/922769083.db2.gz PTESDQIPRILFPT-DENIHFKCSA-N 2 1 376.516 3.526 20 0 GHADMP Fc1ccccc1[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000903097169 922769244 /nfs/dbraw/zinc/76/92/44/922769244.db2.gz PTESDQIPRILFPT-SIKLNZKXSA-N 2 1 376.516 3.526 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C[C@@H]2C1 ZINC000903184181 922838978 /nfs/dbraw/zinc/83/89/78/922838978.db2.gz AZSURXSBDHDXST-LFBIWGBLSA-N 2 1 389.584 3.769 20 0 GHADMP O[C@H]1C[C@](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)(c2ccccc2)C1 ZINC000903271252 922897798 /nfs/dbraw/zinc/89/77/98/922897798.db2.gz KZYWZLDODFVTFX-HJOGWXRNSA-N 2 1 376.544 3.866 20 0 GHADMP O[C@H]1C[C@](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)(c2ccccc2)C1 ZINC000903271252 922897803 /nfs/dbraw/zinc/89/78/03/922897803.db2.gz KZYWZLDODFVTFX-HJOGWXRNSA-N 2 1 376.544 3.866 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000369137983 923140906 /nfs/dbraw/zinc/14/09/06/923140906.db2.gz DNVHUZUEKSLQPG-JYUKWDKTSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790489 923296902 /nfs/dbraw/zinc/29/69/02/923296902.db2.gz KUQJPWSIIVBEMV-SFHVURJKSA-N 2 1 397.567 3.513 20 0 GHADMP COc1cccc(C[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000677128923 924251156 /nfs/dbraw/zinc/25/11/56/924251156.db2.gz BYORXNKYYVYWEC-FCHUYYIVSA-N 2 1 399.604 3.656 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000677128978 924251933 /nfs/dbraw/zinc/25/19/33/924251933.db2.gz HWFIAOYOZHPNKU-DENIHFKCSA-N 2 1 391.559 3.969 20 0 GHADMP C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000678261115 924694010 /nfs/dbraw/zinc/69/40/10/924694010.db2.gz VKRDDESBOXUNQI-OAQYLSRUSA-N 2 1 377.532 3.533 20 0 GHADMP C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000678261115 924694017 /nfs/dbraw/zinc/69/40/17/924694017.db2.gz VKRDDESBOXUNQI-OAQYLSRUSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000678261115 924694035 /nfs/dbraw/zinc/69/40/35/924694035.db2.gz VKRDDESBOXUNQI-OAQYLSRUSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000678261115 924694052 /nfs/dbraw/zinc/69/40/52/924694052.db2.gz VKRDDESBOXUNQI-OAQYLSRUSA-N 2 1 377.532 3.533 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678295031 924712032 /nfs/dbraw/zinc/71/20/32/924712032.db2.gz KGEXJWJKLKHANQ-SFHVURJKSA-N 2 1 393.597 3.535 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927464 924975194 /nfs/dbraw/zinc/97/51/94/924975194.db2.gz JRQFYWSKUVLRBI-NFBKMPQASA-N 2 1 395.522 3.690 20 0 GHADMP CC(C)N1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116194 925033391 /nfs/dbraw/zinc/03/33/91/925033391.db2.gz OSMYABDEUYIFHY-FHWLQOOXSA-N 2 1 381.923 3.603 20 0 GHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000679817374 925272788 /nfs/dbraw/zinc/27/27/88/925272788.db2.gz PMWVWJMJTLKAOS-UHFFFAOYSA-N 2 1 396.373 3.811 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679994054 925326670 /nfs/dbraw/zinc/32/66/70/925326670.db2.gz FRMLEOZOZGJBKJ-XAMZUMDUSA-N 2 1 381.923 3.602 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679994054 925326674 /nfs/dbraw/zinc/32/66/74/925326674.db2.gz FRMLEOZOZGJBKJ-XAMZUMDUSA-N 2 1 381.923 3.602 20 0 GHADMP O=c1[nH]c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2[nH]1 ZINC000680335705 925447590 /nfs/dbraw/zinc/44/75/90/925447590.db2.gz VGIXENCFXSBVAI-HSALFYBXSA-N 2 1 376.504 3.659 20 0 GHADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000680628488 925546129 /nfs/dbraw/zinc/54/61/29/925546129.db2.gz PYCAHNJKYSIAHH-FQEVSTJZSA-N 2 1 383.536 3.858 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000373141208 925884327 /nfs/dbraw/zinc/88/43/27/925884327.db2.gz UMFLXHPJGPMPAL-WIYYLYMNSA-N 2 1 376.504 3.779 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682908598 926294187 /nfs/dbraw/zinc/29/41/87/926294187.db2.gz VAKAXWTURKGJFH-BEFAXECRSA-N 2 1 381.358 3.613 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H](c2ncc[nH]2)C1)CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000411395194 926352045 /nfs/dbraw/zinc/35/20/45/926352045.db2.gz VHFBVCKZSSMKHE-OWZKRDHZSA-N 2 1 384.572 3.608 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H](c2ncc[nH]2)C1)CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000411395194 926352052 /nfs/dbraw/zinc/35/20/52/926352052.db2.gz VHFBVCKZSSMKHE-OWZKRDHZSA-N 2 1 384.572 3.608 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H](c2ncc[nH]2)C1)CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000411395194 926352058 /nfs/dbraw/zinc/35/20/58/926352058.db2.gz VHFBVCKZSSMKHE-OWZKRDHZSA-N 2 1 384.572 3.608 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389737721 926387027 /nfs/dbraw/zinc/38/70/27/926387027.db2.gz BKROTHCTYYXENF-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](C)NC(=O)OC(C)(C)C ZINC000397997098 926485743 /nfs/dbraw/zinc/48/57/43/926485743.db2.gz CGLTYYRFLWJDJC-XSYGEPLQSA-N 2 1 375.557 3.788 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](C)NC(=O)OC(C)(C)C ZINC000397997098 926485749 /nfs/dbraw/zinc/48/57/49/926485749.db2.gz CGLTYYRFLWJDJC-XSYGEPLQSA-N 2 1 375.557 3.788 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000411688038 926654805 /nfs/dbraw/zinc/65/48/05/926654805.db2.gz HPWOKYNWABCXQC-JOCHJYFZSA-N 2 1 395.547 3.914 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000411688038 926654808 /nfs/dbraw/zinc/65/48/08/926654808.db2.gz HPWOKYNWABCXQC-JOCHJYFZSA-N 2 1 395.547 3.914 20 0 GHADMP CC(CCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C)CC[N@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000411726716 926689674 /nfs/dbraw/zinc/68/96/74/926689674.db2.gz HWGXXYVGFZIKTG-ZJZGAYNASA-N 2 1 390.660 3.520 20 0 GHADMP CC(CC[NH+]1CC[C@H](N2CCCC2)[C@@H]1C)CC[N@@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000411726716 926689699 /nfs/dbraw/zinc/68/96/99/926689699.db2.gz HWGXXYVGFZIKTG-ZJZGAYNASA-N 2 1 390.660 3.520 20 0 GHADMP CC(CC[NH+]1CC[C@H](N2CCCC2)[C@@H]1C)CC[N@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000411726716 926689704 /nfs/dbraw/zinc/68/97/04/926689704.db2.gz HWGXXYVGFZIKTG-ZJZGAYNASA-N 2 1 390.660 3.520 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000374868651 927628201 /nfs/dbraw/zinc/62/82/01/927628201.db2.gz MQLFEJIXCXYAJG-QUCCMNQESA-N 2 1 388.515 3.994 20 0 GHADMP C[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000751085548 928020882 /nfs/dbraw/zinc/02/08/82/928020882.db2.gz WIWFCZSRCRPPJN-YUVSOPLDSA-N 2 1 398.595 3.530 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(C(C)(C)C)nc3)CC2)cs1 ZINC000375322668 928166422 /nfs/dbraw/zinc/16/64/22/928166422.db2.gz UHJNFGRXBZZWRX-UHFFFAOYSA-N 2 1 387.597 3.795 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC(c4cccc(F)c4)C3)c2)C1 ZINC000544035844 928716018 /nfs/dbraw/zinc/71/60/18/928716018.db2.gz ZSYJTQXZMDQEMK-HVIUMASTSA-N 2 1 395.522 3.559 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000753585447 929429880 /nfs/dbraw/zinc/42/98/80/929429880.db2.gz GZVANCSYZQKEGF-CYFREDJKSA-N 2 1 393.575 3.748 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000753585447 929429886 /nfs/dbraw/zinc/42/98/86/929429886.db2.gz GZVANCSYZQKEGF-CYFREDJKSA-N 2 1 393.575 3.748 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000753585447 929429900 /nfs/dbraw/zinc/42/99/00/929429900.db2.gz GZVANCSYZQKEGF-CYFREDJKSA-N 2 1 393.575 3.748 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CC4CCC5(CC4)OCCO5)CC[C@H]32)cc1 ZINC000753737030 929508357 /nfs/dbraw/zinc/50/83/57/929508357.db2.gz BFFGZPLWDOXSDN-XZOQPEGZSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@H]32)cc1 ZINC000753737030 929508361 /nfs/dbraw/zinc/50/83/61/929508361.db2.gz BFFGZPLWDOXSDN-XZOQPEGZSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@H]32)cc1 ZINC000753737030 929508370 /nfs/dbraw/zinc/50/83/70/929508370.db2.gz BFFGZPLWDOXSDN-XZOQPEGZSA-N 2 1 384.564 3.906 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000546015947 929774574 /nfs/dbraw/zinc/77/45/74/929774574.db2.gz HJTFTTZXZCUFDB-GZOXUSKESA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546015947 929774578 /nfs/dbraw/zinc/77/45/78/929774578.db2.gz HJTFTTZXZCUFDB-GZOXUSKESA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546015947 929774581 /nfs/dbraw/zinc/77/45/81/929774581.db2.gz HJTFTTZXZCUFDB-GZOXUSKESA-N 2 1 385.596 3.914 20 0 GHADMP CC[NH+](CC)CCSCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469835356 930192634 /nfs/dbraw/zinc/19/26/34/930192634.db2.gz FDZQNFGXGQOTFF-CTNGQTDRSA-N 2 1 391.625 3.573 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2Br)s1 ZINC000546574203 930272639 /nfs/dbraw/zinc/27/26/39/930272639.db2.gz GKPOYIBAJLJBSC-FZKQIMNGSA-N 2 1 395.366 3.895 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOc3cccc(Cl)c3)CC2)CC1 ZINC000470218486 930460728 /nfs/dbraw/zinc/46/07/28/930460728.db2.gz FIHDYIKCNRWCIL-UHFFFAOYSA-N 2 1 394.003 3.847 20 0 GHADMP C[N@H+](CCOc1cccc(Cl)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000470218486 930460738 /nfs/dbraw/zinc/46/07/38/930460738.db2.gz FIHDYIKCNRWCIL-UHFFFAOYSA-N 3 1 394.003 3.847 20 0 GHADMP C[N@@H+](CCOc1cccc(Cl)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000470218486 930460746 /nfs/dbraw/zinc/46/07/46/930460746.db2.gz FIHDYIKCNRWCIL-UHFFFAOYSA-N 3 1 394.003 3.847 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000470751601 930883011 /nfs/dbraw/zinc/88/30/11/930883011.db2.gz NPAPETOIGSNQET-OAQYLSRUSA-N 2 1 390.616 3.549 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000781883803 931010439 /nfs/dbraw/zinc/01/04/39/931010439.db2.gz QHFKFVVNMQYOGQ-UXHICEINSA-N 2 1 379.589 3.974 20 0 GHADMP Cc1ccc(-c2noc(CCC[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)n2)cc1F ZINC000470973153 931067452 /nfs/dbraw/zinc/06/74/52/931067452.db2.gz CKIKQIFEZIYNBE-SFHVURJKSA-N 2 1 386.515 3.780 20 0 GHADMP Cc1ccc(-c2noc(CCC[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)n2)cc1F ZINC000470973153 931067458 /nfs/dbraw/zinc/06/74/58/931067458.db2.gz CKIKQIFEZIYNBE-SFHVURJKSA-N 2 1 386.515 3.780 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)n2)cc1F ZINC000470973153 931067467 /nfs/dbraw/zinc/06/74/67/931067467.db2.gz CKIKQIFEZIYNBE-SFHVURJKSA-N 2 1 386.515 3.780 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)n2)cc1F ZINC000470973153 931067485 /nfs/dbraw/zinc/06/74/85/931067485.db2.gz CKIKQIFEZIYNBE-SFHVURJKSA-N 2 1 386.515 3.780 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OCCO ZINC000547505566 931079599 /nfs/dbraw/zinc/07/95/99/931079599.db2.gz ZLHTXPQRBZNKRT-JQVVWYNYSA-N 2 1 398.547 3.628 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000777527569 931386191 /nfs/dbraw/zinc/38/61/91/931386191.db2.gz AJZLILBVKNLQNX-DEOSSOPVSA-N 2 1 379.548 3.718 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000777527569 931386201 /nfs/dbraw/zinc/38/62/01/931386201.db2.gz AJZLILBVKNLQNX-DEOSSOPVSA-N 2 1 379.548 3.718 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)CC2)CC1 ZINC000557475320 931457733 /nfs/dbraw/zinc/45/77/33/931457733.db2.gz FHDZDIDAMILOTN-HSZRJFAPSA-N 2 1 399.579 3.555 20 0 GHADMP COCCSc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000924938618 931590806 /nfs/dbraw/zinc/59/08/06/931590806.db2.gz MXYYRYZEYOJQLG-OHSMVPPVSA-N 2 1 378.582 3.718 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000558226387 931892930 /nfs/dbraw/zinc/89/29/30/931892930.db2.gz OSOBUAISNOZODI-IBGZPJMESA-N 2 1 375.520 3.891 20 0 GHADMP CC(C)Sc1ccccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926065807 932025511 /nfs/dbraw/zinc/02/55/11/932025511.db2.gz BBFKHABOKLTDSC-HDICACEKSA-N 2 1 388.581 3.620 20 0 GHADMP CC(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000558975178 932348681 /nfs/dbraw/zinc/34/86/81/932348681.db2.gz KVXCUKFCKNTFTJ-DRLVYXDUSA-N 2 1 389.971 3.854 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000559049140 932396855 /nfs/dbraw/zinc/39/68/55/932396855.db2.gz DBEUWKOJEFVDQQ-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184578 932555602 /nfs/dbraw/zinc/55/56/02/932555602.db2.gz YCOXPODXOGTWIC-SJORKVTESA-N 2 1 377.598 3.815 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184578 932555608 /nfs/dbraw/zinc/55/56/08/932555608.db2.gz YCOXPODXOGTWIC-SJORKVTESA-N 2 1 377.598 3.815 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798480536 932664010 /nfs/dbraw/zinc/66/40/10/932664010.db2.gz WBXKOWKPONEMRQ-QHCPKHFHSA-N 2 1 380.536 3.782 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000798525736 932690180 /nfs/dbraw/zinc/69/01/80/932690180.db2.gz CPSCLZOIKZRBIY-FYYLOGMGSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000798525736 932690182 /nfs/dbraw/zinc/69/01/82/932690182.db2.gz CPSCLZOIKZRBIY-FYYLOGMGSA-N 2 1 399.966 3.971 20 0 GHADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000559543423 932725183 /nfs/dbraw/zinc/72/51/83/932725183.db2.gz HLIFYUDFWLJJDQ-UHFFFAOYSA-N 2 1 396.494 3.882 20 0 GHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798934497 932822304 /nfs/dbraw/zinc/82/23/04/932822304.db2.gz HCOZRMJTRTXRHK-NTKDMRAZSA-N 2 1 396.531 3.801 20 0 GHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934497 932822312 /nfs/dbraw/zinc/82/23/12/932822312.db2.gz HCOZRMJTRTXRHK-NTKDMRAZSA-N 2 1 396.531 3.801 20 0 GHADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1OCC(F)(F)F ZINC000798956809 932839690 /nfs/dbraw/zinc/83/96/90/932839690.db2.gz ASYRTDJLEKNLSK-UHFFFAOYSA-N 2 1 386.458 3.944 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179751 932900178 /nfs/dbraw/zinc/90/01/78/932900178.db2.gz SQQSROLKFVXYNF-OAHLLOKOSA-N 2 1 383.458 3.840 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178456 932900549 /nfs/dbraw/zinc/90/05/49/932900549.db2.gz VMYJZHKLZCRNAT-HNNXBMFYSA-N 2 1 399.457 3.720 20 0 GHADMP CC[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC000560745077 933521232 /nfs/dbraw/zinc/52/12/32/933521232.db2.gz YQPLYEPEYDDWNU-HZPDHXFCSA-N 2 1 393.881 3.722 20 0 GHADMP CC[NH+](CC)CCSCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000561111032 933876217 /nfs/dbraw/zinc/87/62/17/933876217.db2.gz CMZIPQZEZYFEIU-UHFFFAOYSA-N 2 1 398.576 3.658 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001117714680 933993538 /nfs/dbraw/zinc/99/35/38/933993538.db2.gz JNOQBJYWWOXIOL-JDMFINLCSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117714680 933993546 /nfs/dbraw/zinc/99/35/46/933993546.db2.gz JNOQBJYWWOXIOL-JDMFINLCSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117714680 933993548 /nfs/dbraw/zinc/99/35/48/933993548.db2.gz JNOQBJYWWOXIOL-JDMFINLCSA-N 2 1 398.595 3.554 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000561470178 934192963 /nfs/dbraw/zinc/19/29/63/934192963.db2.gz AHDLOVLSFKXSGY-OAQYLSRUSA-N 2 1 384.568 3.520 20 0 GHADMP Cc1ccc(-c2nn(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c(=S)n2C)cc1 ZINC001120255394 934450076 /nfs/dbraw/zinc/45/00/76/934450076.db2.gz GVNCJTLKJDNKDO-GBESFXJTSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1ccc(-c2nn(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c(=S)n2C)cc1 ZINC001120255394 934450083 /nfs/dbraw/zinc/45/00/83/934450083.db2.gz GVNCJTLKJDNKDO-GBESFXJTSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000562082634 934680515 /nfs/dbraw/zinc/68/05/15/934680515.db2.gz RPCCZJSTTUUUOF-HSZRJFAPSA-N 2 1 389.547 3.968 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000562242199 934781349 /nfs/dbraw/zinc/78/13/49/934781349.db2.gz MIBLVZQNJKAEAP-FGZHOGPDSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000562242199 934781355 /nfs/dbraw/zinc/78/13/55/934781355.db2.gz MIBLVZQNJKAEAP-FGZHOGPDSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000562242199 934781357 /nfs/dbraw/zinc/78/13/57/934781357.db2.gz MIBLVZQNJKAEAP-FGZHOGPDSA-N 2 1 398.595 3.605 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC001122383851 934859776 /nfs/dbraw/zinc/85/97/76/934859776.db2.gz YJSKCAJOWXSAMW-UHFFFAOYSA-N 2 1 377.532 3.581 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@H]1c1ccnn1C)CC[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932262305 934862895 /nfs/dbraw/zinc/86/28/95/934862895.db2.gz UGRIYENTZSLUPL-FJPGZJACSA-N 2 1 384.572 3.544 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1c1ccnn1C)CC[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932262305 934862898 /nfs/dbraw/zinc/86/28/98/934862898.db2.gz UGRIYENTZSLUPL-FJPGZJACSA-N 2 1 384.572 3.544 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1c1ccnn1C)CC[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932262305 934862901 /nfs/dbraw/zinc/86/29/01/934862901.db2.gz UGRIYENTZSLUPL-FJPGZJACSA-N 2 1 384.572 3.544 20 0 GHADMP C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001625797060 1014176313 /nfs/dbraw/zinc/17/63/13/1014176313.db2.gz VZITULILXDUZDC-BHIFYINESA-N 2 1 399.623 3.814 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1OC ZINC000532220838 1014561402 /nfs/dbraw/zinc/56/14/02/1014561402.db2.gz NJAAEVNSUIMICZ-WIYYLYMNSA-N 2 1 398.547 3.755 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1OC ZINC000532220838 1014561414 /nfs/dbraw/zinc/56/14/14/1014561414.db2.gz NJAAEVNSUIMICZ-WIYYLYMNSA-N 2 1 398.547 3.755 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468019272 1015151228 /nfs/dbraw/zinc/15/12/28/1015151228.db2.gz GDLWIJBTCZNMOD-RZUBCFFCSA-N 2 1 388.600 3.735 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCCC[NH+]1CCCCC1 ZINC000468147351 1015332462 /nfs/dbraw/zinc/33/24/62/1015332462.db2.gz XNRGAAVLCBABTO-UHFFFAOYSA-N 2 1 379.548 3.681 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)c1cccc(C(F)(F)F)c1 ZINC000468303017 1015565013 /nfs/dbraw/zinc/56/50/13/1015565013.db2.gz NWSNNAKCBUEMRD-MSOLQXFVSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC)c1cccc(C(F)(F)F)c1 ZINC000468303017 1015565029 /nfs/dbraw/zinc/56/50/29/1015565029.db2.gz NWSNNAKCBUEMRD-MSOLQXFVSA-N 2 1 385.474 3.689 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468402347 1015670889 /nfs/dbraw/zinc/67/08/89/1015670889.db2.gz PDNQFZZLASYFFZ-NRFANRHFSA-N 2 1 384.568 3.721 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468402347 1015670895 /nfs/dbraw/zinc/67/08/95/1015670895.db2.gz PDNQFZZLASYFFZ-NRFANRHFSA-N 2 1 384.568 3.721 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468402347 1015670899 /nfs/dbraw/zinc/67/08/99/1015670899.db2.gz PDNQFZZLASYFFZ-NRFANRHFSA-N 2 1 384.568 3.721 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468402347 1015670902 /nfs/dbraw/zinc/67/09/02/1015670902.db2.gz PDNQFZZLASYFFZ-NRFANRHFSA-N 2 1 384.568 3.721 20 0 GHADMP Cc1cccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000468430371 1015700471 /nfs/dbraw/zinc/70/04/71/1015700471.db2.gz TWNZTIOJZUMHRE-YKSBVNFPSA-N 2 1 393.575 3.803 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000545473500 1015913179 /nfs/dbraw/zinc/91/31/79/1015913179.db2.gz MICQQFUDTAQABN-NQSCKRDGSA-N 2 1 399.966 3.627 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468838245 1016090986 /nfs/dbraw/zinc/09/09/86/1016090986.db2.gz DKPXZWZEXKCIMC-SKWRMQMOSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000468838245 1016090992 /nfs/dbraw/zinc/09/09/92/1016090992.db2.gz DKPXZWZEXKCIMC-SKWRMQMOSA-N 2 1 383.580 3.905 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)Cc1ccccc1 ZINC001220861605 1032157728 /nfs/dbraw/zinc/15/77/28/1032157728.db2.gz ZJTPHWOAZUVANP-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC001220861605 1032157733 /nfs/dbraw/zinc/15/77/33/1032157733.db2.gz ZJTPHWOAZUVANP-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC001220861605 1032157739 /nfs/dbraw/zinc/15/77/39/1032157739.db2.gz ZJTPHWOAZUVANP-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC001220883001 1032173176 /nfs/dbraw/zinc/17/31/76/1032173176.db2.gz FQTDQGGGLXFDFF-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC001220883001 1032173191 /nfs/dbraw/zinc/17/31/91/1032173191.db2.gz FQTDQGGGLXFDFF-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC001220883001 1032173202 /nfs/dbraw/zinc/17/32/02/1032173202.db2.gz FQTDQGGGLXFDFF-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC001220917166 1032187048 /nfs/dbraw/zinc/18/70/48/1032187048.db2.gz PGJRQUXDNFICSI-OALUTQOASA-N 2 1 397.485 3.866 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC001221101173 1032287137 /nfs/dbraw/zinc/28/71/37/1032287137.db2.gz PGHBFPRCPWKGEJ-UWVAXJGDSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001221443661 1032416728 /nfs/dbraw/zinc/41/67/28/1032416728.db2.gz GZMJUYXOSVJLJQ-CTNGQTDRSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001221443661 1032416735 /nfs/dbraw/zinc/41/67/35/1032416735.db2.gz GZMJUYXOSVJLJQ-CTNGQTDRSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001221443661 1032416744 /nfs/dbraw/zinc/41/67/44/1032416744.db2.gz GZMJUYXOSVJLJQ-CTNGQTDRSA-N 2 1 392.632 3.841 20 0 GHADMP C[N@H+]1CCCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC001221581711 1032470233 /nfs/dbraw/zinc/47/02/33/1032470233.db2.gz FAFZOSXXPHTCLO-JOCHJYFZSA-N 2 1 386.584 3.594 20 0 GHADMP CSc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155362491 1032519197 /nfs/dbraw/zinc/51/91/97/1032519197.db2.gz SIHBVWFGHQHUHQ-LJQANCHMSA-N 2 1 382.577 3.717 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC001227862742 1032652772 /nfs/dbraw/zinc/65/27/72/1032652772.db2.gz IIYKZLCCBUUJLU-FQEVSTJZSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H]([NH2+]C1(CN[C@H](CCC[NH3+])c2ccccc2)CCOCC1)c1ccccc1 ZINC000925512435 1017097602 /nfs/dbraw/zinc/09/76/02/1017097602.db2.gz CNFALIZYACVRPO-NZQKXSOJSA-N 2 1 381.564 3.956 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCc3nn(-c4ccccc4)cc3C2)cc1 ZINC001204270217 1032713965 /nfs/dbraw/zinc/71/39/65/1032713965.db2.gz QOPCQUMZUZKRIE-UHFFFAOYSA-N 2 1 390.531 3.761 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3nn(-c4ccccc4)cc3C2)cc1 ZINC001204270217 1032713982 /nfs/dbraw/zinc/71/39/82/1032713982.db2.gz QOPCQUMZUZKRIE-UHFFFAOYSA-N 2 1 390.531 3.761 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC001204271344 1032714822 /nfs/dbraw/zinc/71/48/22/1032714822.db2.gz JFONMINFCXOXPV-UHFFFAOYSA-N 2 1 378.520 3.835 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968957 1017994744 /nfs/dbraw/zinc/99/47/44/1017994744.db2.gz GCKAPYYPUXKPJV-XMMPIXPASA-N 2 1 378.516 3.946 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000562162166 1018057969 /nfs/dbraw/zinc/05/79/69/1018057969.db2.gz QAHYFYVQYJBVCG-JOCHJYFZSA-N 2 1 398.551 3.580 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000562510477 1018249327 /nfs/dbraw/zinc/24/93/27/1018249327.db2.gz HJIKRHRYVJUWIM-RPWUZVMVSA-N 2 1 396.575 3.935 20 0 GHADMP COC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccc(Cl)c1F ZINC000563741437 1018948855 /nfs/dbraw/zinc/94/88/55/1018948855.db2.gz UTXWTBQSADBIBM-SFHVURJKSA-N 2 1 392.906 3.832 20 0 GHADMP Cc1ccc(COc2ccc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000573167842 1019823531 /nfs/dbraw/zinc/82/35/31/1019823531.db2.gz ZYHJFGVTKSGBSN-UHFFFAOYSA-N 2 1 381.564 3.643 20 0 GHADMP CCOc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cs2)cc1 ZINC000575992025 1019966328 /nfs/dbraw/zinc/96/63/28/1019966328.db2.gz MXCISHGJCKQWPO-UXHICEINSA-N 2 1 387.549 3.537 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000576049485 1019973328 /nfs/dbraw/zinc/97/33/28/1019973328.db2.gz ABFQDRPCDIDYNY-FQEVSTJZSA-N 2 1 376.495 3.836 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000578102300 1020328012 /nfs/dbraw/zinc/32/80/12/1020328012.db2.gz CBWDPWPSZNXPRN-ARXROMJUSA-N 2 1 376.544 3.938 20 0 GHADMP OCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C2CC3CC(C2)CC1C3 ZINC000579593422 1020426394 /nfs/dbraw/zinc/42/63/94/1020426394.db2.gz IFEYTBWIPWAGNM-AHBRIATRSA-N 2 1 380.576 3.960 20 0 GHADMP OCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C2CC3CC(C2)CC1C3 ZINC000579593422 1020426396 /nfs/dbraw/zinc/42/63/96/1020426396.db2.gz IFEYTBWIPWAGNM-AHBRIATRSA-N 2 1 380.576 3.960 20 0 GHADMP Brc1ccc2c(C3CN(Cc4ccc5c(c4)CCO5)C3)[nH+]cn2c1 ZINC001204491177 1032924359 /nfs/dbraw/zinc/92/43/59/1032924359.db2.gz IMGRKCJAAFUKHV-UHFFFAOYSA-N 2 1 384.277 3.631 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCc3ncccc32)c1)C1CCOCC1 ZINC000631574523 1020891953 /nfs/dbraw/zinc/89/19/53/1020891953.db2.gz AQQJWKYMKGCHAE-DEOSSOPVSA-N 2 1 395.547 3.738 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(OC)c1OC ZINC000631618432 1020895254 /nfs/dbraw/zinc/89/52/54/1020895254.db2.gz SUKUHBYZUQCCTB-TZIWHRDSSA-N 2 1 384.520 3.511 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001140297533 1021341847 /nfs/dbraw/zinc/34/18/47/1021341847.db2.gz GSABWZDLHSHMEW-RBUKOAKNSA-N 2 1 390.984 3.674 20 0 GHADMP Cc1cc(N2CCCC2)nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001156314318 1032975032 /nfs/dbraw/zinc/97/50/32/1032975032.db2.gz FNWUSMNCZJYUCP-PWRODBHTSA-N 2 1 377.536 3.708 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ncccc4C[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001156317892 1032981696 /nfs/dbraw/zinc/98/16/96/1032981696.db2.gz NKYOONICPHFAPD-ACIOBRDBSA-N 2 1 376.548 4.000 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001140391243 1021550222 /nfs/dbraw/zinc/55/02/22/1021550222.db2.gz REYJQZQBDRWTGY-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP COc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001140479621 1021776226 /nfs/dbraw/zinc/77/62/26/1021776226.db2.gz LBEMJEDKXDKKIG-CDNPAEQRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001140479621 1021776250 /nfs/dbraw/zinc/77/62/50/1021776250.db2.gz LBEMJEDKXDKKIG-CDNPAEQRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001140479621 1021776268 /nfs/dbraw/zinc/77/62/68/1021776268.db2.gz LBEMJEDKXDKKIG-CDNPAEQRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001140479621 1021776286 /nfs/dbraw/zinc/77/62/86/1021776286.db2.gz LBEMJEDKXDKKIG-CDNPAEQRSA-N 2 1 383.511 3.962 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000835068334 1021855020 /nfs/dbraw/zinc/85/50/20/1021855020.db2.gz GHASHFUCRJSLOC-SJLPKXTDSA-N 2 1 399.539 3.558 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c1 ZINC001204652330 1033014892 /nfs/dbraw/zinc/01/48/92/1033014892.db2.gz LGZFDXSJUKYAGM-NRFANRHFSA-N 2 1 382.504 3.943 20 0 GHADMP Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(N2CCCC2)[nH+]1 ZINC000679700404 1022038541 /nfs/dbraw/zinc/03/85/41/1022038541.db2.gz ILDYJLOOTURCSP-JOCHJYFZSA-N 2 1 392.547 3.519 20 0 GHADMP Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(N2CCCC2)[nH+]1 ZINC000679700404 1022038555 /nfs/dbraw/zinc/03/85/55/1022038555.db2.gz ILDYJLOOTURCSP-JOCHJYFZSA-N 2 1 392.547 3.519 20 0 GHADMP Fc1cnc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001140606634 1022059789 /nfs/dbraw/zinc/05/97/89/1022059789.db2.gz LLWMMODDZNHLIU-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204685792 1033029928 /nfs/dbraw/zinc/02/99/28/1033029928.db2.gz JWGFOBFMJGMDEB-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204685792 1033029940 /nfs/dbraw/zinc/02/99/40/1033029940.db2.gz JWGFOBFMJGMDEB-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4csc5ccccc45)C3)O2)CC1 ZINC001140636602 1022125930 /nfs/dbraw/zinc/12/59/30/1022125930.db2.gz XASUHBGMQGWODU-NFBKMPQASA-N 2 1 399.604 3.662 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4csc5ccccc45)C3)O2)CC1 ZINC001140636602 1022125933 /nfs/dbraw/zinc/12/59/33/1022125933.db2.gz XASUHBGMQGWODU-NFBKMPQASA-N 2 1 399.604 3.662 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4csc5ccccc45)C3)O2)CC1 ZINC001140636602 1022125934 /nfs/dbraw/zinc/12/59/34/1022125934.db2.gz XASUHBGMQGWODU-NFBKMPQASA-N 2 1 399.604 3.662 20 0 GHADMP c1oc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001140784104 1022516984 /nfs/dbraw/zinc/51/69/84/1022516984.db2.gz UZSPYDNUWHQTPV-AUSIDOKSSA-N 2 1 377.488 3.551 20 0 GHADMP c1oc2ccccc2c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001140784104 1022516994 /nfs/dbraw/zinc/51/69/94/1022516994.db2.gz UZSPYDNUWHQTPV-AUSIDOKSSA-N 2 1 377.488 3.551 20 0 GHADMP c1oc2ccccc2c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001140784104 1022517007 /nfs/dbraw/zinc/51/70/07/1022517007.db2.gz UZSPYDNUWHQTPV-AUSIDOKSSA-N 2 1 377.488 3.551 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801445 1022569341 /nfs/dbraw/zinc/56/93/41/1022569341.db2.gz NUFRGUGMUCHUCG-OAQYLSRUSA-N 2 1 380.517 3.753 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801445 1022569355 /nfs/dbraw/zinc/56/93/55/1022569355.db2.gz NUFRGUGMUCHUCG-OAQYLSRUSA-N 2 1 380.517 3.753 20 0 GHADMP Fc1ccc(N2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)c(F)c1Cl ZINC001204763196 1033075950 /nfs/dbraw/zinc/07/59/50/1033075950.db2.gz HWOLHRUTXUGOPC-UHFFFAOYSA-N 2 1 383.895 3.648 20 0 GHADMP COc1ccc([C@H]2CSCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140974015 1023050952 /nfs/dbraw/zinc/05/09/52/1023050952.db2.gz VGFXPIGNXTUCFH-HSZRJFAPSA-N 2 1 397.588 3.737 20 0 GHADMP COc1ccc(C2=CC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)CC2)cc1 ZINC001140975081 1023057450 /nfs/dbraw/zinc/05/74/50/1023057450.db2.gz NEMJYJWOVWEXRN-UHFFFAOYSA-N 2 1 377.532 3.736 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccc(C(C)(C)C)c4)C3)O2)CC1 ZINC001141103510 1023501951 /nfs/dbraw/zinc/50/19/51/1023501951.db2.gz PLAGCFSNVRFLIA-ILBGXUMGSA-N 2 1 399.623 3.745 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4cccc(C(C)(C)C)c4)C3)O2)CC1 ZINC001141103510 1023501964 /nfs/dbraw/zinc/50/19/64/1023501964.db2.gz PLAGCFSNVRFLIA-ILBGXUMGSA-N 2 1 399.623 3.745 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccc(C(C)(C)C)c4)C3)O2)CC1 ZINC001141103510 1023501967 /nfs/dbraw/zinc/50/19/67/1023501967.db2.gz PLAGCFSNVRFLIA-ILBGXUMGSA-N 2 1 399.623 3.745 20 0 GHADMP CCc1ccccc1C[N@H+]1CC[C@@H]2CN(Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001141226501 1024199551 /nfs/dbraw/zinc/19/95/51/1024199551.db2.gz DHKMMZAZLJYION-IFMALSPDSA-N 2 1 385.577 3.737 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831022388 1024313009 /nfs/dbraw/zinc/31/30/09/1024313009.db2.gz XSRGODJFUUQLDG-WMZOPIPTSA-N 2 1 376.545 3.739 20 0 GHADMP CN(C)c1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001141261263 1024326167 /nfs/dbraw/zinc/32/61/67/1024326167.db2.gz NZHUIKGZOQTUKY-ZCYQVOJMSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001141261263 1024326185 /nfs/dbraw/zinc/32/61/85/1024326185.db2.gz NZHUIKGZOQTUKY-ZCYQVOJMSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001141261263 1024326201 /nfs/dbraw/zinc/32/62/01/1024326201.db2.gz NZHUIKGZOQTUKY-ZCYQVOJMSA-N 2 1 397.607 3.713 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522731 1024616184 /nfs/dbraw/zinc/61/61/84/1024616184.db2.gz VHCCPDQLMBYNLZ-UXHICEINSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522731 1024616191 /nfs/dbraw/zinc/61/61/91/1024616191.db2.gz VHCCPDQLMBYNLZ-UXHICEINSA-N 2 1 389.902 3.892 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@H]3C2)c1 ZINC001141405037 1024913857 /nfs/dbraw/zinc/91/38/57/1024913857.db2.gz BRDAJSXHRUOONA-PMACEKPBSA-N 2 1 398.572 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(Oc3ccc(Cl)nn3)CC2)cc1 ZINC001138550029 1024998668 /nfs/dbraw/zinc/99/86/68/1024998668.db2.gz HUQJYSOQHCFMBP-UHFFFAOYSA-N 2 1 383.883 3.668 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cnc(C(F)(F)F)nc1)CC2 ZINC001141455522 1025106948 /nfs/dbraw/zinc/10/69/48/1025106948.db2.gz BBZAIFLINFKENP-KRWDZBQOSA-N 2 1 394.441 3.965 20 0 GHADMP CC1(C)CC[N@@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001229069400 1033261761 /nfs/dbraw/zinc/26/17/61/1033261761.db2.gz LKOVDSQADNHWLT-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)CC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001229069400 1033261773 /nfs/dbraw/zinc/26/17/73/1033261773.db2.gz LKOVDSQADNHWLT-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)CC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001229069400 1033261786 /nfs/dbraw/zinc/26/17/86/1033261786.db2.gz LKOVDSQADNHWLT-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP CCSc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001138657608 1025174321 /nfs/dbraw/zinc/17/43/21/1025174321.db2.gz JTXYITPYQTXUQM-NHCUHLMSSA-N 2 1 382.577 3.933 20 0 GHADMP CCSc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001138657608 1025174326 /nfs/dbraw/zinc/17/43/26/1025174326.db2.gz JTXYITPYQTXUQM-NHCUHLMSSA-N 2 1 382.577 3.933 20 0 GHADMP CCSc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001138657608 1025174332 /nfs/dbraw/zinc/17/43/32/1025174332.db2.gz JTXYITPYQTXUQM-NHCUHLMSSA-N 2 1 382.577 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257599 1025378599 /nfs/dbraw/zinc/37/85/99/1025378599.db2.gz KEAQMUOYUPUKGZ-RBUKOAKNSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257599 1025378610 /nfs/dbraw/zinc/37/86/10/1025378610.db2.gz KEAQMUOYUPUKGZ-RBUKOAKNSA-N 2 1 376.545 3.551 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)Cc2ccc(C)c(C)c2)c1C ZINC001141575991 1025650555 /nfs/dbraw/zinc/65/05/55/1025650555.db2.gz ANCMOQFVSDDASD-UHFFFAOYSA-N 2 1 398.595 3.952 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cc(Cl)ccc45)C[C@H]3C2)cn1 ZINC001141583988 1025718736 /nfs/dbraw/zinc/71/87/36/1025718736.db2.gz ZPUJLPSOWOOPOF-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cc(Cl)ccc45)C[C@H]3C2)cn1 ZINC001141583988 1025718742 /nfs/dbraw/zinc/71/87/42/1025718742.db2.gz ZPUJLPSOWOOPOF-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5cc(Cl)ccc45)C[C@H]3C2)cn1 ZINC001141583988 1025718752 /nfs/dbraw/zinc/71/87/52/1025718752.db2.gz ZPUJLPSOWOOPOF-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5cc(Cl)ccc45)C[C@H]3C2)cn1 ZINC001141583988 1025718760 /nfs/dbraw/zinc/71/87/60/1025718760.db2.gz ZPUJLPSOWOOPOF-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1ccc3c(c1)[nH+]cn3[C@H]1CCC[NH2+]CC1)C(=O)N2 ZINC001162565539 1025797839 /nfs/dbraw/zinc/79/78/39/1025797839.db2.gz IFVGIIPASVATIG-HRAATJIYSA-N 2 1 375.476 3.765 20 0 GHADMP CCCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001139040356 1025819955 /nfs/dbraw/zinc/81/99/55/1025819955.db2.gz FEWHKHSHKXHBOA-UHFFFAOYSA-N 2 1 382.552 3.790 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(-c4ccc(F)cc4)c3)CC2)CC1 ZINC001139069454 1025868986 /nfs/dbraw/zinc/86/89/86/1025868986.db2.gz LWWGJYUNIYLODF-UHFFFAOYSA-N 2 1 395.522 3.654 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2nc(C(C)(C)C)cs2)[C@@H](c2ccccc2)C1 ZINC001461037433 1069351670 /nfs/dbraw/zinc/35/16/70/1069351670.db2.gz SKHKCFJOJUYLCM-LJQANCHMSA-N 2 1 386.609 3.909 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cc4c(cn3)OCCO4)cc2)C1 ZINC001461051446 1069362007 /nfs/dbraw/zinc/36/20/07/1069362007.db2.gz SCRHYIKWSMVNCD-HDICACEKSA-N 2 1 381.520 3.621 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cc4c(cn3)OCCO4)cc2)C1 ZINC001461051446 1069362022 /nfs/dbraw/zinc/36/20/22/1069362022.db2.gz SCRHYIKWSMVNCD-HDICACEKSA-N 2 1 381.520 3.621 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3nonc3c1)CC2 ZINC001139220067 1026075719 /nfs/dbraw/zinc/07/57/19/1026075719.db2.gz BRRSTQQZMIYEQF-QGZVFWFLSA-N 2 1 398.532 3.540 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001139337655 1026199591 /nfs/dbraw/zinc/19/95/91/1026199591.db2.gz WFFDRFXJNRYPAF-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001139337655 1026199595 /nfs/dbraw/zinc/19/95/95/1026199595.db2.gz WFFDRFXJNRYPAF-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001139337655 1026199601 /nfs/dbraw/zinc/19/96/01/1026199601.db2.gz WFFDRFXJNRYPAF-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)c12 ZINC001163644666 1026264903 /nfs/dbraw/zinc/26/49/03/1026264903.db2.gz IRGXKHLHZYMRHU-PGRDOPGGSA-N 2 1 383.540 3.876 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(N(C)C)nc2)CC3)c1 ZINC001139456410 1026322645 /nfs/dbraw/zinc/32/26/45/1026322645.db2.gz FFYQBISPBTWYNL-UHFFFAOYSA-N 2 1 394.563 3.644 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2N2CCOCC2)CC3)co1 ZINC001139507517 1026362096 /nfs/dbraw/zinc/36/20/96/1026362096.db2.gz KHBRINGTYVFTFR-UHFFFAOYSA-N 2 1 395.547 3.604 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@@]4(CCOC4)C3)CC2)cc1 ZINC001139514526 1026370084 /nfs/dbraw/zinc/37/00/84/1026370084.db2.gz MRYYNQOPLVUXLE-RUZDIDTESA-N 2 1 391.559 3.621 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cccc(Cl)n1)CC2 ZINC001139548612 1026412148 /nfs/dbraw/zinc/41/21/48/1026412148.db2.gz LJRKYKISEVYUPS-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001139548612 1026412153 /nfs/dbraw/zinc/41/21/53/1026412153.db2.gz LJRKYKISEVYUPS-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001139548612 1026412161 /nfs/dbraw/zinc/41/21/61/1026412161.db2.gz LJRKYKISEVYUPS-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP C[NH+](C)C1(CNc2ccc(OCc3ccccc3)c(F)c2F)CC[NH+](C)CC1 ZINC001164212103 1026454820 /nfs/dbraw/zinc/45/48/20/1026454820.db2.gz YMNYTPIXLXOGLN-UHFFFAOYSA-N 2 1 389.490 3.982 20 0 GHADMP COc1c(C)c(C)c(Br)c(NCC2([NH+](C)C)CC[NH+](C)CC2)c1C ZINC001164213538 1026455231 /nfs/dbraw/zinc/45/52/31/1026455231.db2.gz VPYOXWMVIWAGAT-UHFFFAOYSA-N 2 1 398.389 3.821 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc(O[C@H]5CCOC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001164499036 1026535009 /nfs/dbraw/zinc/53/50/09/1026535009.db2.gz KQHCZTUVHBHHAE-QESAQDPVSA-N 2 1 379.504 3.572 20 0 GHADMP Cn1c(=O)cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC001139757714 1026596506 /nfs/dbraw/zinc/59/65/06/1026596506.db2.gz CTGRYXCKJWRAQL-VWLOTQADSA-N 2 1 387.527 3.637 20 0 GHADMP Cn1c(=O)cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC001139757714 1026596516 /nfs/dbraw/zinc/59/65/16/1026596516.db2.gz CTGRYXCKJWRAQL-VWLOTQADSA-N 2 1 387.527 3.637 20 0 GHADMP Cn1c(=O)cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC001139757714 1026596521 /nfs/dbraw/zinc/59/65/21/1026596521.db2.gz CTGRYXCKJWRAQL-VWLOTQADSA-N 2 1 387.527 3.637 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](C(C)(C)C)CC3)c2c1C ZINC001165090615 1026600206 /nfs/dbraw/zinc/60/02/06/1026600206.db2.gz FUUQBELRDNORLS-UHFFFAOYSA-N 2 1 387.597 3.824 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CCC([C@@H]5CCC[NH2+]5)CC4)ccc3C2)cc1 ZINC001165106319 1026609666 /nfs/dbraw/zinc/60/96/66/1026609666.db2.gz CMZPGEWMFLHQJH-QFIPXVFZSA-N 2 1 376.548 3.608 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001461123613 1069402721 /nfs/dbraw/zinc/40/27/21/1069402721.db2.gz WMBQMBBDHZNSJR-GOSISDBHSA-N 2 1 387.568 3.801 20 0 GHADMP c1ccc2c(c1)CC[N@H+](C1CCN(c3ncccc3C[NH+]3CCCC3)CC1)C2 ZINC001165153922 1026637612 /nfs/dbraw/zinc/63/76/12/1026637612.db2.gz HIYOIYURTGRDGH-UHFFFAOYSA-N 2 1 376.548 3.705 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1 ZINC001165170357 1026646518 /nfs/dbraw/zinc/64/65/18/1026646518.db2.gz WGDZBFHZMXTZNG-ZDXQCDESSA-N 2 1 376.548 3.606 20 0 GHADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc4c5ccccc5oc43)CC2)CC1 ZINC001139858417 1026671023 /nfs/dbraw/zinc/67/10/23/1026671023.db2.gz ISRBBGVSLOFWLA-UHFFFAOYSA-N 2 1 391.515 3.572 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3c[nH]c4ncnc(Cl)c34)CC2)c2ccccc2[nH+]1 ZINC001139934520 1026741559 /nfs/dbraw/zinc/74/15/59/1026741559.db2.gz FAQBUGRSDAWLSF-UHFFFAOYSA-N 2 1 392.894 3.742 20 0 GHADMP Cc1nccn1-c1ccccc1CN1CCCn2cnc(COCC3CC3)c2C1 ZINC001140025640 1026813722 /nfs/dbraw/zinc/81/37/22/1026813722.db2.gz QWLHXZQLNMOXMD-UHFFFAOYSA-N 2 1 391.519 3.710 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(OC(F)F)c3)CC2)oc1C ZINC001461149498 1069414051 /nfs/dbraw/zinc/41/40/51/1069414051.db2.gz YUMDPDNPRACUEC-UHFFFAOYSA-N 2 1 379.451 3.895 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(O)cc1F)CC2 ZINC001140126287 1026903434 /nfs/dbraw/zinc/90/34/34/1026903434.db2.gz SXJZKTFPRFGARX-HXUWFJFHSA-N 2 1 384.495 3.787 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3nc(Cl)ccc3NC(=O)OC(C)(C)C)C2)CC1 ZINC001140188209 1026961069 /nfs/dbraw/zinc/96/10/69/1026961069.db2.gz QOTZXOUTNKXBHM-UHFFFAOYSA-N 2 1 394.947 4.000 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(Cl)ccc3NC(=O)OC(C)(C)C)C2)CC1 ZINC001140188209 1026961072 /nfs/dbraw/zinc/96/10/72/1026961072.db2.gz QOTZXOUTNKXBHM-UHFFFAOYSA-N 2 1 394.947 4.000 20 0 GHADMP CN(C)c1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001209773690 1027181091 /nfs/dbraw/zinc/18/10/91/1027181091.db2.gz GFUFJNXUUSEKJH-ZCYQVOJMSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209773690 1027181098 /nfs/dbraw/zinc/18/10/98/1027181098.db2.gz GFUFJNXUUSEKJH-ZCYQVOJMSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209773690 1027181104 /nfs/dbraw/zinc/18/11/04/1027181104.db2.gz GFUFJNXUUSEKJH-ZCYQVOJMSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209777897 1027185952 /nfs/dbraw/zinc/18/59/52/1027185952.db2.gz PUGMQDYAGVJMQF-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC001461227744 1069452166 /nfs/dbraw/zinc/45/21/66/1069452166.db2.gz CMNIOCCQKWNKPP-UGKGYDQZSA-N 3 1 387.593 3.861 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC001461227744 1069452168 /nfs/dbraw/zinc/45/21/68/1069452168.db2.gz CMNIOCCQKWNKPP-UGKGYDQZSA-N 3 1 387.593 3.861 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC000122926467 1027327871 /nfs/dbraw/zinc/32/78/71/1027327871.db2.gz OVCVSUIKDJYHLU-UHFFFAOYSA-N 2 1 393.491 3.549 20 0 GHADMP CCOc1ccccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001203536682 1027414161 /nfs/dbraw/zinc/41/41/61/1027414161.db2.gz DGQWABDBSKTSEZ-JOCHJYFZSA-N 2 1 395.547 3.736 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc(OC)c1 ZINC001203855676 1027662706 /nfs/dbraw/zinc/66/27/06/1027662706.db2.gz PZDXQCKKYQXRTA-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1 ZINC001203955387 1027751096 /nfs/dbraw/zinc/75/10/96/1027751096.db2.gz MTJUBKIIDNCJDM-JOCHJYFZSA-N 2 1 380.532 3.951 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001203971281 1027772746 /nfs/dbraw/zinc/77/27/46/1027772746.db2.gz UJFOZBUXZVZXRK-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001203971281 1027772763 /nfs/dbraw/zinc/77/27/63/1027772763.db2.gz UJFOZBUXZVZXRK-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001203971281 1027772782 /nfs/dbraw/zinc/77/27/82/1027772782.db2.gz UJFOZBUXZVZXRK-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001203971281 1027772797 /nfs/dbraw/zinc/77/27/97/1027772797.db2.gz UJFOZBUXZVZXRK-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001203982016 1027778553 /nfs/dbraw/zinc/77/85/53/1027778553.db2.gz JVXPJQQSZLNAON-ILBGXUMGSA-N 2 1 387.527 3.958 20 0 GHADMP c1ccc2c(c1)cccc2C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001203982016 1027778574 /nfs/dbraw/zinc/77/85/74/1027778574.db2.gz JVXPJQQSZLNAON-ILBGXUMGSA-N 2 1 387.527 3.958 20 0 GHADMP c1ccc2c(c1)cccc2C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001203982016 1027778594 /nfs/dbraw/zinc/77/85/94/1027778594.db2.gz JVXPJQQSZLNAON-ILBGXUMGSA-N 2 1 387.527 3.958 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1sccc1C)CC2 ZINC001204019852 1027808949 /nfs/dbraw/zinc/80/89/49/1027808949.db2.gz PMOHALATVLAZNM-HXUWFJFHSA-N 2 1 385.577 3.955 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)cs1 ZINC001204037078 1027827081 /nfs/dbraw/zinc/82/70/81/1027827081.db2.gz GFJCRTQUROGAJF-GGAORHGYSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)cs1 ZINC001204037078 1027827103 /nfs/dbraw/zinc/82/71/03/1027827103.db2.gz GFJCRTQUROGAJF-GGAORHGYSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)cs1 ZINC001204037078 1027827120 /nfs/dbraw/zinc/82/71/20/1027827120.db2.gz GFJCRTQUROGAJF-GGAORHGYSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)cs1 ZINC001204037078 1027827135 /nfs/dbraw/zinc/82/71/35/1027827135.db2.gz GFJCRTQUROGAJF-GGAORHGYSA-N 2 1 397.588 3.894 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccsc1 ZINC001211237196 1027852004 /nfs/dbraw/zinc/85/20/04/1027852004.db2.gz RRAPUTYYSZNCIO-NSHGMRRFSA-N 2 1 394.629 3.798 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001142016663 1027889340 /nfs/dbraw/zinc/88/93/40/1027889340.db2.gz OLBTWTLISLIBMU-NQIIRXRSSA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001142016663 1027889362 /nfs/dbraw/zinc/88/93/62/1027889362.db2.gz OLBTWTLISLIBMU-NQIIRXRSSA-N 2 1 377.548 3.807 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001211312817 1027904667 /nfs/dbraw/zinc/90/46/67/1027904667.db2.gz PCHRIXVEZMSLQQ-OYRHEFFESA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(OCC[NH3+])c3)cc2)C1 ZINC000841290140 1028375321 /nfs/dbraw/zinc/37/53/21/1028375321.db2.gz BYOFRWBCPNPGKZ-GOSISDBHSA-N 2 1 396.535 3.578 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001214829781 1028928454 /nfs/dbraw/zinc/92/84/54/1028928454.db2.gz ASULZEXORAXEDT-YADHBBJMSA-N 2 1 384.568 3.853 20 0 GHADMP O=C1OCCN1c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000842696016 1029504768 /nfs/dbraw/zinc/50/47/68/1029504768.db2.gz JAZRUJQPKZETCU-OAQYLSRUSA-N 2 1 391.515 3.930 20 0 GHADMP O=C1OCCN1c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000842696016 1029504783 /nfs/dbraw/zinc/50/47/83/1029504783.db2.gz JAZRUJQPKZETCU-OAQYLSRUSA-N 2 1 391.515 3.930 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000842924698 1029689509 /nfs/dbraw/zinc/68/95/09/1029689509.db2.gz SOYLNJGOVSGCFR-HKBOAZHASA-N 2 1 387.568 3.711 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(F)c2ccccc12 ZINC001143145960 1029868448 /nfs/dbraw/zinc/86/84/48/1029868448.db2.gz RTMXUXKWDLQQSW-HXUWFJFHSA-N 2 1 399.554 3.786 20 0 GHADMP CN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000843355393 1029935179 /nfs/dbraw/zinc/93/51/79/1029935179.db2.gz MSZNZXCVUFSEDG-BBHUYCHWSA-N 2 1 383.511 3.575 20 0 GHADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363721 1029941988 /nfs/dbraw/zinc/94/19/88/1029941988.db2.gz LJPSYQYIRBLYKV-OAQYLSRUSA-N 2 1 383.580 3.723 20 0 GHADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843363720 1029942495 /nfs/dbraw/zinc/94/24/95/1029942495.db2.gz LJPSYQYIRBLYKV-NRFANRHFSA-N 2 1 383.580 3.723 20 0 GHADMP Cc1cc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c(OCc2ccccc2)cc1C ZINC001222186921 1029993402 /nfs/dbraw/zinc/99/34/02/1029993402.db2.gz UFAPGHXTMCBDSJ-UHFFFAOYSA-N 2 1 380.532 3.837 20 0 GHADMP Cc1cc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c(OCc2ccccc2)cc1C ZINC001222186921 1029993408 /nfs/dbraw/zinc/99/34/08/1029993408.db2.gz UFAPGHXTMCBDSJ-UHFFFAOYSA-N 2 1 380.532 3.837 20 0 GHADMP C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001222211099 1030008758 /nfs/dbraw/zinc/00/87/58/1030008758.db2.gz KQVIDJJPZXKALD-IIZPIQPGSA-N 2 1 388.600 3.735 20 0 GHADMP COc1ccc(-c2ncc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)s2)cc1OC ZINC001222272044 1030042194 /nfs/dbraw/zinc/04/21/94/1030042194.db2.gz LVXOIIUYNZVBHG-OAQYLSRUSA-N 2 1 387.549 3.793 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)s2)cc1OC ZINC001222272044 1030042207 /nfs/dbraw/zinc/04/22/07/1030042207.db2.gz LVXOIIUYNZVBHG-OAQYLSRUSA-N 2 1 387.549 3.793 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222407338 1030111417 /nfs/dbraw/zinc/11/14/17/1030111417.db2.gz FVEPJLSCHQJROJ-UHFFFAOYSA-N 2 1 395.547 3.665 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)c1 ZINC001461634909 1069650954 /nfs/dbraw/zinc/65/09/54/1069650954.db2.gz SAACTPLUOXULQI-XZOQPEGZSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001461634909 1069650957 /nfs/dbraw/zinc/65/09/57/1069650957.db2.gz SAACTPLUOXULQI-XZOQPEGZSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001461634909 1069650961 /nfs/dbraw/zinc/65/09/61/1069650961.db2.gz SAACTPLUOXULQI-XZOQPEGZSA-N 2 1 383.580 3.873 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3nonc32)cc1 ZINC001222575325 1030204957 /nfs/dbraw/zinc/20/49/57/1030204957.db2.gz NCGNIWQOJNYJQX-HXUWFJFHSA-N 2 1 392.503 3.526 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3nonc3c2)cc1 ZINC001222582964 1030210650 /nfs/dbraw/zinc/21/06/50/1030210650.db2.gz IRMHFYNYYLBROH-FQEVSTJZSA-N 2 1 392.503 3.526 20 0 GHADMP c1c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2ncccc12 ZINC001222582849 1030212230 /nfs/dbraw/zinc/21/22/30/1030212230.db2.gz IKLXHXAWFSBSNH-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2ncccc12 ZINC001222582849 1030212241 /nfs/dbraw/zinc/21/22/41/1030212241.db2.gz IKLXHXAWFSBSNH-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP FC(F)(F)Oc1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222624353 1030247249 /nfs/dbraw/zinc/24/72/49/1030247249.db2.gz YNKDTOMARXJTEI-TXEJJXNPSA-N 2 1 393.247 3.779 20 0 GHADMP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC001222629488 1030249387 /nfs/dbraw/zinc/24/93/87/1030249387.db2.gz JKDJFZQNMTXBPV-TXEJJXNPSA-N 2 1 388.147 3.643 20 0 GHADMP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCCC1 ZINC001223075544 1030425853 /nfs/dbraw/zinc/42/58/53/1030425853.db2.gz LVAXFUJBVBDWFJ-YADHBBJMSA-N 2 1 392.632 3.983 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001223090520 1030435127 /nfs/dbraw/zinc/43/51/27/1030435127.db2.gz WFIRKKAHGDEYPZ-HJNYFJLDSA-N 2 1 388.600 3.705 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001223444050 1030576365 /nfs/dbraw/zinc/57/63/65/1030576365.db2.gz LTAZNBQDMMEZKV-RTBURBONSA-N 2 1 392.613 3.647 20 0 GHADMP COc1ccc([C@H]([NH3+])CCOC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)cc1 ZINC001217908535 1030671212 /nfs/dbraw/zinc/67/12/12/1030671212.db2.gz JJMYUFPGUDMNBY-DHIUTWEWSA-N 2 1 398.547 3.781 20 0 GHADMP c1ccc(C(c2ccccc2)[NH+]2CC(Oc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001218192248 1030816588 /nfs/dbraw/zinc/81/65/88/1030816588.db2.gz JKFPGYFMWGBZRV-UHFFFAOYSA-N 2 1 399.538 3.949 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1N1CC[NH2+]CC1 ZINC001218249704 1030852587 /nfs/dbraw/zinc/85/25/87/1030852587.db2.gz YYDDNNFBCCCDST-HSZRJFAPSA-N 2 1 379.548 3.776 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218334522 1030900136 /nfs/dbraw/zinc/90/01/36/1030900136.db2.gz BLJJMYBKRURJHB-CJFMBICVSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218334522 1030900142 /nfs/dbraw/zinc/90/01/42/1030900142.db2.gz BLJJMYBKRURJHB-CJFMBICVSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218334522 1030900148 /nfs/dbraw/zinc/90/01/48/1030900148.db2.gz BLJJMYBKRURJHB-CJFMBICVSA-N 3 1 393.575 3.899 20 0 GHADMP COC(=O)C[C@@H]([NH3+])c1cccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC001218342533 1030903406 /nfs/dbraw/zinc/90/34/06/1030903406.db2.gz WTLLMNNVFWPPDX-ADGBJGEGSA-N 2 1 394.515 3.539 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(O[C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)cc2)CC1 ZINC001218410797 1030926955 /nfs/dbraw/zinc/92/69/55/1030926955.db2.gz NYYSNDVYZZQOCE-QFIPXVFZSA-N 2 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3CC[N@H+](Cc4ccccc4Cl)C3)cc2)CC1 ZINC001218410797 1030926958 /nfs/dbraw/zinc/92/69/58/1030926958.db2.gz NYYSNDVYZZQOCE-QFIPXVFZSA-N 3 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)cc2)CC1 ZINC001218410797 1030926962 /nfs/dbraw/zinc/92/69/62/1030926962.db2.gz NYYSNDVYZZQOCE-QFIPXVFZSA-N 3 1 399.966 3.916 20 0 GHADMP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001218713068 1031045865 /nfs/dbraw/zinc/04/58/65/1031045865.db2.gz QNINFQYWLXXICJ-NVXWUHKLSA-N 2 1 388.899 3.603 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001152023578 1031077384 /nfs/dbraw/zinc/07/73/84/1031077384.db2.gz LDYMWHIBALKSRN-GOTSBHOMSA-N 2 1 379.548 3.850 20 0 GHADMP c1ccc(CN2CCO[C@H](COC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224830018 1031140320 /nfs/dbraw/zinc/14/03/20/1031140320.db2.gz LMFBZIHAYOUDJO-DQEYMECFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](COC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224830018 1031140326 /nfs/dbraw/zinc/14/03/26/1031140326.db2.gz LMFBZIHAYOUDJO-DQEYMECFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](COC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224830018 1031140333 /nfs/dbraw/zinc/14/03/33/1031140333.db2.gz LMFBZIHAYOUDJO-DQEYMECFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCO[C@H](COC[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224830018 1031140339 /nfs/dbraw/zinc/14/03/39/1031140339.db2.gz LMFBZIHAYOUDJO-DQEYMECFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCO[C@H](COC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224830018 1031140342 /nfs/dbraw/zinc/14/03/42/1031140342.db2.gz LMFBZIHAYOUDJO-DQEYMECFSA-N 2 1 394.559 3.816 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]([NH3+])Cc1cccc(O)c1)C1CCCCC1 ZINC001219023595 1031216451 /nfs/dbraw/zinc/21/64/51/1031216451.db2.gz GPCFMEKUQXWNKF-NRFANRHFSA-N 2 1 381.520 3.665 20 0 GHADMP C[C@H]([NH3+])c1ncc(C(=O)Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)s1 ZINC001219047299 1031230047 /nfs/dbraw/zinc/23/00/47/1031230047.db2.gz UXOOUPYCKZCYMC-YOEHRIQHSA-N 2 1 392.528 3.992 20 0 GHADMP C[C@H]([NH3+])c1ncc(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)s1 ZINC001219047299 1031230057 /nfs/dbraw/zinc/23/00/57/1031230057.db2.gz UXOOUPYCKZCYMC-YOEHRIQHSA-N 2 1 392.528 3.992 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(Cl)ccc1F ZINC001225289843 1031332443 /nfs/dbraw/zinc/33/24/43/1031332443.db2.gz SEOSTIMLROIKSP-WBVHZDCISA-N 2 1 398.954 3.598 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(Cl)ccc1F ZINC001225289842 1031332947 /nfs/dbraw/zinc/33/29/47/1031332947.db2.gz SEOSTIMLROIKSP-NVXWUHKLSA-N 2 1 398.954 3.598 20 0 GHADMP O=C(Nc1ccc2c(c1)N=NC2)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219415553 1031409352 /nfs/dbraw/zinc/40/93/52/1031409352.db2.gz ZMFMCXXOVICSSX-AUSIDOKSSA-N 2 1 389.503 3.724 20 0 GHADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1CCC2(CC2)CC1 ZINC001219726849 1031580923 /nfs/dbraw/zinc/58/09/23/1031580923.db2.gz QRFVKLMVGGVITQ-JOCHJYFZSA-N 2 1 395.591 3.575 20 0 GHADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1 ZINC001219940877 1031708113 /nfs/dbraw/zinc/70/81/13/1031708113.db2.gz HHKDXUPRRRDLAB-YKSBVNFPSA-N 2 1 387.527 3.868 20 0 GHADMP C[NH2+]CCNc1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001156893499 1033306325 /nfs/dbraw/zinc/30/63/25/1033306325.db2.gz HMDVUBCDMOPKAZ-UHFFFAOYSA-N 2 1 381.549 3.976 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001229186280 1033328612 /nfs/dbraw/zinc/32/86/12/1033328612.db2.gz NCPQYWFDDSHZBJ-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)[NH+](CC)CC)cc1 ZINC001229303313 1033404510 /nfs/dbraw/zinc/40/45/10/1033404510.db2.gz PPTOSNHPOXTEPA-DXIQSLLYSA-N 2 1 388.600 3.756 20 0 GHADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001157168793 1033445031 /nfs/dbraw/zinc/44/50/31/1033445031.db2.gz ACJWIWYIUUOHPO-INIZCTEOSA-N 2 1 396.963 3.582 20 0 GHADMP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])CSc2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615232 1033690754 /nfs/dbraw/zinc/69/07/54/1033690754.db2.gz DMCGMZCXJJAEFM-SVFBPWRDSA-N 2 1 397.588 3.618 20 0 GHADMP C[C@@H]1[C@@H]([NH3+])CCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001157744143 1033749108 /nfs/dbraw/zinc/74/91/08/1033749108.db2.gz KYZLLRNMVDIRPB-WBVHZDCISA-N 2 1 399.608 3.872 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@@H]([NH3+])[C@@H]3C)n2)CCC4)CC1 ZINC001157745367 1033750052 /nfs/dbraw/zinc/75/00/52/1033750052.db2.gz NOMBJAWIEFYXDN-DOTOQJQBSA-N 2 1 399.608 3.728 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)c(Br)c2)CC1 ZINC001206327851 1033797483 /nfs/dbraw/zinc/79/74/83/1033797483.db2.gz YYWCCCZPFSXZNY-GOSISDBHSA-N 2 1 377.330 3.586 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CC1 ZINC001206324874 1033798156 /nfs/dbraw/zinc/79/81/56/1033798156.db2.gz FFVIEUFCXNFJNI-CQSZACIVSA-N 2 1 380.252 3.814 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(I)ccc2Cl)CC1 ZINC001206338334 1033801860 /nfs/dbraw/zinc/80/18/60/1033801860.db2.gz ZYCHAEWVIMKKGS-OAHLLOKOSA-N 2 1 392.712 3.896 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)C1 ZINC001206584508 1033915197 /nfs/dbraw/zinc/91/51/97/1033915197.db2.gz ZNMGRWCVWXQAQJ-HSZRJFAPSA-N 2 1 382.504 3.945 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)C1 ZINC001206584508 1033915201 /nfs/dbraw/zinc/91/52/01/1033915201.db2.gz ZNMGRWCVWXQAQJ-HSZRJFAPSA-N 2 1 382.504 3.945 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(Br)c2nsnc21)[C@@H]1CCC[NH2+]CC1 ZINC001206606127 1033922169 /nfs/dbraw/zinc/92/21/69/1033922169.db2.gz DZTFKBZYJIOORL-CYBMUJFWSA-N 2 1 383.359 3.806 20 0 GHADMP COc1ccc(CN(c2cc(N3CCCC3)nc(C)[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158156226 1033941360 /nfs/dbraw/zinc/94/13/60/1033941360.db2.gz OECGBMLOULUZFG-MXVIHJGJSA-N 2 1 395.551 3.670 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206711032 1033953484 /nfs/dbraw/zinc/95/34/84/1033953484.db2.gz VMDTXVCCWLIKRO-UHFFFAOYSA-N 2 1 389.337 3.913 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206711032 1033953486 /nfs/dbraw/zinc/95/34/86/1033953486.db2.gz VMDTXVCCWLIKRO-UHFFFAOYSA-N 2 1 389.337 3.913 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206716540 1033955259 /nfs/dbraw/zinc/95/52/59/1033955259.db2.gz DHTACQZEKGHECD-DEOSSOPVSA-N 2 1 396.531 3.571 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206716540 1033955262 /nfs/dbraw/zinc/95/52/62/1033955262.db2.gz DHTACQZEKGHECD-DEOSSOPVSA-N 2 1 396.531 3.571 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001206745029 1033966381 /nfs/dbraw/zinc/96/63/81/1033966381.db2.gz NLUVVHHDBGVXIR-HSZRJFAPSA-N 3 1 377.576 3.891 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206745029 1033966386 /nfs/dbraw/zinc/96/63/86/1033966386.db2.gz NLUVVHHDBGVXIR-HSZRJFAPSA-N 2 1 377.576 3.891 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(Br)cnc2Cl)CC1 ZINC001206750122 1033968230 /nfs/dbraw/zinc/96/82/30/1033968230.db2.gz VZTFIIFKTZLLPU-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP Cc1ccc(-c2nc3ccccc3c(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)n2)cc1 ZINC001158262116 1033991571 /nfs/dbraw/zinc/99/15/71/1033991571.db2.gz RKBISNKMABEJHI-IBGZPJMESA-N 2 1 387.531 3.607 20 0 GHADMP Cc1ccc(-c2nc3ccccc3c(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)n2)cc1 ZINC001158262116 1033991576 /nfs/dbraw/zinc/99/15/76/1033991576.db2.gz RKBISNKMABEJHI-IBGZPJMESA-N 2 1 387.531 3.607 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206812543 1033994625 /nfs/dbraw/zinc/99/46/25/1033994625.db2.gz ZJNITYBTMVZHCE-PKOBYXMFSA-N 2 1 382.504 3.611 20 0 GHADMP O=C(N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1(CC2CCC2)CC[NH2+]CC1 ZINC001158567922 1034158678 /nfs/dbraw/zinc/15/86/78/1034158678.db2.gz LZAFMVQJBVHNBA-PKTZIBPZSA-N 2 1 395.591 3.669 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193365 1034163281 /nfs/dbraw/zinc/16/32/81/1034163281.db2.gz ACPLLICHWUAHRB-PMACEKPBSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193365 1034163290 /nfs/dbraw/zinc/16/32/90/1034163290.db2.gz ACPLLICHWUAHRB-PMACEKPBSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193365 1034163298 /nfs/dbraw/zinc/16/32/98/1034163298.db2.gz ACPLLICHWUAHRB-PMACEKPBSA-N 2 1 379.589 3.972 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)C1CCCCC1 ZINC001230687120 1034180933 /nfs/dbraw/zinc/18/09/33/1034180933.db2.gz VMZZDIULAGSIJL-UHFFFAOYSA-N 2 1 380.621 3.795 20 0 GHADMP Cc1noc(C)c1CN1CCCC12CC[NH+](CCOCc1ccccc1)CC2 ZINC001207231079 1034197631 /nfs/dbraw/zinc/19/76/31/1034197631.db2.gz KEHSIFFNNBPXFQ-UHFFFAOYSA-N 2 1 383.536 3.939 20 0 GHADMP CCOC[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2cn(CC)nc21 ZINC001207290568 1034242318 /nfs/dbraw/zinc/24/23/18/1034242318.db2.gz DEKIIJBVMPDQPQ-QHCPKHFHSA-N 2 1 396.579 3.751 20 0 GHADMP COc1cccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001207427189 1034364538 /nfs/dbraw/zinc/36/45/38/1034364538.db2.gz JVNYDTOBJLLPIS-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001207427189 1034364549 /nfs/dbraw/zinc/36/45/49/1034364549.db2.gz JVNYDTOBJLLPIS-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001207427189 1034364561 /nfs/dbraw/zinc/36/45/61/1034364561.db2.gz JVNYDTOBJLLPIS-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001207427189 1034364573 /nfs/dbraw/zinc/36/45/73/1034364573.db2.gz JVNYDTOBJLLPIS-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC[NH2+]CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC001207437247 1034369464 /nfs/dbraw/zinc/36/94/64/1034369464.db2.gz GHFJRXILKFDLCT-LJQANCHMSA-N 2 1 393.959 3.933 20 0 GHADMP Fc1ccccc1CCN1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001207498873 1034403364 /nfs/dbraw/zinc/40/33/64/1034403364.db2.gz BMTSSVQLRIFFJP-OAQYLSRUSA-N 2 1 389.465 3.997 20 0 GHADMP Fc1ccccc1CCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001207497954 1034403480 /nfs/dbraw/zinc/40/34/80/1034403480.db2.gz FJJZJGYPFHONKO-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccccc1CC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001207497954 1034403486 /nfs/dbraw/zinc/40/34/86/1034403486.db2.gz FJJZJGYPFHONKO-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccccc1CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001207497954 1034403497 /nfs/dbraw/zinc/40/34/97/1034403497.db2.gz FJJZJGYPFHONKO-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccccc1CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001207497954 1034403502 /nfs/dbraw/zinc/40/35/02/1034403502.db2.gz FJJZJGYPFHONKO-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccccc1CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001207497954 1034403506 /nfs/dbraw/zinc/40/35/06/1034403506.db2.gz FJJZJGYPFHONKO-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001231264255 1034492895 /nfs/dbraw/zinc/49/28/95/1034492895.db2.gz VEZJBPBXAWHPOY-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001231264255 1034492902 /nfs/dbraw/zinc/49/29/02/1034492902.db2.gz VEZJBPBXAWHPOY-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001231264255 1034492908 /nfs/dbraw/zinc/49/29/08/1034492908.db2.gz VEZJBPBXAWHPOY-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC001207635311 1034501918 /nfs/dbraw/zinc/50/19/18/1034501918.db2.gz NFFOTHBGRZALFT-OTWHNJEPSA-N 2 1 389.584 3.652 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC[C@H](C)CCCC(C)(C)O)C2 ZINC001207638549 1034503353 /nfs/dbraw/zinc/50/33/53/1034503353.db2.gz DESNJHDJPOMNBF-NWSQWKLXSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC[C@H](C)CCCC(C)(C)O)C2 ZINC001207638549 1034503366 /nfs/dbraw/zinc/50/33/66/1034503366.db2.gz DESNJHDJPOMNBF-NWSQWKLXSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC[C@H](C)CCCC(C)(C)O)C2 ZINC001207638549 1034503374 /nfs/dbraw/zinc/50/33/74/1034503374.db2.gz DESNJHDJPOMNBF-NWSQWKLXSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC[C@@H](C)CCCC(C)(C)O)C2 ZINC001207648495 1034508149 /nfs/dbraw/zinc/50/81/49/1034508149.db2.gz DESNJHDJPOMNBF-WPYKKVEZSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC[C@@H](C)CCCC(C)(C)O)C2 ZINC001207648495 1034508159 /nfs/dbraw/zinc/50/81/59/1034508159.db2.gz DESNJHDJPOMNBF-WPYKKVEZSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC[C@@H](C)CCCC(C)(C)O)C2 ZINC001207648495 1034508171 /nfs/dbraw/zinc/50/81/71/1034508171.db2.gz DESNJHDJPOMNBF-WPYKKVEZSA-N 2 1 380.617 3.634 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001207648666 1034508875 /nfs/dbraw/zinc/50/88/75/1034508875.db2.gz HHHXXNSZRWYEBF-HXUWFJFHSA-N 2 1 390.616 3.818 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001207648666 1034508889 /nfs/dbraw/zinc/50/88/89/1034508889.db2.gz HHHXXNSZRWYEBF-HXUWFJFHSA-N 2 1 390.616 3.818 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1OC(=O)C(C)C ZINC001231528144 1034681992 /nfs/dbraw/zinc/68/19/92/1034681992.db2.gz AOHZEGKUHIOLDC-UHFFFAOYSA-N 2 1 376.541 3.809 20 0 GHADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276560071 1034764562 /nfs/dbraw/zinc/76/45/62/1034764562.db2.gz UNCJCFPRPRVMAY-FQEVSTJZSA-N 2 1 398.378 3.820 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)C1 ZINC001208163275 1034767021 /nfs/dbraw/zinc/76/70/21/1034767021.db2.gz UDQJXWXFEFAUGA-IEBWSBKVSA-N 2 1 376.541 3.821 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)C1 ZINC001208163275 1034767028 /nfs/dbraw/zinc/76/70/28/1034767028.db2.gz UDQJXWXFEFAUGA-IEBWSBKVSA-N 2 1 376.541 3.821 20 0 GHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OCCCOC)c2)CC1 ZINC001231615987 1034771277 /nfs/dbraw/zinc/77/12/77/1034771277.db2.gz UALSGEDRZMJFBP-UHFFFAOYSA-N 2 1 378.557 3.807 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OCCCOC)c2)CC1 ZINC001231615987 1034771290 /nfs/dbraw/zinc/77/12/90/1034771290.db2.gz UALSGEDRZMJFBP-UHFFFAOYSA-N 2 1 378.557 3.807 20 0 GHADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001208179693 1034776901 /nfs/dbraw/zinc/77/69/01/1034776901.db2.gz ZZLRPBOWIXCZOE-FYYLOGMGSA-N 2 1 383.580 3.988 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC[C@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208652 1034800367 /nfs/dbraw/zinc/80/03/67/1034800367.db2.gz DIAKIVQSRNZNBH-UXHICEINSA-N 2 1 396.616 3.957 20 0 GHADMP CCN(CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578309 1034937720 /nfs/dbraw/zinc/93/77/20/1034937720.db2.gz SXJICIWIPSADQD-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578309 1034937726 /nfs/dbraw/zinc/93/77/26/1034937726.db2.gz SXJICIWIPSADQD-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578309 1034937732 /nfs/dbraw/zinc/93/77/32/1034937732.db2.gz SXJICIWIPSADQD-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578309 1034937737 /nfs/dbraw/zinc/93/77/37/1034937737.db2.gz SXJICIWIPSADQD-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578309 1034937740 /nfs/dbraw/zinc/93/77/40/1034937740.db2.gz SXJICIWIPSADQD-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001208592052 1034946562 /nfs/dbraw/zinc/94/65/62/1034946562.db2.gz CAFSLSLRUIEDQE-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C1 ZINC001208609218 1034952864 /nfs/dbraw/zinc/95/28/64/1034952864.db2.gz ZHHKDWVANPFHLV-ARNLJNQMSA-N 2 1 393.575 3.873 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C1 ZINC001208609218 1034952874 /nfs/dbraw/zinc/95/28/74/1034952874.db2.gz ZHHKDWVANPFHLV-ARNLJNQMSA-N 2 1 393.575 3.873 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)c1-c1ccccc1 ZINC001208616110 1034955380 /nfs/dbraw/zinc/95/53/80/1034955380.db2.gz ZCZKMWDQYUOKHD-IEBWSBKVSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)c1-c1ccccc1 ZINC001208616110 1034955385 /nfs/dbraw/zinc/95/53/85/1034955385.db2.gz ZCZKMWDQYUOKHD-IEBWSBKVSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)c1-c1ccccc1 ZINC001208616110 1034955387 /nfs/dbraw/zinc/95/53/87/1034955387.db2.gz ZCZKMWDQYUOKHD-IEBWSBKVSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)c1-c1ccccc1 ZINC001208616107 1034955467 /nfs/dbraw/zinc/95/54/67/1034955467.db2.gz ZCZKMWDQYUOKHD-HKUYNNGSSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)c1-c1ccccc1 ZINC001208616107 1034955473 /nfs/dbraw/zinc/95/54/73/1034955473.db2.gz ZCZKMWDQYUOKHD-HKUYNNGSSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)c1-c1ccccc1 ZINC001208616107 1034955476 /nfs/dbraw/zinc/95/54/76/1034955476.db2.gz ZCZKMWDQYUOKHD-HKUYNNGSSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)N1CCC(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001208677910 1034979074 /nfs/dbraw/zinc/97/90/74/1034979074.db2.gz PBNHZFLBYOSAOH-NNWRFLSQSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001208677910 1034979079 /nfs/dbraw/zinc/97/90/79/1034979079.db2.gz PBNHZFLBYOSAOH-NNWRFLSQSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001208677910 1034979085 /nfs/dbraw/zinc/97/90/85/1034979085.db2.gz PBNHZFLBYOSAOH-NNWRFLSQSA-N 2 1 389.609 3.539 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231970227 1035015681 /nfs/dbraw/zinc/01/56/81/1035015681.db2.gz FZQLNMZPHOFBJC-LJQANCHMSA-N 2 1 396.560 3.880 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001208795587 1035026168 /nfs/dbraw/zinc/02/61/68/1035026168.db2.gz NLCVQTPSEQXSHX-UHFFFAOYSA-N 2 1 394.563 3.794 20 0 GHADMP CC1(C)[C@H](C(=O)N(Cc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC001160682119 1035034226 /nfs/dbraw/zinc/03/42/26/1035034226.db2.gz DHWJPDHFVBITPC-VABKMULXSA-N 2 1 391.559 3.663 20 0 GHADMP [NH3+][C@@H](CC1CCC1)C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160684410 1035035246 /nfs/dbraw/zinc/03/52/46/1035035246.db2.gz ULKULGHEXGYWES-RPWUZVMVSA-N 2 1 391.559 3.807 20 0 GHADMP c1c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013914 1035043886 /nfs/dbraw/zinc/04/38/86/1035043886.db2.gz VNDIUGSENAMUGA-NZQKXSOJSA-N 2 1 392.503 3.546 20 0 GHADMP c1c(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013914 1035043896 /nfs/dbraw/zinc/04/38/96/1035043896.db2.gz VNDIUGSENAMUGA-NZQKXSOJSA-N 2 1 392.503 3.546 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015045 1035046064 /nfs/dbraw/zinc/04/60/64/1035046064.db2.gz QWTVPIRLQYWSIU-HSZRJFAPSA-N 2 1 392.478 3.717 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3C[C@@H]3CCC[NH+](Cc4ccccc4)C3)O2)n1 ZINC001208935151 1035100440 /nfs/dbraw/zinc/10/04/40/1035100440.db2.gz JJDBVKGBPYCMCT-GXRSIYKFSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)O2)n1 ZINC001208935151 1035100449 /nfs/dbraw/zinc/10/04/49/1035100449.db2.gz JJDBVKGBPYCMCT-GXRSIYKFSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)O2)n1 ZINC001208935151 1035100455 /nfs/dbraw/zinc/10/04/55/1035100455.db2.gz JJDBVKGBPYCMCT-GXRSIYKFSA-N 2 1 396.535 3.585 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208937745 1035104557 /nfs/dbraw/zinc/10/45/57/1035104557.db2.gz SSIXOLHUSLDOTA-NRFANRHFSA-N 2 1 394.563 3.577 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208937745 1035104559 /nfs/dbraw/zinc/10/45/59/1035104559.db2.gz SSIXOLHUSLDOTA-NRFANRHFSA-N 2 1 394.563 3.577 20 0 GHADMP CC(C)Oc1ncnc2c1CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208937745 1035104561 /nfs/dbraw/zinc/10/45/61/1035104561.db2.gz SSIXOLHUSLDOTA-NRFANRHFSA-N 2 1 394.563 3.577 20 0 GHADMP CC(C)Oc1ncnc2c1CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208937745 1035104567 /nfs/dbraw/zinc/10/45/67/1035104567.db2.gz SSIXOLHUSLDOTA-NRFANRHFSA-N 2 1 394.563 3.577 20 0 GHADMP O=C1[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2CN1c1ccsc1 ZINC001208937908 1035104725 /nfs/dbraw/zinc/10/47/25/1035104725.db2.gz YFWDVDVKWKBBNQ-URVUXULASA-N 2 1 395.572 3.555 20 0 GHADMP O=C1[C@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2CN1c1ccsc1 ZINC001208937908 1035104732 /nfs/dbraw/zinc/10/47/32/1035104732.db2.gz YFWDVDVKWKBBNQ-URVUXULASA-N 2 1 395.572 3.555 20 0 GHADMP O=C1[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2CN1c1ccsc1 ZINC001208937908 1035104736 /nfs/dbraw/zinc/10/47/36/1035104736.db2.gz YFWDVDVKWKBBNQ-URVUXULASA-N 2 1 395.572 3.555 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)ccc1OCc1ccccc1 ZINC001232118201 1035105289 /nfs/dbraw/zinc/10/52/89/1035105289.db2.gz OSPSGRXAQCDUPX-XZOQPEGZSA-N 2 1 397.538 3.615 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939085 1035107479 /nfs/dbraw/zinc/10/74/79/1035107479.db2.gz BPSRZYASTWDXEK-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939085 1035107483 /nfs/dbraw/zinc/10/74/83/1035107483.db2.gz BPSRZYASTWDXEK-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939085 1035107487 /nfs/dbraw/zinc/10/74/87/1035107487.db2.gz BPSRZYASTWDXEK-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939085 1035107491 /nfs/dbraw/zinc/10/74/91/1035107491.db2.gz BPSRZYASTWDXEK-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208943903 1035113485 /nfs/dbraw/zinc/11/34/85/1035113485.db2.gz WMIQWBVVSZCVRY-QPPBQGQZSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943903 1035113488 /nfs/dbraw/zinc/11/34/88/1035113488.db2.gz WMIQWBVVSZCVRY-QPPBQGQZSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943903 1035113492 /nfs/dbraw/zinc/11/34/92/1035113492.db2.gz WMIQWBVVSZCVRY-QPPBQGQZSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208943234 1035113593 /nfs/dbraw/zinc/11/35/93/1035113593.db2.gz SGYMJQSWNYSVDH-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208943234 1035113599 /nfs/dbraw/zinc/11/35/99/1035113599.db2.gz SGYMJQSWNYSVDH-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208943234 1035113605 /nfs/dbraw/zinc/11/36/05/1035113605.db2.gz SGYMJQSWNYSVDH-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947876 1035119100 /nfs/dbraw/zinc/11/91/00/1035119100.db2.gz MZNRXCCLHAQCBJ-QPTUXGOLSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947876 1035119104 /nfs/dbraw/zinc/11/91/04/1035119104.db2.gz MZNRXCCLHAQCBJ-QPTUXGOLSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947876 1035119111 /nfs/dbraw/zinc/11/91/11/1035119111.db2.gz MZNRXCCLHAQCBJ-QPTUXGOLSA-N 2 1 392.543 3.787 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948975 1035120367 /nfs/dbraw/zinc/12/03/67/1035120367.db2.gz USPGVCOVIFONKG-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948975 1035120372 /nfs/dbraw/zinc/12/03/72/1035120372.db2.gz USPGVCOVIFONKG-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948975 1035120377 /nfs/dbraw/zinc/12/03/77/1035120377.db2.gz USPGVCOVIFONKG-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001232144183 1035121960 /nfs/dbraw/zinc/12/19/60/1035121960.db2.gz GYJPVHJZWYJPNS-UYAOXDASSA-N 2 1 391.531 3.719 20 0 GHADMP O=C1Nc2ccccc2C2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208951573 1035124477 /nfs/dbraw/zinc/12/44/77/1035124477.db2.gz DCIGUORXAITDGV-HXUWFJFHSA-N 2 1 390.531 3.635 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001232146932 1035125368 /nfs/dbraw/zinc/12/53/68/1035125368.db2.gz AUESSYFYQICDNY-UHFFFAOYSA-N 2 1 393.547 3.966 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952551 1035125411 /nfs/dbraw/zinc/12/54/11/1035125411.db2.gz KNIUDCFXPVBNMG-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952551 1035125413 /nfs/dbraw/zinc/12/54/13/1035125413.db2.gz KNIUDCFXPVBNMG-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952551 1035125417 /nfs/dbraw/zinc/12/54/17/1035125417.db2.gz KNIUDCFXPVBNMG-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208952535 1035125549 /nfs/dbraw/zinc/12/55/49/1035125549.db2.gz KDASLHNHYRGYKK-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952535 1035125555 /nfs/dbraw/zinc/12/55/55/1035125555.db2.gz KDASLHNHYRGYKK-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952535 1035125561 /nfs/dbraw/zinc/12/55/61/1035125561.db2.gz KDASLHNHYRGYKK-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP c1csc(C[NH+]2CC[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125956 /nfs/dbraw/zinc/12/59/56/1035125956.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(C[N@H+]2CC[C@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125960 /nfs/dbraw/zinc/12/59/60/1035125960.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(C[N@@H+]2CC[C@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125964 /nfs/dbraw/zinc/12/59/64/1035125964.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125968 /nfs/dbraw/zinc/12/59/68/1035125968.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125972 /nfs/dbraw/zinc/12/59/72/1035125972.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@H]3C[N@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125976 /nfs/dbraw/zinc/12/59/76/1035125976.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@H]3C[N@@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953141 1035125981 /nfs/dbraw/zinc/12/59/81/1035125981.db2.gz YSIWXDZVESOBBQ-FDFHNCONSA-N 2 1 396.604 3.561 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c1 ZINC001232150975 1035129333 /nfs/dbraw/zinc/12/93/33/1035129333.db2.gz JIRXVNDDXBVPIE-NRFANRHFSA-N 2 1 396.510 3.899 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c1 ZINC001232150975 1035129341 /nfs/dbraw/zinc/12/93/41/1035129341.db2.gz JIRXVNDDXBVPIE-NRFANRHFSA-N 2 1 396.510 3.899 20 0 GHADMP CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062908 1035129675 /nfs/dbraw/zinc/12/96/75/1035129675.db2.gz LAJBTABSSGOXMU-ONCXSQPRSA-N 2 1 393.522 3.507 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208963532 1035133603 /nfs/dbraw/zinc/13/36/03/1035133603.db2.gz OOUUOSKTNFTKTF-ZEQRLZLVSA-N 2 1 392.543 3.964 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208963532 1035133610 /nfs/dbraw/zinc/13/36/10/1035133610.db2.gz OOUUOSKTNFTKTF-ZEQRLZLVSA-N 2 1 392.543 3.964 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208963532 1035133616 /nfs/dbraw/zinc/13/36/16/1035133616.db2.gz OOUUOSKTNFTKTF-ZEQRLZLVSA-N 2 1 392.543 3.964 20 0 GHADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC001209104291 1035174744 /nfs/dbraw/zinc/17/47/44/1035174744.db2.gz ZXHRGZCXUWZRII-UHFFFAOYSA-N 2 1 376.516 3.655 20 0 GHADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC001209104291 1035174749 /nfs/dbraw/zinc/17/47/49/1035174749.db2.gz ZXHRGZCXUWZRII-UHFFFAOYSA-N 2 1 376.516 3.655 20 0 GHADMP c1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n(Cc2ccccc2)c1 ZINC001232234622 1035175689 /nfs/dbraw/zinc/17/56/89/1035175689.db2.gz WCCKUPPYIDVDSN-RPWUZVMVSA-N 2 1 386.543 3.885 20 0 GHADMP c1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n(Cc2ccccc2)c1 ZINC001232234622 1035175691 /nfs/dbraw/zinc/17/56/91/1035175691.db2.gz WCCKUPPYIDVDSN-RPWUZVMVSA-N 2 1 386.543 3.885 20 0 GHADMP c1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)n(Cc2ccccc2)c1 ZINC001232234622 1035175696 /nfs/dbraw/zinc/17/56/96/1035175696.db2.gz WCCKUPPYIDVDSN-RPWUZVMVSA-N 2 1 386.543 3.885 20 0 GHADMP c1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)n(Cc2ccccc2)c1 ZINC001232234622 1035175698 /nfs/dbraw/zinc/17/56/98/1035175698.db2.gz WCCKUPPYIDVDSN-RPWUZVMVSA-N 2 1 386.543 3.885 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209136911 1035188798 /nfs/dbraw/zinc/18/87/98/1035188798.db2.gz QJNVNLHCNRWHGU-OYRHEFFESA-N 2 1 387.568 3.616 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209136911 1035188802 /nfs/dbraw/zinc/18/88/02/1035188802.db2.gz QJNVNLHCNRWHGU-OYRHEFFESA-N 2 1 387.568 3.616 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCCN(C)C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209136911 1035188805 /nfs/dbraw/zinc/18/88/05/1035188805.db2.gz QJNVNLHCNRWHGU-OYRHEFFESA-N 2 1 387.568 3.616 20 0 GHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001161412628 1035225713 /nfs/dbraw/zinc/22/57/13/1035225713.db2.gz DYMFRKZOTCQSQT-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001161412628 1035225720 /nfs/dbraw/zinc/22/57/20/1035225720.db2.gz DYMFRKZOTCQSQT-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](Nc3ncnc4c3C[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458652 1035235378 /nfs/dbraw/zinc/23/53/78/1035235378.db2.gz XXDFTBOFHBFOEI-YADHBBJMSA-N 2 1 385.515 3.550 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3ncnc4c3C[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458652 1035235380 /nfs/dbraw/zinc/23/53/80/1035235380.db2.gz XXDFTBOFHBFOEI-YADHBBJMSA-N 2 1 385.515 3.550 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3cc(C4C[NH2+]C4)ncn3)[C@@H](c3ccccc3)C2)cc1 ZINC001161463228 1035236301 /nfs/dbraw/zinc/23/63/01/1035236301.db2.gz TZCKSROHOAULGF-PKTZIBPZSA-N 2 1 399.542 3.634 20 0 GHADMP c1ccc2c(c1)CC(C[NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001209321914 1035242754 /nfs/dbraw/zinc/24/27/54/1035242754.db2.gz WHLISRPPVFSYFJ-FTJBHMTQSA-N 2 1 394.603 3.862 20 0 GHADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001209321914 1035242762 /nfs/dbraw/zinc/24/27/62/1035242762.db2.gz WHLISRPPVFSYFJ-FTJBHMTQSA-N 2 1 394.603 3.862 20 0 GHADMP c1ccc2c(c1)CC(C[N@@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001209321914 1035242766 /nfs/dbraw/zinc/24/27/66/1035242766.db2.gz WHLISRPPVFSYFJ-FTJBHMTQSA-N 2 1 394.603 3.862 20 0 GHADMP CC(C)[N@@H+](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC001209341729 1035245816 /nfs/dbraw/zinc/24/58/16/1035245816.db2.gz IMYBIPBOCLYTOT-UHFFFAOYSA-N 2 1 399.576 3.963 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc4cc[nH]c4c3)O2)CC1 ZINC001209510514 1035297566 /nfs/dbraw/zinc/29/75/66/1035297566.db2.gz JTVXUMSHLDNGIR-GMKZXUHWSA-N 2 1 397.563 3.648 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209588207 1035319936 /nfs/dbraw/zinc/31/99/36/1035319936.db2.gz QDZGBRMKQWQGOD-OFAXGOBFSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209588207 1035319940 /nfs/dbraw/zinc/31/99/40/1035319940.db2.gz QDZGBRMKQWQGOD-OFAXGOBFSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209588207 1035319947 /nfs/dbraw/zinc/31/99/47/1035319947.db2.gz QDZGBRMKQWQGOD-OFAXGOBFSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209588207 1035319951 /nfs/dbraw/zinc/31/99/51/1035319951.db2.gz QDZGBRMKQWQGOD-OFAXGOBFSA-N 2 1 389.547 3.999 20 0 GHADMP CCc1cc(Br)ccc1-c1noc([C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001248194829 1035624664 /nfs/dbraw/zinc/62/46/64/1035624664.db2.gz OIDUJHODURZMHN-HNNXBMFYSA-N 2 1 381.318 3.793 20 0 GHADMP C[C@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462012536 1069944663 /nfs/dbraw/zinc/94/46/63/1069944663.db2.gz JBSHNJCYMQQORM-SIKLNZKXSA-N 2 1 393.531 3.508 20 0 GHADMP C[C@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462012536 1069944669 /nfs/dbraw/zinc/94/46/69/1069944669.db2.gz JBSHNJCYMQQORM-SIKLNZKXSA-N 2 1 393.531 3.508 20 0 GHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(CC3(C[NH3+])CCCCC3)n2)c1 ZINC001248299061 1035737181 /nfs/dbraw/zinc/73/71/81/1035737181.db2.gz SUGWNVGSRYDDBL-UHFFFAOYSA-N 2 1 393.491 3.576 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3ccc(CN4CC[NH2+]CC4)cc3)c(C)c2)CC1 ZINC001241977441 1035772643 /nfs/dbraw/zinc/77/26/43/1035772643.db2.gz PWDHUORJSSHXCK-UHFFFAOYSA-N 2 1 376.548 3.571 20 0 GHADMP C[C@H]([NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462014685 1069946361 /nfs/dbraw/zinc/94/63/61/1069946361.db2.gz RCQSHBYTHFCPKN-ZYYOCFFZSA-N 2 1 399.579 3.932 20 0 GHADMP Brc1nc2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2s1 ZINC001248578107 1035968889 /nfs/dbraw/zinc/96/88/89/1035968889.db2.gz XNKRKHIXKXPNHD-UHFFFAOYSA-N 2 1 389.322 3.776 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001248622148 1035997024 /nfs/dbraw/zinc/99/70/24/1035997024.db2.gz RNNGOLCJPTUCKM-IBGZPJMESA-N 2 1 394.991 3.849 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2cc(Cl)ccc2Br)no1 ZINC001248896155 1036226558 /nfs/dbraw/zinc/22/65/58/1036226558.db2.gz MJWUSPICJNMUMP-CYBMUJFWSA-N 2 1 385.693 3.542 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001462122565 1070013737 /nfs/dbraw/zinc/01/37/37/1070013737.db2.gz MZBRYKARPDRHGP-QDSKXPNFSA-N 2 1 393.575 3.954 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(C4=CC[C@@H]([NH+]5CCOCC5)CC4)ccc3C2)cc1 ZINC001245420084 1036915919 /nfs/dbraw/zinc/91/59/19/1036915919.db2.gz SAVIUIQPHDGORL-HSZRJFAPSA-N 2 1 389.543 3.908 20 0 GHADMP C[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)C(c1ccccc1)c1ccccc1 ZINC001246015169 1037133808 /nfs/dbraw/zinc/13/38/08/1037133808.db2.gz UMYXGNHZQVMGQE-XZOQPEGZSA-N 2 1 396.481 3.917 20 0 GHADMP O[C@@H](C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC001246031975 1037149142 /nfs/dbraw/zinc/14/91/42/1037149142.db2.gz XCZAGUOTUSJJCA-DQEYMECFSA-N 2 1 398.550 3.868 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052493 1037165349 /nfs/dbraw/zinc/16/53/49/1037165349.db2.gz MWHCMTVGBIOISI-JQVVWYNYSA-N 2 1 378.988 3.981 20 0 GHADMP COc1cccc(OC[C@H](O)C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246063628 1037174657 /nfs/dbraw/zinc/17/46/57/1037174657.db2.gz APVGWOVGKDRLGE-NJDAHSKKSA-N 2 1 390.568 3.587 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H](O)COc2cccc(F)c2)CC2CCCCC2)CC1 ZINC001246063658 1037175139 /nfs/dbraw/zinc/17/51/39/1037175139.db2.gz BKDVNJZABMXXKR-ACRUOGEOSA-N 2 1 378.532 3.718 20 0 GHADMP C[N@H+](C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246062428 1037175451 /nfs/dbraw/zinc/17/54/51/1037175451.db2.gz LCIDGQQPANSGAY-HDAAZOAOSA-N 2 1 389.326 3.748 20 0 GHADMP C[N@@H+](C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246062428 1037175456 /nfs/dbraw/zinc/17/54/56/1037175456.db2.gz LCIDGQQPANSGAY-HDAAZOAOSA-N 2 1 389.326 3.748 20 0 GHADMP CCOC(=O)C1CCC(O)(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246066785 1037179423 /nfs/dbraw/zinc/17/94/23/1037179423.db2.gz MRJQYNHYVDNDRC-TZJVRLDRSA-N 2 1 394.600 3.623 20 0 GHADMP COc1cccc(OC[C@H](O)C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246067901 1037180780 /nfs/dbraw/zinc/18/07/80/1037180780.db2.gz QBQJHUQIXLFXDZ-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246069597 1037183046 /nfs/dbraw/zinc/18/30/46/1037183046.db2.gz KSKVGBPQBZMREC-IEBWSBKVSA-N 2 1 393.531 3.525 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+]CC3CC[NH+](Cc4ccccc4)CC3)CCN2)cc1 ZINC001246170583 1037222901 /nfs/dbraw/zinc/22/29/01/1037222901.db2.gz MCXVZIHROMHXCV-JWQCQUIFSA-N 2 1 377.576 3.852 20 0 GHADMP Brc1ccc(C2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246186184 1037227404 /nfs/dbraw/zinc/22/74/04/1037227404.db2.gz XGSCRFXMTHNZKI-RBUKOAKNSA-N 2 1 392.385 3.540 20 0 GHADMP Ic1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246194706 1037232421 /nfs/dbraw/zinc/23/24/21/1037232421.db2.gz SXZKRIDHEJRJAM-ZWKOTPCHSA-N 2 1 392.284 3.874 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn(C2CCC3(CCC[NH2+]C3)CC2)c2ccccc12 ZINC001246197850 1037233285 /nfs/dbraw/zinc/23/32/85/1037233285.db2.gz LSKUXHNGZKGQQX-WRSRUZKNSA-N 2 1 383.536 3.559 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC001246252274 1037255521 /nfs/dbraw/zinc/25/55/21/1037255521.db2.gz AKEWFUYEVDZNCZ-IFMALSPDSA-N 2 1 382.504 3.602 20 0 GHADMP COC(=O)C[C@H]([NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256482 1037256947 /nfs/dbraw/zinc/25/69/47/1037256947.db2.gz POAWKGGNDWFJTL-PNCHPQGNSA-N 2 1 396.531 3.988 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC[NH2+]1 ZINC001246271335 1037267336 /nfs/dbraw/zinc/26/73/36/1037267336.db2.gz GWKYHMCJOPXNNK-BHIFYINESA-N 2 1 385.596 3.803 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001246339791 1037302686 /nfs/dbraw/zinc/30/26/86/1037302686.db2.gz CDCZZIYYLJJCBX-HSZRJFAPSA-N 3 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)CCN1Cc1ccccc1 ZINC001246339791 1037302711 /nfs/dbraw/zinc/30/27/11/1037302711.db2.gz CDCZZIYYLJJCBX-HSZRJFAPSA-N 2 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@H](NCc2cccc(N3CC[NH2+]CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001246339791 1037302726 /nfs/dbraw/zinc/30/27/26/1037302726.db2.gz CDCZZIYYLJJCBX-HSZRJFAPSA-N 2 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@H](NCc2cccc(N3CC[NH2+]CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001246339791 1037302755 /nfs/dbraw/zinc/30/27/55/1037302755.db2.gz CDCZZIYYLJJCBX-HSZRJFAPSA-N 2 1 392.591 3.629 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1 ZINC001246343653 1037305575 /nfs/dbraw/zinc/30/55/75/1037305575.db2.gz GNCGAEQQNYMHNB-IFMALSPDSA-N 2 1 384.495 3.823 20 0 GHADMP CC(C)[C@H]1C[C@H](n2cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc32)CC[NH2+]1 ZINC001246348597 1037308778 /nfs/dbraw/zinc/30/87/78/1037308778.db2.gz CVXZYVGVTKPBFI-YZGWKJHDSA-N 2 1 385.552 3.802 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+]C3C[C@@H](C)[NH2+][C@H](C)C3)ccc12 ZINC001246353918 1037313203 /nfs/dbraw/zinc/31/32/03/1037313203.db2.gz WLMVTVPMRFDBSW-QINHECLXSA-N 2 1 399.535 3.573 20 0 GHADMP OCC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc(Br)c1 ZINC001246360357 1037319361 /nfs/dbraw/zinc/31/93/61/1037319361.db2.gz XWNRSMRYVIBUBI-ZWKOTPCHSA-N 2 1 381.358 3.917 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)c1 ZINC001246372055 1037328612 /nfs/dbraw/zinc/32/86/12/1037328612.db2.gz BUOGXMYREMMQMC-UNMCSNQZSA-N 2 1 384.495 3.823 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(c3ccccc3OC)CC[NH2+]CC2)cc1 ZINC001246375704 1037331665 /nfs/dbraw/zinc/33/16/65/1037331665.db2.gz JHTCIVXKMHWPAV-SFHVURJKSA-N 2 1 396.531 3.671 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CCOCC3)c(OC)c2)CC[NH2+]1 ZINC001246385994 1037346290 /nfs/dbraw/zinc/34/62/90/1037346290.db2.gz GXMTXVXTUHQPKH-SFTDATJTSA-N 2 1 390.568 3.901 20 0 GHADMP COc1cccc(C2(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246414876 1037370128 /nfs/dbraw/zinc/37/01/28/1037370128.db2.gz JVRCQYVVTLLTSM-KNQAVFIVSA-N 2 1 379.548 3.527 20 0 GHADMP Clc1cccc(CC2(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246428202 1037387059 /nfs/dbraw/zinc/38/70/59/1037387059.db2.gz KSRSKJIBSXLUAP-QFIPXVFZSA-N 2 1 383.967 3.869 20 0 GHADMP Clc1cccc(CC2([NH2+][C@H]3CCN(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246428202 1037387076 /nfs/dbraw/zinc/38/70/76/1037387076.db2.gz KSRSKJIBSXLUAP-QFIPXVFZSA-N 2 1 383.967 3.869 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(Br)cc2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246441876 1037404091 /nfs/dbraw/zinc/40/40/91/1037404091.db2.gz KSMGMDBLUJBXCU-FHWLQOOXSA-N 3 1 380.374 3.663 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246441876 1037404108 /nfs/dbraw/zinc/40/41/08/1037404108.db2.gz KSMGMDBLUJBXCU-FHWLQOOXSA-N 3 1 380.374 3.663 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC[NH2+]1 ZINC001246494408 1037438853 /nfs/dbraw/zinc/43/88/53/1037438853.db2.gz YQPSSHUVSKXZPL-ACRUOGEOSA-N 2 1 391.625 3.844 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246505373 1037445263 /nfs/dbraw/zinc/44/52/63/1037445263.db2.gz VHFBUJPYBWESEA-OCFYOKIWSA-N 2 1 377.576 3.850 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246505373 1037445277 /nfs/dbraw/zinc/44/52/77/1037445277.db2.gz VHFBUJPYBWESEA-OCFYOKIWSA-N 2 1 377.576 3.850 20 0 GHADMP COc1cccc([C@@H](C[NH3+])NC2CCC(C3CCC4(CC3)OCCO4)CC2)c1 ZINC001246510346 1037449998 /nfs/dbraw/zinc/44/99/98/1037449998.db2.gz KXXZXFUISQYSHO-INXVGGANSA-N 2 1 388.552 3.777 20 0 GHADMP C[C@H]1CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CC[C@H]1C[NH3+] ZINC001246557887 1037480740 /nfs/dbraw/zinc/48/07/40/1037480740.db2.gz LQZPHTYVYGBBCF-HOTGVXAUSA-N 2 1 380.374 3.725 20 0 GHADMP COc1cccc(C(=O)C2CC[NH+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246593638 1037493675 /nfs/dbraw/zinc/49/36/75/1037493675.db2.gz JDECLQSPNWCJRA-XZOQPEGZSA-N 2 1 392.543 3.953 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@@H](C)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001246603819 1037499315 /nfs/dbraw/zinc/49/93/15/1037499315.db2.gz OSUVIGDRVXHSTG-KSSFIOAISA-N 2 1 399.362 3.932 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H](C)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001246603819 1037499330 /nfs/dbraw/zinc/49/93/30/1037499330.db2.gz OSUVIGDRVXHSTG-KSSFIOAISA-N 2 1 399.362 3.932 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001462189569 1070067950 /nfs/dbraw/zinc/06/79/50/1070067950.db2.gz CGXXOTLDXBNHPQ-INIZCTEOSA-N 2 1 375.454 3.692 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCC23CC[NH2+]CC3)CC1 ZINC001246646855 1037525803 /nfs/dbraw/zinc/52/58/03/1037525803.db2.gz QPIWFVPWCYZLAI-UHFFFAOYSA-N 2 1 390.955 3.911 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246650075 1037526487 /nfs/dbraw/zinc/52/64/87/1037526487.db2.gz GTYZTFHPBKPJIC-CPJSRVTESA-N 2 1 391.559 3.541 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246650075 1037526506 /nfs/dbraw/zinc/52/65/06/1037526506.db2.gz GTYZTFHPBKPJIC-CPJSRVTESA-N 2 1 391.559 3.541 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]1 ZINC001246708411 1037562559 /nfs/dbraw/zinc/56/25/59/1037562559.db2.gz JUBMNYALSMCFLQ-ZZLPTCMGSA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]1 ZINC001246708411 1037562571 /nfs/dbraw/zinc/56/25/71/1037562571.db2.gz JUBMNYALSMCFLQ-ZZLPTCMGSA-N 2 1 387.568 3.642 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246714958 1037568509 /nfs/dbraw/zinc/56/85/09/1037568509.db2.gz AAESOLUUEWNKFI-SCDRESIJSA-N 2 1 385.596 3.975 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246714958 1037568527 /nfs/dbraw/zinc/56/85/27/1037568527.db2.gz AAESOLUUEWNKFI-SCDRESIJSA-N 2 1 385.596 3.975 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC[NH2+]1 ZINC001246723216 1037572525 /nfs/dbraw/zinc/57/25/25/1037572525.db2.gz WPMMCIYAASNVJZ-PMACEKPBSA-N 2 1 382.527 3.994 20 0 GHADMP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246739085 1037582333 /nfs/dbraw/zinc/58/23/33/1037582333.db2.gz NHDVMVICXUVUDW-UPVQGACJSA-N 2 1 391.563 3.530 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246757699 1037599559 /nfs/dbraw/zinc/59/95/59/1037599559.db2.gz MPXGIBWICHPNHE-OQRYQMPQSA-N 2 1 399.535 3.584 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246757699 1037599572 /nfs/dbraw/zinc/59/95/72/1037599572.db2.gz MPXGIBWICHPNHE-OQRYQMPQSA-N 2 1 399.535 3.584 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)s1 ZINC001246761150 1037603680 /nfs/dbraw/zinc/60/36/80/1037603680.db2.gz YYRLJIPAOYPXEJ-WIYYLYMNSA-N 2 1 387.593 3.940 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@H](CC)[NH2+]1 ZINC001246766365 1037609977 /nfs/dbraw/zinc/60/99/77/1037609977.db2.gz AOYWUKBJYFHLAG-KQZHTCIUSA-N 2 1 398.551 3.545 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@H](CC)[NH2+]1 ZINC001246766365 1037609984 /nfs/dbraw/zinc/60/99/84/1037609984.db2.gz AOYWUKBJYFHLAG-KQZHTCIUSA-N 2 1 398.551 3.545 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN([C@H]4CC[NH2+]C5(CCCCC5)C4)CC[N@H+]3C2)cc1 ZINC001246765492 1037610749 /nfs/dbraw/zinc/61/07/49/1037610749.db2.gz JWIUGFNLTSXDHI-QNWVGRARSA-N 2 1 383.580 3.587 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC001246783528 1037623242 /nfs/dbraw/zinc/62/32/42/1037623242.db2.gz ZYNDTSUEOAEGMP-URXFXBBRSA-N 2 1 397.538 3.624 20 0 GHADMP COC(=O)c1ccc(OC2CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)cc1 ZINC001246789531 1037628877 /nfs/dbraw/zinc/62/88/77/1037628877.db2.gz VGTYKUNSCLXCAG-NZQKXSOJSA-N 2 1 394.515 3.810 20 0 GHADMP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+]([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246792364 1037631255 /nfs/dbraw/zinc/63/12/55/1037631255.db2.gz VEJYFXAVEQTNHA-QFIPXVFZSA-N 2 1 385.502 3.814 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246817062 1037649443 /nfs/dbraw/zinc/64/94/43/1037649443.db2.gz ISEAAOOQYCTFIU-HKUYNNGSSA-N 2 1 380.374 3.882 20 0 GHADMP Cc1cccc(N2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853304 1037677875 /nfs/dbraw/zinc/67/78/75/1037677875.db2.gz UUGGUPWBKWPICW-IRLDBZIGSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853304 1037677907 /nfs/dbraw/zinc/67/79/07/1037677907.db2.gz UUGGUPWBKWPICW-IRLDBZIGSA-N 2 1 382.527 3.843 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+]1Cc3ccccc3C3(CC[NH2+]CC3)C1)CC2 ZINC001246862701 1037683428 /nfs/dbraw/zinc/68/34/28/1037683428.db2.gz QWDLWWADEAEJCC-YUVVGHDESA-N 2 1 382.548 3.635 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246890301 1037705227 /nfs/dbraw/zinc/70/52/27/1037705227.db2.gz ISFPKVYZTCDIGL-AKFKNWHVSA-N 2 1 385.596 3.904 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246907584 1037718319 /nfs/dbraw/zinc/71/83/19/1037718319.db2.gz FFUOTVRTYGQIPG-MSOLQXFVSA-N 2 1 380.374 3.656 20 0 GHADMP c1ccc(C[NH+]2CCC3(CCC[N@H+](C4CCC5(CC4)C[NH2+]CCO5)C3)CC2)cc1 ZINC001246916983 1037723466 /nfs/dbraw/zinc/72/34/66/1037723466.db2.gz VDHOESUGAHHJDF-UHFFFAOYSA-N 3 1 397.607 3.666 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001246936015 1037739029 /nfs/dbraw/zinc/73/90/29/1037739029.db2.gz VYSRAWKOXAFMMR-KRWDZBQOSA-N 2 1 384.495 3.798 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001246936015 1037739046 /nfs/dbraw/zinc/73/90/46/1037739046.db2.gz VYSRAWKOXAFMMR-KRWDZBQOSA-N 2 1 384.495 3.798 20 0 GHADMP COc1cccc2c1C[C@@H]([N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1)CO2 ZINC001246941920 1037747840 /nfs/dbraw/zinc/74/78/40/1037747840.db2.gz JIGMCOPXNMOOMU-HXUWFJFHSA-N 2 1 384.495 3.640 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2ccccn2)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246952462 1037754530 /nfs/dbraw/zinc/75/45/30/1037754530.db2.gz STYFSJYQSOEHFW-HUVFLSCGSA-N 2 1 378.564 3.689 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246952819 1037757636 /nfs/dbraw/zinc/75/76/36/1037757636.db2.gz WYPANSNMKMJBFQ-DYESRHJHSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246962309 1037782980 /nfs/dbraw/zinc/78/29/80/1037782980.db2.gz MHGLQUZNHDKWES-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246965336 1037786772 /nfs/dbraw/zinc/78/67/72/1037786772.db2.gz PTTWZVOUPLIZPS-XRXFAXGQSA-N 2 1 388.552 3.889 20 0 GHADMP C[NH2+]C1CCC([N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246966509 1037788948 /nfs/dbraw/zinc/78/89/48/1037788948.db2.gz YGDKICGJFIFZJX-UHFFFAOYSA-N 3 1 387.465 3.929 20 0 GHADMP FC(F)(F)c1ccc([C@H]2C[NH2+]CCN2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001246974634 1037796375 /nfs/dbraw/zinc/79/63/75/1037796375.db2.gz LDILFEJNVXVTTH-NHCUHLMSSA-N 2 1 389.465 3.926 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2CNCC[N@@H+]2C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246974556 1037798012 /nfs/dbraw/zinc/79/80/12/1037798012.db2.gz KGOLXFZPWJFICZ-IBGZPJMESA-N 2 1 381.486 3.964 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2CNCC[N@H+]2C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246974556 1037798028 /nfs/dbraw/zinc/79/80/28/1037798028.db2.gz KGOLXFZPWJFICZ-IBGZPJMESA-N 2 1 381.486 3.964 20 0 GHADMP C[C@@H](CSc1ccc(Cl)cc1)[N@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001246994647 1037818526 /nfs/dbraw/zinc/81/85/26/1037818526.db2.gz QPRPCWBDJCPBRL-INIZCTEOSA-N 2 1 382.017 3.969 20 0 GHADMP C[C@@H](CSc1ccc(Cl)cc1)[N@@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001246994647 1037818542 /nfs/dbraw/zinc/81/85/42/1037818542.db2.gz QPRPCWBDJCPBRL-INIZCTEOSA-N 2 1 382.017 3.969 20 0 GHADMP CCOc1ncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1C ZINC001232304686 1038053813 /nfs/dbraw/zinc/05/38/13/1038053813.db2.gz MIOKMKURLUDVLH-HXUWFJFHSA-N 2 1 399.535 3.637 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cn1 ZINC001232328402 1038107744 /nfs/dbraw/zinc/10/77/44/1038107744.db2.gz DWQFDQDRKBBLFA-UHFFFAOYSA-N 2 1 397.588 3.979 20 0 GHADMP CCOc1ccc(OC)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001232384372 1038163099 /nfs/dbraw/zinc/16/30/99/1038163099.db2.gz VQASBZDHUQMMNY-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP [NH3+][C@@H](Cc1ccc(-c2ccccc2)cc1)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247687665 1038327242 /nfs/dbraw/zinc/32/72/42/1038327242.db2.gz QUVOQTCNNMVOGF-FQEVSTJZSA-N 2 1 397.482 3.687 20 0 GHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)n2)C1 ZINC001232604523 1038384808 /nfs/dbraw/zinc/38/48/08/1038384808.db2.gz GBUIHAGBAXMLKX-QGZVFWFLSA-N 2 1 384.480 3.785 20 0 GHADMP Cc1cnccc1O[C@@H]1CCN(Cc2cccc(NC(=O)OC(C)(C)C)n2)C1 ZINC001232604523 1038384829 /nfs/dbraw/zinc/38/48/29/1038384829.db2.gz GBUIHAGBAXMLKX-QGZVFWFLSA-N 2 1 384.480 3.785 20 0 GHADMP Cc1ccc(C(F)(F)F)c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904796 1038476294 /nfs/dbraw/zinc/47/62/94/1038476294.db2.gz JPHIKUFRHRYLPK-AWEZNQCLSA-N 2 1 394.441 3.995 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3-n3cccc3)CC2)C1 ZINC001232909610 1038706698 /nfs/dbraw/zinc/70/66/98/1038706698.db2.gz SEWRYOJQEURMIR-NRFANRHFSA-N 2 1 395.547 3.717 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3-n3cccc3)CC2)C1 ZINC001232909610 1038706706 /nfs/dbraw/zinc/70/67/06/1038706706.db2.gz SEWRYOJQEURMIR-NRFANRHFSA-N 2 1 395.547 3.717 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC001232983019 1038749596 /nfs/dbraw/zinc/74/95/96/1038749596.db2.gz HOPALXJUGBIKFA-VJBWXMMDSA-N 2 1 379.552 3.529 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC001232983019 1038749600 /nfs/dbraw/zinc/74/96/00/1038749600.db2.gz HOPALXJUGBIKFA-VJBWXMMDSA-N 2 1 379.552 3.529 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC001232983019 1038749605 /nfs/dbraw/zinc/74/96/05/1038749605.db2.gz HOPALXJUGBIKFA-VJBWXMMDSA-N 2 1 379.552 3.529 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CC[C@@H]21 ZINC001232983019 1038749612 /nfs/dbraw/zinc/74/96/12/1038749612.db2.gz HOPALXJUGBIKFA-VJBWXMMDSA-N 2 1 379.552 3.529 20 0 GHADMP C[N@@H+](Cc1cc(Br)c[nH]c1=O)C1CC[NH+](C2CCCCC2)CC1 ZINC001233190433 1038959081 /nfs/dbraw/zinc/95/90/81/1038959081.db2.gz JVCCLCZXDAODTG-UHFFFAOYSA-N 2 1 382.346 3.779 20 0 GHADMP Oc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1OCC1CC1 ZINC001233224881 1038985085 /nfs/dbraw/zinc/98/50/85/1038985085.db2.gz DALXOLIXUJYQEA-KDURUIRLSA-N 2 1 384.545 3.806 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1O ZINC001233231935 1038993193 /nfs/dbraw/zinc/99/31/93/1038993193.db2.gz WIWSNNDRGOJVRV-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1O ZINC001233231935 1038993196 /nfs/dbraw/zinc/99/31/96/1038993196.db2.gz WIWSNNDRGOJVRV-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1O ZINC001233231935 1038993201 /nfs/dbraw/zinc/99/32/01/1038993201.db2.gz WIWSNNDRGOJVRV-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1O ZINC001233231935 1038993203 /nfs/dbraw/zinc/99/32/03/1038993203.db2.gz WIWSNNDRGOJVRV-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001252536285 1039025634 /nfs/dbraw/zinc/02/56/34/1039025634.db2.gz VNKYESADGYKFDO-UBFVSLLYSA-N 2 1 396.575 3.812 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276420 1039046741 /nfs/dbraw/zinc/04/67/41/1039046741.db2.gz LWVCOMGPQKFULD-UEVCKROQSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276420 1039046758 /nfs/dbraw/zinc/04/67/58/1039046758.db2.gz LWVCOMGPQKFULD-UEVCKROQSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276420 1039046775 /nfs/dbraw/zinc/04/67/75/1039046775.db2.gz LWVCOMGPQKFULD-UEVCKROQSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276420 1039046791 /nfs/dbraw/zinc/04/67/91/1039046791.db2.gz LWVCOMGPQKFULD-UEVCKROQSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276420 1039046803 /nfs/dbraw/zinc/04/68/03/1039046803.db2.gz LWVCOMGPQKFULD-UEVCKROQSA-N 2 1 377.532 3.749 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233315296 1039106210 /nfs/dbraw/zinc/10/62/10/1039106210.db2.gz GLMQGAMPEYTYFR-GOSISDBHSA-N 2 1 396.959 3.663 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC3)c1 ZINC001252845009 1039205677 /nfs/dbraw/zinc/20/56/77/1039205677.db2.gz NRJCJIWNGBDBLW-HSZRJFAPSA-N 2 1 398.522 3.856 20 0 GHADMP CC(C)C[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC001252948984 1039292311 /nfs/dbraw/zinc/29/23/11/1039292311.db2.gz DFDQGHBEMQAKMW-ISKFKSNPSA-N 2 1 392.547 3.877 20 0 GHADMP O[C@]1(C[NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949034 1039293977 /nfs/dbraw/zinc/29/39/77/1039293977.db2.gz FJXALICRDHOLFE-YCXOGWGTSA-N 2 1 376.544 3.795 20 0 GHADMP O[C@]1(C[NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949034 1039293989 /nfs/dbraw/zinc/29/39/89/1039293989.db2.gz FJXALICRDHOLFE-YCXOGWGTSA-N 2 1 376.544 3.795 20 0 GHADMP O[C@]1(C[NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949033 1039294202 /nfs/dbraw/zinc/29/42/02/1039294202.db2.gz FJXALICRDHOLFE-QVXKZJQXSA-N 2 1 376.544 3.795 20 0 GHADMP O[C@]1(C[NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949033 1039294207 /nfs/dbraw/zinc/29/42/07/1039294207.db2.gz FJXALICRDHOLFE-QVXKZJQXSA-N 2 1 376.544 3.795 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC001252951269 1039295436 /nfs/dbraw/zinc/29/54/36/1039295436.db2.gz QCHOIRZSSAUTHA-RTWAWAEBSA-N 2 1 390.449 3.919 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951269 1039295442 /nfs/dbraw/zinc/29/54/42/1039295442.db2.gz QCHOIRZSSAUTHA-RTWAWAEBSA-N 2 1 390.449 3.919 20 0 GHADMP COc1cc(CN2CC[C@@H](Oc3cc(F)ccc3F)C2)ccc1-n1ccnc1 ZINC001234057373 1039790686 /nfs/dbraw/zinc/79/06/86/1039790686.db2.gz AFNRFNTUJBXESP-QGZVFWFLSA-N 2 1 385.414 3.812 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)cc2)c1 ZINC001234171467 1039906487 /nfs/dbraw/zinc/90/64/87/1039906487.db2.gz UPNLYWXXFMTWSR-LOSJGSFVSA-N 2 1 392.591 3.973 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001254003805 1039946241 /nfs/dbraw/zinc/94/62/41/1039946241.db2.gz SEZUYLMIMWVIPD-PWRODBHTSA-N 2 1 390.568 3.552 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001254003805 1039946244 /nfs/dbraw/zinc/94/62/44/1039946244.db2.gz SEZUYLMIMWVIPD-PWRODBHTSA-N 2 1 390.568 3.552 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001254003805 1039946248 /nfs/dbraw/zinc/94/62/48/1039946248.db2.gz SEZUYLMIMWVIPD-PWRODBHTSA-N 2 1 390.568 3.552 20 0 GHADMP OC1(C[N@H+]2CCSC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038466 1039968599 /nfs/dbraw/zinc/96/85/99/1039968599.db2.gz ILRCVGRDPOHVSN-JOCHJYFZSA-N 2 1 382.573 3.804 20 0 GHADMP COc1cccc(CCC[N@@H+](C)CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001254039730 1039968799 /nfs/dbraw/zinc/96/87/99/1039968799.db2.gz IVYUXEFOTDFVTB-UHFFFAOYSA-N 2 1 382.548 3.587 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001254186344 1040034878 /nfs/dbraw/zinc/03/48/78/1040034878.db2.gz LVJGLBOQXLROKB-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP COc1ccsc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3scnc3C)CC[C@@H]2C1 ZINC001278782449 1040215526 /nfs/dbraw/zinc/21/55/26/1040215526.db2.gz ODTRQRFZXJVDPZ-IYBDPMFKSA-N 2 1 377.579 3.866 20 0 GHADMP COc1ccsc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001278782449 1040215536 /nfs/dbraw/zinc/21/55/36/1040215536.db2.gz ODTRQRFZXJVDPZ-IYBDPMFKSA-N 2 1 377.579 3.866 20 0 GHADMP COc1ccsc1C[NH+]1C[C@@H]2CC[N@H+](Cc3scnc3C)CC[C@@H]2C1 ZINC001278782449 1040215542 /nfs/dbraw/zinc/21/55/42/1040215542.db2.gz ODTRQRFZXJVDPZ-IYBDPMFKSA-N 2 1 377.579 3.866 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254702404 1040460614 /nfs/dbraw/zinc/46/06/14/1040460614.db2.gz ILDQYQATEPIDLE-SFHVURJKSA-N 2 1 397.629 3.534 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc3c(c1)NCCC3)CC2 ZINC001235018152 1040505991 /nfs/dbraw/zinc/50/59/91/1040505991.db2.gz FIFLLECREAILFK-UHFFFAOYSA-N 2 1 377.532 3.690 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc3c(c1)NCCC3)CC2 ZINC001235018152 1040506011 /nfs/dbraw/zinc/50/60/11/1040506011.db2.gz FIFLLECREAILFK-UHFFFAOYSA-N 2 1 377.532 3.690 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763586 1040522707 /nfs/dbraw/zinc/52/27/07/1040522707.db2.gz ALBUJDAQDBIMPF-AZUAARDMSA-N 2 1 387.568 3.873 20 0 GHADMP Brc1cccc(Br)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235104824 1040591452 /nfs/dbraw/zinc/59/14/52/1040591452.db2.gz UUSRPEJHJLHNEG-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP Brc1cccc2nc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)oc21 ZINC001235152940 1040645242 /nfs/dbraw/zinc/64/52/42/1040645242.db2.gz CUDWEAVPRJCAHC-MRXNPFEDSA-N 2 1 378.314 3.944 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156962 1040650751 /nfs/dbraw/zinc/65/07/51/1040650751.db2.gz OLCUJSRJDCENJF-GOSISDBHSA-N 2 1 398.332 3.954 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235157369 1040651845 /nfs/dbraw/zinc/65/18/45/1040651845.db2.gz IQYIBKYQZKKZRA-GOSISDBHSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2c(c1)[nH]nc2C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235157369 1040651857 /nfs/dbraw/zinc/65/18/57/1040651857.db2.gz IQYIBKYQZKKZRA-GOSISDBHSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2c(c1)[nH]nc2C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235157369 1040651865 /nfs/dbraw/zinc/65/18/65/1040651865.db2.gz IQYIBKYQZKKZRA-GOSISDBHSA-N 2 1 377.330 3.680 20 0 GHADMP c1ccc2c(c1)sc1ccc(C[N@@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)cc12 ZINC001235197682 1040687009 /nfs/dbraw/zinc/68/70/09/1040687009.db2.gz BPVFMSJLTMIIGR-JOCHJYFZSA-N 2 1 382.529 3.635 20 0 GHADMP c1ccc2c(c1)sc1ccc(C[N@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)cc12 ZINC001235197682 1040687019 /nfs/dbraw/zinc/68/70/19/1040687019.db2.gz BPVFMSJLTMIIGR-JOCHJYFZSA-N 2 1 382.529 3.635 20 0 GHADMP [NH3+]CCc1cn(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)c2ccc(F)cc12 ZINC001254991143 1040711941 /nfs/dbraw/zinc/71/19/41/1040711941.db2.gz ALNYMGJVNVKIQY-FRIKZZABSA-N 2 1 393.506 3.886 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)nc2c1 ZINC001235238921 1040719803 /nfs/dbraw/zinc/71/98/03/1040719803.db2.gz GOFPPDHMWSLPRJ-HNNXBMFYSA-N 2 1 382.430 3.816 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCCC1 ZINC001255015881 1040730963 /nfs/dbraw/zinc/73/09/63/1040730963.db2.gz GUYIWWXTIASTCB-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2cc(Br)ccn12 ZINC001235293465 1040765136 /nfs/dbraw/zinc/76/51/36/1040765136.db2.gz NFNSONWZYVITLL-DLBZAZTESA-N 2 1 391.357 3.936 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cnc2cc(Br)ccn12 ZINC001235293465 1040765158 /nfs/dbraw/zinc/76/51/58/1040765158.db2.gz NFNSONWZYVITLL-DLBZAZTESA-N 2 1 391.357 3.936 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cnc2cc(Br)ccn12 ZINC001235293465 1040765181 /nfs/dbraw/zinc/76/51/81/1040765181.db2.gz NFNSONWZYVITLL-DLBZAZTESA-N 2 1 391.357 3.936 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cnc2cc(Br)ccn12 ZINC001235293465 1040765200 /nfs/dbraw/zinc/76/52/00/1040765200.db2.gz NFNSONWZYVITLL-DLBZAZTESA-N 2 1 391.357 3.936 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255100405 1040782477 /nfs/dbraw/zinc/78/24/77/1040782477.db2.gz YMKRLFYVHGLYQK-IRLDBZIGSA-N 2 1 391.515 3.521 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255100405 1040782488 /nfs/dbraw/zinc/78/24/88/1040782488.db2.gz YMKRLFYVHGLYQK-IRLDBZIGSA-N 2 1 391.515 3.521 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C)([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255122161 1040811771 /nfs/dbraw/zinc/81/17/71/1040811771.db2.gz LQSJSCGEGGACKP-ACDBMABISA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C)([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255122161 1040811783 /nfs/dbraw/zinc/81/17/83/1040811783.db2.gz LQSJSCGEGGACKP-ACDBMABISA-N 2 1 385.552 3.781 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccc(OC4COC4)c2)C3)cc1 ZINC001255127500 1040819346 /nfs/dbraw/zinc/81/93/46/1040819346.db2.gz XSTHAVGGTHLZLH-DKUWSORSSA-N 2 1 378.516 3.749 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(F)c(-c4ccccc4)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235349186 1040823071 /nfs/dbraw/zinc/82/30/71/1040823071.db2.gz NBOCWLDNNYVIIN-RDPSFJRHSA-N 2 1 396.506 3.857 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001255134117 1040833767 /nfs/dbraw/zinc/83/37/67/1040833767.db2.gz XQHOWZLTECFVAE-QQFNCUIESA-N 2 1 378.520 3.551 20 0 GHADMP Fc1ccc(N2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)CC2)nc1 ZINC001255137387 1040838445 /nfs/dbraw/zinc/83/84/45/1040838445.db2.gz QLIYPLQXTGXVMP-NUNAXRQHSA-N 2 1 394.538 3.928 20 0 GHADMP Fc1ccc(N2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc1 ZINC001255137387 1040838456 /nfs/dbraw/zinc/83/84/56/1040838456.db2.gz QLIYPLQXTGXVMP-NUNAXRQHSA-N 2 1 394.538 3.928 20 0 GHADMP Fc1ccc(N2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255137387 1040838459 /nfs/dbraw/zinc/83/84/59/1040838459.db2.gz QLIYPLQXTGXVMP-NUNAXRQHSA-N 2 1 394.538 3.928 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149234 1040863173 /nfs/dbraw/zinc/86/31/73/1040863173.db2.gz GCHUPTKRBWRHBP-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149234 1040863187 /nfs/dbraw/zinc/86/31/87/1040863187.db2.gz GCHUPTKRBWRHBP-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149234 1040863189 /nfs/dbraw/zinc/86/31/89/1040863189.db2.gz GCHUPTKRBWRHBP-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149234 1040863206 /nfs/dbraw/zinc/86/32/06/1040863206.db2.gz GCHUPTKRBWRHBP-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001255151396 1040876560 /nfs/dbraw/zinc/87/65/60/1040876560.db2.gz YAVYWCKFTABLQL-LRSLUSHPSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001255151396 1040876579 /nfs/dbraw/zinc/87/65/79/1040876579.db2.gz YAVYWCKFTABLQL-LRSLUSHPSA-N 2 1 393.531 3.739 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1 ZINC001235380394 1040900943 /nfs/dbraw/zinc/90/09/43/1040900943.db2.gz UOBSLMQWQCERAH-QXAKKESOSA-N 2 1 379.342 3.525 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc(C)c1OCc1ccccc1 ZINC001235380436 1040901035 /nfs/dbraw/zinc/90/10/35/1040901035.db2.gz VHAQEHQKBGTCGJ-VDKIKQQVSA-N 2 1 392.543 3.835 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc(C)c1OCc1ccccc1 ZINC001235380435 1040901215 /nfs/dbraw/zinc/90/12/15/1040901215.db2.gz VHAQEHQKBGTCGJ-JBRSBNLGSA-N 2 1 392.543 3.835 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001235380978 1040901619 /nfs/dbraw/zinc/90/16/19/1040901619.db2.gz YJNPLNPYFPNYMO-FTJBHMTQSA-N 3 1 389.587 3.978 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC[C@H]1C)C2 ZINC001255199837 1040902967 /nfs/dbraw/zinc/90/29/67/1040902967.db2.gz JIGTWFUVJICBQG-FHGIMWBPSA-N 2 1 399.579 3.886 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)cc2)cc1 ZINC001235409335 1040920011 /nfs/dbraw/zinc/92/00/11/1040920011.db2.gz WLPZITYKDZHHSN-FYYLOGMGSA-N 2 1 382.479 3.664 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)cc2)cc1 ZINC001235409345 1040920246 /nfs/dbraw/zinc/92/02/46/1040920246.db2.gz WLPZITYKDZHHSN-JTHBVZDNSA-N 2 1 382.479 3.664 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC)cc1Br ZINC001235426385 1040927281 /nfs/dbraw/zinc/92/72/81/1040927281.db2.gz KQWHNXYBZMDCTF-LSDHHAIUSA-N 2 1 397.357 3.678 20 0 GHADMP Brc1cnc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235427812 1040928855 /nfs/dbraw/zinc/92/88/55/1040928855.db2.gz NOILRHCABBZQTR-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389036 1040977418 /nfs/dbraw/zinc/97/74/18/1040977418.db2.gz JANKZGCRSZKMGL-AZUAARDMSA-N 2 1 375.557 3.934 20 0 GHADMP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C3)cc1 ZINC001235531132 1040977814 /nfs/dbraw/zinc/97/78/14/1040977814.db2.gz GLFIBUXQQRIADR-UKILVPOCSA-N 2 1 391.559 3.635 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3(Cc4ccccn4)CCOCC3)CC2)cc1 ZINC001255391566 1040979265 /nfs/dbraw/zinc/97/92/65/1040979265.db2.gz RWBWJPCKNIRCBZ-QFIPXVFZSA-N 2 1 379.548 3.818 20 0 GHADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001235536436 1040979781 /nfs/dbraw/zinc/97/97/81/1040979781.db2.gz VRTRCWUMKCMNLT-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001235536436 1040979783 /nfs/dbraw/zinc/97/97/83/1040979783.db2.gz VRTRCWUMKCMNLT-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001235536436 1040979784 /nfs/dbraw/zinc/97/97/84/1040979784.db2.gz VRTRCWUMKCMNLT-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2cc4c(s2)CC[NH2+]C4)CCO3)c1 ZINC001235538857 1040980889 /nfs/dbraw/zinc/98/08/89/1040980889.db2.gz RAILSXXPFGXECE-HSZRJFAPSA-N 2 1 397.588 3.574 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cc4c(s2)CC[NH2+]C4)CCO3)c1 ZINC001235538857 1040980902 /nfs/dbraw/zinc/98/09/02/1040980902.db2.gz RAILSXXPFGXECE-HSZRJFAPSA-N 2 1 397.588 3.574 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cc4c(s2)CC[NH2+]C4)C3)c1 ZINC001235547319 1040982792 /nfs/dbraw/zinc/98/27/92/1040982792.db2.gz NJIBNXOODSJUSD-OFNKIYASSA-N 2 1 397.588 3.916 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255397842 1040983791 /nfs/dbraw/zinc/98/37/91/1040983791.db2.gz QJZDDHWZVDDNJW-MYGLTJDJSA-N 2 1 399.579 3.886 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001255400069 1040986924 /nfs/dbraw/zinc/98/69/24/1040986924.db2.gz DYUHWHBVBQLKMP-GXRSIYKFSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CCC[N@H+](Cc4ccccc4)CC3)O2)n1 ZINC001255400069 1040986925 /nfs/dbraw/zinc/98/69/25/1040986925.db2.gz DYUHWHBVBQLKMP-GXRSIYKFSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)O2)n1 ZINC001255400069 1040986927 /nfs/dbraw/zinc/98/69/27/1040986927.db2.gz DYUHWHBVBQLKMP-GXRSIYKFSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@@H]2C[C@@H]3CCN([C@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401078 1040987924 /nfs/dbraw/zinc/98/79/24/1040987924.db2.gz QXCOSPVQEZIKTE-MYGLTJDJSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@H]4CCC[N@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401078 1040987937 /nfs/dbraw/zinc/98/79/37/1040987937.db2.gz QXCOSPVQEZIKTE-MYGLTJDJSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401078 1040987939 /nfs/dbraw/zinc/98/79/39/1040987939.db2.gz QXCOSPVQEZIKTE-MYGLTJDJSA-N 2 1 396.535 3.585 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255401990 1040989150 /nfs/dbraw/zinc/98/91/50/1040989150.db2.gz ZKCUXMXOOXCJCT-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255401990 1040989154 /nfs/dbraw/zinc/98/91/54/1040989154.db2.gz ZKCUXMXOOXCJCT-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255401990 1040989168 /nfs/dbraw/zinc/98/91/68/1040989168.db2.gz ZKCUXMXOOXCJCT-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)CC2)cc1 ZINC001255402688 1040990259 /nfs/dbraw/zinc/99/02/59/1040990259.db2.gz LXUSODLAERCIKQ-QFIPXVFZSA-N 2 1 396.579 3.705 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)CC2)cc1 ZINC001255402688 1040990277 /nfs/dbraw/zinc/99/02/77/1040990277.db2.gz LXUSODLAERCIKQ-QFIPXVFZSA-N 2 1 396.579 3.705 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001255403826 1040990544 /nfs/dbraw/zinc/99/05/44/1040990544.db2.gz QDADQSCIHZQCRY-PIATZUFCSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001255403826 1040990551 /nfs/dbraw/zinc/99/05/51/1040990551.db2.gz QDADQSCIHZQCRY-PIATZUFCSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001255403826 1040990558 /nfs/dbraw/zinc/99/05/58/1040990558.db2.gz QDADQSCIHZQCRY-PIATZUFCSA-N 2 1 395.591 3.668 20 0 GHADMP O=C([C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403365 1040990920 /nfs/dbraw/zinc/99/09/20/1040990920.db2.gz PBGKHTSMQBCNMV-GOTSBHOMSA-N 2 1 383.580 3.766 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403365 1040990938 /nfs/dbraw/zinc/99/09/38/1040990938.db2.gz PBGKHTSMQBCNMV-GOTSBHOMSA-N 2 1 383.580 3.766 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403365 1040990939 /nfs/dbraw/zinc/99/09/39/1040990939.db2.gz PBGKHTSMQBCNMV-GOTSBHOMSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255408816 1040995871 /nfs/dbraw/zinc/99/58/71/1040995871.db2.gz BZTLDXNXWGROPD-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255408816 1040995876 /nfs/dbraw/zinc/99/58/76/1040995876.db2.gz BZTLDXNXWGROPD-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255408816 1040995888 /nfs/dbraw/zinc/99/58/88/1040995888.db2.gz BZTLDXNXWGROPD-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Fc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4ccc5c(c4)C[NH2+]C5)C3)C2)c1 ZINC001235596433 1041007870 /nfs/dbraw/zinc/00/78/70/1041007870.db2.gz JGAKBURASJYHOK-DEOSSOPVSA-N 2 1 395.522 3.548 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)C1=O ZINC001235632240 1041063739 /nfs/dbraw/zinc/06/37/39/1041063739.db2.gz KIGHOXQLCUCCJG-QHCPKHFHSA-N 2 1 395.572 3.540 20 0 GHADMP Cc1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)nn1-c1cc[nH+]cc1 ZINC001255462732 1041065244 /nfs/dbraw/zinc/06/52/44/1041065244.db2.gz FTHMWQMGCZHURW-SFHVURJKSA-N 2 1 386.459 3.615 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C2)C1=O ZINC001235635861 1041069785 /nfs/dbraw/zinc/06/97/85/1041069785.db2.gz ZPHYPYZWLNSITK-HSZRJFAPSA-N 2 1 395.572 3.540 20 0 GHADMP c1nc(C[NH2+]C2CCCC2)c2n1CCC[N@@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC001235647656 1041089534 /nfs/dbraw/zinc/08/95/34/1041089534.db2.gz XRYSJGLMOZNSKC-UHFFFAOYSA-N 2 1 380.536 3.646 20 0 GHADMP c1nc(C[NH2+]C2CCCC2)c2n1CCC[N@H+](Cc1ccc3c(c1)CCCO3)C2 ZINC001235647656 1041089551 /nfs/dbraw/zinc/08/95/51/1041089551.db2.gz XRYSJGLMOZNSKC-UHFFFAOYSA-N 2 1 380.536 3.646 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC001235660767 1041109200 /nfs/dbraw/zinc/10/92/00/1041109200.db2.gz MPOSOGDUVPJORR-SDHOMARFSA-N 2 1 375.560 3.943 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC001235660767 1041109217 /nfs/dbraw/zinc/10/92/17/1041109217.db2.gz MPOSOGDUVPJORR-SDHOMARFSA-N 2 1 375.560 3.943 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC001235660767 1041109228 /nfs/dbraw/zinc/10/92/28/1041109228.db2.gz MPOSOGDUVPJORR-SDHOMARFSA-N 2 1 375.560 3.943 20 0 GHADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC001235660767 1041109236 /nfs/dbraw/zinc/10/92/36/1041109236.db2.gz MPOSOGDUVPJORR-SDHOMARFSA-N 2 1 375.560 3.943 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC001235660767 1041109259 /nfs/dbraw/zinc/10/92/59/1041109259.db2.gz MPOSOGDUVPJORR-SDHOMARFSA-N 2 1 375.560 3.943 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3c(Cl)ccnc3F)C[C@H]2CC1 ZINC001278872949 1041141505 /nfs/dbraw/zinc/14/15/05/1041141505.db2.gz XNQGVKFSVQTACF-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccnc3F)C[C@H]2CC1 ZINC001278872949 1041141511 /nfs/dbraw/zinc/14/15/11/1041141511.db2.gz XNQGVKFSVQTACF-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccnc3F)C[C@H]2CC1 ZINC001278872949 1041141515 /nfs/dbraw/zinc/14/15/15/1041141515.db2.gz XNQGVKFSVQTACF-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccnc3F)C[C@H]2CC1 ZINC001278872949 1041141523 /nfs/dbraw/zinc/14/15/23/1041141523.db2.gz XNQGVKFSVQTACF-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)ccnc3F)C[C@H]2CC1 ZINC001278872949 1041141529 /nfs/dbraw/zinc/14/15/29/1041141529.db2.gz XNQGVKFSVQTACF-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP COc1cc(OC)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1Br ZINC001235701565 1041179515 /nfs/dbraw/zinc/17/95/15/1041179515.db2.gz JYWGJYKKSDWSIP-UHFFFAOYSA-N 2 1 397.357 3.678 20 0 GHADMP COc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(OC)cc1Br ZINC001235701585 1041180069 /nfs/dbraw/zinc/18/00/69/1041180069.db2.gz KWQLZXXEXNYKTA-UHFFFAOYSA-N 2 1 397.357 3.678 20 0 GHADMP COc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)ccc1OC(=O)c1cccs1 ZINC001235713837 1041196729 /nfs/dbraw/zinc/19/67/29/1041196729.db2.gz HPXANNDLXZWCNL-UHFFFAOYSA-N 2 1 388.533 3.797 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc2c(c(OCc3ccccc3)c1)OCO2 ZINC001235717094 1041198841 /nfs/dbraw/zinc/19/88/41/1041198841.db2.gz CXSWUQDGNQQTFD-UHFFFAOYSA-N 2 1 382.504 3.816 20 0 GHADMP CC(=O)N1CC2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2cc(C)ccc21 ZINC001255678247 1041210119 /nfs/dbraw/zinc/21/01/19/1041210119.db2.gz BSZVBQSEKWZFHT-WCRBZPEASA-N 2 1 381.564 3.710 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713278 1041238803 /nfs/dbraw/zinc/23/88/03/1041238803.db2.gz DDSXFNOBWHWSHQ-IYWMVGAKSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713278 1041238819 /nfs/dbraw/zinc/23/88/19/1041238819.db2.gz DDSXFNOBWHWSHQ-IYWMVGAKSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713278 1041238833 /nfs/dbraw/zinc/23/88/33/1041238833.db2.gz DDSXFNOBWHWSHQ-IYWMVGAKSA-N 2 1 397.485 3.725 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001255848623 1041343741 /nfs/dbraw/zinc/34/37/41/1041343741.db2.gz KAFRHCZVVBSNOP-HXUWFJFHSA-N 2 1 397.538 3.766 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235835424 1041361069 /nfs/dbraw/zinc/36/10/69/1041361069.db2.gz VJLAQRVWLYYOJW-ZCNNSNEGSA-N 2 1 375.601 3.562 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001255871069 1041361900 /nfs/dbraw/zinc/36/19/00/1041361900.db2.gz KNSTYGMVMXSMTR-JIYUALFRSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001255871069 1041361915 /nfs/dbraw/zinc/36/19/15/1041361915.db2.gz KNSTYGMVMXSMTR-JIYUALFRSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001255871069 1041361928 /nfs/dbraw/zinc/36/19/28/1041361928.db2.gz KNSTYGMVMXSMTR-JIYUALFRSA-N 2 1 396.554 3.828 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)C1 ZINC001255911683 1041395090 /nfs/dbraw/zinc/39/50/90/1041395090.db2.gz LJWOXIWXHAOEJO-KSZLIROESA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911683 1041395097 /nfs/dbraw/zinc/39/50/97/1041395097.db2.gz LJWOXIWXHAOEJO-KSZLIROESA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911683 1041395107 /nfs/dbraw/zinc/39/51/07/1041395107.db2.gz LJWOXIWXHAOEJO-KSZLIROESA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911683 1041395116 /nfs/dbraw/zinc/39/51/16/1041395116.db2.gz LJWOXIWXHAOEJO-KSZLIROESA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911683 1041395127 /nfs/dbraw/zinc/39/51/27/1041395127.db2.gz LJWOXIWXHAOEJO-KSZLIROESA-N 2 1 391.581 3.511 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960021 1041438060 /nfs/dbraw/zinc/43/80/60/1041438060.db2.gz CPOWPHSMDKQJHB-IERDGZPVSA-N 2 1 379.495 3.514 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001255962650 1041441810 /nfs/dbraw/zinc/44/18/10/1041441810.db2.gz YDRNMOICSVEDOC-FXAWDEMLSA-N 2 1 398.517 3.879 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001255962650 1041441825 /nfs/dbraw/zinc/44/18/25/1041441825.db2.gz YDRNMOICSVEDOC-FXAWDEMLSA-N 2 1 398.517 3.879 20 0 GHADMP COCCC[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CC[NH2+]CC1 ZINC001235938619 1041445220 /nfs/dbraw/zinc/44/52/20/1041445220.db2.gz YEYLLDYKHUJJHL-UHFFFAOYSA-N 2 1 378.520 3.616 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC001235939294 1041446550 /nfs/dbraw/zinc/44/65/50/1041446550.db2.gz OVLYGBWFTXHWOS-JKSUJKDBSA-N 2 1 377.410 3.689 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)cn1 ZINC001235939293 1041446652 /nfs/dbraw/zinc/44/66/52/1041446652.db2.gz OVLYGBWFTXHWOS-HZPDHXFCSA-N 2 1 377.410 3.689 20 0 GHADMP c1ccc(CC[N@@H+](Cc2ccccc2)Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001235948844 1041453528 /nfs/dbraw/zinc/45/35/28/1041453528.db2.gz TUSUKJXMNPLASB-UHFFFAOYSA-N 2 1 386.543 3.736 20 0 GHADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc(OCc2ccccc2)c1OC ZINC001235958177 1041466400 /nfs/dbraw/zinc/46/64/00/1041466400.db2.gz XMGGFBBKJQQNKM-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc(OCc2ccccc2)c1OC ZINC001235958177 1041466419 /nfs/dbraw/zinc/46/64/19/1041466419.db2.gz XMGGFBBKJQQNKM-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP c1cnc(Oc2cccc(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)c2)nc1 ZINC001235973522 1041478125 /nfs/dbraw/zinc/47/81/25/1041478125.db2.gz GQORRHJVNYHZAA-UHFFFAOYSA-N 2 1 386.499 3.906 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)CC1)CC(C)C ZINC001256041931 1041492190 /nfs/dbraw/zinc/49/21/90/1041492190.db2.gz ZVEPXVNQYUVWQH-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1)CC(C)C ZINC001256041931 1041492191 /nfs/dbraw/zinc/49/21/91/1041492191.db2.gz ZVEPXVNQYUVWQH-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1)CC(C)C ZINC001256041931 1041492193 /nfs/dbraw/zinc/49/21/93/1041492193.db2.gz ZVEPXVNQYUVWQH-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1c1ccccc1 ZINC001236007968 1041498301 /nfs/dbraw/zinc/49/83/01/1041498301.db2.gz HPBHRRFRHYSARW-GOTSBHOMSA-N 2 1 378.516 3.501 20 0 GHADMP CCn1c2ccccc2c2cc(C[NH+]3CCC([C@@H]([NH3+])C(=O)OC)CC3)ccc21 ZINC001236064829 1041517333 /nfs/dbraw/zinc/51/73/33/1041517333.db2.gz AVWLKRLNHJTRAA-JOCHJYFZSA-N 2 1 379.504 3.527 20 0 GHADMP CC(C)Oc1c(Cl)cc(CN2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)cc1Cl ZINC001236080115 1041524647 /nfs/dbraw/zinc/52/46/47/1041524647.db2.gz QXQCYJKVMYLODT-INIZCTEOSA-N 2 1 386.367 3.636 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC001236083002 1041525794 /nfs/dbraw/zinc/52/57/94/1041525794.db2.gz KLDLODKKMAXXBT-UHFFFAOYSA-N 2 1 377.454 3.709 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)c(OCc2ccccc2)cc1C ZINC001236081379 1041525986 /nfs/dbraw/zinc/52/59/86/1041525986.db2.gz DUWCJZREOWOAKU-DEOSSOPVSA-N 2 1 393.575 3.737 20 0 GHADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)C1 ZINC001236080951 1041526131 /nfs/dbraw/zinc/52/61/31/1041526131.db2.gz ZKGOIGRNIAFFBE-HXUWFJFHSA-N 2 1 385.939 3.526 20 0 GHADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3cccc(Br)c3C2)CC1 ZINC001256126877 1041557737 /nfs/dbraw/zinc/55/77/37/1041557737.db2.gz CWGNBCRKKCQDIH-KRWDZBQOSA-N 2 1 386.337 3.651 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001236145982 1041569513 /nfs/dbraw/zinc/56/95/13/1041569513.db2.gz SKTROTOPDXMGCK-FQEVSTJZSA-N 2 1 399.604 3.889 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001236145982 1041569536 /nfs/dbraw/zinc/56/95/36/1041569536.db2.gz SKTROTOPDXMGCK-FQEVSTJZSA-N 2 1 399.604 3.889 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001236145982 1041569548 /nfs/dbraw/zinc/56/95/48/1041569548.db2.gz SKTROTOPDXMGCK-FQEVSTJZSA-N 2 1 399.604 3.889 20 0 GHADMP Clc1cc(Cl)cc(-c2ccc(C[NH+]3CC(N4CC[NH2+]CC4)C3)cc2)c1 ZINC001236160447 1041583788 /nfs/dbraw/zinc/58/37/88/1041583788.db2.gz NKVUYKACRCUFSB-UHFFFAOYSA-N 2 1 376.331 3.750 20 0 GHADMP CCC[N@H+](Cc1cc(F)c(I)c(F)c1)C1CC[NH2+]CC1 ZINC001236185146 1041606153 /nfs/dbraw/zinc/60/61/53/1041606153.db2.gz XSFVIACQNRGCBB-UHFFFAOYSA-N 2 1 394.247 3.533 20 0 GHADMP CCC[N@@H+](Cc1cc(F)c(I)c(F)c1)C1CC[NH2+]CC1 ZINC001236185146 1041606162 /nfs/dbraw/zinc/60/61/62/1041606162.db2.gz XSFVIACQNRGCBB-UHFFFAOYSA-N 2 1 394.247 3.533 20 0 GHADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3c[nH]c4ccccc34)cn2)CC1 ZINC001236193755 1041612215 /nfs/dbraw/zinc/61/22/15/1041612215.db2.gz SWDRPVYYMFDFOO-JOCHJYFZSA-N 2 1 375.520 3.652 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242048 1041640279 /nfs/dbraw/zinc/64/02/79/1041640279.db2.gz VLVXPKLVFWYVKN-VWLOTQADSA-N 2 1 375.560 3.820 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242048 1041640285 /nfs/dbraw/zinc/64/02/85/1041640285.db2.gz VLVXPKLVFWYVKN-VWLOTQADSA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242048 1041640286 /nfs/dbraw/zinc/64/02/86/1041640286.db2.gz VLVXPKLVFWYVKN-VWLOTQADSA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242048 1041640293 /nfs/dbraw/zinc/64/02/93/1041640293.db2.gz VLVXPKLVFWYVKN-VWLOTQADSA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242048 1041640297 /nfs/dbraw/zinc/64/02/97/1041640297.db2.gz VLVXPKLVFWYVKN-VWLOTQADSA-N 3 1 375.560 3.820 20 0 GHADMP C[NH+]1CCC([NH2+]C2(Cc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256199167 1041643540 /nfs/dbraw/zinc/64/35/40/1041643540.db2.gz KJEHAOXTUHMKPM-UHFFFAOYSA-N 2 1 387.568 3.683 20 0 GHADMP CC[N@H+](Cc1cccc(C(=O)NCC[NH3+])c1)Cc1ccc(Cl)cc1Cl ZINC001236264698 1041646040 /nfs/dbraw/zinc/64/60/40/1041646040.db2.gz ATVSHNSVFSSLOF-UHFFFAOYSA-N 2 1 380.319 3.704 20 0 GHADMP CC[N@@H+](Cc1cccc(C(=O)NCC[NH3+])c1)Cc1ccc(Cl)cc1Cl ZINC001236264698 1041646053 /nfs/dbraw/zinc/64/60/53/1041646053.db2.gz ATVSHNSVFSSLOF-UHFFFAOYSA-N 2 1 380.319 3.704 20 0 GHADMP [NH3+]Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC001236313869 1041667849 /nfs/dbraw/zinc/66/78/49/1041667849.db2.gz CGMZZMHWWRVARP-RUZDIDTESA-N 2 1 399.538 3.949 20 0 GHADMP Fc1ccccc1CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001236364860 1041683209 /nfs/dbraw/zinc/68/32/09/1041683209.db2.gz YTAMNNKRBKGENF-FYYLOGMGSA-N 2 1 381.539 3.902 20 0 GHADMP Brc1ccc2ncc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)n2c1 ZINC001236377139 1041688473 /nfs/dbraw/zinc/68/84/73/1041688473.db2.gz YCHVWVMAJHCRCL-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP COc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc2c1OCO2 ZINC001236380418 1041690750 /nfs/dbraw/zinc/69/07/50/1041690750.db2.gz HFROXLZVQMGZOF-UHFFFAOYSA-N 2 1 386.467 3.565 20 0 GHADMP Fc1ccc(C[N@@H+](CCc2c(Cl)ncnc2Cl)CC2CC[NH2+]CC2)cc1 ZINC001236383579 1041691575 /nfs/dbraw/zinc/69/15/75/1041691575.db2.gz UMGHUJPWNWYSHN-UHFFFAOYSA-N 2 1 397.325 3.967 20 0 GHADMP O=c1ccc2c(C[N@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)ccc(O)c2[nH]1 ZINC001236385247 1041693541 /nfs/dbraw/zinc/69/35/41/1041693541.db2.gz QSGAIIMIOYMFEM-UHFFFAOYSA-N 2 1 395.478 3.787 20 0 GHADMP Fc1cccc(CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]C2)c1 ZINC001236395413 1041698918 /nfs/dbraw/zinc/69/89/18/1041698918.db2.gz RYQNGKBPYUKMTC-UPVQGACJSA-N 2 1 381.539 3.902 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001236461563 1041723425 /nfs/dbraw/zinc/72/34/25/1041723425.db2.gz MASQMAHVLRHECU-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001236461563 1041723433 /nfs/dbraw/zinc/72/34/33/1041723433.db2.gz MASQMAHVLRHECU-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc(F)c3cc[nH]c32)C2CC[NH2+]CC2)c1 ZINC001236467088 1041729440 /nfs/dbraw/zinc/72/94/40/1041729440.db2.gz MIVVSRHTGYBCPO-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc(F)c3cc[nH]c32)C2CC[NH2+]CC2)c1 ZINC001236467088 1041729445 /nfs/dbraw/zinc/72/94/45/1041729445.db2.gz MIVVSRHTGYBCPO-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cnc3ccc(Br)cn23)CC2CCC2)CC1 ZINC001236540772 1041756338 /nfs/dbraw/zinc/75/63/38/1041756338.db2.gz BFINCHVOYNRVKT-QAQDUYKDSA-N 2 1 391.357 3.969 20 0 GHADMP COc1ccc(C[N@@H+](Cc2[nH]nc3cc(F)ccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544383 1041757767 /nfs/dbraw/zinc/75/77/67/1041757767.db2.gz ABOOMXCJUJVPMC-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP CCOc1cc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(F)cn1 ZINC001236553546 1041759376 /nfs/dbraw/zinc/75/93/76/1041759376.db2.gz PNXMRXSDDOIOGW-WGSAOQKQSA-N 2 1 387.499 3.900 20 0 GHADMP CC(C)C[N@@H+](Cc1cnc2c(Br)cccn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552342 1041759933 /nfs/dbraw/zinc/75/99/33/1041759933.db2.gz PAAMOMYHDRRWDA-SHTZXODSSA-N 2 1 379.346 3.825 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624345 1041790082 /nfs/dbraw/zinc/79/00/82/1041790082.db2.gz YZKHMHOMFKTDFA-QHCPKHFHSA-N 2 1 379.548 3.571 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236672750 1041820645 /nfs/dbraw/zinc/82/06/45/1041820645.db2.gz UJYWKJARIBHOMV-KESTWPANSA-N 3 1 399.608 3.586 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccc(-n2nccn2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713850 1041849878 /nfs/dbraw/zinc/84/98/78/1041849878.db2.gz HLUGNYGEKFOPQB-MEMLXQNLSA-N 2 1 391.519 3.548 20 0 GHADMP COC(=O)COc1ccccc1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236759592 1041876226 /nfs/dbraw/zinc/87/62/26/1041876226.db2.gz WUTOQAOCSPPMEB-MEMLXQNLSA-N 2 1 388.552 3.891 20 0 GHADMP CCC[N@@H+](Cc1cc(I)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842797 1041925882 /nfs/dbraw/zinc/92/58/82/1041925882.db2.gz AKLHNQONRLAFKQ-GFCCVEGCSA-N 2 1 392.712 3.766 20 0 GHADMP CCC[N@H+](Cc1cc(I)ccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC001236842797 1041925884 /nfs/dbraw/zinc/92/58/84/1041925884.db2.gz AKLHNQONRLAFKQ-GFCCVEGCSA-N 2 1 392.712 3.766 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+]3CCSC[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC001236890882 1041941847 /nfs/dbraw/zinc/94/18/47/1041941847.db2.gz RPJGRGZJBXHCTO-JOCHJYFZSA-N 2 1 385.552 3.868 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCSC[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC001236890882 1041941849 /nfs/dbraw/zinc/94/18/49/1041941849.db2.gz RPJGRGZJBXHCTO-JOCHJYFZSA-N 2 1 385.552 3.868 20 0 GHADMP Brc1ccc2n[nH]c(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)c2c1 ZINC001236962063 1041970847 /nfs/dbraw/zinc/97/08/47/1041970847.db2.gz TWVPYLDHHUGVQG-UHFFFAOYSA-N 2 1 391.357 3.927 20 0 GHADMP Brc1cccn2c(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)cnc12 ZINC001236963273 1041971524 /nfs/dbraw/zinc/97/15/24/1041971524.db2.gz ZBILRGORWUEFPG-UHFFFAOYSA-N 2 1 391.357 3.699 20 0 GHADMP Fc1ccccc1-c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC001236988107 1041979190 /nfs/dbraw/zinc/97/91/90/1041979190.db2.gz FBGQNJXMMQRERJ-BGYRXZFFSA-N 2 1 388.490 3.847 20 0 GHADMP Fc1ccccc1-c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cn1 ZINC001236988107 1041979194 /nfs/dbraw/zinc/97/91/94/1041979194.db2.gz FBGQNJXMMQRERJ-BGYRXZFFSA-N 2 1 388.490 3.847 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099118 1042034959 /nfs/dbraw/zinc/03/49/59/1042034959.db2.gz PTUQRBWAMNESRD-QHCPKHFHSA-N 2 1 389.559 3.749 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001237152720 1042066506 /nfs/dbraw/zinc/06/65/06/1042066506.db2.gz ACFVPJGIWZYLQI-HOTGVXAUSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001237152720 1042066508 /nfs/dbraw/zinc/06/65/08/1042066508.db2.gz ACFVPJGIWZYLQI-HOTGVXAUSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001237152720 1042066513 /nfs/dbraw/zinc/06/65/13/1042066513.db2.gz ACFVPJGIWZYLQI-HOTGVXAUSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001237152720 1042066515 /nfs/dbraw/zinc/06/65/15/1042066515.db2.gz ACFVPJGIWZYLQI-HOTGVXAUSA-N 2 1 377.941 3.846 20 0 GHADMP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3ccc(CN4CCOCC4)cc3)CC[C@@H]1N2 ZINC001237237837 1042100786 /nfs/dbraw/zinc/10/07/86/1042100786.db2.gz YADRIEURRQJZNY-GGAORHGYSA-N 2 1 397.950 3.956 20 0 GHADMP Clc1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@@H]1N2 ZINC001237237837 1042100787 /nfs/dbraw/zinc/10/07/87/1042100787.db2.gz YADRIEURRQJZNY-GGAORHGYSA-N 2 1 397.950 3.956 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001462590344 1070396002 /nfs/dbraw/zinc/39/60/02/1070396002.db2.gz LEZSNNDVJWMELG-CZYKHXBRSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001462590344 1070396018 /nfs/dbraw/zinc/39/60/18/1070396018.db2.gz LEZSNNDVJWMELG-CZYKHXBRSA-N 2 1 399.579 3.744 20 0 GHADMP COC(=O)c1cc2cc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)ccc2[nH]1 ZINC001237321321 1042145885 /nfs/dbraw/zinc/14/58/85/1042145885.db2.gz RSKDQHDBJJKHIS-HXUWFJFHSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cc2cc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC001237321321 1042145887 /nfs/dbraw/zinc/14/58/87/1042145887.db2.gz RSKDQHDBJJKHIS-HXUWFJFHSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cc2cc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC001237321321 1042145891 /nfs/dbraw/zinc/14/58/91/1042145891.db2.gz RSKDQHDBJJKHIS-HXUWFJFHSA-N 2 1 391.515 3.908 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1ccc(Cl)c(I)c1)CC2 ZINC001237358133 1042167464 /nfs/dbraw/zinc/16/74/64/1042167464.db2.gz CPMACQMSDSWYCQ-AWEZNQCLSA-N 2 1 390.696 3.648 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001237697220 1042329575 /nfs/dbraw/zinc/32/95/75/1042329575.db2.gz ZYEAYNNTEVEQRS-CEWLAPEOSA-N 2 1 383.561 3.580 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001237697220 1042329582 /nfs/dbraw/zinc/32/95/82/1042329582.db2.gz ZYEAYNNTEVEQRS-CEWLAPEOSA-N 2 1 383.561 3.580 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001237697220 1042329591 /nfs/dbraw/zinc/32/95/91/1042329591.db2.gz ZYEAYNNTEVEQRS-CEWLAPEOSA-N 2 1 383.561 3.580 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001237697220 1042329598 /nfs/dbraw/zinc/32/95/98/1042329598.db2.gz ZYEAYNNTEVEQRS-CEWLAPEOSA-N 2 1 383.561 3.580 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237713145 1042338124 /nfs/dbraw/zinc/33/81/24/1042338124.db2.gz CMKOEPPILDTJKU-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237713145 1042338125 /nfs/dbraw/zinc/33/81/25/1042338125.db2.gz CMKOEPPILDTJKU-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237713145 1042338132 /nfs/dbraw/zinc/33/81/32/1042338132.db2.gz CMKOEPPILDTJKU-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237713145 1042338136 /nfs/dbraw/zinc/33/81/36/1042338136.db2.gz CMKOEPPILDTJKU-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1sccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001237965792 1042439286 /nfs/dbraw/zinc/43/92/86/1042439286.db2.gz FNPCFTRBUZSNPI-NJDAHSKKSA-N 2 1 378.582 3.537 20 0 GHADMP Cc1cnc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)c1 ZINC001238429191 1042593692 /nfs/dbraw/zinc/59/36/92/1042593692.db2.gz KPDZUTVDOKUBAD-UPVQGACJSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cnc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(C)c1 ZINC001238429191 1042593693 /nfs/dbraw/zinc/59/36/93/1042593693.db2.gz KPDZUTVDOKUBAD-UPVQGACJSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cnc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(C)c1 ZINC001238429191 1042593697 /nfs/dbraw/zinc/59/36/97/1042593697.db2.gz KPDZUTVDOKUBAD-UPVQGACJSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cnc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)c1 ZINC001238429191 1042593700 /nfs/dbraw/zinc/59/37/00/1042593700.db2.gz KPDZUTVDOKUBAD-UPVQGACJSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cnc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)c1 ZINC001238429191 1042593704 /nfs/dbraw/zinc/59/37/04/1042593704.db2.gz KPDZUTVDOKUBAD-UPVQGACJSA-N 2 1 383.580 3.659 20 0 GHADMP COc1cc(C)cc(F)c1CN1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001238584494 1042646847 /nfs/dbraw/zinc/64/68/47/1042646847.db2.gz MUBKWRDGXPNTEM-UHFFFAOYSA-N 2 1 386.515 3.507 20 0 GHADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238667989 1042677399 /nfs/dbraw/zinc/67/73/99/1042677399.db2.gz VXYLZSYILAGQNM-FGZHOGPDSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238667989 1042677402 /nfs/dbraw/zinc/67/74/02/1042677402.db2.gz VXYLZSYILAGQNM-FGZHOGPDSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(OC(C)C)cc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238667989 1042677404 /nfs/dbraw/zinc/67/74/04/1042677404.db2.gz VXYLZSYILAGQNM-FGZHOGPDSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(OC(C)C)cc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238667989 1042677405 /nfs/dbraw/zinc/67/74/05/1042677405.db2.gz VXYLZSYILAGQNM-FGZHOGPDSA-N 2 1 396.579 3.778 20 0 GHADMP Clc1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)nc1 ZINC001238685470 1042684337 /nfs/dbraw/zinc/68/43/37/1042684337.db2.gz QNEXCTIKBQPZQY-UHFFFAOYSA-N 2 1 384.955 3.615 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1O ZINC001462654142 1070445854 /nfs/dbraw/zinc/44/58/54/1070445854.db2.gz MWSIAIDEACNMIS-QHAWAJNXSA-N 2 1 396.531 3.800 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)nc1 ZINC001240397547 1042926192 /nfs/dbraw/zinc/92/61/92/1042926192.db2.gz FCPCGBKCWZZXBM-FQEVSTJZSA-N 2 1 378.564 3.870 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)nc1 ZINC001240397547 1042926194 /nfs/dbraw/zinc/92/61/94/1042926194.db2.gz FCPCGBKCWZZXBM-FQEVSTJZSA-N 2 1 378.564 3.870 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)nc1 ZINC001240397547 1042926195 /nfs/dbraw/zinc/92/61/95/1042926195.db2.gz FCPCGBKCWZZXBM-FQEVSTJZSA-N 2 1 378.564 3.870 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(-c4cnccc4C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC001240596384 1042945355 /nfs/dbraw/zinc/94/53/55/1042945355.db2.gz OAFKEEHHEFUKOA-UHFFFAOYSA-N 2 1 390.575 3.971 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(-c3ccc(N4CC[NH+](C)CC4)cc3)c2c1C ZINC001240850779 1042958519 /nfs/dbraw/zinc/95/85/19/1042958519.db2.gz YEZVTGUVZDQVPW-UHFFFAOYSA-N 2 1 395.576 3.789 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256528100 1043455380 /nfs/dbraw/zinc/45/53/80/1043455380.db2.gz XLZTUUSFELOWOK-AUSIDOKSSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256528100 1043455390 /nfs/dbraw/zinc/45/53/90/1043455390.db2.gz XLZTUUSFELOWOK-AUSIDOKSSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530344 1043461502 /nfs/dbraw/zinc/46/15/02/1043461502.db2.gz BXPGSRXNUFWPIN-UNMCSNQZSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256530344 1043461510 /nfs/dbraw/zinc/46/15/10/1043461510.db2.gz BXPGSRXNUFWPIN-UNMCSNQZSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530735 1043464904 /nfs/dbraw/zinc/46/49/04/1043464904.db2.gz DUZICLJXGXGFBR-OFVILXPXSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530735 1043464923 /nfs/dbraw/zinc/46/49/23/1043464923.db2.gz DUZICLJXGXGFBR-OFVILXPXSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccnc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534890 1043472784 /nfs/dbraw/zinc/47/27/84/1043472784.db2.gz AGQYHCVNTGEAOR-REWPJTCUSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccnc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256534890 1043472800 /nfs/dbraw/zinc/47/28/00/1043472800.db2.gz AGQYHCVNTGEAOR-REWPJTCUSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@H](N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535275 1043475306 /nfs/dbraw/zinc/47/53/06/1043475306.db2.gz DMQMQFCURWOUDD-ZHHKINOHSA-N 2 1 379.552 3.606 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541800 1043492750 /nfs/dbraw/zinc/49/27/50/1043492750.db2.gz JCFDYNSDDSBWEX-ZKMPZPQNSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541800 1043492763 /nfs/dbraw/zinc/49/27/63/1043492763.db2.gz JCFDYNSDDSBWEX-ZKMPZPQNSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541800 1043492778 /nfs/dbraw/zinc/49/27/78/1043492778.db2.gz JCFDYNSDDSBWEX-ZKMPZPQNSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)CC[C@H]21 ZINC001256547192 1043507345 /nfs/dbraw/zinc/50/73/45/1043507345.db2.gz RDGWUHOZBZXKOT-MLDBQTBOSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)CC[C@H]21 ZINC001256547192 1043507354 /nfs/dbraw/zinc/50/73/54/1043507354.db2.gz RDGWUHOZBZXKOT-MLDBQTBOSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC[C@H]21 ZINC001256547192 1043507371 /nfs/dbraw/zinc/50/73/71/1043507371.db2.gz RDGWUHOZBZXKOT-MLDBQTBOSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC[C@H]21 ZINC001256547192 1043507385 /nfs/dbraw/zinc/50/73/85/1043507385.db2.gz RDGWUHOZBZXKOT-MLDBQTBOSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256546030 1043508224 /nfs/dbraw/zinc/50/82/24/1043508224.db2.gz JLPQBQSHYHUQPY-IRLDBZIGSA-N 2 1 395.595 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256546030 1043508233 /nfs/dbraw/zinc/50/82/33/1043508233.db2.gz JLPQBQSHYHUQPY-IRLDBZIGSA-N 2 1 395.595 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256546030 1043508237 /nfs/dbraw/zinc/50/82/37/1043508237.db2.gz JLPQBQSHYHUQPY-IRLDBZIGSA-N 2 1 395.595 3.592 20 0 GHADMP C[C@@H]1C[C@H](n2nc(C(F)(F)F)c3c2C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001256552541 1043519502 /nfs/dbraw/zinc/51/95/02/1043519502.db2.gz BQXQKRPLZOLCHC-GDBMZVCRSA-N 2 1 378.442 3.773 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256558183 1043529125 /nfs/dbraw/zinc/52/91/25/1043529125.db2.gz RMOWTRJQWZDRMW-PZJWPPBQSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256558183 1043529137 /nfs/dbraw/zinc/52/91/37/1043529137.db2.gz RMOWTRJQWZDRMW-PZJWPPBQSA-N 2 1 395.547 3.987 20 0 GHADMP C[C@@H]1C[C@H](N2CC[NH+]3CCc4ccccc4[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256560670 1043534777 /nfs/dbraw/zinc/53/47/77/1043534777.db2.gz SBYBTJHSUJXKRB-XRODADMRSA-N 2 1 375.560 3.955 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4CC[NH+](C(C)(C)C)CC4)C3)CC2=O)s1 ZINC001256570226 1043542555 /nfs/dbraw/zinc/54/25/55/1043542555.db2.gz BUMGYDKVCSDEIN-OAQYLSRUSA-N 2 1 375.582 3.748 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001256572974 1043546239 /nfs/dbraw/zinc/54/62/39/1043546239.db2.gz JBYQYHPGJYEIHC-QHCPKHFHSA-N 2 1 387.543 3.513 20 0 GHADMP CSc1nc(Cl)cc(N2CCC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)CC2)n1 ZINC001256576734 1043549915 /nfs/dbraw/zinc/54/99/15/1043549915.db2.gz QUVABMICQXWUST-UHFFFAOYSA-N 2 1 398.020 3.627 20 0 GHADMP CSc1nc(Cl)cc(N2CCC[N@H+](C3CC[NH+](C(C)(C)C)CC3)CC2)n1 ZINC001256576734 1043549922 /nfs/dbraw/zinc/54/99/22/1043549922.db2.gz QUVABMICQXWUST-UHFFFAOYSA-N 2 1 398.020 3.627 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C2CC2)C1 ZINC001256605243 1043569097 /nfs/dbraw/zinc/56/90/97/1043569097.db2.gz ZWLCQGDIJZHSCW-JOCHJYFZSA-N 2 1 399.579 3.886 20 0 GHADMP c1csc(C[N@H+]2CC[C@@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)CC[C@@H]32)n1 ZINC001256607189 1043572434 /nfs/dbraw/zinc/57/24/34/1043572434.db2.gz KHAMWHOEWJSOLD-IRLDBZIGSA-N 2 1 396.604 3.704 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001256622445 1043580754 /nfs/dbraw/zinc/58/07/54/1043580754.db2.gz JCYMVCYPOQTUGS-CBQGHPETSA-N 2 1 383.580 3.608 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001256622445 1043580760 /nfs/dbraw/zinc/58/07/60/1043580760.db2.gz JCYMVCYPOQTUGS-CBQGHPETSA-N 2 1 383.580 3.608 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001256622445 1043580762 /nfs/dbraw/zinc/58/07/62/1043580762.db2.gz JCYMVCYPOQTUGS-CBQGHPETSA-N 2 1 383.580 3.608 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)CC[C@@H]21 ZINC001256695219 1043627751 /nfs/dbraw/zinc/62/77/51/1043627751.db2.gz QYOBVEAIXHCTSL-KGADMLNHSA-N 2 1 397.607 3.964 20 0 GHADMP C[C@H]1Cc2ccc(Br)cc2C[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256700165 1043630744 /nfs/dbraw/zinc/63/07/44/1043630744.db2.gz RGXFQBUZQVFWCM-VMEOHVCESA-N 2 1 393.369 3.839 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001292324224 1043684482 /nfs/dbraw/zinc/68/44/82/1043684482.db2.gz RAVBJPZEFZBLLY-JOCHJYFZSA-N 2 1 385.596 3.811 20 0 GHADMP COc1ccccc1C[N@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256852643 1043701769 /nfs/dbraw/zinc/70/17/69/1043701769.db2.gz DCTGGIHCQRQKTM-AQYVVDRMSA-N 3 1 394.563 3.831 20 0 GHADMP C[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001256855790 1043704789 /nfs/dbraw/zinc/70/47/89/1043704789.db2.gz VYPFLUZMRWTPDM-QZTJIDSGSA-N 2 1 388.556 3.533 20 0 GHADMP FC(F)(F)c1ccccc1OC1C[NH+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256860504 1043708064 /nfs/dbraw/zinc/70/80/64/1043708064.db2.gz CVFVPQJBYMKJNI-UHFFFAOYSA-N 2 1 377.410 3.832 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865577 1043710704 /nfs/dbraw/zinc/71/07/04/1043710704.db2.gz LCWFBLSEFGFZEK-JOCHJYFZSA-N 2 1 388.556 3.677 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865167 1043711265 /nfs/dbraw/zinc/71/12/65/1043711265.db2.gz RWBDDTIJKMZFAN-UHFFFAOYSA-N 3 1 382.527 3.786 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865167 1043711267 /nfs/dbraw/zinc/71/12/67/1043711267.db2.gz RWBDDTIJKMZFAN-UHFFFAOYSA-N 3 1 382.527 3.786 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865167 1043711273 /nfs/dbraw/zinc/71/12/73/1043711273.db2.gz RWBDDTIJKMZFAN-UHFFFAOYSA-N 2 1 382.527 3.786 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865167 1043711278 /nfs/dbraw/zinc/71/12/78/1043711278.db2.gz RWBDDTIJKMZFAN-UHFFFAOYSA-N 2 1 382.527 3.786 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CCN([C@@H]2CCC[NH+](C4CCCC4)C2)CC3)c1 ZINC001256919976 1043750370 /nfs/dbraw/zinc/75/03/70/1043750370.db2.gz XLGANQXYUDUWGS-HSZRJFAPSA-N 2 1 382.596 3.777 20 0 GHADMP c1cncc(C[NH+]2CCC3(C2)CCN([C@@H]2CCC[N@@H+](C4CCCC4)C2)CC3)c1 ZINC001256919976 1043750383 /nfs/dbraw/zinc/75/03/83/1043750383.db2.gz XLGANQXYUDUWGS-HSZRJFAPSA-N 2 1 382.596 3.777 20 0 GHADMP c1cncc(C[NH+]2CCC3(C2)CCN([C@@H]2CCC[N@H+](C4CCCC4)C2)CC3)c1 ZINC001256919976 1043750391 /nfs/dbraw/zinc/75/03/91/1043750391.db2.gz XLGANQXYUDUWGS-HSZRJFAPSA-N 2 1 382.596 3.777 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccccc1Cl ZINC001292582106 1043795361 /nfs/dbraw/zinc/79/53/61/1043795361.db2.gz JDNGTIURKOMSEU-LJQANCHMSA-N 2 1 379.976 3.537 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)cc1 ZINC001257154191 1043902543 /nfs/dbraw/zinc/90/25/43/1043902543.db2.gz PBMBREVFOMQKEY-KRWDZBQOSA-N 2 1 384.495 3.883 20 0 GHADMP CNC(=O)N[C@@H]1CC2(CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c2ccc(C)cc21 ZINC001257215502 1043939799 /nfs/dbraw/zinc/93/97/99/1043939799.db2.gz DWNHOXXHBTYTDV-JOCHJYFZSA-N 2 1 398.595 3.575 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001257223644 1043941648 /nfs/dbraw/zinc/94/16/48/1043941648.db2.gz UIKYBDQJRBWQSU-UHFFFAOYSA-N 2 1 397.485 3.772 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769864 1044159645 /nfs/dbraw/zinc/15/96/45/1044159645.db2.gz LPPMGPKGIPLRBM-CTDOOQEKSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769864 1044159651 /nfs/dbraw/zinc/15/96/51/1044159651.db2.gz LPPMGPKGIPLRBM-CTDOOQEKSA-N 2 1 379.589 3.876 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)CC1 ZINC001258012173 1044338750 /nfs/dbraw/zinc/33/87/50/1044338750.db2.gz PYTIYKPZAFWRGN-NRFANRHFSA-N 2 1 392.538 3.740 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)CC1 ZINC001258012173 1044338763 /nfs/dbraw/zinc/33/87/63/1044338763.db2.gz PYTIYKPZAFWRGN-NRFANRHFSA-N 2 1 392.538 3.740 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H](C)C[C@H](C)CC(C)C)CCC2 ZINC001258065664 1044378624 /nfs/dbraw/zinc/37/86/24/1044378624.db2.gz NMXLEEPXJPXICK-MOPGFXCFSA-N 2 1 376.589 3.752 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)s1 ZINC001279076456 1044409952 /nfs/dbraw/zinc/40/99/52/1044409952.db2.gz FSEMFIBBIZATMS-UHFFFAOYSA-N 2 1 375.563 3.669 20 0 GHADMP CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258137201 1044422417 /nfs/dbraw/zinc/42/24/17/1044422417.db2.gz DRCOMUSBGVUZGS-HZCBDIJESA-N 2 1 385.596 3.757 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141590 1044427891 /nfs/dbraw/zinc/42/78/91/1044427891.db2.gz CQRLZSCPRLEPPB-FCHUYYIVSA-N 2 1 399.579 3.777 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141590 1044427901 /nfs/dbraw/zinc/42/79/01/1044427901.db2.gz CQRLZSCPRLEPPB-FCHUYYIVSA-N 2 1 399.579 3.777 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001258142593 1044429612 /nfs/dbraw/zinc/42/96/12/1044429612.db2.gz JUXGHFQUNKGVQL-RPWUZVMVSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001258142593 1044429624 /nfs/dbraw/zinc/42/96/24/1044429624.db2.gz JUXGHFQUNKGVQL-RPWUZVMVSA-N 2 1 392.543 3.930 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145187 1044433021 /nfs/dbraw/zinc/43/30/21/1044433021.db2.gz GKPWMDAJWQKYQE-QFIPXVFZSA-N 2 1 377.576 3.900 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CC(C)(C)SCc1ccco1 ZINC001258313183 1044502628 /nfs/dbraw/zinc/50/26/28/1044502628.db2.gz UPEYYOGGPRZZDZ-KRWDZBQOSA-N 2 1 384.586 3.887 20 0 GHADMP Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)[nH+]c1 ZINC001294245867 1044547146 /nfs/dbraw/zinc/54/71/46/1044547146.db2.gz GOYMQBOXIGDIAQ-NRFANRHFSA-N 2 1 380.536 3.671 20 0 GHADMP Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2)[nH+]c1 ZINC001294245867 1044547157 /nfs/dbraw/zinc/54/71/57/1044547157.db2.gz GOYMQBOXIGDIAQ-NRFANRHFSA-N 2 1 380.536 3.671 20 0 GHADMP CCCC1CCC([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001258531999 1044611680 /nfs/dbraw/zinc/61/16/80/1044611680.db2.gz JWLJVJUPXWTUAN-QZRMGYTESA-N 2 1 375.601 3.752 20 0 GHADMP Clc1ccccc1N1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001258535101 1044613035 /nfs/dbraw/zinc/61/30/35/1044613035.db2.gz BBGNIUSTUZJSMO-UHFFFAOYSA-N 2 1 399.966 3.931 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258539136 1044615463 /nfs/dbraw/zinc/61/54/63/1044615463.db2.gz STUODJDSMQKRIF-UHFFFAOYSA-N 3 1 381.008 3.784 20 0 GHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258573825 1044650742 /nfs/dbraw/zinc/65/07/42/1044650742.db2.gz DXVIQKUJGOPHAU-JOCHJYFZSA-N 2 1 395.522 3.657 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001258656675 1044693899 /nfs/dbraw/zinc/69/38/99/1044693899.db2.gz QVGORCAMGYDQGJ-JOCHJYFZSA-N 2 1 396.579 3.702 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258697729 1044720250 /nfs/dbraw/zinc/72/02/50/1044720250.db2.gz SJJSMVTZMPVZHA-OYNPSCLESA-N 2 1 375.601 3.608 20 0 GHADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001258745959 1044741957 /nfs/dbraw/zinc/74/19/57/1044741957.db2.gz ACVYLDBXJSTBEE-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001258745959 1044741974 /nfs/dbraw/zinc/74/19/74/1044741974.db2.gz ACVYLDBXJSTBEE-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H](Cc1cccc(Cl)c1)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001258745959 1044741989 /nfs/dbraw/zinc/74/19/89/1044741989.db2.gz ACVYLDBXJSTBEE-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP CCC[NH+]1CCC([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC1 ZINC001258772259 1044757277 /nfs/dbraw/zinc/75/72/77/1044757277.db2.gz LMRVSUYBKATGDY-XLIONFOSSA-N 2 1 382.527 3.672 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@H](C(=O)Nc2ccc3c(C)cc(=O)oc3c2)C(C)C)CC1 ZINC001258771296 1044757372 /nfs/dbraw/zinc/75/73/72/1044757372.db2.gz ZYAQUIZXCJVJSV-QFIPXVFZSA-N 2 1 399.535 3.529 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CC1 ZINC001258774078 1044758969 /nfs/dbraw/zinc/75/89/69/1044758969.db2.gz VDSLWWIDFIJEQJ-UHFFFAOYSA-N 2 1 375.582 3.551 20 0 GHADMP CC(C)CC(CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258835208 1044779127 /nfs/dbraw/zinc/77/91/27/1044779127.db2.gz SZDJQXOVLPWNNJ-PUHATCMVSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258835208 1044779141 /nfs/dbraw/zinc/77/91/41/1044779141.db2.gz SZDJQXOVLPWNNJ-PUHATCMVSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)CC(CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001258835208 1044779153 /nfs/dbraw/zinc/77/91/53/1044779153.db2.gz SZDJQXOVLPWNNJ-PUHATCMVSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)CC(CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001258835208 1044779168 /nfs/dbraw/zinc/77/91/68/1044779168.db2.gz SZDJQXOVLPWNNJ-PUHATCMVSA-N 2 1 387.616 3.914 20 0 GHADMP COc1cc(C[C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001258855772 1044795068 /nfs/dbraw/zinc/79/50/68/1044795068.db2.gz QZBDKPLLORASEA-KSZLIROESA-N 2 1 378.557 3.601 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)CCO1 ZINC000662321887 1045082109 /nfs/dbraw/zinc/08/21/09/1045082109.db2.gz FSOMMIXVHPUTHJ-LEWJYISDSA-N 2 1 380.960 3.850 20 0 GHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001296000634 1045218006 /nfs/dbraw/zinc/21/80/06/1045218006.db2.gz ZNUJQKZIOIMEDQ-MOPGFXCFSA-N 2 1 390.620 3.583 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C[NH+](C)CCc3ccccc3)C2)s1 ZINC001297604892 1045585049 /nfs/dbraw/zinc/58/50/49/1045585049.db2.gz AVKBPFTUEBPHLO-OAQYLSRUSA-N 2 1 399.604 3.511 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001298378656 1045791314 /nfs/dbraw/zinc/79/13/14/1045791314.db2.gz MSZBSPXHKCIZAH-DHIUTWEWSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298378656 1045791328 /nfs/dbraw/zinc/79/13/28/1045791328.db2.gz MSZBSPXHKCIZAH-DHIUTWEWSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298378656 1045791336 /nfs/dbraw/zinc/79/13/36/1045791336.db2.gz MSZBSPXHKCIZAH-DHIUTWEWSA-N 2 1 385.596 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001261252226 1045941395 /nfs/dbraw/zinc/94/13/95/1045941395.db2.gz CMNUCHVBFUPYKH-HCGNOCCLSA-N 3 1 390.575 3.798 20 0 GHADMP c1ccc(CN2C[C@H]3CC[C@@H](C2)C3[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001261252226 1045941400 /nfs/dbraw/zinc/94/14/00/1045941400.db2.gz CMNUCHVBFUPYKH-HCGNOCCLSA-N 2 1 390.575 3.798 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cs1)c1ccccc1 ZINC001262378905 1046254186 /nfs/dbraw/zinc/25/41/86/1046254186.db2.gz OFDSUEZVMCNDIZ-BBTUJRGHSA-N 2 1 398.576 3.990 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cs1)c1ccccc1 ZINC001262378905 1046254199 /nfs/dbraw/zinc/25/41/99/1046254199.db2.gz OFDSUEZVMCNDIZ-BBTUJRGHSA-N 2 1 398.576 3.990 20 0 GHADMP C[S@@](=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001262378803 1046254559 /nfs/dbraw/zinc/25/45/59/1046254559.db2.gz LTPSQOKUYXVDDH-RSOWOKRSSA-N 2 1 382.573 3.814 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC001301234965 1046421642 /nfs/dbraw/zinc/42/16/42/1046421642.db2.gz ZMRBOSDSOGWOQZ-QHCPKHFHSA-N 2 1 377.532 3.677 20 0 GHADMP CN(C)Cc1ccnc(NC(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)c1 ZINC001263648508 1047020080 /nfs/dbraw/zinc/02/00/80/1047020080.db2.gz UWJXFDWSGKNADC-KRWDZBQOSA-N 2 1 384.528 3.506 20 0 GHADMP CC[NH+](CC)CC[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001263801283 1047142301 /nfs/dbraw/zinc/14/23/01/1047142301.db2.gz WJJMPSXSMCAKLR-IUPYZPJSSA-N 2 1 386.584 3.726 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@H+]1C1CCCC1 ZINC001303541117 1047420328 /nfs/dbraw/zinc/42/03/28/1047420328.db2.gz WSGQOGQKZBYXCA-AZUAARDMSA-N 2 1 387.543 3.513 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC[NH+]1C1CCCC1 ZINC001303541117 1047420335 /nfs/dbraw/zinc/42/03/35/1047420335.db2.gz WSGQOGQKZBYXCA-AZUAARDMSA-N 2 1 387.543 3.513 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[NH+]1C1CCCC1 ZINC001303541117 1047420344 /nfs/dbraw/zinc/42/03/44/1047420344.db2.gz WSGQOGQKZBYXCA-AZUAARDMSA-N 2 1 387.543 3.513 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351949 1047656039 /nfs/dbraw/zinc/65/60/39/1047656039.db2.gz HVDRHRXGYSQJKO-QEFHDYNCSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351949 1047656044 /nfs/dbraw/zinc/65/60/44/1047656044.db2.gz HVDRHRXGYSQJKO-QEFHDYNCSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351949 1047656046 /nfs/dbraw/zinc/65/60/46/1047656046.db2.gz HVDRHRXGYSQJKO-QEFHDYNCSA-N 2 1 391.559 3.644 20 0 GHADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353047 1047656081 /nfs/dbraw/zinc/65/60/81/1047656081.db2.gz VALGQQCNZNSPKD-RBZQAINGSA-N 2 1 391.559 3.645 20 0 GHADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353047 1047656085 /nfs/dbraw/zinc/65/60/85/1047656085.db2.gz VALGQQCNZNSPKD-RBZQAINGSA-N 2 1 391.559 3.645 20 0 GHADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353047 1047656087 /nfs/dbraw/zinc/65/60/87/1047656087.db2.gz VALGQQCNZNSPKD-RBZQAINGSA-N 2 1 391.559 3.645 20 0 GHADMP Cc1cc(C[N@H+]2CCCC3(CCN(Cc4cnc(Cl)s4)CC3)C2)n(C)n1 ZINC001279278263 1047754766 /nfs/dbraw/zinc/75/47/66/1047754766.db2.gz WRYWFMZCKRWIPC-UHFFFAOYSA-N 2 1 393.988 3.717 20 0 GHADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4cnc(Cl)s4)CC3)C2)n(C)n1 ZINC001279278263 1047754772 /nfs/dbraw/zinc/75/47/72/1047754772.db2.gz WRYWFMZCKRWIPC-UHFFFAOYSA-N 2 1 393.988 3.717 20 0 GHADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(Br)cc1 ZINC001279600882 1047862985 /nfs/dbraw/zinc/86/29/85/1047862985.db2.gz WPTFQZYKRMHHFQ-IHWFROFDSA-N 2 1 394.401 3.528 20 0 GHADMP Cc1cc(CN2CCC[C@@]3(CCC[N@@H+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644003 1047887225 /nfs/dbraw/zinc/88/72/25/1047887225.db2.gz FTUTVJXIJZLLQK-OAQYLSRUSA-N 2 1 376.614 3.550 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)ccc(F)c3Cl)C[C@H]2CC1 ZINC001279663100 1047903984 /nfs/dbraw/zinc/90/39/84/1047903984.db2.gz ZRAIFVARRBELSW-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc(F)c3Cl)C[C@H]2CC1 ZINC001279663100 1047903986 /nfs/dbraw/zinc/90/39/86/1047903986.db2.gz ZRAIFVARRBELSW-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)ccc(F)c3Cl)C[C@H]2CC1 ZINC001279663100 1047903991 /nfs/dbraw/zinc/90/39/91/1047903991.db2.gz ZRAIFVARRBELSW-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)c(F)c3F)(C1)CCC2 ZINC001279712392 1047930917 /nfs/dbraw/zinc/93/09/17/1047930917.db2.gz UGEQRSXNGGZXIN-MOPGFXCFSA-N 2 1 388.886 3.763 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c(Cl)nc1C ZINC001279945673 1047998534 /nfs/dbraw/zinc/99/85/34/1047998534.db2.gz AJUQPCAKZJAWEA-OAQYLSRUSA-N 2 1 378.992 3.591 20 0 GHADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c(Cl)nc1C ZINC001279945673 1047998538 /nfs/dbraw/zinc/99/85/38/1047998538.db2.gz AJUQPCAKZJAWEA-OAQYLSRUSA-N 2 1 378.992 3.591 20 0 GHADMP CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=S)NCCC[NH+](CC)CC)C2 ZINC001279992482 1048030835 /nfs/dbraw/zinc/03/08/35/1048030835.db2.gz CMAJBKPDWITOOR-LJQANCHMSA-N 2 1 382.662 3.569 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305417680 1048037425 /nfs/dbraw/zinc/03/74/25/1048037425.db2.gz ZOWQPBRNCHMLDS-HAGHYFMRSA-N 2 1 392.636 3.687 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@@H+](CC)C(C)C ZINC001305451900 1048063734 /nfs/dbraw/zinc/06/37/34/1048063734.db2.gz CXDPUKWKJWCKAK-WOJBJXKFSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001307495886 1049334184 /nfs/dbraw/zinc/33/41/84/1049334184.db2.gz HKPRXCCAKFAKRN-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307495886 1049334193 /nfs/dbraw/zinc/33/41/93/1049334193.db2.gz HKPRXCCAKFAKRN-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307495886 1049334205 /nfs/dbraw/zinc/33/42/05/1049334205.db2.gz HKPRXCCAKFAKRN-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP COC(=O)c1ccc(OCC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(Cl)c1 ZINC001307644825 1049471151 /nfs/dbraw/zinc/47/11/51/1049471151.db2.gz UFVMITBVTPRIPT-UHFFFAOYSA-N 2 1 390.911 3.699 20 0 GHADMP CN(C)c1ccc(C2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001307708590 1049524646 /nfs/dbraw/zinc/52/46/46/1049524646.db2.gz MLFOHXLEWVFMFF-RUZDIDTESA-N 2 1 393.575 3.569 20 0 GHADMP CN(C)c1ccc(C2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001307708590 1049524661 /nfs/dbraw/zinc/52/46/61/1049524661.db2.gz MLFOHXLEWVFMFF-RUZDIDTESA-N 2 1 393.575 3.569 20 0 GHADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001307745297 1049556274 /nfs/dbraw/zinc/55/62/74/1049556274.db2.gz HLYNERJUKLOSDT-XMMPIXPASA-N 2 1 391.559 3.905 20 0 GHADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001307745297 1049556286 /nfs/dbraw/zinc/55/62/86/1049556286.db2.gz HLYNERJUKLOSDT-XMMPIXPASA-N 2 1 391.559 3.905 20 0 GHADMP C/C=C/C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001307973930 1049733094 /nfs/dbraw/zinc/73/30/94/1049733094.db2.gz LMVXLXLINRZGQV-SHTLVRLNSA-N 2 1 383.580 3.754 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC[NH+](C)CC4)CC3)n2)cc1 ZINC001307991459 1049743834 /nfs/dbraw/zinc/74/38/34/1049743834.db2.gz ZGOOGAZTVXYNPP-UHFFFAOYSA-N 2 1 398.576 3.865 20 0 GHADMP CC(C)C[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)CC1CC[NH+](C)CC1 ZINC001308025183 1049776660 /nfs/dbraw/zinc/77/66/60/1049776660.db2.gz QPXRGJSDGOKCMH-UHFFFAOYSA-N 2 1 376.495 3.950 20 0 GHADMP CC(C)C[N@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC001308027588 1049779030 /nfs/dbraw/zinc/77/90/30/1049779030.db2.gz LFVPCJABLGAANV-UHFFFAOYSA-N 2 1 380.886 3.892 20 0 GHADMP C[C@H]1C[N@@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308039098 1049789801 /nfs/dbraw/zinc/78/98/01/1049789801.db2.gz CVAYOBCPBLTDTQ-RBUKOAKNSA-N 2 1 388.556 3.629 20 0 GHADMP C[NH+](C)C1(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCCC1 ZINC001290393102 1049825980 /nfs/dbraw/zinc/82/59/80/1049825980.db2.gz QGNMEZORWVWYAT-UHFFFAOYSA-N 2 1 397.485 3.614 20 0 GHADMP C[NH+](C)C1(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCCC1 ZINC001290393102 1049825992 /nfs/dbraw/zinc/82/59/92/1049825992.db2.gz QGNMEZORWVWYAT-UHFFFAOYSA-N 2 1 397.485 3.614 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC ZINC001308260344 1049929412 /nfs/dbraw/zinc/92/94/12/1049929412.db2.gz HLHINNVAKAEKSE-FXAWDEMLSA-N 2 1 376.541 3.606 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC001290908194 1049950197 /nfs/dbraw/zinc/95/01/97/1049950197.db2.gz JLSCUPWBXWQNKO-IBGZPJMESA-N 2 1 383.580 3.942 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@H](CN3CCOCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001308565840 1050011778 /nfs/dbraw/zinc/01/17/78/1050011778.db2.gz UHCXPKWBBAGUMF-NOZRDPDXSA-N 2 1 399.623 3.579 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC(Cn3ccnn3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308603406 1050028386 /nfs/dbraw/zinc/02/83/86/1050028386.db2.gz KOCRJSBOHYICOE-DEOSSOPVSA-N 2 1 395.595 3.929 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CN(C)C(=O)OC(C)(C)C ZINC001327632705 1050237483 /nfs/dbraw/zinc/23/74/83/1050237483.db2.gz TYQZGWZPAKKHQC-LJQANCHMSA-N 2 1 389.584 3.786 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001328987717 1050688955 /nfs/dbraw/zinc/68/89/55/1050688955.db2.gz JOQDJJQDUKHXSH-IAGOWNOFSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001328987717 1050688967 /nfs/dbraw/zinc/68/89/67/1050688967.db2.gz JOQDJJQDUKHXSH-IAGOWNOFSA-N 2 1 387.351 3.683 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC001329254283 1050759070 /nfs/dbraw/zinc/75/90/70/1050759070.db2.gz VPANCVPAZJUKFS-QHCPKHFHSA-N 2 1 398.595 3.831 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC001329254283 1050759085 /nfs/dbraw/zinc/75/90/85/1050759085.db2.gz VPANCVPAZJUKFS-QHCPKHFHSA-N 2 1 398.595 3.831 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC001329254283 1050759100 /nfs/dbraw/zinc/75/91/00/1050759100.db2.gz VPANCVPAZJUKFS-QHCPKHFHSA-N 2 1 398.595 3.831 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@@H]3OCCC[C@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019095 1051633382 /nfs/dbraw/zinc/63/33/82/1051633382.db2.gz LELQTTMOSFSCHA-QVXKZJQXSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001333019095 1051633404 /nfs/dbraw/zinc/63/34/04/1051633404.db2.gz LELQTTMOSFSCHA-QVXKZJQXSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001333019095 1051633413 /nfs/dbraw/zinc/63/34/13/1051633413.db2.gz LELQTTMOSFSCHA-QVXKZJQXSA-N 2 1 398.591 3.772 20 0 GHADMP C[N@@H+](CCCNC(=O)N[C@@H](Cn1ccnc1)c1ccccc1)C1CCCCC1 ZINC001311403104 1052107522 /nfs/dbraw/zinc/10/75/22/1052107522.db2.gz YMPDOZMLMDAEOD-NRFANRHFSA-N 2 1 383.540 3.578 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC001311436183 1052145673 /nfs/dbraw/zinc/14/56/73/1052145673.db2.gz KWIDUPFJMNEXPR-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP CCCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC001311571299 1052253800 /nfs/dbraw/zinc/25/38/00/1052253800.db2.gz KHKOWALOZUXLKR-MOPGFXCFSA-N 2 1 392.613 3.647 20 0 GHADMP CN(C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001311645573 1052296659 /nfs/dbraw/zinc/29/66/59/1052296659.db2.gz BSLFCHZAWJKWGP-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C)C1 ZINC001311645573 1052296666 /nfs/dbraw/zinc/29/66/66/1052296666.db2.gz BSLFCHZAWJKWGP-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C)C1 ZINC001311645573 1052296672 /nfs/dbraw/zinc/29/66/72/1052296672.db2.gz BSLFCHZAWJKWGP-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001311688154 1052331130 /nfs/dbraw/zinc/33/11/30/1052331130.db2.gz JWQIUKSVTAJDKN-NHCUHLMSSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001311870095 1052446724 /nfs/dbraw/zinc/44/67/24/1052446724.db2.gz CLWWUEMBNCHDML-FQEVSTJZSA-N 2 1 394.991 3.726 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001311870095 1052446728 /nfs/dbraw/zinc/44/67/28/1052446728.db2.gz CLWWUEMBNCHDML-FQEVSTJZSA-N 2 1 394.991 3.726 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001311870095 1052446730 /nfs/dbraw/zinc/44/67/30/1052446730.db2.gz CLWWUEMBNCHDML-FQEVSTJZSA-N 2 1 394.991 3.726 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(c2cccs2)CCCCC1 ZINC001312048902 1052546118 /nfs/dbraw/zinc/54/61/18/1052546118.db2.gz QOKWRIIZRGCKDG-SFHVURJKSA-N 2 1 394.629 3.521 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(c2cccs2)CCCCC1 ZINC001312048902 1052546122 /nfs/dbraw/zinc/54/61/22/1052546122.db2.gz QOKWRIIZRGCKDG-SFHVURJKSA-N 2 1 394.629 3.521 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC001312518485 1052774341 /nfs/dbraw/zinc/77/43/41/1052774341.db2.gz RDULXRIEWDEITE-GOSISDBHSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001312647107 1052824421 /nfs/dbraw/zinc/82/44/21/1052824421.db2.gz FEWGIRYAHSSNPO-AWWSKVOZSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001312648265 1052825381 /nfs/dbraw/zinc/82/53/81/1052825381.db2.gz LEFWNFNDPKJTKM-PKTZIBPZSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312648265 1052825386 /nfs/dbraw/zinc/82/53/86/1052825386.db2.gz LEFWNFNDPKJTKM-PKTZIBPZSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312648265 1052825390 /nfs/dbraw/zinc/82/53/90/1052825390.db2.gz LEFWNFNDPKJTKM-PKTZIBPZSA-N 2 1 398.595 3.555 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1C ZINC001312767602 1052864156 /nfs/dbraw/zinc/86/41/56/1052864156.db2.gz INLKTYHHPUAJGI-QGQMOVRQSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1C ZINC001312767602 1052864160 /nfs/dbraw/zinc/86/41/60/1052864160.db2.gz INLKTYHHPUAJGI-QGQMOVRQSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1C ZINC001312767602 1052864165 /nfs/dbraw/zinc/86/41/65/1052864165.db2.gz INLKTYHHPUAJGI-QGQMOVRQSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001312829367 1052886686 /nfs/dbraw/zinc/88/66/86/1052886686.db2.gz ZXQYNSKVCYNZRY-VAMGGRTRSA-N 2 1 386.584 3.554 20 0 GHADMP O=C(CCCc1csc2ccccc12)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342447979 1053174302 /nfs/dbraw/zinc/17/43/02/1053174302.db2.gz LMNMCZSYGMOZHY-BGYRXZFFSA-N 2 1 397.588 3.651 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001318237511 1054517962 /nfs/dbraw/zinc/51/79/62/1054517962.db2.gz BZPNQEJYCJUEFO-QHCPKHFHSA-N 2 1 379.548 3.722 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001318237511 1054517978 /nfs/dbraw/zinc/51/79/78/1054517978.db2.gz BZPNQEJYCJUEFO-QHCPKHFHSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001318237511 1054517993 /nfs/dbraw/zinc/51/79/93/1054517993.db2.gz BZPNQEJYCJUEFO-QHCPKHFHSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001318237511 1054518005 /nfs/dbraw/zinc/51/80/05/1054518005.db2.gz BZPNQEJYCJUEFO-QHCPKHFHSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318367220 1054591264 /nfs/dbraw/zinc/59/12/64/1054591264.db2.gz BSGWGBOALPJCNE-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318367220 1054591279 /nfs/dbraw/zinc/59/12/79/1054591279.db2.gz BSGWGBOALPJCNE-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP Cc1c(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)cnn1-c1cc[nH+]cc1 ZINC001344821002 1054761054 /nfs/dbraw/zinc/76/10/54/1054761054.db2.gz PMGYFOROCBVUTL-PGRDOPGGSA-N 2 1 390.487 3.786 20 0 GHADMP Cc1c(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)cnn1-c1cc[nH+]cc1 ZINC001344821002 1054761073 /nfs/dbraw/zinc/76/10/73/1054761073.db2.gz PMGYFOROCBVUTL-PGRDOPGGSA-N 2 1 390.487 3.786 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001319460614 1055260093 /nfs/dbraw/zinc/26/00/93/1055260093.db2.gz ASTIEPCDOGTJNY-NFBKMPQASA-N 2 1 383.580 3.937 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001319460614 1055260108 /nfs/dbraw/zinc/26/01/08/1055260108.db2.gz ASTIEPCDOGTJNY-NFBKMPQASA-N 2 1 383.580 3.937 20 0 GHADMP C[C@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320627609 1055907803 /nfs/dbraw/zinc/90/78/03/1055907803.db2.gz CUHCKZGMSAHPPT-IXDOHACOSA-N 2 1 383.540 3.749 20 0 GHADMP C[C@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320627609 1055907806 /nfs/dbraw/zinc/90/78/06/1055907806.db2.gz CUHCKZGMSAHPPT-IXDOHACOSA-N 2 1 383.540 3.749 20 0 GHADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001320800021 1055967336 /nfs/dbraw/zinc/96/73/36/1055967336.db2.gz LYCGNDHYTPPPPA-NQIIRXRSSA-N 2 1 389.503 3.565 20 0 GHADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001320800019 1055967375 /nfs/dbraw/zinc/96/73/75/1055967375.db2.gz LYCGNDHYTPPPPA-GHTZIAJQSA-N 2 1 389.503 3.565 20 0 GHADMP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001353959844 1056188964 /nfs/dbraw/zinc/18/89/64/1056188964.db2.gz AOVAHXXLBTZCNK-XZOQPEGZSA-N 2 1 385.596 3.771 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc2c1OCCO2 ZINC001200533421 1056257717 /nfs/dbraw/zinc/25/77/17/1056257717.db2.gz AFDASGSELZAWGL-QGZVFWFLSA-N 2 1 382.504 3.782 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC001322226406 1056582606 /nfs/dbraw/zinc/58/26/06/1056582606.db2.gz RUEDDKXDNCUNIA-OALUTQOASA-N 2 1 397.485 3.785 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC001322226406 1056582619 /nfs/dbraw/zinc/58/26/19/1056582619.db2.gz RUEDDKXDNCUNIA-OALUTQOASA-N 2 1 397.485 3.785 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001300646915 1056763355 /nfs/dbraw/zinc/76/33/55/1056763355.db2.gz NCWGXBQWOFXBQY-BVSLBCMMSA-N 2 1 387.612 3.985 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001300646915 1056763365 /nfs/dbraw/zinc/76/33/65/1056763365.db2.gz NCWGXBQWOFXBQY-BVSLBCMMSA-N 2 1 387.612 3.985 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001323154316 1056930820 /nfs/dbraw/zinc/93/08/20/1056930820.db2.gz JIJYSVRGILOYQP-AHRSYUTCSA-N 2 1 395.950 3.853 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001323154316 1056930821 /nfs/dbraw/zinc/93/08/21/1056930821.db2.gz JIJYSVRGILOYQP-AHRSYUTCSA-N 2 1 395.950 3.853 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001323154316 1056930823 /nfs/dbraw/zinc/93/08/23/1056930823.db2.gz JIJYSVRGILOYQP-AHRSYUTCSA-N 2 1 395.950 3.853 20 0 GHADMP Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ccc2c[nH+]cn21 ZINC001323657296 1056995989 /nfs/dbraw/zinc/99/59/89/1056995989.db2.gz YHEFUSJBFFFMLC-FQEVSTJZSA-N 2 1 382.895 3.863 20 0 GHADMP CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001325221413 1057292460 /nfs/dbraw/zinc/29/24/60/1057292460.db2.gz BBJKRSMUDBDNRW-OAQYLSRUSA-N 2 1 395.551 3.734 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000848886459 1057396268 /nfs/dbraw/zinc/39/62/68/1057396268.db2.gz UFBZKDINGOJDBG-ZHACJKMWSA-N 2 1 382.504 3.810 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989976 1057495334 /nfs/dbraw/zinc/49/53/34/1057495334.db2.gz PDKXENFCMPLXKD-QUCCMNQESA-N 2 1 380.536 3.610 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000849063750 1057574017 /nfs/dbraw/zinc/57/40/17/1057574017.db2.gz NWQYZUALMPQFAK-INIZCTEOSA-N 2 1 391.972 3.870 20 0 GHADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000849078884 1057583837 /nfs/dbraw/zinc/58/38/37/1057583837.db2.gz JFOQEBYBFXXXCE-JTSKRJEESA-N 2 1 380.536 3.903 20 0 GHADMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000849090058 1057589934 /nfs/dbraw/zinc/58/99/34/1057589934.db2.gz RTXFQYWJEHLAAM-INIZCTEOSA-N 2 1 380.414 3.749 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000849092593 1057591593 /nfs/dbraw/zinc/59/15/93/1057591593.db2.gz RZTCFYLETKWYNJ-HNNXBMFYSA-N 2 1 383.521 3.655 20 0 GHADMP C[NH+]1CCN([C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)c2cccs2)CC1 ZINC000849096984 1057592635 /nfs/dbraw/zinc/59/26/35/1057592635.db2.gz RDUFZIKOPNJULG-FQEVSTJZSA-N 2 1 397.592 3.552 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1Cl ZINC001338637709 1058702268 /nfs/dbraw/zinc/70/22/68/1058702268.db2.gz IUUXBXYNUZTSPU-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001441221445 1058726563 /nfs/dbraw/zinc/72/65/63/1058726563.db2.gz CZMDEAYCDGHJLM-DHIUTWEWSA-N 2 1 379.548 3.850 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001339050637 1058939516 /nfs/dbraw/zinc/93/95/16/1058939516.db2.gz XWMITHIRLIQQTH-VQTJNVASSA-N 2 1 388.600 3.927 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001442724014 1058998367 /nfs/dbraw/zinc/99/83/67/1058998367.db2.gz MEPKBMOFCCGPFB-MRXNPFEDSA-N 2 1 398.378 3.760 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnc(C4CC[NH2+]CC4)o3)cc2)C1 ZINC001340032204 1059636439 /nfs/dbraw/zinc/63/64/39/1059636439.db2.gz BQVAEDQQSQQYCO-INIZCTEOSA-N 2 1 382.508 3.626 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([C@@H]3CCCC[NH2+]3)n2C)C1 ZINC001340061679 1059660695 /nfs/dbraw/zinc/66/06/95/1059660695.db2.gz JAWFOZBNPDVSNO-AQNXPRMDSA-N 2 1 386.584 3.566 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001340221765 1059774703 /nfs/dbraw/zinc/77/47/03/1059774703.db2.gz FPLMNDYBTGKAMG-VXKWHMMOSA-N 2 1 383.580 3.527 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447099058 1059926872 /nfs/dbraw/zinc/92/68/72/1059926872.db2.gz CVCQZUUOGBMDDQ-YSGRDPCXSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447099058 1059926875 /nfs/dbraw/zinc/92/68/75/1059926875.db2.gz CVCQZUUOGBMDDQ-YSGRDPCXSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447099058 1059926879 /nfs/dbraw/zinc/92/68/79/1059926879.db2.gz CVCQZUUOGBMDDQ-YSGRDPCXSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001448079593 1060099312 /nfs/dbraw/zinc/09/93/12/1060099312.db2.gz JZWFXOCHKFOFQL-YTFSRNRJSA-N 2 1 397.538 3.626 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC001449261987 1060364275 /nfs/dbraw/zinc/36/42/75/1060364275.db2.gz DLOUNASFFTXEQY-YSIASYRMSA-N 2 1 379.976 3.960 20 0 GHADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001450364757 1060582033 /nfs/dbraw/zinc/58/20/33/1060582033.db2.gz ZNAAPGINPHAWSZ-FQEVSTJZSA-N 2 1 394.563 3.997 20 0 GHADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001454667289 1061905989 /nfs/dbraw/zinc/90/59/89/1061905989.db2.gz JBKGEYGHTBICLJ-XMMPIXPASA-N 2 1 393.575 3.722 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001454667289 1061905991 /nfs/dbraw/zinc/90/59/91/1061905991.db2.gz JBKGEYGHTBICLJ-XMMPIXPASA-N 2 1 393.575 3.722 20 0 GHADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001454667289 1061905993 /nfs/dbraw/zinc/90/59/93/1061905993.db2.gz JBKGEYGHTBICLJ-XMMPIXPASA-N 2 1 393.575 3.722 20 0 GHADMP C[NH+](CCc1ccccc1)CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001454667289 1061905996 /nfs/dbraw/zinc/90/59/96/1061905996.db2.gz JBKGEYGHTBICLJ-XMMPIXPASA-N 2 1 393.575 3.722 20 0 GHADMP CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CCCC3)[C@H](C)C2)(c2ccccc2)CC1 ZINC001455689196 1062263323 /nfs/dbraw/zinc/26/33/23/1062263323.db2.gz NNCBMPAEQLWJTP-HXUWFJFHSA-N 2 1 383.580 3.515 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C(C)C ZINC001457688745 1063313927 /nfs/dbraw/zinc/31/39/27/1063313927.db2.gz YCKVRMRZTYFGIA-OAQYLSRUSA-N 2 1 377.548 3.805 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)C(C)C ZINC001457688745 1063313950 /nfs/dbraw/zinc/31/39/50/1063313950.db2.gz YCKVRMRZTYFGIA-OAQYLSRUSA-N 2 1 377.548 3.805 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC001457967619 1063473713 /nfs/dbraw/zinc/47/37/13/1063473713.db2.gz FKYPFJQNCOCAGX-DLTYFMDKSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001457967619 1063473732 /nfs/dbraw/zinc/47/37/32/1063473732.db2.gz FKYPFJQNCOCAGX-DLTYFMDKSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001457967619 1063473746 /nfs/dbraw/zinc/47/37/46/1063473746.db2.gz FKYPFJQNCOCAGX-DLTYFMDKSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C(C)C)CC2)CC1 ZINC001459513557 1064117117 /nfs/dbraw/zinc/11/71/17/1064117117.db2.gz IRSXBBZEZNMZSK-QFIPXVFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](C(C)C)CC2)CC1 ZINC001459513557 1064117119 /nfs/dbraw/zinc/11/71/19/1064117119.db2.gz IRSXBBZEZNMZSK-QFIPXVFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](C(C)C)CC2)CC1 ZINC001459513557 1064117126 /nfs/dbraw/zinc/11/71/26/1064117126.db2.gz IRSXBBZEZNMZSK-QFIPXVFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cn1cc(C[C@@H]2CC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)cn1 ZINC001459634345 1064151204 /nfs/dbraw/zinc/15/12/04/1064151204.db2.gz LUMBVKOSNNGQFH-QHCPKHFHSA-N 2 1 380.580 3.629 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001463729163 1064575856 /nfs/dbraw/zinc/57/58/56/1064575856.db2.gz MHPSSTSDFHZXFC-XLIONFOSSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001463729163 1064575869 /nfs/dbraw/zinc/57/58/69/1064575869.db2.gz MHPSSTSDFHZXFC-XLIONFOSSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001463729163 1064575881 /nfs/dbraw/zinc/57/58/81/1064575881.db2.gz MHPSSTSDFHZXFC-XLIONFOSSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001463729163 1064575892 /nfs/dbraw/zinc/57/58/92/1064575892.db2.gz MHPSSTSDFHZXFC-XLIONFOSSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001463729163 1064575902 /nfs/dbraw/zinc/57/59/02/1064575902.db2.gz MHPSSTSDFHZXFC-XLIONFOSSA-N 2 1 377.960 3.685 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc4ccccc4c3)CC2)CC1 ZINC000847312883 1065037138 /nfs/dbraw/zinc/03/71/38/1065037138.db2.gz SXTXFRVNAOANJZ-UHFFFAOYSA-N 2 1 379.548 3.999 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)Cc3ccccc3Cl)CC2)CC1 ZINC000847346472 1065102218 /nfs/dbraw/zinc/10/22/18/1065102218.db2.gz RHWYLCLZRICSPS-KRWDZBQOSA-N 2 1 391.987 3.584 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001464854761 1065246525 /nfs/dbraw/zinc/24/65/25/1065246525.db2.gz SNJSQGWIQKNJFJ-JOCHJYFZSA-N 2 1 375.601 3.898 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)c1 ZINC001353494866 1065977213 /nfs/dbraw/zinc/97/72/13/1065977213.db2.gz IJWUXNVXMBKUEF-UHFFFAOYSA-N 2 1 393.491 3.762 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001467741061 1067446078 /nfs/dbraw/zinc/44/60/78/1067446078.db2.gz XRFISQBGWQRVRC-FQEVSTJZSA-N 2 1 378.605 3.691 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001467859513 1067501780 /nfs/dbraw/zinc/50/17/80/1067501780.db2.gz DYAGKXBQGVMJFL-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC001467949456 1067542212 /nfs/dbraw/zinc/54/22/12/1067542212.db2.gz NCZVHVRSAMPBBS-JOCHJYFZSA-N 2 1 394.563 3.699 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001468032323 1067574069 /nfs/dbraw/zinc/57/40/69/1067574069.db2.gz LOCJTBVJJOQHFB-VQIMIIECSA-N 2 1 392.975 3.649 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC001468360291 1067703080 /nfs/dbraw/zinc/70/30/80/1067703080.db2.gz UJYDBVKQZPTDCP-FCHUYYIVSA-N 2 1 397.588 3.792 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000849098272 1067726442 /nfs/dbraw/zinc/72/64/42/1067726442.db2.gz UNAOPZFOHQFFOD-JOCHJYFZSA-N 2 1 382.508 3.695 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000849098961 1067726568 /nfs/dbraw/zinc/72/65/68/1067726568.db2.gz VIYOABXKHCBESZ-AUUYWEPGSA-N 2 1 388.537 3.785 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCCC[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001468721222 1067847442 /nfs/dbraw/zinc/84/74/42/1067847442.db2.gz SJWUXLLCGMKUAM-LGKPFJOYSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001468721222 1067847447 /nfs/dbraw/zinc/84/74/47/1067847447.db2.gz SJWUXLLCGMKUAM-LGKPFJOYSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001468721222 1067847451 /nfs/dbraw/zinc/84/74/51/1067847451.db2.gz SJWUXLLCGMKUAM-LGKPFJOYSA-N 2 1 383.580 3.525 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001468765876 1067869518 /nfs/dbraw/zinc/86/95/18/1067869518.db2.gz WPTCMEHIBQBFNC-NHCUHLMSSA-N 2 1 388.600 3.563 20 0 GHADMP CCC(CC)(CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001468832120 1067903934 /nfs/dbraw/zinc/90/39/34/1067903934.db2.gz VLIYTNCNIRTLCE-UXHICEINSA-N 2 1 388.600 3.927 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001469185626 1068017358 /nfs/dbraw/zinc/01/73/58/1068017358.db2.gz UXEPKGZWGGCBQX-LEWJYISDSA-N 2 1 388.600 3.800 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001469706617 1068325872 /nfs/dbraw/zinc/32/58/72/1068325872.db2.gz JEIXGTMFSDFWEP-IFMALSPDSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[NH+](C)C(C)(C)CC1)c1ccc(Cl)cc1 ZINC001470126867 1068584716 /nfs/dbraw/zinc/58/47/16/1068584716.db2.gz BWXZGJLXEJPBMH-IBGZPJMESA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccc(Cl)cc1 ZINC001470126867 1068584725 /nfs/dbraw/zinc/58/47/25/1068584725.db2.gz BWXZGJLXEJPBMH-IBGZPJMESA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)c1ccc(Cl)cc1 ZINC001470126867 1068584732 /nfs/dbraw/zinc/58/47/32/1068584732.db2.gz BWXZGJLXEJPBMH-IBGZPJMESA-N 2 1 394.991 3.849 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2C)c1ccc(Cl)cc1 ZINC001470131854 1068587900 /nfs/dbraw/zinc/58/79/00/1068587900.db2.gz FIAYMJMPJXHDNF-HSALFYBXSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1ccc(Cl)cc1 ZINC001470131854 1068587914 /nfs/dbraw/zinc/58/79/14/1068587914.db2.gz FIAYMJMPJXHDNF-HSALFYBXSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)c1ccc(Cl)cc1 ZINC001470131854 1068587926 /nfs/dbraw/zinc/58/79/26/1068587926.db2.gz FIAYMJMPJXHDNF-HSALFYBXSA-N 2 1 392.975 3.601 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)[NH+](CC)CC)cc1 ZINC001470357246 1068697676 /nfs/dbraw/zinc/69/76/76/1068697676.db2.gz UXEHAZVZWDTQRN-SFTDATJTSA-N 2 1 388.600 3.804 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001460550292 1068993294 /nfs/dbraw/zinc/99/32/94/1068993294.db2.gz CMUDXUBNFJFEGP-REWPJTCUSA-N 2 1 391.575 3.961 20 0 GHADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC001460577235 1069005952 /nfs/dbraw/zinc/00/59/52/1069005952.db2.gz LBLAJOKQBAQRBU-UHFFFAOYSA-N 2 1 382.346 3.584 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001460695084 1069092547 /nfs/dbraw/zinc/09/25/47/1069092547.db2.gz YUOXCUSWAGDJEF-IBGZPJMESA-N 2 1 381.923 3.782 20 0 GHADMP C[C@H](CCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC001478416423 1078859554 /nfs/dbraw/zinc/85/95/54/1078859554.db2.gz APQPBCDCBCVCCG-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC001470653958 1072672435 /nfs/dbraw/zinc/67/24/35/1072672435.db2.gz PLPCABNANFOMJO-UJKMTWAASA-N 2 1 390.616 3.545 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCCCC2)C1 ZINC001470910590 1072808433 /nfs/dbraw/zinc/80/84/33/1072808433.db2.gz WRPMJWYJUQODJS-OAQYLSRUSA-N 2 1 386.584 3.605 20 0 GHADMP CCC[NH+]1CC[C@@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)C1 ZINC001470910590 1072808446 /nfs/dbraw/zinc/80/84/46/1072808446.db2.gz WRPMJWYJUQODJS-OAQYLSRUSA-N 2 1 386.584 3.605 20 0 GHADMP CCC[NH+]1CC[C@@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)C1 ZINC001470910590 1072808460 /nfs/dbraw/zinc/80/84/60/1072808460.db2.gz WRPMJWYJUQODJS-OAQYLSRUSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)CC1 ZINC001478984621 1079051179 /nfs/dbraw/zinc/05/11/79/1079051179.db2.gz QORAPGLOFFNGQX-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001478984621 1079051185 /nfs/dbraw/zinc/05/11/85/1079051185.db2.gz QORAPGLOFFNGQX-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001478984621 1079051189 /nfs/dbraw/zinc/05/11/89/1079051189.db2.gz QORAPGLOFFNGQX-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP C[N@H+](CC(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Cc1ccccc1 ZINC001472318733 1073419045 /nfs/dbraw/zinc/41/90/45/1073419045.db2.gz VHIXKVVVMQWEDD-SGNDLWITSA-N 2 1 391.559 3.535 20 0 GHADMP C[N@@H+](CC(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Cc1ccccc1 ZINC001472318733 1073419049 /nfs/dbraw/zinc/41/90/49/1073419049.db2.gz VHIXKVVVMQWEDD-SGNDLWITSA-N 2 1 391.559 3.535 20 0 GHADMP C[NH+](CC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Cc1ccccc1 ZINC001472318733 1073419056 /nfs/dbraw/zinc/41/90/56/1073419056.db2.gz VHIXKVVVMQWEDD-SGNDLWITSA-N 2 1 391.559 3.535 20 0 GHADMP C[NH+](CC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Cc1ccccc1 ZINC001472318733 1073419059 /nfs/dbraw/zinc/41/90/59/1073419059.db2.gz VHIXKVVVMQWEDD-SGNDLWITSA-N 2 1 391.559 3.535 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1OCc1ccccc1 ZINC001473484256 1073984070 /nfs/dbraw/zinc/98/40/70/1073984070.db2.gz RPZHROOALCKJIL-GIFXNVAJSA-N 2 1 394.559 3.597 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1OCc1ccccc1 ZINC001473484256 1073984072 /nfs/dbraw/zinc/98/40/72/1073984072.db2.gz RPZHROOALCKJIL-GIFXNVAJSA-N 2 1 394.559 3.597 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1OCc1ccccc1 ZINC001473484258 1073985020 /nfs/dbraw/zinc/98/50/20/1073985020.db2.gz RPZHROOALCKJIL-VDKIKQQVSA-N 2 1 394.559 3.597 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1OCc1ccccc1 ZINC001473484258 1073985024 /nfs/dbraw/zinc/98/50/24/1073985024.db2.gz RPZHROOALCKJIL-VDKIKQQVSA-N 2 1 394.559 3.597 20 0 GHADMP C[C@@]12C[NH+](CCC(=O)OCc3ccccc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001473719094 1074105203 /nfs/dbraw/zinc/10/52/03/1074105203.db2.gz TZWJHLBCECDYJP-DQEYMECFSA-N 2 1 392.543 3.964 20 0 GHADMP Cc1cc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)n(-c2ccc(C)cc2)n1 ZINC001473750665 1074122991 /nfs/dbraw/zinc/12/29/91/1074122991.db2.gz XRAPYTWQIYCRTK-UHFFFAOYSA-N 2 1 397.567 3.626 20 0 GHADMP Cc1cc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)n(-c2ccc(C)cc2)n1 ZINC001473750665 1074122998 /nfs/dbraw/zinc/12/29/98/1074122998.db2.gz XRAPYTWQIYCRTK-UHFFFAOYSA-N 2 1 397.567 3.626 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001473810117 1074155380 /nfs/dbraw/zinc/15/53/80/1074155380.db2.gz UOUBUDLCXANXNX-OXFYSEKESA-N 2 1 391.437 3.774 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2csc(-c3ccn(C)n3)n2)C[N@H+]1Cc1ccccc1 ZINC001474072881 1074254966 /nfs/dbraw/zinc/25/49/66/1074254966.db2.gz ACQKYIOIQDLYJZ-IEBWSBKVSA-N 2 1 395.576 3.934 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC001474084561 1074258143 /nfs/dbraw/zinc/25/81/43/1074258143.db2.gz NROXFSZPRKPBCN-OAQYLSRUSA-N 2 1 397.538 3.672 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC001474084797 1074259187 /nfs/dbraw/zinc/25/91/87/1074259187.db2.gz UCHXPXJUEWCQKG-OYDLWJJNSA-N 2 1 386.580 3.718 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccc4c[nH]nc4c3)cc2)C[C@H]1C ZINC001474092448 1074261149 /nfs/dbraw/zinc/26/11/49/1074261149.db2.gz KXSKSDLIHWTGNN-KDURUIRLSA-N 2 1 392.547 3.862 20 0 GHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001474163753 1074280058 /nfs/dbraw/zinc/28/00/58/1074280058.db2.gz CJSKQQZNJGXRRC-MOPGFXCFSA-N 2 1 397.604 3.645 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001474163753 1074280060 /nfs/dbraw/zinc/28/00/60/1074280060.db2.gz CJSKQQZNJGXRRC-MOPGFXCFSA-N 2 1 397.604 3.645 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317474 1074338679 /nfs/dbraw/zinc/33/86/79/1074338679.db2.gz GWHQRQFRTYHXDK-FXAWDEMLSA-N 2 1 375.557 3.873 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317474 1074338684 /nfs/dbraw/zinc/33/86/84/1074338684.db2.gz GWHQRQFRTYHXDK-FXAWDEMLSA-N 2 1 375.557 3.873 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317474 1074338688 /nfs/dbraw/zinc/33/86/88/1074338688.db2.gz GWHQRQFRTYHXDK-FXAWDEMLSA-N 2 1 375.557 3.873 20 0 GHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(N4CCSCC4)c3)CC2)C1 ZINC001474651451 1074500547 /nfs/dbraw/zinc/50/05/47/1074500547.db2.gz PHOJSWKVBMTYHA-RXVVDRJESA-N 2 1 388.625 3.768 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001474673420 1074508373 /nfs/dbraw/zinc/50/83/73/1074508373.db2.gz BLMQCCUBHBCINT-JHMKDJTOSA-N 2 1 390.593 3.624 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736266470 598491958 /nfs/dbraw/zinc/49/19/58/598491958.db2.gz HZYBIJFQWWRREZ-KRWDZBQOSA-N 2 1 376.508 3.531 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000824617040 609138666 /nfs/dbraw/zinc/13/86/66/609138666.db2.gz BZGNBVCMSTWACA-OAHLLOKOSA-N 2 1 382.487 3.697 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164618834 719046189 /nfs/dbraw/zinc/04/61/89/719046189.db2.gz BZHANCINXKUSTQ-NFBKMPQASA-N 2 1 396.966 3.914 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164618841 719046469 /nfs/dbraw/zinc/04/64/69/719046469.db2.gz BZHANCINXKUSTQ-REWPJTCUSA-N 2 1 396.966 3.914 20 0 GHADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164637222 719238103 /nfs/dbraw/zinc/23/81/03/719238103.db2.gz UTLAUXSWXLMBOM-HZPDHXFCSA-N 2 1 399.608 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164637222 719238105 /nfs/dbraw/zinc/23/81/05/719238105.db2.gz UTLAUXSWXLMBOM-HZPDHXFCSA-N 2 1 399.608 3.695 20 0 GHADMP CC(C)c1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(C(C)(C)C)n1 ZINC001164680663 719644219 /nfs/dbraw/zinc/64/42/19/719644219.db2.gz ZLOMPSALTZDUQD-UHFFFAOYSA-N 2 1 384.572 3.569 20 0 GHADMP CC(C)c1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(C(C)(C)C)n1 ZINC001164680663 719644225 /nfs/dbraw/zinc/64/42/25/719644225.db2.gz ZLOMPSALTZDUQD-UHFFFAOYSA-N 2 1 384.572 3.569 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)cc(C)[nH+]1)CC2 ZINC001164712980 720095734 /nfs/dbraw/zinc/09/57/34/720095734.db2.gz ZKVWZQPWCLLWTC-OAQYLSRUSA-N 2 1 380.536 3.601 20 0 GHADMP C[C@H]1CCC[C@H](CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431773354 837439467 /nfs/dbraw/zinc/43/94/67/837439467.db2.gz OMPUAYCGRKHZPY-FPOVZHCZSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431795813 837570814 /nfs/dbraw/zinc/57/08/14/837570814.db2.gz QSCZBADENDAMAV-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OCc1ccccc1 ZINC000655682564 837598603 /nfs/dbraw/zinc/59/86/03/837598603.db2.gz HGTZCQBYVNIWDR-JOCHJYFZSA-N 2 1 396.531 3.617 20 0 GHADMP CC1CC[NH+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000655698904 837689639 /nfs/dbraw/zinc/68/96/39/837689639.db2.gz YOLZSNSMFUMIMH-XMMPIXPASA-N 3 1 385.596 3.652 20 0 GHADMP C[C@H](NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000510284939 837693295 /nfs/dbraw/zinc/69/32/95/837693295.db2.gz BBQCIROCIUTJBV-SVFBPWRDSA-N 2 1 388.600 3.563 20 0 GHADMP FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655715486 837718049 /nfs/dbraw/zinc/71/80/49/837718049.db2.gz KPRUSNBVBVHWKI-QUCCMNQESA-N 2 1 397.485 3.517 20 0 GHADMP CCCN(CC(F)(F)F)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000625327510 837740015 /nfs/dbraw/zinc/74/00/15/837740015.db2.gz YNTCCJCCDHOMCD-IAGOWNOFSA-N 2 1 399.501 3.534 20 0 GHADMP Clc1ccc(-c2nc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cs2)cc1 ZINC000655736680 837775775 /nfs/dbraw/zinc/77/57/75/837775775.db2.gz IQYJURHXDRWPBJ-LJQANCHMSA-N 2 1 391.968 3.849 20 0 GHADMP Clc1ccc(C[C@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655736181 837777127 /nfs/dbraw/zinc/77/71/27/837777127.db2.gz NPFFTHQLCATHIO-IRLDBZIGSA-N 2 1 385.939 3.862 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3Cl)C2)C1 ZINC000650706421 834537453 /nfs/dbraw/zinc/53/74/53/834537453.db2.gz KBJCQACJVQWZGW-LXZKKBNFSA-N 2 1 387.749 3.821 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000472292573 834582401 /nfs/dbraw/zinc/58/24/01/834582401.db2.gz ITDMCSCQFMUBRX-SFHVURJKSA-N 2 1 377.916 3.928 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000472292573 834582406 /nfs/dbraw/zinc/58/24/06/834582406.db2.gz ITDMCSCQFMUBRX-SFHVURJKSA-N 2 1 377.916 3.928 20 0 GHADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)NCc1cccs1 ZINC000647334684 834602912 /nfs/dbraw/zinc/60/29/12/834602912.db2.gz PRYNZMKFVVSBOB-MGPUTAFESA-N 2 1 382.533 3.988 20 0 GHADMP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000650722247 834688557 /nfs/dbraw/zinc/68/85/57/834688557.db2.gz NXAPIAHZNAWXNQ-JQHSSLGASA-N 2 1 382.932 3.608 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2Cl)C1 ZINC000650724101 834709469 /nfs/dbraw/zinc/70/94/69/834709469.db2.gz YGVBTWDMYVDZAC-PVAVHDDUSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2Cl)C1 ZINC000650724101 834709473 /nfs/dbraw/zinc/70/94/73/834709473.db2.gz YGVBTWDMYVDZAC-PVAVHDDUSA-N 2 1 387.749 3.963 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773016 834726326 /nfs/dbraw/zinc/72/63/26/834726326.db2.gz POGVHQDTSVDCRO-KRWDZBQOSA-N 2 1 392.469 3.831 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773016 834726332 /nfs/dbraw/zinc/72/63/32/834726332.db2.gz POGVHQDTSVDCRO-KRWDZBQOSA-N 2 1 392.469 3.831 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471118471 834741055 /nfs/dbraw/zinc/74/10/55/834741055.db2.gz FWJDGRUXACKGTM-BULFRSBZSA-N 2 1 383.511 3.598 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471118471 834741060 /nfs/dbraw/zinc/74/10/60/834741060.db2.gz FWJDGRUXACKGTM-BULFRSBZSA-N 2 1 383.511 3.598 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1)C1CC[NH+](C)CC1 ZINC000569633919 834909478 /nfs/dbraw/zinc/90/94/78/834909478.db2.gz JCRQLJSDGLIJTI-FQEVSTJZSA-N 2 1 387.959 3.514 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4cccc5cnccc54)CC3)C2)cc1 ZINC000685441925 835011528 /nfs/dbraw/zinc/01/15/28/835011528.db2.gz GTCQCXVFBOYROK-DEOSSOPVSA-N 2 1 386.543 3.627 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000685463148 835030162 /nfs/dbraw/zinc/03/01/62/835030162.db2.gz RMPQBXDBJZRRMS-MRXNPFEDSA-N 2 1 391.357 3.569 20 0 GHADMP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000685463148 835030171 /nfs/dbraw/zinc/03/01/71/835030171.db2.gz RMPQBXDBJZRRMS-MRXNPFEDSA-N 2 1 391.357 3.569 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000382411102 835040639 /nfs/dbraw/zinc/04/06/39/835040639.db2.gz DRZJBCMFFLEWRB-FPOVZHCZSA-N 2 1 387.568 3.934 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCc4sccc43)CC2)CC1 ZINC000655049091 835040783 /nfs/dbraw/zinc/04/07/83/835040783.db2.gz ICOUNMBLLMRHPE-UHFFFAOYSA-N 2 1 375.582 3.614 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000320629291 835113298 /nfs/dbraw/zinc/11/32/98/835113298.db2.gz BJMVUPOCZONGKS-UHFFFAOYSA-N 2 1 378.192 3.642 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1=CC[N@@H+](C)CC1 ZINC000511309612 835186947 /nfs/dbraw/zinc/18/69/47/835186947.db2.gz SFXMUQADSAEBJV-LJQANCHMSA-N 2 1 384.568 3.512 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)c4ccccc43)CC2)CC1 ZINC000583880879 835189727 /nfs/dbraw/zinc/18/97/27/835189727.db2.gz LSPSAQKLZFQRGN-UHFFFAOYSA-N 2 1 381.564 3.651 20 0 GHADMP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683229769 835325251 /nfs/dbraw/zinc/32/52/51/835325251.db2.gz WENLMUUAUYZIEJ-ZKZIVCHGSA-N 2 1 382.523 3.792 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c2)cc1 ZINC000093644058 835346986 /nfs/dbraw/zinc/34/69/86/835346986.db2.gz KLCKMPPORZMENC-LAUBAEHRSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c2)cc1 ZINC000093644058 835346993 /nfs/dbraw/zinc/34/69/93/835346993.db2.gz KLCKMPPORZMENC-LAUBAEHRSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000093644058 835347003 /nfs/dbraw/zinc/34/70/03/835347003.db2.gz KLCKMPPORZMENC-LAUBAEHRSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000093644058 835347012 /nfs/dbraw/zinc/34/70/12/835347012.db2.gz KLCKMPPORZMENC-LAUBAEHRSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c2)cc1 ZINC000093644060 835347064 /nfs/dbraw/zinc/34/70/64/835347064.db2.gz KLCKMPPORZMENC-UWJYYQICSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c2)cc1 ZINC000093644060 835347074 /nfs/dbraw/zinc/34/70/74/835347074.db2.gz KLCKMPPORZMENC-UWJYYQICSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2)cc1 ZINC000093644060 835347080 /nfs/dbraw/zinc/34/70/80/835347080.db2.gz KLCKMPPORZMENC-UWJYYQICSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)cc1 ZINC000093644060 835347089 /nfs/dbraw/zinc/34/70/89/835347089.db2.gz KLCKMPPORZMENC-UWJYYQICSA-N 2 1 381.520 3.862 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000510117667 835382224 /nfs/dbraw/zinc/38/22/24/835382224.db2.gz JDMCEDLVNMLAFF-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000510117667 835382233 /nfs/dbraw/zinc/38/22/33/835382233.db2.gz JDMCEDLVNMLAFF-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000510117667 835382241 /nfs/dbraw/zinc/38/22/41/835382241.db2.gz JDMCEDLVNMLAFF-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000510117667 835382251 /nfs/dbraw/zinc/38/22/51/835382251.db2.gz JDMCEDLVNMLAFF-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000151369071 835405041 /nfs/dbraw/zinc/40/50/41/835405041.db2.gz VJYHAOPGAUQRKB-KBPBESRZSA-N 2 1 375.340 3.586 20 0 GHADMP COC(=O)[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccsc1 ZINC000278575014 835443150 /nfs/dbraw/zinc/44/31/50/835443150.db2.gz BDXPBFVJKLHCKL-FQEVSTJZSA-N 2 1 387.549 3.852 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCS2 ZINC000658142923 835452999 /nfs/dbraw/zinc/45/29/99/835452999.db2.gz ZVSDTBWWNLGLFS-WIYYLYMNSA-N 2 1 384.545 3.589 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000658144708 835455741 /nfs/dbraw/zinc/45/57/41/835455741.db2.gz NPKOTPVZVFUKRX-NHCUHLMSSA-N 2 1 384.520 3.511 20 0 GHADMP COCCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658138012 835461356 /nfs/dbraw/zinc/46/13/56/835461356.db2.gz LTJMDHSSQVOFTE-DHIUTWEWSA-N 2 1 386.511 3.650 20 0 GHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658139473 835465713 /nfs/dbraw/zinc/46/57/13/835465713.db2.gz LUAXWGRDXXUNBK-FYYLOGMGSA-N 2 1 380.532 3.874 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCC1 ZINC000584220334 835770608 /nfs/dbraw/zinc/77/06/08/835770608.db2.gz HXABYSCSNBXRPV-UHFFFAOYSA-N 2 1 378.520 3.509 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000547748307 836001411 /nfs/dbraw/zinc/00/14/11/836001411.db2.gz BAHFLFYXZHYBBS-UYAOXDASSA-N 2 1 386.584 3.730 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC000180854513 844175804 /nfs/dbraw/zinc/17/58/04/844175804.db2.gz DZCNIYACEPZQFD-UHFFFAOYSA-N 2 1 393.487 3.653 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H](C)C3=CC[N@H+](C)CC3)c2c1C ZINC000511366269 836623930 /nfs/dbraw/zinc/62/39/30/836623930.db2.gz ZBFYRYKUOFFFKT-OAHLLOKOSA-N 2 1 385.581 3.966 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H](C)C3=CC[N@@H+](C)CC3)c2c1C ZINC000511366269 836623938 /nfs/dbraw/zinc/62/39/38/836623938.db2.gz ZBFYRYKUOFFFKT-OAHLLOKOSA-N 2 1 385.581 3.966 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000500863850 844184433 /nfs/dbraw/zinc/18/44/33/844184433.db2.gz HDXJYCLONBPQNW-RTBURBONSA-N 2 1 380.602 3.695 20 0 GHADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109790159 836694499 /nfs/dbraw/zinc/69/44/99/836694499.db2.gz WPUJNVXCRVETME-IBGZPJMESA-N 2 1 379.548 3.777 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476562 837002437 /nfs/dbraw/zinc/00/24/37/837002437.db2.gz JIQWRXYBZXMXOF-RTWAWAEBSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476562 837002444 /nfs/dbraw/zinc/00/24/44/837002444.db2.gz JIQWRXYBZXMXOF-RTWAWAEBSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476562 837002452 /nfs/dbraw/zinc/00/24/52/837002452.db2.gz JIQWRXYBZXMXOF-RTWAWAEBSA-N 2 1 391.559 3.819 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC001167256299 837049217 /nfs/dbraw/zinc/04/92/17/837049217.db2.gz VTFRVFCEMZGCKM-QGZVFWFLSA-N 2 1 380.479 3.995 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC001167256299 837049231 /nfs/dbraw/zinc/04/92/31/837049231.db2.gz VTFRVFCEMZGCKM-QGZVFWFLSA-N 2 1 380.479 3.995 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000162053162 837102157 /nfs/dbraw/zinc/10/21/57/837102157.db2.gz BOEBEWVOHHGXIQ-HSZRJFAPSA-N 3 1 378.649 3.525 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000511425488 837251543 /nfs/dbraw/zinc/25/15/43/837251543.db2.gz AMDGWEKIPCMVNS-IFMALSPDSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000511425488 837251549 /nfs/dbraw/zinc/25/15/49/837251549.db2.gz AMDGWEKIPCMVNS-IFMALSPDSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000511425488 837251557 /nfs/dbraw/zinc/25/15/57/837251557.db2.gz AMDGWEKIPCMVNS-IFMALSPDSA-N 2 1 398.595 3.603 20 0 GHADMP c1ccc2c(c1)C[C@H]1C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCCN21 ZINC000685849686 837288218 /nfs/dbraw/zinc/28/82/18/837288218.db2.gz DVXWMENWULSFTP-QHCPKHFHSA-N 2 1 391.559 3.798 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cncc(Br)c3)CC2)nc(C)[nH+]1 ZINC000565242400 837839143 /nfs/dbraw/zinc/83/91/43/837839143.db2.gz FEYJLUKZBITLMX-CYBMUJFWSA-N 2 1 390.329 3.571 20 0 GHADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177492772 837990579 /nfs/dbraw/zinc/99/05/79/837990579.db2.gz WUDGCFWSXSQURV-HSALFYBXSA-N 2 1 387.568 3.533 20 0 GHADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177492772 837990586 /nfs/dbraw/zinc/99/05/86/837990586.db2.gz WUDGCFWSXSQURV-HSALFYBXSA-N 2 1 387.568 3.533 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOc2ccc3c(c2)OCO3)CC1 ZINC001167307443 838022024 /nfs/dbraw/zinc/02/20/24/838022024.db2.gz YFDUHPGOXMVTIA-UHFFFAOYSA-N 2 1 382.504 3.638 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000535668626 844286872 /nfs/dbraw/zinc/28/68/72/844286872.db2.gz USZKSZGTJPRLAL-UHFFFAOYSA-N 2 1 382.430 3.950 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000535668626 844286877 /nfs/dbraw/zinc/28/68/77/844286877.db2.gz USZKSZGTJPRLAL-UHFFFAOYSA-N 2 1 382.430 3.950 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCSc3ccccc3Cl)C2)CC1 ZINC000377907769 838133935 /nfs/dbraw/zinc/13/39/35/838133935.db2.gz JZJPHTSECWBMGK-SFHVURJKSA-N 2 1 382.017 3.923 20 0 GHADMP FC(F)(F)Cc1noc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)n1 ZINC000377935483 838183691 /nfs/dbraw/zinc/18/36/91/838183691.db2.gz BHIFDLSNGUKLQO-HZPDHXFCSA-N 2 1 380.414 3.558 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000052208978 844305648 /nfs/dbraw/zinc/30/56/48/844305648.db2.gz RCXSIHSBFZTFJQ-UHFFFAOYSA-N 2 1 383.483 3.670 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000052208978 844305659 /nfs/dbraw/zinc/30/56/59/844305659.db2.gz RCXSIHSBFZTFJQ-UHFFFAOYSA-N 2 1 383.483 3.670 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCc4ccc(Cl)cc43)cc2)CC1 ZINC000535686348 844306518 /nfs/dbraw/zinc/30/65/18/844306518.db2.gz MHWRHZGTABFUQE-QFIPXVFZSA-N 2 1 397.950 3.895 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000415915870 838264195 /nfs/dbraw/zinc/26/41/95/838264195.db2.gz ALWPITYRVONYDN-JTHBVZDNSA-N 2 1 392.547 3.924 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000415919790 838271105 /nfs/dbraw/zinc/27/11/05/838271105.db2.gz NYJSRVBKKNCJDD-FRIKZZABSA-N 2 1 378.520 3.723 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000415920294 838278665 /nfs/dbraw/zinc/27/86/65/838278665.db2.gz OOSTYJMDTLDPSP-QFIPXVFZSA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415927105 838284076 /nfs/dbraw/zinc/28/40/76/838284076.db2.gz FITKVFZEGHCISV-OAQYLSRUSA-N 2 1 380.536 3.830 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415930591 838288511 /nfs/dbraw/zinc/28/85/11/838288511.db2.gz AOZPMGPKYLVTDA-SFHVURJKSA-N 2 1 396.535 3.720 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000415947052 838301320 /nfs/dbraw/zinc/30/13/20/838301320.db2.gz VNENIKCNRGPSNN-NRFANRHFSA-N 2 1 380.536 3.755 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415948408 838303012 /nfs/dbraw/zinc/30/30/12/838303012.db2.gz YFOVBDXNNMVKKT-OEWRPIJISA-N 2 1 380.536 3.684 20 0 GHADMP C[NH2+][C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cccc(Cl)c1Cl ZINC000659366038 838320337 /nfs/dbraw/zinc/32/03/37/838320337.db2.gz ZXINALQKUAUSIE-FUHWJXTLSA-N 2 1 394.302 3.554 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000659466668 838425855 /nfs/dbraw/zinc/42/58/55/838425855.db2.gz IDRFEDVVQPXKRK-UWJYYQICSA-N 2 1 395.551 3.663 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cc1 ZINC000430471141 838447607 /nfs/dbraw/zinc/44/76/07/838447607.db2.gz JDIOTJCWOLLNND-UHFFFAOYSA-N 2 1 397.567 3.942 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CCC[NH+]3CCCC3)c2c1C ZINC000513077405 844334016 /nfs/dbraw/zinc/33/40/16/844334016.db2.gz QVNRGCDZZHRDHZ-UHFFFAOYSA-N 2 1 387.597 3.826 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275732276 838599031 /nfs/dbraw/zinc/59/90/31/838599031.db2.gz XOJRNWWHWMTKFB-SIKLNZKXSA-N 2 1 394.563 3.823 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)cc2)C1 ZINC000601242284 838648909 /nfs/dbraw/zinc/64/89/09/838648909.db2.gz LBIQLPVCABQLEO-DNVFCKCGSA-N 2 1 398.595 3.543 20 0 GHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000651350710 838716466 /nfs/dbraw/zinc/71/64/66/838716466.db2.gz PNTZHXAWEKBPSS-OMQSBVIBSA-N 2 1 382.470 3.865 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275764674 838764254 /nfs/dbraw/zinc/76/42/54/838764254.db2.gz UCFIGEIMKRJOQN-YLJYHZDGSA-N 2 1 383.502 3.761 20 0 GHADMP C[NH2+][C@H](C)Cc1noc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cccc(C)c2)n1 ZINC000580073015 838810988 /nfs/dbraw/zinc/81/09/88/838810988.db2.gz UHKJOBKAJOPFPR-QIJUGHKUSA-N 2 1 390.531 3.912 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000892738022 838937166 /nfs/dbraw/zinc/93/71/66/838937166.db2.gz AGCXKTOVVCTAHN-UHFFFAOYSA-N 2 1 387.549 3.986 20 0 GHADMP Cc1nc2ccccc2nc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431837439 838959314 /nfs/dbraw/zinc/95/93/14/838959314.db2.gz WZGOULFQKBCNRT-UHFFFAOYSA-N 2 1 381.568 3.571 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000415059081 839129932 /nfs/dbraw/zinc/12/99/32/839129932.db2.gz WNGCSGOGUQUSCC-WMZOPIPTSA-N 2 1 378.442 3.855 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415064509 839150419 /nfs/dbraw/zinc/15/04/19/839150419.db2.gz CSTOECIHJFXSHP-HXUWFJFHSA-N 2 1 398.576 3.619 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nsc4ccccc43)CC2)CC1 ZINC000659992837 839161798 /nfs/dbraw/zinc/16/17/98/839161798.db2.gz LHLLFNHABYMUGW-UHFFFAOYSA-N 2 1 386.609 3.924 20 0 GHADMP NC1(C[NH2+]Cc2sccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000415137271 839261807 /nfs/dbraw/zinc/26/18/07/839261807.db2.gz SSTSIZAJNYXGBI-UHFFFAOYSA-N 2 1 394.382 3.594 20 0 GHADMP C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378572620 839350617 /nfs/dbraw/zinc/35/06/17/839350617.db2.gz PLBPSYLLXZSUQE-WIYYLYMNSA-N 2 1 376.504 3.779 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N(C)CC[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000152690161 839532530 /nfs/dbraw/zinc/53/25/30/839532530.db2.gz ANGZEMPUTIVIBB-NYLDSWQDSA-N 2 1 378.605 3.545 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000510330420 839672842 /nfs/dbraw/zinc/67/28/42/839672842.db2.gz XGEJEYKTIPJNNX-UHFFFAOYSA-N 2 1 379.504 3.746 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C)CCC[NH3+])cc1)C[C@H]1CCCCO1 ZINC000415405144 839716482 /nfs/dbraw/zinc/71/64/82/839716482.db2.gz MPNTVOGRYDHBAK-WIYYLYMNSA-N 2 1 390.572 3.715 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000580579256 839839226 /nfs/dbraw/zinc/83/92/26/839839226.db2.gz MLZBEXAYPOQHQC-JOCHJYFZSA-N 2 1 399.966 3.766 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000416854008 840232048 /nfs/dbraw/zinc/23/20/48/840232048.db2.gz OSIGIHBUZUYQPI-NSISKUIASA-N 2 1 392.975 3.506 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)C1 ZINC000416974088 840330747 /nfs/dbraw/zinc/33/07/47/840330747.db2.gz WEHCHHUUDZYUMN-XXBNENTESA-N 2 1 398.595 3.592 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000093532460 840340741 /nfs/dbraw/zinc/34/07/41/840340741.db2.gz VZTLPMVHFCQEHG-UHFFFAOYSA-N 2 1 384.364 3.944 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000093532460 840340747 /nfs/dbraw/zinc/34/07/47/840340747.db2.gz VZTLPMVHFCQEHG-UHFFFAOYSA-N 2 1 384.364 3.944 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417049792 840409232 /nfs/dbraw/zinc/40/92/32/840409232.db2.gz VEDXACRGGZMZIX-AVRDEDQJSA-N 2 1 382.552 3.651 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](C)C1 ZINC000364035498 840497839 /nfs/dbraw/zinc/49/78/39/840497839.db2.gz QGWZENFYSOEVAW-LMNJBCLMSA-N 2 1 386.584 3.682 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](C)C1 ZINC000364035498 840497844 /nfs/dbraw/zinc/49/78/44/840497844.db2.gz QGWZENFYSOEVAW-LMNJBCLMSA-N 2 1 386.584 3.682 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000511681638 840507643 /nfs/dbraw/zinc/50/76/43/840507643.db2.gz IPBSANTVIWLMOB-UHFFFAOYSA-N 2 1 389.559 3.949 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000417218207 840610776 /nfs/dbraw/zinc/61/07/76/840610776.db2.gz LEVPILIPPQUCLG-OYRHEFFESA-N 2 1 398.595 3.592 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000584121151 840686203 /nfs/dbraw/zinc/68/62/03/840686203.db2.gz BYGPALOEMCXGAD-UHFFFAOYSA-N 2 1 378.314 3.659 20 0 GHADMP CC(C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000511772125 840712291 /nfs/dbraw/zinc/71/22/91/840712291.db2.gz XXQYZEMLFRRLJS-HSZRJFAPSA-N 2 1 379.548 3.561 20 0 GHADMP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000194859292 840881293 /nfs/dbraw/zinc/88/12/93/840881293.db2.gz BHGAJTQKPWJELK-QHCPKHFHSA-N 2 1 379.548 3.610 20 0 GHADMP COC1CC[NH+](C2(CN[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCCC2)CC1 ZINC000548155796 840881465 /nfs/dbraw/zinc/88/14/65/840881465.db2.gz DDAXUNABAUHZIT-GGAORHGYSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417827164 841208367 /nfs/dbraw/zinc/20/83/67/841208367.db2.gz PDSGFOVCSQAGSE-WTIAFYNJSA-N 2 1 394.563 3.676 20 0 GHADMP C[C@H](CC1CCCC1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364182820 841315353 /nfs/dbraw/zinc/31/53/53/841315353.db2.gz PILJVUMWHXJIOS-LJQANCHMSA-N 2 1 377.617 3.858 20 0 GHADMP Cc1ccc2c(C3=CC[N@@H+](CCCN4CC[NH+](C(C)C)CC4)CC3)c[nH]c2c1 ZINC000500123376 841478739 /nfs/dbraw/zinc/47/87/39/841478739.db2.gz LCLUHSMPPHLNJS-UHFFFAOYSA-N 2 1 380.580 3.982 20 0 GHADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000651817713 841649817 /nfs/dbraw/zinc/64/98/17/841649817.db2.gz XVZLORFROVVNPP-YADHBBJMSA-N 2 1 388.596 3.956 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000544003401 841700100 /nfs/dbraw/zinc/70/01/00/841700100.db2.gz GLLQXIRNHMDHER-ABHNRTSZSA-N 2 1 391.522 3.620 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662824317 841705964 /nfs/dbraw/zinc/70/59/64/841705964.db2.gz BRBHEWPNGBTDFM-INIZCTEOSA-N 2 1 375.582 3.511 20 0 GHADMP Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001167473969 841792118 /nfs/dbraw/zinc/79/21/18/841792118.db2.gz ODLJFMGHMSILJS-NHCUHLMSSA-N 2 1 383.536 3.924 20 0 GHADMP COc1cncc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000625584668 841819672 /nfs/dbraw/zinc/81/96/72/841819672.db2.gz ZHCVWYGLFTYWEE-QFIPXVFZSA-N 2 1 380.536 3.608 20 0 GHADMP COc1cncc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000625584668 841819684 /nfs/dbraw/zinc/81/96/84/841819684.db2.gz ZHCVWYGLFTYWEE-QFIPXVFZSA-N 2 1 380.536 3.608 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783109 841913465 /nfs/dbraw/zinc/91/34/65/841913465.db2.gz OCFLMVNYFMUACA-HXUWFJFHSA-N 2 1 395.547 3.881 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001167822780 841975481 /nfs/dbraw/zinc/97/54/81/841975481.db2.gz JHVGZIYETPUICR-HXUWFJFHSA-N 3 1 393.641 3.925 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001167822780 841975491 /nfs/dbraw/zinc/97/54/91/841975491.db2.gz JHVGZIYETPUICR-HXUWFJFHSA-N 2 1 393.641 3.925 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000303506110 842003449 /nfs/dbraw/zinc/00/34/49/842003449.db2.gz VYGOERWBVMTTIE-REWPJTCUSA-N 2 1 394.563 3.643 20 0 GHADMP [NH3+][C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(Cl)c1 ZINC000662920834 842003406 /nfs/dbraw/zinc/00/34/06/842003406.db2.gz YWCUCEOLJLRLKI-FPOVZHCZSA-N 2 1 397.950 3.758 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001167823549 842007491 /nfs/dbraw/zinc/00/74/91/842007491.db2.gz DJOSMEBGUWDLED-LJQANCHMSA-N 2 1 385.556 3.573 20 0 GHADMP COc1ccc([C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccn2)cc1 ZINC000652166249 842036304 /nfs/dbraw/zinc/03/63/04/842036304.db2.gz MNDBKLCWULHSPS-YYDVJCTNSA-N 2 1 383.536 3.659 20 0 GHADMP CCn1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc21 ZINC000473133250 842037352 /nfs/dbraw/zinc/03/73/52/842037352.db2.gz RCNZEHFENPIRRR-KDURUIRLSA-N 2 1 384.568 3.768 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001167825693 842048967 /nfs/dbraw/zinc/04/89/67/842048967.db2.gz KWHWBEBQXVZCIN-JAXLGGSGSA-N 2 1 375.557 3.594 20 0 GHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512038663 842251284 /nfs/dbraw/zinc/25/12/84/842251284.db2.gz KWBHYDMWBYJNPT-NSHDSACASA-N 2 1 386.334 3.827 20 0 GHADMP C[NH+](C)Cc1cnc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 ZINC000512045854 842311447 /nfs/dbraw/zinc/31/14/47/842311447.db2.gz OILVRHOQWVEFDO-UHFFFAOYSA-N 2 1 398.507 3.886 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000652347316 842325140 /nfs/dbraw/zinc/32/51/40/842325140.db2.gz YNUGXQVCRQIQPC-JQHSSLGASA-N 2 1 375.900 3.713 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)c2)cc1 ZINC000623654859 861299373 /nfs/dbraw/zinc/29/93/73/861299373.db2.gz KRDMVKZFIXODIL-IBGZPJMESA-N 2 1 381.520 3.769 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)c2)cc1 ZINC000623654859 861299388 /nfs/dbraw/zinc/29/93/88/861299388.db2.gz KRDMVKZFIXODIL-IBGZPJMESA-N 2 1 381.520 3.769 20 0 GHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)c(OC)c1 ZINC000652355215 842354458 /nfs/dbraw/zinc/35/44/58/842354458.db2.gz RDTGVHATJNZSBE-RDTXWAMCSA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)c(OC)c1 ZINC000652355215 842354467 /nfs/dbraw/zinc/35/44/67/842354467.db2.gz RDTGVHATJNZSBE-RDTXWAMCSA-N 2 1 375.538 3.777 20 0 GHADMP C[N@H+]1CCCC[C@@H](CNCc2cccc(Br)c2OC(F)F)C1 ZINC000623657010 861302993 /nfs/dbraw/zinc/30/29/93/861302993.db2.gz HRKFJLNAAYFILT-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000623657010 861303010 /nfs/dbraw/zinc/30/30/10/861303010.db2.gz HRKFJLNAAYFILT-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000623657010 861303027 /nfs/dbraw/zinc/30/30/27/861303027.db2.gz HRKFJLNAAYFILT-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC000399026282 842417193 /nfs/dbraw/zinc/41/71/93/842417193.db2.gz JKRWSYSUDUFXCF-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(Br)c1 ZINC000512085617 842447924 /nfs/dbraw/zinc/44/79/24/842447924.db2.gz XIGKGLZBVUWMKO-UHFFFAOYSA-N 2 1 393.325 3.688 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CCCO1 ZINC000432426739 842455247 /nfs/dbraw/zinc/45/52/47/842455247.db2.gz USJLNUKUFRZBKJ-HNAYVOBHSA-N 2 1 381.358 3.991 20 0 GHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512089040 842457136 /nfs/dbraw/zinc/45/71/36/842457136.db2.gz QTRYCZYLTNWXRT-OAHLLOKOSA-N 2 1 378.973 3.783 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000512129155 842591022 /nfs/dbraw/zinc/59/10/22/842591022.db2.gz UWCFEKNKKLWFKX-DNVCBOLYSA-N 2 1 397.485 3.855 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000245772313 842615691 /nfs/dbraw/zinc/61/56/91/842615691.db2.gz SBNDOOCBGNKVSY-KBXCAEBGSA-N 2 1 379.342 3.887 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000245772313 842615695 /nfs/dbraw/zinc/61/56/95/842615695.db2.gz SBNDOOCBGNKVSY-KBXCAEBGSA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000245772313 842615697 /nfs/dbraw/zinc/61/56/97/842615697.db2.gz SBNDOOCBGNKVSY-KBXCAEBGSA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000245772313 842615699 /nfs/dbraw/zinc/61/56/99/842615699.db2.gz SBNDOOCBGNKVSY-KBXCAEBGSA-N 2 1 379.342 3.887 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000581931211 842736092 /nfs/dbraw/zinc/73/60/92/842736092.db2.gz VZQZJIBFSKTUKQ-CMKODMSKSA-N 2 1 381.524 3.564 20 0 GHADMP COc1cccc(C(=O)N2CCC([N@@H+](CC(C)C)[C@H]3CC[C@H]([NH3+])CC3)CC2)c1 ZINC001167861719 842881377 /nfs/dbraw/zinc/88/13/77/842881377.db2.gz CQQFZBSXYYSQAM-MXVIHJGJSA-N 2 1 387.568 3.528 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662290687 843081367 /nfs/dbraw/zinc/08/13/67/843081367.db2.gz IHGABBWVUYKVSB-INIZCTEOSA-N 2 1 394.441 3.967 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295183 843086832 /nfs/dbraw/zinc/08/68/32/843086832.db2.gz FTTIURXALJASOL-HOCLYGCPSA-N 2 1 383.458 3.744 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000662425469 843218432 /nfs/dbraw/zinc/21/84/32/843218432.db2.gz CLLHKYOANQBXGY-FXAWDEMLSA-N 2 1 397.588 3.769 20 0 GHADMP C[N@H+](C[C@H](O)C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1)C1CC1 ZINC001167889606 843272587 /nfs/dbraw/zinc/27/25/87/843272587.db2.gz PQMRXUMSLWIALF-LJQANCHMSA-N 2 1 395.385 3.739 20 0 GHADMP C[N@@H+](C[C@H](O)C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1)C1CC1 ZINC001167889606 843272595 /nfs/dbraw/zinc/27/25/95/843272595.db2.gz PQMRXUMSLWIALF-LJQANCHMSA-N 2 1 395.385 3.739 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000178695494 861397458 /nfs/dbraw/zinc/39/74/58/861397458.db2.gz APRXSEOZIZRUBO-HZPDHXFCSA-N 2 1 376.932 3.508 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000673686651 861408261 /nfs/dbraw/zinc/40/82/61/861408261.db2.gz PISZLQGMUVJCRF-MAUKXSAKSA-N 2 1 385.474 3.546 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000673686651 861408267 /nfs/dbraw/zinc/40/82/67/861408267.db2.gz PISZLQGMUVJCRF-MAUKXSAKSA-N 2 1 385.474 3.546 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512326520 843382434 /nfs/dbraw/zinc/38/24/34/843382434.db2.gz RVOITMNNDMEWQG-KJXAQDMKSA-N 2 1 379.548 3.706 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000432673371 843421260 /nfs/dbraw/zinc/42/12/60/843421260.db2.gz VMVMJSUOXSWEEZ-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000432673371 843421267 /nfs/dbraw/zinc/42/12/67/843421267.db2.gz VMVMJSUOXSWEEZ-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418682302 843530531 /nfs/dbraw/zinc/53/05/31/843530531.db2.gz WGMLQFXAXWMVLL-RZUBCFFCSA-N 2 1 386.584 3.763 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418730578 843578566 /nfs/dbraw/zinc/57/85/66/843578566.db2.gz SNGRXNVQJONXFE-VSKRKVRLSA-N 2 1 386.584 3.590 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000092056563 843579188 /nfs/dbraw/zinc/57/91/88/843579188.db2.gz AAGKLZXVNWHZJR-UHFFFAOYSA-N 2 1 385.596 3.869 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000500568735 843652466 /nfs/dbraw/zinc/65/24/66/843652466.db2.gz KUVHYSAEZWBHFB-VAPSRWTKSA-N 2 1 398.595 3.555 20 0 GHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000663464878 843660353 /nfs/dbraw/zinc/66/03/53/843660353.db2.gz GPASLHIVUFYUSK-IEBWSBKVSA-N 2 1 376.541 3.875 20 0 GHADMP Cc1ccccc1OCCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512420652 843750619 /nfs/dbraw/zinc/75/06/19/843750619.db2.gz MOINLWZMNYQJEK-DEOSSOPVSA-N 2 1 393.575 3.656 20 0 GHADMP Cc1ccccc1OCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512420652 843750626 /nfs/dbraw/zinc/75/06/26/843750626.db2.gz MOINLWZMNYQJEK-DEOSSOPVSA-N 2 1 393.575 3.656 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCN(c4ccccc4)C3)sc2C1 ZINC000433199104 843820379 /nfs/dbraw/zinc/82/03/79/843820379.db2.gz BAUFGJFWNTZGSD-SFHVURJKSA-N 2 1 384.593 3.916 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCN(c4ccccc4)C3)sc2C1 ZINC000433199104 843820387 /nfs/dbraw/zinc/82/03/87/843820387.db2.gz BAUFGJFWNTZGSD-SFHVURJKSA-N 2 1 384.593 3.916 20 0 GHADMP CCc1ccc(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512451171 843842791 /nfs/dbraw/zinc/84/27/91/843842791.db2.gz XODWYWPAWAEJGH-RUZDIDTESA-N 2 1 377.576 3.684 20 0 GHADMP CCOc1c(Br)cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000391447036 843861483 /nfs/dbraw/zinc/86/14/83/843861483.db2.gz CEKYUGXWJVZETH-CABCVRRESA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000391447036 843861492 /nfs/dbraw/zinc/86/14/92/843861492.db2.gz CEKYUGXWJVZETH-CABCVRRESA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000391447036 843861499 /nfs/dbraw/zinc/86/14/99/843861499.db2.gz CEKYUGXWJVZETH-CABCVRRESA-N 2 1 383.330 3.573 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000509762346 843971785 /nfs/dbraw/zinc/97/17/85/843971785.db2.gz MQENJPNVVOZGEZ-BAGYTPMASA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000509762346 843971787 /nfs/dbraw/zinc/97/17/87/843971787.db2.gz MQENJPNVVOZGEZ-BAGYTPMASA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000509762346 843971789 /nfs/dbraw/zinc/97/17/89/843971789.db2.gz MQENJPNVVOZGEZ-BAGYTPMASA-N 2 1 398.595 3.603 20 0 GHADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000625296805 861479709 /nfs/dbraw/zinc/47/97/09/861479709.db2.gz MYXCGKSFMWMTAC-CQSZACIVSA-N 2 1 382.430 3.632 20 0 GHADMP Cc1cc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)ccc1C[NH+](C)C ZINC000458257834 844705149 /nfs/dbraw/zinc/70/51/49/844705149.db2.gz DMURISVYKZWLHA-IAGOWNOFSA-N 2 1 385.474 3.904 20 0 GHADMP c1cc2c(cc[nH+]c2NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[nH]1 ZINC000663942237 845071124 /nfs/dbraw/zinc/07/11/24/845071124.db2.gz RKUCQDBHOVPQRZ-LJQANCHMSA-N 2 1 376.504 3.904 20 0 GHADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433069742 845161744 /nfs/dbraw/zinc/16/17/44/845161744.db2.gz DPSORJUZUKPNLI-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000181630207 845233711 /nfs/dbraw/zinc/23/37/11/845233711.db2.gz BZWXVLXOAYFLEC-ILWGZMRPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630207 845233719 /nfs/dbraw/zinc/23/37/19/845233719.db2.gz BZWXVLXOAYFLEC-ILWGZMRPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630207 845233722 /nfs/dbraw/zinc/23/37/22/845233722.db2.gz BZWXVLXOAYFLEC-ILWGZMRPSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000513362783 845284034 /nfs/dbraw/zinc/28/40/34/845284034.db2.gz DTEHTAITVBWGTC-QFIPXVFZSA-N 2 1 399.583 3.724 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000512740213 845291407 /nfs/dbraw/zinc/29/14/07/845291407.db2.gz NSNYILOWIQAVEJ-RDPSFJRHSA-N 2 1 393.575 3.820 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000512740213 845291417 /nfs/dbraw/zinc/29/14/17/845291417.db2.gz NSNYILOWIQAVEJ-RDPSFJRHSA-N 2 1 393.575 3.820 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2cccs2)no1 ZINC000179392199 861560650 /nfs/dbraw/zinc/56/06/50/861560650.db2.gz CJLJNPWIHSINNY-UHFFFAOYSA-N 2 1 383.521 3.932 20 0 GHADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513406112 845378998 /nfs/dbraw/zinc/37/89/98/845378998.db2.gz NAGPLEHGJNXBCP-GOSISDBHSA-N 2 1 396.535 3.893 20 0 GHADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000513406112 845379007 /nfs/dbraw/zinc/37/90/07/845379007.db2.gz NAGPLEHGJNXBCP-GOSISDBHSA-N 2 1 396.535 3.893 20 0 GHADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433127443 845460509 /nfs/dbraw/zinc/46/05/09/845460509.db2.gz HSQCYGJBZQGKSG-IFMALSPDSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433127445 845460832 /nfs/dbraw/zinc/46/08/32/845460832.db2.gz HSQCYGJBZQGKSG-RBBKRZOGSA-N 2 1 383.580 3.669 20 0 GHADMP COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000513487829 845520011 /nfs/dbraw/zinc/52/00/11/845520011.db2.gz KPCKMSVXLZAAED-QUCCMNQESA-N 2 1 396.531 3.857 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000513560143 845666779 /nfs/dbraw/zinc/66/67/79/845666779.db2.gz LKOLMZKUHDOYTI-QHCPKHFHSA-N 2 1 377.532 3.677 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657310706 846003018 /nfs/dbraw/zinc/00/30/18/846003018.db2.gz RMERNPOHXHMUSQ-UHFFFAOYSA-N 2 1 380.458 3.961 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657311910 846037894 /nfs/dbraw/zinc/03/78/94/846037894.db2.gz ZAQJSKNQTJUDAO-OAHLLOKOSA-N 2 1 380.458 3.961 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657311910 846037904 /nfs/dbraw/zinc/03/79/04/846037904.db2.gz ZAQJSKNQTJUDAO-OAHLLOKOSA-N 2 1 380.458 3.961 20 0 GHADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1c1ccccc1I ZINC000502866748 846572925 /nfs/dbraw/zinc/57/29/25/846572925.db2.gz GGPTXBWIYPMNJO-PBHICJAKSA-N 2 1 384.305 3.912 20 0 GHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000501056994 846588091 /nfs/dbraw/zinc/58/80/91/846588091.db2.gz YBQZNMKCKFCUOW-QGZVFWFLSA-N 2 1 384.499 3.705 20 0 GHADMP CCC[C@@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501068498 846600122 /nfs/dbraw/zinc/60/01/22/846600122.db2.gz MBCMWMIFOQUQIJ-HSZRJFAPSA-N 2 1 394.563 3.887 20 0 GHADMP CSc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501080647 846623005 /nfs/dbraw/zinc/62/30/05/846623005.db2.gz ODSNIYKBBMVPHS-UHFFFAOYSA-N 2 1 384.549 3.590 20 0 GHADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000421855670 846623020 /nfs/dbraw/zinc/62/30/20/846623020.db2.gz NGAUUQZJRCBAHT-OAHLLOKOSA-N 2 1 377.916 3.925 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000421842241 846632147 /nfs/dbraw/zinc/63/21/47/846632147.db2.gz NGLBDEZKJSNNCC-QRWLVFNGSA-N 2 1 376.903 3.767 20 0 GHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1Br ZINC000501101526 846642934 /nfs/dbraw/zinc/64/29/34/846642934.db2.gz NNOFNWMNORQZDU-UHFFFAOYSA-N 2 1 382.390 3.687 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000503032757 846733667 /nfs/dbraw/zinc/73/36/67/846733667.db2.gz LPDFVCHKECCGDM-UHFFFAOYSA-N 2 1 392.712 3.909 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657386697 846800772 /nfs/dbraw/zinc/80/07/72/846800772.db2.gz JJZJJQZTGQMRIK-CTUHWIOQSA-N 2 1 380.532 3.855 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cc(F)ccc3OC(F)F)CC2)nc(C)[nH+]1 ZINC000657390012 846836815 /nfs/dbraw/zinc/83/68/15/846836815.db2.gz RBSRLZRRPUIQGZ-UHFFFAOYSA-N 2 1 380.414 3.593 20 0 GHADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000501427131 846921038 /nfs/dbraw/zinc/92/10/38/846921038.db2.gz VVQLKJUJYMTZPE-UHFFFAOYSA-N 2 1 381.564 3.685 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)c(C(C)C)nc2s1 ZINC000647249398 846956103 /nfs/dbraw/zinc/95/61/03/846956103.db2.gz XNWNWICQTQUELP-MSOLQXFVSA-N 2 1 383.565 3.658 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)c(C(C)C)nc2s1 ZINC000647249398 846956113 /nfs/dbraw/zinc/95/61/13/846956113.db2.gz XNWNWICQTQUELP-MSOLQXFVSA-N 2 1 383.565 3.658 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000559919971 846998888 /nfs/dbraw/zinc/99/88/88/846998888.db2.gz RUAIEOODHSMIDI-WXYTXABISA-N 3 1 387.612 3.909 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC([C@H]4CC[NH2+]C4)CC3)c2c1C ZINC000420261144 847076623 /nfs/dbraw/zinc/07/66/23/847076623.db2.gz OYDRSFXFSRSJRB-SFHVURJKSA-N 2 1 399.608 3.730 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000125039243 847097498 /nfs/dbraw/zinc/09/74/98/847097498.db2.gz YVSOBVQQYZFZNQ-ZWKOTPCHSA-N 2 1 376.508 3.539 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000420322848 847102890 /nfs/dbraw/zinc/10/28/90/847102890.db2.gz SNOKJRWAHHEOHL-KRWDZBQOSA-N 2 1 388.458 3.611 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272682514 847144210 /nfs/dbraw/zinc/14/42/10/847144210.db2.gz SUBMGSYAMSLVPK-WIYYLYMNSA-N 2 1 381.520 3.524 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272682510 847144548 /nfs/dbraw/zinc/14/45/48/847144548.db2.gz SUBMGSYAMSLVPK-NQIIRXRSSA-N 2 1 381.520 3.524 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000501764071 847173602 /nfs/dbraw/zinc/17/36/02/847173602.db2.gz FUPAAPZEDLTDQH-UHFFFAOYSA-N 2 1 388.531 3.582 20 0 GHADMP C[N@@H+](CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000501800843 847201183 /nfs/dbraw/zinc/20/11/83/847201183.db2.gz KQMSYYBDKDHLJC-QHCPKHFHSA-N 2 1 394.563 3.645 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001167575607 847281061 /nfs/dbraw/zinc/28/10/61/847281061.db2.gz DZXQJTLDXAQFGH-OFVILXPXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001167575607 847281070 /nfs/dbraw/zinc/28/10/70/847281070.db2.gz DZXQJTLDXAQFGH-OFVILXPXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001167575607 847281078 /nfs/dbraw/zinc/28/10/78/847281078.db2.gz DZXQJTLDXAQFGH-OFVILXPXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001167575607 847281087 /nfs/dbraw/zinc/28/10/87/847281087.db2.gz DZXQJTLDXAQFGH-OFVILXPXSA-N 2 1 391.559 3.722 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000420891817 847535483 /nfs/dbraw/zinc/53/54/83/847535483.db2.gz NLTVXNHHZWMISI-PLYUQDFWSA-N 2 1 398.595 3.555 20 0 GHADMP c1ccc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000420970252 847598285 /nfs/dbraw/zinc/59/82/85/847598285.db2.gz ZUBRRFUBVGRQQA-CCDWMCETSA-N 2 1 392.543 3.523 20 0 GHADMP c1ccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]3CCOC[C@@H]23)cc1 ZINC000420970252 847598291 /nfs/dbraw/zinc/59/82/91/847598291.db2.gz ZUBRRFUBVGRQQA-CCDWMCETSA-N 2 1 392.543 3.523 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCSCc3ccccc3)CC2)CC1 ZINC000420972396 847599434 /nfs/dbraw/zinc/59/94/34/847599434.db2.gz ATEDTOFYZGQCMD-UHFFFAOYSA-N 2 1 375.626 3.802 20 0 GHADMP OCC[C@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421019661 847642375 /nfs/dbraw/zinc/64/23/75/847642375.db2.gz PYBBRLWZAJKWHA-VXKWHMMOSA-N 2 1 388.596 3.656 20 0 GHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000422625450 847736577 /nfs/dbraw/zinc/73/65/77/847736577.db2.gz BRMLMNPWPQSPOO-IIAWOOMASA-N 2 1 389.341 3.711 20 0 GHADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000422631460 847740752 /nfs/dbraw/zinc/74/07/52/847740752.db2.gz FONFLYHBYWLLNV-GNVZTASGSA-N 2 1 397.588 3.527 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000422631460 847740758 /nfs/dbraw/zinc/74/07/58/847740758.db2.gz FONFLYHBYWLLNV-GNVZTASGSA-N 2 1 397.588 3.527 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422736223 847790621 /nfs/dbraw/zinc/79/06/21/847790621.db2.gz FZBNULDDPWIAAN-HJBWUJCXSA-N 2 1 377.532 3.667 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422736223 847790631 /nfs/dbraw/zinc/79/06/31/847790631.db2.gz FZBNULDDPWIAAN-HJBWUJCXSA-N 2 1 377.532 3.667 20 0 GHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783927 847820836 /nfs/dbraw/zinc/82/08/36/847820836.db2.gz LOOGRDLISFCBIK-VWNXMTODSA-N 2 1 377.532 3.628 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422787095 847822639 /nfs/dbraw/zinc/82/26/39/847822639.db2.gz LVDBZJOMGSBXLU-UPVQGACJSA-N 2 1 379.548 3.874 20 0 GHADMP c1ccc([C@H](CN2CCCC2)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800262 847828837 /nfs/dbraw/zinc/82/88/37/847828837.db2.gz AZXXTNTYQZCFQE-AOHZBQACSA-N 2 1 377.532 3.669 20 0 GHADMP COc1cc(C)c(C[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1OC ZINC000502420104 847877610 /nfs/dbraw/zinc/87/76/10/847877610.db2.gz YJEWDEWDRJITLE-IBGZPJMESA-N 2 1 390.568 3.568 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCOCC1 ZINC000422899354 847877708 /nfs/dbraw/zinc/87/77/08/847877708.db2.gz HESHCGKZCCQAAV-AWEZNQCLSA-N 2 1 375.900 3.555 20 0 GHADMP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422924570 847891762 /nfs/dbraw/zinc/89/17/62/847891762.db2.gz ZAOUUQPQMDELBF-UZLBHIALSA-N 2 1 378.394 3.773 20 0 GHADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1I ZINC000423096054 847977226 /nfs/dbraw/zinc/97/72/26/847977226.db2.gz NWDGYXVADRVHHL-IRXDYDNUSA-N 2 1 378.257 3.834 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(-c4cccs4)s3)cc2)C1 ZINC000657593593 848283094 /nfs/dbraw/zinc/28/30/94/848283094.db2.gz ASYAXTJJJRPKJC-KRWDZBQOSA-N 2 1 385.558 3.728 20 0 GHADMP C[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237475771 848287482 /nfs/dbraw/zinc/28/74/82/848287482.db2.gz XVGGADAOJUFJHV-SELNLUPBSA-N 2 1 379.548 3.871 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596175 848289834 /nfs/dbraw/zinc/28/98/34/848289834.db2.gz MAUTVPLUYNMXCB-CJNGLKHVSA-N 2 1 395.366 3.928 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccncc4)cc3F)cc2)C1 ZINC000657598050 848300760 /nfs/dbraw/zinc/30/07/60/848300760.db2.gz XKLRSBJNXOKJAX-QHCPKHFHSA-N 2 1 391.490 3.744 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000582761642 848314109 /nfs/dbraw/zinc/31/41/09/848314109.db2.gz YEPHHVZQZVXBGZ-HRAATJIYSA-N 2 1 399.502 3.885 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000582862898 848578293 /nfs/dbraw/zinc/57/82/93/848578293.db2.gz WQRCGGMGHNCNLP-KNQAVFIVSA-N 2 1 397.567 3.524 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000582862898 848578303 /nfs/dbraw/zinc/57/83/03/848578303.db2.gz WQRCGGMGHNCNLP-KNQAVFIVSA-N 2 1 397.567 3.524 20 0 GHADMP CCCCCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000731870086 861940701 /nfs/dbraw/zinc/94/07/01/861940701.db2.gz BPYGQYNEIUJJNJ-UHFFFAOYSA-N 2 1 381.511 3.558 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000731870086 861940708 /nfs/dbraw/zinc/94/07/08/861940708.db2.gz BPYGQYNEIUJJNJ-UHFFFAOYSA-N 2 1 381.511 3.558 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511230854 848998955 /nfs/dbraw/zinc/99/89/55/848998955.db2.gz GOWPUCBSBWYXRX-SVFBPWRDSA-N 2 1 378.605 3.593 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230854 848998961 /nfs/dbraw/zinc/99/89/61/848998961.db2.gz GOWPUCBSBWYXRX-SVFBPWRDSA-N 2 1 378.605 3.593 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230854 848998969 /nfs/dbraw/zinc/99/89/69/848998969.db2.gz GOWPUCBSBWYXRX-SVFBPWRDSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000079945785 849432319 /nfs/dbraw/zinc/43/23/19/849432319.db2.gz WKCJYXQDERWNAQ-FCEUIQTBSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000079945785 849432323 /nfs/dbraw/zinc/43/23/23/849432323.db2.gz WKCJYXQDERWNAQ-FCEUIQTBSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000079945785 849432329 /nfs/dbraw/zinc/43/23/29/849432329.db2.gz WKCJYXQDERWNAQ-FCEUIQTBSA-N 2 1 383.580 3.810 20 0 GHADMP [NH3+]C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CCCCC1 ZINC000414854764 849787710 /nfs/dbraw/zinc/78/77/10/849787710.db2.gz VKPBBRWGWGRUNV-FQEVSTJZSA-N 2 1 394.401 3.911 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000423343868 849862385 /nfs/dbraw/zinc/86/23/85/849862385.db2.gz WHVGOCNXNMBKJG-LHXUXXTBSA-N 2 1 393.575 3.783 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583422687 849869693 /nfs/dbraw/zinc/86/96/93/849869693.db2.gz ZDJPUVOMDXFAPB-SNFJGFPHSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583422687 849869697 /nfs/dbraw/zinc/86/96/97/849869697.db2.gz ZDJPUVOMDXFAPB-SNFJGFPHSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCCC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000583422687 849869701 /nfs/dbraw/zinc/86/97/01/849869701.db2.gz ZDJPUVOMDXFAPB-SNFJGFPHSA-N 2 1 392.628 3.798 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC3([NH3+])CCC3)s2)cc1OC ZINC000423342614 849875436 /nfs/dbraw/zinc/87/54/36/849875436.db2.gz ZAVVLRAKTNGDTB-CYBMUJFWSA-N 2 1 375.538 3.592 20 0 GHADMP C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000423471502 849938383 /nfs/dbraw/zinc/93/83/83/849938383.db2.gz MIGPLTGDLSWPJD-NSXLHWASSA-N 2 1 399.554 3.810 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)C1 ZINC000414746934 849939902 /nfs/dbraw/zinc/93/99/02/849939902.db2.gz MIALAVIVGUNCTD-INIZCTEOSA-N 2 1 397.485 3.647 20 0 GHADMP Fc1ccc(C([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccc(F)cc2)cc1 ZINC000423512237 849962327 /nfs/dbraw/zinc/96/23/27/849962327.db2.gz OLJPDQHTIZHFQR-UHFFFAOYSA-N 2 1 385.502 3.860 20 0 GHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423515321 849963290 /nfs/dbraw/zinc/96/32/90/849963290.db2.gz VBWUJSMLNFBERJ-FAFZWHIHSA-N 2 1 385.474 3.842 20 0 GHADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[C@@H](C)[NH3+] ZINC000423741953 850040390 /nfs/dbraw/zinc/04/03/90/850040390.db2.gz IMUWNZNBPNEVNJ-BEFAXECRSA-N 2 1 399.501 3.748 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000504418593 850065520 /nfs/dbraw/zinc/06/55/20/850065520.db2.gz KTVFDHBTLKZYAI-UNMCSNQZSA-N 2 1 388.600 3.657 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000504560999 850147226 /nfs/dbraw/zinc/14/72/26/850147226.db2.gz MQCBZGAQPCGBKO-NRFANRHFSA-N 2 1 389.609 3.620 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743184 850225715 /nfs/dbraw/zinc/22/57/15/850225715.db2.gz UHUIBKHHBNVZAP-PKTZIBPZSA-N 2 1 396.531 3.671 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2)cc1 ZINC000424298955 850341772 /nfs/dbraw/zinc/34/17/72/850341772.db2.gz UXZJLGLTLWLQFX-LJQANCHMSA-N 2 1 398.572 3.792 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc2)cc1 ZINC000424298955 850341783 /nfs/dbraw/zinc/34/17/83/850341783.db2.gz UXZJLGLTLWLQFX-LJQANCHMSA-N 2 1 398.572 3.792 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424283789 850354226 /nfs/dbraw/zinc/35/42/26/850354226.db2.gz CBUPMCKPKVDJSD-LBPRGKRZSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424336926 850396181 /nfs/dbraw/zinc/39/61/81/850396181.db2.gz ZIKCKWHLLMYYOL-URXFXBBRSA-N 2 1 393.575 3.626 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424336926 850396194 /nfs/dbraw/zinc/39/61/94/850396194.db2.gz ZIKCKWHLLMYYOL-URXFXBBRSA-N 2 1 393.575 3.626 20 0 GHADMP CCOc1c(Br)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424382418 850420648 /nfs/dbraw/zinc/42/06/48/850420648.db2.gz SEOXACMVJAJHJI-CQSZACIVSA-N 2 1 397.357 3.820 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000518978812 850447433 /nfs/dbraw/zinc/44/74/33/850447433.db2.gz DPHNKUAEXMMQKF-RBBKRZOGSA-N 2 1 386.584 3.777 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000504982885 850500859 /nfs/dbraw/zinc/50/08/59/850500859.db2.gz KWIZCDSMCRIWLS-SFHVURJKSA-N 2 1 394.629 3.504 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000504982885 850500874 /nfs/dbraw/zinc/50/08/74/850500874.db2.gz KWIZCDSMCRIWLS-SFHVURJKSA-N 2 1 394.629 3.504 20 0 GHADMP Cn1ccnc1C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430698 850513852 /nfs/dbraw/zinc/51/38/52/850513852.db2.gz DYQUSBFOQCSMTG-JOCHJYFZSA-N 2 1 387.531 3.626 20 0 GHADMP Cn1ccnc1C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430698 850513858 /nfs/dbraw/zinc/51/38/58/850513858.db2.gz DYQUSBFOQCSMTG-JOCHJYFZSA-N 2 1 387.531 3.626 20 0 GHADMP CC(C)[C@H]1CN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC[N@H+]1C ZINC000487234503 850588072 /nfs/dbraw/zinc/58/80/72/850588072.db2.gz IPDRMPNCSHZWIK-JOCHJYFZSA-N 2 1 386.584 3.765 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Br)[C@H](C)C1 ZINC000481738753 862163160 /nfs/dbraw/zinc/16/31/60/862163160.db2.gz FQMKRDMLCXCFAI-APWZRJJASA-N 2 1 383.374 3.718 20 0 GHADMP CC(C)[N@H+](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000519226212 850761906 /nfs/dbraw/zinc/76/19/06/850761906.db2.gz QQPBZYCLOASITH-UHFFFAOYSA-N 2 1 391.559 3.793 20 0 GHADMP CC(C)[N@@H+](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CC1 ZINC000519226212 850761909 /nfs/dbraw/zinc/76/19/09/850761909.db2.gz QQPBZYCLOASITH-UHFFFAOYSA-N 2 1 391.559 3.793 20 0 GHADMP Cc1cccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000435696466 850778457 /nfs/dbraw/zinc/77/84/57/850778457.db2.gz PWVYAJUXOPSZIU-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1cccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000435696466 850778466 /nfs/dbraw/zinc/77/84/66/850778466.db2.gz PWVYAJUXOPSZIU-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638678414 850811298 /nfs/dbraw/zinc/81/12/98/850811298.db2.gz BIPWQMLVFOEYCN-FYYLOGMGSA-N 2 1 377.532 3.546 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638678414 850811305 /nfs/dbraw/zinc/81/13/05/850811305.db2.gz BIPWQMLVFOEYCN-FYYLOGMGSA-N 2 1 377.532 3.546 20 0 GHADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000604388760 862172143 /nfs/dbraw/zinc/17/21/43/862172143.db2.gz CFPKGLZJMWVRKU-DEOSSOPVSA-N 2 1 393.575 3.504 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000604388760 862172158 /nfs/dbraw/zinc/17/21/58/862172158.db2.gz CFPKGLZJMWVRKU-DEOSSOPVSA-N 2 1 393.575 3.504 20 0 GHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414874495 850925958 /nfs/dbraw/zinc/92/59/58/850925958.db2.gz HYTOMFKNIBUOTE-CQSZACIVSA-N 2 1 380.305 3.684 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000487882017 850949606 /nfs/dbraw/zinc/94/96/06/850949606.db2.gz PRLXQNSIXWBVAQ-XMMPIXPASA-N 2 1 394.563 3.602 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000519383350 850989977 /nfs/dbraw/zinc/98/99/77/850989977.db2.gz RQJMMVGPECNRPK-GPMSIDNRSA-N 2 1 380.964 3.505 20 0 GHADMP CCC1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514017142 851124463 /nfs/dbraw/zinc/12/44/63/851124463.db2.gz DVWLDYOIYORTGQ-YADHBBJMSA-N 2 1 398.595 3.605 20 0 GHADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000569979429 851150117 /nfs/dbraw/zinc/15/01/17/851150117.db2.gz SZLCOFOFJPWASH-GOTSBHOMSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000569979429 851150122 /nfs/dbraw/zinc/15/01/22/851150122.db2.gz SZLCOFOFJPWASH-GOTSBHOMSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000569979429 851150126 /nfs/dbraw/zinc/15/01/26/851150126.db2.gz SZLCOFOFJPWASH-GOTSBHOMSA-N 2 1 387.531 3.530 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c[nH]nc3-c3ccsc3)c2)CCO1 ZINC000436281589 851402984 /nfs/dbraw/zinc/40/29/84/851402984.db2.gz QAWLPHQFHIWQIY-MRXNPFEDSA-N 2 1 382.533 3.649 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c[nH]nc3-c3ccsc3)c2)CCO1 ZINC000436281589 851402988 /nfs/dbraw/zinc/40/29/88/851402988.db2.gz QAWLPHQFHIWQIY-MRXNPFEDSA-N 2 1 382.533 3.649 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000436291293 851425992 /nfs/dbraw/zinc/42/59/92/851425992.db2.gz PVQXBPDGRLOPJX-GOTSBHOMSA-N 2 1 377.532 3.500 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434671713 851462918 /nfs/dbraw/zinc/46/29/18/851462918.db2.gz VUSGTNUVNULLBE-UHFFFAOYSA-N 2 1 396.535 3.826 20 0 GHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1Br ZINC001167970520 851473353 /nfs/dbraw/zinc/47/33/53/851473353.db2.gz MEWAROFJSMRCBS-ALOPSCKCSA-N 2 1 379.342 3.953 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000048829563 851525393 /nfs/dbraw/zinc/52/53/93/851525393.db2.gz MOPYCESMOWWLME-UHFFFAOYSA-N 2 1 382.552 3.588 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000111240853 851578483 /nfs/dbraw/zinc/57/84/83/851578483.db2.gz WCQSAMWJYSVEQB-HNNXBMFYSA-N 2 1 375.340 3.539 20 0 GHADMP Cc1ccc(C2CC([NH2+]Cc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)C2)cc1 ZINC000180642094 862262629 /nfs/dbraw/zinc/26/26/29/862262629.db2.gz XMNCGCDLHMYWSL-BOMBAVFCSA-N 2 1 391.559 3.728 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000111814054 851954281 /nfs/dbraw/zinc/95/42/81/851954281.db2.gz MIKVNVSKVLFTLC-IBGZPJMESA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517652748 852208673 /nfs/dbraw/zinc/20/86/73/852208673.db2.gz XWNINKMQUQBCKA-KRWDZBQOSA-N 2 1 396.535 3.537 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261122 852257796 /nfs/dbraw/zinc/25/77/96/852257796.db2.gz ALSRTUUCDFCGEM-DHIUTWEWSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261122 852257808 /nfs/dbraw/zinc/25/78/08/852257808.db2.gz ALSRTUUCDFCGEM-DHIUTWEWSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261122 852257818 /nfs/dbraw/zinc/25/78/18/852257818.db2.gz ALSRTUUCDFCGEM-DHIUTWEWSA-N 2 1 377.532 3.846 20 0 GHADMP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000489635686 852499834 /nfs/dbraw/zinc/49/98/34/852499834.db2.gz QXHSEERHAKDVIQ-IBGZPJMESA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414935429 852581112 /nfs/dbraw/zinc/58/11/12/852581112.db2.gz GBDXVAMGIMSIKG-RDTXWAMCSA-N 2 1 390.325 3.511 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000489850760 852607414 /nfs/dbraw/zinc/60/74/14/852607414.db2.gz VCJFTCTZWWDUEL-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000489982450 852706118 /nfs/dbraw/zinc/70/61/18/852706118.db2.gz PYGQITAYJGOPCX-GOTSBHOMSA-N 2 1 379.548 3.941 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000489982450 852706126 /nfs/dbraw/zinc/70/61/26/852706126.db2.gz PYGQITAYJGOPCX-GOTSBHOMSA-N 2 1 379.548 3.941 20 0 GHADMP COc1cccc([C@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000427089875 852716834 /nfs/dbraw/zinc/71/68/34/852716834.db2.gz RJHMZCPZODEKCO-VXKWHMMOSA-N 2 1 399.579 3.601 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000437084974 852735821 /nfs/dbraw/zinc/73/58/21/852735821.db2.gz YLGZBYMLBVRPLW-LMCOJAPRSA-N 2 1 384.486 3.970 20 0 GHADMP C[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167986201 853016261 /nfs/dbraw/zinc/01/62/61/853016261.db2.gz AZFKJUUTPRVQQP-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167986201 853016269 /nfs/dbraw/zinc/01/62/69/853016269.db2.gz AZFKJUUTPRVQQP-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167986201 853016277 /nfs/dbraw/zinc/01/62/77/853016277.db2.gz AZFKJUUTPRVQQP-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP Cc1ccc(OCCC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1C ZINC000518224418 853098013 /nfs/dbraw/zinc/09/80/13/853098013.db2.gz WTAGESYRWLWDLT-UHFFFAOYSA-N 2 1 395.591 3.822 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000414905236 853129429 /nfs/dbraw/zinc/12/94/29/853129429.db2.gz OFCSTSJTAMIRFF-DFQSSKMNSA-N 2 1 381.524 3.646 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000518407004 853308344 /nfs/dbraw/zinc/30/83/44/853308344.db2.gz UVCFPQYVJFCGIS-VOQZNFBZSA-N 2 1 398.526 3.563 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000426288538 853342040 /nfs/dbraw/zinc/34/20/40/853342040.db2.gz JKJGCXQIYJCMRH-OFNKIYASSA-N 2 1 384.495 3.651 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1CCCC[C@@H]1C ZINC000490953241 853362701 /nfs/dbraw/zinc/36/27/01/853362701.db2.gz JFMCFTXWIOTGQH-ROUUACIJSA-N 2 1 390.597 3.620 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1CCCC[C@@H]1C ZINC000490953241 853362710 /nfs/dbraw/zinc/36/27/10/853362710.db2.gz JFMCFTXWIOTGQH-ROUUACIJSA-N 2 1 390.597 3.620 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1=O ZINC000426299816 853387264 /nfs/dbraw/zinc/38/72/64/853387264.db2.gz ATSMJEDLRGZUFL-NUNAXRQHSA-N 2 1 387.527 3.824 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1=O ZINC000426299816 853387270 /nfs/dbraw/zinc/38/72/70/853387270.db2.gz ATSMJEDLRGZUFL-NUNAXRQHSA-N 2 1 387.527 3.824 20 0 GHADMP Cc1ccc(C)c([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2)c1 ZINC000491051417 853426546 /nfs/dbraw/zinc/42/65/46/853426546.db2.gz JCSPJQYPVCBQCE-FYYLOGMGSA-N 2 1 379.548 3.570 20 0 GHADMP Cc1ccc(C)c([C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2)c1 ZINC000491051417 853426553 /nfs/dbraw/zinc/42/65/53/853426553.db2.gz JCSPJQYPVCBQCE-FYYLOGMGSA-N 2 1 379.548 3.570 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518507879 853441377 /nfs/dbraw/zinc/44/13/77/853441377.db2.gz NBUZZYZZOFPFNB-CDPNLFKUSA-N 2 1 394.559 3.907 20 0 GHADMP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1OC(F)F ZINC000414994418 853535348 /nfs/dbraw/zinc/53/53/48/853535348.db2.gz DOOPHJPAYAGIPZ-FUHWJXTLSA-N 2 1 394.437 3.919 20 0 GHADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000604785373 862480660 /nfs/dbraw/zinc/48/06/60/862480660.db2.gz HMKMCYAWCPSAFS-XUVXKRRUSA-N 2 1 386.584 3.774 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ncccc2OCc2ccccc2)no1 ZINC001212145429 853717235 /nfs/dbraw/zinc/71/72/35/853717235.db2.gz UQIMNHINXVAQCP-SFHVURJKSA-N 2 1 395.507 3.879 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nc1 ZINC000571074069 853731441 /nfs/dbraw/zinc/73/14/41/853731441.db2.gz FQWMJVKQCWKYKR-UHFFFAOYSA-N 2 1 392.503 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CC1 ZINC001167988983 853803838 /nfs/dbraw/zinc/80/38/38/853803838.db2.gz WGDZZPCDXICAQK-YOFSQIOKSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CC1 ZINC001167988983 853803842 /nfs/dbraw/zinc/80/38/42/853803842.db2.gz WGDZZPCDXICAQK-YOFSQIOKSA-N 2 1 389.584 3.725 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[NH+](C)C)cc1 ZINC000520108720 853851872 /nfs/dbraw/zinc/85/18/72/853851872.db2.gz TXENBHPEDWVNAY-GGAORHGYSA-N 2 1 397.538 3.765 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)C2)CC1 ZINC000520307005 854052093 /nfs/dbraw/zinc/05/20/93/854052093.db2.gz QAIADJPJIGPYIG-GHTZIAJQSA-N 2 1 391.987 3.913 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263655 854165046 /nfs/dbraw/zinc/16/50/46/854165046.db2.gz LKZKTJKKSWRSMC-AKIFATBCSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263655 854165057 /nfs/dbraw/zinc/16/50/57/854165057.db2.gz LKZKTJKKSWRSMC-AKIFATBCSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263655 854165063 /nfs/dbraw/zinc/16/50/63/854165063.db2.gz LKZKTJKKSWRSMC-AKIFATBCSA-N 2 1 395.522 3.599 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000571898147 854178927 /nfs/dbraw/zinc/17/89/27/854178927.db2.gz JKQFIRRBWWQZGP-FSSWDIPSSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000571898147 854178931 /nfs/dbraw/zinc/17/89/31/854178931.db2.gz JKQFIRRBWWQZGP-FSSWDIPSSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000571898147 854178934 /nfs/dbraw/zinc/17/89/34/854178934.db2.gz JKQFIRRBWWQZGP-FSSWDIPSSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000588710273 854368663 /nfs/dbraw/zinc/36/86/63/854368663.db2.gz JAUUSZKGGCLPCQ-HDICACEKSA-N 2 1 380.960 3.930 20 0 GHADMP CC(C)(C)OC(=O)NC1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995398 854448104 /nfs/dbraw/zinc/44/81/04/854448104.db2.gz DLDLRWDUUCRWBA-DFNIBXOVSA-N 2 1 377.573 3.771 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([NH2+]C3CCN(c4[nH+]cccc4C)CC3)CCO2)cc1 ZINC001168602218 854647057 /nfs/dbraw/zinc/64/70/57/854647057.db2.gz RPRRNSIBLCTJJU-RBBKRZOGSA-N 2 1 381.520 3.877 20 0 GHADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765791585 854820216 /nfs/dbraw/zinc/82/02/16/854820216.db2.gz NPHZJGZVJNXLAU-LEWJYISDSA-N 2 1 386.486 3.571 20 0 GHADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765791585 854820219 /nfs/dbraw/zinc/82/02/19/854820219.db2.gz NPHZJGZVJNXLAU-LEWJYISDSA-N 2 1 386.486 3.571 20 0 GHADMP Brc1ccc(/C=C/CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000624046918 862612812 /nfs/dbraw/zinc/61/28/12/862612812.db2.gz PWFOYEJYPSPYKE-VUQTYRPGSA-N 2 1 379.342 3.695 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441448934 854903867 /nfs/dbraw/zinc/90/38/67/854903867.db2.gz MDAJFZPJZJAESY-DOTOQJQBSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441448934 854903873 /nfs/dbraw/zinc/90/38/73/854903873.db2.gz MDAJFZPJZJAESY-DOTOQJQBSA-N 2 1 387.351 3.541 20 0 GHADMP CCC[NH+]1CCC([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000624106282 862659900 /nfs/dbraw/zinc/65/99/00/862659900.db2.gz VOQZZZVXSYVXBF-HSZRJFAPSA-N 2 1 377.532 3.848 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590147020 855298025 /nfs/dbraw/zinc/29/80/25/855298025.db2.gz CUKPFCFJSSBFSZ-RBBKRZOGSA-N 2 1 386.584 3.777 20 0 GHADMP c1ccc2c(c1)ncnc2OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001466 855445660 /nfs/dbraw/zinc/44/56/60/855445660.db2.gz CBNDAMLYOBZYKF-YOFSQIOKSA-N 2 1 392.547 3.878 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21 ZINC001168001877 855530376 /nfs/dbraw/zinc/53/03/76/855530376.db2.gz JXTNJUSRUYHSNV-RBGXYZBUSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21 ZINC001168001877 855530380 /nfs/dbraw/zinc/53/03/80/855530380.db2.gz JXTNJUSRUYHSNV-RBGXYZBUSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21 ZINC001168001877 855530384 /nfs/dbraw/zinc/53/03/84/855530384.db2.gz JXTNJUSRUYHSNV-RBGXYZBUSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000590787312 855585778 /nfs/dbraw/zinc/58/57/78/855585778.db2.gz ZKIWQIQYXGHUKF-HXUWFJFHSA-N 2 1 385.596 3.866 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)O[C@H](C)C2 ZINC000590798618 855592229 /nfs/dbraw/zinc/59/22/29/855592229.db2.gz LHKIVILHTBMMRE-QUCCMNQESA-N 2 1 380.532 3.673 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)O[C@H](C)C2 ZINC000590798618 855592237 /nfs/dbraw/zinc/59/22/37/855592237.db2.gz LHKIVILHTBMMRE-QUCCMNQESA-N 2 1 380.532 3.673 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000057887181 855768751 /nfs/dbraw/zinc/76/87/51/855768751.db2.gz UJRNVBMLNMGYGX-LJQANCHMSA-N 2 1 394.563 3.784 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000482139386 862725732 /nfs/dbraw/zinc/72/57/32/862725732.db2.gz DCNYEVURSOMOKL-RDJZCZTQSA-N 2 1 396.373 3.878 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)C2)CC1 ZINC000573112660 855847995 /nfs/dbraw/zinc/84/79/95/855847995.db2.gz GZRFKMQQSDIYNO-AREMUKBSSA-N 2 1 391.603 3.800 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573079042 855856484 /nfs/dbraw/zinc/85/64/84/855856484.db2.gz PNUPGXDGDKZSQW-JTHBVZDNSA-N 3 1 387.531 3.530 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(OC)c1OCc1ccccc1 ZINC000108428498 855871600 /nfs/dbraw/zinc/87/16/00/855871600.db2.gz XBPFRLMZFGHTHI-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OCc1ccccc1 ZINC000108428498 855871613 /nfs/dbraw/zinc/87/16/13/855871613.db2.gz XBPFRLMZFGHTHI-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OCc1ccccc1 ZINC000108428500 855872038 /nfs/dbraw/zinc/87/20/38/855872038.db2.gz XBPFRLMZFGHTHI-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OCc1ccccc1 ZINC000108428500 855872042 /nfs/dbraw/zinc/87/20/42/855872042.db2.gz XBPFRLMZFGHTHI-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)cs1 ZINC000921724882 856062326 /nfs/dbraw/zinc/06/23/26/856062326.db2.gz LUZDNFWXJKBXGY-IPMKNSEASA-N 2 1 377.598 3.712 20 0 GHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000542840846 856107781 /nfs/dbraw/zinc/10/77/81/856107781.db2.gz UEOLKJBMEWWCFH-UKRRQHHQSA-N 2 1 384.364 3.942 20 0 GHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000542840846 856107784 /nfs/dbraw/zinc/10/77/84/856107784.db2.gz UEOLKJBMEWWCFH-UKRRQHHQSA-N 2 1 384.364 3.942 20 0 GHADMP C[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000303856342 856185111 /nfs/dbraw/zinc/18/51/11/856185111.db2.gz FQRWLGJZLSFDJY-OAQYLSRUSA-N 2 1 379.548 3.537 20 0 GHADMP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000520751413 856339917 /nfs/dbraw/zinc/33/99/17/856339917.db2.gz BBRNQYTXWRPSNT-FGTMMUONSA-N 2 1 391.987 3.930 20 0 GHADMP O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485474833 856638052 /nfs/dbraw/zinc/63/80/52/856638052.db2.gz DLMAEIIFDVSADS-QHCPKHFHSA-N 2 1 389.543 3.928 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000482246417 862837535 /nfs/dbraw/zinc/83/75/35/862837535.db2.gz QHNYNGKUMKMREW-GAJHUEQPSA-N 2 1 386.511 3.806 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1SC ZINC000508044704 856849231 /nfs/dbraw/zinc/84/92/31/856849231.db2.gz MCBWESFQDACXNH-MSOLQXFVSA-N 2 1 392.613 3.527 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000485667698 856902741 /nfs/dbraw/zinc/90/27/41/856902741.db2.gz GZEAMGSFUGSPNO-QGZVFWFLSA-N 2 1 379.932 3.628 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111847986 857026807 /nfs/dbraw/zinc/02/68/07/857026807.db2.gz NNHXOBMKPLLTGP-NOTZXAQLSA-N 2 1 398.595 3.746 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658230856 857099062 /nfs/dbraw/zinc/09/90/62/857099062.db2.gz ANBPMPYFUPITGA-LKTXNROYSA-N 2 1 378.564 3.917 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000665257657 857148364 /nfs/dbraw/zinc/14/83/64/857148364.db2.gz PHNYVMRROHVJJO-NLSFWIRASA-N 2 1 385.527 3.562 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000520814335 857229422 /nfs/dbraw/zinc/22/94/22/857229422.db2.gz XQMYXAPQNBTLKY-OHQAAIJDSA-N 2 1 396.362 3.716 20 0 GHADMP Clc1nc(Cl)c(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279170556 857252015 /nfs/dbraw/zinc/25/20/15/857252015.db2.gz AVBHTWXVQRVALX-BETUJISGSA-N 2 1 386.352 3.517 20 0 GHADMP Clc1nc(Cl)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279170556 857252022 /nfs/dbraw/zinc/25/20/22/857252022.db2.gz AVBHTWXVQRVALX-BETUJISGSA-N 2 1 386.352 3.517 20 0 GHADMP Clc1nc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279170556 857252030 /nfs/dbraw/zinc/25/20/30/857252030.db2.gz AVBHTWXVQRVALX-BETUJISGSA-N 2 1 386.352 3.517 20 0 GHADMP Clc1nc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279170556 857252037 /nfs/dbraw/zinc/25/20/37/857252037.db2.gz AVBHTWXVQRVALX-BETUJISGSA-N 2 1 386.352 3.517 20 0 GHADMP Clc1nc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279170556 857252044 /nfs/dbraw/zinc/25/20/44/857252044.db2.gz AVBHTWXVQRVALX-BETUJISGSA-N 2 1 386.352 3.517 20 0 GHADMP CC[C@@H]1Cc2ccccc2CN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000574171954 857315761 /nfs/dbraw/zinc/31/57/61/857315761.db2.gz WUIRNWTVTFKWKB-JOCHJYFZSA-N 2 1 383.580 3.546 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061311 857405038 /nfs/dbraw/zinc/40/50/38/857405038.db2.gz FGZMEGBQAAULTH-QFIPXVFZSA-N 2 1 397.538 3.676 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061311 857405049 /nfs/dbraw/zinc/40/50/49/857405049.db2.gz FGZMEGBQAAULTH-QFIPXVFZSA-N 2 1 397.538 3.676 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)Cc1ccccc1 ZINC000060061311 857405056 /nfs/dbraw/zinc/40/50/56/857405056.db2.gz FGZMEGBQAAULTH-QFIPXVFZSA-N 2 1 397.538 3.676 20 0 GHADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000486099742 857427728 /nfs/dbraw/zinc/42/77/28/857427728.db2.gz KRXJRNOYPMXYDB-NZQKXSOJSA-N 2 1 393.575 3.754 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(F)c(F)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000520952477 857432558 /nfs/dbraw/zinc/43/25/58/857432558.db2.gz VCAIBKTXWUFWGA-HXUWFJFHSA-N 2 1 377.454 3.572 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000520957661 857437520 /nfs/dbraw/zinc/43/75/20/857437520.db2.gz QRLNXXAMCZQXBL-AWEZNQCLSA-N 2 1 381.320 3.853 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391797 857444984 /nfs/dbraw/zinc/44/49/84/857444984.db2.gz CWMMGRZZBDTQQC-WOJBJXKFSA-N 2 1 388.939 3.582 20 0 GHADMP CCN(C(=O)N[C@H](C)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000675536422 857489535 /nfs/dbraw/zinc/48/95/35/857489535.db2.gz KPDKLWNGFQKFDB-DXIQSLLYSA-N 2 1 386.584 3.584 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1I ZINC000593320548 857526967 /nfs/dbraw/zinc/52/69/67/857526967.db2.gz SZMDQXULFPRIFU-NSHDSACASA-N 2 1 384.236 3.740 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486225184 857553457 /nfs/dbraw/zinc/55/34/57/857553457.db2.gz BQGOWEDTFORRML-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H](C)C1 ZINC000675773877 857605830 /nfs/dbraw/zinc/60/58/30/857605830.db2.gz GBKGKNZGBYYGRI-SPEDKVCISA-N 2 1 395.538 3.518 20 0 GHADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000486271138 857608610 /nfs/dbraw/zinc/60/86/10/857608610.db2.gz ZHODAFFVWJMOKW-HXUWFJFHSA-N 2 1 377.960 3.543 20 0 GHADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)C1CCCCC1 ZINC000063333835 857610867 /nfs/dbraw/zinc/61/08/67/857610867.db2.gz WKDIZNXSZZWKKI-UHFFFAOYSA-N 2 1 378.605 3.595 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(C(C)(C)C)s2)[C@@H](c2ccccc2)C1 ZINC000063512182 857625366 /nfs/dbraw/zinc/62/53/66/857625366.db2.gz DRJYXBLKAOEYIC-HXUWFJFHSA-N 2 1 386.609 3.909 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000675880218 857658421 /nfs/dbraw/zinc/65/84/21/857658421.db2.gz CAXFDUCEIISRJJ-DNVCBOLYSA-N 2 1 386.458 3.922 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000521163184 857687262 /nfs/dbraw/zinc/68/72/62/857687262.db2.gz GRTJLGQPSVTOEF-OFNKIYASSA-N 2 1 394.563 3.643 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000064521013 857718781 /nfs/dbraw/zinc/71/87/81/857718781.db2.gz MJEHWDZZIVVYIC-IRLDBZIGSA-N 2 1 397.588 3.741 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000064521013 857718786 /nfs/dbraw/zinc/71/87/86/857718786.db2.gz MJEHWDZZIVVYIC-IRLDBZIGSA-N 2 1 397.588 3.741 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000064521013 857718790 /nfs/dbraw/zinc/71/87/90/857718790.db2.gz MJEHWDZZIVVYIC-IRLDBZIGSA-N 2 1 397.588 3.741 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000676221011 857784528 /nfs/dbraw/zinc/78/45/28/857784528.db2.gz FQIQOJUROIXVJJ-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000676221011 857784532 /nfs/dbraw/zinc/78/45/32/857784532.db2.gz FQIQOJUROIXVJJ-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000804128919 857818115 /nfs/dbraw/zinc/81/81/15/857818115.db2.gz VCLSRDQMXSYJSL-IBGZPJMESA-N 2 1 376.932 3.824 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000804128919 857818127 /nfs/dbraw/zinc/81/81/27/857818127.db2.gz VCLSRDQMXSYJSL-IBGZPJMESA-N 2 1 376.932 3.824 20 0 GHADMP CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000593963991 857832672 /nfs/dbraw/zinc/83/26/72/857832672.db2.gz WHXYPPWEFHPMBI-QFIPXVFZSA-N 2 1 383.536 3.802 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccco1 ZINC000574427649 857883334 /nfs/dbraw/zinc/88/33/34/857883334.db2.gz CNHWMQTXUKMPKF-POZUXBRTSA-N 2 1 377.916 3.781 20 0 GHADMP COC(=O)c1ccc(F)c(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000574452671 857891743 /nfs/dbraw/zinc/89/17/43/857891743.db2.gz JGOLZNNJJNDIJP-IBGZPJMESA-N 2 1 388.508 3.818 20 0 GHADMP COC(=O)c1ccc(F)c(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000574452671 857891751 /nfs/dbraw/zinc/89/17/51/857891751.db2.gz JGOLZNNJJNDIJP-IBGZPJMESA-N 2 1 388.508 3.818 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676477933 857899278 /nfs/dbraw/zinc/89/92/78/857899278.db2.gz PJNOZIMLJKCDGK-NSHGMRRFSA-N 2 1 376.504 3.939 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@H](n2ccnc2)C1 ZINC000676477933 857899286 /nfs/dbraw/zinc/89/92/86/857899286.db2.gz PJNOZIMLJKCDGK-NSHGMRRFSA-N 2 1 376.504 3.939 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000521461480 858004242 /nfs/dbraw/zinc/00/42/42/858004242.db2.gz ORLPALNOCDZFDI-UYAOXDASSA-N 2 1 377.598 3.587 20 0 GHADMP CCc1nc(C[NH2+]Cc2ccc(OCC[NH+](CC)CC)c(OC)c2)cs1 ZINC000067213993 858009489 /nfs/dbraw/zinc/00/94/89/858009489.db2.gz JGUILMBHXXRHPT-UHFFFAOYSA-N 2 1 377.554 3.725 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)cc2)CC1 ZINC000521595303 858157923 /nfs/dbraw/zinc/15/79/23/858157923.db2.gz CTAAPMVVTGTFBN-JOCHJYFZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000442859583 858180520 /nfs/dbraw/zinc/18/05/20/858180520.db2.gz ANWRGXCAWUSLLO-CABCVRRESA-N 2 1 388.383 3.765 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3sccc3C[NH+](C)C)C2)s1 ZINC000521634424 858182736 /nfs/dbraw/zinc/18/27/36/858182736.db2.gz VHBZXHZZAZOIRA-INIZCTEOSA-N 2 1 391.606 3.774 20 0 GHADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)cc(Br)c1 ZINC000442872551 858189720 /nfs/dbraw/zinc/18/97/20/858189720.db2.gz JSIGGQYPGHFZSM-KRWDZBQOSA-N 2 1 386.353 3.655 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000442919025 858243280 /nfs/dbraw/zinc/24/32/80/858243280.db2.gz DPENUXWFNSLTCT-OAHLLOKOSA-N 2 1 376.501 3.528 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000442919025 858243286 /nfs/dbraw/zinc/24/32/86/858243286.db2.gz DPENUXWFNSLTCT-OAHLLOKOSA-N 2 1 376.501 3.528 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CCC[C@H](CC[NH3+])C4)cc3)nc12 ZINC000442919865 858243867 /nfs/dbraw/zinc/24/38/67/858243867.db2.gz JTPOPMYQQXZFCQ-LJQANCHMSA-N 2 1 378.520 3.783 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543088279 858276857 /nfs/dbraw/zinc/27/68/57/858276857.db2.gz IRDRBIPFKSPRSJ-QUCCMNQESA-N 2 1 381.923 3.603 20 0 GHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)c1 ZINC000443056824 858342322 /nfs/dbraw/zinc/34/23/22/858342322.db2.gz DFSAEAIEGOWOHC-QGZVFWFLSA-N 2 1 386.565 3.502 20 0 GHADMP COc1ccc(OCc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000574989607 858485117 /nfs/dbraw/zinc/48/51/17/858485117.db2.gz ZHKCZEUJDKORGG-DLBZAZTESA-N 2 1 387.549 3.552 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000595463222 858538580 /nfs/dbraw/zinc/53/85/80/858538580.db2.gz QFXITTVLEQJAKZ-LEWJYISDSA-N 2 1 399.579 3.640 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474058631 858741522 /nfs/dbraw/zinc/74/15/22/858741522.db2.gz YTBNLDCSJMHOGI-XKCSPQBFSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474058631 858741530 /nfs/dbraw/zinc/74/15/30/858741530.db2.gz YTBNLDCSJMHOGI-XKCSPQBFSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474058631 858741535 /nfs/dbraw/zinc/74/15/35/858741535.db2.gz YTBNLDCSJMHOGI-XKCSPQBFSA-N 2 1 398.595 3.870 20 0 GHADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000183578393 858776539 /nfs/dbraw/zinc/77/65/39/858776539.db2.gz LSASDCNPVLYOKL-CHWSQXEVSA-N 2 1 391.503 3.792 20 0 GHADMP Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n(C(C)(C)C)n1 ZINC000183686607 858796967 /nfs/dbraw/zinc/79/69/67/858796967.db2.gz BNAQOZDPNULOSG-INIZCTEOSA-N 2 1 394.523 3.730 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000482829233 858887928 /nfs/dbraw/zinc/88/79/28/858887928.db2.gz WGGXJEXMMVTWIH-AVRDEDQJSA-N 2 1 398.547 3.755 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3C[C@@H](C)N(Cc4ccccc4)C3)CCCC2)CC1 ZINC000499685865 858896148 /nfs/dbraw/zinc/89/61/48/858896148.db2.gz QZUOXOCRNWGCRT-IRLDBZIGSA-N 2 1 385.596 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000532186847 881360031 /nfs/dbraw/zinc/36/00/31/881360031.db2.gz SSYYYKSCHXORQS-YADARESESA-N 2 1 390.531 3.732 20 0 GHADMP Cc1ccc(C)c(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000429283760 858925602 /nfs/dbraw/zinc/92/56/02/858925602.db2.gz ABFZNBSJIMTIDO-NRFANRHFSA-N 2 1 393.575 3.905 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000482875671 858934000 /nfs/dbraw/zinc/93/40/00/858934000.db2.gz MCLJSTPHQOLTTF-IBGZPJMESA-N 2 1 379.548 3.947 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146496 858935994 /nfs/dbraw/zinc/93/59/94/858935994.db2.gz IIWBCAQNNJWBPE-LOSJGSFVSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146496 858936005 /nfs/dbraw/zinc/93/60/05/858936005.db2.gz IIWBCAQNNJWBPE-LOSJGSFVSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146496 858936015 /nfs/dbraw/zinc/93/60/15/858936015.db2.gz IIWBCAQNNJWBPE-LOSJGSFVSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146496 858936020 /nfs/dbraw/zinc/93/60/20/858936020.db2.gz IIWBCAQNNJWBPE-LOSJGSFVSA-N 2 1 392.543 3.952 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000443560155 858964147 /nfs/dbraw/zinc/96/41/47/858964147.db2.gz XXXLGJVLEPWIBZ-HXUWFJFHSA-N 2 1 392.632 3.793 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c(C)c1 ZINC000856549725 881366935 /nfs/dbraw/zinc/36/69/35/881366935.db2.gz TVOCJCRYJFHEBY-HSZRJFAPSA-N 2 1 383.536 3.894 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c(C)c1 ZINC000856549725 881366955 /nfs/dbraw/zinc/36/69/55/881366955.db2.gz TVOCJCRYJFHEBY-HSZRJFAPSA-N 2 1 383.536 3.894 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c(C)c1 ZINC000856549725 881366974 /nfs/dbraw/zinc/36/69/74/881366974.db2.gz TVOCJCRYJFHEBY-HSZRJFAPSA-N 2 1 383.536 3.894 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC000482956914 859008087 /nfs/dbraw/zinc/00/80/87/859008087.db2.gz WQQUACVGKFNIDY-HSZRJFAPSA-N 2 1 377.532 3.523 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC000482956914 859008098 /nfs/dbraw/zinc/00/80/98/859008098.db2.gz WQQUACVGKFNIDY-HSZRJFAPSA-N 2 1 377.532 3.523 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368562473 859022140 /nfs/dbraw/zinc/02/21/40/859022140.db2.gz PEAKTQXMGJAXEA-UJMXGEILSA-N 2 1 377.573 3.771 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cncc4ccccc43)C2)ccn1 ZINC000856552036 881373325 /nfs/dbraw/zinc/37/33/25/881373325.db2.gz FYMIYPVZIYRLFB-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cncc4ccccc43)C2)ccn1 ZINC000856552036 881373404 /nfs/dbraw/zinc/37/34/04/881373404.db2.gz FYMIYPVZIYRLFB-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cncc4ccccc43)C2)ccn1 ZINC000856552036 881373482 /nfs/dbraw/zinc/37/34/82/881373482.db2.gz FYMIYPVZIYRLFB-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785418539 859071945 /nfs/dbraw/zinc/07/19/45/859071945.db2.gz UNMICMNIDPTAHX-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552648 881379524 /nfs/dbraw/zinc/37/95/24/881379524.db2.gz ODNMPBGIPBVONA-WZONZLPQSA-N 2 1 383.536 3.799 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552648 881379541 /nfs/dbraw/zinc/37/95/41/881379541.db2.gz ODNMPBGIPBVONA-WZONZLPQSA-N 2 1 383.536 3.799 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552648 881379561 /nfs/dbraw/zinc/37/95/61/881379561.db2.gz ODNMPBGIPBVONA-WZONZLPQSA-N 2 1 383.536 3.799 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1Cl ZINC000185674881 859116013 /nfs/dbraw/zinc/11/60/13/859116013.db2.gz QHZSMJQBGQQFNJ-YESZJQIVSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1Cl ZINC000185674881 859116020 /nfs/dbraw/zinc/11/60/20/859116020.db2.gz QHZSMJQBGQQFNJ-YESZJQIVSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708642 859119003 /nfs/dbraw/zinc/11/90/03/859119003.db2.gz CWXHWCNMFUUQBM-WIYYLYMNSA-N 2 1 395.547 3.952 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708642 859119010 /nfs/dbraw/zinc/11/90/10/859119010.db2.gz CWXHWCNMFUUQBM-WIYYLYMNSA-N 2 1 395.547 3.952 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712261 859120522 /nfs/dbraw/zinc/12/05/22/859120522.db2.gz UGQIRUHNMOOXGW-HUUCEWRRSA-N 2 1 399.457 3.766 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712261 859120529 /nfs/dbraw/zinc/12/05/29/859120529.db2.gz UGQIRUHNMOOXGW-HUUCEWRRSA-N 2 1 399.457 3.766 20 0 GHADMP CC(C)c1ccc(CCNC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185718702 859120609 /nfs/dbraw/zinc/12/06/09/859120609.db2.gz DIKNJCSASSELDS-DENIHFKCSA-N 2 1 385.596 3.711 20 0 GHADMP CC(C)c1ccc(CCNC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185718702 859120617 /nfs/dbraw/zinc/12/06/17/859120617.db2.gz DIKNJCSASSELDS-DENIHFKCSA-N 2 1 385.596 3.711 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185719859 859121515 /nfs/dbraw/zinc/12/15/15/859121515.db2.gz XGUBGMJSQQMVLD-IKGGRYGDSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185719859 859121521 /nfs/dbraw/zinc/12/15/21/859121521.db2.gz XGUBGMJSQQMVLD-IKGGRYGDSA-N 2 1 375.582 3.978 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553066 881384390 /nfs/dbraw/zinc/38/43/90/881384390.db2.gz TXKYIFWBWSFWRW-WIYYLYMNSA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553066 881384411 /nfs/dbraw/zinc/38/44/11/881384411.db2.gz TXKYIFWBWSFWRW-WIYYLYMNSA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553066 881384433 /nfs/dbraw/zinc/38/44/33/881384433.db2.gz TXKYIFWBWSFWRW-WIYYLYMNSA-N 2 1 381.520 3.553 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000483133844 859171431 /nfs/dbraw/zinc/17/14/31/859171431.db2.gz JXORRTSHPZYFLW-HFMPRLQTSA-N 2 1 387.612 3.939 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000483195502 859206042 /nfs/dbraw/zinc/20/60/42/859206042.db2.gz BBHKXASTPNDOAB-HNNXBMFYSA-N 2 1 385.430 3.779 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000483195502 859206051 /nfs/dbraw/zinc/20/60/51/859206051.db2.gz BBHKXASTPNDOAB-HNNXBMFYSA-N 2 1 385.430 3.779 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@H](C)C1 ZINC000483192240 859216078 /nfs/dbraw/zinc/21/60/78/859216078.db2.gz GTIBHXNYJQVBNA-APWZRJJASA-N 2 1 383.374 3.718 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000191501275 859219164 /nfs/dbraw/zinc/21/91/64/859219164.db2.gz CYZFGYSTCAAGDN-UHFFFAOYSA-N 2 1 382.430 3.815 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000191501275 859219175 /nfs/dbraw/zinc/21/91/75/859219175.db2.gz CYZFGYSTCAAGDN-UHFFFAOYSA-N 2 1 382.430 3.815 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000466707940 859223229 /nfs/dbraw/zinc/22/32/29/859223229.db2.gz PDGKENHXZKDMOR-UHFFFAOYSA-N 2 1 387.524 3.673 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCCC2CCCC2)CC1)Cc1ccccc1 ZINC000483237156 859233246 /nfs/dbraw/zinc/23/32/46/859233246.db2.gz ASRQHIGDYXQACR-UHFFFAOYSA-N 2 1 385.596 3.917 20 0 GHADMP CCc1nnc2ccc(C[NH2+]C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC001168025558 859248430 /nfs/dbraw/zinc/24/84/30/859248430.db2.gz CSEMUHSQOSFYIG-ROUUACIJSA-N 2 1 377.536 3.823 20 0 GHADMP CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCC[NH3+])n1 ZINC000923528459 859396668 /nfs/dbraw/zinc/39/66/68/859396668.db2.gz WNYUOOKFMIGZJS-QRTHJKPMSA-N 2 1 379.614 3.860 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501119 859413745 /nfs/dbraw/zinc/41/37/45/859413745.db2.gz DTUXZSYVESEGGB-HTUUBCJYSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501119 859413752 /nfs/dbraw/zinc/41/37/52/859413752.db2.gz DTUXZSYVESEGGB-HTUUBCJYSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501119 859413755 /nfs/dbraw/zinc/41/37/55/859413755.db2.gz DTUXZSYVESEGGB-HTUUBCJYSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501119 859413765 /nfs/dbraw/zinc/41/37/65/859413765.db2.gz DTUXZSYVESEGGB-HTUUBCJYSA-N 2 1 383.580 3.547 20 0 GHADMP O=[S@](CCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511946 859425785 /nfs/dbraw/zinc/42/57/85/859425785.db2.gz KLDOBBZQMYSNAD-VBANMALSSA-N 2 1 382.573 3.781 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000626062282 859436732 /nfs/dbraw/zinc/43/67/32/859436732.db2.gz NVNSCRAMUAUAFC-QGZVFWFLSA-N 2 1 385.577 3.605 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc12 ZINC000509444940 859455495 /nfs/dbraw/zinc/45/54/95/859455495.db2.gz XSMCGUYIEJUVFU-NRFANRHFSA-N 2 1 377.536 3.667 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc12 ZINC000509444940 859455496 /nfs/dbraw/zinc/45/54/96/859455496.db2.gz XSMCGUYIEJUVFU-NRFANRHFSA-N 2 1 377.536 3.667 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(-c2ccccc2)c1 ZINC000764466525 859458899 /nfs/dbraw/zinc/45/88/99/859458899.db2.gz RGAJKJUARSXSHV-GHTZIAJQSA-N 2 1 395.576 3.573 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CC[C@@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)n2c1 ZINC000856559103 881427012 /nfs/dbraw/zinc/42/70/12/881427012.db2.gz MKTYUAPGFSGHKF-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)n2c1 ZINC000856559103 881427032 /nfs/dbraw/zinc/42/70/32/881427032.db2.gz MKTYUAPGFSGHKF-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)n2c1 ZINC000856559103 881427057 /nfs/dbraw/zinc/42/70/57/881427057.db2.gz MKTYUAPGFSGHKF-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[NH+](C2CCCC2)CC1)C1CC1 ZINC000483679030 859530659 /nfs/dbraw/zinc/53/06/59/859530659.db2.gz HXCYKZZLRKNDGF-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CC1 ZINC000483679030 859530666 /nfs/dbraw/zinc/53/06/66/859530666.db2.gz HXCYKZZLRKNDGF-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CC1 ZINC000483679030 859530674 /nfs/dbraw/zinc/53/06/74/859530674.db2.gz HXCYKZZLRKNDGF-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000114455642 859614031 /nfs/dbraw/zinc/61/40/31/859614031.db2.gz ICJHBZBQBPJEPG-HSZRJFAPSA-N 2 1 379.548 3.966 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000543431707 859683280 /nfs/dbraw/zinc/68/32/80/859683280.db2.gz QWHLOPJHTBBZBK-QHAWAJNXSA-N 2 1 385.596 3.771 20 0 GHADMP CC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474278891 859753365 /nfs/dbraw/zinc/75/33/65/859753365.db2.gz XVSXVEWUELQTLI-FQEVSTJZSA-N 2 1 395.572 3.944 20 0 GHADMP CC[NH+](Cc1ccc2c(c1)sc(=O)n2C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474278891 859753373 /nfs/dbraw/zinc/75/33/73/859753373.db2.gz XVSXVEWUELQTLI-FQEVSTJZSA-N 2 1 395.572 3.944 20 0 GHADMP CC[NH+](Cc1ccc2c(c1)sc(=O)n2C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474278891 859753379 /nfs/dbraw/zinc/75/33/79/859753379.db2.gz XVSXVEWUELQTLI-FQEVSTJZSA-N 2 1 395.572 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cnn(-c2ccccc2)c1 ZINC000765327805 859909039 /nfs/dbraw/zinc/90/90/39/859909039.db2.gz XXERSOVSIZITFX-WOJBJXKFSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cnn(-c2ccccc2)c1 ZINC000765327805 859909043 /nfs/dbraw/zinc/90/90/43/859909043.db2.gz XXERSOVSIZITFX-WOJBJXKFSA-N 2 1 390.531 3.944 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474425514 860054717 /nfs/dbraw/zinc/05/47/17/860054717.db2.gz KGXAYFZLXKPTRX-KRWDZBQOSA-N 2 1 386.367 3.663 20 0 GHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)CC2 ZINC000280140125 860062464 /nfs/dbraw/zinc/06/24/64/860062464.db2.gz POVHZODVIOFMQZ-FQEVSTJZSA-N 2 1 399.535 3.798 20 0 GHADMP O=C1[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428200 860087147 /nfs/dbraw/zinc/08/71/47/860087147.db2.gz QKDWPEBHYXBGBZ-BFYDXBDKSA-N 2 1 382.335 3.705 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)c1 ZINC000602528044 860099087 /nfs/dbraw/zinc/09/90/87/860099087.db2.gz MEUTUTGYLLEOBV-UHFFFAOYSA-N 2 1 386.540 3.505 20 0 GHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000474479487 860168680 /nfs/dbraw/zinc/16/86/80/860168680.db2.gz RETXCQZPQBMNPI-RBUKOAKNSA-N 2 1 398.547 3.818 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000474480820 860169981 /nfs/dbraw/zinc/16/99/81/860169981.db2.gz VUQQALXYGNAMOP-RTBURBONSA-N 2 1 398.547 3.818 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(Cc3cccnc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035625 860181262 /nfs/dbraw/zinc/18/12/62/860181262.db2.gz UBXMAIGCMRXQKM-RUMRUAAYSA-N 2 1 392.591 3.859 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602629584 860183194 /nfs/dbraw/zinc/18/31/94/860183194.db2.gz LRKGLZTUPIBTLF-YLJYHZDGSA-N 2 1 399.560 3.820 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602629584 860183202 /nfs/dbraw/zinc/18/32/02/860183202.db2.gz LRKGLZTUPIBTLF-YLJYHZDGSA-N 2 1 399.560 3.820 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000536032821 860265292 /nfs/dbraw/zinc/26/52/92/860265292.db2.gz PZNUDJBSXZDZHM-JOCHJYFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536032821 860265302 /nfs/dbraw/zinc/26/53/02/860265302.db2.gz PZNUDJBSXZDZHM-JOCHJYFZSA-N 2 1 380.536 3.514 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000484720066 860287638 /nfs/dbraw/zinc/28/76/38/860287638.db2.gz QRXNXQJHLLNPHD-BZRIBIQUSA-N 2 1 394.563 3.813 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC000598639536 860467624 /nfs/dbraw/zinc/46/76/24/860467624.db2.gz TWNITSFHOKLCDC-QUCCMNQESA-N 2 1 395.547 3.611 20 0 GHADMP CCCn1c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccccc21 ZINC000904477021 860468582 /nfs/dbraw/zinc/46/85/82/860468582.db2.gz WNKZBTSXTBVKKF-AUSIDOKSSA-N 2 1 376.504 3.792 20 0 GHADMP C[C@@H](NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000904588767 860512050 /nfs/dbraw/zinc/51/20/50/860512050.db2.gz XFKFALKJARPEAG-MJGOQNOKSA-N 2 1 380.536 3.913 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000904626314 860535663 /nfs/dbraw/zinc/53/56/63/860535663.db2.gz KDNZJPWBRCFHEJ-HXUWFJFHSA-N 2 1 378.520 3.569 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)(C)C ZINC000116426047 860634089 /nfs/dbraw/zinc/63/40/89/860634089.db2.gz LWIVOASDJYPXRI-PKOBYXMFSA-N 2 1 394.629 3.626 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474698610 860653708 /nfs/dbraw/zinc/65/37/08/860653708.db2.gz YPVBBRQXKLAMEE-OAQYLSRUSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474698610 860653711 /nfs/dbraw/zinc/65/37/11/860653711.db2.gz YPVBBRQXKLAMEE-OAQYLSRUSA-N 2 1 375.532 3.563 20 0 GHADMP CO[C@@H](C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606116 881582064 /nfs/dbraw/zinc/58/20/64/881582064.db2.gz IKEFLOYOWDDRPK-GOTSBHOMSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606116 881582068 /nfs/dbraw/zinc/58/20/68/881582068.db2.gz IKEFLOYOWDDRPK-GOTSBHOMSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606116 881582080 /nfs/dbraw/zinc/58/20/80/881582080.db2.gz IKEFLOYOWDDRPK-GOTSBHOMSA-N 2 1 389.584 3.970 20 0 GHADMP C[C@H](CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)[N@@H+](C)Cc1ccccc1 ZINC000474805223 860807191 /nfs/dbraw/zinc/80/71/91/860807191.db2.gz AFJFNCMLDOUYRC-QGZVFWFLSA-N 2 1 383.927 3.921 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000192590807 860882410 /nfs/dbraw/zinc/88/24/10/860882410.db2.gz FAYRPRPXFZFBLL-BEFAXECRSA-N 2 1 387.574 3.834 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000192590807 860882419 /nfs/dbraw/zinc/88/24/19/860882419.db2.gz FAYRPRPXFZFBLL-BEFAXECRSA-N 2 1 387.574 3.834 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000126026108 860908899 /nfs/dbraw/zinc/90/88/99/860908899.db2.gz MSAMOHOOSUYAFR-IBGZPJMESA-N 2 1 386.584 3.555 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000603597208 860911285 /nfs/dbraw/zinc/91/12/85/860911285.db2.gz JSKUTCOUMIQNHC-GOSISDBHSA-N 2 1 383.540 3.544 20 0 GHADMP Cc1nc2ccc(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)cc2s1 ZINC000494363013 881593772 /nfs/dbraw/zinc/59/37/72/881593772.db2.gz CEVYJJIXOWCBFS-UHFFFAOYSA-N 2 1 380.561 3.642 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1(C)C ZINC000623364017 860923859 /nfs/dbraw/zinc/92/38/59/860923859.db2.gz PDYUIJUVXRUOPA-GOSISDBHSA-N 2 1 395.385 3.960 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000429063358 860934083 /nfs/dbraw/zinc/93/40/83/860934083.db2.gz HMOFHSVBKBAMDH-HSZRJFAPSA-N 2 1 377.532 3.658 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000126084613 860937741 /nfs/dbraw/zinc/93/77/41/860937741.db2.gz FJERKCIOAKCXFV-QFIPXVFZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000126084613 860937749 /nfs/dbraw/zinc/93/77/49/860937749.db2.gz FJERKCIOAKCXFV-QFIPXVFZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000126084613 860937756 /nfs/dbraw/zinc/93/77/56/860937756.db2.gz FJERKCIOAKCXFV-QFIPXVFZSA-N 2 1 398.595 3.557 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182245017 863161708 /nfs/dbraw/zinc/16/17/08/863161708.db2.gz JWXGGHMFHWFJFD-IFMALSPDSA-N 2 1 384.495 3.786 20 0 GHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000532269942 881641099 /nfs/dbraw/zinc/64/10/99/881641099.db2.gz IJQKNKRTLKBKFG-OALUTQOASA-N 2 1 397.346 3.737 20 0 GHADMP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482565616 863318531 /nfs/dbraw/zinc/31/85/31/863318531.db2.gz YSSWKATZLOAGAP-LPHOPBHVSA-N 2 1 395.975 3.613 20 0 GHADMP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000482565616 863318547 /nfs/dbraw/zinc/31/85/47/863318547.db2.gz YSSWKATZLOAGAP-LPHOPBHVSA-N 2 1 395.975 3.613 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000428325843 863409030 /nfs/dbraw/zinc/40/90/30/863409030.db2.gz OCKGSPXEJMYMST-XWSHUIEDSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000428325843 863409038 /nfs/dbraw/zinc/40/90/38/863409038.db2.gz OCKGSPXEJMYMST-XWSHUIEDSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000428325843 863409045 /nfs/dbraw/zinc/40/90/45/863409045.db2.gz OCKGSPXEJMYMST-XWSHUIEDSA-N 2 1 386.584 3.602 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000173350311 881661204 /nfs/dbraw/zinc/66/12/04/881661204.db2.gz DURWZBJZJGKOPL-ROUUACIJSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000173350311 881661211 /nfs/dbraw/zinc/66/12/11/881661211.db2.gz DURWZBJZJGKOPL-ROUUACIJSA-N 2 1 384.520 3.775 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000183136411 863481683 /nfs/dbraw/zinc/48/16/83/863481683.db2.gz PWCPZOQDIAIHAZ-MRXNPFEDSA-N 2 1 388.471 3.518 20 0 GHADMP c1ccc([C@@H](C[NH+]2CCC[C@@H]3COCC[C@@H]32)C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000639516319 863602545 /nfs/dbraw/zinc/60/25/45/863602545.db2.gz QVVIPRJITMFSSM-TWNZBZMVSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@H](C[NH+]2CCC[C@H]3COCC[C@H]32)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516319 863602548 /nfs/dbraw/zinc/60/25/48/863602548.db2.gz QVVIPRJITMFSSM-TWNZBZMVSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@H](C[NH+]2CCC[C@H]3COCC[C@H]32)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516319 863602556 /nfs/dbraw/zinc/60/25/56/863602556.db2.gz QVVIPRJITMFSSM-TWNZBZMVSA-N 2 1 398.591 3.772 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC[NH+](C)CC1 ZINC000606635531 863726215 /nfs/dbraw/zinc/72/62/15/863726215.db2.gz KPDVNCZBHAITQH-RTBURBONSA-N 2 1 386.584 3.591 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1)CC1CC1 ZINC000856733004 881698976 /nfs/dbraw/zinc/69/89/76/881698976.db2.gz KBULRLFTLFFNOL-UHFFFAOYSA-N 2 1 384.630 3.568 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1)CC1CC1 ZINC000856733004 881698984 /nfs/dbraw/zinc/69/89/84/881698984.db2.gz KBULRLFTLFFNOL-UHFFFAOYSA-N 2 1 384.630 3.568 20 0 GHADMP C[C@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000378899495 863851133 /nfs/dbraw/zinc/85/11/33/863851133.db2.gz WCEXJRVCNUXNSV-GOSISDBHSA-N 2 1 375.557 3.586 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1 ZINC000667607984 863898201 /nfs/dbraw/zinc/89/82/01/863898201.db2.gz VPTFATOQXXJQTI-CQSZACIVSA-N 2 1 389.569 3.741 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000667607984 863898206 /nfs/dbraw/zinc/89/82/06/863898206.db2.gz VPTFATOQXXJQTI-CQSZACIVSA-N 2 1 389.569 3.741 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667607984 863898212 /nfs/dbraw/zinc/89/82/12/863898212.db2.gz VPTFATOQXXJQTI-CQSZACIVSA-N 2 1 389.569 3.741 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1CCC[NH+](CC)C1)c1ccc(Cl)cc1 ZINC000554249792 863999302 /nfs/dbraw/zinc/99/93/02/863999302.db2.gz LIEZNPJGKSWWIP-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000554249792 863999312 /nfs/dbraw/zinc/99/93/12/863999312.db2.gz LIEZNPJGKSWWIP-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000554249792 863999322 /nfs/dbraw/zinc/99/93/22/863999322.db2.gz LIEZNPJGKSWWIP-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000480085146 864004354 /nfs/dbraw/zinc/00/43/54/864004354.db2.gz SRWHPSJIOWTLPX-GGAORHGYSA-N 2 1 385.596 3.522 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OCC(C)C ZINC000607057858 864018192 /nfs/dbraw/zinc/01/81/92/864018192.db2.gz NRJBITIQVVUHIP-LJQANCHMSA-N 2 1 390.572 3.601 20 0 GHADMP CCCOc1cc(C)ccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000607057547 864018455 /nfs/dbraw/zinc/01/84/55/864018455.db2.gz DHVLIPHVFKQNFV-LJQANCHMSA-N 2 1 390.572 3.664 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000554275282 864057123 /nfs/dbraw/zinc/05/71/23/864057123.db2.gz RJKUAHSYLHBLLU-MRXNPFEDSA-N 2 1 399.501 3.557 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000159190059 864058168 /nfs/dbraw/zinc/05/81/68/864058168.db2.gz ZWBDFRVQBGBSBC-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000159190059 864058180 /nfs/dbraw/zinc/05/81/80/864058180.db2.gz ZWBDFRVQBGBSBC-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000159190059 864058190 /nfs/dbraw/zinc/05/81/90/864058190.db2.gz ZWBDFRVQBGBSBC-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898521345 864086824 /nfs/dbraw/zinc/08/68/24/864086824.db2.gz AOBQKLNSGRXNGP-GIWBLDEGSA-N 2 1 387.531 3.862 20 0 GHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000607167743 864128994 /nfs/dbraw/zinc/12/89/94/864128994.db2.gz JZAYGCHZKFNMAT-UPVQGACJSA-N 2 1 382.548 3.838 20 0 GHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000607167743 864129008 /nfs/dbraw/zinc/12/90/08/864129008.db2.gz JZAYGCHZKFNMAT-UPVQGACJSA-N 2 1 382.548 3.838 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sc3nc(C)nc(C)c3c2C)[C@@H](C)C1 ZINC000734510739 864269420 /nfs/dbraw/zinc/26/94/20/864269420.db2.gz YWZGYJVALZTBEM-KSSFIOAISA-N 2 1 390.597 3.843 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475151803 864326060 /nfs/dbraw/zinc/32/60/60/864326060.db2.gz ZVDWBXQKVAYHAJ-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475151802 864326578 /nfs/dbraw/zinc/32/65/78/864326578.db2.gz ZVDWBXQKVAYHAJ-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000856814097 881768252 /nfs/dbraw/zinc/76/82/52/881768252.db2.gz XRKZGCKMHISGOK-CMKODMSKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000856814097 881768265 /nfs/dbraw/zinc/76/82/65/881768265.db2.gz XRKZGCKMHISGOK-CMKODMSKSA-N 2 1 375.557 3.932 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000182563701 864612853 /nfs/dbraw/zinc/61/28/53/864612853.db2.gz HXOHZMLZGBWYFS-DWLFOUALSA-N 2 1 386.584 3.550 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000182564147 864631745 /nfs/dbraw/zinc/63/17/45/864631745.db2.gz OMAMSWFGOAGPOQ-NLWGTHIKSA-N 2 1 390.572 3.615 20 0 GHADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC000607734557 864661254 /nfs/dbraw/zinc/66/12/54/864661254.db2.gz LZOXHDUDRVDILP-NRFANRHFSA-N 2 1 395.547 3.570 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC000607734557 864661256 /nfs/dbraw/zinc/66/12/56/864661256.db2.gz LZOXHDUDRVDILP-NRFANRHFSA-N 2 1 395.547 3.570 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(OC)c1OCc1ccccc1 ZINC000030907301 864806872 /nfs/dbraw/zinc/80/68/72/864806872.db2.gz HHLMHQPYBPBWKV-LJQANCHMSA-N 2 1 396.531 3.857 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000554744912 864828508 /nfs/dbraw/zinc/82/85/08/864828508.db2.gz BYVYBMJHBRGZIH-QGZVFWFLSA-N 2 1 389.849 3.703 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000554744912 864828528 /nfs/dbraw/zinc/82/85/28/864828528.db2.gz BYVYBMJHBRGZIH-QGZVFWFLSA-N 2 1 389.849 3.703 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184700271 864863721 /nfs/dbraw/zinc/86/37/21/864863721.db2.gz MXYVSSSDYDLYSX-UHFFFAOYSA-N 2 1 384.948 3.625 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H](C)C1 ZINC000480691356 865097496 /nfs/dbraw/zinc/09/74/96/865097496.db2.gz FRTBDPRQXGZDDH-UNMCSNQZSA-N 2 1 388.600 3.689 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H](C)C1 ZINC000480691356 865097507 /nfs/dbraw/zinc/09/75/07/865097507.db2.gz FRTBDPRQXGZDDH-UNMCSNQZSA-N 2 1 388.600 3.689 20 0 GHADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000608248938 865151908 /nfs/dbraw/zinc/15/19/08/865151908.db2.gz NVYGBSFIJSNKBD-KNQAVFIVSA-N 2 1 399.966 3.923 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000608248938 865151913 /nfs/dbraw/zinc/15/19/13/865151913.db2.gz NVYGBSFIJSNKBD-KNQAVFIVSA-N 2 1 399.966 3.923 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000171386485 865235552 /nfs/dbraw/zinc/23/55/52/865235552.db2.gz YZLXEIMQCOVXFP-HXUWFJFHSA-N 2 1 377.598 3.759 20 0 GHADMP Cc1nc2c(s1)[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000480783255 865264253 /nfs/dbraw/zinc/26/42/53/865264253.db2.gz ZHMZNJWGUFVRLU-CTNGQTDRSA-N 2 1 384.593 3.797 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000480776626 865277565 /nfs/dbraw/zinc/27/75/65/865277565.db2.gz CVYILCMUUJBMHF-BJKOFHAPSA-N 2 1 379.548 3.651 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000301496845 865390598 /nfs/dbraw/zinc/39/05/98/865390598.db2.gz BJBFDDJVCZDZLA-UHFFFAOYSA-N 2 1 390.325 3.546 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000738984459 865669609 /nfs/dbraw/zinc/66/96/09/865669609.db2.gz KQTNNGGDMJNLHS-VWPQPMDRSA-N 2 1 386.584 3.555 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000843805374 865676725 /nfs/dbraw/zinc/67/67/25/865676725.db2.gz PZJLUHZJRJXLJL-SFHVURJKSA-N 2 1 397.567 3.813 20 0 GHADMP COCCN1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000555225773 865742479 /nfs/dbraw/zinc/74/24/79/865742479.db2.gz LUNKGXVGTOROGI-ONFJWMFVSA-N 2 1 391.987 3.564 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001168341533 881933611 /nfs/dbraw/zinc/93/36/11/881933611.db2.gz SQHZSUUWIOQFJO-YSFYHYPLSA-N 2 1 383.580 3.524 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125579 866145409 /nfs/dbraw/zinc/14/54/09/866145409.db2.gz XLFRGLNULIPNQL-XUVXKRRUSA-N 2 1 375.944 3.608 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125579 866145415 /nfs/dbraw/zinc/14/54/15/866145415.db2.gz XLFRGLNULIPNQL-XUVXKRRUSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125579 866145421 /nfs/dbraw/zinc/14/54/21/866145421.db2.gz XLFRGLNULIPNQL-XUVXKRRUSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125579 866145425 /nfs/dbraw/zinc/14/54/25/866145425.db2.gz XLFRGLNULIPNQL-XUVXKRRUSA-N 2 1 375.944 3.608 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000665820641 866451015 /nfs/dbraw/zinc/45/10/15/866451015.db2.gz AFRWXRUMVVDROP-QFIPXVFZSA-N 2 1 398.595 3.959 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(OC)c1 ZINC000153494674 866537311 /nfs/dbraw/zinc/53/73/11/866537311.db2.gz WPVKMNLAYVQKRV-ROUUACIJSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(OC)c1 ZINC000153494674 866537317 /nfs/dbraw/zinc/53/73/17/866537317.db2.gz WPVKMNLAYVQKRV-ROUUACIJSA-N 2 1 384.520 3.775 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(OC)c1OC ZINC000631615929 866578470 /nfs/dbraw/zinc/57/84/70/866578470.db2.gz FEJCHYJGHRCPJN-UNMCSNQZSA-N 2 1 398.547 3.901 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000523134827 866708021 /nfs/dbraw/zinc/70/80/21/866708021.db2.gz DDJFDAOCLUYSLS-VQTJNVASSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000523134827 866708025 /nfs/dbraw/zinc/70/80/25/866708025.db2.gz DDJFDAOCLUYSLS-VQTJNVASSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000523134827 866708034 /nfs/dbraw/zinc/70/80/34/866708034.db2.gz DDJFDAOCLUYSLS-VQTJNVASSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000523203071 866853613 /nfs/dbraw/zinc/85/36/13/866853613.db2.gz JMLJDXHEUQHCPU-SBHAEUEKSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000523203071 866853625 /nfs/dbraw/zinc/85/36/25/866853625.db2.gz JMLJDXHEUQHCPU-SBHAEUEKSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000523203071 866853642 /nfs/dbraw/zinc/85/36/42/866853642.db2.gz JMLJDXHEUQHCPU-SBHAEUEKSA-N 2 1 386.584 3.632 20 0 GHADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444602228 866935704 /nfs/dbraw/zinc/93/57/04/866935704.db2.gz ZESOKBWRBYXNFI-YLJYHZDGSA-N 2 1 383.540 3.805 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444602228 866935719 /nfs/dbraw/zinc/93/57/19/866935719.db2.gz ZESOKBWRBYXNFI-YLJYHZDGSA-N 2 1 383.540 3.805 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000523311732 867049098 /nfs/dbraw/zinc/04/90/98/867049098.db2.gz YDBLGZXDRLMEQJ-NHCUHLMSSA-N 2 1 386.499 3.729 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857138278 882044938 /nfs/dbraw/zinc/04/49/38/882044938.db2.gz PGEGAGIQDDYROD-DNQXCXABSA-N 2 1 391.559 3.842 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857138278 882044957 /nfs/dbraw/zinc/04/49/57/882044957.db2.gz PGEGAGIQDDYROD-DNQXCXABSA-N 2 1 391.559 3.842 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857138278 882044976 /nfs/dbraw/zinc/04/49/76/882044976.db2.gz PGEGAGIQDDYROD-DNQXCXABSA-N 2 1 391.559 3.842 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479066082 867084496 /nfs/dbraw/zinc/08/44/96/867084496.db2.gz VXANWPWKMLPXRV-IBGZPJMESA-N 2 1 398.364 3.657 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000553260315 867097889 /nfs/dbraw/zinc/09/78/89/867097889.db2.gz GYKVNHDYGPUXDF-UHFFFAOYSA-N 2 1 386.499 3.958 20 0 GHADMP c1cc2nccc(N3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)c2s1 ZINC000553333557 867199749 /nfs/dbraw/zinc/19/97/49/867199749.db2.gz BLCGAISMEBMLMN-IBGZPJMESA-N 2 1 378.545 3.693 20 0 GHADMP c1cc2[nH+]ccc(N3CCN([C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)c2s1 ZINC000553333557 867199758 /nfs/dbraw/zinc/19/97/58/867199758.db2.gz BLCGAISMEBMLMN-IBGZPJMESA-N 2 1 378.545 3.693 20 0 GHADMP c1cc2[nH+]ccc(N3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)CC3)c2s1 ZINC000553333557 867199763 /nfs/dbraw/zinc/19/97/63/867199763.db2.gz BLCGAISMEBMLMN-IBGZPJMESA-N 2 1 378.545 3.693 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000523454043 867303266 /nfs/dbraw/zinc/30/32/66/867303266.db2.gz PQFNKEGRYOCPOS-RTBURBONSA-N 2 1 392.613 3.503 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)c(C(F)(F)F)c2)n1 ZINC000154299829 867343838 /nfs/dbraw/zinc/34/38/38/867343838.db2.gz NGYASXZHMALDEB-DJJJIMSYSA-N 2 1 380.458 3.938 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154397873 867390185 /nfs/dbraw/zinc/39/01/85/867390185.db2.gz WRTVJQRXJRUNHU-GOSISDBHSA-N 2 1 386.609 3.721 20 0 GHADMP CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079404 867665995 /nfs/dbraw/zinc/66/59/95/867665995.db2.gz FFDLVJZAVGFCGZ-LJQANCHMSA-N 2 1 397.485 3.526 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCc1ccccc1F ZINC000523706532 867783309 /nfs/dbraw/zinc/78/33/09/867783309.db2.gz SFGOVDRIDGJPPH-MOPGFXCFSA-N 2 1 397.538 3.852 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000523784374 867958643 /nfs/dbraw/zinc/95/86/43/867958643.db2.gz SUXLHDAPPRLYRL-OALUTQOASA-N 2 1 392.613 3.504 20 0 GHADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000479549255 868007426 /nfs/dbraw/zinc/00/74/26/868007426.db2.gz GGOHPGLZLSSANZ-MRXNPFEDSA-N 2 1 386.989 3.878 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857256468 882148136 /nfs/dbraw/zinc/14/81/36/882148136.db2.gz JBJFBAHOUAMUAG-IOMROCGXSA-N 2 1 383.536 3.948 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000523906999 868260302 /nfs/dbraw/zinc/26/03/02/868260302.db2.gz SDCCARUBHXBGRL-LJQANCHMSA-N 2 1 386.584 3.776 20 0 GHADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857286782 882172782 /nfs/dbraw/zinc/17/27/82/882172782.db2.gz DZYMZGNANUZGQE-NRFANRHFSA-N 2 1 385.577 3.761 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272271678 868475998 /nfs/dbraw/zinc/47/59/98/868475998.db2.gz BMRMYXVNRGIUDF-UEXGIBASSA-N 2 1 386.561 3.651 20 0 GHADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156968150 868515824 /nfs/dbraw/zinc/51/58/24/868515824.db2.gz BGHSVQBIXKXFQL-APWZRJJASA-N 2 1 385.577 3.859 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000457661412 868595303 /nfs/dbraw/zinc/59/53/03/868595303.db2.gz SQAWVTXWFUXWEN-DEOSSOPVSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000479902292 868671028 /nfs/dbraw/zinc/67/10/28/868671028.db2.gz KUVVLKCXGGBTGJ-INIZCTEOSA-N 2 1 376.447 3.971 20 0 GHADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000479982954 868858402 /nfs/dbraw/zinc/85/84/02/868858402.db2.gz OTZFMLCOPSYTJX-UHFFFAOYSA-N 2 1 396.531 3.764 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379618923 869009411 /nfs/dbraw/zinc/00/94/11/869009411.db2.gz AXRNOIUKHSMGIP-PKOBYXMFSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379618923 869009423 /nfs/dbraw/zinc/00/94/23/869009423.db2.gz AXRNOIUKHSMGIP-PKOBYXMFSA-N 2 1 375.557 3.932 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)cc2)CC1 ZINC000190802604 882275150 /nfs/dbraw/zinc/27/51/50/882275150.db2.gz LSXCUJMMHNCTHC-UHFFFAOYSA-N 2 1 379.548 3.513 20 0 GHADMP C[C@]1(CCCO)CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000539613376 869443962 /nfs/dbraw/zinc/44/39/62/869443962.db2.gz BLDUKBQNZZYTCB-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP C[C@]1(CCCO)CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@@]1(C)CCCO ZINC000539613376 869443970 /nfs/dbraw/zinc/44/39/70/869443970.db2.gz BLDUKBQNZZYTCB-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP C[C@]1(CCCO)CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@@]1(C)CCCO ZINC000539613376 869443974 /nfs/dbraw/zinc/44/39/74/869443974.db2.gz BLDUKBQNZZYTCB-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121833206 882302722 /nfs/dbraw/zinc/30/27/22/882302722.db2.gz ZMBGGXSYPAMTKX-SFHVURJKSA-N 2 1 385.552 3.804 20 0 GHADMP CCC[N@H+](Cc1cnc2cccc(C)n12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539828298 869862688 /nfs/dbraw/zinc/86/26/88/869862688.db2.gz IECJRNIRZVFQAQ-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP CCC[N@@H+](Cc1cnc2cccc(C)n12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539828298 869862697 /nfs/dbraw/zinc/86/26/97/869862697.db2.gz IECJRNIRZVFQAQ-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP Cc1cccc([C@@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000539851191 869885012 /nfs/dbraw/zinc/88/50/12/869885012.db2.gz WFCQMUXSTDOXIN-QFIPXVFZSA-N 2 1 379.552 3.572 20 0 GHADMP Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000539851191 869885020 /nfs/dbraw/zinc/88/50/20/869885020.db2.gz WFCQMUXSTDOXIN-QFIPXVFZSA-N 2 1 379.552 3.572 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462717142 869960984 /nfs/dbraw/zinc/96/09/84/869960984.db2.gz VPGAOSRRQBZENV-URVUXULASA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462717142 869960993 /nfs/dbraw/zinc/96/09/93/869960993.db2.gz VPGAOSRRQBZENV-URVUXULASA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462717142 869961003 /nfs/dbraw/zinc/96/10/03/869961003.db2.gz VPGAOSRRQBZENV-URVUXULASA-N 2 1 388.600 3.801 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000446592405 870041911 /nfs/dbraw/zinc/04/19/11/870041911.db2.gz WSFSKROHKOAQPJ-GHTZIAJQSA-N 2 1 380.536 3.575 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000133715535 882367849 /nfs/dbraw/zinc/36/78/49/882367849.db2.gz DXQNIBKBUOCZLO-KSSFIOAISA-N 2 1 387.430 3.549 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4ccccc43)c2)C1 ZINC000247967926 870247501 /nfs/dbraw/zinc/24/75/01/870247501.db2.gz GZGWJCAMKKJXBZ-TZIWHRDSSA-N 2 1 395.572 3.711 20 0 GHADMP Cn1c2ccccc2nc1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540048305 870259332 /nfs/dbraw/zinc/25/93/32/870259332.db2.gz SXLVAWOSZPJEID-UHFFFAOYSA-N 2 1 377.536 3.749 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044319 870297265 /nfs/dbraw/zinc/29/72/65/870297265.db2.gz BDDBRDASBFVQIY-HSZRJFAPSA-N 2 1 397.563 3.677 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000248139583 870297981 /nfs/dbraw/zinc/29/79/81/870297981.db2.gz PMYWTWSVEBVNGB-AGILITTLSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000248139583 870297997 /nfs/dbraw/zinc/29/79/97/870297997.db2.gz PMYWTWSVEBVNGB-AGILITTLSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000248139583 870298011 /nfs/dbraw/zinc/29/80/11/870298011.db2.gz PMYWTWSVEBVNGB-AGILITTLSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248197902 870313541 /nfs/dbraw/zinc/31/35/41/870313541.db2.gz XQYJHRPAONGFCH-XMSQKQJNSA-N 2 1 397.538 3.634 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248547749 870480789 /nfs/dbraw/zinc/48/07/89/870480789.db2.gz GISIFJVDCOHKFM-NIJXNBFTSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248547749 870480795 /nfs/dbraw/zinc/48/07/95/870480795.db2.gz GISIFJVDCOHKFM-NIJXNBFTSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000248547749 870480799 /nfs/dbraw/zinc/48/07/99/870480799.db2.gz GISIFJVDCOHKFM-NIJXNBFTSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000248547749 870480803 /nfs/dbraw/zinc/48/08/03/870480803.db2.gz GISIFJVDCOHKFM-NIJXNBFTSA-N 2 1 392.591 3.792 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248574469 870505243 /nfs/dbraw/zinc/50/52/43/870505243.db2.gz SPPOWGWEGQIVET-IPELMVKDSA-N 2 1 383.374 3.859 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248574469 870505261 /nfs/dbraw/zinc/50/52/61/870505261.db2.gz SPPOWGWEGQIVET-IPELMVKDSA-N 2 1 383.374 3.859 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248601474 870527419 /nfs/dbraw/zinc/52/74/19/870527419.db2.gz VGDZKLMLBUBUDA-ZIFCJYIRSA-N 2 1 380.960 3.631 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2ccccn2)c1C ZINC000122117450 882423521 /nfs/dbraw/zinc/42/35/21/882423521.db2.gz YVQYPXVELBKLEP-FQEVSTJZSA-N 2 1 394.563 3.545 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000540158817 870619535 /nfs/dbraw/zinc/61/95/35/870619535.db2.gz ZNAHZHXVUVYMSQ-IGNZVWTISA-N 2 1 385.321 3.617 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540159232 870620794 /nfs/dbraw/zinc/62/07/94/870620794.db2.gz XDQNNYTVYQVRKW-JPYJTQIMSA-N 2 1 384.520 3.583 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540159232 870620802 /nfs/dbraw/zinc/62/08/02/870620802.db2.gz XDQNNYTVYQVRKW-JPYJTQIMSA-N 2 1 384.520 3.583 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000538799189 870629921 /nfs/dbraw/zinc/62/99/21/870629921.db2.gz SCTPQYBAONFBLC-VQIMIIECSA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000538799189 870629927 /nfs/dbraw/zinc/62/99/27/870629927.db2.gz SCTPQYBAONFBLC-VQIMIIECSA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000538799189 870629938 /nfs/dbraw/zinc/62/99/38/870629938.db2.gz SCTPQYBAONFBLC-VQIMIIECSA-N 2 1 398.503 3.677 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000540166950 870647668 /nfs/dbraw/zinc/64/76/68/870647668.db2.gz GRPSZPLNQUJNKS-KBPBESRZSA-N 2 1 382.430 3.853 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000122132282 882430437 /nfs/dbraw/zinc/43/04/37/882430437.db2.gz KTNQFMYOLVQAIL-HKUYNNGSSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000122132282 882430444 /nfs/dbraw/zinc/43/04/44/882430444.db2.gz KTNQFMYOLVQAIL-HKUYNNGSSA-N 2 1 383.540 3.661 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000525448093 870704509 /nfs/dbraw/zinc/70/45/09/870704509.db2.gz MZQREAKMEYWEJB-NZQKXSOJSA-N 2 1 394.563 3.595 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1)CC(C)C ZINC000540196248 870737108 /nfs/dbraw/zinc/73/71/08/870737108.db2.gz HIXOZQXICNCKJT-IBGZPJMESA-N 2 1 384.572 3.803 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1)CC(C)C ZINC000540196248 870737111 /nfs/dbraw/zinc/73/71/11/870737111.db2.gz HIXOZQXICNCKJT-IBGZPJMESA-N 2 1 384.572 3.803 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](COCc3ccccc3)C(C)C)CC2)nc(C)[nH+]1 ZINC000446943940 870754078 /nfs/dbraw/zinc/75/40/78/870754078.db2.gz ZVESGJHAKLMILZ-QFIPXVFZSA-N 2 1 382.552 3.893 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC[C@H](C(F)(F)F)C1 ZINC000249178322 870780441 /nfs/dbraw/zinc/78/04/41/870780441.db2.gz GMSYOALLPRZNEH-FDKIHUSFSA-N 2 1 396.497 3.970 20 0 GHADMP COC(=O)C1(C)CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001168797813 870841525 /nfs/dbraw/zinc/84/15/25/870841525.db2.gz YJWLGHWFAQDNHN-YDNYCGNNSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001168797813 870841532 /nfs/dbraw/zinc/84/15/32/870841532.db2.gz YJWLGHWFAQDNHN-YDNYCGNNSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001168797813 870841543 /nfs/dbraw/zinc/84/15/43/870841543.db2.gz YJWLGHWFAQDNHN-YDNYCGNNSA-N 2 1 384.564 3.952 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](c3ccc(Cl)cc3)C3CC3)cc2)CC1 ZINC000540264820 870871650 /nfs/dbraw/zinc/87/16/50/870871650.db2.gz LTIAHALRPGEWAQ-QFIPXVFZSA-N 2 1 397.950 3.969 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CN1C(=O)OC(C)(C)C ZINC001168833806 870890313 /nfs/dbraw/zinc/89/03/13/870890313.db2.gz LAFRECHNMSGVCB-AEFFLSMTSA-N 2 1 391.531 3.559 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000088740009 870918655 /nfs/dbraw/zinc/91/86/55/870918655.db2.gz OHSZGGTUAFEZJW-UHFFFAOYSA-N 3 1 384.612 3.715 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870568 870921448 /nfs/dbraw/zinc/92/14/48/870921448.db2.gz CVFMUIFRYYUADT-NRSPTQNISA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870568 870921451 /nfs/dbraw/zinc/92/14/51/870921451.db2.gz CVFMUIFRYYUADT-NRSPTQNISA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870568 870921458 /nfs/dbraw/zinc/92/14/58/870921458.db2.gz CVFMUIFRYYUADT-NRSPTQNISA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849107 870929277 /nfs/dbraw/zinc/92/92/77/870929277.db2.gz HDLSZWDDRYGODS-OWSLCNJRSA-N 2 1 391.581 3.510 20 0 GHADMP COc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(OC)c1 ZINC000463120674 870960525 /nfs/dbraw/zinc/96/05/25/870960525.db2.gz XAHRTVMHXXKNAV-UHFFFAOYSA-N 2 1 386.511 3.682 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3ccc(F)cc3F)CC2)cc1 ZINC000463141041 870996155 /nfs/dbraw/zinc/99/61/55/870996155.db2.gz AWOHATWXSYWKKV-UHFFFAOYSA-N 2 1 378.438 3.779 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000897351852 871012560 /nfs/dbraw/zinc/01/25/60/871012560.db2.gz BAIGAFKDOFAJQT-JUXOCIIHSA-N 2 1 387.568 3.504 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463149476 871017966 /nfs/dbraw/zinc/01/79/66/871017966.db2.gz LECQFUIAOZVYLL-QPPBQGQZSA-N 3 1 395.591 3.812 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463149476 871017985 /nfs/dbraw/zinc/01/79/85/871017985.db2.gz LECQFUIAOZVYLL-QPPBQGQZSA-N 3 1 395.591 3.812 20 0 GHADMP COc1ccc(CN2CC[C@H]([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)CC2=O)cc1 ZINC001168941015 871026365 /nfs/dbraw/zinc/02/63/65/871026365.db2.gz KKEHNGWHEQVAEF-VXKWHMMOSA-N 2 1 399.579 3.527 20 0 GHADMP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000463154830 871033842 /nfs/dbraw/zinc/03/38/42/871033842.db2.gz XPZDGDXEOXZZAI-FQEVSTJZSA-N 2 1 383.555 3.943 20 0 GHADMP C[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000463154830 871033850 /nfs/dbraw/zinc/03/38/50/871033850.db2.gz XPZDGDXEOXZZAI-FQEVSTJZSA-N 2 1 383.555 3.943 20 0 GHADMP COc1cccc(O[C@@H](C)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463206566 871135555 /nfs/dbraw/zinc/13/55/55/871135555.db2.gz QGPJLDYKOTYNCW-SFHVURJKSA-N 2 1 386.511 3.898 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](Cc3ccccc3)CC(C)C)CC2)C1 ZINC001169086290 871192396 /nfs/dbraw/zinc/19/23/96/871192396.db2.gz TXLJSFBHDSKERB-GMAHTHKFSA-N 2 1 386.580 3.993 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccccc3C(F)(F)F)CC1)C2 ZINC001169119033 871210178 /nfs/dbraw/zinc/21/01/78/871210178.db2.gz PCXOAPZWVWHXRG-BCDXTJNWSA-N 2 1 381.486 3.666 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449123839 871210329 /nfs/dbraw/zinc/21/03/29/871210329.db2.gz NZYCBUBZIHQJHX-RXVVDRJESA-N 2 1 391.987 3.584 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc31)C2 ZINC001169108513 871233393 /nfs/dbraw/zinc/23/33/93/871233393.db2.gz ADDNLOOORLRQTI-XFKSJGNHSA-N 2 1 383.536 3.651 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc31)C2 ZINC001169108513 871233410 /nfs/dbraw/zinc/23/34/10/871233410.db2.gz ADDNLOOORLRQTI-XFKSJGNHSA-N 2 1 383.536 3.651 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccc(C(F)(F)F)cc3)CCOCC1)C2 ZINC001169109387 871235303 /nfs/dbraw/zinc/23/53/03/871235303.db2.gz BQRNLNVPTGEMMB-LDLYASANSA-N 2 1 382.470 3.968 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000539071138 871258770 /nfs/dbraw/zinc/25/87/70/871258770.db2.gz UTBOTGWORRFNNS-XHSDSOJGSA-N 2 1 399.373 3.998 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC1)C2 ZINC001169152635 871264405 /nfs/dbraw/zinc/26/44/05/871264405.db2.gz CECQRHYZYHVYSG-JKHIJQBDSA-N 3 1 397.607 3.757 20 0 GHADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC1)C2 ZINC001169152635 871264419 /nfs/dbraw/zinc/26/44/19/871264419.db2.gz CECQRHYZYHVYSG-JKHIJQBDSA-N 2 1 397.607 3.757 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(NC(=O)c3ccccc3C(F)(F)F)CC1)C2 ZINC001169152344 871264765 /nfs/dbraw/zinc/26/47/65/871264765.db2.gz BCNCONLLHURSMG-FVQHAEBGSA-N 2 1 395.469 3.525 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154743 871266765 /nfs/dbraw/zinc/26/67/65/871266765.db2.gz TYIWAUUNITYRGS-RSPOEFSDSA-N 2 1 377.573 3.723 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154743 871266786 /nfs/dbraw/zinc/26/67/86/871266786.db2.gz TYIWAUUNITYRGS-RSPOEFSDSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154743 871266802 /nfs/dbraw/zinc/26/68/02/871266802.db2.gz TYIWAUUNITYRGS-RSPOEFSDSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154743 871266822 /nfs/dbraw/zinc/26/68/22/871266822.db2.gz TYIWAUUNITYRGS-RSPOEFSDSA-N 2 1 377.573 3.723 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000525709643 871269146 /nfs/dbraw/zinc/26/91/46/871269146.db2.gz WUKWEKRXMFVDQE-ZYHUDNBSSA-N 2 1 393.272 3.631 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000525709643 871269162 /nfs/dbraw/zinc/26/91/62/871269162.db2.gz WUKWEKRXMFVDQE-ZYHUDNBSSA-N 2 1 393.272 3.631 20 0 GHADMP CC(C)C[N@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155199 871270495 /nfs/dbraw/zinc/27/04/95/871270495.db2.gz ZOLTVUCUVYEKTA-WCIQWLHISA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[N@@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155199 871270509 /nfs/dbraw/zinc/27/05/09/871270509.db2.gz ZOLTVUCUVYEKTA-WCIQWLHISA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155199 871270520 /nfs/dbraw/zinc/27/05/20/871270520.db2.gz ZOLTVUCUVYEKTA-WCIQWLHISA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155199 871270536 /nfs/dbraw/zinc/27/05/36/871270536.db2.gz ZOLTVUCUVYEKTA-WCIQWLHISA-N 2 1 379.589 3.969 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160033 871272703 /nfs/dbraw/zinc/27/27/03/871272703.db2.gz AJCYZGNTKWCGLY-ZGXWSNOMSA-N 2 1 377.573 3.866 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160033 871272713 /nfs/dbraw/zinc/27/27/13/871272713.db2.gz AJCYZGNTKWCGLY-ZGXWSNOMSA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160033 871272726 /nfs/dbraw/zinc/27/27/26/871272726.db2.gz AJCYZGNTKWCGLY-ZGXWSNOMSA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160033 871272734 /nfs/dbraw/zinc/27/27/34/871272734.db2.gz AJCYZGNTKWCGLY-ZGXWSNOMSA-N 2 1 377.573 3.866 20 0 GHADMP CC[NH+]1CCC([NH2+]C2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)CC1 ZINC001169222049 871315385 /nfs/dbraw/zinc/31/53/85/871315385.db2.gz XFEOZCJKNGSVLV-UHFFFAOYSA-N 2 1 387.543 3.703 20 0 GHADMP CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000463281080 871322144 /nfs/dbraw/zinc/32/21/44/871322144.db2.gz JRQMXXDGWIGOHG-LAVRTFCYSA-N 2 1 383.580 3.855 20 0 GHADMP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252741178 871382277 /nfs/dbraw/zinc/38/22/77/871382277.db2.gz IHBWYJDYPBJYNJ-OLZOCXBDSA-N 2 1 388.147 3.928 20 0 GHADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252741178 871382292 /nfs/dbraw/zinc/38/22/92/871382292.db2.gz IHBWYJDYPBJYNJ-OLZOCXBDSA-N 2 1 388.147 3.928 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000461998246 871415225 /nfs/dbraw/zinc/41/52/25/871415225.db2.gz XWOBJCDVYCUPSU-RBBKRZOGSA-N 2 1 388.600 3.660 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000461998583 871418273 /nfs/dbraw/zinc/41/82/73/871418273.db2.gz VKYLCUUVKCMYGY-QUCCMNQESA-N 2 1 394.629 3.894 20 0 GHADMP Cc1c(Cl)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nc2ccccc12 ZINC000525779417 871423266 /nfs/dbraw/zinc/42/32/66/871423266.db2.gz IKQKMGWXOFQWMC-SFHVURJKSA-N 2 1 386.971 3.797 20 0 GHADMP Cc1c(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)nc2ccccc12 ZINC000525779417 871423277 /nfs/dbraw/zinc/42/32/77/871423277.db2.gz IKQKMGWXOFQWMC-SFHVURJKSA-N 2 1 386.971 3.797 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCc3ccc4ccccc4c3)CC2)C[C@@H](C)O1 ZINC000539149719 871432958 /nfs/dbraw/zinc/43/29/58/871432958.db2.gz UPAMZDBLRKRTGX-NHCUHLMSSA-N 2 1 396.575 3.973 20 0 GHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000463363503 871538022 /nfs/dbraw/zinc/53/80/22/871538022.db2.gz YDTITIKOLVDNMW-NVXWUHKLSA-N 2 1 399.373 3.735 20 0 GHADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cc1OCCCO ZINC000463363503 871538027 /nfs/dbraw/zinc/53/80/27/871538027.db2.gz YDTITIKOLVDNMW-NVXWUHKLSA-N 2 1 399.373 3.735 20 0 GHADMP CCCOc1cccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001194240258 871578399 /nfs/dbraw/zinc/57/83/99/871578399.db2.gz JLOYZMZEEDRITC-XMMPIXPASA-N 2 1 393.575 3.868 20 0 GHADMP CCCOc1cccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001194240258 871578406 /nfs/dbraw/zinc/57/84/06/871578406.db2.gz JLOYZMZEEDRITC-XMMPIXPASA-N 2 1 393.575 3.868 20 0 GHADMP CCC[NH+]1CCC([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000539299418 871625686 /nfs/dbraw/zinc/62/56/86/871625686.db2.gz YZPOPYJNCOWCEM-OYRHEFFESA-N 3 1 387.612 3.660 20 0 GHADMP CCCN1CCC([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000539299418 871625691 /nfs/dbraw/zinc/62/56/91/871625691.db2.gz YZPOPYJNCOWCEM-OYRHEFFESA-N 2 1 387.612 3.660 20 0 GHADMP CCCN1CCC([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000539299418 871625696 /nfs/dbraw/zinc/62/56/96/871625696.db2.gz YZPOPYJNCOWCEM-OYRHEFFESA-N 2 1 387.612 3.660 20 0 GHADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000857783069 882540710 /nfs/dbraw/zinc/54/07/10/882540710.db2.gz RQWMNKNBHMFBBD-UHFFFAOYSA-N 2 1 378.307 3.612 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169667371 871737215 /nfs/dbraw/zinc/73/72/15/871737215.db2.gz AQCUITLLWLGMNW-UFYCRDLUSA-N 2 1 391.531 3.909 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCN1 ZINC001169831331 871899094 /nfs/dbraw/zinc/89/90/94/871899094.db2.gz QDVXLXKQIQAUAV-YADHBBJMSA-N 2 1 397.950 3.786 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCN1 ZINC001169831331 871899115 /nfs/dbraw/zinc/89/91/15/871899115.db2.gz QDVXLXKQIQAUAV-YADHBBJMSA-N 2 1 397.950 3.786 20 0 GHADMP CCC[N@H+](Cc1ccc(OC)cc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417524 872166234 /nfs/dbraw/zinc/16/62/34/872166234.db2.gz SYDVBWYZBDEPNX-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP CCC[N@@H+](Cc1ccc(OC)cc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417524 872166253 /nfs/dbraw/zinc/16/62/53/872166253.db2.gz SYDVBWYZBDEPNX-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000552248336 872267153 /nfs/dbraw/zinc/26/71/53/872267153.db2.gz DBCZTOIWWDMORG-FUMNGEBKSA-N 2 1 381.486 3.742 20 0 GHADMP c1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000093604556 872291196 /nfs/dbraw/zinc/29/11/96/872291196.db2.gz NKWLBIZUTRQIKG-HXUWFJFHSA-N 2 1 387.531 3.852 20 0 GHADMP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000093604556 872291211 /nfs/dbraw/zinc/29/12/11/872291211.db2.gz NKWLBIZUTRQIKG-HXUWFJFHSA-N 2 1 387.531 3.852 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H]2CCC[C@H]21 ZINC000552270848 872333783 /nfs/dbraw/zinc/33/37/83/872333783.db2.gz GBIOPUNLBSPTCL-DQEVTTJGSA-N 2 1 383.458 3.626 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000093770158 872410113 /nfs/dbraw/zinc/41/01/13/872410113.db2.gz HYKOVIQZBVILMH-LJQANCHMSA-N 2 1 381.520 3.721 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000093770158 872410121 /nfs/dbraw/zinc/41/01/21/872410121.db2.gz HYKOVIQZBVILMH-LJQANCHMSA-N 2 1 381.520 3.721 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000093770158 872410132 /nfs/dbraw/zinc/41/01/32/872410132.db2.gz HYKOVIQZBVILMH-LJQANCHMSA-N 2 1 381.520 3.721 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000093770158 872410137 /nfs/dbraw/zinc/41/01/37/872410137.db2.gz HYKOVIQZBVILMH-LJQANCHMSA-N 2 1 381.520 3.721 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001195425790 872414280 /nfs/dbraw/zinc/41/42/80/872414280.db2.gz MFDVFFRZTFICRI-ADHNFCLRSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001195425790 872414287 /nfs/dbraw/zinc/41/42/87/872414287.db2.gz MFDVFFRZTFICRI-ADHNFCLRSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001195425790 872414294 /nfs/dbraw/zinc/41/42/94/872414294.db2.gz MFDVFFRZTFICRI-ADHNFCLRSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000478283194 872799190 /nfs/dbraw/zinc/79/91/90/872799190.db2.gz VVIMAAILHHPLGH-UHFFFAOYSA-N 2 1 376.541 3.621 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000552580738 872850221 /nfs/dbraw/zinc/85/02/21/872850221.db2.gz ASPVBXSXELOERI-ICSRJNTNSA-N 2 1 383.536 3.758 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000552580738 872850239 /nfs/dbraw/zinc/85/02/39/872850239.db2.gz ASPVBXSXELOERI-ICSRJNTNSA-N 2 1 383.536 3.758 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000176015607 882658831 /nfs/dbraw/zinc/65/88/31/882658831.db2.gz GHLJGSJBSBELFH-UHFFFAOYSA-N 2 1 378.605 3.547 20 0 GHADMP COc1ccc2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc(=O)oc2c1 ZINC000775691373 872963650 /nfs/dbraw/zinc/96/36/50/872963650.db2.gz UGPZISIPMDGUSV-VGOFRKELSA-N 2 1 392.499 3.802 20 0 GHADMP COc1ccc2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc(=O)oc2c1 ZINC000775691373 872963662 /nfs/dbraw/zinc/96/36/62/872963662.db2.gz UGPZISIPMDGUSV-VGOFRKELSA-N 2 1 392.499 3.802 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCCn3ccnc3)CC2)C1 ZINC000541183093 873102948 /nfs/dbraw/zinc/10/29/48/873102948.db2.gz NFDKCQAIJWFZIE-IBGZPJMESA-N 2 1 389.588 3.595 20 0 GHADMP Cc1ccc([C@H](Cc2ccccc2Br)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000464072988 873171905 /nfs/dbraw/zinc/17/19/05/873171905.db2.gz SRIIFXPTGQTANV-QUCCMNQESA-N 2 1 391.353 3.553 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527632741 873382886 /nfs/dbraw/zinc/38/28/86/873382886.db2.gz VDALKDCIRVMVSG-UHFFFAOYSA-N 2 1 383.359 3.863 20 0 GHADMP CCCOc1c(Cl)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1OC ZINC000134085633 882725464 /nfs/dbraw/zinc/72/54/64/882725464.db2.gz QKPMUCCEFGSTMI-UHFFFAOYSA-N 2 1 396.959 3.682 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)n1cccn1 ZINC000527740268 873543627 /nfs/dbraw/zinc/54/36/27/873543627.db2.gz ZKGSNXALJUPEGI-QZTJIDSGSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)n1cccn1 ZINC000527740268 873543634 /nfs/dbraw/zinc/54/36/34/873543634.db2.gz ZKGSNXALJUPEGI-QZTJIDSGSA-N 2 1 378.442 3.773 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527844353 873667997 /nfs/dbraw/zinc/66/79/97/873667997.db2.gz AWBLSNVDCNHIJN-LJQANCHMSA-N 2 1 390.531 3.770 20 0 GHADMP CC[C@@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527947414 873792724 /nfs/dbraw/zinc/79/27/24/873792724.db2.gz IOSHWXQEQSOICW-TZIWHRDSSA-N 2 1 387.568 3.601 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882233 882762719 /nfs/dbraw/zinc/76/27/19/882762719.db2.gz IYOSEKLAYQQXII-GOTSBHOMSA-N 2 1 392.543 3.509 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196260 873878346 /nfs/dbraw/zinc/87/83/46/873878346.db2.gz UGAZQZGKCCNTCL-HXUWFJFHSA-N 2 1 389.584 3.991 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196260 873878358 /nfs/dbraw/zinc/87/83/58/873878358.db2.gz UGAZQZGKCCNTCL-HXUWFJFHSA-N 2 1 389.584 3.991 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196260 873878379 /nfs/dbraw/zinc/87/83/79/873878379.db2.gz UGAZQZGKCCNTCL-HXUWFJFHSA-N 2 1 389.584 3.991 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000465557306 882780124 /nfs/dbraw/zinc/78/01/24/882780124.db2.gz FYYHEIGCXLDGDO-HSZRJFAPSA-N 2 1 398.595 3.523 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494667743 882781796 /nfs/dbraw/zinc/78/17/96/882781796.db2.gz KGTOZQIGYCBJNN-POAQFYNOSA-N 2 1 397.485 3.737 20 0 GHADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)Cn3c[nH+]c4c3CCCC4)ccc21 ZINC000541757894 874221993 /nfs/dbraw/zinc/22/19/93/874221993.db2.gz IUQCEEGFVXMLGL-UHFFFAOYSA-N 2 1 393.535 3.697 20 0 GHADMP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000528190640 874227442 /nfs/dbraw/zinc/22/74/42/874227442.db2.gz WCLWCKRLZMSCOZ-UHFFFAOYSA-N 2 1 390.325 3.688 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1 ZINC000449083851 874436107 /nfs/dbraw/zinc/43/61/07/874436107.db2.gz DFGDQWKCWQGFQS-LJQANCHMSA-N 2 1 379.548 3.622 20 0 GHADMP CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000537648680 882834456 /nfs/dbraw/zinc/83/44/56/882834456.db2.gz RZEVQJPYNUETAM-DEOSSOPVSA-N 2 1 395.591 3.990 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)CC2)nc(C)[nH+]1 ZINC000449225146 874615736 /nfs/dbraw/zinc/61/57/36/874615736.db2.gz NYDGJSIDMYVTKF-MRXNPFEDSA-N 2 1 376.426 3.757 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449233308 874623087 /nfs/dbraw/zinc/62/30/87/874623087.db2.gz KYYLSHCINMLSJU-GOSISDBHSA-N 2 1 397.519 3.806 20 0 GHADMP COc1cccc(Sc2ccccc2C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000449324027 874707724 /nfs/dbraw/zinc/70/77/24/874707724.db2.gz CPSKGMVARINMCT-UHFFFAOYSA-N 2 1 399.604 3.916 20 0 GHADMP Cn1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c(C(F)(F)F)n1 ZINC000550938533 882855230 /nfs/dbraw/zinc/85/52/30/882855230.db2.gz XOZUGAKLWVKBGP-UHFFFAOYSA-N 2 1 380.458 3.972 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000134341102 882855878 /nfs/dbraw/zinc/85/58/78/882855878.db2.gz SPAPVCAKMYQIOK-QGZVFWFLSA-N 2 1 387.749 3.790 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C3(C2)CCOCC3)cc1 ZINC000449346114 874740193 /nfs/dbraw/zinc/74/01/93/874740193.db2.gz YJUJDFRLTVYXMP-FCHUYYIVSA-N 2 1 384.564 3.607 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000122978238 882860098 /nfs/dbraw/zinc/86/00/98/882860098.db2.gz FHZXTTBCIVUAFM-FYYLOGMGSA-N 2 1 398.595 3.687 20 0 GHADMP CC1(C)C[N@@H+](Cc2cnc3cnccn23)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413576 874806782 /nfs/dbraw/zinc/80/67/82/874806782.db2.gz JKSUYTDREQJCKQ-HSZRJFAPSA-N 2 1 389.547 3.852 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001199188473 874843461 /nfs/dbraw/zinc/84/34/61/874843461.db2.gz DALBXCZFKURBMN-QHCPKHFHSA-N 2 1 383.584 3.549 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCOC3(CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC001199190040 874845119 /nfs/dbraw/zinc/84/51/19/874845119.db2.gz RJVDCKLVLBXSFU-XZOQPEGZSA-N 2 1 385.596 3.837 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCCc2ccsc2)CC1)Cc1ccccc1 ZINC000542102109 874960444 /nfs/dbraw/zinc/96/04/44/874960444.db2.gz HKSOVUJQLGCDQF-UHFFFAOYSA-N 2 1 399.604 3.641 20 0 GHADMP C[NH+](C)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001199600107 875070357 /nfs/dbraw/zinc/07/03/57/875070357.db2.gz RSLSXMOXVHXCBC-DNQXCXABSA-N 2 1 377.576 3.946 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@H]3/C=C/c3cccs3)cn2)CC1 ZINC000542177788 875123984 /nfs/dbraw/zinc/12/39/84/875123984.db2.gz XUHGOSLFSBWYGB-IBDYFIJFSA-N 2 1 397.592 3.748 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@H]3/C=C/c3cccs3)cn2)CC1 ZINC000542177788 875123988 /nfs/dbraw/zinc/12/39/88/875123988.db2.gz XUHGOSLFSBWYGB-IBDYFIJFSA-N 2 1 397.592 3.748 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000537651119 882901594 /nfs/dbraw/zinc/90/15/94/882901594.db2.gz WVICJJXZCDVJPD-UHFFFAOYSA-N 2 1 384.568 3.956 20 0 GHADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000449657573 875193895 /nfs/dbraw/zinc/19/38/95/875193895.db2.gz PSUSJQVJSZCQMC-BDTNDASRSA-N 2 1 382.552 3.634 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(Cl)cc3)cc2)C[C@H](C)O1 ZINC000771574516 875322310 /nfs/dbraw/zinc/32/23/10/875322310.db2.gz HXDYJPOWQYOEPT-JKSBSHDWSA-N 2 1 388.939 3.772 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542362305 875428957 /nfs/dbraw/zinc/42/89/57/875428957.db2.gz QAIIVNSEMRMGQV-UHFFFAOYSA-N 2 1 381.564 3.978 20 0 GHADMP C[C@H](CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451327 875596643 /nfs/dbraw/zinc/59/66/43/875596643.db2.gz SVPIVDUSGHZLTO-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000263179007 882954782 /nfs/dbraw/zinc/95/47/82/882954782.db2.gz GNEFBHBOFHYDDW-UZLBHIALSA-N 2 1 398.378 3.982 20 0 GHADMP CC[C@H](C)C[NH+]1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001201502089 875722645 /nfs/dbraw/zinc/72/26/45/875722645.db2.gz GHAFCPPJBIBUTL-SFTDATJTSA-N 2 1 397.607 3.718 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Cl ZINC000465422530 882966949 /nfs/dbraw/zinc/96/69/49/882966949.db2.gz KGVRCJATSIOAKF-FUHIMQAGSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@@H]1CC[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000450061495 875882385 /nfs/dbraw/zinc/88/23/85/875882385.db2.gz QDMDAKJUWRKJGS-SVFBPWRDSA-N 2 1 377.617 3.713 20 0 GHADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776256913 876062553 /nfs/dbraw/zinc/06/25/53/876062553.db2.gz HLBXPHFXEKPTSI-UHFFFAOYSA-N 2 1 379.335 3.898 20 0 GHADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776256913 876062568 /nfs/dbraw/zinc/06/25/68/876062568.db2.gz HLBXPHFXEKPTSI-UHFFFAOYSA-N 2 1 379.335 3.898 20 0 GHADMP C[N@H+](CCN1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000450397511 876353855 /nfs/dbraw/zinc/35/38/55/876353855.db2.gz VUICFCAUKUXKPP-UHFFFAOYSA-N 2 1 397.538 3.538 20 0 GHADMP C[N@@H+](CCN1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000450397511 876353865 /nfs/dbraw/zinc/35/38/65/876353865.db2.gz VUICFCAUKUXKPP-UHFFFAOYSA-N 2 1 397.538 3.538 20 0 GHADMP CCC[N@H+](C[C@@H](O)[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553299 876606955 /nfs/dbraw/zinc/60/69/55/876606955.db2.gz BJGFGXLNHYTXAG-WMZHIEFXSA-N 2 1 396.579 3.939 20 0 GHADMP CCC[N@@H+](C[C@@H](O)[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553299 876606959 /nfs/dbraw/zinc/60/69/59/876606959.db2.gz BJGFGXLNHYTXAG-WMZHIEFXSA-N 2 1 396.579 3.939 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC000450576078 876635535 /nfs/dbraw/zinc/63/55/35/876635535.db2.gz OHTQBDYAXIDZBW-DNVJHFABSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC000450576078 876635542 /nfs/dbraw/zinc/63/55/42/876635542.db2.gz OHTQBDYAXIDZBW-DNVJHFABSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000450576078 876635547 /nfs/dbraw/zinc/63/55/47/876635547.db2.gz OHTQBDYAXIDZBW-DNVJHFABSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H]2C(C)(C)O)c1 ZINC000450596430 876661511 /nfs/dbraw/zinc/66/15/11/876661511.db2.gz GEXPXDCWFTXDGJ-BGYRXZFFSA-N 2 1 394.987 3.811 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3ccnn3-c3cc[nH+]cc3)cc2)C1 ZINC000850169725 876709730 /nfs/dbraw/zinc/70/97/30/876709730.db2.gz PYRGGYBMSXPWBG-GOSISDBHSA-N 2 1 377.492 3.600 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc(C)c1OC(F)F ZINC000850357284 876848510 /nfs/dbraw/zinc/84/85/10/876848510.db2.gz DODJLIYGIUFQIB-FQEVSTJZSA-N 2 1 390.474 3.761 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000850446644 876930412 /nfs/dbraw/zinc/93/04/12/876930412.db2.gz AWBDISDNJCHJHQ-UREXAPBRSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458454 876940452 /nfs/dbraw/zinc/94/04/52/876940452.db2.gz SNOSTCITTRQMTF-WZONZLPQSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000174431810 877022122 /nfs/dbraw/zinc/02/21/22/877022122.db2.gz FGULNBGHQCLPPV-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850566086 877031499 /nfs/dbraw/zinc/03/14/99/877031499.db2.gz VGQQMCKZJBFOQA-MBWMYHPJSA-N 2 1 399.579 3.886 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000850582765 877057029 /nfs/dbraw/zinc/05/70/29/877057029.db2.gz LCLHVBSBPVJVBG-CWTRNNRKSA-N 2 1 375.394 3.982 20 0 GHADMP O=C(OCc1ccccc1)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000786968876 877058084 /nfs/dbraw/zinc/05/80/84/877058084.db2.gz TZITUEUTOJVSLP-YTFSRNRJSA-N 2 1 378.516 3.730 20 0 GHADMP O[C@@H](COc1ccc(F)cc1)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475749861 883107855 /nfs/dbraw/zinc/10/78/55/883107855.db2.gz RPHBLBRNEDGUMC-ISKFKSNPSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475749861 883107861 /nfs/dbraw/zinc/10/78/61/883107861.db2.gz RPHBLBRNEDGUMC-ISKFKSNPSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccc(F)cc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475749861 883107870 /nfs/dbraw/zinc/10/78/70/883107870.db2.gz RPHBLBRNEDGUMC-ISKFKSNPSA-N 2 1 398.522 3.554 20 0 GHADMP CC(C)[NH+](Cc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)ccc1F)[C@H]1CCOC1 ZINC000451046958 877275927 /nfs/dbraw/zinc/27/59/27/877275927.db2.gz AXCLKEGKBQYKQD-RTWAWAEBSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)[NH+](Cc1ccc(F)c(C[N@H+](C(C)C)[C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000451046958 877275943 /nfs/dbraw/zinc/27/59/43/877275943.db2.gz AXCLKEGKBQYKQD-RTWAWAEBSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)[NH+](Cc1ccc(F)c(C[N@@H+](C(C)C)[C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000451046958 877275957 /nfs/dbraw/zinc/27/59/57/877275957.db2.gz AXCLKEGKBQYKQD-RTWAWAEBSA-N 2 1 378.532 3.824 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248569 877332370 /nfs/dbraw/zinc/33/23/70/877332370.db2.gz MSDZTMPEEJCBDJ-MRXNPFEDSA-N 2 1 376.850 3.949 20 0 GHADMP Fc1ccc(-c2nc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000530240816 877350535 /nfs/dbraw/zinc/35/05/35/877350535.db2.gz OFMDMBFTBWRIOV-LJQANCHMSA-N 2 1 375.513 3.540 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1 ZINC000788190129 877897102 /nfs/dbraw/zinc/89/71/02/877897102.db2.gz WRFLOZXHNYDSLH-NRFANRHFSA-N 2 1 396.535 3.761 20 0 GHADMP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713158 912294622 /nfs/dbraw/zinc/29/46/22/912294622.db2.gz SBAQHKYJNWUVQO-HXUWFJFHSA-N 2 1 383.580 3.942 20 0 GHADMP CCC(CC)[C@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCCC1 ZINC000615654911 877982887 /nfs/dbraw/zinc/98/28/87/877982887.db2.gz RUPXIEIIHWFFTD-NRFANRHFSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000530576573 878062167 /nfs/dbraw/zinc/06/21/67/878062167.db2.gz LDHFYWYZEZNVRZ-MAUKXSAKSA-N 2 1 385.474 3.546 20 0 GHADMP COC(=O)N1CCC([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000788763490 878299800 /nfs/dbraw/zinc/29/98/00/878299800.db2.gz JAEJODKSYHZCKA-OSFYOIPJSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788732344 878306325 /nfs/dbraw/zinc/30/63/25/878306325.db2.gz FAXSNOIGIDEJQV-AZUAARDMSA-N 2 1 399.579 3.886 20 0 GHADMP COc1ccc(COCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245661995 878314763 /nfs/dbraw/zinc/31/47/63/878314763.db2.gz FVHYHFGUMSTOMP-WBDAEOGXSA-N 2 1 380.532 3.997 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000245669583 878332808 /nfs/dbraw/zinc/33/28/08/878332808.db2.gz HQFZDDQTMOYJKR-XLIONFOSSA-N 2 1 395.950 3.709 20 0 GHADMP Cc1ccc(-c2noc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000530701175 878344531 /nfs/dbraw/zinc/34/45/31/878344531.db2.gz HMARXJAGTJRPFU-KDURUIRLSA-N 2 1 398.551 3.756 20 0 GHADMP Cc1ccc(-c2noc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000530701175 878344544 /nfs/dbraw/zinc/34/45/44/878344544.db2.gz HMARXJAGTJRPFU-KDURUIRLSA-N 2 1 398.551 3.756 20 0 GHADMP O=C(CC1CCCCC1)NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245684057 878369229 /nfs/dbraw/zinc/36/92/29/878369229.db2.gz JGLVQQVZCBWREO-NUNAXRQHSA-N 2 1 383.580 3.858 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(C)ccc1OC ZINC000537889488 878464082 /nfs/dbraw/zinc/46/40/82/878464082.db2.gz XRJIPXJHGSIEGO-QHCPKHFHSA-N 2 1 381.564 3.992 20 0 GHADMP O=C(NCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000245745802 878522643 /nfs/dbraw/zinc/52/26/43/878522643.db2.gz SOJWFDUVMUPKBG-NUNAXRQHSA-N 2 1 395.522 3.731 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)CC2)c1 ZINC001168448080 878693420 /nfs/dbraw/zinc/69/34/20/878693420.db2.gz ZGRWFRPNGJJSNI-HSZRJFAPSA-N 2 1 396.506 3.724 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000616267797 878733065 /nfs/dbraw/zinc/73/30/65/878733065.db2.gz VIVKUSGKOCEFFD-HXUWFJFHSA-N 2 1 383.511 3.781 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177682060 878812676 /nfs/dbraw/zinc/81/26/76/878812676.db2.gz HSXBXBBXWGQSRR-LJQANCHMSA-N 2 1 387.543 3.561 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538098289 878836242 /nfs/dbraw/zinc/83/62/42/878836242.db2.gz FKNLCNKJVUPOGQ-CRAIPNDOSA-N 2 1 384.351 3.622 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1)C[C@H]1CCCCO1 ZINC000538219707 879038941 /nfs/dbraw/zinc/03/89/41/879038941.db2.gz SFAUMGGSDQOVES-JOCHJYFZSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C(C)C)c1 ZINC000643085342 912453653 /nfs/dbraw/zinc/45/36/53/912453653.db2.gz MZKDIIQNLJPXPH-DHIUTWEWSA-N 2 1 398.595 3.654 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246351703 879445699 /nfs/dbraw/zinc/44/56/99/879445699.db2.gz HSNZFJTXIXMWQD-DNVJHFABSA-N 2 1 384.564 3.747 20 0 GHADMP CC1(C)C[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045491 879472201 /nfs/dbraw/zinc/47/22/01/879472201.db2.gz ZHIRSAQXWFAUIF-VXKWHMMOSA-N 2 1 397.563 3.592 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)N(CN1C[C@@]2(CN3CCC2CC3)OC1=O)C1CC1 ZINC000790370078 879672417 /nfs/dbraw/zinc/67/24/17/879672417.db2.gz NXWJRUBGSLHPFW-YCRPNKLZSA-N 2 1 389.927 3.740 20 0 GHADMP COC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000493917147 879716366 /nfs/dbraw/zinc/71/63/66/879716366.db2.gz PHRSVCLHZMLKSV-NNWRFLSQSA-N 2 1 388.939 3.500 20 0 GHADMP COC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000493917147 879716376 /nfs/dbraw/zinc/71/63/76/879716376.db2.gz PHRSVCLHZMLKSV-NNWRFLSQSA-N 2 1 388.939 3.500 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000493894627 879723937 /nfs/dbraw/zinc/72/39/37/879723937.db2.gz PNRHSYCNVSLTOM-GOSISDBHSA-N 2 1 393.369 3.979 20 0 GHADMP COc1ccc2c(c1)C(=O)N(CN1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000790443225 879729710 /nfs/dbraw/zinc/72/97/10/879729710.db2.gz JMLSBCVLXUDIHU-SFHVURJKSA-N 2 1 385.552 3.585 20 0 GHADMP C[NH+](C)CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCC1 ZINC000246651150 879740976 /nfs/dbraw/zinc/74/09/76/879740976.db2.gz PIRJISOXJRUSHH-PXNSSMCTSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@H]1[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000494027653 879838707 /nfs/dbraw/zinc/83/87/07/879838707.db2.gz NNIVYYUZQVFALT-WMZHIEFXSA-N 2 1 377.532 3.675 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)[C@@H](C)C1 ZINC000246964919 879865444 /nfs/dbraw/zinc/86/54/44/879865444.db2.gz JAVARACBQKBBNR-QFBILLFUSA-N 2 1 395.385 3.817 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000247034676 879893404 /nfs/dbraw/zinc/89/34/04/879893404.db2.gz ZXZBFLPOXGRFOV-BJKOFHAPSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000247034676 879893418 /nfs/dbraw/zinc/89/34/18/879893418.db2.gz ZXZBFLPOXGRFOV-BJKOFHAPSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000247034676 879893437 /nfs/dbraw/zinc/89/34/37/879893437.db2.gz ZXZBFLPOXGRFOV-BJKOFHAPSA-N 2 1 391.559 3.875 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000247042224 879897037 /nfs/dbraw/zinc/89/70/37/879897037.db2.gz MUCQXJHVVNSYNM-KBXCAEBGSA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000247042224 879897018 /nfs/dbraw/zinc/89/70/18/879897018.db2.gz MUCQXJHVVNSYNM-KBXCAEBGSA-N 2 1 387.337 3.815 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000531482681 879926602 /nfs/dbraw/zinc/92/66/02/879926602.db2.gz XAGGFMIGCDLWDA-YJLNNSPDSA-N 2 1 397.485 3.830 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000531482681 879926610 /nfs/dbraw/zinc/92/66/10/879926610.db2.gz XAGGFMIGCDLWDA-YJLNNSPDSA-N 2 1 397.485 3.830 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000531482676 879926726 /nfs/dbraw/zinc/92/67/26/879926726.db2.gz XAGGFMIGCDLWDA-BJZITVGISA-N 2 1 397.485 3.830 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000531482676 879926744 /nfs/dbraw/zinc/92/67/44/879926744.db2.gz XAGGFMIGCDLWDA-BJZITVGISA-N 2 1 397.485 3.830 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000247207877 879942911 /nfs/dbraw/zinc/94/29/11/879942911.db2.gz WTPGNGUPIBKPSK-QZTJIDSGSA-N 2 1 381.586 3.753 20 0 GHADMP CCC(CC)(CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000247235630 879950439 /nfs/dbraw/zinc/95/04/39/879950439.db2.gz OJAPLMSTLNIGBE-UXHICEINSA-N 2 1 388.600 3.879 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC(=O)Nc4ccccc43)CC2)oc1C ZINC000542475071 879977228 /nfs/dbraw/zinc/97/72/28/879977228.db2.gz SSNWDDVAYGTYTB-LJQANCHMSA-N 2 1 382.508 3.567 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000790749342 879980233 /nfs/dbraw/zinc/98/02/33/879980233.db2.gz ZAHFLPLFLXPKCM-TTWXDQCFSA-N 2 1 399.579 3.934 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNCc2nc3ccc(C)cc3[nH]2)CC1 ZINC000531530637 880034285 /nfs/dbraw/zinc/03/42/85/880034285.db2.gz HRMWDMBHQILKDV-UHFFFAOYSA-N 2 1 377.536 3.693 20 0 GHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677374 880306405 /nfs/dbraw/zinc/30/64/05/880306405.db2.gz LPZYBMRSHKPKGH-FXAWDEMLSA-N 2 1 375.557 3.787 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000531683031 880314950 /nfs/dbraw/zinc/31/49/50/880314950.db2.gz QBTTTYVPQQUNAV-VWLOTQADSA-N 2 1 393.575 4.000 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531705585 880333363 /nfs/dbraw/zinc/33/33/63/880333363.db2.gz PGGYYVUATCEGOJ-AZUAARDMSA-N 2 1 377.532 3.787 20 0 GHADMP CN(C)C(=O)c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453066985 880387314 /nfs/dbraw/zinc/38/73/14/880387314.db2.gz IWPJSIQWZREJMQ-VXNXHJTFSA-N 2 1 391.559 3.921 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453066985 880387322 /nfs/dbraw/zinc/38/73/22/880387322.db2.gz IWPJSIQWZREJMQ-VXNXHJTFSA-N 2 1 391.559 3.921 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453066985 880387333 /nfs/dbraw/zinc/38/73/33/880387333.db2.gz IWPJSIQWZREJMQ-VXNXHJTFSA-N 2 1 391.559 3.921 20 0 GHADMP C[C@H](CCCc1cccnc1)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000453080398 880433440 /nfs/dbraw/zinc/43/34/40/880433440.db2.gz LRACBTDMPFCFDD-ZJSXRUAMSA-N 2 1 380.580 3.761 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnc(C4CC4)nc3)[C@H]3CCC[C@H]32)cc1 ZINC000453173370 880577080 /nfs/dbraw/zinc/57/70/80/880577080.db2.gz IPWKTDXFBYQFGC-XPWALMASSA-N 2 1 376.548 3.929 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185518485 880607199 /nfs/dbraw/zinc/60/71/99/880607199.db2.gz MNASZAKFNLBMHG-OAHLLOKOSA-N 2 1 375.463 3.663 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CCCO1 ZINC000453218943 880637725 /nfs/dbraw/zinc/63/77/25/880637725.db2.gz SKDFOVJOLRLIJQ-UIFIKXQLSA-N 2 1 380.960 3.521 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000453378775 880863462 /nfs/dbraw/zinc/86/34/62/880863462.db2.gz ADWPZQUFXJDVLF-KCSJKLDESA-N 2 1 394.563 3.673 20 0 GHADMP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1C ZINC000453417717 880884005 /nfs/dbraw/zinc/88/40/05/880884005.db2.gz CGZDQDHCLDOCDZ-DEOSSOPVSA-N 2 1 384.539 3.643 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC001275207251 912619203 /nfs/dbraw/zinc/61/92/03/912619203.db2.gz PSTPPIAKUBSHRK-FQEVSTJZSA-N 2 1 398.378 3.760 20 0 GHADMP C[N@@H+](CCCC[NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CC1 ZINC000453420166 880918374 /nfs/dbraw/zinc/91/83/74/880918374.db2.gz ZKTGGUBSHKLQGP-UHFFFAOYSA-N 2 1 394.401 3.878 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OCC ZINC000532015855 880926129 /nfs/dbraw/zinc/92/61/29/880926129.db2.gz APHFHKREFVCHFS-RTWAWAEBSA-N 2 1 390.568 3.732 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001183533373 912640829 /nfs/dbraw/zinc/64/08/29/912640829.db2.gz KMCUIPGARUNKLX-GOSISDBHSA-N 2 1 390.572 3.923 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)C[C@@H](C)O1 ZINC000119666431 881089720 /nfs/dbraw/zinc/08/97/20/881089720.db2.gz WDVNXFSUEBBTDC-HZPDHXFCSA-N 2 1 375.488 3.678 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000537622200 881099231 /nfs/dbraw/zinc/09/92/31/881099231.db2.gz QHIHISLPBHLZIW-UHFFFAOYSA-N 2 1 387.531 3.960 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000074001159 881215108 /nfs/dbraw/zinc/21/51/08/881215108.db2.gz VLCBNPNDMQCKAA-ROUUACIJSA-N 2 1 378.605 3.592 20 0 GHADMP C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499140233 881245968 /nfs/dbraw/zinc/24/59/68/881245968.db2.gz GSUGOLDULDKIDZ-OJJQZRKESA-N 2 1 377.576 3.945 20 0 GHADMP CCN(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000532154175 881263973 /nfs/dbraw/zinc/26/39/73/881263973.db2.gz UZFPDZGHMLPGOP-GOSISDBHSA-N 2 1 377.548 3.787 20 0 GHADMP C[NH+](C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144456 881269031 /nfs/dbraw/zinc/26/90/31/881269031.db2.gz CZNQQICDVOARRF-NDBXHCKUSA-N 2 1 377.576 3.945 20 0 GHADMP CN(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144456 881269044 /nfs/dbraw/zinc/26/90/44/881269044.db2.gz CZNQQICDVOARRF-NDBXHCKUSA-N 2 1 377.576 3.945 20 0 GHADMP CN(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144456 881269051 /nfs/dbraw/zinc/26/90/51/881269051.db2.gz CZNQQICDVOARRF-NDBXHCKUSA-N 2 1 377.576 3.945 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn(-c2ccccc2)nn1 ZINC000181338203 883140067 /nfs/dbraw/zinc/14/00/67/883140067.db2.gz UQOPETXNFHZRFQ-ZWKOTPCHSA-N 2 1 379.508 3.620 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181338189 883140354 /nfs/dbraw/zinc/14/03/54/883140354.db2.gz UQOPETXNFHZRFQ-MSOLQXFVSA-N 2 1 379.508 3.620 20 0 GHADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000537694405 883206321 /nfs/dbraw/zinc/20/63/21/883206321.db2.gz KHVAZAMNIZPHRJ-IRFCIJBXSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000537694405 883206338 /nfs/dbraw/zinc/20/63/38/883206338.db2.gz KHVAZAMNIZPHRJ-IRFCIJBXSA-N 2 1 376.541 3.558 20 0 GHADMP Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1Cl ZINC001211910508 883328210 /nfs/dbraw/zinc/32/82/10/883328210.db2.gz FIVQXIPHAANLTL-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1Cl ZINC001211910508 883328226 /nfs/dbraw/zinc/32/82/26/883328226.db2.gz FIVQXIPHAANLTL-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001168157999 883410532 /nfs/dbraw/zinc/41/05/32/883410532.db2.gz BNBBWWQGBPFEAR-KAGYGMCKSA-N 2 1 389.559 3.617 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000476988936 883521756 /nfs/dbraw/zinc/52/17/56/883521756.db2.gz WVQZRFSBZLTJEN-INIZCTEOSA-N 2 1 398.016 3.994 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000476988936 883521765 /nfs/dbraw/zinc/52/17/65/883521765.db2.gz WVQZRFSBZLTJEN-INIZCTEOSA-N 2 1 398.016 3.994 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000859106312 883591774 /nfs/dbraw/zinc/59/17/74/883591774.db2.gz JZQBTSRAQQLCSP-IBGZPJMESA-N 2 1 379.589 3.687 20 0 GHADMP C[Si](C)(CC[NH+]1CCC2(C1)CCOCC2)CC[N@H+]1CCC2(C1)CCOCC2 ZINC000859152667 883621722 /nfs/dbraw/zinc/62/17/22/883621722.db2.gz UAGFSYJPYAYQLL-UHFFFAOYSA-N 2 1 394.676 3.700 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1Cl ZINC000465430177 883644335 /nfs/dbraw/zinc/64/43/35/883644335.db2.gz YIVCUJFNLYRITH-LPHOPBHVSA-N 2 1 380.964 3.506 20 0 GHADMP Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000455888522 883658223 /nfs/dbraw/zinc/65/82/23/883658223.db2.gz DKIFHPOCBNKSJZ-UHFFFAOYSA-N 2 1 398.595 3.536 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215028 883668651 /nfs/dbraw/zinc/66/86/51/883668651.db2.gz UQRQXAZEVWEIJL-HNNXBMFYSA-N 2 1 389.927 3.869 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215028 883668662 /nfs/dbraw/zinc/66/86/62/883668662.db2.gz UQRQXAZEVWEIJL-HNNXBMFYSA-N 2 1 389.927 3.869 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000859296776 883726771 /nfs/dbraw/zinc/72/67/71/883726771.db2.gz PIUSOUGWHDEIKF-SZPZYZBQSA-N 2 1 394.676 3.700 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000859296776 883726780 /nfs/dbraw/zinc/72/67/80/883726780.db2.gz PIUSOUGWHDEIKF-SZPZYZBQSA-N 2 1 394.676 3.700 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000859296776 883726790 /nfs/dbraw/zinc/72/67/90/883726790.db2.gz PIUSOUGWHDEIKF-SZPZYZBQSA-N 2 1 394.676 3.700 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000079198837 883743300 /nfs/dbraw/zinc/74/33/00/883743300.db2.gz DMWVEXTUGBJBGT-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP CCC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000551386789 883779828 /nfs/dbraw/zinc/77/98/28/883779828.db2.gz DCSAIPQLADLBFG-WBADGQHESA-N 2 1 386.580 3.803 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000194819045 883953332 /nfs/dbraw/zinc/95/33/32/883953332.db2.gz GUNNXPNLODCRJP-UHFFFAOYSA-N 2 1 391.559 3.923 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793157 884078492 /nfs/dbraw/zinc/07/84/92/884078492.db2.gz GLRMZFVMBYJYCU-NRFANRHFSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793157 884078509 /nfs/dbraw/zinc/07/85/09/884078509.db2.gz GLRMZFVMBYJYCU-NRFANRHFSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccc(OC(C)C)cc32)CC1 ZINC000556196621 884081951 /nfs/dbraw/zinc/08/19/51/884081951.db2.gz LPJLIWLOPFQSNO-UHFFFAOYSA-N 2 1 380.492 3.949 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508880081 884083389 /nfs/dbraw/zinc/08/33/89/884083389.db2.gz KSTVIASZCKMNHG-SIKLNZKXSA-N 2 1 388.600 3.831 20 0 GHADMP C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000495056314 884459022 /nfs/dbraw/zinc/45/90/22/884459022.db2.gz CPLLESACNBIXPI-CQSZACIVSA-N 2 1 390.528 3.550 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000130390300 884622657 /nfs/dbraw/zinc/62/26/57/884622657.db2.gz XLAVMNHPXLVLLP-CYBMUJFWSA-N 2 1 383.323 3.698 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000130390300 884622669 /nfs/dbraw/zinc/62/26/69/884622669.db2.gz XLAVMNHPXLVLLP-CYBMUJFWSA-N 2 1 383.323 3.698 20 0 GHADMP CCSc1ccc([C@@H](C)NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000105246922 884682129 /nfs/dbraw/zinc/68/21/29/884682129.db2.gz TWTJSFGLULCFLM-QGZVFWFLSA-N 2 1 392.613 3.527 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000460345449 884954542 /nfs/dbraw/zinc/95/45/42/884954542.db2.gz GSOIUAORJDJGOL-WOJBJXKFSA-N 2 1 391.559 3.712 20 0 GHADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000498608731 885043674 /nfs/dbraw/zinc/04/36/74/885043674.db2.gz ZNJBADZVNGOCIX-WMZHIEFXSA-N 2 1 398.595 3.746 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000130769509 885105675 /nfs/dbraw/zinc/10/56/75/885105675.db2.gz KHBUTNPHRCXIEB-ROUUACIJSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000130769509 885105677 /nfs/dbraw/zinc/10/56/77/885105677.db2.gz KHBUTNPHRCXIEB-ROUUACIJSA-N 2 1 378.520 3.933 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000648763146 885275602 /nfs/dbraw/zinc/27/56/02/885275602.db2.gz FYZBBCPIAWECNF-QGZVFWFLSA-N 2 1 396.539 3.727 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000302980897 885409855 /nfs/dbraw/zinc/40/98/55/885409855.db2.gz JOYGFFMJTVTPQZ-FCGDIQPGSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498719171 885475905 /nfs/dbraw/zinc/47/59/05/885475905.db2.gz PNVLFQICTWDGME-PMVMPFDFSA-N 2 1 398.595 3.557 20 0 GHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC000465487589 885480878 /nfs/dbraw/zinc/48/08/78/885480878.db2.gz DUEIHIJHHXYFKE-UXHICEINSA-N 2 1 394.991 3.849 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000108561630 885746636 /nfs/dbraw/zinc/74/66/36/885746636.db2.gz UFOLFYKJFPVHGE-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000108561630 885746648 /nfs/dbraw/zinc/74/66/48/885746648.db2.gz UFOLFYKJFPVHGE-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000108561630 885746658 /nfs/dbraw/zinc/74/66/58/885746658.db2.gz UFOLFYKJFPVHGE-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000108706254 885826449 /nfs/dbraw/zinc/82/64/49/885826449.db2.gz NBFUQXFKODWLRC-RPWUZVMVSA-N 2 1 391.559 3.852 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C[C@@H]1c1ccccc1 ZINC000550678918 885848375 /nfs/dbraw/zinc/84/83/75/885848375.db2.gz YQCOZJOUKJINRY-XZOQPEGZSA-N 2 1 385.596 3.694 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C[C@@H]1c1ccccc1 ZINC000550678918 885848385 /nfs/dbraw/zinc/84/83/85/885848385.db2.gz YQCOZJOUKJINRY-XZOQPEGZSA-N 2 1 385.596 3.694 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000915256755 886148445 /nfs/dbraw/zinc/14/84/45/886148445.db2.gz KIASLHSCUZUCEK-UHFFFAOYSA-N 2 1 397.592 3.570 20 0 GHADMP C[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155071088 886259250 /nfs/dbraw/zinc/25/92/50/886259250.db2.gz KMPGLNXOYBCPIP-KRWDZBQOSA-N 2 1 377.598 3.580 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001170550802 886294577 /nfs/dbraw/zinc/29/45/77/886294577.db2.gz HINZGJQTFOJRJE-QBYKVAOYSA-N 2 1 376.566 3.622 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001170550802 886294595 /nfs/dbraw/zinc/29/45/95/886294595.db2.gz HINZGJQTFOJRJE-QBYKVAOYSA-N 2 1 376.566 3.622 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001170550802 886294615 /nfs/dbraw/zinc/29/46/15/886294615.db2.gz HINZGJQTFOJRJE-QBYKVAOYSA-N 2 1 376.566 3.622 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000114022246 886304727 /nfs/dbraw/zinc/30/47/27/886304727.db2.gz PRXZJCCENJJRGE-MOPGFXCFSA-N 2 1 378.605 3.545 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000556867637 886385438 /nfs/dbraw/zinc/38/54/38/886385438.db2.gz RLBSLNOBVABRRR-ROUUACIJSA-N 2 1 380.960 3.739 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000073202495 886613259 /nfs/dbraw/zinc/61/32/59/886613259.db2.gz ISZDQHSYACMODD-BHIFYINESA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000073202495 886613272 /nfs/dbraw/zinc/61/32/72/886613272.db2.gz ISZDQHSYACMODD-BHIFYINESA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000073202495 886613282 /nfs/dbraw/zinc/61/32/82/886613282.db2.gz ISZDQHSYACMODD-BHIFYINESA-N 2 1 392.632 3.937 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000119371042 886623887 /nfs/dbraw/zinc/62/38/87/886623887.db2.gz YMCMBAAWRXJZOU-NSISKUIASA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000119371042 886623893 /nfs/dbraw/zinc/62/38/93/886623893.db2.gz YMCMBAAWRXJZOU-NSISKUIASA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000119371042 886623897 /nfs/dbraw/zinc/62/38/97/886623897.db2.gz YMCMBAAWRXJZOU-NSISKUIASA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000119371042 886623900 /nfs/dbraw/zinc/62/39/00/886623900.db2.gz YMCMBAAWRXJZOU-NSISKUIASA-N 2 1 392.975 3.505 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000236836512 886888567 /nfs/dbraw/zinc/88/85/67/886888567.db2.gz MSZPZPSAVRQCJA-NRFANRHFSA-N 2 1 389.547 3.815 20 0 GHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000128112139 887147041 /nfs/dbraw/zinc/14/70/41/887147041.db2.gz UFWUQRWMDATYBB-UHFFFAOYSA-N 2 1 382.552 3.989 20 0 GHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000128112139 887147051 /nfs/dbraw/zinc/14/70/51/887147051.db2.gz UFWUQRWMDATYBB-UHFFFAOYSA-N 2 1 382.552 3.989 20 0 GHADMP COc1ccc2c(c1)[C@@H]([N@@H+](CCc1cncn1C)Cc1ccccc1)CCO2 ZINC000459335961 887459188 /nfs/dbraw/zinc/45/91/88/887459188.db2.gz HCXDVNZVYRSWPX-QFIPXVFZSA-N 2 1 377.488 3.997 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]2CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000809647785 887654673 /nfs/dbraw/zinc/65/46/73/887654673.db2.gz GNBNBNSWNPXTIY-UHFFFAOYSA-N 2 1 385.552 3.595 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809664833 887689861 /nfs/dbraw/zinc/68/98/61/887689861.db2.gz KSJIUBXFKLBZKO-WSTZPKSXSA-N 2 1 375.557 3.790 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000809723689 887747755 /nfs/dbraw/zinc/74/77/55/887747755.db2.gz LZEGLLDBBYQYFO-IBGZPJMESA-N 2 1 399.539 3.845 20 0 GHADMP C[N@H+]1C[C@]23C[NH+](C[C@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001184399622 913180836 /nfs/dbraw/zinc/18/08/36/913180836.db2.gz ZELKPZUHLVWTOA-RJGXRXQPSA-N 2 1 391.600 3.831 20 0 GHADMP C[NH+]1C[C@]23C[N@H+](C[C@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001184399622 913180844 /nfs/dbraw/zinc/18/08/44/913180844.db2.gz ZELKPZUHLVWTOA-RJGXRXQPSA-N 2 1 391.600 3.831 20 0 GHADMP C[NH+]1C[C@]23C[N@@H+](C[C@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001184399622 913180849 /nfs/dbraw/zinc/18/08/49/913180849.db2.gz ZELKPZUHLVWTOA-RJGXRXQPSA-N 2 1 391.600 3.831 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001184403195 913186566 /nfs/dbraw/zinc/18/65/66/913186566.db2.gz AHGXRDZQWMOUTM-AZUAARDMSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403195 913186571 /nfs/dbraw/zinc/18/65/71/913186571.db2.gz AHGXRDZQWMOUTM-AZUAARDMSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403195 913186577 /nfs/dbraw/zinc/18/65/77/913186577.db2.gz AHGXRDZQWMOUTM-AZUAARDMSA-N 2 1 391.987 3.933 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404344 913191407 /nfs/dbraw/zinc/19/14/07/913191407.db2.gz GODPDJLVQPXRGY-QFUCXCTJSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404344 913191417 /nfs/dbraw/zinc/19/14/17/913191417.db2.gz GODPDJLVQPXRGY-QFUCXCTJSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404344 913191423 /nfs/dbraw/zinc/19/14/23/913191423.db2.gz GODPDJLVQPXRGY-QFUCXCTJSA-N 2 1 391.987 3.787 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810086876 888142168 /nfs/dbraw/zinc/14/21/68/888142168.db2.gz NUPRPUSCFNLBCQ-IBGZPJMESA-N 2 1 376.545 3.551 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccnc3Br)cc2)CC1 ZINC000865557068 888441897 /nfs/dbraw/zinc/44/18/97/888441897.db2.gz FYDVTWBSWUIVRM-UHFFFAOYSA-N 2 1 390.325 3.607 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810413194 888478679 /nfs/dbraw/zinc/47/86/79/888478679.db2.gz QXFSNTWZMJPBTP-HTAPYJJXSA-N 2 1 375.532 3.541 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4cnn(C)c4)s3)CC2)oc1C ZINC000282134750 888519857 /nfs/dbraw/zinc/51/98/57/888519857.db2.gz AEQMJBOSZNJMNA-UHFFFAOYSA-N 2 1 399.564 3.755 20 0 GHADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC000123306964 888599379 /nfs/dbraw/zinc/59/93/79/888599379.db2.gz PMUQEWXOWJNCTC-IBGZPJMESA-N 2 1 399.501 3.714 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000509670883 888755215 /nfs/dbraw/zinc/75/52/15/888755215.db2.gz MQFFOBWRKKTBKS-UHFFFAOYSA-N 2 1 391.559 3.776 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000532741737 888867471 /nfs/dbraw/zinc/86/74/71/888867471.db2.gz NELUCKXLJOZVFY-UHFFFAOYSA-N 2 1 386.971 3.879 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC001168509250 888871010 /nfs/dbraw/zinc/87/10/10/888871010.db2.gz JUHRNDULADSCGU-OAQYLSRUSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC001168509250 888871022 /nfs/dbraw/zinc/87/10/22/888871022.db2.gz JUHRNDULADSCGU-OAQYLSRUSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC001168509250 888871027 /nfs/dbraw/zinc/87/10/27/888871027.db2.gz JUHRNDULADSCGU-OAQYLSRUSA-N 2 1 383.580 3.541 20 0 GHADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000532783940 888939644 /nfs/dbraw/zinc/93/96/44/888939644.db2.gz VURKWLQAFDOUCA-KRWDZBQOSA-N 2 1 383.355 3.580 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657325 889177021 /nfs/dbraw/zinc/17/70/21/889177021.db2.gz DWKOSKTWIAFNMT-HFBCXCLPSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657325 889177028 /nfs/dbraw/zinc/17/70/28/889177028.db2.gz DWKOSKTWIAFNMT-HFBCXCLPSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657325 889177030 /nfs/dbraw/zinc/17/70/30/889177030.db2.gz DWKOSKTWIAFNMT-HFBCXCLPSA-N 2 1 399.623 3.909 20 0 GHADMP C[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000868181054 889339061 /nfs/dbraw/zinc/33/90/61/889339061.db2.gz NDVJTTZYAGHTIL-ZKMOHVOUSA-N 2 1 378.520 3.533 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530886 913344893 /nfs/dbraw/zinc/34/48/93/913344893.db2.gz RRBGGXSTNCRGNZ-GOTSBHOMSA-N 2 1 382.548 3.545 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCN(c4ccccn4)CC2)C3)cc1 ZINC000245784084 889718057 /nfs/dbraw/zinc/71/80/57/889718057.db2.gz ZHESERSFQFISCE-NUNAXRQHSA-N 2 1 376.548 3.836 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000125204118 889908506 /nfs/dbraw/zinc/90/85/06/889908506.db2.gz JYPLDWPGSLBNOG-FQEVSTJZSA-N 2 1 378.564 3.861 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000533321445 890271147 /nfs/dbraw/zinc/27/11/47/890271147.db2.gz LOJMWCNEBDXGAR-YLJYHZDGSA-N 2 1 394.991 3.610 20 0 GHADMP [NH3+][C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000870927663 890577762 /nfs/dbraw/zinc/57/77/62/890577762.db2.gz ADQWTDPPNZNAFB-KDYLLFBJSA-N 2 1 384.351 3.592 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)c(C(F)F)c3)CC2)CC1 ZINC000871274396 890721453 /nfs/dbraw/zinc/72/14/53/890721453.db2.gz VGNGRWIRLWPSGN-UHFFFAOYSA-N 2 1 383.458 3.898 20 0 GHADMP CN(C)C[C@@](C)(O)C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000533563151 890852288 /nfs/dbraw/zinc/85/22/88/890852288.db2.gz HSYJHTFVNRSLBM-FQEVSTJZSA-N 2 1 397.346 3.975 20 0 GHADMP Cc1cc(-c2noc([C@@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2)ccc1F ZINC000871785954 891011137 /nfs/dbraw/zinc/01/11/37/891011137.db2.gz PCWRSKBQFNVSIO-OHRKKDJYSA-N 2 1 387.459 3.616 20 0 GHADMP Cc1cc(-c2noc([C@@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2)ccc1F ZINC000871785954 891011150 /nfs/dbraw/zinc/01/11/50/891011150.db2.gz PCWRSKBQFNVSIO-OHRKKDJYSA-N 2 1 387.459 3.616 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000074299705 891271544 /nfs/dbraw/zinc/27/15/44/891271544.db2.gz XHLQLVMFQLSAKB-VQTJNVASSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000246486399 891274768 /nfs/dbraw/zinc/27/47/68/891274768.db2.gz RGWJYGFINVBPET-JPLJXNOCSA-N 2 1 392.613 3.503 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000246486399 891274778 /nfs/dbraw/zinc/27/47/78/891274778.db2.gz RGWJYGFINVBPET-JPLJXNOCSA-N 2 1 392.613 3.503 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000246486399 891274792 /nfs/dbraw/zinc/27/47/92/891274792.db2.gz RGWJYGFINVBPET-JPLJXNOCSA-N 2 1 392.613 3.503 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)CC2)[nH+]c1 ZINC000247069646 891341710 /nfs/dbraw/zinc/34/17/10/891341710.db2.gz UUAXUYYMNYNYBS-NHCUHLMSSA-N 2 1 398.595 3.719 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)CC2)[nH+]c1 ZINC000247069646 891341724 /nfs/dbraw/zinc/34/17/24/891341724.db2.gz UUAXUYYMNYNYBS-NHCUHLMSSA-N 2 1 398.595 3.719 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000873327945 891586139 /nfs/dbraw/zinc/58/61/39/891586139.db2.gz NFWJJEFUWIJSBU-XUZZJYLKSA-N 2 1 392.547 3.782 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000813871953 892055086 /nfs/dbraw/zinc/05/50/86/892055086.db2.gz WRXZFCBDNHMQLT-DVECYGJZSA-N 2 1 379.548 3.951 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000124992867 892116168 /nfs/dbraw/zinc/11/61/68/892116168.db2.gz GZWIEHMZVCUARD-YCRPNKLZSA-N 2 1 381.476 3.582 20 0 GHADMP c1cc([C@@H]2CCC[NH2+]C2)ccc1N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001170718423 892133694 /nfs/dbraw/zinc/13/36/94/892133694.db2.gz GNMMYXXQTHIHRC-QLBJFCOMSA-N 2 1 396.623 3.904 20 0 GHADMP C[NH2+]CCC1CC[NH+](Cc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000261975452 892184424 /nfs/dbraw/zinc/18/44/24/892184424.db2.gz FUTFKRWEECLNPM-UHFFFAOYSA-N 2 1 375.538 3.552 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)C1 ZINC000262312759 892260246 /nfs/dbraw/zinc/26/02/46/892260246.db2.gz PGPNFVCSONZTBV-NVWZTNFUSA-N 2 1 383.580 3.688 20 0 GHADMP O=C1C[C@@H](c2ccccc2)N1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223782 892416142 /nfs/dbraw/zinc/41/61/42/892416142.db2.gz PNFXUGRUSFUIKE-QHCPKHFHSA-N 2 1 389.543 3.906 20 0 GHADMP O=C1C[C@@H](c2ccccc2)N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223782 892416150 /nfs/dbraw/zinc/41/61/50/892416150.db2.gz PNFXUGRUSFUIKE-QHCPKHFHSA-N 2 1 389.543 3.906 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875056478 892432529 /nfs/dbraw/zinc/43/25/29/892432529.db2.gz FJPDCAPKHBOQBE-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000645127878 913695665 /nfs/dbraw/zinc/69/56/65/913695665.db2.gz CHKRVQKODROZSQ-DENIHFKCSA-N 2 1 399.579 3.544 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162627994 892894658 /nfs/dbraw/zinc/89/46/58/892894658.db2.gz RPVYMTBYHWVQHP-NQIIRXRSSA-N 2 1 375.557 3.630 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162627994 892894670 /nfs/dbraw/zinc/89/46/70/892894670.db2.gz RPVYMTBYHWVQHP-NQIIRXRSSA-N 2 1 375.557 3.630 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508721170 892971496 /nfs/dbraw/zinc/97/14/96/892971496.db2.gz UCDMQYUWGZVXFQ-HUVFLSCGSA-N 2 1 387.612 3.624 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000562980101 893241670 /nfs/dbraw/zinc/24/16/70/893241670.db2.gz NFYNZHOANDWNKX-HXUWFJFHSA-N 2 1 389.421 3.683 20 0 GHADMP CCOC(=O)c1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[nH]1 ZINC000876866478 893366597 /nfs/dbraw/zinc/36/65/97/893366597.db2.gz GXRCSVVDYKUWCD-UHFFFAOYSA-N 2 1 384.524 3.582 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000533892470 893382180 /nfs/dbraw/zinc/38/21/80/893382180.db2.gz PFTGKIZCKNNCAL-PKTZIBPZSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000533892470 893382193 /nfs/dbraw/zinc/38/21/93/893382193.db2.gz PFTGKIZCKNNCAL-PKTZIBPZSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533892470 893382208 /nfs/dbraw/zinc/38/22/08/893382208.db2.gz PFTGKIZCKNNCAL-PKTZIBPZSA-N 2 1 394.563 3.771 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000876970431 893415380 /nfs/dbraw/zinc/41/53/80/893415380.db2.gz RHCOBXDJTJFYLZ-KABRZNFWSA-N 2 1 382.485 3.720 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000876970431 893415388 /nfs/dbraw/zinc/41/53/88/893415388.db2.gz RHCOBXDJTJFYLZ-KABRZNFWSA-N 2 1 382.485 3.720 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCc3cccc(Br)c3C2)cn1 ZINC000815116511 893448436 /nfs/dbraw/zinc/44/84/36/893448436.db2.gz QODCRNATHZZVGI-KRWDZBQOSA-N 2 1 397.320 3.985 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536666361 893481850 /nfs/dbraw/zinc/48/18/50/893481850.db2.gz IVMFMVTWJNZZAP-JXFKEZNVSA-N 2 1 389.490 3.683 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536666361 893481859 /nfs/dbraw/zinc/48/18/59/893481859.db2.gz IVMFMVTWJNZZAP-JXFKEZNVSA-N 2 1 389.490 3.683 20 0 GHADMP O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459494312 893667674 /nfs/dbraw/zinc/66/76/74/893667674.db2.gz AKRZRVPZFDBJGS-UHFFFAOYSA-N 2 1 395.469 3.526 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459530370 893741184 /nfs/dbraw/zinc/74/11/84/893741184.db2.gz PKYLIHUZHPXTHL-UNMCSNQZSA-N 2 1 379.548 3.523 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856483 893746327 /nfs/dbraw/zinc/74/63/27/893746327.db2.gz LFKMFEBZMLZLML-KRWDZBQOSA-N 2 1 391.357 3.990 20 0 GHADMP COCc1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459562256 893803483 /nfs/dbraw/zinc/80/34/83/893803483.db2.gz FRPLFQOHRDPQTA-JOCHJYFZSA-N 2 1 383.536 3.944 20 0 GHADMP COCc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459562256 893803503 /nfs/dbraw/zinc/80/35/03/893803503.db2.gz FRPLFQOHRDPQTA-JOCHJYFZSA-N 2 1 383.536 3.944 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000536828162 893858423 /nfs/dbraw/zinc/85/84/23/893858423.db2.gz QCOJQTRQDQNOMU-ZJOUEHCJSA-N 2 1 390.535 3.614 20 0 GHADMP Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000537035866 894243823 /nfs/dbraw/zinc/24/38/23/894243823.db2.gz ANBJXLWSKFHMRM-UHFFFAOYSA-N 2 1 392.609 3.747 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000564060226 894534854 /nfs/dbraw/zinc/53/48/54/894534854.db2.gz KPMWCTNLPBXZQG-ZLNRFVROSA-N 2 1 386.580 3.708 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)ccc21 ZINC000455850938 894679289 /nfs/dbraw/zinc/67/92/89/894679289.db2.gz KWKJWYMPILQSSG-VSKRKVRLSA-N 2 1 378.520 3.802 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293174 894716253 /nfs/dbraw/zinc/71/62/53/894716253.db2.gz XPRMVPSKVKLOPI-AEFFLSMTSA-N 2 1 379.504 3.824 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293174 894716259 /nfs/dbraw/zinc/71/62/59/894716259.db2.gz XPRMVPSKVKLOPI-AEFFLSMTSA-N 2 1 379.504 3.824 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293175 894716536 /nfs/dbraw/zinc/71/65/36/894716536.db2.gz XPRMVPSKVKLOPI-FUHWJXTLSA-N 2 1 379.504 3.824 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293175 894716547 /nfs/dbraw/zinc/71/65/47/894716547.db2.gz XPRMVPSKVKLOPI-FUHWJXTLSA-N 2 1 379.504 3.824 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000645454298 913907832 /nfs/dbraw/zinc/90/78/32/913907832.db2.gz YUJHNLPTCSFCML-ISJGIBHGSA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000645454298 913907840 /nfs/dbraw/zinc/90/78/40/913907840.db2.gz YUJHNLPTCSFCML-ISJGIBHGSA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000645454298 913907852 /nfs/dbraw/zinc/90/78/52/913907852.db2.gz YUJHNLPTCSFCML-ISJGIBHGSA-N 2 1 393.575 3.703 20 0 GHADMP COCC[N@@H+](Cc1csc(-c2ccccc2OC)n1)CC1CC[NH+](C)CC1 ZINC000879123473 894850021 /nfs/dbraw/zinc/85/00/21/894850021.db2.gz VYTDJYGBILAGGQ-UHFFFAOYSA-N 2 1 389.565 3.609 20 0 GHADMP COCC[N@H+](Cc1csc(-c2ccccc2OC)n1)CC1CC[NH+](C)CC1 ZINC000879123473 894850035 /nfs/dbraw/zinc/85/00/35/894850035.db2.gz VYTDJYGBILAGGQ-UHFFFAOYSA-N 2 1 389.565 3.609 20 0 GHADMP O=c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000564454453 895002143 /nfs/dbraw/zinc/00/21/43/895002143.db2.gz SNURNOYOBFTPBO-IAGOWNOFSA-N 2 1 394.544 3.885 20 0 GHADMP O=c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000564454453 895002158 /nfs/dbraw/zinc/00/21/58/895002158.db2.gz SNURNOYOBFTPBO-IAGOWNOFSA-N 2 1 394.544 3.885 20 0 GHADMP CC(C)C[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000879702940 895242333 /nfs/dbraw/zinc/24/23/33/895242333.db2.gz AGMQTZCLXJMFQJ-UHFFFAOYSA-N 2 1 376.932 3.789 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000564847883 895281404 /nfs/dbraw/zinc/28/14/04/895281404.db2.gz INLZQYPKOSHCBC-WOJBJXKFSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000564847883 895281417 /nfs/dbraw/zinc/28/14/17/895281417.db2.gz INLZQYPKOSHCBC-WOJBJXKFSA-N 2 1 388.577 3.606 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000565193259 895451975 /nfs/dbraw/zinc/45/19/75/895451975.db2.gz XLCRKGHHEVHECJ-GGAORHGYSA-N 2 1 397.607 3.710 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000565198500 895456357 /nfs/dbraw/zinc/45/63/57/895456357.db2.gz GVNWPFRODJYYJT-QFIPXVFZSA-N 2 1 387.543 3.516 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000565491692 895672820 /nfs/dbraw/zinc/67/28/20/895672820.db2.gz MRUUFRZHUTVWNU-LEWJYISDSA-N 2 1 377.617 3.856 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](c4ccc(C)cc4)C[C@H]3C)CC2)CC1 ZINC000565548548 895715395 /nfs/dbraw/zinc/71/53/95/895715395.db2.gz JBDXIUHWNUMGIR-OFNKIYASSA-N 2 1 397.607 3.896 20 0 GHADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1Cl ZINC000818945649 896287237 /nfs/dbraw/zinc/28/72/37/896287237.db2.gz NEACTYLAUPCQAU-QGZVFWFLSA-N 2 1 387.749 3.526 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000818959480 896297593 /nfs/dbraw/zinc/29/75/93/896297593.db2.gz LKHFXRWKGCLNIN-MBSDFSHPSA-N 2 1 398.547 3.759 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccc(Cl)nc1)C2 ZINC001137165575 896314325 /nfs/dbraw/zinc/31/43/25/896314325.db2.gz PIQNJVZKHVVTQS-UHFFFAOYSA-N 2 1 382.895 3.913 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000289183177 914074760 /nfs/dbraw/zinc/07/47/60/914074760.db2.gz ILLABJZGJUDBKG-WZONZLPQSA-N 2 1 393.531 3.686 20 0 GHADMP c1[nH+]c2c(n1Cc1nc(-c3cccc(C[NH+]4CCCCC4)c3)no1)CCCC2 ZINC000566772636 896560618 /nfs/dbraw/zinc/56/06/18/896560618.db2.gz CVMTZLJBVOPEFN-UHFFFAOYSA-N 2 1 377.492 3.846 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274874 896561278 /nfs/dbraw/zinc/56/12/78/896561278.db2.gz NHKVMTRYLVEHQT-XLIONFOSSA-N 2 1 389.337 3.594 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931147 896844503 /nfs/dbraw/zinc/84/45/03/896844503.db2.gz MVCKCWJFSPKATL-MIZPHKNDSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931147 896844512 /nfs/dbraw/zinc/84/45/12/896844512.db2.gz MVCKCWJFSPKATL-MIZPHKNDSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931147 896844523 /nfs/dbraw/zinc/84/45/23/896844523.db2.gz MVCKCWJFSPKATL-MIZPHKNDSA-N 2 1 388.983 3.878 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263054 896987133 /nfs/dbraw/zinc/98/71/33/896987133.db2.gz BXUCHBWRLWFPQH-GMAHTHKFSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263054 896987152 /nfs/dbraw/zinc/98/71/52/896987152.db2.gz BXUCHBWRLWFPQH-GMAHTHKFSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263054 896987172 /nfs/dbraw/zinc/98/71/72/896987172.db2.gz BXUCHBWRLWFPQH-GMAHTHKFSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(C4OCCO4)s3)cc2)C1 ZINC000289344630 914150601 /nfs/dbraw/zinc/15/06/01/914150601.db2.gz WQIGRRSUKJWCRW-INIZCTEOSA-N 2 1 387.549 3.710 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CCOCC3)cc2)C1 ZINC000883234948 897393517 /nfs/dbraw/zinc/39/35/17/897393517.db2.gz PTAGFVNHVBRXPA-ZEQRLZLVSA-N 2 1 398.522 3.650 20 0 GHADMP CSCC[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1nnc2ccccn21 ZINC000820805877 897535266 /nfs/dbraw/zinc/53/52/66/897535266.db2.gz TVJNMPQNWINFMB-APWZRJJASA-N 2 1 383.565 3.936 20 0 GHADMP C[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000568200833 897669623 /nfs/dbraw/zinc/66/96/23/897669623.db2.gz ARTKOTIWFVGOKU-HXUWFJFHSA-N 2 1 379.548 3.527 20 0 GHADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)OCCc2sccc21 ZINC000568687865 898035876 /nfs/dbraw/zinc/03/58/76/898035876.db2.gz SSZCERDQWLMYAP-JOCHJYFZSA-N 2 1 388.552 3.972 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774960646 914241265 /nfs/dbraw/zinc/24/12/65/914241265.db2.gz DWKPVCDERZGATN-LLVKDONJSA-N 2 1 379.327 3.990 20 0 GHADMP CC(C)[C@@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)[C@H](C)[NH3+] ZINC000822977132 898770113 /nfs/dbraw/zinc/77/01/13/898770113.db2.gz PGVMUXNBQWASGN-KBXCAEBGSA-N 2 1 391.947 3.619 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476912 899049711 /nfs/dbraw/zinc/04/97/11/899049711.db2.gz CZDSRPRZOHAFMF-HOJAQTOUSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476912 899049732 /nfs/dbraw/zinc/04/97/32/899049732.db2.gz CZDSRPRZOHAFMF-HOJAQTOUSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476912 899049748 /nfs/dbraw/zinc/04/97/48/899049748.db2.gz CZDSRPRZOHAFMF-HOJAQTOUSA-N 2 1 379.589 3.686 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)CC1 ZINC000824058426 899364364 /nfs/dbraw/zinc/36/43/64/899364364.db2.gz MSSFDOVHYZFZFU-RTWAWAEBSA-N 2 1 376.585 3.740 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000570633019 899456590 /nfs/dbraw/zinc/45/65/90/899456590.db2.gz UJZZHFZAOISROW-VXGBXAGGSA-N 2 1 390.742 3.907 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000570633019 899456594 /nfs/dbraw/zinc/45/65/94/899456594.db2.gz UJZZHFZAOISROW-VXGBXAGGSA-N 2 1 390.742 3.907 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000646249234 914353573 /nfs/dbraw/zinc/35/35/73/914353573.db2.gz VLMYZRPIZGZOHY-GDKQOWJMSA-N 2 1 391.559 3.836 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000570857907 899644334 /nfs/dbraw/zinc/64/43/34/899644334.db2.gz IXXLGMKVTAYVIW-VKAVYKQESA-N 2 1 380.479 3.926 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584960 899726191 /nfs/dbraw/zinc/72/61/91/899726191.db2.gz KLBRGOBITCQEBJ-HBFSDRIKSA-N 2 1 390.535 3.818 20 0 GHADMP Fc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000571091527 899737815 /nfs/dbraw/zinc/73/78/15/899737815.db2.gz AHDKBFLHQIJXGK-OAQYLSRUSA-N 2 1 393.510 3.798 20 0 GHADMP C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824936684 899896946 /nfs/dbraw/zinc/89/69/46/899896946.db2.gz LFWHDEGWLVOAHC-IEBWSBKVSA-N 2 1 382.556 3.637 20 0 GHADMP Clc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001136991428 899988933 /nfs/dbraw/zinc/98/89/33/899988933.db2.gz SACLXZCDWCOFFA-UHFFFAOYSA-N 2 1 377.941 3.664 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171082515 900112270 /nfs/dbraw/zinc/11/22/70/900112270.db2.gz KMOZSIFSYGDBND-LSTHTHJFSA-N 2 1 382.379 3.561 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000572839382 900288918 /nfs/dbraw/zinc/28/89/18/900288918.db2.gz KLHAZEZMXIQDJR-OYSPMZIOSA-N 2 1 399.501 3.824 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000289925171 914428981 /nfs/dbraw/zinc/42/89/81/914428981.db2.gz VJFQJMDXTCXHNC-MRXNPFEDSA-N 2 1 387.528 3.749 20 0 GHADMP Cc1cnc([C@H](C)[NH+](C)[C@H]2CC[C@H]([N@H+](C)[C@@H](C)c3cnc(C)cn3)CC2)cn1 ZINC000886389396 900975698 /nfs/dbraw/zinc/97/56/98/900975698.db2.gz IBXGGGUKQUAIMF-MUGJNUQGSA-N 2 1 382.556 3.880 20 0 GHADMP CCC1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000574729219 900986144 /nfs/dbraw/zinc/98/61/44/900986144.db2.gz DBRNQZICWOKXHR-OAQYLSRUSA-N 2 1 394.563 3.563 20 0 GHADMP COc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC000886493424 901073488 /nfs/dbraw/zinc/07/34/88/901073488.db2.gz KNPHOCKUYYLDCP-HBMCJLEFSA-N 2 1 396.531 3.855 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886500534 901084456 /nfs/dbraw/zinc/08/44/56/901084456.db2.gz ZSDQPRQTGUNYTO-BVSLBCMMSA-N 2 1 393.531 3.527 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(NC(N)=O)cc1 ZINC000886526828 901124898 /nfs/dbraw/zinc/12/48/98/901124898.db2.gz SXKZGKPRLATFBQ-JSOTWZDUSA-N 2 1 378.520 3.881 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529012 901128052 /nfs/dbraw/zinc/12/80/52/901128052.db2.gz VMDHVSZVZICAFJ-DLCDSXJVSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529012 901128060 /nfs/dbraw/zinc/12/80/60/901128060.db2.gz VMDHVSZVZICAFJ-DLCDSXJVSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529012 901128066 /nfs/dbraw/zinc/12/80/66/901128066.db2.gz VMDHVSZVZICAFJ-DLCDSXJVSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529012 901128072 /nfs/dbraw/zinc/12/80/72/901128072.db2.gz VMDHVSZVZICAFJ-DLCDSXJVSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529012 901128078 /nfs/dbraw/zinc/12/80/78/901128078.db2.gz VMDHVSZVZICAFJ-DLCDSXJVSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529012 901128083 /nfs/dbraw/zinc/12/80/83/901128083.db2.gz VMDHVSZVZICAFJ-DLCDSXJVSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529012 901128089 /nfs/dbraw/zinc/12/80/89/901128089.db2.gz VMDHVSZVZICAFJ-DLCDSXJVSA-N 3 1 399.623 3.766 20 0 GHADMP CCC[NH2+][C@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000646427695 914510166 /nfs/dbraw/zinc/51/01/66/914510166.db2.gz IVSCHEUQGKQKMK-OAHLLOKOSA-N 2 1 385.474 3.516 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000575248962 901181251 /nfs/dbraw/zinc/18/12/51/901181251.db2.gz ZDAMOQNZZLZYNK-LAUBAEHRSA-N 2 1 388.939 3.895 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886711491 901242508 /nfs/dbraw/zinc/24/25/08/901242508.db2.gz XADOXOAYCAMOPW-ACIOBRDBSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000575866947 901406688 /nfs/dbraw/zinc/40/66/88/901406688.db2.gz UHLLJZRLBVRFPY-UZLBHIALSA-N 2 1 380.536 3.829 20 0 GHADMP CCC[C@@H]1CCCC[C@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000576001913 901576695 /nfs/dbraw/zinc/57/66/95/901576695.db2.gz MGLMSHOUHCAWQW-CTNGQTDRSA-N 2 1 377.617 3.905 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC000576714419 902212776 /nfs/dbraw/zinc/21/27/76/902212776.db2.gz CLLOJXGFBJMVJQ-UHFFFAOYSA-N 2 1 377.617 3.904 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126161731 902293298 /nfs/dbraw/zinc/29/32/98/902293298.db2.gz VFRKRYLJVBXXRF-HMFYCAOWSA-N 2 1 375.520 3.753 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000779021888 903035713 /nfs/dbraw/zinc/03/57/13/903035713.db2.gz ZTGYNYXTUWVQOO-SFTDATJTSA-N 2 1 398.551 3.964 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000779031789 903220515 /nfs/dbraw/zinc/22/05/15/903220515.db2.gz WUAWNKXZMZWUTO-QGZVFWFLSA-N 2 1 388.487 3.809 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000577850136 903266969 /nfs/dbraw/zinc/26/69/69/903266969.db2.gz XNHMHWRLEFUSOE-FDDCHVKYSA-N 2 1 390.531 3.776 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000577850136 903266987 /nfs/dbraw/zinc/26/69/87/903266987.db2.gz XNHMHWRLEFUSOE-FDDCHVKYSA-N 2 1 390.531 3.776 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000134906853 903589870 /nfs/dbraw/zinc/58/98/70/903589870.db2.gz PHKFYVOEICEHQV-DNVCBOLYSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000134906853 903589876 /nfs/dbraw/zinc/58/98/76/903589876.db2.gz PHKFYVOEICEHQV-DNVCBOLYSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000134906853 903589881 /nfs/dbraw/zinc/58/98/81/903589881.db2.gz PHKFYVOEICEHQV-DNVCBOLYSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000134906853 903589889 /nfs/dbraw/zinc/58/98/89/903589889.db2.gz PHKFYVOEICEHQV-DNVCBOLYSA-N 2 1 395.469 3.983 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000779064787 903725978 /nfs/dbraw/zinc/72/59/78/903725978.db2.gz NIVQGKYOMFTSOM-IPJJNNNSSA-N 2 1 387.568 3.744 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC2 ZINC001171300885 903738265 /nfs/dbraw/zinc/73/82/65/903738265.db2.gz MXONMRVWQNNAFQ-OAHLLOKOSA-N 3 1 381.992 3.681 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2)C1CC[NH+](C)CC1 ZINC000578401966 903806060 /nfs/dbraw/zinc/80/60/60/903806060.db2.gz HVZLMTOTWZAADZ-UHFFFAOYSA-N 2 1 393.531 3.590 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171370409 904371825 /nfs/dbraw/zinc/37/18/25/904371825.db2.gz JXWQCUCKZQDMMB-ZWKOTPCHSA-N 2 1 378.507 3.834 20 0 GHADMP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171543080 904770157 /nfs/dbraw/zinc/77/01/57/904770157.db2.gz FASGGYNZVIISGI-GOSISDBHSA-N 2 1 397.529 3.701 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)CC1 ZINC001171592997 904820167 /nfs/dbraw/zinc/82/01/67/904820167.db2.gz HUQQLZVWKMEQOT-RBUKOAKNSA-N 2 1 397.604 3.501 20 0 GHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ccc(Br)cn3)CC2)CC1(C)C ZINC001171629909 904851044 /nfs/dbraw/zinc/85/10/44/904851044.db2.gz ZKZMLOAKNXTGPG-UHFFFAOYSA-N 2 1 395.389 3.618 20 0 GHADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001171676122 904918192 /nfs/dbraw/zinc/91/81/92/904918192.db2.gz WSBLGMSJVZMLFD-QLBJFCOMSA-N 2 1 399.623 3.577 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CC1(C)C ZINC001171640623 904929678 /nfs/dbraw/zinc/92/96/78/904929678.db2.gz HPSOELSWWPCXAC-CGTJXYLNSA-N 2 1 379.589 3.873 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825025 905040270 /nfs/dbraw/zinc/04/02/70/905040270.db2.gz LCHCAVMDUFBETH-OUUBHVDSSA-N 2 1 379.589 3.969 20 0 GHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000626580055 905154429 /nfs/dbraw/zinc/15/44/29/905154429.db2.gz ULGUXSGUFJJWQD-UYAOXDASSA-N 2 1 381.524 3.691 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC1 ZINC001171952975 905158472 /nfs/dbraw/zinc/15/84/72/905158472.db2.gz DEWLHCXQSZAULP-UHFFFAOYSA-N 2 1 399.579 3.882 20 0 GHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948101 905169229 /nfs/dbraw/zinc/16/92/29/905169229.db2.gz BXDKRPMWMBBJMM-LJQANCHMSA-N 2 1 387.568 3.714 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171965924 905174013 /nfs/dbraw/zinc/17/40/13/905174013.db2.gz KCPLSWOJXPSXRM-FQEVSTJZSA-N 2 1 386.561 3.623 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171965924 905174018 /nfs/dbraw/zinc/17/40/18/905174018.db2.gz KCPLSWOJXPSXRM-FQEVSTJZSA-N 2 1 386.561 3.623 20 0 GHADMP CC1(C)C[C@H](N2CC[NH+](Cc3cccc(N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171989825 905200930 /nfs/dbraw/zinc/20/09/30/905200930.db2.gz HBFKKLFYCKYYPT-XMMPIXPASA-N 2 1 392.591 3.830 20 0 GHADMP COc1ccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977375 905222440 /nfs/dbraw/zinc/22/24/40/905222440.db2.gz AYGQCCMKZZMFMS-YADHBBJMSA-N 2 1 382.548 3.631 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979064 905227843 /nfs/dbraw/zinc/22/78/43/905227843.db2.gz KZBUMVVGUNAJDM-DHIUTWEWSA-N 2 1 391.559 3.934 20 0 GHADMP COC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001171979695 905228056 /nfs/dbraw/zinc/22/80/56/905228056.db2.gz QDZFHIPHCHFPPV-FGZHOGPDSA-N 2 1 380.532 3.976 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979091 905229638 /nfs/dbraw/zinc/22/96/38/905229638.db2.gz LFVZSQGHDGDKNY-YPAWHYETSA-N 2 1 383.580 3.857 20 0 GHADMP CC1(C)C[C@@H](N2CCC([NH3+])(Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980941 905231642 /nfs/dbraw/zinc/23/16/42/905231642.db2.gz UWUKQETYRQGZSA-QHCPKHFHSA-N 2 1 392.591 3.861 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](Oc3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171983952 905237285 /nfs/dbraw/zinc/23/72/85/905237285.db2.gz BGMYPQNZQFFWHG-LEWJYISDSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](Oc3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983952 905237307 /nfs/dbraw/zinc/23/73/07/905237307.db2.gz BGMYPQNZQFFWHG-LEWJYISDSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](Oc3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983952 905237329 /nfs/dbraw/zinc/23/73/29/905237329.db2.gz BGMYPQNZQFFWHG-LEWJYISDSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](Oc3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983952 905237349 /nfs/dbraw/zinc/23/73/49/905237349.db2.gz BGMYPQNZQFFWHG-LEWJYISDSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCCC[C@H]2C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984813 905242510 /nfs/dbraw/zinc/24/25/10/905242510.db2.gz PEQCGCCCNNAVGT-VXKWHMMOSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCCC[C@H]2C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171984813 905242523 /nfs/dbraw/zinc/24/25/23/905242523.db2.gz PEQCGCCCNNAVGT-VXKWHMMOSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001171984813 905242536 /nfs/dbraw/zinc/24/25/36/905242536.db2.gz PEQCGCCCNNAVGT-VXKWHMMOSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001171984813 905242550 /nfs/dbraw/zinc/24/25/50/905242550.db2.gz PEQCGCCCNNAVGT-VXKWHMMOSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](Oc3cnccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985882 905243619 /nfs/dbraw/zinc/24/36/19/905243619.db2.gz CRJYCNZEDWCPLI-NHCUHLMSSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](Oc3cnccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985882 905243632 /nfs/dbraw/zinc/24/36/32/905243632.db2.gz CRJYCNZEDWCPLI-NHCUHLMSSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](Oc3cnccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985882 905243646 /nfs/dbraw/zinc/24/36/46/905243646.db2.gz CRJYCNZEDWCPLI-NHCUHLMSSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](Oc3cnccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985882 905243660 /nfs/dbraw/zinc/24/36/60/905243660.db2.gz CRJYCNZEDWCPLI-NHCUHLMSSA-N 2 1 380.536 3.763 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987197 905246803 /nfs/dbraw/zinc/24/68/03/905246803.db2.gz QYEOXUMRPCUFOV-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987197 905246820 /nfs/dbraw/zinc/24/68/20/905246820.db2.gz QYEOXUMRPCUFOV-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987197 905246837 /nfs/dbraw/zinc/24/68/37/905246837.db2.gz QYEOXUMRPCUFOV-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1=O ZINC001172029457 905264700 /nfs/dbraw/zinc/26/47/00/905264700.db2.gz BKSLMRDZWQADAC-HJOGWXRNSA-N 2 1 391.559 3.645 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CCN(c4ccncn4)CC2)C3)cc1 ZINC001172071559 905274421 /nfs/dbraw/zinc/27/44/21/905274421.db2.gz XPSLCGSOFSGSCX-WBDAEOGXSA-N 2 1 391.563 3.621 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N(c2ncccn2)[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001172075750 905284598 /nfs/dbraw/zinc/28/45/98/905284598.db2.gz SPCAPWBVGBWSGE-KAOXLYBCSA-N 2 1 391.563 3.621 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001172079059 905290382 /nfs/dbraw/zinc/29/03/82/905290382.db2.gz KYVIWANBOJENHX-UBRQYEGLSA-N 2 1 376.548 3.789 20 0 GHADMP CC1(N2CCOCC2)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172083337 905296160 /nfs/dbraw/zinc/29/61/60/905296160.db2.gz PHPUDUOAVCXVMU-BKFWDETESA-N 2 1 397.607 3.759 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CCC1 ZINC001172089026 905304645 /nfs/dbraw/zinc/30/46/45/905304645.db2.gz PHMBQUNNKSQBTP-JLLPCOHGSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CCC1 ZINC001172089026 905304661 /nfs/dbraw/zinc/30/46/61/905304661.db2.gz PHMBQUNNKSQBTP-JLLPCOHGSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C1CCC1 ZINC001172089026 905304679 /nfs/dbraw/zinc/30/46/79/905304679.db2.gz PHMBQUNNKSQBTP-JLLPCOHGSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C1CCC1 ZINC001172089026 905304690 /nfs/dbraw/zinc/30/46/90/905304690.db2.gz PHMBQUNNKSQBTP-JLLPCOHGSA-N 2 1 395.591 3.953 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172088830 905305953 /nfs/dbraw/zinc/30/59/53/905305953.db2.gz OPVUWGFSERFZJG-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172088830 905305971 /nfs/dbraw/zinc/30/59/71/905305971.db2.gz OPVUWGFSERFZJG-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172088830 905305989 /nfs/dbraw/zinc/30/59/89/905305989.db2.gz OPVUWGFSERFZJG-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP CCN1CC2(CC1=O)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172089684 905307705 /nfs/dbraw/zinc/30/77/05/905307705.db2.gz RNHMRYYHWDKKRW-NUNAXRQHSA-N 2 1 395.591 3.907 20 0 GHADMP COc1cccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172063281 905326064 /nfs/dbraw/zinc/32/60/64/905326064.db2.gz BPLIBSXPBYNSPH-JTOYRKQZSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172063281 905326082 /nfs/dbraw/zinc/32/60/82/905326082.db2.gz BPLIBSXPBYNSPH-JTOYRKQZSA-N 2 1 380.532 3.904 20 0 GHADMP CC(C)C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001172125891 905340248 /nfs/dbraw/zinc/34/02/48/905340248.db2.gz RIDUNYYEIUXMBH-YRPNKDGESA-N 2 1 379.589 3.969 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110467 905356533 /nfs/dbraw/zinc/35/65/33/905356533.db2.gz NJVRAMSHCCUCRT-YUMYIRISSA-N 2 1 399.579 3.953 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3nnc(-c4ccc(F)cc4)n3c1)C2 ZINC001172111021 905358443 /nfs/dbraw/zinc/35/84/43/905358443.db2.gz OHXRTHXXCDJNLW-OWZKRDHZSA-N 2 1 379.483 3.640 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3Cc4c(cccc4F)C3=O)CC1)C2 ZINC001172114051 905362070 /nfs/dbraw/zinc/36/20/70/905362070.db2.gz LRFQJWIJUTZGGA-LMZXCBKASA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3Cc4c(cccc4F)C3=O)CC1)C2 ZINC001172114051 905362087 /nfs/dbraw/zinc/36/20/87/905362087.db2.gz LRFQJWIJUTZGGA-LMZXCBKASA-N 2 1 385.527 3.698 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3c(F)cc(F)cc3F)CC1)C2 ZINC001172113881 905363963 /nfs/dbraw/zinc/36/39/63/905363963.db2.gz KBDPCVLSGZEZBK-NNZMDNLPSA-N 2 1 381.486 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3c(F)cc(F)cc3F)CC1)C2 ZINC001172113881 905363980 /nfs/dbraw/zinc/36/39/80/905363980.db2.gz KBDPCVLSGZEZBK-NNZMDNLPSA-N 2 1 381.486 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1COc3ccc(Br)cc3C1)C2 ZINC001172115016 905364220 /nfs/dbraw/zinc/36/42/20/905364220.db2.gz TXGWEUXWMFKPSK-PILAGYSTSA-N 2 1 379.342 3.605 20 0 GHADMP Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172120293 905380974 /nfs/dbraw/zinc/38/09/74/905380974.db2.gz DPMQHRJFMWHHIP-WKCHPHFGSA-N 2 1 391.563 3.627 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172192375 905388171 /nfs/dbraw/zinc/38/81/71/905388171.db2.gz BQIUBTWKOMXXJM-GOSISDBHSA-N 2 1 393.597 3.530 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172329898 905495486 /nfs/dbraw/zinc/49/54/86/905495486.db2.gz LJOQMRRHASDITC-MNVIUDHYSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172329898 905495489 /nfs/dbraw/zinc/49/54/89/905495489.db2.gz LJOQMRRHASDITC-MNVIUDHYSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001172329898 905495500 /nfs/dbraw/zinc/49/55/00/905495500.db2.gz LJOQMRRHASDITC-MNVIUDHYSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001172329898 905495505 /nfs/dbraw/zinc/49/55/05/905495505.db2.gz LJOQMRRHASDITC-MNVIUDHYSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001172342425 905505441 /nfs/dbraw/zinc/50/54/41/905505441.db2.gz YXBLLHTXJSWKEQ-NHCUHLMSSA-N 2 1 389.584 3.590 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172535476 905639693 /nfs/dbraw/zinc/63/96/93/905639693.db2.gz KATPWIUEFAZOQD-HFMPRLQTSA-N 2 1 395.591 3.876 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172597062 905658726 /nfs/dbraw/zinc/65/87/26/905658726.db2.gz OMUYHQBCJJWAFB-SJLPKXTDSA-N 2 1 377.504 3.656 20 0 GHADMP CC1(C)CC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC(C)(C)O1 ZINC001172650983 905713820 /nfs/dbraw/zinc/71/38/20/905713820.db2.gz UTYANOHQPKISHY-XUTJKUGGSA-N 2 1 377.617 3.651 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+]C2CCC(Cc3ccccc3)CC2)C1 ZINC001172821155 905851914 /nfs/dbraw/zinc/85/19/14/905851914.db2.gz IDBFUQIXLIENRV-VFUGHAIPSA-N 2 1 387.568 3.714 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1)CC2 ZINC001172844248 905896827 /nfs/dbraw/zinc/89/68/27/905896827.db2.gz WRXDBWQJEIFIBY-PKTZIBPZSA-N 2 1 380.532 3.683 20 0 GHADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172843323 905899246 /nfs/dbraw/zinc/89/92/46/905899246.db2.gz VWDPSIQTXLNYGU-AWEZNQCLSA-N 2 1 399.938 3.728 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628218698 906019546 /nfs/dbraw/zinc/01/95/46/906019546.db2.gz NQTGQXAKKAFULI-CTNGQTDRSA-N 2 1 392.465 3.721 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628218698 906019562 /nfs/dbraw/zinc/01/95/62/906019562.db2.gz NQTGQXAKKAFULI-CTNGQTDRSA-N 2 1 392.465 3.721 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001172992631 906103250 /nfs/dbraw/zinc/10/32/50/906103250.db2.gz CLDWWHJXMMUGIV-FQEVSTJZSA-N 2 1 395.522 3.542 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173060528 906130127 /nfs/dbraw/zinc/13/01/27/906130127.db2.gz ABPFCFQEOYTHGC-IEBWSBKVSA-N 2 1 388.556 3.736 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CCC([NH+](CC)CC)CC2)c2ccccc12 ZINC001173101541 906188269 /nfs/dbraw/zinc/18/82/69/906188269.db2.gz JZUSEPMGAUTNEF-GRERDSQWSA-N 2 1 385.552 3.900 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001173108771 906194324 /nfs/dbraw/zinc/19/43/24/906194324.db2.gz BDTZNLINLROTEQ-IWAAJCSBSA-N 2 1 398.595 3.692 20 0 GHADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3C[C@@H](Oc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001173112203 906200353 /nfs/dbraw/zinc/20/03/53/906200353.db2.gz SRDNXRSPJWREPX-AELPEBTASA-N 2 1 385.596 3.785 20 0 GHADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2COc3cccc(OC)c3C2)c1 ZINC001173159608 906246005 /nfs/dbraw/zinc/24/60/05/906246005.db2.gz KPTYVPLJQRWOSY-UFYCRDLUSA-N 2 1 396.531 3.779 20 0 GHADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1COc2cccc(OC)c2C1 ZINC001173161173 906246068 /nfs/dbraw/zinc/24/60/68/906246068.db2.gz PNALMFAWEDIBGR-UFYCRDLUSA-N 2 1 396.531 3.779 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000177978240 906258256 /nfs/dbraw/zinc/25/82/56/906258256.db2.gz KTRZDDBYCYFTJT-MRXNPFEDSA-N 2 1 392.540 3.920 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCCC[NH+](C)C2)c1 ZINC000628756632 906293875 /nfs/dbraw/zinc/29/38/75/906293875.db2.gz VPZKXFNMHRYQHP-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000628756632 906293888 /nfs/dbraw/zinc/29/38/88/906293888.db2.gz VPZKXFNMHRYQHP-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000628756632 906293903 /nfs/dbraw/zinc/29/39/03/906293903.db2.gz VPZKXFNMHRYQHP-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001173264294 906344604 /nfs/dbraw/zinc/34/46/04/906344604.db2.gz YEQXYFIVYUHDPR-FQEVSTJZSA-N 2 1 376.589 3.894 20 0 GHADMP CCCC[C@@H](CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001173264294 906344610 /nfs/dbraw/zinc/34/46/10/906344610.db2.gz YEQXYFIVYUHDPR-FQEVSTJZSA-N 2 1 376.589 3.894 20 0 GHADMP CCCC[C@@H](CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001173264294 906344618 /nfs/dbraw/zinc/34/46/18/906344618.db2.gz YEQXYFIVYUHDPR-FQEVSTJZSA-N 2 1 376.589 3.894 20 0 GHADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173417006 906445379 /nfs/dbraw/zinc/44/53/79/906445379.db2.gz KZRRFVCSIQDLIS-KRWDZBQOSA-N 2 1 377.960 3.786 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@@H]1F ZINC001206200136 906468704 /nfs/dbraw/zinc/46/87/04/906468704.db2.gz QLWCKVLWPWBQTA-IRXDYDNUSA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@@H]1F ZINC001206200136 906468710 /nfs/dbraw/zinc/46/87/10/906468710.db2.gz QLWCKVLWPWBQTA-IRXDYDNUSA-N 2 1 383.389 3.908 20 0 GHADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391936 906491369 /nfs/dbraw/zinc/49/13/69/906491369.db2.gz PJVATLSWQYSDHR-QGZVFWFLSA-N 2 1 391.519 3.618 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173666619 906603774 /nfs/dbraw/zinc/60/37/74/906603774.db2.gz JZEQUDRENMOVBD-IYARVYRRSA-N 2 1 387.465 3.924 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001173656102 906640907 /nfs/dbraw/zinc/64/09/07/906640907.db2.gz ASJULCVYCGXZLQ-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001173656102 906640916 /nfs/dbraw/zinc/64/09/16/906640916.db2.gz ASJULCVYCGXZLQ-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001173656102 906640924 /nfs/dbraw/zinc/64/09/24/906640924.db2.gz ASJULCVYCGXZLQ-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001173655321 906641175 /nfs/dbraw/zinc/64/11/75/906641175.db2.gz YQURSGKXMUQVAC-OKFMTBTCSA-N 2 1 390.527 3.685 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001173718436 906669011 /nfs/dbraw/zinc/66/90/11/906669011.db2.gz ZUBDGPHOSMJYGY-IBGZPJMESA-N 2 1 380.532 3.701 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001173725703 906689664 /nfs/dbraw/zinc/68/96/64/906689664.db2.gz PRNVGADOOIBAMQ-YDHSSHFGSA-N 2 1 380.532 3.904 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001173725703 906689667 /nfs/dbraw/zinc/68/96/67/906689667.db2.gz PRNVGADOOIBAMQ-YDHSSHFGSA-N 2 1 380.532 3.904 20 0 GHADMP O=C(c1ccc(F)c(Cl)c1)N1CCC([NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC001173778317 906703815 /nfs/dbraw/zinc/70/38/15/906703815.db2.gz WGXWMCHAHQUDHC-UHFFFAOYSA-N 2 1 393.934 3.644 20 0 GHADMP Fc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1C(F)(F)F ZINC000629532944 906858846 /nfs/dbraw/zinc/85/88/46/906858846.db2.gz ZPYHBZZCZNEBJB-OKILXGFUSA-N 2 1 383.389 3.931 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@@H]1C(F)(F)F ZINC000629566006 906871748 /nfs/dbraw/zinc/87/17/48/906871748.db2.gz XMXUBCPPKKVJBH-IRXDYDNUSA-N 2 1 388.437 3.960 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@@H]1C(F)(F)F ZINC000629566006 906871770 /nfs/dbraw/zinc/87/17/70/906871770.db2.gz XMXUBCPPKKVJBH-IRXDYDNUSA-N 2 1 388.437 3.960 20 0 GHADMP Clc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629581301 906877070 /nfs/dbraw/zinc/87/70/70/906877070.db2.gz VCGORBCTVXREDZ-XJKSGUPXSA-N 2 1 385.733 3.760 20 0 GHADMP Clc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629581301 906877085 /nfs/dbraw/zinc/87/70/85/906877085.db2.gz VCGORBCTVXREDZ-XJKSGUPXSA-N 2 1 385.733 3.760 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629653339 906930152 /nfs/dbraw/zinc/93/01/52/906930152.db2.gz FWUGFEQOTCYANH-UHFFFAOYSA-N 2 1 394.494 3.584 20 0 GHADMP CCC[N@@H+]1CCc2c(N)sc(Nc3ccc(C[NH+]4CCOCC4)cc3)c2C1 ZINC001174445447 907040722 /nfs/dbraw/zinc/04/07/22/907040722.db2.gz JIVMHVLYOBIOIK-UHFFFAOYSA-N 2 1 386.565 3.674 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(C[NH+]4CCOCC4)cc3)c2C1 ZINC001174445447 907040737 /nfs/dbraw/zinc/04/07/37/907040737.db2.gz JIVMHVLYOBIOIK-UHFFFAOYSA-N 2 1 386.565 3.674 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000182556614 907229045 /nfs/dbraw/zinc/22/90/45/907229045.db2.gz ITGQQGVZFQVTRV-CALCHBBNSA-N 2 1 396.535 3.995 20 0 GHADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174984767 907335152 /nfs/dbraw/zinc/33/51/52/907335152.db2.gz SGVLXAIZCCPVEK-BHDDXSALSA-N 2 1 384.564 3.808 20 0 GHADMP CC(C)(C)OC(=O)NCCCCCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC001175070784 907365986 /nfs/dbraw/zinc/36/59/86/907365986.db2.gz XYYASTWQIOBNFL-UHFFFAOYSA-N 2 1 397.604 3.648 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001175267168 907478056 /nfs/dbraw/zinc/47/80/56/907478056.db2.gz VZDTUGAIGJAZFK-HSZRJFAPSA-N 2 1 385.596 3.868 20 0 GHADMP CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175368058 907522771 /nfs/dbraw/zinc/52/27/71/907522771.db2.gz XISDUVDZMLISKB-UHFFFAOYSA-N 2 1 391.519 3.902 20 0 GHADMP Cc1cc2oc(=O)cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)c2cc1C(C)C ZINC000779630640 908001173 /nfs/dbraw/zinc/00/11/73/908001173.db2.gz DGVGNTHLHIUKJB-UHFFFAOYSA-N 2 1 377.488 3.942 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@@H]1CCOC12CCOCC2)c1ccccc1 ZINC001176833183 908270917 /nfs/dbraw/zinc/27/09/17/908270917.db2.gz SPPDZMKSGARODH-DNQXCXABSA-N 2 1 394.559 3.830 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002912 908357842 /nfs/dbraw/zinc/35/78/42/908357842.db2.gz PBDDXVGZISVHMQ-UPVQGACJSA-N 2 1 378.516 3.541 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002912 908357856 /nfs/dbraw/zinc/35/78/56/908357856.db2.gz PBDDXVGZISVHMQ-UPVQGACJSA-N 2 1 378.516 3.541 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002912 908357866 /nfs/dbraw/zinc/35/78/66/908357866.db2.gz PBDDXVGZISVHMQ-UPVQGACJSA-N 2 1 378.516 3.541 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002911 908358149 /nfs/dbraw/zinc/35/81/49/908358149.db2.gz PBDDXVGZISVHMQ-LADGPHEKSA-N 2 1 378.516 3.541 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002911 908358156 /nfs/dbraw/zinc/35/81/56/908358156.db2.gz PBDDXVGZISVHMQ-LADGPHEKSA-N 2 1 378.516 3.541 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002911 908358166 /nfs/dbraw/zinc/35/81/66/908358166.db2.gz PBDDXVGZISVHMQ-LADGPHEKSA-N 2 1 378.516 3.541 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC001177283344 908516558 /nfs/dbraw/zinc/51/65/58/908516558.db2.gz XDFLWUIZJVWXDI-ROUUACIJSA-N 2 1 398.620 3.977 20 0 GHADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001177453909 908576325 /nfs/dbraw/zinc/57/63/25/908576325.db2.gz GNRYJRNGWCSLSP-TYBLODHISA-N 2 1 393.575 3.832 20 0 GHADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001177453909 908576329 /nfs/dbraw/zinc/57/63/29/908576329.db2.gz GNRYJRNGWCSLSP-TYBLODHISA-N 2 1 393.575 3.832 20 0 GHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191542441 908640842 /nfs/dbraw/zinc/64/08/42/908640842.db2.gz IDHLDEMHCYKMTQ-QFIPXVFZSA-N 2 1 383.584 3.609 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]CC3(C[NH+](C)C)CCCC3)cnc12 ZINC001178449933 909043918 /nfs/dbraw/zinc/04/39/18/909043918.db2.gz ZQOLVVPQWXEIGH-UHFFFAOYSA-N 2 1 379.346 3.617 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)c1cccc(C(F)(F)F)c1 ZINC001178710194 909201578 /nfs/dbraw/zinc/20/15/78/909201578.db2.gz XCFYYLPKAHTMCX-IAGOWNOFSA-N 2 1 385.474 3.545 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C)c1cccc(C(F)(F)F)c1 ZINC001178710194 909201591 /nfs/dbraw/zinc/20/15/91/909201591.db2.gz XCFYYLPKAHTMCX-IAGOWNOFSA-N 2 1 385.474 3.545 20 0 GHADMP c1c[nH]c([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)C2)n1 ZINC000266909802 909335585 /nfs/dbraw/zinc/33/55/85/909335585.db2.gz IRZHKHNHSCINPD-WOJBJXKFSA-N 2 1 384.572 3.752 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1cccc(Cl)c1 ZINC001179506657 909573697 /nfs/dbraw/zinc/57/36/97/909573697.db2.gz FBXMRCGILOYIKA-JOCHJYFZSA-N 2 1 390.930 3.679 20 0 GHADMP C[NH+]1CCN(c2ccc(NCc3cccc(Cl)c3N)c3c[nH+]ccc32)CC1 ZINC001179805983 909743099 /nfs/dbraw/zinc/74/30/99/909743099.db2.gz XOBQIGUERSQHOR-UHFFFAOYSA-N 2 1 381.911 3.834 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1sccc1C[NH+](C)C ZINC000268043789 909750506 /nfs/dbraw/zinc/75/05/06/909750506.db2.gz RBSLFDPRHXQUEG-UHFFFAOYSA-N 2 1 389.590 3.919 20 0 GHADMP CN(c1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000268148583 909780990 /nfs/dbraw/zinc/78/09/90/909780990.db2.gz RCKSOOPTBKETFC-UHFFFAOYSA-N 2 1 386.565 3.592 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000268770482 910007412 /nfs/dbraw/zinc/00/74/12/910007412.db2.gz PSKYIKSDEYJSTH-RDPSFJRHSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000268770482 910007419 /nfs/dbraw/zinc/00/74/19/910007419.db2.gz PSKYIKSDEYJSTH-RDPSFJRHSA-N 2 1 391.559 3.952 20 0 GHADMP Cc1cc(CN)oc1C(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000638066266 910043630 /nfs/dbraw/zinc/04/36/30/910043630.db2.gz GDSCKTYRQQRGOU-IBGZPJMESA-N 2 1 395.528 3.638 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000268871889 910052902 /nfs/dbraw/zinc/05/29/02/910052902.db2.gz HXFOHEPBEHCSQY-MRXNPFEDSA-N 2 1 376.932 3.652 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(COC)c2)[C@H](C)C1 ZINC000268915580 910068761 /nfs/dbraw/zinc/06/87/61/910068761.db2.gz NZZPUOQGNPOKCY-OPYAIIAOSA-N 2 1 378.557 3.629 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638358280 910131377 /nfs/dbraw/zinc/13/13/77/910131377.db2.gz ARGFJNZKXBICPT-ZAAXVRCTSA-N 2 1 392.385 3.658 20 0 GHADMP [NH3+]C1(CC(=O)Nc2ccccc2NC2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638391573 910144882 /nfs/dbraw/zinc/14/48/82/910144882.db2.gz UCPWCPXGHBTMQS-UHFFFAOYSA-N 2 1 392.547 3.973 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1)C(C)C ZINC000638562801 910191518 /nfs/dbraw/zinc/19/15/18/910191518.db2.gz ZLISTJZDANJDRU-QZTJIDSGSA-N 2 1 385.474 3.516 20 0 GHADMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639081282 910309958 /nfs/dbraw/zinc/30/99/58/910309958.db2.gz XHUVUKVWPOPDRO-KZKAQZJJSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639081282 910309982 /nfs/dbraw/zinc/30/99/82/910309982.db2.gz XHUVUKVWPOPDRO-KZKAQZJJSA-N 2 1 380.536 3.598 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC12CCOCC2 ZINC000639142380 910326653 /nfs/dbraw/zinc/32/66/53/910326653.db2.gz BIPRCDJKKRUXRS-JFJDKTSWSA-N 2 1 384.564 3.512 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC12CCOCC2 ZINC000639142380 910326669 /nfs/dbraw/zinc/32/66/69/910326669.db2.gz BIPRCDJKKRUXRS-JFJDKTSWSA-N 2 1 384.564 3.512 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000639302086 910378722 /nfs/dbraw/zinc/37/87/22/910378722.db2.gz BVMYUFBTGYPXRJ-RCZVLFRGSA-N 3 1 397.607 3.835 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000639302086 910378741 /nfs/dbraw/zinc/37/87/41/910378741.db2.gz BVMYUFBTGYPXRJ-RCZVLFRGSA-N 3 1 397.607 3.835 20 0 GHADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000639316557 910385035 /nfs/dbraw/zinc/38/50/35/910385035.db2.gz LEXWLLUZTLFARD-KRWDZBQOSA-N 2 1 399.398 3.562 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CCN1Cc1ccccc1 ZINC000246734869 910561957 /nfs/dbraw/zinc/56/19/57/910561957.db2.gz MIIRBXWCQGIREC-OIBXWCBGSA-N 2 1 393.531 3.997 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CCN1Cc1ccccc1 ZINC000246734869 910561969 /nfs/dbraw/zinc/56/19/69/910561969.db2.gz MIIRBXWCQGIREC-OIBXWCBGSA-N 2 1 393.531 3.997 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246803515 910651929 /nfs/dbraw/zinc/65/19/29/910651929.db2.gz MYIOQYUAXWQNMI-ICSRJNTNSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246803515 910651936 /nfs/dbraw/zinc/65/19/36/910651936.db2.gz MYIOQYUAXWQNMI-ICSRJNTNSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246803515 910651952 /nfs/dbraw/zinc/65/19/52/910651952.db2.gz MYIOQYUAXWQNMI-ICSRJNTNSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246803515 910651960 /nfs/dbraw/zinc/65/19/60/910651960.db2.gz MYIOQYUAXWQNMI-ICSRJNTNSA-N 2 1 377.573 3.582 20 0 GHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000640533823 911053724 /nfs/dbraw/zinc/05/37/24/911053724.db2.gz WPRLBHJTPMNQDM-UHFFFAOYSA-N 2 1 386.565 3.607 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000640533823 911053740 /nfs/dbraw/zinc/05/37/40/911053740.db2.gz WPRLBHJTPMNQDM-UHFFFAOYSA-N 2 1 386.565 3.607 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774004523 911227506 /nfs/dbraw/zinc/22/75/06/911227506.db2.gz AGJDONDHBIJNQD-PZJWPPBQSA-N 2 1 395.950 3.997 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774004523 911227507 /nfs/dbraw/zinc/22/75/07/911227507.db2.gz AGJDONDHBIJNQD-PZJWPPBQSA-N 2 1 395.950 3.997 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000291103331 914978321 /nfs/dbraw/zinc/97/83/21/914978321.db2.gz JOJVEJWKARACRE-PGRDOPGGSA-N 2 1 380.536 3.923 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000291103331 914978328 /nfs/dbraw/zinc/97/83/28/914978328.db2.gz JOJVEJWKARACRE-PGRDOPGGSA-N 2 1 380.536 3.923 20 0 GHADMP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183527 915075986 /nfs/dbraw/zinc/07/59/86/915075986.db2.gz AHGMQARUBQATMD-FCHUYYIVSA-N 2 1 389.543 3.858 20 0 GHADMP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183527 915076004 /nfs/dbraw/zinc/07/60/04/915076004.db2.gz AHGMQARUBQATMD-FCHUYYIVSA-N 2 1 389.543 3.858 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000647344316 915165465 /nfs/dbraw/zinc/16/54/65/915165465.db2.gz NWXVZAOWSBOTTF-CKUXNOBLSA-N 3 1 381.564 3.623 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000647344316 915165476 /nfs/dbraw/zinc/16/54/76/915165476.db2.gz NWXVZAOWSBOTTF-CKUXNOBLSA-N 2 1 381.564 3.623 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000648483493 915714959 /nfs/dbraw/zinc/71/49/59/915714959.db2.gz DQIVUECPTHIJIE-WMZHIEFXSA-N 2 1 383.580 3.605 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649319706 916100803 /nfs/dbraw/zinc/10/08/03/916100803.db2.gz RVAQWYRZQNLCTH-NRFANRHFSA-N 2 1 385.939 3.710 20 0 GHADMP C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000293806442 916395131 /nfs/dbraw/zinc/39/51/31/916395131.db2.gz YFJRACXYISSEKR-HXUWFJFHSA-N 2 1 383.580 3.622 20 0 GHADMP CC[N@@H+](CCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)C1CCCCC1 ZINC000650374302 916927760 /nfs/dbraw/zinc/92/77/60/916927760.db2.gz YKFJNORWGXGALB-UHFFFAOYSA-N 2 1 386.584 3.767 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cs2)cc1 ZINC000650721820 917250572 /nfs/dbraw/zinc/25/05/72/917250572.db2.gz CIBIZRCULWZJEX-AHRSYUTCSA-N 2 1 387.549 3.680 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000650911667 917337626 /nfs/dbraw/zinc/33/76/26/917337626.db2.gz SZCWVNORATUXEP-XUVXKRRUSA-N 2 1 397.567 3.665 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000650911667 917337637 /nfs/dbraw/zinc/33/76/37/917337637.db2.gz SZCWVNORATUXEP-XUVXKRRUSA-N 2 1 397.567 3.665 20 0 GHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362702418 917376189 /nfs/dbraw/zinc/37/61/89/917376189.db2.gz MTLRCKSTYIYRJG-GJYPPUQNSA-N 2 1 385.474 3.604 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000796445333 917379364 /nfs/dbraw/zinc/37/93/64/917379364.db2.gz TVZJHLHNKDTNSO-QPPBQGQZSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445333 917379371 /nfs/dbraw/zinc/37/93/71/917379371.db2.gz TVZJHLHNKDTNSO-QPPBQGQZSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445333 917379376 /nfs/dbraw/zinc/37/93/76/917379376.db2.gz TVZJHLHNKDTNSO-QPPBQGQZSA-N 2 1 399.579 3.841 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000651211718 917517519 /nfs/dbraw/zinc/51/75/19/917517519.db2.gz WLOBSOWHGMSTGZ-NJDAHSKKSA-N 2 1 377.523 3.749 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651678062 917692239 /nfs/dbraw/zinc/69/22/39/917692239.db2.gz ACXJCZMKBQMRSZ-IBGZPJMESA-N 2 1 375.520 3.789 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651678062 917692246 /nfs/dbraw/zinc/69/22/46/917692246.db2.gz ACXJCZMKBQMRSZ-IBGZPJMESA-N 2 1 375.520 3.789 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000652363162 917882592 /nfs/dbraw/zinc/88/25/92/917882592.db2.gz ZLKIEXJHASGPLK-NZSAHSFTSA-N 2 1 386.458 3.835 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652362686 917883352 /nfs/dbraw/zinc/88/33/52/917883352.db2.gz MSPNXNGADKVPSY-XFQXTVEOSA-N 2 1 387.549 3.680 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001191453530 917984709 /nfs/dbraw/zinc/98/47/09/917984709.db2.gz HCSWFIJBUBPUHL-HXUWFJFHSA-N 2 1 391.556 3.966 20 0 GHADMP CCCCC[N@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)Cc1ccccc1 ZINC000652757340 918005349 /nfs/dbraw/zinc/00/53/49/918005349.db2.gz XZUKXQDJZKFIKQ-NRFANRHFSA-N 2 1 382.552 3.563 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)Cc1ccccc1 ZINC000652757340 918005364 /nfs/dbraw/zinc/00/53/64/918005364.db2.gz XZUKXQDJZKFIKQ-NRFANRHFSA-N 2 1 382.552 3.563 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn2cc[nH+]c12 ZINC000653376085 918230691 /nfs/dbraw/zinc/23/06/91/918230691.db2.gz CHTUDJORSZFUDV-INIZCTEOSA-N 2 1 383.521 3.738 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn2cc[nH+]c12 ZINC000653376085 918230715 /nfs/dbraw/zinc/23/07/15/918230715.db2.gz CHTUDJORSZFUDV-INIZCTEOSA-N 2 1 383.521 3.738 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796568555 918247898 /nfs/dbraw/zinc/24/78/98/918247898.db2.gz BKIZFNKGSQFOTD-QUCCMNQESA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796568555 918247912 /nfs/dbraw/zinc/24/79/12/918247912.db2.gz BKIZFNKGSQFOTD-QUCCMNQESA-N 2 1 376.545 3.695 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000653617224 918360318 /nfs/dbraw/zinc/36/03/18/918360318.db2.gz MMCYJIUZAPTDAL-GGAORHGYSA-N 2 1 392.547 3.974 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000296556725 918386880 /nfs/dbraw/zinc/38/68/80/918386880.db2.gz UGWWEVOWLMRQJV-UHFFFAOYSA-N 2 1 390.597 3.623 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363548162 918398280 /nfs/dbraw/zinc/39/82/80/918398280.db2.gz WTQWAZMZGRLUBO-VNQPRFMTSA-N 2 1 385.430 3.519 20 0 GHADMP C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775509703 918491136 /nfs/dbraw/zinc/49/11/36/918491136.db2.gz PKOIMINMJOOLAZ-YYWHXJBOSA-N 2 1 387.568 3.790 20 0 GHADMP CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000653959189 918647595 /nfs/dbraw/zinc/64/75/95/918647595.db2.gz YVUKBZPYYANOBP-UHFFFAOYSA-N 2 1 390.597 3.574 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000381956742 919716378 /nfs/dbraw/zinc/71/63/78/919716378.db2.gz FOKLCSYNKGSNSX-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP c1ccc([C@H](CCc2cccnc2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000902802136 922505588 /nfs/dbraw/zinc/50/55/88/922505588.db2.gz INWXXYAHWFGIBP-RPWUZVMVSA-N 2 1 379.548 3.989 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(-n2ccnc2)c1 ZINC000902948102 922630460 /nfs/dbraw/zinc/63/04/60/922630460.db2.gz PLLUZGWENZYNIC-DVECYGJZSA-N 2 1 390.531 3.680 20 0 GHADMP COc1ccc([C@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cc1C[NH+]1CCCCC1 ZINC000903064522 922740093 /nfs/dbraw/zinc/74/00/93/922740093.db2.gz NGWCYYKAKLPWAF-LAUBAEHRSA-N 2 1 385.556 3.858 20 0 GHADMP CC[C@H](C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1)c1ccccc1 ZINC000903087808 922762225 /nfs/dbraw/zinc/76/22/25/922762225.db2.gz VFUFSACRYJABDK-DNRMFDCTSA-N 2 1 395.591 3.919 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903148486 922807804 /nfs/dbraw/zinc/80/78/04/922807804.db2.gz SMWCUKAMTARKTB-DTFZGZDNSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1=O ZINC000903176728 922834037 /nfs/dbraw/zinc/83/40/37/922834037.db2.gz DHIRCMAILMPYPC-XDWPUZJZSA-N 2 1 385.527 3.625 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1=O ZINC000903176728 922834060 /nfs/dbraw/zinc/83/40/60/922834060.db2.gz DHIRCMAILMPYPC-XDWPUZJZSA-N 2 1 385.527 3.625 20 0 GHADMP C[C@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000369195313 923196925 /nfs/dbraw/zinc/19/69/25/923196925.db2.gz UJHQYPXOMMHTNW-SJORKVTESA-N 2 1 383.502 3.909 20 0 GHADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(OCC(F)(F)F)c1Br)C2 ZINC000903842543 923335236 /nfs/dbraw/zinc/33/52/36/923335236.db2.gz PCBUQIZCRIGNNJ-DRZSPHRISA-N 2 1 393.247 3.702 20 0 GHADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(OCC(F)(F)F)c1Br)C2 ZINC000903842543 923335247 /nfs/dbraw/zinc/33/52/47/923335247.db2.gz PCBUQIZCRIGNNJ-DRZSPHRISA-N 2 1 393.247 3.702 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1c1ccc(Oc2ccccc2)cc1 ZINC000677238016 924295516 /nfs/dbraw/zinc/29/55/16/924295516.db2.gz UVMSGIFJLSQWOM-DYXWJJEUSA-N 2 1 391.515 3.801 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CN1c1ccc(Oc2ccccc2)cc1 ZINC000677238016 924295521 /nfs/dbraw/zinc/29/55/21/924295521.db2.gz UVMSGIFJLSQWOM-DYXWJJEUSA-N 2 1 391.515 3.801 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000678298943 924714665 /nfs/dbraw/zinc/71/46/65/924714665.db2.gz WOEJTUPPXDRAPQ-HXUWFJFHSA-N 2 1 396.535 3.801 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000678322308 924723909 /nfs/dbraw/zinc/72/39/09/924723909.db2.gz HBSCGQIGWOKUCR-FCHUYYIVSA-N 2 1 384.568 3.709 20 0 GHADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000409639427 924841150 /nfs/dbraw/zinc/84/11/50/924841150.db2.gz DCBREUKGOIURJS-HXUWFJFHSA-N 2 1 391.559 3.736 20 0 GHADMP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000409639427 924841160 /nfs/dbraw/zinc/84/11/60/924841160.db2.gz DCBREUKGOIURJS-HXUWFJFHSA-N 2 1 391.559 3.736 20 0 GHADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)C ZINC000680037294 925338203 /nfs/dbraw/zinc/33/82/03/925338203.db2.gz FSJNZWLBAJZHKL-FCJDFRRUSA-N 2 1 385.596 3.911 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000680087371 925355720 /nfs/dbraw/zinc/35/57/20/925355720.db2.gz ZQQFTFICQDIEHB-TZRRMPRUSA-N 2 1 391.559 3.779 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000410345556 925555184 /nfs/dbraw/zinc/55/51/84/925555184.db2.gz QVDXASQZNOSEAC-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000410352257 925562081 /nfs/dbraw/zinc/56/20/81/925562081.db2.gz ZJNVJOHQZYDUIY-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000410370023 925587718 /nfs/dbraw/zinc/58/77/18/925587718.db2.gz ZMULDGPTWNEJCX-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[N@H+](Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2)CC1CC[NH+](C)CC1 ZINC001137445914 925824903 /nfs/dbraw/zinc/82/49/03/925824903.db2.gz YCKHALDSJUZRKL-UHFFFAOYSA-N 2 1 387.568 3.753 20 0 GHADMP Cc1nsc(N2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC000411289627 926283804 /nfs/dbraw/zinc/28/38/04/926283804.db2.gz FPBAOTWQEQUMGU-UHFFFAOYSA-N 2 1 385.581 3.545 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000397989657 926484823 /nfs/dbraw/zinc/48/48/23/926484823.db2.gz PSKKLJNIROQPLZ-AGHHOFFYSA-N 2 1 388.939 3.580 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000397989666 926485855 /nfs/dbraw/zinc/48/58/55/926485855.db2.gz PSKKLJNIROQPLZ-PIPMEXSNSA-N 2 1 388.939 3.580 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000411555305 926506580 /nfs/dbraw/zinc/50/65/80/926506580.db2.gz VTMNFWJURMHVCF-LAUBAEHRSA-N 2 1 383.511 3.963 20 0 GHADMP C([NH+]1CCSC2(CCC2)CC1)C1(C[N@H+]2CCSC3(CCC3)CC2)COC1 ZINC000411863302 926852848 /nfs/dbraw/zinc/85/28/48/926852848.db2.gz BYRDGWIROWBXFN-UHFFFAOYSA-N 2 1 396.666 3.726 20 0 GHADMP C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000412065671 927052745 /nfs/dbraw/zinc/05/27/45/927052745.db2.gz CYXCIZDYCSUIPM-JWWGGVBKSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H]1[C@H](CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000412065671 927052752 /nfs/dbraw/zinc/05/27/52/927052752.db2.gz CYXCIZDYCSUIPM-JWWGGVBKSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000749587278 927204001 /nfs/dbraw/zinc/20/40/01/927204001.db2.gz HENFLHZGKNIVQR-DSKINZAPSA-N 2 1 387.568 3.585 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H]1c1ccccc1 ZINC000412223100 927224630 /nfs/dbraw/zinc/22/46/30/927224630.db2.gz TUOWWZYUFYYLOI-DHIUTWEWSA-N 2 1 377.532 3.848 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)cc2)C[C@H](C)O1 ZINC000412555349 927569488 /nfs/dbraw/zinc/56/94/88/927569488.db2.gz BTBZTTFXBUOVFC-CALCHBBNSA-N 2 1 399.510 3.749 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)cc2)C[C@H](C)O1 ZINC000412555349 927569497 /nfs/dbraw/zinc/56/94/97/927569497.db2.gz BTBZTTFXBUOVFC-CALCHBBNSA-N 2 1 399.510 3.749 20 0 GHADMP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412692634 927737665 /nfs/dbraw/zinc/73/76/65/927737665.db2.gz DPKIVYXAOREVNM-OAQYLSRUSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000412692634 927737669 /nfs/dbraw/zinc/73/76/69/927737669.db2.gz DPKIVYXAOREVNM-OAQYLSRUSA-N 2 1 391.559 3.632 20 0 GHADMP CCc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000750851687 927897113 /nfs/dbraw/zinc/89/71/13/927897113.db2.gz LFPSVNMMWIOORS-UHFFFAOYSA-N 2 1 377.598 3.579 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000467375559 929012598 /nfs/dbraw/zinc/01/25/98/929012598.db2.gz FHXXKMIBNCUSJO-AKFKNWHVSA-N 2 1 379.548 3.643 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000467375559 929012609 /nfs/dbraw/zinc/01/26/09/929012609.db2.gz FHXXKMIBNCUSJO-AKFKNWHVSA-N 2 1 379.548 3.643 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000753546981 929405338 /nfs/dbraw/zinc/40/53/38/929405338.db2.gz MPVCCGQEOFFIEO-JOCHJYFZSA-N 2 1 382.483 3.906 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000753547762 929406655 /nfs/dbraw/zinc/40/66/55/929406655.db2.gz VRLSSJIQAQIKAP-JXFKEZNVSA-N 2 1 399.539 3.701 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000753662227 929467883 /nfs/dbraw/zinc/46/78/83/929467883.db2.gz QWHMOXQDDRHRQT-XKCSPQBFSA-N 2 1 382.548 3.846 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000753662227 929467888 /nfs/dbraw/zinc/46/78/88/929467888.db2.gz QWHMOXQDDRHRQT-XKCSPQBFSA-N 2 1 382.548 3.846 20 0 GHADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)c1OC ZINC000469990862 930299211 /nfs/dbraw/zinc/29/92/11/930299211.db2.gz HQDPWDIUESZUTP-YIONKMFJSA-N 2 1 383.330 3.571 20 0 GHADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Br)c1OC ZINC000469990862 930299221 /nfs/dbraw/zinc/29/92/21/930299221.db2.gz HQDPWDIUESZUTP-YIONKMFJSA-N 2 1 383.330 3.571 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C[C@H]1C ZINC000470295029 930514966 /nfs/dbraw/zinc/51/49/66/930514966.db2.gz CECNEBVPFQQXHK-HJNYFJLDSA-N 2 1 388.600 3.657 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C[C@H]1C ZINC000470295029 930514975 /nfs/dbraw/zinc/51/49/75/930514975.db2.gz CECNEBVPFQQXHK-HJNYFJLDSA-N 2 1 388.600 3.657 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C[C@H]1C ZINC000470295029 930514979 /nfs/dbraw/zinc/51/49/79/930514979.db2.gz CECNEBVPFQQXHK-HJNYFJLDSA-N 2 1 388.600 3.657 20 0 GHADMP C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780880556 930624933 /nfs/dbraw/zinc/62/49/33/930624933.db2.gz XYHLNAAZHRFFTN-QUCCMNQESA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C(C)C ZINC000470494899 930662571 /nfs/dbraw/zinc/66/25/71/930662571.db2.gz FWJIAQRXNKMRCU-UHFFFAOYSA-N 2 1 392.563 3.552 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C(C)C ZINC000470494899 930662574 /nfs/dbraw/zinc/66/25/74/930662574.db2.gz FWJIAQRXNKMRCU-UHFFFAOYSA-N 2 1 392.563 3.552 20 0 GHADMP C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504532 931078701 /nfs/dbraw/zinc/07/87/01/931078701.db2.gz NDAVYEDXCZJKKM-NFBKMPQASA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547504532 931078708 /nfs/dbraw/zinc/07/87/08/931078708.db2.gz NDAVYEDXCZJKKM-NFBKMPQASA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504532 931078721 /nfs/dbraw/zinc/07/87/21/931078721.db2.gz NDAVYEDXCZJKKM-NFBKMPQASA-N 3 1 381.564 3.627 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)cc2)CC1 ZINC000782761009 931328131 /nfs/dbraw/zinc/32/81/31/931328131.db2.gz XAUYXIKFUBMNTM-RUZDIDTESA-N 2 1 393.575 3.692 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](c3ccccc3)C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000782770145 931331077 /nfs/dbraw/zinc/33/10/77/931331077.db2.gz XJOKCGFZKKLEBF-HSZRJFAPSA-N 2 1 380.536 3.820 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000782778322 931333581 /nfs/dbraw/zinc/33/35/81/931333581.db2.gz LKWNVFIMFBJMQO-DNQXCXABSA-N 2 1 380.532 3.511 20 0 GHADMP CCOCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000782951720 931372915 /nfs/dbraw/zinc/37/29/15/931372915.db2.gz DFRISJRMZBHPPF-IBGZPJMESA-N 2 1 384.520 3.570 20 0 GHADMP CCOCOc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000782951720 931372930 /nfs/dbraw/zinc/37/29/30/931372930.db2.gz DFRISJRMZBHPPF-IBGZPJMESA-N 2 1 384.520 3.570 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924659864 931466059 /nfs/dbraw/zinc/46/60/59/931466059.db2.gz MHULLQMCLCMJDC-CQSZACIVSA-N 2 1 392.897 3.822 20 0 GHADMP C[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000924663574 931467117 /nfs/dbraw/zinc/46/71/17/931467117.db2.gz WLRLXQJOHYGJNX-HXUWFJFHSA-N 2 1 375.944 3.834 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925021548 931615254 /nfs/dbraw/zinc/61/52/54/931615254.db2.gz AHTXZOVGJKYHBO-WMZHIEFXSA-N 2 1 379.504 3.744 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925021548 931615261 /nfs/dbraw/zinc/61/52/61/931615261.db2.gz AHTXZOVGJKYHBO-WMZHIEFXSA-N 2 1 379.504 3.744 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC[C@@H]3CCCO)CC2)cs1 ZINC000925030869 931618339 /nfs/dbraw/zinc/61/83/39/931618339.db2.gz KRZKCONVBQGDTC-QUCCMNQESA-N 2 1 379.614 3.838 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000557962879 931776508 /nfs/dbraw/zinc/77/65/08/931776508.db2.gz QGWGCPLSENKWOM-WWPVKYPJSA-N 2 1 383.580 3.586 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)CC2)cs1 ZINC000925575099 931827693 /nfs/dbraw/zinc/82/76/93/931827693.db2.gz UXRBPQYIAZZGOJ-NRFANRHFSA-N 3 1 386.609 3.987 20 0 GHADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cc[nH]c(=O)c1 ZINC000925687988 931878490 /nfs/dbraw/zinc/87/84/90/931878490.db2.gz DBYDPSJCBCZDAL-OTWHNJEPSA-N 2 1 383.536 3.647 20 0 GHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@H]3CCCc4[nH]ncc43)cc2)C[C@H]1C ZINC000796857113 932090179 /nfs/dbraw/zinc/09/01/79/932090179.db2.gz ZURPPVHYKIUEBX-HMFYCAOWSA-N 2 1 382.552 3.586 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000559268285 932567062 /nfs/dbraw/zinc/56/70/62/932567062.db2.gz ZAQGDJQBLVONGC-VQTJNVASSA-N 2 1 380.573 3.513 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000559282429 932576995 /nfs/dbraw/zinc/57/69/95/932576995.db2.gz SONQTONALFPXOX-UYAOXDASSA-N 2 1 388.556 3.554 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000798271987 932585013 /nfs/dbraw/zinc/58/50/13/932585013.db2.gz VTXZUQJMFQUGFD-DUXKGJEZSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000798271987 932585017 /nfs/dbraw/zinc/58/50/17/932585017.db2.gz VTXZUQJMFQUGFD-DUXKGJEZSA-N 2 1 387.568 3.932 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312245 932591408 /nfs/dbraw/zinc/59/14/08/932591408.db2.gz RGTUGTVHSMOBGZ-GOTSBHOMSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312245 932591426 /nfs/dbraw/zinc/59/14/26/932591426.db2.gz RGTUGTVHSMOBGZ-GOTSBHOMSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312245 932591428 /nfs/dbraw/zinc/59/14/28/932591428.db2.gz RGTUGTVHSMOBGZ-GOTSBHOMSA-N 2 1 397.588 3.762 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312256 932592102 /nfs/dbraw/zinc/59/21/02/932592102.db2.gz RGTUGTVHSMOBGZ-XZOQPEGZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312256 932592124 /nfs/dbraw/zinc/59/21/24/932592124.db2.gz RGTUGTVHSMOBGZ-XZOQPEGZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312256 932592129 /nfs/dbraw/zinc/59/21/29/932592129.db2.gz RGTUGTVHSMOBGZ-XZOQPEGZSA-N 2 1 397.588 3.762 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935057 932823065 /nfs/dbraw/zinc/82/30/65/932823065.db2.gz KKXDMVUPTQSUED-YFNKSVMNSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935057 932823070 /nfs/dbraw/zinc/82/30/70/932823070.db2.gz KKXDMVUPTQSUED-YFNKSVMNSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935057 932823073 /nfs/dbraw/zinc/82/30/73/932823073.db2.gz KKXDMVUPTQSUED-YFNKSVMNSA-N 2 1 387.612 3.625 20 0 GHADMP C[C@@]1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000799013628 932852049 /nfs/dbraw/zinc/85/20/49/932852049.db2.gz UMVXVBBTIVJRSR-QPPBQGQZSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@]1(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000799013628 932852052 /nfs/dbraw/zinc/85/20/52/932852052.db2.gz UMVXVBBTIVJRSR-QPPBQGQZSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@]1(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799013628 932852055 /nfs/dbraw/zinc/85/20/55/932852055.db2.gz UMVXVBBTIVJRSR-QPPBQGQZSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559894649 932927510 /nfs/dbraw/zinc/92/75/10/932927510.db2.gz SSYBIIJRXJSHLV-IFMALSPDSA-N 2 1 379.548 3.969 20 0 GHADMP CN(c1ccccc1)C1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560160453 933100252 /nfs/dbraw/zinc/10/02/52/933100252.db2.gz YHNGLTRNEXBFCP-RUZDIDTESA-N 2 1 393.575 3.878 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2c(c1)CCC=C2 ZINC000560236047 933146655 /nfs/dbraw/zinc/14/66/55/933146655.db2.gz NSFGGTUJUJKWRR-UHFFFAOYSA-N 2 1 395.591 3.914 20 0 GHADMP CCN(CC[NH+]1CCCCCC1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000561781214 934449638 /nfs/dbraw/zinc/44/96/38/934449638.db2.gz NXUQOZZSELHXQJ-UHFFFAOYSA-N 2 1 391.466 3.543 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC000931441169 934560050 /nfs/dbraw/zinc/56/00/50/934560050.db2.gz OVKKCSAWHRRNCD-MOPGFXCFSA-N 2 1 379.504 3.691 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC000931441169 934560055 /nfs/dbraw/zinc/56/00/55/934560055.db2.gz OVKKCSAWHRRNCD-MOPGFXCFSA-N 2 1 379.504 3.691 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC000931441169 934560061 /nfs/dbraw/zinc/56/00/61/934560061.db2.gz OVKKCSAWHRRNCD-MOPGFXCFSA-N 2 1 379.504 3.691 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001121829205 934774710 /nfs/dbraw/zinc/77/47/10/934774710.db2.gz FMCDMYIZCYEYOG-NRFANRHFSA-N 2 1 398.595 3.513 20 0 GHADMP C[NH+]1CCN(c2ccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)cc2Cl)CC1 ZINC000828053865 935570819 /nfs/dbraw/zinc/57/08/19/935570819.db2.gz GFALHGMKYBCXKJ-IBGZPJMESA-N 2 1 386.927 3.511 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC001138007657 935922994 /nfs/dbraw/zinc/92/29/94/935922994.db2.gz RPLATQDDDWNGED-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001138007657 935922996 /nfs/dbraw/zinc/92/29/96/935922996.db2.gz RPLATQDDDWNGED-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001138007657 935922997 /nfs/dbraw/zinc/92/29/97/935922997.db2.gz RPLATQDDDWNGED-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704156 1032074294 /nfs/dbraw/zinc/07/42/94/1032074294.db2.gz IKRXXZYCBJGUPL-UNMCSNQZSA-N 2 1 386.584 3.523 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCCCC[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704156 1032074308 /nfs/dbraw/zinc/07/43/08/1032074308.db2.gz IKRXXZYCBJGUPL-UNMCSNQZSA-N 2 1 386.584 3.523 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCCCC[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704156 1032074323 /nfs/dbraw/zinc/07/43/23/1032074323.db2.gz IKRXXZYCBJGUPL-UNMCSNQZSA-N 2 1 386.584 3.523 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468028204 1015164522 /nfs/dbraw/zinc/16/45/22/1015164522.db2.gz VTPTYWAIEAFSCQ-UGESXGAOSA-N 2 1 388.600 3.876 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(Br)c1O ZINC000544943521 1015252423 /nfs/dbraw/zinc/25/24/23/1015252423.db2.gz PXWFXAGJIGEROQ-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(Br)c1O ZINC000544943521 1015252430 /nfs/dbraw/zinc/25/24/30/1015252430.db2.gz PXWFXAGJIGEROQ-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)c1ccccc1 ZINC001220777378 1032116227 /nfs/dbraw/zinc/11/62/27/1032116227.db2.gz OKIBEZQNMIUKKA-QTJGBDASSA-N 2 1 377.532 3.780 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)c1ccccc1 ZINC001220777378 1032116233 /nfs/dbraw/zinc/11/62/33/1032116233.db2.gz OKIBEZQNMIUKKA-QTJGBDASSA-N 2 1 377.532 3.780 20 0 GHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468554195 1015801670 /nfs/dbraw/zinc/80/16/70/1015801670.db2.gz NQAPUZLXDNHJTM-UWJYYQICSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468554195 1015801681 /nfs/dbraw/zinc/80/16/81/1015801681.db2.gz NQAPUZLXDNHJTM-UWJYYQICSA-N 2 1 392.465 3.863 20 0 GHADMP Cc1[nH+]c2ccc(Br)cc2c(N2CCC[N@H+]([C@@H](C)CO)CC2)c1C ZINC000468747248 1015989864 /nfs/dbraw/zinc/98/98/64/1015989864.db2.gz VAVINBWDDOGPHW-ZDUSSCGKSA-N 2 1 392.341 3.507 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CC[N@H+]3C3CCCC3)cc2)CC1 ZINC001220874122 1032163974 /nfs/dbraw/zinc/16/39/74/1032163974.db2.gz MXRCACKSXLOXPG-HSZRJFAPSA-N 2 1 398.595 3.735 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001220874087 1032164281 /nfs/dbraw/zinc/16/42/81/1032164281.db2.gz MFEJTZIMZXKTQD-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)cc2)C1 ZINC001220880849 1032170352 /nfs/dbraw/zinc/17/03/52/1032170352.db2.gz XZVWDRSACKPMOU-PTUXOGIPSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)C1 ZINC001220880849 1032170365 /nfs/dbraw/zinc/17/03/65/1032170365.db2.gz XZVWDRSACKPMOU-PTUXOGIPSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)C1 ZINC001220880849 1032170376 /nfs/dbraw/zinc/17/03/76/1032170376.db2.gz XZVWDRSACKPMOU-PTUXOGIPSA-N 2 1 398.595 3.735 20 0 GHADMP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001220916885 1032187953 /nfs/dbraw/zinc/18/79/53/1032187953.db2.gz DXOUBIPQOLTOOP-RBUKOAKNSA-N 2 1 397.485 3.866 20 0 GHADMP NC[C@@H]([NH3+])c1ccc(C(=O)NC2(Cc3ccccc3)CCC(F)(F)CC2)cc1 ZINC001220942935 1032200113 /nfs/dbraw/zinc/20/01/13/1032200113.db2.gz MBVVSVRKDMHOQL-LJQANCHMSA-N 2 1 387.474 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001221071151 1032266657 /nfs/dbraw/zinc/26/66/57/1032266657.db2.gz KHPIGPDYFDWFIQ-RBUKOAKNSA-N 2 1 392.613 3.645 20 0 GHADMP CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227447852 1032424204 /nfs/dbraw/zinc/42/42/04/1032424204.db2.gz WIPNAQIAXPRQSN-LEWJYISDSA-N 2 1 388.600 3.659 20 0 GHADMP Cc1cc(Cl)cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155357333 1032516065 /nfs/dbraw/zinc/51/60/65/1032516065.db2.gz DUBAMUKRKJVBLC-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C(C)C)n1 ZINC001155361725 1032518932 /nfs/dbraw/zinc/51/89/32/1032518932.db2.gz MWOULQXHJAURAL-OAQYLSRUSA-N 2 1 393.579 3.822 20 0 GHADMP Cc1[nH+]c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc2[nH]ccc21 ZINC001155363249 1032520075 /nfs/dbraw/zinc/52/00/75/1032520075.db2.gz KONWOSRGXIDOLV-FQEVSTJZSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1nc(N3CCCC3)c(C)c[nH+]1)CC21CC[NH2+]CC1 ZINC001155430591 1032539350 /nfs/dbraw/zinc/53/93/50/1032539350.db2.gz IAIPXNHZLFZSBU-FQEVSTJZSA-N 2 1 377.536 3.872 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCOCC1 ZINC000925837581 1017158271 /nfs/dbraw/zinc/15/82/71/1017158271.db2.gz QYPHFTSGFAVKNA-ZEQRLZLVSA-N 2 1 393.575 3.751 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204269205 1032711723 /nfs/dbraw/zinc/71/17/23/1032711723.db2.gz WQXVBZVKZNUXPF-DNQXCXABSA-N 3 1 393.575 3.581 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000562614501 1018399904 /nfs/dbraw/zinc/39/99/04/1018399904.db2.gz HSGGNGAQRSTPCU-PXNSSMCTSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000562614501 1018399915 /nfs/dbraw/zinc/39/99/15/1018399915.db2.gz HSGGNGAQRSTPCU-PXNSSMCTSA-N 2 1 377.492 3.675 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)s3)C2)nn1 ZINC000562750696 1018602036 /nfs/dbraw/zinc/60/20/36/1018602036.db2.gz SCSVAYAANVMLNO-QGZVFWFLSA-N 2 1 387.940 3.956 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H](COC)[N@H+](Cc4nccs4)C3)CC2)o1 ZINC001204390962 1032816596 /nfs/dbraw/zinc/81/65/96/1032816596.db2.gz LKKZZMQTIZHRQH-QGZVFWFLSA-N 2 1 389.565 3.802 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H](COC)[N@@H+](Cc4nccs4)C3)CC2)o1 ZINC001204390962 1032816612 /nfs/dbraw/zinc/81/66/12/1032816612.db2.gz LKKZZMQTIZHRQH-QGZVFWFLSA-N 2 1 389.565 3.802 20 0 GHADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000567236224 1019277328 /nfs/dbraw/zinc/27/73/28/1019277328.db2.gz ZRHXQGSZRZWUFW-PMVMPFDFSA-N 2 1 377.532 3.508 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573306938 1019826870 /nfs/dbraw/zinc/82/68/70/1019826870.db2.gz ZEPRKGYYWDNAEY-BEFAXECRSA-N 2 1 390.890 3.752 20 0 GHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)c1 ZINC000576761368 1020060187 /nfs/dbraw/zinc/06/01/87/1020060187.db2.gz JWUCFBLOQHUVAB-UHFFFAOYSA-N 2 1 386.565 3.502 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccccc3N3CCOCC3)CC23CC3)cc1 ZINC000577492164 1020210992 /nfs/dbraw/zinc/21/09/92/1020210992.db2.gz GPUYDGKAICMOGG-HSZRJFAPSA-N 2 1 391.559 3.810 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccccc3N3CCOCC3)CC23CC3)cc1 ZINC000577492164 1020211013 /nfs/dbraw/zinc/21/10/13/1020211013.db2.gz GPUYDGKAICMOGG-HSZRJFAPSA-N 2 1 391.559 3.810 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000600946882 1020282913 /nfs/dbraw/zinc/28/29/13/1020282913.db2.gz BXSXQCUVVHZBFK-OAQYLSRUSA-N 2 1 385.939 3.855 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753484 1020358175 /nfs/dbraw/zinc/35/81/75/1020358175.db2.gz XXUPYBPVMCEASQ-QHCPKHFHSA-N 2 1 381.564 3.582 20 0 GHADMP COc1ccc([C@@H](C[NH3+])CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753484 1020358187 /nfs/dbraw/zinc/35/81/87/1020358187.db2.gz XXUPYBPVMCEASQ-QHCPKHFHSA-N 2 1 381.564 3.582 20 0 GHADMP COc1ccc([C@@H](C[NH3+])CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753484 1020358191 /nfs/dbraw/zinc/35/81/91/1020358191.db2.gz XXUPYBPVMCEASQ-QHCPKHFHSA-N 2 1 381.564 3.582 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4c(F)cccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204462667 1032903808 /nfs/dbraw/zinc/90/38/08/1032903808.db2.gz ATCROZREIXGESA-HZPDHXFCSA-N 2 1 396.432 3.532 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4c(F)cccc4C(F)(F)F)C[C@H]3C2)cn1 ZINC001204462667 1032903812 /nfs/dbraw/zinc/90/38/12/1032903812.db2.gz ATCROZREIXGESA-HZPDHXFCSA-N 2 1 396.432 3.532 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc([C@@H]4CCC[NH2+]4)cc3C)c2)CC1 ZINC000629762810 1020766853 /nfs/dbraw/zinc/76/68/53/1020766853.db2.gz ZDBLOLQYLHGRKY-DEOSSOPVSA-N 2 1 377.532 3.751 20 0 GHADMP Nc1ccc(-c2cccc(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)n2)cc1 ZINC000634995536 1020975023 /nfs/dbraw/zinc/97/50/23/1020975023.db2.gz HVSIQSYYAKDCDG-WMZHIEFXSA-N 2 1 390.506 3.953 20 0 GHADMP [NH3+]C1(CC(=O)Nc2ccc(-c3cnco3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637923943 1021032333 /nfs/dbraw/zinc/03/23/33/1021032333.db2.gz FWVIPOSZNJORAS-UHFFFAOYSA-N 2 1 390.487 3.664 20 0 GHADMP O=c1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cccn1C(F)F ZINC000639330183 1021069874 /nfs/dbraw/zinc/06/98/74/1021069874.db2.gz RJXLHLSWXCUSGZ-LJQANCHMSA-N 2 1 387.474 3.635 20 0 GHADMP COc1ccc([C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccn2)cc1 ZINC000652166247 1021215200 /nfs/dbraw/zinc/21/52/00/1021215200.db2.gz MNDBKLCWULHSPS-SELNLUPBSA-N 2 1 383.536 3.659 20 0 GHADMP CSc1ncc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c(N)n1 ZINC001140251283 1021226533 /nfs/dbraw/zinc/22/65/33/1021226533.db2.gz FORXQYCIUPNBDF-UHFFFAOYSA-N 2 1 397.592 3.659 20 0 GHADMP CSc1ncc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c(N)n1 ZINC001140251283 1021226543 /nfs/dbraw/zinc/22/65/43/1021226543.db2.gz FORXQYCIUPNBDF-UHFFFAOYSA-N 2 1 397.592 3.659 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834523503 1021245514 /nfs/dbraw/zinc/24/55/14/1021245514.db2.gz VVPPKWCRTIANOY-RTBURBONSA-N 2 1 399.539 3.843 20 0 GHADMP C[N@@H+](Cc1ccccc1-c1cnc(N)nc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140327892 1021412541 /nfs/dbraw/zinc/41/25/41/1021412541.db2.gz KQBRZNSDASUKFE-UHFFFAOYSA-N 2 1 379.552 3.955 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140332438 1021428909 /nfs/dbraw/zinc/42/89/09/1021428909.db2.gz SFXRELVDJZKQGV-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140332438 1021428915 /nfs/dbraw/zinc/42/89/15/1021428915.db2.gz SFXRELVDJZKQGV-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140332438 1021428920 /nfs/dbraw/zinc/42/89/20/1021428920.db2.gz SFXRELVDJZKQGV-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140332438 1021428929 /nfs/dbraw/zinc/42/89/29/1021428929.db2.gz SFXRELVDJZKQGV-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000834769328 1021456532 /nfs/dbraw/zinc/45/65/32/1021456532.db2.gz KMHWRZHLWNZORB-QUCCMNQESA-N 2 1 384.524 3.693 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140385320 1021538881 /nfs/dbraw/zinc/53/88/81/1021538881.db2.gz BWRBLZHGSZBRPA-IBGZPJMESA-N 2 1 396.560 3.880 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834890792 1021627669 /nfs/dbraw/zinc/62/76/69/1021627669.db2.gz FNPSRVOWZJHVHX-BPIHKTFHSA-N 2 1 388.556 3.691 20 0 GHADMP FC(F)(F)Oc1cc(Br)ccc1C[N@@H+]1CCc2nccn2CC1 ZINC001140513303 1021902100 /nfs/dbraw/zinc/90/21/00/1021902100.db2.gz MSEXUWAJPQTBAX-UHFFFAOYSA-N 2 1 390.203 3.603 20 0 GHADMP FC(F)(F)Oc1cc(Br)ccc1CN1CCc2nccn2CC1 ZINC001140513303 1021902104 /nfs/dbraw/zinc/90/21/04/1021902104.db2.gz MSEXUWAJPQTBAX-UHFFFAOYSA-N 2 1 390.203 3.603 20 0 GHADMP C[C@@H](Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)C1CC[NH+](C)CC1 ZINC000679087239 1021959731 /nfs/dbraw/zinc/95/97/31/1021959731.db2.gz SUXQYODCLBCRLY-IAGOWNOFSA-N 2 1 390.547 3.781 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001140617895 1022083671 /nfs/dbraw/zinc/08/36/71/1022083671.db2.gz VBFHWNZMIWOJFB-RPWUZVMVSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001140617895 1022083682 /nfs/dbraw/zinc/08/36/82/1022083682.db2.gz VBFHWNZMIWOJFB-RPWUZVMVSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001140617895 1022083691 /nfs/dbraw/zinc/08/36/91/1022083691.db2.gz VBFHWNZMIWOJFB-RPWUZVMVSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001140617895 1022083709 /nfs/dbraw/zinc/08/37/09/1022083709.db2.gz VBFHWNZMIWOJFB-RPWUZVMVSA-N 2 1 391.559 3.779 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204685788 1033030210 /nfs/dbraw/zinc/03/02/10/1033030210.db2.gz JWGFOBFMJGMDEB-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001204685788 1033030218 /nfs/dbraw/zinc/03/02/18/1033030218.db2.gz JWGFOBFMJGMDEB-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP Cn1cnc2ccc(C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3ccccn3)cc21 ZINC001140746325 1022417858 /nfs/dbraw/zinc/41/78/58/1022417858.db2.gz ILHQHKUYTOZRBP-UNWVZKJWSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3ccccn3)cc21 ZINC001140746325 1022417859 /nfs/dbraw/zinc/41/78/59/1022417859.db2.gz ILHQHKUYTOZRBP-UNWVZKJWSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@H+](C)Cc3ccccn3)cc21 ZINC001140746325 1022417861 /nfs/dbraw/zinc/41/78/61/1022417861.db2.gz ILHQHKUYTOZRBP-UNWVZKJWSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@@H+](C)Cc3ccccn3)cc21 ZINC001140746325 1022417864 /nfs/dbraw/zinc/41/78/64/1022417864.db2.gz ILHQHKUYTOZRBP-UNWVZKJWSA-N 2 1 389.547 3.701 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001140771145 1022485423 /nfs/dbraw/zinc/48/54/23/1022485423.db2.gz QUKWPLIIVMJRJK-UHFFFAOYSA-N 2 1 396.531 3.898 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)cc1 ZINC000831077411 1024342859 /nfs/dbraw/zinc/34/28/59/1024342859.db2.gz LIYSREZXCCENKI-IFXJQAMLSA-N 2 1 397.910 3.805 20 0 GHADMP [NH3+]CCCCCCNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000831267439 1024461716 /nfs/dbraw/zinc/46/17/16/1024461716.db2.gz MNVNFJPBPQDWRL-UHFFFAOYSA-N 2 1 392.547 3.603 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]21 ZINC001138303331 1024597981 /nfs/dbraw/zinc/59/79/81/1024597981.db2.gz SYZHZGFIABTQGM-RZFNWQHOSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]21 ZINC001138303331 1024597997 /nfs/dbraw/zinc/59/79/97/1024597997.db2.gz SYZHZGFIABTQGM-RZFNWQHOSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4nccnc34)C[C@@H]21 ZINC001138303331 1024598018 /nfs/dbraw/zinc/59/80/18/1024598018.db2.gz SYZHZGFIABTQGM-RZFNWQHOSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4nccnc34)C[C@@H]21 ZINC001138303331 1024598033 /nfs/dbraw/zinc/59/80/33/1024598033.db2.gz SYZHZGFIABTQGM-RZFNWQHOSA-N 2 1 387.531 3.757 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138449269 1024871971 /nfs/dbraw/zinc/87/19/71/1024871971.db2.gz VEHSKYUPPIGRIP-UPVQGACJSA-N 2 1 394.563 3.565 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138449269 1024872000 /nfs/dbraw/zinc/87/20/00/1024872000.db2.gz VEHSKYUPPIGRIP-UPVQGACJSA-N 2 1 394.563 3.565 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138449269 1024872012 /nfs/dbraw/zinc/87/20/12/1024872012.db2.gz VEHSKYUPPIGRIP-UPVQGACJSA-N 2 1 394.563 3.565 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138449269 1024872026 /nfs/dbraw/zinc/87/20/26/1024872026.db2.gz VEHSKYUPPIGRIP-UPVQGACJSA-N 2 1 394.563 3.565 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138449269 1024872041 /nfs/dbraw/zinc/87/20/41/1024872041.db2.gz VEHSKYUPPIGRIP-UPVQGACJSA-N 2 1 394.563 3.565 20 0 GHADMP COc1ccc(C)cc1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001138485651 1024915633 /nfs/dbraw/zinc/91/56/33/1024915633.db2.gz APBGJHFZVRGFAL-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001138485651 1024915636 /nfs/dbraw/zinc/91/56/36/1024915636.db2.gz APBGJHFZVRGFAL-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001138485651 1024915643 /nfs/dbraw/zinc/91/56/43/1024915643.db2.gz APBGJHFZVRGFAL-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001138485651 1024915649 /nfs/dbraw/zinc/91/56/49/1024915649.db2.gz APBGJHFZVRGFAL-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001138485651 1024915653 /nfs/dbraw/zinc/91/56/53/1024915653.db2.gz APBGJHFZVRGFAL-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138544650 1024988710 /nfs/dbraw/zinc/98/87/10/1024988710.db2.gz MBMIZJXLCDOPIA-UHFFFAOYSA-N 2 1 389.499 3.845 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138544650 1024988712 /nfs/dbraw/zinc/98/87/12/1024988712.db2.gz MBMIZJXLCDOPIA-UHFFFAOYSA-N 2 1 389.499 3.845 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001138544790 1024989655 /nfs/dbraw/zinc/98/96/55/1024989655.db2.gz PABRFCQAIUPVKQ-IHPCNDPISA-N 2 1 382.508 3.668 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001138544790 1024989659 /nfs/dbraw/zinc/98/96/59/1024989659.db2.gz PABRFCQAIUPVKQ-IHPCNDPISA-N 2 1 382.508 3.668 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cc1 ZINC001138549147 1024995581 /nfs/dbraw/zinc/99/55/81/1024995581.db2.gz LWOPOQRMQIDTIY-VWNXMTODSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cc1 ZINC001138549147 1024995585 /nfs/dbraw/zinc/99/55/85/1024995585.db2.gz LWOPOQRMQIDTIY-VWNXMTODSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001138549717 1024997071 /nfs/dbraw/zinc/99/70/71/1024997071.db2.gz CGPGXWTZNTUZKT-XMMPIXPASA-N 2 1 390.531 3.514 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001138549717 1024997074 /nfs/dbraw/zinc/99/70/74/1024997074.db2.gz CGPGXWTZNTUZKT-XMMPIXPASA-N 2 1 390.531 3.514 20 0 GHADMP CCCn1ncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138635764 1025142072 /nfs/dbraw/zinc/14/20/72/1025142072.db2.gz JYFZBJPQGNCGHJ-HSZRJFAPSA-N 2 1 396.579 3.857 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)cc1 ZINC001138772242 1025342244 /nfs/dbraw/zinc/34/22/44/1025342244.db2.gz VMGDJSGQWANBCG-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771999 1025342362 /nfs/dbraw/zinc/34/23/62/1025342362.db2.gz LTULAVKSCRGCNM-DNQXCXABSA-N 2 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771999 1025342372 /nfs/dbraw/zinc/34/23/72/1025342372.db2.gz LTULAVKSCRGCNM-DNQXCXABSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771999 1025342376 /nfs/dbraw/zinc/34/23/76/1025342376.db2.gz LTULAVKSCRGCNM-DNQXCXABSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771999 1025342386 /nfs/dbraw/zinc/34/23/86/1025342386.db2.gz LTULAVKSCRGCNM-DNQXCXABSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771999 1025342404 /nfs/dbraw/zinc/34/24/04/1025342404.db2.gz LTULAVKSCRGCNM-DNQXCXABSA-N 3 1 393.575 3.581 20 0 GHADMP CC(C)COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138968162 1025680146 /nfs/dbraw/zinc/68/01/46/1025680146.db2.gz KZGWNPLGXOPIDF-ISKFKSNPSA-N 2 1 386.580 3.902 20 0 GHADMP CC(C)COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138968162 1025680157 /nfs/dbraw/zinc/68/01/57/1025680157.db2.gz KZGWNPLGXOPIDF-ISKFKSNPSA-N 2 1 386.580 3.902 20 0 GHADMP CC(C)COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001138968162 1025680167 /nfs/dbraw/zinc/68/01/67/1025680167.db2.gz KZGWNPLGXOPIDF-ISKFKSNPSA-N 2 1 386.580 3.902 20 0 GHADMP CC(C)COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001138968162 1025680188 /nfs/dbraw/zinc/68/01/88/1025680188.db2.gz KZGWNPLGXOPIDF-ISKFKSNPSA-N 2 1 386.580 3.902 20 0 GHADMP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@@]3(C1)COCCN(C(C)C)C3)cn2C ZINC001139146681 1025960190 /nfs/dbraw/zinc/96/01/90/1025960190.db2.gz PUOXWXLUFSSCCA-QHCPKHFHSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1CCC[C@@]3(C1)COCCN(C(C)C)C3)cn2C ZINC001139146681 1025960192 /nfs/dbraw/zinc/96/01/92/1025960192.db2.gz PUOXWXLUFSSCCA-QHCPKHFHSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@@]3(C1)COCC[NH+](C(C)C)C3)cn2C ZINC001139146681 1025960195 /nfs/dbraw/zinc/96/01/95/1025960195.db2.gz PUOXWXLUFSSCCA-QHCPKHFHSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1CCC[C@@]3(C1)COCC[NH+](C(C)C)C3)cn2C ZINC001139146681 1025960202 /nfs/dbraw/zinc/96/02/02/1025960202.db2.gz PUOXWXLUFSSCCA-QHCPKHFHSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1CCC[C@@]3(C1)COCC[N@@H+](C(C)C)C3)cn2C ZINC001139146681 1025960210 /nfs/dbraw/zinc/96/02/10/1025960210.db2.gz PUOXWXLUFSSCCA-QHCPKHFHSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1CCC[C@@]3(C1)COCC[N@H+](C(C)C)C3)cn2C ZINC001139146681 1025960213 /nfs/dbraw/zinc/96/02/13/1025960213.db2.gz PUOXWXLUFSSCCA-QHCPKHFHSA-N 2 1 385.552 3.510 20 0 GHADMP CCc1nc(Cl)cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162929649 1025970012 /nfs/dbraw/zinc/97/00/12/1025970012.db2.gz OGMAIZVUQRZTJJ-GOSISDBHSA-N 2 1 399.970 3.606 20 0 GHADMP FC(F)c1cccnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162931704 1025971559 /nfs/dbraw/zinc/97/15/59/1025971559.db2.gz AWBLHAOKPGOGTE-GOSISDBHSA-N 2 1 386.490 3.933 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)OCO2 ZINC001461045947 1069358940 /nfs/dbraw/zinc/35/89/40/1069358940.db2.gz SLHIHIAWJPAZBV-KRWDZBQOSA-N 2 1 382.504 3.946 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)OCO2 ZINC001461045947 1069358955 /nfs/dbraw/zinc/35/89/55/1069358955.db2.gz SLHIHIAWJPAZBV-KRWDZBQOSA-N 2 1 382.504 3.946 20 0 GHADMP CCn1ccc2c1cccc2C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001139154151 1025974296 /nfs/dbraw/zinc/97/42/96/1025974296.db2.gz MJDRNFWZFMSMRH-UHFFFAOYSA-N 2 1 391.563 3.902 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4cnccc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940132 1025976440 /nfs/dbraw/zinc/97/64/40/1025976440.db2.gz AFUGRNMIQLRGBF-NRFANRHFSA-N 2 1 387.531 3.544 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3nonc3c1)CC2 ZINC001139220066 1026076179 /nfs/dbraw/zinc/07/61/79/1026076179.db2.gz BRRSTQQZMIYEQF-KRWDZBQOSA-N 2 1 398.532 3.540 20 0 GHADMP CN(CCC[NH+](C)C)c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001163597308 1026245796 /nfs/dbraw/zinc/24/57/96/1026245796.db2.gz DBBHPCBYJVDURT-UHFFFAOYSA-N 2 1 387.597 3.554 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(-c5cnccn5)cc4)C[C@H]3C2)c1 ZINC001139387812 1026254829 /nfs/dbraw/zinc/25/48/29/1026254829.db2.gz RZCAOJHKCLKAEN-PMACEKPBSA-N 2 1 376.529 3.769 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3cc4ccc(Br)cc4[nH]3)CC2)cc[nH+]1 ZINC001139477266 1026340353 /nfs/dbraw/zinc/34/03/53/1026340353.db2.gz XGYXXQZKMDKXMS-UHFFFAOYSA-N 2 1 385.309 3.956 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2cccnc2C2CC[NH2+]CC2)nc1 ZINC001163910342 1026359376 /nfs/dbraw/zinc/35/93/76/1026359376.db2.gz YBEYITUCPYGMFG-GOSISDBHSA-N 2 1 379.552 3.930 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCCC4(COC4)C3)CC2)cc1 ZINC001139514230 1026370219 /nfs/dbraw/zinc/37/02/19/1026370219.db2.gz KAVBOOVWEIYXPA-UHFFFAOYSA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@]4(CCOC4)C3)CC2)cc1 ZINC001139514528 1026370379 /nfs/dbraw/zinc/37/03/79/1026370379.db2.gz MRYYNQOPLVUXLE-VWLOTQADSA-N 2 1 391.559 3.621 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1CO ZINC001139515715 1026372717 /nfs/dbraw/zinc/37/27/17/1026372717.db2.gz WBMWWOVLAHYWCD-PXDATVDWSA-N 2 1 393.575 3.602 20 0 GHADMP C[NH+]1CCC(C2CCN(c3nc(Cl)ccc3C[NH+]3CCCC3)CC2)CC1 ZINC001165065947 1026584700 /nfs/dbraw/zinc/58/47/00/1026584700.db2.gz RAIRVNVCRCSZMD-UHFFFAOYSA-N 2 1 376.976 3.889 20 0 GHADMP CN(c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21)C1C[NH2+]C1 ZINC001165127790 1026622320 /nfs/dbraw/zinc/62/23/20/1026622320.db2.gz WNIJPIFWBNQAND-UHFFFAOYSA-N 2 1 393.560 3.752 20 0 GHADMP COc1cc2c[nH+]c(N3[C@@H](C(F)(F)F)CCC34CC[NH2+]CC4)cc2cc1OC ZINC001165307880 1026700004 /nfs/dbraw/zinc/70/00/04/1026700004.db2.gz SDBDQVUHVVPUAO-QGZVFWFLSA-N 2 1 395.425 3.905 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC001461154433 1069415937 /nfs/dbraw/zinc/41/59/37/1069415937.db2.gz YMNJVDILHREXNB-NQHRYMMQSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001461154433 1069415940 /nfs/dbraw/zinc/41/59/40/1069415940.db2.gz YMNJVDILHREXNB-NQHRYMMQSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001461154433 1069415943 /nfs/dbraw/zinc/41/59/43/1069415943.db2.gz YMNJVDILHREXNB-NQHRYMMQSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001461154433 1069415950 /nfs/dbraw/zinc/41/59/50/1069415950.db2.gz YMNJVDILHREXNB-NQHRYMMQSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001461154433 1069415954 /nfs/dbraw/zinc/41/59/54/1069415954.db2.gz YMNJVDILHREXNB-NQHRYMMQSA-N 2 1 377.576 3.661 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(C)o3)s2)[C@@H](C)C1 ZINC001461204759 1069442024 /nfs/dbraw/zinc/44/20/24/1069442024.db2.gz DRIMUMMEJYTUAY-YJBOKZPZSA-N 2 1 377.554 3.938 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccc(C)o3)s2)[C@@H](C)C1 ZINC001461204759 1069442030 /nfs/dbraw/zinc/44/20/30/1069442030.db2.gz DRIMUMMEJYTUAY-YJBOKZPZSA-N 2 1 377.554 3.938 20 0 GHADMP CC[N@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167037331 1027210730 /nfs/dbraw/zinc/21/07/30/1027210730.db2.gz BIDFKTAWHMRLGT-AVRDEDQJSA-N 2 1 399.966 3.941 20 0 GHADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167037331 1027210756 /nfs/dbraw/zinc/21/07/56/1027210756.db2.gz BIDFKTAWHMRLGT-AVRDEDQJSA-N 2 1 399.966 3.941 20 0 GHADMP CC[NH+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167037331 1027210779 /nfs/dbraw/zinc/21/07/79/1027210779.db2.gz BIDFKTAWHMRLGT-AVRDEDQJSA-N 2 1 399.966 3.941 20 0 GHADMP CC[NH+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167037331 1027210801 /nfs/dbraw/zinc/21/08/01/1027210801.db2.gz BIDFKTAWHMRLGT-AVRDEDQJSA-N 2 1 399.966 3.941 20 0 GHADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)COc2ccccc2O1 ZINC001203241714 1027245445 /nfs/dbraw/zinc/24/54/45/1027245445.db2.gz DFINQYWXSLDSKP-HSZRJFAPSA-N 2 1 384.495 3.652 20 0 GHADMP COc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001203427068 1027328688 /nfs/dbraw/zinc/32/86/88/1027328688.db2.gz CDCHJPQVOQDNFO-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001203427068 1027328706 /nfs/dbraw/zinc/32/87/06/1027328706.db2.gz CDCHJPQVOQDNFO-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001203427068 1027328730 /nfs/dbraw/zinc/32/87/30/1027328730.db2.gz CDCHJPQVOQDNFO-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001203427068 1027328753 /nfs/dbraw/zinc/32/87/53/1027328753.db2.gz CDCHJPQVOQDNFO-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP CCCSc1nc(Cl)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)n1 ZINC001210262546 1027411534 /nfs/dbraw/zinc/41/15/34/1027411534.db2.gz KVHJTUWLTHVARQ-UHFFFAOYSA-N 2 1 399.351 3.834 20 0 GHADMP CCOc1ccccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001203536683 1027414740 /nfs/dbraw/zinc/41/47/40/1027414740.db2.gz DGQWABDBSKTSEZ-QFIPXVFZSA-N 2 1 395.547 3.736 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001461254581 1069463960 /nfs/dbraw/zinc/46/39/60/1069463960.db2.gz HQWIOEDHHTUJHK-ROUUACIJSA-N 2 1 391.357 3.906 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001210844210 1027674915 /nfs/dbraw/zinc/67/49/15/1027674915.db2.gz IBDLTPOSXJHZDR-VQTJNVASSA-N 2 1 388.556 3.513 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203891607 1027685981 /nfs/dbraw/zinc/68/59/81/1027685981.db2.gz WHYHUVNOHFXZIK-QHCPKHFHSA-N 2 1 379.548 3.893 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203914172 1027703357 /nfs/dbraw/zinc/70/33/57/1027703357.db2.gz JOYIDMLNXXVRNX-IBGZPJMESA-N 2 1 389.540 3.785 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203914172 1027703368 /nfs/dbraw/zinc/70/33/68/1027703368.db2.gz JOYIDMLNXXVRNX-IBGZPJMESA-N 2 1 389.540 3.785 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052057 1027838415 /nfs/dbraw/zinc/83/84/15/1027838415.db2.gz DPBQOLALOSXORP-CEWLAPEOSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052057 1027838432 /nfs/dbraw/zinc/83/84/32/1027838432.db2.gz DPBQOLALOSXORP-CEWLAPEOSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052057 1027838456 /nfs/dbraw/zinc/83/84/56/1027838456.db2.gz DPBQOLALOSXORP-CEWLAPEOSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052057 1027838468 /nfs/dbraw/zinc/83/84/68/1027838468.db2.gz DPBQOLALOSXORP-CEWLAPEOSA-N 2 1 379.504 3.543 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052057 1027838484 /nfs/dbraw/zinc/83/84/84/1027838484.db2.gz DPBQOLALOSXORP-CEWLAPEOSA-N 2 1 379.504 3.543 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052057 1027838497 /nfs/dbraw/zinc/83/84/97/1027838497.db2.gz DPBQOLALOSXORP-CEWLAPEOSA-N 2 1 379.504 3.543 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001211294273 1027896784 /nfs/dbraw/zinc/89/67/84/1027896784.db2.gz ABLCVINGEFSYSB-SJBKTWHCSA-N 2 1 388.600 3.879 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1 ZINC001142587682 1029111900 /nfs/dbraw/zinc/11/19/00/1029111900.db2.gz YZRWJWRANRICJQ-DHIUTWEWSA-N 2 1 378.516 3.736 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5[nH]cnc54)CC3)C2)cc1 ZINC001142684396 1029265288 /nfs/dbraw/zinc/26/52/88/1029265288.db2.gz WXBXTKWJBNTDDQ-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5nc[nH]c54)CC3)C2)cc1 ZINC001142684396 1029265309 /nfs/dbraw/zinc/26/53/09/1029265309.db2.gz WXBXTKWJBNTDDQ-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5nc[nH]c54)CC3)C2)cc1 ZINC001142684396 1029265323 /nfs/dbraw/zinc/26/53/23/1029265323.db2.gz WXBXTKWJBNTDDQ-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842679588 1029485029 /nfs/dbraw/zinc/48/50/29/1029485029.db2.gz IWHVYBKOMSKVQV-NRFANRHFSA-N 2 1 385.552 3.783 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842679588 1029485034 /nfs/dbraw/zinc/48/50/34/1029485034.db2.gz IWHVYBKOMSKVQV-NRFANRHFSA-N 2 1 385.552 3.783 20 0 GHADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000842921563 1029686152 /nfs/dbraw/zinc/68/61/52/1029686152.db2.gz QKKSRRZDKDZZAR-FYQPLNBISA-N 2 1 394.506 3.679 20 0 GHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842922293 1029687190 /nfs/dbraw/zinc/68/71/90/1029687190.db2.gz VUCCKWUXYMWVKC-BWPNAZKDSA-N 2 1 375.557 3.613 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC001143140115 1029865461 /nfs/dbraw/zinc/86/54/61/1029865461.db2.gz JPHFWHQGZNIODI-NRFANRHFSA-N 2 1 395.547 3.967 20 0 GHADMP C[C@H](CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC001221968655 1029910617 /nfs/dbraw/zinc/91/06/17/1029910617.db2.gz ZZWKHMKUROMCGW-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP CC1(C)CCC[N@@H+](CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001222009144 1029929318 /nfs/dbraw/zinc/92/93/18/1029929318.db2.gz BRRSBEGPFBBLOT-NRFANRHFSA-N 2 1 386.584 3.635 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C\C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407632 1029980848 /nfs/dbraw/zinc/98/08/48/1029980848.db2.gz VMWYKBOZCZPQQG-WHXUGTBJSA-N 2 1 385.552 3.854 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407632 1029980853 /nfs/dbraw/zinc/98/08/53/1029980853.db2.gz VMWYKBOZCZPQQG-WHXUGTBJSA-N 2 1 385.552 3.854 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001222496388 1030168134 /nfs/dbraw/zinc/16/81/34/1030168134.db2.gz QISVWZCRUKJEOJ-YADHBBJMSA-N 2 1 388.600 3.981 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1Cl ZINC001222502739 1030171745 /nfs/dbraw/zinc/17/17/45/1030171745.db2.gz RISXITBIALAPBC-KBPBESRZSA-N 2 1 382.257 3.538 20 0 GHADMP c1nc2c(cccc2C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]1 ZINC001222582835 1030210836 /nfs/dbraw/zinc/21/08/36/1030210836.db2.gz HZWUQONHPVDTMO-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1nc2cccc(C[N@@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)c2[nH]1 ZINC001222582835 1030210850 /nfs/dbraw/zinc/21/08/50/1030210850.db2.gz HZWUQONHPVDTMO-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1nc2cccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)c2[nH]1 ZINC001222582835 1030210863 /nfs/dbraw/zinc/21/08/63/1030210863.db2.gz HZWUQONHPVDTMO-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1cc2cc(C[N@@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccn2n1 ZINC001222590725 1030215519 /nfs/dbraw/zinc/21/55/19/1030215519.db2.gz MMGVZWWWHUHMCX-QHCPKHFHSA-N 2 1 390.531 3.638 20 0 GHADMP c1cc2cc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccn2n1 ZINC001222590725 1030215536 /nfs/dbraw/zinc/21/55/36/1030215536.db2.gz MMGVZWWWHUHMCX-QHCPKHFHSA-N 2 1 390.531 3.638 20 0 GHADMP c1cn2c(cccc2C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n1 ZINC001222590114 1030216002 /nfs/dbraw/zinc/21/60/02/1030216002.db2.gz FIHYGHNVAAOAND-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1cn2c(cccc2C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n1 ZINC001222590114 1030216016 /nfs/dbraw/zinc/21/60/16/1030216016.db2.gz FIHYGHNVAAOAND-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP COc1cc(C)c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222590685 1030216657 /nfs/dbraw/zinc/21/66/57/1030216657.db2.gz LUADZJQKWVRLGE-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1cc(C)c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222590685 1030216675 /nfs/dbraw/zinc/21/66/75/1030216675.db2.gz LUADZJQKWVRLGE-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP CCc1cccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n1 ZINC001222591548 1030219412 /nfs/dbraw/zinc/21/94/12/1030219412.db2.gz VXPITJBUZTZOPR-QHCPKHFHSA-N 2 1 379.548 3.947 20 0 GHADMP CCc1cccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n1 ZINC001222591548 1030219430 /nfs/dbraw/zinc/21/94/30/1030219430.db2.gz VXPITJBUZTZOPR-QHCPKHFHSA-N 2 1 379.548 3.947 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222609462 1030232617 /nfs/dbraw/zinc/23/26/17/1030232617.db2.gz OJNUKUUXAVQWBW-HXUWFJFHSA-N 2 1 380.442 3.544 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222609462 1030232632 /nfs/dbraw/zinc/23/26/32/1030232632.db2.gz OJNUKUUXAVQWBW-HXUWFJFHSA-N 2 1 380.442 3.544 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC001222623171 1030246317 /nfs/dbraw/zinc/24/63/17/1030246317.db2.gz DJTDYPHXMYRHAX-BETUJISGSA-N 2 1 384.471 3.599 20 0 GHADMP Brc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC001222629225 1030249484 /nfs/dbraw/zinc/24/94/84/1030249484.db2.gz FDFPSWCREJNNQQ-TXEJJXNPSA-N 2 1 388.147 3.643 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC001222667458 1030269467 /nfs/dbraw/zinc/26/94/67/1030269467.db2.gz RKYIAPXARUPTSC-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC001222667458 1030269481 /nfs/dbraw/zinc/26/94/81/1030269481.db2.gz RKYIAPXARUPTSC-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC001222667458 1030269498 /nfs/dbraw/zinc/26/94/98/1030269498.db2.gz RKYIAPXARUPTSC-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP CC[N@H+]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001223107959 1030447611 /nfs/dbraw/zinc/44/76/11/1030447611.db2.gz QSFQIVLOXGDAAJ-LJQANCHMSA-N 2 1 394.563 3.651 20 0 GHADMP [NH3+][C@H](Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1ccccc1Cl ZINC001217713022 1030622188 /nfs/dbraw/zinc/62/21/88/1030622188.db2.gz WSXUWXUPSBLMRF-OALUTQOASA-N 2 1 396.922 3.825 20 0 GHADMP [NH3+][C@H](CCc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1ccccc1 ZINC001217727574 1030631546 /nfs/dbraw/zinc/63/15/46/1030631546.db2.gz ZPGRHCUZNPMRPN-NHCUHLMSSA-N 2 1 376.504 3.562 20 0 GHADMP Clc1ccc(C[N@@H+]2CC[C@@H](OC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1Cl ZINC001217912717 1030672330 /nfs/dbraw/zinc/67/23/30/1030672330.db2.gz VIEVUTGWTCNJAQ-SJORKVTESA-N 2 1 399.362 3.743 20 0 GHADMP Clc1ccc(C[N@H+]2CC[C@@H](OC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1Cl ZINC001217912717 1030672339 /nfs/dbraw/zinc/67/23/39/1030672339.db2.gz VIEVUTGWTCNJAQ-SJORKVTESA-N 2 1 399.362 3.743 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001150873429 1030693025 /nfs/dbraw/zinc/69/30/25/1030693025.db2.gz OGMPCSWSZYJQMB-JOCHJYFZSA-N 2 1 383.580 3.908 20 0 GHADMP C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001217993366 1030711115 /nfs/dbraw/zinc/71/11/15/1030711115.db2.gz WCNBWISMZHSGPT-QFIXIFRTSA-N 2 1 378.516 3.911 20 0 GHADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2CSC4(C[NH2+]C4)C2)cc13 ZINC001218099124 1030771537 /nfs/dbraw/zinc/77/15/37/1030771537.db2.gz FBSRMNWGHXVHLF-LUBSMZHTSA-N 2 1 384.589 3.601 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001224178290 1030914874 /nfs/dbraw/zinc/91/48/74/1030914874.db2.gz ROQMVXUXYCUEMC-FXAWDEMLSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001224492064 1031026611 /nfs/dbraw/zinc/02/66/11/1031026611.db2.gz JXLCYQCFMWHDDB-HBMCJLEFSA-N 2 1 392.632 3.698 20 0 GHADMP CO[C@H]([C@@H](C)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@@H]1CCC[NH2+]1 ZINC001218846798 1031112002 /nfs/dbraw/zinc/11/20/02/1031112002.db2.gz AFNBZZYGYSDGCM-MQNAVGNWSA-N 2 1 393.531 3.544 20 0 GHADMP CO[C@H]([C@@H](C)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@@H]1CCC[NH2+]1 ZINC001218846798 1031112009 /nfs/dbraw/zinc/11/20/09/1031112009.db2.gz AFNBZZYGYSDGCM-MQNAVGNWSA-N 2 1 393.531 3.544 20 0 GHADMP C[NH2+]C1CCC(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)CC1 ZINC001219047164 1031230385 /nfs/dbraw/zinc/23/03/85/1031230385.db2.gz REIROJWIRDPLQA-GRERDSQWSA-N 2 1 377.532 3.981 20 0 GHADMP [NH3+]CCC[NH2+]CC(=O)Nc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1 ZINC001219161412 1031279695 /nfs/dbraw/zinc/27/96/95/1031279695.db2.gz FIXMPAFPPGUNIA-UHFFFAOYSA-N 2 1 389.499 3.810 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001153057507 1031443389 /nfs/dbraw/zinc/44/33/89/1031443389.db2.gz DJEHVZUYMHQPAY-APWZRJJASA-N 2 1 395.950 3.853 20 0 GHADMP Cc1ccc2c(c1)[C@H](NC(=O)CC[N@H+](C)Cc1ccccc1)CC21CC[NH2+]CC1 ZINC001219753438 1031594186 /nfs/dbraw/zinc/59/41/86/1031594186.db2.gz HYVFVXXUZNQQJO-HSZRJFAPSA-N 2 1 391.559 3.699 20 0 GHADMP CC(C)(NC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001220066025 1031763823 /nfs/dbraw/zinc/76/38/23/1031763823.db2.gz NWJMQYFBCXKUHX-HNNXBMFYSA-N 2 1 397.485 3.521 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001220524797 1031977027 /nfs/dbraw/zinc/97/70/27/1031977027.db2.gz QNJCBHHHEOFJML-AQNXPRMDSA-N 2 1 388.600 3.694 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc(OC)c1OCc1ccccc1 ZINC001461834179 1069779182 /nfs/dbraw/zinc/77/91/82/1069779182.db2.gz YCFFYYMNDQYFET-PWRODBHTSA-N 2 1 396.531 3.713 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccc4[nH]ccc43)O2)CC1 ZINC001205274741 1033336282 /nfs/dbraw/zinc/33/62/82/1033336282.db2.gz SWWGROJMCGQIER-AGILITTLSA-N 2 1 397.563 3.648 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(Br)cccc2OC(F)F)CC1 ZINC001205591410 1033483220 /nfs/dbraw/zinc/48/32/20/1033483220.db2.gz MEIOSYIZYAVUGX-HNNXBMFYSA-N 2 1 381.236 3.703 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Br)cccc2OC(F)F)CC1 ZINC001205591410 1033483224 /nfs/dbraw/zinc/48/32/24/1033483224.db2.gz MEIOSYIZYAVUGX-HNNXBMFYSA-N 2 1 381.236 3.703 20 0 GHADMP CC[C@H](C)[C@@H](C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OC ZINC001205702439 1033538428 /nfs/dbraw/zinc/53/84/28/1033538428.db2.gz GMZJUNTZLKPKPO-HRAATJIYSA-N 2 1 377.573 3.664 20 0 GHADMP CC[C@H](C)[C@@H](C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OC ZINC001205702439 1033538436 /nfs/dbraw/zinc/53/84/36/1033538436.db2.gz GMZJUNTZLKPKPO-HRAATJIYSA-N 2 1 377.573 3.664 20 0 GHADMP CC1(Nc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC[NH2+]CC1 ZINC001157403467 1033569424 /nfs/dbraw/zinc/56/94/24/1033569424.db2.gz QEQCQOPIEZMPCQ-UHFFFAOYSA-N 2 1 385.581 3.720 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(OCc2ccccc2)c1OC ZINC001205912536 1033632389 /nfs/dbraw/zinc/63/23/89/1033632389.db2.gz AYNYAMLBROWTIN-XLIONFOSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(OCc2ccccc2)c1OC ZINC001205912536 1033632405 /nfs/dbraw/zinc/63/24/05/1033632405.db2.gz AYNYAMLBROWTIN-XLIONFOSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(OCc2ccccc2)c1OC ZINC001205912537 1033632864 /nfs/dbraw/zinc/63/28/64/1033632864.db2.gz AYNYAMLBROWTIN-YLJYHZDGSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(OCc2ccccc2)c1OC ZINC001205912537 1033632869 /nfs/dbraw/zinc/63/28/69/1033632869.db2.gz AYNYAMLBROWTIN-YLJYHZDGSA-N 2 1 384.520 3.842 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H](c3ccccc3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615199 1033691157 /nfs/dbraw/zinc/69/11/57/1033691157.db2.gz CHSNOVFCENLXCX-CDPNLFKUSA-N 2 1 391.559 3.501 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206025326 1033693633 /nfs/dbraw/zinc/69/36/33/1033693633.db2.gz NLUZSSXGMRNUOU-RXVVDRJESA-N 2 1 396.531 3.859 20 0 GHADMP C[C@@H]1[C@H]([NH3+])CCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001157744138 1033749548 /nfs/dbraw/zinc/74/95/48/1033749548.db2.gz KYZLLRNMVDIRPB-NVXWUHKLSA-N 2 1 399.608 3.872 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@H]1F ZINC001206172921 1033753446 /nfs/dbraw/zinc/75/34/46/1033753446.db2.gz CPRGFMISHLOAHA-HUUCEWRRSA-N 2 1 384.318 3.834 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@H]1F ZINC001206172921 1033753454 /nfs/dbraw/zinc/75/34/54/1033753454.db2.gz CPRGFMISHLOAHA-HUUCEWRRSA-N 2 1 384.318 3.834 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCN(c3c(Cl)cc(Cl)nc3Cl)CC2)CC1 ZINC001157837442 1033789316 /nfs/dbraw/zinc/78/93/16/1033789316.db2.gz CEQRVWKFDDOGRY-UHFFFAOYSA-N 2 1 377.747 3.506 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001229931910 1033798488 /nfs/dbraw/zinc/79/84/88/1033798488.db2.gz XFWYHLDVFUWMHK-XKGZKEIXSA-N 2 1 394.991 3.547 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001229931910 1033798502 /nfs/dbraw/zinc/79/85/02/1033798502.db2.gz XFWYHLDVFUWMHK-XKGZKEIXSA-N 2 1 394.991 3.547 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001158148655 1033936267 /nfs/dbraw/zinc/93/62/67/1033936267.db2.gz UBBCLVZZPBQWEG-WGSAOQKQSA-N 2 1 383.515 3.883 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2cc(Cl)ncc2F)c1 ZINC001158323065 1034022584 /nfs/dbraw/zinc/02/25/84/1034022584.db2.gz UXDIUSWDQDUMKZ-UHFFFAOYSA-N 2 1 386.805 3.586 20 0 GHADMP Fc1cnccc1N(c1nc(Cl)ccc1C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC001158339452 1034032142 /nfs/dbraw/zinc/03/21/42/1034032142.db2.gz CYBNAAORJSYKNL-UHFFFAOYSA-N 2 1 389.906 3.755 20 0 GHADMP C[C@H]([NH3+])c1ccn(-c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)n1 ZINC001158355969 1034039821 /nfs/dbraw/zinc/03/98/21/1034039821.db2.gz LNPMQAPZJRXMAP-AWEZNQCLSA-N 2 1 396.564 3.617 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001158521685 1034125672 /nfs/dbraw/zinc/12/56/72/1034125672.db2.gz KYVTXEYCXWGDMT-WOJBJXKFSA-N 2 1 394.563 3.559 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2C[C@@H]21 ZINC001207289483 1034240584 /nfs/dbraw/zinc/24/05/84/1034240584.db2.gz PLYLCQOLLVNVFD-RTWAWAEBSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2C[C@@H]21 ZINC001207289483 1034240594 /nfs/dbraw/zinc/24/05/94/1034240594.db2.gz PLYLCQOLLVNVFD-RTWAWAEBSA-N 2 1 385.552 3.592 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291464 1034241514 /nfs/dbraw/zinc/24/15/14/1034241514.db2.gz RHTOHIOVMNCYLW-ZEQRLZLVSA-N 2 1 386.580 3.806 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001207293987 1034247828 /nfs/dbraw/zinc/24/78/28/1034247828.db2.gz FYISITLNNUHPLH-ZEQRLZLVSA-N 2 1 392.543 3.787 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC001207356443 1034300479 /nfs/dbraw/zinc/30/04/79/1034300479.db2.gz JRDQFPVUGYBDOA-VXKWHMMOSA-N 2 1 386.580 3.947 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374189 1034316206 /nfs/dbraw/zinc/31/62/06/1034316206.db2.gz FNXAVMWEOFFFLF-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374189 1034316223 /nfs/dbraw/zinc/31/62/23/1034316223.db2.gz FNXAVMWEOFFFLF-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374189 1034316240 /nfs/dbraw/zinc/31/62/40/1034316240.db2.gz FNXAVMWEOFFFLF-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207379246 1034322610 /nfs/dbraw/zinc/32/26/10/1034322610.db2.gz SSMXPKQIGHZZLK-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207379246 1034322621 /nfs/dbraw/zinc/32/26/21/1034322621.db2.gz SSMXPKQIGHZZLK-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207379246 1034322639 /nfs/dbraw/zinc/32/26/39/1034322639.db2.gz SSMXPKQIGHZZLK-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207379246 1034322647 /nfs/dbraw/zinc/32/26/47/1034322647.db2.gz SSMXPKQIGHZZLK-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207379246 1034322660 /nfs/dbraw/zinc/32/26/60/1034322660.db2.gz SSMXPKQIGHZZLK-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP O=C([C@H]1CCC[C@@H](c2ccccc2)[NH2+]1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977023 1034367034 /nfs/dbraw/zinc/36/70/34/1034367034.db2.gz PZHPADBBFFTZKF-FCHUYYIVSA-N 2 1 381.564 3.737 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](CC2CC[NH2+]CC2)C2CCCC2)C1 ZINC001207441629 1034370377 /nfs/dbraw/zinc/37/03/77/1034370377.db2.gz HJLIWROSADWXDD-IBGZPJMESA-N 2 1 379.589 3.878 20 0 GHADMP Cc1cccc(CC[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001207535032 1034439582 /nfs/dbraw/zinc/43/95/82/1034439582.db2.gz SYOIHUAVMVSAHP-QHCPKHFHSA-N 2 1 379.548 3.688 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[N@@H+](CCCC4CCCCC4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001207607004 1034483144 /nfs/dbraw/zinc/48/31/44/1034483144.db2.gz CVBIKFOCPUQZOM-VJBWXMMDSA-N 2 1 385.600 3.813 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+](CCCC4CCCCC4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001207607004 1034483153 /nfs/dbraw/zinc/48/31/53/1034483153.db2.gz CVBIKFOCPUQZOM-VJBWXMMDSA-N 2 1 385.600 3.813 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+](CCCC4CCCCC4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001207607004 1034483164 /nfs/dbraw/zinc/48/31/64/1034483164.db2.gz CVBIKFOCPUQZOM-VJBWXMMDSA-N 2 1 385.600 3.813 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)CC1 ZINC001207635305 1034501741 /nfs/dbraw/zinc/50/17/41/1034501741.db2.gz NFFOTHBGRZALFT-IPMKNSEASA-N 2 1 389.584 3.652 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001207761991 1034562715 /nfs/dbraw/zinc/56/27/15/1034562715.db2.gz OEZGDDMWIMRFQP-UHFFFAOYSA-N 2 1 377.573 3.584 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001231422727 1034572728 /nfs/dbraw/zinc/57/27/28/1034572728.db2.gz PFSJGELEBQBJNR-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001231422727 1034572736 /nfs/dbraw/zinc/57/27/36/1034572736.db2.gz PFSJGELEBQBJNR-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001231422727 1034572750 /nfs/dbraw/zinc/57/27/50/1034572750.db2.gz PFSJGELEBQBJNR-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001231422727 1034572755 /nfs/dbraw/zinc/57/27/55/1034572755.db2.gz PFSJGELEBQBJNR-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001207822600 1034599475 /nfs/dbraw/zinc/59/94/75/1034599475.db2.gz OPYOCHHRKNLWQO-SJORKVTESA-N 2 1 389.531 3.542 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001207822600 1034599483 /nfs/dbraw/zinc/59/94/83/1034599483.db2.gz OPYOCHHRKNLWQO-SJORKVTESA-N 2 1 389.531 3.542 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001231504736 1034647931 /nfs/dbraw/zinc/64/79/31/1034647931.db2.gz BASRPCIEIHOVDF-WOJBJXKFSA-N 2 1 386.561 3.727 20 0 GHADMP C[C@@H](C[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21)c1ccccc1 ZINC001207906337 1034648011 /nfs/dbraw/zinc/64/80/11/1034648011.db2.gz NDRXQBNRLCLKSQ-GDKQOWJMSA-N 2 1 386.580 3.770 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001159567083 1034668069 /nfs/dbraw/zinc/66/80/69/1034668069.db2.gz QUHWXSQRTFIIJY-GTCWDNOESA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001159567083 1034668077 /nfs/dbraw/zinc/66/80/77/1034668077.db2.gz QUHWXSQRTFIIJY-GTCWDNOESA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001159567083 1034668081 /nfs/dbraw/zinc/66/80/81/1034668081.db2.gz QUHWXSQRTFIIJY-GTCWDNOESA-N 2 1 383.580 3.809 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](C)Cc3ccc(C(C)C)cc3)CC[C@@H]2C1 ZINC001207940309 1034669362 /nfs/dbraw/zinc/66/93/62/1034669362.db2.gz NJAFQRLVIQBOGM-TUACAJSNSA-N 2 1 388.596 3.658 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](C)Cc3ccc(C(C)C)cc3)CC[C@@H]2C1 ZINC001207940309 1034669371 /nfs/dbraw/zinc/66/93/71/1034669371.db2.gz NJAFQRLVIQBOGM-TUACAJSNSA-N 2 1 388.596 3.658 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](C)Cc3ccc(C(C)C)cc3)CC[C@@H]2C1 ZINC001207940309 1034669381 /nfs/dbraw/zinc/66/93/81/1034669381.db2.gz NJAFQRLVIQBOGM-TUACAJSNSA-N 2 1 388.596 3.658 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208115721 1034742566 /nfs/dbraw/zinc/74/25/66/1034742566.db2.gz LGSCBJXSMDOSJH-FQEVSTJZSA-N 2 1 387.568 3.670 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCCC1 ZINC001208192723 1034789032 /nfs/dbraw/zinc/78/90/32/1034789032.db2.gz XQFBDFFOMHFLFE-QFIPXVFZSA-N 2 1 391.506 3.516 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001231639969 1034796162 /nfs/dbraw/zinc/79/61/62/1034796162.db2.gz DAPOGKONVZXCBO-QHCPKHFHSA-N 2 1 394.563 3.542 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@H](C)Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC001208213224 1034803266 /nfs/dbraw/zinc/80/32/66/1034803266.db2.gz HJFUQWZGZWIWDK-QZTJIDSGSA-N 2 1 398.551 3.707 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nc(C)ccc2O)CC3)c1 ZINC001231672172 1034824969 /nfs/dbraw/zinc/82/49/69/1034824969.db2.gz ORXSFRNJAKSABP-UHFFFAOYSA-N 2 1 381.520 3.592 20 0 GHADMP Fc1cc(Nc2cccc(CC[NH+]3CCOCC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001160098485 1034857048 /nfs/dbraw/zinc/85/70/48/1034857048.db2.gz AIHIKRNMWAKWJF-UHFFFAOYSA-N 2 1 399.510 3.575 20 0 GHADMP CSc1ccccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001231784181 1034907479 /nfs/dbraw/zinc/90/74/79/1034907479.db2.gz BUKQSRRFQMSYRJ-UHFFFAOYSA-N 2 1 397.588 3.918 20 0 GHADMP c1cc(CC[NH+]2CCOCC2)cc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001160267010 1034923825 /nfs/dbraw/zinc/92/38/25/1034923825.db2.gz WXQYGACQVRYFOT-QFIPXVFZSA-N 2 1 379.548 3.847 20 0 GHADMP CCN(CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208578893 1034938915 /nfs/dbraw/zinc/93/89/15/1034938915.db2.gz MSBKSKOSSRAXNV-QHCPKHFHSA-N 2 1 387.568 3.841 20 0 GHADMP CCN(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208578893 1034938920 /nfs/dbraw/zinc/93/89/20/1034938920.db2.gz MSBKSKOSSRAXNV-QHCPKHFHSA-N 2 1 387.568 3.841 20 0 GHADMP CCN(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208578893 1034938926 /nfs/dbraw/zinc/93/89/26/1034938926.db2.gz MSBKSKOSSRAXNV-QHCPKHFHSA-N 2 1 387.568 3.841 20 0 GHADMP CCN(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208578893 1034938928 /nfs/dbraw/zinc/93/89/28/1034938928.db2.gz MSBKSKOSSRAXNV-QHCPKHFHSA-N 2 1 387.568 3.841 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208585575 1034943163 /nfs/dbraw/zinc/94/31/63/1034943163.db2.gz MFLKKQBRACHFKZ-JWQCQUIFSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208585575 1034943168 /nfs/dbraw/zinc/94/31/68/1034943168.db2.gz MFLKKQBRACHFKZ-JWQCQUIFSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208585575 1034943173 /nfs/dbraw/zinc/94/31/73/1034943173.db2.gz MFLKKQBRACHFKZ-JWQCQUIFSA-N 2 1 399.623 3.864 20 0 GHADMP COc1cccc([C@@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c2ccccc2)c1 ZINC001160347145 1034947671 /nfs/dbraw/zinc/94/76/71/1034947671.db2.gz XOALXFFFQCGRAA-QFIPXVFZSA-N 2 1 389.503 3.614 20 0 GHADMP CCOC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)Cc2cn(CC3CCCC3)nc21 ZINC001208596502 1034950382 /nfs/dbraw/zinc/95/03/82/1034950382.db2.gz RAZRGADTRMAFAP-QFIPXVFZSA-N 2 1 388.600 3.741 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608139 1034952274 /nfs/dbraw/zinc/95/22/74/1034952274.db2.gz PYZLQIPHGJZGAS-ICSRJNTNSA-N 2 1 379.589 3.830 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608139 1034952278 /nfs/dbraw/zinc/95/22/78/1034952278.db2.gz PYZLQIPHGJZGAS-ICSRJNTNSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608139 1034952281 /nfs/dbraw/zinc/95/22/81/1034952281.db2.gz PYZLQIPHGJZGAS-ICSRJNTNSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608139 1034952286 /nfs/dbraw/zinc/95/22/86/1034952286.db2.gz PYZLQIPHGJZGAS-ICSRJNTNSA-N 2 1 379.589 3.830 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C)C1 ZINC001208618842 1034954922 /nfs/dbraw/zinc/95/49/22/1034954922.db2.gz TUOQUCTVHMOXBU-SESVDKBCSA-N 2 1 376.516 3.701 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001208618842 1034954927 /nfs/dbraw/zinc/95/49/27/1034954927.db2.gz TUOQUCTVHMOXBU-SESVDKBCSA-N 2 1 376.516 3.701 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001208618842 1034954933 /nfs/dbraw/zinc/95/49/33/1034954933.db2.gz TUOQUCTVHMOXBU-SESVDKBCSA-N 2 1 376.516 3.701 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208618842 1034954935 /nfs/dbraw/zinc/95/49/35/1034954935.db2.gz TUOQUCTVHMOXBU-SESVDKBCSA-N 2 1 376.516 3.701 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208618842 1034954938 /nfs/dbraw/zinc/95/49/38/1034954938.db2.gz TUOQUCTVHMOXBU-SESVDKBCSA-N 2 1 376.516 3.701 20 0 GHADMP C[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001208621856 1034956051 /nfs/dbraw/zinc/95/60/51/1034956051.db2.gz ABSDLYCZZISOQS-UHFFFAOYSA-N 2 1 387.568 3.697 20 0 GHADMP CC(C)(CC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208664812 1034974082 /nfs/dbraw/zinc/97/40/82/1034974082.db2.gz ASFJINRGLVEELU-ISKFKSNPSA-N 2 1 393.575 3.972 20 0 GHADMP CC(C)(CC[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208664812 1034974087 /nfs/dbraw/zinc/97/40/87/1034974087.db2.gz ASFJINRGLVEELU-ISKFKSNPSA-N 2 1 393.575 3.972 20 0 GHADMP CC(C)(CC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208664812 1034974093 /nfs/dbraw/zinc/97/40/93/1034974093.db2.gz ASFJINRGLVEELU-ISKFKSNPSA-N 2 1 393.575 3.972 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](CCC1CCCC1)CC2 ZINC001208692858 1034981639 /nfs/dbraw/zinc/98/16/39/1034981639.db2.gz DDHJYOXTAWPUJT-JOCHJYFZSA-N 2 1 378.601 3.796 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231906312 1034982474 /nfs/dbraw/zinc/98/24/74/1034982474.db2.gz QGWJVJBPTNLZMC-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](C)c1cccc3ccccc31)CC2 ZINC001208712715 1034989559 /nfs/dbraw/zinc/98/95/59/1034989559.db2.gz YUEWXADFOVAPQB-IBGZPJMESA-N 2 1 379.548 3.620 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](C)c1cccc3ccccc31)CC2 ZINC001208712715 1034989563 /nfs/dbraw/zinc/98/95/63/1034989563.db2.gz YUEWXADFOVAPQB-IBGZPJMESA-N 2 1 379.548 3.620 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC3(c4ccccc4)CCCC3)CC2)C1 ZINC001208776978 1035015957 /nfs/dbraw/zinc/01/59/57/1035015957.db2.gz AFOVQFBDPKPLQH-FQEVSTJZSA-N 2 1 384.564 3.848 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC001231971750 1035016956 /nfs/dbraw/zinc/01/69/56/1035016956.db2.gz SDOMPNNKSACYHD-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC001231971750 1035016964 /nfs/dbraw/zinc/01/69/64/1035016964.db2.gz SDOMPNNKSACYHD-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC001231971750 1035016968 /nfs/dbraw/zinc/01/69/68/1035016968.db2.gz SDOMPNNKSACYHD-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC001231971750 1035016980 /nfs/dbraw/zinc/01/69/80/1035016980.db2.gz SDOMPNNKSACYHD-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)C2)CC1 ZINC001160650522 1035025287 /nfs/dbraw/zinc/02/52/87/1035025287.db2.gz JENSAIBHLNANAF-PMVMPFDFSA-N 2 1 383.580 3.650 20 0 GHADMP Fc1ncc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001231992498 1035029171 /nfs/dbraw/zinc/02/91/71/1035029171.db2.gz FEYKAUDGQTYGMQ-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP C[C@@]1(CC(=O)N(Cc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC001160680556 1035033764 /nfs/dbraw/zinc/03/37/64/1035033764.db2.gz UNQNZAVTGIOYJT-ZCYQVOJMSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160681976 1035034732 /nfs/dbraw/zinc/03/47/32/1035034732.db2.gz BCPMJLQPLBYZDM-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(C[C@H]1CCCC[NH2+]1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160683551 1035035150 /nfs/dbraw/zinc/03/51/50/1035035150.db2.gz NMIGXRMWRWEXEC-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H](F)C3)CC2)cc1 ZINC001208815227 1035035732 /nfs/dbraw/zinc/03/57/32/1035035732.db2.gz LHAQFRFFYDXYIH-FQEVSTJZSA-N 2 1 376.516 3.898 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001232002146 1035035906 /nfs/dbraw/zinc/03/59/06/1035035906.db2.gz KJYBTWMRYMEOOF-MOPGFXCFSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001232002146 1035035918 /nfs/dbraw/zinc/03/59/18/1035035918.db2.gz KJYBTWMRYMEOOF-MOPGFXCFSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001232002146 1035035927 /nfs/dbraw/zinc/03/59/27/1035035927.db2.gz KJYBTWMRYMEOOF-MOPGFXCFSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001232002146 1035035932 /nfs/dbraw/zinc/03/59/32/1035035932.db2.gz KJYBTWMRYMEOOF-MOPGFXCFSA-N 2 1 392.469 3.701 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093682 1035090663 /nfs/dbraw/zinc/09/06/63/1035090663.db2.gz XWSWFKQDEYKNPK-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093682 1035090672 /nfs/dbraw/zinc/09/06/72/1035090672.db2.gz XWSWFKQDEYKNPK-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093682 1035090681 /nfs/dbraw/zinc/09/06/81/1035090681.db2.gz XWSWFKQDEYKNPK-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093682 1035090685 /nfs/dbraw/zinc/09/06/85/1035090685.db2.gz XWSWFKQDEYKNPK-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093682 1035090693 /nfs/dbraw/zinc/09/06/93/1035090693.db2.gz XWSWFKQDEYKNPK-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208931961 1035093988 /nfs/dbraw/zinc/09/39/88/1035093988.db2.gz MWCATWXETFKONV-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208931961 1035093997 /nfs/dbraw/zinc/09/39/97/1035093997.db2.gz MWCATWXETFKONV-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208931961 1035094002 /nfs/dbraw/zinc/09/40/02/1035094002.db2.gz MWCATWXETFKONV-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208931961 1035094009 /nfs/dbraw/zinc/09/40/09/1035094009.db2.gz MWCATWXETFKONV-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC001208933053 1035096642 /nfs/dbraw/zinc/09/66/42/1035096642.db2.gz CJXQHBKHPLHPRP-OFVILXPXSA-N 2 1 389.543 3.519 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC001208933053 1035096650 /nfs/dbraw/zinc/09/66/50/1035096650.db2.gz CJXQHBKHPLHPRP-OFVILXPXSA-N 2 1 389.543 3.519 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC001208933053 1035096655 /nfs/dbraw/zinc/09/66/55/1035096655.db2.gz CJXQHBKHPLHPRP-OFVILXPXSA-N 2 1 389.543 3.519 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208934677 1035098190 /nfs/dbraw/zinc/09/81/90/1035098190.db2.gz IBPIFZUSZDQHJK-VXNXHJTFSA-N 2 1 386.580 3.806 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934677 1035098200 /nfs/dbraw/zinc/09/82/00/1035098200.db2.gz IBPIFZUSZDQHJK-VXNXHJTFSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940169 1035107608 /nfs/dbraw/zinc/10/76/08/1035107608.db2.gz APYAXLFWBWQFMK-OAQYLSRUSA-N 2 1 387.568 3.745 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+]4CCc5ccccc5[C@H]4C3)C2)cc1 ZINC001208939863 1035108279 /nfs/dbraw/zinc/10/82/79/1035108279.db2.gz KILARFLEOVCSBE-RCZVLFRGSA-N 2 1 375.560 3.814 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[N@@H+]4CCc5ccccc5[C@H]4C3)C2)cc1 ZINC001208939863 1035108283 /nfs/dbraw/zinc/10/82/83/1035108283.db2.gz KILARFLEOVCSBE-RCZVLFRGSA-N 2 1 375.560 3.814 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[N@H+]4CCc5ccccc5[C@H]4C3)C2)cc1 ZINC001208939863 1035108287 /nfs/dbraw/zinc/10/82/87/1035108287.db2.gz KILARFLEOVCSBE-RCZVLFRGSA-N 2 1 375.560 3.814 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001232147589 1035125234 /nfs/dbraw/zinc/12/52/34/1035125234.db2.gz CVIMVILBVKMUGS-NRFANRHFSA-N 2 1 387.524 3.578 20 0 GHADMP c1csc(C[NH+]2CC[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125775 /nfs/dbraw/zinc/12/57/75/1035125775.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(C[N@H+]2CC[C@@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125776 /nfs/dbraw/zinc/12/57/76/1035125776.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(C[N@@H+]2CC[C@@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125780 /nfs/dbraw/zinc/12/57/80/1035125780.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125783 /nfs/dbraw/zinc/12/57/83/1035125783.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125785 /nfs/dbraw/zinc/12/57/85/1035125785.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@@H]3C[N@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125787 /nfs/dbraw/zinc/12/57/87/1035125787.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@@H]3C[N@@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953138 1035125790 /nfs/dbraw/zinc/12/57/90/1035125790.db2.gz YSIWXDZVESOBBQ-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1)C(=O)OC(C)(C)C ZINC001232150174 1035128629 /nfs/dbraw/zinc/12/86/29/1035128629.db2.gz UGCAWOBGKDQKLB-MRXNPFEDSA-N 2 1 379.520 3.576 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC001232150768 1035128858 /nfs/dbraw/zinc/12/88/58/1035128858.db2.gz UOODUQKXZDRERK-QHCPKHFHSA-N 2 1 399.485 3.655 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001208956358 1035129794 /nfs/dbraw/zinc/12/97/94/1035129794.db2.gz HMJVNKCNDZXMLW-NRFANRHFSA-N 2 1 387.568 3.841 20 0 GHADMP O=C(NC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1F ZINC001208961051 1035132709 /nfs/dbraw/zinc/13/27/09/1035132709.db2.gz YGOXVMYWWQWJNB-HXUWFJFHSA-N 2 1 395.522 3.542 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001208995874 1035141659 /nfs/dbraw/zinc/14/16/59/1035141659.db2.gz YVMGUFMOYVDQJB-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP COc1cc2c[nH+]c(NC3CC[NH+](Cc4ccncc4)CC3)cc2cc1OC ZINC001161106438 1035143277 /nfs/dbraw/zinc/14/32/77/1035143277.db2.gz WMURTVNDMGIHRW-UHFFFAOYSA-N 2 1 378.476 3.724 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209005570 1035146592 /nfs/dbraw/zinc/14/65/92/1035146592.db2.gz SZUSGVNWWAICIC-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209005570 1035146596 /nfs/dbraw/zinc/14/65/96/1035146596.db2.gz SZUSGVNWWAICIC-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209005570 1035146599 /nfs/dbraw/zinc/14/65/99/1035146599.db2.gz SZUSGVNWWAICIC-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209005570 1035146602 /nfs/dbraw/zinc/14/66/02/1035146602.db2.gz SZUSGVNWWAICIC-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001232239605 1035179519 /nfs/dbraw/zinc/17/95/19/1035179519.db2.gz JIYCTURLZKLDLL-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP Cc1cc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c2c(n1)CCCC2 ZINC001461948878 1069909601 /nfs/dbraw/zinc/90/96/01/1069909601.db2.gz JQIJVQJZKDZINB-UHFFFAOYSA-N 2 1 392.591 3.518 20 0 GHADMP Cc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c2c(n1)CCCC2 ZINC001461948878 1069909609 /nfs/dbraw/zinc/90/96/09/1069909609.db2.gz JQIJVQJZKDZINB-UHFFFAOYSA-N 2 1 392.591 3.518 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1F ZINC001161399236 1035222655 /nfs/dbraw/zinc/22/26/55/1035222655.db2.gz ALSIFBIGGZFQMA-NRFANRHFSA-N 2 1 399.510 3.759 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1F ZINC001161399236 1035222661 /nfs/dbraw/zinc/22/26/61/1035222661.db2.gz ALSIFBIGGZFQMA-NRFANRHFSA-N 2 1 399.510 3.759 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3ncnc4c3CC[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161456040 1035234771 /nfs/dbraw/zinc/23/47/71/1035234771.db2.gz FPSZAHWQPYKXHK-XZOQPEGZSA-N 2 1 399.542 3.593 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2C12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451979 1035278048 /nfs/dbraw/zinc/27/80/48/1035278048.db2.gz YLMSCIUPDKPIKK-UHFFFAOYSA-N 2 1 381.564 3.653 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc3c(cn1)OCCC3)CC2 ZINC001209500638 1035294118 /nfs/dbraw/zinc/29/41/18/1035294118.db2.gz CWIGSCUXKSZADB-JOCHJYFZSA-N 2 1 381.520 3.876 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc3c(cn1)OCCC3)CC2 ZINC001209500815 1035294132 /nfs/dbraw/zinc/29/41/32/1035294132.db2.gz DZPFAADLRDVIPW-UHFFFAOYSA-N 2 1 392.547 3.678 20 0 GHADMP CCOC(=O)c1c(C)[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1C ZINC001209607798 1035328290 /nfs/dbraw/zinc/32/82/90/1035328290.db2.gz UFIDCEAVJOPDSU-UHFFFAOYSA-N 2 1 399.535 3.889 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(Br)ccc2Cl)no1 ZINC001248194215 1035622487 /nfs/dbraw/zinc/62/24/87/1035622487.db2.gz HCUGPBROANCVQI-ZDUSSCGKSA-N 2 1 387.709 3.884 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C(F)(F)F)c(Cl)c1)C2 ZINC001278332612 1035633834 /nfs/dbraw/zinc/63/38/34/1035633834.db2.gz ZOIHPAIUASDNHD-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3ccc([C@H]4CN5CCSC5=[NH+]4)cc3)cc2)CC1 ZINC001241744287 1035668104 /nfs/dbraw/zinc/66/81/04/1035668104.db2.gz POJVJJLEEAYPRQ-JOCHJYFZSA-N 2 1 392.572 3.955 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1 ZINC001241768023 1035686600 /nfs/dbraw/zinc/68/66/00/1035686600.db2.gz DCZQVYDUAPEQPM-QHCPKHFHSA-N 2 1 394.563 3.977 20 0 GHADMP Cc1cc(Cl)ccc1NC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001248385309 1035796979 /nfs/dbraw/zinc/79/69/79/1035796979.db2.gz DGPAQLLMNXNVLZ-UHFFFAOYSA-N 2 1 375.929 3.604 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(CC)[C@@H]1CC[NH+](CC)C1)c1ccc(Cl)cc1 ZINC001248630120 1036009348 /nfs/dbraw/zinc/00/93/48/1036009348.db2.gz XNQCSPKXPKUPLD-UXHICEINSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC001248630120 1036009367 /nfs/dbraw/zinc/00/93/67/1036009367.db2.gz XNQCSPKXPKUPLD-UXHICEINSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC001248630120 1036009390 /nfs/dbraw/zinc/00/93/90/1036009390.db2.gz XNQCSPKXPKUPLD-UXHICEINSA-N 2 1 394.991 3.849 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2cc(C(F)(F)F)cc(Cl)c2F)no1 ZINC001248899284 1036228993 /nfs/dbraw/zinc/22/89/93/1036228993.db2.gz ZOYZIGJPIHLKCA-GFCCVEGCSA-N 2 1 392.784 3.937 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(-c2ccncc2C[NH3+])n1 ZINC001245557807 1036951189 /nfs/dbraw/zinc/95/11/89/1036951189.db2.gz OOYIQVLKQVUXIU-UHFFFAOYSA-N 2 1 375.501 3.941 20 0 GHADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](C[C@H](O)c3cc(Cl)cc4c3-c3ccc(Cl)cc3C4)C[C@H]21 ZINC001246018779 1037138335 /nfs/dbraw/zinc/13/83/35/1037138335.db2.gz XVXLUFFZUZYIKM-HAGHYFMRSA-N 2 1 389.326 3.735 20 0 GHADMP COc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246070389 1037186417 /nfs/dbraw/zinc/18/64/17/1037186417.db2.gz NQHQUCQPJJVYGN-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246071854 1037188204 /nfs/dbraw/zinc/18/82/04/1037188204.db2.gz VGQONPJBUZWXIV-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP [NH3+]CCCC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCc1ccccc1 ZINC001246190548 1037229432 /nfs/dbraw/zinc/22/94/32/1037229432.db2.gz FYGAEBQJEQORKM-BZSNNMDCSA-N 2 1 386.458 3.938 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[NH2+]C3(CCCCC3)C2)c2ccccc12 ZINC001246196056 1037234068 /nfs/dbraw/zinc/23/40/68/1037234068.db2.gz DQLGDTSQDGSYJR-QUCCMNQESA-N 2 1 383.536 3.702 20 0 GHADMP C[C@@H]1CC(NCc2ccccc2N2CC[NH2+]CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246315051 1037291556 /nfs/dbraw/zinc/29/15/56/1037291556.db2.gz FVGGSDRLQYOREZ-NHCUHLMSSA-N 2 1 392.591 3.627 20 0 GHADMP Nc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001246342640 1037304107 /nfs/dbraw/zinc/30/41/07/1037304107.db2.gz IPLNTEIQFXMIOW-MSOLQXFVSA-N 2 1 379.426 3.620 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001246357714 1037316349 /nfs/dbraw/zinc/31/63/49/1037316349.db2.gz YERSUWKOLOWDOY-VAXXYWNWSA-N 2 1 397.563 3.948 20 0 GHADMP CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246362238 1037321353 /nfs/dbraw/zinc/32/13/53/1037321353.db2.gz QWYHFHGLFCLNHA-VQTJNVASSA-N 2 1 394.401 3.781 20 0 GHADMP CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246362976 1037322672 /nfs/dbraw/zinc/32/26/72/1037322672.db2.gz VNTVZFDGZZSFCR-PMACEKPBSA-N 2 1 394.401 3.781 20 0 GHADMP COc1ccccc1C1(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC001246378102 1037334002 /nfs/dbraw/zinc/33/40/02/1037334002.db2.gz VULGDBWPLODTDY-JOCHJYFZSA-N 2 1 393.575 3.918 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)C[C@H](CC)[NH2+]1 ZINC001246378310 1037335519 /nfs/dbraw/zinc/33/55/19/1037335519.db2.gz WEBAVSVVZKBPRY-VSZNYVQBSA-N 2 1 397.357 3.952 20 0 GHADMP Clc1ccc(CC2(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391735 1037352170 /nfs/dbraw/zinc/35/21/70/1037352170.db2.gz OMDIXSSAONGCIZ-QFIPXVFZSA-N 2 1 383.967 3.869 20 0 GHADMP Clc1ccc(CC2([NH2+][C@H]3CCN(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391735 1037352187 /nfs/dbraw/zinc/35/21/87/1037352187.db2.gz OMDIXSSAONGCIZ-QFIPXVFZSA-N 2 1 383.967 3.869 20 0 GHADMP Fc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246397682 1037355975 /nfs/dbraw/zinc/35/59/75/1037355975.db2.gz GIVMOUXDTZPYCP-PQNGQFLHSA-N 3 1 381.539 3.819 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccc(Cl)cc3)CC[NH2+]CC1)C2 ZINC001246412499 1037367767 /nfs/dbraw/zinc/36/77/67/1037367767.db2.gz GNQJJJQZHMWDOF-MZADTFQBSA-N 3 1 375.988 3.857 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccc(Cl)cc3)CC[NH2+]CC1)C2 ZINC001246412499 1037367782 /nfs/dbraw/zinc/36/77/82/1037367782.db2.gz GNQJJJQZHMWDOF-MZADTFQBSA-N 2 1 375.988 3.857 20 0 GHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001246420807 1037377732 /nfs/dbraw/zinc/37/77/32/1037377732.db2.gz HGKKPUSZODCMLD-OAHLLOKOSA-N 2 1 386.458 3.994 20 0 GHADMP CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246448833 1037410401 /nfs/dbraw/zinc/41/04/01/1037410401.db2.gz LIXFRENLINEHCT-NSXLHWASSA-N 2 1 397.563 3.933 20 0 GHADMP CC[C@H]1CC([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)C[C@H](CC)[NH2+]1 ZINC001246466375 1037420934 /nfs/dbraw/zinc/42/09/34/1037420934.db2.gz QBFVPOQHSCMTNR-IRXDYDNUSA-N 2 1 381.499 3.934 20 0 GHADMP CC1(C)CC([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)CC(C)(C)O1 ZINC001246491494 1037436838 /nfs/dbraw/zinc/43/68/38/1037436838.db2.gz FDVHGUOXHWATFZ-LJQANCHMSA-N 2 1 376.541 3.553 20 0 GHADMP OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1 ZINC001246502533 1037443326 /nfs/dbraw/zinc/44/33/26/1037443326.db2.gz XBVCRQVGOHMBPG-ZWOKBUDYSA-N 2 1 379.331 3.980 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)CC[NH2+]1 ZINC001246500915 1037443982 /nfs/dbraw/zinc/44/39/82/1037443982.db2.gz QIJTUUXIDMRSEP-KSZLIROESA-N 2 1 397.357 3.954 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246503737 1037445326 /nfs/dbraw/zinc/44/53/26/1037445326.db2.gz LMKXBEBVIMAWBC-SCWSEQNSSA-N 2 1 376.903 3.946 20 0 GHADMP [NH3+]C12CC(N[C@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)(C1)C2 ZINC001246505204 1037445612 /nfs/dbraw/zinc/44/56/12/1037445612.db2.gz RIKLWEMEZPPYAY-FAHZPSCRSA-N 2 1 387.571 3.975 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246503734 1037445778 /nfs/dbraw/zinc/44/57/78/1037445778.db2.gz LMKXBEBVIMAWBC-LRQRDZAKSA-N 2 1 376.903 3.946 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1ccc(Br)cc1 ZINC001246503095 1037446750 /nfs/dbraw/zinc/44/67/50/1037446750.db2.gz XRCBUCPDYOXDGC-ULQDDVLXSA-N 2 1 397.357 3.810 20 0 GHADMP [NH3+][C@H]1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246537392 1037470998 /nfs/dbraw/zinc/47/09/98/1037470998.db2.gz WGFWZEGMQHJWMT-ZLOLNMDISA-N 2 1 393.550 3.732 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246551619 1037476579 /nfs/dbraw/zinc/47/65/79/1037476579.db2.gz LSCGYGWOKZGVTN-CKHPTIKVSA-N 2 1 378.944 3.897 20 0 GHADMP C[C@H]1C[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246567463 1037482732 /nfs/dbraw/zinc/48/27/32/1037482732.db2.gz KVRYRQOEDNFHGG-JKSUJKDBSA-N 2 1 380.374 3.725 20 0 GHADMP COc1cccc(C(=O)C2CC[NH+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246593636 1037493090 /nfs/dbraw/zinc/49/30/90/1037493090.db2.gz JDECLQSPNWCJRA-GOTSBHOMSA-N 2 1 392.543 3.953 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001246600944 1037497006 /nfs/dbraw/zinc/49/70/06/1037497006.db2.gz FGIUAXZRDVZJAA-QSFXBCCZSA-N 2 1 398.469 3.501 20 0 GHADMP [NH3+][C@]12C[C@H]1CN([C@H]1CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641864 1037523592 /nfs/dbraw/zinc/52/35/92/1037523592.db2.gz AAMAADSAZHNWIL-DQUFFZNGSA-N 2 1 387.571 3.784 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246664439 1037535844 /nfs/dbraw/zinc/53/58/44/1037535844.db2.gz XJRTXOFINAXXMK-LPHRJVMESA-N 2 1 379.548 3.672 20 0 GHADMP COc1cccc2c1CC[C@H]([N@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)C2 ZINC001246674480 1037540712 /nfs/dbraw/zinc/54/07/12/1037540712.db2.gz UIGURAWIZPPZPR-HWBMXIPRSA-N 2 1 376.544 3.806 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)CC1 ZINC001246684651 1037547211 /nfs/dbraw/zinc/54/72/11/1037547211.db2.gz MTQGPVJCWQJURY-QGQLOYOPSA-N 2 1 384.564 3.752 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246707523 1037561595 /nfs/dbraw/zinc/56/15/95/1037561595.db2.gz BHLYSBJAWULHOE-AIDNLNPPSA-N 2 1 387.568 3.641 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246710796 1037563338 /nfs/dbraw/zinc/56/33/38/1037563338.db2.gz RLTMTOHDFANAAK-QNWVGRARSA-N 2 1 399.579 3.786 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1ccc(F)cc1 ZINC001246714681 1037568398 /nfs/dbraw/zinc/56/83/98/1037568398.db2.gz MBXOFNIVFKJACG-ZDXQCDESSA-N 2 1 393.506 3.748 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1ccc(F)cc1 ZINC001246714681 1037568412 /nfs/dbraw/zinc/56/84/12/1037568412.db2.gz MBXOFNIVFKJACG-ZDXQCDESSA-N 2 1 393.506 3.748 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)c1 ZINC001246744131 1037586526 /nfs/dbraw/zinc/58/65/26/1037586526.db2.gz JNFKRLDIPWCGHF-GZGNHOFSSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)c1 ZINC001246744131 1037586536 /nfs/dbraw/zinc/58/65/36/1037586536.db2.gz JNFKRLDIPWCGHF-GZGNHOFSSA-N 2 1 389.543 3.917 20 0 GHADMP CCN(CC)C(=O)C[C@H]1CC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc21 ZINC001246751417 1037590082 /nfs/dbraw/zinc/59/00/82/1037590082.db2.gz GINQUKQRHZWRGU-SFTDATJTSA-N 2 1 397.607 3.908 20 0 GHADMP c1ccc(O[C@@H]2CO[C@@]3(C2)CCC[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246750952 1037591174 /nfs/dbraw/zinc/59/11/74/1037591174.db2.gz ZTIVIZJXTXIKQU-SXWKCWPCSA-N 2 1 385.552 3.539 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CCN([C@H]4CC[NH2+]C5(CCCCC5)C4)CC3)C2)cc1 ZINC001246753766 1037592495 /nfs/dbraw/zinc/59/24/95/1037592495.db2.gz CTLBMNYEMKUXAB-QHCPKHFHSA-N 2 1 397.607 3.808 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246755653 1037596537 /nfs/dbraw/zinc/59/65/37/1037596537.db2.gz QIARUZYNEUFGJE-XCJLJZCSSA-N 2 1 378.564 3.968 20 0 GHADMP c1cncc(OC[C@@H]2CCC[C@@]23C[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CCO3)c1 ZINC001246761626 1037603737 /nfs/dbraw/zinc/60/37/37/1037603737.db2.gz VVXYTYZPMORUDK-GBXCKJPGSA-N 2 1 399.579 3.644 20 0 GHADMP c1cncc(OC[C@@H]2CCC[C@@]23C[N@@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)c1 ZINC001246761548 1037604684 /nfs/dbraw/zinc/60/46/84/1037604684.db2.gz VCYSPDZGNULSHK-YZUZCNPQSA-N 2 1 399.579 3.786 20 0 GHADMP c1cncc(OC[C@@H]2CCC[C@@]23C[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)c1 ZINC001246761548 1037604695 /nfs/dbraw/zinc/60/46/95/1037604695.db2.gz VCYSPDZGNULSHK-YZUZCNPQSA-N 2 1 399.579 3.786 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246780746 1037620456 /nfs/dbraw/zinc/62/04/56/1037620456.db2.gz DFDZUNXLMZELKC-ZJSXRUAMSA-N 2 1 397.538 3.754 20 0 GHADMP O=C1CC2(CC[NH+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)Oc2ccccc21 ZINC001246795245 1037633437 /nfs/dbraw/zinc/63/34/37/1037633437.db2.gz DEDWEYFFIQBJFT-SFTDATJTSA-N 2 1 390.527 3.850 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246808172 1037641808 /nfs/dbraw/zinc/64/18/08/1037641808.db2.gz RLPLFYUUXMVLAD-NBGIEHNGSA-N 2 1 393.575 3.842 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246812659 1037644838 /nfs/dbraw/zinc/64/48/38/1037644838.db2.gz VPGYHHGSXPCFEF-XZOYJPPVSA-N 2 1 381.564 3.553 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246815707 1037647520 /nfs/dbraw/zinc/64/75/20/1037647520.db2.gz BIQBFMCXWIRXRE-ROUUACIJSA-N 2 1 380.374 3.738 20 0 GHADMP Clc1ccc2nc(N3CCC[N@H+]([C@@H]4CCC5(C[NH2+]C5)C4)CC3)sc2c1 ZINC001246826155 1037658267 /nfs/dbraw/zinc/65/82/67/1037658267.db2.gz XGCDFMSPVYOZCQ-OAHLLOKOSA-N 2 1 376.957 3.604 20 0 GHADMP C[C@@H]1CC([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C[C@@H](C)[NH2+]1 ZINC001246826867 1037661048 /nfs/dbraw/zinc/66/10/48/1037661048.db2.gz ZIPFHBDCNMEAEU-ZIAGYGMSSA-N 2 1 378.973 3.991 20 0 GHADMP CCC(CC)[N@@H+]([C@H]1CSC2(C[NH2+]C2)C1)C1CCN(Cc2ccccc2)CC1 ZINC001246846195 1037670638 /nfs/dbraw/zinc/67/06/38/1037670638.db2.gz QEXIDEINSMQWKA-JOCHJYFZSA-N 2 1 387.637 3.989 20 0 GHADMP Cc1cccc(N2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853303 1037678310 /nfs/dbraw/zinc/67/83/10/1037678310.db2.gz UUGGUPWBKWPICW-IFMALSPDSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853303 1037678331 /nfs/dbraw/zinc/67/83/31/1037678331.db2.gz UUGGUPWBKWPICW-IFMALSPDSA-N 2 1 382.527 3.843 20 0 GHADMP CCOC(=O)c1cc2cc(N3CC[NH+]([C@H]4CC[NH2+][C@H](C(C)C)C4)CC3)ccc2o1 ZINC001246882551 1037699070 /nfs/dbraw/zinc/69/90/70/1037699070.db2.gz JQRZNQWHIHMBMB-PMACEKPBSA-N 2 1 399.535 3.508 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([N@@H+]3CCCC4(CN(Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246935901 1037739741 /nfs/dbraw/zinc/73/97/41/1037739741.db2.gz CPJCGZWCEBSDEY-LOSJGSFVSA-N 2 1 389.587 3.948 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([N@H+]3CCCC4(CN(Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246935901 1037739759 /nfs/dbraw/zinc/73/97/59/1037739759.db2.gz CPJCGZWCEBSDEY-LOSJGSFVSA-N 2 1 389.587 3.948 20 0 GHADMP COc1ccc(CN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246952293 1037754884 /nfs/dbraw/zinc/75/48/84/1037754884.db2.gz KLUBHBINGYHUQV-YKSBVNFPSA-N 2 1 393.575 3.912 20 0 GHADMP CC1(C)CC([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC(C)(C)N1O ZINC001246957377 1037767131 /nfs/dbraw/zinc/76/71/31/1037767131.db2.gz YZKWWLMBBXOFIQ-UHFFFAOYSA-N 2 1 381.511 3.930 20 0 GHADMP CC1(C)CC([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC(C)(C)N1O ZINC001246957377 1037767161 /nfs/dbraw/zinc/76/71/61/1037767161.db2.gz YZKWWLMBBXOFIQ-UHFFFAOYSA-N 2 1 381.511 3.930 20 0 GHADMP CC1(C)C[C@@H](N(Cc2ccncc2)[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246957744 1037771301 /nfs/dbraw/zinc/77/13/01/1037771301.db2.gz CLZWLHOENAGINL-XZOQPEGZSA-N 2 1 378.564 3.689 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246964715 1037786654 /nfs/dbraw/zinc/78/66/54/1037786654.db2.gz MSZCSRNOXREELN-YLJYHZDGSA-N 2 1 376.516 3.810 20 0 GHADMP CN([C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001246969514 1037792157 /nfs/dbraw/zinc/79/21/57/1037792157.db2.gz PWDPERLEGMRKIQ-UBFVSLLYSA-N 2 1 377.576 3.946 20 0 GHADMP CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246975598 1037801112 /nfs/dbraw/zinc/80/11/12/1037801112.db2.gz MAFSCOOLXYOPKO-XZOQPEGZSA-N 2 1 385.596 3.664 20 0 GHADMP c1cnc(-c2ccc(N3CC[NH+]([C@H]4CC[NH2+]C5(CCCCC5)C4)CC3)cc2)nc1 ZINC001246988796 1037812300 /nfs/dbraw/zinc/81/23/00/1037812300.db2.gz YIWYKODXGPWVKP-QFIPXVFZSA-N 2 1 391.563 3.721 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+]([C@@H]2C[C@H]4C[NH2+]C[C@H]4C2)C3)cc1 ZINC001246996110 1037820462 /nfs/dbraw/zinc/82/04/62/1037820462.db2.gz QVVAICZQLIALQZ-UBRQYEGLSA-N 2 1 387.571 3.782 20 0 GHADMP CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)CCc2ccc(Cl)c(Cl)c2)CCC12C[NH2+]C2 ZINC001247010879 1037835457 /nfs/dbraw/zinc/83/54/57/1037835457.db2.gz WIXULBFOULHMPN-HOCLYGCPSA-N 2 1 399.362 3.789 20 0 GHADMP Fc1ccc2c(c1)nc(-c1cccc(C[NH+]3CCOCC3)c1)n2C1CC[NH2+]CC1 ZINC001247026413 1037847473 /nfs/dbraw/zinc/84/74/73/1037847473.db2.gz NLHMVXCGGFVNSD-UHFFFAOYSA-N 2 1 394.494 3.599 20 0 GHADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccccc4[C@@H]3c3ccccc3)cn2)CC1 ZINC001232364876 1038142151 /nfs/dbraw/zinc/14/21/51/1038142151.db2.gz BZHWYOMHAOFXDG-SANMLTNESA-N 2 1 398.554 3.981 20 0 GHADMP Cc1cccc(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1OC(C)C ZINC001232393498 1038178746 /nfs/dbraw/zinc/17/87/46/1038178746.db2.gz NCLMZNJVINRNIF-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1OC(C)C ZINC001232393498 1038178756 /nfs/dbraw/zinc/17/87/56/1038178756.db2.gz NCLMZNJVINRNIF-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1OC(C)C ZINC001232393498 1038178760 /nfs/dbraw/zinc/17/87/60/1038178760.db2.gz NCLMZNJVINRNIF-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1OC(C)C ZINC001232393498 1038178764 /nfs/dbraw/zinc/17/87/64/1038178764.db2.gz NCLMZNJVINRNIF-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1OC(C)C ZINC001232393498 1038178767 /nfs/dbraw/zinc/17/87/67/1038178767.db2.gz NCLMZNJVINRNIF-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc4c3CCCC4)CC[C@@H]21 ZINC001232635182 1038420595 /nfs/dbraw/zinc/42/05/95/1038420595.db2.gz DZVKJOCXSHVEPG-GPXNEJASSA-N 2 1 393.579 3.530 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4ncncc34)C[C@H]21 ZINC001232656257 1038444577 /nfs/dbraw/zinc/44/45/77/1038444577.db2.gz ZGKRQDKUCCKLTA-CDHQVMDDSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4ncncc34)C[C@H]21 ZINC001232656257 1038444582 /nfs/dbraw/zinc/44/45/82/1038444582.db2.gz ZGKRQDKUCCKLTA-CDHQVMDDSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4ncncc34)C[C@H]21 ZINC001232656257 1038444586 /nfs/dbraw/zinc/44/45/86/1038444586.db2.gz ZGKRQDKUCCKLTA-CDHQVMDDSA-N 2 1 381.549 3.704 20 0 GHADMP CCOc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1Cl ZINC001247904716 1038476368 /nfs/dbraw/zinc/47/63/68/1038476368.db2.gz HSLKGIPLPKPZFB-OAHLLOKOSA-N 2 1 390.915 3.720 20 0 GHADMP CCN(CC)c1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247905373 1038479373 /nfs/dbraw/zinc/47/93/73/1038479373.db2.gz NTVLXIOVBNGGGZ-GOSISDBHSA-N 2 1 383.540 3.514 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc1F ZINC001232702065 1038503630 /nfs/dbraw/zinc/50/36/30/1038503630.db2.gz NWZZLKMXDFVNFA-UHFFFAOYSA-N 2 1 393.462 3.791 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc4ncsc4c3)CC[C@@H]21 ZINC001232740043 1038527476 /nfs/dbraw/zinc/52/74/76/1038527476.db2.gz JVIRXJGEUXGADE-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CCCn1cnc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001232800821 1038563607 /nfs/dbraw/zinc/56/36/07/1038563607.db2.gz VKNXYQMQBQPNJS-UHFFFAOYSA-N 2 1 396.579 3.939 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1cncc(-c3ccccc3)c1)CC2 ZINC001232900534 1038698239 /nfs/dbraw/zinc/69/82/39/1038698239.db2.gz QDCGMMOGFBYWLN-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCC1)c1ccccc1 ZINC001252069357 1038841683 /nfs/dbraw/zinc/84/16/83/1038841683.db2.gz QBQNSHMMAKAAAT-CTNGQTDRSA-N 2 1 384.568 3.530 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CCN(Cc1cc(Cl)ccn1)CC2 ZINC001278654542 1038912385 /nfs/dbraw/zinc/91/23/85/1038912385.db2.gz PRCISYDKEAFLFT-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001278654542 1038912387 /nfs/dbraw/zinc/91/23/87/1038912387.db2.gz PRCISYDKEAFLFT-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001278654542 1038912390 /nfs/dbraw/zinc/91/23/90/1038912390.db2.gz PRCISYDKEAFLFT-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252751851 1039133467 /nfs/dbraw/zinc/13/34/67/1039133467.db2.gz WYVUULGOGRFLAQ-FQEVSTJZSA-N 2 1 397.563 3.666 20 0 GHADMP O[C@@]1(CNc2ccccc2C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252936314 1039274732 /nfs/dbraw/zinc/27/47/32/1039274732.db2.gz UVDVRDUMGCZVOP-XMMPIXPASA-N 2 1 379.548 3.721 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3ccccc3F)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950459 1039293934 /nfs/dbraw/zinc/29/39/34/1039293934.db2.gz AMZOZXNKDAFSMF-DEOSSOPVSA-N 2 1 382.523 3.765 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3ccccc3F)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950459 1039293943 /nfs/dbraw/zinc/29/39/43/1039293943.db2.gz AMZOZXNKDAFSMF-DEOSSOPVSA-N 2 1 382.523 3.765 20 0 GHADMP Brc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c[nH]1 ZINC001233436343 1039314575 /nfs/dbraw/zinc/31/45/75/1039314575.db2.gz IHAWMRBILXEZCH-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC001252995055 1039323438 /nfs/dbraw/zinc/32/34/38/1039323438.db2.gz XHFFILIOWDDADX-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP Clc1ccc2cc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)ccc2n1 ZINC001233443275 1039324593 /nfs/dbraw/zinc/32/45/93/1039324593.db2.gz YDYRNRUYOQMXAD-BGYRXZFFSA-N 2 1 378.907 3.847 20 0 GHADMP CCC(CC)[N@@H+](C[C@@H](O)C[NH+](CC)CC)C1CCN(Cc2ccccc2)CC1 ZINC001253188483 1039466756 /nfs/dbraw/zinc/46/67/56/1039466756.db2.gz ZNHRMEBVUULECX-DEOSSOPVSA-N 2 1 389.628 3.844 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)sc1C ZINC001233676217 1039529069 /nfs/dbraw/zinc/52/90/69/1039529069.db2.gz YOQBYYGTEPQAJO-CEMLEFRQSA-N 2 1 392.609 3.845 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001253830819 1039839315 /nfs/dbraw/zinc/83/93/15/1039839315.db2.gz RGAKBWKMWWCZES-ILBGXUMGSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001253830819 1039839341 /nfs/dbraw/zinc/83/93/41/1039839341.db2.gz RGAKBWKMWWCZES-ILBGXUMGSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001253830819 1039839369 /nfs/dbraw/zinc/83/93/69/1039839369.db2.gz RGAKBWKMWWCZES-ILBGXUMGSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001253830819 1039839398 /nfs/dbraw/zinc/83/93/98/1039839398.db2.gz RGAKBWKMWWCZES-ILBGXUMGSA-N 2 1 394.559 3.723 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001462406942 1070231954 /nfs/dbraw/zinc/23/19/54/1070231954.db2.gz DHYLYXHARYGJJR-ICSRJNTNSA-N 2 1 397.604 3.645 20 0 GHADMP CC[N@@H+](CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC001254029294 1039963359 /nfs/dbraw/zinc/96/33/59/1039963359.db2.gz CLQNWJKYKWBWKE-OAQYLSRUSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccccc1[C@H]1CCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254038415 1039968626 /nfs/dbraw/zinc/96/86/26/1039968626.db2.gz HGZWVCUGJYGOGR-JOCHJYFZSA-N 2 1 380.532 3.859 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CC1 ZINC001254511504 1040290293 /nfs/dbraw/zinc/29/02/93/1040290293.db2.gz BEUCUUFLZLGBMK-IBGZPJMESA-N 2 1 395.385 3.862 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)o1 ZINC001235036820 1040529475 /nfs/dbraw/zinc/52/94/75/1040529475.db2.gz NUEFVZLTOUXFCX-AUUYWEPGSA-N 2 1 380.410 3.776 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254797579 1040559791 /nfs/dbraw/zinc/55/97/91/1040559791.db2.gz AOVNQPQBRBYSIB-KDURUIRLSA-N 2 1 391.600 3.830 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254797579 1040559807 /nfs/dbraw/zinc/55/98/07/1040559807.db2.gz AOVNQPQBRBYSIB-KDURUIRLSA-N 2 1 391.600 3.830 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254797579 1040559824 /nfs/dbraw/zinc/55/98/24/1040559824.db2.gz AOVNQPQBRBYSIB-KDURUIRLSA-N 2 1 391.600 3.830 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001235088727 1040577849 /nfs/dbraw/zinc/57/78/49/1040577849.db2.gz OOUYZLGGYRUNNU-OAQYLSRUSA-N 2 1 382.458 3.846 20 0 GHADMP CCCOc1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1F ZINC001235092211 1040581317 /nfs/dbraw/zinc/58/13/17/1040581317.db2.gz HUFNCROFAYBELO-UHFFFAOYSA-N 2 1 385.321 3.953 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC(N[C@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254834972 1040584350 /nfs/dbraw/zinc/58/43/50/1040584350.db2.gz CLBSKTQDSKCJRR-FQEVSTJZSA-N 2 1 381.486 3.744 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]([C@H]3CC4CCN(CC4)C3)C2)CC1 ZINC001254853370 1040596146 /nfs/dbraw/zinc/59/61/46/1040596146.db2.gz OBIITFVNMBFNGN-IBGZPJMESA-N 2 1 377.573 3.584 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001254879488 1040627811 /nfs/dbraw/zinc/62/78/11/1040627811.db2.gz KZEHIUCKQVGKTD-FQUBMZHMSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001254879488 1040627828 /nfs/dbraw/zinc/62/78/28/1040627828.db2.gz KZEHIUCKQVGKTD-FQUBMZHMSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001254879488 1040627833 /nfs/dbraw/zinc/62/78/33/1040627833.db2.gz KZEHIUCKQVGKTD-FQUBMZHMSA-N 2 1 377.573 3.584 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC001235152584 1040645335 /nfs/dbraw/zinc/64/53/35/1040645335.db2.gz HICCZJHVOGTVNM-GOSISDBHSA-N 2 1 397.357 3.820 20 0 GHADMP Clc1ccc(-c2ccccc2C[N@@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235200646 1040687491 /nfs/dbraw/zinc/68/74/91/1040687491.db2.gz ODVMEYBFFYHAFR-QFIPXVFZSA-N 2 1 386.923 3.588 20 0 GHADMP Clc1ccc(-c2ccccc2C[N@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235200646 1040687502 /nfs/dbraw/zinc/68/75/02/1040687502.db2.gz ODVMEYBFFYHAFR-QFIPXVFZSA-N 2 1 386.923 3.588 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254987739 1040709487 /nfs/dbraw/zinc/70/94/87/1040709487.db2.gz URCMLVJZVKBVTQ-IHPCNDPISA-N 2 1 379.589 3.971 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C2Cc3ccccc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255019159 1040733222 /nfs/dbraw/zinc/73/32/22/1040733222.db2.gz UHECETWDFGBIQV-HZCBDIJESA-N 2 1 378.516 3.713 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(Cl)c(C)c1)C2 ZINC001235320809 1040790945 /nfs/dbraw/zinc/79/09/45/1040790945.db2.gz MFYKDNXONOTLMF-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc3occc31)C2 ZINC001235324001 1040794811 /nfs/dbraw/zinc/79/48/11/1040794811.db2.gz CTZTZHVTLHWTJX-NZQKXSOJSA-N 2 1 382.504 3.578 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3CN([C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112306 1040796707 /nfs/dbraw/zinc/79/67/07/1040796707.db2.gz KMWMOWRDEGLVPK-DSNGMDLFSA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3CN([C@@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112306 1040796725 /nfs/dbraw/zinc/79/67/25/1040796725.db2.gz KMWMOWRDEGLVPK-DSNGMDLFSA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3CN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112306 1040796745 /nfs/dbraw/zinc/79/67/45/1040796745.db2.gz KMWMOWRDEGLVPK-DSNGMDLFSA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255112306 1040796756 /nfs/dbraw/zinc/79/67/56/1040796756.db2.gz KMWMOWRDEGLVPK-DSNGMDLFSA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255112306 1040796773 /nfs/dbraw/zinc/79/67/73/1040796773.db2.gz KMWMOWRDEGLVPK-DSNGMDLFSA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255112306 1040796781 /nfs/dbraw/zinc/79/67/81/1040796781.db2.gz KMWMOWRDEGLVPK-DSNGMDLFSA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255112306 1040796795 /nfs/dbraw/zinc/79/67/95/1040796795.db2.gz KMWMOWRDEGLVPK-DSNGMDLFSA-N 2 1 375.560 3.633 20 0 GHADMP Fc1ccc(-c2nn([C@H]3CC[N@@H+](Cc4ccccc4)C3)c3c2CC[NH2+]CC3)cc1 ZINC001255115091 1040799545 /nfs/dbraw/zinc/79/95/45/1040799545.db2.gz TWIRXFOCACMFTN-NRFANRHFSA-N 2 1 390.506 3.824 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1)CC1CC1 ZINC001235338818 1040808478 /nfs/dbraw/zinc/80/84/78/1040808478.db2.gz ZHJZAVZZALYAEH-UHFFFAOYSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255125527 1040818279 /nfs/dbraw/zinc/81/82/79/1040818279.db2.gz WICNSYVOYRCGDX-YXOJAJARSA-N 2 1 385.552 3.827 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)ncn1 ZINC001255132100 1040827433 /nfs/dbraw/zinc/82/74/33/1040827433.db2.gz JFGRQDCEQTZECC-NUNAXRQHSA-N 2 1 391.563 3.539 20 0 GHADMP c1ccc(C2(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CCOCC2)cc1 ZINC001235364082 1040851477 /nfs/dbraw/zinc/85/14/77/1040851477.db2.gz KUTKANWNSLRLPS-AHWVRZQESA-N 2 1 390.571 3.988 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001255142400 1040852271 /nfs/dbraw/zinc/85/22/71/1040852271.db2.gz QJTCVAADZLYLNC-IZRNWXIFSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001255142400 1040852280 /nfs/dbraw/zinc/85/22/80/1040852280.db2.gz QJTCVAADZLYLNC-IZRNWXIFSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001255142400 1040852288 /nfs/dbraw/zinc/85/22/88/1040852288.db2.gz QJTCVAADZLYLNC-IZRNWXIFSA-N 2 1 397.563 3.637 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)CC1 ZINC001235364089 1040853062 /nfs/dbraw/zinc/85/30/62/1040853062.db2.gz KYLZIRRJZRROEI-CGCKEFBRSA-N 2 1 384.564 3.609 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255143577 1040853825 /nfs/dbraw/zinc/85/38/25/1040853825.db2.gz NLKKAXLILNIUKC-NAVOZUGXSA-N 2 1 381.564 3.659 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255143577 1040853846 /nfs/dbraw/zinc/85/38/46/1040853846.db2.gz NLKKAXLILNIUKC-NAVOZUGXSA-N 2 1 381.564 3.659 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255143577 1040853861 /nfs/dbraw/zinc/85/38/61/1040853861.db2.gz NLKKAXLILNIUKC-NAVOZUGXSA-N 2 1 381.564 3.659 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365366 1040857311 /nfs/dbraw/zinc/85/73/11/1040857311.db2.gz NYCBWAFWIRKCSK-SKBVVQJISA-N 2 1 389.587 3.762 20 0 GHADMP Brc1c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)ccc2ccccc21 ZINC001235366382 1040860340 /nfs/dbraw/zinc/86/03/40/1040860340.db2.gz DZMYJZPNOWVLMF-SQGPQFPESA-N 2 1 387.321 3.555 20 0 GHADMP Fc1cnc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255150058 1040867701 /nfs/dbraw/zinc/86/77/01/1040867701.db2.gz LEHDCNIVUGWIKE-WKCHPHFGSA-N 2 1 396.510 3.655 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1=O ZINC001255151126 1040871379 /nfs/dbraw/zinc/87/13/79/1040871379.db2.gz SRSIJQHBGKTPKS-JKHIJQBDSA-N 2 1 395.591 3.905 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ccn1 ZINC001255150719 1040873320 /nfs/dbraw/zinc/87/33/20/1040873320.db2.gz XYJYWWPEBCPMLW-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ccn1 ZINC001255150719 1040873338 /nfs/dbraw/zinc/87/33/38/1040873338.db2.gz XYJYWWPEBCPMLW-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ccn1 ZINC001255150719 1040873347 /nfs/dbraw/zinc/87/33/47/1040873347.db2.gz XYJYWWPEBCPMLW-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc(-c4ncccn4)cc2)CC3)cc1 ZINC001235371417 1040877169 /nfs/dbraw/zinc/87/71/69/1040877169.db2.gz QWPGJMAHNMLREH-UKILVPOCSA-N 2 1 384.527 3.897 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)cc2)c1 ZINC001235378778 1040895831 /nfs/dbraw/zinc/89/58/31/1040895831.db2.gz KBTBTLHXBMDDOA-TUACAJSNSA-N 2 1 377.532 3.716 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001255223885 1040915259 /nfs/dbraw/zinc/91/52/59/1040915259.db2.gz BXRUPODJCFJBJT-KLHBGFEVSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001255223885 1040915264 /nfs/dbraw/zinc/91/52/64/1040915264.db2.gz BXRUPODJCFJBJT-KLHBGFEVSA-N 2 1 397.563 3.637 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3cc(Br)ccc3n1)C2 ZINC001235401953 1040915710 /nfs/dbraw/zinc/91/57/10/1040915710.db2.gz IGHMZNXKNZWKAJ-ROUUACIJSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3cc(Br)ccc3n1)C2 ZINC001235401953 1040915714 /nfs/dbraw/zinc/91/57/14/1040915714.db2.gz IGHMZNXKNZWKAJ-ROUUACIJSA-N 2 1 378.289 3.521 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001255228511 1040917433 /nfs/dbraw/zinc/91/74/33/1040917433.db2.gz HUSGSERQVITZEW-GFXZNLHSSA-N 2 1 377.573 3.899 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)cc2)cc1 ZINC001235409339 1040919661 /nfs/dbraw/zinc/91/96/61/1040919661.db2.gz WLPZITYKDZHHSN-GGAORHGYSA-N 2 1 382.479 3.664 20 0 GHADMP c1ccc(-c2nc3n(c2C[N@H+]2CCC[C@H]([C@H]4CCC[NH2+]C4)C2)CCS3)cc1 ZINC001235421017 1040923846 /nfs/dbraw/zinc/92/38/46/1040923846.db2.gz AMVSQKPBHIURGB-OALUTQOASA-N 2 1 382.577 3.867 20 0 GHADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2nsnc21 ZINC001235429672 1040930847 /nfs/dbraw/zinc/93/08/47/1040930847.db2.gz CMPWWTJVCBJTSL-QWHCGFSZSA-N 2 1 395.370 3.665 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001255359412 1040961810 /nfs/dbraw/zinc/96/18/10/1040961810.db2.gz BMBACBPKYUQKBC-NHCUHLMSSA-N 2 1 399.579 3.880 20 0 GHADMP C[C@H](CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001255389888 1040978021 /nfs/dbraw/zinc/97/80/21/1040978021.db2.gz VUFZYTHANIYPFZ-QUCCMNQESA-N 2 1 375.557 3.934 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255390347 1040978479 /nfs/dbraw/zinc/97/84/79/1040978479.db2.gz BBQAKTFUHHVBSJ-NGSHPTGOSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255390347 1040978490 /nfs/dbraw/zinc/97/84/90/1040978490.db2.gz BBQAKTFUHHVBSJ-NGSHPTGOSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255390347 1040978495 /nfs/dbraw/zinc/97/84/95/1040978495.db2.gz BBQAKTFUHHVBSJ-NGSHPTGOSA-N 2 1 375.560 3.761 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255391440 1040979319 /nfs/dbraw/zinc/97/93/19/1040979319.db2.gz PWBGFYYYVRPYEQ-ZEQRLZLVSA-N 2 1 393.575 3.914 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255391542 1040979449 /nfs/dbraw/zinc/97/94/49/1040979449.db2.gz RIDGCVFFXZKTEA-HSZRJFAPSA-N 2 1 380.532 3.937 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]2c1ccccc1 ZINC001235542973 1040981333 /nfs/dbraw/zinc/98/13/33/1040981333.db2.gz BLJORADRDKDATM-RZFNWQHOSA-N 2 1 395.572 3.570 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)c1 ZINC001235547927 1040982413 /nfs/dbraw/zinc/98/24/13/1040982413.db2.gz RQVRFKTUSIVHLB-RPBOFIJWSA-N 2 1 391.559 3.855 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255397840 1040984215 /nfs/dbraw/zinc/98/42/15/1040984215.db2.gz QJZDDHWZVDDNJW-LRSLUSHPSA-N 2 1 399.579 3.886 20 0 GHADMP COC1CC[NH+](C2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)CC1 ZINC001255409122 1040996109 /nfs/dbraw/zinc/99/61/09/1040996109.db2.gz GHRASFZLCHQDJW-JOCHJYFZSA-N 2 1 385.596 3.616 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1=O ZINC001235635749 1041068476 /nfs/dbraw/zinc/06/84/76/1041068476.db2.gz YWZSGXSUILNYGR-DEOSSOPVSA-N 2 1 383.580 3.945 20 0 GHADMP CC(C)CN1c2ccccc2C2(CC[NH+](CC[C@H]3COC(C)(C)[NH2+]3)CC2)CC1=O ZINC001235644771 1041085187 /nfs/dbraw/zinc/08/51/87/1041085187.db2.gz PZLVQBMLKRKZCP-IBGZPJMESA-N 2 1 399.579 3.528 20 0 GHADMP c1nc(C[NH2+]C2CCCC2)c2n1CCC[N@H+](Cc1ccc3c(c1)CCCN3)C2 ZINC001235649353 1041093051 /nfs/dbraw/zinc/09/30/51/1041093051.db2.gz PKPKLTBZYRRTNN-UHFFFAOYSA-N 2 1 379.552 3.679 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235689437 1041160651 /nfs/dbraw/zinc/16/06/51/1041160651.db2.gz ZJRYLRANXKDJCE-JOCHJYFZSA-N 2 1 391.515 3.797 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255610896 1041167590 /nfs/dbraw/zinc/16/75/90/1041167590.db2.gz IDZFPQIGTCGCLJ-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255610896 1041167600 /nfs/dbraw/zinc/16/76/00/1041167600.db2.gz IDZFPQIGTCGCLJ-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255610896 1041167618 /nfs/dbraw/zinc/16/76/18/1041167618.db2.gz IDZFPQIGTCGCLJ-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)o1 ZINC001235699982 1041175728 /nfs/dbraw/zinc/17/57/28/1041175728.db2.gz WDDYIGRDJUWSSQ-UHFFFAOYSA-N 2 1 393.453 3.835 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255672708 1041204302 /nfs/dbraw/zinc/20/43/02/1041204302.db2.gz PMAQUMLOHBAAMT-UMQXSMKFSA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255672708 1041204320 /nfs/dbraw/zinc/20/43/20/1041204320.db2.gz PMAQUMLOHBAAMT-UMQXSMKFSA-N 2 1 381.568 3.630 20 0 GHADMP CC1(N2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)nc3)CC2)CC[NH2+]CC1 ZINC001235821890 1041338668 /nfs/dbraw/zinc/33/86/68/1041338668.db2.gz NIMRYFSBQIUAJD-UHFFFAOYSA-N 2 1 384.955 3.662 20 0 GHADMP O=C(C1CC[NH+](C2CCCCCC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001255890747 1041377988 /nfs/dbraw/zinc/37/79/88/1041377988.db2.gz IKAXGWRRZHUIJE-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961397 1041439805 /nfs/dbraw/zinc/43/98/05/1041439805.db2.gz DAKKNTGPHVQMJM-GGAORHGYSA-N 2 1 387.612 3.862 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001255961203 1041439826 /nfs/dbraw/zinc/43/98/26/1041439826.db2.gz VPGAXWGFMAXQMP-NQIIRXRSSA-N 2 1 377.598 3.797 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001255962704 1041443675 /nfs/dbraw/zinc/44/36/75/1041443675.db2.gz LHPROMXFYJNNQT-LJQANCHMSA-N 2 1 384.568 3.785 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001255962704 1041443686 /nfs/dbraw/zinc/44/36/86/1041443686.db2.gz LHPROMXFYJNNQT-LJQANCHMSA-N 2 1 384.568 3.785 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001255962938 1041444860 /nfs/dbraw/zinc/44/48/60/1041444860.db2.gz LTHRUDZIBCUIPL-NHCUHLMSSA-N 2 1 389.584 3.700 20 0 GHADMP COCCC[N@@H+](Cc1cc(OC(C)C)cc(OC(C)C)c1)C1CC[NH2+]CC1 ZINC001235940576 1041445421 /nfs/dbraw/zinc/44/54/21/1041445421.db2.gz UMTOXVWXVGIJIC-UHFFFAOYSA-N 2 1 378.557 3.852 20 0 GHADMP COCC[N@H+](Cc1cc2cc(Br)ccc2s1)C1CC[NH2+]CC1 ZINC001235945060 1041451581 /nfs/dbraw/zinc/45/15/81/1041451581.db2.gz RNABJABJOXWQIU-UHFFFAOYSA-N 2 1 383.355 3.864 20 0 GHADMP COCC[N@@H+](Cc1cc2cc(Br)ccc2s1)C1CC[NH2+]CC1 ZINC001235945060 1041451595 /nfs/dbraw/zinc/45/15/95/1041451595.db2.gz RNABJABJOXWQIU-UHFFFAOYSA-N 2 1 383.355 3.864 20 0 GHADMP c1ccc(C2(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CCOCC2)cc1 ZINC001235972814 1041476933 /nfs/dbraw/zinc/47/69/33/1041476933.db2.gz CCUUOKRXLMIZKU-UHFFFAOYSA-N 2 1 376.544 3.872 20 0 GHADMP O=C(c1ccccc1)N1CCC(C2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC001256077096 1041511424 /nfs/dbraw/zinc/51/14/24/1041511424.db2.gz LYWMKVZCANXMHR-UHFFFAOYSA-N 2 1 395.591 3.878 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2cc(C)c(-c3ccc(F)cc3)c(C)c2)CC1 ZINC001236066912 1041519595 /nfs/dbraw/zinc/51/95/95/1041519595.db2.gz PWHKUSNBPCLFNC-JOCHJYFZSA-N 2 1 384.495 3.822 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC001236088622 1041527600 /nfs/dbraw/zinc/52/76/00/1041527600.db2.gz GSZJYNWXIMRPRS-UHFFFAOYSA-N 2 1 390.325 3.616 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001236088622 1041527616 /nfs/dbraw/zinc/52/76/16/1041527616.db2.gz GSZJYNWXIMRPRS-UHFFFAOYSA-N 2 1 390.325 3.616 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)Cc3cccc(OC)c3)CC2)cc1 ZINC001256153619 1041589642 /nfs/dbraw/zinc/58/96/42/1041589642.db2.gz JNIKIJDHNIZGCG-IBGZPJMESA-N 2 1 382.548 3.932 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(OC(=O)c3cccs3)c(OC)c2)CC1 ZINC001236212572 1041624046 /nfs/dbraw/zinc/62/40/46/1041624046.db2.gz HNZDNJPZMVQEML-UHFFFAOYSA-N 2 1 388.533 3.938 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)c(I)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224096 1041629944 /nfs/dbraw/zinc/62/99/44/1041629944.db2.gz RKHZVRPRWADQIQ-HAQNSBGRSA-N 2 1 378.685 3.646 20 0 GHADMP C[NH+]1CCC([NH+]2CCC(c3nc4ccc(-c5ccsc5)cn4n3)CC2)CC1 ZINC001256208128 1041649224 /nfs/dbraw/zinc/64/92/24/1041649224.db2.gz XJPHNWMEAKDJCM-UHFFFAOYSA-N 2 1 381.549 3.731 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC001236295454 1041662063 /nfs/dbraw/zinc/66/20/63/1041662063.db2.gz QHWXOLKVVRCNTH-DZFGPLHGSA-N 2 1 376.516 3.749 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)s1 ZINC001236317485 1041668891 /nfs/dbraw/zinc/66/88/91/1041668891.db2.gz YCNRMXGEWLSWNQ-BETUJISGSA-N 2 1 384.471 3.599 20 0 GHADMP COCCCOc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1OC ZINC001236374938 1041687275 /nfs/dbraw/zinc/68/72/75/1041687275.db2.gz GRZUHCGYZRSZQA-HXUWFJFHSA-N 2 1 390.568 3.855 20 0 GHADMP [NH3+]Cc1ccc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cc1 ZINC001236376448 1041687795 /nfs/dbraw/zinc/68/77/95/1041687795.db2.gz JZNZQODIZMVJRE-UHFFFAOYSA-N 3 1 388.353 3.662 20 0 GHADMP [NH3+]Cc1ccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cc1 ZINC001236376448 1041687798 /nfs/dbraw/zinc/68/77/98/1041687798.db2.gz JZNZQODIZMVJRE-UHFFFAOYSA-N 3 1 388.353 3.662 20 0 GHADMP CCN1CCc2ccc(C[N@H+](Cc3ccc(OC)cc3)C3CC[NH2+]CC3)cc21 ZINC001236448900 1041716871 /nfs/dbraw/zinc/71/68/71/1041716871.db2.gz ZNNLOTZKWQKKLT-UHFFFAOYSA-N 2 1 379.548 3.832 20 0 GHADMP CCN1CCc2ccc(C[N@@H+](Cc3ccc(OC)cc3)C3CC[NH2+]CC3)cc21 ZINC001236448900 1041716874 /nfs/dbraw/zinc/71/68/74/1041716874.db2.gz ZNNLOTZKWQKKLT-UHFFFAOYSA-N 2 1 379.548 3.832 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1[nH]nc2c1cccc2Br)C1CC[NH2+]CC1 ZINC001236459199 1041722351 /nfs/dbraw/zinc/72/23/51/1041722351.db2.gz HOJOFOGOZKSMTQ-UHFFFAOYSA-N 2 1 379.346 3.926 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3scnc3c2)C2CC[NH2+]CC2)c1 ZINC001236464782 1041726362 /nfs/dbraw/zinc/72/63/62/1041726362.db2.gz KXZTXPOCVLITBQ-UHFFFAOYSA-N 2 1 395.528 3.837 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3scnc3c2)C2CC[NH2+]CC2)c1 ZINC001236464782 1041726367 /nfs/dbraw/zinc/72/63/67/1041726367.db2.gz KXZTXPOCVLITBQ-UHFFFAOYSA-N 2 1 395.528 3.837 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CC2CCC(F)(F)CC2)C2CC[NH2+]CC2)c1 ZINC001236465244 1041727100 /nfs/dbraw/zinc/72/71/00/1041727100.db2.gz QPVGXMBSDSFGEI-UHFFFAOYSA-N 2 1 380.479 3.853 20 0 GHADMP CCOCC[N@H+](Cc1ccc(F)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001236465782 1041728516 /nfs/dbraw/zinc/72/85/16/1041728516.db2.gz SLAOKAKQYDMBMO-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(F)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001236465782 1041728522 /nfs/dbraw/zinc/72/85/22/1041728522.db2.gz SLAOKAKQYDMBMO-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP Cc1cc(F)cc(C[N@H+](C[C@H]2COC3(CCCCC3)O2)C2CC[NH2+]CC2)c1 ZINC001236481549 1041734341 /nfs/dbraw/zinc/73/43/41/1041734341.db2.gz WWSZOIHHEGEPPQ-NRFANRHFSA-N 2 1 376.516 3.764 20 0 GHADMP Cc1cc(F)cc(C[N@@H+](C[C@H]2COC3(CCCCC3)O2)C2CC[NH2+]CC2)c1 ZINC001236481549 1041734345 /nfs/dbraw/zinc/73/43/45/1041734345.db2.gz WWSZOIHHEGEPPQ-NRFANRHFSA-N 2 1 376.516 3.764 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)c1 ZINC001236522438 1041752450 /nfs/dbraw/zinc/75/24/50/1041752450.db2.gz OYJCBKFKUBZNDR-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)c1 ZINC001236522438 1041752457 /nfs/dbraw/zinc/75/24/57/1041752457.db2.gz OYJCBKFKUBZNDR-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COc1nc(OC)c(C[N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236541486 1041756310 /nfs/dbraw/zinc/75/63/10/1041756310.db2.gz LMHGKYVGFWNCRE-WGSAOQKQSA-N 2 1 387.499 3.818 20 0 GHADMP COc1nc(OC)c(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236541486 1041756312 /nfs/dbraw/zinc/75/63/12/1041756312.db2.gz LMHGKYVGFWNCRE-WGSAOQKQSA-N 2 1 387.499 3.818 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236543452 1041757209 /nfs/dbraw/zinc/75/72/09/1041757209.db2.gz SQIQSLBWMTUEED-YSXIEMCBSA-N 2 1 388.552 3.747 20 0 GHADMP COc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)ccc1OC(=O)C(C)C ZINC001236550346 1041758228 /nfs/dbraw/zinc/75/82/28/1041758228.db2.gz DSDJQJKGQMFJKA-WGSAOQKQSA-N 2 1 376.541 3.985 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2[nH]nc3ccc(Br)cc32)CC2CC2)CC1 ZINC001236553567 1041759207 /nfs/dbraw/zinc/75/92/07/1041759207.db2.gz QPKZKKHPUJLYLO-SHTZXODSSA-N 2 1 377.330 3.807 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2n[nH]c3ccc(Br)cc32)CC2CC2)CC1 ZINC001236553567 1041759216 /nfs/dbraw/zinc/75/92/16/1041759216.db2.gz QPKZKKHPUJLYLO-SHTZXODSSA-N 2 1 377.330 3.807 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2n[nH]c3ccc(Br)cc32)CC2CC2)CC1 ZINC001236553567 1041759224 /nfs/dbraw/zinc/75/92/24/1041759224.db2.gz QPKZKKHPUJLYLO-SHTZXODSSA-N 2 1 377.330 3.807 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1ccc(-n2ccnn2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555727 1041760316 /nfs/dbraw/zinc/76/03/16/1041760316.db2.gz MYLRYLYPWMCRKU-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)CC1 ZINC001236622522 1041788416 /nfs/dbraw/zinc/78/84/16/1041788416.db2.gz PIAYSUVQWUGILK-NRFANRHFSA-N 2 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+]([C@H]2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)C2)CC1 ZINC001236622522 1041788425 /nfs/dbraw/zinc/78/84/25/1041788425.db2.gz PIAYSUVQWUGILK-NRFANRHFSA-N 2 1 399.966 3.916 20 0 GHADMP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001236675921 1041822210 /nfs/dbraw/zinc/82/22/10/1041822210.db2.gz NRNRUGCKMJTPBF-GGAORHGYSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001236675921 1041822214 /nfs/dbraw/zinc/82/22/14/1041822214.db2.gz NRNRUGCKMJTPBF-GGAORHGYSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cc2ccccc2cc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001236675921 1041822223 /nfs/dbraw/zinc/82/22/23/1041822223.db2.gz NRNRUGCKMJTPBF-GGAORHGYSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cc2ccccc2cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001236675921 1041822228 /nfs/dbraw/zinc/82/22/28/1041822228.db2.gz NRNRUGCKMJTPBF-GGAORHGYSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cccc(Br)c1C[N@@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001236682632 1041828175 /nfs/dbraw/zinc/82/81/75/1041828175.db2.gz VISLOXKTJDONJH-AWEZNQCLSA-N 2 1 377.282 3.814 20 0 GHADMP COc1cccc(Br)c1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001236682632 1041828182 /nfs/dbraw/zinc/82/81/82/1041828182.db2.gz VISLOXKTJDONJH-AWEZNQCLSA-N 2 1 377.282 3.814 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(CN3CCOCC3)c2)CC1 ZINC001236690259 1041833965 /nfs/dbraw/zinc/83/39/65/1041833965.db2.gz OIYRSJDAZNHIID-SOAUALDESA-N 2 1 393.575 3.791 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713927 1041850003 /nfs/dbraw/zinc/85/00/03/1041850003.db2.gz IYRAMXOZVAKPHH-YHBQERECSA-N 3 1 379.548 3.613 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(Br)c3)C[C@@H]2C1 ZINC001236714435 1041850167 /nfs/dbraw/zinc/85/01/67/1041850167.db2.gz YLYCFEAKNYKFTE-OLZOCXBDSA-N 2 1 377.248 3.851 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)c(Br)c3)C[C@@H]2C1 ZINC001236714435 1041850173 /nfs/dbraw/zinc/85/01/73/1041850173.db2.gz YLYCFEAKNYKFTE-OLZOCXBDSA-N 2 1 377.248 3.851 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)c(Br)c3)C[C@@H]2C1 ZINC001236714435 1041850177 /nfs/dbraw/zinc/85/01/77/1041850177.db2.gz YLYCFEAKNYKFTE-OLZOCXBDSA-N 2 1 377.248 3.851 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)c(Br)c3)C[C@@H]2C1 ZINC001236714435 1041850185 /nfs/dbraw/zinc/85/01/85/1041850185.db2.gz YLYCFEAKNYKFTE-OLZOCXBDSA-N 2 1 377.248 3.851 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cnn2ccc(Cl)nc12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236715010 1041851019 /nfs/dbraw/zinc/85/10/19/1041851019.db2.gz SNIWHVAJCHSFPB-IYARVYRRSA-N 2 1 399.926 3.663 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1O ZINC001236726112 1041859404 /nfs/dbraw/zinc/85/94/04/1041859404.db2.gz JJUOIPFWDVQTML-MXVIHJGJSA-N 2 1 382.504 3.759 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2cn(Cc3ccccc3)nn2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729100 1041861308 /nfs/dbraw/zinc/86/13/08/1041861308.db2.gz MJCYTKHVYYKVTL-HCGLCNNCSA-N 2 1 389.547 3.907 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1C ZINC001236767413 1041879721 /nfs/dbraw/zinc/87/97/21/1041879721.db2.gz MPMITYHIBJFRFZ-IYARVYRRSA-N 2 1 377.573 3.855 20 0 GHADMP CCOC(=O)COc1ccccc1C[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782148 1041889113 /nfs/dbraw/zinc/88/91/13/1041889113.db2.gz OTDLFBBEVSLILK-KESTWPANSA-N 2 1 376.541 3.889 20 0 GHADMP CCC[N@H+](Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1)C[C@H]1CC[NH2+]C1 ZINC001236835604 1041922636 /nfs/dbraw/zinc/92/26/36/1041922636.db2.gz NVEGPRKUKZTWIW-ZDUSSCGKSA-N 2 1 386.487 3.989 20 0 GHADMP C[N@H+](Cc1cccc(Br)c1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236886538 1041940392 /nfs/dbraw/zinc/94/03/92/1041940392.db2.gz AJVJVXGEGBHOCD-UHFFFAOYSA-N 2 1 388.353 3.833 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+](Cc3ccccc3)C3CCOCC3)c2)CC1 ZINC001236891000 1041942153 /nfs/dbraw/zinc/94/21/53/1041942153.db2.gz VHKWYJGTAKSRNS-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236961414 1041970502 /nfs/dbraw/zinc/97/05/02/1041970502.db2.gz GLRJAFRQIUEKOI-UHFFFAOYSA-N 2 1 397.538 3.997 20 0 GHADMP CC(C)(C)c1ccc(C(=O)C2CC[NH+](Cc3ccc4n3CC[NH2+]C4)CC2)cc1 ZINC001237014646 1041990769 /nfs/dbraw/zinc/99/07/69/1041990769.db2.gz FXRYYXBXRIMMBH-UHFFFAOYSA-N 2 1 379.548 3.984 20 0 GHADMP COc1cccc2c(CN3CCC[C@@]4(C3)COCC[N@H+](C(C)C)C4)ccnc12 ZINC001237105897 1042039532 /nfs/dbraw/zinc/03/95/32/1042039532.db2.gz MBEMXXADLBBYTA-QHCPKHFHSA-N 2 1 383.536 3.566 20 0 GHADMP COc1cccc2c(C[N@@H+]3CCC[C@@]4(C3)COCC[NH+](C(C)C)C4)ccnc12 ZINC001237105897 1042039535 /nfs/dbraw/zinc/03/95/35/1042039535.db2.gz MBEMXXADLBBYTA-QHCPKHFHSA-N 2 1 383.536 3.566 20 0 GHADMP COc1cccc2c(C[N@H+]3CCC[C@@]4(C3)COCC[NH+](C(C)C)C4)ccnc12 ZINC001237105897 1042039536 /nfs/dbraw/zinc/03/95/36/1042039536.db2.gz MBEMXXADLBBYTA-QHCPKHFHSA-N 2 1 383.536 3.566 20 0 GHADMP COc1cccc2c(C[NH+]3CCC[C@@]4(C3)COCC[N@@H+](C(C)C)C4)ccnc12 ZINC001237105897 1042039539 /nfs/dbraw/zinc/03/95/39/1042039539.db2.gz MBEMXXADLBBYTA-QHCPKHFHSA-N 2 1 383.536 3.566 20 0 GHADMP COc1cccc2c(C[NH+]3CCC[C@@]4(C3)COCC[N@H+](C(C)C)C4)ccnc12 ZINC001237105897 1042039542 /nfs/dbraw/zinc/03/95/42/1042039542.db2.gz MBEMXXADLBBYTA-QHCPKHFHSA-N 2 1 383.536 3.566 20 0 GHADMP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3ccccc3N3CC[NH2+]CC3)CC[C@@H]1N2 ZINC001237250151 1042107218 /nfs/dbraw/zinc/10/72/18/1042107218.db2.gz SQFAKQHDVAHZMP-CTNGQTDRSA-N 2 1 382.939 3.533 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(O)cc(F)c1)CC2 ZINC001237278868 1042120385 /nfs/dbraw/zinc/12/03/85/1042120385.db2.gz MVYMAHFQIZELFP-OAQYLSRUSA-N 2 1 384.495 3.787 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](CC(C)(C)Sc2ccc(Cl)cc2)CCC12C[NH2+]C2 ZINC001237413853 1042197750 /nfs/dbraw/zinc/19/77/50/1042197750.db2.gz ZHUZTPRMHWFYLY-KRWDZBQOSA-N 2 1 396.984 3.685 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CCC12C[NH2+]C2 ZINC001237430738 1042205734 /nfs/dbraw/zinc/20/57/34/1042205734.db2.gz MSCSPOFWVPTINA-SFHVURJKSA-N 2 1 388.895 3.575 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237537279 1042255196 /nfs/dbraw/zinc/25/51/96/1042255196.db2.gz FTPSJDSVUFNQKB-HXUWFJFHSA-N 2 1 396.560 3.651 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237546250 1042258291 /nfs/dbraw/zinc/25/82/91/1042258291.db2.gz ILOHCZSQQRUKNX-RCZVLFRGSA-N 2 1 391.559 3.929 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237546250 1042258297 /nfs/dbraw/zinc/25/82/97/1042258297.db2.gz ILOHCZSQQRUKNX-RCZVLFRGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237546250 1042258304 /nfs/dbraw/zinc/25/83/04/1042258304.db2.gz ILOHCZSQQRUKNX-RCZVLFRGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(-c4ccccc4)n3)C2)C1 ZINC001237546250 1042258310 /nfs/dbraw/zinc/25/83/10/1042258310.db2.gz ILOHCZSQQRUKNX-RCZVLFRGSA-N 2 1 391.559 3.929 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cccc3c1OCC3)C2 ZINC001237749322 1042352394 /nfs/dbraw/zinc/35/23/94/1042352394.db2.gz WLYKWYPFWSAKMZ-UHFFFAOYSA-N 2 1 389.499 3.800 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cccc3c1OCC3)C2 ZINC001237749322 1042352398 /nfs/dbraw/zinc/35/23/98/1042352398.db2.gz WLYKWYPFWSAKMZ-UHFFFAOYSA-N 2 1 389.499 3.800 20 0 GHADMP CCO[C@H]1CC[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)[C@H]1Cc1cnn(C)c1 ZINC001237876976 1042405485 /nfs/dbraw/zinc/40/54/85/1042405485.db2.gz LCEVSZIYOPYLFR-GOTSBHOMSA-N 2 1 394.563 3.643 20 0 GHADMP Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)C(C(C)C)=[NH+]CC5)C[C@H]3O2)n1 ZINC001237878231 1042406237 /nfs/dbraw/zinc/40/62/37/1042406237.db2.gz OMOCLDGABPXOQH-SESVDKBCSA-N 2 1 394.519 3.731 20 0 GHADMP COc1ncc(C2CC2)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001238028109 1042465655 /nfs/dbraw/zinc/46/56/55/1042465655.db2.gz KLPMMJALBOMJJV-UHFFFAOYSA-N 2 1 392.547 3.851 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)cn1 ZINC001238356688 1042567905 /nfs/dbraw/zinc/56/79/05/1042567905.db2.gz KFGNKOMTQJNAQI-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(-c2ccccc2)ncc1Cl ZINC001238629844 1042663530 /nfs/dbraw/zinc/66/35/30/1042663530.db2.gz NABZTUWLECUOKY-FCHUYYIVSA-N 2 1 384.955 3.612 20 0 GHADMP CC1(C)OCC(C[N@H+]2CCC[C@@]3(CC[NH+](CCCC(F)(F)F)C3)C2)CO1 ZINC001278264797 1042680211 /nfs/dbraw/zinc/68/02/11/1042680211.db2.gz OLCVELJIASCLRV-SFHVURJKSA-N 2 1 378.479 3.516 20 0 GHADMP CC(C)c1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)n1 ZINC001238724263 1042703431 /nfs/dbraw/zinc/70/34/31/1042703431.db2.gz UCIZTLOACHFZCQ-UHFFFAOYSA-N 2 1 387.959 3.709 20 0 GHADMP COc1cc(C)c(C)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001238759136 1042716937 /nfs/dbraw/zinc/71/69/37/1042716937.db2.gz XZRSLTYGYOZPMV-UHFFFAOYSA-N 2 1 384.520 3.772 20 0 GHADMP COc1cc(C)c(C)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001238759136 1042716941 /nfs/dbraw/zinc/71/69/41/1042716941.db2.gz XZRSLTYGYOZPMV-UHFFFAOYSA-N 2 1 384.520 3.772 20 0 GHADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)OC1CCCCC1 ZINC001239318083 1042807891 /nfs/dbraw/zinc/80/78/91/1042807891.db2.gz KWZJXUSGNFUYAD-FQEVSTJZSA-N 2 1 385.552 3.547 20 0 GHADMP CC(C)c1cccc(C(C)C)c1NC(=S)N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001239444805 1042830739 /nfs/dbraw/zinc/83/07/39/1042830739.db2.gz AYBJBOCYPPUZAU-SFHVURJKSA-N 2 1 388.625 3.985 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256528872 1043458794 /nfs/dbraw/zinc/45/87/94/1043458794.db2.gz NDCTXUFYXQQNFG-MWIHYIROSA-N 2 1 377.532 3.649 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256528872 1043458798 /nfs/dbraw/zinc/45/87/98/1043458798.db2.gz NDCTXUFYXQQNFG-MWIHYIROSA-N 2 1 377.532 3.649 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC001256530838 1043463539 /nfs/dbraw/zinc/46/35/39/1043463539.db2.gz FCXBKIRSFPFEQR-NQIIRXRSSA-N 2 1 386.511 3.994 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC001256530838 1043463542 /nfs/dbraw/zinc/46/35/42/1043463542.db2.gz FCXBKIRSFPFEQR-NQIIRXRSSA-N 2 1 386.511 3.994 20 0 GHADMP C[C@@H]1C[C@H](NC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530923 1043465319 /nfs/dbraw/zinc/46/53/19/1043465319.db2.gz FWSPVBFHPIKZGG-HYBUGGRVSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548667 1043510634 /nfs/dbraw/zinc/51/06/34/1043510634.db2.gz BWUIIFBIAIAVMC-GIVPXCGWSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548667 1043510647 /nfs/dbraw/zinc/51/06/47/1043510647.db2.gz BWUIIFBIAIAVMC-GIVPXCGWSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548667 1043510653 /nfs/dbraw/zinc/51/06/53/1043510653.db2.gz BWUIIFBIAIAVMC-GIVPXCGWSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548667 1043510657 /nfs/dbraw/zinc/51/06/57/1043510657.db2.gz BWUIIFBIAIAVMC-GIVPXCGWSA-N 2 1 387.568 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1 ZINC001256569458 1043541838 /nfs/dbraw/zinc/54/18/38/1043541838.db2.gz GFRZECUKOUUEBR-XMSQKQJNSA-N 2 1 397.579 3.920 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001256573700 1043546959 /nfs/dbraw/zinc/54/69/59/1043546959.db2.gz QYIOZQNGAWNXJD-JOCHJYFZSA-N 2 1 389.609 3.939 20 0 GHADMP [NH3+]C1(Cc2ccc(Cl)cc2)CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256584726 1043553840 /nfs/dbraw/zinc/55/38/40/1043553840.db2.gz VBQAXPWZGNKIIY-UHFFFAOYSA-N 2 1 398.982 3.735 20 0 GHADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001256595696 1043561286 /nfs/dbraw/zinc/56/12/86/1043561286.db2.gz LASIHXAEDFTIDN-QUCCMNQESA-N 2 1 387.568 3.886 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC001256613773 1043577553 /nfs/dbraw/zinc/57/75/53/1043577553.db2.gz UXCLKIADVHJASX-PKTZIBPZSA-N 2 1 396.506 3.679 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC001256613773 1043577569 /nfs/dbraw/zinc/57/75/69/1043577569.db2.gz UXCLKIADVHJASX-PKTZIBPZSA-N 2 1 396.506 3.679 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)CC2)c1 ZINC001256624976 1043581376 /nfs/dbraw/zinc/58/13/76/1043581376.db2.gz ZEQZWYODJKFAQR-AIZNXBIQSA-N 2 1 397.607 3.998 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256687153 1043622325 /nfs/dbraw/zinc/62/23/25/1043622325.db2.gz OLJKYWPMDQPSSQ-VNXZQDSDSA-N 3 1 385.596 3.520 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256687153 1043622327 /nfs/dbraw/zinc/62/23/27/1043622327.db2.gz OLJKYWPMDQPSSQ-VNXZQDSDSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001256855791 1043705328 /nfs/dbraw/zinc/70/53/28/1043705328.db2.gz VYPFLUZMRWTPDM-ROUUACIJSA-N 2 1 388.556 3.533 20 0 GHADMP CC[C@H]1[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001256860255 1043705816 /nfs/dbraw/zinc/70/58/16/1043705816.db2.gz XZDCJNUOKFFXSE-VWNXMTODSA-N 2 1 396.579 3.696 20 0 GHADMP c1cc(N2CCC([N@@H+]3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)CC2)cc[nH+]1 ZINC001256862148 1043707442 /nfs/dbraw/zinc/70/74/42/1043707442.db2.gz JKQSBBWTTHKOOW-ZNDGRNAPSA-N 2 1 392.591 3.945 20 0 GHADMP c1cc(N2CCC([NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)CC2)cc[nH+]1 ZINC001256862148 1043707458 /nfs/dbraw/zinc/70/74/58/1043707458.db2.gz JKQSBBWTTHKOOW-ZNDGRNAPSA-N 3 1 392.591 3.945 20 0 GHADMP c1cc(N2CCC([NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)CC2)cc[nH+]1 ZINC001256862148 1043707468 /nfs/dbraw/zinc/70/74/68/1043707468.db2.gz JKQSBBWTTHKOOW-ZNDGRNAPSA-N 3 1 392.591 3.945 20 0 GHADMP c1cc(N2CCC([N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)CC2)cc[nH+]1 ZINC001256862148 1043707478 /nfs/dbraw/zinc/70/74/78/1043707478.db2.gz JKQSBBWTTHKOOW-ZNDGRNAPSA-N 3 1 392.591 3.945 20 0 GHADMP c1cc(N2CCC([N@@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)CC2)cc[nH+]1 ZINC001256862148 1043707487 /nfs/dbraw/zinc/70/74/87/1043707487.db2.gz JKQSBBWTTHKOOW-ZNDGRNAPSA-N 3 1 392.591 3.945 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904017 1043731644 /nfs/dbraw/zinc/73/16/44/1043731644.db2.gz BHOHMBWMNJPOGL-MOPGFXCFSA-N 2 1 379.552 3.595 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904017 1043731652 /nfs/dbraw/zinc/73/16/52/1043731652.db2.gz BHOHMBWMNJPOGL-MOPGFXCFSA-N 2 1 379.552 3.595 20 0 GHADMP CCCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292563471 1043789057 /nfs/dbraw/zinc/78/90/57/1043789057.db2.gz SEXIUSKWWSEAQA-FYYLOGMGSA-N 2 1 394.563 3.657 20 0 GHADMP CCCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292563471 1043789074 /nfs/dbraw/zinc/78/90/74/1043789074.db2.gz SEXIUSKWWSEAQA-FYYLOGMGSA-N 2 1 394.563 3.657 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001257480400 1044010812 /nfs/dbraw/zinc/01/08/12/1044010812.db2.gz WHWSGWIXZAIVLT-RBUKOAKNSA-N 2 1 376.589 3.896 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)[C@@H](C)C1 ZINC001257756829 1044145320 /nfs/dbraw/zinc/14/53/20/1044145320.db2.gz QLNSQLNYYBKXKL-HKUYNNGSSA-N 2 1 379.589 3.875 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001257761743 1044150201 /nfs/dbraw/zinc/15/02/01/1044150201.db2.gz LEGDYPZOGAJGNV-UHFFFAOYSA-N 2 1 377.573 3.725 20 0 GHADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)C1 ZINC001257988682 1044317247 /nfs/dbraw/zinc/31/72/47/1044317247.db2.gz MJGBGPJDIHEEDX-PWRODBHTSA-N 2 1 387.568 3.539 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258011415 1044336844 /nfs/dbraw/zinc/33/68/44/1044336844.db2.gz FFEJRGQFNIERTH-UHFFFAOYSA-N 2 1 388.600 3.842 20 0 GHADMP CC(C)C[NH+]1CCC(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001258012181 1044339350 /nfs/dbraw/zinc/33/93/50/1044339350.db2.gz QBNDDVITBLSYHZ-UHFFFAOYSA-N 2 1 391.625 3.535 20 0 GHADMP CCOC(=O)CCC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258114492 1044402662 /nfs/dbraw/zinc/40/26/62/1044402662.db2.gz WZWWZDXIRNOBLB-MISYRCLQSA-N 2 1 376.541 3.889 20 0 GHADMP CC[C@@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001258136925 1044422013 /nfs/dbraw/zinc/42/20/13/1044422013.db2.gz ZLUIVFADKSSDAK-FQEVSTJZSA-N 2 1 389.584 3.977 20 0 GHADMP CC(C)(C)OC(=O)NCCC1C[NH+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258147760 1044437746 /nfs/dbraw/zinc/43/77/46/1044437746.db2.gz RLSSMXHUCKETGY-UHFFFAOYSA-N 2 1 387.568 3.540 20 0 GHADMP CSCC[C@@H](C)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258228759 1044478941 /nfs/dbraw/zinc/47/89/41/1044478941.db2.gz KGLOSSFNRYZDJP-MRXNPFEDSA-N 2 1 385.618 3.582 20 0 GHADMP CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001258338934 1044515110 /nfs/dbraw/zinc/51/51/10/1044515110.db2.gz WWWRXZTZXNOEFV-YRPNKDGESA-N 2 1 378.630 3.977 20 0 GHADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001258338934 1044515118 /nfs/dbraw/zinc/51/51/18/1044515118.db2.gz WWWRXZTZXNOEFV-YRPNKDGESA-N 2 1 378.630 3.977 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001258338934 1044515134 /nfs/dbraw/zinc/51/51/34/1044515134.db2.gz WWWRXZTZXNOEFV-YRPNKDGESA-N 2 1 378.630 3.977 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001258338934 1044515152 /nfs/dbraw/zinc/51/51/52/1044515152.db2.gz WWWRXZTZXNOEFV-YRPNKDGESA-N 2 1 378.630 3.977 20 0 GHADMP c1ccc(N2CCC([N@H+]3C[C@H]4CCN(Cc5ccncc5)C[C@H]4C3)CC2)cc1 ZINC001258515924 1044592780 /nfs/dbraw/zinc/59/27/80/1044592780.db2.gz LOXIIEQGEOQIRK-YADHBBJMSA-N 2 1 376.548 3.504 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578062 1044652847 /nfs/dbraw/zinc/65/28/47/1044652847.db2.gz MCXDPPJEXOFYIS-NFBKMPQASA-N 2 1 379.548 3.665 20 0 GHADMP O=C(c1ccccc1)N1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001258643243 1044685364 /nfs/dbraw/zinc/68/53/64/1044685364.db2.gz IRYVEGFTYZGPHJ-UHFFFAOYSA-N 2 1 381.564 3.632 20 0 GHADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258672023 1044704800 /nfs/dbraw/zinc/70/48/00/1044704800.db2.gz UBTOQUALUOEFRE-YTFSRNRJSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCC[C@H](CCC)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258672023 1044704819 /nfs/dbraw/zinc/70/48/19/1044704819.db2.gz UBTOQUALUOEFRE-YTFSRNRJSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCC[C@H](CCC)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258672023 1044704836 /nfs/dbraw/zinc/70/48/36/1044704836.db2.gz UBTOQUALUOEFRE-YTFSRNRJSA-N 2 1 379.633 3.996 20 0 GHADMP CCC[NH+]1CCC([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001258773499 1044758713 /nfs/dbraw/zinc/75/87/13/1044758713.db2.gz IKDPSUYSPSKCFF-FQEVSTJZSA-N 2 1 396.501 3.633 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001258773499 1044758734 /nfs/dbraw/zinc/75/87/34/1044758734.db2.gz IKDPSUYSPSKCFF-FQEVSTJZSA-N 2 1 396.501 3.633 20 0 GHADMP CCC[NH+]1CCC([N@H+]2C[C@H]3Cc4c(c(-c5cccc(OC)c5)nn4C)[C@H]3C2)CC1 ZINC001258773999 1044759413 /nfs/dbraw/zinc/75/94/13/1044759413.db2.gz SWUWYPJNFRKHJS-NQIIRXRSSA-N 2 1 394.563 3.542 20 0 GHADMP CCn1ncc2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]2COCC1CC1 ZINC001258910102 1044863668 /nfs/dbraw/zinc/86/36/68/1044863668.db2.gz NRHUROFUFPQTMR-UYAOXDASSA-N 2 1 376.589 3.739 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001297605263 1045586282 /nfs/dbraw/zinc/58/62/82/1045586282.db2.gz HQGWDIKASGLITD-QUCCMNQESA-N 2 1 377.598 3.601 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001297605263 1045586290 /nfs/dbraw/zinc/58/62/90/1045586290.db2.gz HQGWDIKASGLITD-QUCCMNQESA-N 2 1 377.598 3.601 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001297605263 1045586301 /nfs/dbraw/zinc/58/63/01/1045586301.db2.gz HQGWDIKASGLITD-QUCCMNQESA-N 2 1 377.598 3.601 20 0 GHADMP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001298317908 1045772190 /nfs/dbraw/zinc/77/21/90/1045772190.db2.gz DTQVUTKBFYCJBQ-RTWAWAEBSA-N 2 1 397.607 3.662 20 0 GHADMP O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492836 1046006508 /nfs/dbraw/zinc/00/65/08/1046006508.db2.gz WIOHNCQMWAJOKO-OAQYLSRUSA-N 2 1 381.495 3.971 20 0 GHADMP CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000379921793 1046799704 /nfs/dbraw/zinc/79/97/04/1046799704.db2.gz FFUPDUVKSCWHAM-IBGZPJMESA-N 2 1 375.557 3.586 20 0 GHADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279309592 1047762603 /nfs/dbraw/zinc/76/26/03/1047762603.db2.gz ZZSSXDDJCDZHIW-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1cc(Br)ccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279322802 1047767643 /nfs/dbraw/zinc/76/76/43/1047767643.db2.gz QNDDLGMFVVSXFC-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c(Cl)c1 ZINC001279322656 1047767659 /nfs/dbraw/zinc/76/76/59/1047767659.db2.gz PAKAVGWYOYFAQB-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP Brc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)n1 ZINC001279382130 1047786873 /nfs/dbraw/zinc/78/68/73/1047786873.db2.gz XWOMPQJRZNNKTQ-MOPGFXCFSA-N 2 1 389.341 3.897 20 0 GHADMP Fc1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279426456 1047803517 /nfs/dbraw/zinc/80/35/17/1047803517.db2.gz YQSDBQMJSWQGHX-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cc(Cl)cnc3F)C[C@H]2CC1 ZINC001279453615 1047815357 /nfs/dbraw/zinc/81/53/57/1047815357.db2.gz XIXWDIHXEAGMBI-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cnc3F)C[C@H]2CC1 ZINC001279453615 1047815360 /nfs/dbraw/zinc/81/53/60/1047815360.db2.gz XIXWDIHXEAGMBI-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cnc3F)C[C@H]2CC1 ZINC001279453615 1047815368 /nfs/dbraw/zinc/81/53/68/1047815368.db2.gz XIXWDIHXEAGMBI-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cnc3F)C[C@H]2CC1 ZINC001279453615 1047815371 /nfs/dbraw/zinc/81/53/71/1047815371.db2.gz XIXWDIHXEAGMBI-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cnc3F)C[C@H]2CC1 ZINC001279453615 1047815374 /nfs/dbraw/zinc/81/53/74/1047815374.db2.gz XIXWDIHXEAGMBI-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279609925 1047865868 /nfs/dbraw/zinc/86/58/68/1047865868.db2.gz ZUSJZXYICCXBED-LJQANCHMSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279609925 1047865884 /nfs/dbraw/zinc/86/58/84/1047865884.db2.gz ZUSJZXYICCXBED-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279609925 1047865903 /nfs/dbraw/zinc/86/59/03/1047865903.db2.gz ZUSJZXYICCXBED-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCC[C@@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279609925 1047865922 /nfs/dbraw/zinc/86/59/22/1047865922.db2.gz ZUSJZXYICCXBED-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCC[C@@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279609925 1047865935 /nfs/dbraw/zinc/86/59/35/1047865935.db2.gz ZUSJZXYICCXBED-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP Cc1c(F)ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1Cl ZINC001279656411 1047898091 /nfs/dbraw/zinc/89/80/91/1047898091.db2.gz HFRWFWFZXIINNH-UHFFFAOYSA-N 2 1 376.907 3.999 20 0 GHADMP C[N@@H+]1CC[C@H]2CN(Cc3c(F)cc(Br)c(F)c3F)C[C@H]2CC1 ZINC001279693265 1047918816 /nfs/dbraw/zinc/91/88/16/1047918816.db2.gz FUYQSUCVZQTNJT-PHIMTYICSA-N 2 1 377.248 3.640 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1C(F)(F)F ZINC001288762205 1049221127 /nfs/dbraw/zinc/22/11/27/1049221127.db2.gz NMAXTCZMODEWAQ-SFHVURJKSA-N 2 1 389.437 3.918 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC001307469357 1049306817 /nfs/dbraw/zinc/30/68/17/1049306817.db2.gz AVTUHYLDTFSIGS-ISKFKSNPSA-N 2 1 397.607 3.837 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC001307514999 1049356767 /nfs/dbraw/zinc/35/67/67/1049356767.db2.gz YEHXURDJKDBQIE-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC001307514999 1049356775 /nfs/dbraw/zinc/35/67/75/1049356775.db2.gz YEHXURDJKDBQIE-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC001307514999 1049356785 /nfs/dbraw/zinc/35/67/85/1049356785.db2.gz YEHXURDJKDBQIE-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC001307514999 1049356801 /nfs/dbraw/zinc/35/68/01/1049356801.db2.gz YEHXURDJKDBQIE-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP CCc1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001307659670 1049483984 /nfs/dbraw/zinc/48/39/84/1049483984.db2.gz VFYJQAVKHLNYMJ-OALUTQOASA-N 2 1 379.548 3.934 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954637 1049720701 /nfs/dbraw/zinc/72/07/01/1049720701.db2.gz MTROVESAZXDPKM-FGZHOGPDSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954637 1049720706 /nfs/dbraw/zinc/72/07/06/1049720706.db2.gz MTROVESAZXDPKM-FGZHOGPDSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954637 1049720718 /nfs/dbraw/zinc/72/07/18/1049720718.db2.gz MTROVESAZXDPKM-FGZHOGPDSA-N 2 1 387.568 3.867 20 0 GHADMP C[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001290253161 1049778614 /nfs/dbraw/zinc/77/86/14/1049778614.db2.gz REHLZOSHNGFXHE-AQNXPRMDSA-N 2 1 379.548 3.745 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N1CCOCC1 ZINC001308194274 1049907817 /nfs/dbraw/zinc/90/78/17/1049907817.db2.gz ILMGNZUKQXWFPN-ZTCOLXNVSA-N 2 1 387.612 3.766 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N1CCOCC1 ZINC001308194274 1049907820 /nfs/dbraw/zinc/90/78/20/1049907820.db2.gz ILMGNZUKQXWFPN-ZTCOLXNVSA-N 2 1 387.612 3.766 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cnc12 ZINC001308299759 1049942492 /nfs/dbraw/zinc/94/24/92/1049942492.db2.gz IVRIEOPILGQMAH-UHFFFAOYSA-N 2 1 391.357 3.902 20 0 GHADMP Cc1cc(F)ncc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC001308352600 1049956238 /nfs/dbraw/zinc/95/62/38/1049956238.db2.gz HGRKMZHYUCEZPS-KDURUIRLSA-N 2 1 385.527 3.828 20 0 GHADMP CC[NH+]1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)(c2ccccc2)CC1 ZINC001290986423 1049964574 /nfs/dbraw/zinc/96/45/74/1049964574.db2.gz BNXIEWYJOPINLX-UHFFFAOYSA-N 2 1 389.503 3.568 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001308467335 1049983109 /nfs/dbraw/zinc/98/31/09/1049983109.db2.gz ZKIJEVHGDVXWQF-HSZRJFAPSA-N 2 1 384.612 3.715 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001308467335 1049983110 /nfs/dbraw/zinc/98/31/10/1049983110.db2.gz ZKIJEVHGDVXWQF-HSZRJFAPSA-N 2 1 384.612 3.715 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC001308865432 1050129643 /nfs/dbraw/zinc/12/96/43/1050129643.db2.gz VTPKXXHKTIKJBL-HXUWFJFHSA-N 2 1 396.531 3.874 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC001308865432 1050129645 /nfs/dbraw/zinc/12/96/45/1050129645.db2.gz VTPKXXHKTIKJBL-HXUWFJFHSA-N 2 1 396.531 3.874 20 0 GHADMP COc1cccc(COc2ccc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc2)c1 ZINC001308880741 1050137198 /nfs/dbraw/zinc/13/71/98/1050137198.db2.gz LNCWRMXHXAWPML-DEOSSOPVSA-N 2 1 398.547 3.817 20 0 GHADMP COc1cccc(COc2ccc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc2)c1 ZINC001308880741 1050137199 /nfs/dbraw/zinc/13/71/99/1050137199.db2.gz LNCWRMXHXAWPML-DEOSSOPVSA-N 2 1 398.547 3.817 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001329710693 1050890624 /nfs/dbraw/zinc/89/06/24/1050890624.db2.gz NXRSLILEIRWWCE-YKSBVNFPSA-N 2 1 379.548 3.984 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001329710693 1050890646 /nfs/dbraw/zinc/89/06/46/1050890646.db2.gz NXRSLILEIRWWCE-YKSBVNFPSA-N 2 1 379.548 3.984 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)cc1OC ZINC001332425058 1051518717 /nfs/dbraw/zinc/51/87/17/1051518717.db2.gz VFOOJNWXFPMWIO-UHFFFAOYSA-N 2 1 387.549 3.793 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1 ZINC001310982227 1051750909 /nfs/dbraw/zinc/75/09/09/1051750909.db2.gz WYWQZZFMISQQLO-UHFFFAOYSA-N 2 1 389.569 3.744 20 0 GHADMP CCCC[NH+](C)CCNC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC001310982227 1051750920 /nfs/dbraw/zinc/75/09/20/1051750920.db2.gz WYWQZZFMISQQLO-UHFFFAOYSA-N 2 1 389.569 3.744 20 0 GHADMP CCCC[NH+](C)CCNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001310982227 1051750936 /nfs/dbraw/zinc/75/09/36/1051750936.db2.gz WYWQZZFMISQQLO-UHFFFAOYSA-N 2 1 389.569 3.744 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487216 1052194689 /nfs/dbraw/zinc/19/46/89/1052194689.db2.gz OVSZXQHOVQJEFZ-SLFFLAALSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487216 1052194698 /nfs/dbraw/zinc/19/46/98/1052194698.db2.gz OVSZXQHOVQJEFZ-SLFFLAALSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487216 1052194708 /nfs/dbraw/zinc/19/47/08/1052194708.db2.gz OVSZXQHOVQJEFZ-SLFFLAALSA-N 2 1 392.975 3.649 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC001311498388 1052204191 /nfs/dbraw/zinc/20/41/91/1052204191.db2.gz UMBIBKPZVBDAQX-QFIPXVFZSA-N 2 1 388.600 3.837 20 0 GHADMP CC[N@@H+](CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001311671417 1052318027 /nfs/dbraw/zinc/31/80/27/1052318027.db2.gz YRBZNXIXTVGMPW-HSALFYBXSA-N 2 1 380.621 3.697 20 0 GHADMP CC[NH+](CCCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001311671417 1052318037 /nfs/dbraw/zinc/31/80/37/1052318037.db2.gz YRBZNXIXTVGMPW-HSALFYBXSA-N 2 1 380.621 3.697 20 0 GHADMP CC[NH+](CCCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001311671417 1052318051 /nfs/dbraw/zinc/31/80/51/1052318051.db2.gz YRBZNXIXTVGMPW-HSALFYBXSA-N 2 1 380.621 3.697 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001311795984 1052402695 /nfs/dbraw/zinc/40/26/95/1052402695.db2.gz NZSOJMRMTXDZNG-CVDCTZTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311795984 1052402700 /nfs/dbraw/zinc/40/27/00/1052402700.db2.gz NZSOJMRMTXDZNG-CVDCTZTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001311795984 1052402707 /nfs/dbraw/zinc/40/27/07/1052402707.db2.gz NZSOJMRMTXDZNG-CVDCTZTESA-N 2 1 398.595 3.530 20 0 GHADMP C[N@@H+](CCC(F)(F)F)[C@@H](CNc1nccnc1C[NH3+])c1ccc(Cl)cc1 ZINC001337157503 1052411918 /nfs/dbraw/zinc/41/19/18/1052411918.db2.gz KFRUDQCNVAKOHI-HNNXBMFYSA-N 2 1 387.837 3.626 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001311889244 1052459875 /nfs/dbraw/zinc/45/98/75/1052459875.db2.gz YCXFEAPVIVEJBS-UNMCSNQZSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001311889852 1052460833 /nfs/dbraw/zinc/46/08/33/1052460833.db2.gz KWNAMQCFYWJDPK-OAQYLSRUSA-N 2 1 380.621 3.698 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001311996304 1052520853 /nfs/dbraw/zinc/52/08/53/1052520853.db2.gz GAGIYLZFKBZLEB-SIKLNZKXSA-N 2 1 386.584 3.584 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001343228775 1053634311 /nfs/dbraw/zinc/63/43/11/1053634311.db2.gz YNUQBDYTADTGIX-OYDLWJJNSA-N 2 1 391.559 3.791 20 0 GHADMP Cc1c(C(=O)O[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC001344022499 1054195327 /nfs/dbraw/zinc/19/53/27/1054195327.db2.gz NCALCHRTAZKVSN-UYAOXDASSA-N 2 1 390.487 3.643 20 0 GHADMP Cc1c(C(=O)O[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC001344022499 1054195343 /nfs/dbraw/zinc/19/53/43/1054195343.db2.gz NCALCHRTAZKVSN-UYAOXDASSA-N 2 1 390.487 3.643 20 0 GHADMP Cc1c(C(=O)O[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC001344022488 1054195851 /nfs/dbraw/zinc/19/58/51/1054195851.db2.gz NCALCHRTAZKVSN-AZUAARDMSA-N 2 1 390.487 3.643 20 0 GHADMP Cc1c(C(=O)O[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC001344022488 1054195865 /nfs/dbraw/zinc/19/58/65/1054195865.db2.gz NCALCHRTAZKVSN-AZUAARDMSA-N 2 1 390.487 3.643 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318370951 1054594086 /nfs/dbraw/zinc/59/40/86/1054594086.db2.gz ZDZLKTFGPWAPBR-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318370951 1054594101 /nfs/dbraw/zinc/59/41/01/1054594101.db2.gz ZDZLKTFGPWAPBR-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001319183911 1055084762 /nfs/dbraw/zinc/08/47/62/1055084762.db2.gz OTCOJRBVXJKZTE-NRSPTQNISA-N 2 1 378.605 3.545 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001319627135 1055367148 /nfs/dbraw/zinc/36/71/48/1055367148.db2.gz PLOCYWOXXUVGFQ-WTGUMLROSA-N 2 1 379.589 3.876 20 0 GHADMP Cc1c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc2c[nH+]cn21 ZINC001320039902 1055615897 /nfs/dbraw/zinc/61/58/97/1055615897.db2.gz QYJPYNVSGSLMIL-WWPVKYPJSA-N 2 1 388.515 3.673 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)[NH+](C)C ZINC001324100868 1057070363 /nfs/dbraw/zinc/07/03/63/1057070363.db2.gz NALGAVJXPYBUBE-PMOQBDJRSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)[NH+](C)C ZINC001324100868 1057070368 /nfs/dbraw/zinc/07/03/68/1057070368.db2.gz NALGAVJXPYBUBE-PMOQBDJRSA-N 2 1 394.563 3.552 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481311 1057117570 /nfs/dbraw/zinc/11/75/70/1057117570.db2.gz APHCQOIRAYUXCJ-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481311 1057117574 /nfs/dbraw/zinc/11/75/74/1057117574.db2.gz APHCQOIRAYUXCJ-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481311 1057117578 /nfs/dbraw/zinc/11/75/78/1057117578.db2.gz APHCQOIRAYUXCJ-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481311 1057117583 /nfs/dbraw/zinc/11/75/83/1057117583.db2.gz APHCQOIRAYUXCJ-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)o1 ZINC000848895266 1057403587 /nfs/dbraw/zinc/40/35/87/1057403587.db2.gz LDLDFQCRWIPXHE-HJWRWDBZSA-N 2 1 382.504 3.988 20 0 GHADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC001326075178 1057409176 /nfs/dbraw/zinc/40/91/76/1057409176.db2.gz IBVIXOXEFLHJER-AWEZNQCLSA-N 2 1 378.314 3.511 20 0 GHADMP C[S@](=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC001326344534 1057462283 /nfs/dbraw/zinc/46/22/83/1057462283.db2.gz TZSPEPNVUPVUKC-MHZLTWQESA-N 2 1 382.573 3.912 20 0 GHADMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000849058896 1057570242 /nfs/dbraw/zinc/57/02/42/1057570242.db2.gz ZUTZLGXZOYUQFV-JOCHJYFZSA-N 2 1 379.552 3.619 20 0 GHADMP Cc1cc(C)cc(NC(=[NH2+])NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000849058896 1057570244 /nfs/dbraw/zinc/57/02/44/1057570244.db2.gz ZUTZLGXZOYUQFV-JOCHJYFZSA-N 2 1 379.552 3.619 20 0 GHADMP Cc1cc(C)cc(NC(=[NH2+])NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000849058896 1057570247 /nfs/dbraw/zinc/57/02/47/1057570247.db2.gz ZUTZLGXZOYUQFV-JOCHJYFZSA-N 2 1 379.552 3.619 20 0 GHADMP CC(C)c1ccc(/C=C/CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001356616164 1057574057 /nfs/dbraw/zinc/57/40/57/1057574057.db2.gz NTBXJCIWQLEEMU-SNAWJCMRSA-N 2 1 378.520 3.999 20 0 GHADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000849073078 1057581771 /nfs/dbraw/zinc/58/17/71/1057581771.db2.gz IHBPDBYWOGVZTO-IBGZPJMESA-N 2 1 394.567 3.744 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586853 1058540939 /nfs/dbraw/zinc/54/09/39/1058540939.db2.gz JWIKOFOLGHIKRX-XZOQPEGZSA-N 2 1 391.559 3.708 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccccc1Cl ZINC001338637711 1058702834 /nfs/dbraw/zinc/70/28/34/1058702834.db2.gz IUUXBXYNUZTSPU-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001338808066 1058799104 /nfs/dbraw/zinc/79/91/04/1058799104.db2.gz WFEFXHYVNNCXPV-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001338808066 1058799125 /nfs/dbraw/zinc/79/91/25/1058799125.db2.gz WFEFXHYVNNCXPV-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001444838446 1059393958 /nfs/dbraw/zinc/39/39/58/1059393958.db2.gz CNILVYOPJSHTCH-ZEQRLZLVSA-N 2 1 391.559 3.947 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001444838446 1059393979 /nfs/dbraw/zinc/39/39/79/1059393979.db2.gz CNILVYOPJSHTCH-ZEQRLZLVSA-N 2 1 391.559 3.947 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1[NH2+]CC12CCCC2 ZINC001339769196 1059455955 /nfs/dbraw/zinc/45/59/55/1059455955.db2.gz UYVOTJSWPFGBCA-GOSISDBHSA-N 2 1 396.362 3.606 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001447506778 1059973460 /nfs/dbraw/zinc/97/34/60/1059973460.db2.gz AJANZPSCPPMLEM-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001447506778 1059973462 /nfs/dbraw/zinc/97/34/62/1059973462.db2.gz AJANZPSCPPMLEM-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001447506778 1059973464 /nfs/dbraw/zinc/97/34/64/1059973464.db2.gz AJANZPSCPPMLEM-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001447506778 1059973469 /nfs/dbraw/zinc/97/34/69/1059973469.db2.gz AJANZPSCPPMLEM-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP Cc1sc(C[NH3+])nc1C(=O)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001340981554 1060306781 /nfs/dbraw/zinc/30/67/81/1060306781.db2.gz CBFSFNYGJRRARH-UHFFFAOYSA-N 2 1 398.454 3.777 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)n1 ZINC001341006629 1060327259 /nfs/dbraw/zinc/32/72/59/1060327259.db2.gz PUONEQWSIAVITP-IRLDBZIGSA-N 2 1 378.520 3.639 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001341006629 1060327280 /nfs/dbraw/zinc/32/72/80/1060327280.db2.gz PUONEQWSIAVITP-IRLDBZIGSA-N 2 1 378.520 3.639 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001341006629 1060327303 /nfs/dbraw/zinc/32/73/03/1060327303.db2.gz PUONEQWSIAVITP-IRLDBZIGSA-N 2 1 378.520 3.639 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC001449261983 1060363695 /nfs/dbraw/zinc/36/36/95/1060363695.db2.gz DLOUNASFFTXEQY-DFQSSKMNSA-N 2 1 379.976 3.960 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001479081346 1060934446 /nfs/dbraw/zinc/93/44/46/1060934446.db2.gz BZLLZCRFCMKAGW-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001479081346 1060934450 /nfs/dbraw/zinc/93/44/50/1060934450.db2.gz BZLLZCRFCMKAGW-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001479081346 1060934454 /nfs/dbraw/zinc/93/44/54/1060934454.db2.gz BZLLZCRFCMKAGW-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001342063733 1061036154 /nfs/dbraw/zinc/03/61/54/1061036154.db2.gz YMENUIDVUWAQEP-UYAOXDASSA-N 2 1 375.557 3.792 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001342063733 1061036173 /nfs/dbraw/zinc/03/61/73/1061036173.db2.gz YMENUIDVUWAQEP-UYAOXDASSA-N 2 1 375.557 3.792 20 0 GHADMP C[C@@H]([C@H](OC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccccc1)[NH+]1CCCC1 ZINC001346350405 1061526542 /nfs/dbraw/zinc/52/65/42/1061526542.db2.gz IBINWQAOJZXRHN-UWJYYQICSA-N 2 1 376.460 3.650 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001455006308 1061974131 /nfs/dbraw/zinc/97/41/31/1061974131.db2.gz BPPKELJVWWKZRS-RPWUZVMVSA-N 2 1 391.559 3.598 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006308 1061974141 /nfs/dbraw/zinc/97/41/41/1061974141.db2.gz BPPKELJVWWKZRS-RPWUZVMVSA-N 2 1 391.559 3.598 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006308 1061974142 /nfs/dbraw/zinc/97/41/42/1061974142.db2.gz BPPKELJVWWKZRS-RPWUZVMVSA-N 2 1 391.559 3.598 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccccc3N3CCC(C[NH+](C)C)CC3)C[N@H+]2C1 ZINC001346947078 1061999273 /nfs/dbraw/zinc/99/92/73/1061999273.db2.gz HILHFDYQOLFQHO-HMXCVIKNSA-N 2 1 398.595 3.524 20 0 GHADMP O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC001347098710 1062114989 /nfs/dbraw/zinc/11/49/89/1062114989.db2.gz RTHQCVWWXQVPRZ-INIZCTEOSA-N 2 1 382.483 3.827 20 0 GHADMP O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC001347098710 1062114998 /nfs/dbraw/zinc/11/49/98/1062114998.db2.gz RTHQCVWWXQVPRZ-INIZCTEOSA-N 2 1 382.483 3.827 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001435803232 1062937032 /nfs/dbraw/zinc/93/70/32/1062937032.db2.gz FJFDNEZAHXLHRE-GHTZIAJQSA-N 2 1 381.520 3.516 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001459871561 1064250494 /nfs/dbraw/zinc/25/04/94/1064250494.db2.gz CKWWWTUEXRAWJF-AVRDEDQJSA-N 2 1 399.966 3.594 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCc1ccc(Cl)cc1 ZINC001459871561 1064250497 /nfs/dbraw/zinc/25/04/97/1064250497.db2.gz CKWWWTUEXRAWJF-AVRDEDQJSA-N 2 1 399.966 3.594 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCc1ccc(Cl)cc1 ZINC001459871561 1064250504 /nfs/dbraw/zinc/25/05/04/1064250504.db2.gz CKWWWTUEXRAWJF-AVRDEDQJSA-N 2 1 399.966 3.594 20 0 GHADMP CC1(C)CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001459949363 1064296330 /nfs/dbraw/zinc/29/63/30/1064296330.db2.gz JNFNNPZSYBDGRW-LJQANCHMSA-N 2 1 377.960 3.715 20 0 GHADMP CC1(C)CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001459949363 1064296349 /nfs/dbraw/zinc/29/63/49/1064296349.db2.gz JNFNNPZSYBDGRW-LJQANCHMSA-N 2 1 377.960 3.715 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC001463717619 1064567785 /nfs/dbraw/zinc/56/77/85/1064567785.db2.gz QWGSIZVOLJRAAE-FYYLOGMGSA-N 2 1 385.596 3.771 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001200069978 1065122901 /nfs/dbraw/zinc/12/29/01/1065122901.db2.gz LWPQPXJLLQGQOY-JOCHJYFZSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001200069978 1065122912 /nfs/dbraw/zinc/12/29/12/1065122912.db2.gz LWPQPXJLLQGQOY-JOCHJYFZSA-N 2 1 396.535 3.715 20 0 GHADMP C[C@H](c1ccc(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cc1)[NH+]1CCOCC1 ZINC001464976123 1065301278 /nfs/dbraw/zinc/30/12/78/1065301278.db2.gz CJFURTGLPUTVFH-QGZVFWFLSA-N 2 1 392.503 3.936 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@@H](C)C1 ZINC001200459981 1066291221 /nfs/dbraw/zinc/29/12/21/1066291221.db2.gz RDZFTVSYIGJSCR-PKOBYXMFSA-N 2 1 394.629 3.668 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@@H](C)C1 ZINC001200459981 1066291235 /nfs/dbraw/zinc/29/12/35/1066291235.db2.gz RDZFTVSYIGJSCR-PKOBYXMFSA-N 2 1 394.629 3.668 20 0 GHADMP C[C@@H]1CCC[N@H+]1CCNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001466929724 1066396930 /nfs/dbraw/zinc/39/69/30/1066396930.db2.gz HEYJQUZCNOANMB-GOSISDBHSA-N 2 1 390.597 3.870 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001466961602 1066414539 /nfs/dbraw/zinc/41/45/39/1066414539.db2.gz AKAXENGALNVSQV-NRFANRHFSA-N 2 1 377.548 3.761 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001466961602 1066414543 /nfs/dbraw/zinc/41/45/43/1066414543.db2.gz AKAXENGALNVSQV-NRFANRHFSA-N 2 1 377.548 3.761 20 0 GHADMP C[C@H]([NH3+])c1nc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cs1 ZINC001357503150 1067133495 /nfs/dbraw/zinc/13/34/95/1067133495.db2.gz KOXFYUONCSJEIY-AWEZNQCLSA-N 2 1 392.956 3.554 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001467374060 1067260043 /nfs/dbraw/zinc/26/00/43/1067260043.db2.gz XYZASJDUBAADGF-OALUTQOASA-N 2 1 387.572 3.952 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001467569461 1067363534 /nfs/dbraw/zinc/36/35/34/1067363534.db2.gz AMSBKNJFRVMLSP-DENIHFKCSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001467569461 1067363546 /nfs/dbraw/zinc/36/35/46/1067363546.db2.gz AMSBKNJFRVMLSP-DENIHFKCSA-N 2 1 397.567 3.572 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001467575401 1067367026 /nfs/dbraw/zinc/36/70/26/1067367026.db2.gz IJAJAWYHOKGBFC-QFIPXVFZSA-N 2 1 398.595 3.749 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001467740648 1067445178 /nfs/dbraw/zinc/44/51/78/1067445178.db2.gz SWKRZVOZHVOBOX-HXUWFJFHSA-N 2 1 388.600 3.851 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001467740648 1067445184 /nfs/dbraw/zinc/44/51/84/1067445184.db2.gz SWKRZVOZHVOBOX-HXUWFJFHSA-N 2 1 388.600 3.851 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001467740648 1067445189 /nfs/dbraw/zinc/44/51/89/1067445189.db2.gz SWKRZVOZHVOBOX-HXUWFJFHSA-N 2 1 388.600 3.851 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c2ccccc2)CC1 ZINC001468175334 1067620586 /nfs/dbraw/zinc/62/05/86/1067620586.db2.gz NFNQRTZOAQRWHG-OFNKIYASSA-N 2 1 398.595 3.585 20 0 GHADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001468240641 1067647294 /nfs/dbraw/zinc/64/72/94/1067647294.db2.gz KLSQEVPMIDVMQF-YADHBBJMSA-N 2 1 383.580 3.620 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(Cc5ccncc5)CC4)[C@@H]3C2)cc1 ZINC000872025877 1067700735 /nfs/dbraw/zinc/70/07/35/1067700735.db2.gz VHHVZDNEMZROPV-ICDZXHCJSA-N 2 1 390.575 3.546 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001468631119 1067798319 /nfs/dbraw/zinc/79/83/19/1067798319.db2.gz PPPRRUJLHIQLPH-LEWJYISDSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001468631119 1067798326 /nfs/dbraw/zinc/79/83/26/1067798326.db2.gz PPPRRUJLHIQLPH-LEWJYISDSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001468631119 1067798335 /nfs/dbraw/zinc/79/83/35/1067798335.db2.gz PPPRRUJLHIQLPH-LEWJYISDSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCCC[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001468721220 1067847855 /nfs/dbraw/zinc/84/78/55/1067847855.db2.gz SJWUXLLCGMKUAM-ADHNFCLRSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001468721220 1067847860 /nfs/dbraw/zinc/84/78/60/1067847860.db2.gz SJWUXLLCGMKUAM-ADHNFCLRSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001468721220 1067847869 /nfs/dbraw/zinc/84/78/69/1067847869.db2.gz SJWUXLLCGMKUAM-ADHNFCLRSA-N 2 1 383.580 3.525 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001477865135 1078600815 /nfs/dbraw/zinc/60/08/15/1078600815.db2.gz HAWXOVBIPCXREN-BPBCIEFSSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001477865135 1078600822 /nfs/dbraw/zinc/60/08/22/1078600822.db2.gz HAWXOVBIPCXREN-BPBCIEFSSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001477865135 1078600826 /nfs/dbraw/zinc/60/08/26/1078600826.db2.gz HAWXOVBIPCXREN-BPBCIEFSSA-N 2 1 386.584 3.554 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001477867393 1078602673 /nfs/dbraw/zinc/60/26/73/1078602673.db2.gz PIPQMZUCBMPQID-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001468978410 1067942880 /nfs/dbraw/zinc/94/28/80/1067942880.db2.gz TVOOFBFDSFYECB-PKOBYXMFSA-N 2 1 392.613 3.647 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)c1 ZINC001469385353 1068135864 /nfs/dbraw/zinc/13/58/64/1068135864.db2.gz NAGAFEUKDVVPEN-WOJBJXKFSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001469385353 1068135869 /nfs/dbraw/zinc/13/58/69/1068135869.db2.gz NAGAFEUKDVVPEN-WOJBJXKFSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001469385353 1068135874 /nfs/dbraw/zinc/13/58/74/1068135874.db2.gz NAGAFEUKDVVPEN-WOJBJXKFSA-N 2 1 388.600 3.933 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001470094456 1068569178 /nfs/dbraw/zinc/56/91/78/1068569178.db2.gz KWQKOMVTYBYNAH-JTAQYXEDSA-N 2 1 394.563 3.766 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001460168360 1068827502 /nfs/dbraw/zinc/82/75/02/1068827502.db2.gz IFHBSUKINHNXTR-AXHZCLLHSA-N 2 1 391.559 3.994 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001460633880 1069043622 /nfs/dbraw/zinc/04/36/22/1069043622.db2.gz ANGUKZJTZAWMFN-PSWAGMNNSA-N 2 1 395.522 3.998 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001460633880 1069043631 /nfs/dbraw/zinc/04/36/31/1069043631.db2.gz ANGUKZJTZAWMFN-PSWAGMNNSA-N 2 1 395.522 3.998 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccc(F)cc3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001460633880 1069043639 /nfs/dbraw/zinc/04/36/39/1069043639.db2.gz ANGUKZJTZAWMFN-PSWAGMNNSA-N 2 1 395.522 3.998 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccc(F)cc3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001460633880 1069043650 /nfs/dbraw/zinc/04/36/50/1069043650.db2.gz ANGUKZJTZAWMFN-PSWAGMNNSA-N 2 1 395.522 3.998 20 0 GHADMP CCN(C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001478590802 1078927946 /nfs/dbraw/zinc/92/79/46/1078927946.db2.gz JRWLRUMDDBDQAD-WTIAFYNJSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001478590802 1078927948 /nfs/dbraw/zinc/92/79/48/1078927948.db2.gz JRWLRUMDDBDQAD-WTIAFYNJSA-N 2 1 398.595 3.870 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001478656394 1078947252 /nfs/dbraw/zinc/94/72/52/1078947252.db2.gz JFTMXQXGGCVDAF-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001478656394 1078947257 /nfs/dbraw/zinc/94/72/57/1078947257.db2.gz JFTMXQXGGCVDAF-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001478656394 1078947259 /nfs/dbraw/zinc/94/72/59/1078947259.db2.gz JFTMXQXGGCVDAF-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC001478984361 1079051199 /nfs/dbraw/zinc/05/11/99/1079051199.db2.gz MUKJVOQDENVOGA-SJBKTWHCSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001478984361 1079051205 /nfs/dbraw/zinc/05/12/05/1079051205.db2.gz MUKJVOQDENVOGA-SJBKTWHCSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001478984361 1079051210 /nfs/dbraw/zinc/05/12/10/1079051210.db2.gz MUKJVOQDENVOGA-SJBKTWHCSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)cc2)C1 ZINC001472489373 1073508493 /nfs/dbraw/zinc/50/84/93/1073508493.db2.gz VQJLJKVZRMCOHA-ICSRJNTNSA-N 2 1 378.520 3.779 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001479135456 1079117064 /nfs/dbraw/zinc/11/70/64/1079117064.db2.gz FPTJCVGXQDERBE-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC001479135456 1079117068 /nfs/dbraw/zinc/11/70/68/1079117068.db2.gz FPTJCVGXQDERBE-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC001479135456 1079117075 /nfs/dbraw/zinc/11/70/75/1079117075.db2.gz FPTJCVGXQDERBE-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC001473111494 1073785333 /nfs/dbraw/zinc/78/53/33/1073785333.db2.gz HHODWNTYLKIZCG-GOTSBHOMSA-N 2 1 379.548 3.503 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145180 1073807583 /nfs/dbraw/zinc/80/75/83/1073807583.db2.gz DWIZLLRBRZDAFR-LADGPHEKSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145180 1073807585 /nfs/dbraw/zinc/80/75/85/1073807585.db2.gz DWIZLLRBRZDAFR-LADGPHEKSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145180 1073807592 /nfs/dbraw/zinc/80/75/92/1073807592.db2.gz DWIZLLRBRZDAFR-LADGPHEKSA-N 2 1 393.575 3.880 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163457 1073821988 /nfs/dbraw/zinc/82/19/88/1073821988.db2.gz JZLLLBHRDZBFTJ-SHBJFUFKSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163457 1073821995 /nfs/dbraw/zinc/82/19/95/1073821995.db2.gz JZLLLBHRDZBFTJ-SHBJFUFKSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163457 1073822005 /nfs/dbraw/zinc/82/20/05/1073822005.db2.gz JZLLLBHRDZBFTJ-SHBJFUFKSA-N 2 1 391.559 3.644 20 0 GHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001473223228 1073871913 /nfs/dbraw/zinc/87/19/13/1073871913.db2.gz WZNHREFTUSALLD-CCDWMCETSA-N 2 1 396.575 3.848 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001473223228 1073871929 /nfs/dbraw/zinc/87/19/29/1073871929.db2.gz WZNHREFTUSALLD-CCDWMCETSA-N 2 1 396.575 3.848 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001473223228 1073871946 /nfs/dbraw/zinc/87/19/46/1073871946.db2.gz WZNHREFTUSALLD-CCDWMCETSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001473223228 1073871962 /nfs/dbraw/zinc/87/19/62/1073871962.db2.gz WZNHREFTUSALLD-CCDWMCETSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001473223228 1073871978 /nfs/dbraw/zinc/87/19/78/1073871978.db2.gz WZNHREFTUSALLD-CCDWMCETSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC001473231723 1073877014 /nfs/dbraw/zinc/87/70/14/1073877014.db2.gz RGRLVXYTBRBLNB-ZEQRLZLVSA-N 2 1 391.559 3.948 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC1CCCCC1 ZINC001473358512 1073935012 /nfs/dbraw/zinc/93/50/12/1073935012.db2.gz YDZJSUPXXWQODD-GZOXUSKESA-N 2 1 385.596 3.819 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC1CCCCC1 ZINC001473358512 1073935014 /nfs/dbraw/zinc/93/50/14/1073935014.db2.gz YDZJSUPXXWQODD-GZOXUSKESA-N 2 1 385.596 3.819 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc3ccc(C)s3)C1)O2 ZINC001473455916 1073973224 /nfs/dbraw/zinc/97/32/24/1073973224.db2.gz RMEOREGXODAGOQ-FXAWDEMLSA-N 2 1 386.561 3.823 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc3ccc(C)s3)C1)O2 ZINC001473455916 1073973228 /nfs/dbraw/zinc/97/32/28/1073973228.db2.gz RMEOREGXODAGOQ-FXAWDEMLSA-N 2 1 386.561 3.823 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CCO1 ZINC001473677189 1074080950 /nfs/dbraw/zinc/08/09/50/1074080950.db2.gz DLMLSWVZXMVXJD-IBGZPJMESA-N 2 1 388.474 3.907 20 0 GHADMP COCC[N@@H+](Cc1c(F)ccc(Br)c1F)CC1CC[NH+](C)CC1 ZINC001473702569 1074096868 /nfs/dbraw/zinc/09/68/68/1074096868.db2.gz JPYPWRIPKILKKP-UHFFFAOYSA-N 2 1 391.300 3.518 20 0 GHADMP COCC[N@H+](Cc1c(F)ccc(Br)c1F)CC1CC[NH+](C)CC1 ZINC001473702569 1074096887 /nfs/dbraw/zinc/09/68/87/1074096887.db2.gz JPYPWRIPKILKKP-UHFFFAOYSA-N 2 1 391.300 3.518 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)C1 ZINC001473989019 1074227011 /nfs/dbraw/zinc/22/70/11/1074227011.db2.gz OXTSAMFWJIYCDW-IBGZPJMESA-N 2 1 390.959 3.826 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001474501030 1074434342 /nfs/dbraw/zinc/43/43/42/1074434342.db2.gz NXVXYJYEELKWFN-YQQQUEKLSA-N 2 1 376.545 3.692 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001474501030 1074434349 /nfs/dbraw/zinc/43/43/49/1074434349.db2.gz NXVXYJYEELKWFN-YQQQUEKLSA-N 2 1 376.545 3.692 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001474642756 1074495820 /nfs/dbraw/zinc/49/58/20/1074495820.db2.gz SAVCFLIETRDXCP-QFIPXVFZSA-N 2 1 381.520 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001474642756 1074495830 /nfs/dbraw/zinc/49/58/30/1074495830.db2.gz SAVCFLIETRDXCP-QFIPXVFZSA-N 2 1 381.520 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001474642756 1074495837 /nfs/dbraw/zinc/49/58/37/1074495837.db2.gz SAVCFLIETRDXCP-QFIPXVFZSA-N 2 1 381.520 3.512 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906099 721694207 /nfs/dbraw/zinc/69/42/07/721694207.db2.gz LEGFFKIJXAESOB-OAQYLSRUSA-N 2 1 397.473 3.706 20 0 GHADMP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001165052992 722003512 /nfs/dbraw/zinc/00/35/12/722003512.db2.gz HLWAATYNKVYSLE-UHFFFAOYSA-N 2 1 381.499 3.929 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079453 837403573 /nfs/dbraw/zinc/40/35/73/837403573.db2.gz CFQORBBIPQEWRK-WIYYLYMNSA-N 2 1 395.547 3.552 20 0 GHADMP FC(F)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703104 837698488 /nfs/dbraw/zinc/69/84/88/837698488.db2.gz AISGBIGBUALAFC-AZUAARDMSA-N 2 1 380.479 3.898 20 0 GHADMP CC(C)[C@@H](C[NH2+]Cc1oc2ccccc2c1Br)N1CC[NH+](C)CC1 ZINC000655709359 837701138 /nfs/dbraw/zinc/70/11/38/837701138.db2.gz XQBOPLUPTFVQHP-MRXNPFEDSA-N 2 1 394.357 3.557 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655711964 837705883 /nfs/dbraw/zinc/70/58/83/837705883.db2.gz KSNATYMERKSIGS-UHFFFAOYSA-N 2 1 394.357 3.703 20 0 GHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655718584 837728687 /nfs/dbraw/zinc/72/86/87/837728687.db2.gz CDCJWOYPJQUDJQ-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655718584 837728696 /nfs/dbraw/zinc/72/86/96/837728696.db2.gz CDCJWOYPJQUDJQ-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP c1ccc(OCc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000655724857 837747520 /nfs/dbraw/zinc/74/75/20/837747520.db2.gz IPIKMOTZBHRTJL-DEOSSOPVSA-N 2 1 380.532 3.999 20 0 GHADMP COC(=O)c1c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000579712848 834421750 /nfs/dbraw/zinc/42/17/50/834421750.db2.gz YCQOSLFTXSWVHI-AEFFLSMTSA-N 2 1 389.499 3.858 20 0 GHADMP COC(=O)c1c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000579712848 834421752 /nfs/dbraw/zinc/42/17/52/834421752.db2.gz YCQOSLFTXSWVHI-AEFFLSMTSA-N 2 1 389.499 3.858 20 0 GHADMP Clc1ccc(C[C@H](NC2CC[NH+]([C@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655736183 837776436 /nfs/dbraw/zinc/77/64/36/837776436.db2.gz NPFFTHQLCATHIO-UNMCSNQZSA-N 2 1 385.939 3.862 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000650706413 834537401 /nfs/dbraw/zinc/53/74/01/834537401.db2.gz JUIABRFYLMRDPH-ROKPMTFOSA-N 2 1 390.531 3.744 20 0 GHADMP COCCOc1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000892380366 834547184 /nfs/dbraw/zinc/54/71/84/834547184.db2.gz NVCYHNFVKDMNTL-UHFFFAOYSA-N 2 1 387.524 3.695 20 0 GHADMP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)c(F)c1 ZINC000650717536 834645242 /nfs/dbraw/zinc/64/52/42/834645242.db2.gz DOFIFYMNHCZPNO-GOSISDBHSA-N 2 1 378.875 3.785 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(Br)c1 ZINC000655743247 837794553 /nfs/dbraw/zinc/79/45/53/837794553.db2.gz PQTXZIUCKAQYCH-CJNGLKHVSA-N 2 1 385.321 3.882 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[NH+]1CCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000375761916 834670233 /nfs/dbraw/zinc/67/02/33/834670233.db2.gz IPQAUCRXUPXEHE-LWSSLDFYSA-N 2 1 390.660 3.664 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3CC[C@H](C4CCC4)CC3)CC2)CC1 ZINC000616381540 834721409 /nfs/dbraw/zinc/72/14/09/834721409.db2.gz UFPQPENVMKEFBR-MEMLXQNLSA-N 2 1 375.601 3.612 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)c1 ZINC000141552855 834781645 /nfs/dbraw/zinc/78/16/45/834781645.db2.gz KXLSFMJPDGFDBP-UHFFFAOYSA-N 2 1 394.563 3.556 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000141552855 834781647 /nfs/dbraw/zinc/78/16/47/834781647.db2.gz KXLSFMJPDGFDBP-UHFFFAOYSA-N 2 1 394.563 3.556 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000141552855 834781657 /nfs/dbraw/zinc/78/16/57/834781657.db2.gz KXLSFMJPDGFDBP-UHFFFAOYSA-N 2 1 394.563 3.556 20 0 GHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cccc(Cl)c1 ZINC000583702590 834898491 /nfs/dbraw/zinc/89/84/91/834898491.db2.gz YFUBKVUVGIWMAN-UHFFFAOYSA-N 2 1 377.960 3.889 20 0 GHADMP C[C@@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000511264914 834902542 /nfs/dbraw/zinc/90/25/42/834902542.db2.gz IKFXXZGFYAYYFF-MOPGFXCFSA-N 2 1 384.568 3.600 20 0 GHADMP CCCN(CCc1cccs1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000655001353 834945109 /nfs/dbraw/zinc/94/51/09/834945109.db2.gz YIPJXDLZJDIJBK-UHFFFAOYSA-N 2 1 391.625 3.726 20 0 GHADMP c1ccc(CC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)Cc2ccccc2)cc1 ZINC000655755250 837827361 /nfs/dbraw/zinc/82/73/61/837827361.db2.gz UZEKDOZQQQJFKL-VWLOTQADSA-N 2 1 378.560 3.931 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511286078 834994365 /nfs/dbraw/zinc/99/43/65/834994365.db2.gz LCEHQYDZHMVXIE-KBNVZVJVSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000278427680 835058925 /nfs/dbraw/zinc/05/89/25/835058925.db2.gz CWGJHAXJSCJHDJ-UHFFFAOYSA-N 2 1 388.556 3.599 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457232 835022258 /nfs/dbraw/zinc/02/22/58/835022258.db2.gz NAEFCCKLDACJHG-DEOSSOPVSA-N 2 1 393.575 3.963 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274758074 835037350 /nfs/dbraw/zinc/03/73/50/835037350.db2.gz JHIVADQJINZHCX-GHTZIAJQSA-N 2 1 379.504 3.643 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)cc(OC)c(C)c3C)CC2)CC1 ZINC000655076733 835086344 /nfs/dbraw/zinc/08/63/44/835086344.db2.gz KFFMQWFGUQKHNO-UHFFFAOYSA-N 2 1 387.568 3.755 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511246151 835226923 /nfs/dbraw/zinc/22/69/23/835226923.db2.gz BSBAYSCANGALIA-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511246151 835226927 /nfs/dbraw/zinc/22/69/27/835226927.db2.gz BSBAYSCANGALIA-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246151 835226932 /nfs/dbraw/zinc/22/69/32/835226932.db2.gz BSBAYSCANGALIA-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246151 835226935 /nfs/dbraw/zinc/22/69/35/835226935.db2.gz BSBAYSCANGALIA-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000685632367 835240511 /nfs/dbraw/zinc/24/05/11/835240511.db2.gz HRBYCSKUGDFXAS-NRFANRHFSA-N 2 1 389.547 3.874 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665250 835285936 /nfs/dbraw/zinc/28/59/36/835285936.db2.gz YXFAIMWZGUHPDB-PZJWPPBQSA-N 2 1 390.535 3.615 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]([C@@H]4CCCC4(C)C)C3)CC2)CC1 ZINC000655160292 835316578 /nfs/dbraw/zinc/31/65/78/835316578.db2.gz OQKZLGLNTRJWGC-IRLDBZIGSA-N 2 1 389.628 3.858 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657814421 835373139 /nfs/dbraw/zinc/37/31/39/835373139.db2.gz AELNQXPPLQLIDC-NVXWUHKLSA-N 2 1 386.590 3.997 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC001167079100 835377784 /nfs/dbraw/zinc/37/77/84/835377784.db2.gz ZXKBHJCPDXKTQN-FQEVSTJZSA-N 2 1 377.960 3.889 20 0 GHADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000375596446 835399301 /nfs/dbraw/zinc/39/93/01/835399301.db2.gz IBIONALBIVDUAU-MBOZVWFJSA-N 2 1 383.502 3.767 20 0 GHADMP C[C@H](c1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000433358448 844049472 /nfs/dbraw/zinc/04/94/72/844049472.db2.gz BCVWEXLPSFYTHY-GCJKJVERSA-N 2 1 381.520 3.711 20 0 GHADMP CSc1cc(C)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000612047065 835433723 /nfs/dbraw/zinc/43/37/23/835433723.db2.gz KKONDAYOYDMQPW-UHFFFAOYSA-N 2 1 393.597 3.578 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1nc(C(F)(F)F)cs1 ZINC000658135279 835445321 /nfs/dbraw/zinc/44/53/21/835445321.db2.gz CWYDGHPLLDJZTP-SWLSCSKDSA-N 2 1 385.455 3.579 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nc(C(F)(F)F)cs1 ZINC000658135279 835445323 /nfs/dbraw/zinc/44/53/23/835445323.db2.gz CWYDGHPLLDJZTP-SWLSCSKDSA-N 2 1 385.455 3.579 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142670 835454041 /nfs/dbraw/zinc/45/40/41/835454041.db2.gz VZLBLFNSUGQRDQ-RBBKRZOGSA-N 2 1 378.516 3.789 20 0 GHADMP COCCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658138013 835461474 /nfs/dbraw/zinc/46/14/74/835461474.db2.gz LTJMDHSSQVOFTE-GOTSBHOMSA-N 2 1 386.511 3.650 20 0 GHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658140726 835467373 /nfs/dbraw/zinc/46/73/73/835467373.db2.gz QUYWMRLIFINCLD-GGAORHGYSA-N 2 1 380.532 3.874 20 0 GHADMP C[N@H+](CCN1CC[NH+](CCSc2ccccc2F)CC1)Cc1ccccc1 ZINC000521305342 835477782 /nfs/dbraw/zinc/47/77/82/835477782.db2.gz PIYCVYRZEWFQED-UHFFFAOYSA-N 2 1 387.568 3.667 20 0 GHADMP C[N@@H+](CCN1CC[NH+](CCSc2ccccc2F)CC1)Cc1ccccc1 ZINC000521305342 835477787 /nfs/dbraw/zinc/47/77/87/835477787.db2.gz PIYCVYRZEWFQED-UHFFFAOYSA-N 2 1 387.568 3.667 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000658207421 835509725 /nfs/dbraw/zinc/50/97/25/835509725.db2.gz PWYDKSUDFGCPTN-INIZCTEOSA-N 2 1 375.538 3.579 20 0 GHADMP CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1=O ZINC000658296872 835560957 /nfs/dbraw/zinc/56/09/57/835560957.db2.gz WMLIUDSZFCUABU-DXBBTUNJSA-N 2 1 383.580 3.666 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN([C@H](C)CCN1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2 ZINC000245711625 844083085 /nfs/dbraw/zinc/08/30/85/844083085.db2.gz ZUZINBPNENWDPE-VDLPQLTJSA-N 2 1 390.660 3.659 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(CC[C@@H](C)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CC2 ZINC000245711625 844083093 /nfs/dbraw/zinc/08/30/93/844083093.db2.gz ZUZINBPNENWDPE-VDLPQLTJSA-N 2 1 390.660 3.659 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(CC[C@@H](C)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2 ZINC000245711625 844083101 /nfs/dbraw/zinc/08/31/01/844083101.db2.gz ZUZINBPNENWDPE-VDLPQLTJSA-N 2 1 390.660 3.659 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000584360934 835909805 /nfs/dbraw/zinc/90/98/05/835909805.db2.gz WAFIUXQBKYVMNQ-RUZDIDTESA-N 2 1 397.607 3.710 20 0 GHADMP Fc1cccc(F)c1-c1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)co1 ZINC000154753992 835990525 /nfs/dbraw/zinc/99/05/25/835990525.db2.gz OQCDYKXFUGVGHR-UHFFFAOYSA-N 2 1 391.462 3.697 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000123797002 836007054 /nfs/dbraw/zinc/00/70/54/836007054.db2.gz BXJITSQSYKWAQK-UHFFFAOYSA-N 2 1 385.939 3.750 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000123797002 836007065 /nfs/dbraw/zinc/00/70/65/836007065.db2.gz BXJITSQSYKWAQK-UHFFFAOYSA-N 2 1 385.939 3.750 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@H]([C@@H](C)[NH3+])C4)cc3)nc12 ZINC000569926906 836172952 /nfs/dbraw/zinc/17/29/52/836172952.db2.gz HPQLUIWRKRRAKU-QUCCMNQESA-N 2 1 378.520 3.781 20 0 GHADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OCc1cccnc1 ZINC000647479309 836174984 /nfs/dbraw/zinc/17/49/84/836174984.db2.gz BUMXJULWJZNWIG-RTWAWAEBSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OCc1cccnc1 ZINC000647479309 836174990 /nfs/dbraw/zinc/17/49/90/836174990.db2.gz BUMXJULWJZNWIG-RTWAWAEBSA-N 2 1 381.520 3.633 20 0 GHADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000607805914 836301175 /nfs/dbraw/zinc/30/11/75/836301175.db2.gz XILQEBKRGWGWJE-AWEZNQCLSA-N 2 1 392.425 3.594 20 0 GHADMP C[N@@H+](CCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C1CCCCC1 ZINC000511352498 836308063 /nfs/dbraw/zinc/30/80/63/836308063.db2.gz GZSZJHGTWKIHCR-UHFFFAOYSA-N 2 1 389.609 3.620 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCCOc1ccc(C)cc1 ZINC000647490819 836566430 /nfs/dbraw/zinc/56/64/30/836566430.db2.gz SFSZOGIQPHMVHF-HXUWFJFHSA-N 2 1 384.520 3.632 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCCOc1ccc(C)cc1 ZINC000647490819 836566435 /nfs/dbraw/zinc/56/64/35/836566435.db2.gz SFSZOGIQPHMVHF-HXUWFJFHSA-N 2 1 384.520 3.632 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000174879498 836601697 /nfs/dbraw/zinc/60/16/97/836601697.db2.gz PMHXBIUCGCALFD-GOSISDBHSA-N 2 1 399.539 3.585 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175325613 836771855 /nfs/dbraw/zinc/77/18/55/836771855.db2.gz HHEGIHGCLFSTGB-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP CCCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c(C)c1 ZINC000175427959 836823571 /nfs/dbraw/zinc/82/35/71/836823571.db2.gz CBQSUSGFNDIVHP-LJQANCHMSA-N 2 1 390.572 3.664 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431689830 836840114 /nfs/dbraw/zinc/84/01/14/836840114.db2.gz ZTSUCZQXAPSXLK-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CC(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)C1 ZINC000431691283 836845890 /nfs/dbraw/zinc/84/58/90/836845890.db2.gz MAZIZMDTJWFAMO-RTBURBONSA-N 2 1 392.632 3.649 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000067222870 844207490 /nfs/dbraw/zinc/20/74/90/844207490.db2.gz YDNXLCCWSFICPZ-OAQYLSRUSA-N 2 1 389.547 3.815 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1 ZINC001167208100 836908731 /nfs/dbraw/zinc/90/87/31/836908731.db2.gz OLTGPPCBNXVMJM-CUYJMHBOSA-N 2 1 390.575 3.996 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000892597456 836913294 /nfs/dbraw/zinc/91/32/94/836913294.db2.gz SVCNGOHIHHPYGV-UHFFFAOYSA-N 2 1 383.584 3.508 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000647497584 837061806 /nfs/dbraw/zinc/06/18/06/837061806.db2.gz MZTCYNRZSGEURX-KNQAVFIVSA-N 2 1 375.520 3.553 20 0 GHADMP Cc1cc(OCCC[C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1Cl ZINC000510951837 844238006 /nfs/dbraw/zinc/23/80/06/844238006.db2.gz PYPOQUDBBZJRSO-SFHVURJKSA-N 2 1 381.992 3.812 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccncc1 ZINC000892616156 837139732 /nfs/dbraw/zinc/13/97/32/837139732.db2.gz XWDKEQLHVRHGBL-ZNDGOPKYSA-N 2 1 381.520 3.945 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(CCc3cccs3)CC2)cc1)C(C)C ZINC000110152353 844289051 /nfs/dbraw/zinc/28/90/51/844289051.db2.gz SFVREQMGYIXIQQ-UHFFFAOYSA-N 2 1 399.604 3.979 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1)C(C)C ZINC000110152353 844289060 /nfs/dbraw/zinc/28/90/60/844289060.db2.gz SFVREQMGYIXIQQ-UHFFFAOYSA-N 2 1 399.604 3.979 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1)C(C)C ZINC000110152353 844289069 /nfs/dbraw/zinc/28/90/69/844289069.db2.gz SFVREQMGYIXIQQ-UHFFFAOYSA-N 2 1 399.604 3.979 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415907600 838261535 /nfs/dbraw/zinc/26/15/35/838261535.db2.gz BMVYDSNSWDSMNY-GGAORHGYSA-N 2 1 392.547 3.924 20 0 GHADMP C[NH2+][C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1cccc(Cl)c1Cl ZINC000659309300 838276009 /nfs/dbraw/zinc/27/60/09/838276009.db2.gz JHXWENAPGLLJGA-QGZVFWFLSA-N 2 1 382.266 3.677 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000415939534 838292340 /nfs/dbraw/zinc/29/23/40/838292340.db2.gz YZRKLONBUNFTLY-FGZHOGPDSA-N 2 1 392.547 3.782 20 0 GHADMP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC001167322430 838306442 /nfs/dbraw/zinc/30/64/42/838306442.db2.gz VPHPENIZDGFPHC-UHFFFAOYSA-N 2 1 398.378 3.556 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000415973080 838331239 /nfs/dbraw/zinc/33/12/39/838331239.db2.gz PZYYYVFIVZWQAM-QZTJIDSGSA-N 2 1 392.425 3.731 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415999807 838390014 /nfs/dbraw/zinc/39/00/14/838390014.db2.gz VZZPJIUDRLFBHE-VGSWGCGISA-N 2 1 378.520 3.807 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@@H](c1ccccc1)[NH+](C)C ZINC000613591813 838540186 /nfs/dbraw/zinc/54/01/86/838540186.db2.gz CKPOHFXCIBGXMI-MWTRTKDXSA-N 2 1 390.531 3.577 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@@H](c1ccccc1)[NH+](C)C ZINC000613591813 838540190 /nfs/dbraw/zinc/54/01/90/838540190.db2.gz CKPOHFXCIBGXMI-MWTRTKDXSA-N 2 1 390.531 3.577 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000416240415 838785115 /nfs/dbraw/zinc/78/51/15/838785115.db2.gz JMCUZXZWKNOZPC-ZCYQVOJMSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000893198431 838814628 /nfs/dbraw/zinc/81/46/28/838814628.db2.gz ICYJXLANXZZZLC-NSHGMRRFSA-N 2 1 392.613 3.504 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001125873094 838886111 /nfs/dbraw/zinc/88/61/11/838886111.db2.gz ZIOFWEMHJMOMJR-XMMPIXPASA-N 2 1 393.575 3.879 20 0 GHADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000580122938 838909390 /nfs/dbraw/zinc/90/93/90/838909390.db2.gz UQTDILMCEQXNOW-YLJYHZDGSA-N 2 1 399.501 3.936 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000189051465 839062141 /nfs/dbraw/zinc/06/21/41/839062141.db2.gz UDHYBRCGHAGUFR-ZHRRBRCNSA-N 2 1 392.478 3.772 20 0 GHADMP Fc1cccc(Cl)c1COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415046742 839113260 /nfs/dbraw/zinc/11/32/60/839113260.db2.gz VHVOYBWEWUHVBB-QGZVFWFLSA-N 2 1 378.875 3.526 20 0 GHADMP Fc1ccc(COc2cccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c2)cc1 ZINC000415050565 839119472 /nfs/dbraw/zinc/11/94/72/839119472.db2.gz IMCBQSJVNBITJS-UHFFFAOYSA-N 2 1 397.538 3.711 20 0 GHADMP Brc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000394574601 839226009 /nfs/dbraw/zinc/22/60/09/839226009.db2.gz QDLNPGQOQVAWPH-HUUCEWRRSA-N 2 1 388.147 3.928 20 0 GHADMP Brc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000394574601 839226016 /nfs/dbraw/zinc/22/60/16/839226016.db2.gz QDLNPGQOQVAWPH-HUUCEWRRSA-N 2 1 388.147 3.928 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000160474966 839398029 /nfs/dbraw/zinc/39/80/29/839398029.db2.gz SQSWCJLAJIKNCK-APWZRJJASA-N 2 1 399.539 3.843 20 0 GHADMP Clc1ccc(-c2nc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cs2)cc1 ZINC000580408901 839509269 /nfs/dbraw/zinc/50/92/69/839509269.db2.gz HCBAKRYEPIRXHM-UHFFFAOYSA-N 2 1 390.984 3.770 20 0 GHADMP C[C@@H]1C[C@H](c2cccnc2)[NH+](CCOCC[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425056 839545449 /nfs/dbraw/zinc/54/54/49/839545449.db2.gz DSQPYJVOVGOHQZ-GKIBHXGMSA-N 2 1 394.563 3.959 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530791 839778760 /nfs/dbraw/zinc/77/87/60/839778760.db2.gz OXHGRCLBZOHIIY-DHIUTWEWSA-N 2 1 382.548 3.545 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000580594809 839867256 /nfs/dbraw/zinc/86/72/56/839867256.db2.gz YIVODNGOVGZNNY-UHFFFAOYSA-N 2 1 393.575 3.571 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000535806009 844504001 /nfs/dbraw/zinc/50/40/01/844504001.db2.gz AJBWZBIAAVBLMM-AGILITTLSA-N 2 1 390.531 3.709 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418461725 840261883 /nfs/dbraw/zinc/26/18/83/840261883.db2.gz MGYXEKOUHRBOBP-RTBURBONSA-N 2 1 380.536 3.512 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1(C)C ZINC000500369173 840285678 /nfs/dbraw/zinc/28/56/78/840285678.db2.gz NLVXGXFAWUBKBF-UHFFFAOYSA-N 2 1 387.518 3.712 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000660119785 840292641 /nfs/dbraw/zinc/29/26/41/840292641.db2.gz XGHAMTCPKPNLRE-UHFFFAOYSA-N 2 1 383.989 3.606 20 0 GHADMP CCN(C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418482370 840301520 /nfs/dbraw/zinc/30/15/20/840301520.db2.gz FAUSMHDWYZAISS-GCJKJVERSA-N 2 1 380.536 3.512 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000416972173 840328049 /nfs/dbraw/zinc/32/80/49/840328049.db2.gz IACXFEBKRLCVFA-UNWVZKJWSA-N 2 1 398.595 3.592 20 0 GHADMP CC[C@H]1CN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000418499158 840335155 /nfs/dbraw/zinc/33/51/55/840335155.db2.gz XXOHFHQISVSDEV-GCJKJVERSA-N 2 1 380.536 3.512 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)cc2)C[C@H](C)O1 ZINC000684112282 840439926 /nfs/dbraw/zinc/43/99/26/840439926.db2.gz NPXFRKWKDDYAJL-IYRWYFENSA-N 2 1 396.579 3.845 20 0 GHADMP CC[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000431988942 840496893 /nfs/dbraw/zinc/49/68/93/840496893.db2.gz XAEFVSGGSVHDDN-FQEVSTJZSA-N 2 1 380.621 3.649 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1)C1CCCCC1 ZINC000417219543 840611613 /nfs/dbraw/zinc/61/16/13/840611613.db2.gz MKFNYDQKFJXVFB-IBGZPJMESA-N 2 1 386.584 3.722 20 0 GHADMP CO[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCOC1 ZINC000660492417 840657969 /nfs/dbraw/zinc/65/79/69/840657969.db2.gz SDJZGGINPCAVNZ-ODFNMKLISA-N 2 1 392.971 3.895 20 0 GHADMP C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548153853 840665155 /nfs/dbraw/zinc/66/51/55/840665155.db2.gz XCKHPCXOWADJSU-UGKGYDQZSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1ccccc1C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000511619397 840742512 /nfs/dbraw/zinc/74/25/12/840742512.db2.gz YPYPPHGZLLQKES-UHFFFAOYSA-N 2 1 393.575 3.986 20 0 GHADMP Cc1ccccc1C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000511619397 840742519 /nfs/dbraw/zinc/74/25/19/840742519.db2.gz YPYPPHGZLLQKES-UHFFFAOYSA-N 2 1 393.575 3.986 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000652117343 840803423 /nfs/dbraw/zinc/80/34/23/840803423.db2.gz WDGDXHDXTUKBQJ-NVXWUHKLSA-N 2 1 376.932 3.512 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc(C[NH3+])cc3F)cc2)C1 ZINC000652125489 840891774 /nfs/dbraw/zinc/89/17/74/840891774.db2.gz VHYHPDOAUMRYDO-KRWDZBQOSA-N 2 1 398.526 3.516 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)O[C@@H](C)C2 ZINC000581298023 841030528 /nfs/dbraw/zinc/03/05/28/841030528.db2.gz VYHJQTSDSOZVHY-PAXLWEDBSA-N 2 1 384.495 3.641 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660675701 841089873 /nfs/dbraw/zinc/08/98/73/841089873.db2.gz KWPSKLBEWLGURZ-PZJWPPBQSA-N 2 1 398.595 3.633 20 0 GHADMP c1ccc(C[NH2+]C2CCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000660678101 841091875 /nfs/dbraw/zinc/09/18/75/841091875.db2.gz RCFQMOCGSJHOAF-VWLOTQADSA-N 2 1 393.575 3.532 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000247330181 841138734 /nfs/dbraw/zinc/13/87/34/841138734.db2.gz YDGYIWZDRJJORG-UXHICEINSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000247330181 841138742 /nfs/dbraw/zinc/13/87/42/841138742.db2.gz YDGYIWZDRJJORG-UXHICEINSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247330181 841138747 /nfs/dbraw/zinc/13/87/47/841138747.db2.gz YDGYIWZDRJJORG-UXHICEINSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000417829837 841209359 /nfs/dbraw/zinc/20/93/59/841209359.db2.gz GLBQJWNFCYIVFI-ADHNFCLRSA-N 2 1 398.595 3.603 20 0 GHADMP CN1CC[NH+](CCCCCCCCC[N@@H+]2CCN(C)CC2(C)C)C(C)(C)C1 ZINC000781904765 841421465 /nfs/dbraw/zinc/42/14/65/841421465.db2.gz SSALQKYMHDOVHN-UHFFFAOYSA-N 2 1 380.665 3.769 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cc1cccc(Cl)c1 ZINC000581484185 841527791 /nfs/dbraw/zinc/52/77/91/841527791.db2.gz WWZVJFPXCILTHB-PKOBYXMFSA-N 2 1 378.969 3.807 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1cccc(Cl)c1 ZINC000581484185 841527796 /nfs/dbraw/zinc/52/77/96/841527796.db2.gz WWZVJFPXCILTHB-PKOBYXMFSA-N 2 1 378.969 3.807 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)CC2)[nH+]c1 ZINC000094122825 841684315 /nfs/dbraw/zinc/68/43/15/841684315.db2.gz OQLIOBSOJVBOGC-UHFFFAOYSA-N 2 1 392.547 3.883 20 0 GHADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCNC(=O)CC1 ZINC000661576082 841905508 /nfs/dbraw/zinc/90/55/08/841905508.db2.gz PLFZLWZACZUDOQ-LJQANCHMSA-N 2 1 379.976 3.790 20 0 GHADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000430634098 841934415 /nfs/dbraw/zinc/93/44/15/841934415.db2.gz QVLVCQRXKFHKTC-VWNXMTODSA-N 2 1 377.532 3.510 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001167825697 842049280 /nfs/dbraw/zinc/04/92/80/842049280.db2.gz KWHWBEBQXVZCIN-RZUBCFFCSA-N 2 1 375.557 3.594 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001167827652 842091024 /nfs/dbraw/zinc/09/10/24/842091024.db2.gz UNAPEGBSZMYEEM-AZUAARDMSA-N 2 1 395.542 3.525 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ncc(C[NH+](C)C)s1 ZINC000512028760 842194531 /nfs/dbraw/zinc/19/45/31/842194531.db2.gz XXCRPDIDNZCMAL-UHFFFAOYSA-N 2 1 376.595 3.674 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001167834857 842272315 /nfs/dbraw/zinc/27/23/15/842272315.db2.gz NLGBLMPAOASPDO-HOTGVXAUSA-N 2 1 395.510 3.981 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001167834857 842272324 /nfs/dbraw/zinc/27/23/24/842272324.db2.gz NLGBLMPAOASPDO-HOTGVXAUSA-N 2 1 395.510 3.981 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348839 842328158 /nfs/dbraw/zinc/32/81/58/842328158.db2.gz SWNKAYUQRUHDFU-BASYENTBSA-N 2 1 378.467 3.711 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000623657611 861302408 /nfs/dbraw/zinc/30/24/08/861302408.db2.gz VKTYJEUWTDLCBK-KRWDZBQOSA-N 2 1 394.401 3.735 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657391 861303202 /nfs/dbraw/zinc/30/32/02/861303202.db2.gz PRSYXWFRCTYJLJ-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657391 861303221 /nfs/dbraw/zinc/30/32/21/861303221.db2.gz PRSYXWFRCTYJLJ-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCCO1 ZINC000432408954 842403240 /nfs/dbraw/zinc/40/32/40/842403240.db2.gz DOXUGWJSLFSJFJ-YJBOKZPZSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCCO1 ZINC000432408954 842403243 /nfs/dbraw/zinc/40/32/43/842403243.db2.gz DOXUGWJSLFSJFJ-YJBOKZPZSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CCCO1 ZINC000432417307 842429781 /nfs/dbraw/zinc/42/97/81/842429781.db2.gz LNQFJJSBTJQECX-DMKPSLHHSA-N 2 1 381.358 3.786 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CCCO1 ZINC000432417307 842429785 /nfs/dbraw/zinc/42/97/85/842429785.db2.gz LNQFJJSBTJQECX-DMKPSLHHSA-N 2 1 381.358 3.786 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000510480929 842441317 /nfs/dbraw/zinc/44/13/17/842441317.db2.gz LXCVIDKPYVTUHR-AQNXPRMDSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1=CC[NH+](C)CC1 ZINC000510486770 842533058 /nfs/dbraw/zinc/53/30/58/842533058.db2.gz AVYLYRDVYGQPOD-RTBURBONSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)C1=CC[N@H+](C)CC1 ZINC000510486770 842533065 /nfs/dbraw/zinc/53/30/65/842533065.db2.gz AVYLYRDVYGQPOD-RTBURBONSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)C1=CC[N@@H+](C)CC1 ZINC000510486770 842533073 /nfs/dbraw/zinc/53/30/73/842533073.db2.gz AVYLYRDVYGQPOD-RTBURBONSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512116815 842546603 /nfs/dbraw/zinc/54/66/03/842546603.db2.gz PVSUEWOOKIQNSO-QZTJIDSGSA-N 2 1 386.609 3.972 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511961919 842586162 /nfs/dbraw/zinc/58/61/62/842586162.db2.gz VAFHKUUIBJPYDP-LZBANZJXSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248570493 842686657 /nfs/dbraw/zinc/68/66/57/842686657.db2.gz LYLHXXUQURKLLR-HKBOAZHASA-N 2 1 396.579 3.873 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248570493 842686660 /nfs/dbraw/zinc/68/66/60/842686660.db2.gz LYLHXXUQURKLLR-HKBOAZHASA-N 2 1 396.579 3.873 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248570493 842686663 /nfs/dbraw/zinc/68/66/63/842686663.db2.gz LYLHXXUQURKLLR-HKBOAZHASA-N 2 1 396.579 3.873 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000085400795 842719274 /nfs/dbraw/zinc/71/92/74/842719274.db2.gz FRAQARIVJXIBPO-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP Clc1ccc(-n2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)nn2)c(Cl)c1 ZINC000581943549 842782422 /nfs/dbraw/zinc/78/24/22/842782422.db2.gz LUYBBBBUHNDJDF-QGZVFWFLSA-N 2 1 380.323 3.538 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180583 842793368 /nfs/dbraw/zinc/79/33/68/842793368.db2.gz ONHVCMKSXJHVSU-ZWKOTPCHSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180583 842793370 /nfs/dbraw/zinc/79/33/70/842793370.db2.gz ONHVCMKSXJHVSU-ZWKOTPCHSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180583 842793372 /nfs/dbraw/zinc/79/33/72/842793372.db2.gz ONHVCMKSXJHVSU-ZWKOTPCHSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180583 842793376 /nfs/dbraw/zinc/79/33/76/842793376.db2.gz ONHVCMKSXJHVSU-ZWKOTPCHSA-N 2 1 396.535 3.892 20 0 GHADMP [NH3+]CC(F)(F)CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000581952136 842795666 /nfs/dbraw/zinc/79/56/66/842795666.db2.gz ZSGHQCOKNGPRIT-UHFFFAOYSA-N 2 1 387.474 3.550 20 0 GHADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000662251630 843018552 /nfs/dbraw/zinc/01/85/52/843018552.db2.gz GUILAJPELOISBL-VQTJNVASSA-N 2 1 377.315 3.729 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000430839563 843056203 /nfs/dbraw/zinc/05/62/03/843056203.db2.gz OVLAQNFWIPWFMP-TUACAJSNSA-N 2 1 382.548 3.549 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430839563 843056212 /nfs/dbraw/zinc/05/62/12/843056212.db2.gz OVLAQNFWIPWFMP-TUACAJSNSA-N 2 1 382.548 3.549 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)COCc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430839563 843056221 /nfs/dbraw/zinc/05/62/21/843056221.db2.gz OVLAQNFWIPWFMP-TUACAJSNSA-N 2 1 382.548 3.549 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430839563 843056231 /nfs/dbraw/zinc/05/62/31/843056231.db2.gz OVLAQNFWIPWFMP-TUACAJSNSA-N 2 1 382.548 3.549 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291253 843082372 /nfs/dbraw/zinc/08/23/72/843082372.db2.gz QKONZRWOHOACLQ-WBVHZDCISA-N 2 1 393.959 3.696 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)c1cccs1 ZINC000662291527 843083762 /nfs/dbraw/zinc/08/37/62/843083762.db2.gz HQWGLLAEXYYAJF-FXAWDEMLSA-N 2 1 377.598 3.663 20 0 GHADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000662294685 843087974 /nfs/dbraw/zinc/08/79/74/843087974.db2.gz DRZSNDZNOXQJBS-NZQKXSOJSA-N 2 1 397.588 3.665 20 0 GHADMP CC(C)(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccs1 ZINC000662297880 843089803 /nfs/dbraw/zinc/08/98/03/843089803.db2.gz SPSNZAVIPMSNIF-XLIONFOSSA-N 2 1 377.598 3.663 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CCO1 ZINC000662324203 843141485 /nfs/dbraw/zinc/14/14/85/843141485.db2.gz ZDHLBRIZMPTEBA-OAQYLSRUSA-N 2 1 395.547 3.725 20 0 GHADMP Clc1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c(Cl)c1 ZINC000662334940 843147447 /nfs/dbraw/zinc/14/74/47/843147447.db2.gz DWHGMJHPMALFLK-OAHLLOKOSA-N 2 1 394.350 3.506 20 0 GHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)c1 ZINC000430941372 843219014 /nfs/dbraw/zinc/21/90/14/843219014.db2.gz WFKIGNHSJMELCW-INIZCTEOSA-N 2 1 386.565 3.500 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(F)c(Br)cc2F)cc1 ZINC000623699751 861392537 /nfs/dbraw/zinc/39/25/37/861392537.db2.gz YXLCVPNTZCJVQL-UHFFFAOYSA-N 2 1 399.279 3.958 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000673693685 861394947 /nfs/dbraw/zinc/39/49/47/861394947.db2.gz IJCQIGVLBKSPBH-HXUWFJFHSA-N 2 1 383.536 3.858 20 0 GHADMP CCC[N@H+](Cc1cn2c(cccc2C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280318 843306345 /nfs/dbraw/zinc/30/63/45/843306345.db2.gz HJNRQTYWFHWMRE-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP CCC[N@@H+](Cc1cn2c(cccc2C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280318 843306354 /nfs/dbraw/zinc/30/63/54/843306354.db2.gz HJNRQTYWFHWMRE-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[C@@H](C)O1 ZINC000512278810 843309474 /nfs/dbraw/zinc/30/94/74/843309474.db2.gz KVGSBWSVORNQDD-UUPRHWSJSA-N 3 1 399.623 3.766 20 0 GHADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000662488203 843328107 /nfs/dbraw/zinc/32/81/07/843328107.db2.gz RIVRHYLHMWWWSI-QHCPKHFHSA-N 2 1 395.572 3.522 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662495157 843338900 /nfs/dbraw/zinc/33/89/00/843338900.db2.gz MZNZGIMUZLPDKR-UHFFFAOYSA-N 2 1 398.551 3.694 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535659177 843504400 /nfs/dbraw/zinc/50/44/00/843504400.db2.gz MVKOWECSCVRFPK-QMMLZNLJSA-N 2 1 389.971 3.856 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535659177 843504411 /nfs/dbraw/zinc/50/44/11/843504411.db2.gz MVKOWECSCVRFPK-QMMLZNLJSA-N 2 1 389.971 3.856 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535659177 843504417 /nfs/dbraw/zinc/50/44/17/843504417.db2.gz MVKOWECSCVRFPK-QMMLZNLJSA-N 2 1 389.971 3.856 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535659177 843504425 /nfs/dbraw/zinc/50/44/25/843504425.db2.gz MVKOWECSCVRFPK-QMMLZNLJSA-N 2 1 389.971 3.856 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418655764 843506200 /nfs/dbraw/zinc/50/62/00/843506200.db2.gz DEGTYKSYZYGPSZ-OAQYLSRUSA-N 2 1 382.552 3.676 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662675664 843510949 /nfs/dbraw/zinc/51/09/49/843510949.db2.gz PCKWCTXEXGLJFS-SFHVURJKSA-N 2 1 377.532 3.637 20 0 GHADMP CCC[N@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431072972 843544178 /nfs/dbraw/zinc/54/41/78/843544178.db2.gz HTXFQKHVRJUJMM-UHFFFAOYSA-N 2 1 393.575 3.789 20 0 GHADMP CCC[N@@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431072972 843544180 /nfs/dbraw/zinc/54/41/80/843544180.db2.gz HTXFQKHVRJUJMM-UHFFFAOYSA-N 2 1 393.575 3.789 20 0 GHADMP CCC[N@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431097025 843591872 /nfs/dbraw/zinc/59/18/72/843591872.db2.gz MDKHRFWJSNCACQ-QFIPXVFZSA-N 2 1 387.568 3.603 20 0 GHADMP CCC[N@@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431097025 843591874 /nfs/dbraw/zinc/59/18/74/843591874.db2.gz MDKHRFWJSNCACQ-QFIPXVFZSA-N 2 1 387.568 3.603 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000051403141 843675942 /nfs/dbraw/zinc/67/59/42/843675942.db2.gz KMNODRYPDFIXIV-UHFFFAOYSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000051403141 843675950 /nfs/dbraw/zinc/67/59/50/843675950.db2.gz KMNODRYPDFIXIV-UHFFFAOYSA-N 2 1 391.559 3.740 20 0 GHADMP COCC[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449252 843831914 /nfs/dbraw/zinc/83/19/14/843831914.db2.gz DPEFGQSJJHFGDM-JWQCQUIFSA-N 2 1 393.575 3.656 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282434134 861462757 /nfs/dbraw/zinc/46/27/57/861462757.db2.gz HOJLHNMYLKPNJN-BKULYWANSA-N 2 1 391.559 3.649 20 0 GHADMP CSc1cc2c(cc1C[N@H+]1CC[C@H](CNc3cccc(C)[nH+]3)C1)OCCO2 ZINC000512850348 843884103 /nfs/dbraw/zinc/88/41/03/843884103.db2.gz ISCJSPOXSMMQAU-MRXNPFEDSA-N 2 1 385.533 3.817 20 0 GHADMP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(-c2ccccc2)cc1OC ZINC000237455704 843944137 /nfs/dbraw/zinc/94/41/37/843944137.db2.gz KZGFSORFXZOROC-NRFANRHFSA-N 2 1 398.547 3.553 20 0 GHADMP CN(C(=O)c1cc(F)cc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000535849300 844809991 /nfs/dbraw/zinc/80/99/91/844809991.db2.gz XBKGGBICOPZMEQ-PMACEKPBSA-N 2 1 395.950 3.888 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000474939732 861501685 /nfs/dbraw/zinc/50/16/85/861501685.db2.gz CFLDOFVZZLIVCP-KGVIQGDOSA-N 2 1 398.547 3.552 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513209215 845053874 /nfs/dbraw/zinc/05/38/74/845053874.db2.gz HHKGRHXWOSEAPZ-IBGZPJMESA-N 2 1 381.442 3.982 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)CC1 ZINC000093132615 845111506 /nfs/dbraw/zinc/11/15/06/845111506.db2.gz UNKSOPRDZXTPTO-KRWDZBQOSA-N 2 1 396.560 3.768 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000263312593 845113021 /nfs/dbraw/zinc/11/30/21/845113021.db2.gz YZEDLTCGVVVYBQ-UHFFFAOYSA-N 2 1 391.559 3.700 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548515916 845196813 /nfs/dbraw/zinc/19/68/13/845196813.db2.gz LLKGGFXGKSJYMH-QFIPXVFZSA-N 2 1 377.532 3.592 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548515916 845196821 /nfs/dbraw/zinc/19/68/21/845196821.db2.gz LLKGGFXGKSJYMH-QFIPXVFZSA-N 2 1 377.532 3.592 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262336680 845336548 /nfs/dbraw/zinc/33/65/48/845336548.db2.gz SHCPDKANIOYFEP-DUBFSDMOSA-N 2 1 383.580 3.652 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCC4CCCCC4)c3)C2)CC1 ZINC000513447175 845439623 /nfs/dbraw/zinc/43/96/23/845439623.db2.gz LSFSDYFIEAYKIB-HSZRJFAPSA-N 2 1 385.596 3.858 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000249474373 845553571 /nfs/dbraw/zinc/55/35/71/845553571.db2.gz VGKWHHVQXFEUNX-PWHSHALESA-N 2 1 397.563 3.893 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000249474373 845553581 /nfs/dbraw/zinc/55/35/81/845553581.db2.gz VGKWHHVQXFEUNX-PWHSHALESA-N 2 1 397.563 3.893 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000433948976 845648249 /nfs/dbraw/zinc/64/82/49/845648249.db2.gz HYDDUMXDSRIKCN-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433948976 845648255 /nfs/dbraw/zinc/64/82/55/845648255.db2.gz HYDDUMXDSRIKCN-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433948976 845648260 /nfs/dbraw/zinc/64/82/60/845648260.db2.gz HYDDUMXDSRIKCN-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179515300 861612864 /nfs/dbraw/zinc/61/28/64/861612864.db2.gz BYCPBHVJQFNHLM-DLBZAZTESA-N 2 1 387.487 3.630 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472144162 846159588 /nfs/dbraw/zinc/15/95/88/846159588.db2.gz MZYFVNIMDVWDOM-MOPGFXCFSA-N 2 1 385.552 3.551 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)CC2)CC1 ZINC000421375441 846186285 /nfs/dbraw/zinc/18/62/85/846186285.db2.gz OYIHVFASVMXVII-UHFFFAOYSA-N 2 1 378.564 3.741 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000072097317 846431531 /nfs/dbraw/zinc/43/15/31/846431531.db2.gz LJWAWPNGPXTBKW-UHFFFAOYSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000502874499 846559783 /nfs/dbraw/zinc/55/97/83/846559783.db2.gz DURACAVSIVHQDI-WOJBJXKFSA-N 2 1 390.572 3.760 20 0 GHADMP COC(=O)c1cc2cc(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)ccc2o1 ZINC000501026715 846560794 /nfs/dbraw/zinc/56/07/94/846560794.db2.gz AYUXGDHWSTZCPI-UHFFFAOYSA-N 2 1 393.487 3.963 20 0 GHADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050054 846577474 /nfs/dbraw/zinc/57/74/74/846577474.db2.gz KRDOOTLXOVIKHX-PMACEKPBSA-N 2 1 394.563 3.804 20 0 GHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000501051188 846603346 /nfs/dbraw/zinc/60/33/46/846603346.db2.gz XZFHHXOEVXVMGF-KRWDZBQOSA-N 2 1 384.499 3.705 20 0 GHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000501051189 846603602 /nfs/dbraw/zinc/60/36/02/846603602.db2.gz XZFHHXOEVXVMGF-QGZVFWFLSA-N 2 1 384.499 3.705 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000502960637 846664876 /nfs/dbraw/zinc/66/48/76/846664876.db2.gz OKDFUUCITAYQOH-TYPHKJRUSA-N 2 1 386.584 3.822 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000503074597 846777559 /nfs/dbraw/zinc/77/75/59/846777559.db2.gz LIAJBJPFSVHWJX-ROUUACIJSA-N 2 1 382.552 3.658 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000503074597 846777570 /nfs/dbraw/zinc/77/75/70/846777570.db2.gz LIAJBJPFSVHWJX-ROUUACIJSA-N 2 1 382.552 3.658 20 0 GHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000503100546 846796197 /nfs/dbraw/zinc/79/61/97/846796197.db2.gz CQSVSSFZOJLHIH-QFBILLFUSA-N 2 1 380.964 3.506 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000503100546 846796199 /nfs/dbraw/zinc/79/61/99/846796199.db2.gz CQSVSSFZOJLHIH-QFBILLFUSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000657389189 846819393 /nfs/dbraw/zinc/81/93/93/846819393.db2.gz SVJZJKLKMQPQLM-WNOPAQSVSA-N 2 1 380.532 3.997 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000501493872 846963506 /nfs/dbraw/zinc/96/35/06/846963506.db2.gz CWFAQBODJVDLHK-MDZRGWNJSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000501493872 846963513 /nfs/dbraw/zinc/96/35/13/846963513.db2.gz CWFAQBODJVDLHK-MDZRGWNJSA-N 2 1 380.964 3.505 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000272084063 846987755 /nfs/dbraw/zinc/98/77/55/846987755.db2.gz HWUFFBVHIILCRC-JOCHJYFZSA-N 2 1 384.568 3.563 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000277564119 846989885 /nfs/dbraw/zinc/98/98/85/846989885.db2.gz RZOYYHXXGQICDD-OAQYLSRUSA-N 2 1 375.520 3.850 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000277564119 846989896 /nfs/dbraw/zinc/98/98/96/846989896.db2.gz RZOYYHXXGQICDD-OAQYLSRUSA-N 2 1 375.520 3.850 20 0 GHADMP C[C@H]1CC([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044710 861756853 /nfs/dbraw/zinc/75/68/53/861756853.db2.gz GRGOHDGKIJQDCX-ROUUACIJSA-N 2 1 387.568 3.885 20 0 GHADMP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000501770154 847165181 /nfs/dbraw/zinc/16/51/81/847165181.db2.gz NFXOMYHIFWCMNV-HXUWFJFHSA-N 2 1 377.960 3.889 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431405617 847179256 /nfs/dbraw/zinc/17/92/56/847179256.db2.gz XJBBJDNGRQZRDU-BZUAXINKSA-N 2 1 379.511 3.522 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272884590 847198059 /nfs/dbraw/zinc/19/80/59/847198059.db2.gz NYNUIBGZVLTZKN-GHTZIAJQSA-N 2 1 386.561 3.623 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272884590 847198065 /nfs/dbraw/zinc/19/80/65/847198065.db2.gz NYNUIBGZVLTZKN-GHTZIAJQSA-N 2 1 386.561 3.623 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000272902225 847203441 /nfs/dbraw/zinc/20/34/41/847203441.db2.gz KKJJUKZYGWUUNK-XMSQKQJNSA-N 2 1 395.547 3.552 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501827662 847216756 /nfs/dbraw/zinc/21/67/56/847216756.db2.gz QIQVJYCFWAENLG-LEWJYISDSA-N 2 1 397.567 3.744 20 0 GHADMP COc1cccc([C@@H](C)[NH2+]CC2(C[NH2+][C@@H](C)c3cccc(OC)c3)COC2)c1 ZINC000272975851 847219667 /nfs/dbraw/zinc/21/96/67/847219667.db2.gz PRWCMIKVGBZLFG-HDICACEKSA-N 2 1 384.520 3.722 20 0 GHADMP CC(C)[N@@H+]1CCO[C@H](c2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)C1 ZINC000420480322 847237065 /nfs/dbraw/zinc/23/70/65/847237065.db2.gz JQHJWLRKEJUNCX-FQEVSTJZSA-N 2 1 384.524 3.750 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](c2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)C1 ZINC000420480322 847237075 /nfs/dbraw/zinc/23/70/75/847237075.db2.gz JQHJWLRKEJUNCX-FQEVSTJZSA-N 2 1 384.524 3.750 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429743 847244237 /nfs/dbraw/zinc/24/42/37/847244237.db2.gz KAFPPSVIBVRJCC-KWOQKUFVSA-N 2 1 380.532 3.855 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000509949851 847413267 /nfs/dbraw/zinc/41/32/67/847413267.db2.gz WXKSAGWRDBODDO-UHFFFAOYSA-N 2 1 387.119 3.896 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000420778942 847425226 /nfs/dbraw/zinc/42/52/26/847425226.db2.gz JZZJVBCBVOCVLV-OSFYOIPJSA-N 2 1 386.584 3.733 20 0 GHADMP c1ccc(COC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420904467 847523251 /nfs/dbraw/zinc/52/32/51/847523251.db2.gz PPVOHGFFVDALBR-UHFFFAOYSA-N 2 1 380.532 3.700 20 0 GHADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420957284 847577702 /nfs/dbraw/zinc/57/77/02/847577702.db2.gz CJJXGNQIXDARHR-CDIGIKMISA-N 2 1 386.580 3.670 20 0 GHADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420957284 847577732 /nfs/dbraw/zinc/57/77/32/847577732.db2.gz CJJXGNQIXDARHR-CDIGIKMISA-N 2 1 386.580 3.670 20 0 GHADMP c1[nH]c2ncccc2c1C1=CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420941633 847585946 /nfs/dbraw/zinc/58/59/46/847585946.db2.gz TXCKASZYLLDJSA-UHFFFAOYSA-N 2 1 388.515 3.684 20 0 GHADMP c1[nH]c2ncccc2c1C1=CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420941633 847585959 /nfs/dbraw/zinc/58/59/59/847585959.db2.gz TXCKASZYLLDJSA-UHFFFAOYSA-N 2 1 388.515 3.684 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CCC(C(F)(F)F)CC3)CC2)CC1 ZINC000420974048 847601514 /nfs/dbraw/zinc/60/15/14/847601514.db2.gz DCWVQKRFQLQCRL-UHFFFAOYSA-N 2 1 375.523 3.847 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000421016284 847638977 /nfs/dbraw/zinc/63/89/77/847638977.db2.gz UMTYOWHWKCRQNP-UHFFFAOYSA-N 2 1 385.474 3.577 20 0 GHADMP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000502286588 847696868 /nfs/dbraw/zinc/69/68/68/847696868.db2.gz QGVDMIXCGCPRKH-LJQANCHMSA-N 2 1 398.547 3.565 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000503468620 847723620 /nfs/dbraw/zinc/72/36/20/847723620.db2.gz IOTRFVGPBYWQEE-NJDAHSKKSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C[NH3+] ZINC000422625449 847736624 /nfs/dbraw/zinc/73/66/24/847736624.db2.gz BRMLMNPWPQSPOO-FMKPAKJESA-N 2 1 389.341 3.711 20 0 GHADMP c1ccc([C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[NH+]2CCCC2)cc1 ZINC000422735199 847789035 /nfs/dbraw/zinc/78/90/35/847789035.db2.gz VTITXGDYIOFBFL-AOHZBQACSA-N 2 1 377.532 3.669 20 0 GHADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422716404 847793448 /nfs/dbraw/zinc/79/34/48/847793448.db2.gz UNKOZVGFRACKIZ-BHIFYINESA-N 2 1 397.519 3.519 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422787094 847822852 /nfs/dbraw/zinc/82/28/52/847822852.db2.gz LVDBZJOMGSBXLU-LADGPHEKSA-N 2 1 379.548 3.874 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000611671786 847873097 /nfs/dbraw/zinc/87/30/97/847873097.db2.gz LSUPYXJRRNJMOF-XZOQPEGZSA-N 2 1 394.563 3.768 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000611671786 847873103 /nfs/dbraw/zinc/87/31/03/847873103.db2.gz LSUPYXJRRNJMOF-XZOQPEGZSA-N 2 1 394.563 3.768 20 0 GHADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423032403 847948033 /nfs/dbraw/zinc/94/80/33/847948033.db2.gz MLLULOAASXUOIN-HUUJSLGLSA-N 2 1 375.438 3.974 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1Cl ZINC000611687168 847965473 /nfs/dbraw/zinc/96/54/73/847965473.db2.gz PJYCMOSINVHJQY-HXUWFJFHSA-N 2 1 392.975 3.603 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](COC)Cc1ccccc1 ZINC001167602846 848099030 /nfs/dbraw/zinc/09/90/30/848099030.db2.gz QRFYAVHMDAZLKN-DEOSSOPVSA-N 2 1 382.548 3.598 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](COC)Cc1ccccc1 ZINC001167602846 848099035 /nfs/dbraw/zinc/09/90/35/848099035.db2.gz QRFYAVHMDAZLKN-DEOSSOPVSA-N 2 1 382.548 3.598 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)s2)cc1 ZINC000657594340 848283870 /nfs/dbraw/zinc/28/38/70/848283870.db2.gz IPQVLZKGRWXPDD-NRFANRHFSA-N 2 1 393.556 3.975 20 0 GHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595319 848286929 /nfs/dbraw/zinc/28/69/29/848286929.db2.gz OSPFKIRCSKXIRS-GOSISDBHSA-N 2 1 395.330 3.858 20 0 GHADMP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000604171036 861922824 /nfs/dbraw/zinc/92/28/24/861922824.db2.gz JOGZKVSUBFPAAH-RZUBCFFCSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604179989 861936986 /nfs/dbraw/zinc/93/69/86/861936986.db2.gz YPAKVPGHNWVBAH-RZUBCFFCSA-N 2 1 386.584 3.633 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000685073675 848993819 /nfs/dbraw/zinc/99/38/19/848993819.db2.gz CBWCWWBSPMVEIS-SFHVURJKSA-N 2 1 392.613 3.520 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)c1OC ZINC000583087642 849036425 /nfs/dbraw/zinc/03/64/25/849036425.db2.gz ZBCXJQDRMLOOJJ-JKSUJKDBSA-N 2 1 387.549 3.649 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)C2)C1 ZINC000458383894 849067945 /nfs/dbraw/zinc/06/79/45/849067945.db2.gz LAHRMZSPFATSRN-DEOSSOPVSA-N 2 1 398.595 3.690 20 0 GHADMP Cn1c2ccc(C[NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)cc2oc1=O ZINC000511236040 849383775 /nfs/dbraw/zinc/38/37/75/849383775.db2.gz QIKLEBFDFAJTMQ-UHFFFAOYSA-N 2 1 391.471 3.646 20 0 GHADMP Clc1cc(Cl)c2c(c1)C=C(CNC1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000657750234 849599524 /nfs/dbraw/zinc/59/95/24/849599524.db2.gz FCBHFJVKXQMZFW-KRWDZBQOSA-N 2 1 383.319 3.612 20 0 GHADMP C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098941 849742516 /nfs/dbraw/zinc/74/25/16/849742516.db2.gz DLZGHAKLZCQMMI-RIGAPWLVSA-N 2 1 391.987 3.611 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000472286644 849779133 /nfs/dbraw/zinc/77/91/33/849779133.db2.gz JVNBCJVGIJXJQS-SJLPKXTDSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000472286644 849779143 /nfs/dbraw/zinc/77/91/43/849779143.db2.gz JVNBCJVGIJXJQS-SJLPKXTDSA-N 2 1 390.503 3.678 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180375 849788463 /nfs/dbraw/zinc/78/84/63/849788463.db2.gz BBKAIZADHPNOEY-CQSZACIVSA-N 2 1 380.305 3.684 20 0 GHADMP CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)c1 ZINC000423389758 849896683 /nfs/dbraw/zinc/89/66/83/849896683.db2.gz OHGGWQAAKQOLAF-WSTZPKSXSA-N 2 1 392.952 3.692 20 0 GHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423515323 849962639 /nfs/dbraw/zinc/96/26/39/849962639.db2.gz VBWUJSMLNFBERJ-TVPLGVNVSA-N 2 1 385.474 3.842 20 0 GHADMP [NH3+]C1(CN[C@@H]2CCCOc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423572702 849984260 /nfs/dbraw/zinc/98/42/60/849984260.db2.gz OJXIDHWHMPDZKF-OAQYLSRUSA-N 2 1 383.511 3.623 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423830825 850078656 /nfs/dbraw/zinc/07/86/56/850078656.db2.gz QGUJPLUMFYIWMG-UFYCRDLUSA-N 2 1 385.939 3.928 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423830825 850078667 /nfs/dbraw/zinc/07/86/67/850078667.db2.gz QGUJPLUMFYIWMG-UFYCRDLUSA-N 2 1 385.939 3.928 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(-c3ccco3)s2)[C@H](c2ccccc2)C1 ZINC000486931432 850260105 /nfs/dbraw/zinc/26/01/05/850260105.db2.gz SSFAONUVKCQHPD-FQEVSTJZSA-N 2 1 396.560 3.872 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424294398 850338278 /nfs/dbraw/zinc/33/82/78/850338278.db2.gz QCLHCKKIJOJYPC-OFNKIYASSA-N 2 1 391.559 3.551 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514872402 850415009 /nfs/dbraw/zinc/41/50/09/850415009.db2.gz ZIJMMYYPLRPDOC-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514872402 850415018 /nfs/dbraw/zinc/41/50/18/850415018.db2.gz ZIJMMYYPLRPDOC-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514872402 850415026 /nfs/dbraw/zinc/41/50/26/850415026.db2.gz ZIJMMYYPLRPDOC-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000555888959 862126710 /nfs/dbraw/zinc/12/67/10/862126710.db2.gz GMIRWXZNGABDKZ-HSZRJFAPSA-N 2 1 382.548 3.606 20 0 GHADMP Cc1ncncc1[C@@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000518999585 850462981 /nfs/dbraw/zinc/46/29/81/850462981.db2.gz GZWXSLKFVGLHFF-CEXWTWQISA-N 2 1 382.552 3.645 20 0 GHADMP Brc1ccc(OCc2ccccc2)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000414795891 850515958 /nfs/dbraw/zinc/51/59/58/850515958.db2.gz XNXXUZUCAUGNCM-UHFFFAOYSA-N 2 1 375.310 3.870 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000519081387 850605689 /nfs/dbraw/zinc/60/56/89/850605689.db2.gz YLDWSBFNBIFUGT-QHCPKHFHSA-N 2 1 379.548 3.906 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cncn3C(C)C)CC2)c1C ZINC000425390453 850618434 /nfs/dbraw/zinc/61/84/34/850618434.db2.gz YLEXBSLVXYMFBJ-UHFFFAOYSA-N 2 1 385.556 3.581 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cncn3C(C)C)CC2)c1C ZINC000425390453 850618438 /nfs/dbraw/zinc/61/84/38/850618438.db2.gz YLEXBSLVXYMFBJ-UHFFFAOYSA-N 2 1 385.556 3.581 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000519141901 850662344 /nfs/dbraw/zinc/66/23/44/850662344.db2.gz SNGKSDIATSNFLA-NFBKMPQASA-N 2 1 382.548 3.858 20 0 GHADMP CC[N@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630095 850725249 /nfs/dbraw/zinc/72/52/49/850725249.db2.gz ZKCVYXXRHYNCHE-IFMALSPDSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630095 850725253 /nfs/dbraw/zinc/72/52/53/850725253.db2.gz ZKCVYXXRHYNCHE-IFMALSPDSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435630098 850725985 /nfs/dbraw/zinc/72/59/85/850725985.db2.gz ZKCVYXXRHYNCHE-UNMCSNQZSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435630098 850725991 /nfs/dbraw/zinc/72/59/91/850725991.db2.gz ZKCVYXXRHYNCHE-UNMCSNQZSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435682417 850748069 /nfs/dbraw/zinc/74/80/69/850748069.db2.gz NIAALZZFCYDQQQ-WIYYLYMNSA-N 2 1 397.588 3.912 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435682417 850748073 /nfs/dbraw/zinc/74/80/73/850748073.db2.gz NIAALZZFCYDQQQ-WIYYLYMNSA-N 2 1 397.588 3.912 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1ccccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435692998 850771453 /nfs/dbraw/zinc/77/14/53/850771453.db2.gz HXKMCWOYPQWVMD-NRFANRHFSA-N 2 1 382.552 3.625 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1ccccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435692998 850771458 /nfs/dbraw/zinc/77/14/58/850771458.db2.gz HXKMCWOYPQWVMD-NRFANRHFSA-N 2 1 382.552 3.625 20 0 GHADMP C[C@@H](NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435697808 850779346 /nfs/dbraw/zinc/77/93/46/850779346.db2.gz ZHFPTRRSNCCUEZ-XLIONFOSSA-N 2 1 383.561 3.570 20 0 GHADMP C[C@@H](NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435697808 850779356 /nfs/dbraw/zinc/77/93/56/850779356.db2.gz ZHFPTRRSNCCUEZ-XLIONFOSSA-N 2 1 383.561 3.570 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966127 850823692 /nfs/dbraw/zinc/82/36/92/850823692.db2.gz QTVMSFZPPCLMIH-MNIJEXPFSA-N 2 1 377.573 3.627 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC4(CCCC4)CC3)c2)C1 ZINC000515257430 850834208 /nfs/dbraw/zinc/83/42/08/850834208.db2.gz VKWSWRGRCVOAGD-NRFANRHFSA-N 2 1 383.580 3.977 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414832417 850869763 /nfs/dbraw/zinc/86/97/63/850869763.db2.gz DMEIZYDVTJZNOR-CXAGYDPISA-N 2 1 382.346 3.663 20 0 GHADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)CC[NH+]3CCc4ccccc4C3)sc2C1 ZINC000425040071 850884210 /nfs/dbraw/zinc/88/42/10/850884210.db2.gz NSIVCHJYSIMCMG-UHFFFAOYSA-N 2 1 398.576 3.687 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)CC[N@@H+]3CCc4ccccc4C3)sc2C1 ZINC000425040071 850884214 /nfs/dbraw/zinc/88/42/14/850884214.db2.gz NSIVCHJYSIMCMG-UHFFFAOYSA-N 2 1 398.576 3.687 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)CC[N@H+]3CCc4ccccc4C3)sc2C1 ZINC000425040071 850884217 /nfs/dbraw/zinc/88/42/17/850884217.db2.gz NSIVCHJYSIMCMG-UHFFFAOYSA-N 2 1 398.576 3.687 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)C[C@H](C)O1 ZINC000425412769 850961277 /nfs/dbraw/zinc/96/12/77/850961277.db2.gz CCJCCVVHZOPCMG-BGYRXZFFSA-N 2 1 394.563 3.855 20 0 GHADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)N[C@H](c1cccs1)c1ccccc1 ZINC000515376088 850965636 /nfs/dbraw/zinc/96/56/36/850965636.db2.gz XVOORLSJLRNUFL-MZKRTTBSSA-N 2 1 397.588 3.950 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)N[C@H](c1cccs1)c1ccccc1 ZINC000515376088 850965639 /nfs/dbraw/zinc/96/56/39/850965639.db2.gz XVOORLSJLRNUFL-MZKRTTBSSA-N 2 1 397.588 3.950 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000519387076 850993969 /nfs/dbraw/zinc/99/39/69/850993969.db2.gz NZALMBYIZDYRPW-QHAWAJNXSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000434355029 851025530 /nfs/dbraw/zinc/02/55/30/851025530.db2.gz LQYSLUFIBPWVQX-PTUXOGIPSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000434355029 851025541 /nfs/dbraw/zinc/02/55/41/851025541.db2.gz LQYSLUFIBPWVQX-PTUXOGIPSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000434355029 851025554 /nfs/dbraw/zinc/02/55/54/851025554.db2.gz LQYSLUFIBPWVQX-PTUXOGIPSA-N 2 1 398.595 3.698 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000515669847 851316924 /nfs/dbraw/zinc/31/69/24/851316924.db2.gz CZEYFAFINMFEOM-QHCPKHFHSA-N 2 1 393.575 3.821 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514214402 851397109 /nfs/dbraw/zinc/39/71/09/851397109.db2.gz MYMMQPGMNDRKNP-TZIWHRDSSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436282324 851404332 /nfs/dbraw/zinc/40/43/32/851404332.db2.gz ITHIIVHRWDRBBR-LMDPOFIKSA-N 2 1 397.563 3.694 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436282324 851404344 /nfs/dbraw/zinc/40/43/44/851404344.db2.gz ITHIIVHRWDRBBR-LMDPOFIKSA-N 2 1 397.563 3.694 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000894480247 851444470 /nfs/dbraw/zinc/44/44/70/851444470.db2.gz WYILNKKWLABGNJ-INIZCTEOSA-N 2 1 394.357 3.571 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1)N1CCCCC1 ZINC000436313359 851447952 /nfs/dbraw/zinc/44/79/52/851447952.db2.gz LQPUGKUJWIZODC-OYTPZHDJSA-N 2 1 395.591 3.668 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048816631 851498110 /nfs/dbraw/zinc/49/81/10/851498110.db2.gz XGDDMHASUWDESK-HDICACEKSA-N 2 1 381.520 3.544 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000510004200 851559020 /nfs/dbraw/zinc/55/90/20/851559020.db2.gz DIBLYVVQCMYZRH-UHFFFAOYSA-N 2 1 388.313 3.628 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745187 851679118 /nfs/dbraw/zinc/67/91/18/851679118.db2.gz JSOQWIDLEWZLQW-ACIOBRDBSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745187 851679123 /nfs/dbraw/zinc/67/91/23/851679123.db2.gz JSOQWIDLEWZLQW-ACIOBRDBSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745187 851679131 /nfs/dbraw/zinc/67/91/31/851679131.db2.gz JSOQWIDLEWZLQW-ACIOBRDBSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745187 851679135 /nfs/dbraw/zinc/67/91/35/851679135.db2.gz JSOQWIDLEWZLQW-ACIOBRDBSA-N 2 1 382.548 3.720 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1C(F)(F)F ZINC000101602729 851723163 /nfs/dbraw/zinc/72/31/63/851723163.db2.gz RRKQIWHYWISLSV-HNNXBMFYSA-N 2 1 386.462 3.585 20 0 GHADMP COc1c(Br)cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Br ZINC000049554128 851844458 /nfs/dbraw/zinc/84/44/58/851844458.db2.gz OKVKSLWAGNUOFX-JTQLQIEISA-N 2 1 394.151 3.650 20 0 GHADMP CO[C@H](C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000664837586 851879700 /nfs/dbraw/zinc/87/97/00/851879700.db2.gz PRQBKMQPODLCTP-YTFSRNRJSA-N 2 1 386.580 3.661 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000438091065 852011152 /nfs/dbraw/zinc/01/11/52/852011152.db2.gz DKTQIUAVESRGLM-FQEVSTJZSA-N 2 1 396.531 3.826 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000438091065 852011160 /nfs/dbraw/zinc/01/11/60/852011160.db2.gz DKTQIUAVESRGLM-FQEVSTJZSA-N 2 1 396.531 3.826 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000438091065 852011167 /nfs/dbraw/zinc/01/11/67/852011167.db2.gz DKTQIUAVESRGLM-FQEVSTJZSA-N 2 1 396.531 3.826 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000438091065 852011173 /nfs/dbraw/zinc/01/11/73/852011173.db2.gz DKTQIUAVESRGLM-FQEVSTJZSA-N 2 1 396.531 3.826 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)C1 ZINC001167981631 852043320 /nfs/dbraw/zinc/04/33/20/852043320.db2.gz CGXZXUKHTDHQMP-OTYNDTSQSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2(CC2)C1 ZINC001167982080 852056711 /nfs/dbraw/zinc/05/67/11/852056711.db2.gz VRKVYKHGSZYILZ-NXEWRWPSSA-N 2 1 389.584 3.771 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180760829 862323359 /nfs/dbraw/zinc/32/33/59/862323359.db2.gz XWVLGAJDOYMONF-MOPGFXCFSA-N 2 1 395.950 3.851 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180760829 862323379 /nfs/dbraw/zinc/32/33/79/862323379.db2.gz XWVLGAJDOYMONF-MOPGFXCFSA-N 2 1 395.950 3.851 20 0 GHADMP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000473815517 852149251 /nfs/dbraw/zinc/14/92/51/852149251.db2.gz DCUMZVVUEZZIFB-XARGGIHNSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000473815517 852149255 /nfs/dbraw/zinc/14/92/55/852149255.db2.gz DCUMZVVUEZZIFB-XARGGIHNSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000473815517 852149260 /nfs/dbraw/zinc/14/92/60/852149260.db2.gz DCUMZVVUEZZIFB-XARGGIHNSA-N 2 1 383.580 3.762 20 0 GHADMP CN(C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000489278250 852182416 /nfs/dbraw/zinc/18/24/16/852182416.db2.gz QYKGFXFWTSNGPQ-AIZNXBIQSA-N 2 1 398.595 3.829 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1sc(C)nc1CC(C)C ZINC000473840236 852227236 /nfs/dbraw/zinc/22/72/36/852227236.db2.gz CILPZDPSOSVFLY-KRWDZBQOSA-N 2 1 395.617 3.530 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000506921298 852337643 /nfs/dbraw/zinc/33/76/43/852337643.db2.gz IBISJQNUBVXCRU-QWFCFKBJSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506946795 852392634 /nfs/dbraw/zinc/39/26/34/852392634.db2.gz BWVBXQYWBSPCIM-MLBCHFTJSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506946795 852392642 /nfs/dbraw/zinc/39/26/42/852392642.db2.gz BWVBXQYWBSPCIM-MLBCHFTJSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506946795 852392650 /nfs/dbraw/zinc/39/26/50/852392650.db2.gz BWVBXQYWBSPCIM-MLBCHFTJSA-N 2 1 392.632 3.649 20 0 GHADMP CC[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000516384797 852498854 /nfs/dbraw/zinc/49/88/54/852498854.db2.gz HRDRSNIDFWSELR-DEOSSOPVSA-N 2 1 391.559 3.849 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426046173 852522779 /nfs/dbraw/zinc/52/27/79/852522779.db2.gz XKYHPWLRVFLFHD-YADHBBJMSA-N 2 1 387.955 3.845 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)c2)CC1 ZINC000425665615 852570176 /nfs/dbraw/zinc/57/01/76/852570176.db2.gz WALJHHGKRLKRED-RBBKRZOGSA-N 2 1 384.568 3.519 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000489850756 852607523 /nfs/dbraw/zinc/60/75/23/852607523.db2.gz VCJFTCTZWWDUEL-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC001127072473 852643992 /nfs/dbraw/zinc/64/39/92/852643992.db2.gz OXFDBJZCNKMQIL-YCAMKHIRSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC001127072473 852643994 /nfs/dbraw/zinc/64/39/94/852643994.db2.gz OXFDBJZCNKMQIL-YCAMKHIRSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001127072473 852643998 /nfs/dbraw/zinc/64/39/98/852643998.db2.gz OXFDBJZCNKMQIL-YCAMKHIRSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC001127072328 852652652 /nfs/dbraw/zinc/65/26/52/852652652.db2.gz OXFDBJZCNKMQIL-MOUTVQLLSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001127072328 852652658 /nfs/dbraw/zinc/65/26/58/852652658.db2.gz OXFDBJZCNKMQIL-MOUTVQLLSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001127072328 852652664 /nfs/dbraw/zinc/65/26/64/852652664.db2.gz OXFDBJZCNKMQIL-MOUTVQLLSA-N 2 1 397.607 3.723 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000437070062 852715542 /nfs/dbraw/zinc/71/55/42/852715542.db2.gz SNECOKDDDMLKQZ-XLIONFOSSA-N 2 1 383.502 3.761 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000604643779 862391322 /nfs/dbraw/zinc/39/13/22/862391322.db2.gz APYAXHHOTAPSMI-UWJYYQICSA-N 2 1 398.526 3.522 20 0 GHADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516660956 852831735 /nfs/dbraw/zinc/83/17/35/852831735.db2.gz INPMFDGLSZSKTB-FQEVSTJZSA-N 2 1 392.547 3.653 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000507439269 852915289 /nfs/dbraw/zinc/91/52/89/852915289.db2.gz CIHRAMMKMWRFBI-QNWVGRARSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507439269 852915296 /nfs/dbraw/zinc/91/52/96/852915296.db2.gz CIHRAMMKMWRFBI-QNWVGRARSA-N 2 1 392.547 3.549 20 0 GHADMP CN(C)C(=O)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507469794 852942604 /nfs/dbraw/zinc/94/26/04/852942604.db2.gz LEGKUMWPOLUCDO-XQUALCHDSA-N 2 1 391.559 3.706 20 0 GHADMP CCc1cccnc1[C@@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000507490844 852971826 /nfs/dbraw/zinc/97/18/26/852971826.db2.gz AOOPSLAYPZNZOQ-OAQYLSRUSA-N 2 1 380.580 3.893 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000507652329 853139057 /nfs/dbraw/zinc/13/90/57/853139057.db2.gz YNVBEFMBMPKPTJ-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473880922 853306763 /nfs/dbraw/zinc/30/67/63/853306763.db2.gz YNHRUTANGQPZFQ-UNMCSNQZSA-N 2 1 386.584 3.729 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536262616 853342688 /nfs/dbraw/zinc/34/26/88/853342688.db2.gz GVRSTKAAMAJEMT-ZRBLBEILSA-N 2 1 377.532 3.603 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536262616 853342701 /nfs/dbraw/zinc/34/27/01/853342701.db2.gz GVRSTKAAMAJEMT-ZRBLBEILSA-N 2 1 377.532 3.603 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536262616 853342712 /nfs/dbraw/zinc/34/27/12/853342712.db2.gz GVRSTKAAMAJEMT-ZRBLBEILSA-N 2 1 377.532 3.603 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536262616 853342736 /nfs/dbraw/zinc/34/27/36/853342736.db2.gz GVRSTKAAMAJEMT-ZRBLBEILSA-N 2 1 377.532 3.603 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377051 853407014 /nfs/dbraw/zinc/40/70/14/853407014.db2.gz AKHPBYINEAQOHZ-JOCHJYFZSA-N 2 1 387.593 3.551 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623862423 862463086 /nfs/dbraw/zinc/46/30/86/862463086.db2.gz SYCUNYLIMKQXDR-KRWDZBQOSA-N 2 1 382.390 3.826 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000439215801 853434429 /nfs/dbraw/zinc/43/44/29/853434429.db2.gz WCEZXXUEBXZREL-PMOQBDJRSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000439215801 853434440 /nfs/dbraw/zinc/43/44/40/853434440.db2.gz WCEZXXUEBXZREL-PMOQBDJRSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000439215801 853434449 /nfs/dbraw/zinc/43/44/49/853434449.db2.gz WCEZXXUEBXZREL-PMOQBDJRSA-N 2 1 398.595 3.829 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473885666 853499114 /nfs/dbraw/zinc/49/91/14/853499114.db2.gz OCCQUYDXUUPHBD-SESVDKBCSA-N 2 1 398.551 3.749 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473885666 853499119 /nfs/dbraw/zinc/49/91/19/853499119.db2.gz OCCQUYDXUUPHBD-SESVDKBCSA-N 2 1 398.551 3.749 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN(C2CC[NH+](CC4CC4)CC2)CC3)cs1 ZINC001168377623 853635364 /nfs/dbraw/zinc/63/53/64/853635364.db2.gz FKRUYBJJTSHDOG-UHFFFAOYSA-N 2 1 388.625 3.756 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000604790243 862487153 /nfs/dbraw/zinc/48/71/53/862487153.db2.gz IANQLEWSZBMSKD-WOJBJXKFSA-N 2 1 391.559 3.775 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000604790243 862487155 /nfs/dbraw/zinc/48/71/55/862487155.db2.gz IANQLEWSZBMSKD-WOJBJXKFSA-N 2 1 391.559 3.775 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570925125 853672099 /nfs/dbraw/zinc/67/20/99/853672099.db2.gz FEUOENLKOMVKTE-ZEQRLZLVSA-N 2 1 391.559 3.537 20 0 GHADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000570931518 853675167 /nfs/dbraw/zinc/67/51/67/853675167.db2.gz TWZJVQBMYGNXSL-SKWUIDRYSA-N 2 1 397.485 3.593 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000517373115 853722069 /nfs/dbraw/zinc/72/20/69/853722069.db2.gz DGLYHTPWHSBHBO-IRXDYDNUSA-N 2 1 376.438 3.576 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407733 853870641 /nfs/dbraw/zinc/87/06/41/853870641.db2.gz KCTBEUBZFNFMDK-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407733 853870649 /nfs/dbraw/zinc/87/06/49/853870649.db2.gz KCTBEUBZFNFMDK-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407733 853870655 /nfs/dbraw/zinc/87/06/55/853870655.db2.gz KCTBEUBZFNFMDK-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP O=C(c1ccco1)N1CCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167989171 853915894 /nfs/dbraw/zinc/91/58/94/853915894.db2.gz YEYSMEPOPBANLP-WCRBZPEASA-N 2 1 397.563 3.756 20 0 GHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520177972 853936095 /nfs/dbraw/zinc/93/60/95/853936095.db2.gz STUHCSMWHYZNHT-FQEVSTJZSA-N 2 1 381.520 3.608 20 0 GHADMP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1C ZINC000520405765 854176260 /nfs/dbraw/zinc/17/62/60/854176260.db2.gz VSIXBEMLFDTYBN-RPWUZVMVSA-N 2 1 378.560 3.994 20 0 GHADMP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1C ZINC000520405765 854176265 /nfs/dbraw/zinc/17/62/65/854176265.db2.gz VSIXBEMLFDTYBN-RPWUZVMVSA-N 2 1 378.560 3.994 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCC(C)(C)C1CC1 ZINC000458863353 854249759 /nfs/dbraw/zinc/24/97/59/854249759.db2.gz MJMXIRDFFTWNGB-UHFFFAOYSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(c3ncc[nH]3)CC2)cc1 ZINC000588276414 854265876 /nfs/dbraw/zinc/26/58/76/854265876.db2.gz VJOGFNRMPRGMJJ-SFHVURJKSA-N 2 1 395.551 3.873 20 0 GHADMP CCc1ccc(-c2noc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000588710042 854368702 /nfs/dbraw/zinc/36/87/02/854368702.db2.gz PBMDEXPLOLNHDM-HDICACEKSA-N 2 1 398.551 3.620 20 0 GHADMP CCc1ccc(-c2noc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000588710042 854368708 /nfs/dbraw/zinc/36/87/08/854368708.db2.gz PBMDEXPLOLNHDM-HDICACEKSA-N 2 1 398.551 3.620 20 0 GHADMP COCCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000282495315 862557742 /nfs/dbraw/zinc/55/77/42/862557742.db2.gz XUQVDKLMCSQIPC-DHIUTWEWSA-N 2 1 386.511 3.650 20 0 GHADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994431 854436895 /nfs/dbraw/zinc/43/68/95/854436895.db2.gz CYUJEKLKOUNGFD-KWVUDZMESA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994431 854436898 /nfs/dbraw/zinc/43/68/98/854436898.db2.gz CYUJEKLKOUNGFD-KWVUDZMESA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994431 854436901 /nfs/dbraw/zinc/43/69/01/854436901.db2.gz CYUJEKLKOUNGFD-KWVUDZMESA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994431 854436904 /nfs/dbraw/zinc/43/69/04/854436904.db2.gz CYUJEKLKOUNGFD-KWVUDZMESA-N 2 1 377.573 3.769 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000572480990 854517717 /nfs/dbraw/zinc/51/77/17/854517717.db2.gz JRKASORPFWLCHG-ZEQRLZLVSA-N 2 1 391.559 3.780 20 0 GHADMP O=C(C1CCC1)N(CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000567851489 862576492 /nfs/dbraw/zinc/57/64/92/862576492.db2.gz LVERZKYCXFTRAZ-JOCHJYFZSA-N 2 1 395.591 3.954 20 0 GHADMP O=C(C1CCC1)N(CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000567851489 862576496 /nfs/dbraw/zinc/57/64/96/862576496.db2.gz LVERZKYCXFTRAZ-JOCHJYFZSA-N 2 1 395.591 3.954 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441431345 854652707 /nfs/dbraw/zinc/65/27/07/854652707.db2.gz BOLTZAGUNAXGLI-WBVHZDCISA-N 2 1 387.351 3.541 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441431345 854652714 /nfs/dbraw/zinc/65/27/14/854652714.db2.gz BOLTZAGUNAXGLI-WBVHZDCISA-N 2 1 387.351 3.541 20 0 GHADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000567851377 862592586 /nfs/dbraw/zinc/59/25/86/862592586.db2.gz DFPUEWMBTISKNZ-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000567851377 862592594 /nfs/dbraw/zinc/59/25/94/862592594.db2.gz DFPUEWMBTISKNZ-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP CCn1c(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)nc2cc(F)ccc21 ZINC000072694655 854729350 /nfs/dbraw/zinc/72/93/50/854729350.db2.gz OCGOUVIYLOQWIB-UHFFFAOYSA-N 2 1 376.520 3.518 20 0 GHADMP CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389957 854835873 /nfs/dbraw/zinc/83/58/73/854835873.db2.gz YZSHRUWXBDBNQG-FQEVSTJZSA-N 2 1 377.573 3.725 20 0 GHADMP CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389957 854835878 /nfs/dbraw/zinc/83/58/78/854835878.db2.gz YZSHRUWXBDBNQG-FQEVSTJZSA-N 2 1 377.573 3.725 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168390024 854839219 /nfs/dbraw/zinc/83/92/19/854839219.db2.gz DOVADJXDQUYREB-ZVDOUQERSA-N 2 1 375.601 3.656 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC001168390024 854839225 /nfs/dbraw/zinc/83/92/25/854839225.db2.gz DOVADJXDQUYREB-ZVDOUQERSA-N 2 1 375.601 3.656 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000589995491 855218570 /nfs/dbraw/zinc/21/85/70/855218570.db2.gz XMBFMVAJNFWONR-HSZRJFAPSA-N 2 1 379.548 3.722 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000589995491 855218573 /nfs/dbraw/zinc/21/85/73/855218573.db2.gz XMBFMVAJNFWONR-HSZRJFAPSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000589995491 855218576 /nfs/dbraw/zinc/21/85/76/855218576.db2.gz XMBFMVAJNFWONR-HSZRJFAPSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000589995491 855218577 /nfs/dbraw/zinc/21/85/77/855218577.db2.gz XMBFMVAJNFWONR-HSZRJFAPSA-N 2 1 379.548 3.722 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC1 ZINC000590155675 855301152 /nfs/dbraw/zinc/30/11/52/855301152.db2.gz WWIUJHBQTPHLQQ-FQEVSTJZSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000590155675 855301159 /nfs/dbraw/zinc/30/11/59/855301159.db2.gz WWIUJHBQTPHLQQ-FQEVSTJZSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000590155675 855301166 /nfs/dbraw/zinc/30/11/66/855301166.db2.gz WWIUJHBQTPHLQQ-FQEVSTJZSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000590161926 855304938 /nfs/dbraw/zinc/30/49/38/855304938.db2.gz VJVDLOXRPGKAQU-JOCHJYFZSA-N 2 1 386.584 3.585 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)O[C@@H](C)C2 ZINC000590798616 855592412 /nfs/dbraw/zinc/59/24/12/855592412.db2.gz LHKIVILHTBMMRE-AZUAARDMSA-N 2 1 380.532 3.673 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)O[C@@H](C)C2 ZINC000590798616 855592424 /nfs/dbraw/zinc/59/24/24/855592424.db2.gz LHKIVILHTBMMRE-AZUAARDMSA-N 2 1 380.532 3.673 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000590818857 855620079 /nfs/dbraw/zinc/62/00/79/855620079.db2.gz AWVVHZNJZXHAAR-MRXNPFEDSA-N 2 1 389.367 3.785 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[NH+](C)C2CCCC2)cc1 ZINC000520550969 855640073 /nfs/dbraw/zinc/64/00/73/855640073.db2.gz UYMVJBIPRRJEAR-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000520550969 855640077 /nfs/dbraw/zinc/64/00/77/855640077.db2.gz UYMVJBIPRRJEAR-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000520550969 855640080 /nfs/dbraw/zinc/64/00/80/855640080.db2.gz UYMVJBIPRRJEAR-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180998074 862711603 /nfs/dbraw/zinc/71/16/03/862711603.db2.gz OEGXQUYIAMIWIT-FQEVSTJZSA-N 2 1 378.472 3.928 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Oc3ccccc3)o2)C1 ZINC000180998074 862711613 /nfs/dbraw/zinc/71/16/13/862711613.db2.gz OEGXQUYIAMIWIT-FQEVSTJZSA-N 2 1 378.472 3.928 20 0 GHADMP CCOc1cc(Cl)ccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000469641566 855823813 /nfs/dbraw/zinc/82/38/13/855823813.db2.gz XOCYUESHKWLHGH-KRWDZBQOSA-N 2 1 396.963 3.619 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121809 862732480 /nfs/dbraw/zinc/73/24/80/862732480.db2.gz LYUFFTGQUVOVSJ-ONTIZHBOSA-N 2 1 393.641 3.687 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121809 862732487 /nfs/dbraw/zinc/73/24/87/862732487.db2.gz LYUFFTGQUVOVSJ-ONTIZHBOSA-N 2 1 393.641 3.687 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121809 862732493 /nfs/dbraw/zinc/73/24/93/862732493.db2.gz LYUFFTGQUVOVSJ-ONTIZHBOSA-N 2 1 393.641 3.687 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000063313323 855904836 /nfs/dbraw/zinc/90/48/36/855904836.db2.gz VOFFXQSIQZYBQI-HXUWFJFHSA-N 2 1 378.520 3.653 20 0 GHADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)c2ccccc2)CC1 ZINC000573233085 856015901 /nfs/dbraw/zinc/01/59/01/856015901.db2.gz XFHNHGSQNMVYLI-KRWDZBQOSA-N 2 1 383.483 3.845 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465799192 856066311 /nfs/dbraw/zinc/06/63/11/856066311.db2.gz UDPBINHDWLNQHZ-XLIONFOSSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465799192 856066315 /nfs/dbraw/zinc/06/63/15/856066315.db2.gz UDPBINHDWLNQHZ-XLIONFOSSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465799192 856066319 /nfs/dbraw/zinc/06/63/19/856066319.db2.gz UDPBINHDWLNQHZ-XLIONFOSSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1Cl ZINC000591545333 856100860 /nfs/dbraw/zinc/10/08/60/856100860.db2.gz BRVCQRODJWWIJB-XLIONFOSSA-N 2 1 392.975 3.603 20 0 GHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000542840844 856108189 /nfs/dbraw/zinc/10/81/89/856108189.db2.gz UEOLKJBMEWWCFH-DZGCQCFKSA-N 2 1 384.364 3.942 20 0 GHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000542840844 856108193 /nfs/dbraw/zinc/10/81/93/856108193.db2.gz UEOLKJBMEWWCFH-DZGCQCFKSA-N 2 1 384.364 3.942 20 0 GHADMP CSC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542844591 856121418 /nfs/dbraw/zinc/12/14/18/856121418.db2.gz UGFVFROYEPJRMM-GOSISDBHSA-N 2 1 389.531 3.727 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000674308153 856153311 /nfs/dbraw/zinc/15/33/11/856153311.db2.gz RQVNNPLKHFIQJK-UYAOXDASSA-N 2 1 383.536 3.904 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591579589 856161571 /nfs/dbraw/zinc/16/15/71/856161571.db2.gz XRFZLFFVLLIHIC-DHIUTWEWSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)[C@@H]1c1cccs1 ZINC000905132304 856181015 /nfs/dbraw/zinc/18/10/15/856181015.db2.gz MCMBGRFRGUTSRQ-RZUBCFFCSA-N 2 1 388.577 3.688 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)[C@@H]1c1cccs1 ZINC000905132304 856181022 /nfs/dbraw/zinc/18/10/22/856181022.db2.gz MCMBGRFRGUTSRQ-RZUBCFFCSA-N 2 1 388.577 3.688 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000172601749 856274682 /nfs/dbraw/zinc/27/46/82/856274682.db2.gz NMCKITQUHIGULF-CVDCTZTESA-N 2 1 379.548 3.731 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000172601749 856274692 /nfs/dbraw/zinc/27/46/92/856274692.db2.gz NMCKITQUHIGULF-CVDCTZTESA-N 2 1 379.548 3.731 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000172601749 856274699 /nfs/dbraw/zinc/27/46/99/856274699.db2.gz NMCKITQUHIGULF-CVDCTZTESA-N 2 1 379.548 3.731 20 0 GHADMP [NH3+][C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(Cl)c1 ZINC000168788418 856571928 /nfs/dbraw/zinc/57/19/28/856571928.db2.gz ZZLGPVAJLBSZHF-OTYNDTSQSA-N 2 1 383.923 3.652 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000074352688 856646287 /nfs/dbraw/zinc/64/62/87/856646287.db2.gz QENNZWLGNYIWLK-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000658136510 856773623 /nfs/dbraw/zinc/77/36/23/856773623.db2.gz HIONKUZBVIPDCE-HNAYVOBHSA-N 2 1 398.938 3.644 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCCC(F)(F)C3)CC2)CC1 ZINC000573979616 856838590 /nfs/dbraw/zinc/83/85/90/856838590.db2.gz JUSXBPVGBMXQBG-QGZVFWFLSA-N 2 1 385.543 3.515 20 0 GHADMP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000064508664 857172052 /nfs/dbraw/zinc/17/20/52/857172052.db2.gz DRXQORRAVZICAW-QFIPXVFZSA-N 2 1 383.580 3.864 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000057847026 857243015 /nfs/dbraw/zinc/24/30/15/857243015.db2.gz CLZZEYHPPJHMPX-UHFFFAOYSA-N 2 1 381.948 3.649 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccc(C)cc4C)C3)CC2)CC1 ZINC000574169317 857311540 /nfs/dbraw/zinc/31/15/40/857311540.db2.gz CHRRZNIFRKMCSC-QFIPXVFZSA-N 2 1 397.607 3.816 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181492814 862900417 /nfs/dbraw/zinc/90/04/17/862900417.db2.gz VVLYMSVUIURIGR-INIZCTEOSA-N 2 1 398.389 3.526 20 0 GHADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)n2)c1 ZINC000521055190 857549739 /nfs/dbraw/zinc/54/97/39/857549739.db2.gz ZGKHCAZYENFHOI-LJQANCHMSA-N 2 1 392.478 3.901 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCO2)cc1 ZINC001168586681 857577066 /nfs/dbraw/zinc/57/70/66/857577066.db2.gz JXNLFUPIQXCQTO-LADGPHEKSA-N 2 1 396.531 3.537 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000675750158 857586759 /nfs/dbraw/zinc/58/67/59/857586759.db2.gz RQFHMAKENXYYNT-RTBURBONSA-N 2 1 390.535 3.745 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786985 857613353 /nfs/dbraw/zinc/61/33/53/857613353.db2.gz PEGHMNNOBWSPRI-PZJWPPBQSA-N 2 1 375.520 3.830 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786947 857613370 /nfs/dbraw/zinc/61/33/70/857613370.db2.gz MMLDPXBKTBWNPS-QTJGBDASSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786947 857613371 /nfs/dbraw/zinc/61/33/71/857613371.db2.gz MMLDPXBKTBWNPS-QTJGBDASSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786947 857613373 /nfs/dbraw/zinc/61/33/73/857613373.db2.gz MMLDPXBKTBWNPS-QTJGBDASSA-N 2 1 387.612 3.625 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CCO2)cc1 ZINC001168589222 857652521 /nfs/dbraw/zinc/65/25/21/857652521.db2.gz LPGUYXDEMQYGFN-UPVQGACJSA-N 2 1 396.531 3.537 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063777810 857657578 /nfs/dbraw/zinc/65/75/78/857657578.db2.gz JNXHKCZLHOJNDH-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000521163182 857687019 /nfs/dbraw/zinc/68/70/19/857687019.db2.gz GRTJLGQPSVTOEF-NFBKMPQASA-N 2 1 394.563 3.643 20 0 GHADMP c1ncn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000679841401 857718471 /nfs/dbraw/zinc/71/84/71/857718471.db2.gz VVYZBSDHIKEQRU-XZOQPEGZSA-N 2 1 387.531 3.710 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@H]1C ZINC000442613657 857980943 /nfs/dbraw/zinc/98/09/43/857980943.db2.gz XAIDHTJUWXFDIF-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000486708508 858012665 /nfs/dbraw/zinc/01/26/65/858012665.db2.gz JZPCPSAMUFXBBF-LADGPHEKSA-N 2 1 391.559 3.875 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2oc1=O ZINC000624204622 862981593 /nfs/dbraw/zinc/98/15/93/862981593.db2.gz CZOWVIXFXKYLIF-NJDAHSKKSA-N 2 1 391.515 3.522 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)c2)CCO1 ZINC000442787844 858133737 /nfs/dbraw/zinc/13/37/37/858133737.db2.gz DSGHKAJREUEBTI-XLIONFOSSA-N 2 1 375.516 3.646 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)c2)CCO1 ZINC000442787844 858133745 /nfs/dbraw/zinc/13/37/45/858133745.db2.gz DSGHKAJREUEBTI-XLIONFOSSA-N 2 1 375.516 3.646 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)c2)CCO1 ZINC000442787840 858133794 /nfs/dbraw/zinc/13/37/94/858133794.db2.gz DSGHKAJREUEBTI-PXNSSMCTSA-N 2 1 375.516 3.646 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)c2)CCO1 ZINC000442787840 858133803 /nfs/dbraw/zinc/13/38/03/858133803.db2.gz DSGHKAJREUEBTI-PXNSSMCTSA-N 2 1 375.516 3.646 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)cc2)CC1 ZINC000521595305 858158284 /nfs/dbraw/zinc/15/82/84/858158284.db2.gz CTAAPMVVTGTFBN-QFIPXVFZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000442859584 858180487 /nfs/dbraw/zinc/18/04/87/858180487.db2.gz ANWRGXCAWUSLLO-GJZGRUSLSA-N 2 1 388.383 3.765 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1(C)C ZINC000442869561 858186975 /nfs/dbraw/zinc/18/69/75/858186975.db2.gz DPVOLEWPUVUCJG-JOCHJYFZSA-N 2 1 387.518 3.864 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1(C)C ZINC000442876150 858191197 /nfs/dbraw/zinc/19/11/97/858191197.db2.gz PIKQUHVNUPHMPV-MJGOQNOKSA-N 2 1 383.502 3.957 20 0 GHADMP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594606633 858241088 /nfs/dbraw/zinc/24/10/88/858241088.db2.gz MRAJOXGNLCCDMA-LEWJYISDSA-N 2 1 380.573 3.512 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@H+](CC4CC4)C3)c2c1C ZINC000594709694 858261577 /nfs/dbraw/zinc/26/15/77/858261577.db2.gz SYMUYUMNWAZOPR-KRWDZBQOSA-N 2 1 385.581 3.800 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@@H+](CC4CC4)C3)c2c1C ZINC000594709694 858261582 /nfs/dbraw/zinc/26/15/82/858261582.db2.gz SYMUYUMNWAZOPR-KRWDZBQOSA-N 2 1 385.581 3.800 20 0 GHADMP CC(C)[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+]1CCCCC1 ZINC000521720295 858270934 /nfs/dbraw/zinc/27/09/34/858270934.db2.gz RUAZKGMVEJWODF-HSZRJFAPSA-N 2 1 383.580 3.546 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000181768782 863006254 /nfs/dbraw/zinc/00/62/54/863006254.db2.gz DBEDDKWAMAIAJV-IUODEOHRSA-N 2 1 379.854 3.843 20 0 GHADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000594927273 858306554 /nfs/dbraw/zinc/30/65/54/858306554.db2.gz UZSLJHNQGOQIDT-RSACRBQFSA-N 2 1 398.469 3.876 20 0 GHADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000594927273 858306560 /nfs/dbraw/zinc/30/65/60/858306560.db2.gz UZSLJHNQGOQIDT-RSACRBQFSA-N 2 1 398.469 3.876 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067398 858334487 /nfs/dbraw/zinc/33/44/87/858334487.db2.gz GLXCAUHWJOGVME-NWDGAFQWSA-N 2 1 377.838 3.747 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443103964 858362398 /nfs/dbraw/zinc/36/23/98/858362398.db2.gz RLJRZEIKBNPSKI-STZQEDGTSA-N 2 1 375.601 3.943 20 0 GHADMP CN(C)[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608611 863014909 /nfs/dbraw/zinc/01/49/09/863014909.db2.gz SDXAUPZJOVNGTJ-GGAORHGYSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608611 863014919 /nfs/dbraw/zinc/01/49/19/863014919.db2.gz SDXAUPZJOVNGTJ-GGAORHGYSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608611 863014927 /nfs/dbraw/zinc/01/49/27/863014927.db2.gz SDXAUPZJOVNGTJ-GGAORHGYSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000595235329 858448318 /nfs/dbraw/zinc/44/83/18/858448318.db2.gz GEMMSEIDYXQTNU-LEWJYISDSA-N 2 1 386.499 3.729 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCC(c3ccccc3)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000575046247 858503100 /nfs/dbraw/zinc/50/31/00/858503100.db2.gz IBZQFOAWFJMSDH-VNMGMYBJSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000575097833 858585098 /nfs/dbraw/zinc/58/50/98/858585098.db2.gz PPXKWAMECLTOSJ-BVSLBCMMSA-N 2 1 377.532 3.776 20 0 GHADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000466218180 858734016 /nfs/dbraw/zinc/73/40/16/858734016.db2.gz RQGAIUGLMHKSQY-WZONZLPQSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000466218180 858734025 /nfs/dbraw/zinc/73/40/25/858734025.db2.gz RQGAIUGLMHKSQY-WZONZLPQSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000466218180 858734030 /nfs/dbraw/zinc/73/40/30/858734030.db2.gz RQGAIUGLMHKSQY-WZONZLPQSA-N 2 1 398.595 3.733 20 0 GHADMP COc1cc(Cl)ccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000482714112 858786902 /nfs/dbraw/zinc/78/69/02/858786902.db2.gz BZJIWAUKOGWXRM-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000183689713 858798087 /nfs/dbraw/zinc/79/80/87/858798087.db2.gz VLXCMULBDSGETG-YOEHRIQHSA-N 2 1 394.441 3.632 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532206388 881350311 /nfs/dbraw/zinc/35/03/11/881350311.db2.gz OMNHVQYZUGRPEQ-ROUUACIJSA-N 2 1 393.531 3.643 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532206388 881350339 /nfs/dbraw/zinc/35/03/39/881350339.db2.gz OMNHVQYZUGRPEQ-ROUUACIJSA-N 2 1 393.531 3.643 20 0 GHADMP CN(C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126943866 858922018 /nfs/dbraw/zinc/92/20/18/858922018.db2.gz IVVUSTBCTKKCPK-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001126943866 858922022 /nfs/dbraw/zinc/92/20/22/858922022.db2.gz IVVUSTBCTKKCPK-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001126943866 858922025 /nfs/dbraw/zinc/92/20/25/858922025.db2.gz IVVUSTBCTKKCPK-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547761 881361497 /nfs/dbraw/zinc/36/14/97/881361497.db2.gz DBCRVOZKHMDDEZ-FBQMEGEOSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547761 881361514 /nfs/dbraw/zinc/36/15/14/881361514.db2.gz DBCRVOZKHMDDEZ-FBQMEGEOSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547761 881361530 /nfs/dbraw/zinc/36/15/30/881361530.db2.gz DBCRVOZKHMDDEZ-FBQMEGEOSA-N 2 1 387.474 3.978 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)CC[N@H+]1C ZINC000625801172 858937289 /nfs/dbraw/zinc/93/72/89/858937289.db2.gz AUNRLTIMUMQBDE-GFOJFJKKSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[NH+]1C ZINC000625801172 858937298 /nfs/dbraw/zinc/93/72/98/858937298.db2.gz AUNRLTIMUMQBDE-GFOJFJKKSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[NH+]1C ZINC000625801172 858937305 /nfs/dbraw/zinc/93/73/05/858937305.db2.gz AUNRLTIMUMQBDE-GFOJFJKKSA-N 2 1 397.588 3.563 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(c3ccc(Cl)cc3)CC2(C)C)CC1 ZINC000429294256 858956945 /nfs/dbraw/zinc/95/69/45/858956945.db2.gz NZFSUWTVOZBODW-UHFFFAOYSA-N 2 1 393.019 3.657 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000482914726 858964084 /nfs/dbraw/zinc/96/40/84/858964084.db2.gz IZVYRZKPEQQFLM-MOPGFXCFSA-N 2 1 392.613 3.524 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)cc(Cl)c3)C2)ccn1 ZINC000856550822 881367648 /nfs/dbraw/zinc/36/76/48/881367648.db2.gz HVKFIPJDEPWWQD-FQEVSTJZSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)cc(Cl)c3)C2)ccn1 ZINC000856550822 881367660 /nfs/dbraw/zinc/36/76/60/881367660.db2.gz HVKFIPJDEPWWQD-FQEVSTJZSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)ccn1 ZINC000856550822 881367680 /nfs/dbraw/zinc/36/76/80/881367680.db2.gz HVKFIPJDEPWWQD-FQEVSTJZSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)ccn1 ZINC000856550822 881367697 /nfs/dbraw/zinc/36/76/97/881367697.db2.gz HVKFIPJDEPWWQD-FQEVSTJZSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccsc3)C2)ccn1 ZINC000856551097 881368709 /nfs/dbraw/zinc/36/87/09/881368709.db2.gz KSEXZBOYWCAZOW-HXUWFJFHSA-N 2 1 397.548 3.638 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)ccn1 ZINC000856551097 881368728 /nfs/dbraw/zinc/36/87/28/881368728.db2.gz KSEXZBOYWCAZOW-HXUWFJFHSA-N 2 1 397.548 3.638 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)ccn1 ZINC000856551097 881368745 /nfs/dbraw/zinc/36/87/45/881368745.db2.gz KSEXZBOYWCAZOW-HXUWFJFHSA-N 2 1 397.548 3.638 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466301953 859058429 /nfs/dbraw/zinc/05/84/29/859058429.db2.gz ZIXZUIRTUNSBJL-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466301953 859058435 /nfs/dbraw/zinc/05/84/35/859058435.db2.gz ZIXZUIRTUNSBJL-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466301953 859058443 /nfs/dbraw/zinc/05/84/43/859058443.db2.gz ZIXZUIRTUNSBJL-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(OC(F)F)c3)C2)ccn1 ZINC000856552515 881377616 /nfs/dbraw/zinc/37/76/16/881377616.db2.gz DGOQWQAVSSMXFT-HXUWFJFHSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(OC(F)F)c3)C2)ccn1 ZINC000856552515 881377636 /nfs/dbraw/zinc/37/76/36/881377636.db2.gz DGOQWQAVSSMXFT-HXUWFJFHSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)ccn1 ZINC000856552515 881377659 /nfs/dbraw/zinc/37/76/59/881377659.db2.gz DGOQWQAVSSMXFT-HXUWFJFHSA-N 2 1 391.462 3.788 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000466307859 859070031 /nfs/dbraw/zinc/07/00/31/859070031.db2.gz ORUZYXBDNGEFQX-CEMLEFRQSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000466307859 859070040 /nfs/dbraw/zinc/07/00/40/859070040.db2.gz ORUZYXBDNGEFQX-CEMLEFRQSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000466307859 859070052 /nfs/dbraw/zinc/07/00/52/859070052.db2.gz ORUZYXBDNGEFQX-CEMLEFRQSA-N 2 1 390.616 3.547 20 0 GHADMP C[NH+](C)CC1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000185636818 859108879 /nfs/dbraw/zinc/10/88/79/859108879.db2.gz QSLYQCCLNZFHCJ-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543282049 859123824 /nfs/dbraw/zinc/12/38/24/859123824.db2.gz XWDCTRLINGTMMP-NSHGMRRFSA-N 2 1 386.584 3.872 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543282049 859123836 /nfs/dbraw/zinc/12/38/36/859123836.db2.gz XWDCTRLINGTMMP-NSHGMRRFSA-N 2 1 386.584 3.872 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)ccc1OC ZINC000856555469 881397999 /nfs/dbraw/zinc/39/79/99/881397999.db2.gz PMHFUQQVYKXZMF-NRFANRHFSA-N 2 1 399.535 3.594 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)ccc1OC ZINC000856555469 881398048 /nfs/dbraw/zinc/39/80/48/881398048.db2.gz PMHFUQQVYKXZMF-NRFANRHFSA-N 2 1 399.535 3.594 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)ccc1OC ZINC000856555469 881398079 /nfs/dbraw/zinc/39/80/79/881398079.db2.gz PMHFUQQVYKXZMF-NRFANRHFSA-N 2 1 399.535 3.594 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1F ZINC000597057569 859254192 /nfs/dbraw/zinc/25/41/92/859254192.db2.gz GOWDJFADSXNGEE-IHWFROFDSA-N 2 1 382.479 3.898 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000597057569 859254199 /nfs/dbraw/zinc/25/41/99/859254199.db2.gz GOWDJFADSXNGEE-IHWFROFDSA-N 2 1 382.479 3.898 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000466742022 859431160 /nfs/dbraw/zinc/43/11/60/859431160.db2.gz WAZLASQZPANOTQ-UHFFFAOYSA-N 2 1 375.557 3.571 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000114020664 859451577 /nfs/dbraw/zinc/45/15/77/859451577.db2.gz OVERWBMGZZKXTP-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP COc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856558805 881431841 /nfs/dbraw/zinc/43/18/41/881431841.db2.gz LREQWAFXVRKZNN-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856558805 881431849 /nfs/dbraw/zinc/43/18/49/881431849.db2.gz LREQWAFXVRKZNN-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856558805 881431860 /nfs/dbraw/zinc/43/18/60/881431860.db2.gz LREQWAFXVRKZNN-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856558805 881431868 /nfs/dbraw/zinc/43/18/68/881431868.db2.gz LREQWAFXVRKZNN-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000895479558 859565211 /nfs/dbraw/zinc/56/52/11/859565211.db2.gz QPHUHBKRTBYNAW-INIZCTEOSA-N 2 1 394.357 3.619 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479558 859565217 /nfs/dbraw/zinc/56/52/17/859565217.db2.gz QPHUHBKRTBYNAW-INIZCTEOSA-N 2 1 394.357 3.619 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000483735922 859575316 /nfs/dbraw/zinc/57/53/16/859575316.db2.gz YXHKACWOMRZXOZ-RDPSFJRHSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735922 859575319 /nfs/dbraw/zinc/57/53/19/859575319.db2.gz YXHKACWOMRZXOZ-RDPSFJRHSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735922 859575323 /nfs/dbraw/zinc/57/53/23/859575323.db2.gz YXHKACWOMRZXOZ-RDPSFJRHSA-N 2 1 377.576 3.586 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417577025 859603025 /nfs/dbraw/zinc/60/30/25/859603025.db2.gz VVTMPKUGKYNMMC-GDBMZVCRSA-N 2 1 399.366 3.527 20 0 GHADMP COc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1OC ZINC000856561351 881443166 /nfs/dbraw/zinc/44/31/66/881443166.db2.gz NSXVJMQOCXBQLE-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1OC ZINC000856561351 881443305 /nfs/dbraw/zinc/44/33/05/881443305.db2.gz NSXVJMQOCXBQLE-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1OC ZINC000856561351 881443399 /nfs/dbraw/zinc/44/33/99/881443399.db2.gz NSXVJMQOCXBQLE-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(F)cccc3F)C2)ccn1 ZINC000856560927 881445164 /nfs/dbraw/zinc/44/51/64/881445164.db2.gz KRWKASJZWPSWIH-SFHVURJKSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(F)cccc3F)C2)ccn1 ZINC000856560927 881445170 /nfs/dbraw/zinc/44/51/70/881445170.db2.gz KRWKASJZWPSWIH-SFHVURJKSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(F)cccc3F)C2)ccn1 ZINC000856560927 881445172 /nfs/dbraw/zinc/44/51/72/881445172.db2.gz KRWKASJZWPSWIH-SFHVURJKSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)ccn1 ZINC000856560927 881445177 /nfs/dbraw/zinc/44/51/77/881445177.db2.gz KRWKASJZWPSWIH-SFHVURJKSA-N 2 1 375.463 3.853 20 0 GHADMP O=C(C1CC[NH+](C2CC2)CC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000194694143 859644643 /nfs/dbraw/zinc/64/46/43/859644643.db2.gz WSSZMCPLFODETM-UHFFFAOYSA-N 2 1 395.591 3.908 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(N(C)c4ccccc4)cc3)C2)CC1 ZINC000611268904 859674997 /nfs/dbraw/zinc/67/49/97/859674997.db2.gz BSNILPHSQVGMBK-DEOSSOPVSA-N 2 1 378.564 3.666 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764959940 859709409 /nfs/dbraw/zinc/70/94/09/859709409.db2.gz BEPZEKWGCVWZBF-HZPDHXFCSA-N 2 1 388.524 3.988 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc2c(c1)CCO2 ZINC000765010704 859735910 /nfs/dbraw/zinc/73/59/10/859735910.db2.gz QTYNQMZCYMDXSP-DEOSSOPVSA-N 2 1 393.575 4.000 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000466501840 859759598 /nfs/dbraw/zinc/75/95/98/859759598.db2.gz GIAWLRSNKRONHR-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000895682575 859814107 /nfs/dbraw/zinc/81/41/07/859814107.db2.gz HFRPUNQDZVCJQV-UHFFFAOYSA-N 2 1 377.533 3.522 20 0 GHADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484125767 859816512 /nfs/dbraw/zinc/81/65/12/859816512.db2.gz BPKLFHKGULVAOP-UNMCSNQZSA-N 2 1 390.474 3.966 20 0 GHADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484125767 859816520 /nfs/dbraw/zinc/81/65/20/859816520.db2.gz BPKLFHKGULVAOP-UNMCSNQZSA-N 2 1 390.474 3.966 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000765266616 859883741 /nfs/dbraw/zinc/88/37/41/859883741.db2.gz PIPJKGCTSNKOIJ-WIYYLYMNSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000765266616 859883744 /nfs/dbraw/zinc/88/37/44/859883744.db2.gz PIPJKGCTSNKOIJ-WIYYLYMNSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000765266609 859883948 /nfs/dbraw/zinc/88/39/48/859883948.db2.gz PIPJKGCTSNKOIJ-NQIIRXRSSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000765266609 859883962 /nfs/dbraw/zinc/88/39/62/859883962.db2.gz PIPJKGCTSNKOIJ-NQIIRXRSSA-N 2 1 379.504 3.786 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390509 859887001 /nfs/dbraw/zinc/88/70/01/859887001.db2.gz NJQNSFPUUNBERD-YXPKMTABSA-N 2 1 399.510 3.582 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000484305866 859933620 /nfs/dbraw/zinc/93/36/20/859933620.db2.gz JCFFSRONYWQBNL-YTQUADARSA-N 2 1 396.597 3.650 20 0 GHADMP C[C@@H]1CC([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168033718 859982707 /nfs/dbraw/zinc/98/27/07/859982707.db2.gz NIFHXASIJGTCTL-QVHJCDIPSA-N 2 1 385.596 3.661 20 0 GHADMP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)N1CC[NH+](C)CC1 ZINC000115611522 860058161 /nfs/dbraw/zinc/05/81/61/860058161.db2.gz GCNFZCMVJCUGOD-LJQANCHMSA-N 2 1 377.479 3.586 20 0 GHADMP C[C@H]1CC([NH2+]Cc2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034921 860066062 /nfs/dbraw/zinc/06/60/62/860066062.db2.gz RNXMWJIABSDENF-ROUUACIJSA-N 2 1 393.531 3.573 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000097099908 860143948 /nfs/dbraw/zinc/14/39/48/860143948.db2.gz CVTGWQYMFLXRTI-FQEVSTJZSA-N 2 1 379.548 3.960 20 0 GHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000474468071 860149661 /nfs/dbraw/zinc/14/96/61/860149661.db2.gz HBIFMOXQCHIVQE-VQTJNVASSA-N 2 1 381.564 3.724 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698905 860418884 /nfs/dbraw/zinc/41/88/84/860418884.db2.gz VEQJFFJWYWQIMV-FGSXEWAUSA-N 2 1 377.532 3.909 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698905 860418890 /nfs/dbraw/zinc/41/88/90/860418890.db2.gz VEQJFFJWYWQIMV-FGSXEWAUSA-N 2 1 377.532 3.909 20 0 GHADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000603072435 860457902 /nfs/dbraw/zinc/45/79/02/860457902.db2.gz AHBGYHBUMSLVEJ-CYBMUJFWSA-N 2 1 393.318 3.882 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3OC)C2)ccn1 ZINC000856584193 881554056 /nfs/dbraw/zinc/55/40/56/881554056.db2.gz DUMLHMVPHUCYBT-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3OC)C2)ccn1 ZINC000856584193 881554078 /nfs/dbraw/zinc/55/40/78/881554078.db2.gz DUMLHMVPHUCYBT-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3OC)C2)ccn1 ZINC000856584193 881554094 /nfs/dbraw/zinc/55/40/94/881554094.db2.gz DUMLHMVPHUCYBT-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3OC)C2)ccn1 ZINC000856584193 881554102 /nfs/dbraw/zinc/55/41/02/881554102.db2.gz DUMLHMVPHUCYBT-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)o1 ZINC000598820802 860600334 /nfs/dbraw/zinc/60/03/34/860600334.db2.gz XLSDEYXVGCCGME-UHFFFAOYSA-N 2 1 396.491 3.671 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856593308 881567052 /nfs/dbraw/zinc/56/70/52/881567052.db2.gz NYWVVOWGTBKLNA-BWAGFHJFSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856593308 881567060 /nfs/dbraw/zinc/56/70/60/881567060.db2.gz NYWVVOWGTBKLNA-BWAGFHJFSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856593308 881567068 /nfs/dbraw/zinc/56/70/68/881567068.db2.gz NYWVVOWGTBKLNA-BWAGFHJFSA-N 2 1 375.557 3.582 20 0 GHADMP Clc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-n2cncn2)c1 ZINC000474734403 860692161 /nfs/dbraw/zinc/69/21/61/860692161.db2.gz SOPSUUSXXHQBKQ-LJQANCHMSA-N 2 1 395.938 3.575 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869217 860803548 /nfs/dbraw/zinc/80/35/48/860803548.db2.gz LIJDBBVTIRWWPS-CNNODRBYSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869217 860803550 /nfs/dbraw/zinc/80/35/50/860803550.db2.gz LIJDBBVTIRWWPS-CNNODRBYSA-N 2 1 375.520 3.971 20 0 GHADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000532231484 881583062 /nfs/dbraw/zinc/58/30/62/881583062.db2.gz VVCSYZAXKRMXQZ-SIKLNZKXSA-N 2 1 379.548 3.852 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000192590794 860883164 /nfs/dbraw/zinc/88/31/64/860883164.db2.gz FAYRPRPXFZFBLL-KXBFYZLASA-N 2 1 387.574 3.834 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000192590794 860883172 /nfs/dbraw/zinc/88/31/72/860883172.db2.gz FAYRPRPXFZFBLL-KXBFYZLASA-N 2 1 387.574 3.834 20 0 GHADMP C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120424485 881596230 /nfs/dbraw/zinc/59/62/30/881596230.db2.gz AIOSXJXMIDXWCN-MOPGFXCFSA-N 2 1 380.621 3.649 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000555461145 860951153 /nfs/dbraw/zinc/95/11/53/860951153.db2.gz QWYGLELUUCXVTA-YLJYHZDGSA-N 2 1 386.515 3.659 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000555461145 860951167 /nfs/dbraw/zinc/95/11/67/860951167.db2.gz QWYGLELUUCXVTA-YLJYHZDGSA-N 2 1 386.515 3.659 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446046 861076630 /nfs/dbraw/zinc/07/66/30/861076630.db2.gz OIXLOVBQEXJQMJ-KGLIPLIRSA-N 2 1 390.881 3.795 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443994427 863098044 /nfs/dbraw/zinc/09/80/44/863098044.db2.gz SHDDVDUJHZSBLO-UHFFFAOYSA-N 2 1 399.510 3.650 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000182234541 863159167 /nfs/dbraw/zinc/15/91/67/863159167.db2.gz BPWIZRINPPGOKQ-KBXCAEBGSA-N 2 1 378.438 3.911 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000605646091 863209958 /nfs/dbraw/zinc/20/99/58/863209958.db2.gz BHHJTHSETBSBCD-FQEVSTJZSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000605646091 863209976 /nfs/dbraw/zinc/20/99/76/863209976.db2.gz BHHJTHSETBSBCD-FQEVSTJZSA-N 2 1 377.532 3.629 20 0 GHADMP COC(=O)c1ccccc1OCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000182441937 863229022 /nfs/dbraw/zinc/22/90/22/863229022.db2.gz FDGGSIHVRBIDFQ-INIZCTEOSA-N 2 1 379.460 3.697 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2F)s1 ZINC000482554625 863320724 /nfs/dbraw/zinc/32/07/24/863320724.db2.gz PHEXCTBBZTWLHX-JKSUJKDBSA-N 2 1 389.540 3.792 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482565544 863323023 /nfs/dbraw/zinc/32/30/23/863323023.db2.gz NQAIOUILGMGRPH-SQJMNOBHSA-N 3 1 395.591 3.670 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482565544 863323038 /nfs/dbraw/zinc/32/30/38/863323038.db2.gz NQAIOUILGMGRPH-SQJMNOBHSA-N 3 1 395.591 3.670 20 0 GHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255940 863327179 /nfs/dbraw/zinc/32/71/79/863327179.db2.gz XTHMZCDYGJRFBF-UARRHKHWSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255940 863327189 /nfs/dbraw/zinc/32/71/89/863327189.db2.gz XTHMZCDYGJRFBF-UARRHKHWSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255940 863327200 /nfs/dbraw/zinc/32/72/00/863327200.db2.gz XTHMZCDYGJRFBF-UARRHKHWSA-N 2 1 395.591 3.668 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000499238073 881671276 /nfs/dbraw/zinc/67/12/76/881671276.db2.gz XIRYWDBAALJHJO-OALUTQOASA-N 2 1 380.536 3.875 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000667602914 863913975 /nfs/dbraw/zinc/91/39/75/863913975.db2.gz RFWVYYIFSZKOPO-OAQYLSRUSA-N 2 1 384.593 3.720 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000667602914 863913988 /nfs/dbraw/zinc/91/39/88/863913988.db2.gz RFWVYYIFSZKOPO-OAQYLSRUSA-N 2 1 384.593 3.720 20 0 GHADMP C[C@@H]1CC([N@@H+]2CCC[C@H](Oc3ncccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054677 863980211 /nfs/dbraw/zinc/98/02/11/863980211.db2.gz AHTCQOXABSAGPC-KNKQGSTJSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1CC([N@H+]2CCC[C@H](Oc3ncccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054677 863980218 /nfs/dbraw/zinc/98/02/18/863980218.db2.gz AHTCQOXABSAGPC-KNKQGSTJSA-N 2 1 380.536 3.761 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000607054237 864016573 /nfs/dbraw/zinc/01/65/73/864016573.db2.gz HCFDWFCVZCPSSH-XMSQKQJNSA-N 2 1 387.568 3.793 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000607057310 864018308 /nfs/dbraw/zinc/01/83/08/864018308.db2.gz DPRIUOMNCVZLKW-HXUWFJFHSA-N 2 1 394.563 3.818 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000159055142 864020425 /nfs/dbraw/zinc/02/04/25/864020425.db2.gz MCMRCUFKDNVLMO-SFHVURJKSA-N 2 1 389.609 3.609 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001168056029 864066115 /nfs/dbraw/zinc/06/61/15/864066115.db2.gz BSNRNBOMSUKUKU-SFYKDHMMSA-N 2 1 395.547 3.985 20 0 GHADMP O=c1c(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cccn1C(F)F ZINC000898520463 864082654 /nfs/dbraw/zinc/08/26/54/864082654.db2.gz ZHVQRWYBHOQDMX-AABGKKOBSA-N 2 1 387.474 3.634 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001168056331 864155620 /nfs/dbraw/zinc/15/56/20/864155620.db2.gz FLCVVGLMCILJNR-WOIUINJBSA-N 2 1 380.536 3.680 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000607283686 864241123 /nfs/dbraw/zinc/24/11/23/864241123.db2.gz DFCYVOPODOTTMQ-XPNTWCBSSA-N 2 1 385.596 3.915 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000607284465 864243561 /nfs/dbraw/zinc/24/35/61/864243561.db2.gz JBFBHPBSSKOVLE-LEWJYISDSA-N 2 1 383.536 3.833 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475133772 864268347 /nfs/dbraw/zinc/26/83/47/864268347.db2.gz AWMDOFFNBXOGLA-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475133772 864268361 /nfs/dbraw/zinc/26/83/61/864268361.db2.gz AWMDOFFNBXOGLA-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475133772 864268377 /nfs/dbraw/zinc/26/83/77/864268377.db2.gz AWMDOFFNBXOGLA-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c2ccccc2)cc1 ZINC000607391077 864327069 /nfs/dbraw/zinc/32/70/69/864327069.db2.gz AUCJEDVWOBFBMH-NQHRYMMQSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000607391077 864327076 /nfs/dbraw/zinc/32/70/76/864327076.db2.gz AUCJEDVWOBFBMH-NQHRYMMQSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)cc1 ZINC000607391077 864327090 /nfs/dbraw/zinc/32/70/90/864327090.db2.gz AUCJEDVWOBFBMH-NQHRYMMQSA-N 2 1 396.575 3.736 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168057303 864388490 /nfs/dbraw/zinc/38/84/90/864388490.db2.gz LQJINPGCNVALCO-NPDDRXJXSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168057303 864388508 /nfs/dbraw/zinc/38/85/08/864388508.db2.gz LQJINPGCNVALCO-NPDDRXJXSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168057303 864388526 /nfs/dbraw/zinc/38/85/26/864388526.db2.gz LQJINPGCNVALCO-NPDDRXJXSA-N 2 1 395.547 3.985 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1Cl ZINC000523007950 864425297 /nfs/dbraw/zinc/42/52/97/864425297.db2.gz RKIKRBJZIRWSEO-OAHLLOKOSA-N 2 1 383.989 3.550 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000607539428 864469673 /nfs/dbraw/zinc/46/96/73/864469673.db2.gz GDNGZZDVCAMRRG-UZLBHIALSA-N 2 1 389.565 3.996 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163931117 864579554 /nfs/dbraw/zinc/57/95/54/864579554.db2.gz KIWLUECHKMBONB-ZJSXRUAMSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163931117 864579556 /nfs/dbraw/zinc/57/95/56/864579556.db2.gz KIWLUECHKMBONB-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163931117 864579561 /nfs/dbraw/zinc/57/95/61/864579561.db2.gz KIWLUECHKMBONB-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163931117 864579565 /nfs/dbraw/zinc/57/95/65/864579565.db2.gz KIWLUECHKMBONB-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182567829 864689636 /nfs/dbraw/zinc/68/96/36/864689636.db2.gz XXUZZBJAQILMKX-AZUAARDMSA-N 2 1 390.616 3.593 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)c1ccccc1 ZINC000554707137 864752472 /nfs/dbraw/zinc/75/24/72/864752472.db2.gz FCEURGSXDYBRPN-SFTDATJTSA-N 2 1 385.577 3.820 20 0 GHADMP C[C@H](CC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313333 864767638 /nfs/dbraw/zinc/76/76/38/864767638.db2.gz OVLXMIOWNUZJSC-ZJSXRUAMSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@H](CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313333 864767650 /nfs/dbraw/zinc/76/76/50/864767650.db2.gz OVLXMIOWNUZJSC-ZJSXRUAMSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@H](CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313333 864767664 /nfs/dbraw/zinc/76/76/64/864767664.db2.gz OVLXMIOWNUZJSC-ZJSXRUAMSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@H](CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313333 864767678 /nfs/dbraw/zinc/76/76/78/864767678.db2.gz OVLXMIOWNUZJSC-ZJSXRUAMSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@H](CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313333 864767692 /nfs/dbraw/zinc/76/76/92/864767692.db2.gz OVLXMIOWNUZJSC-ZJSXRUAMSA-N 2 1 382.548 3.551 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000475315975 864776224 /nfs/dbraw/zinc/77/62/24/864776224.db2.gz ZAHHKUZJEVXKRG-UHFFFAOYSA-N 2 1 398.595 3.654 20 0 GHADMP C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182651478 864921701 /nfs/dbraw/zinc/92/17/01/864921701.db2.gz GFKCMMIRHDUFEK-VQTJNVASSA-N 2 1 378.605 3.595 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000554820816 864976254 /nfs/dbraw/zinc/97/62/54/864976254.db2.gz ZJLWNWIPGKWFGP-FCHUYYIVSA-N 2 1 383.580 3.737 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000608145770 865057315 /nfs/dbraw/zinc/05/73/15/865057315.db2.gz FJZWKJHZDCHYOE-WVVQBRDUSA-N 2 1 399.579 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000608145770 865057334 /nfs/dbraw/zinc/05/73/34/865057334.db2.gz FJZWKJHZDCHYOE-WVVQBRDUSA-N 2 1 399.579 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000608145770 865057350 /nfs/dbraw/zinc/05/73/50/865057350.db2.gz FJZWKJHZDCHYOE-WVVQBRDUSA-N 2 1 399.579 3.685 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000169097686 865057853 /nfs/dbraw/zinc/05/78/53/865057853.db2.gz RBPRHWWELLJFQN-FQEVSTJZSA-N 2 1 381.486 3.744 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000169097686 865057868 /nfs/dbraw/zinc/05/78/68/865057868.db2.gz RBPRHWWELLJFQN-FQEVSTJZSA-N 2 1 381.486 3.744 20 0 GHADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1OC(F)F ZINC000192920142 865075100 /nfs/dbraw/zinc/07/51/00/865075100.db2.gz HMWRSRKUQSSVHM-QGZVFWFLSA-N 2 1 376.447 3.908 20 0 GHADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC(F)F ZINC000192920142 865075114 /nfs/dbraw/zinc/07/51/14/865075114.db2.gz HMWRSRKUQSSVHM-QGZVFWFLSA-N 2 1 376.447 3.908 20 0 GHADMP COc1ccc2c(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000173972898 865269140 /nfs/dbraw/zinc/26/91/40/865269140.db2.gz AJQSLVPSWDRPCU-IBGZPJMESA-N 2 1 392.499 3.756 20 0 GHADMP COc1ccc2c(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000173972898 865269155 /nfs/dbraw/zinc/26/91/55/865269155.db2.gz AJQSLVPSWDRPCU-IBGZPJMESA-N 2 1 392.499 3.756 20 0 GHADMP COc1ccc2c(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000173972898 865269166 /nfs/dbraw/zinc/26/91/66/865269166.db2.gz AJQSLVPSWDRPCU-IBGZPJMESA-N 2 1 392.499 3.756 20 0 GHADMP COc1ccc2c(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000173972898 865269180 /nfs/dbraw/zinc/26/91/80/865269180.db2.gz AJQSLVPSWDRPCU-IBGZPJMESA-N 2 1 392.499 3.756 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000608383346 865297924 /nfs/dbraw/zinc/29/79/24/865297924.db2.gz WTHBQFRQSYBSTH-DNVCBOLYSA-N 2 1 377.916 3.829 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133018091 881867203 /nfs/dbraw/zinc/86/72/03/881867203.db2.gz LWQAJDQCRKVPFU-NRFANRHFSA-N 3 1 386.628 3.819 20 0 GHADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000738312777 865528643 /nfs/dbraw/zinc/52/86/43/865528643.db2.gz CBAUIOUKPSIPCV-UGKGYDQZSA-N 2 1 386.584 3.668 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000608656184 865561804 /nfs/dbraw/zinc/56/18/04/865561804.db2.gz PQUFNFGUNUOPNI-DHIUTWEWSA-N 2 1 394.563 3.514 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000533984868 865700731 /nfs/dbraw/zinc/70/07/31/865700731.db2.gz AKIFSAMSWDFTBQ-ZSTXGWIISA-N 2 1 398.595 3.774 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)[C@@H](C)[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC000481030081 865708862 /nfs/dbraw/zinc/70/88/62/865708862.db2.gz DPSXSYSSMRLRNF-MRXNPFEDSA-N 2 1 386.565 3.719 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000499299823 881918748 /nfs/dbraw/zinc/91/87/48/881918748.db2.gz MYMVCDIEGORJPV-GOSISDBHSA-N 2 1 383.540 3.759 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000481177278 865929730 /nfs/dbraw/zinc/92/97/30/865929730.db2.gz TZPQRPLWLKPEKV-FGSXEWAUSA-N 2 1 383.511 3.503 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000481177278 865929742 /nfs/dbraw/zinc/92/97/42/865929742.db2.gz TZPQRPLWLKPEKV-FGSXEWAUSA-N 2 1 383.511 3.503 20 0 GHADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481185915 865952833 /nfs/dbraw/zinc/95/28/33/865952833.db2.gz VLGZBQZCVLVSCE-GBXCKJPGSA-N 2 1 393.575 3.708 20 0 GHADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481185915 865952839 /nfs/dbraw/zinc/95/28/39/865952839.db2.gz VLGZBQZCVLVSCE-GBXCKJPGSA-N 2 1 393.575 3.708 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481199199 866023391 /nfs/dbraw/zinc/02/33/91/866023391.db2.gz PDNTWFBGCFXRDY-ZJSXRUAMSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481199199 866023407 /nfs/dbraw/zinc/02/34/07/866023407.db2.gz PDNTWFBGCFXRDY-ZJSXRUAMSA-N 2 1 393.575 3.924 20 0 GHADMP CC1(C)CCc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)ccc2O1 ZINC000740899062 866089672 /nfs/dbraw/zinc/08/96/72/866089672.db2.gz OVBTXFOACNCNSW-PKTZIBPZSA-N 2 1 394.559 3.763 20 0 GHADMP CC1(C)CCc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)ccc2O1 ZINC000740899062 866089685 /nfs/dbraw/zinc/08/96/85/866089685.db2.gz OVBTXFOACNCNSW-PKTZIBPZSA-N 2 1 394.559 3.763 20 0 GHADMP C[NH+](C)CCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CCCC1 ZINC000534096085 866124997 /nfs/dbraw/zinc/12/49/97/866124997.db2.gz CBBCOVGJCSNXQN-VQTJNVASSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+](C)CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CCCC1 ZINC000534096085 866124999 /nfs/dbraw/zinc/12/49/99/866124999.db2.gz CBBCOVGJCSNXQN-VQTJNVASSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000857070097 881983970 /nfs/dbraw/zinc/98/39/70/881983970.db2.gz DDJWKGCPWKLRBQ-BJLQDIEVSA-N 2 1 375.557 3.790 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000620192312 866530495 /nfs/dbraw/zinc/53/04/95/866530495.db2.gz JUDIVKDXGSTYTR-PKTZIBPZSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000620192312 866530499 /nfs/dbraw/zinc/53/04/99/866530499.db2.gz JUDIVKDXGSTYTR-PKTZIBPZSA-N 2 1 391.559 3.708 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620196094 866534766 /nfs/dbraw/zinc/53/47/66/866534766.db2.gz MEHRCWYUIIJELY-PZJWPPBQSA-N 2 1 394.563 3.815 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620196094 866534776 /nfs/dbraw/zinc/53/47/76/866534776.db2.gz MEHRCWYUIIJELY-PZJWPPBQSA-N 2 1 394.563 3.815 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000857077661 881992248 /nfs/dbraw/zinc/99/22/48/881992248.db2.gz MLGQENDEFHSMMF-LADGPHEKSA-N 2 1 377.532 3.986 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000553006772 866613706 /nfs/dbraw/zinc/61/37/06/866613706.db2.gz SAIQREUXFDRIPV-HSZRJFAPSA-N 2 1 391.559 3.598 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCc3ccc(F)c(F)c3)C2)ccn1 ZINC001183046626 912213913 /nfs/dbraw/zinc/21/39/13/912213913.db2.gz YERRTPSCZRXLLT-HXUWFJFHSA-N 2 1 389.490 3.897 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCc3ccc(F)c(F)c3)C2)ccn1 ZINC001183046626 912213933 /nfs/dbraw/zinc/21/39/33/912213933.db2.gz YERRTPSCZRXLLT-HXUWFJFHSA-N 2 1 389.490 3.897 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCc3ccc(F)c(F)c3)C2)ccn1 ZINC001183046626 912213946 /nfs/dbraw/zinc/21/39/46/912213946.db2.gz YERRTPSCZRXLLT-HXUWFJFHSA-N 2 1 389.490 3.897 20 0 GHADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C2 ZINC000475604446 866729364 /nfs/dbraw/zinc/72/93/64/866729364.db2.gz FYKRNMXAMHKYOO-SJLPKXTDSA-N 2 1 382.552 3.884 20 0 GHADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C2 ZINC000475604448 866729821 /nfs/dbraw/zinc/72/98/21/866729821.db2.gz FYKRNMXAMHKYOO-WMZOPIPTSA-N 2 1 382.552 3.884 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000553167249 866894599 /nfs/dbraw/zinc/89/45/99/866894599.db2.gz AHJJXWQGRLJRKM-NQIIRXRSSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000553167249 866894611 /nfs/dbraw/zinc/89/46/11/866894611.db2.gz AHJJXWQGRLJRKM-NQIIRXRSSA-N 2 1 385.939 3.581 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000444596784 866921217 /nfs/dbraw/zinc/92/12/17/866921217.db2.gz XYHTTWZOPWDVJS-KRWDZBQOSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000444596784 866921231 /nfs/dbraw/zinc/92/12/31/866921231.db2.gz XYHTTWZOPWDVJS-KRWDZBQOSA-N 2 1 383.540 3.805 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000456683646 866974275 /nfs/dbraw/zinc/97/42/75/866974275.db2.gz MGCAJUSHOKDURC-UHFFFAOYSA-N 2 1 391.559 3.822 20 0 GHADMP FC(F)(F)C[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](CC(F)(F)F)C3)COC2)C1 ZINC000444705618 867093773 /nfs/dbraw/zinc/09/37/73/867093773.db2.gz NPBHWBXJROICED-ZIAGYGMSSA-N 2 1 388.396 3.552 20 0 GHADMP FC(F)(F)C[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)COC2)C1 ZINC000444705618 867093792 /nfs/dbraw/zinc/09/37/92/867093792.db2.gz NPBHWBXJROICED-ZIAGYGMSSA-N 2 1 388.396 3.552 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000523454040 867303649 /nfs/dbraw/zinc/30/36/49/867303649.db2.gz PQFNKEGRYOCPOS-MOPGFXCFSA-N 2 1 392.613 3.503 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000429784515 867331305 /nfs/dbraw/zinc/33/13/05/867331305.db2.gz NUBMDMOCGQNRNE-DXIQSLLYSA-N 2 1 379.548 3.818 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000429784515 867331319 /nfs/dbraw/zinc/33/13/19/867331319.db2.gz NUBMDMOCGQNRNE-DXIQSLLYSA-N 2 1 379.548 3.818 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000429784515 867331335 /nfs/dbraw/zinc/33/13/35/867331335.db2.gz NUBMDMOCGQNRNE-DXIQSLLYSA-N 2 1 379.548 3.818 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165784 882071919 /nfs/dbraw/zinc/07/19/19/882071919.db2.gz ZKYQKOJNRIZBHV-ZRBLBEILSA-N 2 1 377.532 3.671 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165784 882071938 /nfs/dbraw/zinc/07/19/38/882071938.db2.gz ZKYQKOJNRIZBHV-ZRBLBEILSA-N 2 1 377.532 3.671 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165784 882071958 /nfs/dbraw/zinc/07/19/58/882071958.db2.gz ZKYQKOJNRIZBHV-ZRBLBEILSA-N 2 1 377.532 3.671 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000534721392 867366956 /nfs/dbraw/zinc/36/69/56/867366956.db2.gz GJKUOWSQXHZOQV-DHIUTWEWSA-N 2 1 394.563 3.514 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000534721398 867367000 /nfs/dbraw/zinc/36/70/00/867367000.db2.gz GJKUOWSQXHZOQV-GOTSBHOMSA-N 2 1 394.563 3.514 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000479266600 867460650 /nfs/dbraw/zinc/46/06/50/867460650.db2.gz OYVDPZHNOFXEMB-ZACQAIPSSA-N 2 1 383.374 3.859 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000857182792 882094363 /nfs/dbraw/zinc/09/43/63/882094363.db2.gz OWDAXMHAKCNUEG-OFAXGOBFSA-N 2 1 379.548 3.917 20 0 GHADMP C[NH+](C)CCc1ccc(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857189180 882099162 /nfs/dbraw/zinc/09/91/62/882099162.db2.gz XDCMGLNJNSSFTB-QHCPKHFHSA-N 2 1 379.548 3.530 20 0 GHADMP C[C@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000479367258 867632454 /nfs/dbraw/zinc/63/24/54/867632454.db2.gz WQKUHUFFAARYNB-YWZLYKJASA-N 2 1 395.385 3.899 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000857197806 882108803 /nfs/dbraw/zinc/10/88/03/882108803.db2.gz DUSHBMXYNIKRSE-XUZZJYLKSA-N 2 1 391.559 3.748 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000857197806 882108811 /nfs/dbraw/zinc/10/88/11/882108811.db2.gz DUSHBMXYNIKRSE-XUZZJYLKSA-N 2 1 391.559 3.748 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000857197806 882108820 /nfs/dbraw/zinc/10/88/20/882108820.db2.gz DUSHBMXYNIKRSE-XUZZJYLKSA-N 2 1 391.559 3.748 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479451744 867781547 /nfs/dbraw/zinc/78/15/47/867781547.db2.gz XUZBOFGZGQZTCS-YLJYHZDGSA-N 2 1 381.520 3.826 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479451744 867781559 /nfs/dbraw/zinc/78/15/59/867781559.db2.gz XUZBOFGZGQZTCS-YLJYHZDGSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479465751 867810338 /nfs/dbraw/zinc/81/03/38/867810338.db2.gz PLQSTKSFEBJEOD-QQKQFIJSSA-N 2 1 393.575 3.560 20 0 GHADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444948 867813530 /nfs/dbraw/zinc/81/35/30/867813530.db2.gz KNFHDBFVWQWWJQ-CVDCTZTESA-N 2 1 379.548 3.538 20 0 GHADMP Cc1ccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534967256 867842756 /nfs/dbraw/zinc/84/27/56/867842756.db2.gz RRBLDHXITOTNCD-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP Cc1ccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534967256 867842762 /nfs/dbraw/zinc/84/27/62/867842762.db2.gz RRBLDHXITOTNCD-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857256470 882147641 /nfs/dbraw/zinc/14/76/41/882147641.db2.gz JBJFBAHOUAMUAG-YYWHXJBOSA-N 2 1 383.536 3.948 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H](C)c1ccccc1 ZINC000156898328 868494557 /nfs/dbraw/zinc/49/45/57/868494557.db2.gz KURUFSTWMDHXJH-MSYCTHLASA-N 2 1 379.548 3.666 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000156905621 868497545 /nfs/dbraw/zinc/49/75/45/868497545.db2.gz PRZDRFJFDVAGGD-UUOWRZLLSA-N 2 1 391.559 3.723 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000457647692 868567904 /nfs/dbraw/zinc/56/79/04/868567904.db2.gz JOWAWTTYUSCTML-HYBUGGRVSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000457647692 868567913 /nfs/dbraw/zinc/56/79/13/868567913.db2.gz JOWAWTTYUSCTML-HYBUGGRVSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000457647692 868567922 /nfs/dbraw/zinc/56/79/22/868567922.db2.gz JOWAWTTYUSCTML-HYBUGGRVSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000457647693 868568329 /nfs/dbraw/zinc/56/83/29/868568329.db2.gz JOWAWTTYUSCTML-RDPSFJRHSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000457647693 868568334 /nfs/dbraw/zinc/56/83/34/868568334.db2.gz JOWAWTTYUSCTML-RDPSFJRHSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000457647693 868568343 /nfs/dbraw/zinc/56/83/43/868568343.db2.gz JOWAWTTYUSCTML-RDPSFJRHSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccccc3OCC[NH+](C)C)c2C1 ZINC000158338168 868923597 /nfs/dbraw/zinc/92/35/97/868923597.db2.gz FCVUCSDOIKVRCR-UHFFFAOYSA-N 2 1 381.520 3.851 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379618921 869009025 /nfs/dbraw/zinc/00/90/25/869009025.db2.gz AXRNOIUKHSMGIP-MJGOQNOKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379618921 869009034 /nfs/dbraw/zinc/00/90/34/869009034.db2.gz AXRNOIUKHSMGIP-MJGOQNOKSA-N 2 1 375.557 3.932 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000524515256 869193520 /nfs/dbraw/zinc/19/35/20/869193520.db2.gz MOIRDWSAYZROBH-OAQYLSRUSA-N 2 1 388.600 3.723 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000445994419 869260837 /nfs/dbraw/zinc/26/08/37/869260837.db2.gz WUFSDLWTKPBBOD-GMHONNGPSA-N 2 1 391.559 3.692 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000445994421 869260879 /nfs/dbraw/zinc/26/08/79/869260879.db2.gz WUFSDLWTKPBBOD-ZMUKGBGYSA-N 2 1 391.559 3.692 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[NH+](C)C)cc1 ZINC000462436554 869426341 /nfs/dbraw/zinc/42/63/41/869426341.db2.gz NAVVLUUQDBRCSZ-QFIPXVFZSA-N 2 1 398.551 3.502 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000539688740 869610790 /nfs/dbraw/zinc/61/07/90/869610790.db2.gz FPBFINDCEXWTJL-FQEVSTJZSA-N 2 1 386.584 3.546 20 0 GHADMP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000745948676 869900392 /nfs/dbraw/zinc/90/03/92/869900392.db2.gz QVVVIQHPBYJYBH-IBGZPJMESA-N 2 1 387.568 3.715 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539894407 869980029 /nfs/dbraw/zinc/98/00/29/869980029.db2.gz MWADTCRWPREXBB-FDFHNCONSA-N 2 1 382.552 3.679 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539894407 869980033 /nfs/dbraw/zinc/98/00/33/869980033.db2.gz MWADTCRWPREXBB-FDFHNCONSA-N 2 1 382.552 3.679 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446573302 870024807 /nfs/dbraw/zinc/02/48/07/870024807.db2.gz VYSTXARERKEUHQ-RXVVDRJESA-N 2 1 380.536 3.748 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043232 870291507 /nfs/dbraw/zinc/29/15/07/870291507.db2.gz SBRWQNRADNEVIJ-WOIUINJBSA-N 2 1 386.584 3.703 20 0 GHADMP C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000248393078 870363325 /nfs/dbraw/zinc/36/33/25/870363325.db2.gz GEODHGKCLBBAIM-ZSTWQFLISA-N 2 1 379.548 3.610 20 0 GHADMP C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000248393078 870363334 /nfs/dbraw/zinc/36/33/34/870363334.db2.gz GEODHGKCLBBAIM-ZSTWQFLISA-N 2 1 379.548 3.610 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](CC)CC1)c1cccc(C(F)(F)F)c1 ZINC000525332518 870381348 /nfs/dbraw/zinc/38/13/48/870381348.db2.gz REFRAJGJYHEJHG-GOSISDBHSA-N 2 1 385.474 3.643 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](CC)CC1)c1cccc(C(F)(F)F)c1 ZINC000525332518 870381405 /nfs/dbraw/zinc/38/14/05/870381405.db2.gz REFRAJGJYHEJHG-GOSISDBHSA-N 2 1 385.474 3.643 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000122036558 882402224 /nfs/dbraw/zinc/40/22/24/882402224.db2.gz VTYKGHDDRYZNFL-UHFFFAOYSA-N 2 1 386.540 3.615 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000122036558 882402229 /nfs/dbraw/zinc/40/22/29/882402229.db2.gz VTYKGHDDRYZNFL-UHFFFAOYSA-N 2 1 386.540 3.615 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248435700 870417849 /nfs/dbraw/zinc/41/78/49/870417849.db2.gz FWVCORNOWHMCFJ-PXNSSMCTSA-N 2 1 384.520 3.511 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-n2ccnc2)cc1 ZINC000248460415 870437029 /nfs/dbraw/zinc/43/70/29/870437029.db2.gz WMONDHSPMMAEEE-DVECYGJZSA-N 2 1 390.531 3.680 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248462748 870440584 /nfs/dbraw/zinc/44/05/84/870440584.db2.gz YMBPVGNTGDTJPY-FCHUYYIVSA-N 2 1 396.531 3.655 20 0 GHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000446881586 870625167 /nfs/dbraw/zinc/62/51/67/870625167.db2.gz SPFJEJXHSVASOA-RPWUZVMVSA-N 2 1 382.548 3.584 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC[C@@H](C(F)(F)F)C1 ZINC000249178326 870780460 /nfs/dbraw/zinc/78/04/60/870780460.db2.gz GMSYOALLPRZNEH-PFAUGDHASA-N 2 1 396.497 3.970 20 0 GHADMP CCOc1ccccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249274475 870799426 /nfs/dbraw/zinc/79/94/26/870799426.db2.gz JQWLGMYSPSXPRY-HROJSSOGSA-N 2 1 395.547 3.770 20 0 GHADMP CCOc1ccccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249274475 870799436 /nfs/dbraw/zinc/79/94/36/870799436.db2.gz JQWLGMYSPSXPRY-HROJSSOGSA-N 2 1 395.547 3.770 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCSc3ccc(F)cc3)CC2)C[C@@H](C)O1 ZINC000540244644 870845028 /nfs/dbraw/zinc/84/50/28/870845028.db2.gz CZFXTQUTASWANC-QZTJIDSGSA-N 2 1 396.572 3.508 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000540244674 870845966 /nfs/dbraw/zinc/84/59/66/870845966.db2.gz FBZIZMVQEZDZKT-NPPFBWRTSA-N 2 1 378.532 3.867 20 0 GHADMP Brc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)oc2c1 ZINC000463077118 870849302 /nfs/dbraw/zinc/84/93/02/870849302.db2.gz FQNKDQBUGGAAAH-UHFFFAOYSA-N 2 1 378.314 3.898 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000463114364 870912546 /nfs/dbraw/zinc/91/25/46/870912546.db2.gz RZZVLPSYTFFQIN-JTSKRJEESA-N 2 1 384.495 3.877 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000463114364 870912556 /nfs/dbraw/zinc/91/25/56/870912556.db2.gz RZZVLPSYTFFQIN-JTSKRJEESA-N 2 1 384.495 3.877 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1csc(-c2ncccn2)n1 ZINC000538946972 870954766 /nfs/dbraw/zinc/95/47/66/870954766.db2.gz MLQLBTDRKPXCQB-UHFFFAOYSA-N 2 1 394.548 3.734 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1csc(-c2ncccn2)n1 ZINC000538946972 870954776 /nfs/dbraw/zinc/95/47/76/870954776.db2.gz MLQLBTDRKPXCQB-UHFFFAOYSA-N 2 1 394.548 3.734 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000122202553 882473430 /nfs/dbraw/zinc/47/34/30/882473430.db2.gz OGIQOUPRXKQVNY-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000122202553 882473433 /nfs/dbraw/zinc/47/34/33/882473433.db2.gz OGIQOUPRXKQVNY-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP COc1cccc(C2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001193430996 871105206 /nfs/dbraw/zinc/10/52/06/871105206.db2.gz WZFWIAQWLGVLGJ-XMMPIXPASA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc(C2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001193430996 871105212 /nfs/dbraw/zinc/10/52/12/871105212.db2.gz WZFWIAQWLGVLGJ-XMMPIXPASA-N 2 1 380.532 3.512 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000463220403 871181650 /nfs/dbraw/zinc/18/16/50/871181650.db2.gz BMRAEHQNQGSPBT-FQEVSTJZSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000463220403 871181656 /nfs/dbraw/zinc/18/16/56/871181656.db2.gz BMRAEHQNQGSPBT-FQEVSTJZSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000539084703 871228188 /nfs/dbraw/zinc/22/81/88/871228188.db2.gz VGBIPEOQBRGTDZ-MJGOQNOKSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)CC[N@H+]1Cc1ccccc1 ZINC000539084703 871228211 /nfs/dbraw/zinc/22/82/11/871228211.db2.gz VGBIPEOQBRGTDZ-MJGOQNOKSA-N 2 1 380.511 3.898 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC3(CC[NH2+]CC3)c3c1cccc3-c1cccnc1)C2 ZINC001169140849 871249475 /nfs/dbraw/zinc/24/94/75/871249475.db2.gz UCWFNPKQQHJSSW-WKCHPHFGSA-N 2 1 388.559 3.815 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000539075692 871266287 /nfs/dbraw/zinc/26/62/87/871266287.db2.gz FFZSWXYJDCTEQY-UTKZUKDTSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000539075692 871266295 /nfs/dbraw/zinc/26/62/95/871266295.db2.gz FFZSWXYJDCTEQY-UTKZUKDTSA-N 2 1 385.939 3.570 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001169371325 871434470 /nfs/dbraw/zinc/43/44/70/871434470.db2.gz LMRJAGZQKUQTEQ-MUGJNUQGSA-N 2 1 394.943 3.523 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001169508783 871574233 /nfs/dbraw/zinc/57/42/33/871574233.db2.gz RMZGWSYHFMYRSB-NHTMILBNSA-N 2 1 383.580 3.622 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@@H](Nc2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001169517587 871624572 /nfs/dbraw/zinc/62/45/72/871624572.db2.gz GWPKIFNMWUMDRZ-PUHATCMVSA-N 2 1 393.531 3.982 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000539306734 871701053 /nfs/dbraw/zinc/70/10/53/871701053.db2.gz NGEIOAFKNDURLJ-SUMWQHHRSA-N 2 1 387.387 3.790 20 0 GHADMP O[C@@H]1c2ccccc2CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001169617119 871708715 /nfs/dbraw/zinc/70/87/15/871708715.db2.gz ASSMIFBOHFBMAD-GREBRCKQSA-N 2 1 376.504 3.811 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001169707772 871790699 /nfs/dbraw/zinc/79/06/99/871790699.db2.gz UQVUYWRAMRYOKJ-NRFANRHFSA-N 2 1 385.552 3.520 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001169707772 871790707 /nfs/dbraw/zinc/79/07/07/871790707.db2.gz UQVUYWRAMRYOKJ-NRFANRHFSA-N 2 1 385.552 3.520 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552062928 871960772 /nfs/dbraw/zinc/96/07/72/871960772.db2.gz KCKVRKXKVYYWIP-KBMXLJTQSA-N 2 1 391.865 3.985 20 0 GHADMP COc1ccccc1[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509656839 872011281 /nfs/dbraw/zinc/01/12/81/872011281.db2.gz YMRMLYKMMABORL-NRFANRHFSA-N 2 1 379.548 3.697 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)s1 ZINC000552135705 872078448 /nfs/dbraw/zinc/07/84/48/872078448.db2.gz VYYAUMNMPBXSRI-WIYYLYMNSA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)s1 ZINC000552135705 872078468 /nfs/dbraw/zinc/07/84/68/872078468.db2.gz VYYAUMNMPBXSRI-WIYYLYMNSA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)s1 ZINC000552135705 872078487 /nfs/dbraw/zinc/07/84/87/872078487.db2.gz VYYAUMNMPBXSRI-WIYYLYMNSA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C)[NH+]3CCCCCC3)C2)s1 ZINC000552136204 872080978 /nfs/dbraw/zinc/08/09/78/872080978.db2.gz BTFWISCFFSBZOR-RBUKOAKNSA-N 2 1 377.598 3.601 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627072 872084884 /nfs/dbraw/zinc/08/48/84/872084884.db2.gz KYZBIHDCOIIMMU-UWJYYQICSA-N 2 1 390.531 3.716 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(C2CCCC2)nc1C ZINC000463618060 872192254 /nfs/dbraw/zinc/19/22/54/872192254.db2.gz KIKMAMVVMXZLEO-SFHVURJKSA-N 2 1 392.613 3.597 20 0 GHADMP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OCc1cccnc1 ZINC000093660118 872326627 /nfs/dbraw/zinc/32/66/27/872326627.db2.gz PGHDEKXCSUIFKS-NRFANRHFSA-N 2 1 383.536 3.975 20 0 GHADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OCc1cccnc1 ZINC000093660118 872326633 /nfs/dbraw/zinc/32/66/33/872326633.db2.gz PGHDEKXCSUIFKS-NRFANRHFSA-N 2 1 383.536 3.975 20 0 GHADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OCc1cccnc1 ZINC000093660118 872326638 /nfs/dbraw/zinc/32/66/38/872326638.db2.gz PGHDEKXCSUIFKS-NRFANRHFSA-N 2 1 383.536 3.975 20 0 GHADMP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OCc1cccnc1 ZINC000093660118 872326644 /nfs/dbraw/zinc/32/66/44/872326644.db2.gz PGHDEKXCSUIFKS-NRFANRHFSA-N 2 1 383.536 3.975 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093705528 872353686 /nfs/dbraw/zinc/35/36/86/872353686.db2.gz MFBSRCGUZZNOIB-SJORKVTESA-N 2 1 387.959 3.506 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093705528 872353703 /nfs/dbraw/zinc/35/37/03/872353703.db2.gz MFBSRCGUZZNOIB-SJORKVTESA-N 2 1 387.959 3.506 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000619177629 872393581 /nfs/dbraw/zinc/39/35/81/872393581.db2.gz WBEOPYJUZPQHCE-UHFFFAOYSA-N 2 1 390.940 3.608 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H](C)C[NH+]3CCCCC3)c2C)cc1 ZINC000463741758 872462719 /nfs/dbraw/zinc/46/27/19/872462719.db2.gz OKKMNEBZROXBCE-GOSISDBHSA-N 2 1 384.568 3.768 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccccc2)C[C@H](C)O1 ZINC000447926816 872557670 /nfs/dbraw/zinc/55/76/70/872557670.db2.gz CNCCXCPGQSWVEH-BGYRXZFFSA-N 2 1 390.531 3.771 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000619363354 872577278 /nfs/dbraw/zinc/57/72/78/872577278.db2.gz ZWXZHEYTJNGAJO-YQVWRLOYSA-N 2 1 380.602 3.551 20 0 GHADMP Cc1cc(N2CCC([NH+]3CCN(c4cccc(Cl)c4)CC3)CC2)nc(C)[nH+]1 ZINC000413321635 872657110 /nfs/dbraw/zinc/65/71/10/872657110.db2.gz HKYGZGYKVPFIBH-UHFFFAOYSA-N 2 1 385.943 3.538 20 0 GHADMP Cc1ccc2cc(C[NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)ccc2n1 ZINC000527116594 872698114 /nfs/dbraw/zinc/69/81/14/872698114.db2.gz IKHLXNFHUQBOFE-NRFANRHFSA-N 2 1 380.561 3.683 20 0 GHADMP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000102423537 873056727 /nfs/dbraw/zinc/05/67/27/873056727.db2.gz NVENRUUXPBRZMQ-SILNSSARSA-N 2 1 393.531 3.541 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000768181917 873148857 /nfs/dbraw/zinc/14/88/57/873148857.db2.gz AVZWHPFTUMLNDO-UHFFFAOYSA-N 2 1 395.425 3.717 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000768181917 873148862 /nfs/dbraw/zinc/14/88/62/873148862.db2.gz AVZWHPFTUMLNDO-UHFFFAOYSA-N 2 1 395.425 3.717 20 0 GHADMP CC[N@@H+](CCC1CCN(Cc2c(Br)c(C)nn2C)CC1)CC1CC1 ZINC000448329734 873241679 /nfs/dbraw/zinc/24/16/79/873241679.db2.gz AQUKKJUYODZOQI-UHFFFAOYSA-N 2 1 397.405 3.825 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2c(Br)c(C)nn2C)CC1)CC1CC1 ZINC000448329734 873241687 /nfs/dbraw/zinc/24/16/87/873241687.db2.gz AQUKKJUYODZOQI-UHFFFAOYSA-N 2 1 397.405 3.825 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2c(Br)c(C)nn2C)CC1)CC1CC1 ZINC000448329734 873241697 /nfs/dbraw/zinc/24/16/97/873241697.db2.gz AQUKKJUYODZOQI-UHFFFAOYSA-N 2 1 397.405 3.825 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)sc2C1 ZINC000541275192 873280870 /nfs/dbraw/zinc/28/08/70/873280870.db2.gz WMXGAMKLQTZBTO-GOSISDBHSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)sc2C1 ZINC000541275192 873280881 /nfs/dbraw/zinc/28/08/81/873280881.db2.gz WMXGAMKLQTZBTO-GOSISDBHSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000541275192 873280895 /nfs/dbraw/zinc/28/08/95/873280895.db2.gz WMXGAMKLQTZBTO-GOSISDBHSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000541275192 873280904 /nfs/dbraw/zinc/28/09/04/873280904.db2.gz WMXGAMKLQTZBTO-GOSISDBHSA-N 2 1 398.576 3.760 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000134046508 882709086 /nfs/dbraw/zinc/70/90/86/882709086.db2.gz TXNDCVUNURRAOK-TUACAJSNSA-N 2 1 380.580 3.965 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000134046508 882709097 /nfs/dbraw/zinc/70/90/97/882709097.db2.gz TXNDCVUNURRAOK-TUACAJSNSA-N 2 1 380.580 3.965 20 0 GHADMP COc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1OCc1cccnc1 ZINC000527805724 873624900 /nfs/dbraw/zinc/62/49/00/873624900.db2.gz HETBVPJYEGECJM-OAQYLSRUSA-N 2 1 381.520 3.776 20 0 GHADMP COc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1OCc1cccnc1 ZINC000527805724 873624905 /nfs/dbraw/zinc/62/49/05/873624905.db2.gz HETBVPJYEGECJM-OAQYLSRUSA-N 2 1 381.520 3.776 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149215 873849129 /nfs/dbraw/zinc/84/91/29/873849129.db2.gz ZBISISUMQIGQDT-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149215 873849140 /nfs/dbraw/zinc/84/91/40/873849140.db2.gz ZBISISUMQIGQDT-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149215 873849152 /nfs/dbraw/zinc/84/91/52/873849152.db2.gz ZBISISUMQIGQDT-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149215 873849167 /nfs/dbraw/zinc/84/91/67/873849167.db2.gz ZBISISUMQIGQDT-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149215 873849176 /nfs/dbraw/zinc/84/91/76/873849176.db2.gz ZBISISUMQIGQDT-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769217956 873898683 /nfs/dbraw/zinc/89/86/83/873898683.db2.gz QFHRGXRJWLRSIA-MJGOQNOKSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769217956 873898689 /nfs/dbraw/zinc/89/86/89/873898689.db2.gz QFHRGXRJWLRSIA-MJGOQNOKSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769217956 873898706 /nfs/dbraw/zinc/89/87/06/873898706.db2.gz QFHRGXRJWLRSIA-MJGOQNOKSA-N 2 1 376.541 3.683 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3cccs3)CC2)cc1 ZINC000541644243 874038701 /nfs/dbraw/zinc/03/87/01/874038701.db2.gz NLYGPEKXCVRWFV-UHFFFAOYSA-N 2 1 385.577 3.616 20 0 GHADMP c1ccc2nc(N3CCOCC3)c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000769465701 874089207 /nfs/dbraw/zinc/08/92/07/874089207.db2.gz BTSRSUHRVARAMI-QFIPXVFZSA-N 2 1 394.563 3.522 20 0 GHADMP c1ccc2nc(N3CCOCC3)c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000769465701 874089222 /nfs/dbraw/zinc/08/92/22/874089222.db2.gz BTSRSUHRVARAMI-QFIPXVFZSA-N 2 1 394.563 3.522 20 0 GHADMP COCc1cccc(OCC2(C[N@H+]3CCN(c4cc[nH+]cc4)C[C@H]3C)CCC2)c1 ZINC001197929965 874117336 /nfs/dbraw/zinc/11/73/36/874117336.db2.gz NCDIDDIYAFMSHS-HXUWFJFHSA-N 2 1 395.547 3.988 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)C[C@H](C)O1 ZINC000177491955 882805818 /nfs/dbraw/zinc/80/58/18/882805818.db2.gz VLZLWSBKOSCDPK-IYBDPMFKSA-N 2 1 390.553 3.509 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)C[C@H](C)O1 ZINC000177491955 882805839 /nfs/dbraw/zinc/80/58/39/882805839.db2.gz VLZLWSBKOSCDPK-IYBDPMFKSA-N 2 1 390.553 3.509 20 0 GHADMP CC[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541768458 874261782 /nfs/dbraw/zinc/26/17/82/874261782.db2.gz PWHCVRVKZZMHJA-JQVVWYNYSA-N 2 1 384.568 3.670 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269893 874338898 /nfs/dbraw/zinc/33/88/98/874338898.db2.gz FZQDKRAEXPYRGC-PKTZIBPZSA-N 2 1 380.532 3.740 20 0 GHADMP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449061054 874398967 /nfs/dbraw/zinc/39/89/67/874398967.db2.gz HLDNAIANCUVOJF-UHFFFAOYSA-N 2 1 378.495 3.980 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000177815159 882829665 /nfs/dbraw/zinc/82/96/65/882829665.db2.gz VGOALVLIBQQVNM-INIZCTEOSA-N 2 1 378.476 3.787 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000464794673 874525225 /nfs/dbraw/zinc/52/52/25/874525225.db2.gz TXGUQYSXJFQMDG-XMSQKQJNSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000464794673 874525229 /nfs/dbraw/zinc/52/52/29/874525229.db2.gz TXGUQYSXJFQMDG-XMSQKQJNSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000464794673 874525232 /nfs/dbraw/zinc/52/52/32/874525232.db2.gz TXGUQYSXJFQMDG-XMSQKQJNSA-N 2 1 385.577 3.617 20 0 GHADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449141885 874529951 /nfs/dbraw/zinc/52/99/51/874529951.db2.gz RKVFSPTXCPAEFT-ROUUACIJSA-N 2 1 380.598 3.684 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449141885 874529958 /nfs/dbraw/zinc/52/99/58/874529958.db2.gz RKVFSPTXCPAEFT-ROUUACIJSA-N 2 1 380.598 3.684 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000541919319 874532263 /nfs/dbraw/zinc/53/22/63/874532263.db2.gz XCWAZKVJLPBUIC-CTNGQTDRSA-N 2 1 386.923 3.910 20 0 GHADMP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464839160 874578315 /nfs/dbraw/zinc/57/83/15/874578315.db2.gz PEQWCPJHLHGDLE-GOSISDBHSA-N 2 1 387.474 3.747 20 0 GHADMP C[NH+](CCC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839160 874578324 /nfs/dbraw/zinc/57/83/24/874578324.db2.gz PEQWCPJHLHGDLE-GOSISDBHSA-N 2 1 387.474 3.747 20 0 GHADMP C[NH+](CCC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839160 874578330 /nfs/dbraw/zinc/57/83/30/874578330.db2.gz PEQWCPJHLHGDLE-GOSISDBHSA-N 2 1 387.474 3.747 20 0 GHADMP C[C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000508878260 874599569 /nfs/dbraw/zinc/59/95/69/874599569.db2.gz JVPUMDRBPOANCR-PXDATVDWSA-N 2 1 377.576 3.776 20 0 GHADMP C[N@H+]1C[C@]23C[NH+](CCC(=O)Nc4ccccc4C(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001198822053 874650694 /nfs/dbraw/zinc/65/06/94/874650694.db2.gz ZCSNGDQUFKRFDW-BGYRXZFFSA-N 2 1 395.469 3.842 20 0 GHADMP C[NH+]1C[C@]23C[N@H+](CCC(=O)Nc4ccccc4C(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001198822053 874650701 /nfs/dbraw/zinc/65/07/01/874650701.db2.gz ZCSNGDQUFKRFDW-BGYRXZFFSA-N 2 1 395.469 3.842 20 0 GHADMP C[NH+]1C[C@]23C[N@@H+](CCC(=O)Nc4ccccc4C(F)(F)F)C[C@@]2(C1)CCCC3 ZINC001198822053 874650706 /nfs/dbraw/zinc/65/07/06/874650706.db2.gz ZCSNGDQUFKRFDW-BGYRXZFFSA-N 2 1 395.469 3.842 20 0 GHADMP C[N@@H+](CCC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001198917481 874706452 /nfs/dbraw/zinc/70/64/52/874706452.db2.gz BFRHZSIPVHRTBC-OAHLLOKOSA-N 2 1 377.520 3.779 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000449334527 874751786 /nfs/dbraw/zinc/75/17/86/874751786.db2.gz FBKFHUAOGXDWIA-NLFFAJNJSA-N 2 1 393.575 3.761 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303079997 874949893 /nfs/dbraw/zinc/94/98/93/874949893.db2.gz UMCUAEPGKGNWGM-OAHLLOKOSA-N 2 1 383.458 3.840 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502770 874965748 /nfs/dbraw/zinc/96/57/48/874965748.db2.gz PAPNFJCLUQKXRD-QFIPXVFZSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502770 874965758 /nfs/dbraw/zinc/96/57/58/874965758.db2.gz PAPNFJCLUQKXRD-QFIPXVFZSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502770 874965764 /nfs/dbraw/zinc/96/57/64/874965764.db2.gz PAPNFJCLUQKXRD-QFIPXVFZSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502770 874965771 /nfs/dbraw/zinc/96/57/71/874965771.db2.gz PAPNFJCLUQKXRD-QFIPXVFZSA-N 2 1 379.548 3.606 20 0 GHADMP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449511093 874976583 /nfs/dbraw/zinc/97/65/83/874976583.db2.gz YGUWXUKKDSRFLJ-HXUWFJFHSA-N 2 1 397.563 3.761 20 0 GHADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449511093 874976589 /nfs/dbraw/zinc/97/65/89/874976589.db2.gz YGUWXUKKDSRFLJ-HXUWFJFHSA-N 2 1 397.563 3.761 20 0 GHADMP CCc1oc2ccccc2c1C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449511093 874976604 /nfs/dbraw/zinc/97/66/04/874976604.db2.gz YGUWXUKKDSRFLJ-HXUWFJFHSA-N 2 1 397.563 3.761 20 0 GHADMP CCc1oc2ccccc2c1C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449511093 874976621 /nfs/dbraw/zinc/97/66/21/874976621.db2.gz YGUWXUKKDSRFLJ-HXUWFJFHSA-N 2 1 397.563 3.761 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000134432743 882887025 /nfs/dbraw/zinc/88/70/25/882887025.db2.gz YXZJNNHQLZXAAY-YIGDWTTGSA-N 2 1 392.975 3.505 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000134432743 882887042 /nfs/dbraw/zinc/88/70/42/882887042.db2.gz YXZJNNHQLZXAAY-YIGDWTTGSA-N 2 1 392.975 3.505 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152651 875046495 /nfs/dbraw/zinc/04/64/95/875046495.db2.gz JOYWWNZZVUHENX-BEFAXECRSA-N 2 1 381.358 3.509 20 0 GHADMP Cc1ccc(N2CC[C@@H]([N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000771451364 875252849 /nfs/dbraw/zinc/25/28/49/875252849.db2.gz CGZRDLXLMQAUGM-HSZRJFAPSA-N 2 1 392.547 3.734 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@H](c4cccc(Cl)c4)C3)cn2)CC1 ZINC000449789124 875411692 /nfs/dbraw/zinc/41/16/92/875411692.db2.gz GJSMRKOWIMSNMA-FPOVZHCZSA-N 2 1 399.970 3.698 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnnn2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000491345790 875622958 /nfs/dbraw/zinc/62/29/58/875622958.db2.gz JKWAMEPERHISFU-REWPJTCUSA-N 2 1 389.547 3.717 20 0 GHADMP C[NH+]1CCN(C(=O)C[C@@H]2CC3(CC[NH+](CC(C)(C)C)CC3)c3ccccc32)CC1 ZINC001201434559 875705555 /nfs/dbraw/zinc/70/55/55/875705555.db2.gz BPCQHGWDEAFMNV-HXUWFJFHSA-N 2 1 397.607 3.718 20 0 GHADMP COc1cccc2c1CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C2 ZINC001201625604 875799966 /nfs/dbraw/zinc/79/99/66/875799966.db2.gz CAPLWEXICCZZIH-DHIUTWEWSA-N 2 1 394.559 3.689 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cccc4c[nH]nc43)cc2)C[C@H]1C ZINC001201742412 875838650 /nfs/dbraw/zinc/83/86/50/875838650.db2.gz NWNDHTLXGCFXDH-KDURUIRLSA-N 2 1 392.547 3.862 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261695351 875910224 /nfs/dbraw/zinc/91/02/24/875910224.db2.gz HZAYIXVCCAHZFO-JSFADZTLSA-N 2 1 397.485 3.722 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4ccccc43)c2)C1 ZINC000108420992 876466567 /nfs/dbraw/zinc/46/65/67/876466567.db2.gz MLQDRZOVJQKBCL-HSZRJFAPSA-N 2 1 387.527 3.827 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1F ZINC000173596139 876500769 /nfs/dbraw/zinc/50/07/69/876500769.db2.gz VXKHCEKDGGSBRX-GOSISDBHSA-N 2 1 386.515 3.925 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1F ZINC000173596139 876500788 /nfs/dbraw/zinc/50/07/88/876500788.db2.gz VXKHCEKDGGSBRX-GOSISDBHSA-N 2 1 386.515 3.925 20 0 GHADMP Clc1cc(C[NH+]2CC[C@@]3(CCOC3)C2)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000450488571 876514290 /nfs/dbraw/zinc/51/42/90/876514290.db2.gz XYMCBTHJBPGKSU-FGZHOGPDSA-N 2 1 390.955 3.565 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492296865 876594376 /nfs/dbraw/zinc/59/43/76/876594376.db2.gz ZXIGZFBAVLFJBA-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492296865 876594392 /nfs/dbraw/zinc/59/43/92/876594392.db2.gz ZXIGZFBAVLFJBA-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000173749167 876606903 /nfs/dbraw/zinc/60/69/03/876606903.db2.gz YNSYEBQLGGHILF-WOIUINJBSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173749167 876606910 /nfs/dbraw/zinc/60/69/10/876606910.db2.gz YNSYEBQLGGHILF-WOIUINJBSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000173749167 876606916 /nfs/dbraw/zinc/60/69/16/876606916.db2.gz YNSYEBQLGGHILF-WOIUINJBSA-N 2 1 386.584 3.685 20 0 GHADMP CCC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553300 876606931 /nfs/dbraw/zinc/60/69/31/876606931.db2.gz BJGFGXLNHYTXAG-XXBNENTESA-N 2 1 396.579 3.939 20 0 GHADMP CCC[N@@H+](C[C@H](O)[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553300 876606936 /nfs/dbraw/zinc/60/69/36/876606936.db2.gz BJGFGXLNHYTXAG-XXBNENTESA-N 2 1 396.579 3.939 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(C)c1OCc1ccccn1 ZINC000850397324 876879060 /nfs/dbraw/zinc/87/90/60/876879060.db2.gz VYODYERZARCJIJ-QHCPKHFHSA-N 2 1 395.547 3.620 20 0 GHADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC000850402593 876883012 /nfs/dbraw/zinc/88/30/12/876883012.db2.gz PIGVTBSBHICORQ-MRXNPFEDSA-N 2 1 378.442 3.820 20 0 GHADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC000850402593 876883024 /nfs/dbraw/zinc/88/30/24/876883024.db2.gz PIGVTBSBHICORQ-MRXNPFEDSA-N 2 1 378.442 3.820 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCNC3=O)cc2)cc1 ZINC000850576875 877047492 /nfs/dbraw/zinc/04/74/92/877047492.db2.gz QPUDABYTULJUMA-QGZVFWFLSA-N 2 1 389.503 3.951 20 0 GHADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000263278685 877290026 /nfs/dbraw/zinc/29/00/26/877290026.db2.gz TWLXTQQBUCSCAE-UYAOXDASSA-N 2 1 397.485 3.647 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000174879914 877304632 /nfs/dbraw/zinc/30/46/32/877304632.db2.gz FLKDXKMDZLSWKX-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000136747357 877362670 /nfs/dbraw/zinc/36/26/70/877362670.db2.gz YAZZFNAIFAWDKE-GOTSBHOMSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001183066160 912257887 /nfs/dbraw/zinc/25/78/87/912257887.db2.gz VHUXNXAMXYHMRU-BZUAXINKSA-N 2 1 377.520 3.587 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001183066160 912257893 /nfs/dbraw/zinc/25/78/93/912257893.db2.gz VHUXNXAMXYHMRU-BZUAXINKSA-N 2 1 377.520 3.587 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000451276213 877698392 /nfs/dbraw/zinc/69/83/92/877698392.db2.gz ZWSAFZGXVWTHIF-BLKABHOGSA-N 2 1 394.987 3.526 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000451276213 877698394 /nfs/dbraw/zinc/69/83/94/877698394.db2.gz ZWSAFZGXVWTHIF-BLKABHOGSA-N 2 1 394.987 3.526 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000451276213 877698398 /nfs/dbraw/zinc/69/83/98/877698398.db2.gz ZWSAFZGXVWTHIF-BLKABHOGSA-N 2 1 394.987 3.526 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000175519043 877749849 /nfs/dbraw/zinc/74/98/49/877749849.db2.gz YMCXOBZYMXHKDV-BJLQDIEVSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175519043 877749863 /nfs/dbraw/zinc/74/98/63/877749863.db2.gz YMCXOBZYMXHKDV-BJLQDIEVSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175519043 877749882 /nfs/dbraw/zinc/74/98/82/877749882.db2.gz YMCXOBZYMXHKDV-BJLQDIEVSA-N 2 1 392.613 3.647 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000551778896 877794832 /nfs/dbraw/zinc/79/48/32/877794832.db2.gz JJRNXRUKUCYEPP-RTBURBONSA-N 2 1 383.502 3.957 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334626 877821111 /nfs/dbraw/zinc/82/11/11/877821111.db2.gz CNFUWCVVSOIFFF-RGHZCETMSA-N 2 1 390.612 3.574 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1C/C=C\C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334626 877821120 /nfs/dbraw/zinc/82/11/20/877821120.db2.gz CNFUWCVVSOIFFF-RGHZCETMSA-N 2 1 390.612 3.574 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C/C=C\C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334626 877821126 /nfs/dbraw/zinc/82/11/26/877821126.db2.gz CNFUWCVVSOIFFF-RGHZCETMSA-N 2 1 390.612 3.574 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000551791585 877834457 /nfs/dbraw/zinc/83/44/57/877834457.db2.gz RQCWVOXBBZMELB-APCXCHCSSA-N 2 1 394.559 3.660 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000551791585 877834466 /nfs/dbraw/zinc/83/44/66/877834466.db2.gz RQCWVOXBBZMELB-APCXCHCSSA-N 2 1 394.559 3.660 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000615621124 877928391 /nfs/dbraw/zinc/92/83/91/877928391.db2.gz KBLTYZUEVTYAPI-QFIPXVFZSA-N 2 1 388.600 3.614 20 0 GHADMP Clc1ccc2c(n1)[C@@H]([NH2+]CCCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000788544431 878140289 /nfs/dbraw/zinc/14/02/89/878140289.db2.gz DKMGXEZLAZKRFX-NRFANRHFSA-N 2 1 398.982 3.910 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc(Br)ccc1F ZINC000788648121 878207533 /nfs/dbraw/zinc/20/75/33/878207533.db2.gz XKHQSZVQWFEYMU-MJBXVCDLSA-N 2 1 388.325 3.523 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1cccs1 ZINC000245667291 878319878 /nfs/dbraw/zinc/31/98/78/878319878.db2.gz DXJBQKJOMBOXFJ-PXNSSMCTSA-N 2 1 392.613 3.743 20 0 GHADMP C(CCCC[NH+]1CC[C@@H]2COC[C@@H]2C1)CCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664761 878501864 /nfs/dbraw/zinc/50/18/64/878501864.db2.gz CUBHRCOSRMUTMJ-LUKWVAJMSA-N 2 1 378.601 3.654 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000537976681 878612192 /nfs/dbraw/zinc/61/21/92/878612192.db2.gz GGMDLWRYIUXGDS-NZQKXSOJSA-N 2 1 391.559 3.856 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000537976681 878612201 /nfs/dbraw/zinc/61/22/01/878612201.db2.gz GGMDLWRYIUXGDS-NZQKXSOJSA-N 2 1 391.559 3.856 20 0 GHADMP O=C(C=C1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000852860225 878637106 /nfs/dbraw/zinc/63/71/06/878637106.db2.gz NXWQHGYLTNWZBE-UHFFFAOYSA-N 2 1 399.535 3.508 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000177449054 878708055 /nfs/dbraw/zinc/70/80/55/878708055.db2.gz FPOOHNFILMLDRT-IBGZPJMESA-N 2 1 387.543 3.561 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000245909729 878735711 /nfs/dbraw/zinc/73/57/11/878735711.db2.gz FRYSSTYVEPYPQQ-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000245909729 878735724 /nfs/dbraw/zinc/73/57/24/878735724.db2.gz FRYSSTYVEPYPQQ-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000245909729 878735745 /nfs/dbraw/zinc/73/57/45/878735745.db2.gz FRYSSTYVEPYPQQ-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000245965422 878807694 /nfs/dbraw/zinc/80/76/94/878807694.db2.gz DXIUWCXERXWSKQ-OALUTQOASA-N 2 1 381.358 3.727 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1c(F)cccc1F ZINC000853120252 878827768 /nfs/dbraw/zinc/82/77/68/878827768.db2.gz JBOBUOLLEPZCHP-GHTZIAJQSA-N 2 1 386.486 3.890 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000531020616 878929049 /nfs/dbraw/zinc/92/90/49/878929049.db2.gz WYGFCKBNZOHOSB-UTKZUKDTSA-N 2 1 381.524 3.512 20 0 GHADMP CCn1cc([C@@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000538195229 879015698 /nfs/dbraw/zinc/01/56/98/879015698.db2.gz QIAXREJARJQJFW-HSALFYBXSA-N 2 1 384.568 3.763 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246160005 879077282 /nfs/dbraw/zinc/07/72/82/879077282.db2.gz DWKOQYXDNDAYEN-TZIWHRDSSA-N 2 1 388.600 3.516 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000776689317 879205164 /nfs/dbraw/zinc/20/51/64/879205164.db2.gz UFGCFDGJLRZVCG-FXAWDEMLSA-N 2 1 393.597 3.978 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000776689317 879205174 /nfs/dbraw/zinc/20/51/74/879205174.db2.gz UFGCFDGJLRZVCG-FXAWDEMLSA-N 2 1 393.597 3.978 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246307643 879367993 /nfs/dbraw/zinc/36/79/93/879367993.db2.gz NMRRTMOEGMOXHN-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2)ncn1 ZINC000246332911 879405778 /nfs/dbraw/zinc/40/57/78/879405778.db2.gz GHWDSNGYDYFYMW-UTKZUKDTSA-N 2 1 390.535 3.853 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C(C)C)c1 ZINC000643085345 912453796 /nfs/dbraw/zinc/45/37/96/912453796.db2.gz MZKDIIQNLJPXPH-XZOQPEGZSA-N 2 1 398.595 3.654 20 0 GHADMP CC1CC[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246343849 879433150 /nfs/dbraw/zinc/43/31/50/879433150.db2.gz OXJVFWHIAQUIRD-UYAOXDASSA-N 2 1 392.613 3.552 20 0 GHADMP CC1(C)C[N@@H+](CCC(=O)N2CCCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045242 879471999 /nfs/dbraw/zinc/47/19/99/879471999.db2.gz WQPOAOVOPDCJMR-HSZRJFAPSA-N 2 1 383.580 3.622 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246529236 879659174 /nfs/dbraw/zinc/65/91/74/879659174.db2.gz CMHBTXRGZRXHQG-POAQFYNOSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529236 879659180 /nfs/dbraw/zinc/65/91/80/879659180.db2.gz CMHBTXRGZRXHQG-POAQFYNOSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246529236 879659194 /nfs/dbraw/zinc/65/91/94/879659194.db2.gz CMHBTXRGZRXHQG-POAQFYNOSA-N 2 1 382.470 3.558 20 0 GHADMP Cc1cccc(C)c1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000531406066 879772106 /nfs/dbraw/zinc/77/21/06/879772106.db2.gz DIIQLEMOMVOHRZ-UHFFFAOYSA-N 2 1 393.575 3.764 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000246802394 879807772 /nfs/dbraw/zinc/80/77/72/879807772.db2.gz AEVIWSMUPXVYBI-CEXWTWQISA-N 2 1 396.531 3.918 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246823245 879816743 /nfs/dbraw/zinc/81/67/43/879816743.db2.gz NUZSFZAKEHMJLG-NWSQWKLXSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246823245 879816752 /nfs/dbraw/zinc/81/67/52/879816752.db2.gz NUZSFZAKEHMJLG-NWSQWKLXSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246823245 879816761 /nfs/dbraw/zinc/81/67/61/879816761.db2.gz NUZSFZAKEHMJLG-NWSQWKLXSA-N 2 1 380.532 3.528 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000246924901 879851574 /nfs/dbraw/zinc/85/15/74/879851574.db2.gz NBYQIWWCEKLWBL-MZYLBHOOSA-N 2 1 399.579 3.555 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000247006956 879881608 /nfs/dbraw/zinc/88/16/08/879881608.db2.gz LXNMDFJQESTDGB-HZPDHXFCSA-N 2 1 396.373 3.876 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000247025443 879889460 /nfs/dbraw/zinc/88/94/60/879889460.db2.gz QSZFWGWZCOWXCE-GUDVDZBRSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247035649 879895769 /nfs/dbraw/zinc/89/57/69/879895769.db2.gz RNDOLEYAXKMHBD-NJYVYQBISA-N 2 1 383.580 3.546 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC000247342465 879976531 /nfs/dbraw/zinc/97/65/31/879976531.db2.gz AEHISXVJXDMGFS-FNXHNPQUSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000247342465 879976539 /nfs/dbraw/zinc/97/65/39/879976539.db2.gz AEHISXVJXDMGFS-FNXHNPQUSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000247342465 879976543 /nfs/dbraw/zinc/97/65/43/879976543.db2.gz AEHISXVJXDMGFS-FNXHNPQUSA-N 2 1 398.595 3.876 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494213545 879997620 /nfs/dbraw/zinc/99/76/20/879997620.db2.gz UNUZCDUWJRPHQN-MOXGXCLJSA-N 2 1 381.923 3.603 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494213545 879997626 /nfs/dbraw/zinc/99/76/26/879997626.db2.gz UNUZCDUWJRPHQN-MOXGXCLJSA-N 2 1 381.923 3.603 20 0 GHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182911185 880036037 /nfs/dbraw/zinc/03/60/37/880036037.db2.gz MMDSDPLKZBJRLW-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911185 880036053 /nfs/dbraw/zinc/03/60/53/880036053.db2.gz MMDSDPLKZBJRLW-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182911185 880036070 /nfs/dbraw/zinc/03/60/70/880036070.db2.gz MMDSDPLKZBJRLW-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000183155465 880064169 /nfs/dbraw/zinc/06/41/69/880064169.db2.gz GOZVEDZKEIETSS-AFXVXQJMSA-N 2 1 376.548 3.551 20 0 GHADMP C[N@H+](CCC(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1)C1CCCCC1 ZINC000791123896 880196070 /nfs/dbraw/zinc/19/60/70/880196070.db2.gz SSJFYJZGIMDKOY-UHFFFAOYSA-N 2 1 394.563 3.534 20 0 GHADMP C[N@@H+](CCC(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1)C1CCCCC1 ZINC000791123896 880196126 /nfs/dbraw/zinc/19/61/26/880196126.db2.gz SSJFYJZGIMDKOY-UHFFFAOYSA-N 2 1 394.563 3.534 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CCC2 ZINC000531677624 880305334 /nfs/dbraw/zinc/30/53/34/880305334.db2.gz ODAIWXQWXYNNAO-NHCUHLMSSA-N 2 1 385.577 3.712 20 0 GHADMP C[C@H](NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000184750589 880373064 /nfs/dbraw/zinc/37/30/64/880373064.db2.gz GEODHGKCLBBAIM-UFYCRDLUSA-N 2 1 379.548 3.610 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453056391 880406764 /nfs/dbraw/zinc/40/67/64/880406764.db2.gz BWMUJNCKRUNWFM-NCYKPQTJSA-N 2 1 395.513 3.903 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)C3CC[NH+](C4CC4)CC3)sc2c1)C1CC1 ZINC000855469913 880535770 /nfs/dbraw/zinc/53/57/70/880535770.db2.gz WXPZEJWXFKBGHW-UHFFFAOYSA-N 2 1 384.549 3.703 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000453224954 880645921 /nfs/dbraw/zinc/64/59/21/880645921.db2.gz CFUQCRWCYULMJK-XLIONFOSSA-N 2 1 390.959 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000453224954 880645926 /nfs/dbraw/zinc/64/59/26/880645926.db2.gz CFUQCRWCYULMJK-XLIONFOSSA-N 2 1 390.959 3.752 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453280835 880723389 /nfs/dbraw/zinc/72/33/89/880723389.db2.gz MRFGFISCFOHOIT-RBUKOAKNSA-N 2 1 385.596 3.947 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453280835 880723401 /nfs/dbraw/zinc/72/34/01/880723401.db2.gz MRFGFISCFOHOIT-RBUKOAKNSA-N 2 1 385.596 3.947 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1)C(N)=O ZINC000453273587 880756476 /nfs/dbraw/zinc/75/64/76/880756476.db2.gz FVIMFXXTOPREER-LNRXMEIDSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1)C(N)=O ZINC000453273587 880756481 /nfs/dbraw/zinc/75/64/81/880756481.db2.gz FVIMFXXTOPREER-LNRXMEIDSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1)C(N)=O ZINC000453273587 880756491 /nfs/dbraw/zinc/75/64/91/880756491.db2.gz FVIMFXXTOPREER-LNRXMEIDSA-N 2 1 383.580 3.511 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000531932481 880783802 /nfs/dbraw/zinc/78/38/02/880783802.db2.gz NJRQHRCFDNBTLT-GUYCJALGSA-N 2 1 383.483 3.805 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000531936607 880790582 /nfs/dbraw/zinc/79/05/82/880790582.db2.gz RGOKVVWXHBGGDT-BGYRXZFFSA-N 2 1 393.579 3.713 20 0 GHADMP Cn1c(C[NH+]2CCC(CCC[NH+](C)C)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186458901 880891644 /nfs/dbraw/zinc/89/16/44/880891644.db2.gz MXKZTKHLEGNIOA-UHFFFAOYSA-N 2 1 375.948 3.689 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000792286317 881014442 /nfs/dbraw/zinc/01/44/42/881014442.db2.gz OXRKATMWYXTZEX-XXBNENTESA-N 2 1 394.563 3.581 20 0 GHADMP Nc1cn(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001183564849 912633887 /nfs/dbraw/zinc/63/38/87/912633887.db2.gz VELWVAHQLGBVMD-GOSISDBHSA-N 2 1 390.462 3.518 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2=O)c(C)c1 ZINC000249044080 912637652 /nfs/dbraw/zinc/63/76/52/912637652.db2.gz HEQOQDWATLJGRS-ONTIZHBOSA-N 2 1 383.580 3.960 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)C2=O)c(C)c1 ZINC000249044080 912637658 /nfs/dbraw/zinc/63/76/58/912637658.db2.gz HEQOQDWATLJGRS-ONTIZHBOSA-N 2 1 383.580 3.960 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC000792334476 881065624 /nfs/dbraw/zinc/06/56/24/881065624.db2.gz XQOGKYCTTNFGDX-UHFFFAOYSA-N 2 1 379.589 3.976 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000537622336 881098620 /nfs/dbraw/zinc/09/86/20/881098620.db2.gz WNFMEUNLIUAUFF-YKSBVNFPSA-N 2 1 393.575 3.820 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000537622336 881098643 /nfs/dbraw/zinc/09/86/43/881098643.db2.gz WNFMEUNLIUAUFF-YKSBVNFPSA-N 2 1 393.575 3.820 20 0 GHADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1C)CC2 ZINC000499103719 881129193 /nfs/dbraw/zinc/12/91/93/881129193.db2.gz VTOQBXVISGYPKL-QHCPKHFHSA-N 2 1 377.488 3.856 20 0 GHADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1C)CC2 ZINC000499103719 881129199 /nfs/dbraw/zinc/12/91/99/881129199.db2.gz VTOQBXVISGYPKL-QHCPKHFHSA-N 2 1 377.488 3.856 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000119939739 881218543 /nfs/dbraw/zinc/21/85/43/881218543.db2.gz UYNNGNMXRFXXLS-LJQANCHMSA-N 2 1 397.567 3.798 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000119939739 881218556 /nfs/dbraw/zinc/21/85/56/881218556.db2.gz UYNNGNMXRFXXLS-LJQANCHMSA-N 2 1 397.567 3.798 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000429533470 881274068 /nfs/dbraw/zinc/27/40/68/881274068.db2.gz WTAGOTFAMUVDIE-UGKGYDQZSA-N 2 1 385.577 3.760 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000120070123 881308860 /nfs/dbraw/zinc/30/88/60/881308860.db2.gz AETWLZDPLJOPNO-LJQANCHMSA-N 2 1 397.567 3.798 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000120070123 881308888 /nfs/dbraw/zinc/30/88/88/881308888.db2.gz AETWLZDPLJOPNO-LJQANCHMSA-N 2 1 397.567 3.798 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000476799570 883183044 /nfs/dbraw/zinc/18/30/44/883183044.db2.gz AEQDKHJSCSTWQS-KNQAVFIVSA-N 2 1 386.584 3.909 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000551086936 883262420 /nfs/dbraw/zinc/26/24/20/883262420.db2.gz GQURJNNSMPSCRY-WMZOPIPTSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000551086936 883262439 /nfs/dbraw/zinc/26/24/39/883262439.db2.gz GQURJNNSMPSCRY-WMZOPIPTSA-N 2 1 379.426 3.904 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3nccn3Cc3ccccc3)cc2)CC1 ZINC000551227796 883498888 /nfs/dbraw/zinc/49/88/88/883498888.db2.gz UUIJPOBFBRCFQU-UHFFFAOYSA-N 2 1 390.531 3.694 20 0 GHADMP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476971148 883504618 /nfs/dbraw/zinc/50/46/18/883504618.db2.gz JLNMKEBKDXSHNZ-NHCUHLMSSA-N 2 1 385.596 3.710 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1Cl ZINC000465430178 883644097 /nfs/dbraw/zinc/64/40/97/883644097.db2.gz YIVCUJFNLYRITH-QFBILLFUSA-N 2 1 380.964 3.506 20 0 GHADMP O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000186467058 883648389 /nfs/dbraw/zinc/64/83/89/883648389.db2.gz ISKDYJQMVVYWAP-IAGOWNOFSA-N 2 1 395.469 3.526 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213176 883665778 /nfs/dbraw/zinc/66/57/78/883665778.db2.gz UWANPFOHEVALOT-FXAWDEMLSA-N 2 1 385.577 3.994 20 0 GHADMP Clc1ccccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911316 883671907 /nfs/dbraw/zinc/67/19/07/883671907.db2.gz QQHZBBFJHSLCML-QGZVFWFLSA-N 2 1 380.879 3.579 20 0 GHADMP Clc1ccccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911316 883671911 /nfs/dbraw/zinc/67/19/11/883671911.db2.gz QQHZBBFJHSLCML-QGZVFWFLSA-N 2 1 380.879 3.579 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000194272570 883743938 /nfs/dbraw/zinc/74/39/38/883743938.db2.gz YVOIRKMSPITBJU-KDURUIRLSA-N 2 1 383.580 3.655 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)[NH+](C)C)cc1 ZINC000465433749 883745638 /nfs/dbraw/zinc/74/56/38/883745638.db2.gz OCJSCYBTPOKWSP-FSSWDIPSSA-N 2 1 386.584 3.508 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000465434682 883755300 /nfs/dbraw/zinc/75/53/00/883755300.db2.gz RPCWBPDQPWHIIO-TZIWHRDSSA-N 2 1 396.579 3.958 20 0 GHADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000859390086 883789750 /nfs/dbraw/zinc/78/97/50/883789750.db2.gz TZZRMRDDEFOTNY-HXUWFJFHSA-N 2 1 387.487 3.508 20 0 GHADMP Cc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(F)c1F ZINC001211911930 883983826 /nfs/dbraw/zinc/98/38/26/883983826.db2.gz VKXPBXNUCGNTLC-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(F)c1F ZINC001211911930 883983842 /nfs/dbraw/zinc/98/38/42/883983842.db2.gz VKXPBXNUCGNTLC-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(Cl)cs1 ZINC000760418258 884069094 /nfs/dbraw/zinc/06/90/94/884069094.db2.gz MIRJRKZELSSJQE-UHFFFAOYSA-N 2 1 383.989 3.670 20 0 GHADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918609 884299503 /nfs/dbraw/zinc/29/95/03/884299503.db2.gz HGXBNBLEEUGFAE-AZUAARDMSA-N 2 1 381.520 3.524 20 0 GHADMP Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000542534247 884395654 /nfs/dbraw/zinc/39/56/54/884395654.db2.gz ZDRPPDWWQNUXEA-ABSDTBQOSA-N 2 1 385.577 3.795 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898101839 884608045 /nfs/dbraw/zinc/60/80/45/884608045.db2.gz ZRHZTKQSJSVXSG-AYWYSENESA-N 2 1 387.568 3.790 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@@H](C)C1 ZINC000249463830 912846257 /nfs/dbraw/zinc/84/62/57/912846257.db2.gz RQVOOWSFPSEKTK-GHTZIAJQSA-N 2 1 386.536 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@@H](C)C1 ZINC000249463830 912846267 /nfs/dbraw/zinc/84/62/67/912846267.db2.gz RQVOOWSFPSEKTK-GHTZIAJQSA-N 2 1 386.536 3.636 20 0 GHADMP Fc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1Br ZINC001137552089 884689431 /nfs/dbraw/zinc/68/94/31/884689431.db2.gz IMJJVHJAEYAZMD-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130644398 884924164 /nfs/dbraw/zinc/92/41/64/884924164.db2.gz WBQAHFXJPQQOSN-JOCHJYFZSA-N 2 1 388.600 3.648 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000550586966 885059353 /nfs/dbraw/zinc/05/93/53/885059353.db2.gz FMMMPGJQYKDNPO-OALUTQOASA-N 2 1 377.532 3.607 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130833794 885196249 /nfs/dbraw/zinc/19/62/49/885196249.db2.gz TZCLABQGVCBWKL-QFIPXVFZSA-N 2 1 398.551 3.666 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130833794 885196257 /nfs/dbraw/zinc/19/62/57/885196257.db2.gz TZCLABQGVCBWKL-QFIPXVFZSA-N 2 1 398.551 3.666 20 0 GHADMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[NH+]1CCCCC1 ZINC000104285431 885352706 /nfs/dbraw/zinc/35/27/06/885352706.db2.gz NTBUPDSHKNEXPX-NRFANRHFSA-N 2 1 393.522 3.556 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000532447983 885495868 /nfs/dbraw/zinc/49/58/68/885495868.db2.gz JGRATSYTFXGUQV-KZNAEPCWSA-N 2 1 379.976 3.787 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000532447983 885495877 /nfs/dbraw/zinc/49/58/77/885495877.db2.gz JGRATSYTFXGUQV-KZNAEPCWSA-N 2 1 379.976 3.787 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000455878784 885563724 /nfs/dbraw/zinc/56/37/24/885563724.db2.gz QFPRPYXRTMZEQX-SFTDATJTSA-N 2 1 396.535 3.669 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C[C@H]1c1ccccc1 ZINC000550678917 885848613 /nfs/dbraw/zinc/84/86/13/885848613.db2.gz YQCOZJOUKJINRY-PKTZIBPZSA-N 2 1 385.596 3.694 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C[C@H]1c1ccccc1 ZINC000550678917 885848620 /nfs/dbraw/zinc/84/86/20/885848620.db2.gz YQCOZJOUKJINRY-PKTZIBPZSA-N 2 1 385.596 3.694 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000524233944 886197356 /nfs/dbraw/zinc/19/73/56/886197356.db2.gz JIYWCSVTJYIHFZ-FQEVSTJZSA-N 2 1 379.976 3.913 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000524233944 886197363 /nfs/dbraw/zinc/19/73/63/886197363.db2.gz JIYWCSVTJYIHFZ-FQEVSTJZSA-N 2 1 379.976 3.913 20 0 GHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000556822645 886238020 /nfs/dbraw/zinc/23/80/20/886238020.db2.gz OTTIMOGGCTVLGI-OAQYLSRUSA-N 2 1 380.536 3.736 20 0 GHADMP Clc1ccc(I)cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235106836 886240026 /nfs/dbraw/zinc/24/00/26/886240026.db2.gz RNWYYHNQPBYQJO-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Br)c1OC ZINC000056494151 886303144 /nfs/dbraw/zinc/30/31/44/886303144.db2.gz QIMMPSWSSXFEJZ-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000808451201 886361784 /nfs/dbraw/zinc/36/17/84/886361784.db2.gz HLVCSFSDZVVZIJ-QAQDUYKDSA-N 2 1 376.545 3.568 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000648790403 886372393 /nfs/dbraw/zinc/37/23/93/886372393.db2.gz LFVYARHHAABJFU-GOSISDBHSA-N 2 1 384.524 3.818 20 0 GHADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000556885791 886454531 /nfs/dbraw/zinc/45/45/31/886454531.db2.gz IEBZORZGAGPPLB-MVWVFHAYSA-N 2 1 387.568 3.505 20 0 GHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808680316 886636986 /nfs/dbraw/zinc/63/69/86/886636986.db2.gz KFKDMDLHBIQHSN-JSXRDJHFSA-N 2 1 387.568 3.996 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808680316 886636991 /nfs/dbraw/zinc/63/69/91/886636991.db2.gz KFKDMDLHBIQHSN-JSXRDJHFSA-N 2 1 387.568 3.996 20 0 GHADMP COc1ccccc1/C=C\C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537619444 886729003 /nfs/dbraw/zinc/72/90/03/886729003.db2.gz DUZLPHNBHNXWEI-VURMDHGXSA-N 2 1 385.596 3.837 20 0 GHADMP COc1ccccc1/C=C\C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537619444 886729020 /nfs/dbraw/zinc/72/90/20/886729020.db2.gz DUZLPHNBHNXWEI-VURMDHGXSA-N 3 1 385.596 3.837 20 0 GHADMP COc1ccccc1/C=C\C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537619444 886729037 /nfs/dbraw/zinc/72/90/37/886729037.db2.gz DUZLPHNBHNXWEI-VURMDHGXSA-N 3 1 385.596 3.837 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000465503570 886814643 /nfs/dbraw/zinc/81/46/43/886814643.db2.gz DCORUBCLUZBIFV-YADHBBJMSA-N 2 1 386.584 3.504 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC001184265008 913106394 /nfs/dbraw/zinc/10/63/94/913106394.db2.gz NQLYMTKAFZGIMC-HSALFYBXSA-N 2 1 384.545 3.925 20 0 GHADMP O[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cc(F)ccc1F ZINC000762928022 887112690 /nfs/dbraw/zinc/11/26/90/887112690.db2.gz ZKSIWLYMVQVZOD-JOCHJYFZSA-N 2 1 386.486 3.986 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cnc3ccc(Br)cn23)cc1 ZINC000809737794 887773510 /nfs/dbraw/zinc/77/35/10/887773510.db2.gz LIXHTSOHLDZBLU-UHFFFAOYSA-N 2 1 387.325 3.790 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454268272 887954946 /nfs/dbraw/zinc/95/49/46/887954946.db2.gz PZZDDHOXDMBDNX-LJQANCHMSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cnc(Cl)c(F)c3)cc2)C[C@H](C)O1 ZINC000865408174 888326258 /nfs/dbraw/zinc/32/62/58/888326258.db2.gz PKEMXUHNMRFVAW-GASCZTMLSA-N 2 1 377.891 3.773 20 0 GHADMP Cc1ccnc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1Br ZINC000865447090 888359454 /nfs/dbraw/zinc/35/94/54/888359454.db2.gz LWPBHTYATYKDCM-UHFFFAOYSA-N 2 1 392.341 3.773 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865523788 888406874 /nfs/dbraw/zinc/40/68/74/888406874.db2.gz FHPAZSCFDFHXQP-QGZVFWFLSA-N 2 1 398.400 3.581 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCc3ccccc3C[N@@H+](C)C(C)C)CC2)[nH+]c1 ZINC000194153704 888561167 /nfs/dbraw/zinc/56/11/67/888561167.db2.gz KLWFIRYFQJSGGM-UHFFFAOYSA-N 2 1 394.563 3.763 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCc3ccccc3C[N@H+](C)C(C)C)CC2)[nH+]c1 ZINC000194153704 888561184 /nfs/dbraw/zinc/56/11/84/888561184.db2.gz KLWFIRYFQJSGGM-UHFFFAOYSA-N 2 1 394.563 3.763 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245683658 889219624 /nfs/dbraw/zinc/21/96/24/889219624.db2.gz GSKGNRXEFGQCOD-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245683658 889219639 /nfs/dbraw/zinc/21/96/39/889219639.db2.gz GSKGNRXEFGQCOD-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245683658 889219653 /nfs/dbraw/zinc/21/96/53/889219653.db2.gz GSKGNRXEFGQCOD-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000868184309 889340405 /nfs/dbraw/zinc/34/04/05/889340405.db2.gz MNDRQJIOLRRVSJ-BULFRSBZSA-N 2 1 378.520 3.630 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000644526917 913340630 /nfs/dbraw/zinc/34/06/30/913340630.db2.gz HYKJFXYZZVPIPX-UPVQGACJSA-N 2 1 382.548 3.683 20 0 GHADMP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000124026623 889483592 /nfs/dbraw/zinc/48/35/92/889483592.db2.gz HCGHFGJWNDKIST-JOCHJYFZSA-N 2 1 395.522 3.507 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1Br ZINC000124380828 889614393 /nfs/dbraw/zinc/61/43/93/889614393.db2.gz DAFOHDODVWFVRS-AWEZNQCLSA-N 2 1 386.353 3.512 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124562121 889674914 /nfs/dbraw/zinc/67/49/14/889674914.db2.gz ZNZGMGWJGKOHNP-GFCCVEGCSA-N 2 1 376.136 3.643 20 0 GHADMP CCC(CC)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000533267609 890173403 /nfs/dbraw/zinc/17/34/03/890173403.db2.gz IYDWPZPPVRXGSM-UHFFFAOYSA-N 2 1 375.582 3.827 20 0 GHADMP O=C1NCCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1Cc1ccccc1 ZINC001170660805 890333035 /nfs/dbraw/zinc/33/30/35/890333035.db2.gz FWDFDSOPXPZEDR-DEOSSOPVSA-N 2 1 391.559 3.606 20 0 GHADMP Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000533488220 890703977 /nfs/dbraw/zinc/70/39/77/890703977.db2.gz ODQPAIPDPUNNIG-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000533488220 890703985 /nfs/dbraw/zinc/70/39/85/890703985.db2.gz ODQPAIPDPUNNIG-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126834601 890771033 /nfs/dbraw/zinc/77/10/33/890771033.db2.gz KOOGVQDBQCEKEB-LSDHHAIUSA-N 2 1 397.386 3.597 20 0 GHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126834601 890771043 /nfs/dbraw/zinc/77/10/43/890771043.db2.gz KOOGVQDBQCEKEB-LSDHHAIUSA-N 2 1 397.386 3.597 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872026216 891124423 /nfs/dbraw/zinc/12/44/23/891124423.db2.gz ZFVGJPULYKJSBQ-FUHWJXTLSA-N 2 1 378.314 3.712 20 0 GHADMP CC[C@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000872036902 891128854 /nfs/dbraw/zinc/12/88/54/891128854.db2.gz WOWAMUAUGVPWIT-ZWKOTPCHSA-N 2 1 385.474 3.595 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000246486338 891274855 /nfs/dbraw/zinc/27/48/55/891274855.db2.gz RGWJYGFINVBPET-CGBFIWBNSA-N 2 1 392.613 3.503 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000246486338 891274870 /nfs/dbraw/zinc/27/48/70/891274870.db2.gz RGWJYGFINVBPET-CGBFIWBNSA-N 2 1 392.613 3.503 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000246486338 891274877 /nfs/dbraw/zinc/27/48/77/891274877.db2.gz RGWJYGFINVBPET-CGBFIWBNSA-N 2 1 392.613 3.503 20 0 GHADMP FC(F)(F)c1cnc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(Cl)c1 ZINC000247004844 891331989 /nfs/dbraw/zinc/33/19/89/891331989.db2.gz UGQSYQUWDWHTTA-SOUVJXGZSA-N 2 1 388.865 3.549 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)[nH+]1 ZINC000128103810 891416968 /nfs/dbraw/zinc/41/69/68/891416968.db2.gz XRHATGDRUJCTNB-INIZCTEOSA-N 2 1 378.520 3.939 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000161656011 891773817 /nfs/dbraw/zinc/77/38/17/891773817.db2.gz JIXDNUXGPWWKON-KRWDZBQOSA-N 2 1 378.582 3.928 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](COC)Cc3ccccc3)CC2)cs1 ZINC000161783311 891816572 /nfs/dbraw/zinc/81/65/72/891816572.db2.gz ZZRIQCUKMAQYDH-FQEVSTJZSA-N 2 1 387.593 3.765 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](COC)Cc3ccccc3)CC2)cs1 ZINC000161783415 891816910 /nfs/dbraw/zinc/81/69/10/891816910.db2.gz ZZRIQCUKMAQYDH-HXUWFJFHSA-N 2 1 387.593 3.765 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnn(C(C)C)c2)CC3)c1 ZINC001137076332 891959312 /nfs/dbraw/zinc/95/93/12/891959312.db2.gz BFWYOBLEBFBKCV-UHFFFAOYSA-N 2 1 382.552 3.961 20 0 GHADMP S=c1oc2cc(Cl)ccc2n1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000917460562 891999853 /nfs/dbraw/zinc/99/98/53/891999853.db2.gz DCOLMOTYWBVDOC-UHFFFAOYSA-N 2 1 381.929 3.619 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261788434 892114501 /nfs/dbraw/zinc/11/45/01/892114501.db2.gz KCJOTVDOHOWZHZ-XAUMDUMWSA-N 2 1 397.485 3.594 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000237566079 892274282 /nfs/dbraw/zinc/27/42/82/892274282.db2.gz UBOONDFDNTZLRL-SFHVURJKSA-N 2 1 388.515 3.679 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccccc1)CCO3)C2 ZINC001168273589 892279233 /nfs/dbraw/zinc/27/92/33/892279233.db2.gz MZRYGWFOARHIDR-HSZRJFAPSA-N 2 1 392.543 3.529 20 0 GHADMP C[N@@H+](Cc1cnc(-c2ccccc2F)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648586006 892333632 /nfs/dbraw/zinc/33/36/32/892333632.db2.gz KQJLWIACFKQGSI-KRWDZBQOSA-N 2 1 388.556 3.550 20 0 GHADMP CC(C)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cn1 ZINC000497821669 892504772 /nfs/dbraw/zinc/50/47/72/892504772.db2.gz JIFTUEJNDDASJK-PKTZIBPZSA-N 2 1 384.543 3.886 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000497906790 892704554 /nfs/dbraw/zinc/70/45/54/892704554.db2.gz FLYNHZHJHSOZIG-HXUWFJFHSA-N 2 1 397.485 3.518 20 0 GHADMP C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712513 892828744 /nfs/dbraw/zinc/82/87/44/892828744.db2.gz CTJOGHTUHNRILL-FPOVZHCZSA-N 2 1 397.538 3.663 20 0 GHADMP C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712606 892829179 /nfs/dbraw/zinc/82/91/79/892829179.db2.gz DEYJIBQJRHNVMG-FXAWDEMLSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723380 892988431 /nfs/dbraw/zinc/98/84/31/892988431.db2.gz WHXHSSVWOCDXFV-URXFXBBRSA-N 2 1 393.575 3.519 20 0 GHADMP COc1cc(NCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000508723507 892989690 /nfs/dbraw/zinc/98/96/90/892989690.db2.gz XJYYCSDFUGGTQG-UYAOXDASSA-N 2 1 383.536 3.616 20 0 GHADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC000933551481 893072612 /nfs/dbraw/zinc/07/26/12/893072612.db2.gz XYWWHYBJYTTWPX-JOCHJYFZSA-N 2 1 384.564 3.659 20 0 GHADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000876719725 893301054 /nfs/dbraw/zinc/30/10/54/893301054.db2.gz TUKSCGVMMNHXRA-DYESRHJHSA-N 2 1 395.551 3.600 20 0 GHADMP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000876757980 893316582 /nfs/dbraw/zinc/31/65/82/893316582.db2.gz GZGPLQWYVNWKMK-VOKGJARPSA-N 2 1 396.362 3.630 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000876906615 893381173 /nfs/dbraw/zinc/38/11/73/893381173.db2.gz DFEXZAALPOTQKA-DENIHFKCSA-N 2 1 399.560 3.516 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000876906615 893381188 /nfs/dbraw/zinc/38/11/88/893381188.db2.gz DFEXZAALPOTQKA-DENIHFKCSA-N 2 1 399.560 3.516 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815081333 893429797 /nfs/dbraw/zinc/42/97/97/893429797.db2.gz ZTVGJYVZLGUXNW-DEOSSOPVSA-N 2 1 384.564 3.944 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000459395567 893452949 /nfs/dbraw/zinc/45/29/49/893452949.db2.gz BGZSMLXRSXQBAS-GGAORHGYSA-N 2 1 393.575 3.566 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000536698095 893569560 /nfs/dbraw/zinc/56/95/60/893569560.db2.gz NKSJXYCPUZAYMI-SFHVURJKSA-N 2 1 388.506 3.931 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000536698095 893569573 /nfs/dbraw/zinc/56/95/73/893569573.db2.gz NKSJXYCPUZAYMI-SFHVURJKSA-N 2 1 388.506 3.931 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000536698095 893569592 /nfs/dbraw/zinc/56/95/92/893569592.db2.gz NKSJXYCPUZAYMI-SFHVURJKSA-N 2 1 388.506 3.931 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000536698095 893569612 /nfs/dbraw/zinc/56/96/12/893569612.db2.gz NKSJXYCPUZAYMI-SFHVURJKSA-N 2 1 388.506 3.931 20 0 GHADMP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000877405211 893593975 /nfs/dbraw/zinc/59/39/75/893593975.db2.gz FIKPTXHWEYNZOP-FPOVZHCZSA-N 2 1 398.595 3.922 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)C[C@@H](C)O1 ZINC000536710858 893618662 /nfs/dbraw/zinc/61/86/62/893618662.db2.gz XZFFUPFAWXZBQV-IAGOWNOFSA-N 2 1 390.959 3.699 20 0 GHADMP c1ccc(C[NH+]2CCC([C@H]3CCCCC[N@@H+]3CCN3CCCOCC3)CC2)cc1 ZINC000459514174 893673114 /nfs/dbraw/zinc/67/31/14/893673114.db2.gz BGJARVVQYNHSFT-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000563382989 893683818 /nfs/dbraw/zinc/68/38/18/893683818.db2.gz AEKSOUDQRYYLBZ-UHFFFAOYSA-N 2 1 389.971 3.642 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221629 893852345 /nfs/dbraw/zinc/85/23/45/893852345.db2.gz QXJVRYVPJIGPDC-FDDCHVKYSA-N 2 1 387.568 3.744 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198123 894086758 /nfs/dbraw/zinc/08/67/58/894086758.db2.gz SPQUDXZTGBZPQO-ZLNRFVROSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198123 894086771 /nfs/dbraw/zinc/08/67/71/894086771.db2.gz SPQUDXZTGBZPQO-ZLNRFVROSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198123 894086785 /nfs/dbraw/zinc/08/67/85/894086785.db2.gz SPQUDXZTGBZPQO-ZLNRFVROSA-N 2 1 384.564 3.559 20 0 GHADMP CC(=O)N(c1nc(CNCC[C@@H]2CCC[N@H+](C)C2)cs1)c1ccc(C)cc1 ZINC000459745851 894170167 /nfs/dbraw/zinc/17/01/67/894170167.db2.gz YNWHADQUVSUFFB-SFHVURJKSA-N 2 1 386.565 3.958 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cs1)c1ccc(C)cc1 ZINC000459745851 894170172 /nfs/dbraw/zinc/17/01/72/894170172.db2.gz YNWHADQUVSUFFB-SFHVURJKSA-N 2 1 386.565 3.958 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cs1)c1ccc(C)cc1 ZINC000459745851 894170176 /nfs/dbraw/zinc/17/01/76/894170176.db2.gz YNWHADQUVSUFFB-SFHVURJKSA-N 2 1 386.565 3.958 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)CC1 ZINC000563779955 894182276 /nfs/dbraw/zinc/18/22/76/894182276.db2.gz CXMFGQFSFRKVFV-KRWDZBQOSA-N 2 1 388.556 3.550 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000828011759 894258900 /nfs/dbraw/zinc/25/89/00/894258900.db2.gz UTIYCDAKUGJJRR-UXHICEINSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000828011759 894258917 /nfs/dbraw/zinc/25/89/17/894258917.db2.gz UTIYCDAKUGJJRR-UXHICEINSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000828011759 894258929 /nfs/dbraw/zinc/25/89/29/894258929.db2.gz UTIYCDAKUGJJRR-UXHICEINSA-N 2 1 379.589 3.830 20 0 GHADMP CN(CC[N@@H+](C)CC/C=C\c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000537046139 894263025 /nfs/dbraw/zinc/26/30/25/894263025.db2.gz SLTKWLYLJIEXSE-XQRVVYSFSA-N 2 1 394.401 3.810 20 0 GHADMP CC[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CCOCC1 ZINC000537096117 894306268 /nfs/dbraw/zinc/30/62/68/894306268.db2.gz HGXWVBPGLWDTMC-ROKPMTFOSA-N 2 1 388.596 3.991 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)C[N@H+]2C1 ZINC001135296054 894331796 /nfs/dbraw/zinc/33/17/96/894331796.db2.gz LFNCNQDLXYFASS-YSTOQKLRSA-N 2 1 389.609 3.758 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001135296572 894334763 /nfs/dbraw/zinc/33/47/63/894334763.db2.gz YAMYFUBBRKOREO-OALUTQOASA-N 2 1 377.598 3.758 20 0 GHADMP Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000564131302 894634332 /nfs/dbraw/zinc/63/43/32/894634332.db2.gz BMPICYWDUMPSNV-YADHBBJMSA-N 2 1 377.532 3.778 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000564131302 894634337 /nfs/dbraw/zinc/63/43/37/894634337.db2.gz BMPICYWDUMPSNV-YADHBBJMSA-N 2 1 377.532 3.778 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000564131302 894634340 /nfs/dbraw/zinc/63/43/40/894634340.db2.gz BMPICYWDUMPSNV-YADHBBJMSA-N 2 1 377.532 3.778 20 0 GHADMP CC1CCN(Cc2csc(NC(=O)C[N@@H+](C)C[C@H]3CC=CCC3)n2)CC1 ZINC000564154238 894657121 /nfs/dbraw/zinc/65/71/21/894657121.db2.gz YPJDVQIFOLFATM-KRWDZBQOSA-N 2 1 376.570 3.602 20 0 GHADMP CC1CCN(Cc2csc(NC(=O)CN(C)C[C@H]3CC=CCC3)n2)CC1 ZINC000564154238 894657124 /nfs/dbraw/zinc/65/71/24/894657124.db2.gz YPJDVQIFOLFATM-KRWDZBQOSA-N 2 1 376.570 3.602 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538450 895063908 /nfs/dbraw/zinc/06/39/08/895063908.db2.gz WIYBSESAZHAKIL-UNMCSNQZSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538450 895063933 /nfs/dbraw/zinc/06/39/33/895063933.db2.gz WIYBSESAZHAKIL-UNMCSNQZSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538450 895063952 /nfs/dbraw/zinc/06/39/52/895063952.db2.gz WIYBSESAZHAKIL-UNMCSNQZSA-N 2 1 380.532 3.966 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000564578005 895095087 /nfs/dbraw/zinc/09/50/87/895095087.db2.gz YLXTXXUCOKECBZ-UHFFFAOYSA-N 2 1 391.865 3.961 20 0 GHADMP CC(C)C[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000879703965 895243756 /nfs/dbraw/zinc/24/37/56/895243756.db2.gz HMXOHCJLWNQEFC-UHFFFAOYSA-N 2 1 382.508 3.881 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000564933546 895313426 /nfs/dbraw/zinc/31/34/26/895313426.db2.gz BQOKNURZYDGRJT-QIJUGHKUSA-N 2 1 379.548 3.882 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[NH+](CC)CC)cc1 ZINC000565094950 895387728 /nfs/dbraw/zinc/38/77/28/895387728.db2.gz WNYUWKUKYNILHR-IFMALSPDSA-N 2 1 382.552 3.516 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](Cc4ccccc4)[C@H]3C)CC2)CC1 ZINC000565187423 895448540 /nfs/dbraw/zinc/44/85/40/895448540.db2.gz CLIXMPAFDUPCFR-NFBKMPQASA-N 2 1 397.607 3.662 20 0 GHADMP CCc1ccc([C@@H]2CCN(C(=O)C3CC[NH+](C4CC[NH+](CC)CC4)CC3)C2)cc1 ZINC000565202335 895458290 /nfs/dbraw/zinc/45/82/90/895458290.db2.gz AFCDLOHZPWJFNS-HSZRJFAPSA-N 2 1 397.607 3.761 20 0 GHADMP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000817275212 895459492 /nfs/dbraw/zinc/45/94/92/895459492.db2.gz XTGUURLJWXVHQO-RTWAWAEBSA-N 2 1 386.561 3.668 20 0 GHADMP O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000817275212 895459505 /nfs/dbraw/zinc/45/95/05/895459505.db2.gz XTGUURLJWXVHQO-RTWAWAEBSA-N 2 1 386.561 3.668 20 0 GHADMP CN1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880137690 895537471 /nfs/dbraw/zinc/53/74/71/895537471.db2.gz JAQSBZRHHSVEBJ-CJRSTVEYSA-N 2 1 390.660 3.664 20 0 GHADMP CC(C)Oc1cccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000128314238 895594693 /nfs/dbraw/zinc/59/46/93/895594693.db2.gz CAVARCBQTHOYDR-XMMPIXPASA-N 2 1 382.548 3.804 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1SC(F)F ZINC000817984261 895994084 /nfs/dbraw/zinc/99/40/84/895994084.db2.gz XCJGGRKTKVFQSY-ODIFPOPNSA-N 2 1 399.551 3.877 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1)C[C@H]1CCCCO1 ZINC000565959184 896010539 /nfs/dbraw/zinc/01/05/39/896010539.db2.gz KULRJKHZRMTVHE-DENIHFKCSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1)C[C@H]1CCCCO1 ZINC000565959184 896010549 /nfs/dbraw/zinc/01/05/49/896010549.db2.gz KULRJKHZRMTVHE-DENIHFKCSA-N 2 1 387.568 3.745 20 0 GHADMP Cc1cc(N2CC[NH+]([C@H]3CCc4ccc(Br)cc4C3)CC2)cc[nH+]1 ZINC001170889786 896057089 /nfs/dbraw/zinc/05/70/89/896057089.db2.gz PPAWLQLMIHZKNZ-IBGZPJMESA-N 2 1 386.337 3.832 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)c1 ZINC000796265952 914034033 /nfs/dbraw/zinc/03/40/33/914034033.db2.gz NQTNWTPVUBGQQB-UHFFFAOYSA-N 2 1 393.318 3.871 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000566463518 896326919 /nfs/dbraw/zinc/32/69/19/896326919.db2.gz GAEIQFXQIXHIQR-HXTDOEILSA-N 2 1 375.601 3.514 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)c3cccc4ccccc43)c2)CCO1 ZINC000818976200 896335024 /nfs/dbraw/zinc/33/50/24/896335024.db2.gz WYBZESDLTMQRFZ-CLOONOSVSA-N 2 1 390.527 3.884 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)c3cccc4ccccc43)c2)CCO1 ZINC000818976200 896335036 /nfs/dbraw/zinc/33/50/36/896335036.db2.gz WYBZESDLTMQRFZ-CLOONOSVSA-N 2 1 390.527 3.884 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000819077616 896390822 /nfs/dbraw/zinc/39/08/22/896390822.db2.gz BXXFBKFPQHQENG-IBGZPJMESA-N 2 1 394.563 3.896 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCc3ccncc3C)CC2)c1C ZINC000566676220 896482093 /nfs/dbraw/zinc/48/20/93/896482093.db2.gz UUVYAFSHZFYCEX-UHFFFAOYSA-N 2 1 382.552 3.549 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCc3ccncc3C)CC2)c1C ZINC000566676220 896482106 /nfs/dbraw/zinc/48/21/06/896482106.db2.gz UUVYAFSHZFYCEX-UHFFFAOYSA-N 2 1 382.552 3.549 20 0 GHADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000819327555 896572406 /nfs/dbraw/zinc/57/24/06/896572406.db2.gz FRJFVCPDKXQIRQ-WVUPVLJSSA-N 2 1 380.532 3.602 20 0 GHADMP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001136218669 896633928 /nfs/dbraw/zinc/63/39/28/896633928.db2.gz ZHVVAALLTJVFIV-PMACEKPBSA-N 2 1 377.960 3.858 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001136218669 896633932 /nfs/dbraw/zinc/63/39/32/896633932.db2.gz ZHVVAALLTJVFIV-PMACEKPBSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000567046674 896829931 /nfs/dbraw/zinc/82/99/31/896829931.db2.gz NRFCOGGPAIELEY-PCPGWFQFSA-N 2 1 395.950 3.614 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@H]1c1cccs1 ZINC000567121087 896891082 /nfs/dbraw/zinc/89/10/82/896891082.db2.gz YMFIWSVJNVVFAP-NEWSRXKRSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000567121087 896891092 /nfs/dbraw/zinc/89/10/92/896891092.db2.gz YMFIWSVJNVVFAP-NEWSRXKRSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000567121087 896891109 /nfs/dbraw/zinc/89/11/09/896891109.db2.gz YMFIWSVJNVVFAP-NEWSRXKRSA-N 2 1 392.613 3.551 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567390120 897109968 /nfs/dbraw/zinc/10/99/68/897109968.db2.gz DKUOGSLMQFRPIG-DTQAZKPQSA-N 2 1 397.485 3.641 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1)CC[NH2+]CC2 ZINC000567491543 897199691 /nfs/dbraw/zinc/19/96/91/897199691.db2.gz SWAMRPDTDNIGMW-SFHVURJKSA-N 2 1 379.504 3.881 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001136319110 897239480 /nfs/dbraw/zinc/23/94/80/897239480.db2.gz CJHIJZUKTLAVSH-GOTSBHOMSA-N 2 1 397.538 3.908 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C(F)(F)F)c1 ZINC000567592595 897278559 /nfs/dbraw/zinc/27/85/59/897278559.db2.gz XJVFLMYEDBCQNW-KSSFIOAISA-N 2 1 396.457 3.645 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(OC(F)F)c3)CC2)CC1 ZINC000567625229 897300947 /nfs/dbraw/zinc/30/09/47/897300947.db2.gz JDNPTCBXJMFXHR-UHFFFAOYSA-N 2 1 395.494 3.731 20 0 GHADMP CCCOc1c(Cl)cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000567794568 897401571 /nfs/dbraw/zinc/40/15/71/897401571.db2.gz ATGQVISCSDGYBY-UHFFFAOYSA-N 2 1 397.991 3.595 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820810418 897540149 /nfs/dbraw/zinc/54/01/49/897540149.db2.gz WOZNOVKPLBNEBC-NRFANRHFSA-N 2 1 375.944 3.834 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001170967753 897934155 /nfs/dbraw/zinc/93/41/55/897934155.db2.gz ANTXFYNTXFSXIN-OAQYLSRUSA-N 2 1 382.523 3.988 20 0 GHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568644399 898003614 /nfs/dbraw/zinc/00/36/14/898003614.db2.gz HYIMLEAGUOQTNQ-NRFANRHFSA-N 2 1 395.572 3.696 20 0 GHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568644399 898003626 /nfs/dbraw/zinc/00/36/26/898003626.db2.gz HYIMLEAGUOQTNQ-NRFANRHFSA-N 2 1 395.572 3.696 20 0 GHADMP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000569201583 898421537 /nfs/dbraw/zinc/42/15/37/898421537.db2.gz VOQVVHJVFSVOLT-IEBWSBKVSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000569201583 898421543 /nfs/dbraw/zinc/42/15/43/898421543.db2.gz VOQVVHJVFSVOLT-IEBWSBKVSA-N 2 1 377.492 3.675 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)C[C@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000822516620 898449023 /nfs/dbraw/zinc/44/90/23/898449023.db2.gz OBQOAZKDTKOSGY-DEOSSOPVSA-N 2 1 381.564 3.557 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)C1 ZINC001136640099 898701780 /nfs/dbraw/zinc/70/17/80/898701780.db2.gz LGTGESDXVGFUDO-KRWDZBQOSA-N 2 1 383.540 3.608 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)C1 ZINC001136640099 898701791 /nfs/dbraw/zinc/70/17/91/898701791.db2.gz LGTGESDXVGFUDO-KRWDZBQOSA-N 2 1 383.540 3.608 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136643851 898706327 /nfs/dbraw/zinc/70/63/27/898706327.db2.gz YXXFDSBAMURMNH-FQEVSTJZSA-N 2 1 390.531 3.585 20 0 GHADMP O=C(CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000569770223 898939274 /nfs/dbraw/zinc/93/92/74/898939274.db2.gz IUPJATZWVNQVKK-DHIUTWEWSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000569770223 898939279 /nfs/dbraw/zinc/93/92/79/898939279.db2.gz IUPJATZWVNQVKK-DHIUTWEWSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000569770223 898939287 /nfs/dbraw/zinc/93/92/87/898939287.db2.gz IUPJATZWVNQVKK-DHIUTWEWSA-N 2 1 383.580 3.527 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)CC1 ZINC000569986055 899055593 /nfs/dbraw/zinc/05/55/93/899055593.db2.gz NKNPQFVAPWMRPP-UHFFFAOYSA-N 2 1 398.595 3.812 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000823737182 899210414 /nfs/dbraw/zinc/21/04/14/899210414.db2.gz UBXLCFJEWJUJBI-OALUTQOASA-N 2 1 385.552 3.553 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000570429138 899315310 /nfs/dbraw/zinc/31/53/10/899315310.db2.gz FFNACBBFSCFQOJ-UHFFFAOYSA-N 2 1 391.515 3.987 20 0 GHADMP Clc1cccc2c1CC[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001171043411 899369259 /nfs/dbraw/zinc/36/92/59/899369259.db2.gz DYHXHNHCSPKMGN-IBGZPJMESA-N 2 1 398.982 3.938 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CC1 ZINC000824073289 899381319 /nfs/dbraw/zinc/38/13/19/899381319.db2.gz HRICOOVYYPWBCF-SFTDATJTSA-N 2 1 385.552 3.979 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289787205 914347091 /nfs/dbraw/zinc/34/70/91/914347091.db2.gz RQYQDDJVHQAVDW-YJMBLLCNSA-N 2 1 382.552 3.623 20 0 GHADMP Cc1c(Cl)cccc1N1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000570648418 899470192 /nfs/dbraw/zinc/47/01/92/899470192.db2.gz JUZXKGMDUDHVDX-UHFFFAOYSA-N 2 1 393.019 3.577 20 0 GHADMP C[C@H]1C[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000824332821 899533695 /nfs/dbraw/zinc/53/36/95/899533695.db2.gz RKHJUKKZSIVMNG-OALUTQOASA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000824332456 899533907 /nfs/dbraw/zinc/53/39/07/899533907.db2.gz MALPMMMCPJKZNP-ZTCOLXNVSA-N 2 1 399.579 3.745 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000570787057 899590638 /nfs/dbraw/zinc/59/06/38/899590638.db2.gz BVRITDGTZGQOSY-UNWVZKJWSA-N 2 1 379.548 3.947 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000570787057 899590646 /nfs/dbraw/zinc/59/06/46/899590646.db2.gz BVRITDGTZGQOSY-UNWVZKJWSA-N 2 1 379.548 3.947 20 0 GHADMP Cc1ccn2c(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cnc2c1 ZINC001136888180 899677676 /nfs/dbraw/zinc/67/76/76/899677676.db2.gz UZCUTTXYIXFAGC-UHFFFAOYSA-N 2 1 389.547 3.914 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646297053 914387485 /nfs/dbraw/zinc/38/74/85/914387485.db2.gz GCANFTDXJQRWTN-QPJICYPMSA-N 2 1 393.522 3.631 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646297053 914387501 /nfs/dbraw/zinc/38/75/01/914387501.db2.gz GCANFTDXJQRWTN-QPJICYPMSA-N 2 1 393.522 3.631 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824949570 899902168 /nfs/dbraw/zinc/90/21/68/899902168.db2.gz YCFXHFQTXNAGFK-ROUUACIJSA-N 2 1 390.535 3.949 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1)CC(C)C ZINC000571925829 900010208 /nfs/dbraw/zinc/01/02/08/900010208.db2.gz PEODCANSDJXRGB-UHFFFAOYSA-N 2 1 394.629 3.560 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000571960082 900021201 /nfs/dbraw/zinc/02/12/01/900021201.db2.gz GRXATNATGNSICM-UHFFFAOYSA-N 2 1 387.518 3.666 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001137208882 900029156 /nfs/dbraw/zinc/02/91/56/900029156.db2.gz OZAFGDVKHLIZRH-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001137208882 900029162 /nfs/dbraw/zinc/02/91/62/900029162.db2.gz OZAFGDVKHLIZRH-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC001137208882 900029168 /nfs/dbraw/zinc/02/91/68/900029168.db2.gz OZAFGDVKHLIZRH-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC001137208882 900029175 /nfs/dbraw/zinc/02/91/75/900029175.db2.gz OZAFGDVKHLIZRH-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001137212760 900207624 /nfs/dbraw/zinc/20/76/24/900207624.db2.gz CHRWOPKQJQZMOF-URXFXBBRSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001137212760 900207633 /nfs/dbraw/zinc/20/76/33/900207633.db2.gz CHRWOPKQJQZMOF-URXFXBBRSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001137212760 900207643 /nfs/dbraw/zinc/20/76/43/900207643.db2.gz CHRWOPKQJQZMOF-URXFXBBRSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001137212760 900207652 /nfs/dbraw/zinc/20/76/52/900207652.db2.gz CHRWOPKQJQZMOF-URXFXBBRSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312504 900462740 /nfs/dbraw/zinc/46/27/40/900462740.db2.gz HGVWMTCHOQHXDY-FPOVZHCZSA-N 2 1 399.604 3.857 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000573464540 900520765 /nfs/dbraw/zinc/52/07/65/900520765.db2.gz ZYPWIVCSWXKECB-GOSISDBHSA-N 2 1 391.987 3.933 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000573707174 900599129 /nfs/dbraw/zinc/59/91/29/900599129.db2.gz FKCQIUQEDVFDTR-ZDUSSCGKSA-N 2 1 377.273 3.870 20 0 GHADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000573847099 900662430 /nfs/dbraw/zinc/66/24/30/900662430.db2.gz AMIKRQULXYFBTO-HSZRJFAPSA-N 2 1 381.564 3.595 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328598 900701183 /nfs/dbraw/zinc/70/11/83/900701183.db2.gz KZLZMMNGJUGOAB-QRWLVFNGSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328598 900701190 /nfs/dbraw/zinc/70/11/90/900701190.db2.gz KZLZMMNGJUGOAB-QRWLVFNGSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328598 900701194 /nfs/dbraw/zinc/70/11/94/900701194.db2.gz KZLZMMNGJUGOAB-QRWLVFNGSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328598 900701203 /nfs/dbraw/zinc/70/12/03/900701203.db2.gz KZLZMMNGJUGOAB-QRWLVFNGSA-N 2 1 380.504 3.822 20 0 GHADMP CCOC(=O)C1CCN(c2ccccc2CN2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001144103008 901070200 /nfs/dbraw/zinc/07/02/00/901070200.db2.gz RVDDSJFKHZXXAC-UHFFFAOYSA-N 2 1 399.579 3.525 20 0 GHADMP O=C(NCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cccs1 ZINC000886547362 901146524 /nfs/dbraw/zinc/14/65/24/901146524.db2.gz KIEHDJAKBJLMCV-UFYCRDLUSA-N 2 1 383.561 3.511 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000886926370 901330903 /nfs/dbraw/zinc/33/09/03/901330903.db2.gz KPMMUXKKQOZYKG-QGZVFWFLSA-N 2 1 394.510 3.817 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000123036447 901887200 /nfs/dbraw/zinc/88/72/00/901887200.db2.gz XBORUXGTXZUIRF-MRXNPFEDSA-N 2 1 390.524 3.676 20 0 GHADMP C[C@@H]1[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000576667044 902172997 /nfs/dbraw/zinc/17/29/97/902172997.db2.gz ARKXCSADPAKYHB-WIYYLYMNSA-N 2 1 380.536 3.575 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000125729801 902243373 /nfs/dbraw/zinc/24/33/73/902243373.db2.gz PDOFWRIJGQURAD-KRWDZBQOSA-N 2 1 377.960 3.655 20 0 GHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)NCc1ccccc1 ZINC000576998622 902420122 /nfs/dbraw/zinc/42/01/22/902420122.db2.gz LCFKHWPXXMLEHG-YUVSOPLDSA-N 2 1 379.548 3.724 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nn(C)c4ccccc34)CC2)cs1 ZINC000600809547 902945476 /nfs/dbraw/zinc/94/54/76/902945476.db2.gz IWKCPNHLXDHTQU-UHFFFAOYSA-N 2 1 383.565 3.594 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000577637921 902985263 /nfs/dbraw/zinc/98/52/63/902985263.db2.gz JQOMIILHPLOQBN-XUWXXGDYSA-N 2 1 378.467 3.711 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCC[C@H](C)C1 ZINC000600888936 903054242 /nfs/dbraw/zinc/05/42/42/903054242.db2.gz NWMKEKJRBINXBO-FESBUIRDSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000600888936 903054254 /nfs/dbraw/zinc/05/42/54/903054254.db2.gz NWMKEKJRBINXBO-FESBUIRDSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000600888936 903054262 /nfs/dbraw/zinc/05/42/62/903054262.db2.gz NWMKEKJRBINXBO-FESBUIRDSA-N 2 1 398.595 3.602 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C3(C2)CCOCC3)cc1 ZINC000578148468 903560137 /nfs/dbraw/zinc/56/01/37/903560137.db2.gz LIQVISAGMFHRHZ-DHIUTWEWSA-N 2 1 398.591 3.854 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C3(C2)CCOCC3)cc1 ZINC000578148471 903561552 /nfs/dbraw/zinc/56/15/52/903561552.db2.gz LIQVISAGMFHRHZ-XZOQPEGZSA-N 2 1 398.591 3.854 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC2 ZINC001171300884 903736454 /nfs/dbraw/zinc/73/64/54/903736454.db2.gz MXONMRVWQNNAFQ-HNNXBMFYSA-N 3 1 381.992 3.681 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(-n3c(CC[NH3+])cc4ccccc43)c2c1C ZINC001171302950 903784898 /nfs/dbraw/zinc/78/48/98/903784898.db2.gz XUKPYJRZGDRZBX-UHFFFAOYSA-N 2 1 379.533 3.815 20 0 GHADMP CC[NH+](CCOCC[N@H+](CC)[C@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000578700749 904062721 /nfs/dbraw/zinc/06/27/21/904062721.db2.gz FQVOYPJSTUNSDV-BGYRXZFFSA-N 2 1 384.605 3.562 20 0 GHADMP CC[NH+](CCOCC[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000578700749 904062727 /nfs/dbraw/zinc/06/27/27/904062727.db2.gz FQVOYPJSTUNSDV-BGYRXZFFSA-N 2 1 384.605 3.562 20 0 GHADMP CC[NH+](CCOCC[N@@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000578700749 904062738 /nfs/dbraw/zinc/06/27/38/904062738.db2.gz FQVOYPJSTUNSDV-BGYRXZFFSA-N 2 1 384.605 3.562 20 0 GHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000151355633 904112186 /nfs/dbraw/zinc/11/21/86/904112186.db2.gz YJJSPZIBLGHGRA-AWEZNQCLSA-N 2 1 376.488 3.838 20 0 GHADMP C[C@H](NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000578970362 904267425 /nfs/dbraw/zinc/26/74/25/904267425.db2.gz RPFRKEQJFOPYGV-HYVJGQCMSA-N 2 1 394.563 3.792 20 0 GHADMP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001171504946 904780490 /nfs/dbraw/zinc/78/04/90/904780490.db2.gz DLUZTNAZQSWRIE-SFHVURJKSA-N 2 1 390.449 3.583 20 0 GHADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001171670666 904909041 /nfs/dbraw/zinc/90/90/41/904909041.db2.gz GJPLZMBKPFSRPL-AGILITTLSA-N 2 1 397.607 3.723 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1(C)C ZINC001171636132 904923641 /nfs/dbraw/zinc/92/36/41/904923641.db2.gz BMYPTYONEXYPBW-WMZOPIPTSA-N 2 1 376.614 3.691 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCc3ccc4c(c3)CCO4)cc2)C[C@H](C)O1 ZINC001171637815 904925729 /nfs/dbraw/zinc/92/57/29/904925729.db2.gz ZKMMOWXETXRKQW-BGYRXZFFSA-N 2 1 394.559 3.905 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCc3ccc4c(c3)CCO4)cc2)C[C@H](C)O1 ZINC001171637815 904925740 /nfs/dbraw/zinc/92/57/40/904925740.db2.gz ZKMMOWXETXRKQW-BGYRXZFFSA-N 2 1 394.559 3.905 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCc3ccc4c(c3)CCO4)cc2)C[C@H](C)O1 ZINC001171637815 904925748 /nfs/dbraw/zinc/92/57/48/904925748.db2.gz ZKMMOWXETXRKQW-BGYRXZFFSA-N 2 1 394.559 3.905 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccc(Br)cc2)C[N@H+]1Cc1ccccc1 ZINC001171731621 904959640 /nfs/dbraw/zinc/95/96/40/904959640.db2.gz CHJDBDYNDSCZBC-YSGRDPCXSA-N 2 1 388.353 3.702 20 0 GHADMP COc1cccc(C[NH+]2CCC(N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171732779 904959984 /nfs/dbraw/zinc/95/99/84/904959984.db2.gz FHWBCOURDQULMU-GBXCKJPGSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(C[NH+]2CCC(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171732779 904959985 /nfs/dbraw/zinc/95/99/85/904959985.db2.gz FHWBCOURDQULMU-GBXCKJPGSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(CC2([NH3+])CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171740098 905026346 /nfs/dbraw/zinc/02/63/46/905026346.db2.gz SGFIIEYVPVHPEH-NFBKMPQASA-N 2 1 393.575 3.694 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)c1ccccc1 ZINC001171791443 905049623 /nfs/dbraw/zinc/04/96/23/905049623.db2.gz KSWGZRKTWIGGLV-GMAHTHKFSA-N 2 1 397.538 3.642 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F)c1ccccc1 ZINC001171791443 905049644 /nfs/dbraw/zinc/04/96/44/905049644.db2.gz KSWGZRKTWIGGLV-GMAHTHKFSA-N 2 1 397.538 3.642 20 0 GHADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001171815778 905074083 /nfs/dbraw/zinc/07/40/83/905074083.db2.gz VKPKOQNDRKJFCX-DEOSSOPVSA-N 2 1 385.596 3.592 20 0 GHADMP CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001171875113 905078909 /nfs/dbraw/zinc/07/89/09/905078909.db2.gz CBECIBIAOHEWLR-UKILVPOCSA-N 2 1 393.575 3.893 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 ZINC001171854614 905101052 /nfs/dbraw/zinc/10/10/52/905101052.db2.gz FWDWNIKLFZQFQZ-IBGZPJMESA-N 2 1 377.573 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969113 905215048 /nfs/dbraw/zinc/21/50/48/905215048.db2.gz TUYXVONFZAVOIN-UWHLTILDSA-N 2 1 399.579 3.885 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001171976432 905222582 /nfs/dbraw/zinc/22/25/82/905222582.db2.gz LCYWXAUFABPTOK-SFTDATJTSA-N 2 1 388.502 3.901 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC3CC2(C(=O)N2CCCC2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001171978917 905225357 /nfs/dbraw/zinc/22/53/57/905225357.db2.gz FTKHMYPGEZTZLN-ZPGVXSSASA-N 2 1 381.564 3.516 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC3CC2(C(=O)N2CCCC2)C3)CC[N@H+]1Cc1ccccc1 ZINC001171978917 905225369 /nfs/dbraw/zinc/22/53/69/905225369.db2.gz FTKHMYPGEZTZLN-ZPGVXSSASA-N 2 1 381.564 3.516 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)CC[NH+]1Cc1ccccc1 ZINC001171978917 905225383 /nfs/dbraw/zinc/22/53/83/905225383.db2.gz FTKHMYPGEZTZLN-ZPGVXSSASA-N 2 1 381.564 3.516 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CC3CC2(C(=O)N2CCCC2)C3)CC[NH+]1Cc1ccccc1 ZINC001171978917 905225396 /nfs/dbraw/zinc/22/53/96/905225396.db2.gz FTKHMYPGEZTZLN-ZPGVXSSASA-N 2 1 381.564 3.516 20 0 GHADMP CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979803 905227804 /nfs/dbraw/zinc/22/78/04/905227804.db2.gz QZTSKVICXCTTMZ-VXKWHMMOSA-N 2 1 387.612 3.766 20 0 GHADMP CC1(C)C[C@@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979315 905230098 /nfs/dbraw/zinc/23/00/98/905230098.db2.gz HNRFAGCYKJGAJH-QXUYBEEESA-N 2 1 395.591 3.666 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979315 905230116 /nfs/dbraw/zinc/23/01/16/905230116.db2.gz HNRFAGCYKJGAJH-QXUYBEEESA-N 2 1 395.591 3.666 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979315 905230135 /nfs/dbraw/zinc/23/01/35/905230135.db2.gz HNRFAGCYKJGAJH-QXUYBEEESA-N 2 1 395.591 3.666 20 0 GHADMP CC1(C)C[C@@H](N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171981077 905231144 /nfs/dbraw/zinc/23/11/44/905231144.db2.gz WCZSCNHBCRGXCH-FKBYEOEOSA-N 2 1 393.579 3.996 20 0 GHADMP COc1cccc(C[C@@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984610 905240459 /nfs/dbraw/zinc/24/04/59/905240459.db2.gz WKMGNUZKUGFLLG-VXKWHMMOSA-N 2 1 382.548 3.631 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172060904 905262064 /nfs/dbraw/zinc/26/20/64/905262064.db2.gz HYUYJILAHPWJSH-OTWHNJEPSA-N 2 1 377.573 3.582 20 0 GHADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172060904 905262076 /nfs/dbraw/zinc/26/20/76/905262076.db2.gz HYUYJILAHPWJSH-OTWHNJEPSA-N 2 1 377.573 3.582 20 0 GHADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172060904 905262088 /nfs/dbraw/zinc/26/20/88/905262088.db2.gz HYUYJILAHPWJSH-OTWHNJEPSA-N 2 1 377.573 3.582 20 0 GHADMP O=C([C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074178 905282663 /nfs/dbraw/zinc/28/26/63/905282663.db2.gz GBGVPTIKUQQREZ-LWSSLDFYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074178 905282679 /nfs/dbraw/zinc/28/26/79/905282679.db2.gz GBGVPTIKUQQREZ-LWSSLDFYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074178 905282696 /nfs/dbraw/zinc/28/26/96/905282696.db2.gz GBGVPTIKUQQREZ-LWSSLDFYSA-N 2 1 395.591 3.907 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C1CCCCC1 ZINC000174526378 905290009 /nfs/dbraw/zinc/29/00/09/905290009.db2.gz OVHGOPRAHQPZKS-OAQYLSRUSA-N 2 1 382.552 3.929 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@]1(F)CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100130 905323068 /nfs/dbraw/zinc/32/30/68/905323068.db2.gz PHJMIEYWCMHNKU-UGNRZPKXSA-N 2 1 383.552 3.721 20 0 GHADMP COc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172063283 905323677 /nfs/dbraw/zinc/32/36/77/905323677.db2.gz BPLIBSXPBYNSPH-PIATZUFCSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172063283 905323695 /nfs/dbraw/zinc/32/36/95/905323695.db2.gz BPLIBSXPBYNSPH-PIATZUFCSA-N 2 1 380.532 3.904 20 0 GHADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063349 905327205 /nfs/dbraw/zinc/32/72/05/905327205.db2.gz YONCUKOSRCWGBO-JBXUNAHCSA-N 2 1 394.559 3.739 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172064394 905328402 /nfs/dbraw/zinc/32/84/02/905328402.db2.gz FOFZZZHFLGBCEG-ZCNNSNEGSA-N 2 1 391.600 3.972 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172064394 905328421 /nfs/dbraw/zinc/32/84/21/905328421.db2.gz FOFZZZHFLGBCEG-ZCNNSNEGSA-N 2 1 391.600 3.972 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172064394 905328436 /nfs/dbraw/zinc/32/84/36/905328436.db2.gz FOFZZZHFLGBCEG-ZCNNSNEGSA-N 2 1 391.600 3.972 20 0 GHADMP CCC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065933 905332440 /nfs/dbraw/zinc/33/24/40/905332440.db2.gz BTWKELXLIHWHNJ-DTUBNOLGSA-N 2 1 383.580 3.999 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2CCN(Cc4ccccn4)C2)C3)cc1 ZINC001172068748 905337241 /nfs/dbraw/zinc/33/72/41/905337241.db2.gz XFWRQKFSXDUFPU-ZKGSSEMHSA-N 2 1 390.575 3.831 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132840 905344764 /nfs/dbraw/zinc/34/47/64/905344764.db2.gz ORGMJDYSZFNPMN-CBPXPLCBSA-N 2 1 399.579 3.953 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132840 905344781 /nfs/dbraw/zinc/34/47/81/905344781.db2.gz ORGMJDYSZFNPMN-CBPXPLCBSA-N 2 1 399.579 3.953 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132840 905344804 /nfs/dbraw/zinc/34/48/04/905344804.db2.gz ORGMJDYSZFNPMN-CBPXPLCBSA-N 2 1 399.579 3.953 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132840 905344824 /nfs/dbraw/zinc/34/48/24/905344824.db2.gz ORGMJDYSZFNPMN-CBPXPLCBSA-N 2 1 399.579 3.953 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172109133 905355351 /nfs/dbraw/zinc/35/53/51/905355351.db2.gz BKQHEPSDDTZOOK-IYWMVGAKSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172109133 905355375 /nfs/dbraw/zinc/35/53/75/905355375.db2.gz BKQHEPSDDTZOOK-IYWMVGAKSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC3CCOCC3)c(F)c1)C2 ZINC001172112378 905360045 /nfs/dbraw/zinc/36/00/45/905360045.db2.gz VXXYZOQERYYXNR-OWZKRDHZSA-N 2 1 376.516 3.736 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C2 ZINC001172112760 905361125 /nfs/dbraw/zinc/36/11/25/905361125.db2.gz ZYMXDSIVNDHTAJ-BURNTYAHSA-N 2 1 387.568 3.727 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001172117710 905372130 /nfs/dbraw/zinc/37/21/30/905372130.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001172117710 905372143 /nfs/dbraw/zinc/37/21/43/905372143.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001172117710 905372155 /nfs/dbraw/zinc/37/21/55/905372155.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001172117710 905372168 /nfs/dbraw/zinc/37/21/68/905372168.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001172117710 905372182 /nfs/dbraw/zinc/37/21/82/905372182.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001172117710 905372196 /nfs/dbraw/zinc/37/21/96/905372196.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001172117710 905372210 /nfs/dbraw/zinc/37/22/10/905372210.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 3 1 397.607 3.998 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119503 905378119 /nfs/dbraw/zinc/37/81/19/905378119.db2.gz VXPBTXVSDSDUCN-WEMPKCCASA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119503 905378137 /nfs/dbraw/zinc/37/81/37/905378137.db2.gz VXPBTXVSDSDUCN-WEMPKCCASA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119503 905378153 /nfs/dbraw/zinc/37/81/53/905378153.db2.gz VXPBTXVSDSDUCN-WEMPKCCASA-N 2 1 387.593 3.692 20 0 GHADMP CC(=O)N1CC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2cc(C)ccc21 ZINC001172119868 905379580 /nfs/dbraw/zinc/37/95/80/905379580.db2.gz BSZVBQSEKWZFHT-WKCHPHFGSA-N 2 1 381.564 3.710 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122033 905384445 /nfs/dbraw/zinc/38/44/45/905384445.db2.gz VRADTDKFPGAYGS-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122033 905384463 /nfs/dbraw/zinc/38/44/63/905384463.db2.gz VRADTDKFPGAYGS-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122033 905384480 /nfs/dbraw/zinc/38/44/80/905384480.db2.gz VRADTDKFPGAYGS-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC001172257912 905450623 /nfs/dbraw/zinc/45/06/23/905450623.db2.gz SDIWOSJAEQZXOX-HXUWFJFHSA-N 2 1 395.385 3.957 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC001172257912 905450631 /nfs/dbraw/zinc/45/06/31/905450631.db2.gz SDIWOSJAEQZXOX-HXUWFJFHSA-N 2 1 395.385 3.957 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175457759 905569646 /nfs/dbraw/zinc/56/96/46/905569646.db2.gz OPRUOGQTDUMTOJ-KNQAVFIVSA-N 2 1 397.567 3.666 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175457759 905569668 /nfs/dbraw/zinc/56/96/68/905569668.db2.gz OPRUOGQTDUMTOJ-KNQAVFIVSA-N 2 1 397.567 3.666 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172523194 905583114 /nfs/dbraw/zinc/58/31/14/905583114.db2.gz OTZBFSVNJVYKEL-WBCRQVGVSA-N 2 1 395.591 3.922 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172523194 905583121 /nfs/dbraw/zinc/58/31/21/905583121.db2.gz OTZBFSVNJVYKEL-WBCRQVGVSA-N 2 1 395.591 3.922 20 0 GHADMP CC1(C)CC([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CC(C)(C)O1 ZINC001172658040 905722893 /nfs/dbraw/zinc/72/28/93/905722893.db2.gz ZOHRTPYMHBAMAT-UHFFFAOYSA-N 2 1 376.541 3.683 20 0 GHADMP CC1(C)CC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CC(C)(C)O1 ZINC001172658040 905722899 /nfs/dbraw/zinc/72/28/99/905722899.db2.gz ZOHRTPYMHBAMAT-UHFFFAOYSA-N 2 1 376.541 3.683 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)CC[C@@H]1F ZINC001206172981 905751412 /nfs/dbraw/zinc/75/14/12/905751412.db2.gz DQRRJXVYDLCHIJ-HOTGVXAUSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)CC[C@@H]1F ZINC001206172981 905751417 /nfs/dbraw/zinc/75/14/17/905751417.db2.gz DQRRJXVYDLCHIJ-HOTGVXAUSA-N 2 1 378.289 3.772 20 0 GHADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2cc(C(C)(C)C[NH3+])c3ccccc32)CC1 ZINC001172887082 905973705 /nfs/dbraw/zinc/97/37/05/905973705.db2.gz KGGCQYCYGSBSEV-UHFFFAOYSA-N 2 1 385.552 3.856 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172942687 906009559 /nfs/dbraw/zinc/00/95/59/906009559.db2.gz AXYBAZWLJYHMQS-AZUAARDMSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172960559 906068172 /nfs/dbraw/zinc/06/81/72/906068172.db2.gz MWGHWICRDLDMGA-IBGZPJMESA-N 2 1 389.584 3.929 20 0 GHADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001173109541 906194850 /nfs/dbraw/zinc/19/48/50/906194850.db2.gz CPKHJYQHDQHWBR-UPSGKMMVSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001173109541 906194856 /nfs/dbraw/zinc/19/48/56/906194856.db2.gz CPKHJYQHDQHWBR-UPSGKMMVSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001173109541 906194866 /nfs/dbraw/zinc/19/48/66/906194866.db2.gz CPKHJYQHDQHWBR-UPSGKMMVSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001173110768 906198698 /nfs/dbraw/zinc/19/86/98/906198698.db2.gz XBILCIRUWTVYJS-OAHAVBBTSA-N 2 1 379.589 3.971 20 0 GHADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3C[C@H](Oc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001173112206 906201600 /nfs/dbraw/zinc/20/16/00/906201600.db2.gz SRDNXRSPJWREPX-WNACPCLMSA-N 2 1 385.596 3.785 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+](CC)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001173113848 906202611 /nfs/dbraw/zinc/20/26/11/906202611.db2.gz MWZIOUBHCRZYRV-KXTRFFEISA-N 2 1 387.612 3.862 20 0 GHADMP COc1cccc2c1C[C@@H]([NH+]1CCC([NH3+])(Cc3ccccc3Cl)CC1)CO2 ZINC001173149557 906235834 /nfs/dbraw/zinc/23/58/34/906235834.db2.gz FIPYSLIFUHLVSM-QGZVFWFLSA-N 2 1 386.923 3.688 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CCC([NH3+])(Cc3ccc(Cl)cc3)CC1)CO2 ZINC001173158695 906244165 /nfs/dbraw/zinc/24/41/65/906244165.db2.gz HWWNIMZILQAXFP-SFHVURJKSA-N 2 1 386.923 3.688 20 0 GHADMP CCCCSCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365910934 921244506 /nfs/dbraw/zinc/24/45/06/921244506.db2.gz BJSAOJJVNNISPO-UHFFFAOYSA-N 2 1 383.646 3.565 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173618948 906565494 /nfs/dbraw/zinc/56/54/94/906565494.db2.gz UVTXOGUDXIMMGG-RIZRQHADSA-N 2 1 382.548 3.562 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173618948 906565517 /nfs/dbraw/zinc/56/55/17/906565517.db2.gz UVTXOGUDXIMMGG-RIZRQHADSA-N 2 1 382.548 3.562 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173618948 906565534 /nfs/dbraw/zinc/56/55/34/906565534.db2.gz UVTXOGUDXIMMGG-RIZRQHADSA-N 2 1 382.548 3.562 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C1CCN(CC(F)(F)F)CC1)CC2 ZINC001173670567 906606913 /nfs/dbraw/zinc/60/69/13/906606913.db2.gz XRKLLMPFWSUNLI-IBGZPJMESA-N 2 1 399.501 3.983 20 0 GHADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180856182 906861274 /nfs/dbraw/zinc/86/12/74/906861274.db2.gz WZHKSDZUNWKQTA-CTNGQTDRSA-N 2 1 398.595 3.603 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1C(F)(F)F ZINC000629564199 906870303 /nfs/dbraw/zinc/87/03/03/906870303.db2.gz RZPDRXFIDZJYEW-IEBWSBKVSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1C(F)(F)F ZINC000629564199 906870318 /nfs/dbraw/zinc/87/03/18/906870318.db2.gz RZPDRXFIDZJYEW-IEBWSBKVSA-N 2 1 379.426 3.620 20 0 GHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)nc2)c1 ZINC000629702274 906968858 /nfs/dbraw/zinc/96/88/58/906968858.db2.gz LCHSRESXKHDVEK-UTKZUKDTSA-N 2 1 378.520 3.671 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000779420885 906970487 /nfs/dbraw/zinc/97/04/87/906970487.db2.gz FRCGXZTZCVBPKH-NBYUQASBSA-N 2 1 394.506 3.854 20 0 GHADMP Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000629705694 906973314 /nfs/dbraw/zinc/97/33/14/906973314.db2.gz NRNSBXBXLAOYBT-DEOSSOPVSA-N 2 1 379.548 3.713 20 0 GHADMP COc1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)ccc1N1CC[NH+](C)CC1 ZINC001174393964 906998952 /nfs/dbraw/zinc/99/89/52/906998952.db2.gz BKPZMXVOOLYGHL-UHFFFAOYSA-N 2 1 392.547 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000181809246 907085214 /nfs/dbraw/zinc/08/52/14/907085214.db2.gz ZGTYZOGNCUMJAC-GHTZIAJQSA-N 2 1 388.515 3.880 20 0 GHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000181996607 907111025 /nfs/dbraw/zinc/11/10/25/907111025.db2.gz YWRAWTBHVZUWKJ-MSOLQXFVSA-N 2 1 381.520 3.717 20 0 GHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000181996607 907111035 /nfs/dbraw/zinc/11/10/35/907111035.db2.gz YWRAWTBHVZUWKJ-MSOLQXFVSA-N 2 1 381.520 3.717 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183188048 907348374 /nfs/dbraw/zinc/34/83/74/907348374.db2.gz ULDMNCFXMVEQGR-YQQAZPJKSA-N 2 1 382.545 3.533 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183188048 907348377 /nfs/dbraw/zinc/34/83/77/907348377.db2.gz ULDMNCFXMVEQGR-YQQAZPJKSA-N 2 1 382.545 3.533 20 0 GHADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC001175121408 907389681 /nfs/dbraw/zinc/38/96/81/907389681.db2.gz SVHAOVIONDXEAT-UHFFFAOYSA-N 2 1 394.357 3.728 20 0 GHADMP Cc1cncc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000184340769 907565283 /nfs/dbraw/zinc/56/52/83/907565283.db2.gz QJYVMYKZBYMQPQ-LJQANCHMSA-N 2 1 383.536 3.730 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC001175690307 907695590 /nfs/dbraw/zinc/69/55/90/907695590.db2.gz XEVITOGHIMAAMS-UHFFFAOYSA-N 2 1 397.357 3.934 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC001175690307 907695598 /nfs/dbraw/zinc/69/55/98/907695598.db2.gz XEVITOGHIMAAMS-UHFFFAOYSA-N 2 1 397.357 3.934 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185759119 907831193 /nfs/dbraw/zinc/83/11/93/907831193.db2.gz YWBYZYXYUDJKTG-PMPSAXMXSA-N 2 1 395.494 3.858 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185759119 907831209 /nfs/dbraw/zinc/83/12/09/907831209.db2.gz YWBYZYXYUDJKTG-PMPSAXMXSA-N 2 1 395.494 3.858 20 0 GHADMP C[NH+](C)CCn1cc(Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)cn1 ZINC001176450616 908115166 /nfs/dbraw/zinc/11/51/66/908115166.db2.gz MEQMXKQAIFGNKN-NRFANRHFSA-N 2 1 375.520 3.766 20 0 GHADMP C[C@@H]1CCC[C@](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC001177441904 908591269 /nfs/dbraw/zinc/59/12/69/908591269.db2.gz LRQAMFOQYYEBJN-CLCXKQKWSA-N 2 1 377.520 3.635 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177621939 908674941 /nfs/dbraw/zinc/67/49/41/908674941.db2.gz JAABPJIHKMOOPG-JOCHJYFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177621939 908674948 /nfs/dbraw/zinc/67/49/48/908674948.db2.gz JAABPJIHKMOOPG-JOCHJYFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3OCC3CC3)c2)CCO1 ZINC000067976518 908746568 /nfs/dbraw/zinc/74/65/68/908746568.db2.gz IJHDIVULABBWKL-LJQANCHMSA-N 2 1 380.532 3.986 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3OCC3CC3)c2)CCO1 ZINC000067976518 908746579 /nfs/dbraw/zinc/74/65/79/908746579.db2.gz IJHDIVULABBWKL-LJQANCHMSA-N 2 1 380.532 3.986 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001177910441 908796446 /nfs/dbraw/zinc/79/64/46/908796446.db2.gz APNYVPJKTGFZKT-JWQCQUIFSA-N 2 1 387.527 3.721 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001177910441 908796460 /nfs/dbraw/zinc/79/64/60/908796460.db2.gz APNYVPJKTGFZKT-JWQCQUIFSA-N 2 1 387.527 3.721 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135411 908971446 /nfs/dbraw/zinc/97/14/46/908971446.db2.gz BHHAMJFUFNEHQU-TZIWHRDSSA-N 2 1 377.532 3.986 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001179338809 909497811 /nfs/dbraw/zinc/49/78/11/909497811.db2.gz OJDHWKVHRCRQEK-UYAOXDASSA-N 2 1 378.495 3.869 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001179338809 909497817 /nfs/dbraw/zinc/49/78/17/909497817.db2.gz OJDHWKVHRCRQEK-UYAOXDASSA-N 2 1 378.495 3.869 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1OC(F)F ZINC001179817294 909748780 /nfs/dbraw/zinc/74/87/80/909748780.db2.gz QAABPBJRTPCIMD-TUKIKUTGSA-N 2 1 389.284 3.789 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1OC(F)F ZINC001179817294 909748791 /nfs/dbraw/zinc/74/87/91/909748791.db2.gz QAABPBJRTPCIMD-TUKIKUTGSA-N 2 1 389.284 3.789 20 0 GHADMP CC(C)(C)[C@]1(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001179980530 909849115 /nfs/dbraw/zinc/84/91/15/909849115.db2.gz RHSZZBRALIYVJL-WPFOTENUSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001179980530 909849126 /nfs/dbraw/zinc/84/91/26/909849126.db2.gz RHSZZBRALIYVJL-WPFOTENUSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001179980530 909849133 /nfs/dbraw/zinc/84/91/33/909849133.db2.gz RHSZZBRALIYVJL-WPFOTENUSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001179980530 909849146 /nfs/dbraw/zinc/84/91/46/909849146.db2.gz RHSZZBRALIYVJL-WPFOTENUSA-N 2 1 386.580 3.805 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@H]2c2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000637887545 909995518 /nfs/dbraw/zinc/99/55/18/909995518.db2.gz WBAIDENGILXXGS-IBGZPJMESA-N 2 1 383.561 3.795 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCc3nnc4n3CCCCC4)CC[N@@H+]2C2CC2)cc1 ZINC000638341962 910126204 /nfs/dbraw/zinc/12/62/04/910126204.db2.gz FHJAFXBYPQVTCR-FPOVZHCZSA-N 2 1 379.552 3.505 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCc3nnc4n3CCCCC4)CC[N@H+]2C2CC2)cc1 ZINC000638341962 910126218 /nfs/dbraw/zinc/12/62/18/910126218.db2.gz FHJAFXBYPQVTCR-FPOVZHCZSA-N 2 1 379.552 3.505 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638352482 910129605 /nfs/dbraw/zinc/12/96/05/910129605.db2.gz NRMBUNUTXSEKOP-FYYLOGMGSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638352482 910129611 /nfs/dbraw/zinc/12/96/11/910129611.db2.gz NRMBUNUTXSEKOP-FYYLOGMGSA-N 2 1 393.531 3.842 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638364794 910133510 /nfs/dbraw/zinc/13/35/10/910133510.db2.gz QFMFWVQWGCAZMN-RBBKRZOGSA-N 2 1 383.580 3.981 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638364794 910133518 /nfs/dbraw/zinc/13/35/18/910133518.db2.gz QFMFWVQWGCAZMN-RBBKRZOGSA-N 2 1 383.580 3.981 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000269250053 910195070 /nfs/dbraw/zinc/19/50/70/910195070.db2.gz OOPAEBCDLWQXFV-UXHICEINSA-N 2 1 396.579 3.717 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC2(CC[N@@H+](C)C2)CC1)c1ccc(Cl)cc1 ZINC001274472401 910276208 /nfs/dbraw/zinc/27/62/08/910276208.db2.gz VQKJOFNOIVVQOC-IBGZPJMESA-N 2 1 377.960 3.667 20 0 GHADMP CCn1cccc(C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC001181322263 910709681 /nfs/dbraw/zinc/70/96/81/910709681.db2.gz CZSOAZPFUKFRCY-XMMPIXPASA-N 2 1 381.564 3.896 20 0 GHADMP C[C@@H](CC[NH+]1CCC(C)([NH+]2CCCC2)CC1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982105 910765838 /nfs/dbraw/zinc/76/58/38/910765838.db2.gz FXPWVXIVDJBYBE-QFIPXVFZSA-N 3 1 390.660 3.666 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(F)c(Cl)c1Cl ZINC001181484854 910814350 /nfs/dbraw/zinc/81/43/50/910814350.db2.gz FGSLDTBLAGATLB-HNNXBMFYSA-N 2 1 376.347 3.980 20 0 GHADMP Cc1nn2c(C[NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)c(C)nc2s1 ZINC000271211060 910819389 /nfs/dbraw/zinc/81/93/89/910819389.db2.gz KVLSOPMLOTUIOR-UHFFFAOYSA-N 2 1 395.532 3.922 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000271502210 910932098 /nfs/dbraw/zinc/93/20/98/910932098.db2.gz MEVCIYBFKCOFNH-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)N(c1cc(OC)cc2cccnc21)[C@H](C)CCC[NH3+] ZINC001181997295 911116962 /nfs/dbraw/zinc/11/69/62/911116962.db2.gz PQCVBTSRKYVYQS-XLIONFOSSA-N 2 1 398.551 3.578 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC001182002409 911120550 /nfs/dbraw/zinc/12/05/50/911120550.db2.gz YXOSUDQSPQWFAE-IBGZPJMESA-N 2 1 397.485 3.660 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182248289 911340749 /nfs/dbraw/zinc/34/07/49/911340749.db2.gz ZVAHVUBNJXTEBR-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182248289 911340770 /nfs/dbraw/zinc/34/07/70/911340770.db2.gz ZVAHVUBNJXTEBR-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001182248289 911340791 /nfs/dbraw/zinc/34/07/91/911340791.db2.gz ZVAHVUBNJXTEBR-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001182248289 911340811 /nfs/dbraw/zinc/34/08/11/911340811.db2.gz ZVAHVUBNJXTEBR-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@H](n3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182471468 911790153 /nfs/dbraw/zinc/79/01/53/911790153.db2.gz XZZLKOLNAYVUKO-JTHBVZDNSA-N 2 1 381.568 3.853 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248400926 912056222 /nfs/dbraw/zinc/05/62/22/912056222.db2.gz RCBDFFHGGGCJIE-GSEOLPGOSA-N 2 1 390.572 3.985 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC2)[nH+]c1 ZINC000647019219 914988054 /nfs/dbraw/zinc/98/80/54/914988054.db2.gz HXMBLGVNGGEPGZ-UHFFFAOYSA-N 2 1 392.425 3.723 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291182123 915024716 /nfs/dbraw/zinc/02/47/16/915024716.db2.gz KSFPLQXJAXGUES-MRXNPFEDSA-N 2 1 376.545 3.627 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192371 915079518 /nfs/dbraw/zinc/07/95/18/915079518.db2.gz CADQRUVMRNQVKE-PKTZIBPZSA-N 2 1 395.591 3.954 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192371 915079538 /nfs/dbraw/zinc/07/95/38/915079538.db2.gz CADQRUVMRNQVKE-PKTZIBPZSA-N 2 1 395.591 3.954 20 0 GHADMP Cn1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000647543133 915319024 /nfs/dbraw/zinc/31/90/24/915319024.db2.gz HXCPJAVIQYWMDX-CABCVRRESA-N 2 1 380.458 3.804 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000648885753 915923440 /nfs/dbraw/zinc/92/34/40/915923440.db2.gz PHMZZCCIKSBTFI-GOSISDBHSA-N 2 1 397.567 3.813 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)F)ccc1F ZINC000650387740 916941616 /nfs/dbraw/zinc/94/16/16/916941616.db2.gz ZIXKGYHRWUABRB-HNNXBMFYSA-N 2 1 386.462 3.643 20 0 GHADMP CCCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000650414241 916958519 /nfs/dbraw/zinc/95/85/19/916958519.db2.gz SCTZIIWIKCTAGI-LJQANCHMSA-N 2 1 390.597 3.823 20 0 GHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416982 916968395 /nfs/dbraw/zinc/96/83/95/916968395.db2.gz IIDKIJILUIINFY-GOSISDBHSA-N 2 1 390.597 3.680 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Oc1cccnc1 ZINC000650706427 917243859 /nfs/dbraw/zinc/24/38/59/917243859.db2.gz KIOGEUDWLKMIBU-SXWKCWPCSA-N 2 1 381.520 3.901 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707032 917244243 /nfs/dbraw/zinc/24/42/43/917244243.db2.gz XGUTVPQQGCQMCP-FIXSFTCYSA-N 2 1 396.579 3.575 20 0 GHADMP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)c(F)c1 ZINC000650717964 917247271 /nfs/dbraw/zinc/24/72/71/917247271.db2.gz SIPAUTUTAJELFG-UHFFFAOYSA-N 2 1 389.215 3.938 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651678063 917691788 /nfs/dbraw/zinc/69/17/88/917691788.db2.gz ACXJCZMKBQMRSZ-LJQANCHMSA-N 2 1 375.520 3.789 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651678063 917691797 /nfs/dbraw/zinc/69/17/97/917691797.db2.gz ACXJCZMKBQMRSZ-LJQANCHMSA-N 2 1 375.520 3.789 20 0 GHADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191233732 917868708 /nfs/dbraw/zinc/86/87/08/917868708.db2.gz PRCFYGGNZJNPOA-SQGPQFPESA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191233732 917868721 /nfs/dbraw/zinc/86/87/21/917868721.db2.gz PRCFYGGNZJNPOA-SQGPQFPESA-N 2 1 377.960 3.714 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc3ccccc32)C1 ZINC000652361551 917882509 /nfs/dbraw/zinc/88/25/09/917882509.db2.gz JWPZUJRCMXTFOU-COPCDDAFSA-N 2 1 381.520 3.529 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(SCC[NH+]3CCCC3)cc1)C2 ZINC000652870556 918041923 /nfs/dbraw/zinc/04/19/23/918041923.db2.gz AQCFZATWZXYVEE-KRWDZBQOSA-N 2 1 384.549 3.581 20 0 GHADMP Cc1ccnc([C@@H]2CC[NH+](C/C=C\C[N@@H+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749744 918466699 /nfs/dbraw/zinc/46/66/99/918466699.db2.gz YBDBHZIMCPLHPU-BUMKJDKQSA-N 2 1 376.548 3.928 20 0 GHADMP Cc1ccnc([C@@H]2CC[N@@H+](C/C=C\C[NH+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749744 918466712 /nfs/dbraw/zinc/46/67/12/918466712.db2.gz YBDBHZIMCPLHPU-BUMKJDKQSA-N 2 1 376.548 3.928 20 0 GHADMP Cc1ccnc([C@@H]2CC[N@H+](C/C=C\C[NH+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749744 918466717 /nfs/dbraw/zinc/46/67/17/918466717.db2.gz YBDBHZIMCPLHPU-BUMKJDKQSA-N 2 1 376.548 3.928 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC3CCCCC3)C3CC3)CC2)CC1 ZINC000654554539 919200330 /nfs/dbraw/zinc/20/03/30/919200330.db2.gz IBQDNMROFPGQRD-UHFFFAOYSA-N 2 1 375.601 3.754 20 0 GHADMP FC(F)(F)Cc1noc(-c2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)n1 ZINC000297525181 919402679 /nfs/dbraw/zinc/40/26/79/919402679.db2.gz XFOZIURJWPGXKI-UHFFFAOYSA-N 2 1 380.414 3.558 20 0 GHADMP CC[C@@H](C)[N@@H+](CCc1cncn1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000297597038 919476314 /nfs/dbraw/zinc/47/63/14/919476314.db2.gz FPGLSCWMWSVPDR-CQSZACIVSA-N 2 1 382.430 3.721 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OCc1ccc(F)cc1 ZINC000119409565 919629098 /nfs/dbraw/zinc/62/90/98/919629098.db2.gz HZXBSTJHZWNVPE-IBGZPJMESA-N 2 1 384.495 3.987 20 0 GHADMP CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364793179 920013155 /nfs/dbraw/zinc/01/31/55/920013155.db2.gz PHHJIGWHMUGYNE-HXUWFJFHSA-N 2 1 381.524 3.757 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000364793179 920013173 /nfs/dbraw/zinc/01/31/73/920013173.db2.gz PHHJIGWHMUGYNE-HXUWFJFHSA-N 2 1 381.524 3.757 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000364793179 920013191 /nfs/dbraw/zinc/01/31/91/920013191.db2.gz PHHJIGWHMUGYNE-HXUWFJFHSA-N 2 1 381.524 3.757 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903214710 922860282 /nfs/dbraw/zinc/86/02/82/922860282.db2.gz WMCNBPMRJRENGC-RTCXYQBTSA-N 2 1 389.584 3.912 20 0 GHADMP C[C@H]1[NH+](CCCCC[N@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000368823987 922899590 /nfs/dbraw/zinc/89/95/90/922899590.db2.gz OSMOKOIDQNTWNH-NHCUHLMSSA-N 2 1 378.601 3.939 20 0 GHADMP C[NH+](C)CC[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccnc1 ZINC000903376556 922973565 /nfs/dbraw/zinc/97/35/65/922973565.db2.gz FJHMHMJGRKHANU-DHIUTWEWSA-N 2 1 378.564 3.861 20 0 GHADMP Cc1csc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Cl ZINC000368989109 923037287 /nfs/dbraw/zinc/03/72/87/923037287.db2.gz GOEVPYBOZRNFES-UHFFFAOYSA-N 2 1 398.016 3.978 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495934 923074029 /nfs/dbraw/zinc/07/40/29/923074029.db2.gz CJLYTGJZFXLMPM-IJLUTSLNSA-N 2 1 377.838 3.603 20 0 GHADMP CCC[N@H+](Cc1nccn1C(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369329762 923281715 /nfs/dbraw/zinc/28/17/15/923281715.db2.gz NPRSTBJAMYBWNW-UHFFFAOYSA-N 2 1 378.471 3.566 20 0 GHADMP CCC[N@@H+](Cc1nccn1C(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369329762 923281721 /nfs/dbraw/zinc/28/17/21/923281721.db2.gz NPRSTBJAMYBWNW-UHFFFAOYSA-N 2 1 378.471 3.566 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccn(C4CCCC4)n3)CC2)CC1 ZINC000370557818 924167378 /nfs/dbraw/zinc/16/73/78/924167378.db2.gz PLTMWZHSBDNRPV-UHFFFAOYSA-N 2 1 387.616 3.626 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccn(C4CCCC4)n3)CC2)CC1 ZINC000370557818 924167386 /nfs/dbraw/zinc/16/73/86/924167386.db2.gz PLTMWZHSBDNRPV-UHFFFAOYSA-N 2 1 387.616 3.626 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc1 ZINC000676999377 924193107 /nfs/dbraw/zinc/19/31/07/924193107.db2.gz KTLHKWKQXZSIFJ-UHFFFAOYSA-N 2 1 393.491 3.549 20 0 GHADMP CC(C)c1ncc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000370856517 924329780 /nfs/dbraw/zinc/32/97/80/924329780.db2.gz PNZVOPNHINHDFV-UHFFFAOYSA-N 2 1 392.613 3.535 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3cccc(Br)c3)C2)CC1 ZINC000371331607 924530491 /nfs/dbraw/zinc/53/04/91/924530491.db2.gz JHLKPLGDUDOORD-PXNSSMCTSA-N 2 1 394.401 3.653 20 0 GHADMP C[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904878 924543865 /nfs/dbraw/zinc/54/38/65/924543865.db2.gz SXWFDPVIQSCEGY-FXAWDEMLSA-N 2 1 383.502 3.596 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678343610 924734831 /nfs/dbraw/zinc/73/48/31/924734831.db2.gz WUEXFVCDTLEYJV-OALUTQOASA-N 2 1 376.479 3.638 20 0 GHADMP C(=C/C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)\C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678636866 924856624 /nfs/dbraw/zinc/85/66/24/924856624.db2.gz NQOSSXIOYJJBRW-FARIHSPOSA-N 2 1 390.612 3.820 20 0 GHADMP C(=C/C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)\C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678636866 924856632 /nfs/dbraw/zinc/85/66/32/924856632.db2.gz NQOSSXIOYJJBRW-FARIHSPOSA-N 2 1 390.612 3.820 20 0 GHADMP C(=C/C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)\C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678636866 924856635 /nfs/dbraw/zinc/85/66/35/924856635.db2.gz NQOSSXIOYJJBRW-FARIHSPOSA-N 2 1 390.612 3.820 20 0 GHADMP CC(C)(O)C[N@H+]1CCc2c(cccc2NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000371811758 924877810 /nfs/dbraw/zinc/87/78/10/924877810.db2.gz XJDVEWFIZSXQAS-UHFFFAOYSA-N 2 1 399.501 3.644 20 0 GHADMP Brc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678686028 924884363 /nfs/dbraw/zinc/88/43/63/924884363.db2.gz NOWOQLAXFCKZJW-DNVCBOLYSA-N 2 1 379.342 3.669 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000679174379 925052312 /nfs/dbraw/zinc/05/23/12/925052312.db2.gz IBOBCCSSOFOZBZ-HXUWFJFHSA-N 2 1 386.584 3.731 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]2CCCO2)cc1 ZINC000679333757 925098542 /nfs/dbraw/zinc/09/85/42/925098542.db2.gz CRNSUWAMSOMREM-XWSJACJDSA-N 2 1 379.342 3.886 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2CCCO2)cc1 ZINC000679333757 925098552 /nfs/dbraw/zinc/09/85/52/925098552.db2.gz CRNSUWAMSOMREM-XWSJACJDSA-N 2 1 379.342 3.886 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000679769395 925261155 /nfs/dbraw/zinc/26/11/55/925261155.db2.gz GUHSMMPAUNNUIA-NQIIRXRSSA-N 2 1 390.572 3.538 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410369798 925581904 /nfs/dbraw/zinc/58/19/04/925581904.db2.gz BSKWWPYTDVQLGY-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1Cl)CC2 ZINC001137422001 925614367 /nfs/dbraw/zinc/61/43/67/925614367.db2.gz DPZNKNWBHXQANL-KRWDZBQOSA-N 2 1 375.900 3.584 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000827622316 925843114 /nfs/dbraw/zinc/84/31/14/925843114.db2.gz VGISHZWJZINICE-CFGKVWFZSA-N 2 1 394.515 3.858 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000827622316 925843119 /nfs/dbraw/zinc/84/31/19/925843119.db2.gz VGISHZWJZINICE-CFGKVWFZSA-N 2 1 394.515 3.858 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC001137453830 925844328 /nfs/dbraw/zinc/84/43/28/925844328.db2.gz HYTUECHVVLAJRY-UHFFFAOYSA-N 2 1 396.531 3.826 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)o1 ZINC000681689817 925880987 /nfs/dbraw/zinc/88/09/87/925880987.db2.gz RCCMURHZLSUNAR-QHCPKHFHSA-N 2 1 383.536 3.906 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000373141206 925884386 /nfs/dbraw/zinc/88/43/86/925884386.db2.gz UMFLXHPJGPMPAL-RXVVDRJESA-N 2 1 376.504 3.779 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000682654939 926198092 /nfs/dbraw/zinc/19/80/92/926198092.db2.gz VQPDUDSLYXQRAT-VXKWHMMOSA-N 2 1 396.535 3.584 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CCN1C ZINC000411335130 926310715 /nfs/dbraw/zinc/31/07/15/926310715.db2.gz QOCWYANCHFXDTN-DENIHFKCSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000411335130 926310723 /nfs/dbraw/zinc/31/07/23/926310723.db2.gz QOCWYANCHFXDTN-DENIHFKCSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000411335130 926310729 /nfs/dbraw/zinc/31/07/29/926310729.db2.gz QOCWYANCHFXDTN-DENIHFKCSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000411335130 926310736 /nfs/dbraw/zinc/31/07/36/926310736.db2.gz QOCWYANCHFXDTN-DENIHFKCSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000411335130 926310742 /nfs/dbraw/zinc/31/07/42/926310742.db2.gz QOCWYANCHFXDTN-DENIHFKCSA-N 2 1 379.548 3.697 20 0 GHADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC2 ZINC000411451825 926412604 /nfs/dbraw/zinc/41/26/04/926412604.db2.gz VNKLTEQSRWVXEQ-QFIPXVFZSA-N 2 1 397.588 3.904 20 0 GHADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC2 ZINC000411451825 926412611 /nfs/dbraw/zinc/41/26/11/926412611.db2.gz VNKLTEQSRWVXEQ-QFIPXVFZSA-N 2 1 397.588 3.904 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000411555307 926506987 /nfs/dbraw/zinc/50/69/87/926506987.db2.gz VTMNFWJURMHVCF-UWJYYQICSA-N 2 1 383.511 3.963 20 0 GHADMP COC(=O)C[C@@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccn1 ZINC000411559146 926520679 /nfs/dbraw/zinc/52/06/79/926520679.db2.gz HGSNYAUKIWOLOK-HSZRJFAPSA-N 2 1 381.520 3.636 20 0 GHADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000749583669 927202665 /nfs/dbraw/zinc/20/26/65/927202665.db2.gz SXWOSDPTFHEEBG-HXUWFJFHSA-N 2 1 392.975 3.685 20 0 GHADMP C[NH+]1CCCC12CCN(CCCCCCN1CCC3(CCC[N@@H+]3C)CC1)CC2 ZINC000374597875 927323729 /nfs/dbraw/zinc/32/37/29/927323729.db2.gz WWNWJOPFAJMLDW-UHFFFAOYSA-N 2 1 390.660 3.667 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796914 927533154 /nfs/dbraw/zinc/53/31/54/927533154.db2.gz DJODXRFAVGZQKM-MOPGFXCFSA-N 2 1 387.572 3.592 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796914 927533159 /nfs/dbraw/zinc/53/31/59/927533159.db2.gz DJODXRFAVGZQKM-MOPGFXCFSA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796914 927533163 /nfs/dbraw/zinc/53/31/63/927533163.db2.gz DJODXRFAVGZQKM-MOPGFXCFSA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796914 927533167 /nfs/dbraw/zinc/53/31/67/927533167.db2.gz DJODXRFAVGZQKM-MOPGFXCFSA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000374872408 927635870 /nfs/dbraw/zinc/63/58/70/927635870.db2.gz DTZPFBWIQHRDPS-NRFANRHFSA-N 2 1 394.563 3.871 20 0 GHADMP C[N@@H+](CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000751081852 928018717 /nfs/dbraw/zinc/01/87/17/928018717.db2.gz WJKGOINTZIOKHC-UHFFFAOYSA-N 2 1 378.605 3.737 20 0 GHADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375237468 928078546 /nfs/dbraw/zinc/07/85/46/928078546.db2.gz OCRJNBVTLIOHON-UHFFFAOYSA-N 2 1 388.581 3.561 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000544198640 928922706 /nfs/dbraw/zinc/92/27/06/928922706.db2.gz RQAPHTGRSGWICZ-WSTZPKSXSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000544198640 928922712 /nfs/dbraw/zinc/92/27/12/928922712.db2.gz RQAPHTGRSGWICZ-WSTZPKSXSA-N 2 1 386.584 3.730 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)[C@@H](c2ccccc2)C1 ZINC000467315077 928950436 /nfs/dbraw/zinc/95/04/36/928950436.db2.gz YZPUBOHAAOWHBE-DHIUTWEWSA-N 2 1 382.527 3.640 20 0 GHADMP CC(C)N1CCc2nc(C[N@H+]3CCC[C@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543992 929182734 /nfs/dbraw/zinc/18/27/34/929182734.db2.gz SIHGUBZUMCODIW-NEPXVJNWSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543992 929182739 /nfs/dbraw/zinc/18/27/39/929182739.db2.gz SIHGUBZUMCODIW-NEPXVJNWSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543992 929182746 /nfs/dbraw/zinc/18/27/46/929182746.db2.gz SIHGUBZUMCODIW-NEPXVJNWSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543992 929182756 /nfs/dbraw/zinc/18/27/56/929182756.db2.gz SIHGUBZUMCODIW-NEPXVJNWSA-N 2 1 377.598 3.671 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(Br)c1OC(F)F ZINC000469833003 930189838 /nfs/dbraw/zinc/18/98/38/930189838.db2.gz WHZNIZUJMKPFDR-UHFFFAOYSA-N 2 1 393.272 3.620 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000469844357 930200597 /nfs/dbraw/zinc/20/05/97/930200597.db2.gz YVWJKLGFAMXVBA-FGCOXFRFSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000469844357 930200602 /nfs/dbraw/zinc/20/06/02/930200602.db2.gz YVWJKLGFAMXVBA-FGCOXFRFSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000469844357 930200607 /nfs/dbraw/zinc/20/06/07/930200607.db2.gz YVWJKLGFAMXVBA-FGCOXFRFSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000469844357 930200613 /nfs/dbraw/zinc/20/06/13/930200613.db2.gz YVWJKLGFAMXVBA-FGCOXFRFSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1 ZINC000470198687 930447615 /nfs/dbraw/zinc/44/76/15/930447615.db2.gz UHCYDKTWOZYMTI-QGZVFWFLSA-N 2 1 385.939 3.621 20 0 GHADMP C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780880553 930625366 /nfs/dbraw/zinc/62/53/66/930625366.db2.gz XYHLNAAZHRFFTN-ICSRJNTNSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C(C)C ZINC000470504310 930669635 /nfs/dbraw/zinc/66/96/35/930669635.db2.gz VYEAJOWQYYNKAG-LJQANCHMSA-N 2 1 382.980 3.751 20 0 GHADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000781422884 930838411 /nfs/dbraw/zinc/83/84/11/930838411.db2.gz QDMAWCSGVDWEFU-GOUWZUTHSA-N 2 1 382.523 3.924 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)CCCO2 ZINC000781923381 931030942 /nfs/dbraw/zinc/03/09/42/931030942.db2.gz NCDRJXLZPMEIJF-PKTZIBPZSA-N 2 1 380.532 3.819 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCCO2 ZINC000781923379 931031460 /nfs/dbraw/zinc/03/14/60/931031460.db2.gz NCDRJXLZPMEIJF-GOTSBHOMSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@]1(c2ccccc2)CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000777518454 931339663 /nfs/dbraw/zinc/33/96/63/931339663.db2.gz GZSVHZDCKBAIGJ-DEOSSOPVSA-N 2 1 383.580 3.722 20 0 GHADMP O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000782930682 931367422 /nfs/dbraw/zinc/36/74/22/931367422.db2.gz DHRDJIOXPJWNST-HXUWFJFHSA-N 2 1 397.563 3.793 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC000557375067 931386150 /nfs/dbraw/zinc/38/61/50/931386150.db2.gz XFZACETWNIMUSV-HXUWFJFHSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C)CC1 ZINC000557375067 931386156 /nfs/dbraw/zinc/38/61/56/931386156.db2.gz XFZACETWNIMUSV-HXUWFJFHSA-N 2 1 391.559 3.695 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000777527571 931386380 /nfs/dbraw/zinc/38/63/80/931386380.db2.gz AJZLILBVKNLQNX-XMMPIXPASA-N 2 1 379.548 3.718 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000777527571 931386382 /nfs/dbraw/zinc/38/63/82/931386382.db2.gz AJZLILBVKNLQNX-XMMPIXPASA-N 2 1 379.548 3.718 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000557384076 931392267 /nfs/dbraw/zinc/39/22/67/931392267.db2.gz OQXACRKNPQMYFQ-JOCHJYFZSA-N 2 1 375.532 3.589 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(CC[NH+](C)C)cc3)cc2)C1 ZINC000557525297 931518637 /nfs/dbraw/zinc/51/86/37/931518637.db2.gz QYBBQSQFPGEQRI-FQEVSTJZSA-N 2 1 393.575 3.953 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccnn3CC3CCC3)CC2)oc1C ZINC000925041113 931622234 /nfs/dbraw/zinc/62/22/34/931622234.db2.gz YBSYBLOZXOHDTO-KRWDZBQOSA-N 2 1 385.556 3.851 20 0 GHADMP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925205433 931700438 /nfs/dbraw/zinc/70/04/38/931700438.db2.gz IQPIUXGBBRVOPA-ZHRRBRCNSA-N 2 1 375.532 3.778 20 0 GHADMP Cc1cc(C)cc([C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2cccnc2)c1 ZINC000925655558 931865757 /nfs/dbraw/zinc/86/57/57/931865757.db2.gz WAZHAFHKBUXXJU-DEOSSOPVSA-N 2 1 390.531 3.913 20 0 GHADMP O=C(Nc1ccccc1-c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000925905349 931950997 /nfs/dbraw/zinc/95/09/97/931950997.db2.gz WIOKHXXUNUHZFF-OYRHEFFESA-N 2 1 390.531 3.786 20 0 GHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000796758513 932055764 /nfs/dbraw/zinc/05/57/64/932055764.db2.gz DHJMTJLXMRYFIC-RPWUZVMVSA-N 2 1 395.547 3.607 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926128027 932058068 /nfs/dbraw/zinc/05/80/68/932058068.db2.gz YAMLEMCJORYEBN-GHTZIAJQSA-N 2 1 385.939 3.859 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926128027 932058075 /nfs/dbraw/zinc/05/80/75/932058075.db2.gz YAMLEMCJORYEBN-GHTZIAJQSA-N 2 1 385.939 3.859 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[C@H]2CCC[C@H]21 ZINC000796947115 932118622 /nfs/dbraw/zinc/11/86/22/932118622.db2.gz HWMNQMRRUIWMIJ-QHAWAJNXSA-N 2 1 385.552 3.900 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777610872 932354182 /nfs/dbraw/zinc/35/41/82/932354182.db2.gz PQMPAMNCUQQFDE-YKSBVNFPSA-N 2 1 378.564 3.761 20 0 GHADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)n1 ZINC000927051397 932391333 /nfs/dbraw/zinc/39/13/33/932391333.db2.gz FCTSAOLGANWOPB-LUYSREMJSA-N 2 1 380.536 3.911 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559268861 932567143 /nfs/dbraw/zinc/56/71/43/932567143.db2.gz KQCZTAMPFHDMQM-UNMCSNQZSA-N 2 1 399.604 3.987 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000559268861 932567151 /nfs/dbraw/zinc/56/71/51/932567151.db2.gz KQCZTAMPFHDMQM-UNMCSNQZSA-N 2 1 399.604 3.987 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000559268861 932567159 /nfs/dbraw/zinc/56/71/59/932567159.db2.gz KQCZTAMPFHDMQM-UNMCSNQZSA-N 2 1 399.604 3.987 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798480534 932664155 /nfs/dbraw/zinc/66/41/55/932664155.db2.gz WBXKOWKPONEMRQ-HSZRJFAPSA-N 2 1 380.536 3.782 20 0 GHADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935406 932823346 /nfs/dbraw/zinc/82/33/46/932823346.db2.gz PZNTWXOJKNEHIQ-HYBUGGRVSA-N 2 1 379.548 3.930 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936085 932824405 /nfs/dbraw/zinc/82/44/05/932824405.db2.gz XJHFNESKWLOOQX-LOSJGSFVSA-N 2 1 391.559 3.982 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(OC)c1OC ZINC000559751782 932838137 /nfs/dbraw/zinc/83/81/37/932838137.db2.gz MJVDGWGWCHEWJP-PMACEKPBSA-N 2 1 384.520 3.680 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)c1OC ZINC000559751782 932838143 /nfs/dbraw/zinc/83/81/43/932838143.db2.gz MJVDGWGWCHEWJP-PMACEKPBSA-N 2 1 384.520 3.680 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@@H](C(=O)NCc3ccccc3)c3ccccc3)C2)CC1 ZINC000799177514 932898000 /nfs/dbraw/zinc/89/80/00/932898000.db2.gz TVMLNBQXFIDZEU-HSZRJFAPSA-N 2 1 391.559 3.852 20 0 GHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Br)c1OC ZINC000799179706 932900870 /nfs/dbraw/zinc/90/08/70/932900870.db2.gz RSPMWFPWXRUMBF-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP COC[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000559858141 932912471 /nfs/dbraw/zinc/91/24/71/932912471.db2.gz QVBBFXUVBJXXDJ-QTJGBDASSA-N 2 1 380.532 3.526 20 0 GHADMP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000559858141 932912478 /nfs/dbraw/zinc/91/24/78/932912478.db2.gz QVBBFXUVBJXXDJ-QTJGBDASSA-N 2 1 380.532 3.526 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000559890378 932925029 /nfs/dbraw/zinc/92/50/29/932925029.db2.gz FLFIGAYZKFJWGM-YTFSRNRJSA-N 2 1 398.591 3.853 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1(C)C ZINC000799346874 932960773 /nfs/dbraw/zinc/96/07/73/932960773.db2.gz RZBMBUCBYMOFDB-UHFFFAOYSA-N 2 1 385.527 3.520 20 0 GHADMP NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000560537909 933323077 /nfs/dbraw/zinc/32/30/77/933323077.db2.gz VBPKXSRGCFRDGI-TZRRMPRUSA-N 2 1 391.559 3.608 20 0 GHADMP Cc1cc(CN2CCC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC001116443435 933560732 /nfs/dbraw/zinc/56/07/32/933560732.db2.gz VODXOMHGVZZDNP-UHFFFAOYSA-N 2 1 384.568 3.649 20 0 GHADMP Cc1cc(CN2CCC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC001116443435 933560739 /nfs/dbraw/zinc/56/07/39/933560739.db2.gz VODXOMHGVZZDNP-UHFFFAOYSA-N 2 1 384.568 3.649 20 0 GHADMP Cc1cc(CN2CCC[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)no1 ZINC001116443435 933560748 /nfs/dbraw/zinc/56/07/48/933560748.db2.gz VODXOMHGVZZDNP-UHFFFAOYSA-N 2 1 384.568 3.649 20 0 GHADMP Cc1cc(CN2CCC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)no1 ZINC001116443435 933560751 /nfs/dbraw/zinc/56/07/51/933560751.db2.gz VODXOMHGVZZDNP-UHFFFAOYSA-N 2 1 384.568 3.649 20 0 GHADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(C)n1 ZINC000561278635 934013475 /nfs/dbraw/zinc/01/34/75/934013475.db2.gz NTZZVQHGDXPJBQ-PGRDOPGGSA-N 2 1 394.563 3.673 20 0 GHADMP Cn1nccc1[C@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932262234 934862957 /nfs/dbraw/zinc/86/29/57/934862957.db2.gz VBUUDMSNGVYRCV-FGZHOGPDSA-N 2 1 384.572 3.688 20 0 GHADMP [NH3+]Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000829044738 935758735 /nfs/dbraw/zinc/75/87/35/935758735.db2.gz CMBQYAJDYHCUJT-UHFFFAOYSA-N 2 1 392.330 3.847 20 0 GHADMP Cc1c(Cl)cccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910523 1014572854 /nfs/dbraw/zinc/57/28/54/1014572854.db2.gz FOZHCAXPKTYWOK-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1c(Cl)cccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910523 1014572867 /nfs/dbraw/zinc/57/28/67/1014572867.db2.gz FOZHCAXPKTYWOK-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH2+][C@@H](C)c1ccccc1 ZINC000468005835 1015132170 /nfs/dbraw/zinc/13/21/70/1015132170.db2.gz PLPXACATJFIZIY-PDGJWGCVSA-N 2 1 386.584 3.630 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468020496 1015153560 /nfs/dbraw/zinc/15/35/60/1015153560.db2.gz FVEKADAEHVHKMR-SYYKKAFVSA-N 2 1 386.584 3.630 20 0 GHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544894875 1015169266 /nfs/dbraw/zinc/16/92/66/1015169266.db2.gz YHTVLKWXURKJAB-JAXLGGSGSA-N 2 1 379.548 3.733 20 0 GHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468557151 1015803955 /nfs/dbraw/zinc/80/39/55/1015803955.db2.gz XSCWSSIUBQHSEH-OXJNMPFZSA-N 2 1 378.969 3.949 20 0 GHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468557151 1015803961 /nfs/dbraw/zinc/80/39/61/1015803961.db2.gz XSCWSSIUBQHSEH-OXJNMPFZSA-N 2 1 378.969 3.949 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545457616 1015893179 /nfs/dbraw/zinc/89/31/79/1015893179.db2.gz HJGINIJHASWACH-FGZHOGPDSA-N 2 1 387.955 3.845 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000469765647 1016618365 /nfs/dbraw/zinc/61/83/65/1016618365.db2.gz USIXMMKDMJKQIZ-HZPDHXFCSA-N 2 1 387.474 3.650 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470492095 1016798030 /nfs/dbraw/zinc/79/80/30/1016798030.db2.gz LMQAXNADVPEKGQ-QFIPXVFZSA-N 2 1 388.600 3.801 20 0 GHADMP CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001220929251 1032194639 /nfs/dbraw/zinc/19/46/39/1032194639.db2.gz BWWPFGFSNIYTNR-QFBILLFUSA-N 2 1 382.980 3.608 20 0 GHADMP CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001220929251 1032194656 /nfs/dbraw/zinc/19/46/56/1032194656.db2.gz BWWPFGFSNIYTNR-QFBILLFUSA-N 2 1 382.980 3.608 20 0 GHADMP O=C(N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001221033794 1032245213 /nfs/dbraw/zinc/24/52/13/1032245213.db2.gz KLVTUBLLRDNYMW-FYYLOGMGSA-N 2 1 395.522 3.505 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CC[N@@H+](C3CCCC3)[C@H](C)C2)c1 ZINC001154889464 1032330299 /nfs/dbraw/zinc/33/02/99/1032330299.db2.gz NTQMBRWIEQLMTM-OFNKIYASSA-N 2 1 383.580 3.825 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCCC3)[C@H](C)C2)c1 ZINC001154889464 1032330311 /nfs/dbraw/zinc/33/03/11/1032330311.db2.gz NTQMBRWIEQLMTM-OFNKIYASSA-N 2 1 383.580 3.825 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCCC3)[C@H](C)C2)c1 ZINC001154889464 1032330335 /nfs/dbraw/zinc/33/03/35/1032330335.db2.gz NTQMBRWIEQLMTM-OFNKIYASSA-N 2 1 383.580 3.825 20 0 GHADMP Cc1cccc([C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)(C)C)c1 ZINC001221280341 1032358421 /nfs/dbraw/zinc/35/84/21/1032358421.db2.gz SCHSGIVYSVZXCX-AZUAARDMSA-N 2 1 376.589 3.653 20 0 GHADMP Cc1cccc([C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)(C)C)c1 ZINC001221280341 1032358433 /nfs/dbraw/zinc/35/84/33/1032358433.db2.gz SCHSGIVYSVZXCX-AZUAARDMSA-N 2 1 376.589 3.653 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CCC[NH2+]C[C@H]3C)c2c1C ZINC001155034530 1032389060 /nfs/dbraw/zinc/38/90/60/1032389060.db2.gz WXZRDNAHMJTONZ-RHSMWYFYSA-N 2 1 387.597 3.952 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccco1 ZINC001221546678 1032456934 /nfs/dbraw/zinc/45/69/34/1032456934.db2.gz CEFMWMWCICJEMU-NHCUHLMSSA-N 2 1 398.551 3.545 20 0 GHADMP C[N@H+]1CCCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC001221581712 1032470052 /nfs/dbraw/zinc/47/00/52/1032470052.db2.gz FAFZOSXXPHTCLO-QFIPXVFZSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001155247728 1032470860 /nfs/dbraw/zinc/47/08/60/1032470860.db2.gz LCYHIPSLBHXBIB-KRWDZBQOSA-N 2 1 383.499 3.999 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([NH3+])Cc4ccccc43)c2c1C ZINC001155305721 1032494995 /nfs/dbraw/zinc/49/49/95/1032494995.db2.gz DCMQPMGDHPFEFI-QGZVFWFLSA-N 2 1 393.560 3.925 20 0 GHADMP CCc1cc(CC)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155360769 1032518187 /nfs/dbraw/zinc/51/81/87/1032518187.db2.gz CHEDPXSAJBYPGF-FQEVSTJZSA-N 2 1 393.579 3.515 20 0 GHADMP CCc1c(Cl)ncnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155360892 1032518875 /nfs/dbraw/zinc/51/88/75/1032518875.db2.gz GCUCHQITNXZNKM-SFHVURJKSA-N 2 1 399.970 3.606 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1cc(N3CCCC3)[nH+]c(C)n1)CC21CC[NH2+]CC1 ZINC001155431099 1032539220 /nfs/dbraw/zinc/53/92/20/1032539220.db2.gz PIVLFGOIBKAFIJ-HXUWFJFHSA-N 2 1 377.536 3.872 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815492 1032543455 /nfs/dbraw/zinc/54/34/55/1032543455.db2.gz IDKAYZWXMRZWQU-KXBFYZLASA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815492 1032543461 /nfs/dbraw/zinc/54/34/61/1032543461.db2.gz IDKAYZWXMRZWQU-KXBFYZLASA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815492 1032543464 /nfs/dbraw/zinc/54/34/64/1032543464.db2.gz IDKAYZWXMRZWQU-KXBFYZLASA-N 2 1 380.964 3.505 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221913153 1032570868 /nfs/dbraw/zinc/57/08/68/1032570868.db2.gz FMNBUMBCHCTQKG-PGFLUOATSA-N 2 1 378.605 3.593 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001204180981 1032632574 /nfs/dbraw/zinc/63/25/74/1032632574.db2.gz YHAYTXUXTFCVBQ-XMMPIXPASA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001204180981 1032632588 /nfs/dbraw/zinc/63/25/88/1032632588.db2.gz YHAYTXUXTFCVBQ-XMMPIXPASA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001204180981 1032632590 /nfs/dbraw/zinc/63/25/90/1032632590.db2.gz YHAYTXUXTFCVBQ-XMMPIXPASA-N 2 1 399.579 3.841 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](Cc2cccnc2)C2CCOCC2)cc1 ZINC001204268655 1032711675 /nfs/dbraw/zinc/71/16/75/1032711675.db2.gz MDGIJNACRVTING-UHFFFAOYSA-N 2 1 383.536 3.593 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000560585117 1017670965 /nfs/dbraw/zinc/67/09/65/1017670965.db2.gz QMNZDAUPZINIJI-WDSOQIARSA-N 2 1 394.401 3.965 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000560585117 1017670972 /nfs/dbraw/zinc/67/09/72/1017670972.db2.gz QMNZDAUPZINIJI-WDSOQIARSA-N 2 1 394.401 3.965 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccccc3SC)CC2)CC1 ZINC000563400760 1018911154 /nfs/dbraw/zinc/91/11/54/1018911154.db2.gz VHOVFLVOQQLXFS-QGZVFWFLSA-N 2 1 389.609 3.782 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168853 1032819786 /nfs/dbraw/zinc/81/97/86/1032819786.db2.gz OVARXBZDJJMCJO-RTBURBONSA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168853 1032819800 /nfs/dbraw/zinc/81/98/00/1032819800.db2.gz OVARXBZDJJMCJO-RTBURBONSA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168853 1032819820 /nfs/dbraw/zinc/81/98/20/1032819820.db2.gz OVARXBZDJJMCJO-RTBURBONSA-N 2 1 394.991 3.895 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOCC(F)(F)C(F)F)C2)s1 ZINC000569154832 1019468503 /nfs/dbraw/zinc/46/85/03/1019468503.db2.gz PYSPKNFBMZQDSJ-AWEZNQCLSA-N 2 1 382.467 3.727 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000569352589 1019479786 /nfs/dbraw/zinc/47/97/86/1019479786.db2.gz WASVATHCEYJYIX-SFHLNBCPSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000569352589 1019479793 /nfs/dbraw/zinc/47/97/93/1019479793.db2.gz WASVATHCEYJYIX-SFHLNBCPSA-N 2 1 388.577 3.777 20 0 GHADMP CCc1nc2c(s1)[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CCC2 ZINC000571827759 1019714853 /nfs/dbraw/zinc/71/48/53/1019714853.db2.gz SAMZHMPMGIKGRL-ICSRJNTNSA-N 2 1 384.593 3.661 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000575333273 1019933444 /nfs/dbraw/zinc/93/34/44/1019933444.db2.gz FLJNCRZWPMXVBE-CVDCTZTESA-N 2 1 377.532 3.848 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001204493693 1032926749 /nfs/dbraw/zinc/92/67/49/1032926749.db2.gz VDRHTJKZWSPVRI-AKIFATBCSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001204493693 1032926751 /nfs/dbraw/zinc/92/67/51/1032926751.db2.gz VDRHTJKZWSPVRI-AKIFATBCSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001204493693 1032926759 /nfs/dbraw/zinc/92/67/59/1032926759.db2.gz VDRHTJKZWSPVRI-AKIFATBCSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001204493693 1032926764 /nfs/dbraw/zinc/92/67/64/1032926764.db2.gz VDRHTJKZWSPVRI-AKIFATBCSA-N 2 1 377.532 3.749 20 0 GHADMP Cc1c(F)cccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001204508603 1032938289 /nfs/dbraw/zinc/93/82/89/1032938289.db2.gz HSOSKLKMBGGLGA-YMPZKCBVSA-N 2 1 390.543 3.614 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001140268816 1021290537 /nfs/dbraw/zinc/29/05/37/1021290537.db2.gz HUNPCUNIYNARLN-CTNGQTDRSA-N 2 1 390.531 3.916 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001140268816 1021290547 /nfs/dbraw/zinc/29/05/47/1021290547.db2.gz HUNPCUNIYNARLN-CTNGQTDRSA-N 2 1 390.531 3.916 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001140268816 1021290553 /nfs/dbraw/zinc/29/05/53/1021290553.db2.gz HUNPCUNIYNARLN-CTNGQTDRSA-N 2 1 390.531 3.916 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001140268816 1021290563 /nfs/dbraw/zinc/29/05/63/1021290563.db2.gz HUNPCUNIYNARLN-CTNGQTDRSA-N 2 1 390.531 3.916 20 0 GHADMP c1csc(-c2cccc(CN3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001140332661 1021428547 /nfs/dbraw/zinc/42/85/47/1021428547.db2.gz ZQTPHVAPBBYTOE-SFTDATJTSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(-c2cccc(CN3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)c2)n1 ZINC001140332660 1021428825 /nfs/dbraw/zinc/42/88/25/1021428825.db2.gz ZQTPHVAPBBYTOE-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP C[N@@H+](CCc1ccccc1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001204604805 1032991193 /nfs/dbraw/zinc/99/11/93/1032991193.db2.gz XZISFJHPDDWSHE-UHFFFAOYSA-N 2 1 388.353 3.533 20 0 GHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000678771227 1021924636 /nfs/dbraw/zinc/92/46/36/1021924636.db2.gz LQTGUJKNFXOZJK-IHLLOCCUSA-N 2 1 391.559 3.797 20 0 GHADMP Cc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(OCC[NH+](C)C)c1 ZINC000678891757 1021937240 /nfs/dbraw/zinc/93/72/40/1021937240.db2.gz WUXIXKWRJLIGCM-LJQANCHMSA-N 2 1 398.551 3.577 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)CC[NH+]1C ZINC000679087191 1021959685 /nfs/dbraw/zinc/95/96/85/1021959685.db2.gz RMCHUOPHRHEHLJ-JZXOWHBKSA-N 2 1 376.520 3.533 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cc(NC(=O)C[NH+]3CCCC[C@@H]3C)ccc2F)CC[N@@H+]1C ZINC000679087191 1021959690 /nfs/dbraw/zinc/95/96/90/1021959690.db2.gz RMCHUOPHRHEHLJ-JZXOWHBKSA-N 2 1 376.520 3.533 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cc(NC(=O)C[NH+]3CCCC[C@@H]3C)ccc2F)CC[N@H+]1C ZINC000679087191 1021959698 /nfs/dbraw/zinc/95/96/98/1021959698.db2.gz RMCHUOPHRHEHLJ-JZXOWHBKSA-N 2 1 376.520 3.533 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679327302 1021986108 /nfs/dbraw/zinc/98/61/08/1021986108.db2.gz HHAOPEWMOKDEAC-ACIOBRDBSA-N 2 1 382.548 3.543 20 0 GHADMP c1ccc(C[NH+]2CC(CNc3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C2)cc1 ZINC001156401416 1033020342 /nfs/dbraw/zinc/02/03/42/1033020342.db2.gz YOVXKYOAVZPKSF-UHFFFAOYSA-N 2 1 399.542 3.579 20 0 GHADMP c1ccc(C[NH+]2CC(CNc3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C2)cc1 ZINC001156401416 1033020353 /nfs/dbraw/zinc/02/03/53/1033020353.db2.gz YOVXKYOAVZPKSF-UHFFFAOYSA-N 2 1 399.542 3.579 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000679994786 1022070015 /nfs/dbraw/zinc/07/00/15/1022070015.db2.gz OWNDUPHOBPJWGA-TZIWHRDSSA-N 2 1 395.950 3.994 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccc1N)CC2 ZINC001140713943 1022346301 /nfs/dbraw/zinc/34/63/01/1022346301.db2.gz IIICHNFKBCVBRL-SFHVURJKSA-N 2 1 389.927 3.771 20 0 GHADMP Brc1ccnc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001140764568 1022469479 /nfs/dbraw/zinc/46/94/79/1022469479.db2.gz GISNJIRTZQXOAR-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Brc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001140764568 1022469487 /nfs/dbraw/zinc/46/94/87/1022469487.db2.gz GISNJIRTZQXOAR-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Brc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001140764568 1022469495 /nfs/dbraw/zinc/46/94/95/1022469495.db2.gz GISNJIRTZQXOAR-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4c[nH]c5cc[nH+]cc45)C[C@H]3O2)n1 ZINC001140800996 1022568513 /nfs/dbraw/zinc/56/85/13/1022568513.db2.gz DFCGAIKPXAQIQV-ONGXBYRLSA-N 2 1 377.492 3.828 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4c[nH]c5cc[nH+]cc45)C[C@H]3O2)n1 ZINC001140800996 1022568525 /nfs/dbraw/zinc/56/85/25/1022568525.db2.gz DFCGAIKPXAQIQV-ONGXBYRLSA-N 2 1 377.492 3.828 20 0 GHADMP [NH3+]CC[C@H]1C[N@@H+](Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CCO1 ZINC001204757510 1033070759 /nfs/dbraw/zinc/07/07/59/1033070759.db2.gz YWXMWHAKGZREEU-FQEVSTJZSA-N 2 1 383.923 3.893 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204763779 1033076044 /nfs/dbraw/zinc/07/60/44/1033076044.db2.gz QGTRGLMFUKGMJI-JOCHJYFZSA-N 2 1 377.532 3.942 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204763779 1033076058 /nfs/dbraw/zinc/07/60/58/1033076058.db2.gz QGTRGLMFUKGMJI-JOCHJYFZSA-N 2 1 377.532 3.942 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+](CCCCCCO)Cc2ccccc2)CC1 ZINC001140974502 1023052854 /nfs/dbraw/zinc/05/28/54/1023052854.db2.gz ANYWUIDRCOOLLT-UHFFFAOYSA-N 2 1 395.591 3.993 20 0 GHADMP c1cc(-c2ccccn2)sc1CN1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140999989 1023135809 /nfs/dbraw/zinc/13/58/09/1023135809.db2.gz NZCFVJOMPFZJEI-QZTJIDSGSA-N 2 1 376.529 3.769 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3c(=O)sc4c3CC[C@@H](C(C)(C)C)C4)C2)CC1 ZINC000755780887 1023374880 /nfs/dbraw/zinc/37/48/80/1023374880.db2.gz QOLCZLPODIKEFR-QZTJIDSGSA-N 2 1 391.625 3.682 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3c(=O)sc4c3CC[C@@H](C(C)(C)C)C4)C2)CC1 ZINC000755780887 1023374888 /nfs/dbraw/zinc/37/48/88/1023374888.db2.gz QOLCZLPODIKEFR-QZTJIDSGSA-N 2 1 391.625 3.682 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000756892808 1023850146 /nfs/dbraw/zinc/85/01/46/1023850146.db2.gz PSPVPNOPUMCBCZ-UHFFFAOYSA-N 2 1 387.568 3.540 20 0 GHADMP COc1ccc2nccc(CN3CCC[C@]4(C3)COCC[N@H+](C(C)C)C4)c2c1 ZINC001141149001 1023971567 /nfs/dbraw/zinc/97/15/67/1023971567.db2.gz YTVMCEWJAQJGFT-HSZRJFAPSA-N 2 1 383.536 3.566 20 0 GHADMP CCOc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001138097577 1024070798 /nfs/dbraw/zinc/07/07/98/1024070798.db2.gz YNAPMVSBSPCGDG-JOCHJYFZSA-N 2 1 395.547 3.736 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1F ZINC001141220973 1024176979 /nfs/dbraw/zinc/17/69/79/1024176979.db2.gz RMFVXIZVSVMIIG-SFHVURJKSA-N 2 1 388.483 3.683 20 0 GHADMP Clc1cc(Cl)cc(C2=CC[N@H+](Cc3cnc4n3CC[NH2+]CC4)CC2)c1 ZINC001205002067 1033202109 /nfs/dbraw/zinc/20/21/09/1033202109.db2.gz YQNWQSDLZVODCS-UHFFFAOYSA-N 2 1 377.319 3.625 20 0 GHADMP Clc1cc(Cl)cc(C2=CC[N@@H+](Cc3cnc4n3CC[NH2+]CC4)CC2)c1 ZINC001205002067 1033202126 /nfs/dbraw/zinc/20/21/26/1033202126.db2.gz YQNWQSDLZVODCS-UHFFFAOYSA-N 2 1 377.319 3.625 20 0 GHADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001141263708 1024329887 /nfs/dbraw/zinc/32/98/87/1024329887.db2.gz DYWIAKWENZUMFL-OYDLWJJNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001141263708 1024329904 /nfs/dbraw/zinc/32/99/04/1024329904.db2.gz DYWIAKWENZUMFL-OYDLWJJNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001141263708 1024329924 /nfs/dbraw/zinc/32/99/24/1024329924.db2.gz DYWIAKWENZUMFL-OYDLWJJNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001141263708 1024329942 /nfs/dbraw/zinc/32/99/42/1024329942.db2.gz DYWIAKWENZUMFL-OYDLWJJNSA-N 2 1 378.564 3.880 20 0 GHADMP [NH3+]CCCCCCNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000831248767 1024451678 /nfs/dbraw/zinc/45/16/78/1024451678.db2.gz MRBBHUOHMZNMLX-UHFFFAOYSA-N 2 1 394.563 3.622 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001138371259 1024733966 /nfs/dbraw/zinc/73/39/66/1024733966.db2.gz QPNJNRSEODCSCN-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP Cc1c(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)sc2ccccc12 ZINC001138462392 1024891190 /nfs/dbraw/zinc/89/11/90/1024891190.db2.gz ZEJNRFZVWYSNOG-UHFFFAOYSA-N 2 1 399.604 3.974 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@H]3C2)cc1 ZINC001141413266 1024933304 /nfs/dbraw/zinc/93/33/04/1024933304.db2.gz MMADMMGILHPDOE-DHIUTWEWSA-N 2 1 392.543 3.808 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC001138528392 1024968127 /nfs/dbraw/zinc/96/81/27/1024968127.db2.gz WJMNJGOXBLNMKE-NFBKMPQASA-N 2 1 397.588 3.990 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC001138528392 1024968128 /nfs/dbraw/zinc/96/81/28/1024968128.db2.gz WJMNJGOXBLNMKE-NFBKMPQASA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC001138528392 1024968134 /nfs/dbraw/zinc/96/81/34/1024968134.db2.gz WJMNJGOXBLNMKE-NFBKMPQASA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)C1 ZINC001138528392 1024968139 /nfs/dbraw/zinc/96/81/39/1024968139.db2.gz WJMNJGOXBLNMKE-NFBKMPQASA-N 2 1 397.588 3.990 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 ZINC001138543967 1024986798 /nfs/dbraw/zinc/98/67/98/1024986798.db2.gz AGZLYXYRFZZHBL-VQTJNVASSA-N 2 1 382.508 3.764 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 ZINC001138543967 1024986801 /nfs/dbraw/zinc/98/68/01/1024986801.db2.gz AGZLYXYRFZZHBL-VQTJNVASSA-N 2 1 382.508 3.764 20 0 GHADMP COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138543920 1024987431 /nfs/dbraw/zinc/98/74/31/1024987431.db2.gz ZTXLMYZCLXWNMV-UHFFFAOYSA-N 2 1 382.508 3.625 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC001138547147 1024993727 /nfs/dbraw/zinc/99/37/27/1024993727.db2.gz GBIMJHPJLLFQQS-UHFFFAOYSA-N 2 1 396.498 3.634 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cc1 ZINC001138547147 1024993731 /nfs/dbraw/zinc/99/37/31/1024993731.db2.gz GBIMJHPJLLFQQS-UHFFFAOYSA-N 2 1 396.498 3.634 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001138551860 1025006122 /nfs/dbraw/zinc/00/61/22/1025006122.db2.gz OTLCHIYVLBRSMW-SESVDKBCSA-N 2 1 396.535 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001138551860 1025006135 /nfs/dbraw/zinc/00/61/35/1025006135.db2.gz OTLCHIYVLBRSMW-SESVDKBCSA-N 2 1 396.535 3.916 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001138769735 1025339011 /nfs/dbraw/zinc/33/90/11/1025339011.db2.gz YGBWWKWODVZYEV-NOZRDPDXSA-N 2 1 393.575 3.723 20 0 GHADMP Clc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c[nH]c21 ZINC001138832839 1025443220 /nfs/dbraw/zinc/44/32/20/1025443220.db2.gz RNCJAABBPIFPKL-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP [NH3+][C@@H](CCc1ccc(O)cc1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001205181623 1033288308 /nfs/dbraw/zinc/28/83/08/1033288308.db2.gz AVFPFISLRVHZCH-LSSBLYJVSA-N 2 1 391.475 3.536 20 0 GHADMP CN(C)c1cc(F)cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162935251 1025972279 /nfs/dbraw/zinc/97/22/79/1025972279.db2.gz PYANQOZRWOECLT-HXUWFJFHSA-N 2 1 396.554 3.805 20 0 GHADMP CCOc1cc(C)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cn1 ZINC001162940406 1025976300 /nfs/dbraw/zinc/97/63/00/1025976300.db2.gz CXRPMDCEODZISX-NRFANRHFSA-N 2 1 394.563 3.702 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cnc4c(c3)CN=N4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941100 1025977625 /nfs/dbraw/zinc/97/76/25/1025977625.db2.gz DJWVSNQOBOHXNA-LJQANCHMSA-N 2 1 376.508 3.593 20 0 GHADMP CCOC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001461051542 1069361606 /nfs/dbraw/zinc/36/16/06/1069361606.db2.gz XIWYEMTTZXOKTH-KDURUIRLSA-N 2 1 387.568 3.875 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3c2CC[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC001163363396 1026159635 /nfs/dbraw/zinc/15/96/35/1026159635.db2.gz QOJZHLZXEYZNBT-WIYYLYMNSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](Nc2ncnc3c2CC[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC001163363396 1026159644 /nfs/dbraw/zinc/15/96/44/1026159644.db2.gz QOJZHLZXEYZNBT-WIYYLYMNSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[NH+]1CC[C@@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC001163363396 1026159649 /nfs/dbraw/zinc/15/96/49/1026159649.db2.gz QOJZHLZXEYZNBT-WIYYLYMNSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[NH+]1CC[C@@H](Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC001163363396 1026159657 /nfs/dbraw/zinc/15/96/57/1026159657.db2.gz QOJZHLZXEYZNBT-WIYYLYMNSA-N 2 1 379.552 3.566 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC[C@@H]([NH3+])c2ccc(C(=O)OC)cc2)nc1 ZINC001163467200 1026205486 /nfs/dbraw/zinc/20/54/86/1026205486.db2.gz QXYPHTAPWMBSEI-RTWAWAEBSA-N 2 1 396.535 3.917 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)C[C@@H](C)O1 ZINC001139380233 1026248414 /nfs/dbraw/zinc/24/84/14/1026248414.db2.gz JDUOCVHWGURULR-KCZVDYSFSA-N 2 1 386.584 3.536 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)C[C@@H](C)O1 ZINC001139380233 1026248430 /nfs/dbraw/zinc/24/84/30/1026248430.db2.gz JDUOCVHWGURULR-KCZVDYSFSA-N 2 1 386.584 3.536 20 0 GHADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)[C@H](c2ccccc2)C1 ZINC001202937804 1026338830 /nfs/dbraw/zinc/33/88/30/1026338830.db2.gz BLFXFYVVMCPJSX-SJORKVTESA-N 2 1 392.469 3.673 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)[C@H](c2ccccc2)C1 ZINC001202937804 1026338845 /nfs/dbraw/zinc/33/88/45/1026338845.db2.gz BLFXFYVVMCPJSX-SJORKVTESA-N 2 1 392.469 3.673 20 0 GHADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513194 1026367740 /nfs/dbraw/zinc/36/77/40/1026367740.db2.gz OJTWBIZCAPZJOE-XMMPIXPASA-N 2 1 393.575 3.744 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@@H]4OCC[C@H]4C3)CC2)cc1 ZINC001139513423 1026367905 /nfs/dbraw/zinc/36/79/05/1026367905.db2.gz SVGKTBBPEXOTQJ-ZCYQVOJMSA-N 2 1 391.559 3.620 20 0 GHADMP O=C1N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)[C@@H](c2ccccc2)C12CCCC2 ZINC000839998087 1026401799 /nfs/dbraw/zinc/40/17/99/1026401799.db2.gz FVIDROCDOJQPNO-QFIPXVFZSA-N 2 1 381.564 3.896 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cccc(Cl)n1)CC2 ZINC001139549250 1026413790 /nfs/dbraw/zinc/41/37/90/1026413790.db2.gz HWLPRGFISPHBPO-KRWDZBQOSA-N 2 1 375.900 3.584 20 0 GHADMP CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1CC ZINC001139624063 1026491171 /nfs/dbraw/zinc/49/11/71/1026491171.db2.gz GUGGKEPPURNWPE-PKTZIBPZSA-N 2 1 379.548 3.997 20 0 GHADMP CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1CC ZINC001139624063 1026491174 /nfs/dbraw/zinc/49/11/74/1026491174.db2.gz GUGGKEPPURNWPE-PKTZIBPZSA-N 2 1 379.548 3.997 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1CC ZINC001139624063 1026491177 /nfs/dbraw/zinc/49/11/77/1026491177.db2.gz GUGGKEPPURNWPE-PKTZIBPZSA-N 2 1 379.548 3.997 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1CC ZINC001139624063 1026491185 /nfs/dbraw/zinc/49/11/85/1026491185.db2.gz GUGGKEPPURNWPE-PKTZIBPZSA-N 2 1 379.548 3.997 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](C[NH3+])CC[C@H]2C)n1 ZINC001164475389 1026520967 /nfs/dbraw/zinc/52/09/67/1026520967.db2.gz ZOVUSDHOQHFKRW-CZUORRHYSA-N 2 1 375.586 3.714 20 0 GHADMP C[C@H]1CC[C@H](C[NH3+])CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164474909 1026521003 /nfs/dbraw/zinc/52/10/03/1026521003.db2.gz WUUKEWGTCDXQEG-JKSUJKDBSA-N 2 1 399.608 3.730 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001139712366 1026556365 /nfs/dbraw/zinc/55/63/65/1026556365.db2.gz GRAYGYSETVUUDB-UHFFFAOYSA-N 2 1 380.532 3.876 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001139721956 1026564410 /nfs/dbraw/zinc/56/44/10/1026564410.db2.gz OJGQSNBHBPSQMH-PMACEKPBSA-N 2 1 389.499 3.518 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735323 1026577157 /nfs/dbraw/zinc/57/71/57/1026577157.db2.gz XEWQQSSBNDYNMN-YZGWKJHDSA-N 2 1 399.560 3.647 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccccc2C(F)F)CC1 ZINC001139798590 1026621743 /nfs/dbraw/zinc/62/17/43/1026621743.db2.gz TXBRLWXWPDVLPD-WOJBJXKFSA-N 2 1 391.506 3.531 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3c[nH]c4cccc(Br)c34)CC2)cc[nH+]1 ZINC001139968541 1026770254 /nfs/dbraw/zinc/77/02/54/1026770254.db2.gz PNXHKFVOEKJPHQ-UHFFFAOYSA-N 2 1 385.309 3.956 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC001461154111 1069415765 /nfs/dbraw/zinc/41/57/65/1069415765.db2.gz IAAJPRNQFPKRDL-FQEVSTJZSA-N 2 1 390.531 3.740 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001461154427 1069416059 /nfs/dbraw/zinc/41/60/59/1069416059.db2.gz YMNJVDILHREXNB-IEZKXTBUSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001461154427 1069416065 /nfs/dbraw/zinc/41/60/65/1069416065.db2.gz YMNJVDILHREXNB-IEZKXTBUSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001461154427 1069416072 /nfs/dbraw/zinc/41/60/72/1069416072.db2.gz YMNJVDILHREXNB-IEZKXTBUSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001461154427 1069416085 /nfs/dbraw/zinc/41/60/85/1069416085.db2.gz YMNJVDILHREXNB-IEZKXTBUSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001461154427 1069416090 /nfs/dbraw/zinc/41/60/90/1069416090.db2.gz YMNJVDILHREXNB-IEZKXTBUSA-N 2 1 377.576 3.661 20 0 GHADMP COc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)ccc1C ZINC001140157352 1026930132 /nfs/dbraw/zinc/93/01/32/1026930132.db2.gz AGABBXAWMIZKEF-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140180723 1026953537 /nfs/dbraw/zinc/95/35/37/1026953537.db2.gz PQJYTGICPHINSE-HDICACEKSA-N 2 1 386.337 3.895 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140180723 1026953539 /nfs/dbraw/zinc/95/35/39/1026953539.db2.gz PQJYTGICPHINSE-HDICACEKSA-N 2 1 386.337 3.895 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140180723 1026953542 /nfs/dbraw/zinc/95/35/42/1026953542.db2.gz PQJYTGICPHINSE-HDICACEKSA-N 2 1 386.337 3.895 20 0 GHADMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c2cccnc21 ZINC001209743547 1027134569 /nfs/dbraw/zinc/13/45/69/1027134569.db2.gz DRXXFYYIDSPEGB-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cnc3ccccn13)CC2 ZINC001203149427 1027217680 /nfs/dbraw/zinc/21/76/80/1027217680.db2.gz ZIJKVGSYRDFVMV-OAQYLSRUSA-N 2 1 390.531 3.590 20 0 GHADMP C[N@@H+]1Cc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cccc2[C@H](c2ccccc2)C1 ZINC001210267738 1027414936 /nfs/dbraw/zinc/41/49/36/1027414936.db2.gz MKJRAIZDZBEKLH-QFIPXVFZSA-N 3 1 399.542 3.812 20 0 GHADMP C[N@H+]1Cc2c(Nc3ccnc(N4CC[NH2+]CC4)c3)cccc2[C@H](c2ccccc2)C1 ZINC001210267738 1027414944 /nfs/dbraw/zinc/41/49/44/1027414944.db2.gz MKJRAIZDZBEKLH-QFIPXVFZSA-N 2 1 399.542 3.812 20 0 GHADMP C[N@@H+]1Cc2c(Nc3ccnc(N4CC[NH2+]CC4)c3)cccc2[C@H](c2ccccc2)C1 ZINC001210267738 1027414966 /nfs/dbraw/zinc/41/49/66/1027414966.db2.gz MKJRAIZDZBEKLH-QFIPXVFZSA-N 2 1 399.542 3.812 20 0 GHADMP Cc1ccc(C)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001203746152 1027568390 /nfs/dbraw/zinc/56/83/90/1027568390.db2.gz CQCONSWATDCPSS-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203784492 1027602901 /nfs/dbraw/zinc/60/29/01/1027602901.db2.gz DGVUCKUOUBLVHE-QFIPXVFZSA-N 2 1 390.543 3.555 20 0 GHADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC001141971008 1027774006 /nfs/dbraw/zinc/77/40/06/1027774006.db2.gz QLUNAMKXEFPEML-UHFFFAOYSA-N 2 1 399.560 3.652 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c(OC)ccc4ccccc43)CC2)C1 ZINC001203991240 1027789410 /nfs/dbraw/zinc/78/94/10/1027789410.db2.gz OBNNUMISMCFOCK-LJQANCHMSA-N 2 1 396.531 3.698 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052064 1027839859 /nfs/dbraw/zinc/83/98/59/1027839859.db2.gz DPBQOLALOSXORP-SESVDKBCSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052064 1027839879 /nfs/dbraw/zinc/83/98/79/1027839879.db2.gz DPBQOLALOSXORP-SESVDKBCSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052064 1027839901 /nfs/dbraw/zinc/83/99/01/1027839901.db2.gz DPBQOLALOSXORP-SESVDKBCSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052064 1027839916 /nfs/dbraw/zinc/83/99/16/1027839916.db2.gz DPBQOLALOSXORP-SESVDKBCSA-N 2 1 379.504 3.543 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052064 1027839937 /nfs/dbraw/zinc/83/99/37/1027839937.db2.gz DPBQOLALOSXORP-SESVDKBCSA-N 2 1 379.504 3.543 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052064 1027839955 /nfs/dbraw/zinc/83/99/55/1027839955.db2.gz DPBQOLALOSXORP-SESVDKBCSA-N 2 1 379.504 3.543 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204116547 1027889072 /nfs/dbraw/zinc/88/90/72/1027889072.db2.gz QCWUXINVORKMIO-TYPHKJRUSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204116547 1027889093 /nfs/dbraw/zinc/88/90/93/1027889093.db2.gz QCWUXINVORKMIO-TYPHKJRUSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204116547 1027889103 /nfs/dbraw/zinc/88/91/03/1027889103.db2.gz QCWUXINVORKMIO-TYPHKJRUSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204116547 1027889117 /nfs/dbraw/zinc/88/91/17/1027889117.db2.gz QCWUXINVORKMIO-TYPHKJRUSA-N 2 1 381.520 3.528 20 0 GHADMP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC001142026749 1027913940 /nfs/dbraw/zinc/91/39/40/1027913940.db2.gz JEEDEIPRZHURHD-HXUWFJFHSA-N 2 1 389.559 3.618 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC001461430361 1069546348 /nfs/dbraw/zinc/54/63/48/1069546348.db2.gz LNADDXWWIRGSON-MRXNPFEDSA-N 2 1 396.865 3.798 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC001461430361 1069546354 /nfs/dbraw/zinc/54/63/54/1069546354.db2.gz LNADDXWWIRGSON-MRXNPFEDSA-N 2 1 396.865 3.798 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c(Cl)c1Cl ZINC001276720974 1029149345 /nfs/dbraw/zinc/14/93/45/1029149345.db2.gz XYVQKLFRJOHCRO-HXUWFJFHSA-N 2 1 398.378 3.820 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCc2ccccc21 ZINC000842677643 1029484618 /nfs/dbraw/zinc/48/46/18/1029484618.db2.gz VBVZXFJDAJNDGM-DHLKQENFSA-N 2 1 376.544 3.997 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCc2ccccc21 ZINC000842677643 1029484625 /nfs/dbraw/zinc/48/46/25/1029484625.db2.gz VBVZXFJDAJNDGM-DHLKQENFSA-N 2 1 376.544 3.997 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccn3ccnc13)CC2 ZINC001142952522 1029728580 /nfs/dbraw/zinc/72/85/80/1029728580.db2.gz VSOXFNSRQKYRKS-IBGZPJMESA-N 2 1 396.560 3.651 20 0 GHADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000843056561 1029790380 /nfs/dbraw/zinc/79/03/80/1029790380.db2.gz QTIWMMJFRIAASB-UHFFFAOYSA-N 2 1 397.350 3.817 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccccc1C(F)(F)F ZINC001143145393 1029868389 /nfs/dbraw/zinc/86/83/89/1029868389.db2.gz JWJKSKAMCVKRNK-JYBLJSLWSA-N 2 1 397.485 3.593 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001143158059 1029873428 /nfs/dbraw/zinc/87/34/28/1029873428.db2.gz UKYFQIXZJQEPFT-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(-c2cc(F)ccc2F)n1 ZINC001461589550 1069626107 /nfs/dbraw/zinc/62/61/07/1069626107.db2.gz DZPYQCQVIHATAI-UTKZUKDTSA-N 2 1 396.485 3.800 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364853 1029942394 /nfs/dbraw/zinc/94/23/94/1029942394.db2.gz ZTRZDDMYUXFBBU-SFHVURJKSA-N 2 1 379.504 3.881 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126938 1029972581 /nfs/dbraw/zinc/97/25/81/1029972581.db2.gz HZRRCUWCPOYMTO-FGZHOGPDSA-N 2 1 386.584 3.633 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cccc(Oc3ccccc3)c1)CC[NH2+]CC2 ZINC001222221088 1030014430 /nfs/dbraw/zinc/01/44/30/1030014430.db2.gz JSYCOKABYJORIR-QFIPXVFZSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cccc(Oc3ccccc3)c1)CC[NH2+]CC2 ZINC001222221088 1030014446 /nfs/dbraw/zinc/01/44/46/1030014446.db2.gz JSYCOKABYJORIR-QFIPXVFZSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cccc(Oc3ccccc3)c1)CC[NH2+]CC2 ZINC001222221086 1030014689 /nfs/dbraw/zinc/01/46/89/1030014689.db2.gz JSYCOKABYJORIR-JOCHJYFZSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cccc(Oc3ccccc3)c1)CC[NH2+]CC2 ZINC001222221086 1030014711 /nfs/dbraw/zinc/01/47/11/1030014711.db2.gz JSYCOKABYJORIR-JOCHJYFZSA-N 2 1 394.515 3.986 20 0 GHADMP CCCCCOc1ccc(C[N@@H+]2CC3(C[C@H]2C(=O)OCC)CC[NH2+]CC3)cc1 ZINC001222221605 1030015127 /nfs/dbraw/zinc/01/51/27/1030015127.db2.gz OIYMDRYTKGMSQF-NRFANRHFSA-N 2 1 388.552 3.763 20 0 GHADMP CCCCCOc1ccc(C[N@H+]2CC3(C[C@H]2C(=O)OCC)CC[NH2+]CC3)cc1 ZINC001222221605 1030015147 /nfs/dbraw/zinc/01/51/47/1030015147.db2.gz OIYMDRYTKGMSQF-NRFANRHFSA-N 2 1 388.552 3.763 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3ccccc3)cc1)CC[NH2+]CC2 ZINC001222222068 1030016609 /nfs/dbraw/zinc/01/66/09/1030016609.db2.gz WUXHSQDOGABDCK-QFIPXVFZSA-N 2 1 378.516 3.861 20 0 GHADMP COc1ccc(-c2ncc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)s2)cc1OC ZINC001222272043 1030042374 /nfs/dbraw/zinc/04/23/74/1030042374.db2.gz LVXOIIUYNZVBHG-NRFANRHFSA-N 2 1 387.549 3.793 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)s2)cc1OC ZINC001222272043 1030042395 /nfs/dbraw/zinc/04/23/95/1030042395.db2.gz LVXOIIUYNZVBHG-NRFANRHFSA-N 2 1 387.549 3.793 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001222562603 1030199526 /nfs/dbraw/zinc/19/95/26/1030199526.db2.gz YNDYMHFFDJVJGU-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001222590093 1030213202 /nfs/dbraw/zinc/21/32/02/1030213202.db2.gz DVMXVFKSEAKKLJ-DEOSSOPVSA-N 3 1 391.559 3.593 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)N2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001222590093 1030213214 /nfs/dbraw/zinc/21/32/14/1030213214.db2.gz DVMXVFKSEAKKLJ-DEOSSOPVSA-N 2 1 391.559 3.593 20 0 GHADMP c1c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cc[nH+]cc12 ZINC001222590494 1030215407 /nfs/dbraw/zinc/21/54/07/1030215407.db2.gz IIPVKJIXVSHIBF-JOCHJYFZSA-N 3 1 390.531 3.866 20 0 GHADMP c1c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cc[nH+]cc12 ZINC001222590494 1030215421 /nfs/dbraw/zinc/21/54/21/1030215421.db2.gz IIPVKJIXVSHIBF-JOCHJYFZSA-N 3 1 390.531 3.866 20 0 GHADMP c1cc2n(c1C[N@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)CCC2 ZINC001222596232 1030221533 /nfs/dbraw/zinc/22/15/33/1030221533.db2.gz SPKNVUKVFZUPCL-HSZRJFAPSA-N 2 1 379.548 3.738 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001222613460 1030238064 /nfs/dbraw/zinc/23/80/64/1030238064.db2.gz STCHXFQCXRTYJZ-FCHUYYIVSA-N 2 1 390.616 3.595 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222613460 1030238077 /nfs/dbraw/zinc/23/80/77/1030238077.db2.gz STCHXFQCXRTYJZ-FCHUYYIVSA-N 2 1 390.616 3.595 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222613460 1030238095 /nfs/dbraw/zinc/23/80/95/1030238095.db2.gz STCHXFQCXRTYJZ-FCHUYYIVSA-N 2 1 390.616 3.595 20 0 GHADMP FC(F)(F)Oc1cccc(Br)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629129 1030250434 /nfs/dbraw/zinc/25/04/34/1030250434.db2.gz ALBNPBAUJWQVNP-TXEJJXNPSA-N 2 1 393.247 3.779 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001222651908 1030261223 /nfs/dbraw/zinc/26/12/23/1030261223.db2.gz UCISZYSWAHCBFU-SFHVURJKSA-N 2 1 378.442 3.687 20 0 GHADMP CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC001222652575 1030262656 /nfs/dbraw/zinc/26/26/56/1030262656.db2.gz XZAXTZLYOJVRTC-VQTJNVASSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC001222667461 1030270046 /nfs/dbraw/zinc/27/00/46/1030270046.db2.gz RKYIAPXARUPTSC-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC001222667461 1030270063 /nfs/dbraw/zinc/27/00/63/1030270063.db2.gz RKYIAPXARUPTSC-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC001222667461 1030270082 /nfs/dbraw/zinc/27/00/82/1030270082.db2.gz RKYIAPXARUPTSC-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccccc1Cl ZINC001223453185 1030580440 /nfs/dbraw/zinc/58/04/40/1030580440.db2.gz IKBVZJUWOVLCLT-APWZRJJASA-N 2 1 382.980 3.751 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCO[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001217850550 1030661532 /nfs/dbraw/zinc/66/15/32/1030661532.db2.gz UFAQGEAYNRCFAD-PMACEKPBSA-N 2 1 390.568 3.753 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCO[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001217850550 1030661539 /nfs/dbraw/zinc/66/15/39/1030661539.db2.gz UFAQGEAYNRCFAD-PMACEKPBSA-N 2 1 390.568 3.753 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2Cc2cc(-c3ccsc3)cs2)C1=O ZINC001276907008 1030673441 /nfs/dbraw/zinc/67/34/41/1030673441.db2.gz QEZLHTIAUZSGSQ-HXUWFJFHSA-N 2 1 389.590 3.605 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2C[NH2+]CCC[C@@H]2F)c1-3 ZINC001217982104 1030704804 /nfs/dbraw/zinc/70/48/04/1030704804.db2.gz RVAHQIUKYVCMOM-NSHGMRRFSA-N 2 1 382.479 3.613 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccn2ccnc2c1 ZINC001223748411 1030736476 /nfs/dbraw/zinc/73/64/76/1030736476.db2.gz MHVINAVCMUSRPK-IPMKNSEASA-N 2 1 391.519 3.527 20 0 GHADMP C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccn2ccnc2c1 ZINC001223748411 1030736481 /nfs/dbraw/zinc/73/64/81/1030736481.db2.gz MHVINAVCMUSRPK-IPMKNSEASA-N 2 1 391.519 3.527 20 0 GHADMP CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001223829808 1030771881 /nfs/dbraw/zinc/77/18/81/1030771881.db2.gz IYWSXBKTGIHJGJ-TZIWHRDSSA-N 2 1 388.600 3.783 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1N1CC[NH2+]CC1 ZINC001218249705 1030851903 /nfs/dbraw/zinc/85/19/03/1030851903.db2.gz YYDDNNFBCCCDST-QHCPKHFHSA-N 2 1 379.548 3.776 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(O[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC001218390540 1030916255 /nfs/dbraw/zinc/91/62/55/1030916255.db2.gz LSYLQMRQZHZEAL-QHCPKHFHSA-N 2 1 397.538 3.792 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC001218390540 1030916259 /nfs/dbraw/zinc/91/62/59/1030916259.db2.gz LSYLQMRQZHZEAL-QHCPKHFHSA-N 3 1 397.538 3.792 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC001218390540 1030916265 /nfs/dbraw/zinc/91/62/65/1030916265.db2.gz LSYLQMRQZHZEAL-QHCPKHFHSA-N 3 1 397.538 3.792 20 0 GHADMP [NH3+][C@H](Cc1ccccc1F)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218846867 1031111734 /nfs/dbraw/zinc/11/17/34/1031111734.db2.gz BFDLFDKLEKCIGP-HSZRJFAPSA-N 2 1 389.474 3.850 20 0 GHADMP [NH3+][C@H](Cc1ccccc1F)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218846867 1031111742 /nfs/dbraw/zinc/11/17/42/1031111742.db2.gz BFDLFDKLEKCIGP-HSZRJFAPSA-N 2 1 389.474 3.850 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)c1 ZINC001218884682 1031132185 /nfs/dbraw/zinc/13/21/85/1031132185.db2.gz YGWVKKDWOGWUQN-QFIPXVFZSA-N 2 1 388.515 3.736 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CO[C@H]3COCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224827466 1031139289 /nfs/dbraw/zinc/13/92/89/1031139289.db2.gz VIGXTNAMABNZDM-JWQCQUIFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](CO[C@H]3COCC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001224827466 1031139297 /nfs/dbraw/zinc/13/92/97/1031139297.db2.gz VIGXTNAMABNZDM-JWQCQUIFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CO[C@H]3COCC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001224827466 1031139304 /nfs/dbraw/zinc/13/93/04/1031139304.db2.gz VIGXTNAMABNZDM-JWQCQUIFSA-N 2 1 394.559 3.816 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C3CCC4(C[NH2+]C4)CC3)cccc2[C@H](c2ccccc2)C1 ZINC001219046359 1031228256 /nfs/dbraw/zinc/22/82/56/1031228256.db2.gz BIJMMPRMORAXBI-NRFANRHFSA-N 2 1 389.543 3.982 20 0 GHADMP O=C(NCc1ccc2c(c1)CC[NH2+]C2)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001219709889 1031569597 /nfs/dbraw/zinc/56/95/97/1031569597.db2.gz SCPYERAGCZEDKC-UHFFFAOYSA-N 2 1 397.522 3.778 20 0 GHADMP O=C(NCc1ccc2c(c1)CC[NH2+]C2)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001219709889 1031569604 /nfs/dbraw/zinc/56/96/04/1031569604.db2.gz SCPYERAGCZEDKC-UHFFFAOYSA-N 2 1 397.522 3.778 20 0 GHADMP CCN(C(=O)Nc1ccnc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001219713324 1031573377 /nfs/dbraw/zinc/57/33/77/1031573377.db2.gz OIKNDWUUNPAVKG-PGRDOPGGSA-N 2 1 395.551 3.833 20 0 GHADMP CCN(C(=O)Nc1ccnc(C[NH+](C)C)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001219713324 1031573392 /nfs/dbraw/zinc/57/33/92/1031573392.db2.gz OIKNDWUUNPAVKG-PGRDOPGGSA-N 2 1 395.551 3.833 20 0 GHADMP C=Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001219730913 1031582429 /nfs/dbraw/zinc/58/24/29/1031582429.db2.gz CXBUNKXUVQWBFK-HSZRJFAPSA-N 2 1 389.543 3.561 20 0 GHADMP CC[C@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001153911927 1031810005 /nfs/dbraw/zinc/81/00/05/1031810005.db2.gz WZYDSISRPZAOBK-XZOQPEGZSA-N 2 1 379.548 3.802 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(-c4ccc(N5CC[NH2+]CC5)cc4)ccc3C2)cc1 ZINC001205372650 1033381940 /nfs/dbraw/zinc/38/19/40/1033381940.db2.gz VXZDGZKZWWPAJC-UHFFFAOYSA-N 2 1 384.527 3.717 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001205377342 1033384330 /nfs/dbraw/zinc/38/43/30/1033384330.db2.gz HRKZVUYBHBAIAY-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229302589 1033402889 /nfs/dbraw/zinc/40/28/89/1033402889.db2.gz KNSLWPWMNRQAGX-GHTZIAJQSA-N 2 1 381.520 3.820 20 0 GHADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229302589 1033402902 /nfs/dbraw/zinc/40/29/02/1033402902.db2.gz KNSLWPWMNRQAGX-GHTZIAJQSA-N 2 1 381.520 3.820 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)c2n1 ZINC001205580129 1033477840 /nfs/dbraw/zinc/47/78/40/1033477840.db2.gz QHSNVJDSAJVDJP-SFHVURJKSA-N 2 1 396.304 3.659 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[C@H](C3)CCC[N@H+]4C)c2c1C ZINC001157273053 1033504638 /nfs/dbraw/zinc/50/46/38/1033504638.db2.gz VCOUGWAKADDURK-ROUUACIJSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c2c1C ZINC001157273053 1033504641 /nfs/dbraw/zinc/50/46/41/1033504641.db2.gz VCOUGWAKADDURK-ROUUACIJSA-N 2 1 399.608 3.824 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205637647 1033505606 /nfs/dbraw/zinc/50/56/06/1033505606.db2.gz ICLKROZCBPWXFS-KBPBESRZSA-N 2 1 377.916 3.805 20 0 GHADMP c1ccc(C[N@H+]2CCc3c(ccnc3-c3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001205894366 1033624274 /nfs/dbraw/zinc/62/42/74/1033624274.db2.gz IFZWVQRRCFTBCR-UHFFFAOYSA-N 2 1 384.527 3.717 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001206023262 1033691210 /nfs/dbraw/zinc/69/12/10/1033691210.db2.gz FDGRTRYBZBWMGP-GJZGRUSLSA-N 2 1 386.321 3.715 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CCC[C@@H]1C[NH3+] ZINC001206035708 1033696932 /nfs/dbraw/zinc/69/69/32/1033696932.db2.gz CTSKLBAUWNZCGZ-YLJYHZDGSA-N 2 1 382.504 3.801 20 0 GHADMP Cc1nc2c(c(O[C@H]3CC[C@H]([NH+](C)C)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229846398 1033748621 /nfs/dbraw/zinc/74/86/21/1033748621.db2.gz LWFNQVLJMDPTCX-MXVIHJGJSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(O[C@H]3CC[C@H]([NH+](C)C)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229846398 1033748635 /nfs/dbraw/zinc/74/86/35/1033748635.db2.gz LWFNQVLJMDPTCX-MXVIHJGJSA-N 2 1 380.536 3.595 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001229931909 1033798263 /nfs/dbraw/zinc/79/82/63/1033798263.db2.gz XFWYHLDVFUWMHK-QRFRQXIXSA-N 2 1 394.991 3.547 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001229931909 1033798278 /nfs/dbraw/zinc/79/82/78/1033798278.db2.gz XFWYHLDVFUWMHK-QRFRQXIXSA-N 2 1 394.991 3.547 20 0 GHADMP CC(C)[N@H+](Cc1sc(Br)c2c1OCCO2)[C@H]1CCC[NH2+]CC1 ZINC001206599069 1033919337 /nfs/dbraw/zinc/91/93/37/1033919337.db2.gz NDNZKYVBRRRNDE-LBPRGKRZSA-N 2 1 389.359 3.634 20 0 GHADMP CC(C)[N@@H+](Cc1sc(Br)c2c1OCCO2)[C@H]1CCC[NH2+]CC1 ZINC001206599069 1033919339 /nfs/dbraw/zinc/91/93/39/1033919339.db2.gz NDNZKYVBRRRNDE-LBPRGKRZSA-N 2 1 389.359 3.634 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(Cl)cnc2Br)CC1 ZINC001206755802 1033970108 /nfs/dbraw/zinc/97/01/08/1033970108.db2.gz QWLMIFAHUWCDNN-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)o2)cc1 ZINC001206828076 1034010336 /nfs/dbraw/zinc/01/03/36/1034010336.db2.gz UBDPRGXAJYMHLZ-GOSISDBHSA-N 2 1 382.504 3.945 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)o2)cc1 ZINC001206828076 1034010354 /nfs/dbraw/zinc/01/03/54/1034010354.db2.gz UBDPRGXAJYMHLZ-GOSISDBHSA-N 2 1 382.504 3.945 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2[nH+]cc3ccccn32)cc1 ZINC001207055448 1034074391 /nfs/dbraw/zinc/07/43/91/1034074391.db2.gz XMOWPFRMACHXNM-OAQYLSRUSA-N 2 1 378.520 3.829 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2[nH+]cc3ccccn32)cc1 ZINC001207055448 1034074394 /nfs/dbraw/zinc/07/43/94/1034074394.db2.gz XMOWPFRMACHXNM-OAQYLSRUSA-N 2 1 378.520 3.829 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC001230464954 1034075270 /nfs/dbraw/zinc/07/52/70/1034075270.db2.gz KGGLZZQADYTWPR-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC001230464954 1034075283 /nfs/dbraw/zinc/07/52/83/1034075283.db2.gz KGGLZZQADYTWPR-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001230464954 1034075293 /nfs/dbraw/zinc/07/52/93/1034075293.db2.gz KGGLZZQADYTWPR-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001207287646 1034238416 /nfs/dbraw/zinc/23/84/16/1034238416.db2.gz VLLZTBLTVDMSDE-NRFANRHFSA-N 2 1 396.575 3.833 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1=O ZINC001207290375 1034240231 /nfs/dbraw/zinc/24/02/31/1034240231.db2.gz AUIHRMUEWXEESA-VWLOTQADSA-N 2 1 389.543 3.519 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207289310 1034240292 /nfs/dbraw/zinc/24/02/92/1034240292.db2.gz KKLZRDNOSOKRJE-VXKWHMMOSA-N 2 1 399.579 3.840 20 0 GHADMP O=C([C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001207291348 1034242211 /nfs/dbraw/zinc/24/22/11/1034242211.db2.gz OCEAUEHOQNWTAT-HSZRJFAPSA-N 2 1 383.580 3.623 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[N@H+]2CC2CC[NH+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001207291837 1034243582 /nfs/dbraw/zinc/24/35/82/1034243582.db2.gz XORYEBURUQEJMY-FCHUYYIVSA-N 2 1 395.572 3.840 20 0 GHADMP FC1(F)CCC(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001207348244 1034295760 /nfs/dbraw/zinc/29/57/60/1034295760.db2.gz ZHRXBVCTJDZXKH-HKBOAZHASA-N 2 1 392.538 3.883 20 0 GHADMP FC1(F)CCC(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001207348244 1034295765 /nfs/dbraw/zinc/29/57/65/1034295765.db2.gz ZHRXBVCTJDZXKH-HKBOAZHASA-N 2 1 392.538 3.883 20 0 GHADMP FC1(F)CCC(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CC1 ZINC001207348244 1034295775 /nfs/dbraw/zinc/29/57/75/1034295775.db2.gz ZHRXBVCTJDZXKH-HKBOAZHASA-N 2 1 392.538 3.883 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](C[C@H]1CC=C(CCCC(C)(C)O)CC1)CC2 ZINC001207406096 1034345065 /nfs/dbraw/zinc/34/50/65/1034345065.db2.gz NIRKAIBSAGFBEW-IBGZPJMESA-N 2 1 377.573 3.784 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CC2)[NH2+]CCc2ccccc23)n1 ZINC001159020367 1034385292 /nfs/dbraw/zinc/38/52/92/1034385292.db2.gz SSTUIWNKRRKKGI-UHFFFAOYSA-N 2 1 396.966 3.972 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001207482376 1034391756 /nfs/dbraw/zinc/39/17/56/1034391756.db2.gz VNRBNSZJADAPDT-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N(C)C(C)(C)C[NH3+])c23)C1 ZINC001159060079 1034406500 /nfs/dbraw/zinc/40/65/00/1034406500.db2.gz KKPUGNLHWJWYCJ-CQSZACIVSA-N 2 1 387.597 3.585 20 0 GHADMP CC(C)c1ccc(CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001207521283 1034426460 /nfs/dbraw/zinc/42/64/60/1034426460.db2.gz RDFVYZSOONNFOJ-SGNDLWITSA-N 2 1 395.595 3.817 20 0 GHADMP CC(C)c1ccc(CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001207521283 1034426467 /nfs/dbraw/zinc/42/64/67/1034426467.db2.gz RDFVYZSOONNFOJ-SGNDLWITSA-N 2 1 395.595 3.817 20 0 GHADMP CC(C)c1ccc(CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001207521283 1034426472 /nfs/dbraw/zinc/42/64/72/1034426472.db2.gz RDFVYZSOONNFOJ-SGNDLWITSA-N 2 1 395.595 3.817 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](CCCC4CCCCC4)C3)O2)CC1 ZINC001207608450 1034485576 /nfs/dbraw/zinc/48/55/76/1034485576.db2.gz UJSKWWOKDDYSPX-DHIUTWEWSA-N 2 1 377.617 3.608 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](CCCC4CCCCC4)C3)O2)CC1 ZINC001207608450 1034485585 /nfs/dbraw/zinc/48/55/85/1034485585.db2.gz UJSKWWOKDDYSPX-DHIUTWEWSA-N 2 1 377.617 3.608 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](CCCC4CCCCC4)C3)O2)CC1 ZINC001207608450 1034485594 /nfs/dbraw/zinc/48/55/94/1034485594.db2.gz UJSKWWOKDDYSPX-DHIUTWEWSA-N 2 1 377.617 3.608 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620304 1034491982 /nfs/dbraw/zinc/49/19/82/1034491982.db2.gz LYFUWIIMSGPDEW-KGSLCBSSSA-N 2 1 381.564 3.597 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1Cl ZINC001231421040 1034570770 /nfs/dbraw/zinc/57/07/70/1034570770.db2.gz DWUWENMQAVSTTA-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1Cl ZINC001231421040 1034570776 /nfs/dbraw/zinc/57/07/76/1034570776.db2.gz DWUWENMQAVSTTA-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1Cl ZINC001231421040 1034570786 /nfs/dbraw/zinc/57/07/86/1034570786.db2.gz DWUWENMQAVSTTA-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1Cl ZINC001231421040 1034570800 /nfs/dbraw/zinc/57/08/00/1034570800.db2.gz DWUWENMQAVSTTA-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207783884 1034575356 /nfs/dbraw/zinc/57/53/56/1034575356.db2.gz SVSSHUUKPJEJTE-YXTQBTIXSA-N 2 1 379.589 3.686 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](C)Cc1ccc(C(C)C)cc1)CC2 ZINC001207939773 1034669583 /nfs/dbraw/zinc/66/95/83/1034669583.db2.gz KITHXQLXUZROLR-HXUWFJFHSA-N 2 1 385.596 3.665 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](C)Cc1ccc(C(C)C)cc1)CC2 ZINC001207939773 1034669593 /nfs/dbraw/zinc/66/95/93/1034669593.db2.gz KITHXQLXUZROLR-HXUWFJFHSA-N 2 1 385.596 3.665 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001231653452 1034811045 /nfs/dbraw/zinc/81/10/45/1034811045.db2.gz RNKFLPQUBWSDHE-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP C(Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)[C@@H]1CCCC[NH2+]1 ZINC001160150485 1034880120 /nfs/dbraw/zinc/88/01/20/1034880120.db2.gz JGWPUDDHUXUGBI-HNNXBMFYSA-N 2 1 385.581 3.720 20 0 GHADMP Fc1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1OCC1CC[NH2+]CC1 ZINC001160188979 1034896161 /nfs/dbraw/zinc/89/61/61/1034896161.db2.gz DBMOBFOJFTZSGE-UHFFFAOYSA-N 2 1 399.510 3.780 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(C[C@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208585579 1034942788 /nfs/dbraw/zinc/94/27/88/1034942788.db2.gz MFLKKQBRACHFKZ-RPBOFIJWSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN(C[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208585579 1034942790 /nfs/dbraw/zinc/94/27/90/1034942790.db2.gz MFLKKQBRACHFKZ-RPBOFIJWSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208585579 1034942792 /nfs/dbraw/zinc/94/27/92/1034942792.db2.gz MFLKKQBRACHFKZ-RPBOFIJWSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208626314 1034959109 /nfs/dbraw/zinc/95/91/09/1034959109.db2.gz KNMCFMCIGOXHKL-XMMPIXPASA-N 2 1 399.579 3.841 20 0 GHADMP COc1cnc(C[NH+]2CCC3(CCC[N@H+](Cc4ccc(C)cc4)C3)CC2)cn1 ZINC001231937047 1034999807 /nfs/dbraw/zinc/99/98/07/1034999807.db2.gz PGYDLPICZYRBIE-UHFFFAOYSA-N 2 1 380.536 3.672 20 0 GHADMP COc1cnc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)cn1 ZINC001231937047 1034999812 /nfs/dbraw/zinc/99/98/12/1034999812.db2.gz PGYDLPICZYRBIE-UHFFFAOYSA-N 2 1 380.536 3.672 20 0 GHADMP Cc1cc(N2CC[NH+](C[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)CC2)cc[nH+]1 ZINC001208765321 1035008241 /nfs/dbraw/zinc/00/82/41/1035008241.db2.gz VIPNNENRSUEHNM-OAQYLSRUSA-N 2 1 396.535 3.778 20 0 GHADMP Fc1ccc(CCC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001208773173 1035012847 /nfs/dbraw/zinc/01/28/47/1035012847.db2.gz MAAGLQUWJRKFIY-UHFFFAOYSA-N 2 1 397.538 3.768 20 0 GHADMP O=C(CC1CC[NH2+]CC1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160679859 1035033164 /nfs/dbraw/zinc/03/31/64/1035033164.db2.gz LKEBWVPBRNZSDD-XMMPIXPASA-N 2 1 391.559 3.679 20 0 GHADMP O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232013402 1035043552 /nfs/dbraw/zinc/04/35/52/1035043552.db2.gz NMVWRRFPJHORLQ-XMMPIXPASA-N 2 1 388.515 3.620 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001160744226 1035053404 /nfs/dbraw/zinc/05/34/04/1035053404.db2.gz YWQIFEBVGQDDLA-JKSUJKDBSA-N 2 1 393.388 3.571 20 0 GHADMP CCOC(=O)c1ccc(CCC[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001208865667 1035067268 /nfs/dbraw/zinc/06/72/68/1035067268.db2.gz IVGHOPLYDRGXPF-NHCUHLMSSA-N 2 1 398.572 3.921 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208935242 1035101792 /nfs/dbraw/zinc/10/17/92/1035101792.db2.gz NHEWHAPCOJGHFX-ZGFBMJKBSA-N 2 1 398.591 3.947 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208935242 1035101796 /nfs/dbraw/zinc/10/17/96/1035101796.db2.gz NHEWHAPCOJGHFX-ZGFBMJKBSA-N 2 1 398.591 3.947 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208935242 1035101801 /nfs/dbraw/zinc/10/18/01/1035101801.db2.gz NHEWHAPCOJGHFX-ZGFBMJKBSA-N 2 1 398.591 3.947 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[C@H]4[C@H]3CC[NH+]4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102289 /nfs/dbraw/zinc/10/22/89/1035102289.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 2 1 390.575 3.642 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102296 /nfs/dbraw/zinc/10/22/96/1035102296.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 2 1 390.575 3.642 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)C2)cc1 ZINC001208935660 1035102299 /nfs/dbraw/zinc/10/22/99/1035102299.db2.gz KXACGNZGOCLATB-DSNGMDLFSA-N 2 1 390.575 3.642 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936217 1035103100 /nfs/dbraw/zinc/10/31/00/1035103100.db2.gz MUESGIVULCHKNA-ISKFKSNPSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936217 1035103103 /nfs/dbraw/zinc/10/31/03/1035103103.db2.gz MUESGIVULCHKNA-ISKFKSNPSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936217 1035103106 /nfs/dbraw/zinc/10/31/06/1035103106.db2.gz MUESGIVULCHKNA-ISKFKSNPSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208940339 1035108443 /nfs/dbraw/zinc/10/84/43/1035108443.db2.gz BNXXSSIEFIHFDZ-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP COC(=O)CCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940599 1035109816 /nfs/dbraw/zinc/10/98/16/1035109816.db2.gz FHECOOXRIXBSTO-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP COC(=O)CCC[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940599 1035109817 /nfs/dbraw/zinc/10/98/17/1035109817.db2.gz FHECOOXRIXBSTO-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP COC(=O)CCC[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940599 1035109821 /nfs/dbraw/zinc/10/98/21/1035109821.db2.gz FHECOOXRIXBSTO-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943890 1035113384 /nfs/dbraw/zinc/11/33/84/1035113384.db2.gz WFNMEPNXTONERI-FDFHNCONSA-N 2 1 381.589 3.634 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943890 1035113390 /nfs/dbraw/zinc/11/33/90/1035113390.db2.gz WFNMEPNXTONERI-FDFHNCONSA-N 2 1 381.589 3.634 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC001232145032 1035123157 /nfs/dbraw/zinc/12/31/57/1035123157.db2.gz SEIBXOIEYIENME-MRXNPFEDSA-N 2 1 379.520 3.719 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC001232145032 1035123161 /nfs/dbraw/zinc/12/31/61/1035123161.db2.gz SEIBXOIEYIENME-MRXNPFEDSA-N 2 1 379.520 3.719 20 0 GHADMP CN(C[C@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1)C(=O)OC(C)(C)C ZINC001232145070 1035123210 /nfs/dbraw/zinc/12/32/10/1035123210.db2.gz UBEYYUPPDUYSFF-QGZVFWFLSA-N 2 1 393.547 3.966 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)c1 ZINC001232150804 1035128756 /nfs/dbraw/zinc/12/87/56/1035128756.db2.gz VHMBWSZPRFXIMY-FYYLOGMGSA-N 2 1 390.543 3.543 20 0 GHADMP CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232151981 1035130815 /nfs/dbraw/zinc/13/08/15/1035130815.db2.gz SFKPVWPOTKRHBW-XMMPIXPASA-N 2 1 399.554 3.610 20 0 GHADMP CC(C)(C)c1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccn1 ZINC001232215777 1035165344 /nfs/dbraw/zinc/16/53/44/1035165344.db2.gz QIEOVLJFZPXBHJ-UHFFFAOYSA-N 2 1 383.536 3.839 20 0 GHADMP CC(C)(C)c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccn1 ZINC001232215777 1035165346 /nfs/dbraw/zinc/16/53/46/1035165346.db2.gz QIEOVLJFZPXBHJ-UHFFFAOYSA-N 2 1 383.536 3.839 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC001209109611 1035177190 /nfs/dbraw/zinc/17/71/90/1035177190.db2.gz HJEDNEFCYIMIIF-WIYYLYMNSA-N 2 1 380.935 3.702 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccc(F)cc3Cl)C2)C1 ZINC001209109611 1035177192 /nfs/dbraw/zinc/17/71/92/1035177192.db2.gz HJEDNEFCYIMIIF-WIYYLYMNSA-N 2 1 380.935 3.702 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC001209109611 1035177197 /nfs/dbraw/zinc/17/71/97/1035177197.db2.gz HJEDNEFCYIMIIF-WIYYLYMNSA-N 2 1 380.935 3.702 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC001209109611 1035177205 /nfs/dbraw/zinc/17/72/05/1035177205.db2.gz HJEDNEFCYIMIIF-WIYYLYMNSA-N 2 1 380.935 3.702 20 0 GHADMP CN(CCC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1)C(=O)OC(C)(C)C ZINC001209138707 1035189894 /nfs/dbraw/zinc/18/98/94/1035189894.db2.gz GSUKHIKLGYWHIW-UHFFFAOYSA-N 2 1 391.556 3.825 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCCc1cccnc1)CC2 ZINC001209172012 1035198506 /nfs/dbraw/zinc/19/85/06/1035198506.db2.gz AAVRCLUTHOKZHH-FQEVSTJZSA-N 2 1 385.577 3.831 20 0 GHADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)C[C@@H]([NH3+])Cc2csc3ccccc23)C1 ZINC001161386898 1035219949 /nfs/dbraw/zinc/21/99/49/1035219949.db2.gz MWVVKLRGMJZAQB-ROUUACIJSA-N 2 1 395.528 3.545 20 0 GHADMP C[C@H]1CC(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383593 1035264354 /nfs/dbraw/zinc/26/43/54/1035264354.db2.gz XHHJYEGBIBGEHZ-TWXAQOBRSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@H]1CC(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)C[C@H](C)O1 ZINC001209383593 1035264360 /nfs/dbraw/zinc/26/43/60/1035264360.db2.gz XHHJYEGBIBGEHZ-TWXAQOBRSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@H]1CC(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)C[C@H](C)O1 ZINC001209383593 1035264367 /nfs/dbraw/zinc/26/43/67/1035264367.db2.gz XHHJYEGBIBGEHZ-TWXAQOBRSA-N 2 1 390.612 3.651 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC001161867960 1035318069 /nfs/dbraw/zinc/31/80/69/1035318069.db2.gz YKTPHOZHNBOXEV-UHFFFAOYSA-N 2 1 381.911 3.785 20 0 GHADMP CC[NH+](CC)Cc1cc(OC)ccc1-c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001241879032 1035737508 /nfs/dbraw/zinc/73/75/08/1035737508.db2.gz DHEZFWKCFIYSAK-UHFFFAOYSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)(C)[C@@]1(CN2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462017556 1069948602 /nfs/dbraw/zinc/94/86/02/1069948602.db2.gz IBNDOQFPGPIZTO-ILBGXUMGSA-N 2 1 399.623 3.721 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccc4nc(C)ccc34)CC2)C1 ZINC001248555982 1035952783 /nfs/dbraw/zinc/95/27/83/1035952783.db2.gz JQIZOYVYRLXOEW-FQEVSTJZSA-N 2 1 395.547 3.783 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4nc(C)ccc34)CC2)C1 ZINC001248555982 1035952793 /nfs/dbraw/zinc/95/27/93/1035952793.db2.gz JQIZOYVYRLXOEW-FQEVSTJZSA-N 2 1 395.547 3.783 20 0 GHADMP Cn1ccc(-c2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)cc2)n1 ZINC001248764421 1036122577 /nfs/dbraw/zinc/12/25/77/1036122577.db2.gz UDVOXBBOPXTNSZ-WOJBJXKFSA-N 2 1 378.545 3.712 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001248895531 1036227428 /nfs/dbraw/zinc/22/74/28/1036227428.db2.gz GTOBUKWIICNGJG-IBGZPJMESA-N 2 1 378.476 3.705 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2cc(C(F)(F)F)cc(Cl)c2F)no1 ZINC001248899285 1036228009 /nfs/dbraw/zinc/22/80/09/1036228009.db2.gz ZOYZIGJPIHLKCA-LBPRGKRZSA-N 2 1 392.784 3.937 20 0 GHADMP Cc1cc(Br)cc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001278378376 1036431508 /nfs/dbraw/zinc/43/15/08/1036431508.db2.gz LHFXQQZJTNBZCN-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001462122566 1070014196 /nfs/dbraw/zinc/01/41/96/1070014196.db2.gz MZBRYKARPDRHGP-ZTCOLXNVSA-N 2 1 393.575 3.954 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001245998143 1037118458 /nfs/dbraw/zinc/11/84/58/1037118458.db2.gz LRJNPOHPNUWAHF-NQIIRXRSSA-N 2 1 380.548 3.588 20 0 GHADMP C[NH2+][C@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246016749 1037136038 /nfs/dbraw/zinc/13/60/38/1037136038.db2.gz UOOUEXOPMQMDST-FCEWJHQRSA-N 2 1 377.315 3.938 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246038026 1037154487 /nfs/dbraw/zinc/15/44/87/1037154487.db2.gz UHMCIFCDPXNZLC-IQFVJIFQSA-N 2 1 388.596 3.659 20 0 GHADMP CC(C)c1ccc(OC[C@H](O)C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001246043331 1037156869 /nfs/dbraw/zinc/15/68/69/1037156869.db2.gz CBMHJDUVWZQVAX-JOCHJYFZSA-N 2 1 394.559 3.687 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246054754 1037168381 /nfs/dbraw/zinc/16/83/81/1037168381.db2.gz POWLQKNABSQJFY-XUVXKRRUSA-N 2 1 378.438 3.773 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068428 1037182990 /nfs/dbraw/zinc/18/29/90/1037182990.db2.gz RYRVRFUAQCGPGH-UFYCRDLUSA-N 2 1 392.584 3.832 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246069608 1037183617 /nfs/dbraw/zinc/18/36/17/1037183617.db2.gz KSKVGBPQBZMREC-PKOBYXMFSA-N 2 1 393.531 3.525 20 0 GHADMP Cc1ccccc1C[N@@H+](C[C@H](O)COCc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246072397 1037188810 /nfs/dbraw/zinc/18/88/10/1037188810.db2.gz ZGWAVTIBYYOZPX-HJOGWXRNSA-N 2 1 382.548 3.645 20 0 GHADMP CC1(N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246130230 1037206405 /nfs/dbraw/zinc/20/64/05/1037206405.db2.gz UNEWRJQZTGGYRJ-JBRSBNLGSA-N 2 1 375.560 3.703 20 0 GHADMP Fc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246136185 1037210461 /nfs/dbraw/zinc/21/04/61/1037210461.db2.gz COZAEQBGDLLAPK-LGVFNWMJSA-N 2 1 393.550 3.845 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246168737 1037222623 /nfs/dbraw/zinc/22/26/23/1037222623.db2.gz GMPDTMQOSATWMY-IRLDBZIGSA-N 2 1 389.559 3.552 20 0 GHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246192008 1037231700 /nfs/dbraw/zinc/23/17/00/1037231700.db2.gz XTCVZSKFUDSQBU-YFJHUXEUSA-N 2 1 377.576 3.992 20 0 GHADMP [NH3+]C1(CN[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001246211436 1037240575 /nfs/dbraw/zinc/24/05/75/1037240575.db2.gz RDMGKROULNVDFI-VDKIKQQVSA-N 2 1 375.560 3.832 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246227709 1037246793 /nfs/dbraw/zinc/24/67/93/1037246793.db2.gz HRGXPNIQBXBATB-NHCUHLMSSA-N 2 1 386.486 3.957 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@H]2CC[NH2+][C@H](c3ccccc3)C2)c2ccccc12 ZINC001246246318 1037252035 /nfs/dbraw/zinc/25/20/35/1037252035.db2.gz SVVKXFZZVYEYIS-ZCVJKFOLSA-N 2 1 391.515 3.740 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246275468 1037270743 /nfs/dbraw/zinc/27/07/43/1037270743.db2.gz UVSQNYBCZUFBAD-JVSAHFFESA-N 2 1 385.596 3.945 20 0 GHADMP COc1cc(NC(=O)[C@H](CC(C)C)[NH2+]C2C[C@@H]3C=C[C@H](C2)[NH2+]3)cc2ccccc21 ZINC001246283201 1037274706 /nfs/dbraw/zinc/27/47/06/1037274706.db2.gz ACCDZWJIYGCEOE-LECXIGBMSA-N 2 1 393.531 3.850 20 0 GHADMP [NH3+][C@@H](Cc1cn([C@@H]2CCCC[NH2+]C2)c2ccccc12)C(=O)OCc1ccccc1 ZINC001246312289 1037289448 /nfs/dbraw/zinc/28/94/48/1037289448.db2.gz NMPLIVICMNLJDG-IRLDBZIGSA-N 2 1 391.515 3.569 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246363488 1037322269 /nfs/dbraw/zinc/32/22/69/1037322269.db2.gz XXRPDADDVRWCHH-CWPLJXCYSA-N 2 1 394.401 3.780 20 0 GHADMP C[C@H]1CC([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246363489 1037322888 /nfs/dbraw/zinc/32/28/88/1037322888.db2.gz XXRPDADDVRWCHH-HOTGVXAUSA-N 2 1 394.401 3.780 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246374073 1037330912 /nfs/dbraw/zinc/33/09/12/1037330912.db2.gz JWHJMCHXDCVILT-FYYLOGMGSA-N 3 1 381.539 3.838 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3(c4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246377078 1037334860 /nfs/dbraw/zinc/33/48/60/1037334860.db2.gz YTZHYGFLVIIAFA-XMMPIXPASA-N 3 1 377.576 3.952 20 0 GHADMP c1ccc(CN2CCC[C@@H]([NH2+]CC3(c4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246377078 1037334882 /nfs/dbraw/zinc/33/48/82/1037334882.db2.gz YTZHYGFLVIIAFA-XMMPIXPASA-N 2 1 377.576 3.952 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CCOCC3)c(OC)c2)CC[NH2+]1 ZINC001246385993 1037345873 /nfs/dbraw/zinc/34/58/73/1037345873.db2.gz GXMTXVXTUHQPKH-RTWAWAEBSA-N 2 1 390.568 3.901 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246411603 1037367825 /nfs/dbraw/zinc/36/78/25/1037367825.db2.gz AYXWTQCVNQKEMN-GGAORHGYSA-N 3 1 396.554 3.524 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)CO2 ZINC001246421397 1037377194 /nfs/dbraw/zinc/37/71/94/1037377194.db2.gz RJYZHNYDSDMKEJ-PERKRYKHSA-N 2 1 384.495 3.777 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246429891 1037389891 /nfs/dbraw/zinc/38/98/91/1037389891.db2.gz JNHPRQJVEQJLQB-RHSMWYFYSA-N 2 1 384.442 3.606 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246441569 1037404392 /nfs/dbraw/zinc/40/43/92/1037404392.db2.gz JCKRQVGUIOWDDU-AXUOBQJMSA-N 3 1 380.374 3.662 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1Cc2cccc(Cl)c2C1)C(=O)OCc1ccccc1 ZINC001246484523 1037429865 /nfs/dbraw/zinc/42/98/65/1037429865.db2.gz HSZCYYLANOIYHF-GHTZIAJQSA-N 2 1 386.923 3.638 20 0 GHADMP C[C@@H]1C[C@@H](N[C@H]([C@H]2CCC[NH2+]C2)C(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246489477 1037435050 /nfs/dbraw/zinc/43/50/50/1037435050.db2.gz PTVRTXFCKRSVGQ-HHUCQEJWSA-N 2 1 383.502 3.948 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CCN[C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246517678 1037452120 /nfs/dbraw/zinc/45/21/20/1037452120.db2.gz ARZTUURCLUGJNE-SLYNCCJLSA-N 2 1 375.532 3.508 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246517678 1037452135 /nfs/dbraw/zinc/45/21/35/1037452135.db2.gz ARZTUURCLUGJNE-SLYNCCJLSA-N 2 1 375.532 3.508 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246517678 1037452139 /nfs/dbraw/zinc/45/21/39/1037452139.db2.gz ARZTUURCLUGJNE-SLYNCCJLSA-N 2 1 375.532 3.508 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC001246548595 1037476929 /nfs/dbraw/zinc/47/69/29/1037476929.db2.gz FJLHFXXANBVMRI-QOXJJDPVSA-N 2 1 378.944 3.610 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H](N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246551516 1037477669 /nfs/dbraw/zinc/47/76/69/1037477669.db2.gz RRPANRPXEFUNRT-RBUKOAKNSA-N 2 1 383.502 3.990 20 0 GHADMP C[NH2+]CC1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246597783 1037495177 /nfs/dbraw/zinc/49/51/77/1037495177.db2.gz UUXPNEYQDTYWPJ-JIMJEQGWSA-N 2 1 389.587 3.903 20 0 GHADMP C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246595361 1037495490 /nfs/dbraw/zinc/49/54/90/1037495490.db2.gz NCYGJVGPTKUXJA-UKILVPOCSA-N 2 1 377.576 3.946 20 0 GHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246595361 1037495513 /nfs/dbraw/zinc/49/55/13/1037495513.db2.gz NCYGJVGPTKUXJA-UKILVPOCSA-N 2 1 377.576 3.946 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@H](C)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001246603821 1037499623 /nfs/dbraw/zinc/49/96/23/1037499623.db2.gz OSUVIGDRVXHSTG-RDTXWAMCSA-N 2 1 399.362 3.932 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H](C)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001246603821 1037499638 /nfs/dbraw/zinc/49/96/38/1037499638.db2.gz OSUVIGDRVXHSTG-RDTXWAMCSA-N 2 1 399.362 3.932 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246635546 1037521984 /nfs/dbraw/zinc/52/19/84/1037521984.db2.gz CKIUZDDRKVWJAY-XJKSGUPXSA-N 2 1 378.385 3.837 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001246637317 1037523342 /nfs/dbraw/zinc/52/33/42/1037523342.db2.gz NLGKEDPFWFGNOD-GOSISDBHSA-N 2 1 382.935 3.953 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001246637317 1037523354 /nfs/dbraw/zinc/52/33/54/1037523354.db2.gz NLGKEDPFWFGNOD-GOSISDBHSA-N 2 1 382.935 3.953 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+]([C@H](CC)Cc1ccccc1)C2 ZINC001246667537 1037535504 /nfs/dbraw/zinc/53/55/04/1037535504.db2.gz MZAXOBJYQGNPGI-ZFGGDYGUSA-N 2 1 384.564 3.653 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)CC2CC[NH2+]CC2)CC1 ZINC001246677975 1037543326 /nfs/dbraw/zinc/54/33/26/1037543326.db2.gz BLTLTOBLDJIGAN-UHFFFAOYSA-N 2 1 378.944 3.625 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001246683269 1037545790 /nfs/dbraw/zinc/54/57/90/1037545790.db2.gz IEIZSAABOSJAID-ATPOPXNDSA-N 2 1 389.587 3.903 20 0 GHADMP Fc1ccc(N2CCC([N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246683337 1037546120 /nfs/dbraw/zinc/54/61/20/1037546120.db2.gz RRCULBULWXYWBH-DNQXCXABSA-N 2 1 379.523 3.874 20 0 GHADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)ccc2c1 ZINC001246687129 1037547876 /nfs/dbraw/zinc/54/78/76/1037547876.db2.gz VIMDOQGMQYDLFN-CMIZEVDMSA-N 2 1 380.532 3.622 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC[NH2+]1 ZINC001246698252 1037555186 /nfs/dbraw/zinc/55/51/86/1037555186.db2.gz WZEQCJKFQHEUKS-UXHICEINSA-N 2 1 382.527 3.994 20 0 GHADMP COc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246698120 1037556209 /nfs/dbraw/zinc/55/62/09/1037556209.db2.gz WPVLRRUIWPZRAX-NFBKMPQASA-N 2 1 397.563 3.579 20 0 GHADMP CC[C@@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704031 1037558091 /nfs/dbraw/zinc/55/80/91/1037558091.db2.gz UBYUZYBAIGURSX-ACDBMABISA-N 2 1 391.625 3.724 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)CC[NH2+]2)cc1 ZINC001246706606 1037558230 /nfs/dbraw/zinc/55/82/30/1037558230.db2.gz ZVSXVCPVPGJHNR-ROHNOIKCSA-N 2 1 391.559 3.987 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)CC[NH2+]2)cc1 ZINC001246706606 1037558232 /nfs/dbraw/zinc/55/82/32/1037558232.db2.gz ZVSXVCPVPGJHNR-ROHNOIKCSA-N 2 1 391.559 3.987 20 0 GHADMP c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@H+](C2CCC4(CC[NH2+]CC4)CC2)C3)nc1 ZINC001246713121 1037564259 /nfs/dbraw/zinc/56/42/59/1037564259.db2.gz XTYLBVXNGKIWTG-QPPBQGQZSA-N 2 1 399.579 3.644 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](C2CCC4(CCC[NH2+]C4)CC2)CCO3)c1 ZINC001246716440 1037568138 /nfs/dbraw/zinc/56/81/38/1037568138.db2.gz GASSHDNQZOJWMK-PUOLSWATSA-N 2 1 397.607 3.979 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+]([C@H]2CCC[C@]4(CC[NH2+]C4)C2)CC3)cc1 ZINC001246716752 1037569270 /nfs/dbraw/zinc/56/92/70/1037569270.db2.gz HBRGQUVWHNLJSE-CVDCTZTESA-N 2 1 380.511 3.606 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CCO3)c1 ZINC001246719424 1037569583 /nfs/dbraw/zinc/56/95/83/1037569583.db2.gz MJEDHTAOTNWJAB-VWLOTQADSA-N 2 1 397.607 3.979 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246721955 1037571747 /nfs/dbraw/zinc/57/17/47/1037571747.db2.gz MCMLXPFZFPATNX-MKQKURRLSA-N 2 1 375.601 3.941 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC[NH2+]1 ZINC001246743327 1037584725 /nfs/dbraw/zinc/58/47/25/1037584725.db2.gz GBFSCJBSEVVBIR-MDPIYQRISA-N 2 1 391.531 3.534 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+][C@@H](C(C)(C)C)C4)C3)CC2=O)s1 ZINC001246753149 1037593758 /nfs/dbraw/zinc/59/37/58/1037593758.db2.gz BKRDCOFZMWEUBN-CBGDNZLLSA-N 2 1 375.582 3.652 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@@H](CC)[NH2+]1 ZINC001246766368 1037610201 /nfs/dbraw/zinc/61/02/01/1037610201.db2.gz AOYWUKBJYFHLAG-PMAPCBKXSA-N 2 1 398.551 3.545 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@@H](CC)[NH2+]1 ZINC001246766368 1037610215 /nfs/dbraw/zinc/61/02/15/1037610215.db2.gz AOYWUKBJYFHLAG-PMAPCBKXSA-N 2 1 398.551 3.545 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770398 1037613186 /nfs/dbraw/zinc/61/31/86/1037613186.db2.gz YKDGFJSWAPPJFR-FGCOXFRFSA-N 2 1 396.623 3.926 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770398 1037613204 /nfs/dbraw/zinc/61/32/04/1037613204.db2.gz YKDGFJSWAPPJFR-FGCOXFRFSA-N 3 1 396.623 3.926 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770398 1037613224 /nfs/dbraw/zinc/61/32/24/1037613224.db2.gz YKDGFJSWAPPJFR-FGCOXFRFSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770398 1037613233 /nfs/dbraw/zinc/61/32/33/1037613233.db2.gz YKDGFJSWAPPJFR-FGCOXFRFSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770398 1037613242 /nfs/dbraw/zinc/61/32/42/1037613242.db2.gz YKDGFJSWAPPJFR-FGCOXFRFSA-N 3 1 396.623 3.926 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)C1=O ZINC001246780890 1037621672 /nfs/dbraw/zinc/62/16/72/1037621672.db2.gz VVPVWIZMZMFANZ-VNZMSGEBSA-N 2 1 383.580 3.799 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)CC[NH2+]2)cc1 ZINC001246854231 1037677269 /nfs/dbraw/zinc/67/72/69/1037677269.db2.gz PPAPNGLJZFFEGG-RPBOFIJWSA-N 3 1 389.587 3.948 20 0 GHADMP CCOc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246863980 1037683730 /nfs/dbraw/zinc/68/37/30/1037683730.db2.gz NVAODSHATHBCER-FYYLOGMGSA-N 2 1 379.548 3.571 20 0 GHADMP COc1cc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)ccc1Cl ZINC001246891971 1037709086 /nfs/dbraw/zinc/70/90/86/1037709086.db2.gz ZORWXBKGHQNVHH-SFHVURJKSA-N 2 1 377.960 3.926 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)C[C@H](CC)[NH2+]1 ZINC001246915125 1037723359 /nfs/dbraw/zinc/72/33/59/1037723359.db2.gz VFCXXVPTSMOZSY-MUJYYYPQSA-N 2 1 398.020 3.673 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246935234 1037737488 /nfs/dbraw/zinc/73/74/88/1037737488.db2.gz KVELVPPMYRUWRI-FUHYEJFZSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246935234 1037737510 /nfs/dbraw/zinc/73/75/10/1037737510.db2.gz KVELVPPMYRUWRI-FUHYEJFZSA-N 2 1 376.516 3.892 20 0 GHADMP C[NH+](C)C1CCC([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CC1 ZINC001246938363 1037743358 /nfs/dbraw/zinc/74/33/58/1037743358.db2.gz PFKVIRRUGJJYHS-UHFFFAOYSA-N 3 1 394.401 3.876 20 0 GHADMP C[NH+](C)C1CCC([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001246938363 1037743375 /nfs/dbraw/zinc/74/33/75/1037743375.db2.gz PFKVIRRUGJJYHS-UHFFFAOYSA-N 2 1 394.401 3.876 20 0 GHADMP C[NH+](C)C1CCC([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001246938363 1037743396 /nfs/dbraw/zinc/74/33/96/1037743396.db2.gz PFKVIRRUGJJYHS-UHFFFAOYSA-N 2 1 394.401 3.876 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246940360 1037745135 /nfs/dbraw/zinc/74/51/35/1037745135.db2.gz WMTCCUNAJIKLKU-NFBKMPQASA-N 2 1 383.580 3.926 20 0 GHADMP COc1cccc2c1C[C@@H]([N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)CO2 ZINC001246946414 1037750126 /nfs/dbraw/zinc/75/01/26/1037750126.db2.gz MEGFIFRMNMBKEX-LJQANCHMSA-N 2 1 386.923 3.906 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)CO2 ZINC001246946414 1037750146 /nfs/dbraw/zinc/75/01/46/1037750146.db2.gz MEGFIFRMNMBKEX-LJQANCHMSA-N 2 1 386.923 3.906 20 0 GHADMP CCOCC[N@@H+]([C@@H](C)CCc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001246949349 1037752751 /nfs/dbraw/zinc/75/27/51/1037752751.db2.gz JOXLNWFQYRQBOU-INIZCTEOSA-N 2 1 383.374 3.861 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246959963 1037777658 /nfs/dbraw/zinc/77/76/58/1037777658.db2.gz KHUVXNTZGQSKBS-LPHOPBHVSA-N 2 1 392.515 3.510 20 0 GHADMP CCCOC1CCC([N@@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)CC1 ZINC001246961165 1037782127 /nfs/dbraw/zinc/78/21/27/1037782127.db2.gz ZQRJUSGMFBDJAH-UHFFFAOYSA-N 2 1 388.552 3.765 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969927 1037795195 /nfs/dbraw/zinc/79/51/95/1037795195.db2.gz MMBLFNVXPZCGRV-OWCLPIDISA-N 2 1 386.462 3.649 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969927 1037795215 /nfs/dbraw/zinc/79/52/15/1037795215.db2.gz MMBLFNVXPZCGRV-OWCLPIDISA-N 2 1 386.462 3.649 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccc(C(=O)NCCC)cc3)C2)CC[NH2+]1 ZINC001246974306 1037798254 /nfs/dbraw/zinc/79/82/54/1037798254.db2.gz PGXJZECAZUQKBY-ONTIZHBOSA-N 2 1 387.568 3.590 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)c1 ZINC001246975914 1037800829 /nfs/dbraw/zinc/80/08/29/1037800829.db2.gz DDXJBTVUCQFPLU-UGKGYDQZSA-N 2 1 398.526 3.589 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001247010544 1037833941 /nfs/dbraw/zinc/83/39/41/1037833941.db2.gz PXENRKMRCQQUHH-SFHVURJKSA-N 2 1 378.516 3.889 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001247010544 1037833971 /nfs/dbraw/zinc/83/39/71/1037833971.db2.gz PXENRKMRCQQUHH-SFHVURJKSA-N 2 1 378.516 3.889 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(OC)cc1Cl ZINC001232372737 1038147522 /nfs/dbraw/zinc/14/75/22/1038147522.db2.gz NAOFUCRBDOFFML-UHFFFAOYSA-N 2 1 375.900 3.800 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232434558 1038213423 /nfs/dbraw/zinc/21/34/23/1038213423.db2.gz PXCAWVIMJIFBSZ-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232434558 1038213430 /nfs/dbraw/zinc/21/34/30/1038213430.db2.gz PXCAWVIMJIFBSZ-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232434558 1038213445 /nfs/dbraw/zinc/21/34/45/1038213445.db2.gz PXCAWVIMJIFBSZ-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232434558 1038213459 /nfs/dbraw/zinc/21/34/59/1038213459.db2.gz PXCAWVIMJIFBSZ-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP Cc1ccccc1C[C@@H]([NH3+])c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247639583 1038286280 /nfs/dbraw/zinc/28/62/80/1038286280.db2.gz BDOJCTHGVCNMDZ-NRJHKNTJSA-N 2 1 375.476 3.749 20 0 GHADMP C[N@@H+](Cc1cccc(Br)c1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232526626 1038291008 /nfs/dbraw/zinc/29/10/08/1038291008.db2.gz LOWIUBFRGDAPFM-QGZVFWFLSA-N 2 1 388.353 3.985 20 0 GHADMP C[N@H+](Cc1cccc(Br)c1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232526626 1038291012 /nfs/dbraw/zinc/29/10/12/1038291012.db2.gz LOWIUBFRGDAPFM-QGZVFWFLSA-N 2 1 388.353 3.985 20 0 GHADMP C[NH+](Cc1cccc(Br)c1N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001232526626 1038291015 /nfs/dbraw/zinc/29/10/15/1038291015.db2.gz LOWIUBFRGDAPFM-QGZVFWFLSA-N 2 1 388.353 3.985 20 0 GHADMP C[NH+](Cc1cccc(Br)c1N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232526626 1038291016 /nfs/dbraw/zinc/29/10/16/1038291016.db2.gz LOWIUBFRGDAPFM-QGZVFWFLSA-N 2 1 388.353 3.985 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cccc(Br)c2C(F)(F)F)no1 ZINC001247698362 1038337510 /nfs/dbraw/zinc/33/75/10/1038337510.db2.gz GMCDASKAGRNVTF-SNVBAGLBSA-N 2 1 393.207 3.647 20 0 GHADMP Fc1cc(-c2noc(C[C@@H]3CCC[NH2+]CC3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247807401 1038395550 /nfs/dbraw/zinc/39/55/50/1038395550.db2.gz ZBPODOQWNXCNRR-AUUYWEPGSA-N 2 1 381.455 3.540 20 0 GHADMP COc1cccc(C)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001232620474 1038407072 /nfs/dbraw/zinc/40/70/72/1038407072.db2.gz MSKXDTMZRVBOSZ-NRFANRHFSA-N 2 1 395.547 3.654 20 0 GHADMP Cc1ccc2cccc(-c3noc([C@@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)c2n1 ZINC001247905216 1038476639 /nfs/dbraw/zinc/47/66/39/1038476639.db2.gz MFUYTMUCTFEUCT-QGZVFWFLSA-N 2 1 377.492 3.525 20 0 GHADMP c1cc(N2CCCCC2)ccc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247909131 1038481865 /nfs/dbraw/zinc/48/18/65/1038481865.db2.gz FXUBWLQPYXLPND-UHFFFAOYSA-N 2 1 395.551 3.658 20 0 GHADMP Fc1cc(Cl)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1F ZINC001247909774 1038482416 /nfs/dbraw/zinc/48/24/16/1038482416.db2.gz QSJCJYDOXFPMQI-UHFFFAOYSA-N 2 1 382.842 3.600 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC[NH+](Cc4nc5ccccn5n4)CC3)CC2)cc1 ZINC001233070676 1038836007 /nfs/dbraw/zinc/83/60/07/1038836007.db2.gz SUPPYMVETHMJTI-UHFFFAOYSA-N 2 1 389.547 3.916 20 0 GHADMP COc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1NC(=O)OC(C)(C)C ZINC001233128584 1038913495 /nfs/dbraw/zinc/91/34/95/1038913495.db2.gz NKSHJHDIWYIPTG-UHFFFAOYSA-N 2 1 377.529 3.816 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[nH+]1 ZINC001252409439 1038988506 /nfs/dbraw/zinc/98/85/06/1038988506.db2.gz FHWNVAIEMWMBBF-OAQYLSRUSA-N 2 1 387.487 3.667 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1O ZINC001233230817 1038991661 /nfs/dbraw/zinc/99/16/61/1038991661.db2.gz DBCZPYVFPNLWLF-JOCHJYFZSA-N 2 1 380.532 3.956 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276422 1039048376 /nfs/dbraw/zinc/04/83/76/1039048376.db2.gz LWVCOMGPQKFULD-WWPVKYPJSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276422 1039048394 /nfs/dbraw/zinc/04/83/94/1039048394.db2.gz LWVCOMGPQKFULD-WWPVKYPJSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276422 1039048408 /nfs/dbraw/zinc/04/84/08/1039048408.db2.gz LWVCOMGPQKFULD-WWPVKYPJSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCO4)C[C@H]21 ZINC001233276422 1039048424 /nfs/dbraw/zinc/04/84/24/1039048424.db2.gz LWVCOMGPQKFULD-WWPVKYPJSA-N 2 1 377.532 3.749 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC001252638240 1039059408 /nfs/dbraw/zinc/05/94/08/1039059408.db2.gz NJVMJAASQXZKRI-JOCHJYFZSA-N 3 1 394.003 3.502 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)c1cccc(Cl)c1 ZINC001252638240 1039059423 /nfs/dbraw/zinc/05/94/23/1039059423.db2.gz NJVMJAASQXZKRI-JOCHJYFZSA-N 3 1 394.003 3.502 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)c1cccc(Cl)c1 ZINC001252638240 1039059440 /nfs/dbraw/zinc/05/94/40/1039059440.db2.gz NJVMJAASQXZKRI-JOCHJYFZSA-N 3 1 394.003 3.502 20 0 GHADMP O=c1ccc2c(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295344 1039084156 /nfs/dbraw/zinc/08/41/56/1039084156.db2.gz XMEDRZOZNWXTKL-ICSRJNTNSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295344 1039084171 /nfs/dbraw/zinc/08/41/71/1039084171.db2.gz XMEDRZOZNWXTKL-ICSRJNTNSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295344 1039084190 /nfs/dbraw/zinc/08/41/90/1039084190.db2.gz XMEDRZOZNWXTKL-ICSRJNTNSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295344 1039084208 /nfs/dbraw/zinc/08/42/08/1039084208.db2.gz XMEDRZOZNWXTKL-ICSRJNTNSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295344 1039084224 /nfs/dbraw/zinc/08/42/24/1039084224.db2.gz XMEDRZOZNWXTKL-ICSRJNTNSA-N 2 1 389.499 3.600 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252917784 1039257100 /nfs/dbraw/zinc/25/71/00/1039257100.db2.gz YBOPBWKTNAZAFK-UBFVSLLYSA-N 2 1 394.559 3.741 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917784 1039257108 /nfs/dbraw/zinc/25/71/08/1039257108.db2.gz YBOPBWKTNAZAFK-UBFVSLLYSA-N 2 1 394.559 3.741 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCC3)C2)CC1 ZINC001253141293 1039444184 /nfs/dbraw/zinc/44/41/84/1039444184.db2.gz BHPLWNTYXPZVIA-IRLDBZIGSA-N 2 1 390.616 3.547 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(OCc2ccccc2)c1 ZINC001233639001 1039502341 /nfs/dbraw/zinc/50/23/41/1039502341.db2.gz IZDPXYHJVBVPMQ-BJKOFHAPSA-N 2 1 393.575 3.784 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)CCOCc2ccccc2)CC1 ZINC001253276003 1039521989 /nfs/dbraw/zinc/52/19/89/1039521989.db2.gz ZMVCIZCBYPEYCQ-XMMPIXPASA-N 2 1 382.548 3.551 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)CCOCc2ccccc2)CC1 ZINC001253276003 1039521999 /nfs/dbraw/zinc/52/19/99/1039521999.db2.gz ZMVCIZCBYPEYCQ-XMMPIXPASA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC001253394144 1039596626 /nfs/dbraw/zinc/59/66/26/1039596626.db2.gz AKZLMSVWZXRHEI-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC001253394144 1039596635 /nfs/dbraw/zinc/59/66/35/1039596635.db2.gz AKZLMSVWZXRHEI-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC001253394144 1039596647 /nfs/dbraw/zinc/59/66/47/1039596647.db2.gz AKZLMSVWZXRHEI-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001278721131 1039632792 /nfs/dbraw/zinc/63/27/92/1039632792.db2.gz VWERPTDOMJKCMW-OKILXGFUSA-N 2 1 377.476 3.638 20 0 GHADMP COc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001278721131 1039632805 /nfs/dbraw/zinc/63/28/05/1039632805.db2.gz VWERPTDOMJKCMW-OKILXGFUSA-N 2 1 377.476 3.638 20 0 GHADMP COc1ncc(C[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001278721131 1039632811 /nfs/dbraw/zinc/63/28/11/1039632811.db2.gz VWERPTDOMJKCMW-OKILXGFUSA-N 2 1 377.476 3.638 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253487080 1039669096 /nfs/dbraw/zinc/66/90/96/1039669096.db2.gz BWICKSSNSMZVEV-DXIQSLLYSA-N 2 1 378.988 3.933 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253487080 1039669101 /nfs/dbraw/zinc/66/91/01/1039669101.db2.gz BWICKSSNSMZVEV-DXIQSLLYSA-N 2 1 378.988 3.933 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253487080 1039669106 /nfs/dbraw/zinc/66/91/06/1039669106.db2.gz BWICKSSNSMZVEV-DXIQSLLYSA-N 2 1 378.988 3.933 20 0 GHADMP COCC[NH+]1CCC([NH2+]C[C@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)CC1 ZINC001253492694 1039673156 /nfs/dbraw/zinc/67/31/56/1039673156.db2.gz GTXGGHWVCGCVQW-JOCHJYFZSA-N 2 1 397.003 3.750 20 0 GHADMP C[N@H+]1[C@@H]2C[C@H](Oc3ccc4c(c3)[C@@]35CCCC[C@@H]3[C@@H](C4)[NH+](C)CC5)[C@H]1CC(=O)C2 ZINC001233939465 1039715632 /nfs/dbraw/zinc/71/56/32/1039715632.db2.gz NTWIOBZVGSOTSB-WOXBGYBESA-N 2 1 394.559 3.558 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cc1 ZINC001253826741 1039833797 /nfs/dbraw/zinc/83/37/97/1039833797.db2.gz WYEWKZHMYQFNIZ-RYCFVGSHSA-N 2 1 394.559 3.845 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cc1 ZINC001253826741 1039833824 /nfs/dbraw/zinc/83/38/24/1039833824.db2.gz WYEWKZHMYQFNIZ-RYCFVGSHSA-N 2 1 394.559 3.845 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc1 ZINC001253826741 1039833853 /nfs/dbraw/zinc/83/38/53/1039833853.db2.gz WYEWKZHMYQFNIZ-RYCFVGSHSA-N 2 1 394.559 3.845 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc1 ZINC001253826741 1039833878 /nfs/dbraw/zinc/83/38/78/1039833878.db2.gz WYEWKZHMYQFNIZ-RYCFVGSHSA-N 2 1 394.559 3.845 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001462406941 1070231826 /nfs/dbraw/zinc/23/18/26/1070231826.db2.gz DHYLYXHARYGJJR-AZUAARDMSA-N 2 1 397.604 3.645 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001234119802 1039861514 /nfs/dbraw/zinc/86/15/14/1039861514.db2.gz DJACSKTUWQETQA-UHFFFAOYSA-N 2 1 399.970 3.684 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001234119802 1039861542 /nfs/dbraw/zinc/86/15/42/1039861542.db2.gz DJACSKTUWQETQA-UHFFFAOYSA-N 2 1 399.970 3.684 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001254201993 1040051615 /nfs/dbraw/zinc/05/16/15/1040051615.db2.gz JMLOMYPQRVNFSC-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001254201993 1040051629 /nfs/dbraw/zinc/05/16/29/1040051629.db2.gz JMLOMYPQRVNFSC-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001254201993 1040051649 /nfs/dbraw/zinc/05/16/49/1040051649.db2.gz JMLOMYPQRVNFSC-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001254525109 1040298677 /nfs/dbraw/zinc/29/86/77/1040298677.db2.gz GDFVVLWTMBYGER-SFHVURJKSA-N 2 1 379.342 3.828 20 0 GHADMP C[N@@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001254525109 1040298664 /nfs/dbraw/zinc/29/86/64/1040298664.db2.gz GDFVVLWTMBYGER-SFHVURJKSA-N 2 1 379.342 3.828 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235009679 1040498184 /nfs/dbraw/zinc/49/81/84/1040498184.db2.gz XPKZNTKDUDKRMQ-DEOSSOPVSA-N 2 1 395.547 3.665 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235009679 1040498194 /nfs/dbraw/zinc/49/81/94/1040498194.db2.gz XPKZNTKDUDKRMQ-DEOSSOPVSA-N 2 1 395.547 3.665 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755280 1040517623 /nfs/dbraw/zinc/51/76/23/1040517623.db2.gz QSDPLWZDGIRVGV-AVRDEDQJSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755280 1040517641 /nfs/dbraw/zinc/51/76/41/1040517641.db2.gz QSDPLWZDGIRVGV-AVRDEDQJSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755280 1040517661 /nfs/dbraw/zinc/51/76/61/1040517661.db2.gz QSDPLWZDGIRVGV-AVRDEDQJSA-N 2 1 377.573 3.584 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH+]1CCC([NH+]3CCC3)CC1)CC2 ZINC001254882520 1040632720 /nfs/dbraw/zinc/63/27/20/1040632720.db2.gz LIDQMZMTOBTKJE-UHFFFAOYSA-N 2 1 377.573 3.726 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC(=O)C[C@@H]4C2)CC3)c1 ZINC001254952658 1040688293 /nfs/dbraw/zinc/68/82/93/1040688293.db2.gz MIFJWYVVBSIKJE-PMACEKPBSA-N 2 1 382.548 3.741 20 0 GHADMP [NH3+][C@@H]1Cc2c3ccccc3n(C3C[C@@H]4COC[C@H](C3)[N@H+]4Cc3ccccc3)c2C1 ZINC001254995017 1040715718 /nfs/dbraw/zinc/71/57/18/1040715718.db2.gz JFNAEOLTYGBNMO-WVVQBRDUSA-N 2 1 387.527 3.672 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1Br ZINC001235238573 1040719333 /nfs/dbraw/zinc/71/93/33/1040719333.db2.gz PYOBEGZGTLUKLW-MRXNPFEDSA-N 2 1 385.321 3.951 20 0 GHADMP C[NH2+]Cc1ccc2c(ccn2C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255001369 1040721608 /nfs/dbraw/zinc/72/16/08/1040721608.db2.gz LKDDNLHMTMALAH-NOTZXAQLSA-N 2 1 375.516 3.965 20 0 GHADMP CCCc1ccc(C[N@H+]2C[C@H]3C4(CC[C@@]3(C(=O)OCC)C2)CC[NH2+]CC4)s1 ZINC001235324127 1040795014 /nfs/dbraw/zinc/79/50/14/1040795014.db2.gz HHLMPGJHJDNZIF-SIKLNZKXSA-N 2 1 390.593 3.846 20 0 GHADMP Cc1cnc(F)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001235333790 1040804223 /nfs/dbraw/zinc/80/42/23/1040804223.db2.gz ZXJPEBDXNVEAFH-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Br)c1 ZINC001235340154 1040811648 /nfs/dbraw/zinc/81/16/48/1040811648.db2.gz ICSXICXPERDFQX-LLVKDONJSA-N 2 1 388.147 3.561 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255123194 1040815162 /nfs/dbraw/zinc/81/51/62/1040815162.db2.gz OWRWWIFZOSXDOD-DEOSSOPVSA-N 2 1 381.539 3.996 20 0 GHADMP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCc1ccccc1 ZINC001255127991 1040820492 /nfs/dbraw/zinc/82/04/92/1040820492.db2.gz HPPJVOAXGFNKMR-NUNAXRQHSA-N 2 1 378.516 3.905 20 0 GHADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1O ZINC001255130965 1040826564 /nfs/dbraw/zinc/82/65/64/1040826564.db2.gz KZLVCCISJFIDCP-ACDBMABISA-N 2 1 382.504 3.695 20 0 GHADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1O ZINC001255130965 1040826572 /nfs/dbraw/zinc/82/65/72/1040826572.db2.gz KZLVCCISJFIDCP-ACDBMABISA-N 2 1 382.504 3.695 20 0 GHADMP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349732 1040826874 /nfs/dbraw/zinc/82/68/74/1040826874.db2.gz CHSZORNHDDWENR-HYBUGGRVSA-N 2 1 389.499 3.534 20 0 GHADMP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349732 1040826888 /nfs/dbraw/zinc/82/68/88/1040826888.db2.gz CHSZORNHDDWENR-HYBUGGRVSA-N 2 1 389.499 3.534 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CCC1 ZINC001255132087 1040827502 /nfs/dbraw/zinc/82/75/02/1040827502.db2.gz ITPIYIQSBRGTFW-MNBCMZHHSA-N 2 1 395.591 3.999 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255139666 1040845361 /nfs/dbraw/zinc/84/53/61/1040845361.db2.gz GCYOEDRHAJKMEP-BURNTYAHSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255139666 1040845365 /nfs/dbraw/zinc/84/53/65/1040845365.db2.gz GCYOEDRHAJKMEP-BURNTYAHSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255139666 1040845372 /nfs/dbraw/zinc/84/53/72/1040845372.db2.gz GCYOEDRHAJKMEP-BURNTYAHSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255139666 1040845377 /nfs/dbraw/zinc/84/53/77/1040845377.db2.gz GCYOEDRHAJKMEP-BURNTYAHSA-N 2 1 385.552 3.781 20 0 GHADMP CCN1C(=O)CCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255139532 1040846047 /nfs/dbraw/zinc/84/60/47/1040846047.db2.gz FABUERYPSCFSEK-ZBYYUNFXSA-N 2 1 381.564 3.659 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235364784 1040851763 /nfs/dbraw/zinc/85/17/63/1040851763.db2.gz MTRHBOMURHSLHK-XUZZJYLKSA-N 2 1 380.532 3.765 20 0 GHADMP O=C([C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142866 1040853122 /nfs/dbraw/zinc/85/31/22/1040853122.db2.gz KGSPASQZPDALQN-CJRSTVEYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142866 1040853133 /nfs/dbraw/zinc/85/31/33/1040853133.db2.gz KGSPASQZPDALQN-CJRSTVEYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142866 1040853142 /nfs/dbraw/zinc/85/31/42/1040853142.db2.gz KGSPASQZPDALQN-CJRSTVEYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CCCC1 ZINC001255145982 1040858004 /nfs/dbraw/zinc/85/80/04/1040858004.db2.gz YGXZTCBWPWKKKB-KAOXLYBCSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CCCC1 ZINC001255145982 1040858022 /nfs/dbraw/zinc/85/80/22/1040858022.db2.gz YGXZTCBWPWKKKB-KAOXLYBCSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCC1 ZINC001255145982 1040858031 /nfs/dbraw/zinc/85/80/31/1040858031.db2.gz YGXZTCBWPWKKKB-KAOXLYBCSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCC1 ZINC001255145982 1040858040 /nfs/dbraw/zinc/85/80/40/1040858040.db2.gz YGXZTCBWPWKKKB-KAOXLYBCSA-N 2 1 381.564 3.659 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255144484 1040858229 /nfs/dbraw/zinc/85/82/29/1040858229.db2.gz UFXIDKICWFOKSD-AANQFLQQSA-N 2 1 395.591 3.905 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255144484 1040858241 /nfs/dbraw/zinc/85/82/41/1040858241.db2.gz UFXIDKICWFOKSD-AANQFLQQSA-N 2 1 395.591 3.905 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235366809 1040862743 /nfs/dbraw/zinc/86/27/43/1040862743.db2.gz RTXUWQNDLQTCJA-NFBKMPQASA-N 2 1 387.568 3.545 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc(-c4cnccn4)cc2)CC3)cc1 ZINC001235368645 1040864798 /nfs/dbraw/zinc/86/47/98/1040864798.db2.gz KFJUDNJMFVPLMM-UKILVPOCSA-N 2 1 384.527 3.897 20 0 GHADMP CCN1CCc2ccc(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)cc21 ZINC001235369135 1040870824 /nfs/dbraw/zinc/87/08/24/1040870824.db2.gz QPNZWLTVKJSPTE-ILBGXUMGSA-N 2 1 375.560 3.822 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ncn1 ZINC001255150634 1040871418 /nfs/dbraw/zinc/87/14/18/1040871418.db2.gz ODTYKKWRHHCCRQ-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ncn1 ZINC001255150634 1040871428 /nfs/dbraw/zinc/87/14/28/1040871428.db2.gz ODTYKKWRHHCCRQ-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC001255150634 1040871435 /nfs/dbraw/zinc/87/14/35/1040871435.db2.gz ODTYKKWRHHCCRQ-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC001255150634 1040871444 /nfs/dbraw/zinc/87/14/44/1040871444.db2.gz ODTYKKWRHHCCRQ-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235377791 1040891730 /nfs/dbraw/zinc/89/17/30/1040891730.db2.gz DFNBEQAXCISWIF-KVSKMBFKSA-N 2 1 379.342 3.525 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)ccc1Oc1ccc(F)cc1 ZINC001235378770 1040896759 /nfs/dbraw/zinc/89/67/59/1040896759.db2.gz JVKPNOMKEOYWAE-QTGUNEKASA-N 2 1 382.479 3.879 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)cn2C ZINC001235380813 1040900922 /nfs/dbraw/zinc/90/09/22/1040900922.db2.gz PPINHDCCMJSBMF-VWNXMTODSA-N 2 1 375.516 3.766 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1Br ZINC001235423917 1040925272 /nfs/dbraw/zinc/92/52/72/1040925272.db2.gz HDQMRWXAMNKRSX-HZPDHXFCSA-N 2 1 397.357 3.678 20 0 GHADMP Brc1ccnc2[nH]cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC001235426838 1040928081 /nfs/dbraw/zinc/92/80/81/1040928081.db2.gz LTXKNSVZXPDJPG-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1cnc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235427815 1040928672 /nfs/dbraw/zinc/92/86/72/1040928672.db2.gz NOILRHCABBZQTR-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP Ic1sccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428101 1040930017 /nfs/dbraw/zinc/93/00/17/1040930017.db2.gz OSHPSPFQPCNVFY-OLZOCXBDSA-N 2 1 390.334 3.564 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(=O)C(C)C ZINC001235428406 1040930058 /nfs/dbraw/zinc/93/00/58/1040930058.db2.gz OIIBDXKYXGDPNE-PMACEKPBSA-N 2 1 388.552 3.858 20 0 GHADMP Cc1cc(Br)c(C[N@H+](C)CC2CC[NH2+]CC2)c(Br)c1 ZINC001235431802 1040933679 /nfs/dbraw/zinc/93/36/79/1040933679.db2.gz DAGOBRKJJSVWLF-UHFFFAOYSA-N 2 1 390.163 3.951 20 0 GHADMP Cc1cc(Br)c(C[N@@H+](C)CC2CC[NH2+]CC2)c(Br)c1 ZINC001235431802 1040933682 /nfs/dbraw/zinc/93/36/82/1040933682.db2.gz DAGOBRKJJSVWLF-UHFFFAOYSA-N 2 1 390.163 3.951 20 0 GHADMP CCOC(=O)C1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001255266413 1040934423 /nfs/dbraw/zinc/93/44/23/1040934423.db2.gz MATIGBPPJAKTLT-JSPDHQCPSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001255266413 1040934427 /nfs/dbraw/zinc/93/44/27/1040934427.db2.gz MATIGBPPJAKTLT-JSPDHQCPSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001255266413 1040934430 /nfs/dbraw/zinc/93/44/30/1040934430.db2.gz MATIGBPPJAKTLT-JSPDHQCPSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255350046 1040955905 /nfs/dbraw/zinc/95/59/05/1040955905.db2.gz QIDIQFKFRSRYSS-ZIBCJSCZSA-N 2 1 388.552 3.889 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)cc1 ZINC001255383699 1040973574 /nfs/dbraw/zinc/97/35/74/1040973574.db2.gz MHOGQTLBRJTGGP-HSZRJFAPSA-N 2 1 385.596 3.666 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255389574 1040977993 /nfs/dbraw/zinc/97/79/93/1040977993.db2.gz NYULSRRQSIDMFT-RUZDIDTESA-N 3 1 399.623 3.769 20 0 GHADMP c1ccc(CN2CCC[C@@H]([NH2+]CC3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255389574 1040978001 /nfs/dbraw/zinc/97/80/01/1040978001.db2.gz NYULSRRQSIDMFT-RUZDIDTESA-N 2 1 399.623 3.769 20 0 GHADMP CCN(CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255390130 1040978422 /nfs/dbraw/zinc/97/84/22/1040978422.db2.gz YZBSFHJIVHVQBT-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255391543 1040978967 /nfs/dbraw/zinc/97/89/67/1040978967.db2.gz RIDGCVFFXZKTEA-QHCPKHFHSA-N 2 1 380.532 3.937 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255390765 1040979147 /nfs/dbraw/zinc/97/91/47/1040979147.db2.gz KRKUOABMVGCPHM-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@H+](C[C@H]1CCCC[NH2+]1)C[C@H]2c1ccccc1 ZINC001235547484 1040982234 /nfs/dbraw/zinc/98/22/34/1040982234.db2.gz VVEPIEPDOLUXDV-UNWVZKJWSA-N 2 1 395.572 3.713 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@@H+](C[C@H]1CCCC[NH2+]1)C[C@H]2c1ccccc1 ZINC001235547484 1040982238 /nfs/dbraw/zinc/98/22/38/1040982238.db2.gz VVEPIEPDOLUXDV-UNWVZKJWSA-N 2 1 395.572 3.713 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](N3CC[NH+](CCOc4ccccc4)CC3)CC2)cc1 ZINC001255401455 1040987778 /nfs/dbraw/zinc/98/77/78/1040987778.db2.gz ANMWBKNZVMUNBA-DEOSSOPVSA-N 2 1 393.575 3.738 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](N3CC[NH+](CCOc4ccccc4)CC3)CC2)cc1 ZINC001255401455 1040987779 /nfs/dbraw/zinc/98/77/79/1040987779.db2.gz ANMWBKNZVMUNBA-DEOSSOPVSA-N 2 1 393.575 3.738 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(C[C@H]([NH3+])Cc3ccccc3)C[C@@H]21 ZINC001235560220 1040987974 /nfs/dbraw/zinc/98/79/74/1040987974.db2.gz OPYMLMSPRLSPNF-PABCKOPISA-N 2 1 383.605 3.850 20 0 GHADMP CN(C)C(=O)N1CCCC12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402968 1040989640 /nfs/dbraw/zinc/98/96/40/1040989640.db2.gz PYRJBDXRGBGADY-QFIPXVFZSA-N 2 1 398.595 3.653 20 0 GHADMP O=C1CC[C@H]2[C@H](CC[N@H+]2[C@H]2CCC[NH+](Cc3ccccc3)CC2)N1CC1CC1 ZINC001255404175 1040991293 /nfs/dbraw/zinc/99/12/93/1040991293.db2.gz TZTLXQWEYJZNMO-VABKMULXSA-N 2 1 381.564 3.516 20 0 GHADMP O=C1CC[C@H]2[C@H](CC[NH+]2[C@H]2CCC[N@H+](Cc3ccccc3)CC2)N1CC1CC1 ZINC001255404175 1040991296 /nfs/dbraw/zinc/99/12/96/1040991296.db2.gz TZTLXQWEYJZNMO-VABKMULXSA-N 2 1 381.564 3.516 20 0 GHADMP O=C1CC[C@H]2[C@H](CC[NH+]2[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)N1CC1CC1 ZINC001255404175 1040991304 /nfs/dbraw/zinc/99/13/04/1040991304.db2.gz TZTLXQWEYJZNMO-VABKMULXSA-N 2 1 381.564 3.516 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(C[NH3+])cc2)CC3)c1 ZINC001235592720 1041005001 /nfs/dbraw/zinc/00/50/01/1041005001.db2.gz UMHOOBOPILBPDM-UHFFFAOYSA-N 3 1 379.548 3.642 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1=O ZINC001235635753 1041068035 /nfs/dbraw/zinc/06/80/35/1041068035.db2.gz YWZSGXSUILNYGR-XMMPIXPASA-N 2 1 383.580 3.945 20 0 GHADMP C[C@@H](CS(=O)(=O)c1ccccc1)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255808973 1041314950 /nfs/dbraw/zinc/31/49/50/1041314950.db2.gz WIGAGAGCHGFEHA-JBACZVJFSA-N 2 1 386.561 3.621 20 0 GHADMP CC1(N2CC[NH+](Cc3cccc(-c4ccc(Cl)cc4)n3)CC2)CC[NH2+]CC1 ZINC001235819825 1041336117 /nfs/dbraw/zinc/33/61/17/1041336117.db2.gz JECQXFDTZFUTSE-UHFFFAOYSA-N 2 1 384.955 3.662 20 0 GHADMP Cc1nc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)ccc2s1 ZINC001235859981 1041389832 /nfs/dbraw/zinc/38/98/32/1041389832.db2.gz HUCHNJOTDXJZTE-UHFFFAOYSA-N 2 1 395.576 3.845 20 0 GHADMP [NH3+]CCNC(=O)c1cccc(C[N@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001235883124 1041409429 /nfs/dbraw/zinc/40/94/29/1041409429.db2.gz XHAWWMCFKJJGJH-KRWDZBQOSA-N 2 1 392.330 3.671 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001255960200 1041437946 /nfs/dbraw/zinc/43/79/46/1041437946.db2.gz FTXGPQPIVOZIET-RCZSKKKRSA-N 2 1 393.547 3.591 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001255960200 1041437956 /nfs/dbraw/zinc/43/79/56/1041437956.db2.gz FTXGPQPIVOZIET-RCZSKKKRSA-N 2 1 393.547 3.591 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2F ZINC001255959946 1041438189 /nfs/dbraw/zinc/43/81/89/1041438189.db2.gz QCFQEUIPWIFQHW-BBTUJRGHSA-N 2 1 385.568 3.778 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2F ZINC001255959946 1041438195 /nfs/dbraw/zinc/43/81/95/1041438195.db2.gz QCFQEUIPWIFQHW-BBTUJRGHSA-N 2 1 385.568 3.778 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2O[C@H](COCc3csc(C)n3)CC[C@H]21 ZINC001255962208 1041442691 /nfs/dbraw/zinc/44/26/91/1041442691.db2.gz HOPPBHJVJVYQAI-VRXWPRPYSA-N 2 1 395.613 3.710 20 0 GHADMP CCOCC[N@@H+]([C@H](C)CC[NH+](CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255971790 1041449010 /nfs/dbraw/zinc/44/90/10/1041449010.db2.gz KYDMKAPIAXJUFV-LJQANCHMSA-N 2 1 399.620 3.845 20 0 GHADMP c1c(C2CC[NH2+]CC2)nn2cc(C[N@H+]3CCC[C@H](c4ccccc4)CC3)cnc12 ZINC001235960742 1041467214 /nfs/dbraw/zinc/46/72/14/1041467214.db2.gz XHOXXJGYXWIVLA-NRFANRHFSA-N 2 1 389.547 3.966 20 0 GHADMP COc1cc(Cl)cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1OC ZINC001235976017 1041481284 /nfs/dbraw/zinc/48/12/84/1041481284.db2.gz YYQMVYSOTHFFOC-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP COc1cc(Cl)cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1OC ZINC001235976017 1041481291 /nfs/dbraw/zinc/48/12/91/1041481291.db2.gz YYQMVYSOTHFFOC-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP Cc1cncc(Br)c1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977108 1041482515 /nfs/dbraw/zinc/48/25/15/1041482515.db2.gz JOCDKKTTXMIQIF-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1cncc(Br)c1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977108 1041482519 /nfs/dbraw/zinc/48/25/19/1041482519.db2.gz JOCDKKTTXMIQIF-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1cc(Br)ncc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977545 1041482528 /nfs/dbraw/zinc/48/25/28/1041482528.db2.gz LZYBAOJZEVLPFN-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1cc(Br)ncc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977545 1041482535 /nfs/dbraw/zinc/48/25/35/1041482535.db2.gz LZYBAOJZEVLPFN-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)n1 ZINC001235979610 1041484321 /nfs/dbraw/zinc/48/43/21/1041484321.db2.gz NRIGAWPFJHCFNO-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)n1 ZINC001235979610 1041484328 /nfs/dbraw/zinc/48/43/28/1041484328.db2.gz NRIGAWPFJHCFNO-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCC3(CC2)OCCO3)c1 ZINC001256070683 1041507115 /nfs/dbraw/zinc/50/71/15/1041507115.db2.gz BCKKPPXQOIAMMC-UHFFFAOYSA-N 2 1 384.564 3.766 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2c3ccccc3n(C)c2-c2ccccc2)CC1 ZINC001236066884 1041518629 /nfs/dbraw/zinc/51/86/29/1041518629.db2.gz PRMCSNYHTMKGSB-JOCHJYFZSA-N 2 1 391.515 3.558 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC001236083539 1041526387 /nfs/dbraw/zinc/52/63/87/1041526387.db2.gz UAHQCLWCLXYGNW-UHFFFAOYSA-N 2 1 396.966 3.680 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001236091909 1041531064 /nfs/dbraw/zinc/53/10/64/1041531064.db2.gz AECXVIYOGNWMEP-XMMPIXPASA-N 2 1 393.575 3.555 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236098490 1041534065 /nfs/dbraw/zinc/53/40/65/1041534065.db2.gz QPIKRZRDFFGERI-PZJWPPBQSA-N 2 1 384.545 3.705 20 0 GHADMP C[C@H](c1ccccc1)[N@H+](C[C@H]1[C@@H](C)C[NH2+]CC1(F)F)[C@@H]1CN2CCC1CC2 ZINC001236159741 1041583458 /nfs/dbraw/zinc/58/34/58/1041583458.db2.gz XNRNOYBGQQAWBI-KJNZLNQQSA-N 2 1 377.523 3.635 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@H]1[C@@H](C)C[NH2+]CC1(F)F)[C@@H]1CN2CCC1CC2 ZINC001236159741 1041583466 /nfs/dbraw/zinc/58/34/66/1041583466.db2.gz XNRNOYBGQQAWBI-KJNZLNQQSA-N 2 1 377.523 3.635 20 0 GHADMP C[N@@H+](Cc1cc(Br)cc(Br)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224103 1041629692 /nfs/dbraw/zinc/62/96/92/1041629692.db2.gz SEMCMLRSUUEFOH-HDJSIYSDSA-N 2 1 376.136 3.913 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256234044 1041668806 /nfs/dbraw/zinc/66/88/06/1041668806.db2.gz DSKYHEAVQCVXMO-IYARVYRRSA-N 2 1 377.504 3.519 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001256240116 1041672247 /nfs/dbraw/zinc/67/22/47/1041672247.db2.gz FDZBYVUKEOFQKZ-FQEVSTJZSA-N 2 1 389.540 3.577 20 0 GHADMP Brc1cc2c(cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)OCO2 ZINC001236374427 1041686421 /nfs/dbraw/zinc/68/64/21/1041686421.db2.gz RFFMYQYTCWZMCN-CQSZACIVSA-N 2 1 395.341 3.922 20 0 GHADMP Brc1cc2c(cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1)OCO2 ZINC001236374427 1041686428 /nfs/dbraw/zinc/68/64/28/1041686428.db2.gz RFFMYQYTCWZMCN-CQSZACIVSA-N 2 1 395.341 3.922 20 0 GHADMP Brc1cccc2nc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cn21 ZINC001236376623 1041688792 /nfs/dbraw/zinc/68/87/92/1041688792.db2.gz UKTAKUURJFRDLJ-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP Brc1cccc2nc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cn21 ZINC001236376623 1041688800 /nfs/dbraw/zinc/68/88/00/1041688800.db2.gz UKTAKUURJFRDLJ-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP CC[N@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236409417 1041704847 /nfs/dbraw/zinc/70/48/47/1041704847.db2.gz UQRLZBVLZJOVRW-GFCCVEGCSA-N 2 1 381.236 3.779 20 0 GHADMP CC(C)(C)C[N@H+](Cc1cn2cc(Br)ccc2n1)C1CC[NH2+]CC1 ZINC001236457071 1041720553 /nfs/dbraw/zinc/72/05/53/1041720553.db2.gz HYZGZPZCMMBJDW-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cn2cc(Br)ccc2n1)C1CC[NH2+]CC1 ZINC001236457071 1041720562 /nfs/dbraw/zinc/72/05/62/1041720562.db2.gz HYZGZPZCMMBJDW-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1c[nH]c2cc(Br)cnc12)C1CC[NH2+]CC1 ZINC001236456695 1041720778 /nfs/dbraw/zinc/72/07/78/1041720778.db2.gz FDEJUWHMPBLGAL-UHFFFAOYSA-N 2 1 379.346 3.926 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC[NH2+]CC1 ZINC001236459743 1041722327 /nfs/dbraw/zinc/72/23/27/1041722327.db2.gz DWTROSLMNOKUTE-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC[NH2+]CC1 ZINC001236459743 1041722337 /nfs/dbraw/zinc/72/23/37/1041722337.db2.gz DWTROSLMNOKUTE-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COCC[N@@H+](C)Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC001236472364 1041731478 /nfs/dbraw/zinc/73/14/78/1041731478.db2.gz UODDZPHJCCFBGY-PKTZIBPZSA-N 2 1 377.532 3.980 20 0 GHADMP COCC[NH+](C)Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001236472364 1041731484 /nfs/dbraw/zinc/73/14/84/1041731484.db2.gz UODDZPHJCCFBGY-PKTZIBPZSA-N 2 1 377.532 3.980 20 0 GHADMP COCC[NH+](C)Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001236472364 1041731489 /nfs/dbraw/zinc/73/14/89/1041731489.db2.gz UODDZPHJCCFBGY-PKTZIBPZSA-N 2 1 377.532 3.980 20 0 GHADMP C[NH+]1CCC(C[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001236492423 1041738197 /nfs/dbraw/zinc/73/81/97/1041738197.db2.gz UEGAZHPOQBHKNA-UHFFFAOYSA-N 3 1 387.465 3.740 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256463454 1041744032 /nfs/dbraw/zinc/74/40/32/1041744032.db2.gz PMNSHLRMOOUPFB-LPHOPBHVSA-N 2 1 391.531 3.864 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256465532 1041746035 /nfs/dbraw/zinc/74/60/35/1041746035.db2.gz VMGMEOZLGAOCQS-MLYOOKFZSA-N 2 1 395.588 3.525 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001256472475 1041750858 /nfs/dbraw/zinc/75/08/58/1041750858.db2.gz CXIMAFZEDBFBSM-AEFFLSMTSA-N 2 1 388.556 3.717 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542910 1041757552 /nfs/dbraw/zinc/75/75/52/1041757552.db2.gz XAAVHXSNWCYBNZ-WGSAOQKQSA-N 3 1 376.614 3.791 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3ncnc(Cl)c23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544189 1041757606 /nfs/dbraw/zinc/75/76/06/1041757606.db2.gz FTYNSNRZUMIEEC-QAQDUYKDSA-N 2 1 399.926 3.844 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552275 1041759261 /nfs/dbraw/zinc/75/92/61/1041759261.db2.gz TZPDHIZYSWSRKA-SHTZXODSSA-N 2 1 397.357 3.948 20 0 GHADMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553685 1041760149 /nfs/dbraw/zinc/76/01/49/1041760149.db2.gz QTJBQKOWSZICLW-QTTNWMCISA-N 2 1 394.600 3.741 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1 ZINC001236557231 1041761575 /nfs/dbraw/zinc/76/15/75/1041761575.db2.gz UCCRRLIVVJBIJN-IBGZPJMESA-N 2 1 392.547 3.511 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1 ZINC001236557231 1041761579 /nfs/dbraw/zinc/76/15/79/1041761579.db2.gz UCCRRLIVVJBIJN-IBGZPJMESA-N 2 1 392.547 3.511 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236728635 1041860564 /nfs/dbraw/zinc/86/05/64/1041860564.db2.gz FKTOWHOILLMKKQ-RQNOJGIXSA-N 3 1 392.591 3.677 20 0 GHADMP COc1cc(Br)cnc1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768148 1041881164 /nfs/dbraw/zinc/88/11/64/1041881164.db2.gz RUCATQMZGMJPLU-SHTZXODSSA-N 2 1 384.362 3.971 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@H]12 ZINC001236832628 1041921461 /nfs/dbraw/zinc/92/14/61/1041921461.db2.gz WGMTUEUAFNMKAL-JCGIZDLHSA-N 2 1 377.410 3.816 20 0 GHADMP CCC[N@H+](Cc1ccc(Br)c2ccc(OC)nc12)C[C@@H]1CC[NH2+]C1 ZINC001236845044 1041926397 /nfs/dbraw/zinc/92/63/97/1041926397.db2.gz YFRJCTZTGTVAOO-CQSZACIVSA-N 2 1 392.341 3.827 20 0 GHADMP c1ncn(-c2cccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c2)n1 ZINC001236886347 1041940558 /nfs/dbraw/zinc/94/05/58/1041940558.db2.gz ZBHFJOWVXOQXLQ-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP Clc1nc(N2CCCC2)sc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962125 1041970732 /nfs/dbraw/zinc/97/07/32/1041970732.db2.gz VKFZITZLVJWMJT-UHFFFAOYSA-N 2 1 383.005 3.998 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC(c4ccc(O)cc4)CC3)ccc2F)CC1 ZINC001236969250 1041972865 /nfs/dbraw/zinc/97/28/65/1041972865.db2.gz XNFSVSQJCGRVHO-UHFFFAOYSA-N 2 1 383.511 3.663 20 0 GHADMP FC(F)(F)c1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cnc2n1CC[NH2+]CC2 ZINC001236976676 1041974910 /nfs/dbraw/zinc/97/49/10/1041974910.db2.gz SELAIDJPRBZZKO-SFHVURJKSA-N 2 1 378.442 3.775 20 0 GHADMP FC(F)(F)c1ccccc1[C@@H]1CCCC[N@H+]1Cc1cnc2n1CC[NH2+]CC2 ZINC001236976676 1041974911 /nfs/dbraw/zinc/97/49/11/1041974911.db2.gz SELAIDJPRBZZKO-SFHVURJKSA-N 2 1 378.442 3.775 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237081782 1042027748 /nfs/dbraw/zinc/02/77/48/1042027748.db2.gz MKLUONYGSNQQRI-QHCPKHFHSA-N 2 1 382.504 3.613 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237081782 1042027750 /nfs/dbraw/zinc/02/77/50/1042027750.db2.gz MKLUONYGSNQQRI-QHCPKHFHSA-N 2 1 382.504 3.613 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)c1 ZINC001237178487 1042080022 /nfs/dbraw/zinc/08/00/22/1042080022.db2.gz DMQDVTQJZGLIKT-HXUWFJFHSA-N 2 1 387.321 3.748 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc4cccccc3-4)CC[C@@H]21 ZINC001237184937 1042082797 /nfs/dbraw/zinc/08/27/97/1042082797.db2.gz YPCGJOBWIKNZOM-GPXNEJASSA-N 2 1 389.547 3.756 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc4cccccc3-4)CC[C@@H]21 ZINC001237184937 1042082800 /nfs/dbraw/zinc/08/28/00/1042082800.db2.gz YPCGJOBWIKNZOM-GPXNEJASSA-N 2 1 389.547 3.756 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc4cccccc3-4)CC[C@@H]21 ZINC001237184937 1042082807 /nfs/dbraw/zinc/08/28/07/1042082807.db2.gz YPCGJOBWIKNZOM-GPXNEJASSA-N 2 1 389.547 3.756 20 0 GHADMP OCCOc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001237197521 1042088830 /nfs/dbraw/zinc/08/88/30/1042088830.db2.gz JMFFSCJVFNTCRS-UHFFFAOYSA-N 2 1 380.532 3.546 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@@H]4Nc5ccc(Cl)cc5[C@H]4C3)c2)CC1 ZINC001237252019 1042108927 /nfs/dbraw/zinc/10/89/27/1042108927.db2.gz ZLCVOTWTANXLJS-GGAORHGYSA-N 2 1 396.966 3.875 20 0 GHADMP c1c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263293 1042112284 /nfs/dbraw/zinc/11/22/84/1042112284.db2.gz BZMMKSKLZDMMPJ-UXHICEINSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263293 1042112287 /nfs/dbraw/zinc/11/22/87/1042112287.db2.gz BZMMKSKLZDMMPJ-UXHICEINSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263293 1042112293 /nfs/dbraw/zinc/11/22/93/1042112293.db2.gz BZMMKSKLZDMMPJ-UXHICEINSA-N 3 1 381.589 3.738 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)F)c(OC)c1)C2 ZINC001237273052 1042117562 /nfs/dbraw/zinc/11/75/62/1042117562.db2.gz QHUKCUPMYUKBEF-GCJKJVERSA-N 2 1 394.506 3.813 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)F)c(OC)c1)C2 ZINC001237273052 1042117568 /nfs/dbraw/zinc/11/75/68/1042117568.db2.gz QHUKCUPMYUKBEF-GCJKJVERSA-N 2 1 394.506 3.813 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(F)F)c(OC)c1)C2 ZINC001237273052 1042117579 /nfs/dbraw/zinc/11/75/79/1042117579.db2.gz QHUKCUPMYUKBEF-GCJKJVERSA-N 2 1 394.506 3.813 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(F)F)c(OC)c1)C2 ZINC001237273052 1042117587 /nfs/dbraw/zinc/11/75/87/1042117587.db2.gz QHUKCUPMYUKBEF-GCJKJVERSA-N 2 1 394.506 3.813 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC4(CC3)[NH2+]Cc3ccccc34)C2)cc1 ZINC001237360528 1042169022 /nfs/dbraw/zinc/16/90/22/1042169022.db2.gz ZNTYGHCKAATQAG-QFIPXVFZSA-N 2 1 375.560 3.993 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnc(-c3ccccc3)o1)C2 ZINC001237363616 1042171801 /nfs/dbraw/zinc/17/18/01/1042171801.db2.gz CNDYIVYTBLIRHJ-REWPJTCUSA-N 2 1 381.520 3.522 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnc(-c3ccccc3)o1)C2 ZINC001237363616 1042171805 /nfs/dbraw/zinc/17/18/05/1042171805.db2.gz CNDYIVYTBLIRHJ-REWPJTCUSA-N 2 1 381.520 3.522 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC001237363616 1042171809 /nfs/dbraw/zinc/17/18/09/1042171809.db2.gz CNDYIVYTBLIRHJ-REWPJTCUSA-N 2 1 381.520 3.522 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC001237363616 1042171812 /nfs/dbraw/zinc/17/18/12/1042171812.db2.gz CNDYIVYTBLIRHJ-REWPJTCUSA-N 2 1 381.520 3.522 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001237437888 1042207456 /nfs/dbraw/zinc/20/74/56/1042207456.db2.gz UAHMEHSFTMRZJM-CUWPLCDZSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001237437888 1042207462 /nfs/dbraw/zinc/20/74/62/1042207462.db2.gz UAHMEHSFTMRZJM-CUWPLCDZSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001237437888 1042207469 /nfs/dbraw/zinc/20/74/69/1042207469.db2.gz UAHMEHSFTMRZJM-CUWPLCDZSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001237437888 1042207475 /nfs/dbraw/zinc/20/74/75/1042207475.db2.gz UAHMEHSFTMRZJM-CUWPLCDZSA-N 2 1 399.560 3.662 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5c(F)cccc45)C[C@@H]3C2)cn1 ZINC001237513809 1042245038 /nfs/dbraw/zinc/24/50/38/1042245038.db2.gz MDOSAMGGRVSQTH-QUCCMNQESA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c(F)cccc45)C[C@@H]3C2)cn1 ZINC001237513809 1042245044 /nfs/dbraw/zinc/24/50/44/1042245044.db2.gz MDOSAMGGRVSQTH-QUCCMNQESA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c(F)cccc45)C[C@@H]3C2)cn1 ZINC001237513809 1042245047 /nfs/dbraw/zinc/24/50/47/1042245047.db2.gz MDOSAMGGRVSQTH-QUCCMNQESA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c(F)cccc45)C[C@@H]3C2)cn1 ZINC001237513809 1042245050 /nfs/dbraw/zinc/24/50/50/1042245050.db2.gz MDOSAMGGRVSQTH-QUCCMNQESA-N 2 1 378.495 3.666 20 0 GHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722764 1042342392 /nfs/dbraw/zinc/34/23/92/1042342392.db2.gz YUEXOTKKYPPZNP-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722764 1042342396 /nfs/dbraw/zinc/34/23/96/1042342396.db2.gz YUEXOTKKYPPZNP-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722764 1042342402 /nfs/dbraw/zinc/34/24/02/1042342402.db2.gz YUEXOTKKYPPZNP-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722764 1042342412 /nfs/dbraw/zinc/34/24/12/1042342412.db2.gz YUEXOTKKYPPZNP-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP CCOC[C@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237876935 1042405743 /nfs/dbraw/zinc/40/57/43/1042405743.db2.gz KPTBBSINEDOHJW-LJQANCHMSA-N 2 1 380.536 3.553 20 0 GHADMP CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237876935 1042405747 /nfs/dbraw/zinc/40/57/47/1042405747.db2.gz KPTBBSINEDOHJW-LJQANCHMSA-N 2 1 380.536 3.553 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](F)[C@](O)(C(F)(F)F)CC3)cc21 ZINC001237880975 1042407322 /nfs/dbraw/zinc/40/73/22/1042407322.db2.gz LQHBWOJOSFXFNX-MJGOQNOKSA-N 2 1 386.433 3.915 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)cc21 ZINC001237881944 1042408030 /nfs/dbraw/zinc/40/80/30/1042408030.db2.gz MRRNKAFWKUURKU-PZJWPPBQSA-N 2 1 391.515 3.627 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](OCC(=O)NC(C)(C)C)C3)cc21 ZINC001237886687 1042410201 /nfs/dbraw/zinc/41/02/01/1042410201.db2.gz PUZCYWLDRGEXDP-HXUWFJFHSA-N 2 1 399.579 3.584 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001238446845 1042598715 /nfs/dbraw/zinc/59/87/15/1042598715.db2.gz QPMNWTQLORUEGI-UHFFFAOYSA-N 2 1 396.373 3.939 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccnc(N3CC[NH+](C)CC3)c2)nc1 ZINC001238820142 1042738485 /nfs/dbraw/zinc/73/84/85/1042738485.db2.gz YEPTZLMUXDBZNH-JOCHJYFZSA-N 2 1 379.552 3.832 20 0 GHADMP Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001239213510 1042787210 /nfs/dbraw/zinc/78/72/10/1042787210.db2.gz AUQHIKVLXDWJNK-OAQYLSRUSA-N 2 1 392.547 3.618 20 0 GHADMP O=C(c1ccc(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1)N1CC[NH2+]CC1 ZINC001240132279 1042894708 /nfs/dbraw/zinc/89/47/08/1042894708.db2.gz LHIIUCORYXFWNB-UHFFFAOYSA-N 2 1 397.522 3.915 20 0 GHADMP C[NH+]1CCN(Cc2cccc(-c3ccc(CO[C@@H]4CCCC[C@H]4[NH3+])cc3)c2)CC1 ZINC001240299608 1042919931 /nfs/dbraw/zinc/91/99/31/1042919931.db2.gz QLYOZZLSOQQJHM-JWQCQUIFSA-N 2 1 393.575 3.888 20 0 GHADMP C[NH+](C)CCc1c[nH]c2ccc(-c3cccc(CN4CC[NH+](C)CC4)c3)cc12 ZINC001240305809 1042920281 /nfs/dbraw/zinc/92/02/81/1042920281.db2.gz RFHIPUXIWNGDFG-UHFFFAOYSA-N 2 1 376.548 3.686 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256484419 1043420583 /nfs/dbraw/zinc/42/05/83/1043420583.db2.gz DSEJDXJFRFHKMD-PKOBYXMFSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256528338 1043458300 /nfs/dbraw/zinc/45/83/00/1043458300.db2.gz ZVDPZFBIRVWRQZ-ICGSVKGVSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256528338 1043458315 /nfs/dbraw/zinc/45/83/15/1043458315.db2.gz ZVDPZFBIRVWRQZ-ICGSVKGVSA-N 2 1 399.579 3.885 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528560 1043458812 /nfs/dbraw/zinc/45/88/12/1043458812.db2.gz HCRNQSWKMFCWTM-MISYRCLQSA-N 2 1 375.557 3.932 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528560 1043458813 /nfs/dbraw/zinc/45/88/13/1043458813.db2.gz HCRNQSWKMFCWTM-MISYRCLQSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530611 1043460553 /nfs/dbraw/zinc/46/05/53/1043460553.db2.gz CUFCCOLOUDPOCJ-ZJSXRUAMSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530611 1043460558 /nfs/dbraw/zinc/46/05/58/1043460558.db2.gz CUFCCOLOUDPOCJ-ZJSXRUAMSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536556 1043480142 /nfs/dbraw/zinc/48/01/42/1043480142.db2.gz FCJWWKUVGZDVGC-PSWRPDDJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536556 1043480161 /nfs/dbraw/zinc/48/01/61/1043480161.db2.gz FCJWWKUVGZDVGC-PSWRPDDJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256536556 1043480169 /nfs/dbraw/zinc/48/01/69/1043480169.db2.gz FCJWWKUVGZDVGC-PSWRPDDJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256536556 1043480180 /nfs/dbraw/zinc/48/01/80/1043480180.db2.gz FCJWWKUVGZDVGC-PSWRPDDJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H](N2CCC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538386 1043483004 /nfs/dbraw/zinc/48/30/04/1043483004.db2.gz SRTMSMCQWOHINA-URXFXBBRSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@H]1C[C@@H](N2CCC[N@H+](Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538386 1043483025 /nfs/dbraw/zinc/48/30/25/1043483025.db2.gz SRTMSMCQWOHINA-URXFXBBRSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@H]1C[C@@H](N2CCC[N@@H+](Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538386 1043483040 /nfs/dbraw/zinc/48/30/40/1043483040.db2.gz SRTMSMCQWOHINA-URXFXBBRSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542632 1043496945 /nfs/dbraw/zinc/49/69/45/1043496945.db2.gz PNHBUOWCGIDFHS-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542632 1043496948 /nfs/dbraw/zinc/49/69/48/1043496948.db2.gz PNHBUOWCGIDFHS-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542632 1043496955 /nfs/dbraw/zinc/49/69/55/1043496955.db2.gz PNHBUOWCGIDFHS-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542632 1043496981 /nfs/dbraw/zinc/49/69/81/1043496981.db2.gz PNHBUOWCGIDFHS-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548849 1043511838 /nfs/dbraw/zinc/51/18/38/1043511838.db2.gz ZAHXCLASKZXYCE-KMQSCTNJSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256548849 1043511850 /nfs/dbraw/zinc/51/18/50/1043511850.db2.gz ZAHXCLASKZXYCE-KMQSCTNJSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548849 1043511867 /nfs/dbraw/zinc/51/18/67/1043511867.db2.gz ZAHXCLASKZXYCE-KMQSCTNJSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548849 1043511876 /nfs/dbraw/zinc/51/18/76/1043511876.db2.gz ZAHXCLASKZXYCE-KMQSCTNJSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@H]1C[C@@H](n2nc(C(F)(F)F)c3c2C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001256552543 1043517964 /nfs/dbraw/zinc/51/79/64/1043517964.db2.gz BQXQKRPLZOLCHC-HOCLYGCPSA-N 2 1 378.442 3.773 20 0 GHADMP C[C@@H]1C[C@@H](n2nc(C(F)(F)F)c3c2C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001256552544 1043518252 /nfs/dbraw/zinc/51/82/52/1043518252.db2.gz BQXQKRPLZOLCHC-ZBFHGGJFSA-N 2 1 378.442 3.773 20 0 GHADMP C[C@H]1C[C@H](N(c2ccncc2F)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552694 1043519434 /nfs/dbraw/zinc/51/94/34/1043519434.db2.gz CHCYZGWUWDOHTC-GHTZIAJQSA-N 2 1 382.527 3.832 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557302 1043526917 /nfs/dbraw/zinc/52/69/17/1043526917.db2.gz LSJWMXBFNFSAAK-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256557302 1043526924 /nfs/dbraw/zinc/52/69/24/1043526924.db2.gz LSJWMXBFNFSAAK-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001256559023 1043531786 /nfs/dbraw/zinc/53/17/86/1043531786.db2.gz XSEYAMRIOPQZMP-GMHONNGPSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001256559023 1043531801 /nfs/dbraw/zinc/53/18/01/1043531801.db2.gz XSEYAMRIOPQZMP-GMHONNGPSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001256559023 1043531811 /nfs/dbraw/zinc/53/18/11/1043531811.db2.gz XSEYAMRIOPQZMP-GMHONNGPSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001256559023 1043531822 /nfs/dbraw/zinc/53/18/22/1043531822.db2.gz XSEYAMRIOPQZMP-GMHONNGPSA-N 2 1 392.543 3.928 20 0 GHADMP Cc1cc(C)nc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256560914 1043535262 /nfs/dbraw/zinc/53/52/62/1043535262.db2.gz URSWPTDOHIWFSY-OFNKIYASSA-N 2 1 393.579 3.705 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC001256575338 1043548407 /nfs/dbraw/zinc/54/84/07/1043548407.db2.gz MAJIPVCTZQQZSR-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001292012263 1043565417 /nfs/dbraw/zinc/56/54/17/1043565417.db2.gz XRABUDHXFKBXOI-CIAFKFPVSA-N 2 1 399.623 3.812 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001256730847 1043639583 /nfs/dbraw/zinc/63/95/83/1043639583.db2.gz IGGCNCHAYFPRGG-HSQYWUDLSA-N 2 1 381.520 3.571 20 0 GHADMP c1cncc(OC[C@@]23CCC[C@@H]2C[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)c1 ZINC001256858740 1043706125 /nfs/dbraw/zinc/70/61/25/1043706125.db2.gz ATHBSPQLJLDEEI-XXBNENTESA-N 2 1 378.520 3.627 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894799 1043727752 /nfs/dbraw/zinc/72/77/52/1043727752.db2.gz MUSLGRPNEPVTSS-WERVVEIQSA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894799 1043727766 /nfs/dbraw/zinc/72/77/66/1043727766.db2.gz MUSLGRPNEPVTSS-WERVVEIQSA-N 2 1 391.600 3.876 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256904285 1043732444 /nfs/dbraw/zinc/73/24/44/1043732444.db2.gz FQPJFSKQUNTUAI-HXUWFJFHSA-N 2 1 393.579 3.843 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256904285 1043732457 /nfs/dbraw/zinc/73/24/57/1043732457.db2.gz FQPJFSKQUNTUAI-HXUWFJFHSA-N 2 1 393.579 3.843 20 0 GHADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001292812084 1043890644 /nfs/dbraw/zinc/89/06/44/1043890644.db2.gz SXZJOUWNMHBSKK-NHCUHLMSSA-N 2 1 397.588 3.518 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2CCN(c3[nH+]cccc3C)CC2)cc1 ZINC001257156519 1043904647 /nfs/dbraw/zinc/90/46/47/1043904647.db2.gz PXBFQNNPKQWNMX-SFHVURJKSA-N 2 1 381.520 3.756 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160835 1043907665 /nfs/dbraw/zinc/90/76/65/1043907665.db2.gz RDIPIUKYGPHZAN-YYWHXJBOSA-N 2 1 398.572 3.920 20 0 GHADMP CC(C)OC1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CC1 ZINC001257880966 1044239428 /nfs/dbraw/zinc/23/94/28/1044239428.db2.gz YZAXRGRSCDYLGH-UHFFFAOYSA-N 2 1 376.541 3.683 20 0 GHADMP CC(C)OC1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CC1 ZINC001257880966 1044239447 /nfs/dbraw/zinc/23/94/47/1044239447.db2.gz YZAXRGRSCDYLGH-UHFFFAOYSA-N 2 1 376.541 3.683 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](C3CC[NH+](CC(C)C)CC3)C1)C2 ZINC001258018266 1044343987 /nfs/dbraw/zinc/34/39/87/1044343987.db2.gz ZSIUFNHRXYPUSX-HYBUGGRVSA-N 2 1 384.564 3.702 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001258031477 1044355771 /nfs/dbraw/zinc/35/57/71/1044355771.db2.gz SARBJLLVDHAXDT-FXSDRFNOSA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)CC1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001258031477 1044355784 /nfs/dbraw/zinc/35/57/84/1044355784.db2.gz SARBJLLVDHAXDT-FXSDRFNOSA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001258031477 1044355798 /nfs/dbraw/zinc/35/57/98/1044355798.db2.gz SARBJLLVDHAXDT-FXSDRFNOSA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001258031477 1044355813 /nfs/dbraw/zinc/35/58/13/1044355813.db2.gz SARBJLLVDHAXDT-FXSDRFNOSA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001258031477 1044355831 /nfs/dbraw/zinc/35/58/31/1044355831.db2.gz SARBJLLVDHAXDT-FXSDRFNOSA-N 2 1 376.566 3.624 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258063218 1044375135 /nfs/dbraw/zinc/37/51/35/1044375135.db2.gz FDZXTLWAEAHVQQ-OALUTQOASA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258063218 1044375153 /nfs/dbraw/zinc/37/51/53/1044375153.db2.gz FDZXTLWAEAHVQQ-OALUTQOASA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258063218 1044375166 /nfs/dbraw/zinc/37/51/66/1044375166.db2.gz FDZXTLWAEAHVQQ-OALUTQOASA-N 2 1 376.589 3.750 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC001258138062 1044423836 /nfs/dbraw/zinc/42/38/36/1044423836.db2.gz RRUIFFCOARWPJK-VWLOTQADSA-N 2 1 377.576 3.866 20 0 GHADMP Cc1ccc(C2(O)CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC001258140777 1044427730 /nfs/dbraw/zinc/42/77/30/1044427730.db2.gz HWQWPFUYFQXPDS-UHFFFAOYSA-N 2 1 378.560 3.986 20 0 GHADMP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001258149091 1044439690 /nfs/dbraw/zinc/43/96/90/1044439690.db2.gz XIYBXYWTDMXGGT-NQIIRXRSSA-N 2 1 387.568 3.539 20 0 GHADMP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001258149091 1044439698 /nfs/dbraw/zinc/43/96/98/1044439698.db2.gz XIYBXYWTDMXGGT-NQIIRXRSSA-N 2 1 387.568 3.539 20 0 GHADMP Cc1cccnc1O[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258149872 1044441669 /nfs/dbraw/zinc/44/16/69/1044441669.db2.gz RLFSWRYWWIDVGP-HSZRJFAPSA-N 2 1 379.548 3.940 20 0 GHADMP Cc1cccnc1O[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258149872 1044441676 /nfs/dbraw/zinc/44/16/76/1044441676.db2.gz RLFSWRYWWIDVGP-HSZRJFAPSA-N 2 1 379.548 3.940 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001294139770 1044492605 /nfs/dbraw/zinc/49/26/05/1044492605.db2.gz QCMBPYGVQSAGCZ-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001294139770 1044492613 /nfs/dbraw/zinc/49/26/13/1044492613.db2.gz QCMBPYGVQSAGCZ-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001294139770 1044492624 /nfs/dbraw/zinc/49/26/24/1044492624.db2.gz QCMBPYGVQSAGCZ-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001258342559 1044517657 /nfs/dbraw/zinc/51/76/57/1044517657.db2.gz KTCVLOVVAQAJPE-IBGZPJMESA-N 2 1 391.625 3.916 20 0 GHADMP CCCC[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001294224707 1044533858 /nfs/dbraw/zinc/53/38/58/1044533858.db2.gz XKHQKHJSXOEDRA-UHFFFAOYSA-N 2 1 390.620 3.588 20 0 GHADMP CCCC[NH+](C)CCn1c(C2CCCC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001294224707 1044533871 /nfs/dbraw/zinc/53/38/71/1044533871.db2.gz XKHQKHJSXOEDRA-UHFFFAOYSA-N 2 1 390.620 3.588 20 0 GHADMP CCCC[NH+](C)CCn1c(C2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294224707 1044533883 /nfs/dbraw/zinc/53/38/83/1044533883.db2.gz XKHQKHJSXOEDRA-UHFFFAOYSA-N 2 1 390.620 3.588 20 0 GHADMP CC1(C)COC2(CCC([N@@H+](Cc3cccnc3)[C@H]3CC[C@H]([NH3+])CC3)CC2)OC1 ZINC001258521647 1044598482 /nfs/dbraw/zinc/59/84/82/1044598482.db2.gz YQLAATLACVGLRB-MXVIHJGJSA-N 2 1 387.568 3.865 20 0 GHADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001258745958 1044740912 /nfs/dbraw/zinc/74/09/12/1044740912.db2.gz ACVYLDBXJSTBEE-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001258745958 1044740935 /nfs/dbraw/zinc/74/09/35/1044740935.db2.gz ACVYLDBXJSTBEE-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@H](Cc1cccc(Cl)c1)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001258745958 1044740941 /nfs/dbraw/zinc/74/09/41/1044740941.db2.gz ACVYLDBXJSTBEE-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@H](C(=O)Nc2ccc3oc(=O)cc(C)c3c2)C(C)C)CC1 ZINC001258770678 1044756507 /nfs/dbraw/zinc/75/65/07/1044756507.db2.gz MYPPALOPTGYFEV-QFIPXVFZSA-N 2 1 399.535 3.529 20 0 GHADMP COc1cc(C[C@H](C)[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC001258878490 1044827880 /nfs/dbraw/zinc/82/78/80/1044827880.db2.gz TZIBJLGJTBOBMM-KRWDZBQOSA-N 2 1 376.541 3.594 20 0 GHADMP CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001258910090 1044862617 /nfs/dbraw/zinc/86/26/17/1044862617.db2.gz NOFJZNCDPLUMBJ-SFHVURJKSA-N 2 1 376.589 3.698 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001258911031 1044866069 /nfs/dbraw/zinc/86/60/69/1044866069.db2.gz ZGDKYNSKNNRUJK-DENIHFKCSA-N 2 1 397.604 3.599 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001261492847 1046005945 /nfs/dbraw/zinc/00/59/45/1046005945.db2.gz XENKEHKCIFLWRL-UHFFFAOYSA-N 2 1 380.414 3.721 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCCC4)o3)C2)c1 ZINC001301782001 1046699326 /nfs/dbraw/zinc/69/93/26/1046699326.db2.gz IPAYJVUVRBEKMQ-HXUWFJFHSA-N 2 1 381.520 3.578 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606660116 1047327382 /nfs/dbraw/zinc/32/73/82/1047327382.db2.gz QOHXSSVNVVRZLW-GOTSBHOMSA-N 2 1 398.595 3.701 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389219424 1047417417 /nfs/dbraw/zinc/41/74/17/1047417417.db2.gz CTDTWXJQSUHBCQ-REWPJTCUSA-N 2 1 376.585 3.835 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001303756544 1047505608 /nfs/dbraw/zinc/50/56/08/1047505608.db2.gz RZXXBBMIKXCXAG-HXUWFJFHSA-N 2 1 389.971 3.781 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001303756544 1047505617 /nfs/dbraw/zinc/50/56/17/1047505617.db2.gz RZXXBBMIKXCXAG-HXUWFJFHSA-N 2 1 389.971 3.781 20 0 GHADMP CC(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000393405892 1047676538 /nfs/dbraw/zinc/67/65/38/1047676538.db2.gz RQUPAQOKVUCNHY-FQEVSTJZSA-N 2 1 375.557 3.790 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(O)cc3F)C[C@H]2CC1 ZINC001279227121 1047744946 /nfs/dbraw/zinc/74/49/46/1047744946.db2.gz KOVQTYDGHHIBCW-IYBDPMFKSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3F)C[C@H]2CC1 ZINC001279227121 1047744948 /nfs/dbraw/zinc/74/49/48/1047744948.db2.gz KOVQTYDGHHIBCW-IYBDPMFKSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(O)cc3F)C[C@H]2CC1 ZINC001279227121 1047744954 /nfs/dbraw/zinc/74/49/54/1047744954.db2.gz KOVQTYDGHHIBCW-IYBDPMFKSA-N 2 1 375.513 3.640 20 0 GHADMP COc1cc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c(F)cc1Cl ZINC001279298357 1047759135 /nfs/dbraw/zinc/75/91/35/1047759135.db2.gz VYJMZOHISGYPTI-UXHICEINSA-N 2 1 383.939 3.574 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)c(Cl)c1Cl ZINC001279301123 1047760041 /nfs/dbraw/zinc/76/00/41/1047760041.db2.gz BJVSIMODXOEBPH-UHFFFAOYSA-N 2 1 398.378 3.678 20 0 GHADMP Fc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)c(Cl)c1 ZINC001279332792 1047770843 /nfs/dbraw/zinc/77/08/43/1047770843.db2.gz AOTQFLXYKDGVDG-UXHICEINSA-N 2 1 376.907 3.900 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)ccc3Cl)C[C@H]2CC1 ZINC001279350507 1047776487 /nfs/dbraw/zinc/77/64/87/1047776487.db2.gz GVLZKTFIUMLXLQ-IYBDPMFKSA-N 2 1 387.351 3.758 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@H]2CC1 ZINC001279350507 1047776490 /nfs/dbraw/zinc/77/64/90/1047776490.db2.gz GVLZKTFIUMLXLQ-IYBDPMFKSA-N 2 1 387.351 3.758 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@H]2CC1 ZINC001279350507 1047776493 /nfs/dbraw/zinc/77/64/93/1047776493.db2.gz GVLZKTFIUMLXLQ-IYBDPMFKSA-N 2 1 387.351 3.758 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1Br ZINC001279363588 1047780821 /nfs/dbraw/zinc/78/08/21/1047780821.db2.gz YBDJTLQURYEMME-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579447 1047847248 /nfs/dbraw/zinc/84/72/48/1047847248.db2.gz LUBRORKZHVHJFP-IIZPIQPGSA-N 2 1 375.988 3.649 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579447 1047847258 /nfs/dbraw/zinc/84/72/58/1047847258.db2.gz LUBRORKZHVHJFP-IIZPIQPGSA-N 2 1 375.988 3.649 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579447 1047847277 /nfs/dbraw/zinc/84/72/77/1047847277.db2.gz LUBRORKZHVHJFP-IIZPIQPGSA-N 2 1 375.988 3.649 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579447 1047847294 /nfs/dbraw/zinc/84/72/94/1047847294.db2.gz LUBRORKZHVHJFP-IIZPIQPGSA-N 2 1 375.988 3.649 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579447 1047847313 /nfs/dbraw/zinc/84/73/13/1047847313.db2.gz LUBRORKZHVHJFP-IIZPIQPGSA-N 2 1 375.988 3.649 20 0 GHADMP COc1c(Cl)ccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c1F ZINC001279612617 1047869635 /nfs/dbraw/zinc/86/96/35/1047869635.db2.gz TUOFSNFEVRLBPC-UXHICEINSA-N 2 1 383.939 3.574 20 0 GHADMP Cc1c(Br)cccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001279638443 1047883368 /nfs/dbraw/zinc/88/33/68/1047883368.db2.gz FBTBUHZMSUCLQR-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP CC(C)c1ccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c(Cl)n1 ZINC001280185461 1048120513 /nfs/dbraw/zinc/12/05/13/1048120513.db2.gz SDNHQUJHNJPYFC-RTWAWAEBSA-N 2 1 378.992 3.945 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480378 1048232710 /nfs/dbraw/zinc/23/27/10/1048232710.db2.gz DBSFKAIKTPJATR-VCDBXAJLSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCN[C@@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480378 1048232722 /nfs/dbraw/zinc/23/27/22/1048232722.db2.gz DBSFKAIKTPJATR-VCDBXAJLSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCN[C@@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480378 1048232731 /nfs/dbraw/zinc/23/27/31/1048232731.db2.gz DBSFKAIKTPJATR-VCDBXAJLSA-N 2 1 375.560 3.980 20 0 GHADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC001307432623 1049268999 /nfs/dbraw/zinc/26/89/99/1049268999.db2.gz VVHDXEVEHCOLRR-IMSXRSKXSA-N 2 1 385.596 3.746 20 0 GHADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC(C)(C)C1 ZINC001307606777 1049445921 /nfs/dbraw/zinc/44/59/21/1049445921.db2.gz QDPOSFJXGBQIMS-FXAWDEMLSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC(C)(C)C1 ZINC001307606777 1049445928 /nfs/dbraw/zinc/44/59/28/1049445928.db2.gz QDPOSFJXGBQIMS-FXAWDEMLSA-N 2 1 391.987 3.961 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC001307711099 1049525436 /nfs/dbraw/zinc/52/54/36/1049525436.db2.gz YKXGSCCDWJHLPH-WMZOPIPTSA-N 2 1 388.474 3.854 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC001307711099 1049525448 /nfs/dbraw/zinc/52/54/48/1049525448.db2.gz YKXGSCCDWJHLPH-WMZOPIPTSA-N 2 1 388.474 3.854 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC001307711099 1049525467 /nfs/dbraw/zinc/52/54/67/1049525467.db2.gz YKXGSCCDWJHLPH-WMZOPIPTSA-N 2 1 388.474 3.854 20 0 GHADMP CCN1C[C@@H](C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC001307825837 1049619707 /nfs/dbraw/zinc/61/97/07/1049619707.db2.gz QRODOQJLFXDCTD-XZOQPEGZSA-N 2 1 399.579 3.984 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1)c1ccccc1 ZINC001307865593 1049646425 /nfs/dbraw/zinc/64/64/25/1049646425.db2.gz JQHGTIPPCZPBOS-UPVQGACJSA-N 2 1 397.538 3.642 20 0 GHADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC001307923238 1049698973 /nfs/dbraw/zinc/69/89/73/1049698973.db2.gz GBEFZHJWMHNVGL-GOSISDBHSA-N 2 1 383.374 3.899 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC001307923238 1049698981 /nfs/dbraw/zinc/69/89/81/1049698981.db2.gz GBEFZHJWMHNVGL-GOSISDBHSA-N 2 1 383.374 3.899 20 0 GHADMP C[N@H+]1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC001290337624 1049806743 /nfs/dbraw/zinc/80/67/43/1049806743.db2.gz QSKPJSTWPATEIU-RPWUZVMVSA-N 2 1 391.559 3.634 20 0 GHADMP CCOC(=O)N[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)CC(C)C ZINC001308195996 1049908198 /nfs/dbraw/zinc/90/81/98/1049908198.db2.gz HHQUHEQNSTYBLL-NHCUHLMSSA-N 2 1 387.568 3.934 20 0 GHADMP CCOC(=O)N[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)CC(C)C ZINC001308195996 1049908202 /nfs/dbraw/zinc/90/82/02/1049908202.db2.gz HHQUHEQNSTYBLL-NHCUHLMSSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC001290908196 1049950232 /nfs/dbraw/zinc/95/02/32/1049950232.db2.gz JLSCUPWBXWQNKO-LJQANCHMSA-N 2 1 383.580 3.942 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC001308338674 1049952936 /nfs/dbraw/zinc/95/29/36/1049952936.db2.gz CSZXURNRJAKPSR-INIZCTEOSA-N 2 1 376.495 3.823 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Br)c(Br)c3)[C@@H]2C1 ZINC001308555766 1050007494 /nfs/dbraw/zinc/00/74/94/1050007494.db2.gz XPVLRXXJWMMYBA-YWPYICTPSA-N 2 1 388.147 3.641 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)cc1 ZINC001328492214 1050528295 /nfs/dbraw/zinc/52/82/95/1050528295.db2.gz MEBDVLDKDZIESY-UHFFFAOYSA-N 2 1 385.533 3.562 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N3CCC[NH+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC001330791001 1051107402 /nfs/dbraw/zinc/10/74/02/1051107402.db2.gz STSQRGSLSDBQHD-QGZVFWFLSA-N 2 1 399.564 3.593 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC001330791001 1051107412 /nfs/dbraw/zinc/10/74/12/1051107412.db2.gz STSQRGSLSDBQHD-QGZVFWFLSA-N 2 1 399.564 3.593 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC001330791001 1051107422 /nfs/dbraw/zinc/10/74/22/1051107422.db2.gz STSQRGSLSDBQHD-QGZVFWFLSA-N 2 1 399.564 3.593 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(C)[nH+]1 ZINC001310422788 1051346970 /nfs/dbraw/zinc/34/69/70/1051346970.db2.gz YADNBJAYRSQPRP-KSEOMHKRSA-N 2 1 378.520 3.543 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(C)[nH+]1 ZINC001310422788 1051346988 /nfs/dbraw/zinc/34/69/88/1051346988.db2.gz YADNBJAYRSQPRP-KSEOMHKRSA-N 2 1 378.520 3.543 20 0 GHADMP CCN(C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001311079056 1051834375 /nfs/dbraw/zinc/83/43/75/1051834375.db2.gz UCMRIWDCRBHLLI-FXAWDEMLSA-N 2 1 381.524 3.837 20 0 GHADMP CCN(C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311079056 1051834388 /nfs/dbraw/zinc/83/43/88/1051834388.db2.gz UCMRIWDCRBHLLI-FXAWDEMLSA-N 2 1 381.524 3.837 20 0 GHADMP CC[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001311444509 1052155503 /nfs/dbraw/zinc/15/55/03/1052155503.db2.gz OVVSWFJLZRDCFM-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC001311553327 1052239779 /nfs/dbraw/zinc/23/97/79/1052239779.db2.gz BZAFWNYLURDGES-BGYRXZFFSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC001311553327 1052239788 /nfs/dbraw/zinc/23/97/88/1052239788.db2.gz BZAFWNYLURDGES-BGYRXZFFSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC001311553327 1052239798 /nfs/dbraw/zinc/23/97/98/1052239798.db2.gz BZAFWNYLURDGES-BGYRXZFFSA-N 2 1 388.600 3.564 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C(C)(C)C[NH3+])CC2)[C@@H]1c1cccs1 ZINC001336829100 1052345156 /nfs/dbraw/zinc/34/51/56/1052345156.db2.gz JZVWBFRUSXSEMI-VQIMIIECSA-N 2 1 392.613 3.538 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001312119439 1052583163 /nfs/dbraw/zinc/58/31/63/1052583163.db2.gz NFZLVZGFMCWWRA-MGFHSNFOSA-N 2 1 386.584 3.552 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312412664 1052733288 /nfs/dbraw/zinc/73/32/88/1052733288.db2.gz ATHLXOAXPNMEBC-KXBFYZLASA-N 2 1 398.954 3.549 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC001312768008 1052864214 /nfs/dbraw/zinc/86/42/14/1052864214.db2.gz NIAKOJBEDJMLAQ-WVUPVLJSSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC001312768008 1052864220 /nfs/dbraw/zinc/86/42/20/1052864220.db2.gz NIAKOJBEDJMLAQ-WVUPVLJSSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC001312768008 1052864226 /nfs/dbraw/zinc/86/42/26/1052864226.db2.gz NIAKOJBEDJMLAQ-WVUPVLJSSA-N 2 1 398.595 3.554 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001312790483 1052871108 /nfs/dbraw/zinc/87/11/08/1052871108.db2.gz JJWCSEBCPFBQGS-QNGMFEMESA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1)CC(C)C ZINC001313116635 1052961187 /nfs/dbraw/zinc/96/11/87/1052961187.db2.gz KEOANDTYCVVJDR-JOCHJYFZSA-N 2 1 392.632 3.793 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1)CC(C)C ZINC001313116635 1052961188 /nfs/dbraw/zinc/96/11/88/1052961188.db2.gz KEOANDTYCVVJDR-JOCHJYFZSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001343420624 1053761762 /nfs/dbraw/zinc/76/17/62/1053761762.db2.gz KBCJUZTWCRCBCA-HJNYFJLDSA-N 2 1 383.580 3.716 20 0 GHADMP CCOc1ccccc1[C@@H]([NH3+])CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001343423300 1053763672 /nfs/dbraw/zinc/76/36/72/1053763672.db2.gz GOGRKIITACYYSR-UWJYYQICSA-N 2 1 397.519 3.507 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC001318591067 1054736711 /nfs/dbraw/zinc/73/67/11/1054736711.db2.gz BOLHXZFUZWNWNK-OAQYLSRUSA-N 2 1 378.520 3.703 20 0 GHADMP Cc1c(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)cnn1-c1cc[nH+]cc1 ZINC001344820857 1054760780 /nfs/dbraw/zinc/76/07/80/1054760780.db2.gz PMGYFOROCBVUTL-AVRDEDQJSA-N 2 1 390.487 3.786 20 0 GHADMP Cc1c(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)cnn1-c1cc[nH+]cc1 ZINC001344820857 1054760792 /nfs/dbraw/zinc/76/07/92/1054760792.db2.gz PMGYFOROCBVUTL-AVRDEDQJSA-N 2 1 390.487 3.786 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCC1)c1ccccc1 ZINC001318652713 1054775065 /nfs/dbraw/zinc/77/50/65/1054775065.db2.gz GOGNLEPLUNQNRF-FQEVSTJZSA-N 2 1 379.548 3.898 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCC1)c1ccccc1 ZINC001318652713 1054775081 /nfs/dbraw/zinc/77/50/81/1054775081.db2.gz GOGNLEPLUNQNRF-FQEVSTJZSA-N 2 1 379.548 3.898 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)CC2)cc1 ZINC001319077661 1055024019 /nfs/dbraw/zinc/02/40/19/1055024019.db2.gz UQSCUDDZYJSIAK-QFIPXVFZSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC001319077661 1055024029 /nfs/dbraw/zinc/02/40/29/1055024029.db2.gz UQSCUDDZYJSIAK-QFIPXVFZSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC001319077661 1055024042 /nfs/dbraw/zinc/02/40/42/1055024042.db2.gz UQSCUDDZYJSIAK-QFIPXVFZSA-N 2 1 383.580 3.684 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC001319717908 1055420376 /nfs/dbraw/zinc/42/03/76/1055420376.db2.gz NTOSJNOLMRQRDS-KRWDZBQOSA-N 2 1 379.614 3.838 20 0 GHADMP Cc1c(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001319881903 1055519289 /nfs/dbraw/zinc/51/92/89/1055519289.db2.gz QODCIMCPHXFWMP-YPGOJHLTSA-N 2 1 376.504 3.529 20 0 GHADMP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN(C)C(=O)OC(C)(C)C ZINC001319946377 1055555105 /nfs/dbraw/zinc/55/51/05/1055555105.db2.gz LSKMAPYTDWOGBO-SFHLNBCPSA-N 2 1 389.584 3.990 20 0 GHADMP Cc1c(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001320025491 1055605581 /nfs/dbraw/zinc/60/55/81/1055605581.db2.gz ITMRBNDMXLCXNW-PXNSSMCTSA-N 2 1 376.504 3.673 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000848546153 1057166811 /nfs/dbraw/zinc/16/68/11/1057166811.db2.gz TZTIZRJTEMHDTL-RPWUZVMVSA-N 2 1 380.532 3.620 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001324669852 1057197963 /nfs/dbraw/zinc/19/79/63/1057197963.db2.gz PAEOTEDRFBXZOV-GOSISDBHSA-N 2 1 389.503 3.572 20 0 GHADMP C[C@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001326021460 1057397176 /nfs/dbraw/zinc/39/71/76/1057397176.db2.gz JDJHIMQVNVKVKR-LJQANCHMSA-N 2 1 389.584 3.929 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC001326297489 1057451475 /nfs/dbraw/zinc/45/14/75/1057451475.db2.gz BNVBFJSHCKRDQS-GOSISDBHSA-N 2 1 377.532 3.637 20 0 GHADMP CC1(C)C[N@@H+](C2(CNC(=[NH2+])Nc3cc(F)ccc3F)CCCCC2)CCO1 ZINC000849081189 1057585157 /nfs/dbraw/zinc/58/51/57/1057585157.db2.gz LWLKKTHWFMRHGX-UHFFFAOYSA-N 2 1 380.483 3.715 20 0 GHADMP CC1(C)C[N@H+](C2(CNC(=[NH2+])Nc3cc(F)ccc3F)CCCCC2)CCO1 ZINC000849081189 1057585163 /nfs/dbraw/zinc/58/51/63/1057585163.db2.gz LWLKKTHWFMRHGX-UHFFFAOYSA-N 2 1 380.483 3.715 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC001327263095 1057629668 /nfs/dbraw/zinc/62/96/68/1057629668.db2.gz HURUJJBMIRLYBF-IBGZPJMESA-N 2 1 379.548 3.610 20 0 GHADMP C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001440633704 1058552144 /nfs/dbraw/zinc/55/21/44/1058552144.db2.gz BJKGJBHORSLABL-LEWJYISDSA-N 2 1 385.596 3.710 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC001441351333 1058758258 /nfs/dbraw/zinc/75/82/58/1058758258.db2.gz HRFSEGQMHVDCNO-MDNUFGMLSA-N 2 1 385.596 3.629 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001441351333 1058758273 /nfs/dbraw/zinc/75/82/73/1058758273.db2.gz HRFSEGQMHVDCNO-MDNUFGMLSA-N 2 1 385.596 3.629 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001441351333 1058758285 /nfs/dbraw/zinc/75/82/85/1058758285.db2.gz HRFSEGQMHVDCNO-MDNUFGMLSA-N 2 1 385.596 3.629 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)C1 ZINC001441469999 1058789873 /nfs/dbraw/zinc/78/98/73/1058789873.db2.gz UFGADTHYASPFTM-SFTDATJTSA-N 2 1 393.575 3.913 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)C1 ZINC001441469999 1058789892 /nfs/dbraw/zinc/78/98/92/1058789892.db2.gz UFGADTHYASPFTM-SFTDATJTSA-N 2 1 393.575 3.913 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001445084678 1059458095 /nfs/dbraw/zinc/45/80/95/1059458095.db2.gz JHVOLPNESMEBMF-KKSFZXQISA-N 2 1 385.939 3.506 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001445084678 1059458105 /nfs/dbraw/zinc/45/81/05/1059458105.db2.gz JHVOLPNESMEBMF-KKSFZXQISA-N 2 1 385.939 3.506 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001448116777 1060110874 /nfs/dbraw/zinc/11/08/74/1060110874.db2.gz HNJFLPDMSZGWJV-HSZRJFAPSA-N 2 1 381.564 3.677 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC001450779227 1060684061 /nfs/dbraw/zinc/68/40/61/1060684061.db2.gz AVBQRALGPYPRJP-PTUXOGIPSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001454630940 1061891400 /nfs/dbraw/zinc/89/14/00/1061891400.db2.gz BSNOPUDOQMBTBJ-HUVFLSCGSA-N 2 1 391.559 3.535 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC001348563518 1063219224 /nfs/dbraw/zinc/21/92/24/1063219224.db2.gz VPIJVJKABCKUHU-QHCPKHFHSA-N 2 1 394.563 3.693 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001458036869 1063517031 /nfs/dbraw/zinc/51/70/31/1063517031.db2.gz YNIQVPMAZFJJBE-TZRRMPRUSA-N 2 1 391.559 3.779 20 0 GHADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001459326405 1064064283 /nfs/dbraw/zinc/06/42/83/1064064283.db2.gz ADRMKKRWVOZKLQ-JOCHJYFZSA-N 2 1 388.939 3.678 20 0 GHADMP C[N@H+](CCCOc1cccc(Cl)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001459326405 1064064292 /nfs/dbraw/zinc/06/42/92/1064064292.db2.gz ADRMKKRWVOZKLQ-JOCHJYFZSA-N 2 1 388.939 3.678 20 0 GHADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001459326405 1064064298 /nfs/dbraw/zinc/06/42/98/1064064298.db2.gz ADRMKKRWVOZKLQ-JOCHJYFZSA-N 2 1 388.939 3.678 20 0 GHADMP C[NH+](CCCOc1cccc(Cl)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001459326405 1064064307 /nfs/dbraw/zinc/06/43/07/1064064307.db2.gz ADRMKKRWVOZKLQ-JOCHJYFZSA-N 2 1 388.939 3.678 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CCCC4(CCC4)O3)CC2)CC1 ZINC001459604879 1064139741 /nfs/dbraw/zinc/13/97/41/1064139741.db2.gz BYBBNBBPJAXKJF-QFIPXVFZSA-N 2 1 377.617 3.606 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCCC2(CCC2)O1 ZINC001459604879 1064139746 /nfs/dbraw/zinc/13/97/46/1064139746.db2.gz BYBBNBBPJAXKJF-QFIPXVFZSA-N 3 1 377.617 3.606 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCCC2(CCC2)O1 ZINC001459604879 1064139754 /nfs/dbraw/zinc/13/97/54/1064139754.db2.gz BYBBNBBPJAXKJF-QFIPXVFZSA-N 3 1 377.617 3.606 20 0 GHADMP CC1(C)CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001459949362 1064297028 /nfs/dbraw/zinc/29/70/28/1064297028.db2.gz JNFNNPZSYBDGRW-IBGZPJMESA-N 2 1 377.960 3.715 20 0 GHADMP CC1(C)CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001459949362 1064297038 /nfs/dbraw/zinc/29/70/38/1064297038.db2.gz JNFNNPZSYBDGRW-IBGZPJMESA-N 2 1 377.960 3.715 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001465257113 1065504963 /nfs/dbraw/zinc/50/49/63/1065504963.db2.gz FJSGQPYLQNYAJD-HYBUGGRVSA-N 2 1 393.575 3.916 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1C(F)F ZINC001465616136 1065747048 /nfs/dbraw/zinc/74/70/48/1065747048.db2.gz PZFFDPYBAULVKK-UHFFFAOYSA-N 2 1 393.522 3.893 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCC[NH+]4C)cc2)C1 ZINC001467605147 1067381993 /nfs/dbraw/zinc/38/19/93/1067381993.db2.gz FEWLMIRZODRNBI-IYRWYFENSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)cc2)C1 ZINC001467605147 1067382003 /nfs/dbraw/zinc/38/20/03/1067382003.db2.gz FEWLMIRZODRNBI-IYRWYFENSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)cc2)C1 ZINC001467605147 1067382014 /nfs/dbraw/zinc/38/20/14/1067382014.db2.gz FEWLMIRZODRNBI-IYRWYFENSA-N 2 1 398.595 3.543 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001467739842 1067445112 /nfs/dbraw/zinc/44/51/12/1067445112.db2.gz HEHOWPRLDPQVGE-FQEVSTJZSA-N 2 1 378.605 3.549 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001467744278 1067447763 /nfs/dbraw/zinc/44/77/63/1067447763.db2.gz PBIPVPKOXCHWSH-PCCBWWKXSA-N 2 1 380.621 3.698 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902348 1067520471 /nfs/dbraw/zinc/52/04/71/1067520471.db2.gz CBHCKPJWTZOGRI-AZUAARDMSA-N 2 1 379.976 3.961 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902348 1067520479 /nfs/dbraw/zinc/52/04/79/1067520479.db2.gz CBHCKPJWTZOGRI-AZUAARDMSA-N 2 1 379.976 3.961 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902348 1067520487 /nfs/dbraw/zinc/52/04/87/1067520487.db2.gz CBHCKPJWTZOGRI-AZUAARDMSA-N 2 1 379.976 3.961 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)CC(C)C ZINC001467950346 1067542722 /nfs/dbraw/zinc/54/27/22/1067542722.db2.gz NRNWUPUXRGHCTI-RTWAWAEBSA-N 2 1 380.621 3.839 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NCC[N@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC001468008386 1067562842 /nfs/dbraw/zinc/56/28/42/1067562842.db2.gz GWOKGIDKVOHWET-GOSISDBHSA-N 2 1 392.613 3.552 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000849098962 1067726791 /nfs/dbraw/zinc/72/67/91/1067726791.db2.gz VIYOABXKHCBESZ-IFXJQAMLSA-N 2 1 388.537 3.785 20 0 GHADMP C[N@H+](Cc1ccccc1)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCC1 ZINC000849114963 1067735026 /nfs/dbraw/zinc/73/50/26/1067735026.db2.gz ZWVUJKQOAZWKOH-UHFFFAOYSA-N 2 1 394.519 3.839 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCC1 ZINC000849114963 1067735035 /nfs/dbraw/zinc/73/50/35/1067735035.db2.gz ZWVUJKQOAZWKOH-UHFFFAOYSA-N 2 1 394.519 3.839 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)C ZINC001477866192 1078601597 /nfs/dbraw/zinc/60/15/97/1078601597.db2.gz FSSXIGHRNSZIOL-NHCUHLMSSA-N 2 1 388.600 3.707 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001477865136 1078600623 /nfs/dbraw/zinc/60/06/23/1078600623.db2.gz HAWXOVBIPCXREN-CUXKYVRBSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001477865136 1078600627 /nfs/dbraw/zinc/60/06/27/1078600627.db2.gz HAWXOVBIPCXREN-CUXKYVRBSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001477865136 1078600631 /nfs/dbraw/zinc/60/06/31/1078600631.db2.gz HAWXOVBIPCXREN-CUXKYVRBSA-N 2 1 386.584 3.554 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC001469896185 1068456906 /nfs/dbraw/zinc/45/69/06/1068456906.db2.gz VMEHQIPXRQHFKT-YADHBBJMSA-N 2 1 399.966 3.718 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC001469896185 1068456914 /nfs/dbraw/zinc/45/69/14/1068456914.db2.gz VMEHQIPXRQHFKT-YADHBBJMSA-N 2 1 399.966 3.718 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001478378328 1078840531 /nfs/dbraw/zinc/84/05/31/1078840531.db2.gz SSVVHSWGJWJTJZ-HXUWFJFHSA-N 2 1 386.584 3.715 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001478378328 1078840537 /nfs/dbraw/zinc/84/05/37/1078840537.db2.gz SSVVHSWGJWJTJZ-HXUWFJFHSA-N 2 1 386.584 3.715 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC001460693647 1069091711 /nfs/dbraw/zinc/09/17/11/1069091711.db2.gz RZGFOKZZARWAQA-GHTZIAJQSA-N 2 1 375.532 3.686 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001478536963 1078909151 /nfs/dbraw/zinc/90/91/51/1078909151.db2.gz AVWHOKJAZSNPRP-VXKWHMMOSA-N 2 1 390.616 3.880 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001478586560 1078926034 /nfs/dbraw/zinc/92/60/34/1078926034.db2.gz ZMDNZHMGGBQBRP-GOSISDBHSA-N 2 1 380.621 3.649 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC001470714886 1072701821 /nfs/dbraw/zinc/70/18/21/1072701821.db2.gz XLHZJZAHNCDQFU-QFIPXVFZSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+](CCCNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC001470714886 1072701827 /nfs/dbraw/zinc/70/18/27/1072701827.db2.gz XLHZJZAHNCDQFU-QFIPXVFZSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+](CCCNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC001470714886 1072701834 /nfs/dbraw/zinc/70/18/34/1072701834.db2.gz XLHZJZAHNCDQFU-QFIPXVFZSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001470777202 1072733277 /nfs/dbraw/zinc/73/32/77/1072733277.db2.gz KFEUZPZTVWGKLT-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001471047287 1072903181 /nfs/dbraw/zinc/90/31/81/1072903181.db2.gz RKOPRKAEXKIKHZ-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001471047287 1072903182 /nfs/dbraw/zinc/90/31/82/1072903182.db2.gz RKOPRKAEXKIKHZ-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471047287 1072903183 /nfs/dbraw/zinc/90/31/83/1072903183.db2.gz RKOPRKAEXKIKHZ-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC001478890540 1079016834 /nfs/dbraw/zinc/01/68/34/1079016834.db2.gz BOUHISOVQJULJK-XPWALMASSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001478890540 1079016841 /nfs/dbraw/zinc/01/68/41/1079016841.db2.gz BOUHISOVQJULJK-XPWALMASSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001478890540 1079016847 /nfs/dbraw/zinc/01/68/47/1079016847.db2.gz BOUHISOVQJULJK-XPWALMASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001472576536 1073558187 /nfs/dbraw/zinc/55/81/87/1073558187.db2.gz ZCUYIBIKWJUHTH-AUSIDOKSSA-N 2 1 379.548 3.746 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001472576536 1073558189 /nfs/dbraw/zinc/55/81/89/1073558189.db2.gz ZCUYIBIKWJUHTH-AUSIDOKSSA-N 2 1 379.548 3.746 20 0 GHADMP CC[C@H](C)[C@H](C)[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156119 1073814471 /nfs/dbraw/zinc/81/44/71/1073814471.db2.gz PNHJQUVLFJHIQP-FPOVZHCZSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@H](C)[C@H](C)[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156119 1073814485 /nfs/dbraw/zinc/81/44/85/1073814485.db2.gz PNHJQUVLFJHIQP-FPOVZHCZSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@H](C)[C@H](C)[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156119 1073814498 /nfs/dbraw/zinc/81/44/98/1073814498.db2.gz PNHJQUVLFJHIQP-FPOVZHCZSA-N 2 1 385.596 3.928 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192419 1073844949 /nfs/dbraw/zinc/84/49/49/1073844949.db2.gz MMFZBBIPPQHJOD-IAGOWNOFSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192419 1073844957 /nfs/dbraw/zinc/84/49/57/1073844957.db2.gz MMFZBBIPPQHJOD-IAGOWNOFSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192419 1073844961 /nfs/dbraw/zinc/84/49/61/1073844961.db2.gz MMFZBBIPPQHJOD-IAGOWNOFSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192419 1073844967 /nfs/dbraw/zinc/84/49/67/1073844967.db2.gz MMFZBBIPPQHJOD-IAGOWNOFSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC2(CC1)OCCO2)c1ccccc1 ZINC001473525179 1074001668 /nfs/dbraw/zinc/00/16/68/1074001668.db2.gz RODRYMTVFFAGCD-HSZRJFAPSA-N 2 1 380.532 3.741 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1-n1cncn1 ZINC001474019282 1074237417 /nfs/dbraw/zinc/23/74/17/1074237417.db2.gz UVBWTYLLXMCYMW-GHTZIAJQSA-N 2 1 381.549 3.810 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1-n1cncn1 ZINC001474019282 1074237420 /nfs/dbraw/zinc/23/74/20/1074237420.db2.gz UVBWTYLLXMCYMW-GHTZIAJQSA-N 2 1 381.549 3.810 20 0 GHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H](C4CCOCC4)C3)C2)cc1 ZINC001474112616 1074267589 /nfs/dbraw/zinc/26/75/89/1074267589.db2.gz LNMJDPCDQBAWSW-WXFUMESZSA-N 2 1 386.580 3.853 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H](C4CCOCC4)C3)C2)cc1 ZINC001474112616 1074267595 /nfs/dbraw/zinc/26/75/95/1074267595.db2.gz LNMJDPCDQBAWSW-WXFUMESZSA-N 2 1 386.580 3.853 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001474189615 1074288282 /nfs/dbraw/zinc/28/82/82/1074288282.db2.gz LAYGEPNDOHNJGF-OFNKIYASSA-N 2 1 378.495 3.755 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001474189615 1074288284 /nfs/dbraw/zinc/28/82/84/1074288284.db2.gz LAYGEPNDOHNJGF-OFNKIYASSA-N 2 1 378.495 3.755 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOC(F)(F)C(F)(F)F)CC2)cc1 ZINC001474255965 1074311632 /nfs/dbraw/zinc/31/16/32/1074311632.db2.gz ARIUUVUJEDQTRQ-UHFFFAOYSA-N 2 1 384.364 3.594 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3N3CCO[C@@H](C)C3)C2)CC1 ZINC001474339856 1074351800 /nfs/dbraw/zinc/35/18/00/1074351800.db2.gz PSMWOSWZCJCXLO-FCHUYYIVSA-N 2 1 385.596 3.856 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3N3CCO[C@@H](C)C3)C2)CC1 ZINC001474339856 1074351794 /nfs/dbraw/zinc/35/17/94/1074351794.db2.gz PSMWOSWZCJCXLO-FCHUYYIVSA-N 2 1 385.596 3.856 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001474642755 1074495571 /nfs/dbraw/zinc/49/55/71/1074495571.db2.gz SAVCFLIETRDXCP-JOCHJYFZSA-N 2 1 381.520 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001474642755 1074495574 /nfs/dbraw/zinc/49/55/74/1074495574.db2.gz SAVCFLIETRDXCP-JOCHJYFZSA-N 2 1 381.520 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001474642755 1074495580 /nfs/dbraw/zinc/49/55/80/1074495580.db2.gz SAVCFLIETRDXCP-JOCHJYFZSA-N 2 1 381.520 3.512 20 0 GHADMP C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)Cc1ccnn1-c1cc[nH+]cc1 ZINC001474698465 1074522417 /nfs/dbraw/zinc/52/24/17/1074522417.db2.gz VTJXQPMGWZFMCZ-UHFFFAOYSA-N 2 1 387.528 3.784 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414508 607088182 /nfs/dbraw/zinc/08/81/82/607088182.db2.gz YQOTZEZHAVDXCE-XGHQBKJUSA-N 2 1 376.508 3.570 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414508 607088183 /nfs/dbraw/zinc/08/81/83/607088183.db2.gz YQOTZEZHAVDXCE-XGHQBKJUSA-N 2 1 376.508 3.570 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)n1 ZINC001164618837 719046288 /nfs/dbraw/zinc/04/62/88/719046288.db2.gz BZHANCINXKUSTQ-NZQKXSOJSA-N 2 1 396.966 3.914 20 0 GHADMP COc1ccc2c(cc[nH+]c2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164857841 720939301 /nfs/dbraw/zinc/93/93/01/720939301.db2.gz HMNXFMSEIXBOMY-INIZCTEOSA-N 2 1 379.508 3.861 20 0 GHADMP COc1ccc2c(cc[nH+]c2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164857841 720939309 /nfs/dbraw/zinc/93/93/09/720939309.db2.gz HMNXFMSEIXBOMY-INIZCTEOSA-N 2 1 379.508 3.861 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164773997 721290807 /nfs/dbraw/zinc/29/08/07/721290807.db2.gz VKSOQWRIOFXBEU-UHFFFAOYSA-N 2 1 391.494 3.541 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164773997 721290812 /nfs/dbraw/zinc/29/08/12/721290812.db2.gz VKSOQWRIOFXBEU-UHFFFAOYSA-N 2 1 391.494 3.541 20 0 GHADMP C[C@@H]1CCCC[C@H]1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431780210 837473850 /nfs/dbraw/zinc/47/38/50/837473850.db2.gz XIXZAXCHBFKDSD-CTNGQTDRSA-N 2 1 392.632 3.650 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647544018 837475531 /nfs/dbraw/zinc/47/55/31/837475531.db2.gz VOWZNCBEKWYSJS-GJZGRUSLSA-N 2 1 397.357 3.678 20 0 GHADMP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000414380540 837522723 /nfs/dbraw/zinc/52/27/23/837522723.db2.gz OOMCWGGQGSIVGE-IBGZPJMESA-N 2 1 381.358 3.869 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655691350 837671842 /nfs/dbraw/zinc/67/18/42/837671842.db2.gz UMYDUONSOOJNHH-GBXCKJPGSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691350 837671846 /nfs/dbraw/zinc/67/18/46/837671846.db2.gz UMYDUONSOOJNHH-GBXCKJPGSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691350 837671853 /nfs/dbraw/zinc/67/18/53/837671853.db2.gz UMYDUONSOOJNHH-GBXCKJPGSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691350 837671858 /nfs/dbraw/zinc/67/18/58/837671858.db2.gz UMYDUONSOOJNHH-GBXCKJPGSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691350 837671864 /nfs/dbraw/zinc/67/18/64/837671864.db2.gz UMYDUONSOOJNHH-GBXCKJPGSA-N 2 1 385.596 3.652 20 0 GHADMP Cc1cc(Br)cc(C)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703930 837693472 /nfs/dbraw/zinc/69/34/72/837693472.db2.gz NUCKFDDJQDLQKD-SFHVURJKSA-N 2 1 381.358 3.799 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1OC ZINC000650705732 834525939 /nfs/dbraw/zinc/52/59/39/834525939.db2.gz UAGYNIGFOCYUJN-ZVDOUQERSA-N 2 1 376.541 3.592 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000650705736 834526007 /nfs/dbraw/zinc/52/60/07/834526007.db2.gz UEODRSYHTLQRCU-WDYCEAGBSA-N 2 1 375.513 3.668 20 0 GHADMP CCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000655738029 837782302 /nfs/dbraw/zinc/78/23/02/837782302.db2.gz QVGJUVZJAPKGQC-QHCPKHFHSA-N 3 1 385.596 3.522 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000151891248 834581442 /nfs/dbraw/zinc/58/14/42/834581442.db2.gz KLYFWNZQUAQURN-NTKDMRAZSA-N 2 1 394.563 3.674 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724023 834708623 /nfs/dbraw/zinc/70/86/23/834708623.db2.gz XIKGASVGSPHJBM-MQSCRBSSSA-N 2 1 381.520 3.618 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000139941945 834768984 /nfs/dbraw/zinc/76/89/84/834768984.db2.gz CWWBQWLTAAOPTD-HXUWFJFHSA-N 2 1 397.588 3.986 20 0 GHADMP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655755674 837827445 /nfs/dbraw/zinc/82/74/45/837827445.db2.gz HVNIMMVYIIAFPF-ROUUACIJSA-N 2 1 397.485 3.517 20 0 GHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Oc1cccnc1 ZINC000685457746 835021702 /nfs/dbraw/zinc/02/17/02/835021702.db2.gz LVSIBOLWRGIMTD-JOCHJYFZSA-N 2 1 394.563 3.783 20 0 GHADMP COC[C@]1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655628 835269573 /nfs/dbraw/zinc/26/95/73/835269573.db2.gz BVDKAVZWEQYBNP-XRODADMRSA-N 2 1 394.559 3.601 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309710158 835293005 /nfs/dbraw/zinc/29/30/05/835293005.db2.gz IZQGQXRZOGYJSU-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC001167079101 835378233 /nfs/dbraw/zinc/37/82/33/835378233.db2.gz ZXKBHJCPDXKTQN-HXUWFJFHSA-N 2 1 377.960 3.889 20 0 GHADMP Cc1cc(F)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000612048132 835435229 /nfs/dbraw/zinc/43/52/29/835435229.db2.gz XZZCGKHUXVGGKL-UHFFFAOYSA-N 2 1 393.522 3.542 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1OC(F)F ZINC000658142178 835453941 /nfs/dbraw/zinc/45/39/41/835453941.db2.gz VCLXDCVXFDZHHV-RDTXWAMCSA-N 2 1 394.437 3.845 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1F ZINC000658137766 835462335 /nfs/dbraw/zinc/46/23/35/835462335.db2.gz LOYNPVQDXVXGTR-YLJYHZDGSA-N 2 1 392.902 3.523 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1F ZINC000658137766 835462341 /nfs/dbraw/zinc/46/23/41/835462341.db2.gz LOYNPVQDXVXGTR-YLJYHZDGSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137758 835462678 /nfs/dbraw/zinc/46/26/78/835462678.db2.gz IHSVWNJOMMNRBT-BEFAXECRSA-N 2 1 376.447 3.705 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000500855034 844062819 /nfs/dbraw/zinc/06/28/19/844062819.db2.gz CKIZHFAEJKWNRX-JOCHJYFZSA-N 2 1 386.584 3.736 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000500855035 844063001 /nfs/dbraw/zinc/06/30/01/844063001.db2.gz CKIZHFAEJKWNRX-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCN(c4ccccn4)CC3)C3(CCC3)C2)cc1 ZINC000658320427 835572772 /nfs/dbraw/zinc/57/27/72/835572772.db2.gz XQPZEFOYACMPEG-QFIPXVFZSA-N 2 1 390.575 3.942 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000159061522 835712943 /nfs/dbraw/zinc/71/29/43/835712943.db2.gz PYRUOUQZSKFKGE-OAQYLSRUSA-N 2 1 377.617 3.715 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584158975 835716764 /nfs/dbraw/zinc/71/67/64/835716764.db2.gz SWJWYAAUAKBBLK-QUCCMNQESA-N 2 1 383.511 3.963 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000584199470 835753688 /nfs/dbraw/zinc/75/36/88/835753688.db2.gz JOLJOMKGUURTOX-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)cc2)C1 ZINC000154561574 835761081 /nfs/dbraw/zinc/76/10/81/835761081.db2.gz RDVIJDSCQYPKPS-AVRDEDQJSA-N 2 1 385.552 3.500 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)cc2)C1 ZINC000154561574 835761089 /nfs/dbraw/zinc/76/10/89/835761089.db2.gz RDVIJDSCQYPKPS-AVRDEDQJSA-N 2 1 385.552 3.500 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)cc2)C1 ZINC000154561574 835761099 /nfs/dbraw/zinc/76/10/99/835761099.db2.gz RDVIJDSCQYPKPS-AVRDEDQJSA-N 2 1 385.552 3.500 20 0 GHADMP C[C@H](O)[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000584213132 835768021 /nfs/dbraw/zinc/76/80/21/835768021.db2.gz ZHONXLSRBWDQQD-ZCLUNYJNSA-N 2 1 394.987 3.526 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000584248527 835808025 /nfs/dbraw/zinc/80/80/25/835808025.db2.gz SJSZTBBXJYVDPA-PMACEKPBSA-N 2 1 390.568 3.564 20 0 GHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000657836937 835838916 /nfs/dbraw/zinc/83/89/16/835838916.db2.gz VVRWEWOXNQDELU-HXUWFJFHSA-N 2 1 396.417 3.778 20 0 GHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000657836936 835839257 /nfs/dbraw/zinc/83/92/57/835839257.db2.gz VVRWEWOXNQDELU-FQEVSTJZSA-N 2 1 396.417 3.778 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCC4(C[C@@H]3F)OCCO4)cc2)CC1 ZINC000892379174 835972369 /nfs/dbraw/zinc/97/23/69/835972369.db2.gz AOVBIEYEQMEIHZ-LEWJYISDSA-N 2 1 391.531 3.510 20 0 GHADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(Br)c1OC ZINC000570128496 836437841 /nfs/dbraw/zinc/43/78/41/836437841.db2.gz LMGBJZQYVMNJGD-XYPWUTKMSA-N 2 1 397.357 3.913 20 0 GHADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(Br)c1OC ZINC000570128496 836437845 /nfs/dbraw/zinc/43/78/45/836437845.db2.gz LMGBJZQYVMNJGD-XYPWUTKMSA-N 2 1 397.357 3.913 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)c1OC ZINC000570128496 836437850 /nfs/dbraw/zinc/43/78/50/836437850.db2.gz LMGBJZQYVMNJGD-XYPWUTKMSA-N 2 1 397.357 3.913 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)c1OC ZINC000570128496 836437859 /nfs/dbraw/zinc/43/78/59/836437859.db2.gz LMGBJZQYVMNJGD-XYPWUTKMSA-N 2 1 397.357 3.913 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CCCO1 ZINC000683343961 836544802 /nfs/dbraw/zinc/54/48/02/836544802.db2.gz FXPFJUUGGYCJFN-LJQANCHMSA-N 2 1 386.511 3.995 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCCOc1cccc(C)c1 ZINC000647490619 836564981 /nfs/dbraw/zinc/56/49/81/836564981.db2.gz DTWACGYGIVNXLA-FQEVSTJZSA-N 2 1 384.520 3.632 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCCOc1cccc(C)c1 ZINC000647490619 836564985 /nfs/dbraw/zinc/56/49/85/836564985.db2.gz DTWACGYGIVNXLA-FQEVSTJZSA-N 2 1 384.520 3.632 20 0 GHADMP C[C@@H]1C[N@H+](CC2CCN(CC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000170689700 836565307 /nfs/dbraw/zinc/56/53/07/836565307.db2.gz GOWZCFWEVTWFGG-KDURUIRLSA-N 2 1 395.547 3.600 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000170689700 836565318 /nfs/dbraw/zinc/56/53/18/836565318.db2.gz GOWZCFWEVTWFGG-KDURUIRLSA-N 2 1 395.547 3.600 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000170689700 836565327 /nfs/dbraw/zinc/56/53/27/836565327.db2.gz GOWZCFWEVTWFGG-KDURUIRLSA-N 2 1 395.547 3.600 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](CCn1cc[nH+]c1C)CC2 ZINC000535666181 844188699 /nfs/dbraw/zinc/18/86/99/844188699.db2.gz PUAYTFZMRUMSMO-NRFANRHFSA-N 2 1 383.517 3.918 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCn1cc[nH+]c1C)CC2 ZINC000535666181 844188703 /nfs/dbraw/zinc/18/87/03/844188703.db2.gz PUAYTFZMRUMSMO-NRFANRHFSA-N 2 1 383.517 3.918 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000892580252 836735924 /nfs/dbraw/zinc/73/59/24/836735924.db2.gz IEEQXZADKGQMGE-INIZCTEOSA-N 2 1 387.549 3.842 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)s1 ZINC000892580252 836735930 /nfs/dbraw/zinc/73/59/30/836735930.db2.gz IEEQXZADKGQMGE-INIZCTEOSA-N 2 1 387.549 3.842 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247088268 836773724 /nfs/dbraw/zinc/77/37/24/836773724.db2.gz NTTYJPHQIOLDAI-IFMALSPDSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247088303 836774835 /nfs/dbraw/zinc/77/48/35/836774835.db2.gz NTTYJPHQIOLDAI-RBBKRZOGSA-N 2 1 387.543 3.515 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1)C1CC1 ZINC000685896499 836795626 /nfs/dbraw/zinc/79/56/26/836795626.db2.gz XQFYVCKBRZPVPG-UHFFFAOYSA-N 2 1 392.547 3.905 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1)C1CC1 ZINC000685896499 836795637 /nfs/dbraw/zinc/79/56/37/836795637.db2.gz XQFYVCKBRZPVPG-UHFFFAOYSA-N 2 1 392.547 3.905 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)cc2)C1 ZINC000414290478 836935861 /nfs/dbraw/zinc/93/58/61/836935861.db2.gz SQJMYOUIZOTKNY-MRXNPFEDSA-N 2 1 392.590 3.673 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC001167256298 837049865 /nfs/dbraw/zinc/04/98/65/837049865.db2.gz VTFRVFCEMZGCKM-KRWDZBQOSA-N 2 1 380.479 3.995 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3cccc4c3OC(F)(F)O4)C2)CC1 ZINC001167256298 837049877 /nfs/dbraw/zinc/04/98/77/837049877.db2.gz VTFRVFCEMZGCKM-KRWDZBQOSA-N 2 1 380.479 3.995 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC[C@@H]1[NH3+] ZINC000647497732 837052046 /nfs/dbraw/zinc/05/20/46/837052046.db2.gz SVVOFFBBOKMEPD-KNQAVFIVSA-N 2 1 378.520 3.781 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC3 ZINC000120645654 837118367 /nfs/dbraw/zinc/11/83/67/837118367.db2.gz VHJIHIIJTHXDQM-SFTDATJTSA-N 2 1 389.543 3.690 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000511425489 837252095 /nfs/dbraw/zinc/25/20/95/837252095.db2.gz AMDGWEKIPCMVNS-IRLDBZIGSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000511425489 837252105 /nfs/dbraw/zinc/25/21/05/837252105.db2.gz AMDGWEKIPCMVNS-IRLDBZIGSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000511425489 837252113 /nfs/dbraw/zinc/25/21/13/837252113.db2.gz AMDGWEKIPCMVNS-IRLDBZIGSA-N 2 1 398.595 3.603 20 0 GHADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237827902 837360884 /nfs/dbraw/zinc/36/08/84/837360884.db2.gz OUWNUPFNWLLERP-MVJPYGJCSA-N 2 1 375.944 3.514 20 0 GHADMP Brc1ccc(/C=C\C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655772771 837845544 /nfs/dbraw/zinc/84/55/44/837845544.db2.gz MMUZSOHMXXPQFT-SOHNTWGLSA-N 2 1 379.342 3.695 20 0 GHADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579949482 837959440 /nfs/dbraw/zinc/95/94/40/837959440.db2.gz QENQIRCMSAJFLR-UXHICEINSA-N 2 1 397.567 3.601 20 0 GHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579949483 837959715 /nfs/dbraw/zinc/95/97/15/837959715.db2.gz QENQIRCMSAJFLR-VQTJNVASSA-N 2 1 397.567 3.601 20 0 GHADMP [NH3+]C1(CN[C@@H]2CCSc3c(F)cccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423556215 837972917 /nfs/dbraw/zinc/97/29/17/837972917.db2.gz HYGQSQVBXNMEBB-HXUWFJFHSA-N 2 1 385.552 3.946 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000121418395 838013816 /nfs/dbraw/zinc/01/38/16/838013816.db2.gz WYZCVOAEKGXRHO-KBPBESRZSA-N 2 1 393.329 3.597 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000121418772 838014135 /nfs/dbraw/zinc/01/41/35/838014135.db2.gz WYZCVOAEKGXRHO-ZIAGYGMSSA-N 2 1 393.329 3.597 20 0 GHADMP FC(F)(F)Cc1noc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)n1 ZINC000377935481 838182528 /nfs/dbraw/zinc/18/25/28/838182528.db2.gz BHIFDLSNGUKLQO-HOTGVXAUSA-N 2 1 380.414 3.558 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000659285301 838209989 /nfs/dbraw/zinc/20/99/89/838209989.db2.gz LTCMEVDHFURNMO-SFHVURJKSA-N 2 1 380.319 3.997 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000415880235 838226525 /nfs/dbraw/zinc/22/65/25/838226525.db2.gz FFGKCFDGVRABSQ-MBSDFSHPSA-N 2 1 392.547 3.849 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415900453 838246513 /nfs/dbraw/zinc/24/65/13/838246513.db2.gz AJQFNWPFLGLIJE-AVRDEDQJSA-N 2 1 380.536 3.828 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000584517265 838295931 /nfs/dbraw/zinc/29/59/31/838295931.db2.gz IHJQXZLYMWAAGF-QFIPXVFZSA-N 2 1 381.524 3.662 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000683689739 838309231 /nfs/dbraw/zinc/30/92/31/838309231.db2.gz KWXQITUBWFGAPF-DKUWSORSSA-N 2 1 383.580 3.809 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415960514 838319524 /nfs/dbraw/zinc/31/95/24/838319524.db2.gz PUFGQTVNXADPCH-IRXDYDNUSA-N 2 1 396.510 3.598 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cccc(Cl)c1Cl ZINC000659366040 838320683 /nfs/dbraw/zinc/32/06/83/838320683.db2.gz ZXINALQKUAUSIE-WMZOPIPTSA-N 2 1 394.302 3.554 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000659879561 838322001 /nfs/dbraw/zinc/32/20/01/838322001.db2.gz VZOKSSSFWXKUGG-NHCUHLMSSA-N 2 1 377.617 3.859 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415958904 838328477 /nfs/dbraw/zinc/32/84/77/838328477.db2.gz SBQWTOCDCVFWCR-FQEVSTJZSA-N 2 1 380.536 3.782 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415960295 838329114 /nfs/dbraw/zinc/32/91/14/838329114.db2.gz UYJJAVGHJPWYFT-GHTZIAJQSA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000415970736 838339943 /nfs/dbraw/zinc/33/99/43/838339943.db2.gz IHEHZPLMSKBELE-UHFFFAOYSA-N 2 1 380.536 3.782 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000415977100 838342135 /nfs/dbraw/zinc/34/21/35/838342135.db2.gz BCDJWHLXGARARZ-OAQYLSRUSA-N 2 1 380.536 3.828 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000416180852 838673959 /nfs/dbraw/zinc/67/39/59/838673959.db2.gz QMGKTALJDZOICO-UHFFFAOYSA-N 2 1 383.580 3.549 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868134 838745413 /nfs/dbraw/zinc/74/54/13/838745413.db2.gz JEDDIXAEHCQRBI-OAHLLOKOSA-N 2 1 381.948 3.648 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000893198428 838814577 /nfs/dbraw/zinc/81/45/77/838814577.db2.gz ICYJXLANXZZZLC-BJLQDIEVSA-N 2 1 392.613 3.504 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000415106424 839202560 /nfs/dbraw/zinc/20/25/60/839202560.db2.gz JKFVSHJTWFMXEQ-IRXDYDNUSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000415108507 839217332 /nfs/dbraw/zinc/21/73/32/839217332.db2.gz MIUOLYHSTYQIDM-SJORKVTESA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000415117034 839229980 /nfs/dbraw/zinc/22/99/80/839229980.db2.gz ZETXIDOTHFMYMQ-IRXDYDNUSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3Br)CC2)C1 ZINC000415126525 839233051 /nfs/dbraw/zinc/23/30/51/839233051.db2.gz PLXPWLYDBGMIFL-DOTOQJQBSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)ccc3Cl)CC2)C1 ZINC000415126838 839236850 /nfs/dbraw/zinc/23/68/50/839236850.db2.gz QGFFYYPXMXWZGF-DOTOQJQBSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@@H](c1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000415189894 839361763 /nfs/dbraw/zinc/36/17/63/839361763.db2.gz WSFWIGJNCXBMRZ-AVRDEDQJSA-N 2 1 396.535 3.682 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1)C[C@H]1CCCCO1 ZINC000584529691 839550562 /nfs/dbraw/zinc/55/05/62/839550562.db2.gz UNIXCZNHPHYPTI-BBTUJRGHSA-N 2 1 390.572 3.713 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000580463584 839602364 /nfs/dbraw/zinc/60/23/64/839602364.db2.gz SNQAAYUMWWFSMF-DHIUTWEWSA-N 2 1 383.580 3.635 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000580553012 839797538 /nfs/dbraw/zinc/79/75/38/839797538.db2.gz LKZIFOISXJZIIX-UKILVPOCSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000644651435 839914262 /nfs/dbraw/zinc/91/42/62/839914262.db2.gz JOEWANPPNCMREE-PKTZIBPZSA-N 2 1 382.548 3.627 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431849171 839920695 /nfs/dbraw/zinc/92/06/95/839920695.db2.gz CAAQRXFHYQZWLO-WTIAFYNJSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000418455966 840259913 /nfs/dbraw/zinc/25/99/13/840259913.db2.gz FHMBEKDEJOOKGJ-GOSISDBHSA-N 2 1 380.536 3.512 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126668681 840280765 /nfs/dbraw/zinc/28/07/65/840280765.db2.gz KXXAFOZADZRUHM-HZTRTUMWSA-N 2 1 379.932 3.671 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126668681 840280770 /nfs/dbraw/zinc/28/07/70/840280770.db2.gz KXXAFOZADZRUHM-HZTRTUMWSA-N 2 1 379.932 3.671 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](NC[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693462 840337579 /nfs/dbraw/zinc/33/75/79/840337579.db2.gz QRCHMLGHVBUQGE-RPBOFIJWSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](NC[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693462 840337590 /nfs/dbraw/zinc/33/75/90/840337590.db2.gz QRCHMLGHVBUQGE-RPBOFIJWSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693462 840337598 /nfs/dbraw/zinc/33/75/98/840337598.db2.gz QRCHMLGHVBUQGE-RPBOFIJWSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693462 840337607 /nfs/dbraw/zinc/33/76/07/840337607.db2.gz QRCHMLGHVBUQGE-RPBOFIJWSA-N 2 1 393.575 3.532 20 0 GHADMP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[N@H+]1Cc1ccccc1 ZINC000390712892 840373347 /nfs/dbraw/zinc/37/33/47/840373347.db2.gz XHFLRZREVRZWGR-IEZKXTBUSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[NH+]1Cc1ccccc1 ZINC000390712892 840373355 /nfs/dbraw/zinc/37/33/55/840373355.db2.gz XHFLRZREVRZWGR-IEZKXTBUSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[NH+]1Cc1ccccc1 ZINC000390712892 840373364 /nfs/dbraw/zinc/37/33/64/840373364.db2.gz XHFLRZREVRZWGR-IEZKXTBUSA-N 2 1 393.575 3.530 20 0 GHADMP CC[C@H]1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000458809333 840382586 /nfs/dbraw/zinc/38/25/86/840382586.db2.gz FVXRUJJAQICTOE-XUTJKUGGSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417032283 840393634 /nfs/dbraw/zinc/39/36/34/840393634.db2.gz DVDQRULGWOVECT-GCJKJVERSA-N 2 1 382.552 3.793 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1)C1CC1 ZINC000511600155 840404477 /nfs/dbraw/zinc/40/44/77/840404477.db2.gz RTDAECANGFPSMC-QFIPXVFZSA-N 2 1 395.547 3.712 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1)C1CC1 ZINC000511600155 840404487 /nfs/dbraw/zinc/40/44/87/840404487.db2.gz RTDAECANGFPSMC-QFIPXVFZSA-N 2 1 395.547 3.712 20 0 GHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1 ZINC000614090998 844536515 /nfs/dbraw/zinc/53/65/15/844536515.db2.gz BPTJRCFCZHDLEB-XZOQPEGZSA-N 2 1 395.522 3.577 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1 ZINC000614090998 844536521 /nfs/dbraw/zinc/53/65/21/844536521.db2.gz BPTJRCFCZHDLEB-XZOQPEGZSA-N 2 1 395.522 3.577 20 0 GHADMP CN(C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601478219 840486642 /nfs/dbraw/zinc/48/66/42/840486642.db2.gz XUFLVLMQMKGOGI-NKKJXINNSA-N 2 1 391.559 3.570 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000431926261 840516225 /nfs/dbraw/zinc/51/62/25/840516225.db2.gz VRKFYRKNUUOFHY-WOJBJXKFSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000417221429 840614769 /nfs/dbraw/zinc/61/47/69/840614769.db2.gz OSLXQXKVJAGWQZ-OALUTQOASA-N 2 1 386.584 3.638 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H](N3CCOCC3)CC2)c(C)c1 ZINC000660479805 840630424 /nfs/dbraw/zinc/63/04/24/840630424.db2.gz PAJRXSDZXPSNEJ-NRFANRHFSA-N 2 1 387.568 3.517 20 0 GHADMP C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548153852 840664917 /nfs/dbraw/zinc/66/49/17/840664917.db2.gz XCKHPCXOWADJSU-SIKLNZKXSA-N 2 1 383.580 3.668 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1)C1CC1 ZINC000511785253 840750356 /nfs/dbraw/zinc/75/03/56/840750356.db2.gz NLEAWBHGAMEURR-JOCHJYFZSA-N 2 1 379.548 3.574 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000660541893 840839178 /nfs/dbraw/zinc/83/91/78/840839178.db2.gz YUXJHPVZUMMTIM-RDGATRHJSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000660541893 840839186 /nfs/dbraw/zinc/83/91/86/840839186.db2.gz YUXJHPVZUMMTIM-RDGATRHJSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000660541893 840839198 /nfs/dbraw/zinc/83/91/98/840839198.db2.gz YUXJHPVZUMMTIM-RDGATRHJSA-N 2 1 397.607 3.869 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000417940062 841297576 /nfs/dbraw/zinc/29/75/76/841297576.db2.gz KZFRMILYLHURAH-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000893328079 841340683 /nfs/dbraw/zinc/34/06/83/841340683.db2.gz UFUNHDYAZFMJGF-UHFFFAOYSA-N 2 1 399.539 3.954 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000893328079 841340693 /nfs/dbraw/zinc/34/06/93/841340693.db2.gz UFUNHDYAZFMJGF-UHFFFAOYSA-N 2 1 399.539 3.954 20 0 GHADMP COc1cc(F)c(F)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001143392838 841361855 /nfs/dbraw/zinc/36/18/55/841361855.db2.gz FPMKIRWTYVIOMI-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)C2)n(C)n1 ZINC000581444018 841402706 /nfs/dbraw/zinc/40/27/06/841402706.db2.gz ZHAFYOPDZXKIJB-KOENEWCDSA-N 2 1 395.595 3.730 20 0 GHADMP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]([NH3+])c1ccccc1 ZINC000662715298 841456203 /nfs/dbraw/zinc/45/62/03/841456203.db2.gz MVNAOQPZDUGJSB-AJSBUHFISA-N 2 1 391.559 3.741 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(c2ccco2)CC1 ZINC000661162176 841472441 /nfs/dbraw/zinc/47/24/41/841472441.db2.gz KOWARZCRTDJQRR-IBGZPJMESA-N 2 1 395.547 3.628 20 0 GHADMP Cc1cc(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc(N2CCCC2)[nH+]1 ZINC000418203901 841644161 /nfs/dbraw/zinc/64/41/61/841644161.db2.gz WOHSVNNTMNFOSK-NRFANRHFSA-N 2 1 395.551 3.613 20 0 GHADMP [NH3+][C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000662832757 841725663 /nfs/dbraw/zinc/72/56/63/841725663.db2.gz YCZDHRITPHQDKP-LJQANCHMSA-N 2 1 391.487 3.791 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000581655294 841903922 /nfs/dbraw/zinc/90/39/22/841903922.db2.gz LOXOERKVZQLQQL-HSZRJFAPSA-N 2 1 382.523 3.717 20 0 GHADMP Brc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166356183 842017159 /nfs/dbraw/zinc/01/71/59/842017159.db2.gz LKCVHIRASSWPGS-RBUKOAKNSA-N 2 1 393.369 3.714 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 ZINC001167824275 842018525 /nfs/dbraw/zinc/01/85/25/842018525.db2.gz GLAJNZNXGCQWNG-OYDLWJJNSA-N 2 1 385.596 3.761 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001167825083 842038248 /nfs/dbraw/zinc/03/82/48/842038248.db2.gz JWBNTNXSVBGILB-UYAOXDASSA-N 2 1 395.542 3.525 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001167828139 842105159 /nfs/dbraw/zinc/10/51/59/842105159.db2.gz WQPCQFKEFQMNIK-VGOFRKELSA-N 2 1 393.522 3.904 20 0 GHADMP CCOC[C@@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2cnn(CC3CC3)c21 ZINC001167828439 842117535 /nfs/dbraw/zinc/11/75/35/842117535.db2.gz YLOIDZZWSZJTAY-RXVVDRJESA-N 2 1 376.589 3.739 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348840 842328296 /nfs/dbraw/zinc/32/82/96/842328296.db2.gz SWNKAYUQRUHDFU-FSZRXZPDSA-N 2 1 378.467 3.711 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCOC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167841356 842412166 /nfs/dbraw/zinc/41/21/66/842412166.db2.gz LBPOKHPCOMVLIM-UXHICEINSA-N 2 1 399.620 3.845 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000432419332 842438618 /nfs/dbraw/zinc/43/86/18/842438618.db2.gz BDKSFLUVBWOJSD-DLBZAZTESA-N 2 1 390.959 3.986 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000432419332 842438622 /nfs/dbraw/zinc/43/86/22/842438622.db2.gz BDKSFLUVBWOJSD-DLBZAZTESA-N 2 1 390.959 3.986 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000432419334 842438867 /nfs/dbraw/zinc/43/88/67/842438867.db2.gz BDKSFLUVBWOJSD-IRXDYDNUSA-N 2 1 390.959 3.986 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000432419334 842438878 /nfs/dbraw/zinc/43/88/78/842438878.db2.gz BDKSFLUVBWOJSD-IRXDYDNUSA-N 2 1 390.959 3.986 20 0 GHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000430672661 842448092 /nfs/dbraw/zinc/44/80/92/842448092.db2.gz VTBPPLBRQDTOMR-QGZVFWFLSA-N 2 1 377.598 3.506 20 0 GHADMP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)c1Br ZINC000279067358 842549890 /nfs/dbraw/zinc/54/98/90/842549890.db2.gz FVSFAKDCIGWRAY-UHFFFAOYSA-N 2 1 379.346 3.621 20 0 GHADMP Cc1nn(C)c(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1Br ZINC000279067358 842549895 /nfs/dbraw/zinc/54/98/95/842549895.db2.gz FVSFAKDCIGWRAY-UHFFFAOYSA-N 2 1 379.346 3.621 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296541 843094016 /nfs/dbraw/zinc/09/40/16/843094016.db2.gz LVBABBXBTPEBJT-APWZRJJASA-N 2 1 377.960 3.571 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)[C@@H]1CCC[NH3+] ZINC000662317255 843143131 /nfs/dbraw/zinc/14/31/31/843143131.db2.gz PHLHQPRLTBQQBF-VQIMIIECSA-N 2 1 386.565 3.664 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182303310 843165415 /nfs/dbraw/zinc/16/54/15/843165415.db2.gz UFEXOWXGLDNUDT-PKTZIBPZSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662387218 843183408 /nfs/dbraw/zinc/18/34/08/843183408.db2.gz DEXPGIQDLZJDIL-INIZCTEOSA-N 2 1 383.561 3.698 20 0 GHADMP C[NH2+][C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662401243 843185811 /nfs/dbraw/zinc/18/58/11/843185811.db2.gz KOAHPBBJUQTDPZ-SFHVURJKSA-N 2 1 386.367 3.833 20 0 GHADMP C[NH2+][C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662401243 843185821 /nfs/dbraw/zinc/18/58/21/843185821.db2.gz KOAHPBBJUQTDPZ-SFHVURJKSA-N 2 1 386.367 3.833 20 0 GHADMP CCN(CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241874 843193724 /nfs/dbraw/zinc/19/37/24/843193724.db2.gz HQVXUZQMLJPFMN-HXUWFJFHSA-N 2 1 383.502 3.859 20 0 GHADMP CCN(CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241874 843193728 /nfs/dbraw/zinc/19/37/28/843193728.db2.gz HQVXUZQMLJPFMN-HXUWFJFHSA-N 2 1 383.502 3.859 20 0 GHADMP CCN(CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241874 843193733 /nfs/dbraw/zinc/19/37/33/843193733.db2.gz HQVXUZQMLJPFMN-HXUWFJFHSA-N 2 1 383.502 3.859 20 0 GHADMP CN(C(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000512253537 843234072 /nfs/dbraw/zinc/23/40/72/843234072.db2.gz QFPGSJSOSPVMOL-XMMPIXPASA-N 2 1 377.532 3.638 20 0 GHADMP CN(C(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000512253537 843234083 /nfs/dbraw/zinc/23/40/83/843234083.db2.gz QFPGSJSOSPVMOL-XMMPIXPASA-N 2 1 377.532 3.638 20 0 GHADMP CN(C(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000512253537 843234093 /nfs/dbraw/zinc/23/40/93/843234093.db2.gz QFPGSJSOSPVMOL-XMMPIXPASA-N 2 1 377.532 3.638 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512256864 843245113 /nfs/dbraw/zinc/24/51/13/843245113.db2.gz CIGNIMBEMJKHIT-WHLIWEHUSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000512295715 843340233 /nfs/dbraw/zinc/34/02/33/843340233.db2.gz URLZULMEXWFHSM-RUZDIDTESA-N 2 1 397.607 3.869 20 0 GHADMP CCN(C(=O)c1cc2c(s1)CC[NH2+]C2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662502172 843354468 /nfs/dbraw/zinc/35/44/68/843354468.db2.gz IQHLVAKEDMNFHB-LPHOPBHVSA-N 2 1 383.561 3.691 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000500442293 843357177 /nfs/dbraw/zinc/35/71/77/843357177.db2.gz TUFKOJMANJMRQH-IEXUWNMDSA-N 2 1 379.548 3.854 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(Cl)cc1 ZINC000432652478 843363480 /nfs/dbraw/zinc/36/34/80/843363480.db2.gz HNMQUDFXMASMJY-SFHVURJKSA-N 2 1 389.952 3.984 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(Cl)cc1 ZINC000432652478 843363487 /nfs/dbraw/zinc/36/34/87/843363487.db2.gz HNMQUDFXMASMJY-SFHVURJKSA-N 2 1 389.952 3.984 20 0 GHADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662513124 843375393 /nfs/dbraw/zinc/37/53/93/843375393.db2.gz YZGGWWYPXTWNEW-DKICVRJWSA-N 2 1 383.939 3.599 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000662512548 843377740 /nfs/dbraw/zinc/37/77/40/843377740.db2.gz SCGAVGFYVMHEQJ-YUXAGFNASA-N 2 1 397.950 3.894 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000662512548 843377751 /nfs/dbraw/zinc/37/77/51/843377751.db2.gz SCGAVGFYVMHEQJ-YUXAGFNASA-N 2 1 397.950 3.894 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H](C(=O)N(C)C)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512326522 843381681 /nfs/dbraw/zinc/38/16/81/843381681.db2.gz RVOITMNNDMEWQG-NWSQWKLXSA-N 2 1 379.548 3.706 20 0 GHADMP Oc1cccc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC001167804666 843480349 /nfs/dbraw/zinc/48/03/49/843480349.db2.gz QAXRAWYXDMRQNT-UHFFFAOYSA-N 2 1 379.548 3.696 20 0 GHADMP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000418696776 843542968 /nfs/dbraw/zinc/54/29/68/843542968.db2.gz MRFPWVBGXHZHEE-FQEVSTJZSA-N 2 1 394.563 3.621 20 0 GHADMP CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411693864 843843131 /nfs/dbraw/zinc/84/31/31/843843131.db2.gz QROYMSWUPROYCE-UHFFFAOYSA-N 2 1 385.577 3.872 20 0 GHADMP CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411693864 843843141 /nfs/dbraw/zinc/84/31/41/843843141.db2.gz QROYMSWUPROYCE-UHFFFAOYSA-N 2 1 385.577 3.872 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000536235464 844007917 /nfs/dbraw/zinc/00/79/17/844007917.db2.gz WYWFXOWXGSORKJ-VXKWHMMOSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536235464 844007924 /nfs/dbraw/zinc/00/79/24/844007924.db2.gz WYWFXOWXGSORKJ-VXKWHMMOSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536235464 844007930 /nfs/dbraw/zinc/00/79/30/844007930.db2.gz WYWFXOWXGSORKJ-VXKWHMMOSA-N 2 1 386.584 3.585 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000729032870 844696718 /nfs/dbraw/zinc/69/67/18/844696718.db2.gz PWFYPKWZDHFNPY-FXAWDEMLSA-N 2 1 395.385 3.926 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000729032870 844696727 /nfs/dbraw/zinc/69/67/27/844696727.db2.gz PWFYPKWZDHFNPY-FXAWDEMLSA-N 2 1 395.385 3.926 20 0 GHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(C[NH+](C)C)c(C)c3)CC2)cs1 ZINC000458295406 844804292 /nfs/dbraw/zinc/80/42/92/844804292.db2.gz WKODBZJMAFYYCB-UHFFFAOYSA-N 2 1 386.565 3.672 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(Cl)cn1 ZINC000433045184 845071569 /nfs/dbraw/zinc/07/15/69/845071569.db2.gz PXBXSCQCRBBFPW-UHFFFAOYSA-N 2 1 398.938 3.662 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(Cl)cn1 ZINC000433045184 845071573 /nfs/dbraw/zinc/07/15/73/845071573.db2.gz PXBXSCQCRBBFPW-UHFFFAOYSA-N 2 1 398.938 3.662 20 0 GHADMP C[C@@H]1C[C@@H](CCNc2cc(N3CCSCC3)ncn2)C[N@H+]1Cc1ccccc1 ZINC000433765397 845330794 /nfs/dbraw/zinc/33/07/94/845330794.db2.gz HUHQFOPCJWIRTG-UYAOXDASSA-N 2 1 397.592 3.742 20 0 GHADMP COC(=O)c1cc(F)ccc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391702 861561076 /nfs/dbraw/zinc/56/10/76/861561076.db2.gz SXRAJNDHEDGBKA-UHFFFAOYSA-N 2 1 385.483 3.746 20 0 GHADMP C[C@@H]1C[C@H](N(C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000892006851 845395757 /nfs/dbraw/zinc/39/57/57/845395757.db2.gz CPTWQXIZWOYRLA-AYWYSENESA-N 2 1 376.516 3.605 20 0 GHADMP C[C@@H]1C[C@H](N(C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000892006851 845395764 /nfs/dbraw/zinc/39/57/64/845395764.db2.gz CPTWQXIZWOYRLA-AYWYSENESA-N 2 1 376.516 3.605 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000511011220 845554879 /nfs/dbraw/zinc/55/48/79/845554879.db2.gz HRDJHBROQSBHTM-CQSZACIVSA-N 2 1 397.304 3.797 20 0 GHADMP CCn1nc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c2ccccc21 ZINC000472055989 845614443 /nfs/dbraw/zinc/61/44/43/845614443.db2.gz RGVJTNZJYAMOFJ-DEOSSOPVSA-N 2 1 391.563 3.525 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433957853 845667728 /nfs/dbraw/zinc/66/77/28/845667728.db2.gz LEBUUKNAJZGOPV-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[C@H]1CC[N@H+](CC)C1 ZINC000664209224 845683165 /nfs/dbraw/zinc/68/31/65/845683165.db2.gz CKGHZYLPSMSMRV-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[C@H]1CC[N@@H+](CC)C1 ZINC000664209224 845683169 /nfs/dbraw/zinc/68/31/69/845683169.db2.gz CKGHZYLPSMSMRV-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CC[NH+](CC)C1 ZINC000664209224 845683175 /nfs/dbraw/zinc/68/31/75/845683175.db2.gz CKGHZYLPSMSMRV-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CC[NH+](CC)C1 ZINC000664209224 845683179 /nfs/dbraw/zinc/68/31/79/845683179.db2.gz CKGHZYLPSMSMRV-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000664211765 845710634 /nfs/dbraw/zinc/71/06/34/845710634.db2.gz DYXZRZIJQJPNMT-FUHWJXTLSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000664211765 845710642 /nfs/dbraw/zinc/71/06/42/845710642.db2.gz DYXZRZIJQJPNMT-FUHWJXTLSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000664211765 845710650 /nfs/dbraw/zinc/71/06/50/845710650.db2.gz DYXZRZIJQJPNMT-FUHWJXTLSA-N 2 1 380.602 3.551 20 0 GHADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1)C[C@@H]1CCCC[C@H]1O ZINC000481541745 861637453 /nfs/dbraw/zinc/63/74/53/861637453.db2.gz KPWKDILHLVFFIA-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000481541745 861637461 /nfs/dbraw/zinc/63/74/61/861637461.db2.gz KPWKDILHLVFFIA-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000481541745 861637469 /nfs/dbraw/zinc/63/74/69/861637469.db2.gz KPWKDILHLVFFIA-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C4CC4)c3)c2)C1 ZINC000421365217 846178573 /nfs/dbraw/zinc/17/85/73/846178573.db2.gz QLRBTDDSMVZWTQ-HSZRJFAPSA-N 2 1 377.532 3.551 20 0 GHADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C[NH+]1CCCCC1 ZINC000513647312 846211252 /nfs/dbraw/zinc/21/12/52/846211252.db2.gz GHLKQFWYTZHINB-INIZCTEOSA-N 2 1 391.357 3.846 20 0 GHADMP CCC[C@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501068499 846599990 /nfs/dbraw/zinc/59/99/90/846599990.db2.gz MBCMWMIFOQUQIJ-QHCPKHFHSA-N 2 1 394.563 3.887 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000503162055 846858675 /nfs/dbraw/zinc/85/86/75/846858675.db2.gz NPAQPFYSMUAABB-LJQANCHMSA-N 2 1 394.629 3.720 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000501399092 846891048 /nfs/dbraw/zinc/89/10/48/846891048.db2.gz KSKCCGQJCZGYKC-SAPNQHFASA-N 2 1 383.502 3.972 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501663270 847083400 /nfs/dbraw/zinc/08/34/00/847083400.db2.gz AUSQKLSTLHGSRZ-RTWAWAEBSA-N 2 1 397.567 3.744 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272676490 847143132 /nfs/dbraw/zinc/14/31/32/847143132.db2.gz RAWMFRFDRYPJRU-XMSQKQJNSA-N 2 1 375.520 3.576 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272711361 847152489 /nfs/dbraw/zinc/15/24/89/847152489.db2.gz CQYVBTOSAWMCMV-NKKJXINNSA-N 2 1 391.559 3.535 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC)c(OC)c1 ZINC000272717412 847154391 /nfs/dbraw/zinc/15/43/91/847154391.db2.gz DISVYXLTCLKVBQ-LEWJYISDSA-N 2 1 384.520 3.511 20 0 GHADMP C[C@H](Nc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272857688 847191513 /nfs/dbraw/zinc/19/15/13/847191513.db2.gz UGQVDYIXUCGSJI-PZJWPPBQSA-N 2 1 379.548 3.970 20 0 GHADMP CC1(C)CCC[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000582423453 847197715 /nfs/dbraw/zinc/19/77/15/847197715.db2.gz YUWWJKYHPHIZER-SFHVURJKSA-N 2 1 397.485 3.564 20 0 GHADMP Cc1cc(Br)ccc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501899754 847308265 /nfs/dbraw/zinc/30/82/65/847308265.db2.gz LWXNMBJSRBDBGC-UHFFFAOYSA-N 2 1 382.390 3.605 20 0 GHADMP C[C@@H](CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000501951505 847341228 /nfs/dbraw/zinc/34/12/28/847341228.db2.gz VZVSSTVUUGAGJI-XUZZJYLKSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000159122797 847489499 /nfs/dbraw/zinc/48/94/99/847489499.db2.gz RRARDWGTCXYVHP-IBGZPJMESA-N 2 1 381.520 3.507 20 0 GHADMP CC1(C)CCc2cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)ccc2O1 ZINC000731675717 861805343 /nfs/dbraw/zinc/80/53/43/861805343.db2.gz VSEZEBJHWFTUQE-UHFFFAOYSA-N 2 1 380.532 3.912 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCN3CCc4sccc4C3)CC2)cc1 ZINC000132861519 847588142 /nfs/dbraw/zinc/58/81/42/847588142.db2.gz RFCJKSKFKIBUBE-UHFFFAOYSA-N 2 1 387.568 3.542 20 0 GHADMP Fc1cccc(CC2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCOCC2)c1 ZINC000420974021 847601441 /nfs/dbraw/zinc/60/14/41/847601441.db2.gz NXXHOEQTDKZKHL-UHFFFAOYSA-N 2 1 398.522 3.539 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299305 847618188 /nfs/dbraw/zinc/61/81/88/847618188.db2.gz JKJGERFDLXUACO-SFHVURJKSA-N 2 1 381.358 3.914 20 0 GHADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299305 847618191 /nfs/dbraw/zinc/61/81/91/847618191.db2.gz JKJGERFDLXUACO-SFHVURJKSA-N 2 1 381.358 3.914 20 0 GHADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299305 847618196 /nfs/dbraw/zinc/61/81/96/847618196.db2.gz JKJGERFDLXUACO-SFHVURJKSA-N 2 1 381.358 3.914 20 0 GHADMP C[C@H](NC(C)(C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422726155 847798591 /nfs/dbraw/zinc/79/85/91/847798591.db2.gz DGLCNGCSXUJNLX-XZOYJPPVSA-N 2 1 379.548 3.961 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854051 847856020 /nfs/dbraw/zinc/85/60/20/847856020.db2.gz CKHACIZXKZTUEH-VWNXMTODSA-N 3 1 379.548 3.872 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854051 847856034 /nfs/dbraw/zinc/85/60/34/847856034.db2.gz CKHACIZXKZTUEH-VWNXMTODSA-N 2 1 379.548 3.872 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854051 847856040 /nfs/dbraw/zinc/85/60/40/847856040.db2.gz CKHACIZXKZTUEH-VWNXMTODSA-N 2 1 379.548 3.872 20 0 GHADMP c1ccc(CCN2CCC([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422842372 847862707 /nfs/dbraw/zinc/86/27/07/847862707.db2.gz FQMLMHFVXBRRTN-ILBGXUMGSA-N 2 1 391.559 3.539 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cs1 ZINC000422916070 847886038 /nfs/dbraw/zinc/88/60/38/847886038.db2.gz ZSMYDZJWXQRYFR-IEBWSBKVSA-N 3 1 378.630 3.818 20 0 GHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422976225 847925045 /nfs/dbraw/zinc/92/50/45/847925045.db2.gz URTAZEQTCYVGCE-NTKDMRAZSA-N 2 1 386.543 3.692 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000511190836 848202577 /nfs/dbraw/zinc/20/25/77/848202577.db2.gz ZWEWNJPGFCUOIN-UHFFFAOYSA-N 2 1 396.362 3.683 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000511190836 848202585 /nfs/dbraw/zinc/20/25/85/848202585.db2.gz ZWEWNJPGFCUOIN-UHFFFAOYSA-N 2 1 396.362 3.683 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511206527 848544852 /nfs/dbraw/zinc/54/48/52/848544852.db2.gz NVKHCMJMAYJDLD-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678507 848585974 /nfs/dbraw/zinc/58/59/74/848585974.db2.gz RWBNUJODZQKJOL-GOSISDBHSA-N 2 1 389.971 3.941 20 0 GHADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678507 848585985 /nfs/dbraw/zinc/58/59/85/848585985.db2.gz RWBNUJODZQKJOL-GOSISDBHSA-N 2 1 389.971 3.941 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000472274380 848819492 /nfs/dbraw/zinc/81/94/92/848819492.db2.gz GXTYOMCHNJAXBD-AZUAARDMSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000472274380 848819496 /nfs/dbraw/zinc/81/94/96/848819496.db2.gz GXTYOMCHNJAXBD-AZUAARDMSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431512527 848822218 /nfs/dbraw/zinc/82/22/18/848822218.db2.gz GKHLGBJUPICBGM-GOSISDBHSA-N 2 1 385.556 3.581 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000472276033 848904051 /nfs/dbraw/zinc/90/40/51/848904051.db2.gz LJAWSZUDSMQIEJ-NRFANRHFSA-N 2 1 395.547 3.725 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000472276033 848904058 /nfs/dbraw/zinc/90/40/58/848904058.db2.gz LJAWSZUDSMQIEJ-NRFANRHFSA-N 2 1 395.547 3.725 20 0 GHADMP COc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136291 849151863 /nfs/dbraw/zinc/15/18/63/849151863.db2.gz PFFSHGMJWLOGAR-FXAWDEMLSA-N 2 1 384.520 3.894 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066997 849289797 /nfs/dbraw/zinc/28/97/97/849289797.db2.gz BUZBAWLOMKOWFG-ZJSXRUAMSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066997 849289805 /nfs/dbraw/zinc/28/98/05/849289805.db2.gz BUZBAWLOMKOWFG-ZJSXRUAMSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066997 849289816 /nfs/dbraw/zinc/28/98/16/849289816.db2.gz BUZBAWLOMKOWFG-ZJSXRUAMSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000092066997 849289824 /nfs/dbraw/zinc/28/98/24/849289824.db2.gz BUZBAWLOMKOWFG-ZJSXRUAMSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000092066997 849289836 /nfs/dbraw/zinc/28/98/36/849289836.db2.gz BUZBAWLOMKOWFG-ZJSXRUAMSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066997 849289847 /nfs/dbraw/zinc/28/98/47/849289847.db2.gz BUZBAWLOMKOWFG-ZJSXRUAMSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066997 849289851 /nfs/dbraw/zinc/28/98/51/849289851.db2.gz BUZBAWLOMKOWFG-ZJSXRUAMSA-N 2 1 383.580 3.610 20 0 GHADMP Cn1cc(CC[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000625466434 862012221 /nfs/dbraw/zinc/01/22/21/862012221.db2.gz STHHTAQGIIAQBF-HSZRJFAPSA-N 2 1 381.568 3.514 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583263667 849467408 /nfs/dbraw/zinc/46/74/08/849467408.db2.gz MUTURFILBCYWHR-AEGPPILISA-N 2 1 380.414 3.748 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503912910 849773424 /nfs/dbraw/zinc/77/34/24/849773424.db2.gz TXPFQJQXALOYIV-HFAKWTLXSA-N 2 1 392.712 3.763 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(I)c(Cl)c1 ZINC000503912910 849773418 /nfs/dbraw/zinc/77/34/18/849773418.db2.gz TXPFQJQXALOYIV-HFAKWTLXSA-N 2 1 392.712 3.763 20 0 GHADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000414729949 849841716 /nfs/dbraw/zinc/84/17/16/849841716.db2.gz GEFMYKRBHVWRKX-RYUDHWBXSA-N 2 1 377.838 3.617 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504038983 849849995 /nfs/dbraw/zinc/84/99/95/849849995.db2.gz FKBCTADHTPNMIZ-XJABCFGWSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504038983 849850001 /nfs/dbraw/zinc/85/00/01/849850001.db2.gz FKBCTADHTPNMIZ-XJABCFGWSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504038983 849850010 /nfs/dbraw/zinc/85/00/10/849850010.db2.gz FKBCTADHTPNMIZ-XJABCFGWSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504038983 849850014 /nfs/dbraw/zinc/85/00/14/849850014.db2.gz FKBCTADHTPNMIZ-XJABCFGWSA-N 2 1 393.522 3.869 20 0 GHADMP CCc1ccc([C@@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)cc3)CC[NH2+]2)cc1 ZINC000505556675 849863925 /nfs/dbraw/zinc/86/39/25/849863925.db2.gz BWVQHRHNHQIDPY-QHCPKHFHSA-N 2 1 379.548 3.878 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423346595 849864028 /nfs/dbraw/zinc/86/40/28/849864028.db2.gz YUADBZQOVJRCMW-HQTOUJSTSA-N 2 1 393.575 3.641 20 0 GHADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000414733824 849869030 /nfs/dbraw/zinc/86/90/30/849869030.db2.gz DBCGKZUXRNMXIH-WBVHZDCISA-N 2 1 381.358 3.818 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583422685 849869336 /nfs/dbraw/zinc/86/93/36/849869336.db2.gz ZDJPUVOMDXFAPB-AMYLDRNJSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583422685 849869347 /nfs/dbraw/zinc/86/93/47/849869347.db2.gz ZDJPUVOMDXFAPB-AMYLDRNJSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000583422685 849869356 /nfs/dbraw/zinc/86/93/56/849869356.db2.gz ZDJPUVOMDXFAPB-AMYLDRNJSA-N 2 1 392.628 3.798 20 0 GHADMP CCc1ccc([C@@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC[NH2+]2)cc1 ZINC000505564557 849886325 /nfs/dbraw/zinc/88/63/25/849886325.db2.gz FKVPHCRTTDHVSB-QHCPKHFHSA-N 2 1 386.499 3.596 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423364188 849886407 /nfs/dbraw/zinc/88/64/07/849886407.db2.gz JSNKAKMWCYMRIN-SPUIBGILSA-N 2 1 380.479 3.512 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cnn1-c1cc(C)ccc1C ZINC000423502439 849945286 /nfs/dbraw/zinc/94/52/86/849945286.db2.gz FBOMHMDNBSVQNJ-JSRJAPPDSA-N 2 1 395.595 3.665 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)cc1 ZINC000423507990 849949116 /nfs/dbraw/zinc/94/91/16/849949116.db2.gz KHSCJWXNUVWVQC-UBVWURDFSA-N 2 1 379.548 3.591 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C ZINC000544236063 849957797 /nfs/dbraw/zinc/95/77/97/849957797.db2.gz LXBNBGHXKUCGBC-ICSRJNTNSA-N 2 1 388.600 3.976 20 0 GHADMP NC1(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423553417 849979885 /nfs/dbraw/zinc/97/98/85/849979885.db2.gz GVQRGWFKIDIUJK-NRFANRHFSA-N 2 1 381.568 3.614 20 0 GHADMP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000505592846 850026714 /nfs/dbraw/zinc/02/67/14/850026714.db2.gz VJDRTKVQDSOHCR-RDTXWAMCSA-N 2 1 399.445 3.626 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760972 850058762 /nfs/dbraw/zinc/05/87/62/850058762.db2.gz ZNQOBJMOVVQAGR-LPHOPBHVSA-N 2 1 397.485 3.820 20 0 GHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000518769554 850067552 /nfs/dbraw/zinc/06/75/52/850067552.db2.gz DCXISRFAPYQNSY-UHFFFAOYSA-N 2 1 377.536 3.813 20 0 GHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000518769554 850067560 /nfs/dbraw/zinc/06/75/60/850067560.db2.gz DCXISRFAPYQNSY-UHFFFAOYSA-N 2 1 377.536 3.813 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000423958329 850122215 /nfs/dbraw/zinc/12/22/15/850122215.db2.gz BAIGZCLBRBTRKF-DNQXCXABSA-N 2 1 391.559 3.923 20 0 GHADMP CCC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000486831247 850136089 /nfs/dbraw/zinc/13/60/89/850136089.db2.gz HDZSOQTUWLXQBC-QFIPXVFZSA-N 2 1 379.548 3.875 20 0 GHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000505630796 850220233 /nfs/dbraw/zinc/22/02/33/850220233.db2.gz FYMZIGYNOQPMGE-ZJSXRUAMSA-N 2 1 392.547 3.657 20 0 GHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000505630796 850220249 /nfs/dbraw/zinc/22/02/49/850220249.db2.gz FYMZIGYNOQPMGE-ZJSXRUAMSA-N 2 1 392.547 3.657 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424293668 850337074 /nfs/dbraw/zinc/33/70/74/850337074.db2.gz PKJYLIMAPDLJKH-UGKGYDQZSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000424301109 850343210 /nfs/dbraw/zinc/34/32/10/850343210.db2.gz XAFFQIAXPFKYLF-ZIAGYGMSSA-N 2 1 384.351 3.635 20 0 GHADMP CCOc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(Br)c1OC ZINC000424372077 850411744 /nfs/dbraw/zinc/41/17/44/850411744.db2.gz FKQFDONYWRJJTM-AWEZNQCLSA-N 2 1 397.357 3.820 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514872403 850415192 /nfs/dbraw/zinc/41/51/92/850415192.db2.gz ZIJMMYYPLRPDOC-HUVFLSCGSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514872403 850415199 /nfs/dbraw/zinc/41/51/99/850415199.db2.gz ZIJMMYYPLRPDOC-HUVFLSCGSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514872403 850415206 /nfs/dbraw/zinc/41/52/06/850415206.db2.gz ZIJMMYYPLRPDOC-HUVFLSCGSA-N 2 1 391.559 3.535 20 0 GHADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000435377386 850426032 /nfs/dbraw/zinc/42/60/32/850426032.db2.gz BAIKORRPPQYOLN-UHFFFAOYSA-N 2 1 377.330 3.661 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000424438581 850449850 /nfs/dbraw/zinc/44/98/50/850449850.db2.gz QDXQPYJWAGECLJ-AVRDEDQJSA-N 2 1 380.536 3.971 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1F ZINC000504928873 850465710 /nfs/dbraw/zinc/46/57/10/850465710.db2.gz DZVPBUWFPGDTAX-XMSQKQJNSA-N 2 1 385.527 3.864 20 0 GHADMP c1csc(-c2noc(CCC[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)n2)c1 ZINC000435626872 850722231 /nfs/dbraw/zinc/72/22/31/850722231.db2.gz LUZKRPPWOPQLNT-GOSISDBHSA-N 2 1 397.548 3.770 20 0 GHADMP c1csc(-c2noc(CCC[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)n2)c1 ZINC000435626872 850722233 /nfs/dbraw/zinc/72/22/33/850722233.db2.gz LUZKRPPWOPQLNT-GOSISDBHSA-N 2 1 397.548 3.770 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000519225949 850779817 /nfs/dbraw/zinc/77/98/17/850779817.db2.gz ADPJMBADTWKDNA-QZTJIDSGSA-N 2 1 377.548 3.835 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966130 850824972 /nfs/dbraw/zinc/82/49/72/850824972.db2.gz QTVMSFZPPCLMIH-PANBIXPWSA-N 2 1 377.573 3.627 20 0 GHADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)sc2C1 ZINC000425075490 851044594 /nfs/dbraw/zinc/04/45/94/851044594.db2.gz DQUCIJQTXBJPSI-MRXNPFEDSA-N 2 1 376.570 3.645 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)sc2C1 ZINC000425075490 851044600 /nfs/dbraw/zinc/04/46/00/851044600.db2.gz DQUCIJQTXBJPSI-MRXNPFEDSA-N 2 1 376.570 3.645 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)sc2C1 ZINC000425075490 851044608 /nfs/dbraw/zinc/04/46/08/851044608.db2.gz DQUCIJQTXBJPSI-MRXNPFEDSA-N 2 1 376.570 3.645 20 0 GHADMP Cc1ccccc1C(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000426636440 851072337 /nfs/dbraw/zinc/07/23/37/851072337.db2.gz GBZFRBWXNXECLB-UHFFFAOYSA-N 2 1 399.623 3.927 20 0 GHADMP Cc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)ccc1-n1cncn1 ZINC000569979433 851150223 /nfs/dbraw/zinc/15/02/23/851150223.db2.gz SZLCOFOFJPWASH-XZOQPEGZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1-n1cncn1 ZINC000569979433 851150227 /nfs/dbraw/zinc/15/02/27/851150227.db2.gz SZLCOFOFJPWASH-XZOQPEGZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1-n1cncn1 ZINC000569979433 851150233 /nfs/dbraw/zinc/15/02/33/851150233.db2.gz SZLCOFOFJPWASH-XZOQPEGZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1ncsc1C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000436059003 851157506 /nfs/dbraw/zinc/15/75/06/851157506.db2.gz MLYDYDZEGLEUAH-MRXNPFEDSA-N 2 1 379.957 3.986 20 0 GHADMP Cc1ncsc1C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000436059003 851157509 /nfs/dbraw/zinc/15/75/09/851157509.db2.gz MLYDYDZEGLEUAH-MRXNPFEDSA-N 2 1 379.957 3.986 20 0 GHADMP O=C(Nc1ccccc1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167968838 851307264 /nfs/dbraw/zinc/30/72/64/851307264.db2.gz VTDUGWGXYKKCLS-FRIKZZABSA-N 2 1 382.552 3.678 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnn(C4CCC4)c3)CC2)c1C ZINC000894493437 851528105 /nfs/dbraw/zinc/52/81/05/851528105.db2.gz UKSGUPPPRXRTAP-UHFFFAOYSA-N 2 1 397.567 3.725 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnn(C4CCC4)c3)CC2)c1C ZINC000894493437 851528116 /nfs/dbraw/zinc/52/81/16/851528116.db2.gz UKSGUPPPRXRTAP-UHFFFAOYSA-N 2 1 397.567 3.725 20 0 GHADMP CC(C)(C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975672 851825649 /nfs/dbraw/zinc/82/56/49/851825649.db2.gz TZTDHQBNGGYYLF-YRMMNHGISA-N 2 1 375.601 3.845 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000673961545 862308550 /nfs/dbraw/zinc/30/85/50/862308550.db2.gz TZUNJKIMVPQPLG-QGZVFWFLSA-N 2 1 382.508 3.653 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000673961545 862308564 /nfs/dbraw/zinc/30/85/64/862308564.db2.gz TZUNJKIMVPQPLG-QGZVFWFLSA-N 2 1 382.508 3.653 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc4c(cccc4F)[nH]3)CC2)CC1 ZINC000438095040 852014796 /nfs/dbraw/zinc/01/47/96/852014796.db2.gz HZKYWAXXMBLBOA-UHFFFAOYSA-N 2 1 386.559 3.935 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2c(cccc2F)[nH]1 ZINC000438095040 852014802 /nfs/dbraw/zinc/01/48/02/852014802.db2.gz HZKYWAXXMBLBOA-UHFFFAOYSA-N 3 1 386.559 3.935 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2c(cccc2F)[nH]1 ZINC000438095040 852014809 /nfs/dbraw/zinc/01/48/09/852014809.db2.gz HZKYWAXXMBLBOA-UHFFFAOYSA-N 3 1 386.559 3.935 20 0 GHADMP C[NH+](C)CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC000625553538 862326015 /nfs/dbraw/zinc/32/60/15/862326015.db2.gz GHSSBDJRQSUJSY-UKILVPOCSA-N 2 1 393.575 3.534 20 0 GHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438341260 852288034 /nfs/dbraw/zinc/28/80/34/852288034.db2.gz AQUZWDASPXEPBF-LJQANCHMSA-N 2 1 392.613 3.618 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCC[C@@H]1C ZINC000506916578 852330456 /nfs/dbraw/zinc/33/04/56/852330456.db2.gz JSZGPWBDVKDLCC-MHTWAQMVSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000506916578 852330462 /nfs/dbraw/zinc/33/04/62/852330462.db2.gz JSZGPWBDVKDLCC-MHTWAQMVSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCCC[C@@H]1C ZINC000506916578 852330468 /nfs/dbraw/zinc/33/04/68/852330468.db2.gz JSZGPWBDVKDLCC-MHTWAQMVSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000506938048 852367826 /nfs/dbraw/zinc/36/78/26/852367826.db2.gz CGKZIBUIORZPMA-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000489633158 852498742 /nfs/dbraw/zinc/49/87/42/852498742.db2.gz JEROTQXXJAOWHI-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn(-c3ccccc3)nn2)CC1 ZINC000489633158 852498748 /nfs/dbraw/zinc/49/87/48/852498748.db2.gz JEROTQXXJAOWHI-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000506278331 852561141 /nfs/dbraw/zinc/56/11/41/852561141.db2.gz CJJVILCGHYZGMG-UHFFFAOYSA-N 2 1 377.532 3.823 20 0 GHADMP Cc1ccc(C[N@H+](CCO)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000180846680 862372033 /nfs/dbraw/zinc/37/20/33/862372033.db2.gz WBYSJSATMCKWOA-UHFFFAOYSA-N 2 1 381.564 3.520 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[NH+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000489844597 852604442 /nfs/dbraw/zinc/60/44/42/852604442.db2.gz YGUIKISJBYOGNM-MALNDZBISA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000489844597 852604445 /nfs/dbraw/zinc/60/44/45/852604445.db2.gz YGUIKISJBYOGNM-MALNDZBISA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000489844597 852604451 /nfs/dbraw/zinc/60/44/51/852604451.db2.gz YGUIKISJBYOGNM-MALNDZBISA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000489901798 852635180 /nfs/dbraw/zinc/63/51/80/852635180.db2.gz XUNVOULHCZSKEO-PMACEKPBSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000437070060 852715313 /nfs/dbraw/zinc/71/53/13/852715313.db2.gz SNECOKDDDMLKQZ-PXNSSMCTSA-N 2 1 383.502 3.761 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985512 852863528 /nfs/dbraw/zinc/86/35/28/852863528.db2.gz XDNRVMHHTFXGDN-BLMTVLTRSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985512 852863540 /nfs/dbraw/zinc/86/35/40/852863540.db2.gz XDNRVMHHTFXGDN-BLMTVLTRSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985512 852863554 /nfs/dbraw/zinc/86/35/54/852863554.db2.gz XDNRVMHHTFXGDN-BLMTVLTRSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985512 852863566 /nfs/dbraw/zinc/86/35/66/852863566.db2.gz XDNRVMHHTFXGDN-BLMTVLTRSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985512 852863574 /nfs/dbraw/zinc/86/35/74/852863574.db2.gz XDNRVMHHTFXGDN-BLMTVLTRSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985513 852863848 /nfs/dbraw/zinc/86/38/48/852863848.db2.gz XDNRVMHHTFXGDN-DAABDDCCSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985513 852863851 /nfs/dbraw/zinc/86/38/51/852863851.db2.gz XDNRVMHHTFXGDN-DAABDDCCSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167985513 852863853 /nfs/dbraw/zinc/86/38/53/852863853.db2.gz XDNRVMHHTFXGDN-DAABDDCCSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167985513 852863855 /nfs/dbraw/zinc/86/38/55/852863855.db2.gz XDNRVMHHTFXGDN-DAABDDCCSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167985513 852863857 /nfs/dbraw/zinc/86/38/57/852863857.db2.gz XDNRVMHHTFXGDN-DAABDDCCSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000518137240 852883110 /nfs/dbraw/zinc/88/31/10/852883110.db2.gz BOIZLAJWNGLALD-SFHVURJKSA-N 2 1 386.584 3.720 20 0 GHADMP CC[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)CCC(F)(F)F ZINC000427293044 852944152 /nfs/dbraw/zinc/94/41/52/852944152.db2.gz XANJONFXCNMWLT-UHFFFAOYSA-N 2 1 385.474 3.677 20 0 GHADMP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000151148409 853110690 /nfs/dbraw/zinc/11/06/90/853110690.db2.gz ZVDQKAHFGDFEFE-YYWHXJBOSA-N 2 1 380.960 3.729 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490605860 853131467 /nfs/dbraw/zinc/13/14/67/853131467.db2.gz WLMZVDDCRLSEDR-HXUWFJFHSA-N 2 1 389.547 3.848 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490605860 853131470 /nfs/dbraw/zinc/13/14/70/853131470.db2.gz WLMZVDDCRLSEDR-HXUWFJFHSA-N 2 1 389.547 3.848 20 0 GHADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490765443 853243119 /nfs/dbraw/zinc/24/31/19/853243119.db2.gz BBEZJPFKCKRGBJ-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP Cc1ccc([C@@H](OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000518362884 853249043 /nfs/dbraw/zinc/24/90/43/853249043.db2.gz UIYYSFUAJOIATN-RPBOFIJWSA-N 2 1 394.559 3.678 20 0 GHADMP CCOc1ccc(Cl)c(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000519616864 853268576 /nfs/dbraw/zinc/26/85/76/853268576.db2.gz QQPNXWROTGQBSR-UHFFFAOYSA-N 2 1 393.959 3.874 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437660617 853391045 /nfs/dbraw/zinc/39/10/45/853391045.db2.gz GQZFVTKLHQDSBS-NRFANRHFSA-N 2 1 378.605 3.595 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055856 853430233 /nfs/dbraw/zinc/43/02/33/853430233.db2.gz BEGWBRXXEJGQGI-UYAOXDASSA-N 2 1 380.960 3.668 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055856 853430239 /nfs/dbraw/zinc/43/02/39/853430239.db2.gz BEGWBRXXEJGQGI-UYAOXDASSA-N 2 1 380.960 3.668 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000517143261 853434000 /nfs/dbraw/zinc/43/40/00/853434000.db2.gz WQXOFPUMFZFUJV-IBGZPJMESA-N 2 1 394.629 3.722 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780555 853502649 /nfs/dbraw/zinc/50/26/49/853502649.db2.gz VSFZRUAFAXSMBU-BHIFYINESA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780555 853502656 /nfs/dbraw/zinc/50/26/56/853502656.db2.gz VSFZRUAFAXSMBU-BHIFYINESA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780555 853502664 /nfs/dbraw/zinc/50/26/64/853502664.db2.gz VSFZRUAFAXSMBU-BHIFYINESA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000519882327 853580178 /nfs/dbraw/zinc/58/01/78/853580178.db2.gz PXVZOMCDLXQZCS-OIBXWCBGSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000519882327 853580184 /nfs/dbraw/zinc/58/01/84/853580184.db2.gz PXVZOMCDLXQZCS-OIBXWCBGSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000519882327 853580193 /nfs/dbraw/zinc/58/01/93/853580193.db2.gz PXVZOMCDLXQZCS-OIBXWCBGSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000604785371 862480484 /nfs/dbraw/zinc/48/04/84/862480484.db2.gz HMKMCYAWCPSAFS-SLFFLAALSA-N 2 1 386.584 3.774 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000439386019 853611309 /nfs/dbraw/zinc/61/13/09/853611309.db2.gz LGDSGYOGVNCLFI-PKTZIBPZSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998534 853649447 /nfs/dbraw/zinc/64/94/47/853649447.db2.gz ICTZAUNZQPDNJA-INDWIESVSA-N 2 1 381.539 3.944 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000520067728 853804441 /nfs/dbraw/zinc/80/44/41/853804441.db2.gz DMQDIDLLGLZFGR-QFIPXVFZSA-N 2 1 388.600 3.751 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C[N@H+]1C1CC1 ZINC000441183921 853988956 /nfs/dbraw/zinc/98/89/56/853988956.db2.gz TYGZALSUMYKVHB-GHTZIAJQSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[NH+]1C1CC1 ZINC000441183921 853988963 /nfs/dbraw/zinc/98/89/63/853988963.db2.gz TYGZALSUMYKVHB-GHTZIAJQSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[NH+]1C1CC1 ZINC000441183921 853988967 /nfs/dbraw/zinc/98/89/67/853988967.db2.gz TYGZALSUMYKVHB-GHTZIAJQSA-N 2 1 398.595 3.876 20 0 GHADMP CCn1c2ccccc2c2cc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)ccc21 ZINC000441366398 854149084 /nfs/dbraw/zinc/14/90/84/854149084.db2.gz DOTCRCZOXMMCQS-UHFFFAOYSA-N 2 1 378.564 3.930 20 0 GHADMP NC(=[NH2+])N(c1ccc(F)cc1)c1nccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001167993811 854376821 /nfs/dbraw/zinc/37/68/21/854376821.db2.gz VDVDATOGUQTTQQ-UHFFFAOYSA-N 2 1 375.451 3.811 20 0 GHADMP NC(=[NH2+])N(c1ccc(F)cc1)c1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001167993811 854376826 /nfs/dbraw/zinc/37/68/26/854376826.db2.gz VDVDATOGUQTTQQ-UHFFFAOYSA-N 2 1 375.451 3.811 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000123394214 854404367 /nfs/dbraw/zinc/40/43/67/854404367.db2.gz HFMXSLJCVSMGOY-ROUUACIJSA-N 2 1 381.520 3.658 20 0 GHADMP O=C(NCC1CC1)[C@@H]1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167994006 854409450 /nfs/dbraw/zinc/40/94/50/854409450.db2.gz WDQDFIMNYIDPLF-SSWODZADSA-N 2 1 399.623 3.800 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000572480989 854517690 /nfs/dbraw/zinc/51/76/90/854517690.db2.gz JRKASORPFWLCHG-RPWUZVMVSA-N 2 1 391.559 3.780 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000589206315 854749327 /nfs/dbraw/zinc/74/93/27/854749327.db2.gz ZRKQMHPEVIGGNH-VQIMIIECSA-N 2 1 380.964 3.506 20 0 GHADMP CC[C@@H]1CCC[C@@H]1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458952459 854888878 /nfs/dbraw/zinc/88/88/78/854888878.db2.gz UUCMBPQLLSYJRA-NHCUHLMSSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000188842147 854939594 /nfs/dbraw/zinc/93/95/94/854939594.db2.gz NHTCASIZIZLQGB-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000572897299 855038017 /nfs/dbraw/zinc/03/80/17/855038017.db2.gz HQXYUEQVWDQYMD-XZOQPEGZSA-N 2 1 383.580 3.623 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000623656950 855077264 /nfs/dbraw/zinc/07/72/64/855077264.db2.gz GKJDYPNWTBFPDS-ZDUSSCGKSA-N 2 1 377.273 3.872 20 0 GHADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168392652 855077230 /nfs/dbraw/zinc/07/72/30/855077230.db2.gz RNLJTWUMQNMBDJ-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)CC1 ZINC000590155698 855301370 /nfs/dbraw/zinc/30/13/70/855301370.db2.gz XGDYSJWLAUGUHA-HXUWFJFHSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000590155698 855301377 /nfs/dbraw/zinc/30/13/77/855301377.db2.gz XGDYSJWLAUGUHA-HXUWFJFHSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000590155698 855301384 /nfs/dbraw/zinc/30/13/84/855301384.db2.gz XGDYSJWLAUGUHA-HXUWFJFHSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530890 855583850 /nfs/dbraw/zinc/58/38/50/855583850.db2.gz GZFLLGGWNIWGFS-FCHUYYIVSA-N 2 1 378.564 3.985 20 0 GHADMP CCCN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520610124 855787503 /nfs/dbraw/zinc/78/75/03/855787503.db2.gz VQOAHBWIZWRGRS-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520610124 855787512 /nfs/dbraw/zinc/78/75/12/855787512.db2.gz VQOAHBWIZWRGRS-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520610124 855787523 /nfs/dbraw/zinc/78/75/23/855787523.db2.gz VQOAHBWIZWRGRS-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c4ncccc34)CC2)CC1 ZINC000573134400 855856048 /nfs/dbraw/zinc/85/60/48/855856048.db2.gz IHFSOAWMKSJXAI-UHFFFAOYSA-N 2 1 380.536 3.678 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000765889268 855909280 /nfs/dbraw/zinc/90/92/80/855909280.db2.gz YKYIEWBJWNYVBN-OZRWQMGGSA-N 2 1 398.595 3.603 20 0 GHADMP CCC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591421493 855969328 /nfs/dbraw/zinc/96/93/28/855969328.db2.gz IGIRIFWBYXOGQB-IBGZPJMESA-N 2 1 387.568 3.544 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760828885 855989758 /nfs/dbraw/zinc/98/97/58/855989758.db2.gz ZSKVWUFHDBDMSG-WOJBJXKFSA-N 2 1 394.991 3.897 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760828885 855989764 /nfs/dbraw/zinc/98/97/64/855989764.db2.gz ZSKVWUFHDBDMSG-WOJBJXKFSA-N 2 1 394.991 3.897 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000465790179 856042787 /nfs/dbraw/zinc/04/27/87/856042787.db2.gz SLUMZOHOWSXSHE-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000030641134 856120214 /nfs/dbraw/zinc/12/02/14/856120214.db2.gz NNUACTMLJXWZFS-QGZVFWFLSA-N 2 1 385.577 3.767 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000030641134 856120217 /nfs/dbraw/zinc/12/02/17/856120217.db2.gz NNUACTMLJXWZFS-QGZVFWFLSA-N 2 1 385.577 3.767 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000030641136 856120271 /nfs/dbraw/zinc/12/02/71/856120271.db2.gz NNUACTMLJXWZFS-KRWDZBQOSA-N 2 1 385.577 3.767 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000030641136 856120274 /nfs/dbraw/zinc/12/02/74/856120274.db2.gz NNUACTMLJXWZFS-KRWDZBQOSA-N 2 1 385.577 3.767 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000905132146 856181161 /nfs/dbraw/zinc/18/11/61/856181161.db2.gz JYCCJLBBKOCRSL-VMBXEPDQSA-N 2 1 388.577 3.595 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000905132146 856181166 /nfs/dbraw/zinc/18/11/66/856181166.db2.gz JYCCJLBBKOCRSL-VMBXEPDQSA-N 2 1 388.577 3.595 20 0 GHADMP CC[C@]1(C(C)C)C[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459173924 856216464 /nfs/dbraw/zinc/21/64/64/856216464.db2.gz YAVAVEXNFXKQSC-JTHBVZDNSA-N 2 1 392.632 3.649 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N[C@H]3CCCC[C@H]3C)C2)s1 ZINC000573486863 856251565 /nfs/dbraw/zinc/25/15/65/856251565.db2.gz UNRPQDCQGDQORA-POAQFYNOSA-N 2 1 377.598 3.505 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038830413 856298490 /nfs/dbraw/zinc/29/84/90/856298490.db2.gz IKJDEJZIFBSDCR-XMMPIXPASA-N 2 1 391.559 3.811 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)CC2)cc1 ZINC000485329794 856370568 /nfs/dbraw/zinc/37/05/68/856370568.db2.gz JNVJHAGQJJRVMB-ZEQRLZLVSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)cc1 ZINC000485329794 856370584 /nfs/dbraw/zinc/37/05/84/856370584.db2.gz JNVJHAGQJJRVMB-ZEQRLZLVSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)CC2)cc1 ZINC000485329794 856370596 /nfs/dbraw/zinc/37/05/96/856370596.db2.gz JNVJHAGQJJRVMB-ZEQRLZLVSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)CC2)cc1 ZINC000485329794 856370613 /nfs/dbraw/zinc/37/06/13/856370613.db2.gz JNVJHAGQJJRVMB-ZEQRLZLVSA-N 2 1 397.607 3.582 20 0 GHADMP C[C@H]1CC([NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008841 856370664 /nfs/dbraw/zinc/37/06/64/856370664.db2.gz GBVUBSXICDGODD-ROUUACIJSA-N 2 1 386.561 3.621 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000181287282 862823278 /nfs/dbraw/zinc/82/32/78/862823278.db2.gz YWSXKXQAZLNEEW-JXFKEZNVSA-N 2 1 390.487 3.645 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000677171595 856696740 /nfs/dbraw/zinc/69/67/40/856696740.db2.gz BKEJZBVDVVXTMO-UHFFFAOYSA-N 2 1 394.563 3.633 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000465886695 856767897 /nfs/dbraw/zinc/76/78/97/856767897.db2.gz GCVFSWSSUXXQQK-FGZHOGPDSA-N 2 1 386.584 3.585 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)cc1 ZINC000624320125 856869530 /nfs/dbraw/zinc/86/95/30/856869530.db2.gz KVKBLDQKEOQKKO-WZONZLPQSA-N 2 1 379.504 3.799 20 0 GHADMP Cc1nn(C)c(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1Cl ZINC000921909373 857077318 /nfs/dbraw/zinc/07/73/18/857077318.db2.gz WXUUUYVRROSQSF-UHFFFAOYSA-N 2 1 375.948 3.772 20 0 GHADMP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001168581804 857216926 /nfs/dbraw/zinc/21/69/26/857216926.db2.gz ZMYLMOKCPOLBAQ-QKLQHJQFSA-N 2 1 377.960 3.856 20 0 GHADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001168581804 857216932 /nfs/dbraw/zinc/21/69/32/857216932.db2.gz ZMYLMOKCPOLBAQ-QKLQHJQFSA-N 2 1 377.960 3.856 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000057847203 857242979 /nfs/dbraw/zinc/24/29/79/857242979.db2.gz KOOAGPLGNSUMRQ-HNNXBMFYSA-N 2 1 381.948 3.729 20 0 GHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000281224865 862895946 /nfs/dbraw/zinc/89/59/46/862895946.db2.gz LXAGMHAFBGIGQJ-HXUWFJFHSA-N 2 1 387.499 3.928 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000675713537 857574986 /nfs/dbraw/zinc/57/49/86/857574986.db2.gz CAZWRYKAFCWDGM-TZIWHRDSSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786984 857613302 /nfs/dbraw/zinc/61/33/02/857613302.db2.gz PEGHMNNOBWSPRI-FPOVZHCZSA-N 2 1 375.520 3.830 20 0 GHADMP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000675880523 857658516 /nfs/dbraw/zinc/65/85/16/857658516.db2.gz FQDGLYUSHMXQPQ-JOCHJYFZSA-N 2 1 391.987 3.537 20 0 GHADMP COc1cc(NCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1 ZINC000181603597 862936055 /nfs/dbraw/zinc/93/60/55/862936055.db2.gz LGHHCGFUBIHZLK-INIZCTEOSA-N 2 1 380.492 3.961 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000486363594 857676546 /nfs/dbraw/zinc/67/65/46/857676546.db2.gz ZVZUSZRSUXAQQF-PXNSSMCTSA-N 2 1 384.520 3.713 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000521163396 857692736 /nfs/dbraw/zinc/69/27/36/857692736.db2.gz NLDVSDYPPRRQFY-IRXDYDNUSA-N 2 1 380.602 3.551 20 0 GHADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000521174176 857705378 /nfs/dbraw/zinc/70/53/78/857705378.db2.gz VJJXHBGPNAVVQB-QTEQDKRBSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000521174176 857705391 /nfs/dbraw/zinc/70/53/91/857705391.db2.gz VJJXHBGPNAVVQB-QTEQDKRBSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000521174176 857705402 /nfs/dbraw/zinc/70/54/02/857705402.db2.gz VJJXHBGPNAVVQB-QTEQDKRBSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574335717 857709749 /nfs/dbraw/zinc/70/97/49/857709749.db2.gz CAEBTXRHMWNDQI-DZFGPLHGSA-N 2 1 388.502 3.616 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740785 857748440 /nfs/dbraw/zinc/74/84/40/857748440.db2.gz FCEWSEYZXKDXDX-LAUBAEHRSA-N 2 1 394.519 3.563 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3C[NH+](C)C)cc2)C1 ZINC000486519448 857816181 /nfs/dbraw/zinc/81/61/81/857816181.db2.gz MZNFLHQERDXJAE-SFHVURJKSA-N 2 1 381.520 3.721 20 0 GHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cscc2Cl)cc1 ZINC000676417310 857873565 /nfs/dbraw/zinc/87/35/65/857873565.db2.gz FZJFPLIICGFBGB-UHFFFAOYSA-N 2 1 377.941 3.517 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466032468 857921552 /nfs/dbraw/zinc/92/15/52/857921552.db2.gz AOMIAUQWYRTBBV-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000466032468 857921558 /nfs/dbraw/zinc/92/15/58/857921558.db2.gz AOMIAUQWYRTBBV-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000466032468 857921563 /nfs/dbraw/zinc/92/15/63/857921563.db2.gz AOMIAUQWYRTBBV-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000669524988 858027623 /nfs/dbraw/zinc/02/76/23/858027623.db2.gz ZULMYFURKWWZPB-YYWHXJBOSA-N 2 1 395.551 3.663 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000673066800 858129837 /nfs/dbraw/zinc/12/98/37/858129837.db2.gz IMEXDXQUSHMRKW-BXXSPATCSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000673066800 858129843 /nfs/dbraw/zinc/12/98/43/858129843.db2.gz IMEXDXQUSHMRKW-BXXSPATCSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000673066800 858129846 /nfs/dbraw/zinc/12/98/46/858129846.db2.gz IMEXDXQUSHMRKW-BXXSPATCSA-N 2 1 383.580 3.668 20 0 GHADMP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C12CCC2 ZINC000181737364 862992391 /nfs/dbraw/zinc/99/23/91/862992391.db2.gz CTINMNOJBPPCIZ-MOPGFXCFSA-N 2 1 377.598 3.855 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000521614321 858174268 /nfs/dbraw/zinc/17/42/68/858174268.db2.gz IJWBSIVNOXKAGB-FPOVZHCZSA-N 2 1 392.465 3.721 20 0 GHADMP c1cn2c(n1)[C@@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCc1ccccc1-2 ZINC000665300033 858229954 /nfs/dbraw/zinc/22/99/54/858229954.db2.gz XFHCPJFGNLKOSN-DCLXLUIPSA-N 2 1 386.499 3.705 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2)[NH+](C)C ZINC000443014544 858311961 /nfs/dbraw/zinc/31/19/61/858311961.db2.gz PEAAYNLJQSGTIQ-JTSKRJEESA-N 2 1 386.609 3.999 20 0 GHADMP Clc1cccc2c1C[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001168705002 858314714 /nfs/dbraw/zinc/31/47/14/858314714.db2.gz PLDFXFZNCCDFBF-NJDAHSKKSA-N 2 1 387.999 3.736 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000574813585 858326511 /nfs/dbraw/zinc/32/65/11/858326511.db2.gz AARCKYRGSCBAPV-IBGZPJMESA-N 2 1 379.548 3.610 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065055 858333580 /nfs/dbraw/zinc/33/35/80/858333580.db2.gz ZIJYHYJQNDGDTQ-MOPGFXCFSA-N 2 1 381.520 3.653 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000466122047 858356115 /nfs/dbraw/zinc/35/61/15/858356115.db2.gz ZNWRXDAZQUGEOU-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000521958546 858485966 /nfs/dbraw/zinc/48/59/66/858485966.db2.gz MXLGKYAYKVPCLD-OALUTQOASA-N 2 1 390.572 3.649 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)CC[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000575064631 858509792 /nfs/dbraw/zinc/50/97/92/858509792.db2.gz HBMKZASRRDDRDZ-MJGOQNOKSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CC[NH+]3CCCC[C@H]3C)C2)s1 ZINC000575064631 858509797 /nfs/dbraw/zinc/50/97/97/858509797.db2.gz HBMKZASRRDDRDZ-MJGOQNOKSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CC[NH+]3CCCC[C@H]3C)C2)s1 ZINC000575064631 858509804 /nfs/dbraw/zinc/50/98/04/858509804.db2.gz HBMKZASRRDDRDZ-MJGOQNOKSA-N 2 1 377.598 3.601 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000522078150 858589040 /nfs/dbraw/zinc/58/90/40/858589040.db2.gz NNHNAFOWBBCCHD-SELNLUPBSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000522078150 858589043 /nfs/dbraw/zinc/58/90/43/858589043.db2.gz NNHNAFOWBBCCHD-SELNLUPBSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000522078150 858589050 /nfs/dbraw/zinc/58/90/50/858589050.db2.gz NNHNAFOWBBCCHD-SELNLUPBSA-N 2 1 398.595 3.543 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000474044026 858620838 /nfs/dbraw/zinc/62/08/38/858620838.db2.gz HDWFGWWKFSTCOO-XMMPIXPASA-N 2 1 393.575 3.955 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)C[C@H](C)O1 ZINC000543183006 858759389 /nfs/dbraw/zinc/75/93/89/858759389.db2.gz DBFPQVSWKGODQC-JKSBSHDWSA-N 2 1 392.971 3.918 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)C[C@H](C)O1 ZINC000543183006 858759396 /nfs/dbraw/zinc/75/93/96/858759396.db2.gz DBFPQVSWKGODQC-JKSBSHDWSA-N 2 1 392.971 3.918 20 0 GHADMP C[C@@H]1CC([NH2+][C@H]2CCc3ccccc3NC2=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019415 858777177 /nfs/dbraw/zinc/77/71/77/858777177.db2.gz IWAGNXKPYGYCSU-PNCHPQGNSA-N 2 1 377.532 3.971 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2)cc1 ZINC000183679746 858794968 /nfs/dbraw/zinc/79/49/68/858794968.db2.gz APDGNJJMIQETLC-JKSUJKDBSA-N 2 1 391.475 3.568 20 0 GHADMP CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000557003050 881358026 /nfs/dbraw/zinc/35/80/26/881358026.db2.gz AQYGWCGKWUFTBB-GOTSBHOMSA-N 2 1 385.596 3.997 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000922971127 858908430 /nfs/dbraw/zinc/90/84/30/858908430.db2.gz HMMRIBVEOFMRPK-CTVDGRRTSA-N 2 1 399.579 3.828 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000483006001 859055419 /nfs/dbraw/zinc/05/54/19/859055419.db2.gz LPOVKHVELUCJAI-JXFKEZNVSA-N 2 1 377.960 3.714 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000483006001 859055427 /nfs/dbraw/zinc/05/54/27/859055427.db2.gz LPOVKHVELUCJAI-JXFKEZNVSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673142 859115343 /nfs/dbraw/zinc/11/53/43/859115343.db2.gz KGHRGDQPOCUGKA-AUSJPIAWSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673142 859115348 /nfs/dbraw/zinc/11/53/48/859115348.db2.gz KGHRGDQPOCUGKA-AUSJPIAWSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738169 859123295 /nfs/dbraw/zinc/12/32/95/859123295.db2.gz WGXDEZLZLDBSLE-FPOVZHCZSA-N 2 1 396.583 3.753 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191473745 859164701 /nfs/dbraw/zinc/16/47/01/859164701.db2.gz BRHDRSRKNHIHNS-UHFFFAOYSA-N 2 1 382.430 3.815 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000191473745 859164706 /nfs/dbraw/zinc/16/47/06/859164706.db2.gz BRHDRSRKNHIHNS-UHFFFAOYSA-N 2 1 382.430 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@H](C)C1 ZINC000483130760 859169915 /nfs/dbraw/zinc/16/99/15/859169915.db2.gz XYJQCYLKHONFSA-HLIPFELVSA-N 2 1 387.568 3.704 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000191483164 859178493 /nfs/dbraw/zinc/17/84/93/859178493.db2.gz MMEFOYDQVUVJPZ-OAQYLSRUSA-N 2 1 382.552 3.694 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000191483164 859178498 /nfs/dbraw/zinc/17/84/98/859178498.db2.gz MMEFOYDQVUVJPZ-OAQYLSRUSA-N 2 1 382.552 3.694 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000443653134 859188128 /nfs/dbraw/zinc/18/81/28/859188128.db2.gz LWAVHJJKNZBRNX-IPMKNSEASA-N 2 1 392.613 3.503 20 0 GHADMP COC(=O)c1ccc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000597054857 859267354 /nfs/dbraw/zinc/26/73/54/859267354.db2.gz VOHJNYUSQNBJKP-LJQANCHMSA-N 2 1 386.923 3.781 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000597054857 859267360 /nfs/dbraw/zinc/26/73/60/859267360.db2.gz VOHJNYUSQNBJKP-LJQANCHMSA-N 2 1 386.923 3.781 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000597054857 859267365 /nfs/dbraw/zinc/26/73/65/859267365.db2.gz VOHJNYUSQNBJKP-LJQANCHMSA-N 2 1 386.923 3.781 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625994198 859299597 /nfs/dbraw/zinc/29/95/97/859299597.db2.gz CNFPCZGRGVRONS-BJKOFHAPSA-N 2 1 395.591 3.668 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000069017188 859300481 /nfs/dbraw/zinc/30/04/81/859300481.db2.gz UJPCJDOSFSREOV-OTWHNJEPSA-N 2 1 398.551 3.927 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000069017188 859300487 /nfs/dbraw/zinc/30/04/87/859300487.db2.gz UJPCJDOSFSREOV-OTWHNJEPSA-N 2 1 398.551 3.927 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000194851607 859321760 /nfs/dbraw/zinc/32/17/60/859321760.db2.gz ZGOBIBQZCBVDEC-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP [NH3+]CC[C@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)C1 ZINC000923487435 859359491 /nfs/dbraw/zinc/35/94/91/859359491.db2.gz DAGJIGFAJRNBPB-LBPRGKRZSA-N 2 1 388.924 3.888 20 0 GHADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)C1 ZINC000923487435 859359500 /nfs/dbraw/zinc/35/95/00/859359500.db2.gz DAGJIGFAJRNBPB-LBPRGKRZSA-N 2 1 388.924 3.888 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000466735432 859395620 /nfs/dbraw/zinc/39/56/20/859395620.db2.gz BHBKTMSTUZIGHN-UHFFFAOYSA-N 2 1 392.931 3.713 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482348 859404407 /nfs/dbraw/zinc/40/44/07/859404407.db2.gz AWFOHGYKNUEXRQ-SIKLNZKXSA-N 2 1 375.601 3.897 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558219 881424669 /nfs/dbraw/zinc/42/46/69/881424669.db2.gz CWUGDNYKMPTCHS-NRFANRHFSA-N 2 1 399.583 3.606 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558219 881424674 /nfs/dbraw/zinc/42/46/74/881424674.db2.gz CWUGDNYKMPTCHS-NRFANRHFSA-N 2 1 399.583 3.606 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558219 881424678 /nfs/dbraw/zinc/42/46/78/881424678.db2.gz CWUGDNYKMPTCHS-NRFANRHFSA-N 2 1 399.583 3.606 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000532202220 881426033 /nfs/dbraw/zinc/42/60/33/881426033.db2.gz KQLMWCQIEXEHSX-KZNAEPCWSA-N 2 1 379.976 3.787 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000532202220 881426039 /nfs/dbraw/zinc/42/60/39/881426039.db2.gz KQLMWCQIEXEHSX-KZNAEPCWSA-N 2 1 379.976 3.787 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000483684253 859536515 /nfs/dbraw/zinc/53/65/15/859536515.db2.gz NAVIZCWMJVALIX-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856560002 881440662 /nfs/dbraw/zinc/44/06/62/881440662.db2.gz FHURBLJTGOWIBN-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856560002 881440666 /nfs/dbraw/zinc/44/06/66/881440666.db2.gz FHURBLJTGOWIBN-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856560002 881440669 /nfs/dbraw/zinc/44/06/69/881440669.db2.gz FHURBLJTGOWIBN-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483766938 859607051 /nfs/dbraw/zinc/60/70/51/859607051.db2.gz UYWVCQVRQJWMAL-GHTZIAJQSA-N 2 1 384.568 3.528 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC[N@@H+]2C2CC2)cc1 ZINC000895537495 859633867 /nfs/dbraw/zinc/63/38/67/859633867.db2.gz SHKXXCXQFUITRZ-PUHATCMVSA-N 2 1 384.564 3.920 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC[N@H+]2C2CC2)cc1 ZINC000895537495 859633873 /nfs/dbraw/zinc/63/38/73/859633873.db2.gz SHKXXCXQFUITRZ-PUHATCMVSA-N 2 1 384.564 3.920 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764959941 859709723 /nfs/dbraw/zinc/70/97/23/859709723.db2.gz BEPZEKWGCVWZBF-JKSUJKDBSA-N 2 1 388.524 3.988 20 0 GHADMP CCOC(=O)c1coc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000474280577 859755666 /nfs/dbraw/zinc/75/56/66/859755666.db2.gz XGYRQYOFZWHYKM-UHFFFAOYSA-N 2 1 382.504 3.944 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCOC4CCCCCC4)CC3)C2)cc1 ZINC000512468410 859868557 /nfs/dbraw/zinc/86/85/57/859868557.db2.gz JUYMIXLWLGONKI-HSZRJFAPSA-N 2 1 385.596 3.618 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCOC4CCCCCC4)CC3)C2)cc1 ZINC000512468410 859868564 /nfs/dbraw/zinc/86/85/64/859868564.db2.gz JUYMIXLWLGONKI-HSZRJFAPSA-N 2 1 385.596 3.618 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000484225557 859895373 /nfs/dbraw/zinc/89/53/73/859895373.db2.gz YHRJWYJCCLTYAV-KORDQABASA-N 2 1 398.595 3.726 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602397882 859995080 /nfs/dbraw/zinc/99/50/80/859995080.db2.gz IVWSYLLLGYKKRH-LJQANCHMSA-N 2 1 380.964 3.508 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000727758549 860217828 /nfs/dbraw/zinc/21/78/28/860217828.db2.gz BQIQZTKIAQMAOT-UHFFFAOYSA-N 2 1 380.488 3.891 20 0 GHADMP CCCCn1c(=S)n(CN2CCC[N@H+](C(C)C)CC2)nc1[C@@H](CC)[NH+](C)C ZINC000727823191 860291643 /nfs/dbraw/zinc/29/16/43/860291643.db2.gz CPXHGLQGMLFRLX-GOSISDBHSA-N 2 1 396.649 3.600 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cscc2Br)CC1 ZINC000286518320 860389198 /nfs/dbraw/zinc/38/91/98/860389198.db2.gz NDAPBHXIEOOZLC-UHFFFAOYSA-N 2 1 395.366 3.757 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC000598639538 860467974 /nfs/dbraw/zinc/46/79/74/860467974.db2.gz TWNITSFHOKLCDC-UYAOXDASSA-N 2 1 395.547 3.611 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000509023684 860582306 /nfs/dbraw/zinc/58/23/06/860582306.db2.gz OLUSQLLZTNHNML-LJQANCHMSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000509029697 860615170 /nfs/dbraw/zinc/61/51/70/860615170.db2.gz GORUMZCRZGNBNS-LSTHTHJFSA-N 2 1 394.991 3.847 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000509029697 860615176 /nfs/dbraw/zinc/61/51/76/860615176.db2.gz GORUMZCRZGNBNS-LSTHTHJFSA-N 2 1 394.991 3.847 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000509029697 860615184 /nfs/dbraw/zinc/61/51/84/860615184.db2.gz GORUMZCRZGNBNS-LSTHTHJFSA-N 2 1 394.991 3.847 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3cc(C)ccc3C)C2)ccn1 ZINC000856592956 881566620 /nfs/dbraw/zinc/56/66/20/881566620.db2.gz LGSLMUHHPCRYHB-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3cc(C)ccc3C)C2)ccn1 ZINC000856592956 881566626 /nfs/dbraw/zinc/56/66/26/881566626.db2.gz LGSLMUHHPCRYHB-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3cc(C)ccc3C)C2)ccn1 ZINC000856592956 881566632 /nfs/dbraw/zinc/56/66/32/881566632.db2.gz LGSLMUHHPCRYHB-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(Cl)n1 ZINC000856606174 881579974 /nfs/dbraw/zinc/57/99/74/881579974.db2.gz ITSQQSFGKPCRRG-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP COC(=O)CC1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000599018910 860742348 /nfs/dbraw/zinc/74/23/48/860742348.db2.gz FOPYDFKNQLXKTQ-JREAUHRESA-N 2 1 388.552 3.507 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(Cl)n1 ZINC000856606174 881579944 /nfs/dbraw/zinc/57/99/44/881579944.db2.gz ITSQQSFGKPCRRG-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(Cl)n1 ZINC000856606174 881579952 /nfs/dbraw/zinc/57/99/52/881579952.db2.gz ITSQQSFGKPCRRG-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(Cl)n1 ZINC000856606174 881579964 /nfs/dbraw/zinc/57/99/64/881579964.db2.gz ITSQQSFGKPCRRG-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000474821559 860816421 /nfs/dbraw/zinc/81/64/21/860816421.db2.gz LTQVPOUJKMYAOY-PDXXHEQOSA-N 2 1 382.548 3.660 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000474821559 860816426 /nfs/dbraw/zinc/81/64/26/860816426.db2.gz LTQVPOUJKMYAOY-PDXXHEQOSA-N 2 1 382.548 3.660 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000557032451 881585830 /nfs/dbraw/zinc/58/58/30/881585830.db2.gz AEKARDBWHYCEEO-JTSKRJEESA-N 2 1 378.520 3.507 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)[C@@H](C)C1 ZINC000624226088 863193727 /nfs/dbraw/zinc/19/37/27/863193727.db2.gz JQDJGBJHYJGFRV-HQRMLTQVSA-N 2 1 397.966 3.784 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(-c2cnn(C)c2)c1 ZINC000282664732 863266351 /nfs/dbraw/zinc/26/63/51/863266351.db2.gz NDGXBCQNSORLTQ-UHFFFAOYSA-N 2 1 390.531 3.518 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552291 863298475 /nfs/dbraw/zinc/29/84/75/863298475.db2.gz RRNMCZPKTFWTSY-IEBWSBKVSA-N 2 1 399.510 3.856 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552291 863298484 /nfs/dbraw/zinc/29/84/84/863298484.db2.gz RRNMCZPKTFWTSY-IEBWSBKVSA-N 2 1 399.510 3.856 20 0 GHADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000183029272 863450134 /nfs/dbraw/zinc/45/01/34/863450134.db2.gz JGILSPJZCUZWQP-IBGZPJMESA-N 2 1 397.485 3.659 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000183136428 863481878 /nfs/dbraw/zinc/48/18/78/863481878.db2.gz PWCPZOQDIAIHAZ-INIZCTEOSA-N 2 1 388.471 3.518 20 0 GHADMP C[N@H+](CCC(=O)N1CCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322111 881676517 /nfs/dbraw/zinc/67/65/17/881676517.db2.gz JKMXSVGLELCLEN-UHFFFAOYSA-N 2 1 377.532 3.562 20 0 GHADMP C[N@@H+](CCC(=O)N1CCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322111 881676520 /nfs/dbraw/zinc/67/65/20/881676520.db2.gz JKMXSVGLELCLEN-UHFFFAOYSA-N 2 1 377.532 3.562 20 0 GHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1Br ZINC000444197493 863644534 /nfs/dbraw/zinc/64/45/34/863644534.db2.gz RUJMAKRAVJASKD-MRXNPFEDSA-N 2 1 394.357 3.586 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2)C1 ZINC000856721484 881686503 /nfs/dbraw/zinc/68/65/03/881686503.db2.gz LBFOTBMOZHCTQX-SFTDATJTSA-N 2 1 381.520 3.656 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C4CCCC4)C3)cc2)C1 ZINC000522986013 863861470 /nfs/dbraw/zinc/86/14/70/863861470.db2.gz ZHTBOAGUALYWRG-KNQAVFIVSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2)C1 ZINC000522986013 863861488 /nfs/dbraw/zinc/86/14/88/863861488.db2.gz ZHTBOAGUALYWRG-KNQAVFIVSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)cc2)C1 ZINC000522986013 863861506 /nfs/dbraw/zinc/86/15/06/863861506.db2.gz ZHTBOAGUALYWRG-KNQAVFIVSA-N 2 1 398.595 3.735 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554214401 863903652 /nfs/dbraw/zinc/90/36/52/863903652.db2.gz QCPFLDDDNBQBPL-XLIONFOSSA-N 2 1 377.960 3.858 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000120771552 881715747 /nfs/dbraw/zinc/71/57/47/881715747.db2.gz GITMYKLEMFUERR-KRWDZBQOSA-N 2 1 381.586 3.753 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000532298545 881712662 /nfs/dbraw/zinc/71/26/62/881712662.db2.gz ICQLWDYUQBPXMW-YOEHRIQHSA-N 2 1 377.579 3.684 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000158837052 863964208 /nfs/dbraw/zinc/96/42/08/863964208.db2.gz NSANTJNPXPLXKE-SFHVURJKSA-N 2 1 393.510 3.764 20 0 GHADMP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158852604 863970675 /nfs/dbraw/zinc/97/06/75/863970675.db2.gz DLQNMZMRPLYVHT-ROUUACIJSA-N 2 1 377.598 3.729 20 0 GHADMP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158852604 863970687 /nfs/dbraw/zinc/97/06/87/863970687.db2.gz DLQNMZMRPLYVHT-ROUUACIJSA-N 2 1 377.598 3.729 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000898518387 864076872 /nfs/dbraw/zinc/07/68/72/864076872.db2.gz HGEXEOHZWMZNIT-YHINDDMVSA-N 2 1 388.527 3.510 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(c5ccccn5)CC4)C[C@@H]3C2)cc1 ZINC000898522935 864089707 /nfs/dbraw/zinc/08/97/07/864089707.db2.gz VZXKFKZXGIXPFJ-WMTXJRDZSA-N 2 1 390.575 3.941 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000469870353 864146457 /nfs/dbraw/zinc/14/64/57/864146457.db2.gz CFCAJBWZYMYFDX-KYNGSXCRSA-N 2 1 389.341 3.502 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000475114258 864235103 /nfs/dbraw/zinc/23/51/03/864235103.db2.gz AIFOIPLGLREFBP-UHFFFAOYSA-N 2 1 378.442 3.951 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000607284227 864242156 /nfs/dbraw/zinc/24/21/56/864242156.db2.gz PGCAYEBEOFHCQC-VXKWHMMOSA-N 2 1 383.511 3.599 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941739 864323109 /nfs/dbraw/zinc/32/31/09/864323109.db2.gz KAFBGPZDYPTIAA-HNNXBMFYSA-N 2 1 396.963 3.663 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c2ccccc2)cc1 ZINC000607391074 864326736 /nfs/dbraw/zinc/32/67/36/864326736.db2.gz AUCJEDVWOBFBMH-FTBPSBKWSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000607391074 864326753 /nfs/dbraw/zinc/32/67/53/864326753.db2.gz AUCJEDVWOBFBMH-FTBPSBKWSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc2)cc1 ZINC000607391074 864326767 /nfs/dbraw/zinc/32/67/67/864326767.db2.gz AUCJEDVWOBFBMH-FTBPSBKWSA-N 2 1 396.575 3.736 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621660513 864336587 /nfs/dbraw/zinc/33/65/87/864336587.db2.gz MHCZCWDNNSHGDM-ZRCAFCQKSA-N 2 1 395.950 3.899 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621660513 864336599 /nfs/dbraw/zinc/33/65/99/864336599.db2.gz MHCZCWDNNSHGDM-ZRCAFCQKSA-N 2 1 395.950 3.899 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3nc(C)sc32)c1 ZINC000163643614 864547462 /nfs/dbraw/zinc/54/74/62/864547462.db2.gz IATGLYGAQCTBJJ-IBGZPJMESA-N 2 1 389.565 3.576 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000163949216 864580989 /nfs/dbraw/zinc/58/09/89/864580989.db2.gz PVXNSRSUOCICJA-HSZRJFAPSA-N 2 1 394.559 3.823 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000607720472 864692577 /nfs/dbraw/zinc/69/25/77/864692577.db2.gz PTYBOLFKKRPWDF-DEOSSOPVSA-N 2 1 393.575 3.925 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000607720472 864692583 /nfs/dbraw/zinc/69/25/83/864692583.db2.gz PTYBOLFKKRPWDF-DEOSSOPVSA-N 2 1 393.575 3.925 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3occc3Br)CC2)oc1C ZINC000735321334 864723156 /nfs/dbraw/zinc/72/31/56/864723156.db2.gz OJLWJOZJHPSSKG-UHFFFAOYSA-N 2 1 382.302 3.649 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(N3CCCOC3=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061157 864766027 /nfs/dbraw/zinc/76/60/27/864766027.db2.gz ZELWHNVIMHZKBF-HATOLVCRSA-N 2 1 385.552 3.735 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000475352247 864837980 /nfs/dbraw/zinc/83/79/80/864837980.db2.gz CUALYXWEBQGKLN-UHFFFAOYSA-N 2 1 375.488 3.804 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480620389 864983679 /nfs/dbraw/zinc/98/36/79/864983679.db2.gz ZMIJLXMVBWALAU-ZJSXRUAMSA-N 2 1 381.564 3.560 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(Br)o2)[C@@H](c2ccccc2)C1 ZINC000480643710 865003837 /nfs/dbraw/zinc/00/38/37/865003837.db2.gz OQCNXGZRNYBUEW-GOSISDBHSA-N 2 1 392.341 3.511 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608164751 865036520 /nfs/dbraw/zinc/03/65/20/865036520.db2.gz FMBJZQUUMGZJNR-RTWAWAEBSA-N 2 1 385.939 3.676 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608164751 865036523 /nfs/dbraw/zinc/03/65/23/865036523.db2.gz FMBJZQUUMGZJNR-RTWAWAEBSA-N 2 1 385.939 3.676 20 0 GHADMP C/C(=C\c1ccccc1)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554868778 865061980 /nfs/dbraw/zinc/06/19/80/865061980.db2.gz LWEMWDVYYDOMGV-WJIBEPFQSA-N 2 1 375.560 3.982 20 0 GHADMP C/C(=C\c1ccccc1)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554868778 865061994 /nfs/dbraw/zinc/06/19/94/865061994.db2.gz LWEMWDVYYDOMGV-WJIBEPFQSA-N 2 1 375.560 3.982 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667724144 865062178 /nfs/dbraw/zinc/06/21/78/865062178.db2.gz YVXGVHBVLVRWFC-HNAYVOBHSA-N 2 1 390.890 3.752 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000667727531 865109107 /nfs/dbraw/zinc/10/91/07/865109107.db2.gz ALFFSKKMYMQRKA-SFHVURJKSA-N 2 1 392.425 3.560 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2c(C)nc3sc(C)nn23)CC1)CC(C)C ZINC000554883514 865111470 /nfs/dbraw/zinc/11/14/70/865111470.db2.gz HFOHRVYEZZTVBX-UHFFFAOYSA-N 2 1 377.602 3.988 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C)nc3sc(C)nn23)CC1)CC(C)C ZINC000554883514 865111474 /nfs/dbraw/zinc/11/14/74/865111474.db2.gz HFOHRVYEZZTVBX-UHFFFAOYSA-N 2 1 377.602 3.988 20 0 GHADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000608248939 865152313 /nfs/dbraw/zinc/15/23/13/865152313.db2.gz NVYGBSFIJSNKBD-SIKLNZKXSA-N 2 1 399.966 3.923 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000608248939 865152317 /nfs/dbraw/zinc/15/23/17/865152317.db2.gz NVYGBSFIJSNKBD-SIKLNZKXSA-N 2 1 399.966 3.923 20 0 GHADMP Cc1nc2c(s1)[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000480783257 865264515 /nfs/dbraw/zinc/26/45/15/865264515.db2.gz ZHMZNJWGUFVRLU-FPOVZHCZSA-N 2 1 384.593 3.797 20 0 GHADMP Cc1c(O)ccc2c(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)oc12 ZINC000173975401 865292789 /nfs/dbraw/zinc/29/27/89/865292789.db2.gz PALAJNNKGLOUGV-IBGZPJMESA-N 2 1 392.499 3.761 20 0 GHADMP Cc1c(O)ccc2c(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)oc12 ZINC000173975401 865292804 /nfs/dbraw/zinc/29/28/04/865292804.db2.gz PALAJNNKGLOUGV-IBGZPJMESA-N 2 1 392.499 3.761 20 0 GHADMP Cc1c(O)ccc2c(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)oc12 ZINC000173975401 865292820 /nfs/dbraw/zinc/29/28/20/865292820.db2.gz PALAJNNKGLOUGV-IBGZPJMESA-N 2 1 392.499 3.761 20 0 GHADMP Cc1c(O)ccc2c(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)oc12 ZINC000173975401 865292836 /nfs/dbraw/zinc/29/28/36/865292836.db2.gz PALAJNNKGLOUGV-IBGZPJMESA-N 2 1 392.499 3.761 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000608428972 865327366 /nfs/dbraw/zinc/32/73/66/865327366.db2.gz GQRKYABLUBSKCJ-RTWAWAEBSA-N 2 1 397.567 3.658 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000301396237 865335789 /nfs/dbraw/zinc/33/57/89/865335789.db2.gz MPFIXSPPHOIMDG-OAHLLOKOSA-N 2 1 390.325 3.546 20 0 GHADMP CCN1CC[NH+]([C@H](C)CNc2cc(C)[nH+]c3ccc(OC(F)F)cc23)CC1 ZINC000301496934 865390302 /nfs/dbraw/zinc/39/03/02/865390302.db2.gz BNGRIYZZORBLOM-OAHLLOKOSA-N 2 1 378.467 3.583 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000172243343 865537363 /nfs/dbraw/zinc/53/73/63/865537363.db2.gz KFRCYWYIDDMVNA-DEOSSOPVSA-N 2 1 391.559 3.623 20 0 GHADMP OCC[C@H]1CCCCC[N@H+]1Cc1ccccc1C[NH+]1CCCCC[C@H]1CCO ZINC000671246092 865720187 /nfs/dbraw/zinc/72/01/87/865720187.db2.gz CWWYRXBTAURATP-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP OCC[C@H]1CCCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000671246092 865720194 /nfs/dbraw/zinc/72/01/94/865720194.db2.gz CWWYRXBTAURATP-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP OCC[C@H]1CCCCC[NH+]1Cc1ccccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000671246092 865720199 /nfs/dbraw/zinc/72/01/99/865720199.db2.gz CWWYRXBTAURATP-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP Cc1sc2nc([C@@H](C)[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nc(N)c2c1C ZINC000639705210 865749972 /nfs/dbraw/zinc/74/99/72/865749972.db2.gz UTHIRBMAIWQGPP-CQSZACIVSA-N 2 1 382.537 3.559 20 0 GHADMP Cc1sc2nc([C@@H](C)[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc(N)c2c1C ZINC000639705210 865749978 /nfs/dbraw/zinc/74/99/78/865749978.db2.gz UTHIRBMAIWQGPP-CQSZACIVSA-N 2 1 382.537 3.559 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000533986207 865884987 /nfs/dbraw/zinc/88/49/87/865884987.db2.gz NHBCYSZSOCGBCP-VAPSRWTKSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000533986207 865884998 /nfs/dbraw/zinc/88/49/98/865884998.db2.gz NHBCYSZSOCGBCP-VAPSRWTKSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000533986207 865885012 /nfs/dbraw/zinc/88/50/12/865885012.db2.gz NHBCYSZSOCGBCP-VAPSRWTKSA-N 2 1 398.595 3.728 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1OCCO ZINC000481169230 865911976 /nfs/dbraw/zinc/91/19/76/865911976.db2.gz BUSMTAXWWJABPY-DXIQSLLYSA-N 2 1 398.547 3.628 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1OCCO ZINC000481169230 865911983 /nfs/dbraw/zinc/91/19/83/865911983.db2.gz BUSMTAXWWJABPY-DXIQSLLYSA-N 2 1 398.547 3.628 20 0 GHADMP CC(=O)N1CCC([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000174927524 865957170 /nfs/dbraw/zinc/95/71/70/865957170.db2.gz DBXJBRVZFBLFLC-UHFFFAOYSA-N 2 1 379.548 3.679 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000667846803 866089844 /nfs/dbraw/zinc/08/98/44/866089844.db2.gz NQQOSKCQUNYJSZ-MDNUFGMLSA-N 2 1 392.547 3.828 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534096806 866125021 /nfs/dbraw/zinc/12/50/21/866125021.db2.gz LBJVVJFFTAFQDZ-WOJBJXKFSA-N 2 1 392.975 3.697 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534096806 866125025 /nfs/dbraw/zinc/12/50/25/866125025.db2.gz LBJVVJFFTAFQDZ-WOJBJXKFSA-N 2 1 392.975 3.697 20 0 GHADMP CC[NH+](CC)CCSCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478628844 866383088 /nfs/dbraw/zinc/38/30/88/866383088.db2.gz BLPAMCJKEJXAGA-IBGZPJMESA-N 2 1 383.646 3.565 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)CCCO2 ZINC000153459308 866490037 /nfs/dbraw/zinc/49/00/37/866490037.db2.gz YKAKLBUYHMUEIV-FDDCHVKYSA-N 2 1 396.531 3.919 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)CCCO2 ZINC000153459308 866490045 /nfs/dbraw/zinc/49/00/45/866490045.db2.gz YKAKLBUYHMUEIV-FDDCHVKYSA-N 2 1 396.531 3.919 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000153470453 866498029 /nfs/dbraw/zinc/49/80/29/866498029.db2.gz QIGGFFKMNFPQSM-GCJKJVERSA-N 2 1 396.531 3.919 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000153470453 866498037 /nfs/dbraw/zinc/49/80/37/866498037.db2.gz QIGGFFKMNFPQSM-GCJKJVERSA-N 2 1 396.531 3.919 20 0 GHADMP Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000639761094 866528442 /nfs/dbraw/zinc/52/84/42/866528442.db2.gz CZQDTDFEPUVLHU-UHFFFAOYSA-N 2 1 393.491 3.618 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122296 866785331 /nfs/dbraw/zinc/78/53/31/866785331.db2.gz NUTHVMOOUUEQQZ-WIYYLYMNSA-N 2 1 391.987 3.899 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553143620 866873516 /nfs/dbraw/zinc/87/35/16/866873516.db2.gz QCHHXGPHKKCSJP-XUZZJYLKSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553143620 866873530 /nfs/dbraw/zinc/87/35/30/866873530.db2.gz QCHHXGPHKKCSJP-XUZZJYLKSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553143620 866873546 /nfs/dbraw/zinc/87/35/46/866873546.db2.gz QCHHXGPHKKCSJP-XUZZJYLKSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000444594272 866917633 /nfs/dbraw/zinc/91/76/33/866917633.db2.gz SEWOAEAFYCBQHF-XLIONFOSSA-N 2 1 395.551 3.615 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000444594272 866917651 /nfs/dbraw/zinc/91/76/51/866917651.db2.gz SEWOAEAFYCBQHF-XLIONFOSSA-N 2 1 395.551 3.615 20 0 GHADMP Cc1cccc2[nH]c(C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)nc21 ZINC000153606517 866980294 /nfs/dbraw/zinc/98/02/94/866980294.db2.gz VNDSLMBWTKHTSX-UHFFFAOYSA-N 2 1 377.536 3.692 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000153684651 867024218 /nfs/dbraw/zinc/02/42/18/867024218.db2.gz ABTMCYLMLSXADR-URXFXBBRSA-N 3 1 392.591 3.581 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cc(Br)ccc21 ZINC000479071468 867092596 /nfs/dbraw/zinc/09/25/96/867092596.db2.gz TWJXUDKPVUSLOE-LPHOPBHVSA-N 2 1 395.385 3.998 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479071587 867094004 /nfs/dbraw/zinc/09/40/04/867094004.db2.gz SKQNBSVPMJRDNQ-VQIMIIECSA-N 2 1 399.348 3.866 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)CC[N@H+]1C ZINC000444715546 867127898 /nfs/dbraw/zinc/12/78/98/867127898.db2.gz DGGGVJRBFXJYSG-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH+]1C ZINC000444715546 867127906 /nfs/dbraw/zinc/12/79/06/867127906.db2.gz DGGGVJRBFXJYSG-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH+]1C ZINC000444715546 867127916 /nfs/dbraw/zinc/12/79/16/867127916.db2.gz DGGGVJRBFXJYSG-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000190007019 882067007 /nfs/dbraw/zinc/06/70/07/882067007.db2.gz LNUKQUBRYPIDRM-UWVAXJGDSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000190007019 882067024 /nfs/dbraw/zinc/06/70/24/882067024.db2.gz LNUKQUBRYPIDRM-UWVAXJGDSA-N 2 1 395.975 3.702 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553458788 867460268 /nfs/dbraw/zinc/46/02/68/867460268.db2.gz BYNZOCPGFBLOMV-WIOPSUGQSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553458788 867460273 /nfs/dbraw/zinc/46/02/73/867460273.db2.gz BYNZOCPGFBLOMV-WIOPSUGQSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553458788 867460278 /nfs/dbraw/zinc/46/02/78/867460278.db2.gz BYNZOCPGFBLOMV-WIOPSUGQSA-N 2 1 395.591 3.766 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000509499117 882120613 /nfs/dbraw/zinc/12/06/13/882120613.db2.gz RDJRAHVOADTHBL-CTNGQTDRSA-N 2 1 399.510 3.584 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)[C@H](C)C1 ZINC000155253516 867835285 /nfs/dbraw/zinc/83/52/85/867835285.db2.gz JAVARACBQKBBNR-APWZRJJASA-N 2 1 395.385 3.817 20 0 GHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000152709398 868061670 /nfs/dbraw/zinc/06/16/70/868061670.db2.gz VXKBBIMKZVCXSW-OALUTQOASA-N 2 1 399.539 3.531 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[NH+](C)C)cc1 ZINC000523902542 868251814 /nfs/dbraw/zinc/25/18/14/868251814.db2.gz NBHVXDAYPWAZIN-VJBMBRPKSA-N 2 1 394.563 3.732 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H]2C2CCC2)[NH+]2CCCCC2)cc1 ZINC000479668305 868296279 /nfs/dbraw/zinc/29/62/79/868296279.db2.gz TYSJTZFMIPRHIC-GOTSBHOMSA-N 2 1 399.579 3.603 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000457467628 868310059 /nfs/dbraw/zinc/31/00/59/868310059.db2.gz CAKHELVAFVZKMW-RTBURBONSA-N 2 1 392.613 3.552 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000535201583 868338062 /nfs/dbraw/zinc/33/80/62/868338062.db2.gz MBJGHGWWGZNWAT-LBPRGKRZSA-N 2 1 379.295 3.505 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000457643911 868561839 /nfs/dbraw/zinc/56/18/39/868561839.db2.gz GKQDTCOHDPHIJS-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457643911 868561846 /nfs/dbraw/zinc/56/18/46/868561846.db2.gz GKQDTCOHDPHIJS-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000457643911 868561855 /nfs/dbraw/zinc/56/18/55/868561855.db2.gz GKQDTCOHDPHIJS-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000457649407 868574506 /nfs/dbraw/zinc/57/45/06/868574506.db2.gz LNEJMPWAAVGLLE-GBXCKJPGSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000457649407 868574511 /nfs/dbraw/zinc/57/45/11/868574511.db2.gz LNEJMPWAAVGLLE-GBXCKJPGSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000457649407 868574514 /nfs/dbraw/zinc/57/45/14/868574514.db2.gz LNEJMPWAAVGLLE-GBXCKJPGSA-N 2 1 398.595 3.688 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)c2)C1 ZINC000857339265 882210148 /nfs/dbraw/zinc/21/01/48/882210148.db2.gz ODBLQQDCIBWRFV-XZOQPEGZSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)c2)C1 ZINC000857339265 882210166 /nfs/dbraw/zinc/21/01/66/882210166.db2.gz ODBLQQDCIBWRFV-XZOQPEGZSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)c2)C1 ZINC000857339265 882210183 /nfs/dbraw/zinc/21/01/83/882210183.db2.gz ODBLQQDCIBWRFV-XZOQPEGZSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccccc2CCC(F)(F)F)CC1 ZINC000535445184 868749048 /nfs/dbraw/zinc/74/90/48/868749048.db2.gz FUECXVKKPWFHIL-UHFFFAOYSA-N 2 1 392.425 3.581 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000524246468 868766886 /nfs/dbraw/zinc/76/68/86/868766886.db2.gz RRZRDRNSXSYDBB-ZRCGQRJVSA-N 2 1 383.580 3.762 20 0 GHADMP Cc1[nH+]ccn1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000457780241 868767798 /nfs/dbraw/zinc/76/77/98/868767798.db2.gz AZJFSGRZWQSLEQ-VZKPYBMVSA-N 2 1 386.927 3.575 20 0 GHADMP Cc1[nH+]ccn1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000457780241 868767803 /nfs/dbraw/zinc/76/78/03/868767803.db2.gz AZJFSGRZWQSLEQ-VZKPYBMVSA-N 2 1 386.927 3.575 20 0 GHADMP CCC(CC)[C@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000158198218 868891134 /nfs/dbraw/zinc/89/11/34/868891134.db2.gz NXDVIWCCRNCVNF-UTKZUKDTSA-N 2 1 390.572 3.568 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@H]4CCC(C)(C)c5cccc3c54)cn2)CC1 ZINC000539588140 869411944 /nfs/dbraw/zinc/41/19/44/869411944.db2.gz GJHCJMKRDKPBJP-NQIIRXRSSA-N 2 1 391.563 3.618 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000446135502 869421906 /nfs/dbraw/zinc/42/19/06/869421906.db2.gz GAJYXRINUOWZCO-IBGZPJMESA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446258120 869618638 /nfs/dbraw/zinc/61/86/38/869618638.db2.gz DJCRHGDLEJMXBH-LOODEUFTSA-N 2 1 385.552 3.532 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H](F)CC1CCCCC1 ZINC000793620070 882336386 /nfs/dbraw/zinc/33/63/86/882336386.db2.gz SKPLYOLFXVNBBL-JOCHJYFZSA-N 2 1 395.607 3.950 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895257 869982336 /nfs/dbraw/zinc/98/23/36/869982336.db2.gz ALGNKWBIIAEKBY-QFBILLFUSA-N 2 1 389.341 3.551 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900489 869989781 /nfs/dbraw/zinc/98/97/81/869989781.db2.gz VLSJMWIQDJIOSX-SJLPKXTDSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900489 869989796 /nfs/dbraw/zinc/98/97/96/869989796.db2.gz VLSJMWIQDJIOSX-SJLPKXTDSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900489 869989810 /nfs/dbraw/zinc/98/98/10/869989810.db2.gz VLSJMWIQDJIOSX-SJLPKXTDSA-N 2 1 378.442 3.807 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000525119713 870018650 /nfs/dbraw/zinc/01/86/50/870018650.db2.gz DFCYDXMJLKHTHN-HXUWFJFHSA-N 2 1 377.960 3.889 20 0 GHADMP COC(=O)CCC[NH+]1CCC(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)CC1 ZINC000462799198 870073947 /nfs/dbraw/zinc/07/39/47/870073947.db2.gz WTQJHMFIZQEHTE-GOSISDBHSA-N 2 1 388.556 3.598 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCN(c4ccccc4F)C3)sc2C1 ZINC000462911042 870367747 /nfs/dbraw/zinc/36/77/47/870367747.db2.gz MPPQBPAEUYJBMJ-INIZCTEOSA-N 2 1 388.556 3.665 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCN(c4ccccc4F)C3)sc2C1 ZINC000462911042 870367765 /nfs/dbraw/zinc/36/77/65/870367765.db2.gz MPPQBPAEUYJBMJ-INIZCTEOSA-N 2 1 388.556 3.665 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccnc(N5CCCC5)c4)[C@H]3C2)cc1 ZINC000248419826 870401365 /nfs/dbraw/zinc/40/13/65/870401365.db2.gz VSFOTZHGKRXPND-RJGXRXQPSA-N 2 1 376.548 3.682 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248460128 870436975 /nfs/dbraw/zinc/43/69/75/870436975.db2.gz WGIVVRWNPRHXOR-JTHBVZDNSA-N 2 1 380.532 3.955 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248606999 870533471 /nfs/dbraw/zinc/53/34/71/870533471.db2.gz WNDAXYXHTCWLHU-YRNRMSPPSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248606999 870533476 /nfs/dbraw/zinc/53/34/76/870533476.db2.gz WNDAXYXHTCWLHU-YRNRMSPPSA-N 2 1 375.944 3.688 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCc2ccccc2)c1 ZINC000538798110 870629134 /nfs/dbraw/zinc/62/91/34/870629134.db2.gz OAKSCAODPXXBLG-NHTMILBNSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCc2ccccc2)c1 ZINC000538798110 870629137 /nfs/dbraw/zinc/62/91/37/870629137.db2.gz OAKSCAODPXXBLG-NHTMILBNSA-N 2 1 380.532 3.949 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1)CC(C)C ZINC000540199456 870712663 /nfs/dbraw/zinc/71/26/63/870712663.db2.gz VWNIABLHRHMYCH-UHFFFAOYSA-N 2 1 380.598 3.540 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1)CC(C)C ZINC000540199456 870712674 /nfs/dbraw/zinc/71/26/74/870712674.db2.gz VWNIABLHRHMYCH-UHFFFAOYSA-N 2 1 380.598 3.540 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248997098 870717983 /nfs/dbraw/zinc/71/79/83/870717983.db2.gz GWOAQKUKXPIVCR-UYAOXDASSA-N 2 1 392.613 3.648 20 0 GHADMP CC(C)[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000446964736 870781857 /nfs/dbraw/zinc/78/18/57/870781857.db2.gz CACZUOLCMWGYCH-HXUWFJFHSA-N 2 1 385.577 3.622 20 0 GHADMP CC(C)[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000446964736 870781861 /nfs/dbraw/zinc/78/18/61/870781861.db2.gz CACZUOLCMWGYCH-HXUWFJFHSA-N 2 1 385.577 3.622 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)C[C@@H](C)O1 ZINC000540244611 870845130 /nfs/dbraw/zinc/84/51/30/870845130.db2.gz CFIFDDVHQNRRDU-DRSNIGMVSA-N 2 1 392.971 3.918 20 0 GHADMP Cc1cc(=O)oc2cc(OCC[N@H+](C)Cc3ccc(C[NH+](C)C)cc3)ccc12 ZINC001168838510 870896003 /nfs/dbraw/zinc/89/60/03/870896003.db2.gz NASVQUJKHVQFCG-UHFFFAOYSA-N 2 1 380.488 3.674 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000249955416 870930073 /nfs/dbraw/zinc/93/00/73/870930073.db2.gz VTIVITJAXVEAGJ-WMLDXEAASA-N 2 1 387.387 3.788 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000463116569 870953657 /nfs/dbraw/zinc/95/36/57/870953657.db2.gz CVVBLFCPODRZQZ-AJSBUHFISA-N 2 1 384.568 3.699 20 0 GHADMP COc1ccccc1N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000463120475 870958497 /nfs/dbraw/zinc/95/84/97/870958497.db2.gz WEZBMCSEZWRCFR-UHFFFAOYSA-N 2 1 393.575 3.961 20 0 GHADMP COc1ccc(CN2CC[C@@H]([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CC2=O)cc1 ZINC001168917306 871007631 /nfs/dbraw/zinc/00/76/31/871007631.db2.gz UKARJFYTLYCGKT-CEMLEFRQSA-N 2 1 399.579 3.701 20 0 GHADMP COc1ccc(CN2CC[C@H]([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CC2=O)cc1 ZINC001168917299 871008050 /nfs/dbraw/zinc/00/80/50/871008050.db2.gz UKARJFYTLYCGKT-BVSLBCMMSA-N 2 1 399.579 3.701 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463191671 871097149 /nfs/dbraw/zinc/09/71/49/871097149.db2.gz NCCPANDIFXHYAZ-LADGPHEKSA-N 3 1 398.639 3.579 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463191671 871097168 /nfs/dbraw/zinc/09/71/68/871097168.db2.gz NCCPANDIFXHYAZ-LADGPHEKSA-N 3 1 398.639 3.579 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000516198198 882476748 /nfs/dbraw/zinc/47/67/48/882476748.db2.gz JPIRNKCPYZUYIP-PCCBWWKXSA-N 2 1 385.577 3.547 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000516198198 882476757 /nfs/dbraw/zinc/47/67/57/882476757.db2.gz JPIRNKCPYZUYIP-PCCBWWKXSA-N 2 1 385.577 3.547 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000516198197 882476987 /nfs/dbraw/zinc/47/69/87/882476987.db2.gz JPIRNKCPYZUYIP-HBMCJLEFSA-N 2 1 385.577 3.547 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000516198197 882476995 /nfs/dbraw/zinc/47/69/95/882476995.db2.gz JPIRNKCPYZUYIP-HBMCJLEFSA-N 2 1 385.577 3.547 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000540393707 871163107 /nfs/dbraw/zinc/16/31/07/871163107.db2.gz NTQWPLIXHJWGKD-VAMGGRTRSA-N 2 1 378.944 3.911 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc3c(c1)CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169078752 871183527 /nfs/dbraw/zinc/18/35/27/871183527.db2.gz FWOXNYTUJRIPGE-WKCHPHFGSA-N 2 1 385.552 3.695 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000539063542 871209920 /nfs/dbraw/zinc/20/99/20/871209920.db2.gz KNNHULGLEDUSEI-SLFFLAALSA-N 2 1 378.944 3.830 20 0 GHADMP Cc1[nH]nc2ncc(C[NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)cc12 ZINC000525697227 871223721 /nfs/dbraw/zinc/22/37/21/871223721.db2.gz OXIGITFSABUJIW-UHFFFAOYSA-N 2 1 375.476 3.781 20 0 GHADMP COc1ccc([C@H]([NH3+])[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(OC)cc2)cc1 ZINC001169108203 871231785 /nfs/dbraw/zinc/23/17/85/871231785.db2.gz PHQANFJHBDHNFC-MLNGRUJYSA-N 2 1 395.547 3.660 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)CC1 ZINC001169261899 871324601 /nfs/dbraw/zinc/32/46/01/871324601.db2.gz QMACDIHTMIUWDN-UHFFFAOYSA-N 2 1 379.342 3.703 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000091744655 871331793 /nfs/dbraw/zinc/33/17/93/871331793.db2.gz YOMXRXVJMGJEFR-UYAOXDASSA-N 2 1 392.385 3.538 20 0 GHADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C(F)(F)F)c(F)c3)CC2)CC1 ZINC001169239258 871337879 /nfs/dbraw/zinc/33/78/79/871337879.db2.gz VGQMVDIOULNFQH-UHFFFAOYSA-N 2 1 387.465 3.883 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000447307849 871349019 /nfs/dbraw/zinc/34/90/19/871349019.db2.gz XWMIDUHQBCRZLF-FPOVZHCZSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000447307849 871349036 /nfs/dbraw/zinc/34/90/36/871349036.db2.gz XWMIDUHQBCRZLF-FPOVZHCZSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000447307849 871349055 /nfs/dbraw/zinc/34/90/55/871349055.db2.gz XWMIDUHQBCRZLF-FPOVZHCZSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000447307849 871349091 /nfs/dbraw/zinc/34/90/91/871349091.db2.gz XWMIDUHQBCRZLF-FPOVZHCZSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000447313293 871357791 /nfs/dbraw/zinc/35/77/91/871357791.db2.gz QOGVWYCEOGFPJU-VXKWHMMOSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000447313293 871357807 /nfs/dbraw/zinc/35/78/07/871357807.db2.gz QOGVWYCEOGFPJU-VXKWHMMOSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000447313293 871357823 /nfs/dbraw/zinc/35/78/23/871357823.db2.gz QOGVWYCEOGFPJU-VXKWHMMOSA-N 2 1 392.547 3.705 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000552033847 871388825 /nfs/dbraw/zinc/38/88/25/871388825.db2.gz UZUCVASHHZPBTN-UHFFFAOYSA-N 2 1 389.547 3.859 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462001148 871422280 /nfs/dbraw/zinc/42/22/80/871422280.db2.gz GSGCAIXCBBDAID-URVUXULASA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462001148 871422294 /nfs/dbraw/zinc/42/22/94/871422294.db2.gz GSGCAIXCBBDAID-URVUXULASA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462001148 871422309 /nfs/dbraw/zinc/42/23/09/871422309.db2.gz GSGCAIXCBBDAID-URVUXULASA-N 2 1 388.600 3.801 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001169371329 871435018 /nfs/dbraw/zinc/43/50/18/871435018.db2.gz LMRJAGZQKUQTEQ-WTGUMLROSA-N 2 1 394.943 3.523 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000461993814 871443036 /nfs/dbraw/zinc/44/30/36/871443036.db2.gz ILSPYXAQGWXGBC-UHFFFAOYSA-N 2 1 389.519 3.583 20 0 GHADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410001 871457498 /nfs/dbraw/zinc/45/74/98/871457498.db2.gz TZZPNJHZRJMNDE-TZRRMPRUSA-N 2 1 382.548 3.686 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(SC)ccc1C ZINC000540521825 871484524 /nfs/dbraw/zinc/48/45/24/871484524.db2.gz NJXFDLHQIZWHEU-QGZVFWFLSA-N 2 1 378.586 3.597 20 0 GHADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000539200098 871487600 /nfs/dbraw/zinc/48/76/00/871487600.db2.gz ASGXCFVPZFJMGA-YJBOKZPZSA-N 2 1 386.367 3.868 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC001169566355 871643084 /nfs/dbraw/zinc/64/30/84/871643084.db2.gz JCSAXZFMHBRQJB-UNMCSNQZSA-N 2 1 385.596 3.834 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000552063165 871964087 /nfs/dbraw/zinc/96/40/87/871964087.db2.gz QTVHUYMRWGVNJY-ZJZGAYNASA-N 2 1 398.591 3.995 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CC[C@@H]3CCCC[NH+]3C)C2)s1 ZINC000552135433 872078588 /nfs/dbraw/zinc/07/85/88/872078588.db2.gz NOLWLWTURLOBCY-MOPGFXCFSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)s1 ZINC000552135433 872078610 /nfs/dbraw/zinc/07/86/10/872078610.db2.gz NOLWLWTURLOBCY-MOPGFXCFSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)CC[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC000552135433 872078631 /nfs/dbraw/zinc/07/86/31/872078631.db2.gz NOLWLWTURLOBCY-MOPGFXCFSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)s1 ZINC000552136205 872080029 /nfs/dbraw/zinc/08/00/29/872080029.db2.gz BTFWISCFFSBZOR-RTBURBONSA-N 2 1 377.598 3.601 20 0 GHADMP C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195075554 872158118 /nfs/dbraw/zinc/15/81/18/872158118.db2.gz VHLULSWTUUVECS-LPHOPBHVSA-N 2 1 377.960 3.856 20 0 GHADMP C[C@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195075554 872158124 /nfs/dbraw/zinc/15/81/24/872158124.db2.gz VHLULSWTUUVECS-LPHOPBHVSA-N 2 1 377.960 3.856 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000667261993 872174713 /nfs/dbraw/zinc/17/47/13/872174713.db2.gz PJBGEPQGJKZDRD-JOCHJYFZSA-N 2 1 388.515 3.677 20 0 GHADMP O=C(C[N@@H+]1CC[C@@H](C2CCC2)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195146101 872199315 /nfs/dbraw/zinc/19/93/15/872199315.db2.gz BLEPSKCMWWOVIX-NQIIRXRSSA-N 2 1 389.971 3.715 20 0 GHADMP O=C(C[N@H+]1CC[C@@H](C2CCC2)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195146101 872199325 /nfs/dbraw/zinc/19/93/25/872199325.db2.gz BLEPSKCMWWOVIX-NQIIRXRSSA-N 2 1 389.971 3.715 20 0 GHADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000618985670 872214707 /nfs/dbraw/zinc/21/47/07/872214707.db2.gz MQQMGTWSFXQPAO-UYAOXDASSA-N 2 1 386.584 3.730 20 0 GHADMP COc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OCc1ccncc1 ZINC000093659943 872326360 /nfs/dbraw/zinc/32/63/60/872326360.db2.gz OWYYFUVKNQBUHB-NRFANRHFSA-N 2 1 383.536 3.975 20 0 GHADMP COc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1OCc1ccncc1 ZINC000093659943 872326366 /nfs/dbraw/zinc/32/63/66/872326366.db2.gz OWYYFUVKNQBUHB-NRFANRHFSA-N 2 1 383.536 3.975 20 0 GHADMP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1OCc1ccncc1 ZINC000093659943 872326371 /nfs/dbraw/zinc/32/63/71/872326371.db2.gz OWYYFUVKNQBUHB-NRFANRHFSA-N 2 1 383.536 3.975 20 0 GHADMP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1OCc1ccncc1 ZINC000093659943 872326380 /nfs/dbraw/zinc/32/63/80/872326380.db2.gz OWYYFUVKNQBUHB-NRFANRHFSA-N 2 1 383.536 3.975 20 0 GHADMP Cc1nn(C)c2ncc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc12 ZINC000552272834 872365539 /nfs/dbraw/zinc/36/55/39/872365539.db2.gz DCDFKECJCDHRQH-UHFFFAOYSA-N 2 1 389.547 3.765 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835788 872375138 /nfs/dbraw/zinc/37/51/38/872375138.db2.gz ZWSQLOJHSFOLCD-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835788 872375157 /nfs/dbraw/zinc/37/51/57/872375157.db2.gz ZWSQLOJHSFOLCD-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835788 872375179 /nfs/dbraw/zinc/37/51/79/872375179.db2.gz ZWSQLOJHSFOLCD-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@H](c2ccccc2)C1 ZINC000447853939 872416378 /nfs/dbraw/zinc/41/63/78/872416378.db2.gz JMPPERJHVSBVQY-QHCPKHFHSA-N 2 1 389.547 3.545 20 0 GHADMP CCCn1nc(C)c(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000093844187 872448806 /nfs/dbraw/zinc/44/88/06/872448806.db2.gz LZODUGQQBCUCDL-HDICACEKSA-N 2 1 376.589 3.621 20 0 GHADMP Cc1nn(C)c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1Br ZINC000447929001 872559137 /nfs/dbraw/zinc/55/91/37/872559137.db2.gz GORTWUCHVZFVJW-UHFFFAOYSA-N 2 1 391.357 3.767 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C4CCC4)CC3)CC2)cc1 ZINC001195946025 872788473 /nfs/dbraw/zinc/78/84/73/872788473.db2.gz FIWJQQFNDSETPX-UHFFFAOYSA-N 2 1 383.580 3.541 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000152747053 872826327 /nfs/dbraw/zinc/82/63/27/872826327.db2.gz HBADJWBVMWXRBP-GJYPPUQNSA-N 2 1 380.374 3.595 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)CC1CC1 ZINC000527198531 872844976 /nfs/dbraw/zinc/84/49/76/872844976.db2.gz MTCVBLCTOZLJSZ-SFHVURJKSA-N 2 1 392.609 3.985 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)CC1CC1 ZINC000527198531 872844993 /nfs/dbraw/zinc/84/49/93/872844993.db2.gz MTCVBLCTOZLJSZ-SFHVURJKSA-N 2 1 392.609 3.985 20 0 GHADMP Fc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000152778172 872859424 /nfs/dbraw/zinc/85/94/24/872859424.db2.gz AJQVIOTYELHDEG-OAQYLSRUSA-N 2 1 381.539 3.949 20 0 GHADMP CCN(Cc1ccccc1)C(=O)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448120801 872879522 /nfs/dbraw/zinc/87/95/22/872879522.db2.gz BEBHXZVEDRREPY-QPPBQGQZSA-N 2 1 393.575 3.878 20 0 GHADMP CC(C)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccs1 ZINC000619735262 872935092 /nfs/dbraw/zinc/93/50/92/872935092.db2.gz VNDOAYSUCIKEQZ-UHFFFAOYSA-N 2 1 385.577 3.871 20 0 GHADMP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccs1 ZINC000619735262 872935102 /nfs/dbraw/zinc/93/51/02/872935102.db2.gz VNDOAYSUCIKEQZ-UHFFFAOYSA-N 2 1 385.577 3.871 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000478415476 872968798 /nfs/dbraw/zinc/96/87/98/872968798.db2.gz MUZWADPPADWZOP-OALUTQOASA-N 2 1 392.975 3.506 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000478415476 872968806 /nfs/dbraw/zinc/96/88/06/872968806.db2.gz MUZWADPPADWZOP-OALUTQOASA-N 2 1 392.975 3.506 20 0 GHADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191984171 882693122 /nfs/dbraw/zinc/69/31/22/882693122.db2.gz VTLWTLLHMJJVQN-BGYRXZFFSA-N 2 1 382.552 3.502 20 0 GHADMP Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)nc1 ZINC000858012746 882719955 /nfs/dbraw/zinc/71/99/55/882719955.db2.gz LHFYYYRPWDIUPS-QFIPXVFZSA-N 2 1 394.563 3.574 20 0 GHADMP Cc1cccc(NCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[nH+]1 ZINC000541433274 873568929 /nfs/dbraw/zinc/56/89/29/873568929.db2.gz FBZIXKNVGJHCIS-UHFFFAOYSA-N 2 1 388.515 3.864 20 0 GHADMP Cc1cccc(NCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[nH+]1 ZINC000541433274 873568940 /nfs/dbraw/zinc/56/89/40/873568940.db2.gz FBZIXKNVGJHCIS-UHFFFAOYSA-N 2 1 388.515 3.864 20 0 GHADMP Cc1c[nH+]cn1CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000527793041 873611509 /nfs/dbraw/zinc/61/15/09/873611509.db2.gz YRXSJYNFOLYKMI-UHFFFAOYSA-N 2 1 388.515 3.771 20 0 GHADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000448768000 873909958 /nfs/dbraw/zinc/90/99/58/873909958.db2.gz PFSVVCHAXLHMOL-PGRDOPGGSA-N 2 1 389.503 3.565 20 0 GHADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000448768000 873909965 /nfs/dbraw/zinc/90/99/65/873909965.db2.gz PFSVVCHAXLHMOL-PGRDOPGGSA-N 2 1 389.503 3.565 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C(=O)N1CCCC1 ZINC000528015959 873914124 /nfs/dbraw/zinc/91/41/24/873914124.db2.gz MFASWMYCJHFJOY-VSKRKVRLSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603573 873967086 /nfs/dbraw/zinc/96/70/86/873967086.db2.gz QRMLODSBBYHHEQ-NNMXDRDESA-N 2 1 388.596 3.966 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000769513506 874122180 /nfs/dbraw/zinc/12/21/80/874122180.db2.gz AXDWVJAXOVPMQN-SFHVURJKSA-N 2 1 393.963 3.598 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000769513506 874122186 /nfs/dbraw/zinc/12/21/86/874122186.db2.gz AXDWVJAXOVPMQN-SFHVURJKSA-N 2 1 393.963 3.598 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000448977083 874279558 /nfs/dbraw/zinc/27/95/58/874279558.db2.gz QLQHEMQPGIPFSO-UHFFFAOYSA-N 2 1 392.758 3.745 20 0 GHADMP Cc1c[nH+]cn1CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000528284044 874305274 /nfs/dbraw/zinc/30/52/74/874305274.db2.gz PFWMIAVMKOJQDE-UHFFFAOYSA-N 2 1 395.334 3.623 20 0 GHADMP Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000464691778 874324649 /nfs/dbraw/zinc/32/46/49/874324649.db2.gz PVYFUHZNISYPSB-UHFFFAOYSA-N 2 1 392.609 3.747 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769945398 874358597 /nfs/dbraw/zinc/35/85/97/874358597.db2.gz HSQDHXJOPBHTKR-UHFFFAOYSA-N 2 1 378.561 3.941 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449044167 874409645 /nfs/dbraw/zinc/40/96/45/874409645.db2.gz BWTVRIRNJDONTO-UTKZUKDTSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449044167 874409653 /nfs/dbraw/zinc/40/96/53/874409653.db2.gz BWTVRIRNJDONTO-UTKZUKDTSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000449044167 874409657 /nfs/dbraw/zinc/40/96/57/874409657.db2.gz BWTVRIRNJDONTO-UTKZUKDTSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000449044167 874409665 /nfs/dbraw/zinc/40/96/65/874409665.db2.gz BWTVRIRNJDONTO-UTKZUKDTSA-N 2 1 389.971 3.625 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1NC(C)=O ZINC000449057510 874433295 /nfs/dbraw/zinc/43/32/95/874433295.db2.gz CPMWEZYDFVWRAT-SFHVURJKSA-N 2 1 395.547 3.839 20 0 GHADMP C[C@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000449081013 874462563 /nfs/dbraw/zinc/46/25/63/874462563.db2.gz BAIWZHUUTVEQOF-GOSISDBHSA-N 2 1 391.515 3.541 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000541915581 874518419 /nfs/dbraw/zinc/51/84/19/874518419.db2.gz RMWMPXIQFXMXNR-DENIHFKCSA-N 2 1 395.503 3.587 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000541915718 874518446 /nfs/dbraw/zinc/51/84/46/874518446.db2.gz XMAAOTPDCBCQRD-PWHSHALESA-N 2 1 382.548 3.934 20 0 GHADMP COc1cc2ccccc2cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000449236310 874603281 /nfs/dbraw/zinc/60/32/81/874603281.db2.gz XPWCXUSHADRSFR-QHCPKHFHSA-N 2 1 376.500 3.705 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000464870246 874647929 /nfs/dbraw/zinc/64/79/29/874647929.db2.gz DZPHCAKZPVWPDU-IYBDPMFKSA-N 2 1 394.581 3.554 20 0 GHADMP C[N@@H+](CCC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC001198917475 874705319 /nfs/dbraw/zinc/70/53/19/874705319.db2.gz BFRHZSIPVHRTBC-HNNXBMFYSA-N 2 1 377.520 3.779 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449324165 874707659 /nfs/dbraw/zinc/70/76/59/874707659.db2.gz CXPOLQAHHUEYLJ-GOSISDBHSA-N 2 1 388.577 3.777 20 0 GHADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3F)s2)CCN1C1CC[NH+](C)CC1 ZINC000449325436 874707697 /nfs/dbraw/zinc/70/76/97/874707697.db2.gz MPDROZCHRQDLJV-INIZCTEOSA-N 2 1 388.556 3.550 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3F)s2)CCN1C1CC[NH+](C)CC1 ZINC000449325436 874707704 /nfs/dbraw/zinc/70/77/04/874707704.db2.gz MPDROZCHRQDLJV-INIZCTEOSA-N 2 1 388.556 3.550 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccnc(OC(F)F)c2)CC1 ZINC000449313103 874719899 /nfs/dbraw/zinc/71/98/99/874719899.db2.gz UPGOWDRAFBGQAA-MRXNPFEDSA-N 2 1 375.463 3.868 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000528697199 874908686 /nfs/dbraw/zinc/90/86/86/874908686.db2.gz KZPSZCLCZLSSAC-YTFSRNRJSA-N 2 1 385.596 3.725 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000528697199 874908701 /nfs/dbraw/zinc/90/87/01/874908701.db2.gz KZPSZCLCZLSSAC-YTFSRNRJSA-N 2 1 385.596 3.725 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000528697199 874908717 /nfs/dbraw/zinc/90/87/17/874908717.db2.gz KZPSZCLCZLSSAC-YTFSRNRJSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494879 874928361 /nfs/dbraw/zinc/92/83/61/874928361.db2.gz HFVJFYFLEFDVQP-FQEVSTJZSA-N 2 1 383.536 3.507 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494879 874928364 /nfs/dbraw/zinc/92/83/64/874928364.db2.gz HFVJFYFLEFDVQP-FQEVSTJZSA-N 2 1 383.536 3.507 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494879 874928367 /nfs/dbraw/zinc/92/83/67/874928367.db2.gz HFVJFYFLEFDVQP-FQEVSTJZSA-N 2 1 383.536 3.507 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494879 874928371 /nfs/dbraw/zinc/92/83/71/874928371.db2.gz HFVJFYFLEFDVQP-FQEVSTJZSA-N 2 1 383.536 3.507 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000542092051 874932203 /nfs/dbraw/zinc/93/22/03/874932203.db2.gz AAHWICNRGXKVIW-FQEVSTJZSA-N 2 1 385.596 3.794 20 0 GHADMP CCC[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494299 874950311 /nfs/dbraw/zinc/95/03/11/874950311.db2.gz GPPSVSCBEDZSBR-VWNXMTODSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494299 874950318 /nfs/dbraw/zinc/95/03/18/874950318.db2.gz GPPSVSCBEDZSBR-VWNXMTODSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494299 874950325 /nfs/dbraw/zinc/95/03/25/874950325.db2.gz GPPSVSCBEDZSBR-VWNXMTODSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@@H](C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494299 874950328 /nfs/dbraw/zinc/95/03/28/874950328.db2.gz GPPSVSCBEDZSBR-VWNXMTODSA-N 2 1 385.596 3.837 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cc4ccccc4s3)C2)CC1 ZINC000449502564 874966069 /nfs/dbraw/zinc/96/60/69/874966069.db2.gz OTIBLNLURILSRE-IBGZPJMESA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc4ccccc4s3)C2)CC1 ZINC000449502564 874966076 /nfs/dbraw/zinc/96/60/76/874966076.db2.gz OTIBLNLURILSRE-IBGZPJMESA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000449502564 874966083 /nfs/dbraw/zinc/96/60/83/874966083.db2.gz OTIBLNLURILSRE-IBGZPJMESA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000449502564 874966090 /nfs/dbraw/zinc/96/60/90/874966090.db2.gz OTIBLNLURILSRE-IBGZPJMESA-N 2 1 385.577 3.668 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@H]3/C=C\c3cccs3)cn2)CC1 ZINC000542177787 875123479 /nfs/dbraw/zinc/12/34/79/875123479.db2.gz XUHGOSLFSBWYGB-GWQNQTGSSA-N 2 1 397.592 3.748 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@H]3/C=C\c3cccs3)cn2)CC1 ZINC000542177787 875123484 /nfs/dbraw/zinc/12/34/84/875123484.db2.gz XUHGOSLFSBWYGB-GWQNQTGSSA-N 2 1 397.592 3.748 20 0 GHADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000449657574 875193811 /nfs/dbraw/zinc/19/38/11/875193811.db2.gz PSUSJQVJSZCQMC-BHDDXSALSA-N 2 1 382.552 3.634 20 0 GHADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)CC1 ZINC000542384430 875482213 /nfs/dbraw/zinc/48/22/13/875482213.db2.gz QDJNYFBNLNQNSS-SFTDATJTSA-N 2 1 398.595 3.684 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CCc1ccccc1)CC2 ZINC001201596352 875748874 /nfs/dbraw/zinc/74/88/74/875748874.db2.gz FJDAQQACFJKCDA-HXUWFJFHSA-N 2 1 385.577 3.689 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCc1ccccc1)CC2 ZINC001201596352 875748880 /nfs/dbraw/zinc/74/88/80/875748880.db2.gz FJDAQQACFJKCDA-HXUWFJFHSA-N 2 1 385.577 3.689 20 0 GHADMP C[C@@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1)C[NH+](C)C ZINC000491590810 875847669 /nfs/dbraw/zinc/84/76/69/875847669.db2.gz DYSJGPUBPAPFKT-HNNXBMFYSA-N 2 1 392.341 3.710 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCCC(F)(F)F)CC2 ZINC001202394048 876196291 /nfs/dbraw/zinc/19/62/91/876196291.db2.gz FIAVBYJKDLXGLO-HNNXBMFYSA-N 2 1 391.503 3.789 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCCC(F)(F)F)CC2 ZINC001202396081 876198166 /nfs/dbraw/zinc/19/81/66/876198166.db2.gz TUVJUSWERCQDBL-SFHVURJKSA-N 2 1 385.474 3.727 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000151974042 876347868 /nfs/dbraw/zinc/34/78/68/876347868.db2.gz WEWXUVRSQXNYJY-UHFFFAOYSA-N 2 1 375.557 3.873 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000858347626 883039483 /nfs/dbraw/zinc/03/94/83/883039483.db2.gz DRCQIHUZIJTZTI-VQTJNVASSA-N 2 1 377.573 3.771 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000192920096 883046537 /nfs/dbraw/zinc/04/65/37/883046537.db2.gz UGMVXGLGHSEYSG-SFHVURJKSA-N 2 1 376.447 3.908 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000173785128 876636485 /nfs/dbraw/zinc/63/64/85/876636485.db2.gz PKUZPNRQXXYOFQ-OAQYLSRUSA-N 2 1 393.575 3.946 20 0 GHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192935345 883051916 /nfs/dbraw/zinc/05/19/16/883051916.db2.gz MYEXFAARJHPJSY-UYAOXDASSA-N 2 1 381.520 3.524 20 0 GHADMP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237708 876919113 /nfs/dbraw/zinc/91/91/13/876919113.db2.gz QKUQWFPQLTYKDA-KRWDZBQOSA-N 2 1 393.959 3.552 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1C ZINC000450824945 876939670 /nfs/dbraw/zinc/93/96/70/876939670.db2.gz FVWRWEWJGNRDPC-ALOPSCKCSA-N 2 1 385.581 3.941 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1C ZINC000450824945 876939682 /nfs/dbraw/zinc/93/96/82/876939682.db2.gz FVWRWEWJGNRDPC-ALOPSCKCSA-N 2 1 385.581 3.941 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836326 876953658 /nfs/dbraw/zinc/95/36/58/876953658.db2.gz MZGCZHJNIQQLSR-MSYCTHLASA-N 2 1 392.547 3.777 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836326 876953669 /nfs/dbraw/zinc/95/36/69/876953669.db2.gz MZGCZHJNIQQLSR-MSYCTHLASA-N 2 1 392.547 3.777 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816500 876971993 /nfs/dbraw/zinc/97/19/93/876971993.db2.gz KPZJNNOYVXCHJW-QZTJIDSGSA-N 2 1 398.576 3.841 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816500 876972003 /nfs/dbraw/zinc/97/20/03/876972003.db2.gz KPZJNNOYVXCHJW-QZTJIDSGSA-N 2 1 398.576 3.841 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC1 ZINC000850576868 877047238 /nfs/dbraw/zinc/04/72/38/877047238.db2.gz QHGHSPFODGGBCH-XMSQKQJNSA-N 2 1 384.568 3.739 20 0 GHADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000850584661 877057817 /nfs/dbraw/zinc/05/78/17/877057817.db2.gz SZQFHGYPYIIXMR-BMQTXXJKSA-N 2 1 390.449 3.923 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000551029736 883096752 /nfs/dbraw/zinc/09/67/52/883096752.db2.gz QKQGJXWTFJTHTR-IZIIKQMZSA-N 2 1 379.548 3.947 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000551029736 883096764 /nfs/dbraw/zinc/09/67/64/883096764.db2.gz QKQGJXWTFJTHTR-IZIIKQMZSA-N 2 1 379.548 3.947 20 0 GHADMP FC1(F)CCCC[C@@H]1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450982536 877188334 /nfs/dbraw/zinc/18/83/34/877188334.db2.gz LVEBUEMFJKLQEC-RTWAWAEBSA-N 2 1 377.523 3.704 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H](N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000134916833 883105622 /nfs/dbraw/zinc/10/56/22/883105622.db2.gz ZIWLUIJHNOWWHQ-YHYVQYDKSA-N 2 1 385.527 3.578 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)s1 ZINC000517103330 877210115 /nfs/dbraw/zinc/21/01/15/877210115.db2.gz YNFMDGOTIFPMIL-BDTNDASRSA-N 2 1 399.604 3.855 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)s1 ZINC000517103330 877210127 /nfs/dbraw/zinc/21/01/27/877210127.db2.gz YNFMDGOTIFPMIL-BDTNDASRSA-N 2 1 399.604 3.855 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000477268029 877340032 /nfs/dbraw/zinc/34/00/32/877340032.db2.gz VLMSXFQBVZRYPC-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP Clc1ccc(Br)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243632 877355368 /nfs/dbraw/zinc/35/53/68/877355368.db2.gz WUAZHSVOOPYKTK-MRXNPFEDSA-N 2 1 387.749 3.693 20 0 GHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1Cl ZINC000551535363 877397367 /nfs/dbraw/zinc/39/73/67/877397367.db2.gz WNWAYQRUOKKEEN-MRXNPFEDSA-N 2 1 395.975 3.721 20 0 GHADMP C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000477353836 877476537 /nfs/dbraw/zinc/47/65/37/877476537.db2.gz NGSRNRPHKLCPSY-NJYVYQBISA-N 2 1 383.580 3.762 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](CC(C)C)[C@H](C)c2ccccc2Cl)CC1 ZINC000551721116 877710726 /nfs/dbraw/zinc/71/07/26/877710726.db2.gz MWUFPKNMDVBVAD-QGZVFWFLSA-N 2 1 379.976 3.960 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(C)C)[C@H](C)c2ccccc2Cl)CC1 ZINC000551721116 877710743 /nfs/dbraw/zinc/71/07/43/877710743.db2.gz MWUFPKNMDVBVAD-QGZVFWFLSA-N 2 1 379.976 3.960 20 0 GHADMP C[C@@H]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175758934 877891394 /nfs/dbraw/zinc/89/13/94/877891394.db2.gz UIGZDWBWFGUMQR-LJQANCHMSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000851746951 877894760 /nfs/dbraw/zinc/89/47/60/877894760.db2.gz CVXOUBIJZOLBEX-UHFFFAOYSA-N 2 1 386.927 3.518 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000851746951 877894774 /nfs/dbraw/zinc/89/47/74/877894774.db2.gz CVXOUBIJZOLBEX-UHFFFAOYSA-N 2 1 386.927 3.518 20 0 GHADMP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000615620824 877929876 /nfs/dbraw/zinc/92/98/76/877929876.db2.gz UQGHYOWRLKDQEG-HXUWFJFHSA-N 2 1 394.991 3.705 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000615620824 877929883 /nfs/dbraw/zinc/92/98/83/877929883.db2.gz UQGHYOWRLKDQEG-HXUWFJFHSA-N 2 1 394.991 3.705 20 0 GHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C1CC[NH+](C)CC1 ZINC000285438919 912292040 /nfs/dbraw/zinc/29/20/40/912292040.db2.gz LELAIHJWEIXMPF-LLVKDONJSA-N 2 1 377.838 3.760 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000245475748 877956123 /nfs/dbraw/zinc/95/61/23/877956123.db2.gz SEVXVKOFGGDFHR-DLBZAZTESA-N 2 1 379.976 3.753 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCCC1 ZINC000615654912 877982618 /nfs/dbraw/zinc/98/26/18/877982618.db2.gz RUPXIEIIHWFFTD-OAQYLSRUSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000176013356 878037462 /nfs/dbraw/zinc/03/74/62/878037462.db2.gz NOHIHAATNWWXGN-HXUWFJFHSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCc3ccc(Cl)nc32)[C@H](c2ccccc2)C1 ZINC000788517696 878123065 /nfs/dbraw/zinc/12/30/65/878123065.db2.gz CMPLURRIWHABPV-PMACEKPBSA-N 2 1 384.955 3.691 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000245612408 878202296 /nfs/dbraw/zinc/20/22/96/878202296.db2.gz BZEHIXAWUKCRNC-XZOQPEGZSA-N 2 1 392.547 3.527 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245630591 878247730 /nfs/dbraw/zinc/24/77/30/878247730.db2.gz HTRUJHFRBRRSMA-GOTSBHOMSA-N 2 1 394.563 3.725 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000537766116 878263783 /nfs/dbraw/zinc/26/37/83/878263783.db2.gz AMECZZIMPZJXSU-WRWLIDTKSA-N 2 1 391.506 3.703 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000616082556 878487171 /nfs/dbraw/zinc/48/71/71/878487171.db2.gz AXNYUZGWQGHRIQ-NHCUHLMSSA-N 2 1 394.648 3.898 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753451 878579054 /nfs/dbraw/zinc/57/90/54/878579054.db2.gz BHCAWGNKZROXBA-CTNGQTDRSA-N 2 1 398.595 3.716 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000530847569 878606059 /nfs/dbraw/zinc/60/60/59/878606059.db2.gz OGKQMQGDAORMMN-FQEVSTJZSA-N 2 1 377.960 3.856 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177601996 878773803 /nfs/dbraw/zinc/77/38/03/878773803.db2.gz JJKKSYLUNVSUAN-PKOBYXMFSA-N 2 1 375.582 3.656 20 0 GHADMP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245964778 878807962 /nfs/dbraw/zinc/80/79/62/878807962.db2.gz DLQNMZMRPLYVHT-ZWKOTPCHSA-N 2 1 377.598 3.729 20 0 GHADMP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000245964778 878807973 /nfs/dbraw/zinc/80/79/73/878807973.db2.gz DLQNMZMRPLYVHT-ZWKOTPCHSA-N 2 1 377.598 3.729 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000177677975 878810840 /nfs/dbraw/zinc/81/08/40/878810840.db2.gz DPWMUYOEBVWSEP-OAQYLSRUSA-N 2 1 383.580 3.730 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538098450 878836416 /nfs/dbraw/zinc/83/64/16/878836416.db2.gz FKNLCNKJVUPOGQ-YJBOKZPZSA-N 2 1 384.351 3.622 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000177853885 878888889 /nfs/dbraw/zinc/88/88/89/878888889.db2.gz FXYDQIGTICMNOK-IBGZPJMESA-N 2 1 390.616 3.547 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000178210551 879043633 /nfs/dbraw/zinc/04/36/33/879043633.db2.gz RZOISUJIEUCUPZ-UYAOXDASSA-N 2 1 385.552 3.673 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000178210551 879043648 /nfs/dbraw/zinc/04/36/48/879043648.db2.gz RZOISUJIEUCUPZ-UYAOXDASSA-N 2 1 385.552 3.673 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC001183283014 912426992 /nfs/dbraw/zinc/42/69/92/912426992.db2.gz YUIPQMMGMGASFB-SNMKPRNZSA-N 2 1 399.579 3.790 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1F ZINC000178738991 879203181 /nfs/dbraw/zinc/20/31/81/879203181.db2.gz TWCBRTTZOHXCRX-CQSZACIVSA-N 2 1 386.353 3.512 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000531143640 879229619 /nfs/dbraw/zinc/22/96/19/879229619.db2.gz FXJSJIWJUWUTGW-OCCSQVGLSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000531143640 879229634 /nfs/dbraw/zinc/22/96/34/879229634.db2.gz FXJSJIWJUWUTGW-OCCSQVGLSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)cc2Br)CC[NH+]1C ZINC000531143640 879229650 /nfs/dbraw/zinc/22/96/50/879229650.db2.gz FXJSJIWJUWUTGW-OCCSQVGLSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)cc2Br)CC[NH+]1C ZINC000531143640 879229657 /nfs/dbraw/zinc/22/96/57/879229657.db2.gz FXJSJIWJUWUTGW-OCCSQVGLSA-N 2 1 375.738 3.896 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc2cccnc12 ZINC000564377448 879270850 /nfs/dbraw/zinc/27/08/50/879270850.db2.gz KSSJDWVVFPPLJS-WOJBJXKFSA-N 2 1 397.563 3.633 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)CC2 ZINC000246313900 879375755 /nfs/dbraw/zinc/37/57/55/879375755.db2.gz NSTGIIAQWIUANB-NRSPTQNISA-N 2 1 386.584 3.773 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC1=CC[NH+](C)CC1)C1CCCCC1 ZINC000538387017 879396807 /nfs/dbraw/zinc/39/68/07/879396807.db2.gz KTEQXXBTJUTCOC-UHFFFAOYSA-N 2 1 384.568 3.512 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NCC1=CC[N@H+](C)CC1)C1CCCCC1 ZINC000538387017 879396822 /nfs/dbraw/zinc/39/68/22/879396822.db2.gz KTEQXXBTJUTCOC-UHFFFAOYSA-N 2 1 384.568 3.512 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NCC1=CC[N@@H+](C)CC1)C1CCCCC1 ZINC000538387017 879396837 /nfs/dbraw/zinc/39/68/37/879396837.db2.gz KTEQXXBTJUTCOC-UHFFFAOYSA-N 2 1 384.568 3.512 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCC34CCCCC4)CC2)CC1 ZINC000617108003 879447836 /nfs/dbraw/zinc/44/78/36/879447836.db2.gz IANOGZZCJHPZNX-NRFANRHFSA-N 2 1 375.601 3.802 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)cc2)C1 ZINC000649345846 879484250 /nfs/dbraw/zinc/48/42/50/879484250.db2.gz PLANYBVNSKVVKJ-QRWLVFNGSA-N 2 1 387.911 3.699 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)N2CCOCC2)o1 ZINC000246385639 879494117 /nfs/dbraw/zinc/49/41/17/879494117.db2.gz AGSLWAGHDQUISP-COPCDDAFSA-N 2 1 389.584 3.594 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000246447496 879571624 /nfs/dbraw/zinc/57/16/24/879571624.db2.gz IJBRYBDXQKADOF-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000246447496 879571638 /nfs/dbraw/zinc/57/16/38/879571638.db2.gz IJBRYBDXQKADOF-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000246447496 879571647 /nfs/dbraw/zinc/57/16/47/879571647.db2.gz IJBRYBDXQKADOF-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(-c2noc(-c3ccc4c(c3)[C@H](C[NH3+])CCC4)n2)cn1 ZINC000854139862 879576151 /nfs/dbraw/zinc/57/61/51/879576151.db2.gz OXWMZKPBYNEIHZ-KRWDZBQOSA-N 2 1 386.459 3.671 20 0 GHADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000854223474 879641651 /nfs/dbraw/zinc/64/16/51/879641651.db2.gz GATDHLDVNOKWPL-VSDWSMLSSA-N 2 1 393.531 3.618 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000246547904 879669241 /nfs/dbraw/zinc/66/92/41/879669241.db2.gz YNSYEBQLGGHILF-JQVVWYNYSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000246547904 879669248 /nfs/dbraw/zinc/66/92/48/879669248.db2.gz YNSYEBQLGGHILF-JQVVWYNYSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000246547904 879669252 /nfs/dbraw/zinc/66/92/52/879669252.db2.gz YNSYEBQLGGHILF-JQVVWYNYSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000246547916 879669386 /nfs/dbraw/zinc/66/93/86/879669386.db2.gz YNSYEBQLGGHILF-KNKQGSTJSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000246547916 879669389 /nfs/dbraw/zinc/66/93/89/879669389.db2.gz YNSYEBQLGGHILF-KNKQGSTJSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000246547916 879669396 /nfs/dbraw/zinc/66/93/96/879669396.db2.gz YNSYEBQLGGHILF-KNKQGSTJSA-N 2 1 386.584 3.685 20 0 GHADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@H]1c1cccc3ccccc31)C[NH+]1CCC2CC1 ZINC000790373221 879676847 /nfs/dbraw/zinc/67/68/47/879676847.db2.gz VUJQGKAKRWHDCG-UPVQGACJSA-N 2 1 391.515 3.851 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000246799724 879806882 /nfs/dbraw/zinc/80/68/82/879806882.db2.gz AXUUNRLZJSVTAV-HSALFYBXSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246806095 879808584 /nfs/dbraw/zinc/80/85/84/879808584.db2.gz AIYQEJKWBMICIM-YKTARERQSA-N 2 1 380.374 3.594 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000531427572 879816213 /nfs/dbraw/zinc/81/62/13/879816213.db2.gz KTWNQCBCUSADNR-NFBKMPQASA-N 2 1 391.559 3.951 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000531427572 879816229 /nfs/dbraw/zinc/81/62/29/879816229.db2.gz KTWNQCBCUSADNR-NFBKMPQASA-N 2 1 391.559 3.951 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000531427572 879816242 /nfs/dbraw/zinc/81/62/42/879816242.db2.gz KTWNQCBCUSADNR-NFBKMPQASA-N 2 1 391.559 3.951 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000531427572 879816253 /nfs/dbraw/zinc/81/62/53/879816253.db2.gz KTWNQCBCUSADNR-NFBKMPQASA-N 2 1 391.559 3.951 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000246897801 879842981 /nfs/dbraw/zinc/84/29/81/879842981.db2.gz FRGKQOXPFXRQJD-RTBURBONSA-N 2 1 390.535 3.888 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246962083 879864390 /nfs/dbraw/zinc/86/43/90/879864390.db2.gz IPQRGRFKZHPODQ-RTBURBONSA-N 2 1 393.597 3.532 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000461464920 879882254 /nfs/dbraw/zinc/88/22/54/879882254.db2.gz DAGYTQQLCBXPCX-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000461464920 879882277 /nfs/dbraw/zinc/88/22/77/879882277.db2.gz DAGYTQQLCBXPCX-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000461464920 879882299 /nfs/dbraw/zinc/88/22/99/879882299.db2.gz DAGYTQQLCBXPCX-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP C(CC[NH+]1CCC[C@@H]1C1CCOCC1)CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000538627559 879895554 /nfs/dbraw/zinc/89/55/54/879895554.db2.gz JMIJDZDFKJXIKT-ZRZAMGCNSA-N 2 1 378.601 3.939 20 0 GHADMP C(CC[NH+]1CCC[C@H]1C1CCOCC1)CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538627559 879895576 /nfs/dbraw/zinc/89/55/76/879895576.db2.gz JMIJDZDFKJXIKT-ZRZAMGCNSA-N 2 1 378.601 3.939 20 0 GHADMP C(CC[NH+]1CCC[C@H]1C1CCOCC1)CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538627559 879895598 /nfs/dbraw/zinc/89/55/98/879895598.db2.gz JMIJDZDFKJXIKT-ZRZAMGCNSA-N 2 1 378.601 3.939 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(-n2ccnc2)cc1 ZINC000247222631 879946309 /nfs/dbraw/zinc/94/63/09/879946309.db2.gz XVDAXPOAVJSSIF-WOJBJXKFSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(-n2ccnc2)cc1 ZINC000247222631 879946313 /nfs/dbraw/zinc/94/63/13/879946313.db2.gz XVDAXPOAVJSSIF-WOJBJXKFSA-N 2 1 390.531 3.944 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000247299110 879964180 /nfs/dbraw/zinc/96/41/80/879964180.db2.gz GVXUTIXEMGUTEX-SJBKTWHCSA-N 2 1 397.588 3.912 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000247299110 879964190 /nfs/dbraw/zinc/96/41/90/879964190.db2.gz GVXUTIXEMGUTEX-SJBKTWHCSA-N 2 1 397.588 3.912 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000531497078 879971556 /nfs/dbraw/zinc/97/15/56/879971556.db2.gz NXLGIOHIQFZYLC-QGZVFWFLSA-N 2 1 395.551 3.948 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000531498755 879975910 /nfs/dbraw/zinc/97/59/10/879975910.db2.gz BQIUAKLEIDIKCS-QGZVFWFLSA-N 2 1 383.540 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000531498755 879975920 /nfs/dbraw/zinc/97/59/20/879975920.db2.gz BQIUAKLEIDIKCS-QGZVFWFLSA-N 2 1 383.540 3.758 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000531683030 880313424 /nfs/dbraw/zinc/31/34/24/880313424.db2.gz QBTTTYVPQQUNAV-RUZDIDTESA-N 2 1 393.575 4.000 20 0 GHADMP Cc1cccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000184750802 880373035 /nfs/dbraw/zinc/37/30/35/880373035.db2.gz UFXZGYUEKVZYCK-OALUTQOASA-N 2 1 379.548 3.988 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(I)c1 ZINC000453077756 880430742 /nfs/dbraw/zinc/43/07/42/880430742.db2.gz KBDZDIYGIMYWBZ-NEPJUHHUSA-N 2 1 388.268 3.565 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000453080815 880436736 /nfs/dbraw/zinc/43/67/36/880436736.db2.gz KKJHQCUUKXSNLI-FUHIMQAGSA-N 2 1 390.959 3.642 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000453080815 880436744 /nfs/dbraw/zinc/43/67/44/880436744.db2.gz KKJHQCUUKXSNLI-FUHIMQAGSA-N 2 1 390.959 3.642 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC000453113106 880483654 /nfs/dbraw/zinc/48/36/54/880483654.db2.gz QPYCDKDNGJCCRY-GEIYVISESA-N 2 1 378.516 3.784 20 0 GHADMP OCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000453147924 880513795 /nfs/dbraw/zinc/51/37/95/880513795.db2.gz ZIAPFQKEHVAGRS-SMIHKQSGSA-N 2 1 380.532 3.591 20 0 GHADMP OCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000453147923 880513888 /nfs/dbraw/zinc/51/38/88/880513888.db2.gz ZIAPFQKEHVAGRS-RBZQAINGSA-N 2 1 380.532 3.591 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000855472057 880537391 /nfs/dbraw/zinc/53/73/91/880537391.db2.gz WCUJVETYESDFLL-UHFFFAOYSA-N 2 1 383.521 3.814 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000855472057 880537402 /nfs/dbraw/zinc/53/74/02/880537402.db2.gz WCUJVETYESDFLL-UHFFFAOYSA-N 2 1 383.521 3.814 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1)N1CCCC1 ZINC000453207695 880619655 /nfs/dbraw/zinc/61/96/55/880619655.db2.gz GPYWKVJMVJPCDV-HUUMMWPTSA-N 2 1 395.591 3.810 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](n2ccnc2)C1 ZINC000643278670 912600853 /nfs/dbraw/zinc/60/08/53/912600853.db2.gz HGFHOHSGHAKFJU-YADHBBJMSA-N 2 1 395.551 3.532 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)o1 ZINC000531945743 880763793 /nfs/dbraw/zinc/76/37/93/880763793.db2.gz RKCWXHKCAWKPMP-OIBXWCBGSA-N 2 1 397.563 3.604 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)o1 ZINC000531945743 880763801 /nfs/dbraw/zinc/76/38/01/880763801.db2.gz RKCWXHKCAWKPMP-OIBXWCBGSA-N 2 1 397.563 3.604 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000531948440 880806814 /nfs/dbraw/zinc/80/68/14/880806814.db2.gz GVEWQZZNQFFBHD-FYYLOGMGSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000531948440 880806829 /nfs/dbraw/zinc/80/68/29/880806829.db2.gz GVEWQZZNQFFBHD-FYYLOGMGSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000453387752 880841934 /nfs/dbraw/zinc/84/19/34/880841934.db2.gz WDELCRQKDPJGJN-OOWPADAASA-N 2 1 396.579 3.880 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000453387752 880841947 /nfs/dbraw/zinc/84/19/47/880841947.db2.gz WDELCRQKDPJGJN-OOWPADAASA-N 2 1 396.579 3.880 20 0 GHADMP COc1c(Br)cccc1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000187262861 881126756 /nfs/dbraw/zinc/12/67/56/881126756.db2.gz PPEVVFZODYNSFB-UHFFFAOYSA-N 2 1 390.325 3.920 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1C)CC2 ZINC000499103713 881129165 /nfs/dbraw/zinc/12/91/65/881129165.db2.gz VTOQBXVISGYPKL-HSZRJFAPSA-N 2 1 377.488 3.856 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1C)CC2 ZINC000499103713 881129170 /nfs/dbraw/zinc/12/91/70/881129170.db2.gz VTOQBXVISGYPKL-HSZRJFAPSA-N 2 1 377.488 3.856 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2(N4CCOCC4)CCCCC2)C3)cc1 ZINC000499139303 881240879 /nfs/dbraw/zinc/24/08/79/881240879.db2.gz NSAJGUTWBVPZQD-BKFWDETESA-N 2 1 397.607 3.807 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000429533466 881273634 /nfs/dbraw/zinc/27/36/34/881273634.db2.gz WTAGOTFAMUVDIE-DENIHFKCSA-N 2 1 385.577 3.760 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000195139426 883192786 /nfs/dbraw/zinc/19/27/86/883192786.db2.gz NTGJTXIGXHWDPC-IRLDBZIGSA-N 3 1 381.564 3.800 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000195139426 883192794 /nfs/dbraw/zinc/19/27/94/883192794.db2.gz NTGJTXIGXHWDPC-IRLDBZIGSA-N 2 1 381.564 3.800 20 0 GHADMP COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000123201402 883200932 /nfs/dbraw/zinc/20/09/32/883200932.db2.gz UHKMHQAGALRPGU-SFHVURJKSA-N 2 1 377.573 3.549 20 0 GHADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000537694408 883206513 /nfs/dbraw/zinc/20/65/13/883206513.db2.gz KHVAZAMNIZPHRJ-SFHLNBCPSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000537694408 883206531 /nfs/dbraw/zinc/20/65/31/883206531.db2.gz KHVAZAMNIZPHRJ-SFHLNBCPSA-N 2 1 376.541 3.558 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000551087058 883265845 /nfs/dbraw/zinc/26/58/45/883265845.db2.gz LQTPOVOOINOQRL-MSOLQXFVSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000551087058 883265863 /nfs/dbraw/zinc/26/58/63/883265863.db2.gz LQTPOVOOINOQRL-MSOLQXFVSA-N 2 1 379.426 3.904 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)c1 ZINC000551270613 883582056 /nfs/dbraw/zinc/58/20/56/883582056.db2.gz FWQLOHJRLREQJO-QHCPKHFHSA-N 2 1 384.520 3.516 20 0 GHADMP O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000186467076 883647562 /nfs/dbraw/zinc/64/75/62/883647562.db2.gz ISKDYJQMVVYWAP-DLBZAZTESA-N 2 1 395.469 3.526 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215030 883669005 /nfs/dbraw/zinc/66/90/05/883669005.db2.gz UQRQXAZEVWEIJL-OAHLLOKOSA-N 2 1 389.927 3.869 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215030 883669010 /nfs/dbraw/zinc/66/90/10/883669010.db2.gz UQRQXAZEVWEIJL-OAHLLOKOSA-N 2 1 389.927 3.869 20 0 GHADMP CCN1C[C@H](C)[NH+](CC[Si](C)(C)CC[N@H+]2C[C@H](C)N(CC)C[C@H]2C)C[C@H]1C ZINC000859221659 883674161 /nfs/dbraw/zinc/67/41/61/883674161.db2.gz WPIZIKMXJCPUEY-ZDNVTZCJSA-N 2 1 396.740 3.524 20 0 GHADMP CCN1C[C@H](C)[N@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)N(CC)C[C@H]2C)C[C@H]1C ZINC000859221659 883674163 /nfs/dbraw/zinc/67/41/63/883674163.db2.gz WPIZIKMXJCPUEY-ZDNVTZCJSA-N 2 1 396.740 3.524 20 0 GHADMP CCN1C[C@H](C)[N@@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)N(CC)C[C@H]2C)C[C@H]1C ZINC000859221659 883674170 /nfs/dbraw/zinc/67/41/70/883674170.db2.gz WPIZIKMXJCPUEY-ZDNVTZCJSA-N 2 1 396.740 3.524 20 0 GHADMP CC[C@@H](C)N1CC[NH+](CC[Si](C)(C)CCN2CC[NH+]([C@H](C)CC)CC2)CC1 ZINC000859325968 883745817 /nfs/dbraw/zinc/74/58/17/883745817.db2.gz AGCCWHWQJSNVQH-FGZHOGPDSA-N 2 1 396.740 3.527 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](c3cccs3)C3CC3)CC2)cc1 ZINC000542509251 883890452 /nfs/dbraw/zinc/89/04/52/883890452.db2.gz RXZBHYTXIRFCTO-HSZRJFAPSA-N 2 1 397.588 3.832 20 0 GHADMP CN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006840 /nfs/dbraw/zinc/00/68/40/884006840.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 2 1 393.575 3.568 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006856 /nfs/dbraw/zinc/00/68/56/884006856.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006894 /nfs/dbraw/zinc/00/68/94/884006894.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 3 1 393.575 3.568 20 0 GHADMP C[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006909 /nfs/dbraw/zinc/00/69/09/884006909.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 3 1 393.575 3.568 20 0 GHADMP C[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006920 /nfs/dbraw/zinc/00/69/20/884006920.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 3 1 393.575 3.568 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[N@@H+](C)C1CC1 ZINC000105106547 884218862 /nfs/dbraw/zinc/21/88/62/884218862.db2.gz XUGKRJYNGHJEFX-GOSISDBHSA-N 2 1 394.563 3.697 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000487540898 884275555 /nfs/dbraw/zinc/27/55/55/884275555.db2.gz PGGOQDSZKDPPDW-SIKLNZKXSA-N 2 1 386.584 3.585 20 0 GHADMP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000263182403 884362886 /nfs/dbraw/zinc/36/28/86/884362886.db2.gz VPDMBOKGHFMONE-FYVGXUMQSA-N 2 1 377.532 3.577 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000495054150 884456216 /nfs/dbraw/zinc/45/62/16/884456216.db2.gz RLXLRENJCHSMGT-AYBZRNKSSA-N 2 1 397.485 3.735 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000495054150 884456223 /nfs/dbraw/zinc/45/62/23/884456223.db2.gz RLXLRENJCHSMGT-AYBZRNKSSA-N 2 1 397.485 3.735 20 0 GHADMP c1cc(-c2n[nH]cc2CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000428547134 884527931 /nfs/dbraw/zinc/52/79/31/884527931.db2.gz MVXGSPCGFXJXAI-HXUWFJFHSA-N 2 1 382.533 3.519 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001168181106 884621702 /nfs/dbraw/zinc/62/17/02/884621702.db2.gz XQOXVIWKKGEKHY-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001168181106 884621709 /nfs/dbraw/zinc/62/17/09/884621709.db2.gz XQOXVIWKKGEKHY-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001168181106 884621713 /nfs/dbraw/zinc/62/17/13/884621713.db2.gz XQOXVIWKKGEKHY-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000495163420 884700981 /nfs/dbraw/zinc/70/09/81/884700981.db2.gz BCKXSKCIOCSYDD-FVJLSDCUSA-N 2 1 397.966 3.784 20 0 GHADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1(C)C ZINC000262811351 884812557 /nfs/dbraw/zinc/81/25/57/884812557.db2.gz VFUBNUQZKUMPGJ-XMSQKQJNSA-N 2 1 384.524 3.526 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3C[NH+](C)C)cc2)C1 ZINC000498582399 884928420 /nfs/dbraw/zinc/92/84/20/884928420.db2.gz FMKVWTRZWYQMTL-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000106106380 884958524 /nfs/dbraw/zinc/95/85/24/884958524.db2.gz HBIVWKOAMQLJIT-OAQYLSRUSA-N 2 1 383.536 3.570 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000106388617 885051058 /nfs/dbraw/zinc/05/10/58/885051058.db2.gz GUCFJUKDLXWBLU-RPBOFIJWSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000106388617 885051075 /nfs/dbraw/zinc/05/10/75/885051075.db2.gz GUCFJUKDLXWBLU-RPBOFIJWSA-N 2 1 396.575 3.878 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC000498707648 885389536 /nfs/dbraw/zinc/38/95/36/885389536.db2.gz VHRCESAUPVBUGD-IZBOUPIGSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000498707648 885389555 /nfs/dbraw/zinc/38/95/55/885389555.db2.gz VHRCESAUPVBUGD-IZBOUPIGSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000498707648 885389574 /nfs/dbraw/zinc/38/95/74/885389574.db2.gz VHRCESAUPVBUGD-IZBOUPIGSA-N 2 1 398.595 3.554 20 0 GHADMP COCCC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655767543 885457037 /nfs/dbraw/zinc/45/70/37/885457037.db2.gz VOQDBSYZYAGNQL-RXVVDRJESA-N 2 1 380.960 3.693 20 0 GHADMP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000495368925 885541179 /nfs/dbraw/zinc/54/11/79/885541179.db2.gz MAPRPPCXQWBRTD-QKNQBKEWSA-N 2 1 395.547 3.913 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303618068 885649676 /nfs/dbraw/zinc/64/96/76/885649676.db2.gz WMNZTWQMHOUBEY-OFVILXPXSA-N 2 1 395.591 3.978 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303618071 885649706 /nfs/dbraw/zinc/64/97/06/885649706.db2.gz WMNZTWQMHOUBEY-SQJMNOBHSA-N 2 1 395.591 3.978 20 0 GHADMP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1Cl ZINC000655751806 885706542 /nfs/dbraw/zinc/70/65/42/885706542.db2.gz GAHSLPWHXRGPNI-WMZOPIPTSA-N 2 1 398.378 3.805 20 0 GHADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434257 885760285 /nfs/dbraw/zinc/76/02/85/885760285.db2.gz REPCATNYKHTWEN-SJBKTWHCSA-N 2 1 379.548 3.928 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(Br)c1 ZINC000655771874 885845029 /nfs/dbraw/zinc/84/50/29/885845029.db2.gz PQTXZIUCKAQYCH-XJKSGUPXSA-N 2 1 385.321 3.882 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC001184044433 912982921 /nfs/dbraw/zinc/98/29/21/912982921.db2.gz AAPLAMLGZGQBIZ-DNVCBOLYSA-N 2 1 381.358 3.786 20 0 GHADMP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852032 885938384 /nfs/dbraw/zinc/93/83/84/885938384.db2.gz SLNODNWINUAQIJ-VXKWHMMOSA-N 2 1 388.596 3.994 20 0 GHADMP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852032 885938393 /nfs/dbraw/zinc/93/83/93/885938393.db2.gz SLNODNWINUAQIJ-VXKWHMMOSA-N 2 1 388.596 3.994 20 0 GHADMP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852033 885938741 /nfs/dbraw/zinc/93/87/41/885938741.db2.gz SLNODNWINUAQIJ-YADHBBJMSA-N 2 1 388.596 3.994 20 0 GHADMP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852033 885938756 /nfs/dbraw/zinc/93/87/56/885938756.db2.gz SLNODNWINUAQIJ-YADHBBJMSA-N 2 1 388.596 3.994 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC3(CCCC3)CC2)CC1 ZINC001170549778 886274854 /nfs/dbraw/zinc/27/48/54/886274854.db2.gz MPGDZNLWBISSGM-UHFFFAOYSA-N 2 1 383.580 3.686 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867508 886385089 /nfs/dbraw/zinc/38/50/89/886385089.db2.gz FELWXBNINRNOPY-SVFBPWRDSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867508 886385112 /nfs/dbraw/zinc/38/51/12/886385112.db2.gz FELWXBNINRNOPY-SVFBPWRDSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000119135348 886486047 /nfs/dbraw/zinc/48/60/47/886486047.db2.gz DBWZCHDSTIZLKI-LJQANCHMSA-N 2 1 392.632 3.935 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000429551827 886732673 /nfs/dbraw/zinc/73/26/73/886732673.db2.gz GKRRIFXOXGSBID-JOCHJYFZSA-N 2 1 379.548 3.698 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762737749 886774178 /nfs/dbraw/zinc/77/41/78/886774178.db2.gz KMFSFKLXAABXRT-DYESRHJHSA-N 2 1 395.950 3.854 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036526 886835656 /nfs/dbraw/zinc/83/56/56/886835656.db2.gz CQGCDFHZBIENHM-KRWDZBQOSA-N 2 1 383.323 3.698 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000237515772 886959845 /nfs/dbraw/zinc/95/98/45/886959845.db2.gz AYJCTLBBLHRBKK-BWKNWUBXSA-N 2 1 377.576 3.804 20 0 GHADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001184264522 913107251 /nfs/dbraw/zinc/10/72/51/913107251.db2.gz DTSPFAFIKAZBDM-XPWALMASSA-N 2 1 378.516 3.864 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCN(C)c2cc[nH+]cc2)cc1 ZINC000543714285 887208807 /nfs/dbraw/zinc/20/88/07/887208807.db2.gz NFGUGTQDSRZRHU-IBGZPJMESA-N 2 1 380.536 3.599 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1)CC1CC1 ZINC000536584138 887298564 /nfs/dbraw/zinc/29/85/64/887298564.db2.gz LHCSASCCPHMXCB-NRFANRHFSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1)CC1CC1 ZINC000536584138 887298579 /nfs/dbraw/zinc/29/85/79/887298579.db2.gz LHCSASCCPHMXCB-NRFANRHFSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1)CC1CC1 ZINC000536584138 887298597 /nfs/dbraw/zinc/29/85/97/887298597.db2.gz LHCSASCCPHMXCB-NRFANRHFSA-N 2 1 390.616 3.547 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000809594895 887603437 /nfs/dbraw/zinc/60/34/37/887603437.db2.gz CJSKZHCKOZDBGI-FPOVZHCZSA-N 2 1 384.593 3.691 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000809594895 887603443 /nfs/dbraw/zinc/60/34/43/887603443.db2.gz CJSKZHCKOZDBGI-FPOVZHCZSA-N 2 1 384.593 3.691 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629573 887628166 /nfs/dbraw/zinc/62/81/66/887628166.db2.gz VENNJZYAMVSMJU-FUHWJXTLSA-N 2 1 387.549 3.579 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ncc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629353 887630143 /nfs/dbraw/zinc/63/01/43/887630143.db2.gz NFQAHCDQGGAPTJ-SJLPKXTDSA-N 2 1 387.549 3.579 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000809738884 887775103 /nfs/dbraw/zinc/77/51/03/887775103.db2.gz NUFQJNXAWJMHLO-HXUWFJFHSA-N 2 1 375.557 3.827 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810279515 888377428 /nfs/dbraw/zinc/37/74/28/888377428.db2.gz YXOLGNJQLKDPTK-NRFANRHFSA-N 2 1 393.572 3.695 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738194 888616131 /nfs/dbraw/zinc/61/61/31/888616131.db2.gz PSUVPQONBHQOAP-OAHLLOKOSA-N 2 1 383.458 3.840 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237123395 888687087 /nfs/dbraw/zinc/68/70/87/888687087.db2.gz BNXFODGMAKJNRN-XLIONFOSSA-N 2 1 397.485 3.594 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866306731 888822662 /nfs/dbraw/zinc/82/26/62/888822662.db2.gz LYEPJYADHYCTFW-RRQGHBQHSA-N 2 1 377.916 3.900 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000123347657 888827471 /nfs/dbraw/zinc/82/74/71/888827471.db2.gz AWQHVDNFSPBGFA-PGRDOPGGSA-N 2 1 395.551 3.902 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868184288 889340869 /nfs/dbraw/zinc/34/08/69/889340869.db2.gz LYBFHKIFUNVOKZ-IDZYALCFSA-N 2 1 378.520 3.533 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000868186700 889342487 /nfs/dbraw/zinc/34/24/87/889342487.db2.gz PPJLTBACBOLEPU-RYGJVYDSSA-N 2 1 384.549 3.596 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccnc(Cl)c2Cl)c2cccs2)CC1 ZINC000811471914 889657407 /nfs/dbraw/zinc/65/74/07/889657407.db2.gz NBFNWNYSKAEKCD-AWEZNQCLSA-N 2 1 385.364 3.528 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000105476169 889957792 /nfs/dbraw/zinc/95/77/92/889957792.db2.gz KRNAZNYBEHKFKW-UHFFFAOYSA-N 2 1 385.527 3.522 20 0 GHADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000533242238 890057416 /nfs/dbraw/zinc/05/74/16/890057416.db2.gz GGBDTOAYUZERMV-UHFFFAOYSA-N 2 1 377.838 3.571 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)NCCCC[N@@H+](C)C3CC3)c2)CC1 ZINC000455063818 890229144 /nfs/dbraw/zinc/22/91/44/890229144.db2.gz SYVJNWVRYKSXPG-UHFFFAOYSA-N 2 1 386.584 3.957 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000126688376 890649814 /nfs/dbraw/zinc/64/98/14/890649814.db2.gz LLJARYPYVOSEPZ-QFIPXVFZSA-N 2 1 397.563 3.692 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000126786255 890712777 /nfs/dbraw/zinc/71/27/77/890712777.db2.gz WUBBWBRHCBWCLU-UZLBHIALSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)c2cccs2)CC1 ZINC000533581833 890894838 /nfs/dbraw/zinc/89/48/38/890894838.db2.gz HGILRNVKEQMCAR-QZTJIDSGSA-N 2 1 377.504 3.592 20 0 GHADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1c[nH+]c2cccc(Br)n21 ZINC001170686470 890965216 /nfs/dbraw/zinc/96/52/16/890965216.db2.gz SISUJJVCTKTFPY-LBPRGKRZSA-N 2 1 382.265 3.969 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1c(F)cccc1Cl ZINC000812835383 891021905 /nfs/dbraw/zinc/02/19/05/891021905.db2.gz RGDOGXRBSHXVRW-FQEVSTJZSA-N 2 1 376.903 3.809 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ncco2)c1C ZINC000455490387 891044498 /nfs/dbraw/zinc/04/44/98/891044498.db2.gz NLFVKAMSEZXEQV-GOSISDBHSA-N 2 1 399.539 3.530 20 0 GHADMP Brc1cccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]2CCOC2)c1 ZINC000872019869 891118081 /nfs/dbraw/zinc/11/80/81/891118081.db2.gz ATMCQANLJDKVFH-GMBSWORKSA-N 2 1 379.342 3.601 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)cc1 ZINC000247116817 891370881 /nfs/dbraw/zinc/37/08/81/891370881.db2.gz MBNHIJCOVBIDJW-XMSQKQJNSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000247116817 891370897 /nfs/dbraw/zinc/37/08/97/891370897.db2.gz MBNHIJCOVBIDJW-XMSQKQJNSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000247116817 891370910 /nfs/dbraw/zinc/37/09/10/891370910.db2.gz MBNHIJCOVBIDJW-XMSQKQJNSA-N 2 1 385.552 3.643 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000247477297 891378851 /nfs/dbraw/zinc/37/88/51/891378851.db2.gz TYRGIBUAMXINCF-VQIMIIECSA-N 2 1 392.613 3.693 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000128273494 891557503 /nfs/dbraw/zinc/55/75/03/891557503.db2.gz QJXHJFIMWLKHMV-LJQANCHMSA-N 2 1 384.593 3.805 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCSCCOc2cccc(Br)c2)CC[N@H+]1C ZINC000162155116 892076555 /nfs/dbraw/zinc/07/65/55/892076555.db2.gz QXHSEAVUDQRRQQ-GOEBONIOSA-N 2 1 387.387 3.633 20 0 GHADMP CCO[C@H]1C[C@]([NH3+])(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1(C)C ZINC000261774941 892107922 /nfs/dbraw/zinc/10/79/22/892107922.db2.gz NIUJGABNYITLEF-AVRDEDQJSA-N 2 1 384.524 3.712 20 0 GHADMP c1cc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC001170717960 892151714 /nfs/dbraw/zinc/15/17/14/892151714.db2.gz GHRXHUMMGFYLDK-AFARHQOCSA-N 2 1 397.611 3.823 20 0 GHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)ccn2)c1C ZINC000261947788 892174399 /nfs/dbraw/zinc/17/43/99/892174399.db2.gz NUPUBFPGKVLOBS-HBMCJLEFSA-N 2 1 381.520 3.737 20 0 GHADMP CCN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262168618 892235954 /nfs/dbraw/zinc/23/59/54/892235954.db2.gz ANPWHJBQKABZSO-DUBFSDMOSA-N 2 1 383.580 3.824 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262204676 892252729 /nfs/dbraw/zinc/25/27/29/892252729.db2.gz DJUNNTAJHNXHHY-WUYXUBFHSA-N 2 1 383.580 3.688 20 0 GHADMP c1nc(-c2ccccc2)nn1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814226063 892417765 /nfs/dbraw/zinc/41/77/65/892417765.db2.gz ZWNKJOLZKIWDSD-UHFFFAOYSA-N 2 1 387.531 3.891 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@@H]21 ZINC001137088436 892539443 /nfs/dbraw/zinc/53/94/43/892539443.db2.gz WXMKTXZQODNWQM-NHCICSSKSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@@H]21 ZINC001137088436 892539449 /nfs/dbraw/zinc/53/94/49/892539449.db2.gz WXMKTXZQODNWQM-NHCICSSKSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4nccnc4c3)C[C@@H]21 ZINC001137088436 892539463 /nfs/dbraw/zinc/53/94/63/892539463.db2.gz WXMKTXZQODNWQM-NHCICSSKSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nccnc4c3)C[C@@H]21 ZINC001137088436 892539474 /nfs/dbraw/zinc/53/94/74/892539474.db2.gz WXMKTXZQODNWQM-NHCICSSKSA-N 2 1 387.531 3.757 20 0 GHADMP C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000128923514 892692843 /nfs/dbraw/zinc/69/28/43/892692843.db2.gz BACLTQDAYUUIGO-BVVFMGSASA-N 2 1 383.580 3.593 20 0 GHADMP C[C@@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000128923514 892692853 /nfs/dbraw/zinc/69/28/53/892692853.db2.gz BACLTQDAYUUIGO-BVVFMGSASA-N 2 1 383.580 3.593 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718562 892848393 /nfs/dbraw/zinc/84/83/93/892848393.db2.gz NYUJGAVUUIWLGS-PGRDOPGGSA-N 2 1 377.532 3.579 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508721475 892966447 /nfs/dbraw/zinc/96/64/47/892966447.db2.gz UZMBBUCFELNATR-ICSRJNTNSA-N 2 1 398.547 3.755 20 0 GHADMP COC(=O)c1cccc(Br)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000814634433 892988289 /nfs/dbraw/zinc/98/82/89/892988289.db2.gz DPXTUUIXGHJHQA-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP COC(=O)c1cccc(Br)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000814634433 892988296 /nfs/dbraw/zinc/98/82/96/892988296.db2.gz DPXTUUIXGHJHQA-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn2cc[nH+]c12 ZINC000562914647 893143850 /nfs/dbraw/zinc/14/38/50/893143850.db2.gz NBPULOFFXAHXEC-IEBWSBKVSA-N 2 1 377.492 3.817 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn2cc[nH+]c12 ZINC000562914647 893143856 /nfs/dbraw/zinc/14/38/56/893143856.db2.gz NBPULOFFXAHXEC-IEBWSBKVSA-N 2 1 377.492 3.817 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563086537 893354990 /nfs/dbraw/zinc/35/49/90/893354990.db2.gz MUNDQIKDEMKTPU-XISNMSEYSA-N 2 1 393.934 3.509 20 0 GHADMP CCO[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@]12CCCO2 ZINC000876866588 893366763 /nfs/dbraw/zinc/36/67/63/893366763.db2.gz ISGATQVMXOSPMC-YTFSRNRJSA-N 2 1 387.568 3.603 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877033857 893449036 /nfs/dbraw/zinc/44/90/36/893449036.db2.gz PRCOHPPGMKPQBI-VEXUSMLFSA-N 2 1 396.531 3.695 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877033857 893449044 /nfs/dbraw/zinc/44/90/44/893449044.db2.gz PRCOHPPGMKPQBI-VEXUSMLFSA-N 2 1 396.531 3.695 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000459395576 893452993 /nfs/dbraw/zinc/45/29/93/893452993.db2.gz BGZSMLXRSXQBAS-JTHBVZDNSA-N 2 1 393.575 3.566 20 0 GHADMP C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000536650503 893453832 /nfs/dbraw/zinc/45/38/32/893453832.db2.gz VOZOBNGVBYLPHR-FQEVSTJZSA-N 2 1 381.564 3.600 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877041742 893454170 /nfs/dbraw/zinc/45/41/70/893454170.db2.gz NCVWNDPKCFSCCC-UNMCSNQZSA-N 2 1 385.552 3.954 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877041742 893454179 /nfs/dbraw/zinc/45/41/79/893454179.db2.gz NCVWNDPKCFSCCC-UNMCSNQZSA-N 2 1 385.552 3.954 20 0 GHADMP CCN(Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536710203 893615811 /nfs/dbraw/zinc/61/58/11/893615811.db2.gz NIGAFFPCHFGDBY-IBGZPJMESA-N 2 1 382.504 3.768 20 0 GHADMP CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536710203 893615814 /nfs/dbraw/zinc/61/58/14/893615814.db2.gz NIGAFFPCHFGDBY-IBGZPJMESA-N 2 1 382.504 3.768 20 0 GHADMP CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536710203 893615817 /nfs/dbraw/zinc/61/58/17/893615817.db2.gz NIGAFFPCHFGDBY-IBGZPJMESA-N 2 1 382.504 3.768 20 0 GHADMP CC[N@@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536710204 893617113 /nfs/dbraw/zinc/61/71/13/893617113.db2.gz NIGAFFPCHFGDBY-LJQANCHMSA-N 2 1 382.504 3.768 20 0 GHADMP CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000536710204 893617123 /nfs/dbraw/zinc/61/71/23/893617123.db2.gz NIGAFFPCHFGDBY-LJQANCHMSA-N 2 1 382.504 3.768 20 0 GHADMP CC[NH+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000536710204 893617135 /nfs/dbraw/zinc/61/71/35/893617135.db2.gz NIGAFFPCHFGDBY-LJQANCHMSA-N 2 1 382.504 3.768 20 0 GHADMP CC[NH+](Cc1cc2c(c(OC)c1)OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000536710204 893617144 /nfs/dbraw/zinc/61/71/44/893617144.db2.gz NIGAFFPCHFGDBY-LJQANCHMSA-N 2 1 382.504 3.768 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639705 /nfs/dbraw/zinc/63/97/05/893639705.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639713 /nfs/dbraw/zinc/63/97/13/893639713.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639718 /nfs/dbraw/zinc/63/97/18/893639718.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 2 1 377.576 3.976 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639726 /nfs/dbraw/zinc/63/97/26/893639726.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 2 1 377.576 3.976 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075988 893639730 /nfs/dbraw/zinc/63/97/30/893639730.db2.gz GYJJCDMFPHSMJB-HVCNVCAESA-N 2 1 377.576 3.976 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1)CC1CC1 ZINC000536737695 893699568 /nfs/dbraw/zinc/69/95/68/893699568.db2.gz QYHMXWLTPLRXDE-INIZCTEOSA-N 2 1 392.975 3.896 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1)CC1CC1 ZINC000536737695 893699574 /nfs/dbraw/zinc/69/95/74/893699574.db2.gz QYHMXWLTPLRXDE-INIZCTEOSA-N 2 1 392.975 3.896 20 0 GHADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000563416694 893709111 /nfs/dbraw/zinc/70/91/11/893709111.db2.gz INMQOXAKDJHWES-UHFFFAOYSA-N 2 1 382.548 3.635 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001137123279 893740984 /nfs/dbraw/zinc/74/09/84/893740984.db2.gz JCTCCSFGKYJJQF-PZJWPPBQSA-N 2 1 385.939 3.581 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856484 893746275 /nfs/dbraw/zinc/74/62/75/893746275.db2.gz LFKMFEBZMLZLML-QGZVFWFLSA-N 2 1 391.357 3.990 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000563500621 893832892 /nfs/dbraw/zinc/83/28/92/893832892.db2.gz SCKRRLJTJAXSNX-AZUAARDMSA-N 2 1 392.547 3.755 20 0 GHADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536834910 893907369 /nfs/dbraw/zinc/90/73/69/893907369.db2.gz SQEXOADWBQEOAA-MJGOQNOKSA-N 2 1 381.923 3.603 20 0 GHADMP Brc1csc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000563612040 893968784 /nfs/dbraw/zinc/96/87/84/893968784.db2.gz KTFDHEDRIJSNED-CYBMUJFWSA-N 2 1 397.342 3.525 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1C ZINC000563645820 894011493 /nfs/dbraw/zinc/01/14/93/894011493.db2.gz MOEUQDXWQSDUNK-INIZCTEOSA-N 2 1 385.581 3.800 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1C ZINC000563645820 894011515 /nfs/dbraw/zinc/01/15/15/894011515.db2.gz MOEUQDXWQSDUNK-INIZCTEOSA-N 2 1 385.581 3.800 20 0 GHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160141 894060153 /nfs/dbraw/zinc/06/01/53/894060153.db2.gz HCUQIUVZDWJGJC-GOTSBHOMSA-N 2 1 384.564 3.703 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160141 894060174 /nfs/dbraw/zinc/06/01/74/894060174.db2.gz HCUQIUVZDWJGJC-GOTSBHOMSA-N 2 1 384.564 3.703 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160141 894060194 /nfs/dbraw/zinc/06/01/94/894060194.db2.gz HCUQIUVZDWJGJC-GOTSBHOMSA-N 2 1 384.564 3.703 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000459727018 894113905 /nfs/dbraw/zinc/11/39/05/894113905.db2.gz HAEJITWBQPRLAD-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574984 894399318 /nfs/dbraw/zinc/39/93/18/894399318.db2.gz YQPLPSZAEJTZMG-VQTJNVASSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574984 894399336 /nfs/dbraw/zinc/39/93/36/894399336.db2.gz YQPLPSZAEJTZMG-VQTJNVASSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574984 894399352 /nfs/dbraw/zinc/39/93/52/894399352.db2.gz YQPLPSZAEJTZMG-VQTJNVASSA-N 2 1 392.609 3.786 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4CC5(CO4)CCOCC5)C3)CC2)cc1 ZINC000878647085 894482128 /nfs/dbraw/zinc/48/21/28/894482128.db2.gz CRYNYYROWIUROQ-QFIPXVFZSA-N 2 1 384.564 3.560 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000537304504 894739022 /nfs/dbraw/zinc/73/90/22/894739022.db2.gz QBMWYXBDAINFCS-OWCLPIDISA-N 2 1 399.373 3.998 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000537325742 894777984 /nfs/dbraw/zinc/77/79/84/894777984.db2.gz OMJMMNYEAKEIRA-AUSIDOKSSA-N 2 1 393.579 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000564258350 894782903 /nfs/dbraw/zinc/78/29/03/894782903.db2.gz URPLUQGRTODSEL-IYBDPMFKSA-N 2 1 396.373 3.735 20 0 GHADMP c1cc([C@H]2CC[NH+](Cc3cncc(C[N@H+]4CC[C@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665020 895165610 /nfs/dbraw/zinc/16/56/10/895165610.db2.gz DCFZKJCIOUUTMB-DQEYMECFSA-N 2 1 399.542 3.851 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000564728477 895213692 /nfs/dbraw/zinc/21/36/92/895213692.db2.gz ANSHJQTZFAILBW-DENIHFKCSA-N 2 1 393.531 3.559 20 0 GHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987190 895338653 /nfs/dbraw/zinc/33/86/53/895338653.db2.gz SFENYHXRAHICOH-LJISPDSOSA-N 2 1 386.565 3.514 20 0 GHADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987187 895339055 /nfs/dbraw/zinc/33/90/55/895339055.db2.gz SFENYHXRAHICOH-BARDWOONSA-N 2 1 386.565 3.514 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000565547837 895714288 /nfs/dbraw/zinc/71/42/88/895714288.db2.gz DIOLZZSRYLUXID-BWAGFHJFSA-N 2 1 375.601 3.610 20 0 GHADMP Cc1csc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001137155942 895735368 /nfs/dbraw/zinc/73/53/68/895735368.db2.gz NNWMKVVPMGHEIC-HMXCVIKNSA-N 2 1 378.582 3.537 20 0 GHADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000565780504 895872235 /nfs/dbraw/zinc/87/22/35/895872235.db2.gz YQIHTLBIDRDFNS-PMACEKPBSA-N 2 1 377.315 3.729 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000565867444 895943414 /nfs/dbraw/zinc/94/34/14/895943414.db2.gz OMKIKFIIVLMNFZ-NHYNNZIHSA-N 2 1 394.559 3.828 20 0 GHADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000796264124 914032760 /nfs/dbraw/zinc/03/27/60/914032760.db2.gz QLDOKOJMOCZYTN-MRXNPFEDSA-N 2 1 375.948 3.973 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001136147113 896175499 /nfs/dbraw/zinc/17/54/99/896175499.db2.gz RIIGQRYLWFBCBI-GOTSBHOMSA-N 2 1 397.607 3.915 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000566242386 896195362 /nfs/dbraw/zinc/19/53/62/896195362.db2.gz OKZDCJBPOYMJBC-ZDUSSCGKSA-N 2 1 389.849 3.619 20 0 GHADMP Cn1cc([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2)cn1 ZINC000566643286 896445780 /nfs/dbraw/zinc/44/57/80/896445780.db2.gz FCOZLWFEUKQJOL-XMMPIXPASA-N 2 1 390.531 3.774 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000566800585 896581634 /nfs/dbraw/zinc/58/16/34/896581634.db2.gz HSSIXHNDJHAWCG-IBGZPJMESA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000566800585 896581644 /nfs/dbraw/zinc/58/16/44/896581644.db2.gz HSSIXHNDJHAWCG-IBGZPJMESA-N 2 1 396.531 3.723 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136219016 896703540 /nfs/dbraw/zinc/70/35/40/896703540.db2.gz JAQKEOIAYGNVFK-RXVVDRJESA-N 2 1 395.950 3.806 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136219016 896703553 /nfs/dbraw/zinc/70/35/53/896703553.db2.gz JAQKEOIAYGNVFK-RXVVDRJESA-N 2 1 395.950 3.806 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H]1c1cccs1 ZINC000567121086 896890427 /nfs/dbraw/zinc/89/04/27/896890427.db2.gz YMFIWSVJNVVFAP-BHIYHBOVSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000567121086 896890445 /nfs/dbraw/zinc/89/04/45/896890445.db2.gz YMFIWSVJNVVFAP-BHIYHBOVSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000567121086 896890461 /nfs/dbraw/zinc/89/04/61/896890461.db2.gz YMFIWSVJNVVFAP-BHIYHBOVSA-N 2 1 392.613 3.551 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000567137415 896903372 /nfs/dbraw/zinc/90/33/72/896903372.db2.gz IVVPBGBMLFACDD-JKSUJKDBSA-N 2 1 378.476 3.867 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001170938895 897003339 /nfs/dbraw/zinc/00/33/39/897003339.db2.gz AVXCQEWPTKKAHD-PTUXOGIPSA-N 2 1 379.548 3.564 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000567486022 897194474 /nfs/dbraw/zinc/19/44/74/897194474.db2.gz XXFQAMSHTXPJIB-NRFANRHFSA-N 2 1 389.971 3.810 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c3c(nn2C)CCSC3)C[N@H+]1Cc1ccccc1 ZINC000883074875 897255088 /nfs/dbraw/zinc/25/50/88/897255088.db2.gz LRUNRSCEGBZXDA-MJGOQNOKSA-N 2 1 384.593 3.600 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3-c3nc(C)c[nH]3)CC2)CC1 ZINC000567912423 897484203 /nfs/dbraw/zinc/48/42/03/897484203.db2.gz JWLTYWOQBXQATB-UHFFFAOYSA-N 2 1 395.551 3.520 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000568511971 897898979 /nfs/dbraw/zinc/89/89/79/897898979.db2.gz DCPCKBXYASYCRM-SJLPKXTDSA-N 2 1 390.597 3.519 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000568530275 897914661 /nfs/dbraw/zinc/91/46/61/897914661.db2.gz UCMDKFUXWNNXGF-VWLOTQADSA-N 2 1 397.607 3.763 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC12CCOCC2 ZINC000569004239 898269005 /nfs/dbraw/zinc/26/90/05/898269005.db2.gz ZGQOGKFDEFJZKS-LJQANCHMSA-N 2 1 386.486 3.784 20 0 GHADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000569039422 898291517 /nfs/dbraw/zinc/29/15/17/898291517.db2.gz XIJHWUNTKLUAOC-HNNXBMFYSA-N 2 1 380.458 3.756 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)[NH+](C)C1CC1 ZINC001136598141 898480180 /nfs/dbraw/zinc/48/01/80/898480180.db2.gz VIMNKAZOVFEMRV-DUXKGJEZSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1)[N@H+](C)C1CC1 ZINC001136598141 898480187 /nfs/dbraw/zinc/48/01/87/898480187.db2.gz VIMNKAZOVFEMRV-DUXKGJEZSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC001136598141 898480189 /nfs/dbraw/zinc/48/01/89/898480189.db2.gz VIMNKAZOVFEMRV-DUXKGJEZSA-N 2 1 397.588 3.563 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCc4cccc(F)c4C3)CC2)c1 ZINC001171010054 898893290 /nfs/dbraw/zinc/89/32/90/898893290.db2.gz KFHDQCFNJNTCPK-NRFANRHFSA-N 2 1 396.506 3.724 20 0 GHADMP FC(F)(F)Cn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000570041826 899087386 /nfs/dbraw/zinc/08/73/86/899087386.db2.gz BLTFDDFNXDTSRV-VAMGGRTRSA-N 2 1 392.469 3.978 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000570041826 899087395 /nfs/dbraw/zinc/08/73/95/899087395.db2.gz BLTFDDFNXDTSRV-VAMGGRTRSA-N 2 1 392.469 3.978 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000823737012 899211760 /nfs/dbraw/zinc/21/17/60/899211760.db2.gz RDBGQKMEYWJVCE-DPLHUUCSSA-N 2 1 399.579 3.745 20 0 GHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000156193657 899514922 /nfs/dbraw/zinc/51/49/22/899514922.db2.gz NAJZITIFYWIAGA-IRXDYDNUSA-N 2 1 388.943 3.952 20 0 GHADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000570919186 899681463 /nfs/dbraw/zinc/68/14/63/899681463.db2.gz HFXIXUCLVSTICD-SJWGOKEGSA-N 2 1 375.513 3.669 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553920 899684795 /nfs/dbraw/zinc/68/47/95/899684795.db2.gz KPCGLNFQAQVUBL-ZINXYGQCSA-N 2 1 388.519 3.713 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824546742 899704156 /nfs/dbraw/zinc/70/41/56/899704156.db2.gz KTPVPICTEHBMKE-QYWGDWMGSA-N 2 1 376.508 3.667 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824546742 899704162 /nfs/dbraw/zinc/70/41/62/899704162.db2.gz KTPVPICTEHBMKE-QYWGDWMGSA-N 2 1 376.508 3.667 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000571924485 900008588 /nfs/dbraw/zinc/00/85/88/900008588.db2.gz LFCFGAVBZOZWGO-UHFFFAOYSA-N 2 1 381.564 3.820 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000571924485 900008602 /nfs/dbraw/zinc/00/86/02/900008602.db2.gz LFCFGAVBZOZWGO-UHFFFAOYSA-N 2 1 381.564 3.820 20 0 GHADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000572446531 900195347 /nfs/dbraw/zinc/19/53/47/900195347.db2.gz ZOFKQLVQIIAPMV-VWNXMTODSA-N 2 1 382.548 3.641 20 0 GHADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000572446531 900195351 /nfs/dbraw/zinc/19/53/51/900195351.db2.gz ZOFKQLVQIIAPMV-VWNXMTODSA-N 2 1 382.548 3.641 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000573236983 900429642 /nfs/dbraw/zinc/42/96/42/900429642.db2.gz STERRIOJPFABIX-RXVVDRJESA-N 2 1 388.577 3.647 20 0 GHADMP Cc1cc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000573299695 900451430 /nfs/dbraw/zinc/45/14/30/900451430.db2.gz YMILANTZKGCHDE-NRFANRHFSA-N 2 1 393.535 3.861 20 0 GHADMP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000574162593 900800831 /nfs/dbraw/zinc/80/08/31/900800831.db2.gz NVPRDQQPYRHTQP-QGZVFWFLSA-N 2 1 398.576 3.597 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCC4(CCOCC4)CO3)CC2)cc1 ZINC000886298886 900923288 /nfs/dbraw/zinc/92/32/88/900923288.db2.gz LEZQAXVWXMZZFD-HSZRJFAPSA-N 2 1 386.580 3.649 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000886585664 901178127 /nfs/dbraw/zinc/17/81/27/901178127.db2.gz CPQGAXMVRPDXDT-VJBMBRPKSA-N 2 1 392.547 3.652 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886585664 901178139 /nfs/dbraw/zinc/17/81/39/901178139.db2.gz CPQGAXMVRPDXDT-VJBMBRPKSA-N 2 1 392.547 3.652 20 0 GHADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)CC2 ZINC000886598753 901181593 /nfs/dbraw/zinc/18/15/93/901181593.db2.gz JJIGWESRWOLPKZ-MALNDZBISA-N 2 1 378.564 3.964 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000575768357 901285664 /nfs/dbraw/zinc/28/56/64/901285664.db2.gz UCCIAMHNIOSOGH-PMACEKPBSA-N 2 1 383.502 3.959 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886816699 901286174 /nfs/dbraw/zinc/28/61/74/901286174.db2.gz XPSYMWSKZVJRQS-YCXOGWGTSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@@H]([C@@H]3CCCO3)C2)C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886816699 901286191 /nfs/dbraw/zinc/28/61/91/901286191.db2.gz XPSYMWSKZVJRQS-YCXOGWGTSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@@H]([C@@H]3CCCO3)C2)C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886816699 901286195 /nfs/dbraw/zinc/28/61/95/901286195.db2.gz XPSYMWSKZVJRQS-YCXOGWGTSA-N 2 1 398.591 3.772 20 0 GHADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000575796785 901311205 /nfs/dbraw/zinc/31/12/05/901311205.db2.gz OXSZICLNYCRUEA-NTKDMRAZSA-N 2 1 393.506 3.712 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144241555 901400525 /nfs/dbraw/zinc/40/05/25/901400525.db2.gz WSEXWCWASQXYQG-UPVQGACJSA-N 2 1 379.548 3.658 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144241555 901400535 /nfs/dbraw/zinc/40/05/35/901400535.db2.gz WSEXWCWASQXYQG-UPVQGACJSA-N 2 1 379.548 3.658 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144241555 901400550 /nfs/dbraw/zinc/40/05/50/901400550.db2.gz WSEXWCWASQXYQG-UPVQGACJSA-N 2 1 379.548 3.658 20 0 GHADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1C/C=C/C[NH+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000091080858 901442037 /nfs/dbraw/zinc/44/20/37/901442037.db2.gz FMBBUPSNPHZVCD-VGIQHARFSA-N 2 1 382.556 3.897 20 0 GHADMP Cc1n[nH]c(C)c1[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000091080858 901442046 /nfs/dbraw/zinc/44/20/46/901442046.db2.gz FMBBUPSNPHZVCD-VGIQHARFSA-N 2 1 382.556 3.897 20 0 GHADMP Cc1n[nH]c(C)c1[C@H]1CCC[NH+]1C/C=C/C[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000091080858 901442057 /nfs/dbraw/zinc/44/20/57/901442057.db2.gz FMBBUPSNPHZVCD-VGIQHARFSA-N 2 1 382.556 3.897 20 0 GHADMP CC[N@H+](Cc1cn(C)nc1-c1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818757 901569223 /nfs/dbraw/zinc/56/92/23/901569223.db2.gz XLFJAQQWBPVALB-OAQYLSRUSA-N 2 1 389.547 3.826 20 0 GHADMP CC[NH+](Cc1cn(C)nc1-c1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818757 901569232 /nfs/dbraw/zinc/56/92/32/901569232.db2.gz XLFJAQQWBPVALB-OAQYLSRUSA-N 2 1 389.547 3.826 20 0 GHADMP CC[NH+](Cc1cn(C)nc1-c1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818757 901569241 /nfs/dbraw/zinc/56/92/41/901569241.db2.gz XLFJAQQWBPVALB-OAQYLSRUSA-N 2 1 389.547 3.826 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc(CC[NH+]3CCC(C)CC3)c1)CC2 ZINC000576045873 901614771 /nfs/dbraw/zinc/61/47/71/901614771.db2.gz UJWDQJMXVUQVNK-HXUWFJFHSA-N 2 1 380.536 3.667 20 0 GHADMP CC(C)(c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[C@H]([NH3+])c1ccccc1 ZINC000576129137 901708491 /nfs/dbraw/zinc/70/84/91/901708491.db2.gz CJNBVBQAFCIHTD-HXUWFJFHSA-N 2 1 392.503 3.546 20 0 GHADMP C(CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[NH+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000576316512 901939798 /nfs/dbraw/zinc/93/97/98/901939798.db2.gz VPLUFYGZYRKEGD-LRSLUSHPSA-N 2 1 388.596 3.834 20 0 GHADMP C(CC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000576316512 901939810 /nfs/dbraw/zinc/93/98/10/901939810.db2.gz VPLUFYGZYRKEGD-LRSLUSHPSA-N 2 1 388.596 3.834 20 0 GHADMP C(CC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000576316512 901939824 /nfs/dbraw/zinc/93/98/24/901939824.db2.gz VPLUFYGZYRKEGD-LRSLUSHPSA-N 2 1 388.596 3.834 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000576836166 902292045 /nfs/dbraw/zinc/29/20/45/902292045.db2.gz SASRICMLRJIGBN-HMXCVIKNSA-N 2 1 375.601 3.658 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000576874223 902324739 /nfs/dbraw/zinc/32/47/39/902324739.db2.gz KHXBDSJZPSKTHM-KRWDZBQOSA-N 2 1 389.341 3.803 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778974679 902392319 /nfs/dbraw/zinc/39/23/19/902392319.db2.gz GFSPLXXXHYNHKM-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP CN(C(=O)Nc1cccc(C2CC2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000577354295 902708977 /nfs/dbraw/zinc/70/89/77/902708977.db2.gz CFSWMZBILPQGRN-RTWAWAEBSA-N 2 1 399.583 3.760 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@H]2CCC[C@H]21 ZINC000846203027 902788073 /nfs/dbraw/zinc/78/80/73/902788073.db2.gz JUUQSDWQLDAMAA-YZGWKJHDSA-N 2 1 391.531 3.813 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779015663 902860420 /nfs/dbraw/zinc/86/04/20/902860420.db2.gz AKIOFYZDYRQEFF-OAQYLSRUSA-N 2 1 387.568 3.949 20 0 GHADMP COCc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)o1 ZINC000290416156 914671777 /nfs/dbraw/zinc/67/17/77/914671777.db2.gz KISFMBYTWJAYDJ-UHFFFAOYSA-N 2 1 387.524 3.543 20 0 GHADMP COCc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)o1 ZINC000290416156 914671789 /nfs/dbraw/zinc/67/17/89/914671789.db2.gz KISFMBYTWJAYDJ-UHFFFAOYSA-N 2 1 387.524 3.543 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779020027 902985471 /nfs/dbraw/zinc/98/54/71/902985471.db2.gz RHQCLYPAUSKEOD-NRSPTQNISA-N 2 1 387.568 3.711 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600855977 903012251 /nfs/dbraw/zinc/01/22/51/903012251.db2.gz JBZJEYOGKKYABZ-QFIPXVFZSA-N 2 1 386.584 3.606 20 0 GHADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000130916833 903038849 /nfs/dbraw/zinc/03/88/49/903038849.db2.gz SVBVYRBOLCRSFB-HSZRJFAPSA-N 2 1 394.563 3.706 20 0 GHADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)C1CCCC1 ZINC001144864534 903041869 /nfs/dbraw/zinc/04/18/69/903041869.db2.gz DBPUPHFWROWXLJ-BJKOFHAPSA-N 2 1 397.607 3.915 20 0 GHADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C1CCCC1 ZINC001144864534 903041885 /nfs/dbraw/zinc/04/18/85/903041885.db2.gz DBPUPHFWROWXLJ-BJKOFHAPSA-N 2 1 397.607 3.915 20 0 GHADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C1CCCC1 ZINC001144864534 903041903 /nfs/dbraw/zinc/04/19/03/903041903.db2.gz DBPUPHFWROWXLJ-BJKOFHAPSA-N 2 1 397.607 3.915 20 0 GHADMP CC[N@@H+](CCCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1)C1CCCCC1 ZINC000846687878 903137488 /nfs/dbraw/zinc/13/74/88/903137488.db2.gz JJSNSIKKVWQUTE-GOSISDBHSA-N 2 1 380.964 3.594 20 0 GHADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000577803078 903212996 /nfs/dbraw/zinc/21/29/96/903212996.db2.gz ZAMZKUAUAOCENC-UHFFFAOYSA-N 2 1 397.350 3.685 20 0 GHADMP CN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000846869524 903251437 /nfs/dbraw/zinc/25/14/37/903251437.db2.gz WTPYQKROZUNLPK-FQEVSTJZSA-N 2 1 389.927 3.546 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000601061800 903283862 /nfs/dbraw/zinc/28/38/62/903283862.db2.gz ANTXEPHCWMKLBO-HXUWFJFHSA-N 2 1 377.960 3.889 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000601061800 903283872 /nfs/dbraw/zinc/28/38/72/903283872.db2.gz ANTXEPHCWMKLBO-HXUWFJFHSA-N 2 1 377.960 3.889 20 0 GHADMP CCC(CC)(CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000601145347 903389352 /nfs/dbraw/zinc/38/93/52/903389352.db2.gz OFOUZZZUPJIHHN-WOJBJXKFSA-N 2 1 388.600 3.926 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000578002009 903435254 /nfs/dbraw/zinc/43/52/54/903435254.db2.gz BCOZOSFRWYPDRH-LSDHHAIUSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000578002009 903435259 /nfs/dbraw/zinc/43/52/59/903435259.db2.gz BCOZOSFRWYPDRH-LSDHHAIUSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@@]3(CCC[N@H+](C[C@H]4CCO[C@@H](C)C4)C3)C2)CCO1 ZINC000578003045 903436561 /nfs/dbraw/zinc/43/65/61/903436561.db2.gz VWJIRFGOUKUNAA-ISBRNDMJSA-N 2 1 378.601 3.795 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@]3(CCC[NH+](C[C@H]4CCO[C@@H](C)C4)C3)C2)CCO1 ZINC000578003045 903436570 /nfs/dbraw/zinc/43/65/70/903436570.db2.gz VWJIRFGOUKUNAA-ISBRNDMJSA-N 2 1 378.601 3.795 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](C[C@H]4CCO[C@@H](C)C4)C3)C2)CCO1 ZINC000578003045 903436575 /nfs/dbraw/zinc/43/65/75/903436575.db2.gz VWJIRFGOUKUNAA-ISBRNDMJSA-N 2 1 378.601 3.795 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OCc1ccncc1 ZINC000290627241 914762874 /nfs/dbraw/zinc/76/28/74/914762874.db2.gz XSKNOVVXPJMKQA-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OCc1ccncc1 ZINC000290627241 914762883 /nfs/dbraw/zinc/76/28/83/914762883.db2.gz XSKNOVVXPJMKQA-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1OCc1ccncc1 ZINC000290627241 914762897 /nfs/dbraw/zinc/76/28/97/914762897.db2.gz XSKNOVVXPJMKQA-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561881 903963857 /nfs/dbraw/zinc/96/38/57/903963857.db2.gz VXBIGUOARINALC-PZJWPPBQSA-N 2 1 390.535 3.615 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)c3ccc(NC(N)=[NH2+])cc3)cccc2[C@H](c2ccccc2)C1 ZINC001148650544 904136797 /nfs/dbraw/zinc/13/67/97/904136797.db2.gz QZEBYTZFGGCADM-FQEVSTJZSA-N 2 1 399.498 3.822 20 0 GHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000151901894 904211813 /nfs/dbraw/zinc/21/18/13/904211813.db2.gz WVGLLJRQPVEKFE-HZPDHXFCSA-N 2 1 398.532 3.501 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCC3([NH+]4CCCCC4)CCOCC3)CC23CC3)cc1 ZINC000578988788 904279245 /nfs/dbraw/zinc/27/92/45/904279245.db2.gz OUTXCPCZZUNBPK-QHCPKHFHSA-N 2 1 397.607 3.808 20 0 GHADMP COc1cccc(CC2([NH3+])CC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)CC2)c1 ZINC001171357767 904348575 /nfs/dbraw/zinc/34/85/75/904348575.db2.gz NTRUHFVDGCMEJC-LJQANCHMSA-N 2 1 386.486 3.867 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000773118167 904448264 /nfs/dbraw/zinc/44/82/64/904448264.db2.gz MVXIAKXSAMFSDN-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000773118167 904448266 /nfs/dbraw/zinc/44/82/66/904448266.db2.gz MVXIAKXSAMFSDN-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000773140019 904476925 /nfs/dbraw/zinc/47/69/25/904476925.db2.gz PQWDZGAFPLOLIH-OAQYLSRUSA-N 2 1 394.893 3.948 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000579365076 904543966 /nfs/dbraw/zinc/54/39/66/904543966.db2.gz LSCKHUOJXKPHJV-JOCHJYFZSA-N 2 1 381.520 3.744 20 0 GHADMP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC001171505614 904782590 /nfs/dbraw/zinc/78/25/90/904782590.db2.gz KPXCFVLHYQHSAI-GOSISDBHSA-N 2 1 390.449 3.583 20 0 GHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137259566 904858690 /nfs/dbraw/zinc/85/86/90/904858690.db2.gz MAUJYHZPJJLAPC-UHFFFAOYSA-N 2 1 376.522 3.750 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137259566 904858704 /nfs/dbraw/zinc/85/87/04/904858704.db2.gz MAUJYHZPJJLAPC-UHFFFAOYSA-N 2 1 376.522 3.750 20 0 GHADMP CN(Cc1ccco1)[C@@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)[C@@H]2CCCO[C@H]12 ZINC001171638102 904926230 /nfs/dbraw/zinc/92/62/30/904926230.db2.gz RKMSFZCPFTYRKO-NJYVYQBISA-N 2 1 389.584 3.595 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]12 ZINC001171638346 904927738 /nfs/dbraw/zinc/92/77/38/904927738.db2.gz UEZXLUPEUACHJI-RCZVLFRGSA-N 2 1 397.607 3.902 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641939 904931612 /nfs/dbraw/zinc/93/16/12/904931612.db2.gz WSVTWBJTBGWEOF-UHFFFAOYSA-N 3 1 380.665 3.768 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001171726150 904952302 /nfs/dbraw/zinc/95/23/02/904952302.db2.gz DFJQMWINIWVSBV-XJABCFGWSA-N 2 1 391.515 3.520 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001171726150 904952309 /nfs/dbraw/zinc/95/23/09/904952309.db2.gz DFJQMWINIWVSBV-XJABCFGWSA-N 2 1 391.515 3.520 20 0 GHADMP CO[C@H](C[NH+]1CCN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001171759137 904992625 /nfs/dbraw/zinc/99/26/25/904992625.db2.gz HFIQDKINYVEIHW-FTBPSBKWSA-N 2 1 393.575 3.655 20 0 GHADMP CO[C@H](C[NH+]1CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001171759137 904992635 /nfs/dbraw/zinc/99/26/35/904992635.db2.gz HFIQDKINYVEIHW-FTBPSBKWSA-N 2 1 393.575 3.655 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171737856 905021355 /nfs/dbraw/zinc/02/13/55/905021355.db2.gz FATOADQMGDORIE-AUSIDOKSSA-N 2 1 381.539 3.825 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171739761 905026495 /nfs/dbraw/zinc/02/64/95/905026495.db2.gz GEZQRUBWEKYNNQ-UGKGYDQZSA-N 2 1 379.548 3.608 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1Cc3cccc(F)c3C1)CC2 ZINC001171800434 905062164 /nfs/dbraw/zinc/06/21/64/905062164.db2.gz VCFPGDWPDQIHHQ-MOPGFXCFSA-N 2 1 384.495 3.641 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001171860961 905109298 /nfs/dbraw/zinc/10/92/98/905109298.db2.gz MBBRLZFZSQZGCE-JOCHJYFZSA-N 2 1 378.520 3.774 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965718 905174325 /nfs/dbraw/zinc/17/43/25/905174325.db2.gz JBTABVDHUJGYPC-QFIPXVFZSA-N 2 1 379.548 3.678 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965718 905174333 /nfs/dbraw/zinc/17/43/33/905174333.db2.gz JBTABVDHUJGYPC-QFIPXVFZSA-N 2 1 379.548 3.678 20 0 GHADMP CC(C)(C)[C@@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979801 905230043 /nfs/dbraw/zinc/23/00/43/905230043.db2.gz QZTSKVICXCTTMZ-FGZHOGPDSA-N 2 1 387.612 3.766 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983755 905239149 /nfs/dbraw/zinc/23/91/49/905239149.db2.gz AGMIXRZKKVRJGN-NHCUHLMSSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983755 905239162 /nfs/dbraw/zinc/23/91/62/905239162.db2.gz AGMIXRZKKVRJGN-NHCUHLMSSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983755 905239169 /nfs/dbraw/zinc/23/91/69/905239169.db2.gz AGMIXRZKKVRJGN-NHCUHLMSSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983755 905239180 /nfs/dbraw/zinc/23/91/80/905239180.db2.gz AGMIXRZKKVRJGN-NHCUHLMSSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@H](Oc3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171983954 905240995 /nfs/dbraw/zinc/24/09/95/905240995.db2.gz BGMYPQNZQFFWHG-RTWAWAEBSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@H](Oc3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983954 905241005 /nfs/dbraw/zinc/24/10/05/905241005.db2.gz BGMYPQNZQFFWHG-RTWAWAEBSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@H](Oc3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983954 905241023 /nfs/dbraw/zinc/24/10/23/905241023.db2.gz BGMYPQNZQFFWHG-RTWAWAEBSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](Oc3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983954 905241041 /nfs/dbraw/zinc/24/10/41/905241041.db2.gz BGMYPQNZQFFWHG-RTWAWAEBSA-N 2 1 380.536 3.763 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)ncn1 ZINC001171986775 905246933 /nfs/dbraw/zinc/24/69/33/905246933.db2.gz LIOHLVYSHSZNRV-JOCHJYFZSA-N 2 1 393.579 3.787 20 0 GHADMP O=C1C[C@@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CCN1C1CC1 ZINC001172019841 905263177 /nfs/dbraw/zinc/26/31/77/905263177.db2.gz STWYIDHYAAMRTO-QFIPXVFZSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074173 905280938 /nfs/dbraw/zinc/28/09/38/905280938.db2.gz GBGVPTIKUQQREZ-CJRSTVEYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074173 905280947 /nfs/dbraw/zinc/28/09/47/905280947.db2.gz GBGVPTIKUQQREZ-CJRSTVEYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074173 905280962 /nfs/dbraw/zinc/28/09/62/905280962.db2.gz GBGVPTIKUQQREZ-CJRSTVEYSA-N 2 1 395.591 3.907 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172088825 905305255 /nfs/dbraw/zinc/30/52/55/905305255.db2.gz OPVUWGFSERFZJG-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172088825 905305273 /nfs/dbraw/zinc/30/52/73/905305273.db2.gz OPVUWGFSERFZJG-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172088825 905305293 /nfs/dbraw/zinc/30/52/93/905305293.db2.gz OPVUWGFSERFZJG-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063105 905325811 /nfs/dbraw/zinc/32/58/11/905325811.db2.gz WLEXCEWLLINBRX-WBDAEOGXSA-N 2 1 383.580 3.809 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccc(Br)cc3)C1)C2 ZINC001172116036 905366231 /nfs/dbraw/zinc/36/62/31/905366231.db2.gz XIWBNIDPNSSUSJ-HAGHYFMRSA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccc(Br)cc3)C1)C2 ZINC001172116036 905366249 /nfs/dbraw/zinc/36/62/49/905366249.db2.gz XIWBNIDPNSSUSJ-HAGHYFMRSA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122286 905385392 /nfs/dbraw/zinc/38/53/92/905385392.db2.gz ZAEIDIHGNBDSMO-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122286 905385406 /nfs/dbraw/zinc/38/54/06/905385406.db2.gz ZAEIDIHGNBDSMO-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122286 905385421 /nfs/dbraw/zinc/38/54/21/905385421.db2.gz ZAEIDIHGNBDSMO-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C(=O)OC(C)(C)C)cc2)CC1 ZINC001172242384 905444073 /nfs/dbraw/zinc/44/40/73/905444073.db2.gz ACOKIUCWVQPEIN-UHFFFAOYSA-N 2 1 391.556 3.648 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001172468077 905580060 /nfs/dbraw/zinc/58/00/60/905580060.db2.gz VKTNYYBWBHPXLT-LJQANCHMSA-N 2 1 380.598 3.866 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172518561 905612777 /nfs/dbraw/zinc/61/27/77/905612777.db2.gz ZRCXMXHVMATNPT-YPIGPJMWSA-N 2 1 383.580 3.639 20 0 GHADMP c1ccc([C@@H]2CC[C@H]([NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560825 905623639 /nfs/dbraw/zinc/62/36/39/905623639.db2.gz LJGFXSQJXQBUEK-ZKGSSEMHSA-N 2 1 391.559 3.941 20 0 GHADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560825 905623646 /nfs/dbraw/zinc/62/36/46/905623646.db2.gz LJGFXSQJXQBUEK-ZKGSSEMHSA-N 2 1 391.559 3.941 20 0 GHADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560825 905623658 /nfs/dbraw/zinc/62/36/58/905623658.db2.gz LJGFXSQJXQBUEK-ZKGSSEMHSA-N 2 1 391.559 3.941 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172609695 905668491 /nfs/dbraw/zinc/66/84/91/905668491.db2.gz RHHSLQARGUYDHW-WMLDXEAASA-N 2 1 384.442 3.687 20 0 GHADMP COc1cccc(C[N@@H+]([C@@H](C)CCC(=O)OC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172750535 905788556 /nfs/dbraw/zinc/78/85/56/905788556.db2.gz HROUPSUGBKIHCI-IHPCNDPISA-N 2 1 376.541 3.887 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001172785793 905826873 /nfs/dbraw/zinc/82/68/73/905826873.db2.gz IZOZIANROVMJSU-LEWJYISDSA-N 2 1 399.579 3.880 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172866314 905883123 /nfs/dbraw/zinc/88/31/23/905883123.db2.gz HFNAMLAYAVLWKV-INIZCTEOSA-N 2 1 390.934 3.761 20 0 GHADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2c(C[NH3+])cc3cc(Cl)ccc32)CC1 ZINC001172882925 905968818 /nfs/dbraw/zinc/96/88/18/905968818.db2.gz MECZVPBOTWOZIB-UHFFFAOYSA-N 2 1 377.916 3.732 20 0 GHADMP Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001212689325 905974144 /nfs/dbraw/zinc/97/41/44/905974144.db2.gz YTHVTAUTFKJSQM-CALCHBBNSA-N 2 1 395.551 3.951 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc4ccccc4n3)CC2)cs1 ZINC000628217383 906018999 /nfs/dbraw/zinc/01/89/99/906018999.db2.gz VBXSAMQCSBTVOF-UHFFFAOYSA-N 2 1 381.549 3.651 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628218701 906019811 /nfs/dbraw/zinc/01/98/11/906019811.db2.gz NQTGQXAKKAFULI-TZIWHRDSSA-N 2 1 392.465 3.721 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628218701 906019827 /nfs/dbraw/zinc/01/98/27/906019827.db2.gz NQTGQXAKKAFULI-TZIWHRDSSA-N 2 1 392.465 3.721 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172960403 906068643 /nfs/dbraw/zinc/06/86/43/906068643.db2.gz XSWYMRKHPJKXBT-MSOLQXFVSA-N 2 1 397.604 3.644 20 0 GHADMP CC[NH+](CC)C1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CC1 ZINC001173111748 906199148 /nfs/dbraw/zinc/19/91/48/906199148.db2.gz PQXNUGDTFKIIBR-UHFFFAOYSA-N 3 1 389.584 3.599 20 0 GHADMP CC[NH+](CC)C1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CC1 ZINC001173111748 906199154 /nfs/dbraw/zinc/19/91/54/906199154.db2.gz PQXNUGDTFKIIBR-UHFFFAOYSA-N 3 1 389.584 3.599 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C1)CO2 ZINC001173166836 906223762 /nfs/dbraw/zinc/22/37/62/906223762.db2.gz PEUMTUCKDOVIEO-VSKRKVRLSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C1)CO2 ZINC001173166836 906223780 /nfs/dbraw/zinc/22/37/80/906223780.db2.gz PEUMTUCKDOVIEO-VSKRKVRLSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C1)CO2 ZINC001173166836 906223787 /nfs/dbraw/zinc/22/37/87/906223787.db2.gz PEUMTUCKDOVIEO-VSKRKVRLSA-N 2 1 392.543 3.843 20 0 GHADMP C[NH+]1CCN(c2cccc(Nc3ccc(N4CC[NH+](C)CC4)c(Cl)c3)c2)CC1 ZINC001212713720 906296105 /nfs/dbraw/zinc/29/61/05/906296105.db2.gz DNSVZIVNWBWEFJ-UHFFFAOYSA-N 2 1 399.970 3.587 20 0 GHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)C1 ZINC001173275265 906346787 /nfs/dbraw/zinc/34/67/87/906346787.db2.gz GXDJPZKAYFLGJE-FCEUIQTBSA-N 2 1 378.601 3.795 20 0 GHADMP CC[N@H+]1CC[C@H](N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)C1 ZINC001173374720 906403837 /nfs/dbraw/zinc/40/38/37/906403837.db2.gz MOOVCEWBEOBHNN-QHCPKHFHSA-N 2 1 375.560 3.878 20 0 GHADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173387549 906416444 /nfs/dbraw/zinc/41/64/44/906416444.db2.gz XXLISETUWHDQOH-KURKYZTESA-N 2 1 398.588 3.516 20 0 GHADMP COC(=O)CCCC[C@@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001173446979 906485769 /nfs/dbraw/zinc/48/57/69/906485769.db2.gz YGXAIFRJHHZUGY-ZJACJNJLSA-N 2 1 378.516 3.685 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173452573 906493079 /nfs/dbraw/zinc/49/30/79/906493079.db2.gz TVRACKREDBTTOO-SEIRJHJZSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173452573 906493084 /nfs/dbraw/zinc/49/30/84/906493084.db2.gz TVRACKREDBTTOO-SEIRJHJZSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173452573 906493088 /nfs/dbraw/zinc/49/30/88/906493088.db2.gz TVRACKREDBTTOO-SEIRJHJZSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173452573 906493094 /nfs/dbraw/zinc/49/30/94/906493094.db2.gz TVRACKREDBTTOO-SEIRJHJZSA-N 2 1 387.568 3.736 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001173558568 906532252 /nfs/dbraw/zinc/53/22/52/906532252.db2.gz URIKZPBOWKTLSE-LMDPOFIKSA-N 2 1 397.357 3.631 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC001173558568 906532261 /nfs/dbraw/zinc/53/22/61/906532261.db2.gz URIKZPBOWKTLSE-LMDPOFIKSA-N 2 1 397.357 3.631 20 0 GHADMP CCCCS[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365910957 921244356 /nfs/dbraw/zinc/24/43/56/921244356.db2.gz BPGQQEIFCGRZDQ-GOSISDBHSA-N 2 1 383.646 3.563 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC001173605226 906556919 /nfs/dbraw/zinc/55/69/19/906556919.db2.gz AFKCPZDPSSMLQG-RKLZYTQMSA-N 2 1 384.564 3.999 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC001173605226 906556927 /nfs/dbraw/zinc/55/69/27/906556927.db2.gz AFKCPZDPSSMLQG-RKLZYTQMSA-N 2 1 384.564 3.999 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173608172 906561391 /nfs/dbraw/zinc/56/13/91/906561391.db2.gz MEELHYJUBMGXDJ-HDUOELNOSA-N 2 1 385.552 3.666 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001173645394 906629483 /nfs/dbraw/zinc/62/94/83/906629483.db2.gz SYOWCNHOZXRIEV-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001173645394 906629493 /nfs/dbraw/zinc/62/94/93/906629493.db2.gz SYOWCNHOZXRIEV-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001173645394 906629499 /nfs/dbraw/zinc/62/94/99/906629499.db2.gz SYOWCNHOZXRIEV-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001173645394 906629509 /nfs/dbraw/zinc/62/95/09/906629509.db2.gz SYOWCNHOZXRIEV-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206212486 906650337 /nfs/dbraw/zinc/65/03/37/906650337.db2.gz RUOVOGAZPITASJ-MOPGFXCFSA-N 2 1 376.447 3.771 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206212486 906650341 /nfs/dbraw/zinc/65/03/41/906650341.db2.gz RUOVOGAZPITASJ-MOPGFXCFSA-N 2 1 376.447 3.771 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629563017 906868873 /nfs/dbraw/zinc/86/88/73/906868873.db2.gz OSUXYZIMTYKEPW-HKUYNNGSSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629563017 906868881 /nfs/dbraw/zinc/86/88/81/906868881.db2.gz OSUXYZIMTYKEPW-HKUYNNGSSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629564201 906871137 /nfs/dbraw/zinc/87/11/37/906871137.db2.gz RZPDRXFIDZJYEW-MJGOQNOKSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629564201 906871140 /nfs/dbraw/zinc/87/11/40/906871140.db2.gz RZPDRXFIDZJYEW-MJGOQNOKSA-N 2 1 379.426 3.620 20 0 GHADMP C[C@H](CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000629601196 906892789 /nfs/dbraw/zinc/89/27/89/906892789.db2.gz IPJHSCLEOOUVKZ-MOPGFXCFSA-N 2 1 383.536 3.554 20 0 GHADMP C[C@H](CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000629601196 906892796 /nfs/dbraw/zinc/89/27/96/906892796.db2.gz IPJHSCLEOOUVKZ-MOPGFXCFSA-N 2 1 383.536 3.554 20 0 GHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)nc2)c1 ZINC000629702303 906968777 /nfs/dbraw/zinc/96/87/77/906968777.db2.gz LCHSRESXKHDVEK-UWJYYQICSA-N 2 1 378.520 3.671 20 0 GHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)nc2)c1 ZINC000629702272 906969378 /nfs/dbraw/zinc/96/93/78/906969378.db2.gz LCHSRESXKHDVEK-DYESRHJHSA-N 2 1 378.520 3.671 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](Cn2cc(-c3cccc(C[NH+]4CCC[C@@H]4C)c3)cn2)C1 ZINC000629702782 906970955 /nfs/dbraw/zinc/97/09/55/906970955.db2.gz UWTJWLUPPPMBJQ-WMZHIEFXSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@@H](Cn2cc(-c3cccc(C[N@@H+]4CCC[C@@H]4C)c3)cn2)C1 ZINC000629702782 906970966 /nfs/dbraw/zinc/97/09/66/906970966.db2.gz UWTJWLUPPPMBJQ-WMZHIEFXSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@@H](Cn2cc(-c3cccc(C[N@H+]4CCC[C@@H]4C)c3)cn2)C1 ZINC000629702782 906970992 /nfs/dbraw/zinc/97/09/92/906970992.db2.gz UWTJWLUPPPMBJQ-WMZHIEFXSA-N 2 1 382.552 3.644 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000779420884 906971765 /nfs/dbraw/zinc/97/17/65/906971765.db2.gz FRCGXZTZCVBPKH-MDNKFWRPSA-N 2 1 394.506 3.854 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181726638 907063767 /nfs/dbraw/zinc/06/37/67/907063767.db2.gz MTAVJIZXYRDDNT-JOCHJYFZSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181726638 907063781 /nfs/dbraw/zinc/06/37/81/907063781.db2.gz MTAVJIZXYRDDNT-JOCHJYFZSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181726638 907063800 /nfs/dbraw/zinc/06/38/00/907063800.db2.gz MTAVJIZXYRDDNT-JOCHJYFZSA-N 2 1 385.596 3.725 20 0 GHADMP CC(C)c1ccc(C2(O)CCC([NH2+]CCCN3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000182065250 907126718 /nfs/dbraw/zinc/12/67/18/907126718.db2.gz WTEZXSGLVWCHOZ-UHFFFAOYSA-N 2 1 387.612 3.557 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000182232633 907164196 /nfs/dbraw/zinc/16/41/96/907164196.db2.gz FWVCORNOWHMCFJ-FXAWDEMLSA-N 2 1 384.520 3.511 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CCC2CC2)CC2CC2)CC1 ZINC001174828451 907225375 /nfs/dbraw/zinc/22/53/75/907225375.db2.gz ZHLBMLOQKDLVOL-UHFFFAOYSA-N 2 1 383.580 3.588 20 0 GHADMP CC1(C)C[N@H+](CC(=O)Nc2ccccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174983134 907332707 /nfs/dbraw/zinc/33/27/07/907332707.db2.gz DDYVIBLTGTXZSZ-QHCPKHFHSA-N 2 1 392.547 3.643 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)Nc2ccccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174983134 907332726 /nfs/dbraw/zinc/33/27/26/907332726.db2.gz DDYVIBLTGTXZSZ-QHCPKHFHSA-N 2 1 392.547 3.643 20 0 GHADMP CC(C)(C)CNC(=O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174983335 907333639 /nfs/dbraw/zinc/33/36/39/907333639.db2.gz HMEYSDDIOOHIEH-QFIPXVFZSA-N 2 1 385.596 3.771 20 0 GHADMP Cc1[nH+]ccn1Cc1ccc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC001175826252 907783717 /nfs/dbraw/zinc/78/37/17/907783717.db2.gz DADBPQNMTAKYCP-UHFFFAOYSA-N 2 1 391.519 3.665 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c2ccccc2C1 ZINC000631664118 907796414 /nfs/dbraw/zinc/79/64/14/907796414.db2.gz LXXGGSXZSNKRND-VPHKFGTKSA-N 2 1 391.559 3.838 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671203 907811138 /nfs/dbraw/zinc/81/11/38/907811138.db2.gz UCOPKHCXUYUORR-AABGKKOBSA-N 2 1 398.595 3.856 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671203 907811143 /nfs/dbraw/zinc/81/11/43/907811143.db2.gz UCOPKHCXUYUORR-AABGKKOBSA-N 2 1 398.595 3.856 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697681 907816676 /nfs/dbraw/zinc/81/66/76/907816676.db2.gz QJFCZFQBLWEDPX-OWCLPIDISA-N 2 1 393.959 3.918 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697681 907816687 /nfs/dbraw/zinc/81/66/87/907816687.db2.gz QJFCZFQBLWEDPX-OWCLPIDISA-N 2 1 393.959 3.918 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000192755719 907882692 /nfs/dbraw/zinc/88/26/92/907882692.db2.gz RTTIXLFHHUPFGB-ZEQRLZLVSA-N 2 1 387.612 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001176129665 907951512 /nfs/dbraw/zinc/95/15/12/907951512.db2.gz HYCKGAMXVQJFPF-QFIPXVFZSA-N 2 1 379.589 3.976 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC001177256438 908493819 /nfs/dbraw/zinc/49/38/19/908493819.db2.gz GBXUROYGYOBUFX-LJQANCHMSA-N 2 1 375.520 3.789 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC001177315416 908521139 /nfs/dbraw/zinc/52/11/39/908521139.db2.gz ZCERKEFVEVUXHS-UHFFFAOYSA-N 2 1 377.532 3.641 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000191517801 908635471 /nfs/dbraw/zinc/63/54/71/908635471.db2.gz FNJRPSKUVFWTNN-HNNXBMFYSA-N 2 1 394.466 3.786 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000191517801 908635478 /nfs/dbraw/zinc/63/54/78/908635478.db2.gz FNJRPSKUVFWTNN-HNNXBMFYSA-N 2 1 394.466 3.786 20 0 GHADMP Clc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Br ZINC000192167807 908732984 /nfs/dbraw/zinc/73/29/84/908732984.db2.gz DXGRSCPTBVRJRH-CQSZACIVSA-N 2 1 387.749 3.693 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C4CCC4)CC3)CC2)CC1 ZINC000634524159 908746874 /nfs/dbraw/zinc/74/68/74/908746874.db2.gz UREVRQVJWMXRGY-HXUWFJFHSA-N 2 1 375.601 3.612 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCCc3ccc4c(c3)CCO4)CC2)oc1C ZINC000193290337 908863310 /nfs/dbraw/zinc/86/33/10/908863310.db2.gz CEKQIQDAAXPVNB-UHFFFAOYSA-N 2 1 383.536 3.661 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC001178972171 909339818 /nfs/dbraw/zinc/33/98/18/909339818.db2.gz PEMWQOLTLDNXSL-NHCUHLMSSA-N 2 1 396.560 3.765 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC001178972171 909339835 /nfs/dbraw/zinc/33/98/35/909339835.db2.gz PEMWQOLTLDNXSL-NHCUHLMSSA-N 2 1 396.560 3.765 20 0 GHADMP CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)cc1F ZINC001178971719 909340084 /nfs/dbraw/zinc/34/00/84/909340084.db2.gz MOTXCMUYYSJRKO-NFBKMPQASA-N 2 1 386.511 3.851 20 0 GHADMP CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)cc1F ZINC001178971719 909340097 /nfs/dbraw/zinc/34/00/97/909340097.db2.gz MOTXCMUYYSJRKO-NFBKMPQASA-N 2 1 386.511 3.851 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001180080842 909934958 /nfs/dbraw/zinc/93/49/58/909934958.db2.gz GXRFQLAVCDPTKX-IBGZPJMESA-N 2 1 381.605 3.981 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001180080842 909934968 /nfs/dbraw/zinc/93/49/68/909934968.db2.gz GXRFQLAVCDPTKX-IBGZPJMESA-N 2 1 381.605 3.981 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001180080842 909934971 /nfs/dbraw/zinc/93/49/71/909934971.db2.gz GXRFQLAVCDPTKX-IBGZPJMESA-N 2 1 381.605 3.981 20 0 GHADMP CN(C)C(=O)C1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637863379 909990803 /nfs/dbraw/zinc/99/08/03/909990803.db2.gz AUJXMUUDZIQANM-DEOSSOPVSA-N 2 1 385.596 3.725 20 0 GHADMP CCOc1cc(F)ccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637916266 910003009 /nfs/dbraw/zinc/00/30/09/910003009.db2.gz DHLWBRZQZSDULY-UHFFFAOYSA-N 2 1 385.483 3.547 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1SC(F)F ZINC000268841612 910041473 /nfs/dbraw/zinc/04/14/73/910041473.db2.gz ATDAIZWWADVLFR-ZBFHGGJFSA-N 2 1 388.524 3.897 20 0 GHADMP COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001180302171 910057764 /nfs/dbraw/zinc/05/77/64/910057764.db2.gz TZUWWYOVFRYBMU-SOBISTDDSA-N 2 1 384.564 3.999 20 0 GHADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000268917560 910069157 /nfs/dbraw/zinc/06/91/57/910069157.db2.gz QQMADWUQSDTJNT-UHFFFAOYSA-N 2 1 383.458 3.984 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638427640 910151845 /nfs/dbraw/zinc/15/18/45/910151845.db2.gz WMGWYWCDBRDEPX-GMAHTHKFSA-N 2 1 383.580 3.981 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638427640 910151855 /nfs/dbraw/zinc/15/18/55/910151855.db2.gz WMGWYWCDBRDEPX-GMAHTHKFSA-N 2 1 383.580 3.981 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000269714746 910340295 /nfs/dbraw/zinc/34/02/95/910340295.db2.gz RPTJCNKXQSKIJR-RBUKOAKNSA-N 2 1 394.519 3.559 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](C)c1cccc(Br)c1 ZINC001181489078 910791793 /nfs/dbraw/zinc/79/17/93/910791793.db2.gz VWDDMVVRYWVJCC-XLIONFOSSA-N 2 1 396.417 3.901 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cn1 ZINC000283982015 911710648 /nfs/dbraw/zinc/71/06/48/911710648.db2.gz GZORGARBTHGWCA-QFBILLFUSA-N 2 1 399.539 3.701 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000646950168 914945996 /nfs/dbraw/zinc/94/59/96/914945996.db2.gz HDKKXCJJZAQFOL-QHCPKHFHSA-N 2 1 385.596 3.522 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NC(C)(C)CC[NH+](C)C ZINC001187035665 915007830 /nfs/dbraw/zinc/00/78/30/915007830.db2.gz DMVBHWJBPQVEIV-AEFFLSMTSA-N 2 1 381.511 3.694 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NC(C)(C)CC[NH+](C)C ZINC001187035665 915007843 /nfs/dbraw/zinc/00/78/43/915007843.db2.gz DMVBHWJBPQVEIV-AEFFLSMTSA-N 2 1 381.511 3.694 20 0 GHADMP CC(C)C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288886 915139215 /nfs/dbraw/zinc/13/92/15/915139215.db2.gz TYIXSRZCVAHMFU-DHIUTWEWSA-N 2 1 394.563 3.656 20 0 GHADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344584 915165288 /nfs/dbraw/zinc/16/52/88/915165288.db2.gz UVIKWNLVAZUROB-BWAGFHJFSA-N 2 1 379.548 3.901 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647977166 915459521 /nfs/dbraw/zinc/45/95/21/915459521.db2.gz YVCJAUPVYFXTGY-BZSNNMDCSA-N 2 1 377.960 3.995 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000647977075 915459581 /nfs/dbraw/zinc/45/95/81/915459581.db2.gz XREBUSXSCLOXRU-ZRCGQRJVSA-N 2 1 397.588 3.665 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647977167 915460231 /nfs/dbraw/zinc/46/02/31/915460231.db2.gz YVCJAUPVYFXTGY-KSZLIROESA-N 2 1 377.960 3.995 20 0 GHADMP COc1ncncc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000648039352 915494311 /nfs/dbraw/zinc/49/43/11/915494311.db2.gz FEHAGDCLYQNESG-NRFANRHFSA-N 2 1 380.536 3.608 20 0 GHADMP COc1ncncc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000648039352 915494315 /nfs/dbraw/zinc/49/43/15/915494315.db2.gz FEHAGDCLYQNESG-NRFANRHFSA-N 2 1 380.536 3.608 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnn(C3CCCC3)c1-c1ccccc1)CCO2 ZINC000648072312 915508484 /nfs/dbraw/zinc/50/84/84/915508484.db2.gz XJVWWITXKPHYKT-UHFFFAOYSA-N 2 1 394.563 3.962 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnn(C3CCCC3)c1-c1ccccc1)CCO2 ZINC000648072312 915508492 /nfs/dbraw/zinc/50/84/92/915508492.db2.gz XJVWWITXKPHYKT-UHFFFAOYSA-N 2 1 394.563 3.962 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000292369350 915639461 /nfs/dbraw/zinc/63/94/61/915639461.db2.gz ZBXVPJDXVMRKDF-DQMJNTIXSA-N 2 1 398.522 3.650 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3Cl)CC2)C1=O ZINC001275652351 915658182 /nfs/dbraw/zinc/65/81/82/915658182.db2.gz BNSUUMUAOCJTTI-HXUWFJFHSA-N 2 1 398.378 3.760 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc3cc(Cl)cnc3o2)c2cccs2)CC1 ZINC000648401705 915682595 /nfs/dbraw/zinc/68/25/95/915682595.db2.gz DQKVYGKBZGFMGM-QGZVFWFLSA-N 2 1 390.940 3.621 20 0 GHADMP CC1=C(C)C[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000648814783 915890435 /nfs/dbraw/zinc/89/04/35/915890435.db2.gz RZGQIPWAPRLKFM-NRFANRHFSA-N 2 1 375.601 3.778 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CCC4(CCC[N@H+]4CC4CC4)CC3)cc2)CC1 ZINC001188306311 915905057 /nfs/dbraw/zinc/90/50/57/915905057.db2.gz GTKPZWIQTNKHRI-UHFFFAOYSA-N 2 1 395.591 3.976 20 0 GHADMP C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000293806438 916395053 /nfs/dbraw/zinc/39/50/53/916395053.db2.gz YFJRACXYISSEKR-FQEVSTJZSA-N 2 1 383.580 3.622 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)C1 ZINC000650722381 917248269 /nfs/dbraw/zinc/24/82/69/917248269.db2.gz RIHKBSJSZKTBSV-OIBXWCBGSA-N 2 1 381.520 3.521 20 0 GHADMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)CC1 ZINC001190811235 917606370 /nfs/dbraw/zinc/60/63/70/917606370.db2.gz UXVYFSIZFWTJFX-UHFFFAOYSA-N 2 1 379.548 3.795 20 0 GHADMP c1c2cnccc2oc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000651817551 917714803 /nfs/dbraw/zinc/71/48/03/917714803.db2.gz QVIMXAYZGLJGDK-NRFANRHFSA-N 2 1 391.515 3.846 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000652172799 917827563 /nfs/dbraw/zinc/82/75/63/917827563.db2.gz LLKXDSDGFLRSRK-TZIWHRDSSA-N 2 1 394.563 3.506 20 0 GHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)cc1OC ZINC000652355635 917878783 /nfs/dbraw/zinc/87/87/83/917878783.db2.gz BQCNSAIYIIFQTM-WMLDXEAASA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)cc1OC ZINC000652355635 917878791 /nfs/dbraw/zinc/87/87/91/917878791.db2.gz BQCNSAIYIIFQTM-WMLDXEAASA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652362684 917882196 /nfs/dbraw/zinc/88/21/96/917882196.db2.gz MSPNXNGADKVPSY-CVAIRZPRSA-N 2 1 387.549 3.680 20 0 GHADMP O=C(NC1CCCCC1)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000363265260 918002953 /nfs/dbraw/zinc/00/29/53/918002953.db2.gz ZZLNKSSETALZRC-UHFFFAOYSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000654634817 919260939 /nfs/dbraw/zinc/26/09/39/919260939.db2.gz RVCWLSFVKLEQGT-BJKOFHAPSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654634817 919260959 /nfs/dbraw/zinc/26/09/59/919260959.db2.gz RVCWLSFVKLEQGT-BJKOFHAPSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654634817 919260970 /nfs/dbraw/zinc/26/09/70/919260970.db2.gz RVCWLSFVKLEQGT-BJKOFHAPSA-N 2 1 391.559 3.537 20 0 GHADMP [NH3+]CCCC[C@@H]([NH2+]Cc1ccnc(-c2ccccn2)n1)c1ccc(F)cc1F ZINC000902401965 922163797 /nfs/dbraw/zinc/16/37/97/922163797.db2.gz GNKVLHRPBWFPIS-LJQANCHMSA-N 2 1 383.446 3.777 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(-c2ccccc2)n1C ZINC000902501131 922241448 /nfs/dbraw/zinc/24/14/48/922241448.db2.gz IPLHTDAJBZFZLY-WPSZSDGUSA-N 2 1 388.515 3.994 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517918 922251905 /nfs/dbraw/zinc/25/19/05/922251905.db2.gz ORVWLKJEGRLQDQ-XGARDCMYSA-N 3 1 378.564 3.800 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903047863 922727078 /nfs/dbraw/zinc/72/70/78/922727078.db2.gz FSCOLTSOSHLNDB-RDTXWAMCSA-N 2 1 379.426 3.518 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnn(CC4CCC4)c3)CC2)oc1C ZINC000903093980 922767675 /nfs/dbraw/zinc/76/76/75/922767675.db2.gz VULNSKJHGIQHFJ-QGZVFWFLSA-N 2 1 385.556 3.851 20 0 GHADMP O[C@H]1C[C@](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)(c2ccccc2)C1 ZINC000903271266 922897179 /nfs/dbraw/zinc/89/71/79/922897179.db2.gz LGBWCQHWYSKTRY-NPJMLQJUSA-N 2 1 376.544 3.722 20 0 GHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903740155 923242380 /nfs/dbraw/zinc/24/23/80/923242380.db2.gz SIKKHOQOGDQNFJ-UXHICEINSA-N 2 1 396.579 3.955 20 0 GHADMP CC(C)Cn1ccc2c1cccc2C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369326688 923279670 /nfs/dbraw/zinc/27/96/70/923279670.db2.gz KAZALBGCFSNOKP-FQEVSTJZSA-N 2 1 396.579 3.538 20 0 GHADMP CC(C)(C[NH3+])C1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000903790675 923297428 /nfs/dbraw/zinc/29/74/28/923297428.db2.gz UZJOICBEGCINEV-UHFFFAOYSA-N 2 1 386.565 3.521 20 0 GHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903958020 923437195 /nfs/dbraw/zinc/43/71/95/923437195.db2.gz VPYYKKVDGOWGKU-MRXNPFEDSA-N 2 1 382.886 3.536 20 0 GHADMP c1c2ccccc2[nH]c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001137317513 924557549 /nfs/dbraw/zinc/55/75/49/924557549.db2.gz JNMOZSWFFDNIKO-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000371483177 924606147 /nfs/dbraw/zinc/60/61/47/924606147.db2.gz UQKQHWSQSJIYLY-PKTZIBPZSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371483177 924606163 /nfs/dbraw/zinc/60/61/63/924606163.db2.gz UQKQHWSQSJIYLY-PKTZIBPZSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000371483177 924606170 /nfs/dbraw/zinc/60/61/70/924606170.db2.gz UQKQHWSQSJIYLY-PKTZIBPZSA-N 2 1 377.532 3.675 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1[nH]c(C)cc1C)CC2 ZINC001137324418 924678532 /nfs/dbraw/zinc/67/85/32/924678532.db2.gz RRVAKXPHJJORSG-NRFANRHFSA-N 2 1 382.552 3.530 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678258853 924692879 /nfs/dbraw/zinc/69/28/79/924692879.db2.gz PQGUYYBMVRKEJZ-HSZRJFAPSA-N 2 1 379.548 3.574 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258853 924692886 /nfs/dbraw/zinc/69/28/86/924692886.db2.gz PQGUYYBMVRKEJZ-HSZRJFAPSA-N 2 1 379.548 3.574 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678285994 924707310 /nfs/dbraw/zinc/70/73/10/924707310.db2.gz SMAUPDNLRMJABG-BWKNWUBXSA-N 2 1 392.591 3.912 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000678733685 924900289 /nfs/dbraw/zinc/90/02/89/924900289.db2.gz VKGBPJIZLAVZQV-IPJJNNNSSA-N 2 1 395.547 3.515 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927467 924975418 /nfs/dbraw/zinc/97/54/18/924975418.db2.gz JRQFYWSKUVLRBI-REWPJTCUSA-N 2 1 395.522 3.690 20 0 GHADMP C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000679711891 925242983 /nfs/dbraw/zinc/24/29/83/925242983.db2.gz CAHGFSUQJAKPBR-RRPUWOKSSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679711891 925242991 /nfs/dbraw/zinc/24/29/91/925242991.db2.gz CAHGFSUQJAKPBR-RRPUWOKSSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679711891 925242997 /nfs/dbraw/zinc/24/29/97/925242997.db2.gz CAHGFSUQJAKPBR-RRPUWOKSSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000679711892 925244618 /nfs/dbraw/zinc/24/46/18/925244618.db2.gz CAHGFSUQJAKPBR-WPYKKVEZSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679711892 925244620 /nfs/dbraw/zinc/24/46/20/925244620.db2.gz CAHGFSUQJAKPBR-WPYKKVEZSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679711892 925244625 /nfs/dbraw/zinc/24/46/25/925244625.db2.gz CAHGFSUQJAKPBR-WPYKKVEZSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000680271339 925418582 /nfs/dbraw/zinc/41/85/82/925418582.db2.gz WDTPEJBOZDACIK-DNVJHFABSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000410365231 925575756 /nfs/dbraw/zinc/57/57/56/925575756.db2.gz NCPVTZHYJUIAKI-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000410369573 925588566 /nfs/dbraw/zinc/58/85/66/925588566.db2.gz RKTYBQIECAUCED-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000410369573 925588568 /nfs/dbraw/zinc/58/85/68/925588568.db2.gz RKTYBQIECAUCED-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000410369573 925588571 /nfs/dbraw/zinc/58/85/71/925588571.db2.gz RKTYBQIECAUCED-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000410394209 925608903 /nfs/dbraw/zinc/60/89/03/925608903.db2.gz VWEYRUSBVHCBIA-JOCHJYFZSA-N 2 1 388.600 3.837 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccnc4Cl)CC3)C2)cc1 ZINC001137423959 925612118 /nfs/dbraw/zinc/61/21/18/925612118.db2.gz ZCVCVGGNSLMGEP-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc4ccccc4c3)CC2)CC1 ZINC000410402579 925612979 /nfs/dbraw/zinc/61/29/79/925612979.db2.gz BSMHCQWDDUAGSN-UHFFFAOYSA-N 2 1 380.580 3.863 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000373200971 925929623 /nfs/dbraw/zinc/92/96/23/925929623.db2.gz IEZAOVHSYFVBFI-SFHVURJKSA-N 2 1 394.441 3.554 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CCN1C ZINC000411335133 926310874 /nfs/dbraw/zinc/31/08/74/926310874.db2.gz QOCWYANCHFXDTN-KNQAVFIVSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000411335133 926310884 /nfs/dbraw/zinc/31/08/84/926310884.db2.gz QOCWYANCHFXDTN-KNQAVFIVSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000411335133 926310896 /nfs/dbraw/zinc/31/08/96/926310896.db2.gz QOCWYANCHFXDTN-KNQAVFIVSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000411335133 926310909 /nfs/dbraw/zinc/31/09/09/926310909.db2.gz QOCWYANCHFXDTN-KNQAVFIVSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000411335133 926310920 /nfs/dbraw/zinc/31/09/20/926310920.db2.gz QOCWYANCHFXDTN-KNQAVFIVSA-N 2 1 379.548 3.697 20 0 GHADMP CC(CC[NH+]1CCC[C@H](c2ncc[nH]2)C1)CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000411395195 926352273 /nfs/dbraw/zinc/35/22/73/926352273.db2.gz VHFBVCKZSSMKHE-PMACEKPBSA-N 2 1 384.572 3.608 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000411512031 926470416 /nfs/dbraw/zinc/47/04/16/926470416.db2.gz ADNJCTSKZLCDPL-HZPDHXFCSA-N 2 1 393.959 3.920 20 0 GHADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000749241224 927012156 /nfs/dbraw/zinc/01/21/56/927012156.db2.gz KEECIXLWWDNLNL-HSZRJFAPSA-N 2 1 398.595 3.810 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751082425 928019175 /nfs/dbraw/zinc/01/91/75/928019175.db2.gz QRUXIWYPEGMHTQ-IDJJCAIYSA-N 2 1 398.595 3.918 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000467374652 929011314 /nfs/dbraw/zinc/01/13/14/929011314.db2.gz ZKYHEYMZLMPNPB-LWSSLDFYSA-N 2 1 393.575 3.889 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000467374652 929011321 /nfs/dbraw/zinc/01/13/21/929011321.db2.gz ZKYHEYMZLMPNPB-LWSSLDFYSA-N 2 1 393.575 3.889 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000467523387 929155962 /nfs/dbraw/zinc/15/59/62/929155962.db2.gz UIYLEQNOMMTQNL-UHFFFAOYSA-N 2 1 375.520 3.852 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000467523387 929155966 /nfs/dbraw/zinc/15/59/66/929155966.db2.gz UIYLEQNOMMTQNL-UHFFFAOYSA-N 2 1 375.520 3.852 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2CCCc2ccc(Cl)c(Cl)c2)C1=O ZINC001276276681 929205973 /nfs/dbraw/zinc/20/59/73/929205973.db2.gz RJCGEJITHVCOMO-FQEVSTJZSA-N 2 1 398.378 3.555 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000753546993 929405199 /nfs/dbraw/zinc/40/51/99/929405199.db2.gz MPVCCGQEOFFIEO-QFIPXVFZSA-N 2 1 382.483 3.906 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000469521811 929963579 /nfs/dbraw/zinc/96/35/79/929963579.db2.gz IXYIKDPESUSGSA-WOJBJXKFSA-N 2 1 392.547 3.974 20 0 GHADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000469736597 930124344 /nfs/dbraw/zinc/12/43/44/930124344.db2.gz XCTXYNBISQPVEJ-SFHLNBCPSA-N 2 1 383.561 3.522 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000469736597 930124346 /nfs/dbraw/zinc/12/43/46/930124346.db2.gz XCTXYNBISQPVEJ-SFHLNBCPSA-N 2 1 383.561 3.522 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000469736597 930124347 /nfs/dbraw/zinc/12/43/47/930124347.db2.gz XCTXYNBISQPVEJ-SFHLNBCPSA-N 2 1 383.561 3.522 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000469736597 930124350 /nfs/dbraw/zinc/12/43/50/930124350.db2.gz XCTXYNBISQPVEJ-SFHLNBCPSA-N 2 1 383.561 3.522 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000469759608 930142800 /nfs/dbraw/zinc/14/28/00/930142800.db2.gz AXANLAXGEYERAQ-OALUTQOASA-N 2 1 391.559 3.860 20 0 GHADMP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc(Br)c1OC(F)F ZINC000470018315 930318643 /nfs/dbraw/zinc/31/86/43/930318643.db2.gz NLHIMDQWEDUELG-JTQLQIEISA-N 2 1 393.272 3.618 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CCN(c2cc[nH+]c(N4CCCCC4)n2)CC3)cc1 ZINC000546762431 930411500 /nfs/dbraw/zinc/41/15/00/930411500.db2.gz NEOVNEUVAOFAMK-UHFFFAOYSA-N 2 1 391.563 3.959 20 0 GHADMP c1ccc(C[N@H+]2CCC3(C2)CCN(c2cc[nH+]c(N4CCCCC4)n2)CC3)cc1 ZINC000546762431 930411513 /nfs/dbraw/zinc/41/15/13/930411513.db2.gz NEOVNEUVAOFAMK-UHFFFAOYSA-N 2 1 391.563 3.959 20 0 GHADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000470368027 930566128 /nfs/dbraw/zinc/56/61/28/930566128.db2.gz WBQQEIGGIUGWQI-UWJYYQICSA-N 2 1 399.966 3.931 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000470489013 930660528 /nfs/dbraw/zinc/66/05/28/930660528.db2.gz BDNWGWWLNNRFFR-NRFANRHFSA-N 2 1 388.600 3.801 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470597869 930740522 /nfs/dbraw/zinc/74/05/22/930740522.db2.gz HSNKYRDSTFEXMG-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470597869 930740525 /nfs/dbraw/zinc/74/05/25/930740525.db2.gz HSNKYRDSTFEXMG-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000781883800 931010640 /nfs/dbraw/zinc/01/06/40/931010640.db2.gz QHFKFVVNMQYOGQ-PMACEKPBSA-N 2 1 379.589 3.974 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511949 931084612 /nfs/dbraw/zinc/08/46/12/931084612.db2.gz KXAWIPFNDJDMBW-TUSQITKMSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511949 931084617 /nfs/dbraw/zinc/08/46/17/931084617.db2.gz KXAWIPFNDJDMBW-TUSQITKMSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@H](CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000471091422 931143719 /nfs/dbraw/zinc/14/37/19/931143719.db2.gz SMYKRYZLYIRZQF-CTNGQTDRSA-N 2 1 398.551 3.626 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000782948561 931372436 /nfs/dbraw/zinc/37/24/36/931372436.db2.gz LCQQYFVUWKDFJY-NQIIRXRSSA-N 2 1 385.552 3.505 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000782948561 931372444 /nfs/dbraw/zinc/37/24/44/931372444.db2.gz LCQQYFVUWKDFJY-NQIIRXRSSA-N 2 1 385.552 3.505 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000782948561 931372458 /nfs/dbraw/zinc/37/24/58/931372458.db2.gz LCQQYFVUWKDFJY-NQIIRXRSSA-N 2 1 385.552 3.505 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000924948626 931592841 /nfs/dbraw/zinc/59/28/41/931592841.db2.gz DYFADUOICGSJQE-PHAGKYIGSA-N 2 1 376.545 3.594 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3Cc3ccccn3)CC2)oc1C ZINC000925038858 931621201 /nfs/dbraw/zinc/62/12/01/931621201.db2.gz WMCRCPSARHETTI-RBBKRZOGSA-N 2 1 382.552 3.899 20 0 GHADMP CON1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925089505 931641107 /nfs/dbraw/zinc/64/11/07/931641107.db2.gz JZPDMNSFWOBXMT-APWZRJJASA-N 2 1 385.474 3.704 20 0 GHADMP CON1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925089505 931641114 /nfs/dbraw/zinc/64/11/14/931641114.db2.gz JZPDMNSFWOBXMT-APWZRJJASA-N 2 1 385.474 3.704 20 0 GHADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000925089474 931641378 /nfs/dbraw/zinc/64/13/78/931641378.db2.gz JVJTZECOFMJYSY-BIJSTVTOSA-N 2 1 397.485 3.735 20 0 GHADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000925089474 931641383 /nfs/dbraw/zinc/64/13/83/931641383.db2.gz JVJTZECOFMJYSY-BIJSTVTOSA-N 2 1 397.485 3.735 20 0 GHADMP CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925179479 931691984 /nfs/dbraw/zinc/69/19/84/931691984.db2.gz VNISHLAIQDAEFP-DTLGGHNDSA-N 2 1 383.580 3.809 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(Br)n3)C2)nc(C)[nH+]1 ZINC000925828401 931917398 /nfs/dbraw/zinc/91/73/98/931917398.db2.gz FYFSXZPKOOJKIV-HIFRSBDPSA-N 2 1 390.329 3.571 20 0 GHADMP O=C(Nc1ccccc1-c1cccs1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000925930048 931964010 /nfs/dbraw/zinc/96/40/10/931964010.db2.gz QMTWBQYVHYERRY-HDICACEKSA-N 2 1 396.560 3.848 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2)n(C)n1 ZINC000558409425 931986225 /nfs/dbraw/zinc/98/62/25/931986225.db2.gz PERYIVWUAQBJEY-PXNSSMCTSA-N 2 1 378.524 3.542 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(-c2ccncc2)ccc1OC ZINC000558419202 931992131 /nfs/dbraw/zinc/99/21/31/931992131.db2.gz KGEXOVDRUNJAAN-QHCPKHFHSA-N 2 1 396.579 3.605 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558476902 932025095 /nfs/dbraw/zinc/02/50/95/932025095.db2.gz ZJABLCYBJZJVES-NJRJFZHGSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000558476902 932025104 /nfs/dbraw/zinc/02/51/04/932025104.db2.gz ZJABLCYBJZJVES-NJRJFZHGSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000558476902 932025113 /nfs/dbraw/zinc/02/51/13/932025113.db2.gz ZJABLCYBJZJVES-NJRJFZHGSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558476902 932025121 /nfs/dbraw/zinc/02/51/21/932025121.db2.gz ZJABLCYBJZJVES-NJRJFZHGSA-N 2 1 383.580 3.618 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000796682457 932029885 /nfs/dbraw/zinc/02/98/85/932029885.db2.gz JSQAAGHBPSVDJD-YABDQXBESA-N 2 1 398.547 3.770 20 0 GHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCCc4[nH]ncc43)cc2)C[C@H]1C ZINC000796857114 932090163 /nfs/dbraw/zinc/09/01/63/932090163.db2.gz ZURPPVHYKIUEBX-JBYIUTFZSA-N 2 1 382.552 3.586 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000796887995 932098704 /nfs/dbraw/zinc/09/87/04/932098704.db2.gz JUUNXSSLVUYENA-QZWWFDLISA-N 2 1 376.850 3.552 20 0 GHADMP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)n1 ZINC000927051403 932391624 /nfs/dbraw/zinc/39/16/24/932391624.db2.gz FCTSAOLGANWOPB-SSTJLMRISA-N 2 1 380.536 3.911 20 0 GHADMP OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000927156566 932434877 /nfs/dbraw/zinc/43/48/77/932434877.db2.gz LJUWSCCHKXVYMG-CBQOMJJJSA-N 2 1 376.544 3.864 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312248 932591659 /nfs/dbraw/zinc/59/16/59/932591659.db2.gz RGTUGTVHSMOBGZ-PKTZIBPZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312248 932591668 /nfs/dbraw/zinc/59/16/68/932591668.db2.gz RGTUGTVHSMOBGZ-PKTZIBPZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312248 932591672 /nfs/dbraw/zinc/59/16/72/932591672.db2.gz RGTUGTVHSMOBGZ-PKTZIBPZSA-N 2 1 397.588 3.762 20 0 GHADMP CCCC[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395840 932627882 /nfs/dbraw/zinc/62/78/82/932627882.db2.gz KSHUVVGXMWZESB-OFNKIYASSA-N 2 1 398.551 3.982 20 0 GHADMP CCCC[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395840 932627887 /nfs/dbraw/zinc/62/78/87/932627887.db2.gz KSHUVVGXMWZESB-OFNKIYASSA-N 2 1 398.551 3.982 20 0 GHADMP O=C(C[NH+]1CCCCCCC1)Nc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000777663145 932749971 /nfs/dbraw/zinc/74/99/71/932749971.db2.gz AWZBDQOOHITWLE-YADHBBJMSA-N 2 1 384.568 3.930 20 0 GHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798935435 932822946 /nfs/dbraw/zinc/82/29/46/932822946.db2.gz ORBIXEKXOLZTDR-NTKDMRAZSA-N 2 1 395.547 3.914 20 0 GHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(OCc2cccnc2)c1 ZINC000798957397 932839660 /nfs/dbraw/zinc/83/96/60/932839660.db2.gz VOFHZOKZQVYZSB-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125412 932883119 /nfs/dbraw/zinc/88/31/19/932883119.db2.gz MYLICCZICHSFEP-HSZRJFAPSA-N 2 1 399.579 3.699 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125412 932883126 /nfs/dbraw/zinc/88/31/26/932883126.db2.gz MYLICCZICHSFEP-HSZRJFAPSA-N 2 1 399.579 3.699 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125412 932883130 /nfs/dbraw/zinc/88/31/30/932883130.db2.gz MYLICCZICHSFEP-HSZRJFAPSA-N 2 1 399.579 3.699 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000559842339 932899515 /nfs/dbraw/zinc/89/95/15/932899515.db2.gz MDTZAIPYJQNERZ-BHDDXSALSA-N 2 1 378.520 3.718 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000559842339 932899544 /nfs/dbraw/zinc/89/95/44/932899544.db2.gz MDTZAIPYJQNERZ-BHDDXSALSA-N 2 1 378.520 3.718 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)CC1 ZINC000799178514 932900497 /nfs/dbraw/zinc/90/04/97/932900497.db2.gz XXUQOIIJZNHGDL-JOCHJYFZSA-N 2 1 397.588 3.762 20 0 GHADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000799341283 932958458 /nfs/dbraw/zinc/95/84/58/932958458.db2.gz RSUOWMVVLUAGCG-KBAYOESNSA-N 2 1 378.442 3.819 20 0 GHADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000799341283 932958464 /nfs/dbraw/zinc/95/84/64/932958464.db2.gz RSUOWMVVLUAGCG-KBAYOESNSA-N 2 1 378.442 3.819 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3cccc(F)c3)cc2)C[C@H](C)O1 ZINC000559985695 933000315 /nfs/dbraw/zinc/00/03/15/933000315.db2.gz ARIHLZPSKVKRFW-HDICACEKSA-N 2 1 399.510 3.553 20 0 GHADMP Cc1ccc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(OCC[NH+](C)C)c1 ZINC000777694440 933019541 /nfs/dbraw/zinc/01/95/41/933019541.db2.gz CHLWIHOJWMKRRR-YKSBVNFPSA-N 2 1 397.563 3.637 20 0 GHADMP Cc1ccc(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(OCC[NH+](C)C)c1 ZINC000777694440 933019544 /nfs/dbraw/zinc/01/95/44/933019544.db2.gz CHLWIHOJWMKRRR-YKSBVNFPSA-N 2 1 397.563 3.637 20 0 GHADMP CCn1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000560535731 933321464 /nfs/dbraw/zinc/32/14/64/933321464.db2.gz DZVVOFZHVPQJGI-YTFSRNRJSA-N 2 1 379.548 3.649 20 0 GHADMP C[NH+](Cc1ccccc1C[N@H+](C)C1CCC(CO)CC1)C1CCC(CO)CC1 ZINC001116418509 933548029 /nfs/dbraw/zinc/54/80/29/933548029.db2.gz XIBJJPXJCQBEGI-UHFFFAOYSA-N 2 1 388.596 3.652 20 0 GHADMP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001116920430 933828767 /nfs/dbraw/zinc/82/87/67/933828767.db2.gz CDMGZCJBIVUJBS-QHCPKHFHSA-N 2 1 379.548 3.610 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]([NH+]4CCCC4)[C@H]3C)c2c1C ZINC000561434185 934156624 /nfs/dbraw/zinc/15/66/24/934156624.db2.gz CZTNUILGTZXQOY-SJLPKXTDSA-N 2 1 399.608 3.967 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H](C)C1=CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000561651040 934337652 /nfs/dbraw/zinc/33/76/52/934337652.db2.gz FAXQOCQOWLKCTM-OXQOHEQNSA-N 2 1 392.975 3.673 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000561651040 934337662 /nfs/dbraw/zinc/33/76/62/934337662.db2.gz FAXQOCQOWLKCTM-OXQOHEQNSA-N 2 1 392.975 3.673 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000561651040 934337672 /nfs/dbraw/zinc/33/76/72/934337672.db2.gz FAXQOCQOWLKCTM-OXQOHEQNSA-N 2 1 392.975 3.673 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@@H]1c1ccc(F)cc1 ZINC001119501797 934361145 /nfs/dbraw/zinc/36/11/45/934361145.db2.gz GOBMBLVOMQAXJR-PMVMPFDFSA-N 2 1 395.522 3.810 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@@H]1c1ccc(F)cc1 ZINC001119501797 934361154 /nfs/dbraw/zinc/36/11/54/934361154.db2.gz GOBMBLVOMQAXJR-PMVMPFDFSA-N 2 1 395.522 3.810 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@@H]1c1ccc(F)cc1 ZINC001119501797 934361163 /nfs/dbraw/zinc/36/11/63/934361163.db2.gz GOBMBLVOMQAXJR-PMVMPFDFSA-N 2 1 395.522 3.810 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@@H]1c1ccc(F)cc1 ZINC001119501797 934361174 /nfs/dbraw/zinc/36/11/74/934361174.db2.gz GOBMBLVOMQAXJR-PMVMPFDFSA-N 2 1 395.522 3.810 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c2ncccc12 ZINC000931749873 934707080 /nfs/dbraw/zinc/70/70/80/934707080.db2.gz WKQQUHZUWOXTBL-UHFFFAOYSA-N 2 1 378.476 3.741 20 0 GHADMP O=C1O[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CN1C1CCCCC1 ZINC000828443377 935633163 /nfs/dbraw/zinc/63/31/63/935633163.db2.gz FBHXCCCFOHPVSZ-FQEVSTJZSA-N 2 1 386.540 3.552 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)c1)C1CC1 ZINC001137891905 935849995 /nfs/dbraw/zinc/84/99/95/935849995.db2.gz IRZPULBZKNQHHX-PKTZIBPZSA-N 2 1 377.532 3.607 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1)C1CC1 ZINC001137891905 935849998 /nfs/dbraw/zinc/84/99/98/935849998.db2.gz IRZPULBZKNQHHX-PKTZIBPZSA-N 2 1 377.532 3.607 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1)C1CC1 ZINC001137891905 935850002 /nfs/dbraw/zinc/85/00/02/935850002.db2.gz IRZPULBZKNQHHX-PKTZIBPZSA-N 2 1 377.532 3.607 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C(C)(C)O)cc3)CC2)cs1 ZINC000830249727 935921307 /nfs/dbraw/zinc/92/13/07/935921307.db2.gz RMHWSPNYKXKJLR-UHFFFAOYSA-N 2 1 387.593 3.935 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531061538 1014546428 /nfs/dbraw/zinc/54/64/28/1014546428.db2.gz WWBCZZILDWKVCM-VQIMIIECSA-N 2 1 399.501 3.889 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468020497 1015153815 /nfs/dbraw/zinc/15/38/15/1015153815.db2.gz FVEKADAEHVHKMR-UZKOGDIHSA-N 2 1 386.584 3.630 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000468122941 1015299690 /nfs/dbraw/zinc/29/96/90/1015299690.db2.gz YQLUGIRGVNOQRB-FDDCHVKYSA-N 2 1 386.499 3.812 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000468425510 1015696514 /nfs/dbraw/zinc/69/65/14/1015696514.db2.gz APJBBLNAQZKPHB-FQEVSTJZSA-N 2 1 388.600 3.792 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000470492610 1016798325 /nfs/dbraw/zinc/79/83/25/1016798325.db2.gz PCSQDXKKZZDLPR-LJQANCHMSA-N 2 1 394.629 3.768 20 0 GHADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470753115 1016881624 /nfs/dbraw/zinc/88/16/24/1016881624.db2.gz CZGUYYSNHAXTGO-DHIUTWEWSA-N 2 1 394.563 3.595 20 0 GHADMP CC[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001221068882 1032264958 /nfs/dbraw/zinc/26/49/58/1032264958.db2.gz HTSQGGMWMPSFJO-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001221202114 1032328342 /nfs/dbraw/zinc/32/83/42/1032328342.db2.gz SLPDOWYDGKEXLK-VXKWHMMOSA-N 2 1 399.510 3.630 20 0 GHADMP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001221202114 1032328352 /nfs/dbraw/zinc/32/83/52/1032328352.db2.gz SLPDOWYDGKEXLK-VXKWHMMOSA-N 2 1 399.510 3.630 20 0 GHADMP Cc1cccc(NCCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)[nH+]1 ZINC001221297282 1032366004 /nfs/dbraw/zinc/36/60/04/1032366004.db2.gz KGQPVAMCTVWVRQ-NRFANRHFSA-N 2 1 395.551 3.574 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001221537094 1032452746 /nfs/dbraw/zinc/45/27/46/1032452746.db2.gz INOAVTDGALTRKG-OIBXWCBGSA-N 2 1 394.563 3.560 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[NH+](C)C)cc1 ZINC001221537646 1032453413 /nfs/dbraw/zinc/45/34/13/1032453413.db2.gz PAVJRLHUAGZRLV-PTUXOGIPSA-N 2 1 394.563 3.560 20 0 GHADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncc1Cl ZINC001155358023 1032517293 /nfs/dbraw/zinc/51/72/93/1032517293.db2.gz MNWBGDWTSFCSJD-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP CC(C)(C)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nn1 ZINC001155362497 1032518783 /nfs/dbraw/zinc/51/87/83/1032518783.db2.gz SJYKQVPAVFKWDI-HXUWFJFHSA-N 2 1 393.579 3.688 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cc(C4CCC4)ncn3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155362517 1032520217 /nfs/dbraw/zinc/52/02/17/1032520217.db2.gz SRMAZQGETRKAEY-OAQYLSRUSA-N 2 1 391.563 3.658 20 0 GHADMP c1nc2c(ccnc2NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)s1 ZINC001155363216 1032520324 /nfs/dbraw/zinc/52/03/24/1032520324.db2.gz JIQVXEJMBBSXSL-SFHVURJKSA-N 2 1 393.560 3.605 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001204171750 1032623996 /nfs/dbraw/zinc/62/39/96/1032623996.db2.gz MRXLLFHNCRHJGE-FQEVSTJZSA-N 2 1 385.577 3.955 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001204171750 1032624005 /nfs/dbraw/zinc/62/40/05/1032624005.db2.gz MRXLLFHNCRHJGE-FQEVSTJZSA-N 2 1 385.577 3.955 20 0 GHADMP CCS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000926908914 1017323943 /nfs/dbraw/zinc/32/39/43/1017323943.db2.gz LYXJIKINAGIGSX-NQIIRXRSSA-N 2 1 392.609 3.655 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001204269891 1032713644 /nfs/dbraw/zinc/71/36/44/1032713644.db2.gz LRVOKKWWHJZSAI-DEOSSOPVSA-N 3 1 395.591 3.971 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001204269891 1032713658 /nfs/dbraw/zinc/71/36/58/1032713658.db2.gz LRVOKKWWHJZSAI-DEOSSOPVSA-N 3 1 395.591 3.971 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001204269891 1032713671 /nfs/dbraw/zinc/71/36/71/1032713671.db2.gz LRVOKKWWHJZSAI-DEOSSOPVSA-N 3 1 395.591 3.971 20 0 GHADMP CN(Cc1ccc(OCCC[NH+](C)C)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204269891 1032713678 /nfs/dbraw/zinc/71/36/78/1032713678.db2.gz LRVOKKWWHJZSAI-DEOSSOPVSA-N 2 1 395.591 3.971 20 0 GHADMP CN(Cc1ccc(OCCC[NH+](C)C)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204269891 1032713690 /nfs/dbraw/zinc/71/36/90/1032713690.db2.gz LRVOKKWWHJZSAI-DEOSSOPVSA-N 2 1 395.591 3.971 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001227962783 1032717751 /nfs/dbraw/zinc/71/77/51/1032717751.db2.gz QYKFQYQBCNHJCM-NZQKXSOJSA-N 2 1 394.563 3.514 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000560928871 1017753857 /nfs/dbraw/zinc/75/38/57/1017753857.db2.gz UNSTZLNVJHZFNK-KRWDZBQOSA-N 2 1 394.401 3.733 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)n2)cc1 ZINC000562838931 1018697609 /nfs/dbraw/zinc/69/76/09/1018697609.db2.gz SMIFQSOJSFJFEX-CTNGQTDRSA-N 2 1 384.524 3.578 20 0 GHADMP COCCCn1nccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000563978036 1018991358 /nfs/dbraw/zinc/99/13/58/1018991358.db2.gz UKTSZPMZVPHCSC-BGYRXZFFSA-N 2 1 384.568 3.687 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc2cccnc12 ZINC000564377443 1019063584 /nfs/dbraw/zinc/06/35/84/1019063584.db2.gz KSSJDWVVFPPLJS-BGYRXZFFSA-N 2 1 397.563 3.633 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc2cccnc12 ZINC000564377443 1019063598 /nfs/dbraw/zinc/06/35/98/1019063598.db2.gz KSSJDWVVFPPLJS-BGYRXZFFSA-N 2 1 397.563 3.633 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001155997562 1032830588 /nfs/dbraw/zinc/83/05/88/1032830588.db2.gz GCDQAPFHKJYQQI-ISKFKSNPSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001155997562 1032830606 /nfs/dbraw/zinc/83/06/06/1032830606.db2.gz GCDQAPFHKJYQQI-ISKFKSNPSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001155997562 1032830619 /nfs/dbraw/zinc/83/06/19/1032830619.db2.gz GCDQAPFHKJYQQI-ISKFKSNPSA-N 2 1 397.607 3.854 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000569352590 1019479719 /nfs/dbraw/zinc/47/97/19/1019479719.db2.gz WASVATHCEYJYIX-ZVDOUQERSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000569352590 1019479728 /nfs/dbraw/zinc/47/97/28/1019479728.db2.gz WASVATHCEYJYIX-ZVDOUQERSA-N 2 1 388.577 3.777 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001204415164 1032843773 /nfs/dbraw/zinc/84/37/73/1032843773.db2.gz XBQFTPDWDZAULC-ICSRJNTNSA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001204415164 1032843786 /nfs/dbraw/zinc/84/37/86/1032843786.db2.gz XBQFTPDWDZAULC-ICSRJNTNSA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001204415164 1032843803 /nfs/dbraw/zinc/84/38/03/1032843803.db2.gz XBQFTPDWDZAULC-ICSRJNTNSA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001204415164 1032843824 /nfs/dbraw/zinc/84/38/24/1032843824.db2.gz XBQFTPDWDZAULC-ICSRJNTNSA-N 2 1 398.469 3.766 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000575333272 1019933571 /nfs/dbraw/zinc/93/35/71/1019933571.db2.gz FLJNCRZWPMXVBE-AUSIDOKSSA-N 2 1 377.532 3.848 20 0 GHADMP c1csc([C@@H]2C[NH2+]CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001156097007 1032875678 /nfs/dbraw/zinc/87/56/78/1032875678.db2.gz DZTQKZQTGBIUEE-NRFANRHFSA-N 2 1 390.556 3.852 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000600970231 1020289044 /nfs/dbraw/zinc/28/90/44/1020289044.db2.gz QXAHHVAGGDAYCN-IBGZPJMESA-N 2 1 397.485 3.613 20 0 GHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000600970231 1020289056 /nfs/dbraw/zinc/28/90/56/1020289056.db2.gz QXAHHVAGGDAYCN-IBGZPJMESA-N 2 1 397.485 3.613 20 0 GHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000600970231 1020289069 /nfs/dbraw/zinc/28/90/69/1020289069.db2.gz QXAHHVAGGDAYCN-IBGZPJMESA-N 2 1 397.485 3.613 20 0 GHADMP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1O ZINC000578175046 1020339958 /nfs/dbraw/zinc/33/99/58/1020339958.db2.gz XTMAVMZOXFHPAR-YPGOJHLTSA-N 2 1 384.520 3.656 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000779440935 1020791230 /nfs/dbraw/zinc/79/12/30/1020791230.db2.gz RXRQHDUDKDAHKP-KJJMTIBFSA-N 2 1 387.568 3.932 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000834588651 1021287510 /nfs/dbraw/zinc/28/75/10/1021287510.db2.gz DLKDLMCOIOKEKM-YSTOQKLRSA-N 2 1 397.604 3.501 20 0 GHADMP COc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1F ZINC001204557057 1032970641 /nfs/dbraw/zinc/97/06/41/1032970641.db2.gz FABRZFJKRKIMRI-SFHVURJKSA-N 2 1 388.483 3.683 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)C[NH+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140389877 1021546074 /nfs/dbraw/zinc/54/60/74/1021546074.db2.gz DDJCULZNHRNDMG-OAQYLSRUSA-N 2 1 387.955 3.971 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)C[NH+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140389877 1021546096 /nfs/dbraw/zinc/54/60/96/1021546096.db2.gz DDJCULZNHRNDMG-OAQYLSRUSA-N 2 1 387.955 3.971 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140389877 1021546103 /nfs/dbraw/zinc/54/61/03/1021546103.db2.gz DDJCULZNHRNDMG-OAQYLSRUSA-N 2 1 387.955 3.971 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140389877 1021546116 /nfs/dbraw/zinc/54/61/16/1021546116.db2.gz DDJCULZNHRNDMG-OAQYLSRUSA-N 2 1 387.955 3.971 20 0 GHADMP COC(=O)c1cnc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000903454564 1021603768 /nfs/dbraw/zinc/60/37/68/1021603768.db2.gz DAOMXTIWQITYPX-WZGPROSRSA-N 2 1 399.560 3.881 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1OCC1CC1 ZINC001140493446 1021838775 /nfs/dbraw/zinc/83/87/75/1021838775.db2.gz YRJXOEAFRFBABN-UHFFFAOYSA-N 2 1 381.520 3.926 20 0 GHADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000678775526 1021925319 /nfs/dbraw/zinc/92/53/19/1021925319.db2.gz UWEAOQNQPOFNAM-HBMCJLEFSA-N 3 1 387.612 3.516 20 0 GHADMP CC(C[NH+]1CC[C@H](Cc2ccncc2)C1)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680888965 1022241439 /nfs/dbraw/zinc/24/14/39/1022241439.db2.gz MMZSOLWFGVGETN-DNQXCXABSA-N 2 1 378.564 3.542 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801476 1022570241 /nfs/dbraw/zinc/57/02/41/1022570241.db2.gz OVKAQCQZTDQQDE-RXVVDRJESA-N 2 1 388.487 3.734 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801476 1022570252 /nfs/dbraw/zinc/57/02/52/1022570252.db2.gz OVKAQCQZTDQQDE-RXVVDRJESA-N 2 1 388.487 3.734 20 0 GHADMP O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140803460 1022574478 /nfs/dbraw/zinc/57/44/78/1022574478.db2.gz QUGZWKJKOXCYSZ-XMMPIXPASA-N 2 1 388.515 3.620 20 0 GHADMP O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140803460 1022574480 /nfs/dbraw/zinc/57/44/80/1022574480.db2.gz QUGZWKJKOXCYSZ-XMMPIXPASA-N 2 1 388.515 3.620 20 0 GHADMP C[C@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC001204756382 1033068445 /nfs/dbraw/zinc/06/84/45/1033068445.db2.gz KFTAGOZKYLJLPI-LJQANCHMSA-N 2 1 387.518 3.818 20 0 GHADMP C[C@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC001204756382 1033068461 /nfs/dbraw/zinc/06/84/61/1033068461.db2.gz KFTAGOZKYLJLPI-LJQANCHMSA-N 2 1 387.518 3.818 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1[nH]cc(C)c1C)CC2 ZINC001140860933 1022722870 /nfs/dbraw/zinc/72/28/70/1022722870.db2.gz YVLTZWNKVGGODS-OAQYLSRUSA-N 2 1 382.552 3.530 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccn4ccnc4c2)CC3)c1 ZINC001141044034 1023374473 /nfs/dbraw/zinc/37/44/73/1023374473.db2.gz UZZRJWBAAULVIW-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(c2ccc(F)c(F)c2)CC1 ZINC001204878050 1033140054 /nfs/dbraw/zinc/14/00/54/1033140054.db2.gz VGGIXXDPHHTSSC-UHFFFAOYSA-N 2 1 392.519 3.519 20 0 GHADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3OC(F)(F)F)C[C@H]21 ZINC001204918876 1033165872 /nfs/dbraw/zinc/16/58/72/1033165872.db2.gz OKSYIRHLIGWOQH-LDLYASANSA-N 2 1 392.421 3.801 20 0 GHADMP CCOC(=O)c1ncc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001204938310 1033175761 /nfs/dbraw/zinc/17/57/61/1033175761.db2.gz QFAYWCGMCGYFSL-DFQSSKMNSA-N 2 1 399.560 3.710 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001204938310 1033175770 /nfs/dbraw/zinc/17/57/70/1033175770.db2.gz QFAYWCGMCGYFSL-DFQSSKMNSA-N 2 1 399.560 3.710 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001204938310 1033175775 /nfs/dbraw/zinc/17/57/75/1033175775.db2.gz QFAYWCGMCGYFSL-DFQSSKMNSA-N 2 1 399.560 3.710 20 0 GHADMP COc1ccc2nccc(CN3CCC[C@@]4(C3)COCC[N@H+](C(C)C)C4)c2c1 ZINC001141149003 1023971840 /nfs/dbraw/zinc/97/18/40/1023971840.db2.gz YTVMCEWJAQJGFT-QHCPKHFHSA-N 2 1 383.536 3.566 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(-c5ncccn5)cc4)C[C@H]3C2)c1 ZINC001141186420 1024043378 /nfs/dbraw/zinc/04/33/78/1024043378.db2.gz UOLQDZPZUZMXJT-PMACEKPBSA-N 2 1 376.529 3.769 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c(F)c1 ZINC001141195079 1024088578 /nfs/dbraw/zinc/08/85/78/1024088578.db2.gz ZOKCQQRDIMCHPD-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC001141269340 1024348277 /nfs/dbraw/zinc/34/82/77/1024348277.db2.gz DDYZFXGPZHDORX-UHFFFAOYSA-N 2 1 379.548 3.575 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000831164334 1024396071 /nfs/dbraw/zinc/39/60/71/1024396071.db2.gz CCPVWPZYCISZDV-AMYLDRNJSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000831164334 1024396090 /nfs/dbraw/zinc/39/60/90/1024396090.db2.gz CCPVWPZYCISZDV-AMYLDRNJSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000831164334 1024396110 /nfs/dbraw/zinc/39/61/10/1024396110.db2.gz CCPVWPZYCISZDV-AMYLDRNJSA-N 2 1 392.628 3.798 20 0 GHADMP FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001205026705 1033218125 /nfs/dbraw/zinc/21/81/25/1033218125.db2.gz XTNUFYMTBICZBZ-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC001205026705 1033218131 /nfs/dbraw/zinc/21/81/31/1033218131.db2.gz XTNUFYMTBICZBZ-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP COc1c(C)cc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C ZINC001138430205 1024827815 /nfs/dbraw/zinc/82/78/15/1024827815.db2.gz YSLBKGQWZTURTC-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1c(C)cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1C ZINC001138430205 1024827833 /nfs/dbraw/zinc/82/78/33/1024827833.db2.gz YSLBKGQWZTURTC-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1c(C)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1C ZINC001138430205 1024827856 /nfs/dbraw/zinc/82/78/56/1024827856.db2.gz YSLBKGQWZTURTC-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1C ZINC001138430205 1024827873 /nfs/dbraw/zinc/82/78/73/1024827873.db2.gz YSLBKGQWZTURTC-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C ZINC001138430205 1024827892 /nfs/dbraw/zinc/82/78/92/1024827892.db2.gz YSLBKGQWZTURTC-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001138486375 1024917815 /nfs/dbraw/zinc/91/78/15/1024917815.db2.gz PUFYDABFWJYEGZ-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1 ZINC001138548586 1024996019 /nfs/dbraw/zinc/99/60/19/1024996019.db2.gz DNRGZCFSEBNRNM-FPOVZHCZSA-N 2 1 393.560 3.734 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)cc1 ZINC001138548586 1024996021 /nfs/dbraw/zinc/99/60/21/1024996021.db2.gz DNRGZCFSEBNRNM-FPOVZHCZSA-N 2 1 393.560 3.734 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC2)NC(=O)Nc2ccccc23)cc1 ZINC001138548553 1024996287 /nfs/dbraw/zinc/99/62/87/1024996287.db2.gz IBSKZXOXNFFOKY-UHFFFAOYSA-N 2 1 387.487 3.807 20 0 GHADMP CCCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138637560 1025145077 /nfs/dbraw/zinc/14/50/77/1025145077.db2.gz BEZVTCPVHRSRBC-AJSBUHFISA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138637560 1025145084 /nfs/dbraw/zinc/14/50/84/1025145084.db2.gz BEZVTCPVHRSRBC-AJSBUHFISA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138637560 1025145089 /nfs/dbraw/zinc/14/50/89/1025145089.db2.gz BEZVTCPVHRSRBC-AJSBUHFISA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138637560 1025145094 /nfs/dbraw/zinc/14/50/94/1025145094.db2.gz BEZVTCPVHRSRBC-AJSBUHFISA-N 2 1 381.568 3.729 20 0 GHADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138644098 1025153253 /nfs/dbraw/zinc/15/32/53/1025153253.db2.gz IYUWTQYGTWRFNZ-PMOQBDJRSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138644098 1025153262 /nfs/dbraw/zinc/15/32/62/1025153262.db2.gz IYUWTQYGTWRFNZ-PMOQBDJRSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138644098 1025153271 /nfs/dbraw/zinc/15/32/71/1025153271.db2.gz IYUWTQYGTWRFNZ-PMOQBDJRSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138644098 1025153280 /nfs/dbraw/zinc/15/32/80/1025153280.db2.gz IYUWTQYGTWRFNZ-PMOQBDJRSA-N 2 1 381.568 3.647 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1Sc1ccccc1 ZINC000838950398 1025468002 /nfs/dbraw/zinc/46/80/02/1025468002.db2.gz NJQIYWCOIHNUTO-BDKRGJGYSA-N 2 1 390.593 3.558 20 0 GHADMP Clc1ccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c[nH]c2c1 ZINC001141582212 1025701993 /nfs/dbraw/zinc/70/19/93/1025701993.db2.gz HVKJDCXOCIKMND-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]3C2)cc1 ZINC001139080903 1025897002 /nfs/dbraw/zinc/89/70/02/1025897002.db2.gz NIVIWXZKSSCQOD-VXKWHMMOSA-N 2 1 386.499 3.833 20 0 GHADMP Cc1[nH]c2ccc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2[nH+]1 ZINC001162935289 1025972184 /nfs/dbraw/zinc/97/21/84/1025972184.db2.gz QZYPHYRFYHOLLI-HXUWFJFHSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1nc2cc(NC[C@@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc2[nH]1 ZINC001162935289 1025972191 /nfs/dbraw/zinc/97/21/91/1025972191.db2.gz QZYPHYRFYHOLLI-HXUWFJFHSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1nc2cc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc2[nH]1 ZINC001162935289 1025972197 /nfs/dbraw/zinc/97/21/97/1025972197.db2.gz QZYPHYRFYHOLLI-HXUWFJFHSA-N 2 1 389.547 3.785 20 0 GHADMP CC(C)Oc1cccnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941164 1025977534 /nfs/dbraw/zinc/97/75/34/1025977534.db2.gz GJZGVWNWMWHNIA-OAQYLSRUSA-N 2 1 394.563 3.783 20 0 GHADMP c1noc2c1cccc2NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941244 1025977824 /nfs/dbraw/zinc/97/78/24/1025977824.db2.gz SNRQSULGNYBQHZ-FQEVSTJZSA-N 2 1 376.504 3.742 20 0 GHADMP COc1cccc(C)c1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941696 1025978513 /nfs/dbraw/zinc/97/85/13/1025978513.db2.gz ZOZAIKFQLXTSKR-NRFANRHFSA-N 2 1 379.548 3.917 20 0 GHADMP CCc1cc(NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)nc(C)[nH+]1 ZINC001162948217 1025980973 /nfs/dbraw/zinc/98/09/73/1025980973.db2.gz BQFGDCUTCKNDSC-HDICACEKSA-N 2 1 382.552 3.969 20 0 GHADMP CCc1cc(NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nc(C)[nH+]1 ZINC001162948217 1025980976 /nfs/dbraw/zinc/98/09/76/1025980976.db2.gz BQFGDCUTCKNDSC-HDICACEKSA-N 2 1 382.552 3.969 20 0 GHADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001139172559 1025998166 /nfs/dbraw/zinc/99/81/66/1025998166.db2.gz RPFKGDREDSLBQX-BJKOFHAPSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000839525087 1026008671 /nfs/dbraw/zinc/00/86/71/1026008671.db2.gz NZHXDTJXKXFQJA-BJLQDIEVSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000839525087 1026008684 /nfs/dbraw/zinc/00/86/84/1026008684.db2.gz NZHXDTJXKXFQJA-BJLQDIEVSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000839525087 1026008701 /nfs/dbraw/zinc/00/87/01/1026008701.db2.gz NZHXDTJXKXFQJA-BJLQDIEVSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000839525087 1026008721 /nfs/dbraw/zinc/00/87/21/1026008721.db2.gz NZHXDTJXKXFQJA-BJLQDIEVSA-N 2 1 377.573 3.582 20 0 GHADMP c1cn(Cc2ccccc2)c2c1cc[nH+]c2NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163277482 1026121211 /nfs/dbraw/zinc/12/12/11/1026121211.db2.gz GPDOAPFERVLBMW-WMZHIEFXSA-N 2 1 376.504 3.655 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1Oc1ccc(F)cc1 ZINC001139299125 1026152495 /nfs/dbraw/zinc/15/24/95/1026152495.db2.gz PKITXKSBSDEHEH-FCHUYYIVSA-N 2 1 383.511 3.828 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cn2)C[C@@H](C)O1 ZINC001139386511 1026253679 /nfs/dbraw/zinc/25/36/79/1026253679.db2.gz ZRKVHGAKEFRJNI-KRXUUXHPSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cn2)C[C@@H](C)O1 ZINC001139386511 1026253693 /nfs/dbraw/zinc/25/36/93/1026253693.db2.gz ZRKVHGAKEFRJNI-KRXUUXHPSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cn2)C[C@@H](C)O1 ZINC001139386511 1026253707 /nfs/dbraw/zinc/25/37/07/1026253707.db2.gz ZRKVHGAKEFRJNI-KRXUUXHPSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cn2)C[C@@H](C)O1 ZINC001139386511 1026253720 /nfs/dbraw/zinc/25/37/20/1026253720.db2.gz ZRKVHGAKEFRJNI-KRXUUXHPSA-N 2 1 386.584 3.534 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC001141722258 1026339576 /nfs/dbraw/zinc/33/95/76/1026339576.db2.gz WDRCDDUCTUEOCU-ZRCGQRJVSA-N 2 1 385.596 3.903 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC001141722258 1026339590 /nfs/dbraw/zinc/33/95/90/1026339590.db2.gz WDRCDDUCTUEOCU-ZRCGQRJVSA-N 2 1 385.596 3.903 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC001141722258 1026339602 /nfs/dbraw/zinc/33/96/02/1026339602.db2.gz WDRCDDUCTUEOCU-ZRCGQRJVSA-N 2 1 385.596 3.903 20 0 GHADMP CC[C@H]1COCC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513163 1026367868 /nfs/dbraw/zinc/36/78/68/1026367868.db2.gz NOYUFXAYYLWMHP-QHCPKHFHSA-N 2 1 379.548 3.620 20 0 GHADMP CC[C@H]1COCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513163 1026367877 /nfs/dbraw/zinc/36/78/77/1026367877.db2.gz NOYUFXAYYLWMHP-QHCPKHFHSA-N 2 1 379.548 3.620 20 0 GHADMP CC[C@@H]1COCC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513162 1026368510 /nfs/dbraw/zinc/36/85/10/1026368510.db2.gz NOYUFXAYYLWMHP-HSZRJFAPSA-N 2 1 379.548 3.620 20 0 GHADMP CC[C@@H]1COCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513162 1026368515 /nfs/dbraw/zinc/36/85/15/1026368515.db2.gz NOYUFXAYYLWMHP-HSZRJFAPSA-N 2 1 379.548 3.620 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC[C@H]1O ZINC001139514880 1026371746 /nfs/dbraw/zinc/37/17/46/1026371746.db2.gz VTDPOUTUFJNOAG-SQJMNOBHSA-N 2 1 393.575 3.602 20 0 GHADMP COC[C@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139514540 1026371984 /nfs/dbraw/zinc/37/19/84/1026371984.db2.gz KAWVDHDMHVDUDJ-HSZRJFAPSA-N 2 1 379.548 3.620 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139516232 1026372859 /nfs/dbraw/zinc/37/28/59/1026372859.db2.gz AUVVTDMHPRSZIP-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139516232 1026372867 /nfs/dbraw/zinc/37/28/67/1026372867.db2.gz AUVVTDMHPRSZIP-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139516232 1026372871 /nfs/dbraw/zinc/37/28/71/1026372871.db2.gz AUVVTDMHPRSZIP-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139516232 1026372876 /nfs/dbraw/zinc/37/28/76/1026372876.db2.gz AUVVTDMHPRSZIP-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cccc(Cl)n1)CC2 ZINC001139548611 1026411981 /nfs/dbraw/zinc/41/19/81/1026411981.db2.gz LJRKYKISEVYUPS-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001139548611 1026411982 /nfs/dbraw/zinc/41/19/82/1026411982.db2.gz LJRKYKISEVYUPS-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001139548611 1026411986 /nfs/dbraw/zinc/41/19/86/1026411986.db2.gz LJRKYKISEVYUPS-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP Cc1cc(N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164199983 1026449132 /nfs/dbraw/zinc/44/91/32/1026449132.db2.gz YVFNMYBRRSNUPG-UHFFFAOYSA-N 2 1 388.519 3.568 20 0 GHADMP C[NH+](C)C1(CNc2ccc(-c3nnc(-c4ccccc4)o3)cc2)CC[NH+](C)CC1 ZINC001164212733 1026454628 /nfs/dbraw/zinc/45/46/28/1026454628.db2.gz AELNPZJZJUMAKW-UHFFFAOYSA-N 2 1 391.519 3.842 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2[nH]nc3ccc(Br)cc32)CC1 ZINC001139659412 1026518184 /nfs/dbraw/zinc/51/81/84/1026518184.db2.gz PWVHYYAHTZLEES-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2n[nH]c3ccc(Br)cc32)CC1 ZINC001139659412 1026518193 /nfs/dbraw/zinc/51/81/93/1026518193.db2.gz PWVHYYAHTZLEES-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2n[nH]c3ccc(Br)cc32)CC1 ZINC001139659412 1026518206 /nfs/dbraw/zinc/51/82/06/1026518206.db2.gz PWVHYYAHTZLEES-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP Cn1c(=O)cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c2ccccc21 ZINC001139757533 1026596804 /nfs/dbraw/zinc/59/68/04/1026596804.db2.gz LQUOLIBHMYPCDH-UHFFFAOYSA-N 2 1 391.515 3.620 20 0 GHADMP CN(CC[NH+]1CCCC1)c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165142347 1026632288 /nfs/dbraw/zinc/63/22/88/1026632288.db2.gz ZUFYNFMYIHQTKW-UHFFFAOYSA-N 2 1 399.608 3.698 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)c5ccccc45)C[C@@H]3C2)cn1 ZINC001139890789 1026706774 /nfs/dbraw/zinc/70/67/74/1026706774.db2.gz XKZQUXNHPYBCKM-QUCCMNQESA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)c5ccccc45)C[C@@H]3C2)cn1 ZINC001139890789 1026706779 /nfs/dbraw/zinc/70/67/79/1026706779.db2.gz XKZQUXNHPYBCKM-QUCCMNQESA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(F)c5ccccc45)C[C@@H]3C2)cn1 ZINC001139890789 1026706789 /nfs/dbraw/zinc/70/67/89/1026706789.db2.gz XKZQUXNHPYBCKM-QUCCMNQESA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(F)c5ccccc45)C[C@@H]3C2)cn1 ZINC001139890789 1026706798 /nfs/dbraw/zinc/70/67/98/1026706798.db2.gz XKZQUXNHPYBCKM-QUCCMNQESA-N 2 1 378.495 3.666 20 0 GHADMP C[C@H]1CCCCN1c1cccc(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001165368385 1026712561 /nfs/dbraw/zinc/71/25/61/1026712561.db2.gz TYJUPLBAUUZKTR-IBGZPJMESA-N 2 1 380.536 3.905 20 0 GHADMP Cn1ncc2ccc(C[N@@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001139909011 1026722436 /nfs/dbraw/zinc/72/24/36/1026722436.db2.gz MAVBDQIQHZPJIX-YMPZKCBVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[N@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001139909011 1026722448 /nfs/dbraw/zinc/72/24/48/1026722448.db2.gz MAVBDQIQHZPJIX-YMPZKCBVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[NH+]3C[C@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001139909011 1026722460 /nfs/dbraw/zinc/72/24/60/1026722460.db2.gz MAVBDQIQHZPJIX-YMPZKCBVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[NH+]3C[C@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001139909011 1026722471 /nfs/dbraw/zinc/72/24/71/1026722471.db2.gz MAVBDQIQHZPJIX-YMPZKCBVSA-N 2 1 389.547 3.701 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001140026095 1026812781 /nfs/dbraw/zinc/81/27/81/1026812781.db2.gz VBNTZCLEMMUYPU-JOCHJYFZSA-N 2 1 392.528 3.871 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC2(CC1)C(=O)Nc1c2cccc1F ZINC001140026323 1026813040 /nfs/dbraw/zinc/81/30/40/1026813040.db2.gz XHKPGBZRLSLQJH-UHFFFAOYSA-N 2 1 390.462 3.806 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001140165072 1026937853 /nfs/dbraw/zinc/93/78/53/1026937853.db2.gz JEFGNBZDGGRZSV-XPWALMASSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001140165072 1026937862 /nfs/dbraw/zinc/93/78/62/1026937862.db2.gz JEFGNBZDGGRZSV-XPWALMASSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001140165072 1026937863 /nfs/dbraw/zinc/93/78/63/1026937863.db2.gz JEFGNBZDGGRZSV-XPWALMASSA-N 2 1 385.596 3.771 20 0 GHADMP CC1(C)C[N@@H+](C[C@H](O)c2ccc(F)cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382282 1026962415 /nfs/dbraw/zinc/96/24/15/1026962415.db2.gz IZKDHMALGQHMSY-XZOQPEGZSA-N 2 1 397.538 3.877 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C)cc1O ZINC001140199112 1026971887 /nfs/dbraw/zinc/97/18/87/1026971887.db2.gz GJWVBSFCGWSQRW-UHFFFAOYSA-N 2 1 386.561 3.938 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C)cc1O ZINC001140199112 1026971890 /nfs/dbraw/zinc/97/18/90/1026971890.db2.gz GJWVBSFCGWSQRW-UHFFFAOYSA-N 2 1 386.561 3.938 20 0 GHADMP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H](OCc2ccccn2)[C@H](Cc2ccccc2)C1 ZINC001209729568 1027125200 /nfs/dbraw/zinc/12/52/00/1027125200.db2.gz OGFLLLSPZCGXFG-YKSBVNFPSA-N 2 1 388.515 3.539 20 0 GHADMP Nc1cc[nH+]cc1C[N@H+]1CC[C@H](OCc2ccccn2)[C@H](Cc2ccccc2)C1 ZINC001209729568 1027125210 /nfs/dbraw/zinc/12/52/10/1027125210.db2.gz OGFLLLSPZCGXFG-YKSBVNFPSA-N 2 1 388.515 3.539 20 0 GHADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCCN1c1ccccc1F ZINC001166996507 1027186593 /nfs/dbraw/zinc/18/65/93/1027186593.db2.gz FITXAUZVVVNIFA-JOCHJYFZSA-N 2 1 387.543 3.909 20 0 GHADMP [NH3+]CCN1CC[NH+](Cc2ccc(-c3ccc(C(F)(F)F)cc3Cl)o2)CC1 ZINC001209976207 1027298454 /nfs/dbraw/zinc/29/84/54/1027298454.db2.gz IEWGFHXEQADNGG-UHFFFAOYSA-N 2 1 387.833 3.695 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001203417383 1027323465 /nfs/dbraw/zinc/32/34/65/1027323465.db2.gz VQWLLTDSEMNMOR-CVEARBPZSA-N 2 1 379.335 3.681 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001203417383 1027323484 /nfs/dbraw/zinc/32/34/84/1027323484.db2.gz VQWLLTDSEMNMOR-CVEARBPZSA-N 2 1 379.335 3.681 20 0 GHADMP Brc1ccc2cnc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cc2c1 ZINC001210262926 1027411633 /nfs/dbraw/zinc/41/16/33/1027411633.db2.gz VANKXLGOEPVHPA-UHFFFAOYSA-N 2 1 384.281 3.546 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203701973 1027543221 /nfs/dbraw/zinc/54/32/21/1027543221.db2.gz VXOKICJUMDPSHH-FQEVSTJZSA-N 2 1 385.577 3.955 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203701973 1027543227 /nfs/dbraw/zinc/54/32/27/1027543227.db2.gz VXOKICJUMDPSHH-FQEVSTJZSA-N 2 1 385.577 3.955 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001203744693 1027566759 /nfs/dbraw/zinc/56/67/59/1027566759.db2.gz GVHHRASCUZONRV-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001203744693 1027566778 /nfs/dbraw/zinc/56/67/78/1027566778.db2.gz GVHHRASCUZONRV-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001203744693 1027566795 /nfs/dbraw/zinc/56/67/95/1027566795.db2.gz GVHHRASCUZONRV-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccc1OC(C)=O ZINC001203829166 1027638807 /nfs/dbraw/zinc/63/88/07/1027638807.db2.gz GKQQSUHMLYZTLF-UHFFFAOYSA-N 2 1 398.503 3.702 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)cc1OC ZINC001203838139 1027647693 /nfs/dbraw/zinc/64/76/93/1027647693.db2.gz MWTKRCQUQAFELT-BVSLBCMMSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1OC ZINC001203838139 1027647706 /nfs/dbraw/zinc/64/77/06/1027647706.db2.gz MWTKRCQUQAFELT-BVSLBCMMSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1OC ZINC001203838139 1027647712 /nfs/dbraw/zinc/64/77/12/1027647712.db2.gz MWTKRCQUQAFELT-BVSLBCMMSA-N 2 1 395.547 3.831 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CC[N@H+]3C3CCCC3)c2)CC1 ZINC001210806607 1027657768 /nfs/dbraw/zinc/65/77/68/1027657768.db2.gz IFEMSFXIJFSWII-HSZRJFAPSA-N 2 1 398.595 3.735 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001210844209 1027674865 /nfs/dbraw/zinc/67/48/65/1027674865.db2.gz IBDLTPOSXJHZDR-UXHICEINSA-N 2 1 388.556 3.513 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950505 1027743682 /nfs/dbraw/zinc/74/36/82/1027743682.db2.gz AKNBYAGYMNBHBL-TUACAJSNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950505 1027743697 /nfs/dbraw/zinc/74/36/97/1027743697.db2.gz AKNBYAGYMNBHBL-TUACAJSNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950505 1027743717 /nfs/dbraw/zinc/74/37/17/1027743717.db2.gz AKNBYAGYMNBHBL-TUACAJSNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950505 1027743731 /nfs/dbraw/zinc/74/37/31/1027743731.db2.gz AKNBYAGYMNBHBL-TUACAJSNSA-N 2 1 393.531 3.739 20 0 GHADMP Cc1ccsc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001204020364 1027812109 /nfs/dbraw/zinc/81/21/09/1027812109.db2.gz YPGSGLQHPKLGFX-VAMGGRTRSA-N 2 1 378.582 3.537 20 0 GHADMP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc(OC)c1O ZINC001204120397 1027893295 /nfs/dbraw/zinc/89/32/95/1027893295.db2.gz DBOBBHCOSCQGRH-UHFFFAOYSA-N 2 1 393.487 3.588 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841031882 1028055696 /nfs/dbraw/zinc/05/56/96/1028055696.db2.gz AACSDJQCKCYUOH-UHFFFAOYSA-N 2 1 382.939 3.993 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(Cl)n1 ZINC001142128669 1028209007 /nfs/dbraw/zinc/20/90/07/1028209007.db2.gz PVVGZGOPQXUBDH-GOSISDBHSA-N 2 1 389.927 3.892 20 0 GHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001461429758 1069546027 /nfs/dbraw/zinc/54/60/27/1069546027.db2.gz ITVPGPXBPBBDME-GOSISDBHSA-N 2 1 395.330 3.858 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001142587683 1029112229 /nfs/dbraw/zinc/11/22/29/1029112229.db2.gz YZRWJWRANRICJQ-GOTSBHOMSA-N 2 1 378.516 3.736 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000842479164 1029315766 /nfs/dbraw/zinc/31/57/66/1029315766.db2.gz OVIYBVIGBYEPQS-GGAORHGYSA-N 2 1 393.531 3.510 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842694949 1029504973 /nfs/dbraw/zinc/50/49/73/1029504973.db2.gz NHRIHMGWJPCVEP-FQEVSTJZSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842694949 1029504978 /nfs/dbraw/zinc/50/49/78/1029504978.db2.gz NHRIHMGWJPCVEP-FQEVSTJZSA-N 2 1 385.552 3.640 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842695240 1029505086 /nfs/dbraw/zinc/50/50/86/1029505086.db2.gz YNIZETMYZTWYKV-AZUAARDMSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842695240 1029505104 /nfs/dbraw/zinc/50/51/04/1029505104.db2.gz YNIZETMYZTWYKV-AZUAARDMSA-N 2 1 387.568 3.934 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001142837742 1029556749 /nfs/dbraw/zinc/55/67/49/1029556749.db2.gz YHCDVNPNCWERSC-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001142837742 1029556754 /nfs/dbraw/zinc/55/67/54/1029556754.db2.gz YHCDVNPNCWERSC-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001142837742 1029556757 /nfs/dbraw/zinc/55/67/57/1029556757.db2.gz YHCDVNPNCWERSC-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001142912225 1029678626 /nfs/dbraw/zinc/67/86/26/1029678626.db2.gz YTCKULHLTUWTLH-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001142912225 1029678631 /nfs/dbraw/zinc/67/86/31/1029678631.db2.gz YTCKULHLTUWTLH-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001142912225 1029678636 /nfs/dbraw/zinc/67/86/36/1029678636.db2.gz YTCKULHLTUWTLH-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000842920719 1029685081 /nfs/dbraw/zinc/68/50/81/1029685081.db2.gz KQOIIVDWWGCWLJ-ZNLUXHQJSA-N 2 1 379.504 3.639 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccn3ccnc13)CC2 ZINC001142952088 1029727105 /nfs/dbraw/zinc/72/71/05/1029727105.db2.gz FSNUPTMSQDDRKU-QFIPXVFZSA-N 2 1 390.531 3.590 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccn3ccnc13)CC2 ZINC001142952224 1029727360 /nfs/dbraw/zinc/72/73/60/1029727360.db2.gz KFVJCGBSFUWXFR-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP CCC[NH2+][C@H](C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000843206314 1029851649 /nfs/dbraw/zinc/85/16/49/1029851649.db2.gz LXECWBTYHGDHQR-CQSZACIVSA-N 2 1 377.920 3.593 20 0 GHADMP C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000843354711 1029933384 /nfs/dbraw/zinc/93/33/84/1029933384.db2.gz DHLSQRVJOXMUBX-JTTJXQCZSA-N 2 1 384.351 3.859 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001143237092 1029934982 /nfs/dbraw/zinc/93/49/82/1029934982.db2.gz DPKSGVFFTAHOTB-SFTDATJTSA-N 2 1 389.499 3.518 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000843361402 1029940920 /nfs/dbraw/zinc/94/09/20/1029940920.db2.gz ZOFJBSPGEBNDGN-SOUXKNCUSA-N 2 1 383.561 3.688 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000843361402 1029940925 /nfs/dbraw/zinc/94/09/25/1029940925.db2.gz ZOFJBSPGEBNDGN-SOUXKNCUSA-N 2 1 383.561 3.688 20 0 GHADMP COc1ncc(Br)cc1C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222113532 1029968455 /nfs/dbraw/zinc/96/84/55/1029968455.db2.gz KNSYJQFAKSXBFT-UHFFFAOYSA-N 2 1 396.373 3.989 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc1OCc1ccccc1 ZINC001222187188 1029992974 /nfs/dbraw/zinc/99/29/74/1029992974.db2.gz XQUZOOGMAIBWMT-UHFFFAOYSA-N 2 1 396.531 3.537 20 0 GHADMP COc1cc(C)c(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1OCc1ccccc1 ZINC001222187188 1029992983 /nfs/dbraw/zinc/99/29/83/1029992983.db2.gz XQUZOOGMAIBWMT-UHFFFAOYSA-N 2 1 396.531 3.537 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001222209870 1030007229 /nfs/dbraw/zinc/00/72/29/1030007229.db2.gz AHNFGOSQVAEGTI-HBMCJLEFSA-N 2 1 380.621 3.554 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1C[C@H](C)c1cccc3ccccc31)CC[NH2+]CC2 ZINC001222216130 1030011398 /nfs/dbraw/zinc/01/13/98/1030011398.db2.gz XFQKMNQEHFDMDT-AVRDEDQJSA-N 2 1 380.532 3.951 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccc(Oc3ccccc3)cc1)CC[NH2+]CC2 ZINC001222221534 1030015245 /nfs/dbraw/zinc/01/52/45/1030015245.db2.gz NRQNERBBXWSVCY-QFIPXVFZSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(Oc3ccccc3)cc1)CC[NH2+]CC2 ZINC001222221534 1030015264 /nfs/dbraw/zinc/01/52/64/1030015264.db2.gz NRQNERBBXWSVCY-QFIPXVFZSA-N 2 1 394.515 3.986 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001222574640 1030204651 /nfs/dbraw/zinc/20/46/51/1030204651.db2.gz IMXJBPYZYMRHRV-QHCPKHFHSA-N 3 1 385.596 3.522 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001222574638 1030206094 /nfs/dbraw/zinc/20/60/94/1030206094.db2.gz IMXJBPYZYMRHRV-HSZRJFAPSA-N 3 1 385.596 3.522 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2CCOc2ccccc2)cc1 ZINC001222575727 1030207286 /nfs/dbraw/zinc/20/72/86/1030207286.db2.gz PIOHLGVSKCUOCP-JOCHJYFZSA-N 2 1 380.532 3.869 20 0 GHADMP CCc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc1 ZINC001222590606 1030215807 /nfs/dbraw/zinc/21/58/07/1030215807.db2.gz LFEOPJNSJGHNAR-QHCPKHFHSA-N 2 1 379.548 3.947 20 0 GHADMP CCc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc1 ZINC001222590606 1030215817 /nfs/dbraw/zinc/21/58/17/1030215817.db2.gz LFEOPJNSJGHNAR-QHCPKHFHSA-N 2 1 379.548 3.947 20 0 GHADMP c1[nH]c2cccnc2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590586 1030216606 /nfs/dbraw/zinc/21/66/06/1030216606.db2.gz KGHKRDQEKGLFMV-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP Clc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608792 1030230803 /nfs/dbraw/zinc/23/08/03/1030230803.db2.gz FGPAFYXGNIAFAP-HXUWFJFHSA-N 2 1 378.907 3.715 20 0 GHADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608792 1030230818 /nfs/dbraw/zinc/23/08/18/1030230818.db2.gz FGPAFYXGNIAFAP-HXUWFJFHSA-N 2 1 378.907 3.715 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001149825045 1030315980 /nfs/dbraw/zinc/31/59/80/1030315980.db2.gz HBZXZCQZPYHBJZ-JOCHJYFZSA-N 2 1 389.559 3.807 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001149825045 1030316003 /nfs/dbraw/zinc/31/60/03/1030316003.db2.gz HBZXZCQZPYHBJZ-JOCHJYFZSA-N 2 1 389.559 3.807 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)c1ccccc1Cl ZINC001223455694 1030582107 /nfs/dbraw/zinc/58/21/07/1030582107.db2.gz YRZJXTNDONOYLN-SLFFLAALSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@]([NH3+])(Cc1ccc(F)cc1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217734909 1030635230 /nfs/dbraw/zinc/63/52/30/1030635230.db2.gz VBTBLVYDINRHHI-GCJKJVERSA-N 2 1 380.467 3.615 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218334523 1030899802 /nfs/dbraw/zinc/89/98/02/1030899802.db2.gz BLJJMYBKRURJHB-CPJSRVTESA-N 2 1 393.575 3.899 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218334523 1030899827 /nfs/dbraw/zinc/89/98/27/1030899827.db2.gz BLJJMYBKRURJHB-CPJSRVTESA-N 3 1 393.575 3.899 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218334523 1030899845 /nfs/dbraw/zinc/89/98/45/1030899845.db2.gz BLJJMYBKRURJHB-CPJSRVTESA-N 3 1 393.575 3.899 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OCCO[C@H]3CC[NH2+]C3)c2)CC[N@H+]1C ZINC001218391829 1030916811 /nfs/dbraw/zinc/91/68/11/1030916811.db2.gz ZQXJDTNGQGDRJI-XQUALCHDSA-N 2 1 386.580 3.986 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001224858953 1031155178 /nfs/dbraw/zinc/15/51/78/1031155178.db2.gz RRGCTRILRDSVKB-BGYRXZFFSA-N 2 1 392.632 3.793 20 0 GHADMP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001218938218 1031163262 /nfs/dbraw/zinc/16/32/62/1031163262.db2.gz QGWNFCUIXMGHQZ-FQEVSTJZSA-N 2 1 397.950 3.879 20 0 GHADMP O=C(Nc1cc(C2CCCCC2)ccc1O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219398385 1031396656 /nfs/dbraw/zinc/39/66/56/1031396656.db2.gz INWGWGYRXHTDSC-IBGZPJMESA-N 2 1 385.552 3.842 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)c1ccccc1 ZINC001219537538 1031481076 /nfs/dbraw/zinc/48/10/76/1031481076.db2.gz NIXNKLZZMOFPNF-AAIMPIBUSA-N 2 1 393.531 3.936 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001219711559 1031572162 /nfs/dbraw/zinc/57/21/62/1031572162.db2.gz HNKIAJCKXARGCK-XLIONFOSSA-N 2 1 381.524 3.664 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001219711559 1031572173 /nfs/dbraw/zinc/57/21/73/1031572173.db2.gz HNKIAJCKXARGCK-XLIONFOSSA-N 2 1 381.524 3.664 20 0 GHADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1CC12CCCCC2 ZINC001219726923 1031581106 /nfs/dbraw/zinc/58/11/06/1031581106.db2.gz RYTWHXJZAOFCFE-FCHUYYIVSA-N 2 1 395.591 3.575 20 0 GHADMP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001219934819 1031703820 /nfs/dbraw/zinc/70/38/20/1031703820.db2.gz OLWJYPUVGKORDE-MBSDFSHPSA-N 2 1 390.531 3.571 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001219940921 1031708333 /nfs/dbraw/zinc/70/83/33/1031708333.db2.gz IGQJYUMBNPOWGP-XWGVYQGASA-N 2 1 391.559 3.898 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001219941207 1031708444 /nfs/dbraw/zinc/70/84/44/1031708444.db2.gz REKPOUTUFVFMKZ-NFBKMPQASA-N 2 1 377.532 3.753 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001220552644 1031986740 /nfs/dbraw/zinc/98/67/40/1031986740.db2.gz SRPIOJBHVXTLOJ-MOPGFXCFSA-N 2 1 392.975 3.649 20 0 GHADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC001205248651 1033325101 /nfs/dbraw/zinc/32/51/01/1033325101.db2.gz RDENNJYDRZWOJF-HXUWFJFHSA-N 2 1 394.437 3.928 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001229185331 1033326827 /nfs/dbraw/zinc/32/68/27/1033326827.db2.gz JTBUIEFQGWXCOG-NWSQWKLXSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001229185331 1033326844 /nfs/dbraw/zinc/32/68/44/1033326844.db2.gz JTBUIEFQGWXCOG-NWSQWKLXSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001229185331 1033326858 /nfs/dbraw/zinc/32/68/58/1033326858.db2.gz JTBUIEFQGWXCOG-NWSQWKLXSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)CCCO1 ZINC001205405991 1033396566 /nfs/dbraw/zinc/39/65/66/1033396566.db2.gz PEJVVGMKUKKJJZ-MOPGFXCFSA-N 2 1 397.604 3.503 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1C ZINC001205591325 1033482914 /nfs/dbraw/zinc/48/29/14/1033482914.db2.gz KLEQWPWNPQHIGJ-MRXNPFEDSA-N 2 1 390.284 3.561 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001461860082 1069800168 /nfs/dbraw/zinc/80/01/68/1069800168.db2.gz DAQFLGFQBTXSNI-XZOQPEGZSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001461860082 1069800182 /nfs/dbraw/zinc/80/01/82/1069800182.db2.gz DAQFLGFQBTXSNI-XZOQPEGZSA-N 2 1 378.516 3.960 20 0 GHADMP COc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)s2)cc1OC ZINC001205628781 1033499106 /nfs/dbraw/zinc/49/91/06/1033499106.db2.gz WPZHFILTXMYSBX-HOCLYGCPSA-N 2 1 375.538 3.634 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)CC[C@H]1C[NH3+] ZINC001205651277 1033511624 /nfs/dbraw/zinc/51/16/24/1033511624.db2.gz CCEAXVNFRVPNRJ-NEPJUHHUSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC[C@@H]1C[NH3+] ZINC001205651473 1033511993 /nfs/dbraw/zinc/51/19/93/1033511993.db2.gz FMTQRMVTVZNJCB-FXAWDEMLSA-N 2 1 382.504 3.801 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001461860082 1069800206 /nfs/dbraw/zinc/80/02/06/1069800206.db2.gz DAQFLGFQBTXSNI-XZOQPEGZSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001461860082 1069800231 /nfs/dbraw/zinc/80/02/31/1069800231.db2.gz DAQFLGFQBTXSNI-XZOQPEGZSA-N 2 1 378.516 3.960 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2csc3ccccc23)[C@H](c2ccccc2)C1 ZINC001157495682 1033618887 /nfs/dbraw/zinc/61/88/87/1033618887.db2.gz KNNUMCMGNGYIKU-FPOVZHCZSA-N 2 1 393.556 3.677 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2csc3ccccc23)[C@H](c2ccccc2)C1 ZINC001157495682 1033618900 /nfs/dbraw/zinc/61/89/00/1033618900.db2.gz KNNUMCMGNGYIKU-FPOVZHCZSA-N 2 1 393.556 3.677 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)[C@H](c2ccccc2)C1 ZINC001157496246 1033620835 /nfs/dbraw/zinc/62/08/35/1033620835.db2.gz TWLHGEAFSCKGDR-MSOLQXFVSA-N 2 1 392.330 3.899 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)[C@H](c2ccccc2)C1 ZINC001157496246 1033620841 /nfs/dbraw/zinc/62/08/41/1033620841.db2.gz TWLHGEAFSCKGDR-MSOLQXFVSA-N 2 1 392.330 3.899 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc1 ZINC001205912402 1033632911 /nfs/dbraw/zinc/63/29/11/1033632911.db2.gz ADZJSQCJDFDLIC-PXNSSMCTSA-N 2 1 382.504 3.611 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1OC(=O)c1cccs1 ZINC001205997063 1033676203 /nfs/dbraw/zinc/67/62/03/1033676203.db2.gz ZIXCMTRTJWSWPN-DOTOQJQBSA-N 2 1 388.533 3.783 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c2n1 ZINC001206012248 1033686457 /nfs/dbraw/zinc/68/64/57/1033686457.db2.gz JGTCVGQMVSQUML-UONOGXRCSA-N 2 1 392.341 3.813 20 0 GHADMP C[C@@H]1[C@H]([NH3+])CCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001157744912 1033751056 /nfs/dbraw/zinc/75/10/56/1033751056.db2.gz HPWXGCCDENCTMN-RHSMWYFYSA-N 2 1 381.549 3.736 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@H]1F ZINC001206197805 1033760905 /nfs/dbraw/zinc/76/09/05/1033760905.db2.gz JKXDDDUKRFPZNJ-CVEARBPZSA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@H]1F ZINC001206197805 1033760914 /nfs/dbraw/zinc/76/09/14/1033760914.db2.gz JKXDDDUKRFPZNJ-CVEARBPZSA-N 2 1 383.389 3.908 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157991430 1033858590 /nfs/dbraw/zinc/85/85/90/1033858590.db2.gz ZXKUYNLAHSKSHT-YTFSRNRJSA-N 2 1 391.559 3.644 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157991430 1033858606 /nfs/dbraw/zinc/85/86/06/1033858606.db2.gz ZXKUYNLAHSKSHT-YTFSRNRJSA-N 2 1 391.559 3.644 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157991430 1033858617 /nfs/dbraw/zinc/85/86/17/1033858617.db2.gz ZXKUYNLAHSKSHT-YTFSRNRJSA-N 2 1 391.559 3.644 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157991430 1033858629 /nfs/dbraw/zinc/85/86/29/1033858629.db2.gz ZXKUYNLAHSKSHT-YTFSRNRJSA-N 2 1 391.559 3.644 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)c(Cl)cc1Cl ZINC001277442703 1033871653 /nfs/dbraw/zinc/87/16/53/1033871653.db2.gz DMRKOYJKLPVTMT-INIZCTEOSA-N 2 1 398.378 3.582 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001158160938 1033945268 /nfs/dbraw/zinc/94/52/68/1033945268.db2.gz MHIAGYDESHIBIZ-ISKFKSNPSA-N 2 1 377.532 3.604 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001158160938 1033945271 /nfs/dbraw/zinc/94/52/71/1033945271.db2.gz MHIAGYDESHIBIZ-ISKFKSNPSA-N 2 1 377.532 3.604 20 0 GHADMP Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206717436 1033957247 /nfs/dbraw/zinc/95/72/47/1033957247.db2.gz UAVHLJDNSDGFSZ-QHCPKHFHSA-N 2 1 380.532 3.871 20 0 GHADMP Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206717436 1033957253 /nfs/dbraw/zinc/95/72/53/1033957253.db2.gz UAVHLJDNSDGFSZ-QHCPKHFHSA-N 2 1 380.532 3.871 20 0 GHADMP CSc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)o1 ZINC001206776679 1033978376 /nfs/dbraw/zinc/97/83/76/1033978376.db2.gz DWOMNZVQDLAAFS-LJQANCHMSA-N 2 1 375.538 3.890 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)o1 ZINC001206776679 1033978380 /nfs/dbraw/zinc/97/83/80/1033978380.db2.gz DWOMNZVQDLAAFS-LJQANCHMSA-N 2 1 375.538 3.890 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)o1 ZINC001206776679 1033978384 /nfs/dbraw/zinc/97/83/84/1033978384.db2.gz DWOMNZVQDLAAFS-LJQANCHMSA-N 2 1 375.538 3.890 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2cc(C)cc(Cl)n2)c1 ZINC001158322407 1034021063 /nfs/dbraw/zinc/02/10/63/1034021063.db2.gz CIYGGCYHGFOBQB-UHFFFAOYSA-N 2 1 382.842 3.755 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001230643995 1034159877 /nfs/dbraw/zinc/15/98/77/1034159877.db2.gz QMZPNBHPEXRKPK-OAQYLSRUSA-N 2 1 392.632 3.700 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292517 1034245661 /nfs/dbraw/zinc/24/56/61/1034245661.db2.gz SDHGAKKBEXNJET-OAQYLSRUSA-N 2 1 387.568 3.840 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207293933 1034247170 /nfs/dbraw/zinc/24/71/70/1034247170.db2.gz NQYGMMFPGRFVHN-UHFFFAOYSA-N 2 1 391.559 3.747 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207293691 1034247781 /nfs/dbraw/zinc/24/77/81/1034247781.db2.gz KFCCXFRHZRHGTA-QHCPKHFHSA-N 2 1 380.532 3.615 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207293691 1034247795 /nfs/dbraw/zinc/24/77/95/1034247795.db2.gz KFCCXFRHZRHGTA-QHCPKHFHSA-N 2 1 380.532 3.615 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001207368720 1034310545 /nfs/dbraw/zinc/31/05/45/1034310545.db2.gz YEMTUSRVZHMAMG-LJQANCHMSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001207368720 1034310556 /nfs/dbraw/zinc/31/05/56/1034310556.db2.gz YEMTUSRVZHMAMG-LJQANCHMSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001207368719 1034311511 /nfs/dbraw/zinc/31/15/11/1034311511.db2.gz YEMTUSRVZHMAMG-IBGZPJMESA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001207368719 1034311528 /nfs/dbraw/zinc/31/15/28/1034311528.db2.gz YEMTUSRVZHMAMG-IBGZPJMESA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207376739 1034321702 /nfs/dbraw/zinc/32/17/02/1034321702.db2.gz ZQMDOOSDLYAQOI-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207376739 1034321713 /nfs/dbraw/zinc/32/17/13/1034321713.db2.gz ZQMDOOSDLYAQOI-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001207376739 1034321721 /nfs/dbraw/zinc/32/17/21/1034321721.db2.gz ZQMDOOSDLYAQOI-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001207376739 1034321729 /nfs/dbraw/zinc/32/17/29/1034321729.db2.gz ZQMDOOSDLYAQOI-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP C[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccs2)CC1 ZINC001207399776 1034342190 /nfs/dbraw/zinc/34/21/90/1034342190.db2.gz SCDZEHBTGWGGBS-QGZVFWFLSA-N 2 1 379.570 3.684 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cccs2)CC1 ZINC001207399776 1034342202 /nfs/dbraw/zinc/34/22/02/1034342202.db2.gz SCDZEHBTGWGGBS-QGZVFWFLSA-N 2 1 379.570 3.684 20 0 GHADMP C[NH+]1CCC(CC[N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001207481687 1034391780 /nfs/dbraw/zinc/39/17/80/1034391780.db2.gz MQGCXSZEAZZPOP-FCHUYYIVSA-N 2 1 399.579 3.937 20 0 GHADMP C[NH+]1CCC(CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001207488721 1034394641 /nfs/dbraw/zinc/39/46/41/1034394641.db2.gz PNGDEGWGQBWDOU-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP Clc1cccc(CCC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207589310 1034469242 /nfs/dbraw/zinc/46/92/42/1034469242.db2.gz IJUSXQCSQWDLNL-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP Clc1cccc(CCC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207589310 1034469256 /nfs/dbraw/zinc/46/92/56/1034469256.db2.gz IJUSXQCSQWDLNL-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP Clc1cccc(CCC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207589310 1034469266 /nfs/dbraw/zinc/46/92/66/1034469266.db2.gz IJUSXQCSQWDLNL-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP Brc1ccc(Br)c(C[NH2+]C[C@H]2C[NH+]3CCC2CC3)c1 ZINC001207723580 1034543411 /nfs/dbraw/zinc/54/34/11/1034543411.db2.gz LZFWPIUIMIWQNZ-ZDUSSCGKSA-N 2 1 388.147 3.643 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418327 1034569346 /nfs/dbraw/zinc/56/93/46/1034569346.db2.gz QTNURBLZEAIGGT-NHCUHLMSSA-N 2 1 394.515 3.523 20 0 GHADMP COC(=O)c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418327 1034569352 /nfs/dbraw/zinc/56/93/52/1034569352.db2.gz QTNURBLZEAIGGT-NHCUHLMSSA-N 2 1 394.515 3.523 20 0 GHADMP COC(=O)c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418327 1034569359 /nfs/dbraw/zinc/56/93/59/1034569359.db2.gz QTNURBLZEAIGGT-NHCUHLMSSA-N 2 1 394.515 3.523 20 0 GHADMP Cc1c(C)c(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C)c1C ZINC001231494125 1034638475 /nfs/dbraw/zinc/63/84/75/1034638475.db2.gz SRKXAQBBBYSXIM-PKTZIBPZSA-N 2 1 380.580 3.916 20 0 GHADMP Cc1c(C)c(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C)c1C ZINC001231494125 1034638485 /nfs/dbraw/zinc/63/84/85/1034638485.db2.gz SRKXAQBBBYSXIM-PKTZIBPZSA-N 2 1 380.580 3.916 20 0 GHADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(C)c1C ZINC001231494125 1034638491 /nfs/dbraw/zinc/63/84/91/1034638491.db2.gz SRKXAQBBBYSXIM-PKTZIBPZSA-N 2 1 380.580 3.916 20 0 GHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(C)c1C ZINC001231494125 1034638497 /nfs/dbraw/zinc/63/84/97/1034638497.db2.gz SRKXAQBBBYSXIM-PKTZIBPZSA-N 2 1 380.580 3.916 20 0 GHADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)o1 ZINC001207947130 1034676934 /nfs/dbraw/zinc/67/69/34/1034676934.db2.gz RBDPVSVREMCCCR-DNVJHFABSA-N 2 1 390.568 3.501 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(Nc4ccc(C(C)(C)C[NH3+])cc4)cc3)CC2)CC1 ZINC001159580272 1034677988 /nfs/dbraw/zinc/67/79/88/1034677988.db2.gz MSQLCMLCIXGNIN-UHFFFAOYSA-N 2 1 378.564 3.903 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(Nc4ccc([C@H]5CC[NH2+]C5)cc4)cc3)CC2)CC1 ZINC001159776446 1034739614 /nfs/dbraw/zinc/73/96/14/1034739614.db2.gz UUNUEMHIQWLITJ-FQEVSTJZSA-N 2 1 376.548 3.744 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001208110466 1034740789 /nfs/dbraw/zinc/74/07/89/1034740789.db2.gz SWFOWAPPHSDACF-LEWJYISDSA-N 2 1 399.579 3.937 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CCCC1 ZINC001208185389 1034782204 /nfs/dbraw/zinc/78/22/04/1034782204.db2.gz MOAORRUGQZGADS-QFIPXVFZSA-N 2 1 389.609 3.798 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CCCC1 ZINC001208185386 1034783533 /nfs/dbraw/zinc/78/35/33/1034783533.db2.gz MOAORRUGQZGADS-JOCHJYFZSA-N 2 1 389.609 3.798 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001208190652 1034786456 /nfs/dbraw/zinc/78/64/56/1034786456.db2.gz HUKYBKWBJUTOEF-XMMPIXPASA-N 2 1 383.580 3.755 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)nc1 ZINC001231640117 1034797350 /nfs/dbraw/zinc/79/73/50/1034797350.db2.gz HPUSDQOFLTVKEA-FQEVSTJZSA-N 2 1 385.577 3.961 20 0 GHADMP CCCOc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001231860900 1034949315 /nfs/dbraw/zinc/94/93/15/1034949315.db2.gz GFUHZOSYYMDZIU-UHFFFAOYSA-N 2 1 380.536 3.754 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)CC1 ZINC001208600071 1034951472 /nfs/dbraw/zinc/95/14/72/1034951472.db2.gz OZNGTLFCULXDNK-UHFFFAOYSA-N 3 1 385.596 3.715 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)C1 ZINC001208606576 1034951957 /nfs/dbraw/zinc/95/19/57/1034951957.db2.gz GKONZXKYRIQFPD-HXUWFJFHSA-N 2 1 381.564 3.509 20 0 GHADMP C[N@H+](Cc1ccccc1Nc1ccncc1C[NH3+])C[C@@H](O)c1ccc(Cl)cc1 ZINC001160389522 1034964392 /nfs/dbraw/zinc/96/43/92/1034964392.db2.gz UIUMTKQICFWAQN-JOCHJYFZSA-N 2 1 396.922 3.525 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1)CC(C)(C)C ZINC001208661703 1034973217 /nfs/dbraw/zinc/97/32/17/1034973217.db2.gz XPOHOVYUMYHBAP-HMXCVIKNSA-N 2 1 377.617 3.856 20 0 GHADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1)c1cccc2ccccc21 ZINC001208715892 1034989145 /nfs/dbraw/zinc/98/91/45/1034989145.db2.gz KNVVZGPINUMZGZ-HWXYTADMSA-N 2 1 389.547 3.630 20 0 GHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1)c1cccc2ccccc21 ZINC001208715892 1034989152 /nfs/dbraw/zinc/98/91/52/1034989152.db2.gz KNVVZGPINUMZGZ-HWXYTADMSA-N 2 1 389.547 3.630 20 0 GHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1)c1cccc2ccccc21 ZINC001208715892 1034989157 /nfs/dbraw/zinc/98/91/57/1034989157.db2.gz KNVVZGPINUMZGZ-HWXYTADMSA-N 2 1 389.547 3.630 20 0 GHADMP [NH3+]C[C@]1(Nc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)C[NH+]2CCC1CC2 ZINC001160521077 1034994088 /nfs/dbraw/zinc/99/40/88/1034994088.db2.gz VMWDMEMVKMPFPW-DEOSSOPVSA-N 2 1 385.515 3.646 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1F ZINC001231929316 1034995675 /nfs/dbraw/zinc/99/56/75/1034995675.db2.gz WEQMBPXLTQKLPI-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001208758708 1035003791 /nfs/dbraw/zinc/00/37/91/1035003791.db2.gz OJGATESEPDVSNT-YADHBBJMSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001208758708 1035003803 /nfs/dbraw/zinc/00/38/03/1035003803.db2.gz OJGATESEPDVSNT-YADHBBJMSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001208758708 1035003812 /nfs/dbraw/zinc/00/38/12/1035003812.db2.gz OJGATESEPDVSNT-YADHBBJMSA-N 2 1 380.532 3.700 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001208787573 1035020553 /nfs/dbraw/zinc/02/05/53/1035020553.db2.gz JRLSLFWYRPERNM-WAGURGNTSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001208787573 1035020562 /nfs/dbraw/zinc/02/05/62/1035020562.db2.gz JRLSLFWYRPERNM-WAGURGNTSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001208787573 1035020572 /nfs/dbraw/zinc/02/05/72/1035020572.db2.gz JRLSLFWYRPERNM-WAGURGNTSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001208787573 1035020582 /nfs/dbraw/zinc/02/05/82/1035020582.db2.gz JRLSLFWYRPERNM-WAGURGNTSA-N 2 1 387.568 3.593 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)cnc1F)CC2 ZINC001231994071 1035030455 /nfs/dbraw/zinc/03/04/55/1035030455.db2.gz RTHLAHXISQAPLJ-QGZVFWFLSA-N 2 1 393.890 3.723 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1)[C@@H]1CCOC1 ZINC001208818932 1035037918 /nfs/dbraw/zinc/03/79/18/1035037918.db2.gz YBYPAHWHVQOMMK-OAQYLSRUSA-N 2 1 388.552 3.575 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1)[C@H]1CCOC1 ZINC001208818928 1035038098 /nfs/dbraw/zinc/03/80/98/1035038098.db2.gz YBYPAHWHVQOMMK-NRFANRHFSA-N 2 1 388.552 3.575 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013213 1035042427 /nfs/dbraw/zinc/04/24/27/1035042427.db2.gz GXUBTHSLDGSCID-UHFFFAOYSA-N 3 1 375.520 3.835 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232012641 1035042954 /nfs/dbraw/zinc/04/29/54/1035042954.db2.gz MCHVEDOSUGOUBF-APWZRJJASA-N 2 1 387.462 3.874 20 0 GHADMP O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001232013994 1035043797 /nfs/dbraw/zinc/04/37/97/1035043797.db2.gz XBVZHYDCKXMFJS-UHFFFAOYSA-N 2 1 380.517 3.753 20 0 GHADMP c1c(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013859 1035044466 /nfs/dbraw/zinc/04/44/66/1035044466.db2.gz DSIXMNYPVOGMAX-XZOQPEGZSA-N 2 1 392.503 3.546 20 0 GHADMP c1c(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232015481 1035045871 /nfs/dbraw/zinc/04/58/71/1035045871.db2.gz XFKCXUOUCROWPZ-DHIUTWEWSA-N 2 1 392.503 3.546 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ncccc4[nH]3)C[C@H]21 ZINC001232070334 1035076320 /nfs/dbraw/zinc/07/63/20/1035076320.db2.gz RRCJQSSQJFPVAM-HCLVMJGWSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ncccc4[nH]3)C[C@H]21 ZINC001232070334 1035076329 /nfs/dbraw/zinc/07/63/29/1035076329.db2.gz RRCJQSSQJFPVAM-HCLVMJGWSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ncccc4[nH]3)C[C@H]21 ZINC001232070334 1035076334 /nfs/dbraw/zinc/07/63/34/1035076334.db2.gz RRCJQSSQJFPVAM-HCLVMJGWSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ncccc4[nH]3)C[C@H]21 ZINC001232070334 1035076341 /nfs/dbraw/zinc/07/63/41/1035076341.db2.gz RRCJQSSQJFPVAM-HCLVMJGWSA-N 2 1 375.520 3.690 20 0 GHADMP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C(F)(F)F)n1 ZINC001232088629 1035087956 /nfs/dbraw/zinc/08/79/56/1035087956.db2.gz YHBJTYSYTXDBSL-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C(F)(F)F)n1 ZINC001232088629 1035087967 /nfs/dbraw/zinc/08/79/67/1035087967.db2.gz YHBJTYSYTXDBSL-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208931275 1035093886 /nfs/dbraw/zinc/09/38/86/1035093886.db2.gz ISRCNPWACFXXTN-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208931275 1035093894 /nfs/dbraw/zinc/09/38/94/1035093894.db2.gz ISRCNPWACFXXTN-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208931275 1035093902 /nfs/dbraw/zinc/09/39/02/1035093902.db2.gz ISRCNPWACFXXTN-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP O=C1Nc2ccccc2C12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930415 1035095328 /nfs/dbraw/zinc/09/53/28/1035095328.db2.gz BCGOZJGELLHMGY-OAQYLSRUSA-N 2 1 389.543 3.885 20 0 GHADMP Cc1cc(OC2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)ncn1 ZINC001208939598 1035108426 /nfs/dbraw/zinc/10/84/26/1035108426.db2.gz DECKUKVJNBNFTK-NRFANRHFSA-N 2 1 380.536 3.540 20 0 GHADMP O=C1Cc2ccccc2N1C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949196 1035120233 /nfs/dbraw/zinc/12/02/33/1035120233.db2.gz IUWHIMSQTUVMPU-NRFANRHFSA-N 2 1 389.543 3.562 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)C2)cc1 ZINC001208950909 1035121983 /nfs/dbraw/zinc/12/19/83/1035121983.db2.gz GGKWORMKJSDNHP-UBFVSLLYSA-N 2 1 398.591 3.664 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)C2)cc1 ZINC001208950909 1035121990 /nfs/dbraw/zinc/12/19/90/1035121990.db2.gz GGKWORMKJSDNHP-UBFVSLLYSA-N 2 1 398.591 3.664 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)C2)cc1 ZINC001208950909 1035121993 /nfs/dbraw/zinc/12/19/93/1035121993.db2.gz GGKWORMKJSDNHP-UBFVSLLYSA-N 2 1 398.591 3.664 20 0 GHADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951600 1035124184 /nfs/dbraw/zinc/12/41/84/1035124184.db2.gz AADVHTZPRCWGGA-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP C[NH+](CCCCNC(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951600 1035124192 /nfs/dbraw/zinc/12/41/92/1035124192.db2.gz AADVHTZPRCWGGA-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP C[NH+](CCCCNC(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951600 1035124201 /nfs/dbraw/zinc/12/42/01/1035124201.db2.gz AADVHTZPRCWGGA-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953975 1035128165 /nfs/dbraw/zinc/12/81/65/1035128165.db2.gz RYZRMPQBWPYTFF-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208953975 1035128171 /nfs/dbraw/zinc/12/81/71/1035128171.db2.gz RYZRMPQBWPYTFF-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208953975 1035128175 /nfs/dbraw/zinc/12/81/75/1035128175.db2.gz RYZRMPQBWPYTFF-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151431 1035130614 /nfs/dbraw/zinc/13/06/14/1035130614.db2.gz NOOIDARYVWTQDK-HNAYVOBHSA-N 2 1 379.520 3.765 20 0 GHADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151431 1035130620 /nfs/dbraw/zinc/13/06/20/1035130620.db2.gz NOOIDARYVWTQDK-HNAYVOBHSA-N 2 1 379.520 3.765 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001209109951 1035178316 /nfs/dbraw/zinc/17/83/16/1035178316.db2.gz LMVNPCSKFPRIBA-RXVVDRJESA-N 2 1 380.935 3.702 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001209109951 1035178321 /nfs/dbraw/zinc/17/83/21/1035178321.db2.gz LMVNPCSKFPRIBA-RXVVDRJESA-N 2 1 380.935 3.702 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccc(F)cc1Cl)C2 ZINC001209109951 1035178325 /nfs/dbraw/zinc/17/83/25/1035178325.db2.gz LMVNPCSKFPRIBA-RXVVDRJESA-N 2 1 380.935 3.702 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccc(F)cc1Cl)C2 ZINC001209109951 1035178330 /nfs/dbraw/zinc/17/83/30/1035178330.db2.gz LMVNPCSKFPRIBA-RXVVDRJESA-N 2 1 380.935 3.702 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCc1cc(F)cc(F)c1)CC2 ZINC001209129676 1035185842 /nfs/dbraw/zinc/18/58/42/1035185842.db2.gz BQAGFORMNTVTCM-HXUWFJFHSA-N 2 1 390.474 3.856 20 0 GHADMP Fc1cc(F)cc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001209130157 1035185868 /nfs/dbraw/zinc/18/58/68/1035185868.db2.gz HBWBFRDSXZYZAP-UHFFFAOYSA-N 2 1 392.515 3.936 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CCCCCc1ccccc1)CCC2 ZINC001209230045 1035212994 /nfs/dbraw/zinc/21/29/94/1035212994.db2.gz PQNGFFWBSPOBJB-UHFFFAOYSA-N 2 1 384.568 3.580 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3ncnc4c3CC[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161456039 1035234868 /nfs/dbraw/zinc/23/48/68/1035234868.db2.gz FPSZAHWQPYKXHK-PKTZIBPZSA-N 2 1 399.542 3.593 20 0 GHADMP CCOCC[N@@H+](CCC[NH+]1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209454692 1035277740 /nfs/dbraw/zinc/27/77/40/1035277740.db2.gz SAYONKSSKUZBOW-UHFFFAOYSA-N 2 1 397.604 3.600 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001461984835 1069929675 /nfs/dbraw/zinc/92/96/75/1069929675.db2.gz XHBHHEKXSDDNRF-HXUWFJFHSA-N 2 1 389.584 3.991 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001461984835 1069929683 /nfs/dbraw/zinc/92/96/83/1069929683.db2.gz XHBHHEKXSDDNRF-HXUWFJFHSA-N 2 1 389.584 3.991 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001461984835 1069929686 /nfs/dbraw/zinc/92/96/86/1069929686.db2.gz XHBHHEKXSDDNRF-HXUWFJFHSA-N 2 1 389.584 3.991 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC001461992621 1069933444 /nfs/dbraw/zinc/93/34/44/1069933444.db2.gz UJDFBBHNBHVMDF-HSALFYBXSA-N 2 1 384.545 3.925 20 0 GHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)c1 ZINC001248172449 1035599557 /nfs/dbraw/zinc/59/95/57/1035599557.db2.gz DYMDALGOOHDHKL-SNRMKQJTSA-N 2 1 391.475 3.718 20 0 GHADMP Cc1cc(-c2noc([C@H]([NH3+])CC3CC[NH2+]CC3)n2)cc(C)c1Br ZINC001248896078 1036227058 /nfs/dbraw/zinc/22/70/58/1036227058.db2.gz LJPLPYMEBLNRMR-CQSZACIVSA-N 2 1 379.302 3.505 20 0 GHADMP CCN(CC)C(=O)c1cccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1F ZINC001244716602 1036608940 /nfs/dbraw/zinc/60/89/40/1036608940.db2.gz SYJRXPREOQNTSY-UHFFFAOYSA-N 2 1 383.511 3.898 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246031330 1037145782 /nfs/dbraw/zinc/14/57/82/1037145782.db2.gz PSRSJULLFIKSFJ-ZJSXRUAMSA-N 2 1 382.548 3.825 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246036984 1037152127 /nfs/dbraw/zinc/15/21/27/1037152127.db2.gz WBWCDPUWPSZTPN-FGZHOGPDSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246036984 1037152138 /nfs/dbraw/zinc/15/21/38/1037152138.db2.gz WBWCDPUWPSZTPN-FGZHOGPDSA-N 2 1 394.987 3.504 20 0 GHADMP CCCCC[C@@H](O)C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001246054045 1037165772 /nfs/dbraw/zinc/16/57/72/1037165772.db2.gz WDCHNJBABFAEAV-LJQANCHMSA-N 2 1 383.374 3.944 20 0 GHADMP CC(C)(C)C[N@@H+](CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246066637 1037179690 /nfs/dbraw/zinc/17/96/90/1037179690.db2.gz LEJSIRSUOFKZLU-HZCBDIJESA-N 3 1 387.612 3.632 20 0 GHADMP O[C@@]1(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN(Cc2ccccc2)C1 ZINC001246067689 1037180991 /nfs/dbraw/zinc/18/09/91/1037180991.db2.gz UTFILEBZXDTAKV-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH+](Cc2ccccc2)C1 ZINC001246067689 1037181001 /nfs/dbraw/zinc/18/10/01/1037181001.db2.gz UTFILEBZXDTAKV-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH+](Cc2ccccc2)C1 ZINC001246067689 1037181012 /nfs/dbraw/zinc/18/10/12/1037181012.db2.gz UTFILEBZXDTAKV-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC001246067689 1037181023 /nfs/dbraw/zinc/18/10/23/1037181023.db2.gz UTFILEBZXDTAKV-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001246067689 1037181034 /nfs/dbraw/zinc/18/10/34/1037181034.db2.gz UTFILEBZXDTAKV-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246068935 1037183883 /nfs/dbraw/zinc/18/38/83/1037183883.db2.gz UNUWZCFPORWNOP-VABKMULXSA-N 2 1 382.548 3.815 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123236 1037202723 /nfs/dbraw/zinc/20/27/23/1037202723.db2.gz UKHAGUDLSRAFPN-QNWVGRARSA-N 3 1 387.612 3.672 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246126385 1037206325 /nfs/dbraw/zinc/20/63/25/1037206325.db2.gz LIQHJLCWJQSRMW-YGOYIFOWSA-N 3 1 391.559 3.844 20 0 GHADMP C[C@@H]1CC(N[C@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)C[C@@H](C)[NH2+]1 ZINC001246136067 1037209603 /nfs/dbraw/zinc/20/96/03/1037209603.db2.gz ZOHASNOFDUJTBM-LBTNJELSSA-N 2 1 392.385 3.634 20 0 GHADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246202226 1037236203 /nfs/dbraw/zinc/23/62/03/1037236203.db2.gz SQWGSALKFHUWKK-CDNPAEQRSA-N 2 1 380.532 3.728 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246209002 1037240102 /nfs/dbraw/zinc/24/01/02/1037240102.db2.gz KSEBAFLJNDBKBF-ZVDOUQERSA-N 2 1 376.903 3.774 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246223185 1037245204 /nfs/dbraw/zinc/24/52/04/1037245204.db2.gz VNEGVNRXRSZSDA-BBRMVZONSA-N 2 1 375.301 3.995 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC[NH2+]1 ZINC001246271339 1037266776 /nfs/dbraw/zinc/26/67/76/1037266776.db2.gz GWKYHMCJOPXNNK-FDFHNCONSA-N 2 1 385.596 3.803 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](NC[C@H]2Cc4ccccc4C[NH2+]2)C3)cc1 ZINC001246276655 1037272901 /nfs/dbraw/zinc/27/29/01/1037272901.db2.gz DTIMIIAORRTZQK-ZKGSSEMHSA-N 2 1 375.560 3.876 20 0 GHADMP C[C@H]1C[C@@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)CC[NH2+]1 ZINC001246311082 1037290679 /nfs/dbraw/zinc/29/06/79/1037290679.db2.gz JQSWQPNQFIJJPV-XJABCFGWSA-N 2 1 391.515 3.568 20 0 GHADMP COc1ccccc1C1(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246375573 1037332329 /nfs/dbraw/zinc/33/23/29/1037332329.db2.gz IMIFEXLYZVRHPV-TZIWHRDSSA-N 2 1 379.548 3.527 20 0 GHADMP c1ccc(-c2nnc3ccc(C[NH2+][C@H]4CC[NH2+]C5(CCCCC5)C4)cn32)cc1 ZINC001246384962 1037345354 /nfs/dbraw/zinc/34/53/54/1037345354.db2.gz CTVLKRFCRVIWDH-FQEVSTJZSA-N 2 1 375.520 3.941 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)C[NH2+]1 ZINC001246410646 1037365104 /nfs/dbraw/zinc/36/51/04/1037365104.db2.gz ILVZVOTYNDAUTN-MAUKXSAKSA-N 2 1 381.358 3.519 20 0 GHADMP COc1ccccc1CC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246419740 1037377460 /nfs/dbraw/zinc/37/74/60/1037377460.db2.gz IVOGCMHBVHAPLJ-DHIUTWEWSA-N 3 1 393.575 3.690 20 0 GHADMP C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246444135 1037405409 /nfs/dbraw/zinc/40/54/09/1037405409.db2.gz VRPVJEJTVFBWOS-UTRMSSBJSA-N 3 1 380.374 3.662 20 0 GHADMP C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246444135 1037405423 /nfs/dbraw/zinc/40/54/23/1037405423.db2.gz VRPVJEJTVFBWOS-UTRMSSBJSA-N 3 1 380.374 3.662 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246453521 1037413373 /nfs/dbraw/zinc/41/33/73/1037413373.db2.gz WQDYEYFXSVJAGC-CVEARBPZSA-N 2 1 398.469 3.996 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246453522 1037413799 /nfs/dbraw/zinc/41/37/99/1037413799.db2.gz WQDYEYFXSVJAGC-HOTGVXAUSA-N 2 1 398.469 3.996 20 0 GHADMP FC(F)(F)c1ccccc1C1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246454009 1037414611 /nfs/dbraw/zinc/41/46/11/1037414611.db2.gz ZJCNIKHWZUDAFF-QFBILLFUSA-N 2 1 381.486 3.796 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246503729 1037445434 /nfs/dbraw/zinc/44/54/34/1037445434.db2.gz LMKXBEBVIMAWBC-LDQXTDLNSA-N 2 1 376.903 3.946 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4CC[NH2+]CC4)C[C@@H]23)cc1 ZINC001246532396 1037466555 /nfs/dbraw/zinc/46/65/55/1037466555.db2.gz ZNFVCUXJVKGYIU-ISJGIBHGSA-N 2 1 375.560 3.657 20 0 GHADMP C[C@@H]1C[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CCC[C@@H]1C[NH3+] ZINC001246567460 1037483353 /nfs/dbraw/zinc/48/33/53/1037483353.db2.gz KVRYRQOEDNFHGG-HZPDHXFCSA-N 2 1 380.374 3.725 20 0 GHADMP c1ccc(C[C@@H]2CN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[NH2+]2)cc1 ZINC001246602752 1037498347 /nfs/dbraw/zinc/49/83/47/1037498347.db2.gz PISMRQWFLCPQNF-ZKGSSEMHSA-N 2 1 375.560 3.699 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246620021 1037511768 /nfs/dbraw/zinc/51/17/68/1037511768.db2.gz NGBBJLZNTAZQRV-NJEKYYFSSA-N 2 1 390.955 3.911 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246620021 1037511782 /nfs/dbraw/zinc/51/17/82/1037511782.db2.gz NGBBJLZNTAZQRV-NJEKYYFSSA-N 2 1 390.955 3.911 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCCC[C@@]34CC[NH2+]C4)CC[C@H]2C1 ZINC001246642760 1037524297 /nfs/dbraw/zinc/52/42/97/1037524297.db2.gz JMMZUQRKHXUKMW-YCSHWKNNSA-N 2 1 381.564 3.535 20 0 GHADMP C[C@H]1C[C@H](N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001246676372 1037543044 /nfs/dbraw/zinc/54/30/44/1037543044.db2.gz ZKVTXVQHSDLGFG-MNPDLOSFSA-N 2 1 375.560 3.729 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+](C3CCC(Cc4ccccc4)CC3)C[C@@H]1CC[NH2+]CC2 ZINC001246682480 1037546312 /nfs/dbraw/zinc/54/63/12/1037546312.db2.gz NTIRQWSBTRADIF-NBKJOAOTSA-N 2 1 384.564 3.653 20 0 GHADMP c1ccc(OC[C@@H]2CCC[C@@]23C[N@@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)nc1 ZINC001246706211 1037559688 /nfs/dbraw/zinc/55/96/88/1037559688.db2.gz CDGJTPKCXQUKQR-AWRGLXIESA-N 2 1 399.579 3.786 20 0 GHADMP c1ccc(OC[C@@H]2CCC[C@@]23C[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)nc1 ZINC001246706211 1037559707 /nfs/dbraw/zinc/55/97/07/1037559707.db2.gz CDGJTPKCXQUKQR-AWRGLXIESA-N 2 1 399.579 3.786 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)C[C@@H](CC)[NH2+]1 ZINC001246721972 1037572489 /nfs/dbraw/zinc/57/24/89/1037572489.db2.gz MCMLXPFZFPATNX-ZNTQHIFFSA-N 2 1 375.601 3.941 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2CCC[C@@]4(CC[NH2+]C4)C2)CCO3)c1 ZINC001246721764 1037572938 /nfs/dbraw/zinc/57/29/38/1037572938.db2.gz RGQGZZVMNDJVAQ-SMIHKQSGSA-N 2 1 383.580 3.589 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)CC[NH2+]2)cc1 ZINC001246722742 1037572988 /nfs/dbraw/zinc/57/29/88/1037572988.db2.gz IMZXVAHIELTFSY-FVEXOFTDSA-N 2 1 391.559 3.926 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([N@H+]3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)CC[NH2+]2)cc1 ZINC001246722746 1037573081 /nfs/dbraw/zinc/57/30/81/1037573081.db2.gz IMZXVAHIELTFSY-QENXHYHDSA-N 2 1 391.559 3.926 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC3)c1 ZINC001246740673 1037583894 /nfs/dbraw/zinc/58/38/94/1037583894.db2.gz NSBDMEMUOYYSAQ-FYYLOGMGSA-N 2 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC3)c1 ZINC001246740673 1037583900 /nfs/dbraw/zinc/58/39/00/1037583900.db2.gz NSBDMEMUOYYSAQ-FYYLOGMGSA-N 3 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC3)c1 ZINC001246740673 1037583913 /nfs/dbraw/zinc/58/39/13/1037583913.db2.gz NSBDMEMUOYYSAQ-FYYLOGMGSA-N 3 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCC4(C2)CC[NH2+]CC4)CC3)c1 ZINC001246744057 1037585018 /nfs/dbraw/zinc/58/50/18/1037585018.db2.gz YYFCMUPFIIAKTI-JOCHJYFZSA-N 3 1 397.607 3.905 20 0 GHADMP CCN1CC[C@@]2(C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001246748337 1037587459 /nfs/dbraw/zinc/58/74/59/1037587459.db2.gz UEPVWQNYPIRSIN-DKIVGPAJSA-N 2 1 395.591 3.637 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246750958 1037591307 /nfs/dbraw/zinc/59/13/07/1037591307.db2.gz ZXOXOUWOMBIDGS-LRGNLBRXSA-N 2 1 399.535 3.869 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246750958 1037591327 /nfs/dbraw/zinc/59/13/27/1037591327.db2.gz ZXOXOUWOMBIDGS-LRGNLBRXSA-N 2 1 399.535 3.869 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246755651 1037596004 /nfs/dbraw/zinc/59/60/04/1037596004.db2.gz QIARUZYNEUFGJE-MJCUULBUSA-N 2 1 378.564 3.968 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)CC[N@H+]3C2)cc1 ZINC001246763481 1037606322 /nfs/dbraw/zinc/60/63/22/1037606322.db2.gz CPCPGZDCTKWGKG-WMMXXEOUSA-N 2 1 391.559 3.626 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC[NH2+]1 ZINC001246762248 1037606357 /nfs/dbraw/zinc/60/63/57/1037606357.db2.gz YBQFOJNCAWUJRR-VVSUKSJXSA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC[NH2+]1 ZINC001246762248 1037606382 /nfs/dbraw/zinc/60/63/82/1037606382.db2.gz YBQFOJNCAWUJRR-VVSUKSJXSA-N 2 1 387.568 3.642 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246780741 1037620154 /nfs/dbraw/zinc/62/01/54/1037620154.db2.gz DFDZUNXLMZELKC-URXFXBBRSA-N 2 1 397.538 3.754 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)C[C@H](CC)[NH2+]1 ZINC001246782431 1037620594 /nfs/dbraw/zinc/62/05/94/1037620594.db2.gz ZXCYOLKFZLHCIB-VKDGWMQASA-N 2 1 383.580 3.942 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)C[C@H](CC)[NH2+]1 ZINC001246814254 1037647341 /nfs/dbraw/zinc/64/73/41/1037647341.db2.gz XJRWIBQCFLSJQU-KCOOYEKVSA-N 2 1 381.564 3.696 20 0 GHADMP [NH3+][C@@H]1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246822238 1037655868 /nfs/dbraw/zinc/65/58/68/1037655868.db2.gz WGFWZEGMQHJWMT-QERLCLQCSA-N 2 1 393.550 3.732 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)CC[NH2+]1 ZINC001246839870 1037669185 /nfs/dbraw/zinc/66/91/85/1037669185.db2.gz ZSBZHBYZZVABEV-XRXFAXGQSA-N 2 1 385.552 3.639 20 0 GHADMP c1ccc(CCN2CCC([N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246858291 1037680655 /nfs/dbraw/zinc/68/06/55/1037680655.db2.gz DZKDJMJVQRXZAJ-UHFFFAOYSA-N 2 1 389.587 3.831 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246858291 1037680667 /nfs/dbraw/zinc/68/06/67/1037680667.db2.gz DZKDJMJVQRXZAJ-UHFFFAOYSA-N 3 1 389.587 3.831 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246858291 1037680676 /nfs/dbraw/zinc/68/06/76/1037680676.db2.gz DZKDJMJVQRXZAJ-UHFFFAOYSA-N 3 1 389.587 3.831 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246879121 1037693811 /nfs/dbraw/zinc/69/38/11/1037693811.db2.gz LXDXNSUTKYGVTC-PNNLEQMGSA-N 2 1 389.587 3.901 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246879121 1037693817 /nfs/dbraw/zinc/69/38/17/1037693817.db2.gz LXDXNSUTKYGVTC-PNNLEQMGSA-N 3 1 389.587 3.901 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246879121 1037693824 /nfs/dbraw/zinc/69/38/24/1037693824.db2.gz LXDXNSUTKYGVTC-PNNLEQMGSA-N 3 1 389.587 3.901 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246879121 1037693849 /nfs/dbraw/zinc/69/38/49/1037693849.db2.gz LXDXNSUTKYGVTC-PNNLEQMGSA-N 3 1 389.587 3.901 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246879121 1037693861 /nfs/dbraw/zinc/69/38/61/1037693861.db2.gz LXDXNSUTKYGVTC-PNNLEQMGSA-N 3 1 389.587 3.901 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001246879121 1037693873 /nfs/dbraw/zinc/69/38/73/1037693873.db2.gz LXDXNSUTKYGVTC-PNNLEQMGSA-N 2 1 389.587 3.901 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001246879121 1037693887 /nfs/dbraw/zinc/69/38/87/1037693887.db2.gz LXDXNSUTKYGVTC-PNNLEQMGSA-N 2 1 389.587 3.901 20 0 GHADMP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001246892011 1037705766 /nfs/dbraw/zinc/70/57/66/1037705766.db2.gz FYMWJCHEAMFWQW-FGZHOGPDSA-N 2 1 389.660 3.627 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904234 1037714430 /nfs/dbraw/zinc/71/44/30/1037714430.db2.gz UQPRVJJDAWIMGX-HQRMLTQVSA-N 2 1 376.516 3.981 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904234 1037714448 /nfs/dbraw/zinc/71/44/48/1037714448.db2.gz UQPRVJJDAWIMGX-HQRMLTQVSA-N 2 1 376.516 3.981 20 0 GHADMP CN(C(=O)NCC1(CC2CC2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001246908823 1037719264 /nfs/dbraw/zinc/71/92/64/1037719264.db2.gz LJYBEBAUDLTOTD-RTWAWAEBSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246918153 1037722777 /nfs/dbraw/zinc/72/27/77/1037722777.db2.gz WUIZHVNVDRJJES-BCDXTJNWSA-N 2 1 378.358 3.553 20 0 GHADMP C[C@@H]1CC([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC001246937841 1037742507 /nfs/dbraw/zinc/74/25/07/1037742507.db2.gz NALSCQOFPLDPHO-HUUCEWRRSA-N 2 1 381.358 3.959 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246948797 1037753023 /nfs/dbraw/zinc/75/30/23/1037753023.db2.gz MDLWMPSMTUTODQ-NKKJXINNSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246948796 1037753756 /nfs/dbraw/zinc/75/37/56/1037753756.db2.gz MDLWMPSMTUTODQ-FGCOXFRFSA-N 2 1 378.564 3.689 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001246952236 1037755803 /nfs/dbraw/zinc/75/58/03/1037755803.db2.gz IOBKUCYHFCHMLK-FQUZAXHOSA-N 2 1 390.575 3.831 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246952455 1037756835 /nfs/dbraw/zinc/75/68/35/1037756835.db2.gz SSNHPJCFGUJTQU-WIYYLYMNSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246953665 1037758413 /nfs/dbraw/zinc/75/84/13/1037758413.db2.gz CHMJMFAOOIHESB-HKUYNNGSSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954572 1037762336 /nfs/dbraw/zinc/76/23/36/1037762336.db2.gz IGGSJABCCUMYDQ-IAGOWNOFSA-N 2 1 380.479 3.641 20 0 GHADMP Fc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001246957082 1037768767 /nfs/dbraw/zinc/76/87/67/1037768767.db2.gz YGMICVMGZZZVDG-UHFFFAOYSA-N 3 1 377.523 3.831 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)C1 ZINC001246960944 1037779440 /nfs/dbraw/zinc/77/94/40/1037779440.db2.gz FFDJSPCYXDIQHN-UTKZUKDTSA-N 2 1 376.516 3.810 20 0 GHADMP COc1cccc2c1C[C@@H]([N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1)CO2 ZINC001246966195 1037789301 /nfs/dbraw/zinc/78/93/01/1037789301.db2.gz VJLAPIYJBOPXEK-HXUWFJFHSA-N 2 1 384.495 3.700 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1)CO2 ZINC001246966195 1037789317 /nfs/dbraw/zinc/78/93/17/1037789317.db2.gz VJLAPIYJBOPXEK-HXUWFJFHSA-N 2 1 384.495 3.700 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH+]3CCC(Oc4ncnc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246976908 1037799926 /nfs/dbraw/zinc/79/99/26/1037799926.db2.gz WSHGVBKTBIACRH-WMZHIEFXSA-N 2 1 388.515 3.966 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCN[C@@H](c3ccc(F)cc3C)C2)C[C@H]1c1ccccc1 ZINC001246982215 1037806423 /nfs/dbraw/zinc/80/64/23/1037806423.db2.gz AZPSAAMNUHZPGP-CWKRKGSWSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@H]1c1ccccc1 ZINC001246982215 1037806442 /nfs/dbraw/zinc/80/64/42/1037806442.db2.gz AZPSAAMNUHZPGP-CWKRKGSWSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@H]1c1ccccc1 ZINC001246982215 1037806476 /nfs/dbraw/zinc/80/64/76/1037806476.db2.gz AZPSAAMNUHZPGP-CWKRKGSWSA-N 2 1 396.506 3.816 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1-c1ccccc1 ZINC001246991458 1037813716 /nfs/dbraw/zinc/81/37/16/1037813716.db2.gz SVDUYFHETWDEEY-KAKFPZCNSA-N 2 1 396.560 3.841 20 0 GHADMP COC(=O)[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000416 1037823355 /nfs/dbraw/zinc/82/33/55/1037823355.db2.gz MGYDGQOMPLKOJY-MLCQCVOFSA-N 2 1 378.516 3.586 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001232299347 1038041255 /nfs/dbraw/zinc/04/12/55/1038041255.db2.gz ASMUOZWHDUVRBN-NRFANRHFSA-N 2 1 384.520 3.682 20 0 GHADMP Fc1cc(-c2noc(CC[NH+]3CCCCC3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247416424 1038177407 /nfs/dbraw/zinc/17/74/07/1038177407.db2.gz MJGNCYSXEBYZKE-LJQANCHMSA-N 2 1 381.455 3.636 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396112 1038180453 /nfs/dbraw/zinc/18/04/53/1038180453.db2.gz KLDILNZVXDFLFN-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396112 1038180459 /nfs/dbraw/zinc/18/04/59/1038180459.db2.gz KLDILNZVXDFLFN-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396112 1038180467 /nfs/dbraw/zinc/18/04/67/1038180467.db2.gz KLDILNZVXDFLFN-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396112 1038180473 /nfs/dbraw/zinc/18/04/73/1038180473.db2.gz KLDILNZVXDFLFN-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396112 1038180478 /nfs/dbraw/zinc/18/04/78/1038180478.db2.gz KLDILNZVXDFLFN-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(C(F)(F)F)c1 ZINC001247905357 1038476553 /nfs/dbraw/zinc/47/65/53/1038476553.db2.gz NHMADNCBUALGBX-AWEZNQCLSA-N 2 1 394.441 3.995 20 0 GHADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]4CC[N@H+]4C4CCCCC4)n3)cc2)CC1 ZINC001248033421 1038548030 /nfs/dbraw/zinc/54/80/30/1038548030.db2.gz GVZXJYAJTNESQL-FQEVSTJZSA-N 2 1 381.524 3.568 20 0 GHADMP Cc1ncc(F)cc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001232987875 1038751889 /nfs/dbraw/zinc/75/18/89/1038751889.db2.gz FQRQUTINVXUTQQ-QFIPXVFZSA-N 2 1 383.511 3.785 20 0 GHADMP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cn1 ZINC001233006100 1038766327 /nfs/dbraw/zinc/76/63/27/1038766327.db2.gz NPLDVAQPCXZLBI-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cn1 ZINC001233006100 1038766335 /nfs/dbraw/zinc/76/63/35/1038766335.db2.gz NPLDVAQPCXZLBI-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cn1 ZINC001233006100 1038766342 /nfs/dbraw/zinc/76/63/42/1038766342.db2.gz NPLDVAQPCXZLBI-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cn1 ZINC001233006100 1038766349 /nfs/dbraw/zinc/76/63/49/1038766349.db2.gz NPLDVAQPCXZLBI-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP CCc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001462310539 1070160722 /nfs/dbraw/zinc/16/07/22/1070160722.db2.gz CULVQOYDGUODTG-QRFRQXIXSA-N 2 1 375.557 3.887 20 0 GHADMP Cc1nnc([C@H]2CC[N@@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317853 1070165419 /nfs/dbraw/zinc/16/54/19/1070165419.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1nnc([C@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317853 1070165427 /nfs/dbraw/zinc/16/54/27/1070165427.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1nnc([C@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317853 1070165432 /nfs/dbraw/zinc/16/54/32/1070165432.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@H]2CC[N@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001462317853 1070165442 /nfs/dbraw/zinc/16/54/42/1070165442.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@H]2CC[N@@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001462317853 1070165448 /nfs/dbraw/zinc/16/54/48/1070165448.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001462317853 1070165457 /nfs/dbraw/zinc/16/54/57/1070165457.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001462317853 1070165463 /nfs/dbraw/zinc/16/54/63/1070165463.db2.gz YKQYOWNREAAWOH-NZQKXSOJSA-N 2 1 381.568 3.841 20 0 GHADMP C[NH+]1CCC(C2CC[NH+](Cc3c4c(ccc3Br)OCO4)CC2)CC1 ZINC001233143335 1038921664 /nfs/dbraw/zinc/92/16/64/1038921664.db2.gz BFUWVBSXGQBRMB-UHFFFAOYSA-N 2 1 395.341 3.732 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)ccc1Cl ZINC001278670826 1039023187 /nfs/dbraw/zinc/02/31/87/1039023187.db2.gz QSHHCKHWMPHRPW-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP COc1c(O)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001233256624 1039025824 /nfs/dbraw/zinc/02/58/24/1039025824.db2.gz LVINBKDCEJOSNQ-YYWHXJBOSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001233256624 1039025841 /nfs/dbraw/zinc/02/58/41/1039025841.db2.gz LVINBKDCEJOSNQ-YYWHXJBOSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001233256624 1039025860 /nfs/dbraw/zinc/02/58/60/1039025860.db2.gz LVINBKDCEJOSNQ-YYWHXJBOSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001233256624 1039025880 /nfs/dbraw/zinc/02/58/80/1039025880.db2.gz LVINBKDCEJOSNQ-YYWHXJBOSA-N 2 1 381.520 3.528 20 0 GHADMP COCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281195 1039055132 /nfs/dbraw/zinc/05/51/32/1039055132.db2.gz RAYFBRCTXRTMOD-TUACAJSNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281195 1039055148 /nfs/dbraw/zinc/05/51/48/1039055148.db2.gz RAYFBRCTXRTMOD-TUACAJSNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281195 1039055164 /nfs/dbraw/zinc/05/51/64/1039055164.db2.gz RAYFBRCTXRTMOD-TUACAJSNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281195 1039055182 /nfs/dbraw/zinc/05/51/82/1039055182.db2.gz RAYFBRCTXRTMOD-TUACAJSNSA-N 2 1 395.547 3.797 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@@H]3C2)cc1 ZINC001233292600 1039079892 /nfs/dbraw/zinc/07/98/92/1039079892.db2.gz REKYXNKWCJOMRI-PMACEKPBSA-N 2 1 389.499 3.518 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252757956 1039141103 /nfs/dbraw/zinc/14/11/03/1039141103.db2.gz JUHSBSVQNUXKGG-NRFANRHFSA-N 2 1 376.585 3.920 20 0 GHADMP O[C@]1(C[NH+]2CCC3(CCc4ccccc43)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252923987 1039262853 /nfs/dbraw/zinc/26/28/53/1039262853.db2.gz USBQOQCHAVCKPO-VWLOTQADSA-N 2 1 376.544 3.603 20 0 GHADMP O[C@]1(C[NH+]2CCC3(CCc4ccccc43)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252923987 1039262869 /nfs/dbraw/zinc/26/28/69/1039262869.db2.gz USBQOQCHAVCKPO-VWLOTQADSA-N 2 1 376.544 3.603 20 0 GHADMP COc1cccc([C@H]2CCCC[N@@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001252929692 1039265422 /nfs/dbraw/zinc/26/54/22/1039265422.db2.gz IGIIWKCMMLNASJ-DNQXCXABSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@H]2CCCC[N@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001252929692 1039265436 /nfs/dbraw/zinc/26/54/36/1039265436.db2.gz IGIIWKCMMLNASJ-DNQXCXABSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@H]2CCCC[NH+]2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252929692 1039265445 /nfs/dbraw/zinc/26/54/45/1039265445.db2.gz IGIIWKCMMLNASJ-DNQXCXABSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@H]2CCCC[NH+]2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001252929692 1039265457 /nfs/dbraw/zinc/26/54/57/1039265457.db2.gz IGIIWKCMMLNASJ-DNQXCXABSA-N 2 1 380.532 3.859 20 0 GHADMP O[C@@]1(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001252932497 1039269829 /nfs/dbraw/zinc/26/98/29/1039269829.db2.gz STWGQSNULPRDFB-LADGPHEKSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@]1(C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001252932497 1039269833 /nfs/dbraw/zinc/26/98/33/1039269833.db2.gz STWGQSNULPRDFB-LADGPHEKSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932497 1039269845 /nfs/dbraw/zinc/26/98/45/1039269845.db2.gz STWGQSNULPRDFB-LADGPHEKSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932497 1039269856 /nfs/dbraw/zinc/26/98/56/1039269856.db2.gz STWGQSNULPRDFB-LADGPHEKSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(CNc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252938337 1039280660 /nfs/dbraw/zinc/28/06/60/1039280660.db2.gz VVAUKVPPSSDOIZ-DEOSSOPVSA-N 2 1 379.548 3.721 20 0 GHADMP Cc1ccc2c(C[C@@H](C)[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001252949146 1039293777 /nfs/dbraw/zinc/29/37/77/1039293777.db2.gz HWICKRPORMYLIZ-DVECYGJZSA-N 2 1 377.532 3.634 20 0 GHADMP Cc1ccc2c(C[C@@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001252949146 1039293790 /nfs/dbraw/zinc/29/37/90/1039293790.db2.gz HWICKRPORMYLIZ-DVECYGJZSA-N 2 1 377.532 3.634 20 0 GHADMP O[C@]1(C[NH2+]C2(CC3CC3)CCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252953742 1039297180 /nfs/dbraw/zinc/29/71/80/1039297180.db2.gz OSBUUPVFRINSME-NRFANRHFSA-N 2 1 378.507 3.961 20 0 GHADMP O[C@]1(C[NH2+]C2(CC3CC3)CCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252953742 1039297188 /nfs/dbraw/zinc/29/71/88/1039297188.db2.gz OSBUUPVFRINSME-NRFANRHFSA-N 2 1 378.507 3.961 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001253003107 1039331258 /nfs/dbraw/zinc/33/12/58/1039331258.db2.gz ZVFBTWXAAMMRLC-RBBKRZOGSA-N 2 1 380.617 3.921 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001253003107 1039331274 /nfs/dbraw/zinc/33/12/74/1039331274.db2.gz ZVFBTWXAAMMRLC-RBBKRZOGSA-N 2 1 380.617 3.921 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001253822286 1039827512 /nfs/dbraw/zinc/82/75/12/1039827512.db2.gz HKAYKXPOIPZFND-NZQKXSOJSA-N 2 1 398.547 3.704 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC001254033820 1039966353 /nfs/dbraw/zinc/96/63/53/1039966353.db2.gz AAYFCNQTGSVQCI-VXKWHMMOSA-N 2 1 388.600 3.750 20 0 GHADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254260468 1040106376 /nfs/dbraw/zinc/10/63/76/1040106376.db2.gz CAIJWLSWODKOKP-LJQANCHMSA-N 2 1 393.572 3.641 20 0 GHADMP CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001254421001 1040221578 /nfs/dbraw/zinc/22/15/78/1040221578.db2.gz WSLMXRBLXGHPDD-DQEYMECFSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Br)CCOCC2)CC1 ZINC001254512653 1040290948 /nfs/dbraw/zinc/29/09/48/1040290948.db2.gz PWCCXUMJAPRKBU-QGZVFWFLSA-N 2 1 381.358 3.615 20 0 GHADMP C[N@@H+]1CCC[C@@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001254533649 1040305874 /nfs/dbraw/zinc/30/58/74/1040305874.db2.gz OLBTVBPVUGTPPF-JOCHJYFZSA-N 2 1 379.548 3.872 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001254533649 1040305884 /nfs/dbraw/zinc/30/58/84/1040305884.db2.gz OLBTVBPVUGTPPF-JOCHJYFZSA-N 2 1 379.548 3.872 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)c2)cc1 ZINC001234988088 1040482675 /nfs/dbraw/zinc/48/26/75/1040482675.db2.gz KQWUJELJPRQYOG-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)s1 ZINC001234991419 1040485691 /nfs/dbraw/zinc/48/56/91/1040485691.db2.gz FRGPNZJKZPEXGY-LJQANCHMSA-N 2 1 377.941 3.951 20 0 GHADMP Clc1ncc(COc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)s1 ZINC001234991419 1040485696 /nfs/dbraw/zinc/48/56/96/1040485696.db2.gz FRGPNZJKZPEXGY-LJQANCHMSA-N 2 1 377.941 3.951 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023300 1040516084 /nfs/dbraw/zinc/51/60/84/1040516084.db2.gz UWZAJEVNISNULY-DEOSSOPVSA-N 2 1 395.547 3.665 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023300 1040516101 /nfs/dbraw/zinc/51/61/01/1040516101.db2.gz UWZAJEVNISNULY-DEOSSOPVSA-N 2 1 395.547 3.665 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3C[C@H]4C[NH+](Cc5ccc(C)cc5)C[C@@H]4C3)cc2)o1 ZINC001235049901 1040543098 /nfs/dbraw/zinc/54/30/98/1040543098.db2.gz UAJOWZXKRQLQQF-DHIUTWEWSA-N 2 1 388.515 3.917 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793975 1040554838 /nfs/dbraw/zinc/55/48/38/1040554838.db2.gz UATSUGMYOSYLEZ-PKOBYXMFSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793975 1040554853 /nfs/dbraw/zinc/55/48/53/1040554853.db2.gz UATSUGMYOSYLEZ-PKOBYXMFSA-N 2 1 379.589 3.876 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235075599 1040564184 /nfs/dbraw/zinc/56/41/84/1040564184.db2.gz QMFAOJSWECKDSJ-SFHVURJKSA-N 2 1 378.442 3.830 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@H+]1Cc3ccccc3C[C@H]1CN)CC2 ZINC001254875996 1040621275 /nfs/dbraw/zinc/62/12/75/1040621275.db2.gz SZJREQUHOMXJLK-DQBMGFJSSA-N 2 1 399.579 3.942 20 0 GHADMP COc1ccc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1Br ZINC001235153153 1040645133 /nfs/dbraw/zinc/64/51/33/1040645133.db2.gz FOKUSQREOXPVBO-MRXNPFEDSA-N 2 1 385.321 3.951 20 0 GHADMP CC(C)C[N@@H+]([C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254904433 1040658723 /nfs/dbraw/zinc/65/87/23/1040658723.db2.gz ZIRFMAOGTPTNSI-YCKXBTPASA-N 2 1 379.589 3.860 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254911234 1040661844 /nfs/dbraw/zinc/66/18/44/1040661844.db2.gz OLAYIKRMWXBHKF-PMOLBWCYSA-N 2 1 379.589 3.684 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254917064 1040666398 /nfs/dbraw/zinc/66/63/98/1040666398.db2.gz QYDCOWMHHGYHGZ-RUYXUALKSA-N 2 1 379.589 3.828 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@@H]4CC(=O)C[C@H]4C2)CC3)c1 ZINC001254952659 1040688012 /nfs/dbraw/zinc/68/80/12/1040688012.db2.gz MIFJWYVVBSIKJE-WOJBJXKFSA-N 2 1 382.548 3.741 20 0 GHADMP COc1ccc(Br)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1F ZINC001235236643 1040715357 /nfs/dbraw/zinc/71/53/57/1040715357.db2.gz GJFPMWFTEIZSNQ-MRXNPFEDSA-N 2 1 385.321 3.951 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([NH2+]C3Cc4ccccc4C3)CC2)CC1 ZINC001255011926 1040728110 /nfs/dbraw/zinc/72/81/10/1040728110.db2.gz HAABPMJCWHNGQP-UHFFFAOYSA-N 2 1 399.579 3.607 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022235 1040734256 /nfs/dbraw/zinc/73/42/56/1040734256.db2.gz FBCZDKJMWVMANT-XMMPIXPASA-N 2 1 376.544 3.909 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3CN([C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112308 1040797144 /nfs/dbraw/zinc/79/71/44/1040797144.db2.gz KMWMOWRDEGLVPK-SDHSZQHLSA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@H]4CCN(Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112308 1040797161 /nfs/dbraw/zinc/79/71/61/1040797161.db2.gz KMWMOWRDEGLVPK-SDHSZQHLSA-N 2 1 375.560 3.633 20 0 GHADMP Brc1ccc(Br)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235334957 1040803512 /nfs/dbraw/zinc/80/35/12/1040803512.db2.gz JBXCYBIWHUAEGH-UHFFFAOYSA-N 2 1 388.147 3.643 20 0 GHADMP [NH3+][C@H](CO)Cc1cn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc12 ZINC001255125955 1040818124 /nfs/dbraw/zinc/81/81/24/1040818124.db2.gz IJSMJQNBPKFPRZ-MYDTUXCISA-N 2 1 389.543 3.872 20 0 GHADMP O=C1CCC2(CCC(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)N1 ZINC001255128103 1040819287 /nfs/dbraw/zinc/81/92/87/1040819287.db2.gz LHOSSRKJNIPFSC-GCXYMXROSA-N 2 1 381.564 3.611 20 0 GHADMP CCC(CC)C(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255130664 1040825322 /nfs/dbraw/zinc/82/53/22/1040825322.db2.gz HBTJFJWAGYSUBP-ODAXIHTASA-N 2 1 383.580 3.809 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1 ZINC001235356486 1040835478 /nfs/dbraw/zinc/83/54/78/1040835478.db2.gz YKLMWUUQQTTZOX-ZJSXRUAMSA-N 2 1 389.499 3.534 20 0 GHADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136594 1040840427 /nfs/dbraw/zinc/84/04/27/1040840427.db2.gz MLUURPKXGRJGJB-LCWAXJCOSA-N 2 1 382.470 3.817 20 0 GHADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136594 1040840448 /nfs/dbraw/zinc/84/04/48/1040840448.db2.gz MLUURPKXGRJGJB-LCWAXJCOSA-N 2 1 382.470 3.817 20 0 GHADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136594 1040840467 /nfs/dbraw/zinc/84/04/67/1040840467.db2.gz MLUURPKXGRJGJB-LCWAXJCOSA-N 2 1 382.470 3.817 20 0 GHADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136594 1040840484 /nfs/dbraw/zinc/84/04/84/1040840484.db2.gz MLUURPKXGRJGJB-LCWAXJCOSA-N 2 1 382.470 3.817 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142143 1040851507 /nfs/dbraw/zinc/85/15/07/1040851507.db2.gz PRKGLQVGGNKQEB-XETXSBNLSA-N 2 1 397.563 3.876 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CC[C@]4(C[C@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142053 1040851775 /nfs/dbraw/zinc/85/17/75/1040851775.db2.gz FREMXEXHBSDGOS-QVXKZJQXSA-N 2 1 396.575 3.842 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@]4(C[C@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142053 1040851790 /nfs/dbraw/zinc/85/17/90/1040851790.db2.gz FREMXEXHBSDGOS-QVXKZJQXSA-N 2 1 396.575 3.842 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255142421 1040852155 /nfs/dbraw/zinc/85/21/55/1040852155.db2.gz QMOQOKRQTBMLPK-DCIKREJASA-N 2 1 397.563 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255142421 1040852162 /nfs/dbraw/zinc/85/21/62/1040852162.db2.gz QMOQOKRQTBMLPK-DCIKREJASA-N 2 1 397.563 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255142421 1040852170 /nfs/dbraw/zinc/85/21/70/1040852170.db2.gz QMOQOKRQTBMLPK-DCIKREJASA-N 2 1 397.563 3.781 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255143579 1040853408 /nfs/dbraw/zinc/85/34/08/1040853408.db2.gz NLKKAXLILNIUKC-UEQSERJNSA-N 2 1 381.564 3.659 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255143579 1040853422 /nfs/dbraw/zinc/85/34/22/1040853422.db2.gz NLKKAXLILNIUKC-UEQSERJNSA-N 2 1 381.564 3.659 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255143579 1040853430 /nfs/dbraw/zinc/85/34/30/1040853430.db2.gz NLKKAXLILNIUKC-UEQSERJNSA-N 2 1 381.564 3.659 20 0 GHADMP FC1(F)CC[NH+](C2CN([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)CC1 ZINC001255146022 1040857362 /nfs/dbraw/zinc/85/73/62/1040857362.db2.gz ZAWOEAJXSYKEFE-ACDBMABISA-N 2 1 375.507 3.597 20 0 GHADMP FC1(F)CC[NH+](C2CN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)CC1 ZINC001255146022 1040857372 /nfs/dbraw/zinc/85/73/72/1040857372.db2.gz ZAWOEAJXSYKEFE-ACDBMABISA-N 2 1 375.507 3.597 20 0 GHADMP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369896 1040874110 /nfs/dbraw/zinc/87/41/10/1040874110.db2.gz NMQYLJQJJITUEN-GBXCKJPGSA-N 2 1 380.532 3.765 20 0 GHADMP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369896 1040874126 /nfs/dbraw/zinc/87/41/26/1040874126.db2.gz NMQYLJQJJITUEN-GBXCKJPGSA-N 2 1 380.532 3.765 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255189771 1040896857 /nfs/dbraw/zinc/89/68/57/1040896857.db2.gz WEDGILJKMULNEU-YVMUJHKSSA-N 2 1 397.563 3.924 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1 ZINC001235378736 1040897485 /nfs/dbraw/zinc/89/74/85/1040897485.db2.gz JEALBLWEWHHYDN-BGWNEDDSSA-N 2 1 377.532 3.716 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235408608 1040920069 /nfs/dbraw/zinc/92/00/69/1040920069.db2.gz UVZMSEMLQREFEL-XZOQPEGZSA-N 2 1 383.511 3.987 20 0 GHADMP COc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC001235422437 1040925166 /nfs/dbraw/zinc/92/51/66/1040925166.db2.gz DCEFMSVMCGOHMU-KGLIPLIRSA-N 2 1 385.321 3.808 20 0 GHADMP Brc1cnc2[nH]cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235424318 1040926623 /nfs/dbraw/zinc/92/66/23/1040926623.db2.gz GVXMKUBEIIYPJD-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1cc2[nH]cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235427665 1040928993 /nfs/dbraw/zinc/92/89/93/1040928993.db2.gz NVBUGXCICADWHQ-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Clc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429804 1040930690 /nfs/dbraw/zinc/93/06/90/1040930690.db2.gz RMAKSEUUABDQPP-JKSUJKDBSA-N 2 1 383.005 3.998 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc(F)c1F ZINC001235443976 1040941305 /nfs/dbraw/zinc/94/13/05/1040941305.db2.gz SDYXZRYTHYQRLA-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc(F)c1F ZINC001235443976 1040941322 /nfs/dbraw/zinc/94/13/22/1040941322.db2.gz SDYXZRYTHYQRLA-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C[C@@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC001235483967 1040955727 /nfs/dbraw/zinc/95/57/27/1040955727.db2.gz UVLVROQRVVRAMN-GMAHTHKFSA-N 2 1 379.548 3.671 20 0 GHADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1Cc3ccccc3CN1)CC2 ZINC001235483967 1040955737 /nfs/dbraw/zinc/95/57/37/1040955737.db2.gz UVLVROQRVVRAMN-GMAHTHKFSA-N 2 1 379.548 3.671 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H]1Cc3ccccc3CN1)CC2 ZINC001235483967 1040955740 /nfs/dbraw/zinc/95/57/40/1040955740.db2.gz UVLVROQRVVRAMN-GMAHTHKFSA-N 2 1 379.548 3.671 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001235481863 1040955931 /nfs/dbraw/zinc/95/59/31/1040955931.db2.gz GUAYRADJNHOKFD-QHCPKHFHSA-N 3 1 379.548 3.802 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001255359411 1040961926 /nfs/dbraw/zinc/96/19/26/1040961926.db2.gz BMBACBPKYUQKBC-LEWJYISDSA-N 2 1 399.579 3.880 20 0 GHADMP c1ccc(OC[C@@]23CCCO[C@H]2CC[N@@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235519639 1040973305 /nfs/dbraw/zinc/97/33/05/1040973305.db2.gz MTSAPDNXIKMZMJ-GMAHTHKFSA-N 2 1 387.568 3.644 20 0 GHADMP c1ccc(OC[C@@]23CCCO[C@H]2CC[N@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235519639 1040973311 /nfs/dbraw/zinc/97/33/11/1040973311.db2.gz MTSAPDNXIKMZMJ-GMAHTHKFSA-N 2 1 387.568 3.644 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(c2)CC[NH2+]C4)CC3)c1 ZINC001235525675 1040975519 /nfs/dbraw/zinc/97/55/19/1040975519.db2.gz KTLUIDFSQPXCHC-UHFFFAOYSA-N 3 1 381.589 3.882 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001255388735 1040976929 /nfs/dbraw/zinc/97/69/29/1040976929.db2.gz GZEQMSGNBNTTEE-IRLDBZIGSA-N 2 1 382.504 3.641 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001255388735 1040976930 /nfs/dbraw/zinc/97/69/30/1040976930.db2.gz GZEQMSGNBNTTEE-IRLDBZIGSA-N 2 1 382.504 3.641 20 0 GHADMP CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389830 1040977895 /nfs/dbraw/zinc/97/78/95/1040977895.db2.gz UIFQZUNJYMEXCS-VQTJNVASSA-N 2 1 375.557 3.934 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391676 1040980589 /nfs/dbraw/zinc/98/05/89/1040980589.db2.gz BFVCYFLWTYFOKF-JTHBVZDNSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391676 1040980595 /nfs/dbraw/zinc/98/05/95/1040980595.db2.gz BFVCYFLWTYFOKF-JTHBVZDNSA-N 2 1 396.531 3.944 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255393214 1040981613 /nfs/dbraw/zinc/98/16/13/1040981613.db2.gz MKYQDHSAXILMGP-RPWUZVMVSA-N 2 1 391.559 3.936 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001255400925 1040987283 /nfs/dbraw/zinc/98/72/83/1040987283.db2.gz DYUHWHBVBQLKMP-CBPXPLCBSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CCC[N@H+](Cc4ccccc4)CC3)O2)n1 ZINC001255400925 1040987287 /nfs/dbraw/zinc/98/72/87/1040987287.db2.gz DYUHWHBVBQLKMP-CBPXPLCBSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CCC[N@@H+](Cc4ccccc4)CC3)O2)n1 ZINC001255400925 1040987288 /nfs/dbraw/zinc/98/72/88/1040987288.db2.gz DYUHWHBVBQLKMP-CBPXPLCBSA-N 2 1 396.535 3.727 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255402638 1040989438 /nfs/dbraw/zinc/98/94/38/1040989438.db2.gz KUUIUKZZVUOWGQ-PKTZIBPZSA-N 2 1 386.580 3.806 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402638 1040989441 /nfs/dbraw/zinc/98/94/41/1040989441.db2.gz KUUIUKZZVUOWGQ-PKTZIBPZSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255403620 1040990708 /nfs/dbraw/zinc/99/07/08/1040990708.db2.gz STVCATSFPAHREC-JOCHJYFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255403620 1040990711 /nfs/dbraw/zinc/99/07/11/1040990711.db2.gz STVCATSFPAHREC-JOCHJYFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255403620 1040990714 /nfs/dbraw/zinc/99/07/14/1040990714.db2.gz STVCATSFPAHREC-JOCHJYFZSA-N 2 1 395.595 3.594 20 0 GHADMP Cc1cccc(CN2CC[C@@]3(CC[N@@H+](CCC[NH2+]C4CCCCC4)C3)C2=O)c1 ZINC001235568674 1040993344 /nfs/dbraw/zinc/99/33/44/1040993344.db2.gz GOGFBZHLLHAKBX-XMMPIXPASA-N 2 1 383.580 3.732 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001255408666 1040994426 /nfs/dbraw/zinc/99/44/26/1040994426.db2.gz AMVIHNUIWGYMCI-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255408666 1040994427 /nfs/dbraw/zinc/99/44/27/1040994427.db2.gz AMVIHNUIWGYMCI-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255408666 1040994428 /nfs/dbraw/zinc/99/44/28/1040994428.db2.gz AMVIHNUIWGYMCI-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP FC(F)(F)c1nn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1C[NH2+]CC2 ZINC001255408539 1040994452 /nfs/dbraw/zinc/99/44/52/1040994452.db2.gz NHEQTUSJODIMJL-MRXNPFEDSA-N 2 1 378.442 3.775 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408877 1040996201 /nfs/dbraw/zinc/99/62/01/1040996201.db2.gz DMZJPIVAMGNRJL-QHAWAJNXSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408877 1040996214 /nfs/dbraw/zinc/99/62/14/1040996214.db2.gz DMZJPIVAMGNRJL-QHAWAJNXSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408877 1040996215 /nfs/dbraw/zinc/99/62/15/1040996215.db2.gz DMZJPIVAMGNRJL-QHAWAJNXSA-N 2 1 385.552 3.592 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255408817 1040996617 /nfs/dbraw/zinc/99/66/17/1040996617.db2.gz BZTLDXNXWGROPD-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255408817 1040996621 /nfs/dbraw/zinc/99/66/21/1040996621.db2.gz BZTLDXNXWGROPD-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255408817 1040996636 /nfs/dbraw/zinc/99/66/36/1040996636.db2.gz BZTLDXNXWGROPD-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](N3CC[NH+]4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409534 1040996911 /nfs/dbraw/zinc/99/69/11/1040996911.db2.gz ZTIDESJOJYQOFW-ZCYQVOJMSA-N 2 1 375.560 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409534 1040996912 /nfs/dbraw/zinc/99/69/12/1040996912.db2.gz ZTIDESJOJYQOFW-ZCYQVOJMSA-N 2 1 375.560 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](N3CC[N@H+]4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409534 1040996913 /nfs/dbraw/zinc/99/69/13/1040996913.db2.gz ZTIDESJOJYQOFW-ZCYQVOJMSA-N 2 1 375.560 3.956 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(C[C@@H]([NH3+])c2ccccc2)CC3)c1 ZINC001235590856 1041001636 /nfs/dbraw/zinc/00/16/36/1041001636.db2.gz GDUMYHGLLXPZBX-HSZRJFAPSA-N 2 1 379.548 3.683 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H](N)c2ccccc2)CC3)c1 ZINC001235590856 1041001671 /nfs/dbraw/zinc/00/16/71/1041001671.db2.gz GDUMYHGLLXPZBX-HSZRJFAPSA-N 2 1 379.548 3.683 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H](N)c2ccccc2)CC3)c1 ZINC001235590856 1041001693 /nfs/dbraw/zinc/00/16/93/1041001693.db2.gz GDUMYHGLLXPZBX-HSZRJFAPSA-N 2 1 379.548 3.683 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccc5n4CC[NH2+]C5)CC3)C2)cc1 ZINC001235597584 1041010178 /nfs/dbraw/zinc/01/01/78/1041010178.db2.gz QUPGFEWNFLXBCL-UHFFFAOYSA-N 3 1 392.591 3.778 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4ccc5n4CC[NH2+]C5)CC3)C2)cc1 ZINC001235597584 1041010205 /nfs/dbraw/zinc/01/02/05/1041010205.db2.gz QUPGFEWNFLXBCL-UHFFFAOYSA-N 2 1 392.591 3.778 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4ccc5n4CC[NH2+]C5)CC3)C2)cc1 ZINC001235597584 1041010252 /nfs/dbraw/zinc/01/02/52/1041010252.db2.gz QUPGFEWNFLXBCL-UHFFFAOYSA-N 2 1 392.591 3.778 20 0 GHADMP Cc1cc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)n(-c2cc[nH+]cc2)n1 ZINC001255468132 1041069342 /nfs/dbraw/zinc/06/93/42/1041069342.db2.gz DDGJRMXYDIQPNR-SFHVURJKSA-N 2 1 386.459 3.615 20 0 GHADMP Cc1cc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)n(-c2cc[nH+]cc2)n1 ZINC001255468132 1041069381 /nfs/dbraw/zinc/06/93/81/1041069381.db2.gz DDGJRMXYDIQPNR-SFHVURJKSA-N 2 1 386.459 3.615 20 0 GHADMP CN1CCC[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255478630 1041078428 /nfs/dbraw/zinc/07/84/28/1041078428.db2.gz WRTXZUPYLBFDHC-FHWLQOOXSA-N 2 1 380.374 3.615 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235645364 1041084156 /nfs/dbraw/zinc/08/41/56/1041084156.db2.gz UTHNWSFQYBMDCB-RZXSNQJFSA-N 2 1 378.507 3.589 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235645364 1041084183 /nfs/dbraw/zinc/08/41/83/1041084183.db2.gz UTHNWSFQYBMDCB-RZXSNQJFSA-N 2 1 378.507 3.589 20 0 GHADMP COc1cc(C)c(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(C)c1 ZINC001235647649 1041090974 /nfs/dbraw/zinc/09/09/74/1041090974.db2.gz XOXWPXITYMSWML-UHFFFAOYSA-N 2 1 382.552 3.947 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](C[C@@H]4Cc5ccccc5CN4)C3)CC2)cc1 ZINC001235694780 1041171298 /nfs/dbraw/zinc/17/12/98/1041171298.db2.gz UFNUTNIWVTYMFK-DEOSSOPVSA-N 2 1 375.560 3.689 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4Cc5ccccc5CN4)C3)CC2)cc1 ZINC001235694780 1041171304 /nfs/dbraw/zinc/17/13/04/1041171304.db2.gz UFNUTNIWVTYMFK-DEOSSOPVSA-N 2 1 375.560 3.689 20 0 GHADMP COc1c(Br)cc(F)cc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702081 1041181503 /nfs/dbraw/zinc/18/15/03/1041181503.db2.gz IXTOBDOIKMEPKT-UHFFFAOYSA-N 2 1 385.321 3.808 20 0 GHADMP CC(C)Oc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(Br)cn1 ZINC001235702045 1041182289 /nfs/dbraw/zinc/18/22/89/1041182289.db2.gz HRILTTNUFJLQJD-UHFFFAOYSA-N 2 1 396.373 3.843 20 0 GHADMP C[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001255632824 1041183025 /nfs/dbraw/zinc/18/30/25/1041183025.db2.gz FKXQWUKLAGDWME-AWEZNQCLSA-N 2 1 393.494 3.781 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001235712635 1041195116 /nfs/dbraw/zinc/19/51/16/1041195116.db2.gz MNHZHRAOASYHBB-UHFFFAOYSA-N 3 1 388.559 3.841 20 0 GHADMP Clc1ccc(Cn2cc(C[N@@H+]3CCCC4(C[NH2+]C4)C3)c3ccccc32)cn1 ZINC001235710823 1041195231 /nfs/dbraw/zinc/19/52/31/1041195231.db2.gz GQAIBOWCIKEKNM-UHFFFAOYSA-N 2 1 380.923 3.923 20 0 GHADMP Clc1ccc(Cn2cc(C[N@H+]3CCCC4(C[NH2+]C4)C3)c3ccccc32)cn1 ZINC001235710823 1041195241 /nfs/dbraw/zinc/19/52/41/1041195241.db2.gz GQAIBOWCIKEKNM-UHFFFAOYSA-N 2 1 380.923 3.923 20 0 GHADMP c1c(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235749128 1041235814 /nfs/dbraw/zinc/23/58/14/1041235814.db2.gz IARIGGQCHWXNKW-FQEVSTJZSA-N 2 1 378.545 3.896 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255844835 1041337739 /nfs/dbraw/zinc/33/77/39/1041337739.db2.gz LWVPJXWIEWJTTI-SIKLNZKXSA-N 2 1 397.538 3.907 20 0 GHADMP C[N@@H+](CCc1cccc(Cl)c1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235839034 1041365642 /nfs/dbraw/zinc/36/56/42/1041365642.db2.gz HLOWYLYAMUPRMQ-UHFFFAOYSA-N 2 1 383.927 3.524 20 0 GHADMP O=C(c1ccc(Br)cc1)C1CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235841465 1041367520 /nfs/dbraw/zinc/36/75/20/1041367520.db2.gz ZHNZHVYZSHXHIQ-GOSISDBHSA-N 2 1 379.342 3.876 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001255873373 1041368294 /nfs/dbraw/zinc/36/82/94/1041368294.db2.gz PETVMCIIWIFKAD-FQEVSTJZSA-N 2 1 397.538 3.766 20 0 GHADMP Clc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c(Cl)c1 ZINC001235867786 1041401619 /nfs/dbraw/zinc/40/16/19/1041401619.db2.gz UFGWTFIIDCEREU-UHFFFAOYSA-N 2 1 376.331 3.961 20 0 GHADMP Clc1ccc2nc(N3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)CC3)sc2c1 ZINC001235883887 1041411608 /nfs/dbraw/zinc/41/16/08/1041411608.db2.gz AVHHZPFDYILJED-HNNXBMFYSA-N 2 1 378.973 3.852 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2cc(C(=O)OC)c(-c3ccoc3)nc2CC1 ZINC001255959446 1041439030 /nfs/dbraw/zinc/43/90/30/1041439030.db2.gz LTADNGBESGRUGU-KRWDZBQOSA-N 2 1 399.535 3.649 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2cc(C(=O)OC)c(-c3ccoc3)nc2CC1 ZINC001255959446 1041439051 /nfs/dbraw/zinc/43/90/51/1041439051.db2.gz LTADNGBESGRUGU-KRWDZBQOSA-N 2 1 399.535 3.649 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255962613 1041442808 /nfs/dbraw/zinc/44/28/08/1041442808.db2.gz XKTXMIYLGTVCKU-LJQANCHMSA-N 2 1 391.600 3.720 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)n2)cc1 ZINC001235937146 1041443128 /nfs/dbraw/zinc/44/31/28/1041443128.db2.gz IAIFHOMWEXDRCG-JKSUJKDBSA-N 2 1 377.410 3.689 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001255963472 1041445221 /nfs/dbraw/zinc/44/52/21/1041445221.db2.gz QRQBPHBAMARGBO-SFHVURJKSA-N 2 1 377.598 3.797 20 0 GHADMP COCC[N@H+](Cc1ccc(Br)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235944359 1041449348 /nfs/dbraw/zinc/44/93/48/1041449348.db2.gz MWYWNMJMEUJKOI-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP COCC[N@@H+](Cc1ccc(Br)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235944359 1041449352 /nfs/dbraw/zinc/44/93/52/1041449352.db2.gz MWYWNMJMEUJKOI-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@H](OCc3ccccc3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235958007 1041466500 /nfs/dbraw/zinc/46/65/00/1041466500.db2.gz BCORVZBACAMUKN-JOCHJYFZSA-N 2 1 375.516 3.926 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235961274 1041468308 /nfs/dbraw/zinc/46/83/08/1041468308.db2.gz DNRUXXRVFHZFFE-XXBNENTESA-N 2 1 378.516 3.546 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC001235961274 1041468320 /nfs/dbraw/zinc/46/83/20/1041468320.db2.gz DNRUXXRVFHZFFE-XXBNENTESA-N 2 1 378.516 3.546 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)cc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235961964 1041468760 /nfs/dbraw/zinc/46/87/60/1041468760.db2.gz IDIBHUHTYFALGJ-UHFFFAOYSA-N 2 1 388.353 3.881 20 0 GHADMP CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235961376 1041469932 /nfs/dbraw/zinc/46/99/32/1041469932.db2.gz BHPHQVRNPXFTHS-UHFFFAOYSA-N 2 1 383.927 3.872 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235975216 1041479791 /nfs/dbraw/zinc/47/97/91/1041479791.db2.gz RLTXHDUEHGQFBK-UHFFFAOYSA-N 2 1 376.479 3.853 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](CCC[NH2+]C3CCCCC3)C1)C2 ZINC001236007151 1041498633 /nfs/dbraw/zinc/49/86/33/1041498633.db2.gz UHCHCPYBHQHFLV-HYBUGGRVSA-N 2 1 384.564 3.894 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001236043622 1041513854 /nfs/dbraw/zinc/51/38/54/1041513854.db2.gz ZDKDDTHVEJPDNS-FPOVZHCZSA-N 3 1 391.550 3.855 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(I)ccc2Cl)CC1 ZINC001236215628 1041626453 /nfs/dbraw/zinc/62/64/53/1041626453.db2.gz FSZKHYXEMSTWDX-UHFFFAOYSA-N 2 1 392.712 3.907 20 0 GHADMP C[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236226489 1041632836 /nfs/dbraw/zinc/63/28/36/1041632836.db2.gz MPFKZNUNAVYKPA-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP C[N@@H+](Cc1cc(Br)ccc1OC(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236226489 1041632850 /nfs/dbraw/zinc/63/28/50/1041632850.db2.gz MPFKZNUNAVYKPA-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP C[NH+]1CCC([NH+]2CCC3(CN(C(=O)OC(C)(C)C)c4ccccc43)CC2)CC1 ZINC001256203287 1041646327 /nfs/dbraw/zinc/64/63/27/1041646327.db2.gz UZXJKGWQXNPHGJ-UHFFFAOYSA-N 2 1 385.552 3.870 20 0 GHADMP O=C1C[C@@H]([N@@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc2)CN1Cc1ccccc1 ZINC001236314684 1041668798 /nfs/dbraw/zinc/66/87/98/1041668798.db2.gz NGYVJTWTAANDGP-XUZZJYLKSA-N 2 1 391.559 3.679 20 0 GHADMP COc1ccc(-c2c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cnn2C)cc1 ZINC001236375384 1041687214 /nfs/dbraw/zinc/68/72/14/1041687214.db2.gz JUBRCYRLHQUSTR-GOSISDBHSA-N 2 1 382.552 3.840 20 0 GHADMP COc1ccnc(Cl)c1C[N@@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236380128 1041690777 /nfs/dbraw/zinc/69/07/77/1041690777.db2.gz FNQAMQOEDONHRP-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COc1ccnc(Cl)c1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236380128 1041690778 /nfs/dbraw/zinc/69/07/78/1041690778.db2.gz FNQAMQOEDONHRP-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2cccnc2Br)CC2CC[NH2+]CC2)cc1 ZINC001236382903 1041691425 /nfs/dbraw/zinc/69/14/25/1041691425.db2.gz QULICQRLAGOCCA-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cccnc2Br)CC2CC[NH2+]CC2)cc1 ZINC001236382903 1041691429 /nfs/dbraw/zinc/69/14/29/1041691429.db2.gz QULICQRLAGOCCA-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236400386 1041702381 /nfs/dbraw/zinc/70/23/81/1041702381.db2.gz CFHWQFSOURMKAG-UHFFFAOYSA-N 2 1 379.520 3.685 20 0 GHADMP CC[N@H+](Cc1ccc(Br)cc1N1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC001236407079 1041703776 /nfs/dbraw/zinc/70/37/76/1041703776.db2.gz BNBIXVIWJYXBDP-MRXNPFEDSA-N 2 1 380.374 3.871 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)c21 ZINC001236405529 1041703856 /nfs/dbraw/zinc/70/38/56/1041703856.db2.gz ZGSMHLBXNHUCHJ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)c21 ZINC001236405529 1041703866 /nfs/dbraw/zinc/70/38/66/1041703866.db2.gz ZGSMHLBXNHUCHJ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236437869 1041711205 /nfs/dbraw/zinc/71/12/05/1041711205.db2.gz RITKIHOIYQGUAO-RPWUZVMVSA-N 2 1 378.564 3.690 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]c3cc(Cl)ncc23)C2CC[NH2+]CC2)cc1 ZINC001236445979 1041716296 /nfs/dbraw/zinc/71/62/96/1041716296.db2.gz IAFIOZWLOZMAPW-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3cc(Cl)ncc23)C2CC[NH2+]CC2)cc1 ZINC001236445979 1041716304 /nfs/dbraw/zinc/71/63/04/1041716304.db2.gz IAFIOZWLOZMAPW-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP Clc1ccccc1C[N@@H+](CC1CCC2(CC1)OCCO2)C1CC[NH2+]CC1 ZINC001236450506 1041717844 /nfs/dbraw/zinc/71/78/44/1041717844.db2.gz IEXMSUFDYIIECJ-UHFFFAOYSA-N 2 1 378.944 3.827 20 0 GHADMP Cn1c(=O)cc(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c2ccccc21 ZINC001236455716 1041719609 /nfs/dbraw/zinc/71/96/09/1041719609.db2.gz VZFQRWGAEWZSHO-UHFFFAOYSA-N 2 1 395.934 3.946 20 0 GHADMP Cn1c(=O)cc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c2ccccc21 ZINC001236455716 1041719613 /nfs/dbraw/zinc/71/96/13/1041719613.db2.gz VZFQRWGAEWZSHO-UHFFFAOYSA-N 2 1 395.934 3.946 20 0 GHADMP CCOCC[N@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001236462192 1041724404 /nfs/dbraw/zinc/72/44/04/1041724404.db2.gz QWPHHKNKXRONGJ-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001236462192 1041724406 /nfs/dbraw/zinc/72/44/06/1041724406.db2.gz QWPHHKNKXRONGJ-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CC2(c3ccccc3)CC2)C2CC[NH2+]CC2)c1 ZINC001236464268 1041725722 /nfs/dbraw/zinc/72/57/22/1041725722.db2.gz CWPXOHJNWBSOPL-UHFFFAOYSA-N 2 1 378.516 3.759 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256461177 1041742630 /nfs/dbraw/zinc/74/26/30/1041742630.db2.gz IARZOAIBHLXRLE-QWFCFKBJSA-N 2 1 375.557 3.871 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc3c(c2)NCCC3)C2CC[NH2+]CC2)cc1F ZINC001236518582 1041751846 /nfs/dbraw/zinc/75/18/46/1041751846.db2.gz UNRGUCYCJQUAKL-UHFFFAOYSA-N 2 1 383.511 3.947 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)NCCC3)C2CC[NH2+]CC2)cc1F ZINC001236518582 1041751850 /nfs/dbraw/zinc/75/18/50/1041751850.db2.gz UNRGUCYCJQUAKL-UHFFFAOYSA-N 2 1 383.511 3.947 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545009 1041757586 /nfs/dbraw/zinc/75/75/86/1041757586.db2.gz YIMKSYLQTYUCPO-YHBQERECSA-N 3 1 379.548 3.613 20 0 GHADMP Cc1nc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)o1 ZINC001236594799 1041771933 /nfs/dbraw/zinc/77/19/33/1041771933.db2.gz XYTKVSJLLBCWCF-QGZVFWFLSA-N 2 1 375.538 3.608 20 0 GHADMP Brc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1-n1cccn1 ZINC001236601967 1041775103 /nfs/dbraw/zinc/77/51/03/1041775103.db2.gz REPNWTUZPBXXCB-INIZCTEOSA-N 2 1 389.341 3.599 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@H](N4CCC([NH3+])CC4)C3)ccc21 ZINC001236620318 1041786378 /nfs/dbraw/zinc/78/63/78/1041786378.db2.gz BKNTUTYPVVYTSW-FQEVSTJZSA-N 2 1 376.548 3.812 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624343 1041789791 /nfs/dbraw/zinc/78/97/91/1041789791.db2.gz YZKHMHOMFKTDFA-HSZRJFAPSA-N 2 1 379.548 3.571 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1O ZINC001236754054 1041874226 /nfs/dbraw/zinc/87/42/26/1041874226.db2.gz HRGSLRLHSYNJBZ-IYARVYRRSA-N 2 1 376.447 3.951 20 0 GHADMP C[N@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)Cc1ccccc1Br ZINC001236886806 1041940450 /nfs/dbraw/zinc/94/04/50/1041940450.db2.gz IPCCNIWSWIEPEU-UHFFFAOYSA-N 2 1 388.353 3.833 20 0 GHADMP C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)Cc1ccccc1Br ZINC001236886806 1041940454 /nfs/dbraw/zinc/94/04/54/1041940454.db2.gz IPCCNIWSWIEPEU-UHFFFAOYSA-N 2 1 388.353 3.833 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+]3CCSC[C@H]3c3ccc(F)cc3)c2)CC1 ZINC001236890884 1041942115 /nfs/dbraw/zinc/94/21/15/1041942115.db2.gz RPJGRGZJBXHCTO-QFIPXVFZSA-N 2 1 385.552 3.868 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCSC[C@H]3c3ccc(F)cc3)c2)CC1 ZINC001236890884 1041942117 /nfs/dbraw/zinc/94/21/17/1041942117.db2.gz RPJGRGZJBXHCTO-QFIPXVFZSA-N 2 1 385.552 3.868 20 0 GHADMP COc1cccc([C@H]2CSCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001236891904 1041942655 /nfs/dbraw/zinc/94/26/55/1041942655.db2.gz BURLLQMNSUBDJP-HSZRJFAPSA-N 2 1 397.588 3.737 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCC23CCCC3)CC1 ZINC001237096373 1042033829 /nfs/dbraw/zinc/03/38/29/1042033829.db2.gz VCLBSLDVIZXRCM-UHFFFAOYSA-N 2 1 378.358 3.719 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(OC(C)(C)C)c4)C[C@@H]3C2)cn1 ZINC001237103126 1042037486 /nfs/dbraw/zinc/03/74/86/1042037486.db2.gz WOMISCPGCWZNBH-RTWAWAEBSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(OC(C)(C)C)c4)C[C@@H]3C2)cn1 ZINC001237103126 1042037492 /nfs/dbraw/zinc/03/74/92/1042037492.db2.gz WOMISCPGCWZNBH-RTWAWAEBSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(OC(C)(C)C)c4)C[C@@H]3C2)cn1 ZINC001237103126 1042037498 /nfs/dbraw/zinc/03/74/98/1042037498.db2.gz WOMISCPGCWZNBH-RTWAWAEBSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(OC(C)(C)C)c4)C[C@@H]3C2)cn1 ZINC001237103126 1042037504 /nfs/dbraw/zinc/03/75/04/1042037504.db2.gz WOMISCPGCWZNBH-RTWAWAEBSA-N 2 1 382.552 3.551 20 0 GHADMP COc1cccc2c(CN3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)ccnc12 ZINC001237107089 1042040687 /nfs/dbraw/zinc/04/06/87/1042040687.db2.gz ATJWGTYFERYXQC-NZQKXSOJSA-N 2 1 395.547 3.566 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc3cccccc1-3)CCC2 ZINC001237183653 1042082486 /nfs/dbraw/zinc/08/24/86/1042082486.db2.gz PJTRXKQRUMDLEA-UHFFFAOYSA-N 2 1 390.531 3.596 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc3cccccc1-3)CCC2 ZINC001237183653 1042082490 /nfs/dbraw/zinc/08/24/90/1042082490.db2.gz PJTRXKQRUMDLEA-UHFFFAOYSA-N 2 1 390.531 3.596 20 0 GHADMP Brc1ccc(C[C@H]2CCC[N@H+]2Cc2nc3c(s2)C[NH2+]CC3)cc1 ZINC001237259749 1042111838 /nfs/dbraw/zinc/11/18/38/1042111838.db2.gz XVTIMGREFHNAHJ-OAHLLOKOSA-N 2 1 392.366 3.758 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@H]3C2)cc1 ZINC001237263629 1042113268 /nfs/dbraw/zinc/11/32/68/1042113268.db2.gz DJZSXXJSNUHHPL-LOSJGSFVSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@H]3C2)cc1 ZINC001237263629 1042113272 /nfs/dbraw/zinc/11/32/72/1042113272.db2.gz DJZSXXJSNUHHPL-LOSJGSFVSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@H]3C2)cc1 ZINC001237263629 1042113276 /nfs/dbraw/zinc/11/32/76/1042113276.db2.gz DJZSXXJSNUHHPL-LOSJGSFVSA-N 3 1 375.560 3.676 20 0 GHADMP COC(=O)c1cc2cc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)ccc2[nH]1 ZINC001237321319 1042145925 /nfs/dbraw/zinc/14/59/25/1042145925.db2.gz RSKDQHDBJJKHIS-FQEVSTJZSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cc2cc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC001237321319 1042145928 /nfs/dbraw/zinc/14/59/28/1042145928.db2.gz RSKDQHDBJJKHIS-FQEVSTJZSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cc2cc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC001237321319 1042145931 /nfs/dbraw/zinc/14/59/31/1042145931.db2.gz RSKDQHDBJJKHIS-FQEVSTJZSA-N 2 1 391.515 3.908 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237395184 1042188402 /nfs/dbraw/zinc/18/84/02/1042188402.db2.gz XKNMBCLJYHPZEW-JSGCOSHPSA-N 2 1 384.471 3.741 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237395184 1042188405 /nfs/dbraw/zinc/18/84/05/1042188405.db2.gz XKNMBCLJYHPZEW-JSGCOSHPSA-N 2 1 384.471 3.741 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CCC12C[NH2+]C2 ZINC001237431676 1042205197 /nfs/dbraw/zinc/20/51/97/1042205197.db2.gz TXZCJFZTYPBGIY-KRWDZBQOSA-N 2 1 388.895 3.575 20 0 GHADMP COc1c(C)cccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001237502306 1042238867 /nfs/dbraw/zinc/23/88/67/1042238867.db2.gz LMTVOQDZFRDRTI-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccnc(OC(F)F)c3)CC2)c2ccccc2[nH+]1 ZINC001237610969 1042280770 /nfs/dbraw/zinc/28/07/70/1042280770.db2.gz KLWVJJLUTBRPML-UHFFFAOYSA-N 2 1 384.430 3.862 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(-c2ccc(F)cc2F)c1 ZINC001237665394 1042312658 /nfs/dbraw/zinc/31/26/58/1042312658.db2.gz HEFVJMJZLZZMGB-XZOQPEGZSA-N 2 1 385.502 3.842 20 0 GHADMP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1F ZINC001237816844 1042383406 /nfs/dbraw/zinc/38/34/06/1042383406.db2.gz VVGGBGBHVLHPKZ-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)cc21 ZINC001237882698 1042408514 /nfs/dbraw/zinc/40/85/14/1042408514.db2.gz SWNFRUROVSEMNT-ZJSXRUAMSA-N 2 1 382.548 3.848 20 0 GHADMP CSc1cc(C)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001238683224 1042683201 /nfs/dbraw/zinc/68/32/01/1042683201.db2.gz OKHJKHRIQLBSMQ-UHFFFAOYSA-N 2 1 384.593 3.958 20 0 GHADMP Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001239213509 1042787204 /nfs/dbraw/zinc/78/72/04/1042787204.db2.gz AUQHIKVLXDWJNK-NRFANRHFSA-N 2 1 392.547 3.618 20 0 GHADMP COCOc1cnc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1/C=C/[NH+](C)C ZINC001240387950 1042924626 /nfs/dbraw/zinc/92/46/26/1042924626.db2.gz WLDULWUCGMMXBB-ACCUITESSA-N 2 1 379.504 3.886 20 0 GHADMP c1nc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2n1[C@@H]1CCC[NH2+]CC1 ZINC001240476665 1042934680 /nfs/dbraw/zinc/93/46/80/1042934680.db2.gz GWUZNEVGWLQNBH-JOCHJYFZSA-N 2 1 390.531 3.850 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC000656539833 1043217652 /nfs/dbraw/zinc/21/76/52/1043217652.db2.gz WOYAAVGWARRWBB-OYDLWJJNSA-N 3 1 376.548 3.551 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256483699 1043418117 /nfs/dbraw/zinc/41/81/17/1043418117.db2.gz IUNYDCWOURJRNY-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256483699 1043418129 /nfs/dbraw/zinc/41/81/29/1043418129.db2.gz IUNYDCWOURJRNY-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256483699 1043418140 /nfs/dbraw/zinc/41/81/40/1043418140.db2.gz IUNYDCWOURJRNY-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001256530557 1043460463 /nfs/dbraw/zinc/46/04/63/1043460463.db2.gz NCVGTPKBLMLQPI-UGKGYDQZSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256530557 1043460474 /nfs/dbraw/zinc/46/04/74/1043460474.db2.gz NCVGTPKBLMLQPI-UGKGYDQZSA-N 2 1 377.532 3.609 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256532307 1043466906 /nfs/dbraw/zinc/46/69/06/1043466906.db2.gz XKTANRUEXCPQDV-SXLOBPIMSA-N 2 1 393.531 3.764 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256532307 1043466916 /nfs/dbraw/zinc/46/69/16/1043466916.db2.gz XKTANRUEXCPQDV-SXLOBPIMSA-N 2 1 393.531 3.764 20 0 GHADMP C[C@H]1C[C@H](N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535272 1043475744 /nfs/dbraw/zinc/47/57/44/1043475744.db2.gz DMQMQFCURWOUDD-JKLQHZFJSA-N 2 1 379.552 3.606 20 0 GHADMP C[C@H]1C[C@@H](N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535274 1043477822 /nfs/dbraw/zinc/47/78/22/1043477822.db2.gz DMQMQFCURWOUDD-QESAQDPVSA-N 2 1 379.552 3.606 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256547250 1043508061 /nfs/dbraw/zinc/50/80/61/1043508061.db2.gz RPPOYBZBHXTESA-DOJYXZBASA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256547250 1043508080 /nfs/dbraw/zinc/50/80/80/1043508080.db2.gz RPPOYBZBHXTESA-DOJYXZBASA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256547250 1043508095 /nfs/dbraw/zinc/50/80/95/1043508095.db2.gz RPPOYBZBHXTESA-DOJYXZBASA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256547250 1043508115 /nfs/dbraw/zinc/50/81/15/1043508115.db2.gz RPPOYBZBHXTESA-DOJYXZBASA-N 2 1 396.535 3.726 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256548147 1043510358 /nfs/dbraw/zinc/51/03/58/1043510358.db2.gz XDHQELIAIRPQCV-AGILITTLSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256548147 1043510367 /nfs/dbraw/zinc/51/03/67/1043510367.db2.gz XDHQELIAIRPQCV-AGILITTLSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256548147 1043510377 /nfs/dbraw/zinc/51/03/77/1043510377.db2.gz XDHQELIAIRPQCV-AGILITTLSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256548147 1043510389 /nfs/dbraw/zinc/51/03/89/1043510389.db2.gz XDHQELIAIRPQCV-AGILITTLSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@H]1C[C@H](N2CC[NH+](CCc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256551466 1043516082 /nfs/dbraw/zinc/51/60/82/1043516082.db2.gz SANWJHNMDRHHSI-RBBKRZOGSA-N 2 1 383.605 3.961 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@](F)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256554486 1043523315 /nfs/dbraw/zinc/52/33/15/1043523315.db2.gz HURPTOSUCXACDV-OAQYLSRUSA-N 2 1 385.568 3.968 20 0 GHADMP C[C@H]1C[C@@H](N(c2ccc(F)cn2)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256558011 1043530169 /nfs/dbraw/zinc/53/01/69/1043530169.db2.gz PTPNLIAXHBVSHC-AVRDEDQJSA-N 2 1 382.527 3.832 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256558965 1043531849 /nfs/dbraw/zinc/53/18/49/1043531849.db2.gz WXKYUBKBLUBMME-UNMCSNQZSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256558965 1043531860 /nfs/dbraw/zinc/53/18/60/1043531860.db2.gz WXKYUBKBLUBMME-UNMCSNQZSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256569847 1043541979 /nfs/dbraw/zinc/54/19/79/1043541979.db2.gz QLIGPOAQCMYQPT-QFIPXVFZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CC1 ZINC001256574011 1043548078 /nfs/dbraw/zinc/54/80/78/1043548078.db2.gz UENNYNYQNQTJLC-UHFFFAOYSA-N 2 1 389.609 3.939 20 0 GHADMP c1ccc(CN2CCC([N@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001256605085 1043567370 /nfs/dbraw/zinc/56/73/70/1043567370.db2.gz AWHRJZNZDJAPFL-BJKOFHAPSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001256605085 1043567375 /nfs/dbraw/zinc/56/73/75/1043567375.db2.gz AWHRJZNZDJAPFL-BJKOFHAPSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001256605085 1043567379 /nfs/dbraw/zinc/56/73/79/1043567379.db2.gz AWHRJZNZDJAPFL-BJKOFHAPSA-N 2 1 384.564 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256605190 1043569719 /nfs/dbraw/zinc/56/97/19/1043569719.db2.gz DOTBRQMHVASLSB-DEOSSOPVSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256605190 1043569722 /nfs/dbraw/zinc/56/97/22/1043569722.db2.gz DOTBRQMHVASLSB-DEOSSOPVSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)C[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256631570 1043583496 /nfs/dbraw/zinc/58/34/96/1043583496.db2.gz ZOLTVUCUVYEKTA-BMHONFFRSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256631570 1043583501 /nfs/dbraw/zinc/58/35/01/1043583501.db2.gz ZOLTVUCUVYEKTA-BMHONFFRSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256631570 1043583506 /nfs/dbraw/zinc/58/35/06/1043583506.db2.gz ZOLTVUCUVYEKTA-BMHONFFRSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256631570 1043583513 /nfs/dbraw/zinc/58/35/13/1043583513.db2.gz ZOLTVUCUVYEKTA-BMHONFFRSA-N 2 1 379.589 3.969 20 0 GHADMP FC(F)(F)c1cccc([C@H]2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)CCO2)c1 ZINC001256700191 1043630556 /nfs/dbraw/zinc/63/05/56/1043630556.db2.gz RZNJHHWXXHTBOC-SOAGJPPSSA-N 2 1 398.469 3.722 20 0 GHADMP FC(F)(F)c1cccc([C@H]2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)CCO2)c1 ZINC001256700191 1043630563 /nfs/dbraw/zinc/63/05/63/1043630563.db2.gz RZNJHHWXXHTBOC-SOAGJPPSSA-N 2 1 398.469 3.722 20 0 GHADMP C[C@H](Cc1ccncc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001256742981 1043644445 /nfs/dbraw/zinc/64/44/45/1043644445.db2.gz QMHUMYUFPSIUFC-QUCCMNQESA-N 2 1 385.577 3.830 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC001256788878 1043652349 /nfs/dbraw/zinc/65/23/49/1043652349.db2.gz BTPKNOMYYZNWOW-RPBOFIJWSA-N 2 1 393.575 3.834 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+]([C@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC001256815593 1043672014 /nfs/dbraw/zinc/67/20/14/1043672014.db2.gz SPYOALDETAYKBU-JTHBVZDNSA-N 2 1 394.563 3.647 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852942 1043702156 /nfs/dbraw/zinc/70/21/56/1043702156.db2.gz RMRUPTVKPRYQMJ-HDLCADABSA-N 3 1 396.538 3.627 20 0 GHADMP CSc1ncc(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)cn1 ZINC001278975692 1043735180 /nfs/dbraw/zinc/73/51/80/1043735180.db2.gz WILJVAYNYTWJDX-UHFFFAOYSA-N 2 1 388.503 3.829 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)[NH+](C)C1CC1 ZINC001292778455 1043873115 /nfs/dbraw/zinc/87/31/15/1043873115.db2.gz VXAKKAIXRSUHPQ-YFXJRYMSSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)[N@H+](C)C1CC1 ZINC001292778455 1043873134 /nfs/dbraw/zinc/87/31/34/1043873134.db2.gz VXAKKAIXRSUHPQ-YFXJRYMSSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)[N@@H+](C)C1CC1 ZINC001292778455 1043873155 /nfs/dbraw/zinc/87/31/55/1043873155.db2.gz VXAKKAIXRSUHPQ-YFXJRYMSSA-N 2 1 383.580 3.524 20 0 GHADMP COc1ccc(C[C@H](C)N(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268556 1043949640 /nfs/dbraw/zinc/94/96/40/1043949640.db2.gz NFBZFOFPBZFATH-RDPSFJRHSA-N 2 1 382.548 3.849 20 0 GHADMP COc1ccc(C[C@H](C)N(C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268556 1043949641 /nfs/dbraw/zinc/94/96/41/1043949641.db2.gz NFBZFOFPBZFATH-RDPSFJRHSA-N 2 1 382.548 3.849 20 0 GHADMP C[NH+]1CCN(C(=O)C[C@H]2CC3(CC[NH+](C4CCCC4)CC3)c3ccccc32)CC1 ZINC001257350961 1043969780 /nfs/dbraw/zinc/96/97/80/1043969780.db2.gz JLIKUGNWDTVWPB-FQEVSTJZSA-N 2 1 395.591 3.614 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)cnc3Cl)C[C@H]2CC1 ZINC001279026960 1044081809 /nfs/dbraw/zinc/08/18/09/1044081809.db2.gz NNZDRZUBGAPDJZ-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cnc3Cl)C[C@H]2CC1 ZINC001279026960 1044081826 /nfs/dbraw/zinc/08/18/26/1044081826.db2.gz NNZDRZUBGAPDJZ-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)cnc3Cl)C[C@H]2CC1 ZINC001279026960 1044081842 /nfs/dbraw/zinc/08/18/42/1044081842.db2.gz NNZDRZUBGAPDJZ-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)cnc3Cl)C[C@H]2CC1 ZINC001279026960 1044081851 /nfs/dbraw/zinc/08/18/51/1044081851.db2.gz NNZDRZUBGAPDJZ-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257764498 1044153187 /nfs/dbraw/zinc/15/31/87/1044153187.db2.gz KUEWTQAGARETMT-UHFFFAOYSA-N 2 1 376.545 3.741 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC1 ZINC001258008790 1044335321 /nfs/dbraw/zinc/33/53/21/1044335321.db2.gz FTWHWSVSSRJYGN-UHFFFAOYSA-N 2 1 386.561 3.729 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001258013856 1044341145 /nfs/dbraw/zinc/34/11/45/1044341145.db2.gz YECASSUWJWZGDJ-PKOBYXMFSA-N 2 1 397.579 3.682 20 0 GHADMP CC(C)C[NH+]1CCC(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001258018191 1044343538 /nfs/dbraw/zinc/34/35/38/1044343538.db2.gz WDPFJRPZNKCBSF-UHFFFAOYSA-N 2 1 399.501 3.823 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H](C)C[C@H](C)CC(C)C)CCC2 ZINC001258065670 1044378384 /nfs/dbraw/zinc/37/83/84/1044378384.db2.gz NMXLEEPXJPXICK-RTBURBONSA-N 2 1 376.589 3.752 20 0 GHADMP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cc(C)nn4C)CC[C@@H]3C2)s1 ZINC001279078033 1044429679 /nfs/dbraw/zinc/42/96/79/1044429679.db2.gz YWDSARWQBQEYGZ-CALCHBBNSA-N 2 1 390.622 3.856 20 0 GHADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cc(C)nn4C)CC[C@@H]3C2)s1 ZINC001279078033 1044429689 /nfs/dbraw/zinc/42/96/89/1044429689.db2.gz YWDSARWQBQEYGZ-CALCHBBNSA-N 2 1 390.622 3.856 20 0 GHADMP COc1cccc(C[NH+]2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC001258147005 1044437766 /nfs/dbraw/zinc/43/77/66/1044437766.db2.gz FCGQUKBVVDCYFI-UHFFFAOYSA-N 2 1 393.575 3.520 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258148464 1044439602 /nfs/dbraw/zinc/43/96/02/1044439602.db2.gz JKDIQSRNFOACRR-OAQYLSRUSA-N 2 1 394.559 3.982 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258148464 1044439607 /nfs/dbraw/zinc/43/96/07/1044439607.db2.gz JKDIQSRNFOACRR-OAQYLSRUSA-N 2 1 394.559 3.982 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H](C)Cc1ccco1)CC2 ZINC001258188498 1044460272 /nfs/dbraw/zinc/46/02/72/1044460272.db2.gz LBSHSKHKHANRTA-FPOVZHCZSA-N 2 1 383.536 3.609 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001294139772 1044492283 /nfs/dbraw/zinc/49/22/83/1044492283.db2.gz QCMBPYGVQSAGCZ-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001294139772 1044492288 /nfs/dbraw/zinc/49/22/88/1044492288.db2.gz QCMBPYGVQSAGCZ-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001294139772 1044492297 /nfs/dbraw/zinc/49/22/97/1044492297.db2.gz QCMBPYGVQSAGCZ-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[NH+](C)CCc3ccccc3)cc2)C1 ZINC001294217492 1044529868 /nfs/dbraw/zinc/52/98/68/1044529868.db2.gz AKCSLEJRSIWNKN-HXUWFJFHSA-N 2 1 395.547 3.520 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258418514 1044551323 /nfs/dbraw/zinc/55/13/23/1044551323.db2.gz ROXOYZVWGRULAD-XUTJKUGGSA-N 2 1 382.527 3.962 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258656031 1044694061 /nfs/dbraw/zinc/69/40/61/1044694061.db2.gz LQLXGTPFGJASTL-SBFWRKJZSA-N 2 1 395.595 3.863 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258656031 1044694072 /nfs/dbraw/zinc/69/40/72/1044694072.db2.gz LQLXGTPFGJASTL-SBFWRKJZSA-N 2 1 395.595 3.863 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258656031 1044694081 /nfs/dbraw/zinc/69/40/81/1044694081.db2.gz LQLXGTPFGJASTL-SBFWRKJZSA-N 2 1 395.595 3.863 20 0 GHADMP CCC[NH+]1CCC([NH+]2CCC(Oc3ccccc3C(=O)NC(C)C)CC2)CC1 ZINC001258775934 1044759056 /nfs/dbraw/zinc/75/90/56/1044759056.db2.gz LEKQFVPHQDKZNC-UHFFFAOYSA-N 2 1 387.568 3.542 20 0 GHADMP COc1ccccc1C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001258890195 1044843935 /nfs/dbraw/zinc/84/39/35/1044843935.db2.gz NLEMWSKBUSSPNS-MALNDZBISA-N 2 1 396.579 3.696 20 0 GHADMP COc1ccccc1C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001258890195 1044843958 /nfs/dbraw/zinc/84/39/58/1044843958.db2.gz NLEMWSKBUSSPNS-MALNDZBISA-N 2 1 396.579 3.696 20 0 GHADMP COc1ccccc1C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001258890195 1044843984 /nfs/dbraw/zinc/84/39/84/1044843984.db2.gz NLEMWSKBUSSPNS-MALNDZBISA-N 2 1 396.579 3.696 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@@H]3C[C@H](C)[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001295141619 1044929582 /nfs/dbraw/zinc/92/95/82/1044929582.db2.gz CZOWEUNBXIPDIJ-FUOIXIIKSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001295141619 1044929588 /nfs/dbraw/zinc/92/95/88/1044929588.db2.gz CZOWEUNBXIPDIJ-FUOIXIIKSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001295141619 1044929589 /nfs/dbraw/zinc/92/95/89/1044929589.db2.gz CZOWEUNBXIPDIJ-FUOIXIIKSA-N 2 1 383.580 3.524 20 0 GHADMP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCC[NH+](C(C)(C)C)CC1)C(C)C ZINC001295845075 1045164078 /nfs/dbraw/zinc/16/40/78/1045164078.db2.gz IUUIWDSGWKHKAC-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC[NH+](CCn1c(C2CCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C(C)C ZINC001295845075 1045164083 /nfs/dbraw/zinc/16/40/83/1045164083.db2.gz IUUIWDSGWKHKAC-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC[NH+](CCn1c(C2CCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC001295845075 1045164093 /nfs/dbraw/zinc/16/40/93/1045164093.db2.gz IUUIWDSGWKHKAC-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC001295977081 1045204696 /nfs/dbraw/zinc/20/46/96/1045204696.db2.gz GXJCFABDFGJYEY-ZCNNSNEGSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001295977081 1045204702 /nfs/dbraw/zinc/20/47/02/1045204702.db2.gz GXJCFABDFGJYEY-ZCNNSNEGSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001295977081 1045204709 /nfs/dbraw/zinc/20/47/09/1045204709.db2.gz GXJCFABDFGJYEY-ZCNNSNEGSA-N 2 1 390.620 3.585 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001301769241 1046692878 /nfs/dbraw/zinc/69/28/78/1046692878.db2.gz CGXLQEIHNNCJHK-QFIPXVFZSA-N 2 1 389.559 3.807 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001301769241 1046692881 /nfs/dbraw/zinc/69/28/81/1046692881.db2.gz CGXLQEIHNNCJHK-QFIPXVFZSA-N 2 1 389.559 3.807 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC001265192691 1047571594 /nfs/dbraw/zinc/57/15/94/1047571594.db2.gz IBBNYFLQOCFCQZ-URXFXBBRSA-N 2 1 393.575 3.986 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC001265192691 1047571599 /nfs/dbraw/zinc/57/15/99/1047571599.db2.gz IBBNYFLQOCFCQZ-URXFXBBRSA-N 2 1 393.575 3.986 20 0 GHADMP CC[C@H](C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[NH+](C)C ZINC001304219495 1047618311 /nfs/dbraw/zinc/61/83/11/1047618311.db2.gz YRZWCCQBADLQAM-WMTXJRDZSA-N 2 1 379.548 3.501 20 0 GHADMP CN(C)C(=O)C[N@H+]1CCCC2(CC[NH+](Cc3cccc(Cl)c3Cl)CC2)C1 ZINC001279201863 1047741836 /nfs/dbraw/zinc/74/18/36/1047741836.db2.gz OHLKZRDHWXPNSQ-UHFFFAOYSA-N 2 1 398.378 3.760 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CC1C[C@@H](C)O[C@H](C)C1)CC2 ZINC001279262120 1047751199 /nfs/dbraw/zinc/75/11/99/1047751199.db2.gz BCTGCBYKWLDNOQ-IAGOWNOFSA-N 2 1 377.598 3.943 20 0 GHADMP Cn1cc(Br)c(C[NH+]2CCC3(CCC[N@@H+](C4CCCC4)C3)CC2)n1 ZINC001279359942 1047779730 /nfs/dbraw/zinc/77/97/30/1047779730.db2.gz NYWVBSPHIPCZFD-UHFFFAOYSA-N 2 1 395.389 3.803 20 0 GHADMP Cn1cc(Br)c(C[NH+]2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)n1 ZINC001279359942 1047779736 /nfs/dbraw/zinc/77/97/36/1047779736.db2.gz NYWVBSPHIPCZFD-UHFFFAOYSA-N 2 1 395.389 3.803 20 0 GHADMP Brc1csc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001279418149 1047798310 /nfs/dbraw/zinc/79/83/10/1047798310.db2.gz XOUGTVMJMROSAS-OKILXGFUSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001279418149 1047798313 /nfs/dbraw/zinc/79/83/13/1047798313.db2.gz XOUGTVMJMROSAS-OKILXGFUSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001279418149 1047798316 /nfs/dbraw/zinc/79/83/16/1047798316.db2.gz XOUGTVMJMROSAS-OKILXGFUSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001279418149 1047798319 /nfs/dbraw/zinc/79/83/19/1047798319.db2.gz XOUGTVMJMROSAS-OKILXGFUSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279417323 1047798478 /nfs/dbraw/zinc/79/84/78/1047798478.db2.gz OCPKJZSPBKKTPF-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3I)CC2)C1 ZINC001279536206 1047835349 /nfs/dbraw/zinc/83/53/49/1047835349.db2.gz RXUPVLZVUKTIEV-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279620613 1047872306 /nfs/dbraw/zinc/87/23/06/1047872306.db2.gz PAMIICSISTVYBZ-KDURUIRLSA-N 3 1 375.523 3.705 20 0 GHADMP C[NH+]1CCC(CC[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279620613 1047872321 /nfs/dbraw/zinc/87/23/21/1047872321.db2.gz PAMIICSISTVYBZ-KDURUIRLSA-N 3 1 375.523 3.705 20 0 GHADMP C[NH+]1CCC(CC[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279620613 1047872334 /nfs/dbraw/zinc/87/23/34/1047872334.db2.gz PAMIICSISTVYBZ-KDURUIRLSA-N 3 1 375.523 3.705 20 0 GHADMP Cc1cc(Br)sc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279668210 1047907185 /nfs/dbraw/zinc/90/71/85/1047907185.db2.gz RGAFMMHRAXFCEP-UHFFFAOYSA-N 2 1 395.370 3.640 20 0 GHADMP Fc1c(Cl)ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001279709762 1047929446 /nfs/dbraw/zinc/92/94/46/1047929446.db2.gz JJPYVTHUUSSATK-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3csc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279712303 1047931339 /nfs/dbraw/zinc/93/13/39/1047931339.db2.gz XIHXNNULZYOQDF-IYBDPMFKSA-N 2 1 392.487 3.531 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3csc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279712303 1047931342 /nfs/dbraw/zinc/93/13/42/1047931342.db2.gz XIHXNNULZYOQDF-IYBDPMFKSA-N 2 1 392.487 3.531 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3csc(C(F)(F)F)c3)C[C@H]2CC1 ZINC001279712303 1047931344 /nfs/dbraw/zinc/93/13/44/1047931344.db2.gz XIHXNNULZYOQDF-IYBDPMFKSA-N 2 1 392.487 3.531 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3c(C)cc(F)cc3Cl)C[C@H]2CC1 ZINC001280225834 1048135845 /nfs/dbraw/zinc/13/58/45/1048135845.db2.gz CLQMTCAUKBPEPD-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3c(C)cc(F)cc3Cl)C[C@H]2CC1 ZINC001280225834 1048135852 /nfs/dbraw/zinc/13/58/52/1048135852.db2.gz CLQMTCAUKBPEPD-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3c(C)cc(F)cc3Cl)C[C@H]2CC1 ZINC001280225834 1048135857 /nfs/dbraw/zinc/13/58/57/1048135857.db2.gz CLQMTCAUKBPEPD-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP Cc1ccc(I)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001280239504 1048142685 /nfs/dbraw/zinc/14/26/85/1048142685.db2.gz OAGVRPQGJNASMO-UHFFFAOYSA-N 2 1 398.332 3.907 20 0 GHADMP Cc1cccc(Br)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001280271048 1048155511 /nfs/dbraw/zinc/15/55/11/1048155511.db2.gz OECKPSVYBFQAMB-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)O1 ZINC001307432624 1049269376 /nfs/dbraw/zinc/26/93/76/1049269376.db2.gz VVHDXEVEHCOLRR-LGVFNWMJSA-N 2 1 385.596 3.746 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001307455775 1049292475 /nfs/dbraw/zinc/29/24/75/1049292475.db2.gz MKSLSSFRJXMJNT-LJQANCHMSA-N 2 1 379.589 3.831 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001307519877 1049364898 /nfs/dbraw/zinc/36/48/98/1049364898.db2.gz CVEFDUQPIVNOHI-QGZVFWFLSA-N 2 1 388.508 3.542 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C(C)C)CC2)CC1 ZINC001307699769 1049517374 /nfs/dbraw/zinc/51/73/74/1049517374.db2.gz HARSKVBBFHCORJ-UHFFFAOYSA-N 2 1 385.596 3.787 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@H](CC(C)(C)C)C3)cc2)CC1 ZINC001307848363 1049631189 /nfs/dbraw/zinc/63/11/89/1049631189.db2.gz YJEQXRVEMIZCHQ-LJQANCHMSA-N 2 1 386.584 3.525 20 0 GHADMP c1cn([C@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)nn1 ZINC001307967251 1049728242 /nfs/dbraw/zinc/72/82/42/1049728242.db2.gz BUYKXUCNOOAYMT-QHCPKHFHSA-N 2 1 381.568 3.650 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001307976226 1049734552 /nfs/dbraw/zinc/73/45/52/1049734552.db2.gz SMTWVEIHGYAYOL-JOCHJYFZSA-N 2 1 383.511 3.905 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1)c1ccccc1 ZINC001308123073 1049866395 /nfs/dbraw/zinc/86/63/95/1049866395.db2.gz TXZYKZITORAQNV-RKWJYTRTSA-N 2 1 377.532 3.583 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1)c1ccccc1 ZINC001308123073 1049866410 /nfs/dbraw/zinc/86/64/10/1049866410.db2.gz TXZYKZITORAQNV-RKWJYTRTSA-N 2 1 377.532 3.583 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Br)c(C)c3)CC2)nc(C)[nH+]1 ZINC001308292860 1049940342 /nfs/dbraw/zinc/94/03/42/1049940342.db2.gz OUAVYQJUGLHHKM-UHFFFAOYSA-N 2 1 389.341 3.923 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001308343098 1049953376 /nfs/dbraw/zinc/95/33/76/1049953376.db2.gz LQTVYRGXDZKDCI-BAGYTPMASA-N 2 1 384.520 3.695 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001308343098 1049953383 /nfs/dbraw/zinc/95/33/83/1049953383.db2.gz LQTVYRGXDZKDCI-BAGYTPMASA-N 2 1 384.520 3.695 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001308344575 1049954012 /nfs/dbraw/zinc/95/40/12/1049954012.db2.gz PEQYLJOJGRZFOI-LJQANCHMSA-N 2 1 394.437 3.832 20 0 GHADMP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308522300 1049998032 /nfs/dbraw/zinc/99/80/32/1049998032.db2.gz BZQKRUAEZIVOBW-SFHVURJKSA-N 2 1 392.469 3.997 20 0 GHADMP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308522300 1049998036 /nfs/dbraw/zinc/99/80/36/1049998036.db2.gz BZQKRUAEZIVOBW-SFHVURJKSA-N 2 1 392.469 3.997 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC001308884763 1050139073 /nfs/dbraw/zinc/13/90/73/1050139073.db2.gz XTCNLYFSPFAYRG-GOSISDBHSA-N 2 1 382.504 3.945 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC001308884763 1050139078 /nfs/dbraw/zinc/13/90/78/1050139078.db2.gz XTCNLYFSPFAYRG-GOSISDBHSA-N 2 1 382.504 3.945 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC001308884763 1050139087 /nfs/dbraw/zinc/13/90/87/1050139087.db2.gz XTCNLYFSPFAYRG-GOSISDBHSA-N 2 1 382.504 3.945 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3[NH+](C)C)cc2)C1 ZINC001327674267 1050248857 /nfs/dbraw/zinc/24/88/57/1050248857.db2.gz MPAKCLAMMUKBPV-STZQEDGTSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1c(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccc2c[nH+]cn21 ZINC001331146871 1051199223 /nfs/dbraw/zinc/19/92/23/1051199223.db2.gz LCICKAXYBBMPPO-HXUWFJFHSA-N 2 1 388.515 3.675 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC001311078669 1051835042 /nfs/dbraw/zinc/83/50/42/1051835042.db2.gz NHKYNMREZCEETE-GOSISDBHSA-N 2 1 395.551 3.697 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC001311078669 1051835052 /nfs/dbraw/zinc/83/50/52/1051835052.db2.gz NHKYNMREZCEETE-GOSISDBHSA-N 2 1 395.551 3.697 20 0 GHADMP CCN(C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001311079057 1051835216 /nfs/dbraw/zinc/83/52/16/1051835216.db2.gz UCMRIWDCRBHLLI-PXNSSMCTSA-N 2 1 381.524 3.837 20 0 GHADMP CCN(C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311079057 1051835231 /nfs/dbraw/zinc/83/52/31/1051835231.db2.gz UCMRIWDCRBHLLI-PXNSSMCTSA-N 2 1 381.524 3.837 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1Cl ZINC001311401448 1052103482 /nfs/dbraw/zinc/10/34/82/1052103482.db2.gz RGMINOMIVSWPMG-HXUWFJFHSA-N 2 1 394.991 3.897 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1Cl ZINC001311401448 1052103488 /nfs/dbraw/zinc/10/34/88/1052103488.db2.gz RGMINOMIVSWPMG-HXUWFJFHSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C(C)(C)C)C3)cc2)C1 ZINC001311498567 1052204037 /nfs/dbraw/zinc/20/40/37/1052204037.db2.gz QUJJMDBXBLKTRJ-WIYYLYMNSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2)C1 ZINC001311498567 1052204047 /nfs/dbraw/zinc/20/40/47/1052204047.db2.gz QUJJMDBXBLKTRJ-WIYYLYMNSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2)C1 ZINC001311498567 1052204057 /nfs/dbraw/zinc/20/40/57/1052204057.db2.gz QUJJMDBXBLKTRJ-WIYYLYMNSA-N 2 1 386.584 3.591 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001311578869 1052260330 /nfs/dbraw/zinc/26/03/30/1052260330.db2.gz UQLQMCBNQQOPQB-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC001311639525 1052293873 /nfs/dbraw/zinc/29/38/73/1052293873.db2.gz GKNWZVAXJBJDBY-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C(C)(C)C[NH3+])CC2)[C@H]1c1cccs1 ZINC001336829097 1052345002 /nfs/dbraw/zinc/34/50/02/1052345002.db2.gz JZVWBFRUSXSEMI-APWZRJJASA-N 2 1 392.613 3.538 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(Cl)cc1 ZINC001311876752 1052450917 /nfs/dbraw/zinc/45/09/17/1052450917.db2.gz DVFIZPZSXCJXJT-VAMGGRTRSA-N 2 1 394.991 3.895 20 0 GHADMP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311922149 1052478092 /nfs/dbraw/zinc/47/80/92/1052478092.db2.gz VVDCPIRXHHZPQR-KNQAVFIVSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001311922149 1052478097 /nfs/dbraw/zinc/47/80/97/1052478097.db2.gz VVDCPIRXHHZPQR-KNQAVFIVSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001311922149 1052478104 /nfs/dbraw/zinc/47/81/04/1052478104.db2.gz VVDCPIRXHHZPQR-KNQAVFIVSA-N 2 1 386.584 3.728 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCCC1)c1ccccc1 ZINC001311993591 1052519203 /nfs/dbraw/zinc/51/92/03/1052519203.db2.gz KKETZDGMXLRSEB-ILWGZMRPSA-N 2 1 398.595 3.966 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312012069 1052527785 /nfs/dbraw/zinc/52/77/85/1052527785.db2.gz LNWVNAVYKZTDFQ-RTWAWAEBSA-N 2 1 386.584 3.633 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001313117283 1052961267 /nfs/dbraw/zinc/96/12/67/1052961267.db2.gz PCZQIDRTPCIKAN-IBGZPJMESA-N 2 1 392.613 3.618 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001313174024 1052976691 /nfs/dbraw/zinc/97/66/91/1052976691.db2.gz YFUBAFBNYVYTBM-VXKWHMMOSA-N 2 1 390.616 3.880 20 0 GHADMP CC1([NH+]2CCC2)CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001313376387 1053036429 /nfs/dbraw/zinc/03/64/29/1053036429.db2.gz UIBUDSFJYMRMOW-QKDPSFTKSA-N 2 1 390.616 3.737 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001318410273 1054618640 /nfs/dbraw/zinc/61/86/40/1054618640.db2.gz RELSOLGIBOZEMP-NHCUHLMSSA-N 2 1 385.577 3.830 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC001319342589 1055194428 /nfs/dbraw/zinc/19/44/28/1055194428.db2.gz VRLKYGGQSYRHRM-YFNKSVMNSA-N 2 1 395.591 3.825 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001319342589 1055194433 /nfs/dbraw/zinc/19/44/33/1055194433.db2.gz VRLKYGGQSYRHRM-YFNKSVMNSA-N 2 1 395.591 3.825 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001319342589 1055194438 /nfs/dbraw/zinc/19/44/38/1055194438.db2.gz VRLKYGGQSYRHRM-YFNKSVMNSA-N 2 1 395.591 3.825 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001345808807 1055270246 /nfs/dbraw/zinc/27/02/46/1055270246.db2.gz NAUPXVSIUJDKMM-MISYRCLQSA-N 2 1 381.524 3.517 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1 ZINC001345808807 1055270259 /nfs/dbraw/zinc/27/02/59/1055270259.db2.gz NAUPXVSIUJDKMM-MISYRCLQSA-N 2 1 381.524 3.517 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001320158817 1055681796 /nfs/dbraw/zinc/68/17/96/1055681796.db2.gz AHOFYCICPAURMC-HSQYWUDLSA-N 2 1 383.511 3.646 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)s1 ZINC001322277279 1056603552 /nfs/dbraw/zinc/60/35/52/1056603552.db2.gz UBRDPXRXIYSYBO-IBGZPJMESA-N 2 1 385.577 3.903 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccncc3)CC2)CC1 ZINC001322922894 1056888664 /nfs/dbraw/zinc/88/86/64/1056888664.db2.gz AFVFHNBPJSOFLW-XPPIMPSXSA-N 2 1 398.595 3.595 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccncc3)CC2)CC1 ZINC001322922894 1056888672 /nfs/dbraw/zinc/88/86/72/1056888672.db2.gz AFVFHNBPJSOFLW-XPPIMPSXSA-N 2 1 398.595 3.595 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989974 1057494976 /nfs/dbraw/zinc/49/49/76/1057494976.db2.gz PDKXENFCMPLXKD-AZUAARDMSA-N 2 1 380.536 3.610 20 0 GHADMP COc1ccc([C@H](CNC(=[NH2+])NCCc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000849055273 1057566190 /nfs/dbraw/zinc/56/61/90/1057566190.db2.gz MJYVHJWAGPCSSX-QFIPXVFZSA-N 2 1 380.536 3.579 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000849075644 1057583154 /nfs/dbraw/zinc/58/31/54/1057583154.db2.gz JYPROHUZTGMPHI-QFIPXVFZSA-N 2 1 382.508 3.552 20 0 GHADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327006029 1057584852 /nfs/dbraw/zinc/58/48/52/1057584852.db2.gz UMYTZNICVANLGD-IBGZPJMESA-N 2 1 378.944 3.863 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1)C(C)C ZINC001338499593 1058598492 /nfs/dbraw/zinc/59/84/92/1058598492.db2.gz URAUIOSNMORKBC-UHFFFAOYSA-N 2 1 380.536 3.711 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)oc1C ZINC001442918135 1059028828 /nfs/dbraw/zinc/02/88/28/1059028828.db2.gz GYYKHGVKKKIDLG-FQEVSTJZSA-N 2 1 383.536 3.743 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC001442926578 1059030304 /nfs/dbraw/zinc/03/03/04/1059030304.db2.gz VMLXHZBFKMJSOW-QGZVFWFLSA-N 2 1 385.474 3.502 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001444889136 1059406557 /nfs/dbraw/zinc/40/65/57/1059406557.db2.gz CVDUYEHVXXOYTE-RBZQAINGSA-N 2 1 399.623 3.971 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001444889136 1059406569 /nfs/dbraw/zinc/40/65/69/1059406569.db2.gz CVDUYEHVXXOYTE-RBZQAINGSA-N 2 1 399.623 3.971 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001444889136 1059406579 /nfs/dbraw/zinc/40/65/79/1059406579.db2.gz CVDUYEHVXXOYTE-RBZQAINGSA-N 2 1 399.623 3.971 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001446719907 1059841059 /nfs/dbraw/zinc/84/10/59/1059841059.db2.gz ZJJUURXUDSLKBS-MYDTUXCISA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001446719907 1059841082 /nfs/dbraw/zinc/84/10/82/1059841082.db2.gz ZJJUURXUDSLKBS-MYDTUXCISA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001446719907 1059841108 /nfs/dbraw/zinc/84/11/08/1059841108.db2.gz ZJJUURXUDSLKBS-MYDTUXCISA-N 2 1 383.580 3.524 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001448573603 1060220834 /nfs/dbraw/zinc/22/08/34/1060220834.db2.gz USINTCNYQRTNEJ-DHIUTWEWSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001448573603 1060220854 /nfs/dbraw/zinc/22/08/54/1060220854.db2.gz USINTCNYQRTNEJ-DHIUTWEWSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001448573603 1060220882 /nfs/dbraw/zinc/22/08/82/1060220882.db2.gz USINTCNYQRTNEJ-DHIUTWEWSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001448573603 1060220894 /nfs/dbraw/zinc/22/08/94/1060220894.db2.gz USINTCNYQRTNEJ-DHIUTWEWSA-N 2 1 383.580 3.954 20 0 GHADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)C3C[NH+](C4CCCCC4)C3)sc2C1 ZINC001451875366 1060854570 /nfs/dbraw/zinc/85/45/70/1060854570.db2.gz DQKMCGJVIDDDRF-UHFFFAOYSA-N 2 1 376.570 3.503 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OCC(F)(F)F ZINC001345955128 1061241304 /nfs/dbraw/zinc/24/13/04/1061241304.db2.gz CBOPNXWXOFCNRM-UHFFFAOYSA-N 2 1 386.458 3.992 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001454125232 1061619071 /nfs/dbraw/zinc/61/90/71/1061619071.db2.gz ZSWOLIMXVQPAMH-FGZHOGPDSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454125232 1061619103 /nfs/dbraw/zinc/61/91/03/1061619103.db2.gz ZSWOLIMXVQPAMH-FGZHOGPDSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454125232 1061619128 /nfs/dbraw/zinc/61/91/28/1061619128.db2.gz ZSWOLIMXVQPAMH-FGZHOGPDSA-N 2 1 383.580 3.525 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001436160477 1063248476 /nfs/dbraw/zinc/24/84/76/1063248476.db2.gz BCPMKCQWHRMTSN-HSZRJFAPSA-N 2 1 389.559 3.747 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC001457672350 1063305403 /nfs/dbraw/zinc/30/54/03/1063305403.db2.gz VDYMIZJDHNHYDV-NHTMILBNSA-N 2 1 391.559 3.660 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001457672350 1063305426 /nfs/dbraw/zinc/30/54/26/1063305426.db2.gz VDYMIZJDHNHYDV-NHTMILBNSA-N 2 1 391.559 3.660 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001457672350 1063305448 /nfs/dbraw/zinc/30/54/48/1063305448.db2.gz VDYMIZJDHNHYDV-NHTMILBNSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1cccc2ccccc21 ZINC001349389427 1063691989 /nfs/dbraw/zinc/69/19/89/1063691989.db2.gz MYDSTNYWOZZENE-MOPGFXCFSA-N 2 1 379.548 3.871 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001459315429 1064059543 /nfs/dbraw/zinc/05/95/43/1064059543.db2.gz LZLWYQZUGTYRAS-FGZHOGPDSA-N 2 1 399.966 3.970 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001459315429 1064059551 /nfs/dbraw/zinc/05/95/51/1064059551.db2.gz LZLWYQZUGTYRAS-FGZHOGPDSA-N 2 1 399.966 3.970 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001459789397 1064218266 /nfs/dbraw/zinc/21/82/66/1064218266.db2.gz ZTZJZHMCDAAMSZ-DCPHZVHLSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001459789397 1064218270 /nfs/dbraw/zinc/21/82/70/1064218270.db2.gz ZTZJZHMCDAAMSZ-DCPHZVHLSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001459789397 1064218277 /nfs/dbraw/zinc/21/82/77/1064218277.db2.gz ZTZJZHMCDAAMSZ-DCPHZVHLSA-N 2 1 399.362 3.682 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCCC[C@@H]3C(C)C)cc2)CC1 ZINC001459830669 1064236268 /nfs/dbraw/zinc/23/62/68/1064236268.db2.gz MAYBAIBTIRBVQE-JOCHJYFZSA-N 2 1 386.584 3.668 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001463402956 1064317191 /nfs/dbraw/zinc/31/71/91/1064317191.db2.gz XCFOAOHUTUTXTR-CWBXHPNXSA-N 2 1 383.580 3.538 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)CC1 ZINC000847366504 1065143447 /nfs/dbraw/zinc/14/34/47/1065143447.db2.gz DSCZDIBHHMJLPK-UHFFFAOYSA-N 2 1 392.547 3.883 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccnn3C3CCCCC3)CC2)CC1 ZINC000847429224 1065276055 /nfs/dbraw/zinc/27/60/55/1065276055.db2.gz HVYRSCLEURKDBI-UHFFFAOYSA-N 2 1 387.572 3.523 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001477579534 1078474775 /nfs/dbraw/zinc/47/47/75/1078474775.db2.gz YEHNTTBAJAIJFZ-ZCNNSNEGSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001477579534 1078474778 /nfs/dbraw/zinc/47/47/78/1078474778.db2.gz YEHNTTBAJAIJFZ-ZCNNSNEGSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001477579534 1078474780 /nfs/dbraw/zinc/47/47/80/1078474780.db2.gz YEHNTTBAJAIJFZ-ZCNNSNEGSA-N 2 1 388.600 3.563 20 0 GHADMP C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001467629723 1067391870 /nfs/dbraw/zinc/39/18/70/1067391870.db2.gz IWXZYSSRCUDKRC-PXNSSMCTSA-N 2 1 392.975 3.508 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC001467867606 1067507021 /nfs/dbraw/zinc/50/70/21/1067507021.db2.gz GWAIJIAXISDWOZ-WOJBJXKFSA-N 2 1 388.600 3.838 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001467867606 1067507028 /nfs/dbraw/zinc/50/70/28/1067507028.db2.gz GWAIJIAXISDWOZ-WOJBJXKFSA-N 2 1 388.600 3.838 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001467867606 1067507039 /nfs/dbraw/zinc/50/70/39/1067507039.db2.gz GWAIJIAXISDWOZ-WOJBJXKFSA-N 2 1 388.600 3.838 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC001467867202 1067507343 /nfs/dbraw/zinc/50/73/43/1067507343.db2.gz DRDITUITBOIGGI-MOPGFXCFSA-N 2 1 388.600 3.694 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001477786932 1078566558 /nfs/dbraw/zinc/56/65/58/1078566558.db2.gz IGFHJYGQLTYHQR-FSSWDIPSSA-N 2 1 386.584 3.555 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000849098273 1067726836 /nfs/dbraw/zinc/72/68/36/1067726836.db2.gz UNAOPZFOHQFFOD-QFIPXVFZSA-N 2 1 382.508 3.695 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000849098963 1067726935 /nfs/dbraw/zinc/72/69/35/1067726935.db2.gz VIYOABXKHCBESZ-KUHUBIRLSA-N 2 1 388.537 3.785 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC001468831276 1067903907 /nfs/dbraw/zinc/90/39/07/1067903907.db2.gz MHUKNDXBVPFTEC-CTNGQTDRSA-N 2 1 386.584 3.774 20 0 GHADMP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001468872194 1067914632 /nfs/dbraw/zinc/91/46/32/1067914632.db2.gz GWFLPOLHVQUKJY-GMAHTHKFSA-N 2 1 398.595 3.920 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1cccs1 ZINC001468978875 1067942918 /nfs/dbraw/zinc/94/29/18/1067942918.db2.gz WQOINHWNNJKPMQ-WMZOPIPTSA-N 2 1 392.613 3.693 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001478140082 1078738516 /nfs/dbraw/zinc/73/85/16/1078738516.db2.gz ZCYJYUITYPDGCH-OALUTQOASA-N 2 1 388.600 3.563 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187808 1068845670 /nfs/dbraw/zinc/84/56/70/1068845670.db2.gz TVTPYHVTRPADCG-QRQLOZEOSA-N 2 1 381.358 3.679 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187808 1068845680 /nfs/dbraw/zinc/84/56/80/1068845680.db2.gz TVTPYHVTRPADCG-QRQLOZEOSA-N 2 1 381.358 3.679 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187808 1068845693 /nfs/dbraw/zinc/84/56/93/1068845693.db2.gz TVTPYHVTRPADCG-QRQLOZEOSA-N 2 1 381.358 3.679 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001460550281 1068993245 /nfs/dbraw/zinc/99/32/45/1068993245.db2.gz CMUDXUBNFJFEGP-NFBKMPQASA-N 2 1 391.575 3.961 20 0 GHADMP c1ccc(C[NH+]2CCC[N@@H+](C[C@H]3CCCC34CCOCC4)CCOCC2)cc1 ZINC001460836407 1069210864 /nfs/dbraw/zinc/21/08/64/1069210864.db2.gz MMJZSMLFFUXPHC-HSZRJFAPSA-N 2 1 386.580 3.808 20 0 GHADMP c1ccc(C[NH+]2CCC[N@H+](C[C@H]3CCCC34CCOCC4)CCOCC2)cc1 ZINC001460836407 1069210870 /nfs/dbraw/zinc/21/08/70/1069210870.db2.gz MMJZSMLFFUXPHC-HSZRJFAPSA-N 2 1 386.580 3.808 20 0 GHADMP c1ccc(C[N@H+]2CCC[NH+](C[C@H]3CCCC34CCOCC4)CCOCC2)cc1 ZINC001460836407 1069210878 /nfs/dbraw/zinc/21/08/78/1069210878.db2.gz MMJZSMLFFUXPHC-HSZRJFAPSA-N 2 1 386.580 3.808 20 0 GHADMP c1ccc(C[N@@H+]2CCC[NH+](C[C@H]3CCCC34CCOCC4)CCOCC2)cc1 ZINC001460836407 1069210887 /nfs/dbraw/zinc/21/08/87/1069210887.db2.gz MMJZSMLFFUXPHC-HSZRJFAPSA-N 2 1 386.580 3.808 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618809 1078937368 /nfs/dbraw/zinc/93/73/68/1078937368.db2.gz UOFDVHFXZUFLJL-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C(C)C)c1ccc(Cl)cc1 ZINC001478616888 1078936131 /nfs/dbraw/zinc/93/61/31/1078936131.db2.gz AOAKJWRYFVUZGQ-LPHOPBHVSA-N 2 1 382.980 3.751 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001478616888 1078936135 /nfs/dbraw/zinc/93/61/35/1078936135.db2.gz AOAKJWRYFVUZGQ-LPHOPBHVSA-N 2 1 382.980 3.751 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001478616888 1078936141 /nfs/dbraw/zinc/93/61/41/1078936141.db2.gz AOAKJWRYFVUZGQ-LPHOPBHVSA-N 2 1 382.980 3.751 20 0 GHADMP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001470773532 1072729599 /nfs/dbraw/zinc/72/95/99/1072729599.db2.gz QDXMIOHPEQSJPV-IBGZPJMESA-N 2 1 384.568 3.643 20 0 GHADMP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001470773532 1072729604 /nfs/dbraw/zinc/72/96/04/1072729604.db2.gz QDXMIOHPEQSJPV-IBGZPJMESA-N 2 1 384.568 3.643 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001470779579 1072735549 /nfs/dbraw/zinc/73/55/49/1072735549.db2.gz YYIYFHWETSGLOK-ZRZAMGCNSA-N 2 1 397.588 3.794 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001470830744 1072761130 /nfs/dbraw/zinc/76/11/30/1072761130.db2.gz JFQBJRIOYYMVSZ-DHIUTWEWSA-N 2 1 377.532 3.523 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001470830744 1072761136 /nfs/dbraw/zinc/76/11/36/1072761136.db2.gz JFQBJRIOYYMVSZ-DHIUTWEWSA-N 2 1 377.532 3.523 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC001478890538 1079015966 /nfs/dbraw/zinc/01/59/66/1079015966.db2.gz BOUHISOVQJULJK-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001478890538 1079015973 /nfs/dbraw/zinc/01/59/73/1079015973.db2.gz BOUHISOVQJULJK-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001478890538 1079015982 /nfs/dbraw/zinc/01/59/82/1079015982.db2.gz BOUHISOVQJULJK-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)Cc1ccccc1 ZINC001478928536 1079030088 /nfs/dbraw/zinc/03/00/88/1079030088.db2.gz DPPMECRDBGTBBO-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC001478928536 1079030092 /nfs/dbraw/zinc/03/00/92/1079030092.db2.gz DPPMECRDBGTBBO-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC001478928536 1079030098 /nfs/dbraw/zinc/03/00/98/1079030098.db2.gz DPPMECRDBGTBBO-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001471505811 1073109286 /nfs/dbraw/zinc/10/92/86/1073109286.db2.gz WVQYLUNRVMOJST-ZZOCVYOHSA-N 2 1 398.595 3.698 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC3CC3)c3ccc(C)cc3)CC2)CC1 ZINC001471881679 1073242555 /nfs/dbraw/zinc/24/25/55/1073242555.db2.gz BOOJQCONKCIOJA-UHFFFAOYSA-N 2 1 383.580 3.934 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001479142714 1079121500 /nfs/dbraw/zinc/12/15/00/1079121500.db2.gz KLPGJSORICDEBZ-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001479142714 1079121505 /nfs/dbraw/zinc/12/15/05/1079121505.db2.gz KLPGJSORICDEBZ-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001479142714 1079121506 /nfs/dbraw/zinc/12/15/06/1079121506.db2.gz KLPGJSORICDEBZ-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC[NH+]1Cc1ccccc1 ZINC001479142714 1079121507 /nfs/dbraw/zinc/12/15/07/1079121507.db2.gz KLPGJSORICDEBZ-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC[NH+]1Cc1ccccc1 ZINC001479142714 1079121508 /nfs/dbraw/zinc/12/15/08/1079121508.db2.gz KLPGJSORICDEBZ-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C)c1ccccc1 ZINC001473266472 1073898284 /nfs/dbraw/zinc/89/82/84/1073898284.db2.gz ZTUPFVKQUUKFMM-OAQYLSRUSA-N 2 1 385.527 3.845 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001473407033 1073951764 /nfs/dbraw/zinc/95/17/64/1073951764.db2.gz MMBVQLMFXKUEGN-APWZRJJASA-N 2 1 388.474 3.811 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C4CCCCC4)C3)CC2)cc1 ZINC001473622478 1074053159 /nfs/dbraw/zinc/05/31/59/1074053159.db2.gz ZOLKTVAGYVRYHN-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C4CCCCC4)C3)CC2)cc1 ZINC001473622478 1074053164 /nfs/dbraw/zinc/05/31/64/1074053164.db2.gz ZOLKTVAGYVRYHN-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](C4CCCCC4)C3)CC2)cc1 ZINC001473622478 1074053170 /nfs/dbraw/zinc/05/31/70/1074053170.db2.gz ZOLKTVAGYVRYHN-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718653 1074105126 /nfs/dbraw/zinc/10/51/26/1074105126.db2.gz NJEXLXZMAPFANF-DQEYMECFSA-N 2 1 392.543 3.746 20 0 GHADMP C[C@H](C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)(C)C ZINC001473778917 1074138374 /nfs/dbraw/zinc/13/83/74/1074138374.db2.gz HIOKKCXFYKMQPR-QGZVFWFLSA-N 2 1 377.598 3.788 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001473809633 1074154492 /nfs/dbraw/zinc/15/44/92/1074154492.db2.gz OVMUIJYYNZTMCY-MRXNPFEDSA-N 2 1 379.460 3.715 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001473809633 1074154496 /nfs/dbraw/zinc/15/44/96/1074154496.db2.gz OVMUIJYYNZTMCY-MRXNPFEDSA-N 2 1 379.460 3.715 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC001473912344 1074200717 /nfs/dbraw/zinc/20/07/17/1074200717.db2.gz LCXGDLUNAUXGTA-UHFFFAOYSA-N 2 1 379.346 3.621 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Br)cc3F)CC2)nc(C)[nH+]1 ZINC001474029506 1074241145 /nfs/dbraw/zinc/24/11/45/1074241145.db2.gz VULZKOVRKZXGJO-UHFFFAOYSA-N 2 1 393.304 3.754 20 0 GHADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001474380761 1074375331 /nfs/dbraw/zinc/37/53/31/1074375331.db2.gz BEZFKDOCEGNNMG-CQSZACIVSA-N 2 1 392.446 3.838 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(I)s3)C2)CC1 ZINC001474503770 1074436747 /nfs/dbraw/zinc/43/67/47/1074436747.db2.gz QKZDIJACADVRJB-ZDUSSCGKSA-N 2 1 390.334 3.516 20 0 GHADMP COCn1ncc(C)c1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001474536265 1074454373 /nfs/dbraw/zinc/45/43/73/1074454373.db2.gz RXILNXSPMMTHMI-HSZRJFAPSA-N 2 1 396.579 3.918 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c2c1OC(F)(F)O2 ZINC001474653420 1074501047 /nfs/dbraw/zinc/50/10/47/1074501047.db2.gz VVMYIYDUEXVWBY-HNNXBMFYSA-N 2 1 390.430 3.765 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC001474694494 1074519478 /nfs/dbraw/zinc/51/94/78/1074519478.db2.gz GFVIWBSQYDLILW-AEFFLSMTSA-N 2 1 378.442 3.860 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC001474694494 1074519482 /nfs/dbraw/zinc/51/94/82/1074519482.db2.gz GFVIWBSQYDLILW-AEFFLSMTSA-N 2 1 378.442 3.860 20 0 GHADMP CC[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC[N@H+](C)[C@@H](C)CC ZINC001495776796 1079429515 /nfs/dbraw/zinc/42/95/15/1079429515.db2.gz DUNHVAKQDMLNOH-OALUTQOASA-N 2 1 390.620 3.587 20 0 GHADMP Cc1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753456 720867618 /nfs/dbraw/zinc/86/76/18/720867618.db2.gz PMZCLHNUSYAEOI-LADGPHEKSA-N 2 1 392.547 3.540 20 0 GHADMP Cc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753456 720867621 /nfs/dbraw/zinc/86/76/21/720867621.db2.gz PMZCLHNUSYAEOI-LADGPHEKSA-N 2 1 392.547 3.540 20 0 GHADMP Cc1cc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164985012 722130400 /nfs/dbraw/zinc/13/04/00/722130400.db2.gz YTUIVQJWCLCZNH-GGAORHGYSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cc2ccccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164985012 722130403 /nfs/dbraw/zinc/13/04/03/722130403.db2.gz YTUIVQJWCLCZNH-GGAORHGYSA-N 2 1 388.515 3.666 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000471389511 837500605 /nfs/dbraw/zinc/50/06/05/837500605.db2.gz VEWNFUSNOMXIOI-HXUWFJFHSA-N 2 1 391.559 3.777 20 0 GHADMP Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000376485297 837530900 /nfs/dbraw/zinc/53/09/00/837530900.db2.gz PZMYHSFEHFMZMS-UHFFFAOYSA-N 2 1 386.584 3.963 20 0 GHADMP CC(C)C[C@H]([NH2+][C@@H](C)c1csc(-c2ccccc2)n1)C(=O)NCC[NH+](C)C ZINC000414099246 837532318 /nfs/dbraw/zinc/53/23/18/837532318.db2.gz QAUYFJJUTFQVCH-WMZOPIPTSA-N 2 1 388.581 3.553 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000187195210 837577337 /nfs/dbraw/zinc/57/73/37/837577337.db2.gz MKIZHUKEKMTJGT-GOSISDBHSA-N 2 1 391.987 3.710 20 0 GHADMP Cc1cccc(COc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000655688868 837610522 /nfs/dbraw/zinc/61/05/22/837610522.db2.gz NYCWHJFVSBCVDD-HSZRJFAPSA-N 2 1 380.532 3.917 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655691132 837672021 /nfs/dbraw/zinc/67/20/21/837672021.db2.gz QPGZXMKINSSVAZ-IBGZPJMESA-N 2 1 395.385 3.960 20 0 GHADMP c1ccc(-c2ccccc2OCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655700413 837689482 /nfs/dbraw/zinc/68/94/82/837689482.db2.gz HAPKTDPFFFNKTH-JOCHJYFZSA-N 2 1 380.532 3.965 20 0 GHADMP CC1CC[NH+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000655698867 837689571 /nfs/dbraw/zinc/68/95/71/837689571.db2.gz YOLZSNSMFUMIMH-DEOSSOPVSA-N 3 1 385.596 3.652 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000655704307 837692073 /nfs/dbraw/zinc/69/20/73/837692073.db2.gz AHIQDGAYRZGHPE-UHFFFAOYSA-N 2 1 377.330 3.519 20 0 GHADMP c1ccc(CC2CC[NH+](CCCC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655712507 837703899 /nfs/dbraw/zinc/70/38/99/837703899.db2.gz SIIIKQIGFSUTKV-VWLOTQADSA-N 3 1 399.623 3.564 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000655721330 837735979 /nfs/dbraw/zinc/73/59/79/837735979.db2.gz NJHNGMSJCJXZJS-INIZCTEOSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000655721330 837735988 /nfs/dbraw/zinc/73/59/88/837735988.db2.gz NJHNGMSJCJXZJS-INIZCTEOSA-N 2 1 391.357 3.763 20 0 GHADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000654701052 834349110 /nfs/dbraw/zinc/34/91/10/834349110.db2.gz UIYLZHLLOMSFDO-HSZRJFAPSA-N 2 1 383.580 3.623 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2cn(-c3ccc(C)cc3)nc2C)[C@H](C)C1 ZINC000655734765 837764167 /nfs/dbraw/zinc/76/41/67/837764167.db2.gz AVIMIFMJKRXJNF-XXBNENTESA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@H](C)C1 ZINC000655734765 837764189 /nfs/dbraw/zinc/76/41/89/837764189.db2.gz AVIMIFMJKRXJNF-XXBNENTESA-N 2 1 384.568 3.716 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274573999 834445926 /nfs/dbraw/zinc/44/59/26/834445926.db2.gz JJINHSQTBZLWBT-DAZPURJESA-N 2 1 379.548 3.712 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274573999 834445931 /nfs/dbraw/zinc/44/59/31/834445931.db2.gz JJINHSQTBZLWBT-DAZPURJESA-N 2 1 379.548 3.712 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000278758180 834518471 /nfs/dbraw/zinc/51/84/71/834518471.db2.gz SWWGJWUBGQOIBN-CVDCTZTESA-N 2 1 398.595 3.555 20 0 GHADMP CCCOc1c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cccc1OCC ZINC000650705230 834518606 /nfs/dbraw/zinc/51/86/06/834518606.db2.gz ACMRGGKHNQVDOA-CUWPLCDZSA-N 2 1 376.541 3.592 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OCCC(C)C ZINC000650706047 834530749 /nfs/dbraw/zinc/53/07/49/834530749.db2.gz CMXYJZLGNMHZFK-JAXLGGSGSA-N 2 1 390.568 3.838 20 0 GHADMP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655736951 837780536 /nfs/dbraw/zinc/78/05/36/837780536.db2.gz ITNIFDHPMUWUEP-KBXCAEBGSA-N 2 1 399.348 3.752 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)C1 ZINC000650707984 834548019 /nfs/dbraw/zinc/54/80/19/834548019.db2.gz RCJXEHVJGDXJDZ-OZOXKJRCSA-N 2 1 378.944 3.847 20 0 GHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511253533 834554261 /nfs/dbraw/zinc/55/42/61/834554261.db2.gz OCFAWFXVVKGPRT-KNBMTAEXSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511253533 834554264 /nfs/dbraw/zinc/55/42/64/834554264.db2.gz OCFAWFXVVKGPRT-KNBMTAEXSA-N 2 1 377.960 3.712 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000472292570 834582668 /nfs/dbraw/zinc/58/26/68/834582668.db2.gz ITDMCSCQFMUBRX-GOSISDBHSA-N 2 1 377.916 3.928 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000472292570 834582675 /nfs/dbraw/zinc/58/26/75/834582675.db2.gz ITDMCSCQFMUBRX-GOSISDBHSA-N 2 1 377.916 3.928 20 0 GHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCc1cccs1 ZINC000647334130 834594556 /nfs/dbraw/zinc/59/45/56/834594556.db2.gz GGZKXRLGYOBYCC-XAPVIXHLSA-N 2 1 397.588 3.928 20 0 GHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCc1cccs1 ZINC000647334130 834594566 /nfs/dbraw/zinc/59/45/66/834594566.db2.gz GGZKXRLGYOBYCC-XAPVIXHLSA-N 2 1 397.588 3.928 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000579780301 834657064 /nfs/dbraw/zinc/65/70/64/834657064.db2.gz CSCQPJXUFBZPCR-JOCHJYFZSA-N 2 1 380.536 3.690 20 0 GHADMP FC(F)(F)CN1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000657772013 834685259 /nfs/dbraw/zinc/68/52/59/834685259.db2.gz IPRXDEIIOVBJMG-IBGZPJMESA-N 2 1 395.513 3.905 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000430166072 834723777 /nfs/dbraw/zinc/72/37/77/834723777.db2.gz NQIUAPXEMJSMPC-QHCPKHFHSA-N 2 1 376.504 3.968 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000510054613 834725331 /nfs/dbraw/zinc/72/53/31/834725331.db2.gz IGUINJMHIOGCKO-OAHLLOKOSA-N 2 1 387.355 3.873 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772851 834727703 /nfs/dbraw/zinc/72/77/03/834727703.db2.gz XMSXSXJHPKSODG-JOCHJYFZSA-N 2 1 387.531 3.864 20 0 GHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044913424 834806637 /nfs/dbraw/zinc/80/66/37/834806637.db2.gz KDQILSQWNMFZPA-UHFFFAOYSA-N 2 1 398.378 3.808 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000151133708 835004728 /nfs/dbraw/zinc/00/47/28/835004728.db2.gz BGQGRJSFBFHZFU-MOPGFXCFSA-N 2 1 389.588 3.768 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000151133708 835004734 /nfs/dbraw/zinc/00/47/34/835004734.db2.gz BGQGRJSFBFHZFU-MOPGFXCFSA-N 2 1 389.588 3.768 20 0 GHADMP CN(Cc1cc(Br)c2c(c1)OCCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443834 835013885 /nfs/dbraw/zinc/01/38/85/835013885.db2.gz YVVMFROXBSSEPC-XYPWUTKMSA-N 2 1 395.341 3.667 20 0 GHADMP C[N@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443834 835013896 /nfs/dbraw/zinc/01/38/96/835013896.db2.gz YVVMFROXBSSEPC-XYPWUTKMSA-N 2 1 395.341 3.667 20 0 GHADMP C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443834 835013907 /nfs/dbraw/zinc/01/39/07/835013907.db2.gz YVVMFROXBSSEPC-XYPWUTKMSA-N 2 1 395.341 3.667 20 0 GHADMP C[NH+](Cc1cc(Br)c2c(c1)OCCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443834 835013918 /nfs/dbraw/zinc/01/39/18/835013918.db2.gz YVVMFROXBSSEPC-XYPWUTKMSA-N 2 1 395.341 3.667 20 0 GHADMP C[NH+](Cc1cc(Br)c2c(c1)OCCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443834 835013927 /nfs/dbraw/zinc/01/39/27/835013927.db2.gz YVVMFROXBSSEPC-XYPWUTKMSA-N 2 1 395.341 3.667 20 0 GHADMP CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000685469983 835034670 /nfs/dbraw/zinc/03/46/70/835034670.db2.gz CJWTXRRAOPVROO-BBRMVZONSA-N 2 1 385.346 3.628 20 0 GHADMP CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000685469983 835034679 /nfs/dbraw/zinc/03/46/79/835034679.db2.gz CJWTXRRAOPVROO-BBRMVZONSA-N 2 1 385.346 3.628 20 0 GHADMP Cc1cc(C)n2c(C[N@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)cnc2n1 ZINC000472341748 835147509 /nfs/dbraw/zinc/14/75/09/835147509.db2.gz HFXMDGZOKVIFQR-IRLDBZIGSA-N 2 1 377.536 3.518 20 0 GHADMP CSc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000685612810 835225525 /nfs/dbraw/zinc/22/55/25/835225525.db2.gz HTTDUMHKKYICFZ-LJQANCHMSA-N 2 1 375.607 3.938 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000685644163 835254890 /nfs/dbraw/zinc/25/48/90/835254890.db2.gz YHJJQCQPKIYRLN-FXAWDEMLSA-N 2 1 380.561 3.936 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000655153587 835292256 /nfs/dbraw/zinc/29/22/56/835292256.db2.gz UHIJBIVXMABVBO-SFHVURJKSA-N 2 1 392.503 3.518 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000430234508 835301371 /nfs/dbraw/zinc/30/13/71/835301371.db2.gz AJAXJTBGISMQQC-HXUWFJFHSA-N 2 1 381.568 3.803 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000430234508 835301378 /nfs/dbraw/zinc/30/13/78/835301378.db2.gz AJAXJTBGISMQQC-HXUWFJFHSA-N 2 1 381.568 3.803 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)C1 ZINC000536171204 835310329 /nfs/dbraw/zinc/31/03/29/835310329.db2.gz PIRSGJHTFGCMMK-BPQIPLTHSA-N 2 1 391.506 3.703 20 0 GHADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657970503 835327331 /nfs/dbraw/zinc/32/73/31/835327331.db2.gz FAVSLVXQDVVIGY-NEWJYFPISA-N 2 1 386.580 3.708 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309757447 835351987 /nfs/dbraw/zinc/35/19/87/835351987.db2.gz XGUQPVUXTNQFLK-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146465 835457370 /nfs/dbraw/zinc/45/73/70/835457370.db2.gz VGCIMUAFEAQPMZ-FOIQADDNSA-N 2 1 389.337 3.867 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCN(c4ccccn4)CC3)C3(CCC3)C2)cc1 ZINC000658320426 835573166 /nfs/dbraw/zinc/57/31/66/835573166.db2.gz XQPZEFOYACMPEG-JOCHJYFZSA-N 2 1 390.575 3.942 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274862622 835705212 /nfs/dbraw/zinc/70/52/12/835705212.db2.gz DDEIUXTUWBMGLX-SIKLNZKXSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000584232200 835788800 /nfs/dbraw/zinc/78/88/00/835788800.db2.gz JLCXBFXDZOWNTI-RWMBFGLXSA-N 2 1 389.849 3.617 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000109311173 835797323 /nfs/dbraw/zinc/79/73/23/835797323.db2.gz YKWYFLHSDFTWRT-LEWJYISDSA-N 2 1 383.536 3.691 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc2ccncc2s1 ZINC000657841179 835915799 /nfs/dbraw/zinc/91/57/99/835915799.db2.gz ACGXXSYMEGXNFF-KRWDZBQOSA-N 2 1 380.561 3.895 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)c(Cl)c1 ZINC000657847953 835928825 /nfs/dbraw/zinc/92/88/25/835928825.db2.gz YUYFLFYUBDWWFB-GFCCVEGCSA-N 2 1 375.738 3.600 20 0 GHADMP C[C@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000584468045 836035652 /nfs/dbraw/zinc/03/56/52/836035652.db2.gz VQWRLPKQROEKJA-UGKGYDQZSA-N 2 1 379.548 3.836 20 0 GHADMP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480627 836210771 /nfs/dbraw/zinc/21/07/71/836210771.db2.gz VKODBZJFXLGLLK-VQIMIIECSA-N 2 1 389.341 3.599 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480627 836210779 /nfs/dbraw/zinc/21/07/79/836210779.db2.gz VKODBZJFXLGLLK-VQIMIIECSA-N 2 1 389.341 3.599 20 0 GHADMP CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000581997881 844139438 /nfs/dbraw/zinc/13/94/38/844139438.db2.gz HIJDKZVZQSGHIA-DNQXCXABSA-N 2 1 382.548 3.536 20 0 GHADMP COC(=O)c1ccccc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931820 836239581 /nfs/dbraw/zinc/23/95/81/836239581.db2.gz CRHBUMCEJUNDHV-QFIPXVFZSA-N 2 1 396.531 3.742 20 0 GHADMP COC(=O)c1ccccc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931820 836239592 /nfs/dbraw/zinc/23/95/92/836239592.db2.gz CRHBUMCEJUNDHV-QFIPXVFZSA-N 2 1 396.531 3.742 20 0 GHADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1C ZINC000613393671 836279400 /nfs/dbraw/zinc/27/94/00/836279400.db2.gz NIRHHWCFNMOBOX-UHFFFAOYSA-N 2 1 379.548 3.729 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000092665144 844156642 /nfs/dbraw/zinc/15/66/42/844156642.db2.gz RCVKXYZESVCJSX-SFTDATJTSA-N 2 1 378.564 3.739 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC([NH2+]C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000893819328 844167848 /nfs/dbraw/zinc/16/78/48/844167848.db2.gz JVAIRSNGJPSZTJ-PZJWPPBQSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155212177 836584870 /nfs/dbraw/zinc/58/48/70/836584870.db2.gz PMWUQAWZOMQWLH-DENIHFKCSA-N 2 1 386.584 3.554 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000892509892 836630987 /nfs/dbraw/zinc/63/09/87/836630987.db2.gz DNHIQJQZQNIPCL-HDICACEKSA-N 2 1 384.568 3.980 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)C[C@H](C)O1 ZINC000170780008 836667354 /nfs/dbraw/zinc/66/73/54/836667354.db2.gz IZJALIFCDLEIAF-IYBDPMFKSA-N 2 1 390.959 3.548 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)C[C@H](C)O1 ZINC000170780008 836667360 /nfs/dbraw/zinc/66/73/60/836667360.db2.gz IZJALIFCDLEIAF-IYBDPMFKSA-N 2 1 390.959 3.548 20 0 GHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000376056424 836689612 /nfs/dbraw/zinc/68/96/12/836689612.db2.gz VMUNXXQDDUTSMZ-HXUWFJFHSA-N 2 1 390.524 3.676 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376062011 836717387 /nfs/dbraw/zinc/71/73/87/836717387.db2.gz NOWYKBZKEGJRQH-RCOXNQKVSA-N 2 1 396.535 3.667 20 0 GHADMP COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001167233382 836978389 /nfs/dbraw/zinc/97/83/89/836978389.db2.gz KABFOALGMIRZDR-HSZRJFAPSA-N 2 1 380.532 3.735 20 0 GHADMP COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167233382 836978397 /nfs/dbraw/zinc/97/83/97/836978397.db2.gz KABFOALGMIRZDR-HSZRJFAPSA-N 2 1 380.532 3.735 20 0 GHADMP COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167233382 836978412 /nfs/dbraw/zinc/97/84/12/836978412.db2.gz KABFOALGMIRZDR-HSZRJFAPSA-N 2 1 380.532 3.735 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCn3cnc4ccccc43)CC2)cc1 ZINC000161550325 837042167 /nfs/dbraw/zinc/04/21/67/837042167.db2.gz ONSKHBIHCWDZOC-UHFFFAOYSA-N 2 1 380.511 3.862 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548490941 844236851 /nfs/dbraw/zinc/23/68/51/844236851.db2.gz XIVZPDHZLYEVEJ-FTBPSBKWSA-N 2 1 393.575 3.560 20 0 GHADMP CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000414324445 837133090 /nfs/dbraw/zinc/13/30/90/837133090.db2.gz VWTGRYGFAKOWOR-UHFFFAOYSA-N 2 1 392.590 3.817 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000121261443 837193030 /nfs/dbraw/zinc/19/30/30/837193030.db2.gz WQLQCSOXCMHGLE-JOCHJYFZSA-N 2 1 390.474 3.699 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N(C)CC(C)(C)[NH3+])cc1)C[C@@H]1CCCCO1 ZINC000659006543 837222456 /nfs/dbraw/zinc/22/24/56/837222456.db2.gz DWOQFBVQZCKLBX-FQEVSTJZSA-N 2 1 390.572 3.667 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2cccs2)C2CC2)CC1 ZINC000051408501 837958519 /nfs/dbraw/zinc/95/85/19/837958519.db2.gz PHFRSDRZVLNBEA-UHFFFAOYSA-N 2 1 397.588 3.802 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccs2)C2CC2)CC1 ZINC000051408501 837958525 /nfs/dbraw/zinc/95/85/25/837958525.db2.gz PHFRSDRZVLNBEA-UHFFFAOYSA-N 2 1 397.588 3.802 20 0 GHADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579953604 838016502 /nfs/dbraw/zinc/01/65/02/838016502.db2.gz XTNHKEBEWAOBAS-OIBXWCBGSA-N 2 1 391.559 3.602 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1)C(C)C ZINC000535638126 838116069 /nfs/dbraw/zinc/11/60/69/838116069.db2.gz MTNOKLVRBULMCG-UHFFFAOYSA-N 2 1 397.563 3.827 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000424328951 838256688 /nfs/dbraw/zinc/25/66/88/838256688.db2.gz QBVYXPKBMDDFMA-PKTZIBPZSA-N 2 1 379.548 3.551 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000424328951 838256692 /nfs/dbraw/zinc/25/66/92/838256692.db2.gz QBVYXPKBMDDFMA-PKTZIBPZSA-N 2 1 379.548 3.551 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312589868 838273754 /nfs/dbraw/zinc/27/37/54/838273754.db2.gz DMDJEWPEIDHFSD-QUCCMNQESA-N 2 1 386.561 3.653 20 0 GHADMP C[C@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659319667 838279087 /nfs/dbraw/zinc/27/90/87/838279087.db2.gz SRTKXEWKCDEIDE-TZYHBYERSA-N 2 1 391.559 3.706 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415943830 838297336 /nfs/dbraw/zinc/29/73/36/838297336.db2.gz NIHYTLKHTFIZEI-WIYYLYMNSA-N 2 1 380.536 3.828 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CC1 ZINC000415968255 838334736 /nfs/dbraw/zinc/33/47/36/838334736.db2.gz DXGJRICVADCULM-NRFANRHFSA-N 2 1 396.510 3.504 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659380226 838344285 /nfs/dbraw/zinc/34/42/85/838344285.db2.gz BGDCJBCIFDXVIW-GMAHTHKFSA-N 2 1 389.543 3.640 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981521 838351273 /nfs/dbraw/zinc/35/12/73/838351273.db2.gz VTMGTJPKRRGBBF-JTSKRJEESA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981521 838351281 /nfs/dbraw/zinc/35/12/81/838351281.db2.gz VTMGTJPKRRGBBF-JTSKRJEESA-N 2 1 395.551 3.613 20 0 GHADMP CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415997629 838386674 /nfs/dbraw/zinc/38/66/74/838386674.db2.gz QBSKTGKDTVOBEU-JTSKRJEESA-N 2 1 378.520 3.979 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000275687206 838419762 /nfs/dbraw/zinc/41/97/62/838419762.db2.gz QWRJFUAVNOEJTE-DENIHFKCSA-N 2 1 394.563 3.965 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nn2)c1 ZINC000892696410 838511462 /nfs/dbraw/zinc/51/14/62/838511462.db2.gz IPFOCXVYMGGCPZ-UHFFFAOYSA-N 2 1 399.539 3.954 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nn2)c1 ZINC000892696410 838511470 /nfs/dbraw/zinc/51/14/70/838511470.db2.gz IPFOCXVYMGGCPZ-UHFFFAOYSA-N 2 1 399.539 3.954 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000548064299 838904644 /nfs/dbraw/zinc/90/46/44/838904644.db2.gz OGBRZMYOQGHHSW-UWJYYQICSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000548064299 838904649 /nfs/dbraw/zinc/90/46/49/838904649.db2.gz OGBRZMYOQGHHSW-UWJYYQICSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000548064299 838904660 /nfs/dbraw/zinc/90/46/60/838904660.db2.gz OGBRZMYOQGHHSW-UWJYYQICSA-N 2 1 377.598 3.902 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000188966189 839005414 /nfs/dbraw/zinc/00/54/14/839005414.db2.gz OAOGJURSOIOXKP-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644708 839058562 /nfs/dbraw/zinc/05/85/62/839058562.db2.gz XRUBZXZHEQKPTQ-INIZCTEOSA-N 2 1 378.948 3.650 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000189051440 839062234 /nfs/dbraw/zinc/06/22/34/839062234.db2.gz UDHYBRCGHAGUFR-KSFYIVLOSA-N 2 1 392.478 3.772 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471548196 839136718 /nfs/dbraw/zinc/13/67/18/839136718.db2.gz QIPZTBLJVFEGMH-WWPVKYPJSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471548194 839160074 /nfs/dbraw/zinc/16/00/74/839160074.db2.gz QIPZTBLJVFEGMH-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)CC1 ZINC000047791946 839211015 /nfs/dbraw/zinc/21/10/15/839211015.db2.gz LGLKIFKWZJZWMW-OAQYLSRUSA-N 2 1 398.551 3.614 20 0 GHADMP c1c(C[NH2+]CCC[NH+]2CCCCC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000236652946 839301397 /nfs/dbraw/zinc/30/13/97/839301397.db2.gz FBZHSRWTEXCIHM-UHFFFAOYSA-N 2 1 389.547 3.959 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189349532 839339113 /nfs/dbraw/zinc/33/91/13/839339113.db2.gz QWIZRLZUWUVKGW-HDYDNRTBSA-N 2 1 397.563 3.551 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000183689073 839354425 /nfs/dbraw/zinc/35/44/25/839354425.db2.gz IXWFXJCJRHUDBP-HRAATJIYSA-N 2 1 376.460 3.857 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1F ZINC000535777638 844435540 /nfs/dbraw/zinc/43/55/40/844435540.db2.gz LKVZTYMDXWNITE-YJBOKZPZSA-N 2 1 377.529 3.535 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC000309791163 839517121 /nfs/dbraw/zinc/51/71/21/839517121.db2.gz OUFFJBACVOGNHX-DOADOZAASA-N 2 1 375.557 3.788 20 0 GHADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000415467295 839811594 /nfs/dbraw/zinc/81/15/94/839811594.db2.gz URHNQESFXNPMSH-IAGOWNOFSA-N 2 1 394.519 3.515 20 0 GHADMP CCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(-c2ccccc2)n1 ZINC000641703342 840222924 /nfs/dbraw/zinc/22/29/24/840222924.db2.gz OWCNCEGQPKOGMA-UHFFFAOYSA-N 2 1 390.531 3.692 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000580834675 840309557 /nfs/dbraw/zinc/30/95/57/840309557.db2.gz QTPHAGQQPSOJCA-UMGGQSCQSA-N 2 1 379.504 3.865 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000580834675 840309570 /nfs/dbraw/zinc/30/95/70/840309570.db2.gz QTPHAGQQPSOJCA-UMGGQSCQSA-N 2 1 379.504 3.865 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416975890 840319781 /nfs/dbraw/zinc/31/97/81/840319781.db2.gz NIJQTEHIZUGFAI-DENIHFKCSA-N 2 1 398.595 3.592 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000093006856 840346449 /nfs/dbraw/zinc/34/64/49/840346449.db2.gz JRLPZOLTQBXAGY-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]21 ZINC000584784180 840854028 /nfs/dbraw/zinc/85/40/28/840854028.db2.gz MYCUTDMYJKACBD-VNQPRFMTSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]21 ZINC000584784180 840854040 /nfs/dbraw/zinc/85/40/40/840854040.db2.gz MYCUTDMYJKACBD-VNQPRFMTSA-N 2 1 376.298 3.663 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000511636475 841003321 /nfs/dbraw/zinc/00/33/21/841003321.db2.gz WNRNIDKANFGNQU-HNNXBMFYSA-N 2 1 385.474 3.687 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000511636475 841003330 /nfs/dbraw/zinc/00/33/30/841003330.db2.gz WNRNIDKANFGNQU-HNNXBMFYSA-N 2 1 385.474 3.687 20 0 GHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652975 841060649 /nfs/dbraw/zinc/06/06/49/841060649.db2.gz NQYSBWLBFYDFGJ-GBXCKJPGSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652975 841060664 /nfs/dbraw/zinc/06/06/64/841060664.db2.gz NQYSBWLBFYDFGJ-GBXCKJPGSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652975 841060679 /nfs/dbraw/zinc/06/06/79/841060679.db2.gz NQYSBWLBFYDFGJ-GBXCKJPGSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652975 841060689 /nfs/dbraw/zinc/06/06/89/841060689.db2.gz NQYSBWLBFYDFGJ-GBXCKJPGSA-N 2 1 396.531 3.636 20 0 GHADMP CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000417784249 841195431 /nfs/dbraw/zinc/19/54/31/841195431.db2.gz BYGSURGKLORNRC-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000417784249 841195434 /nfs/dbraw/zinc/19/54/34/841195434.db2.gz BYGSURGKLORNRC-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000417784249 841195439 /nfs/dbraw/zinc/19/54/39/841195439.db2.gz BYGSURGKLORNRC-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000417784249 841195445 /nfs/dbraw/zinc/19/54/45/841195445.db2.gz BYGSURGKLORNRC-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2nccc2-c2ccncc2)CC1 ZINC000067094908 844618897 /nfs/dbraw/zinc/61/88/97/844618897.db2.gz SUOBIOVWFKTJPS-UHFFFAOYSA-N 2 1 375.520 3.747 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000417880971 841236630 /nfs/dbraw/zinc/23/66/30/841236630.db2.gz QSUAAIPRKPBOBF-UHFFFAOYSA-N 2 1 394.563 3.911 20 0 GHADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001167458146 841258705 /nfs/dbraw/zinc/25/87/05/841258705.db2.gz QMQJPRCXTAQEBC-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@@H](C)[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001167458146 841258716 /nfs/dbraw/zinc/25/87/16/841258716.db2.gz QMQJPRCXTAQEBC-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@@H](C)[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001167458146 841258721 /nfs/dbraw/zinc/25/87/21/841258721.db2.gz QMQJPRCXTAQEBC-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1Sc2ccccc2NC1=O ZINC000660307442 841260243 /nfs/dbraw/zinc/26/02/43/841260243.db2.gz XXDUGHOJWJDERP-SFGWALBWSA-N 2 1 395.572 3.990 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000500056580 841344155 /nfs/dbraw/zinc/34/41/55/841344155.db2.gz YRXYAGHHEMWCGG-OAHLLOKOSA-N 2 1 381.948 3.920 20 0 GHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000417982391 841353979 /nfs/dbraw/zinc/35/39/79/841353979.db2.gz ADRIZFLHAROBMU-AABGKKOBSA-N 2 1 396.526 3.503 20 0 GHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000417982391 841353991 /nfs/dbraw/zinc/35/39/91/841353991.db2.gz ADRIZFLHAROBMU-AABGKKOBSA-N 2 1 396.526 3.503 20 0 GHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417982395 841355265 /nfs/dbraw/zinc/35/52/65/841355265.db2.gz ADRIZFLHAROBMU-VAMGGRTRSA-N 2 1 396.526 3.503 20 0 GHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417982395 841355279 /nfs/dbraw/zinc/35/52/79/841355279.db2.gz ADRIZFLHAROBMU-VAMGGRTRSA-N 2 1 396.526 3.503 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000177491479 861193370 /nfs/dbraw/zinc/19/33/70/861193370.db2.gz TZNLDEBDHMWUIJ-OYRHEFFESA-N 2 1 396.579 3.643 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000177491479 861193371 /nfs/dbraw/zinc/19/33/71/861193371.db2.gz TZNLDEBDHMWUIJ-OYRHEFFESA-N 2 1 396.579 3.643 20 0 GHADMP Brc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000581430019 841385776 /nfs/dbraw/zinc/38/57/76/841385776.db2.gz ZDBUPXSQUIEITP-GASCZTMLSA-N 2 1 376.298 3.536 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000581446458 841423244 /nfs/dbraw/zinc/42/32/44/841423244.db2.gz XCXDSNWGVAVJTJ-HXUWFJFHSA-N 2 1 385.596 3.907 20 0 GHADMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc(C(F)(F)F)c1 ZINC000623563950 861207485 /nfs/dbraw/zinc/20/74/85/861207485.db2.gz ODWFLJSZDJCHEC-LJQANCHMSA-N 2 1 394.437 3.570 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000056792175 841581741 /nfs/dbraw/zinc/58/17/41/841581741.db2.gz RDXPMAHGDSVQBP-FQEVSTJZSA-N 2 1 390.572 3.568 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000473125454 841954737 /nfs/dbraw/zinc/95/47/37/841954737.db2.gz TTWUFDPMBJNXLC-VWLOTQADSA-N 2 1 391.559 3.850 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000473125453 841954982 /nfs/dbraw/zinc/95/49/82/841954982.db2.gz TTWUFDPMBJNXLC-RUZDIDTESA-N 2 1 391.559 3.850 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000166218320 841992381 /nfs/dbraw/zinc/99/23/81/841992381.db2.gz SKYVRUVJWASIMM-DZFGPLHGSA-N 2 1 381.520 3.947 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000581677193 841993079 /nfs/dbraw/zinc/99/30/79/841993079.db2.gz SYUOVPLVTRPOIO-DHIUTWEWSA-N 2 1 397.607 3.739 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000655689429 861262032 /nfs/dbraw/zinc/26/20/32/861262032.db2.gz DJVMSMGDMVRCHY-NTKDMRAZSA-N 2 1 395.547 3.955 20 0 GHADMP Clc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000663512847 842065983 /nfs/dbraw/zinc/06/59/83/842065983.db2.gz OKGDVEUZLZPKEH-HNNXBMFYSA-N 2 1 394.350 3.506 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175364 842101711 /nfs/dbraw/zinc/10/17/11/842101711.db2.gz LNUXGJCDAPBVGN-GOTSBHOMSA-N 2 1 394.559 3.830 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175364 842101715 /nfs/dbraw/zinc/10/17/15/842101715.db2.gz LNUXGJCDAPBVGN-GOTSBHOMSA-N 2 1 394.559 3.830 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001167828466 842117428 /nfs/dbraw/zinc/11/74/28/842117428.db2.gz YUTJJRCTMZPRSI-VXSCBNMQSA-N 2 1 375.557 3.593 20 0 GHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347906 842319980 /nfs/dbraw/zinc/31/99/80/842319980.db2.gz OIWGCDIJMOTMOS-AETAKHFUSA-N 2 1 390.915 3.669 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000652347275 842324607 /nfs/dbraw/zinc/32/46/07/842324607.db2.gz XVFCMXSWLAWGKL-BMFAXAFESA-N 2 1 393.959 3.502 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000652347275 842324621 /nfs/dbraw/zinc/32/46/21/842324621.db2.gz XVFCMXSWLAWGKL-BMFAXAFESA-N 2 1 393.959 3.502 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164613555 842337192 /nfs/dbraw/zinc/33/71/92/842337192.db2.gz NBCJVUXJABQJHE-AWEZNQCLSA-N 2 1 382.430 3.997 20 0 GHADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1cccc2ccccc21 ZINC000652360703 842368348 /nfs/dbraw/zinc/36/83/48/842368348.db2.gz ODMMFOPAVLVEAJ-WWPVKYPJSA-N 2 1 395.547 3.554 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000652361169 842368996 /nfs/dbraw/zinc/36/89/96/842368996.db2.gz YYJCOEGEDGXGNW-KURKYZTESA-N 2 1 375.900 3.856 20 0 GHADMP COCCC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000278967093 842392710 /nfs/dbraw/zinc/39/27/10/842392710.db2.gz NBUKAKLRCAKNJQ-YJBOKZPZSA-N 2 1 392.341 3.966 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581882863 842414512 /nfs/dbraw/zinc/41/45/12/842414512.db2.gz REUXZJOQVQIQNF-ICSRJNTNSA-N 2 1 381.923 3.510 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581882863 842414516 /nfs/dbraw/zinc/41/45/16/842414516.db2.gz REUXZJOQVQIQNF-ICSRJNTNSA-N 2 1 381.923 3.510 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001167841734 842420380 /nfs/dbraw/zinc/42/03/80/842420380.db2.gz PUXKHWHHYMORPP-GOSISDBHSA-N 2 1 379.976 3.998 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000510475355 842443500 /nfs/dbraw/zinc/44/35/00/842443500.db2.gz CIIYOWVXQWWLIW-SBHAEUEKSA-N 2 1 380.621 3.695 20 0 GHADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1)C[C@@H]1CCCC[C@@H]1O ZINC000481412823 861310015 /nfs/dbraw/zinc/31/00/15/861310015.db2.gz UABYQQNLDRNSIV-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1cccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1)C[C@H]1CCCC[C@@H]1O ZINC000481412823 861310041 /nfs/dbraw/zinc/31/00/41/861310041.db2.gz UABYQQNLDRNSIV-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1)C[C@H]1CCCC[C@@H]1O ZINC000481412823 861310050 /nfs/dbraw/zinc/31/00/50/861310050.db2.gz UABYQQNLDRNSIV-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647198146 842599962 /nfs/dbraw/zinc/59/99/62/842599962.db2.gz HPKSWHARUXQJCZ-NHCUHLMSSA-N 2 1 378.516 3.786 20 0 GHADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647198146 842599971 /nfs/dbraw/zinc/59/99/71/842599971.db2.gz HPKSWHARUXQJCZ-NHCUHLMSSA-N 2 1 378.516 3.786 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000247202784 842657079 /nfs/dbraw/zinc/65/70/79/842657079.db2.gz VDQFYRKUYZTFNH-HLSYRSCKSA-N 2 1 390.881 3.651 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000673667003 861334347 /nfs/dbraw/zinc/33/43/47/861334347.db2.gz MLCQRAJLZNLFOC-MOPGFXCFSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000673667003 861334371 /nfs/dbraw/zinc/33/43/71/861334371.db2.gz MLCQRAJLZNLFOC-MOPGFXCFSA-N 2 1 397.485 3.689 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)COc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248546371 842689182 /nfs/dbraw/zinc/68/91/82/842689182.db2.gz DVGNJSFGJHNDJV-RCZSKKKRSA-N 2 1 382.548 3.822 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)C[C@H](C)O1 ZINC000512177036 842757270 /nfs/dbraw/zinc/75/72/70/842757270.db2.gz CFXGCYZTLOLADY-KDURUIRLSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180579 842793440 /nfs/dbraw/zinc/79/34/40/842793440.db2.gz ONHVCMKSXJHVSU-ROUUACIJSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180579 842793446 /nfs/dbraw/zinc/79/34/46/842793446.db2.gz ONHVCMKSXJHVSU-ROUUACIJSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180579 842793450 /nfs/dbraw/zinc/79/34/50/842793450.db2.gz ONHVCMKSXJHVSU-ROUUACIJSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180579 842793458 /nfs/dbraw/zinc/79/34/58/842793458.db2.gz ONHVCMKSXJHVSU-ROUUACIJSA-N 2 1 396.535 3.892 20 0 GHADMP CN(C)c1ncc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000663218176 842824169 /nfs/dbraw/zinc/82/41/69/842824169.db2.gz QGFRRGYOMPXUSU-JOCHJYFZSA-N 2 1 395.595 3.609 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000652611365 842836531 /nfs/dbraw/zinc/83/65/31/842836531.db2.gz GHYKJLLXOZYTAG-OKZBNKHCSA-N 2 1 378.520 3.805 20 0 GHADMP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510545528 842937189 /nfs/dbraw/zinc/93/71/89/842937189.db2.gz HDZFDCNFLGXGJJ-YRPNKDGESA-N 2 1 392.632 3.695 20 0 GHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510545528 842937198 /nfs/dbraw/zinc/93/71/98/842937198.db2.gz HDZFDCNFLGXGJJ-YRPNKDGESA-N 2 1 392.632 3.695 20 0 GHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510545528 842937209 /nfs/dbraw/zinc/93/72/09/842937209.db2.gz HDZFDCNFLGXGJJ-YRPNKDGESA-N 2 1 392.632 3.695 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1Cl ZINC000430845819 843067676 /nfs/dbraw/zinc/06/76/76/843067676.db2.gz RKLYWMPCBZXYKO-NRFANRHFSA-N 2 1 398.938 3.676 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3oc4ccccc4c3Br)C2)C1 ZINC000662286893 843075097 /nfs/dbraw/zinc/07/50/97/843075097.db2.gz SZFLIKRALKGZKO-CKEIUWERSA-N 2 1 393.325 3.914 20 0 GHADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1cccs1 ZINC000662291529 843083430 /nfs/dbraw/zinc/08/34/30/843083430.db2.gz HQWGLLAEXYYAJF-XLIONFOSSA-N 2 1 377.598 3.663 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296002 843093271 /nfs/dbraw/zinc/09/32/71/843093271.db2.gz JSYOMCLDDIHVNB-QRQLOZEOSA-N 2 1 375.582 3.512 20 0 GHADMP COCCOc1ccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212221 843106713 /nfs/dbraw/zinc/10/67/13/843106713.db2.gz KRLOLCNWUJAQPK-TZIWHRDSSA-N 2 1 390.568 3.807 20 0 GHADMP FC(F)Oc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327237 843142353 /nfs/dbraw/zinc/14/23/53/843142353.db2.gz GZEJUOVKIOXRAE-UHFFFAOYSA-N 2 1 390.478 3.858 20 0 GHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337608 843149546 /nfs/dbraw/zinc/14/95/46/843149546.db2.gz LXAYZVFTECSTHM-HOCLYGCPSA-N 2 1 391.922 3.552 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000662389646 843176257 /nfs/dbraw/zinc/17/62/57/843176257.db2.gz YTXLZZJHDLODSA-FDDCHVKYSA-N 2 1 377.532 3.769 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000182303861 843240792 /nfs/dbraw/zinc/24/07/92/843240792.db2.gz AXAKXRUWUWQEIG-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182303861 843240798 /nfs/dbraw/zinc/24/07/98/843240798.db2.gz AXAKXRUWUWQEIG-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182303861 843240807 /nfs/dbraw/zinc/24/08/07/843240807.db2.gz AXAKXRUWUWQEIG-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343656 843249463 /nfs/dbraw/zinc/24/94/63/843249463.db2.gz AMUXDJPVDZCORH-GOSISDBHSA-N 2 1 389.971 3.656 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662439915 843250418 /nfs/dbraw/zinc/25/04/18/843250418.db2.gz HSYBOGUVLNBMRT-HSZRJFAPSA-N 2 1 377.532 3.592 20 0 GHADMP CCN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662501934 843354430 /nfs/dbraw/zinc/35/44/30/843354430.db2.gz HMZANAYPQDJVKY-HARLFGEKSA-N 2 1 377.532 3.905 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512522 843374545 /nfs/dbraw/zinc/37/45/45/843374545.db2.gz RBFFIRGTKZNLMO-QRWLVFNGSA-N 2 1 387.886 3.505 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NCC1CCCCC1 ZINC000432673078 843403276 /nfs/dbraw/zinc/40/32/76/843403276.db2.gz UVESUHVYTHLKGT-FQEVSTJZSA-N 2 1 389.609 3.779 20 0 GHADMP CCC[N@H+](Cc1cn2cccc(C)c2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000603938161 861421994 /nfs/dbraw/zinc/42/19/94/861421994.db2.gz INOARTZJPFLIAF-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP CCC[N@@H+](Cc1cn2cccc(C)c2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000603938161 861422001 /nfs/dbraw/zinc/42/20/01/861422001.db2.gz INOARTZJPFLIAF-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675177 843513364 /nfs/dbraw/zinc/51/33/64/843513364.db2.gz KDARGATYTBFIAS-QVKFZJNVSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675177 843513375 /nfs/dbraw/zinc/51/33/75/843513375.db2.gz KDARGATYTBFIAS-QVKFZJNVSA-N 2 1 387.474 3.513 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C1CCCCC1 ZINC000662691345 843526542 /nfs/dbraw/zinc/52/65/42/843526542.db2.gz GYJNQYCUEMTYMS-FQEVSTJZSA-N 2 1 397.485 3.609 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000673705876 861430036 /nfs/dbraw/zinc/43/00/36/861430036.db2.gz CXBFILCWXHIUTD-GMAHTHKFSA-N 2 1 398.595 3.587 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089162 843663506 /nfs/dbraw/zinc/66/35/06/843663506.db2.gz LBASWMYGKBDILK-UHFFFAOYSA-N 2 1 399.373 3.638 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000510866611 843673828 /nfs/dbraw/zinc/67/38/28/843673828.db2.gz MJEDAZYGIRTPQK-FQEVSTJZSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@H]1CCC[NH+](CCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000510866611 843673831 /nfs/dbraw/zinc/67/38/31/843673831.db2.gz MJEDAZYGIRTPQK-FQEVSTJZSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@H]1CCC[NH+](CCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000510866611 843673836 /nfs/dbraw/zinc/67/38/36/843673836.db2.gz MJEDAZYGIRTPQK-FQEVSTJZSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000500670363 843802264 /nfs/dbraw/zinc/80/22/64/843802264.db2.gz UNXPQNBBKOKPRR-DDBAPUKQSA-N 2 1 399.501 3.703 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000512847689 843879832 /nfs/dbraw/zinc/87/98/32/843879832.db2.gz YVFMCSWXFSJEEI-INIZCTEOSA-N 2 1 391.357 3.989 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000512847689 843879839 /nfs/dbraw/zinc/87/98/39/843879839.db2.gz YVFMCSWXFSJEEI-INIZCTEOSA-N 2 1 391.357 3.989 20 0 GHADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OCc1c(C)noc1C ZINC000237257946 843923438 /nfs/dbraw/zinc/92/34/38/843923438.db2.gz OAGXDNRTSFHKRX-HNNXBMFYSA-N 2 1 398.507 3.810 20 0 GHADMP COc1cc(C[NH+](C)C[C@H]2CCCCO2)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000432937426 844679238 /nfs/dbraw/zinc/67/92/38/844679238.db2.gz KMRLLWWZFQUCMZ-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP COc1cc(C[NH+](C)C[C@@H]2CCCCO2)cc(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000432937426 844679246 /nfs/dbraw/zinc/67/92/46/844679246.db2.gz KMRLLWWZFQUCMZ-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP COc1cc(C[NH+](C)C[C@@H]2CCCCO2)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000432937426 844679249 /nfs/dbraw/zinc/67/92/49/844679249.db2.gz KMRLLWWZFQUCMZ-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000513204880 845046215 /nfs/dbraw/zinc/04/62/15/845046215.db2.gz WPHJCMZPMFHKRP-BVYCBKJFSA-N 2 1 377.532 3.714 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000513204880 845046217 /nfs/dbraw/zinc/04/62/17/845046217.db2.gz WPHJCMZPMFHKRP-BVYCBKJFSA-N 2 1 377.532 3.714 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000512687306 845055070 /nfs/dbraw/zinc/05/50/70/845055070.db2.gz PRMLOROGPNUCKM-SFTDATJTSA-N 2 1 378.564 3.739 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394173 861562830 /nfs/dbraw/zinc/56/28/30/861562830.db2.gz LGDIUSVTSAEAAQ-UHFFFAOYSA-N 2 1 394.563 3.587 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cc(F)cc(F)c1 ZINC000179390070 861559268 /nfs/dbraw/zinc/55/92/68/861559268.db2.gz WMMZBCDSXOBWTN-UHFFFAOYSA-N 2 1 388.462 3.537 20 0 GHADMP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000513489383 845520805 /nfs/dbraw/zinc/52/08/05/845520805.db2.gz HYQUCJHXAZEVJT-JOCHJYFZSA-N 2 1 390.591 3.664 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000513495404 845529611 /nfs/dbraw/zinc/52/96/11/845529611.db2.gz PLCUCNOVOLJJOL-TZIWHRDSSA-N 2 1 389.547 3.872 20 0 GHADMP CC(C)C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000509931409 845599261 /nfs/dbraw/zinc/59/92/61/845599261.db2.gz RPRBBINUNYVVOD-UYAOXDASSA-N 2 1 399.501 3.534 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000472070100 845691934 /nfs/dbraw/zinc/69/19/34/845691934.db2.gz ZCVBSUNAAPWNGN-IRLDBZIGSA-N 2 1 388.600 3.660 20 0 GHADMP Cc1cc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccc1F ZINC000105429773 845990478 /nfs/dbraw/zinc/99/04/78/845990478.db2.gz LESBLJMRGCOWEW-UHFFFAOYSA-N 2 1 386.511 3.914 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1S(C)(=O)=O ZINC000157531214 845994417 /nfs/dbraw/zinc/99/44/17/845994417.db2.gz JETVNTDPSIKZLV-INIZCTEOSA-N 2 1 394.581 3.546 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000421368769 846180378 /nfs/dbraw/zinc/18/03/78/846180378.db2.gz GJVZKHNOMSTBJA-UHFFFAOYSA-N 2 1 387.465 3.837 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000421368769 846180382 /nfs/dbraw/zinc/18/03/82/846180382.db2.gz GJVZKHNOMSTBJA-UHFFFAOYSA-N 2 1 387.465 3.837 20 0 GHADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513678424 846225304 /nfs/dbraw/zinc/22/53/04/846225304.db2.gz MYSXPXBGJGRTKT-WXFUMESZSA-N 2 1 391.559 3.827 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000664217443 846235405 /nfs/dbraw/zinc/23/54/05/846235405.db2.gz KGWGOBXCMDOPBE-YLJYHZDGSA-N 2 1 394.991 3.676 20 0 GHADMP C[C@H](NCc1ccccc1OCCN1CCOCC1)c1cnn(C2CCCC2)c1 ZINC000502726561 846399894 /nfs/dbraw/zinc/39/98/94/846399894.db2.gz LAMKXGQRGZCWDN-IBGZPJMESA-N 2 1 398.551 3.560 20 0 GHADMP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657354621 846491796 /nfs/dbraw/zinc/49/17/96/846491796.db2.gz UFORQMPSRFQJTP-UHFFFAOYSA-N 2 1 395.938 3.923 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000502838336 846533348 /nfs/dbraw/zinc/53/33/48/846533348.db2.gz DAHBWOLNBJZVRP-RBUKOAKNSA-N 2 1 392.613 3.839 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000502843728 846535585 /nfs/dbraw/zinc/53/55/85/846535585.db2.gz JVCLXPZXQRJORT-YLJYHZDGSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000502843728 846535586 /nfs/dbraw/zinc/53/55/86/846535586.db2.gz JVCLXPZXQRJORT-YLJYHZDGSA-N 2 1 394.991 3.897 20 0 GHADMP C[N@H+](Cc1ccc(Br)cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501017902 846553163 /nfs/dbraw/zinc/55/31/63/846553163.db2.gz CJSRSBQTVIYQHF-UHFFFAOYSA-N 2 1 375.314 3.588 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657388227 846807234 /nfs/dbraw/zinc/80/72/34/846807234.db2.gz AJRBCNBPSDIGBL-UHFFFAOYSA-N 2 1 394.437 3.674 20 0 GHADMP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272378400 847063387 /nfs/dbraw/zinc/06/33/87/847063387.db2.gz HJBUDEWOCZQBFM-TZIWHRDSSA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000420300837 847104720 /nfs/dbraw/zinc/10/47/20/847104720.db2.gz KTNHLTNXPORZEZ-HXUWFJFHSA-N 2 1 379.504 3.957 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000420342568 847120817 /nfs/dbraw/zinc/12/08/17/847120817.db2.gz POXNGJMLUVXLLE-OAHLLOKOSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344579 847121912 /nfs/dbraw/zinc/12/19/12/847121912.db2.gz UEDSKZNFEOCOSM-APWZRJJASA-N 2 1 390.597 3.661 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000420399871 847160516 /nfs/dbraw/zinc/16/05/16/847160516.db2.gz IIKMQIQXWURZTJ-XUWXXGDYSA-N 2 1 384.351 3.574 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000420399871 847160523 /nfs/dbraw/zinc/16/05/23/847160523.db2.gz IIKMQIQXWURZTJ-XUWXXGDYSA-N 2 1 384.351 3.574 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501828456 847219431 /nfs/dbraw/zinc/21/94/31/847219431.db2.gz PJLFVQKFWBKIGF-UNMCSNQZSA-N 2 1 386.584 3.635 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000599839747 861777596 /nfs/dbraw/zinc/77/75/96/861777596.db2.gz CCNGZVZCBGOWHW-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1CC[NH+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675683 847323311 /nfs/dbraw/zinc/32/33/11/847323311.db2.gz CKAJTIXOYUVFDH-YLJYHZDGSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675683 847323320 /nfs/dbraw/zinc/32/33/20/847323320.db2.gz CKAJTIXOYUVFDH-YLJYHZDGSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675683 847323323 /nfs/dbraw/zinc/32/33/23/847323323.db2.gz CKAJTIXOYUVFDH-YLJYHZDGSA-N 2 1 394.991 3.752 20 0 GHADMP CCOc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1Cl ZINC000582496214 847410789 /nfs/dbraw/zinc/41/07/89/847410789.db2.gz ZXXDGDBWKQSCBL-UHFFFAOYSA-N 2 1 393.959 3.874 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(Cl)ccc4cccnc43)CC2)CC1 ZINC000420974397 847601484 /nfs/dbraw/zinc/60/14/84/847601484.db2.gz DNZGYPABDWANBP-UHFFFAOYSA-N 2 1 386.971 3.880 20 0 GHADMP OCC1([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2cccs2)CCC1 ZINC000420979097 847605500 /nfs/dbraw/zinc/60/55/00/847605500.db2.gz URFMXFUBLRTFJA-OAQYLSRUSA-N 2 1 386.561 3.574 20 0 GHADMP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000625393502 861810787 /nfs/dbraw/zinc/81/07/87/861810787.db2.gz JKXIIRSMKLVUDU-NHCUHLMSSA-N 2 1 397.588 3.518 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000664315334 847638862 /nfs/dbraw/zinc/63/88/62/847638862.db2.gz BTBOYZPZAFNJKP-NRFANRHFSA-N 2 1 390.531 3.768 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000664315334 847638865 /nfs/dbraw/zinc/63/88/65/847638865.db2.gz BTBOYZPZAFNJKP-NRFANRHFSA-N 2 1 390.531 3.768 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000503468624 847723550 /nfs/dbraw/zinc/72/35/50/847723550.db2.gz IOTRFVGPBYWQEE-QHAWAJNXSA-N 2 1 378.605 3.547 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1c(F)cccc1Cl ZINC000422796365 847826883 /nfs/dbraw/zinc/82/68/83/847826883.db2.gz JDYHZMGNFLYOKL-XPIZARPCSA-N 2 1 376.903 3.713 20 0 GHADMP COc1ccc([C@H](NCCc2[nH+]ccn2Cc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422815030 847837148 /nfs/dbraw/zinc/83/71/48/847837148.db2.gz ANSORADCFCKAQJ-VWNXMTODSA-N 2 1 390.531 3.565 20 0 GHADMP N[C@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000422821063 847839474 /nfs/dbraw/zinc/83/94/74/847839474.db2.gz UGZOWKGQIOPZEH-ZEQRLZLVSA-N 2 1 379.548 3.792 20 0 GHADMP [NH3+][C@H]1C[C@H](NCCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000422821063 847839486 /nfs/dbraw/zinc/83/94/86/847839486.db2.gz UGZOWKGQIOPZEH-ZEQRLZLVSA-N 2 1 379.548 3.792 20 0 GHADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc(Br)c1OC ZINC000422937443 847898504 /nfs/dbraw/zinc/89/85/04/847898504.db2.gz CKRKOKVAQOGJPD-SUMWQHHRSA-N 2 1 393.325 3.514 20 0 GHADMP CCOC(=O)C1([C@H](C)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]CC1 ZINC000422921385 847903138 /nfs/dbraw/zinc/90/31/38/847903138.db2.gz OAZPZFRKYHNNIA-OALUTQOASA-N 2 1 387.568 3.794 20 0 GHADMP COc1ccc([C@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423080378 847968992 /nfs/dbraw/zinc/96/89/92/847968992.db2.gz AFBFPGWISWGHLH-ZEQRLZLVSA-N 2 1 379.548 3.995 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000582782608 848365708 /nfs/dbraw/zinc/36/57/08/848365708.db2.gz FUDNIHHCHGHVOT-FQEVSTJZSA-N 2 1 386.515 3.529 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000582782608 848365714 /nfs/dbraw/zinc/36/57/14/848365714.db2.gz FUDNIHHCHGHVOT-FQEVSTJZSA-N 2 1 386.515 3.529 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000472263641 848416800 /nfs/dbraw/zinc/41/68/00/848416800.db2.gz NWGIIIKHSATWCC-SFHVURJKSA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000472263641 848416804 /nfs/dbraw/zinc/41/68/04/848416804.db2.gz NWGIIIKHSATWCC-SFHVURJKSA-N 2 1 389.565 3.751 20 0 GHADMP c1ccc(C[NH+]2CCC(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000192358154 861928787 /nfs/dbraw/zinc/92/87/87/861928787.db2.gz JSMFETRWZNNSJW-RUZDIDTESA-N 2 1 393.575 3.532 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000582903297 848674459 /nfs/dbraw/zinc/67/44/59/848674459.db2.gz ZNNWRQKWHKFUBY-SVMVAKDDSA-N 2 1 395.547 3.961 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000582903297 848674465 /nfs/dbraw/zinc/67/44/65/848674465.db2.gz ZNNWRQKWHKFUBY-SVMVAKDDSA-N 2 1 395.547 3.961 20 0 GHADMP C[N@@H+](CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)Cc1ccccc1 ZINC000604179817 861939276 /nfs/dbraw/zinc/93/92/76/861939276.db2.gz QIONWRLRFWFNEY-QHCPKHFHSA-N 2 1 394.563 3.645 20 0 GHADMP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604209460 861995973 /nfs/dbraw/zinc/99/59/73/861995973.db2.gz UJWSEKYLVKWUDS-QFIPXVFZSA-N 2 1 394.563 3.540 20 0 GHADMP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604209460 861995981 /nfs/dbraw/zinc/99/59/81/861995981.db2.gz UJWSEKYLVKWUDS-QFIPXVFZSA-N 2 1 394.563 3.540 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000458418850 849269871 /nfs/dbraw/zinc/26/98/71/849269871.db2.gz GNSNIOFPXJWNIP-NRFANRHFSA-N 2 1 398.551 3.536 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000458418850 849269881 /nfs/dbraw/zinc/26/98/81/849269881.db2.gz GNSNIOFPXJWNIP-NRFANRHFSA-N 2 1 398.551 3.536 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000458418850 849269888 /nfs/dbraw/zinc/26/98/88/849269888.db2.gz GNSNIOFPXJWNIP-NRFANRHFSA-N 2 1 398.551 3.536 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000458418850 849269895 /nfs/dbraw/zinc/26/98/95/849269895.db2.gz GNSNIOFPXJWNIP-NRFANRHFSA-N 2 1 398.551 3.536 20 0 GHADMP CN(C)C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423104782 849755123 /nfs/dbraw/zinc/75/51/23/849755123.db2.gz MRCZMQMJRIRVNA-ONTIZHBOSA-N 2 1 385.939 3.788 20 0 GHADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000414729939 849841788 /nfs/dbraw/zinc/84/17/88/849841788.db2.gz GEFMYKRBHVWRKX-NEPJUHHUSA-N 2 1 377.838 3.617 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000514437805 849854536 /nfs/dbraw/zinc/85/45/36/849854536.db2.gz GBSCDAHTTYJZQO-UXHICEINSA-N 2 1 398.576 3.583 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000514437805 849854539 /nfs/dbraw/zinc/85/45/39/849854539.db2.gz GBSCDAHTTYJZQO-UXHICEINSA-N 2 1 398.576 3.583 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000080338982 849871515 /nfs/dbraw/zinc/87/15/15/849871515.db2.gz PUCPPWDTDGYBHF-OFNKIYASSA-N 2 1 379.548 3.666 20 0 GHADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000536020117 849884085 /nfs/dbraw/zinc/88/40/85/849884085.db2.gz LUXHTCYQSCJFRI-OALUTQOASA-N 2 1 383.536 3.971 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccnc2)CC1 ZINC000899878461 862073889 /nfs/dbraw/zinc/07/38/89/862073889.db2.gz RUHIJIWTPINABM-UHFFFAOYSA-N 2 1 388.393 3.851 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423834967 850069058 /nfs/dbraw/zinc/06/90/58/850069058.db2.gz VACYKOZMHOHQNB-WVFSVQOHSA-N 2 1 387.474 3.938 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423834967 850069071 /nfs/dbraw/zinc/06/90/71/850069071.db2.gz VACYKOZMHOHQNB-WVFSVQOHSA-N 2 1 387.474 3.938 20 0 GHADMP CCC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000435123080 850102284 /nfs/dbraw/zinc/10/22/84/850102284.db2.gz DZOFYFKIHOIKBB-UHFFFAOYSA-N 2 1 394.523 3.958 20 0 GHADMP CCC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000435123080 850102291 /nfs/dbraw/zinc/10/22/91/850102291.db2.gz DZOFYFKIHOIKBB-UHFFFAOYSA-N 2 1 394.523 3.958 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000514725760 850217902 /nfs/dbraw/zinc/21/79/02/850217902.db2.gz DEPTUOSUILBJBB-HXUWFJFHSA-N 2 1 390.531 3.778 20 0 GHADMP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC[NH2+]CC2 ZINC000424285544 850332417 /nfs/dbraw/zinc/33/24/17/850332417.db2.gz FSVZDTWJRCTBJT-GFCCVEGCSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC[NH2+]CC2 ZINC000424285544 850332427 /nfs/dbraw/zinc/33/24/27/850332427.db2.gz FSVZDTWJRCTBJT-GFCCVEGCSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424300583 850341741 /nfs/dbraw/zinc/34/17/41/850341741.db2.gz WUTLBUOJWLZISM-HXUWFJFHSA-N 2 1 377.532 3.684 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)CCN1C ZINC000424285422 850354274 /nfs/dbraw/zinc/35/42/74/850354274.db2.gz DXOVVAZHKUQUQI-IINYFYTJSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)CC[N@@H+]1C ZINC000424285422 850354291 /nfs/dbraw/zinc/35/42/91/850354291.db2.gz DXOVVAZHKUQUQI-IINYFYTJSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)CC[N@H+]1C ZINC000424285422 850354301 /nfs/dbraw/zinc/35/43/01/850354301.db2.gz DXOVVAZHKUQUQI-IINYFYTJSA-N 2 1 378.685 3.517 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(Cl)c1 ZINC000424354648 850383796 /nfs/dbraw/zinc/38/37/96/850383796.db2.gz SLJAAZXCHQLRKM-HNNXBMFYSA-N 2 1 377.916 3.925 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC[NH2+]CC2 ZINC000424379752 850418026 /nfs/dbraw/zinc/41/80/26/850418026.db2.gz OYEIUFMSNSXKJE-CQSZACIVSA-N 2 1 389.341 3.803 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000487109794 850463341 /nfs/dbraw/zinc/46/33/41/850463341.db2.gz PFJCYKGGAAEVHS-HSZRJFAPSA-N 2 1 391.559 3.577 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1F ZINC000504928869 850465844 /nfs/dbraw/zinc/46/58/44/850465844.db2.gz DZVPBUWFPGDTAX-AVRDEDQJSA-N 2 1 385.527 3.864 20 0 GHADMP CC(C)CC(C)(C)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000435533825 850620763 /nfs/dbraw/zinc/62/07/63/850620763.db2.gz XLNAZUDFHOUMLQ-UHFFFAOYSA-N 2 1 394.648 3.896 20 0 GHADMP CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617585 850704221 /nfs/dbraw/zinc/70/42/21/850704221.db2.gz WJAFEZULGOVJDO-WIYYLYMNSA-N 2 1 389.540 3.557 20 0 GHADMP CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617585 850704222 /nfs/dbraw/zinc/70/42/22/850704222.db2.gz WJAFEZULGOVJDO-WIYYLYMNSA-N 2 1 389.540 3.557 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C/C=C\c3ccncc3)cc2)C[C@H]1C ZINC000487547590 850715169 /nfs/dbraw/zinc/71/51/69/850715169.db2.gz HYTWOVKKSDIPHT-OGHZDWAZSA-N 2 1 379.548 3.894 20 0 GHADMP O=C(CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000435624492 850720148 /nfs/dbraw/zinc/72/01/48/850720148.db2.gz FQKXFSLEWXVDEB-HXUWFJFHSA-N 2 1 386.927 3.708 20 0 GHADMP O=C(CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000435624492 850720151 /nfs/dbraw/zinc/72/01/51/850720151.db2.gz FQKXFSLEWXVDEB-HXUWFJFHSA-N 2 1 386.927 3.708 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513820052 850913044 /nfs/dbraw/zinc/91/30/44/850913044.db2.gz IQVYDOSCKCDCFM-NRFANRHFSA-N 2 1 399.579 3.745 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414839402 850929927 /nfs/dbraw/zinc/92/99/27/850929927.db2.gz XKGBJACWDJUQFZ-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000513847616 850946209 /nfs/dbraw/zinc/94/62/09/850946209.db2.gz PIXNKVOLGKNVRP-HXUWFJFHSA-N 2 1 398.551 3.626 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000171389462 862189341 /nfs/dbraw/zinc/18/93/41/862189341.db2.gz AJFLRMOZHPOJHL-UHFFFAOYSA-N 2 1 383.508 3.748 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC1CCC2(CC2)CC1 ZINC000434337397 851012347 /nfs/dbraw/zinc/01/23/47/851012347.db2.gz WWMGYXIRXTXPDK-UHFFFAOYSA-N 2 1 390.616 3.547 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000513913052 851016076 /nfs/dbraw/zinc/01/60/76/851016076.db2.gz KZHWDACAOBWMQQ-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000515460909 851050169 /nfs/dbraw/zinc/05/01/69/851050169.db2.gz UVTOCLPJQOWDNI-UCNVEGJOSA-N 2 1 395.551 3.805 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000514104562 851241544 /nfs/dbraw/zinc/24/15/44/851241544.db2.gz KTMIQUAOLXFYIW-ZJZGAYNASA-N 2 1 386.580 3.853 20 0 GHADMP C[NH+](C)Cc1ccc(CSCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)o1 ZINC001167960467 851270678 /nfs/dbraw/zinc/27/06/78/851270678.db2.gz ZAMIVGLMDIDHJS-YQQQUEKLSA-N 3 1 377.598 3.569 20 0 GHADMP CN(C)Cc1ccc(CSCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)o1 ZINC001167960467 851270683 /nfs/dbraw/zinc/27/06/83/851270683.db2.gz ZAMIVGLMDIDHJS-YQQQUEKLSA-N 2 1 377.598 3.569 20 0 GHADMP CN(C)Cc1ccc(CSCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)o1 ZINC001167960467 851270689 /nfs/dbraw/zinc/27/06/89/851270689.db2.gz ZAMIVGLMDIDHJS-YQQQUEKLSA-N 2 1 377.598 3.569 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000514138737 851304157 /nfs/dbraw/zinc/30/41/57/851304157.db2.gz SILVFYBZAXHDGO-QGZVFWFLSA-N 2 1 385.939 3.822 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000514166435 851321976 /nfs/dbraw/zinc/32/19/76/851321976.db2.gz CRNAIBPHQDYBPJ-NRSPTQNISA-N 2 1 396.535 3.551 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000514166433 851322233 /nfs/dbraw/zinc/32/22/33/851322233.db2.gz CRNAIBPHQDYBPJ-HLAWJBBLSA-N 2 1 396.535 3.551 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436230667 851344245 /nfs/dbraw/zinc/34/42/45/851344245.db2.gz XCYJDINKYSSZOV-UHFFFAOYSA-N 2 1 377.882 3.722 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000488284706 851350561 /nfs/dbraw/zinc/35/05/61/851350561.db2.gz XXPDLITVOHRNKP-UHFFFAOYSA-N 2 1 397.317 3.646 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000488532027 851588252 /nfs/dbraw/zinc/58/82/52/851588252.db2.gz NCIOGQUPCWLJFZ-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC000894554390 851700622 /nfs/dbraw/zinc/70/06/22/851700622.db2.gz AUUGXIADYLHRFH-NJDAHSKKSA-N 2 1 376.516 3.512 20 0 GHADMP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473738929 851806409 /nfs/dbraw/zinc/80/64/09/851806409.db2.gz MMQDOSCGMAMJFV-QKNQBKEWSA-N 2 1 388.600 3.830 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000180733687 862304742 /nfs/dbraw/zinc/30/47/42/862304742.db2.gz QSNYRAXSLHJGEZ-SJORKVTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000180733687 862304758 /nfs/dbraw/zinc/30/47/58/862304758.db2.gz QSNYRAXSLHJGEZ-SJORKVTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCC(F)(F)F ZINC000180733687 862304764 /nfs/dbraw/zinc/30/47/64/862304764.db2.gz QSNYRAXSLHJGEZ-SJORKVTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000180733687 862304782 /nfs/dbraw/zinc/30/47/82/862304782.db2.gz QSNYRAXSLHJGEZ-SJORKVTESA-N 2 1 386.458 3.943 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000438071708 851986866 /nfs/dbraw/zinc/98/68/66/851986866.db2.gz HHTVAYQGXXHZPI-YADHBBJMSA-N 2 1 394.515 3.769 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000438071708 851986874 /nfs/dbraw/zinc/98/68/74/851986874.db2.gz HHTVAYQGXXHZPI-YADHBBJMSA-N 2 1 394.515 3.769 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC[C@](C)(c4ccccc4)C3)cc2)CC1 ZINC000438087716 852009301 /nfs/dbraw/zinc/00/93/01/852009301.db2.gz MOEJTVXPECYSIC-ZCYQVOJMSA-N 2 1 391.559 3.674 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3nc(-c4ccn5c[nH+]cc5c4)no3)cc2)C[C@H](C)O1 ZINC000570359753 852049186 /nfs/dbraw/zinc/04/91/86/852049186.db2.gz BEZMALVKVKTWJI-IYBDPMFKSA-N 2 1 389.459 3.661 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438132142 852054701 /nfs/dbraw/zinc/05/47/01/852054701.db2.gz YZGQXHAROWOQRH-NOZRDPDXSA-N 2 1 397.607 3.763 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2OC(F)(F)F)c2cccs2)CC1 ZINC000517524743 852060314 /nfs/dbraw/zinc/06/03/14/852060314.db2.gz HWRJNLMYKOQGRZ-INIZCTEOSA-N 2 1 399.482 3.725 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000516162603 852204732 /nfs/dbraw/zinc/20/47/32/852204732.db2.gz QDCYNBMBONADOA-STZQEDGTSA-N 2 1 386.584 3.632 20 0 GHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC001270117405 852213164 /nfs/dbraw/zinc/21/31/64/852213164.db2.gz PZBGJVYAGAOIMI-KRXYWNSISA-N 2 1 375.944 3.608 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+]1C ZINC000489386363 852269877 /nfs/dbraw/zinc/26/98/77/852269877.db2.gz KEDIZOAINGFQCN-QHCPKHFHSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000489386363 852269884 /nfs/dbraw/zinc/26/98/84/852269884.db2.gz KEDIZOAINGFQCN-QHCPKHFHSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000489386363 852269894 /nfs/dbraw/zinc/26/98/94/852269894.db2.gz KEDIZOAINGFQCN-QHCPKHFHSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)Oc1ccc(Cl)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517735217 852322675 /nfs/dbraw/zinc/32/26/75/852322675.db2.gz BQTAPTOCRIDDEQ-UHFFFAOYSA-N 2 1 388.899 3.526 20 0 GHADMP CCSCc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000438375754 852339015 /nfs/dbraw/zinc/33/90/15/852339015.db2.gz RGNCNWVAUAMOJQ-HXUWFJFHSA-N 2 1 392.613 3.820 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506946798 852392767 /nfs/dbraw/zinc/39/27/67/852392767.db2.gz BWVBXQYWBSPCIM-PPGORRQASA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506946798 852392774 /nfs/dbraw/zinc/39/27/74/852392774.db2.gz BWVBXQYWBSPCIM-PPGORRQASA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506946798 852392780 /nfs/dbraw/zinc/39/27/80/852392780.db2.gz BWVBXQYWBSPCIM-PPGORRQASA-N 2 1 392.632 3.649 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)c1ccccc1 ZINC000489903885 852636274 /nfs/dbraw/zinc/63/62/74/852636274.db2.gz HSUCNMKHCHHNTL-WIYYLYMNSA-N 2 1 385.577 3.769 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000489903885 852636277 /nfs/dbraw/zinc/63/62/77/852636277.db2.gz HSUCNMKHCHHNTL-WIYYLYMNSA-N 2 1 385.577 3.769 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000489903885 852636279 /nfs/dbraw/zinc/63/62/79/852636279.db2.gz HSUCNMKHCHHNTL-WIYYLYMNSA-N 2 1 385.577 3.769 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167984758 852676771 /nfs/dbraw/zinc/67/67/71/852676771.db2.gz QWYCGCIQCKBRAC-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167984758 852676775 /nfs/dbraw/zinc/67/67/75/852676775.db2.gz QWYCGCIQCKBRAC-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167984758 852676781 /nfs/dbraw/zinc/67/67/81/852676781.db2.gz QWYCGCIQCKBRAC-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000490119971 852778388 /nfs/dbraw/zinc/77/83/88/852778388.db2.gz XXNFEVMFYBVMHW-QFIPXVFZSA-N 2 1 383.511 3.599 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000437147721 852796918 /nfs/dbraw/zinc/79/69/18/852796918.db2.gz OBUISPLUTZDRPO-BHDDXSALSA-N 2 1 380.536 3.533 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000437147721 852796922 /nfs/dbraw/zinc/79/69/22/852796922.db2.gz OBUISPLUTZDRPO-BHDDXSALSA-N 2 1 380.536 3.533 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000490173843 852806266 /nfs/dbraw/zinc/80/62/66/852806266.db2.gz YHWRPPPMHVMGHY-QFIPXVFZSA-N 2 1 397.544 3.591 20 0 GHADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000516660958 852831910 /nfs/dbraw/zinc/83/19/10/852831910.db2.gz INPMFDGLSZSKTB-HXUWFJFHSA-N 2 1 392.547 3.653 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985499 852862613 /nfs/dbraw/zinc/86/26/13/852862613.db2.gz WXWPQHNNWPBZPS-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985499 852862621 /nfs/dbraw/zinc/86/26/21/852862621.db2.gz WXWPQHNNWPBZPS-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985499 852862628 /nfs/dbraw/zinc/86/26/28/852862628.db2.gz WXWPQHNNWPBZPS-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985499 852862634 /nfs/dbraw/zinc/86/26/34/852862634.db2.gz WXWPQHNNWPBZPS-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP Cc1ccccc1-c1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000516686501 852887015 /nfs/dbraw/zinc/88/70/15/852887015.db2.gz ZFWBTPQIBUVTBH-UHFFFAOYSA-N 2 1 391.559 3.648 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000427301117 852953915 /nfs/dbraw/zinc/95/39/15/852953915.db2.gz HZRCAVFVVOSREQ-WIYYLYMNSA-N 2 1 397.588 3.744 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000427301117 852953920 /nfs/dbraw/zinc/95/39/20/852953920.db2.gz HZRCAVFVVOSREQ-WIYYLYMNSA-N 2 1 397.588 3.744 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969290 862412394 /nfs/dbraw/zinc/41/23/94/862412394.db2.gz LVWOBYZNAMTTLW-KXBFYZLASA-N 2 1 375.463 3.827 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)cc2)C1 ZINC000438899588 853077858 /nfs/dbraw/zinc/07/78/58/853077858.db2.gz ZREDJEAXLGZIAA-JTSKRJEESA-N 2 1 390.531 3.908 20 0 GHADMP CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506054906 853178257 /nfs/dbraw/zinc/17/82/57/853178257.db2.gz FFPYVRQTMITSIT-UHFFFAOYSA-N 2 1 395.547 3.968 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1Cl ZINC000517057806 853294922 /nfs/dbraw/zinc/29/49/22/853294922.db2.gz UFURTJFDXUECDP-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1Cl ZINC000517057806 853294935 /nfs/dbraw/zinc/29/49/35/853294935.db2.gz UFURTJFDXUECDP-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000490892883 853336769 /nfs/dbraw/zinc/33/67/69/853336769.db2.gz ZJGNWUTVKRJVBP-GOSISDBHSA-N 2 1 380.602 3.552 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2C)[C@H](C)C1 ZINC000439144081 853340535 /nfs/dbraw/zinc/34/05/35/853340535.db2.gz WCJYHRBSAOCXHC-VQIMIIECSA-N 2 1 383.374 3.984 20 0 GHADMP O=C(NCc1ccc(-n2ccnc2)c(F)c1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437659831 853388558 /nfs/dbraw/zinc/38/85/58/853388558.db2.gz XYGOTACFCOJXQD-LJQANCHMSA-N 2 1 399.514 3.608 20 0 GHADMP CC1(C)C[N@@H+](CCOC2CCOCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000625581580 862459243 /nfs/dbraw/zinc/45/92/43/862459243.db2.gz RLWLTTRQYHHEEK-HSZRJFAPSA-N 2 1 386.580 3.805 20 0 GHADMP Cc1nc2ccc(C[N@H+](C)C[C@]3(O)CCN(Cc4ccccc4)C3)cc2s1 ZINC000426355685 853558038 /nfs/dbraw/zinc/55/80/38/853558038.db2.gz CGYALKTWUYMBCK-JOCHJYFZSA-N 2 1 381.545 3.674 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000518628827 853588382 /nfs/dbraw/zinc/58/83/82/853588382.db2.gz OIDMQXQPAIVRBO-KDURUIRLSA-N 2 1 390.572 3.792 20 0 GHADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000261993881 853718570 /nfs/dbraw/zinc/71/85/70/853718570.db2.gz NEDSTMPHMGRSMA-INIZCTEOSA-N 2 1 378.586 3.519 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000520067727 853804514 /nfs/dbraw/zinc/80/45/14/853804514.db2.gz DMQDIDLLGLZFGR-JOCHJYFZSA-N 2 1 388.600 3.751 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccccc3C(F)(F)F)CC2)CC1 ZINC000441096687 853893981 /nfs/dbraw/zinc/89/39/81/853893981.db2.gz WJDROYPNHYSKND-UHFFFAOYSA-N 2 1 399.501 3.575 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000520165868 853918824 /nfs/dbraw/zinc/91/88/24/853918824.db2.gz UAROKSALCXFORE-NRFANRHFSA-N 2 1 389.559 3.618 20 0 GHADMP O=C(C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000441185270 853989738 /nfs/dbraw/zinc/98/97/38/853989738.db2.gz ZGWCVJCKKZSGRT-GMAFFVFYSA-N 2 1 381.564 3.687 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000441186278 853990557 /nfs/dbraw/zinc/99/05/57/853990557.db2.gz WKOQAQMKVJYUAS-UHFFFAOYSA-N 2 1 386.321 3.845 20 0 GHADMP CC(C)C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000441405713 854201004 /nfs/dbraw/zinc/20/10/04/854201004.db2.gz PWENRCHXWYEZFA-PMVMPFDFSA-N 2 1 383.580 3.839 20 0 GHADMP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473952923 854398534 /nfs/dbraw/zinc/39/85/34/854398534.db2.gz SIOVSRGRNWBDEY-ONTIZHBOSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995098 854430705 /nfs/dbraw/zinc/43/07/05/854430705.db2.gz VYKUKWQSSYGLPR-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995098 854430710 /nfs/dbraw/zinc/43/07/10/854430710.db2.gz VYKUKWQSSYGLPR-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995098 854430716 /nfs/dbraw/zinc/43/07/16/854430716.db2.gz VYKUKWQSSYGLPR-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(N)c1noc(CN2CCC(COc3ccccc3C(F)(F)F)CC2)n1 ZINC000572364708 854488573 /nfs/dbraw/zinc/48/85/73/854488573.db2.gz OOTZGZXNEORACK-UHFFFAOYSA-N 2 1 398.429 3.573 20 0 GHADMP CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996000 854633534 /nfs/dbraw/zinc/63/35/34/854633534.db2.gz UZQFIQJDNWQAGJ-OLFSXFQMSA-N 2 1 389.584 3.912 20 0 GHADMP CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996000 854633539 /nfs/dbraw/zinc/63/35/39/854633539.db2.gz UZQFIQJDNWQAGJ-OLFSXFQMSA-N 2 1 389.584 3.912 20 0 GHADMP CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996000 854633545 /nfs/dbraw/zinc/63/35/45/854633545.db2.gz UZQFIQJDNWQAGJ-OLFSXFQMSA-N 2 1 389.584 3.912 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000073550924 854736151 /nfs/dbraw/zinc/73/61/51/854736151.db2.gz DCVDNWKJTVURKM-FQEVSTJZSA-N 2 1 386.584 3.546 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000589206306 854749386 /nfs/dbraw/zinc/74/93/86/854749386.db2.gz ZRKQMHPEVIGGNH-APWZRJJASA-N 2 1 380.964 3.506 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000765777797 854787402 /nfs/dbraw/zinc/78/74/02/854787402.db2.gz ZRTVZLZDZUYHJP-RDPSFJRHSA-N 2 1 381.564 3.517 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)[NH+]2CCCCC2)cc1 ZINC000441438800 854804638 /nfs/dbraw/zinc/80/46/38/854804638.db2.gz NBUFHCKPPZAUBY-PTUXOGIPSA-N 2 1 399.579 3.603 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441448936 854903673 /nfs/dbraw/zinc/90/36/73/854903673.db2.gz MDAJFZPJZJAESY-RDJZCZTQSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441448936 854903686 /nfs/dbraw/zinc/90/36/86/854903686.db2.gz MDAJFZPJZJAESY-RDJZCZTQSA-N 2 1 387.351 3.541 20 0 GHADMP CC1(C)OCc2cc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2O1 ZINC000186377074 854968526 /nfs/dbraw/zinc/96/85/26/854968526.db2.gz FBFAVZQQGYSUSS-NRFANRHFSA-N 2 1 380.532 3.986 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1(C)C ZINC000623643445 855031403 /nfs/dbraw/zinc/03/14/03/855031403.db2.gz YLVNITCHHQTWDF-SIKLNZKXSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]([C@H]4CCCC4(C)C)C3)CC2)CC1 ZINC000655160295 855140489 /nfs/dbraw/zinc/14/04/89/855140489.db2.gz OQKZLGLNTRJWGC-RBBKRZOGSA-N 2 1 389.628 3.858 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168394732 855162984 /nfs/dbraw/zinc/16/29/84/855162984.db2.gz FJJQRLBQWAOXQP-UHFFFAOYSA-N 2 1 399.579 3.544 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000589993289 855217782 /nfs/dbraw/zinc/21/77/82/855217782.db2.gz XPCGKCCIKFIZCU-HSZRJFAPSA-N 2 1 379.548 3.982 20 0 GHADMP O=C1c2ccccc2[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N1Cc1ccccc1 ZINC000624106763 862658719 /nfs/dbraw/zinc/65/87/19/862658719.db2.gz NSXKEXYBMIJEHT-DEOSSOPVSA-N 2 1 389.543 3.848 20 0 GHADMP CNC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000482064673 862666749 /nfs/dbraw/zinc/66/67/49/862666749.db2.gz BSXMPRYHZLDWEY-BJESRGMDSA-N 2 1 377.532 3.649 20 0 GHADMP CNC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000482064673 862666754 /nfs/dbraw/zinc/66/67/54/862666754.db2.gz BSXMPRYHZLDWEY-BJESRGMDSA-N 2 1 377.532 3.649 20 0 GHADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647986625 855418088 /nfs/dbraw/zinc/41/80/88/855418088.db2.gz URVFQBCYOGQLPK-MZKRTTBSSA-N 2 1 393.531 3.697 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046098 855702139 /nfs/dbraw/zinc/70/21/39/855702139.db2.gz OYXAXNPXQMNUBJ-NHYWBVRUSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046098 855702147 /nfs/dbraw/zinc/70/21/47/855702147.db2.gz OYXAXNPXQMNUBJ-NHYWBVRUSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046098 855702153 /nfs/dbraw/zinc/70/21/53/855702153.db2.gz OYXAXNPXQMNUBJ-NHYWBVRUSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046098 855702158 /nfs/dbraw/zinc/70/21/58/855702158.db2.gz OYXAXNPXQMNUBJ-NHYWBVRUSA-N 2 1 390.163 3.984 20 0 GHADMP C[N@H+](CCN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1)Cc1ccccc1 ZINC000591082798 855751366 /nfs/dbraw/zinc/75/13/66/855751366.db2.gz MFFMFAFOJXQGFJ-UHFFFAOYSA-N 2 1 392.522 3.624 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2cc(F)cc3cccnc32)CC1)Cc1ccccc1 ZINC000591082798 855751374 /nfs/dbraw/zinc/75/13/74/855751374.db2.gz MFFMFAFOJXQGFJ-UHFFFAOYSA-N 2 1 392.522 3.624 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCCCC1 ZINC000591095322 855758836 /nfs/dbraw/zinc/75/88/36/855758836.db2.gz HHKWGEGXYJHSEZ-HXUWFJFHSA-N 2 1 387.568 3.546 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000057887184 855768274 /nfs/dbraw/zinc/76/82/74/855768274.db2.gz UJRNVBMLNMGYGX-IBGZPJMESA-N 2 1 394.563 3.784 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000482132356 862719489 /nfs/dbraw/zinc/71/94/89/862719489.db2.gz BAKPACFRRKIMLO-VCOUNFBDSA-N 2 1 398.595 3.705 20 0 GHADMP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000542786042 855793337 /nfs/dbraw/zinc/79/33/37/855793337.db2.gz XRXADRIUTPGTLE-UGKGYDQZSA-N 2 1 380.536 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000520612934 855794695 /nfs/dbraw/zinc/79/46/95/855794695.db2.gz IUONLNMTQJZWGS-NFBKMPQASA-N 2 1 398.595 3.831 20 0 GHADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000669401871 855854782 /nfs/dbraw/zinc/85/47/82/855854782.db2.gz XYYXSSQTCVAMJU-GCJKJVERSA-N 2 1 386.584 3.720 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573321590 856076853 /nfs/dbraw/zinc/07/68/53/856076853.db2.gz RZCROQLULJUWIG-RFVSGWPVSA-N 2 1 395.950 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573321590 856076857 /nfs/dbraw/zinc/07/68/57/856076857.db2.gz RZCROQLULJUWIG-RFVSGWPVSA-N 2 1 395.950 3.756 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567889789 862760228 /nfs/dbraw/zinc/76/02/28/862760228.db2.gz USMLNYHOGYTKKH-SESVDKBCSA-N 2 1 393.531 3.524 20 0 GHADMP C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000729525007 856234240 /nfs/dbraw/zinc/23/42/40/856234240.db2.gz COMUKSZKYUVEDB-PMACEKPBSA-N 2 1 387.568 3.544 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@@H+]3CC3CCCCC3)CC2)[nH+]c1 ZINC000171751528 856251846 /nfs/dbraw/zinc/25/18/46/856251846.db2.gz YSIZDILRMOUPHF-JOCHJYFZSA-N 2 1 398.595 3.767 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@H+]3CC3CCCCC3)CC2)[nH+]c1 ZINC000171751528 856251857 /nfs/dbraw/zinc/25/18/57/856251857.db2.gz YSIZDILRMOUPHF-JOCHJYFZSA-N 2 1 398.595 3.767 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008777 856351283 /nfs/dbraw/zinc/35/12/83/856351283.db2.gz FZEYMXYQPQDYOE-CSPBNMCHSA-N 2 1 399.579 3.883 20 0 GHADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000573727386 856455224 /nfs/dbraw/zinc/45/52/24/856455224.db2.gz QYDXQONLAHSTAC-AQNXPRMDSA-N 2 1 392.559 3.737 20 0 GHADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000573727386 856455234 /nfs/dbraw/zinc/45/52/34/856455234.db2.gz QYDXQONLAHSTAC-AQNXPRMDSA-N 2 1 392.559 3.737 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592492219 856899145 /nfs/dbraw/zinc/89/91/45/856899145.db2.gz WWVLMBWTBVKBKA-MOPGFXCFSA-N 2 1 399.560 3.808 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465927245 857027775 /nfs/dbraw/zinc/02/77/75/857027775.db2.gz QNVOFIVRICNNGY-WIYYLYMNSA-N 2 1 386.584 3.680 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000485790092 857096396 /nfs/dbraw/zinc/09/63/96/857096396.db2.gz RSJXQKGBYQVPJU-LJQANCHMSA-N 2 1 379.548 3.544 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000076581385 857151251 /nfs/dbraw/zinc/15/12/51/857151251.db2.gz FIZLHIPIQVQYJW-HSZRJFAPSA-N 2 1 377.532 3.518 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccsc2)CC1 ZINC000485887266 857192953 /nfs/dbraw/zinc/19/29/53/857192953.db2.gz GLPMSLDRYUJNGB-AVRDEDQJSA-N 2 1 397.588 3.707 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccsc2)CC1 ZINC000485887266 857192955 /nfs/dbraw/zinc/19/29/55/857192955.db2.gz GLPMSLDRYUJNGB-AVRDEDQJSA-N 2 1 397.588 3.707 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000168517162 862882968 /nfs/dbraw/zinc/88/29/68/862882968.db2.gz UAONDLSEMRSYSU-TYCQWZJGSA-N 2 1 385.939 3.851 20 0 GHADMP CCCn1ccnc1CCC[N@@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000429248014 857215873 /nfs/dbraw/zinc/21/58/73/857215873.db2.gz LIJXVNUPGHYWSK-SFHVURJKSA-N 2 1 392.906 3.756 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000429248014 857215883 /nfs/dbraw/zinc/21/58/83/857215883.db2.gz LIJXVNUPGHYWSK-SFHVURJKSA-N 2 1 392.906 3.756 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)c2ccccc2)CC1 ZINC000057792150 857234668 /nfs/dbraw/zinc/23/46/68/857234668.db2.gz WMYRESLCYQCXAA-LEWJYISDSA-N 2 1 398.551 3.655 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000574143306 857258697 /nfs/dbraw/zinc/25/86/97/857258697.db2.gz JRHHVBQHBJXFNZ-MOPGFXCFSA-N 2 1 375.900 3.713 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3cc(Br)ccc32)C[C@H](C)O1 ZINC000675783386 857611478 /nfs/dbraw/zinc/61/14/78/857611478.db2.gz HEABVZZQZJJCMN-KHYOSLBOSA-N 2 1 381.358 3.915 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000077645020 857615993 /nfs/dbraw/zinc/61/59/93/857615993.db2.gz RVWHTYPJSNOERV-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880517 857658358 /nfs/dbraw/zinc/65/83/58/857658358.db2.gz FOWKBVREKBMNAD-MJGOQNOKSA-N 2 1 379.342 3.669 20 0 GHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593728708 857669274 /nfs/dbraw/zinc/66/92/74/857669274.db2.gz DADWXTIBRDCQQU-OLMNPRSZSA-N 2 1 388.533 3.549 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743208 857772557 /nfs/dbraw/zinc/77/25/57/857772557.db2.gz PFTLDCVNKOVRAB-HZPDHXFCSA-N 2 1 381.476 3.605 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743208 857772560 /nfs/dbraw/zinc/77/25/60/857772560.db2.gz PFTLDCVNKOVRAB-HZPDHXFCSA-N 2 1 381.476 3.605 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000486581083 857894800 /nfs/dbraw/zinc/89/48/00/857894800.db2.gz RHQRBKCCXKZCCN-RBUKOAKNSA-N 2 1 399.501 3.597 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000521461478 858003833 /nfs/dbraw/zinc/00/38/33/858003833.db2.gz ORLPALNOCDZFDI-ICSRJNTNSA-N 2 1 377.598 3.587 20 0 GHADMP CCC[N@H+](Cc1noc2c1CCCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477287 858056156 /nfs/dbraw/zinc/05/61/56/858056156.db2.gz DAZHPSCTPJHFID-UHFFFAOYSA-N 2 1 383.540 3.841 20 0 GHADMP CCC[N@@H+](Cc1noc2c1CCCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477287 858056166 /nfs/dbraw/zinc/05/61/66/858056166.db2.gz DAZHPSCTPJHFID-UHFFFAOYSA-N 2 1 383.540 3.841 20 0 GHADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000594507608 858197150 /nfs/dbraw/zinc/19/71/50/858197150.db2.gz OCQBVEIFLDLBML-PUHATCMVSA-N 2 1 378.516 3.786 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000443006256 858305741 /nfs/dbraw/zinc/30/57/41/858305741.db2.gz HYIHKHXGYRHKGW-TZIWHRDSSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000443006256 858305746 /nfs/dbraw/zinc/30/57/46/858305746.db2.gz HYIHKHXGYRHKGW-TZIWHRDSSA-N 2 1 392.465 3.986 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)C1CCCCC1 ZINC000594976909 858337884 /nfs/dbraw/zinc/33/78/84/858337884.db2.gz CPCKXXYSYUYYCL-JOCHJYFZSA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000594976909 858337893 /nfs/dbraw/zinc/33/78/93/858337893.db2.gz CPCKXXYSYUYYCL-JOCHJYFZSA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000594976909 858337901 /nfs/dbraw/zinc/33/79/01/858337901.db2.gz CPCKXXYSYUYYCL-JOCHJYFZSA-N 2 1 398.595 3.735 20 0 GHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765973066 858441431 /nfs/dbraw/zinc/44/14/31/858441431.db2.gz BOINLWLPNDQLDV-LAUBAEHRSA-N 2 1 388.556 3.511 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079392928 858512111 /nfs/dbraw/zinc/51/21/11/858512111.db2.gz MHIULPOUGNPVIX-NRFANRHFSA-N 2 1 392.632 3.939 20 0 GHADMP CCN(C(=O)NCCCCn1cc[nH+]c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474042685 858563321 /nfs/dbraw/zinc/56/33/21/858563321.db2.gz IPXAMJTZOREDET-KNQAVFIVSA-N 2 1 397.567 3.839 20 0 GHADMP CCN(C(=O)NCCCCn1cc[nH+]c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474042685 858563327 /nfs/dbraw/zinc/56/33/27/858563327.db2.gz IPXAMJTZOREDET-KNQAVFIVSA-N 2 1 397.567 3.839 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCc3ccccc3Cl)CC2)CC1 ZINC000181864276 863039343 /nfs/dbraw/zinc/03/93/43/863039343.db2.gz MALDJDBRMWWKFY-UHFFFAOYSA-N 2 1 391.987 3.539 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000157651651 858691965 /nfs/dbraw/zinc/69/19/65/858691965.db2.gz KYRUKRYULUAZNT-MOPGFXCFSA-N 2 1 390.535 3.888 20 0 GHADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900572 858712153 /nfs/dbraw/zinc/71/21/53/858712153.db2.gz HCPCDWLNWNJCQY-IBGZPJMESA-N 2 1 397.519 3.730 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000474060918 858740246 /nfs/dbraw/zinc/74/02/46/858740246.db2.gz SHFJCLFYKRIGSU-KMDXXIMOSA-N 2 1 385.596 3.509 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712997 858774125 /nfs/dbraw/zinc/77/41/25/858774125.db2.gz XNKCFSWLTHJGJV-IIMJZQEZSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712997 858774129 /nfs/dbraw/zinc/77/41/29/858774129.db2.gz XNKCFSWLTHJGJV-IIMJZQEZSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712997 858774134 /nfs/dbraw/zinc/77/41/34/858774134.db2.gz XNKCFSWLTHJGJV-IIMJZQEZSA-N 2 1 399.362 3.682 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000474078053 858784428 /nfs/dbraw/zinc/78/44/28/858784428.db2.gz FFQPNUONNZQFMH-XXBNENTESA-N 2 1 380.532 3.774 20 0 GHADMP C[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000499679417 858797497 /nfs/dbraw/zinc/79/74/97/858797497.db2.gz BTLXRRDNJWLVPZ-FPOVZHCZSA-N 2 1 393.579 3.687 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CCCCC1 ZINC000625833587 858990740 /nfs/dbraw/zinc/99/07/40/858990740.db2.gz QOKGZWGLUJDMMU-ZRZAMGCNSA-N 2 1 384.568 3.914 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466292455 859008994 /nfs/dbraw/zinc/00/89/94/859008994.db2.gz ANXQKTVIPPYQIO-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292455 859009000 /nfs/dbraw/zinc/00/90/00/859009000.db2.gz ANXQKTVIPPYQIO-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292455 859009015 /nfs/dbraw/zinc/00/90/15/859009015.db2.gz ANXQKTVIPPYQIO-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(C[N@H+]1CCCC[C@@H]1CCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000443639290 859119312 /nfs/dbraw/zinc/11/93/12/859119312.db2.gz KKPXWKWUTNWVMZ-JOCHJYFZSA-N 2 1 383.580 3.607 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000543281823 859125159 /nfs/dbraw/zinc/12/51/59/859125159.db2.gz TZICOAIUVBCPFF-VQTJNVASSA-N 2 1 384.568 3.580 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185748224 859125251 /nfs/dbraw/zinc/12/52/51/859125251.db2.gz UAAUQJOHJBUFJI-YESZJQIVSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185748224 859125257 /nfs/dbraw/zinc/12/52/57/859125257.db2.gz UAAUQJOHJBUFJI-YESZJQIVSA-N 2 1 375.582 3.978 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000483083934 859133163 /nfs/dbraw/zinc/13/31/63/859133163.db2.gz MFRGLJXEHFNDMB-NLFFAJNJSA-N 2 1 391.559 3.769 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000483083934 859133170 /nfs/dbraw/zinc/13/31/70/859133170.db2.gz MFRGLJXEHFNDMB-NLFFAJNJSA-N 2 1 391.559 3.769 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)COCc2ccccc2)C[C@H](C)N1Cc1ccccc1 ZINC001168024120 859140081 /nfs/dbraw/zinc/14/00/81/859140081.db2.gz ZZZMZVYYLGFPSU-KZTDQWPFSA-N 2 1 382.548 3.595 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)COCc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024120 859140084 /nfs/dbraw/zinc/14/00/84/859140084.db2.gz ZZZMZVYYLGFPSU-KZTDQWPFSA-N 2 1 382.548 3.595 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)COCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024120 859140089 /nfs/dbraw/zinc/14/00/89/859140089.db2.gz ZZZMZVYYLGFPSU-KZTDQWPFSA-N 2 1 382.548 3.595 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000466715071 859257802 /nfs/dbraw/zinc/25/78/02/859257802.db2.gz DTLZBYAHAZJLHD-KRWDZBQOSA-N 2 1 395.975 3.798 20 0 GHADMP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000483360303 859310752 /nfs/dbraw/zinc/31/07/52/859310752.db2.gz VJOCEVHSQRAMGM-HZPDHXFCSA-N 2 1 379.570 3.511 20 0 GHADMP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000483360303 859310762 /nfs/dbraw/zinc/31/07/62/859310762.db2.gz VJOCEVHSQRAMGM-HZPDHXFCSA-N 2 1 379.570 3.511 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000466734586 859390211 /nfs/dbraw/zinc/39/02/11/859390211.db2.gz JWTUQPDFZSTMNG-QGZVFWFLSA-N 2 1 395.975 3.798 20 0 GHADMP CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@@H]2CCC[NH2+]C2)n1 ZINC000923529140 859397644 /nfs/dbraw/zinc/39/76/44/859397644.db2.gz ZCQMKPMQLZBGNM-PVNZRKONSA-N 2 1 391.625 3.731 20 0 GHADMP CC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062768 859434419 /nfs/dbraw/zinc/43/44/19/859434419.db2.gz FZNIFUZYGGUQPG-UHFFFAOYSA-N 2 1 392.540 3.573 20 0 GHADMP CC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062768 859434426 /nfs/dbraw/zinc/43/44/26/859434426.db2.gz FZNIFUZYGGUQPG-UHFFFAOYSA-N 2 1 392.540 3.573 20 0 GHADMP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000114274541 859521487 /nfs/dbraw/zinc/52/14/87/859521487.db2.gz PQXCRMCOWBKPKV-KRWDZBQOSA-N 2 1 379.504 3.745 20 0 GHADMP C[C@H](CC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000483687506 859542209 /nfs/dbraw/zinc/54/22/09/859542209.db2.gz WCUUAQMRELCTDO-QZTJIDSGSA-N 2 1 389.565 3.619 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000114455458 859613919 /nfs/dbraw/zinc/61/39/19/859613919.db2.gz NOEAAUYRICEDHB-UHFFFAOYSA-N 2 1 398.378 3.947 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000114455458 859613922 /nfs/dbraw/zinc/61/39/22/859613922.db2.gz NOEAAUYRICEDHB-UHFFFAOYSA-N 2 1 398.378 3.947 20 0 GHADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764972893 859704403 /nfs/dbraw/zinc/70/44/03/859704403.db2.gz SAVZYYWEASBRTE-OAGGEKHMSA-N 2 1 388.524 3.702 20 0 GHADMP Cn1c2ccc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc2sc1=O ZINC000474273743 859745029 /nfs/dbraw/zinc/74/50/29/859745029.db2.gz VZKSYLYHGHQCMV-UHFFFAOYSA-N 2 1 395.572 3.944 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000466501842 859759151 /nfs/dbraw/zinc/75/91/51/859759151.db2.gz GIAWLRSNKRONHR-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000499801870 859837804 /nfs/dbraw/zinc/83/78/04/859837804.db2.gz VZWNIJMBQHKGLS-OALUTQOASA-N 2 1 386.584 3.554 20 0 GHADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnc2ccsc2c1 ZINC000484153347 859849096 /nfs/dbraw/zinc/84/90/96/859849096.db2.gz AHEJCXNLAZLMPL-FFZOFVMBSA-N 2 1 381.545 3.830 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607790 859858372 /nfs/dbraw/zinc/85/83/72/859858372.db2.gz YIIJEVAQOMHYNC-WBVHZDCISA-N 2 1 395.473 3.802 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607790 859858381 /nfs/dbraw/zinc/85/83/81/859858381.db2.gz YIIJEVAQOMHYNC-WBVHZDCISA-N 2 1 395.473 3.802 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607790 859858392 /nfs/dbraw/zinc/85/83/92/859858392.db2.gz YIIJEVAQOMHYNC-WBVHZDCISA-N 2 1 395.473 3.802 20 0 GHADMP CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922402348 859926432 /nfs/dbraw/zinc/92/64/32/859926432.db2.gz JCXIFCPEQBEQEU-NJDAHSKKSA-N 2 1 380.536 3.520 20 0 GHADMP CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922402348 859926438 /nfs/dbraw/zinc/92/64/38/859926438.db2.gz JCXIFCPEQBEQEU-NJDAHSKKSA-N 2 1 380.536 3.520 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033712 859982663 /nfs/dbraw/zinc/98/26/63/859982663.db2.gz NIFHXASIJGTCTL-JRLNSDPLSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168033712 859982673 /nfs/dbraw/zinc/98/26/73/859982673.db2.gz NIFHXASIJGTCTL-JRLNSDPLSA-N 2 1 385.596 3.661 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C[C@@H](C)c3ccccc3)cc2)CC1 ZINC000727437428 860078043 /nfs/dbraw/zinc/07/80/43/860078043.db2.gz JUIFTKYGIWITQY-HXUWFJFHSA-N 2 1 394.563 3.503 20 0 GHADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000922501798 860098924 /nfs/dbraw/zinc/09/89/24/860098924.db2.gz BIYSKHHWVVPHCM-UHFFFAOYSA-N 2 1 384.973 3.630 20 0 GHADMP CC[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000727759437 860217971 /nfs/dbraw/zinc/21/79/71/860217971.db2.gz UJIFYMSZYJYFDM-UHFFFAOYSA-N 2 1 394.563 3.809 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000727759437 860217972 /nfs/dbraw/zinc/21/79/72/860217972.db2.gz UJIFYMSZYJYFDM-UHFFFAOYSA-N 2 1 394.563 3.809 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533875696 860243783 /nfs/dbraw/zinc/24/37/83/860243783.db2.gz DVGIAOIMYKENBR-OAQYLSRUSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533875696 860243794 /nfs/dbraw/zinc/24/37/94/860243794.db2.gz DVGIAOIMYKENBR-OAQYLSRUSA-N 2 1 396.535 3.715 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000182528857 860304431 /nfs/dbraw/zinc/30/44/31/860304431.db2.gz DSBURAMXMRMAES-PKTZIBPZSA-N 2 1 398.595 3.688 20 0 GHADMP COC(=O)c1coc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000602839486 860309777 /nfs/dbraw/zinc/30/97/77/860309777.db2.gz KCIAYQKFRQZTGJ-KRWDZBQOSA-N 2 1 383.492 3.510 20 0 GHADMP COC(=O)c1coc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000602839486 860309785 /nfs/dbraw/zinc/30/97/85/860309785.db2.gz KCIAYQKFRQZTGJ-KRWDZBQOSA-N 2 1 383.492 3.510 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000474546580 860331990 /nfs/dbraw/zinc/33/19/90/860331990.db2.gz HZKHXWORHLTIBP-HMGIHFHHSA-N 2 1 398.595 3.603 20 0 GHADMP O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000025701073 860411524 /nfs/dbraw/zinc/41/15/24/860411524.db2.gz ORBFNXJPBDJZAV-QHCPKHFHSA-N 2 1 377.532 3.782 20 0 GHADMP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000904429018 860430073 /nfs/dbraw/zinc/43/00/73/860430073.db2.gz URMHKJVWDPRIOL-ZEYPLWLESA-N 2 1 389.503 3.557 20 0 GHADMP COc1ccc2nc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)sc2c1 ZINC000904473410 860465260 /nfs/dbraw/zinc/46/52/60/860465260.db2.gz QVNMTFRYCNEDGI-LAUBAEHRSA-N 2 1 381.501 3.650 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n2c1CCCC2 ZINC000598639832 860468140 /nfs/dbraw/zinc/46/81/40/860468140.db2.gz JYASPOFIAMFPLO-UHFFFAOYSA-N 2 1 383.536 3.741 20 0 GHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1C(F)(F)F ZINC000484903713 860475845 /nfs/dbraw/zinc/47/58/45/860475845.db2.gz KIMQVECFDVDKGA-JOCBIADPSA-N 2 1 386.458 3.610 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000054510299 860606735 /nfs/dbraw/zinc/60/67/35/860606735.db2.gz VVIKVGCDGGXQDB-OALUTQOASA-N 2 1 392.613 3.552 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030906 860617545 /nfs/dbraw/zinc/61/75/45/860617545.db2.gz IJZDCUBYHLEPAV-WOJBJXKFSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030906 860617550 /nfs/dbraw/zinc/61/75/50/860617550.db2.gz IJZDCUBYHLEPAV-WOJBJXKFSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030906 860617557 /nfs/dbraw/zinc/61/75/57/860617557.db2.gz IJZDCUBYHLEPAV-WOJBJXKFSA-N 2 1 392.975 3.601 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCOc3ccc(F)cc3)C2)ccn1 ZINC000856592762 881566060 /nfs/dbraw/zinc/56/60/60/881566060.db2.gz JUTBZAUWAJRIOM-QFIPXVFZSA-N 2 1 387.499 3.595 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCOc3ccc(F)cc3)C2)ccn1 ZINC000856592762 881566074 /nfs/dbraw/zinc/56/60/74/881566074.db2.gz JUTBZAUWAJRIOM-QFIPXVFZSA-N 2 1 387.499 3.595 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCOc3ccc(F)cc3)C2)ccn1 ZINC000856592762 881566087 /nfs/dbraw/zinc/56/60/87/881566087.db2.gz JUTBZAUWAJRIOM-QFIPXVFZSA-N 2 1 387.499 3.595 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCOc3ccccc3C)C2)ccn1 ZINC000856593015 881566872 /nfs/dbraw/zinc/56/68/72/881566872.db2.gz YQSZLQJBQAHZSD-JOCHJYFZSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCOc3ccccc3C)C2)ccn1 ZINC000856593015 881566878 /nfs/dbraw/zinc/56/68/78/881566878.db2.gz YQSZLQJBQAHZSD-JOCHJYFZSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCOc3ccccc3C)C2)ccn1 ZINC000856593015 881566883 /nfs/dbraw/zinc/56/68/83/881566883.db2.gz YQSZLQJBQAHZSD-JOCHJYFZSA-N 2 1 383.536 3.764 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856603176 881575812 /nfs/dbraw/zinc/57/58/12/881575812.db2.gz CNUHUOYSGCXNSW-HSZRJFAPSA-N 2 1 397.519 3.500 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856603176 881575832 /nfs/dbraw/zinc/57/58/32/881575832.db2.gz CNUHUOYSGCXNSW-HSZRJFAPSA-N 2 1 397.519 3.500 20 0 GHADMP CO[C@@H](C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607166 881585422 /nfs/dbraw/zinc/58/54/22/881585422.db2.gz XGEOEJHPHOQRMP-YADHBBJMSA-N 2 1 375.557 3.580 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607166 881585429 /nfs/dbraw/zinc/58/54/29/881585429.db2.gz XGEOEJHPHOQRMP-YADHBBJMSA-N 2 1 375.557 3.580 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607166 881585438 /nfs/dbraw/zinc/58/54/38/881585438.db2.gz XGEOEJHPHOQRMP-YADHBBJMSA-N 2 1 375.557 3.580 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192683249 860906240 /nfs/dbraw/zinc/90/62/40/860906240.db2.gz NMLRLGIRFVYDGC-XMMPIXPASA-N 2 1 378.564 3.861 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000481307056 861000052 /nfs/dbraw/zinc/00/00/52/861000052.db2.gz ITQZSPKSFNWRDQ-HYBUGGRVSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000481307056 861000063 /nfs/dbraw/zinc/00/00/63/861000063.db2.gz ITQZSPKSFNWRDQ-HYBUGGRVSA-N 2 1 381.564 3.627 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446048 861076151 /nfs/dbraw/zinc/07/61/51/861076151.db2.gz OIXLOVBQEXJQMJ-ZIAGYGMSSA-N 2 1 390.881 3.795 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000730588803 861183806 /nfs/dbraw/zinc/18/38/06/861183806.db2.gz GTFOUGFBKHFPRK-UHFFFAOYSA-N 2 1 394.991 3.933 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000605572981 863156350 /nfs/dbraw/zinc/15/63/50/863156350.db2.gz SPEUNWZMPWCXTI-UHFFFAOYSA-N 2 1 390.325 3.546 20 0 GHADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000482565617 863318053 /nfs/dbraw/zinc/31/80/53/863318053.db2.gz YSSWKATZLOAGAP-QFBILLFUSA-N 2 1 395.975 3.613 20 0 GHADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000482565617 863318072 /nfs/dbraw/zinc/31/80/72/863318072.db2.gz YSSWKATZLOAGAP-QFBILLFUSA-N 2 1 395.975 3.613 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)o1 ZINC000606208462 863463109 /nfs/dbraw/zinc/46/31/09/863463109.db2.gz FKOMKKZPVPZIPO-QZTJIDSGSA-N 2 1 399.535 3.983 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000856717992 881683715 /nfs/dbraw/zinc/68/37/15/881683715.db2.gz LYPGURPFCXMEHE-GOTSBHOMSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000856717992 881683727 /nfs/dbraw/zinc/68/37/27/881683727.db2.gz LYPGURPFCXMEHE-GOTSBHOMSA-N 2 1 377.532 3.500 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000606707100 863772628 /nfs/dbraw/zinc/77/26/28/863772628.db2.gz UWNBYSPLAAFXEO-UHFFFAOYSA-N 2 1 392.632 3.940 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(c4ccccc4)CC3(C)C)CC2)CC1 ZINC000621219607 863885228 /nfs/dbraw/zinc/88/52/28/863885228.db2.gz HGLXZWKKARLPSV-RUZDIDTESA-N 2 1 397.607 3.667 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCc2sccc2C1 ZINC000103229028 863914527 /nfs/dbraw/zinc/91/45/27/863914527.db2.gz DYYXAHXPODBADS-LJQANCHMSA-N 2 1 389.609 3.611 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103305945 863950295 /nfs/dbraw/zinc/95/02/95/863950295.db2.gz LXSXQFSOXVTGLG-FCHUYYIVSA-N 2 1 392.632 3.939 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000120766737 881714008 /nfs/dbraw/zinc/71/40/08/881714008.db2.gz VFGLHSZFLFUZAY-NQIIRXRSSA-N 2 1 390.572 3.601 20 0 GHADMP c1cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n(-c2cc[nH+]cc2)n1 ZINC000667616356 863971388 /nfs/dbraw/zinc/97/13/88/863971388.db2.gz PZELJFDXEDUUFG-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2cccs2)CC1 ZINC000159067664 864021521 /nfs/dbraw/zinc/02/15/21/864021521.db2.gz GQRNADIVANWBMV-SFHVURJKSA-N 2 1 377.598 3.683 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2cccs2)CC1 ZINC000159067664 864021535 /nfs/dbraw/zinc/02/15/35/864021535.db2.gz GQRNADIVANWBMV-SFHVURJKSA-N 2 1 377.598 3.683 20 0 GHADMP CC(C)(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000645786899 864028096 /nfs/dbraw/zinc/02/80/96/864028096.db2.gz IIALGTZXKHWRRQ-IRLDBZIGSA-N 2 1 379.548 3.741 20 0 GHADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000554300869 864083815 /nfs/dbraw/zinc/08/38/15/864083815.db2.gz GRKXMDBASIHAEH-GEALJGNFSA-N 2 1 375.944 3.514 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000607171638 864134192 /nfs/dbraw/zinc/13/41/92/864134192.db2.gz RLIQEHAZGMWMHN-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000475101418 864175813 /nfs/dbraw/zinc/17/58/13/864175813.db2.gz NZFDGDSRHPLWQZ-NHCUHLMSSA-N 2 1 398.551 3.578 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000607284467 864243613 /nfs/dbraw/zinc/24/36/13/864243613.db2.gz JBFBHPBSSKOVLE-NHCUHLMSSA-N 2 1 383.536 3.833 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475147711 864299063 /nfs/dbraw/zinc/29/90/63/864299063.db2.gz HHSZETWWDAMSGW-DEOSSOPVSA-N 2 1 398.595 3.557 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CC)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000480255999 864339819 /nfs/dbraw/zinc/33/98/19/864339819.db2.gz YBYREXUZRYLJFF-HUVFLSCGSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CC)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000480255999 864339829 /nfs/dbraw/zinc/33/98/29/864339829.db2.gz YBYREXUZRYLJFF-HUVFLSCGSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](CC)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000480255999 864339838 /nfs/dbraw/zinc/33/98/38/864339838.db2.gz YBYREXUZRYLJFF-HUVFLSCGSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000480255999 864339843 /nfs/dbraw/zinc/33/98/43/864339843.db2.gz YBYREXUZRYLJFF-HUVFLSCGSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000480255999 864339851 /nfs/dbraw/zinc/33/98/51/864339851.db2.gz YBYREXUZRYLJFF-HUVFLSCGSA-N 2 1 387.612 3.550 20 0 GHADMP CCOc1cncc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000621727564 864384021 /nfs/dbraw/zinc/38/40/21/864384021.db2.gz IONJZDDUSDIEEM-UHFFFAOYSA-N 2 1 398.551 3.597 20 0 GHADMP CCOc1cncc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000621727564 864384038 /nfs/dbraw/zinc/38/40/38/864384038.db2.gz IONJZDDUSDIEEM-UHFFFAOYSA-N 2 1 398.551 3.597 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000182563739 864612890 /nfs/dbraw/zinc/61/28/90/864612890.db2.gz HXOHZMLZGBWYFS-UZKOGDIHSA-N 2 1 386.584 3.550 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000120847901 881787335 /nfs/dbraw/zinc/78/73/35/881787335.db2.gz DBJJUFWDBADNMI-UHFFFAOYSA-N 2 1 397.567 3.655 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000444334820 864657405 /nfs/dbraw/zinc/65/74/05/864657405.db2.gz DALMMXIVVXZCAI-SQNIBIBYSA-N 2 1 383.540 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000444334820 864657419 /nfs/dbraw/zinc/65/74/19/864657419.db2.gz DALMMXIVVXZCAI-SQNIBIBYSA-N 2 1 383.540 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000444334818 864657464 /nfs/dbraw/zinc/65/74/64/864657464.db2.gz DALMMXIVVXZCAI-KSZLIROESA-N 2 1 383.540 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000444334818 864657474 /nfs/dbraw/zinc/65/74/74/864657474.db2.gz DALMMXIVVXZCAI-KSZLIROESA-N 2 1 383.540 3.804 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(OC)c1OC ZINC000165305712 864662324 /nfs/dbraw/zinc/66/23/24/864662324.db2.gz CCEDLMBVIZCGOB-ICSRJNTNSA-N 2 1 398.547 3.928 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@H](C)C1 ZINC000165418463 864670184 /nfs/dbraw/zinc/67/01/84/864670184.db2.gz XAAMBGIXXZIAAE-AEFFLSMTSA-N 2 1 385.508 3.711 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@H](C)C1 ZINC000165418463 864670187 /nfs/dbraw/zinc/67/01/87/864670187.db2.gz XAAMBGIXXZIAAE-AEFFLSMTSA-N 2 1 385.508 3.711 20 0 GHADMP CC[N@@H+](CCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C(C)C ZINC000455946855 864700707 /nfs/dbraw/zinc/70/07/07/864700707.db2.gz QQAUWOQEVYTROH-UHFFFAOYSA-N 2 1 396.963 3.665 20 0 GHADMP COCC[N@@H+](C)CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994561 864706945 /nfs/dbraw/zinc/70/69/45/864706945.db2.gz SSGIKDMCIOUUCG-RXVVDRJESA-N 2 1 384.520 3.818 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000480577485 864901276 /nfs/dbraw/zinc/90/12/76/864901276.db2.gz FWGMRDDQFWBDOT-HYBUGGRVSA-N 2 1 381.564 3.690 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC000480615770 864951621 /nfs/dbraw/zinc/95/16/21/864951621.db2.gz SYKDEQNFZIVDQL-OAQYLSRUSA-N 2 1 385.939 3.969 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(N3CCCCC3=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064192 864975509 /nfs/dbraw/zinc/97/55/09/864975509.db2.gz OWJHWZWGXCMKRM-JHDGKUDLSA-N 2 1 383.580 3.905 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000622607451 865098560 /nfs/dbraw/zinc/09/85/60/865098560.db2.gz MSEUKXCDAKFEQX-GOSISDBHSA-N 2 1 392.613 3.524 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)cc1 ZINC000899048087 865181422 /nfs/dbraw/zinc/18/14/22/865181422.db2.gz WMAZPSNVCWPGMV-UHFFFAOYSA-N 2 1 399.926 3.805 20 0 GHADMP Cc1cc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c2ccccc2[nH+]1 ZINC000301209995 865227145 /nfs/dbraw/zinc/22/71/45/865227145.db2.gz VVYVPPKXEVHTNT-FQEVSTJZSA-N 2 1 388.515 3.853 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000480778555 865252093 /nfs/dbraw/zinc/25/20/93/865252093.db2.gz IKIKHXOVVAAURS-AVRDEDQJSA-N 2 1 385.527 3.864 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000480776631 865277412 /nfs/dbraw/zinc/27/74/12/865277412.db2.gz CVYILCMUUJBMHF-RPWUZVMVSA-N 2 1 379.548 3.651 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000171764746 865362054 /nfs/dbraw/zinc/36/20/54/865362054.db2.gz GXTPKUBIGOADSX-CQSZACIVSA-N 2 1 388.313 3.566 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000301469933 865378947 /nfs/dbraw/zinc/37/89/47/865378947.db2.gz OHIYWUHXKANWJD-KRWDZBQOSA-N 2 1 387.597 3.824 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500914 865389833 /nfs/dbraw/zinc/38/98/33/865389833.db2.gz SJQXCDUWIDDUAA-CABCVRRESA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500914 865389850 /nfs/dbraw/zinc/38/98/50/865389850.db2.gz SJQXCDUWIDDUAA-CABCVRRESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500914 865389868 /nfs/dbraw/zinc/38/98/68/865389868.db2.gz SJQXCDUWIDDUAA-CABCVRRESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500914 865389886 /nfs/dbraw/zinc/38/98/86/865389886.db2.gz SJQXCDUWIDDUAA-CABCVRRESA-N 2 1 375.340 3.539 20 0 GHADMP COc1cccc2c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc(C)[nH+]c12 ZINC000302071792 865697741 /nfs/dbraw/zinc/69/77/41/865697741.db2.gz YVNXXRMGQUZGLA-IBGZPJMESA-N 2 1 377.488 3.731 20 0 GHADMP COc1cccc2c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)cc(C)[nH+]c12 ZINC000302071792 865697745 /nfs/dbraw/zinc/69/77/45/865697745.db2.gz YVNXXRMGQUZGLA-IBGZPJMESA-N 2 1 377.488 3.731 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000555380593 866035306 /nfs/dbraw/zinc/03/53/06/866035306.db2.gz YMQJFKIZYLIGBW-QPTUXGOLSA-N 2 1 382.523 3.716 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000555380593 866035319 /nfs/dbraw/zinc/03/53/19/866035319.db2.gz YMQJFKIZYLIGBW-QPTUXGOLSA-N 2 1 382.523 3.716 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000555380593 866035330 /nfs/dbraw/zinc/03/53/30/866035330.db2.gz YMQJFKIZYLIGBW-QPTUXGOLSA-N 2 1 382.523 3.716 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000475502506 866091509 /nfs/dbraw/zinc/09/15/09/866091509.db2.gz NVXWWLSZMKRYHS-AIRYKSJBSA-N 2 1 389.543 3.703 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000475502506 866091526 /nfs/dbraw/zinc/09/15/26/866091526.db2.gz NVXWWLSZMKRYHS-AIRYKSJBSA-N 2 1 389.543 3.703 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000667850028 866096903 /nfs/dbraw/zinc/09/69/03/866096903.db2.gz YGBZUQVKTQGYBN-AJSBUHFISA-N 2 1 390.531 3.712 20 0 GHADMP CN1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100312 866131041 /nfs/dbraw/zinc/13/10/41/866131041.db2.gz AHGDHKCLLJUQFS-RTBURBONSA-N 2 1 392.975 3.601 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100312 866131050 /nfs/dbraw/zinc/13/10/50/866131050.db2.gz AHGDHKCLLJUQFS-RTBURBONSA-N 2 1 392.975 3.601 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100312 866131054 /nfs/dbraw/zinc/13/10/54/866131054.db2.gz AHGDHKCLLJUQFS-RTBURBONSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100312 866131060 /nfs/dbraw/zinc/13/10/60/866131060.db2.gz AHGDHKCLLJUQFS-RTBURBONSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100312 866131066 /nfs/dbraw/zinc/13/10/66/866131066.db2.gz AHGDHKCLLJUQFS-RTBURBONSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCCC1 ZINC000534248598 866372342 /nfs/dbraw/zinc/37/23/42/866372342.db2.gz HAFPFUBVKYTIGW-OAQYLSRUSA-N 2 1 383.580 3.766 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000552916508 866489017 /nfs/dbraw/zinc/48/90/17/866489017.db2.gz SUHYQPUUQPZFIN-UHFFFAOYSA-N 2 1 394.357 3.584 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152479590 866567656 /nfs/dbraw/zinc/56/76/56/866567656.db2.gz LGHHRPVAQKBCJY-IAGOWNOFSA-N 2 1 376.566 3.538 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000475607660 866889572 /nfs/dbraw/zinc/88/95/72/866889572.db2.gz XHWIEGDANMZPFP-HNNXBMFYSA-N 2 1 399.501 3.953 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000153694353 867029402 /nfs/dbraw/zinc/02/94/02/867029402.db2.gz QNGQFYVMOLQAEW-UTKZUKDTSA-N 2 1 396.560 3.966 20 0 GHADMP CC(C)c1ccc2cc(C(=O)NCC3(N4CCCCC4)CC[NH+](C)CC3)[nH]c2c1 ZINC000742133762 867069140 /nfs/dbraw/zinc/06/91/40/867069140.db2.gz AKRKZRGSQLCUQO-UHFFFAOYSA-N 2 1 396.579 3.971 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)[C@H](C)C1 ZINC000479078558 867141206 /nfs/dbraw/zinc/14/12/06/867141206.db2.gz JLOYBJMQIMHWHW-WTIAFYNJSA-N 2 1 396.579 3.976 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)[C@H](C)C1 ZINC000479078558 867141218 /nfs/dbraw/zinc/14/12/18/867141218.db2.gz JLOYBJMQIMHWHW-WTIAFYNJSA-N 2 1 396.579 3.976 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314468 867153166 /nfs/dbraw/zinc/15/31/66/867153166.db2.gz MHSUJSQPJNONTC-FPOVZHCZSA-N 2 1 385.577 3.769 20 0 GHADMP C/C(=C\C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000857148210 882053137 /nfs/dbraw/zinc/05/31/37/882053137.db2.gz KALAQUFMKIQIHE-ISLYRVAYSA-N 2 1 389.609 3.806 20 0 GHADMP CN(C)c1ccc(N2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000742377450 867270472 /nfs/dbraw/zinc/27/04/72/867270472.db2.gz CVIMFLQLKRYIHQ-UHFFFAOYSA-N 2 1 392.591 3.976 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000857174588 882085440 /nfs/dbraw/zinc/08/54/40/882085440.db2.gz JTHZMKNOKSCJHM-VLCRHTCISA-N 2 1 383.580 3.879 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857174588 882085447 /nfs/dbraw/zinc/08/54/47/882085447.db2.gz JTHZMKNOKSCJHM-VLCRHTCISA-N 2 1 383.580 3.879 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000857174588 882085469 /nfs/dbraw/zinc/08/54/69/882085469.db2.gz JTHZMKNOKSCJHM-VLCRHTCISA-N 2 1 383.580 3.879 20 0 GHADMP FC(F)(F)COc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccn1 ZINC000155212032 867806865 /nfs/dbraw/zinc/80/68/65/867806865.db2.gz VHKDOYWPSWOPDP-UHFFFAOYSA-N 2 1 393.453 3.819 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000553657278 867849736 /nfs/dbraw/zinc/84/97/36/867849736.db2.gz DCKKDGIPIQRYIH-AYOQOUSVSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000553657278 867849753 /nfs/dbraw/zinc/84/97/53/867849753.db2.gz DCKKDGIPIQRYIH-AYOQOUSVSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000553657278 867849768 /nfs/dbraw/zinc/84/97/68/867849768.db2.gz DCKKDGIPIQRYIH-AYOQOUSVSA-N 2 1 380.964 3.505 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183845927 868362503 /nfs/dbraw/zinc/36/25/03/868362503.db2.gz AGAITQYOKIWSBB-UYAOXDASSA-N 2 1 397.604 3.644 20 0 GHADMP Cc1[nH+]ccn1CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000457500536 868389270 /nfs/dbraw/zinc/38/92/70/868389270.db2.gz OILLXPNGWKIQNV-UHFFFAOYSA-N 2 1 395.334 3.623 20 0 GHADMP CCN(Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549693 868462785 /nfs/dbraw/zinc/46/27/85/868462785.db2.gz TXZBHAWYVCCUKT-UGKGYDQZSA-N 2 1 375.520 3.925 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000524155892 868624263 /nfs/dbraw/zinc/62/42/63/868624263.db2.gz JTNDYXPMWAJJMV-ZRCGQRJVSA-N 2 1 385.596 3.914 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000621107739 868719730 /nfs/dbraw/zinc/71/97/30/868719730.db2.gz LQLJGCVLKBBUKF-TZIWHRDSSA-N 2 1 398.595 3.731 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000621107739 868719740 /nfs/dbraw/zinc/71/97/40/868719740.db2.gz LQLJGCVLKBBUKF-TZIWHRDSSA-N 2 1 398.595 3.731 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000524515255 869192482 /nfs/dbraw/zinc/19/24/82/869192482.db2.gz MOIRDWSAYZROBH-NRFANRHFSA-N 2 1 388.600 3.723 20 0 GHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC000508852088 869254761 /nfs/dbraw/zinc/25/47/61/869254761.db2.gz ITLKWHWNCYBOCR-SIKLNZKXSA-N 2 1 386.584 3.646 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446142626 869458574 /nfs/dbraw/zinc/45/85/74/869458574.db2.gz ZVCPDNNFKLIORH-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000446258119 869618775 /nfs/dbraw/zinc/61/87/75/869618775.db2.gz DJCRHGDLEJMXBH-KNLNXMFASA-N 2 1 385.552 3.532 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446573303 870025201 /nfs/dbraw/zinc/02/52/01/870025201.db2.gz VYSTXARERKEUHQ-WIYYLYMNSA-N 2 1 380.536 3.748 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539951702 870076830 /nfs/dbraw/zinc/07/68/30/870076830.db2.gz WRLRJGKJIDBSKB-LJQANCHMSA-N 3 1 393.019 3.836 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000539951702 870076837 /nfs/dbraw/zinc/07/68/37/870076837.db2.gz WRLRJGKJIDBSKB-LJQANCHMSA-N 2 1 393.019 3.836 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000539951702 870076841 /nfs/dbraw/zinc/07/68/41/870076841.db2.gz WRLRJGKJIDBSKB-LJQANCHMSA-N 2 1 393.019 3.836 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000525224886 870198355 /nfs/dbraw/zinc/19/83/55/870198355.db2.gz NEBBVGKJSFGFQR-AWEZNQCLSA-N 2 1 387.355 3.873 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001170436596 882383708 /nfs/dbraw/zinc/38/37/08/882383708.db2.gz JKHLUKKQMKAVSL-MOPGFXCFSA-N 2 1 388.552 3.748 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1)CC1CC1 ZINC000540049265 870262907 /nfs/dbraw/zinc/26/29/07/870262907.db2.gz IVQDQGDLLYJWRH-UHFFFAOYSA-N 2 1 376.516 3.946 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000248050839 870272945 /nfs/dbraw/zinc/27/29/45/870272945.db2.gz WGASOYYJFVLNPH-KNKQGSTJSA-N 2 1 377.532 3.572 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000248050839 870272961 /nfs/dbraw/zinc/27/29/61/870272961.db2.gz WGASOYYJFVLNPH-KNKQGSTJSA-N 2 1 377.532 3.572 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248394295 870367893 /nfs/dbraw/zinc/36/78/93/870367893.db2.gz FPCINYAODZJUPJ-LNLFQRSKSA-N 2 1 393.597 3.752 20 0 GHADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000538720973 870418508 /nfs/dbraw/zinc/41/85/08/870418508.db2.gz HXYBWWKCILKRRJ-KNQAVFIVSA-N 2 1 379.552 3.510 20 0 GHADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000538720973 870418520 /nfs/dbraw/zinc/41/85/20/870418520.db2.gz HXYBWWKCILKRRJ-KNQAVFIVSA-N 2 1 379.552 3.510 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000538724233 870430797 /nfs/dbraw/zinc/43/07/97/870430797.db2.gz YVOHIBASCORRPD-HTAPYJJXSA-N 2 1 385.527 3.852 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000538724233 870430807 /nfs/dbraw/zinc/43/08/07/870430807.db2.gz YVOHIBASCORRPD-HTAPYJJXSA-N 2 1 385.527 3.852 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000122112711 882421113 /nfs/dbraw/zinc/42/11/13/882421113.db2.gz PWRXCIQNAFWUHE-INIZCTEOSA-N 2 1 392.569 3.930 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000122112711 882421119 /nfs/dbraw/zinc/42/11/19/882421119.db2.gz PWRXCIQNAFWUHE-INIZCTEOSA-N 2 1 392.569 3.930 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383528 870591607 /nfs/dbraw/zinc/59/16/07/870591607.db2.gz WXPKHSXQZLCWFQ-HNNXBMFYSA-N 2 1 380.508 3.972 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000540168620 870652211 /nfs/dbraw/zinc/65/22/11/870652211.db2.gz DTSDBEWTWJFLCY-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000540168620 870652217 /nfs/dbraw/zinc/65/22/17/870652217.db2.gz DTSDBEWTWJFLCY-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc3cc(F)ccc3n2C)CC[N@@H+]1Cc1ccccc1 ZINC000540170787 870655717 /nfs/dbraw/zinc/65/57/17/870655717.db2.gz WLVJIRNPBVOXGD-XLIONFOSSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc3cc(F)ccc3n2C)CC[N@H+]1Cc1ccccc1 ZINC000540170787 870655721 /nfs/dbraw/zinc/65/57/21/870655721.db2.gz WLVJIRNPBVOXGD-XLIONFOSSA-N 2 1 380.511 3.898 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000248830421 870655954 /nfs/dbraw/zinc/65/59/54/870655954.db2.gz FAYRPRPXFZFBLL-DNVCBOLYSA-N 2 1 387.574 3.834 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000248830421 870655961 /nfs/dbraw/zinc/65/59/61/870655961.db2.gz FAYRPRPXFZFBLL-DNVCBOLYSA-N 2 1 387.574 3.834 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc(C)c2C)CC1 ZINC001192832292 870704299 /nfs/dbraw/zinc/70/42/99/870704299.db2.gz GXFWPFRKYCRDDR-JOCHJYFZSA-N 2 1 393.575 3.997 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000249285554 870802940 /nfs/dbraw/zinc/80/29/40/870802940.db2.gz LNUKQUBRYPIDRM-ZWOKBUDYSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000249285554 870802943 /nfs/dbraw/zinc/80/29/43/870802943.db2.gz LNUKQUBRYPIDRM-ZWOKBUDYSA-N 2 1 395.975 3.702 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000249287078 870804067 /nfs/dbraw/zinc/80/40/67/870804067.db2.gz LVFMONCAPFNTAT-YPGOJHLTSA-N 2 1 384.495 3.938 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000249287078 870804075 /nfs/dbraw/zinc/80/40/75/870804075.db2.gz LVFMONCAPFNTAT-YPGOJHLTSA-N 2 1 384.495 3.938 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1)C[C@@H]1CCCCO1 ZINC000775558997 870821514 /nfs/dbraw/zinc/82/15/14/870821514.db2.gz CDFJBAXHQSIIMR-NRFANRHFSA-N 2 1 387.568 3.889 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncccc1Br ZINC001168826057 870880136 /nfs/dbraw/zinc/88/01/36/870880136.db2.gz OBSPHGJKXTZBOP-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncccc1Br ZINC001168826057 870880142 /nfs/dbraw/zinc/88/01/42/870880142.db2.gz OBSPHGJKXTZBOP-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000249727776 870890723 /nfs/dbraw/zinc/89/07/23/870890723.db2.gz TYQZKFVPNLBMCA-RBUKOAKNSA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000249727776 870890735 /nfs/dbraw/zinc/89/07/35/870890735.db2.gz TYQZKFVPNLBMCA-RBUKOAKNSA-N 2 1 397.567 3.701 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(CC[NH+](CC)CC(C)C)CC2)C1 ZINC000540277116 870893383 /nfs/dbraw/zinc/89/33/83/870893383.db2.gz UURVPLJLLTWWSY-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)C1 ZINC000540277116 870893389 /nfs/dbraw/zinc/89/33/89/870893389.db2.gz UURVPLJLLTWWSY-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1 ZINC000540277116 870893393 /nfs/dbraw/zinc/89/33/93/870893393.db2.gz UURVPLJLLTWWSY-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000463111524 870905643 /nfs/dbraw/zinc/90/56/43/870905643.db2.gz YOOOLTYVNLXWJL-HZPDHXFCSA-N 2 1 385.474 3.812 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000122171453 882458138 /nfs/dbraw/zinc/45/81/38/882458138.db2.gz XJWLIEGVDUDUKD-INIZCTEOSA-N 2 1 392.569 3.930 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000122171453 882458141 /nfs/dbraw/zinc/45/81/41/882458141.db2.gz XJWLIEGVDUDUKD-INIZCTEOSA-N 2 1 392.569 3.930 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)cn1 ZINC000617865807 870973309 /nfs/dbraw/zinc/97/33/09/870973309.db2.gz QMTJDEWURMQSHU-UHFFFAOYSA-N 2 1 395.532 3.599 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000447092192 870978151 /nfs/dbraw/zinc/97/81/51/870978151.db2.gz YMIXRZSEKDCELE-QGZVFWFLSA-N 2 1 385.577 3.972 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463137269 870984871 /nfs/dbraw/zinc/98/48/71/870984871.db2.gz JVDCCJCOOZNWDF-DENIHFKCSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000463137269 870984876 /nfs/dbraw/zinc/98/48/76/870984876.db2.gz JVDCCJCOOZNWDF-DENIHFKCSA-N 2 1 377.532 3.956 20 0 GHADMP CCN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000617926798 871031250 /nfs/dbraw/zinc/03/12/50/871031250.db2.gz JACVNHLCDCESHU-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CCN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H]1CC[NH+](CC)C1 ZINC000617926798 871031268 /nfs/dbraw/zinc/03/12/68/871031268.db2.gz JACVNHLCDCESHU-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1CC[NH+](CC)C1 ZINC000617926798 871031285 /nfs/dbraw/zinc/03/12/85/871031285.db2.gz JACVNHLCDCESHU-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871036961 /nfs/dbraw/zinc/03/69/61/871036961.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 2 1 387.612 3.721 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871036973 /nfs/dbraw/zinc/03/69/73/871036973.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 2 1 387.612 3.721 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871036986 /nfs/dbraw/zinc/03/69/86/871036986.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 2 1 387.612 3.721 20 0 GHADMP CCCC[NH+](C)CC1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871037000 /nfs/dbraw/zinc/03/70/00/871037000.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 2 1 387.612 3.721 20 0 GHADMP CCCC[NH+](C)CC1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429716723 871037017 /nfs/dbraw/zinc/03/70/17/871037017.db2.gz KOOPUCKRJUPOPO-XMMPIXPASA-N 2 1 387.612 3.721 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463191670 871097703 /nfs/dbraw/zinc/09/77/03/871097703.db2.gz NCCPANDIFXHYAZ-ISKFKSNPSA-N 3 1 398.639 3.579 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463191670 871097717 /nfs/dbraw/zinc/09/77/17/871097717.db2.gz NCCPANDIFXHYAZ-ISKFKSNPSA-N 3 1 398.639 3.579 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001169064912 871149880 /nfs/dbraw/zinc/14/98/80/871149880.db2.gz BXVWKTJTSFYJNO-OAHLLOKOSA-N 2 1 391.968 3.883 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169097826 871173884 /nfs/dbraw/zinc/17/38/84/871173884.db2.gz CDUVHMFFSRGENN-MRSOFBGISA-N 2 1 377.573 3.771 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449123841 871209180 /nfs/dbraw/zinc/20/91/80/871209180.db2.gz NZYCBUBZIHQJHX-WIYYLYMNSA-N 2 1 391.987 3.584 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccccc3C(F)(F)F)CC1)C2 ZINC001169119034 871209989 /nfs/dbraw/zinc/20/99/89/871209989.db2.gz PCXOAPZWVWHXRG-PIIMJCKOSA-N 2 1 381.486 3.666 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449125177 871212153 /nfs/dbraw/zinc/21/21/53/871212153.db2.gz QPMPLJQXOSVVQO-FQEVSTJZSA-N 2 1 389.971 3.808 20 0 GHADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001193649005 871214719 /nfs/dbraw/zinc/21/47/19/871214719.db2.gz KQULVHLWGMXNOZ-GGAORHGYSA-N 2 1 385.596 3.978 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3Br)CC1)C2 ZINC001169109084 871232104 /nfs/dbraw/zinc/23/21/04/871232104.db2.gz HLSIIGNURTYNGO-LDLYASANSA-N 2 1 392.385 3.628 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC001169150465 871262676 /nfs/dbraw/zinc/26/26/76/871262676.db2.gz SMLHRWZUOKFRMS-XMMPIXPASA-N 2 1 391.559 3.985 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(CN4CCCC4)on3)cc2)C1 ZINC000461915671 871263559 /nfs/dbraw/zinc/26/35/59/871263559.db2.gz UAYUDXGYRDVVPD-QGZVFWFLSA-N 2 1 382.508 3.755 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)C1 ZINC000461915671 871263571 /nfs/dbraw/zinc/26/35/71/871263571.db2.gz UAYUDXGYRDVVPD-QGZVFWFLSA-N 2 1 382.508 3.755 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)C1 ZINC000461915671 871263589 /nfs/dbraw/zinc/26/35/89/871263589.db2.gz UAYUDXGYRDVVPD-QGZVFWFLSA-N 2 1 382.508 3.755 20 0 GHADMP C[C@@H]1C[C@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463260311 871279306 /nfs/dbraw/zinc/27/93/06/871279306.db2.gz CEPIBEWWYCPMAJ-MAODMQOUSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CCN1Cc1ccccc1 ZINC000463260311 871279323 /nfs/dbraw/zinc/27/93/23/871279323.db2.gz CEPIBEWWYCPMAJ-MAODMQOUSA-N 2 1 385.939 3.899 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1)CC(C)C ZINC000539172822 871460203 /nfs/dbraw/zinc/46/02/03/871460203.db2.gz MWTPTCHKJSEFEU-FQEVSTJZSA-N 2 1 380.621 3.508 20 0 GHADMP CC(C)c1nccn1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462018152 871469391 /nfs/dbraw/zinc/46/93/91/871469391.db2.gz ZSEGOJMWIUPGOS-UHFFFAOYSA-N 2 1 382.552 3.564 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000462018152 871469402 /nfs/dbraw/zinc/46/94/02/871469402.db2.gz ZSEGOJMWIUPGOS-UHFFFAOYSA-N 2 1 382.552 3.564 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462018152 871469413 /nfs/dbraw/zinc/46/94/13/871469413.db2.gz ZSEGOJMWIUPGOS-UHFFFAOYSA-N 2 1 382.552 3.564 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOc3ccc4c(c3)OCO4)C2)s1 ZINC001194152716 871513528 /nfs/dbraw/zinc/51/35/28/871513528.db2.gz GISJOVKTRWOJGT-QGZVFWFLSA-N 2 1 388.533 3.618 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOc3ccc4c(c3)OCO4)C2)s1 ZINC001194152716 871513533 /nfs/dbraw/zinc/51/35/33/871513533.db2.gz GISJOVKTRWOJGT-QGZVFWFLSA-N 2 1 388.533 3.618 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOc3ccc4c(c3)OCO4)C2)s1 ZINC001194152716 871513538 /nfs/dbraw/zinc/51/35/38/871513538.db2.gz GISJOVKTRWOJGT-QGZVFWFLSA-N 2 1 388.533 3.618 20 0 GHADMP CN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC001169507840 871571615 /nfs/dbraw/zinc/57/16/15/871571615.db2.gz SPXCLABZQLDDIF-HSZRJFAPSA-N 2 1 387.612 3.864 20 0 GHADMP [NH3+]C1(c2ccc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2)CCC1 ZINC001169518805 871589025 /nfs/dbraw/zinc/58/90/25/871589025.db2.gz KNJWDZOJBUUYPG-UGKGYDQZSA-N 2 1 393.531 3.896 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001169539930 871617535 /nfs/dbraw/zinc/61/75/35/871617535.db2.gz KZNYRFQTRNWBFD-PGRDOPGGSA-N 2 1 390.531 3.931 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)cc1 ZINC000539362440 871831925 /nfs/dbraw/zinc/83/19/25/871831925.db2.gz QRQDIXWCPCCMMQ-GCJKJVERSA-N 2 1 379.504 3.888 20 0 GHADMP COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001194701341 871872316 /nfs/dbraw/zinc/87/23/16/871872316.db2.gz OAEHFZFWCWDYMI-RUZDIDTESA-N 2 1 392.543 3.989 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC001169781730 871873845 /nfs/dbraw/zinc/87/38/45/871873845.db2.gz URYSQHOCKVOYIU-WOJBJXKFSA-N 2 1 397.607 3.939 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000775620166 872015318 /nfs/dbraw/zinc/01/53/18/872015318.db2.gz BPBOBOUDTSINEO-NHCUHLMSSA-N 2 1 387.568 3.995 20 0 GHADMP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732488 872219854 /nfs/dbraw/zinc/21/98/54/872219854.db2.gz PMPJBMBJNSIBJD-SIKLNZKXSA-N 2 1 381.520 3.585 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C2)CC1 ZINC000447738796 872228259 /nfs/dbraw/zinc/22/82/59/872228259.db2.gz WIBSKULJLQOPOA-NRFANRHFSA-N 2 1 383.511 3.830 20 0 GHADMP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000093597546 872285863 /nfs/dbraw/zinc/28/58/63/872285863.db2.gz QYJLOOPHYHRYPK-FQEVSTJZSA-N 2 1 387.531 3.852 20 0 GHADMP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000093597546 872285876 /nfs/dbraw/zinc/28/58/76/872285876.db2.gz QYJLOOPHYHRYPK-FQEVSTJZSA-N 2 1 387.531 3.852 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552243543 872298715 /nfs/dbraw/zinc/29/87/15/872298715.db2.gz BGBBQEGMFCSPKM-VHDGCEQUSA-N 2 1 376.854 3.628 20 0 GHADMP CC(C)c1ccc(SCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000619176614 872394244 /nfs/dbraw/zinc/39/42/44/872394244.db2.gz GTQXJCWOBPPVJT-UHFFFAOYSA-N 2 1 384.549 3.688 20 0 GHADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(C)(C)C ZINC000463900143 872819915 /nfs/dbraw/zinc/81/99/15/872819915.db2.gz ZWZMEWKUGIKOCN-QZTJIDSGSA-N 2 1 397.510 3.739 20 0 GHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262219164 873057601 /nfs/dbraw/zinc/05/76/01/873057601.db2.gz MOKDERKTHGHINN-LBTNJELSSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000508607124 873083703 /nfs/dbraw/zinc/08/37/03/873083703.db2.gz XGOVVVLFYKNMTM-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1(F)F ZINC001196563186 873176157 /nfs/dbraw/zinc/17/61/57/873176157.db2.gz LIHYZYYOUUJSRO-IBGZPJMESA-N 2 1 380.479 3.693 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1(F)F ZINC001196563186 873176163 /nfs/dbraw/zinc/17/61/63/873176163.db2.gz LIHYZYYOUUJSRO-IBGZPJMESA-N 2 1 380.479 3.693 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)C[C@H](C)O1 ZINC000541223318 873186925 /nfs/dbraw/zinc/18/69/25/873186925.db2.gz FWHLPPUYYDMWNZ-HOTGVXAUSA-N 2 1 378.944 3.596 20 0 GHADMP CCC(CC)[N@@H+](CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)C1CC1 ZINC000794325584 882696850 /nfs/dbraw/zinc/69/68/50/882696850.db2.gz AZGKQLYKJULMDU-UHFFFAOYSA-N 2 1 378.586 3.967 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183099899 873230143 /nfs/dbraw/zinc/23/01/43/873230143.db2.gz IWOQUABQHVTPOL-FHWLQOOXSA-N 2 1 379.589 3.876 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1)C1CC1 ZINC000448448727 873399605 /nfs/dbraw/zinc/39/96/05/873399605.db2.gz NYKRBPDSRNCKCL-REWPJTCUSA-N 2 1 381.564 3.760 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1)C1CC1 ZINC000448448727 873399615 /nfs/dbraw/zinc/39/96/15/873399615.db2.gz NYKRBPDSRNCKCL-REWPJTCUSA-N 2 1 381.564 3.760 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)C1CC1 ZINC000448448727 873399628 /nfs/dbraw/zinc/39/96/28/873399628.db2.gz NYKRBPDSRNCKCL-REWPJTCUSA-N 2 1 381.564 3.760 20 0 GHADMP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000768680421 873452490 /nfs/dbraw/zinc/45/24/90/873452490.db2.gz ZHMBVQNPFIMOAZ-HSALFYBXSA-N 2 1 397.604 3.503 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000541384686 873488234 /nfs/dbraw/zinc/48/82/34/873488234.db2.gz ZYRSSFRUHUZQON-KNQAVFIVSA-N 3 1 389.547 3.966 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000541384686 873488242 /nfs/dbraw/zinc/48/82/42/873488242.db2.gz ZYRSSFRUHUZQON-KNQAVFIVSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000541384686 873488253 /nfs/dbraw/zinc/48/82/53/873488253.db2.gz ZYRSSFRUHUZQON-KNQAVFIVSA-N 2 1 389.547 3.966 20 0 GHADMP CN(c1ccccc1CNC[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000527752554 873558371 /nfs/dbraw/zinc/55/83/71/873558371.db2.gz OIIUGEKEOZDSIV-QHCPKHFHSA-N 2 1 384.612 3.714 20 0 GHADMP CN(c1ccccc1CNC[C@@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000527752554 873558377 /nfs/dbraw/zinc/55/83/77/873558377.db2.gz OIIUGEKEOZDSIV-QHCPKHFHSA-N 2 1 384.612 3.714 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000541431267 873566730 /nfs/dbraw/zinc/56/67/30/873566730.db2.gz LYOBQXONAKKISB-FQEVSTJZSA-N 2 1 398.595 3.970 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000541431267 873566736 /nfs/dbraw/zinc/56/67/36/873566736.db2.gz LYOBQXONAKKISB-FQEVSTJZSA-N 2 1 398.595 3.970 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]C/C=C/c2ccccc2)c1)C1CCOCC1 ZINC000102781477 873580914 /nfs/dbraw/zinc/58/09/14/873580914.db2.gz NPOBTXJKMROXME-UXBLZVDNSA-N 2 1 380.532 3.979 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccnn1-c1ccccc1 ZINC000467378161 882752875 /nfs/dbraw/zinc/75/28/75/882752875.db2.gz QUUBKBOALUNBIR-WOJBJXKFSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccnn1-c1ccccc1 ZINC000467378161 882752883 /nfs/dbraw/zinc/75/28/83/882752883.db2.gz QUUBKBOALUNBIR-WOJBJXKFSA-N 2 1 390.531 3.944 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCN1c2ccccc2OCC1=O ZINC000237130226 882757250 /nfs/dbraw/zinc/75/72/50/882757250.db2.gz KEXRHIIQKFODDD-UHFFFAOYSA-N 2 1 395.547 3.550 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149223 873849326 /nfs/dbraw/zinc/84/93/26/873849326.db2.gz ZBISISUMQIGQDT-UFYCRDLUSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149223 873849335 /nfs/dbraw/zinc/84/93/35/873849335.db2.gz ZBISISUMQIGQDT-UFYCRDLUSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149223 873849346 /nfs/dbraw/zinc/84/93/46/873849346.db2.gz ZBISISUMQIGQDT-UFYCRDLUSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149223 873849354 /nfs/dbraw/zinc/84/93/54/873849354.db2.gz ZBISISUMQIGQDT-UFYCRDLUSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149223 873849363 /nfs/dbraw/zinc/84/93/63/873849363.db2.gz ZBISISUMQIGQDT-UFYCRDLUSA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)nn(C)c2OCC(F)(F)F)CC1 ZINC000134174007 882768583 /nfs/dbraw/zinc/76/85/83/882768583.db2.gz OYXSXKAFCXRJBK-UHFFFAOYSA-N 2 1 390.494 3.614 20 0 GHADMP CC1(C)CC([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC(C)(C)N1O ZINC001170001548 873896064 /nfs/dbraw/zinc/89/60/64/873896064.db2.gz JXJJUYDHLUJEFT-UHFFFAOYSA-N 2 1 386.584 3.780 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(O)c2OC)CC1 ZINC000494663723 882774394 /nfs/dbraw/zinc/77/43/94/882774394.db2.gz HTXGDOALGPWAJJ-INIZCTEOSA-N 2 1 387.499 3.533 20 0 GHADMP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc2ccccc21 ZINC000449059963 874398087 /nfs/dbraw/zinc/39/80/87/874398087.db2.gz DMCMZTUBXYFEMJ-UHFFFAOYSA-N 2 1 376.500 3.970 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(OC4CCCC4)CC3)cc2)CC1 ZINC000449084857 874437604 /nfs/dbraw/zinc/43/76/04/874437604.db2.gz ZHCLWQUBYCMYIP-UHFFFAOYSA-N 2 1 385.596 3.794 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccc(F)c2Br)cc1 ZINC000449086510 874438950 /nfs/dbraw/zinc/43/89/50/874438950.db2.gz BWNKLHWKNHOARJ-UHFFFAOYSA-N 2 1 381.289 3.818 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000449070756 874448888 /nfs/dbraw/zinc/44/88/88/874448888.db2.gz FIVDBTXRXAKBMX-IBGZPJMESA-N 2 1 379.548 3.574 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)OCCCCO4)c2)CCO1 ZINC000449098903 874471299 /nfs/dbraw/zinc/47/12/99/874471299.db2.gz RUZHZGAOSAYLPM-LJQANCHMSA-N 2 1 396.531 3.749 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)OCCCCO4)c2)CCO1 ZINC000449098903 874471308 /nfs/dbraw/zinc/47/13/08/874471308.db2.gz RUZHZGAOSAYLPM-LJQANCHMSA-N 2 1 396.531 3.749 20 0 GHADMP Cc1cccc(CC[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000449117946 874502123 /nfs/dbraw/zinc/50/21/23/874502123.db2.gz QRPJNCWCFQXDOM-UHFFFAOYSA-N 2 1 382.548 3.817 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528442626 874581597 /nfs/dbraw/zinc/58/15/97/874581597.db2.gz WRKPUJAVOJHCOJ-QMTMVMCOSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000528442626 874581602 /nfs/dbraw/zinc/58/16/02/874581602.db2.gz WRKPUJAVOJHCOJ-QMTMVMCOSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccco2)C1 ZINC000464858450 874657584 /nfs/dbraw/zinc/65/75/84/874657584.db2.gz WJPPXJNEYGJZPY-UGKGYDQZSA-N 2 1 395.547 3.965 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccco2)C1 ZINC000464858450 874657587 /nfs/dbraw/zinc/65/75/87/874657587.db2.gz WJPPXJNEYGJZPY-UGKGYDQZSA-N 2 1 395.547 3.965 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC001199329278 874928579 /nfs/dbraw/zinc/92/85/79/874928579.db2.gz PMSDOVLVOWHVFZ-HUUCEWRRSA-N 2 1 397.357 3.678 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449560005 875047393 /nfs/dbraw/zinc/04/73/93/875047393.db2.gz DXMWWOSVLOWJCN-JLYLLQBASA-N 2 1 389.341 3.658 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560005 875047405 /nfs/dbraw/zinc/04/74/05/875047405.db2.gz DXMWWOSVLOWJCN-JLYLLQBASA-N 2 1 389.341 3.658 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000449623050 875141277 /nfs/dbraw/zinc/14/12/77/875141277.db2.gz KYRABKHWFKVNAX-GOEBONIOSA-N 2 1 377.579 3.981 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000449623050 875141293 /nfs/dbraw/zinc/14/12/93/875141293.db2.gz KYRABKHWFKVNAX-GOEBONIOSA-N 2 1 377.579 3.981 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)nc1C ZINC000303185087 875204020 /nfs/dbraw/zinc/20/40/20/875204020.db2.gz YCNZIBGDIPUVFA-OAQYLSRUSA-N 2 1 394.563 3.545 20 0 GHADMP C[C@@H]1CCCN(Cc2csc(NC(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)n2)C1 ZINC000528879041 875206649 /nfs/dbraw/zinc/20/66/49/875206649.db2.gz VIJJRXFEULGFAA-QAPCUYQASA-N 2 1 391.585 3.513 20 0 GHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001201485958 875715207 /nfs/dbraw/zinc/71/52/07/875715207.db2.gz FIQVRBWKTBLBLL-YTFSRNRJSA-N 2 1 377.617 3.630 20 0 GHADMP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001201485958 875715214 /nfs/dbraw/zinc/71/52/14/875715214.db2.gz FIQVRBWKTBLBLL-YTFSRNRJSA-N 2 1 377.617 3.630 20 0 GHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001201485958 875715221 /nfs/dbraw/zinc/71/52/21/875715221.db2.gz FIQVRBWKTBLBLL-YTFSRNRJSA-N 2 1 377.617 3.630 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001201490363 875718889 /nfs/dbraw/zinc/71/88/89/875718889.db2.gz CKBLUCVGZKBFNQ-PZJWPPBQSA-N 2 1 396.579 3.704 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000192606959 882966887 /nfs/dbraw/zinc/96/68/87/882966887.db2.gz NMDYQJSOFGAACT-QFBILLFUSA-N 2 1 381.545 3.743 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000192606959 882966908 /nfs/dbraw/zinc/96/69/08/882966908.db2.gz NMDYQJSOFGAACT-QFBILLFUSA-N 2 1 381.545 3.743 20 0 GHADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000303623845 875881266 /nfs/dbraw/zinc/88/12/66/875881266.db2.gz PTROUUOLWFPBKK-IBGZPJMESA-N 2 1 395.469 3.619 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173410756 876371094 /nfs/dbraw/zinc/37/10/94/876371094.db2.gz JUTFZMCRPQVGQN-JOCHJYFZSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C3CCC3)C3CCC3)CC2)CC1 ZINC000529614583 876396692 /nfs/dbraw/zinc/39/66/92/876396692.db2.gz STEFWZARPFMJHI-UHFFFAOYSA-N 2 1 375.601 3.515 20 0 GHADMP CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)(c2ccccc2)CC1 ZINC000529717179 876578725 /nfs/dbraw/zinc/57/87/25/876578725.db2.gz NWAYOHDMHGSSGE-QFIPXVFZSA-N 2 1 383.580 3.563 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c1)C[C@@H]1CCC[C@@H]1O ZINC000450623140 876670253 /nfs/dbraw/zinc/67/02/53/876670253.db2.gz PEBRFLVJYHPVHM-BLKABHOGSA-N 2 1 394.987 3.526 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1)C[C@@H]1CCC[C@H]1O ZINC000450623140 876670263 /nfs/dbraw/zinc/67/02/63/876670263.db2.gz PEBRFLVJYHPVHM-BLKABHOGSA-N 2 1 394.987 3.526 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1)C[C@@H]1CCC[C@H]1O ZINC000450623140 876670270 /nfs/dbraw/zinc/67/02/70/876670270.db2.gz PEBRFLVJYHPVHM-BLKABHOGSA-N 2 1 394.987 3.526 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccn(CC(F)(F)F)n1 ZINC000450650233 876731139 /nfs/dbraw/zinc/73/11/39/876731139.db2.gz JVVYKDAAURJMNY-UHFFFAOYSA-N 2 1 381.446 3.579 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000850402013 876882838 /nfs/dbraw/zinc/88/28/38/876882838.db2.gz DBPPNVASVBIUDC-SFHVURJKSA-N 2 1 399.560 3.580 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000850402013 876882847 /nfs/dbraw/zinc/88/28/47/876882847.db2.gz DBPPNVASVBIUDC-SFHVURJKSA-N 2 1 399.560 3.580 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850414486 876894665 /nfs/dbraw/zinc/89/46/65/876894665.db2.gz PCWDXUVASZSAPI-DENIHFKCSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850414486 876894673 /nfs/dbraw/zinc/89/46/73/876894673.db2.gz PCWDXUVASZSAPI-DENIHFKCSA-N 2 1 392.547 3.749 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)c2)CC1 ZINC000537669257 883077481 /nfs/dbraw/zinc/07/74/81/883077481.db2.gz FQQKNDLICOLRAU-NRFANRHFSA-N 2 1 398.551 3.978 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000850438810 876921712 /nfs/dbraw/zinc/92/17/12/876921712.db2.gz WWBYJMUYWNXHKU-RMFNQSEZSA-N 2 1 379.570 3.778 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000850438810 876921720 /nfs/dbraw/zinc/92/17/20/876921720.db2.gz WWBYJMUYWNXHKU-RMFNQSEZSA-N 2 1 379.570 3.778 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000850438801 876922280 /nfs/dbraw/zinc/92/22/80/876922280.db2.gz WWBYJMUYWNXHKU-JIZBTBOESA-N 2 1 379.570 3.778 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000850438801 876922295 /nfs/dbraw/zinc/92/22/95/876922295.db2.gz WWBYJMUYWNXHKU-JIZBTBOESA-N 2 1 379.570 3.778 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000850446643 876930316 /nfs/dbraw/zinc/93/03/16/876930316.db2.gz AWBDISDNJCHJHQ-UBHSMVFVSA-N 2 1 387.568 3.934 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001129679748 883089498 /nfs/dbraw/zinc/08/94/98/883089498.db2.gz QOYFGFUEHOPXMI-KMDXXIMOSA-N 2 1 397.607 3.866 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001129679748 883089519 /nfs/dbraw/zinc/08/95/19/883089519.db2.gz QOYFGFUEHOPXMI-KMDXXIMOSA-N 2 1 397.607 3.866 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001129679748 883089538 /nfs/dbraw/zinc/08/95/38/883089538.db2.gz QOYFGFUEHOPXMI-KMDXXIMOSA-N 2 1 397.607 3.866 20 0 GHADMP C(=C/c1ccccc1)\CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450980263 877178594 /nfs/dbraw/zinc/17/85/94/877178594.db2.gz DYGTZERSZDDIGR-XIHLAWMYSA-N 2 1 375.560 3.982 20 0 GHADMP FC1(F)CCCC[C@@H]1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450982535 877188687 /nfs/dbraw/zinc/18/86/87/877188687.db2.gz LVEBUEMFJKLQEC-NHCUHLMSSA-N 2 1 377.523 3.704 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CCC(C)C)CC1 ZINC001168126595 877281884 /nfs/dbraw/zinc/28/18/84/877281884.db2.gz RGUFMWSSRHCQQV-HSZRJFAPSA-N 2 1 385.596 3.976 20 0 GHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218319 877303511 /nfs/dbraw/zinc/30/35/11/877303511.db2.gz VXVULPYREBSZPX-ABAIWWIYSA-N 2 1 389.849 3.950 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1)c1ccccc1 ZINC000174891651 877312170 /nfs/dbraw/zinc/31/21/70/877312170.db2.gz JLIGQRSDIBUITL-IRFCIJBXSA-N 2 1 386.584 3.774 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666996834 877427894 /nfs/dbraw/zinc/42/78/94/877427894.db2.gz HUNAVJGZEXRPIY-LBPRGKRZSA-N 2 1 375.257 3.815 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000121729750 877690184 /nfs/dbraw/zinc/69/01/84/877690184.db2.gz WBEZMUYLACYSQG-MRXNPFEDSA-N 2 1 383.540 3.804 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000551722883 877715525 /nfs/dbraw/zinc/71/55/25/877715525.db2.gz RSCWFVUBULRQKG-LWSSLDFYSA-N 2 1 384.564 3.973 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175506904 877741668 /nfs/dbraw/zinc/74/16/68/877741668.db2.gz JHOGWIWBRRQLLJ-QUCCMNQESA-N 2 1 392.613 3.552 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000551777961 877793393 /nfs/dbraw/zinc/79/33/93/877793393.db2.gz XSLIAXXMPZVCFL-CMIZEVDMSA-N 2 1 380.532 3.544 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000615622004 877930731 /nfs/dbraw/zinc/93/07/31/877930731.db2.gz SPGJMMYDQCYMCZ-QFIPXVFZSA-N 2 1 388.600 3.831 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000788240276 877939385 /nfs/dbraw/zinc/93/93/85/877939385.db2.gz JHNHFLJSHSDFCR-IYWMVGAKSA-N 2 1 397.604 3.691 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccc(Cl)nc1 ZINC000851882277 877958818 /nfs/dbraw/zinc/95/88/18/877958818.db2.gz XTPHIYQXEVCZJY-UHFFFAOYSA-N 2 1 398.938 3.662 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc(Cl)nc1 ZINC000851882277 877958824 /nfs/dbraw/zinc/95/88/24/877958824.db2.gz XTPHIYQXEVCZJY-UHFFFAOYSA-N 2 1 398.938 3.662 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)oc1C ZINC000530545570 878030660 /nfs/dbraw/zinc/03/06/60/878030660.db2.gz IQNJZGNECDWVJQ-QHAWAJNXSA-N 2 1 375.557 3.688 20 0 GHADMP CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000176009714 878035210 /nfs/dbraw/zinc/03/52/10/878035210.db2.gz AIDOWAMHQIAURA-HSZRJFAPSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000176084431 878070813 /nfs/dbraw/zinc/07/08/13/878070813.db2.gz ZKDDUWHRLRLLBL-UHFFFAOYSA-N 2 1 397.567 3.847 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000530581408 878097075 /nfs/dbraw/zinc/09/70/75/878097075.db2.gz OXUWPARVKQWGGG-OLMNPRSZSA-N 2 1 385.474 3.687 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000615893827 878229910 /nfs/dbraw/zinc/22/99/10/878229910.db2.gz DCMRANVLDNZENA-GMAHTHKFSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000615893827 878229923 /nfs/dbraw/zinc/22/99/23/878229923.db2.gz DCMRANVLDNZENA-GMAHTHKFSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000615893827 878229934 /nfs/dbraw/zinc/22/99/34/878229934.db2.gz DCMRANVLDNZENA-GMAHTHKFSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000530701677 878344363 /nfs/dbraw/zinc/34/43/63/878344363.db2.gz QIPQIQUPGIWOSN-PMACEKPBSA-N 2 1 382.552 3.584 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001183186982 912337923 /nfs/dbraw/zinc/33/79/23/912337923.db2.gz CRWOEVDSAXIAKX-ZVDOUQERSA-N 2 1 385.552 3.954 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Nc2ccc(N4CCOCC4)cn2)C3)cc1 ZINC000245695063 878405364 /nfs/dbraw/zinc/40/53/64/878405364.db2.gz KYKBSHDVKUIRHO-WKCHPHFGSA-N 2 1 378.520 3.526 20 0 GHADMP C[C@H](CCNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000746774538 878428473 /nfs/dbraw/zinc/42/84/73/878428473.db2.gz PRFDFBIAUJEAQB-HXUWFJFHSA-N 2 1 396.579 3.800 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000177061736 878543087 /nfs/dbraw/zinc/54/30/87/878543087.db2.gz OXNRBAOTQFWGBM-KMRPREKFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000177061736 878543102 /nfs/dbraw/zinc/54/31/02/878543102.db2.gz OXNRBAOTQFWGBM-KMRPREKFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000177061736 878543114 /nfs/dbraw/zinc/54/31/14/878543114.db2.gz OXNRBAOTQFWGBM-KMRPREKFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000177061736 878543131 /nfs/dbraw/zinc/54/31/31/878543131.db2.gz OXNRBAOTQFWGBM-KMRPREKFSA-N 2 1 396.575 3.876 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245779762 878587990 /nfs/dbraw/zinc/58/79/90/878587990.db2.gz YRASGOSXZZIXIR-YCAMKHIRSA-N 2 1 395.591 3.953 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000537976680 878612471 /nfs/dbraw/zinc/61/24/71/878612471.db2.gz GGMDLWRYIUXGDS-NFBKMPQASA-N 2 1 391.559 3.856 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000537976680 878612477 /nfs/dbraw/zinc/61/24/77/878612477.db2.gz GGMDLWRYIUXGDS-NFBKMPQASA-N 2 1 391.559 3.856 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000852976380 878703887 /nfs/dbraw/zinc/70/38/87/878703887.db2.gz VDGHXDKPUNFLSR-LEWJYISDSA-N 2 1 382.548 3.705 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)c(F)c1 ZINC000616267229 878733350 /nfs/dbraw/zinc/73/33/50/878733350.db2.gz HJTUFASDRVZKBL-UHFFFAOYSA-N 2 1 380.467 3.609 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)c(F)c1 ZINC000616267229 878733366 /nfs/dbraw/zinc/73/33/66/878733366.db2.gz HJTUFASDRVZKBL-UHFFFAOYSA-N 2 1 380.467 3.609 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000238122428 878780390 /nfs/dbraw/zinc/78/03/90/878780390.db2.gz RWYDVRGZUDEOFE-HXUWFJFHSA-N 2 1 378.438 3.993 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000177677991 878810817 /nfs/dbraw/zinc/81/08/17/878810817.db2.gz DPWMUYOEBVWSEP-NRFANRHFSA-N 2 1 383.580 3.730 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000538120877 878843096 /nfs/dbraw/zinc/84/30/96/878843096.db2.gz NSKZKPLYGFTVOU-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)C[C@H]1C ZINC000538197190 879018969 /nfs/dbraw/zinc/01/89/69/879018969.db2.gz KTROTKGUTTXCAS-OYRHEFFESA-N 3 1 399.623 3.660 20 0 GHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]C3CCN(CC4CC4)CC3)cc2)C[C@H]1C ZINC000538197190 879018987 /nfs/dbraw/zinc/01/89/87/879018987.db2.gz KTROTKGUTTXCAS-OYRHEFFESA-N 2 1 399.623 3.660 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3CCN(CC4CC4)CC3)cc2)C[C@H]1C ZINC000538197190 879019007 /nfs/dbraw/zinc/01/90/07/879019007.db2.gz KTROTKGUTTXCAS-OYRHEFFESA-N 2 1 399.623 3.660 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246137768 879040499 /nfs/dbraw/zinc/04/04/99/879040499.db2.gz JHOGWIWBRRQLLJ-AZUAARDMSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178411426 879109811 /nfs/dbraw/zinc/10/98/11/879109811.db2.gz NPYMLDVXYXYZKI-SFHVURJKSA-N 2 1 378.582 3.930 20 0 GHADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CCC3)cc1 ZINC000178520824 879137485 /nfs/dbraw/zinc/13/74/85/879137485.db2.gz FIUMSYWULFNRHX-LJQANCHMSA-N 2 1 385.577 3.932 20 0 GHADMP CCN(CC)Cc1csc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000746838020 879149077 /nfs/dbraw/zinc/14/90/77/879149077.db2.gz XGFTXIHJBKVEOX-GOSISDBHSA-N 2 1 386.565 3.836 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000452449666 879459610 /nfs/dbraw/zinc/45/96/10/879459610.db2.gz CUXSSXXAPKNMLP-VJBMBRPKSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000667082611 879510651 /nfs/dbraw/zinc/51/06/51/879510651.db2.gz JLXYLTJUEPDPKH-LBPRGKRZSA-N 2 1 399.511 3.627 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000667082611 879510660 /nfs/dbraw/zinc/51/06/60/879510660.db2.gz JLXYLTJUEPDPKH-LBPRGKRZSA-N 2 1 399.511 3.627 20 0 GHADMP C[C@@H]([N@@H+](Cc1ccccc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)(C)C ZINC000790386003 879657454 /nfs/dbraw/zinc/65/74/54/879657454.db2.gz OWPNIUUSYKPRBS-WZONZLPQSA-N 2 1 385.552 3.797 20 0 GHADMP C[C@@H]([N@H+](Cc1ccccc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)(C)C ZINC000790386003 879657463 /nfs/dbraw/zinc/65/74/63/879657463.db2.gz OWPNIUUSYKPRBS-WZONZLPQSA-N 2 1 385.552 3.797 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000854250631 879660631 /nfs/dbraw/zinc/66/06/31/879660631.db2.gz DVVOAWRRUBWVNT-HNNXBMFYSA-N 2 1 396.626 3.559 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C2SCCS2)c1 ZINC000854250631 879660641 /nfs/dbraw/zinc/66/06/41/879660641.db2.gz DVVOAWRRUBWVNT-HNNXBMFYSA-N 2 1 396.626 3.559 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246534531 879662316 /nfs/dbraw/zinc/66/23/16/879662316.db2.gz XZTNXRWXMRBUDW-AZUAARDMSA-N 2 1 392.613 3.552 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378328 879690866 /nfs/dbraw/zinc/69/08/66/879690866.db2.gz BFCKNAXZCMUBCE-SLFFLAALSA-N 2 1 379.548 3.960 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378328 879690872 /nfs/dbraw/zinc/69/08/72/879690872.db2.gz BFCKNAXZCMUBCE-SLFFLAALSA-N 2 1 379.548 3.960 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378328 879690878 /nfs/dbraw/zinc/69/08/78/879690878.db2.gz BFCKNAXZCMUBCE-SLFFLAALSA-N 2 1 379.548 3.960 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cc(NC(=O)C[NH+]2CCCC[C@@H]2C)ccc1F ZINC000538546073 879692515 /nfs/dbraw/zinc/69/25/15/879692515.db2.gz MQJDVBNEWLHXNR-AXVVYFOYSA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000538546073 879692521 /nfs/dbraw/zinc/69/25/21/879692521.db2.gz MQJDVBNEWLHXNR-AXVVYFOYSA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000538546073 879692527 /nfs/dbraw/zinc/69/25/27/879692527.db2.gz MQJDVBNEWLHXNR-AXVVYFOYSA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1Cl ZINC000246610691 879719536 /nfs/dbraw/zinc/71/95/36/879719536.db2.gz RTLGNYLQVVZNNZ-VQIMIIECSA-N 2 1 385.939 3.888 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000493966372 879783154 /nfs/dbraw/zinc/78/31/54/879783154.db2.gz AEMRLFKNLMQCMB-RDPSFJRHSA-N 2 1 381.564 3.690 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)C[C@H](C)O1 ZINC000790529576 879796751 /nfs/dbraw/zinc/79/67/51/879796751.db2.gz LVBDXFFSBOYYGU-HDICACEKSA-N 2 1 390.959 3.564 20 0 GHADMP COc1cc(OC)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000246874584 879836761 /nfs/dbraw/zinc/83/67/61/879836761.db2.gz CUEKLKUCJYMSGH-OWCLPIDISA-N 2 1 384.948 3.897 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000531443996 879865238 /nfs/dbraw/zinc/86/52/38/879865238.db2.gz ZYWFFOQHLHIRNW-LEWJYISDSA-N 2 1 398.595 3.719 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247001244 879877649 /nfs/dbraw/zinc/87/76/49/879877649.db2.gz LXOJPEVSTKJJDT-UXHICEINSA-N 2 1 386.584 3.632 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247012995 879882120 /nfs/dbraw/zinc/88/21/20/879882120.db2.gz XNQAWFCFEKKWGG-NZQKXSOJSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247012995 879882138 /nfs/dbraw/zinc/88/21/38/879882138.db2.gz XNQAWFCFEKKWGG-NZQKXSOJSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247012995 879882155 /nfs/dbraw/zinc/88/21/55/879882155.db2.gz XNQAWFCFEKKWGG-NZQKXSOJSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247012995 879882174 /nfs/dbraw/zinc/88/21/74/879882174.db2.gz XNQAWFCFEKKWGG-NZQKXSOJSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000461464919 879882808 /nfs/dbraw/zinc/88/28/08/879882808.db2.gz DAGYTQQLCBXPCX-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000461464919 879882819 /nfs/dbraw/zinc/88/28/19/879882819.db2.gz DAGYTQQLCBXPCX-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000461464919 879882835 /nfs/dbraw/zinc/88/28/35/879882835.db2.gz DAGYTQQLCBXPCX-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247029057 879891825 /nfs/dbraw/zinc/89/18/25/879891825.db2.gz MQULVOCXBMJMEM-NMMYMHLASA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000247029057 879891835 /nfs/dbraw/zinc/89/18/35/879891835.db2.gz MQULVOCXBMJMEM-NMMYMHLASA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000247029057 879891844 /nfs/dbraw/zinc/89/18/44/879891844.db2.gz MQULVOCXBMJMEM-NMMYMHLASA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000247029057 879891855 /nfs/dbraw/zinc/89/18/55/879891855.db2.gz MQULVOCXBMJMEM-NMMYMHLASA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000247029057 879891863 /nfs/dbraw/zinc/89/18/63/879891863.db2.gz MQULVOCXBMJMEM-NMMYMHLASA-N 2 1 391.559 3.603 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285940591 912507808 /nfs/dbraw/zinc/50/78/08/912507808.db2.gz DKUIQIJZQRONJD-ABSDTBQOSA-N 2 1 379.504 3.579 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000247121246 879923664 /nfs/dbraw/zinc/92/36/64/879923664.db2.gz PRNZMHSCZBMRCD-OIBXWCBGSA-N 2 1 379.548 3.801 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000247121246 879923677 /nfs/dbraw/zinc/92/36/77/879923677.db2.gz PRNZMHSCZBMRCD-OIBXWCBGSA-N 2 1 379.548 3.801 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247150375 879931234 /nfs/dbraw/zinc/93/12/34/879931234.db2.gz RMJUSDNPWNFIKY-DPLHUUCSSA-N 2 1 380.580 3.792 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000123159039 880023713 /nfs/dbraw/zinc/02/37/13/880023713.db2.gz XDQLXUPEBVNLDG-RXVVDRJESA-N 2 1 395.551 3.902 20 0 GHADMP CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)CC1CCN(c2ccccn2)CC1 ZINC000247553457 880024039 /nfs/dbraw/zinc/02/40/39/880024039.db2.gz QDBKZOCRVWAACE-FGZHOGPDSA-N 2 1 398.595 3.801 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000123348021 880289904 /nfs/dbraw/zinc/28/99/04/880289904.db2.gz NKXBIRNAXPTGQA-KRWDZBQOSA-N 2 1 383.540 3.758 20 0 GHADMP C[NH+](C)C1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCCCC1 ZINC000531692746 880348979 /nfs/dbraw/zinc/34/89/79/880348979.db2.gz XTNURZPAEWTCHK-UHFFFAOYSA-N 2 1 377.960 3.799 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(I)c1 ZINC000453066955 880389011 /nfs/dbraw/zinc/38/90/11/880389011.db2.gz IUZZQAADIGJNLD-NSHDSACASA-N 2 1 388.268 3.708 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3nnc4n3CCCCC4)[C@H]3CCC[C@@H]32)cc1 ZINC000453059057 880410891 /nfs/dbraw/zinc/41/08/91/880410891.db2.gz AMQGNLMYDQPJED-FSSWDIPSSA-N 2 1 393.579 3.580 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)[C@@H](C)C1 ZINC000453131560 880523900 /nfs/dbraw/zinc/52/39/00/880523900.db2.gz VLJCJDPLLMLRAO-ZJOUEHCJSA-N 2 1 384.568 3.875 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)[C@@H](C)C1 ZINC000453131560 880523903 /nfs/dbraw/zinc/52/39/03/880523903.db2.gz VLJCJDPLLMLRAO-ZJOUEHCJSA-N 2 1 384.568 3.875 20 0 GHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(I)c2)CC1 ZINC000453156289 880552046 /nfs/dbraw/zinc/55/20/46/880552046.db2.gz WSISXSBSWCSIQD-GFCCVEGCSA-N 2 1 390.284 3.954 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)n4ccnc43)cc2)C[C@H]1C ZINC000453164390 880562914 /nfs/dbraw/zinc/56/29/14/880562914.db2.gz NVVCUMCKQLLVFY-LMVRJCEZSA-N 2 1 382.552 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnc(C4CC4)nc3)[C@H]3CCC[C@@H]32)cc1 ZINC000453173369 880576950 /nfs/dbraw/zinc/57/69/50/880576950.db2.gz IPWKTDXFBYQFGC-VJBWXMMDSA-N 2 1 376.548 3.929 20 0 GHADMP CCSc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000185525915 880610056 /nfs/dbraw/zinc/61/00/56/880610056.db2.gz OWJKYYDTCLGFKP-NRFANRHFSA-N 2 1 397.588 3.786 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](n2ccnc2)C1 ZINC000643278667 912601258 /nfs/dbraw/zinc/60/12/58/912601258.db2.gz HGFHOHSGHAKFJU-FCHUYYIVSA-N 2 1 395.551 3.532 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c2cccs2)CC1 ZINC000531932475 880783761 /nfs/dbraw/zinc/78/37/61/880783761.db2.gz NFQOBHBDGXVUKO-RTBURBONSA-N 2 1 389.540 3.679 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000531932092 880784540 /nfs/dbraw/zinc/78/45/40/880784540.db2.gz NDFFPAUXDBEHHK-OXJNMPFZSA-N 2 1 390.572 3.593 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000186269879 880836990 /nfs/dbraw/zinc/83/69/90/880836990.db2.gz ZEIMGDRWXCGPIA-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)OCCOC1CC[NH+](C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000453378110 880865064 /nfs/dbraw/zinc/86/50/64/880865064.db2.gz VLPMCLOCCFNZLX-UHFFFAOYSA-N 2 1 392.559 3.739 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)cccc3Cl)CC2)C1=O ZINC001275207252 912618978 /nfs/dbraw/zinc/61/89/78/912618978.db2.gz PSTPPIAKUBSHRK-HXUWFJFHSA-N 2 1 398.378 3.760 20 0 GHADMP Brc1cncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000186611694 880933900 /nfs/dbraw/zinc/93/39/00/880933900.db2.gz KBELIGOYHUIIGZ-CQSZACIVSA-N 2 1 380.355 3.907 20 0 GHADMP Brc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000186611694 880933912 /nfs/dbraw/zinc/93/39/12/880933912.db2.gz KBELIGOYHUIIGZ-CQSZACIVSA-N 2 1 380.355 3.907 20 0 GHADMP CC(C)Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000532041491 880970427 /nfs/dbraw/zinc/97/04/27/880970427.db2.gz QJDPARMOVZFYOR-XMMPIXPASA-N 2 1 393.575 3.872 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000792286315 881014284 /nfs/dbraw/zinc/01/42/84/881014284.db2.gz OXRKATMWYXTZEX-CVDCTZTESA-N 2 1 394.563 3.581 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000119669646 881091522 /nfs/dbraw/zinc/09/15/22/881091522.db2.gz PAVAVEQUHHGXHW-YELKIJJVSA-N 2 1 398.595 3.602 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000120110825 881266658 /nfs/dbraw/zinc/26/66/58/881266658.db2.gz WLIVQTZTSJZBGQ-PWIZWCRZSA-N 2 1 394.991 3.705 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000460527548 883175212 /nfs/dbraw/zinc/17/52/12/883175212.db2.gz NYGONLASAUTTNC-JENIJYKNSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000460527548 883175220 /nfs/dbraw/zinc/17/52/20/883175220.db2.gz NYGONLASAUTTNC-JENIJYKNSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000460527548 883175227 /nfs/dbraw/zinc/17/52/27/883175227.db2.gz NYGONLASAUTTNC-JENIJYKNSA-N 2 1 380.602 3.551 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)n1CC(F)(F)F ZINC000123270785 883314092 /nfs/dbraw/zinc/31/40/92/883314092.db2.gz SVUORERNIWJGKC-UHFFFAOYSA-N 2 1 387.490 3.904 20 0 GHADMP COc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)c1 ZINC000760528472 883443272 /nfs/dbraw/zinc/44/32/72/883443272.db2.gz FZCORIHIEBEAGC-JOCHJYFZSA-N 2 1 399.579 3.557 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000195614974 883496505 /nfs/dbraw/zinc/49/65/05/883496505.db2.gz QRBFCUQQCOXMKX-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C(C)(C)O1 ZINC000551263754 883572053 /nfs/dbraw/zinc/57/20/53/883572053.db2.gz DNWWROCANQGSAR-SFTDATJTSA-N 2 1 386.580 3.851 20 0 GHADMP COC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000551265579 883574606 /nfs/dbraw/zinc/57/46/06/883574606.db2.gz WEKCNMKVMMDTED-BJKOFHAPSA-N 2 1 394.559 3.893 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000477027994 883587919 /nfs/dbraw/zinc/58/79/19/883587919.db2.gz LTBOMBVSUPTONW-QHCPKHFHSA-N 2 1 391.559 3.804 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000477027994 883587929 /nfs/dbraw/zinc/58/79/29/883587929.db2.gz LTBOMBVSUPTONW-QHCPKHFHSA-N 2 1 391.559 3.804 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000455888839 883588236 /nfs/dbraw/zinc/58/82/36/883588236.db2.gz XZFALAOHQCAWON-RBBKRZOGSA-N 2 1 378.520 3.632 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213998 883667386 /nfs/dbraw/zinc/66/73/86/883667386.db2.gz FDWJKFMPRRZITO-UHFFFAOYSA-N 2 1 389.927 3.789 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213998 883667399 /nfs/dbraw/zinc/66/73/99/883667399.db2.gz FDWJKFMPRRZITO-UHFFFAOYSA-N 2 1 389.927 3.789 20 0 GHADMP O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805874478 884164963 /nfs/dbraw/zinc/16/49/63/884164963.db2.gz FNPNVTWSGZPUJY-HSZRJFAPSA-N 2 1 378.516 3.716 20 0 GHADMP O[C@]1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000495039619 884418890 /nfs/dbraw/zinc/41/88/90/884418890.db2.gz CRWCWMUWFGEPMM-QDSKXPNFSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000495039619 884418893 /nfs/dbraw/zinc/41/88/93/884418893.db2.gz CRWCWMUWFGEPMM-QDSKXPNFSA-N 2 1 398.522 3.520 20 0 GHADMP Cc1nccn1CCC[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000130555833 884775144 /nfs/dbraw/zinc/77/51/44/884775144.db2.gz USQCRFIBGCVSEJ-QFIPXVFZSA-N 2 1 379.504 3.620 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000130555833 884775155 /nfs/dbraw/zinc/77/51/55/884775155.db2.gz USQCRFIBGCVSEJ-QFIPXVFZSA-N 2 1 379.504 3.620 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000130555833 884775168 /nfs/dbraw/zinc/77/51/68/884775168.db2.gz USQCRFIBGCVSEJ-QFIPXVFZSA-N 2 1 379.504 3.620 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000498566204 884856555 /nfs/dbraw/zinc/85/65/55/884856555.db2.gz BZGJRTZCUGBYMR-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP C[N@@H+](CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1)Cc1ccccc1 ZINC000061501091 885269236 /nfs/dbraw/zinc/26/92/36/885269236.db2.gz GMERCLNCDPQQSY-UHFFFAOYSA-N 2 1 394.563 3.604 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)cc1 ZINC000532460356 885540855 /nfs/dbraw/zinc/54/08/55/885540855.db2.gz ITQQKTXWSREDDE-IBGZPJMESA-N 2 1 382.552 3.866 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000550626876 885584634 /nfs/dbraw/zinc/58/46/34/885584634.db2.gz CPJXJGGSQCKFBF-PKTZIBPZSA-N 2 1 377.532 3.716 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000550626876 885584638 /nfs/dbraw/zinc/58/46/38/885584638.db2.gz CPJXJGGSQCKFBF-PKTZIBPZSA-N 2 1 377.532 3.716 20 0 GHADMP C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000556608825 885665343 /nfs/dbraw/zinc/66/53/43/885665343.db2.gz KARRPLMRCYYIHW-LJQANCHMSA-N 2 1 378.520 3.723 20 0 GHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550640757 885675011 /nfs/dbraw/zinc/67/50/11/885675011.db2.gz CFPCHWWWMMHLBZ-UPVQGACJSA-N 3 1 381.564 3.595 20 0 GHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550640757 885675020 /nfs/dbraw/zinc/67/50/20/885675020.db2.gz CFPCHWWWMMHLBZ-UPVQGACJSA-N 3 1 381.564 3.595 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)CC1)CC1CC1 ZINC000808175597 886068553 /nfs/dbraw/zinc/06/85/53/886068553.db2.gz SGKMPRCTUDRGOQ-JOCHJYFZSA-N 2 1 398.595 3.783 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)CC1)CC1CC1 ZINC000808175597 886068570 /nfs/dbraw/zinc/06/85/70/886068570.db2.gz SGKMPRCTUDRGOQ-JOCHJYFZSA-N 2 1 398.595 3.783 20 0 GHADMP C[C@H]1CC[N@@H+](C)CCN1c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC000498919941 886095717 /nfs/dbraw/zinc/09/57/17/886095717.db2.gz XIBHQFJDWXFSFD-INIZCTEOSA-N 2 1 395.576 3.950 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C1CCC(C)CC1)CC2 ZINC001168215422 886148578 /nfs/dbraw/zinc/14/85/78/886148578.db2.gz QEEYUZKCZKBZSD-KITAHSCOSA-N 2 1 378.601 3.795 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490191 886206096 /nfs/dbraw/zinc/20/60/96/886206096.db2.gz XZBUIGWEUSNTMH-SQMBMXPBSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490191 886206110 /nfs/dbraw/zinc/20/61/10/886206110.db2.gz XZBUIGWEUSNTMH-SQMBMXPBSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490191 886206127 /nfs/dbraw/zinc/20/61/27/886206127.db2.gz XZBUIGWEUSNTMH-SQMBMXPBSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490191 886206140 /nfs/dbraw/zinc/20/61/40/886206140.db2.gz XZBUIGWEUSNTMH-SQMBMXPBSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490191 886206155 /nfs/dbraw/zinc/20/61/55/886206155.db2.gz XZBUIGWEUSNTMH-SQMBMXPBSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000862252865 886257350 /nfs/dbraw/zinc/25/73/50/886257350.db2.gz IAFYSKKPLDNEST-KBAYOESNSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000862252865 886257366 /nfs/dbraw/zinc/25/73/66/886257366.db2.gz IAFYSKKPLDNEST-KBAYOESNSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000862252865 886257383 /nfs/dbraw/zinc/25/73/83/886257383.db2.gz IAFYSKKPLDNEST-KBAYOESNSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000862252865 886257402 /nfs/dbraw/zinc/25/74/02/886257402.db2.gz IAFYSKKPLDNEST-KBAYOESNSA-N 2 1 399.526 3.580 20 0 GHADMP c1cc(-c2ccncc2)n(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000762501341 886294787 /nfs/dbraw/zinc/29/47/87/886294787.db2.gz GBVITFVBZTTXAG-UHFFFAOYSA-N 2 1 387.531 3.891 20 0 GHADMP Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c2ccccc2)cc1 ZINC000118945367 886356398 /nfs/dbraw/zinc/35/63/98/886356398.db2.gz RIGPGJVUKFMKJJ-DQEYMECFSA-N 2 1 396.575 3.924 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000862482473 886400139 /nfs/dbraw/zinc/40/01/39/886400139.db2.gz ITHGMKPEQODHIW-RUZDIDTESA-N 2 1 393.575 3.701 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccccn1 ZINC000556869482 886419750 /nfs/dbraw/zinc/41/97/50/886419750.db2.gz IHSKGKHVOLBLEL-YPAWHYETSA-N 2 1 392.547 3.691 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000537619705 886752353 /nfs/dbraw/zinc/75/23/53/886752353.db2.gz HGWZTOQOAXIENW-NRFANRHFSA-N 2 1 385.596 4.000 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119577722 886764464 /nfs/dbraw/zinc/76/44/64/886764464.db2.gz DWKOQYXDNDAYEN-FPOVZHCZSA-N 2 1 388.600 3.516 20 0 GHADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170575095 887274597 /nfs/dbraw/zinc/27/45/97/887274597.db2.gz XILGHDCCLKPYKS-CRAIPNDOSA-N 2 1 384.442 3.601 20 0 GHADMP C[NH+](C)Cc1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000655757902 887455217 /nfs/dbraw/zinc/45/52/17/887455217.db2.gz MGSUTHNDQZUEOM-GOSISDBHSA-N 2 1 396.373 3.566 20 0 GHADMP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741725 887774941 /nfs/dbraw/zinc/77/49/41/887774941.db2.gz UPLMBFGMUCRFRT-SFHVURJKSA-N 2 1 389.893 3.959 20 0 GHADMP CCc1ncc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)s1 ZINC000809763572 887804987 /nfs/dbraw/zinc/80/49/87/887804987.db2.gz CCQVIPAGNWMTSV-UHFFFAOYSA-N 2 1 388.581 3.822 20 0 GHADMP CCc1ncc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)s1 ZINC000809763572 887804998 /nfs/dbraw/zinc/80/49/98/887804998.db2.gz CCQVIPAGNWMTSV-UHFFFAOYSA-N 2 1 388.581 3.822 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952125 888019107 /nfs/dbraw/zinc/01/91/07/888019107.db2.gz VLNQIRIAQJHJNI-JBACZVJFSA-N 2 1 393.616 3.981 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952125 888019120 /nfs/dbraw/zinc/01/91/20/888019120.db2.gz VLNQIRIAQJHJNI-JBACZVJFSA-N 2 1 393.616 3.981 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952125 888019134 /nfs/dbraw/zinc/01/91/34/888019134.db2.gz VLNQIRIAQJHJNI-JBACZVJFSA-N 2 1 393.616 3.981 20 0 GHADMP Cn1nc2c(c1CNc1ccc([NH+]3CCC(C[NH+](C)C)CC3)cc1)CCCC2 ZINC000865504235 888393390 /nfs/dbraw/zinc/39/33/90/888393390.db2.gz HEOFOVYPSIAZNZ-UHFFFAOYSA-N 2 1 381.568 3.689 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000195136937 888649601 /nfs/dbraw/zinc/64/96/01/888649601.db2.gz CICMVHKLLICKAB-UYAOXDASSA-N 2 1 379.504 3.816 20 0 GHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195133776 888649847 /nfs/dbraw/zinc/64/98/47/888649847.db2.gz BVLKSPLSWICMKX-AEFFLSMTSA-N 2 1 386.927 3.564 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000123456703 889221121 /nfs/dbraw/zinc/22/11/21/889221121.db2.gz ZROYZIMHZRFEJX-UHFFFAOYSA-N 2 1 383.536 3.867 20 0 GHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1cccc(Cl)c1 ZINC000465529285 889252532 /nfs/dbraw/zinc/25/25/32/889252532.db2.gz QPQSIMGBFCOZGA-WOJBJXKFSA-N 2 1 394.991 3.849 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000868186200 889342651 /nfs/dbraw/zinc/34/26/51/889342651.db2.gz JMSZQAYSNMXEDH-XZOQPEGZSA-N 2 1 392.547 3.674 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000868187889 889343694 /nfs/dbraw/zinc/34/36/94/889343694.db2.gz QZITYBSVGRGHEM-BVYCBKJFSA-N 2 1 378.520 3.535 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000124703430 889729584 /nfs/dbraw/zinc/72/95/84/889729584.db2.gz NRYOSRWIBIZIST-FQEVSTJZSA-N 3 1 395.595 3.782 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000125101993 889874747 /nfs/dbraw/zinc/87/47/47/889874747.db2.gz JJVUEFDTZURSDG-FQEVSTJZSA-N 2 1 394.563 3.554 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=S)NCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000795093297 890044846 /nfs/dbraw/zinc/04/48/46/890044846.db2.gz ZXCQRHGKXYCXFV-LJQANCHMSA-N 2 1 397.032 3.529 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000455114025 890367928 /nfs/dbraw/zinc/36/79/28/890367928.db2.gz KYOMZPKRUXWECO-OAQYLSRUSA-N 2 1 386.584 3.559 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCSc4ccc(F)cc43)cc2)CC1 ZINC000126647210 890628522 /nfs/dbraw/zinc/62/85/22/890628522.db2.gz UOJMOXNEMDYIPE-NRFANRHFSA-N 2 1 385.552 3.900 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(-n4ccnc4)cc3)CC2)CC1 ZINC000533484769 890695095 /nfs/dbraw/zinc/69/50/95/890695095.db2.gz XEEKIQFIOFIAFF-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126834148 890770953 /nfs/dbraw/zinc/77/09/53/890770953.db2.gz KOOGVQDBQCEKEB-GJZGRUSLSA-N 2 1 397.386 3.597 20 0 GHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126834148 890770965 /nfs/dbraw/zinc/77/09/65/890770965.db2.gz KOOGVQDBQCEKEB-GJZGRUSLSA-N 2 1 397.386 3.597 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455444912 890973103 /nfs/dbraw/zinc/97/31/03/890973103.db2.gz KVOXPJOAUVOENW-SRTDZIGRSA-N 2 1 398.595 3.589 20 0 GHADMP Brc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCOC2)c1 ZINC000872018728 891117864 /nfs/dbraw/zinc/11/78/64/891117864.db2.gz PNLSXGQTAMGFKX-BEFAXECRSA-N 2 1 379.342 3.743 20 0 GHADMP Brc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCOC2)c1 ZINC000872018730 891118013 /nfs/dbraw/zinc/11/80/13/891118013.db2.gz PNLSXGQTAMGFKX-HNAYVOBHSA-N 2 1 379.342 3.743 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000247889506 891398626 /nfs/dbraw/zinc/39/86/26/891398626.db2.gz DYWAAXHOFUPMCY-HLAWJBBLSA-N 2 1 384.593 3.780 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000247889506 891398644 /nfs/dbraw/zinc/39/86/44/891398644.db2.gz DYWAAXHOFUPMCY-HLAWJBBLSA-N 2 1 384.593 3.780 20 0 GHADMP O[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1c(F)cccc1F ZINC000813370707 891554685 /nfs/dbraw/zinc/55/46/85/891554685.db2.gz JHJJHBYTVLQXRX-NRFANRHFSA-N 2 1 386.486 3.986 20 0 GHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000497449003 891612661 /nfs/dbraw/zinc/61/26/61/891612661.db2.gz YDQAYBGTCWDMSL-QFIPXVFZSA-N 2 1 385.577 3.721 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)C2 ZINC001168270412 891614121 /nfs/dbraw/zinc/61/41/21/891614121.db2.gz YWOUUUHXXRIKTP-FQEVSTJZSA-N 2 1 398.572 3.591 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1cccs1)CCO3)C2 ZINC001168270412 891614128 /nfs/dbraw/zinc/61/41/28/891614128.db2.gz YWOUUUHXXRIKTP-FQEVSTJZSA-N 2 1 398.572 3.591 20 0 GHADMP COc1cc(C[NH+]2CCCOC(C)(C)C2)cc(C[N@H+]2CCCOC(C)(C)C2)c1 ZINC000644994368 913592789 /nfs/dbraw/zinc/59/27/89/913592789.db2.gz HZZXGGQJWZELRU-UHFFFAOYSA-N 2 1 390.568 3.697 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)cc1)C(C)C ZINC000261711893 892084473 /nfs/dbraw/zinc/08/44/73/892084473.db2.gz DPLDBNMYSYDYLP-QFIPXVFZSA-N 2 1 395.547 3.712 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)cc1)C(C)C ZINC000261711893 892084494 /nfs/dbraw/zinc/08/44/94/892084494.db2.gz DPLDBNMYSYDYLP-QFIPXVFZSA-N 2 1 395.547 3.712 20 0 GHADMP CCO[C@@H]1C[C@]([NH3+])(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1(C)C ZINC000261774946 892108093 /nfs/dbraw/zinc/10/80/93/892108093.db2.gz NIUJGABNYITLEF-GCJKJVERSA-N 2 1 384.524 3.712 20 0 GHADMP [NH3+]C1(c2ccc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)cc2)CCC1 ZINC001170719132 892172220 /nfs/dbraw/zinc/17/22/20/892172220.db2.gz VISQADLYCYFEBK-YHBQERECSA-N 2 1 382.596 3.775 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(N4CCCC4)c3)CC2)CC1 ZINC000874943693 892383920 /nfs/dbraw/zinc/38/39/20/892383920.db2.gz JYGSAKZOVSZEJH-UHFFFAOYSA-N 2 1 398.595 3.730 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645106033 913674938 /nfs/dbraw/zinc/67/49/38/913674938.db2.gz GIFJGNMWHVUTLI-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000875478044 892635382 /nfs/dbraw/zinc/63/53/82/892635382.db2.gz WJDOKSFIRUEUIB-UXHICEINSA-N 2 1 390.616 3.689 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695744 892657766 /nfs/dbraw/zinc/65/77/66/892657766.db2.gz IQOAQPHOTNECQO-FCEUIQTBSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000508708982 892803945 /nfs/dbraw/zinc/80/39/45/892803945.db2.gz FNOOQEJRYUFPGF-SVFBPWRDSA-N 2 1 383.605 3.995 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C2CC2)c(F)c1 ZINC000421840986 892933878 /nfs/dbraw/zinc/93/38/78/892933878.db2.gz JJWTXDHGCUZKLS-AUSIDOKSSA-N 2 1 384.495 3.642 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000645156236 913714935 /nfs/dbraw/zinc/71/49/35/913714935.db2.gz DYGRMZYRCVAGNN-QGZVFWFLSA-N 2 1 399.348 3.754 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753373 892942954 /nfs/dbraw/zinc/94/29/54/892942954.db2.gz PCNCHUJSZIHLBZ-YSFYHYPLSA-N 2 1 383.580 3.819 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721366 892967027 /nfs/dbraw/zinc/96/70/27/892967027.db2.gz PGDSUKXRHRGTRL-REWPJTCUSA-N 2 1 393.575 3.966 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563086535 893354854 /nfs/dbraw/zinc/35/48/54/893354854.db2.gz MUNDQIKDEMKTPU-KPOBDUQXSA-N 2 1 393.934 3.509 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000876898952 893378744 /nfs/dbraw/zinc/37/87/44/893378744.db2.gz QUNKAKMLFNULAW-SXSPYAJSSA-N 2 1 396.531 3.695 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000876898952 893378757 /nfs/dbraw/zinc/37/87/57/893378757.db2.gz QUNKAKMLFNULAW-SXSPYAJSSA-N 2 1 396.531 3.695 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@@H]1C ZINC000536658562 893438556 /nfs/dbraw/zinc/43/85/56/893438556.db2.gz GJUTWKCEDMAWOU-RXVVDRJESA-N 2 1 383.536 3.974 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@@H]1C ZINC000536658562 893438570 /nfs/dbraw/zinc/43/85/70/893438570.db2.gz GJUTWKCEDMAWOU-RXVVDRJESA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@@H]1C ZINC000536658562 893438580 /nfs/dbraw/zinc/43/85/80/893438580.db2.gz GJUTWKCEDMAWOU-RXVVDRJESA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@@H]1C ZINC000536658562 893438590 /nfs/dbraw/zinc/43/85/90/893438590.db2.gz GJUTWKCEDMAWOU-RXVVDRJESA-N 2 1 383.536 3.974 20 0 GHADMP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000815126941 893459450 /nfs/dbraw/zinc/45/94/50/893459450.db2.gz TUZVBGHNICTSHP-MSOLQXFVSA-N 2 1 393.369 3.539 20 0 GHADMP COc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676719 893520515 /nfs/dbraw/zinc/52/05/15/893520515.db2.gz NAQOVUSXCDOFSU-FXAWDEMLSA-N 2 1 382.504 3.909 20 0 GHADMP COc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc2c1OCO2 ZINC000536676719 893520530 /nfs/dbraw/zinc/52/05/30/893520530.db2.gz NAQOVUSXCDOFSU-FXAWDEMLSA-N 2 1 382.504 3.909 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C[C@@H]([NH3+])C4CCCC4)C3)CC2)[nH+]c1 ZINC000877451062 893614443 /nfs/dbraw/zinc/61/44/43/893614443.db2.gz IYCCTJPOCSAXQD-SIKLNZKXSA-N 2 1 398.595 3.753 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686222327 893848813 /nfs/dbraw/zinc/84/88/13/893848813.db2.gz ZUAOHOXNFBQRSG-AZUAARDMSA-N 2 1 387.568 3.744 20 0 GHADMP [NH3+]CCN(CCc1ccccc1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563712798 894096924 /nfs/dbraw/zinc/09/69/24/894096924.db2.gz HHMIQKNHWCJSBO-NRFANRHFSA-N 2 1 394.563 3.523 20 0 GHADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OCc1c(C)noc1C ZINC000459743234 894168771 /nfs/dbraw/zinc/16/87/71/894168771.db2.gz WZOQVSOGGWRJML-GOSISDBHSA-N 2 1 387.524 3.701 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCCC1 ZINC001135269821 894301237 /nfs/dbraw/zinc/30/12/37/894301237.db2.gz WCLNHDQESHVXSL-NRFANRHFSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537096861 894306085 /nfs/dbraw/zinc/30/60/85/894306085.db2.gz PFIMILZGLJKPBP-KRWDZBQOSA-N 2 1 377.492 3.970 20 0 GHADMP C[NH+](C)[C@H]1CCCN(CC(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511849 894349528 /nfs/dbraw/zinc/34/95/28/894349528.db2.gz HQHSWJKJNQJRBM-ZEQRLZLVSA-N 3 1 392.676 3.625 20 0 GHADMP C[NH+](C)[C@H]1CCC[NH+](CC(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511849 894349543 /nfs/dbraw/zinc/34/95/43/894349543.db2.gz HQHSWJKJNQJRBM-ZEQRLZLVSA-N 4 1 392.676 3.625 20 0 GHADMP C[NH+](C)[C@H]1CCC[NH+](CC(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511849 894349557 /nfs/dbraw/zinc/34/95/57/894349557.db2.gz HQHSWJKJNQJRBM-ZEQRLZLVSA-N 4 1 392.676 3.625 20 0 GHADMP Clc1cc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247365 894652470 /nfs/dbraw/zinc/65/24/70/894652470.db2.gz CHVXIKURINZAOP-XLIONFOSSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247365 894652483 /nfs/dbraw/zinc/65/24/83/894652483.db2.gz CHVXIKURINZAOP-XLIONFOSSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247365 894652496 /nfs/dbraw/zinc/65/24/96/894652496.db2.gz CHVXIKURINZAOP-XLIONFOSSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247365 894652507 /nfs/dbraw/zinc/65/25/07/894652507.db2.gz CHVXIKURINZAOP-XLIONFOSSA-N 2 1 390.955 3.993 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000564236651 894755385 /nfs/dbraw/zinc/75/53/85/894755385.db2.gz BUGTYGFYBVCOPD-XWGVYQGASA-N 2 1 386.580 3.853 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564318632 894857650 /nfs/dbraw/zinc/85/76/50/894857650.db2.gz AYNSWPXEMABSQY-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP CN(C(=O)CC(C)(C)CC(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000879290081 894956073 /nfs/dbraw/zinc/95/60/73/894956073.db2.gz AGXPCEQADUDKMK-QZTJIDSGSA-N 2 1 387.559 3.854 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455853666 894966749 /nfs/dbraw/zinc/96/67/49/894966749.db2.gz GCRKVAUGFSQLOU-HSZRJFAPSA-N 2 1 392.547 3.894 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Br)c1 ZINC000325774130 895206662 /nfs/dbraw/zinc/20/66/62/895206662.db2.gz WOBCXGAONFKMFD-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP CC(C)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC1CC[NH+](C)CC1 ZINC000879705062 895244870 /nfs/dbraw/zinc/24/48/70/895244870.db2.gz ZHOSITXPVNWMMP-UHFFFAOYSA-N 2 1 388.581 3.685 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000564853602 895283743 /nfs/dbraw/zinc/28/37/43/895283743.db2.gz FDHWIPCUPXMNBS-GDKQOWJMSA-N 2 1 382.548 3.534 20 0 GHADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564929175 895311955 /nfs/dbraw/zinc/31/19/55/895311955.db2.gz JAQOGUZUFLRKQR-APWZRJJASA-N 2 1 385.474 3.593 20 0 GHADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000564952646 895321357 /nfs/dbraw/zinc/32/13/57/895321357.db2.gz JDKDNHIKFMZNDR-TZIWHRDSSA-N 2 1 398.595 3.730 20 0 GHADMP CC(C)C[C@@H]([NH3+])c1noc([C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000564959615 895323288 /nfs/dbraw/zinc/32/32/88/895323288.db2.gz FBBJUHHOSDEFSF-CRAIPNDOSA-N 2 1 382.430 3.822 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](c4ccccc4C)C[C@@H]3C)CC2)CC1 ZINC000565187788 895448671 /nfs/dbraw/zinc/44/86/71/895448671.db2.gz ISSRKKLQUFYPNB-RBBKRZOGSA-N 2 1 397.607 3.896 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000565191949 895451842 /nfs/dbraw/zinc/45/18/42/895451842.db2.gz XTMHTEALCMCGKG-GBXCKJPGSA-N 2 1 393.575 3.916 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170862454 895522894 /nfs/dbraw/zinc/52/28/94/895522894.db2.gz KPNKFTFXKMDWHI-GOSISDBHSA-N 3 1 396.417 3.782 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000565775112 895867680 /nfs/dbraw/zinc/86/76/80/895867680.db2.gz HDWIJZDZUJKHHP-KXBFYZLASA-N 2 1 398.378 3.506 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902194 895956636 /nfs/dbraw/zinc/95/66/36/895956636.db2.gz KPCZIZXWIBQAMM-PNTFMKQHSA-N 2 1 390.527 3.847 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000566424110 896304306 /nfs/dbraw/zinc/30/43/06/896304306.db2.gz INHLINGVYCEWAC-VPWXQRGCSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000566424110 896304319 /nfs/dbraw/zinc/30/43/19/896304319.db2.gz INHLINGVYCEWAC-VPWXQRGCSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000566424110 896304333 /nfs/dbraw/zinc/30/43/33/896304333.db2.gz INHLINGVYCEWAC-VPWXQRGCSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000566578880 896390016 /nfs/dbraw/zinc/39/00/16/896390016.db2.gz GFESDFWFUKIPEB-CNNODRBYSA-N 2 1 375.520 3.829 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC001136192667 896398798 /nfs/dbraw/zinc/39/87/98/896398798.db2.gz MOGKIVUTAQUVAK-QFIPXVFZSA-N 2 1 399.966 3.986 20 0 GHADMP CC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000882508207 896834805 /nfs/dbraw/zinc/83/48/05/896834805.db2.gz WWHMCRZTXCRGIT-LJQANCHMSA-N 2 1 384.568 3.580 20 0 GHADMP Cc1cc(NC(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cn2cc[nH+]c12 ZINC000567058938 896840090 /nfs/dbraw/zinc/84/00/90/896840090.db2.gz JGIBYPZCFLXTJM-UHFFFAOYSA-N 2 1 393.491 3.786 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3cccc(F)c3)C(C)C)CC2)CC1 ZINC000567121444 896890850 /nfs/dbraw/zinc/89/08/50/896890850.db2.gz GLNRZZXXSKEITR-UHFFFAOYSA-N 2 1 389.559 3.759 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001136252688 896907081 /nfs/dbraw/zinc/90/70/81/896907081.db2.gz NOHVVVHGKFLDDC-SXWKCWPCSA-N 2 1 385.596 3.901 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC000882891739 897079654 /nfs/dbraw/zinc/07/96/54/897079654.db2.gz DCPSMSMFTXSRHF-QGZVFWFLSA-N 2 1 384.593 3.731 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC000882891739 897079665 /nfs/dbraw/zinc/07/96/65/897079665.db2.gz DCPSMSMFTXSRHF-QGZVFWFLSA-N 2 1 384.593 3.731 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC12CCOCC2 ZINC000567589085 897275906 /nfs/dbraw/zinc/27/59/06/897275906.db2.gz WIDDQFJMXPFBIY-HNNXBMFYSA-N 2 1 383.517 3.744 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000567675857 897329588 /nfs/dbraw/zinc/32/95/88/897329588.db2.gz MCDITFKSHHZAFW-QHCPKHFHSA-N 2 1 378.520 3.584 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883216313 897379783 /nfs/dbraw/zinc/37/97/83/897379783.db2.gz OFVGUYGRWFYKFU-DNQXCXABSA-N 2 1 398.522 3.650 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC4(CCOCC4)CO2)C3)cc1 ZINC000883263602 897418985 /nfs/dbraw/zinc/41/89/85/897418985.db2.gz ZQEFAMBOHQFKMI-KAOXLYBCSA-N 2 1 384.564 3.747 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000568202223 897671039 /nfs/dbraw/zinc/67/10/39/897671039.db2.gz HAWRBOOQTRJBKI-MBSDFSHPSA-N 2 1 383.580 3.623 20 0 GHADMP Fc1cccc2c1C[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)CC2 ZINC001170960922 897808659 /nfs/dbraw/zinc/80/86/59/897808659.db2.gz IZQOMBUJWUTSTF-YPAWHYETSA-N 2 1 385.571 3.611 20 0 GHADMP Cc1cccc2ncc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)n21 ZINC001137195077 897860278 /nfs/dbraw/zinc/86/02/78/897860278.db2.gz DVGOLXNSNADJDA-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001136448692 897878230 /nfs/dbraw/zinc/87/82/30/897878230.db2.gz MHKPKMRJLUJHDE-FGZHOGPDSA-N 2 1 383.511 3.518 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccnc1Cl ZINC000028888703 897988861 /nfs/dbraw/zinc/98/88/61/897988861.db2.gz BAWNWDULZPUCTK-INIZCTEOSA-N 2 1 386.927 3.838 20 0 GHADMP COCCC[N@@H+](Cc1ccncc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289488565 914209286 /nfs/dbraw/zinc/20/92/86/914209286.db2.gz RJDYDAUMFKDIRU-UHFFFAOYSA-N 2 1 396.579 3.651 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000133041814 898099780 /nfs/dbraw/zinc/09/97/80/898099780.db2.gz XDFHJSJOITUKGC-NUJGCVRESA-N 2 1 379.570 3.730 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000133041814 898099791 /nfs/dbraw/zinc/09/97/91/898099791.db2.gz XDFHJSJOITUKGC-NUJGCVRESA-N 2 1 379.570 3.730 20 0 GHADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000646140228 914283449 /nfs/dbraw/zinc/28/34/49/914283449.db2.gz INARIGCYJJGDKI-ISKFKSNPSA-N 2 1 377.532 3.510 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CCC2CC[NH+](C)CC2)cs1)c1ccc(F)cc1 ZINC000113336191 898987220 /nfs/dbraw/zinc/98/72/20/898987220.db2.gz BLAAVGSBEVUFAT-UHFFFAOYSA-N 2 1 390.528 3.788 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000570159826 899164767 /nfs/dbraw/zinc/16/47/67/899164767.db2.gz PTCARBCMPDMVQP-DVECYGJZSA-N 2 1 377.532 3.835 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(N3CCOC3=O)c2)CC1 ZINC000823697444 899192835 /nfs/dbraw/zinc/19/28/35/899192835.db2.gz JZWWSPVKTSMSEB-LJQANCHMSA-N 2 1 393.531 3.828 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC001202685093 899262929 /nfs/dbraw/zinc/26/29/29/899262929.db2.gz WFWDQVNGQZDSPV-UHFFFAOYSA-N 2 1 387.568 3.944 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000570865042 899650670 /nfs/dbraw/zinc/65/06/70/899650670.db2.gz MXBQUZZCWQGZPU-CTNGQTDRSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000570865042 899650676 /nfs/dbraw/zinc/65/06/76/899650676.db2.gz MXBQUZZCWQGZPU-CTNGQTDRSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000570865042 899650684 /nfs/dbraw/zinc/65/06/84/899650684.db2.gz MXBQUZZCWQGZPU-CTNGQTDRSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000570865042 899650690 /nfs/dbraw/zinc/65/06/90/899650690.db2.gz MXBQUZZCWQGZPU-CTNGQTDRSA-N 2 1 376.504 3.932 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(F)cnc2Cl)CC1 ZINC000824538090 899698655 /nfs/dbraw/zinc/69/86/55/899698655.db2.gz KQWHQLMZLMWGPO-UHFFFAOYSA-N 2 1 376.907 3.696 20 0 GHADMP FC(F)COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001136937155 899814822 /nfs/dbraw/zinc/81/48/22/899814822.db2.gz XFYDLOCSPJDUKL-UXHICEINSA-N 2 1 387.474 3.679 20 0 GHADMP FC(F)COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001136937155 899814826 /nfs/dbraw/zinc/81/48/26/899814826.db2.gz XFYDLOCSPJDUKL-UXHICEINSA-N 2 1 387.474 3.679 20 0 GHADMP FC(F)COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001136937155 899814834 /nfs/dbraw/zinc/81/48/34/899814834.db2.gz XFYDLOCSPJDUKL-UXHICEINSA-N 2 1 387.474 3.679 20 0 GHADMP FC(F)COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001136937155 899814841 /nfs/dbraw/zinc/81/48/41/899814841.db2.gz XFYDLOCSPJDUKL-UXHICEINSA-N 2 1 387.474 3.679 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000571327353 899830526 /nfs/dbraw/zinc/83/05/26/899830526.db2.gz VUWGCNAUGXLYKD-KGLIPLIRSA-N 2 1 389.284 3.872 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000571742542 899963637 /nfs/dbraw/zinc/96/36/37/899963637.db2.gz HMFPVTQNKIQKFE-NYLDSWQDSA-N 2 1 382.527 3.832 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572518605 900213957 /nfs/dbraw/zinc/21/39/57/900213957.db2.gz YIYYEEFLMIBJDI-RRTIHBJFSA-N 2 1 395.950 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572518605 900213961 /nfs/dbraw/zinc/21/39/61/900213961.db2.gz YIYYEEFLMIBJDI-RRTIHBJFSA-N 2 1 395.950 3.756 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000646362050 914441640 /nfs/dbraw/zinc/44/16/40/914441640.db2.gz LMYQCBYHRFUXQH-XMMPIXPASA-N 2 1 377.532 3.534 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000573395816 900493605 /nfs/dbraw/zinc/49/36/05/900493605.db2.gz WUHOYZQAQITNIE-UHFFFAOYSA-N 2 1 397.563 3.862 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171109006 900560692 /nfs/dbraw/zinc/56/06/92/900560692.db2.gz JUBKKUOUIOMWQQ-PUHATCMVSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171109006 900560695 /nfs/dbraw/zinc/56/06/95/900560695.db2.gz JUBKKUOUIOMWQQ-PUHATCMVSA-N 2 1 384.951 3.670 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000573707173 900599308 /nfs/dbraw/zinc/59/93/08/900599308.db2.gz FKCQIUQEDVFDTR-CYBMUJFWSA-N 2 1 377.273 3.870 20 0 GHADMP CCC[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000573847393 900662171 /nfs/dbraw/zinc/66/21/71/900662171.db2.gz NIDZMONPDQINSC-JOCHJYFZSA-N 2 1 385.577 3.808 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886509956 901101828 /nfs/dbraw/zinc/10/18/28/901101828.db2.gz MNLBWPXWBSWNOL-XJUOHMSHSA-N 2 1 391.515 3.786 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC(c3ccc(Cl)cc3)=CC2=O)CC1 ZINC000844693821 901175368 /nfs/dbraw/zinc/17/53/68/901175368.db2.gz FSNAAQFGKBNAAS-UHFFFAOYSA-N 2 1 375.944 3.575 20 0 GHADMP CNC(=O)C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000886605605 901185328 /nfs/dbraw/zinc/18/53/28/901185328.db2.gz VDCXLOGTYFZZNZ-UDIDDNNKSA-N 2 1 377.532 3.507 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177034 901196648 /nfs/dbraw/zinc/19/66/48/901196648.db2.gz ILDHUQZBBAMXGK-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177034 901196654 /nfs/dbraw/zinc/19/66/54/901196654.db2.gz ILDHUQZBBAMXGK-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177034 901196668 /nfs/dbraw/zinc/19/66/68/901196668.db2.gz ILDHUQZBBAMXGK-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177034 901196676 /nfs/dbraw/zinc/19/66/76/901196676.db2.gz ILDHUQZBBAMXGK-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC001144218746 901279347 /nfs/dbraw/zinc/27/93/47/901279347.db2.gz ANJSXUFEAGFSTM-DNQXCXABSA-N 2 1 399.623 3.971 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(-n4cccc4)cc3)CC2)C1 ZINC001144238568 901294759 /nfs/dbraw/zinc/29/47/59/901294759.db2.gz BIIIBCJNQZIVMD-OAQYLSRUSA-N 2 1 395.547 3.717 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-n4cccc4)cc3)CC2)C1 ZINC001144238568 901294770 /nfs/dbraw/zinc/29/47/70/901294770.db2.gz BIIIBCJNQZIVMD-OAQYLSRUSA-N 2 1 395.547 3.717 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-n4cccc4)cc3)CC2)C1 ZINC001144238568 901294780 /nfs/dbraw/zinc/29/47/80/901294780.db2.gz BIIIBCJNQZIVMD-OAQYLSRUSA-N 2 1 395.547 3.717 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000575822261 901338157 /nfs/dbraw/zinc/33/81/57/901338157.db2.gz ITIXOMCXODZIIQ-IAGOWNOFSA-N 2 1 379.504 3.894 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@H](C)C1 ZINC000122332114 901762033 /nfs/dbraw/zinc/76/20/33/901762033.db2.gz OSBPLFIOLHIOEM-LIQSCNJDSA-N 2 1 399.579 3.546 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC000333468919 902114935 /nfs/dbraw/zinc/11/49/35/902114935.db2.gz QXKFMRSBPABBAW-NQIIRXRSSA-N 2 1 398.551 3.779 20 0 GHADMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC000333468919 902114947 /nfs/dbraw/zinc/11/49/47/902114947.db2.gz QXKFMRSBPABBAW-NQIIRXRSSA-N 2 1 398.551 3.779 20 0 GHADMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC000333468919 902114951 /nfs/dbraw/zinc/11/49/51/902114951.db2.gz QXKFMRSBPABBAW-NQIIRXRSSA-N 2 1 398.551 3.779 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000576707293 902206283 /nfs/dbraw/zinc/20/62/83/902206283.db2.gz LIRMMEMQNNJGFZ-IFMALSPDSA-N 2 1 385.577 3.647 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3cc(Br)cs3)no1)CC[NH2+]CC2 ZINC000333619511 902227723 /nfs/dbraw/zinc/22/77/23/902227723.db2.gz TZTQDHYHYXUZTB-LLVKDONJSA-N 2 1 397.342 3.525 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000577055112 902471403 /nfs/dbraw/zinc/47/14/03/902471403.db2.gz IOAGAYIUJMVXGK-KNKQGSTJSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000577055112 902471409 /nfs/dbraw/zinc/47/14/09/902471409.db2.gz IOAGAYIUJMVXGK-KNKQGSTJSA-N 2 1 388.577 3.777 20 0 GHADMP c1cc2cccc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3cccnc3)C4)c2[nH]1 ZINC001144716997 902700292 /nfs/dbraw/zinc/70/02/92/902700292.db2.gz UKSDCISOUAUGPC-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000646591511 914700552 /nfs/dbraw/zinc/70/05/52/914700552.db2.gz FJCJSERCLXPMLG-QHCPKHFHSA-N 2 1 379.548 3.504 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000578034236 903460610 /nfs/dbraw/zinc/46/06/10/903460610.db2.gz XGZKTJLZWONACY-LYCSZFELSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000578040155 903466738 /nfs/dbraw/zinc/46/67/38/903466738.db2.gz IKVJMZXQOMYCIZ-BAGYTPMASA-N 2 1 399.604 3.764 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000779047993 903535254 /nfs/dbraw/zinc/53/52/54/903535254.db2.gz HJCFQSZMALIIGR-NHCUHLMSSA-N 2 1 387.568 3.540 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001171307827 903812129 /nfs/dbraw/zinc/81/21/29/903812129.db2.gz RRLFVSGFFSXRFW-JFIYKMOQSA-N 2 1 392.971 3.957 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001148520420 904091412 /nfs/dbraw/zinc/09/14/12/904091412.db2.gz RNGGMXRGXORTDG-HXUWFJFHSA-N 2 1 381.520 3.612 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnn1-c1ccccc1 ZINC000773068636 904412076 /nfs/dbraw/zinc/41/20/76/904412076.db2.gz KZHXSDHZZKYVSM-JJEOQYAHSA-N 2 1 382.552 3.599 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000579448479 904616652 /nfs/dbraw/zinc/61/66/52/904616652.db2.gz UHBWESLJOXSRKQ-LJQANCHMSA-N 2 1 383.540 3.955 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000579465371 904629714 /nfs/dbraw/zinc/62/97/14/904629714.db2.gz VWBDFPADQAIVKU-FXAWDEMLSA-N 2 1 388.939 3.895 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3ncccc3Cl)CC2)cc1 ZINC000579507013 904660289 /nfs/dbraw/zinc/66/02/89/904660289.db2.gz WMTYANZDEZUFIM-UHFFFAOYSA-N 2 1 377.891 3.550 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171534024 904759891 /nfs/dbraw/zinc/75/98/91/904759891.db2.gz CNUOTIUAPKNCPE-JKSUJKDBSA-N 2 1 396.497 3.973 20 0 GHADMP Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001171556786 904828388 /nfs/dbraw/zinc/82/83/88/904828388.db2.gz MZQOFNWAWCDPQR-HJOGWXRNSA-N 2 1 381.608 3.781 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564617 904830047 /nfs/dbraw/zinc/83/00/47/904830047.db2.gz CTQGQVGRCXZMMC-RBBKRZOGSA-N 2 1 384.564 3.592 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564617 904830060 /nfs/dbraw/zinc/83/00/60/904830060.db2.gz CTQGQVGRCXZMMC-RBBKRZOGSA-N 2 1 384.564 3.592 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CC1(C)C ZINC001171638657 904927677 /nfs/dbraw/zinc/92/76/77/904927677.db2.gz YRAHXARIXAUNPG-NRFANRHFSA-N 2 1 375.582 3.828 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)CC1(C)C ZINC001171638645 904928258 /nfs/dbraw/zinc/92/82/58/904928258.db2.gz YGPVBHGLQGXQEN-PKTZIBPZSA-N 2 1 399.623 3.656 20 0 GHADMP C[NH+]1C(C)(C)CC([NH+]2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1(C)C ZINC001171640583 904930338 /nfs/dbraw/zinc/93/03/38/904930338.db2.gz GOWDYYGLXDOLLK-UHFFFAOYSA-N 2 1 392.609 3.921 20 0 GHADMP C[C@@H]1C[C@H](N2CCC([NH3+])(Cc3cccc(F)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738793 905025140 /nfs/dbraw/zinc/02/51/40/905025140.db2.gz NTQKNJPGYXOUHU-XXBNENTESA-N 2 1 381.539 3.825 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171739997 905027040 /nfs/dbraw/zinc/02/70/40/905027040.db2.gz ROAUMDTVEAZQIH-TZIWHRDSSA-N 2 1 379.548 3.608 20 0 GHADMP Fc1cccc2c1C[C@H]([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001171800321 905061768 /nfs/dbraw/zinc/06/17/68/905061768.db2.gz SLRPSYWHUHEGGO-SGIRGMQISA-N 2 1 398.566 3.753 20 0 GHADMP Fc1cccc2c1C[C@H]([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001171800321 905061793 /nfs/dbraw/zinc/06/17/93/905061793.db2.gz SLRPSYWHUHEGGO-SGIRGMQISA-N 2 1 398.566 3.753 20 0 GHADMP Fc1cccc2c1C[C@H]([NH+]1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001171800321 905061812 /nfs/dbraw/zinc/06/18/12/905061812.db2.gz SLRPSYWHUHEGGO-SGIRGMQISA-N 2 1 398.566 3.753 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171865307 905113101 /nfs/dbraw/zinc/11/31/01/905113101.db2.gz AYTAVPGASSCZHU-ISKFKSNPSA-N 2 1 391.559 3.793 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC001171884317 905118600 /nfs/dbraw/zinc/11/86/00/905118600.db2.gz ZLBHPWCUJJGSBR-RBZQAINGSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001171884317 905118606 /nfs/dbraw/zinc/11/86/06/905118606.db2.gz ZLBHPWCUJJGSBR-RBZQAINGSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001171884317 905118610 /nfs/dbraw/zinc/11/86/10/905118610.db2.gz ZLBHPWCUJJGSBR-RBZQAINGSA-N 2 1 397.607 3.723 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171891898 905126473 /nfs/dbraw/zinc/12/64/73/905126473.db2.gz OFKCAAAWZYWDPZ-NRFANRHFSA-N 2 1 392.547 3.624 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967450 905176166 /nfs/dbraw/zinc/17/61/66/905176166.db2.gz ACOPMPFQJHVWAQ-IEBWSBKVSA-N 2 1 375.557 3.932 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2cncn2C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171975301 905219681 /nfs/dbraw/zinc/21/96/81/905219681.db2.gz DLVJUOMXYOOMPT-FQEVSTJZSA-N 2 1 382.552 3.767 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2cncn2C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171975301 905219696 /nfs/dbraw/zinc/21/96/96/905219696.db2.gz DLVJUOMXYOOMPT-FQEVSTJZSA-N 2 1 382.552 3.767 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001171976431 905222096 /nfs/dbraw/zinc/22/20/96/905222096.db2.gz LCYWXAUFABPTOK-RTWAWAEBSA-N 2 1 388.502 3.901 20 0 GHADMP C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976412 905224336 /nfs/dbraw/zinc/22/43/36/905224336.db2.gz KWEMBOYQXZGRKJ-LJQANCHMSA-N 2 1 375.557 3.886 20 0 GHADMP C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976412 905224350 /nfs/dbraw/zinc/22/43/50/905224350.db2.gz KWEMBOYQXZGRKJ-LJQANCHMSA-N 2 1 375.557 3.886 20 0 GHADMP C[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976412 905224364 /nfs/dbraw/zinc/22/43/64/905224364.db2.gz KWEMBOYQXZGRKJ-LJQANCHMSA-N 2 1 375.557 3.886 20 0 GHADMP C[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976412 905224371 /nfs/dbraw/zinc/22/43/71/905224371.db2.gz KWEMBOYQXZGRKJ-LJQANCHMSA-N 2 1 375.557 3.886 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(C(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984889 905241661 /nfs/dbraw/zinc/24/16/61/905241661.db2.gz PUQWVQIMOJRQKF-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCCC[C@H]2C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984814 905242079 /nfs/dbraw/zinc/24/20/79/905242079.db2.gz PEQCGCCCNNAVGT-YADHBBJMSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCCC[C@H]2C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171984814 905242093 /nfs/dbraw/zinc/24/20/93/905242093.db2.gz PEQCGCCCNNAVGT-YADHBBJMSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001171984814 905242104 /nfs/dbraw/zinc/24/21/04/905242104.db2.gz PEQCGCCCNNAVGT-YADHBBJMSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCCC[C@H]2C(=O)N2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001171984814 905242121 /nfs/dbraw/zinc/24/21/21/905242121.db2.gz PEQCGCCCNNAVGT-YADHBBJMSA-N 2 1 383.580 3.907 20 0 GHADMP O=C1Cc2cc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc2N1 ZINC001172071672 905275096 /nfs/dbraw/zinc/27/50/96/905275096.db2.gz YCPMGFJFDKFRNK-KOUNCHBCSA-N 2 1 375.516 3.857 20 0 GHADMP CC(C)C(=O)N[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086198 905298062 /nfs/dbraw/zinc/29/80/62/905298062.db2.gz DZICTZIQCPUJGE-LUKWVAJMSA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172086198 905298074 /nfs/dbraw/zinc/29/80/74/905298074.db2.gz DZICTZIQCPUJGE-LUKWVAJMSA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172086198 905298087 /nfs/dbraw/zinc/29/80/87/905298087.db2.gz DZICTZIQCPUJGE-LUKWVAJMSA-N 2 1 383.580 3.809 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100490 905322210 /nfs/dbraw/zinc/32/22/10/905322210.db2.gz RKLLDTYDBHTEEQ-IVDHNXQLSA-N 2 1 379.589 3.875 20 0 GHADMP CC(=O)N1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172068112 905334138 /nfs/dbraw/zinc/33/41/38/905334138.db2.gz HMCPKJWVHKUFST-BKFWDETESA-N 2 1 395.591 3.907 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc3nnc(-c4ccccc4F)n3c1)C2 ZINC001172108555 905355404 /nfs/dbraw/zinc/35/54/04/905355404.db2.gz BHPFNSBDVGCZMG-NNZMDNLPSA-N 2 1 379.483 3.640 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001172109027 905355620 /nfs/dbraw/zinc/35/56/20/905355620.db2.gz AHWZIZNNZBSICY-LDLYASANSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001172109027 905355640 /nfs/dbraw/zinc/35/56/40/905355640.db2.gz AHWZIZNNZBSICY-LDLYASANSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172109487 905356101 /nfs/dbraw/zinc/35/61/01/905356101.db2.gz HCIWCLCCIRLWDU-ZFMUULCISA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172109487 905356120 /nfs/dbraw/zinc/35/61/20/905356120.db2.gz HCIWCLCCIRLWDU-ZFMUULCISA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C2 ZINC001172108819 905356919 /nfs/dbraw/zinc/35/69/19/905356919.db2.gz ZTIKNQULDNOSCU-DHUDUYKCSA-N 2 1 379.589 3.922 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccccc3N(C(=O)OC(C)(C)C)C1)C2 ZINC001172112802 905364347 /nfs/dbraw/zinc/36/43/47/905364347.db2.gz FKSQRHISSPEKRF-LWYYNNOASA-N 2 1 385.552 3.958 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1Cc3ccccc3N(C(=O)OC(C)(C)C)C1)C2 ZINC001172112802 905364360 /nfs/dbraw/zinc/36/43/60/905364360.db2.gz FKSQRHISSPEKRF-LWYYNNOASA-N 2 1 385.552 3.958 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3Cc4cc(F)ccc4C3=O)CC1)C2 ZINC001172115205 905369113 /nfs/dbraw/zinc/36/91/13/905369113.db2.gz SAYIYQBMUMYUGQ-RSMWHSHJSA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3Cc4cc(F)ccc4C3=O)CC1)C2 ZINC001172115205 905369128 /nfs/dbraw/zinc/36/91/28/905369128.db2.gz SAYIYQBMUMYUGQ-RSMWHSHJSA-N 2 1 385.527 3.698 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001172117704 905371715 /nfs/dbraw/zinc/37/17/15/905371715.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN([C@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001172117704 905371732 /nfs/dbraw/zinc/37/17/32/905371732.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN([C@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001172117704 905371758 /nfs/dbraw/zinc/37/17/58/905371758.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001172117704 905371772 /nfs/dbraw/zinc/37/17/72/905371772.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001172117704 905371792 /nfs/dbraw/zinc/37/17/92/905371792.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001172117704 905371813 /nfs/dbraw/zinc/37/18/13/905371813.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001172117704 905371831 /nfs/dbraw/zinc/37/18/31/905371831.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 3 1 397.607 3.998 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117999 905374854 /nfs/dbraw/zinc/37/48/54/905374854.db2.gz UAZNBDXEUCDZSF-NXYDZRKXSA-N 2 1 399.554 3.656 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117999 905374865 /nfs/dbraw/zinc/37/48/65/905374865.db2.gz UAZNBDXEUCDZSF-NXYDZRKXSA-N 2 1 399.554 3.656 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117999 905374880 /nfs/dbraw/zinc/37/48/80/905374880.db2.gz UAZNBDXEUCDZSF-NXYDZRKXSA-N 2 1 399.554 3.656 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117999 905374896 /nfs/dbraw/zinc/37/48/96/905374896.db2.gz UAZNBDXEUCDZSF-NXYDZRKXSA-N 2 1 399.554 3.656 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC1)C2 ZINC001172120448 905378654 /nfs/dbraw/zinc/37/86/54/905378654.db2.gz KYTFOEFVCGVLQI-KJFMYELZSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC1)C2 ZINC001172120448 905378682 /nfs/dbraw/zinc/37/86/82/905378682.db2.gz KYTFOEFVCGVLQI-KJFMYELZSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC1)C2 ZINC001172120448 905378700 /nfs/dbraw/zinc/37/87/00/905378700.db2.gz KYTFOEFVCGVLQI-KJFMYELZSA-N 2 1 377.573 3.581 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001172211516 905412154 /nfs/dbraw/zinc/41/21/54/905412154.db2.gz HDWXBYQVCAMBTN-JIFINUTQSA-N 2 1 378.944 3.623 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001172211516 905412162 /nfs/dbraw/zinc/41/21/62/905412162.db2.gz HDWXBYQVCAMBTN-JIFINUTQSA-N 2 1 378.944 3.623 20 0 GHADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001172445887 905562568 /nfs/dbraw/zinc/56/25/68/905562568.db2.gz GQCMBKIDVSBCCT-WTIAFYNJSA-N 2 1 378.601 3.651 20 0 GHADMP CC(C)OCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172445887 905562580 /nfs/dbraw/zinc/56/25/80/905562580.db2.gz GQCMBKIDVSBCCT-WTIAFYNJSA-N 2 1 378.601 3.651 20 0 GHADMP CC(C)OCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172445887 905562610 /nfs/dbraw/zinc/56/26/10/905562610.db2.gz GQCMBKIDVSBCCT-WTIAFYNJSA-N 2 1 378.601 3.651 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172514921 905609325 /nfs/dbraw/zinc/60/93/25/905609325.db2.gz KMEGRYSVHASZSV-HPAIXVDQSA-N 2 1 383.580 3.780 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+]([C@@H]4CC[C@@H](c5ccccc5)C4)C3)O2)CC1 ZINC001172557973 905620178 /nfs/dbraw/zinc/62/01/78/905620178.db2.gz HNXYKFGIYAMEHU-ZGFBMJKBSA-N 2 1 397.607 3.584 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+]([C@@H]4CC[C@@H](c5ccccc5)C4)C3)O2)CC1 ZINC001172557973 905620182 /nfs/dbraw/zinc/62/01/82/905620182.db2.gz HNXYKFGIYAMEHU-ZGFBMJKBSA-N 2 1 397.607 3.584 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+]([C@@H]4CC[C@@H](c5ccccc5)C4)C3)O2)CC1 ZINC001172557973 905620188 /nfs/dbraw/zinc/62/01/88/905620188.db2.gz HNXYKFGIYAMEHU-ZGFBMJKBSA-N 2 1 397.607 3.584 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000801583570 921162339 /nfs/dbraw/zinc/16/23/39/921162339.db2.gz ZWXCOXZYZHSPCL-FGZHOGPDSA-N 2 1 393.531 3.902 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000801583570 921162342 /nfs/dbraw/zinc/16/23/42/921162342.db2.gz ZWXCOXZYZHSPCL-FGZHOGPDSA-N 2 1 393.531 3.902 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639879 905702911 /nfs/dbraw/zinc/70/29/11/905702911.db2.gz GUXNAFBBKBXQHZ-FYQPLNBISA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639879 905702917 /nfs/dbraw/zinc/70/29/17/905702917.db2.gz GUXNAFBBKBXQHZ-FYQPLNBISA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639879 905702926 /nfs/dbraw/zinc/70/29/26/905702926.db2.gz GUXNAFBBKBXQHZ-FYQPLNBISA-N 2 1 379.589 3.828 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172650764 905714712 /nfs/dbraw/zinc/71/47/12/905714712.db2.gz PYWNMPJGYKUPIA-UHFFFAOYSA-N 2 1 385.593 3.549 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CC(C)(C)OC(C)(C)C3)CC2)c1 ZINC001172660220 905725040 /nfs/dbraw/zinc/72/50/40/905725040.db2.gz GJLOYFACLPDHAA-UHFFFAOYSA-N 2 1 388.552 3.763 20 0 GHADMP OC1C[NH+](Cc2ccc(Nc3ccc4c(c3)CC[C@H]([NH+]3CCCC3)CC4)cc2)C1 ZINC001212673023 905728448 /nfs/dbraw/zinc/72/84/48/905728448.db2.gz BWGFSRCFCOYUEJ-XMMPIXPASA-N 2 1 391.559 3.950 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)CC[C@H]1F ZINC001206172984 905752079 /nfs/dbraw/zinc/75/20/79/905752079.db2.gz DQRRJXVYDLCHIJ-HZPDHXFCSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)CC[C@H]1F ZINC001206172984 905752093 /nfs/dbraw/zinc/75/20/93/905752093.db2.gz DQRRJXVYDLCHIJ-HZPDHXFCSA-N 2 1 378.289 3.772 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1)C1CC[NH+](C)CC1 ZINC000628480856 906163636 /nfs/dbraw/zinc/16/36/36/906163636.db2.gz FUCUISKPIHRNNH-HXUWFJFHSA-N 2 1 379.548 3.912 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)CC1 ZINC001173109170 906194160 /nfs/dbraw/zinc/19/41/60/906194160.db2.gz GXGSVQPFGAMRSC-UHFFFAOYSA-N 2 1 385.600 3.812 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1 ZINC001173108774 906195193 /nfs/dbraw/zinc/19/51/93/906195193.db2.gz BDTZNLINLROTEQ-UBVWURDFSA-N 2 1 398.595 3.692 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 ZINC001173110121 906197017 /nfs/dbraw/zinc/19/70/17/906197017.db2.gz PCHGSNRBHSHRRV-DCCYDQLOSA-N 2 1 379.589 3.971 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)CC1 ZINC001173111345 906199025 /nfs/dbraw/zinc/19/90/25/906199025.db2.gz WNPAJRBKNWXWHF-NGICGMGXSA-N 2 1 375.582 3.830 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000177826579 906223521 /nfs/dbraw/zinc/22/35/21/906223521.db2.gz YFLQXYGYZCWFQO-JKSUJKDBSA-N 2 1 383.517 3.996 20 0 GHADMP CCSC[C@H](C)[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001173303089 906361128 /nfs/dbraw/zinc/36/11/28/906361128.db2.gz WROCLGBWPMOZGW-ICSRJNTNSA-N 2 1 377.598 3.526 20 0 GHADMP CC[N@H+]1CC[C@@H](N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)C1 ZINC001173374719 906403357 /nfs/dbraw/zinc/40/33/57/906403357.db2.gz MOOVCEWBEOBHNN-HSZRJFAPSA-N 2 1 375.560 3.878 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+]C3Cc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001173476723 906475327 /nfs/dbraw/zinc/47/53/27/906475327.db2.gz SWTLWJOESCZBID-UHFFFAOYSA-N 2 1 386.486 3.737 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1c(F)cccc1Cl ZINC000365911982 921245325 /nfs/dbraw/zinc/24/53/25/921245325.db2.gz MGZULSVBXYLWLH-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001173655319 906641248 /nfs/dbraw/zinc/64/12/48/906641248.db2.gz YQURSGKXMUQVAC-AVPLHRJTSA-N 2 1 390.527 3.685 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173704296 906653712 /nfs/dbraw/zinc/65/37/12/906653712.db2.gz VRDXMJUILGBRII-DEOSSOPVSA-N 2 1 394.559 3.823 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173770459 906687963 /nfs/dbraw/zinc/68/79/63/906687963.db2.gz ZTQKPWORRNDMDS-OALUTQOASA-N 2 1 381.923 3.546 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180140205 906698933 /nfs/dbraw/zinc/69/89/33/906698933.db2.gz PVULUVAMEKFTBL-LUQQLXLSSA-N 2 1 396.531 3.522 20 0 GHADMP Cc1ccc(F)cc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000180164248 906705036 /nfs/dbraw/zinc/70/50/36/906705036.db2.gz LTSQSXSAOAPWNB-UHFFFAOYSA-N 2 1 386.511 3.914 20 0 GHADMP COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000180909317 906874671 /nfs/dbraw/zinc/87/46/71/906874671.db2.gz GJSBKDDLLCHEME-MRXNPFEDSA-N 2 1 379.460 3.583 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000629602909 906897119 /nfs/dbraw/zinc/89/71/19/906897119.db2.gz XJACDKDJPMVEEU-HSZRJFAPSA-N 2 1 389.499 3.762 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000629602909 906897130 /nfs/dbraw/zinc/89/71/30/906897130.db2.gz XJACDKDJPMVEEU-HSZRJFAPSA-N 2 1 389.499 3.762 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000299310515 921288788 /nfs/dbraw/zinc/28/87/88/921288788.db2.gz GKDFIBLRWVSQDL-UHFFFAOYSA-N 2 1 391.515 3.891 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[NH+](C)C2CCC2)cc1)C[C@@H]1CCCCO1 ZINC000629977426 907082268 /nfs/dbraw/zinc/08/22/68/907082268.db2.gz FJTAHJUEAXQLNN-QFIPXVFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@H+](C)C2CCC2)cc1)C[C@@H]1CCCCO1 ZINC000629977426 907082287 /nfs/dbraw/zinc/08/22/87/907082287.db2.gz FJTAHJUEAXQLNN-QFIPXVFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1)C[C@@H]1CCCCO1 ZINC000629977426 907082304 /nfs/dbraw/zinc/08/23/04/907082304.db2.gz FJTAHJUEAXQLNN-QFIPXVFZSA-N 2 1 387.568 3.889 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(NC(C)=O)cc3)cc2)CC1 ZINC000181956203 907104938 /nfs/dbraw/zinc/10/49/38/907104938.db2.gz YJVWXBVHYLQCSD-LJQANCHMSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)s1 ZINC000182273923 907175360 /nfs/dbraw/zinc/17/53/60/907175360.db2.gz PRRIQXSSIXYGKB-BBRMVZONSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479789 907305425 /nfs/dbraw/zinc/30/54/25/907305425.db2.gz ZBISISUMQIGQDT-VAMGGRTRSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479789 907305446 /nfs/dbraw/zinc/30/54/46/907305446.db2.gz ZBISISUMQIGQDT-VAMGGRTRSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479789 907305464 /nfs/dbraw/zinc/30/54/64/907305464.db2.gz ZBISISUMQIGQDT-VAMGGRTRSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479789 907305478 /nfs/dbraw/zinc/30/54/78/907305478.db2.gz ZBISISUMQIGQDT-VAMGGRTRSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128167 907332081 /nfs/dbraw/zinc/33/20/81/907332081.db2.gz CLSUCGLIDVPAIT-AKIFATBCSA-N 2 1 383.580 3.524 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001175155660 907382835 /nfs/dbraw/zinc/38/28/35/907382835.db2.gz BWUMBOHONVMAEG-HSZRJFAPSA-N 2 1 385.596 3.618 20 0 GHADMP C[NH+]1CCN(Cc2ccccc2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001175506368 907594681 /nfs/dbraw/zinc/59/46/81/907594681.db2.gz WPFMNRPJOHWPHW-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2ccccc2NC2=CC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001175506368 907594693 /nfs/dbraw/zinc/59/46/93/907594693.db2.gz WPFMNRPJOHWPHW-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2ccccc2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001175506368 907594703 /nfs/dbraw/zinc/59/47/03/907594703.db2.gz WPFMNRPJOHWPHW-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP Cc1c(-c2cc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)on2)cnn1C ZINC000184504710 907596116 /nfs/dbraw/zinc/59/61/16/907596116.db2.gz IKDDSVUUDADWNA-UHFFFAOYSA-N 2 1 393.535 3.728 20 0 GHADMP OC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN(c2ccccc2)CC1 ZINC000631219491 907635466 /nfs/dbraw/zinc/63/54/66/907635466.db2.gz OTBQMTBENFFLSO-UHFFFAOYSA-N 2 1 393.575 3.662 20 0 GHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@]2(C1)C[NH+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690407 907695146 /nfs/dbraw/zinc/69/51/46/907695146.db2.gz XYJDVPAYHUVKGN-GMKZXUHWSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690407 907695151 /nfs/dbraw/zinc/69/51/51/907695151.db2.gz XYJDVPAYHUVKGN-GMKZXUHWSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690407 907695156 /nfs/dbraw/zinc/69/51/56/907695156.db2.gz XYJDVPAYHUVKGN-GMKZXUHWSA-N 2 1 385.596 3.615 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)n2)cc1F ZINC001175767159 907734101 /nfs/dbraw/zinc/73/41/01/907734101.db2.gz IHKRAPLVCDNFOY-QGZVFWFLSA-N 2 1 395.482 3.722 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000192755704 907881488 /nfs/dbraw/zinc/88/14/88/907881488.db2.gz RTTIXLFHHUPFGB-RPWUZVMVSA-N 2 1 387.612 3.771 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187039554 908025384 /nfs/dbraw/zinc/02/53/84/908025384.db2.gz HWXOZTAXYNCYRV-GOSISDBHSA-N 2 1 392.609 3.754 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177625636 908678389 /nfs/dbraw/zinc/67/83/89/908678389.db2.gz GNSNNTMOMYQTEW-CUDBPUKSSA-N 2 1 393.531 3.556 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177625636 908678405 /nfs/dbraw/zinc/67/84/05/908678405.db2.gz GNSNNTMOMYQTEW-CUDBPUKSSA-N 2 1 393.531 3.556 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177625636 908678417 /nfs/dbraw/zinc/67/84/17/908678417.db2.gz GNSNNTMOMYQTEW-CUDBPUKSSA-N 2 1 393.531 3.556 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177625636 908678425 /nfs/dbraw/zinc/67/84/25/908678425.db2.gz GNSNNTMOMYQTEW-CUDBPUKSSA-N 2 1 393.531 3.556 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001179338808 909497107 /nfs/dbraw/zinc/49/71/07/909497107.db2.gz OJDHWKVHRCRQEK-QUCCMNQESA-N 2 1 378.495 3.869 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001179338808 909497109 /nfs/dbraw/zinc/49/71/09/909497109.db2.gz OJDHWKVHRCRQEK-QUCCMNQESA-N 2 1 378.495 3.869 20 0 GHADMP COCCOC[C@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001179854348 909770564 /nfs/dbraw/zinc/77/05/64/909770564.db2.gz FGWUPRNXNJGJKA-UPVQGACJSA-N 2 1 388.596 3.910 20 0 GHADMP COCCOC[C@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001179854348 909770571 /nfs/dbraw/zinc/77/05/71/909770571.db2.gz FGWUPRNXNJGJKA-UPVQGACJSA-N 2 1 388.596 3.910 20 0 GHADMP COCCOC[C@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001179854348 909770582 /nfs/dbraw/zinc/77/05/82/909770582.db2.gz FGWUPRNXNJGJKA-UPVQGACJSA-N 2 1 388.596 3.910 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000637372848 909796219 /nfs/dbraw/zinc/79/62/19/909796219.db2.gz IWBJSSUPDUGORW-RYGJVYDSSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000637372848 909796223 /nfs/dbraw/zinc/79/62/23/909796223.db2.gz IWBJSSUPDUGORW-RYGJVYDSSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000637372848 909796235 /nfs/dbraw/zinc/79/62/35/909796235.db2.gz IWBJSSUPDUGORW-RYGJVYDSSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000637372848 909796241 /nfs/dbraw/zinc/79/62/41/909796241.db2.gz IWBJSSUPDUGORW-RYGJVYDSSA-N 2 1 396.526 3.517 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245998589 910042122 /nfs/dbraw/zinc/04/21/22/910042122.db2.gz DIWVAACQQYPTDL-IXDOHACOSA-N 2 1 390.547 3.556 20 0 GHADMP CC[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nnc2n1CCCCC2 ZINC000268850248 910044259 /nfs/dbraw/zinc/04/42/59/910044259.db2.gz OZRITOJGGVQUKA-XLIONFOSSA-N 2 1 385.556 3.747 20 0 GHADMP CC[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nnc2n1CCCCC2 ZINC000268850249 910044671 /nfs/dbraw/zinc/04/46/71/910044671.db2.gz OZRITOJGGVQUKA-YLJYHZDGSA-N 2 1 385.556 3.747 20 0 GHADMP COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001180302165 910057864 /nfs/dbraw/zinc/05/78/64/910057864.db2.gz TZUWWYOVFRYBMU-CIAQSOCLSA-N 2 1 384.564 3.999 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638374998 910135190 /nfs/dbraw/zinc/13/51/90/910135190.db2.gz UJOCMJXOJYLOOE-IRLDBZIGSA-N 2 1 399.560 3.516 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638374998 910135191 /nfs/dbraw/zinc/13/51/91/910135191.db2.gz UJOCMJXOJYLOOE-IRLDBZIGSA-N 2 1 399.560 3.516 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638386225 910141123 /nfs/dbraw/zinc/14/11/23/910141123.db2.gz LMRQHRHNXAIFRJ-RBUKOAKNSA-N 2 1 391.357 3.769 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC001274471467 910266201 /nfs/dbraw/zinc/26/62/01/910266201.db2.gz JNHLBUZINMGILD-CTNGQTDRSA-N 2 1 377.960 3.667 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639079729 910309201 /nfs/dbraw/zinc/30/92/01/910309201.db2.gz MIBPKJPUJYWARZ-ZDFPQIBNSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639079729 910309218 /nfs/dbraw/zinc/30/92/18/910309218.db2.gz MIBPKJPUJYWARZ-ZDFPQIBNSA-N 2 1 380.536 3.598 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c[nH]1 ZINC000639351580 910397299 /nfs/dbraw/zinc/39/72/99/910397299.db2.gz HVTSGQWIKOGBBM-LPOZWGFCSA-N 2 1 379.504 3.575 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c[nH]1 ZINC000639351580 910397305 /nfs/dbraw/zinc/39/73/05/910397305.db2.gz HVTSGQWIKOGBBM-LPOZWGFCSA-N 2 1 379.504 3.575 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3oc(-c4ccccc4)nc3C)CC2)CC1 ZINC000639689762 910613362 /nfs/dbraw/zinc/61/33/62/910613362.db2.gz YJCJXZVIVQWZET-UHFFFAOYSA-N 2 1 382.552 3.642 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1 ZINC001181485914 910816532 /nfs/dbraw/zinc/81/65/32/910816532.db2.gz KZCYAGAAHQLARP-SFHVURJKSA-N 2 1 397.510 3.825 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001181865545 911048416 /nfs/dbraw/zinc/04/84/16/911048416.db2.gz YEZGVCURIYLVHB-XZOQPEGZSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001181865545 911048433 /nfs/dbraw/zinc/04/84/33/911048433.db2.gz YEZGVCURIYLVHB-XZOQPEGZSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001181865545 911048455 /nfs/dbraw/zinc/04/84/55/911048455.db2.gz YEZGVCURIYLVHB-XZOQPEGZSA-N 2 1 385.596 3.869 20 0 GHADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001182042040 911144607 /nfs/dbraw/zinc/14/46/07/911144607.db2.gz SRAIPFJPHXYINM-JOCHJYFZSA-N 2 1 393.531 3.672 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182246331 911333277 /nfs/dbraw/zinc/33/32/77/911333277.db2.gz SXRTZFYICZAYGR-RJGXRXQPSA-N 2 1 379.548 3.849 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182246331 911333297 /nfs/dbraw/zinc/33/32/97/911333297.db2.gz SXRTZFYICZAYGR-RJGXRXQPSA-N 2 1 379.548 3.849 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC001182321664 911483719 /nfs/dbraw/zinc/48/37/19/911483719.db2.gz YWDYHFPGNMHXRO-JOCHJYFZSA-N 2 1 383.580 3.541 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774268456 911597520 /nfs/dbraw/zinc/59/75/20/911597520.db2.gz VAYDAROIBDZAOE-MZADTFQBSA-N 2 1 385.552 3.639 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008511 921745467 /nfs/dbraw/zinc/74/54/67/921745467.db2.gz LYWYMVRHHDXONX-OAQYLSRUSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008511 921745482 /nfs/dbraw/zinc/74/54/82/921745482.db2.gz LYWYMVRHHDXONX-OAQYLSRUSA-N 2 1 376.545 3.695 20 0 GHADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249422 915105023 /nfs/dbraw/zinc/10/50/23/915105023.db2.gz ZKWDUTUCPGDEQH-MSOLQXFVSA-N 2 1 389.337 3.893 20 0 GHADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249422 915105030 /nfs/dbraw/zinc/10/50/30/915105030.db2.gz ZKWDUTUCPGDEQH-MSOLQXFVSA-N 2 1 389.337 3.893 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000647344354 915167386 /nfs/dbraw/zinc/16/73/86/915167386.db2.gz OTWRVXLNOXQPPX-BWAGFHJFSA-N 2 1 398.547 3.716 20 0 GHADMP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480625 915295160 /nfs/dbraw/zinc/29/51/60/915295160.db2.gz VKODBZJFXLGLLK-LPHOPBHVSA-N 2 1 389.341 3.599 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480625 915295169 /nfs/dbraw/zinc/29/51/69/915295169.db2.gz VKODBZJFXLGLLK-LPHOPBHVSA-N 2 1 389.341 3.599 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000647900741 915430609 /nfs/dbraw/zinc/43/06/09/915430609.db2.gz FVRRPRCTACKQDP-XZOQPEGZSA-N 2 1 391.559 3.746 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000648168069 915530955 /nfs/dbraw/zinc/53/09/55/915530955.db2.gz RTGQATBLXIRTBU-BLIXFSHQSA-N 2 1 385.939 3.757 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649101920 916020574 /nfs/dbraw/zinc/02/05/74/916020574.db2.gz MKOKUEPORPWOBV-QUCCMNQESA-N 2 1 391.515 3.570 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4nnc(C5CC5)n4C4CC4)C3)CC2)cc1 ZINC000293217604 916065781 /nfs/dbraw/zinc/06/57/81/916065781.db2.gz GQYBIBCEJGKGNF-UHFFFAOYSA-N 2 1 391.563 3.979 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4nnc(C5CC5)n4C4CC4)C3)CC2)cc1 ZINC000293217604 916065797 /nfs/dbraw/zinc/06/57/97/916065797.db2.gz GQYBIBCEJGKGNF-UHFFFAOYSA-N 2 1 391.563 3.979 20 0 GHADMP CCCCOc1ccc(NC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001189294882 916515702 /nfs/dbraw/zinc/51/57/02/916515702.db2.gz BFUKOMZANIIVHS-UHFFFAOYSA-N 2 1 383.496 3.656 20 0 GHADMP CCO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OCC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000649992113 916603318 /nfs/dbraw/zinc/60/33/18/916603318.db2.gz HHNICJMLEICWRY-DHNNRRLOSA-N 2 1 389.584 3.575 20 0 GHADMP CCO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OCC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000649992113 916603336 /nfs/dbraw/zinc/60/33/36/916603336.db2.gz HHNICJMLEICWRY-DHNNRRLOSA-N 2 1 389.584 3.575 20 0 GHADMP CCO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OCC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000649992113 916603357 /nfs/dbraw/zinc/60/33/57/916603357.db2.gz HHNICJMLEICWRY-DHNNRRLOSA-N 2 1 389.584 3.575 20 0 GHADMP Brc1ccccc1CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000362276630 917182930 /nfs/dbraw/zinc/18/29/30/917182930.db2.gz HTVLYERFUOQTRE-RBUKOAKNSA-N 2 1 392.385 3.630 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000650705744 917244137 /nfs/dbraw/zinc/24/41/37/917244137.db2.gz UIKLLASFOXLQNJ-WMTXJRDZSA-N 2 1 380.532 3.984 20 0 GHADMP O=C(CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000295292885 917254218 /nfs/dbraw/zinc/25/42/18/917254218.db2.gz LRRQLGOOMIEZJB-XMMPIXPASA-N 2 1 391.559 3.542 20 0 GHADMP O=C(CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000295292885 917254224 /nfs/dbraw/zinc/25/42/24/917254224.db2.gz LRRQLGOOMIEZJB-XMMPIXPASA-N 2 1 391.559 3.542 20 0 GHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)ccc1OC ZINC000775398426 917441444 /nfs/dbraw/zinc/44/14/44/917441444.db2.gz YMGMTVKPLXSESD-OAHLLOKOSA-N 2 1 376.570 3.910 20 0 GHADMP C[N@H+](CCCO)C1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC001191004766 917701120 /nfs/dbraw/zinc/70/11/20/917701120.db2.gz PRDAYPYSZZAFSS-UHFFFAOYSA-N 2 1 388.474 3.643 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC001191004766 917701126 /nfs/dbraw/zinc/70/11/26/917701126.db2.gz PRDAYPYSZZAFSS-UHFFFAOYSA-N 2 1 388.474 3.643 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000652347136 917876842 /nfs/dbraw/zinc/87/68/42/917876842.db2.gz SPPCECTYJMDKAX-PABCKOPISA-N 2 1 393.531 3.585 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652362687 917882611 /nfs/dbraw/zinc/88/26/11/917882611.db2.gz MSPNXNGADKVPSY-ZTNFWEORSA-N 2 1 387.549 3.680 20 0 GHADMP COC(=O)c1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001191380716 917943527 /nfs/dbraw/zinc/94/35/27/917943527.db2.gz ABRBHTXAPRBMDK-PZJWPPBQSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001191380716 917943534 /nfs/dbraw/zinc/94/35/34/917943534.db2.gz ABRBHTXAPRBMDK-PZJWPPBQSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001191380716 917943537 /nfs/dbraw/zinc/94/35/37/917943537.db2.gz ABRBHTXAPRBMDK-PZJWPPBQSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001191380716 917943542 /nfs/dbraw/zinc/94/35/42/917943542.db2.gz ABRBHTXAPRBMDK-PZJWPPBQSA-N 2 1 396.531 3.837 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653119481 918132012 /nfs/dbraw/zinc/13/20/12/918132012.db2.gz LEGUPBVDRBXBSX-RTBURBONSA-N 2 1 396.362 3.605 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000653121389 918133568 /nfs/dbraw/zinc/13/35/68/918133568.db2.gz STVZMRUYEBDKDL-SCTDSRPQSA-N 2 1 397.485 3.594 20 0 GHADMP CCN(CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000775502420 918456590 /nfs/dbraw/zinc/45/65/90/918456590.db2.gz WFPFFWSAEGGKDN-QUCCMNQESA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381776689 919690001 /nfs/dbraw/zinc/69/00/01/919690001.db2.gz DJYSFZFTYZOLDK-NLWGTHIKSA-N 2 1 375.557 3.647 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000800353594 919949996 /nfs/dbraw/zinc/94/99/96/919949996.db2.gz VMOKFGRRXVKCRP-GOSISDBHSA-N 2 1 379.589 3.830 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(C[NH+]2CC[C@]3(C2)CCCOC3)c1 ZINC000367450699 922112904 /nfs/dbraw/zinc/11/29/04/922112904.db2.gz PEGDAUSIMMMYPU-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c(C[NH+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367450699 922112915 /nfs/dbraw/zinc/11/29/15/922112915.db2.gz PEGDAUSIMMMYPU-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(C[NH+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367450699 922112921 /nfs/dbraw/zinc/11/29/21/922112921.db2.gz PEGDAUSIMMMYPU-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3COc4ccccc4C3)CC2)oc1C ZINC000902799933 922503909 /nfs/dbraw/zinc/50/39/09/922503909.db2.gz HYNAIQKQXDBDNC-UWJYYQICSA-N 2 1 383.536 3.733 20 0 GHADMP CCOc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCOCC2)cc1 ZINC000903076389 922751977 /nfs/dbraw/zinc/75/19/77/922751977.db2.gz OOMOISUZPMIGNB-XDNSSPFJSA-N 2 1 384.564 3.881 20 0 GHADMP CC[C@@H](C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1)c1ccccc1 ZINC000903087809 922762645 /nfs/dbraw/zinc/76/26/45/922762645.db2.gz VFUFSACRYJABDK-VTAUTDEMSA-N 2 1 395.591 3.919 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199837 922848767 /nfs/dbraw/zinc/84/87/67/922848767.db2.gz NHQPRYVRIJZIDA-ZJSXRUAMSA-N 2 1 398.522 3.650 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000369521582 923392503 /nfs/dbraw/zinc/39/25/03/923392503.db2.gz UYLIIHLQZPXACD-DENIHFKCSA-N 2 1 377.492 3.685 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000369521582 923392519 /nfs/dbraw/zinc/39/25/19/923392519.db2.gz UYLIIHLQZPXACD-DENIHFKCSA-N 2 1 377.492 3.685 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(-c4ccco4)on3)CC2)CC1 ZINC000371150382 924450532 /nfs/dbraw/zinc/45/05/32/924450532.db2.gz DTNCSFLYQVROML-UHFFFAOYSA-N 2 1 386.540 3.563 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(-c4ccco4)on3)CC2)CC1 ZINC000371150382 924450536 /nfs/dbraw/zinc/45/05/36/924450536.db2.gz DTNCSFLYQVROML-UHFFFAOYSA-N 2 1 386.540 3.563 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806744 924505848 /nfs/dbraw/zinc/50/58/48/924505848.db2.gz MGGTVGGPTVHFJK-MZYLBHOOSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806744 924505851 /nfs/dbraw/zinc/50/58/51/924505851.db2.gz MGGTVGGPTVHFJK-MZYLBHOOSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806744 924505858 /nfs/dbraw/zinc/50/58/58/924505858.db2.gz MGGTVGGPTVHFJK-MZYLBHOOSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806744 924505863 /nfs/dbraw/zinc/50/58/63/924505863.db2.gz MGGTVGGPTVHFJK-MZYLBHOOSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806744 924505868 /nfs/dbraw/zinc/50/58/68/924505868.db2.gz MGGTVGGPTVHFJK-MZYLBHOOSA-N 2 1 387.612 3.766 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000678234578 924679258 /nfs/dbraw/zinc/67/92/58/924679258.db2.gz MKCYMBAHELJFFT-UHFFFAOYSA-N 3 1 395.591 3.971 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678258854 924693050 /nfs/dbraw/zinc/69/30/50/924693050.db2.gz PQGUYYBMVRKEJZ-QHCPKHFHSA-N 2 1 379.548 3.574 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258854 924693053 /nfs/dbraw/zinc/69/30/53/924693053.db2.gz PQGUYYBMVRKEJZ-QHCPKHFHSA-N 2 1 379.548 3.574 20 0 GHADMP CC(C)N1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116196 925033977 /nfs/dbraw/zinc/03/39/77/925033977.db2.gz OSMYABDEUYIFHY-IPMKNSEASA-N 2 1 381.923 3.603 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394880 925122807 /nfs/dbraw/zinc/12/28/07/925122807.db2.gz RJLOUTGWGAFRTA-CWBXHPNXSA-N 2 1 381.564 3.563 20 0 GHADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)C ZINC000680037298 925337822 /nfs/dbraw/zinc/33/78/22/925337822.db2.gz FSJNZWLBAJZHKL-XXTHSBEZSA-N 2 1 385.596 3.911 20 0 GHADMP O=c1[nH]c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2[nH]1 ZINC000680335708 925447523 /nfs/dbraw/zinc/44/75/23/925447523.db2.gz VGIXENCFXSBVAI-XUVXKRRUSA-N 2 1 376.504 3.659 20 0 GHADMP CC[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[N@@H+]1Cc1ccccc1 ZINC000680547014 925512308 /nfs/dbraw/zinc/51/23/08/925512308.db2.gz IQKUWNPVHWKMPH-FQEVSTJZSA-N 2 1 383.536 3.858 20 0 GHADMP CC[C@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[N@H+]1Cc1ccccc1 ZINC000680547014 925512316 /nfs/dbraw/zinc/51/23/16/925512316.db2.gz IQKUWNPVHWKMPH-FQEVSTJZSA-N 2 1 383.536 3.858 20 0 GHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446870 925817295 /nfs/dbraw/zinc/81/72/95/925817295.db2.gz NSZYGGSMWSVVGY-HSZRJFAPSA-N 2 1 385.552 3.507 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446870 925817304 /nfs/dbraw/zinc/81/73/04/925817304.db2.gz NSZYGGSMWSVVGY-HSZRJFAPSA-N 2 1 385.552 3.507 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446870 925817313 /nfs/dbraw/zinc/81/73/13/925817313.db2.gz NSZYGGSMWSVVGY-HSZRJFAPSA-N 2 1 385.552 3.507 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446870 925817322 /nfs/dbraw/zinc/81/73/22/925817322.db2.gz NSZYGGSMWSVVGY-HSZRJFAPSA-N 2 1 385.552 3.507 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000827622318 925843446 /nfs/dbraw/zinc/84/34/46/925843446.db2.gz VGISHZWJZINICE-JPMGXVIASA-N 2 1 394.515 3.858 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000827622318 925843448 /nfs/dbraw/zinc/84/34/48/925843448.db2.gz VGISHZWJZINICE-JPMGXVIASA-N 2 1 394.515 3.858 20 0 GHADMP CC(CCN1CCC[C@@H]([NH+]2CCCC2)C1)CC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000411172532 926159464 /nfs/dbraw/zinc/15/94/64/926159464.db2.gz MAFKYKRHBZSPNF-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CCC[C@@H]([NH+]2CCCC2)C1)CC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000411172532 926159465 /nfs/dbraw/zinc/15/94/65/926159465.db2.gz MAFKYKRHBZSPNF-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP O=C1CC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]2N1C1CC1 ZINC000411402333 926363219 /nfs/dbraw/zinc/36/32/19/926363219.db2.gz ZZCVBZZUURVZLB-JTHBVZDNSA-N 2 1 381.564 3.648 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 ZINC000411480476 926446747 /nfs/dbraw/zinc/44/67/47/926446747.db2.gz VWVKZRZPVOTRKN-VFNWGFHPSA-N 2 1 378.451 3.776 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1sccc1C1CC1 ZINC000374206086 926897889 /nfs/dbraw/zinc/89/78/89/926897889.db2.gz CIEAWNOALSUHFT-UHFFFAOYSA-N 2 1 389.609 3.894 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000749590365 927204768 /nfs/dbraw/zinc/20/47/68/927204768.db2.gz QPYILIOZGDPIEC-NRDMVMEKSA-N 2 1 387.568 3.727 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000374604104 927329164 /nfs/dbraw/zinc/32/91/64/927329164.db2.gz OHJORZQRIBKAFH-DEOSSOPVSA-N 2 1 392.591 3.936 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000374604104 927329177 /nfs/dbraw/zinc/32/91/77/927329177.db2.gz OHJORZQRIBKAFH-DEOSSOPVSA-N 2 1 392.591 3.936 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000466912263 928498272 /nfs/dbraw/zinc/49/82/72/928498272.db2.gz HFBQVADPDNEGTD-XQBPLPMBSA-N 2 1 387.568 3.601 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000543870347 928515961 /nfs/dbraw/zinc/51/59/61/928515961.db2.gz ZXIKLUSSGJMNFV-INIZCTEOSA-N 2 1 380.602 3.921 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000752004834 928544140 /nfs/dbraw/zinc/54/41/40/928544140.db2.gz YVBQDHOXAPNJEX-RPWUZVMVSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000752004834 928544142 /nfs/dbraw/zinc/54/41/42/928544142.db2.gz YVBQDHOXAPNJEX-RPWUZVMVSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000752004834 928544153 /nfs/dbraw/zinc/54/41/53/928544153.db2.gz YVBQDHOXAPNJEX-RPWUZVMVSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000752004834 928544162 /nfs/dbraw/zinc/54/41/62/928544162.db2.gz YVBQDHOXAPNJEX-RPWUZVMVSA-N 2 1 392.543 3.889 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000544435725 929179982 /nfs/dbraw/zinc/17/99/82/929179982.db2.gz ZDOVVAOOHCVGJR-ISHFTEKXSA-N 2 1 379.548 3.547 20 0 GHADMP CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000467717942 929334395 /nfs/dbraw/zinc/33/43/95/929334395.db2.gz JCNIRNOZBSMFCC-IMFGXOCKSA-N 2 1 397.485 3.737 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000753547374 929405270 /nfs/dbraw/zinc/40/52/70/929405270.db2.gz PLKGPGZFEZCCIY-SJLPKXTDSA-N 2 1 399.539 3.701 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000544697105 929459059 /nfs/dbraw/zinc/45/90/59/929459059.db2.gz JZNBUQMBQJRRFW-GOSISDBHSA-N 2 1 376.907 3.694 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469261273 929744565 /nfs/dbraw/zinc/74/45/65/929744565.db2.gz UWIIKFVGLBLHBY-LJQANCHMSA-N 2 1 386.499 3.594 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469261273 929744569 /nfs/dbraw/zinc/74/45/69/929744569.db2.gz UWIIKFVGLBLHBY-LJQANCHMSA-N 2 1 386.499 3.594 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1F ZINC000759043109 930254814 /nfs/dbraw/zinc/25/48/14/930254814.db2.gz HDVFQHSTISQSBD-IBGZPJMESA-N 2 1 377.822 3.936 20 0 GHADMP CCOC(=O)[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000470157625 930416545 /nfs/dbraw/zinc/41/65/45/930416545.db2.gz ZUGVKHBKVKVEDZ-XMMPIXPASA-N 2 1 380.532 3.762 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000759765916 930482283 /nfs/dbraw/zinc/48/22/83/930482283.db2.gz RGQVBEWGYJKHIJ-QGZVFWFLSA-N 2 1 398.320 3.793 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000759765916 930482287 /nfs/dbraw/zinc/48/22/87/930482287.db2.gz RGQVBEWGYJKHIJ-QGZVFWFLSA-N 2 1 398.320 3.793 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470373495 930568812 /nfs/dbraw/zinc/56/88/12/930568812.db2.gz MUXQZHCTRTZRCP-JXFKEZNVSA-N 2 1 387.886 3.505 20 0 GHADMP C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781403661 930832668 /nfs/dbraw/zinc/83/26/68/930832668.db2.gz ZVFITGSTTZMPBC-NQIIRXRSSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]([NH2+]C1(CNc2cc[nH+]cc2Br)CCOCC1)c1ccccc1 ZINC000547504052 931077396 /nfs/dbraw/zinc/07/73/96/931077396.db2.gz NYTNTKJSLDYNSB-OAHLLOKOSA-N 2 1 390.325 3.578 20 0 GHADMP C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000782550705 931266879 /nfs/dbraw/zinc/26/68/79/931266879.db2.gz GDAMICMAFHSBIM-QHCPKHFHSA-N 2 1 395.934 3.957 20 0 GHADMP CCCOc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000557342963 931358096 /nfs/dbraw/zinc/35/80/96/931358096.db2.gz RXXFHJKHVQPDMF-BGYRXZFFSA-N 2 1 390.568 3.566 20 0 GHADMP CCCOc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000557342963 931358106 /nfs/dbraw/zinc/35/81/06/931358106.db2.gz RXXFHJKHVQPDMF-BGYRXZFFSA-N 2 1 390.568 3.566 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000782948565 931372758 /nfs/dbraw/zinc/37/27/58/931372758.db2.gz LCQQYFVUWKDFJY-WIYYLYMNSA-N 2 1 385.552 3.505 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000782948565 931372761 /nfs/dbraw/zinc/37/27/61/931372761.db2.gz LCQQYFVUWKDFJY-WIYYLYMNSA-N 2 1 385.552 3.505 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000782948565 931372769 /nfs/dbraw/zinc/37/27/69/931372769.db2.gz LCQQYFVUWKDFJY-WIYYLYMNSA-N 2 1 385.552 3.505 20 0 GHADMP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000924529934 931411845 /nfs/dbraw/zinc/41/18/45/931411845.db2.gz UDDWVODHMWTTPR-HXOBKFHXSA-N 2 1 383.511 3.646 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)c1 ZINC000924876057 931570451 /nfs/dbraw/zinc/57/04/51/931570451.db2.gz ZSRZBMLEIONKNN-QZTJIDSGSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)c1 ZINC000924876057 931570456 /nfs/dbraw/zinc/57/04/56/931570456.db2.gz ZSRZBMLEIONKNN-QZTJIDSGSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)c1 ZINC000924876056 931570717 /nfs/dbraw/zinc/57/07/17/931570717.db2.gz ZSRZBMLEIONKNN-MSOLQXFVSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)c1 ZINC000924876056 931570724 /nfs/dbraw/zinc/57/07/24/931570724.db2.gz ZSRZBMLEIONKNN-MSOLQXFVSA-N 2 1 381.549 3.892 20 0 GHADMP COc1ccccc1[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccn1 ZINC000925439053 931782514 /nfs/dbraw/zinc/78/25/14/931782514.db2.gz HRKFGGKBVGPZJK-PWHSHALESA-N 2 1 383.536 3.659 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000925538936 931815467 /nfs/dbraw/zinc/81/54/67/931815467.db2.gz UOYMSEZBRLTWHT-JXALWOEJSA-N 3 1 381.564 3.866 20 0 GHADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000925538936 931815474 /nfs/dbraw/zinc/81/54/74/931815474.db2.gz UOYMSEZBRLTWHT-JXALWOEJSA-N 2 1 381.564 3.866 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784507253 931917222 /nfs/dbraw/zinc/91/72/22/931917222.db2.gz UOQZOSRYFRUXBA-GBESFXJTSA-N 2 1 376.545 3.597 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784507253 931917228 /nfs/dbraw/zinc/91/72/28/931917228.db2.gz UOQZOSRYFRUXBA-GBESFXJTSA-N 2 1 376.545 3.597 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(Br)n3)C2)nc(C)[nH+]1 ZINC000925828403 931917402 /nfs/dbraw/zinc/91/74/02/931917402.db2.gz FYFSXZPKOOJKIV-ZFWWWQNUSA-N 2 1 390.329 3.571 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000558316546 931938203 /nfs/dbraw/zinc/93/82/03/931938203.db2.gz LLXJFMUAUKAURU-IFMALSPDSA-N 2 1 388.600 3.517 20 0 GHADMP Cc1cc2ccccc2c(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000926133292 932060691 /nfs/dbraw/zinc/06/06/91/932060691.db2.gz NYFXWXUFAUWYNQ-BGYRXZFFSA-N 2 1 378.520 3.581 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[C@@H]2CCC[C@H]21 ZINC000796947111 932118423 /nfs/dbraw/zinc/11/84/23/932118423.db2.gz HWMNQMRRUIWMIJ-PCCBWWKXSA-N 2 1 385.552 3.900 20 0 GHADMP COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000558725898 932195486 /nfs/dbraw/zinc/19/54/86/932195486.db2.gz UIXRXUUVXUWSEB-IBGZPJMESA-N 2 1 395.547 3.519 20 0 GHADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000558725898 932195492 /nfs/dbraw/zinc/19/54/92/932195492.db2.gz UIXRXUUVXUWSEB-IBGZPJMESA-N 2 1 395.547 3.519 20 0 GHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000558819272 932253310 /nfs/dbraw/zinc/25/33/10/932253310.db2.gz UWEQODUYSNBQIJ-QGZVFWFLSA-N 2 1 383.561 3.521 20 0 GHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000558819272 932253313 /nfs/dbraw/zinc/25/33/13/932253313.db2.gz UWEQODUYSNBQIJ-QGZVFWFLSA-N 2 1 383.561 3.521 20 0 GHADMP Cc1cccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccn2)c1 ZINC000926691686 932274165 /nfs/dbraw/zinc/27/41/65/932274165.db2.gz URYBYNFQYGCUGK-UKILVPOCSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1cccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccn2)c1 ZINC000926691686 932274169 /nfs/dbraw/zinc/27/41/69/932274169.db2.gz URYBYNFQYGCUGK-UKILVPOCSA-N 2 1 387.527 3.836 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(OC)ccc2F)CC1 ZINC000559259829 932560566 /nfs/dbraw/zinc/56/05/66/932560566.db2.gz GOHIKPOQCZJQOI-INIZCTEOSA-N 2 1 389.490 3.966 20 0 GHADMP Cc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000798498399 932673576 /nfs/dbraw/zinc/67/35/76/932673576.db2.gz RJJUCWUCOUMQRJ-QHCPKHFHSA-N 2 1 375.520 3.578 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC1)CC1CC1 ZINC000626347750 932782586 /nfs/dbraw/zinc/78/25/86/932782586.db2.gz GSNQXEVBJUXRBG-BJKOFHAPSA-N 2 1 397.607 3.692 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1)CC1CC1 ZINC000626347750 932782594 /nfs/dbraw/zinc/78/25/94/932782594.db2.gz GSNQXEVBJUXRBG-BJKOFHAPSA-N 2 1 397.607 3.692 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1)CC1CC1 ZINC000626347750 932782599 /nfs/dbraw/zinc/78/25/99/932782599.db2.gz GSNQXEVBJUXRBG-BJKOFHAPSA-N 2 1 397.607 3.692 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935493 932822905 /nfs/dbraw/zinc/82/29/05/932822905.db2.gz PNJXGBKIGGCFPL-TXTKFYIRSA-N 2 1 387.568 3.934 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000559741440 932829654 /nfs/dbraw/zinc/82/96/54/932829654.db2.gz MEQJIUBGTJOBMQ-XZOQPEGZSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000559741440 932829655 /nfs/dbraw/zinc/82/96/55/932829655.db2.gz MEQJIUBGTJOBMQ-XZOQPEGZSA-N 2 1 377.532 3.734 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000798953605 932835678 /nfs/dbraw/zinc/83/56/78/932835678.db2.gz ILPHOJFWPDXFMS-IMSXRSKXSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000798953605 932835682 /nfs/dbraw/zinc/83/56/82/932835682.db2.gz ILPHOJFWPDXFMS-IMSXRSKXSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000798953605 932835684 /nfs/dbraw/zinc/83/56/84/932835684.db2.gz ILPHOJFWPDXFMS-IMSXRSKXSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177056 932898344 /nfs/dbraw/zinc/89/83/44/932898344.db2.gz JNVDDHUPHYQJAQ-MRXNPFEDSA-N 2 1 395.950 3.634 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCc3nc4sc5c(c4c(N)n3)CCCC5)C2)CC1 ZINC000799178384 932900884 /nfs/dbraw/zinc/90/08/84/932900884.db2.gz OZOGSJSGOCINSN-UHFFFAOYSA-N 2 1 399.608 3.503 20 0 GHADMP COC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000559857527 932912040 /nfs/dbraw/zinc/91/20/40/932912040.db2.gz QVBBFXUVBJXXDJ-JRFVFWCSSA-N 2 1 380.532 3.526 20 0 GHADMP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000559857527 932912047 /nfs/dbraw/zinc/91/20/47/932912047.db2.gz QVBBFXUVBJXXDJ-JRFVFWCSSA-N 2 1 380.532 3.526 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C4CCC4)cc3)c2)C1 ZINC000560063051 933044334 /nfs/dbraw/zinc/04/43/34/933044334.db2.gz NBSOCWZCKZOMCS-DEOSSOPVSA-N 2 1 391.559 3.941 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@H]1Oc1ccccc1 ZINC000560233186 933145767 /nfs/dbraw/zinc/14/57/67/933145767.db2.gz KXRLNQZDJMAYFY-MDNUFGMLSA-N 2 1 380.532 3.589 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066819 933315977 /nfs/dbraw/zinc/31/59/77/933315977.db2.gz VBAPZRBQJVTPLD-RBUKOAKNSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066819 933315980 /nfs/dbraw/zinc/31/59/80/933315980.db2.gz VBAPZRBQJVTPLD-RBUKOAKNSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066819 933315987 /nfs/dbraw/zinc/31/59/87/933315987.db2.gz VBAPZRBQJVTPLD-RBUKOAKNSA-N 2 1 397.485 3.660 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000560538240 933322944 /nfs/dbraw/zinc/32/29/44/933322944.db2.gz QOTNYRKVPPBRDZ-XPWALMASSA-N 2 1 392.547 3.820 20 0 GHADMP NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000560537907 933323223 /nfs/dbraw/zinc/32/32/23/933323223.db2.gz VBPKXSRGCFRDGI-RBZQAINGSA-N 2 1 391.559 3.608 20 0 GHADMP COc1cccc2c1CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001116920429 933828821 /nfs/dbraw/zinc/82/88/21/933828821.db2.gz CDMGZCJBIVUJBS-HSZRJFAPSA-N 2 1 379.548 3.610 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561144950 933913997 /nfs/dbraw/zinc/91/39/97/933913997.db2.gz SRBDEHUQKYMXEF-HSZRJFAPSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561144950 933914000 /nfs/dbraw/zinc/91/40/00/933914000.db2.gz SRBDEHUQKYMXEF-HSZRJFAPSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561144950 933914008 /nfs/dbraw/zinc/91/40/08/933914008.db2.gz SRBDEHUQKYMXEF-HSZRJFAPSA-N 2 1 379.548 3.665 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001117712969 933992411 /nfs/dbraw/zinc/99/24/11/933992411.db2.gz DGBZHDGIKNOKKE-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001117712969 933992415 /nfs/dbraw/zinc/99/24/15/933992415.db2.gz DGBZHDGIKNOKKE-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001117712969 933992425 /nfs/dbraw/zinc/99/24/25/933992425.db2.gz DGBZHDGIKNOKKE-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001118821499 934256157 /nfs/dbraw/zinc/25/61/57/934256157.db2.gz HDTACUNXSFBOKW-HXUWFJFHSA-N 2 1 377.960 3.637 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001118821499 934256164 /nfs/dbraw/zinc/25/61/64/934256164.db2.gz HDTACUNXSFBOKW-HXUWFJFHSA-N 2 1 377.960 3.637 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581042 934286142 /nfs/dbraw/zinc/28/61/42/934286142.db2.gz KSAOMJIOARPVQK-JXFKEZNVSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581042 934286151 /nfs/dbraw/zinc/28/61/51/934286151.db2.gz KSAOMJIOARPVQK-JXFKEZNVSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581042 934286156 /nfs/dbraw/zinc/28/61/56/934286156.db2.gz KSAOMJIOARPVQK-JXFKEZNVSA-N 2 1 392.975 3.506 20 0 GHADMP CC1(C)C[N@H+](Cc2noc3c2COCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931084575 934367967 /nfs/dbraw/zinc/36/79/67/934367967.db2.gz QMYJKDRGOQGXRB-QHCPKHFHSA-N 2 1 395.547 3.870 20 0 GHADMP CC1(C)C[N@@H+](Cc2noc3c2COCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931084575 934367978 /nfs/dbraw/zinc/36/79/78/934367978.db2.gz QMYJKDRGOQGXRB-QHCPKHFHSA-N 2 1 395.547 3.870 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561984508 934607407 /nfs/dbraw/zinc/60/74/07/934607407.db2.gz KBJAVOBVCVCRGZ-AZUAARDMSA-N 2 1 383.939 3.851 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561984508 934607410 /nfs/dbraw/zinc/60/74/10/934607410.db2.gz KBJAVOBVCVCRGZ-AZUAARDMSA-N 2 1 383.939 3.851 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1F ZINC001137674702 935697772 /nfs/dbraw/zinc/69/77/72/935697772.db2.gz DLKSSVSLJKVCLO-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP Fc1ccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC001137742625 935762794 /nfs/dbraw/zinc/76/27/94/935762794.db2.gz ASMRQHGVXLFRIL-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP Cc1cccc(C)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001137849299 935823237 /nfs/dbraw/zinc/82/32/37/935823237.db2.gz KVUQYLITDWITCI-QFIPXVFZSA-N 2 1 379.548 3.954 20 0 GHADMP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001626078725 1014860285 /nfs/dbraw/zinc/86/02/85/1014860285.db2.gz COAIHDHIRYNFHY-OAQYLSRUSA-N 2 1 395.547 3.650 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467972863 1015086688 /nfs/dbraw/zinc/08/66/88/1015086688.db2.gz HHRJPNODUQAPCW-NRFANRHFSA-N 2 1 382.552 3.986 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468026562 1015162977 /nfs/dbraw/zinc/16/29/77/1015162977.db2.gz VHTHLQKXOIDZIW-PDGJWGCVSA-N 2 1 386.584 3.678 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN(Cc2ccccc2)C1 ZINC000468513428 1015767141 /nfs/dbraw/zinc/76/71/41/1015767141.db2.gz DFCALAQMSHCQKL-GGAORHGYSA-N 2 1 385.596 3.522 20 0 GHADMP CC[C@@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@H+]1Cc1ccccc1 ZINC000545548085 1016020571 /nfs/dbraw/zinc/02/05/71/1016020571.db2.gz IUZDYJGPVIKPSZ-JOCHJYFZSA-N 2 1 375.520 3.672 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CCOCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470950400 1016928213 /nfs/dbraw/zinc/92/82/13/1016928213.db2.gz XUTJLCGFYJVAHQ-KPWCQOOUSA-N 2 1 376.385 3.548 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOCC[NH+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470950400 1016928216 /nfs/dbraw/zinc/92/82/16/1016928216.db2.gz XUTJLCGFYJVAHQ-KPWCQOOUSA-N 2 1 376.385 3.548 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOCC[NH+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470950400 1016928223 /nfs/dbraw/zinc/92/82/23/1016928223.db2.gz XUTJLCGFYJVAHQ-KPWCQOOUSA-N 2 1 376.385 3.548 20 0 GHADMP CCc1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)n1 ZINC000557705839 1017032079 /nfs/dbraw/zinc/03/20/79/1017032079.db2.gz YCYAETSSACGSOH-ROUUACIJSA-N 2 1 393.601 3.506 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC001220883228 1032172300 /nfs/dbraw/zinc/17/23/00/1032172300.db2.gz KLJFSWCXGYPOTK-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001220883228 1032172304 /nfs/dbraw/zinc/17/23/04/1032172304.db2.gz KLJFSWCXGYPOTK-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001220883228 1032172311 /nfs/dbraw/zinc/17/23/11/1032172311.db2.gz KLJFSWCXGYPOTK-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC001220883002 1032173477 /nfs/dbraw/zinc/17/34/77/1032173477.db2.gz FQTDQGGGLXFDFF-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC001220883002 1032173485 /nfs/dbraw/zinc/17/34/85/1032173485.db2.gz FQTDQGGGLXFDFF-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC001220883002 1032173491 /nfs/dbraw/zinc/17/34/91/1032173491.db2.gz FQTDQGGGLXFDFF-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1csc2sc(C[N@@H+]3CC[C@@]4(CCN(CC[NH+](C)C)C4=O)C3)c(C)c12 ZINC001277201162 1032382593 /nfs/dbraw/zinc/38/25/93/1032382593.db2.gz QWVXYXYESQWKRG-HXUWFJFHSA-N 2 1 391.606 3.566 20 0 GHADMP CSc1cccnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155365062 1032521034 /nfs/dbraw/zinc/52/10/34/1032521034.db2.gz ZKCNHBAXNJQTNN-LJQANCHMSA-N 2 1 382.577 3.717 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000559267502 1017410682 /nfs/dbraw/zinc/41/06/82/1017410682.db2.gz RCPARBUUYOZAHD-HSZRJFAPSA-N 2 1 383.580 3.873 20 0 GHADMP COc1ccc(CC[N@@H+](C)Cc2ccc(OCCC[NH+](C)C)cc2)cc1OC ZINC001204266270 1032709891 /nfs/dbraw/zinc/70/98/91/1032709891.db2.gz MSYYZZSKTWZSCS-UHFFFAOYSA-N 2 1 386.536 3.709 20 0 GHADMP O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560527219 1017653366 /nfs/dbraw/zinc/65/33/66/1017653366.db2.gz AUJBXJIBFTXROS-RJGXRXQPSA-N 2 1 383.580 3.669 20 0 GHADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@]2(C)C1 ZINC000931309250 1017956525 /nfs/dbraw/zinc/95/65/25/1017956525.db2.gz XMEWQFZWBWUDOG-PSWAGMNNSA-N 2 1 377.532 3.956 20 0 GHADMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@]2(C)C1 ZINC000931309250 1017956533 /nfs/dbraw/zinc/95/65/33/1017956533.db2.gz XMEWQFZWBWUDOG-PSWAGMNNSA-N 2 1 377.532 3.956 20 0 GHADMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@]2(C)C1 ZINC000931309250 1017956536 /nfs/dbraw/zinc/95/65/36/1017956536.db2.gz XMEWQFZWBWUDOG-PSWAGMNNSA-N 2 1 377.532 3.956 20 0 GHADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@]2(C)C1 ZINC000931309250 1017956540 /nfs/dbraw/zinc/95/65/40/1017956540.db2.gz XMEWQFZWBWUDOG-PSWAGMNNSA-N 2 1 377.532 3.956 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000562751902 1018603136 /nfs/dbraw/zinc/60/31/36/1018603136.db2.gz VPLXZWIHWSGKOJ-MOPGFXCFSA-N 2 1 375.513 3.668 20 0 GHADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC000933550350 1018878343 /nfs/dbraw/zinc/87/83/43/1018878343.db2.gz OUSZJHOVSGRTQU-QFIPXVFZSA-N 2 1 384.564 3.802 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000564971274 1019132322 /nfs/dbraw/zinc/13/23/22/1019132322.db2.gz UMPYMXRRSKZQIW-RBUKOAKNSA-N 2 1 379.552 3.882 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCc3ccc(F)cc3Cl)CC2)C[C@@H](C)O1 ZINC000565140964 1019168642 /nfs/dbraw/zinc/16/86/42/1019168642.db2.gz DBCBQALMAVIHRW-IAGOWNOFSA-N 2 1 398.950 3.612 20 0 GHADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000567236223 1019277441 /nfs/dbraw/zinc/27/74/41/1019277441.db2.gz ZRHXQGSZRZWUFW-MZYLBHOOSA-N 2 1 377.532 3.508 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000568502305 1019413952 /nfs/dbraw/zinc/41/39/52/1019413952.db2.gz PLTFXEYLOVIZJN-GHTZIAJQSA-N 2 1 393.531 3.723 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCCO2 ZINC000572678258 1019792852 /nfs/dbraw/zinc/79/28/52/1019792852.db2.gz KSPQTEDWRROAEV-LJQANCHMSA-N 2 1 389.927 3.987 20 0 GHADMP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000577188669 1020143435 /nfs/dbraw/zinc/14/34/35/1020143435.db2.gz ILAJVQJDWGBSFL-QHCPKHFHSA-N 2 1 379.548 3.527 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)C[NH2+]CC4)cc2)C1 ZINC000577471625 1020201594 /nfs/dbraw/zinc/20/15/94/1020201594.db2.gz LXRCBLYIQLENQS-SFHVURJKSA-N 2 1 392.547 3.886 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3nccc4ccccc43)CC2)CC1 ZINC001204460227 1032903015 /nfs/dbraw/zinc/90/30/15/1032903015.db2.gz KQDMMYVURSKMCT-IBGZPJMESA-N 2 1 394.563 3.562 20 0 GHADMP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000627524167 1020567023 /nfs/dbraw/zinc/56/70/23/1020567023.db2.gz BQSQWNGOTZTJBI-KCLUMXDGSA-N 2 1 397.588 3.515 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628036699 1020651734 /nfs/dbraw/zinc/65/17/34/1020651734.db2.gz HGCVZWIKWITBEE-IEBWSBKVSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628036699 1020651739 /nfs/dbraw/zinc/65/17/39/1020651739.db2.gz HGCVZWIKWITBEE-IEBWSBKVSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628036699 1020651743 /nfs/dbraw/zinc/65/17/43/1020651743.db2.gz HGCVZWIKWITBEE-IEBWSBKVSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628036699 1020651747 /nfs/dbraw/zinc/65/17/47/1020651747.db2.gz HGCVZWIKWITBEE-IEBWSBKVSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247192783 1021080755 /nfs/dbraw/zinc/08/07/55/1021080755.db2.gz VVPWAVXSLQGZCN-IXDOHACOSA-N 2 1 380.964 3.800 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2cc(C[NH+](C)C)ccn2)cc1 ZINC001156294136 1032964582 /nfs/dbraw/zinc/96/45/82/1032964582.db2.gz KUZNFXGJEBAIPK-NRFANRHFSA-N 2 1 382.552 3.643 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000834588649 1021288161 /nfs/dbraw/zinc/28/81/61/1021288161.db2.gz DLKDLMCOIOKEKM-MUGJNUQGSA-N 2 1 397.604 3.501 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)c2c1 ZINC001140269619 1021293715 /nfs/dbraw/zinc/29/37/15/1021293715.db2.gz WGBQFYCBISGOMF-HYBUGGRVSA-N 2 1 397.563 3.747 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@]4(C3)C[N@H+](C)C[C@@H]4COCC3CC3)c2c1 ZINC001140269619 1021293723 /nfs/dbraw/zinc/29/37/23/1021293723.db2.gz WGBQFYCBISGOMF-HYBUGGRVSA-N 2 1 397.563 3.747 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)c2c1 ZINC001140269619 1021293725 /nfs/dbraw/zinc/29/37/25/1021293725.db2.gz WGBQFYCBISGOMF-HYBUGGRVSA-N 2 1 397.563 3.747 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccc1F ZINC001204560174 1032971800 /nfs/dbraw/zinc/97/18/00/1032971800.db2.gz VIEPROCSHJSFGF-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)cn1 ZINC001140325526 1021404776 /nfs/dbraw/zinc/40/47/76/1021404776.db2.gz QMWBBKOZJSDWCX-UHFFFAOYSA-N 2 1 399.542 3.749 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)cn1 ZINC001140325526 1021404780 /nfs/dbraw/zinc/40/47/80/1021404780.db2.gz QMWBBKOZJSDWCX-UHFFFAOYSA-N 2 1 399.542 3.749 20 0 GHADMP C[NH+](C)Cc1cc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)ccc1Br ZINC001228545006 1032979751 /nfs/dbraw/zinc/97/97/51/1032979751.db2.gz CYKIFEMGTRUWPO-CALCHBBNSA-N 2 1 397.357 3.533 20 0 GHADMP Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(N2CCCC2)[nH+]1 ZINC000679700493 1022038017 /nfs/dbraw/zinc/03/80/17/1022038017.db2.gz NEAIQSFFLSSQDQ-UHFFFAOYSA-N 2 1 392.547 3.906 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccccc1 ZINC000679722140 1022043763 /nfs/dbraw/zinc/04/37/63/1022043763.db2.gz WCOGHRQELRLZSV-AKIFATBCSA-N 2 1 377.532 3.906 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000679994785 1022070174 /nfs/dbraw/zinc/07/01/74/1022070174.db2.gz OWNDUPHOBPJWGA-PZJWPPBQSA-N 2 1 395.950 3.994 20 0 GHADMP C[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000680370898 1022148963 /nfs/dbraw/zinc/14/89/63/1022148963.db2.gz OYLCIKNLJYPIQW-OAQYLSRUSA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000680370898 1022148969 /nfs/dbraw/zinc/14/89/69/1022148969.db2.gz OYLCIKNLJYPIQW-OAQYLSRUSA-N 2 1 397.588 3.696 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803867 1022575757 /nfs/dbraw/zinc/57/57/57/1022575757.db2.gz ZIXSKXHWUTYFCJ-UHFFFAOYSA-N 2 1 386.499 3.853 20 0 GHADMP Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803947 1022576409 /nfs/dbraw/zinc/57/64/09/1022576409.db2.gz WPEFGOJMFLPCKJ-IRLDBZIGSA-N 2 1 396.466 3.547 20 0 GHADMP Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803947 1022576422 /nfs/dbraw/zinc/57/64/22/1022576422.db2.gz WPEFGOJMFLPCKJ-IRLDBZIGSA-N 2 1 396.466 3.547 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001140896736 1022826479 /nfs/dbraw/zinc/82/64/79/1022826479.db2.gz YTOZWIXBVZUYNN-XMSQKQJNSA-N 2 1 399.966 3.923 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141018852 1023221065 /nfs/dbraw/zinc/22/10/65/1023221065.db2.gz NJESDHKUJJUXLJ-DLBZAZTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141018852 1023221080 /nfs/dbraw/zinc/22/10/80/1023221080.db2.gz NJESDHKUJJUXLJ-DLBZAZTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141018852 1023221097 /nfs/dbraw/zinc/22/10/97/1023221097.db2.gz NJESDHKUJJUXLJ-DLBZAZTESA-N 2 1 378.442 3.773 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001138121851 1024161945 /nfs/dbraw/zinc/16/19/45/1024161945.db2.gz OCHXSSISZPCYFT-FCHUYYIVSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001138121851 1024161952 /nfs/dbraw/zinc/16/19/52/1024161952.db2.gz OCHXSSISZPCYFT-FCHUYYIVSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001138121851 1024161958 /nfs/dbraw/zinc/16/19/58/1024161958.db2.gz OCHXSSISZPCYFT-FCHUYYIVSA-N 2 1 383.580 3.764 20 0 GHADMP c1csc(-c2n[nH]cc2C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001138151909 1024247902 /nfs/dbraw/zinc/24/79/02/1024247902.db2.gz PQPLSKQVAKKHSL-UHFFFAOYSA-N 2 1 398.532 3.598 20 0 GHADMP c1csc(-c2n[nH]cc2C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001138151909 1024247922 /nfs/dbraw/zinc/24/79/22/1024247922.db2.gz PQPLSKQVAKKHSL-UHFFFAOYSA-N 2 1 398.532 3.598 20 0 GHADMP CN(C)c1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001141263711 1024330071 /nfs/dbraw/zinc/33/00/71/1024330071.db2.gz FDVOBOOCPKBWTK-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001141375792 1024769653 /nfs/dbraw/zinc/76/96/53/1024769653.db2.gz OPOLBGSNQWJUPN-OAQYLSRUSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001141375792 1024769666 /nfs/dbraw/zinc/76/96/66/1024769666.db2.gz OPOLBGSNQWJUPN-OAQYLSRUSA-N 2 1 375.532 3.563 20 0 GHADMP C[C@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000837884728 1024781791 /nfs/dbraw/zinc/78/17/91/1024781791.db2.gz UGMXYJRMUNIKHF-OAQYLSRUSA-N 2 1 388.600 3.662 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001138524972 1024964281 /nfs/dbraw/zinc/96/42/81/1024964281.db2.gz UCTQINNOTJFSOU-DENIHFKCSA-N 2 1 385.577 3.819 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001138524972 1024964284 /nfs/dbraw/zinc/96/42/84/1024964284.db2.gz UCTQINNOTJFSOU-DENIHFKCSA-N 2 1 385.577 3.819 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001138524972 1024964290 /nfs/dbraw/zinc/96/42/90/1024964290.db2.gz UCTQINNOTJFSOU-DENIHFKCSA-N 2 1 385.577 3.819 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1 ZINC001138543248 1024985719 /nfs/dbraw/zinc/98/57/19/1024985719.db2.gz PUVMWHJAYOCNTL-XZOQPEGZSA-N 2 1 381.520 3.731 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cc1 ZINC001138543248 1024985725 /nfs/dbraw/zinc/98/57/25/1024985725.db2.gz PUVMWHJAYOCNTL-XZOQPEGZSA-N 2 1 381.520 3.731 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H](C)O)cc1 ZINC001138543670 1024985934 /nfs/dbraw/zinc/98/59/34/1024985934.db2.gz UHIXVKUDPVVXGF-SFHVURJKSA-N 2 1 379.504 3.615 20 0 GHADMP COc1ccc(CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H](C)O)cc1 ZINC001138543670 1024985937 /nfs/dbraw/zinc/98/59/37/1024985937.db2.gz UHIXVKUDPVVXGF-SFHVURJKSA-N 2 1 379.504 3.615 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H](C)O)cc1 ZINC001138543669 1024986022 /nfs/dbraw/zinc/98/60/22/1024986022.db2.gz UHIXVKUDPVVXGF-GOSISDBHSA-N 2 1 379.504 3.615 20 0 GHADMP COc1ccc(CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H](C)O)cc1 ZINC001138543669 1024986028 /nfs/dbraw/zinc/98/60/28/1024986028.db2.gz UHIXVKUDPVVXGF-GOSISDBHSA-N 2 1 379.504 3.615 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC001138544490 1024988298 /nfs/dbraw/zinc/98/82/98/1024988298.db2.gz JPJANRQFGSRAPC-QUCCMNQESA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)cc1 ZINC001138544490 1024988305 /nfs/dbraw/zinc/98/83/05/1024988305.db2.gz JPJANRQFGSRAPC-QUCCMNQESA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(n3c4ccccc4oc3=O)CC2)cc1 ZINC001138547414 1024993711 /nfs/dbraw/zinc/99/37/11/1024993711.db2.gz MVDKVEYORHVIBM-UHFFFAOYSA-N 2 1 388.471 3.926 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ccccc1 ZINC001138551815 1025006263 /nfs/dbraw/zinc/00/62/63/1025006263.db2.gz NSMROIYTDCMAGA-FGZHOGPDSA-N 2 1 375.472 3.569 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ccccc1 ZINC001138551815 1025006281 /nfs/dbraw/zinc/00/62/81/1025006281.db2.gz NSMROIYTDCMAGA-FGZHOGPDSA-N 2 1 375.472 3.569 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c(C)s1 ZINC001138566485 1025036084 /nfs/dbraw/zinc/03/60/84/1025036084.db2.gz OPCBFXQYOJCPLH-YPAWHYETSA-N 2 1 392.609 3.845 20 0 GHADMP CC(C)(C)c1n[nH]cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001138578963 1025058742 /nfs/dbraw/zinc/05/87/42/1025058742.db2.gz HXGZULSUQMWQLB-UHFFFAOYSA-N 2 1 382.552 3.574 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)cnc2[nH]1 ZINC001138738852 1025276600 /nfs/dbraw/zinc/27/66/00/1025276600.db2.gz XGEQUQVWDGLOQI-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)cnc2[nH]1 ZINC001138738852 1025276616 /nfs/dbraw/zinc/27/66/16/1025276616.db2.gz XGEQUQVWDGLOQI-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)cnc2[nH]1 ZINC001138738852 1025276633 /nfs/dbraw/zinc/27/66/33/1025276633.db2.gz XGEQUQVWDGLOQI-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)cnc2[nH]1 ZINC001138738852 1025276644 /nfs/dbraw/zinc/27/66/44/1025276644.db2.gz XGEQUQVWDGLOQI-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001138771816 1025340520 /nfs/dbraw/zinc/34/05/20/1025340520.db2.gz FQPHYKCBCGKOKU-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](c2ccccc2)C1 ZINC001138772348 1025342329 /nfs/dbraw/zinc/34/23/29/1025342329.db2.gz ZYQJPXAQZCEEKK-GGAORHGYSA-N 2 1 396.531 3.753 20 0 GHADMP OCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC001138798551 1025374983 /nfs/dbraw/zinc/37/49/83/1025374983.db2.gz XLYUKURZWYBYSO-UHFFFAOYSA-N 2 1 380.532 3.546 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)ccc1F ZINC001205172442 1033284465 /nfs/dbraw/zinc/28/44/65/1033284465.db2.gz QUAKCFXYKVHAPP-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138881904 1025517897 /nfs/dbraw/zinc/51/78/97/1025517897.db2.gz ZVYWKDWVXJXPQW-CTNGQTDRSA-N 2 1 391.494 3.565 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138881904 1025517906 /nfs/dbraw/zinc/51/79/06/1025517906.db2.gz ZVYWKDWVXJXPQW-CTNGQTDRSA-N 2 1 391.494 3.565 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138881904 1025517923 /nfs/dbraw/zinc/51/79/23/1025517923.db2.gz ZVYWKDWVXJXPQW-CTNGQTDRSA-N 2 1 391.494 3.565 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138881904 1025517928 /nfs/dbraw/zinc/51/79/28/1025517928.db2.gz ZVYWKDWVXJXPQW-CTNGQTDRSA-N 2 1 391.494 3.565 20 0 GHADMP CCN(C)c1cc[nH+]c(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)n1 ZINC001162049357 1025563932 /nfs/dbraw/zinc/56/39/32/1025563932.db2.gz NBZFKGQCIBUJJS-UHFFFAOYSA-N 2 1 393.457 3.728 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CC[C@H]2c2ccccc2)c1C ZINC001141575085 1025637731 /nfs/dbraw/zinc/63/77/31/1025637731.db2.gz OIBAHORCUBXNJP-NRFANRHFSA-N 2 1 382.552 3.650 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@H]2c2ccccc2)c1C ZINC001141575085 1025637773 /nfs/dbraw/zinc/63/77/73/1025637773.db2.gz OIBAHORCUBXNJP-NRFANRHFSA-N 2 1 382.552 3.650 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001138969207 1025682564 /nfs/dbraw/zinc/68/25/64/1025682564.db2.gz NERVAVYKMGMKPI-VWNXMTODSA-N 2 1 386.580 3.902 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001138969207 1025682569 /nfs/dbraw/zinc/68/25/69/1025682569.db2.gz NERVAVYKMGMKPI-VWNXMTODSA-N 2 1 386.580 3.902 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001138969207 1025682575 /nfs/dbraw/zinc/68/25/75/1025682575.db2.gz NERVAVYKMGMKPI-VWNXMTODSA-N 2 1 386.580 3.902 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001138969207 1025682584 /nfs/dbraw/zinc/68/25/84/1025682584.db2.gz NERVAVYKMGMKPI-VWNXMTODSA-N 2 1 386.580 3.902 20 0 GHADMP CC(C)Oc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001138984717 1025719384 /nfs/dbraw/zinc/71/93/84/1025719384.db2.gz QDMHKOGGLCNUNI-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001138984717 1025719392 /nfs/dbraw/zinc/71/93/92/1025719392.db2.gz QDMHKOGGLCNUNI-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001138984717 1025719411 /nfs/dbraw/zinc/71/94/11/1025719411.db2.gz QDMHKOGGLCNUNI-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162454529 1025753193 /nfs/dbraw/zinc/75/31/93/1025753193.db2.gz ORDRWIAHUJOUKC-CTNGQTDRSA-N 2 1 378.564 3.996 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(F)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC001461034049 1069349496 /nfs/dbraw/zinc/34/94/96/1069349496.db2.gz CSAUWWUKXLBGNI-OAQYLSRUSA-N 2 1 375.919 3.948 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)n1 ZINC001162800735 1025920879 /nfs/dbraw/zinc/92/08/79/1025920879.db2.gz DHGONBBJKWKIRI-XYJFISCASA-N 2 1 391.544 3.606 20 0 GHADMP CC(C)(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC001141623203 1025932002 /nfs/dbraw/zinc/93/20/02/1025932002.db2.gz YKYJTBWEUWYUMB-LJQANCHMSA-N 2 1 377.960 3.858 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001162881025 1025951949 /nfs/dbraw/zinc/95/19/49/1025951949.db2.gz SOFMLARKVOJTEL-HCLVMJGWSA-N 2 1 380.536 3.665 20 0 GHADMP Cc1cc(Cl)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162928294 1025969781 /nfs/dbraw/zinc/96/97/81/1025969781.db2.gz IPPASVDIECDOLF-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2[nH]ccc21 ZINC001162932819 1025971269 /nfs/dbraw/zinc/97/12/69/1025971269.db2.gz JQRRARHKCQVQBT-HXUWFJFHSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1c[nH+]c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2[nH]ccc21 ZINC001162932819 1025971278 /nfs/dbraw/zinc/97/12/78/1025971278.db2.gz JQRRARHKCQVQBT-HXUWFJFHSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1c[nH+]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2[nH]ccc21 ZINC001162932819 1025971287 /nfs/dbraw/zinc/97/12/87/1025971287.db2.gz JQRRARHKCQVQBT-HXUWFJFHSA-N 3 1 389.547 3.785 20 0 GHADMP CCc1cnc(Cl)nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162930315 1025971571 /nfs/dbraw/zinc/97/15/71/1025971571.db2.gz YRUREKYJCMARQY-LJQANCHMSA-N 2 1 399.970 3.606 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccc4c3ccn4CC)CC2)C1 ZINC001139154078 1025972757 /nfs/dbraw/zinc/97/27/57/1025972757.db2.gz ZKGNKFKEIZLHPZ-FQEVSTJZSA-N 2 1 397.563 3.901 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4c3ccn4CC)CC2)C1 ZINC001139154078 1025972764 /nfs/dbraw/zinc/97/27/64/1025972764.db2.gz ZKGNKFKEIZLHPZ-FQEVSTJZSA-N 2 1 397.563 3.901 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4c(c3)CCOC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162935788 1025973524 /nfs/dbraw/zinc/97/35/24/1025973524.db2.gz VSINKSUKKZHORD-HSZRJFAPSA-N 2 1 391.559 3.673 20 0 GHADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc2cc[nH]c21 ZINC001162940932 1025977352 /nfs/dbraw/zinc/97/73/52/1025977352.db2.gz BGJFKEPJQDWSFG-FQEVSTJZSA-N 2 1 389.547 3.785 20 0 GHADMP COCc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162941647 1025978606 /nfs/dbraw/zinc/97/86/06/1025978606.db2.gz YLXAEDADHNYWIU-QFIPXVFZSA-N 2 1 379.548 3.747 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4c3ccn4C)CC[C@@H]21 ZINC001139160541 1025983631 /nfs/dbraw/zinc/98/36/31/1025983631.db2.gz ZPUOSQNQPSFJEG-GIWBLDEGSA-N 2 1 391.563 3.748 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccc4c3ccn4C)CC[C@@H]21 ZINC001139160541 1025983635 /nfs/dbraw/zinc/98/36/35/1025983635.db2.gz ZPUOSQNQPSFJEG-GIWBLDEGSA-N 2 1 391.563 3.748 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccc4c3ccn4C)CC[C@@H]21 ZINC001139160541 1025983637 /nfs/dbraw/zinc/98/36/37/1025983637.db2.gz ZPUOSQNQPSFJEG-GIWBLDEGSA-N 2 1 391.563 3.748 20 0 GHADMP COCC[N@@H+](C)Cc1ccnc(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1 ZINC001163032756 1026015376 /nfs/dbraw/zinc/01/53/76/1026015376.db2.gz YUMKEXABEKTNKC-JOCHJYFZSA-N 2 1 394.563 3.646 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3)cc2)CC1 ZINC001461051641 1069362933 /nfs/dbraw/zinc/36/29/33/1069362933.db2.gz SCZXJEDFZPPRGN-UHFFFAOYSA-N 2 1 375.919 3.906 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC001461055543 1069364857 /nfs/dbraw/zinc/36/48/57/1069364857.db2.gz OFWUERSTPCPGRX-UHFFFAOYSA-N 2 1 391.515 3.900 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001139423343 1026293668 /nfs/dbraw/zinc/29/36/68/1026293668.db2.gz DFYIHBOXNFTUIN-FGZHOGPDSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001139423343 1026293678 /nfs/dbraw/zinc/29/36/78/1026293678.db2.gz DFYIHBOXNFTUIN-FGZHOGPDSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001139423343 1026293689 /nfs/dbraw/zinc/29/36/89/1026293689.db2.gz DFYIHBOXNFTUIN-FGZHOGPDSA-N 2 1 387.531 3.611 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn(Cc4ccc(Cl)nc4)c4ccccc34)C[C@@H]2C1 ZINC001139446341 1026313396 /nfs/dbraw/zinc/31/33/96/1026313396.db2.gz DDYYCJCGUYOASU-HDICACEKSA-N 2 1 380.923 3.731 20 0 GHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn(Cc4ccc(Cl)nc4)c4ccccc34)C[C@@H]2C1 ZINC001139446341 1026313407 /nfs/dbraw/zinc/31/34/07/1026313407.db2.gz DDYYCJCGUYOASU-HDICACEKSA-N 2 1 380.923 3.731 20 0 GHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cn(Cc4ccc(Cl)nc4)c4ccccc34)C[C@@H]2C1 ZINC001139446341 1026313416 /nfs/dbraw/zinc/31/34/16/1026313416.db2.gz DDYYCJCGUYOASU-HDICACEKSA-N 2 1 380.923 3.731 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC001141722257 1026339780 /nfs/dbraw/zinc/33/97/80/1026339780.db2.gz WDRCDDUCTUEOCU-VIZSFHNOSA-N 2 1 385.596 3.903 20 0 GHADMP C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513769 1026369927 /nfs/dbraw/zinc/36/99/27/1026369927.db2.gz BGCSSSRZKVXVOS-FYYLOGMGSA-N 2 1 393.575 3.602 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)C1 ZINC001461100275 1069388430 /nfs/dbraw/zinc/38/84/30/1069388430.db2.gz HANJUZSBNSADCE-AWEZNQCLSA-N 2 1 377.330 3.661 20 0 GHADMP C[C@@H]1CC[C@@H](C[NH3+])N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC001164077871 1026404772 /nfs/dbraw/zinc/40/47/72/1026404772.db2.gz KVORSYVUHFJFDQ-WBVHZDCISA-N 2 1 395.576 3.984 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001461123614 1069402520 /nfs/dbraw/zinc/40/25/20/1069402520.db2.gz WMBQMBBDHZNSJR-SFHVURJKSA-N 2 1 387.568 3.801 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001165213340 1026669029 /nfs/dbraw/zinc/66/90/29/1026669029.db2.gz VVTAXEGLVJKRIB-JOCHJYFZSA-N 2 1 381.520 3.849 20 0 GHADMP COc1ccc(CN2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)c(OC)n1 ZINC001139917920 1026731159 /nfs/dbraw/zinc/73/11/59/1026731159.db2.gz CWGLRHNAMITKDB-ONTIZHBOSA-N 2 1 381.520 3.709 20 0 GHADMP Clc1ncnc2[nH]cc(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c21 ZINC001139936127 1026742048 /nfs/dbraw/zinc/74/20/48/1026742048.db2.gz KAKBTKODJVGSST-OAQYLSRUSA-N 2 1 381.911 3.661 20 0 GHADMP CSc1nccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033745 1026822419 /nfs/dbraw/zinc/82/24/19/1026822419.db2.gz PUOHLIYWIHBEMD-IPELMVKDSA-N 2 1 388.606 3.993 20 0 GHADMP CN(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(=O)OC(C)(C)C ZINC001202997745 1026846286 /nfs/dbraw/zinc/84/62/86/1026846286.db2.gz PNOZOOFSPGCBCY-UHFFFAOYSA-N 2 1 387.568 3.841 20 0 GHADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209777853 1027185028 /nfs/dbraw/zinc/18/50/28/1027185028.db2.gz KPFOZKOFPDALQN-KWOQKUFVSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209777853 1027185041 /nfs/dbraw/zinc/18/50/41/1027185041.db2.gz KPFOZKOFPDALQN-KWOQKUFVSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209777853 1027185057 /nfs/dbraw/zinc/18/50/57/1027185057.db2.gz KPFOZKOFPDALQN-KWOQKUFVSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209777853 1027185061 /nfs/dbraw/zinc/18/50/61/1027185061.db2.gz KPFOZKOFPDALQN-KWOQKUFVSA-N 2 1 378.564 3.880 20 0 GHADMP CC1(C)C[N@@H+](CN2CCSC2=S)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000840107563 1027200767 /nfs/dbraw/zinc/20/07/67/1027200767.db2.gz LPWCWCFBTCCAKK-IBGZPJMESA-N 2 1 389.634 3.900 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc3ccccn13)CC2 ZINC001203147718 1027215423 /nfs/dbraw/zinc/21/54/23/1027215423.db2.gz AKIZTIJXUHWJGW-SFHVURJKSA-N 2 1 396.560 3.651 20 0 GHADMP CCc1nc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001203239046 1027245576 /nfs/dbraw/zinc/24/55/76/1027245576.db2.gz UWOPXNDLEHODES-FQEVSTJZSA-N 2 1 382.552 3.536 20 0 GHADMP CC(=O)OCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001141795262 1027301732 /nfs/dbraw/zinc/30/17/32/1027301732.db2.gz AUZPLLMSHJDSCB-RTWAWAEBSA-N 2 1 382.504 3.687 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001141795262 1027301749 /nfs/dbraw/zinc/30/17/49/1027301749.db2.gz AUZPLLMSHJDSCB-RTWAWAEBSA-N 2 1 382.504 3.687 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC001203963449 1027761260 /nfs/dbraw/zinc/76/12/60/1027761260.db2.gz SQEQETZWUMJHOZ-UHFFFAOYSA-N 2 1 379.504 3.896 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001141984286 1027813293 /nfs/dbraw/zinc/81/32/93/1027813293.db2.gz ZMQWIGQNPQGSPY-ZJSXRUAMSA-N 2 1 395.547 3.830 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001141984286 1027813305 /nfs/dbraw/zinc/81/33/05/1027813305.db2.gz ZMQWIGQNPQGSPY-ZJSXRUAMSA-N 2 1 395.547 3.830 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001141984286 1027813321 /nfs/dbraw/zinc/81/33/21/1027813321.db2.gz ZMQWIGQNPQGSPY-ZJSXRUAMSA-N 2 1 395.547 3.830 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001141984286 1027813334 /nfs/dbraw/zinc/81/33/34/1027813334.db2.gz ZMQWIGQNPQGSPY-ZJSXRUAMSA-N 2 1 395.547 3.830 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000840776972 1027816218 /nfs/dbraw/zinc/81/62/18/1027816218.db2.gz QTOSGBFVEVEHNX-AWSOSMMOSA-N 2 1 391.600 3.778 20 0 GHADMP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000840862980 1027898672 /nfs/dbraw/zinc/89/86/72/1027898672.db2.gz DCQZKLMMBNPHPR-CWBXHPNXSA-N 2 1 393.531 3.892 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001142141957 1028232822 /nfs/dbraw/zinc/23/28/22/1028232822.db2.gz HDSXHNUWQHEORY-OQLXKQOESA-N 2 1 385.596 3.832 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001142141957 1028232832 /nfs/dbraw/zinc/23/28/32/1028232832.db2.gz HDSXHNUWQHEORY-OQLXKQOESA-N 2 1 385.596 3.832 20 0 GHADMP CCN(C(=O)Nc1cccc(OCC[NH3+])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000841284102 1028368621 /nfs/dbraw/zinc/36/86/21/1028368621.db2.gz COBUFPSONJOOKC-WIYYLYMNSA-N 2 1 396.535 3.713 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841291822 1028379859 /nfs/dbraw/zinc/37/98/59/1028379859.db2.gz WPGJBJYMHRGWND-GOSISDBHSA-N 2 1 396.535 3.578 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001461379235 1069525844 /nfs/dbraw/zinc/52/58/44/1069525844.db2.gz MMAHMNWBDVFHCA-LJQANCHMSA-N 2 1 394.437 3.832 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000841432352 1028619855 /nfs/dbraw/zinc/61/98/55/1028619855.db2.gz PKFHVMNVGZZVLK-UPVQGACJSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)C3CCC([NH3+])CC3)cc2)C1 ZINC000841689532 1028836828 /nfs/dbraw/zinc/83/68/28/1028836828.db2.gz JDAOYSWSAROFFK-OTXOEQGISA-N 2 1 386.584 3.576 20 0 GHADMP CC[NH+](CC)Cc1ccc(F)c(Nc2sc3c(c2C(N)=O)CC[N@@H+](C)C3)c1 ZINC001215725163 1029370517 /nfs/dbraw/zinc/37/05/17/1029370517.db2.gz ZFTTZLJVABKMPR-UHFFFAOYSA-N 2 1 390.528 3.559 20 0 GHADMP CC[NH+](CC)Cc1ccc(F)c(Nc2sc3c(c2C(N)=O)CC[N@H+](C)C3)c1 ZINC001215725163 1029370533 /nfs/dbraw/zinc/37/05/33/1029370533.db2.gz ZFTTZLJVABKMPR-UHFFFAOYSA-N 2 1 390.528 3.559 20 0 GHADMP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699772 1029509339 /nfs/dbraw/zinc/50/93/39/1029509339.db2.gz PZLZHDNCWAKFIF-GIVPXCGWSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699772 1029509350 /nfs/dbraw/zinc/50/93/50/1029509350.db2.gz PZLZHDNCWAKFIF-GIVPXCGWSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842709649 1029519017 /nfs/dbraw/zinc/51/90/17/1029519017.db2.gz CNDNJIMHBYCHAC-CGXNFDGLSA-N 2 1 397.563 3.639 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842709649 1029519035 /nfs/dbraw/zinc/51/90/35/1029519035.db2.gz CNDNJIMHBYCHAC-CGXNFDGLSA-N 2 1 397.563 3.639 20 0 GHADMP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842712364 1029522898 /nfs/dbraw/zinc/52/28/98/1029522898.db2.gz XQCBAGYWRGFBDY-VXKWHMMOSA-N 2 1 393.531 3.894 20 0 GHADMP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842712364 1029522904 /nfs/dbraw/zinc/52/29/04/1029522904.db2.gz XQCBAGYWRGFBDY-VXKWHMMOSA-N 2 1 393.531 3.894 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CC1 ZINC001461559554 1069609237 /nfs/dbraw/zinc/60/92/37/1069609237.db2.gz OSHUPAPLKOOXJA-UHFFFAOYSA-N 2 1 380.458 3.914 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4nccn4c2)CC3)c1 ZINC001143025257 1029789462 /nfs/dbraw/zinc/78/94/62/1029789462.db2.gz GOJWSZDMANMMJK-UHFFFAOYSA-N 3 1 390.531 3.831 20 0 GHADMP C[N@H+]1CCCN(c2ccc(-c3noc(CCCCCC[NH3+])n3)cc2Cl)CC1 ZINC000843206244 1029851816 /nfs/dbraw/zinc/85/18/16/1029851816.db2.gz KJMUFYIPVNTOGE-UHFFFAOYSA-N 2 1 391.947 3.594 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001143140387 1029865643 /nfs/dbraw/zinc/86/56/43/1029865643.db2.gz OLBVYUSRCOYOBK-NZQKXSOJSA-N 2 1 387.612 3.863 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001221945868 1029902468 /nfs/dbraw/zinc/90/24/68/1029902468.db2.gz KSUYQGLKTLPZLK-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3cccnc3[nH]1)CC2 ZINC001143215706 1029919423 /nfs/dbraw/zinc/91/94/23/1029919423.db2.gz BUDPVABSCFOKJN-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001222125814 1029972493 /nfs/dbraw/zinc/97/24/93/1029972493.db2.gz XDKVZNBQLUNVEW-ICSRJNTNSA-N 2 1 398.469 3.503 20 0 GHADMP O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001149346828 1030142446 /nfs/dbraw/zinc/14/24/46/1030142446.db2.gz KYOBIVMMCXCDFT-QFIPXVFZSA-N 2 1 378.520 3.660 20 0 GHADMP c1[nH]c2ncccc2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222574606 1030205123 /nfs/dbraw/zinc/20/51/23/1030205123.db2.gz IBSHAFWRCRWJRI-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@@H+]2Cc2cccc3c2OCO3)cc1 ZINC001222582984 1030211789 /nfs/dbraw/zinc/21/17/89/1030211789.db2.gz JEIGVCKTUXGJBO-NRFANRHFSA-N 2 1 394.515 3.719 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2OCO3)cc1 ZINC001222582984 1030211800 /nfs/dbraw/zinc/21/18/00/1030211800.db2.gz JEIGVCKTUXGJBO-NRFANRHFSA-N 2 1 394.515 3.719 20 0 GHADMP CCOc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222591862 1030220778 /nfs/dbraw/zinc/22/07/78/1030220778.db2.gz ZNJZFLGTHUEJIK-QFIPXVFZSA-N 2 1 395.547 3.784 20 0 GHADMP CCOc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222591862 1030220791 /nfs/dbraw/zinc/22/07/91/1030220791.db2.gz ZNJZFLGTHUEJIK-QFIPXVFZSA-N 2 1 395.547 3.784 20 0 GHADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601828 1030225957 /nfs/dbraw/zinc/22/59/57/1030225957.db2.gz APOXGLPNBXEIDC-SFHVURJKSA-N 2 1 376.422 3.903 20 0 GHADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601828 1030225965 /nfs/dbraw/zinc/22/59/65/1030225965.db2.gz APOXGLPNBXEIDC-SFHVURJKSA-N 2 1 376.422 3.903 20 0 GHADMP FC(F)(F)c1ccc(Br)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222623113 1030245913 /nfs/dbraw/zinc/24/59/13/1030245913.db2.gz ACWFIZPXLUTXGU-TXEJJXNPSA-N 2 1 377.248 3.899 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001149825428 1030316704 /nfs/dbraw/zinc/31/67/04/1030316704.db2.gz LOJDPLCLFQHJJP-HSZRJFAPSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC001222979328 1030377949 /nfs/dbraw/zinc/37/79/49/1030377949.db2.gz JGBIFGCJKMEXGF-UNMCSNQZSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H](OCc1ccccc1)[C@H](N)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217700630 1030616407 /nfs/dbraw/zinc/61/64/07/1030616407.db2.gz GEHACBZPRHVFKW-UIFIKXQLSA-N 2 1 392.503 3.664 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218334525 1030900251 /nfs/dbraw/zinc/90/02/51/1030900251.db2.gz BLJJMYBKRURJHB-NLFFAJNJSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218334525 1030900257 /nfs/dbraw/zinc/90/02/57/1030900257.db2.gz BLJJMYBKRURJHB-NLFFAJNJSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218334525 1030900261 /nfs/dbraw/zinc/90/02/61/1030900261.db2.gz BLJJMYBKRURJHB-NLFFAJNJSA-N 3 1 393.575 3.899 20 0 GHADMP CC(C)C1(C(C)C)OC[C@@H](CCOc2ccc(C[NH+]3CCC([NH3+])CC3)cc2)O1 ZINC001218357955 1030908662 /nfs/dbraw/zinc/90/86/62/1030908662.db2.gz RMRCEJNNJHYMDM-JOCHJYFZSA-N 2 1 390.568 3.802 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(OC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001218410636 1030927211 /nfs/dbraw/zinc/92/72/11/1030927211.db2.gz HSFYMNZAYGNQCL-IBGZPJMESA-N 2 1 376.541 3.540 20 0 GHADMP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001218938221 1031163590 /nfs/dbraw/zinc/16/35/90/1031163590.db2.gz QGWNFCUIXMGHQZ-HXUWFJFHSA-N 2 1 397.950 3.879 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001224898663 1031169798 /nfs/dbraw/zinc/16/97/98/1031169798.db2.gz KGSCCJHOXPNSOR-BAGYTPMASA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001224898663 1031169811 /nfs/dbraw/zinc/16/98/11/1031169811.db2.gz KGSCCJHOXPNSOR-BAGYTPMASA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001224898663 1031169819 /nfs/dbraw/zinc/16/98/19/1031169819.db2.gz KGSCCJHOXPNSOR-BAGYTPMASA-N 2 1 386.584 3.776 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001219023402 1031216932 /nfs/dbraw/zinc/21/69/32/1031216932.db2.gz AXERWDHHIRWVFA-JTHBVZDNSA-N 2 1 398.595 3.606 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1cccc(N2CC[NH2+]CC2)c1)c1ccccc1 ZINC001219119162 1031261133 /nfs/dbraw/zinc/26/11/33/1031261133.db2.gz UKZPTKUOIWUXLE-QHCPKHFHSA-N 2 1 394.563 3.898 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001219711558 1031571354 /nfs/dbraw/zinc/57/13/54/1031571354.db2.gz HNKIAJCKXARGCK-PXNSSMCTSA-N 2 1 381.524 3.664 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001219711558 1031571363 /nfs/dbraw/zinc/57/13/63/1031571363.db2.gz HNKIAJCKXARGCK-PXNSSMCTSA-N 2 1 381.524 3.664 20 0 GHADMP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219825224 1031639243 /nfs/dbraw/zinc/63/92/43/1031639243.db2.gz FKQAWIRKWNYKHJ-AEFFLSMTSA-N 2 1 389.952 3.574 20 0 GHADMP C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001226057080 1031761960 /nfs/dbraw/zinc/76/19/60/1031761960.db2.gz JDWJUIICEMIEJM-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001226057080 1031761974 /nfs/dbraw/zinc/76/19/74/1031761974.db2.gz JDWJUIICEMIEJM-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001226057080 1031761991 /nfs/dbraw/zinc/76/19/91/1031761991.db2.gz JDWJUIICEMIEJM-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001226057080 1031762010 /nfs/dbraw/zinc/76/20/10/1031762010.db2.gz JDWJUIICEMIEJM-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001226057080 1031762026 /nfs/dbraw/zinc/76/20/26/1031762026.db2.gz JDWJUIICEMIEJM-RZUBCFFCSA-N 2 1 398.595 3.555 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3sccc3Cl)O2)CC1 ZINC001205327102 1033362765 /nfs/dbraw/zinc/36/27/65/1033362765.db2.gz WQNGNODHLWZUNZ-BHIYHBOVSA-N 2 1 399.000 3.882 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC001205576728 1033476191 /nfs/dbraw/zinc/47/61/91/1033476191.db2.gz DABQEGZKKXZSRD-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+]1CCc2nc(Cl)nc(-n3cc(C4CC[NH2+]CC4)c4cccc(F)c43)c2C1 ZINC001157358497 1033551355 /nfs/dbraw/zinc/55/13/55/1033551355.db2.gz BDNDDJJTBKEMTG-UHFFFAOYSA-N 2 1 399.901 3.668 20 0 GHADMP CC(C)C[N@@H+](Cc1ccccc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001205922853 1033637504 /nfs/dbraw/zinc/63/75/04/1033637504.db2.gz CAPIJWSWSFDCOU-UHFFFAOYSA-N 2 1 377.536 3.855 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc(OC(F)F)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206024130 1033691289 /nfs/dbraw/zinc/69/12/89/1033691289.db2.gz HXHUVTIDHHYNSZ-VXGBXAGGSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@@H]1CN(C(=O)C2(CC3CCC3)CC[NH2+]CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615665 1033693687 /nfs/dbraw/zinc/69/36/87/1033693687.db2.gz LQUVPMZUMPSDEZ-UXHICEINSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC001229793702 1033718872 /nfs/dbraw/zinc/71/88/72/1033718872.db2.gz MIKVZPXFRZNNHB-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC001229793702 1033718890 /nfs/dbraw/zinc/71/88/90/1033718890.db2.gz MIKVZPXFRZNNHB-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC001229793702 1033718908 /nfs/dbraw/zinc/71/89/08/1033718908.db2.gz MIKVZPXFRZNNHB-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Br)cncc2Br)CC1 ZINC001206305460 1033787765 /nfs/dbraw/zinc/78/77/65/1033787765.db2.gz ZUEMFJMANQDGQY-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)cncc2Br)CC1 ZINC001206305460 1033787781 /nfs/dbraw/zinc/78/77/81/1033787781.db2.gz ZUEMFJMANQDGQY-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CC1 ZINC001206324873 1033797855 /nfs/dbraw/zinc/79/78/55/1033797855.db2.gz FFVIEUFCXNFJNI-AWEZNQCLSA-N 2 1 380.252 3.814 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(-c4cccs4)s3)s2)C[C@H]1O ZINC001206475426 1033861973 /nfs/dbraw/zinc/86/19/73/1033861973.db2.gz OKVRADGLHJXQOZ-GXTWGEPZSA-N 2 1 376.572 3.957 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(-c4cccs4)s3)s2)C[C@H]1O ZINC001206475426 1033861988 /nfs/dbraw/zinc/86/19/88/1033861988.db2.gz OKVRADGLHJXQOZ-GXTWGEPZSA-N 2 1 376.572 3.957 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC001158033570 1033873492 /nfs/dbraw/zinc/87/34/92/1033873492.db2.gz FNYSLNSSMYKDQQ-MRXNPFEDSA-N 2 1 393.959 3.872 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C(C)C)[C@H]2CC[NH2+]C2)n1 ZINC001158032743 1033874103 /nfs/dbraw/zinc/87/41/03/1033874103.db2.gz LEIYFCGQSVDEJV-INIZCTEOSA-N 2 1 375.586 3.727 20 0 GHADMP CC(C)N(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@H]1CC[NH2+]C1 ZINC001158035553 1033876016 /nfs/dbraw/zinc/87/60/16/1033876016.db2.gz VCOXOSJDACUDDO-KRWDZBQOSA-N 2 1 395.576 3.997 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccnc2OC)CC3)c1 ZINC001206577390 1033912682 /nfs/dbraw/zinc/91/26/82/1033912682.db2.gz XMIBCEWQPMYSBB-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001206710976 1033953194 /nfs/dbraw/zinc/95/31/94/1033953194.db2.gz UHPDNASMPODHMO-TZRRMPRUSA-N 2 1 384.564 3.546 20 0 GHADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001206710976 1033953200 /nfs/dbraw/zinc/95/32/00/1033953200.db2.gz UHPDNASMPODHMO-TZRRMPRUSA-N 2 1 384.564 3.546 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)CC1 ZINC001206727582 1033959572 /nfs/dbraw/zinc/95/95/72/1033959572.db2.gz HXYNDYFUEDUAJL-UHFFFAOYSA-N 3 1 399.623 3.853 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC001206761038 1033974133 /nfs/dbraw/zinc/97/41/33/1033974133.db2.gz RUSHYDXTGQXOIR-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000247127064 1034046142 /nfs/dbraw/zinc/04/61/42/1034046142.db2.gz NGRZTTFSJCANJZ-DYXWJJEUSA-N 2 1 382.552 3.721 20 0 GHADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000247127064 1034046161 /nfs/dbraw/zinc/04/61/61/1034046161.db2.gz NGRZTTFSJCANJZ-DYXWJJEUSA-N 2 1 382.552 3.721 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ncc4ccccn42)CC3)c1 ZINC001207050695 1034071010 /nfs/dbraw/zinc/07/10/10/1034071010.db2.gz AXFFALVOFTXJLJ-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ncc4ccccn42)CC3)c1 ZINC001207050695 1034071024 /nfs/dbraw/zinc/07/10/24/1034071024.db2.gz AXFFALVOFTXJLJ-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncc4ccccn42)CC3)c1 ZINC001207050695 1034071038 /nfs/dbraw/zinc/07/10/38/1034071038.db2.gz AXFFALVOFTXJLJ-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2[nH+]cc4ccccn42)CC3)c1 ZINC001207050695 1034071051 /nfs/dbraw/zinc/07/10/51/1034071051.db2.gz AXFFALVOFTXJLJ-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2[nH+]cc4ccccn42)CC3)c1 ZINC001207050695 1034071066 /nfs/dbraw/zinc/07/10/66/1034071066.db2.gz AXFFALVOFTXJLJ-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP CC(C)N1CCOC[C@]2(CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288576 1034238328 /nfs/dbraw/zinc/23/83/28/1034238328.db2.gz AEFAIHACIDHZFW-VWLOTQADSA-N 3 1 399.623 3.721 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288576 1034238344 /nfs/dbraw/zinc/23/83/44/1034238344.db2.gz AEFAIHACIDHZFW-VWLOTQADSA-N 3 1 399.623 3.721 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288576 1034238360 /nfs/dbraw/zinc/23/83/60/1034238360.db2.gz AEFAIHACIDHZFW-VWLOTQADSA-N 3 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288576 1034238371 /nfs/dbraw/zinc/23/83/71/1034238371.db2.gz AEFAIHACIDHZFW-VWLOTQADSA-N 3 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288576 1034238384 /nfs/dbraw/zinc/23/83/84/1034238384.db2.gz AEFAIHACIDHZFW-VWLOTQADSA-N 3 1 399.623 3.721 20 0 GHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001231107953 1034402006 /nfs/dbraw/zinc/40/20/06/1034402006.db2.gz WVWVWKXSQVOOCF-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3(CNC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001461899312 1069857751 /nfs/dbraw/zinc/85/77/51/1069857751.db2.gz NUIPYWOWFQHLBG-IBGZPJMESA-N 2 1 379.589 3.735 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3(CNC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001461899312 1069857768 /nfs/dbraw/zinc/85/77/68/1069857768.db2.gz NUIPYWOWFQHLBG-IBGZPJMESA-N 2 1 379.589 3.735 20 0 GHADMP Cc1cccc(CC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001207539275 1034442583 /nfs/dbraw/zinc/44/25/83/1034442583.db2.gz QCQMTSLBWBKJHC-UHFFFAOYSA-N 2 1 379.548 3.547 20 0 GHADMP Cc1cccc(CCN2CCC([N@@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001207554994 1034446821 /nfs/dbraw/zinc/44/68/21/1034446821.db2.gz XGQZRMRFCDJVOP-FQEVSTJZSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1cccc(CCN2CCC([N@H+]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001207554994 1034446829 /nfs/dbraw/zinc/44/68/29/1034446829.db2.gz XGQZRMRFCDJVOP-FQEVSTJZSA-N 2 1 387.568 3.601 20 0 GHADMP COc1cccc(CCC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001207560152 1034448550 /nfs/dbraw/zinc/44/85/50/1034448550.db2.gz CCLLXSKTFSSJFY-GPXNEJASSA-N 2 1 396.579 3.698 20 0 GHADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001207560152 1034448560 /nfs/dbraw/zinc/44/85/60/1034448560.db2.gz CCLLXSKTFSSJFY-GPXNEJASSA-N 2 1 396.579 3.698 20 0 GHADMP COc1cccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001207560152 1034448564 /nfs/dbraw/zinc/44/85/64/1034448564.db2.gz CCLLXSKTFSSJFY-GPXNEJASSA-N 2 1 396.579 3.698 20 0 GHADMP c1[nH]c2cnccc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001231516025 1034665430 /nfs/dbraw/zinc/66/54/30/1034665430.db2.gz BOCKIXUNPQAACH-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]c2cnccc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001231516025 1034665440 /nfs/dbraw/zinc/66/54/40/1034665440.db2.gz BOCKIXUNPQAACH-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP CC(C)=CCCC1=CC[C@H](C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CC1 ZINC001207940167 1034669086 /nfs/dbraw/zinc/66/90/86/1034669086.db2.gz JROKXMLSOSOTMT-NRFANRHFSA-N 2 1 398.595 3.984 20 0 GHADMP C[C@@H]([NH3+])CCNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001159778667 1034740456 /nfs/dbraw/zinc/74/04/56/1034740456.db2.gz QKSRLHKPFIQIDY-LSDHHAIUSA-N 2 1 387.597 3.951 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC001208184764 1034781415 /nfs/dbraw/zinc/78/14/15/1034781415.db2.gz FPUYWRGVJCAOAX-ZWKOTPCHSA-N 2 1 397.579 3.683 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CCCC1 ZINC001208185473 1034782772 /nfs/dbraw/zinc/78/27/72/1034782772.db2.gz NZCNNUQBSUZVRA-UHFFFAOYSA-N 2 1 382.527 3.805 20 0 GHADMP Cc1sc2ccccc2c1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001231644224 1034804589 /nfs/dbraw/zinc/80/45/89/1034804589.db2.gz WFVWMICKFGEFES-MOPGFXCFSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1sc2ccccc2c1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001231644224 1034804603 /nfs/dbraw/zinc/80/46/03/1034804603.db2.gz WFVWMICKFGEFES-MOPGFXCFSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001231644224 1034804616 /nfs/dbraw/zinc/80/46/16/1034804616.db2.gz WFVWMICKFGEFES-MOPGFXCFSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001231644224 1034804630 /nfs/dbraw/zinc/80/46/30/1034804630.db2.gz WFVWMICKFGEFES-MOPGFXCFSA-N 2 1 380.561 3.897 20 0 GHADMP COc1cc(Cl)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(OC)c1 ZINC001231695453 1034842522 /nfs/dbraw/zinc/84/25/22/1034842522.db2.gz UDDXYADGEQQKQH-UHFFFAOYSA-N 2 1 396.959 3.682 20 0 GHADMP CCN(CC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1)C(=O)OC(C)(C)C ZINC001208571597 1034936844 /nfs/dbraw/zinc/93/68/44/1034936844.db2.gz BRQHLYQKTQUKDL-UHFFFAOYSA-N 2 1 391.556 3.825 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208588630 1034944968 /nfs/dbraw/zinc/94/49/68/1034944968.db2.gz JWBRQCPJRDRSKL-DNQXCXABSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588630 1034944969 /nfs/dbraw/zinc/94/49/69/1034944969.db2.gz JWBRQCPJRDRSKL-DNQXCXABSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588630 1034944976 /nfs/dbraw/zinc/94/49/76/1034944976.db2.gz JWBRQCPJRDRSKL-DNQXCXABSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CC[C@H](C)CC(C)(C)C)CCC2 ZINC001208659660 1034972108 /nfs/dbraw/zinc/97/21/08/1034972108.db2.gz KSIYDFZTYMQREH-SFHVURJKSA-N 2 1 376.589 3.753 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001208787567 1035020485 /nfs/dbraw/zinc/02/04/85/1035020485.db2.gz JRLSLFWYRPERNM-KIZRIRGWSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001208787567 1035020493 /nfs/dbraw/zinc/02/04/93/1035020493.db2.gz JRLSLFWYRPERNM-KIZRIRGWSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001208787567 1035020502 /nfs/dbraw/zinc/02/05/02/1035020502.db2.gz JRLSLFWYRPERNM-KIZRIRGWSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001208787567 1035020510 /nfs/dbraw/zinc/02/05/10/1035020510.db2.gz JRLSLFWYRPERNM-KIZRIRGWSA-N 2 1 387.568 3.593 20 0 GHADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160680807 1035034385 /nfs/dbraw/zinc/03/43/85/1035034385.db2.gz VTXIXFXWFXBMSS-ZTCOLXNVSA-N 2 1 391.559 3.678 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232013232 1035042467 /nfs/dbraw/zinc/04/24/67/1035042467.db2.gz HNIZHAGYYGCVBQ-NRFANRHFSA-N 2 1 380.517 3.753 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160738840 1035051015 /nfs/dbraw/zinc/05/10/15/1035051015.db2.gz KVHKAVYLAUJVDK-HOTGVXAUSA-N 2 1 393.388 3.571 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@H](C)C(F)(F)F)CC2 ZINC001208886325 1035075550 /nfs/dbraw/zinc/07/55/50/1035075550.db2.gz BNXCVQBRKKPWSE-WMZOPIPTSA-N 2 1 385.474 3.583 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@@H](C)C(F)(F)F)CC2 ZINC001208886321 1035075771 /nfs/dbraw/zinc/07/57/71/1035075771.db2.gz BNXCVQBRKKPWSE-AEFFLSMTSA-N 2 1 385.474 3.583 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208932347 1035096394 /nfs/dbraw/zinc/09/63/94/1035096394.db2.gz PDIRTXCTGSBLSG-NNWRFLSQSA-N 2 1 375.516 3.566 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208932347 1035096400 /nfs/dbraw/zinc/09/64/00/1035096400.db2.gz PDIRTXCTGSBLSG-NNWRFLSQSA-N 2 1 375.516 3.566 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208932347 1035096406 /nfs/dbraw/zinc/09/64/06/1035096406.db2.gz PDIRTXCTGSBLSG-NNWRFLSQSA-N 2 1 375.516 3.566 20 0 GHADMP CN(C)C(=O)N1CCCC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208935935 1035101679 /nfs/dbraw/zinc/10/16/79/1035101679.db2.gz QLUUKYYFWRMVDO-JOCHJYFZSA-N 2 1 398.595 3.511 20 0 GHADMP COc1ccc(-c2c(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnn2C)cc1 ZINC001232114489 1035103407 /nfs/dbraw/zinc/10/34/07/1035103407.db2.gz ZYIJVZWPTQEDLQ-OAQYLSRUSA-N 2 1 382.552 3.936 20 0 GHADMP COc1ccc(-c2c(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cnn2C)cc1 ZINC001232114489 1035103414 /nfs/dbraw/zinc/10/34/14/1035103414.db2.gz ZYIJVZWPTQEDLQ-OAQYLSRUSA-N 2 1 382.552 3.936 20 0 GHADMP COc1ccccc1C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937563 1035104955 /nfs/dbraw/zinc/10/49/55/1035104955.db2.gz UNRJSFAGMCWWHW-HSZRJFAPSA-N 2 1 393.575 3.725 20 0 GHADMP COc1ccccc1C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937563 1035104957 /nfs/dbraw/zinc/10/49/57/1035104957.db2.gz UNRJSFAGMCWWHW-HSZRJFAPSA-N 2 1 393.575 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208940389 1035109631 /nfs/dbraw/zinc/10/96/31/1035109631.db2.gz CEOTUZSNRBAYAE-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940389 1035109634 /nfs/dbraw/zinc/10/96/34/1035109634.db2.gz CEOTUZSNRBAYAE-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940389 1035109640 /nfs/dbraw/zinc/10/96/40/1035109640.db2.gz CEOTUZSNRBAYAE-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP c1csc(C[NH+]2C[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]3C2)c1 ZINC001208943889 1035113035 /nfs/dbraw/zinc/11/30/35/1035113035.db2.gz WFNMEPNXTONERI-BHDDXSALSA-N 2 1 381.589 3.634 20 0 GHADMP CCOC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208943286 1035113783 /nfs/dbraw/zinc/11/37/83/1035113783.db2.gz UDLFEYOTNPBFTR-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP CCOC(=O)CC[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208943286 1035113787 /nfs/dbraw/zinc/11/37/87/1035113787.db2.gz UDLFEYOTNPBFTR-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP CCOC(=O)CC[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208943286 1035113790 /nfs/dbraw/zinc/11/37/90/1035113790.db2.gz UDLFEYOTNPBFTR-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946961 1035117384 /nfs/dbraw/zinc/11/73/84/1035117384.db2.gz SGNZWBPKZBYGPP-CYXNTTPDSA-N 2 1 389.587 3.881 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3CN(C[C@@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946961 1035117387 /nfs/dbraw/zinc/11/73/87/1035117387.db2.gz SGNZWBPKZBYGPP-CYXNTTPDSA-N 2 1 389.587 3.881 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3CN(C[C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946961 1035117391 /nfs/dbraw/zinc/11/73/91/1035117391.db2.gz SGNZWBPKZBYGPP-CYXNTTPDSA-N 2 1 389.587 3.881 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@@H]4CN(c5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208947442 1035117845 /nfs/dbraw/zinc/11/78/45/1035117845.db2.gz KAVRXZGWICLGCI-RBZQAINGSA-N 2 1 375.560 3.967 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]32)cc1 ZINC001208949934 1035120049 /nfs/dbraw/zinc/12/00/49/1035120049.db2.gz ORZXFXCQAVRLHL-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)C2)cc1 ZINC001208949934 1035120054 /nfs/dbraw/zinc/12/00/54/1035120054.db2.gz ORZXFXCQAVRLHL-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C2)cc1 ZINC001208949934 1035120056 /nfs/dbraw/zinc/12/00/56/1035120056.db2.gz ORZXFXCQAVRLHL-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001232144182 1035121664 /nfs/dbraw/zinc/12/16/64/1035121664.db2.gz GYJPVHJZWYJPNS-QUCCMNQESA-N 2 1 391.531 3.719 20 0 GHADMP Cc1ccc2nc(C3CC[NH+](C[C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)nn2c1 ZINC001208950904 1035121872 /nfs/dbraw/zinc/12/18/72/1035121872.db2.gz FZNDHNQBYYTOIL-NRFANRHFSA-N 2 1 389.547 3.739 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001208952083 1035123412 /nfs/dbraw/zinc/12/34/12/1035123412.db2.gz BUZIECKDJYHUHA-NFBKMPQASA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001208952083 1035123415 /nfs/dbraw/zinc/12/34/15/1035123415.db2.gz BUZIECKDJYHUHA-NFBKMPQASA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001208952083 1035123421 /nfs/dbraw/zinc/12/34/21/1035123421.db2.gz BUZIECKDJYHUHA-NFBKMPQASA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001208952083 1035123426 /nfs/dbraw/zinc/12/34/26/1035123426.db2.gz BUZIECKDJYHUHA-NFBKMPQASA-N 2 1 395.522 3.542 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c1 ZINC001232146558 1035124417 /nfs/dbraw/zinc/12/44/17/1035124417.db2.gz UDVBZGRDPAFRBQ-OPVJXMOQSA-N 2 1 391.531 3.622 20 0 GHADMP O=C1C[C@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953171 1035124964 /nfs/dbraw/zinc/12/49/64/1035124964.db2.gz YTSOBUPXSJKHHZ-REWPJTCUSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1C[C@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953171 1035124967 /nfs/dbraw/zinc/12/49/67/1035124967.db2.gz YTSOBUPXSJKHHZ-REWPJTCUSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1C[C@]2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953171 1035124973 /nfs/dbraw/zinc/12/49/73/1035124973.db2.gz YTSOBUPXSJKHHZ-REWPJTCUSA-N 2 1 395.572 3.699 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN(Cc4cc(F)cc(C[NH+](C)C)c4)CC[N@H+]3C2)cc1 ZINC001232147155 1035125295 /nfs/dbraw/zinc/12/52/95/1035125295.db2.gz KFIHELHRXDWLMX-ISKFKSNPSA-N 2 1 397.538 3.533 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208956313 1035127335 /nfs/dbraw/zinc/12/73/35/1035127335.db2.gz GXSXPKXCMHRRCC-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208956313 1035127341 /nfs/dbraw/zinc/12/73/41/1035127341.db2.gz GXSXPKXCMHRRCC-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208956313 1035127347 /nfs/dbraw/zinc/12/73/47/1035127347.db2.gz GXSXPKXCMHRRCC-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962747 1035132996 /nfs/dbraw/zinc/13/29/96/1035132996.db2.gz LFHTZSQLQIADSK-PMVMPFDFSA-N 2 1 378.516 3.745 20 0 GHADMP COC(=O)[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962747 1035133003 /nfs/dbraw/zinc/13/30/03/1035133003.db2.gz LFHTZSQLQIADSK-PMVMPFDFSA-N 2 1 378.516 3.745 20 0 GHADMP COC(=O)[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962747 1035133006 /nfs/dbraw/zinc/13/30/06/1035133006.db2.gz LFHTZSQLQIADSK-PMVMPFDFSA-N 2 1 378.516 3.745 20 0 GHADMP CN(CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001209138764 1035189927 /nfs/dbraw/zinc/18/99/27/1035189927.db2.gz BTRQHMIKGDQURY-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001209138764 1035189929 /nfs/dbraw/zinc/18/99/29/1035189929.db2.gz BTRQHMIKGDQURY-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001161412629 1035225576 /nfs/dbraw/zinc/22/55/76/1035225576.db2.gz DYMFRKZOTCQSQT-OALUTQOASA-N 2 1 395.547 3.918 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)Nc2nc3c(s2)C[NH+](C(C)(C)C)CC3)[C@@H]1c1ccccc1 ZINC001161487266 1035240023 /nfs/dbraw/zinc/24/00/23/1035240023.db2.gz PPNMKAVCFVIJMA-LPHOPBHVSA-N 2 1 398.576 3.931 20 0 GHADMP C[NH+]1CC[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)[C@@H]1c1ccccc1 ZINC001161487266 1035240027 /nfs/dbraw/zinc/24/00/27/1035240027.db2.gz PPNMKAVCFVIJMA-LPHOPBHVSA-N 2 1 398.576 3.931 20 0 GHADMP C[NH+]1CC[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)[C@@H]1c1ccccc1 ZINC001161487266 1035240031 /nfs/dbraw/zinc/24/00/31/1035240031.db2.gz PPNMKAVCFVIJMA-LPHOPBHVSA-N 2 1 398.576 3.931 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001461956289 1069913566 /nfs/dbraw/zinc/91/35/66/1069913566.db2.gz LCUJSTWQAULRTC-QTEQDKRBSA-N 2 1 391.600 3.831 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209372203 1035258210 /nfs/dbraw/zinc/25/82/10/1035258210.db2.gz VNMNRSXBMGZYFB-ROUUACIJSA-N 2 1 393.597 3.807 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001161593432 1035267840 /nfs/dbraw/zinc/26/78/40/1035267840.db2.gz BKIVVTLFPXYWKL-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(CCC[NH+]4CCCCC4)CC3)C2)cc1 ZINC001209449646 1035276981 /nfs/dbraw/zinc/27/69/81/1035276981.db2.gz BKSSXBYRRNZWSO-UHFFFAOYSA-N 2 1 385.596 3.538 20 0 GHADMP Clc1cnc2[nH]cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001209596598 1035323559 /nfs/dbraw/zinc/32/35/59/1035323559.db2.gz YSDOZHPRUPOTHW-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cnc2[nH]cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001209596598 1035323565 /nfs/dbraw/zinc/32/35/65/1035323565.db2.gz YSDOZHPRUPOTHW-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cnc2[nH]cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001209596598 1035323571 /nfs/dbraw/zinc/32/35/71/1035323571.db2.gz YSDOZHPRUPOTHW-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cnc2[nH]cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001209596598 1035323578 /nfs/dbraw/zinc/32/35/78/1035323578.db2.gz YSDOZHPRUPOTHW-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP CC[C@@]1(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CCC[NH2+]C1 ZINC001248270748 1035717329 /nfs/dbraw/zinc/71/73/29/1035717329.db2.gz IMQUIGWKAVCLIE-WIYYLYMNSA-N 2 1 381.455 3.639 20 0 GHADMP CC[NH+]1CCC(c2ccc(-c3cccc(C(=O)N4CC[NH+](C)CC4)c3)cc2)CC1 ZINC001241881542 1035740002 /nfs/dbraw/zinc/74/00/02/1035740002.db2.gz FCHJHSKFYSGOBB-UHFFFAOYSA-N 2 1 391.559 3.941 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc21 ZINC001248716958 1036079048 /nfs/dbraw/zinc/07/90/48/1036079048.db2.gz AWTZXWFCFKIIAS-UHFFFAOYSA-N 2 1 394.519 3.701 20 0 GHADMP Cn1ccc(-c2ccc(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc2)n1 ZINC001248764420 1036122967 /nfs/dbraw/zinc/12/29/67/1036122967.db2.gz UDVOXBBOPXTNSZ-PMACEKPBSA-N 2 1 378.545 3.712 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2cccc(Br)c2Cl)no1 ZINC001248896257 1036226982 /nfs/dbraw/zinc/22/69/82/1036226982.db2.gz NLXXNNAUCLFDFT-GFCCVEGCSA-N 2 1 385.693 3.542 20 0 GHADMP COc1ccc(-c2ccc(OCCC[NH+](C)C)cc2)c(C[NH+]2CCOCC2)c1 ZINC001245342142 1036889139 /nfs/dbraw/zinc/88/91/39/1036889139.db2.gz UMTVMPRINYQFRR-UHFFFAOYSA-N 2 1 384.520 3.525 20 0 GHADMP C[C@](O)(C[NH2+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1)c1ccccc1 ZINC001246011099 1037132107 /nfs/dbraw/zinc/13/21/07/1037132107.db2.gz RRLKVYTUCWZRAL-IBGZPJMESA-N 2 1 378.438 3.781 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246019814 1037139201 /nfs/dbraw/zinc/13/92/01/1037139201.db2.gz ANHPHOCGOMNLDV-SFHVURJKSA-N 2 1 393.531 3.669 20 0 GHADMP O[C@@H](C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC001246031982 1037148963 /nfs/dbraw/zinc/14/89/63/1037148963.db2.gz XCZAGUOTUSJJCA-RPBOFIJWSA-N 2 1 398.550 3.868 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246036979 1037152201 /nfs/dbraw/zinc/15/22/01/1037152201.db2.gz WBWCDPUWPSZTPN-FCHUYYIVSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246036979 1037152210 /nfs/dbraw/zinc/15/22/10/1037152210.db2.gz WBWCDPUWPSZTPN-FCHUYYIVSA-N 2 1 394.987 3.504 20 0 GHADMP C[N@@H+](Cc1c(F)cccc1Oc1ccc(Cl)cc1)CC1(O)CC[NH2+]CC1 ZINC001246045073 1037156606 /nfs/dbraw/zinc/15/66/06/1037156606.db2.gz JDBXCNNVBLFPMB-UHFFFAOYSA-N 2 1 378.875 3.818 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC001246045272 1037157800 /nfs/dbraw/zinc/15/78/00/1037157800.db2.gz SJNDHSYOXHKSOU-PCCBWWKXSA-N 2 1 378.438 3.562 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001246045272 1037157810 /nfs/dbraw/zinc/15/78/10/1037157810.db2.gz SJNDHSYOXHKSOU-PCCBWWKXSA-N 2 1 378.438 3.562 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc3ccccc32)CC2(O)CC[NH2+]CC2)cc1 ZINC001246047635 1037159795 /nfs/dbraw/zinc/15/97/95/1037159795.db2.gz VXCYMLGMLSTNRD-UHFFFAOYSA-N 2 1 390.527 3.965 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246050274 1037162976 /nfs/dbraw/zinc/16/29/76/1037162976.db2.gz DCYSSELYAHBAQW-OFNKIYASSA-N 2 1 376.585 3.835 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001246054030 1037164925 /nfs/dbraw/zinc/16/49/25/1037164925.db2.gz BWYHXDGPICGEFZ-CBGDNZLLSA-N 2 1 378.438 3.909 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H](O)COc2cccc(F)c2)CC2CCCCC2)CC1 ZINC001246063659 1037175672 /nfs/dbraw/zinc/17/56/72/1037175672.db2.gz BKDVNJZABMXXKR-NJDAHSKKSA-N 2 1 378.532 3.718 20 0 GHADMP COc1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246066702 1037179737 /nfs/dbraw/zinc/17/97/37/1037179737.db2.gz LVKUYDGLJOPERV-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP Cc1ccccc1C[N@@H+](C[C@H](O)COc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071324 1037185546 /nfs/dbraw/zinc/18/55/46/1037185546.db2.gz RZWBQJHIBCJXGO-FKBYEOEOSA-N 2 1 386.511 3.646 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071520 1037186484 /nfs/dbraw/zinc/18/64/84/1037186484.db2.gz SWJFBMSNZGPRMT-UDIDDNNKSA-N 2 1 391.600 3.747 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N[C@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246113432 1037197416 /nfs/dbraw/zinc/19/74/16/1037197416.db2.gz APIKIQFTLVPESG-ZFFYZDHPSA-N 2 1 375.560 3.703 20 0 GHADMP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123199 1037202967 /nfs/dbraw/zinc/20/29/67/1037202967.db2.gz UFUDQJYOPUGOHX-GGAORHGYSA-N 3 1 387.612 3.529 20 0 GHADMP C[C@@H]1C[C@@H](N[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001246133332 1037209416 /nfs/dbraw/zinc/20/94/16/1037209416.db2.gz QPVIRLKQMAKVJT-LSWJPFSZSA-N 2 1 391.559 3.885 20 0 GHADMP C[C@@H]1C[C@@H](N[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001246133332 1037209421 /nfs/dbraw/zinc/20/94/21/1037209421.db2.gz QPVIRLKQMAKVJT-LSWJPFSZSA-N 2 1 391.559 3.885 20 0 GHADMP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246141549 1037212736 /nfs/dbraw/zinc/21/27/36/1037212736.db2.gz PYJMQVXEYBJMCI-PMOQBDJRSA-N 3 1 379.523 3.975 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([NH2+]CC3CC[NH+](Cc4ccccc4)CC3)CCN2)cc1 ZINC001246170585 1037222140 /nfs/dbraw/zinc/22/21/40/1037222140.db2.gz MCXVZIHROMHXCV-RPBOFIJWSA-N 2 1 377.576 3.852 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+]C3CCC4(CC[NH2+]CC4)CC3)CC2)cc1 ZINC001246343082 1037303546 /nfs/dbraw/zinc/30/35/46/1037303546.db2.gz QYKLQQRIAIUCTA-UHFFFAOYSA-N 3 1 385.596 3.604 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[NH2+]C3(CCC3)C2)c2ccccc12 ZINC001246353347 1037312265 /nfs/dbraw/zinc/31/22/65/1037312265.db2.gz KYXPLOKXWJODJN-HKUYNNGSSA-N 2 1 383.536 3.700 20 0 GHADMP OCC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(Br)c1 ZINC001246358933 1037317112 /nfs/dbraw/zinc/31/71/12/1037317112.db2.gz RLXCHCSGMBQACD-ZCNNSNEGSA-N 2 1 389.337 3.956 20 0 GHADMP OCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(Br)c1 ZINC001246358930 1037317598 /nfs/dbraw/zinc/31/75/98/1037317598.db2.gz RLXCHCSGMBQACD-AQNXPRMDSA-N 2 1 389.337 3.956 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246362235 1037321962 /nfs/dbraw/zinc/32/19/62/1037321962.db2.gz QWYHFHGLFCLNHA-UXHICEINSA-N 2 1 394.401 3.781 20 0 GHADMP C[C@@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246380831 1037338293 /nfs/dbraw/zinc/33/82/93/1037338293.db2.gz KSFRFMSLECFCSV-KNQAVFIVSA-N 2 1 381.539 3.743 20 0 GHADMP COc1cccc(C2(N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246413980 1037369059 /nfs/dbraw/zinc/36/90/59/1037369059.db2.gz HQOTVGOBKSULTD-NZQKXSOJSA-N 2 1 393.575 3.917 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246420494 1037377097 /nfs/dbraw/zinc/37/70/97/1037377097.db2.gz IRUDVRLOLKWSRB-NFBKMPQASA-N 3 1 396.554 3.524 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001246424512 1037382965 /nfs/dbraw/zinc/38/29/65/1037382965.db2.gz UWHBPZMIOFQUJR-OAHLLOKOSA-N 2 1 385.474 3.521 20 0 GHADMP CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246449559 1037410227 /nfs/dbraw/zinc/41/02/27/1037410227.db2.gz NQFWBFVFQYDUAX-RXVVDRJESA-N 2 1 397.563 3.933 20 0 GHADMP O=C([C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)N1CCCCC1 ZINC001246465324 1037419010 /nfs/dbraw/zinc/41/90/10/1037419010.db2.gz VRRAFEDPHJTFDT-FCHUYYIVSA-N 2 1 383.580 3.655 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC[NH2+]1 ZINC001246467100 1037420373 /nfs/dbraw/zinc/42/03/73/1037420373.db2.gz SCAKEGHNILZCHV-QFBILLFUSA-N 2 1 381.499 3.792 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+][C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)C(C)C)cc2ccccc21 ZINC001246482750 1037428252 /nfs/dbraw/zinc/42/82/52/1037428252.db2.gz OBNCMLCBTKXRCK-UTAOTPEMSA-N 2 1 383.536 3.930 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1)C(=O)OCc1ccccc1 ZINC001246491354 1037436932 /nfs/dbraw/zinc/43/69/32/1037436932.db2.gz CVTJKUUJYATVMH-LEWJYISDSA-N 2 1 386.923 3.638 20 0 GHADMP CC[C@H]1CC([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)C[C@H](CC)[NH2+]1 ZINC001246496115 1037441791 /nfs/dbraw/zinc/44/17/91/1037441791.db2.gz CRVNXTIMYCXZAP-BQFCYCMXSA-N 2 1 397.357 3.952 20 0 GHADMP Oc1ccc(Br)c(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246507875 1037448461 /nfs/dbraw/zinc/44/84/61/1037448461.db2.gz ZYCPLABVRRAQEZ-VQIMIIECSA-N 2 1 375.310 3.780 20 0 GHADMP COc1cccc([C@H](C[NH3+])N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001246509938 1037450254 /nfs/dbraw/zinc/45/02/54/1037450254.db2.gz KRGHLQJHCXNDNO-YCSHWKNNSA-N 2 1 379.548 3.870 20 0 GHADMP COC(=O)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001246522675 1037455130 /nfs/dbraw/zinc/45/51/30/1037455130.db2.gz DWSHJDHXNCCHJN-AAUAJYIVSA-N 2 1 395.547 3.504 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1C1CCC(Cc3ccccc3)CC1)CC[NH2+]CC2 ZINC001246606994 1037503216 /nfs/dbraw/zinc/50/32/16/1037503216.db2.gz ZGHSVFVXLVWIBY-LZBANZJXSA-N 2 1 384.564 3.795 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246608631 1037503291 /nfs/dbraw/zinc/50/32/91/1037503291.db2.gz IAMNMCDURHEHGB-FQEVSTJZSA-N 2 1 392.385 3.884 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246624983 1037515412 /nfs/dbraw/zinc/51/54/12/1037515412.db2.gz QNPXXSNJFREYEP-LEWJYISDSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246624983 1037515425 /nfs/dbraw/zinc/51/54/25/1037515425.db2.gz QNPXXSNJFREYEP-LEWJYISDSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246624992 1037516059 /nfs/dbraw/zinc/51/60/59/1037516059.db2.gz QNPXXSNJFREYEP-RTWAWAEBSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246624992 1037516080 /nfs/dbraw/zinc/51/60/80/1037516080.db2.gz QNPXXSNJFREYEP-RTWAWAEBSA-N 2 1 397.360 3.995 20 0 GHADMP C[C@@H]1C[C@H](N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC001246637139 1037524144 /nfs/dbraw/zinc/52/41/44/1037524144.db2.gz OQUJWCOBTMALDF-NZSAHSFTSA-N 2 1 381.486 3.798 20 0 GHADMP [NH3+][C@H]1[C@H]2C[N@@H+]([C@H]3CC[C@]4(c5ccccc5)CC[NH+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661804 1037533036 /nfs/dbraw/zinc/53/30/36/1037533036.db2.gz LODDRRYEOPGXCE-KTKTTYTDSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@H]1[C@H]2C[NH+]([C@H]3CC[C@]4(c5ccccc5)CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661804 1037533051 /nfs/dbraw/zinc/53/30/51/1037533051.db2.gz LODDRRYEOPGXCE-KTKTTYTDSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@H]1[C@H]2C[NH+]([C@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661804 1037533067 /nfs/dbraw/zinc/53/30/67/1037533067.db2.gz LODDRRYEOPGXCE-KTKTTYTDSA-N 2 1 387.571 3.640 20 0 GHADMP [NH3+][C@H]1[C@H]2CN([C@H]3CC[C@]4(c5ccccc5)CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661804 1037533080 /nfs/dbraw/zinc/53/30/80/1037533080.db2.gz LODDRRYEOPGXCE-KTKTTYTDSA-N 2 1 387.571 3.640 20 0 GHADMP [NH3+][C@H]1[C@H]2CN([C@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661804 1037533090 /nfs/dbraw/zinc/53/30/90/1037533090.db2.gz LODDRRYEOPGXCE-KTKTTYTDSA-N 2 1 387.571 3.640 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673469 1037541415 /nfs/dbraw/zinc/54/14/15/1037541415.db2.gz NABGUJHILFBUEV-PQNGQFLHSA-N 2 1 378.516 3.958 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673469 1037541429 /nfs/dbraw/zinc/54/14/29/1037541429.db2.gz NABGUJHILFBUEV-PQNGQFLHSA-N 2 1 378.516 3.958 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677547 1037544200 /nfs/dbraw/zinc/54/42/00/1037544200.db2.gz VTMFRDDFVMNVLC-SAJDGTNDSA-N 2 1 396.554 3.964 20 0 GHADMP Cn1cnc2c1cc(C1CC[NH+]([C@H]3CCCC[NH2+]C3)CC1)nc2-c1ccccc1 ZINC001246698817 1037555356 /nfs/dbraw/zinc/55/53/56/1037555356.db2.gz WXEOQTUORSXJJE-FQEVSTJZSA-N 2 1 389.547 3.957 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)CC[NH2+]2)cc1 ZINC001246706605 1037557590 /nfs/dbraw/zinc/55/75/90/1037557590.db2.gz ZVSXVCPVPGJHNR-QORCZRPOSA-N 2 1 391.559 3.987 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)CC[NH2+]2)cc1 ZINC001246706605 1037557611 /nfs/dbraw/zinc/55/76/11/1037557611.db2.gz ZVSXVCPVPGJHNR-QORCZRPOSA-N 2 1 391.559 3.987 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]1 ZINC001246708409 1037561080 /nfs/dbraw/zinc/56/10/80/1037561080.db2.gz JUBMNYALSMCFLQ-OQLXKQOESA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]1 ZINC001246708409 1037561092 /nfs/dbraw/zinc/56/10/92/1037561092.db2.gz JUBMNYALSMCFLQ-OQLXKQOESA-N 2 1 387.568 3.642 20 0 GHADMP c1ccc(N2CCC[C@@]3(C2)C[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)cc1 ZINC001246714063 1037563924 /nfs/dbraw/zinc/56/39/24/1037563924.db2.gz IOPAUVQSWUPNPY-ISKFKSNPSA-N 2 1 383.580 3.813 20 0 GHADMP c1ccc(N2CCC[C@@]3(C2)C[N@@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)cc1 ZINC001246714063 1037563939 /nfs/dbraw/zinc/56/39/39/1037563939.db2.gz IOPAUVQSWUPNPY-ISKFKSNPSA-N 2 1 383.580 3.813 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246714954 1037567585 /nfs/dbraw/zinc/56/75/85/1037567585.db2.gz AAESOLUUEWNKFI-LGVFNWMJSA-N 2 1 385.596 3.975 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246714954 1037567603 /nfs/dbraw/zinc/56/76/03/1037567603.db2.gz AAESOLUUEWNKFI-LGVFNWMJSA-N 2 1 385.596 3.975 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)c1 ZINC001246744132 1037585976 /nfs/dbraw/zinc/58/59/76/1037585976.db2.gz JNFKRLDIPWCGHF-NMVJMZGASA-N 2 1 389.543 3.917 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)c1 ZINC001246744132 1037585998 /nfs/dbraw/zinc/58/59/98/1037585998.db2.gz JNFKRLDIPWCGHF-NMVJMZGASA-N 2 1 389.543 3.917 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CC[NH2+]1 ZINC001246756932 1037598946 /nfs/dbraw/zinc/59/89/46/1037598946.db2.gz UBNJKKLAMWPKPE-NCYKPQTJSA-N 2 1 378.564 3.969 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](C4CCC5(CCC[NH2+]C5)CC4)CC3)C2)cc1 ZINC001246758152 1037599766 /nfs/dbraw/zinc/59/97/66/1037599766.db2.gz NYFZKBYFMGPDFE-UHFFFAOYSA-N 3 1 397.607 3.666 20 0 GHADMP c1ccc(CN2CCOC3(CC[NH+](C4CCC5(CCC[NH2+]C5)CC4)CC3)C2)cc1 ZINC001246758152 1037599790 /nfs/dbraw/zinc/59/97/90/1037599790.db2.gz NYFZKBYFMGPDFE-UHFFFAOYSA-N 2 1 397.607 3.666 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1cccc(F)c1 ZINC001246759183 1037602083 /nfs/dbraw/zinc/60/20/83/1037602083.db2.gz QLWZOHGWXVPKOO-UNMCSNQZSA-N 2 1 385.527 3.709 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764177 1037606768 /nfs/dbraw/zinc/60/67/68/1037606768.db2.gz FQOYGAYWBLBCTM-GDMUPCAJSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764177 1037606775 /nfs/dbraw/zinc/60/67/75/1037606775.db2.gz FQOYGAYWBLBCTM-GDMUPCAJSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764177 1037606789 /nfs/dbraw/zinc/60/67/89/1037606789.db2.gz FQOYGAYWBLBCTM-GDMUPCAJSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764177 1037606797 /nfs/dbraw/zinc/60/67/97/1037606797.db2.gz FQOYGAYWBLBCTM-GDMUPCAJSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764177 1037606803 /nfs/dbraw/zinc/60/68/03/1037606803.db2.gz FQOYGAYWBLBCTM-GDMUPCAJSA-N 3 1 384.612 3.925 20 0 GHADMP Cc1cccc2c1CC[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246773954 1037616047 /nfs/dbraw/zinc/61/60/47/1037616047.db2.gz WWNFKPGAKIJHDH-OAQYLSRUSA-N 2 1 378.564 3.987 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246782859 1037623418 /nfs/dbraw/zinc/62/34/18/1037623418.db2.gz LMUYVBWAWNJXJN-RTBURBONSA-N 2 1 394.401 3.733 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246812654 1037644384 /nfs/dbraw/zinc/64/43/84/1037644384.db2.gz VPGYHHGSXPCFEF-UTSGNWPNSA-N 2 1 381.564 3.553 20 0 GHADMP Cc1ccccc1O[C@H](CC[N@H+](C)[C@@H]1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246824821 1037658029 /nfs/dbraw/zinc/65/80/29/1037658029.db2.gz TWVGIWOICNDKKM-FYYLOGMGSA-N 2 1 380.532 3.958 20 0 GHADMP CCOC(=O)[C@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1c1ccccc1 ZINC001246856202 1037679297 /nfs/dbraw/zinc/67/92/97/1037679297.db2.gz ZPCJEAODLBBKCZ-VXKWHMMOSA-N 2 1 384.564 3.968 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)CC[NH2+]1 ZINC001246868302 1037686590 /nfs/dbraw/zinc/68/65/90/1037686590.db2.gz RTHJIZZGMJDWPK-QDSKXPNFSA-N 2 1 379.523 3.842 20 0 GHADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)ccc2c1 ZINC001246868165 1037686771 /nfs/dbraw/zinc/68/67/71/1037686771.db2.gz ALDXXHNZTJDCPB-WZONZLPQSA-N 2 1 381.564 3.524 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C1)C2 ZINC001246880769 1037694053 /nfs/dbraw/zinc/69/40/53/1037694053.db2.gz RUIPMLLIHBMHMN-PDSFRDGWSA-N 2 1 384.564 3.748 20 0 GHADMP c1ccc(C[C@H]2C[C@@H](N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)CC[NH2+]2)cc1 ZINC001246910273 1037719959 /nfs/dbraw/zinc/71/99/59/1037719959.db2.gz KLULTRZVEOXQBC-ROHNOIKCSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CC[NH2+]2)cc1 ZINC001246910273 1037719978 /nfs/dbraw/zinc/71/99/78/1037719978.db2.gz KLULTRZVEOXQBC-ROHNOIKCSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CC[NH2+]2)cc1 ZINC001246910273 1037719993 /nfs/dbraw/zinc/71/99/93/1037719993.db2.gz KLULTRZVEOXQBC-ROHNOIKCSA-N 2 1 375.560 3.556 20 0 GHADMP CC1(C)C[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246929843 1037732383 /nfs/dbraw/zinc/73/23/83/1037732383.db2.gz HATLRQBWEGCUOA-PKTZIBPZSA-N 2 1 391.559 3.820 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001246935353 1037738855 /nfs/dbraw/zinc/73/88/55/1037738855.db2.gz HEHIIWXOGVSMMV-KRWDZBQOSA-N 2 1 384.495 3.798 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246940469 1037745339 /nfs/dbraw/zinc/74/53/39/1037745339.db2.gz FDRUEUXNPNGANC-CTNGQTDRSA-N 2 1 376.516 3.749 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246952427 1037754723 /nfs/dbraw/zinc/75/47/23/1037754723.db2.gz SCZBSBZSICDBMM-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP CCOCC[N@@H+](C1CC[NH2+]CC1)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001246951712 1037755437 /nfs/dbraw/zinc/75/54/37/1037755437.db2.gz WTCKJEBDQIQCCZ-UHFFFAOYSA-N 2 1 388.552 3.729 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246951577 1037756180 /nfs/dbraw/zinc/75/61/80/1037756180.db2.gz LZFVJMACMWPOOK-ICSRJNTNSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953569 1037759444 /nfs/dbraw/zinc/75/94/44/1037759444.db2.gz BJDRWFIBXNCOFO-AEFFLSMTSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953573 1037760127 /nfs/dbraw/zinc/76/01/27/1037760127.db2.gz BJDRWFIBXNCOFO-SJLPKXTDSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)C1(C)CCC([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955432 1037765664 /nfs/dbraw/zinc/76/56/64/1037765664.db2.gz LZUNZOJFUQIWDZ-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955432 1037765687 /nfs/dbraw/zinc/76/56/87/1037765687.db2.gz LZUNZOJFUQIWDZ-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)C1 ZINC001246957551 1037772000 /nfs/dbraw/zinc/77/20/00/1037772000.db2.gz BUMQBTXHZIEFJN-UTKZUKDTSA-N 2 1 376.516 3.810 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246961778 1037783807 /nfs/dbraw/zinc/78/38/07/1037783807.db2.gz AKPMXRGPSOOEFM-QZTJIDSGSA-N 2 1 385.527 3.701 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246961778 1037783827 /nfs/dbraw/zinc/78/38/27/1037783827.db2.gz AKPMXRGPSOOEFM-QZTJIDSGSA-N 2 1 385.527 3.701 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246962651 1037784723 /nfs/dbraw/zinc/78/47/23/1037784723.db2.gz JWHHGRLBLKTSLY-JKSUJKDBSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246962651 1037784741 /nfs/dbraw/zinc/78/47/41/1037784741.db2.gz JWHHGRLBLKTSLY-JKSUJKDBSA-N 2 1 380.479 3.641 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246967517 1037789392 /nfs/dbraw/zinc/78/93/92/1037789392.db2.gz FGEWDSWPOZNWRJ-ZVDOUQERSA-N 2 1 399.510 3.874 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246967517 1037789412 /nfs/dbraw/zinc/78/94/12/1037789412.db2.gz FGEWDSWPOZNWRJ-ZVDOUQERSA-N 2 1 399.510 3.874 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969389 1037792085 /nfs/dbraw/zinc/79/20/85/1037792085.db2.gz KSLUOIXJVJATJM-ILXRZTDVSA-N 2 1 386.462 3.505 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969389 1037792097 /nfs/dbraw/zinc/79/20/97/1037792097.db2.gz KSLUOIXJVJATJM-ILXRZTDVSA-N 2 1 386.462 3.505 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)cc1 ZINC001246975987 1037800966 /nfs/dbraw/zinc/80/09/66/1037800966.db2.gz WEGCPHWIAVKQAO-QFIPXVFZSA-N 2 1 399.579 3.592 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246998212 1037820329 /nfs/dbraw/zinc/82/03/29/1037820329.db2.gz XWBUFZGDHHDMBS-VJBWXMMDSA-N 2 1 378.516 3.935 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246998212 1037820357 /nfs/dbraw/zinc/82/03/57/1037820357.db2.gz XWBUFZGDHHDMBS-VJBWXMMDSA-N 2 1 378.516 3.935 20 0 GHADMP Cc1ccc2c(c1)nc(-c1ccc(C[NH+]3CCOCC3)cc1)n2C1CC[NH2+]CC1 ZINC001247037064 1037859754 /nfs/dbraw/zinc/85/97/54/1037859754.db2.gz APAJUTQEEKWNMN-UHFFFAOYSA-N 2 1 390.531 3.768 20 0 GHADMP CNc1ccccc1C[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001232668573 1038466133 /nfs/dbraw/zinc/46/61/33/1038466133.db2.gz TYROCRRPOPRRRG-JOCHJYFZSA-N 2 1 394.563 3.626 20 0 GHADMP CC(C)(C)Oc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247905190 1038476352 /nfs/dbraw/zinc/47/63/52/1038476352.db2.gz LSMGDZHUIXLEIE-KRWDZBQOSA-N 2 1 384.524 3.845 20 0 GHADMP Cc1c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cccc1C(F)(F)F ZINC001247904463 1038476594 /nfs/dbraw/zinc/47/65/94/1038476594.db2.gz GIZYGPLWJISCLE-CQSZACIVSA-N 2 1 394.441 3.995 20 0 GHADMP COc1cc(Cl)cc(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001233001913 1038763192 /nfs/dbraw/zinc/76/31/92/1038763192.db2.gz MEMPAEVYAZRPGC-UHFFFAOYSA-N 2 1 384.923 3.812 20 0 GHADMP CCOC(=O)c1ccsc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001233019932 1038772474 /nfs/dbraw/zinc/77/24/74/1038772474.db2.gz UBXGBZQKFAXWLQ-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP CCOC(=O)c1ccsc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001233019932 1038772481 /nfs/dbraw/zinc/77/24/81/1038772481.db2.gz UBXGBZQKFAXWLQ-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP COc1cccc(CC2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001252932660 1039270502 /nfs/dbraw/zinc/27/05/02/1039270502.db2.gz VYNIOJKTONXKAW-VWLOTQADSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(CC2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001252932660 1039270519 /nfs/dbraw/zinc/27/05/19/1039270519.db2.gz VYNIOJKTONXKAW-VWLOTQADSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252935343 1039272049 /nfs/dbraw/zinc/27/20/49/1039272049.db2.gz ZLDKHBNIJGSIIO-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252935343 1039272057 /nfs/dbraw/zinc/27/20/57/1039272057.db2.gz ZLDKHBNIJGSIIO-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@H]2CCC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252935343 1039272066 /nfs/dbraw/zinc/27/20/66/1039272066.db2.gz ZLDKHBNIJGSIIO-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@H]2CCC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252935343 1039272082 /nfs/dbraw/zinc/27/20/82/1039272082.db2.gz ZLDKHBNIJGSIIO-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP O[C@]1(CNC2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948810 1039292268 /nfs/dbraw/zinc/29/22/68/1039292268.db2.gz XUJRKCARAFTLJO-FQEVSTJZSA-N 2 1 390.449 3.921 20 0 GHADMP O[C@]1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CCN(Cc2ccccc2)C1 ZINC001252948810 1039292278 /nfs/dbraw/zinc/29/22/78/1039292278.db2.gz XUJRKCARAFTLJO-FQEVSTJZSA-N 2 1 390.449 3.921 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C4CCCCC4)C3)CC2)cc1 ZINC001253292545 1039540852 /nfs/dbraw/zinc/54/08/52/1039540852.db2.gz PHRLWXBOTCIQAQ-JOCHJYFZSA-N 2 1 398.595 3.619 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC001253292545 1039540860 /nfs/dbraw/zinc/54/08/60/1039540860.db2.gz PHRLWXBOTCIQAQ-JOCHJYFZSA-N 2 1 398.595 3.619 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC001253292545 1039540872 /nfs/dbraw/zinc/54/08/72/1039540872.db2.gz PHRLWXBOTCIQAQ-JOCHJYFZSA-N 2 1 398.595 3.619 20 0 GHADMP O[C@@H](CCOCc1ccccc1)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001253298998 1039545941 /nfs/dbraw/zinc/54/59/41/1039545941.db2.gz XIWWHULVFAATEO-JBXUNAHCSA-N 2 1 394.559 3.739 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352028 1039564622 /nfs/dbraw/zinc/56/46/22/1039564622.db2.gz UDIQZGGVELMLHQ-LEWJYISDSA-N 2 1 390.474 3.968 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C2 ZINC001253491122 1039671804 /nfs/dbraw/zinc/67/18/04/1039671804.db2.gz PSZVKMWXQJSPGF-QIJUGHKUSA-N 2 1 378.988 3.933 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001253828417 1039835255 /nfs/dbraw/zinc/83/52/55/1039835255.db2.gz RNDGSRFGRUFXOS-QHCPKHFHSA-N 2 1 382.548 3.579 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001234270470 1039946503 /nfs/dbraw/zinc/94/65/03/1039946503.db2.gz XQSPRPXMAUDBCK-UHFFFAOYSA-N 2 1 392.591 3.976 20 0 GHADMP OC1(C[N@H+]2CCSC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038470 1039969142 /nfs/dbraw/zinc/96/91/42/1039969142.db2.gz ILRCVGRDPOHVSN-QFIPXVFZSA-N 2 1 382.573 3.804 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3C3CCC4(CC4)CC3)O2)CC1 ZINC001254442785 1040234112 /nfs/dbraw/zinc/23/41/12/1040234112.db2.gz MKXJAAZARPTFKQ-YPAWHYETSA-N 2 1 376.585 3.690 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(OC3CCOCC3)c(C(F)(F)F)c2)CC1 ZINC001254512167 1040290837 /nfs/dbraw/zinc/29/08/37/1040290837.db2.gz JMXJXUJCGSFBAJ-INIZCTEOSA-N 2 1 386.458 3.837 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531738 1040303453 /nfs/dbraw/zinc/30/34/53/1040303453.db2.gz KWYXQXVPODXGLB-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531738 1040303459 /nfs/dbraw/zinc/30/34/59/1040303459.db2.gz KWYXQXVPODXGLB-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531738 1040303465 /nfs/dbraw/zinc/30/34/65/1040303465.db2.gz KWYXQXVPODXGLB-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001254533629 1040306154 /nfs/dbraw/zinc/30/61/54/1040306154.db2.gz NVGFEWOBATYZHV-QGZVFWFLSA-N 2 1 384.442 3.964 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001254533629 1040306171 /nfs/dbraw/zinc/30/61/71/1040306171.db2.gz NVGFEWOBATYZHV-QGZVFWFLSA-N 2 1 384.442 3.964 20 0 GHADMP Clc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1I ZINC001235106389 1040593942 /nfs/dbraw/zinc/59/39/42/1040593942.db2.gz MJRRSWASAPIZFT-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP Ic1cccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235151703 1040643173 /nfs/dbraw/zinc/64/31/73/1040643173.db2.gz AJRGERHGMWOHFL-KRWDZBQOSA-N 2 1 384.305 3.645 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912199 1040663476 /nfs/dbraw/zinc/66/34/76/1040663476.db2.gz AUTYVEPYWFHDOR-SSTJLMRISA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912199 1040663482 /nfs/dbraw/zinc/66/34/82/1040663482.db2.gz AUTYVEPYWFHDOR-SSTJLMRISA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912199 1040663487 /nfs/dbraw/zinc/66/34/87/1040663487.db2.gz AUTYVEPYWFHDOR-SSTJLMRISA-N 2 1 391.600 3.971 20 0 GHADMP Ic1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235232166 1040711470 /nfs/dbraw/zinc/71/14/70/1040711470.db2.gz VHEAYFRNVQXKQZ-QGZVFWFLSA-N 2 1 384.305 3.645 20 0 GHADMP Brc1ccc2[nH]c(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)nc2c1 ZINC001235238944 1040718811 /nfs/dbraw/zinc/71/88/11/1040718811.db2.gz GTCUTFVKLCCFPX-HNNXBMFYSA-N 2 1 377.330 3.680 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc3cc(Br)ccn23)CC1 ZINC001235290800 1040761231 /nfs/dbraw/zinc/76/12/31/1040761231.db2.gz WZSGFCBFFQTZBN-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]CC4COC4)C[C@@H]23)cc1 ZINC001255073062 1040767122 /nfs/dbraw/zinc/76/71/22/1040767122.db2.gz MYJTZQSDYCMHKA-ISJGIBHGSA-N 2 1 376.544 3.987 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255103996 1040784903 /nfs/dbraw/zinc/78/49/03/1040784903.db2.gz AGXZOOACDLAYMT-XKLOLAMKSA-N 2 1 395.550 3.837 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(OC)ncc2F)CC3)c1 ZINC001235317763 1040789648 /nfs/dbraw/zinc/78/96/48/1040789648.db2.gz ZOXODKCGJLCMRM-UHFFFAOYSA-N 2 1 399.510 3.726 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccccc1C(F)F)C2 ZINC001235319474 1040791651 /nfs/dbraw/zinc/79/16/51/1040791651.db2.gz CFAXZINEGUTFMQ-PGRDOPGGSA-N 2 1 392.490 3.769 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CCC4(CC[NH+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001255115310 1040800196 /nfs/dbraw/zinc/80/01/96/1040800196.db2.gz MDKJLKDNGHNVOP-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001255115310 1040800208 /nfs/dbraw/zinc/80/02/08/1040800208.db2.gz MDKJLKDNGHNVOP-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001255115310 1040800231 /nfs/dbraw/zinc/80/02/31/1040800231.db2.gz MDKJLKDNGHNVOP-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP Cc1c(Br)cc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1Br ZINC001235342538 1040813034 /nfs/dbraw/zinc/81/30/34/1040813034.db2.gz XKFMEJKDKWTHMB-GFCCVEGCSA-N 2 1 388.147 3.561 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255125524 1040818065 /nfs/dbraw/zinc/81/80/65/1040818065.db2.gz WICNSYVOYRCGDX-CZLMFIFXSA-N 2 1 385.552 3.827 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235350798 1040826819 /nfs/dbraw/zinc/82/68/19/1040826819.db2.gz UAGKERWQUNOPOK-ICSRJNTNSA-N 2 1 398.469 3.503 20 0 GHADMP [NH3+]C1(Cc2cccnc2)CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132549 1040827753 /nfs/dbraw/zinc/82/77/53/1040827753.db2.gz MMKYNSRFKDMNHL-UBRQYEGLSA-N 2 1 390.575 3.613 20 0 GHADMP Fc1ccccc1-c1ncc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cn1 ZINC001235351568 1040829091 /nfs/dbraw/zinc/82/90/91/1040829091.db2.gz RLPOFFXXPSPULE-ZJSXRUAMSA-N 2 1 388.490 3.862 20 0 GHADMP Fc1ccccc1-c1ncc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cn1 ZINC001235351568 1040829107 /nfs/dbraw/zinc/82/91/07/1040829107.db2.gz RLPOFFXXPSPULE-ZJSXRUAMSA-N 2 1 388.490 3.862 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cc(C)c(OCCO)c(C)c4)C[C@@H]3C2)cc1 ZINC001235353314 1040829405 /nfs/dbraw/zinc/82/94/05/1040829405.db2.gz CXZXDANPGWVXOL-PSWAGMNNSA-N 2 1 394.559 3.547 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cc(C)c(OCCO)c(C)c4)C[C@@H]3C2)cc1 ZINC001235353314 1040829421 /nfs/dbraw/zinc/82/94/21/1040829421.db2.gz CXZXDANPGWVXOL-PSWAGMNNSA-N 2 1 394.559 3.547 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cc(C)c(OCCO)c(C)c4)C[C@@H]3C2)cc1 ZINC001235353314 1040829438 /nfs/dbraw/zinc/82/94/38/1040829438.db2.gz CXZXDANPGWVXOL-PSWAGMNNSA-N 2 1 394.559 3.547 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cc(C)c(OCCO)c(C)c4)C[C@@H]3C2)cc1 ZINC001235353314 1040829458 /nfs/dbraw/zinc/82/94/58/1040829458.db2.gz CXZXDANPGWVXOL-PSWAGMNNSA-N 2 1 394.559 3.547 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c[nH]c21 ZINC001235356481 1040835399 /nfs/dbraw/zinc/83/53/99/1040835399.db2.gz YGEMEGYKCZEMDS-ZJSXRUAMSA-N 2 1 389.499 3.534 20 0 GHADMP Oc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC001255137275 1040840978 /nfs/dbraw/zinc/84/09/78/1040840978.db2.gz QJOOFBGDVSRAEU-NUNAXRQHSA-N 2 1 377.532 3.710 20 0 GHADMP Oc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC001255137275 1040840991 /nfs/dbraw/zinc/84/09/91/1040840991.db2.gz QJOOFBGDVSRAEU-NUNAXRQHSA-N 2 1 377.532 3.710 20 0 GHADMP O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1Cc1ccccc1 ZINC001255140865 1040848780 /nfs/dbraw/zinc/84/87/80/1040848780.db2.gz RODOQQVHGDHVBY-VCDBXAJLSA-N 2 1 376.544 3.860 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255144485 1040856583 /nfs/dbraw/zinc/85/65/83/1040856583.db2.gz UFXIDKICWFOKSD-KBOSCXGNSA-N 2 1 395.591 3.905 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255144485 1040856589 /nfs/dbraw/zinc/85/65/89/1040856589.db2.gz UFXIDKICWFOKSD-KBOSCXGNSA-N 2 1 395.591 3.905 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255144489 1040857916 /nfs/dbraw/zinc/85/79/16/1040857916.db2.gz UFXIDKICWFOKSD-STAYPELNSA-N 2 1 395.591 3.905 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255144489 1040857926 /nfs/dbraw/zinc/85/79/26/1040857926.db2.gz UFXIDKICWFOKSD-STAYPELNSA-N 2 1 395.591 3.905 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235369191 1040865143 /nfs/dbraw/zinc/86/51/43/1040865143.db2.gz XPFGEEXIEQOLIU-QPPBQGQZSA-N 2 1 380.532 3.847 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235369191 1040865150 /nfs/dbraw/zinc/86/51/50/1040865150.db2.gz XPFGEEXIEQOLIU-QPPBQGQZSA-N 2 1 380.532 3.847 20 0 GHADMP Brc1ccc2cc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)ccc2c1 ZINC001235368665 1040865219 /nfs/dbraw/zinc/86/52/19/1040865219.db2.gz NSGMBPBQCAVZGU-MISYRCLQSA-N 2 1 387.321 3.555 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001255149737 1040866350 /nfs/dbraw/zinc/86/63/50/1040866350.db2.gz MZZGCWJEDFJWNH-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001255149737 1040866354 /nfs/dbraw/zinc/86/63/54/1040866354.db2.gz MZZGCWJEDFJWNH-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001255149737 1040866370 /nfs/dbraw/zinc/86/63/70/1040866370.db2.gz MZZGCWJEDFJWNH-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001255149737 1040866376 /nfs/dbraw/zinc/86/63/76/1040866376.db2.gz MZZGCWJEDFJWNH-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@@H+](Cc2ccccc2Oc2cnccn2)C3)cc1 ZINC001235374021 1040883453 /nfs/dbraw/zinc/88/34/53/1040883453.db2.gz BUTBRBDOEUPBRL-QPPBQGQZSA-N 2 1 386.499 3.848 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](Cc2ccccc2Oc2cnccn2)C3)cc1 ZINC001235374021 1040883464 /nfs/dbraw/zinc/88/34/64/1040883464.db2.gz BUTBRBDOEUPBRL-QPPBQGQZSA-N 2 1 386.499 3.848 20 0 GHADMP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379255 1040898910 /nfs/dbraw/zinc/89/89/10/1040898910.db2.gz CHSZORNHDDWENR-YKSBVNFPSA-N 2 1 389.499 3.534 20 0 GHADMP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235379255 1040898920 /nfs/dbraw/zinc/89/89/20/1040898920.db2.gz CHSZORNHDDWENR-YKSBVNFPSA-N 2 1 389.499 3.534 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001255208841 1040905727 /nfs/dbraw/zinc/90/57/27/1040905727.db2.gz BPNGFLDSXVPIGP-FNAHDJPLSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+](C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001255208841 1040905731 /nfs/dbraw/zinc/90/57/31/1040905731.db2.gz BPNGFLDSXVPIGP-FNAHDJPLSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+](C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001255208841 1040905733 /nfs/dbraw/zinc/90/57/33/1040905733.db2.gz BPNGFLDSXVPIGP-FNAHDJPLSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001255216893 1040910943 /nfs/dbraw/zinc/91/09/43/1040910943.db2.gz HZZNXFHTUNGVHI-AERCQKQUSA-N 2 1 377.573 3.867 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C2 ZINC001235408059 1040918485 /nfs/dbraw/zinc/91/84/85/1040918485.db2.gz STXWNRPEZNJVHI-AEFFLSMTSA-N 2 1 382.405 3.619 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C2 ZINC001235408059 1040918503 /nfs/dbraw/zinc/91/85/03/1040918503.db2.gz STXWNRPEZNJVHI-AEFFLSMTSA-N 2 1 382.405 3.619 20 0 GHADMP COc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC001235422436 1040925902 /nfs/dbraw/zinc/92/59/02/1040925902.db2.gz DCEFMSVMCGOHMU-KBPBESRZSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(OC)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC001235426432 1040927560 /nfs/dbraw/zinc/92/75/60/1040927560.db2.gz KWKFEXPJKAEAED-HUUCEWRRSA-N 2 1 397.357 3.678 20 0 GHADMP C[N@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC001235432098 1040933654 /nfs/dbraw/zinc/93/36/54/1040933654.db2.gz IDQXRYHMDICBRD-UHFFFAOYSA-N 2 1 381.236 3.779 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235481533 1040954823 /nfs/dbraw/zinc/95/48/23/1040954823.db2.gz CSBOIIAPSXRACG-HSZRJFAPSA-N 3 1 379.548 3.802 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccccc3CN3CCOCC3)CC2)cc1 ZINC001255381983 1040972759 /nfs/dbraw/zinc/97/27/59/1040972759.db2.gz AUCPJYJJGYINMH-RUZDIDTESA-N 2 1 393.575 3.663 20 0 GHADMP C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001255386964 1040975618 /nfs/dbraw/zinc/97/56/18/1040975618.db2.gz DGLIPSMKCSKCTE-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235524566 1040975669 /nfs/dbraw/zinc/97/56/69/1040975669.db2.gz AIAYESDXSXVCIN-AEFFLSMTSA-N 2 1 383.552 3.527 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001235524566 1040975675 /nfs/dbraw/zinc/97/56/75/1040975675.db2.gz AIAYESDXSXVCIN-AEFFLSMTSA-N 3 1 383.552 3.527 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235524566 1040975679 /nfs/dbraw/zinc/97/56/79/1040975679.db2.gz AIAYESDXSXVCIN-AEFFLSMTSA-N 3 1 383.552 3.527 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389666 1040978387 /nfs/dbraw/zinc/97/83/87/1040978387.db2.gz PDLGQKMDRVFPSF-UNMCSNQZSA-N 2 1 382.504 3.641 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389666 1040978390 /nfs/dbraw/zinc/97/83/90/1040978390.db2.gz PDLGQKMDRVFPSF-UNMCSNQZSA-N 2 1 382.504 3.641 20 0 GHADMP Fc1ccc(C2(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CCOCC2)nc1 ZINC001255391917 1040980550 /nfs/dbraw/zinc/98/05/50/1040980550.db2.gz FMUTUNLREGYEQV-QFIPXVFZSA-N 2 1 397.538 3.913 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255395411 1040981629 /nfs/dbraw/zinc/98/16/29/1040981629.db2.gz ACLDYOBDWIBOAM-RTWAWAEBSA-N 2 1 380.532 3.988 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@@H](C)O)[C@@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255399433 1040985421 /nfs/dbraw/zinc/98/54/21/1040985421.db2.gz RVDOCTFPXVBDNE-ZJSXRUAMSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccc(CC[NH+](C[C@@H](C)O)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255399433 1040985425 /nfs/dbraw/zinc/98/54/25/1040985425.db2.gz RVDOCTFPXVBDNE-ZJSXRUAMSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccc(CC[NH+](C[C@@H](C)O)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255399433 1040985431 /nfs/dbraw/zinc/98/54/31/1040985431.db2.gz RVDOCTFPXVBDNE-ZJSXRUAMSA-N 2 1 396.575 3.975 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400699 1040986454 /nfs/dbraw/zinc/98/64/54/1040986454.db2.gz MPGHMYNSKNYSGW-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+](CCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255400699 1040986456 /nfs/dbraw/zinc/98/64/56/1040986456.db2.gz MPGHMYNSKNYSGW-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+](CCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255400699 1040986458 /nfs/dbraw/zinc/98/64/58/1040986458.db2.gz MPGHMYNSKNYSGW-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401708 1040988744 /nfs/dbraw/zinc/98/87/44/1040988744.db2.gz WZODHCWBSRZTHO-NJYVYQBISA-N 2 1 385.552 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401708 1040988750 /nfs/dbraw/zinc/98/87/50/1040988750.db2.gz WZODHCWBSRZTHO-NJYVYQBISA-N 2 1 385.552 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[NH+]2[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255401708 1040988751 /nfs/dbraw/zinc/98/87/51/1040988751.db2.gz WZODHCWBSRZTHO-NJYVYQBISA-N 2 1 385.552 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[NH+]2[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255401708 1040988754 /nfs/dbraw/zinc/98/87/54/1040988754.db2.gz WZODHCWBSRZTHO-NJYVYQBISA-N 2 1 385.552 3.735 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255401662 1040989035 /nfs/dbraw/zinc/98/90/35/1040989035.db2.gz KEEHWGYHXFDXPR-YKSBVNFPSA-N 2 1 375.516 3.637 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255401662 1040989041 /nfs/dbraw/zinc/98/90/41/1040989041.db2.gz KEEHWGYHXFDXPR-YKSBVNFPSA-N 2 1 375.516 3.637 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255401662 1040989049 /nfs/dbraw/zinc/98/90/49/1040989049.db2.gz KEEHWGYHXFDXPR-YKSBVNFPSA-N 2 1 375.516 3.637 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001255409950 1041000989 /nfs/dbraw/zinc/00/09/89/1041000989.db2.gz NWYAGWVDJMTOCG-KMDXXIMOSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001255409950 1041001012 /nfs/dbraw/zinc/00/10/12/1041001012.db2.gz NWYAGWVDJMTOCG-KMDXXIMOSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001255409950 1041001051 /nfs/dbraw/zinc/00/10/51/1041001051.db2.gz NWYAGWVDJMTOCG-KMDXXIMOSA-N 2 1 392.543 3.930 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255410269 1041002102 /nfs/dbraw/zinc/00/21/02/1041002102.db2.gz SSGDMRJVAWFUOU-FGZHOGPDSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255410269 1041002151 /nfs/dbraw/zinc/00/21/51/1041002151.db2.gz SSGDMRJVAWFUOU-FGZHOGPDSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255410269 1041002186 /nfs/dbraw/zinc/00/21/86/1041002186.db2.gz SSGDMRJVAWFUOU-FGZHOGPDSA-N 2 1 395.547 3.988 20 0 GHADMP C[NH+](C)[C@@H](Cc1ccccc1)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255429652 1041027770 /nfs/dbraw/zinc/02/77/70/1041027770.db2.gz YFGLABZCCGSFBS-RTWAWAEBSA-N 2 1 376.504 3.905 20 0 GHADMP C[NH+](C)[C@@H](Cc1ccccc1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255429652 1041027818 /nfs/dbraw/zinc/02/78/18/1041027818.db2.gz YFGLABZCCGSFBS-RTWAWAEBSA-N 2 1 376.504 3.905 20 0 GHADMP Fc1ccc(F)c(O[C@@H]2CC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235687741 1041158797 /nfs/dbraw/zinc/15/87/97/1041158797.db2.gz IIIUMOLDAPYQKV-GOSISDBHSA-N 2 1 383.442 3.676 20 0 GHADMP COc1cc(Br)cc(OC)c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235704842 1041184830 /nfs/dbraw/zinc/18/48/30/1041184830.db2.gz ADUIXTSCZSCZFC-UHFFFAOYSA-N 2 1 397.357 3.678 20 0 GHADMP Cc1cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc(C)c1I ZINC001235717904 1041200913 /nfs/dbraw/zinc/20/09/13/1041200913.db2.gz OZPZOMFLFRRLNF-UHFFFAOYSA-N 2 1 386.321 3.730 20 0 GHADMP C[N@H+](Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001235723385 1041208258 /nfs/dbraw/zinc/20/82/58/1041208258.db2.gz HKHBXDUWVPUSNU-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001255713566 1041239465 /nfs/dbraw/zinc/23/94/65/1041239465.db2.gz DZPBIQWNSBKQQI-IAGOWNOFSA-N 2 1 384.490 3.848 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)CSc3ccc(C)cc3)CC2)C1 ZINC001255770882 1041286262 /nfs/dbraw/zinc/28/62/62/1041286262.db2.gz PNVWUOSMIGFZDO-OALUTQOASA-N 2 1 390.593 3.825 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)CSc3ccc(C)cc3)CC2)C1 ZINC001255770882 1041286272 /nfs/dbraw/zinc/28/62/72/1041286272.db2.gz PNVWUOSMIGFZDO-OALUTQOASA-N 2 1 390.593 3.825 20 0 GHADMP C[C@H](CS(=O)(=O)c1ccccc1)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255810050 1041316242 /nfs/dbraw/zinc/31/62/42/1041316242.db2.gz PFRWNSTZOYOFTQ-MISYRCLQSA-N 2 1 378.582 3.611 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3F)CC[C@@H]21 ZINC001255844823 1041336505 /nfs/dbraw/zinc/33/65/05/1041336505.db2.gz LUHOBUAQZCQBJU-WQJYWUQFSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3F)CC[C@@H]21 ZINC001255844823 1041336514 /nfs/dbraw/zinc/33/65/14/1041336514.db2.gz LUHOBUAQZCQBJU-WQJYWUQFSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H](C)Cc3ccccc3F)CC[C@@H]21 ZINC001255844823 1041336526 /nfs/dbraw/zinc/33/65/26/1041336526.db2.gz LUHOBUAQZCQBJU-WQJYWUQFSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H](C)Cc3ccccc3F)CC[C@@H]21 ZINC001255844823 1041336540 /nfs/dbraw/zinc/33/65/40/1041336540.db2.gz LUHOBUAQZCQBJU-WQJYWUQFSA-N 2 1 384.543 3.827 20 0 GHADMP Cc1cccc(-c2ccc(C[NH+]3CCN(C4(C)CC[NH2+]CC4)CC3)cn2)c1C ZINC001235823400 1041342733 /nfs/dbraw/zinc/34/27/33/1041342733.db2.gz YXUPWVOSUPGUDJ-UHFFFAOYSA-N 2 1 378.564 3.625 20 0 GHADMP Clc1ccc2nc(N3CCC[N@H+](CC[C@H]4CCCC[NH2+]4)CC3)sc2c1 ZINC001235884693 1041411277 /nfs/dbraw/zinc/41/12/77/1041411277.db2.gz LOEXXGVZFCCWSI-MRXNPFEDSA-N 2 1 378.973 3.994 20 0 GHADMP Clc1ccc2nc(N3CCC[N@@H+](CC[C@H]4CCCC[NH2+]4)CC3)sc2c1 ZINC001235884693 1041411298 /nfs/dbraw/zinc/41/12/98/1041411298.db2.gz LOEXXGVZFCCWSI-MRXNPFEDSA-N 2 1 378.973 3.994 20 0 GHADMP F[C@@H]1C[NH2+]CC[C@H]1N(Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235937437 1041443581 /nfs/dbraw/zinc/44/35/81/1041443581.db2.gz RQXVLMQHERKEHA-WXFUMESZSA-N 2 1 381.539 3.711 20 0 GHADMP C[N@@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956165 1041463197 /nfs/dbraw/zinc/46/31/97/1041463197.db2.gz AIYQLWRVMZBMGS-LLVKDONJSA-N 2 1 381.236 3.779 20 0 GHADMP C[N@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235956165 1041463210 /nfs/dbraw/zinc/46/32/10/1041463210.db2.gz AIYQLWRVMZBMGS-LLVKDONJSA-N 2 1 381.236 3.779 20 0 GHADMP Clc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001235971974 1041474887 /nfs/dbraw/zinc/47/48/87/1041474887.db2.gz DEIFNOMJOHKXGI-OAQYLSRUSA-N 2 1 385.939 3.793 20 0 GHADMP Oc1ccc(Br)c(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235975236 1041479074 /nfs/dbraw/zinc/47/90/74/1041479074.db2.gz SAYCEGHCNKOOMM-UHFFFAOYSA-N 2 1 387.321 3.792 20 0 GHADMP Oc1ccc(Br)c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235975236 1041479108 /nfs/dbraw/zinc/47/91/08/1041479108.db2.gz SAYCEGHCNKOOMM-UHFFFAOYSA-N 2 1 387.321 3.792 20 0 GHADMP Clc1ccc(O[C@@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001235974391 1041479738 /nfs/dbraw/zinc/47/97/38/1041479738.db2.gz QNMMRHYSDISERS-JOCHJYFZSA-N 2 1 385.939 3.793 20 0 GHADMP Brc1ccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236006851 1041499004 /nfs/dbraw/zinc/49/90/04/1041499004.db2.gz SJQRXYYDKIKKKJ-CTNGQTDRSA-N 2 1 385.349 3.855 20 0 GHADMP Clc1ccc(-c2nccnc2C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236009056 1041500066 /nfs/dbraw/zinc/50/00/66/1041500066.db2.gz IGVGFRRNGQJKQO-XXBNENTESA-N 2 1 390.918 3.770 20 0 GHADMP Clc1ccc(-c2nccnc2C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236009056 1041500070 /nfs/dbraw/zinc/50/00/70/1041500070.db2.gz IGVGFRRNGQJKQO-XXBNENTESA-N 2 1 390.918 3.770 20 0 GHADMP FC(F)(F)c1cnc2[nH]cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2c1 ZINC001236009707 1041501996 /nfs/dbraw/zinc/50/19/96/1041501996.db2.gz MKZNGCBLKGAQSW-XLIONFOSSA-N 2 1 386.421 3.555 20 0 GHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001236060451 1041517067 /nfs/dbraw/zinc/51/70/67/1041517067.db2.gz RHRRYKNOFXZFDL-JOCHJYFZSA-N 2 1 375.520 3.706 20 0 GHADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)cc(C(C)(C)C)c1O ZINC001236078721 1041524775 /nfs/dbraw/zinc/52/47/75/1041524775.db2.gz JFFOHUKUCXNITE-IBGZPJMESA-N 2 1 387.612 3.842 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)ccc1Oc1ccc(F)cc1 ZINC001236082758 1041525653 /nfs/dbraw/zinc/52/56/53/1041525653.db2.gz NHTMQUQVLYAOTR-OAQYLSRUSA-N 2 1 383.511 3.781 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC001236080993 1041526348 /nfs/dbraw/zinc/52/63/48/1041526348.db2.gz JSMDMZMLJDWCCB-UHFFFAOYSA-N 2 1 383.483 3.771 20 0 GHADMP CC[N@@H+](Cc1cccs1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001236088336 1041528378 /nfs/dbraw/zinc/52/83/78/1041528378.db2.gz FAVZMCLQWQMRSZ-UHFFFAOYSA-N 2 1 394.382 3.942 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001236092304 1041531251 /nfs/dbraw/zinc/53/12/51/1041531251.db2.gz IZYWQUAINVRFFX-OAQYLSRUSA-N 2 1 379.548 3.560 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001236145916 1041569623 /nfs/dbraw/zinc/56/96/23/1041569623.db2.gz PRRHVYHQWASJIL-HXUWFJFHSA-N 2 1 399.604 3.889 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001236145916 1041569634 /nfs/dbraw/zinc/56/96/34/1041569634.db2.gz PRRHVYHQWASJIL-HXUWFJFHSA-N 2 1 399.604 3.889 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001236145916 1041569649 /nfs/dbraw/zinc/56/96/49/1041569649.db2.gz PRRHVYHQWASJIL-HXUWFJFHSA-N 2 1 399.604 3.889 20 0 GHADMP C[NH2+]C1CCC([N@H+](C)Cc2ccccc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001236213890 1041624123 /nfs/dbraw/zinc/62/41/23/1041624123.db2.gz XZDVQFYYJPGTJR-UHFFFAOYSA-N 2 1 386.561 3.790 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC001236213890 1041624130 /nfs/dbraw/zinc/62/41/30/1041624130.db2.gz XZDVQFYYJPGTJR-UHFFFAOYSA-N 2 1 386.561 3.790 20 0 GHADMP COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227264 1041632114 /nfs/dbraw/zinc/63/21/14/1041632114.db2.gz AZDBUVDSWQXXNS-UHFFFAOYSA-N 2 1 384.520 3.985 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C1(C)CC[NH2+]CC1 ZINC001236226704 1041632402 /nfs/dbraw/zinc/63/24/02/1041632402.db2.gz ROIKRCVXHJVFNP-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP C[NH+]1CCC([NH2+]CC2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256198213 1041643460 /nfs/dbraw/zinc/64/34/60/1041643460.db2.gz DZZCKFNEKGLPPE-UHFFFAOYSA-N 2 1 387.568 3.639 20 0 GHADMP FC(F)(F)c1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321879 1041669841 /nfs/dbraw/zinc/66/98/41/1041669841.db2.gz OJSWCDLCQLIZJN-BETUJISGSA-N 2 1 377.248 3.899 20 0 GHADMP COc1ncc(Br)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373857 1041686001 /nfs/dbraw/zinc/68/60/01/1041686001.db2.gz MESJSCLJPPJWCD-CQSZACIVSA-N 2 1 382.346 3.597 20 0 GHADMP COc1ncc(Br)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373857 1041686005 /nfs/dbraw/zinc/68/60/05/1041686005.db2.gz MESJSCLJPPJWCD-CQSZACIVSA-N 2 1 382.346 3.597 20 0 GHADMP C[NH+]1CCC(CC[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CC1 ZINC001236376758 1041688300 /nfs/dbraw/zinc/68/83/00/1041688300.db2.gz ABRXQNVRBRZKOT-UHFFFAOYSA-N 3 1 394.401 3.735 20 0 GHADMP Brc1cccc2nc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cn21 ZINC001236376620 1041688950 /nfs/dbraw/zinc/68/89/50/1041688950.db2.gz UKTAKUURJFRDLJ-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP Brc1cccc2nc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cn21 ZINC001236376620 1041688954 /nfs/dbraw/zinc/68/89/54/1041688954.db2.gz UKTAKUURJFRDLJ-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)CC2CCC3(CC2)OCCO3)cc1 ZINC001236381602 1041690799 /nfs/dbraw/zinc/69/07/99/1041690799.db2.gz KZPPSAYNCSIBBO-UHFFFAOYSA-N 2 1 376.516 3.561 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383212 1041691738 /nfs/dbraw/zinc/69/17/38/1041691738.db2.gz SXBJZWXOVWQVQC-UHFFFAOYSA-N 2 1 384.495 3.543 20 0 GHADMP Fc1ccc(CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388132 1041694350 /nfs/dbraw/zinc/69/43/50/1041694350.db2.gz IMXJKXXRYAUZPX-VWNXMTODSA-N 2 1 381.539 3.902 20 0 GHADMP Cn1ccc(-c2ccc(C[N@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)cc2)n1 ZINC001236407156 1041703935 /nfs/dbraw/zinc/70/39/35/1041703935.db2.gz CFVCGUHFYDXVET-UHFFFAOYSA-N 2 1 378.495 3.980 20 0 GHADMP Cn1ccc(-c2ccc(C[N@@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)cc2)n1 ZINC001236407156 1041703942 /nfs/dbraw/zinc/70/39/42/1041703942.db2.gz CFVCGUHFYDXVET-UHFFFAOYSA-N 2 1 378.495 3.980 20 0 GHADMP CCOC(=O)CCCCCC[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001236439430 1041711836 /nfs/dbraw/zinc/71/18/36/1041711836.db2.gz FSRHDCOIAXBTTA-UHFFFAOYSA-N 2 1 376.541 3.763 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]c3nc(Cl)ccc23)C2CC[NH2+]CC2)cc1 ZINC001236443115 1041715340 /nfs/dbraw/zinc/71/53/40/1041715340.db2.gz UAPBFONJVURIJE-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3nc(Cl)ccc23)C2CC[NH2+]CC2)cc1 ZINC001236443115 1041715345 /nfs/dbraw/zinc/71/53/45/1041715345.db2.gz UAPBFONJVURIJE-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP Cc1ccc(F)cc1C[N@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C1CC[NH2+]CC1 ZINC001236510203 1041746845 /nfs/dbraw/zinc/74/68/45/1041746845.db2.gz TXRJGQORTKYRFY-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C1CC[NH2+]CC1 ZINC001236510203 1041746849 /nfs/dbraw/zinc/74/68/49/1041746849.db2.gz TXRJGQORTKYRFY-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP CCOC(=O)CCCCCC[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001236514439 1041748188 /nfs/dbraw/zinc/74/81/88/1041748188.db2.gz AVRPMLDARGAJDH-UHFFFAOYSA-N 2 1 394.531 3.902 20 0 GHADMP COc1ccc(C[N@H+](CCc2c(F)cccc2F)C2CC[NH2+]CC2)cc1F ZINC001236515390 1041749007 /nfs/dbraw/zinc/74/90/07/1041749007.db2.gz HNDYVMWPJVAAAM-UHFFFAOYSA-N 2 1 378.438 3.909 20 0 GHADMP COc1ccc(C[N@@H+](CCc2c(F)cccc2F)C2CC[NH2+]CC2)cc1F ZINC001236515390 1041749014 /nfs/dbraw/zinc/74/90/14/1041749014.db2.gz HNDYVMWPJVAAAM-UHFFFAOYSA-N 2 1 378.438 3.909 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236536109 1041755993 /nfs/dbraw/zinc/75/59/93/1041755993.db2.gz ANVYULMKLUEYNE-MEMLXQNLSA-N 2 1 384.495 3.813 20 0 GHADMP COCCCOc1cc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1OC ZINC001236539442 1041756478 /nfs/dbraw/zinc/75/64/78/1041756478.db2.gz DSQXLUUZEUFHAD-MEMLXQNLSA-N 2 1 390.568 3.983 20 0 GHADMP C[NH+]1CCC(c2cccc(-c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c2)CC1 ZINC001236561945 1041763043 /nfs/dbraw/zinc/76/30/43/1041763043.db2.gz UDSVNBUXQAFMLQ-UHFFFAOYSA-N 2 1 377.532 3.550 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236710902 1041848365 /nfs/dbraw/zinc/84/83/65/1041848365.db2.gz YEXSHAOLJHXSNG-HZCBDIJESA-N 2 1 396.531 3.683 20 0 GHADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)c(Br)c1)CC2 ZINC001236719994 1041854595 /nfs/dbraw/zinc/85/45/95/1041854595.db2.gz NEEMDOPSJKKUBJ-UHFFFAOYSA-N 2 1 377.248 3.996 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(O)cc2OC(F)(F)F)CC1 ZINC001236723685 1041857366 /nfs/dbraw/zinc/85/73/66/1041857366.db2.gz KMEPRTJDCNXRMJ-UHFFFAOYSA-N 2 1 381.398 3.733 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CCN(Cc3cccc4ccoc43)CC2)C1 ZINC001236742445 1041868703 /nfs/dbraw/zinc/86/87/03/1041868703.db2.gz KXAOUNXEPWARRU-IBGZPJMESA-N 2 1 399.535 3.996 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1 ZINC001236762042 1041877943 /nfs/dbraw/zinc/87/79/43/1041877943.db2.gz LBNNZKFEIMXYTM-UHFFFAOYSA-N 2 1 396.531 3.826 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(Cc4ccc(Cl)nc4)c4ccccc34)C[C@@H]12 ZINC001236820928 1041916137 /nfs/dbraw/zinc/91/61/37/1041916137.db2.gz SHNDRCGQDOETTN-PWIZWCRZSA-N 2 1 380.923 3.907 20 0 GHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(-n3cccn3)c(Br)c2)CC1 ZINC001236913137 1041953946 /nfs/dbraw/zinc/95/39/46/1041953946.db2.gz VBWGHICZJVAYCM-UHFFFAOYSA-N 2 1 377.330 3.551 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cccn3)c(Br)c2)CC1 ZINC001236913137 1041953950 /nfs/dbraw/zinc/95/39/50/1041953950.db2.gz VBWGHICZJVAYCM-UHFFFAOYSA-N 2 1 377.330 3.551 20 0 GHADMP COc1ccc([C@H]2CC[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001236965646 1041972316 /nfs/dbraw/zinc/97/23/16/1041972316.db2.gz BLOLDYZRCXMHQB-FQEVSTJZSA-N 2 1 383.511 3.576 20 0 GHADMP COc1ccc([C@H]2CC[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001236965646 1041972318 /nfs/dbraw/zinc/97/23/18/1041972318.db2.gz BLOLDYZRCXMHQB-FQEVSTJZSA-N 2 1 383.511 3.576 20 0 GHADMP FC(F)(F)c1ccccc1[C@H]1CCCC[N@@H+]1Cc1cnc2n1CC[NH2+]CC2 ZINC001236976675 1041975031 /nfs/dbraw/zinc/97/50/31/1041975031.db2.gz SELAIDJPRBZZKO-GOSISDBHSA-N 2 1 378.442 3.775 20 0 GHADMP FC(F)(F)c1ccccc1[C@H]1CCCC[N@H+]1Cc1cnc2n1CC[NH2+]CC2 ZINC001236976675 1041975032 /nfs/dbraw/zinc/97/50/32/1041975032.db2.gz SELAIDJPRBZZKO-GOSISDBHSA-N 2 1 378.442 3.775 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237001785 1041986104 /nfs/dbraw/zinc/98/61/04/1041986104.db2.gz KHMDECUPXQWQMJ-UHFFFAOYSA-N 2 1 384.543 3.737 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001237180426 1042081086 /nfs/dbraw/zinc/08/10/86/1042081086.db2.gz PGQBLSOEGHYUGX-HXUWFJFHSA-N 2 1 387.321 3.748 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001237191054 1042086681 /nfs/dbraw/zinc/08/66/81/1042086681.db2.gz JNTPLVRDHRXXCA-IIBYNOLFSA-N 2 1 388.506 3.757 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC1 ZINC001237251844 1042107662 /nfs/dbraw/zinc/10/76/62/1042107662.db2.gz YJCXKZLAQABNQY-IRLDBZIGSA-N 2 1 396.966 3.875 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2sc(Cl)c3ccccc32)CCC12C[NH2+]C2 ZINC001237436035 1042206971 /nfs/dbraw/zinc/20/69/71/1042206971.db2.gz NIGVJCSWCMPZPY-HNNXBMFYSA-N 2 1 378.925 3.529 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccccc3)c1C)CC2 ZINC001237580084 1042271631 /nfs/dbraw/zinc/27/16/31/1042271631.db2.gz FBOFQDZLQFKVHS-UHFFFAOYSA-N 2 1 391.559 3.838 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cccc(-c3ccccc3)c1C)CC2 ZINC001237580084 1042271632 /nfs/dbraw/zinc/27/16/32/1042271632.db2.gz FBOFQDZLQFKVHS-UHFFFAOYSA-N 2 1 391.559 3.838 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c1OCC3)CC2 ZINC001237748252 1042352472 /nfs/dbraw/zinc/35/24/72/1042352472.db2.gz RPPOAKHEYKJTIM-QHCPKHFHSA-N 2 1 392.543 3.877 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cc21 ZINC001237877568 1042405688 /nfs/dbraw/zinc/40/56/88/1042405688.db2.gz NYMBRJYRQIDBGO-GOTSBHOMSA-N 2 1 388.559 3.647 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccsc1C)CC2 ZINC001237966804 1042439803 /nfs/dbraw/zinc/43/98/03/1042439803.db2.gz NOZVKGLNWJQXMS-NRFANRHFSA-N 2 1 392.609 3.786 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012623 1042459135 /nfs/dbraw/zinc/45/91/35/1042459135.db2.gz UZWLKVVRQUYGIM-HSZRJFAPSA-N 2 1 396.535 3.592 20 0 GHADMP Cc1cnc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001238428507 1042593177 /nfs/dbraw/zinc/59/31/77/1042593177.db2.gz HZKIMNQASIXNHR-JOCHJYFZSA-N 2 1 379.548 3.954 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001238640983 1042666827 /nfs/dbraw/zinc/66/68/27/1042666827.db2.gz RWZOLUQJIIABNN-MJGOQNOKSA-N 2 1 384.495 3.893 20 0 GHADMP CCOc1ccc(C)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001238716529 1042699142 /nfs/dbraw/zinc/69/91/42/1042699142.db2.gz IUPFLSMVIJUCAF-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001238716529 1042699146 /nfs/dbraw/zinc/69/91/46/1042699146.db2.gz IUPFLSMVIJUCAF-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528559 1043457563 /nfs/dbraw/zinc/45/75/63/1043457563.db2.gz HCRNQSWKMFCWTM-DFQSSKMNSA-N 2 1 375.557 3.932 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528559 1043457578 /nfs/dbraw/zinc/45/75/78/1043457578.db2.gz HCRNQSWKMFCWTM-DFQSSKMNSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530341 1043460896 /nfs/dbraw/zinc/46/08/96/1043460896.db2.gz BXPGSRXNUFWPIN-IFMALSPDSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256530341 1043460910 /nfs/dbraw/zinc/46/09/10/1043460910.db2.gz BXPGSRXNUFWPIN-IFMALSPDSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256531195 1043465235 /nfs/dbraw/zinc/46/52/35/1043465235.db2.gz QWMZHCGHGXSXQY-PXDATVDWSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256531195 1043465250 /nfs/dbraw/zinc/46/52/50/1043465250.db2.gz QWMZHCGHGXSXQY-PXDATVDWSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534758 1043472914 /nfs/dbraw/zinc/47/29/14/1043472914.db2.gz UVYBUGJZSKJVKX-AUSIDOKSSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256534758 1043472919 /nfs/dbraw/zinc/47/29/19/1043472919.db2.gz UVYBUGJZSKJVKX-AUSIDOKSSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCCN(c3ccc(F)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535748 1043475165 /nfs/dbraw/zinc/47/51/65/1043475165.db2.gz COBMSUXTJHPEIP-SIKLNZKXSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCCN(c3ccc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535748 1043475184 /nfs/dbraw/zinc/47/51/84/1043475184.db2.gz COBMSUXTJHPEIP-SIKLNZKXSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535748 1043475191 /nfs/dbraw/zinc/47/51/91/1043475191.db2.gz COBMSUXTJHPEIP-SIKLNZKXSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535748 1043475211 /nfs/dbraw/zinc/47/52/11/1043475211.db2.gz COBMSUXTJHPEIP-SIKLNZKXSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535467 1043475586 /nfs/dbraw/zinc/47/55/86/1043475586.db2.gz ZURASJZNSLVWKJ-WTIAFYNJSA-N 2 1 377.532 3.544 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256535467 1043475595 /nfs/dbraw/zinc/47/55/95/1043475595.db2.gz ZURASJZNSLVWKJ-WTIAFYNJSA-N 2 1 377.532 3.544 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535251 1043478078 /nfs/dbraw/zinc/47/80/78/1043478078.db2.gz YJNXKDQLNIHKCJ-RBBKRZOGSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256535251 1043478080 /nfs/dbraw/zinc/47/80/80/1043478080.db2.gz YJNXKDQLNIHKCJ-RBBKRZOGSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256536119 1043481359 /nfs/dbraw/zinc/48/13/59/1043481359.db2.gz FJHAYQPYGDJMOX-HYBUGGRVSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256536119 1043481370 /nfs/dbraw/zinc/48/13/70/1043481370.db2.gz FJHAYQPYGDJMOX-HYBUGGRVSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538519 1043487597 /nfs/dbraw/zinc/48/75/97/1043487597.db2.gz UAQXJQCOAHEIFI-QGQQZZQASA-N 2 1 383.580 3.857 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538519 1043487599 /nfs/dbraw/zinc/48/75/99/1043487599.db2.gz UAQXJQCOAHEIFI-QGQQZZQASA-N 2 1 383.580 3.857 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542301 1043494200 /nfs/dbraw/zinc/49/42/00/1043494200.db2.gz OCTLZNJFGOAUOK-BLCKVISQSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256542301 1043494204 /nfs/dbraw/zinc/49/42/04/1043494204.db2.gz OCTLZNJFGOAUOK-BLCKVISQSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542301 1043494207 /nfs/dbraw/zinc/49/42/07/1043494207.db2.gz OCTLZNJFGOAUOK-BLCKVISQSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542301 1043494209 /nfs/dbraw/zinc/49/42/09/1043494209.db2.gz OCTLZNJFGOAUOK-BLCKVISQSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256545054 1043501807 /nfs/dbraw/zinc/50/18/07/1043501807.db2.gz BIMFUMUIGNZJBP-UVFBAWLLSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256545054 1043501832 /nfs/dbraw/zinc/50/18/32/1043501832.db2.gz BIMFUMUIGNZJBP-UVFBAWLLSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256545054 1043501847 /nfs/dbraw/zinc/50/18/47/1043501847.db2.gz BIMFUMUIGNZJBP-UVFBAWLLSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256545054 1043501866 /nfs/dbraw/zinc/50/18/66/1043501866.db2.gz BIMFUMUIGNZJBP-UVFBAWLLSA-N 2 1 395.591 3.666 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)C1=O ZINC001256552380 1043515556 /nfs/dbraw/zinc/51/55/56/1043515556.db2.gz AWGDSVZZKPGRBX-IRLDBZIGSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)C1=O ZINC001256552380 1043515561 /nfs/dbraw/zinc/51/55/61/1043515561.db2.gz AWGDSVZZKPGRBX-IRLDBZIGSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256558959 1043532650 /nfs/dbraw/zinc/53/26/50/1043532650.db2.gz WSCPGRNTCCLOAX-OFNKIYASSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256558959 1043532653 /nfs/dbraw/zinc/53/26/53/1043532653.db2.gz WSCPGRNTCCLOAX-OFNKIYASSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@@H]1CN(C2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001256587809 1043555778 /nfs/dbraw/zinc/55/57/78/1043555778.db2.gz PUYLWEBRGVFNBZ-RTWAWAEBSA-N 2 1 378.564 3.641 20 0 GHADMP C[C@@H]1CN(C2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001256587809 1043555793 /nfs/dbraw/zinc/55/57/93/1043555793.db2.gz PUYLWEBRGVFNBZ-RTWAWAEBSA-N 2 1 378.564 3.641 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001256597225 1043561616 /nfs/dbraw/zinc/56/16/16/1043561616.db2.gz QTCZYZQRCASTDQ-DKUWSORSSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001256605995 1043568992 /nfs/dbraw/zinc/56/89/92/1043568992.db2.gz OFWKCMGELKIGJF-UNMCSNQZSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001256605995 1043568995 /nfs/dbraw/zinc/56/89/95/1043568995.db2.gz OFWKCMGELKIGJF-UNMCSNQZSA-N 2 1 399.579 3.982 20 0 GHADMP c1ccc(C[NH+]2CCC([NH+]3CCC4(CCCN4c4ncccn4)CC3)CC2)cc1 ZINC001256605384 1043569443 /nfs/dbraw/zinc/56/94/43/1043569443.db2.gz FKKNPPIIJHUHFJ-UHFFFAOYSA-N 2 1 391.563 3.576 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001256605993 1043569691 /nfs/dbraw/zinc/56/96/91/1043569691.db2.gz OFWKCMGELKIGJF-RBBKRZOGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001256605993 1043569696 /nfs/dbraw/zinc/56/96/96/1043569696.db2.gz OFWKCMGELKIGJF-RBBKRZOGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256606307 1043570819 /nfs/dbraw/zinc/57/08/19/1043570819.db2.gz TUZYQQWMISCFLS-UHFFFAOYSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC001256606418 1043570923 /nfs/dbraw/zinc/57/09/23/1043570923.db2.gz VHWIPQJMJUSIIM-FQEVSTJZSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256606418 1043570928 /nfs/dbraw/zinc/57/09/28/1043570928.db2.gz VHWIPQJMJUSIIM-FQEVSTJZSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256606418 1043570941 /nfs/dbraw/zinc/57/09/41/1043570941.db2.gz VHWIPQJMJUSIIM-FQEVSTJZSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001256609352 1043574656 /nfs/dbraw/zinc/57/46/56/1043574656.db2.gz NHACGLNPYCERRQ-LEWJYISDSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001256609352 1043574670 /nfs/dbraw/zinc/57/46/70/1043574670.db2.gz NHACGLNPYCERRQ-LEWJYISDSA-N 2 1 399.579 3.840 20 0 GHADMP C[C@@H](Cc1ccncc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001256742980 1043644858 /nfs/dbraw/zinc/64/48/58/1043644858.db2.gz QMHUMYUFPSIUFC-ICSRJNTNSA-N 2 1 385.577 3.830 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC001292260608 1043653554 /nfs/dbraw/zinc/65/35/54/1043653554.db2.gz DBHMFLMRZVPKIS-XZOQPEGZSA-N 2 1 379.548 3.769 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808110 1043664733 /nfs/dbraw/zinc/66/47/33/1043664733.db2.gz DSMDISNRPOJEQJ-JLLPCOHGSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808110 1043664743 /nfs/dbraw/zinc/66/47/43/1043664743.db2.gz DSMDISNRPOJEQJ-JLLPCOHGSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808110 1043664756 /nfs/dbraw/zinc/66/47/56/1043664756.db2.gz DSMDISNRPOJEQJ-JLLPCOHGSA-N 2 1 384.564 3.587 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCCC[N@H+]2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856857 1043704758 /nfs/dbraw/zinc/70/47/58/1043704758.db2.gz MIAYXEJQDLFHCA-UHFFFAOYSA-N 2 1 386.540 3.526 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c(C)[nH]c2ccc(Cl)cc21 ZINC001292581051 1043794441 /nfs/dbraw/zinc/79/44/41/1043794441.db2.gz AIEKIGDOZWCAIZ-KRWDZBQOSA-N 2 1 390.959 3.618 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001292583153 1043796402 /nfs/dbraw/zinc/79/64/02/1043796402.db2.gz ZNLKUKQINRQISI-FGTMMUONSA-N 2 1 391.522 3.620 20 0 GHADMP CCC(C)(C)C1CCC([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1 ZINC001257407717 1043989690 /nfs/dbraw/zinc/98/96/90/1043989690.db2.gz OLHFUWUORJGGQJ-UHFFFAOYSA-N 2 1 399.627 3.624 20 0 GHADMP CCC(C)(C)C1CCC([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1 ZINC001257407717 1043989702 /nfs/dbraw/zinc/98/97/02/1043989702.db2.gz OLHFUWUORJGGQJ-UHFFFAOYSA-N 2 1 399.627 3.624 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257646296 1044098187 /nfs/dbraw/zinc/09/81/87/1044098187.db2.gz IARZOAIBHLXRLE-CMKODMSKSA-N 2 1 375.557 3.871 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)[C@H](C)C1 ZINC001257756830 1044145359 /nfs/dbraw/zinc/14/53/59/1044145359.db2.gz QLNSQLNYYBKXKL-IEBWSBKVSA-N 2 1 379.589 3.875 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769867 1044159798 /nfs/dbraw/zinc/15/97/98/1044159798.db2.gz LPPMGPKGIPLRBM-DMONPFRGSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769867 1044159800 /nfs/dbraw/zinc/15/98/00/1044159800.db2.gz LPPMGPKGIPLRBM-DMONPFRGSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)C1 ZINC001257973518 1044295432 /nfs/dbraw/zinc/29/54/32/1044295432.db2.gz MJGBGPJDIHEEDX-QHAWAJNXSA-N 2 1 387.568 3.539 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC001462812629 1070563534 /nfs/dbraw/zinc/56/35/34/1070563534.db2.gz DSWVRDKQNVKMSN-OBXNSHGQSA-N 2 1 377.960 3.856 20 0 GHADMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCC(c2ccccc2)CC1 ZINC001257997504 1044324422 /nfs/dbraw/zinc/32/44/22/1044324422.db2.gz ZXIKHKNAOTVGJA-HRTMPFAESA-N 2 1 394.563 3.864 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258010450 1044336880 /nfs/dbraw/zinc/33/68/80/1044336880.db2.gz APNOCQPSYNGWEJ-QFIPXVFZSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCN(CCc2ccccc2)CC1 ZINC001258144778 1044431265 /nfs/dbraw/zinc/43/12/65/1044431265.db2.gz WKEADKVUSVAIJR-QHCPKHFHSA-N 2 1 399.623 3.705 20 0 GHADMP CC(C)(C)[N@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144778 1044431269 /nfs/dbraw/zinc/43/12/69/1044431269.db2.gz WKEADKVUSVAIJR-QHCPKHFHSA-N 3 1 399.623 3.705 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144778 1044431274 /nfs/dbraw/zinc/43/12/74/1044431274.db2.gz WKEADKVUSVAIJR-QHCPKHFHSA-N 3 1 399.623 3.705 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144322 1044431638 /nfs/dbraw/zinc/43/16/38/1044431638.db2.gz RQUWACBIAFYPSV-SZPZYZBQSA-N 2 1 399.579 3.777 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144322 1044431648 /nfs/dbraw/zinc/43/16/48/1044431648.db2.gz RQUWACBIAFYPSV-SZPZYZBQSA-N 2 1 399.579 3.777 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH+]3C[C@H]4CN(c5ccccc5)C[C@@H]4C3)CC2)cc1 ZINC001258148251 1044437658 /nfs/dbraw/zinc/43/76/58/1044437658.db2.gz DCSWQVHMACULKP-DHIUTWEWSA-N 2 1 375.560 3.762 20 0 GHADMP COC(=O)CC[C@H](C)[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258360761 1044523387 /nfs/dbraw/zinc/52/33/87/1044523387.db2.gz GOKYYMATAQPHTL-WBAXXEDZSA-N 2 1 397.357 3.863 20 0 GHADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258574286 1044650181 /nfs/dbraw/zinc/65/01/81/1044650181.db2.gz KNGXLQQLNPADNU-HXUWFJFHSA-N 2 1 395.522 3.657 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC001258872069 1044814748 /nfs/dbraw/zinc/81/47/48/1044814748.db2.gz MZFKGUXZMQHVNQ-KRWDZBQOSA-N 2 1 378.557 3.696 20 0 GHADMP CCn1ncc2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]2COc1cccnc1 ZINC001258910592 1044862727 /nfs/dbraw/zinc/86/27/27/1044862727.db2.gz RYZBFHJPGHWHSP-WOJBJXKFSA-N 2 1 399.583 3.787 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001258909524 1044864537 /nfs/dbraw/zinc/86/45/37/1044864537.db2.gz GILVOHMMGRRDIC-LJQANCHMSA-N 2 1 397.604 3.599 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)CCO1 ZINC000662321893 1045082248 /nfs/dbraw/zinc/08/22/48/1045082248.db2.gz FSOMMIXVHPUTHJ-SFTDATJTSA-N 2 1 380.960 3.850 20 0 GHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001296000635 1045217344 /nfs/dbraw/zinc/21/73/44/1045217344.db2.gz ZNUJQKZIOIMEDQ-OALUTQOASA-N 2 1 390.620 3.583 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001296046566 1045232791 /nfs/dbraw/zinc/23/27/91/1045232791.db2.gz UMZRXSOQPBHAEC-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)CC2 ZINC001261743342 1046072195 /nfs/dbraw/zinc/07/21/95/1046072195.db2.gz XHBDAQNJQWKJHV-QFIPXVFZSA-N 2 1 398.595 3.549 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)CC2 ZINC001261743342 1046072212 /nfs/dbraw/zinc/07/22/12/1046072212.db2.gz XHBDAQNJQWKJHV-QFIPXVFZSA-N 2 1 398.595 3.549 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)ccn1 ZINC001263648286 1047019862 /nfs/dbraw/zinc/01/98/62/1047019862.db2.gz NLIXSPWOAQNLPY-MRXNPFEDSA-N 2 1 384.528 3.506 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001264746311 1047425334 /nfs/dbraw/zinc/42/53/34/1047425334.db2.gz NMFLMTMVYRPLEE-JOCHJYFZSA-N 2 1 375.532 3.866 20 0 GHADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001304001646 1047558242 /nfs/dbraw/zinc/55/82/42/1047558242.db2.gz FBHVDDDCCIAAPR-NZQKXSOJSA-N 2 1 385.596 3.518 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001304001646 1047558249 /nfs/dbraw/zinc/55/82/49/1047558249.db2.gz FBHVDDDCCIAAPR-NZQKXSOJSA-N 2 1 385.596 3.518 20 0 GHADMP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cnc(Cl)s4)(C2)CCC3)n(C)n1 ZINC001279277455 1047754386 /nfs/dbraw/zinc/75/43/86/1047754386.db2.gz KCHGNPFNFIHJHM-ZWKOTPCHSA-N 2 1 379.961 3.563 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c(Cl)c1 ZINC001279322038 1047767904 /nfs/dbraw/zinc/76/79/04/1047767904.db2.gz LLZLRIABUPFPRF-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)c(Cl)c1 ZINC001279322038 1047767922 /nfs/dbraw/zinc/76/79/22/1047767922.db2.gz LLZLRIABUPFPRF-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)[nH]1 ZINC001279334081 1047771791 /nfs/dbraw/zinc/77/17/91/1047771791.db2.gz BAWRCMBHOQUKNX-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc(Cl)s4)C[C@H]3CC2)[nH]1 ZINC001279334081 1047771794 /nfs/dbraw/zinc/77/17/94/1047771794.db2.gz BAWRCMBHOQUKNX-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc(Cl)s4)C[C@H]3CC2)[nH]1 ZINC001279334081 1047771802 /nfs/dbraw/zinc/77/18/02/1047771802.db2.gz BAWRCMBHOQUKNX-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP Fc1c(Cl)cccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001279439208 1047807111 /nfs/dbraw/zinc/80/71/11/1047807111.db2.gz LJHIBQFEVJNNPR-UXHICEINSA-N 2 1 376.907 3.900 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001279580217 1047851172 /nfs/dbraw/zinc/85/11/72/1047851172.db2.gz TYDRWBXADPGJPD-ZMWHVPEISA-N 2 1 378.944 3.649 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001279580217 1047851183 /nfs/dbraw/zinc/85/11/83/1047851183.db2.gz TYDRWBXADPGJPD-ZMWHVPEISA-N 2 1 378.944 3.649 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](C[C@H]3CCOC(C)(C)C3)C[C@H]2CC1 ZINC001279598094 1047861526 /nfs/dbraw/zinc/86/15/26/1047861526.db2.gz XUPZNXVCEWFUJG-GBESFXJTSA-N 2 1 377.598 3.801 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](C[C@H]3CCOC(C)(C)C3)C[C@H]2CC1 ZINC001279598094 1047861540 /nfs/dbraw/zinc/86/15/40/1047861540.db2.gz XUPZNXVCEWFUJG-GBESFXJTSA-N 2 1 377.598 3.801 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](C[C@H]3CCOC(C)(C)C3)C[C@H]2CC1 ZINC001279598094 1047861556 /nfs/dbraw/zinc/86/15/56/1047861556.db2.gz XUPZNXVCEWFUJG-GBESFXJTSA-N 2 1 377.598 3.801 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](CCCc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279633195 1047879245 /nfs/dbraw/zinc/87/92/45/1047879245.db2.gz YUCFCHKYLHTGNZ-BGYRXZFFSA-N 2 1 380.960 3.537 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](CCCc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279633195 1047879253 /nfs/dbraw/zinc/87/92/53/1047879253.db2.gz YUCFCHKYLHTGNZ-BGYRXZFFSA-N 2 1 380.960 3.537 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](CCCc3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279633195 1047879261 /nfs/dbraw/zinc/87/92/61/1047879261.db2.gz YUCFCHKYLHTGNZ-BGYRXZFFSA-N 2 1 380.960 3.537 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3nc4cc(Br)ccc4o3)CC2)C1 ZINC001279747591 1047941151 /nfs/dbraw/zinc/94/11/51/1047941151.db2.gz MFDMTNSFYSSDNJ-UHFFFAOYSA-N 2 1 378.314 3.898 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3nc4ccc(Br)cc4o3)CC2)C1 ZINC001279747773 1047941327 /nfs/dbraw/zinc/94/13/27/1047941327.db2.gz ANJJJFSHRNBJKU-UHFFFAOYSA-N 2 1 378.314 3.898 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC001279782660 1047949268 /nfs/dbraw/zinc/94/92/68/1047949268.db2.gz KJKGVWDIRLOTRS-FPOVZHCZSA-N 2 1 377.598 3.541 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(C)c(Cl)c1C)CC2 ZINC001279835106 1047963617 /nfs/dbraw/zinc/96/36/17/1047963617.db2.gz VOEDUZHNRUQNPG-UHFFFAOYSA-N 2 1 380.960 3.865 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(C)c(Cl)c1C)CC2 ZINC001279835106 1047963621 /nfs/dbraw/zinc/96/36/21/1047963621.db2.gz VOEDUZHNRUQNPG-UHFFFAOYSA-N 2 1 380.960 3.865 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001305541479 1048115859 /nfs/dbraw/zinc/11/58/59/1048115859.db2.gz XRFQIZXVKTUZMY-WOJBJXKFSA-N 2 1 392.636 3.831 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1)c1ccccc1 ZINC001307453819 1049291227 /nfs/dbraw/zinc/29/12/27/1049291227.db2.gz ZAVVQAHDOXSBMI-FYYLOGMGSA-N 2 1 379.548 3.675 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001289743441 1049612363 /nfs/dbraw/zinc/61/23/63/1049612363.db2.gz BPXRVLVABJWGBI-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855315 1049637496 /nfs/dbraw/zinc/63/74/96/1049637496.db2.gz RLSZDIPEAQHGIH-FGZHOGPDSA-N 2 1 379.548 3.674 20 0 GHADMP CC[C@@H](NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC001307875944 1049657956 /nfs/dbraw/zinc/65/79/56/1049657956.db2.gz ZMUWWJHPJUESIP-HXUWFJFHSA-N 2 1 386.927 3.515 20 0 GHADMP CC[C@@H](NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC001307875944 1049657961 /nfs/dbraw/zinc/65/79/61/1049657961.db2.gz ZMUWWJHPJUESIP-HXUWFJFHSA-N 2 1 386.927 3.515 20 0 GHADMP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)on1 ZINC001307884478 1049666134 /nfs/dbraw/zinc/66/61/34/1049666134.db2.gz ATQXJUVOUNEQSG-LJQANCHMSA-N 2 1 396.535 3.688 20 0 GHADMP c1cn([C@@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)nn1 ZINC001307967250 1049728937 /nfs/dbraw/zinc/72/89/37/1049728937.db2.gz BUYKXUCNOOAYMT-HSZRJFAPSA-N 2 1 381.568 3.650 20 0 GHADMP CC1CC[NH+](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC001290153784 1049747584 /nfs/dbraw/zinc/74/75/84/1049747584.db2.gz NSXHJTDEWOOZFF-UHFFFAOYSA-N 2 1 391.559 3.652 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCSC[C@H]1c1ccccc1)c1ccccc1 ZINC001308041394 1049791827 /nfs/dbraw/zinc/79/18/27/1049791827.db2.gz SPDCPAMZEFKGMB-VXKWHMMOSA-N 2 1 397.588 3.586 20 0 GHADMP CC(C)[C@](O)(C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)c1ccccc1 ZINC001308107398 1049853301 /nfs/dbraw/zinc/85/33/01/1049853301.db2.gz PBASBRRJBBONLU-RUZDIDTESA-N 2 1 396.575 3.755 20 0 GHADMP CC(C)[C@](O)(C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)c1ccccc1 ZINC001308107398 1049853310 /nfs/dbraw/zinc/85/33/10/1049853310.db2.gz PBASBRRJBBONLU-RUZDIDTESA-N 2 1 396.575 3.755 20 0 GHADMP CC(C)[C@](O)(C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1)c1ccccc1 ZINC001308107398 1049853315 /nfs/dbraw/zinc/85/33/15/1049853315.db2.gz PBASBRRJBBONLU-RUZDIDTESA-N 2 1 396.575 3.755 20 0 GHADMP CC(C)[C@](O)(C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1)c1ccccc1 ZINC001308107398 1049853322 /nfs/dbraw/zinc/85/33/22/1049853322.db2.gz PBASBRRJBBONLU-RUZDIDTESA-N 2 1 396.575 3.755 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccc(Cl)s2)CC1 ZINC001308127021 1049872028 /nfs/dbraw/zinc/87/20/28/1049872028.db2.gz SCUHVAXWYUOTFZ-FQEVSTJZSA-N 2 1 398.016 3.788 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC001290617855 1049887434 /nfs/dbraw/zinc/88/74/34/1049887434.db2.gz YSSLZKGADWWGGG-NRFANRHFSA-N 2 1 385.939 3.682 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC001290617855 1049887440 /nfs/dbraw/zinc/88/74/40/1049887440.db2.gz YSSLZKGADWWGGG-NRFANRHFSA-N 2 1 385.939 3.682 20 0 GHADMP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001308230896 1049920972 /nfs/dbraw/zinc/92/09/72/1049920972.db2.gz RLFIPBVQCPVCPT-UHFFFAOYSA-N 2 1 396.535 3.991 20 0 GHADMP Cc1c(Br)cc(C[NH2+]CCC[NH+]2CCC2)cc1Br ZINC001308359203 1049958062 /nfs/dbraw/zinc/95/80/62/1049958062.db2.gz VUHSWFQDBDAYMU-UHFFFAOYSA-N 2 1 376.136 3.705 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001308565843 1050011946 /nfs/dbraw/zinc/01/19/46/1050011946.db2.gz UHCXPKWBBAGUMF-UKILVPOCSA-N 2 1 399.623 3.579 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629241 1050039789 /nfs/dbraw/zinc/03/97/89/1050039789.db2.gz OGZSFQBKJKJFHK-FQEVSTJZSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629241 1050039794 /nfs/dbraw/zinc/03/97/94/1050039794.db2.gz OGZSFQBKJKJFHK-FQEVSTJZSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629241 1050039799 /nfs/dbraw/zinc/03/97/99/1050039799.db2.gz OGZSFQBKJKJFHK-FQEVSTJZSA-N 2 1 387.568 3.745 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC001308686430 1050059774 /nfs/dbraw/zinc/05/97/74/1050059774.db2.gz ZYXZLVOVASKWKO-CQSZACIVSA-N 2 1 382.346 3.762 20 0 GHADMP CCc1cccc(NC(=O)CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC001308829975 1050112733 /nfs/dbraw/zinc/11/27/33/1050112733.db2.gz YZJCFVQDYCUBFM-PMVMPFDFSA-N 2 1 377.532 3.830 20 0 GHADMP CCc1cccc(NC(=O)C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC001308829975 1050112739 /nfs/dbraw/zinc/11/27/39/1050112739.db2.gz YZJCFVQDYCUBFM-PMVMPFDFSA-N 2 1 377.532 3.830 20 0 GHADMP CCc1cccc(NC(=O)C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC001308829975 1050112740 /nfs/dbraw/zinc/11/27/40/1050112740.db2.gz YZJCFVQDYCUBFM-PMVMPFDFSA-N 2 1 377.532 3.830 20 0 GHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001308860986 1050128139 /nfs/dbraw/zinc/12/81/39/1050128139.db2.gz TVRDEYONIXSHCI-JXFKEZNVSA-N 2 1 392.465 3.993 20 0 GHADMP COCC[N@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)CC1CC[NH+](C)CC1 ZINC001308894508 1050144685 /nfs/dbraw/zinc/14/46/85/1050144685.db2.gz GGFGEIXTTUFGMI-UHFFFAOYSA-N 2 1 387.499 3.803 20 0 GHADMP CN(C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001327885689 1050314402 /nfs/dbraw/zinc/31/44/02/1050314402.db2.gz FOEOLQDSVRVBIT-NHYNNZIHSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001327885689 1050314410 /nfs/dbraw/zinc/31/44/10/1050314410.db2.gz FOEOLQDSVRVBIT-NHYNNZIHSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001327885689 1050314423 /nfs/dbraw/zinc/31/44/23/1050314423.db2.gz FOEOLQDSVRVBIT-NHYNNZIHSA-N 2 1 391.559 3.991 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC001330704543 1051075702 /nfs/dbraw/zinc/07/57/02/1051075702.db2.gz RDANRBMEBMASRC-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC[NH+](CC)C1 ZINC001330704543 1051075714 /nfs/dbraw/zinc/07/57/14/1051075714.db2.gz RDANRBMEBMASRC-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH+](CC)C1 ZINC001330704543 1051075721 /nfs/dbraw/zinc/07/57/21/1051075721.db2.gz RDANRBMEBMASRC-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001331059492 1051180186 /nfs/dbraw/zinc/18/01/86/1051180186.db2.gz SSIYVUSCEJIKDH-HXUWFJFHSA-N 2 1 389.540 3.767 20 0 GHADMP Cc1cc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cn2cc[nH+]c12 ZINC001310806523 1051605864 /nfs/dbraw/zinc/60/58/64/1051605864.db2.gz KXBFRGDBWSDWNB-UHFFFAOYSA-N 2 1 387.553 3.516 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001310982517 1051751865 /nfs/dbraw/zinc/75/18/65/1051751865.db2.gz ZAFIDCBERPNSJK-UHFFFAOYSA-N 2 1 389.569 3.790 20 0 GHADMP CCN(C(=O)Nc1cc(C[NH+](C)C)ccn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311077884 1051833665 /nfs/dbraw/zinc/83/36/65/1051833665.db2.gz VZWDCNSDYUCGFY-GHTZIAJQSA-N 2 1 395.551 3.833 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc1OCc1cccnc1 ZINC001334355309 1051933488 /nfs/dbraw/zinc/93/34/88/1051933488.db2.gz BRVVRKKECPQPSA-FDFHNCONSA-N 2 1 395.547 3.831 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC001311436190 1052145658 /nfs/dbraw/zinc/14/56/58/1052145658.db2.gz KWIDUPFJMNEXPR-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001311580995 1052261353 /nfs/dbraw/zinc/26/13/53/1052261353.db2.gz BIMIJXXYQGSWRG-FQEVSTJZSA-N 2 1 394.991 3.752 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001312165262 1052609455 /nfs/dbraw/zinc/60/94/55/1052609455.db2.gz BNAYUUPYNBCCQX-QUCCMNQESA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)CC1 ZINC001312641903 1052821485 /nfs/dbraw/zinc/82/14/85/1052821485.db2.gz PYOVVSMGRAJHBB-XVAXZDLZSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001312642260 1052821818 /nfs/dbraw/zinc/82/18/18/1052821818.db2.gz YARMZIJLHTYYHG-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001312642260 1052821822 /nfs/dbraw/zinc/82/18/22/1052821822.db2.gz YARMZIJLHTYYHG-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001312642260 1052821826 /nfs/dbraw/zinc/82/18/26/1052821826.db2.gz YARMZIJLHTYYHG-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1C ZINC001312767601 1052863413 /nfs/dbraw/zinc/86/34/13/1052863413.db2.gz INLKTYHHPUAJGI-JJOUBASASA-N 2 1 398.595 3.696 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001312813594 1052878682 /nfs/dbraw/zinc/87/86/82/1052878682.db2.gz IIHSXCVSMPXILT-RBBKRZOGSA-N 2 1 388.600 3.708 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001312813594 1052878687 /nfs/dbraw/zinc/87/86/87/1052878687.db2.gz IIHSXCVSMPXILT-RBBKRZOGSA-N 2 1 388.600 3.708 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001312813594 1052878694 /nfs/dbraw/zinc/87/86/94/1052878694.db2.gz IIHSXCVSMPXILT-RBBKRZOGSA-N 2 1 388.600 3.708 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001313186815 1052980774 /nfs/dbraw/zinc/98/07/74/1052980774.db2.gz PNYBZAKRXRFJNX-JOCHJYFZSA-N 2 1 398.595 3.619 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001342737075 1053328445 /nfs/dbraw/zinc/32/84/45/1053328445.db2.gz DPEVPRBVINCBOT-VJBWXMMDSA-N 2 1 383.580 3.524 20 0 GHADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3cnc(CC4CC[NH2+]CC4)s3)c2C1 ZINC001343408869 1053755500 /nfs/dbraw/zinc/75/55/00/1053755500.db2.gz GUEDDEUVTCEKMA-UHFFFAOYSA-N 2 1 384.549 3.663 20 0 GHADMP CCC[N@H+]1Cc2cccc(NC(=O)c3cnc(CC4CC[NH2+]CC4)s3)c2C1 ZINC001343408869 1053755510 /nfs/dbraw/zinc/75/55/10/1053755510.db2.gz GUEDDEUVTCEKMA-UHFFFAOYSA-N 2 1 384.549 3.663 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001343410049 1053755619 /nfs/dbraw/zinc/75/56/19/1053755619.db2.gz UIKHFSQWDHATPM-LJQANCHMSA-N 2 1 399.560 3.663 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001318395426 1054609518 /nfs/dbraw/zinc/60/95/18/1054609518.db2.gz FGVBCSJFYXKWKA-COPCDDAFSA-N 2 1 386.584 3.591 20 0 GHADMP O=C(c1cc2c(ccc3ccccc23)o1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001344677778 1054660410 /nfs/dbraw/zinc/66/04/10/1054660410.db2.gz AEOGCUGGTAWKLT-KDURUIRLSA-N 2 1 389.499 3.627 20 0 GHADMP O=C(c1cc2c(ccc3ccccc23)o1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001344677778 1054660424 /nfs/dbraw/zinc/66/04/24/1054660424.db2.gz AEOGCUGGTAWKLT-KDURUIRLSA-N 2 1 389.499 3.627 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)c1 ZINC001318850650 1054916003 /nfs/dbraw/zinc/91/60/03/1054916003.db2.gz LHXGKBFKRBWBMN-UHFFFAOYSA-N 2 1 391.519 3.863 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)c1 ZINC001318850650 1054916004 /nfs/dbraw/zinc/91/60/04/1054916004.db2.gz LHXGKBFKRBWBMN-UHFFFAOYSA-N 2 1 391.519 3.863 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001319288599 1055158428 /nfs/dbraw/zinc/15/84/28/1055158428.db2.gz CVYXWZAEDTUSCZ-NFBKMPQASA-N 3 1 384.612 3.571 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(OC(F)F)cc1 ZINC001322643098 1056781290 /nfs/dbraw/zinc/78/12/90/1056781290.db2.gz LKFHJKCPHZQYGK-KRWDZBQOSA-N 2 1 389.490 3.886 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001322756741 1056836095 /nfs/dbraw/zinc/83/60/95/1056836095.db2.gz XHQVNZJIYTXOHE-VXKWHMMOSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001322756741 1056836115 /nfs/dbraw/zinc/83/61/15/1056836115.db2.gz XHQVNZJIYTXOHE-VXKWHMMOSA-N 2 1 381.495 3.597 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(Br)c1OC ZINC001200812051 1056977285 /nfs/dbraw/zinc/97/72/85/1056977285.db2.gz IVGRJLUMPGBACO-CABCVRRESA-N 2 1 385.346 3.819 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(Br)c1OC ZINC001200812057 1056977483 /nfs/dbraw/zinc/97/74/83/1056977483.db2.gz IVGRJLUMPGBACO-HUUCEWRRSA-N 2 1 385.346 3.819 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC001324398953 1057125443 /nfs/dbraw/zinc/12/54/43/1057125443.db2.gz DZTHXOJRCCLVOF-HCGNOCCLSA-N 2 1 391.559 3.523 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc12 ZINC001324785947 1057226210 /nfs/dbraw/zinc/22/62/10/1057226210.db2.gz RMFHHDAVYNWJSX-FRIKZZABSA-N 2 1 389.547 3.952 20 0 GHADMP O[C@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000848911796 1057415847 /nfs/dbraw/zinc/41/58/47/1057415847.db2.gz IGONAZLSKDCXGS-VQIMIIECSA-N 2 1 387.351 3.650 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC001338806015 1058797077 /nfs/dbraw/zinc/79/70/77/1058797077.db2.gz GAHPSXNSDPYQKA-HSZRJFAPSA-N 2 1 383.580 3.826 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001443493902 1059138766 /nfs/dbraw/zinc/13/87/66/1059138766.db2.gz LKRIXOXNVKWHDL-FQEVSTJZSA-N 2 1 379.976 3.913 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001443493902 1059138770 /nfs/dbraw/zinc/13/87/70/1059138770.db2.gz LKRIXOXNVKWHDL-FQEVSTJZSA-N 2 1 379.976 3.913 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnc(C4CC[NH2+]CC4)o3)cc2)C1 ZINC001340032205 1059636060 /nfs/dbraw/zinc/63/60/60/1059636060.db2.gz BQVAEDQQSQQYCO-MRXNPFEDSA-N 2 1 382.508 3.626 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001446719901 1059839877 /nfs/dbraw/zinc/83/98/77/1059839877.db2.gz ZJJUURXUDSLKBS-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001446719901 1059839910 /nfs/dbraw/zinc/83/99/10/1059839910.db2.gz ZJJUURXUDSLKBS-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001446719901 1059839940 /nfs/dbraw/zinc/83/99/40/1059839940.db2.gz ZJJUURXUDSLKBS-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ncoc2C2CC[NH2+]CC2)cc1 ZINC001340802267 1060139086 /nfs/dbraw/zinc/13/90/86/1060139086.db2.gz FTJCLTXQQBOLFB-INIZCTEOSA-N 2 1 382.508 3.768 20 0 GHADMP O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1cc2c(s1)C[NH2+]CC2 ZINC001341628061 1060782488 /nfs/dbraw/zinc/78/24/88/1060782488.db2.gz WEZQVAQRVHXOPE-UHFFFAOYSA-N 2 1 395.532 3.508 20 0 GHADMP O=C(Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1cc2c(s1)C[NH2+]CC2 ZINC001341628061 1060782498 /nfs/dbraw/zinc/78/24/98/1060782498.db2.gz WEZQVAQRVHXOPE-UHFFFAOYSA-N 2 1 395.532 3.508 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(N4CCC(C[NH+](C)C)CC4)cc3)C[N@H+]2C1 ZINC001346034684 1061308062 /nfs/dbraw/zinc/30/80/62/1061308062.db2.gz SSFHWFVUGKHRJX-KKLQWCBXSA-N 2 1 398.595 3.524 20 0 GHADMP CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)(c2ccccc2)CC1 ZINC001454875214 1061948280 /nfs/dbraw/zinc/94/82/80/1061948280.db2.gz JQRAKGZRYFAVBH-HSZRJFAPSA-N 2 1 397.607 3.953 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC001347157640 1062171211 /nfs/dbraw/zinc/17/12/11/1062171211.db2.gz PDMRUYZRHBAJBU-GOTSBHOMSA-N 2 1 393.531 3.649 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001459447113 1064101013 /nfs/dbraw/zinc/10/10/13/1064101013.db2.gz LLCMCDRPGZLJCA-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001459447113 1064101018 /nfs/dbraw/zinc/10/10/18/1064101018.db2.gz LLCMCDRPGZLJCA-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001459789414 1064218374 /nfs/dbraw/zinc/21/83/74/1064218374.db2.gz ZTZJZHMCDAAMSZ-WNYOCNMUSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001459789414 1064218378 /nfs/dbraw/zinc/21/83/78/1064218378.db2.gz ZTZJZHMCDAAMSZ-WNYOCNMUSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001459789414 1064218381 /nfs/dbraw/zinc/21/83/81/1064218381.db2.gz ZTZJZHMCDAAMSZ-WNYOCNMUSA-N 2 1 399.362 3.682 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001464842355 1065239585 /nfs/dbraw/zinc/23/95/85/1065239585.db2.gz BKNPOOGGANYFQT-XMMPIXPASA-N 2 1 399.623 3.960 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC001465558189 1065713705 /nfs/dbraw/zinc/71/37/05/1065713705.db2.gz XHTKIHJGUQGUHP-UEVCKROQSA-N 2 1 397.538 3.626 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC001465558189 1065713716 /nfs/dbraw/zinc/71/37/16/1065713716.db2.gz XHTKIHJGUQGUHP-UEVCKROQSA-N 2 1 397.538 3.626 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001466083154 1065976389 /nfs/dbraw/zinc/97/63/89/1065976389.db2.gz VEMCKHHFZVEPJY-VQTJNVASSA-N 2 1 379.548 3.526 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001357398473 1067082879 /nfs/dbraw/zinc/08/28/79/1067082879.db2.gz YMIQUMCSYAOFIX-RCZSKKKRSA-N 2 1 395.547 3.645 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CC[NH+](Cc4ccccc4)CC3(C)C)C[N@H+]2C1 ZINC001467407965 1067280907 /nfs/dbraw/zinc/28/09/07/1067280907.db2.gz GSYZMYLSTDDSJM-GBAJDQEWSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[NH+]2C1 ZINC001467407965 1067280921 /nfs/dbraw/zinc/28/09/21/1067280921.db2.gz GSYZMYLSTDDSJM-GBAJDQEWSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[NH+]2C1 ZINC001467407965 1067280932 /nfs/dbraw/zinc/28/09/32/1067280932.db2.gz GSYZMYLSTDDSJM-GBAJDQEWSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001467859512 1067502287 /nfs/dbraw/zinc/50/22/87/1067502287.db2.gz DYAGKXBQGVMJFL-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)[NH+](C)C)cc1 ZINC001468351150 1067699020 /nfs/dbraw/zinc/69/90/20/1067699020.db2.gz MTYHPSOOWGDYFT-VXKWHMMOSA-N 2 1 386.584 3.694 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCC)CC[NH+]1CCCCCC1 ZINC001477797545 1078571009 /nfs/dbraw/zinc/57/10/09/1078571009.db2.gz RKVYSDFYZFPQQE-OAQYLSRUSA-N 2 1 380.621 3.939 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC001477797706 1078571077 /nfs/dbraw/zinc/57/10/77/1078571077.db2.gz WWAWPIYYMNCXQY-KCZVDYSFSA-N 2 1 388.600 3.940 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000849102225 1067729178 /nfs/dbraw/zinc/72/91/78/1067729178.db2.gz IJDLNAISNXAOKX-QGZVFWFLSA-N 2 1 384.524 3.941 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000849102225 1067729182 /nfs/dbraw/zinc/72/91/82/1067729182.db2.gz IJDLNAISNXAOKX-QGZVFWFLSA-N 2 1 384.524 3.941 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001468606141 1067788386 /nfs/dbraw/zinc/78/83/86/1067788386.db2.gz NMIJNADYNBTJMM-FQEVSTJZSA-N 2 1 394.991 3.726 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001468606141 1067788395 /nfs/dbraw/zinc/78/83/95/1067788395.db2.gz NMIJNADYNBTJMM-FQEVSTJZSA-N 2 1 394.991 3.726 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001468606141 1067788402 /nfs/dbraw/zinc/78/84/02/1067788402.db2.gz NMIJNADYNBTJMM-FQEVSTJZSA-N 2 1 394.991 3.726 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC001477852098 1078594763 /nfs/dbraw/zinc/59/47/63/1078594763.db2.gz IAPBZTDEJAGEDD-IFMALSPDSA-N 2 1 388.600 3.750 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001468831015 1067903571 /nfs/dbraw/zinc/90/35/71/1067903571.db2.gz LLGZQPQNBIRVAO-WOJBJXKFSA-N 2 1 386.584 3.681 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC001468842956 1067906997 /nfs/dbraw/zinc/90/69/97/1067906997.db2.gz WCEFCTRYPNXIGO-WZONZLPQSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC001468842956 1067907000 /nfs/dbraw/zinc/90/70/00/1067907000.db2.gz WCEFCTRYPNXIGO-WZONZLPQSA-N 2 1 392.547 3.698 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001477927050 1078631734 /nfs/dbraw/zinc/63/17/34/1078631734.db2.gz KJUPDIVNFPAKOO-VXKWHMMOSA-N 2 1 386.584 3.777 20 0 GHADMP OC[C@@]1(c2ccccc2)CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001460152038 1068814862 /nfs/dbraw/zinc/81/48/62/1068814862.db2.gz OPNICYILFJSMGE-AREMUKBSSA-N 2 1 392.587 3.967 20 0 GHADMP OC[C@@]1(c2ccccc2)CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001460152038 1068814880 /nfs/dbraw/zinc/81/48/80/1068814880.db2.gz OPNICYILFJSMGE-AREMUKBSSA-N 2 1 392.587 3.967 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460406660 1068954908 /nfs/dbraw/zinc/95/49/08/1068954908.db2.gz HTQVBBAURQBTOG-WOJBJXKFSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514793 1068983806 /nfs/dbraw/zinc/98/38/06/1068983806.db2.gz PMWGSMWRSKULHY-FCHUYYIVSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514793 1068983807 /nfs/dbraw/zinc/98/38/07/1068983807.db2.gz PMWGSMWRSKULHY-FCHUYYIVSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514793 1068983811 /nfs/dbraw/zinc/98/38/11/1068983811.db2.gz PMWGSMWRSKULHY-FCHUYYIVSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514800 1068983934 /nfs/dbraw/zinc/98/39/34/1068983934.db2.gz PMWGSMWRSKULHY-YADHBBJMSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514800 1068983935 /nfs/dbraw/zinc/98/39/35/1068983935.db2.gz PMWGSMWRSKULHY-YADHBBJMSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514800 1068983942 /nfs/dbraw/zinc/98/39/42/1068983942.db2.gz PMWGSMWRSKULHY-YADHBBJMSA-N 2 1 387.568 3.724 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001460607251 1069025075 /nfs/dbraw/zinc/02/50/75/1069025075.db2.gz QFPRFLBBEYLZQK-BNOWGMLFSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001460607251 1069025087 /nfs/dbraw/zinc/02/50/87/1069025087.db2.gz QFPRFLBBEYLZQK-BNOWGMLFSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001460607251 1069025099 /nfs/dbraw/zinc/02/50/99/1069025099.db2.gz QFPRFLBBEYLZQK-BNOWGMLFSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001460607251 1069025114 /nfs/dbraw/zinc/02/51/14/1069025114.db2.gz QFPRFLBBEYLZQK-BNOWGMLFSA-N 2 1 381.307 3.988 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001478378327 1078840328 /nfs/dbraw/zinc/84/03/28/1078840328.db2.gz SSVVHSWGJWJTJZ-FQEVSTJZSA-N 2 1 386.584 3.715 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001478378327 1078840337 /nfs/dbraw/zinc/84/03/37/1078840337.db2.gz SSVVHSWGJWJTJZ-FQEVSTJZSA-N 2 1 386.584 3.715 20 0 GHADMP CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC001478734334 1078970106 /nfs/dbraw/zinc/97/01/06/1078970106.db2.gz AWJDZKGNAAGZDD-VXKWHMMOSA-N 2 1 388.600 3.758 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC001471735540 1073201685 /nfs/dbraw/zinc/20/16/85/1073201685.db2.gz PBTYXWRIKMCKMT-IBGZPJMESA-N 2 1 377.960 3.810 20 0 GHADMP CN(C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001479002041 1079059339 /nfs/dbraw/zinc/05/93/39/1079059339.db2.gz XGJVOFVYGAFVBO-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001479002041 1079059346 /nfs/dbraw/zinc/05/93/46/1079059346.db2.gz XGJVOFVYGAFVBO-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001479002041 1079059352 /nfs/dbraw/zinc/05/93/52/1079059352.db2.gz XGJVOFVYGAFVBO-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001479002042 1079059610 /nfs/dbraw/zinc/05/96/10/1079059610.db2.gz XGJVOFVYGAFVBO-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001479002042 1079059615 /nfs/dbraw/zinc/05/96/15/1079059615.db2.gz XGJVOFVYGAFVBO-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001479002042 1079059620 /nfs/dbraw/zinc/05/96/20/1079059620.db2.gz XGJVOFVYGAFVBO-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192421 1073844888 /nfs/dbraw/zinc/84/48/88/1073844888.db2.gz MMFZBBIPPQHJOD-IRXDYDNUSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192421 1073844893 /nfs/dbraw/zinc/84/48/93/1073844893.db2.gz MMFZBBIPPQHJOD-IRXDYDNUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192421 1073844898 /nfs/dbraw/zinc/84/48/98/1073844898.db2.gz MMFZBBIPPQHJOD-IRXDYDNUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192421 1073844901 /nfs/dbraw/zinc/84/49/01/1073844901.db2.gz MMFZBBIPPQHJOD-IRXDYDNUSA-N 2 1 375.340 3.539 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc3ccc(C)s3)C1)O2 ZINC001473455919 1073972711 /nfs/dbraw/zinc/97/27/11/1073972711.db2.gz RMEOREGXODAGOQ-YLJYHZDGSA-N 2 1 386.561 3.823 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc3ccc(C)s3)C1)O2 ZINC001473455919 1073972713 /nfs/dbraw/zinc/97/27/13/1073972713.db2.gz RMEOREGXODAGOQ-YLJYHZDGSA-N 2 1 386.561 3.823 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F)c1ccccc1 ZINC001473581673 1074029809 /nfs/dbraw/zinc/02/98/09/1074029809.db2.gz QNTVMGJHWWRIOC-ISKFKSNPSA-N 2 1 397.538 3.642 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C4CCCCC4)C3)CC2)cc1 ZINC001473622481 1074053253 /nfs/dbraw/zinc/05/32/53/1074053253.db2.gz ZOLKTVAGYVRYHN-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C4CCCCC4)C3)CC2)cc1 ZINC001473622481 1074053260 /nfs/dbraw/zinc/05/32/60/1074053260.db2.gz ZOLKTVAGYVRYHN-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](C4CCCCC4)C3)CC2)cc1 ZINC001473622481 1074053266 /nfs/dbraw/zinc/05/32/66/1074053266.db2.gz ZOLKTVAGYVRYHN-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP COC(=O)c1cnc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)s1 ZINC001473844779 1074171319 /nfs/dbraw/zinc/17/13/19/1074171319.db2.gz AUOJHDIASZVFSD-IBGZPJMESA-N 2 1 399.560 3.905 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001473912968 1074200873 /nfs/dbraw/zinc/20/08/73/1074200873.db2.gz BZEHJVNAGGOVCV-UHFFFAOYSA-N 2 1 391.559 3.854 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccc(F)c(F)c3)cc2)CC1 ZINC001473936443 1074211128 /nfs/dbraw/zinc/21/11/28/1074211128.db2.gz UXHVYVPTBYZRHF-ONEGZZNKSA-N 2 1 385.502 3.905 20 0 GHADMP C[C@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)C[NH+]1CCCC1 ZINC001473940131 1074212347 /nfs/dbraw/zinc/21/23/47/1074212347.db2.gz PVDRCRLNSOSZJC-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001473963582 1074220071 /nfs/dbraw/zinc/22/00/71/1074220071.db2.gz GSFQBVYEGGGIFS-UHFFFAOYSA-N 2 1 398.938 3.815 20 0 GHADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC001474019884 1074238672 /nfs/dbraw/zinc/23/86/72/1074238672.db2.gz IMQQSDCNYDZWSW-UPVQGACJSA-N 2 1 382.548 3.694 20 0 GHADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC001474019884 1074238677 /nfs/dbraw/zinc/23/86/77/1074238677.db2.gz IMQQSDCNYDZWSW-UPVQGACJSA-N 2 1 382.548 3.694 20 0 GHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001474067595 1074252652 /nfs/dbraw/zinc/25/26/52/1074252652.db2.gz AOKIKGMLUNKUTG-IRXDYDNUSA-N 2 1 376.850 3.826 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC001474084299 1074258224 /nfs/dbraw/zinc/25/82/24/1074258224.db2.gz GVUOVVBFTXVWBA-HXUWFJFHSA-N 2 1 379.479 3.620 20 0 GHADMP C[C@@H](CC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[NH+]1CCCCC1 ZINC001474109129 1074266173 /nfs/dbraw/zinc/26/61/73/1074266173.db2.gz OZCCXHMMYQTIFB-INIZCTEOSA-N 2 1 391.357 3.989 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317477 1074338971 /nfs/dbraw/zinc/33/89/71/1074338971.db2.gz GWHQRQFRTYHXDK-YLJYHZDGSA-N 2 1 375.557 3.873 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317477 1074338981 /nfs/dbraw/zinc/33/89/81/1074338981.db2.gz GWHQRQFRTYHXDK-YLJYHZDGSA-N 2 1 375.557 3.873 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317477 1074338991 /nfs/dbraw/zinc/33/89/91/1074338991.db2.gz GWHQRQFRTYHXDK-YLJYHZDGSA-N 2 1 375.557 3.873 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c2c1OC(F)(F)O2 ZINC001474672332 1074508345 /nfs/dbraw/zinc/50/83/45/1074508345.db2.gz CPCUOAHGRPAEBG-SFHVURJKSA-N 2 1 396.478 3.993 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(F)cc1Br ZINC001474748361 1074544409 /nfs/dbraw/zinc/54/44/09/1074544409.db2.gz MTFVMVMWKNZSTD-KCQAQPDRSA-N 2 1 385.321 3.759 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001496157955 1079458876 /nfs/dbraw/zinc/45/88/76/1079458876.db2.gz DYECSYDIJULLEP-GOSISDBHSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001496157955 1079458881 /nfs/dbraw/zinc/45/88/81/1079458881.db2.gz DYECSYDIJULLEP-GOSISDBHSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001496157955 1079458885 /nfs/dbraw/zinc/45/88/85/1079458885.db2.gz DYECSYDIJULLEP-GOSISDBHSA-N 2 1 390.620 3.587 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000824617039 609138408 /nfs/dbraw/zinc/13/84/08/609138408.db2.gz BZGNBVCMSTWACA-HNNXBMFYSA-N 2 1 382.487 3.697 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CCCCC45CC[NH2+]CC5)ccc3C2)cc1 ZINC001164420198 718910250 /nfs/dbraw/zinc/91/02/50/718910250.db2.gz HGYLBDLQWULGJR-UHFFFAOYSA-N 2 1 376.548 3.752 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC3CC[NH+](C)CC3)c2c1C ZINC000301216878 721936980 /nfs/dbraw/zinc/93/69/80/721936980.db2.gz ZAJAVSKGNFIFDP-UHFFFAOYSA-N 2 1 387.597 3.682 20 0 GHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)CC[N@H+]3CCc4ccccc4C3)cc21 ZINC000471386352 837469545 /nfs/dbraw/zinc/46/95/45/837469545.db2.gz YQTXBYNRJNZPMI-UHFFFAOYSA-N 2 1 390.531 3.590 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000471406520 837604451 /nfs/dbraw/zinc/60/44/51/837604451.db2.gz UIOAZJKVTWJWQM-OAQYLSRUSA-N 2 1 385.577 3.696 20 0 GHADMP c1[nH+]c2cc(NCC3(c4ccccc4)COC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001167292651 837666625 /nfs/dbraw/zinc/66/66/25/837666625.db2.gz ZAEVAYUKUIVMKP-HXUWFJFHSA-N 2 1 376.504 3.731 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696704 837688173 /nfs/dbraw/zinc/68/81/73/837688173.db2.gz JLYKBVLOHBAEGW-DVECYGJZSA-N 2 1 395.547 3.955 20 0 GHADMP Clc1cccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCOCC2)c1 ZINC000655698735 837689867 /nfs/dbraw/zinc/68/98/67/837689867.db2.gz VXAKFLABWKKUOL-NRFANRHFSA-N 2 1 392.971 3.621 20 0 GHADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000625327512 837740592 /nfs/dbraw/zinc/74/05/92/837740592.db2.gz YNTCCJCCDHOMCD-YRWFTTLQSA-N 2 1 399.501 3.534 20 0 GHADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000625327512 837740603 /nfs/dbraw/zinc/74/06/03/837740603.db2.gz YNTCCJCCDHOMCD-YRWFTTLQSA-N 2 1 399.501 3.534 20 0 GHADMP Clc1ccc(C[C@@H](NC2CC[NH+]([C@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655736182 837776794 /nfs/dbraw/zinc/77/67/94/837776794.db2.gz NPFFTHQLCATHIO-RBBKRZOGSA-N 2 1 385.939 3.862 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705548 834524462 /nfs/dbraw/zinc/52/44/62/834524462.db2.gz LCSILVHJHRYOMM-SCTDSRPQSA-N 2 1 396.959 3.856 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OCCC(C)C ZINC000650706049 834530900 /nfs/dbraw/zinc/53/09/00/834530900.db2.gz CMXYJZLGNMHZFK-TUNNFDKTSA-N 2 1 390.568 3.838 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3Br)C2)C1 ZINC000650706364 834536570 /nfs/dbraw/zinc/53/65/70/834536570.db2.gz JLJFSCALJREMST-MJEQTWJJSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000583516652 834554309 /nfs/dbraw/zinc/55/43/09/834554309.db2.gz HSNHQYXVTCVACI-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000583516652 834554314 /nfs/dbraw/zinc/55/43/14/834554314.db2.gz HSNHQYXVTCVACI-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000583516652 834554317 /nfs/dbraw/zinc/55/43/17/834554317.db2.gz HSNHQYXVTCVACI-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511253534 834554362 /nfs/dbraw/zinc/55/43/62/834554362.db2.gz OCFAWFXVVKGPRT-RIFZZMRRSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511253534 834554368 /nfs/dbraw/zinc/55/43/68/834554368.db2.gz OCFAWFXVVKGPRT-RIFZZMRRSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCCn4ccnc43)cc2)C[C@H]1C ZINC000655739038 837785572 /nfs/dbraw/zinc/78/55/72/837785572.db2.gz USTRBVFWDLWPSB-JQVVWYNYSA-N 2 1 382.552 3.517 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000583572468 834665766 /nfs/dbraw/zinc/66/57/66/834665766.db2.gz JYQMYUZZRZDTBR-HROJSSOGSA-N 2 1 389.543 3.785 20 0 GHADMP CCOC1CCC([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000657868644 834707312 /nfs/dbraw/zinc/70/73/12/834707312.db2.gz PXLCYGPUCAQBFC-UHFFFAOYSA-N 2 1 390.568 3.614 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000458801057 834757880 /nfs/dbraw/zinc/75/78/80/834757880.db2.gz WXYYXGGFEFUSAI-COPCDDAFSA-N 2 1 388.600 3.756 20 0 GHADMP c1ccc(CC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)Cc2ccccc2)cc1 ZINC000655755249 837827271 /nfs/dbraw/zinc/82/72/71/837827271.db2.gz UZEKDOZQQQJFKL-RUZDIDTESA-N 2 1 378.560 3.931 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCc4c(F)cccc43)CC2)CC1 ZINC000655119114 835183491 /nfs/dbraw/zinc/18/34/91/835183491.db2.gz HOZIAQJLAOGOJJ-JOCHJYFZSA-N 2 1 387.543 3.516 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158284916 835295578 /nfs/dbraw/zinc/29/55/78/835295578.db2.gz FCMQNQIGPIYDIS-KNKQGSTJSA-N 2 1 397.567 3.522 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158284916 835295586 /nfs/dbraw/zinc/29/55/86/835295586.db2.gz FCMQNQIGPIYDIS-KNKQGSTJSA-N 2 1 397.567 3.522 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000278529115 835314152 /nfs/dbraw/zinc/31/41/52/835314152.db2.gz HIVUXDHPMJUAGA-UHFFFAOYSA-N 2 1 379.504 3.669 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000430235900 835314629 /nfs/dbraw/zinc/31/46/29/835314629.db2.gz FWSYIBPYARMOSL-LADGPHEKSA-N 2 1 398.595 3.701 20 0 GHADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657970504 835327304 /nfs/dbraw/zinc/32/73/04/835327304.db2.gz FAVSLVXQDVVIGY-UEQSERJNSA-N 2 1 386.580 3.708 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000658074424 835399758 /nfs/dbraw/zinc/39/97/58/835399758.db2.gz UXCDOBCYLCEGSJ-JOZNFPNDSA-N 2 1 377.532 3.608 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OC ZINC000658141261 835453021 /nfs/dbraw/zinc/45/30/21/835453021.db2.gz WIGAIULJOOGCGU-FGSXEWAUSA-N 2 1 398.547 3.552 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cc2)C1 ZINC000658140071 835464594 /nfs/dbraw/zinc/46/45/94/835464594.db2.gz SINRYVDYPMGRLG-LADGPHEKSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cc2)C1 ZINC000658140071 835464597 /nfs/dbraw/zinc/46/45/97/835464597.db2.gz SINRYVDYPMGRLG-LADGPHEKSA-N 2 1 391.490 3.667 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657819476 835465842 /nfs/dbraw/zinc/46/58/42/835465842.db2.gz WSGDLJDSCHZDBN-PBHICJAKSA-N 2 1 380.508 3.720 20 0 GHADMP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC(F)(F)CC1 ZINC000658321602 835573949 /nfs/dbraw/zinc/57/39/49/835573949.db2.gz RAGTWEUHJZCCBH-HSALFYBXSA-N 2 1 378.507 3.817 20 0 GHADMP C[C@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@H]([C@H](C)O)C3)c2)C1 ZINC000584213131 835768111 /nfs/dbraw/zinc/76/81/11/835768111.db2.gz ZHONXLSRBWDQQD-IDPBPBMLSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@H](O)[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@H]([C@H](C)O)C3)c2)C1 ZINC000584213131 835768122 /nfs/dbraw/zinc/76/81/22/835768122.db2.gz ZHONXLSRBWDQQD-IDPBPBMLSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@H](O)[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@H]([C@H](C)O)C3)c2)C1 ZINC000584213131 835768133 /nfs/dbraw/zinc/76/81/33/835768133.db2.gz ZHONXLSRBWDQQD-IDPBPBMLSA-N 2 1 394.987 3.526 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000109311158 835797278 /nfs/dbraw/zinc/79/72/78/835797278.db2.gz CZXAHURVIKCSNN-XZOQPEGZSA-N 2 1 379.548 3.626 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000431630674 835909501 /nfs/dbraw/zinc/90/95/01/835909501.db2.gz MXRJIFDPNNCJKX-HXUWFJFHSA-N 2 1 377.960 3.685 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000547748305 836001297 /nfs/dbraw/zinc/00/12/97/836001297.db2.gz BAHFLFYXZHYBBS-ICSRJNTNSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483518 844154324 /nfs/dbraw/zinc/15/43/24/844154324.db2.gz BSENCGMYQNBULP-RBBKRZOGSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@H](NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483518 844154325 /nfs/dbraw/zinc/15/43/25/844154325.db2.gz BSENCGMYQNBULP-RBBKRZOGSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@H](NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483518 844154331 /nfs/dbraw/zinc/15/43/31/844154331.db2.gz BSENCGMYQNBULP-RBBKRZOGSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483717 844154538 /nfs/dbraw/zinc/15/45/38/844154538.db2.gz WFHZNZFAIKBUIO-KNQAVFIVSA-N 2 1 377.532 3.814 20 0 GHADMP C[N@@H+](CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC000545308851 836383839 /nfs/dbraw/zinc/38/38/39/836383839.db2.gz PMJHJIYNERFPQS-UHFFFAOYSA-N 2 1 375.582 3.829 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NCc1cccs1 ZINC000174155612 836388410 /nfs/dbraw/zinc/38/84/10/836388410.db2.gz HQWKRNCPPPPRKD-QGZVFWFLSA-N 2 1 397.544 3.768 20 0 GHADMP CCOc1c(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093734946 844193191 /nfs/dbraw/zinc/19/31/91/844193191.db2.gz OWRNVXIVDCYMGP-UHFFFAOYSA-N 2 1 396.959 3.824 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471280177 836841789 /nfs/dbraw/zinc/84/17/89/836841789.db2.gz QLKDQWBEKYGVRQ-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000431696802 836900801 /nfs/dbraw/zinc/90/08/01/836900801.db2.gz FHRZATPULBSVJG-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431696802 836900807 /nfs/dbraw/zinc/90/08/07/836900807.db2.gz FHRZATPULBSVJG-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431696802 836900816 /nfs/dbraw/zinc/90/08/16/836900816.db2.gz FHRZATPULBSVJG-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000547828510 837161849 /nfs/dbraw/zinc/16/18/49/837161849.db2.gz RHCQWPGFLAYQDK-WMZHIEFXSA-N 2 1 379.548 3.827 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000547831718 837183879 /nfs/dbraw/zinc/18/38/79/837183879.db2.gz XKXAPJXPGSCTJE-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000547831718 837183885 /nfs/dbraw/zinc/18/38/85/837183885.db2.gz XKXAPJXPGSCTJE-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000664107978 844245983 /nfs/dbraw/zinc/24/59/83/844245983.db2.gz RRDMLBGMNRPFNI-UYAOXDASSA-N 2 1 386.584 3.537 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414347296 837274770 /nfs/dbraw/zinc/27/47/70/837274770.db2.gz HIBYOZVJNNDQEU-JXXFODFXSA-N 2 1 394.401 3.732 20 0 GHADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3C(C)C)cc2Cl)CC1 ZINC001125381599 837961323 /nfs/dbraw/zinc/96/13/23/837961323.db2.gz YWLYHRJPZQWRAC-HXUWFJFHSA-N 2 1 392.975 3.683 20 0 GHADMP C[C@H](c1ccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1)[NH+]1CCOCC1 ZINC000659291637 838216826 /nfs/dbraw/zinc/21/68/26/838216826.db2.gz IPHSLIAEHSGZPK-DYESRHJHSA-N 2 1 393.531 3.711 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000535684657 844305439 /nfs/dbraw/zinc/30/54/39/844305439.db2.gz AJTDTGBWVWBOJO-DYESRHJHSA-N 2 1 398.526 3.522 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C(C)(C)C)C[C@H]3C)CC2)CC1 ZINC000579976664 838240396 /nfs/dbraw/zinc/24/03/96/838240396.db2.gz NPLBCAAJPOPPEQ-QUCCMNQESA-N 2 1 377.617 3.856 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000584518154 838241295 /nfs/dbraw/zinc/24/12/95/838241295.db2.gz SGPWQRRAAJQGKU-UZLBHIALSA-N 2 1 396.510 3.504 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415912286 838268148 /nfs/dbraw/zinc/26/81/48/838268148.db2.gz LFABPFBAOSZFON-WIYYLYMNSA-N 2 1 380.536 3.923 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1cccc(Cl)c1Cl ZINC000659309299 838275960 /nfs/dbraw/zinc/27/59/60/838275960.db2.gz JHXWENAPGLLJGA-KRWDZBQOSA-N 2 1 382.266 3.677 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000415935746 838289306 /nfs/dbraw/zinc/28/93/06/838289306.db2.gz VJKPJYFKBFIRJV-FGZHOGPDSA-N 2 1 392.547 3.782 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415948453 838303580 /nfs/dbraw/zinc/30/35/80/838303580.db2.gz YNFLLNIYMOWCMZ-OAQYLSRUSA-N 2 1 380.536 3.782 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415965217 838324056 /nfs/dbraw/zinc/32/40/56/838324056.db2.gz ZRDTXTLPEXHGAA-MRXNPFEDSA-N 2 1 384.446 3.550 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000415991067 838360705 /nfs/dbraw/zinc/36/07/05/838360705.db2.gz OMOURCXGCURKJN-UHFFFAOYSA-N 2 1 380.536 3.879 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)N1CCCc2ccccc21 ZINC001167326766 838363811 /nfs/dbraw/zinc/36/38/11/838363811.db2.gz QMJHWGZTXJPQCN-OAQYLSRUSA-N 2 1 383.580 3.944 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415999805 838377300 /nfs/dbraw/zinc/37/73/00/838377300.db2.gz VZZPJIUDRLFBHE-VGOFRKELSA-N 2 1 378.520 3.807 20 0 GHADMP CSc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](n3cnc4c3CCCC4)C2)cc1 ZINC000548011159 838460620 /nfs/dbraw/zinc/46/06/20/838460620.db2.gz YCBBUKKFQIBSCY-NVXWUHKLSA-N 2 1 384.549 3.758 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653123451 838514879 /nfs/dbraw/zinc/51/48/79/838514879.db2.gz ZAGOHCKOVOLOJS-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@@H](c1ccccc1)[NH+](C)C ZINC000613591809 838540016 /nfs/dbraw/zinc/54/00/16/838540016.db2.gz CKPOHFXCIBGXMI-HJPURHCSSA-N 2 1 390.531 3.577 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@@H](c1ccccc1)[NH+](C)C ZINC000613591809 838540022 /nfs/dbraw/zinc/54/00/22/838540022.db2.gz CKPOHFXCIBGXMI-HJPURHCSSA-N 2 1 390.531 3.577 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416150105 838628436 /nfs/dbraw/zinc/62/84/36/838628436.db2.gz ZDACQFCYGQUVNR-UHFFFAOYSA-N 2 1 379.548 3.545 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000376766323 838724503 /nfs/dbraw/zinc/72/45/03/838724503.db2.gz DIPFYHFVBYVRQZ-QUFMSWDXSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000376766323 838724515 /nfs/dbraw/zinc/72/45/15/838724515.db2.gz DIPFYHFVBYVRQZ-QUFMSWDXSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000376766323 838724524 /nfs/dbraw/zinc/72/45/24/838724524.db2.gz DIPFYHFVBYVRQZ-QUFMSWDXSA-N 2 1 398.595 3.685 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)cc1F ZINC000376832858 838768689 /nfs/dbraw/zinc/76/86/89/838768689.db2.gz GRXIDPWKGFWSDG-HNNXBMFYSA-N 2 1 376.439 3.751 20 0 GHADMP C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181311721 838770966 /nfs/dbraw/zinc/77/09/66/838770966.db2.gz NHGIAHKYUMUSGT-INIZCTEOSA-N 2 1 382.533 3.996 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000377132573 839027540 /nfs/dbraw/zinc/02/75/40/839027540.db2.gz XUPWNNMCZQRVRF-HTUFRPJOSA-N 2 1 384.564 3.605 20 0 GHADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(C)(C)C[NH+](C)C ZINC000511546045 839058457 /nfs/dbraw/zinc/05/84/57/839058457.db2.gz FAZONGHIJQPSSU-QUCCMNQESA-N 2 1 388.600 3.563 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415036258 839084891 /nfs/dbraw/zinc/08/48/91/839084891.db2.gz FODHBYHDECWBTM-UYAOXDASSA-N 2 1 392.469 3.914 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415036258 839084895 /nfs/dbraw/zinc/08/48/95/839084895.db2.gz FODHBYHDECWBTM-UYAOXDASSA-N 2 1 392.469 3.914 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415055742 839138263 /nfs/dbraw/zinc/13/82/63/839138263.db2.gz RJDLPXJMDRUSAU-NHCUHLMSSA-N 2 1 381.520 3.633 20 0 GHADMP COc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1Cl ZINC000659992036 839165011 /nfs/dbraw/zinc/16/50/11/839165011.db2.gz FPAGSSBYMCODSU-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298159 839208219 /nfs/dbraw/zinc/20/82/19/839208219.db2.gz PBBPZOMMJDTCGV-VQTJNVASSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298159 839208233 /nfs/dbraw/zinc/20/82/33/839208233.db2.gz PBBPZOMMJDTCGV-VQTJNVASSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298159 839208243 /nfs/dbraw/zinc/20/82/43/839208243.db2.gz PBBPZOMMJDTCGV-VQTJNVASSA-N 2 1 381.495 3.608 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000066793798 839765035 /nfs/dbraw/zinc/76/50/35/839765035.db2.gz SKZFPQCXHGERPP-QHCPKHFHSA-N 2 1 377.532 3.762 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000066793798 839765046 /nfs/dbraw/zinc/76/50/46/839765046.db2.gz SKZFPQCXHGERPP-QHCPKHFHSA-N 2 1 377.532 3.762 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000535813264 844493597 /nfs/dbraw/zinc/49/35/97/844493597.db2.gz XRUYVSIWXPPJNN-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000535813264 844493601 /nfs/dbraw/zinc/49/36/01/844493601.db2.gz XRUYVSIWXPPJNN-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535805890 844504136 /nfs/dbraw/zinc/50/41/36/844504136.db2.gz YPYKFVNTRROTCD-BHIYHBOVSA-N 2 1 397.346 3.953 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535805890 844504141 /nfs/dbraw/zinc/50/41/41/844504141.db2.gz YPYKFVNTRROTCD-BHIYHBOVSA-N 2 1 397.346 3.953 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000416854005 840232172 /nfs/dbraw/zinc/23/21/72/840232172.db2.gz OSIGIHBUZUYQPI-LSTHTHJFSA-N 2 1 392.975 3.506 20 0 GHADMP CCN(C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418482371 840301172 /nfs/dbraw/zinc/30/11/72/840301172.db2.gz FAUSMHDWYZAISS-PGRDOPGGSA-N 2 1 380.536 3.512 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000416966731 840316001 /nfs/dbraw/zinc/31/60/01/840316001.db2.gz FYWPKGYFNBWFFX-UNMCSNQZSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000416974740 840332100 /nfs/dbraw/zinc/33/21/00/840332100.db2.gz LRPSIUZHQKTVGF-XMSQKQJNSA-N 2 1 380.536 3.560 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000416974734 840332372 /nfs/dbraw/zinc/33/23/72/840332372.db2.gz LRPSIUZHQKTVGF-AVRDEDQJSA-N 2 1 380.536 3.560 20 0 GHADMP C[C@H](CCNC(=O)N1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473019247 840416379 /nfs/dbraw/zinc/41/63/79/840416379.db2.gz ZCGKCOOWDADYBX-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510363328 840513869 /nfs/dbraw/zinc/51/38/69/840513869.db2.gz LDSQCFLKOFFLIJ-HXUWFJFHSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314991 840713496 /nfs/dbraw/zinc/71/34/96/840713496.db2.gz RSAYJCDAAAUKMF-RZXSNQJFSA-N 2 1 397.588 3.727 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000660192936 840738179 /nfs/dbraw/zinc/73/81/79/840738179.db2.gz VSTHQJCHYPRKMQ-QGZVFWFLSA-N 2 1 393.510 3.762 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000581139989 840777571 /nfs/dbraw/zinc/77/75/71/840777571.db2.gz IXVMONNKIUKDQX-QHCPKHFHSA-N 2 1 383.580 3.759 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000652117344 840803504 /nfs/dbraw/zinc/80/35/04/840803504.db2.gz WDGDXHDXTUKBQJ-RDJZCZTQSA-N 2 1 376.932 3.512 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000509906993 844583554 /nfs/dbraw/zinc/58/35/54/844583554.db2.gz AYPZMGIABKHFIU-KRWDZBQOSA-N 2 1 379.504 3.796 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000544143135 840947169 /nfs/dbraw/zinc/94/71/69/840947169.db2.gz YQGYTMVQYLFDOL-SJLPKXTDSA-N 2 1 381.358 3.806 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000544143135 840947173 /nfs/dbraw/zinc/94/71/73/840947173.db2.gz YQGYTMVQYLFDOL-SJLPKXTDSA-N 2 1 381.358 3.806 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000544143135 840947178 /nfs/dbraw/zinc/94/71/78/840947178.db2.gz YQGYTMVQYLFDOL-SJLPKXTDSA-N 2 1 381.358 3.806 20 0 GHADMP COC1(C[C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CCC1 ZINC000277069847 844595706 /nfs/dbraw/zinc/59/57/06/844595706.db2.gz IRFJFCFQBJEKRS-LJQANCHMSA-N 2 1 390.568 3.614 20 0 GHADMP [NH3+]CCCN(CC1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000417585335 841031493 /nfs/dbraw/zinc/03/14/93/841031493.db2.gz ORFUJNZXCUDEKV-NOTZXAQLSA-N 2 1 398.595 3.733 20 0 GHADMP [NH3+][C@@H](c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1 ZINC000656468930 841054201 /nfs/dbraw/zinc/05/42/01/841054201.db2.gz VTINCOUQOFILFN-DYESRHJHSA-N 2 1 381.911 3.502 20 0 GHADMP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673940 841087331 /nfs/dbraw/zinc/08/73/31/841087331.db2.gz AQIKEVUXVBPSLU-NRFANRHFSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417914403 841269716 /nfs/dbraw/zinc/26/97/16/841269716.db2.gz ASWLLPXHEFNJJY-XQBPLPMBSA-N 2 1 394.563 3.806 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001167458820 841273353 /nfs/dbraw/zinc/27/33/53/841273353.db2.gz YQSZTRXYIPQTQH-FQEVSTJZSA-N 2 1 379.589 3.831 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000277116766 844630810 /nfs/dbraw/zinc/63/08/10/844630810.db2.gz HLSXIPMGTKGGDR-UHFFFAOYSA-N 2 1 394.519 3.881 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000277116766 844630813 /nfs/dbraw/zinc/63/08/13/844630813.db2.gz HLSXIPMGTKGGDR-UHFFFAOYSA-N 2 1 394.519 3.881 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cc(F)ccc1F ZINC000364184180 841318011 /nfs/dbraw/zinc/31/80/11/841318011.db2.gz RNOYLQCDSSQCKS-UHFFFAOYSA-N 2 1 394.510 3.625 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000662739355 841521664 /nfs/dbraw/zinc/52/16/64/841521664.db2.gz MWWYKXHVOCSFJN-KBAYOESNSA-N 2 1 397.485 3.593 20 0 GHADMP C[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000581487250 841534003 /nfs/dbraw/zinc/53/40/03/841534003.db2.gz BPIQWRKEZZRVQV-VKUXKFIQSA-N 2 1 379.548 3.739 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OCc1ccncc1 ZINC000656781950 841912782 /nfs/dbraw/zinc/91/27/82/841912782.db2.gz AQTFOUJDRVBMQI-JOCHJYFZSA-N 2 1 395.547 3.881 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OCc1cccnc1 ZINC000656784150 841921483 /nfs/dbraw/zinc/92/14/83/841921483.db2.gz ZAAQADIKGVKAEZ-QFIPXVFZSA-N 2 1 395.547 3.881 20 0 GHADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1OCc1ccccc1 ZINC000432354538 842146756 /nfs/dbraw/zinc/14/67/56/842146756.db2.gz XXAJNOCOOZHWCV-HXUWFJFHSA-N 2 1 398.547 3.865 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564604 842288368 /nfs/dbraw/zinc/28/83/68/842288368.db2.gz WOXPOJGQEBTHKV-UGKGYDQZSA-N 2 1 399.579 3.603 20 0 GHADMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000652344871 842311595 /nfs/dbraw/zinc/31/15/95/842311595.db2.gz MHZQHHWROVVRKR-UHFFFAOYSA-N 2 1 397.519 3.508 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)C1 ZINC000652349191 842328741 /nfs/dbraw/zinc/32/87/41/842328741.db2.gz FHWWZKNBKIOFOV-SFHLNBCPSA-N 2 1 385.577 3.647 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@H]1C[NH3+] ZINC000652355887 842354912 /nfs/dbraw/zinc/35/49/12/842354912.db2.gz KTZQHJIAYLFMKQ-RHSMWYFYSA-N 2 1 390.940 3.512 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C[C@H]1C[NH3+] ZINC000652355887 842354923 /nfs/dbraw/zinc/35/49/23/842354923.db2.gz KTZQHJIAYLFMKQ-RHSMWYFYSA-N 2 1 390.940 3.512 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000511907706 842359505 /nfs/dbraw/zinc/35/95/05/842359505.db2.gz YVOXBGSMHJTLFM-FCHUYYIVSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000511907706 842359517 /nfs/dbraw/zinc/35/95/17/842359517.db2.gz YVOXBGSMHJTLFM-FCHUYYIVSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000511907706 842359530 /nfs/dbraw/zinc/35/95/30/842359530.db2.gz YVOXBGSMHJTLFM-FCHUYYIVSA-N 2 1 398.595 3.603 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)[C@H]1c1cccs1 ZINC000891597690 842400731 /nfs/dbraw/zinc/40/07/31/842400731.db2.gz RMQWXNLMVDAMAB-PLMTUMEDSA-N 2 1 392.613 3.538 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000164688103 842432666 /nfs/dbraw/zinc/43/26/66/842432666.db2.gz MWGLFSKKRVNVIZ-CQSZACIVSA-N 2 1 393.329 3.741 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000164687991 842432725 /nfs/dbraw/zinc/43/27/25/842432725.db2.gz MWGLFSKKRVNVIZ-AWEZNQCLSA-N 2 1 393.329 3.741 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471793540 842557572 /nfs/dbraw/zinc/55/75/72/842557572.db2.gz ODVZJOIUVVDKCU-LEWJYISDSA-N 2 1 382.552 3.595 20 0 GHADMP Cc1ccc(CCCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430687482 842576927 /nfs/dbraw/zinc/57/69/27/842576927.db2.gz YKIPIXIZGFWIGR-UHFFFAOYSA-N 2 1 399.623 3.972 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000581911752 842643182 /nfs/dbraw/zinc/64/31/82/842643182.db2.gz JCHYWJCCVUMORE-DLBZAZTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000581911752 842643189 /nfs/dbraw/zinc/64/31/89/842643189.db2.gz JCHYWJCCVUMORE-DLBZAZTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000581911752 842643233 /nfs/dbraw/zinc/64/32/33/842643233.db2.gz JCHYWJCCVUMORE-DLBZAZTESA-N 2 1 386.458 3.943 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@@H]1CCC[NH2+]C1 ZINC000430697282 842764212 /nfs/dbraw/zinc/76/42/12/842764212.db2.gz AVGNJMWGYWJMEX-BKULYWANSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000518440434 842975258 /nfs/dbraw/zinc/97/52/58/842975258.db2.gz SYURIDKYSHUJRL-FEFURNDJSA-N 2 1 394.506 3.568 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000518440434 842975267 /nfs/dbraw/zinc/97/52/67/842975267.db2.gz SYURIDKYSHUJRL-FEFURNDJSA-N 2 1 394.506 3.568 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)n1CC(F)(F)F ZINC000662292422 843084747 /nfs/dbraw/zinc/08/47/47/843084747.db2.gz FIUSAFREASEVCQ-KRWDZBQOSA-N 2 1 385.474 3.562 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CCO1 ZINC000662319455 843139135 /nfs/dbraw/zinc/13/91/35/843139135.db2.gz NMVAAYGFVOUWCN-FQEVSTJZSA-N 2 1 378.520 3.544 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CCO1 ZINC000662319455 843139138 /nfs/dbraw/zinc/13/91/38/843139138.db2.gz NMVAAYGFVOUWCN-FQEVSTJZSA-N 2 1 378.520 3.544 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc2)CC1 ZINC000182302948 843164420 /nfs/dbraw/zinc/16/44/20/843164420.db2.gz JXBRRHFHOJGNKR-GOTSBHOMSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000178712221 861400850 /nfs/dbraw/zinc/40/08/50/861400850.db2.gz AIYQEJKWBMICIM-OAFZBRQQSA-N 2 1 380.374 3.594 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc4ccccc4s3)CC2)CC1 ZINC000430955227 843261319 /nfs/dbraw/zinc/26/13/19/843261319.db2.gz LKZQNZBECDTIJU-UHFFFAOYSA-N 2 1 386.609 3.924 20 0 GHADMP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662582646 843420876 /nfs/dbraw/zinc/42/08/76/843420876.db2.gz QWFJHGNGGGYRGO-GVDBMIGSSA-N 2 1 383.561 3.517 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662582646 843420881 /nfs/dbraw/zinc/42/08/81/843420881.db2.gz QWFJHGNGGGYRGO-GVDBMIGSSA-N 2 1 383.561 3.517 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535659174 843504163 /nfs/dbraw/zinc/50/41/63/843504163.db2.gz MVKOWECSCVRFPK-DZFGPLHGSA-N 2 1 389.971 3.856 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535659174 843504169 /nfs/dbraw/zinc/50/41/69/843504169.db2.gz MVKOWECSCVRFPK-DZFGPLHGSA-N 2 1 389.971 3.856 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535659174 843504176 /nfs/dbraw/zinc/50/41/76/843504176.db2.gz MVKOWECSCVRFPK-DZFGPLHGSA-N 2 1 389.971 3.856 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535659174 843504182 /nfs/dbraw/zinc/50/41/82/843504182.db2.gz MVKOWECSCVRFPK-DZFGPLHGSA-N 2 1 389.971 3.856 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662676584 843509939 /nfs/dbraw/zinc/50/99/39/843509939.db2.gz YLHRSIQYJPSJOQ-VFNWGFHPSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662676584 843509945 /nfs/dbraw/zinc/50/99/45/843509945.db2.gz YLHRSIQYJPSJOQ-VFNWGFHPSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431062718 843524623 /nfs/dbraw/zinc/52/46/23/843524623.db2.gz SQIZMTKGTKWPOJ-PGRDOPGGSA-N 2 1 390.531 3.555 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418675004 843525864 /nfs/dbraw/zinc/52/58/64/843525864.db2.gz PGOWFJYDEFVNIL-REWPJTCUSA-N 2 1 394.563 3.630 20 0 GHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182341949 843529238 /nfs/dbraw/zinc/52/92/38/843529238.db2.gz VVNSHAXJVRPLBI-RRPUWOKSSA-N 2 1 398.595 3.776 20 0 GHADMP CCC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431074576 843563945 /nfs/dbraw/zinc/56/39/45/843563945.db2.gz VZXGSFUXMLFILN-NRFANRHFSA-N 2 1 389.540 3.557 20 0 GHADMP CCC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431074576 843563948 /nfs/dbraw/zinc/56/39/48/843563948.db2.gz VZXGSFUXMLFILN-NRFANRHFSA-N 2 1 389.540 3.557 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C[C@H]4CCC5(CCCCC5)O4)CC3)C2)cc1 ZINC000512426828 843768123 /nfs/dbraw/zinc/76/81/23/843768123.db2.gz JAFBBGLVNXGUAI-BJKOFHAPSA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@H]4CCC5(CCCCC5)O4)CC3)C2)cc1 ZINC000512426828 843768129 /nfs/dbraw/zinc/76/81/29/843768129.db2.gz JAFBBGLVNXGUAI-BJKOFHAPSA-N 2 1 397.607 3.760 20 0 GHADMP Cc1cccc2c1C[N@@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000429579789 843793565 /nfs/dbraw/zinc/79/35/65/843793565.db2.gz RVLZCOWPEDFVCD-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP CSc1cc2c(cc1C[N@H+]1CC[C@@H](CNc3cccc(C)[nH+]3)C1)OCCO2 ZINC000512850347 843884271 /nfs/dbraw/zinc/88/42/71/843884271.db2.gz ISCJSPOXSMMQAU-INIZCTEOSA-N 2 1 385.533 3.817 20 0 GHADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000512617939 844776037 /nfs/dbraw/zinc/77/60/37/844776037.db2.gz HAMVVXSFDZARRW-YPAWHYETSA-N 2 1 383.580 3.525 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000179268362 861515296 /nfs/dbraw/zinc/51/52/96/861515296.db2.gz GYKUUBPMPNRVKE-GOTSBHOMSA-N 2 1 392.547 3.527 20 0 GHADMP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000549869343 845021543 /nfs/dbraw/zinc/02/15/43/845021543.db2.gz KGGLZGDNTNYCAC-HXUWFJFHSA-N 2 1 386.486 3.983 20 0 GHADMP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000549869343 845021560 /nfs/dbraw/zinc/02/15/60/845021560.db2.gz KGGLZGDNTNYCAC-HXUWFJFHSA-N 2 1 386.486 3.983 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000513267158 845158687 /nfs/dbraw/zinc/15/86/87/845158687.db2.gz KOHWQCCPFCQSAQ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513267158 845158696 /nfs/dbraw/zinc/15/86/96/845158696.db2.gz KOHWQCCPFCQSAQ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513267158 845158701 /nfs/dbraw/zinc/15/87/01/845158701.db2.gz KOHWQCCPFCQSAQ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262336683 845336741 /nfs/dbraw/zinc/33/67/41/845336741.db2.gz SHCPDKANIOYFEP-VJMHVHHWSA-N 2 1 383.580 3.652 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccccc2)no1 ZINC000179389579 861559091 /nfs/dbraw/zinc/55/90/91/861559091.db2.gz KDOUMUJQHAGFHC-UHFFFAOYSA-N 2 1 377.492 3.870 20 0 GHADMP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391457 861561016 /nfs/dbraw/zinc/56/10/16/861561016.db2.gz CHDCBLYCJURUQH-FQEVSTJZSA-N 2 1 394.563 3.633 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000411444462 845465233 /nfs/dbraw/zinc/46/52/33/845465233.db2.gz NFACCJXOCMMONN-PMACEKPBSA-N 2 1 397.563 3.633 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)CC1 ZINC000093133313 845500604 /nfs/dbraw/zinc/50/06/04/845500604.db2.gz OSPCGTUFXITUGG-QHCPKHFHSA-N 2 1 397.538 3.617 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000513471578 845505924 /nfs/dbraw/zinc/50/59/24/845505924.db2.gz OQYJFSKTKKREIX-HXUWFJFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000513471578 845505933 /nfs/dbraw/zinc/50/59/33/845505933.db2.gz OQYJFSKTKKREIX-HXUWFJFHSA-N 2 1 379.548 3.875 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000513488383 845539253 /nfs/dbraw/zinc/53/92/53/845539253.db2.gz UCKZBMYKCBVRAW-CTNGQTDRSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513499484 845553301 /nfs/dbraw/zinc/55/33/01/845553301.db2.gz GRRZIHFNLDRKSJ-FPOVZHCZSA-N 2 1 389.547 3.872 20 0 GHADMP Cc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000513538135 845611893 /nfs/dbraw/zinc/61/18/93/845611893.db2.gz HLHDDPGQHLWNSN-REWPJTCUSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC001167505848 845634130 /nfs/dbraw/zinc/63/41/30/845634130.db2.gz WOOSYAYMSVSODM-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001167505848 845634141 /nfs/dbraw/zinc/63/41/41/845634141.db2.gz WOOSYAYMSVSODM-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001167505848 845634151 /nfs/dbraw/zinc/63/41/51/845634151.db2.gz WOOSYAYMSVSODM-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000513543379 845634638 /nfs/dbraw/zinc/63/46/38/845634638.db2.gz SDTKNEVJBRWLNL-MRXNPFEDSA-N 2 1 392.490 3.966 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657311342 846044603 /nfs/dbraw/zinc/04/46/03/846044603.db2.gz ZWGUPXHVUBPBQN-UHFFFAOYSA-N 2 1 380.458 3.961 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c(Cl)n[nH]c3C3CC3)CC2)CC1 ZINC000892150378 846069566 /nfs/dbraw/zinc/06/95/66/846069566.db2.gz LPCVZUURNOZMBV-UHFFFAOYSA-N 2 1 394.007 3.569 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c(Cl)n[nH]c3C3CC3)CC2)CC1 ZINC000892150378 846069569 /nfs/dbraw/zinc/06/95/69/846069569.db2.gz LPCVZUURNOZMBV-UHFFFAOYSA-N 2 1 394.007 3.569 20 0 GHADMP C[NH+](CCc1nccs1)Cc1cccc(C[N@@H+](C)CCc2nccs2)c1 ZINC000157852975 846224668 /nfs/dbraw/zinc/22/46/68/846224668.db2.gz WNFZIXANFZJFHM-UHFFFAOYSA-N 2 1 386.590 3.949 20 0 GHADMP C[C@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000653239623 846337290 /nfs/dbraw/zinc/33/72/90/846337290.db2.gz CMYUCKFBVLYXKR-CVDCTZTESA-N 2 1 379.548 3.908 20 0 GHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000657338014 846340327 /nfs/dbraw/zinc/34/03/27/846340327.db2.gz GHCWTBGBTIJYCH-FPOVZHCZSA-N 2 1 386.561 3.918 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000657338014 846340338 /nfs/dbraw/zinc/34/03/38/846340338.db2.gz GHCWTBGBTIJYCH-FPOVZHCZSA-N 2 1 386.561 3.918 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582122936 846419350 /nfs/dbraw/zinc/41/93/50/846419350.db2.gz TYIKWPIIYKNSET-MSOLQXFVSA-N 2 1 381.520 3.541 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000502849154 846542022 /nfs/dbraw/zinc/54/20/22/846542022.db2.gz WOZFWJDVSRYWRZ-COPRSSIGSA-N 2 1 394.648 3.802 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(C)C)c(F)c1 ZINC000421842303 846631451 /nfs/dbraw/zinc/63/14/51/846631451.db2.gz NNTFZJGFFHFAKI-AUSIDOKSSA-N 2 1 386.511 3.888 20 0 GHADMP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000502963519 846667232 /nfs/dbraw/zinc/66/72/32/846667232.db2.gz ZNUUANXLMFMIET-VQTJNVASSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC[NH2+]CC2 ZINC000582235822 846673699 /nfs/dbraw/zinc/67/36/99/846673699.db2.gz PHQBOPPSUAYEEX-ZDUSSCGKSA-N 2 1 380.414 3.719 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000503036592 846738002 /nfs/dbraw/zinc/73/80/02/846738002.db2.gz QMQSUXRUTWHMSL-TZIWHRDSSA-N 2 1 395.547 3.775 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000501415332 846899767 /nfs/dbraw/zinc/89/97/67/846899767.db2.gz WTIUUCNHSPUZGT-JRJUITNWSA-N 2 1 397.485 3.641 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000501415332 846899774 /nfs/dbraw/zinc/89/97/74/846899774.db2.gz WTIUUCNHSPUZGT-JRJUITNWSA-N 2 1 397.485 3.641 20 0 GHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501495335 846963927 /nfs/dbraw/zinc/96/39/27/846963927.db2.gz NXTOXRSYDFLRGM-GGPKGHCWSA-N 2 1 397.588 3.838 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000277564114 846989745 /nfs/dbraw/zinc/98/97/45/846989745.db2.gz RZOYYHXXGQICDD-NRFANRHFSA-N 2 1 375.520 3.850 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000277564114 846989751 /nfs/dbraw/zinc/98/97/51/846989751.db2.gz RZOYYHXXGQICDD-NRFANRHFSA-N 2 1 375.520 3.850 20 0 GHADMP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501775626 847176910 /nfs/dbraw/zinc/17/69/10/847176910.db2.gz PQDLTTDLSWPVOF-CQSZACIVSA-N 2 1 392.544 3.816 20 0 GHADMP C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272897226 847202458 /nfs/dbraw/zinc/20/24/58/847202458.db2.gz JEPKHAWLXMYWGX-KNQAVFIVSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(Br)ccc1F ZINC000582426196 847206370 /nfs/dbraw/zinc/20/63/70/847206370.db2.gz DTOKLWBQJMIHSN-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP C[C@H]1CCN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c2ccccc2S1 ZINC000501814348 847235271 /nfs/dbraw/zinc/23/52/71/847235271.db2.gz JFVBPFLXEMRHTB-SFHVURJKSA-N 2 1 389.609 3.958 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420809910 847448759 /nfs/dbraw/zinc/44/87/59/847448759.db2.gz VFRWGTLNYYXHTM-XTWGIRIWSA-N 2 1 386.584 3.591 20 0 GHADMP O=C(C[N@H+]1CCC[C@H](CC(F)(F)F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420955413 847575513 /nfs/dbraw/zinc/57/55/13/847575513.db2.gz WLCJBFHPMSZTMX-LJQANCHMSA-N 2 1 397.485 3.563 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420955413 847575521 /nfs/dbraw/zinc/57/55/21/847575521.db2.gz WLCJBFHPMSZTMX-LJQANCHMSA-N 2 1 397.485 3.563 20 0 GHADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420957293 847577898 /nfs/dbraw/zinc/57/78/98/847577898.db2.gz CJJXGNQIXDARHR-JFTIXFDTSA-N 2 1 386.580 3.670 20 0 GHADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420957293 847577907 /nfs/dbraw/zinc/57/79/07/847577907.db2.gz CJJXGNQIXDARHR-JFTIXFDTSA-N 2 1 386.580 3.670 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSc3ccc(Cl)cc3)CC2)CC1 ZINC000420972371 847599262 /nfs/dbraw/zinc/59/92/62/847599262.db2.gz AOYOFOHPNYKCRC-UHFFFAOYSA-N 2 1 382.017 3.924 20 0 GHADMP Cc1ccccc1C[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000626017264 847615287 /nfs/dbraw/zinc/61/52/87/847615287.db2.gz DRLZWTJAKCUSCI-NRFANRHFSA-N 2 1 399.623 3.828 20 0 GHADMP OCC[C@@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@@H](CCO)CC3)c2)CC1 ZINC000421022677 847644215 /nfs/dbraw/zinc/64/42/15/847644215.db2.gz UYQISNCQXSVNGO-FGZHOGPDSA-N 2 1 388.596 3.656 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000502265466 847650134 /nfs/dbraw/zinc/65/01/34/847650134.db2.gz BRPQLFLDVQPGLS-KAMZKSLDSA-N 2 1 379.548 3.580 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000502265466 847650140 /nfs/dbraw/zinc/65/01/40/847650140.db2.gz BRPQLFLDVQPGLS-KAMZKSLDSA-N 2 1 379.548 3.580 20 0 GHADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422697941 847772144 /nfs/dbraw/zinc/77/21/44/847772144.db2.gz WXYPIUMUPDAFCJ-UPVQGACJSA-N 2 1 379.548 3.874 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000237129612 847806376 /nfs/dbraw/zinc/80/63/76/847806376.db2.gz JQWSXYILTQKXDJ-UHFFFAOYSA-N 2 1 390.531 3.740 20 0 GHADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[C@@H](N)c4ccccc43)CC2)c1 ZINC000422805473 847831673 /nfs/dbraw/zinc/83/16/73/847831673.db2.gz GZLLJHZQBJPYLM-RPWUZVMVSA-N 2 1 378.564 3.632 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831363 847844277 /nfs/dbraw/zinc/84/42/77/847844277.db2.gz DXOKZKWTRFTDAE-JMUQELJHSA-N 3 1 397.588 3.806 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831363 847844288 /nfs/dbraw/zinc/84/42/88/847844288.db2.gz DXOKZKWTRFTDAE-JMUQELJHSA-N 3 1 397.588 3.806 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831363 847844296 /nfs/dbraw/zinc/84/42/96/847844296.db2.gz DXOKZKWTRFTDAE-JMUQELJHSA-N 2 1 397.588 3.806 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831363 847844308 /nfs/dbraw/zinc/84/43/08/847844308.db2.gz DXOKZKWTRFTDAE-JMUQELJHSA-N 2 1 397.588 3.806 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000115628899 847873278 /nfs/dbraw/zinc/87/32/78/847873278.db2.gz DLBUJFCGKPYDDY-KDOFPFPSSA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000115628899 847873287 /nfs/dbraw/zinc/87/32/87/847873287.db2.gz DLBUJFCGKPYDDY-KDOFPFPSSA-N 2 1 387.337 3.815 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cs1 ZINC000422907414 847881569 /nfs/dbraw/zinc/88/15/69/847881569.db2.gz BOIJJORBZDDZOH-PCCBWWKXSA-N 3 1 390.641 3.818 20 0 GHADMP COc1ccc([C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422962520 847904882 /nfs/dbraw/zinc/90/48/82/847904882.db2.gz FYYBVPOMQRQVIU-FUDKSRODSA-N 2 1 383.536 3.898 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC001167598843 848019690 /nfs/dbraw/zinc/01/96/90/848019690.db2.gz LRMAMOUZSYTULF-FAYOUJPWSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC001167598843 848019692 /nfs/dbraw/zinc/01/96/92/848019692.db2.gz LRMAMOUZSYTULF-FAYOUJPWSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC001167598843 848019695 /nfs/dbraw/zinc/01/96/95/848019695.db2.gz LRMAMOUZSYTULF-FAYOUJPWSA-N 2 1 391.559 3.644 20 0 GHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1cccnc1OC1CCCC1 ZINC000582719525 848135226 /nfs/dbraw/zinc/13/52/26/848135226.db2.gz DBEGDSWSMSEZHC-NFBKMPQASA-N 2 1 379.504 3.749 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)cc2)C1 ZINC000657594250 848283962 /nfs/dbraw/zinc/28/39/62/848283962.db2.gz HNSHVXLGNSPWEG-FQEVSTJZSA-N 2 1 379.529 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)cc2)C1 ZINC000657594250 848283970 /nfs/dbraw/zinc/28/39/70/848283970.db2.gz HNSHVXLGNSPWEG-FQEVSTJZSA-N 2 1 379.529 3.667 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000582921524 848697735 /nfs/dbraw/zinc/69/77/35/848697735.db2.gz GFXJGVVLNKGKNF-UHFFFAOYSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078954314 848757830 /nfs/dbraw/zinc/75/78/30/848757830.db2.gz MMEDKDQIBDXYKH-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000472274399 848783070 /nfs/dbraw/zinc/78/30/70/848783070.db2.gz GXTYOMCHNJAXBD-UYAOXDASSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000472274399 848783075 /nfs/dbraw/zinc/78/30/75/848783075.db2.gz GXTYOMCHNJAXBD-UYAOXDASSA-N 2 1 383.536 3.600 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511226660 848908044 /nfs/dbraw/zinc/90/80/44/848908044.db2.gz CFTMQDAGKMRWJZ-WPYKKVEZSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226660 848908053 /nfs/dbraw/zinc/90/80/53/848908053.db2.gz CFTMQDAGKMRWJZ-WPYKKVEZSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511226660 848908060 /nfs/dbraw/zinc/90/80/60/848908060.db2.gz CFTMQDAGKMRWJZ-WPYKKVEZSA-N 2 1 398.595 3.555 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000323229889 848998747 /nfs/dbraw/zinc/99/87/47/848998747.db2.gz SRLHGOJWXRJJAT-LBPRGKRZSA-N 2 1 393.247 3.922 20 0 GHADMP CCC(CC)(CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000511235040 849322840 /nfs/dbraw/zinc/32/28/40/849322840.db2.gz PKBCKRDOFKUQMQ-RTBURBONSA-N 2 1 386.584 3.846 20 0 GHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000162717430 849383148 /nfs/dbraw/zinc/38/31/48/849383148.db2.gz RCTPURRKBUVHGO-INIZCTEOSA-N 2 1 384.524 3.813 20 0 GHADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423101115 849743497 /nfs/dbraw/zinc/74/34/97/849743497.db2.gz IANMKESVMHYAJB-VQXXODRUSA-N 3 1 379.976 3.597 20 0 GHADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000423277692 849847690 /nfs/dbraw/zinc/84/76/90/849847690.db2.gz PUHKTYVKLLZZJW-JDFRZJQESA-N 2 1 392.345 3.506 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)c1 ZINC000423499024 849943439 /nfs/dbraw/zinc/94/34/39/849943439.db2.gz ABYIXTTZXQFAPW-OOEPIQFGSA-N 2 1 393.575 3.785 20 0 GHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423505265 849947452 /nfs/dbraw/zinc/94/74/52/849947452.db2.gz GXPFPMHGLVAYNZ-XEVCZEQESA-N 2 1 380.536 3.741 20 0 GHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000522551503 862074250 /nfs/dbraw/zinc/07/42/50/862074250.db2.gz LIYFZBQJXCQONY-AEFFLSMTSA-N 2 1 385.474 3.748 20 0 GHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522551503 862074262 /nfs/dbraw/zinc/07/42/62/862074262.db2.gz LIYFZBQJXCQONY-AEFFLSMTSA-N 2 1 385.474 3.748 20 0 GHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c2)CC1 ZINC000504200232 849968861 /nfs/dbraw/zinc/96/88/61/849968861.db2.gz ZFFCQWOLAKDRFA-HXUWFJFHSA-N 2 1 398.595 3.810 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1)C1CC[NH+](C)CC1 ZINC000668684988 850129813 /nfs/dbraw/zinc/12/98/13/850129813.db2.gz YGZCIMHVGDHAPD-UHFFFAOYSA-N 2 1 383.580 3.608 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Cl)cc1 ZINC000518781844 850143607 /nfs/dbraw/zinc/14/36/07/850143607.db2.gz ZEUGHDKRGRRPDG-PXNSSMCTSA-N 2 1 388.943 3.607 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Cl)cc1 ZINC000518781844 850143619 /nfs/dbraw/zinc/14/36/19/850143619.db2.gz ZEUGHDKRGRRPDG-PXNSSMCTSA-N 2 1 388.943 3.607 20 0 GHADMP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486828170 850148722 /nfs/dbraw/zinc/14/87/22/850148722.db2.gz VBJGYBIPDGRIOG-RXVVDRJESA-N 2 1 380.536 3.780 20 0 GHADMP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1F ZINC000486964520 850304807 /nfs/dbraw/zinc/30/48/07/850304807.db2.gz IFTDJHMATZXILO-UHFFFAOYSA-N 2 1 385.527 3.652 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424336923 850396389 /nfs/dbraw/zinc/39/63/89/850396389.db2.gz ZIKCKWHLLMYYOL-QPPBQGQZSA-N 2 1 393.575 3.626 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424336923 850396399 /nfs/dbraw/zinc/39/63/99/850396399.db2.gz ZIKCKWHLLMYYOL-QPPBQGQZSA-N 2 1 393.575 3.626 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000439800775 850421403 /nfs/dbraw/zinc/42/14/03/850421403.db2.gz LELLFVJZBYLNDK-SFHVURJKSA-N 2 1 376.520 3.583 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000443898849 862145439 /nfs/dbraw/zinc/14/54/39/862145439.db2.gz IWGJLLSSVOFHRU-UYAOXDASSA-N 2 1 390.572 3.744 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(F)cc1Cl ZINC000487268390 850629065 /nfs/dbraw/zinc/62/90/65/850629065.db2.gz MEMWLMQHUTUVJI-OAHLLOKOSA-N 2 1 384.927 3.667 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000171384756 862152595 /nfs/dbraw/zinc/15/25/95/862152595.db2.gz HJVRZIHQAJMRCA-UHFFFAOYSA-N 2 1 392.499 3.843 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000519293958 850876081 /nfs/dbraw/zinc/87/60/81/850876081.db2.gz ZHXBAHCYGDDUBS-DENIHFKCSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000519293958 850876091 /nfs/dbraw/zinc/87/60/91/850876091.db2.gz ZHXBAHCYGDDUBS-DENIHFKCSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000519293958 850876101 /nfs/dbraw/zinc/87/61/01/850876101.db2.gz ZHXBAHCYGDDUBS-DENIHFKCSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506797246 850964480 /nfs/dbraw/zinc/96/44/80/850964480.db2.gz OOXKDWAVWKCWOT-MXEMCNAFSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000506797246 850964492 /nfs/dbraw/zinc/96/44/92/850964492.db2.gz OOXKDWAVWKCWOT-MXEMCNAFSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000506797246 850964501 /nfs/dbraw/zinc/96/45/01/850964501.db2.gz OOXKDWAVWKCWOT-MXEMCNAFSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000434351797 851005248 /nfs/dbraw/zinc/00/52/48/851005248.db2.gz DIRMJIPCYOFFNE-DENIHFKCSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434351797 851005257 /nfs/dbraw/zinc/00/52/57/851005257.db2.gz DIRMJIPCYOFFNE-DENIHFKCSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434351797 851005261 /nfs/dbraw/zinc/00/52/61/851005261.db2.gz DIRMJIPCYOFFNE-DENIHFKCSA-N 2 1 390.616 3.689 20 0 GHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414876811 851153110 /nfs/dbraw/zinc/15/31/10/851153110.db2.gz LCNXJVJSESZHOV-UHFFFAOYSA-N 2 1 377.536 3.834 20 0 GHADMP CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@](CC)(CO)C3)cc2)C1 ZINC000187561993 851194042 /nfs/dbraw/zinc/19/40/42/851194042.db2.gz DINWDVWEZXILGR-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@](CC)(CO)C3)cc2)C1 ZINC000187561993 851194050 /nfs/dbraw/zinc/19/40/50/851194050.db2.gz DINWDVWEZXILGR-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@](CC)(CO)C3)cc2)C1 ZINC000187561993 851194053 /nfs/dbraw/zinc/19/40/53/851194053.db2.gz DINWDVWEZXILGR-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000514104561 851241348 /nfs/dbraw/zinc/24/13/48/851241348.db2.gz KTMIQUAOLXFYIW-XQUALCHDSA-N 2 1 386.580 3.853 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000515627047 851265711 /nfs/dbraw/zinc/26/57/11/851265711.db2.gz HPPAOPAHUGWZQT-DEOSSOPVSA-N 2 1 387.531 3.674 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1)N1CCCCC1 ZINC000436313355 851448420 /nfs/dbraw/zinc/44/84/20/851448420.db2.gz LQPUGKUJWIZODC-LYCSZFELSA-N 2 1 395.591 3.668 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(SC(C)C)cc1 ZINC000505791699 851466786 /nfs/dbraw/zinc/46/67/86/851466786.db2.gz ZALRDRLTHIKLCE-LJQANCHMSA-N 2 1 377.598 3.675 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1OC ZINC000286163920 851470318 /nfs/dbraw/zinc/47/03/18/851470318.db2.gz PZUSIPPBEFLNIL-MRXNPFEDSA-N 2 1 384.524 3.739 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405194639 851600225 /nfs/dbraw/zinc/60/02/25/851600225.db2.gz ABGAPNIAMYGEAK-NSHDSACASA-N 2 1 378.685 3.505 20 0 GHADMP O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101547063 851669493 /nfs/dbraw/zinc/66/94/93/851669493.db2.gz GKVOJBROAKTGDN-NRFANRHFSA-N 2 1 395.572 3.663 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC2(C1)CCCCC2 ZINC000303842474 851720989 /nfs/dbraw/zinc/72/09/89/851720989.db2.gz BVVWQWXHSBKPDI-HXUWFJFHSA-N 2 1 383.580 3.812 20 0 GHADMP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473738931 851805568 /nfs/dbraw/zinc/80/55/68/851805568.db2.gz MMQDOSCGMAMJFV-SFHLNBCPSA-N 2 1 388.600 3.830 20 0 GHADMP COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000664838492 851885916 /nfs/dbraw/zinc/88/59/16/851885916.db2.gz SBVZASQQITVGEF-QFIPXVFZSA-N 2 1 380.536 3.608 20 0 GHADMP O=C([C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCC1 ZINC001167977894 851930769 /nfs/dbraw/zinc/93/07/69/851930769.db2.gz IJYLHFOTJNBEGM-NHYNNZIHSA-N 2 1 395.591 3.605 20 0 GHADMP O=C([C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCC1 ZINC001167977894 851930781 /nfs/dbraw/zinc/93/07/81/851930781.db2.gz IJYLHFOTJNBEGM-NHYNNZIHSA-N 2 1 395.591 3.605 20 0 GHADMP COCCOc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000515929900 851954237 /nfs/dbraw/zinc/95/42/37/851954237.db2.gz NYZMHVJXYNIUJF-GMAHTHKFSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000515929900 851954240 /nfs/dbraw/zinc/95/42/40/851954240.db2.gz NYZMHVJXYNIUJF-GMAHTHKFSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000515929900 851954244 /nfs/dbraw/zinc/95/42/44/851954244.db2.gz NYZMHVJXYNIUJF-GMAHTHKFSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000515929900 851954246 /nfs/dbraw/zinc/95/42/46/851954246.db2.gz NYZMHVJXYNIUJF-GMAHTHKFSA-N 2 1 380.532 3.666 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(F)cccc3NC(C)C)CC2)CC1 ZINC000911931268 851975534 /nfs/dbraw/zinc/97/55/34/851975534.db2.gz SCPVLGDKFGAVGE-UHFFFAOYSA-N 2 1 390.547 3.781 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000489068385 851982336 /nfs/dbraw/zinc/98/23/36/851982336.db2.gz HQICDKUJKLDLFD-VAWZGJIGSA-N 2 1 398.595 3.584 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180738867 862307108 /nfs/dbraw/zinc/30/71/08/862307108.db2.gz VILJPCNTOSRKBK-QGZVFWFLSA-N 2 1 393.959 3.682 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[N@@H+](C)[C@@H](C)C4)cc3)nc12 ZINC000608061357 852121034 /nfs/dbraw/zinc/12/10/34/852121034.db2.gz QLHYTVLXDGKTSV-ICSRJNTNSA-N 2 1 378.520 3.794 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982847 852131013 /nfs/dbraw/zinc/13/10/13/852131013.db2.gz CLUHLLSEIJIHKG-JVXMTQNBSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982847 852131016 /nfs/dbraw/zinc/13/10/16/852131016.db2.gz CLUHLLSEIJIHKG-JVXMTQNBSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982847 852131017 /nfs/dbraw/zinc/13/10/17/852131017.db2.gz CLUHLLSEIJIHKG-JVXMTQNBSA-N 2 1 377.573 3.771 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-n3cc(CC[NH3+])c4cc(O)ccc43)c(C)c2)CC1 ZINC001167983089 852187770 /nfs/dbraw/zinc/18/77/70/852187770.db2.gz KWTARALWYMVSQP-UHFFFAOYSA-N 2 1 376.504 3.650 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000517639304 852195702 /nfs/dbraw/zinc/19/57/02/852195702.db2.gz JOSUUGCBXUUYQN-HLIPFELVSA-N 2 1 379.976 3.817 20 0 GHADMP c1cc(C[NH+]2CCC[C@H]3COCC[C@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489361182 852268564 /nfs/dbraw/zinc/26/85/64/852268564.db2.gz MYEXUBCQCMEMNM-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000489361182 852268574 /nfs/dbraw/zinc/26/85/74/852268574.db2.gz MYEXUBCQCMEMNM-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000489361182 852268589 /nfs/dbraw/zinc/26/85/89/852268589.db2.gz MYEXUBCQCMEMNM-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP COc1cccc2c1CC[NH+](CCC[N@H+]1CCc3cccc(OC)c3CC1)CC2 ZINC000489442134 852324496 /nfs/dbraw/zinc/32/44/96/852324496.db2.gz ANGRODRCIZXUSR-UHFFFAOYSA-N 2 1 394.559 3.595 20 0 GHADMP C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489569363 852465484 /nfs/dbraw/zinc/46/54/84/852465484.db2.gz ULKXIJBRPADCPC-FQEVSTJZSA-N 2 1 391.559 3.808 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)CCC(F)(F)F ZINC000426037401 852481248 /nfs/dbraw/zinc/48/12/48/852481248.db2.gz UUAJUVBYDWMLOC-VAMGGRTRSA-N 2 1 383.502 3.761 20 0 GHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000438531000 852528920 /nfs/dbraw/zinc/52/89/20/852528920.db2.gz CSWJLPCUHKLLQS-HXUWFJFHSA-N 2 1 385.577 3.551 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000426969601 852582980 /nfs/dbraw/zinc/58/29/80/852582980.db2.gz WQBDFCNBVJDJBP-UHFFFAOYSA-N 2 1 385.418 3.827 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[NH+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000489844595 852604492 /nfs/dbraw/zinc/60/44/92/852604492.db2.gz YGUIKISJBYOGNM-FCJDFRRUSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000489844595 852604497 /nfs/dbraw/zinc/60/44/97/852604497.db2.gz YGUIKISJBYOGNM-FCJDFRRUSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC000489844595 852604500 /nfs/dbraw/zinc/60/45/00/852604500.db2.gz YGUIKISJBYOGNM-FCJDFRRUSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000489856181 852611180 /nfs/dbraw/zinc/61/11/80/852611180.db2.gz WGVYWLZXDWXVSW-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000507193491 852664635 /nfs/dbraw/zinc/66/46/35/852664635.db2.gz OEMWNDPLSPJVLA-LJQANCHMSA-N 2 1 393.522 3.523 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000490085208 852762312 /nfs/dbraw/zinc/76/23/12/852762312.db2.gz DNSYWJGICMJZKZ-QHCPKHFHSA-N 2 1 379.504 3.523 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000490085208 852762316 /nfs/dbraw/zinc/76/23/16/852762316.db2.gz DNSYWJGICMJZKZ-QHCPKHFHSA-N 2 1 379.504 3.523 20 0 GHADMP CCOc1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1O ZINC000507399571 852892458 /nfs/dbraw/zinc/89/24/58/852892458.db2.gz IRYBWQNBBIKHFK-HDICACEKSA-N 2 1 384.520 3.690 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595411 853029535 /nfs/dbraw/zinc/02/95/35/853029535.db2.gz HHFPDQVGXABIJL-JBACZVJFSA-N 2 1 398.551 3.625 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(C(C)(C)C)s2)[C@H](c2ccccc2)C1 ZINC000518268092 853140428 /nfs/dbraw/zinc/14/04/28/853140428.db2.gz DRJYXBLKAOEYIC-FQEVSTJZSA-N 2 1 386.609 3.909 20 0 GHADMP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2I)CC1 ZINC000405495029 853220054 /nfs/dbraw/zinc/22/00/54/853220054.db2.gz AXYXICGCBCPIDW-JTQLQIEISA-N 2 1 378.685 3.504 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490779998 853255424 /nfs/dbraw/zinc/25/54/24/853255424.db2.gz DDLHGOZIBQABDU-RBDMOPTHSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490779998 853255426 /nfs/dbraw/zinc/25/54/26/853255426.db2.gz DDLHGOZIBQABDU-RBDMOPTHSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490797999 853270155 /nfs/dbraw/zinc/27/01/55/853270155.db2.gz PDFUTNIUSMOYMY-KSEOMHKRSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797999 853270163 /nfs/dbraw/zinc/27/01/63/853270163.db2.gz PDFUTNIUSMOYMY-KSEOMHKRSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797999 853270171 /nfs/dbraw/zinc/27/01/71/853270171.db2.gz PDFUTNIUSMOYMY-KSEOMHKRSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC34CCC[NH+]3CCC4)c2c1C ZINC000439137313 853332708 /nfs/dbraw/zinc/33/27/08/853332708.db2.gz SDKGUQBCXXCINL-UHFFFAOYSA-N 2 1 385.581 3.944 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](c4ccccc4)C[C@H]3C)CC2)CC1 ZINC000519700694 853385493 /nfs/dbraw/zinc/38/54/93/853385493.db2.gz GHXNNEHZXOCMAD-KNQAVFIVSA-N 2 1 383.580 3.587 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623860685 862462487 /nfs/dbraw/zinc/46/24/87/862462487.db2.gz BLEXYKIGEBRQRB-ROUUACIJSA-N 2 1 399.560 3.622 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000491075972 853418847 /nfs/dbraw/zinc/41/88/47/853418847.db2.gz NFYQFFLVYPNAJU-DEOSSOPVSA-N 2 1 396.575 3.887 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000517169669 853459163 /nfs/dbraw/zinc/45/91/63/853459163.db2.gz ARYWGUYMMJZHJJ-QFIPXVFZSA-N 2 1 389.559 3.835 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000518518580 853463383 /nfs/dbraw/zinc/46/33/83/853463383.db2.gz CCDUTCKDXVVYOO-HLAWJBBLSA-N 2 1 393.531 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000518518580 853463386 /nfs/dbraw/zinc/46/33/86/853463386.db2.gz CCDUTCKDXVVYOO-HLAWJBBLSA-N 2 1 393.531 3.550 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@H](C)C3CCCCC3)CC2)CC1 ZINC000519782527 853488202 /nfs/dbraw/zinc/48/82/02/853488202.db2.gz UOALYGCJJLSINC-RBUKOAKNSA-N 2 1 377.617 3.904 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)CC(C)C ZINC000517228312 853538916 /nfs/dbraw/zinc/53/89/16/853538916.db2.gz MCLBYMBNZVSIEB-FQEVSTJZSA-N 2 1 389.588 3.546 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506559242 853612380 /nfs/dbraw/zinc/61/23/80/853612380.db2.gz BFTFENFYIKWYHR-NHCUHLMSSA-N 2 1 387.612 3.853 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(C2CC[NH+](CC4CC4)CC2)CC3)c1 ZINC001168377375 853615407 /nfs/dbraw/zinc/61/54/07/853615407.db2.gz FXHQWCMCGWDPPB-UHFFFAOYSA-N 2 1 397.607 3.858 20 0 GHADMP Cc1cc(Br)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212144696 853644748 /nfs/dbraw/zinc/64/47/48/853644748.db2.gz AXHNVDSRMOGCJK-HNNXBMFYSA-N 2 1 381.318 3.976 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000519938344 853650716 /nfs/dbraw/zinc/65/07/16/853650716.db2.gz MJEHWDZZIVVYIC-IFMALSPDSA-N 2 1 397.588 3.741 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000519938344 853650723 /nfs/dbraw/zinc/65/07/23/853650723.db2.gz MJEHWDZZIVVYIC-IFMALSPDSA-N 2 1 397.588 3.741 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000519938344 853650729 /nfs/dbraw/zinc/65/07/29/853650729.db2.gz MJEHWDZZIVVYIC-IFMALSPDSA-N 2 1 397.588 3.741 20 0 GHADMP CSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000439484680 853711110 /nfs/dbraw/zinc/71/11/10/853711110.db2.gz FYVOLPIZAQLLTB-LVCYWYKZSA-N 2 1 397.588 3.838 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623888378 862501888 /nfs/dbraw/zinc/50/18/88/862501888.db2.gz DUTXNUXSSXVOHK-LEWJYISDSA-N 2 1 379.589 3.846 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891162 862505385 /nfs/dbraw/zinc/50/53/85/862505385.db2.gz GCFBNZAXNBJKIB-CHWSQXEVSA-N 2 1 391.300 3.615 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)c1 ZINC000520110413 853854027 /nfs/dbraw/zinc/85/40/27/853854027.db2.gz UFFWHLYHBLZQCV-QFIPXVFZSA-N 2 1 397.538 3.806 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000520110413 853854033 /nfs/dbraw/zinc/85/40/33/853854033.db2.gz UFFWHLYHBLZQCV-QFIPXVFZSA-N 2 1 397.538 3.806 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000520110413 853854047 /nfs/dbraw/zinc/85/40/47/853854047.db2.gz UFFWHLYHBLZQCV-QFIPXVFZSA-N 2 1 397.538 3.806 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000073895199 853963338 /nfs/dbraw/zinc/96/33/38/853963338.db2.gz VDFDNVPVEMIVMV-HNNXBMFYSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000073895199 853963345 /nfs/dbraw/zinc/96/33/45/853963345.db2.gz VDFDNVPVEMIVMV-HNNXBMFYSA-N 2 1 375.340 3.538 20 0 GHADMP c1cncc(C[NH+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)c1 ZINC001167993300 854351788 /nfs/dbraw/zinc/35/17/88/854351788.db2.gz NPGKIJACJGJQJO-VSGJHWFKSA-N 2 1 394.607 3.775 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)c1 ZINC001167993300 854351795 /nfs/dbraw/zinc/35/17/95/854351795.db2.gz NPGKIJACJGJQJO-VSGJHWFKSA-N 2 1 394.607 3.775 20 0 GHADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)c1 ZINC001167993300 854351800 /nfs/dbraw/zinc/35/18/00/854351800.db2.gz NPGKIJACJGJQJO-VSGJHWFKSA-N 2 1 394.607 3.775 20 0 GHADMP c1cncc(C[NH+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CC3)c1 ZINC001167993300 854351807 /nfs/dbraw/zinc/35/18/07/854351807.db2.gz NPGKIJACJGJQJO-VSGJHWFKSA-N 3 1 394.607 3.775 20 0 GHADMP c1cncc(C[NH+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)c1 ZINC001167993300 854351814 /nfs/dbraw/zinc/35/18/14/854351814.db2.gz NPGKIJACJGJQJO-VSGJHWFKSA-N 3 1 394.607 3.775 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)c1 ZINC001167993300 854351822 /nfs/dbraw/zinc/35/18/22/854351822.db2.gz NPGKIJACJGJQJO-VSGJHWFKSA-N 3 1 394.607 3.775 20 0 GHADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)c1 ZINC001167993300 854351829 /nfs/dbraw/zinc/35/18/29/854351829.db2.gz NPGKIJACJGJQJO-VSGJHWFKSA-N 3 1 394.607 3.775 20 0 GHADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710188 854368579 /nfs/dbraw/zinc/36/85/79/854368579.db2.gz RCDKZMQIMIXNQB-KDURUIRLSA-N 2 1 387.568 3.570 20 0 GHADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710188 854368583 /nfs/dbraw/zinc/36/85/83/854368583.db2.gz RCDKZMQIMIXNQB-KDURUIRLSA-N 2 1 387.568 3.570 20 0 GHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000588710249 854368612 /nfs/dbraw/zinc/36/86/12/854368612.db2.gz IQBAOBJAQYYQAG-OALUTQOASA-N 2 1 383.536 3.971 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000572126414 854404325 /nfs/dbraw/zinc/40/43/25/854404325.db2.gz DQDRQUMXPDESDR-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000572126414 854404331 /nfs/dbraw/zinc/40/43/31/854404331.db2.gz DQDRQUMXPDESDR-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000572400631 854479487 /nfs/dbraw/zinc/47/94/87/854479487.db2.gz SDKURVSJOXTRFR-UHFFFAOYSA-N 2 1 398.732 3.728 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000073103893 854734321 /nfs/dbraw/zinc/73/43/21/854734321.db2.gz ZCRJJUFRMXZLEO-HSZRJFAPSA-N 2 1 379.548 3.535 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000073103893 854734330 /nfs/dbraw/zinc/73/43/30/854734330.db2.gz ZCRJJUFRMXZLEO-HSZRJFAPSA-N 2 1 379.548 3.535 20 0 GHADMP Cc1cc(F)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001143584996 855103145 /nfs/dbraw/zinc/10/31/45/855103145.db2.gz CRACOFCFJGKTGS-QFIPXVFZSA-N 2 1 383.511 3.785 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000590164255 855305561 /nfs/dbraw/zinc/30/55/61/855305561.db2.gz PPWXWWOFFVWDLQ-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1C ZINC000131689338 855376708 /nfs/dbraw/zinc/37/67/08/855376708.db2.gz QKPJTJOGAXKETB-GOSISDBHSA-N 2 1 399.608 3.826 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001168002026 855547809 /nfs/dbraw/zinc/54/78/09/855547809.db2.gz BXKFYBOACWQBGA-YOFSQIOKSA-N 2 1 377.573 3.725 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000590786571 855587029 /nfs/dbraw/zinc/58/70/29/855587029.db2.gz HRNRDQQXOKQLBJ-UHFFFAOYSA-N 2 1 385.596 3.520 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)CC(C)C ZINC000107934056 855624041 /nfs/dbraw/zinc/62/40/41/855624041.db2.gz TWNPQGKNFGGSDD-QFIPXVFZSA-N 2 1 388.600 3.660 20 0 GHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000573018626 855688699 /nfs/dbraw/zinc/68/86/99/855688699.db2.gz YEYCFLNIJBALNQ-UHFFFAOYSA-N 2 1 398.378 3.808 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046096 855701845 /nfs/dbraw/zinc/70/18/45/855701845.db2.gz OYXAXNPXQMNUBJ-ABAIWWIYSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046096 855701851 /nfs/dbraw/zinc/70/18/51/855701851.db2.gz OYXAXNPXQMNUBJ-ABAIWWIYSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046096 855701853 /nfs/dbraw/zinc/70/18/53/855701853.db2.gz OYXAXNPXQMNUBJ-ABAIWWIYSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046096 855701859 /nfs/dbraw/zinc/70/18/59/855701859.db2.gz OYXAXNPXQMNUBJ-ABAIWWIYSA-N 2 1 390.163 3.984 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)nc(N)[nH+]1 ZINC000045726115 855862653 /nfs/dbraw/zinc/86/26/53/855862653.db2.gz UFXAWVFWESGAGM-UHFFFAOYSA-N 2 1 383.496 3.557 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000172588438 856055880 /nfs/dbraw/zinc/05/58/80/856055880.db2.gz PCCXGCHDWSPUIW-HSZRJFAPSA-N 2 1 391.559 3.877 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573321589 856076911 /nfs/dbraw/zinc/07/69/11/856076911.db2.gz RZCROQLULJUWIG-ONTRVFCTSA-N 2 1 395.950 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573321589 856076917 /nfs/dbraw/zinc/07/69/17/856076917.db2.gz RZCROQLULJUWIG-ONTRVFCTSA-N 2 1 395.950 3.756 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)[C@@H]1c1cccs1 ZINC000905136569 856182065 /nfs/dbraw/zinc/18/20/65/856182065.db2.gz ZNWUUSMWNLLJIS-JBYIUTFZSA-N 2 1 399.560 3.642 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)[C@@H]1c1cccs1 ZINC000905136569 856182070 /nfs/dbraw/zinc/18/20/70/856182070.db2.gz ZNWUUSMWNLLJIS-JBYIUTFZSA-N 2 1 399.560 3.642 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843817 856235655 /nfs/dbraw/zinc/23/56/55/856235655.db2.gz SUDBLAXNBRRUQO-IBGZPJMESA-N 2 1 395.547 3.866 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843817 856235664 /nfs/dbraw/zinc/23/56/64/856235664.db2.gz SUDBLAXNBRRUQO-IBGZPJMESA-N 2 1 395.547 3.866 20 0 GHADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172415951 856429251 /nfs/dbraw/zinc/42/92/51/856429251.db2.gz MHTGZMPFHPDGMA-FQEVSTJZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415951 856429254 /nfs/dbraw/zinc/42/92/54/856429254.db2.gz MHTGZMPFHPDGMA-FQEVSTJZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415951 856429256 /nfs/dbraw/zinc/42/92/56/856429256.db2.gz MHTGZMPFHPDGMA-FQEVSTJZSA-N 2 1 387.543 3.515 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485405326 856464391 /nfs/dbraw/zinc/46/43/91/856464391.db2.gz QLXGMOIFZASBEI-VCOUNFBDSA-N 2 1 395.522 3.821 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485405326 856464396 /nfs/dbraw/zinc/46/43/96/856464396.db2.gz QLXGMOIFZASBEI-VCOUNFBDSA-N 2 1 395.522 3.821 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172527137 856467996 /nfs/dbraw/zinc/46/79/96/856467996.db2.gz QZHQQSLULSHLQA-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP COc1ccccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485475947 856621730 /nfs/dbraw/zinc/62/17/30/856621730.db2.gz GQRSEKVWAUNPFC-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP COc1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485475947 856621740 /nfs/dbraw/zinc/62/17/40/856621740.db2.gz GQRSEKVWAUNPFC-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)Cc2ccccc2C)cc1 ZINC000542887099 856669423 /nfs/dbraw/zinc/66/94/23/856669423.db2.gz WDGONGROYDWSNG-RTBURBONSA-N 2 1 390.531 3.887 20 0 GHADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492322 856899027 /nfs/dbraw/zinc/89/90/27/856899027.db2.gz XTSXIHOXJOTCAQ-RTBURBONSA-N 2 1 397.519 3.730 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000485667810 856901575 /nfs/dbraw/zinc/90/15/75/856901575.db2.gz HLBUNAUVMFYDGN-GOSISDBHSA-N 2 1 383.458 3.984 20 0 GHADMP CC1(C)CC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000063464402 856969746 /nfs/dbraw/zinc/96/97/46/856969746.db2.gz ZLHJVPHJVBVCSG-LJQANCHMSA-N 2 1 386.584 3.507 20 0 GHADMP C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665254168 857022581 /nfs/dbraw/zinc/02/25/81/857022581.db2.gz JECVVYKSDZIQKX-KXHCOYLBSA-N 2 1 381.539 3.771 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465927241 857027642 /nfs/dbraw/zinc/02/76/42/857027642.db2.gz QNVOFIVRICNNGY-NQIIRXRSSA-N 2 1 386.584 3.680 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC000485858927 857160355 /nfs/dbraw/zinc/16/03/55/857160355.db2.gz YVPNGZRACDOFQG-ZRBLBEILSA-N 2 1 383.580 3.634 20 0 GHADMP COc1ccc(-c2cc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)on2)cc1 ZINC000665261584 857290878 /nfs/dbraw/zinc/29/08/78/857290878.db2.gz HGEVCFBNZKUBNT-GGAORHGYSA-N 2 1 391.471 3.696 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1Br ZINC000520881181 857343951 /nfs/dbraw/zinc/34/39/51/857343951.db2.gz FJASEGYVWNZGTF-CQSZACIVSA-N 2 1 378.314 3.635 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000521013172 857499722 /nfs/dbraw/zinc/49/97/22/857499722.db2.gz RIWXERUGAFXRNT-HXUWFJFHSA-N 2 1 399.501 3.900 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000064237191 857687394 /nfs/dbraw/zinc/68/73/94/857687394.db2.gz ZGYVTYQSOHYMLB-ONTIZHBOSA-N 2 1 386.584 3.694 20 0 GHADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000482322520 862944898 /nfs/dbraw/zinc/94/48/98/862944898.db2.gz RLKBDQASXGWLGX-LJQANCHMSA-N 2 1 382.390 3.763 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000065522664 857813314 /nfs/dbraw/zinc/81/33/14/857813314.db2.gz YWKMMBBFZKWMOG-URVUXULASA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000065522664 857813322 /nfs/dbraw/zinc/81/33/22/857813322.db2.gz YWKMMBBFZKWMOG-URVUXULASA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000065522664 857813330 /nfs/dbraw/zinc/81/33/30/857813330.db2.gz YWKMMBBFZKWMOG-URVUXULASA-N 2 1 386.584 3.633 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000605340204 862967464 /nfs/dbraw/zinc/96/74/64/862967464.db2.gz SOJFTFBYNJQGNH-OALUTQOASA-N 2 1 390.572 3.649 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594186276 857991160 /nfs/dbraw/zinc/99/11/60/857991160.db2.gz JFGKYSGVWSWRSJ-RTWAWAEBSA-N 2 1 399.579 3.640 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccsc1 ZINC000067708893 858061409 /nfs/dbraw/zinc/06/14/09/858061409.db2.gz OSGYBXACEGGNQW-FXAWDEMLSA-N 2 1 389.540 3.518 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)ccc2oc1=O ZINC000624205550 862985692 /nfs/dbraw/zinc/98/56/92/862985692.db2.gz HEUJLANHOJHILR-NJYVYQBISA-N 2 1 391.515 3.664 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)ccc2oc1=O ZINC000624205548 862986178 /nfs/dbraw/zinc/98/61/78/862986178.db2.gz HEUJLANHOJHILR-HBMCJLEFSA-N 2 1 391.515 3.664 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1(C)C ZINC000442868132 858185323 /nfs/dbraw/zinc/18/53/23/858185323.db2.gz MXXBHOAPOFNZJL-GOSISDBHSA-N 2 1 398.364 3.655 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2cccc(Br)c21 ZINC000442879439 858201847 /nfs/dbraw/zinc/20/18/47/858201847.db2.gz VZEPYVLGGQIYRD-PBHICJAKSA-N 2 1 380.374 3.613 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OCc1ccccc1 ZINC000442880898 858202700 /nfs/dbraw/zinc/20/27/00/858202700.db2.gz ZOMXSQGDLUWTQS-HXUWFJFHSA-N 2 1 381.564 3.942 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594518207 858207559 /nfs/dbraw/zinc/20/75/59/858207559.db2.gz CKDKYJUOOZSVQL-RSPOEFSDSA-N 2 1 394.600 3.612 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469767756 858489218 /nfs/dbraw/zinc/48/92/18/858489218.db2.gz GCVDQNPSPDRLIV-ZBFHGGJFSA-N 2 1 380.401 3.701 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469767756 858489229 /nfs/dbraw/zinc/48/92/29/858489229.db2.gz GCVDQNPSPDRLIV-ZBFHGGJFSA-N 2 1 380.401 3.701 20 0 GHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463600 858528757 /nfs/dbraw/zinc/52/87/57/858528757.db2.gz XQNQAAXVNJUHQT-HBFSDRIKSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463600 858528763 /nfs/dbraw/zinc/52/87/63/858528763.db2.gz XQNQAAXVNJUHQT-HBFSDRIKSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463600 858528767 /nfs/dbraw/zinc/52/87/67/858528767.db2.gz XQNQAAXVNJUHQT-HBFSDRIKSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463600 858528774 /nfs/dbraw/zinc/52/87/74/858528774.db2.gz XQNQAAXVNJUHQT-HBFSDRIKSA-N 2 1 375.557 3.885 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1C1CCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522084050 858607523 /nfs/dbraw/zinc/60/75/23/858607523.db2.gz NJISNLCXAZQHOV-QHCPKHFHSA-N 2 1 383.580 3.943 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000676616011 858718503 /nfs/dbraw/zinc/71/85/03/858718503.db2.gz HIEINZNEAXJHRH-IBGZPJMESA-N 2 1 398.551 3.607 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000676616011 858718508 /nfs/dbraw/zinc/71/85/08/858718508.db2.gz HIEINZNEAXJHRH-IBGZPJMESA-N 2 1 398.551 3.607 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000116066960 858811976 /nfs/dbraw/zinc/81/19/76/858811976.db2.gz AMSGNYXMICUWMC-YKSBVNFPSA-N 2 1 391.559 3.993 20 0 GHADMP Cn1nc(Br)cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000785466980 858874509 /nfs/dbraw/zinc/87/45/09/858874509.db2.gz SALUZWBQKCWXDJ-UHFFFAOYSA-N 2 1 391.357 3.848 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)CCCC2)CC1 ZINC000499685863 858896460 /nfs/dbraw/zinc/89/64/60/858896460.db2.gz QZUOXOCRNWGCRT-IFMALSPDSA-N 2 1 385.596 3.663 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509277077 858920488 /nfs/dbraw/zinc/92/04/88/858920488.db2.gz RJPRIFNLCXCHSI-UHFFFAOYSA-N 2 1 386.628 3.643 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(OC4CC4)c3F)C2)ccn1 ZINC000856547525 881360261 /nfs/dbraw/zinc/36/02/61/881360261.db2.gz AJPZFWOSJYNPBN-NRFANRHFSA-N 2 1 399.510 3.867 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(OC4CC4)c3F)C2)ccn1 ZINC000856547525 881360281 /nfs/dbraw/zinc/36/02/81/881360281.db2.gz AJPZFWOSJYNPBN-NRFANRHFSA-N 2 1 399.510 3.867 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(OC4CC4)c3F)C2)ccn1 ZINC000856547525 881360300 /nfs/dbraw/zinc/36/03/00/881360300.db2.gz AJPZFWOSJYNPBN-NRFANRHFSA-N 2 1 399.510 3.867 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)ccn1 ZINC000856547525 881360321 /nfs/dbraw/zinc/36/03/21/881360321.db2.gz AJPZFWOSJYNPBN-NRFANRHFSA-N 2 1 399.510 3.867 20 0 GHADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482874473 858933529 /nfs/dbraw/zinc/93/35/29/858933529.db2.gz ZEYJAZZOLDUIMP-NRFANRHFSA-N 2 1 399.604 3.873 20 0 GHADMP OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000923007899 858934015 /nfs/dbraw/zinc/93/40/15/858934015.db2.gz WGXDRGQIHTXITL-SMIHKQSGSA-N 2 1 376.544 3.866 20 0 GHADMP OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000923007899 858934023 /nfs/dbraw/zinc/93/40/23/858934023.db2.gz WGXDRGQIHTXITL-SMIHKQSGSA-N 2 1 376.544 3.866 20 0 GHADMP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)CC2 ZINC000479355077 858980456 /nfs/dbraw/zinc/98/04/56/858980456.db2.gz GHJWBKOWJGLSNO-VGOFRKELSA-N 2 1 396.531 3.702 20 0 GHADMP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)CC2 ZINC000479355077 858980465 /nfs/dbraw/zinc/98/04/65/858980465.db2.gz GHJWBKOWJGLSNO-VGOFRKELSA-N 2 1 396.531 3.702 20 0 GHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765976302 858983241 /nfs/dbraw/zinc/98/32/41/858983241.db2.gz MQMLLPKWFYDUBP-KXBFYZLASA-N 2 1 386.565 3.808 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCSCc3ccccc3)C2)ccn1 ZINC000856550957 881370801 /nfs/dbraw/zinc/37/08/01/881370801.db2.gz ILCUYTDLXOPTAM-JOCHJYFZSA-N 2 1 385.577 3.920 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCSCc3ccccc3)C2)ccn1 ZINC000856550957 881370820 /nfs/dbraw/zinc/37/08/20/881370820.db2.gz ILCUYTDLXOPTAM-JOCHJYFZSA-N 2 1 385.577 3.920 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCSCc3ccccc3)C2)ccn1 ZINC000856550957 881370839 /nfs/dbraw/zinc/37/08/39/881370839.db2.gz ILCUYTDLXOPTAM-JOCHJYFZSA-N 2 1 385.577 3.920 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(CC(C)C)s3)C2)ccn1 ZINC000856552898 881380371 /nfs/dbraw/zinc/38/03/71/881380371.db2.gz RMUCOKSUSWBKIT-LJQANCHMSA-N 2 1 388.581 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(CC(C)C)s3)C2)ccn1 ZINC000856552898 881380391 /nfs/dbraw/zinc/38/03/91/881380391.db2.gz RMUCOKSUSWBKIT-LJQANCHMSA-N 2 1 388.581 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(CC(C)C)s3)C2)ccn1 ZINC000856552898 881380413 /nfs/dbraw/zinc/38/04/13/881380413.db2.gz RMUCOKSUSWBKIT-LJQANCHMSA-N 2 1 388.581 3.842 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661030 859113376 /nfs/dbraw/zinc/11/33/76/859113376.db2.gz LEWRRCHCLZLYFM-UPOGNTLWSA-N 2 1 387.612 3.703 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661030 859113381 /nfs/dbraw/zinc/11/33/81/859113381.db2.gz LEWRRCHCLZLYFM-UPOGNTLWSA-N 2 1 387.612 3.703 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712217 859119170 /nfs/dbraw/zinc/11/91/70/859119170.db2.gz OWUUFBVZBIKARG-CABCVRRESA-N 2 1 394.357 3.630 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712217 859119167 /nfs/dbraw/zinc/11/91/67/859119167.db2.gz OWUUFBVZBIKARG-CABCVRRESA-N 2 1 394.357 3.630 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000185747481 859124949 /nfs/dbraw/zinc/12/49/49/859124949.db2.gz OJWSJGNJNYVXRH-GWJPWWOOSA-N 2 1 389.559 3.882 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000185747481 859124961 /nfs/dbraw/zinc/12/49/61/859124961.db2.gz OJWSJGNJNYVXRH-GWJPWWOOSA-N 2 1 389.559 3.882 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)[C@@H](C)C1 ZINC000483164786 859199110 /nfs/dbraw/zinc/19/91/10/859199110.db2.gz AXGDJYODYOKEHC-NNWRFLSQSA-N 2 1 391.575 3.830 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CC2CC2)CC2CCC2)CC1 ZINC000483261051 859254530 /nfs/dbraw/zinc/25/45/30/859254530.db2.gz KZIWSWZEXFGJJW-UHFFFAOYSA-N 2 1 383.580 3.588 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(Br)o3)CC2)CC1 ZINC000483271102 859260879 /nfs/dbraw/zinc/26/08/79/859260879.db2.gz WZOWDATYDAUYSW-UHFFFAOYSA-N 2 1 398.389 3.670 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000466731071 859367023 /nfs/dbraw/zinc/36/70/23/859367023.db2.gz KBDUOOPPZMVARJ-SFHVURJKSA-N 2 1 386.540 3.929 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485113 859407833 /nfs/dbraw/zinc/40/78/33/859407833.db2.gz YZBMBILMQIYESD-CQOQZXRMSA-N 2 1 383.580 3.840 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501123 859414177 /nfs/dbraw/zinc/41/41/77/859414177.db2.gz DTUXZSYVESEGGB-PTRHGPIFSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501123 859414180 /nfs/dbraw/zinc/41/41/80/859414180.db2.gz DTUXZSYVESEGGB-PTRHGPIFSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501123 859414187 /nfs/dbraw/zinc/41/41/87/859414187.db2.gz DTUXZSYVESEGGB-PTRHGPIFSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501123 859414193 /nfs/dbraw/zinc/41/41/93/859414193.db2.gz DTUXZSYVESEGGB-PTRHGPIFSA-N 2 1 383.580 3.547 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000856558508 881424796 /nfs/dbraw/zinc/42/47/96/881424796.db2.gz INRANRVACIIWIG-SFHVURJKSA-N 2 1 386.565 3.520 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000856558508 881424800 /nfs/dbraw/zinc/42/48/00/881424800.db2.gz INRANRVACIIWIG-SFHVURJKSA-N 2 1 386.565 3.520 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000856558508 881424807 /nfs/dbraw/zinc/42/48/07/881424807.db2.gz INRANRVACIIWIG-SFHVURJKSA-N 2 1 386.565 3.520 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000856558508 881424811 /nfs/dbraw/zinc/42/48/11/881424811.db2.gz INRANRVACIIWIG-SFHVURJKSA-N 2 1 386.565 3.520 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000626062189 859436927 /nfs/dbraw/zinc/43/69/27/859436927.db2.gz KVJNGNPCSARWGS-XMSQKQJNSA-N 2 1 395.547 3.599 20 0 GHADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000764467309 859458688 /nfs/dbraw/zinc/45/86/88/859458688.db2.gz VERYZIFXTMHMFC-PMACEKPBSA-N 2 1 385.577 3.712 20 0 GHADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000764467311 859458929 /nfs/dbraw/zinc/45/89/29/859458929.db2.gz VERYZIFXTMHMFC-UXHICEINSA-N 2 1 385.577 3.712 20 0 GHADMP Cc1nn(-c2ccncc2)cc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000543393459 859546662 /nfs/dbraw/zinc/54/66/62/859546662.db2.gz FQUCYVAGCNKFKO-QFIPXVFZSA-N 2 1 380.467 3.896 20 0 GHADMP COCc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856559371 881438403 /nfs/dbraw/zinc/43/84/03/881438403.db2.gz GFLMZPSBINGDHO-QHCPKHFHSA-N 2 1 383.536 3.722 20 0 GHADMP COCc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856559371 881438408 /nfs/dbraw/zinc/43/84/08/881438408.db2.gz GFLMZPSBINGDHO-QHCPKHFHSA-N 2 1 383.536 3.722 20 0 GHADMP COCc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856559371 881438417 /nfs/dbraw/zinc/43/84/17/881438417.db2.gz GFLMZPSBINGDHO-QHCPKHFHSA-N 2 1 383.536 3.722 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000466501841 859759330 /nfs/dbraw/zinc/75/93/30/859759330.db2.gz GIAWLRSNKRONHR-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607787 859858474 /nfs/dbraw/zinc/85/84/74/859858474.db2.gz YIIJEVAQOMHYNC-DOTOQJQBSA-N 2 1 395.473 3.802 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607787 859858481 /nfs/dbraw/zinc/85/84/81/859858481.db2.gz YIIJEVAQOMHYNC-DOTOQJQBSA-N 2 1 395.473 3.802 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607787 859858491 /nfs/dbraw/zinc/85/84/91/859858491.db2.gz YIIJEVAQOMHYNC-DOTOQJQBSA-N 2 1 395.473 3.802 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)s2)cc1 ZINC000922389441 859874709 /nfs/dbraw/zinc/87/47/09/859874709.db2.gz VPVWOJLGENNEIN-NXLVEIQXSA-N 2 1 385.577 3.688 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccco1 ZINC000522430513 859882616 /nfs/dbraw/zinc/88/26/16/859882616.db2.gz BLARNECDUMXKEV-HLAWJBBLSA-N 2 1 398.551 3.797 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000484308948 859935648 /nfs/dbraw/zinc/93/56/48/859935648.db2.gz JQVGJIVQUGXQJI-UHFFFAOYSA-N 2 1 380.536 3.584 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000484308948 859935661 /nfs/dbraw/zinc/93/56/61/859935661.db2.gz JQVGJIVQUGXQJI-UHFFFAOYSA-N 2 1 380.536 3.584 20 0 GHADMP c1nc([C@@H]2CCCO2)sc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791867 859946061 /nfs/dbraw/zinc/94/60/61/859946061.db2.gz HJCXNHNRSXWISS-ZVDOUQERSA-N 2 1 383.561 3.949 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428864842 860056684 /nfs/dbraw/zinc/05/66/84/860056684.db2.gz DOZHDCSZWAJTLL-GOSISDBHSA-N 2 1 385.508 3.682 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428864842 860056694 /nfs/dbraw/zinc/05/66/94/860056694.db2.gz DOZHDCSZWAJTLL-GOSISDBHSA-N 2 1 385.508 3.682 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000484511872 860062117 /nfs/dbraw/zinc/06/21/17/860062117.db2.gz QBEWLTMIGZWGHO-PTUXOGIPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000484511872 860062120 /nfs/dbraw/zinc/06/21/20/860062120.db2.gz QBEWLTMIGZWGHO-PTUXOGIPSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000727469906 860106445 /nfs/dbraw/zinc/10/64/45/860106445.db2.gz OPMLSBNRGWOYCH-MSOLQXFVSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000727469906 860106446 /nfs/dbraw/zinc/10/64/46/860106446.db2.gz OPMLSBNRGWOYCH-MSOLQXFVSA-N 2 1 393.597 3.949 20 0 GHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000474480819 860169827 /nfs/dbraw/zinc/16/98/27/860169827.db2.gz VUQQALXYGNAMOP-RBUKOAKNSA-N 2 1 398.547 3.818 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000471763487 860196272 /nfs/dbraw/zinc/19/62/72/860196272.db2.gz WPDCMIBBUZIMAC-IBGZPJMESA-N 2 1 385.309 3.694 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccnn1-c1ccccc1 ZINC000281580568 860221608 /nfs/dbraw/zinc/22/16/08/860221608.db2.gz LBRUMEXSQIAVGN-WMZHIEFXSA-N 2 1 390.531 3.680 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718663 860286504 /nfs/dbraw/zinc/28/65/04/860286504.db2.gz IIFJFJFKWSBWRV-JYAXBFRTSA-N 2 1 398.551 3.844 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000522448202 860309465 /nfs/dbraw/zinc/30/94/65/860309465.db2.gz SUYBXRKYFXFJTO-OAQYLSRUSA-N 2 1 375.532 3.765 20 0 GHADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000093713278 860336055 /nfs/dbraw/zinc/33/60/55/860336055.db2.gz SUPFZYCHWPIOGZ-HHHXNRCGSA-N 2 1 386.561 3.531 20 0 GHADMP CCCCn1nc(C)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Cl ZINC000904472918 860465410 /nfs/dbraw/zinc/46/54/10/860465410.db2.gz GQOOKIWKZRUFCQ-NQIIRXRSSA-N 2 1 388.943 3.991 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904583243 860509562 /nfs/dbraw/zinc/50/95/62/860509562.db2.gz JVQGQQIQPPOBNH-LJQANCHMSA-N 2 1 380.536 3.866 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904583240 860509693 /nfs/dbraw/zinc/50/96/93/860509693.db2.gz JVQGQQIQPPOBNH-IBGZPJMESA-N 2 1 380.536 3.866 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(F)c3Cl)C2)ccn1 ZINC000856584804 881553635 /nfs/dbraw/zinc/55/36/35/881553635.db2.gz RRNIZGHBDGSJLN-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(F)c3Cl)C2)ccn1 ZINC000856584804 881553654 /nfs/dbraw/zinc/55/36/54/881553654.db2.gz RRNIZGHBDGSJLN-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(F)c3Cl)C2)ccn1 ZINC000856584804 881553671 /nfs/dbraw/zinc/55/36/71/881553671.db2.gz RRNIZGHBDGSJLN-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C2)ccn1 ZINC000856584804 881553690 /nfs/dbraw/zinc/55/36/90/881553690.db2.gz RRNIZGHBDGSJLN-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000509029700 860614978 /nfs/dbraw/zinc/61/49/78/860614978.db2.gz GORUMZCRZGNBNS-PWIZWCRZSA-N 2 1 394.991 3.847 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000509029700 860614985 /nfs/dbraw/zinc/61/49/85/860614985.db2.gz GORUMZCRZGNBNS-PWIZWCRZSA-N 2 1 394.991 3.847 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000509029700 860614990 /nfs/dbraw/zinc/61/49/90/860614990.db2.gz GORUMZCRZGNBNS-PWIZWCRZSA-N 2 1 394.991 3.847 20 0 GHADMP CC(C)[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000474721718 860677805 /nfs/dbraw/zinc/67/78/05/860677805.db2.gz VBIMFSJBKRRCEV-ZEQRLZLVSA-N 2 1 393.575 3.913 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598099 881571304 /nfs/dbraw/zinc/57/13/04/881571304.db2.gz GDFQUIYTJXPPNP-QFIPXVFZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598099 881571313 /nfs/dbraw/zinc/57/13/13/881571313.db2.gz GDFQUIYTJXPPNP-QFIPXVFZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598099 881571322 /nfs/dbraw/zinc/57/13/22/881571322.db2.gz GDFQUIYTJXPPNP-QFIPXVFZSA-N 2 1 387.499 3.593 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247790068 860757373 /nfs/dbraw/zinc/75/73/73/860757373.db2.gz YZSYVUIAFYSIGS-CPUCHLNUSA-N 2 1 396.413 3.692 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247790068 860757377 /nfs/dbraw/zinc/75/73/77/860757377.db2.gz YZSYVUIAFYSIGS-CPUCHLNUSA-N 2 1 396.413 3.692 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000623342770 860890632 /nfs/dbraw/zinc/89/06/32/860890632.db2.gz NKDJICCFNTYCSX-MOPGFXCFSA-N 2 1 392.613 3.552 20 0 GHADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000102935468 860908102 /nfs/dbraw/zinc/90/81/02/860908102.db2.gz YVLDOGNTMUHWHD-FUHWJXTLSA-N 2 1 397.567 3.528 20 0 GHADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000102935468 860908110 /nfs/dbraw/zinc/90/81/10/860908110.db2.gz YVLDOGNTMUHWHD-FUHWJXTLSA-N 2 1 397.567 3.528 20 0 GHADMP Fc1ccc(Oc2nc3ccccn3c2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000623356445 860916534 /nfs/dbraw/zinc/91/65/34/860916534.db2.gz PWLWVLOZYNMELA-MRXNPFEDSA-N 2 1 380.467 3.840 20 0 GHADMP Fc1ccc(Oc2nc3ccccn3c2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000623356445 860916545 /nfs/dbraw/zinc/91/65/45/860916545.db2.gz PWLWVLOZYNMELA-MRXNPFEDSA-N 2 1 380.467 3.840 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3N(C)C)c2)CCO1 ZINC000623376244 860947783 /nfs/dbraw/zinc/94/77/83/860947783.db2.gz LSVRMBGMBGBFCE-INIZCTEOSA-N 2 1 389.490 3.541 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3N(C)C)c2)CCO1 ZINC000623376244 860947791 /nfs/dbraw/zinc/94/77/91/860947791.db2.gz LSVRMBGMBGBFCE-INIZCTEOSA-N 2 1 389.490 3.541 20 0 GHADMP CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000179176030 861106341 /nfs/dbraw/zinc/10/63/41/861106341.db2.gz VDOMJSIYMSFEHW-GOSISDBHSA-N 2 1 385.577 3.739 20 0 GHADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OCc2cccnc2)c1 ZINC000444004341 863130095 /nfs/dbraw/zinc/13/00/95/863130095.db2.gz QYCKDUFYICUCGZ-SEJPIABJSA-N 2 1 381.520 3.774 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000482474866 863183579 /nfs/dbraw/zinc/18/35/79/863183579.db2.gz GHXPEASTFZKMLC-XMMPIXPASA-N 2 1 391.559 3.923 20 0 GHADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000482555667 863322064 /nfs/dbraw/zinc/32/20/64/863322064.db2.gz MLVOPZHRLNMXRG-XMMPIXPASA-N 2 1 399.554 3.735 20 0 GHADMP Brc1ccc2c(c1)C=C(C[NH2+]C1CC[NH+](CC3CC3)CC1)CO2 ZINC000171050226 863350178 /nfs/dbraw/zinc/35/01/78/863350178.db2.gz TUAOMPRNWGQZEF-UHFFFAOYSA-N 2 1 377.326 3.689 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000183158504 863491552 /nfs/dbraw/zinc/49/15/52/863491552.db2.gz YYGPQXLVZOPSLK-OAHLLOKOSA-N 2 1 382.895 3.801 20 0 GHADMP Fc1cc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2c(c1)COCO2 ZINC000120679895 881668657 /nfs/dbraw/zinc/66/86/57/881668657.db2.gz CWKKERIXHRDTDC-UHFFFAOYSA-N 2 1 384.495 3.531 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528401 863536945 /nfs/dbraw/zinc/53/69/45/863536945.db2.gz DHKJIHZROGCMCF-FQEVSTJZSA-N 2 1 392.632 3.985 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000606635468 863726176 /nfs/dbraw/zinc/72/61/76/863726176.db2.gz HVPPNCKPBMPMMS-RBUKOAKNSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CCCCC2)cc1 ZINC000856733820 881700108 /nfs/dbraw/zinc/70/01/08/881700108.db2.gz IRQZVJADGKOEBD-MRXNPFEDSA-N 2 1 375.538 3.579 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](CC)C1)c1ccc(Cl)cc1 ZINC000554249790 863999646 /nfs/dbraw/zinc/99/96/46/863999646.db2.gz LIEZNPJGKSWWIP-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000554249790 863999660 /nfs/dbraw/zinc/99/96/60/863999660.db2.gz LIEZNPJGKSWWIP-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000554249790 863999669 /nfs/dbraw/zinc/99/96/69/863999669.db2.gz LIEZNPJGKSWWIP-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000103511560 864046032 /nfs/dbraw/zinc/04/60/32/864046032.db2.gz MHONHNLJMYTAPJ-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667621072 864059928 /nfs/dbraw/zinc/05/99/28/864059928.db2.gz ZDSLPUBMJLIRFM-VWNXMTODSA-N 2 1 380.532 3.808 20 0 GHADMP C[NH+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667621072 864059941 /nfs/dbraw/zinc/05/99/41/864059941.db2.gz ZDSLPUBMJLIRFM-VWNXMTODSA-N 2 1 380.532 3.808 20 0 GHADMP C[NH+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667621072 864059961 /nfs/dbraw/zinc/05/99/61/864059961.db2.gz ZDSLPUBMJLIRFM-VWNXMTODSA-N 2 1 380.532 3.808 20 0 GHADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)CSCC2 ZINC000898517057 864074025 /nfs/dbraw/zinc/07/40/25/864074025.db2.gz HVEYLSRVSRJUFZ-HSALFYBXSA-N 2 1 396.604 3.600 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000898522853 864090530 /nfs/dbraw/zinc/09/05/30/864090530.db2.gz TURLPVLQYMOOBS-BHIFYINESA-N 2 1 389.547 3.667 20 0 GHADMP C[C@@H]1CC([N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056232 864136880 /nfs/dbraw/zinc/13/68/80/864136880.db2.gz DREMYEYNNFTXFA-KCZVDYSFSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1CC([N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056232 864136885 /nfs/dbraw/zinc/13/68/85/864136885.db2.gz DREMYEYNNFTXFA-KCZVDYSFSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000607283683 864242273 /nfs/dbraw/zinc/24/22/73/864242273.db2.gz DFCYVOPODOTTMQ-FUPPJEDESA-N 2 1 385.596 3.915 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000607283683 864242285 /nfs/dbraw/zinc/24/22/85/864242285.db2.gz DFCYVOPODOTTMQ-FUPPJEDESA-N 2 1 385.596 3.915 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000607283683 864242312 /nfs/dbraw/zinc/24/23/12/864242312.db2.gz DFCYVOPODOTTMQ-FUPPJEDESA-N 2 1 385.596 3.915 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621660510 864336817 /nfs/dbraw/zinc/33/68/17/864336817.db2.gz MHCZCWDNNSHGDM-JJXUHFIVSA-N 2 1 395.950 3.899 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621660510 864336829 /nfs/dbraw/zinc/33/68/29/864336829.db2.gz MHCZCWDNNSHGDM-JJXUHFIVSA-N 2 1 395.950 3.899 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000494463616 881753408 /nfs/dbraw/zinc/75/34/08/881753408.db2.gz LQIKMVXNLQOYDC-UHFFFAOYSA-N 2 1 397.954 3.658 20 0 GHADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000621771286 864416166 /nfs/dbraw/zinc/41/61/66/864416166.db2.gz AQLWZFFUNIXWBF-WIYYLYMNSA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000621771284 864416673 /nfs/dbraw/zinc/41/66/73/864416673.db2.gz AQLWZFFUNIXWBF-NQIIRXRSSA-N 2 1 398.547 3.898 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000120818659 881770479 /nfs/dbraw/zinc/77/04/79/881770479.db2.gz VMXHMUUOSQGLIW-NRFANRHFSA-N 3 1 386.628 3.675 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000120818659 881770487 /nfs/dbraw/zinc/77/04/87/881770487.db2.gz VMXHMUUOSQGLIW-NRFANRHFSA-N 2 1 386.628 3.675 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000120818659 881770495 /nfs/dbraw/zinc/77/04/95/881770495.db2.gz VMXHMUUOSQGLIW-NRFANRHFSA-N 2 1 386.628 3.675 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000163629514 864543793 /nfs/dbraw/zinc/54/37/93/864543793.db2.gz OMEIBDKENRHHRK-OAQYLSRUSA-N 2 1 386.561 3.970 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1)C1CCOCC1 ZINC000163970954 864582353 /nfs/dbraw/zinc/58/23/53/864582353.db2.gz RUSRZAIAUBEWPF-NRFANRHFSA-N 2 1 390.568 3.612 20 0 GHADMP FC(F)Oc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000475222582 864598542 /nfs/dbraw/zinc/59/85/42/864598542.db2.gz BLCBHOMVPWGYHW-MRXNPFEDSA-N 2 1 390.430 3.628 20 0 GHADMP FC(F)Oc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000475222582 864598547 /nfs/dbraw/zinc/59/85/47/864598547.db2.gz BLCBHOMVPWGYHW-MRXNPFEDSA-N 2 1 390.430 3.628 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000621981269 864656737 /nfs/dbraw/zinc/65/67/37/864656737.db2.gz KAUZALXVGHJTBB-RLLQIKCJSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1cccs1 ZINC000621981269 864656741 /nfs/dbraw/zinc/65/67/41/864656741.db2.gz KAUZALXVGHJTBB-RLLQIKCJSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1cccs1 ZINC000621981269 864656743 /nfs/dbraw/zinc/65/67/43/864656743.db2.gz KAUZALXVGHJTBB-RLLQIKCJSA-N 2 1 383.561 3.664 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)c1 ZINC000182570426 864696230 /nfs/dbraw/zinc/69/62/30/864696230.db2.gz SMCTVVOOCVOCOF-WIYYLYMNSA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182570426 864696238 /nfs/dbraw/zinc/69/62/38/864696238.db2.gz SMCTVVOOCVOCOF-WIYYLYMNSA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182570426 864696246 /nfs/dbraw/zinc/69/62/46/864696246.db2.gz SMCTVVOOCVOCOF-WIYYLYMNSA-N 2 1 386.584 3.591 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cc(Br)ccc2o1 ZINC000667707171 864947910 /nfs/dbraw/zinc/94/79/10/864947910.db2.gz RUKLDUSXQVNTMI-SUMDDJOVSA-N 2 1 393.325 3.879 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cc(Br)ccc2o1 ZINC000667707171 864947919 /nfs/dbraw/zinc/94/79/19/864947919.db2.gz RUKLDUSXQVNTMI-SUMDDJOVSA-N 2 1 393.325 3.879 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063565185 864957837 /nfs/dbraw/zinc/95/78/37/864957837.db2.gz XXCSCWAMNHUHFG-OAQYLSRUSA-N 2 1 388.625 3.511 20 0 GHADMP CCOC(=O)N1CCC([N@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168063954 864979928 /nfs/dbraw/zinc/97/99/28/864979928.db2.gz OQGHNXJNFTXJMP-RTBURBONSA-N 2 1 387.568 3.981 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](C)C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168063954 864979933 /nfs/dbraw/zinc/97/99/33/864979933.db2.gz OQGHNXJNFTXJMP-RTBURBONSA-N 2 1 387.568 3.981 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000622458774 865009147 /nfs/dbraw/zinc/00/91/47/865009147.db2.gz YEAXBBGQSGXKJQ-JOCHJYFZSA-N 2 1 375.601 3.898 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4OC)cc2)CC1 ZINC000480716077 865156197 /nfs/dbraw/zinc/15/61/97/865156197.db2.gz WRXWKZFCUARNLG-HSZRJFAPSA-N 2 1 379.548 3.610 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000480780199 865252602 /nfs/dbraw/zinc/25/26/02/865252602.db2.gz MUENGDORXWHYJV-CYFREDJKSA-N 2 1 379.548 3.746 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000171454596 865256840 /nfs/dbraw/zinc/25/68/40/865256840.db2.gz PPAMQJAVVMEPGT-HSZRJFAPSA-N 2 1 377.532 3.629 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000622751410 865257806 /nfs/dbraw/zinc/25/78/06/865257806.db2.gz FMJLNJSADCCJGK-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(F)c3cccnc23)c2cccs2)CC1 ZINC000532347881 881857483 /nfs/dbraw/zinc/85/74/83/881857483.db2.gz OPKFZXZTDOYCLA-IBGZPJMESA-N 2 1 384.524 3.514 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301376809 865321779 /nfs/dbraw/zinc/32/17/79/865321779.db2.gz WRIQJJQSDZWGOF-UHFFFAOYSA-N 2 1 384.430 3.862 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000301519422 865399952 /nfs/dbraw/zinc/39/99/52/865399952.db2.gz KSIHMBWBQUHDGP-UHFFFAOYSA-N 2 1 390.325 3.546 20 0 GHADMP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301521455 865400019 /nfs/dbraw/zinc/40/00/19/865400019.db2.gz GXTDSBSVHNDXQV-UHFFFAOYSA-N 2 1 392.341 3.934 20 0 GHADMP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301555457 865422353 /nfs/dbraw/zinc/42/23/53/865422353.db2.gz SBQWSUKSTXPHOX-HNNXBMFYSA-N 2 1 378.314 3.502 20 0 GHADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480909352 865488733 /nfs/dbraw/zinc/48/87/33/865488733.db2.gz OWBIWQHTKOGSLJ-VXKWHMMOSA-N 2 1 387.568 3.652 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000480915817 865502780 /nfs/dbraw/zinc/50/27/80/865502780.db2.gz YDNZVOZVAXRUFD-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CCN(c3c(C)c(C)[nH+]c4ccccc43)CC2)CC1 ZINC000302098187 865710918 /nfs/dbraw/zinc/71/09/18/865710918.db2.gz TVOHWCMOCDBLLG-UHFFFAOYSA-N 2 1 394.563 3.622 20 0 GHADMP COCCN1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000555225775 865742717 /nfs/dbraw/zinc/74/27/17/865742717.db2.gz LUNKGXVGTOROGI-SKKQBHQSSA-N 2 1 391.987 3.564 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481178691 865936421 /nfs/dbraw/zinc/93/64/21/865936421.db2.gz SVVQLGWKSZRTJK-XMSQKQJNSA-N 2 1 381.520 3.524 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000623044288 865967179 /nfs/dbraw/zinc/96/71/79/865967179.db2.gz AXERBAUBYSSVSN-UHFFFAOYSA-N 2 1 394.563 3.658 20 0 GHADMP FC(F)CN1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000623089404 866009300 /nfs/dbraw/zinc/00/93/00/866009300.db2.gz GFIQCOATSSNYBD-HXUWFJFHSA-N 2 1 377.523 3.750 20 0 GHADMP FC(F)CN1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000623089404 866009314 /nfs/dbraw/zinc/00/93/14/866009314.db2.gz GFIQCOATSSNYBD-HXUWFJFHSA-N 2 1 377.523 3.750 20 0 GHADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)C2 ZINC000476558336 881956488 /nfs/dbraw/zinc/95/64/88/881956488.db2.gz GSLZTMMDULDHJF-QGZVFWFLSA-N 2 1 380.536 3.913 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000478565489 866266180 /nfs/dbraw/zinc/26/61/80/866266180.db2.gz NJZRCNDYBSSBFP-MATXCTFWSA-N 2 1 395.950 3.849 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000478565489 866266197 /nfs/dbraw/zinc/26/61/97/866266197.db2.gz NJZRCNDYBSSBFP-MATXCTFWSA-N 2 1 395.950 3.849 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000478565489 866266216 /nfs/dbraw/zinc/26/62/16/866266216.db2.gz NJZRCNDYBSSBFP-MATXCTFWSA-N 2 1 395.950 3.849 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[NH+]2CCCC2)o1 ZINC000857098526 882013212 /nfs/dbraw/zinc/01/32/12/882013212.db2.gz DSGCGAJOTDFGKM-FCHUYYIVSA-N 2 1 395.547 3.964 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000523203073 866854644 /nfs/dbraw/zinc/85/46/44/866854644.db2.gz JMLJDXHEUQHCPU-SVFBPWRDSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000523203073 866854661 /nfs/dbraw/zinc/85/46/61/866854661.db2.gz JMLJDXHEUQHCPU-SVFBPWRDSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000523203073 866854678 /nfs/dbraw/zinc/85/46/78/866854678.db2.gz JMLJDXHEUQHCPU-SVFBPWRDSA-N 2 1 386.584 3.632 20 0 GHADMP CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000553169949 866895937 /nfs/dbraw/zinc/89/59/37/866895937.db2.gz JBNZWPVDHQJVFW-UPVQGACJSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000444582914 866927490 /nfs/dbraw/zinc/92/74/90/866927490.db2.gz LFXKTLLRWLKQFR-UWJYYQICSA-N 2 1 383.540 3.661 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000153906537 867148167 /nfs/dbraw/zinc/14/81/67/867148167.db2.gz IGUSOKJTSVRFLN-SFTDATJTSA-N 2 1 381.564 3.709 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000523469695 867354552 /nfs/dbraw/zinc/35/45/52/867354552.db2.gz DGTWBBJEAOSDNY-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000523469695 867354568 /nfs/dbraw/zinc/35/45/68/867354568.db2.gz DGTWBBJEAOSDNY-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000523469695 867354584 /nfs/dbraw/zinc/35/45/84/867354584.db2.gz DGTWBBJEAOSDNY-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000121332424 882078432 /nfs/dbraw/zinc/07/84/32/882078432.db2.gz NXFLBGSGSWBBGI-ZWKOTPCHSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000121332424 882078444 /nfs/dbraw/zinc/07/84/44/882078444.db2.gz NXFLBGSGSWBBGI-ZWKOTPCHSA-N 2 1 383.540 3.805 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534794050 867504759 /nfs/dbraw/zinc/50/47/59/867504759.db2.gz TYSXMEBOPIXWHD-KRWDZBQOSA-N 2 1 387.749 3.526 20 0 GHADMP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000154682572 867546552 /nfs/dbraw/zinc/54/65/52/867546552.db2.gz LHDVZHQEOTXZHE-IBGZPJMESA-N 2 1 390.572 3.569 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(SC)ccc1Cl ZINC000667469281 867551064 /nfs/dbraw/zinc/55/10/64/867551064.db2.gz RRJRNUGJPFLARG-HNNXBMFYSA-N 2 1 399.004 3.942 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000523598770 867628052 /nfs/dbraw/zinc/62/80/52/867628052.db2.gz CKTGBYGJNFSBHU-FRIKZZABSA-N 2 1 398.595 3.746 20 0 GHADMP FC(F)(F)COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000154959210 867682381 /nfs/dbraw/zinc/68/23/81/867682381.db2.gz FHTJCRFDXVEVTF-UHFFFAOYSA-N 2 1 393.453 3.819 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523638050 867705391 /nfs/dbraw/zinc/70/53/91/867705391.db2.gz XKYXBHBFZDHVSH-OAQYLSRUSA-N 2 1 383.561 3.797 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523638050 867705404 /nfs/dbraw/zinc/70/54/04/867705404.db2.gz XKYXBHBFZDHVSH-OAQYLSRUSA-N 2 1 383.561 3.797 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)oc1C ZINC000534968703 867842618 /nfs/dbraw/zinc/84/26/18/867842618.db2.gz VHKNPVWLQLDLFS-UHFFFAOYSA-N 2 1 382.504 3.863 20 0 GHADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+]1CCCC1 ZINC000465568487 868050293 /nfs/dbraw/zinc/05/02/93/868050293.db2.gz DNAIWNOVHFUMGC-HKBOAZHASA-N 2 1 378.605 3.544 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553777004 868182016 /nfs/dbraw/zinc/18/20/16/868182016.db2.gz SMVRRHAQCDHFQL-LMNJBCLMSA-N 2 1 384.568 3.578 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000457649409 868574357 /nfs/dbraw/zinc/57/43/57/868574357.db2.gz LNEJMPWAAVGLLE-RDPSFJRHSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000457649409 868574364 /nfs/dbraw/zinc/57/43/64/868574364.db2.gz LNEJMPWAAVGLLE-RDPSFJRHSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000457649409 868574370 /nfs/dbraw/zinc/57/43/70/868574370.db2.gz LNEJMPWAAVGLLE-RDPSFJRHSA-N 2 1 398.595 3.688 20 0 GHADMP COc1cc2c(cc1F)nccc2NCc1ccccc1CN1CCOCC1 ZINC000479906392 868711090 /nfs/dbraw/zinc/71/10/90/868711090.db2.gz VLNPRWWPYQTFEM-UHFFFAOYSA-N 2 1 381.451 3.827 20 0 GHADMP COc1cc2c(NCc3ccccc3C[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000479906392 868711100 /nfs/dbraw/zinc/71/11/00/868711100.db2.gz VLNPRWWPYQTFEM-UHFFFAOYSA-N 2 1 381.451 3.827 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000572588961 868721042 /nfs/dbraw/zinc/72/10/42/868721042.db2.gz YNNCUBUXBKXKGS-RPWUZVMVSA-N 2 1 396.575 3.935 20 0 GHADMP O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000554088632 868731905 /nfs/dbraw/zinc/73/19/05/868731905.db2.gz PHHYIQXPQVSKPM-LJQANCHMSA-N 2 1 397.485 3.574 20 0 GHADMP CC1(C)CC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000524683310 869420883 /nfs/dbraw/zinc/42/08/83/869420883.db2.gz PNKDGRSZCORNOE-LJQANCHMSA-N 2 1 378.605 3.640 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446258122 869618847 /nfs/dbraw/zinc/61/88/47/869618847.db2.gz DJCRHGDLEJMXBH-YPHICONVSA-N 2 1 385.552 3.532 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539894402 869979457 /nfs/dbraw/zinc/97/94/57/869979457.db2.gz MWADTCRWPREXBB-BHDDXSALSA-N 2 1 382.552 3.679 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539894402 869979468 /nfs/dbraw/zinc/97/94/68/869979468.db2.gz MWADTCRWPREXBB-BHDDXSALSA-N 2 1 382.552 3.679 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000462834126 870180595 /nfs/dbraw/zinc/18/05/95/870180595.db2.gz ONURFQRAJUXSTR-IHWFROFDSA-N 2 1 379.552 3.695 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000462834126 870180609 /nfs/dbraw/zinc/18/06/09/870180609.db2.gz ONURFQRAJUXSTR-IHWFROFDSA-N 2 1 379.552 3.695 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]43)c2)C1 ZINC000462852236 870203936 /nfs/dbraw/zinc/20/39/36/870203936.db2.gz DHVKOZNCUFGDOZ-UHRQBARKSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)C1 ZINC000462852236 870203947 /nfs/dbraw/zinc/20/39/47/870203947.db2.gz DHVKOZNCUFGDOZ-UHRQBARKSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)C1 ZINC000462852236 870203960 /nfs/dbraw/zinc/20/39/60/870203960.db2.gz DHVKOZNCUFGDOZ-UHRQBARKSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](Cc4ccccc4Cl)CC3)c2)C1 ZINC000462853250 870207521 /nfs/dbraw/zinc/20/75/21/870207521.db2.gz HKGAFECUROUBDK-JOCHJYFZSA-N 2 1 399.966 3.983 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cnn1-c1cccc(Cl)c1 ZINC000247966245 870247609 /nfs/dbraw/zinc/24/76/09/870247609.db2.gz GVCBQGOTYZIARM-JXFKEZNVSA-N 2 1 390.959 3.722 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045835 870298778 /nfs/dbraw/zinc/29/87/78/870298778.db2.gz QTPJXQKKXYYYLQ-FQEVSTJZSA-N 2 1 394.563 3.840 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@H](C)c2cccs2)CC1)CC1CC1 ZINC000540050444 870307112 /nfs/dbraw/zinc/30/71/12/870307112.db2.gz SOVNHRQKXRGTGJ-QGZVFWFLSA-N 2 1 377.598 3.759 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000060238663 882399192 /nfs/dbraw/zinc/39/91/92/882399192.db2.gz SBWJBSIKPFONNF-RPWUZVMVSA-N 2 1 391.559 3.913 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391098 870360661 /nfs/dbraw/zinc/36/06/61/870360661.db2.gz CAIWGCMRTWAYDH-LRXVAGHRSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248391098 870360684 /nfs/dbraw/zinc/36/06/84/870360684.db2.gz CAIWGCMRTWAYDH-LRXVAGHRSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248391098 870360703 /nfs/dbraw/zinc/36/07/03/870360703.db2.gz CAIWGCMRTWAYDH-LRXVAGHRSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248391098 870360712 /nfs/dbraw/zinc/36/07/12/870360712.db2.gz CAIWGCMRTWAYDH-LRXVAGHRSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391098 870360733 /nfs/dbraw/zinc/36/07/33/870360733.db2.gz CAIWGCMRTWAYDH-LRXVAGHRSA-N 2 1 387.543 3.559 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OCC ZINC000248437033 870419367 /nfs/dbraw/zinc/41/93/67/870419367.db2.gz GRACMTHQUPMOAL-XMSQKQJNSA-N 2 1 398.547 3.901 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462967712 870561822 /nfs/dbraw/zinc/56/18/22/870561822.db2.gz RHIOKYXMMZTCGQ-JTOWHCCKSA-N 2 1 399.373 3.590 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462967712 870561827 /nfs/dbraw/zinc/56/18/27/870561827.db2.gz RHIOKYXMMZTCGQ-JTOWHCCKSA-N 2 1 399.373 3.590 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@H](C)C1 ZINC000540143360 870595304 /nfs/dbraw/zinc/59/53/04/870595304.db2.gz FOLZSTGQTPPJIN-PLYUQDFWSA-N 3 1 379.633 3.756 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@H](C)C1 ZINC000540143360 870595314 /nfs/dbraw/zinc/59/53/14/870595314.db2.gz FOLZSTGQTPPJIN-PLYUQDFWSA-N 2 1 379.633 3.756 20 0 GHADMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000525393678 870602858 /nfs/dbraw/zinc/60/28/58/870602858.db2.gz SGRPTALNVPLJSV-SFTDATJTSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000525393678 870602868 /nfs/dbraw/zinc/60/28/68/870602868.db2.gz SGRPTALNVPLJSV-SFTDATJTSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000525393678 870602874 /nfs/dbraw/zinc/60/28/74/870602874.db2.gz SGRPTALNVPLJSV-SFTDATJTSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000525393678 870602879 /nfs/dbraw/zinc/60/28/79/870602879.db2.gz SGRPTALNVPLJSV-SFTDATJTSA-N 2 1 391.559 3.556 20 0 GHADMP CCCCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000538795736 870621671 /nfs/dbraw/zinc/62/16/71/870621671.db2.gz SHEDMYGEZJOKMR-TUNNFDKTSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000538795736 870621678 /nfs/dbraw/zinc/62/16/78/870621678.db2.gz SHEDMYGEZJOKMR-TUNNFDKTSA-N 2 1 390.568 3.948 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CCSc3ccc(OC)cc32)[C@H](C)C1 ZINC000248819309 870649970 /nfs/dbraw/zinc/64/99/70/870649970.db2.gz IWWIBBVMHKGADR-UXPWSPDFSA-N 2 1 378.582 3.959 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccc(OC)cc32)[C@H](C)C1 ZINC000248819309 870649981 /nfs/dbraw/zinc/64/99/81/870649981.db2.gz IWWIBBVMHKGADR-UXPWSPDFSA-N 2 1 378.582 3.959 20 0 GHADMP CO[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](OC)CC3)ccc2F)CC1 ZINC000649421972 870772629 /nfs/dbraw/zinc/77/26/29/870772629.db2.gz YNXVTFVXQGUAGM-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP CO[C@@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCC[C@H](OC)CC3)ccc2F)CC1 ZINC000649421972 870772636 /nfs/dbraw/zinc/77/26/36/870772636.db2.gz YNXVTFVXQGUAGM-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP CO[C@@H]1CCC[N@H+](Cc2cc(C[NH+]3CCC[C@H](OC)CC3)ccc2F)CC1 ZINC000649421972 870772647 /nfs/dbraw/zinc/77/26/47/870772647.db2.gz YNXVTFVXQGUAGM-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000249214541 870791622 /nfs/dbraw/zinc/79/16/22/870791622.db2.gz ZLTXEEBGVFJPKY-PWRODBHTSA-N 2 1 395.513 3.761 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cnn(-c4ccccc4)c3)CC2)nc(C)[nH+]1 ZINC000766493285 870817891 /nfs/dbraw/zinc/81/78/91/870817891.db2.gz HHFIBEJHOWXMLZ-QGZVFWFLSA-N 2 1 376.508 3.599 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)C(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000249468424 870839197 /nfs/dbraw/zinc/83/91/97/870839197.db2.gz SXDMUJCPTSRGDF-ZVDOUQERSA-N 2 1 389.584 3.864 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000249468424 870839207 /nfs/dbraw/zinc/83/92/07/870839207.db2.gz SXDMUJCPTSRGDF-ZVDOUQERSA-N 2 1 389.584 3.864 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000249468424 870839218 /nfs/dbraw/zinc/83/92/18/870839218.db2.gz SXDMUJCPTSRGDF-ZVDOUQERSA-N 2 1 389.584 3.864 20 0 GHADMP Cc1cc(-n2cnc3ccc(C[NH3+])cc32)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001168838920 870898058 /nfs/dbraw/zinc/89/80/58/870898058.db2.gz PJTDQXLPVTWOSB-UHFFFAOYSA-N 2 1 383.499 3.746 20 0 GHADMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1(C)C ZINC001193208613 870944225 /nfs/dbraw/zinc/94/42/25/870944225.db2.gz CDQSXFANHXYVDO-PXNSSMCTSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1(C)C ZINC001193208613 870944241 /nfs/dbraw/zinc/94/42/41/870944241.db2.gz CDQSXFANHXYVDO-PXNSSMCTSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873675 870957703 /nfs/dbraw/zinc/95/77/03/870957703.db2.gz RZJAKBQXKAYLGF-NHCICSSKSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873675 870957713 /nfs/dbraw/zinc/95/77/13/870957713.db2.gz RZJAKBQXKAYLGF-NHCICSSKSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873675 870957722 /nfs/dbraw/zinc/95/77/22/870957722.db2.gz RZJAKBQXKAYLGF-NHCICSSKSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873675 870957733 /nfs/dbraw/zinc/95/77/33/870957733.db2.gz RZJAKBQXKAYLGF-NHCICSSKSA-N 2 1 399.579 3.982 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC000463121857 870962485 /nfs/dbraw/zinc/96/24/85/870962485.db2.gz BHTULQXDZWOJON-PMOQBDJRSA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC000463121857 870962506 /nfs/dbraw/zinc/96/25/06/870962506.db2.gz BHTULQXDZWOJON-PMOQBDJRSA-N 2 1 393.579 3.651 20 0 GHADMP C[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000463191690 871098572 /nfs/dbraw/zinc/09/85/72/871098572.db2.gz NKXBCQQAHLWYCQ-BWKNWUBXSA-N 2 1 377.576 3.946 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000463188103 871128407 /nfs/dbraw/zinc/12/84/07/871128407.db2.gz FNMINSZJXZUCIX-NRFANRHFSA-N 2 1 384.495 3.652 20 0 GHADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC001169064909 871149864 /nfs/dbraw/zinc/14/98/64/871149864.db2.gz BXVWKTJTSFYJNO-HNNXBMFYSA-N 2 1 391.968 3.883 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000539053414 871183872 /nfs/dbraw/zinc/18/38/72/871183872.db2.gz PWBPJKPVTWMBTA-FUHWJXTLSA-N 2 1 393.453 3.979 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)c2ccccc2)CC1 ZINC000463231969 871208154 /nfs/dbraw/zinc/20/81/54/871208154.db2.gz PYCXVAFOCSZXRJ-FQEVSTJZSA-N 2 1 379.548 3.850 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)c2ccccc2)CC1 ZINC000463231969 871208165 /nfs/dbraw/zinc/20/81/65/871208165.db2.gz PYCXVAFOCSZXRJ-FQEVSTJZSA-N 2 1 379.548 3.850 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449123838 871209642 /nfs/dbraw/zinc/20/96/42/871209642.db2.gz NZYCBUBZIHQJHX-NQIIRXRSSA-N 2 1 391.987 3.584 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)O2 ZINC001193744083 871259833 /nfs/dbraw/zinc/25/98/33/871259833.db2.gz YDNDDOZOGYNRJO-GGAORHGYSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)O2 ZINC001193744083 871259853 /nfs/dbraw/zinc/25/98/53/871259853.db2.gz YDNDDOZOGYNRJO-GGAORHGYSA-N 2 1 380.532 3.889 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000525709642 871268172 /nfs/dbraw/zinc/26/81/72/871268172.db2.gz WUKWEKRXMFVDQE-PWSUYJOCSA-N 2 1 393.272 3.631 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC(F)F ZINC000525709642 871268188 /nfs/dbraw/zinc/26/81/88/871268188.db2.gz WUKWEKRXMFVDQE-PWSUYJOCSA-N 2 1 393.272 3.631 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000461975992 871396424 /nfs/dbraw/zinc/39/64/24/871396424.db2.gz YNXRDSMUWXKNBG-UHFFFAOYSA-N 2 1 393.575 3.927 20 0 GHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000462035581 871486619 /nfs/dbraw/zinc/48/66/19/871486619.db2.gz JFZRPDMAAGDFNG-UHFFFAOYSA-N 2 1 386.499 3.595 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001169539887 871616450 /nfs/dbraw/zinc/61/64/50/871616450.db2.gz KMQOEQMYYQZWEK-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC001169553887 871634169 /nfs/dbraw/zinc/63/41/69/871634169.db2.gz GAXCBPHDWFQMMM-VQIMIIECSA-N 2 1 388.474 3.854 20 0 GHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000462116746 871645672 /nfs/dbraw/zinc/64/56/72/871645672.db2.gz QDLDFQPIIQSZHK-BJKOFHAPSA-N 2 1 393.575 3.803 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@@H]1C ZINC000539306733 871701149 /nfs/dbraw/zinc/70/11/49/871701149.db2.gz NGEIOAFKNDURLJ-GUYCJALGSA-N 2 1 387.387 3.790 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001169663685 871730978 /nfs/dbraw/zinc/73/09/78/871730978.db2.gz ZKORCGRIGPMVQG-MYGLTJDJSA-N 2 1 385.552 3.783 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169713473 871800757 /nfs/dbraw/zinc/80/07/57/871800757.db2.gz NTKPNLRKUWRWJY-ZRBLBEILSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169713473 871800776 /nfs/dbraw/zinc/80/07/76/871800776.db2.gz NTKPNLRKUWRWJY-ZRBLBEILSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169713473 871800797 /nfs/dbraw/zinc/80/07/97/871800797.db2.gz NTKPNLRKUWRWJY-ZRBLBEILSA-N 2 1 399.579 3.841 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC001194690412 871888064 /nfs/dbraw/zinc/88/80/64/871888064.db2.gz BWRIBCQTCLTUDJ-LOSJGSFVSA-N 2 1 377.576 3.930 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](CN1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC001194690412 871888084 /nfs/dbraw/zinc/88/80/84/871888084.db2.gz BWRIBCQTCLTUDJ-LOSJGSFVSA-N 2 1 377.576 3.930 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](CN1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001194690412 871888106 /nfs/dbraw/zinc/88/81/06/871888106.db2.gz BWRIBCQTCLTUDJ-LOSJGSFVSA-N 2 1 377.576 3.930 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc4ccccc4n3C(C)C)CC2)CC1 ZINC000618854933 872082288 /nfs/dbraw/zinc/08/22/88/872082288.db2.gz DTKHSFIXFQNZME-UHFFFAOYSA-N 2 1 397.567 3.752 20 0 GHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2nncn2-c2ccccc2)ccc1OC ZINC000182378635 872275107 /nfs/dbraw/zinc/27/51/07/872275107.db2.gz SZYUGMDICCKCDX-SFHVURJKSA-N 2 1 393.535 3.969 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552283947 872345475 /nfs/dbraw/zinc/34/54/75/872345475.db2.gz NREQEGRBJBQQHC-DYXWJJEUSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H](O)C[C@@H]1CCCC[NH+]1Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835792 872374581 /nfs/dbraw/zinc/37/45/81/872374581.db2.gz ZWSQLOJHSFOLCD-TZYAJKAJSA-N 2 1 388.596 3.937 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000619363350 872577015 /nfs/dbraw/zinc/57/70/15/872577015.db2.gz ZWXZHEYTJNGAJO-JENIJYKNSA-N 2 1 380.602 3.551 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)cc1F ZINC000552494706 872729631 /nfs/dbraw/zinc/72/96/31/872729631.db2.gz CILCVYFUBWUNSU-INIZCTEOSA-N 2 1 389.858 3.503 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CCS2 ZINC000527214667 872820889 /nfs/dbraw/zinc/82/08/89/872820889.db2.gz CNRINNASOWSEOR-FGZHOGPDSA-N 2 1 397.588 3.810 20 0 GHADMP Cc1c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cnn1C(C)(C)C ZINC000527292442 872966497 /nfs/dbraw/zinc/96/64/97/872966497.db2.gz FKPCBSOEMWSSAX-QFBILLFUSA-N 2 1 389.613 3.647 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478421254 873002040 /nfs/dbraw/zinc/00/20/40/873002040.db2.gz QFJLDOXSUYLFEW-HXUWFJFHSA-N 2 1 392.632 3.795 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000448216243 873022321 /nfs/dbraw/zinc/02/23/21/873022321.db2.gz ATNFEZLVBALMOW-AZUAARDMSA-N 2 1 394.629 3.798 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000102422234 873057343 /nfs/dbraw/zinc/05/73/43/873057343.db2.gz ZUUKHRFVZUHHOB-UHFFFAOYSA-N 2 1 398.378 3.777 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000122727128 882678177 /nfs/dbraw/zinc/67/81/77/882678177.db2.gz QJGIBBVYFFNESW-JKSUJKDBSA-N 2 1 381.948 3.920 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000448260147 873137495 /nfs/dbraw/zinc/13/74/95/873137495.db2.gz JQDAXBFNKKNIDX-ACRUOGEOSA-N 2 1 395.551 3.531 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000122777891 882705693 /nfs/dbraw/zinc/70/56/93/882705693.db2.gz MYWCDJWKHBUNJS-KRWDZBQOSA-N 2 1 384.520 3.811 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000122777891 882705702 /nfs/dbraw/zinc/70/57/02/882705702.db2.gz MYWCDJWKHBUNJS-KRWDZBQOSA-N 2 1 384.520 3.811 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2csc(-c3cnn(C)c3)n2)C[N@H+]1Cc1ccccc1 ZINC000527684088 873491394 /nfs/dbraw/zinc/49/13/94/873491394.db2.gz RYJNOLMXFGDUNN-HKUYNNGSSA-N 2 1 395.576 3.934 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000541409127 873543102 /nfs/dbraw/zinc/54/31/02/873543102.db2.gz WLQMUWLLFZMHPP-NRFANRHFSA-N 2 1 394.563 3.871 20 0 GHADMP COc1ccc(Oc2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)cc1 ZINC000541536548 873827059 /nfs/dbraw/zinc/82/70/59/873827059.db2.gz ZOPRSKMMIYQQFX-UHFFFAOYSA-N 2 1 395.547 3.701 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000769148479 873847292 /nfs/dbraw/zinc/84/72/92/873847292.db2.gz LSCAQIADGXFVPI-PMACEKPBSA-N 2 1 379.589 3.830 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000769148479 873847308 /nfs/dbraw/zinc/84/73/08/873847308.db2.gz LSCAQIADGXFVPI-PMACEKPBSA-N 2 1 379.589 3.830 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000541557732 873863215 /nfs/dbraw/zinc/86/32/15/873863215.db2.gz KYZSDBRCGMOSKM-MOPGFXCFSA-N 2 1 395.613 3.632 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC[C@H]3CCCCO3)CC2)c1C ZINC000541582334 873869108 /nfs/dbraw/zinc/86/91/08/873869108.db2.gz UHXLQYRZBLVQEY-HXUWFJFHSA-N 2 1 375.557 3.562 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC[C@H]3CCCCO3)CC2)c1C ZINC000541582334 873869119 /nfs/dbraw/zinc/86/91/19/873869119.db2.gz UHXLQYRZBLVQEY-HXUWFJFHSA-N 2 1 375.557 3.562 20 0 GHADMP CC1(C)CC([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC(C)(C)N1O ZINC001170002306 873878517 /nfs/dbraw/zinc/87/85/17/873878517.db2.gz RYJDIJRTWUJGJU-UHFFFAOYSA-N 2 1 375.557 3.978 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCc4c(Cl)cccc43)cc2)CC1 ZINC000541746947 874186368 /nfs/dbraw/zinc/18/63/68/874186368.db2.gz OWWMYXUSBPGRNN-JOCHJYFZSA-N 2 1 397.950 3.895 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449078257 874459446 /nfs/dbraw/zinc/45/94/46/874459446.db2.gz LKXGYKPNXFRLME-GOSISDBHSA-N 2 1 398.364 3.583 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449100553 874470837 /nfs/dbraw/zinc/47/08/37/874470837.db2.gz BWHIAWBGGSCZBB-FDFHNCONSA-N 3 1 387.612 3.561 20 0 GHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449100553 874470845 /nfs/dbraw/zinc/47/08/45/874470845.db2.gz BWHIAWBGGSCZBB-FDFHNCONSA-N 2 1 387.612 3.561 20 0 GHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449100553 874470849 /nfs/dbraw/zinc/47/08/49/874470849.db2.gz BWHIAWBGGSCZBB-FDFHNCONSA-N 2 1 387.612 3.561 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(CCc3ccccc3)s2)C[C@H](C)O1 ZINC000449103606 874477593 /nfs/dbraw/zinc/47/75/93/874477593.db2.gz RATXEBAUOUKAJW-KDURUIRLSA-N 2 1 387.593 3.907 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C[C@H]1C ZINC000449206497 874585682 /nfs/dbraw/zinc/58/56/82/874585682.db2.gz PSBWSUFLDKPYKK-VWPQPMDRSA-N 2 1 386.580 3.887 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235085 874602142 /nfs/dbraw/zinc/60/21/42/874602142.db2.gz SRQRNUFBJKPWIZ-MJGOQNOKSA-N 2 1 390.449 3.838 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235085 874602149 /nfs/dbraw/zinc/60/21/49/874602149.db2.gz SRQRNUFBJKPWIZ-MJGOQNOKSA-N 2 1 390.449 3.838 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000770379134 874620668 /nfs/dbraw/zinc/62/06/68/874620668.db2.gz KUDMZGMAMUYBPV-MJGOQNOKSA-N 2 1 391.556 3.505 20 0 GHADMP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449301780 874690940 /nfs/dbraw/zinc/69/09/40/874690940.db2.gz SPNSFHMKNYBLBL-FXAWDEMLSA-N 2 1 378.582 3.580 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1OC(F)F ZINC001199198197 874848660 /nfs/dbraw/zinc/84/86/60/874848660.db2.gz NDABBQZITHDKDY-LBPRGKRZSA-N 2 1 389.284 3.933 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1OC(F)F ZINC001199198197 874848673 /nfs/dbraw/zinc/84/86/73/874848673.db2.gz NDABBQZITHDKDY-LBPRGKRZSA-N 2 1 389.284 3.933 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC001199265608 874882618 /nfs/dbraw/zinc/88/26/18/874882618.db2.gz CMRYRMHJZZVEJA-GOSISDBHSA-N 2 1 386.561 3.612 20 0 GHADMP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001199275744 874907434 /nfs/dbraw/zinc/90/74/34/874907434.db2.gz LMKYDBWCIDHGBC-UHFFFAOYSA-N 2 1 385.939 3.634 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000449597748 875101214 /nfs/dbraw/zinc/10/12/14/875101214.db2.gz ZTFDOJTZDQIYBM-MOGNJTFLSA-N 2 1 394.563 3.531 20 0 GHADMP CN(C(=O)CC1(c2ccccc2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000528896890 875237322 /nfs/dbraw/zinc/23/73/22/875237322.db2.gz SGDXJZWVIKVLRO-PKTZIBPZSA-N 2 1 397.607 3.904 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)[NH+]1CCCCC1 ZINC000465200397 875311676 /nfs/dbraw/zinc/31/16/76/875311676.db2.gz PWIQVQJKNYGBJB-UGKGYDQZSA-N 2 1 387.568 3.856 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475737457 882935419 /nfs/dbraw/zinc/93/54/19/882935419.db2.gz CWZPTUGOGYVLQH-JKSUJKDBSA-N 2 1 377.960 3.507 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2cc(Cl)ccc2Cl)CC1 ZINC001201077472 875512804 /nfs/dbraw/zinc/51/28/04/875512804.db2.gz QYWWQHYMJQAQCO-UHFFFAOYSA-N 2 1 396.347 3.949 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cccc4c3OCO4)cc2)C[C@H]1C ZINC001201742657 875838597 /nfs/dbraw/zinc/83/85/97/875838597.db2.gz RXMOOHQIMFMAJU-KDURUIRLSA-N 2 1 396.531 3.714 20 0 GHADMP C[C@@H]1CC[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000450061494 875881982 /nfs/dbraw/zinc/88/19/82/875881982.db2.gz QDMDAKJUWRKJGS-SFHLNBCPSA-N 2 1 377.617 3.713 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC001201927908 875922717 /nfs/dbraw/zinc/92/27/17/875922717.db2.gz SLIUJTIMBUFLLZ-LJQANCHMSA-N 2 1 388.556 3.546 20 0 GHADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000475744035 882981056 /nfs/dbraw/zinc/98/10/56/882981056.db2.gz ACTGBUUXYLMMND-FGTMMUONSA-N 2 1 375.582 3.540 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCCC(F)(F)F)CC2 ZINC001202394057 876196644 /nfs/dbraw/zinc/19/66/44/876196644.db2.gz FIAVBYJKDLXGLO-OAHLLOKOSA-N 2 1 391.503 3.789 20 0 GHADMP CCCc1ccc2[nH+]ccc(N3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)c2c1 ZINC000450325920 876291086 /nfs/dbraw/zinc/29/10/86/876291086.db2.gz FZQVIUJKYKHIHC-UHFFFAOYSA-N 2 1 394.563 3.568 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192935302 883051547 /nfs/dbraw/zinc/05/15/47/883051547.db2.gz MYEXFAARJHPJSY-ICSRJNTNSA-N 2 1 381.520 3.524 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccsc1 ZINC000173823157 876668571 /nfs/dbraw/zinc/66/85/71/876668571.db2.gz PXZVGHMCJAUOEV-AABGKKOBSA-N 2 1 392.613 3.788 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3sc(Br)cc32)C[C@H](C)O1 ZINC000551014301 883066111 /nfs/dbraw/zinc/06/61/11/883066111.db2.gz RSDVXNCOAJJQIH-VNHYZAJKSA-N 2 1 387.387 3.977 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(SC(F)F)cc3)cc2)C1 ZINC000850357359 876848106 /nfs/dbraw/zinc/84/81/06/876848106.db2.gz GTRARPCAJMRADN-SFHVURJKSA-N 2 1 378.488 3.858 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000850402011 876883090 /nfs/dbraw/zinc/88/30/90/876883090.db2.gz DBPPNVASVBIUDC-GOSISDBHSA-N 2 1 399.560 3.580 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000850402011 876883096 /nfs/dbraw/zinc/88/30/96/876883096.db2.gz DBPPNVASVBIUDC-GOSISDBHSA-N 2 1 399.560 3.580 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433838 876917937 /nfs/dbraw/zinc/91/79/37/876917937.db2.gz RQGCQBUYRCSAMF-LPHOPBHVSA-N 2 1 397.485 3.732 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000850471902 876949962 /nfs/dbraw/zinc/94/99/62/876949962.db2.gz UMBAFRKJZWERAE-HWELCPFYSA-N 2 1 387.568 3.936 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816504 876972186 /nfs/dbraw/zinc/97/21/86/876972186.db2.gz KPZJNNOYVXCHJW-ZWKOTPCHSA-N 2 1 398.576 3.841 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816504 876972190 /nfs/dbraw/zinc/97/21/90/876972190.db2.gz KPZJNNOYVXCHJW-ZWKOTPCHSA-N 2 1 398.576 3.841 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2)CC1 ZINC000537670823 883087367 /nfs/dbraw/zinc/08/73/67/883087367.db2.gz RUWNDRCQKRONFR-JTHBVZDNSA-N 2 1 398.595 3.909 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000850558949 877025299 /nfs/dbraw/zinc/02/52/99/877025299.db2.gz YCFJDUFKTILCEQ-CCKFTAQKSA-N 2 1 389.367 3.753 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1)c1ccccc1 ZINC000174891634 877312880 /nfs/dbraw/zinc/31/28/80/877312880.db2.gz JLIGQRSDIBUITL-SVFBPWRDSA-N 2 1 386.584 3.774 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000174891605 877313481 /nfs/dbraw/zinc/31/34/81/877313481.db2.gz WDSAZXKALFGWLC-LJQANCHMSA-N 2 1 397.567 3.935 20 0 GHADMP c1sc(CCc2ccccc2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240735 877350516 /nfs/dbraw/zinc/35/05/16/877350516.db2.gz MUYFFTINJIZBCA-NRFANRHFSA-N 2 1 385.577 3.519 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000530242867 877352928 /nfs/dbraw/zinc/35/29/28/877352928.db2.gz VKXZFYSHLCGWKU-HXUWFJFHSA-N 2 1 386.565 3.786 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2)C1 ZINC000136748584 877363501 /nfs/dbraw/zinc/36/35/01/877363501.db2.gz OCPYWQDIKOJYCM-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2)C1 ZINC000136748584 877363516 /nfs/dbraw/zinc/36/35/16/877363516.db2.gz OCPYWQDIKOJYCM-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2)C1 ZINC000136748584 877363533 /nfs/dbraw/zinc/36/35/33/877363533.db2.gz OCPYWQDIKOJYCM-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000551572874 877460405 /nfs/dbraw/zinc/46/04/05/877460405.db2.gz XPPMXZBYZFIMJF-XXBNENTESA-N 2 1 380.532 3.661 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001183083414 912238223 /nfs/dbraw/zinc/23/82/23/912238223.db2.gz GHNMKWAIWRJUJY-RTBURBONSA-N 2 1 399.620 3.749 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001183083414 912238241 /nfs/dbraw/zinc/23/82/41/912238241.db2.gz GHNMKWAIWRJUJY-RTBURBONSA-N 2 1 399.620 3.749 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[N@@H+]1C ZINC000124572259 889678981 /nfs/dbraw/zinc/67/89/81/889678981.db2.gz GMZQCYVZYNMURS-JQWIXIFHSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[N@H+]1C ZINC000124572259 889678994 /nfs/dbraw/zinc/67/89/94/889678994.db2.gz GMZQCYVZYNMURS-JQWIXIFHSA-N 2 1 376.136 3.784 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC[C@@H]21 ZINC000138028717 877723443 /nfs/dbraw/zinc/72/34/43/877723443.db2.gz OCSYCLAQOCZQBF-GOTSBHOMSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175645725 877820259 /nfs/dbraw/zinc/82/02/59/877820259.db2.gz PHMYXZPKVYJFAJ-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1C/C=C\C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334624 877820818 /nfs/dbraw/zinc/82/08/18/877820818.db2.gz CNFUWCVVSOIFFF-GGEFBIINSA-N 2 1 390.612 3.574 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334624 877820832 /nfs/dbraw/zinc/82/08/32/877820832.db2.gz CNFUWCVVSOIFFF-GGEFBIINSA-N 2 1 390.612 3.574 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334624 877820846 /nfs/dbraw/zinc/82/08/46/877820846.db2.gz CNFUWCVVSOIFFF-GGEFBIINSA-N 2 1 390.612 3.574 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000245452730 877902725 /nfs/dbraw/zinc/90/27/25/877902725.db2.gz DURWZBJZJGKOPL-QZTJIDSGSA-N 2 1 384.520 3.775 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000788246871 877949312 /nfs/dbraw/zinc/94/93/12/877949312.db2.gz GJIOIBVPPDWLBH-XEYPJELSSA-N 2 1 375.557 3.583 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000788246871 877949316 /nfs/dbraw/zinc/94/93/16/877949316.db2.gz GJIOIBVPPDWLBH-XEYPJELSSA-N 2 1 375.557 3.583 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)cc1 ZINC000642713500 912295270 /nfs/dbraw/zinc/29/52/70/912295270.db2.gz RLGCKJFRUWMODM-GOSISDBHSA-N 2 1 375.532 3.591 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176073226 878067226 /nfs/dbraw/zinc/06/72/26/878067226.db2.gz HSAAWUDPUJKIIJ-FQEVSTJZSA-N 2 1 375.532 3.559 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176073226 878067245 /nfs/dbraw/zinc/06/72/45/878067245.db2.gz HSAAWUDPUJKIIJ-FQEVSTJZSA-N 2 1 375.532 3.559 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000245544815 878081355 /nfs/dbraw/zinc/08/13/55/878081355.db2.gz BSAXEHBTVLRANU-VQTJNVASSA-N 2 1 386.927 3.969 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000245544815 878081375 /nfs/dbraw/zinc/08/13/75/878081375.db2.gz BSAXEHBTVLRANU-VQTJNVASSA-N 2 1 386.927 3.969 20 0 GHADMP CC1(C)C[C@H](O)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](O)CC(C)(C)C3)cc2)C1 ZINC000451809886 878497427 /nfs/dbraw/zinc/49/74/27/878497427.db2.gz NAXBUQMJPPPNPT-FGZHOGPDSA-N 2 1 388.596 3.652 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000537990372 878634387 /nfs/dbraw/zinc/63/43/87/878634387.db2.gz KPNBUQKXAKVOPA-WZONZLPQSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000537990372 878634397 /nfs/dbraw/zinc/63/43/97/878634397.db2.gz KPNBUQKXAKVOPA-WZONZLPQSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000538046269 878758676 /nfs/dbraw/zinc/75/86/76/878758676.db2.gz UDHWNHIRSGROCF-WOJBJXKFSA-N 2 1 382.548 3.930 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177601982 878773972 /nfs/dbraw/zinc/77/39/72/878773972.db2.gz JJKKSYLUNVSUAN-MJGOQNOKSA-N 2 1 375.582 3.656 20 0 GHADMP CC1(C)C[N@@H+](C[C@H](O)c2ccccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000853063700 878783468 /nfs/dbraw/zinc/78/34/68/878783468.db2.gz FDIBHTYBEKVFNG-XZOQPEGZSA-N 2 1 379.548 3.738 20 0 GHADMP CCN(CC(O)C[N@@H+](CC)[C@H](C)c1cccc(O)c1)[C@H](C)c1cccc(O)c1 ZINC000245981551 878824207 /nfs/dbraw/zinc/82/42/07/878824207.db2.gz PLEDSEGLXQWUMB-QZTJIDSGSA-N 2 1 386.536 3.925 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1c(F)cccc1F ZINC000853120253 878827207 /nfs/dbraw/zinc/82/72/07/878827207.db2.gz JBOBUOLLEPZCHP-NQIIRXRSSA-N 2 1 386.486 3.890 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000246037252 878880738 /nfs/dbraw/zinc/88/07/38/878880738.db2.gz OLJAGGIZMRBZEB-KNQAVFIVSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000246037252 878880748 /nfs/dbraw/zinc/88/07/48/878880748.db2.gz OLJAGGIZMRBZEB-KNQAVFIVSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178245935 879058058 /nfs/dbraw/zinc/05/80/58/879058058.db2.gz IBFVYMRJIIFREM-CTNGQTDRSA-N 2 1 383.580 3.983 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000246155021 879065652 /nfs/dbraw/zinc/06/56/52/879065652.db2.gz KLLAPUPTJRJJRZ-PKTZIBPZSA-N 2 1 398.595 3.829 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000246155021 879065674 /nfs/dbraw/zinc/06/56/74/879065674.db2.gz KLLAPUPTJRJJRZ-PKTZIBPZSA-N 2 1 398.595 3.829 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000246155021 879065692 /nfs/dbraw/zinc/06/56/92/879065692.db2.gz KLLAPUPTJRJJRZ-PKTZIBPZSA-N 2 1 398.595 3.829 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000246159985 879076930 /nfs/dbraw/zinc/07/69/30/879076930.db2.gz DWKOQYXDNDAYEN-CTNGQTDRSA-N 2 1 388.600 3.516 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000111386847 879082528 /nfs/dbraw/zinc/08/25/28/879082528.db2.gz CDZFMQASOGFLDY-KRWDZBQOSA-N 2 1 385.335 3.596 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000246405473 879522145 /nfs/dbraw/zinc/52/21/45/879522145.db2.gz RUUBPLFMPHNCIN-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000455916849 879548674 /nfs/dbraw/zinc/54/86/74/879548674.db2.gz KPLMHKWPMXOVIT-SBUREZEXSA-N 2 1 392.547 3.804 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246478723 879601614 /nfs/dbraw/zinc/60/16/14/879601614.db2.gz GMAFYYWVPHKTHB-ODGPQVTHSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246478723 879601625 /nfs/dbraw/zinc/60/16/25/879601625.db2.gz GMAFYYWVPHKTHB-ODGPQVTHSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246478723 879601638 /nfs/dbraw/zinc/60/16/38/879601638.db2.gz GMAFYYWVPHKTHB-ODGPQVTHSA-N 2 1 380.532 3.528 20 0 GHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790365023 879623342 /nfs/dbraw/zinc/62/33/42/879623342.db2.gz HEVDMNFJYUYWMK-GGAORHGYSA-N 2 1 385.552 3.512 20 0 GHADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790364016 879631328 /nfs/dbraw/zinc/63/13/28/879631328.db2.gz CVWKHMRHMMKCMV-RZFNWQHOSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790364016 879631334 /nfs/dbraw/zinc/63/13/34/879631334.db2.gz CVWKHMRHMMKCMV-RZFNWQHOSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CC2 ZINC000493916098 879716206 /nfs/dbraw/zinc/71/62/06/879716206.db2.gz GUAZPUCMXMWXIY-LJQANCHMSA-N 2 1 394.401 3.608 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000493894628 879723618 /nfs/dbraw/zinc/72/36/18/879723618.db2.gz PNRHSYCNVSLTOM-SFHVURJKSA-N 2 1 393.369 3.979 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000531427574 879815587 /nfs/dbraw/zinc/81/55/87/879815587.db2.gz KTWNQCBCUSADNR-OFNKIYASSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000531427574 879815595 /nfs/dbraw/zinc/81/55/95/879815595.db2.gz KTWNQCBCUSADNR-OFNKIYASSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000531427574 879815613 /nfs/dbraw/zinc/81/56/13/879815613.db2.gz KTWNQCBCUSADNR-OFNKIYASSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000531427574 879815625 /nfs/dbraw/zinc/81/56/25/879815625.db2.gz KTWNQCBCUSADNR-OFNKIYASSA-N 2 1 391.559 3.951 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246823168 879815690 /nfs/dbraw/zinc/81/56/90/879815690.db2.gz NUZSFZAKEHMJLG-IEIRFRATSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246823168 879815709 /nfs/dbraw/zinc/81/57/09/879815709.db2.gz NUZSFZAKEHMJLG-IEIRFRATSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246823168 879815720 /nfs/dbraw/zinc/81/57/20/879815720.db2.gz NUZSFZAKEHMJLG-IEIRFRATSA-N 2 1 380.532 3.528 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)CC1 ZINC000247007649 879881313 /nfs/dbraw/zinc/88/13/13/879881313.db2.gz LAJPPZBZXSRNCY-OXJNMPFZSA-N 2 1 397.966 3.703 20 0 GHADMP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000461466426 879886021 /nfs/dbraw/zinc/88/60/21/879886021.db2.gz JHKXFOZXPHYHQS-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000461466426 879886042 /nfs/dbraw/zinc/88/60/42/879886042.db2.gz JHKXFOZXPHYHQS-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000461466426 879886060 /nfs/dbraw/zinc/88/60/60/879886060.db2.gz JHKXFOZXPHYHQS-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000461466426 879886074 /nfs/dbraw/zinc/88/60/74/879886074.db2.gz JHKXFOZXPHYHQS-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCC[C@@H](C)C1 ZINC000247376801 879984034 /nfs/dbraw/zinc/98/40/34/879984034.db2.gz DYCQGHZPVPYXIS-XSYGEPLQSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247376801 879984046 /nfs/dbraw/zinc/98/40/46/879984046.db2.gz DYCQGHZPVPYXIS-XSYGEPLQSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000247376801 879984052 /nfs/dbraw/zinc/98/40/52/879984052.db2.gz DYCQGHZPVPYXIS-XSYGEPLQSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCC[C@@H](C)C1 ZINC000247376781 879984584 /nfs/dbraw/zinc/98/45/84/879984584.db2.gz DYCQGHZPVPYXIS-MLYOOKFZSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247376781 879984598 /nfs/dbraw/zinc/98/45/98/879984598.db2.gz DYCQGHZPVPYXIS-MLYOOKFZSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000247376781 879984603 /nfs/dbraw/zinc/98/46/03/879984603.db2.gz DYCQGHZPVPYXIS-MLYOOKFZSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000247389135 879987504 /nfs/dbraw/zinc/98/75/04/879987504.db2.gz GJPIYAVLJDRTMS-YLJYHZDGSA-N 2 1 392.613 3.551 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494217557 880000846 /nfs/dbraw/zinc/00/08/46/880000846.db2.gz WMYSWFVDYCVWRH-ICSRJNTNSA-N 2 1 392.906 3.714 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000531646186 880250456 /nfs/dbraw/zinc/25/04/56/880250456.db2.gz HJNCWOVHMQSPIL-INIZCTEOSA-N 2 1 381.511 3.536 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000643207372 912549884 /nfs/dbraw/zinc/54/98/84/912549884.db2.gz PHFCNBXFOBQGJM-XZOQPEGZSA-N 2 1 392.547 3.522 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000643207372 912549904 /nfs/dbraw/zinc/54/99/04/912549904.db2.gz PHFCNBXFOBQGJM-XZOQPEGZSA-N 2 1 392.547 3.522 20 0 GHADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677420 880306246 /nfs/dbraw/zinc/30/62/46/880306246.db2.gz VZBCGNZETRQJPZ-FXAWDEMLSA-N 2 1 375.557 3.787 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2ccccc2n1 ZINC000531677089 880306307 /nfs/dbraw/zinc/30/63/07/880306307.db2.gz GTLVKNNCTQRADY-DYESRHJHSA-N 2 1 380.561 3.936 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000531683045 880315234 /nfs/dbraw/zinc/31/52/34/880315234.db2.gz SJBSBDIFIWNKGU-COXVUDFISA-N 2 1 385.430 3.519 20 0 GHADMP CC1(C)C[N@@H+](C[C@H](O)CC(F)(F)F)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453005022 880319130 /nfs/dbraw/zinc/31/91/30/880319130.db2.gz ATXCFZTVSGTROS-MOPGFXCFSA-N 2 1 384.486 3.922 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ncc(-c2ccccc2)n1C ZINC000453072934 880396318 /nfs/dbraw/zinc/39/63/18/880396318.db2.gz ZFLKKCOZVYMXPK-GOSISDBHSA-N 2 1 378.520 3.878 20 0 GHADMP c1ncn(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)cc2)n1 ZINC000453109383 880477582 /nfs/dbraw/zinc/47/75/82/880477582.db2.gz PKTQAVIQWNGRRG-KMDXXIMOSA-N 2 1 387.531 3.800 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1ccn(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000531848377 880599455 /nfs/dbraw/zinc/59/94/55/880599455.db2.gz HGTXYLSDOIWTQE-UHFFFAOYSA-N 2 1 389.547 3.693 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185518504 880607468 /nfs/dbraw/zinc/60/74/68/880607468.db2.gz MNASZAKFNLBMHG-HNNXBMFYSA-N 2 1 375.463 3.663 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1)C(N)=O ZINC000453273584 880756212 /nfs/dbraw/zinc/75/62/12/880756212.db2.gz FVIMFXXTOPREER-FNAHDJPLSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1)C(N)=O ZINC000453273584 880756217 /nfs/dbraw/zinc/75/62/17/880756217.db2.gz FVIMFXXTOPREER-FNAHDJPLSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1)C(N)=O ZINC000453273584 880756221 /nfs/dbraw/zinc/75/62/21/880756221.db2.gz FVIMFXXTOPREER-FNAHDJPLSA-N 2 1 383.580 3.511 20 0 GHADMP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453390100 880886591 /nfs/dbraw/zinc/88/65/91/880886591.db2.gz CXARRVGNOBANIW-SFTDATJTSA-N 2 1 378.582 3.544 20 0 GHADMP Cc1noc([C@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@@H]2c2nc(C)no2)n1 ZINC000796695939 881016546 /nfs/dbraw/zinc/01/65/46/881016546.db2.gz QTAIYVAUFOXXTQ-QZTJIDSGSA-N 2 1 388.516 3.604 20 0 GHADMP CC1(C)C[C@H](Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C[N@H+]1Cc1ccccc1 ZINC000643348914 912649394 /nfs/dbraw/zinc/64/93/94/912649394.db2.gz IOYVWYMDTZBEQZ-GOTSBHOMSA-N 2 1 379.548 3.718 20 0 GHADMP CC1(C)C[C@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)C[NH+]1Cc1ccccc1 ZINC000643348914 912649408 /nfs/dbraw/zinc/64/94/08/912649408.db2.gz IOYVWYMDTZBEQZ-GOTSBHOMSA-N 2 1 379.548 3.718 20 0 GHADMP CC1(C)C[C@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)C[NH+]1Cc1ccccc1 ZINC000643348914 912649417 /nfs/dbraw/zinc/64/94/17/912649417.db2.gz IOYVWYMDTZBEQZ-GOTSBHOMSA-N 2 1 379.548 3.718 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1CCc1cccs1 ZINC000556956679 881162286 /nfs/dbraw/zinc/16/22/86/881162286.db2.gz YDSJTLHRPNBOAS-UHFFFAOYSA-N 2 1 387.593 3.865 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000187480895 881209426 /nfs/dbraw/zinc/20/94/26/881209426.db2.gz TZHKLGGTWDUUEJ-QFIPXVFZSA-N 2 1 388.600 3.516 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000120072462 881310884 /nfs/dbraw/zinc/31/08/84/881310884.db2.gz LSTNFHZKTPMDQS-LJQANCHMSA-N 2 1 397.567 3.655 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000120072462 881310920 /nfs/dbraw/zinc/31/09/20/881310920.db2.gz LSTNFHZKTPMDQS-LJQANCHMSA-N 2 1 397.567 3.655 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](n2cncn2)C1 ZINC000551051675 883185843 /nfs/dbraw/zinc/18/58/43/883185843.db2.gz QLYVIXQOOGQHBM-GPYQISKWSA-N 2 1 379.552 3.793 20 0 GHADMP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182687087 883230848 /nfs/dbraw/zinc/23/08/48/883230848.db2.gz YHQBVUAOWHHTCP-RTBURBONSA-N 2 1 390.616 3.736 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000565421854 883254195 /nfs/dbraw/zinc/25/41/95/883254195.db2.gz JVWWOGYZWSPBHT-DZFGPLHGSA-N 2 1 382.552 3.873 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000123239730 883261716 /nfs/dbraw/zinc/26/17/16/883261716.db2.gz DYTWZUGIWRQGRK-FXAWDEMLSA-N 2 1 383.540 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000123239730 883261732 /nfs/dbraw/zinc/26/17/32/883261732.db2.gz DYTWZUGIWRQGRK-FXAWDEMLSA-N 2 1 383.540 3.758 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1Cl ZINC001211910718 883410936 /nfs/dbraw/zinc/41/09/36/883410936.db2.gz JQGQJLZLZHLCBP-INIZCTEOSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1Cl ZINC001211910718 883410944 /nfs/dbraw/zinc/41/09/44/883410944.db2.gz JQGQJLZLZHLCBP-INIZCTEOSA-N 2 1 398.869 3.718 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000193775663 883490258 /nfs/dbraw/zinc/49/02/58/883490258.db2.gz WDSNFNRLWUCYST-ZEQRLZLVSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193775663 883490270 /nfs/dbraw/zinc/49/02/70/883490270.db2.gz WDSNFNRLWUCYST-ZEQRLZLVSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193775663 883490278 /nfs/dbraw/zinc/49/02/78/883490278.db2.gz WDSNFNRLWUCYST-ZEQRLZLVSA-N 2 1 391.559 3.537 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476968668 883493696 /nfs/dbraw/zinc/49/36/96/883493696.db2.gz DEXILZJPIZDYIB-MOPGFXCFSA-N 2 1 387.568 3.999 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476968668 883493708 /nfs/dbraw/zinc/49/37/08/883493708.db2.gz DEXILZJPIZDYIB-MOPGFXCFSA-N 2 1 387.568 3.999 20 0 GHADMP CC1CC[NH+](CCC[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000195658260 883544231 /nfs/dbraw/zinc/54/42/31/883544231.db2.gz RJJNCFGUVYDWRI-UHFFFAOYSA-N 2 1 391.357 3.846 20 0 GHADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212206 883664288 /nfs/dbraw/zinc/66/42/88/883664288.db2.gz HQMCDEGNZYIZBJ-QGZVFWFLSA-N 2 1 391.519 3.597 20 0 GHADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212206 883664294 /nfs/dbraw/zinc/66/42/94/883664294.db2.gz HQMCDEGNZYIZBJ-QGZVFWFLSA-N 2 1 391.519 3.597 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212594 883665895 /nfs/dbraw/zinc/66/58/95/883665895.db2.gz QAKJTOLRTLIEAO-LJQANCHMSA-N 2 1 394.563 3.807 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212594 883665896 /nfs/dbraw/zinc/66/58/96/883665896.db2.gz QAKJTOLRTLIEAO-LJQANCHMSA-N 2 1 394.563 3.807 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC000859214551 883667686 /nfs/dbraw/zinc/66/76/86/883667686.db2.gz JXINEYXMGZXNJP-UHFFFAOYSA-N 2 1 376.500 3.975 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000194734666 883914604 /nfs/dbraw/zinc/91/46/04/883914604.db2.gz RRXKUTYJZPCEDS-JOCHJYFZSA-N 2 1 377.532 3.534 20 0 GHADMP O[C@@H](CCc1ccccc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542510103 883928870 /nfs/dbraw/zinc/92/88/70/883928870.db2.gz JCKUEDZPECKVGB-DEOSSOPVSA-N 2 1 378.560 3.968 20 0 GHADMP c1cc2cc(-c3noc([C@@H]4C[N@@H+](Cc5ccccc5)CC45C[NH2+]C5)n3)ccc2o1 ZINC001211911964 883989452 /nfs/dbraw/zinc/98/94/52/883989452.db2.gz WFROIKHSCCFXPV-IBGZPJMESA-N 2 1 386.455 3.672 20 0 GHADMP c1cc2cc(-c3noc([C@@H]4C[N@H+](Cc5ccccc5)CC45C[NH2+]C5)n3)ccc2o1 ZINC001211911964 883989471 /nfs/dbraw/zinc/98/94/71/883989471.db2.gz WFROIKHSCCFXPV-IBGZPJMESA-N 2 1 386.455 3.672 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(F)cn1 ZINC000556232226 884178369 /nfs/dbraw/zinc/17/83/69/884178369.db2.gz IIAKXEFQBHEOCO-UYAOXDASSA-N 2 1 383.511 3.800 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(F)cn1 ZINC000556232226 884178372 /nfs/dbraw/zinc/17/83/72/884178372.db2.gz IIAKXEFQBHEOCO-UYAOXDASSA-N 2 1 383.511 3.800 20 0 GHADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000859958494 884211973 /nfs/dbraw/zinc/21/19/73/884211973.db2.gz GBMRCXXJNARZHL-FCHUYYIVSA-N 2 1 381.520 3.673 20 0 GHADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000859958494 884211991 /nfs/dbraw/zinc/21/19/91/884211991.db2.gz GBMRCXXJNARZHL-FCHUYYIVSA-N 2 1 381.520 3.673 20 0 GHADMP COc1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)c2cc[nH]c21 ZINC001170493454 884218313 /nfs/dbraw/zinc/21/83/13/884218313.db2.gz PPFBFHASVCBKHT-KLAILNCOSA-N 2 1 392.503 3.548 20 0 GHADMP CC[N@@H+](CCC(=O)Nc1ccc(N(C)C)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859996538 884250492 /nfs/dbraw/zinc/25/04/92/884250492.db2.gz HFFGJUKOEDZYNO-UHFFFAOYSA-N 2 1 382.552 3.665 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000192762022 884296744 /nfs/dbraw/zinc/29/67/44/884296744.db2.gz HVVIIWGWBZZQEN-LJQANCHMSA-N 2 1 390.641 3.617 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000249389986 912816100 /nfs/dbraw/zinc/81/61/00/912816100.db2.gz RTZNSXRTESEYLB-JFSTXAPLSA-N 2 1 393.531 3.758 20 0 GHADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000495059309 884463693 /nfs/dbraw/zinc/46/36/93/884463693.db2.gz MPNUXVRAWKYPLA-QFIPXVFZSA-N 2 1 379.548 3.726 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)c1 ZINC001126674283 884538430 /nfs/dbraw/zinc/53/84/30/884538430.db2.gz VXOXWZPOWGITNI-GOTSBHOMSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001126674283 884538442 /nfs/dbraw/zinc/53/84/42/884538442.db2.gz VXOXWZPOWGITNI-GOTSBHOMSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001126674283 884538454 /nfs/dbraw/zinc/53/84/54/884538454.db2.gz VXOXWZPOWGITNI-GOTSBHOMSA-N 2 1 383.580 3.730 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000495193600 884770418 /nfs/dbraw/zinc/77/04/18/884770418.db2.gz QGEHPZVXZGSSDK-FPOVZHCZSA-N 2 1 385.577 3.550 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000495193600 884770438 /nfs/dbraw/zinc/77/04/38/884770438.db2.gz QGEHPZVXZGSSDK-FPOVZHCZSA-N 2 1 385.577 3.550 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NCCC1=CCCCC1 ZINC000460347411 884927124 /nfs/dbraw/zinc/92/71/24/884927124.db2.gz CAPWVXZNZCLEDK-GZOXUSKESA-N 2 1 383.580 3.739 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000460347411 884927145 /nfs/dbraw/zinc/92/71/45/884927145.db2.gz CAPWVXZNZCLEDK-GZOXUSKESA-N 2 1 383.580 3.739 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000130697158 885025651 /nfs/dbraw/zinc/02/56/51/885025651.db2.gz IUUHOKIMRQTBHC-JOCHJYFZSA-N 2 1 386.515 3.700 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000130697158 885025663 /nfs/dbraw/zinc/02/56/63/885025663.db2.gz IUUHOKIMRQTBHC-JOCHJYFZSA-N 2 1 386.515 3.700 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000666441047 885043154 /nfs/dbraw/zinc/04/31/54/885043154.db2.gz JBIKGICRBPQHKC-QHCPKHFHSA-N 2 1 380.532 3.981 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000107329312 885344890 /nfs/dbraw/zinc/34/48/90/885344890.db2.gz SJEDDOYEFDSGPX-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c21 ZINC000176589443 885406150 /nfs/dbraw/zinc/40/61/50/885406150.db2.gz REOGDKGYFSJWEE-UHFFFAOYSA-N 2 1 385.552 3.948 20 0 GHADMP C[C@H](CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001126789760 885436450 /nfs/dbraw/zinc/43/64/50/885436450.db2.gz DDAXAXKUVSRWEC-DYESRHJHSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@H](CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC001126789760 885436473 /nfs/dbraw/zinc/43/64/73/885436473.db2.gz DDAXAXKUVSRWEC-DYESRHJHSA-N 2 1 387.955 3.970 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000131082808 885472167 /nfs/dbraw/zinc/47/21/67/885472167.db2.gz JEXGJNKIJQOZQQ-UHFFFAOYSA-N 2 1 397.611 3.677 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)C2)CC1 ZINC000861511253 885596255 /nfs/dbraw/zinc/59/62/55/885596255.db2.gz YVVZPIJLRCENGV-FQEVSTJZSA-N 2 1 389.971 3.639 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)C2)CC1 ZINC000861511253 885596264 /nfs/dbraw/zinc/59/62/64/885596264.db2.gz YVVZPIJLRCENGV-FQEVSTJZSA-N 2 1 389.971 3.639 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506338 885840814 /nfs/dbraw/zinc/84/08/14/885840814.db2.gz MBOQOMKICUXYNJ-MOPGFXCFSA-N 2 1 378.520 3.906 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@@H+](C4CC4)C3)c2c1C ZINC000498911353 886104259 /nfs/dbraw/zinc/10/42/59/886104259.db2.gz PRPAYVHQFFNYOI-KRWDZBQOSA-N 2 1 385.581 3.577 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@H+](C4CC4)C3)c2c1C ZINC000498911353 886104262 /nfs/dbraw/zinc/10/42/62/886104262.db2.gz PRPAYVHQFFNYOI-KRWDZBQOSA-N 2 1 385.581 3.577 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CN2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000808174491 886110844 /nfs/dbraw/zinc/11/08/44/886110844.db2.gz HHAFRWUNKNHYTI-UHFFFAOYSA-N 2 1 378.948 3.593 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569030 886127484 /nfs/dbraw/zinc/12/74/84/886127484.db2.gz VOQKFSYIDNHSRH-UTKZUKDTSA-N 2 1 397.567 3.622 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569030 886127500 /nfs/dbraw/zinc/12/75/00/886127500.db2.gz VOQKFSYIDNHSRH-UTKZUKDTSA-N 2 1 397.567 3.622 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569030 886127524 /nfs/dbraw/zinc/12/75/24/886127524.db2.gz VOQKFSYIDNHSRH-UTKZUKDTSA-N 2 1 397.567 3.622 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498941493 886157056 /nfs/dbraw/zinc/15/70/56/886157056.db2.gz KCMDIRFGEZMIEK-NZQKXSOJSA-N 2 1 379.504 3.744 20 0 GHADMP C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556814148 886230113 /nfs/dbraw/zinc/23/01/13/886230113.db2.gz YIXBBHKTFRERQG-WMZOPIPTSA-N 2 1 387.474 3.794 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869859 886423934 /nfs/dbraw/zinc/42/39/34/886423934.db2.gz KJGANFLIBQJUCJ-PKTZIBPZSA-N 2 1 379.548 3.933 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858426 886478784 /nfs/dbraw/zinc/47/87/84/886478784.db2.gz JRUZBAPZFQMDMP-HXUWFJFHSA-N 2 1 379.548 3.556 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858426 886478789 /nfs/dbraw/zinc/47/87/89/886478789.db2.gz JRUZBAPZFQMDMP-HXUWFJFHSA-N 2 1 379.548 3.556 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858426 886478793 /nfs/dbraw/zinc/47/87/93/886478793.db2.gz JRUZBAPZFQMDMP-HXUWFJFHSA-N 2 1 379.548 3.556 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001168322944 886487863 /nfs/dbraw/zinc/48/78/63/886487863.db2.gz KCPXAKMSYLXUKZ-UHYCVJNDSA-N 2 1 396.501 3.631 20 0 GHADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536511791 886606275 /nfs/dbraw/zinc/60/62/75/886606275.db2.gz VONUVIFRPXWEIR-QFBILLFUSA-N 2 1 398.954 3.503 20 0 GHADMP COCCC[N@@H+](C1CCC([NH+](C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001168327943 886710869 /nfs/dbraw/zinc/71/08/69/886710869.db2.gz UMIXQTSEOMJVRA-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP C[C@@H](NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000119551484 886742868 /nfs/dbraw/zinc/74/28/68/886742868.db2.gz GVYZWYGTURFUGF-LJQANCHMSA-N 2 1 388.600 3.516 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168252219 886749839 /nfs/dbraw/zinc/74/98/39/886749839.db2.gz OHXSEBKJWICJOR-YPAWHYETSA-N 2 1 380.532 3.943 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(F)c(F)cc3F)CC2)CC1 ZINC000537620791 886820747 /nfs/dbraw/zinc/82/07/47/886820747.db2.gz ZVYLTOGKANBQED-UHFFFAOYSA-N 2 1 383.502 3.732 20 0 GHADMP Brc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc2c1OCCCO2 ZINC000236597976 886869156 /nfs/dbraw/zinc/86/91/56/886869156.db2.gz YJVGPSNYPXIGBF-UHFFFAOYSA-N 2 1 383.330 3.576 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000359893563 887612421 /nfs/dbraw/zinc/61/24/21/887612421.db2.gz DUIRGLOARRIGBX-JZWVFAODSA-N 2 1 377.532 3.985 20 0 GHADMP C[C@H]1CN(c2ccccc2CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459360742 887672369 /nfs/dbraw/zinc/67/23/69/887672369.db2.gz YSLQKCAMBMIFGC-GMAHTHKFSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@H]1CN(c2ccccc2C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000459360742 887672381 /nfs/dbraw/zinc/67/23/81/887672381.db2.gz YSLQKCAMBMIFGC-GMAHTHKFSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459360742 887672419 /nfs/dbraw/zinc/67/24/19/887672419.db2.gz YSLQKCAMBMIFGC-GMAHTHKFSA-N 2 1 393.575 3.866 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532682580 887719601 /nfs/dbraw/zinc/71/96/01/887719601.db2.gz CYFURWWODDWJAY-QFIPXVFZSA-N 2 1 392.547 3.837 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703375 887721513 /nfs/dbraw/zinc/72/15/13/887721513.db2.gz JTTVIMICIVXCEL-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703375 887721526 /nfs/dbraw/zinc/72/15/26/887721526.db2.gz JTTVIMICIVXCEL-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000809703375 887721536 /nfs/dbraw/zinc/72/15/36/887721536.db2.gz JTTVIMICIVXCEL-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000809703375 887721547 /nfs/dbraw/zinc/72/15/47/887721547.db2.gz JTTVIMICIVXCEL-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000809720057 887744127 /nfs/dbraw/zinc/74/41/27/887744127.db2.gz WRRLZRZYPLMCOB-NRFANRHFSA-N 2 1 397.523 3.599 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001131900838 887888552 /nfs/dbraw/zinc/88/85/52/887888552.db2.gz KYROLYAHOUKPJU-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120394875 888197074 /nfs/dbraw/zinc/19/70/74/888197074.db2.gz KYGNULLDMWNWMJ-AVRDEDQJSA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120394875 888197079 /nfs/dbraw/zinc/19/70/79/888197079.db2.gz KYGNULLDMWNWMJ-AVRDEDQJSA-N 2 1 384.520 3.678 20 0 GHADMP CN1c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000810177517 888261546 /nfs/dbraw/zinc/26/15/46/888261546.db2.gz HCUSMKSDASKLRT-QFIPXVFZSA-N 2 1 391.559 3.988 20 0 GHADMP O=C(c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1)N1CCCC1 ZINC000865447595 888359496 /nfs/dbraw/zinc/35/94/96/888359496.db2.gz VPDYABFUMQQRCX-HSZRJFAPSA-N 2 1 391.559 3.577 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810328854 888399702 /nfs/dbraw/zinc/39/97/02/888399702.db2.gz GEQONPHOGBGETP-HSZRJFAPSA-N 2 1 389.559 3.570 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810328854 888399714 /nfs/dbraw/zinc/39/97/14/888399714.db2.gz GEQONPHOGBGETP-HSZRJFAPSA-N 2 1 389.559 3.570 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810328854 888399726 /nfs/dbraw/zinc/39/97/26/888399726.db2.gz GEQONPHOGBGETP-HSZRJFAPSA-N 2 1 389.559 3.570 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1)CC(C)C ZINC000810877949 888948539 /nfs/dbraw/zinc/94/85/39/888948539.db2.gz OTEADDLQBIKVGS-QFIPXVFZSA-N 2 1 383.596 3.806 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1)CC(C)C ZINC000810877949 888948543 /nfs/dbraw/zinc/94/85/43/888948543.db2.gz OTEADDLQBIKVGS-QFIPXVFZSA-N 2 1 383.596 3.806 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1)CC(C)C ZINC000810877949 888948549 /nfs/dbraw/zinc/94/85/49/888948549.db2.gz OTEADDLQBIKVGS-QFIPXVFZSA-N 2 1 383.596 3.806 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000868106391 889296078 /nfs/dbraw/zinc/29/60/78/889296078.db2.gz BAWHUGLWRYLQLA-FNLKRUPLSA-N 2 1 381.524 3.707 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868184287 889340208 /nfs/dbraw/zinc/34/02/08/889340208.db2.gz LYBFHKIFUNVOKZ-FBEWHJACSA-N 2 1 378.520 3.533 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868183821 889340270 /nfs/dbraw/zinc/34/02/70/889340270.db2.gz DJKATNAIOYQMDO-AJSBUHFISA-N 2 1 392.547 3.877 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168515092 889507040 /nfs/dbraw/zinc/50/70/40/889507040.db2.gz QNPXSOSAOMZFSY-FXUDXRNXSA-N 2 1 393.494 3.779 20 0 GHADMP COc1ccc2oc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)cc2c1 ZINC000124273810 889571912 /nfs/dbraw/zinc/57/19/12/889571912.db2.gz XPSNSHDNWQQWRT-KRWDZBQOSA-N 2 1 380.488 3.952 20 0 GHADMP COc1ccc2oc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)cc2c1 ZINC000124273810 889571922 /nfs/dbraw/zinc/57/19/22/889571922.db2.gz XPSNSHDNWQQWRT-KRWDZBQOSA-N 2 1 380.488 3.952 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)CC(C)(C)c3ccc(F)cc3)CC2)CC1 ZINC000868923379 889661010 /nfs/dbraw/zinc/66/10/10/889661010.db2.gz FFGMDTUZTLDWQY-UHFFFAOYSA-N 2 1 389.559 3.512 20 0 GHADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(-c3ccccc3Cl)cs2)C1 ZINC000774774999 913386600 /nfs/dbraw/zinc/38/66/00/913386600.db2.gz JNARTMQBWXROKM-MRXNPFEDSA-N 2 1 394.928 3.571 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(-c3ccccc3Cl)cs2)C1 ZINC000774774999 913386609 /nfs/dbraw/zinc/38/66/09/913386609.db2.gz JNARTMQBWXROKM-MRXNPFEDSA-N 2 1 394.928 3.571 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000125125327 889881631 /nfs/dbraw/zinc/88/16/31/889881631.db2.gz PBOOLHFKVQJOFC-JKSUJKDBSA-N 2 1 391.357 3.849 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000125314194 889950031 /nfs/dbraw/zinc/95/00/31/889950031.db2.gz BTKKGAINFNSIFW-SFHVURJKSA-N 2 1 383.540 3.908 20 0 GHADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)Cn1nc(C(F)(F)F)cc1C ZINC000811751011 889959406 /nfs/dbraw/zinc/95/94/06/889959406.db2.gz BSKBAWOMSSZOJB-UHFFFAOYSA-N 2 1 381.446 3.801 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125356215 889965460 /nfs/dbraw/zinc/96/54/60/889965460.db2.gz HLKZMNKNFQKMDW-JXXFODFXSA-N 2 1 383.502 3.988 20 0 GHADMP CCCCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000064507963 889976020 /nfs/dbraw/zinc/97/60/20/889976020.db2.gz AVJFZYLSURBJCF-UHFFFAOYSA-N 2 1 375.532 3.561 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000644635989 913417343 /nfs/dbraw/zinc/41/73/43/913417343.db2.gz XJSVEYQWQFCSCP-GZGNHOFSSA-N 2 1 394.559 3.553 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890306 890567011 /nfs/dbraw/zinc/56/70/11/890567011.db2.gz LFBMNKCMZSGSCS-RNIPGJKVSA-N 2 1 397.485 3.722 20 0 GHADMP c1ccc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@H]3CCOC[C@H]23)cc1 ZINC000420970254 890586791 /nfs/dbraw/zinc/58/67/91/890586791.db2.gz ZUBRRFUBVGRQQA-GVAUOCQISA-N 2 1 392.543 3.523 20 0 GHADMP c1ccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@H]3CCOC[C@H]23)cc1 ZINC000420970254 890586798 /nfs/dbraw/zinc/58/67/98/890586798.db2.gz ZUBRRFUBVGRQQA-GVAUOCQISA-N 2 1 392.543 3.523 20 0 GHADMP CN(C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000533563199 890852119 /nfs/dbraw/zinc/85/21/19/890852119.db2.gz CJJOHIHGXQOANU-KRWDZBQOSA-N 2 1 383.355 3.580 20 0 GHADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000533563199 890852135 /nfs/dbraw/zinc/85/21/35/890852135.db2.gz CJJOHIHGXQOANU-KRWDZBQOSA-N 2 1 383.355 3.580 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CCC[N@H+](C(C)(C)C)CC3)CC2)CC1 ZINC000533565723 890862355 /nfs/dbraw/zinc/86/23/55/890862355.db2.gz BEXOETWVJUKAIS-UHFFFAOYSA-N 2 1 378.605 3.545 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246335989 891034968 /nfs/dbraw/zinc/03/49/68/891034968.db2.gz OPRUOGQTDUMTOJ-UGKGYDQZSA-N 2 1 397.567 3.666 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246335989 891034982 /nfs/dbraw/zinc/03/49/82/891034982.db2.gz OPRUOGQTDUMTOJ-UGKGYDQZSA-N 2 1 397.567 3.666 20 0 GHADMP Brc1cccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCOC2)c1 ZINC000872018729 891118063 /nfs/dbraw/zinc/11/80/63/891118063.db2.gz PNLSXGQTAMGFKX-DNVCBOLYSA-N 2 1 379.342 3.743 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872026215 891124565 /nfs/dbraw/zinc/12/45/65/891124565.db2.gz ZFVGJPULYKJSBQ-AEFFLSMTSA-N 2 1 378.314 3.712 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000246499541 891277039 /nfs/dbraw/zinc/27/70/39/891277039.db2.gz SJHVJFYQRAUDQQ-IPJJNNNSSA-N 2 1 386.584 3.584 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000128257351 891516692 /nfs/dbraw/zinc/51/66/92/891516692.db2.gz LENGKGQAYJIXSU-OAHLLOKOSA-N 2 1 397.485 3.831 20 0 GHADMP c1sc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1-c1ccncc1 ZINC000873283255 891560057 /nfs/dbraw/zinc/56/00/57/891560057.db2.gz PMAHNTAMKZFYMV-UTKZUKDTSA-N 2 1 378.501 3.551 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccsc1 ZINC000128301645 891602455 /nfs/dbraw/zinc/60/24/55/891602455.db2.gz WSBVZZKEPOWAJL-NEWSRXKRSA-N 2 1 380.602 3.503 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497507271 891758411 /nfs/dbraw/zinc/75/84/11/891758411.db2.gz VBLFWFHIMKPQEF-CMKODMSKSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497507271 891758419 /nfs/dbraw/zinc/75/84/19/891758419.db2.gz VBLFWFHIMKPQEF-CMKODMSKSA-N 2 1 381.923 3.509 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128416207 891879685 /nfs/dbraw/zinc/87/96/85/891879685.db2.gz MLVOPZHRLNMXRG-DEOSSOPVSA-N 2 1 399.554 3.735 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)[C@H]2CCC[C@@H]21 ZINC000813877764 892057570 /nfs/dbraw/zinc/05/75/70/892057570.db2.gz CYFUDSWHPCMOJG-YRXWBPOGSA-N 2 1 377.573 3.771 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547050 892467466 /nfs/dbraw/zinc/46/74/66/892467466.db2.gz SXPPYUPAFQAQLV-VQTJNVASSA-N 2 1 392.613 3.695 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170750247 892829353 /nfs/dbraw/zinc/82/93/53/892829353.db2.gz KCNXJSIMHYFGBX-OWZKRDHZSA-N 2 1 395.591 3.671 20 0 GHADMP C[C@H](Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713699 892831972 /nfs/dbraw/zinc/83/19/72/892831972.db2.gz UNBWKNIGAHRKGT-PZJWPPBQSA-N 2 1 394.563 3.899 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498070325 893105592 /nfs/dbraw/zinc/10/55/92/893105592.db2.gz CILIZVHGFZSPQB-IMFGXOCKSA-N 2 1 397.485 3.594 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000747978066 893169556 /nfs/dbraw/zinc/16/95/56/893169556.db2.gz DXNAKCMZGNXKIH-UHFFFAOYSA-N 2 1 377.532 3.629 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000162789049 893192738 /nfs/dbraw/zinc/19/27/38/893192738.db2.gz WGASOYYJFVLNPH-DXIQSLLYSA-N 2 1 377.532 3.572 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000162789049 893192752 /nfs/dbraw/zinc/19/27/52/893192752.db2.gz WGASOYYJFVLNPH-DXIQSLLYSA-N 2 1 377.532 3.572 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@@H]21 ZINC000162789049 893192757 /nfs/dbraw/zinc/19/27/57/893192757.db2.gz WGASOYYJFVLNPH-DXIQSLLYSA-N 2 1 377.532 3.572 20 0 GHADMP O=C(/C=C\[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000876757982 893316147 /nfs/dbraw/zinc/31/61/47/893316147.db2.gz GZGPLQWYVNWKMK-ZDTYVGOBSA-N 2 1 396.362 3.630 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563086536 893354618 /nfs/dbraw/zinc/35/46/18/893354618.db2.gz MUNDQIKDEMKTPU-MNPQWXMBSA-N 2 1 393.934 3.509 20 0 GHADMP FC(F)(F)c1cnc(OCCC[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000459453621 893549496 /nfs/dbraw/zinc/54/94/96/893549496.db2.gz MTDVOJRPLRJSKE-UHFFFAOYSA-N 2 1 377.838 3.739 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645523 893741164 /nfs/dbraw/zinc/74/11/64/893741164.db2.gz NZLCCTMBUZKHLF-IBGZPJMESA-N 2 1 390.478 3.908 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645523 893741174 /nfs/dbraw/zinc/74/11/74/893741174.db2.gz NZLCCTMBUZKHLF-IBGZPJMESA-N 2 1 390.478 3.908 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645523 893741183 /nfs/dbraw/zinc/74/11/83/893741183.db2.gz NZLCCTMBUZKHLF-IBGZPJMESA-N 2 1 390.478 3.908 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000563659256 894034122 /nfs/dbraw/zinc/03/41/22/894034122.db2.gz ZMCFKFRTFYQUQC-QPTUXGOLSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000563659256 894034135 /nfs/dbraw/zinc/03/41/35/894034135.db2.gz ZMCFKFRTFYQUQC-QPTUXGOLSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000563659256 894034145 /nfs/dbraw/zinc/03/41/45/894034145.db2.gz ZMCFKFRTFYQUQC-QPTUXGOLSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000563659256 894034155 /nfs/dbraw/zinc/03/41/55/894034155.db2.gz ZMCFKFRTFYQUQC-QPTUXGOLSA-N 2 1 380.532 3.681 20 0 GHADMP CC[N@@H+](CCCC1CCN(Cc2nc(C)c(C)[nH]2)CC1)Cc1nc(C)c(C)[nH]1 ZINC000878329548 894197297 /nfs/dbraw/zinc/19/72/97/894197297.db2.gz OMWZRZRCTPGNJB-UHFFFAOYSA-N 2 1 386.588 3.881 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607210 894433752 /nfs/dbraw/zinc/43/37/52/894433752.db2.gz UNCJYAGGWRGTDV-VWNXMTODSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607210 894433758 /nfs/dbraw/zinc/43/37/58/894433758.db2.gz UNCJYAGGWRGTDV-VWNXMTODSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607210 894433764 /nfs/dbraw/zinc/43/37/64/894433764.db2.gz UNCJYAGGWRGTDV-VWNXMTODSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@H]4CCC5(CCOCC5)O4)C3)CC2)cc1 ZINC000878648719 894484122 /nfs/dbraw/zinc/48/41/22/894484122.db2.gz STQUDUBCJYEISH-JOCHJYFZSA-N 2 1 384.564 3.703 20 0 GHADMP CN(C)c1ccc(N2CCC(N[C@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000127422933 894735280 /nfs/dbraw/zinc/73/52/80/894735280.db2.gz MUZBKOPVXSPQJN-QFIPXVFZSA-N 2 1 375.520 3.824 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC001135596667 894853134 /nfs/dbraw/zinc/85/31/34/894853134.db2.gz GPMNAWHAOIGSAJ-QFIPXVFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544109 894913651 /nfs/dbraw/zinc/91/36/51/894913651.db2.gz XPWDMFXEQQCJGC-IAGOWNOFSA-N 2 1 393.597 3.805 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544109 894913660 /nfs/dbraw/zinc/91/36/60/894913660.db2.gz XPWDMFXEQQCJGC-IAGOWNOFSA-N 2 1 393.597 3.805 20 0 GHADMP CC(C)C[C@H]([NH2+][C@H](C)c1nc(-c2ccccc2)cs1)C(=O)NCC[NH+](C)C ZINC000537447467 894995540 /nfs/dbraw/zinc/99/55/40/894995540.db2.gz VVGLVYSQYWYKJT-AEFFLSMTSA-N 2 1 388.581 3.553 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000564619168 895127498 /nfs/dbraw/zinc/12/74/98/895127498.db2.gz PXPDFTXTLPXLDT-GOTSBHOMSA-N 2 1 383.580 3.752 20 0 GHADMP COc1ccc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1F ZINC000626127304 895254587 /nfs/dbraw/zinc/25/45/87/895254587.db2.gz JXSYZRPBOWTTKN-OAQYLSRUSA-N 2 1 384.495 3.656 20 0 GHADMP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1F ZINC000626127304 895254597 /nfs/dbraw/zinc/25/45/97/895254597.db2.gz JXSYZRPBOWTTKN-OAQYLSRUSA-N 2 1 384.495 3.656 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847235 895280452 /nfs/dbraw/zinc/28/04/52/895280452.db2.gz KZDGEAOOWBZLNU-XUZZJYLKSA-N 2 1 396.575 3.864 20 0 GHADMP CC(C)C[C@H]([NH3+])c1noc([C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000564959618 895323389 /nfs/dbraw/zinc/32/33/89/895323389.db2.gz FBBJUHHOSDEFSF-YJBOKZPZSA-N 2 1 382.430 3.822 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccco3)Cc3ccco3)CC2)CC1 ZINC000565179313 895443883 /nfs/dbraw/zinc/44/38/83/895443883.db2.gz SKQCIWQDGGOTGM-UHFFFAOYSA-N 2 1 399.535 3.598 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000565191952 895452280 /nfs/dbraw/zinc/45/22/80/895452280.db2.gz XTMHTEALCMCGKG-RDPSFJRHSA-N 2 1 393.575 3.916 20 0 GHADMP CN1CCC[C@@H]2[C@H]1CC[NH+]2CCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880137693 895537592 /nfs/dbraw/zinc/53/75/92/895537592.db2.gz JAQSBZRHHSVEBJ-UEQSERJNSA-N 2 1 390.660 3.664 20 0 GHADMP CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C ZINC000880137693 895537599 /nfs/dbraw/zinc/53/75/99/895537599.db2.gz JAQSBZRHHSVEBJ-UEQSERJNSA-N 2 1 390.660 3.664 20 0 GHADMP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C ZINC000880137693 895537606 /nfs/dbraw/zinc/53/76/06/895537606.db2.gz JAQSBZRHHSVEBJ-UEQSERJNSA-N 2 1 390.660 3.664 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1 ZINC000880280674 895610522 /nfs/dbraw/zinc/61/05/22/895610522.db2.gz BWILLJRHEZASFC-UHFFFAOYSA-N 2 1 394.523 3.680 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000565599252 895750468 /nfs/dbraw/zinc/75/04/68/895750468.db2.gz UKRWLXCYOQOGHW-SRYPRDQNSA-N 2 1 393.531 3.743 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000565599252 895750485 /nfs/dbraw/zinc/75/04/85/895750485.db2.gz UKRWLXCYOQOGHW-SRYPRDQNSA-N 2 1 393.531 3.743 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000565626633 895769316 /nfs/dbraw/zinc/76/93/16/895769316.db2.gz PFZAEASJXGGWCB-HXJXPZHGSA-N 2 1 386.486 3.957 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001136147115 896175279 /nfs/dbraw/zinc/17/52/79/896175279.db2.gz RIIGQRYLWFBCBI-XZOQPEGZSA-N 2 1 397.607 3.915 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444234 896317392 /nfs/dbraw/zinc/31/73/92/896317392.db2.gz LCVCYYMWNGDLLF-SYNHAJSKSA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444234 896317401 /nfs/dbraw/zinc/31/74/01/896317401.db2.gz LCVCYYMWNGDLLF-SYNHAJSKSA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444234 896317417 /nfs/dbraw/zinc/31/74/17/896317417.db2.gz LCVCYYMWNGDLLF-SYNHAJSKSA-N 2 1 397.485 3.546 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000818969408 896328735 /nfs/dbraw/zinc/32/87/35/896328735.db2.gz DMZIZESCYZAVOY-LJQANCHMSA-N 2 1 377.326 3.724 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c1 ZINC000818971006 896330301 /nfs/dbraw/zinc/33/03/01/896330301.db2.gz ROPLWYKDKRLVPM-IBGZPJMESA-N 2 1 395.316 3.863 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819183159 896452311 /nfs/dbraw/zinc/45/23/11/896452311.db2.gz UKRJNVJOWCOFLW-KBXCAEBGSA-N 2 1 387.337 3.579 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819284770 896528747 /nfs/dbraw/zinc/52/87/47/896528747.db2.gz UMZQYFCZIMPPEL-XMMPIXPASA-N 2 1 394.563 3.583 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)CCc3ccccc3)cc2)CC1 ZINC000819445050 896679457 /nfs/dbraw/zinc/67/94/57/896679457.db2.gz MVWDZNFKEPEGFD-XMMPIXPASA-N 2 1 381.564 3.870 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000567581716 897270266 /nfs/dbraw/zinc/27/02/66/897270266.db2.gz NCNCHTDTTYVXKH-NIJXNBFTSA-N 2 1 394.559 3.536 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)c(F)c3)CC2)CC1 ZINC000568215472 897681153 /nfs/dbraw/zinc/68/11/53/897681153.db2.gz WRCOBWPKKVYSQT-QGZVFWFLSA-N 2 1 375.532 3.508 20 0 GHADMP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000883585984 897735604 /nfs/dbraw/zinc/73/56/04/897735604.db2.gz BZLZDZSSIPHSBB-HRAATJIYSA-N 2 1 379.508 3.635 20 0 GHADMP FC(F)(F)c1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000568641200 898000819 /nfs/dbraw/zinc/00/08/19/898000819.db2.gz GWQSFPRXTLRMJV-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000568641200 898000832 /nfs/dbraw/zinc/00/08/32/898000832.db2.gz GWQSFPRXTLRMJV-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC000289556510 914238784 /nfs/dbraw/zinc/23/87/84/914238784.db2.gz ACXAWGXDUGNUBE-UHFFFAOYSA-N 2 1 382.430 3.805 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000569236771 898455248 /nfs/dbraw/zinc/45/52/48/898455248.db2.gz CBRCPMKSQGWIIC-KRLBEQFCSA-N 2 1 383.580 3.953 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001136608960 898525684 /nfs/dbraw/zinc/52/56/84/898525684.db2.gz SQGXSYNMPUXHOC-QFIPXVFZSA-N 2 1 385.596 3.664 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001136608960 898525691 /nfs/dbraw/zinc/52/56/91/898525691.db2.gz SQGXSYNMPUXHOC-QFIPXVFZSA-N 2 1 385.596 3.664 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001136608960 898525700 /nfs/dbraw/zinc/52/57/00/898525700.db2.gz SQGXSYNMPUXHOC-QFIPXVFZSA-N 2 1 385.596 3.664 20 0 GHADMP COC[C@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)OCCc2ccccc21 ZINC000569396793 898615733 /nfs/dbraw/zinc/61/57/33/898615733.db2.gz NEVHJRKGTMESDP-KOSHJBKYSA-N 2 1 391.515 3.946 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646622 914277630 /nfs/dbraw/zinc/27/76/30/914277630.db2.gz MOSNHKMPBWRVSN-DEOSSOPVSA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646622 914277640 /nfs/dbraw/zinc/27/76/40/914277640.db2.gz MOSNHKMPBWRVSN-DEOSSOPVSA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646622 914277654 /nfs/dbraw/zinc/27/76/54/914277654.db2.gz MOSNHKMPBWRVSN-DEOSSOPVSA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646622 914277661 /nfs/dbraw/zinc/27/76/61/914277661.db2.gz MOSNHKMPBWRVSN-DEOSSOPVSA-N 2 1 387.531 3.580 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@H]5CCCC[C@@H]5[NH2+]4)n3)cc2F)CC1 ZINC000822950882 898748960 /nfs/dbraw/zinc/74/89/60/898748960.db2.gz FARKEQPKWLXROV-MNEFBYGVSA-N 2 1 399.514 3.611 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@@H](OC)C(C)(C)C3)c2)CC1(C)C ZINC000569545646 898769591 /nfs/dbraw/zinc/76/95/91/898769591.db2.gz LYCBZAWLCULKFV-NHCUHLMSSA-N 2 1 389.584 3.575 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569948201 899037839 /nfs/dbraw/zinc/03/78/39/899037839.db2.gz JYBCSCNBAHTTFC-APTRMMRNSA-N 2 1 381.564 3.798 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045870 899392178 /nfs/dbraw/zinc/39/21/78/899392178.db2.gz SFIPBRINIKLTQX-SXWKCWPCSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045870 899392191 /nfs/dbraw/zinc/39/21/91/899392191.db2.gz SFIPBRINIKLTQX-SXWKCWPCSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045870 899392205 /nfs/dbraw/zinc/39/22/05/899392205.db2.gz SFIPBRINIKLTQX-SXWKCWPCSA-N 2 1 388.983 3.878 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC001136878237 899609245 /nfs/dbraw/zinc/60/92/45/899609245.db2.gz QXPPGIZBNOJWSC-QFIPXVFZSA-N 2 1 390.531 3.590 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(SC)cc3)CC2)CC1 ZINC000570863131 899648623 /nfs/dbraw/zinc/64/86/23/899648623.db2.gz WDIKXFAYWGTGHX-KRWDZBQOSA-N 2 1 389.609 3.782 20 0 GHADMP C[C@H]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824930073 899893743 /nfs/dbraw/zinc/89/37/43/899893743.db2.gz ZZAJHSIDJLPITM-ZWKOTPCHSA-N 2 1 382.556 3.637 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)CC1 ZINC000134682806 900107690 /nfs/dbraw/zinc/10/76/90/900107690.db2.gz WVHOYKBFGUWLGP-OAHLLOKOSA-N 2 1 376.545 3.550 20 0 GHADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000572446529 900194901 /nfs/dbraw/zinc/19/49/01/900194901.db2.gz ZOFKQLVQIIAPMV-LADGPHEKSA-N 2 1 382.548 3.641 20 0 GHADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000572446529 900194908 /nfs/dbraw/zinc/19/49/08/900194908.db2.gz ZOFKQLVQIIAPMV-LADGPHEKSA-N 2 1 382.548 3.641 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC001137044501 900198539 /nfs/dbraw/zinc/19/85/39/900198539.db2.gz ZGVYPIQPBGBCSK-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137044501 900198544 /nfs/dbraw/zinc/19/85/44/900198544.db2.gz ZGVYPIQPBGBCSK-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137044501 900198552 /nfs/dbraw/zinc/19/85/52/900198552.db2.gz ZGVYPIQPBGBCSK-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000825505353 900201898 /nfs/dbraw/zinc/20/18/98/900201898.db2.gz WYNGUHUJFZJXSV-UHFFFAOYSA-N 2 1 381.446 3.572 20 0 GHADMP CN(c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000825504046 900202584 /nfs/dbraw/zinc/20/25/84/900202584.db2.gz MTZKRRRFTZTRHK-QHCPKHFHSA-N 2 1 398.595 3.953 20 0 GHADMP COc1cc(C)cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1OC ZINC000885979864 900663925 /nfs/dbraw/zinc/66/39/25/900663925.db2.gz NUZIOTXVBZBEGQ-UHFFFAOYSA-N 2 1 387.524 3.619 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186315776 914466385 /nfs/dbraw/zinc/46/63/85/914466385.db2.gz DIPXWEKEUNCJIC-HJOGWXRNSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186315776 914466394 /nfs/dbraw/zinc/46/63/94/914466394.db2.gz DIPXWEKEUNCJIC-HJOGWXRNSA-N 2 1 391.559 3.603 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886504010 901092206 /nfs/dbraw/zinc/09/22/06/901092206.db2.gz NUOOEEGHMQEKDS-NNWRFLSQSA-N 2 1 383.580 3.666 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886669575 901216741 /nfs/dbraw/zinc/21/67/41/901216741.db2.gz ATOPKNNKWNAFCX-JXFKEZNVSA-N 2 1 391.943 3.998 20 0 GHADMP C[N@@H+](Cc1ccc(Br)c(Br)c1)C1CCC([NH3+])CC1 ZINC000220323165 901228086 /nfs/dbraw/zinc/22/80/86/901228086.db2.gz UYGRVQLFPDLBQF-UHFFFAOYSA-N 2 1 376.136 3.913 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144194983 901233552 /nfs/dbraw/zinc/23/35/52/901233552.db2.gz LBVFYRCIZYMNSB-UHFFFAOYSA-N 2 1 393.510 3.974 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144194983 901233562 /nfs/dbraw/zinc/23/35/62/901233562.db2.gz LBVFYRCIZYMNSB-UHFFFAOYSA-N 2 1 393.510 3.974 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144194983 901233568 /nfs/dbraw/zinc/23/35/68/901233568.db2.gz LBVFYRCIZYMNSB-UHFFFAOYSA-N 2 1 393.510 3.974 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886711492 901242137 /nfs/dbraw/zinc/24/21/37/901242137.db2.gz XADOXOAYCAMOPW-MDNUFGMLSA-N 2 1 386.580 3.853 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnccc4Cl)CC3)C2)cc1 ZINC001137235241 901382740 /nfs/dbraw/zinc/38/27/40/901382740.db2.gz HTRWBQJMODQXRK-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000576086766 901667305 /nfs/dbraw/zinc/66/73/05/901667305.db2.gz CSRAUKLUFWWYTN-YMPZKCBVSA-N 2 1 382.548 3.543 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576553683 902093099 /nfs/dbraw/zinc/09/30/99/902093099.db2.gz YNVWGUQWBDHBIU-FGCOXFRFSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000576553685 902093559 /nfs/dbraw/zinc/09/35/59/902093559.db2.gz YNVWGUQWBDHBIU-QDSKXPNFSA-N 2 1 391.559 3.660 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000290247895 914596579 /nfs/dbraw/zinc/59/65/79/914596579.db2.gz JROSDKQGUYFXBU-LJQANCHMSA-N 2 1 377.916 3.543 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc(OC)c(F)c2)CC3)c1 ZINC001144460460 902230805 /nfs/dbraw/zinc/23/08/05/902230805.db2.gz KWQNCCSOWPOHKG-UHFFFAOYSA-N 2 1 399.510 3.726 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cc(F)cc(F)c1 ZINC000576937193 902372943 /nfs/dbraw/zinc/37/29/43/902372943.db2.gz YEOHQJLBSOCXAH-HNNXBMFYSA-N 2 1 393.503 3.857 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(F)cc(F)c1 ZINC000576937193 902372954 /nfs/dbraw/zinc/37/29/54/902372954.db2.gz YEOHQJLBSOCXAH-HNNXBMFYSA-N 2 1 393.503 3.857 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000846222332 902798479 /nfs/dbraw/zinc/79/84/79/902798479.db2.gz HIABBZSUKDRRDT-XJUOHMSHSA-N 2 1 393.531 3.510 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577489591 902816771 /nfs/dbraw/zinc/81/67/71/902816771.db2.gz YHGPIWBOUYRISO-OXQOHEQNSA-N 2 1 395.950 3.887 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000600888927 903052575 /nfs/dbraw/zinc/05/25/75/903052575.db2.gz MZQAAMCLDFBREN-JJOUBASASA-N 2 1 398.595 3.744 20 0 GHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000779025487 903123041 /nfs/dbraw/zinc/12/30/41/903123041.db2.gz SDDDPEHNLMKENW-LPHOPBHVSA-N 2 1 383.458 3.711 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000779047525 903483630 /nfs/dbraw/zinc/48/36/30/903483630.db2.gz XIPSQDOZOYNOTL-UXHICEINSA-N 2 1 384.524 3.574 20 0 GHADMP Cc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000290604509 914753591 /nfs/dbraw/zinc/75/35/91/914753591.db2.gz RYSHKHDBDSJRKH-UHFFFAOYSA-N 2 1 392.547 3.519 20 0 GHADMP CC(C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[NH+]1CCC(C)CC1 ZINC000646668613 914759735 /nfs/dbraw/zinc/75/97/35/914759735.db2.gz AKWLOJKKRRDAJI-QHCPKHFHSA-N 2 1 396.579 3.642 20 0 GHADMP CC(C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[NH+]1CCC(C)CC1 ZINC000646668613 914759748 /nfs/dbraw/zinc/75/97/48/914759748.db2.gz AKWLOJKKRRDAJI-QHCPKHFHSA-N 2 1 396.579 3.642 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000779079492 903987892 /nfs/dbraw/zinc/98/78/92/903987892.db2.gz SKIBLUZLVBXWCR-WDYCEAGBSA-N 2 1 390.572 3.938 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000578791256 904124928 /nfs/dbraw/zinc/12/49/28/904124928.db2.gz YSYHTRMIXNXTRJ-QFIPXVFZSA-N 2 1 396.535 3.598 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000578791256 904124932 /nfs/dbraw/zinc/12/49/32/904124932.db2.gz YSYHTRMIXNXTRJ-QFIPXVFZSA-N 2 1 396.535 3.598 20 0 GHADMP C[C@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001299329371 904322047 /nfs/dbraw/zinc/32/20/47/904322047.db2.gz LQLWAFLQQXTRSR-SFHVURJKSA-N 2 1 376.504 3.637 20 0 GHADMP C[C@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001299329371 904322062 /nfs/dbraw/zinc/32/20/62/904322062.db2.gz LQLWAFLQQXTRSR-SFHVURJKSA-N 2 1 376.504 3.637 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171482073 904725638 /nfs/dbraw/zinc/72/56/38/904725638.db2.gz KWEDRQGCAXLCDI-ZRCGQRJVSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171482073 904725649 /nfs/dbraw/zinc/72/56/49/904725649.db2.gz KWEDRQGCAXLCDI-ZRCGQRJVSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171482073 904725686 /nfs/dbraw/zinc/72/56/86/904725686.db2.gz KWEDRQGCAXLCDI-ZRCGQRJVSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCCC2)CC1(C)C ZINC001171629695 904851138 /nfs/dbraw/zinc/85/11/38/904851138.db2.gz CJCWROFRGHKMFD-OAQYLSRUSA-N 2 1 385.596 3.851 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CC1(C)C ZINC001171635012 904922480 /nfs/dbraw/zinc/92/24/80/904922480.db2.gz KQDQUAIJPMDINU-XMMPIXPASA-N 2 1 398.595 3.690 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)CC1(C)C ZINC001171638613 904928414 /nfs/dbraw/zinc/92/84/14/904928414.db2.gz XGVCREQPZWPESL-UHFFFAOYSA-N 2 1 398.595 3.661 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1(C)C ZINC001171641716 904932235 /nfs/dbraw/zinc/93/22/35/904932235.db2.gz UPZOPIDTOSSUMH-AWEZNQCLSA-N 2 1 386.462 3.600 20 0 GHADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccc(Br)cc2)C[N@H+]1Cc1ccccc1 ZINC001171731618 904958770 /nfs/dbraw/zinc/95/87/70/904958770.db2.gz CHJDBDYNDSCZBC-CDHQVMDDSA-N 2 1 388.353 3.702 20 0 GHADMP COc1cccc(N([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001171760641 904995620 /nfs/dbraw/zinc/99/56/20/904995620.db2.gz YUEKVIKMZJXVIE-CVDCTZTESA-N 2 1 379.548 3.917 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171762687 905000266 /nfs/dbraw/zinc/00/02/66/905000266.db2.gz LHXHGGXOHQUSHQ-HVHOJJEHSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CN1Cc1ccccc1 ZINC001171762687 905000283 /nfs/dbraw/zinc/00/02/83/905000283.db2.gz LHXHGGXOHQUSHQ-HVHOJJEHSA-N 2 1 375.560 3.713 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171907603 905138997 /nfs/dbraw/zinc/13/89/97/905138997.db2.gz XQMSRGZIFSXIQM-NRFANRHFSA-N 2 1 392.547 3.643 20 0 GHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001171967715 905175859 /nfs/dbraw/zinc/17/58/59/905175859.db2.gz SHZGCMZIHSGYLV-KRWDZBQOSA-N 2 1 383.502 3.596 20 0 GHADMP COC(=O)c1cccc(C(=[NH2+])N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974201 905219926 /nfs/dbraw/zinc/21/99/26/905219926.db2.gz DPDRYCAVAFQDFP-FQEVSTJZSA-N 2 1 379.504 3.831 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977496 905223285 /nfs/dbraw/zinc/22/32/85/905223285.db2.gz BRDYDNGFWNAAMA-JTHBVZDNSA-N 2 1 378.564 3.689 20 0 GHADMP CC1(C)C[C@H](NC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977345 905224236 /nfs/dbraw/zinc/22/42/36/905224236.db2.gz AZYCSFDTEFLPJC-XMMPIXPASA-N 2 1 399.623 3.910 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C)C1=O ZINC001171978920 905226845 /nfs/dbraw/zinc/22/68/45/905226845.db2.gz FULLGRODXWRKFI-LEEZEASISA-N 2 1 383.580 3.620 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C)C1=O ZINC001171978920 905226862 /nfs/dbraw/zinc/22/68/62/905226862.db2.gz FULLGRODXWRKFI-LEEZEASISA-N 2 1 383.580 3.620 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C)C1=O ZINC001171978920 905226878 /nfs/dbraw/zinc/22/68/78/905226878.db2.gz FULLGRODXWRKFI-LEEZEASISA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986657 905245041 /nfs/dbraw/zinc/24/50/41/905245041.db2.gz KEAHMZHFNKJCRK-SFTDATJTSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986657 905245055 /nfs/dbraw/zinc/24/50/55/905245055.db2.gz KEAHMZHFNKJCRK-SFTDATJTSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986657 905245068 /nfs/dbraw/zinc/24/50/68/905245068.db2.gz KEAHMZHFNKJCRK-SFTDATJTSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986657 905245083 /nfs/dbraw/zinc/24/50/83/905245083.db2.gz KEAHMZHFNKJCRK-SFTDATJTSA-N 2 1 386.584 3.602 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(Oc3ccncn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987150 905248718 /nfs/dbraw/zinc/24/87/18/905248718.db2.gz PQSZYDZQXDUFDQ-HXUWFJFHSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H](N2CC([NH+]3CCC(F)(F)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987926 905251739 /nfs/dbraw/zinc/25/17/39/905251739.db2.gz MDQWJNQVBHIOPS-LJQANCHMSA-N 2 1 377.523 3.845 20 0 GHADMP CC1(C)C[C@H](N2CC([NH+]3CCC(F)(F)CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987926 905251742 /nfs/dbraw/zinc/25/17/42/905251742.db2.gz MDQWJNQVBHIOPS-LJQANCHMSA-N 2 1 377.523 3.845 20 0 GHADMP CCN1CC[C@@H]([NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)CC1=O ZINC001172043386 905267979 /nfs/dbraw/zinc/26/79/79/905267979.db2.gz NOYLWGTUASLGBM-JOCHJYFZSA-N 2 1 383.580 3.684 20 0 GHADMP c1cn(-c2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)nn1 ZINC001172071883 905276983 /nfs/dbraw/zinc/27/69/83/905276983.db2.gz AARPLNBPVXHYTH-VILGAWFOSA-N 2 1 387.531 3.943 20 0 GHADMP FC1(F)CC[NH+](C2CN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)CC1 ZINC001172073622 905282328 /nfs/dbraw/zinc/28/23/28/905282328.db2.gz BABYPYDSRQDIDH-AERCQKQUSA-N 2 1 389.534 3.987 20 0 GHADMP FC1(F)CC[NH+](C2CN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)CC1 ZINC001172073622 905282343 /nfs/dbraw/zinc/28/23/43/905282343.db2.gz BABYPYDSRQDIDH-AERCQKQUSA-N 2 1 389.534 3.987 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCOc2ccc4c(c2)OCO4)C3)cc1 ZINC001172074037 905282977 /nfs/dbraw/zinc/28/29/77/905282977.db2.gz SVBOSDGDDTVXLW-MZADTFQBSA-N 2 1 394.515 3.969 20 0 GHADMP CC[NH+](CC)CCN1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076565 905288051 /nfs/dbraw/zinc/28/80/51/905288051.db2.gz FZIISOKTNCWIQJ-LNWKWYTESA-N 2 1 398.639 3.532 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090981 905310466 /nfs/dbraw/zinc/31/04/66/905310466.db2.gz YXXRFPQNISXXAH-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090981 905310477 /nfs/dbraw/zinc/31/04/77/905310477.db2.gz YXXRFPQNISXXAH-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090981 905310490 /nfs/dbraw/zinc/31/04/90/905310490.db2.gz YXXRFPQNISXXAH-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090981 905310501 /nfs/dbraw/zinc/31/05/01/905310501.db2.gz YXXRFPQNISXXAH-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090816 905311801 /nfs/dbraw/zinc/31/18/01/905311801.db2.gz XIZASHQJGVYAND-KAOXLYBCSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090816 905311816 /nfs/dbraw/zinc/31/18/16/905311816.db2.gz XIZASHQJGVYAND-KAOXLYBCSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090816 905311833 /nfs/dbraw/zinc/31/18/33/905311833.db2.gz XIZASHQJGVYAND-KAOXLYBCSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090816 905311845 /nfs/dbraw/zinc/31/18/45/905311845.db2.gz XIZASHQJGVYAND-KAOXLYBCSA-N 2 1 392.547 3.906 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098656 905319215 /nfs/dbraw/zinc/31/92/15/905319215.db2.gz GJPZQVFQQGUWBK-NXMWLWCLSA-N 2 1 391.600 3.875 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CCN(Cc4cccnc4)C2)C3)cc1 ZINC001172064318 905327057 /nfs/dbraw/zinc/32/70/57/905327057.db2.gz AAXVALNYZRHLTG-JBXUNAHCSA-N 2 1 390.575 3.831 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC1)C2 ZINC001172130053 905344433 /nfs/dbraw/zinc/34/44/33/905344433.db2.gz GEWFYIZYGZVAPW-YDZRNGNQSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nnc(-c3ccccc3-c3ccc(C[NH3+])cc3)n1)C2 ZINC001172106963 905355960 /nfs/dbraw/zinc/35/59/60/905355960.db2.gz QZAUWOXJZOUFMD-PMOLBWCYSA-N 2 1 388.519 3.654 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115522 905369481 /nfs/dbraw/zinc/36/94/81/905369481.db2.gz BSDCQPODSMTWSF-AANQFLQQSA-N 2 1 395.591 3.559 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115522 905369500 /nfs/dbraw/zinc/36/95/00/905369500.db2.gz BSDCQPODSMTWSF-AANQFLQQSA-N 2 1 395.591 3.559 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115522 905369516 /nfs/dbraw/zinc/36/95/16/905369516.db2.gz BSDCQPODSMTWSF-AANQFLQQSA-N 2 1 395.591 3.559 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1)C2 ZINC001172118995 905375513 /nfs/dbraw/zinc/37/55/13/905375513.db2.gz UQKFGFWOXWEDFC-CUDBPUKSSA-N 2 1 398.572 3.784 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1)C2 ZINC001172118995 905375521 /nfs/dbraw/zinc/37/55/21/905375521.db2.gz UQKFGFWOXWEDFC-CUDBPUKSSA-N 2 1 398.572 3.784 20 0 GHADMP CNC(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001172121762 905380316 /nfs/dbraw/zinc/38/03/16/905380316.db2.gz MFUOANIPKJBRPC-MXEMCNAFSA-N 2 1 395.591 3.659 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001172361555 905529070 /nfs/dbraw/zinc/52/90/70/905529070.db2.gz NZRBQWOUVDFIRM-ROUUACIJSA-N 2 1 376.541 3.621 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000175456215 905569205 /nfs/dbraw/zinc/56/92/05/905569205.db2.gz TWABOXFYOVMBNR-RXVVDRJESA-N 2 1 398.551 3.536 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000175456215 905569219 /nfs/dbraw/zinc/56/92/19/905569219.db2.gz TWABOXFYOVMBNR-RXVVDRJESA-N 2 1 398.551 3.536 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000175456215 905569228 /nfs/dbraw/zinc/56/92/28/905569228.db2.gz TWABOXFYOVMBNR-RXVVDRJESA-N 2 1 398.551 3.536 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000175456215 905569242 /nfs/dbraw/zinc/56/92/42/905569242.db2.gz TWABOXFYOVMBNR-RXVVDRJESA-N 2 1 398.551 3.536 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001172467342 905578952 /nfs/dbraw/zinc/57/89/52/905578952.db2.gz QMFVURKHDVFNQO-IFMALSPDSA-N 2 1 389.584 3.588 20 0 GHADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520743 905581577 /nfs/dbraw/zinc/58/15/77/905581577.db2.gz YTRZPQLBYPCSBG-KMDXXIMOSA-N 2 1 391.559 3.778 20 0 GHADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520743 905581594 /nfs/dbraw/zinc/58/15/94/905581594.db2.gz YTRZPQLBYPCSBG-KMDXXIMOSA-N 2 1 391.559 3.778 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC[C@H]2C1 ZINC001172531900 905594780 /nfs/dbraw/zinc/59/47/80/905594780.db2.gz WBJDJNNIMVKFOC-ONTIZHBOSA-N 2 1 381.564 3.534 20 0 GHADMP c1ccc([C@@H]2CC[C@H]([NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561145 905625067 /nfs/dbraw/zinc/62/50/67/905625067.db2.gz OHYXFQLGUOUUAQ-ZKGSSEMHSA-N 2 1 391.559 3.941 20 0 GHADMP c1ccc([C@@H]2CC[C@H]([N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561145 905625072 /nfs/dbraw/zinc/62/50/72/905625072.db2.gz OHYXFQLGUOUUAQ-ZKGSSEMHSA-N 2 1 391.559 3.941 20 0 GHADMP c1ccc([C@@H]2CC[C@H]([N@@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561145 905625092 /nfs/dbraw/zinc/62/50/92/905625092.db2.gz OHYXFQLGUOUUAQ-ZKGSSEMHSA-N 2 1 391.559 3.941 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172536214 905639780 /nfs/dbraw/zinc/63/97/80/905639780.db2.gz NAFYHELIOGCQPN-RJGXRXQPSA-N 2 1 385.596 3.981 20 0 GHADMP c1cnn(Cc2cnc3n2CC[N@@H+]([C@H]2CCC[C@@H](c4ccccc4)C2)CC3)c1 ZINC001172544150 905648997 /nfs/dbraw/zinc/64/89/97/905648997.db2.gz RMLDGSLZHQQACP-RTWAWAEBSA-N 2 1 375.520 3.712 20 0 GHADMP COC(=O)N1CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001172737173 905782465 /nfs/dbraw/zinc/78/24/65/905782465.db2.gz HWHGEJXDBPUUTO-FFZOFVMBSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)N1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001172737173 905782476 /nfs/dbraw/zinc/78/24/76/905782476.db2.gz HWHGEJXDBPUUTO-FFZOFVMBSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)N1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001172737173 905782485 /nfs/dbraw/zinc/78/24/85/905782485.db2.gz HWHGEJXDBPUUTO-FFZOFVMBSA-N 2 1 391.581 3.511 20 0 GHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C1 ZINC001172933932 906002500 /nfs/dbraw/zinc/00/25/00/906002500.db2.gz CCFCEQOAWWAPTO-CEXWTWQISA-N 2 1 378.582 3.761 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177121841 906043529 /nfs/dbraw/zinc/04/35/29/906043529.db2.gz MUSOBMGAZWKBJU-PXNSSMCTSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000177121841 906043536 /nfs/dbraw/zinc/04/35/36/906043536.db2.gz MUSOBMGAZWKBJU-PXNSSMCTSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000177121841 906043547 /nfs/dbraw/zinc/04/35/47/906043547.db2.gz MUSOBMGAZWKBJU-PXNSSMCTSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000177121841 906043555 /nfs/dbraw/zinc/04/35/55/906043555.db2.gz MUSOBMGAZWKBJU-PXNSSMCTSA-N 2 1 398.526 3.721 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000628316072 906048399 /nfs/dbraw/zinc/04/83/99/906048399.db2.gz IAMPIVLAXCYCNU-UHFFFAOYSA-N 2 1 383.502 3.740 20 0 GHADMP COc1cccc(C2([NH3+])CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001172958832 906065195 /nfs/dbraw/zinc/06/51/95/906065195.db2.gz YUHVIIXGHFWVGZ-QGZVFWFLSA-N 2 1 391.556 3.591 20 0 GHADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173064596 906142890 /nfs/dbraw/zinc/14/28/90/906142890.db2.gz HCFQIUROKNUHAQ-PSWRPDDJSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001173075108 906171512 /nfs/dbraw/zinc/17/15/12/906171512.db2.gz KKEZRMOHKAHXDY-MAUKXSAKSA-N 2 1 386.458 3.607 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001173075108 906171515 /nfs/dbraw/zinc/17/15/15/906171515.db2.gz KKEZRMOHKAHXDY-MAUKXSAKSA-N 2 1 386.458 3.607 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)CC1 ZINC001173112396 906201462 /nfs/dbraw/zinc/20/14/62/906201462.db2.gz ADOWZVVQATTYMY-UMXTYSRUSA-N 2 1 379.589 3.875 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)CC1 ZINC001173114142 906202686 /nfs/dbraw/zinc/20/26/86/906202686.db2.gz XUATXNQZYCQABO-QNGMFEMESA-N 2 1 375.532 3.673 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173422002 906456508 /nfs/dbraw/zinc/45/65/08/906456508.db2.gz DUGNQADJCQGFAL-UHFFFAOYSA-N 2 1 391.987 3.997 20 0 GHADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001173454259 906494642 /nfs/dbraw/zinc/49/46/42/906494642.db2.gz YSAGBYPVQICISK-GOSISDBHSA-N 2 1 394.581 3.537 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001173454260 906495367 /nfs/dbraw/zinc/49/53/67/906495367.db2.gz YSAGBYPVQICISK-SFHVURJKSA-N 2 1 394.581 3.537 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173666944 906605248 /nfs/dbraw/zinc/60/52/48/906605248.db2.gz TVOFDXPQOJSBTK-IYARVYRRSA-N 2 1 387.465 3.924 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000180108194 906691990 /nfs/dbraw/zinc/69/19/90/906691990.db2.gz XDRXRJOTEYUTDW-NOTZXAQLSA-N 2 1 377.532 3.722 20 0 GHADMP c1csc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000629675081 906952424 /nfs/dbraw/zinc/95/24/24/906952424.db2.gz MUZIGJUTRUDWMB-BZSNNMDCSA-N 2 1 380.517 3.939 20 0 GHADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000182235093 907165756 /nfs/dbraw/zinc/16/57/56/907165756.db2.gz SSQGOWSARXDEAC-MOPGFXCFSA-N 2 1 385.577 3.829 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183191528 907348312 /nfs/dbraw/zinc/34/83/12/907348312.db2.gz FPCINYAODZJUPJ-YQVWRLOYSA-N 2 1 393.597 3.752 20 0 GHADMP C[NH+]1CCC(COc2ccccc2Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001175864355 907804267 /nfs/dbraw/zinc/80/42/67/907804267.db2.gz ZZXDWBBUGFPPAS-UHFFFAOYSA-N 2 1 395.547 3.983 20 0 GHADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176071412 907901110 /nfs/dbraw/zinc/90/11/10/907901110.db2.gz YEDIQOQFDGCJTA-SPACUTFJSA-N 2 1 377.573 3.723 20 0 GHADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176071412 907901120 /nfs/dbraw/zinc/90/11/20/907901120.db2.gz YEDIQOQFDGCJTA-SPACUTFJSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176071412 907901131 /nfs/dbraw/zinc/90/11/31/907901131.db2.gz YEDIQOQFDGCJTA-SPACUTFJSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176071412 907901139 /nfs/dbraw/zinc/90/11/39/907901139.db2.gz YEDIQOQFDGCJTA-SPACUTFJSA-N 2 1 377.573 3.723 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cnn1C(C)(C)C ZINC000191491928 908631345 /nfs/dbraw/zinc/63/13/45/908631345.db2.gz IVKMHQMXJMMJQJ-DYESRHJHSA-N 2 1 384.568 3.754 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000191565921 908643037 /nfs/dbraw/zinc/64/30/37/908643037.db2.gz UTRQJZKUZSMEKC-AWEZNQCLSA-N 2 1 384.505 3.707 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nnc2n1CCCCC2 ZINC001177590751 908654601 /nfs/dbraw/zinc/65/46/01/908654601.db2.gz YDZOAJMZEXQDHQ-NRFANRHFSA-N 2 1 397.567 3.720 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177626649 908678022 /nfs/dbraw/zinc/67/80/22/908678022.db2.gz QTNPKIBNARKQDN-IPJJNNNSSA-N 2 1 399.510 3.682 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177626649 908678028 /nfs/dbraw/zinc/67/80/28/908678028.db2.gz QTNPKIBNARKQDN-IPJJNNNSSA-N 2 1 399.510 3.682 20 0 GHADMP Cn1cnc2cc(CNc3ccc([NH+]4CCC(C[NH+](C)C)CC4)cc3)ccc21 ZINC001178037497 908881049 /nfs/dbraw/zinc/88/10/49/908881049.db2.gz MYAGFDWXEBEALF-UHFFFAOYSA-N 2 1 377.536 3.963 20 0 GHADMP CC(C)c1[nH+]c(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccn21 ZINC001178488640 909078366 /nfs/dbraw/zinc/07/83/66/909078366.db2.gz ZFKRRUFGKDBYDO-NRFANRHFSA-N 2 1 392.547 3.838 20 0 GHADMP CC(C)c1[nH+]c(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccn21 ZINC001178488640 909078382 /nfs/dbraw/zinc/07/83/82/909078382.db2.gz ZFKRRUFGKDBYDO-NRFANRHFSA-N 2 1 392.547 3.838 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1)C(C)C ZINC000267005396 909364765 /nfs/dbraw/zinc/36/47/65/909364765.db2.gz PTHITJQLCRFUBQ-UHFFFAOYSA-N 2 1 389.584 3.536 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2CCCC(F)(F)F ZINC001274305831 909384126 /nfs/dbraw/zinc/38/41/26/909384126.db2.gz PQSNBQQNHRYZCJ-IRXDYDNUSA-N 2 1 377.495 3.516 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCCC(F)(F)F ZINC001274305831 909384142 /nfs/dbraw/zinc/38/41/42/909384142.db2.gz PQSNBQQNHRYZCJ-IRXDYDNUSA-N 2 1 377.495 3.516 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CCCC(F)(F)F ZINC001274305831 909384156 /nfs/dbraw/zinc/38/41/56/909384156.db2.gz PQSNBQQNHRYZCJ-IRXDYDNUSA-N 2 1 377.495 3.516 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257708 909443596 /nfs/dbraw/zinc/44/35/96/909443596.db2.gz GGCMTLUDCQARTO-HZPDHXFCSA-N 2 1 393.494 3.544 20 0 GHADMP CCC(C)(C)CCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000637625763 909888531 /nfs/dbraw/zinc/88/85/31/909888531.db2.gz DMCFJTIHEGTORK-UHFFFAOYSA-N 2 1 380.621 3.650 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000268813766 910029731 /nfs/dbraw/zinc/02/97/31/910029731.db2.gz DZLBLHHTZPCICY-TZIWHRDSSA-N 2 1 381.568 3.580 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC000268813766 910029743 /nfs/dbraw/zinc/02/97/43/910029743.db2.gz DZLBLHHTZPCICY-TZIWHRDSSA-N 2 1 381.568 3.580 20 0 GHADMP CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638322265 910116828 /nfs/dbraw/zinc/11/68/28/910116828.db2.gz XJAKQNOEUMMDLL-QGZVFWFLSA-N 2 1 397.485 3.559 20 0 GHADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638321932 910117027 /nfs/dbraw/zinc/11/70/27/910117027.db2.gz NNNCRHXJAOLYFG-UYAOXDASSA-N 2 1 392.385 3.801 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1F ZINC000638403210 910148590 /nfs/dbraw/zinc/14/85/90/910148590.db2.gz INEHQRBRCHHLHZ-PGRDOPGGSA-N 2 1 381.495 3.513 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1F ZINC000638403210 910148594 /nfs/dbraw/zinc/14/85/94/910148594.db2.gz INEHQRBRCHHLHZ-PGRDOPGGSA-N 2 1 381.495 3.513 20 0 GHADMP [NH3+]Cc1cccc2c1N(C(=O)[C@@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CCC2 ZINC000638543965 910175121 /nfs/dbraw/zinc/17/51/21/910175121.db2.gz QHSUKKUBUVVNNQ-LJQANCHMSA-N 2 1 392.547 3.931 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000638568855 910195357 /nfs/dbraw/zinc/19/53/57/910195357.db2.gz WEQSUXAJDWPZMA-HRAATJIYSA-N 2 1 385.531 3.503 20 0 GHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC000246463109 910310111 /nfs/dbraw/zinc/31/01/11/910310111.db2.gz OEFAGWMEXREGEX-AZUAARDMSA-N 2 1 385.552 3.900 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC000246463109 910310130 /nfs/dbraw/zinc/31/01/30/910310130.db2.gz OEFAGWMEXREGEX-AZUAARDMSA-N 2 1 385.552 3.900 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC000246463109 910310148 /nfs/dbraw/zinc/31/01/48/910310148.db2.gz OEFAGWMEXREGEX-AZUAARDMSA-N 2 1 385.552 3.900 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC000246463109 910310167 /nfs/dbraw/zinc/31/01/67/910310167.db2.gz OEFAGWMEXREGEX-AZUAARDMSA-N 2 1 385.552 3.900 20 0 GHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(C)cc(C[NH+](C)C)c3)CC2)cs1 ZINC000270373280 910539907 /nfs/dbraw/zinc/53/99/07/910539907.db2.gz KONRWVXAWISFMP-UHFFFAOYSA-N 2 1 386.565 3.672 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C2)CC1 ZINC000639764675 910653954 /nfs/dbraw/zinc/65/39/54/910653954.db2.gz WFUULFLLKFBODT-UHFFFAOYSA-N 2 1 380.414 3.673 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCOC ZINC001181869229 911049694 /nfs/dbraw/zinc/04/96/94/911049694.db2.gz XLGUYKOMQYTGMK-HXUWFJFHSA-N 2 1 397.991 3.588 20 0 GHADMP CCCCC[NH+](C)CCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCOC ZINC001181869229 911049714 /nfs/dbraw/zinc/04/97/14/911049714.db2.gz XLGUYKOMQYTGMK-HXUWFJFHSA-N 2 1 397.991 3.588 20 0 GHADMP CCCCC[NH+](C)CCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOC ZINC001181869229 911049735 /nfs/dbraw/zinc/04/97/35/911049735.db2.gz XLGUYKOMQYTGMK-HXUWFJFHSA-N 2 1 397.991 3.588 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000801923289 921631945 /nfs/dbraw/zinc/63/19/45/921631945.db2.gz CZGWXAOODBUZGF-WOJBJXKFSA-N 2 1 379.589 3.831 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C1 ZINC001181983346 911109967 /nfs/dbraw/zinc/10/99/67/911109967.db2.gz PCKAECUDTMLPNK-QGZVFWFLSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000801934495 921646412 /nfs/dbraw/zinc/64/64/12/921646412.db2.gz NQDVFTGGCINEQG-SFHLNBCPSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000801934495 921646417 /nfs/dbraw/zinc/64/64/17/921646417.db2.gz NQDVFTGGCINEQG-SFHLNBCPSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000801934495 921646423 /nfs/dbraw/zinc/64/64/23/921646423.db2.gz NQDVFTGGCINEQG-SFHLNBCPSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000801934495 921646425 /nfs/dbraw/zinc/64/64/25/921646425.db2.gz NQDVFTGGCINEQG-SFHLNBCPSA-N 2 1 391.600 3.972 20 0 GHADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182239765 911361743 /nfs/dbraw/zinc/36/17/43/911361743.db2.gz HZVOCPKFJYTPNB-HSZRJFAPSA-N 2 1 379.548 3.660 20 0 GHADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182239765 911361763 /nfs/dbraw/zinc/36/17/63/911361763.db2.gz HZVOCPKFJYTPNB-HSZRJFAPSA-N 2 1 379.548 3.660 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001182320894 911479722 /nfs/dbraw/zinc/47/97/22/911479722.db2.gz XATPUOKZTVRQKB-XZOQPEGZSA-N 2 1 383.580 3.684 20 0 GHADMP CCn1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(-c2ccccc2)n1 ZINC000641733212 911499011 /nfs/dbraw/zinc/49/90/11/911499011.db2.gz MJTULFSDZLSTHA-UHFFFAOYSA-N 2 1 390.535 3.735 20 0 GHADMP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774362321 911670699 /nfs/dbraw/zinc/67/06/99/911670699.db2.gz JXQFMDNJDZKXMA-JFZIVLOISA-N 2 1 385.552 3.639 20 0 GHADMP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1I ZINC001206606830 911920832 /nfs/dbraw/zinc/92/08/32/911920832.db2.gz UHVJPLRRGCOWTI-MRXNPFEDSA-N 2 1 386.321 3.952 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248402791 912056281 /nfs/dbraw/zinc/05/62/81/912056281.db2.gz NTMTVHDBEDZWLA-MSNJVRRCSA-N 2 1 380.532 3.619 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001187029869 914959783 /nfs/dbraw/zinc/95/97/83/914959783.db2.gz WTFDIPXPHBULDA-XLIONFOSSA-N 2 1 393.522 3.648 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC001187029869 914959795 /nfs/dbraw/zinc/95/97/95/914959795.db2.gz WTFDIPXPHBULDA-XLIONFOSSA-N 2 1 393.522 3.648 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000647344740 915164029 /nfs/dbraw/zinc/16/40/29/915164029.db2.gz YGJWDTVXGNHMFF-CKUXNOBLSA-N 2 1 379.548 3.519 20 0 GHADMP CCc1nc(N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc(C)[nH+]1 ZINC001187600505 915359067 /nfs/dbraw/zinc/35/90/67/915359067.db2.gz UGTGPTFFYAWCNA-HXUWFJFHSA-N 2 1 380.536 3.973 20 0 GHADMP COc1ccc([C@H]([NH2+]C[C@H]2CC[NH2+]C2)c2ccccc2)cc1Br ZINC000647892315 915427597 /nfs/dbraw/zinc/42/75/97/915427597.db2.gz UJWCEBBQBKYPEF-IFXJQAMLSA-N 2 1 375.310 3.746 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976322 915460293 /nfs/dbraw/zinc/46/02/93/915460293.db2.gz NBKQEWIYVTWUOQ-FCGDIQPGSA-N 2 1 375.582 3.512 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000648735424 915844725 /nfs/dbraw/zinc/84/47/25/915844725.db2.gz PIXJSAPGQDHEKU-LJQANCHMSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000648859854 915912888 /nfs/dbraw/zinc/91/28/88/915912888.db2.gz KJIMWFVHAQPBJV-ZHHKINOHSA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000648859854 915912891 /nfs/dbraw/zinc/91/28/91/915912891.db2.gz KJIMWFVHAQPBJV-ZHHKINOHSA-N 2 1 394.563 3.814 20 0 GHADMP O=C(Cc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1)Nc1ccccc1 ZINC000649418062 916147655 /nfs/dbraw/zinc/14/76/55/916147655.db2.gz YQLKTUFYQZJCQF-QZTJIDSGSA-N 2 1 398.576 3.536 20 0 GHADMP Cc1ccc(C[C@@H](C)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000361056687 916475182 /nfs/dbraw/zinc/47/51/82/916475182.db2.gz ZDDBURDMRTXXSS-OAQYLSRUSA-N 2 1 399.623 3.828 20 0 GHADMP CCSc1ccc(Cl)cc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000361322132 916640498 /nfs/dbraw/zinc/64/04/98/916640498.db2.gz XEHKXFCGJHYRIJ-KRWDZBQOSA-N 2 1 396.000 3.693 20 0 GHADMP COCCN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000509457392 916809235 /nfs/dbraw/zinc/80/92/35/916809235.db2.gz XMWZUUYQTJXHHD-JOCHJYFZSA-N 2 1 396.579 3.555 20 0 GHADMP COCCN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000509457392 916809248 /nfs/dbraw/zinc/80/92/48/916809248.db2.gz XMWZUUYQTJXHHD-JOCHJYFZSA-N 2 1 396.579 3.555 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000294682968 916932022 /nfs/dbraw/zinc/93/20/22/916932022.db2.gz SQOLTGOHSOJPMJ-ODULNIPZSA-N 2 1 387.543 3.730 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000294682968 916932028 /nfs/dbraw/zinc/93/20/28/916932028.db2.gz SQOLTGOHSOJPMJ-ODULNIPZSA-N 2 1 387.543 3.730 20 0 GHADMP Cc1cccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1F ZINC000294952342 917066836 /nfs/dbraw/zinc/06/68/36/917066836.db2.gz FKDLYODYKIZTLP-UHFFFAOYSA-N 2 1 386.511 3.914 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295081691 917130455 /nfs/dbraw/zinc/13/04/55/917130455.db2.gz SCYZNEWGCBSWCG-WWTUQBGBSA-N 2 1 385.430 3.517 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707127 917243489 /nfs/dbraw/zinc/24/34/89/917243489.db2.gz YURGLZRZDIDLMG-NBHGPNQESA-N 2 1 388.943 3.552 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707128 917243811 /nfs/dbraw/zinc/24/38/11/917243811.db2.gz YURGLZRZDIDLMG-SCWSEQNSSA-N 2 1 388.943 3.552 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)C1 ZINC000650707983 917245668 /nfs/dbraw/zinc/24/56/68/917245668.db2.gz RCJXEHVJGDXJDZ-LDQXTDLNSA-N 2 1 378.944 3.847 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650724859 917251640 /nfs/dbraw/zinc/25/16/40/917251640.db2.gz NOXKPHLRHDJEJL-KSEOMHKRSA-N 2 1 380.536 3.710 20 0 GHADMP CCC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001190605529 917444034 /nfs/dbraw/zinc/44/40/34/917444034.db2.gz NWDXZTQMCNAVKV-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP CCC[NH+](Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001190605529 917444041 /nfs/dbraw/zinc/44/40/41/917444041.db2.gz NWDXZTQMCNAVKV-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP CCC[NH+](Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001190605529 917444049 /nfs/dbraw/zinc/44/40/49/917444049.db2.gz NWDXZTQMCNAVKV-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC000651427892 917606568 /nfs/dbraw/zinc/60/65/68/917606568.db2.gz HJUYRWLGNCXFMH-UHFFFAOYSA-N 2 1 386.561 3.623 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000652361981 917882341 /nfs/dbraw/zinc/88/23/41/917882341.db2.gz VBQAUTKIHIUWJE-NEWSRXKRSA-N 2 1 375.900 3.856 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cncc(OCc3ccccc3)c2)C1 ZINC000652364028 917883321 /nfs/dbraw/zinc/88/33/21/917883321.db2.gz VRIBOKNZALZGRI-MZYLBHOOSA-N 2 1 381.520 3.521 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653153697 918144254 /nfs/dbraw/zinc/14/42/54/918144254.db2.gz XGZKVRBFVRTXRU-DOFJYSBOSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653153697 918144262 /nfs/dbraw/zinc/14/42/62/918144262.db2.gz XGZKVRBFVRTXRU-DOFJYSBOSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653153699 918144568 /nfs/dbraw/zinc/14/45/68/918144568.db2.gz XGZKVRBFVRTXRU-UUZHKXTQSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653153699 918144579 /nfs/dbraw/zinc/14/45/79/918144579.db2.gz XGZKVRBFVRTXRU-UUZHKXTQSA-N 2 1 381.923 3.637 20 0 GHADMP C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382041253 919718020 /nfs/dbraw/zinc/71/80/20/919718020.db2.gz INSYWPJOGMVSPQ-UYAOXDASSA-N 2 1 387.568 3.886 20 0 GHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000368509386 922718455 /nfs/dbraw/zinc/71/84/55/922718455.db2.gz AMWQYDQZMKODHU-CYBMUJFWSA-N 2 1 389.297 3.779 20 0 GHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000368509386 922718465 /nfs/dbraw/zinc/71/84/65/922718465.db2.gz AMWQYDQZMKODHU-CYBMUJFWSA-N 2 1 389.297 3.779 20 0 GHADMP C[C@]1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368529564 922731577 /nfs/dbraw/zinc/73/15/77/922731577.db2.gz CLXJWBZTHTZECN-XMMPIXPASA-N 2 1 378.564 3.548 20 0 GHADMP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+]C2C[C@H]4CC[C@@H](C2)[N@@H+]4C2CC2)C3)c(F)c1 ZINC000903187736 922841509 /nfs/dbraw/zinc/84/15/09/922841509.db2.gz WHKPCVZVFUHXDS-WELJNPPOSA-N 2 1 398.501 3.891 20 0 GHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740557 923242318 /nfs/dbraw/zinc/24/23/18/923242318.db2.gz WSMICYUFBQLJIU-PWHSHALESA-N 2 1 382.552 3.565 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790488 923297139 /nfs/dbraw/zinc/29/71/39/923297139.db2.gz KUQJPWSIIVBEMV-GOSISDBHSA-N 2 1 397.567 3.513 20 0 GHADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3ccc(Br)cc3)n1)C2 ZINC000903842640 923335204 /nfs/dbraw/zinc/33/52/04/923335204.db2.gz RETHZRNCKQATKO-PJODQICGSA-N 2 1 378.339 3.884 20 0 GHADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3ccc(Br)cc3)n1)C2 ZINC000903842640 923335213 /nfs/dbraw/zinc/33/52/13/923335213.db2.gz RETHZRNCKQATKO-PJODQICGSA-N 2 1 378.339 3.884 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903956025 923434903 /nfs/dbraw/zinc/43/49/03/923434903.db2.gz FKYKZNXKBMIMIF-QGZVFWFLSA-N 2 1 392.494 3.648 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000369853130 923681435 /nfs/dbraw/zinc/68/14/35/923681435.db2.gz PVODEUHLTOYBBW-IBGZPJMESA-N 2 1 386.584 3.826 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001137280380 924210737 /nfs/dbraw/zinc/21/07/37/924210737.db2.gz QAZRDXFVJJZHDP-DNVJHFABSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001137280380 924210739 /nfs/dbraw/zinc/21/07/39/924210739.db2.gz QAZRDXFVJJZHDP-DNVJHFABSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001137280380 924210752 /nfs/dbraw/zinc/21/07/52/924210752.db2.gz QAZRDXFVJJZHDP-DNVJHFABSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1cccc2nc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cn21 ZINC001137296889 924351688 /nfs/dbraw/zinc/35/16/88/924351688.db2.gz RKULGVLGPYXPFU-UHFFFAOYSA-N 2 1 396.560 3.571 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000678045915 924591113 /nfs/dbraw/zinc/59/11/13/924591113.db2.gz MFNBOQVDHOQNRM-UHFFFAOYSA-N 2 1 386.540 3.615 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000678045915 924591120 /nfs/dbraw/zinc/59/11/20/924591120.db2.gz MFNBOQVDHOQNRM-UHFFFAOYSA-N 2 1 386.540 3.615 20 0 GHADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000678126160 924620207 /nfs/dbraw/zinc/62/02/07/924620207.db2.gz CNNOCCAKCJOLBM-QFIPXVFZSA-N 2 1 384.520 3.981 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4[nH]c(C)cc4C)CC3)C2)c1 ZINC001137326090 924686359 /nfs/dbraw/zinc/68/63/59/924686359.db2.gz RXNAJAWXEXAZNM-UHFFFAOYSA-N 2 1 383.536 3.507 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4[nH]c(C)cc4C)CC3)C2)c1 ZINC001137326090 924686365 /nfs/dbraw/zinc/68/63/65/924686365.db2.gz RXNAJAWXEXAZNM-UHFFFAOYSA-N 2 1 383.536 3.507 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000678259976 924693126 /nfs/dbraw/zinc/69/31/26/924693126.db2.gz OKYPHCZFRWZWLG-DENIHFKCSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000678259976 924693130 /nfs/dbraw/zinc/69/31/30/924693130.db2.gz OKYPHCZFRWZWLG-DENIHFKCSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1Cc1ccccc1 ZINC000678259976 924693135 /nfs/dbraw/zinc/69/31/35/924693135.db2.gz OKYPHCZFRWZWLG-DENIHFKCSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1Cc1ccccc1 ZINC000678259976 924693139 /nfs/dbraw/zinc/69/31/39/924693139.db2.gz OKYPHCZFRWZWLG-DENIHFKCSA-N 2 1 375.520 3.752 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)CC2)nc(C)[nH+]1 ZINC000371817897 924881610 /nfs/dbraw/zinc/88/16/10/924881610.db2.gz YDBZZLYECOVJJG-QHCPKHFHSA-N 2 1 391.494 3.976 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1n[nH]c3ccccc31)CC2 ZINC001137345910 924896020 /nfs/dbraw/zinc/89/60/20/924896020.db2.gz COTKCSDNEDZQMN-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137345910 924896029 /nfs/dbraw/zinc/89/60/29/924896029.db2.gz COTKCSDNEDZQMN-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137345910 924896040 /nfs/dbraw/zinc/89/60/40/924896040.db2.gz COTKCSDNEDZQMN-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)o2)cc1C ZINC000371962588 925025800 /nfs/dbraw/zinc/02/58/00/925025800.db2.gz MIAWCJFBFIJENG-TZIWHRDSSA-N 2 1 397.567 3.515 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)o2)cc1C ZINC000371962588 925025806 /nfs/dbraw/zinc/02/58/06/925025806.db2.gz MIAWCJFBFIJENG-TZIWHRDSSA-N 2 1 397.567 3.515 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000679174580 925051620 /nfs/dbraw/zinc/05/16/20/925051620.db2.gz MSBHZZGBMLJSFD-PMACEKPBSA-N 2 1 384.568 3.580 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680268566 925415568 /nfs/dbraw/zinc/41/55/68/925415568.db2.gz HVZPIYZYBFTCGH-SESVDKBCSA-N 2 1 397.588 3.840 20 0 GHADMP COc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000680335188 925447291 /nfs/dbraw/zinc/44/72/91/925447291.db2.gz RXIKRDJFHAJSRB-HSZRJFAPSA-N 2 1 382.523 3.988 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410373709 925585964 /nfs/dbraw/zinc/58/59/64/925585964.db2.gz RCQYOPUAGLFLSG-HXUWFJFHSA-N 2 1 398.595 3.831 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000681099459 925723856 /nfs/dbraw/zinc/72/38/56/925723856.db2.gz BKOSSXLAHRJEJL-OAQYLSRUSA-N 2 1 392.507 3.545 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000373563913 926251496 /nfs/dbraw/zinc/25/14/96/926251496.db2.gz QIQHEUNBVFUNJE-ITQYTPKQSA-N 2 1 397.485 3.593 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000411392792 926353574 /nfs/dbraw/zinc/35/35/74/926353574.db2.gz DIKRATHHPDZNMS-NLPWIYRPSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@H]([C@H]2CCOC2)C1)CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000411392792 926353581 /nfs/dbraw/zinc/35/35/81/926353581.db2.gz DIKRATHHPDZNMS-NLPWIYRPSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@H]([C@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000411392792 926353589 /nfs/dbraw/zinc/35/35/89/926353589.db2.gz DIKRATHHPDZNMS-NLPWIYRPSA-N 2 1 392.628 3.900 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000411549825 926511518 /nfs/dbraw/zinc/51/15/18/926511518.db2.gz ICPPKUARWVVJTM-KNQAVFIVSA-N 2 1 397.563 3.895 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000411629320 926584469 /nfs/dbraw/zinc/58/44/69/926584469.db2.gz CHBOHFQIOWUNAS-NRFANRHFSA-N 2 1 382.552 3.741 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000411629320 926584475 /nfs/dbraw/zinc/58/44/75/926584475.db2.gz CHBOHFQIOWUNAS-NRFANRHFSA-N 2 1 382.552 3.741 20 0 GHADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000749241225 927011508 /nfs/dbraw/zinc/01/15/08/927011508.db2.gz KEECIXLWWDNLNL-QHCPKHFHSA-N 2 1 398.595 3.810 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000749587282 927203792 /nfs/dbraw/zinc/20/37/92/927203792.db2.gz HENFLHZGKNIVQR-FBBABVLZSA-N 2 1 387.568 3.585 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750239639 927509953 /nfs/dbraw/zinc/50/99/53/927509953.db2.gz MXUYWPHDBFRGAN-QHCPKHFHSA-N 2 1 397.538 3.900 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000750239639 927509962 /nfs/dbraw/zinc/50/99/62/927509962.db2.gz MXUYWPHDBFRGAN-QHCPKHFHSA-N 2 1 397.538 3.900 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1)C1CC1 ZINC000469486001 929932514 /nfs/dbraw/zinc/93/25/14/929932514.db2.gz NVWRTQWWORDXLI-UHFFFAOYSA-N 2 1 379.548 3.705 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000469755848 930138014 /nfs/dbraw/zinc/13/80/14/930138014.db2.gz CLGPDAACANOVKY-ROUUACIJSA-N 2 1 383.511 3.819 20 0 GHADMP CC(C)c1nccn1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832131 930189145 /nfs/dbraw/zinc/18/91/45/930189145.db2.gz RVUVFCOMSFUVJO-CTNGQTDRSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832131 930189152 /nfs/dbraw/zinc/18/91/52/930189152.db2.gz RVUVFCOMSFUVJO-CTNGQTDRSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832131 930189157 /nfs/dbraw/zinc/18/91/57/930189157.db2.gz RVUVFCOMSFUVJO-CTNGQTDRSA-N 2 1 382.552 3.908 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000780877975 930625109 /nfs/dbraw/zinc/62/51/09/930625109.db2.gz LLMRGVYLLHHCBC-GHTZIAJQSA-N 2 1 381.520 3.908 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000781424749 930840616 /nfs/dbraw/zinc/84/06/16/930840616.db2.gz YOXUEYPDJAPBEI-ACIOBRDBSA-N 2 1 399.579 3.886 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(OC[C@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022255 931101041 /nfs/dbraw/zinc/10/10/41/931101041.db2.gz MGTRIHBJOWNOGT-GIFXNVAJSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(OC[C@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022255 931101044 /nfs/dbraw/zinc/10/10/44/931101044.db2.gz MGTRIHBJOWNOGT-GIFXNVAJSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(OC[C@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022255 931101053 /nfs/dbraw/zinc/10/10/53/931101053.db2.gz MGTRIHBJOWNOGT-GIFXNVAJSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(OC[C@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022255 931101058 /nfs/dbraw/zinc/10/10/58/931101058.db2.gz MGTRIHBJOWNOGT-GIFXNVAJSA-N 2 1 392.543 3.808 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000782778327 931333464 /nfs/dbraw/zinc/33/34/64/931333464.db2.gz LKWNVFIMFBJMQO-ZEQRLZLVSA-N 2 1 380.532 3.511 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000557330317 931348634 /nfs/dbraw/zinc/34/86/34/931348634.db2.gz ZAHBVBNXQCQMDE-HXUWFJFHSA-N 2 1 377.960 3.714 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000924651529 931462017 /nfs/dbraw/zinc/46/20/17/931462017.db2.gz UUAOKCIEMYBMEW-UHFFFAOYSA-N 2 1 392.507 3.838 20 0 GHADMP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ncccc1Cl ZINC000924690759 931477050 /nfs/dbraw/zinc/47/70/50/931477050.db2.gz WSJZBHNWUKRFQH-LJQANCHMSA-N 2 1 387.959 3.903 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000783307502 931516610 /nfs/dbraw/zinc/51/66/10/931516610.db2.gz KCEOFWRZZFDJGI-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000783307502 931516615 /nfs/dbraw/zinc/51/66/15/931516615.db2.gz KCEOFWRZZFDJGI-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000783494889 931562404 /nfs/dbraw/zinc/56/24/04/931562404.db2.gz QHCOHMYYEUKDSA-OAQYLSRUSA-N 2 1 387.568 3.814 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000783494889 931562407 /nfs/dbraw/zinc/56/24/07/931562407.db2.gz QHCOHMYYEUKDSA-OAQYLSRUSA-N 2 1 387.568 3.814 20 0 GHADMP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](c3cc4ccccc4o3)c3ccccn3)C2)CC1 ZINC000925044024 931622904 /nfs/dbraw/zinc/62/29/04/931622904.db2.gz YYENAWUWOKCYOH-YADARESESA-N 2 1 390.531 3.675 20 0 GHADMP CON1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925089509 931641420 /nfs/dbraw/zinc/64/14/20/931641420.db2.gz JZPDMNSFWOBXMT-LPHOPBHVSA-N 2 1 385.474 3.704 20 0 GHADMP CON1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925089509 931641425 /nfs/dbraw/zinc/64/14/25/931641425.db2.gz JZPDMNSFWOBXMT-LPHOPBHVSA-N 2 1 385.474 3.704 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1CC[NH+](CCC)CC1)c1ccc(Cl)cc1 ZINC000557748841 931648299 /nfs/dbraw/zinc/64/82/99/931648299.db2.gz NPCQQRJJVDOZDP-HXUWFJFHSA-N 2 1 394.991 3.897 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925222881 931707808 /nfs/dbraw/zinc/70/78/08/931707808.db2.gz UKJCOUDGEJCQCP-OAQYLSRUSA-N 2 1 385.939 3.859 20 0 GHADMP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H](C)C1 ZINC000558012674 931800388 /nfs/dbraw/zinc/80/03/88/931800388.db2.gz RQSVVLCRFGFHSO-RUOSDFBUSA-N 2 1 398.595 3.682 20 0 GHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H](C)C1 ZINC000558012674 931800395 /nfs/dbraw/zinc/80/03/95/931800395.db2.gz RQSVVLCRFGFHSO-RUOSDFBUSA-N 2 1 398.595 3.682 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cs1 ZINC000925572485 931826848 /nfs/dbraw/zinc/82/68/48/931826848.db2.gz JBPWMQABQYIMTO-NHCUHLMSSA-N 3 1 390.641 3.675 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(I)c1 ZINC000558417650 931991981 /nfs/dbraw/zinc/99/19/81/931991981.db2.gz GXKZTSNAXMXBTG-UHFFFAOYSA-N 2 1 397.304 3.962 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(I)c1 ZINC000558417650 931991990 /nfs/dbraw/zinc/99/19/90/931991990.db2.gz GXKZTSNAXMXBTG-UHFFFAOYSA-N 2 1 397.304 3.962 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796835610 932084330 /nfs/dbraw/zinc/08/43/30/932084330.db2.gz DEDIMNSUNRGWDV-MSOLQXFVSA-N 2 1 390.572 3.869 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796835610 932084338 /nfs/dbraw/zinc/08/43/38/932084338.db2.gz DEDIMNSUNRGWDV-MSOLQXFVSA-N 2 1 390.572 3.869 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879947 932334561 /nfs/dbraw/zinc/33/45/61/932334561.db2.gz MZOQXHFSQYDQJS-ABGQGECKSA-N 2 1 376.488 3.897 20 0 GHADMP CC[C@@H](C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559275838 932572633 /nfs/dbraw/zinc/57/26/33/932572633.db2.gz LGAKGOYIBIHHLV-RPWUZVMVSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000559275838 932572642 /nfs/dbraw/zinc/57/26/42/932572642.db2.gz LGAKGOYIBIHHLV-RPWUZVMVSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000559275838 932572646 /nfs/dbraw/zinc/57/26/46/932572646.db2.gz LGAKGOYIBIHHLV-RPWUZVMVSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@@]1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498046 932672496 /nfs/dbraw/zinc/67/24/96/932672496.db2.gz KRQKLZJHGSZSSN-DEOSSOPVSA-N 2 1 377.532 3.581 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000559600129 932749924 /nfs/dbraw/zinc/74/99/24/932749924.db2.gz HOOJUEOFAMVCKV-NRFANRHFSA-N 2 1 393.575 3.708 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000798935685 932823432 /nfs/dbraw/zinc/82/34/32/932823432.db2.gz RPYAHRPUMIGKPI-SVFBPWRDSA-N 2 1 394.506 3.855 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000798947592 932831639 /nfs/dbraw/zinc/83/16/39/932831639.db2.gz IIRQUZWTXVFCGP-JQVVWYNYSA-N 2 1 381.605 3.981 20 0 GHADMP C[C@@]1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014930 932853468 /nfs/dbraw/zinc/85/34/68/932853468.db2.gz LZLWPMLCUIZUCC-VWLOTQADSA-N 2 1 391.559 3.924 20 0 GHADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178767 932899315 /nfs/dbraw/zinc/89/93/15/932899315.db2.gz JEHPUUXYHJRJET-OAHLLOKOSA-N 2 1 383.458 3.840 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000799178963 932901075 /nfs/dbraw/zinc/90/10/75/932901075.db2.gz UMEULNLMSBTGML-QZTJIDSGSA-N 2 1 383.536 3.806 20 0 GHADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559894755 932926622 /nfs/dbraw/zinc/92/66/22/932926622.db2.gz VLYRABWXGCOPOF-IRLDBZIGSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1ccnc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559894755 932926629 /nfs/dbraw/zinc/92/66/29/932926629.db2.gz VLYRABWXGCOPOF-IRLDBZIGSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)CC2)oc1C ZINC000560025994 933023781 /nfs/dbraw/zinc/02/37/81/933023781.db2.gz QEXKZZBEGOCYGK-UXHICEINSA-N 2 1 385.556 3.553 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000560504979 933297280 /nfs/dbraw/zinc/29/72/80/933297280.db2.gz CNXZSCRJWZWCFI-FXAWDEMLSA-N 2 1 377.960 3.508 20 0 GHADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000560528995 933313990 /nfs/dbraw/zinc/31/39/90/933313990.db2.gz SYNBRQWOXQXJMB-LJQANCHMSA-N 2 1 387.490 3.900 20 0 GHADMP CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000560543481 933328900 /nfs/dbraw/zinc/32/89/00/933328900.db2.gz IHFMDGGUBGZRHJ-FDFHNCONSA-N 2 1 383.580 3.573 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)CC1 ZINC000560611137 933386048 /nfs/dbraw/zinc/38/60/48/933386048.db2.gz GEIBZTBUPWKKMF-QHCPKHFHSA-N 2 1 383.580 3.610 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC001116407064 933541920 /nfs/dbraw/zinc/54/19/20/933541920.db2.gz AAMRZWTZHLRREB-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001116407064 933541928 /nfs/dbraw/zinc/54/19/28/933541928.db2.gz AAMRZWTZHLRREB-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001116407064 933541935 /nfs/dbraw/zinc/54/19/35/933541935.db2.gz AAMRZWTZHLRREB-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc2c[nH+]cn21 ZINC001116487523 933586954 /nfs/dbraw/zinc/58/69/54/933586954.db2.gz SDLMDOFDWUFHMW-KRWDZBQOSA-N 2 1 376.504 3.947 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000560822948 933589243 /nfs/dbraw/zinc/58/92/43/933589243.db2.gz JYKSAWKJMSTZNP-FQEVSTJZSA-N 2 1 383.580 3.588 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001116501605 933595057 /nfs/dbraw/zinc/59/50/57/933595057.db2.gz YZGOHQUUICHNHU-DEOSSOPVSA-N 2 1 391.559 3.804 20 0 GHADMP CC(=O)N1CCC([NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000930071717 933812832 /nfs/dbraw/zinc/81/28/32/933812832.db2.gz KFPVKRFAWNIFRA-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP CC(=O)N1CCC([NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000930071717 933812834 /nfs/dbraw/zinc/81/28/34/933812834.db2.gz KFPVKRFAWNIFRA-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC001116904835 933820947 /nfs/dbraw/zinc/82/09/47/933820947.db2.gz FZXIJAMJSFQCIV-INIZCTEOSA-N 2 1 387.351 3.541 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561316714 934048370 /nfs/dbraw/zinc/04/83/70/934048370.db2.gz WYQBTWMEDULQGT-ZTCOLXNVSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561316714 934048378 /nfs/dbraw/zinc/04/83/78/934048378.db2.gz WYQBTWMEDULQGT-ZTCOLXNVSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561316714 934048388 /nfs/dbraw/zinc/04/83/88/934048388.db2.gz WYQBTWMEDULQGT-ZTCOLXNVSA-N 2 1 391.559 3.535 20 0 GHADMP C[NH2+][C@H](C)CCNC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001118015500 934078476 /nfs/dbraw/zinc/07/84/76/934078476.db2.gz BLCJODCFJZJDLU-WIYYLYMNSA-N 2 1 390.572 3.586 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001149079793 934115656 /nfs/dbraw/zinc/11/56/56/934115656.db2.gz MVMIJYSYEFCIBG-LEWJYISDSA-N 2 1 383.580 3.905 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001149079793 934115663 /nfs/dbraw/zinc/11/56/63/934115663.db2.gz MVMIJYSYEFCIBG-LEWJYISDSA-N 2 1 383.580 3.905 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000561400985 934125635 /nfs/dbraw/zinc/12/56/35/934125635.db2.gz HEZBMKHBXCBPSX-IBGZPJMESA-N 2 1 383.565 3.800 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000561400985 934125642 /nfs/dbraw/zinc/12/56/42/934125642.db2.gz HEZBMKHBXCBPSX-IBGZPJMESA-N 2 1 383.565 3.800 20 0 GHADMP Cc1ccc(-c2nn(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c(=S)n2C)cc1 ZINC001120255395 934450418 /nfs/dbraw/zinc/45/04/18/934450418.db2.gz GVNCJTLKJDNKDO-IPMKNSEASA-N 2 1 385.581 3.546 20 0 GHADMP Cc1ccc(-c2nn(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c(=S)n2C)cc1 ZINC001120255395 934450423 /nfs/dbraw/zinc/45/04/23/934450423.db2.gz GVNCJTLKJDNKDO-IPMKNSEASA-N 2 1 385.581 3.546 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@H]4C[C@@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963432 934590107 /nfs/dbraw/zinc/59/01/07/934590107.db2.gz NPCZMVZQVSWDCR-DSNGMDLFSA-N 2 1 375.560 3.682 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001121829207 934774498 /nfs/dbraw/zinc/77/44/98/934774498.db2.gz FMCDMYIZCYEYOG-OAQYLSRUSA-N 2 1 398.595 3.513 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cc4ccccc4s3)CC[C@@H]21 ZINC001137684674 935711788 /nfs/dbraw/zinc/71/17/88/935711788.db2.gz YFCNQNMOMMRVTE-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC001137684674 935711791 /nfs/dbraw/zinc/71/17/91/935711791.db2.gz YFCNQNMOMMRVTE-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC001137684674 935711795 /nfs/dbraw/zinc/71/17/95/935711795.db2.gz YFCNQNMOMMRVTE-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC001137684674 935711798 /nfs/dbraw/zinc/71/17/98/935711798.db2.gz YFCNQNMOMMRVTE-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC001137684674 935711802 /nfs/dbraw/zinc/71/18/02/935711802.db2.gz YFCNQNMOMMRVTE-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000544847643 1015094289 /nfs/dbraw/zinc/09/42/89/1015094289.db2.gz PWMPEDRJGVXMFS-VGOFRKELSA-N 2 1 399.966 3.901 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468025231 1015159847 /nfs/dbraw/zinc/15/98/47/1015159847.db2.gz GMFPFXZZAHNFRQ-YVNJGZBMSA-N 2 1 388.600 3.734 20 0 GHADMP COCC[N@H+]1CC[C@H](Nc2ccc(C[NH+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926550 1015225439 /nfs/dbraw/zinc/22/54/39/1015225439.db2.gz CASHICCFCYNUQO-XZOQPEGZSA-N 2 1 389.584 3.599 20 0 GHADMP COCC[NH+]1CC[C@H](Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926550 1015225445 /nfs/dbraw/zinc/22/54/45/1015225445.db2.gz CASHICCFCYNUQO-XZOQPEGZSA-N 2 1 389.584 3.599 20 0 GHADMP COCC[NH+]1CC[C@H](Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926550 1015225451 /nfs/dbraw/zinc/22/54/51/1015225451.db2.gz CASHICCFCYNUQO-XZOQPEGZSA-N 2 1 389.584 3.599 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2C)cc1 ZINC000468407440 1015676316 /nfs/dbraw/zinc/67/63/16/1015676316.db2.gz FKFBSYMIKGPVAV-JOCHJYFZSA-N 2 1 396.579 3.865 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2C)cc1 ZINC000468407440 1015676321 /nfs/dbraw/zinc/67/63/21/1015676321.db2.gz FKFBSYMIKGPVAV-JOCHJYFZSA-N 2 1 396.579 3.865 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[NH+]2CCC3(CCC[NH2+]3)CC2)s1 ZINC001226783014 1032125948 /nfs/dbraw/zinc/12/59/48/1032125948.db2.gz CIEMJBSZRPPWAR-UHFFFAOYSA-N 2 1 384.471 3.885 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2c[nH+]ccc2N(C)C)c1 ZINC000545349620 1015797871 /nfs/dbraw/zinc/79/78/71/1015797871.db2.gz BWRCAWSZKCFONZ-MRXNPFEDSA-N 2 1 399.514 3.712 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000545473502 1015913238 /nfs/dbraw/zinc/91/32/38/1015913238.db2.gz MICQQFUDTAQABN-ZNLUXHQJSA-N 2 1 399.966 3.627 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CCOCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470950402 1016928708 /nfs/dbraw/zinc/92/87/08/1016928708.db2.gz XUTJLCGFYJVAHQ-SYQHCUMBSA-N 2 1 376.385 3.548 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOCC[NH+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470950402 1016928715 /nfs/dbraw/zinc/92/87/15/1016928715.db2.gz XUTJLCGFYJVAHQ-SYQHCUMBSA-N 2 1 376.385 3.548 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOCC[NH+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470950402 1016928718 /nfs/dbraw/zinc/92/87/18/1016928718.db2.gz XUTJLCGFYJVAHQ-SYQHCUMBSA-N 2 1 376.385 3.548 20 0 GHADMP C[C@@H]1[C@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001220859711 1032157777 /nfs/dbraw/zinc/15/77/77/1032157777.db2.gz KGLWOXSDUDHYIE-QIJUGHKUSA-N 2 1 393.575 3.976 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C[C@@H]1C ZINC001220874525 1032164748 /nfs/dbraw/zinc/16/47/48/1032164748.db2.gz RUBHANPSBKYJIG-UFYCRDLUSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C[C@@H]1C ZINC001220874525 1032164759 /nfs/dbraw/zinc/16/47/59/1032164759.db2.gz RUBHANPSBKYJIG-UFYCRDLUSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C[C@@H]1C ZINC001220874525 1032164772 /nfs/dbraw/zinc/16/47/72/1032164772.db2.gz RUBHANPSBKYJIG-UFYCRDLUSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCC[NH+]4CCCC[C@@H]34)cc2)C1 ZINC001220880848 1032171006 /nfs/dbraw/zinc/17/10/06/1032171006.db2.gz XZVWDRSACKPMOU-OIBXWCBGSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2)C1 ZINC001220880848 1032171023 /nfs/dbraw/zinc/17/10/23/1032171023.db2.gz XZVWDRSACKPMOU-OIBXWCBGSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2)C1 ZINC001220880848 1032171030 /nfs/dbraw/zinc/17/10/30/1032171030.db2.gz XZVWDRSACKPMOU-OIBXWCBGSA-N 2 1 398.595 3.735 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001221063516 1032262174 /nfs/dbraw/zinc/26/21/74/1032262174.db2.gz YIHGWQGFIZFJOB-ZRBLBEILSA-N 2 1 377.532 3.651 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1Cl ZINC001221074762 1032267798 /nfs/dbraw/zinc/26/77/98/1032267798.db2.gz SAQAOECKVJKPKR-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@H]1C ZINC001221101172 1032287990 /nfs/dbraw/zinc/28/79/90/1032287990.db2.gz PGHBFPRCPWKGEJ-FUHIMQAGSA-N 2 1 392.975 3.601 20 0 GHADMP Cc1csc2sc(C[N@@H+]3CCC[C@@]34CCN(CC[NH+](C)C)C4=O)c(C)c12 ZINC001277201126 1032381470 /nfs/dbraw/zinc/38/14/70/1032381470.db2.gz PWCPTXNFEYSRNY-FQEVSTJZSA-N 2 1 391.606 3.708 20 0 GHADMP C[C@@H]1C[C@@H](CNc2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)C[NH2+]1 ZINC001155102066 1032415483 /nfs/dbraw/zinc/41/54/83/1032415483.db2.gz RVYZWWHTYIJLBV-HZPDHXFCSA-N 2 1 399.608 3.822 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001227447812 1032423804 /nfs/dbraw/zinc/42/38/04/1032423804.db2.gz VJZFFNZAUQOLBP-FPOVZHCZSA-N 2 1 388.600 3.516 20 0 GHADMP CSCc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361119 1032519216 /nfs/dbraw/zinc/51/92/16/1032519216.db2.gz JKOGAWAHNJOXPX-OAQYLSRUSA-N 2 1 396.604 3.858 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001155714272 1032656771 /nfs/dbraw/zinc/65/67/71/1032656771.db2.gz YQIPKLQMWTUOQW-OAQYLSRUSA-N 2 1 387.543 3.657 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001155714272 1032656779 /nfs/dbraw/zinc/65/67/79/1032656779.db2.gz YQIPKLQMWTUOQW-OAQYLSRUSA-N 2 1 387.543 3.657 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000558306410 1017167742 /nfs/dbraw/zinc/16/77/42/1017167742.db2.gz GGUIXDUDYRNDNC-HXUWFJFHSA-N 2 1 379.548 3.535 20 0 GHADMP Cc1ncccc1NC(=O)[C@H](C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926557423 1017283303 /nfs/dbraw/zinc/28/33/03/1017283303.db2.gz BLUKLJZWOKGYEB-BHGTWAMESA-N 2 1 392.547 3.892 20 0 GHADMP CCS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000926909330 1017324592 /nfs/dbraw/zinc/32/45/92/1017324592.db2.gz OHFGJQLJZWURLY-NQIIRXRSSA-N 2 1 392.609 3.655 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204266191 1032708830 /nfs/dbraw/zinc/70/88/30/1032708830.db2.gz UJQXGSDRWQOLPE-SFTDATJTSA-N 2 1 399.604 3.642 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000929805029 1017742750 /nfs/dbraw/zinc/74/27/50/1017742750.db2.gz ABDIUVPAFBSIRP-KMRPREKFSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000929805029 1017742766 /nfs/dbraw/zinc/74/27/66/1017742766.db2.gz ABDIUVPAFBSIRP-KMRPREKFSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000929805029 1017742778 /nfs/dbraw/zinc/74/27/78/1017742778.db2.gz ABDIUVPAFBSIRP-KMRPREKFSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000929805029 1017742786 /nfs/dbraw/zinc/74/27/86/1017742786.db2.gz ABDIUVPAFBSIRP-KMRPREKFSA-N 2 1 396.575 3.846 20 0 GHADMP COC1CCC([NH+](C)Cc2cncc(C[N@H+](C)C3CCC(OC)CC3)c2)CC1 ZINC000562697655 1018546682 /nfs/dbraw/zinc/54/66/82/1018546682.db2.gz JANOGHSBVYIULQ-UHFFFAOYSA-N 2 1 389.584 3.860 20 0 GHADMP C(C[NH+]1CCC[C@@H](C2CCOCC2)C1)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080422 1018839012 /nfs/dbraw/zinc/83/90/12/1018839012.db2.gz DKSHLBAAWSNPJW-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCC[C@H](C2CCOCC2)C1)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080422 1018839029 /nfs/dbraw/zinc/83/90/29/1018839029.db2.gz DKSHLBAAWSNPJW-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCC[C@H](C2CCOCC2)C1)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080422 1018839053 /nfs/dbraw/zinc/83/90/53/1018839053.db2.gz DKSHLBAAWSNPJW-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000563661687 1018941401 /nfs/dbraw/zinc/94/14/01/1018941401.db2.gz IWBJSSUPDUGORW-YSGRDPCXSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000563661687 1018941402 /nfs/dbraw/zinc/94/14/02/1018941402.db2.gz IWBJSSUPDUGORW-YSGRDPCXSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000563661687 1018941406 /nfs/dbraw/zinc/94/14/06/1018941406.db2.gz IWBJSSUPDUGORW-YSGRDPCXSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000563661687 1018941408 /nfs/dbraw/zinc/94/14/08/1018941408.db2.gz IWBJSSUPDUGORW-YSGRDPCXSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000563661686 1018941590 /nfs/dbraw/zinc/94/15/90/1018941590.db2.gz IWBJSSUPDUGORW-XPGWFJOJSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000563661686 1018941592 /nfs/dbraw/zinc/94/15/92/1018941592.db2.gz IWBJSSUPDUGORW-XPGWFJOJSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000563661686 1018941597 /nfs/dbraw/zinc/94/15/97/1018941597.db2.gz IWBJSSUPDUGORW-XPGWFJOJSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000563661686 1018941599 /nfs/dbraw/zinc/94/15/99/1018941599.db2.gz IWBJSSUPDUGORW-XPGWFJOJSA-N 2 1 396.526 3.517 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000565140953 1019168504 /nfs/dbraw/zinc/16/85/04/1019168504.db2.gz DBCBQALMAVIHRW-CALCHBBNSA-N 2 1 398.950 3.612 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000565140953 1019168511 /nfs/dbraw/zinc/16/85/11/1019168511.db2.gz DBCBQALMAVIHRW-CALCHBBNSA-N 2 1 398.950 3.612 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000778550562 1019252081 /nfs/dbraw/zinc/25/20/81/1019252081.db2.gz COOJZICJLOXRBC-NWSQWKLXSA-N 2 1 377.532 3.601 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000778550562 1019252084 /nfs/dbraw/zinc/25/20/84/1019252084.db2.gz COOJZICJLOXRBC-NWSQWKLXSA-N 2 1 377.532 3.601 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204414949 1032845297 /nfs/dbraw/zinc/84/52/97/1032845297.db2.gz UCNKOUIOIILXIU-MOPGFXCFSA-N 2 1 391.437 3.934 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204414949 1032845310 /nfs/dbraw/zinc/84/53/10/1032845310.db2.gz UCNKOUIOIILXIU-MOPGFXCFSA-N 2 1 391.437 3.934 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204414949 1032845324 /nfs/dbraw/zinc/84/53/24/1032845324.db2.gz UCNKOUIOIILXIU-MOPGFXCFSA-N 2 1 391.437 3.934 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001204414949 1032845339 /nfs/dbraw/zinc/84/53/39/1032845339.db2.gz UCNKOUIOIILXIU-MOPGFXCFSA-N 2 1 391.437 3.934 20 0 GHADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000575401867 1019938487 /nfs/dbraw/zinc/93/84/87/1019938487.db2.gz QREJRQGYGZGBEW-JTDSTZFVSA-N 2 1 396.362 3.588 20 0 GHADMP C[C@@H](O)[C@@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000576350233 1020007057 /nfs/dbraw/zinc/00/70/57/1020007057.db2.gz JYTJNTMVFCWKAE-UZUQRXQVSA-N 2 1 385.527 3.568 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC3CC3)c3ccc(OC)cc3)CC2)CC1 ZINC000576767781 1020061616 /nfs/dbraw/zinc/06/16/16/1020061616.db2.gz QNJWDLUQSMKGFY-UHFFFAOYSA-N 2 1 399.579 3.635 20 0 GHADMP Cc1cc(Br)c(C[NH2+]CCCCN2CC[NH+](C)CC2)cc1Cl ZINC000577576985 1020251438 /nfs/dbraw/zinc/25/14/38/1020251438.db2.gz ANXYYAFNVNJDRZ-UHFFFAOYSA-N 2 1 388.781 3.528 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(F)c(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001204482028 1032917144 /nfs/dbraw/zinc/91/71/44/1032917144.db2.gz DAQQJNUCXPVEBZ-SJORKVTESA-N 2 1 396.432 3.532 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3cccc(C[NH+]4CCCC4)c3)c2)CC1 ZINC000629761836 1020766843 /nfs/dbraw/zinc/76/68/43/1020766843.db2.gz LKDJPEISUDXHHH-UHFFFAOYSA-N 2 1 377.532 3.614 20 0 GHADMP C[C@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633154997 1020923046 /nfs/dbraw/zinc/92/30/46/1020923046.db2.gz FVLFYKVBCYNYSS-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)c(C)o1)CC2 ZINC001204532737 1032954454 /nfs/dbraw/zinc/95/44/54/1032954454.db2.gz CYXMXBYNVITRFJ-NRFANRHFSA-N 2 1 383.536 3.795 20 0 GHADMP c1cn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000834508285 1021231675 /nfs/dbraw/zinc/23/16/75/1021231675.db2.gz KQEGERYHSUAFRH-VJBWXMMDSA-N 2 1 387.531 3.800 20 0 GHADMP c1cn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000834508288 1021231794 /nfs/dbraw/zinc/23/17/94/1021231794.db2.gz KQEGERYHSUAFRH-XPWALMASSA-N 2 1 387.531 3.800 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nc(Br)cs1 ZINC000834519283 1021240517 /nfs/dbraw/zinc/24/05/17/1021240517.db2.gz RVQYWTXWYZGBJH-LBPRGKRZSA-N 2 1 384.343 3.697 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834586138 1021283393 /nfs/dbraw/zinc/28/33/93/1021283393.db2.gz ZBEHTNKRKWRKAN-QORCZRPOSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834586138 1021283399 /nfs/dbraw/zinc/28/33/99/1021283399.db2.gz ZBEHTNKRKWRKAN-QORCZRPOSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834586138 1021283406 /nfs/dbraw/zinc/28/34/06/1021283406.db2.gz ZBEHTNKRKWRKAN-QORCZRPOSA-N 3 1 397.607 3.663 20 0 GHADMP c1csc(-c2cccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2)n1 ZINC001140331796 1021427247 /nfs/dbraw/zinc/42/72/47/1021427247.db2.gz GLKQKPQPDNHIGL-UHFFFAOYSA-N 2 1 393.560 3.661 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140385321 1021538472 /nfs/dbraw/zinc/53/84/72/1021538472.db2.gz BWRBLZHGSZBRPA-LJQANCHMSA-N 2 1 396.560 3.880 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)C[NH+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140389876 1021546942 /nfs/dbraw/zinc/54/69/42/1021546942.db2.gz DDJCULZNHRNDMG-NRFANRHFSA-N 2 1 387.955 3.971 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)C[NH+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140389876 1021546951 /nfs/dbraw/zinc/54/69/51/1021546951.db2.gz DDJCULZNHRNDMG-NRFANRHFSA-N 2 1 387.955 3.971 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140389876 1021546969 /nfs/dbraw/zinc/54/69/69/1021546969.db2.gz DDJCULZNHRNDMG-NRFANRHFSA-N 2 1 387.955 3.971 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140389876 1021546983 /nfs/dbraw/zinc/54/69/83/1021546983.db2.gz DDJCULZNHRNDMG-NRFANRHFSA-N 2 1 387.955 3.971 20 0 GHADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140460474 1021750277 /nfs/dbraw/zinc/75/02/77/1021750277.db2.gz DAADVKBKLKOCFB-HNNXBMFYSA-N 2 1 387.281 3.682 20 0 GHADMP Cc1cnccc1O[C@H]1CCN(Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140460474 1021750290 /nfs/dbraw/zinc/75/02/90/1021750290.db2.gz DAADVKBKLKOCFB-HNNXBMFYSA-N 2 1 387.281 3.682 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1)CC(C)C ZINC000679684251 1022034930 /nfs/dbraw/zinc/03/49/30/1022034930.db2.gz NMRGTVATRGPZLH-HXUWFJFHSA-N 2 1 389.588 3.546 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)cn1 ZINC001204742499 1033058576 /nfs/dbraw/zinc/05/85/76/1033058576.db2.gz PPLZBMJXWUJMMB-UHFFFAOYSA-N 2 1 382.346 3.597 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801475 1022570603 /nfs/dbraw/zinc/57/06/03/1022570603.db2.gz OVKAQCQZTDQQDE-NQIIRXRSSA-N 2 1 388.487 3.734 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801475 1022570610 /nfs/dbraw/zinc/57/06/10/1022570610.db2.gz OVKAQCQZTDQQDE-NQIIRXRSSA-N 2 1 388.487 3.734 20 0 GHADMP Fc1cccc(N2CCOC[C@]3(CCC[N@H+](Cc4c[nH]c5cc[nH+]cc45)C3)C2)c1 ZINC001140802923 1022574818 /nfs/dbraw/zinc/57/48/18/1022574818.db2.gz FSRTZUVSKNBOLM-QHCPKHFHSA-N 2 1 394.494 3.821 20 0 GHADMP Fc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4c[nH]c5cc[nH+]cc45)C3)C2)c1 ZINC001140802923 1022574827 /nfs/dbraw/zinc/57/48/27/1022574827.db2.gz FSRTZUVSKNBOLM-QHCPKHFHSA-N 2 1 394.494 3.821 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001204763939 1033075856 /nfs/dbraw/zinc/07/58/56/1033075856.db2.gz UBBVCZVZPMERSN-QFIPXVFZSA-N 2 1 377.532 3.942 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001204763939 1033075870 /nfs/dbraw/zinc/07/58/70/1033075870.db2.gz UBBVCZVZPMERSN-QFIPXVFZSA-N 2 1 377.532 3.942 20 0 GHADMP C[NH+]1CCC2(CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC2)CC1 ZINC001156576868 1033111540 /nfs/dbraw/zinc/11/15/40/1033111540.db2.gz ZDAQORBRNIDZMT-UHFFFAOYSA-N 2 1 375.520 3.792 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(O)c1OC ZINC001141175247 1024010054 /nfs/dbraw/zinc/01/00/54/1024010054.db2.gz OUKNQSDHVRHRNL-LEWJYISDSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(O)c1OC ZINC001141175247 1024010070 /nfs/dbraw/zinc/01/00/70/1024010070.db2.gz OUKNQSDHVRHRNL-LEWJYISDSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(O)c1OC ZINC001141175247 1024010123 /nfs/dbraw/zinc/01/01/23/1024010123.db2.gz OUKNQSDHVRHRNL-LEWJYISDSA-N 2 1 396.531 3.753 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC001141182837 1024028312 /nfs/dbraw/zinc/02/83/12/1024028312.db2.gz JZZDBTJYVGIIOA-RCZVLFRGSA-N 2 1 398.591 3.971 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC001141182837 1024028329 /nfs/dbraw/zinc/02/83/29/1024028329.db2.gz JZZDBTJYVGIIOA-RCZVLFRGSA-N 2 1 398.591 3.971 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC001141182837 1024028343 /nfs/dbraw/zinc/02/83/43/1024028343.db2.gz JZZDBTJYVGIIOA-RCZVLFRGSA-N 2 1 398.591 3.971 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)C1 ZINC001141182837 1024028366 /nfs/dbraw/zinc/02/83/66/1024028366.db2.gz JZZDBTJYVGIIOA-RCZVLFRGSA-N 2 1 398.591 3.971 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c(F)c1 ZINC001141192540 1024068005 /nfs/dbraw/zinc/06/80/05/1024068005.db2.gz AQNHSBYDKBPPNH-YMPZKCBVSA-N 2 1 390.543 3.614 20 0 GHADMP CN(C)c1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001141260976 1024324833 /nfs/dbraw/zinc/32/48/33/1024324833.db2.gz CUIJRJAYRVOURX-OAQYLSRUSA-N 2 1 383.536 3.601 20 0 GHADMP CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000837688515 1024634942 /nfs/dbraw/zinc/63/49/42/1024634942.db2.gz FXGAJULMRLVMGZ-OAHLLOKOSA-N 2 1 378.423 3.625 20 0 GHADMP CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000837688515 1024634948 /nfs/dbraw/zinc/63/49/48/1024634948.db2.gz FXGAJULMRLVMGZ-OAHLLOKOSA-N 2 1 378.423 3.625 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138411408 1024795956 /nfs/dbraw/zinc/79/59/56/1024795956.db2.gz IULQCDVDBRWXQX-MOPGFXCFSA-N 2 1 378.495 3.964 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138411408 1024795964 /nfs/dbraw/zinc/79/59/64/1024795964.db2.gz IULQCDVDBRWXQX-MOPGFXCFSA-N 2 1 378.495 3.964 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138411408 1024795975 /nfs/dbraw/zinc/79/59/75/1024795975.db2.gz IULQCDVDBRWXQX-MOPGFXCFSA-N 2 1 378.495 3.964 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138411408 1024795982 /nfs/dbraw/zinc/79/59/82/1024795982.db2.gz IULQCDVDBRWXQX-MOPGFXCFSA-N 2 1 378.495 3.964 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001138551858 1025006086 /nfs/dbraw/zinc/00/60/86/1025006086.db2.gz OTLCHIYVLBRSMW-CEWLAPEOSA-N 2 1 396.535 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001138551858 1025006092 /nfs/dbraw/zinc/00/60/92/1025006092.db2.gz OTLCHIYVLBRSMW-CEWLAPEOSA-N 2 1 396.535 3.916 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC001141444551 1025073410 /nfs/dbraw/zinc/07/34/10/1025073410.db2.gz RGLNHZPBDIDPIX-VDKIKQQVSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001141444551 1025073419 /nfs/dbraw/zinc/07/34/19/1025073419.db2.gz RGLNHZPBDIDPIX-VDKIKQQVSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001141444551 1025073430 /nfs/dbraw/zinc/07/34/30/1025073430.db2.gz RGLNHZPBDIDPIX-VDKIKQQVSA-N 2 1 397.607 3.725 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1ccccc1N1CCCC1)CC2 ZINC001138611174 1025101492 /nfs/dbraw/zinc/10/14/92/1025101492.db2.gz WVLKTOIXGMMQFH-UHFFFAOYSA-N 2 1 393.579 3.528 20 0 GHADMP COc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2)cc1 ZINC001138615205 1025106336 /nfs/dbraw/zinc/10/63/36/1025106336.db2.gz FXKAIWSICWFXSL-BJKOFHAPSA-N 2 1 379.548 3.572 20 0 GHADMP FC(F)(F)c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001141471020 1025152821 /nfs/dbraw/zinc/15/28/21/1025152821.db2.gz XTNWKUSEIHVCCX-RBUKOAKNSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001141471020 1025152847 /nfs/dbraw/zinc/15/28/47/1025152847.db2.gz XTNWKUSEIHVCCX-RBUKOAKNSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001141471020 1025152851 /nfs/dbraw/zinc/15/28/51/1025152851.db2.gz XTNWKUSEIHVCCX-RBUKOAKNSA-N 2 1 390.453 3.839 20 0 GHADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138768978 1025339097 /nfs/dbraw/zinc/33/90/97/1025339097.db2.gz GBBAHEOPQQUJLQ-UHFFFAOYSA-N 2 1 384.520 3.582 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC001138772684 1025342831 /nfs/dbraw/zinc/34/28/31/1025342831.db2.gz VWTHYRFRFGQIKU-UHFFFAOYSA-N 2 1 387.955 3.598 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H]1Sc1ccccc1 ZINC000838950404 1025468189 /nfs/dbraw/zinc/46/81/89/1025468189.db2.gz NJQIYWCOIHNUTO-VXSCBNMQSA-N 2 1 390.593 3.558 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c1C ZINC001141565101 1025564308 /nfs/dbraw/zinc/56/43/08/1025564308.db2.gz TTWNUZXGKWHEAL-HNNXBMFYSA-N 2 1 398.542 3.570 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000839090313 1025588803 /nfs/dbraw/zinc/58/88/03/1025588803.db2.gz PVUUZMCNUOPIMR-OAQYLSRUSA-N 2 1 385.552 3.737 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(NC[C@]4(CC5CC5)CCC[NH2+]4)ccc3C2)cc1 ZINC001162349806 1025721146 /nfs/dbraw/zinc/72/11/46/1025721146.db2.gz IVGIXPJTKYCAHG-XMMPIXPASA-N 2 1 376.548 3.974 20 0 GHADMP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162454534 1025753371 /nfs/dbraw/zinc/75/33/71/1025753371.db2.gz ORDRWIAHUJOUKC-TZIWHRDSSA-N 2 1 378.564 3.996 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]C/C=C/c2ccc(F)cc2F)[C@@H](c2ccccc2)C1 ZINC001461034063 1069348749 /nfs/dbraw/zinc/34/87/49/1069348749.db2.gz DLQQKZXECJZPOT-DXSBJVNVSA-N 2 1 385.502 3.946 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)[C@H](c2ccccc2)C1 ZINC001461038671 1069353169 /nfs/dbraw/zinc/35/31/69/1069353169.db2.gz XMEVJSRIVIFNDA-QHCPKHFHSA-N 2 1 389.547 3.545 20 0 GHADMP CN1CCN(CCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)[C@H](c2ccccc2)C1 ZINC001461038671 1069353185 /nfs/dbraw/zinc/35/31/85/1069353185.db2.gz XMEVJSRIVIFNDA-QHCPKHFHSA-N 2 1 389.547 3.545 20 0 GHADMP [NH3+]C[C@@H]1Cc2ccccc2CN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001162740787 1025900159 /nfs/dbraw/zinc/90/01/59/1025900159.db2.gz RQFRPDPZLGKFRI-QHCPKHFHSA-N 2 1 384.527 3.530 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccc4c3ccn4CC)CC2)C1 ZINC001139154079 1025973078 /nfs/dbraw/zinc/97/30/78/1025973078.db2.gz ZKGNKFKEIZLHPZ-HXUWFJFHSA-N 2 1 397.563 3.901 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4c3ccn4CC)CC2)C1 ZINC001139154079 1025973094 /nfs/dbraw/zinc/97/30/94/1025973094.db2.gz ZKGNKFKEIZLHPZ-HXUWFJFHSA-N 2 1 397.563 3.901 20 0 GHADMP CCOc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162935856 1025973437 /nfs/dbraw/zinc/97/34/37/1025973437.db2.gz WSWMLATVNHIUIU-OAQYLSRUSA-N 2 1 379.548 3.999 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc(C4CC4)cn3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940436 1025976759 /nfs/dbraw/zinc/97/67/59/1025976759.db2.gz DMAACGCHGHZAAR-JOCHJYFZSA-N 2 1 376.548 3.873 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccnc4ncccc34)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941021 1025977689 /nfs/dbraw/zinc/97/76/89/1025977689.db2.gz OYDCWZBFERDZPL-HXUWFJFHSA-N 2 1 387.531 3.544 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1cc3c(c[nH+]1)C(C)(C)C(=O)N3)CC21CC[NH2+]CC1 ZINC001163031458 1026015214 /nfs/dbraw/zinc/01/52/14/1026015214.db2.gz PZGQPDIYRKMWOB-IBGZPJMESA-N 2 1 376.504 3.798 20 0 GHADMP [NH3+]Cc1ccc(-c2cn(-c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)cn2)cc1 ZINC001163215951 1026091747 /nfs/dbraw/zinc/09/17/47/1026091747.db2.gz RUKMOZWCATXPJF-UHFFFAOYSA-N 2 1 395.510 3.951 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(NC[C@@H]4Cc5ccccc5C[NH2+]4)ccc3C2)cc1 ZINC001163271546 1026116459 /nfs/dbraw/zinc/11/64/59/1026116459.db2.gz AHAXTLMFSOHFHI-QHCPKHFHSA-N 2 1 384.527 3.766 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139287701 1026140736 /nfs/dbraw/zinc/14/07/36/1026140736.db2.gz PQWFWAFXSRWTNU-UHFFFAOYSA-N 2 1 390.549 3.741 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139287701 1026140745 /nfs/dbraw/zinc/14/07/45/1026140745.db2.gz PQWFWAFXSRWTNU-UHFFFAOYSA-N 2 1 390.549 3.741 20 0 GHADMP C[N@H+](Cc1ccc(N2CCC(O)CC2)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139296410 1026148348 /nfs/dbraw/zinc/14/83/48/1026148348.db2.gz JPZSTLUEVKWOIT-HXUWFJFHSA-N 2 1 399.604 3.663 20 0 GHADMP C[NH+](Cc1ccc(N2CCC(O)CC2)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139296410 1026148355 /nfs/dbraw/zinc/14/83/55/1026148355.db2.gz JPZSTLUEVKWOIT-HXUWFJFHSA-N 2 1 399.604 3.663 20 0 GHADMP C[NH+](Cc1ccc(N2CCC(O)CC2)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139296410 1026148365 /nfs/dbraw/zinc/14/83/65/1026148365.db2.gz JPZSTLUEVKWOIT-HXUWFJFHSA-N 2 1 399.604 3.663 20 0 GHADMP COCC[N@@H+](C)[C@H](CNc1cc(C[NH+](C)C)ccn1)c1ccc(Cl)cc1 ZINC001163384942 1026170966 /nfs/dbraw/zinc/17/09/66/1026170966.db2.gz PUTDZGGWQOKJEI-LJQANCHMSA-N 2 1 376.932 3.528 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC001139357036 1026228972 /nfs/dbraw/zinc/22/89/72/1026228972.db2.gz XJTALOVXHQKEPA-AZUAARDMSA-N 2 1 382.508 3.704 20 0 GHADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001139361373 1026235010 /nfs/dbraw/zinc/23/50/10/1026235010.db2.gz KLVWNXVIGYNQMS-OWSFEGEDSA-N 2 1 399.579 3.554 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001461096090 1069386637 /nfs/dbraw/zinc/38/66/37/1069386637.db2.gz NZZJTDNVNIITIF-HSALFYBXSA-N 2 1 375.576 3.789 20 0 GHADMP CCOc1ccncc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001139630233 1026497316 /nfs/dbraw/zinc/49/73/16/1026497316.db2.gz UQIKQVLMVMGPHT-QFIPXVFZSA-N 2 1 395.547 3.736 20 0 GHADMP C[C@H]1CC[C@@H](C[NH3+])CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164474904 1026521038 /nfs/dbraw/zinc/52/10/38/1026521038.db2.gz WUUKEWGTCDXQEG-HOTGVXAUSA-N 2 1 399.608 3.730 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4cccnc4c3)C[C@@H]21 ZINC001139741538 1026582551 /nfs/dbraw/zinc/58/25/51/1026582551.db2.gz LWTZJMFQORVLAR-NHCICSSKSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4cccnc4c3)C[C@@H]21 ZINC001139741538 1026582555 /nfs/dbraw/zinc/58/25/55/1026582555.db2.gz LWTZJMFQORVLAR-NHCICSSKSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4cccnc4c3)C[C@@H]21 ZINC001139741538 1026582564 /nfs/dbraw/zinc/58/25/64/1026582564.db2.gz LWTZJMFQORVLAR-NHCICSSKSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4cccnc4c3)C[C@@H]21 ZINC001139741538 1026582570 /nfs/dbraw/zinc/58/25/70/1026582570.db2.gz LWTZJMFQORVLAR-NHCICSSKSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001139843812 1026660857 /nfs/dbraw/zinc/66/08/57/1026660857.db2.gz INLXEXGLCPTXET-QGZVFWFLSA-N 2 1 381.545 3.697 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc3c4ccccc4sc32)C1 ZINC001139843812 1026660868 /nfs/dbraw/zinc/66/08/68/1026660868.db2.gz INLXEXGLCPTXET-QGZVFWFLSA-N 2 1 381.545 3.697 20 0 GHADMP C[NH+](C)CCN1CC[N@@H+](Cc2cccc3c4ccccc4sc32)CCC1=O ZINC001139843846 1026661418 /nfs/dbraw/zinc/66/14/18/1026661418.db2.gz KTODKHXTNPTPFW-UHFFFAOYSA-N 2 1 381.545 3.650 20 0 GHADMP CCOC[C@H]1CN(Cc2ccccc2-n2ccnc2C)Cc2c1cnn2CC ZINC001140024795 1026811980 /nfs/dbraw/zinc/81/19/80/1026811980.db2.gz JHYKIAZOVJZNNU-LJQANCHMSA-N 2 1 379.508 3.533 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001140026082 1026813219 /nfs/dbraw/zinc/81/32/19/1026813219.db2.gz USQBPHMFVAXFIC-DHIUTWEWSA-N 2 1 386.499 3.951 20 0 GHADMP COc1cc(C[N@@H+](C)Cc2ccccc2-n2ccnc2C)cc(OC)c1OC ZINC001140025867 1026813387 /nfs/dbraw/zinc/81/33/87/1026813387.db2.gz FDGRWCHUPWSIBL-UHFFFAOYSA-N 2 1 381.476 3.839 20 0 GHADMP COc1cc(C[N@H+](C)Cc2ccccc2-n2cc[nH+]c2C)cc(OC)c1OC ZINC001140025867 1026813397 /nfs/dbraw/zinc/81/33/97/1026813397.db2.gz FDGRWCHUPWSIBL-UHFFFAOYSA-N 2 1 381.476 3.839 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(Br)cc2Cl)CC1 ZINC001140076689 1026855880 /nfs/dbraw/zinc/85/58/80/1026855880.db2.gz CIFCGXKDUUBGEV-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP O=C1[C@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000840038161 1027103878 /nfs/dbraw/zinc/10/38/78/1027103878.db2.gz YXDDMZNMIATILC-DHIUTWEWSA-N 2 1 393.575 3.579 20 0 GHADMP O=C1[C@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000840038161 1027103885 /nfs/dbraw/zinc/10/38/85/1027103885.db2.gz YXDDMZNMIATILC-DHIUTWEWSA-N 2 1 393.575 3.579 20 0 GHADMP O=C1[C@@H](C2CC2)[C@H](C2CC2)N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000840076506 1027148598 /nfs/dbraw/zinc/14/85/98/1027148598.db2.gz OEYWWZXQNMOGCQ-GOTSBHOMSA-N 2 1 393.575 3.579 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccccc2)CC1 ZINC001166997463 1027187029 /nfs/dbraw/zinc/18/70/29/1027187029.db2.gz SNGLBRZNTAWWCX-HYBUGGRVSA-N 2 1 391.559 3.645 20 0 GHADMP COc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001203432575 1027336123 /nfs/dbraw/zinc/33/61/23/1027336123.db2.gz RIEGJIIJRRGEAC-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP Brc1ccc2nc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)sc2c1 ZINC001210261916 1027411419 /nfs/dbraw/zinc/41/14/19/1027411419.db2.gz JWYKRBKYFKDCOV-UHFFFAOYSA-N 2 1 390.310 3.607 20 0 GHADMP Fc1cc(Br)c(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210268031 1027415307 /nfs/dbraw/zinc/41/53/07/1027415307.db2.gz SJXWUWDSNVJIPR-UHFFFAOYSA-N 2 1 385.668 3.790 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001210495030 1027533525 /nfs/dbraw/zinc/53/35/25/1027533525.db2.gz YSAOKWQUOVLJEM-MOPGFXCFSA-N 2 1 390.572 3.649 20 0 GHADMP Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2ccc(C[NH+]3CCCC3)cc2)[nH+]1 ZINC001203785784 1027603861 /nfs/dbraw/zinc/60/38/61/1027603861.db2.gz IKJSPKYPHLFGGF-IRXDYDNUSA-N 2 1 381.524 3.738 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)ccc1OC(C)=O ZINC001203829372 1027639175 /nfs/dbraw/zinc/63/91/75/1027639175.db2.gz BZBOVQGMJWRIAK-UHFFFAOYSA-N 2 1 396.531 3.965 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c2ccccc12 ZINC001203992714 1027791425 /nfs/dbraw/zinc/79/14/25/1027791425.db2.gz AGPBZEZNNFXXGA-TZIWHRDSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c2ccccc12 ZINC001203992714 1027791430 /nfs/dbraw/zinc/79/14/30/1027791430.db2.gz AGPBZEZNNFXXGA-TZIWHRDSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c2ccccc12 ZINC001203992714 1027791436 /nfs/dbraw/zinc/79/14/36/1027791436.db2.gz AGPBZEZNNFXXGA-TZIWHRDSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c2ccccc12 ZINC001203992714 1027791441 /nfs/dbraw/zinc/79/14/41/1027791441.db2.gz AGPBZEZNNFXXGA-TZIWHRDSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c2ccccc12 ZINC001203992714 1027791448 /nfs/dbraw/zinc/79/14/48/1027791448.db2.gz AGPBZEZNNFXXGA-TZIWHRDSSA-N 2 1 390.531 3.536 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000840776976 1027816787 /nfs/dbraw/zinc/81/67/87/1027816787.db2.gz QTOSGBFVEVEHNX-LTUTVRHTSA-N 2 1 391.600 3.778 20 0 GHADMP CCC[NH+](CCC)CCN1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC001141990696 1027823806 /nfs/dbraw/zinc/82/38/06/1027823806.db2.gz OHPNJTUDQUHQCG-UHFFFAOYSA-N 2 1 384.568 3.890 20 0 GHADMP CC(C)[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001211244880 1027854935 /nfs/dbraw/zinc/85/49/35/1027854935.db2.gz MDHUBSBTYSSQEA-LEWJYISDSA-N 2 1 380.621 3.697 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(Br)c1O ZINC001204102016 1027874310 /nfs/dbraw/zinc/87/43/10/1027874310.db2.gz FPHQRVQUBODXNQ-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001142016662 1027890352 /nfs/dbraw/zinc/89/03/52/1027890352.db2.gz OLBTWTLISLIBMU-GHTZIAJQSA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001142016662 1027890361 /nfs/dbraw/zinc/89/03/61/1027890361.db2.gz OLBTWTLISLIBMU-GHTZIAJQSA-N 2 1 377.548 3.807 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001211299369 1027899461 /nfs/dbraw/zinc/89/94/61/1027899461.db2.gz ZYHKEJBRINXKDC-NRFANRHFSA-N 2 1 398.595 3.515 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001142046856 1027950811 /nfs/dbraw/zinc/95/08/11/1027950811.db2.gz OGQIUSWMFGFSCR-OAQYLSRUSA-N 2 1 375.601 3.756 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001142046856 1027950812 /nfs/dbraw/zinc/95/08/12/1027950812.db2.gz OGQIUSWMFGFSCR-OAQYLSRUSA-N 2 1 375.601 3.756 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001142046856 1027950817 /nfs/dbraw/zinc/95/08/17/1027950817.db2.gz OGQIUSWMFGFSCR-OAQYLSRUSA-N 2 1 375.601 3.756 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000840959928 1027991595 /nfs/dbraw/zinc/99/15/95/1027991595.db2.gz YJSMCACDYGHFOS-LJQANCHMSA-N 2 1 377.326 3.676 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1CN1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001142172341 1028295949 /nfs/dbraw/zinc/29/59/49/1028295949.db2.gz XNVDUQINKLNUCG-UHFFFAOYSA-N 2 1 398.599 3.619 20 0 GHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC001461377790 1069524904 /nfs/dbraw/zinc/52/49/04/1069524904.db2.gz FLOIBIBXULCYNC-QHCPKHFHSA-N 2 1 390.531 3.632 20 0 GHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3n[nH]c4ccccc43)cc2)C[C@H]1C ZINC001461400526 1069534467 /nfs/dbraw/zinc/53/44/67/1069534467.db2.gz JVGXEQSHSJCRRA-RTBURBONSA-N 2 1 392.547 3.862 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001214829776 1028928480 /nfs/dbraw/zinc/92/84/80/1028928480.db2.gz ASULZEXORAXEDT-FCHUYYIVSA-N 2 1 384.568 3.853 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)c(Cl)c1Cl ZINC001276720832 1029144015 /nfs/dbraw/zinc/14/40/15/1029144015.db2.gz WUVLVZPGHVLRIO-MRXNPFEDSA-N 2 1 398.378 3.582 20 0 GHADMP Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2ccc(C[NH2+]CC(C)C)cc2)[nH+]1 ZINC001215744554 1029378099 /nfs/dbraw/zinc/37/80/99/1029378099.db2.gz XPOQQSKUYNIYIL-IRXDYDNUSA-N 2 1 383.540 3.888 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000842668485 1029469624 /nfs/dbraw/zinc/46/96/24/1029469624.db2.gz KUIQZCQQFIAZAT-UHFFFAOYSA-N 2 1 378.520 3.785 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671842 1029475824 /nfs/dbraw/zinc/47/58/24/1029475824.db2.gz ZHCOOWYAACHIRW-SIKLNZKXSA-N 2 1 396.531 3.524 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671842 1029475831 /nfs/dbraw/zinc/47/58/31/1029475831.db2.gz ZHCOOWYAACHIRW-SIKLNZKXSA-N 2 1 396.531 3.524 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1OC(=O)CC ZINC000842763572 1029571513 /nfs/dbraw/zinc/57/15/13/1029571513.db2.gz NZHDYZABBAEYQF-RTWAWAEBSA-N 2 1 396.531 3.836 20 0 GHADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127068 1029817833 /nfs/dbraw/zinc/81/78/33/1029817833.db2.gz OHZPJVSXFHEJDN-IYBDPMFKSA-N 2 1 393.362 3.978 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143092325 1029839507 /nfs/dbraw/zinc/83/95/07/1029839507.db2.gz XQDAOBVIJAGSJW-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143092325 1029839520 /nfs/dbraw/zinc/83/95/20/1029839520.db2.gz XQDAOBVIJAGSJW-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143092325 1029839526 /nfs/dbraw/zinc/83/95/26/1029839526.db2.gz XQDAOBVIJAGSJW-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143092325 1029839531 /nfs/dbraw/zinc/83/95/31/1029839531.db2.gz XQDAOBVIJAGSJW-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP CC(C)C[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000843206537 1029851733 /nfs/dbraw/zinc/85/17/33/1029851733.db2.gz NVQBDJQOIOSSAC-INIZCTEOSA-N 2 1 377.920 3.578 20 0 GHADMP CC(C)C[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000843206537 1029851737 /nfs/dbraw/zinc/85/17/37/1029851737.db2.gz NVQBDJQOIOSSAC-INIZCTEOSA-N 2 1 377.920 3.578 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4cccnc4[nH]3)C[C@H]21 ZINC001143220165 1029924763 /nfs/dbraw/zinc/92/47/63/1029924763.db2.gz HCZXKVDPFBBBBV-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4cccnc4[nH]3)C[C@H]21 ZINC001143220165 1029924767 /nfs/dbraw/zinc/92/47/67/1029924767.db2.gz HCZXKVDPFBBBBV-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4cccnc4[nH]3)C[C@H]21 ZINC001143220165 1029924768 /nfs/dbraw/zinc/92/47/68/1029924768.db2.gz HCZXKVDPFBBBBV-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4cccnc4[nH]3)C[C@H]21 ZINC001143220165 1029924769 /nfs/dbraw/zinc/92/47/69/1029924769.db2.gz HCZXKVDPFBBBBV-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000843343392 1029927303 /nfs/dbraw/zinc/92/73/03/1029927303.db2.gz SOCBURZIPKRIOW-HXUWFJFHSA-N 2 1 392.547 3.931 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000843363653 1029941192 /nfs/dbraw/zinc/94/11/92/1029941192.db2.gz HMCPIDJACHAIOG-SFHVURJKSA-N 2 1 396.362 3.732 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363784 1029942153 /nfs/dbraw/zinc/94/21/53/1029942153.db2.gz QEQIXQYAZFIREW-ZDUSSCGKSA-N 2 1 380.414 3.892 20 0 GHADMP C[NH2+]Cc1ccc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)cc1 ZINC001216901719 1029989114 /nfs/dbraw/zinc/98/91/14/1029989114.db2.gz FWCUYONUYNKOJP-HXUWFJFHSA-N 2 1 389.434 3.994 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)o1 ZINC001222181417 1029990237 /nfs/dbraw/zinc/99/02/37/1029990237.db2.gz GNUUHWLQCMQADX-UHFFFAOYSA-N 2 1 380.410 3.920 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)o1 ZINC001222181417 1029990242 /nfs/dbraw/zinc/99/02/42/1029990242.db2.gz GNUUHWLQCMQADX-UHFFFAOYSA-N 2 1 380.410 3.920 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426753 1029997918 /nfs/dbraw/zinc/99/79/18/1029997918.db2.gz JMGPZKIDISLMRB-PBASOCQRSA-N 2 1 387.568 3.567 20 0 GHADMP Fc1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc(OCc2ccccc2)c1 ZINC001222408132 1030113099 /nfs/dbraw/zinc/11/30/99/1030113099.db2.gz ZVLPYRMNRJSPMD-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP c1cn2cccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)c2n1 ZINC001222582828 1030210283 /nfs/dbraw/zinc/21/02/83/1030210283.db2.gz HWLBCJTUQVZLCE-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cccnc12 ZINC001222590554 1030216153 /nfs/dbraw/zinc/21/61/53/1030216153.db2.gz JGUNLZANLNKANC-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cccnc12 ZINC001222590554 1030216164 /nfs/dbraw/zinc/21/61/64/1030216164.db2.gz JGUNLZANLNKANC-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1cc2cc(C[N@@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccn2n1 ZINC001222590724 1030216771 /nfs/dbraw/zinc/21/67/71/1030216771.db2.gz MMGVZWWWHUHMCX-HSZRJFAPSA-N 2 1 390.531 3.638 20 0 GHADMP c1cc2cc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccn2n1 ZINC001222590724 1030216788 /nfs/dbraw/zinc/21/67/88/1030216788.db2.gz MMGVZWWWHUHMCX-HSZRJFAPSA-N 2 1 390.531 3.638 20 0 GHADMP COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1OCC1CC1 ZINC001222615157 1030239936 /nfs/dbraw/zinc/23/99/36/1030239936.db2.gz LZXGLAOIXPVWNH-NRFANRHFSA-N 2 1 378.516 3.673 20 0 GHADMP COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1OCC1CC1 ZINC001222615157 1030239943 /nfs/dbraw/zinc/23/99/43/1030239943.db2.gz LZXGLAOIXPVWNH-NRFANRHFSA-N 2 1 378.516 3.673 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1Cl ZINC001223556349 1030635211 /nfs/dbraw/zinc/63/52/11/1030635211.db2.gz GQPNGYXQTQDLBJ-VDUSKEEQSA-N 2 1 380.964 3.505 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CCC[NH2+]C[C@H]2F)c1-3 ZINC001217949792 1030682510 /nfs/dbraw/zinc/68/25/10/1030682510.db2.gz QHYBYOSQNIJRPS-GGPKGHCWSA-N 2 1 382.479 3.613 20 0 GHADMP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001150960201 1030721648 /nfs/dbraw/zinc/72/16/48/1030721648.db2.gz BBAPLPXEWWROJU-QTEQDKRBSA-N 2 1 379.548 3.801 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccccc2OC2CC(C(=O)OCc3ccccc3)C2)CC1 ZINC001218231652 1030843071 /nfs/dbraw/zinc/84/30/71/1030843071.db2.gz VXUHOVNPDGOXRD-UHFFFAOYSA-N 2 1 394.515 3.511 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2ccccc2N2CC[NH2+]CC2)C3)cc1 ZINC001218344472 1030904859 /nfs/dbraw/zinc/90/48/59/1030904859.db2.gz YFQKLZNTNFQPAY-ZBYYUNFXSA-N 2 1 377.532 3.671 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001224178291 1030914635 /nfs/dbraw/zinc/91/46/35/1030914635.db2.gz ROQMVXUXYCUEMC-PXNSSMCTSA-N 2 1 394.991 3.897 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001152023579 1031078155 /nfs/dbraw/zinc/07/81/55/1031078155.db2.gz LDYMWHIBALKSRN-XZOQPEGZSA-N 2 1 379.548 3.850 20 0 GHADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](OC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224961293 1031194046 /nfs/dbraw/zinc/19/40/46/1031194046.db2.gz NXEGYVBXTZOTIA-MZYLBHOOSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224961293 1031194056 /nfs/dbraw/zinc/19/40/56/1031194056.db2.gz NXEGYVBXTZOTIA-MZYLBHOOSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224961293 1031194064 /nfs/dbraw/zinc/19/40/64/1031194064.db2.gz NXEGYVBXTZOTIA-MZYLBHOOSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224961293 1031194078 /nfs/dbraw/zinc/19/40/78/1031194078.db2.gz NXEGYVBXTZOTIA-MZYLBHOOSA-N 2 1 395.547 3.525 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1cccc2c1C[NH2+]C2)[C@H](C)Cc1ccc(OC)cc1 ZINC001218993390 1031199146 /nfs/dbraw/zinc/19/91/46/1031199146.db2.gz NQSKAZXHPAYEJK-GOSISDBHSA-N 2 1 395.547 3.970 20 0 GHADMP CO[C@H]([C@@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC001219023443 1031216685 /nfs/dbraw/zinc/21/66/85/1031216685.db2.gz CRESKTTXHKDKOV-VOQZNFBZSA-N 2 1 387.568 3.793 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC001225279109 1031329426 /nfs/dbraw/zinc/32/94/26/1031329426.db2.gz DALFGQKITCUXSE-IBGZPJMESA-N 2 1 380.621 3.649 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001153057513 1031443153 /nfs/dbraw/zinc/44/31/53/1031443153.db2.gz DJEHVZUYMHQPAY-QFBILLFUSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001219711560 1031571445 /nfs/dbraw/zinc/57/14/45/1031571445.db2.gz HNKIAJCKXARGCK-YLJYHZDGSA-N 2 1 381.524 3.664 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001219711560 1031571463 /nfs/dbraw/zinc/57/14/63/1031571463.db2.gz HNKIAJCKXARGCK-YLJYHZDGSA-N 2 1 381.524 3.664 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001153638971 1031684025 /nfs/dbraw/zinc/68/40/25/1031684025.db2.gz ZBLYVUDFUJHSBQ-UTKZUKDTSA-N 2 1 376.504 3.541 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001219940990 1031708758 /nfs/dbraw/zinc/70/87/58/1031708758.db2.gz KBQCMPNAIUHPFT-XWGVYQGASA-N 2 1 391.559 3.756 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001220552733 1031986905 /nfs/dbraw/zinc/98/69/05/1031986905.db2.gz VFHIFNOUUCZBOB-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205582711 1033479514 /nfs/dbraw/zinc/47/95/14/1033479514.db2.gz YGEYLOWCUGBMSO-IBGZPJMESA-N 2 1 381.879 3.651 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(Cl)cccc2I)CC1 ZINC001205582804 1033479679 /nfs/dbraw/zinc/47/96/79/1033479679.db2.gz ZCOLKUVUOREANX-CQSZACIVSA-N 2 1 396.675 3.598 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Cl)cccc2I)CC1 ZINC001205582804 1033479686 /nfs/dbraw/zinc/47/96/86/1033479686.db2.gz ZCOLKUVUOREANX-CQSZACIVSA-N 2 1 396.675 3.598 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2I)CC[C@@H]1C[NH3+] ZINC001205638587 1033505445 /nfs/dbraw/zinc/50/54/45/1033505445.db2.gz PNCIMZHCLBBRGI-VXGBXAGGSA-N 2 1 392.712 3.751 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205639033 1033505750 /nfs/dbraw/zinc/50/57/50/1033505750.db2.gz VBJGYBCYZPWDEZ-DGCLKSJQSA-N 2 1 375.738 3.918 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)c2n1 ZINC001205638510 1033505832 /nfs/dbraw/zinc/50/58/32/1033505832.db2.gz OTFAGFQAKGDPDP-UONOGXRCSA-N 2 1 392.341 3.813 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(I)c2)CC[C@H]1C[NH3+] ZINC001205639514 1033507135 /nfs/dbraw/zinc/50/71/35/1033507135.db2.gz ZQRFZCFDCOMZFE-YPMHNXCESA-N 2 1 392.712 3.751 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)n1 ZINC001205697244 1033534524 /nfs/dbraw/zinc/53/45/24/1033534524.db2.gz VNFZYZDPOCMDBS-UHFFFAOYSA-N 2 1 375.557 3.838 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c2n1 ZINC001206012243 1033685672 /nfs/dbraw/zinc/68/56/72/1033685672.db2.gz JGTCVGQMVSQUML-KBPBESRZSA-N 2 1 392.341 3.813 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157752953 1033753818 /nfs/dbraw/zinc/75/38/18/1033753818.db2.gz BFDTYSCHAWJUDR-KPFFTGBYSA-N 2 1 397.485 3.527 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157752953 1033753836 /nfs/dbraw/zinc/75/38/36/1033753836.db2.gz BFDTYSCHAWJUDR-KPFFTGBYSA-N 2 1 397.485 3.527 20 0 GHADMP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC001206584397 1033915112 /nfs/dbraw/zinc/91/51/12/1033915112.db2.gz YVQJIYMUFNVCCE-OAHLLOKOSA-N 2 1 385.346 3.819 20 0 GHADMP CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1OCCCOC ZINC001206590458 1033917554 /nfs/dbraw/zinc/91/75/54/1033917554.db2.gz MGPQQZLOXJXDNO-HXUWFJFHSA-N 2 1 378.557 3.853 20 0 GHADMP COc1cc(Br)c2cc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]CC3)[nH]c2n1 ZINC001206598107 1033919216 /nfs/dbraw/zinc/91/92/16/1033919216.db2.gz HWXKHVGLLBZFEA-CQSZACIVSA-N 2 1 395.345 3.687 20 0 GHADMP [NH3+]CCSC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)no1 ZINC001206629908 1033930249 /nfs/dbraw/zinc/93/02/49/1033930249.db2.gz DYZXKMDUXLBWDS-INIZCTEOSA-N 2 1 390.896 3.874 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2)cc1 ZINC001230195215 1033939661 /nfs/dbraw/zinc/93/96/61/1033939661.db2.gz MGFMKSSHOYLNDJ-LJQANCHMSA-N 2 1 388.600 3.614 20 0 GHADMP Cc1cnc(C[NH3+])n1-c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001158165933 1033947913 /nfs/dbraw/zinc/94/79/13/1033947913.db2.gz AAVBVLQZIHOVGM-UHFFFAOYSA-N 2 1 396.564 3.509 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206727923 1033959057 /nfs/dbraw/zinc/95/90/57/1033959057.db2.gz NZMFWEFAQHBRPK-XMMPIXPASA-N 2 1 394.559 3.982 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206727923 1033959059 /nfs/dbraw/zinc/95/90/59/1033959059.db2.gz NZMFWEFAQHBRPK-XMMPIXPASA-N 2 1 394.559 3.982 20 0 GHADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC001206990959 1034044230 /nfs/dbraw/zinc/04/42/30/1034044230.db2.gz JQBPWGOLBFQGQR-GPXOXTDOSA-N 2 1 394.559 3.912 20 0 GHADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC001206990959 1034044242 /nfs/dbraw/zinc/04/42/42/1034044242.db2.gz JQBPWGOLBFQGQR-GPXOXTDOSA-N 2 1 394.559 3.912 20 0 GHADMP COCC[N@H+](C/C(C)=C/c1ccccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC001207076597 1034082015 /nfs/dbraw/zinc/08/20/15/1034082015.db2.gz UBJQCQDEBCXQKD-SAPNQHFASA-N 2 1 382.495 3.982 20 0 GHADMP C[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207216843 1034184010 /nfs/dbraw/zinc/18/40/10/1034184010.db2.gz MTKKSTSSXOXZGB-GOSISDBHSA-N 2 1 379.589 3.972 20 0 GHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1(C)C ZINC001207273250 1034229877 /nfs/dbraw/zinc/22/98/77/1034229877.db2.gz WNYRZOIJIRYLEK-CQOQZXRMSA-N 2 1 389.628 3.630 20 0 GHADMP CC1=CC[C@H](CC[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)C1(C)C ZINC001207273250 1034229895 /nfs/dbraw/zinc/22/98/95/1034229895.db2.gz WNYRZOIJIRYLEK-CQOQZXRMSA-N 2 1 389.628 3.630 20 0 GHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)C1(C)C ZINC001207273250 1034229908 /nfs/dbraw/zinc/22/99/08/1034229908.db2.gz WNYRZOIJIRYLEK-CQOQZXRMSA-N 2 1 389.628 3.630 20 0 GHADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1(C)C ZINC001207280912 1034235257 /nfs/dbraw/zinc/23/52/57/1034235257.db2.gz TYVUUPKABDSDSM-DNVJHFABSA-N 2 1 383.580 3.987 20 0 GHADMP CC1=CC[C@H](CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1(C)C ZINC001207280912 1034235272 /nfs/dbraw/zinc/23/52/72/1034235272.db2.gz TYVUUPKABDSDSM-DNVJHFABSA-N 2 1 383.580 3.987 20 0 GHADMP CC1=CC[C@H](CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1(C)C ZINC001207280912 1034235287 /nfs/dbraw/zinc/23/52/87/1034235287.db2.gz TYVUUPKABDSDSM-DNVJHFABSA-N 2 1 383.580 3.987 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207286882 1034238865 /nfs/dbraw/zinc/23/88/65/1034238865.db2.gz OSBMIAABBWDJLO-NRFANRHFSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207291283 1034242637 /nfs/dbraw/zinc/24/26/37/1034242637.db2.gz MWRGSKSPJPEPIY-NRFANRHFSA-N 2 1 387.568 3.888 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292899 1034245256 /nfs/dbraw/zinc/24/52/56/1034245256.db2.gz CSLJCHPZKUDNLA-QHCPKHFHSA-N 2 1 389.543 3.629 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001207293369 1034245453 /nfs/dbraw/zinc/24/54/53/1034245453.db2.gz IKAUSNKPWQPTCL-QFIPXVFZSA-N 2 1 395.547 3.846 20 0 GHADMP CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001207301582 1034252837 /nfs/dbraw/zinc/25/28/37/1034252837.db2.gz IMPAETPZYNRFFO-UHFFFAOYSA-N 2 1 398.551 3.747 20 0 GHADMP CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001207301582 1034252853 /nfs/dbraw/zinc/25/28/53/1034252853.db2.gz IMPAETPZYNRFFO-UHFFFAOYSA-N 2 1 398.551 3.747 20 0 GHADMP C[NH+]1CCC(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001207394834 1034340264 /nfs/dbraw/zinc/34/02/64/1034340264.db2.gz NCNCGGCIDUKOGW-QUCCMNQESA-N 2 1 385.552 3.799 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1C[N@@H+]2CC1CC[NH2+]CC1 ZINC001207443366 1034370991 /nfs/dbraw/zinc/37/09/91/1034370991.db2.gz SFBBMOVYIQDNQW-UHFFFAOYSA-N 2 1 385.552 3.728 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2)CC2CC[NH2+]CC2)C1 ZINC001207440673 1034371086 /nfs/dbraw/zinc/37/10/86/1034371086.db2.gz BSFMWPGIWKGDHK-OAQYLSRUSA-N 2 1 387.568 3.888 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001207482036 1034392302 /nfs/dbraw/zinc/39/23/02/1034392302.db2.gz RBJQSBCGODKNEW-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP Cc1nc(CN2CC[N@H+](CCC3CC[NH+](C)CC3)Cc3ccc(C)nc32)cs1 ZINC001207481346 1034392446 /nfs/dbraw/zinc/39/24/46/1034392446.db2.gz CEVJVKOSBMHQPW-UHFFFAOYSA-N 2 1 399.608 3.709 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CCc1ccc(C(C)C)cc1)CCC2 ZINC001207520585 1034424309 /nfs/dbraw/zinc/42/43/09/1034424309.db2.gz GCWHDNOWIRKHCD-UHFFFAOYSA-N 2 1 396.579 3.657 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCc1cccc(C)c1)CC2 ZINC001207535040 1034439177 /nfs/dbraw/zinc/43/91/77/1034439177.db2.gz TWUOEPXNSMYOIL-XMMPIXPASA-N 2 1 393.575 3.936 20 0 GHADMP CCN(C(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC001207563986 1034451670 /nfs/dbraw/zinc/45/16/70/1034451670.db2.gz IYNPNLRXGNXCCL-FUDKSRODSA-N 2 1 377.532 3.682 20 0 GHADMP CCN(C(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC001207563986 1034451676 /nfs/dbraw/zinc/45/16/76/1034451676.db2.gz IYNPNLRXGNXCCL-FUDKSRODSA-N 2 1 377.532 3.682 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccc(Cl)cc1)C2 ZINC001207597132 1034474159 /nfs/dbraw/zinc/47/41/59/1034474159.db2.gz YUCYPFMLEAWILZ-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207597132 1034474162 /nfs/dbraw/zinc/47/41/62/1034474162.db2.gz YUCYPFMLEAWILZ-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207597132 1034474167 /nfs/dbraw/zinc/47/41/67/1034474167.db2.gz YUCYPFMLEAWILZ-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001159207608 1034484375 /nfs/dbraw/zinc/48/43/75/1034484375.db2.gz HSQCFFWGMUPCNE-GMAHTHKFSA-N 2 1 387.612 3.766 20 0 GHADMP C[C@H]1C[C@@H](c2ccncc2Nc2cccc(CC[NH+]3CCOCC3)c2)C[C@@H]([NH3+])C1 ZINC001159388631 1034574461 /nfs/dbraw/zinc/57/44/61/1034574461.db2.gz IUSPRRYGFQBEDM-TYPHKJRUSA-N 2 1 394.563 3.931 20 0 GHADMP CC[NH+]1CCC([N@H+](C)CC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207803947 1034584028 /nfs/dbraw/zinc/58/40/28/1034584028.db2.gz MKKAKYVUZOCVIS-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)CC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207803947 1034584037 /nfs/dbraw/zinc/58/40/37/1034584037.db2.gz MKKAKYVUZOCVIS-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cccnc34)C[C@H]21 ZINC001231489346 1034634215 /nfs/dbraw/zinc/63/42/15/1034634215.db2.gz JJALYAUWSMQJKT-NQSCKRDGSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cccnc34)C[C@H]21 ZINC001231489346 1034634218 /nfs/dbraw/zinc/63/42/18/1034634218.db2.gz JJALYAUWSMQJKT-NQSCKRDGSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cccnc34)C[C@H]21 ZINC001231489346 1034634222 /nfs/dbraw/zinc/63/42/22/1034634222.db2.gz JJALYAUWSMQJKT-NQSCKRDGSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cccnc34)C[C@H]21 ZINC001231489346 1034634224 /nfs/dbraw/zinc/63/42/24/1034634224.db2.gz JJALYAUWSMQJKT-NQSCKRDGSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)o1 ZINC001207945340 1034674678 /nfs/dbraw/zinc/67/46/78/1034674678.db2.gz UZCBMBJUCKDQBJ-VWNXMTODSA-N 2 1 386.580 3.981 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)o1 ZINC001207945340 1034674685 /nfs/dbraw/zinc/67/46/85/1034674685.db2.gz UZCBMBJUCKDQBJ-VWNXMTODSA-N 2 1 386.580 3.981 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)o1 ZINC001207945340 1034674691 /nfs/dbraw/zinc/67/46/91/1034674691.db2.gz UZCBMBJUCKDQBJ-VWNXMTODSA-N 2 1 386.580 3.981 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+](C2CCC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208116671 1034744768 /nfs/dbraw/zinc/74/47/68/1034744768.db2.gz ZYAWCLLSDKGGRT-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CC/C=C\CCC[NH+]1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001208136167 1034751013 /nfs/dbraw/zinc/75/10/13/1034751013.db2.gz SJJDBXSZOWDINS-QATSOJGNSA-N 2 1 378.601 3.962 20 0 GHADMP CS[C@@H](C)CC[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208151532 1034757630 /nfs/dbraw/zinc/75/76/30/1034757630.db2.gz WNXMXAVBQPNVQK-INIZCTEOSA-N 2 1 385.618 3.582 20 0 GHADMP C[NH+](C)CC1(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)CCCC1 ZINC001208184848 1034780177 /nfs/dbraw/zinc/78/01/77/1034780177.db2.gz QLMPSSBOJLDQFF-KDURUIRLSA-N 2 1 379.589 3.687 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208208421 1034798091 /nfs/dbraw/zinc/79/80/91/1034798091.db2.gz GAYSIIZKDZXRFS-NEWSRXKRSA-N 2 1 384.545 3.719 20 0 GHADMP c1cc2cc(CN3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)ncc2[nH]1 ZINC001231666550 1034822349 /nfs/dbraw/zinc/82/23/49/1034822349.db2.gz OARMZLJCVDRDNA-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)ncc2[nH]1 ZINC001231666550 1034822363 /nfs/dbraw/zinc/82/23/63/1034822363.db2.gz OARMZLJCVDRDNA-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)ncc2[nH]1 ZINC001231666550 1034822376 /nfs/dbraw/zinc/82/23/76/1034822376.db2.gz OARMZLJCVDRDNA-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)ncc2[nH]1 ZINC001231666550 1034822390 /nfs/dbraw/zinc/82/23/90/1034822390.db2.gz OARMZLJCVDRDNA-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)ncc2[nH]1 ZINC001231666550 1034822403 /nfs/dbraw/zinc/82/24/03/1034822403.db2.gz OARMZLJCVDRDNA-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(NCC(C)(C)[NH3+])c23)C1 ZINC001160031760 1034837256 /nfs/dbraw/zinc/83/72/56/1034837256.db2.gz HXBBWYXUXASBMH-AWEZNQCLSA-N 2 1 387.597 3.951 20 0 GHADMP COc1ncc(F)cc1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001231740363 1034875353 /nfs/dbraw/zinc/87/53/53/1034875353.db2.gz BEKHOOGFULHPEH-UHFFFAOYSA-N 2 1 375.513 3.779 20 0 GHADMP COc1ncc(F)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001231740363 1034875361 /nfs/dbraw/zinc/87/53/61/1034875361.db2.gz BEKHOOGFULHPEH-UHFFFAOYSA-N 2 1 375.513 3.779 20 0 GHADMP Cc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001160226340 1034908841 /nfs/dbraw/zinc/90/88/41/1034908841.db2.gz VQHALGNXJIZWCV-UHFFFAOYSA-N 2 1 381.520 3.702 20 0 GHADMP Cc1nc(-c2ccccc2)ncc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001231796285 1034914218 /nfs/dbraw/zinc/91/42/18/1034914218.db2.gz VESTYXKCTMGYPS-VWNXMTODSA-N 2 1 399.542 3.801 20 0 GHADMP Cc1nc(-c2ccccc2)ncc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001231796285 1034914219 /nfs/dbraw/zinc/91/42/19/1034914219.db2.gz VESTYXKCTMGYPS-VWNXMTODSA-N 2 1 399.542 3.801 20 0 GHADMP Cc1nc(-c2ccccc2)ncc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001231796285 1034914224 /nfs/dbraw/zinc/91/42/24/1034914224.db2.gz VESTYXKCTMGYPS-VWNXMTODSA-N 2 1 399.542 3.801 20 0 GHADMP Cc1nc(-c2ccccc2)ncc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001231796285 1034914227 /nfs/dbraw/zinc/91/42/27/1034914227.db2.gz VESTYXKCTMGYPS-VWNXMTODSA-N 2 1 399.542 3.801 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccc(C[C@@H]4CCC[NH2+]C4)cc3)c2)CC1 ZINC001160265143 1034923200 /nfs/dbraw/zinc/92/32/00/1034923200.db2.gz KGHYMWFHTQGKTE-NRFANRHFSA-N 2 1 378.564 3.720 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(-c5ccccc5)o4)C[C@H]3C2)cn1 ZINC001231812228 1034924551 /nfs/dbraw/zinc/92/45/51/1034924551.db2.gz SXZUCTHBTPTHIT-NHCUHLMSSA-N 2 1 376.504 3.634 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(-c5ccccc5)o4)C[C@H]3C2)cn1 ZINC001231812228 1034924559 /nfs/dbraw/zinc/92/45/59/1034924559.db2.gz SXZUCTHBTPTHIT-NHCUHLMSSA-N 2 1 376.504 3.634 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(-c5ccccc5)o4)C[C@H]3C2)cn1 ZINC001231812228 1034924562 /nfs/dbraw/zinc/92/45/62/1034924562.db2.gz SXZUCTHBTPTHIT-NHCUHLMSSA-N 2 1 376.504 3.634 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(-c5ccccc5)o4)C[C@H]3C2)cn1 ZINC001231812228 1034924565 /nfs/dbraw/zinc/92/45/65/1034924565.db2.gz SXZUCTHBTPTHIT-NHCUHLMSSA-N 2 1 376.504 3.634 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCC[NH+](Cc3ccncc3)CC2)cc1 ZINC001208582896 1034940749 /nfs/dbraw/zinc/94/07/49/1034940749.db2.gz QKYJVNPUANIQBC-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CCC[N@H+](Cc3ccncc3)CC2)cc1 ZINC001208582896 1034940758 /nfs/dbraw/zinc/94/07/58/1034940758.db2.gz QKYJVNPUANIQBC-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CCC[N@@H+](Cc3ccncc3)CC2)cc1 ZINC001208582896 1034940764 /nfs/dbraw/zinc/94/07/64/1034940764.db2.gz QKYJVNPUANIQBC-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208624826 1034959071 /nfs/dbraw/zinc/95/90/71/1034959071.db2.gz QQQBWDLGGNUFLX-VXKWHMMOSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208624826 1034959073 /nfs/dbraw/zinc/95/90/73/1034959073.db2.gz QQQBWDLGGNUFLX-VXKWHMMOSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208624826 1034959076 /nfs/dbraw/zinc/95/90/76/1034959076.db2.gz QQQBWDLGGNUFLX-VXKWHMMOSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001231875458 1034960170 /nfs/dbraw/zinc/96/01/70/1034960170.db2.gz LCHWTBQYCDEPDK-UHFFFAOYSA-N 2 1 382.552 3.613 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001231875458 1034960174 /nfs/dbraw/zinc/96/01/74/1034960174.db2.gz LCHWTBQYCDEPDK-UHFFFAOYSA-N 2 1 382.552 3.613 20 0 GHADMP CC(C)c1ccccc1C[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001231875458 1034960177 /nfs/dbraw/zinc/96/01/77/1034960177.db2.gz LCHWTBQYCDEPDK-UHFFFAOYSA-N 2 1 382.552 3.613 20 0 GHADMP CC(C)c1ccccc1C[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001231875458 1034960178 /nfs/dbraw/zinc/96/01/78/1034960178.db2.gz LCHWTBQYCDEPDK-UHFFFAOYSA-N 2 1 382.552 3.613 20 0 GHADMP C[C@@H](C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2)OCc1ccccc1 ZINC001208701039 1034984797 /nfs/dbraw/zinc/98/47/97/1034984797.db2.gz FOZAOUSEYSYZRZ-QFIPXVFZSA-N 2 1 394.559 3.959 20 0 GHADMP [NH3+]C[C@]1(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)C[NH+]2CCC1CC2 ZINC001160511549 1034992609 /nfs/dbraw/zinc/99/26/09/1034992609.db2.gz OOZTYEGFEHJRBH-DEOSSOPVSA-N 2 1 385.515 3.646 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC001231971754 1035016678 /nfs/dbraw/zinc/01/66/78/1035016678.db2.gz SDOMPNNKSACYHD-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC001231971754 1035016685 /nfs/dbraw/zinc/01/66/85/1035016685.db2.gz SDOMPNNKSACYHD-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC001231971754 1035016696 /nfs/dbraw/zinc/01/66/96/1035016696.db2.gz SDOMPNNKSACYHD-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@@H]21 ZINC001231971754 1035016703 /nfs/dbraw/zinc/01/67/03/1035016703.db2.gz SDOMPNNKSACYHD-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP CC[N@@H+](CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1)C1COC1 ZINC001208820898 1035039036 /nfs/dbraw/zinc/03/90/36/1035039036.db2.gz PRHIOJDYORZELA-UHFFFAOYSA-N 2 1 388.552 3.575 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908973 1035085636 /nfs/dbraw/zinc/08/56/36/1035085636.db2.gz RHUOGYCVJSJFMN-ZCYQVOJMSA-N 2 1 397.607 3.583 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908973 1035085648 /nfs/dbraw/zinc/08/56/48/1035085648.db2.gz RHUOGYCVJSJFMN-ZCYQVOJMSA-N 2 1 397.607 3.583 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908973 1035085659 /nfs/dbraw/zinc/08/56/59/1035085659.db2.gz RHUOGYCVJSJFMN-ZCYQVOJMSA-N 2 1 397.607 3.583 20 0 GHADMP c1csc(CC[NH+]2CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208936316 1035103433 /nfs/dbraw/zinc/10/34/33/1035103433.db2.gz ODGPTIVPWDYBNY-QFIPXVFZSA-N 2 1 383.605 3.820 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)c2cccc([C@@H](C)[NH3+])c2)cc1 ZINC001160958355 1035106031 /nfs/dbraw/zinc/10/60/31/1035106031.db2.gz VHYLIEDIJGCBKB-GCJKJVERSA-N 2 1 395.547 3.842 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938967 1035106900 /nfs/dbraw/zinc/10/69/00/1035106900.db2.gz AJRMKPXFLROMCL-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938967 1035106903 /nfs/dbraw/zinc/10/69/03/1035106903.db2.gz AJRMKPXFLROMCL-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938967 1035106905 /nfs/dbraw/zinc/10/69/05/1035106905.db2.gz AJRMKPXFLROMCL-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938967 1035106907 /nfs/dbraw/zinc/10/69/07/1035106907.db2.gz AJRMKPXFLROMCL-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208939022 1035107251 /nfs/dbraw/zinc/10/72/51/1035107251.db2.gz AVEDWACQKBGXLE-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208939022 1035107254 /nfs/dbraw/zinc/10/72/54/1035107254.db2.gz AVEDWACQKBGXLE-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208939022 1035107257 /nfs/dbraw/zinc/10/72/57/1035107257.db2.gz AVEDWACQKBGXLE-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208939022 1035107261 /nfs/dbraw/zinc/10/72/61/1035107261.db2.gz AVEDWACQKBGXLE-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939476 1035108203 /nfs/dbraw/zinc/10/82/03/1035108203.db2.gz BWGXBPRGJGXHOQ-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939476 1035108211 /nfs/dbraw/zinc/10/82/11/1035108211.db2.gz BWGXBPRGJGXHOQ-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939476 1035108220 /nfs/dbraw/zinc/10/82/20/1035108220.db2.gz BWGXBPRGJGXHOQ-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939476 1035108225 /nfs/dbraw/zinc/10/82/25/1035108225.db2.gz BWGXBPRGJGXHOQ-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941771 1035111123 /nfs/dbraw/zinc/11/11/23/1035111123.db2.gz NAZMSMZXYBLCDH-PZJWPPBQSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941771 1035111125 /nfs/dbraw/zinc/11/11/25/1035111125.db2.gz NAZMSMZXYBLCDH-PZJWPPBQSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941771 1035111127 /nfs/dbraw/zinc/11/11/27/1035111127.db2.gz NAZMSMZXYBLCDH-PZJWPPBQSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941771 1035111129 /nfs/dbraw/zinc/11/11/29/1035111129.db2.gz NAZMSMZXYBLCDH-PZJWPPBQSA-N 2 1 387.568 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941942 1035111268 /nfs/dbraw/zinc/11/12/68/1035111268.db2.gz NQQFVISVJYIEPX-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941942 1035111273 /nfs/dbraw/zinc/11/12/73/1035111273.db2.gz NQQFVISVJYIEPX-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941942 1035111277 /nfs/dbraw/zinc/11/12/77/1035111277.db2.gz NQQFVISVJYIEPX-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947106 1035117232 /nfs/dbraw/zinc/11/72/32/1035117232.db2.gz YZWBFBZMHAETHG-FCHUYYIVSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947106 1035117233 /nfs/dbraw/zinc/11/72/33/1035117233.db2.gz YZWBFBZMHAETHG-FCHUYYIVSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947106 1035117237 /nfs/dbraw/zinc/11/72/37/1035117237.db2.gz YZWBFBZMHAETHG-FCHUYYIVSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947106 1035117241 /nfs/dbraw/zinc/11/72/41/1035117241.db2.gz YZWBFBZMHAETHG-FCHUYYIVSA-N 2 1 395.547 3.846 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001232144970 1035121974 /nfs/dbraw/zinc/12/19/74/1035121974.db2.gz QASSLCGATDNZCJ-JOCHJYFZSA-N 2 1 391.531 3.863 20 0 GHADMP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953515 1035125883 /nfs/dbraw/zinc/12/58/83/1035125883.db2.gz QMWOOOGCXPFWDT-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953515 1035125888 /nfs/dbraw/zinc/12/58/88/1035125888.db2.gz QMWOOOGCXPFWDT-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953515 1035125894 /nfs/dbraw/zinc/12/58/94/1035125894.db2.gz QMWOOOGCXPFWDT-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953515 1035125901 /nfs/dbraw/zinc/12/59/01/1035125901.db2.gz QMWOOOGCXPFWDT-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001232148347 1035126615 /nfs/dbraw/zinc/12/66/15/1035126615.db2.gz BQTIHOVCPSMVEH-NRFANRHFSA-N 2 1 379.520 3.624 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208957555 1035130431 /nfs/dbraw/zinc/13/04/31/1035130431.db2.gz LPJGEUZRIGVOAN-RBBKRZOGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208957555 1035130438 /nfs/dbraw/zinc/13/04/38/1035130438.db2.gz LPJGEUZRIGVOAN-RBBKRZOGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208957555 1035130447 /nfs/dbraw/zinc/13/04/47/1035130447.db2.gz LPJGEUZRIGVOAN-RBBKRZOGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208957555 1035130452 /nfs/dbraw/zinc/13/04/52/1035130452.db2.gz LPJGEUZRIGVOAN-RBBKRZOGSA-N 2 1 399.579 3.982 20 0 GHADMP CO[C@@H](C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001208960304 1035131664 /nfs/dbraw/zinc/13/16/64/1035131664.db2.gz VRLFRNPDLLGTMA-NOZRDPDXSA-N 2 1 393.575 3.514 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC001161104146 1035143788 /nfs/dbraw/zinc/14/37/88/1035143788.db2.gz LYTVTJDIZMRBAC-UHFFFAOYSA-N 2 1 385.943 3.802 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001209002374 1035144914 /nfs/dbraw/zinc/14/49/14/1035144914.db2.gz CMFDEYCGLKSYSV-XUTJKUGGSA-N 2 1 384.564 3.879 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001209002374 1035144919 /nfs/dbraw/zinc/14/49/19/1035144919.db2.gz CMFDEYCGLKSYSV-XUTJKUGGSA-N 2 1 384.564 3.879 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC(Nc2cc(N3CCCC3)cc[nH+]2)CC1 ZINC001161152814 1035162236 /nfs/dbraw/zinc/16/22/36/1035162236.db2.gz ILLICOPNFWTHOH-UHFFFAOYSA-N 2 1 384.499 3.906 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCC5(CC4)OCCO5)CC[C@@H]3C2)cc1 ZINC001209104663 1035174844 /nfs/dbraw/zinc/17/48/44/1035174844.db2.gz DWMDDUYUKCLPDL-PKTZIBPZSA-N 2 1 384.564 3.764 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@@H]3C2)cc1 ZINC001209104663 1035174849 /nfs/dbraw/zinc/17/48/49/1035174849.db2.gz DWMDDUYUKCLPDL-PKTZIBPZSA-N 2 1 384.564 3.764 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@@H]3C2)cc1 ZINC001209104663 1035174854 /nfs/dbraw/zinc/17/48/54/1035174854.db2.gz DWMDDUYUKCLPDL-PKTZIBPZSA-N 2 1 384.564 3.764 20 0 GHADMP COCCn1ccc2c1nc[nH+]c2NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC001161194970 1035175607 /nfs/dbraw/zinc/17/56/07/1035175607.db2.gz WSCQOVNXDDTNPR-UHFFFAOYSA-N 2 1 397.498 3.541 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCc1ccc(F)c(F)c1)CC2 ZINC001209242239 1035217122 /nfs/dbraw/zinc/21/71/22/1035217122.db2.gz UIKPHESJRPZMCE-SFHVURJKSA-N 2 1 390.474 3.856 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209310248 1035237498 /nfs/dbraw/zinc/23/74/98/1035237498.db2.gz DFKPXRXOYFSAIU-KDURUIRLSA-N 2 1 379.589 3.830 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209310248 1035237503 /nfs/dbraw/zinc/23/75/03/1035237503.db2.gz DFKPXRXOYFSAIU-KDURUIRLSA-N 2 1 379.589 3.830 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209310248 1035237509 /nfs/dbraw/zinc/23/75/09/1035237509.db2.gz DFKPXRXOYFSAIU-KDURUIRLSA-N 2 1 379.589 3.830 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209310248 1035237512 /nfs/dbraw/zinc/23/75/12/1035237512.db2.gz DFKPXRXOYFSAIU-KDURUIRLSA-N 2 1 379.589 3.830 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCCNC(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209364352 1035255146 /nfs/dbraw/zinc/25/51/46/1035255146.db2.gz WNNNYZQNYAMIQK-OYRHEFFESA-N 2 1 387.568 3.664 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCCNC(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209364352 1035255149 /nfs/dbraw/zinc/25/51/49/1035255149.db2.gz WNNNYZQNYAMIQK-OYRHEFFESA-N 2 1 387.568 3.664 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCCCNC(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001209364352 1035255153 /nfs/dbraw/zinc/25/51/53/1035255153.db2.gz WNNNYZQNYAMIQK-OYRHEFFESA-N 2 1 387.568 3.664 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209450894 1035277177 /nfs/dbraw/zinc/27/71/77/1035277177.db2.gz VEMLVDZFSZRZAG-JOCHJYFZSA-N 2 1 379.589 3.976 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209645448 1035341453 /nfs/dbraw/zinc/34/14/53/1035341453.db2.gz FUUMWTJXIGYTGV-UHFFFAOYSA-N 2 1 396.560 3.571 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC001461992628 1069933239 /nfs/dbraw/zinc/93/32/39/1069933239.db2.gz UJDFBBHNBHVMDF-XUVXKRRUSA-N 2 1 384.545 3.925 20 0 GHADMP Cc1cc(Br)c(F)cc1-c1noc([C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001248194181 1035622610 /nfs/dbraw/zinc/62/26/10/1035622610.db2.gz HAIIUAJEGFPRAM-AWEZNQCLSA-N 2 1 385.281 3.678 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001241818737 1035711194 /nfs/dbraw/zinc/71/11/94/1035711194.db2.gz ZHMVAFPLLZIELA-DNQXCXABSA-N 2 1 380.532 3.972 20 0 GHADMP C[NH+]1CCC(c2ccc(-c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC001243658905 1036241782 /nfs/dbraw/zinc/24/17/82/1036241782.db2.gz XZUBFXFZQMJVBA-UHFFFAOYSA-N 2 1 377.532 3.550 20 0 GHADMP C[C@](O)(C[NH2+]C1(c2ccc(Br)cc2)CC[NH2+]CC1)c1ccccc1 ZINC001245982482 1037108189 /nfs/dbraw/zinc/10/81/89/1037108189.db2.gz PKLGPXODQUGQIC-IBGZPJMESA-N 2 1 389.337 3.525 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246028632 1037146447 /nfs/dbraw/zinc/14/64/47/1037146447.db2.gz CKRIABUQTNXJPP-SFHVURJKSA-N 2 1 393.531 3.669 20 0 GHADMP COc1ccc(C[N@H+](Cc2cccc3ccccc32)C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001246048204 1037159837 /nfs/dbraw/zinc/15/98/37/1037159837.db2.gz YJKVJCWUJRSLAJ-XMMPIXPASA-N 2 1 376.500 3.575 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc3ccccc32)C[C@@]2(O)CC[NH2+]C2)cc1 ZINC001246048204 1037159854 /nfs/dbraw/zinc/15/98/54/1037159854.db2.gz YJKVJCWUJRSLAJ-XMMPIXPASA-N 2 1 376.500 3.575 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CC[NH2+]C1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001246058246 1037170965 /nfs/dbraw/zinc/17/09/65/1037170965.db2.gz DBNDHZBLDCJXPB-CDIGIKMISA-N 2 1 380.532 3.522 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CCC[NH2+]C1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001246058762 1037173551 /nfs/dbraw/zinc/17/35/51/1037173551.db2.gz GLBXELXYUUEJJI-HVHOJJEHSA-N 2 1 394.559 3.912 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C2CCCCC2)CC1 ZINC001246068049 1037183434 /nfs/dbraw/zinc/18/34/34/1037183434.db2.gz GREMIOMJKNEPEJ-MISYRCLQSA-N 2 1 380.960 3.984 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@H](O)COc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246069884 1037185282 /nfs/dbraw/zinc/18/52/82/1037185282.db2.gz YVPXINDLYCEFKK-FKBYEOEOSA-N 2 1 386.511 3.646 20 0 GHADMP CC(C)COCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123200 1037202598 /nfs/dbraw/zinc/20/25/98/1037202598.db2.gz UFUDQJYOPUGOHX-GMAHTHKFSA-N 3 1 387.612 3.529 20 0 GHADMP Ic1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246196956 1037233595 /nfs/dbraw/zinc/23/35/95/1037233595.db2.gz IWGCSJHLDMKRMJ-ZWKOTPCHSA-N 2 1 392.284 3.874 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC001246252280 1037255340 /nfs/dbraw/zinc/25/53/40/1037255340.db2.gz AKEWFUYEVDZNCZ-IRLDBZIGSA-N 2 1 382.504 3.602 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246280619 1037273251 /nfs/dbraw/zinc/27/32/51/1037273251.db2.gz QVCNDMNRMSMEEL-ZJOUEHCJSA-N 2 1 376.903 3.774 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[NH2+]1 ZINC001246278215 1037273741 /nfs/dbraw/zinc/27/37/41/1037273741.db2.gz LGBWLHWWFQZKCR-IFMALSPDSA-N 2 1 395.522 3.886 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246280822 1037273984 /nfs/dbraw/zinc/27/39/84/1037273984.db2.gz LKXRILBZDHVCDR-RFBJODPTSA-N 2 1 384.605 3.856 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246318659 1037292850 /nfs/dbraw/zinc/29/28/50/1037292850.db2.gz KSHUXDQRMCAMKI-HSZRJFAPSA-N 2 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@H](NCc2ccccc2N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246318659 1037292858 /nfs/dbraw/zinc/29/28/58/1037292858.db2.gz KSHUXDQRMCAMKI-HSZRJFAPSA-N 2 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@H](NCc2ccccc2N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246318659 1037292874 /nfs/dbraw/zinc/29/28/74/1037292874.db2.gz KSHUXDQRMCAMKI-HSZRJFAPSA-N 2 1 392.591 3.629 20 0 GHADMP C[C@H](C[NH3+])CN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322140 1037293967 /nfs/dbraw/zinc/29/39/67/1037293967.db2.gz FRJQHYMKIAPGBQ-HKTJVKLFSA-N 2 1 377.576 3.936 20 0 GHADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322140 1037293981 /nfs/dbraw/zinc/29/39/81/1037293981.db2.gz FRJQHYMKIAPGBQ-HKTJVKLFSA-N 3 1 377.576 3.936 20 0 GHADMP C[C@H](C[NH3+])C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322140 1037294006 /nfs/dbraw/zinc/29/40/06/1037294006.db2.gz FRJQHYMKIAPGBQ-HKTJVKLFSA-N 3 1 377.576 3.936 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCN1 ZINC001246331112 1037297901 /nfs/dbraw/zinc/29/79/01/1037297901.db2.gz HRUZXRIKVNIYDT-RBBKRZOGSA-N 2 1 385.527 3.657 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)CC[NH2+]1 ZINC001246369040 1037326535 /nfs/dbraw/zinc/32/65/35/1037326535.db2.gz BBMGPHYPLOSNHE-FGTMMUONSA-N 2 1 397.357 3.954 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H](c3ccccc3)C2)cc1 ZINC001246368381 1037326836 /nfs/dbraw/zinc/32/68/36/1037326836.db2.gz BWIOLPMVFUYSJW-RGDDHOSMSA-N 2 1 375.560 3.917 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)c1 ZINC001246372053 1037329425 /nfs/dbraw/zinc/32/94/25/1037329425.db2.gz BUOGXMYREMMQMC-RBBKRZOGSA-N 2 1 384.495 3.823 20 0 GHADMP COc1ccc(CC2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC[NH2+]CC2)cc1 ZINC001246388776 1037347716 /nfs/dbraw/zinc/34/77/16/1037347716.db2.gz OEDPOOFJKSJBKF-OAQYLSRUSA-N 3 1 385.596 3.604 20 0 GHADMP COc1ccc(CC2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]CC2)cc1 ZINC001246388776 1037347739 /nfs/dbraw/zinc/34/77/39/1037347739.db2.gz OEDPOOFJKSJBKF-OAQYLSRUSA-N 3 1 385.596 3.604 20 0 GHADMP CCCN1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246419988 1037376257 /nfs/dbraw/zinc/37/62/57/1037376257.db2.gz VLPFDUOWICVJEY-UHFFFAOYSA-N 2 1 383.502 3.791 20 0 GHADMP FC(F)(F)c1ccccc1C1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246452268 1037412347 /nfs/dbraw/zinc/41/23/47/1037412347.db2.gz RAPPXPBBUZNFKT-MRXNPFEDSA-N 2 1 381.486 3.796 20 0 GHADMP FC(F)(F)c1ccccc1C1(N[C@@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001246452268 1037412358 /nfs/dbraw/zinc/41/23/58/1037412358.db2.gz RAPPXPBBUZNFKT-MRXNPFEDSA-N 2 1 381.486 3.796 20 0 GHADMP CC[C@@H]1CC([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)C[C@@H](CC)[NH2+]1 ZINC001246496122 1037441451 /nfs/dbraw/zinc/44/14/51/1037441451.db2.gz CRVNXTIMYCXZAP-NUJGCVRESA-N 2 1 397.357 3.952 20 0 GHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC[C@@H]1C[NH3+] ZINC001246562026 1037480046 /nfs/dbraw/zinc/48/00/46/1037480046.db2.gz VMCMCGVQDUWWBU-ZADIZFFCSA-N 2 1 383.580 3.624 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC[NH2+]1 ZINC001246588279 1037489517 /nfs/dbraw/zinc/48/95/17/1037489517.db2.gz LAIQBUOULQUGHY-GGAORHGYSA-N 3 1 381.539 3.920 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246590765 1037492308 /nfs/dbraw/zinc/49/23/08/1037492308.db2.gz IAQXGQGQWSLCDR-CDNNERCOSA-N 2 1 383.580 3.768 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)C2 ZINC001246618670 1037509471 /nfs/dbraw/zinc/50/94/71/1037509471.db2.gz ITMORKYDCPDBDZ-PMACEKPBSA-N 2 1 383.333 3.605 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)C2 ZINC001246618670 1037509485 /nfs/dbraw/zinc/50/94/85/1037509485.db2.gz ITMORKYDCPDBDZ-PMACEKPBSA-N 2 1 383.333 3.605 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246624302 1037513570 /nfs/dbraw/zinc/51/35/70/1037513570.db2.gz OYRFSDAUAXPTCP-ZRBLBEILSA-N 3 1 399.623 3.957 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246624302 1037513580 /nfs/dbraw/zinc/51/35/80/1037513580.db2.gz OYRFSDAUAXPTCP-ZRBLBEILSA-N 3 1 399.623 3.957 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@@H+]([C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001246638597 1037523204 /nfs/dbraw/zinc/52/32/04/1037523204.db2.gz MROGZTHRZIJBJZ-IRXDYDNUSA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@H+]([C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001246638597 1037523217 /nfs/dbraw/zinc/52/32/17/1037523217.db2.gz MROGZTHRZIJBJZ-IRXDYDNUSA-N 2 1 385.296 3.627 20 0 GHADMP C[C@@H]1C[C@H](N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC001246637137 1037523892 /nfs/dbraw/zinc/52/38/92/1037523892.db2.gz OQUJWCOBTMALDF-NEWSRXKRSA-N 2 1 381.486 3.798 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCCC[C@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246655287 1037529435 /nfs/dbraw/zinc/52/94/35/1037529435.db2.gz YVYWCZOGWSYCLW-LYGMZBLVSA-N 2 1 395.591 3.926 20 0 GHADMP CC[C@H]1CC[C@H](C2CCC([N@@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)CC2)CC1 ZINC001246670063 1037537979 /nfs/dbraw/zinc/53/79/79/1037537979.db2.gz VUXCOHKGKSEKJD-QWKGLCRKSA-N 2 1 378.601 3.843 20 0 GHADMP CC[C@H]1CC[C@H](C2CCC([N@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)CC2)CC1 ZINC001246670063 1037537996 /nfs/dbraw/zinc/53/79/96/1037537996.db2.gz VUXCOHKGKSEKJD-QWKGLCRKSA-N 2 1 378.601 3.843 20 0 GHADMP c1ccc(CN2CCC([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673437 1037539279 /nfs/dbraw/zinc/53/92/79/1037539279.db2.gz OGOFBMZDAAJJJN-AZGAKELHSA-N 2 1 389.587 3.904 20 0 GHADMP c1ccc(CN2CCC([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673437 1037539295 /nfs/dbraw/zinc/53/92/95/1037539295.db2.gz OGOFBMZDAAJJJN-AZGAKELHSA-N 2 1 389.587 3.904 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246702884 1037555939 /nfs/dbraw/zinc/55/59/39/1037555939.db2.gz UHTQWNUYMYODML-QZTJIDSGSA-N 2 1 380.374 3.738 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@H](CC)[NH2+]1 ZINC001246705820 1037559081 /nfs/dbraw/zinc/55/90/81/1037559081.db2.gz BCNHWSQZVACSEE-VQQMMKBISA-N 2 1 389.609 3.985 20 0 GHADMP Clc1ccc2c(c1)CC[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCC4)c3C1)C2 ZINC001246734571 1037581223 /nfs/dbraw/zinc/58/12/23/1037581223.db2.gz UERBKPHNQDYMCX-FQEVSTJZSA-N 2 1 384.955 3.942 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246739897 1037583744 /nfs/dbraw/zinc/58/37/44/1037583744.db2.gz OTAJWHQQALCOJY-VABKMULXSA-N 2 1 399.623 3.909 20 0 GHADMP CC[C@H]1CC([N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C[C@H](CC)[NH2+]1 ZINC001246745117 1037586076 /nfs/dbraw/zinc/58/60/76/1037586076.db2.gz MERDKSDSMOXJSC-YZVAWVHESA-N 2 1 391.531 3.532 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+][C@H](C(C)(C)C)C4)C3)CC2=O)s1 ZINC001246753156 1037593144 /nfs/dbraw/zinc/59/31/44/1037593144.db2.gz BKRDCOFZMWEUBN-XGHQBKJUSA-N 2 1 375.582 3.652 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763796 1037606602 /nfs/dbraw/zinc/60/66/02/1037606602.db2.gz DXSLJVGTQTZSMI-IFPLKCGESA-N 3 1 384.612 3.781 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763796 1037606616 /nfs/dbraw/zinc/60/66/16/1037606616.db2.gz DXSLJVGTQTZSMI-IFPLKCGESA-N 3 1 384.612 3.781 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763796 1037606629 /nfs/dbraw/zinc/60/66/29/1037606629.db2.gz DXSLJVGTQTZSMI-IFPLKCGESA-N 3 1 384.612 3.781 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763796 1037606645 /nfs/dbraw/zinc/60/66/45/1037606645.db2.gz DXSLJVGTQTZSMI-IFPLKCGESA-N 3 1 384.612 3.781 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763796 1037606675 /nfs/dbraw/zinc/60/66/75/1037606675.db2.gz DXSLJVGTQTZSMI-IFPLKCGESA-N 3 1 384.612 3.781 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770501 1037612238 /nfs/dbraw/zinc/61/22/38/1037612238.db2.gz ZBSMKVVIMGIQMO-ICEPHTHUSA-N 2 1 396.623 3.926 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770501 1037612246 /nfs/dbraw/zinc/61/22/46/1037612246.db2.gz ZBSMKVVIMGIQMO-ICEPHTHUSA-N 3 1 396.623 3.926 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770501 1037612260 /nfs/dbraw/zinc/61/22/60/1037612260.db2.gz ZBSMKVVIMGIQMO-ICEPHTHUSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770501 1037612273 /nfs/dbraw/zinc/61/22/73/1037612273.db2.gz ZBSMKVVIMGIQMO-ICEPHTHUSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770501 1037612284 /nfs/dbraw/zinc/61/22/84/1037612284.db2.gz ZBSMKVVIMGIQMO-ICEPHTHUSA-N 3 1 396.623 3.926 20 0 GHADMP Brc1cccc([C@H]2CN([C@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]2)c1 ZINC001246806986 1037639403 /nfs/dbraw/zinc/63/94/03/1037639403.db2.gz PSBWXROGIZZWAK-VQTJNVASSA-N 2 1 392.385 3.802 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246812661 1037644754 /nfs/dbraw/zinc/64/47/54/1037644754.db2.gz VPGYHHGSXPCFEF-ZHRMCQFGSA-N 2 1 381.564 3.553 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830524 1037661192 /nfs/dbraw/zinc/66/11/92/1037661192.db2.gz VKJSSFIPCZVEGA-ZNZIZOMTSA-N 2 1 389.587 3.948 20 0 GHADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246841123 1037668639 /nfs/dbraw/zinc/66/86/39/1037668639.db2.gz TTWOLXVSRUGDMA-WWPVKYPJSA-N 2 1 382.548 3.895 20 0 GHADMP COC(=O)C1C[C@@H]2CC([N@@H+](C)Cc3cccc(Oc4ccccc4)c3)C[C@H](C1)[NH2+]2 ZINC001246904537 1037716465 /nfs/dbraw/zinc/71/64/65/1037716465.db2.gz GPRGMZKZTUMCRQ-JWEZTNTCSA-N 2 1 394.515 3.983 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)CC[NH2+]2)cc1 ZINC001246910271 1037717077 /nfs/dbraw/zinc/71/70/77/1037717077.db2.gz KLULTRZVEOXQBC-NGSHPTGOSA-N 2 1 375.560 3.556 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954571 1037763073 /nfs/dbraw/zinc/76/30/73/1037763073.db2.gz IGGSJABCCUMYDQ-DLBZAZTESA-N 2 1 380.479 3.641 20 0 GHADMP CCCCOC(=O)CC[C@@H](C)[N@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001246961271 1037782553 /nfs/dbraw/zinc/78/25/53/1037782553.db2.gz PPVMPPSMBNTSNG-QGZVFWFLSA-N 2 1 394.531 3.900 20 0 GHADMP CCCCOC(=O)CC[C@@H](C)[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001246961271 1037782570 /nfs/dbraw/zinc/78/25/70/1037782570.db2.gz PPVMPPSMBNTSNG-QGZVFWFLSA-N 2 1 394.531 3.900 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246961969 1037783692 /nfs/dbraw/zinc/78/36/92/1037783692.db2.gz RVQMSUJOVJIGEY-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246966896 1037789043 /nfs/dbraw/zinc/78/90/43/1037789043.db2.gz LIYCLGIWIZAFGT-UXHICEINSA-N 2 1 382.552 3.953 20 0 GHADMP CN([C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001246969508 1037791789 /nfs/dbraw/zinc/79/17/89/1037791789.db2.gz PWDPERLEGMRKIQ-GVAUOCQISA-N 2 1 377.576 3.946 20 0 GHADMP FC(F)(F)c1cc(O[C@@H]2CCC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)ncn1 ZINC001246968171 1037792739 /nfs/dbraw/zinc/79/27/39/1037792739.db2.gz HBFDMVDYVIYXHS-MRXNPFEDSA-N 2 1 398.473 3.651 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2C[NH2+]CCN2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001246974635 1037797752 /nfs/dbraw/zinc/79/77/52/1037797752.db2.gz LDILFEJNVXVTTH-RTWAWAEBSA-N 2 1 389.465 3.926 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246974489 1037797884 /nfs/dbraw/zinc/79/78/84/1037797884.db2.gz BAKCZIIQQWEZRN-IRLDBZIGSA-N 3 1 382.527 3.889 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246977897 1037802235 /nfs/dbraw/zinc/80/22/35/1037802235.db2.gz GGPKHNGAYCHNJY-AEFFLSMTSA-N 2 1 385.474 3.874 20 0 GHADMP CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246979185 1037803335 /nfs/dbraw/zinc/80/33/35/1037803335.db2.gz XGPXESBCRSTLEX-NSQNTRMNSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)Nc1nc(CN2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cs1 ZINC001232284920 1038017721 /nfs/dbraw/zinc/01/77/21/1038017721.db2.gz TZWWZUDQVYBDQV-GOSISDBHSA-N 2 1 388.537 3.571 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354072 1038133627 /nfs/dbraw/zinc/13/36/27/1038133627.db2.gz DLBWPBBLNQBWPK-VLCRHTCISA-N 2 1 380.536 3.526 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354072 1038133637 /nfs/dbraw/zinc/13/36/37/1038133637.db2.gz DLBWPBBLNQBWPK-VLCRHTCISA-N 2 1 380.536 3.526 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354069 1038133877 /nfs/dbraw/zinc/13/38/77/1038133877.db2.gz DLBWPBBLNQBWPK-BWAGFHJFSA-N 2 1 380.536 3.526 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001232354069 1038133883 /nfs/dbraw/zinc/13/38/83/1038133883.db2.gz DLBWPBBLNQBWPK-BWAGFHJFSA-N 2 1 380.536 3.526 20 0 GHADMP COc1cncc(OC)c1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001232507317 1038277939 /nfs/dbraw/zinc/27/79/39/1038277939.db2.gz QOHSAAUJWYTQSZ-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)c(Br)c2)no1 ZINC001247693126 1038332380 /nfs/dbraw/zinc/33/23/80/1038332380.db2.gz LEVRRYZVZXHWOY-NSHDSACASA-N 2 1 393.207 3.647 20 0 GHADMP CCOc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)c1 ZINC001232582013 1038352357 /nfs/dbraw/zinc/35/23/57/1038352357.db2.gz WSFXFYUAEWHBMG-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP COc1cccc(C)c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001232620952 1038408210 /nfs/dbraw/zinc/40/82/10/1038408210.db2.gz RYLZXWCAUFIEFQ-DHLKQENFSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cccc(C)c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001232620952 1038408214 /nfs/dbraw/zinc/40/82/14/1038408214.db2.gz RYLZXWCAUFIEFQ-DHLKQENFSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cccc(C)c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232620952 1038408219 /nfs/dbraw/zinc/40/82/19/1038408219.db2.gz RYLZXWCAUFIEFQ-DHLKQENFSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cccc(C)c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232620952 1038408223 /nfs/dbraw/zinc/40/82/23/1038408223.db2.gz RYLZXWCAUFIEFQ-DHLKQENFSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cccc(C)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001232621137 1038408424 /nfs/dbraw/zinc/40/84/24/1038408424.db2.gz TULJIYICUQHBPH-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP CSc1cc(F)c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1F ZINC001247905099 1038476542 /nfs/dbraw/zinc/47/65/42/1038476542.db2.gz KIAOVQDYFVGWPI-GFCCVEGCSA-N 2 1 394.491 3.668 20 0 GHADMP Fc1ccc(C(F)(F)F)cc1-c1noc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247905711 1038478270 /nfs/dbraw/zinc/47/82/70/1038478270.db2.gz KVAGZADZOIMAIO-LBPRGKRZSA-N 2 1 398.404 3.826 20 0 GHADMP Fc1cc(C(F)(F)F)ccc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247906708 1038480799 /nfs/dbraw/zinc/48/07/99/1038480799.db2.gz DOFDVQSNHNVWEO-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP CCCn1cnc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232796282 1038562635 /nfs/dbraw/zinc/56/26/35/1038562635.db2.gz CRGHECPRFRDFEA-QFIPXVFZSA-N 2 1 382.552 3.549 20 0 GHADMP Cc1ncc(F)cc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001232988503 1038752364 /nfs/dbraw/zinc/75/23/64/1038752364.db2.gz PAQHYQSKELZXAI-LJQANCHMSA-N 2 1 389.540 3.846 20 0 GHADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2ccsc2I)CC1 ZINC001233149876 1038926878 /nfs/dbraw/zinc/92/68/78/1038926878.db2.gz KYWUBGSNDDCHQQ-UHFFFAOYSA-N 2 1 392.350 3.905 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccsc2I)CC1 ZINC001233149876 1038926888 /nfs/dbraw/zinc/92/68/88/1038926888.db2.gz KYWUBGSNDDCHQQ-UHFFFAOYSA-N 2 1 392.350 3.905 20 0 GHADMP Cc1cccc(-c2ccc(C[NH+]3CCC([NH+]4CCC(C(N)=O)CC4)CC3)cc2)c1 ZINC001233224406 1038984472 /nfs/dbraw/zinc/98/44/72/1038984472.db2.gz BZIXINAZPVGELZ-UHFFFAOYSA-N 2 1 391.559 3.824 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[nH+]1 ZINC001252409414 1038988067 /nfs/dbraw/zinc/98/80/67/1038988067.db2.gz FHWNVAIEMWMBBF-NRFANRHFSA-N 2 1 387.487 3.667 20 0 GHADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001278669228 1039004701 /nfs/dbraw/zinc/00/47/01/1039004701.db2.gz MWJYZMIZXCMMRU-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001278669228 1039004719 /nfs/dbraw/zinc/00/47/19/1039004719.db2.gz MWJYZMIZXCMMRU-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233315074 1039107138 /nfs/dbraw/zinc/10/71/38/1039107138.db2.gz XMZJDOMYYCSGIC-SFHVURJKSA-N 2 1 389.927 3.831 20 0 GHADMP COc1cc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001233342939 1039152861 /nfs/dbraw/zinc/15/28/61/1039152861.db2.gz UBAZUXXZEHIPGK-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP COc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001233342939 1039152881 /nfs/dbraw/zinc/15/28/81/1039152881.db2.gz UBAZUXXZEHIPGK-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP CSc1cccc(Cl)c1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001233351229 1039164891 /nfs/dbraw/zinc/16/48/91/1039164891.db2.gz KCFCWARXZHQCAN-UHFFFAOYSA-N 2 1 390.984 3.913 20 0 GHADMP CSc1cccc(Cl)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001233351229 1039164898 /nfs/dbraw/zinc/16/48/98/1039164898.db2.gz KCFCWARXZHQCAN-UHFFFAOYSA-N 2 1 390.984 3.913 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H](O)c4ccc(F)cc4)CC3)C2)cc1 ZINC001252845864 1039205537 /nfs/dbraw/zinc/20/55/37/1039205537.db2.gz UWULKAPBELWGSH-HSZRJFAPSA-N 2 1 398.522 3.535 20 0 GHADMP O[C@@]1(C[NH2+]CCSc2ccc(Cl)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252944028 1039288371 /nfs/dbraw/zinc/28/83/71/1039288371.db2.gz SLZVPUSNDBLPCG-HXUWFJFHSA-N 2 1 376.953 3.659 20 0 GHADMP O[C@@]1(C[NH2+]CCSc2ccc(Cl)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944028 1039288381 /nfs/dbraw/zinc/28/83/81/1039288381.db2.gz SLZVPUSNDBLPCG-HXUWFJFHSA-N 2 1 376.953 3.659 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951995 1039296036 /nfs/dbraw/zinc/29/60/36/1039296036.db2.gz YBOPBWKTNAZAFK-GVAUOCQISA-N 2 1 394.559 3.741 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951995 1039296043 /nfs/dbraw/zinc/29/60/43/1039296043.db2.gz YBOPBWKTNAZAFK-GVAUOCQISA-N 2 1 394.559 3.741 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)s1 ZINC001278720046 1039617466 /nfs/dbraw/zinc/61/74/66/1039617466.db2.gz ALHGRKBJLVTNSE-UHFFFAOYSA-N 2 1 377.476 3.782 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001254003797 1039945824 /nfs/dbraw/zinc/94/58/24/1039945824.db2.gz SEZUYLMIMWVIPD-HBMCJLEFSA-N 2 1 390.568 3.552 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001254003797 1039945827 /nfs/dbraw/zinc/94/58/27/1039945827.db2.gz SEZUYLMIMWVIPD-HBMCJLEFSA-N 2 1 390.568 3.552 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001254003797 1039945829 /nfs/dbraw/zinc/94/58/29/1039945829.db2.gz SEZUYLMIMWVIPD-HBMCJLEFSA-N 2 1 390.568 3.552 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](C1CCC(F)(F)CC1)CC2 ZINC001254219229 1040074044 /nfs/dbraw/zinc/07/40/44/1040074044.db2.gz DMLURKPDGXRKFU-LJQANCHMSA-N 2 1 379.495 3.715 20 0 GHADMP CCC[C@@H](CCc1ccccc1)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001254493368 1040279177 /nfs/dbraw/zinc/27/91/77/1040279177.db2.gz LBWJARUQSVGZRT-FCHUYYIVSA-N 2 1 396.579 3.939 20 0 GHADMP CC(C)CN1Cc2ccccc2CC2(CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)C1=O ZINC001254521328 1040296345 /nfs/dbraw/zinc/29/63/45/1040296345.db2.gz IZBSDOZFKSURJA-HSZRJFAPSA-N 2 1 397.607 3.794 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001234838559 1040359295 /nfs/dbraw/zinc/35/92/95/1040359295.db2.gz VNZRWDVNSOAIRU-AATRIKPKSA-N 2 1 380.479 3.703 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(F)c1 ZINC001234838559 1040359311 /nfs/dbraw/zinc/35/93/11/1040359311.db2.gz VNZRWDVNSOAIRU-AATRIKPKSA-N 2 1 380.479 3.703 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC001235017404 1040503895 /nfs/dbraw/zinc/50/38/95/1040503895.db2.gz CBYPVMWPCZLWDT-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC001235017404 1040503920 /nfs/dbraw/zinc/50/39/20/1040503920.db2.gz CBYPVMWPCZLWDT-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c2c(OC)cccc12 ZINC001235086283 1040574409 /nfs/dbraw/zinc/57/44/09/1040574409.db2.gz AWTCODLVLSDWOT-HXUWFJFHSA-N 2 1 376.447 3.678 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC3CC[NH+](CC3)C2)c2ccccc12 ZINC001254842800 1040587605 /nfs/dbraw/zinc/58/76/05/1040587605.db2.gz GTXBYWAXWLIUBI-QUCCMNQESA-N 2 1 383.536 3.510 20 0 GHADMP c1[nH+]c(C2CCCCC2)n2c1C[C@@H](c1nc([C@@H]3C[NH+]4CCC3CC4)no1)CC2 ZINC001254851112 1040594715 /nfs/dbraw/zinc/59/47/15/1040594715.db2.gz RNYQXDULGFABJE-PKOBYXMFSA-N 2 1 381.524 3.853 20 0 GHADMP Brc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c2nsnc21 ZINC001235152779 1040644799 /nfs/dbraw/zinc/64/47/99/1040644799.db2.gz BASRDHHQPGQRBN-HNNXBMFYSA-N 2 1 395.370 3.808 20 0 GHADMP Brc1cc2[nH]cc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2cn1 ZINC001235156679 1040651228 /nfs/dbraw/zinc/65/12/28/1040651228.db2.gz HRVKJLFNPXMWPC-KRWDZBQOSA-N 2 1 377.330 3.680 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159833 1040653256 /nfs/dbraw/zinc/65/32/56/1040653256.db2.gz PJJDDWGBFRKMNH-QGZVFWFLSA-N 2 1 385.321 3.951 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)cc1O ZINC001235163059 1040655622 /nfs/dbraw/zinc/65/56/22/1040655622.db2.gz ZJZFDZYZUSEZRW-MRXNPFEDSA-N 2 1 383.330 3.517 20 0 GHADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001462481686 1070291011 /nfs/dbraw/zinc/29/10/11/1070291011.db2.gz OYBRPQWTHOZJFB-YZGWKJHDSA-N 2 1 379.589 3.876 20 0 GHADMP COc1ccc(Br)c(OC)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235238251 1040717713 /nfs/dbraw/zinc/71/77/13/1040717713.db2.gz BXPPGILHHPSBTM-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP CN1CC(C[NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255069914 1040762435 /nfs/dbraw/zinc/76/24/35/1040762435.db2.gz QIMIQEIYURCNBU-TWJOJJKGSA-N 2 1 389.587 3.903 20 0 GHADMP C[NH+]1CC(CN[C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255069914 1040762452 /nfs/dbraw/zinc/76/24/52/1040762452.db2.gz QIMIQEIYURCNBU-TWJOJJKGSA-N 2 1 389.587 3.903 20 0 GHADMP C[NH+]1CC(CN[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255069914 1040762466 /nfs/dbraw/zinc/76/24/66/1040762466.db2.gz QIMIQEIYURCNBU-TWJOJJKGSA-N 2 1 389.587 3.903 20 0 GHADMP [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255106284 1040787245 /nfs/dbraw/zinc/78/72/45/1040787245.db2.gz QXGRDUBZHRSXOH-JOCHJYFZSA-N 2 1 383.967 3.950 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001235350340 1040825389 /nfs/dbraw/zinc/82/53/89/1040825389.db2.gz YJNPLNPYFPNYMO-CLJLJLNGSA-N 3 1 389.587 3.978 20 0 GHADMP CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136091 1040836092 /nfs/dbraw/zinc/83/60/92/1040836092.db2.gz MXUNAHKNIALZEY-BJESRGMDSA-N 2 1 385.596 3.519 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255144178 1040853487 /nfs/dbraw/zinc/85/34/87/1040853487.db2.gz MUKJSKFJSOSSSN-FQUZAXHOSA-N 2 1 397.607 3.757 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255144178 1040853493 /nfs/dbraw/zinc/85/34/93/1040853493.db2.gz MUKJSKFJSOSSSN-FQUZAXHOSA-N 2 1 397.607 3.757 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255144178 1040853496 /nfs/dbraw/zinc/85/34/96/1040853496.db2.gz MUKJSKFJSOSSSN-FQUZAXHOSA-N 2 1 397.607 3.757 20 0 GHADMP c1ccc(C[NH+]2CC3(CN([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5Cc4ccccc4)C3)C2)cc1 ZINC001255145895 1040858451 /nfs/dbraw/zinc/85/84/51/1040858451.db2.gz XANYQTGWVGNEDQ-LNWKWYTESA-N 2 1 387.571 4.000 20 0 GHADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)s1 ZINC001235367526 1040862429 /nfs/dbraw/zinc/86/24/29/1040862429.db2.gz TXUUXTTYZITHMI-DENIHFKCSA-N 2 1 384.593 3.743 20 0 GHADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)s1 ZINC001235367526 1040862443 /nfs/dbraw/zinc/86/24/43/1040862443.db2.gz TXUUXTTYZITHMI-DENIHFKCSA-N 2 1 384.593 3.743 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235367369 1040863350 /nfs/dbraw/zinc/86/33/50/1040863350.db2.gz GGEARHDSUHMMRM-VWNXMTODSA-N 2 1 378.516 3.617 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc(-c4cncnc4)cc2)CC3)cc1 ZINC001235375174 1040886374 /nfs/dbraw/zinc/88/63/74/1040886374.db2.gz ZARDHNKHDIHLCY-LOSJGSFVSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc(-c2nc3n(c2C[N@H+]2CCC[C@@H]([C@@H]4CCC[NH2+]C4)C2)CCS3)cc1 ZINC001235421021 1040924270 /nfs/dbraw/zinc/92/42/70/1040924270.db2.gz AMVSQKPBHIURGB-RTBURBONSA-N 2 1 382.577 3.867 20 0 GHADMP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429621 1040931155 /nfs/dbraw/zinc/93/11/55/1040931155.db2.gz BJQDOKGYKIZMLH-CVEARBPZSA-N 2 1 381.358 3.978 20 0 GHADMP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430338 1040931604 /nfs/dbraw/zinc/93/16/04/1040931604.db2.gz WUDMGXORZFIFQP-JKSUJKDBSA-N 2 1 381.358 3.978 20 0 GHADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431205 1040932703 /nfs/dbraw/zinc/93/27/03/1040932703.db2.gz YNOQRMMKHTXZCT-HOTGVXAUSA-N 2 1 380.374 3.727 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3ccc(OC4CCOCC4)nc3)CC2)cc1 ZINC001255385986 1040974435 /nfs/dbraw/zinc/97/44/35/1040974435.db2.gz KKSKBHLLWFFMIM-JOCHJYFZSA-N 2 1 395.547 3.784 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccc(OC4CCOCC4)nc3)CC2)cc1 ZINC001255385986 1040974438 /nfs/dbraw/zinc/97/44/38/1040974438.db2.gz KKSKBHLLWFFMIM-JOCHJYFZSA-N 2 1 395.547 3.784 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3(Cc4ccncc4)CCOCC3)CC2)cc1 ZINC001255388846 1040977177 /nfs/dbraw/zinc/97/71/77/1040977177.db2.gz ABORFFHORBFRIZ-QHCPKHFHSA-N 2 1 379.548 3.818 20 0 GHADMP O=C1CCCCN1c1cc(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001255394221 1040981729 /nfs/dbraw/zinc/98/17/29/1040981729.db2.gz YDTJOKKFLPKRFO-JOCHJYFZSA-N 2 1 392.547 3.743 20 0 GHADMP O=C1CCCCN1c1cc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)ccn1 ZINC001255394221 1040981731 /nfs/dbraw/zinc/98/17/31/1040981731.db2.gz YDTJOKKFLPKRFO-JOCHJYFZSA-N 2 1 392.547 3.743 20 0 GHADMP O=C1CCCCN1c1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001255394221 1040981735 /nfs/dbraw/zinc/98/17/35/1040981735.db2.gz YDTJOKKFLPKRFO-JOCHJYFZSA-N 2 1 392.547 3.743 20 0 GHADMP CC[C@@H]1[N@@H+](CCC[NH2+]C2CCCCC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001235550534 1040983874 /nfs/dbraw/zinc/98/38/74/1040983874.db2.gz NXLCAGNGGIFQGK-GMAHTHKFSA-N 2 1 375.601 3.944 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255399883 1040986479 /nfs/dbraw/zinc/98/64/79/1040986479.db2.gz BJFMHZNKETZYJX-FCEUIQTBSA-N 2 1 375.516 3.709 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255399883 1040986481 /nfs/dbraw/zinc/98/64/81/1040986481.db2.gz BJFMHZNKETZYJX-FCEUIQTBSA-N 2 1 375.516 3.709 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255399883 1040986482 /nfs/dbraw/zinc/98/64/82/1040986482.db2.gz BJFMHZNKETZYJX-FCEUIQTBSA-N 2 1 375.516 3.709 20 0 GHADMP CC(C)(C)OC(=O)N1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255401031 1040987388 /nfs/dbraw/zinc/98/73/88/1040987388.db2.gz QSXZDOWHIMRNEV-OAQYLSRUSA-N 2 1 387.568 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255401031 1040987403 /nfs/dbraw/zinc/98/74/03/1040987403.db2.gz QSXZDOWHIMRNEV-OAQYLSRUSA-N 2 1 387.568 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255401031 1040987409 /nfs/dbraw/zinc/98/74/09/1040987409.db2.gz QSXZDOWHIMRNEV-OAQYLSRUSA-N 2 1 387.568 3.984 20 0 GHADMP Cc1cc(C)nc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255409155 1040996092 /nfs/dbraw/zinc/99/60/92/1040996092.db2.gz GUERCLDBQUFADI-QFIPXVFZSA-N 2 1 393.579 3.707 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255410201 1040999548 /nfs/dbraw/zinc/99/95/48/1040999548.db2.gz RIKDIINQEBCMIV-YADHBBJMSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255410201 1040999557 /nfs/dbraw/zinc/99/95/57/1040999557.db2.gz RIKDIINQEBCMIV-YADHBBJMSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410201 1040999561 /nfs/dbraw/zinc/99/95/61/1040999561.db2.gz RIKDIINQEBCMIV-YADHBBJMSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410201 1040999562 /nfs/dbraw/zinc/99/95/62/1040999562.db2.gz RIKDIINQEBCMIV-YADHBBJMSA-N 2 1 395.547 3.988 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001235633396 1041067109 /nfs/dbraw/zinc/06/71/09/1041067109.db2.gz WRTOKZPSAGSBCA-ANXJSTTESA-N 2 1 376.491 3.674 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001235633396 1041067117 /nfs/dbraw/zinc/06/71/17/1041067117.db2.gz WRTOKZPSAGSBCA-ANXJSTTESA-N 2 1 376.491 3.674 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)CC[C@@H]21 ZINC001235634930 1041069716 /nfs/dbraw/zinc/06/97/16/1041069716.db2.gz BNOHAMIQNSPMHU-SAJDGTNDSA-N 2 1 377.523 3.811 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)CC[C@@H]21 ZINC001235634930 1041069738 /nfs/dbraw/zinc/06/97/38/1041069738.db2.gz BNOHAMIQNSPMHU-SAJDGTNDSA-N 2 1 377.523 3.811 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659866 1041109027 /nfs/dbraw/zinc/10/90/27/1041109027.db2.gz BZVFULGLKIOQBM-FGCOXFRFSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659866 1041109035 /nfs/dbraw/zinc/10/90/35/1041109035.db2.gz BZVFULGLKIOQBM-FGCOXFRFSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659866 1041109042 /nfs/dbraw/zinc/10/90/42/1041109042.db2.gz BZVFULGLKIOQBM-FGCOXFRFSA-N 2 1 384.612 3.926 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001235716055 1041198620 /nfs/dbraw/zinc/19/86/20/1041198620.db2.gz XWSWQJLHXSRMRP-QGZVFWFLSA-N 2 1 384.593 3.625 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)s1 ZINC001235716890 1041198919 /nfs/dbraw/zinc/19/89/19/1041198919.db2.gz LMPKYWRJLGPVMN-UHFFFAOYSA-N 2 1 386.487 3.989 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001255679097 1041213083 /nfs/dbraw/zinc/21/30/83/1041213083.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN(C2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001255679097 1041213088 /nfs/dbraw/zinc/21/30/88/1041213088.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN(C2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001255679097 1041213104 /nfs/dbraw/zinc/21/31/04/1041213104.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 2 1 397.607 3.998 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001255679097 1041213121 /nfs/dbraw/zinc/21/31/21/1041213121.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001255679097 1041213137 /nfs/dbraw/zinc/21/31/37/1041213137.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CC[NH+](C2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001255679097 1041213153 /nfs/dbraw/zinc/21/31/53/1041213153.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 3 1 397.607 3.998 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CC[NH+](C2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001255679097 1041213168 /nfs/dbraw/zinc/21/31/68/1041213168.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 3 1 397.607 3.998 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC001255704956 1041225669 /nfs/dbraw/zinc/22/56/69/1041225669.db2.gz HYNVXFNARZPSAF-WMZOPIPTSA-N 2 1 390.490 3.847 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001255741435 1041260082 /nfs/dbraw/zinc/26/00/82/1041260082.db2.gz FOKWGKKZJZMWEB-KRWDZBQOSA-N 2 1 388.556 3.657 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001255848925 1041344491 /nfs/dbraw/zinc/34/44/91/1041344491.db2.gz OORMQSVDDSKQIZ-FQEVSTJZSA-N 2 1 397.538 3.766 20 0 GHADMP C[N@H+](Cc1cccc(N2CC[NH2+]CC2)c1)Cc1cccc(Br)c1F ZINC001235840294 1041367469 /nfs/dbraw/zinc/36/74/69/1041367469.db2.gz IJBAOIBGKKLNGE-UHFFFAOYSA-N 2 1 392.316 3.630 20 0 GHADMP C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)Cc1cccc(Br)c1F ZINC001235840294 1041367476 /nfs/dbraw/zinc/36/74/76/1041367476.db2.gz IJBAOIBGKKLNGE-UHFFFAOYSA-N 2 1 392.316 3.630 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C1CCCCCC1)CC2 ZINC001255888584 1041377028 /nfs/dbraw/zinc/37/70/28/1041377028.db2.gz ASQFROHPZWZFKX-QFIPXVFZSA-N 2 1 378.601 3.939 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255904055 1041386044 /nfs/dbraw/zinc/38/60/44/1041386044.db2.gz QWQGVCITDOHFLY-UFYCRDLUSA-N 2 1 388.556 3.553 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001235872328 1041407592 /nfs/dbraw/zinc/40/75/92/1041407592.db2.gz RLUUONXDKUODCY-VXKWHMMOSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001235872328 1041407602 /nfs/dbraw/zinc/40/76/02/1041407602.db2.gz RLUUONXDKUODCY-VXKWHMMOSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001235872328 1041407606 /nfs/dbraw/zinc/40/76/06/1041407606.db2.gz RLUUONXDKUODCY-VXKWHMMOSA-N 2 1 393.531 3.602 20 0 GHADMP [NH3+]CCC1C[NH+](Cc2ccc(OCc3ccccc3)cc2OC(F)(F)F)C1 ZINC001235919528 1041429458 /nfs/dbraw/zinc/42/94/58/1041429458.db2.gz YRGGTRXSXCTYOO-UHFFFAOYSA-N 2 1 380.410 3.945 20 0 GHADMP Clc1ccc(Cn2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)c3ccccc32)cn1 ZINC001235935782 1041439487 /nfs/dbraw/zinc/43/94/87/1041439487.db2.gz FCYUWFMUEKRVAD-ZWKOTPCHSA-N 2 1 380.923 3.779 20 0 GHADMP COCCC[N@@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH2+]CC1 ZINC001235936870 1041441069 /nfs/dbraw/zinc/44/10/69/1041441069.db2.gz GLELVFJCODUASC-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP COCCC[N@@H+](Cc1c[nH]c2cc(Br)ccc12)C1CC[NH2+]CC1 ZINC001235937767 1041444123 /nfs/dbraw/zinc/44/41/23/1041444123.db2.gz QJIMCBPJPXTWDR-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC[NH2+]CC1 ZINC001235937677 1041444513 /nfs/dbraw/zinc/44/45/13/1041444513.db2.gz PFLGCYYROAUHDT-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001235973843 1041479765 /nfs/dbraw/zinc/47/97/65/1041479765.db2.gz OXLHOPTYFYOMGG-MLGOLLRUSA-N 2 1 378.294 3.606 20 0 GHADMP Cc1ccccc1C[N@H+](C1CCN(c2ncccn2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256054555 1041497715 /nfs/dbraw/zinc/49/77/15/1041497715.db2.gz XIWWKANONBYVDE-MEMLXQNLSA-N 2 1 379.552 3.526 20 0 GHADMP Cc1ccc(C[N@H+](C2CCN(c3ncccn3)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256054463 1041497883 /nfs/dbraw/zinc/49/78/83/1041497883.db2.gz UZUSIRQNKSASJE-MEMLXQNLSA-N 2 1 379.552 3.526 20 0 GHADMP CCOC(=O)[C@H]1CC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C[C@H]1c1ccccc1 ZINC001236007920 1041498239 /nfs/dbraw/zinc/49/82/39/1041498239.db2.gz GDYUKVXAUMHOJB-PMACEKPBSA-N 2 1 384.545 3.563 20 0 GHADMP FC(F)Oc1ccc(Br)c(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236009696 1041501753 /nfs/dbraw/zinc/50/17/53/1041501753.db2.gz PNIIRNCUBSYAGK-UHFFFAOYSA-N 2 1 375.257 3.626 20 0 GHADMP COc1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)s2)cc1 ZINC001236011016 1041503214 /nfs/dbraw/zinc/50/32/14/1041503214.db2.gz XXLHZLHSWRGNGB-XXBNENTESA-N 2 1 391.540 3.792 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)s2)cc1 ZINC001236011016 1041503224 /nfs/dbraw/zinc/50/32/24/1041503224.db2.gz XXLHZLHSWRGNGB-XXBNENTESA-N 2 1 391.540 3.792 20 0 GHADMP Brc1ccc(CC2([NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)cc1 ZINC001256071597 1041507341 /nfs/dbraw/zinc/50/73/41/1041507341.db2.gz GIGAIUXEUZEVOR-UHFFFAOYSA-N 2 1 393.369 3.757 20 0 GHADMP [NH3+]CC1CN([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079091 1041524690 /nfs/dbraw/zinc/52/46/90/1041524690.db2.gz LIOBOMBVBFAKIR-NRFANRHFSA-N 2 1 399.966 3.774 20 0 GHADMP [NH3+]CC1CN([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079091 1041524694 /nfs/dbraw/zinc/52/46/94/1041524694.db2.gz LIOBOMBVBFAKIR-NRFANRHFSA-N 2 1 399.966 3.774 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001236091906 1041529526 /nfs/dbraw/zinc/52/95/26/1041529526.db2.gz AECXVIYOGNWMEP-DEOSSOPVSA-N 2 1 393.575 3.555 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001236092303 1041530537 /nfs/dbraw/zinc/53/05/37/1041530537.db2.gz IZYWQUAINVRFFX-NRFANRHFSA-N 2 1 379.548 3.560 20 0 GHADMP c1c(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)sc2c1CC[NH2+]C2 ZINC001236092804 1041530723 /nfs/dbraw/zinc/53/07/23/1041530723.db2.gz QKYBIQZULZIIBU-KLJZETAQSA-N 3 1 383.605 3.789 20 0 GHADMP c1c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)sc2c1CC[NH2+]C2 ZINC001236092804 1041530737 /nfs/dbraw/zinc/53/07/37/1041530737.db2.gz QKYBIQZULZIIBU-KLJZETAQSA-N 3 1 383.605 3.789 20 0 GHADMP c1c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)sc2c1CC[NH2+]C2 ZINC001236092804 1041530752 /nfs/dbraw/zinc/53/07/52/1041530752.db2.gz QKYBIQZULZIIBU-KLJZETAQSA-N 3 1 383.605 3.789 20 0 GHADMP c1c(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)sc2c1CC[NH2+]C2 ZINC001236092804 1041530774 /nfs/dbraw/zinc/53/07/74/1041530774.db2.gz QKYBIQZULZIIBU-KLJZETAQSA-N 2 1 383.605 3.789 20 0 GHADMP c1c(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)sc2c1CC[NH2+]C2 ZINC001236092804 1041530787 /nfs/dbraw/zinc/53/07/87/1041530787.db2.gz QKYBIQZULZIIBU-KLJZETAQSA-N 2 1 383.605 3.789 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001236202739 1041617288 /nfs/dbraw/zinc/61/72/88/1041617288.db2.gz SQYWFYZTBYIQSF-QAQDUYKDSA-N 2 1 378.582 3.975 20 0 GHADMP C[N@@H+](Cc1ccc(Br)c(Br)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224667 1041630961 /nfs/dbraw/zinc/63/09/61/1041630961.db2.gz UYGRVQLFPDLBQF-HAQNSBGRSA-N 2 1 376.136 3.913 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224718 1041631100 /nfs/dbraw/zinc/63/11/00/1041631100.db2.gz VPAMCYSAHVZDNF-JOCQHMNTSA-N 2 1 376.136 3.913 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236226088 1041632586 /nfs/dbraw/zinc/63/25/86/1041632586.db2.gz HQPAULBIBNEXAS-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1OC(F)(F)F)C1(C)CC[NH2+]CC1 ZINC001236226088 1041632605 /nfs/dbraw/zinc/63/26/05/1041632605.db2.gz HQPAULBIBNEXAS-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236276036 1041652696 /nfs/dbraw/zinc/65/26/96/1041652696.db2.gz RXMSELUKEPRTIW-OWYHZJEWSA-N 2 1 380.479 3.636 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236276036 1041652700 /nfs/dbraw/zinc/65/27/00/1041652700.db2.gz RXMSELUKEPRTIW-OWYHZJEWSA-N 2 1 380.479 3.636 20 0 GHADMP [NH3+]Cc1cccc(C[N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001236313238 1041667883 /nfs/dbraw/zinc/66/78/83/1041667883.db2.gz YNVRXBDSTFKPSL-RUZDIDTESA-N 2 1 399.538 3.949 20 0 GHADMP O=C1C[C@H]([N@@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc2)CN1Cc1ccccc1 ZINC001236314681 1041668975 /nfs/dbraw/zinc/66/89/75/1041668975.db2.gz NGYVJTWTAANDGP-QPPBQGQZSA-N 2 1 391.559 3.679 20 0 GHADMP Brc1cccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)n1 ZINC001236320632 1041670411 /nfs/dbraw/zinc/67/04/11/1041670411.db2.gz SBDWNPLJEKMRQI-HDICACEKSA-N 2 1 386.337 3.943 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1 ZINC001236384078 1041692293 /nfs/dbraw/zinc/69/22/93/1041692293.db2.gz YNGAOJLUHBZAMP-UHFFFAOYSA-N 2 1 384.495 3.543 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2ncc(Cl)nc2Cl)CC2CC[NH2+]CC2)cc1 ZINC001236384174 1041692677 /nfs/dbraw/zinc/69/26/77/1041692677.db2.gz ZMQQRFYMHGFSNT-UHFFFAOYSA-N 2 1 383.298 3.924 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ncc(Cl)nc2Cl)CC2CC[NH2+]CC2)cc1 ZINC001236384174 1041692679 /nfs/dbraw/zinc/69/26/79/1041692679.db2.gz ZMQQRFYMHGFSNT-UHFFFAOYSA-N 2 1 383.298 3.924 20 0 GHADMP Fc1cccc(CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236395406 1041699085 /nfs/dbraw/zinc/69/90/85/1041699085.db2.gz RYQNGKBPYUKMTC-LADGPHEKSA-N 2 1 381.539 3.902 20 0 GHADMP Clc1ccc(C[N@H+](Cc2cccc(-n3cncn3)c2)C2CC[NH2+]CC2)cc1 ZINC001236455694 1041720508 /nfs/dbraw/zinc/72/05/08/1041720508.db2.gz XUVUYDJRKVDFGQ-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2cccc(-n3cncn3)c2)C2CC[NH2+]CC2)cc1 ZINC001236455694 1041720514 /nfs/dbraw/zinc/72/05/14/1041720514.db2.gz XUVUYDJRKVDFGQ-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP CCOCC[N@H+](Cc1cc2c(cccc2Br)[nH]1)C1CC[NH2+]CC1 ZINC001236460464 1041722770 /nfs/dbraw/zinc/72/27/70/1041722770.db2.gz DRWOOOXTDNBBJZ-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP CCOCC[N@@H+](Cc1cc2c(cccc2Br)[nH]1)C1CC[NH2+]CC1 ZINC001236460464 1041722775 /nfs/dbraw/zinc/72/27/75/1041722775.db2.gz DRWOOOXTDNBBJZ-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3c2ccn3C)C2CC[NH2+]CC2)c1 ZINC001236464867 1041727263 /nfs/dbraw/zinc/72/72/63/1041727263.db2.gz MBSWALBONLZKJP-UHFFFAOYSA-N 2 1 391.515 3.719 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3c2ccn3C)C2CC[NH2+]CC2)c1 ZINC001236464867 1041727269 /nfs/dbraw/zinc/72/72/69/1041727269.db2.gz MBSWALBONLZKJP-UHFFFAOYSA-N 2 1 391.515 3.719 20 0 GHADMP CCOC1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001256438840 1041732505 /nfs/dbraw/zinc/73/25/05/1041732505.db2.gz GVZLTURMUAKGDT-IOJLRTSASA-N 2 1 376.541 3.683 20 0 GHADMP Oc1ccc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c2cccnc12 ZINC001236506211 1041745065 /nfs/dbraw/zinc/74/50/65/1041745065.db2.gz ZMMKLBRGSZAXQM-UHFFFAOYSA-N 2 1 383.442 3.973 20 0 GHADMP Oc1ccc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c2cccnc12 ZINC001236506211 1041745073 /nfs/dbraw/zinc/74/50/73/1041745073.db2.gz ZMMKLBRGSZAXQM-UHFFFAOYSA-N 2 1 383.442 3.973 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)Cc2ccccc2F)CC1 ZINC001236537444 1041755875 /nfs/dbraw/zinc/75/58/75/1041755875.db2.gz QNYWWARPFUFWTI-HZCBDIJESA-N 3 1 396.554 3.507 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc3nsnc3c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544103 1041757660 /nfs/dbraw/zinc/75/76/60/1041757660.db2.gz BBLOEZUWKPTMJX-IYARVYRRSA-N 2 1 382.533 3.972 20 0 GHADMP CC(C)C[N@@H+](Cc1ccc(I)o1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236549763 1041758464 /nfs/dbraw/zinc/75/84/64/1041758464.db2.gz BICZONSGYIHBRG-JOCQHMNTSA-N 2 1 376.282 3.612 20 0 GHADMP COC(=O)c1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)ccc1Br ZINC001236554486 1041760438 /nfs/dbraw/zinc/76/04/38/1041760438.db2.gz HGZSNQUDFZEENA-WKILWMFISA-N 2 1 397.357 3.964 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556481 1041761742 /nfs/dbraw/zinc/76/17/42/1041761742.db2.gz FQFCEZPNHUKZNE-WGSAOQKQSA-N 2 1 384.520 3.990 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1-c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001236562611 1041764160 /nfs/dbraw/zinc/76/41/60/1041764160.db2.gz YIPFETAGSITXNC-UHFFFAOYSA-N 2 1 377.532 3.645 20 0 GHADMP Cn1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c2cc(Br)ccc21 ZINC001236597332 1041772773 /nfs/dbraw/zinc/77/27/73/1041772773.db2.gz CDUMRTSABBCTEB-CQSZACIVSA-N 2 1 376.342 3.905 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1I ZINC001236604873 1041777104 /nfs/dbraw/zinc/77/71/04/1041777104.db2.gz IHQWQELNSIAJPW-OAHLLOKOSA-N 2 1 384.305 3.564 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)c(OCc2ccccc2)c1 ZINC001236623884 1041790044 /nfs/dbraw/zinc/79/00/44/1041790044.db2.gz VJIXZSAUCLZDQB-HSZRJFAPSA-N 2 1 379.548 3.571 20 0 GHADMP COc1cccc(Br)c1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001236672888 1041820414 /nfs/dbraw/zinc/82/04/14/1041820414.db2.gz JXSOLYDNENZTBT-UHFFFAOYSA-N 2 1 390.325 3.900 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236722837 1041857563 /nfs/dbraw/zinc/85/75/63/1041857563.db2.gz MAVGLBPWXVGINO-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cn(Cc3ccccc3)nn2)CC2CCCCC2)CC1 ZINC001236758890 1041876485 /nfs/dbraw/zinc/87/64/85/1041876485.db2.gz NWGMXENBJZBTLO-AFARHQOCSA-N 2 1 381.568 3.979 20 0 GHADMP CCC(CC)[N@@H+](Cc1[nH]c(C)c(CCC(=O)OC)c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781533 1041888305 /nfs/dbraw/zinc/88/83/05/1041888305.db2.gz FRXGQWVAWHOIKS-UAPYVXQJSA-N 2 1 377.573 3.998 20 0 GHADMP CCC[N@@H+](Cc1cc(Br)ccc1OC(F)F)C[C@H]1CC[NH2+]C1 ZINC001236845184 1041926260 /nfs/dbraw/zinc/92/62/60/1041926260.db2.gz ZLFVJOJDSMOUCG-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP CCC[N@H+](Cc1cc(Br)ccc1OC(F)F)C[C@H]1CC[NH2+]C1 ZINC001236845184 1041926264 /nfs/dbraw/zinc/92/62/64/1041926264.db2.gz ZLFVJOJDSMOUCG-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](CCC[NH2+]C3CCCCC3)C2)cc1 ZINC001236861279 1041931574 /nfs/dbraw/zinc/93/15/74/1041931574.db2.gz YTPPCAAJUNMQPA-QFIPXVFZSA-N 2 1 387.568 3.592 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)cc1 ZINC001236861279 1041931575 /nfs/dbraw/zinc/93/15/75/1041931575.db2.gz YTPPCAAJUNMQPA-QFIPXVFZSA-N 2 1 387.568 3.592 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)c2)CC1 ZINC001236890419 1041941917 /nfs/dbraw/zinc/94/19/17/1041941917.db2.gz OVQRXFMIVFXUMR-DEOSSOPVSA-N 2 1 379.548 3.620 20 0 GHADMP C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001236892984 1041942815 /nfs/dbraw/zinc/94/28/15/1041942815.db2.gz IEDVQCLTQXMLME-VWLOTQADSA-N 2 1 392.591 3.535 20 0 GHADMP CN(Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236892984 1041942818 /nfs/dbraw/zinc/94/28/18/1041942818.db2.gz IEDVQCLTQXMLME-VWLOTQADSA-N 2 1 392.591 3.535 20 0 GHADMP CN(Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236892984 1041942820 /nfs/dbraw/zinc/94/28/20/1041942820.db2.gz IEDVQCLTQXMLME-VWLOTQADSA-N 2 1 392.591 3.535 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(-n3ccnc3)c(Cl)c2)CC1 ZINC001236905033 1041949633 /nfs/dbraw/zinc/94/96/33/1041949633.db2.gz YJLBYIBVRZNOIQ-UHFFFAOYSA-N 2 1 381.911 3.968 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cccn2)c(Br)c1 ZINC001236915871 1041956520 /nfs/dbraw/zinc/95/65/20/1041956520.db2.gz FAGGWGSJUHABEW-UHFFFAOYSA-N 2 1 379.346 3.799 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C2)CC1 ZINC001236981351 1041977022 /nfs/dbraw/zinc/97/70/22/1041977022.db2.gz UZDJUPBMWYQHGK-UHFFFAOYSA-N 2 1 385.552 3.902 20 0 GHADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4OC(F)(F)F)nc3)C[C@@H]2C1 ZINC001237018899 1041992970 /nfs/dbraw/zinc/99/29/70/1041992970.db2.gz GHVDBJMLSFZRCP-IYBDPMFKSA-N 2 1 377.410 3.641 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4OC(F)(F)F)nc3)C[C@@H]2C1 ZINC001237018899 1041992977 /nfs/dbraw/zinc/99/29/77/1041992977.db2.gz GHVDBJMLSFZRCP-IYBDPMFKSA-N 2 1 377.410 3.641 20 0 GHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4OC(F)(F)F)nc3)C[C@@H]2C1 ZINC001237018899 1041992986 /nfs/dbraw/zinc/99/29/86/1041992986.db2.gz GHVDBJMLSFZRCP-IYBDPMFKSA-N 2 1 377.410 3.641 20 0 GHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4OC(F)(F)F)nc3)C[C@@H]2C1 ZINC001237018899 1041992987 /nfs/dbraw/zinc/99/29/87/1041992987.db2.gz GHVDBJMLSFZRCP-IYBDPMFKSA-N 2 1 377.410 3.641 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Br)cccc1Br ZINC001237082776 1042027523 /nfs/dbraw/zinc/02/75/23/1042027523.db2.gz WTYUBYHURLHBJT-YOGCLGLASA-N 2 1 388.147 3.913 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CC1OC=CC1=S)CC2 ZINC001237176974 1042078926 /nfs/dbraw/zinc/07/89/26/1042078926.db2.gz OMROEBDTBJHRRI-HNNXBMFYSA-N 2 1 393.578 3.528 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC1OC=CC1=S)CC2 ZINC001237176974 1042078932 /nfs/dbraw/zinc/07/89/32/1042078932.db2.gz OMROEBDTBJHRRI-HNNXBMFYSA-N 2 1 393.578 3.528 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1OC=CC1=S)CC2 ZINC001237177798 1042080356 /nfs/dbraw/zinc/08/03/56/1042080356.db2.gz SUIFCJSNEJEPDL-OAHLLOKOSA-N 2 1 378.563 3.885 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3ccccc3CS(=O)(=O)c3ccccc3)C2)CC1 ZINC001237235987 1042100271 /nfs/dbraw/zinc/10/02/71/1042100271.db2.gz OKSGLNYDCBKUTE-UHFFFAOYSA-N 2 1 398.572 3.578 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3CS(=O)(=O)c3ccccc3)C2)CC1 ZINC001237235987 1042100275 /nfs/dbraw/zinc/10/02/75/1042100275.db2.gz OKSGLNYDCBKUTE-UHFFFAOYSA-N 2 1 398.572 3.578 20 0 GHADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccc(CN4CCOCC4)cc3)CC[C@@H]1N2 ZINC001237237838 1042101174 /nfs/dbraw/zinc/10/11/74/1042101174.db2.gz YADRIEURRQJZNY-GMAHTHKFSA-N 2 1 397.950 3.956 20 0 GHADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@@H]1N2 ZINC001237237838 1042101177 /nfs/dbraw/zinc/10/11/77/1042101177.db2.gz YADRIEURRQJZNY-GMAHTHKFSA-N 2 1 397.950 3.956 20 0 GHADMP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3cccc(N4CC[NH2+]CC4)c3)CC[C@H]1N2 ZINC001237248545 1042107007 /nfs/dbraw/zinc/10/70/07/1042107007.db2.gz OWKICNANUHMHSF-IFMALSPDSA-N 2 1 382.939 3.533 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCC4(CC3)[NH2+]CCc3ccccc34)C2)cc1 ZINC001237275480 1042118770 /nfs/dbraw/zinc/11/87/70/1042118770.db2.gz OFNXYPWBLWDGCL-JOCHJYFZSA-N 2 1 375.560 3.646 20 0 GHADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001237316098 1042143300 /nfs/dbraw/zinc/14/33/00/1042143300.db2.gz OFTGTEMQVWCJII-UHFFFAOYSA-N 2 1 392.503 3.679 20 0 GHADMP COc1c(C)cccc1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237504094 1042239848 /nfs/dbraw/zinc/23/98/48/1042239848.db2.gz SJOWLVNOFVXNGU-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1c(C)cccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001237504094 1042239852 /nfs/dbraw/zinc/23/98/52/1042239852.db2.gz SJOWLVNOFVXNGU-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1c(C)cccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001237504094 1042239857 /nfs/dbraw/zinc/23/98/57/1042239857.db2.gz SJOWLVNOFVXNGU-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1c(C)cccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237504094 1042239861 /nfs/dbraw/zinc/23/98/61/1042239861.db2.gz SJOWLVNOFVXNGU-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1c(C)cccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237504094 1042239866 /nfs/dbraw/zinc/23/98/66/1042239866.db2.gz SJOWLVNOFVXNGU-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccn5nccc5c4)CC3)C2)cc1 ZINC001237541659 1042256476 /nfs/dbraw/zinc/25/64/76/1042256476.db2.gz SIBKEGIRBLHSHU-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](F)[C@](O)(C(F)(F)F)CC3)cc21 ZINC001237880973 1042407590 /nfs/dbraw/zinc/40/75/90/1042407590.db2.gz LQHBWOJOSFXFNX-HKUYNNGSSA-N 2 1 386.433 3.915 20 0 GHADMP CCOC(=O)c1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001237885758 1042410084 /nfs/dbraw/zinc/41/00/84/1042410084.db2.gz AKDMUVSSOBIDCD-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H]4[C@@H](CN4C(=O)OC(C)(C)C)C3)cc21 ZINC001237888732 1042411466 /nfs/dbraw/zinc/41/14/66/1042411466.db2.gz DGIBRNQIWNFJAK-QUCCMNQESA-N 2 1 383.536 3.739 20 0 GHADMP CCOC(=O)COc1cccc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001237912269 1042419629 /nfs/dbraw/zinc/41/96/29/1042419629.db2.gz CAFXODGWUJCUNX-UHFFFAOYSA-N 2 1 388.552 3.857 20 0 GHADMP CCOC(=O)COc1cccc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1 ZINC001237912269 1042419630 /nfs/dbraw/zinc/41/96/30/1042419630.db2.gz CAFXODGWUJCUNX-UHFFFAOYSA-N 2 1 388.552 3.857 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)ccnc1Cl)CC2 ZINC001238230057 1042526313 /nfs/dbraw/zinc/52/63/13/1042526313.db2.gz UBDMEOGTEQLUAD-OAHLLOKOSA-N 2 1 393.890 3.723 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(OC(C)C)ccc1C)C2 ZINC001238476148 1042610001 /nfs/dbraw/zinc/61/00/01/1042610001.db2.gz BFCKZPSJPWIZAT-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COc1cc(C)c(C)cc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001238757837 1042716325 /nfs/dbraw/zinc/71/63/25/1042716325.db2.gz SCYRWXGTDZOKTR-PUHATCMVSA-N 2 1 396.579 3.882 20 0 GHADMP COc1cc(F)c(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)cc1Cl ZINC001238791554 1042730304 /nfs/dbraw/zinc/73/03/04/1042730304.db2.gz QTRLQYIWTCOBPJ-AEFFLSMTSA-N 2 1 389.902 3.837 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001462655710 1070446958 /nfs/dbraw/zinc/44/69/58/1070446958.db2.gz SBNWSTSOXMJGEV-OKZBNKHCSA-N 2 1 383.536 3.815 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256531192 1043465104 /nfs/dbraw/zinc/46/51/04/1043465104.db2.gz QWMZHCGHGXSXQY-OFVILXPXSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256531192 1043465123 /nfs/dbraw/zinc/46/51/23/1043465123.db2.gz QWMZHCGHGXSXQY-OFVILXPXSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536087 1043476633 /nfs/dbraw/zinc/47/66/33/1043476633.db2.gz CDYYYBQNVOHPQO-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256536087 1043476640 /nfs/dbraw/zinc/47/66/40/1043476640.db2.gz CDYYYBQNVOHPQO-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536087 1043476650 /nfs/dbraw/zinc/47/66/50/1043476650.db2.gz CDYYYBQNVOHPQO-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536087 1043476660 /nfs/dbraw/zinc/47/66/60/1043476660.db2.gz CDYYYBQNVOHPQO-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]3C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536433 1043481572 /nfs/dbraw/zinc/48/15/72/1043481572.db2.gz HCDKSNZPKMYRAM-KMKNWIINSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]3C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536433 1043481579 /nfs/dbraw/zinc/48/15/79/1043481579.db2.gz HCDKSNZPKMYRAM-KMKNWIINSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536705 1043481747 /nfs/dbraw/zinc/48/17/47/1043481747.db2.gz FLOKMQKQVYJTGU-GWWHBBDRSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256536705 1043481761 /nfs/dbraw/zinc/48/17/61/1043481761.db2.gz FLOKMQKQVYJTGU-GWWHBBDRSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536705 1043481767 /nfs/dbraw/zinc/48/17/67/1043481767.db2.gz FLOKMQKQVYJTGU-GWWHBBDRSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536705 1043481776 /nfs/dbraw/zinc/48/17/76/1043481776.db2.gz FLOKMQKQVYJTGU-GWWHBBDRSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538518 1043488078 /nfs/dbraw/zinc/48/80/78/1043488078.db2.gz UAQXJQCOAHEIFI-HWHRFOGPSA-N 2 1 383.580 3.857 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538518 1043488085 /nfs/dbraw/zinc/48/80/85/1043488085.db2.gz UAQXJQCOAHEIFI-HWHRFOGPSA-N 2 1 383.580 3.857 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001256540672 1043491012 /nfs/dbraw/zinc/49/10/12/1043491012.db2.gz ZABNACNJAYRLOF-YJRNTSOCSA-N 2 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256540672 1043491021 /nfs/dbraw/zinc/49/10/21/1043491021.db2.gz ZABNACNJAYRLOF-YJRNTSOCSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256540672 1043491029 /nfs/dbraw/zinc/49/10/29/1043491029.db2.gz ZABNACNJAYRLOF-YJRNTSOCSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256540672 1043491036 /nfs/dbraw/zinc/49/10/36/1043491036.db2.gz ZABNACNJAYRLOF-YJRNTSOCSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256540672 1043491044 /nfs/dbraw/zinc/49/10/44/1043491044.db2.gz ZABNACNJAYRLOF-YJRNTSOCSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001256545646 1043502438 /nfs/dbraw/zinc/50/24/38/1043502438.db2.gz UEHIASBRRLGWAK-AKAGGGOCSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001256545646 1043502444 /nfs/dbraw/zinc/50/24/44/1043502444.db2.gz UEHIASBRRLGWAK-AKAGGGOCSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC001256545646 1043502455 /nfs/dbraw/zinc/50/24/55/1043502455.db2.gz UEHIASBRRLGWAK-AKAGGGOCSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC001256545646 1043502467 /nfs/dbraw/zinc/50/24/67/1043502467.db2.gz UEHIASBRRLGWAK-AKAGGGOCSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548596 1043508887 /nfs/dbraw/zinc/50/88/87/1043508887.db2.gz BLSVGBIULVUZDS-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548596 1043508899 /nfs/dbraw/zinc/50/88/99/1043508899.db2.gz BLSVGBIULVUZDS-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548596 1043508910 /nfs/dbraw/zinc/50/89/10/1043508910.db2.gz BLSVGBIULVUZDS-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548596 1043508923 /nfs/dbraw/zinc/50/89/23/1043508923.db2.gz BLSVGBIULVUZDS-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548538 1043510462 /nfs/dbraw/zinc/51/04/62/1043510462.db2.gz YRFZZARYBMAKRS-MHHVOYGZSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256548538 1043510468 /nfs/dbraw/zinc/51/04/68/1043510468.db2.gz YRFZZARYBMAKRS-MHHVOYGZSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548538 1043510479 /nfs/dbraw/zinc/51/04/79/1043510479.db2.gz YRFZZARYBMAKRS-MHHVOYGZSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548538 1043510486 /nfs/dbraw/zinc/51/04/86/1043510486.db2.gz YRFZZARYBMAKRS-MHHVOYGZSA-N 2 1 389.543 3.634 20 0 GHADMP COc1cccnc1N(C1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553120 1043521706 /nfs/dbraw/zinc/52/17/06/1043521706.db2.gz DYRXVKWJOZXAMR-UGKGYDQZSA-N 2 1 394.563 3.702 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC001256569813 1043543166 /nfs/dbraw/zinc/54/31/66/1043543166.db2.gz PEKGCVKJEASYQU-UHFFFAOYSA-N 2 1 395.385 3.995 20 0 GHADMP CCN1CC[C@@]2(C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001256571468 1043544022 /nfs/dbraw/zinc/54/40/22/1043544022.db2.gz ZTXXUBGCDCTXAJ-QPPBQGQZSA-N 2 1 383.580 3.587 20 0 GHADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+](C4CC[NH+](C(C)(C)C)CC4)C3)C2=O)c1 ZINC001256570695 1043544429 /nfs/dbraw/zinc/54/44/29/1043544429.db2.gz OJNZXHWUCZQJIV-DEOSSOPVSA-N 2 1 383.580 3.682 20 0 GHADMP CC(C)(C)[NH+]1CCC(N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC1 ZINC001256571050 1043545303 /nfs/dbraw/zinc/54/53/03/1043545303.db2.gz XABWYPQXZFCGET-UHFFFAOYSA-N 2 1 385.596 3.616 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256573347 1043547022 /nfs/dbraw/zinc/54/70/22/1043547022.db2.gz NINPJRLSSWQGEI-FQEVSTJZSA-N 2 1 389.584 3.598 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCCN(C4CC[NH+](Cc5ccncc5)CC4)[C@H]3C2)cc1 ZINC001256588538 1043555982 /nfs/dbraw/zinc/55/59/82/1043555982.db2.gz FSMBREPRXLICJK-NOZRDPDXSA-N 2 1 390.575 3.642 20 0 GHADMP CC[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001256601691 1043565882 /nfs/dbraw/zinc/56/58/82/1043565882.db2.gz YDGLEQLBDYRUKB-IBGZPJMESA-N 2 1 375.557 3.934 20 0 GHADMP COc1ccccc1S[C@@H]1CC[N@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256696317 1043627391 /nfs/dbraw/zinc/62/73/91/1043627391.db2.gz BJHGZDXTYSNDHZ-CTWPCTMYSA-N 2 1 376.566 3.505 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001292323680 1043684557 /nfs/dbraw/zinc/68/45/57/1043684557.db2.gz DEKKOZRCOQVNPA-DBVUQKKJSA-N 2 1 387.593 3.603 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256852705 1043702105 /nfs/dbraw/zinc/70/21/05/1043702105.db2.gz DURHAPWNAUJAEY-AQYVVDRMSA-N 3 1 382.527 3.962 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256856098 1043704646 /nfs/dbraw/zinc/70/46/46/1043704646.db2.gz ACQMBLGYGUASQZ-QFIPXVFZSA-N 2 1 386.540 3.526 20 0 GHADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861695 1043707170 /nfs/dbraw/zinc/70/71/70/1043707170.db2.gz AAZBFXVPPXVRNH-HXUWFJFHSA-N 2 1 388.556 3.772 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256894535 1043727462 /nfs/dbraw/zinc/72/74/62/1043727462.db2.gz LBSMYHQVSMNVLC-JYBIWHBTSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256894535 1043727475 /nfs/dbraw/zinc/72/74/75/1043727475.db2.gz LBSMYHQVSMNVLC-JYBIWHBTSA-N 2 1 377.573 3.629 20 0 GHADMP [NH3+]CCCP(CCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256908784 1043735260 /nfs/dbraw/zinc/73/52/60/1043735260.db2.gz NTZLHVDZYMZQTF-TUHVGIAZSA-N 3 1 375.541 3.529 20 0 GHADMP [NH3+]CCCP(CCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256908784 1043735274 /nfs/dbraw/zinc/73/52/74/1043735274.db2.gz NTZLHVDZYMZQTF-TUHVGIAZSA-N 3 1 375.541 3.529 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160834 1043907978 /nfs/dbraw/zinc/90/79/78/1043907978.db2.gz RDIPIUKYGPHZAN-UIFIKXQLSA-N 2 1 398.572 3.920 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160834 1043907986 /nfs/dbraw/zinc/90/79/86/1043907986.db2.gz RDIPIUKYGPHZAN-UIFIKXQLSA-N 2 1 398.572 3.920 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160834 1043907989 /nfs/dbraw/zinc/90/79/89/1043907989.db2.gz RDIPIUKYGPHZAN-UIFIKXQLSA-N 2 1 398.572 3.920 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160834 1043907990 /nfs/dbraw/zinc/90/79/90/1043907990.db2.gz RDIPIUKYGPHZAN-UIFIKXQLSA-N 2 1 398.572 3.920 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001257476012 1044007715 /nfs/dbraw/zinc/00/77/15/1044007715.db2.gz FCGWGUDZQCCXOM-OALUTQOASA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001257476012 1044007728 /nfs/dbraw/zinc/00/77/28/1044007728.db2.gz FCGWGUDZQCCXOM-OALUTQOASA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001257476012 1044007739 /nfs/dbraw/zinc/00/77/39/1044007739.db2.gz FCGWGUDZQCCXOM-OALUTQOASA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001257479925 1044010928 /nfs/dbraw/zinc/01/09/28/1044010928.db2.gz SGDXIRKYGKJCBD-VQTJNVASSA-N 2 1 391.604 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(CCC(n3cc[nH+]c3CCC[NH3+])CC2)C1 ZINC001257769789 1044160052 /nfs/dbraw/zinc/16/00/52/1044160052.db2.gz IYUKAQFPIAKNNZ-UHFFFAOYSA-N 2 1 376.545 3.907 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001258013228 1044338603 /nfs/dbraw/zinc/33/86/03/1044338603.db2.gz NDNMVBPTBPUXFK-UGKGYDQZSA-N 2 1 397.579 3.778 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](C3CC[NH+](CC(C)C)CC3)C2)C1=O ZINC001258014297 1044340816 /nfs/dbraw/zinc/34/08/16/1044340816.db2.gz FLMHNTVTFJOOMR-DEOSSOPVSA-N 2 1 383.580 3.753 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4cccnc4)CC3)CC2)CC1 ZINC001258015167 1044342062 /nfs/dbraw/zinc/34/20/62/1044342062.db2.gz QFMZUBTXEWRNJF-UHFFFAOYSA-N 2 1 398.595 3.520 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)[C@@H]1C2 ZINC001258140203 1044425680 /nfs/dbraw/zinc/42/56/80/1044425680.db2.gz UBOFSLAKUHKUTK-BVSLBCMMSA-N 2 1 399.579 3.681 20 0 GHADMP C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146441 1044434604 /nfs/dbraw/zinc/43/46/04/1044434604.db2.gz XVQMYGIZXLOUQG-OAQYLSRUSA-N 2 1 387.568 3.635 20 0 GHADMP C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146441 1044434614 /nfs/dbraw/zinc/43/46/14/1044434614.db2.gz XVQMYGIZXLOUQG-OAQYLSRUSA-N 2 1 387.568 3.635 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001258149326 1044438911 /nfs/dbraw/zinc/43/89/11/1044438911.db2.gz JUXGHFQUNKGVQL-ZEQRLZLVSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001258149326 1044438915 /nfs/dbraw/zinc/43/89/15/1044438915.db2.gz JUXGHFQUNKGVQL-ZEQRLZLVSA-N 2 1 392.543 3.930 20 0 GHADMP Oc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279083331 1044475602 /nfs/dbraw/zinc/47/56/02/1044475602.db2.gz BLHVNZIEBDFWDF-GASCZTMLSA-N 2 1 395.334 3.766 20 0 GHADMP Oc1cc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279083331 1044475610 /nfs/dbraw/zinc/47/56/10/1044475610.db2.gz BLHVNZIEBDFWDF-GASCZTMLSA-N 2 1 395.334 3.766 20 0 GHADMP Oc1cc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279083331 1044475619 /nfs/dbraw/zinc/47/56/19/1044475619.db2.gz BLHVNZIEBDFWDF-GASCZTMLSA-N 2 1 395.334 3.766 20 0 GHADMP C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258313147 1044501787 /nfs/dbraw/zinc/50/17/87/1044501787.db2.gz SVVAQADWWFJMDA-YSIASYRMSA-N 2 1 379.614 3.780 20 0 GHADMP CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001258338935 1044515804 /nfs/dbraw/zinc/51/58/04/1044515804.db2.gz WWWRXZTZXNOEFV-ZRNYENFQSA-N 2 1 378.630 3.977 20 0 GHADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001258338935 1044515821 /nfs/dbraw/zinc/51/58/21/1044515821.db2.gz WWWRXZTZXNOEFV-ZRNYENFQSA-N 2 1 378.630 3.977 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001258338935 1044515838 /nfs/dbraw/zinc/51/58/38/1044515838.db2.gz WWWRXZTZXNOEFV-ZRNYENFQSA-N 2 1 378.630 3.977 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001258338935 1044515852 /nfs/dbraw/zinc/51/58/52/1044515852.db2.gz WWWRXZTZXNOEFV-ZRNYENFQSA-N 2 1 378.630 3.977 20 0 GHADMP COc1ccc(CC[C@@H](C)[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001258401371 1044537963 /nfs/dbraw/zinc/53/79/63/1044537963.db2.gz LYJPPDQBMJOYSR-ZFJSRUIDSA-N 2 1 386.580 3.697 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001258401371 1044537979 /nfs/dbraw/zinc/53/79/79/1044537979.db2.gz LYJPPDQBMJOYSR-ZFJSRUIDSA-N 2 1 386.580 3.697 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001258401371 1044537994 /nfs/dbraw/zinc/53/79/94/1044537994.db2.gz LYJPPDQBMJOYSR-ZFJSRUIDSA-N 2 1 386.580 3.697 20 0 GHADMP CC1(C)COC2(CCC([N@@H+](Cc3ccncc3)[C@H]3CC[C@H]([NH3+])CC3)CC2)OC1 ZINC001258521984 1044599752 /nfs/dbraw/zinc/59/97/52/1044599752.db2.gz OOQDPSBTTYTFRR-MXVIHJGJSA-N 2 1 387.568 3.865 20 0 GHADMP CCCC1CCC([N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001258532361 1044610869 /nfs/dbraw/zinc/61/08/69/1044610869.db2.gz XAIDXADRGLWNJQ-BWWMBTDCSA-N 2 1 377.617 3.606 20 0 GHADMP CCCC1CCC([N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001258532361 1044610879 /nfs/dbraw/zinc/61/08/79/1044610879.db2.gz XAIDXADRGLWNJQ-BWWMBTDCSA-N 2 1 377.617 3.606 20 0 GHADMP CCCC1CCC([N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001258532361 1044610890 /nfs/dbraw/zinc/61/08/90/1044610890.db2.gz XAIDXADRGLWNJQ-BWWMBTDCSA-N 2 1 377.617 3.606 20 0 GHADMP C[N@H+](C1CCOCC1)C1CC[NH+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258546037 1044623467 /nfs/dbraw/zinc/62/34/67/1044623467.db2.gz QXQTYLJBVGLULI-UHFFFAOYSA-N 2 1 391.987 3.884 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CC[NH+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258546037 1044623472 /nfs/dbraw/zinc/62/34/72/1044623472.db2.gz QXQTYLJBVGLULI-UHFFFAOYSA-N 2 1 391.987 3.884 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001258660157 1044700992 /nfs/dbraw/zinc/70/09/92/1044700992.db2.gz ZBFYIMJTNJWIRE-NRFANRHFSA-N 2 1 384.568 3.578 20 0 GHADMP CCCC[C@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001258709191 1044725549 /nfs/dbraw/zinc/72/55/49/1044725549.db2.gz GWSQNZTWBSFSHV-YADHBBJMSA-N 2 1 396.579 3.939 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001297915151 1045656849 /nfs/dbraw/zinc/65/68/49/1045656849.db2.gz SIMFWFSJTZUSEY-VQIMIIECSA-N 2 1 391.943 3.768 20 0 GHADMP CC[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000563811010 1045985028 /nfs/dbraw/zinc/98/50/28/1045985028.db2.gz PUCKELPBMPNNQI-GOSISDBHSA-N 2 1 389.927 3.680 20 0 GHADMP CC[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000563811010 1045985034 /nfs/dbraw/zinc/98/50/34/1045985034.db2.gz PUCKELPBMPNNQI-GOSISDBHSA-N 2 1 389.927 3.680 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)o1 ZINC001302173329 1046854929 /nfs/dbraw/zinc/85/49/29/1046854929.db2.gz XDSYQRPYGANZSL-MRXNPFEDSA-N 2 1 384.307 3.681 20 0 GHADMP CCN(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001302569655 1046982283 /nfs/dbraw/zinc/98/22/83/1046982283.db2.gz JZDMXELZUMJLEY-DHIUTWEWSA-N 2 1 379.548 3.850 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC001302569655 1046982285 /nfs/dbraw/zinc/98/22/85/1046982285.db2.gz JZDMXELZUMJLEY-DHIUTWEWSA-N 2 1 379.548 3.850 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC001302569655 1046982287 /nfs/dbraw/zinc/98/22/87/1046982287.db2.gz JZDMXELZUMJLEY-DHIUTWEWSA-N 2 1 379.548 3.850 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001302569655 1046982297 /nfs/dbraw/zinc/98/22/97/1046982297.db2.gz JZDMXELZUMJLEY-DHIUTWEWSA-N 2 1 379.548 3.850 20 0 GHADMP COc1ccc(Br)c(F)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279368748 1047783047 /nfs/dbraw/zinc/78/30/47/1047783047.db2.gz CVQLPZXIJMVTGQ-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3c(Cl)cncc3Cl)CC2)C1 ZINC001279391026 1047790874 /nfs/dbraw/zinc/79/08/74/1047790874.db2.gz RKNQLPZMNHLLPA-UHFFFAOYSA-N 2 1 385.383 3.628 20 0 GHADMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3c(Cl)cncc3Cl)CC2)C1 ZINC001279391026 1047790897 /nfs/dbraw/zinc/79/08/97/1047790897.db2.gz RKNQLPZMNHLLPA-UHFFFAOYSA-N 2 1 385.383 3.628 20 0 GHADMP Brc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279506557 1047828470 /nfs/dbraw/zinc/82/84/70/1047828470.db2.gz XFHRIYBJZKSQBR-IYBDPMFKSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279506557 1047828474 /nfs/dbraw/zinc/82/84/74/1047828474.db2.gz XFHRIYBJZKSQBR-IYBDPMFKSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279506557 1047828479 /nfs/dbraw/zinc/82/84/79/1047828479.db2.gz XFHRIYBJZKSQBR-IYBDPMFKSA-N 2 1 395.370 3.578 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)CC2 ZINC001279579829 1047850932 /nfs/dbraw/zinc/85/09/32/1047850932.db2.gz PJNGMGXQHTWWLK-PZJWPPBQSA-N 2 1 375.988 3.793 20 0 GHADMP C[NH+](C)CCN1CCC2(C1)CC[NH+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)CC2 ZINC001279579829 1047850950 /nfs/dbraw/zinc/85/09/50/1047850950.db2.gz PJNGMGXQHTWWLK-PZJWPPBQSA-N 2 1 375.988 3.793 20 0 GHADMP CCSc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](COCCOC)CC[C@@H]2C1 ZINC001279985144 1048028688 /nfs/dbraw/zinc/02/86/88/1048028688.db2.gz YVMVJXPODZQXJR-KDURUIRLSA-N 2 1 378.582 3.563 20 0 GHADMP CCSc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](COCCOC)CC[C@@H]2C1 ZINC001279985144 1048028705 /nfs/dbraw/zinc/02/87/05/1048028705.db2.gz YVMVJXPODZQXJR-KDURUIRLSA-N 2 1 378.582 3.563 20 0 GHADMP CCSc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](COCCOC)CC[C@@H]2C1 ZINC001279985144 1048028718 /nfs/dbraw/zinc/02/87/18/1048028718.db2.gz YVMVJXPODZQXJR-KDURUIRLSA-N 2 1 378.582 3.563 20 0 GHADMP Cc1ncsc1C[N@H+]1CCCC2(CCN(CC[NH+]3CCCCC3)CC2)C1 ZINC001280257761 1048149452 /nfs/dbraw/zinc/14/94/52/1048149452.db2.gz QXAPFVATJFYJDB-UHFFFAOYSA-N 2 1 376.614 3.615 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCCC2(CC[NH+](CCN3CCCCC3)CC2)C1 ZINC001280257761 1048149457 /nfs/dbraw/zinc/14/94/57/1048149457.db2.gz QXAPFVATJFYJDB-UHFFFAOYSA-N 2 1 376.614 3.615 20 0 GHADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](CCN3CCCCC3)CC2)C1 ZINC001280257761 1048149460 /nfs/dbraw/zinc/14/94/60/1048149460.db2.gz QXAPFVATJFYJDB-UHFFFAOYSA-N 2 1 376.614 3.615 20 0 GHADMP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)CC1 ZINC001280310880 1048174087 /nfs/dbraw/zinc/17/40/87/1048174087.db2.gz PEPFLBMOUKQDLU-XLIONFOSSA-N 2 1 396.000 3.604 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC001307615339 1049451712 /nfs/dbraw/zinc/45/17/12/1049451712.db2.gz IJFMKKDXIRECOB-FGZHOGPDSA-N 2 1 393.575 3.811 20 0 GHADMP CCCC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CCC1 ZINC001307669822 1049492220 /nfs/dbraw/zinc/49/22/20/1049492220.db2.gz ZVGMLJWVUOTDCY-QHCPKHFHSA-N 2 1 385.596 3.978 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCCC[C@H]1C ZINC001307683601 1049503686 /nfs/dbraw/zinc/50/36/86/1049503686.db2.gz KANZFQHUTJDKAS-DENIHFKCSA-N 2 1 386.584 3.668 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)CC1 ZINC001307805016 1049603358 /nfs/dbraw/zinc/60/33/58/1049603358.db2.gz CEESCWHIWXFDNM-UHFFFAOYSA-N 2 1 391.559 3.701 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccc(-c4ccccc4)cc3C2)CC1 ZINC001307805016 1049603363 /nfs/dbraw/zinc/60/33/63/1049603363.db2.gz CEESCWHIWXFDNM-UHFFFAOYSA-N 2 1 391.559 3.701 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(F)c(F)c2F)[C@@H](c2ccccc2)C1 ZINC001308196208 1049908240 /nfs/dbraw/zinc/90/82/40/1049908240.db2.gz DGXNUFNTOZTFJK-LJQANCHMSA-N 2 1 377.454 3.572 20 0 GHADMP CC(C)[C@H](C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001308199338 1049909976 /nfs/dbraw/zinc/90/99/76/1049909976.db2.gz QLSMWAIBJYSQQF-LVIWNVNYSA-N 2 1 379.589 3.732 20 0 GHADMP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC001308201424 1049910479 /nfs/dbraw/zinc/91/04/79/1049910479.db2.gz GRPRFFAGJNGNPH-SFHVURJKSA-N 2 1 384.520 3.757 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC001308203158 1049911204 /nfs/dbraw/zinc/91/12/04/1049911204.db2.gz PUZVUVJCXLLULR-QHCPKHFHSA-N 2 1 385.596 3.796 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC(Cn3ccnn3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308603407 1050027911 /nfs/dbraw/zinc/02/79/11/1050027911.db2.gz KOCRJSBOHYICOE-XMMPIXPASA-N 2 1 395.595 3.929 20 0 GHADMP C[NH+]1CCC(C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001308736585 1050076435 /nfs/dbraw/zinc/07/64/35/1050076435.db2.gz RTKJNQNTFGHKTE-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001328690512 1050593794 /nfs/dbraw/zinc/59/37/94/1050593794.db2.gz DTCBRERVCIWTLB-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001331452293 1051283999 /nfs/dbraw/zinc/28/39/99/1051283999.db2.gz LPTPHZPIEROUNY-HXUWFJFHSA-N 2 1 398.595 3.736 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)[nH+]c1C ZINC001331704938 1051356342 /nfs/dbraw/zinc/35/63/42/1051356342.db2.gz ZVCDSGOQQQPECM-KRWDZBQOSA-N 2 1 376.545 3.853 20 0 GHADMP CCN(C(=O)c1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001332152842 1051467847 /nfs/dbraw/zinc/46/78/47/1051467847.db2.gz XINZVHGNEYMBGI-WZONZLPQSA-N 2 1 377.532 3.630 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC001311430513 1052136114 /nfs/dbraw/zinc/13/61/14/1052136114.db2.gz MVRYKGXOBPVGTF-FQEVSTJZSA-N 2 1 380.621 3.842 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001311588426 1052267515 /nfs/dbraw/zinc/26/75/15/1052267515.db2.gz MYKIOHDWLCCBSF-QFIPXVFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001311588426 1052267520 /nfs/dbraw/zinc/26/75/20/1052267520.db2.gz MYKIOHDWLCCBSF-QFIPXVFZSA-N 2 1 380.536 3.514 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC001336737873 1052319239 /nfs/dbraw/zinc/31/92/39/1052319239.db2.gz RWIRLEALFNJSTN-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001311715310 1052352098 /nfs/dbraw/zinc/35/20/98/1052352098.db2.gz VLXVMAWVFBUOLN-IRLDBZIGSA-N 2 1 386.584 3.729 20 0 GHADMP Cc1ccc(NCCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[nH+]c1 ZINC001311766598 1052384205 /nfs/dbraw/zinc/38/42/05/1052384205.db2.gz VMSZEEIKLHFCAT-UHFFFAOYSA-N 2 1 395.551 3.677 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001311870096 1052446342 /nfs/dbraw/zinc/44/63/42/1052446342.db2.gz CLWWUEMBNCHDML-HXUWFJFHSA-N 2 1 394.991 3.726 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001311870096 1052446346 /nfs/dbraw/zinc/44/63/46/1052446346.db2.gz CLWWUEMBNCHDML-HXUWFJFHSA-N 2 1 394.991 3.726 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001311870096 1052446350 /nfs/dbraw/zinc/44/63/50/1052446350.db2.gz CLWWUEMBNCHDML-HXUWFJFHSA-N 2 1 394.991 3.726 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3cccs3)s2)CC1 ZINC001337606878 1052514683 /nfs/dbraw/zinc/51/46/83/1052514683.db2.gz PXUFEFYGGWTLTL-UHFFFAOYSA-N 2 1 384.530 3.876 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CC1 ZINC001312558493 1052790678 /nfs/dbraw/zinc/79/06/78/1052790678.db2.gz HWKJVAREUNBGCN-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001312642261 1052822098 /nfs/dbraw/zinc/82/20/98/1052822098.db2.gz YARMZIJLHTYYHG-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001312642261 1052822101 /nfs/dbraw/zinc/82/21/01/1052822101.db2.gz YARMZIJLHTYYHG-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001312642261 1052822105 /nfs/dbraw/zinc/82/21/05/1052822105.db2.gz YARMZIJLHTYYHG-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313138189 1052967121 /nfs/dbraw/zinc/96/71/21/1052967121.db2.gz HHHNMAYEQAWGML-GOTSBHOMSA-N 2 1 398.595 3.701 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1 ZINC001317958227 1054326933 /nfs/dbraw/zinc/32/69/33/1054326933.db2.gz IVRQHAWAZSMJET-IHWYPQMZSA-N 2 1 391.302 3.792 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001318303955 1054557019 /nfs/dbraw/zinc/55/70/19/1054557019.db2.gz XOXTYLLTCQKPSQ-OAQYLSRUSA-N 2 1 391.987 3.933 20 0 GHADMP CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cnccc1-n1ccnc1C ZINC001318552668 1054714538 /nfs/dbraw/zinc/71/45/38/1054714538.db2.gz IVFWKDGMVKMECH-AWEZNQCLSA-N 2 1 389.463 3.852 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC001318671464 1054788126 /nfs/dbraw/zinc/78/81/26/1054788126.db2.gz KUPBRQLNSCBQIG-FXAWDEMLSA-N 2 1 392.975 3.603 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001345808806 1055270011 /nfs/dbraw/zinc/27/00/11/1055270011.db2.gz NAUPXVSIUJDKMM-DFQSSKMNSA-N 2 1 381.524 3.517 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC001345808806 1055270018 /nfs/dbraw/zinc/27/00/18/1055270018.db2.gz NAUPXVSIUJDKMM-DFQSSKMNSA-N 2 1 381.524 3.517 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1)CC1CC1 ZINC001319756489 1055447603 /nfs/dbraw/zinc/44/76/03/1055447603.db2.gz ZUKRTARCCRRMRS-UHFFFAOYSA-N 2 1 395.551 3.550 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1)CC1CC1 ZINC001319756489 1055447609 /nfs/dbraw/zinc/44/76/09/1055447609.db2.gz ZUKRTARCCRRMRS-UHFFFAOYSA-N 2 1 395.551 3.550 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C(C)C)cc1 ZINC001319793709 1055471360 /nfs/dbraw/zinc/47/13/60/1055471360.db2.gz IIXIURLNPXRZDB-XMMPIXPASA-N 2 1 381.564 3.930 20 0 GHADMP CCOC(=O)C1CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001474744466 1055605846 /nfs/dbraw/zinc/60/58/46/1055605846.db2.gz HQUNQARCEOELKE-LLELIRKLSA-N 2 1 384.564 3.999 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC001354115568 1056349779 /nfs/dbraw/zinc/34/97/79/1056349779.db2.gz BNABJCBWJAEYQF-QLBRKBSLSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001354115568 1056349799 /nfs/dbraw/zinc/34/97/99/1056349799.db2.gz BNABJCBWJAEYQF-QLBRKBSLSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001354115568 1056349816 /nfs/dbraw/zinc/34/98/16/1056349816.db2.gz BNABJCBWJAEYQF-QLBRKBSLSA-N 2 1 397.607 3.866 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001322075654 1056505258 /nfs/dbraw/zinc/50/52/58/1056505258.db2.gz WGRGRTQBKXBHAV-DHIUTWEWSA-N 2 1 383.580 3.684 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC001323193957 1056937041 /nfs/dbraw/zinc/93/70/41/1056937041.db2.gz UMOIUQYJTZVWQY-SJLPKXTDSA-N 2 1 390.572 3.797 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(OCC(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC001200821348 1056989978 /nfs/dbraw/zinc/98/99/78/1056989978.db2.gz NOMFHSUBXGBSNH-UHFFFAOYSA-N 2 1 394.441 3.793 20 0 GHADMP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1C ZINC001323786222 1057013304 /nfs/dbraw/zinc/01/33/04/1057013304.db2.gz SYUMIBZHDUHXGZ-HXUWFJFHSA-N 2 1 381.564 3.910 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481313 1057117922 /nfs/dbraw/zinc/11/79/22/1057117922.db2.gz APHCQOIRAYUXCJ-VQIMIIECSA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481313 1057117926 /nfs/dbraw/zinc/11/79/26/1057117926.db2.gz APHCQOIRAYUXCJ-VQIMIIECSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481313 1057117927 /nfs/dbraw/zinc/11/79/27/1057117927.db2.gz APHCQOIRAYUXCJ-VQIMIIECSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481313 1057117931 /nfs/dbraw/zinc/11/79/31/1057117931.db2.gz APHCQOIRAYUXCJ-VQIMIIECSA-N 2 1 389.341 3.686 20 0 GHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001324784105 1057225854 /nfs/dbraw/zinc/22/58/54/1057225854.db2.gz KMWUHCRFYNOFNB-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324784105 1057225862 /nfs/dbraw/zinc/22/58/62/1057225862.db2.gz KMWUHCRFYNOFNB-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324784105 1057225866 /nfs/dbraw/zinc/22/58/66/1057225866.db2.gz KMWUHCRFYNOFNB-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000848989821 1057492788 /nfs/dbraw/zinc/49/27/88/1057492788.db2.gz CJWNZQWAJIOTJZ-UGKGYDQZSA-N 2 1 394.563 3.652 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC001326758460 1057550799 /nfs/dbraw/zinc/55/07/99/1057550799.db2.gz WXCJBFMROMDDGP-HXUWFJFHSA-N 2 1 389.927 3.659 20 0 GHADMP Cc1nc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(C)c(C)[nH+]1 ZINC000474791403 1057551938 /nfs/dbraw/zinc/55/19/38/1057551938.db2.gz RABRVOAUEKFFJJ-UHFFFAOYSA-N 2 1 384.524 3.504 20 0 GHADMP Cc1nc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(C)c(C)[nH+]1 ZINC000474791403 1057551947 /nfs/dbraw/zinc/55/19/47/1057551947.db2.gz RABRVOAUEKFFJJ-UHFFFAOYSA-N 2 1 384.524 3.504 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC000849073853 1057582391 /nfs/dbraw/zinc/58/23/91/1057582391.db2.gz JCCJBVSLFOGOOR-OAHLLOKOSA-N 2 1 386.462 3.591 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CC1 ZINC000849092571 1057591919 /nfs/dbraw/zinc/59/19/19/1057591919.db2.gz QXVVEXZBSBQOOQ-LEWJYISDSA-N 2 1 378.520 3.535 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc(C)[nH+]1 ZINC001338112352 1058411128 /nfs/dbraw/zinc/41/11/28/1058411128.db2.gz LSOZHBBVHAPWRO-KRWDZBQOSA-N 2 1 380.414 3.564 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586843 1058540618 /nfs/dbraw/zinc/54/06/18/1058540618.db2.gz JWIKOFOLGHIKRX-PKTZIBPZSA-N 2 1 391.559 3.708 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4C[C@H](C)C[C@H](C)C4)cc3)C[N@H+]2C1 ZINC001441484518 1058793870 /nfs/dbraw/zinc/79/38/70/1058793870.db2.gz ULSJBXVVJXBSOV-ICWLXMKVSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)C[NH+]2C1 ZINC001441484518 1058793889 /nfs/dbraw/zinc/79/38/89/1058793889.db2.gz ULSJBXVVJXBSOV-ICWLXMKVSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)C[NH+]2C1 ZINC001441484518 1058793909 /nfs/dbraw/zinc/79/39/09/1058793909.db2.gz ULSJBXVVJXBSOV-ICWLXMKVSA-N 2 1 397.607 3.901 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001338808065 1058799549 /nfs/dbraw/zinc/79/95/49/1058799549.db2.gz WFEFXHYVNNCXPV-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001338808065 1058799567 /nfs/dbraw/zinc/79/95/67/1058799567.db2.gz WFEFXHYVNNCXPV-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC001442569679 1058977844 /nfs/dbraw/zinc/97/78/44/1058977844.db2.gz FBJNKSNQSUWSDE-QFIPXVFZSA-N 2 1 379.548 3.536 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+](C)CCc2ccccc2)CCCC1)c1ccccc1 ZINC001444092053 1059263039 /nfs/dbraw/zinc/26/30/39/1059263039.db2.gz QSYQPSKCUUBLIM-OAQYLSRUSA-N 2 1 393.575 3.941 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001444838439 1059392289 /nfs/dbraw/zinc/39/22/89/1059392289.db2.gz CNILVYOPJSHTCH-BJKOFHAPSA-N 2 1 391.559 3.947 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001444838439 1059392313 /nfs/dbraw/zinc/39/23/13/1059392313.db2.gz CNILVYOPJSHTCH-BJKOFHAPSA-N 2 1 391.559 3.947 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001455293948 1062093903 /nfs/dbraw/zinc/09/39/03/1062093903.db2.gz GGTZMGISDACTMD-CTNGQTDRSA-N 2 1 382.552 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001455293948 1062093945 /nfs/dbraw/zinc/09/39/45/1062093945.db2.gz GGTZMGISDACTMD-CTNGQTDRSA-N 2 1 382.552 3.910 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H](O)c3cc4ccccc4o3)CC2)CC1 ZINC001347642239 1062546795 /nfs/dbraw/zinc/54/67/95/1062546795.db2.gz LJCYNGIWQZRLOX-JOCHJYFZSA-N 2 1 399.579 3.594 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC001435417852 1062587725 /nfs/dbraw/zinc/58/77/25/1062587725.db2.gz UYLMZLUMPILQOM-QHCPKHFHSA-N 2 1 397.538 3.737 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC[NH+](C)Cc2ccc(F)cc2)c1 ZINC001435417852 1062587745 /nfs/dbraw/zinc/58/77/45/1062587745.db2.gz UYLMZLUMPILQOM-QHCPKHFHSA-N 2 1 397.538 3.737 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC[NH+](C)Cc2ccc(F)cc2)c1 ZINC001435417852 1062587766 /nfs/dbraw/zinc/58/77/66/1062587766.db2.gz UYLMZLUMPILQOM-QHCPKHFHSA-N 2 1 397.538 3.737 20 0 GHADMP CCC[N@@H+](C)CC(=O)N[C@]1(C)C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456551255 1062746357 /nfs/dbraw/zinc/74/63/57/1062746357.db2.gz QCGGZLYRPQSWND-LADGPHEKSA-N 2 1 379.548 3.503 20 0 GHADMP CCC[NH+](C)CC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456551255 1062746375 /nfs/dbraw/zinc/74/63/75/1062746375.db2.gz QCGGZLYRPQSWND-LADGPHEKSA-N 2 1 379.548 3.503 20 0 GHADMP CCC[NH+](C)CC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001456551255 1062746397 /nfs/dbraw/zinc/74/63/97/1062746397.db2.gz QCGGZLYRPQSWND-LADGPHEKSA-N 2 1 379.548 3.503 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC001457967632 1063473841 /nfs/dbraw/zinc/47/38/41/1063473841.db2.gz FKYPFJQNCOCAGX-JFTIXFDTSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001457967632 1063473854 /nfs/dbraw/zinc/47/38/54/1063473854.db2.gz FKYPFJQNCOCAGX-JFTIXFDTSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001457967632 1063473873 /nfs/dbraw/zinc/47/38/73/1063473873.db2.gz FKYPFJQNCOCAGX-JFTIXFDTSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC001459476327 1064109018 /nfs/dbraw/zinc/10/90/18/1064109018.db2.gz KBPXJFUEGUVOJE-RUZDIDTESA-N 2 1 395.591 3.852 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC001459476327 1064109020 /nfs/dbraw/zinc/10/90/20/1064109020.db2.gz KBPXJFUEGUVOJE-RUZDIDTESA-N 2 1 395.591 3.852 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC001459476327 1064109025 /nfs/dbraw/zinc/10/90/25/1064109025.db2.gz KBPXJFUEGUVOJE-RUZDIDTESA-N 2 1 395.591 3.852 20 0 GHADMP CC/C(=C\C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001351222046 1064312173 /nfs/dbraw/zinc/31/21/73/1064312173.db2.gz XYASFSIOPCRFET-JQIJEIRASA-N 2 1 384.911 3.919 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001464693820 1065159922 /nfs/dbraw/zinc/15/99/22/1065159922.db2.gz JNBPSPIZUJQMGT-APWZRJJASA-N 2 1 399.501 3.841 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001464866090 1065250774 /nfs/dbraw/zinc/25/07/74/1065250774.db2.gz AZQVFFIPOBBVIF-OAQYLSRUSA-N 2 1 395.547 3.560 20 0 GHADMP CCC[C@H]1CN(C(=O)CN(C)CCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001546153496 1065900529 /nfs/dbraw/zinc/90/05/29/1065900529.db2.gz PBXDHIATCDJTAW-DEOSSOPVSA-N 2 1 393.575 3.674 20 0 GHADMP [NH3+]Cc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001357346522 1067057680 /nfs/dbraw/zinc/05/76/80/1067057680.db2.gz LQXSBVXKZRALRJ-UHFFFAOYSA-N 2 1 391.437 3.512 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001467847451 1067495696 /nfs/dbraw/zinc/49/56/96/1067495696.db2.gz WOXMVXCXUGMRRD-UWJYYQICSA-N 2 1 399.966 3.548 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC001467847451 1067495702 /nfs/dbraw/zinc/49/57/02/1067495702.db2.gz WOXMVXCXUGMRRD-UWJYYQICSA-N 2 1 399.966 3.548 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001468314988 1067681052 /nfs/dbraw/zinc/68/10/52/1067681052.db2.gz ZPYJZIXDFQWENV-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CC[C@](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)(C(=O)OC)c1ccccc1 ZINC001474576145 1067712261 /nfs/dbraw/zinc/71/22/61/1067712261.db2.gz JSVUAFJWPYIIJH-XMMPIXPASA-N 2 1 380.532 3.762 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC001468387767 1067714181 /nfs/dbraw/zinc/71/41/81/1067714181.db2.gz JCIMDUIAICXVEU-PKTZIBPZSA-N 2 1 398.595 3.696 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001468611701 1067791114 /nfs/dbraw/zinc/79/11/14/1067791114.db2.gz ZUAHGFARWAAFRT-BHDDXSALSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1)[NH+](C)C1CC1 ZINC001468656344 1067809196 /nfs/dbraw/zinc/80/91/96/1067809196.db2.gz YETWNLMUBRXUQL-IBGZPJMESA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1)[N@H+](C)C1CC1 ZINC001468656344 1067809202 /nfs/dbraw/zinc/80/92/02/1067809202.db2.gz YETWNLMUBRXUQL-IBGZPJMESA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1)[N@@H+](C)C1CC1 ZINC001468656344 1067809206 /nfs/dbraw/zinc/80/92/06/1067809206.db2.gz YETWNLMUBRXUQL-IBGZPJMESA-N 2 1 386.584 3.603 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001477866153 1078601916 /nfs/dbraw/zinc/60/19/16/1078601916.db2.gz YYDOGMJFJDCCFB-KSEOMHKRSA-N 2 1 388.600 3.926 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001468872998 1067914479 /nfs/dbraw/zinc/91/44/79/1067914479.db2.gz KBNLXNXDDJBMIS-YPAWHYETSA-N 2 1 384.568 3.530 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001469686012 1068309994 /nfs/dbraw/zinc/30/99/94/1068309994.db2.gz HMLJQXCILXVRBS-GMAHTHKFSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001469686012 1068310011 /nfs/dbraw/zinc/31/00/11/1068310011.db2.gz HMLJQXCILXVRBS-GMAHTHKFSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001469686012 1068310026 /nfs/dbraw/zinc/31/00/26/1068310026.db2.gz HMLJQXCILXVRBS-GMAHTHKFSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001469686012 1068310040 /nfs/dbraw/zinc/31/00/40/1068310040.db2.gz HMLJQXCILXVRBS-GMAHTHKFSA-N 2 1 392.547 3.527 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001469757434 1068364412 /nfs/dbraw/zinc/36/44/12/1068364412.db2.gz CMDMSLFTYUJGIY-IRLDBZIGSA-N 2 1 388.600 3.707 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001470004694 1068515204 /nfs/dbraw/zinc/51/52/04/1068515204.db2.gz OQHHOSDKHCXRCR-IBGZPJMESA-N 2 1 379.976 3.742 20 0 GHADMP C[C@@]1(CNC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001470012592 1068522671 /nfs/dbraw/zinc/52/26/71/1068522671.db2.gz LBEMCPFJTUKHKV-QHCPKHFHSA-N 2 1 386.584 3.510 20 0 GHADMP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001470026969 1068530317 /nfs/dbraw/zinc/53/03/17/1068530317.db2.gz VSDUHBLSPGOMRD-CVEARBPZSA-N 2 1 387.490 3.587 20 0 GHADMP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC001470026969 1068530325 /nfs/dbraw/zinc/53/03/25/1068530325.db2.gz VSDUHBLSPGOMRD-CVEARBPZSA-N 2 1 387.490 3.587 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001470364184 1068702485 /nfs/dbraw/zinc/70/24/85/1068702485.db2.gz OYPMFQKALUWWLS-IRLDBZIGSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001470364184 1068702493 /nfs/dbraw/zinc/70/24/93/1068702493.db2.gz OYPMFQKALUWWLS-IRLDBZIGSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001470364184 1068702504 /nfs/dbraw/zinc/70/25/04/1068702504.db2.gz OYPMFQKALUWWLS-IRLDBZIGSA-N 2 1 388.600 3.851 20 0 GHADMP O=C(NC[C@H]1CCN1Cc1ccccc1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001470376003 1068709122 /nfs/dbraw/zinc/70/91/22/1068709122.db2.gz RUCGVCGFHMKOOB-DHIUTWEWSA-N 2 1 395.522 3.571 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC001460802240 1069190212 /nfs/dbraw/zinc/19/02/12/1069190212.db2.gz RHSOTWRRXIPFPD-GOSISDBHSA-N 2 1 392.478 3.905 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC001460802240 1069190214 /nfs/dbraw/zinc/19/02/14/1069190214.db2.gz RHSOTWRRXIPFPD-GOSISDBHSA-N 2 1 392.478 3.905 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCCCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001471047707 1072904039 /nfs/dbraw/zinc/90/40/39/1072904039.db2.gz WDSKIWPTTLPEQG-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001471047707 1072904043 /nfs/dbraw/zinc/90/40/43/1072904043.db2.gz WDSKIWPTTLPEQG-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCCCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001471047707 1072904049 /nfs/dbraw/zinc/90/40/49/1072904049.db2.gz WDSKIWPTTLPEQG-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001471409322 1073059233 /nfs/dbraw/zinc/05/92/33/1073059233.db2.gz GWKLLXLWJUFLSU-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001471556927 1073132733 /nfs/dbraw/zinc/13/27/33/1073132733.db2.gz KBTFCCPCMMZHMV-GOTSBHOMSA-N 2 1 392.547 3.603 20 0 GHADMP CC[NH+](C)[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001471556927 1073132738 /nfs/dbraw/zinc/13/27/38/1073132738.db2.gz KBTFCCPCMMZHMV-GOTSBHOMSA-N 2 1 392.547 3.603 20 0 GHADMP CC[NH+](C)[C@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001471556927 1073132740 /nfs/dbraw/zinc/13/27/40/1073132740.db2.gz KBTFCCPCMMZHMV-GOTSBHOMSA-N 2 1 392.547 3.603 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC001478959237 1079040055 /nfs/dbraw/zinc/04/00/55/1079040055.db2.gz QUUVWXDKJJZQEM-OAQYLSRUSA-N 2 1 386.584 3.510 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)CC2)cc1 ZINC001478959237 1079040060 /nfs/dbraw/zinc/04/00/60/1079040060.db2.gz QUUVWXDKJJZQEM-OAQYLSRUSA-N 2 1 386.584 3.510 20 0 GHADMP C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)CC[NH+]2CC[C@@H](F)C2)cc1 ZINC001471880725 1073241792 /nfs/dbraw/zinc/24/17/92/1073241792.db2.gz ASPWJRHXDCSIHE-HXUWFJFHSA-N 2 1 399.510 3.570 20 0 GHADMP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)cc1 ZINC001471880725 1073241801 /nfs/dbraw/zinc/24/18/01/1073241801.db2.gz ASPWJRHXDCSIHE-HXUWFJFHSA-N 2 1 399.510 3.570 20 0 GHADMP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](F)C2)cc1 ZINC001471880725 1073241812 /nfs/dbraw/zinc/24/18/12/1073241812.db2.gz ASPWJRHXDCSIHE-HXUWFJFHSA-N 2 1 399.510 3.570 20 0 GHADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccc(Cl)c1 ZINC001473109559 1073783978 /nfs/dbraw/zinc/78/39/78/1073783978.db2.gz VLJJKSLPERRBPY-OAQYLSRUSA-N 2 1 387.955 3.970 20 0 GHADMP CC(=O)NC[C@H]1CCC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130047 1073796475 /nfs/dbraw/zinc/79/64/75/1073796475.db2.gz LOSORRPKQXEGRC-ILBGXUMGSA-N 2 1 393.575 3.750 20 0 GHADMP CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130047 1073796487 /nfs/dbraw/zinc/79/64/87/1073796487.db2.gz LOSORRPKQXEGRC-ILBGXUMGSA-N 2 1 393.575 3.750 20 0 GHADMP CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130047 1073796494 /nfs/dbraw/zinc/79/64/94/1073796494.db2.gz LOSORRPKQXEGRC-ILBGXUMGSA-N 2 1 393.575 3.750 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1)Cc1ccccc1 ZINC001473198389 1073850917 /nfs/dbraw/zinc/85/09/17/1073850917.db2.gz LUGBKSOGHOPCNI-XMMPIXPASA-N 2 1 391.559 3.634 20 0 GHADMP Cc1cccc([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001473374204 1073938628 /nfs/dbraw/zinc/93/86/28/1073938628.db2.gz GPVNEDVZEHPHTL-HUVFLSCGSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1cccc([C@@H]2CC[NH+]([C@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001473374204 1073938633 /nfs/dbraw/zinc/93/86/33/1073938633.db2.gz GPVNEDVZEHPHTL-HUVFLSCGSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1cccc([C@@H]2CC[NH+]([C@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001473374204 1073938634 /nfs/dbraw/zinc/93/86/34/1073938634.db2.gz GPVNEDVZEHPHTL-HUVFLSCGSA-N 2 1 391.559 3.564 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCC[C@@H]1C ZINC001473382927 1073942891 /nfs/dbraw/zinc/94/28/91/1073942891.db2.gz DQNMZKKTYPMAEM-REWPJTCUSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1ccc([C@@H]2CC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2(C)C)cc1 ZINC001473750536 1074122797 /nfs/dbraw/zinc/12/27/97/1074122797.db2.gz JVJCNWFJSJRPPM-XZOQPEGZSA-N 2 1 393.575 3.982 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc4c(F)cccc4c3)cc2)CC1 ZINC001473936460 1074211634 /nfs/dbraw/zinc/21/16/34/1074211634.db2.gz VPFYLVMOARXYPI-UHFFFAOYSA-N 2 1 392.522 3.801 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)c1ccc(F)cc1F ZINC001474002320 1074232841 /nfs/dbraw/zinc/23/28/41/1074232841.db2.gz LWPIDSZKHCRFGB-QFIPXVFZSA-N 2 1 376.491 3.920 20 0 GHADMP COc1cccc2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cccc12 ZINC001474020941 1074238551 /nfs/dbraw/zinc/23/85/51/1074238551.db2.gz SENXRBJMLYZPKI-ZJSXRUAMSA-N 2 1 390.527 3.821 20 0 GHADMP COc1cccc2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cccc12 ZINC001474020941 1074238556 /nfs/dbraw/zinc/23/85/56/1074238556.db2.gz SENXRBJMLYZPKI-ZJSXRUAMSA-N 2 1 390.527 3.821 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC001474028866 1074241501 /nfs/dbraw/zinc/24/15/01/1074241501.db2.gz QZAJTRACPQGHLB-HUUCEWRRSA-N 2 1 385.346 3.819 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cccc4n[nH]cc43)cc2)C[C@H]1C ZINC001474092648 1074261142 /nfs/dbraw/zinc/26/11/42/1074261142.db2.gz OPCJFNXFRCEMOS-KDURUIRLSA-N 2 1 392.547 3.862 20 0 GHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)C2)cc1 ZINC001474112593 1074267444 /nfs/dbraw/zinc/26/74/44/1074267444.db2.gz LNMJDPCDQBAWSW-KMDXXIMOSA-N 2 1 386.580 3.853 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)C2)cc1 ZINC001474112593 1074267448 /nfs/dbraw/zinc/26/74/48/1074267448.db2.gz LNMJDPCDQBAWSW-KMDXXIMOSA-N 2 1 386.580 3.853 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001474611657 1074484105 /nfs/dbraw/zinc/48/41/05/1074484105.db2.gz NKXYPAPZRVBGED-UHFFFAOYSA-N 2 1 375.557 3.603 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001474678663 1074510183 /nfs/dbraw/zinc/51/01/83/1074510183.db2.gz XDVMYUIIMTYDHX-QFIPXVFZSA-N 2 1 381.605 3.933 20 0 GHADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001474744993 1074542951 /nfs/dbraw/zinc/54/29/51/1074542951.db2.gz NSSKWROAOYEKLD-AWDZXFJFSA-N 2 1 379.548 3.912 20 0 GHADMP CCOc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001476042330 1075073674 /nfs/dbraw/zinc/07/36/74/1075073674.db2.gz IYHOVCVTIHKGIU-MRXNPFEDSA-N 2 1 396.963 3.619 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820709218 599367681 /nfs/dbraw/zinc/36/76/81/599367681.db2.gz GDFOQJSLCXILLH-QZTJIDSGSA-N 2 1 390.535 3.949 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4C[C@@H]5[NH2+]Cc6ccccc6[C@@H]5C4)ccc3C2)cc1 ZINC001164425886 718942061 /nfs/dbraw/zinc/94/20/61/718942061.db2.gz XQNWTOMKZKZXAS-ZCYQVOJMSA-N 2 1 396.538 3.716 20 0 GHADMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2c(Cl)cccc12 ZINC001164683679 719631316 /nfs/dbraw/zinc/63/13/16/719631316.db2.gz URTSVKUPXFBXII-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2c(Cl)cccc12 ZINC001164683679 719631322 /nfs/dbraw/zinc/63/13/22/719631322.db2.gz URTSVKUPXFBXII-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)nc1 ZINC001164876355 721327348 /nfs/dbraw/zinc/32/73/48/721327348.db2.gz PFXRVQVGRJODCM-LJQANCHMSA-N 2 1 385.556 3.653 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)nc1 ZINC001164876355 721327349 /nfs/dbraw/zinc/32/73/49/721327349.db2.gz PFXRVQVGRJODCM-LJQANCHMSA-N 2 1 385.556 3.653 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](C4CCCC4)CC3)c2c1C ZINC000045026689 721859927 /nfs/dbraw/zinc/85/99/27/721859927.db2.gz UKBRMGHCCFJVBX-UHFFFAOYSA-N 2 1 399.608 3.969 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NCCc1ccc(Cl)cc1 ZINC000057889145 837483450 /nfs/dbraw/zinc/48/34/50/837483450.db2.gz RRUJJZMBZCOJPB-UHFFFAOYSA-N 2 1 391.987 3.587 20 0 GHADMP Clc1ccccc1N1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655715009 837720634 /nfs/dbraw/zinc/72/06/34/837720634.db2.gz GBUFUQUEJFWRTL-RTBURBONSA-N 2 1 377.960 3.542 20 0 GHADMP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655725244 837746721 /nfs/dbraw/zinc/74/67/21/837746721.db2.gz PKFMPAXZUXOXJH-IEBWSBKVSA-N 2 1 378.582 3.656 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)c1 ZINC000173533774 837761702 /nfs/dbraw/zinc/76/17/02/837761702.db2.gz VMEZTMKUXIASLS-UHFFFAOYSA-N 2 1 399.560 3.905 20 0 GHADMP C[C@@H]1C[C@H](NCC2([NH+]3CCCCC3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000089595059 834594763 /nfs/dbraw/zinc/59/47/63/834594763.db2.gz OMCIHZJMYCXVCC-FYYLOGMGSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000090659943 834618548 /nfs/dbraw/zinc/61/85/48/834618548.db2.gz VIAHQUPOVJDPNI-NQIIRXRSSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000090659943 834618553 /nfs/dbraw/zinc/61/85/53/834618553.db2.gz VIAHQUPOVJDPNI-NQIIRXRSSA-N 2 1 376.504 3.922 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1OC ZINC000650722258 834688767 /nfs/dbraw/zinc/68/87/67/834688767.db2.gz OBCJWMUNZSBQPZ-SFHLNBCPSA-N 2 1 376.541 3.735 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000510057418 834737362 /nfs/dbraw/zinc/73/73/62/834737362.db2.gz QBFWJAMGGUSTCQ-QGZVFWFLSA-N 2 1 386.462 3.585 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000458801058 834757469 /nfs/dbraw/zinc/75/74/69/834757469.db2.gz WXYYXGGFEFUSAI-NYVOZVTQSA-N 2 1 388.600 3.756 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1c1ccccc1 ZINC000583645527 834807996 /nfs/dbraw/zinc/80/79/96/834807996.db2.gz ZZIBZDWMUSQFKW-ILBGXUMGSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1c1ccccc1 ZINC000583645527 834808003 /nfs/dbraw/zinc/80/80/03/834808003.db2.gz ZZIBZDWMUSQFKW-ILBGXUMGSA-N 3 1 393.575 3.568 20 0 GHADMP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1Cl ZINC000655751805 837815835 /nfs/dbraw/zinc/81/58/35/837815835.db2.gz GAHSLPWHXRGPNI-SJLPKXTDSA-N 2 1 398.378 3.805 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000510075394 834898583 /nfs/dbraw/zinc/89/85/83/834898583.db2.gz ZRJFIAAFMREYAN-UGKGYDQZSA-N 2 1 379.548 3.779 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1)CC1CC1 ZINC000536139634 835107005 /nfs/dbraw/zinc/10/70/05/835107005.db2.gz FKMUTYIOKWRQMW-UHFFFAOYSA-N 2 1 385.531 3.740 20 0 GHADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000685632368 835240382 /nfs/dbraw/zinc/24/03/82/835240382.db2.gz HRBYCSKUGDFXAS-OAQYLSRUSA-N 2 1 389.547 3.874 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc12 ZINC000657971427 835323742 /nfs/dbraw/zinc/32/37/42/835323742.db2.gz OCWREIJJUCAUFX-ACIOBRDBSA-N 2 1 389.547 3.667 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000151369014 835404893 /nfs/dbraw/zinc/40/48/93/835404893.db2.gz VJYHAOPGAUQRKB-ZIAGYGMSSA-N 2 1 375.340 3.586 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CC[NH+](C4CCOCC4)CC2)C3)cc1 ZINC000658071069 835410793 /nfs/dbraw/zinc/41/07/93/835410793.db2.gz SONWFIJKUITFJV-NQDVKAMUSA-N 3 1 397.607 3.663 20 0 GHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CC[NH+](C4CCOCC4)CC2)C3)cc1 ZINC000658071069 835410799 /nfs/dbraw/zinc/41/07/99/835410799.db2.gz SONWFIJKUITFJV-NQDVKAMUSA-N 2 1 397.607 3.663 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657819493 835466756 /nfs/dbraw/zinc/46/67/56/835466756.db2.gz WSGDLJDSCHZDBN-WMLDXEAASA-N 2 1 380.508 3.720 20 0 GHADMP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658140730 835467215 /nfs/dbraw/zinc/46/72/15/835467215.db2.gz QUYWMRLIFINCLD-JTHBVZDNSA-N 2 1 380.532 3.874 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000458775993 835474009 /nfs/dbraw/zinc/47/40/09/835474009.db2.gz AHUNAHHWEKPGOL-NRFANRHFSA-N 2 1 388.600 3.708 20 0 GHADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC(F)(F)CC1 ZINC000658321995 835573085 /nfs/dbraw/zinc/57/30/85/835573085.db2.gz YIBAJRFEHWIYFQ-AQNXPRMDSA-N 2 1 378.507 3.960 20 0 GHADMP OCC[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@H](CCO)C3)c2)C1 ZINC000649286764 835876227 /nfs/dbraw/zinc/87/62/27/835876227.db2.gz XQSMLXKOOHEFDL-OALUTQOASA-N 2 1 394.987 3.529 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2cccs2)C1)C1CC[NH+](C)CC1 ZINC000092594273 844117819 /nfs/dbraw/zinc/11/78/19/844117819.db2.gz NEAZOEKGLIQBMR-NRFANRHFSA-N 2 1 385.577 3.852 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@H](c2cccs2)C1)C1CC[NH+](C)CC1 ZINC000092594273 844117826 /nfs/dbraw/zinc/11/78/26/844117826.db2.gz NEAZOEKGLIQBMR-NRFANRHFSA-N 2 1 385.577 3.852 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000525709572 836118984 /nfs/dbraw/zinc/11/89/84/836118984.db2.gz PKYKJTZEFRZXKE-FXAWDEMLSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000525709572 836118987 /nfs/dbraw/zinc/11/89/87/836118987.db2.gz PKYKJTZEFRZXKE-FXAWDEMLSA-N 2 1 384.520 3.855 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000612407642 836175074 /nfs/dbraw/zinc/17/50/74/836175074.db2.gz WJITZGUMIPNKSE-PZJWPPBQSA-N 2 1 396.531 3.801 20 0 GHADMP CC1=C(c2ccco2)C[N@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000548929594 836201052 /nfs/dbraw/zinc/20/10/52/836201052.db2.gz AHIIEFSDPZCJBU-FPOVZHCZSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000548929594 836201056 /nfs/dbraw/zinc/20/10/56/836201056.db2.gz AHIIEFSDPZCJBU-FPOVZHCZSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548929594 836201058 /nfs/dbraw/zinc/20/10/58/836201058.db2.gz AHIIEFSDPZCJBU-FPOVZHCZSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548929594 836201064 /nfs/dbraw/zinc/20/10/64/836201064.db2.gz AHIIEFSDPZCJBU-FPOVZHCZSA-N 2 1 393.531 3.538 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1 ZINC000180640495 836235305 /nfs/dbraw/zinc/23/53/05/836235305.db2.gz OWCBQJGPQCREPF-YWZLYKJASA-N 2 1 389.337 3.867 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000570041827 836318626 /nfs/dbraw/zinc/31/86/26/836318626.db2.gz BLTFDDFNXDTSRV-XUVXKRRUSA-N 2 1 392.469 3.978 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000570041827 836318634 /nfs/dbraw/zinc/31/86/34/836318634.db2.gz BLTFDDFNXDTSRV-XUVXKRRUSA-N 2 1 392.469 3.978 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483716 844154234 /nfs/dbraw/zinc/15/42/34/844154234.db2.gz WFHZNZFAIKBUIO-DENIHFKCSA-N 2 1 377.532 3.814 20 0 GHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414180988 836415270 /nfs/dbraw/zinc/41/52/70/836415270.db2.gz MGKYJCFHRGZGNB-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP O=C(C[N@H+](Cc1ccco1)C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613469647 836455276 /nfs/dbraw/zinc/45/52/76/836455276.db2.gz OAMIRBFTKZZWBT-UHFFFAOYSA-N 2 1 395.547 3.936 20 0 GHADMP O=C(C[N@@H+](Cc1ccco1)C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613469647 836455283 /nfs/dbraw/zinc/45/52/83/836455283.db2.gz OAMIRBFTKZZWBT-UHFFFAOYSA-N 2 1 395.547 3.936 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000570247146 836596232 /nfs/dbraw/zinc/59/62/32/836596232.db2.gz GEFQQLPXWMJWCW-GOTSBHOMSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000570247146 836596235 /nfs/dbraw/zinc/59/62/35/836596235.db2.gz GEFQQLPXWMJWCW-GOTSBHOMSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000570247146 836596242 /nfs/dbraw/zinc/59/62/42/836596242.db2.gz GEFQQLPXWMJWCW-GOTSBHOMSA-N 2 1 397.607 3.725 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431689753 836840528 /nfs/dbraw/zinc/84/05/28/836840528.db2.gz ZTSUCZQXAPSXLK-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431697900 836907394 /nfs/dbraw/zinc/90/73/94/836907394.db2.gz JYEOXVAGTVSBJU-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000431697900 836907401 /nfs/dbraw/zinc/90/74/01/836907401.db2.gz JYEOXVAGTVSBJU-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000431697900 836907410 /nfs/dbraw/zinc/90/74/10/836907410.db2.gz JYEOXVAGTVSBJU-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000511394150 836927406 /nfs/dbraw/zinc/92/74/06/836927406.db2.gz BECRSWVLEUZEEV-QIJUGHKUSA-N 2 1 394.003 3.956 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC001266470583 837115622 /nfs/dbraw/zinc/11/56/22/837115622.db2.gz SWJFDLPZXRZMKD-HSZRJFAPSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC3 ZINC000120645804 837118538 /nfs/dbraw/zinc/11/85/38/837118538.db2.gz VHJIHIIJTHXDQM-RTWAWAEBSA-N 2 1 389.543 3.690 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685848022 837269913 /nfs/dbraw/zinc/26/99/13/837269913.db2.gz OGSBCGRTGJZFBI-PZSQYBTKSA-N 2 1 393.522 3.792 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659022908 837274345 /nfs/dbraw/zinc/27/43/45/837274345.db2.gz XRPGIHSHXJBZJI-FQEVSTJZSA-N 2 1 378.520 3.569 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894166336 844269728 /nfs/dbraw/zinc/26/97/28/844269728.db2.gz XHHRJLNVODLPTF-UXDRXVOSSA-N 2 1 376.545 3.595 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(CC(F)(F)F)s3)c2)CCO1 ZINC000892677285 838256183 /nfs/dbraw/zinc/25/61/83/838256183.db2.gz YMWGVPJCKRDFGN-AWEZNQCLSA-N 2 1 399.482 3.758 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(CC(F)(F)F)s3)c2)CCO1 ZINC000892677285 838256189 /nfs/dbraw/zinc/25/61/89/838256189.db2.gz YMWGVPJCKRDFGN-AWEZNQCLSA-N 2 1 399.482 3.758 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1Br ZINC000659314559 838280894 /nfs/dbraw/zinc/28/08/94/838280894.db2.gz KPBOORGKIBZCFK-GOSISDBHSA-N 2 1 388.309 3.684 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC ZINC000415950205 838305449 /nfs/dbraw/zinc/30/54/49/838305449.db2.gz GVAXGFLECLUYQE-OAQYLSRUSA-N 2 1 395.551 3.710 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415962215 838320512 /nfs/dbraw/zinc/32/05/12/838320512.db2.gz WVENNBQEOBBENX-IBGZPJMESA-N 2 1 380.536 3.924 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000415963787 838323695 /nfs/dbraw/zinc/32/36/95/838323695.db2.gz YRYUTIGFHYMMPE-UHFFFAOYSA-N 2 1 380.536 3.924 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415979568 838346205 /nfs/dbraw/zinc/34/62/05/838346205.db2.gz DJVPOXWYZASBJP-NRFANRHFSA-N 2 1 380.536 3.830 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415994869 838372377 /nfs/dbraw/zinc/37/23/77/838372377.db2.gz JADRAOOLIOESRV-LJQANCHMSA-N 2 1 378.520 3.666 20 0 GHADMP C[C@H]1C[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000275687249 838419797 /nfs/dbraw/zinc/41/97/97/838419797.db2.gz QWRJFUAVNOEJTE-SIKLNZKXSA-N 2 1 394.563 3.965 20 0 GHADMP CC1(C)Cc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)ccc2O1 ZINC000180986160 838693752 /nfs/dbraw/zinc/69/37/52/838693752.db2.gz QFRGHFWWRXAPLF-QFIPXVFZSA-N 2 1 380.532 3.647 20 0 GHADMP C[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659973115 839030725 /nfs/dbraw/zinc/03/07/25/839030725.db2.gz MCDGDYCNDNTVLC-UGKGYDQZSA-N 2 1 395.572 3.943 20 0 GHADMP C[NH+](CC[C@@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659973115 839030736 /nfs/dbraw/zinc/03/07/36/839030736.db2.gz MCDGDYCNDNTVLC-UGKGYDQZSA-N 2 1 395.572 3.943 20 0 GHADMP C[NH+](CC[C@@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659973115 839030746 /nfs/dbraw/zinc/03/07/46/839030746.db2.gz MCDGDYCNDNTVLC-UGKGYDQZSA-N 2 1 395.572 3.943 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415036255 839084771 /nfs/dbraw/zinc/08/47/71/839084771.db2.gz FODHBYHDECWBTM-QUCCMNQESA-N 2 1 392.469 3.914 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415036255 839084775 /nfs/dbraw/zinc/08/47/75/839084775.db2.gz FODHBYHDECWBTM-QUCCMNQESA-N 2 1 392.469 3.914 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163917 839105174 /nfs/dbraw/zinc/10/51/74/839105174.db2.gz AMURWJHHYJSXDX-GGAORHGYSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163917 839105184 /nfs/dbraw/zinc/10/51/84/839105184.db2.gz AMURWJHHYJSXDX-GGAORHGYSA-N 2 1 382.548 3.625 20 0 GHADMP Clc1ccccc1Cn1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(-c2ccccc2)n1 ZINC000415047450 839127092 /nfs/dbraw/zinc/12/70/92/839127092.db2.gz YRZJNTPYMHIRIV-NGRWLJPCSA-N 2 1 378.907 3.559 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000415100035 839203984 /nfs/dbraw/zinc/20/39/84/839203984.db2.gz ABMWWAGNMNIIFN-DLBZAZTESA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCCO1 ZINC000415108164 839218808 /nfs/dbraw/zinc/21/88/08/839218808.db2.gz LUKYEYPIBBDRCK-NRFANRHFSA-N 2 1 396.922 3.742 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCCO1 ZINC000415108164 839218817 /nfs/dbraw/zinc/21/88/17/839218817.db2.gz LUKYEYPIBBDRCK-NRFANRHFSA-N 2 1 396.922 3.742 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)c(Br)c3)CC2)C1 ZINC000415130736 839258646 /nfs/dbraw/zinc/25/86/46/839258646.db2.gz XMKCLRXDGFQUGA-PBHICJAKSA-N 2 1 387.749 3.821 20 0 GHADMP Cc1nc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)sc1C ZINC000892861887 839264403 /nfs/dbraw/zinc/26/44/03/839264403.db2.gz QGQYUXGGQMYUDX-UHFFFAOYSA-N 2 1 389.565 3.539 20 0 GHADMP Cc1nc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)sc1C ZINC000892861887 839264415 /nfs/dbraw/zinc/26/44/15/839264415.db2.gz QGQYUXGGQMYUDX-UHFFFAOYSA-N 2 1 389.565 3.539 20 0 GHADMP Cc1nc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)sc1C ZINC000892861887 839264420 /nfs/dbraw/zinc/26/44/20/839264420.db2.gz QGQYUXGGQMYUDX-UHFFFAOYSA-N 2 1 389.565 3.539 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000160474846 839397508 /nfs/dbraw/zinc/39/75/08/839397508.db2.gz SQSWCJLAJIKNCK-LPHOPBHVSA-N 2 1 399.539 3.843 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000377540794 839704387 /nfs/dbraw/zinc/70/43/87/839704387.db2.gz JYRKFWCDMFAJIR-INIZCTEOSA-N 2 1 379.570 3.665 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000377540794 839704398 /nfs/dbraw/zinc/70/43/98/839704398.db2.gz JYRKFWCDMFAJIR-INIZCTEOSA-N 2 1 379.570 3.665 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)CCC[NH3+])cc1)C[C@H]1CCCCO1 ZINC000415405138 839716146 /nfs/dbraw/zinc/71/61/46/839716146.db2.gz MPNTVOGRYDHBAK-GHTZIAJQSA-N 2 1 390.572 3.715 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(C)C)cc1Cl ZINC000644523965 839773230 /nfs/dbraw/zinc/77/32/30/839773230.db2.gz CZYWOYWTXWIMGV-RCCFBDPRSA-N 2 1 380.960 3.728 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)s2)cc1C ZINC000656255764 839853959 /nfs/dbraw/zinc/85/39/59/839853959.db2.gz OYHWUOKMWJUDPN-DENIHFKCSA-N 2 1 398.620 3.885 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)s2)cc1C ZINC000656255764 839853965 /nfs/dbraw/zinc/85/39/65/839853965.db2.gz OYHWUOKMWJUDPN-DENIHFKCSA-N 2 1 398.620 3.885 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000047970274 839902165 /nfs/dbraw/zinc/90/21/65/839902165.db2.gz WDBMDXXPQOPQHU-IBGZPJMESA-N 2 1 379.548 3.825 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000418455967 840260442 /nfs/dbraw/zinc/26/04/42/840260442.db2.gz FHMBEKDEJOOKGJ-SFHVURJKSA-N 2 1 380.536 3.512 20 0 GHADMP Cc1ccc2cc[nH+]c(NCc3cccc(C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)c2c1 ZINC000580830487 840301209 /nfs/dbraw/zinc/30/12/09/840301209.db2.gz DQUJAPQWJYCCAD-NRFANRHFSA-N 2 1 388.515 3.853 20 0 GHADMP Cc1ccc2cc[nH+]c(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)c2c1 ZINC000580830487 840301220 /nfs/dbraw/zinc/30/12/20/840301220.db2.gz DQUJAPQWJYCCAD-NRFANRHFSA-N 2 1 388.515 3.853 20 0 GHADMP CC[NH2+]CC1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000416976148 840319340 /nfs/dbraw/zinc/31/93/40/840319340.db2.gz NZXOQRLYELJWTB-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000416977381 840321157 /nfs/dbraw/zinc/32/11/57/840321157.db2.gz PLFJCOQLWBABPH-UEVCKROQSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418493307 840326976 /nfs/dbraw/zinc/32/69/76/840326976.db2.gz QMKMGIIBQVHWML-FHWLQOOXSA-N 2 1 380.536 3.511 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC4(CC[NH2+]CC4)CC3)cc2)C1 ZINC000416974071 840330316 /nfs/dbraw/zinc/33/03/16/840330316.db2.gz WDIXAFWCXVTVDZ-HXUWFJFHSA-N 2 1 398.595 3.594 20 0 GHADMP COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C)cc(C[NH3+])c3)CC[N@H+]2C2CC2)c1 ZINC000580887753 840380755 /nfs/dbraw/zinc/38/07/55/840380755.db2.gz LYPVFFOWZBMWTO-YADHBBJMSA-N 2 1 394.519 3.562 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660437538 840387983 /nfs/dbraw/zinc/38/79/83/840387983.db2.gz ZKXRYKMHBIFXNF-GOSISDBHSA-N 2 1 386.584 3.684 20 0 GHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c1 ZINC000614090997 844535540 /nfs/dbraw/zinc/53/55/40/844535540.db2.gz BPTJRCFCZHDLEB-PKTZIBPZSA-N 2 1 395.522 3.577 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c1 ZINC000614090997 844535549 /nfs/dbraw/zinc/53/55/49/844535549.db2.gz BPTJRCFCZHDLEB-PKTZIBPZSA-N 2 1 395.522 3.577 20 0 GHADMP CC(C)(CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000417084497 840442647 /nfs/dbraw/zinc/44/26/47/840442647.db2.gz ANWCEYJTOOGUHV-JOCHJYFZSA-N 2 1 394.563 3.603 20 0 GHADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc(Br)c1O ZINC000511682430 840508181 /nfs/dbraw/zinc/50/81/81/840508181.db2.gz SQQVXVCWGRZBDC-CQSZACIVSA-N 2 1 385.346 3.908 20 0 GHADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc(Br)c1O ZINC000511682430 840508189 /nfs/dbraw/zinc/50/81/89/840508189.db2.gz SQQVXVCWGRZBDC-CQSZACIVSA-N 2 1 385.346 3.908 20 0 GHADMP CC1(C)CN([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(Cl)cc2)CCO1 ZINC000246182093 844546621 /nfs/dbraw/zinc/54/66/21/844546621.db2.gz DDEHFEZIJHVOAO-PWRODBHTSA-N 2 1 391.987 3.708 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000417224637 840602738 /nfs/dbraw/zinc/60/27/38/840602738.db2.gz RSAOIOHDPYPERP-QHCPKHFHSA-N 2 1 386.584 3.640 20 0 GHADMP C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548153851 840664761 /nfs/dbraw/zinc/66/47/61/840664761.db2.gz XCKHPCXOWADJSU-KNQAVFIVSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000581094693 840692230 /nfs/dbraw/zinc/69/22/30/840692230.db2.gz PNQPQLFQFPFIBK-OAHLLOKOSA-N 2 1 379.451 3.783 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000581125953 840754224 /nfs/dbraw/zinc/75/42/24/840754224.db2.gz PMWICZZUGBDMHB-INIZCTEOSA-N 2 1 384.549 3.521 20 0 GHADMP CC[N@@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581130460 840765729 /nfs/dbraw/zinc/76/57/29/840765729.db2.gz RUDMXWQEVPNKFI-XMFAPTILSA-N 2 1 393.934 3.651 20 0 GHADMP CC[N@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581130460 840765734 /nfs/dbraw/zinc/76/57/34/840765734.db2.gz RUDMXWQEVPNKFI-XMFAPTILSA-N 2 1 393.934 3.651 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1F ZINC000067121792 840966448 /nfs/dbraw/zinc/96/64/48/840966448.db2.gz PTIZCNHZASBLJB-UHFFFAOYSA-N 2 1 386.511 3.914 20 0 GHADMP C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000364145168 840983832 /nfs/dbraw/zinc/98/38/32/840983832.db2.gz MMAVKOKHPFIWRS-IBGZPJMESA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000584827121 840994864 /nfs/dbraw/zinc/99/48/64/840994864.db2.gz HBKNOQJFPCLWPW-QFBILLFUSA-N 2 1 396.510 3.646 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(F)cc2I)CC1 ZINC000417729810 841171150 /nfs/dbraw/zinc/17/11/50/841171150.db2.gz CTNVPOJZVWMNFY-UHFFFAOYSA-N 2 1 390.284 3.594 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1Sc2ccccc2NC1=O ZINC000660307440 841259646 /nfs/dbraw/zinc/25/96/46/841259646.db2.gz XXDUGHOJWJDERP-JUXOCIIHSA-N 2 1 395.572 3.990 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC000631112210 841271443 /nfs/dbraw/zinc/27/14/43/841271443.db2.gz YPGZRPSWIYAAOX-HXUWFJFHSA-N 2 1 378.438 3.648 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000661005481 841329596 /nfs/dbraw/zinc/32/95/96/841329596.db2.gz ZUUBLNPGYZFKMQ-BVSLBCMMSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661005481 841329605 /nfs/dbraw/zinc/32/96/05/841329605.db2.gz ZUUBLNPGYZFKMQ-BVSLBCMMSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661005481 841329614 /nfs/dbraw/zinc/32/96/14/841329614.db2.gz ZUUBLNPGYZFKMQ-BVSLBCMMSA-N 2 1 398.595 3.603 20 0 GHADMP C[N@@H+](CCN1CC[NH+](CCSC2CCCCC2)CC1)Cc1ccccc1 ZINC000500073954 841381315 /nfs/dbraw/zinc/38/13/15/841381315.db2.gz LFVNBQLNRKLZNN-UHFFFAOYSA-N 2 1 375.626 3.802 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044932489 841534643 /nfs/dbraw/zinc/53/46/43/841534643.db2.gz LSDPDPJGTAYEOQ-UHFFFAOYSA-N 2 1 388.515 3.709 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000581517175 841576783 /nfs/dbraw/zinc/57/67/83/841576783.db2.gz RTEXOCLUQGGHJK-WMQCIHAUSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000581517175 841576796 /nfs/dbraw/zinc/57/67/96/841576796.db2.gz RTEXOCLUQGGHJK-WMQCIHAUSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000581517175 841576809 /nfs/dbraw/zinc/57/68/09/841576809.db2.gz RTEXOCLUQGGHJK-WMQCIHAUSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000581517175 841576816 /nfs/dbraw/zinc/57/68/16/841576816.db2.gz RTEXOCLUQGGHJK-WMQCIHAUSA-N 2 1 390.568 3.540 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000056792176 841581563 /nfs/dbraw/zinc/58/15/63/841581563.db2.gz RDXPMAHGDSVQBP-HXUWFJFHSA-N 2 1 390.572 3.568 20 0 GHADMP OC[C@@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCc2ccccc21 ZINC000651883173 841787629 /nfs/dbraw/zinc/78/76/29/841787629.db2.gz YXJNOAMFTZIOKJ-VWNXMTODSA-N 2 1 376.544 3.650 20 0 GHADMP OC[C@@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCc2ccccc21 ZINC000651883173 841787639 /nfs/dbraw/zinc/78/76/39/841787639.db2.gz YXJNOAMFTZIOKJ-VWNXMTODSA-N 2 1 376.544 3.650 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000661542201 841869055 /nfs/dbraw/zinc/86/90/55/841869055.db2.gz WHPKRASQRHBDMW-UHFFFAOYSA-N 2 1 384.593 3.584 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000390557223 841884911 /nfs/dbraw/zinc/88/49/11/841884911.db2.gz LTOVUYWFHWMZLR-LJQANCHMSA-N 2 1 383.502 3.903 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000390557223 841884919 /nfs/dbraw/zinc/88/49/19/841884919.db2.gz LTOVUYWFHWMZLR-LJQANCHMSA-N 2 1 383.502 3.903 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000276487014 842004312 /nfs/dbraw/zinc/00/43/12/842004312.db2.gz GZAKICAMYLHWKO-SJLPKXTDSA-N 2 1 387.549 3.505 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001167823937 842012951 /nfs/dbraw/zinc/01/29/51/842012951.db2.gz FXZFKRVGJSXGPW-DVECYGJZSA-N 2 1 383.580 3.897 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001167825765 842049898 /nfs/dbraw/zinc/04/98/98/842049898.db2.gz TXINHZDOBVIZAE-QTJGBDASSA-N 2 1 387.612 3.515 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000581714420 842084963 /nfs/dbraw/zinc/08/49/63/842084963.db2.gz DTLSWBYVBOBCRI-GHTZIAJQSA-N 2 1 392.547 3.849 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)Cc2cnn(CC3CC3)c21 ZINC001167828440 842117456 /nfs/dbraw/zinc/11/74/56/842117456.db2.gz YLOIDZZWSZJTAY-WIYYLYMNSA-N 2 1 376.589 3.739 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H](C)O[C@@H](C)C2)cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000661853741 842236549 /nfs/dbraw/zinc/23/65/49/842236549.db2.gz WPDSTIKSHPLTEP-ZRNYENFQSA-N 2 1 390.568 3.694 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000796678019 842307744 /nfs/dbraw/zinc/30/77/44/842307744.db2.gz GMLXUEIVQMSZGN-DFQSSKMNSA-N 2 1 397.604 3.549 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001167838439 842332228 /nfs/dbraw/zinc/33/22/28/842332228.db2.gz UOJNZJADUMMMDZ-CEMLEFRQSA-N 2 1 387.568 3.982 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C1COC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167838153 842336460 /nfs/dbraw/zinc/33/64/60/842336460.db2.gz QVBLJPBLFLSKJM-GOSISDBHSA-N 2 1 397.604 3.597 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H]1CC[NH3+] ZINC000652355947 842354760 /nfs/dbraw/zinc/35/47/60/842354760.db2.gz NTHUWQPSQTXODY-KSSFIOAISA-N 2 1 389.341 3.855 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCCO1 ZINC000432410708 842404105 /nfs/dbraw/zinc/40/41/05/842404105.db2.gz QYNSVDZIHAPXNH-FZKQIMNGSA-N 2 1 385.321 3.666 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCCO1 ZINC000432410708 842404114 /nfs/dbraw/zinc/40/41/14/842404114.db2.gz QYNSVDZIHAPXNH-FZKQIMNGSA-N 2 1 385.321 3.666 20 0 GHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432418039 842437237 /nfs/dbraw/zinc/43/72/37/842437237.db2.gz YDKWAEHZKAYJMO-OALUTQOASA-N 2 1 375.557 3.618 20 0 GHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432418039 842437242 /nfs/dbraw/zinc/43/72/42/842437242.db2.gz YDKWAEHZKAYJMO-OALUTQOASA-N 2 1 375.557 3.618 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)o1 ZINC000606208461 842526840 /nfs/dbraw/zinc/52/68/40/842526840.db2.gz FKOMKKZPVPZIPO-HDICACEKSA-N 2 1 399.535 3.983 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)o1 ZINC000606208461 842526844 /nfs/dbraw/zinc/52/68/44/842526844.db2.gz FKOMKKZPVPZIPO-HDICACEKSA-N 2 1 399.535 3.983 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512117623 842549807 /nfs/dbraw/zinc/54/98/07/842549807.db2.gz XZVDYMCZXVIDFD-GHRIWEEISA-N 2 1 380.536 3.902 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000581931214 842736185 /nfs/dbraw/zinc/73/61/85/842736185.db2.gz VZQZJIBFSKTUKQ-WSTZPKSXSA-N 2 1 381.524 3.564 20 0 GHADMP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512183635 842817332 /nfs/dbraw/zinc/81/73/32/842817332.db2.gz VGVSIADDSQFIHJ-NRFANRHFSA-N 2 1 388.552 3.572 20 0 GHADMP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512183635 842817341 /nfs/dbraw/zinc/81/73/41/842817341.db2.gz VGVSIADDSQFIHJ-NRFANRHFSA-N 2 1 388.552 3.572 20 0 GHADMP CCC(CC)(CNC(=O)[C@H]([NH3+])c1ccccc1OC)[NH2+][C@@H](C)c1ccccc1 ZINC000430724529 842902313 /nfs/dbraw/zinc/90/23/13/842902313.db2.gz NVAKPZUXHNKPNT-LAUBAEHRSA-N 2 1 383.536 3.721 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430778205 842968597 /nfs/dbraw/zinc/96/85/97/842968597.db2.gz PMAXFVDQWHJTIV-FUHWJXTLSA-N 2 1 397.485 3.866 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1)Nc1cccc(F)c1 ZINC000662255647 843025771 /nfs/dbraw/zinc/02/57/71/843025771.db2.gz ZOJWVRLMCIQXAU-KRWDZBQOSA-N 2 1 396.510 3.505 20 0 GHADMP O=C(Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1)Nc1ccccc1 ZINC000662290985 843081199 /nfs/dbraw/zinc/08/11/99/843081199.db2.gz ATMDRCMZOGVIMP-GOSISDBHSA-N 2 1 398.576 3.536 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294094 843085068 /nfs/dbraw/zinc/08/50/68/843085068.db2.gz AWNVXCUWRRYYSD-BXWFABGCSA-N 2 1 377.960 3.617 20 0 GHADMP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(OC)c1OC ZINC000279511022 843095637 /nfs/dbraw/zinc/09/56/37/843095637.db2.gz XHILFYZCGMQPEI-UHFFFAOYSA-N 2 1 385.508 3.625 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)CCO1 ZINC000662315230 843128088 /nfs/dbraw/zinc/12/80/88/843128088.db2.gz CVGBXXYLLBXNHD-QHCPKHFHSA-N 2 1 382.548 3.835 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CCO1 ZINC000662315230 843128095 /nfs/dbraw/zinc/12/80/95/843128095.db2.gz CVGBXXYLLBXNHD-QHCPKHFHSA-N 2 1 382.548 3.835 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C(C)C)cc1Cl ZINC000555598465 861382264 /nfs/dbraw/zinc/38/22/64/861382264.db2.gz VIWSWPMWQCMQBL-PGRDOPGGSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C(C)C)cc1Cl ZINC000555598465 861382277 /nfs/dbraw/zinc/38/22/77/861382277.db2.gz VIWSWPMWQCMQBL-PGRDOPGGSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C(C)C)cc1Cl ZINC000555598465 861382286 /nfs/dbraw/zinc/38/22/86/861382286.db2.gz VIWSWPMWQCMQBL-PGRDOPGGSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C(C)C)cc1Cl ZINC000555598465 861382299 /nfs/dbraw/zinc/38/22/99/861382299.db2.gz VIWSWPMWQCMQBL-PGRDOPGGSA-N 2 1 394.987 3.929 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])c2ccccc2Br)c1 ZINC000662379896 843179024 /nfs/dbraw/zinc/17/90/24/843179024.db2.gz FRFAXLGPRLHHKU-GOSISDBHSA-N 2 1 390.325 3.929 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCC[C@H]1CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000510676854 843182604 /nfs/dbraw/zinc/18/26/04/843182604.db2.gz AWXMTJAPEAPCGN-QHCPKHFHSA-N 2 1 384.612 3.667 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000510676854 843182606 /nfs/dbraw/zinc/18/26/06/843182606.db2.gz AWXMTJAPEAPCGN-QHCPKHFHSA-N 2 1 384.612 3.667 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000662425470 843218498 /nfs/dbraw/zinc/21/84/98/843218498.db2.gz CLLHKYOANQBXGY-PXNSSMCTSA-N 2 1 397.588 3.769 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000512263069 843252981 /nfs/dbraw/zinc/25/29/81/843252981.db2.gz SKLOAQGOBHLWCA-NRFANRHFSA-N 2 1 375.557 3.856 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000512263072 843253305 /nfs/dbraw/zinc/25/33/05/843253305.db2.gz SKLOAQGOBHLWCA-OAQYLSRUSA-N 2 1 375.557 3.856 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@@H](C)O1 ZINC000512278809 843309546 /nfs/dbraw/zinc/30/95/46/843309546.db2.gz KVGSBWSVORNQDD-RHXAMEDASA-N 3 1 399.623 3.766 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC000662478933 843314269 /nfs/dbraw/zinc/31/42/69/843314269.db2.gz XKOQDJRMJCIIPD-KDOFPFPSSA-N 2 1 384.351 3.588 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512326523 843382229 /nfs/dbraw/zinc/38/22/29/843382229.db2.gz RVOITMNNDMEWQG-UNWVZKJWSA-N 2 1 379.548 3.706 20 0 GHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)c1 ZINC000431034700 843480372 /nfs/dbraw/zinc/48/03/72/843480372.db2.gz ZABOLOITSAHYQK-UHFFFAOYSA-N 2 1 398.576 3.517 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535659176 843504663 /nfs/dbraw/zinc/50/46/63/843504663.db2.gz MVKOWECSCVRFPK-JRGCBEDISA-N 2 1 389.971 3.856 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535659176 843504673 /nfs/dbraw/zinc/50/46/73/843504673.db2.gz MVKOWECSCVRFPK-JRGCBEDISA-N 2 1 389.971 3.856 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535659176 843504678 /nfs/dbraw/zinc/50/46/78/843504678.db2.gz MVKOWECSCVRFPK-JRGCBEDISA-N 2 1 389.971 3.856 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000535659176 843504684 /nfs/dbraw/zinc/50/46/84/843504684.db2.gz MVKOWECSCVRFPK-JRGCBEDISA-N 2 1 389.971 3.856 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000512350855 843511259 /nfs/dbraw/zinc/51/12/59/843511259.db2.gz WTDPNOKAMVSNTO-FECOFQHFSA-N 2 1 394.559 3.983 20 0 GHADMP CC1CC[NH+](CCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000510806887 843515551 /nfs/dbraw/zinc/51/55/51/843515551.db2.gz QOPKSJDWPPLVPU-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP CCC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C1CC[NH2+]CC1 ZINC000431074043 843548938 /nfs/dbraw/zinc/54/89/38/843548938.db2.gz PCMJHEYSXJQQMC-QFIPXVFZSA-N 2 1 375.532 3.637 20 0 GHADMP CCC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C1CC[NH2+]CC1 ZINC000431074043 843548948 /nfs/dbraw/zinc/54/89/48/843548948.db2.gz PCMJHEYSXJQQMC-QFIPXVFZSA-N 2 1 375.532 3.637 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000512393098 843626513 /nfs/dbraw/zinc/62/65/13/843626513.db2.gz NUWKUQMDODMKHC-SNJCGAMXSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512393098 843626515 /nfs/dbraw/zinc/62/65/15/843626515.db2.gz NUWKUQMDODMKHC-SNJCGAMXSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512393098 843626518 /nfs/dbraw/zinc/62/65/18/843626518.db2.gz NUWKUQMDODMKHC-SNJCGAMXSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000178962877 861443721 /nfs/dbraw/zinc/44/37/21/861443721.db2.gz RRFZZWBAMUHPEZ-YJJAZYOBSA-N 2 1 397.485 3.889 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001167821222 843694020 /nfs/dbraw/zinc/69/40/20/843694020.db2.gz DJPUOJXAASVXRH-CWKRKGSWSA-N 2 1 389.584 3.731 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001167822574 843731881 /nfs/dbraw/zinc/73/18/81/843731881.db2.gz IRLPMTJVZAXTLT-LUKWVAJMSA-N 2 1 389.632 3.567 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001167822574 843731893 /nfs/dbraw/zinc/73/18/93/843731893.db2.gz IRLPMTJVZAXTLT-LUKWVAJMSA-N 3 1 389.632 3.567 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001167822574 843731902 /nfs/dbraw/zinc/73/19/02/843731902.db2.gz IRLPMTJVZAXTLT-LUKWVAJMSA-N 3 1 389.632 3.567 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001167822574 843731913 /nfs/dbraw/zinc/73/19/13/843731913.db2.gz IRLPMTJVZAXTLT-LUKWVAJMSA-N 3 1 389.632 3.567 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001167822574 843731922 /nfs/dbraw/zinc/73/19/22/843731922.db2.gz IRLPMTJVZAXTLT-LUKWVAJMSA-N 3 1 389.632 3.567 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512418981 843746656 /nfs/dbraw/zinc/74/66/56/843746656.db2.gz UJBRIQUWWUYKNL-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP CCc1cccc(OCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512443455 843818285 /nfs/dbraw/zinc/81/82/85/843818285.db2.gz CIHQJYUUBFQBMX-DEOSSOPVSA-N 2 1 393.575 3.520 20 0 GHADMP CCc1cccc(OCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512443455 843818291 /nfs/dbraw/zinc/81/82/91/843818291.db2.gz CIHQJYUUBFQBMX-DEOSSOPVSA-N 2 1 393.575 3.520 20 0 GHADMP COC(=O)c1cc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000433199829 843823397 /nfs/dbraw/zinc/82/33/97/843823397.db2.gz MXRAGOYNCLXOJI-PWIZWCRZSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000433199829 843823401 /nfs/dbraw/zinc/82/34/01/843823401.db2.gz MXRAGOYNCLXOJI-PWIZWCRZSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000433199829 843823411 /nfs/dbraw/zinc/82/34/11/843823411.db2.gz MXRAGOYNCLXOJI-PWIZWCRZSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)oc1C ZINC000433199829 843823423 /nfs/dbraw/zinc/82/34/23/843823423.db2.gz MXRAGOYNCLXOJI-PWIZWCRZSA-N 2 1 382.504 3.890 20 0 GHADMP Clc1ccccc1CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512450390 843832917 /nfs/dbraw/zinc/83/29/17/843832917.db2.gz RVULLAZGDGJBJZ-QFIPXVFZSA-N 2 1 383.967 3.775 20 0 GHADMP Clc1ccccc1CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512450390 843832921 /nfs/dbraw/zinc/83/29/21/843832921.db2.gz RVULLAZGDGJBJZ-QFIPXVFZSA-N 2 1 383.967 3.775 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000236621433 843863226 /nfs/dbraw/zinc/86/32/26/843863226.db2.gz YVUIPQFDKIZHNG-UHFFFAOYSA-N 2 1 375.520 3.897 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500719481 843881774 /nfs/dbraw/zinc/88/17/74/843881774.db2.gz ZYZTYQKEWIZYED-UGKGYDQZSA-N 2 1 386.584 3.585 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000180995782 844678140 /nfs/dbraw/zinc/67/81/40/844678140.db2.gz WGBFEJANHDDVIZ-OAQYLSRUSA-N 2 1 380.463 3.942 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000180995782 844678152 /nfs/dbraw/zinc/67/81/52/844678152.db2.gz WGBFEJANHDDVIZ-OAQYLSRUSA-N 2 1 380.463 3.942 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000512650063 844885637 /nfs/dbraw/zinc/88/56/37/844885637.db2.gz WUTFAZFWXFAVCJ-MLCQCVOFSA-N 2 1 384.564 3.605 20 0 GHADMP O[C@@H](CCc1ccccc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433068334 845154963 /nfs/dbraw/zinc/15/49/63/845154963.db2.gz OSCJYBZERNRTLQ-DEOSSOPVSA-N 2 1 378.560 3.968 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664009858 845349791 /nfs/dbraw/zinc/34/97/91/845349791.db2.gz PCRIQLHNTRUJDT-UHFFFAOYSA-N 2 1 390.325 3.688 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664009858 845349812 /nfs/dbraw/zinc/34/98/12/845349812.db2.gz PCRIQLHNTRUJDT-UHFFFAOYSA-N 2 1 390.325 3.688 20 0 GHADMP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389891 861559170 /nfs/dbraw/zinc/55/91/70/861559170.db2.gz WVGIXFSLVMIQTD-HXUWFJFHSA-N 2 1 394.563 3.667 20 0 GHADMP C[N@H+](CCC(=O)Nc1ccc(F)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390502 861560853 /nfs/dbraw/zinc/56/08/53/861560853.db2.gz WZWDCLJSZSAVRU-UHFFFAOYSA-N 2 1 384.499 3.788 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000684663529 845521360 /nfs/dbraw/zinc/52/13/60/845521360.db2.gz WJGGCZXDJQKTKP-NRFANRHFSA-N 2 1 390.531 3.883 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684663529 845521368 /nfs/dbraw/zinc/52/13/68/845521368.db2.gz WJGGCZXDJQKTKP-NRFANRHFSA-N 2 1 390.531 3.883 20 0 GHADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000513538132 845611852 /nfs/dbraw/zinc/61/18/52/845611852.db2.gz HLHDDPGQHLWNSN-NFBKMPQASA-N 2 1 389.547 3.966 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433964318 845675372 /nfs/dbraw/zinc/67/53/72/845675372.db2.gz IOMRIVNLYSHJHE-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433964318 845675376 /nfs/dbraw/zinc/67/53/76/845675376.db2.gz IOMRIVNLYSHJHE-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433964318 845675380 /nfs/dbraw/zinc/67/53/80/845675380.db2.gz IOMRIVNLYSHJHE-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)o1 ZINC000673754051 861594422 /nfs/dbraw/zinc/59/44/22/861594422.db2.gz UXJTZTYISQDXTG-LJQANCHMSA-N 2 1 383.536 3.858 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472080366 845731048 /nfs/dbraw/zinc/73/10/48/845731048.db2.gz NYHMCNRGZPOUDY-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472080366 845731056 /nfs/dbraw/zinc/73/10/56/845731056.db2.gz NYHMCNRGZPOUDY-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)s1 ZINC000156902159 845761748 /nfs/dbraw/zinc/76/17/48/845761748.db2.gz NTJQACZLIAMLDA-PBHICJAKSA-N 2 1 391.968 3.950 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156966713 845778050 /nfs/dbraw/zinc/77/80/50/845778050.db2.gz RWQXRTLXTRKQAZ-AVRDEDQJSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(C(F)(F)F)cnn3C)cc2)C1 ZINC000657309179 845956924 /nfs/dbraw/zinc/95/69/24/845956924.db2.gz AZSWXHKUJJJVND-HNNXBMFYSA-N 2 1 380.458 3.961 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657310024 845979600 /nfs/dbraw/zinc/97/96/00/845979600.db2.gz JWNHRMJWXOWIFG-LJQANCHMSA-N 3 1 375.520 3.932 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccnn2-c2ccncc2)cc1 ZINC000657310024 845979604 /nfs/dbraw/zinc/97/96/04/845979604.db2.gz JWNHRMJWXOWIFG-LJQANCHMSA-N 2 1 375.520 3.932 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2-c2ccncc2)cc1 ZINC000657310024 845979612 /nfs/dbraw/zinc/97/96/12/845979612.db2.gz JWNHRMJWXOWIFG-LJQANCHMSA-N 2 1 375.520 3.932 20 0 GHADMP c1cc(C[N@H+]2CCOCC23CCCC3)ccc1C[NH+]1CCOCC12CCCC2 ZINC000536487455 845990727 /nfs/dbraw/zinc/99/07/27/845990727.db2.gz BMQQCZLNLWLFRW-UHFFFAOYSA-N 2 1 384.564 3.977 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000105443263 845993272 /nfs/dbraw/zinc/99/32/72/845993272.db2.gz DHQHTHADIBEICC-GOSISDBHSA-N 2 1 386.503 3.865 20 0 GHADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000481541743 861636774 /nfs/dbraw/zinc/63/67/74/861636774.db2.gz KPWKDILHLVFFIA-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1)C[C@H]1CCCC[C@@H]1O ZINC000481541743 861636775 /nfs/dbraw/zinc/63/67/75/861636775.db2.gz KPWKDILHLVFFIA-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1)C[C@H]1CCCC[C@@H]1O ZINC000481541743 861636777 /nfs/dbraw/zinc/63/67/77/861636777.db2.gz KPWKDILHLVFFIA-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc(Br)c1O ZINC000513638062 846179179 /nfs/dbraw/zinc/17/91/79/846179179.db2.gz OUYWUSZJFOYUGM-CQSZACIVSA-N 2 1 385.346 3.765 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513668435 846215232 /nfs/dbraw/zinc/21/52/32/846215232.db2.gz YNCRVUITQLFRIV-WXFUMESZSA-N 2 1 391.559 3.827 20 0 GHADMP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)cc2o1 ZINC000279997783 846261816 /nfs/dbraw/zinc/26/18/16/846261816.db2.gz KWFQRFJNCPNWEV-RTWAWAEBSA-N 2 1 398.551 3.545 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000280085941 846285249 /nfs/dbraw/zinc/28/52/49/846285249.db2.gz YTUQBCHOOXVRFU-HZPDHXFCSA-N 2 1 380.492 3.875 20 0 GHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000657338015 846340902 /nfs/dbraw/zinc/34/09/02/846340902.db2.gz GHCWTBGBTIJYCH-PZJWPPBQSA-N 2 1 386.561 3.918 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000657338015 846340908 /nfs/dbraw/zinc/34/09/08/846340908.db2.gz GHCWTBGBTIJYCH-PZJWPPBQSA-N 2 1 386.561 3.918 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000502811629 846493901 /nfs/dbraw/zinc/49/39/01/846493901.db2.gz RERTYWIXJBGGQE-HXUWFJFHSA-N 2 1 394.991 3.754 20 0 GHADMP C(=C/C[N@H+]1CC[C@@H](Cc2nccs2)C1)\C[NH+]1CC[C@H](Cc2nccs2)C1 ZINC000934329978 846528925 /nfs/dbraw/zinc/52/89/25/846528925.db2.gz DDOQMKZZCKZPGW-KVHJKKSTSA-N 2 1 388.606 3.585 20 0 GHADMP C(=C/C[N@@H+]1CC[C@H](Cc2nccs2)C1)\C[NH+]1CC[C@@H](Cc2nccs2)C1 ZINC000934329978 846528933 /nfs/dbraw/zinc/52/89/33/846528933.db2.gz DDOQMKZZCKZPGW-KVHJKKSTSA-N 2 1 388.606 3.585 20 0 GHADMP C(=C/C[N@H+]1CC[C@H](Cc2nccs2)C1)\C[NH+]1CC[C@@H](Cc2nccs2)C1 ZINC000934329978 846528941 /nfs/dbraw/zinc/52/89/41/846528941.db2.gz DDOQMKZZCKZPGW-KVHJKKSTSA-N 2 1 388.606 3.585 20 0 GHADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050018 846577373 /nfs/dbraw/zinc/57/73/73/846577373.db2.gz KNKRJLGKOJQCQC-SFHVURJKSA-N 2 1 380.536 3.819 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000501051762 846579728 /nfs/dbraw/zinc/57/97/28/846579728.db2.gz GDKUFDXEBZKRGW-KRWDZBQOSA-N 2 1 394.401 3.784 20 0 GHADMP Fc1ccc(Oc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cn2)cc1 ZINC000657363920 846586594 /nfs/dbraw/zinc/58/65/94/846586594.db2.gz DAFWIWLZJVJVDW-SFHVURJKSA-N 2 1 385.483 3.604 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000501063985 846593888 /nfs/dbraw/zinc/59/38/88/846593888.db2.gz SMCTZCHXXSBFNY-OAQYLSRUSA-N 2 1 398.938 3.689 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054015 846604574 /nfs/dbraw/zinc/60/45/74/846604574.db2.gz PJYPQPQSFHTAMK-MRXNPFEDSA-N 2 1 386.927 3.910 20 0 GHADMP CC[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000502999647 846700050 /nfs/dbraw/zinc/70/00/50/846700050.db2.gz WLOOXVJZPRPIFL-GGAORHGYSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N1CCC(C)CC1 ZINC000161192724 846703832 /nfs/dbraw/zinc/70/38/32/846703832.db2.gz BBEBJPNAJMCUTB-IBGZPJMESA-N 2 1 386.584 3.524 20 0 GHADMP CC(C)N(C(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000161198337 846710761 /nfs/dbraw/zinc/71/07/61/846710761.db2.gz CIVSBKPUJYVQMB-IBGZPJMESA-N 2 1 388.600 3.910 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1)C1CC1 ZINC000511094875 846714568 /nfs/dbraw/zinc/71/45/68/846714568.db2.gz YMLGVCGTVDAURQ-QHCPKHFHSA-N 2 1 395.547 3.712 20 0 GHADMP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1OCCc2sccc21 ZINC000429130080 861714075 /nfs/dbraw/zinc/71/40/75/861714075.db2.gz BYDBCOZBNQTVGK-LQBOVUBWSA-N 2 1 386.561 3.631 20 0 GHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1OCCc2sccc21 ZINC000429130080 861714085 /nfs/dbraw/zinc/71/40/85/861714085.db2.gz BYDBCOZBNQTVGK-LQBOVUBWSA-N 2 1 386.561 3.631 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000582319246 846859224 /nfs/dbraw/zinc/85/92/24/846859224.db2.gz MGSXXFUXYISODN-SELNLUPBSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000582319246 846859227 /nfs/dbraw/zinc/85/92/27/846859227.db2.gz MGSXXFUXYISODN-SELNLUPBSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501547642 846994625 /nfs/dbraw/zinc/99/46/25/846994625.db2.gz BUVNVEHWNUTMEH-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000481568661 861743224 /nfs/dbraw/zinc/74/32/24/861743224.db2.gz DMRSTYHOTQHRDI-QPPBQGQZSA-N 3 1 387.612 3.625 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000481568661 861743232 /nfs/dbraw/zinc/74/32/32/861743232.db2.gz DMRSTYHOTQHRDI-QPPBQGQZSA-N 2 1 387.612 3.625 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501556123 847018011 /nfs/dbraw/zinc/01/80/11/847018011.db2.gz ZZKUJZHJNBONQS-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1F ZINC000272617398 847126635 /nfs/dbraw/zinc/12/66/35/847126635.db2.gz XNOSNLSMYQGCJT-UHFFFAOYSA-N 2 1 384.421 3.826 20 0 GHADMP C[C@@H](Nc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272857686 847191695 /nfs/dbraw/zinc/19/16/95/847191695.db2.gz UGQVDYIXUCGSJI-CTNGQTDRSA-N 2 1 379.548 3.970 20 0 GHADMP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1CN1CCOCC1 ZINC000420897581 847517057 /nfs/dbraw/zinc/51/70/57/847517057.db2.gz BBQKRZKEAJTMCR-XMMPIXPASA-N 2 1 385.596 3.607 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1CN1CCOCC1 ZINC000420897581 847517066 /nfs/dbraw/zinc/51/70/66/847517066.db2.gz BBQKRZKEAJTMCR-XMMPIXPASA-N 2 1 385.596 3.607 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)c(C)cc3Cl)CC2)CC1 ZINC000421116689 847737020 /nfs/dbraw/zinc/73/70/20/847737020.db2.gz RYXCWNSDULDXKL-UHFFFAOYSA-N 2 1 392.975 3.981 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000604111764 861824832 /nfs/dbraw/zinc/82/48/32/861824832.db2.gz QOMSYQGWCCOMFL-RTWAWAEBSA-N 2 1 398.551 3.626 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422731671 847787256 /nfs/dbraw/zinc/78/72/56/847787256.db2.gz MDFUQGQWSGTQRL-ZDXQCDESSA-N 2 1 379.548 3.915 20 0 GHADMP C[C@H](CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422822575 847841230 /nfs/dbraw/zinc/84/12/30/847841230.db2.gz KDLMURVETRFSRA-WNOPAQSVSA-N 2 1 379.548 3.743 20 0 GHADMP C[C@H](CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000422822575 847841235 /nfs/dbraw/zinc/84/12/35/847841235.db2.gz KDLMURVETRFSRA-WNOPAQSVSA-N 3 1 379.548 3.743 20 0 GHADMP C[C@H](CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422822575 847841241 /nfs/dbraw/zinc/84/12/41/847841241.db2.gz KDLMURVETRFSRA-WNOPAQSVSA-N 3 1 379.548 3.743 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422877866 847865787 /nfs/dbraw/zinc/86/57/87/847865787.db2.gz SCQTUYDLYUSCGJ-DYESRHJHSA-N 2 1 390.430 3.642 20 0 GHADMP Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422885470 847870684 /nfs/dbraw/zinc/87/06/84/847870684.db2.gz YVFQQGGNKWTTBX-LEWJYISDSA-N 2 1 381.520 3.762 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cs1 ZINC000422916072 847886231 /nfs/dbraw/zinc/88/62/31/847886231.db2.gz ZSMYDZJWXQRYFR-PKOBYXMFSA-N 3 1 378.630 3.818 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000611685721 847949028 /nfs/dbraw/zinc/94/90/28/847949028.db2.gz FRQLAXHBQVPQQU-FXAWDEMLSA-N 2 1 392.975 3.508 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657538052 848129678 /nfs/dbraw/zinc/12/96/78/848129678.db2.gz WUAXSENOPSZTTI-REWPJTCUSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657538052 848129683 /nfs/dbraw/zinc/12/96/83/848129683.db2.gz WUAXSENOPSZTTI-REWPJTCUSA-N 3 1 385.596 3.520 20 0 GHADMP c1ccc(C[NH+]2CCC3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)CC2)cc1 ZINC000431480262 848187803 /nfs/dbraw/zinc/18/78/03/848187803.db2.gz AGVOQXGWSDMKEP-UHFFFAOYSA-N 2 1 391.563 3.959 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)cc2)C1 ZINC000657597298 848281906 /nfs/dbraw/zinc/28/19/06/848281906.db2.gz SOZUUUWBKYWSQO-IBGZPJMESA-N 2 1 395.528 3.682 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(OC(F)F)cc1C ZINC000657593989 848285066 /nfs/dbraw/zinc/28/50/66/848285066.db2.gz FUINQBORUGSDEE-FQEVSTJZSA-N 2 1 390.474 3.761 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596178 848289887 /nfs/dbraw/zinc/28/98/87/848289887.db2.gz MAUTVPLUYNMXCB-CZUORRHYSA-N 2 1 395.366 3.928 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)cc2)C1 ZINC000657598241 848299421 /nfs/dbraw/zinc/29/94/21/848299421.db2.gz ZGIAXGMHWZAJFH-FQEVSTJZSA-N 2 1 379.529 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)cc2)C1 ZINC000657598241 848299435 /nfs/dbraw/zinc/29/94/35/848299435.db2.gz ZGIAXGMHWZAJFH-FQEVSTJZSA-N 2 1 379.529 3.667 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000048828852 848395892 /nfs/dbraw/zinc/39/58/92/848395892.db2.gz RFAAZKITHRZGDZ-FQEVSTJZSA-N 2 1 388.581 3.690 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1(C)C ZINC000685042791 848595048 /nfs/dbraw/zinc/59/50/48/848595048.db2.gz MMIZHMTVARUIHH-UHFFFAOYSA-N 2 1 390.575 3.805 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000472272953 848747281 /nfs/dbraw/zinc/74/72/81/848747281.db2.gz HQDNSTGNCWNRIP-PMACEKPBSA-N 2 1 389.584 3.878 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000472272953 848747290 /nfs/dbraw/zinc/74/72/90/848747290.db2.gz HQDNSTGNCWNRIP-PMACEKPBSA-N 2 1 389.584 3.878 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(N4CCCC4=O)cc3)CC2)nc(C)[nH+]1 ZINC000162303361 848893685 /nfs/dbraw/zinc/89/36/85/848893685.db2.gz MHTANMGDQYAVRJ-KRWDZBQOSA-N 2 1 393.535 3.540 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193632 861959022 /nfs/dbraw/zinc/95/90/22/861959022.db2.gz DWAPHFRDPWOVBS-UNMCSNQZSA-N 2 1 386.584 3.633 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)c1 ZINC000511230149 848956654 /nfs/dbraw/zinc/95/66/54/848956654.db2.gz QYPVQZAGGBRCFJ-IBGZPJMESA-N 2 1 386.584 3.758 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000511230149 848956659 /nfs/dbraw/zinc/95/66/59/848956659.db2.gz QYPVQZAGGBRCFJ-IBGZPJMESA-N 2 1 386.584 3.758 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000511230149 848956662 /nfs/dbraw/zinc/95/66/62/848956662.db2.gz QYPVQZAGGBRCFJ-IBGZPJMESA-N 2 1 386.584 3.758 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126162052 849667840 /nfs/dbraw/zinc/66/78/40/849667840.db2.gz VFRKRYLJVBXXRF-FGSXEWAUSA-N 2 1 375.520 3.753 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000080217974 849730507 /nfs/dbraw/zinc/73/05/07/849730507.db2.gz HAWNUGHKFLDRKB-UHFFFAOYSA-N 2 1 380.621 3.506 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000503902881 849751310 /nfs/dbraw/zinc/75/13/10/849751310.db2.gz OWKRCZQRKGTJAP-ZYHUDNBSSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC[N@H+]1C ZINC000503902881 849751315 /nfs/dbraw/zinc/75/13/15/849751315.db2.gz OWKRCZQRKGTJAP-ZYHUDNBSSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423109866 849757343 /nfs/dbraw/zinc/75/73/43/849757343.db2.gz TVMPIHVETKVDCH-CJNGLKHVSA-N 2 1 392.487 3.509 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000503924261 849764271 /nfs/dbraw/zinc/76/42/71/849764271.db2.gz HWAPFHCUXUVITR-UWJYYQICSA-N 2 1 375.532 3.966 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C(C)=C/c3ccccc3C(F)(F)F)C2)CC1 ZINC000503930751 849778232 /nfs/dbraw/zinc/77/82/32/849778232.db2.gz YZPPZPVOCBMXIB-FLXZHSAZSA-N 2 1 381.486 3.821 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1c[nH+]ccc1N ZINC000423177295 849787804 /nfs/dbraw/zinc/78/78/04/849787804.db2.gz HBBDRKCAUUOCTP-CQSZACIVSA-N 2 1 389.341 3.572 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH2+]Cc3cccnc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423180254 849788367 /nfs/dbraw/zinc/78/83/67/849788367.db2.gz AONXGRGLLQJAOX-HJOGWXRNSA-N 2 1 378.564 3.594 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1Br ZINC000423205204 849804833 /nfs/dbraw/zinc/80/48/33/849804833.db2.gz DWFZQZBOVKYOKU-WDEREUQCSA-N 2 1 376.136 3.862 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000504031466 849857661 /nfs/dbraw/zinc/85/76/61/849857661.db2.gz DPRUPIUUJXFRNE-AABGKKOBSA-N 2 1 381.511 3.772 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000504031466 849857670 /nfs/dbraw/zinc/85/76/70/849857670.db2.gz DPRUPIUUJXFRNE-AABGKKOBSA-N 2 1 381.511 3.772 20 0 GHADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434894184 849864295 /nfs/dbraw/zinc/86/42/95/849864295.db2.gz FTEDDIQGTXWXNP-GBXCKJPGSA-N 2 1 391.559 3.777 20 0 GHADMP FC(F)(F)c1cc(Br)ccc1[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423428651 849925605 /nfs/dbraw/zinc/92/56/05/849925605.db2.gz JOXSAICPWHIOFT-OSRDXIQISA-N 2 1 375.232 3.726 20 0 GHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(Br)c1 ZINC000423504776 849946377 /nfs/dbraw/zinc/94/63/77/849946377.db2.gz HBJYSNZPHMYVCS-CTWPCTMYSA-N 2 1 398.364 3.845 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)c1ccccc1 ZINC000504199025 849967655 /nfs/dbraw/zinc/96/76/55/849967655.db2.gz HVSHFOOAXOVLFV-QHCPKHFHSA-N 2 1 394.563 3.849 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)c1ccccc1 ZINC000504199025 849967661 /nfs/dbraw/zinc/96/76/61/849967661.db2.gz HVSHFOOAXOVLFV-QHCPKHFHSA-N 2 1 394.563 3.849 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000504289996 849999482 /nfs/dbraw/zinc/99/94/82/849999482.db2.gz QCRVLIVEHGIXTN-FUHIMQAGSA-N 2 1 392.975 3.649 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818277 850139891 /nfs/dbraw/zinc/13/98/91/850139891.db2.gz BGHGWXPKXQRLQJ-TXTKFYIRSA-N 2 1 380.536 3.965 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818277 850139898 /nfs/dbraw/zinc/13/98/98/850139898.db2.gz BGHGWXPKXQRLQJ-TXTKFYIRSA-N 2 1 380.536 3.965 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818277 850139901 /nfs/dbraw/zinc/13/99/01/850139901.db2.gz BGHGWXPKXQRLQJ-TXTKFYIRSA-N 2 1 380.536 3.965 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000664373820 850146591 /nfs/dbraw/zinc/14/65/91/850146591.db2.gz QFILWYBCWMOBKJ-FXAWDEMLSA-N 2 1 395.551 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000664373820 850146599 /nfs/dbraw/zinc/14/65/99/850146599.db2.gz QFILWYBCWMOBKJ-FXAWDEMLSA-N 2 1 395.551 3.663 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964807 850159724 /nfs/dbraw/zinc/15/97/24/850159724.db2.gz YEOJFUACSLFREJ-MFXLTOHQSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000518920415 850353936 /nfs/dbraw/zinc/35/39/36/850353936.db2.gz WNTLNSNJIYVWEG-UHFFFAOYSA-N 2 1 381.564 3.897 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)CC[NH2+]CC2 ZINC000424368588 850408791 /nfs/dbraw/zinc/40/87/91/850408791.db2.gz APVKJDRDMSLEHF-HNNXBMFYSA-N 2 1 378.442 3.855 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000518968224 850421283 /nfs/dbraw/zinc/42/12/83/850421283.db2.gz KPRJOOLINBDUHA-FQEVSTJZSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000505685822 850467937 /nfs/dbraw/zinc/46/79/37/850467937.db2.gz HEOPPWBAQOBXAR-VAMGGRTRSA-N 2 1 392.975 3.649 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822466 850471706 /nfs/dbraw/zinc/47/17/06/850471706.db2.gz PNFWQUIJAFYGDH-FXAWDEMLSA-N 2 1 376.520 3.534 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822466 850471713 /nfs/dbraw/zinc/47/17/13/850471713.db2.gz PNFWQUIJAFYGDH-FXAWDEMLSA-N 2 1 376.520 3.534 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822466 850471717 /nfs/dbraw/zinc/47/17/17/850471717.db2.gz PNFWQUIJAFYGDH-FXAWDEMLSA-N 2 1 376.520 3.534 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000519033702 850522659 /nfs/dbraw/zinc/52/26/59/850522659.db2.gz ZMNZLWSFVBHXRM-MRXNPFEDSA-N 2 1 383.517 3.743 20 0 GHADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc(Br)c1OC(F)F ZINC000435447576 850537591 /nfs/dbraw/zinc/53/75/91/850537591.db2.gz QDCZRJYXVDVULJ-LBPRGKRZSA-N 2 1 393.272 3.633 20 0 GHADMP CSc1ccccc1NC(=O)CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435626896 850722258 /nfs/dbraw/zinc/72/22/58/850722258.db2.gz LWSKARDTKMPMOC-LJQANCHMSA-N 2 1 398.576 3.776 20 0 GHADMP CSc1ccccc1NC(=O)CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435626896 850722264 /nfs/dbraw/zinc/72/22/64/850722264.db2.gz LWSKARDTKMPMOC-LJQANCHMSA-N 2 1 398.576 3.776 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505280425 850782566 /nfs/dbraw/zinc/78/25/66/850782566.db2.gz URROEUQJYCGBMK-OAQYLSRUSA-N 2 1 375.601 3.756 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000487858504 850937869 /nfs/dbraw/zinc/93/78/69/850937869.db2.gz MKDHPALZUFLEAC-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168374160 851146033 /nfs/dbraw/zinc/14/60/33/851146033.db2.gz WVFCCBZDSKSSFR-UHFFFAOYSA-N 2 1 377.573 3.630 20 0 GHADMP CCC1(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021509 851155493 /nfs/dbraw/zinc/15/54/93/851155493.db2.gz AJDCOFVTJXRRIN-PZJWPPBQSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@@H+](CCc1cccs1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488280499 851341554 /nfs/dbraw/zinc/34/15/54/851341554.db2.gz LVSGMGSKFNIGEG-LJQANCHMSA-N 2 1 399.604 3.782 20 0 GHADMP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110791770 851442922 /nfs/dbraw/zinc/44/29/22/851442922.db2.gz STEIIVKXDMZADR-LJQANCHMSA-N 2 1 395.547 3.866 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)c1ccccc1F ZINC001167975725 851829731 /nfs/dbraw/zinc/82/97/31/851829731.db2.gz VCASEIIJNXVKIP-YRMMNHGISA-N 2 1 399.554 3.862 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414885066 851915596 /nfs/dbraw/zinc/91/55/96/851915596.db2.gz VFXLEKYBJAZWNB-AWEZNQCLSA-N 2 1 380.305 3.684 20 0 GHADMP COc1cc(Br)cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212142292 851951959 /nfs/dbraw/zinc/95/19/59/851951959.db2.gz GOALBRKEVDCIRW-HNNXBMFYSA-N 2 1 397.317 3.676 20 0 GHADMP Cc1cc(C)cc(OCCC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000517503519 852040108 /nfs/dbraw/zinc/04/01/08/852040108.db2.gz VQQFOPFAYPUWBH-UHFFFAOYSA-N 2 1 395.591 3.822 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517640245 852197976 /nfs/dbraw/zinc/19/79/76/852197976.db2.gz XXKZPTAAFPRSTA-YMPZKCBVSA-N 2 1 382.548 3.686 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517640245 852197979 /nfs/dbraw/zinc/19/79/79/852197979.db2.gz XXKZPTAAFPRSTA-YMPZKCBVSA-N 2 1 382.548 3.686 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167983836 852269051 /nfs/dbraw/zinc/26/90/51/852269051.db2.gz JIIOWSKNVVJTQY-YOFSQIOKSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167983836 852269060 /nfs/dbraw/zinc/26/90/60/852269060.db2.gz JIIOWSKNVVJTQY-YOFSQIOKSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489438946 852341923 /nfs/dbraw/zinc/34/19/23/852341923.db2.gz HVGGFGVIDILYFF-IRLDBZIGSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167961266 852380056 /nfs/dbraw/zinc/38/00/56/852380056.db2.gz GYKZMGZBPBGNJU-ISERLACWSA-N 2 1 389.584 3.912 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489677557 852526542 /nfs/dbraw/zinc/52/65/42/852526542.db2.gz KMLGKLWIBNTKID-UHFFFAOYSA-N 2 1 393.575 3.797 20 0 GHADMP C[C@@H]1[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1c1ccccc1 ZINC000366729027 852542949 /nfs/dbraw/zinc/54/29/49/852542949.db2.gz ULWWHRROVBXRBH-IEXUWNMDSA-N 2 1 397.607 3.691 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000489767580 852595844 /nfs/dbraw/zinc/59/58/44/852595844.db2.gz CBXJJQOHOMXUBX-AKFKNWHVSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000490086530 852763100 /nfs/dbraw/zinc/76/31/00/852763100.db2.gz IJYIRULRSAWWPH-QHCPKHFHSA-N 2 1 379.548 3.708 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(Br)c2)no1 ZINC001212142754 852784630 /nfs/dbraw/zinc/78/46/30/852784630.db2.gz RVMZDZSKWHMYDF-AWEZNQCLSA-N 2 1 385.281 3.806 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414951084 852853336 /nfs/dbraw/zinc/85/33/36/852853336.db2.gz GTEULMPHRCDQMG-XJKSGUPXSA-N 2 1 385.346 3.724 20 0 GHADMP CN(C)C(=O)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507469793 852942633 /nfs/dbraw/zinc/94/26/33/852942633.db2.gz LEGKUMWPOLUCDO-QPXUXIHVSA-N 2 1 391.559 3.706 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000518207879 853072349 /nfs/dbraw/zinc/07/23/49/853072349.db2.gz YDPPGRUJFLIIFB-JOCHJYFZSA-N 2 1 386.584 3.736 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000490828428 853280974 /nfs/dbraw/zinc/28/09/74/853280974.db2.gz QENUFVRCCZWAOZ-LJQANCHMSA-N 2 1 380.964 3.508 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000187987410 853292031 /nfs/dbraw/zinc/29/20/31/853292031.db2.gz DGSYFVKGPTUAGL-RBBKRZOGSA-N 2 1 383.511 3.764 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437582787 853297494 /nfs/dbraw/zinc/29/74/94/853297494.db2.gz NYASZUMSXVROHR-XXBNENTESA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437582787 853297501 /nfs/dbraw/zinc/29/75/01/853297501.db2.gz NYASZUMSXVROHR-XXBNENTESA-N 2 1 377.532 3.603 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2C)[C@H](C)C1 ZINC000439143978 853339311 /nfs/dbraw/zinc/33/93/11/853339311.db2.gz WCJYHRBSAOCXHC-APWZRJJASA-N 2 1 383.374 3.984 20 0 GHADMP C[C@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490958122 853383582 /nfs/dbraw/zinc/38/35/82/853383582.db2.gz GRRUIKMHSQXELY-HKUYNNGSSA-N 2 1 382.017 3.780 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000491075989 853419207 /nfs/dbraw/zinc/41/92/07/853419207.db2.gz NFYQFFLVYPNAJU-XMMPIXPASA-N 2 1 396.575 3.887 20 0 GHADMP O[C@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491054769 853429083 /nfs/dbraw/zinc/42/90/83/853429083.db2.gz DDCOYTBSVYPXFE-FPOVZHCZSA-N 2 1 394.987 3.806 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055853 853429897 /nfs/dbraw/zinc/42/98/97/853429897.db2.gz BEGWBRXXEJGQGI-AZUAARDMSA-N 2 1 380.960 3.668 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055853 853429899 /nfs/dbraw/zinc/42/98/99/853429899.db2.gz BEGWBRXXEJGQGI-AZUAARDMSA-N 2 1 380.960 3.668 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518507880 853441409 /nfs/dbraw/zinc/44/14/09/853441409.db2.gz NBUZZYZZOFPFNB-NVXDSCFRSA-N 2 1 394.559 3.907 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167988062 853460507 /nfs/dbraw/zinc/46/05/07/853460507.db2.gz ORDLTPFZZDDGDE-YOFSQIOKSA-N 2 1 377.573 3.629 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@@H+](C2CC[NH+](CC4CC4)CC2)CC3)c1 ZINC001168377292 853562051 /nfs/dbraw/zinc/56/20/51/853562051.db2.gz BQTQVEIOVPBOMV-UHFFFAOYSA-N 2 1 380.511 3.558 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@H]1C(F)(F)F ZINC000629565997 853565738 /nfs/dbraw/zinc/56/57/38/853565738.db2.gz XMXUBCPPKKVJBH-DLBZAZTESA-N 2 1 388.437 3.960 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@H]1C(F)(F)F ZINC000629565997 853565741 /nfs/dbraw/zinc/56/57/41/853565741.db2.gz XMXUBCPPKKVJBH-DLBZAZTESA-N 2 1 388.437 3.960 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000437852483 853605261 /nfs/dbraw/zinc/60/52/61/853605261.db2.gz QKHXKCOFGZQNRC-QHCPKHFHSA-N 2 1 383.580 3.812 20 0 GHADMP O=C1CCCN1c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000163888717 853609266 /nfs/dbraw/zinc/60/92/66/853609266.db2.gz UDMVTHWVMMYQAO-UHFFFAOYSA-N 2 1 395.522 3.749 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(C(F)(F)F)c1 ZINC000441211804 854004362 /nfs/dbraw/zinc/00/43/62/854004362.db2.gz YTNRFJJTDCIENC-NZSAHSFTSA-N 2 1 386.458 3.658 20 0 GHADMP C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000467418635 854022960 /nfs/dbraw/zinc/02/29/60/854022960.db2.gz OBWCXVUODGUOLP-IFXJQAMLSA-N 2 1 380.891 3.804 20 0 GHADMP CCN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473950982 854395596 /nfs/dbraw/zinc/39/55/96/854395596.db2.gz LSQBDDYCFSSHMM-KNQAVFIVSA-N 2 1 386.584 3.585 20 0 GHADMP c1cc(C[NH+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)co1 ZINC001167994033 854412496 /nfs/dbraw/zinc/41/24/96/854412496.db2.gz WVRDITUSLYDFJS-AIZNXBIQSA-N 2 1 383.580 3.973 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)co1 ZINC001167994033 854412501 /nfs/dbraw/zinc/41/25/01/854412501.db2.gz WVRDITUSLYDFJS-AIZNXBIQSA-N 2 1 383.580 3.973 20 0 GHADMP c1cc(C[N@@H+]2CCC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)co1 ZINC001167994033 854412506 /nfs/dbraw/zinc/41/25/06/854412506.db2.gz WVRDITUSLYDFJS-AIZNXBIQSA-N 2 1 383.580 3.973 20 0 GHADMP c1cc(C[NH+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CC3)co1 ZINC001167994033 854412508 /nfs/dbraw/zinc/41/25/08/854412508.db2.gz WVRDITUSLYDFJS-AIZNXBIQSA-N 3 1 383.580 3.973 20 0 GHADMP c1cc(C[NH+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)co1 ZINC001167994033 854412512 /nfs/dbraw/zinc/41/25/12/854412512.db2.gz WVRDITUSLYDFJS-AIZNXBIQSA-N 3 1 383.580 3.973 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)co1 ZINC001167994033 854412517 /nfs/dbraw/zinc/41/25/17/854412517.db2.gz WVRDITUSLYDFJS-AIZNXBIQSA-N 3 1 383.580 3.973 20 0 GHADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)co1 ZINC001167994033 854412524 /nfs/dbraw/zinc/41/25/24/854412524.db2.gz WVRDITUSLYDFJS-AIZNXBIQSA-N 3 1 383.580 3.973 20 0 GHADMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441448035 854466363 /nfs/dbraw/zinc/46/63/63/854466363.db2.gz FXDWUJATTFMINZ-URXFXBBRSA-N 2 1 394.559 3.901 20 0 GHADMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441448035 854466367 /nfs/dbraw/zinc/46/63/67/854466367.db2.gz FXDWUJATTFMINZ-URXFXBBRSA-N 2 1 394.559 3.901 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978495 854497748 /nfs/dbraw/zinc/49/77/48/854497748.db2.gz STFGMYYICDVMHI-QRQLOZEOSA-N 2 1 377.960 3.571 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000732925127 862593455 /nfs/dbraw/zinc/59/34/55/862593455.db2.gz CDVYNTDYIFMRJT-OAQYLSRUSA-N 2 1 388.625 3.511 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000589211933 854752527 /nfs/dbraw/zinc/75/25/27/854752527.db2.gz DACLXKYNMWQFPJ-LJQANCHMSA-N 2 1 388.600 3.981 20 0 GHADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000589211933 854752537 /nfs/dbraw/zinc/75/25/37/854752537.db2.gz DACLXKYNMWQFPJ-LJQANCHMSA-N 2 1 388.600 3.981 20 0 GHADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000589211933 854752547 /nfs/dbraw/zinc/75/25/47/854752547.db2.gz DACLXKYNMWQFPJ-LJQANCHMSA-N 2 1 388.600 3.981 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCc4c(F)cccc43)CC2)CC1 ZINC000655119115 855043825 /nfs/dbraw/zinc/04/38/25/855043825.db2.gz HOZIAQJLAOGOJJ-QFIPXVFZSA-N 2 1 387.543 3.516 20 0 GHADMP CSCC[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536427426 855453467 /nfs/dbraw/zinc/45/34/67/855453467.db2.gz WYPQNFYRRZXKFD-QFBILLFUSA-N 2 1 398.016 3.667 20 0 GHADMP CSCC[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536427426 855453472 /nfs/dbraw/zinc/45/34/72/855453472.db2.gz WYPQNFYRRZXKFD-QFBILLFUSA-N 2 1 398.016 3.667 20 0 GHADMP CC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001752 855495624 /nfs/dbraw/zinc/49/56/24/855495624.db2.gz HDCNTDSAGRGTMH-MQEZQYLSSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000674015778 862696222 /nfs/dbraw/zinc/69/62/22/862696222.db2.gz MOHRYPUTYLPKPB-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674015778 862696225 /nfs/dbraw/zinc/69/62/25/862696225.db2.gz MOHRYPUTYLPKPB-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674015778 862696229 /nfs/dbraw/zinc/69/62/29/862696229.db2.gz MOHRYPUTYLPKPB-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000590812318 855600009 /nfs/dbraw/zinc/60/00/09/855600009.db2.gz RVRHQFCBYJFUOB-QHCPKHFHSA-N 2 1 379.548 3.921 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000482109197 862711703 /nfs/dbraw/zinc/71/17/03/862711703.db2.gz RYHOAPZXNUUZTH-GHTZIAJQSA-N 2 1 397.588 3.523 20 0 GHADMP CCCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520610126 855787845 /nfs/dbraw/zinc/78/78/45/855787845.db2.gz VQOAHBWIZWRGRS-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520610126 855787855 /nfs/dbraw/zinc/78/78/55/855787855.db2.gz VQOAHBWIZWRGRS-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520610126 855787860 /nfs/dbraw/zinc/78/78/60/855787860.db2.gz VQOAHBWIZWRGRS-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000765868908 855839948 /nfs/dbraw/zinc/83/99/48/855839948.db2.gz UEEMDXRCBWPXBK-PGRDOPGGSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000591421680 855969518 /nfs/dbraw/zinc/96/95/18/855969518.db2.gz DOYXLLIOGBFKQY-FQEVSTJZSA-N 2 1 387.568 3.546 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000108706859 855987992 /nfs/dbraw/zinc/98/79/92/855987992.db2.gz PTEZRQNRMLXHBR-XMMPIXPASA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000108706859 855988041 /nfs/dbraw/zinc/98/80/41/855988041.db2.gz PTEZRQNRMLXHBR-XMMPIXPASA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000108706859 855988119 /nfs/dbraw/zinc/98/81/19/855988119.db2.gz PTEZRQNRMLXHBR-XMMPIXPASA-N 2 1 391.559 3.694 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1OC ZINC000482147699 862743726 /nfs/dbraw/zinc/74/37/26/862743726.db2.gz RJRVOLWVYKEQJS-RDJZCZTQSA-N 2 1 381.948 3.777 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+](C)C1CCCC1 ZINC000591466244 856003773 /nfs/dbraw/zinc/00/37/73/856003773.db2.gz QKWMSXMXJHMVLX-LJQANCHMSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000591466244 856003777 /nfs/dbraw/zinc/00/37/77/856003777.db2.gz QKWMSXMXJHMVLX-LJQANCHMSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000591466244 856003781 /nfs/dbraw/zinc/00/37/81/856003781.db2.gz QKWMSXMXJHMVLX-LJQANCHMSA-N 2 1 387.568 3.544 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000465826727 856154268 /nfs/dbraw/zinc/15/42/68/856154268.db2.gz QJGLMAWRHCGZNA-VXKWHMMOSA-N 2 1 386.584 3.648 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000474010212 856165308 /nfs/dbraw/zinc/16/53/08/856165308.db2.gz KGNQOVPBZJRNLN-YUVSOPLDSA-N 2 1 398.595 3.877 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000067449243 856238190 /nfs/dbraw/zinc/23/81/90/856238190.db2.gz QRTQMROFRVHPCV-IBGZPJMESA-N 2 1 383.536 3.881 20 0 GHADMP C[C@H](C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000785452720 856300998 /nfs/dbraw/zinc/30/09/98/856300998.db2.gz XPLXRXSCIHMVLW-GOSISDBHSA-N 2 1 375.557 3.744 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000573604058 856310001 /nfs/dbraw/zinc/31/00/01/856310001.db2.gz ITRMNKSEZIDXBZ-CMBBURJTSA-N 2 1 379.495 3.512 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000573604058 856310012 /nfs/dbraw/zinc/31/00/12/856310012.db2.gz ITRMNKSEZIDXBZ-CMBBURJTSA-N 2 1 379.495 3.512 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000172518843 856464615 /nfs/dbraw/zinc/46/46/15/856464615.db2.gz PTWFNWRYZSRLON-FXAWDEMLSA-N 2 1 392.975 3.603 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000172518845 856464824 /nfs/dbraw/zinc/46/48/24/856464824.db2.gz PTWFNWRYZSRLON-XLIONFOSSA-N 2 1 392.975 3.603 20 0 GHADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000479364213 856698116 /nfs/dbraw/zinc/69/81/16/856698116.db2.gz RJXMYYOEQFJYJZ-IBGZPJMESA-N 2 1 383.374 3.973 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)c2)CC1 ZINC000592519710 856916683 /nfs/dbraw/zinc/91/66/83/856916683.db2.gz SKILKNKSDHMJBP-QFIPXVFZSA-N 2 1 398.595 3.735 20 0 GHADMP CC(C)[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000111507750 856939237 /nfs/dbraw/zinc/93/92/37/856939237.db2.gz GUQPNCXATQCLQD-FRIKZZABSA-N 2 1 386.584 3.600 20 0 GHADMP C[C@@H]1CCN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c2ccccc2S1 ZINC000056524511 857069386 /nfs/dbraw/zinc/06/93/86/857069386.db2.gz IAJDGGDGSUCILX-QGZVFWFLSA-N 2 1 375.582 3.568 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3nc(Br)c[nH]3)cc2)CC1 ZINC000921909314 857076653 /nfs/dbraw/zinc/07/66/53/857076653.db2.gz VHFXSKRGXUBAPC-UHFFFAOYSA-N 2 1 392.345 3.562 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000665255425 857100643 /nfs/dbraw/zinc/10/06/43/857100643.db2.gz SDFHQMAYLAGCMD-LGGPRVQUSA-N 2 1 382.552 3.580 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000168516973 862882313 /nfs/dbraw/zinc/88/23/13/862882313.db2.gz UAONDLSEMRSYSU-MAODMQOUSA-N 2 1 385.939 3.851 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000574102910 857246569 /nfs/dbraw/zinc/24/65/69/857246569.db2.gz UWDHNMSFHPEZST-IMNFJDCFSA-N 2 1 391.559 3.666 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000574143309 857259202 /nfs/dbraw/zinc/25/92/02/857259202.db2.gz JRHHVBQHBJXFNZ-RTBURBONSA-N 2 1 375.900 3.713 20 0 GHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cccc(Nc2ccccc2)c1 ZINC000605306707 862922285 /nfs/dbraw/zinc/92/22/85/862922285.db2.gz VSBGIMJZAXBCEB-UHFFFAOYSA-N 2 1 380.536 3.528 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000521103420 857602762 /nfs/dbraw/zinc/60/27/62/857602762.db2.gz OPOLWBWIUPODSV-NRFANRHFSA-N 2 1 399.623 3.908 20 0 GHADMP OC[C@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000451077507 857617066 /nfs/dbraw/zinc/61/70/66/857617066.db2.gz KNZGEGFAOLFNEG-OALUTQOASA-N 2 1 394.987 3.529 20 0 GHADMP CC[C@@H](Cc1cccs1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000675832030 857629890 /nfs/dbraw/zinc/62/98/90/857629890.db2.gz DDCDGLPIWSYUAM-PMACEKPBSA-N 2 1 385.577 3.556 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000676001617 857705355 /nfs/dbraw/zinc/70/53/55/857705355.db2.gz MXVULGSRIXZUBE-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000671744449 857765031 /nfs/dbraw/zinc/76/50/31/857765031.db2.gz IQAIZNRIHQVAMP-IEBWSBKVSA-N 2 1 379.504 3.580 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000676221009 857784822 /nfs/dbraw/zinc/78/48/22/857784822.db2.gz FQIQOJUROIXVJJ-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000676221009 857784834 /nfs/dbraw/zinc/78/48/34/857784834.db2.gz FQIQOJUROIXVJJ-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486547059 857834222 /nfs/dbraw/zinc/83/42/22/857834222.db2.gz HTHRCNRKQUZBIS-PKOBYXMFSA-N 2 1 384.520 3.713 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486547059 857834230 /nfs/dbraw/zinc/83/42/30/857834230.db2.gz HTHRCNRKQUZBIS-PKOBYXMFSA-N 2 1 384.520 3.713 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000521317649 857865926 /nfs/dbraw/zinc/86/59/26/857865926.db2.gz QUANCHKQHMAYFX-YJBOKZPZSA-N 2 1 385.458 3.961 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000605331561 862960177 /nfs/dbraw/zinc/96/01/77/862960177.db2.gz HJMOCTYSIAQKCG-IBGZPJMESA-N 2 1 395.547 3.793 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000605331561 862960191 /nfs/dbraw/zinc/96/01/91/862960191.db2.gz HJMOCTYSIAQKCG-IBGZPJMESA-N 2 1 395.547 3.793 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000181681927 862971201 /nfs/dbraw/zinc/97/12/01/862971201.db2.gz SEVGSGHQITWSQJ-NRFANRHFSA-N 2 1 377.617 3.859 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OCC)CC1 ZINC000066960796 857984575 /nfs/dbraw/zinc/98/45/75/857984575.db2.gz BYALNUWZGOIQNU-SFHVURJKSA-N 2 1 375.557 3.856 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OCC)CC1 ZINC000066960796 857984582 /nfs/dbraw/zinc/98/45/82/857984582.db2.gz BYALNUWZGOIQNU-SFHVURJKSA-N 2 1 375.557 3.856 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(-c3cnn(C)c3C)no2)CC1)CC1CC1 ZINC000467444998 858095914 /nfs/dbraw/zinc/09/59/14/858095914.db2.gz PXXBPAXSHURPKN-UHFFFAOYSA-N 2 1 385.556 3.718 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000624864535 858099769 /nfs/dbraw/zinc/09/97/69/858099769.db2.gz XCWCXNRUKVKRDZ-BJKOFHAPSA-N 2 1 397.607 3.725 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442778698 858118735 /nfs/dbraw/zinc/11/87/35/858118735.db2.gz HLVSKPZBYFDEJC-ICSRJNTNSA-N 2 1 383.502 3.959 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000521614323 858174493 /nfs/dbraw/zinc/17/44/93/858174493.db2.gz IJWBSIVNOXKAGB-TZIWHRDSSA-N 2 1 392.465 3.721 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H](OCC(C)C)C3(C)C)CC2)oc1C ZINC000181740401 862993935 /nfs/dbraw/zinc/99/39/35/862993935.db2.gz RHQGAMPGPQCVTM-PMACEKPBSA-N 2 1 377.573 3.933 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1(C)C ZINC000442873412 858190565 /nfs/dbraw/zinc/19/05/65/858190565.db2.gz OZZDAPWDTFFRLJ-GOSISDBHSA-N 2 1 384.593 3.803 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000442875561 858191541 /nfs/dbraw/zinc/19/15/41/858191541.db2.gz PCXSXVSLPRGFOY-DEOSSOPVSA-N 2 1 379.592 3.846 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c2ccccc2)CC1 ZINC000521628695 858196100 /nfs/dbraw/zinc/19/61/00/858196100.db2.gz ZXMNCADZZIBJQL-PKTZIBPZSA-N 2 1 379.548 3.879 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543088277 858276631 /nfs/dbraw/zinc/27/66/31/858276631.db2.gz IRDRBIPFKSPRSJ-AZUAARDMSA-N 2 1 381.923 3.603 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1Cl ZINC000594949870 858343565 /nfs/dbraw/zinc/34/35/65/858343565.db2.gz UIGMNCXCSNYWDT-YLJYHZDGSA-N 2 1 392.975 3.506 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595013322 858350214 /nfs/dbraw/zinc/35/02/14/858350214.db2.gz RXZAQXLOQCLFNZ-SJKOYZFVSA-N 2 1 395.288 3.709 20 0 GHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765973069 858441379 /nfs/dbraw/zinc/44/13/79/858441379.db2.gz BOINLWLPNDQLDV-UWJYYQICSA-N 2 1 388.556 3.511 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000595235330 858448301 /nfs/dbraw/zinc/44/83/01/858448301.db2.gz GEMMSEIDYXQTNU-NHCUHLMSSA-N 2 1 386.499 3.729 20 0 GHADMP c1csc(N2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC000281432496 863024832 /nfs/dbraw/zinc/02/48/32/863024832.db2.gz CGICXPYLRCCJIJ-WKCHPHFGSA-N 2 1 382.577 3.897 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc(C[N@H+](C)[C@H]4CCSC4)n3)cc2)CC1 ZINC000443216363 858480114 /nfs/dbraw/zinc/48/01/14/858480114.db2.gz NQMGFYQEIHHHBJ-IBGZPJMESA-N 2 1 386.565 3.906 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc(C[N@@H+](C)[C@H]4CCSC4)n3)cc2)CC1 ZINC000443216363 858480120 /nfs/dbraw/zinc/48/01/20/858480120.db2.gz NQMGFYQEIHHHBJ-IBGZPJMESA-N 2 1 386.565 3.906 20 0 GHADMP COc1ccc(OCc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000574989610 858485081 /nfs/dbraw/zinc/48/50/81/858485081.db2.gz ZHKCZEUJDKORGG-SJORKVTESA-N 2 1 387.549 3.552 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657430885 858783104 /nfs/dbraw/zinc/78/31/04/858783104.db2.gz VYGPPFZEINLFOJ-QFIPXVFZSA-N 2 1 393.556 3.975 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2C)cc1 ZINC000183676838 858793774 /nfs/dbraw/zinc/79/37/74/858793774.db2.gz VEPRNWSUMOXWMR-RTBURBONSA-N 2 1 390.531 3.887 20 0 GHADMP CC(C)C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1 ZINC000482889377 858944698 /nfs/dbraw/zinc/94/46/98/858944698.db2.gz MEENEDVEOUTJEV-FQEVSTJZSA-N 2 1 379.976 3.960 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)ccn1 ZINC000856551288 881370413 /nfs/dbraw/zinc/37/04/13/881370413.db2.gz OLPSXYPBTXYNRJ-DEOSSOPVSA-N 2 1 395.547 3.975 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)ccn1 ZINC000856551288 881370435 /nfs/dbraw/zinc/37/04/35/881370435.db2.gz OLPSXYPBTXYNRJ-DEOSSOPVSA-N 2 1 395.547 3.975 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)ccn1 ZINC000856551288 881370455 /nfs/dbraw/zinc/37/04/55/881370455.db2.gz OLPSXYPBTXYNRJ-DEOSSOPVSA-N 2 1 395.547 3.975 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2c[nH+]ccc2N2CCOCC2)C3)cc1 ZINC001170333692 881378079 /nfs/dbraw/zinc/37/80/79/881378079.db2.gz SFSZMOTYSRTSNI-MZADTFQBSA-N 2 1 378.520 3.526 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000483006002 859055231 /nfs/dbraw/zinc/05/52/31/859055231.db2.gz LPOVKHVELUCJAI-OXJNMPFZSA-N 2 1 377.960 3.714 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000483006002 859055236 /nfs/dbraw/zinc/05/52/36/859055236.db2.gz LPOVKHVELUCJAI-OXJNMPFZSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(Br)nn2C)cc1 ZINC000785418540 859072151 /nfs/dbraw/zinc/07/21/51/859072151.db2.gz UNMICMNIDPTAHX-OAHLLOKOSA-N 2 1 391.357 3.847 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nnn1-c1ccc(C)cc1 ZINC000483165064 859199156 /nfs/dbraw/zinc/19/91/56/859199156.db2.gz BDSQDIODPALIGP-SFHVURJKSA-N 2 1 390.535 3.907 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000081126512 859217803 /nfs/dbraw/zinc/21/78/03/859217803.db2.gz SPPXJIYYEAPFBZ-QHCPKHFHSA-N 2 1 377.532 3.629 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000543312597 859231853 /nfs/dbraw/zinc/23/18/53/859231853.db2.gz JGDAATRFGFHHOH-HXUWFJFHSA-N 2 1 383.540 3.562 20 0 GHADMP O[C@@H](C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000923347449 859237800 /nfs/dbraw/zinc/23/78/00/859237800.db2.gz QEEIEEYYTFUTBU-IRXDYDNUSA-N 2 1 395.931 3.613 20 0 GHADMP O[C@@H](C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000923347449 859237810 /nfs/dbraw/zinc/23/78/10/859237810.db2.gz QEEIEEYYTFUTBU-IRXDYDNUSA-N 2 1 395.931 3.613 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)CC1 ZINC000597027451 859243536 /nfs/dbraw/zinc/24/35/36/859243536.db2.gz VKERYLZPXPDFKI-OAQYLSRUSA-N 2 1 398.526 3.613 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)CC1 ZINC000597027451 859243554 /nfs/dbraw/zinc/24/35/54/859243554.db2.gz VKERYLZPXPDFKI-OAQYLSRUSA-N 2 1 398.526 3.613 20 0 GHADMP COCCN(C)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cn1 ZINC000483301003 859280610 /nfs/dbraw/zinc/28/06/10/859280610.db2.gz ZDJFCTDTWNDXLD-HXUWFJFHSA-N 2 1 388.600 3.641 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[NH+](C)Cc1ccccc1 ZINC000550571367 859298438 /nfs/dbraw/zinc/29/84/38/859298438.db2.gz VIPAQRLRIILAIK-CGTJXYLNSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000550571367 859298450 /nfs/dbraw/zinc/29/84/50/859298450.db2.gz VIPAQRLRIILAIK-CGTJXYLNSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000550571367 859298463 /nfs/dbraw/zinc/29/84/63/859298463.db2.gz VIPAQRLRIILAIK-CGTJXYLNSA-N 2 1 399.501 3.532 20 0 GHADMP O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000282547298 859396782 /nfs/dbraw/zinc/39/67/82/859396782.db2.gz WVMYHSQPDBQCLW-QHCPKHFHSA-N 2 1 392.547 3.590 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000626061427 859434563 /nfs/dbraw/zinc/43/45/63/859434563.db2.gz KEWOXRUMSUPENV-KRWDZBQOSA-N 2 1 399.535 3.615 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000626062187 859436949 /nfs/dbraw/zinc/43/69/49/859436949.db2.gz KVJNGNPCSARWGS-GCJKJVERSA-N 2 1 395.547 3.599 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000626063257 859437673 /nfs/dbraw/zinc/43/76/73/859437673.db2.gz XKTVEJVQQZPSQH-QGZVFWFLSA-N 2 1 399.535 3.615 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000483595736 859473236 /nfs/dbraw/zinc/47/32/36/859473236.db2.gz UFPHYAUEBABVMH-HSZRJFAPSA-N 2 1 377.532 3.784 20 0 GHADMP Cc1nc(-c2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc2)cs1 ZINC000665390894 859525635 /nfs/dbraw/zinc/52/56/35/859525635.db2.gz RXABILOZIQWJCI-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP Cc1nc(-c2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc2)cs1 ZINC000665390894 859525641 /nfs/dbraw/zinc/52/56/41/859525641.db2.gz RXABILOZIQWJCI-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000465584732 859592411 /nfs/dbraw/zinc/59/24/11/859592411.db2.gz GUHZNIDLMKQYQY-AVRDEDQJSA-N 2 1 394.563 3.697 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000465584733 859593570 /nfs/dbraw/zinc/59/35/70/859593570.db2.gz GUHZNIDLMKQYQY-GCJKJVERSA-N 2 1 394.563 3.697 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000114453668 859612492 /nfs/dbraw/zinc/61/24/92/859612492.db2.gz AQVMPEQILJPONL-UHFFFAOYSA-N 2 1 379.548 3.678 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543427896 859684682 /nfs/dbraw/zinc/68/46/82/859684682.db2.gz GRYICDVDJQQYSJ-ZEQRLZLVSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543427896 859684688 /nfs/dbraw/zinc/68/46/88/859684688.db2.gz GRYICDVDJQQYSJ-ZEQRLZLVSA-N 2 1 391.490 3.667 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764972897 859704341 /nfs/dbraw/zinc/70/43/41/859704341.db2.gz SAVZYYWEASBRTE-XHSDSOJGSA-N 2 1 388.524 3.702 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764972897 859704344 /nfs/dbraw/zinc/70/43/44/859704344.db2.gz SAVZYYWEASBRTE-XHSDSOJGSA-N 2 1 388.524 3.702 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764959934 859709512 /nfs/dbraw/zinc/70/95/12/859709512.db2.gz BEPZEKWGCVWZBF-CVEARBPZSA-N 2 1 388.524 3.988 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000474282337 859758514 /nfs/dbraw/zinc/75/85/14/859758514.db2.gz IFEUFSUOILJFNJ-HSZRJFAPSA-N 2 1 385.596 3.692 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)c1 ZINC000474305132 859816232 /nfs/dbraw/zinc/81/62/32/859816232.db2.gz NHHGOAQSEMLZCO-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)c1 ZINC000474305132 859816243 /nfs/dbraw/zinc/81/62/43/859816243.db2.gz NHHGOAQSEMLZCO-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474305132 859816254 /nfs/dbraw/zinc/81/62/54/859816254.db2.gz NHHGOAQSEMLZCO-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474305132 859816266 /nfs/dbraw/zinc/81/62/66/859816266.db2.gz NHHGOAQSEMLZCO-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727075674 859915914 /nfs/dbraw/zinc/91/59/14/859915914.db2.gz KFHCAENNMUIIOE-SFHVURJKSA-N 2 1 390.641 3.613 20 0 GHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000765504378 860022826 /nfs/dbraw/zinc/02/28/26/860022826.db2.gz PVEYXUMKXCQCTC-QFIPXVFZSA-N 2 1 397.906 3.752 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000474455930 860143543 /nfs/dbraw/zinc/14/35/43/860143543.db2.gz DASONASWFUAEKI-GDBMZVCRSA-N 2 1 398.332 3.686 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCOCC2)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035735 860183646 /nfs/dbraw/zinc/18/36/46/860183646.db2.gz USDCZNQXPOTBOX-MQFRRQCYSA-N 2 1 387.612 3.765 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000544556020 860255836 /nfs/dbraw/zinc/25/58/36/860255836.db2.gz WFKWQZWZCNXKCQ-VQIMIIECSA-N 2 1 399.501 3.936 20 0 GHADMP CCCN(C(=O)NCC[NH+](CC)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000522446138 860278137 /nfs/dbraw/zinc/27/81/37/860278137.db2.gz KAIBLKUFXBPCAN-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522446138 860278148 /nfs/dbraw/zinc/27/81/48/860278148.db2.gz KAIBLKUFXBPCAN-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522446138 860278158 /nfs/dbraw/zinc/27/81/58/860278158.db2.gz KAIBLKUFXBPCAN-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[NH+]1CCC(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000155087740 860394774 /nfs/dbraw/zinc/39/47/74/860394774.db2.gz KUJVSCDJYBWLLU-UHFFFAOYSA-N 2 1 379.548 3.679 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3nsc4ccccc34)C2)ccn1 ZINC000856583584 881540687 /nfs/dbraw/zinc/54/06/87/881540687.db2.gz KQSCHYLMEMTQNE-IBGZPJMESA-N 2 1 396.560 3.839 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3nsc4ccccc34)C2)ccn1 ZINC000856583584 881540871 /nfs/dbraw/zinc/54/08/71/881540871.db2.gz KQSCHYLMEMTQNE-IBGZPJMESA-N 2 1 396.560 3.839 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3nsc4ccccc34)C2)ccn1 ZINC000856583584 881540539 /nfs/dbraw/zinc/54/05/39/881540539.db2.gz KQSCHYLMEMTQNE-IBGZPJMESA-N 2 1 396.560 3.839 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000029654875 860446126 /nfs/dbraw/zinc/44/61/26/860446126.db2.gz ILYJOOCUJQRVPK-FQEVSTJZSA-N 2 1 395.576 3.525 20 0 GHADMP CCCCn1nc(C)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Cl ZINC000904472924 860465354 /nfs/dbraw/zinc/46/53/54/860465354.db2.gz GQOOKIWKZRUFCQ-WIYYLYMNSA-N 2 1 388.943 3.991 20 0 GHADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904648233 860543838 /nfs/dbraw/zinc/54/38/38/860543838.db2.gz KAGDZCDXNAPUDG-VGOFRKELSA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904648233 860543841 /nfs/dbraw/zinc/54/38/41/860543841.db2.gz KAGDZCDXNAPUDG-VGOFRKELSA-N 2 1 395.551 3.613 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428968724 860546196 /nfs/dbraw/zinc/54/61/96/860546196.db2.gz PGVFKWDQKXXSMZ-RBBKRZOGSA-N 2 1 388.600 3.848 20 0 GHADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532230127 881554195 /nfs/dbraw/zinc/55/41/95/881554195.db2.gz CCLXDKDXGAPKSN-NQIIRXRSSA-N 2 1 395.547 3.552 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585930 881557211 /nfs/dbraw/zinc/55/72/11/881557211.db2.gz NOHUFASTDPJMGS-QFBILLFUSA-N 2 1 380.492 3.889 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585930 881557223 /nfs/dbraw/zinc/55/72/23/881557223.db2.gz NOHUFASTDPJMGS-QFBILLFUSA-N 2 1 380.492 3.889 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585930 881557228 /nfs/dbraw/zinc/55/72/28/881557228.db2.gz NOHUFASTDPJMGS-QFBILLFUSA-N 2 1 380.492 3.889 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856590019 881560409 /nfs/dbraw/zinc/56/04/09/881560409.db2.gz QLGHRTMKTBFJPO-LJQANCHMSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856590019 881560416 /nfs/dbraw/zinc/56/04/16/881560416.db2.gz QLGHRTMKTBFJPO-LJQANCHMSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856590019 881560423 /nfs/dbraw/zinc/56/04/23/881560423.db2.gz QLGHRTMKTBFJPO-LJQANCHMSA-N 2 1 375.463 3.507 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000429020577 860726153 /nfs/dbraw/zinc/72/61/53/860726153.db2.gz MJHMRDLCSPVLOY-QHCPKHFHSA-N 2 1 379.504 3.835 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000429020577 860726159 /nfs/dbraw/zinc/72/61/59/860726159.db2.gz MJHMRDLCSPVLOY-QHCPKHFHSA-N 2 1 379.504 3.835 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000429020577 860726162 /nfs/dbraw/zinc/72/61/62/860726162.db2.gz MJHMRDLCSPVLOY-QHCPKHFHSA-N 2 1 379.504 3.835 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000474752360 860735739 /nfs/dbraw/zinc/73/57/39/860735739.db2.gz AHPGNUMYQPISOW-UHFFFAOYSA-N 2 1 377.532 3.712 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000489825212 860763726 /nfs/dbraw/zinc/76/37/26/860763726.db2.gz XVHXJXXTZVUEDC-UGKGYDQZSA-N 2 1 386.584 3.509 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605516 881580897 /nfs/dbraw/zinc/58/08/97/881580897.db2.gz CNKYEQQULKPRLW-QZTJIDSGSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605516 881580914 /nfs/dbraw/zinc/58/09/14/881580914.db2.gz CNKYEQQULKPRLW-QZTJIDSGSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605516 881580936 /nfs/dbraw/zinc/58/09/36/881580936.db2.gz CNKYEQQULKPRLW-QZTJIDSGSA-N 2 1 386.367 3.959 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000623360880 860921678 /nfs/dbraw/zinc/92/16/78/860921678.db2.gz CHXNMQSQOJNYNX-STQMWFEESA-N 2 1 381.343 3.617 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000623360880 860921689 /nfs/dbraw/zinc/92/16/89/860921689.db2.gz CHXNMQSQOJNYNX-STQMWFEESA-N 2 1 381.343 3.617 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)CC2)[nH+]c1C ZINC000899513299 860961999 /nfs/dbraw/zinc/96/19/99/860961999.db2.gz NOXPDNCCLQMOKG-NRFANRHFSA-N 2 1 380.536 3.856 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)CC2)[nH+]c1C ZINC000899513299 860962009 /nfs/dbraw/zinc/96/20/09/860962009.db2.gz NOXPDNCCLQMOKG-NRFANRHFSA-N 2 1 380.536 3.856 20 0 GHADMP CCN1C(=O)CCC12CC[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168043025 861036504 /nfs/dbraw/zinc/03/65/04/861036504.db2.gz ADOACYYWKAZSAR-VTYHHJSWSA-N 2 1 383.580 3.905 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000481330689 861078454 /nfs/dbraw/zinc/07/84/54/861078454.db2.gz FJGVDKODFSILLQ-XUZZJYLKSA-N 2 1 387.612 3.686 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696705 863129904 /nfs/dbraw/zinc/12/99/04/863129904.db2.gz JLYKBVLOHBAEGW-NTKDMRAZSA-N 2 1 395.547 3.955 20 0 GHADMP Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000183149074 863487390 /nfs/dbraw/zinc/48/73/90/863487390.db2.gz HFJPWIWHLZGDLW-UONOGXRCSA-N 2 1 383.521 3.932 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000183152109 863488641 /nfs/dbraw/zinc/48/86/41/863488641.db2.gz WUULTMDWQXVJHV-GJZGRUSLSA-N 2 1 392.459 3.587 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2F)cc1 ZINC000183154528 863490066 /nfs/dbraw/zinc/49/00/66/863490066.db2.gz DRRGVNSFLJPXKV-INIZCTEOSA-N 2 1 380.467 3.629 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000606620656 863739988 /nfs/dbraw/zinc/73/99/88/863739988.db2.gz HZASEDCTIBISAH-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1CC([N@@H+]2CCCN(C(=O)C3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053028 863803183 /nfs/dbraw/zinc/80/31/83/863803183.db2.gz LYTLYGCCEPGPOL-PMACEKPBSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H]1CC([N@H+]2CCCN(C(=O)C3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053028 863803187 /nfs/dbraw/zinc/80/31/87/863803187.db2.gz LYTLYGCCEPGPOL-PMACEKPBSA-N 2 1 383.580 3.762 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177715115 863889005 /nfs/dbraw/zinc/88/90/05/863889005.db2.gz VEZSGKICXATMSU-FQEVSTJZSA-N 2 1 383.502 3.740 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](Oc3ncccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054680 863980305 /nfs/dbraw/zinc/98/03/05/863980305.db2.gz AHTCQOXABSAGPC-NPDDRXJXSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](Oc3ncccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054680 863980318 /nfs/dbraw/zinc/98/03/18/863980318.db2.gz AHTCQOXABSAGPC-NPDDRXJXSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3ncccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054680 863980326 /nfs/dbraw/zinc/98/03/26/863980326.db2.gz AHTCQOXABSAGPC-NPDDRXJXSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3ncccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054680 863980334 /nfs/dbraw/zinc/98/03/34/863980334.db2.gz AHTCQOXABSAGPC-NPDDRXJXSA-N 2 1 380.536 3.761 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000159109461 864035302 /nfs/dbraw/zinc/03/53/02/864035302.db2.gz FCGGKZADIAJYOL-SFHVURJKSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000480208662 864270335 /nfs/dbraw/zinc/27/03/35/864270335.db2.gz XBVBFYZBLWYIIH-OFNKIYASSA-N 2 1 391.559 3.645 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000554452056 864341011 /nfs/dbraw/zinc/34/10/11/864341011.db2.gz RCOZOJNYSIAYKB-QPTUXGOLSA-N 2 1 396.575 3.852 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000621751188 864397834 /nfs/dbraw/zinc/39/78/34/864397834.db2.gz BPCOHCYVKYCZBX-JTHBVZDNSA-N 2 1 377.532 3.986 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000856814099 881768036 /nfs/dbraw/zinc/76/80/36/881768036.db2.gz XRKZGCKMHISGOK-NSHGMRRFSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000856814099 881768044 /nfs/dbraw/zinc/76/80/44/881768044.db2.gz XRKZGCKMHISGOK-NSHGMRRFSA-N 2 1 375.557 3.932 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059286 864526193 /nfs/dbraw/zinc/52/61/93/864526193.db2.gz SWICFAWUROZUCU-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059286 864526199 /nfs/dbraw/zinc/52/61/99/864526199.db2.gz SWICFAWUROZUCU-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059286 864526201 /nfs/dbraw/zinc/52/62/01/864526201.db2.gz SWICFAWUROZUCU-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059286 864526207 /nfs/dbraw/zinc/52/62/07/864526207.db2.gz SWICFAWUROZUCU-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2Cl)C2CCCC2)CC1 ZINC000104960271 864719122 /nfs/dbraw/zinc/71/91/22/864719122.db2.gz IQVIORJXPPPJOD-UHFFFAOYSA-N 2 1 377.960 3.685 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2Cl)C2CCCC2)CC1 ZINC000104960271 864719133 /nfs/dbraw/zinc/71/91/33/864719133.db2.gz IQVIORJXPPPJOD-UHFFFAOYSA-N 2 1 377.960 3.685 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000166789800 864753509 /nfs/dbraw/zinc/75/35/09/864753509.db2.gz KWCJZLGZJDKMBV-DENIHFKCSA-N 2 1 380.536 3.820 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C)c1ccccc1 ZINC000554707134 864754413 /nfs/dbraw/zinc/75/44/13/864754413.db2.gz FCEURGSXDYBRPN-LEWJYISDSA-N 2 1 385.577 3.820 20 0 GHADMP Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nc(N)[nH+]1 ZINC000735490554 864826396 /nfs/dbraw/zinc/82/63/96/864826396.db2.gz UGKVWIXWYMEXFO-WMLDXEAASA-N 2 1 379.430 3.881 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000608007922 864899383 /nfs/dbraw/zinc/89/93/83/864899383.db2.gz VURJFXSRWNWDPL-DEOSSOPVSA-N 2 1 391.559 3.822 20 0 GHADMP CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480620970 864981343 /nfs/dbraw/zinc/98/13/43/864981343.db2.gz CTKCOXHWVGHOOV-HSZRJFAPSA-N 2 1 379.548 3.878 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000622460792 865008827 /nfs/dbraw/zinc/00/88/27/865008827.db2.gz YMDXJRVKPKOQSV-AOMIVXANSA-N 2 1 375.601 3.943 20 0 GHADMP O=C(NCc1c[nH+]c2n1CCCC2)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000671201391 865022525 /nfs/dbraw/zinc/02/25/25/865022525.db2.gz PCRAMLUUWFBOJP-UHFFFAOYSA-N 2 1 395.551 3.595 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000532361050 881840237 /nfs/dbraw/zinc/84/02/37/881840237.db2.gz WVWLQJUFFPDDIY-SFTDATJTSA-N 3 1 386.628 3.675 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCc2ccccc2C1 ZINC000171594268 865304018 /nfs/dbraw/zinc/30/40/18/865304018.db2.gz NHRSRZAPPBDXDE-FQEVSTJZSA-N 2 1 391.559 3.604 20 0 GHADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000301886361 865587449 /nfs/dbraw/zinc/58/74/49/865587449.db2.gz QBBOOMDSCHSQPL-SFHVURJKSA-N 2 1 397.519 3.694 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189521887 881895515 /nfs/dbraw/zinc/89/55/15/881895515.db2.gz HVZPGLQQJMDVFS-NVXWUHKLSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189521887 881895525 /nfs/dbraw/zinc/89/55/25/881895525.db2.gz HVZPGLQQJMDVFS-NVXWUHKLSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521887 881895543 /nfs/dbraw/zinc/89/55/43/881895543.db2.gz HVZPGLQQJMDVFS-NVXWUHKLSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521887 881895548 /nfs/dbraw/zinc/89/55/48/881895548.db2.gz HVZPGLQQJMDVFS-NVXWUHKLSA-N 2 1 376.438 3.888 20 0 GHADMP CC[NH+](CC)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccc(Cl)cc1 ZINC000622938368 865810086 /nfs/dbraw/zinc/81/00/86/865810086.db2.gz VKTHCHNPRHVULP-UHFFFAOYSA-N 2 1 397.910 3.909 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481164311 865901886 /nfs/dbraw/zinc/90/18/86/865901886.db2.gz GYIQWAYKWOBIIB-MDNUFGMLSA-N 2 1 382.548 3.543 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494563078 881918057 /nfs/dbraw/zinc/91/80/57/881918057.db2.gz HNFZLYAGSIMWTB-RBUKOAKNSA-N 2 1 380.458 3.913 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000481175084 865925075 /nfs/dbraw/zinc/92/50/75/865925075.db2.gz LRPMWEYQSRHXHM-RDPSFJRHSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000481175084 865925081 /nfs/dbraw/zinc/92/50/81/865925081.db2.gz LRPMWEYQSRHXHM-RDPSFJRHSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481177727 865933739 /nfs/dbraw/zinc/93/37/39/865933739.db2.gz UQBNTHZAYFVNHB-NLSIXXNJSA-N 2 1 395.591 3.572 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481177727 865933749 /nfs/dbraw/zinc/93/37/49/865933749.db2.gz UQBNTHZAYFVNHB-NLSIXXNJSA-N 2 1 395.591 3.572 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481185834 865953043 /nfs/dbraw/zinc/95/30/43/865953043.db2.gz FKYMWGXDZSRICB-ZRCGQRJVSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481185834 865953053 /nfs/dbraw/zinc/95/30/53/865953053.db2.gz FKYMWGXDZSRICB-ZRCGQRJVSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@](O)(CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12)C[NH+]1CCOCC1 ZINC000302873454 865966321 /nfs/dbraw/zinc/96/63/21/865966321.db2.gz CSHGHNHZZLCYSF-HSZRJFAPSA-N 2 1 393.487 3.522 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481199196 866022569 /nfs/dbraw/zinc/02/25/69/866022569.db2.gz PDNTWFBGCFXRDY-QPPBQGQZSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481199196 866022584 /nfs/dbraw/zinc/02/25/84/866022584.db2.gz PDNTWFBGCFXRDY-QPPBQGQZSA-N 2 1 393.575 3.924 20 0 GHADMP CN1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100311 866131174 /nfs/dbraw/zinc/13/11/74/866131174.db2.gz AHGDHKCLLJUQFS-RBUKOAKNSA-N 2 1 392.975 3.601 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100311 866131179 /nfs/dbraw/zinc/13/11/79/866131179.db2.gz AHGDHKCLLJUQFS-RBUKOAKNSA-N 2 1 392.975 3.601 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100311 866131187 /nfs/dbraw/zinc/13/11/87/866131187.db2.gz AHGDHKCLLJUQFS-RBUKOAKNSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100311 866131193 /nfs/dbraw/zinc/13/11/93/866131193.db2.gz AHGDHKCLLJUQFS-RBUKOAKNSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000534100311 866131200 /nfs/dbraw/zinc/13/12/00/866131200.db2.gz AHGDHKCLLJUQFS-RBUKOAKNSA-N 2 1 392.975 3.601 20 0 GHADMP CN1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100310 866131344 /nfs/dbraw/zinc/13/13/44/866131344.db2.gz AHGDHKCLLJUQFS-OALUTQOASA-N 2 1 392.975 3.601 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100310 866131351 /nfs/dbraw/zinc/13/13/51/866131351.db2.gz AHGDHKCLLJUQFS-OALUTQOASA-N 2 1 392.975 3.601 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100310 866131356 /nfs/dbraw/zinc/13/13/56/866131356.db2.gz AHGDHKCLLJUQFS-OALUTQOASA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100310 866131362 /nfs/dbraw/zinc/13/13/62/866131362.db2.gz AHGDHKCLLJUQFS-OALUTQOASA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100310 866131367 /nfs/dbraw/zinc/13/13/67/866131367.db2.gz AHGDHKCLLJUQFS-OALUTQOASA-N 2 1 392.975 3.601 20 0 GHADMP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475548135 866237361 /nfs/dbraw/zinc/23/73/61/866237361.db2.gz AUTAFVPXWVDXPM-QHCPKHFHSA-N 2 1 386.499 3.594 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1cccs1 ZINC000534228839 866297063 /nfs/dbraw/zinc/29/70/63/866297063.db2.gz KROTXZYUCRVYDI-LJQANCHMSA-N 2 1 397.588 3.913 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccs1 ZINC000534228839 866297084 /nfs/dbraw/zinc/29/70/84/866297084.db2.gz KROTXZYUCRVYDI-LJQANCHMSA-N 2 1 397.588 3.913 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000153280657 866321997 /nfs/dbraw/zinc/32/19/97/866321997.db2.gz FVGLYUDRXBSELW-NRFANRHFSA-N 2 1 389.971 3.594 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000478626701 866379157 /nfs/dbraw/zinc/37/91/57/866379157.db2.gz XSFYDOUMAANKAH-NFBKMPQASA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000478626701 866379159 /nfs/dbraw/zinc/37/91/59/866379159.db2.gz XSFYDOUMAANKAH-NFBKMPQASA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000478626701 866379175 /nfs/dbraw/zinc/37/91/75/866379175.db2.gz XSFYDOUMAANKAH-NFBKMPQASA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000478626701 866379209 /nfs/dbraw/zinc/37/92/09/866379209.db2.gz XSFYDOUMAANKAH-NFBKMPQASA-N 2 1 383.580 3.764 20 0 GHADMP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000189681530 881974795 /nfs/dbraw/zinc/97/47/95/881974795.db2.gz ZREJFSGAJKCIMA-RBBKRZOGSA-N 2 1 396.535 3.502 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428761972 866488579 /nfs/dbraw/zinc/48/85/79/866488579.db2.gz XXMGQPAQELZJLL-NXLVEIQXSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000620192840 866528361 /nfs/dbraw/zinc/52/83/61/866528361.db2.gz VFKQZYCNQKDOHD-JOCHJYFZSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857076851 881990931 /nfs/dbraw/zinc/99/09/31/881990931.db2.gz YDJSLNVPCDTLRZ-LEWJYISDSA-N 2 1 383.536 3.902 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153545888 866939474 /nfs/dbraw/zinc/93/94/74/866939474.db2.gz VSHWDFQMKOMHOM-OAQYLSRUSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367162467 867160547 /nfs/dbraw/zinc/16/05/47/867160547.db2.gz BOLJSQUVQNTUFG-VLCCKYJDSA-N 2 1 377.960 3.710 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000479182314 867296103 /nfs/dbraw/zinc/29/61/03/867296103.db2.gz CMWAHESZKUBOTJ-VGOFRKELSA-N 2 1 383.511 3.559 20 0 GHADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000154583225 867478596 /nfs/dbraw/zinc/47/85/96/867478596.db2.gz HLXJBZYOQYQCRM-RYQLBKOJSA-N 2 1 385.474 3.722 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000154953856 867679606 /nfs/dbraw/zinc/67/96/06/867679606.db2.gz LADSSWIEESCITD-HSZRJFAPSA-N 2 1 395.547 3.758 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000154953856 867679615 /nfs/dbraw/zinc/67/96/15/867679615.db2.gz LADSSWIEESCITD-HSZRJFAPSA-N 2 1 395.547 3.758 20 0 GHADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479454826 867789367 /nfs/dbraw/zinc/78/93/67/867789367.db2.gz MKTVULCYOGYJNY-LSDHHAIUSA-N 2 1 395.263 3.575 20 0 GHADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479454826 867789373 /nfs/dbraw/zinc/78/93/73/867789373.db2.gz MKTVULCYOGYJNY-LSDHHAIUSA-N 2 1 395.263 3.575 20 0 GHADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965205 867837209 /nfs/dbraw/zinc/83/72/09/867837209.db2.gz OBYZPFYANOJCSA-NHCUHLMSSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534966223 867840437 /nfs/dbraw/zinc/84/04/37/867840437.db2.gz JEJXRDYUVWVUAT-OAQYLSRUSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000479528744 867925517 /nfs/dbraw/zinc/92/55/17/867925517.db2.gz JTERTYDXGWAXQJ-PZJWPPBQSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000479528744 867925538 /nfs/dbraw/zinc/92/55/38/867925538.db2.gz JTERTYDXGWAXQJ-PZJWPPBQSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000479528744 867925557 /nfs/dbraw/zinc/92/55/57/867925557.db2.gz JTERTYDXGWAXQJ-PZJWPPBQSA-N 2 1 390.616 3.689 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674739 868022536 /nfs/dbraw/zinc/02/25/36/868022536.db2.gz XUKVRFLNXXCAAB-NFBKMPQASA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674739 868022570 /nfs/dbraw/zinc/02/25/70/868022570.db2.gz XUKVRFLNXXCAAB-NFBKMPQASA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674739 868022587 /nfs/dbraw/zinc/02/25/87/868022587.db2.gz XUKVRFLNXXCAAB-NFBKMPQASA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674739 868022601 /nfs/dbraw/zinc/02/26/01/868022601.db2.gz XUKVRFLNXXCAAB-NFBKMPQASA-N 2 1 387.612 3.550 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258897 882151362 /nfs/dbraw/zinc/15/13/62/882151362.db2.gz IYVQQRSNEUFVPZ-RBBKRZOGSA-N 2 1 383.511 3.668 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC000457470392 868358259 /nfs/dbraw/zinc/35/82/59/868358259.db2.gz DEPVQYIEQMCHJD-KRXYWNSISA-N 2 1 392.975 3.647 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553865677 868372491 /nfs/dbraw/zinc/37/24/91/868372491.db2.gz YVQBILRQPDBKSC-UYAOXDASSA-N 2 1 398.595 3.826 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+](C2CCC2)C1 ZINC000553865677 868372508 /nfs/dbraw/zinc/37/25/08/868372508.db2.gz YVQBILRQPDBKSC-UYAOXDASSA-N 2 1 398.595 3.826 20 0 GHADMP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190423285 882184815 /nfs/dbraw/zinc/18/48/15/882184815.db2.gz MEEXILRRMIKXDT-SFHVURJKSA-N 2 1 384.351 3.762 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000457661579 868594907 /nfs/dbraw/zinc/59/49/07/868594907.db2.gz STSXVNHERKPSBR-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000457661579 868594914 /nfs/dbraw/zinc/59/49/14/868594914.db2.gz STSXVNHERKPSBR-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000457661579 868594922 /nfs/dbraw/zinc/59/49/22/868594922.db2.gz STSXVNHERKPSBR-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)c1 ZINC000524135987 868615028 /nfs/dbraw/zinc/61/50/28/868615028.db2.gz ZSDNUVIMJSBCCF-UHFFFAOYSA-N 2 1 388.600 3.792 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)c2)C1 ZINC000857339264 882209777 /nfs/dbraw/zinc/20/97/77/882209777.db2.gz ODBLQQDCIBWRFV-PKTZIBPZSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)c2)C1 ZINC000857339264 882209792 /nfs/dbraw/zinc/20/97/92/882209792.db2.gz ODBLQQDCIBWRFV-PKTZIBPZSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)c2)C1 ZINC000857339264 882209809 /nfs/dbraw/zinc/20/98/09/882209809.db2.gz ODBLQQDCIBWRFV-PKTZIBPZSA-N 2 1 377.532 3.500 20 0 GHADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000479875445 868641502 /nfs/dbraw/zinc/64/15/02/868641502.db2.gz QQFBTRHRZZHVGY-OIBXWCBGSA-N 2 1 381.564 3.798 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000157532996 868679252 /nfs/dbraw/zinc/67/92/52/868679252.db2.gz TYQZKFVPNLBMCA-MOPGFXCFSA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000157532996 868679261 /nfs/dbraw/zinc/67/92/61/868679261.db2.gz TYQZKFVPNLBMCA-MOPGFXCFSA-N 2 1 397.567 3.701 20 0 GHADMP FC(F)(F)c1cnc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000181768714 869104943 /nfs/dbraw/zinc/10/49/43/869104943.db2.gz XWLCGEHSMCGCER-UONOGXRCSA-N 2 1 377.838 3.739 20 0 GHADMP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121815030 882293117 /nfs/dbraw/zinc/29/31/17/882293117.db2.gz YLNMXPPVMXOXTK-GOSISDBHSA-N 2 1 385.552 3.804 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000793606644 882318375 /nfs/dbraw/zinc/31/83/75/882318375.db2.gz WCMCAKZLZMETEU-SFHVURJKSA-N 2 1 375.557 3.586 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446263172 869647036 /nfs/dbraw/zinc/64/70/36/869647036.db2.gz ULVHAYPYCXSDHV-YCRNBWNJSA-N 2 1 396.535 3.526 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539825447 869833976 /nfs/dbraw/zinc/83/39/76/869833976.db2.gz SQZJAOMGTJFJOZ-ZJSXRUAMSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539825447 869833987 /nfs/dbraw/zinc/83/39/87/869833987.db2.gz SQZJAOMGTJFJOZ-ZJSXRUAMSA-N 2 1 393.575 3.723 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCC1CC[NH+](C2CC2)CC1 ZINC000446467305 869895564 /nfs/dbraw/zinc/89/55/64/869895564.db2.gz SQYDDJNRYOFWFX-UHFFFAOYSA-N 2 1 391.559 3.679 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000539874912 869947258 /nfs/dbraw/zinc/94/72/58/869947258.db2.gz VRAYDKPCNUNEIQ-OAQYLSRUSA-N 2 1 386.584 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446583688 870058733 /nfs/dbraw/zinc/05/87/33/870058733.db2.gz DUZLTFWBUTZHNF-VQTJNVASSA-N 2 1 394.563 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000133715337 882368309 /nfs/dbraw/zinc/36/83/09/882368309.db2.gz DXQNIBKBUOCZLO-KDOFPFPSSA-N 2 1 387.430 3.549 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000461472110 870257896 /nfs/dbraw/zinc/25/78/96/870257896.db2.gz KJOPDDYYTXVRSU-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000461472110 870257908 /nfs/dbraw/zinc/25/79/08/870257908.db2.gz KJOPDDYYTXVRSU-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000248042205 870270735 /nfs/dbraw/zinc/27/07/35/870270735.db2.gz TXNDCVUNURRAOK-AGILITTLSA-N 2 1 380.580 3.965 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000248042205 870270764 /nfs/dbraw/zinc/27/07/64/870270764.db2.gz TXNDCVUNURRAOK-AGILITTLSA-N 2 1 380.580 3.965 20 0 GHADMP CCc1ccccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248391575 870359003 /nfs/dbraw/zinc/35/90/03/870359003.db2.gz DFOPJQCZXLQLRQ-HROJSSOGSA-N 2 1 379.548 3.934 20 0 GHADMP CCc1ccccc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248391575 870359029 /nfs/dbraw/zinc/35/90/29/870359029.db2.gz DFOPJQCZXLQLRQ-HROJSSOGSA-N 2 1 379.548 3.934 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000248430320 870411479 /nfs/dbraw/zinc/41/14/79/870411479.db2.gz BPWIZRINPPGOKQ-KDOFPFPSSA-N 2 1 378.438 3.911 20 0 GHADMP CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001192481935 870455612 /nfs/dbraw/zinc/45/56/12/870455612.db2.gz RQBPOOJSPSPQJJ-YLJYHZDGSA-N 2 1 391.987 3.961 20 0 GHADMP CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001192481935 870455622 /nfs/dbraw/zinc/45/56/22/870455622.db2.gz RQBPOOJSPSPQJJ-YLJYHZDGSA-N 2 1 391.987 3.961 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000248525271 870473246 /nfs/dbraw/zinc/47/32/46/870473246.db2.gz UHGGTJMWXCUBGU-DZFGPLHGSA-N 2 1 389.565 3.511 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248542100 870481247 /nfs/dbraw/zinc/48/12/47/870481247.db2.gz BWODLBUTBNUIIL-KNBMTAEXSA-N 2 1 384.486 3.851 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248554884 870489520 /nfs/dbraw/zinc/48/95/20/870489520.db2.gz HUKDCWWDOWNRNU-YRNRMSPPSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248554884 870489525 /nfs/dbraw/zinc/48/95/25/870489525.db2.gz HUKDCWWDOWNRNU-YRNRMSPPSA-N 2 1 375.944 3.688 20 0 GHADMP CC(C)[C@H](CNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248589210 870520212 /nfs/dbraw/zinc/52/02/12/870520212.db2.gz QUKKDCWENVTBLI-RRPUWOKSSA-N 2 1 385.596 3.785 20 0 GHADMP CC(C)[C@H](CNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248589210 870520224 /nfs/dbraw/zinc/52/02/24/870520224.db2.gz QUKKDCWENVTBLI-RRPUWOKSSA-N 2 1 385.596 3.785 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538762787 870606038 /nfs/dbraw/zinc/60/60/38/870606038.db2.gz JUDAOIUOLFKRBD-HSZRJFAPSA-N 2 1 395.595 3.596 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000540192946 870689831 /nfs/dbraw/zinc/68/98/31/870689831.db2.gz VFWRNJCGGZMTON-IBGZPJMESA-N 2 1 381.358 3.991 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1)CC(C)C ZINC000540199568 870710953 /nfs/dbraw/zinc/71/09/53/870710953.db2.gz XQNDYFDRQGCIFN-UHFFFAOYSA-N 2 1 398.595 3.703 20 0 GHADMP C[C@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000461698069 870752922 /nfs/dbraw/zinc/75/29/22/870752922.db2.gz KDZRHJXVKFWFOA-OXJNMPFZSA-N 2 1 399.501 3.534 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001192902100 870758978 /nfs/dbraw/zinc/75/89/78/870758978.db2.gz RAFBACYUUPUXEP-PZJWPPBQSA-N 2 1 390.591 3.881 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001192902100 870758988 /nfs/dbraw/zinc/75/89/88/870758988.db2.gz RAFBACYUUPUXEP-PZJWPPBQSA-N 2 1 390.591 3.881 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831285 870886944 /nfs/dbraw/zinc/88/69/44/870886944.db2.gz BNKNXTLJQBPQTD-VQIMIIECSA-N 2 1 391.531 3.559 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000249955419 870930749 /nfs/dbraw/zinc/93/07/49/870930749.db2.gz VTIVITJAXVEAGJ-YOEHRIQHSA-N 2 1 387.387 3.788 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000463144348 870970135 /nfs/dbraw/zinc/97/01/35/870970135.db2.gz AMHYSESOWNZTAV-LJQANCHMSA-N 2 1 382.548 3.932 20 0 GHADMP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)c1 ZINC000463138014 870990690 /nfs/dbraw/zinc/99/06/90/870990690.db2.gz NWGOVPPYPACDSG-KWOQKUFVSA-N 2 1 381.564 3.941 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000447094881 871014891 /nfs/dbraw/zinc/01/48/91/871014891.db2.gz AUJQACQMOQHNFH-JKFKMHIGSA-N 2 1 398.522 3.899 20 0 GHADMP COc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000174409093 882467517 /nfs/dbraw/zinc/46/75/17/882467517.db2.gz UUOMDWBRJPXAHD-HXUWFJFHSA-N 2 1 380.532 3.953 20 0 GHADMP Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(N2CCOCC2)c1 ZINC000463204848 871134105 /nfs/dbraw/zinc/13/41/05/871134105.db2.gz LFQPPZCPNQFZHS-UHFFFAOYSA-N 2 1 393.575 3.628 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000251514069 871144993 /nfs/dbraw/zinc/14/49/93/871144993.db2.gz JAISLOCNENVASQ-FGCOXFRFSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000251514069 871145002 /nfs/dbraw/zinc/14/50/02/871145002.db2.gz JAISLOCNENVASQ-FGCOXFRFSA-N 2 1 391.559 3.850 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000463200602 871169122 /nfs/dbraw/zinc/16/91/22/871169122.db2.gz BZHPWZHVLDUNAS-UARRHKHWSA-N 2 1 386.580 3.683 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccccc3Br)CCOCC1)C2 ZINC001169117839 871208834 /nfs/dbraw/zinc/20/88/34/871208834.db2.gz AJEMZPSKCRJOOL-BCDXTJNWSA-N 2 1 393.369 3.756 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539043102 871215953 /nfs/dbraw/zinc/21/59/53/871215953.db2.gz QCYSFKGPHXFXDP-IFMALSPDSA-N 2 1 378.564 3.941 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169109185 871233178 /nfs/dbraw/zinc/23/31/78/871233178.db2.gz ZVBLVMLQHVRAKL-JQCUPLDDSA-N 2 1 382.589 3.705 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109185 871233195 /nfs/dbraw/zinc/23/31/95/871233195.db2.gz ZVBLVMLQHVRAKL-JQCUPLDDSA-N 2 1 382.589 3.705 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109185 871233215 /nfs/dbraw/zinc/23/32/15/871233215.db2.gz ZVBLVMLQHVRAKL-JQCUPLDDSA-N 2 1 382.589 3.705 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3Br)CCOCC1)C2 ZINC001169109320 871236096 /nfs/dbraw/zinc/23/60/96/871236096.db2.gz ASUZUHPXVQYPFV-OSYLJGHBSA-N 2 1 393.369 3.712 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000539066644 871240973 /nfs/dbraw/zinc/24/09/73/871240973.db2.gz PIYUMUFFZDGGSH-RISCZKNCSA-N 2 1 395.263 3.777 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1)CC(C)C ZINC000539096172 871306458 /nfs/dbraw/zinc/30/64/58/871306458.db2.gz BFVOLTXVQGCQMO-UHFFFAOYSA-N 2 1 390.597 3.644 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463272948 871343280 /nfs/dbraw/zinc/34/32/80/871343280.db2.gz WBLMSWBKLHNJRN-NLFFAJNJSA-N 2 1 395.566 3.943 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)CC1 ZINC001169254896 871353339 /nfs/dbraw/zinc/35/33/39/871353339.db2.gz KATYORIOLMPUDU-UHFFFAOYSA-N 2 1 393.575 3.524 20 0 GHADMP Cc1c(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nc2ccccc12 ZINC000525779416 871423604 /nfs/dbraw/zinc/42/36/04/871423604.db2.gz IKQKMGWXOFQWMC-GOSISDBHSA-N 2 1 386.971 3.797 20 0 GHADMP Cc1c(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)nc2ccccc12 ZINC000525779416 871423606 /nfs/dbraw/zinc/42/36/06/871423606.db2.gz IKQKMGWXOFQWMC-GOSISDBHSA-N 2 1 386.971 3.797 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4cccc(N5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000550857475 882518934 /nfs/dbraw/zinc/51/89/34/882518934.db2.gz UHOMKROZFHAHEN-CAOCKLPOSA-N 2 1 391.559 3.523 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000525821139 871496378 /nfs/dbraw/zinc/49/63/78/871496378.db2.gz WAKQHCWURYXSLW-UHFFFAOYSA-N 2 1 387.337 3.911 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001194222327 871566418 /nfs/dbraw/zinc/56/64/18/871566418.db2.gz QYAJOCGQLAWNAZ-RDPSFJRHSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC=C(c2ccccc2)C1 ZINC001194222327 871566435 /nfs/dbraw/zinc/56/64/35/871566435.db2.gz QYAJOCGQLAWNAZ-RDPSFJRHSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC=C(c2ccccc2)C1 ZINC001194222327 871566456 /nfs/dbraw/zinc/56/64/56/871566456.db2.gz QYAJOCGQLAWNAZ-RDPSFJRHSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC=C(c2ccccc2)C1 ZINC001194222327 871566475 /nfs/dbraw/zinc/56/64/75/871566475.db2.gz QYAJOCGQLAWNAZ-RDPSFJRHSA-N 2 1 389.543 3.555 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000775604238 871783884 /nfs/dbraw/zinc/78/38/84/871783884.db2.gz LYSJUNKBIOENDL-QHCPKHFHSA-N 2 1 379.548 3.761 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001169727400 871801699 /nfs/dbraw/zinc/80/16/99/871801699.db2.gz ABHFJPBUMKPOHB-AGILITTLSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001169727400 871801712 /nfs/dbraw/zinc/80/17/12/871801712.db2.gz ABHFJPBUMKPOHB-AGILITTLSA-N 2 1 391.559 3.934 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000552044048 871925166 /nfs/dbraw/zinc/92/51/66/871925166.db2.gz NHIKZQTWYCCHBN-XQUALCHDSA-N 2 1 386.580 3.710 20 0 GHADMP C[C@@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[NH+]1CCCC1 ZINC000494594396 882562871 /nfs/dbraw/zinc/56/28/71/882562871.db2.gz IYBBOHMCZASICR-INIZCTEOSA-N 2 1 380.458 3.772 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3C[C@@H](c4ccccc4)C3(C)C)cc2)CC1 ZINC000463554121 872018875 /nfs/dbraw/zinc/01/88/75/872018875.db2.gz XUOZLYCEGMDKHC-GOTSBHOMSA-N 2 1 391.559 3.746 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182226145 872074948 /nfs/dbraw/zinc/07/49/48/872074948.db2.gz SKKWJLZSVJRYLT-PKTZIBPZSA-N 2 1 380.532 3.819 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000775633478 872154576 /nfs/dbraw/zinc/15/45/76/872154576.db2.gz PFZGZKQHXNLDPA-MOPGFXCFSA-N 2 1 382.495 3.984 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000477917311 872176315 /nfs/dbraw/zinc/17/63/15/872176315.db2.gz GQARIRDENKCBQB-ZPMCFJSWSA-N 2 1 387.543 3.559 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@H](C)C1 ZINC000447732819 872219308 /nfs/dbraw/zinc/21/93/08/872219308.db2.gz YCHVEUTVTNUBNB-GCJKJVERSA-N 2 1 383.536 3.831 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@H](C)C1 ZINC000447732819 872219327 /nfs/dbraw/zinc/21/93/27/872219327.db2.gz YCHVEUTVTNUBNB-GCJKJVERSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@H](C)C1 ZINC000447732819 872219344 /nfs/dbraw/zinc/21/93/44/872219344.db2.gz YCHVEUTVTNUBNB-GCJKJVERSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@H](C)C1 ZINC000447732819 872219362 /nfs/dbraw/zinc/21/93/62/872219362.db2.gz YCHVEUTVTNUBNB-GCJKJVERSA-N 2 1 383.536 3.831 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037413 872351362 /nfs/dbraw/zinc/35/13/62/872351362.db2.gz QBNPXLCYNPSRJB-REWPJTCUSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037413 872351371 /nfs/dbraw/zinc/35/13/71/872351371.db2.gz QBNPXLCYNPSRJB-REWPJTCUSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037413 872351388 /nfs/dbraw/zinc/35/13/88/872351388.db2.gz QBNPXLCYNPSRJB-REWPJTCUSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037413 872351403 /nfs/dbraw/zinc/35/14/03/872351403.db2.gz QBNPXLCYNPSRJB-REWPJTCUSA-N 2 1 382.548 3.757 20 0 GHADMP CC[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818819 872439825 /nfs/dbraw/zinc/43/98/25/872439825.db2.gz CFPRTBRCDUFLDA-HXUWFJFHSA-N 2 1 375.520 3.816 20 0 GHADMP CC[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818819 872439837 /nfs/dbraw/zinc/43/98/37/872439837.db2.gz CFPRTBRCDUFLDA-HXUWFJFHSA-N 2 1 375.520 3.816 20 0 GHADMP CC[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818819 872439850 /nfs/dbraw/zinc/43/98/50/872439850.db2.gz CFPRTBRCDUFLDA-HXUWFJFHSA-N 2 1 375.520 3.816 20 0 GHADMP CC[N@@H+](CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000152763969 872854671 /nfs/dbraw/zinc/85/46/71/872854671.db2.gz WWBQATUSFWTJQE-OXQOHEQNSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000152763969 872854680 /nfs/dbraw/zinc/85/46/80/872854680.db2.gz WWBQATUSFWTJQE-OXQOHEQNSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000152763969 872854694 /nfs/dbraw/zinc/85/46/94/872854694.db2.gz WWBQATUSFWTJQE-OXQOHEQNSA-N 2 1 397.485 3.689 20 0 GHADMP Cc1ccc(-c2ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc2F)cc1Cl ZINC001196081961 872869019 /nfs/dbraw/zinc/86/90/19/872869019.db2.gz UKAKMUHGTOGCLW-UHFFFAOYSA-N 2 1 376.863 3.529 20 0 GHADMP CC(C)[NH+]1CCC(Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)CC1 ZINC000541090937 872900008 /nfs/dbraw/zinc/90/00/08/872900008.db2.gz XAXCVKKUSBKLJF-KRWDZBQOSA-N 2 1 390.547 3.923 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196457696 873141028 /nfs/dbraw/zinc/14/10/28/873141028.db2.gz DXJKBYRZIYVLLN-ZLNRFVROSA-N 2 1 380.532 3.834 20 0 GHADMP CC[NH+](CC)CCCNC(=S)N1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001196673606 873302998 /nfs/dbraw/zinc/30/29/98/873302998.db2.gz LLHCSTWDSYONIU-UHFFFAOYSA-N 2 1 390.641 3.579 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196782821 873356514 /nfs/dbraw/zinc/35/65/14/873356514.db2.gz VOAPVAJTDJUQEH-CFVMTHIKSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196782821 873356526 /nfs/dbraw/zinc/35/65/26/873356526.db2.gz VOAPVAJTDJUQEH-CFVMTHIKSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196782821 873356534 /nfs/dbraw/zinc/35/65/34/873356534.db2.gz VOAPVAJTDJUQEH-CFVMTHIKSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196782821 873356543 /nfs/dbraw/zinc/35/65/43/873356543.db2.gz VOAPVAJTDJUQEH-CFVMTHIKSA-N 2 1 380.414 3.700 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1)C1CC1 ZINC000448448726 873399098 /nfs/dbraw/zinc/39/90/98/873399098.db2.gz NYKRBPDSRNCKCL-NZQKXSOJSA-N 2 1 381.564 3.760 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1)C1CC1 ZINC000448448726 873399109 /nfs/dbraw/zinc/39/91/09/873399109.db2.gz NYKRBPDSRNCKCL-NZQKXSOJSA-N 2 1 381.564 3.760 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1)C1CC1 ZINC000448448726 873399128 /nfs/dbraw/zinc/39/91/28/873399128.db2.gz NYKRBPDSRNCKCL-NZQKXSOJSA-N 2 1 381.564 3.760 20 0 GHADMP Cc1[nH+]c2ccccc2c(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000541349865 873411067 /nfs/dbraw/zinc/41/10/67/873411067.db2.gz AXOFQJWWBUXUAS-HDICACEKSA-N 2 1 397.563 3.946 20 0 GHADMP Cc1[nH+]c2ccccc2c(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000541349865 873411076 /nfs/dbraw/zinc/41/10/76/873411076.db2.gz AXOFQJWWBUXUAS-HDICACEKSA-N 2 1 397.563 3.946 20 0 GHADMP COc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(C(F)(F)F)c1 ZINC000527668830 873429886 /nfs/dbraw/zinc/42/98/86/873429886.db2.gz DEXRKLQIBLCIOL-UHFFFAOYSA-N 2 1 394.441 3.879 20 0 GHADMP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000768678331 873449655 /nfs/dbraw/zinc/44/96/55/873449655.db2.gz NJFVXWOEIGGIHD-AABGKKOBSA-N 2 1 397.604 3.645 20 0 GHADMP CC(C)Oc1cc(Cl)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000527654923 873450826 /nfs/dbraw/zinc/45/08/26/873450826.db2.gz WZJRWJNHCPKHHP-UHFFFAOYSA-N 2 1 388.383 3.898 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000541398938 873513475 /nfs/dbraw/zinc/51/34/75/873513475.db2.gz RAADCPYYLGUZBG-QWFCFKBJSA-N 2 1 386.584 3.872 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000541398938 873513481 /nfs/dbraw/zinc/51/34/81/873513481.db2.gz RAADCPYYLGUZBG-QWFCFKBJSA-N 2 1 386.584 3.872 20 0 GHADMP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000527717535 873523974 /nfs/dbraw/zinc/52/39/74/873523974.db2.gz VPLVKYNFROEIJH-XZOQPEGZSA-N 2 1 383.580 3.525 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197032448 873554948 /nfs/dbraw/zinc/55/49/48/873554948.db2.gz QYOCXFXOOAWSTA-MUKFEANQSA-N 2 1 377.573 3.581 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197032448 873554952 /nfs/dbraw/zinc/55/49/52/873554952.db2.gz QYOCXFXOOAWSTA-MUKFEANQSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197032448 873554957 /nfs/dbraw/zinc/55/49/57/873554957.db2.gz QYOCXFXOOAWSTA-MUKFEANQSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197032448 873554963 /nfs/dbraw/zinc/55/49/63/873554963.db2.gz QYOCXFXOOAWSTA-MUKFEANQSA-N 2 1 377.573 3.581 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197167397 873633629 /nfs/dbraw/zinc/63/36/29/873633629.db2.gz HOLMPCZYJDHSGB-MOPGFXCFSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197167397 873633633 /nfs/dbraw/zinc/63/36/33/873633633.db2.gz HOLMPCZYJDHSGB-MOPGFXCFSA-N 2 1 376.545 3.693 20 0 GHADMP CC[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000527855451 873673804 /nfs/dbraw/zinc/67/38/04/873673804.db2.gz XXVQMKAUQBXFMO-HSZRJFAPSA-N 2 1 379.548 3.575 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+]1CCCCC1 ZINC000541519949 873764959 /nfs/dbraw/zinc/76/49/59/873764959.db2.gz MSMRSEUBXBPTCB-SFTDATJTSA-N 2 1 392.632 3.937 20 0 GHADMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC1 ZINC000528203300 874212465 /nfs/dbraw/zinc/21/24/65/874212465.db2.gz OEWPHDWDBSUCNN-OAQYLSRUSA-N 2 1 391.987 3.883 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC1 ZINC000528203300 874212475 /nfs/dbraw/zinc/21/24/75/874212475.db2.gz OEWPHDWDBSUCNN-OAQYLSRUSA-N 2 1 391.987 3.883 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528203300 874212484 /nfs/dbraw/zinc/21/24/84/874212484.db2.gz OEWPHDWDBSUCNN-OAQYLSRUSA-N 2 1 391.987 3.883 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528203300 874212491 /nfs/dbraw/zinc/21/24/91/874212491.db2.gz OEWPHDWDBSUCNN-OAQYLSRUSA-N 2 1 391.987 3.883 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000769689513 874234081 /nfs/dbraw/zinc/23/40/81/874234081.db2.gz RVSMCPCSVXFYNG-ROUUACIJSA-N 2 1 397.604 3.691 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000769836788 874318082 /nfs/dbraw/zinc/31/80/82/874318082.db2.gz VIUTYPXWOBIVNW-UHFFFAOYSA-N 2 1 381.442 3.974 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@H]1C1OCCO1)c1ccccc1 ZINC001198269892 874339390 /nfs/dbraw/zinc/33/93/90/874339390.db2.gz FZQDKRAEXPYRGC-GOTSBHOMSA-N 2 1 380.532 3.740 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269895 874339459 /nfs/dbraw/zinc/33/94/59/874339459.db2.gz FZQDKRAEXPYRGC-XZOQPEGZSA-N 2 1 380.532 3.740 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC001198457693 874413139 /nfs/dbraw/zinc/41/31/39/874413139.db2.gz HXKCUBRDNZQGQA-FCHUYYIVSA-N 2 1 383.580 3.540 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC001198457693 874413144 /nfs/dbraw/zinc/41/31/44/874413144.db2.gz HXKCUBRDNZQGQA-FCHUYYIVSA-N 2 1 383.580 3.540 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC001198457693 874413151 /nfs/dbraw/zinc/41/31/51/874413151.db2.gz HXKCUBRDNZQGQA-FCHUYYIVSA-N 2 1 383.580 3.540 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449047051 874414320 /nfs/dbraw/zinc/41/43/20/874414320.db2.gz MQCMIMCHCMWRER-CCKFTAQKSA-N 2 1 375.513 3.633 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449047051 874414326 /nfs/dbraw/zinc/41/43/26/874414326.db2.gz MQCMIMCHCMWRER-CCKFTAQKSA-N 2 1 375.513 3.633 20 0 GHADMP C[C@@H](Cc1coc2ccccc12)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000449081014 874462465 /nfs/dbraw/zinc/46/24/65/874462465.db2.gz BAIWZHUUTVEQOF-SFHVURJKSA-N 2 1 391.515 3.541 20 0 GHADMP c1c2cccnc2oc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000449090178 874487875 /nfs/dbraw/zinc/48/78/75/874487875.db2.gz MHGYNCSZLJJTAD-UHFFFAOYSA-N 2 1 378.520 3.515 20 0 GHADMP C[C@H](C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093581 874495189 /nfs/dbraw/zinc/49/51/89/874495189.db2.gz PCUKQHYJXHGXRO-FGTMMUONSA-N 2 1 380.598 3.540 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc3cccnc3o2)c1)C1CCOCC1 ZINC000449114450 874523123 /nfs/dbraw/zinc/52/31/23/874523123.db2.gz CSANPBUWPXYJOD-UHFFFAOYSA-N 2 1 395.503 3.607 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235083 874601548 /nfs/dbraw/zinc/60/15/48/874601548.db2.gz SRQRNUFBJKPWIZ-HKUYNNGSSA-N 2 1 390.449 3.838 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235083 874601555 /nfs/dbraw/zinc/60/15/55/874601555.db2.gz SRQRNUFBJKPWIZ-HKUYNNGSSA-N 2 1 390.449 3.838 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cc(F)cc(Br)c3)CC2)nc(C)[nH+]1 ZINC000449224806 874615174 /nfs/dbraw/zinc/61/51/74/874615174.db2.gz MXBRGNYKLOTKKH-UHFFFAOYSA-N 2 1 393.304 3.754 20 0 GHADMP CCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000541952753 874622688 /nfs/dbraw/zinc/62/26/88/874622688.db2.gz ZDPUDKSKWOSTQB-OAHLLOKOSA-N 2 1 382.533 3.772 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000449329894 874715149 /nfs/dbraw/zinc/71/51/49/874715149.db2.gz QOXCNBCWPAHLTF-HXUWFJFHSA-N 2 1 378.564 3.867 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000464894837 874734532 /nfs/dbraw/zinc/73/45/32/874734532.db2.gz PRCUFTAAMZOWGJ-XUZZJYLKSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000464894837 874734536 /nfs/dbraw/zinc/73/45/36/874734536.db2.gz PRCUFTAAMZOWGJ-XUZZJYLKSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000464894837 874734546 /nfs/dbraw/zinc/73/45/46/874734546.db2.gz PRCUFTAAMZOWGJ-XUZZJYLKSA-N 2 1 391.559 3.774 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C3(C2)CCOCC3)cc1 ZINC000449346117 874739945 /nfs/dbraw/zinc/73/99/45/874739945.db2.gz YJUJDFRLTVYXMP-YADHBBJMSA-N 2 1 384.564 3.607 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cccc2C1 ZINC001199345404 874915178 /nfs/dbraw/zinc/91/51/78/874915178.db2.gz RBTKPXJPILDYEO-RTWAWAEBSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cccc2C1 ZINC001199345404 874915190 /nfs/dbraw/zinc/91/51/90/874915190.db2.gz RBTKPXJPILDYEO-RTWAWAEBSA-N 2 1 385.552 3.696 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC001199329275 874928453 /nfs/dbraw/zinc/92/84/53/874928453.db2.gz PMSDOVLVOWHVFZ-GASCZTMLSA-N 2 1 397.357 3.678 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC001199329275 874928458 /nfs/dbraw/zinc/92/84/58/874928458.db2.gz PMSDOVLVOWHVFZ-GASCZTMLSA-N 2 1 397.357 3.678 20 0 GHADMP CCN1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542106823 874968546 /nfs/dbraw/zinc/96/85/46/874968546.db2.gz VQVGKPJQQSEERP-FPOVZHCZSA-N 2 1 381.486 3.703 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000550932935 882882557 /nfs/dbraw/zinc/88/25/57/882882557.db2.gz YEEUIGAHPUUIRD-VQXXODRUSA-N 2 1 387.959 3.914 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H](c5ccncc5)C4)[C@@H]3C2)cc1 ZINC000449532803 875015046 /nfs/dbraw/zinc/01/50/46/875015046.db2.gz DQHGZICQVVRKRZ-JTKSJCOOSA-N 2 1 377.532 3.802 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000449557648 875044185 /nfs/dbraw/zinc/04/41/85/875044185.db2.gz WAFMMYSVDUVSFU-LJQANCHMSA-N 2 1 375.520 3.530 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C)CCC(F)(F)CC1 ZINC000528801106 875076131 /nfs/dbraw/zinc/07/61/31/875076131.db2.gz QCKOVKLIRRLUHD-UHFFFAOYSA-N 2 1 399.570 3.857 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3OCC(F)F)c2)CCO1 ZINC001199668352 875113936 /nfs/dbraw/zinc/11/39/36/875113936.db2.gz YEYZQMIUQJQOCE-QGZVFWFLSA-N 2 1 390.474 3.841 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3OCC(F)F)c2)CCO1 ZINC001199668352 875113939 /nfs/dbraw/zinc/11/39/39/875113939.db2.gz YEYZQMIUQJQOCE-QGZVFWFLSA-N 2 1 390.474 3.841 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001199934268 875249797 /nfs/dbraw/zinc/24/97/97/875249797.db2.gz RNNCIJFHWXTFOV-QFIPXVFZSA-N 2 1 399.510 3.650 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001199934268 875249806 /nfs/dbraw/zinc/24/98/06/875249806.db2.gz RNNCIJFHWXTFOV-QFIPXVFZSA-N 2 1 399.510 3.650 20 0 GHADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000105443245 875297624 /nfs/dbraw/zinc/29/76/24/875297624.db2.gz FUBVGFJNRMWIGS-CYBMUJFWSA-N 2 1 375.879 3.904 20 0 GHADMP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000465199484 875309902 /nfs/dbraw/zinc/30/99/02/875309902.db2.gz XSKPOZRTDOLFKI-PGRDOPGGSA-N 2 1 381.520 3.649 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000465199484 875309921 /nfs/dbraw/zinc/30/99/21/875309921.db2.gz XSKPOZRTDOLFKI-PGRDOPGGSA-N 2 1 381.520 3.649 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000542361518 875430349 /nfs/dbraw/zinc/43/03/49/875430349.db2.gz AJGRLQYTBLVGMQ-SFTDATJTSA-N 2 1 398.595 3.970 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000542361516 875430438 /nfs/dbraw/zinc/43/04/38/875430438.db2.gz AJGRLQYTBLVGMQ-NHCUHLMSSA-N 2 1 398.595 3.970 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001201415347 875677631 /nfs/dbraw/zinc/67/76/31/875677631.db2.gz BWRSGGOTHVSTFE-PDIWNELESA-N 2 1 391.575 3.775 20 0 GHADMP c1ccc(COc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000776174653 875691795 /nfs/dbraw/zinc/69/17/95/875691795.db2.gz QHBAAQVUUPTIKG-DEOSSOPVSA-N 2 1 380.532 3.999 20 0 GHADMP C[NH+]1CCC(n2cc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CC1 ZINC001201475736 875729695 /nfs/dbraw/zinc/72/96/95/875729695.db2.gz UZXDUJRDLKGKNB-PKTZIBPZSA-N 2 1 377.536 3.883 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc(Br)c1OC(F)F ZINC000491592003 875824135 /nfs/dbraw/zinc/82/41/35/875824135.db2.gz QICGUZOXHPENPU-LLVKDONJSA-N 2 1 395.288 3.737 20 0 GHADMP CC[C@@H]1C[C@@H](C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CCO1 ZINC001201742673 875838284 /nfs/dbraw/zinc/83/82/84/875838284.db2.gz RZYOLALFKGVOPL-PABCKOPISA-N 2 1 388.596 3.991 20 0 GHADMP Cc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC001202377952 876174298 /nfs/dbraw/zinc/17/42/98/876174298.db2.gz LJUCVABXZUATNF-ZDUSSCGKSA-N 2 1 375.344 3.695 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000173749541 876606502 /nfs/dbraw/zinc/60/65/02/876606502.db2.gz JVCFFTFCSNXZTI-NNMXDRDESA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000173749541 876606512 /nfs/dbraw/zinc/60/65/12/876606512.db2.gz JVCFFTFCSNXZTI-NNMXDRDESA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000173749541 876606522 /nfs/dbraw/zinc/60/65/22/876606522.db2.gz JVCFFTFCSNXZTI-NNMXDRDESA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2C1 ZINC000850035975 876620150 /nfs/dbraw/zinc/62/01/50/876620150.db2.gz BZYSRNZMEHTHBF-UHFFFAOYSA-N 2 1 399.579 3.944 20 0 GHADMP CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000174038531 876791028 /nfs/dbraw/zinc/79/10/28/876791028.db2.gz NXCKQTRKRJULCF-KRWDZBQOSA-N 2 1 395.638 3.637 20 0 GHADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000174135556 876853358 /nfs/dbraw/zinc/85/33/58/876853358.db2.gz AKXXROCPQTTYJD-UHFFFAOYSA-N 2 1 397.519 3.826 20 0 GHADMP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(C)n1 ZINC000850397686 876878661 /nfs/dbraw/zinc/87/86/61/876878661.db2.gz HZEAVKHPBXCRRH-QPPBQGQZSA-N 2 1 380.580 3.736 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000174228712 876912544 /nfs/dbraw/zinc/91/25/44/876912544.db2.gz JLBZDAVYVHZHEG-CEMLEFRQSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786804533 876963781 /nfs/dbraw/zinc/96/37/81/876963781.db2.gz MDZSXVLGRDEXKJ-SFHVURJKSA-N 2 1 380.536 3.907 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)CCCO2 ZINC000850508789 876980398 /nfs/dbraw/zinc/98/03/98/876980398.db2.gz OFERLHVTFQUYOX-PKTZIBPZSA-N 2 1 380.532 3.819 20 0 GHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000850573137 877038289 /nfs/dbraw/zinc/03/82/89/877038289.db2.gz JJIVMLUNRVHMHG-QHAWAJNXSA-N 2 1 380.960 3.631 20 0 GHADMP Clc1ccc(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000450980063 877179105 /nfs/dbraw/zinc/17/91/05/877179105.db2.gz CZOYQQVWVYADCV-HSZRJFAPSA-N 2 1 383.967 3.775 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000477268030 877340112 /nfs/dbraw/zinc/34/01/12/877340112.db2.gz VLMSXFQBVZRYPC-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cn4cc(C)ccc4n3)CC2)cs1 ZINC000551535926 877401070 /nfs/dbraw/zinc/40/10/70/877401070.db2.gz CSCBQQQKAOQGPX-UHFFFAOYSA-N 2 1 383.565 3.663 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996743 877431384 /nfs/dbraw/zinc/43/13/84/877431384.db2.gz CZKSAJYJSSUTGH-KRWDZBQOSA-N 2 1 389.341 3.708 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000175398703 877682271 /nfs/dbraw/zinc/68/22/71/877682271.db2.gz NQBFRYCFAPOHPF-LJQANCHMSA-N 2 1 397.567 3.703 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000175398703 877682275 /nfs/dbraw/zinc/68/22/75/877682275.db2.gz NQBFRYCFAPOHPF-LJQANCHMSA-N 2 1 397.567 3.703 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC[C@@H]21 ZINC000138028816 877723352 /nfs/dbraw/zinc/72/33/52/877723352.db2.gz OCSYCLAQOCZQBF-PKTZIBPZSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334571 877820710 /nfs/dbraw/zinc/82/07/10/877820710.db2.gz CDRRZYDPFFFHPU-PQZIIDKGSA-N 2 1 392.628 3.654 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1)C(C)C ZINC000110123147 877861428 /nfs/dbraw/zinc/86/14/28/877861428.db2.gz HLRCFSOLQZTOGN-UHFFFAOYSA-N 2 1 394.563 3.921 20 0 GHADMP CC(C)[NH+](CCCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)C ZINC000175791223 877902647 /nfs/dbraw/zinc/90/26/47/877902647.db2.gz RKOFARWRNDEFCD-UHFFFAOYSA-N 2 1 392.613 3.866 20 0 GHADMP Cc1cc(N2CCC[C@H](OC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)nc(C)[nH+]1 ZINC000788190895 877935834 /nfs/dbraw/zinc/93/58/34/877935834.db2.gz ZTHBFGGUNQINTC-NRFANRHFSA-N 2 1 394.519 3.515 20 0 GHADMP Cc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)[nH+]c1 ZINC000455904188 877982938 /nfs/dbraw/zinc/98/29/38/877982938.db2.gz GSMSIAOMKVNIMT-OAQYLSRUSA-N 2 1 393.535 3.729 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1OC ZINC000285494413 912312769 /nfs/dbraw/zinc/31/27/69/912312769.db2.gz CGRJOUDIIQUFIQ-GOSISDBHSA-N 2 1 384.520 3.695 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)[NH+](C)C ZINC000788519932 878125026 /nfs/dbraw/zinc/12/50/26/878125026.db2.gz OPPVVTJXULOFMU-CTNGQTDRSA-N 2 1 375.557 3.996 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[NH+](CCCCC[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)C1 ZINC000411940939 878142562 /nfs/dbraw/zinc/14/25/62/878142562.db2.gz LKWGCTLNJPMFRN-OQQNJPJOSA-N 2 1 394.559 3.773 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCCC[NH+]2C[C@@H](O)C[C@H]2c2ccccc2)C1 ZINC000411940939 878142576 /nfs/dbraw/zinc/14/25/76/878142576.db2.gz LKWGCTLNJPMFRN-OQQNJPJOSA-N 2 1 394.559 3.773 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCCCC[NH+]2C[C@@H](O)C[C@H]2c2ccccc2)C1 ZINC000411940939 878142585 /nfs/dbraw/zinc/14/25/85/878142585.db2.gz LKWGCTLNJPMFRN-OQQNJPJOSA-N 2 1 394.559 3.773 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451565704 878162050 /nfs/dbraw/zinc/16/20/50/878162050.db2.gz LSJNFFYTXQCROI-XQTRSNPVSA-N 2 1 378.532 3.539 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451565704 878162059 /nfs/dbraw/zinc/16/20/59/878162059.db2.gz LSJNFFYTXQCROI-XQTRSNPVSA-N 2 1 378.532 3.539 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451565704 878162072 /nfs/dbraw/zinc/16/20/72/878162072.db2.gz LSJNFFYTXQCROI-XQTRSNPVSA-N 2 1 378.532 3.539 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176375275 878235400 /nfs/dbraw/zinc/23/54/00/878235400.db2.gz WSIMOKJINJEFOC-VXKWHMMOSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176375275 878235414 /nfs/dbraw/zinc/23/54/14/878235414.db2.gz WSIMOKJINJEFOC-VXKWHMMOSA-N 2 1 387.543 3.657 20 0 GHADMP C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788732355 878306486 /nfs/dbraw/zinc/30/64/86/878306486.db2.gz FAXSNOIGIDEJQV-UYAOXDASSA-N 2 1 399.579 3.886 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC)CC1)CC1CC1 ZINC000537846714 878382866 /nfs/dbraw/zinc/38/28/66/878382866.db2.gz NJQKGQUNXBQUCH-GOSISDBHSA-N 2 1 387.568 3.856 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC)CC1)CC1CC1 ZINC000537846714 878382871 /nfs/dbraw/zinc/38/28/71/878382871.db2.gz NJQKGQUNXBQUCH-GOSISDBHSA-N 2 1 387.568 3.856 20 0 GHADMP [NH3+]CCCCCCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000237988416 878507158 /nfs/dbraw/zinc/50/71/58/878507158.db2.gz BCAYCYFXHBKQGE-FQEVSTJZSA-N 2 1 385.577 3.873 20 0 GHADMP [NH3+]CCCCCCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000237988416 878507177 /nfs/dbraw/zinc/50/71/77/878507177.db2.gz BCAYCYFXHBKQGE-FQEVSTJZSA-N 2 1 385.577 3.873 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000110798060 878531667 /nfs/dbraw/zinc/53/16/67/878531667.db2.gz LFBISKCJKIJHLQ-HXUWFJFHSA-N 2 1 394.563 3.678 20 0 GHADMP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245753345 878545013 /nfs/dbraw/zinc/54/50/13/878545013.db2.gz ULKIRFQAIRODSU-JLLPCOHGSA-N 2 1 385.596 3.519 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000537962006 878596864 /nfs/dbraw/zinc/59/68/64/878596864.db2.gz HASLCMAODIVSDX-YTFSRNRJSA-N 2 1 384.564 3.747 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000180176406 878615643 /nfs/dbraw/zinc/61/56/43/878615643.db2.gz DKPUNIIFYQIYCA-RTBURBONSA-N 2 1 399.539 3.749 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C=C2CC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000852870458 878638229 /nfs/dbraw/zinc/63/82/29/878638229.db2.gz CNNCQXZFGWFWMN-YLJYHZDGSA-N 2 1 395.469 3.514 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)c1 ZINC000530904451 878720587 /nfs/dbraw/zinc/72/05/87/878720587.db2.gz YDNUCAZDPVCYHH-UHFFFAOYSA-N 2 1 396.487 3.970 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000530905560 878722150 /nfs/dbraw/zinc/72/21/50/878722150.db2.gz GGPGTDMQJVJOIX-UHFFFAOYSA-N 2 1 387.337 3.911 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000538045481 878754295 /nfs/dbraw/zinc/75/42/95/878754295.db2.gz NSPGONHOMXCRDR-CALCHBBNSA-N 2 1 398.950 3.612 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000538045481 878754303 /nfs/dbraw/zinc/75/43/03/878754303.db2.gz NSPGONHOMXCRDR-CALCHBBNSA-N 2 1 398.950 3.612 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245945993 878784736 /nfs/dbraw/zinc/78/47/36/878784736.db2.gz ABHZYOCFLULZOP-AZUAARDMSA-N 2 1 390.572 3.601 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246041426 878887823 /nfs/dbraw/zinc/88/78/23/878887823.db2.gz NWYVARRWGPWYGW-GKJHBJHPSA-N 2 1 392.609 3.610 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000853239193 878923195 /nfs/dbraw/zinc/92/31/95/878923195.db2.gz BXYZHMLUIVJCSF-WMZOPIPTSA-N 2 1 388.556 3.623 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000853239193 878923206 /nfs/dbraw/zinc/92/32/06/878923206.db2.gz BXYZHMLUIVJCSF-WMZOPIPTSA-N 2 1 388.556 3.623 20 0 GHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000246072483 878931301 /nfs/dbraw/zinc/93/13/01/878931301.db2.gz BRVBPFBLTDVEQB-VWNXMTODSA-N 2 1 391.559 3.860 20 0 GHADMP COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000531016047 878953829 /nfs/dbraw/zinc/95/38/29/878953829.db2.gz HKMCCELBALRIKA-GOSISDBHSA-N 2 1 377.573 3.547 20 0 GHADMP COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000531016047 878953853 /nfs/dbraw/zinc/95/38/53/878953853.db2.gz HKMCCELBALRIKA-GOSISDBHSA-N 2 1 377.573 3.547 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000111386418 879081388 /nfs/dbraw/zinc/08/13/88/879081388.db2.gz QUZURJGPSSHHOL-QFIPXVFZSA-N 2 1 396.579 3.552 20 0 GHADMP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000178378685 879099267 /nfs/dbraw/zinc/09/92/67/879099267.db2.gz GRQULOOHRQJPPT-IBGZPJMESA-N 2 1 395.547 3.687 20 0 GHADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)c1cccc(O)c1 ZINC000178378685 879099277 /nfs/dbraw/zinc/09/92/77/879099277.db2.gz GRQULOOHRQJPPT-IBGZPJMESA-N 2 1 395.547 3.687 20 0 GHADMP C[NH2+]C1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000643053463 912433263 /nfs/dbraw/zinc/43/32/63/912433263.db2.gz KFQLTXIAVCCICO-UHFFFAOYSA-N 2 1 381.549 3.608 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312276571 879321234 /nfs/dbraw/zinc/32/12/34/879321234.db2.gz JDRLFDQWNGIGTK-AVRDEDQJSA-N 2 1 386.561 3.653 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312276571 879321252 /nfs/dbraw/zinc/32/12/52/879321252.db2.gz JDRLFDQWNGIGTK-AVRDEDQJSA-N 2 1 386.561 3.653 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000538389641 879404592 /nfs/dbraw/zinc/40/45/92/879404592.db2.gz XRFSEGUJJXOBOX-NRFANRHFSA-N 2 1 379.548 3.689 20 0 GHADMP COc1ccccc1-c1ccnc(C2CC[NH+](CCn3cc[nH+]c3C)CC2)n1 ZINC000854097956 879528607 /nfs/dbraw/zinc/52/86/07/879528607.db2.gz YZEJGFYKNKFSOS-UHFFFAOYSA-N 2 1 377.492 3.537 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)c1 ZINC000617345892 879616145 /nfs/dbraw/zinc/61/61/45/879616145.db2.gz KGXMTRAPGIZBPF-JOCHJYFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000617345892 879616149 /nfs/dbraw/zinc/61/61/49/879616149.db2.gz KGXMTRAPGIZBPF-JOCHJYFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000617345892 879616157 /nfs/dbraw/zinc/61/61/57/879616157.db2.gz KGXMTRAPGIZBPF-JOCHJYFZSA-N 2 1 379.548 3.921 20 0 GHADMP Cc1cccc([C@H]2CCCC[N@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c1C ZINC000790365994 879669472 /nfs/dbraw/zinc/66/94/72/879669472.db2.gz JTHFIDCQAZXMNL-FYYLOGMGSA-N 2 1 383.536 3.705 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000531347429 879670985 /nfs/dbraw/zinc/67/09/85/879670985.db2.gz XBIZFUOPRDQWLI-UHFFFAOYSA-N 2 1 394.625 3.810 20 0 GHADMP CC(C)([NH2+]CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)c1ccc(Cl)c(Cl)c1 ZINC000790372052 879675153 /nfs/dbraw/zinc/67/51/53/879675153.db2.gz RTTKSSQUNFPYIN-IBGZPJMESA-N 2 1 398.334 3.692 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc4cccnc43)CC2)CC1 ZINC000531426490 879811842 /nfs/dbraw/zinc/81/18/42/879811842.db2.gz VGVOXWISQUKYRX-UHFFFAOYSA-N 2 1 380.580 3.863 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2cccnc21 ZINC000531426490 879811850 /nfs/dbraw/zinc/81/18/50/879811850.db2.gz VGVOXWISQUKYRX-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2cccnc21 ZINC000531426490 879811866 /nfs/dbraw/zinc/81/18/66/879811866.db2.gz VGVOXWISQUKYRX-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140384 879814743 /nfs/dbraw/zinc/81/47/43/879814743.db2.gz XSBVHFDJMGIHRX-RXOYHEDQSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001170140384 879814761 /nfs/dbraw/zinc/81/47/61/879814761.db2.gz XSBVHFDJMGIHRX-RXOYHEDQSA-N 2 1 383.580 3.821 20 0 GHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]21 ZINC000246822392 879815025 /nfs/dbraw/zinc/81/50/25/879815025.db2.gz RJUYIXOCSLZRID-CRAIPNDOSA-N 2 1 377.326 3.641 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]21 ZINC000246822392 879815036 /nfs/dbraw/zinc/81/50/36/879815036.db2.gz RJUYIXOCSLZRID-CRAIPNDOSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]21 ZINC000246822392 879815047 /nfs/dbraw/zinc/81/50/47/879815047.db2.gz RJUYIXOCSLZRID-CRAIPNDOSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]21 ZINC000246822392 879815057 /nfs/dbraw/zinc/81/50/57/879815057.db2.gz RJUYIXOCSLZRID-CRAIPNDOSA-N 2 1 377.326 3.641 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2)C1 ZINC000246959617 879863534 /nfs/dbraw/zinc/86/35/34/879863534.db2.gz OCPYWQDIKOJYCM-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)C1 ZINC000246959617 879863546 /nfs/dbraw/zinc/86/35/46/879863546.db2.gz OCPYWQDIKOJYCM-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)C1 ZINC000246959617 879863567 /nfs/dbraw/zinc/86/35/67/879863567.db2.gz OCPYWQDIKOJYCM-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000246996268 879875578 /nfs/dbraw/zinc/87/55/78/879875578.db2.gz LDJIIZZDXOVEBH-FGTMMUONSA-N 2 1 388.556 3.511 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000246998895 879878140 /nfs/dbraw/zinc/87/81/40/879878140.db2.gz OVERWBMGZZKXTP-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1N(C)C ZINC000247059615 879904292 /nfs/dbraw/zinc/90/42/92/879904292.db2.gz NSIBNXQGCNEAKG-QZTJIDSGSA-N 2 1 385.527 3.963 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(OC)c1 ZINC000247205348 879940836 /nfs/dbraw/zinc/94/08/36/879940836.db2.gz WPVKMNLAYVQKRV-ZWKOTPCHSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(OC)c1 ZINC000247205348 879940844 /nfs/dbraw/zinc/94/08/44/879940844.db2.gz WPVKMNLAYVQKRV-ZWKOTPCHSA-N 2 1 384.520 3.775 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)C ZINC000247408647 879992840 /nfs/dbraw/zinc/99/28/40/879992840.db2.gz IPRMSRVOOSDYNW-NZSAHSFTSA-N 2 1 394.629 3.797 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1CN(C)Cc1ccco1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247422723 879995777 /nfs/dbraw/zinc/99/57/77/879995777.db2.gz KTGLKSGJUFAMMY-CEXWTWQISA-N 2 1 383.536 3.789 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247422723 879995787 /nfs/dbraw/zinc/99/57/87/879995787.db2.gz KTGLKSGJUFAMMY-CEXWTWQISA-N 2 1 383.536 3.789 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247422723 879995794 /nfs/dbraw/zinc/99/57/94/879995794.db2.gz KTGLKSGJUFAMMY-CEXWTWQISA-N 2 1 383.536 3.789 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247422723 879995802 /nfs/dbraw/zinc/99/58/02/879995802.db2.gz KTGLKSGJUFAMMY-CEXWTWQISA-N 2 1 383.536 3.789 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247422723 879995805 /nfs/dbraw/zinc/99/58/05/879995805.db2.gz KTGLKSGJUFAMMY-CEXWTWQISA-N 2 1 383.536 3.789 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247930386 880088674 /nfs/dbraw/zinc/08/86/74/880088674.db2.gz BZXJHOPLBRGCIA-XLIONFOSSA-N 2 1 387.593 3.930 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3OC)C2)CC1 ZINC000183421059 880102488 /nfs/dbraw/zinc/10/24/88/880102488.db2.gz ORRFABFMWOWVJR-QHCPKHFHSA-N 2 1 379.548 3.574 20 0 GHADMP COC(=O)c1csc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000286030089 912542868 /nfs/dbraw/zinc/54/28/68/912542868.db2.gz KDEWYAKIGVHDBO-CVEARBPZSA-N 2 1 388.533 3.606 20 0 GHADMP COC(=O)c1csc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000286030089 912542893 /nfs/dbraw/zinc/54/28/93/912542893.db2.gz KDEWYAKIGVHDBO-CVEARBPZSA-N 2 1 388.533 3.606 20 0 GHADMP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000286030102 912543434 /nfs/dbraw/zinc/54/34/34/912543434.db2.gz KDEWYAKIGVHDBO-JKSUJKDBSA-N 2 1 388.533 3.606 20 0 GHADMP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000286030102 912543441 /nfs/dbraw/zinc/54/34/41/912543441.db2.gz KDEWYAKIGVHDBO-JKSUJKDBSA-N 2 1 388.533 3.606 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(I)c1 ZINC000453112327 880481946 /nfs/dbraw/zinc/48/19/46/880481946.db2.gz CFRGCNRWQWEADM-NTZNESFSSA-N 2 1 376.257 3.564 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(I)c1 ZINC000453112327 880481952 /nfs/dbraw/zinc/48/19/52/880481952.db2.gz CFRGCNRWQWEADM-NTZNESFSSA-N 2 1 376.257 3.564 20 0 GHADMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)c2ccccc21 ZINC000185140016 880487901 /nfs/dbraw/zinc/48/79/01/880487901.db2.gz VAWNXGJFSULHGG-MRXNPFEDSA-N 2 1 395.938 3.886 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)CC2)n[nH]1 ZINC000453214844 880630835 /nfs/dbraw/zinc/63/08/35/880630835.db2.gz IBKKVLMLXRUGAM-ZRBLBEILSA-N 2 1 393.579 3.720 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3Cl)CC2)C1=O ZINC001275202033 912604945 /nfs/dbraw/zinc/60/49/45/912604945.db2.gz MDOHMUVZUGVEAK-HXUWFJFHSA-N 2 1 398.378 3.760 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531932266 880783475 /nfs/dbraw/zinc/78/34/75/880783475.db2.gz APAXTJSBXSIICY-RXVVDRJESA-N 2 1 387.593 3.656 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000531932482 880783726 /nfs/dbraw/zinc/78/37/26/880783726.db2.gz NJRQHRCFDNBTLT-SUMWQHHRSA-N 2 1 383.483 3.805 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC(=O)Nc3ccccc3C)CCCC2)CC1 ZINC000531975993 880854480 /nfs/dbraw/zinc/85/44/80/880854480.db2.gz XALVNUWGESUKJY-IBGZPJMESA-N 2 1 387.568 3.725 20 0 GHADMP Cn1nccc1[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453374427 880858696 /nfs/dbraw/zinc/85/86/96/880858696.db2.gz ZIEHPMWLZXTZHR-UFNITMFUSA-N 2 1 382.552 3.673 20 0 GHADMP Cn1nccc1[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453374430 880859136 /nfs/dbraw/zinc/85/91/36/880859136.db2.gz ZIEHPMWLZXTZHR-ZJZNHJNOSA-N 2 1 382.552 3.673 20 0 GHADMP Cn1ccnc1[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453398904 880867238 /nfs/dbraw/zinc/86/72/38/880867238.db2.gz NIRMXRNUKPKWAL-OEXSPLCWSA-N 2 1 382.552 3.673 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792279559 881010379 /nfs/dbraw/zinc/01/03/79/881010379.db2.gz CYZXPWRQAWSWAU-TZIWHRDSSA-N 2 1 394.563 3.581 20 0 GHADMP CC1(C)C[C@@H](Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C[N@H+]1Cc1ccccc1 ZINC000643348913 912649351 /nfs/dbraw/zinc/64/93/51/912649351.db2.gz IOYVWYMDTZBEQZ-DHIUTWEWSA-N 2 1 379.548 3.718 20 0 GHADMP CC1(C)C[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C[NH+]1Cc1ccccc1 ZINC000643348913 912649359 /nfs/dbraw/zinc/64/93/59/912649359.db2.gz IOYVWYMDTZBEQZ-DHIUTWEWSA-N 2 1 379.548 3.718 20 0 GHADMP CC1(C)C[C@@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)C[NH+]1Cc1ccccc1 ZINC000643348913 912649369 /nfs/dbraw/zinc/64/93/69/912649369.db2.gz IOYVWYMDTZBEQZ-DHIUTWEWSA-N 2 1 379.548 3.718 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858490915 883141587 /nfs/dbraw/zinc/14/15/87/883141587.db2.gz SIIJKKXSYZKJJU-FUHWJXTLSA-N 2 1 390.572 3.797 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694589 883205807 /nfs/dbraw/zinc/20/58/07/883205807.db2.gz OCESKACOIWVAEY-ISKFKSNPSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694589 883205823 /nfs/dbraw/zinc/20/58/23/883205823.db2.gz OCESKACOIWVAEY-ISKFKSNPSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694589 883205839 /nfs/dbraw/zinc/20/58/39/883205839.db2.gz OCESKACOIWVAEY-ISKFKSNPSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694589 883205850 /nfs/dbraw/zinc/20/58/50/883205850.db2.gz OCESKACOIWVAEY-ISKFKSNPSA-N 2 1 387.531 3.754 20 0 GHADMP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1cccs1 ZINC000193589379 883372507 /nfs/dbraw/zinc/37/25/07/883372507.db2.gz XTJKFZIDGMGPSE-UHFFFAOYSA-N 2 1 385.577 3.659 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1cccs1 ZINC000193589379 883372527 /nfs/dbraw/zinc/37/25/27/883372527.db2.gz XTJKFZIDGMGPSE-UHFFFAOYSA-N 2 1 385.577 3.659 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@H]1c1ccccc1 ZINC000551197039 883470946 /nfs/dbraw/zinc/47/09/46/883470946.db2.gz MNDAWZVUSLHYTG-ZRNYENFQSA-N 2 1 382.508 3.592 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@H]1c1ccccc1 ZINC000551197039 883470948 /nfs/dbraw/zinc/47/09/48/883470948.db2.gz MNDAWZVUSLHYTG-ZRNYENFQSA-N 2 1 382.508 3.592 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000551199324 883474766 /nfs/dbraw/zinc/47/47/66/883474766.db2.gz YRVZDFPTELUHAX-CQSZACIVSA-N 2 1 396.354 3.623 20 0 GHADMP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476971149 883504196 /nfs/dbraw/zinc/50/41/96/883504196.db2.gz JLNMKEBKDXSHNZ-RTWAWAEBSA-N 2 1 385.596 3.710 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476975243 883510600 /nfs/dbraw/zinc/51/06/00/883510600.db2.gz QGIJBFNBNSHIQY-MOPGFXCFSA-N 2 1 389.559 3.807 20 0 GHADMP Cc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(Cl)c1 ZINC001211910987 883513601 /nfs/dbraw/zinc/51/36/01/883513601.db2.gz OEXMTOAAOWZJTE-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(Cl)c1 ZINC001211910987 883513606 /nfs/dbraw/zinc/51/36/06/883513606.db2.gz OEXMTOAAOWZJTE-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1csc([C@@H]2CC[N@H+](Cc3ccc(C[NH+](C)C)c4c3OC(F)(F)O4)C2)n1 ZINC001183671361 912718761 /nfs/dbraw/zinc/71/87/61/912718761.db2.gz HFMWFBMHGIYFTP-OAHLLOKOSA-N 2 1 395.475 3.824 20 0 GHADMP Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cs1 ZINC000666972380 883532331 /nfs/dbraw/zinc/53/23/31/883532331.db2.gz YJJZCZANBZCGCA-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000666972380 883532335 /nfs/dbraw/zinc/53/23/35/883532335.db2.gz YJJZCZANBZCGCA-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211771 883664506 /nfs/dbraw/zinc/66/45/06/883664506.db2.gz DRTZZLVXIAFKQG-QGZVFWFLSA-N 2 1 383.561 3.707 20 0 GHADMP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211771 883664511 /nfs/dbraw/zinc/66/45/11/883664511.db2.gz DRTZZLVXIAFKQG-QGZVFWFLSA-N 2 1 383.561 3.707 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cn3cc(Br)ccc3n2)cc1 ZINC000859212823 883665807 /nfs/dbraw/zinc/66/58/07/883665807.db2.gz BMTRYWPKCKIZOM-UHFFFAOYSA-N 2 1 387.325 3.790 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cn3cc(Br)ccc3n2)cc1 ZINC000859212823 883665809 /nfs/dbraw/zinc/66/58/09/883665809.db2.gz BMTRYWPKCKIZOM-UHFFFAOYSA-N 2 1 387.325 3.790 20 0 GHADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213962 883667609 /nfs/dbraw/zinc/66/76/09/883667609.db2.gz CJOIDCWFOYGXGV-INIZCTEOSA-N 2 1 389.490 3.678 20 0 GHADMP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213962 883667616 /nfs/dbraw/zinc/66/76/16/883667616.db2.gz CJOIDCWFOYGXGV-INIZCTEOSA-N 2 1 389.490 3.678 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215632 883670736 /nfs/dbraw/zinc/67/07/36/883670736.db2.gz MDQOIFLWJJMFIG-HXUWFJFHSA-N 2 1 385.577 3.778 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215632 883670753 /nfs/dbraw/zinc/67/07/53/883670753.db2.gz MDQOIFLWJJMFIG-HXUWFJFHSA-N 2 1 385.577 3.778 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@H]1c1ncc[nH]1)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000859223137 883674313 /nfs/dbraw/zinc/67/43/13/883674313.db2.gz QUUZYVVMCAOCMD-HDICACEKSA-N 2 1 386.620 3.815 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]1c1ncc[nH]1)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000859223137 883674315 /nfs/dbraw/zinc/67/43/15/883674315.db2.gz QUUZYVVMCAOCMD-HDICACEKSA-N 2 1 386.620 3.815 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]1c1ncc[nH]1)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000859223137 883674319 /nfs/dbraw/zinc/67/43/19/883674319.db2.gz QUUZYVVMCAOCMD-HDICACEKSA-N 2 1 386.620 3.815 20 0 GHADMP CC1(C)C[C@H](O)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000859326425 883746230 /nfs/dbraw/zinc/74/62/30/883746230.db2.gz NQUWAIGZQAAACM-WOJBJXKFSA-N 2 1 398.708 3.661 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC[N@H+]1C ZINC000666172364 883782334 /nfs/dbraw/zinc/78/23/34/883782334.db2.gz NWUFPSFSMCOIBR-IBURTVSXSA-N 2 1 381.539 3.866 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC[NH+]1C ZINC000666172364 883782352 /nfs/dbraw/zinc/78/23/52/883782352.db2.gz NWUFPSFSMCOIBR-IBURTVSXSA-N 2 1 381.539 3.866 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000465437790 883852373 /nfs/dbraw/zinc/85/23/73/883852373.db2.gz WXZGZZSMEXIQDH-TXPKVOOTSA-N 2 1 380.964 3.505 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](c3cccs3)C3CC3)CC2)cc1 ZINC000542509252 883890237 /nfs/dbraw/zinc/89/02/37/883890237.db2.gz RXZBHYTXIRFCTO-QHCPKHFHSA-N 2 1 397.588 3.832 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC(=O)N1Cc1ccccc1 ZINC000556178802 884028182 /nfs/dbraw/zinc/02/81/82/884028182.db2.gz JIPJSQYBEDJZBE-MSYGRNIXSA-N 2 1 377.532 3.601 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC(=O)N1Cc1ccccc1 ZINC000556178802 884028197 /nfs/dbraw/zinc/02/81/97/884028197.db2.gz JIPJSQYBEDJZBE-MSYGRNIXSA-N 2 1 377.532 3.601 20 0 GHADMP CC(C)CC[NH+]1CCC(NCC2([N@@H+](C)Cc3ccccc3)CCOCC2)CC1 ZINC001183740396 912785469 /nfs/dbraw/zinc/78/54/69/912785469.db2.gz NWNIUNXFPBCQFN-UHFFFAOYSA-N 2 1 387.612 3.768 20 0 GHADMP CC(C)CC[NH+]1CCC([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)CC1 ZINC001183740396 912785479 /nfs/dbraw/zinc/78/54/79/912785479.db2.gz NWNIUNXFPBCQFN-UHFFFAOYSA-N 2 1 387.612 3.768 20 0 GHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233121 884178192 /nfs/dbraw/zinc/17/81/92/884178192.db2.gz MRZUESYAXJMUGK-PSWRPDDJSA-N 2 1 386.580 3.564 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233496 884183808 /nfs/dbraw/zinc/18/38/08/884183808.db2.gz PWVPDALHJXLQHF-BHIFYINESA-N 2 1 386.580 3.708 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000191538243 884198130 /nfs/dbraw/zinc/19/81/30/884198130.db2.gz UCEBRUNTANDEPV-SFTDATJTSA-N 2 1 393.641 3.832 20 0 GHADMP CC(C)C[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000556238799 884200771 /nfs/dbraw/zinc/20/07/71/884200771.db2.gz OMJWRYHICQFOPB-KXTRFFEISA-N 2 1 387.612 3.766 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000859995332 884248486 /nfs/dbraw/zinc/24/84/86/884248486.db2.gz PJVBNNZDOKZNFF-UHFFFAOYSA-N 2 1 380.488 3.885 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105113577 884249572 /nfs/dbraw/zinc/24/95/72/884249572.db2.gz LVKSPQSZWKJRAL-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(OC)c(C)c1C ZINC000494951730 884278279 /nfs/dbraw/zinc/27/82/79/884278279.db2.gz NNODLQZVHBYPMV-IBGZPJMESA-N 2 1 390.572 3.500 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)CC1 ZINC001142531988 884597810 /nfs/dbraw/zinc/59/78/10/884597810.db2.gz SBKYUISKNVITTC-OAQYLSRUSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001142531988 884597825 /nfs/dbraw/zinc/59/78/25/884597825.db2.gz SBKYUISKNVITTC-OAQYLSRUSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001142531988 884597829 /nfs/dbraw/zinc/59/78/29/884597829.db2.gz SBKYUISKNVITTC-OAQYLSRUSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000130376339 884609825 /nfs/dbraw/zinc/60/98/25/884609825.db2.gz OBYTVPCOFMVPPG-IBGZPJMESA-N 2 1 390.531 3.808 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000130376339 884609836 /nfs/dbraw/zinc/60/98/36/884609836.db2.gz OBYTVPCOFMVPPG-IBGZPJMESA-N 2 1 390.531 3.808 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130424930 884644731 /nfs/dbraw/zinc/64/47/31/884644731.db2.gz ZKTNHSWCDALNHA-CQSZACIVSA-N 2 1 378.904 3.511 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130424930 884644744 /nfs/dbraw/zinc/64/47/44/884644744.db2.gz ZKTNHSWCDALNHA-CQSZACIVSA-N 2 1 378.904 3.511 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000424327733 885128025 /nfs/dbraw/zinc/12/80/25/885128025.db2.gz ZKVNQLXEAGCXOY-JTHBVZDNSA-N 2 1 393.556 3.654 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000424327733 885128038 /nfs/dbraw/zinc/12/80/38/885128038.db2.gz ZKVNQLXEAGCXOY-JTHBVZDNSA-N 2 1 393.556 3.654 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000130846297 885217035 /nfs/dbraw/zinc/21/70/35/885217035.db2.gz BAZQOVBBDDRFPV-CQSZACIVSA-N 2 1 393.329 3.612 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000130846297 885217054 /nfs/dbraw/zinc/21/70/54/885217054.db2.gz BAZQOVBBDDRFPV-CQSZACIVSA-N 2 1 393.329 3.612 20 0 GHADMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[NH+]1CCCCC1 ZINC000104285436 885352846 /nfs/dbraw/zinc/35/28/46/885352846.db2.gz NTBUPDSHKNEXPX-OAQYLSRUSA-N 2 1 393.522 3.556 20 0 GHADMP C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498707581 885391896 /nfs/dbraw/zinc/39/18/96/885391896.db2.gz UQBMCNHYYBCOSV-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707581 885391912 /nfs/dbraw/zinc/39/19/12/885391912.db2.gz UQBMCNHYYBCOSV-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707581 885391928 /nfs/dbraw/zinc/39/19/28/885391928.db2.gz UQBMCNHYYBCOSV-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498703585 885413289 /nfs/dbraw/zinc/41/32/89/885413289.db2.gz BULPDBGZJUFQNJ-TZIWHRDSSA-N 2 1 386.584 3.509 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000303059080 885441950 /nfs/dbraw/zinc/44/19/50/885441950.db2.gz ZXBFNSAXPRWQGX-VQTJNVASSA-N 2 1 383.561 3.666 20 0 GHADMP Cc1[nH+]ccn1CCNC(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001183982894 912942275 /nfs/dbraw/zinc/94/22/75/912942275.db2.gz YEULHZLEWPVYDL-UHFFFAOYSA-N 2 1 390.531 3.790 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(I)c2)CC1 ZINC000556599179 885595269 /nfs/dbraw/zinc/59/52/69/885595269.db2.gz ZQMYCAPPZSQSFU-UHFFFAOYSA-N 2 1 386.321 3.843 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001168489059 886034901 /nfs/dbraw/zinc/03/49/01/886034901.db2.gz VUVKRPQSOAJWCQ-WMZHIEFXSA-N 2 1 397.538 3.907 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569027 886130061 /nfs/dbraw/zinc/13/00/61/886130061.db2.gz VOQKFSYIDNHSRH-LAUBAEHRSA-N 2 1 397.567 3.622 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569027 886130073 /nfs/dbraw/zinc/13/00/73/886130073.db2.gz VOQKFSYIDNHSRH-LAUBAEHRSA-N 2 1 397.567 3.622 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569027 886130078 /nfs/dbraw/zinc/13/00/78/886130078.db2.gz VOQKFSYIDNHSRH-LAUBAEHRSA-N 2 1 397.567 3.622 20 0 GHADMP Cc1cc(C)c(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000919719254 886216841 /nfs/dbraw/zinc/21/68/41/886216841.db2.gz ROZZRKFRRPHUQV-UHFFFAOYSA-N 2 1 389.956 3.913 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556814141 886230373 /nfs/dbraw/zinc/23/03/73/886230373.db2.gz YIXBBHKTFRERQG-AEFFLSMTSA-N 2 1 387.474 3.794 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000556829834 886283538 /nfs/dbraw/zinc/28/35/38/886283538.db2.gz XLBUKJHKUKKVHT-UKBAYJJMSA-N 2 1 377.598 3.598 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](C)[NH+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000556829834 886283555 /nfs/dbraw/zinc/28/35/55/886283555.db2.gz XLBUKJHKUKKVHT-UKBAYJJMSA-N 2 1 377.598 3.598 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](C)[NH+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000556829834 886283575 /nfs/dbraw/zinc/28/35/75/886283575.db2.gz XLBUKJHKUKKVHT-UKBAYJJMSA-N 2 1 377.598 3.598 20 0 GHADMP CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000762502802 886298914 /nfs/dbraw/zinc/29/89/14/886298914.db2.gz PQTSYJZMTQXKJE-JOCHJYFZSA-N 2 1 383.580 3.827 20 0 GHADMP CC(C)C[C@@H]1CC(=O)N(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000762502802 886298933 /nfs/dbraw/zinc/29/89/33/886298933.db2.gz PQTSYJZMTQXKJE-JOCHJYFZSA-N 2 1 383.580 3.827 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cnc(C3CCCC3)s2)c2cccs2)CC1 ZINC000532618559 886513526 /nfs/dbraw/zinc/51/35/26/886513526.db2.gz PWRSJNOHXZLSCL-GOSISDBHSA-N 2 1 390.622 3.941 20 0 GHADMP Cc1cc(C(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1Cc1ccco1 ZINC000131765513 886538382 /nfs/dbraw/zinc/53/83/82/886538382.db2.gz ZTCDRJJLVFBNKZ-LJQANCHMSA-N 2 1 385.552 3.981 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000116546136 886623246 /nfs/dbraw/zinc/62/32/46/886623246.db2.gz LXOJPEVSTKJJDT-PMACEKPBSA-N 2 1 386.584 3.632 20 0 GHADMP Cc1cc(F)c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(Cl)c1 ZINC000459323718 887383926 /nfs/dbraw/zinc/38/39/26/887383926.db2.gz JYLDDGHWHZYLEN-UHFFFAOYSA-N 2 1 397.966 3.704 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000359894367 887611867 /nfs/dbraw/zinc/61/18/67/887611867.db2.gz FYQHZBXARMCYSK-KNQAVFIVSA-N 2 1 385.596 3.914 20 0 GHADMP Cc1nc(CC[N@@H+](C)[C@H]2CCC[NH+](CCc3csc(C)n3)CC2)cs1 ZINC000132246055 887637179 /nfs/dbraw/zinc/63/71/79/887637179.db2.gz BJFRJGLELKIHDA-IBGZPJMESA-N 2 1 378.611 3.788 20 0 GHADMP Cc1nc(CC[N@H+](C)[C@H]2CCC[NH+](CCc3csc(C)n3)CC2)cs1 ZINC000132246055 887637182 /nfs/dbraw/zinc/63/71/82/887637182.db2.gz BJFRJGLELKIHDA-IBGZPJMESA-N 2 1 378.611 3.788 20 0 GHADMP Cc1nc(CC[NH+](C)[C@H]2CCC[N@H+](CCc3csc(C)n3)CC2)cs1 ZINC000132246055 887637190 /nfs/dbraw/zinc/63/71/90/887637190.db2.gz BJFRJGLELKIHDA-IBGZPJMESA-N 2 1 378.611 3.788 20 0 GHADMP Cc1nc(CC[NH+](C)[C@H]2CCC[N@@H+](CCc3csc(C)n3)CC2)cs1 ZINC000132246055 887637197 /nfs/dbraw/zinc/63/71/97/887637197.db2.gz BJFRJGLELKIHDA-IBGZPJMESA-N 2 1 378.611 3.788 20 0 GHADMP C[C@@H]1CN(c2ccccc2CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459360741 887672731 /nfs/dbraw/zinc/67/27/31/887672731.db2.gz YSLQKCAMBMIFGC-GGAORHGYSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000459360741 887672738 /nfs/dbraw/zinc/67/27/38/887672738.db2.gz YSLQKCAMBMIFGC-GGAORHGYSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459360741 887672757 /nfs/dbraw/zinc/67/27/57/887672757.db2.gz YSLQKCAMBMIFGC-GGAORHGYSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454271971 888256627 /nfs/dbraw/zinc/25/66/27/888256627.db2.gz SRBRBUAPTYEDIP-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)c1 ZINC000865451545 888361370 /nfs/dbraw/zinc/36/13/70/888361370.db2.gz RMOZYAJTDCYKLL-UHFFFAOYSA-N 2 1 385.512 3.565 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)c1 ZINC000865451545 888361383 /nfs/dbraw/zinc/36/13/83/888361383.db2.gz RMOZYAJTDCYKLL-UHFFFAOYSA-N 2 1 385.512 3.565 20 0 GHADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000865632961 888490446 /nfs/dbraw/zinc/49/04/46/888490446.db2.gz UQVOBLAWHRENDJ-GTMAMOSYSA-N 2 1 383.580 3.573 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000810586982 888663844 /nfs/dbraw/zinc/66/38/44/888663844.db2.gz KKXCMHHROIUUFC-DENIHFKCSA-N 2 1 376.516 3.654 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000810586982 888663851 /nfs/dbraw/zinc/66/38/51/888663851.db2.gz KKXCMHHROIUUFC-DENIHFKCSA-N 2 1 376.516 3.654 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000810586982 888663864 /nfs/dbraw/zinc/66/38/64/888663864.db2.gz KKXCMHHROIUUFC-DENIHFKCSA-N 2 1 376.516 3.654 20 0 GHADMP COCC[N@H+](Cc1cc(Cl)c(Br)cc1C)C1CC[NH2+]CC1 ZINC001235943400 888742714 /nfs/dbraw/zinc/74/27/14/888742714.db2.gz IHMRAAUBZQLLLE-UHFFFAOYSA-N 2 1 375.738 3.611 20 0 GHADMP COCC[N@@H+](Cc1cc(Cl)c(Br)cc1C)C1CC[NH2+]CC1 ZINC001235943400 888742729 /nfs/dbraw/zinc/74/27/29/888742729.db2.gz IHMRAAUBZQLLLE-UHFFFAOYSA-N 2 1 375.738 3.611 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532950493 889364283 /nfs/dbraw/zinc/36/42/83/889364283.db2.gz LAIMCAQXXAHPHO-UHFFFAOYSA-N 2 1 381.948 3.648 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532950493 889364291 /nfs/dbraw/zinc/36/42/91/889364291.db2.gz LAIMCAQXXAHPHO-UHFFFAOYSA-N 2 1 381.948 3.648 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000644526907 913340124 /nfs/dbraw/zinc/34/01/24/913340124.db2.gz HYKJFXYZZVPIPX-ISKFKSNPSA-N 2 1 382.548 3.683 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644530611 913345660 /nfs/dbraw/zinc/34/56/60/913345660.db2.gz KPMPLAFLOZMFKJ-XZOQPEGZSA-N 2 1 382.548 3.545 20 0 GHADMP Fc1cccnc1N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245735039 889562145 /nfs/dbraw/zinc/56/21/45/889562145.db2.gz QSCYNZHRTUJXHF-MXEMCNAFSA-N 2 1 380.511 3.585 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000122310301 889606819 /nfs/dbraw/zinc/60/68/19/889606819.db2.gz NFTQQVSKMHYAKY-OALUTQOASA-N 2 1 382.552 3.766 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000124369588 889608269 /nfs/dbraw/zinc/60/82/69/889608269.db2.gz LYVSMOLFTFFRSE-PKOBYXMFSA-N 2 1 383.540 3.519 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000124369588 889608277 /nfs/dbraw/zinc/60/82/77/889608277.db2.gz LYVSMOLFTFFRSE-PKOBYXMFSA-N 2 1 383.540 3.519 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccnc(Cl)c2Cl)[C@H](c2ccccc2)C1 ZINC000811473853 889659534 /nfs/dbraw/zinc/65/95/34/889659534.db2.gz OLGDKVJZKBGRSA-SFHVURJKSA-N 2 1 393.362 3.857 20 0 GHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644580515 913379202 /nfs/dbraw/zinc/37/92/02/913379202.db2.gz NHTCFKMWXCKWPS-SGNDLWITSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644580515 913379231 /nfs/dbraw/zinc/37/92/31/913379231.db2.gz NHTCFKMWXCKWPS-SGNDLWITSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)nn1 ZINC001170644713 889995212 /nfs/dbraw/zinc/99/52/12/889995212.db2.gz UILRWABKIOYDMV-NSKBAKJYSA-N 2 1 388.519 3.603 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000465538262 890192293 /nfs/dbraw/zinc/19/22/93/890192293.db2.gz GTNGVKOBERWILB-HKBOAZHASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000465538262 890192297 /nfs/dbraw/zinc/19/22/97/890192297.db2.gz GTNGVKOBERWILB-HKBOAZHASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000465538262 890192302 /nfs/dbraw/zinc/19/23/02/890192302.db2.gz GTNGVKOBERWILB-HKBOAZHASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533290875 890204489 /nfs/dbraw/zinc/20/44/89/890204489.db2.gz UTPRCXQVOKJJQI-QFUCXCTJSA-N 2 1 387.593 3.827 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126547783 890588069 /nfs/dbraw/zinc/58/80/69/890588069.db2.gz FUBNUOJKSOUVGD-FQEVSTJZSA-N 2 1 379.976 3.869 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC000126659282 890636262 /nfs/dbraw/zinc/63/62/62/890636262.db2.gz STDHFLYQUBWXCZ-IBGZPJMESA-N 2 1 397.563 3.610 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000871786000 891010672 /nfs/dbraw/zinc/01/06/72/891010672.db2.gz PXDHOZACTUDBEJ-HNSVSWJLSA-N 2 1 392.931 3.655 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000871786000 891010689 /nfs/dbraw/zinc/01/06/89/891010689.db2.gz PXDHOZACTUDBEJ-HNSVSWJLSA-N 2 1 392.931 3.655 20 0 GHADMP CCOc1ccccc1-c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872173785 891197289 /nfs/dbraw/zinc/19/72/89/891197289.db2.gz VGQDWOZWKVETEY-UHFFFAOYSA-N 2 1 392.503 3.671 20 0 GHADMP O[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)c(F)c1 ZINC000813370639 891555188 /nfs/dbraw/zinc/55/51/88/891555188.db2.gz IDSIOJCCAGCCGA-JOCHJYFZSA-N 2 1 386.486 3.986 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000813881349 892064493 /nfs/dbraw/zinc/06/44/93/892064493.db2.gz OUHLYUAIFSQQTJ-RALVGALMSA-N 2 1 384.564 3.888 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccco1 ZINC000497698164 892217222 /nfs/dbraw/zinc/21/72/22/892217222.db2.gz BVTKXXHLIJMHAR-NRFANRHFSA-N 2 1 398.551 3.758 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3nccnc3c1)CC2 ZINC001137086726 892507874 /nfs/dbraw/zinc/50/78/74/892507874.db2.gz HGHNESPZOQWACQ-UHFFFAOYSA-N 2 1 387.531 3.901 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000162511705 892630060 /nfs/dbraw/zinc/63/00/60/892630060.db2.gz YCPGOEVUJZKMBZ-INIZCTEOSA-N 2 1 397.498 3.506 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000645156235 913714752 /nfs/dbraw/zinc/71/47/52/913714752.db2.gz DYGRMZYRCVAGNN-KRWDZBQOSA-N 2 1 399.348 3.754 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753397 892944713 /nfs/dbraw/zinc/94/47/13/892944713.db2.gz PLHJNQQDZUJUFV-AKHDSKFASA-N 2 1 389.609 3.881 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000562914649 893143677 /nfs/dbraw/zinc/14/36/77/893143677.db2.gz NBPULOFFXAHXEC-PKOBYXMFSA-N 2 1 377.492 3.817 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000562914649 893143681 /nfs/dbraw/zinc/14/36/81/893143681.db2.gz NBPULOFFXAHXEC-PKOBYXMFSA-N 2 1 377.492 3.817 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509696466 893330157 /nfs/dbraw/zinc/33/01/57/893330157.db2.gz HYQXEFSXUWHHMQ-RPWUZVMVSA-N 2 1 398.639 3.785 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC12CCOCC2 ZINC000563135076 893397654 /nfs/dbraw/zinc/39/76/54/893397654.db2.gz DUONNEKMYFXCGS-QGZVFWFLSA-N 2 1 388.458 3.944 20 0 GHADMP c1ccc([C@@H]2C[C@H](NC3CC[NH+](C[C@H]4CCCO4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000877031293 893445493 /nfs/dbraw/zinc/44/54/93/893445493.db2.gz PMVBMAUBCHNABB-JRFVFWCSSA-N 2 1 383.580 3.588 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646093 893741059 /nfs/dbraw/zinc/74/10/59/893741059.db2.gz CTOIRZDSCDNPRF-OAQYLSRUSA-N 2 1 391.519 3.518 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646093 893741067 /nfs/dbraw/zinc/74/10/67/893741067.db2.gz CTOIRZDSCDNPRF-OAQYLSRUSA-N 2 1 391.519 3.518 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646093 893741080 /nfs/dbraw/zinc/74/10/80/893741080.db2.gz CTOIRZDSCDNPRF-OAQYLSRUSA-N 2 1 391.519 3.518 20 0 GHADMP Clc1cc(CNC2CC[NH+](C3CC3)CC2)ccc1I ZINC000459541091 893766152 /nfs/dbraw/zinc/76/61/52/893766152.db2.gz YLVYLACQDDFIOS-UHFFFAOYSA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1I ZINC000459541091 893766165 /nfs/dbraw/zinc/76/61/65/893766165.db2.gz YLVYLACQDDFIOS-UHFFFAOYSA-N 2 1 390.696 3.661 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000129653315 893774719 /nfs/dbraw/zinc/77/47/19/893774719.db2.gz GVXUTIXEMGUTEX-RZUBCFFCSA-N 2 1 397.588 3.912 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000129653315 893774726 /nfs/dbraw/zinc/77/47/26/893774726.db2.gz GVXUTIXEMGUTEX-RZUBCFFCSA-N 2 1 397.588 3.912 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000129653315 893774734 /nfs/dbraw/zinc/77/47/34/893774734.db2.gz GVXUTIXEMGUTEX-RZUBCFFCSA-N 2 1 397.588 3.912 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459731194 894120359 /nfs/dbraw/zinc/12/03/59/894120359.db2.gz KUXJMSAMNMENET-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP COC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccc(Cl)c1F ZINC000563741421 894130963 /nfs/dbraw/zinc/13/09/63/894130963.db2.gz UTXWTBQSADBIBM-GOSISDBHSA-N 2 1 392.906 3.832 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000878303843 894180795 /nfs/dbraw/zinc/18/07/95/894180795.db2.gz CSZRXOZZRXHKHQ-QUCCMNQESA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000878303843 894180806 /nfs/dbraw/zinc/18/08/06/894180806.db2.gz CSZRXOZZRXHKHQ-QUCCMNQESA-N 2 1 381.524 3.613 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000536999634 894204708 /nfs/dbraw/zinc/20/47/08/894204708.db2.gz VNKBAXLHMNJVID-FQEVSTJZSA-N 2 1 397.485 3.689 20 0 GHADMP CN(CC[N@@H+](C)Cc1cccc(OCc2ccccc2F)c1)C1CC[NH+](C)CC1 ZINC000563841453 894248445 /nfs/dbraw/zinc/24/84/45/894248445.db2.gz JODNSPQOLWONDD-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@H]4CC5(CO4)CCOCC5)C3)CC2)cc1 ZINC000878647084 894481822 /nfs/dbraw/zinc/48/18/22/894481822.db2.gz CRYNYYROWIUROQ-JOCHJYFZSA-N 2 1 384.564 3.560 20 0 GHADMP CCC[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000537204883 894593645 /nfs/dbraw/zinc/59/36/45/894593645.db2.gz JKIMADZBGXSKNT-HSZRJFAPSA-N 2 1 385.596 3.837 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000564207240 894722414 /nfs/dbraw/zinc/72/24/14/894722414.db2.gz GSZDJLQNOAQUFL-RLLQIKCJSA-N 2 1 385.577 3.973 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000537289214 894747540 /nfs/dbraw/zinc/74/75/40/894747540.db2.gz COTFVLHWMSPXGY-VWLOTQADSA-N 2 1 391.559 3.770 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)c2)CC1 ZINC000879086501 894827942 /nfs/dbraw/zinc/82/79/42/894827942.db2.gz XCSKKRWJEIJNOO-RBBKRZOGSA-N 2 1 384.568 3.519 20 0 GHADMP COCC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879125433 894850548 /nfs/dbraw/zinc/85/05/48/894850548.db2.gz ATXYIAZRJSEUCK-UHFFFAOYSA-N 2 1 395.547 3.582 20 0 GHADMP COCC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879125433 894850562 /nfs/dbraw/zinc/85/05/62/894850562.db2.gz ATXYIAZRJSEUCK-UHFFFAOYSA-N 2 1 395.547 3.582 20 0 GHADMP CCN(C(=O)NCC[NH+]1CC=C(C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460217941 894876087 /nfs/dbraw/zinc/87/60/87/894876087.db2.gz SCQVRPROXSRQKA-UNMCSNQZSA-N 2 1 384.568 3.505 20 0 GHADMP CCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000460217941 894876094 /nfs/dbraw/zinc/87/60/94/894876094.db2.gz SCQVRPROXSRQKA-UNMCSNQZSA-N 2 1 384.568 3.505 20 0 GHADMP CCN(C(=O)NCC[N@@H+]1CC=C(C)CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000460217941 894876110 /nfs/dbraw/zinc/87/61/10/894876110.db2.gz SCQVRPROXSRQKA-UNMCSNQZSA-N 2 1 384.568 3.505 20 0 GHADMP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC001135724066 895139595 /nfs/dbraw/zinc/13/95/95/895139595.db2.gz AXKBBNTUQCFVMG-HSZRJFAPSA-N 2 1 397.538 3.819 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC001135724066 895139600 /nfs/dbraw/zinc/13/96/00/895139600.db2.gz AXKBBNTUQCFVMG-HSZRJFAPSA-N 2 1 397.538 3.819 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC001135724066 895139604 /nfs/dbraw/zinc/13/96/04/895139604.db2.gz AXKBBNTUQCFVMG-HSZRJFAPSA-N 2 1 397.538 3.819 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC001135724066 895139608 /nfs/dbraw/zinc/13/96/08/895139608.db2.gz AXKBBNTUQCFVMG-HSZRJFAPSA-N 2 1 397.538 3.819 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](c4ccccc4C)C[C@H]3C)CC2)CC1 ZINC000565187779 895448208 /nfs/dbraw/zinc/44/82/08/895448208.db2.gz ISSRKKLQUFYPNB-IFMALSPDSA-N 2 1 397.607 3.896 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](c4ccccc4C)C[C@H]3C)CC2)CC1 ZINC000565187785 895448693 /nfs/dbraw/zinc/44/86/93/895448693.db2.gz ISSRKKLQUFYPNB-IRLDBZIGSA-N 2 1 397.607 3.896 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cn4ccccc4n3)CC2)cs1 ZINC000565219524 895466232 /nfs/dbraw/zinc/46/62/32/895466232.db2.gz YBIZVEYUWUMWHG-MRXNPFEDSA-N 2 1 383.565 3.916 20 0 GHADMP Cc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319511 895530028 /nfs/dbraw/zinc/53/00/28/895530028.db2.gz VFCBQBCERBLDIA-GVAUOCQISA-N 2 1 393.575 3.793 20 0 GHADMP Cc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319511 895530037 /nfs/dbraw/zinc/53/00/37/895530037.db2.gz VFCBQBCERBLDIA-GVAUOCQISA-N 2 1 393.575 3.793 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)Nc3cccc(F)c3)C2)s1 ZINC000565661467 895791342 /nfs/dbraw/zinc/79/13/42/895791342.db2.gz SXXJYSYQLNYJAS-KRWDZBQOSA-N 2 1 389.540 3.978 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001135983573 895827844 /nfs/dbraw/zinc/82/78/44/895827844.db2.gz XEPXLDRJQVMPAE-QHCPKHFHSA-N 2 1 397.538 3.948 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001135983573 895827857 /nfs/dbraw/zinc/82/78/57/895827857.db2.gz XEPXLDRJQVMPAE-QHCPKHFHSA-N 2 1 397.538 3.948 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1OC ZINC000566010409 896046047 /nfs/dbraw/zinc/04/60/47/896046047.db2.gz SLUUBRYWUFAXPB-DLBZAZTESA-N 2 1 387.549 3.649 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170910575 896206525 /nfs/dbraw/zinc/20/65/25/896206525.db2.gz KVHBLLYGPJRILM-QTEQDKRBSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170910575 896206537 /nfs/dbraw/zinc/20/65/37/896206537.db2.gz KVHBLLYGPJRILM-QTEQDKRBSA-N 2 1 384.951 3.670 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000818959478 896297146 /nfs/dbraw/zinc/29/71/46/896297146.db2.gz LKHFXRWKGCLNIN-FDDCHVKYSA-N 2 1 398.547 3.759 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)oc1C ZINC000819052425 896341442 /nfs/dbraw/zinc/34/14/42/896341442.db2.gz GJMVIRQYUXINMU-LJQANCHMSA-N 2 1 395.906 3.619 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3cccc(Cl)c3)CC2)cs1 ZINC000819050057 896341503 /nfs/dbraw/zinc/34/15/03/896341503.db2.gz PSDMGXQQTFVSGG-IBGZPJMESA-N 2 1 393.984 3.894 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3cccc4ccccc43)CC2)oc1C ZINC000819052624 896341804 /nfs/dbraw/zinc/34/18/04/896341804.db2.gz IKPLLEXSYVNPRM-QHCPKHFHSA-N 2 1 393.531 3.980 20 0 GHADMP C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000819220046 896512577 /nfs/dbraw/zinc/51/25/77/896512577.db2.gz JTKKUTWZMDSDFX-SJKOYZFVSA-N 2 1 387.749 3.550 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000566857508 896638434 /nfs/dbraw/zinc/63/84/34/896638434.db2.gz PZCNARBAXMQPLH-UHFFFAOYSA-N 2 1 385.596 3.813 20 0 GHADMP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000567066244 896844063 /nfs/dbraw/zinc/84/40/63/896844063.db2.gz FJXLHQIKUULRNF-GGAORHGYSA-N 2 1 396.531 3.596 20 0 GHADMP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000567066244 896844080 /nfs/dbraw/zinc/84/40/80/896844080.db2.gz FJXLHQIKUULRNF-GGAORHGYSA-N 2 1 396.531 3.596 20 0 GHADMP C(C[C@@H]1CCOC1)C[NH+]1CCC[C@@]2(CCC[N@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645917890 914123502 /nfs/dbraw/zinc/12/35/02/914123502.db2.gz DADHQGJWZUDVHW-XPWALMASSA-N 2 1 378.601 3.798 20 0 GHADMP C(C[C@@H]1CCOC1)C[N@H+]1CCC[C@@]2(CCC[NH+](CCC[C@H]3CCOC3)C2)C1 ZINC000645917890 914123506 /nfs/dbraw/zinc/12/35/06/914123506.db2.gz DADHQGJWZUDVHW-XPWALMASSA-N 2 1 378.601 3.798 20 0 GHADMP C(C[C@@H]1CCOC1)C[N@@H+]1CCC[C@@]2(CCC[NH+](CCC[C@H]3CCOC3)C2)C1 ZINC000645917890 914123517 /nfs/dbraw/zinc/12/35/17/914123517.db2.gz DADHQGJWZUDVHW-XPWALMASSA-N 2 1 378.601 3.798 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567470606 897185266 /nfs/dbraw/zinc/18/52/66/897185266.db2.gz HWQVSUZFDCTKMT-OAQYLSRUSA-N 2 1 385.596 3.663 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC000883067613 897246439 /nfs/dbraw/zinc/24/64/39/897246439.db2.gz OHGQGHVOQCCVQN-UHFFFAOYSA-N 2 1 379.508 3.659 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC4(CCOCC4)CO2)C3)cc1 ZINC000883263600 897417507 /nfs/dbraw/zinc/41/75/07/897417507.db2.gz ZQEFAMBOHQFKMI-BXXSPATCSA-N 2 1 384.564 3.747 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883436337 897580705 /nfs/dbraw/zinc/58/07/05/897580705.db2.gz PZAOZKVFWXQODL-XUZZJYLKSA-N 2 1 394.563 3.976 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000568205407 897673141 /nfs/dbraw/zinc/67/31/41/897673141.db2.gz MZJYOXLZDOOURH-KRWDZBQOSA-N 2 1 383.536 3.806 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000568211312 897676234 /nfs/dbraw/zinc/67/62/34/897676234.db2.gz YZZGCGAECMNSTE-HSZRJFAPSA-N 2 1 393.575 3.823 20 0 GHADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001136428820 897803568 /nfs/dbraw/zinc/80/35/68/897803568.db2.gz NNWWRGLYFRUCDL-QFIPXVFZSA-N 2 1 385.596 3.664 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001136448693 897878403 /nfs/dbraw/zinc/87/84/03/897878403.db2.gz MHKPKMRJLUJHDE-VXKWHMMOSA-N 2 1 383.511 3.518 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000568555579 897932498 /nfs/dbraw/zinc/93/24/98/897932498.db2.gz HXVWDSODCGBEIE-UHFFFAOYSA-N 2 1 385.405 3.860 20 0 GHADMP CC[C@H](C(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000568572416 897947272 /nfs/dbraw/zinc/94/72/72/897947272.db2.gz GJQNVEKLTMNDDV-AGILITTLSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000568572416 897947284 /nfs/dbraw/zinc/94/72/84/897947284.db2.gz GJQNVEKLTMNDDV-AGILITTLSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000568572416 897947290 /nfs/dbraw/zinc/94/72/90/897947290.db2.gz GJQNVEKLTMNDDV-AGILITTLSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2C1 ZINC000568603074 897973854 /nfs/dbraw/zinc/97/38/54/897973854.db2.gz GJAAMDFFZPQJHK-IBGZPJMESA-N 2 1 387.593 3.814 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001136542137 898214512 /nfs/dbraw/zinc/21/45/12/898214512.db2.gz YJOOXEHGQFLITJ-QFBILLFUSA-N 2 1 399.501 3.683 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CC/C=C\c1ccc(Br)cc1)CCO2 ZINC000646104206 914260177 /nfs/dbraw/zinc/26/01/77/914260177.db2.gz BGHWJBTYARXTBP-RQOWECAXSA-N 2 1 379.342 3.649 20 0 GHADMP COC[C@@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)OCCc2ccccc21 ZINC000569396792 898615976 /nfs/dbraw/zinc/61/59/76/898615976.db2.gz NEVHJRKGTMESDP-HOYKHHGWSA-N 2 1 391.515 3.946 20 0 GHADMP C[C@@H](c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1)[C@H](C)[NH3+] ZINC000822956682 898753512 /nfs/dbraw/zinc/75/35/12/898753512.db2.gz NNTJUULVUIOGFL-SJORKVTESA-N 2 1 392.503 3.687 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001136651576 898767290 /nfs/dbraw/zinc/76/72/90/898767290.db2.gz MTMSYEFVSARQPB-QHCPKHFHSA-N 2 1 391.559 3.667 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000112532808 898889715 /nfs/dbraw/zinc/88/97/15/898889715.db2.gz KYNSNPAOSJPIGB-JOCHJYFZSA-N 2 1 381.520 3.588 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000112532804 898890120 /nfs/dbraw/zinc/89/01/20/898890120.db2.gz WOPBPQFAOIFUHE-HSZRJFAPSA-N 2 1 393.531 3.515 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001136686645 898901720 /nfs/dbraw/zinc/90/17/20/898901720.db2.gz LFPLNZPHMRPLMD-LJQANCHMSA-N 2 1 377.960 3.541 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](c4ccccc4)CC3)CC2)CC1 ZINC000569940108 899033222 /nfs/dbraw/zinc/03/32/22/899033222.db2.gz WQBAXTTZVNMHIX-QFIPXVFZSA-N 2 1 397.607 3.979 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000570048040 899090618 /nfs/dbraw/zinc/09/06/18/899090618.db2.gz DXVRPSQNTSFGQE-OGQGWYMCSA-N 2 1 375.601 3.643 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000570247143 899219669 /nfs/dbraw/zinc/21/96/69/899219669.db2.gz GEFQQLPXWMJWCW-DHIUTWEWSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000570247143 899219683 /nfs/dbraw/zinc/21/96/83/899219683.db2.gz GEFQQLPXWMJWCW-DHIUTWEWSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000570247143 899219695 /nfs/dbraw/zinc/21/96/95/899219695.db2.gz GEFQQLPXWMJWCW-DHIUTWEWSA-N 2 1 397.607 3.725 20 0 GHADMP C[C@H]([NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824119558 899392762 /nfs/dbraw/zinc/39/27/62/899392762.db2.gz KSQUQIFLEXRLAQ-FVLCUVFVSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)CC1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCC1 ZINC000824235831 899447100 /nfs/dbraw/zinc/44/71/00/899447100.db2.gz KOPPRFYDOZQHLN-UHFFFAOYSA-N 2 1 382.556 3.637 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000570676401 899498822 /nfs/dbraw/zinc/49/88/22/899498822.db2.gz ODQCBVIWJAATKH-QFZRFWILSA-N 2 1 394.559 3.702 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584959 899725650 /nfs/dbraw/zinc/72/56/50/899725650.db2.gz KLBRGOBITCQEBJ-CMKODMSKSA-N 2 1 390.535 3.818 20 0 GHADMP C[C@@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824930070 899893813 /nfs/dbraw/zinc/89/38/13/899893813.db2.gz ZZAJHSIDJLPITM-MSOLQXFVSA-N 2 1 382.556 3.637 20 0 GHADMP C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)c1 ZINC000572143897 900079251 /nfs/dbraw/zinc/07/92/51/900079251.db2.gz ZJXGBPCVUREFQB-IZRJCCQOSA-N 2 1 390.568 3.520 20 0 GHADMP C[C@H](c1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000572281963 900126276 /nfs/dbraw/zinc/12/62/76/900126276.db2.gz XXUCJLHKPGMKCC-UTKZUKDTSA-N 2 1 381.520 3.745 20 0 GHADMP O=c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000134900460 900143698 /nfs/dbraw/zinc/14/36/98/900143698.db2.gz IWFQYXLTDLVHGL-GCJKJVERSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000134900460 900143708 /nfs/dbraw/zinc/14/37/08/900143708.db2.gz IWFQYXLTDLVHGL-GCJKJVERSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000134900460 900143712 /nfs/dbraw/zinc/14/37/12/900143712.db2.gz IWFQYXLTDLVHGL-GCJKJVERSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000134900460 900143718 /nfs/dbraw/zinc/14/37/18/900143718.db2.gz IWFQYXLTDLVHGL-GCJKJVERSA-N 2 1 378.516 3.730 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000572426052 900181408 /nfs/dbraw/zinc/18/14/08/900181408.db2.gz QKHWWVDTYZEDOM-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(C3([NH3+])CCCC3)no2)C1 ZINC000572841413 900289762 /nfs/dbraw/zinc/28/97/62/900289762.db2.gz UEBFJXSKCIFSEV-UHFFFAOYSA-N 2 1 379.508 3.567 20 0 GHADMP Cn1cncc1CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000573216756 900415330 /nfs/dbraw/zinc/41/53/30/900415330.db2.gz BUVMJODOIDMHOC-INIZCTEOSA-N 2 1 385.899 3.936 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000573216756 900415334 /nfs/dbraw/zinc/41/53/34/900415334.db2.gz BUVMJODOIDMHOC-INIZCTEOSA-N 2 1 385.899 3.936 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000573216756 900415338 /nfs/dbraw/zinc/41/53/38/900415338.db2.gz BUVMJODOIDMHOC-INIZCTEOSA-N 2 1 385.899 3.936 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000573584915 900568603 /nfs/dbraw/zinc/56/86/03/900568603.db2.gz MGIAVVVZFKFESN-BHIYHBOVSA-N 2 1 397.485 3.519 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000573845778 900662249 /nfs/dbraw/zinc/66/22/49/900662249.db2.gz SMYBEVXTMSTXNL-MRXNPFEDSA-N 2 1 379.342 3.548 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)CC2)oc1C ZINC000885980332 900665464 /nfs/dbraw/zinc/66/54/64/900665464.db2.gz YXQZDVMBSAZEBY-HXUWFJFHSA-N 2 1 375.557 3.975 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844355241 900754433 /nfs/dbraw/zinc/75/44/33/900754433.db2.gz MRJQBDDPWZNSSG-UFYCRDLUSA-N 2 1 397.604 3.503 20 0 GHADMP CCCCc1oc2ccccc2c1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000574239314 900830303 /nfs/dbraw/zinc/83/03/03/900830303.db2.gz AHVVZTBPSBRGBG-UHFFFAOYSA-N 2 1 397.563 3.761 20 0 GHADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462524 900896373 /nfs/dbraw/zinc/89/63/73/900896373.db2.gz YCZOPYYVDDPTMN-XUVXKRRUSA-N 2 1 397.604 3.645 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462524 900896383 /nfs/dbraw/zinc/89/63/83/900896383.db2.gz YCZOPYYVDDPTMN-XUVXKRRUSA-N 2 1 397.604 3.645 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCc2c(C)nc3ccccn3c2=O)CC1)CC(C)C ZINC000574607640 900946743 /nfs/dbraw/zinc/94/67/43/900946743.db2.gz DCXMIILLGDACAE-UHFFFAOYSA-N 2 1 398.595 3.625 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000574904781 901047025 /nfs/dbraw/zinc/04/70/25/901047025.db2.gz IPQKQJXCHIPRPK-OSZJIOELSA-N 2 1 388.552 3.647 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000886526017 901124583 /nfs/dbraw/zinc/12/45/83/901124583.db2.gz CODHERYZIZWLAZ-VUBSUSDNSA-N 2 1 376.504 3.972 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cccs1 ZINC000886547363 901146230 /nfs/dbraw/zinc/14/62/30/901146230.db2.gz KIEHDJAKBJLMCV-ZCNNSNEGSA-N 2 1 383.561 3.511 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177037 901196985 /nfs/dbraw/zinc/19/69/85/901196985.db2.gz ILDHUQZBBAMXGK-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177037 901196988 /nfs/dbraw/zinc/19/69/88/901196988.db2.gz ILDHUQZBBAMXGK-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177037 901196997 /nfs/dbraw/zinc/19/69/97/901196997.db2.gz ILDHUQZBBAMXGK-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177037 901197004 /nfs/dbraw/zinc/19/70/04/901197004.db2.gz ILDHUQZBBAMXGK-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144177306 901199323 /nfs/dbraw/zinc/19/93/23/901199323.db2.gz XVPBAQCAIAEAIF-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP Cc1[nH]c(C2CC[NH+](CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)[nH+]c1C ZINC000886661091 901212210 /nfs/dbraw/zinc/21/22/10/901212210.db2.gz MDOGCUQIIOZVQN-QGZVFWFLSA-N 2 1 376.545 3.853 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000575822260 901336507 /nfs/dbraw/zinc/33/65/07/901336507.db2.gz ITIXOMCXODZIIQ-DLBZAZTESA-N 2 1 379.504 3.894 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000158413392 901411944 /nfs/dbraw/zinc/41/19/44/901411944.db2.gz FXDBXIOQXAJTIV-UHFFFAOYSA-N 2 1 378.495 3.808 20 0 GHADMP CCC[C@H]1CCCC[C@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000576001914 901576668 /nfs/dbraw/zinc/57/66/68/901576668.db2.gz MGLMSHOUHCAWQW-FPOVZHCZSA-N 2 1 377.617 3.905 20 0 GHADMP C[NH+](C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000576029086 901604567 /nfs/dbraw/zinc/60/45/67/901604567.db2.gz QRYLHWUMOKDCGT-UHFFFAOYSA-N 2 1 388.577 3.609 20 0 GHADMP CCc1cccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001144321263 901728535 /nfs/dbraw/zinc/72/85/35/901728535.db2.gz FMONQTQXECNHFX-WXFUMESZSA-N 2 1 386.580 3.729 20 0 GHADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646497113 914567943 /nfs/dbraw/zinc/56/79/43/914567943.db2.gz PAAVQSYTRCBKAM-BEFAXECRSA-N 2 1 398.378 3.982 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000123036201 901888615 /nfs/dbraw/zinc/88/86/15/901888615.db2.gz XBORUXGTXZUIRF-INIZCTEOSA-N 2 1 390.524 3.676 20 0 GHADMP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576512398 902069024 /nfs/dbraw/zinc/06/90/24/902069024.db2.gz TZRFWTUSEXBFOE-FGZHOGPDSA-N 2 1 382.548 3.661 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000576836164 902292260 /nfs/dbraw/zinc/29/22/60/902292260.db2.gz SASRICMLRJIGBN-CEWLAPEOSA-N 2 1 375.601 3.658 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000127027698 902409165 /nfs/dbraw/zinc/40/91/65/902409165.db2.gz IYLOFJWHFNZKLM-QHCPKHFHSA-N 2 1 395.547 3.522 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000127027698 902409175 /nfs/dbraw/zinc/40/91/75/902409175.db2.gz IYLOFJWHFNZKLM-QHCPKHFHSA-N 2 1 395.547 3.522 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4CCc5[nH+]ccn5C4)n3)cc2)CC1 ZINC000577334600 902692576 /nfs/dbraw/zinc/69/25/76/902692576.db2.gz HZIUVYUNLJLMIU-IBGZPJMESA-N 2 1 377.492 3.895 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779020024 902985605 /nfs/dbraw/zinc/98/56/05/902985605.db2.gz RHQCLYPAUSKEOD-HMXCVIKNSA-N 2 1 387.568 3.711 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000290426694 914676836 /nfs/dbraw/zinc/67/68/36/914676836.db2.gz UWTIRGIVOZSQES-WMZHIEFXSA-N 2 1 375.516 3.902 20 0 GHADMP CC(C)(C)C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC001171229122 903027351 /nfs/dbraw/zinc/02/73/51/903027351.db2.gz HWULHIBIWVGIJS-LJQANCHMSA-N 2 1 389.609 3.932 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000577787179 903190250 /nfs/dbraw/zinc/19/02/50/903190250.db2.gz CEEURSMWAGCKRJ-CVDCTZTESA-N 2 1 378.564 3.990 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000132745847 903303177 /nfs/dbraw/zinc/30/31/77/903303177.db2.gz REGZLMMPGBUOBT-LSDHHAIUSA-N 2 1 397.357 3.609 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cnn1-c1cc(C)ccc1C ZINC000132769615 903306658 /nfs/dbraw/zinc/30/66/58/903306658.db2.gz UVZZUDNWMHKZJV-TZIWHRDSSA-N 2 1 396.579 3.949 20 0 GHADMP Cc1cnn(CCCCC[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000264750260 903356960 /nfs/dbraw/zinc/35/69/60/903356960.db2.gz WHJMEMCTVZIPON-XMMPIXPASA-N 2 1 398.595 3.739 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000578040158 903467011 /nfs/dbraw/zinc/46/70/11/903467011.db2.gz IKVJMZXQOMYCIZ-HJNYFJLDSA-N 2 1 399.604 3.764 20 0 GHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000779056823 903618445 /nfs/dbraw/zinc/61/84/45/903618445.db2.gz AREJSQBOXJBTFQ-YXGDDWOBSA-N 2 1 379.589 3.873 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000779056823 903618450 /nfs/dbraw/zinc/61/84/50/903618450.db2.gz AREJSQBOXJBTFQ-YXGDDWOBSA-N 2 1 379.589 3.873 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001146934008 903643781 /nfs/dbraw/zinc/64/37/81/903643781.db2.gz KARYYSGIFKLFMA-WOJBJXKFSA-N 2 1 387.568 3.992 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000779064789 903727514 /nfs/dbraw/zinc/72/75/14/903727514.db2.gz NIVQGKYOMFTSOM-NNMXDRDESA-N 2 1 387.568 3.744 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OC ZINC000265465561 903909454 /nfs/dbraw/zinc/90/94/54/903909454.db2.gz HYRCEXCYDJTYGA-FQEVSTJZSA-N 2 1 390.568 3.855 20 0 GHADMP CC[NH+](CCOCC[N@H+](CC)[C@H]1CCOC(C)(C)C1)[C@H]1CCOC(C)(C)C1 ZINC000578700750 904062661 /nfs/dbraw/zinc/06/26/61/904062661.db2.gz FQVOYPJSTUNSDV-PMACEKPBSA-N 2 1 384.605 3.562 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000151355696 904112342 /nfs/dbraw/zinc/11/23/42/904112342.db2.gz YJJSPZIBLGHGRA-CQSZACIVSA-N 2 1 376.488 3.838 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000151368230 904117141 /nfs/dbraw/zinc/11/71/41/904117141.db2.gz NMPUITJEEOZGJZ-SFHVURJKSA-N 2 1 389.540 3.763 20 0 GHADMP COc1cccc(CC2([NH3+])CC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)CC2)c1 ZINC001171357765 904348274 /nfs/dbraw/zinc/34/82/74/904348274.db2.gz NTRUHFVDGCMEJC-IBGZPJMESA-N 2 1 386.486 3.867 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369751 904368342 /nfs/dbraw/zinc/36/83/42/904368342.db2.gz IHOFFNAODZVKLN-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369751 904368356 /nfs/dbraw/zinc/36/83/56/904368356.db2.gz IHOFFNAODZVKLN-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369751 904368369 /nfs/dbraw/zinc/36/83/69/904368369.db2.gz IHOFFNAODZVKLN-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369751 904368383 /nfs/dbraw/zinc/36/83/83/904368383.db2.gz IHOFFNAODZVKLN-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CCc4c(F)cccc4C3)CC[C@@H]21 ZINC001171429439 904589626 /nfs/dbraw/zinc/58/96/26/904589626.db2.gz ICRZUQLBHBZITM-XBJMDHIQSA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CCc4c(F)cccc4C3)CC[C@@H]21 ZINC001171429439 904589633 /nfs/dbraw/zinc/58/96/33/904589633.db2.gz ICRZUQLBHBZITM-XBJMDHIQSA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CCc4c(F)cccc4C3)CC[C@@H]21 ZINC001171429439 904589644 /nfs/dbraw/zinc/58/96/44/904589644.db2.gz ICRZUQLBHBZITM-XBJMDHIQSA-N 2 1 396.554 3.753 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC001171625811 904888594 /nfs/dbraw/zinc/88/85/94/904888594.db2.gz OMVSTPNTABDCOS-HXUWFJFHSA-N 2 1 394.003 3.954 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@H]12 ZINC001171638351 904927362 /nfs/dbraw/zinc/92/73/62/904927362.db2.gz UEZXLUPEUACHJI-WIOPSUGQSA-N 2 1 397.607 3.902 20 0 GHADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001171730366 904957717 /nfs/dbraw/zinc/95/77/17/904957717.db2.gz XUHFDCYHIDMDMJ-YLJYHZDGSA-N 2 1 394.519 3.535 20 0 GHADMP COc1cccc(N([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001171760642 904995288 /nfs/dbraw/zinc/99/52/88/904995288.db2.gz YUEKVIKMZJXVIE-WMZHIEFXSA-N 2 1 379.548 3.917 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171966595 905174777 /nfs/dbraw/zinc/17/47/77/905174777.db2.gz LSRSTMUSIMGKFJ-PKTZIBPZSA-N 2 1 382.548 3.597 20 0 GHADMP COc1cc(O[C@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991037 905200168 /nfs/dbraw/zinc/20/01/68/905200168.db2.gz QNVIJCHIEWTUHO-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991037 905200177 /nfs/dbraw/zinc/20/01/77/905200177.db2.gz QNVIJCHIEWTUHO-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991037 905200183 /nfs/dbraw/zinc/20/01/83/905200183.db2.gz QNVIJCHIEWTUHO-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001171976839 905222760 /nfs/dbraw/zinc/22/27/60/905222760.db2.gz UPCSETSCYKPZDG-LADGPHEKSA-N 2 1 393.575 3.925 20 0 GHADMP CC(C)NC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977878 905225730 /nfs/dbraw/zinc/22/57/30/905225730.db2.gz DXMNGNLOTVGMRV-NRFANRHFSA-N 2 1 386.584 3.602 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982512 905234370 /nfs/dbraw/zinc/23/43/70/905234370.db2.gz UQEOGPYGIJVJNK-WPFOTENUSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982512 905234389 /nfs/dbraw/zinc/23/43/89/905234389.db2.gz UQEOGPYGIJVJNK-WPFOTENUSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982512 905234406 /nfs/dbraw/zinc/23/44/06/905234406.db2.gz UQEOGPYGIJVJNK-WPFOTENUSA-N 2 1 386.580 3.947 20 0 GHADMP [NH3+]Cc1ccc2c(n1)N([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCC2 ZINC001172073414 905278143 /nfs/dbraw/zinc/27/81/43/905278143.db2.gz QKMMWPWTQSOBRE-JKHIJQBDSA-N 2 1 376.548 3.879 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001172079058 905290860 /nfs/dbraw/zinc/29/08/60/905290860.db2.gz KYVIWANBOJENHX-BKFWDETESA-N 2 1 376.548 3.789 20 0 GHADMP C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125397 905338802 /nfs/dbraw/zinc/33/88/02/905338802.db2.gz QOZKRWXIQYJANL-ACDBMABISA-N 2 1 379.589 3.971 20 0 GHADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125397 905338826 /nfs/dbraw/zinc/33/88/26/905338826.db2.gz QOZKRWXIQYJANL-ACDBMABISA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125397 905338837 /nfs/dbraw/zinc/33/88/37/905338837.db2.gz QOZKRWXIQYJANL-ACDBMABISA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125397 905338855 /nfs/dbraw/zinc/33/88/55/905338855.db2.gz QOZKRWXIQYJANL-ACDBMABISA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001172125890 905341245 /nfs/dbraw/zinc/34/12/45/905341245.db2.gz RIDUNYYEIUXMBH-NMLBUPMWSA-N 2 1 379.589 3.969 20 0 GHADMP CCn1c2ccccc2nc1N1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172111313 905359304 /nfs/dbraw/zinc/35/93/04/905359304.db2.gz PXVHRUUFIRYKIS-OWZKRDHZSA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172111313 905359318 /nfs/dbraw/zinc/35/93/18/905359318.db2.gz PXVHRUUFIRYKIS-OWZKRDHZSA-N 2 1 381.568 3.630 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115820 905368156 /nfs/dbraw/zinc/36/81/56/905368156.db2.gz BSDCQPODSMTWSF-KNAFXUBQSA-N 2 1 395.591 3.559 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115820 905368168 /nfs/dbraw/zinc/36/81/68/905368168.db2.gz BSDCQPODSMTWSF-KNAFXUBQSA-N 2 1 395.591 3.559 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115820 905368185 /nfs/dbraw/zinc/36/81/85/905368185.db2.gz BSDCQPODSMTWSF-KNAFXUBQSA-N 2 1 395.591 3.559 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCC(=O)N3Cc3cccc(F)c3)CC1)C2 ZINC001172117067 905370578 /nfs/dbraw/zinc/37/05/78/905370578.db2.gz NZECCYBHXSDFJZ-ZBYYUNFXSA-N 2 1 399.554 3.798 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C1)CCN(C(=O)c1ccsc1)CC3)C2 ZINC001172116792 905370974 /nfs/dbraw/zinc/37/09/74/905370974.db2.gz GMNPLZMJVSXQBP-PMOLBWCYSA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC3(C1)CCN(C(=O)c1ccsc1)CC3)C2 ZINC001172116792 905370988 /nfs/dbraw/zinc/37/09/88/905370988.db2.gz GMNPLZMJVSXQBP-PMOLBWCYSA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC3(C1)CCN(C(=O)c1ccsc1)CC3)C2 ZINC001172116792 905370999 /nfs/dbraw/zinc/37/09/99/905370999.db2.gz GMNPLZMJVSXQBP-PMOLBWCYSA-N 2 1 387.593 3.692 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COc3cccnc3)CC1)C2 ZINC001172118732 905374331 /nfs/dbraw/zinc/37/43/31/905374331.db2.gz YDTQMCJBPVBHKY-YUMYIRISSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COc3cccnc3)CC1)C2 ZINC001172118732 905374351 /nfs/dbraw/zinc/37/43/51/905374351.db2.gz YDTQMCJBPVBHKY-YUMYIRISSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117995 905376620 /nfs/dbraw/zinc/37/66/20/905376620.db2.gz UAZNBDXEUCDZSF-HOUBMWHVSA-N 2 1 399.554 3.656 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117995 905376636 /nfs/dbraw/zinc/37/66/36/905376636.db2.gz UAZNBDXEUCDZSF-HOUBMWHVSA-N 2 1 399.554 3.656 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117995 905376650 /nfs/dbraw/zinc/37/66/50/905376650.db2.gz UAZNBDXEUCDZSF-HOUBMWHVSA-N 2 1 399.554 3.656 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117995 905376664 /nfs/dbraw/zinc/37/66/64/905376664.db2.gz UAZNBDXEUCDZSF-HOUBMWHVSA-N 2 1 399.554 3.656 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCC(=O)N3Cc3ccccc3)CC1)C2 ZINC001172123221 905383489 /nfs/dbraw/zinc/38/34/89/905383489.db2.gz YOUZWHBLFOFGQL-ZBYYUNFXSA-N 2 1 381.564 3.659 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172224760 905424765 /nfs/dbraw/zinc/42/47/65/905424765.db2.gz NMJGADJEDSEXFS-MSRNWOCLSA-N 2 1 376.566 3.513 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H](C[N@H+](CC)C2CC[NH+](CCCOC)CC2)CC1 ZINC001172254252 905448542 /nfs/dbraw/zinc/44/85/42/905448542.db2.gz JGWWTXAGFRMCFS-MXVIHJGJSA-N 2 1 382.589 3.569 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C2CC[NH+](CCCOC)CC2)CC1 ZINC001172254252 905448556 /nfs/dbraw/zinc/44/85/56/905448556.db2.gz JGWWTXAGFRMCFS-MXVIHJGJSA-N 2 1 382.589 3.569 20 0 GHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)C[C@H]1C ZINC001172376696 905488072 /nfs/dbraw/zinc/48/80/72/905488072.db2.gz JSIWRDWIESOOMS-ZQSDSYPGSA-N 2 1 378.601 3.791 20 0 GHADMP CC[C@@H](CC(C)C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172406818 905534269 /nfs/dbraw/zinc/53/42/69/905534269.db2.gz LHHSABQOMPSHPH-QHCPKHFHSA-N 2 1 385.596 3.868 20 0 GHADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001172469082 905550937 /nfs/dbraw/zinc/55/09/37/905550937.db2.gz ZNSUPTWOEKDEBB-FGCOXFRFSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172469082 905550954 /nfs/dbraw/zinc/55/09/54/905550954.db2.gz ZNSUPTWOEKDEBB-FGCOXFRFSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172469082 905550957 /nfs/dbraw/zinc/55/09/57/905550957.db2.gz ZNSUPTWOEKDEBB-FGCOXFRFSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001172445884 905563022 /nfs/dbraw/zinc/56/30/22/905563022.db2.gz GQCMBKIDVSBCCT-AJSBUHFISA-N 2 1 378.601 3.651 20 0 GHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172445884 905563035 /nfs/dbraw/zinc/56/30/35/905563035.db2.gz GQCMBKIDVSBCCT-AJSBUHFISA-N 2 1 378.601 3.651 20 0 GHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172445884 905563050 /nfs/dbraw/zinc/56/30/50/905563050.db2.gz GQCMBKIDVSBCCT-AJSBUHFISA-N 2 1 378.601 3.651 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682776 905734710 /nfs/dbraw/zinc/73/47/10/905734710.db2.gz RKYLGQWEBHYBNF-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682776 905734718 /nfs/dbraw/zinc/73/47/18/905734718.db2.gz RKYLGQWEBHYBNF-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682776 905734734 /nfs/dbraw/zinc/73/47/34/905734734.db2.gz RKYLGQWEBHYBNF-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001172808726 905840304 /nfs/dbraw/zinc/84/03/04/905840304.db2.gz PWRRCICYUOOUCQ-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001172808726 905840316 /nfs/dbraw/zinc/84/03/16/905840316.db2.gz PWRRCICYUOOUCQ-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001172808726 905840329 /nfs/dbraw/zinc/84/03/29/905840329.db2.gz PWRRCICYUOOUCQ-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172960404 906068597 /nfs/dbraw/zinc/06/85/97/906068597.db2.gz XSWYMRKHPJKXBT-QZTJIDSGSA-N 2 1 397.604 3.644 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C2CCC4(CCOCC4)CC2)CC3)cn1 ZINC001173046121 906115791 /nfs/dbraw/zinc/11/57/91/906115791.db2.gz RVFZYRUDZKCAEY-UHFFFAOYSA-N 2 1 386.584 3.590 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C2CCC4(CCOCC4)CC2)CC3)cn1 ZINC001173046121 906115802 /nfs/dbraw/zinc/11/58/02/906115802.db2.gz RVFZYRUDZKCAEY-UHFFFAOYSA-N 2 1 386.584 3.590 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001173061996 906139082 /nfs/dbraw/zinc/13/90/82/906139082.db2.gz RVPMSBCHEAREFI-VQIMIIECSA-N 2 1 391.531 3.864 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001173062631 906140617 /nfs/dbraw/zinc/14/06/17/906140617.db2.gz VFAIBTYZEMDOKY-APWZRJJASA-N 2 1 391.531 3.864 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173073660 906167947 /nfs/dbraw/zinc/16/79/47/906167947.db2.gz PRODFETYOZJCQI-PKOBYXMFSA-N 2 1 388.556 3.736 20 0 GHADMP CCOC[C@@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2ncn(CC3CC3)c21 ZINC001173109182 906194932 /nfs/dbraw/zinc/19/49/32/906194932.db2.gz GZFAPAZDCSILCO-MWXLCCTBSA-N 2 1 388.600 3.882 20 0 GHADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2ncn(CC3CC3)c21 ZINC001173109182 906194937 /nfs/dbraw/zinc/19/49/37/906194937.db2.gz GZFAPAZDCSILCO-MWXLCCTBSA-N 2 1 388.600 3.882 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)CC1 ZINC001173110353 906197420 /nfs/dbraw/zinc/19/74/20/906197420.db2.gz KAFLSPHHMTXZDQ-QKQBLWMGSA-N 2 1 387.568 3.593 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)CC1 ZINC001173111000 906198934 /nfs/dbraw/zinc/19/89/34/906198934.db2.gz QLCSWSDDCFISGY-CXMUWEKQSA-N 2 1 399.623 3.657 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)CC1 ZINC001173111238 906198961 /nfs/dbraw/zinc/19/89/61/906198961.db2.gz TWFBOJOYUOMUIY-IWAAJCSBSA-N 2 1 398.595 3.549 20 0 GHADMP CCOC[C@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2c1cnn2CC1CC1 ZINC001173112243 906201723 /nfs/dbraw/zinc/20/17/23/906201723.db2.gz YNYYIKMMPSWGEZ-QNGMFEMESA-N 2 1 388.600 3.882 20 0 GHADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2c1cnn2CC1CC1 ZINC001173112243 906201743 /nfs/dbraw/zinc/20/17/43/906201743.db2.gz YNYYIKMMPSWGEZ-QNGMFEMESA-N 2 1 388.600 3.882 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccsc2)no1 ZINC000179390807 906491673 /nfs/dbraw/zinc/49/16/73/906491673.db2.gz JGOBSBLBYXNBOB-UHFFFAOYSA-N 2 1 383.521 3.932 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173604909 906557341 /nfs/dbraw/zinc/55/73/41/906557341.db2.gz ASOJPHTWHIRJEB-XTOWJZAESA-N 2 1 385.552 3.666 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)n1 ZINC000180106531 906691667 /nfs/dbraw/zinc/69/16/67/906691667.db2.gz SLKFABKAEVALLP-CWAQXLGLSA-N 2 1 387.531 3.612 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OCc1ccncc1 ZINC000299309454 921288208 /nfs/dbraw/zinc/28/82/08/921288208.db2.gz DQFNUWVYJBVYHN-UHFFFAOYSA-N 2 1 381.520 3.776 20 0 GHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000182077446 907130398 /nfs/dbraw/zinc/13/03/98/907130398.db2.gz UNRHNFOBZUXMDC-MRXNPFEDSA-N 2 1 384.524 3.813 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC(F)F)c1 ZINC000182272379 907173019 /nfs/dbraw/zinc/17/30/19/907173019.db2.gz HVKIZZBKBCAJMB-BEFAXECRSA-N 2 1 376.447 3.705 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479061 907293746 /nfs/dbraw/zinc/29/37/46/907293746.db2.gz UNGULMDCFJREAB-JOCHJYFZSA-N 2 1 387.568 3.699 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479061 907293757 /nfs/dbraw/zinc/29/37/57/907293757.db2.gz UNGULMDCFJREAB-JOCHJYFZSA-N 2 1 387.568 3.699 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479061 907293769 /nfs/dbraw/zinc/29/37/69/907293769.db2.gz UNGULMDCFJREAB-JOCHJYFZSA-N 2 1 387.568 3.699 20 0 GHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183188095 907347449 /nfs/dbraw/zinc/34/74/49/907347449.db2.gz ULDMNCFXMVEQGR-BFYDXBDKSA-N 2 1 382.545 3.533 20 0 GHADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183188095 907347469 /nfs/dbraw/zinc/34/74/69/907347469.db2.gz ULDMNCFXMVEQGR-BFYDXBDKSA-N 2 1 382.545 3.533 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccncc3Br)cc2)CC1 ZINC000631131601 907598152 /nfs/dbraw/zinc/59/81/52/907598152.db2.gz XVSABEYIPKJINT-UHFFFAOYSA-N 2 1 390.325 3.607 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC001175523061 907601696 /nfs/dbraw/zinc/60/16/96/907601696.db2.gz OKJIBHNVAHTUMK-QFIPXVFZSA-N 2 1 386.543 3.938 20 0 GHADMP COc1ccccc1[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001175620250 907670631 /nfs/dbraw/zinc/67/06/31/907670631.db2.gz BAFFUZVWKMLKOC-FGZHOGPDSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001175620250 907670639 /nfs/dbraw/zinc/67/06/39/907670639.db2.gz BAFFUZVWKMLKOC-FGZHOGPDSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001175620250 907670649 /nfs/dbraw/zinc/67/06/49/907670649.db2.gz BAFFUZVWKMLKOC-FGZHOGPDSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001175620250 907670657 /nfs/dbraw/zinc/67/06/57/907670657.db2.gz BAFFUZVWKMLKOC-FGZHOGPDSA-N 2 1 382.548 3.758 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC001176037961 907897376 /nfs/dbraw/zinc/89/73/76/907897376.db2.gz CYTDAGNUKKYCAN-QFIPXVFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC001176037961 907897388 /nfs/dbraw/zinc/89/73/88/907897388.db2.gz CYTDAGNUKKYCAN-QFIPXVFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CCCCC1 ZINC001176037961 907897409 /nfs/dbraw/zinc/89/74/09/907897409.db2.gz CYTDAGNUKKYCAN-QFIPXVFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001176366153 908080527 /nfs/dbraw/zinc/08/05/27/908080527.db2.gz XXMNUYLQMJJWAM-WTIAFYNJSA-N 2 1 379.548 3.674 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC001177266128 908506984 /nfs/dbraw/zinc/50/69/84/908506984.db2.gz AYPMUTTZPWQHOJ-UIFIKXQLSA-N 2 1 376.516 3.784 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccco3)CC2)CC1 ZINC001177618100 908672260 /nfs/dbraw/zinc/67/22/60/908672260.db2.gz ICKPKZQNJJBOQD-JOCHJYFZSA-N 2 1 387.568 3.605 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccco3)CC2)CC1 ZINC001177618100 908672267 /nfs/dbraw/zinc/67/22/67/908672267.db2.gz ICKPKZQNJJBOQD-JOCHJYFZSA-N 2 1 387.568 3.605 20 0 GHADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cnc(-c3ccsc3)s2)c2ccccc2)CC1 ZINC001177638400 908685531 /nfs/dbraw/zinc/68/55/31/908685531.db2.gz YKHFENZXWJCUMA-HXUWFJFHSA-N 2 1 398.601 3.950 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccco4)s3)c2)CCO1 ZINC000193043296 908846329 /nfs/dbraw/zinc/84/63/29/908846329.db2.gz AVJLGCUKQMEOLU-INIZCTEOSA-N 2 1 383.517 3.914 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccco4)s3)c2)CCO1 ZINC000193043296 908846352 /nfs/dbraw/zinc/84/63/52/908846352.db2.gz AVJLGCUKQMEOLU-INIZCTEOSA-N 2 1 383.517 3.914 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC001179266705 909447494 /nfs/dbraw/zinc/44/74/94/909447494.db2.gz WBFDWLLINFXFLW-SFHVURJKSA-N 2 1 378.520 3.978 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001179338816 909497338 /nfs/dbraw/zinc/49/73/38/909497338.db2.gz OSHWMTCNYIUQAO-LAUBAEHRSA-N 2 1 386.511 3.975 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001179338816 909497346 /nfs/dbraw/zinc/49/73/46/909497346.db2.gz OSHWMTCNYIUQAO-LAUBAEHRSA-N 2 1 386.511 3.975 20 0 GHADMP CC(C)(C)[C@]1(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001179980528 909848402 /nfs/dbraw/zinc/84/84/02/909848402.db2.gz RHSZZBRALIYVJL-CQOQZXRMSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001179980528 909848414 /nfs/dbraw/zinc/84/84/14/909848414.db2.gz RHSZZBRALIYVJL-CQOQZXRMSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001179980528 909848431 /nfs/dbraw/zinc/84/84/31/909848431.db2.gz RHSZZBRALIYVJL-CQOQZXRMSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001179980528 909848442 /nfs/dbraw/zinc/84/84/42/909848442.db2.gz RHSZZBRALIYVJL-CQOQZXRMSA-N 2 1 386.580 3.805 20 0 GHADMP O=c1c(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cccn1C(F)F ZINC000638064251 910045165 /nfs/dbraw/zinc/04/51/65/910045165.db2.gz SONBTUJVHWXLLW-QFIPXVFZSA-N 2 1 387.474 3.732 20 0 GHADMP O=c1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cccn1C(F)F ZINC000638064251 910045181 /nfs/dbraw/zinc/04/51/81/910045181.db2.gz SONBTUJVHWXLLW-QFIPXVFZSA-N 2 1 387.474 3.732 20 0 GHADMP O=c1c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cccn1C(F)F ZINC000638064251 910045199 /nfs/dbraw/zinc/04/51/99/910045199.db2.gz SONBTUJVHWXLLW-QFIPXVFZSA-N 2 1 387.474 3.732 20 0 GHADMP O=c1c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccn1C(F)F ZINC000638064251 910045216 /nfs/dbraw/zinc/04/52/16/910045216.db2.gz SONBTUJVHWXLLW-QFIPXVFZSA-N 2 1 387.474 3.732 20 0 GHADMP C[NH+](C)Cc1ccc(C(N)=O)cc1N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638257929 910099243 /nfs/dbraw/zinc/09/92/43/910099243.db2.gz DCDCNQDNPXZKHK-NFBKMPQASA-N 2 1 392.547 3.627 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1)C1CC[NH+](C)CC1 ZINC000246108348 910104371 /nfs/dbraw/zinc/10/43/71/910104371.db2.gz JQRBUZRGOAHANG-FYYLOGMGSA-N 2 1 397.563 3.898 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)cc2)n1 ZINC000638338476 910126144 /nfs/dbraw/zinc/12/61/44/910126144.db2.gz BMHHLEIRPGUYKX-VWNXMTODSA-N 2 1 387.531 3.784 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)cc2)n1 ZINC000638338476 910126158 /nfs/dbraw/zinc/12/61/58/910126158.db2.gz BMHHLEIRPGUYKX-VWNXMTODSA-N 2 1 387.531 3.784 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccc(Br)cc1 ZINC000638358277 910131316 /nfs/dbraw/zinc/13/13/16/910131316.db2.gz ARGFJNZKXBICPT-BPAFIMBUSA-N 2 1 392.385 3.658 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638474463 910161165 /nfs/dbraw/zinc/16/11/65/910161165.db2.gz LZLIVVQSDZZHMZ-ICSRJNTNSA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638474463 910161172 /nfs/dbraw/zinc/16/11/72/910161172.db2.gz LZLIVVQSDZZHMZ-ICSRJNTNSA-N 2 1 381.486 3.971 20 0 GHADMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639081288 910310035 /nfs/dbraw/zinc/31/00/35/910310035.db2.gz XHUVUKVWPOPDRO-XXTHSBEZSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639081288 910310053 /nfs/dbraw/zinc/31/00/53/910310053.db2.gz XHUVUKVWPOPDRO-XXTHSBEZSA-N 2 1 380.536 3.598 20 0 GHADMP COCCc1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000639204545 910349960 /nfs/dbraw/zinc/34/99/60/910349960.db2.gz CGIAKWKKIMIMAO-UHFFFAOYSA-N 2 1 385.577 3.820 20 0 GHADMP CCN(c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1)C(C)C ZINC000246533664 910359796 /nfs/dbraw/zinc/35/97/96/910359796.db2.gz JYHZRLOHSTWXFX-NQIIRXRSSA-N 2 1 383.540 3.639 20 0 GHADMP CCN(c1ccc(NC(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1)C(C)C ZINC000246533664 910359812 /nfs/dbraw/zinc/35/98/12/910359812.db2.gz JYHZRLOHSTWXFX-NQIIRXRSSA-N 2 1 383.540 3.639 20 0 GHADMP COC(=O)c1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1Br ZINC001180811571 910379984 /nfs/dbraw/zinc/37/99/84/910379984.db2.gz SPFHVKULXJPLMB-CQSZACIVSA-N 2 1 383.330 3.590 20 0 GHADMP c1ccc(C(C[NH+]2CCC3(C2)CCOCC3)C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000639502707 910471034 /nfs/dbraw/zinc/47/10/34/910471034.db2.gz GXIXQUGVAWEQGX-UHFFFAOYSA-N 2 1 398.591 3.775 20 0 GHADMP c1ccc(C(C[NH+]2CCC[C@]3(CCOC3)C2)C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000639666617 910599203 /nfs/dbraw/zinc/59/92/03/910599203.db2.gz MYDFSJMGSYAOTA-DQEYMECFSA-N 2 1 398.591 3.775 20 0 GHADMP Fc1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639776773 910658127 /nfs/dbraw/zinc/65/81/27/910658127.db2.gz FRNJAKCMDPBNNG-VXKWHMMOSA-N 2 1 394.498 3.946 20 0 GHADMP Fc1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639776773 910658137 /nfs/dbraw/zinc/65/81/37/910658137.db2.gz FRNJAKCMDPBNNG-VXKWHMMOSA-N 2 1 394.498 3.946 20 0 GHADMP C[N@@H+](CCN1CCN(Cc2ccccc2)CC1)Cc1cc2cc(Cl)cnc2o1 ZINC001181638497 910865624 /nfs/dbraw/zinc/86/56/24/910865624.db2.gz UKBCYFHSAODDTA-UHFFFAOYSA-N 2 1 398.938 3.731 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc2cc(Cl)cnc2o1 ZINC001181638497 910865665 /nfs/dbraw/zinc/86/56/65/910865665.db2.gz UKBCYFHSAODDTA-UHFFFAOYSA-N 2 1 398.938 3.731 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181869605 911051910 /nfs/dbraw/zinc/05/19/10/911051910.db2.gz XWZXHGXKKYWSTG-MXVIHJGJSA-N 2 1 377.548 3.936 20 0 GHADMP C[NH+](C)Cc1ccnc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000640559817 911064819 /nfs/dbraw/zinc/06/48/19/911064819.db2.gz STHBASDKHWKUKP-UHFFFAOYSA-N 2 1 395.551 3.519 20 0 GHADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001182042041 911144298 /nfs/dbraw/zinc/14/42/98/911144298.db2.gz SRAIPFJPHXYINM-QFIPXVFZSA-N 2 1 393.531 3.672 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001182345751 911518433 /nfs/dbraw/zinc/51/84/33/911518433.db2.gz OQRZNPTZGQHJDJ-FGZHOGPDSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182345751 911518443 /nfs/dbraw/zinc/51/84/43/911518443.db2.gz OQRZNPTZGQHJDJ-FGZHOGPDSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182345751 911518456 /nfs/dbraw/zinc/51/84/56/911518456.db2.gz OQRZNPTZGQHJDJ-FGZHOGPDSA-N 2 1 383.580 3.730 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182855167 912080547 /nfs/dbraw/zinc/08/05/47/912080547.db2.gz NCNKHAWOSAHOJM-JTHBVZDNSA-N 2 1 381.568 3.538 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182855167 912080563 /nfs/dbraw/zinc/08/05/63/912080563.db2.gz NCNKHAWOSAHOJM-JTHBVZDNSA-N 2 1 381.568 3.538 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182855167 912080580 /nfs/dbraw/zinc/08/05/80/912080580.db2.gz NCNKHAWOSAHOJM-JTHBVZDNSA-N 2 1 381.568 3.538 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000291103325 914977600 /nfs/dbraw/zinc/97/76/00/914977600.db2.gz JOJVEJWKARACRE-AVRDEDQJSA-N 2 1 380.536 3.923 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000291103325 914977608 /nfs/dbraw/zinc/97/76/08/914977608.db2.gz JOJVEJWKARACRE-AVRDEDQJSA-N 2 1 380.536 3.923 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000291107461 914981927 /nfs/dbraw/zinc/98/19/27/914981927.db2.gz KCPXOPRBKHTJJP-LJQANCHMSA-N 2 1 383.502 3.557 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647248649 915105957 /nfs/dbraw/zinc/10/59/57/915105957.db2.gz OULVFFHDKRHEPZ-IRLDBZIGSA-N 2 1 376.504 3.520 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344374 915166786 /nfs/dbraw/zinc/16/67/86/915166786.db2.gz PFNCKRLDXYGPHT-WQDFSMHNSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344374 915166792 /nfs/dbraw/zinc/16/67/92/915166792.db2.gz PFNCKRLDXYGPHT-WQDFSMHNSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344374 915166797 /nfs/dbraw/zinc/16/67/97/915166797.db2.gz PFNCKRLDXYGPHT-WQDFSMHNSA-N 2 1 377.576 3.832 20 0 GHADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000647344355 915166851 /nfs/dbraw/zinc/16/68/51/915166851.db2.gz OTWRVXLNOXQPPX-QIJUGHKUSA-N 2 1 398.547 3.716 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384480 915364548 /nfs/dbraw/zinc/36/45/48/915364548.db2.gz OMMDPDMZBHIOKW-BJKOFHAPSA-N 2 1 375.560 3.609 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]21 ZINC000647907953 915433876 /nfs/dbraw/zinc/43/38/76/915433876.db2.gz XDFZFPGAJWKGEK-LPOZWGFCSA-N 2 1 397.950 3.605 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]21 ZINC000647907953 915433887 /nfs/dbraw/zinc/43/38/87/915433887.db2.gz XDFZFPGAJWKGEK-LPOZWGFCSA-N 2 1 397.950 3.605 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000647907672 915434161 /nfs/dbraw/zinc/43/41/61/915434161.db2.gz BBNPILGMRFDHIM-GJPOJAMWSA-N 2 1 393.531 3.824 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000647907672 915434171 /nfs/dbraw/zinc/43/41/71/915434171.db2.gz BBNPILGMRFDHIM-GJPOJAMWSA-N 2 1 393.531 3.824 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963904 915453293 /nfs/dbraw/zinc/45/32/93/915453293.db2.gz HHQPIOOVBUYLBS-HKBOAZHASA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963904 915453305 /nfs/dbraw/zinc/45/33/05/915453305.db2.gz HHQPIOOVBUYLBS-HKBOAZHASA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963904 915453312 /nfs/dbraw/zinc/45/33/12/915453312.db2.gz HHQPIOOVBUYLBS-HKBOAZHASA-N 2 1 377.617 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000647977073 915460250 /nfs/dbraw/zinc/46/02/50/915460250.db2.gz XREBUSXSCLOXRU-QTEQDKRBSA-N 2 1 397.588 3.665 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1F ZINC000292009358 915472071 /nfs/dbraw/zinc/47/20/71/915472071.db2.gz BKYXAINPLMDLQX-HNNXBMFYSA-N 2 1 380.467 3.872 20 0 GHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000292362930 915636505 /nfs/dbraw/zinc/63/65/05/915636505.db2.gz YVNABOYLJWHDPE-RXVVDRJESA-N 2 1 376.516 3.528 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCC2 ZINC000543777533 915789699 /nfs/dbraw/zinc/78/96/99/915789699.db2.gz XRIAQKUPYBSKRI-URXFXBBRSA-N 2 1 380.532 3.819 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000648760536 915868893 /nfs/dbraw/zinc/86/88/93/915868893.db2.gz BIXNESBDSXVBHX-FQEVSTJZSA-N 2 1 382.552 3.564 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000648760536 915868898 /nfs/dbraw/zinc/86/88/98/915868898.db2.gz BIXNESBDSXVBHX-FQEVSTJZSA-N 2 1 382.552 3.564 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000648859851 915912724 /nfs/dbraw/zinc/91/27/24/915912724.db2.gz KJIMWFVHAQPBJV-FVTFTPSCSA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000648859851 915912736 /nfs/dbraw/zinc/91/27/36/915912736.db2.gz KJIMWFVHAQPBJV-FVTFTPSCSA-N 2 1 394.563 3.814 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000294396745 916785782 /nfs/dbraw/zinc/78/57/82/916785782.db2.gz VQNQOSITMQPXHX-QGZVFWFLSA-N 2 1 379.504 3.682 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C[N@H+]1Cc1ccccc1 ZINC000775312824 916918822 /nfs/dbraw/zinc/91/88/22/916918822.db2.gz AONLYXUEVJZODD-DENIHFKCSA-N 2 1 391.559 3.986 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000650417991 916971637 /nfs/dbraw/zinc/97/16/37/916971637.db2.gz LTZQVFJBVGYTSD-OALUTQOASA-N 2 1 388.581 3.623 20 0 GHADMP Brc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000362276628 917182779 /nfs/dbraw/zinc/18/27/79/917182779.db2.gz HTVLYERFUOQTRE-MOPGFXCFSA-N 2 1 392.385 3.630 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cc2)C[C@H](C)O1 ZINC000775365219 917192127 /nfs/dbraw/zinc/19/21/27/917192127.db2.gz PMOMOIDQXHSZKB-HZDRLRHHSA-N 2 1 392.634 3.765 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722634 917248929 /nfs/dbraw/zinc/24/89/29/917248929.db2.gz YLMNRYZMSMESHV-JQHSSLGASA-N 2 1 382.932 3.608 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796444324 917338908 /nfs/dbraw/zinc/33/89/08/917338908.db2.gz MJJYMVIFPIXDRU-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796444324 917338920 /nfs/dbraw/zinc/33/89/20/917338920.db2.gz MJJYMVIFPIXDRU-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796444324 917338936 /nfs/dbraw/zinc/33/89/36/917338936.db2.gz MJJYMVIFPIXDRU-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796444324 917338941 /nfs/dbraw/zinc/33/89/41/917338941.db2.gz MJJYMVIFPIXDRU-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1)[C@H]1CC[C@H](O)CC1 ZINC000295871491 917564280 /nfs/dbraw/zinc/56/42/80/917564280.db2.gz CPSISHVIFPKHEE-CHDDOINTSA-N 2 1 394.987 3.811 20 0 GHADMP CC1(C)C[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880413 917571967 /nfs/dbraw/zinc/57/19/67/917571967.db2.gz ZRMXHVDAJNTXHZ-WOJBJXKFSA-N 2 1 394.987 3.526 20 0 GHADMP CC1(C)C[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@@H](O)C(C)(C)C3)c2)CC[C@H]1O ZINC000295880413 917571980 /nfs/dbraw/zinc/57/19/80/917571980.db2.gz ZRMXHVDAJNTXHZ-WOJBJXKFSA-N 2 1 394.987 3.526 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000652361530 917883445 /nfs/dbraw/zinc/88/34/45/917883445.db2.gz JTNQOLKKTORTHR-AKIFATBCSA-N 2 1 393.531 3.800 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000796745820 917895360 /nfs/dbraw/zinc/89/53/60/917895360.db2.gz CUDQQDRQILHPGE-UHFFFAOYSA-N 2 1 375.557 3.934 20 0 GHADMP Cc1ccccc1C1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000363320601 918079104 /nfs/dbraw/zinc/07/91/04/918079104.db2.gz FMCKGFZCLXUNDI-UHFFFAOYSA-N 2 1 397.607 3.681 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CC(C)C)CC1 ZINC001191901466 918291915 /nfs/dbraw/zinc/29/19/15/918291915.db2.gz ZWFSNZREPSWNFV-QHCPKHFHSA-N 2 1 385.596 3.976 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)c2)CC1 ZINC000296812064 918792783 /nfs/dbraw/zinc/79/27/83/918792783.db2.gz ITNDLYPMXWLUNZ-QHCPKHFHSA-N 2 1 384.568 3.521 20 0 GHADMP CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(Br)c1O ZINC000297341130 919255903 /nfs/dbraw/zinc/25/59/03/919255903.db2.gz DNWICPCRXKTTPQ-GOOCMWNKSA-N 2 1 383.330 3.658 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000297564125 919442984 /nfs/dbraw/zinc/44/29/84/919442984.db2.gz QDLQHTADBRSFIO-NQIIRXRSSA-N 2 1 391.519 3.529 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nnc(C4CC4)n2C2CC2)CC3)cc1 ZINC000364629212 919764808 /nfs/dbraw/zinc/76/48/08/919764808.db2.gz BALVNBGZFXVJIU-UHFFFAOYSA-N 2 1 391.563 3.979 20 0 GHADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nnc(C4CC4)n2C2CC2)CC3)cc1 ZINC000364629212 919764818 /nfs/dbraw/zinc/76/48/18/919764818.db2.gz BALVNBGZFXVJIU-UHFFFAOYSA-N 2 1 391.563 3.979 20 0 GHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000298596361 920707616 /nfs/dbraw/zinc/70/76/16/920707616.db2.gz YUWYZUINGABZMD-UHFFFAOYSA-N 2 1 396.560 3.704 20 0 GHADMP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000367539386 922181337 /nfs/dbraw/zinc/18/13/37/922181337.db2.gz ZEHTXVAYJNRNQH-HHHXNRCGSA-N 2 1 388.552 3.501 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000367597449 922221699 /nfs/dbraw/zinc/22/16/99/922221699.db2.gz RUIOCPPCWYXDPR-DBOLQNLKSA-N 2 1 396.535 3.667 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)CC1 ZINC000367680917 922265826 /nfs/dbraw/zinc/26/58/26/922265826.db2.gz AQBYFBGWGGMVRT-OAHLLOKOSA-N 2 1 380.558 3.654 20 0 GHADMP COc1ccc(NC(=[NH2+])NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000368532508 922733343 /nfs/dbraw/zinc/73/33/43/922733343.db2.gz ZDLXOCKWAKRSQQ-JOCHJYFZSA-N 2 1 382.508 3.552 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000903098304 922770699 /nfs/dbraw/zinc/77/06/99/922770699.db2.gz ZSUHSWZQCOVPLO-SHFXZJCHSA-N 2 1 387.543 3.595 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000903098304 922770701 /nfs/dbraw/zinc/77/07/01/922770701.db2.gz ZSUHSWZQCOVPLO-SHFXZJCHSA-N 2 1 387.543 3.595 20 0 GHADMP O[C@H]1C[C@](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)(c2ccccc2)C1 ZINC000903271545 922897412 /nfs/dbraw/zinc/89/74/12/922897412.db2.gz MWIIENCAVOTWFD-KLCXDVKMSA-N 2 1 376.544 3.864 20 0 GHADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000903735382 923238552 /nfs/dbraw/zinc/23/85/52/923238552.db2.gz ZHTGSTDSAMLINA-GBESFXJTSA-N 2 1 378.582 3.575 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000677128926 924250548 /nfs/dbraw/zinc/25/05/48/924250548.db2.gz BYORXNKYYVYWEC-YADHBBJMSA-N 2 1 399.604 3.656 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000677128979 924252321 /nfs/dbraw/zinc/25/23/21/924252321.db2.gz HWFIAOYOZHPNKU-KNQAVFIVSA-N 2 1 391.559 3.969 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000543807414 924268716 /nfs/dbraw/zinc/26/87/16/924268716.db2.gz LNSKRBSWVFOGFR-JXALWOEJSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC[NH2+]CC1 ZINC000370762893 924289185 /nfs/dbraw/zinc/28/91/85/924289185.db2.gz CNHVDGHUPKXTQT-GBXCKJPGSA-N 2 1 383.580 3.527 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370770017 924290278 /nfs/dbraw/zinc/29/02/78/924290278.db2.gz BNXFODGMAKJNRN-FXAWDEMLSA-N 2 1 397.485 3.594 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772629 924291263 /nfs/dbraw/zinc/29/12/63/924291263.db2.gz LOQJGOYZGQTIDN-PSBWJHGTSA-N 2 1 397.485 3.722 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000371161159 924454546 /nfs/dbraw/zinc/45/45/46/924454546.db2.gz TYHJSXWQMWQQAA-UHFFFAOYSA-N 2 1 396.579 3.970 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CN(Cc4ccccc4)C(C)(C)C3)CC2)nc(C)[nH+]1 ZINC000677748863 924477608 /nfs/dbraw/zinc/47/76/08/924477608.db2.gz AKKWVBLGPXZYDD-QFIPXVFZSA-N 2 1 393.579 3.705 20 0 GHADMP CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000677767531 924488409 /nfs/dbraw/zinc/48/84/09/924488409.db2.gz YDXSALMQTOTZCZ-CVDCTZTESA-N 2 1 385.596 3.616 20 0 GHADMP CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000677767531 924488413 /nfs/dbraw/zinc/48/84/13/924488413.db2.gz YDXSALMQTOTZCZ-CVDCTZTESA-N 2 1 385.596 3.616 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000678259978 924693017 /nfs/dbraw/zinc/69/30/17/924693017.db2.gz OKYPHCZFRWZWLG-SIKLNZKXSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000678259978 924693021 /nfs/dbraw/zinc/69/30/21/924693021.db2.gz OKYPHCZFRWZWLG-SIKLNZKXSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1Cc1ccccc1 ZINC000678259978 924693023 /nfs/dbraw/zinc/69/30/23/924693023.db2.gz OKYPHCZFRWZWLG-SIKLNZKXSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1Cc1ccccc1 ZINC000678259978 924693027 /nfs/dbraw/zinc/69/30/27/924693027.db2.gz OKYPHCZFRWZWLG-SIKLNZKXSA-N 2 1 375.520 3.752 20 0 GHADMP C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000678261114 924694513 /nfs/dbraw/zinc/69/45/13/924694513.db2.gz VKRDDESBOXUNQI-NRFANRHFSA-N 2 1 377.532 3.533 20 0 GHADMP C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000678261114 924694518 /nfs/dbraw/zinc/69/45/18/924694518.db2.gz VKRDDESBOXUNQI-NRFANRHFSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000678261114 924694521 /nfs/dbraw/zinc/69/45/21/924694521.db2.gz VKRDDESBOXUNQI-NRFANRHFSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000678261114 924694529 /nfs/dbraw/zinc/69/45/29/924694529.db2.gz VKRDDESBOXUNQI-NRFANRHFSA-N 2 1 377.532 3.533 20 0 GHADMP CCOc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCCOc1ccc(C)cc1 ZINC000678342621 924734552 /nfs/dbraw/zinc/73/45/52/924734552.db2.gz AOLHKYRAGWIBIG-NHCUHLMSSA-N 2 1 396.531 3.503 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1)CC(C)C ZINC000678659969 924875440 /nfs/dbraw/zinc/87/54/40/924875440.db2.gz QCJNWUVJRLIJEG-UHFFFAOYSA-N 2 1 398.555 3.879 20 0 GHADMP CCC[NH+]1CCC(Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)CC1 ZINC000679085973 925024216 /nfs/dbraw/zinc/02/42/16/925024216.db2.gz CSVONYPAWXMBPQ-QGZVFWFLSA-N 2 1 390.547 3.925 20 0 GHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000679818966 925274075 /nfs/dbraw/zinc/27/40/75/925274075.db2.gz CGRLBROEKDIVEB-INIZCTEOSA-N 2 1 396.373 3.668 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679994055 925326282 /nfs/dbraw/zinc/32/62/82/925326282.db2.gz FRMLEOZOZGJBKJ-YSCXQKKWSA-N 2 1 381.923 3.602 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679994055 925326292 /nfs/dbraw/zinc/32/62/92/925326292.db2.gz FRMLEOZOZGJBKJ-YSCXQKKWSA-N 2 1 381.923 3.602 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1ccccc1 ZINC000680040464 925338823 /nfs/dbraw/zinc/33/88/23/925338823.db2.gz ZOOBUJFHEVHMSE-UZVYXBEXSA-N 2 1 377.532 3.904 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1ccccc1 ZINC000680040464 925338831 /nfs/dbraw/zinc/33/88/31/925338831.db2.gz ZOOBUJFHEVHMSE-UZVYXBEXSA-N 2 1 377.532 3.904 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000410354983 925560500 /nfs/dbraw/zinc/56/05/00/925560500.db2.gz RXRMYSQSJANGIE-OFNKIYASSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000410370354 925581928 /nfs/dbraw/zinc/58/19/28/925581928.db2.gz HEMBMCOSEAYQDL-WOJBJXKFSA-N 2 1 388.600 3.694 20 0 GHADMP CC1CC[NH+](CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000410369699 925588592 /nfs/dbraw/zinc/58/85/92/925588592.db2.gz RUUIIOILXRBMLS-FQEVSTJZSA-N 2 1 386.584 3.592 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1c(F)cccc1F ZINC000372685773 925633079 /nfs/dbraw/zinc/63/30/79/925633079.db2.gz SFGXUHBZBZOFED-UHFFFAOYSA-N 2 1 394.510 3.625 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@H](Cc2ccncc2)C1)[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890626 925646028 /nfs/dbraw/zinc/64/60/28/925646028.db2.gz JSKFQTMHDALBPC-HUVFLSCGSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H](Cc2ccncc2)C1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890626 925646038 /nfs/dbraw/zinc/64/60/38/925646038.db2.gz JSKFQTMHDALBPC-HUVFLSCGSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H](Cc2ccncc2)C1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890626 925646039 /nfs/dbraw/zinc/64/60/39/925646039.db2.gz JSKFQTMHDALBPC-HUVFLSCGSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398181509 926486960 /nfs/dbraw/zinc/48/69/60/926486960.db2.gz KCEOFWRZZFDJGI-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398181509 926486963 /nfs/dbraw/zinc/48/69/63/926486963.db2.gz KCEOFWRZZFDJGI-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411553705 926507654 /nfs/dbraw/zinc/50/76/54/926507654.db2.gz RPSGCOOPCTXPGA-ZJSXRUAMSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411553705 926507659 /nfs/dbraw/zinc/50/76/59/926507659.db2.gz RPSGCOOPCTXPGA-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411553705 926507664 /nfs/dbraw/zinc/50/76/64/926507664.db2.gz RPSGCOOPCTXPGA-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411553705 926507672 /nfs/dbraw/zinc/50/76/72/926507672.db2.gz RPSGCOOPCTXPGA-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP NC(=O)c1cccc(C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C2CC2)c1 ZINC000411772335 926755202 /nfs/dbraw/zinc/75/52/02/926755202.db2.gz ISNFGSIEWIIMPY-UHFFFAOYSA-N 2 1 377.532 3.936 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2cc1C(C)C ZINC000749546893 927182516 /nfs/dbraw/zinc/18/25/16/927182516.db2.gz SPSRAVNXBCRBIR-RZFNWQHOSA-N 2 1 398.547 3.908 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)c2cc1C(C)C ZINC000749546893 927182536 /nfs/dbraw/zinc/18/25/36/927182536.db2.gz SPSRAVNXBCRBIR-RZFNWQHOSA-N 2 1 398.547 3.908 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1ccccc1 ZINC000412223101 927225018 /nfs/dbraw/zinc/22/50/18/927225018.db2.gz TUOWWZYUFYYLOI-GOTSBHOMSA-N 2 1 377.532 3.848 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750238413 927509160 /nfs/dbraw/zinc/50/91/60/927509160.db2.gz HEOOYIMGOZPHHI-QFIPXVFZSA-N 2 1 383.511 3.510 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750238413 927509166 /nfs/dbraw/zinc/50/91/66/927509166.db2.gz HEOOYIMGOZPHHI-QFIPXVFZSA-N 2 1 383.511 3.510 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000374905080 927680272 /nfs/dbraw/zinc/68/02/72/927680272.db2.gz VKGVKARAHDYAIX-FQEVSTJZSA-N 2 1 386.584 3.731 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000750670975 927788892 /nfs/dbraw/zinc/78/88/92/927788892.db2.gz ZOEBVAWXPCFZDN-KDURUIRLSA-N 2 1 382.552 3.766 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000750670975 927788899 /nfs/dbraw/zinc/78/88/99/927788899.db2.gz ZOEBVAWXPCFZDN-KDURUIRLSA-N 2 1 382.552 3.766 20 0 GHADMP CC(C)c1ccoc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375039880 927837889 /nfs/dbraw/zinc/83/78/89/927837889.db2.gz SUCZRVDSOGIBJS-UHFFFAOYSA-N 2 1 375.557 3.671 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C\C1CCCCC1 ZINC000751049191 928002551 /nfs/dbraw/zinc/00/25/51/928002551.db2.gz RRJPVCSGYXBVOO-HJWRWDBZSA-N 2 1 375.601 3.778 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751082427 928020327 /nfs/dbraw/zinc/02/03/27/928020327.db2.gz QRUXIWYPEGMHTQ-JYUKWDKTSA-N 2 1 398.595 3.918 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857700 929055020 /nfs/dbraw/zinc/05/50/20/929055020.db2.gz UCPXGNAEVVOKPF-WOJBJXKFSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857700 929055032 /nfs/dbraw/zinc/05/50/32/929055032.db2.gz UCPXGNAEVVOKPF-WOJBJXKFSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857700 929055036 /nfs/dbraw/zinc/05/50/36/929055036.db2.gz UCPXGNAEVVOKPF-WOJBJXKFSA-N 2 1 386.584 3.668 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000544348964 929079546 /nfs/dbraw/zinc/07/95/46/929079546.db2.gz VBFDPQZURWPGPS-HSZRJFAPSA-N 2 1 376.504 3.838 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544349932 929080764 /nfs/dbraw/zinc/08/07/64/929080764.db2.gz SLJAGMUURPKFOH-OAQYLSRUSA-N 2 1 375.520 3.530 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000469337691 929798541 /nfs/dbraw/zinc/79/85/41/929798541.db2.gz ZTKGPPVEIWPKLC-UHFFFAOYSA-N 2 1 385.596 3.619 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1)C(C)C ZINC000469485206 929931839 /nfs/dbraw/zinc/93/18/39/929931839.db2.gz DEWARBKFZLAAQC-UHFFFAOYSA-N 2 1 381.564 3.951 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000469714420 930105471 /nfs/dbraw/zinc/10/54/71/930105471.db2.gz ZGPIXDPZECRTHW-ROUUACIJSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000469714420 930105472 /nfs/dbraw/zinc/10/54/72/930105472.db2.gz ZGPIXDPZECRTHW-ROUUACIJSA-N 2 1 385.474 3.641 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000469874163 930227040 /nfs/dbraw/zinc/22/70/40/930227040.db2.gz VGNRVHAIRLYYQG-JPYJTQIMSA-N 2 1 395.522 3.573 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780880003 930625274 /nfs/dbraw/zinc/62/52/74/930625274.db2.gz WWLCNURRSWKZFB-KNQAVFIVSA-N 2 1 377.532 3.814 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511946 931084805 /nfs/dbraw/zinc/08/48/05/931084805.db2.gz KXAWIPFNDJDMBW-FTBPSBKWSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511946 931084806 /nfs/dbraw/zinc/08/48/06/931084806.db2.gz KXAWIPFNDJDMBW-FTBPSBKWSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511948 931085056 /nfs/dbraw/zinc/08/50/56/931085056.db2.gz KXAWIPFNDJDMBW-GVXSCFBNSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511948 931085062 /nfs/dbraw/zinc/08/50/62/931085062.db2.gz KXAWIPFNDJDMBW-GVXSCFBNSA-N 2 1 393.575 3.560 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)[nH+]c1C ZINC000924319069 931322095 /nfs/dbraw/zinc/32/20/95/931322095.db2.gz BSPACOXKBKGCTD-NRFANRHFSA-N 2 1 380.536 3.612 20 0 GHADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000558165713 931867857 /nfs/dbraw/zinc/86/78/57/931867857.db2.gz NTAAOXILWZBTLC-OAHLLOKOSA-N 2 1 377.916 3.925 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926112224 932051975 /nfs/dbraw/zinc/05/19/75/932051975.db2.gz PQJPCRTTYLDMBQ-NNMXDRDESA-N 2 1 375.520 3.829 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)no1 ZINC000926124671 932057105 /nfs/dbraw/zinc/05/71/05/932057105.db2.gz IRJAVMXVBUSJES-DYESRHJHSA-N 2 1 377.488 3.759 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)no1 ZINC000926124671 932057109 /nfs/dbraw/zinc/05/71/09/932057109.db2.gz IRJAVMXVBUSJES-DYESRHJHSA-N 2 1 377.488 3.759 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccnc2)cc1 ZINC000926128219 932058477 /nfs/dbraw/zinc/05/84/77/932058477.db2.gz ZUHONVWPFQWMDW-JWQCQUIFSA-N 2 1 387.527 3.836 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000796779879 932064921 /nfs/dbraw/zinc/06/49/21/932064921.db2.gz OPKUEMAJEVDGMS-IBGZPJMESA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)no1 ZINC000926687774 932272718 /nfs/dbraw/zinc/27/27/18/932272718.db2.gz AQCOZTFHVTUFDG-LAUBAEHRSA-N 2 1 377.488 3.759 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccn2)cc1 ZINC000926690197 932273526 /nfs/dbraw/zinc/27/35/26/932273526.db2.gz OCPVMTDMEWRZEZ-ZCYQVOJMSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccn2)cc1 ZINC000926690197 932273533 /nfs/dbraw/zinc/27/35/33/932273533.db2.gz OCPVMTDMEWRZEZ-ZCYQVOJMSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1nc(-c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2)cs1 ZINC000559734718 932825214 /nfs/dbraw/zinc/82/52/14/932825214.db2.gz FSFYNOXIMMVMED-UHFFFAOYSA-N 2 1 393.516 3.518 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000559735993 932826713 /nfs/dbraw/zinc/82/67/13/932826713.db2.gz HBKHFNNUKZXRCK-PKTZIBPZSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000559735993 932826724 /nfs/dbraw/zinc/82/67/24/932826724.db2.gz HBKHFNNUKZXRCK-PKTZIBPZSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000559735994 932826779 /nfs/dbraw/zinc/82/67/79/932826779.db2.gz HBKHFNNUKZXRCK-XZOQPEGZSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000559735994 932826786 /nfs/dbraw/zinc/82/67/86/932826786.db2.gz HBKHFNNUKZXRCK-XZOQPEGZSA-N 2 1 377.532 3.734 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000799178433 932900940 /nfs/dbraw/zinc/90/09/40/932900940.db2.gz SHWHBPFSCMXCLX-HNNXBMFYSA-N 2 1 398.378 3.978 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799738482 933105066 /nfs/dbraw/zinc/10/50/66/933105066.db2.gz BFLSDKAZYGAERJ-SFHVURJKSA-N 2 1 399.539 3.703 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000561141070 933910655 /nfs/dbraw/zinc/91/06/55/933910655.db2.gz YOTRNQLIYYCIGR-HSZRJFAPSA-N 2 1 385.596 3.739 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000561711340 934386175 /nfs/dbraw/zinc/38/61/75/934386175.db2.gz XQLVHJJNBYXTCQ-HXUWFJFHSA-N 2 1 394.563 3.602 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285673 934481623 /nfs/dbraw/zinc/48/16/23/934481623.db2.gz OCPONIKNCIUQRB-UHFFFAOYSA-N 2 1 384.568 3.702 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285673 934481629 /nfs/dbraw/zinc/48/16/29/934481629.db2.gz OCPONIKNCIUQRB-UHFFFAOYSA-N 2 1 384.568 3.702 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000561884903 934536983 /nfs/dbraw/zinc/53/69/83/934536983.db2.gz FGMQLOCKYSQJTM-FKKSXTGDSA-N 2 1 386.967 3.990 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000562012116 934631097 /nfs/dbraw/zinc/63/10/97/934631097.db2.gz ARWOMJPVNCXZPW-DXIQSLLYSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000562012116 934631102 /nfs/dbraw/zinc/63/11/02/934631102.db2.gz ARWOMJPVNCXZPW-DXIQSLLYSA-N 2 1 375.520 3.971 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2)c1ccccc1 ZINC001122319378 934854298 /nfs/dbraw/zinc/85/42/98/934854298.db2.gz HIPZFAPNACRFFU-IRLDBZIGSA-N 2 1 393.531 3.523 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001137604526 935618635 /nfs/dbraw/zinc/61/86/35/935618635.db2.gz NEDUSUDVKCGQSP-WWPVKYPJSA-N 2 1 385.596 3.723 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(-c5cncnc5)c4)C[C@H]3C2)c1 ZINC001137765875 935778726 /nfs/dbraw/zinc/77/87/26/935778726.db2.gz OBPTYDMQPGKFQT-SFTDATJTSA-N 2 1 376.529 3.769 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CCCCCC1 ZINC001220723896 1032084317 /nfs/dbraw/zinc/08/43/17/1032084317.db2.gz SVERTNHQWDAUJJ-FQEVSTJZSA-N 2 1 378.605 3.737 20 0 GHADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001625778654 1014151580 /nfs/dbraw/zinc/15/15/80/1014151580.db2.gz OQCXULUEMCQPNP-INIZCTEOSA-N 2 1 386.367 3.616 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1OC ZINC000532220836 1014561804 /nfs/dbraw/zinc/56/18/04/1014561804.db2.gz NJAAEVNSUIMICZ-NQIIRXRSSA-N 2 1 398.547 3.755 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1OC ZINC000532220836 1014561817 /nfs/dbraw/zinc/56/18/17/1014561817.db2.gz NJAAEVNSUIMICZ-NQIIRXRSSA-N 2 1 398.547 3.755 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468020495 1015153409 /nfs/dbraw/zinc/15/34/09/1015153409.db2.gz FVEKADAEHVHKMR-DWLFOUALSA-N 2 1 386.584 3.630 20 0 GHADMP Cc1cc(Br)cc2cc([C@@H]([NH2+]C[C@]3(O)CC[N@H+](C)C3)C(C)C)oc21 ZINC000545159684 1015596074 /nfs/dbraw/zinc/59/60/74/1015596074.db2.gz YAGTWLQFJCSAPV-PKOBYXMFSA-N 2 1 395.341 3.857 20 0 GHADMP Cc1cc(Br)cc2cc([C@@H]([NH2+]C[C@]3(O)CC[N@@H+](C)C3)C(C)C)oc21 ZINC000545159684 1015596083 /nfs/dbraw/zinc/59/60/83/1015596083.db2.gz YAGTWLQFJCSAPV-PKOBYXMFSA-N 2 1 395.341 3.857 20 0 GHADMP Cc1cccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000468430370 1015700240 /nfs/dbraw/zinc/70/02/40/1015700240.db2.gz TWNZTIOJZUMHRE-RDPSFJRHSA-N 2 1 393.575 3.803 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000468430200 1015700256 /nfs/dbraw/zinc/70/02/56/1015700256.db2.gz PPEJMVUIEOKWMK-BGYRXZFFSA-N 2 1 388.600 3.648 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)[C@@H](C)C1 ZINC000468436528 1015705918 /nfs/dbraw/zinc/70/59/18/1015705918.db2.gz QGULAZIHQKKUGR-LPHOPBHVSA-N 2 1 383.374 3.718 20 0 GHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000469076912 1016425682 /nfs/dbraw/zinc/42/56/82/1016425682.db2.gz QKRJQPLITVDOOW-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccns1 ZINC000925139213 1017041998 /nfs/dbraw/zinc/04/19/98/1017041998.db2.gz KHUKUKDUTGVQQI-CYBMUJFWSA-N 2 1 384.471 3.765 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(C)(C)C[NH+](C)C ZINC001220880443 1032170866 /nfs/dbraw/zinc/17/08/66/1032170866.db2.gz QZUSMXWAIWGMCA-RBUKOAKNSA-N 2 1 388.600 3.694 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([C@H]2CCC[NH2+]2)n1 ZINC001221012823 1032236030 /nfs/dbraw/zinc/23/60/30/1032236030.db2.gz CEKVIUWQOZPREK-MJGOQNOKSA-N 2 1 398.576 3.598 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001221101707 1032288589 /nfs/dbraw/zinc/28/85/89/1032288589.db2.gz WVYZSGUACXYILW-LJQANCHMSA-N 2 1 394.991 3.897 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001221101706 1032289083 /nfs/dbraw/zinc/28/90/83/1032289083.db2.gz WVYZSGUACXYILW-IBGZPJMESA-N 2 1 394.991 3.897 20 0 GHADMP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)c1c[nH+]ccc1N1CCCC1 ZINC001221211057 1032333459 /nfs/dbraw/zinc/33/34/59/1032333459.db2.gz YXWIDMBWIXOTQS-OAQYLSRUSA-N 2 1 396.510 3.682 20 0 GHADMP C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001221241080 1032345204 /nfs/dbraw/zinc/34/52/04/1032345204.db2.gz NHUWEZSHGIRTEG-BFMBIBTESA-N 2 1 393.575 3.850 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC001221435455 1032414415 /nfs/dbraw/zinc/41/44/15/1032414415.db2.gz QVRNWOZPPKFSDH-URVUXULASA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001221435455 1032414420 /nfs/dbraw/zinc/41/44/20/1032414420.db2.gz QVRNWOZPPKFSDH-URVUXULASA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001221435455 1032414424 /nfs/dbraw/zinc/41/44/24/1032414424.db2.gz QVRNWOZPPKFSDH-URVUXULASA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001227447811 1032423912 /nfs/dbraw/zinc/42/39/12/1032423912.db2.gz VJZFFNZAUQOLBP-CTNGQTDRSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001221463377 1032425163 /nfs/dbraw/zinc/42/51/63/1032425163.db2.gz ATPPTGVIQZMCNZ-VAMGGRTRSA-N 2 1 388.600 3.563 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC001227458448 1032427195 /nfs/dbraw/zinc/42/71/95/1032427195.db2.gz YVLMOJFFAMIWSQ-UYAOXDASSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001227458448 1032427199 /nfs/dbraw/zinc/42/71/99/1032427199.db2.gz YVLMOJFFAMIWSQ-UYAOXDASSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001227458448 1032427206 /nfs/dbraw/zinc/42/72/06/1032427206.db2.gz YVLMOJFFAMIWSQ-UYAOXDASSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H]1[NH2+]CC[C@H]1Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001155188793 1032449667 /nfs/dbraw/zinc/44/96/67/1032449667.db2.gz ZXHPFLQSBFDNAL-GDBMZVCRSA-N 2 1 385.581 3.718 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccco1 ZINC001221547754 1032457851 /nfs/dbraw/zinc/45/78/51/1032457851.db2.gz SITAUIJLMUDLAJ-VQTJNVASSA-N 2 1 390.572 3.759 20 0 GHADMP CCCCc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncn1 ZINC001155363267 1032519961 /nfs/dbraw/zinc/51/99/61/1032519961.db2.gz WDABMPZGOWRNBF-OAQYLSRUSA-N 2 1 393.579 3.733 20 0 GHADMP c1cc2nc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc2o1 ZINC001155364525 1032520887 /nfs/dbraw/zinc/52/08/87/1032520887.db2.gz SNHXNNYFFPJPNV-LJQANCHMSA-N 2 1 376.504 3.742 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1)CC1CC1 ZINC001221911479 1032570470 /nfs/dbraw/zinc/57/04/70/1032570470.db2.gz NMHGGBWZSRJIAR-OAQYLSRUSA-N 2 1 394.648 3.896 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C)cc4)CC3)C2)c1 ZINC001204171365 1032621789 /nfs/dbraw/zinc/62/17/89/1032621789.db2.gz KBWGHWVZWNKPPH-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C)cc4)CC3)C2)c1 ZINC001204171365 1032621808 /nfs/dbraw/zinc/62/18/08/1032621808.db2.gz KBWGHWVZWNKPPH-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP C[C@H](Nc1cccc(OCCC[NH+](C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777686584 1017518214 /nfs/dbraw/zinc/51/82/14/1017518214.db2.gz ARHFQMVSIMHNEG-RDPSFJRHSA-N 2 1 397.563 3.719 20 0 GHADMP C[C@H](Nc1cccc(OCCC[NH+](C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777686584 1017518221 /nfs/dbraw/zinc/51/82/21/1017518221.db2.gz ARHFQMVSIMHNEG-RDPSFJRHSA-N 2 1 397.563 3.719 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)cc1 ZINC000560060478 1017537403 /nfs/dbraw/zinc/53/74/03/1017537403.db2.gz NIZYQZBHKBWQFF-UHFFFAOYSA-N 2 1 386.389 3.955 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Cl)c(N(C)C)c3)CC2)CC1 ZINC000928715761 1017557275 /nfs/dbraw/zinc/55/72/75/1017557275.db2.gz OTALSDBYMPEFQK-UHFFFAOYSA-N 2 1 392.975 3.541 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187384190 1017583814 /nfs/dbraw/zinc/58/38/14/1017583814.db2.gz CUXNGHUFYTYLFZ-FQEVSTJZSA-N 2 1 386.939 3.583 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)c1 ZINC001204271558 1032714451 /nfs/dbraw/zinc/71/44/51/1032714451.db2.gz NOFUSGRTGMIHQS-JOCHJYFZSA-N 2 1 383.536 3.764 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC001204288372 1032728479 /nfs/dbraw/zinc/72/84/79/1032728479.db2.gz SWMYUTGUINGMHM-IPMKNSEASA-N 2 1 397.604 3.501 20 0 GHADMP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OCC(F)F ZINC000561736576 1017933198 /nfs/dbraw/zinc/93/31/98/1017933198.db2.gz LXHXOTUBFSEUHC-UHFFFAOYSA-N 2 1 386.483 3.747 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC(OC3CCCC3)CC2)c2cccs2)CC1 ZINC000562515871 1018256752 /nfs/dbraw/zinc/25/67/52/1018256752.db2.gz PPFVOFBQLFXAGI-MNLRITNHSA-N 2 1 391.625 3.897 20 0 GHADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204309579 1032752421 /nfs/dbraw/zinc/75/24/21/1032752421.db2.gz WRZJFSCKMKZILP-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204309579 1032752434 /nfs/dbraw/zinc/75/24/34/1032752434.db2.gz WRZJFSCKMKZILP-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204309579 1032752444 /nfs/dbraw/zinc/75/24/44/1032752444.db2.gz WRZJFSCKMKZILP-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CC1(C)CC(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC(C)(C)[NH2+]1 ZINC000562869168 1018731895 /nfs/dbraw/zinc/73/18/95/1018731895.db2.gz HJMZDNMTFNOIJD-DEOSSOPVSA-N 2 1 398.595 3.603 20 0 GHADMP FC(F)(F)Cc1noc(-c2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2)n1 ZINC000567285271 1019279642 /nfs/dbraw/zinc/27/96/42/1019279642.db2.gz RHZWBAISOMHZJZ-UHFFFAOYSA-N 2 1 394.441 3.805 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(C(C)(C)C)cc4)C3)O2)CC1 ZINC001204395966 1032821618 /nfs/dbraw/zinc/82/16/18/1032821618.db2.gz GMUOAJBWTRQZNZ-ILBGXUMGSA-N 2 1 399.623 3.745 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc(C(C)(C)C)cc4)C3)O2)CC1 ZINC001204395966 1032821635 /nfs/dbraw/zinc/82/16/35/1032821635.db2.gz GMUOAJBWTRQZNZ-ILBGXUMGSA-N 2 1 399.623 3.745 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(C(C)(C)C)cc4)C3)O2)CC1 ZINC001204395966 1032821647 /nfs/dbraw/zinc/82/16/47/1032821647.db2.gz GMUOAJBWTRQZNZ-ILBGXUMGSA-N 2 1 399.623 3.745 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000568627453 1019430748 /nfs/dbraw/zinc/43/07/48/1019430748.db2.gz AHJGUJKMOBSUQZ-IRLDBZIGSA-N 2 1 393.510 3.579 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccco1 ZINC001228191859 1032833107 /nfs/dbraw/zinc/83/31/07/1032833107.db2.gz SNGVACBUSAUCOF-CEWLAPEOSA-N 2 1 398.551 3.591 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000570411511 1019599260 /nfs/dbraw/zinc/59/92/60/1019599260.db2.gz XZSJENQEFDXIFT-INIZCTEOSA-N 2 1 390.325 3.688 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000577174213 1020142025 /nfs/dbraw/zinc/14/20/25/1020142025.db2.gz RZJYKGKGULIKOW-AZUAARDMSA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000577174213 1020142039 /nfs/dbraw/zinc/14/20/39/1020142039.db2.gz RZJYKGKGULIKOW-AZUAARDMSA-N 2 1 381.524 3.613 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577492268 1020210146 /nfs/dbraw/zinc/21/01/46/1020210146.db2.gz KIBBPKWJBXVTAY-YADHBBJMSA-N 2 1 380.532 3.522 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577492268 1020210160 /nfs/dbraw/zinc/21/01/60/1020210160.db2.gz KIBBPKWJBXVTAY-YADHBBJMSA-N 2 1 380.532 3.522 20 0 GHADMP CCOC(=O)N[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000779440937 1020791620 /nfs/dbraw/zinc/79/16/20/1020791620.db2.gz RXRQHDUDKDAHKP-YSFYHYPLSA-N 2 1 387.568 3.932 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000834502507 1021229465 /nfs/dbraw/zinc/22/94/65/1021229465.db2.gz QKULITDUXOQOJF-UARRHKHWSA-N 2 1 380.532 3.761 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834523500 1021245359 /nfs/dbraw/zinc/24/53/59/1021245359.db2.gz VVPPKWCRTIANOY-MOPGFXCFSA-N 2 1 399.539 3.843 20 0 GHADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000834526293 1021246374 /nfs/dbraw/zinc/24/63/74/1021246374.db2.gz GNKBSKBFSAZVOQ-JMJGKCIBSA-N 2 1 380.532 3.761 20 0 GHADMP CCC(C)(C)[NH+]1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001228526291 1032971993 /nfs/dbraw/zinc/97/19/93/1032971993.db2.gz KKJQZKMMWQIQLW-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1-c1cccnc1)C2 ZINC001140314497 1021380528 /nfs/dbraw/zinc/38/05/28/1021380528.db2.gz AEFDNVUDUXQMPB-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1-c1cccnc1)C2 ZINC001140314497 1021380544 /nfs/dbraw/zinc/38/05/44/1021380544.db2.gz AEFDNVUDUXQMPB-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1-c1cccnc1)C2 ZINC001140314497 1021380562 /nfs/dbraw/zinc/38/05/62/1021380562.db2.gz AEFDNVUDUXQMPB-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1CCC(C2CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)CC1 ZINC001140373407 1021515618 /nfs/dbraw/zinc/51/56/18/1021515618.db2.gz NXEIGBBYDBGIQB-UHFFFAOYSA-N 2 1 391.357 3.651 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523674 1021915396 /nfs/dbraw/zinc/91/53/96/1021915396.db2.gz SYNAGJAUDPMDNU-FFZOFVMBSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523674 1021915402 /nfs/dbraw/zinc/91/54/02/1021915402.db2.gz SYNAGJAUDPMDNU-FFZOFVMBSA-N 2 1 399.560 3.662 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000679086887 1021958687 /nfs/dbraw/zinc/95/86/87/1021958687.db2.gz ONBLSDBURSJJCR-QRQLOZEOSA-N 2 1 388.531 3.677 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000679086887 1021958710 /nfs/dbraw/zinc/95/87/10/1021958710.db2.gz ONBLSDBURSJJCR-QRQLOZEOSA-N 2 1 388.531 3.677 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679338119 1021990152 /nfs/dbraw/zinc/99/01/52/1021990152.db2.gz CFJHSDUDZRBQQQ-ATZDWAIDSA-N 2 1 381.358 3.991 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679338119 1021990157 /nfs/dbraw/zinc/99/01/57/1021990157.db2.gz CFJHSDUDZRBQQQ-ATZDWAIDSA-N 2 1 381.358 3.991 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204685790 1033029709 /nfs/dbraw/zinc/02/97/09/1033029709.db2.gz JWGFOBFMJGMDEB-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204685790 1033029718 /nfs/dbraw/zinc/02/97/18/1033029718.db2.gz JWGFOBFMJGMDEB-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1csc3ccccc13)CCC2 ZINC001140638485 1022128716 /nfs/dbraw/zinc/12/87/16/1022128716.db2.gz RQROWGGWRPQFGI-UHFFFAOYSA-N 2 1 384.549 3.582 20 0 GHADMP Cn1cnc2ccc(C[N@@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001140746322 1022417785 /nfs/dbraw/zinc/41/77/85/1022417785.db2.gz ILHQHKUYTOZRBP-KJXAQDMKSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[N@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001140746322 1022417795 /nfs/dbraw/zinc/41/77/95/1022417795.db2.gz ILHQHKUYTOZRBP-KJXAQDMKSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[NH+]3C[C@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001140746322 1022417803 /nfs/dbraw/zinc/41/78/03/1022417803.db2.gz ILHQHKUYTOZRBP-KJXAQDMKSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[NH+]3C[C@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001140746322 1022417809 /nfs/dbraw/zinc/41/78/09/1022417809.db2.gz ILHQHKUYTOZRBP-KJXAQDMKSA-N 2 1 389.547 3.701 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140773050 1022491676 /nfs/dbraw/zinc/49/16/76/1022491676.db2.gz IPFQXHXJANOOJM-UHFFFAOYSA-N 2 1 384.520 3.753 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4[nH]cc(C)c4C)CC3)C2)c1 ZINC001140860457 1022720964 /nfs/dbraw/zinc/72/09/64/1022720964.db2.gz ONEPWVQEUASXTG-UHFFFAOYSA-N 2 1 383.536 3.507 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4[nH]cc(C)c4C)CC3)C2)c1 ZINC001140860457 1022720978 /nfs/dbraw/zinc/72/09/78/1022720978.db2.gz ONEPWVQEUASXTG-UHFFFAOYSA-N 2 1 383.536 3.507 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037511 1023349435 /nfs/dbraw/zinc/34/94/35/1023349435.db2.gz QVDWWLNRPJTWLG-JOCHJYFZSA-N 2 1 382.504 3.927 20 0 GHADMP COc1ccc2nccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001141148090 1023970864 /nfs/dbraw/zinc/97/08/64/1023970864.db2.gz KGGPBLZSLDXDAO-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1ccc2nccc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001141148090 1023970870 /nfs/dbraw/zinc/97/08/70/1023970870.db2.gz KGGPBLZSLDXDAO-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1ccc2nccc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001141148090 1023970871 /nfs/dbraw/zinc/97/08/71/1023970871.db2.gz KGGPBLZSLDXDAO-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1ccc2nccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001141148090 1023970876 /nfs/dbraw/zinc/97/08/76/1023970876.db2.gz KGGPBLZSLDXDAO-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001138136009 1024200184 /nfs/dbraw/zinc/20/01/84/1024200184.db2.gz NAHDIDPTLPQATK-OYRHEFFESA-N 2 1 395.547 3.680 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001138136009 1024200201 /nfs/dbraw/zinc/20/02/01/1024200201.db2.gz NAHDIDPTLPQATK-OYRHEFFESA-N 2 1 395.547 3.680 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001138136009 1024200219 /nfs/dbraw/zinc/20/02/19/1024200219.db2.gz NAHDIDPTLPQATK-OYRHEFFESA-N 2 1 395.547 3.680 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001138136009 1024200238 /nfs/dbraw/zinc/20/02/38/1024200238.db2.gz NAHDIDPTLPQATK-OYRHEFFESA-N 2 1 395.547 3.680 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C ZINC001205081194 1033239898 /nfs/dbraw/zinc/23/98/98/1033239898.db2.gz BDQCDMNXAGZQJK-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001138484382 1024914630 /nfs/dbraw/zinc/91/46/30/1024914630.db2.gz NBOJLGYHSOZLGL-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP CN(C)c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)s1 ZINC001138491098 1024923924 /nfs/dbraw/zinc/92/39/24/1024923924.db2.gz JRNVUNZKWGVUIF-UHFFFAOYSA-N 2 1 385.577 3.681 20 0 GHADMP COc1ccc2[nH]cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001138505313 1024941047 /nfs/dbraw/zinc/94/10/47/1024941047.db2.gz SKPYHAJXKFUSQT-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1ccc2[nH]cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001138505313 1024941049 /nfs/dbraw/zinc/94/10/49/1024941049.db2.gz SKPYHAJXKFUSQT-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1ccc2[nH]cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001138505313 1024941055 /nfs/dbraw/zinc/94/10/55/1024941055.db2.gz SKPYHAJXKFUSQT-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1ccc2[nH]cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c2c1 ZINC001138505313 1024941057 /nfs/dbraw/zinc/94/10/57/1024941057.db2.gz SKPYHAJXKFUSQT-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001138545359 1024989907 /nfs/dbraw/zinc/98/99/07/1024989907.db2.gz WBVLHAMIHMSDIK-AZUAARDMSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001138545359 1024989910 /nfs/dbraw/zinc/98/99/10/1024989910.db2.gz WBVLHAMIHMSDIK-AZUAARDMSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cc1 ZINC001138549082 1024995773 /nfs/dbraw/zinc/99/57/73/1024995773.db2.gz QMFZNAQBBCSMMK-UXHICEINSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)cc1 ZINC001138549082 1024995778 /nfs/dbraw/zinc/99/57/78/1024995778.db2.gz QMFZNAQBBCSMMK-UXHICEINSA-N 2 1 396.535 3.870 20 0 GHADMP Fc1ccccc1-n1cccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138630932 1025134365 /nfs/dbraw/zinc/13/43/65/1025134365.db2.gz PMNKFIJEDZQKEN-RTWAWAEBSA-N 2 1 390.506 3.965 20 0 GHADMP Fc1ccccc1-n1cccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138630932 1025134370 /nfs/dbraw/zinc/13/43/70/1025134370.db2.gz PMNKFIJEDZQKEN-RTWAWAEBSA-N 2 1 390.506 3.965 20 0 GHADMP Fc1ccccc1-n1cccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138630932 1025134377 /nfs/dbraw/zinc/13/43/77/1025134377.db2.gz PMNKFIJEDZQKEN-RTWAWAEBSA-N 2 1 390.506 3.965 20 0 GHADMP Fc1ccccc1-n1cccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138630932 1025134385 /nfs/dbraw/zinc/13/43/85/1025134385.db2.gz PMNKFIJEDZQKEN-RTWAWAEBSA-N 2 1 390.506 3.965 20 0 GHADMP CCn1nc(C)c(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001138643587 1025151973 /nfs/dbraw/zinc/15/19/73/1025151973.db2.gz RAKFRFUWNSMSMW-UHFFFAOYSA-N 2 1 381.568 3.791 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCCO3)CC2 ZINC001138716290 1025240234 /nfs/dbraw/zinc/24/02/34/1025240234.db2.gz ZXNFWDLGXLPFIB-OAQYLSRUSA-N 2 1 396.531 3.860 20 0 GHADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001138720542 1025245902 /nfs/dbraw/zinc/24/59/02/1025245902.db2.gz PVRDZMHQYZANGP-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138773863 1025346202 /nfs/dbraw/zinc/34/62/02/1025346202.db2.gz QJWPPUIPLZGHDX-QFIPXVFZSA-N 2 1 382.504 3.751 20 0 GHADMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n([C@@H]2CCCCO2)n1 ZINC001138776795 1025349587 /nfs/dbraw/zinc/34/95/87/1025349587.db2.gz NSZGBZKSOZNJMU-NRFANRHFSA-N 2 1 384.524 3.663 20 0 GHADMP OCCOc1ccc(CN2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)cc1 ZINC001138793939 1025368961 /nfs/dbraw/zinc/36/89/61/1025368961.db2.gz AAQSRXQPTSFKBO-UHFFFAOYSA-N 2 1 389.455 3.565 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(OCCO)cc1)CC2 ZINC001138795753 1025371766 /nfs/dbraw/zinc/37/17/66/1025371766.db2.gz HTZXCECYABMXRM-QFIPXVFZSA-N 2 1 384.520 3.527 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257593 1025378542 /nfs/dbraw/zinc/37/85/42/1025378542.db2.gz KEAQMUOYUPUKGZ-MOPGFXCFSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257593 1025378557 /nfs/dbraw/zinc/37/85/57/1025378557.db2.gz KEAQMUOYUPUKGZ-MOPGFXCFSA-N 2 1 376.545 3.551 20 0 GHADMP C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000839011024 1025516577 /nfs/dbraw/zinc/51/65/77/1025516577.db2.gz LKYZYOJPQKYVLJ-SJORKVTESA-N 2 1 377.573 3.629 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c1C ZINC001141564768 1025563301 /nfs/dbraw/zinc/56/33/01/1025563301.db2.gz LLRBUDRHRQTJAU-IRXDYDNUSA-N 2 1 376.589 3.571 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)n1 ZINC001162800733 1025921141 /nfs/dbraw/zinc/92/11/41/1025921141.db2.gz DHGONBBJKWKIRI-LZLYRXPVSA-N 2 1 391.544 3.606 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212543 1026064652 /nfs/dbraw/zinc/06/46/52/1026064652.db2.gz GXZXUZSSKAVDFI-SFGWALBWSA-N 2 1 393.560 3.819 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000839608712 1026110479 /nfs/dbraw/zinc/11/04/79/1026110479.db2.gz WTHULZWYJLBYGM-IBGZPJMESA-N 2 1 397.485 3.563 20 0 GHADMP C[NH+]1CCC(C2CC[NH+](Cc3ccc(I)cc3)CC2)CC1 ZINC001204403506 1026161132 /nfs/dbraw/zinc/16/11/32/1026161132.db2.gz XEAAERPIHVBSMS-UHFFFAOYSA-N 2 1 398.332 3.845 20 0 GHADMP C[NH2+]C1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)C1 ZINC001163705404 1026290011 /nfs/dbraw/zinc/29/00/11/1026290011.db2.gz AJEGJDGKIWKCJV-UHFFFAOYSA-N 2 1 393.560 3.752 20 0 GHADMP CC[N@@H+]1CCCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001163776075 1026313574 /nfs/dbraw/zinc/31/35/74/1026313574.db2.gz BVUDENVIASPSFT-UHFFFAOYSA-N 2 1 399.608 3.698 20 0 GHADMP CC[N@H+]1CCCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001163776075 1026313594 /nfs/dbraw/zinc/31/35/94/1026313594.db2.gz BVUDENVIASPSFT-UHFFFAOYSA-N 2 1 399.608 3.698 20 0 GHADMP Cc1cnc(N2CCC(C[NH3+])CC2)nc1NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001163841832 1026335623 /nfs/dbraw/zinc/33/56/23/1026335623.db2.gz XBBKMUCHCKKFKL-UHFFFAOYSA-N 2 1 382.556 3.566 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@]4(CCCO4)C3)CC2)cc1 ZINC001139514520 1026369429 /nfs/dbraw/zinc/36/94/29/1026369429.db2.gz MLAUXBYJTCNEQZ-RUZDIDTESA-N 2 1 391.559 3.764 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139562327 1026432614 /nfs/dbraw/zinc/43/26/14/1026432614.db2.gz RZJHQDGCYJDHPW-NRFANRHFSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139562327 1026432619 /nfs/dbraw/zinc/43/26/19/1026432619.db2.gz RZJHQDGCYJDHPW-NRFANRHFSA-N 2 1 385.939 3.991 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[NH2+][C@@H](C)C4)c23)C1 ZINC001165186626 1026653984 /nfs/dbraw/zinc/65/39/84/1026653984.db2.gz FVIVTABCDWQBDS-CVEARBPZSA-N 2 1 399.608 3.600 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001165202599 1026665128 /nfs/dbraw/zinc/66/51/28/1026665128.db2.gz VWQGMTBPUFVRIQ-DLBZAZTESA-N 2 1 399.970 3.696 20 0 GHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c(OC)n1 ZINC001139924800 1026734608 /nfs/dbraw/zinc/73/46/08/1026734608.db2.gz VHMOSZYOEYZWRW-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001140024477 1026811689 /nfs/dbraw/zinc/81/16/89/1026811689.db2.gz DUHDOKQWVQHMSC-GGAORHGYSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001140024477 1026811700 /nfs/dbraw/zinc/81/17/00/1026811700.db2.gz DUHDOKQWVQHMSC-GGAORHGYSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001140024477 1026811712 /nfs/dbraw/zinc/81/17/12/1026811712.db2.gz DUHDOKQWVQHMSC-GGAORHGYSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1nccn1-c1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001140024477 1026811723 /nfs/dbraw/zinc/81/17/23/1026811723.db2.gz DUHDOKQWVQHMSC-GGAORHGYSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1nccn1-c1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001140024477 1026811733 /nfs/dbraw/zinc/81/17/33/1026811733.db2.gz DUHDOKQWVQHMSC-GGAORHGYSA-N 2 1 387.531 3.530 20 0 GHADMP CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027568 1026816559 /nfs/dbraw/zinc/81/65/59/1026816559.db2.gz QJFQZKLAKSWODQ-HXUWFJFHSA-N 2 1 387.524 3.751 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027568 1026816572 /nfs/dbraw/zinc/81/65/72/1026816572.db2.gz QJFQZKLAKSWODQ-HXUWFJFHSA-N 2 1 387.524 3.751 20 0 GHADMP CN(CC[N@H+](Cc1ccc(F)cc1)C1CCN(C)CC1)C(=O)OC(C)(C)C ZINC001203001718 1026870900 /nfs/dbraw/zinc/87/09/00/1026870900.db2.gz ILQMMRQONGWRFL-UHFFFAOYSA-N 2 1 379.520 3.589 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H](O)c2ccc(F)cn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382279 1026961368 /nfs/dbraw/zinc/96/13/68/1026961368.db2.gz IZKDHMALGQHMSY-DHIUTWEWSA-N 2 1 397.538 3.877 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC001461222596 1069449436 /nfs/dbraw/zinc/44/94/36/1069449436.db2.gz DRALDNLPOPFVTL-UHFFFAOYSA-N 2 1 399.554 3.910 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC001461222596 1069449444 /nfs/dbraw/zinc/44/94/44/1069449444.db2.gz DRALDNLPOPFVTL-UHFFFAOYSA-N 2 1 399.554 3.910 20 0 GHADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829649 1027639567 /nfs/dbraw/zinc/63/95/67/1027639567.db2.gz GSONWLNLKBMODJ-NRFANRHFSA-N 2 1 382.504 3.574 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829649 1027639573 /nfs/dbraw/zinc/63/95/73/1027639573.db2.gz GSONWLNLKBMODJ-NRFANRHFSA-N 2 1 382.504 3.574 20 0 GHADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829649 1027639584 /nfs/dbraw/zinc/63/95/84/1027639584.db2.gz GSONWLNLKBMODJ-NRFANRHFSA-N 2 1 382.504 3.574 20 0 GHADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829649 1027639589 /nfs/dbraw/zinc/63/95/89/1027639589.db2.gz GSONWLNLKBMODJ-NRFANRHFSA-N 2 1 382.504 3.574 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837276 1027671808 /nfs/dbraw/zinc/67/18/08/1027671808.db2.gz OTPOWGYJCGAGFE-VQTJNVASSA-N 2 1 378.605 3.595 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1C ZINC001203892699 1027687091 /nfs/dbraw/zinc/68/70/91/1027687091.db2.gz GKSVMKHFIXRKSW-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1C ZINC001203892699 1027687101 /nfs/dbraw/zinc/68/71/01/1027687101.db2.gz GKSVMKHFIXRKSW-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1C ZINC001203898386 1027692506 /nfs/dbraw/zinc/69/25/06/1027692506.db2.gz WHRUZOHQFHWWLO-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1C ZINC001203898386 1027692508 /nfs/dbraw/zinc/69/25/08/1027692508.db2.gz WHRUZOHQFHWWLO-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1C ZINC001203898386 1027692516 /nfs/dbraw/zinc/69/25/16/1027692516.db2.gz WHRUZOHQFHWWLO-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C ZINC001203898386 1027692522 /nfs/dbraw/zinc/69/25/22/1027692522.db2.gz WHRUZOHQFHWWLO-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001210970656 1027727979 /nfs/dbraw/zinc/72/79/79/1027727979.db2.gz OVKLVCFURCTQJN-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001210970656 1027727999 /nfs/dbraw/zinc/72/79/99/1027727999.db2.gz OVKLVCFURCTQJN-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001210970656 1027728014 /nfs/dbraw/zinc/72/80/14/1027728014.db2.gz OVKLVCFURCTQJN-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c1OCO3)CC2 ZINC001141951576 1027734721 /nfs/dbraw/zinc/73/47/21/1027734721.db2.gz KFDXEOMYTPRNIF-OAQYLSRUSA-N 2 1 394.515 3.671 20 0 GHADMP COc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2ccccc12 ZINC001203995485 1027794139 /nfs/dbraw/zinc/79/41/39/1027794139.db2.gz WBDUVIMSZUSLSX-UHFFFAOYSA-N 2 1 390.531 3.699 20 0 GHADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001204011767 1027805754 /nfs/dbraw/zinc/80/57/54/1027805754.db2.gz JFLLVAIRGWPAGK-QHAWAJNXSA-N 2 1 380.580 3.935 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142217576 1028394139 /nfs/dbraw/zinc/39/41/39/1028394139.db2.gz LKVPOXASSIFEAR-UHFFFAOYSA-N 2 1 381.568 3.979 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142222905 1028412211 /nfs/dbraw/zinc/41/22/11/1028412211.db2.gz ZRLSVWOZJFXKKF-FQEVSTJZSA-N 2 1 396.579 3.963 20 0 GHADMP FC(F)(F)c1cccnc1NCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000177807691 1028463993 /nfs/dbraw/zinc/46/39/93/1028463993.db2.gz OWWLWAUIAWVGMH-UHFFFAOYSA-N 2 1 378.442 3.767 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559873 1029062978 /nfs/dbraw/zinc/06/29/78/1029062978.db2.gz MUPCWRGVWUGJSP-FCHUYYIVSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559873 1029062988 /nfs/dbraw/zinc/06/29/88/1029062988.db2.gz MUPCWRGVWUGJSP-FCHUYYIVSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559873 1029063001 /nfs/dbraw/zinc/06/30/01/1029063001.db2.gz MUPCWRGVWUGJSP-FCHUYYIVSA-N 2 1 383.580 3.525 20 0 GHADMP CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(C[NH2+]CC(C)C)cc1 ZINC001215744748 1029377472 /nfs/dbraw/zinc/37/74/72/1029377472.db2.gz HHOZGAPOLHJMCC-UHFFFAOYSA-N 2 1 379.508 3.662 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3csc(Cl)c3)O2)CC1 ZINC001142766401 1029400101 /nfs/dbraw/zinc/40/01/01/1029400101.db2.gz YGRCQYWSOWJUEB-GUDVDZBRSA-N 2 1 399.000 3.882 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3csc(Cl)c3)O2)CC1 ZINC001142766401 1029400115 /nfs/dbraw/zinc/40/01/15/1029400115.db2.gz YGRCQYWSOWJUEB-GUDVDZBRSA-N 2 1 399.000 3.882 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCc2ccccc21 ZINC000842677646 1029484849 /nfs/dbraw/zinc/48/48/49/1029484849.db2.gz VBVZXFJDAJNDGM-WIOPSUGQSA-N 2 1 376.544 3.997 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCc2ccccc21 ZINC000842677646 1029484857 /nfs/dbraw/zinc/48/48/57/1029484857.db2.gz VBVZXFJDAJNDGM-WIOPSUGQSA-N 2 1 376.544 3.997 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000842919926 1029686018 /nfs/dbraw/zinc/68/60/18/1029686018.db2.gz DPDHANBPIYFMJS-AAIMPIBUSA-N 2 1 377.532 3.809 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3nccnc3-c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC001142980734 1029752727 /nfs/dbraw/zinc/75/27/27/1029752727.db2.gz LQSHNGPWTSSIHS-UHFFFAOYSA-N 2 1 379.895 3.823 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843056102 1029790796 /nfs/dbraw/zinc/79/07/96/1029790796.db2.gz ZEZFMUWJXMDSJV-UHFFFAOYSA-N 2 1 385.346 3.566 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000843125341 1029817009 /nfs/dbraw/zinc/81/70/09/1029817009.db2.gz SOLWUVRVBBNGJT-QWHCGFSZSA-N 2 1 380.355 3.880 20 0 GHADMP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843126993 1029817371 /nfs/dbraw/zinc/81/73/71/1029817371.db2.gz NSQAOUDLGURRMC-GASCZTMLSA-N 2 1 379.335 3.919 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000843128584 1029818425 /nfs/dbraw/zinc/81/84/25/1029818425.db2.gz KKJIJFFPNQQIFE-JQVVWYNYSA-N 2 1 391.531 3.508 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000843128584 1029818430 /nfs/dbraw/zinc/81/84/30/1029818430.db2.gz KKJIJFFPNQQIFE-JQVVWYNYSA-N 2 1 391.531 3.508 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000843128352 1029818845 /nfs/dbraw/zinc/81/88/45/1029818845.db2.gz JEQOHHGCZYSUGI-VQTJNVASSA-N 2 1 391.531 3.508 20 0 GHADMP CC(C)([NH3+])Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000843207786 1029852664 /nfs/dbraw/zinc/85/26/64/1029852664.db2.gz PIYMMOOBPJNTOS-UHFFFAOYSA-N 2 1 392.503 3.516 20 0 GHADMP CN(C(=O)C[N@@H+](C)C1CCC([NH3+])CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000843355395 1029934788 /nfs/dbraw/zinc/93/47/88/1029934788.db2.gz MSZNZXCVUFSEDG-YDPRHXJPSA-N 2 1 383.511 3.575 20 0 GHADMP Cn1c2ccccc2c(Cl)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1=O ZINC001222167213 1029984677 /nfs/dbraw/zinc/98/46/77/1029984677.db2.gz ICICPFMXSQTOJX-QFIPXVFZSA-N 2 1 387.955 3.938 20 0 GHADMP Brc1ccc2ccccc2c1C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181647 1029991172 /nfs/dbraw/zinc/99/11/72/1029991172.db2.gz RWHGJYZJQPSRCC-UHFFFAOYSA-N 2 1 375.310 3.557 20 0 GHADMP Brc1ccc2ccccc2c1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181647 1029991174 /nfs/dbraw/zinc/99/11/74/1029991174.db2.gz RWHGJYZJQPSRCC-UHFFFAOYSA-N 2 1 375.310 3.557 20 0 GHADMP Brc1c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)ccc2ccccc21 ZINC001222407963 1030112445 /nfs/dbraw/zinc/11/24/45/1030112445.db2.gz TZZUNRXFMBZTDQ-UHFFFAOYSA-N 2 1 389.337 3.804 20 0 GHADMP O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001149346827 1030143134 /nfs/dbraw/zinc/14/31/34/1030143134.db2.gz KYOBIVMMCXCDFT-JOCHJYFZSA-N 2 1 378.520 3.660 20 0 GHADMP c1nc2cc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccc2[nH]1 ZINC001222574602 1030204445 /nfs/dbraw/zinc/20/44/45/1030204445.db2.gz IAPKCHCKLYNHAI-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1nc2ccc(C[N@@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc2[nH]1 ZINC001222574602 1030204464 /nfs/dbraw/zinc/20/44/64/1030204464.db2.gz IAPKCHCKLYNHAI-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1nc2ccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc2[nH]1 ZINC001222574602 1030204481 /nfs/dbraw/zinc/20/44/81/1030204481.db2.gz IAPKCHCKLYNHAI-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1cc2c(nccc2C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]1 ZINC001222584512 1030211654 /nfs/dbraw/zinc/21/16/54/1030211654.db2.gz TUUONKCWEBJUKS-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP c1[nH+]c(CN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c2ccccn12 ZINC001222583349 1030212116 /nfs/dbraw/zinc/21/21/16/1030212116.db2.gz NFFQDWHKKYUDDC-OAQYLSRUSA-N 2 1 390.531 3.638 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)CCN3)cc1 ZINC001222591145 1030217695 /nfs/dbraw/zinc/21/76/95/1030217695.db2.gz RNBDOUGYCFPKPE-HSZRJFAPSA-N 2 1 391.559 3.958 20 0 GHADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)n2)cc1 ZINC001222601983 1030226079 /nfs/dbraw/zinc/22/60/79/1030226079.db2.gz FIYHWZOWGAALSA-HSZRJFAPSA-N 2 1 385.511 3.946 20 0 GHADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)n2)cc1 ZINC001222601983 1030226094 /nfs/dbraw/zinc/22/60/94/1030226094.db2.gz FIYHWZOWGAALSA-HSZRJFAPSA-N 2 1 385.511 3.946 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001222618473 1030242453 /nfs/dbraw/zinc/24/24/53/1030242453.db2.gz SKJUYDOTFDGUPU-GOTSBHOMSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222618473 1030242469 /nfs/dbraw/zinc/24/24/69/1030242469.db2.gz SKJUYDOTFDGUPU-GOTSBHOMSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222618473 1030242482 /nfs/dbraw/zinc/24/24/82/1030242482.db2.gz SKJUYDOTFDGUPU-GOTSBHOMSA-N 2 1 398.595 3.605 20 0 GHADMP FC(F)(F)c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC001222629495 1030250057 /nfs/dbraw/zinc/25/00/57/1030250057.db2.gz JWLAOZGSAKPDBZ-BETUJISGSA-N 2 1 377.248 3.899 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)c2n1 ZINC001206633300 1030469761 /nfs/dbraw/zinc/46/97/61/1030469761.db2.gz VMYLBTXWTQQKLP-ZDUSSCGKSA-N 2 1 378.314 3.567 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c2n1 ZINC001206633300 1030469772 /nfs/dbraw/zinc/46/97/72/1030469772.db2.gz VMYLBTXWTQQKLP-ZDUSSCGKSA-N 2 1 378.314 3.567 20 0 GHADMP CN(C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150431125 1030527679 /nfs/dbraw/zinc/52/76/79/1030527679.db2.gz JRXKHMCNVFULDY-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150431125 1030527689 /nfs/dbraw/zinc/52/76/89/1030527689.db2.gz JRXKHMCNVFULDY-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150431125 1030527702 /nfs/dbraw/zinc/52/77/02/1030527702.db2.gz JRXKHMCNVFULDY-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001223444040 1030575998 /nfs/dbraw/zinc/57/59/98/1030575998.db2.gz LTAZNBQDMMEZKV-MOPGFXCFSA-N 2 1 392.613 3.647 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001223507486 1030609607 /nfs/dbraw/zinc/60/96/07/1030609607.db2.gz DRDJRKYHYNZJFW-HKUYNNGSSA-N 2 1 390.597 3.591 20 0 GHADMP C[C@@H](Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3)C1CC[NH2+]CC1 ZINC001218009291 1030719865 /nfs/dbraw/zinc/71/98/65/1030719865.db2.gz JYGHGRKQNGESSO-FOIQADDNSA-N 2 1 378.516 3.911 20 0 GHADMP OC1(CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001461721674 1069702648 /nfs/dbraw/zinc/70/26/48/1069702648.db2.gz PZKIERBZWIZJBG-UHFFFAOYSA-N 2 1 390.531 3.584 20 0 GHADMP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001218713072 1031045381 /nfs/dbraw/zinc/04/53/81/1031045381.db2.gz QNINFQYWLXXICJ-RDJZCZTQSA-N 2 1 388.899 3.603 20 0 GHADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C(F)(F)C1CC[NH2+]CC1 ZINC001218846741 1031112934 /nfs/dbraw/zinc/11/29/34/1031112934.db2.gz DMWRUKJEFVRQER-UHFFFAOYSA-N 2 1 385.458 3.776 20 0 GHADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C(F)(F)C1CC[NH2+]CC1 ZINC001218846741 1031112940 /nfs/dbraw/zinc/11/29/40/1031112940.db2.gz DMWRUKJEFVRQER-UHFFFAOYSA-N 2 1 385.458 3.776 20 0 GHADMP O=C(Nc1cc(C2CCCCC2)ccc1O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219398387 1031396014 /nfs/dbraw/zinc/39/60/14/1031396014.db2.gz INWGWGYRXHTDSC-LJQANCHMSA-N 2 1 385.552 3.842 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)Nc3ccnc(C[NH+](C)C)c3)CC2)CC1 ZINC001219713463 1031576355 /nfs/dbraw/zinc/57/63/55/1031576355.db2.gz TYURXNCUVKHYQF-UHFFFAOYSA-N 2 1 387.572 3.508 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001219941210 1031708610 /nfs/dbraw/zinc/70/86/10/1031708610.db2.gz REKPOUTUFVFMKZ-REWPJTCUSA-N 2 1 377.532 3.753 20 0 GHADMP C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001226057078 1031762330 /nfs/dbraw/zinc/76/23/30/1031762330.db2.gz JDWJUIICEMIEJM-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001226057078 1031762344 /nfs/dbraw/zinc/76/23/44/1031762344.db2.gz JDWJUIICEMIEJM-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001226057078 1031762361 /nfs/dbraw/zinc/76/23/61/1031762361.db2.gz JDWJUIICEMIEJM-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001226057078 1031762373 /nfs/dbraw/zinc/76/23/73/1031762373.db2.gz JDWJUIICEMIEJM-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001226057078 1031762384 /nfs/dbraw/zinc/76/23/84/1031762384.db2.gz JDWJUIICEMIEJM-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC001220195101 1031830208 /nfs/dbraw/zinc/83/02/08/1031830208.db2.gz PPXKPMWYWWSXLX-UHFFFAOYSA-N 2 1 385.556 3.991 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001220523196 1031975915 /nfs/dbraw/zinc/97/59/15/1031975915.db2.gz FPRZWMBNJOFBTK-KDURUIRLSA-N 2 1 388.600 3.742 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001226592213 1032027289 /nfs/dbraw/zinc/02/72/89/1032027289.db2.gz VINDQRFFTYUIGY-AERCQKQUSA-N 2 1 392.547 3.818 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1C[NH+](Cc1ccccc1)CC3)C2 ZINC001226592213 1032027303 /nfs/dbraw/zinc/02/73/03/1032027303.db2.gz VINDQRFFTYUIGY-AERCQKQUSA-N 2 1 392.547 3.818 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001226592213 1032027316 /nfs/dbraw/zinc/02/73/16/1032027316.db2.gz VINDQRFFTYUIGY-AERCQKQUSA-N 2 1 392.547 3.818 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001226592213 1032027334 /nfs/dbraw/zinc/02/73/34/1032027334.db2.gz VINDQRFFTYUIGY-AERCQKQUSA-N 2 1 392.547 3.818 20 0 GHADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC001205248718 1033324352 /nfs/dbraw/zinc/32/43/52/1033324352.db2.gz RRXUXUYSLCEIRE-FQEVSTJZSA-N 2 1 394.437 3.928 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001205264812 1033331928 /nfs/dbraw/zinc/33/19/28/1033331928.db2.gz MZLPSWJWWAZFSV-QHCPKHFHSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001205264812 1033331936 /nfs/dbraw/zinc/33/19/36/1033331936.db2.gz MZLPSWJWWAZFSV-QHCPKHFHSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001205315342 1033356857 /nfs/dbraw/zinc/35/68/57/1033356857.db2.gz DWVMBLFOJXOUJR-PXNSSMCTSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001205315342 1033356870 /nfs/dbraw/zinc/35/68/70/1033356870.db2.gz DWVMBLFOJXOUJR-PXNSSMCTSA-N 2 1 384.520 3.700 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205616749 1033494314 /nfs/dbraw/zinc/49/43/14/1033494314.db2.gz GWFLXUULNPFYOD-MOPGFXCFSA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205616749 1033494322 /nfs/dbraw/zinc/49/43/22/1033494322.db2.gz GWFLXUULNPFYOD-MOPGFXCFSA-N 2 1 386.561 3.635 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3CCN(C(=O)OCc4ccccc4)CC3)C2)CC1 ZINC001205697095 1033534915 /nfs/dbraw/zinc/53/49/15/1033534915.db2.gz TWNPDFKYMVGAPB-HSZRJFAPSA-N 2 1 399.579 3.699 20 0 GHADMP CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@@H]3C[C@@H]4CC(=O)C[C@H]3[N@H+]4C)c2C1 ZINC001229647126 1033613326 /nfs/dbraw/zinc/61/33/26/1033613326.db2.gz DOMJYHUNKYKSKL-OMXLDXBASA-N 2 1 384.564 3.849 20 0 GHADMP CCC[N@H+]1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]2C1 ZINC001157698012 1033727853 /nfs/dbraw/zinc/72/78/53/1033727853.db2.gz AMQPHIDJOFFDFE-HDICACEKSA-N 2 1 399.608 3.682 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]2C1 ZINC001157698012 1033727869 /nfs/dbraw/zinc/72/78/69/1033727869.db2.gz AMQPHIDJOFFDFE-HDICACEKSA-N 2 1 399.608 3.682 20 0 GHADMP Cc1nc2c(c(OC3CCC([NH+](C)C)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229846399 1033749399 /nfs/dbraw/zinc/74/93/99/1033749399.db2.gz LWFNQVLJMDPTCX-UHFFFAOYSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(OC3CCC([NH+](C)C)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229846399 1033749401 /nfs/dbraw/zinc/74/94/01/1033749401.db2.gz LWFNQVLJMDPTCX-UHFFFAOYSA-N 2 1 380.536 3.595 20 0 GHADMP COc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC001206584394 1033914938 /nfs/dbraw/zinc/91/49/38/1033914938.db2.gz YVQJIYMUFNVCCE-HNNXBMFYSA-N 2 1 385.346 3.819 20 0 GHADMP CC(C)[N@H+](Cc1cc(I)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206588914 1033916686 /nfs/dbraw/zinc/91/66/86/1033916686.db2.gz DAIVFFCKDXHAJR-OAHLLOKOSA-N 2 1 390.284 3.783 20 0 GHADMP CC(C)[N@@H+](Cc1cc(I)ccc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206588914 1033916690 /nfs/dbraw/zinc/91/66/90/1033916690.db2.gz DAIVFFCKDXHAJR-OAHLLOKOSA-N 2 1 390.284 3.783 20 0 GHADMP COc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(OC)cc1Br ZINC001206590448 1033917854 /nfs/dbraw/zinc/91/78/54/1033917854.db2.gz MDEMTGBNQLLZKI-HNNXBMFYSA-N 2 1 385.346 3.819 20 0 GHADMP Cc1c(I)cccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206606070 1033921902 /nfs/dbraw/zinc/92/19/02/1033921902.db2.gz CDCJNEYADMYGII-MRXNPFEDSA-N 2 1 386.321 3.952 20 0 GHADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206623478 1033927442 /nfs/dbraw/zinc/92/74/42/1033927442.db2.gz LSRJJZSZZYQYPM-HSZRJFAPSA-N 3 1 392.591 3.570 20 0 GHADMP c1nn(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c2ccccc12 ZINC001206722626 1033958384 /nfs/dbraw/zinc/95/83/84/1033958384.db2.gz PQIVWYVBXIZGJE-UHFFFAOYSA-N 2 1 390.531 3.706 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(Br)ccc(O)c2F)CC1 ZINC001206761496 1033974063 /nfs/dbraw/zinc/97/40/63/1033974063.db2.gz ZUYMQAURJXXTRN-UHFFFAOYSA-N 2 1 393.300 3.786 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(OCc2ccccc2)cc1OC ZINC001206772127 1033977537 /nfs/dbraw/zinc/97/75/37/1033977537.db2.gz YMVDAILNEBBSGN-HKUYNNGSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c(OCc2ccccc2)cc1OC ZINC001206772127 1033977543 /nfs/dbraw/zinc/97/75/43/1033977543.db2.gz YMVDAILNEBBSGN-HKUYNNGSSA-N 2 1 384.520 3.842 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1F)CC2 ZINC001206784901 1033982609 /nfs/dbraw/zinc/98/26/09/1033982609.db2.gz YHEXMVXEIIKTJN-QGZVFWFLSA-N 2 1 375.513 3.538 20 0 GHADMP O=C(c1ccc(OCc2ccccc2)cc1)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC001206809944 1033993832 /nfs/dbraw/zinc/99/38/32/1033993832.db2.gz MNPNZSCKMAPXCM-FQEVSTJZSA-N 2 1 378.516 3.770 20 0 GHADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC001206990954 1034043959 /nfs/dbraw/zinc/04/39/59/1034043959.db2.gz JQBPWGOLBFQGQR-CAOCKLPOSA-N 2 1 394.559 3.912 20 0 GHADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)COCc1ccccc1 ZINC001206990954 1034043971 /nfs/dbraw/zinc/04/39/71/1034043971.db2.gz JQBPWGOLBFQGQR-CAOCKLPOSA-N 2 1 394.559 3.912 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ncc(F)cc1F)CC2 ZINC001207096386 1034090495 /nfs/dbraw/zinc/09/04/95/1034090495.db2.gz OBCKOUVFRARJPN-LJQANCHMSA-N 2 1 387.474 3.615 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccc(C(F)F)c2)CC1 ZINC001207129471 1034114749 /nfs/dbraw/zinc/11/47/49/1034114749.db2.gz WXUXBJBLTUCALV-WOJBJXKFSA-N 2 1 391.506 3.531 20 0 GHADMP COCCN1CCOC[C@]2(CCC[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182502 1034151315 /nfs/dbraw/zinc/15/13/15/1034151315.db2.gz LBNOQSOIMOBFHE-ILWGZMRPSA-N 2 1 392.971 3.504 20 0 GHADMP CC[N@@H+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C(C)(C)C1 ZINC001158561658 1034155993 /nfs/dbraw/zinc/15/59/93/1034155993.db2.gz KEGVGVCTXOPXRO-UHFFFAOYSA-N 2 1 387.597 3.824 20 0 GHADMP CC[N@H+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C(C)(C)C1 ZINC001158561658 1034156002 /nfs/dbraw/zinc/15/60/02/1034156002.db2.gz KEGVGVCTXOPXRO-UHFFFAOYSA-N 2 1 387.597 3.824 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001230642337 1034160026 /nfs/dbraw/zinc/16/00/26/1034160026.db2.gz CYINPSIKTRACAZ-YADHBBJMSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001230642337 1034160032 /nfs/dbraw/zinc/16/00/32/1034160032.db2.gz CYINPSIKTRACAZ-YADHBBJMSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001230642337 1034160036 /nfs/dbraw/zinc/16/00/36/1034160036.db2.gz CYINPSIKTRACAZ-YADHBBJMSA-N 2 1 392.632 3.698 20 0 GHADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(c2nc3ccc(-c4cccnc4)cn3n2)CC1 ZINC001207282395 1034235207 /nfs/dbraw/zinc/23/52/07/1034235207.db2.gz PMJCWFBDPRYKRL-UHFFFAOYSA-N 2 1 392.551 3.559 20 0 GHADMP c1nc(COCC2CC2)c2n1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207290655 1034241758 /nfs/dbraw/zinc/24/17/58/1034241758.db2.gz GUZRGODMRQLAKA-UHFFFAOYSA-N 2 1 394.563 3.538 20 0 GHADMP c1nc(COCC2CC2)c2n1CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207290655 1034241766 /nfs/dbraw/zinc/24/17/66/1034241766.db2.gz GUZRGODMRQLAKA-UHFFFAOYSA-N 2 1 394.563 3.538 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+](Cc3cccnc3)C3CCOCC3)CC2)cc1 ZINC001207291770 1034243558 /nfs/dbraw/zinc/24/35/58/1034243558.db2.gz YHLIGEPYSUSIEJ-UHFFFAOYSA-N 2 1 379.548 3.975 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cc1 ZINC001207291880 1034244333 /nfs/dbraw/zinc/24/43/33/1034244333.db2.gz DURIZODZOUAJEC-WMPKNSHKSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cc1 ZINC001207291880 1034244341 /nfs/dbraw/zinc/24/43/41/1034244341.db2.gz DURIZODZOUAJEC-WMPKNSHKSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cc1 ZINC001207291880 1034244352 /nfs/dbraw/zinc/24/43/52/1034244352.db2.gz DURIZODZOUAJEC-WMPKNSHKSA-N 3 1 389.587 3.962 20 0 GHADMP c1ccc(CN2C[C@@H]3C[N@H+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cc1 ZINC001207291880 1034244366 /nfs/dbraw/zinc/24/43/66/1034244366.db2.gz DURIZODZOUAJEC-WMPKNSHKSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(CN2C[C@@H]3C[N@@H+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cc1 ZINC001207291880 1034244378 /nfs/dbraw/zinc/24/43/78/1034244378.db2.gz DURIZODZOUAJEC-WMPKNSHKSA-N 2 1 389.587 3.962 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCc1ccc(Br)cc1)CC2 ZINC001207320678 1034270334 /nfs/dbraw/zinc/27/03/34/1034270334.db2.gz CHIQDYUEBBMKMC-UHFFFAOYSA-N 2 1 380.330 3.512 20 0 GHADMP C[C@@H]1C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001207333903 1034283066 /nfs/dbraw/zinc/28/30/66/1034283066.db2.gz KIQRAAKNRSNDFE-QGZVFWFLSA-N 2 1 376.545 3.628 20 0 GHADMP C[C@@H]1C[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001207333903 1034283067 /nfs/dbraw/zinc/28/30/67/1034283067.db2.gz KIQRAAKNRSNDFE-QGZVFWFLSA-N 2 1 376.545 3.628 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)c1-c1ccccc1 ZINC001207401514 1034341848 /nfs/dbraw/zinc/34/18/48/1034341848.db2.gz GKCIGFYXPSQROB-IBGZPJMESA-N 2 1 398.576 3.900 20 0 GHADMP Fc1ccccc1CCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001207491021 1034397140 /nfs/dbraw/zinc/39/71/40/1034397140.db2.gz BYGDJFSVMRYDTQ-UHFFFAOYSA-N 2 1 397.538 3.768 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418328 1034569038 /nfs/dbraw/zinc/56/90/38/1034569038.db2.gz QTNURBLZEAIGGT-RTWAWAEBSA-N 2 1 394.515 3.523 20 0 GHADMP COC(=O)c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418328 1034569045 /nfs/dbraw/zinc/56/90/45/1034569045.db2.gz QTNURBLZEAIGGT-RTWAWAEBSA-N 2 1 394.515 3.523 20 0 GHADMP COC(=O)c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418328 1034569048 /nfs/dbraw/zinc/56/90/48/1034569048.db2.gz QTNURBLZEAIGGT-RTWAWAEBSA-N 2 1 394.515 3.523 20 0 GHADMP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(CC[NH+]3CCOCC3)c2)C1 ZINC001159388629 1034574764 /nfs/dbraw/zinc/57/47/64/1034574764.db2.gz IUSPRRYGFQBEDM-JBACZVJFSA-N 2 1 394.563 3.931 20 0 GHADMP CCOc1cc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)ccc1O ZINC001207813084 1034591532 /nfs/dbraw/zinc/59/15/32/1034591532.db2.gz INCDFGJMVJVCCU-UHFFFAOYSA-N 2 1 392.503 3.703 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]21 ZINC001231509732 1034658525 /nfs/dbraw/zinc/65/85/25/1034658525.db2.gz DKSBAUGBCVAPMY-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]21 ZINC001231509732 1034658534 /nfs/dbraw/zinc/65/85/34/1034658534.db2.gz DKSBAUGBCVAPMY-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]21 ZINC001231509732 1034658547 /nfs/dbraw/zinc/65/85/47/1034658547.db2.gz DKSBAUGBCVAPMY-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]21 ZINC001231509732 1034658556 /nfs/dbraw/zinc/65/85/56/1034658556.db2.gz DKSBAUGBCVAPMY-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CC2(C)CC[NH+](C)CC2)CC3)c1 ZINC001208106879 1034738834 /nfs/dbraw/zinc/73/88/34/1034738834.db2.gz HZKARKMFGYGVMR-UHFFFAOYSA-N 3 1 385.596 3.715 20 0 GHADMP C[N@@H+]1Cc2c(Nc3ccc(N4CC[NH2+]CC4)nc3)cccc2[C@@H](c2ccccc2)C1 ZINC001159808260 1034749798 /nfs/dbraw/zinc/74/97/98/1034749798.db2.gz VWVMSYJNWAGUND-JOCHJYFZSA-N 2 1 399.542 3.812 20 0 GHADMP C[NH+](C)CC1(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CCCC1 ZINC001208187563 1034785015 /nfs/dbraw/zinc/78/50/15/1034785015.db2.gz ZMQSFRIOZCQOJG-HSZRJFAPSA-N 2 1 399.623 3.864 20 0 GHADMP CN(C)CC1(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CCCC1 ZINC001208187563 1034785026 /nfs/dbraw/zinc/78/50/26/1034785026.db2.gz ZMQSFRIOZCQOJG-HSZRJFAPSA-N 2 1 399.623 3.864 20 0 GHADMP CN(C)CC1(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CCCC1 ZINC001208187563 1034785036 /nfs/dbraw/zinc/78/50/36/1034785036.db2.gz ZMQSFRIOZCQOJG-HSZRJFAPSA-N 2 1 399.623 3.864 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC[C@@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208650 1034799961 /nfs/dbraw/zinc/79/99/61/1034799961.db2.gz DIAKIVQSRNZNBH-PMACEKPBSA-N 2 1 396.616 3.957 20 0 GHADMP c1ccc(OCC2CC[NH2+]CC2)c(Nc2cccc(CC[NH+]3CCOCC3)c2)c1 ZINC001160188499 1034894682 /nfs/dbraw/zinc/89/46/82/1034894682.db2.gz ZUESAXMGRAIHLN-UHFFFAOYSA-N 2 1 395.547 3.683 20 0 GHADMP c1ccc(O[C@H]2CCC[NH2+]C2)c(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001160233635 1034911737 /nfs/dbraw/zinc/91/17/37/1034911737.db2.gz RQDCVUQBCMXNRO-NRFANRHFSA-N 2 1 393.531 3.882 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001208593257 1034949120 /nfs/dbraw/zinc/94/91/20/1034949120.db2.gz RVMCKLGAYKHQFR-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885440 1034967667 /nfs/dbraw/zinc/96/76/67/1034967667.db2.gz MHNBPYGJDOCRQC-YUXAGFNASA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885440 1034967670 /nfs/dbraw/zinc/96/76/70/1034967670.db2.gz MHNBPYGJDOCRQC-YUXAGFNASA-N 2 1 393.531 3.585 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC001231907638 1034983300 /nfs/dbraw/zinc/98/33/00/1034983300.db2.gz WYYXOEAATFQNGQ-IEIRFRATSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC001231907638 1034983302 /nfs/dbraw/zinc/98/33/02/1034983302.db2.gz WYYXOEAATFQNGQ-IEIRFRATSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC001231907638 1034983309 /nfs/dbraw/zinc/98/33/09/1034983309.db2.gz WYYXOEAATFQNGQ-IEIRFRATSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC001231907638 1034983310 /nfs/dbraw/zinc/98/33/10/1034983310.db2.gz WYYXOEAATFQNGQ-IEIRFRATSA-N 2 1 375.520 3.690 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001160572727 1035006172 /nfs/dbraw/zinc/00/61/72/1035006172.db2.gz TWJMDXWOVQQHGH-JQVVWYNYSA-N 2 1 389.584 3.609 20 0 GHADMP CC(C)N(C)Cc1nnc2n1CCCN(CC1(c3ccccc3)CCCC1)C2 ZINC001208776113 1035015376 /nfs/dbraw/zinc/01/53/76/1035015376.db2.gz PDGGDMHXSRLBFG-UHFFFAOYSA-N 2 1 381.568 3.836 20 0 GHADMP COC(=O)c1sc2c(c1NC1=CC[N@@H+](C)CC1)CC[NH+](Cc1ccccc1)C2 ZINC001208802854 1035030885 /nfs/dbraw/zinc/03/08/85/1035030885.db2.gz PVZQNQORODEVIG-UHFFFAOYSA-N 2 1 397.544 3.724 20 0 GHADMP COC(=O)c1sc2c(c1NC1=CC[NH+](C)CC1)CC[N@@H+](Cc1ccccc1)C2 ZINC001208802854 1035030890 /nfs/dbraw/zinc/03/08/90/1035030890.db2.gz PVZQNQORODEVIG-UHFFFAOYSA-N 2 1 397.544 3.724 20 0 GHADMP COC(=O)c1sc2c(c1NC1=CC[NH+](C)CC1)CC[N@H+](Cc1ccccc1)C2 ZINC001208802854 1035030900 /nfs/dbraw/zinc/03/09/00/1035030900.db2.gz PVZQNQORODEVIG-UHFFFAOYSA-N 2 1 397.544 3.724 20 0 GHADMP CC1(C)C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160683443 1035035675 /nfs/dbraw/zinc/03/56/75/1035035675.db2.gz MMQMCXDLTKQRRI-DHIUTWEWSA-N 2 1 391.559 3.535 20 0 GHADMP CC[N@@H+](CCOC)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208815634 1035036654 /nfs/dbraw/zinc/03/66/54/1035036654.db2.gz NJFUHRYCJYPNTI-UHFFFAOYSA-N 2 1 390.568 3.822 20 0 GHADMP O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232013401 1035043965 /nfs/dbraw/zinc/04/39/65/1035043965.db2.gz NMVWRRFPJHORLQ-DEOSSOPVSA-N 2 1 388.515 3.620 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015048 1035045915 /nfs/dbraw/zinc/04/59/15/1035045915.db2.gz QWTVPIRLQYWSIU-QHCPKHFHSA-N 2 1 392.478 3.717 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160738842 1035050447 /nfs/dbraw/zinc/05/04/47/1035050447.db2.gz KVHKAVYLAUJVDK-JKSUJKDBSA-N 2 1 393.388 3.571 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001208838858 1035051392 /nfs/dbraw/zinc/05/13/92/1035051392.db2.gz WHWOZIYACJAHAO-UHFFFAOYSA-N 2 1 398.378 3.588 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CCN(CCCc3ccccc3Cl)CC2)C1 ZINC001208875531 1035072674 /nfs/dbraw/zinc/07/26/74/1035072674.db2.gz XKZCPJWTUWSQPX-GOSISDBHSA-N 2 1 378.944 3.622 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208930983 1035095051 /nfs/dbraw/zinc/09/50/51/1035095051.db2.gz GNBBZZWKGXLJBW-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208930983 1035095060 /nfs/dbraw/zinc/09/50/60/1035095060.db2.gz GNBBZZWKGXLJBW-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208930983 1035095068 /nfs/dbraw/zinc/09/50/68/1035095068.db2.gz GNBBZZWKGXLJBW-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP O=C1N(CC2CC2)CC[C@@]12CCCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934610 1035098493 /nfs/dbraw/zinc/09/84/93/1035098493.db2.gz JZIVSIZIDZBOKZ-ILBGXUMGSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@@]12CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208934610 1035098512 /nfs/dbraw/zinc/09/85/12/1035098512.db2.gz JZIVSIZIDZBOKZ-ILBGXUMGSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@@]12CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934610 1035098517 /nfs/dbraw/zinc/09/85/17/1035098517.db2.gz JZIVSIZIDZBOKZ-ILBGXUMGSA-N 2 1 395.591 3.623 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCc4ncnc(C5CC5)c4CC3)C2)cc1 ZINC001208937109 1035105373 /nfs/dbraw/zinc/10/53/73/1035105373.db2.gz VLQOAOGEMOGLNP-FQEVSTJZSA-N 2 1 376.548 3.667 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCc4ncnc(C5CC5)c4CC3)C2)cc1 ZINC001208937109 1035105378 /nfs/dbraw/zinc/10/53/78/1035105378.db2.gz VLQOAOGEMOGLNP-FQEVSTJZSA-N 2 1 376.548 3.667 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCc4ncnc(C5CC5)c4CC3)C2)cc1 ZINC001208937109 1035105381 /nfs/dbraw/zinc/10/53/81/1035105381.db2.gz VLQOAOGEMOGLNP-FQEVSTJZSA-N 2 1 376.548 3.667 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC4(C3)CC[NH+](Cc3cccnc3)C4)C2)cc1 ZINC001208938126 1035106818 /nfs/dbraw/zinc/10/68/18/1035106818.db2.gz UYRKMHPWKJPOAE-DEOSSOPVSA-N 2 1 390.575 3.502 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CC4(C3)CC[N@H+](Cc3cccnc3)C4)C2)cc1 ZINC001208938126 1035106827 /nfs/dbraw/zinc/10/68/27/1035106827.db2.gz UYRKMHPWKJPOAE-DEOSSOPVSA-N 2 1 390.575 3.502 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CC4(C3)CC[N@@H+](Cc3cccnc3)C4)C2)cc1 ZINC001208938126 1035106832 /nfs/dbraw/zinc/10/68/32/1035106832.db2.gz UYRKMHPWKJPOAE-DEOSSOPVSA-N 2 1 390.575 3.502 20 0 GHADMP Cc1cccc(N2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001208940300 1035108088 /nfs/dbraw/zinc/10/80/88/1035108088.db2.gz QVDZETNOIYMSOT-HSZRJFAPSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccc(N2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940300 1035108092 /nfs/dbraw/zinc/10/80/92/1035108092.db2.gz QVDZETNOIYMSOT-HSZRJFAPSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccc(N2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940300 1035108099 /nfs/dbraw/zinc/10/80/99/1035108099.db2.gz QVDZETNOIYMSOT-HSZRJFAPSA-N 2 1 378.564 3.814 20 0 GHADMP COc1cccc(OC2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208942498 1035111249 /nfs/dbraw/zinc/11/12/49/1035111249.db2.gz IUSIQAGRMJNBHJ-OAQYLSRUSA-N 2 1 395.547 3.846 20 0 GHADMP O=C(NC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCC1 ZINC001208944185 1035114017 /nfs/dbraw/zinc/11/40/17/1035114017.db2.gz OLAVUABMAGQBFW-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948939 1035118444 /nfs/dbraw/zinc/11/84/44/1035118444.db2.gz UDYHZCRADGEGSS-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948939 1035118445 /nfs/dbraw/zinc/11/84/45/1035118445.db2.gz UDYHZCRADGEGSS-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948939 1035118447 /nfs/dbraw/zinc/11/84/47/1035118447.db2.gz UDYHZCRADGEGSS-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948939 1035118450 /nfs/dbraw/zinc/11/84/50/1035118450.db2.gz UDYHZCRADGEGSS-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208947874 1035118866 /nfs/dbraw/zinc/11/88/66/1035118866.db2.gz MZNRXCCLHAQCBJ-OEMFJLHTSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208947874 1035118870 /nfs/dbraw/zinc/11/88/70/1035118870.db2.gz MZNRXCCLHAQCBJ-OEMFJLHTSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208947874 1035118876 /nfs/dbraw/zinc/11/88/76/1035118876.db2.gz MZNRXCCLHAQCBJ-OEMFJLHTSA-N 2 1 392.543 3.787 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948941 1035119483 /nfs/dbraw/zinc/11/94/83/1035119483.db2.gz UDYHZCRADGEGSS-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948941 1035119486 /nfs/dbraw/zinc/11/94/86/1035119486.db2.gz UDYHZCRADGEGSS-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948941 1035119491 /nfs/dbraw/zinc/11/94/91/1035119491.db2.gz UDYHZCRADGEGSS-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948941 1035119496 /nfs/dbraw/zinc/11/94/96/1035119496.db2.gz UDYHZCRADGEGSS-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC23CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001232144940 1035121513 /nfs/dbraw/zinc/12/15/13/1035121513.db2.gz OVUYJXHWKHQFKE-UHFFFAOYSA-N 2 1 391.531 3.863 20 0 GHADMP O=C(C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCCC1 ZINC001208950848 1035121598 /nfs/dbraw/zinc/12/15/98/1035121598.db2.gz WUOAECYXVYADPB-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001232144899 1035121998 /nfs/dbraw/zinc/12/19/98/1035121998.db2.gz NMJISSFUCBQCCP-RTBURBONSA-N 2 1 391.531 3.576 20 0 GHADMP O=C1C[C@@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953165 1035124851 /nfs/dbraw/zinc/12/48/51/1035124851.db2.gz YTSOBUPXSJKHHZ-NFBKMPQASA-N 2 1 395.572 3.699 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953165 1035124855 /nfs/dbraw/zinc/12/48/55/1035124855.db2.gz YTSOBUPXSJKHHZ-NFBKMPQASA-N 2 1 395.572 3.699 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953165 1035124860 /nfs/dbraw/zinc/12/48/60/1035124860.db2.gz YTSOBUPXSJKHHZ-NFBKMPQASA-N 2 1 395.572 3.699 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952812 1035125263 /nfs/dbraw/zinc/12/52/63/1035125263.db2.gz MAYKCTNUSGHOBM-CMOCDZPBSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952812 1035125272 /nfs/dbraw/zinc/12/52/72/1035125272.db2.gz MAYKCTNUSGHOBM-CMOCDZPBSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952812 1035125276 /nfs/dbraw/zinc/12/52/76/1035125276.db2.gz MAYKCTNUSGHOBM-CMOCDZPBSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952812 1035125281 /nfs/dbraw/zinc/12/52/81/1035125281.db2.gz MAYKCTNUSGHOBM-CMOCDZPBSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208962178 1035133498 /nfs/dbraw/zinc/13/34/98/1035133498.db2.gz IFFSGDNMFUGUNH-YUMYIRISSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208962178 1035133503 /nfs/dbraw/zinc/13/35/03/1035133503.db2.gz IFFSGDNMFUGUNH-YUMYIRISSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208962178 1035133507 /nfs/dbraw/zinc/13/35/07/1035133507.db2.gz IFFSGDNMFUGUNH-YUMYIRISSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001208991737 1035140216 /nfs/dbraw/zinc/14/02/16/1035140216.db2.gz ZKRLBQYUGMYEQX-LJQANCHMSA-N 2 1 389.540 3.577 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC001209104127 1035174830 /nfs/dbraw/zinc/17/48/30/1035174830.db2.gz VQNKIOUQLWHKLA-UHFFFAOYSA-N 2 1 376.516 3.655 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC001209104127 1035174834 /nfs/dbraw/zinc/17/48/34/1035174834.db2.gz VQNKIOUQLWHKLA-UHFFFAOYSA-N 2 1 376.516 3.655 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(CCc4c(Cl)cccc4Cl)C[C@H]3C2)cn1 ZINC001209107250 1035175453 /nfs/dbraw/zinc/17/54/53/1035175453.db2.gz FZQVWDXNHYTBMO-IAGOWNOFSA-N 2 1 393.362 3.723 20 0 GHADMP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](CCN4CCOCC4)C3)CCC2)cc1 ZINC001209291009 1035232521 /nfs/dbraw/zinc/23/25/21/1035232521.db2.gz NSWJGJLYKFCJAP-UHFFFAOYSA-N 2 1 399.623 3.867 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209366435 1035256106 /nfs/dbraw/zinc/25/61/06/1035256106.db2.gz XNROCKDEIVDSJD-HSZRJFAPSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209366435 1035256110 /nfs/dbraw/zinc/25/61/10/1035256110.db2.gz XNROCKDEIVDSJD-HSZRJFAPSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209366435 1035256115 /nfs/dbraw/zinc/25/61/15/1035256115.db2.gz XNROCKDEIVDSJD-HSZRJFAPSA-N 2 1 387.568 3.889 20 0 GHADMP FC(F)(F)c1cccc(C2(CNc3nc(NC4CC4)cc[nH+]3)CC[NH2+]CC2)c1 ZINC001161576961 1035262760 /nfs/dbraw/zinc/26/27/60/1035262760.db2.gz DZQVEOXBOLJQOO-UHFFFAOYSA-N 2 1 391.441 3.803 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CC4C[C@@H](C)O[C@H](C)C4)CC3)C2)cc1 ZINC001209379337 1035263089 /nfs/dbraw/zinc/26/30/89/1035263089.db2.gz HPVUXANBRPBKFE-NHCUHLMSSA-N 2 1 386.580 3.865 20 0 GHADMP OC1(c2ccc(Br)cc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209449406 1035277458 /nfs/dbraw/zinc/27/74/58/1035277458.db2.gz IQPYYNINOJVXOH-UHFFFAOYSA-N 2 1 381.358 3.609 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2nc(-c3ccccc3F)nc3ccc(Cl)cc32)CC1 ZINC001161866907 1035318222 /nfs/dbraw/zinc/31/82/22/1035318222.db2.gz GIFRKXLYNRZWIT-UHFFFAOYSA-N 2 1 399.901 3.924 20 0 GHADMP Cc1cc(Cl)ncc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001209628163 1035336529 /nfs/dbraw/zinc/33/65/29/1035336529.db2.gz BLFXJRPLOKELAH-GOSISDBHSA-N 2 1 389.927 3.892 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(OC(F)(F)F)c2)no1 ZINC001248194647 1035624329 /nfs/dbraw/zinc/62/43/29/1035624329.db2.gz KWZHVDQCWUTAAA-LBPRGKRZSA-N 2 1 376.354 3.506 20 0 GHADMP [NH3+]Cc1ccc(Cc2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)cc1 ZINC001248229094 1035665792 /nfs/dbraw/zinc/66/57/92/1035665792.db2.gz JAYCOGMLDZOTRI-HXUWFJFHSA-N 2 1 389.434 3.657 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1 ZINC001241768062 1035687037 /nfs/dbraw/zinc/68/70/37/1035687037.db2.gz DREPCLBTBRXKSE-JOCHJYFZSA-N 2 1 380.536 3.587 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1 ZINC001241768022 1035687376 /nfs/dbraw/zinc/68/73/76/1035687376.db2.gz DCZQVYDUAPEQPM-HSZRJFAPSA-N 2 1 394.563 3.977 20 0 GHADMP Fc1ccc2occc2c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001248535457 1035941102 /nfs/dbraw/zinc/94/11/02/1035941102.db2.gz WDBJOEXHEWXGGG-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occc2c1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001248535457 1035941106 /nfs/dbraw/zinc/94/11/06/1035941106.db2.gz WDBJOEXHEWXGGG-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occc2c1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001248535457 1035941109 /nfs/dbraw/zinc/94/11/09/1035941109.db2.gz WDBJOEXHEWXGGG-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occc2c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001248535457 1035941119 /nfs/dbraw/zinc/94/11/19/1035941119.db2.gz WDBJOEXHEWXGGG-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Cc1cc(-c2noc([C@@H]([NH3+])CC3CC[NH2+]CC3)n2)cc(C)c1Br ZINC001248896072 1036227090 /nfs/dbraw/zinc/22/70/90/1036227090.db2.gz LJPLPYMEBLNRMR-AWEZNQCLSA-N 2 1 379.302 3.505 20 0 GHADMP COc1cc(Cl)cc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001278421651 1037068505 /nfs/dbraw/zinc/06/85/05/1037068505.db2.gz NTQAINAWYUOCGI-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1cc(Cl)cc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)c1 ZINC001278421651 1037068556 /nfs/dbraw/zinc/06/85/56/1037068556.db2.gz NTQAINAWYUOCGI-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246040060 1037155272 /nfs/dbraw/zinc/15/52/72/1037155272.db2.gz PXWMSQNIZIKMIE-ZWKOTPCHSA-N 2 1 389.273 3.634 20 0 GHADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246040060 1037155286 /nfs/dbraw/zinc/15/52/86/1037155286.db2.gz PXWMSQNIZIKMIE-ZWKOTPCHSA-N 2 1 389.273 3.634 20 0 GHADMP CSc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246053682 1037165872 /nfs/dbraw/zinc/16/58/72/1037165872.db2.gz UQHNREFLSKCRMV-SLFFLAALSA-N 2 1 392.515 3.755 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001246056111 1037170259 /nfs/dbraw/zinc/17/02/59/1037170259.db2.gz NOXOWVFMVXYYHG-VLCRHTCISA-N 2 1 385.458 3.514 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246066359 1037178818 /nfs/dbraw/zinc/17/88/18/1037178818.db2.gz YMKLWZPKRYTBAJ-XXBNENTESA-N 2 1 394.575 3.974 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246066359 1037178828 /nfs/dbraw/zinc/17/88/28/1037178828.db2.gz YMKLWZPKRYTBAJ-XXBNENTESA-N 2 1 394.575 3.974 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070472 1037186248 /nfs/dbraw/zinc/18/62/48/1037186248.db2.gz NYSLSDYWNFNQQV-XWGVYQGASA-N 2 1 385.596 3.528 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070472 1037186259 /nfs/dbraw/zinc/18/62/59/1037186259.db2.gz NYSLSDYWNFNQQV-XWGVYQGASA-N 3 1 385.596 3.528 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070472 1037186268 /nfs/dbraw/zinc/18/62/68/1037186268.db2.gz NYSLSDYWNFNQQV-XWGVYQGASA-N 3 1 385.596 3.528 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070472 1037186278 /nfs/dbraw/zinc/18/62/78/1037186278.db2.gz NYSLSDYWNFNQQV-XWGVYQGASA-N 3 1 385.596 3.528 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070472 1037186286 /nfs/dbraw/zinc/18/62/86/1037186286.db2.gz NYSLSDYWNFNQQV-XWGVYQGASA-N 3 1 385.596 3.528 20 0 GHADMP COc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246071319 1037186667 /nfs/dbraw/zinc/18/66/67/1037186667.db2.gz RXSHITOXLIITPD-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168728 1037221787 /nfs/dbraw/zinc/22/17/87/1037221787.db2.gz GIWWTRJVEIHPLY-ISJGIBHGSA-N 2 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168728 1037221808 /nfs/dbraw/zinc/22/18/08/1037221808.db2.gz GIWWTRJVEIHPLY-ISJGIBHGSA-N 3 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168728 1037221820 /nfs/dbraw/zinc/22/18/20/1037221820.db2.gz GIWWTRJVEIHPLY-ISJGIBHGSA-N 3 1 377.576 3.852 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246192007 1037232071 /nfs/dbraw/zinc/23/20/71/1037232071.db2.gz XTCVZSKFUDSQBU-KMRPREKFSA-N 2 1 377.576 3.992 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H](NC[C@H]4CC[NH2+]4)C[C@@H]23)cc1 ZINC001246199112 1037235595 /nfs/dbraw/zinc/23/55/95/1037235595.db2.gz IPOGWAJDFGSCTI-ZYQDXHPFSA-N 2 1 375.560 3.703 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246273139 1037268723 /nfs/dbraw/zinc/26/87/23/1037268723.db2.gz SJZPLGLWMDKEDQ-OPYAIIAOSA-N 2 1 376.903 3.774 20 0 GHADMP CCCC[C@@H]1C[C@H](NC2=C(C(=O)OCC)C[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246290447 1037279388 /nfs/dbraw/zinc/27/93/88/1037279388.db2.gz KYUNGPOSBYKJDG-NHCUHLMSSA-N 2 1 399.579 3.610 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246338800 1037302400 /nfs/dbraw/zinc/30/24/00/1037302400.db2.gz AQYDJEUTXQSRDV-NRFANRHFSA-N 2 1 397.950 3.813 20 0 GHADMP Clc1ccccc1CC1(C[NH2+]C2CCN(CC3CC3)CC2)CC[NH2+]CC1 ZINC001246371154 1037328993 /nfs/dbraw/zinc/32/89/93/1037328993.db2.gz LYBBYDNMRPUDBP-UHFFFAOYSA-N 2 1 375.988 3.716 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246372105 1037330488 /nfs/dbraw/zinc/33/04/88/1037330488.db2.gz CFCSOXCPZDFPMX-ZJSXRUAMSA-N 3 1 377.576 3.951 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246372105 1037330502 /nfs/dbraw/zinc/33/05/02/1037330502.db2.gz CFCSOXCPZDFPMX-ZJSXRUAMSA-N 3 1 377.576 3.951 20 0 GHADMP COc1ccccc1C1(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC001246378106 1037334488 /nfs/dbraw/zinc/33/44/88/1037334488.db2.gz VULGDBWPLODTDY-QFIPXVFZSA-N 2 1 393.575 3.918 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246442722 1037406378 /nfs/dbraw/zinc/40/63/78/1037406378.db2.gz PVBRMJCEGAZRLS-FHWLQOOXSA-N 3 1 380.374 3.663 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CCCC[NH2+]C2)CC1 ZINC001246442722 1037406395 /nfs/dbraw/zinc/40/63/95/1037406395.db2.gz PVBRMJCEGAZRLS-FHWLQOOXSA-N 3 1 380.374 3.663 20 0 GHADMP FC(F)(F)c1ccccc1C1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246454012 1037413072 /nfs/dbraw/zinc/41/30/72/1037413072.db2.gz ZJCNIKHWZUDAFF-VQIMIIECSA-N 2 1 381.486 3.796 20 0 GHADMP CC1([NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001246468540 1037421004 /nfs/dbraw/zinc/42/10/04/1037421004.db2.gz YPUPNCATLFFXQB-ZEQRLZLVSA-N 2 1 377.576 3.994 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1Br ZINC001246479034 1037426933 /nfs/dbraw/zinc/42/69/33/1037426933.db2.gz QNGWUUCMCPQCEV-QZTJIDSGSA-N 2 1 389.337 3.911 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246505374 1037445648 /nfs/dbraw/zinc/44/56/48/1037445648.db2.gz VHFBUJPYBWESEA-YFJHUXEUSA-N 2 1 377.576 3.850 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246505374 1037445681 /nfs/dbraw/zinc/44/56/81/1037445681.db2.gz VHFBUJPYBWESEA-YFJHUXEUSA-N 2 1 377.576 3.850 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246528759 1037462742 /nfs/dbraw/zinc/46/27/42/1037462742.db2.gz XVTBVSHIOCNIKV-YRISNDGFSA-N 2 1 384.495 3.874 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246590769 1037493955 /nfs/dbraw/zinc/49/39/55/1037493955.db2.gz IAQXGQGQWSLCDR-GRSYGWAWSA-N 2 1 383.580 3.768 20 0 GHADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4cc(Br)cnc34)C2)C1 ZINC001278459061 1037519392 /nfs/dbraw/zinc/51/93/92/1037519392.db2.gz REPDJHJQPQZFRQ-SFHVURJKSA-N 2 1 377.330 3.633 20 0 GHADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4cc(Br)cnc34)C2)C1 ZINC001278459061 1037519405 /nfs/dbraw/zinc/51/94/05/1037519405.db2.gz REPDJHJQPQZFRQ-SFHVURJKSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]c4cc(Br)cnc34)C2)C1 ZINC001278459061 1037519416 /nfs/dbraw/zinc/51/94/16/1037519416.db2.gz REPDJHJQPQZFRQ-SFHVURJKSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]c4cc(Br)cnc34)C2)C1 ZINC001278459061 1037519421 /nfs/dbraw/zinc/51/94/21/1037519421.db2.gz REPDJHJQPQZFRQ-SFHVURJKSA-N 2 1 377.330 3.633 20 0 GHADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001246644712 1037525941 /nfs/dbraw/zinc/52/59/41/1037525941.db2.gz IUGGLHTXFQIURP-DVECYGJZSA-N 2 1 382.548 3.872 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246662426 1037533850 /nfs/dbraw/zinc/53/38/50/1037533850.db2.gz IZIDUDXXSGLTKX-XSTDGIKWSA-N 2 1 375.560 3.999 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246672960 1037537628 /nfs/dbraw/zinc/53/76/28/1037537628.db2.gz IJTXPUUIHGFFEJ-POTDNYQPSA-N 2 1 389.587 3.946 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+]1CCC[C@]13C[NH2+]C[C@@H]3c1ccccc1)CC2 ZINC001246674952 1037539744 /nfs/dbraw/zinc/53/97/44/1037539744.db2.gz PGWKNANUCHGCJP-KJNGQBKQSA-N 2 1 382.548 3.720 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001462194306 1070071828 /nfs/dbraw/zinc/07/18/28/1070071828.db2.gz YFRDPIUFLIJQBG-BGYRXZFFSA-N 2 1 375.557 3.873 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001246686622 1037548137 /nfs/dbraw/zinc/54/81/37/1037548137.db2.gz SACZNRPHLPBCMP-DNVKUUNQSA-N 2 1 392.543 3.657 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)C[C@@H](CC)[NH2+]1 ZINC001246716730 1037570119 /nfs/dbraw/zinc/57/01/19/1037570119.db2.gz GQPRRBXGMHDMOP-RTBURBONSA-N 2 1 382.527 3.993 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CC[NH2+]1 ZINC001246724187 1037576069 /nfs/dbraw/zinc/57/60/69/1037576069.db2.gz USEGMPSFMHIKSI-QXUYBEEESA-N 2 1 375.601 3.943 20 0 GHADMP CC[C@@H]1[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727758 1037577290 /nfs/dbraw/zinc/57/72/90/1037577290.db2.gz WDYLTUNNVKCPDV-UGTOYMOASA-N 2 1 375.601 3.799 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)CC[NH2+]1 ZINC001246743947 1037585579 /nfs/dbraw/zinc/58/55/79/1037585579.db2.gz ZNBYXGKGBMJSLM-BHDDXSALSA-N 2 1 378.601 3.843 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766910 1037610473 /nfs/dbraw/zinc/61/04/73/1037610473.db2.gz OVIZDUFSCBTNLV-MOMULLCKSA-N 2 1 384.612 3.923 20 0 GHADMP CC[C@@H]1CC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766910 1037610481 /nfs/dbraw/zinc/61/04/81/1037610481.db2.gz OVIZDUFSCBTNLV-MOMULLCKSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766910 1037610488 /nfs/dbraw/zinc/61/04/88/1037610488.db2.gz OVIZDUFSCBTNLV-MOMULLCKSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1CC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766910 1037610493 /nfs/dbraw/zinc/61/04/93/1037610493.db2.gz OVIZDUFSCBTNLV-MOMULLCKSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1CC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766910 1037610499 /nfs/dbraw/zinc/61/04/99/1037610499.db2.gz OVIZDUFSCBTNLV-MOMULLCKSA-N 3 1 384.612 3.923 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770507 1037612999 /nfs/dbraw/zinc/61/29/99/1037612999.db2.gz ZBSMKVVIMGIQMO-ZFWLDESHSA-N 2 1 396.623 3.926 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770507 1037613007 /nfs/dbraw/zinc/61/30/07/1037613007.db2.gz ZBSMKVVIMGIQMO-ZFWLDESHSA-N 3 1 396.623 3.926 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770507 1037613015 /nfs/dbraw/zinc/61/30/15/1037613015.db2.gz ZBSMKVVIMGIQMO-ZFWLDESHSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770507 1037613025 /nfs/dbraw/zinc/61/30/25/1037613025.db2.gz ZBSMKVVIMGIQMO-ZFWLDESHSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770507 1037613038 /nfs/dbraw/zinc/61/30/38/1037613038.db2.gz ZBSMKVVIMGIQMO-ZFWLDESHSA-N 3 1 396.623 3.926 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC001246806742 1037639958 /nfs/dbraw/zinc/63/99/58/1037639958.db2.gz HZISYLHZDDEGSG-FYYLOGMGSA-N 2 1 379.523 3.888 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC001246806742 1037639971 /nfs/dbraw/zinc/63/99/71/1037639971.db2.gz HZISYLHZDDEGSG-FYYLOGMGSA-N 2 1 379.523 3.888 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246820562 1037652201 /nfs/dbraw/zinc/65/22/01/1037652201.db2.gz WMUBBHODXFJJLL-APWZRJJASA-N 2 1 382.474 3.535 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCO1 ZINC001246823327 1037655215 /nfs/dbraw/zinc/65/52/15/1037655215.db2.gz FTMFZTKFJCLQNR-STEQJIOHSA-N 3 1 393.575 3.660 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCO1 ZINC001246823327 1037655223 /nfs/dbraw/zinc/65/52/23/1037655223.db2.gz FTMFZTKFJCLQNR-STEQJIOHSA-N 3 1 393.575 3.660 20 0 GHADMP c1ccc(C[C@H]2C[C@@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)CC[NH2+]2)cc1 ZINC001246848638 1037673717 /nfs/dbraw/zinc/67/37/17/1037673717.db2.gz ZBJOKEZQHMHGKA-AHWVRZQESA-N 2 1 389.587 3.872 20 0 GHADMP Cc1cccc(N2CCC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853306 1037676538 /nfs/dbraw/zinc/67/65/38/1037676538.db2.gz UUGGUPWBKWPICW-UNMCSNQZSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853306 1037676544 /nfs/dbraw/zinc/67/65/44/1037676544.db2.gz UUGGUPWBKWPICW-UNMCSNQZSA-N 2 1 382.527 3.843 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CSC3(C[NH2+]C3)C2)c(OC)c1 ZINC001246866790 1037685461 /nfs/dbraw/zinc/68/54/61/1037685461.db2.gz DTQFEAPAWLPJPC-LJQANCHMSA-N 2 1 384.545 3.554 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246871869 1037688541 /nfs/dbraw/zinc/68/85/41/1037688541.db2.gz NZHYHDFBOJAKCA-RDPSFJRHSA-N 2 1 377.576 3.952 20 0 GHADMP CCCC[N@@H+]([C@H](C)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246877512 1037690871 /nfs/dbraw/zinc/69/08/71/1037690871.db2.gz OVZDSARBVLRLSX-VQIMIIECSA-N 2 1 383.502 3.833 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H](N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246925056 1037730552 /nfs/dbraw/zinc/73/05/52/1037730552.db2.gz LHJSINMYSYMCMY-HKUYNNGSSA-N 2 1 399.501 3.870 20 0 GHADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCC2(CCCCC2)C1 ZINC001246940396 1037746090 /nfs/dbraw/zinc/74/60/90/1037746090.db2.gz CUMPPPZOCASGHV-QHCPKHFHSA-N 2 1 391.644 3.903 20 0 GHADMP C[C@H]1C[C@H](N(Cc2ccccn2)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246952465 1037754958 /nfs/dbraw/zinc/75/49/58/1037754958.db2.gz STYFSJYQSOEHFW-ZTCOLXNVSA-N 2 1 378.564 3.689 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccccc2F)C2CC[NH2+]CC2)c1 ZINC001246960453 1037780966 /nfs/dbraw/zinc/78/09/66/1037780966.db2.gz VSEOUPCWIVMJOQ-KRWDZBQOSA-N 2 1 384.495 3.798 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001246960056 1037781212 /nfs/dbraw/zinc/78/12/12/1037781212.db2.gz LPCQDRMBDXXOKT-UHFFFAOYSA-N 3 1 389.559 3.701 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCN[C@H](c3ccc(F)cc3C)C2)C[C@H]1c1ccccc1 ZINC001246982219 1037805445 /nfs/dbraw/zinc/80/54/45/1037805445.db2.gz AZPSAAMNUHZPGP-PNJWGLBASA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@H]1c1ccccc1 ZINC001246982219 1037805469 /nfs/dbraw/zinc/80/54/69/1037805469.db2.gz AZPSAAMNUHZPGP-PNJWGLBASA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@H]1c1ccccc1 ZINC001246982219 1037805497 /nfs/dbraw/zinc/80/54/97/1037805497.db2.gz AZPSAAMNUHZPGP-PNJWGLBASA-N 2 1 396.506 3.816 20 0 GHADMP CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@H]1C ZINC001246985027 1037809954 /nfs/dbraw/zinc/80/99/54/1037809954.db2.gz AUWFZMRKGHXRAU-FKPGQJDZSA-N 2 1 376.516 3.838 20 0 GHADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@H]1C ZINC001246985027 1037809958 /nfs/dbraw/zinc/80/99/58/1037809958.db2.gz AUWFZMRKGHXRAU-FKPGQJDZSA-N 2 1 376.516 3.838 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246993092 1037817222 /nfs/dbraw/zinc/81/72/22/1037817222.db2.gz KFXVFISRKKRWDT-ZFMISHDWSA-N 2 1 379.523 3.995 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+]([C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC001246996239 1037822172 /nfs/dbraw/zinc/82/21/72/1037822172.db2.gz RIGIGQQHUBOJRV-HSZRJFAPSA-N 2 1 375.560 3.926 20 0 GHADMP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CCN([C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC001246996239 1037822196 /nfs/dbraw/zinc/82/21/96/1037822196.db2.gz RIGIGQQHUBOJRV-HSZRJFAPSA-N 2 1 375.560 3.926 20 0 GHADMP C[C@H]1C[C@H](N2CCC3(CC2)[NH2+]CCc2ccccc23)C[N@H+]1Cc1ccccc1 ZINC001247001979 1037826024 /nfs/dbraw/zinc/82/60/24/1037826024.db2.gz KEDBWJYWVNJWSQ-REWPJTCUSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001247009718 1037832020 /nfs/dbraw/zinc/83/20/20/1037832020.db2.gz LKRLFFLBYMEQQQ-KCUHQSDYSA-N 2 1 392.385 3.801 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccc4nc([C@@H]5CCCC[NH2+]5)[nH]c4c3)CC2)cc1 ZINC001247009878 1037834994 /nfs/dbraw/zinc/83/49/94/1037834994.db2.gz CXFAXDWUDCWPEB-NRFANRHFSA-N 2 1 375.520 3.700 20 0 GHADMP COc1cncc(OC)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001232503922 1038276411 /nfs/dbraw/zinc/27/64/11/1038276411.db2.gz KKXGUKFQGWIKEK-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP CC(C)(C)c1cc(Br)ccc1-c1noc([C@@H]([NH3+])CCCC[NH3+])n1 ZINC001247693727 1038332127 /nfs/dbraw/zinc/33/21/27/1038332127.db2.gz TUFXQIOMXWIHJZ-AWEZNQCLSA-N 2 1 381.318 3.925 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4ncncc34)C[C@@H]21 ZINC001232656259 1038444339 /nfs/dbraw/zinc/44/43/39/1038444339.db2.gz ZGKRQDKUCCKLTA-RYGJVYDSSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4ncncc34)C[C@@H]21 ZINC001232656259 1038444347 /nfs/dbraw/zinc/44/43/47/1038444347.db2.gz ZGKRQDKUCCKLTA-RYGJVYDSSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4ncncc34)C[C@@H]21 ZINC001232656259 1038444350 /nfs/dbraw/zinc/44/43/50/1038444350.db2.gz ZGKRQDKUCCKLTA-RYGJVYDSSA-N 2 1 381.549 3.704 20 0 GHADMP Clc1ccnc2cccc(-c3noc([C@@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)c12 ZINC001247906314 1038478195 /nfs/dbraw/zinc/47/81/95/1038478195.db2.gz VEWFSIAYOSOSKB-CQSZACIVSA-N 2 1 397.910 3.870 20 0 GHADMP COc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c2ccccc12 ZINC001247909125 1038481808 /nfs/dbraw/zinc/48/18/08/1038481808.db2.gz FSNDRBOWCZVYPU-UHFFFAOYSA-N 2 1 392.503 3.830 20 0 GHADMP CC(C)(C)Oc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1 ZINC001247908715 1038481893 /nfs/dbraw/zinc/48/18/93/1038481893.db2.gz AZGOHDHMZVQALL-UHFFFAOYSA-N 2 1 384.524 3.845 20 0 GHADMP Cc1cc(O)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232879916 1038651122 /nfs/dbraw/zinc/65/11/22/1038651122.db2.gz FKIXINYHYIAPSU-QFIPXVFZSA-N 2 1 380.532 3.956 20 0 GHADMP C[N@H+](Cc1cc(Br)c[nH]c1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233188260 1038957492 /nfs/dbraw/zinc/95/74/92/1038957492.db2.gz JMPQKEPXZZTDBF-MRXNPFEDSA-N 2 1 390.325 3.504 20 0 GHADMP C[NH+](Cc1cc(Br)c[nH]c1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233188260 1038957500 /nfs/dbraw/zinc/95/75/00/1038957500.db2.gz JMPQKEPXZZTDBF-MRXNPFEDSA-N 2 1 390.325 3.504 20 0 GHADMP C[NH+](Cc1cc(Br)c[nH]c1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233188260 1038957506 /nfs/dbraw/zinc/95/75/06/1038957506.db2.gz JMPQKEPXZZTDBF-MRXNPFEDSA-N 2 1 390.325 3.504 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CCN(Cc1ccc(-c3cccc(C)c3)cc1)CC2 ZINC001233222141 1038982272 /nfs/dbraw/zinc/98/22/72/1038982272.db2.gz IQKVKHVCUCFXMC-UHFFFAOYSA-N 2 1 391.559 3.838 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC001252411395 1038989774 /nfs/dbraw/zinc/98/97/74/1038989774.db2.gz VBSDWGZYJWBZJO-ZRBLBEILSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC001252411395 1038989775 /nfs/dbraw/zinc/98/97/75/1038989775.db2.gz VBSDWGZYJWBZJO-ZRBLBEILSA-N 2 1 398.595 3.555 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cnn3ccccc13)CC2 ZINC001233237586 1038997213 /nfs/dbraw/zinc/99/72/13/1038997213.db2.gz UFWQBYHVHKUBIS-LJQANCHMSA-N 2 1 396.560 3.651 20 0 GHADMP COc1c(O)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001233256621 1039024133 /nfs/dbraw/zinc/02/41/33/1039024133.db2.gz LVINBKDCEJOSNQ-DZFGPLHGSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001233256621 1039024150 /nfs/dbraw/zinc/02/41/50/1039024150.db2.gz LVINBKDCEJOSNQ-DZFGPLHGSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001233256621 1039024167 /nfs/dbraw/zinc/02/41/67/1039024167.db2.gz LVINBKDCEJOSNQ-DZFGPLHGSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001233256621 1039024178 /nfs/dbraw/zinc/02/41/78/1039024178.db2.gz LVINBKDCEJOSNQ-DZFGPLHGSA-N 2 1 381.520 3.528 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001233299421 1039091360 /nfs/dbraw/zinc/09/13/60/1039091360.db2.gz YPSQUVMALIANCL-CJZRDCOESA-N 2 1 390.527 3.971 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001233299421 1039091378 /nfs/dbraw/zinc/09/13/78/1039091378.db2.gz YPSQUVMALIANCL-CJZRDCOESA-N 2 1 390.527 3.971 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001233299421 1039091397 /nfs/dbraw/zinc/09/13/97/1039091397.db2.gz YPSQUVMALIANCL-CJZRDCOESA-N 2 1 390.527 3.971 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001233300010 1039093748 /nfs/dbraw/zinc/09/37/48/1039093748.db2.gz XSJCPKPRRAFUFH-ZIXMJRCYSA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001233300010 1039093767 /nfs/dbraw/zinc/09/37/67/1039093767.db2.gz XSJCPKPRRAFUFH-ZIXMJRCYSA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001233300010 1039093792 /nfs/dbraw/zinc/09/37/92/1039093792.db2.gz XSJCPKPRRAFUFH-ZIXMJRCYSA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001233300007 1039094722 /nfs/dbraw/zinc/09/47/22/1039094722.db2.gz XSJCPKPRRAFUFH-CFHGVRTOSA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001233300007 1039094738 /nfs/dbraw/zinc/09/47/38/1039094738.db2.gz XSJCPKPRRAFUFH-CFHGVRTOSA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001233300007 1039094744 /nfs/dbraw/zinc/09/47/44/1039094744.db2.gz XSJCPKPRRAFUFH-CFHGVRTOSA-N 2 1 390.527 3.827 20 0 GHADMP O[C@]1(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001252932500 1039270189 /nfs/dbraw/zinc/27/01/89/1039270189.db2.gz STWGQSNULPRDFB-UPVQGACJSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001252932500 1039270200 /nfs/dbraw/zinc/27/02/00/1039270200.db2.gz STWGQSNULPRDFB-UPVQGACJSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252932500 1039270216 /nfs/dbraw/zinc/27/02/16/1039270216.db2.gz STWGQSNULPRDFB-UPVQGACJSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@@H](Cc3ccc(F)cc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252932500 1039270231 /nfs/dbraw/zinc/27/02/31/1039270231.db2.gz STWGQSNULPRDFB-UPVQGACJSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[NH2+]CCCc2cccc(C(F)(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001252945771 1039289519 /nfs/dbraw/zinc/28/95/19/1039289519.db2.gz HXOLCRWWDIRLIL-NRFANRHFSA-N 2 1 392.465 3.865 20 0 GHADMP O[C@]1(C[NH2+]CCCc2cccc(C(F)(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945771 1039289533 /nfs/dbraw/zinc/28/95/33/1039289533.db2.gz HXOLCRWWDIRLIL-NRFANRHFSA-N 2 1 392.465 3.865 20 0 GHADMP O[C@]1(C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948020 1039291191 /nfs/dbraw/zinc/29/11/91/1039291191.db2.gz IFNUOMCLYLDLIH-ZEQRLZLVSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948020 1039291195 /nfs/dbraw/zinc/29/11/95/1039291195.db2.gz IFNUOMCLYLDLIH-ZEQRLZLVSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@H](CCOCc1ccccc1)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001253288467 1039536798 /nfs/dbraw/zinc/53/67/98/1039536798.db2.gz XIWWHULVFAATEO-ZFFYZDHPSA-N 2 1 394.559 3.739 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC001253394140 1039596899 /nfs/dbraw/zinc/59/68/99/1039596899.db2.gz AKZLMSVWZXRHEI-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC001253394140 1039596913 /nfs/dbraw/zinc/59/69/13/1039596913.db2.gz AKZLMSVWZXRHEI-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC001253394140 1039596924 /nfs/dbraw/zinc/59/69/24/1039596924.db2.gz AKZLMSVWZXRHEI-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP CCCCC[C@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001253528645 1039691129 /nfs/dbraw/zinc/69/11/29/1039691129.db2.gz PENDQBDSRBDIEX-MOPGFXCFSA-N 2 1 380.598 3.745 20 0 GHADMP COc1cc(CN2CC[C@H](Oc3cc(F)ccc3F)C2)ccc1-n1ccnc1 ZINC001234057372 1039790176 /nfs/dbraw/zinc/79/01/76/1039790176.db2.gz AFNRFNTUJBXESP-KRWDZBQOSA-N 2 1 385.414 3.812 20 0 GHADMP CN(C)c1ccnc(Cl)c1CN1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001234120300 1039860142 /nfs/dbraw/zinc/86/01/42/1039860142.db2.gz GEMIJGZLMSNUBN-UHFFFAOYSA-N 2 1 388.943 3.882 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001234120300 1039860165 /nfs/dbraw/zinc/86/01/65/1039860165.db2.gz GEMIJGZLMSNUBN-UHFFFAOYSA-N 2 1 388.943 3.882 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001234120300 1039860194 /nfs/dbraw/zinc/86/01/94/1039860194.db2.gz GEMIJGZLMSNUBN-UHFFFAOYSA-N 2 1 388.943 3.882 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)nc3Cl)cc2)C1 ZINC001462418084 1070239111 /nfs/dbraw/zinc/23/91/11/1070239111.db2.gz LCIQQTAUKUMJGT-INIZCTEOSA-N 2 1 399.844 3.610 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)nc3Cl)cc2)C1 ZINC001462418084 1070239120 /nfs/dbraw/zinc/23/91/20/1070239120.db2.gz LCIQQTAUKUMJGT-INIZCTEOSA-N 2 1 399.844 3.610 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001254041303 1039970083 /nfs/dbraw/zinc/97/00/83/1039970083.db2.gz AZHYSDGXBSNPLF-UHFFFAOYSA-N 2 1 376.504 3.620 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)CC1 ZINC001254118640 1039996640 /nfs/dbraw/zinc/99/66/40/1039996640.db2.gz RPKWASBOLVSFLM-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001254118640 1039996643 /nfs/dbraw/zinc/99/66/43/1039996643.db2.gz RPKWASBOLVSFLM-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001254118640 1039996647 /nfs/dbraw/zinc/99/66/47/1039996647.db2.gz RPKWASBOLVSFLM-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001254369854 1040197116 /nfs/dbraw/zinc/19/71/16/1040197116.db2.gz VYEUJQVJQTYBTG-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC001254421002 1040221381 /nfs/dbraw/zinc/22/13/81/1040221381.db2.gz WSLMXRBLXGHPDD-JWQCQUIFSA-N 2 1 391.559 3.645 20 0 GHADMP CCC[C@H](CCc1ccccc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001254492481 1040276072 /nfs/dbraw/zinc/27/60/72/1040276072.db2.gz UXMBQSKJPIJDCJ-AQNXPRMDSA-N 2 1 375.557 3.714 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234970926 1040473624 /nfs/dbraw/zinc/47/36/24/1040473624.db2.gz LSSYCDSCHZBLOU-UYAOXDASSA-N 2 1 376.422 3.793 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234970926 1040473633 /nfs/dbraw/zinc/47/36/33/1040473633.db2.gz LSSYCDSCHZBLOU-UYAOXDASSA-N 2 1 376.422 3.793 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCCNc2ccc(C)c[nH+]2)[NH+]2CCCC2)cc1 ZINC001234994909 1040490382 /nfs/dbraw/zinc/49/03/82/1040490382.db2.gz NEJPOUWKKOICIO-NRFANRHFSA-N 2 1 395.551 3.637 20 0 GHADMP Cc1nnc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cc2)o1 ZINC001235065549 1040555646 /nfs/dbraw/zinc/55/56/46/1040555646.db2.gz KGFVYVQDIICSBR-PKTZIBPZSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2)o1 ZINC001235065549 1040555664 /nfs/dbraw/zinc/55/56/64/1040555664.db2.gz KGFVYVQDIICSBR-PKTZIBPZSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2)o1 ZINC001235065549 1040555672 /nfs/dbraw/zinc/55/56/72/1040555672.db2.gz KGFVYVQDIICSBR-PKTZIBPZSA-N 2 1 388.515 3.999 20 0 GHADMP Brc1ccc2c(c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)OCO2 ZINC001235159789 1040653421 /nfs/dbraw/zinc/65/34/21/1040653421.db2.gz OOMHXXOCYDQYJJ-INIZCTEOSA-N 2 1 381.314 3.532 20 0 GHADMP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](C[C@H]4CNCCO4)C3)CCC2)cc1 ZINC001235174276 1040665901 /nfs/dbraw/zinc/66/59/01/1040665901.db2.gz GRWFYVHKOYEUCB-HSZRJFAPSA-N 2 1 385.596 3.523 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972631 1040700244 /nfs/dbraw/zinc/70/02/44/1040700244.db2.gz VHPHWYUQQSQNBU-WJMWBRGCSA-N 2 1 387.568 3.871 20 0 GHADMP [NH3+]CCc1cn(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)c2ccccc12 ZINC001254988277 1040709708 /nfs/dbraw/zinc/70/97/08/1040709708.db2.gz BPDFQZJLKHKRFW-FRIKZZABSA-N 2 1 375.516 3.747 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230631 1040711201 /nfs/dbraw/zinc/71/12/01/1040711201.db2.gz VIEUBBUCJGNCLO-KRWDZBQOSA-N 2 1 391.357 3.690 20 0 GHADMP COc1c(Br)ccc(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230233 1040711255 /nfs/dbraw/zinc/71/12/55/1040711255.db2.gz TYYXOKHNAKZGCD-QGZVFWFLSA-N 2 1 385.321 3.951 20 0 GHADMP O[C@H]1C[C@@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068711 1040762365 /nfs/dbraw/zinc/76/23/65/1040762365.db2.gz BNYDPFJFXSPEFL-UBCNIHEASA-N 2 1 376.544 3.864 20 0 GHADMP NCc1ncn([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001255070671 1040764641 /nfs/dbraw/zinc/76/46/41/1040764641.db2.gz YDHUSJBKJZOTAY-WMTXJRDZSA-N 2 1 387.531 3.674 20 0 GHADMP [NH3+]Cc1ncn([C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001255070671 1040764657 /nfs/dbraw/zinc/76/46/57/1040764657.db2.gz YDHUSJBKJZOTAY-WMTXJRDZSA-N 2 1 387.531 3.674 20 0 GHADMP [NH3+]Cc1ncn([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001255070671 1040764673 /nfs/dbraw/zinc/76/46/73/1040764673.db2.gz YDHUSJBKJZOTAY-WMTXJRDZSA-N 2 1 387.531 3.674 20 0 GHADMP c1ccc(C[NH+]2CC3(C2)CCCN([C@@H]2CC[N@@H+](Cc4ccccc4)C2)C3)cc1 ZINC001255120789 1040810152 /nfs/dbraw/zinc/81/01/52/1040810152.db2.gz SCKXDGPRPDZUNM-XMMPIXPASA-N 2 1 375.560 3.859 20 0 GHADMP Fc1c(Br)cc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342537 1040814752 /nfs/dbraw/zinc/81/47/52/1040814752.db2.gz XGKKSDNFLYMIKX-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP Fc1c(Br)cc(C(F)(F)F)cc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342537 1040814773 /nfs/dbraw/zinc/81/47/73/1040814773.db2.gz XGKKSDNFLYMIKX-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]1CC[NH2+]CC2 ZINC001235348023 1040822535 /nfs/dbraw/zinc/82/25/35/1040822535.db2.gz CMNHXHVKXOVNCY-DHLKQENFSA-N 2 1 392.543 3.683 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130546 1040825259 /nfs/dbraw/zinc/82/52/59/1040825259.db2.gz VRMBDCCKFFUJSN-VHXCZSFDSA-N 2 1 391.559 3.677 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1OC(C)=O ZINC001235351034 1040825524 /nfs/dbraw/zinc/82/55/24/1040825524.db2.gz NGTDSIVCVNFKJX-ZJSXRUAMSA-N 2 1 394.515 3.590 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1OC(C)=O ZINC001235351034 1040825536 /nfs/dbraw/zinc/82/55/36/1040825536.db2.gz NGTDSIVCVNFKJX-ZJSXRUAMSA-N 2 1 394.515 3.590 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(C)c(Cl)cc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235350212 1040826121 /nfs/dbraw/zinc/82/61/21/1040826121.db2.gz WQOGVJBHYYLLRV-KXBFYZLASA-N 2 1 385.335 3.667 20 0 GHADMP O=C1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](c2ccccc2)N1 ZINC001255129945 1040826426 /nfs/dbraw/zinc/82/64/26/1040826426.db2.gz NYDORAXABUOVCF-NKGRKIGWSA-N 2 1 389.543 3.792 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(O)cc1 ZINC001255131272 1040828667 /nfs/dbraw/zinc/82/86/67/1040828667.db2.gz ZGVNJJSKMFQAMC-KGSLCBSSSA-N 2 1 394.515 3.782 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(O)cc1 ZINC001255131272 1040828686 /nfs/dbraw/zinc/82/86/86/1040828686.db2.gz ZGVNJJSKMFQAMC-KGSLCBSSSA-N 2 1 394.515 3.782 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2(c4ccncc4)CCOCC2)C3)cc1 ZINC001255132020 1040829269 /nfs/dbraw/zinc/82/92/69/1040829269.db2.gz HSLYGHDQYXOSSL-BKFWDETESA-N 2 1 391.559 3.915 20 0 GHADMP O=C(C1CCC1)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255133012 1040831704 /nfs/dbraw/zinc/83/17/04/1040831704.db2.gz XWMCBWTVGQZNPI-BKFWDETESA-N 2 1 395.591 3.810 20 0 GHADMP COCc1cccc([C@H](CO)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255134344 1040834200 /nfs/dbraw/zinc/83/42/00/1040834200.db2.gz BBHWIGHLYSGJCK-KIHHCIJBSA-N 2 1 380.532 3.652 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255134344 1040834210 /nfs/dbraw/zinc/83/42/10/1040834210.db2.gz BBHWIGHLYSGJCK-KIHHCIJBSA-N 2 1 380.532 3.652 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@H]21 ZINC001255138830 1040843903 /nfs/dbraw/zinc/84/39/03/1040843903.db2.gz HPZGPKSZSKOSJR-GNADVCDUSA-N 2 1 395.591 3.761 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@H]21 ZINC001255138830 1040843914 /nfs/dbraw/zinc/84/39/14/1040843914.db2.gz HPZGPKSZSKOSJR-GNADVCDUSA-N 2 1 395.591 3.761 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@H]21 ZINC001255138830 1040843931 /nfs/dbraw/zinc/84/39/31/1040843931.db2.gz HPZGPKSZSKOSJR-GNADVCDUSA-N 2 1 395.591 3.761 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C[C@H]2CCCC[C@@H]12 ZINC001235364195 1040852068 /nfs/dbraw/zinc/85/20/68/1040852068.db2.gz WDVWQNYRBQOZEK-UZKOGDIHSA-N 2 1 395.547 3.546 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255144186 1040854043 /nfs/dbraw/zinc/85/40/43/1040854043.db2.gz MUKJSKFJSOSSSN-RCTAOEEJSA-N 2 1 397.607 3.757 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255144186 1040854057 /nfs/dbraw/zinc/85/40/57/1040854057.db2.gz MUKJSKFJSOSSSN-RCTAOEEJSA-N 2 1 397.607 3.757 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255144186 1040854068 /nfs/dbraw/zinc/85/40/68/1040854068.db2.gz MUKJSKFJSOSSSN-RCTAOEEJSA-N 2 1 397.607 3.757 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365591 1040855444 /nfs/dbraw/zinc/85/54/44/1040855444.db2.gz ONIZDRMCBYIBMT-UPVQGACJSA-N 2 1 379.548 3.665 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCc4ncnc(C5CC5)c4CC2)C3)cc1 ZINC001255144411 1040856718 /nfs/dbraw/zinc/85/67/18/1040856718.db2.gz SGUWLZGKQLKHGB-KOUNCHBCSA-N 2 1 388.559 3.950 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCc4ncnc(C5CC5)c4CC2)C3)cc1 ZINC001255144411 1040856732 /nfs/dbraw/zinc/85/67/32/1040856732.db2.gz SGUWLZGKQLKHGB-KOUNCHBCSA-N 2 1 388.559 3.950 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235367366 1040861709 /nfs/dbraw/zinc/86/17/09/1040861709.db2.gz GGEARHDSUHMMRM-UPVQGACJSA-N 2 1 378.516 3.617 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(C(F)(F)F)c1 ZINC001235369132 1040870887 /nfs/dbraw/zinc/87/08/87/1040870887.db2.gz QNFZRJGIUVVCAV-SQWLQELKSA-N 2 1 394.359 3.677 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3cc(Br)ccc3n1)C2 ZINC001235401954 1040915544 /nfs/dbraw/zinc/91/55/44/1040915544.db2.gz IGHMZNXKNZWKAJ-ZWKOTPCHSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3cc(Br)ccc3n1)C2 ZINC001235401954 1040915548 /nfs/dbraw/zinc/91/55/48/1040915548.db2.gz IGHMZNXKNZWKAJ-ZWKOTPCHSA-N 2 1 378.289 3.521 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)cc2)cc1 ZINC001235409904 1040919869 /nfs/dbraw/zinc/91/98/69/1040919869.db2.gz XRQGSJXOARNFOB-PKTZIBPZSA-N 2 1 383.511 3.987 20 0 GHADMP CCOC(=O)C1CCC([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001255253387 1040928395 /nfs/dbraw/zinc/92/83/95/1040928395.db2.gz KVJAEEQPOYZDLN-BHVFFGTLSA-N 2 1 390.527 3.685 20 0 GHADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430920 1040932376 /nfs/dbraw/zinc/93/23/76/1040932376.db2.gz YNAAXIVFTLGHKY-MSOLQXFVSA-N 2 1 383.536 3.865 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432863 1040933163 /nfs/dbraw/zinc/93/31/63/1040933163.db2.gz WSVXBWSTTOGUIT-RDJZCZTQSA-N 2 1 398.332 3.811 20 0 GHADMP Cc1c(Br)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1Br ZINC001235464210 1040949353 /nfs/dbraw/zinc/94/93/53/1040949353.db2.gz APQZCVCRRYITIO-UHFFFAOYSA-N 2 1 376.136 3.704 20 0 GHADMP Cc1c(Br)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1Br ZINC001235464210 1040949358 /nfs/dbraw/zinc/94/93/58/1040949358.db2.gz APQZCVCRRYITIO-UHFFFAOYSA-N 2 1 376.136 3.704 20 0 GHADMP Clc1ccc(N2CCC([NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nn1 ZINC001255380680 1040971982 /nfs/dbraw/zinc/97/19/82/1040971982.db2.gz MCGOFJCOFBRPBP-IBGZPJMESA-N 2 1 399.970 3.743 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@H]2CC[N@@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235519642 1040973651 /nfs/dbraw/zinc/97/36/51/1040973651.db2.gz MTSAPDNXIKMZMJ-JTHBVZDNSA-N 2 1 387.568 3.644 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235519642 1040973653 /nfs/dbraw/zinc/97/36/53/1040973653.db2.gz MTSAPDNXIKMZMJ-JTHBVZDNSA-N 2 1 387.568 3.644 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc4c(s2)CC[NH2+]C4)CC3)c1 ZINC001235524670 1040975272 /nfs/dbraw/zinc/97/52/72/1040975272.db2.gz CYLAHJXTHBQNHF-UHFFFAOYSA-N 3 1 387.618 3.943 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001255388737 1040977450 /nfs/dbraw/zinc/97/74/50/1040977450.db2.gz GZEQMSGNBNTTEE-RBBKRZOGSA-N 2 1 382.504 3.641 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001255388737 1040977452 /nfs/dbraw/zinc/97/74/52/1040977452.db2.gz GZEQMSGNBNTTEE-RBBKRZOGSA-N 2 1 382.504 3.641 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255389649 1040978547 /nfs/dbraw/zinc/97/85/47/1040978547.db2.gz OVXKNCWFXNRPGS-NRFANRHFSA-N 2 1 386.561 3.625 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255389649 1040978548 /nfs/dbraw/zinc/97/85/48/1040978548.db2.gz OVXKNCWFXNRPGS-NRFANRHFSA-N 2 1 386.561 3.625 20 0 GHADMP CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389828 1040978590 /nfs/dbraw/zinc/97/85/90/1040978590.db2.gz UIFQZUNJYMEXCS-PMACEKPBSA-N 2 1 375.557 3.934 20 0 GHADMP CC1(COc2ccc(C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)CC3)cn2)COC1 ZINC001255392628 1040980329 /nfs/dbraw/zinc/98/03/29/1040980329.db2.gz JXTBTQFSILJSIN-JOCHJYFZSA-N 2 1 395.547 3.641 20 0 GHADMP CC1(COc2ccc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)cn2)COC1 ZINC001255392628 1040980338 /nfs/dbraw/zinc/98/03/38/1040980338.db2.gz JXTBTQFSILJSIN-JOCHJYFZSA-N 2 1 395.547 3.641 20 0 GHADMP O=C(C1CCCC1)N1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255393205 1040981224 /nfs/dbraw/zinc/98/12/24/1040981224.db2.gz MJRQBVPUVUJRLP-JOCHJYFZSA-N 2 1 383.580 3.812 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CO2 ZINC001255392914 1040981512 /nfs/dbraw/zinc/98/15/12/1040981512.db2.gz MWMDGTBTTOFBAM-UNMCSNQZSA-N 2 1 380.532 3.891 20 0 GHADMP CCc1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc(CC)c1O ZINC001235557109 1040985799 /nfs/dbraw/zinc/98/57/99/1040985799.db2.gz IPKFGTUDPKJKOT-UHFFFAOYSA-N 2 1 382.552 3.762 20 0 GHADMP CCc1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc(CC)c1O ZINC001235557109 1040985810 /nfs/dbraw/zinc/98/58/10/1040985810.db2.gz IPKFGTUDPKJKOT-UHFFFAOYSA-N 2 1 382.552 3.762 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400724 1040986540 /nfs/dbraw/zinc/98/65/40/1040986540.db2.gz NEXYGAQDIBUROC-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400724 1040986541 /nfs/dbraw/zinc/98/65/41/1040986541.db2.gz NEXYGAQDIBUROC-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400724 1040986544 /nfs/dbraw/zinc/98/65/44/1040986544.db2.gz NEXYGAQDIBUROC-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP C[N@@H+](Cc1c(Cl)cccc1I)CC1CC[NH+](C)CC1 ZINC001235570274 1040993069 /nfs/dbraw/zinc/99/30/69/1040993069.db2.gz TYUQFUJXKYSQDY-UHFFFAOYSA-N 2 1 392.712 3.718 20 0 GHADMP C[N@H+](Cc1c(Cl)cccc1I)CC1CC[NH+](C)CC1 ZINC001235570274 1040993076 /nfs/dbraw/zinc/99/30/76/1040993076.db2.gz TYUQFUJXKYSQDY-UHFFFAOYSA-N 2 1 392.712 3.718 20 0 GHADMP CC[C@@H]([NH3+])C[NH+]1CCC(c2cc3c(ncn3C)c(-c3ccc(OC)cc3)n2)CC1 ZINC001235644174 1041081207 /nfs/dbraw/zinc/08/12/07/1041081207.db2.gz MBQYJIASRRINFD-GOSISDBHSA-N 2 1 393.535 3.561 20 0 GHADMP c1cc(-c2ccc3c(C4CN(Cc5cc6c(s5)C[NH2+]CC6)C4)[nH+]cn3c2)co1 ZINC001235658129 1041104824 /nfs/dbraw/zinc/10/48/24/1041104824.db2.gz UHWKZYJHXRKYOR-UHFFFAOYSA-N 2 1 390.512 3.901 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659196 1041109345 /nfs/dbraw/zinc/10/93/45/1041109345.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659196 1041109351 /nfs/dbraw/zinc/10/93/51/1041109351.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659196 1041109358 /nfs/dbraw/zinc/10/93/58/1041109358.db2.gz CXVXJEUNYACOAU-JUHPOPGZSA-N 2 1 377.523 3.588 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660898 1041110316 /nfs/dbraw/zinc/11/03/16/1041110316.db2.gz IIWMAEXUGNDXRT-BULFRSBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660898 1041110355 /nfs/dbraw/zinc/11/03/55/1041110355.db2.gz IIWMAEXUGNDXRT-BULFRSBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660898 1041110361 /nfs/dbraw/zinc/11/03/61/1041110361.db2.gz IIWMAEXUGNDXRT-BULFRSBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660898 1041110393 /nfs/dbraw/zinc/11/03/93/1041110393.db2.gz IIWMAEXUGNDXRT-BULFRSBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660898 1041110422 /nfs/dbraw/zinc/11/04/22/1041110422.db2.gz IIWMAEXUGNDXRT-BULFRSBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659870 1041111720 /nfs/dbraw/zinc/11/17/20/1041111720.db2.gz BZVFULGLKIOQBM-NKKJXINNSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659870 1041111736 /nfs/dbraw/zinc/11/17/36/1041111736.db2.gz BZVFULGLKIOQBM-NKKJXINNSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]21 ZINC001235659870 1041111744 /nfs/dbraw/zinc/11/17/44/1041111744.db2.gz BZVFULGLKIOQBM-NKKJXINNSA-N 2 1 384.612 3.926 20 0 GHADMP C[N@H+]1CC[C@H]2CN(Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521883 1070326415 /nfs/dbraw/zinc/32/64/15/1070326415.db2.gz JVDDDEDAPSEHBR-FPOVZHCZSA-N 2 1 385.552 3.506 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521883 1070326428 /nfs/dbraw/zinc/32/64/28/1070326428.db2.gz JVDDDEDAPSEHBR-FPOVZHCZSA-N 2 1 385.552 3.506 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521883 1070326441 /nfs/dbraw/zinc/32/64/41/1070326441.db2.gz JVDDDEDAPSEHBR-FPOVZHCZSA-N 2 1 385.552 3.506 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521883 1070326452 /nfs/dbraw/zinc/32/64/52/1070326452.db2.gz JVDDDEDAPSEHBR-FPOVZHCZSA-N 2 1 385.552 3.506 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521883 1070326464 /nfs/dbraw/zinc/32/64/64/1070326464.db2.gz JVDDDEDAPSEHBR-FPOVZHCZSA-N 2 1 385.552 3.506 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255681104 1041212131 /nfs/dbraw/zinc/21/21/31/1041212131.db2.gz MFEUOGRXPMTRPD-YOFSQIOKSA-N 2 1 399.579 3.683 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255681104 1041212147 /nfs/dbraw/zinc/21/21/47/1041212147.db2.gz MFEUOGRXPMTRPD-YOFSQIOKSA-N 2 1 399.579 3.683 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)cc1 ZINC001255778908 1041289037 /nfs/dbraw/zinc/28/90/37/1041289037.db2.gz BIUZNAFMWMJGRX-LJQANCHMSA-N 2 1 377.573 3.752 20 0 GHADMP CC1(C[N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]CC1 ZINC001235883884 1041411480 /nfs/dbraw/zinc/41/14/80/1041411480.db2.gz AVAFYMUCWCNZLC-UHFFFAOYSA-N 2 1 378.973 3.852 20 0 GHADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255985361 1041456953 /nfs/dbraw/zinc/45/69/53/1041456953.db2.gz JUWUXUNUUMACDW-UHFFFAOYSA-N 2 1 397.485 3.526 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255985361 1041456955 /nfs/dbraw/zinc/45/69/55/1041456955.db2.gz JUWUXUNUUMACDW-UHFFFAOYSA-N 2 1 397.485 3.526 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c(C)c2)CC1 ZINC001236067668 1041518578 /nfs/dbraw/zinc/51/85/78/1041518578.db2.gz UPXYUUBFPPWPEA-OAQYLSRUSA-N 2 1 386.467 3.639 20 0 GHADMP COc1ccc([C@@H](C[N@@H+](C)Cc2ccc3n2CC[NH2+]C3)C2(O)CCCCC2)cc1 ZINC001236093413 1041529437 /nfs/dbraw/zinc/52/94/37/1041529437.db2.gz HPGHVODJSWPXMT-HSZRJFAPSA-N 2 1 397.563 3.511 20 0 GHADMP C[N@@H+](CCCC[NH3+])Cc1cc(Br)c(Br)c(F)c1F ZINC001236141565 1041564921 /nfs/dbraw/zinc/56/49/21/1041564921.db2.gz JLGQEXXTUUPJEW-UHFFFAOYSA-N 2 1 386.078 3.661 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001236235932 1041637538 /nfs/dbraw/zinc/63/75/38/1041637538.db2.gz HCTVGRXDKZUQAP-BWAGFHJFSA-N 2 1 399.579 3.571 20 0 GHADMP Fc1ccccc1CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC001236364862 1041682996 /nfs/dbraw/zinc/68/29/96/1041682996.db2.gz YTAMNNKRBKGENF-GMAHTHKFSA-N 2 1 381.539 3.902 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366519 1041684292 /nfs/dbraw/zinc/68/42/92/1041684292.db2.gz DGMGSJIKVJANEP-QGZVFWFLSA-N 2 1 384.495 3.987 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC[C@@H]1[NH3+] ZINC001236416435 1041706608 /nfs/dbraw/zinc/70/66/08/1041706608.db2.gz UHPCTEFOEKAKHZ-OALUTQOASA-N 2 1 393.314 3.983 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CC[C@@H]1[NH3+] ZINC001236416435 1041706612 /nfs/dbraw/zinc/70/66/12/1041706612.db2.gz UHPCTEFOEKAKHZ-OALUTQOASA-N 2 1 393.314 3.983 20 0 GHADMP CC(C)(C)C[N@H+](Cc1cnc2ccc(Br)cn12)C1CC[NH2+]CC1 ZINC001236457095 1041720526 /nfs/dbraw/zinc/72/05/26/1041720526.db2.gz IIECDRIIVBYBKV-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cnc2ccc(Br)cn12)C1CC[NH2+]CC1 ZINC001236457095 1041720533 /nfs/dbraw/zinc/72/05/33/1041720533.db2.gz IIECDRIIVBYBKV-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CCOCC[N@H+](Cc1cc(Br)c(CC)s1)C1CC[NH2+]CC1 ZINC001236460105 1041722879 /nfs/dbraw/zinc/72/28/79/1041722879.db2.gz AIQZPULPMLRVEJ-UHFFFAOYSA-N 2 1 375.376 3.664 20 0 GHADMP CCOCC[N@@H+](Cc1cc(Br)c(CC)s1)C1CC[NH2+]CC1 ZINC001236460105 1041722881 /nfs/dbraw/zinc/72/28/81/1041722881.db2.gz AIQZPULPMLRVEJ-UHFFFAOYSA-N 2 1 375.376 3.664 20 0 GHADMP COC(=O)c1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccc1Br ZINC001236460908 1041723255 /nfs/dbraw/zinc/72/32/55/1041723255.db2.gz VCIZMEFCYJBFCU-UHFFFAOYSA-N 2 1 397.357 3.836 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cc(C)c(O)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236464847 1041726986 /nfs/dbraw/zinc/72/69/86/1041726986.db2.gz LWPPMAQWROQLQB-UHFFFAOYSA-N 2 1 382.504 3.550 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)c(O)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236464847 1041726993 /nfs/dbraw/zinc/72/69/93/1041726993.db2.gz LWPPMAQWROQLQB-UHFFFAOYSA-N 2 1 382.504 3.550 20 0 GHADMP CC(C)C[N@H+](Cc1ccc(-n2ccnc2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475910 1041732191 /nfs/dbraw/zinc/73/21/91/1041732191.db2.gz TZDWJFREURNEMN-QGZVFWFLSA-N 2 1 391.357 3.845 20 0 GHADMP CC(C)C[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236475910 1041732197 /nfs/dbraw/zinc/73/21/97/1041732197.db2.gz TZDWJFREURNEMN-QGZVFWFLSA-N 2 1 391.357 3.845 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN(Cc3ccccn3)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236488640 1041736943 /nfs/dbraw/zinc/73/69/43/1041736943.db2.gz ZDYPEXUMJBRZMM-VWNXMTODSA-N 2 1 378.564 3.548 20 0 GHADMP Fc1cc(C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001236491025 1041738240 /nfs/dbraw/zinc/73/82/40/1041738240.db2.gz NSVDEEBXCSQGFG-HNNXBMFYSA-N 3 1 387.465 3.788 20 0 GHADMP Fc1cc(CN(CC[C@@H]2CCC[NH2+]C2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001236491025 1041738245 /nfs/dbraw/zinc/73/82/45/1041738245.db2.gz NSVDEEBXCSQGFG-HNNXBMFYSA-N 2 1 387.465 3.788 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cccc(-n3ccnc3)c2)C2CC[NH2+]CC2)cc1F ZINC001236506192 1041744979 /nfs/dbraw/zinc/74/49/79/1041744979.db2.gz YYFXJSRQHUSVTB-UHFFFAOYSA-N 2 1 382.458 3.905 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2cccc(-n3ccnc3)c2)C2CC[NH2+]CC2)cc1F ZINC001236506192 1041744988 /nfs/dbraw/zinc/74/49/88/1041744988.db2.gz YYFXJSRQHUSVTB-UHFFFAOYSA-N 2 1 382.458 3.905 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](CC1CCC2(CC1)OCCO2)C1CC[NH2+]CC1 ZINC001236509432 1041745545 /nfs/dbraw/zinc/74/55/45/1041745545.db2.gz MMFVUWMPHCODMF-UHFFFAOYSA-N 2 1 376.516 3.621 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cnc3ccc(Cl)nn23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545778 1041758537 /nfs/dbraw/zinc/75/85/37/1041758537.db2.gz UOLYFOFNBQFMRQ-QAQDUYKDSA-N 2 1 399.926 3.663 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cnn3ccc(Cl)nc23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236554296 1041760727 /nfs/dbraw/zinc/76/07/27/1041760727.db2.gz YBMIAMWILFEUOZ-IYARVYRRSA-N 2 1 399.926 3.663 20 0 GHADMP CC[NH+](CC)Cc1cccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1F ZINC001236559619 1041763622 /nfs/dbraw/zinc/76/36/22/1041763622.db2.gz IONUWUHVUPNKGU-UHFFFAOYSA-N 2 1 383.511 3.722 20 0 GHADMP C[N@@H+](Cc1ncc(C(F)(F)F)cc1Br)CC1CC[NH+](C)CC1 ZINC001236631200 1041793519 /nfs/dbraw/zinc/79/35/19/1041793519.db2.gz XNVIOQSTEHBASS-UHFFFAOYSA-N 2 1 380.252 3.637 20 0 GHADMP C[N@H+](Cc1ncc(C(F)(F)F)cc1Br)CC1CC[NH+](C)CC1 ZINC001236631200 1041793527 /nfs/dbraw/zinc/79/35/27/1041793527.db2.gz XNVIOQSTEHBASS-UHFFFAOYSA-N 2 1 380.252 3.637 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001236671836 1041819226 /nfs/dbraw/zinc/81/92/26/1041819226.db2.gz KNMPHZQKJRLDHH-JCNLHEQBSA-N 2 1 375.419 3.675 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2N2CC[NH2+]CC2)CC2CCCCC2)CC1 ZINC001236759641 1041876691 /nfs/dbraw/zinc/87/66/91/1041876691.db2.gz ZEZURNOCJZWEIK-YHBQERECSA-N 3 1 384.612 3.748 20 0 GHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2cn3c4c2cccc4C[NH2+]CC3)c1 ZINC001236849165 1041927082 /nfs/dbraw/zinc/92/70/82/1041927082.db2.gz TYROWGLVACBQBW-QFIPXVFZSA-N 2 1 389.499 3.868 20 0 GHADMP c1ncn(-c2cccc(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)c2)n1 ZINC001236889255 1041941308 /nfs/dbraw/zinc/94/13/08/1041941308.db2.gz FULXGHIMXKRBDO-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP c1ncn(-c2cccc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c2)n1 ZINC001236889255 1041941313 /nfs/dbraw/zinc/94/13/13/1041941313.db2.gz FULXGHIMXKRBDO-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236892730 1041942530 /nfs/dbraw/zinc/94/25/30/1041942530.db2.gz FZJSTIVIFTUHSC-HSZRJFAPSA-N 2 1 379.548 3.922 20 0 GHADMP Cc1cc(C[N@H+](Cc2ccccc2)Cc2cccc(N3CC[NH+](C)CC3)c2)on1 ZINC001236892093 1041942695 /nfs/dbraw/zinc/94/26/95/1041942695.db2.gz FQTQAODXZLQDHN-UHFFFAOYSA-N 2 1 390.531 3.937 20 0 GHADMP Cc1cc(C[N@@H+](Cc2ccccc2)Cc2cccc(N3CC[NH+](C)CC3)c2)on1 ZINC001236892093 1041942702 /nfs/dbraw/zinc/94/27/02/1041942702.db2.gz FQTQAODXZLQDHN-UHFFFAOYSA-N 2 1 390.531 3.937 20 0 GHADMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236894467 1041943186 /nfs/dbraw/zinc/94/31/86/1041943186.db2.gz NSANSJVBMQQHNS-UHFFFAOYSA-N 2 1 393.453 3.969 20 0 GHADMP C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001236895534 1041944087 /nfs/dbraw/zinc/94/40/87/1041944087.db2.gz PNFYWTXAFIZGHR-UHFFFAOYSA-N 3 1 384.612 3.667 20 0 GHADMP CN(Cc1cccc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001236895534 1041944091 /nfs/dbraw/zinc/94/40/91/1041944091.db2.gz PNFYWTXAFIZGHR-UHFFFAOYSA-N 2 1 384.612 3.667 20 0 GHADMP COc1cccc(CN2CCC3(CC2)CN(Cc2ccoc2)CCO3)c1Cl ZINC001237192493 1042087501 /nfs/dbraw/zinc/08/75/01/1042087501.db2.gz VAYJHZMIFLCRPH-UHFFFAOYSA-N 2 1 390.911 3.809 20 0 GHADMP COc1nc(Cl)ccc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001237247135 1042106465 /nfs/dbraw/zinc/10/64/65/1042106465.db2.gz ZTARHHCYNLYDGQ-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1nc(Cl)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001237247135 1042106472 /nfs/dbraw/zinc/10/64/72/1042106472.db2.gz ZTARHHCYNLYDGQ-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C2)cc1 ZINC001237263234 1042112578 /nfs/dbraw/zinc/11/25/78/1042112578.db2.gz BGGQZRWHKSWFJX-NRFANRHFSA-N 2 1 394.563 3.658 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3Cc4ccccc4C34CC[NH2+]CC4)C2)cc1 ZINC001237304418 1042135298 /nfs/dbraw/zinc/13/52/98/1042135298.db2.gz ICXOHRYSTHFTPY-QFIPXVFZSA-N 2 1 375.560 3.993 20 0 GHADMP Fc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1OC(F)F ZINC001237356866 1042166432 /nfs/dbraw/zinc/16/64/32/1042166432.db2.gz MWMSOZLUWNTMHP-HDICACEKSA-N 2 1 376.422 3.991 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4nccc(C)c34)CC2)C1 ZINC001237625141 1042292034 /nfs/dbraw/zinc/29/20/34/1042292034.db2.gz DXUNMXUYMQFQON-HXUWFJFHSA-N 2 1 395.547 3.783 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4nccc(C)c34)CC2)C1 ZINC001237625141 1042292040 /nfs/dbraw/zinc/29/20/40/1042292040.db2.gz DXUNMXUYMQFQON-HXUWFJFHSA-N 2 1 395.547 3.783 20 0 GHADMP Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001237733953 1042345411 /nfs/dbraw/zinc/34/54/11/1042345411.db2.gz PKTJBIOVLDRQJD-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP c1nc(C2CC2)sc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001237789312 1042370875 /nfs/dbraw/zinc/37/08/75/1042370875.db2.gz KLVPEPKWVIIPKJ-UHFFFAOYSA-N 2 1 398.576 3.530 20 0 GHADMP CCOC(=O)COc1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001237917711 1042421889 /nfs/dbraw/zinc/42/18/89/1042421889.db2.gz AZXYEHSOCGMERK-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001237917711 1042421890 /nfs/dbraw/zinc/42/18/90/1042421890.db2.gz AZXYEHSOCGMERK-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001237917711 1042421892 /nfs/dbraw/zinc/42/18/92/1042421892.db2.gz AZXYEHSOCGMERK-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001237917711 1042421893 /nfs/dbraw/zinc/42/18/93/1042421893.db2.gz AZXYEHSOCGMERK-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(O)ccc1C)CC2 ZINC001238093844 1042490121 /nfs/dbraw/zinc/49/01/21/1042490121.db2.gz VPGOSEFVAWFBJB-JOCHJYFZSA-N 2 1 395.547 3.599 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4cccc5cncn54)C[C@H]2C3)c1 ZINC001238106421 1042493896 /nfs/dbraw/zinc/49/38/96/1042493896.db2.gz ZONZUXHJPKRCRY-UTKZUKDTSA-N 2 1 399.498 3.515 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4cccc5c[nH+]cn54)C[C@H]2C3)c1 ZINC001238106421 1042493898 /nfs/dbraw/zinc/49/38/98/1042493898.db2.gz ZONZUXHJPKRCRY-UTKZUKDTSA-N 2 1 399.498 3.515 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4cccc5c[nH+]cn54)C[C@H]2C3)c1 ZINC001238106421 1042493900 /nfs/dbraw/zinc/49/39/00/1042493900.db2.gz ZONZUXHJPKRCRY-UTKZUKDTSA-N 2 1 399.498 3.515 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001238441967 1042596989 /nfs/dbraw/zinc/59/69/89/1042596989.db2.gz QPBXBKMZIJCQMX-UHFFFAOYSA-N 2 1 382.346 3.549 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001238441967 1042596991 /nfs/dbraw/zinc/59/69/91/1042596991.db2.gz QPBXBKMZIJCQMX-UHFFFAOYSA-N 2 1 382.346 3.549 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cnc1F ZINC001238458458 1042602539 /nfs/dbraw/zinc/60/25/39/1042602539.db2.gz XSVCRYJPOQBOOM-UHFFFAOYSA-N 2 1 375.513 3.779 20 0 GHADMP COc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001238485700 1042614342 /nfs/dbraw/zinc/61/43/42/1042614342.db2.gz OETPCBMDUYRGDU-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001238485700 1042614345 /nfs/dbraw/zinc/61/43/45/1042614345.db2.gz OETPCBMDUYRGDU-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP CCOc1ccc(C)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001238707482 1042694470 /nfs/dbraw/zinc/69/44/70/1042694470.db2.gz MGTBZUPVHLJRHD-UHFFFAOYSA-N 2 1 382.552 3.634 20 0 GHADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)NC1CCCCCC1 ZINC001239218423 1042788341 /nfs/dbraw/zinc/78/83/41/1042788341.db2.gz YDJCWXBXPKITOB-OAQYLSRUSA-N 2 1 398.595 3.510 20 0 GHADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cccc(CN4CC[NH2+]CC4)c3)cc12 ZINC001240246147 1042912246 /nfs/dbraw/zinc/91/22/46/1042912246.db2.gz HRAVPBXHZVDKJF-HSZRJFAPSA-N 2 1 388.559 3.877 20 0 GHADMP C[NH+]1CCN(Cc2cccc(-c3ccc4c(c3)CCC43CC[NH2+]CC3)c2)CC1 ZINC001240292739 1042919165 /nfs/dbraw/zinc/91/91/65/1042919165.db2.gz IPUVRGGNGWIPKH-UHFFFAOYSA-N 2 1 375.560 3.668 20 0 GHADMP C[NH+]1CCN(Cc2cccc(-c3cccc4c3C3(CC4)CC[NH2+]CC3)c2)CC1 ZINC001240292681 1042919212 /nfs/dbraw/zinc/91/92/12/1042919212.db2.gz FQSCMIJMXBYLCR-UHFFFAOYSA-N 2 1 375.560 3.668 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256520717 1043444608 /nfs/dbraw/zinc/44/46/08/1043444608.db2.gz UEECGPUZWJNDAJ-AZUAARDMSA-N 2 1 375.557 3.934 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256520717 1043444618 /nfs/dbraw/zinc/44/46/18/1043444618.db2.gz UEECGPUZWJNDAJ-AZUAARDMSA-N 2 1 375.557 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523356 1043446590 /nfs/dbraw/zinc/44/65/90/1043446590.db2.gz OGFDVLXUCCPQRW-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523356 1043446600 /nfs/dbraw/zinc/44/66/00/1043446600.db2.gz OGFDVLXUCCPQRW-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256522828 1043447571 /nfs/dbraw/zinc/44/75/71/1043447571.db2.gz KDVGHYNUHSDHSK-CVDCTZTESA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256522828 1043447583 /nfs/dbraw/zinc/44/75/83/1043447583.db2.gz KDVGHYNUHSDHSK-CVDCTZTESA-N 2 1 380.532 3.935 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001256523371 1043451322 /nfs/dbraw/zinc/45/13/22/1043451322.db2.gz OMXVKBUHSSQUAO-WIYYLYMNSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001256523371 1043451330 /nfs/dbraw/zinc/45/13/30/1043451330.db2.gz OMXVKBUHSSQUAO-WIYYLYMNSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530737 1043463604 /nfs/dbraw/zinc/46/36/04/1043463604.db2.gz DUZICLJXGXGFBR-PXDATVDWSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530737 1043463610 /nfs/dbraw/zinc/46/36/10/1043463610.db2.gz DUZICLJXGXGFBR-PXDATVDWSA-N 3 1 392.591 3.936 20 0 GHADMP COc1ccc(CC[N@H+](C[C@H](C)O)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256535709 1043476394 /nfs/dbraw/zinc/47/63/94/1043476394.db2.gz CHPADGQUORVULT-AWRGLXIESA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256535709 1043476401 /nfs/dbraw/zinc/47/64/01/1043476401.db2.gz CHPADGQUORVULT-AWRGLXIESA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256535709 1043476408 /nfs/dbraw/zinc/47/64/08/1043476408.db2.gz CHPADGQUORVULT-AWRGLXIESA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256535709 1043476413 /nfs/dbraw/zinc/47/64/13/1043476413.db2.gz CHPADGQUORVULT-AWRGLXIESA-N 2 1 396.575 3.974 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536552 1043479701 /nfs/dbraw/zinc/47/97/01/1043479701.db2.gz FCJWWKUVGZDVGC-BDKRGJGYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536552 1043479707 /nfs/dbraw/zinc/47/97/07/1043479707.db2.gz FCJWWKUVGZDVGC-BDKRGJGYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256536552 1043479719 /nfs/dbraw/zinc/47/97/19/1043479719.db2.gz FCJWWKUVGZDVGC-BDKRGJGYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256536552 1043479736 /nfs/dbraw/zinc/47/97/36/1043479736.db2.gz FCJWWKUVGZDVGC-BDKRGJGYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542302 1043494545 /nfs/dbraw/zinc/49/45/45/1043494545.db2.gz OCTLZNJFGOAUOK-FYKMYLNBSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256542302 1043494554 /nfs/dbraw/zinc/49/45/54/1043494554.db2.gz OCTLZNJFGOAUOK-FYKMYLNBSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542302 1043494571 /nfs/dbraw/zinc/49/45/71/1043494571.db2.gz OCTLZNJFGOAUOK-FYKMYLNBSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542302 1043494582 /nfs/dbraw/zinc/49/45/82/1043494582.db2.gz OCTLZNJFGOAUOK-FYKMYLNBSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256545053 1043502157 /nfs/dbraw/zinc/50/21/57/1043502157.db2.gz BIMFUMUIGNZJBP-PVSVRJGFSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256545053 1043502180 /nfs/dbraw/zinc/50/21/80/1043502180.db2.gz BIMFUMUIGNZJBP-PVSVRJGFSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256545053 1043502193 /nfs/dbraw/zinc/50/21/93/1043502193.db2.gz BIMFUMUIGNZJBP-PVSVRJGFSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256545053 1043502208 /nfs/dbraw/zinc/50/22/08/1043502208.db2.gz BIMFUMUIGNZJBP-PVSVRJGFSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@H]1C[C@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552222 1043516231 /nfs/dbraw/zinc/51/62/31/1043516231.db2.gz ZUYGTNZTSWNOJY-LADGPHEKSA-N 2 1 393.575 3.736 20 0 GHADMP C[C@H]1C[C@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552222 1043516239 /nfs/dbraw/zinc/51/62/39/1043516239.db2.gz ZUYGTNZTSWNOJY-LADGPHEKSA-N 2 1 393.575 3.736 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C1)C2 ZINC001256574848 1043548447 /nfs/dbraw/zinc/54/84/47/1043548447.db2.gz FTIUSLSIAGUKOL-NTKDMRAZSA-N 2 1 384.564 3.844 20 0 GHADMP c1ccc(C[NH+]2CCC([N@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)CC2)cc1 ZINC001256605678 1043569579 /nfs/dbraw/zinc/56/95/79/1043569579.db2.gz HZOKAOIBYYLAPW-WXFUMESZSA-N 2 1 384.564 3.700 20 0 GHADMP c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)CC2)cc1 ZINC001256605678 1043569588 /nfs/dbraw/zinc/56/95/88/1043569588.db2.gz HZOKAOIBYYLAPW-WXFUMESZSA-N 2 1 384.564 3.700 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001256612359 1043576342 /nfs/dbraw/zinc/57/63/42/1043576342.db2.gz JAEFLFZVKAOYAO-DHIUTWEWSA-N 2 1 378.516 3.540 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001256612359 1043576351 /nfs/dbraw/zinc/57/63/51/1043576351.db2.gz JAEFLFZVKAOYAO-DHIUTWEWSA-N 2 1 378.516 3.540 20 0 GHADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(SC(F)(F)F)c1 ZINC001278954852 1043601795 /nfs/dbraw/zinc/60/17/95/1043601795.db2.gz BAQAQSXYDXONNA-ALOPSCKCSA-N 2 1 387.515 3.945 20 0 GHADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(SC(F)(F)F)c1 ZINC001278954852 1043601798 /nfs/dbraw/zinc/60/17/98/1043601798.db2.gz BAQAQSXYDXONNA-ALOPSCKCSA-N 2 1 387.515 3.945 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H](C)Cc4ccncc4)CC3)C2)cc1 ZINC001256742752 1043644164 /nfs/dbraw/zinc/64/41/64/1043644164.db2.gz PKFUBJORVSKZTF-NRFANRHFSA-N 2 1 379.548 3.688 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256857589 1043705763 /nfs/dbraw/zinc/70/57/63/1043705763.db2.gz UKAQQLYDBUFSGI-QFIPXVFZSA-N 2 1 386.540 3.526 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)CC2=O)s1 ZINC001256858355 1043705983 /nfs/dbraw/zinc/70/59/83/1043705983.db2.gz DPDIRJNLXVSEFO-JOCHJYFZSA-N 2 1 396.560 3.549 20 0 GHADMP c1ccc(-c2ncnc3c2CC[N@@H+](C2CCN(c4cc[nH+]cc4)CC2)CC3)cc1 ZINC001256858391 1043706466 /nfs/dbraw/zinc/70/64/66/1043706466.db2.gz FVBCPQVTOXDNGD-UHFFFAOYSA-N 2 1 385.515 3.608 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894798 1043728387 /nfs/dbraw/zinc/72/83/87/1043728387.db2.gz MUSLGRPNEPVTSS-QEUVDIPISA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894798 1043728400 /nfs/dbraw/zinc/72/84/00/1043728400.db2.gz MUSLGRPNEPVTSS-QEUVDIPISA-N 2 1 391.600 3.876 20 0 GHADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257566120 1044049536 /nfs/dbraw/zinc/04/95/36/1044049536.db2.gz XDDNIABAZORSCA-OXQOHEQNSA-N 2 1 395.385 3.955 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257566120 1044049552 /nfs/dbraw/zinc/04/95/52/1044049552.db2.gz XDDNIABAZORSCA-OXQOHEQNSA-N 2 1 395.385 3.955 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001257774046 1044164678 /nfs/dbraw/zinc/16/46/78/1044164678.db2.gz JYTMYTDIQFFLOW-HXJXPZHGSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001257774046 1044164681 /nfs/dbraw/zinc/16/46/81/1044164681.db2.gz JYTMYTDIQFFLOW-HXJXPZHGSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001257774046 1044164688 /nfs/dbraw/zinc/16/46/88/1044164688.db2.gz JYTMYTDIQFFLOW-HXJXPZHGSA-N 2 1 391.600 3.974 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](n2c[nH+]cc2CC[NH3+])C[C@H]1Cc1ccccc1 ZINC001257967935 1044287315 /nfs/dbraw/zinc/28/73/15/1044287315.db2.gz CJNZOJSOEAGSFM-AZUAARDMSA-N 2 1 384.524 3.568 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C[C@@H]1Cc1ccccc1 ZINC001257990389 1044318485 /nfs/dbraw/zinc/31/84/85/1044318485.db2.gz SSRLZZVKZYBYJE-UXHICEINSA-N 2 1 398.551 3.958 20 0 GHADMP COCCN1CCOC[C@]2(CCC[N@H+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996895 1044323828 /nfs/dbraw/zinc/32/38/28/1044323828.db2.gz MDIYICFCFUDHAS-KXTRFFEISA-N 2 1 386.580 3.774 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC2)CC1 ZINC001258013800 1044339083 /nfs/dbraw/zinc/33/90/83/1044339083.db2.gz XLUZAZPLLJBPAF-KDURUIRLSA-N 2 1 379.589 3.686 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001258012880 1044339217 /nfs/dbraw/zinc/33/92/17/1044339217.db2.gz ZWNSCBSQDJNDIE-JOCHJYFZSA-N 2 1 389.609 3.797 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141491 1044427425 /nfs/dbraw/zinc/42/74/25/1044427425.db2.gz AWURCRPEAURUGQ-RBBKRZOGSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141491 1044427426 /nfs/dbraw/zinc/42/74/26/1044427426.db2.gz AWURCRPEAURUGQ-RBBKRZOGSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)C1 ZINC001258145086 1044433528 /nfs/dbraw/zinc/43/35/28/1044433528.db2.gz YIFWQBCXMPJSNG-VWLOTQADSA-N 2 1 399.623 3.516 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[N@H+]4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001258147708 1044437374 /nfs/dbraw/zinc/43/73/74/1044437374.db2.gz PIWJDFWMZWPWCA-RUZDIDTESA-N 2 1 375.560 3.609 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCCC(C)(C)C3)O2)CC1 ZINC001258287362 1044493144 /nfs/dbraw/zinc/49/31/44/1044493144.db2.gz QZXMCIPHZMQCGF-DXBBTUNJSA-N 2 1 378.601 3.936 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001258327435 1044507520 /nfs/dbraw/zinc/50/75/20/1044507520.db2.gz OJYRNPIJINMVAW-INIZCTEOSA-N 2 1 375.623 3.733 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001258343370 1044518093 /nfs/dbraw/zinc/51/80/93/1044518093.db2.gz XWLLFFIJYXWJDK-IBGZPJMESA-N 2 1 391.625 3.916 20 0 GHADMP C[C@H](CC1CC1)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258466491 1044573410 /nfs/dbraw/zinc/57/34/10/1044573410.db2.gz QWBUJZUZYPCLIO-ZFJSRUIDSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H](CC1CC1)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001258466491 1044573420 /nfs/dbraw/zinc/57/34/20/1044573420.db2.gz QWBUJZUZYPCLIO-ZFJSRUIDSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H](CC1CC1)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001258466491 1044573435 /nfs/dbraw/zinc/57/34/35/1044573435.db2.gz QWBUJZUZYPCLIO-ZFJSRUIDSA-N 2 1 383.580 3.821 20 0 GHADMP CC1(C)COC2(CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)OC1 ZINC001258520195 1044597526 /nfs/dbraw/zinc/59/75/26/1044597526.db2.gz LLPHAXCDZBZFMX-UHFFFAOYSA-N 2 1 386.580 3.995 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001258618645 1044670759 /nfs/dbraw/zinc/67/07/59/1044670759.db2.gz QFGVJVFQGMCJKV-HSQYWUDLSA-N 2 1 381.520 3.571 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC001294606179 1044724896 /nfs/dbraw/zinc/72/48/96/1044724896.db2.gz UNNPINVYWDRAEI-YCAMKHIRSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001294606179 1044724914 /nfs/dbraw/zinc/72/49/14/1044724914.db2.gz UNNPINVYWDRAEI-YCAMKHIRSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001294606179 1044724928 /nfs/dbraw/zinc/72/49/28/1044724928.db2.gz UNNPINVYWDRAEI-YCAMKHIRSA-N 2 1 397.607 3.723 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001258773912 1044758628 /nfs/dbraw/zinc/75/86/28/1044758628.db2.gz SAORABXYAKTRLL-OAQYLSRUSA-N 2 1 375.582 3.551 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+](C2CC[NH+](CCC)CC2)CC1 ZINC001258777912 1044760688 /nfs/dbraw/zinc/76/06/88/1044760688.db2.gz NBXUVFKMXYTHBZ-UHFFFAOYSA-N 2 1 387.568 3.544 20 0 GHADMP CCOC[C@@H]1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)Cc2nn(CC3CC3)cc21 ZINC001258909026 1044861586 /nfs/dbraw/zinc/86/15/86/1044861586.db2.gz BTZCGKFRSWRBOR-QUCCMNQESA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)Cc2nn(CC3CC3)cc21 ZINC001258909026 1044861610 /nfs/dbraw/zinc/86/16/10/1044861610.db2.gz BTZCGKFRSWRBOR-QUCCMNQESA-N 2 1 376.589 3.739 20 0 GHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC001295977077 1045205610 /nfs/dbraw/zinc/20/56/10/1045205610.db2.gz GXJCFABDFGJYEY-AQNXPRMDSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001295977077 1045205618 /nfs/dbraw/zinc/20/56/18/1045205618.db2.gz GXJCFABDFGJYEY-AQNXPRMDSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001295977077 1045205637 /nfs/dbraw/zinc/20/56/37/1045205637.db2.gz GXJCFABDFGJYEY-AQNXPRMDSA-N 2 1 390.620 3.585 20 0 GHADMP COCCCn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001261220940 1045927632 /nfs/dbraw/zinc/92/76/32/1045927632.db2.gz DIEDSTAUWALEAQ-FRIKZZABSA-N 2 1 382.552 3.595 20 0 GHADMP COCCCn1nccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261220940 1045927635 /nfs/dbraw/zinc/92/76/35/1045927635.db2.gz DIEDSTAUWALEAQ-FRIKZZABSA-N 2 1 382.552 3.595 20 0 GHADMP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)[C@@H](C)C1 ZINC001299017797 1045998461 /nfs/dbraw/zinc/99/84/61/1045998461.db2.gz LDXOKSUAHWNWAO-NKKJXINNSA-N 2 1 397.607 3.868 20 0 GHADMP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)[C@@H](C)C1 ZINC001299017797 1045998469 /nfs/dbraw/zinc/99/84/69/1045998469.db2.gz LDXOKSUAHWNWAO-NKKJXINNSA-N 2 1 397.607 3.868 20 0 GHADMP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)[C@@H](C)C1 ZINC001299017797 1045998478 /nfs/dbraw/zinc/99/84/78/1045998478.db2.gz LDXOKSUAHWNWAO-NKKJXINNSA-N 2 1 397.607 3.868 20 0 GHADMP CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000567613566 1046064409 /nfs/dbraw/zinc/06/44/09/1046064409.db2.gz CEZWHJHQNOMXLF-PKTZIBPZSA-N 2 1 379.548 3.551 20 0 GHADMP CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000567613566 1046064421 /nfs/dbraw/zinc/06/44/21/1046064421.db2.gz CEZWHJHQNOMXLF-PKTZIBPZSA-N 2 1 379.548 3.551 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)CC2 ZINC001261743341 1046072000 /nfs/dbraw/zinc/07/20/00/1046072000.db2.gz XHBDAQNJQWKJHV-JOCHJYFZSA-N 2 1 398.595 3.549 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)CC2 ZINC001261743341 1046072016 /nfs/dbraw/zinc/07/20/16/1046072016.db2.gz XHBDAQNJQWKJHV-JOCHJYFZSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@H](C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001303540165 1047419303 /nfs/dbraw/zinc/41/93/03/1047419303.db2.gz LQFBJHSLHVPCOT-NHCUHLMSSA-N 2 1 397.607 3.805 20 0 GHADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000393405898 1047676562 /nfs/dbraw/zinc/67/65/62/1047676562.db2.gz RQUPAQOKVUCNHY-HXUWFJFHSA-N 2 1 375.557 3.790 20 0 GHADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279197658 1047740524 /nfs/dbraw/zinc/74/05/24/1047740524.db2.gz BNCKUNWEQAORKV-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](CCCC3OCCO3)C2)C1 ZINC001279251246 1047749393 /nfs/dbraw/zinc/74/93/93/1047749393.db2.gz LYCNPUVHPXXTKB-GOSISDBHSA-N 2 1 378.479 3.660 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCC[NH+](CCCC3OCCO3)C2)C1 ZINC001279251246 1047749395 /nfs/dbraw/zinc/74/93/95/1047749395.db2.gz LYCNPUVHPXXTKB-GOSISDBHSA-N 2 1 378.479 3.660 20 0 GHADMP FC(F)(F)CCC[NH+]1CCC[C@@]2(CCC[N@H+](CCCC3OCCO3)C2)C1 ZINC001279251246 1047749398 /nfs/dbraw/zinc/74/93/98/1047749398.db2.gz LYCNPUVHPXXTKB-GOSISDBHSA-N 2 1 378.479 3.660 20 0 GHADMP FC(F)(F)CCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCCC3OCCO3)C2)C1 ZINC001279251246 1047749401 /nfs/dbraw/zinc/74/94/01/1047749401.db2.gz LYCNPUVHPXXTKB-GOSISDBHSA-N 2 1 378.479 3.660 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(Br)c1 ZINC001279419573 1047799681 /nfs/dbraw/zinc/79/96/81/1047799681.db2.gz QICVNCFAOIUYHZ-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(SC(F)(F)F)cc1 ZINC001279434862 1047804850 /nfs/dbraw/zinc/80/48/50/1047804850.db2.gz AMEBZUHDJADNBH-ALOPSCKCSA-N 2 1 387.515 3.945 20 0 GHADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(SC(F)(F)F)cc1 ZINC001279434862 1047804858 /nfs/dbraw/zinc/80/48/58/1047804858.db2.gz AMEBZUHDJADNBH-ALOPSCKCSA-N 2 1 387.515 3.945 20 0 GHADMP Cc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1Cl ZINC001279445649 1047810794 /nfs/dbraw/zinc/81/07/94/1047810794.db2.gz NTKZUYHDZDBRCD-UHFFFAOYSA-N 2 1 376.907 3.999 20 0 GHADMP CSc1cccc(Cl)c1C[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N(C)C)(C1)CCC2 ZINC001279494024 1047824063 /nfs/dbraw/zinc/82/40/63/1047824063.db2.gz BWHHGZBZXDVFRG-VQTJNVASSA-N 2 1 396.000 3.675 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)CC2 ZINC001279579827 1047850855 /nfs/dbraw/zinc/85/08/55/1047850855.db2.gz PJNGMGXQHTWWLK-CTNGQTDRSA-N 2 1 375.988 3.793 20 0 GHADMP C[NH+](C)CCN1CCC2(C1)CC[NH+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)CC2 ZINC001279579827 1047850881 /nfs/dbraw/zinc/85/08/81/1047850881.db2.gz PJNGMGXQHTWWLK-CTNGQTDRSA-N 2 1 375.988 3.793 20 0 GHADMP COc1cc(Br)cc(F)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279693820 1047919761 /nfs/dbraw/zinc/91/97/61/1047919761.db2.gz NLGTURCSTYAJGA-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP Brc1ccsc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279703330 1047923906 /nfs/dbraw/zinc/92/39/06/1047923906.db2.gz BAQYEGBWGDSSCW-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1ccsc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279703330 1047923910 /nfs/dbraw/zinc/92/39/10/1047923910.db2.gz BAQYEGBWGDSSCW-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1ccsc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279703330 1047923912 /nfs/dbraw/zinc/92/39/12/1047923912.db2.gz BAQYEGBWGDSSCW-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Cc1ccsc1C[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)C)CC2)CC1 ZINC001279778567 1047947580 /nfs/dbraw/zinc/94/75/80/1047947580.db2.gz NDSATURJKQTWKK-UHFFFAOYSA-N 2 1 377.598 3.648 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305417683 1048037677 /nfs/dbraw/zinc/03/76/77/1048037677.db2.gz ZOWQPBRNCHMLDS-LWYYNNOASA-N 2 1 392.636 3.687 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001305449488 1048061965 /nfs/dbraw/zinc/06/19/65/1048061965.db2.gz KPLZBHIBJTUMTO-RTBURBONSA-N 2 1 390.620 3.587 20 0 GHADMP CCOC(=O)CCCC[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001280157069 1048110301 /nfs/dbraw/zinc/11/03/01/1048110301.db2.gz UYBPHCPMIDVBND-UHFFFAOYSA-N 2 1 378.479 3.850 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC[C@@]2(CCCN(CC[NH+]3CCCCC3)C2)C1 ZINC001280257765 1048149234 /nfs/dbraw/zinc/14/92/34/1048149234.db2.gz QXWXZFNAVNYIDI-LJQANCHMSA-N 2 1 375.523 3.993 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000821991693 1048362537 /nfs/dbraw/zinc/36/25/37/1048362537.db2.gz WFSJPUSRBLZFCF-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001287206956 1048652707 /nfs/dbraw/zinc/65/27/07/1048652707.db2.gz HICFULWPGZCULN-OAQYLSRUSA-N 2 1 398.599 3.625 20 0 GHADMP CCCC[NH+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001306685569 1048811774 /nfs/dbraw/zinc/81/17/74/1048811774.db2.gz GVCYORJYJBAXBG-MOPGFXCFSA-N 2 1 392.636 3.518 20 0 GHADMP CCCC[NH+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306685569 1048811788 /nfs/dbraw/zinc/81/17/88/1048811788.db2.gz GVCYORJYJBAXBG-MOPGFXCFSA-N 2 1 392.636 3.518 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC001306833997 1048920134 /nfs/dbraw/zinc/92/01/34/1048920134.db2.gz UTZKYTDGIPFBRS-QFIPXVFZSA-N 2 1 397.519 3.508 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nnc(-c2ccccc2)cc1C(F)(F)F ZINC001307164817 1049113225 /nfs/dbraw/zinc/11/32/25/1049113225.db2.gz URHYSTQEIDIGPM-HNNXBMFYSA-N 2 1 395.473 3.846 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nnc(-c2ccccc2)cc1C(F)(F)F ZINC001307164817 1049113230 /nfs/dbraw/zinc/11/32/30/1049113230.db2.gz URHYSTQEIDIGPM-HNNXBMFYSA-N 2 1 395.473 3.846 20 0 GHADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)O1 ZINC001307432625 1049269973 /nfs/dbraw/zinc/26/99/73/1049269973.db2.gz VVHDXEVEHCOLRR-PQNGQFLHSA-N 2 1 385.596 3.746 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001307440333 1049276998 /nfs/dbraw/zinc/27/69/98/1049276998.db2.gz JLLIDQDSALFGFD-QHAWAJNXSA-N 2 1 393.616 3.933 20 0 GHADMP CC[NH+]1CCC([N@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001307515800 1049357375 /nfs/dbraw/zinc/35/73/75/1049357375.db2.gz VBCNMPMSFCTILW-UHFFFAOYSA-N 2 1 387.568 3.896 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001307515800 1049357386 /nfs/dbraw/zinc/35/73/86/1049357386.db2.gz VBCNMPMSFCTILW-UHFFFAOYSA-N 2 1 387.568 3.896 20 0 GHADMP CC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001307515896 1049358426 /nfs/dbraw/zinc/35/84/26/1049358426.db2.gz XHYDINBYQBLLJQ-XLIONFOSSA-N 2 1 377.960 3.715 20 0 GHADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001307515896 1049358441 /nfs/dbraw/zinc/35/84/41/1049358441.db2.gz XHYDINBYQBLLJQ-XLIONFOSSA-N 2 1 377.960 3.715 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCc4ccccc4[C@@H]3C)CC2)cc1 ZINC001307520324 1049364100 /nfs/dbraw/zinc/36/41/00/1049364100.db2.gz WUNFFPWNEGOCSH-NRFANRHFSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCc4ccccc4[C@@H]3C)CC2)cc1 ZINC001307520324 1049364117 /nfs/dbraw/zinc/36/41/17/1049364117.db2.gz WUNFFPWNEGOCSH-NRFANRHFSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCc4ccccc4[C@@H]3C)CC2)cc1 ZINC001307520324 1049364132 /nfs/dbraw/zinc/36/41/32/1049364132.db2.gz WUNFFPWNEGOCSH-NRFANRHFSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCc4ccccc4[C@@H]3C)CC2)cc1 ZINC001307520324 1049364145 /nfs/dbraw/zinc/36/41/45/1049364145.db2.gz WUNFFPWNEGOCSH-NRFANRHFSA-N 2 1 391.559 3.649 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC001307709015 1049524595 /nfs/dbraw/zinc/52/45/95/1049524595.db2.gz PSABUSCDMZMXTD-ZFWWWQNUSA-N 2 1 375.376 3.737 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC001307709015 1049524605 /nfs/dbraw/zinc/52/46/05/1049524605.db2.gz PSABUSCDMZMXTD-ZFWWWQNUSA-N 2 1 375.376 3.737 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855314 1049636670 /nfs/dbraw/zinc/63/66/70/1049636670.db2.gz RLSZDIPEAQHGIH-FCHUYYIVSA-N 2 1 379.548 3.674 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccc(F)c(F)c3)C2(C)C)CC1 ZINC001308046539 1049795597 /nfs/dbraw/zinc/79/55/97/1049795597.db2.gz SDGUIGSTPMKDSJ-SFHVURJKSA-N 2 1 393.522 3.522 20 0 GHADMP COc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(Cl)c1 ZINC001308245678 1049924883 /nfs/dbraw/zinc/92/48/83/1049924883.db2.gz CRWJDNPKHXXJFE-UHFFFAOYSA-N 2 1 377.916 3.955 20 0 GHADMP Cc1c(Cl)cccc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001308622761 1050036974 /nfs/dbraw/zinc/03/69/74/1050036974.db2.gz AUTZVVGYEJBACU-UHFFFAOYSA-N 2 1 387.955 3.911 20 0 GHADMP CCc1cc(OC)ccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001308757802 1050084317 /nfs/dbraw/zinc/08/43/17/1050084317.db2.gz MHBXVWIKVTZSHZ-XMMPIXPASA-N 2 1 393.575 3.650 20 0 GHADMP CCc1cc(OC)ccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308757802 1050084324 /nfs/dbraw/zinc/08/43/24/1050084324.db2.gz MHBXVWIKVTZSHZ-XMMPIXPASA-N 2 1 393.575 3.650 20 0 GHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308985084 1050247466 /nfs/dbraw/zinc/24/74/66/1050247466.db2.gz RUAPLUZOSXXOBR-QIJUGHKUSA-N 2 1 379.589 3.591 20 0 GHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308985084 1050247469 /nfs/dbraw/zinc/24/74/69/1050247469.db2.gz RUAPLUZOSXXOBR-QIJUGHKUSA-N 2 1 379.589 3.591 20 0 GHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308985084 1050247477 /nfs/dbraw/zinc/24/74/77/1050247477.db2.gz RUAPLUZOSXXOBR-QIJUGHKUSA-N 2 1 379.589 3.591 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001327685156 1050252557 /nfs/dbraw/zinc/25/25/57/1050252557.db2.gz KPBUVIHHDDORFM-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001327685156 1050252573 /nfs/dbraw/zinc/25/25/73/1050252573.db2.gz KPBUVIHHDDORFM-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001327685156 1050252582 /nfs/dbraw/zinc/25/25/82/1050252582.db2.gz KPBUVIHHDDORFM-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)[nH]n1 ZINC001329505997 1050823892 /nfs/dbraw/zinc/82/38/92/1050823892.db2.gz ANLMVJUCPNVSKX-UHFFFAOYSA-N 2 1 384.524 3.641 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001311343774 1052039095 /nfs/dbraw/zinc/03/90/95/1052039095.db2.gz HLUHJVXLUUCQCK-VQTJNVASSA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001311373971 1052070579 /nfs/dbraw/zinc/07/05/79/1052070579.db2.gz MWCFZJRBEIZFJM-VQTJNVASSA-N 2 1 392.975 3.651 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001311400790 1052100910 /nfs/dbraw/zinc/10/09/10/1052100910.db2.gz SXUHZAKZJRZSTA-QINBWVTOSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001311430530 1052136304 /nfs/dbraw/zinc/13/63/04/1052136304.db2.gz NHPQRPXRGSBJFV-CTNGQTDRSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001311430530 1052136316 /nfs/dbraw/zinc/13/63/16/1052136316.db2.gz NHPQRPXRGSBJFV-CTNGQTDRSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001311430530 1052136329 /nfs/dbraw/zinc/13/63/29/1052136329.db2.gz NHPQRPXRGSBJFV-CTNGQTDRSA-N 2 1 378.605 3.595 20 0 GHADMP C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)o3)cc2)CC1 ZINC001335868852 1052194339 /nfs/dbraw/zinc/19/43/39/1052194339.db2.gz QBBUPYPZCDYFKQ-UHFFFAOYSA-N 2 1 396.535 3.660 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001311992977 1052518405 /nfs/dbraw/zinc/51/84/05/1052518405.db2.gz AHJUSDBOZMRINE-DENIHFKCSA-N 2 1 394.563 3.690 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001311996306 1052520763 /nfs/dbraw/zinc/52/07/63/1052520763.db2.gz GAGIYLZFKBZLEB-UGKGYDQZSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001311996299 1052520932 /nfs/dbraw/zinc/52/09/32/1052520932.db2.gz GAGIYLZFKBZLEB-DENIHFKCSA-N 2 1 386.584 3.584 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001312054055 1052549497 /nfs/dbraw/zinc/54/94/97/1052549497.db2.gz FIQYYJJMNUUMGC-HXUWFJFHSA-N 2 1 378.605 3.596 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001312268786 1052670585 /nfs/dbraw/zinc/67/05/85/1052670585.db2.gz XIJOWVBVABFYKP-XWUOBKMESA-N 2 1 388.600 3.876 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001312649263 1052826054 /nfs/dbraw/zinc/82/60/54/1052826054.db2.gz TWGQJFZJYMJMGE-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001312649263 1052826059 /nfs/dbraw/zinc/82/60/59/1052826059.db2.gz TWGQJFZJYMJMGE-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001312649263 1052826065 /nfs/dbraw/zinc/82/60/65/1052826065.db2.gz TWGQJFZJYMJMGE-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001312786942 1052869495 /nfs/dbraw/zinc/86/94/95/1052869495.db2.gz QUUUMFZPEIVLGJ-SFTDATJTSA-N 2 1 388.600 3.804 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068887 1052948784 /nfs/dbraw/zinc/94/87/84/1052948784.db2.gz ITECLUYKCIQQKL-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068887 1052948786 /nfs/dbraw/zinc/94/87/86/1052948786.db2.gz ITECLUYKCIQQKL-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP CCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068887 1052948787 /nfs/dbraw/zinc/94/87/87/1052948787.db2.gz ITECLUYKCIQQKL-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP Cc1c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001343616236 1053930296 /nfs/dbraw/zinc/93/02/96/1053930296.db2.gz FHWAHHBKVQZJOP-HXUWFJFHSA-N 2 1 376.504 3.675 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC001319096048 1055035220 /nfs/dbraw/zinc/03/52/20/1055035220.db2.gz XXNPFTMLENJPGA-CEMLEFRQSA-N 2 1 386.584 3.632 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CSCCc4ccccc43)c2)CC1 ZINC001319393045 1055224434 /nfs/dbraw/zinc/22/44/34/1055224434.db2.gz IOAHXBWFLYJGES-HSZRJFAPSA-N 2 1 381.589 3.554 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001319613182 1055358929 /nfs/dbraw/zinc/35/89/29/1055358929.db2.gz QNRWNXOUJVXPQE-TYPHKJRUSA-N 2 1 389.584 3.832 20 0 GHADMP Cc1c(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc2c[nH+]cn21 ZINC001320039899 1055616211 /nfs/dbraw/zinc/61/62/11/1055616211.db2.gz QYJPYNVSGSLMIL-AJSBUHFISA-N 2 1 388.515 3.673 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1Cl ZINC001321527927 1056303657 /nfs/dbraw/zinc/30/36/57/1056303657.db2.gz QIXJQEZOGAMGDH-FQEVSTJZSA-N 2 1 386.927 3.790 20 0 GHADMP Cc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001323659492 1056996035 /nfs/dbraw/zinc/99/60/35/1056996035.db2.gz KOKGPSSVXJHJGD-OFNKIYASSA-N 2 1 388.515 3.769 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001326075686 1057409226 /nfs/dbraw/zinc/40/92/26/1057409226.db2.gz SCVUJORLTVBHBI-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001326075686 1057409230 /nfs/dbraw/zinc/40/92/30/1057409230.db2.gz SCVUJORLTVBHBI-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001326075686 1057409231 /nfs/dbraw/zinc/40/92/31/1057409231.db2.gz SCVUJORLTVBHBI-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000848989818 1057492464 /nfs/dbraw/zinc/49/24/64/1057492464.db2.gz CJWNZQWAJIOTJZ-DENIHFKCSA-N 2 1 394.563 3.652 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989977 1057495102 /nfs/dbraw/zinc/49/51/02/1057495102.db2.gz PDKXENFCMPLXKD-UYAOXDASSA-N 2 1 380.536 3.610 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(Cl)c(F)c3)CC2)CC1 ZINC001326757497 1057550953 /nfs/dbraw/zinc/55/09/53/1057550953.db2.gz RKUIDZUOJJGURN-OAHLLOKOSA-N 2 1 395.950 3.853 20 0 GHADMP Clc1cccc(-n2cc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)nn2)c1Cl ZINC001327005488 1057584905 /nfs/dbraw/zinc/58/49/05/1057584905.db2.gz QHWDKCFWYKLYRF-UHFFFAOYSA-N 2 1 380.323 3.540 20 0 GHADMP Clc1cccc(-n2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)nn2)c1Cl ZINC001327005488 1057584912 /nfs/dbraw/zinc/58/49/12/1057584912.db2.gz QHWDKCFWYKLYRF-UHFFFAOYSA-N 2 1 380.323 3.540 20 0 GHADMP C[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000849083605 1057586302 /nfs/dbraw/zinc/58/63/02/1057586302.db2.gz AKQQSDDHMRRCJV-CQSZACIVSA-N 2 1 392.425 3.968 20 0 GHADMP C[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000849083605 1057586308 /nfs/dbraw/zinc/58/63/08/1057586308.db2.gz AKQQSDDHMRRCJV-CQSZACIVSA-N 2 1 392.425 3.968 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC001442596104 1058981706 /nfs/dbraw/zinc/98/17/06/1058981706.db2.gz URINLLRMVXBMET-BJKOFHAPSA-N 2 1 391.559 3.770 20 0 GHADMP COCCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC001339892766 1059541640 /nfs/dbraw/zinc/54/16/40/1059541640.db2.gz JBSSJFXISXXWPR-XMMPIXPASA-N 2 1 399.554 3.831 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3N3CC[NH+](C)CC3)CC2)C1 ZINC001340530663 1059966038 /nfs/dbraw/zinc/96/60/38/1059966038.db2.gz YZQMERDCGJYPTN-OFNKIYASSA-N 3 1 384.612 3.571 20 0 GHADMP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc(C)n1 ZINC001341006660 1060326200 /nfs/dbraw/zinc/32/62/00/1060326200.db2.gz QJEUWPZZUUOVSS-UHFFFAOYSA-N 2 1 378.476 3.667 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001341792946 1060899636 /nfs/dbraw/zinc/89/96/36/1060899636.db2.gz YODOSWGWENCZLC-RCZSKKKRSA-N 2 1 395.547 3.502 20 0 GHADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001454667285 1061905515 /nfs/dbraw/zinc/90/55/15/1061905515.db2.gz JBKGEYGHTBICLJ-DEOSSOPVSA-N 2 1 393.575 3.722 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001454667285 1061905517 /nfs/dbraw/zinc/90/55/17/1061905517.db2.gz JBKGEYGHTBICLJ-DEOSSOPVSA-N 2 1 393.575 3.722 20 0 GHADMP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001454667285 1061905520 /nfs/dbraw/zinc/90/55/20/1061905520.db2.gz JBKGEYGHTBICLJ-DEOSSOPVSA-N 2 1 393.575 3.722 20 0 GHADMP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001454667285 1061905525 /nfs/dbraw/zinc/90/55/25/1061905525.db2.gz JBKGEYGHTBICLJ-DEOSSOPVSA-N 2 1 393.575 3.722 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457573968 1063258925 /nfs/dbraw/zinc/25/89/25/1063258925.db2.gz KOJBUMDIKADKII-NHTMILBNSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457573968 1063258935 /nfs/dbraw/zinc/25/89/35/1063258935.db2.gz KOJBUMDIKADKII-NHTMILBNSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457573968 1063258957 /nfs/dbraw/zinc/25/89/57/1063258957.db2.gz KOJBUMDIKADKII-NHTMILBNSA-N 2 1 391.559 3.708 20 0 GHADMP COc1cccc(N2CC[NH+](CCSCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001459250798 1064037219 /nfs/dbraw/zinc/03/72/19/1064037219.db2.gz GABNXRSRHNKAIE-UHFFFAOYSA-N 2 1 399.604 3.682 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001459786175 1064216510 /nfs/dbraw/zinc/21/65/10/1064216510.db2.gz KEKPMXUYTMJJGF-SVFBPWRDSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001459786175 1064216515 /nfs/dbraw/zinc/21/65/15/1064216515.db2.gz KEKPMXUYTMJJGF-SVFBPWRDSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001459786175 1064216519 /nfs/dbraw/zinc/21/65/19/1064216519.db2.gz KEKPMXUYTMJJGF-SVFBPWRDSA-N 2 1 391.600 3.972 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001464109691 1064828990 /nfs/dbraw/zinc/82/89/90/1064828990.db2.gz YRHKQYQLGCTMRT-FQEVSTJZSA-N 2 1 381.520 3.660 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001464551124 1065074898 /nfs/dbraw/zinc/07/48/98/1065074898.db2.gz LVLANZOUGPATTP-YMPZKCBVSA-N 2 1 385.596 3.771 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCCC2 ZINC001464698569 1065162605 /nfs/dbraw/zinc/16/26/05/1065162605.db2.gz WJCJNPLIAUYQBE-LJQANCHMSA-N 2 1 391.625 3.895 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C12CCC(CC1)C2(C)C ZINC001465616094 1065746743 /nfs/dbraw/zinc/74/67/43/1065746743.db2.gz OCOQTJKEULCWPN-UHFFFAOYSA-N 2 1 389.628 3.858 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001466125517 1065990511 /nfs/dbraw/zinc/99/05/11/1065990511.db2.gz DOVGBGAWXDPCAX-RBBKRZOGSA-N 2 1 385.596 3.915 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC001466949294 1066408034 /nfs/dbraw/zinc/40/80/34/1066408034.db2.gz KSWGAOPWTMAZIW-HNNXBMFYSA-N 2 1 382.346 3.570 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC001466949294 1066408047 /nfs/dbraw/zinc/40/80/47/1066408047.db2.gz KSWGAOPWTMAZIW-HNNXBMFYSA-N 2 1 382.346 3.570 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001477597828 1078484158 /nfs/dbraw/zinc/48/41/58/1078484158.db2.gz GECKENGHQQSMAA-APWZRJJASA-N 2 1 394.991 3.752 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001477596543 1078483370 /nfs/dbraw/zinc/48/33/70/1078483370.db2.gz WIZSHWNCMBNNOU-JTVPBKEVSA-N 2 1 392.632 3.649 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001477652083 1078509237 /nfs/dbraw/zinc/50/92/37/1078509237.db2.gz IJICZGWWIPCDBT-YADHBBJMSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001477652083 1078509242 /nfs/dbraw/zinc/50/92/42/1078509242.db2.gz IJICZGWWIPCDBT-YADHBBJMSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001477652083 1078509249 /nfs/dbraw/zinc/50/92/49/1078509249.db2.gz IJICZGWWIPCDBT-YADHBBJMSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC001467862191 1067504671 /nfs/dbraw/zinc/50/46/71/1067504671.db2.gz QBJXVNPDPNCXGN-FQEVSTJZSA-N 2 1 386.584 3.688 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC001468160085 1067614780 /nfs/dbraw/zinc/61/47/80/1067614780.db2.gz HEDOMNFXBZGAKP-OAQYLSRUSA-N 2 1 386.584 3.735 20 0 GHADMP CCC[NH+]1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC001468160085 1067614783 /nfs/dbraw/zinc/61/47/83/1067614783.db2.gz HEDOMNFXBZGAKP-OAQYLSRUSA-N 2 1 386.584 3.735 20 0 GHADMP CCC[NH+]1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC001468160085 1067614787 /nfs/dbraw/zinc/61/47/87/1067614787.db2.gz HEDOMNFXBZGAKP-OAQYLSRUSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001468204453 1067630590 /nfs/dbraw/zinc/63/05/90/1067630590.db2.gz HOLLKWVJHRYWSA-PFRQMTDMSA-N 2 1 394.991 3.608 20 0 GHADMP C[C@@H](C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001468225302 1067638999 /nfs/dbraw/zinc/63/89/99/1067638999.db2.gz IKMOJHBGBDHDOJ-NRFANRHFSA-N 2 1 397.607 3.807 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001468346247 1067695900 /nfs/dbraw/zinc/69/59/00/1067695900.db2.gz AUWHQNWAUNIULH-FYYLOGMGSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001468346247 1067695904 /nfs/dbraw/zinc/69/59/04/1067695904.db2.gz AUWHQNWAUNIULH-FYYLOGMGSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001468346247 1067695905 /nfs/dbraw/zinc/69/59/05/1067695905.db2.gz AUWHQNWAUNIULH-FYYLOGMGSA-N 2 1 398.595 3.605 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001477798061 1078571119 /nfs/dbraw/zinc/57/11/19/1078571119.db2.gz JCWGWPGMBGBBIL-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001477798061 1078571121 /nfs/dbraw/zinc/57/11/21/1078571121.db2.gz JCWGWPGMBGBBIL-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001477798061 1078571124 /nfs/dbraw/zinc/57/11/24/1078571124.db2.gz JCWGWPGMBGBBIL-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C ZINC001468444246 1067733263 /nfs/dbraw/zinc/73/32/63/1067733263.db2.gz SABFPQKAURQWHB-NJYVYQBISA-N 2 1 394.648 3.896 20 0 GHADMP Cc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000849114003 1067733957 /nfs/dbraw/zinc/73/39/57/1067733957.db2.gz QDFBRHLIUUOJKC-NRFANRHFSA-N 2 1 392.547 3.860 20 0 GHADMP COc1ccc(NC(=[NH2+])NCC2([N@H+](C)Cc3ccccc3)CCC2)cc1OC ZINC000849114847 1067734761 /nfs/dbraw/zinc/73/47/61/1067734761.db2.gz WNQOEMZOYAGCIB-UHFFFAOYSA-N 2 1 382.508 3.695 20 0 GHADMP COc1ccc(NC(=[NH2+])NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc1OC ZINC000849114847 1067734767 /nfs/dbraw/zinc/73/47/67/1067734767.db2.gz WNQOEMZOYAGCIB-UHFFFAOYSA-N 2 1 382.508 3.695 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C)c1ccccc1 ZINC001477905483 1078620743 /nfs/dbraw/zinc/62/07/43/1078620743.db2.gz HMQQHGMMXKOQOV-UTKZUKDTSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)c1ccccc1 ZINC001477905483 1078620746 /nfs/dbraw/zinc/62/07/46/1078620746.db2.gz HMQQHGMMXKOQOV-UTKZUKDTSA-N 2 1 380.536 3.602 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC3CCC([NH+]4CCCCC4)CC3)CC2)c1 ZINC001469163820 1068004741 /nfs/dbraw/zinc/00/47/41/1068004741.db2.gz LKXGPIUJICLMET-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC001477994475 1078661597 /nfs/dbraw/zinc/66/15/97/1078661597.db2.gz DAMJRJHJMLULCK-OAQYLSRUSA-N 2 1 386.584 3.731 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)cc1 ZINC001478083248 1078707731 /nfs/dbraw/zinc/70/77/31/1078707731.db2.gz FZOXMKYSTOPYNK-VQTJNVASSA-N 2 1 392.975 3.649 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001470004695 1068515605 /nfs/dbraw/zinc/51/56/05/1068515605.db2.gz OQHHOSDKHCXRCR-LJQANCHMSA-N 2 1 379.976 3.742 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC001478140084 1078738746 /nfs/dbraw/zinc/73/87/46/1078738746.db2.gz ZCYJYUITYPDGCH-RTBURBONSA-N 2 1 388.600 3.563 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 ZINC001470324192 1068681603 /nfs/dbraw/zinc/68/16/03/1068681603.db2.gz REWJZBXZJSUKFG-XMSQKQJNSA-N 2 1 386.584 3.683 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C2CC2)c1 ZINC001470324190 1068681835 /nfs/dbraw/zinc/68/18/35/1068681835.db2.gz REWJZBXZJSUKFG-GCJKJVERSA-N 2 1 386.584 3.683 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C2CC2)c1 ZINC001460168403 1068828646 /nfs/dbraw/zinc/82/86/46/1068828646.db2.gz IFHBSUKINHNXTR-YDIMBITNSA-N 2 1 391.559 3.994 20 0 GHADMP O=C(C[N@H+]1CCC[C@H](C2CCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460459970 1068970488 /nfs/dbraw/zinc/97/04/88/1068970488.db2.gz JEGUHUDGHOABIZ-FQEVSTJZSA-N 2 1 387.593 3.686 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001460578647 1069007594 /nfs/dbraw/zinc/00/75/94/1069007594.db2.gz NNPURIYMLPZBRJ-SFTDATJTSA-N 2 1 385.552 3.866 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001460578647 1069007607 /nfs/dbraw/zinc/00/76/07/1069007607.db2.gz NNPURIYMLPZBRJ-SFTDATJTSA-N 2 1 385.552 3.866 20 0 GHADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001460614706 1069031567 /nfs/dbraw/zinc/03/15/67/1069031567.db2.gz GUSDSTJCBORSAV-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP OC1(C[C@@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC001460765296 1069165189 /nfs/dbraw/zinc/16/51/89/1069165189.db2.gz WVYYYYWNTRTEFI-QHCPKHFHSA-N 2 1 386.580 3.959 20 0 GHADMP OC1(C[C@@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC001460765296 1069165195 /nfs/dbraw/zinc/16/51/95/1069165195.db2.gz WVYYYYWNTRTEFI-QHCPKHFHSA-N 2 1 386.580 3.959 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)[nH+]c1 ZINC001478480848 1078885433 /nfs/dbraw/zinc/88/54/33/1078885433.db2.gz GUQZUJFHXYNWAZ-HXUWFJFHSA-N 2 1 387.572 3.536 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)[nH+]c1 ZINC001478480848 1078885436 /nfs/dbraw/zinc/88/54/36/1078885436.db2.gz GUQZUJFHXYNWAZ-HXUWFJFHSA-N 2 1 387.572 3.536 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCCCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001471047710 1072903871 /nfs/dbraw/zinc/90/38/71/1072903871.db2.gz WDSKIWPTTLPEQG-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001471047710 1072903874 /nfs/dbraw/zinc/90/38/74/1072903874.db2.gz WDSKIWPTTLPEQG-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCCCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001471047710 1072903877 /nfs/dbraw/zinc/90/38/77/1072903877.db2.gz WDSKIWPTTLPEQG-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC001471505786 1073108314 /nfs/dbraw/zinc/10/83/14/1073108314.db2.gz WDALVNXMHCQZGH-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001479107813 1079106913 /nfs/dbraw/zinc/10/69/13/1079106913.db2.gz UKRIRWHROZRLRG-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)CCCCC1 ZINC001479221589 1079159426 /nfs/dbraw/zinc/15/94/26/1079159426.db2.gz JJIWGQJYMBTKCG-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC001479221589 1079159429 /nfs/dbraw/zinc/15/94/29/1079159429.db2.gz JJIWGQJYMBTKCG-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCCCC1 ZINC001479221589 1079159433 /nfs/dbraw/zinc/15/94/33/1079159433.db2.gz JJIWGQJYMBTKCG-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccc(Cl)c1 ZINC001473109554 1073784139 /nfs/dbraw/zinc/78/41/39/1073784139.db2.gz VLJJKSLPERRBPY-NRFANRHFSA-N 2 1 387.955 3.970 20 0 GHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001473194412 1073847411 /nfs/dbraw/zinc/84/74/11/1073847411.db2.gz CXRSVVIMBLVBRI-PKTZIBPZSA-N 2 1 381.564 3.667 20 0 GHADMP COCC[C@@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473206988 1073859437 /nfs/dbraw/zinc/85/94/37/1073859437.db2.gz OEDWMWXOFDTEHN-DEOSSOPVSA-N 2 1 387.612 3.892 20 0 GHADMP COCC[C@@H](c1ccccc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001473206988 1073859444 /nfs/dbraw/zinc/85/94/44/1073859444.db2.gz OEDWMWXOFDTEHN-DEOSSOPVSA-N 3 1 387.612 3.892 20 0 GHADMP COCC[C@@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001473206988 1073859451 /nfs/dbraw/zinc/85/94/51/1073859451.db2.gz OEDWMWXOFDTEHN-DEOSSOPVSA-N 3 1 387.612 3.892 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC001473407093 1073952310 /nfs/dbraw/zinc/95/23/10/1073952310.db2.gz NIXWGWVRMIYZJX-LPHOPBHVSA-N 2 1 383.374 3.984 20 0 GHADMP Cc1ccc(C[C@]2(C)CCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC001473686807 1074086501 /nfs/dbraw/zinc/08/65/01/1074086501.db2.gz KXWNGFVGSMHQPB-ZCYQVOJMSA-N 2 1 393.575 3.811 20 0 GHADMP CC(C)(C)OCCCN1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001473755743 1074125475 /nfs/dbraw/zinc/12/54/75/1074125475.db2.gz ZQYWFBITJGTTSH-UHFFFAOYSA-N 2 1 387.612 3.995 20 0 GHADMP CCC[C@@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001473933136 1074209545 /nfs/dbraw/zinc/20/95/45/1074209545.db2.gz DPZDYVMDLPRAIE-QHCPKHFHSA-N 2 1 379.548 3.748 20 0 GHADMP COc1cccc(-c2csc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2)c1 ZINC001474015824 1074236014 /nfs/dbraw/zinc/23/60/14/1074236014.db2.gz GNFGUQSUQAGKJF-CALCHBBNSA-N 2 1 389.565 3.798 20 0 GHADMP Cc1cc(N2CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)nc(C)n1 ZINC001474026996 1074240523 /nfs/dbraw/zinc/24/05/23/1074240523.db2.gz AFPQIMPDRMELIB-UHFFFAOYSA-N 2 1 395.595 3.810 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1OCC(C)C ZINC001474068469 1074253161 /nfs/dbraw/zinc/25/31/61/1074253161.db2.gz XUUMANJTLANMSW-NHCUHLMSSA-N 2 1 390.568 3.588 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317476 1074339473 /nfs/dbraw/zinc/33/94/73/1074339473.db2.gz GWHQRQFRTYHXDK-XLIONFOSSA-N 2 1 375.557 3.873 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317476 1074339480 /nfs/dbraw/zinc/33/94/80/1074339480.db2.gz GWHQRQFRTYHXDK-XLIONFOSSA-N 2 1 375.557 3.873 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC001474317476 1074339486 /nfs/dbraw/zinc/33/94/86/1074339486.db2.gz GWHQRQFRTYHXDK-XLIONFOSSA-N 2 1 375.557 3.873 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2ccnc(Cl)c2s1 ZINC001474501155 1074434724 /nfs/dbraw/zinc/43/47/24/1074434724.db2.gz VLANAVRAGDLRRO-MRXNPFEDSA-N 2 1 380.989 3.798 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001474592867 1074475816 /nfs/dbraw/zinc/47/58/16/1074475816.db2.gz WVNINYFDBVZJCW-SFHVURJKSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(N4CCSCC4)c3)CC2)C1 ZINC001474651450 1074500248 /nfs/dbraw/zinc/50/02/48/1074500248.db2.gz PHOJSWKVBMTYHA-NQIIRXRSSA-N 2 1 388.625 3.768 20 0 GHADMP CCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001500412094 1079600067 /nfs/dbraw/zinc/60/00/67/1079600067.db2.gz KLMKRUNBAXMSRP-UHFFFAOYSA-N 2 1 398.599 3.644 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000824285061 608504666 /nfs/dbraw/zinc/50/46/66/608504666.db2.gz VWPOWUHKKLVBHW-JOCHJYFZSA-N 2 1 390.535 3.874 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000824618879 609331304 /nfs/dbraw/zinc/33/13/04/609331304.db2.gz RIXFZDKNSKAMHU-HNNXBMFYSA-N 2 1 382.487 3.697 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164843634 720664447 /nfs/dbraw/zinc/66/44/47/720664447.db2.gz WSTVTFZEBSAWAY-IBGZPJMESA-N 2 1 376.504 3.823 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164838239 720667728 /nfs/dbraw/zinc/66/77/28/720667728.db2.gz GRBYQJBGJGDHKC-FQEVSTJZSA-N 2 1 376.504 3.823 20 0 GHADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785563 721435856 /nfs/dbraw/zinc/43/58/56/721435856.db2.gz NREVVZFSHXFMSR-VAMGGRTRSA-N 2 1 397.592 3.653 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785563 721435858 /nfs/dbraw/zinc/43/58/58/721435858.db2.gz NREVVZFSHXFMSR-VAMGGRTRSA-N 2 1 397.592 3.653 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCC4)cc[nH+]3)C[C@H]21 ZINC001165028894 721818613 /nfs/dbraw/zinc/81/86/13/721818613.db2.gz XYUWVISAWCHSHR-WWPVKYPJSA-N 2 1 391.563 3.814 20 0 GHADMP CC[NH+](CC)C1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165054325 722002116 /nfs/dbraw/zinc/00/21/16/722002116.db2.gz XOARAXIJXIGRMW-UHFFFAOYSA-N 2 1 378.564 3.951 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655712150 837704319 /nfs/dbraw/zinc/70/43/19/837704319.db2.gz RAZLQTUSBLTBDM-QZTJIDSGSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655712150 837704325 /nfs/dbraw/zinc/70/43/25/837704325.db2.gz RAZLQTUSBLTBDM-QZTJIDSGSA-N 2 1 389.341 3.660 20 0 GHADMP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655725246 837746249 /nfs/dbraw/zinc/74/62/49/837746249.db2.gz PKFMPAXZUXOXJH-PKOBYXMFSA-N 2 1 378.582 3.656 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579699975 834410447 /nfs/dbraw/zinc/41/04/47/834410447.db2.gz AWBUOLNTNVUWDR-UXPWSPDFSA-N 2 1 395.950 3.886 20 0 GHADMP Clc1ccc(COCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000655738645 837781512 /nfs/dbraw/zinc/78/15/12/837781512.db2.gz NZQJAENYPCJQKA-GOSISDBHSA-N 2 1 387.351 3.743 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3Cl)C2)C1 ZINC000650708398 834552569 /nfs/dbraw/zinc/55/25/69/834552569.db2.gz ZCPGGFWXEJMICF-MJEQTWJJSA-N 2 1 387.749 3.821 20 0 GHADMP COCc1cccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000091708146 834650597 /nfs/dbraw/zinc/65/05/97/834650597.db2.gz IUIOKECLGQIUFO-UHFFFAOYSA-N 2 1 397.563 3.950 20 0 GHADMP COCc1cccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000091708146 834650604 /nfs/dbraw/zinc/65/06/04/834650604.db2.gz IUIOKECLGQIUFO-UHFFFAOYSA-N 2 1 397.563 3.950 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)c(Br)c2)C1 ZINC000650723138 834695648 /nfs/dbraw/zinc/69/56/48/834695648.db2.gz HVVOFGIYDALEOO-COXVUDFISA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Br)c2)C1 ZINC000650723138 834695651 /nfs/dbraw/zinc/69/56/51/834695651.db2.gz HVVOFGIYDALEOO-COXVUDFISA-N 2 1 387.749 3.963 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000430166067 834723961 /nfs/dbraw/zinc/72/39/61/834723961.db2.gz NQIUAPXEMJSMPC-HSZRJFAPSA-N 2 1 376.504 3.968 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000139924843 834768088 /nfs/dbraw/zinc/76/80/88/834768088.db2.gz MJEHWDZZIVVYIC-RBBKRZOGSA-N 2 1 397.588 3.741 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000139924843 834768094 /nfs/dbraw/zinc/76/80/94/834768094.db2.gz MJEHWDZZIVVYIC-RBBKRZOGSA-N 2 1 397.588 3.741 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000139924843 834768101 /nfs/dbraw/zinc/76/81/01/834768101.db2.gz MJEHWDZZIVVYIC-RBBKRZOGSA-N 2 1 397.588 3.741 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@H]3C[NH+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000685401599 834983081 /nfs/dbraw/zinc/98/30/81/834983081.db2.gz ACJKAHPDXVGWPP-DENIHFKCSA-N 2 1 384.524 3.894 20 0 GHADMP CCC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000685401599 834983087 /nfs/dbraw/zinc/98/30/87/834983087.db2.gz ACJKAHPDXVGWPP-DENIHFKCSA-N 2 1 384.524 3.894 20 0 GHADMP CCC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000685401599 834983092 /nfs/dbraw/zinc/98/30/92/834983092.db2.gz ACJKAHPDXVGWPP-DENIHFKCSA-N 2 1 384.524 3.894 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000382411107 835040768 /nfs/dbraw/zinc/04/07/68/835040768.db2.gz DRZJBCMFFLEWRB-TZIWHRDSSA-N 2 1 387.568 3.934 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(F)c1 ZINC000583807283 835067492 /nfs/dbraw/zinc/06/74/92/835067492.db2.gz FQRNJTAELFZSSK-MRXNPFEDSA-N 2 1 375.513 3.718 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cccc(F)c1 ZINC000583807283 835067501 /nfs/dbraw/zinc/06/75/01/835067501.db2.gz FQRNJTAELFZSSK-MRXNPFEDSA-N 2 1 375.513 3.718 20 0 GHADMP C(=C/C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)\C[NH+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000685604277 835212889 /nfs/dbraw/zinc/21/28/89/835212889.db2.gz HWUNMYGGFKZMPW-NBSITQGLSA-N 2 1 386.580 3.610 20 0 GHADMP C(=C/C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)\C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604277 835212895 /nfs/dbraw/zinc/21/28/95/835212895.db2.gz HWUNMYGGFKZMPW-NBSITQGLSA-N 2 1 386.580 3.610 20 0 GHADMP C(=C/C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)\C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604277 835212901 /nfs/dbraw/zinc/21/29/01/835212901.db2.gz HWUNMYGGFKZMPW-NBSITQGLSA-N 2 1 386.580 3.610 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)[C@H]2CCCO2)cc1 ZINC000685662119 835278779 /nfs/dbraw/zinc/27/87/79/835278779.db2.gz FPWPKZYRBMAGMY-OLMNPRSZSA-N 2 1 376.298 3.539 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000061856074 835330199 /nfs/dbraw/zinc/33/01/99/835330199.db2.gz VRZMRYSBNVKPOG-UHFFFAOYSA-N 2 1 394.563 3.734 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309757451 835351932 /nfs/dbraw/zinc/35/19/32/835351932.db2.gz XGUQPVUXTNQFLK-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000658074088 835399445 /nfs/dbraw/zinc/39/94/45/835399445.db2.gz RITCAUAVQLVFPK-UHFFFAOYSA-N 2 1 379.548 3.856 20 0 GHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000658069823 835409088 /nfs/dbraw/zinc/40/90/88/835409088.db2.gz IYKFBTNKTOICMC-NRFANRHFSA-N 2 1 399.623 3.563 20 0 GHADMP C[C@H]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000433364346 844053322 /nfs/dbraw/zinc/05/33/22/844053322.db2.gz JMBRFQHQSBWYRL-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141751 835452052 /nfs/dbraw/zinc/45/20/52/835452052.db2.gz UKYQAUQOGXOQBC-PZJWPPBQSA-N 2 1 386.923 3.910 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3ccccn3)cc2)C1 ZINC000658138016 835461330 /nfs/dbraw/zinc/46/13/30/835461330.db2.gz LTMLJOPZDRWPRL-ISKFKSNPSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3ccccn3)cc2)C1 ZINC000658138016 835461331 /nfs/dbraw/zinc/46/13/31/835461331.db2.gz LTMLJOPZDRWPRL-ISKFKSNPSA-N 2 1 391.490 3.667 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1OC(F)F ZINC000658141053 835466621 /nfs/dbraw/zinc/46/66/21/835466621.db2.gz BGOWTRHMJQIICD-CRAIPNDOSA-N 2 1 376.447 3.705 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000685702600 835501630 /nfs/dbraw/zinc/50/16/30/835501630.db2.gz SIEHHQNWPZDQML-OAQYLSRUSA-N 2 1 395.551 3.628 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccco3)c3ccccc3)CC2)CC1 ZINC000584181670 835733642 /nfs/dbraw/zinc/73/36/42/835733642.db2.gz FGDDVBJRNPFNEN-QHCPKHFHSA-N 2 1 395.547 3.682 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1cccc(Br)c1 ZINC000173600963 836221351 /nfs/dbraw/zinc/22/13/51/836221351.db2.gz BVNUVVXBULLNOY-INIZCTEOSA-N 2 1 394.357 3.586 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000613377703 836236214 /nfs/dbraw/zinc/23/62/14/836236214.db2.gz PTGSIYVEEYLWCK-ACIOBRDBSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613377703 836236223 /nfs/dbraw/zinc/23/62/23/836236223.db2.gz PTGSIYVEEYLWCK-ACIOBRDBSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613377703 836236230 /nfs/dbraw/zinc/23/62/30/836236230.db2.gz PTGSIYVEEYLWCK-ACIOBRDBSA-N 2 1 397.607 3.710 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000473279441 844144240 /nfs/dbraw/zinc/14/42/40/844144240.db2.gz BORHGYSJWBZHGC-NRFANRHFSA-N 2 1 385.939 3.507 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000473279441 844144244 /nfs/dbraw/zinc/14/42/44/844144244.db2.gz BORHGYSJWBZHGC-NRFANRHFSA-N 2 1 385.939 3.507 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275115764 836301254 /nfs/dbraw/zinc/30/12/54/836301254.db2.gz YXVQVKLYSFMRBR-QUCCMNQESA-N 2 1 397.567 3.744 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483490 844154855 /nfs/dbraw/zinc/15/48/55/844154855.db2.gz XDJYVQXXIYGEJN-OYDLWJJNSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483490 844154860 /nfs/dbraw/zinc/15/48/60/844154860.db2.gz XDJYVQXXIYGEJN-OYDLWJJNSA-N 2 1 391.559 3.850 20 0 GHADMP CC[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000413791194 836339238 /nfs/dbraw/zinc/33/92/38/836339238.db2.gz LEFDGRDDGPWMHC-XDLUSNJSSA-N 2 1 377.960 3.710 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483676 844153563 /nfs/dbraw/zinc/15/35/63/844153563.db2.gz IFANADGNQXZXAA-KSEOMHKRSA-N 2 1 399.604 3.622 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000092664595 844156920 /nfs/dbraw/zinc/15/69/20/844156920.db2.gz MCWYYJDNSYTMFZ-BGYRXZFFSA-N 2 1 396.554 3.878 20 0 GHADMP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000612565520 836411114 /nfs/dbraw/zinc/41/11/14/836411114.db2.gz PCYYCXYYDOWHHH-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP CCC(=O)N1CCCN(C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122240 836417789 /nfs/dbraw/zinc/41/77/89/836417789.db2.gz DIQGPVYVFYOUGG-DEOSSOPVSA-N 2 1 393.575 3.847 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000109660824 836461071 /nfs/dbraw/zinc/46/10/71/836461071.db2.gz GCIOEWYPCYYALT-DHIUTWEWSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC[N@H+]1C ZINC000155251538 836665211 /nfs/dbraw/zinc/66/52/11/836665211.db2.gz NFMKSDWJKWEOCC-CRAIPNDOSA-N 2 1 381.358 3.570 20 0 GHADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789746 836691841 /nfs/dbraw/zinc/69/18/41/836691841.db2.gz YOJZFSHCQCIGRH-FQEVSTJZSA-N 2 1 377.960 3.667 20 0 GHADMP CC[C@@H]1CCC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431684500 836794947 /nfs/dbraw/zinc/79/49/47/836794947.db2.gz FZVUPKPNRYLRQG-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP c1ccc(SCC[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000510238640 836921043 /nfs/dbraw/zinc/92/10/43/836921043.db2.gz PZKZTGXQSOECRC-OAQYLSRUSA-N 2 1 396.604 3.708 20 0 GHADMP CC[C@@H]1C[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC[C@H]1[NH3+] ZINC000647498314 837092995 /nfs/dbraw/zinc/09/29/95/837092995.db2.gz FALYYIGUFZUUGE-RDTXWAMCSA-N 2 1 377.330 3.502 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC[C@H]1[NH3+] ZINC000647498314 837093002 /nfs/dbraw/zinc/09/30/02/837093002.db2.gz FALYYIGUFZUUGE-RDTXWAMCSA-N 2 1 377.330 3.502 20 0 GHADMP CC[C@H]1C[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC[C@@H]1[NH3+] ZINC000647498313 837093073 /nfs/dbraw/zinc/09/30/73/837093073.db2.gz FALYYIGUFZUUGE-KSSFIOAISA-N 2 1 377.330 3.502 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC[C@@H]1[NH3+] ZINC000647498313 837093078 /nfs/dbraw/zinc/09/30/78/837093078.db2.gz FALYYIGUFZUUGE-KSSFIOAISA-N 2 1 377.330 3.502 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000655780394 837864988 /nfs/dbraw/zinc/86/49/88/837864988.db2.gz MNJMYILEWZGGMX-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000177358875 837920857 /nfs/dbraw/zinc/92/08/57/837920857.db2.gz JWCVVJOOSLSDBG-HSALFYBXSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@H]1c1cccs1 ZINC000659264026 838027643 /nfs/dbraw/zinc/02/76/43/838027643.db2.gz JFHYAONBFNKTDW-JQVVWYNYSA-N 2 1 397.588 3.940 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OCc1cccnc1 ZINC000377840480 838043689 /nfs/dbraw/zinc/04/36/89/838043689.db2.gz SHAVJBKLAQYEDW-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OCc1cccnc1 ZINC000377840480 838043701 /nfs/dbraw/zinc/04/37/01/838043701.db2.gz SHAVJBKLAQYEDW-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OCc1cccnc1 ZINC000377840480 838043717 /nfs/dbraw/zinc/04/37/17/838043717.db2.gz SHAVJBKLAQYEDW-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659284658 838208540 /nfs/dbraw/zinc/20/85/40/838208540.db2.gz LZZWPDDLHWKCLI-ILBGXUMGSA-N 2 1 389.543 3.736 20 0 GHADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1Cl ZINC000659291305 838215746 /nfs/dbraw/zinc/21/57/46/838215746.db2.gz GNPPSIVZGRJONI-KDOFPFPSSA-N 2 1 384.351 3.731 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415909920 838266692 /nfs/dbraw/zinc/26/66/92/838266692.db2.gz UURBCRZRKHSQCJ-LJQANCHMSA-N 2 1 380.536 3.924 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415912284 838267684 /nfs/dbraw/zinc/26/76/84/838267684.db2.gz LFABPFBAOSZFON-NQIIRXRSSA-N 2 1 380.536 3.923 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000659319242 838278533 /nfs/dbraw/zinc/27/85/33/838278533.db2.gz LLUOWCCTWUDHIO-RFWXGWTQSA-N 2 1 377.532 3.638 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415920299 838278735 /nfs/dbraw/zinc/27/87/35/838278735.db2.gz OPMRXKQYAUYOFJ-GHTZIAJQSA-N 2 1 380.536 3.828 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000415947054 838301628 /nfs/dbraw/zinc/30/16/28/838301628.db2.gz VNENIKCNRGPSNN-OAQYLSRUSA-N 2 1 380.536 3.755 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ncc(-c4ccccc4)n3C)CC2)nc(C)[nH+]1 ZINC000651243568 838346324 /nfs/dbraw/zinc/34/63/24/838346324.db2.gz GFNBFLLSMAPIQA-QGZVFWFLSA-N 2 1 390.535 3.814 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)N2CC[C@H](n3cnc4c3CCCC4)C2)cc1 ZINC000548011160 838460809 /nfs/dbraw/zinc/46/08/09/838460809.db2.gz YCBBUKKFQIBSCY-RDJZCZTQSA-N 2 1 384.549 3.758 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCCCCC1 ZINC000535713732 844331670 /nfs/dbraw/zinc/33/16/70/844331670.db2.gz QHXMJTAPXYHCMW-WRWLIDTKSA-N 2 1 395.950 3.853 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000397815650 838699529 /nfs/dbraw/zinc/69/95/29/838699529.db2.gz IAIGPHUIJFZOPC-UHFFFAOYSA-N 2 1 375.557 3.936 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868136 838744797 /nfs/dbraw/zinc/74/47/97/838744797.db2.gz JEDDIXAEHCQRBI-HNNXBMFYSA-N 2 1 381.948 3.648 20 0 GHADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549123198 838855499 /nfs/dbraw/zinc/85/54/99/838855499.db2.gz GSQPSJVKAXCVDP-XZOQPEGZSA-N 2 1 379.548 3.503 20 0 GHADMP C[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659973114 839031190 /nfs/dbraw/zinc/03/11/90/839031190.db2.gz MCDGDYCNDNTVLC-SIKLNZKXSA-N 2 1 395.572 3.943 20 0 GHADMP C[NH+](CC[C@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659973114 839031202 /nfs/dbraw/zinc/03/12/02/839031202.db2.gz MCDGDYCNDNTVLC-SIKLNZKXSA-N 2 1 395.572 3.943 20 0 GHADMP C[NH+](CC[C@H]1Sc2ccccc2NC1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659973114 839031212 /nfs/dbraw/zinc/03/12/12/839031212.db2.gz MCDGDYCNDNTVLC-SIKLNZKXSA-N 2 1 395.572 3.943 20 0 GHADMP CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000124757041 839196400 /nfs/dbraw/zinc/19/64/00/839196400.db2.gz IKEDOICGFRRWLE-UGKGYDQZSA-N 2 1 389.559 3.506 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000580308628 839223364 /nfs/dbraw/zinc/22/33/64/839223364.db2.gz OSOANBWBYNQEGD-NOZRDPDXSA-N 2 1 391.559 3.981 20 0 GHADMP [NH3+]C1(CNCc2csc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415134506 839250324 /nfs/dbraw/zinc/25/03/24/839250324.db2.gz OQDMBDXQOZDJKO-UHFFFAOYSA-N 2 1 394.382 3.594 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561447 839320234 /nfs/dbraw/zinc/32/02/34/839320234.db2.gz PUAYDWNOGLOVQR-QFIPXVFZSA-N 2 1 377.532 3.675 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561447 839320245 /nfs/dbraw/zinc/32/02/45/839320245.db2.gz PUAYDWNOGLOVQR-QFIPXVFZSA-N 2 1 377.532 3.675 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561447 839320258 /nfs/dbraw/zinc/32/02/58/839320258.db2.gz PUAYDWNOGLOVQR-QFIPXVFZSA-N 2 1 377.532 3.675 20 0 GHADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(Cl)cc1C(F)(F)F ZINC001143505521 839436320 /nfs/dbraw/zinc/43/63/20/839436320.db2.gz RQADZBCZRGFGQX-DLBZAZTESA-N 2 1 375.866 3.569 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C(F)(F)F)c1 ZINC000510326732 839508734 /nfs/dbraw/zinc/50/87/34/839508734.db2.gz YEEZWLHZKHOBEE-QRVBRYPASA-N 2 1 397.485 3.831 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C(F)(F)F)c1 ZINC000510326732 839508746 /nfs/dbraw/zinc/50/87/46/839508746.db2.gz YEEZWLHZKHOBEE-QRVBRYPASA-N 2 1 397.485 3.831 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)CCC[NH3+])cc1)C[C@@H]1CCCCO1 ZINC000415405142 839715985 /nfs/dbraw/zinc/71/59/85/839715985.db2.gz MPNTVOGRYDHBAK-RXVVDRJESA-N 2 1 390.572 3.715 20 0 GHADMP CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000415407743 839733707 /nfs/dbraw/zinc/73/37/07/839733707.db2.gz QANZEYWQMPAJOE-SFTDATJTSA-N 2 1 390.572 3.571 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000580554484 839800867 /nfs/dbraw/zinc/80/08/67/839800867.db2.gz XCGOUTVYNUHYBL-YVWKXTFCSA-N 2 1 378.969 3.978 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000580554484 839800873 /nfs/dbraw/zinc/80/08/73/839800873.db2.gz XCGOUTVYNUHYBL-YVWKXTFCSA-N 2 1 378.969 3.978 20 0 GHADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)c2C1 ZINC000415463151 839801914 /nfs/dbraw/zinc/80/19/14/839801914.db2.gz JEWQZQITWYCXKK-HZPDHXFCSA-N 2 1 394.519 3.644 20 0 GHADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)c2C1 ZINC000415463148 839801982 /nfs/dbraw/zinc/80/19/82/839801982.db2.gz JEWQZQITWYCXKK-CVEARBPZSA-N 2 1 394.519 3.644 20 0 GHADMP CCOc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000644569838 839811712 /nfs/dbraw/zinc/81/17/12/839811712.db2.gz FGOJYKQLEUSWHZ-UGKGYDQZSA-N 2 1 398.547 3.640 20 0 GHADMP CCN(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418426281 840197914 /nfs/dbraw/zinc/19/79/14/840197914.db2.gz JGXHHVYBJPPLBH-BWAGFHJFSA-N 2 1 380.536 3.553 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418469084 840280111 /nfs/dbraw/zinc/28/01/11/840280111.db2.gz BEUHUHBPBWFPIY-UGKGYDQZSA-N 2 1 394.563 3.760 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418469083 840280267 /nfs/dbraw/zinc/28/02/67/840280267.db2.gz BEUHUHBPBWFPIY-SIKLNZKXSA-N 2 1 394.563 3.760 20 0 GHADMP CC[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000417009082 840364052 /nfs/dbraw/zinc/36/40/52/840364052.db2.gz JWURGYAMEXBNBF-PKTZIBPZSA-N 2 1 394.563 3.603 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000607166563 844538454 /nfs/dbraw/zinc/53/84/54/844538454.db2.gz JSLYEUFRRPDYHH-SOUVJXGZSA-N 2 1 375.340 3.538 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417026804 840384883 /nfs/dbraw/zinc/38/48/83/840384883.db2.gz LTTUKUZEXJRXRA-LJQANCHMSA-N 2 1 380.536 3.529 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000417026804 840384892 /nfs/dbraw/zinc/38/48/92/840384892.db2.gz LTTUKUZEXJRXRA-LJQANCHMSA-N 2 1 380.536 3.529 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000607166563 844538458 /nfs/dbraw/zinc/53/84/58/844538458.db2.gz JSLYEUFRRPDYHH-SOUVJXGZSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000607166563 844538462 /nfs/dbraw/zinc/53/84/62/844538462.db2.gz JSLYEUFRRPDYHH-SOUVJXGZSA-N 2 1 375.340 3.538 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000625431114 840465850 /nfs/dbraw/zinc/46/58/50/840465850.db2.gz ZUAULYVHDWRKGR-XZOQPEGZSA-N 2 1 383.580 3.525 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1)C1CC1 ZINC000511698391 840514613 /nfs/dbraw/zinc/51/46/13/840514613.db2.gz YXWPNLOAKPYCRZ-UHFFFAOYSA-N 2 1 397.588 3.733 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1)C1CC1 ZINC000511698391 840514616 /nfs/dbraw/zinc/51/46/16/840514616.db2.gz YXWPNLOAKPYCRZ-UHFFFAOYSA-N 2 1 397.588 3.733 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000581092174 840683230 /nfs/dbraw/zinc/68/32/30/840683230.db2.gz XUVAEYYUQYCTDL-AGILITTLSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000581092174 840683234 /nfs/dbraw/zinc/68/32/34/840683234.db2.gz XUVAEYYUQYCTDL-AGILITTLSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000581092174 840683238 /nfs/dbraw/zinc/68/32/38/840683238.db2.gz XUVAEYYUQYCTDL-AGILITTLSA-N 2 1 391.559 3.993 20 0 GHADMP CN(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807603 840815816 /nfs/dbraw/zinc/81/58/16/840815816.db2.gz NOFZZLUKCXGUSP-JOCHJYFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807603 840815825 /nfs/dbraw/zinc/81/58/25/840815825.db2.gz NOFZZLUKCXGUSP-JOCHJYFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807603 840815836 /nfs/dbraw/zinc/81/58/36/840815836.db2.gz NOFZZLUKCXGUSP-JOCHJYFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[NH+](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807603 840815841 /nfs/dbraw/zinc/81/58/41/840815841.db2.gz NOFZZLUKCXGUSP-JOCHJYFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807603 840815849 /nfs/dbraw/zinc/81/58/49/840815849.db2.gz NOFZZLUKCXGUSP-JOCHJYFZSA-N 2 1 379.548 3.535 20 0 GHADMP O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674060 841087039 /nfs/dbraw/zinc/08/70/39/841087039.db2.gz LMDLYPDOJKKQEW-NOZRDPDXSA-N 2 1 394.559 3.696 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH2+]C2CCCCCC2)[C@@H]1c1cccs1 ZINC000417744510 841171936 /nfs/dbraw/zinc/17/19/36/841171936.db2.gz YRYAJTUYLQGKJM-FXAWDEMLSA-N 2 1 392.613 3.743 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417882607 841243707 /nfs/dbraw/zinc/24/37/07/841243707.db2.gz VNRVNHGXZYFVGP-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000319153651 841272117 /nfs/dbraw/zinc/27/21/17/841272117.db2.gz JRUUFFKKJNHNIG-LBPRGKRZSA-N 2 1 381.236 3.779 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417979215 841350694 /nfs/dbraw/zinc/35/06/94/841350694.db2.gz FEQWNQXQOXBANL-MSOLQXFVSA-N 2 1 398.954 3.629 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417979215 841350702 /nfs/dbraw/zinc/35/07/02/841350702.db2.gz FEQWNQXQOXBANL-MSOLQXFVSA-N 2 1 398.954 3.629 20 0 GHADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417991753 841360421 /nfs/dbraw/zinc/36/04/21/841360421.db2.gz LLOHHCZPVRWDOE-XWIAVFTESA-N 2 1 398.954 3.820 20 0 GHADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417991753 841360431 /nfs/dbraw/zinc/36/04/31/841360431.db2.gz LLOHHCZPVRWDOE-XWIAVFTESA-N 2 1 398.954 3.820 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000660338894 841450594 /nfs/dbraw/zinc/45/05/94/841450594.db2.gz MOOSPVXSVYLDFA-ICSRJNTNSA-N 2 1 392.613 3.552 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000600184143 861207189 /nfs/dbraw/zinc/20/71/89/861207189.db2.gz GMUFHYUQDLPMTQ-JOCHJYFZSA-N 2 1 378.516 3.689 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000600184143 861207206 /nfs/dbraw/zinc/20/72/06/861207206.db2.gz GMUFHYUQDLPMTQ-JOCHJYFZSA-N 2 1 378.516 3.689 20 0 GHADMP C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000581487248 841534176 /nfs/dbraw/zinc/53/41/76/841534176.db2.gz BPIQWRKEZZRVQV-MHXAIHSWSA-N 2 1 379.548 3.739 20 0 GHADMP CCc1cc2c(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc(=O)oc2cc1O ZINC000185713172 861222293 /nfs/dbraw/zinc/22/22/93/861222293.db2.gz NENBDXLDUKPCAX-DOTOQJQBSA-N 2 1 384.520 3.804 20 0 GHADMP CCc1cc2c(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc(=O)oc2cc1O ZINC000185713172 861222312 /nfs/dbraw/zinc/22/23/12/861222312.db2.gz NENBDXLDUKPCAX-DOTOQJQBSA-N 2 1 384.520 3.804 20 0 GHADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000651817712 841649499 /nfs/dbraw/zinc/64/94/99/841649499.db2.gz XVZLORFROVVNPP-VXKWHMMOSA-N 2 1 388.596 3.956 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000661514908 841833389 /nfs/dbraw/zinc/83/33/89/841833389.db2.gz UGRVIPIICOYCSS-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000652032211 841889612 /nfs/dbraw/zinc/88/96/12/841889612.db2.gz FCIZXTIIWWDECP-FUHWJXTLSA-N 2 1 388.581 3.747 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000652032211 841889621 /nfs/dbraw/zinc/88/96/21/841889621.db2.gz FCIZXTIIWWDECP-FUHWJXTLSA-N 2 1 388.581 3.747 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccccn3)cc2)C1 ZINC000647171722 841953350 /nfs/dbraw/zinc/95/33/50/841953350.db2.gz UBYODBRTZABRAI-LJQANCHMSA-N 2 1 375.520 3.789 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001167823986 842013809 /nfs/dbraw/zinc/01/38/09/842013809.db2.gz GBLZRCPBQOYOGB-JMJGKCIBSA-N 2 1 396.616 3.562 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000623637848 861261135 /nfs/dbraw/zinc/26/11/35/861261135.db2.gz MWBUOUVWVIDOLP-QUCCMNQESA-N 2 1 396.522 3.586 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000623637848 861261144 /nfs/dbraw/zinc/26/11/44/861261144.db2.gz MWBUOUVWVIDOLP-QUCCMNQESA-N 2 1 396.522 3.586 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1C ZINC001266801594 842034077 /nfs/dbraw/zinc/03/40/77/842034077.db2.gz FTGIEGYMUKMGRV-CDPNLFKUSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1C ZINC001266801594 842034087 /nfs/dbraw/zinc/03/40/87/842034087.db2.gz FTGIEGYMUKMGRV-CDPNLFKUSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1C ZINC001266801594 842034092 /nfs/dbraw/zinc/03/40/92/842034092.db2.gz FTGIEGYMUKMGRV-CDPNLFKUSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001167825763 842049543 /nfs/dbraw/zinc/04/95/43/842049543.db2.gz TXINHZDOBVIZAE-JRFVFWCSSA-N 2 1 387.612 3.515 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001167826908 842063406 /nfs/dbraw/zinc/06/34/06/842063406.db2.gz ZKKWNOXHJXZUIK-NFBKMPQASA-N 2 1 386.584 3.549 20 0 GHADMP Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000432343048 842107323 /nfs/dbraw/zinc/10/73/23/842107323.db2.gz QLRRPOUZUYLNCQ-UHFFFAOYSA-N 2 1 378.586 3.717 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CCCO1 ZINC000432356030 842156686 /nfs/dbraw/zinc/15/66/86/842156686.db2.gz HBWVQGSEYAIGCA-LJQANCHMSA-N 2 1 378.520 3.616 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)C1 ZINC000652347886 842319905 /nfs/dbraw/zinc/31/99/05/842319905.db2.gz NXFNZFVXAOQQQM-SUMDDJOVSA-N 2 1 375.900 3.713 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000178038029 861296690 /nfs/dbraw/zinc/29/66/90/861296690.db2.gz SSPXSMPLSJFFPA-KDURUIRLSA-N 2 1 394.003 3.783 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000652361164 842369143 /nfs/dbraw/zinc/36/91/43/842369143.db2.gz YYJCOEGEDGXGNW-FGTMMUONSA-N 2 1 375.900 3.856 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000652362460 842370118 /nfs/dbraw/zinc/37/01/18/842370118.db2.gz HUOFXOJRPOWQKA-KBRIMQKVSA-N 2 1 383.323 3.502 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000652362460 842370128 /nfs/dbraw/zinc/37/01/28/842370128.db2.gz HUOFXOJRPOWQKA-KBRIMQKVSA-N 2 1 383.323 3.502 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000623657849 861304093 /nfs/dbraw/zinc/30/40/93/861304093.db2.gz AQTOKJHPGPJPLJ-QFIPXVFZSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000623657849 861304110 /nfs/dbraw/zinc/30/41/10/861304110.db2.gz AQTOKJHPGPJPLJ-QFIPXVFZSA-N 2 1 397.567 3.524 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@H]1CCC[NH2+]C1 ZINC000430697289 842764103 /nfs/dbraw/zinc/76/41/03/842764103.db2.gz AVGNJMWGYWJMEX-SFLYRZDNSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(Br)cs3)CC2)C[C@@H](C)O1 ZINC000512179450 842781091 /nfs/dbraw/zinc/78/10/91/842781091.db2.gz MLQXABQNNOWGMB-ZIAGYGMSSA-N 2 1 387.387 3.832 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606623172 842816433 /nfs/dbraw/zinc/81/64/33/842816433.db2.gz BJGMAVWHZKRQLD-IBGZPJMESA-N 2 1 390.597 3.545 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000430789903 842988059 /nfs/dbraw/zinc/98/80/59/842988059.db2.gz YPVBGUGGGMKPFX-WYADAEROSA-N 2 1 381.520 3.570 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000430789903 842988068 /nfs/dbraw/zinc/98/80/68/842988068.db2.gz YPVBGUGGGMKPFX-WYADAEROSA-N 2 1 381.520 3.570 20 0 GHADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000662251631 843018957 /nfs/dbraw/zinc/01/89/57/843018957.db2.gz GUILAJPELOISBL-WOJBJXKFSA-N 2 1 377.315 3.729 20 0 GHADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254634 843025313 /nfs/dbraw/zinc/02/53/13/843025313.db2.gz QZZSRGKVIHLTPQ-HXUWFJFHSA-N 2 1 387.499 3.646 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1ccccc1Cl ZINC000430845820 843067980 /nfs/dbraw/zinc/06/79/80/843067980.db2.gz RKLYWMPCBZXYKO-OAQYLSRUSA-N 2 1 398.938 3.676 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295185 843086471 /nfs/dbraw/zinc/08/64/71/843086471.db2.gz FTTIURXALJASOL-ZBFHGGJFSA-N 2 1 383.458 3.744 20 0 GHADMP CCC1(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000510643472 843117182 /nfs/dbraw/zinc/11/71/82/843117182.db2.gz FOYOYQDQEUHOHZ-HXUWFJFHSA-N 2 1 398.595 3.628 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182303331 843165501 /nfs/dbraw/zinc/16/55/01/843165501.db2.gz UFEXOWXGLDNUDT-XZOQPEGZSA-N 2 1 398.595 3.544 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c2C)cc1 ZINC000663345870 843259444 /nfs/dbraw/zinc/25/94/44/843259444.db2.gz NDJRBOIWWQJPBC-JOCHJYFZSA-N 2 1 396.579 3.768 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c2C)cc1 ZINC000663345870 843259453 /nfs/dbraw/zinc/25/94/53/843259453.db2.gz NDJRBOIWWQJPBC-JOCHJYFZSA-N 2 1 396.579 3.768 20 0 GHADMP COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)n2)cc1 ZINC000178711291 861400928 /nfs/dbraw/zinc/40/09/28/861400928.db2.gz GVZWOJPZEJMMFH-SFHVURJKSA-N 2 1 394.519 3.672 20 0 GHADMP FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000119413420 843315056 /nfs/dbraw/zinc/31/50/56/843315056.db2.gz QMMFIYQXYVPDEI-LLVKDONJSA-N 2 1 375.257 3.624 20 0 GHADMP FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000119413420 843315070 /nfs/dbraw/zinc/31/50/70/843315070.db2.gz QMMFIYQXYVPDEI-LLVKDONJSA-N 2 1 375.257 3.624 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000066187492 843355686 /nfs/dbraw/zinc/35/56/86/843355686.db2.gz KJIIIMKUKBYNLD-HSZRJFAPSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000431017572 843434978 /nfs/dbraw/zinc/43/49/78/843434978.db2.gz RFTYTONZGFAPAD-JBYIUTFZSA-N 2 1 381.520 3.682 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000673704973 861426938 /nfs/dbraw/zinc/42/69/38/861426938.db2.gz CFOUUCSDAZECGT-JOCHJYFZSA-N 2 1 388.600 3.707 20 0 GHADMP CN(C(=O)c1coc(C(F)F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000626262179 843555596 /nfs/dbraw/zinc/55/55/96/843555596.db2.gz XUSUESYARBSMDV-IRXDYDNUSA-N 2 1 383.483 3.626 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418730580 843578807 /nfs/dbraw/zinc/57/88/07/843578807.db2.gz SNGRXNVQJONXFE-YPAWHYETSA-N 2 1 386.584 3.590 20 0 GHADMP CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000431096104 843590281 /nfs/dbraw/zinc/59/02/81/843590281.db2.gz IHFVDTXKXVUOID-HSZRJFAPSA-N 2 1 397.588 3.686 20 0 GHADMP CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000431096104 843590285 /nfs/dbraw/zinc/59/02/85/843590285.db2.gz IHFVDTXKXVUOID-HSZRJFAPSA-N 2 1 397.588 3.686 20 0 GHADMP C[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182401489 843736470 /nfs/dbraw/zinc/73/64/70/843736470.db2.gz JPKZNKVQFGTTBS-MOPGFXCFSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401489 843736482 /nfs/dbraw/zinc/73/64/82/843736482.db2.gz JPKZNKVQFGTTBS-MOPGFXCFSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401489 843736493 /nfs/dbraw/zinc/73/64/93/843736493.db2.gz JPKZNKVQFGTTBS-MOPGFXCFSA-N 2 1 378.605 3.593 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1)C1CCOCC1 ZINC000237205287 843918484 /nfs/dbraw/zinc/91/84/84/843918484.db2.gz WIQWUYVHXBZLGH-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCCCOc4ccccc4)CC3)C2)cc1 ZINC000512475766 843949845 /nfs/dbraw/zinc/94/98/45/843949845.db2.gz VRTVXIKDOPRWEM-XMMPIXPASA-N 2 1 393.575 3.738 20 0 GHADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc3c(cccc3O)s2)c2ccccc2)CC1 ZINC000894139492 843998667 /nfs/dbraw/zinc/99/86/67/843998667.db2.gz WHKQYKDRWSGESM-FQEVSTJZSA-N 2 1 381.545 3.685 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)NC1CCCCC1 ZINC000512621177 844765680 /nfs/dbraw/zinc/76/56/80/844765680.db2.gz VGTCXSDSQOAKIA-ACIOBRDBSA-N 2 1 383.580 3.716 20 0 GHADMP c1cc2c(cc[nH+]c2NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[nH]1 ZINC000663942236 845071531 /nfs/dbraw/zinc/07/15/31/845071531.db2.gz RKUCQDBHOVPQRZ-IBGZPJMESA-N 2 1 376.504 3.904 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC000433055973 845076301 /nfs/dbraw/zinc/07/63/01/845076301.db2.gz GHDLUUOGDSYSER-UHFFFAOYSA-N 2 1 392.547 3.707 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000458840322 845187612 /nfs/dbraw/zinc/18/76/12/845187612.db2.gz DRDDWUFTUAYEBI-UHFFFAOYSA-N 2 1 378.605 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[N@@H+]1C ZINC000411321757 845289875 /nfs/dbraw/zinc/28/98/75/845289875.db2.gz CNCUHNNCXMWLHP-JUXOCIIHSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[N@H+]1C ZINC000411321757 845289882 /nfs/dbraw/zinc/28/98/82/845289882.db2.gz CNCUHNNCXMWLHP-JUXOCIIHSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[NH+]1C ZINC000411321757 845289893 /nfs/dbraw/zinc/28/98/93/845289893.db2.gz CNCUHNNCXMWLHP-JUXOCIIHSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[NH+]1C ZINC000411321757 845289902 /nfs/dbraw/zinc/28/99/02/845289902.db2.gz CNCUHNNCXMWLHP-JUXOCIIHSA-N 2 1 385.577 3.758 20 0 GHADMP COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000513487830 845519967 /nfs/dbraw/zinc/51/99/67/845519967.db2.gz KPCKMSVXLZAAED-UYAOXDASSA-N 2 1 396.531 3.857 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000513495402 845529251 /nfs/dbraw/zinc/52/92/51/845529251.db2.gz PLCUCNOVOLJJOL-FPOVZHCZSA-N 2 1 389.547 3.872 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000277340620 845800814 /nfs/dbraw/zinc/80/08/14/845800814.db2.gz AZFRPSFVTJMZSQ-UHFFFAOYSA-N 2 1 394.401 3.702 20 0 GHADMP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1Cl ZINC000179509308 861608355 /nfs/dbraw/zinc/60/83/55/861608355.db2.gz ODOTWBZKVCLOMH-CQSZACIVSA-N 2 1 393.915 3.543 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1S(C)(=O)=O ZINC000157531384 845994332 /nfs/dbraw/zinc/99/43/32/845994332.db2.gz JETVNTDPSIKZLV-MRXNPFEDSA-N 2 1 394.581 3.546 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(-c4ccccn4)c3)CC2)CC1 ZINC000421369841 846181593 /nfs/dbraw/zinc/18/15/93/846181593.db2.gz IACTWBKIJJTEMX-UHFFFAOYSA-N 2 1 378.564 3.741 20 0 GHADMP OCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513655051 846197081 /nfs/dbraw/zinc/19/70/81/846197081.db2.gz KRZVFTXDCYGPSA-ZKMPZPQNSA-N 2 1 394.559 3.838 20 0 GHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000513666648 846232787 /nfs/dbraw/zinc/23/27/87/846232787.db2.gz MWGVYOHEFRIYAZ-ZBLHWPFVSA-N 2 1 393.531 3.825 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000157903700 846241186 /nfs/dbraw/zinc/24/11/86/846241186.db2.gz ZLLCCUULUAFWOV-ROUUACIJSA-N 2 1 391.556 3.523 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(C)cc(Cl)cc3C)CC2)CC1 ZINC000513685276 846242229 /nfs/dbraw/zinc/24/22/29/846242229.db2.gz YIABLNYDMWXJCU-UHFFFAOYSA-N 2 1 391.987 3.723 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000673767208 861678167 /nfs/dbraw/zinc/67/81/67/861678167.db2.gz DEFMSBIQWPDDMQ-NZQKXSOJSA-N 2 1 394.563 3.595 20 0 GHADMP CC(C)c1cccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501029627 846547635 /nfs/dbraw/zinc/54/76/35/846547635.db2.gz SXTJLBVUJZWYRL-UHFFFAOYSA-N 2 1 380.536 3.992 20 0 GHADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063320 846595008 /nfs/dbraw/zinc/59/50/08/846595008.db2.gz NXMPLGPKXPBOGL-QFIPXVFZSA-N 2 1 396.535 3.656 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000501100167 846643136 /nfs/dbraw/zinc/64/31/36/846643136.db2.gz HLADRHGQQAJICV-ROUUACIJSA-N 2 1 382.017 3.923 20 0 GHADMP COC(=O)[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccc(F)cc1 ZINC000161187155 846659488 /nfs/dbraw/zinc/65/94/88/846659488.db2.gz FWCWYGQQZWPFJO-QFIPXVFZSA-N 2 1 399.510 3.930 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CCN3c3ncccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044552 861711327 /nfs/dbraw/zinc/71/13/27/861711327.db2.gz FNUJQAOHKGTRHH-DAVFGYKESA-N 2 1 391.563 3.573 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044552 861711334 /nfs/dbraw/zinc/71/13/34/861711334.db2.gz FNUJQAOHKGTRHH-DAVFGYKESA-N 2 1 391.563 3.573 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044552 861711339 /nfs/dbraw/zinc/71/13/39/861711339.db2.gz FNUJQAOHKGTRHH-DAVFGYKESA-N 2 1 391.563 3.573 20 0 GHADMP CCN1CCO[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000419733565 846754324 /nfs/dbraw/zinc/75/43/24/846754324.db2.gz UGWZGOULXAWSAL-ZEQRLZLVSA-N 2 1 385.596 3.835 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@@H+]1C ZINC000389226842 861716070 /nfs/dbraw/zinc/71/60/70/861716070.db2.gz WOSRDFQRRPYIML-JQWIXIFHSA-N 2 1 381.236 3.920 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@H+]1C ZINC000389226842 861716082 /nfs/dbraw/zinc/71/60/82/861716082.db2.gz WOSRDFQRRPYIML-JQWIXIFHSA-N 2 1 381.236 3.920 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000419914688 846882195 /nfs/dbraw/zinc/88/21/95/846882195.db2.gz BOJNEMLSBUNCBU-LJQANCHMSA-N 2 1 386.584 3.922 20 0 GHADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000501419525 846915550 /nfs/dbraw/zinc/91/55/50/846915550.db2.gz HCSAFMVWPWGCIC-UHFFFAOYSA-N 2 1 381.564 3.685 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657399367 846951741 /nfs/dbraw/zinc/95/17/41/846951741.db2.gz IBRCDNPREZBUEE-FGZHOGPDSA-N 2 1 399.510 3.871 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000125039669 847098469 /nfs/dbraw/zinc/09/84/69/847098469.db2.gz YVSOBVQQYZFZNQ-QZTJIDSGSA-N 2 1 376.508 3.539 20 0 GHADMP CCc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272587383 847117692 /nfs/dbraw/zinc/11/76/92/847117692.db2.gz HHXCGICKWATYAF-QHCPKHFHSA-N 2 1 398.572 3.593 20 0 GHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1SC ZINC000272740614 847160486 /nfs/dbraw/zinc/16/04/86/847160486.db2.gz KWKPTCDQNADHJB-UZLBHIALSA-N 2 1 386.561 3.835 20 0 GHADMP C[C@@H]1CCN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c2ccccc2S1 ZINC000501814347 847235051 /nfs/dbraw/zinc/23/50/51/847235051.db2.gz JFVBPFLXEMRHTB-GOSISDBHSA-N 2 1 389.609 3.958 20 0 GHADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000420767212 847434392 /nfs/dbraw/zinc/43/43/92/847434392.db2.gz UJRIYMJNRYICJJ-QFIPXVFZSA-N 2 1 394.563 3.651 20 0 GHADMP O=C(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000513785010 847555796 /nfs/dbraw/zinc/55/57/96/847555796.db2.gz DEBBHDSGPSFRTC-UHFFFAOYSA-N 2 1 387.543 3.703 20 0 GHADMP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420959128 847579443 /nfs/dbraw/zinc/57/94/43/847579443.db2.gz FULIYFKJJZGWJM-QFIPXVFZSA-N 2 1 396.531 3.571 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 ZINC000421029358 847628888 /nfs/dbraw/zinc/62/88/88/847628888.db2.gz CIKYLXUFOAGANO-UHFFFAOYSA-N 2 1 398.473 3.729 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503474355 847726608 /nfs/dbraw/zinc/72/66/08/847726608.db2.gz PSLJGSSUOUPAAB-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422631211 847741498 /nfs/dbraw/zinc/74/14/98/847741498.db2.gz FGYIORPNDZLFAL-NIRMNWTQSA-N 2 1 385.577 3.649 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)CC1 ZINC000421104572 847747165 /nfs/dbraw/zinc/74/71/65/847747165.db2.gz ZRMLSOHQRRIZDS-UHFFFAOYSA-N 2 1 394.510 3.822 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)CC1 ZINC000421104572 847747171 /nfs/dbraw/zinc/74/71/71/847747171.db2.gz ZRMLSOHQRRIZDS-UHFFFAOYSA-N 2 1 394.510 3.822 20 0 GHADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422835206 847846499 /nfs/dbraw/zinc/84/64/99/847846499.db2.gz YHOJCKLFDVGWEO-PBHICJAKSA-N 2 1 382.426 3.684 20 0 GHADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422835214 847846675 /nfs/dbraw/zinc/84/66/75/847846675.db2.gz YHOJCKLFDVGWEO-RHSMWYFYSA-N 2 1 382.426 3.684 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000422835349 847847526 /nfs/dbraw/zinc/84/75/26/847847526.db2.gz IKRKHGSCLXCQLM-RKQHTQASSA-N 2 1 391.559 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCN1Cc1ccccc1 ZINC000422835349 847847530 /nfs/dbraw/zinc/84/75/30/847847530.db2.gz IKRKHGSCLXCQLM-RKQHTQASSA-N 2 1 391.559 3.885 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000503734996 847927887 /nfs/dbraw/zinc/92/78/87/847927887.db2.gz KJQHIKNYJNFEKD-UGKGYDQZSA-N 2 1 394.563 3.814 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000503734996 847927892 /nfs/dbraw/zinc/92/78/92/847927892.db2.gz KJQHIKNYJNFEKD-UGKGYDQZSA-N 2 1 394.563 3.814 20 0 GHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423084207 847971237 /nfs/dbraw/zinc/97/12/37/847971237.db2.gz HSDNBBONTUTJPI-DZGCQCFKSA-N 2 1 392.487 3.509 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccsc4)n3)cc2)C1 ZINC000657594673 848288890 /nfs/dbraw/zinc/28/88/90/848288890.db2.gz KGHXOYZVZSGIMS-IBGZPJMESA-N 2 1 385.558 3.728 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccsc4)n3)cc2)C1 ZINC000657594673 848288900 /nfs/dbraw/zinc/28/89/00/848288900.db2.gz KGHXOYZVZSGIMS-IBGZPJMESA-N 2 1 385.558 3.728 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000582782927 848363845 /nfs/dbraw/zinc/36/38/45/848363845.db2.gz GDTRGQUZJMMJKJ-QTWZMDIBSA-N 2 1 379.495 3.512 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000582782927 848363850 /nfs/dbraw/zinc/36/38/50/848363850.db2.gz GDTRGQUZJMMJKJ-QTWZMDIBSA-N 2 1 379.495 3.512 20 0 GHADMP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000604171041 861922892 /nfs/dbraw/zinc/92/28/92/861922892.db2.gz JOGZKVSUBFPAAH-SJBKTWHCSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000167307507 861942664 /nfs/dbraw/zinc/94/26/64/861942664.db2.gz KTLYUCLONIVYHS-AUSIDOKSSA-N 2 1 379.548 3.693 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(c4ccccc4)(C(C)C)C3)CC2)CC1 ZINC000582975703 848801597 /nfs/dbraw/zinc/80/15/97/848801597.db2.gz PIWQNLZJNLNFAT-UHFFFAOYSA-N 2 1 397.607 3.619 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000162250315 848873687 /nfs/dbraw/zinc/87/36/87/848873687.db2.gz VHSGTUANKXZHAB-GOSISDBHSA-N 2 1 375.520 3.891 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000472275998 848910065 /nfs/dbraw/zinc/91/00/65/848910065.db2.gz KOUXTEWTJWRLNY-CRAIPNDOSA-N 2 1 392.931 3.884 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000472275998 848910076 /nfs/dbraw/zinc/91/00/76/848910076.db2.gz KOUXTEWTJWRLNY-CRAIPNDOSA-N 2 1 392.931 3.884 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000673852011 861967348 /nfs/dbraw/zinc/96/73/48/861967348.db2.gz NURBMGLOICWVDT-UHFFFAOYSA-N 2 1 384.911 3.904 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000583196990 849308732 /nfs/dbraw/zinc/30/87/32/849308732.db2.gz YAKQNKRECVULEP-SFHVURJKSA-N 2 1 392.613 3.520 20 0 GHADMP COc1ccc(OC)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000162727030 849391600 /nfs/dbraw/zinc/39/16/00/849391600.db2.gz WNSNOGRKPKNCQQ-MRXNPFEDSA-N 2 1 387.524 3.871 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC ZINC000657751513 849613634 /nfs/dbraw/zinc/61/36/34/849613634.db2.gz RHHPCVGUCFQOMQ-HXUWFJFHSA-N 2 1 376.541 3.607 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC[N@H+]1C ZINC000503902880 849751047 /nfs/dbraw/zinc/75/10/47/849751047.db2.gz OWKRCZQRKGTJAP-PWSUYJOCSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000503902880 849751038 /nfs/dbraw/zinc/75/10/38/849751038.db2.gz OWKRCZQRKGTJAP-PWSUYJOCSA-N 2 1 378.685 3.517 20 0 GHADMP CCc1ccc([C@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000505543590 849827736 /nfs/dbraw/zinc/82/77/36/849827736.db2.gz TVSJZLHSCYXWDS-XMMPIXPASA-N 2 1 391.559 3.634 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H]([NH3+])c1ccccc1 ZINC000583439188 849907135 /nfs/dbraw/zinc/90/71/35/849907135.db2.gz BPZJJIAUYRYIDM-UGSOOPFHSA-N 2 1 390.325 3.785 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128304 849925480 /nfs/dbraw/zinc/92/54/80/849925480.db2.gz LMDQNIXJYCOEAZ-RTWAWAEBSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1csc(-c2ccccc2F)n1 ZINC000423501982 849946582 /nfs/dbraw/zinc/94/65/82/849946582.db2.gz BZHHJQUHZXNSJW-GTPINHCMSA-N 2 1 388.556 3.816 20 0 GHADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414747369 849947085 /nfs/dbraw/zinc/94/70/85/849947085.db2.gz RTRAPOFBMQNHHS-MOPGFXCFSA-N 2 1 395.547 3.552 20 0 GHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000522551506 862075287 /nfs/dbraw/zinc/07/52/87/862075287.db2.gz LIYFZBQJXCQONY-WMZOPIPTSA-N 2 1 385.474 3.748 20 0 GHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000522551506 862075299 /nfs/dbraw/zinc/07/52/99/862075299.db2.gz LIYFZBQJXCQONY-WMZOPIPTSA-N 2 1 385.474 3.748 20 0 GHADMP COC[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000423522434 849966574 /nfs/dbraw/zinc/96/65/74/849966574.db2.gz HIXZGNIDHKKEID-NRFANRHFSA-N 2 1 387.955 3.611 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760973 850058885 /nfs/dbraw/zinc/05/88/85/850058885.db2.gz ZNQOBJMOVVQAGR-QFBILLFUSA-N 2 1 397.485 3.820 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000504425918 850059741 /nfs/dbraw/zinc/05/97/41/850059741.db2.gz DKBWOQBKKQWANJ-HJNYFJLDSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)C[NH+]1CCCCC1 ZINC000518759892 850073104 /nfs/dbraw/zinc/07/31/04/850073104.db2.gz ZRGJSKVJNANGFS-HNNXBMFYSA-N 2 1 379.342 3.937 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896619 850093596 /nfs/dbraw/zinc/09/35/96/850093596.db2.gz GTSLCLSGXRYATE-VWNXMTODSA-N 2 1 391.559 3.575 20 0 GHADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CCC[NH+]3CCCCC3)C4)n2)cc1 ZINC000486832412 850137450 /nfs/dbraw/zinc/13/74/50/850137450.db2.gz MSIAARDKWCCNHU-NFBKMPQASA-N 2 1 380.536 3.966 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000504561000 850147041 /nfs/dbraw/zinc/14/70/41/850147041.db2.gz MQCBZGAQPCGBKO-OAQYLSRUSA-N 2 1 389.609 3.620 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c1 ZINC000669714475 862103847 /nfs/dbraw/zinc/10/38/47/862103847.db2.gz IXCOFLQHPGPPEE-SFHVURJKSA-N 2 1 391.519 3.998 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000514725759 850217754 /nfs/dbraw/zinc/21/77/54/850217754.db2.gz DEPTUOSUILBJBB-FQEVSTJZSA-N 2 1 390.531 3.778 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(OC)c1O ZINC000668713672 850265210 /nfs/dbraw/zinc/26/52/10/850265210.db2.gz XPKQAQDOZKJZBW-FQEVSTJZSA-N 2 1 396.531 3.801 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000894288431 850294038 /nfs/dbraw/zinc/29/40/38/850294038.db2.gz USZBJNBOHWSIGC-SJLPKXTDSA-N 2 1 379.570 3.588 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000894288431 850294045 /nfs/dbraw/zinc/29/40/45/850294045.db2.gz USZBJNBOHWSIGC-SJLPKXTDSA-N 2 1 379.570 3.588 20 0 GHADMP COc1ccc(C[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC000514817461 850343852 /nfs/dbraw/zinc/34/38/52/850343852.db2.gz FZQIZWYJKSEJED-UHFFFAOYSA-N 2 1 383.536 3.812 20 0 GHADMP COc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000514817461 850343864 /nfs/dbraw/zinc/34/38/64/850343864.db2.gz FZQIZWYJKSEJED-UHFFFAOYSA-N 2 1 383.536 3.812 20 0 GHADMP COc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000514817461 850343879 /nfs/dbraw/zinc/34/38/79/850343879.db2.gz FZQIZWYJKSEJED-UHFFFAOYSA-N 2 1 383.536 3.812 20 0 GHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000435374287 850423314 /nfs/dbraw/zinc/42/33/14/850423314.db2.gz PYVNKMVQMHCPHK-INIZCTEOSA-N 2 1 391.357 3.683 20 0 GHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000435374287 850423317 /nfs/dbraw/zinc/42/33/17/850423317.db2.gz PYVNKMVQMHCPHK-INIZCTEOSA-N 2 1 391.357 3.683 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435446405 850536637 /nfs/dbraw/zinc/53/66/37/850536637.db2.gz KCDWLYNEOLMFCR-QGZVFWFLSA-N 2 1 377.330 3.517 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435446405 850536640 /nfs/dbraw/zinc/53/66/40/850536640.db2.gz KCDWLYNEOLMFCR-QGZVFWFLSA-N 2 1 377.330 3.517 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(OC(F)F)c1 ZINC000415007899 850716597 /nfs/dbraw/zinc/71/65/97/850716597.db2.gz RWARMBVEFKQZJD-QFBILLFUSA-N 2 1 394.437 3.919 20 0 GHADMP O=C(CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000435624490 850720066 /nfs/dbraw/zinc/72/00/66/850720066.db2.gz FQKXFSLEWXVDEB-FQEVSTJZSA-N 2 1 386.927 3.708 20 0 GHADMP O=C(CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000435624490 850720071 /nfs/dbraw/zinc/72/00/71/850720071.db2.gz FQKXFSLEWXVDEB-FQEVSTJZSA-N 2 1 386.927 3.708 20 0 GHADMP Cc1ccc(SCC[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435683874 850748920 /nfs/dbraw/zinc/74/89/20/850748920.db2.gz SMSASQDJMADHFJ-FQEVSTJZSA-N 2 1 384.593 3.773 20 0 GHADMP Cc1ccc(SCC[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435683874 850748929 /nfs/dbraw/zinc/74/89/29/850748929.db2.gz SMSASQDJMADHFJ-FQEVSTJZSA-N 2 1 384.593 3.773 20 0 GHADMP Clc1ccccc1OCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688023 850752881 /nfs/dbraw/zinc/75/28/81/850752881.db2.gz LGHATTSMYFREIK-KRWDZBQOSA-N 2 1 377.941 3.820 20 0 GHADMP Clc1ccccc1OCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688023 850752888 /nfs/dbraw/zinc/75/28/88/850752888.db2.gz LGHATTSMYFREIK-KRWDZBQOSA-N 2 1 377.941 3.820 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000519206184 850759899 /nfs/dbraw/zinc/75/98/99/850759899.db2.gz OWRSJJCBNFNXDM-OFNKIYASSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000487782207 850886683 /nfs/dbraw/zinc/88/66/83/850886683.db2.gz LIGRDNNNQIOEHI-CVDCTZTESA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C2CC2)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000519390996 850997281 /nfs/dbraw/zinc/99/72/81/850997281.db2.gz PJKLMGVJHDQAQT-QHCPKHFHSA-N 2 1 399.579 3.745 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000514212743 851393926 /nfs/dbraw/zinc/39/39/26/851393926.db2.gz AAVLXWFYYPGSHP-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683817 851491057 /nfs/dbraw/zinc/49/10/57/851491057.db2.gz INUDRDGUDMXOMT-MSOLQXFVSA-N 2 1 392.547 3.765 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000048816581 851498557 /nfs/dbraw/zinc/49/85/57/851498557.db2.gz TVGANTGPIYOWSQ-HDICACEKSA-N 2 1 384.520 3.603 20 0 GHADMP CCC[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000180644309 862264608 /nfs/dbraw/zinc/26/46/08/862264608.db2.gz BZLZFOKARNHKFV-QFIPXVFZSA-N 2 1 397.567 3.668 20 0 GHADMP CCC[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000180644309 862264625 /nfs/dbraw/zinc/26/46/25/862264625.db2.gz BZLZFOKARNHKFV-QFIPXVFZSA-N 2 1 397.567 3.668 20 0 GHADMP C[C@@H](c1nccc(N)n1)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838592 851881755 /nfs/dbraw/zinc/88/17/55/851881755.db2.gz VBCPNSHNSZOWSN-UWJYYQICSA-N 2 1 379.552 3.742 20 0 GHADMP C[C@@H](c1nccc(N)n1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838592 851881764 /nfs/dbraw/zinc/88/17/64/851881764.db2.gz VBCPNSHNSZOWSN-UWJYYQICSA-N 2 1 379.552 3.742 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)cc1 ZINC000180727692 862300055 /nfs/dbraw/zinc/30/00/55/862300055.db2.gz BXZZQRTXYHQGKX-MRXNPFEDSA-N 2 1 380.467 3.791 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)c1 ZINC000489185175 852099462 /nfs/dbraw/zinc/09/94/62/852099462.db2.gz NUNZKNNXSJFWQY-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000489185175 852099465 /nfs/dbraw/zinc/09/94/65/852099465.db2.gz NUNZKNNXSJFWQY-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000489185175 852099472 /nfs/dbraw/zinc/09/94/72/852099472.db2.gz NUNZKNNXSJFWQY-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000473815516 852148870 /nfs/dbraw/zinc/14/88/70/852148870.db2.gz DCUMZVVUEZZIFB-WHLIWEHUSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000473815516 852148875 /nfs/dbraw/zinc/14/88/75/852148875.db2.gz DCUMZVVUEZZIFB-WHLIWEHUSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000473815516 852148884 /nfs/dbraw/zinc/14/88/84/852148884.db2.gz DCUMZVVUEZZIFB-WHLIWEHUSA-N 2 1 383.580 3.762 20 0 GHADMP C[NH+](C)CCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC000625553532 862325979 /nfs/dbraw/zinc/32/59/79/862325979.db2.gz GHSSBDJRQSUJSY-ILBGXUMGSA-N 2 1 393.575 3.534 20 0 GHADMP Cn1c2ccccc2nc1CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000517623618 852165621 /nfs/dbraw/zinc/16/56/21/852165621.db2.gz CIPIIPNZWNZEJJ-UHFFFAOYSA-N 2 1 376.548 3.960 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000180770501 862330562 /nfs/dbraw/zinc/33/05/62/862330562.db2.gz UQPRLCXBSXIEBE-FOIQADDNSA-N 2 1 378.451 3.776 20 0 GHADMP Brc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc2c1OCCO2 ZINC000506942664 852348463 /nfs/dbraw/zinc/34/84/63/852348463.db2.gz CKAYPXALEWSHBN-UHFFFAOYSA-N 2 1 395.341 3.528 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489645062 852506085 /nfs/dbraw/zinc/50/60/85/852506085.db2.gz DDYJHZICQCZRAQ-LJQANCHMSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000489790118 852587494 /nfs/dbraw/zinc/58/74/94/852587494.db2.gz RQEUUZJZEKKGHY-QIJUGHKUSA-N 2 1 386.584 3.733 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC(CC[NH3+])CC2)n1 ZINC000516476089 852606804 /nfs/dbraw/zinc/60/68/04/852606804.db2.gz OICVPYXXNBTSFM-UHFFFAOYSA-N 2 1 395.576 3.985 20 0 GHADMP CCOc1cc2[nH+]ccc(N3CC[NH+](Cc4cccnc4)CC3)c2cc1OCC ZINC000517928412 852628468 /nfs/dbraw/zinc/62/84/68/852628468.db2.gz HNLSICGVXVPFOG-UHFFFAOYSA-N 2 1 392.503 3.749 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000507193490 852664571 /nfs/dbraw/zinc/66/45/71/852664571.db2.gz OEMWNDPLSPJVLA-IBGZPJMESA-N 2 1 393.522 3.523 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000516573021 852741309 /nfs/dbraw/zinc/74/13/09/852741309.db2.gz UIGGBDAGCXNUNT-FQEVSTJZSA-N 2 1 391.437 3.799 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000414898752 852786450 /nfs/dbraw/zinc/78/64/50/852786450.db2.gz BYCJFCMCSJSDFY-IYARVYRRSA-N 2 1 383.540 3.941 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414945851 852790512 /nfs/dbraw/zinc/79/05/12/852790512.db2.gz SIUJKIUJDFULCX-RDTXWAMCSA-N 2 1 391.357 3.846 20 0 GHADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516650051 852839711 /nfs/dbraw/zinc/83/97/11/852839711.db2.gz JCXIFCPEQBEQEU-ACRUOGEOSA-N 2 1 380.536 3.520 20 0 GHADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516650051 852839713 /nfs/dbraw/zinc/83/97/13/852839713.db2.gz JCXIFCPEQBEQEU-ACRUOGEOSA-N 2 1 380.536 3.520 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000427322669 852980246 /nfs/dbraw/zinc/98/02/46/852980246.db2.gz UMFIPIGXWGGXQH-QGZVFWFLSA-N 2 1 397.485 3.520 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(-n2ccnn2)cc1 ZINC000507509573 852988834 /nfs/dbraw/zinc/98/88/34/852988834.db2.gz LKQPIAGGZNJJPV-IZSMGAQTSA-N 2 1 387.531 3.829 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000261959251 853080280 /nfs/dbraw/zinc/08/02/80/853080280.db2.gz GZSNTLRBKGZGPG-UHFFFAOYSA-N 2 1 378.442 3.526 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000490557443 853102727 /nfs/dbraw/zinc/10/27/27/853102727.db2.gz QCXHFTCYGMBFQI-KDURUIRLSA-N 2 1 382.552 4.000 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000518347892 853226968 /nfs/dbraw/zinc/22/69/68/853226968.db2.gz MGVRYXCNWUIHPA-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000518347892 853226981 /nfs/dbraw/zinc/22/69/81/853226981.db2.gz MGVRYXCNWUIHPA-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823704 853276517 /nfs/dbraw/zinc/27/65/17/853276517.db2.gz IQJRXVYEDWRLFJ-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823704 853276524 /nfs/dbraw/zinc/27/65/24/853276524.db2.gz IQJRXVYEDWRLFJ-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823704 853276534 /nfs/dbraw/zinc/27/65/34/853276534.db2.gz IQJRXVYEDWRLFJ-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490817650 853288915 /nfs/dbraw/zinc/28/89/15/853288915.db2.gz YGSCTASGRIVEDI-OYDLWJJNSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490817650 853288927 /nfs/dbraw/zinc/28/89/27/853288927.db2.gz YGSCTASGRIVEDI-OYDLWJJNSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490817650 853288936 /nfs/dbraw/zinc/28/89/36/853288936.db2.gz YGSCTASGRIVEDI-OYDLWJJNSA-N 2 1 391.559 3.678 20 0 GHADMP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473880921 853306619 /nfs/dbraw/zinc/30/66/19/853306619.db2.gz YNHRUTANGQPZFQ-RBBKRZOGSA-N 2 1 386.584 3.729 20 0 GHADMP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000490953240 853363154 /nfs/dbraw/zinc/36/31/54/853363154.db2.gz JFMCFTXWIOTGQH-QZTJIDSGSA-N 2 1 390.597 3.620 20 0 GHADMP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1CCCC[C@H]1C ZINC000490953240 853363160 /nfs/dbraw/zinc/36/31/60/853363160.db2.gz JFMCFTXWIOTGQH-QZTJIDSGSA-N 2 1 390.597 3.620 20 0 GHADMP C[C@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490956717 853368991 /nfs/dbraw/zinc/36/89/91/853368991.db2.gz AXWLQFCXYPLLKQ-NZQKXSOJSA-N 2 1 387.612 3.711 20 0 GHADMP C[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491000902 853397493 /nfs/dbraw/zinc/39/74/93/853397493.db2.gz XWPWMHSPWUCZCG-GBXCKJPGSA-N 2 1 381.564 3.567 20 0 GHADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000439213887 853430180 /nfs/dbraw/zinc/43/01/80/853430180.db2.gz SCNOJJILGPZKLM-NRFANRHFSA-N 2 1 378.605 3.593 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000519782534 853488181 /nfs/dbraw/zinc/48/81/81/853488181.db2.gz UOALYGCJJLSINC-RTBURBONSA-N 2 1 377.617 3.904 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962272 853503577 /nfs/dbraw/zinc/50/35/77/853503577.db2.gz WCKSGBOMRJWBIF-NOSIKRSBSA-N 2 1 377.573 3.817 20 0 GHADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C(C)(C)C ZINC000604774191 862471496 /nfs/dbraw/zinc/47/14/96/862471496.db2.gz FJXRFENDDUYWKV-DLBZAZTESA-N 2 1 385.474 3.767 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440826916 853680232 /nfs/dbraw/zinc/68/02/32/853680232.db2.gz WBCYNNNBNIKCHB-CYBMUJFWSA-N 2 1 399.436 3.560 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Sc4ccccc4)cc3)C2)nn1 ZINC000571179991 853757959 /nfs/dbraw/zinc/75/79/59/853757959.db2.gz JWDYKCZIWSTAPV-LJQANCHMSA-N 2 1 379.533 3.725 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000156603550 853897541 /nfs/dbraw/zinc/89/75/41/853897541.db2.gz NZCFPQSTCNZSKW-OAHAVBBTSA-N 2 1 397.604 3.549 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(C4CC[NH+](CC5CC5)CC4)CC3)C2)cc1 ZINC001168378959 853922508 /nfs/dbraw/zinc/92/25/08/853922508.db2.gz AKCRUPRJFHVRDO-UHFFFAOYSA-N 2 1 397.607 3.536 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@H]2CCC[C@@H]21 ZINC000571748792 854038288 /nfs/dbraw/zinc/03/82/88/854038288.db2.gz HCTCBABLKJPHOR-VJBWXMMDSA-N 2 1 394.563 3.768 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)C2)CC1 ZINC000520307007 854052608 /nfs/dbraw/zinc/05/26/08/854052608.db2.gz QAIADJPJIGPYIG-RXVVDRJESA-N 2 1 391.987 3.913 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CSc2ccc3ccccc3c2)CC1 ZINC000520425670 854197581 /nfs/dbraw/zinc/19/75/81/854197581.db2.gz UWYBYUNIYBSWKM-UHFFFAOYSA-N 2 1 392.528 3.717 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)c1 ZINC000624005307 862578712 /nfs/dbraw/zinc/57/87/12/862578712.db2.gz MWJGLHNLKHTGHY-XZOQPEGZSA-N 2 1 377.532 3.845 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000073024485 854733063 /nfs/dbraw/zinc/73/30/63/854733063.db2.gz HZYXTSZULUVBNG-UHFFFAOYSA-N 2 1 377.532 3.549 20 0 GHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000589317531 854807257 /nfs/dbraw/zinc/80/72/57/854807257.db2.gz QDYKAXMNCQTIFT-HSZRJFAPSA-N 2 1 389.543 3.910 20 0 GHADMP CCC[N@H+](Cc1cc(OC)ccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477070 854966712 /nfs/dbraw/zinc/96/67/12/854966712.db2.gz ZCLIJIRFXZFOIC-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP CCC[N@@H+](Cc1cc(OC)ccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477070 854966724 /nfs/dbraw/zinc/96/67/24/854966724.db2.gz ZCLIJIRFXZFOIC-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP CCC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001168395092 855159124 /nfs/dbraw/zinc/15/91/24/855159124.db2.gz LLPFJDMHHNLQMU-LJQANCHMSA-N 2 1 379.589 3.830 20 0 GHADMP CCCn1c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nc2ccccc21 ZINC000589843284 855160855 /nfs/dbraw/zinc/16/08/55/855160855.db2.gz HJNGMIMXYGEBFY-FQEVSTJZSA-N 2 1 397.592 3.586 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)c(OC)c1 ZINC000590125545 855289617 /nfs/dbraw/zinc/28/96/17/855289617.db2.gz WYPLBMUMYGKTDD-UHFFFAOYSA-N 2 1 375.538 3.601 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000465622506 855402771 /nfs/dbraw/zinc/40/27/71/855402771.db2.gz DUAHZXGFCWXKEN-YADHBBJMSA-N 2 1 386.584 3.685 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000572958172 855465983 /nfs/dbraw/zinc/46/59/83/855465983.db2.gz MNXMITQSWXDGCP-AOMKIAJQSA-N 2 1 389.503 3.509 20 0 GHADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002836 855631139 /nfs/dbraw/zinc/63/11/39/855631139.db2.gz ZQYGORCQJCWVIP-UWPGDLITSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002836 855631144 /nfs/dbraw/zinc/63/11/44/855631144.db2.gz ZQYGORCQJCWVIP-UWPGDLITSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002836 855631147 /nfs/dbraw/zinc/63/11/47/855631147.db2.gz ZQYGORCQJCWVIP-UWPGDLITSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002836 855631151 /nfs/dbraw/zinc/63/11/51/855631151.db2.gz ZQYGORCQJCWVIP-UWPGDLITSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168003253 855660266 /nfs/dbraw/zinc/66/02/66/855660266.db2.gz LZODHDYLEUALLH-DZUNGVIMSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168003253 855660271 /nfs/dbraw/zinc/66/02/71/855660271.db2.gz LZODHDYLEUALLH-DZUNGVIMSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168003253 855660273 /nfs/dbraw/zinc/66/02/73/855660273.db2.gz LZODHDYLEUALLH-DZUNGVIMSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046099 855701720 /nfs/dbraw/zinc/70/17/20/855701720.db2.gz OYXAXNPXQMNUBJ-XHDPSFHLSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046099 855701723 /nfs/dbraw/zinc/70/17/23/855701723.db2.gz OYXAXNPXQMNUBJ-XHDPSFHLSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046099 855701728 /nfs/dbraw/zinc/70/17/28/855701728.db2.gz OYXAXNPXQMNUBJ-XHDPSFHLSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046099 855701734 /nfs/dbraw/zinc/70/17/34/855701734.db2.gz OYXAXNPXQMNUBJ-XHDPSFHLSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542777465 855749169 /nfs/dbraw/zinc/74/91/69/855749169.db2.gz GZTMRVGTDQRVGT-HKUYNNGSSA-N 2 1 386.584 3.505 20 0 GHADMP CC(C)[NH+](CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000591092213 855757655 /nfs/dbraw/zinc/75/76/55/855757655.db2.gz OCOBMOSETFBDAT-HXUWFJFHSA-N 2 1 389.584 3.788 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000282506013 862724413 /nfs/dbraw/zinc/72/44/13/862724413.db2.gz OCBLRBNKJBCLHO-OAQYLSRUSA-N 2 1 398.526 3.627 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000282506013 862724425 /nfs/dbraw/zinc/72/44/25/862724425.db2.gz OCBLRBNKJBCLHO-OAQYLSRUSA-N 2 1 398.526 3.627 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121814 862732184 /nfs/dbraw/zinc/73/21/84/862732184.db2.gz LYUFFTGQUVOVSJ-VWPQPMDRSA-N 2 1 393.641 3.687 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121814 862732189 /nfs/dbraw/zinc/73/21/89/862732189.db2.gz LYUFFTGQUVOVSJ-VWPQPMDRSA-N 2 1 393.641 3.687 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000482121814 862732200 /nfs/dbraw/zinc/73/22/00/862732200.db2.gz LYUFFTGQUVOVSJ-VWPQPMDRSA-N 2 1 393.641 3.687 20 0 GHADMP CCN(CC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000152394661 855892150 /nfs/dbraw/zinc/89/21/50/855892150.db2.gz BETXCECHGJKRNR-UHFFFAOYSA-N 2 1 384.351 3.558 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000591421681 855969900 /nfs/dbraw/zinc/96/99/00/855969900.db2.gz DOYXLLIOGBFKQY-HXUWFJFHSA-N 2 1 387.568 3.546 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000542846531 856117056 /nfs/dbraw/zinc/11/70/56/856117056.db2.gz MINVASSMBOMFAD-WUMKDDEVSA-N 2 1 380.532 3.511 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc2occc2s1 ZINC000674308492 856156751 /nfs/dbraw/zinc/15/67/51/856156751.db2.gz YAYAMMZQQOBQFC-UHFFFAOYSA-N 2 1 389.565 3.763 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000591717024 856210282 /nfs/dbraw/zinc/21/02/82/856210282.db2.gz DCRFLVDJQUUWGM-UHFFFAOYSA-N 2 1 377.479 3.558 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000591700734 856223247 /nfs/dbraw/zinc/22/32/47/856223247.db2.gz ICNZPEHDBWQFOI-UHFFFAOYSA-N 2 1 396.318 3.507 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000573604060 856309970 /nfs/dbraw/zinc/30/99/70/856309970.db2.gz ITRMNKSEZIDXBZ-SDWXPCGYSA-N 2 1 379.495 3.512 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000573604060 856309978 /nfs/dbraw/zinc/30/99/78/856309978.db2.gz ITRMNKSEZIDXBZ-SDWXPCGYSA-N 2 1 379.495 3.512 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168573607 856368605 /nfs/dbraw/zinc/36/86/05/856368605.db2.gz RJWNHOWKDAHIPA-CABCVRRESA-N 2 1 381.483 3.590 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000658082761 856441574 /nfs/dbraw/zinc/44/15/74/856441574.db2.gz MYFBPHUXLIVUSK-NNZMDNLPSA-N 2 1 376.426 3.781 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658082761 856441580 /nfs/dbraw/zinc/44/15/80/856441580.db2.gz MYFBPHUXLIVUSK-NNZMDNLPSA-N 2 1 376.426 3.781 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000674591941 856476618 /nfs/dbraw/zinc/47/66/18/856476618.db2.gz CXHPLANVAKOYCM-OAQYLSRUSA-N 2 1 383.580 3.764 20 0 GHADMP CCOc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000485436272 856524131 /nfs/dbraw/zinc/52/41/31/856524131.db2.gz KQMSBWWNLXYRSA-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000485436272 856524136 /nfs/dbraw/zinc/52/41/36/856524136.db2.gz KQMSBWWNLXYRSA-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000485436272 856524207 /nfs/dbraw/zinc/52/42/07/856524207.db2.gz KQMSBWWNLXYRSA-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000701897521 856740533 /nfs/dbraw/zinc/74/05/33/856740533.db2.gz AHTWZUZRPZLCKI-GOSISDBHSA-N 2 1 375.557 3.539 20 0 GHADMP CC1(C)CC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000427823178 856770625 /nfs/dbraw/zinc/77/06/25/856770625.db2.gz DRYSPBXJXQWFHW-LJQANCHMSA-N 2 1 375.532 3.606 20 0 GHADMP CC1(C)CC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000427823178 856770628 /nfs/dbraw/zinc/77/06/28/856770628.db2.gz DRYSPBXJXQWFHW-LJQANCHMSA-N 2 1 375.532 3.606 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCCC(F)(F)C3)CC2)CC1 ZINC000573979615 856839040 /nfs/dbraw/zinc/83/90/40/856839040.db2.gz JUSXBPVGBMXQBG-KRWDZBQOSA-N 2 1 385.543 3.515 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)cc1 ZINC000592484312 856894366 /nfs/dbraw/zinc/89/43/66/856894366.db2.gz BZEXTALIARATAM-UGKGYDQZSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000592484312 856894407 /nfs/dbraw/zinc/89/44/07/856894407.db2.gz BZEXTALIARATAM-UGKGYDQZSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000592484312 856894436 /nfs/dbraw/zinc/89/44/36/856894436.db2.gz BZEXTALIARATAM-UGKGYDQZSA-N 2 1 398.595 3.877 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2C(C)C)CC1 ZINC001168578491 856961516 /nfs/dbraw/zinc/96/15/16/856961516.db2.gz CAQRQMRBXOZZHZ-HSZRJFAPSA-N 2 1 385.596 3.976 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccsc2)CC1 ZINC000485887267 857192564 /nfs/dbraw/zinc/19/25/64/857192564.db2.gz GLPMSLDRYUJNGB-GCJKJVERSA-N 2 1 397.588 3.707 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccsc2)CC1 ZINC000485887267 857192571 /nfs/dbraw/zinc/19/25/71/857192571.db2.gz GLPMSLDRYUJNGB-GCJKJVERSA-N 2 1 397.588 3.707 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1F ZINC000665259450 857216085 /nfs/dbraw/zinc/21/60/85/857216085.db2.gz GJYXZZZBAUPPIN-SZFLOTBDSA-N 2 1 383.511 3.991 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC000656537880 857337375 /nfs/dbraw/zinc/33/73/75/857337375.db2.gz GOOBWFCHKPUQNO-TUSQITKMSA-N 3 1 390.575 3.941 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012428 857359036 /nfs/dbraw/zinc/35/90/36/857359036.db2.gz ZVTWAKHABNDPBX-KZTDQWPFSA-N 2 1 391.559 3.819 20 0 GHADMP FC(F)(F)c1cccnc1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000181540412 862917287 /nfs/dbraw/zinc/91/72/87/862917287.db2.gz TZWYCKVHSGONAA-UHFFFAOYSA-N 2 1 393.453 3.776 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000061596588 857532672 /nfs/dbraw/zinc/53/26/72/857532672.db2.gz PJPLVGBHRUKNIJ-UHFFFAOYSA-N 2 1 383.561 3.614 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000061596588 857532681 /nfs/dbraw/zinc/53/26/81/857532681.db2.gz PJPLVGBHRUKNIJ-UHFFFAOYSA-N 2 1 383.561 3.614 20 0 GHADMP CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000428245342 857553575 /nfs/dbraw/zinc/55/35/75/857553575.db2.gz WRMNUARYOKXTQB-KRWDZBQOSA-N 2 1 380.458 3.724 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000486214347 857557799 /nfs/dbraw/zinc/55/77/99/857557799.db2.gz MACBHJDQRXICOW-MYDTUXCISA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000062427067 857568882 /nfs/dbraw/zinc/56/88/82/857568882.db2.gz GLMRIFURHLMANT-IBGZPJMESA-N 2 1 375.520 3.754 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000675713536 857574844 /nfs/dbraw/zinc/57/48/44/857574844.db2.gz CAZWRYKAFCWDGM-PZJWPPBQSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(-n2cnnn2)c1 ZINC000675747646 857596852 /nfs/dbraw/zinc/59/68/52/857596852.db2.gz CUFKEDPYJYIEMC-RTBURBONSA-N 2 1 390.535 3.888 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000065468841 857618044 /nfs/dbraw/zinc/61/80/44/857618044.db2.gz WMCFPVCSYQHVNV-PKTZIBPZSA-N 2 1 394.563 3.562 20 0 GHADMP CC[C@H](Cc1cccs1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675832033 857630091 /nfs/dbraw/zinc/63/00/91/857630091.db2.gz DDCDGLPIWSYUAM-WOJBJXKFSA-N 2 1 385.577 3.556 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000675880077 857658485 /nfs/dbraw/zinc/65/84/85/857658485.db2.gz XDUPCHWMYKYCNU-OAHLLOKOSA-N 2 1 382.483 3.765 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740723 857744473 /nfs/dbraw/zinc/74/44/73/857744473.db2.gz QEQZEBKRSSCLFB-BBWFWOEESA-N 2 1 395.503 3.993 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000671740286 857751390 /nfs/dbraw/zinc/75/13/90/857751390.db2.gz GXQGVYDIYWXNKI-FDHFVPJWSA-N 2 1 390.575 3.923 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743206 857772656 /nfs/dbraw/zinc/77/26/56/857772656.db2.gz PFTLDCVNKOVRAB-CVEARBPZSA-N 2 1 381.476 3.605 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743206 857772659 /nfs/dbraw/zinc/77/26/59/857772659.db2.gz PFTLDCVNKOVRAB-CVEARBPZSA-N 2 1 381.476 3.605 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000605331898 862960753 /nfs/dbraw/zinc/96/07/53/862960753.db2.gz NWKRWDSAMUSBJN-LJQANCHMSA-N 2 1 375.900 3.522 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000605339788 862967743 /nfs/dbraw/zinc/96/77/43/862967743.db2.gz NVLZMFSMVJHJIF-OALUTQOASA-N 2 1 390.572 3.792 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000065992628 857893357 /nfs/dbraw/zinc/89/33/57/857893357.db2.gz OVMUAQZAGVMMLW-HYBUGGRVSA-N 2 1 391.559 3.850 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3ccc(C)cc3)CC2)CC1 ZINC000574463902 857902768 /nfs/dbraw/zinc/90/27/68/857902768.db2.gz ZKLXCDKHTUOAIK-QHCPKHFHSA-N 2 1 383.580 3.855 20 0 GHADMP CC(C)[NH2+]C1(CO)CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000521456603 857999354 /nfs/dbraw/zinc/99/93/54/857999354.db2.gz COSOINKZOUKFAH-HWKANZROSA-N 2 1 381.358 3.677 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594295949 858032601 /nfs/dbraw/zinc/03/26/01/858032601.db2.gz BGLMZIQUMWOPMV-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000574692969 858164654 /nfs/dbraw/zinc/16/46/54/858164654.db2.gz HFSQMRSVECEHHE-KNQAVFIVSA-N 2 1 392.547 3.578 20 0 GHADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000574692971 858164937 /nfs/dbraw/zinc/16/49/37/858164937.db2.gz HFSQMRSVECEHHE-UGKGYDQZSA-N 2 1 392.547 3.578 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000521614322 858174134 /nfs/dbraw/zinc/17/41/34/858174134.db2.gz IJWBSIVNOXKAGB-PZJWPPBQSA-N 2 1 392.465 3.721 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428262068 858193566 /nfs/dbraw/zinc/19/35/66/858193566.db2.gz WFPMIKZSDZPQLK-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594606638 858240616 /nfs/dbraw/zinc/24/06/16/858240616.db2.gz MRAJOXGNLCCDMA-SFTDATJTSA-N 2 1 380.573 3.512 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065061 858333292 /nfs/dbraw/zinc/33/32/92/858333292.db2.gz ZIJYHYJQNDGDTQ-RTBURBONSA-N 2 1 381.520 3.653 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595026522 858354903 /nfs/dbraw/zinc/35/49/03/858354903.db2.gz OWVBSCCGSBABML-QGZVFWFLSA-N 2 1 395.288 3.853 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553006 858359856 /nfs/dbraw/zinc/35/98/56/858359856.db2.gz AIRRVHQQWLEVBP-BURPLHJFSA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553006 858359864 /nfs/dbraw/zinc/35/98/64/858359864.db2.gz AIRRVHQQWLEVBP-BURPLHJFSA-N 2 1 396.938 3.572 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000575046355 858502806 /nfs/dbraw/zinc/50/28/06/858502806.db2.gz MHJRQTKHIPMRJU-AVRDEDQJSA-N 2 1 381.520 3.744 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1ccccc1Br ZINC000543139623 858577748 /nfs/dbraw/zinc/57/77/48/858577748.db2.gz MVFZZLLIHAEVPQ-QRQLOZEOSA-N 2 1 381.358 3.565 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000482635830 858723800 /nfs/dbraw/zinc/72/38/00/858723800.db2.gz URNFEPTXWPDZMO-OXQOHEQNSA-N 2 1 397.588 3.785 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000657415847 858727497 /nfs/dbraw/zinc/72/74/97/858727497.db2.gz NTPPUVASNDGIDC-FPOVZHCZSA-N 3 1 375.520 3.658 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000657415847 858727505 /nfs/dbraw/zinc/72/75/05/858727505.db2.gz NTPPUVASNDGIDC-FPOVZHCZSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000657415847 858727514 /nfs/dbraw/zinc/72/75/14/858727514.db2.gz NTPPUVASNDGIDC-FPOVZHCZSA-N 2 1 375.520 3.658 20 0 GHADMP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000668106627 858779215 /nfs/dbraw/zinc/77/92/15/858779215.db2.gz HDDXIAWXYOZVLK-GOSISDBHSA-N 2 1 377.492 3.897 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000474078048 858784488 /nfs/dbraw/zinc/78/44/88/858784488.db2.gz FFQPNUONNZQFMH-AUSIDOKSSA-N 2 1 380.532 3.774 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)cc1 ZINC000183689437 858797884 /nfs/dbraw/zinc/79/78/84/858797884.db2.gz WACHRUBERVEOMK-VLIAUNLRSA-N 2 1 396.441 3.915 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000482914732 858963963 /nfs/dbraw/zinc/96/39/63/858963963.db2.gz IZVYRZKPEQQFLM-RTBURBONSA-N 2 1 392.613 3.524 20 0 GHADMP Cc1ncsc1-c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000668160855 858980360 /nfs/dbraw/zinc/98/03/60/858980360.db2.gz JBTQORJBXOWITP-NRFANRHFSA-N 2 1 384.593 3.719 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(-c4ccco4)s3)C2)ccn1 ZINC000856550605 881369076 /nfs/dbraw/zinc/36/90/76/881369076.db2.gz DYAJNEMBXNUWEK-SFHVURJKSA-N 2 1 398.532 3.903 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)ccn1 ZINC000856550605 881369096 /nfs/dbraw/zinc/36/90/96/881369096.db2.gz DYAJNEMBXNUWEK-SFHVURJKSA-N 2 1 398.532 3.903 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)ccn1 ZINC000856550605 881369116 /nfs/dbraw/zinc/36/91/16/881369116.db2.gz DYAJNEMBXNUWEK-SFHVURJKSA-N 2 1 398.532 3.903 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000568163966 859060399 /nfs/dbraw/zinc/06/03/99/859060399.db2.gz FSTIAVDWXOOPJP-KRWDZBQOSA-N 2 1 395.288 3.794 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000568163966 859060405 /nfs/dbraw/zinc/06/04/05/859060405.db2.gz FSTIAVDWXOOPJP-KRWDZBQOSA-N 2 1 395.288 3.794 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742519 859123241 /nfs/dbraw/zinc/12/32/41/859123241.db2.gz SYVDFDWGPDJWOO-SQNIBIBYSA-N 2 1 380.536 3.804 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742519 859123248 /nfs/dbraw/zinc/12/32/48/859123248.db2.gz SYVDFDWGPDJWOO-SQNIBIBYSA-N 2 1 380.536 3.804 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543282054 859144936 /nfs/dbraw/zinc/14/49/36/859144936.db2.gz XWDCTRLINGTMMP-WSTZPKSXSA-N 2 1 386.584 3.872 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543282054 859144942 /nfs/dbraw/zinc/14/49/42/859144942.db2.gz XWDCTRLINGTMMP-WSTZPKSXSA-N 2 1 386.584 3.872 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000191484969 859178450 /nfs/dbraw/zinc/17/84/50/859178450.db2.gz NNMZOGBAAJNNGB-QGZVFWFLSA-N 2 1 379.508 3.733 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000191484969 859178454 /nfs/dbraw/zinc/17/84/54/859178454.db2.gz NNMZOGBAAJNNGB-QGZVFWFLSA-N 2 1 379.508 3.733 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(cc2OCC)C[C@H](C)O3)[C@@H](C)C1 ZINC000532200409 881400431 /nfs/dbraw/zinc/40/04/31/881400431.db2.gz KPYAXJZCEWVNKQ-WFXMLNOXSA-N 2 1 390.568 3.635 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(cc2OCC)C[C@H](C)O3)[C@@H](C)C1 ZINC000532200409 881400620 /nfs/dbraw/zinc/40/06/20/881400620.db2.gz KPYAXJZCEWVNKQ-WFXMLNOXSA-N 2 1 390.568 3.635 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000443670266 859263491 /nfs/dbraw/zinc/26/34/91/859263491.db2.gz SLZJZFZIMLACAH-WOJBJXKFSA-N 2 1 389.584 3.536 20 0 GHADMP CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000429404570 859277089 /nfs/dbraw/zinc/27/70/89/859277089.db2.gz HPLIECNBIMDPGS-SDHSZQHLSA-N 2 1 399.623 3.515 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000429404570 859277099 /nfs/dbraw/zinc/27/70/99/859277099.db2.gz HPLIECNBIMDPGS-SDHSZQHLSA-N 2 1 399.623 3.515 20 0 GHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000429404570 859277109 /nfs/dbraw/zinc/27/71/09/859277109.db2.gz HPLIECNBIMDPGS-SDHSZQHLSA-N 2 1 399.623 3.515 20 0 GHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000429404570 859277117 /nfs/dbraw/zinc/27/71/17/859277117.db2.gz HPLIECNBIMDPGS-SDHSZQHLSA-N 2 1 399.623 3.515 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000483412193 859347522 /nfs/dbraw/zinc/34/75/22/859347522.db2.gz SFUHFRDDFWNHBH-LEWJYISDSA-N 2 1 389.609 3.570 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000543372147 859440744 /nfs/dbraw/zinc/44/07/44/859440744.db2.gz YZACMIXHCKQBGP-SFTDATJTSA-N 2 1 398.595 3.970 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000466745224 859464810 /nfs/dbraw/zinc/46/48/10/859464810.db2.gz UWLPNKPNXMFDMR-UHFFFAOYSA-N 2 1 388.581 3.631 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466443095 859515791 /nfs/dbraw/zinc/51/57/91/859515791.db2.gz BBBWJKWMBYZWMQ-RDVQEIBISA-N 2 1 384.486 3.828 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466443095 859515798 /nfs/dbraw/zinc/51/57/98/859515798.db2.gz BBBWJKWMBYZWMQ-RDVQEIBISA-N 2 1 384.486 3.828 20 0 GHADMP C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764742922 859587577 /nfs/dbraw/zinc/58/75/77/859587577.db2.gz CJMMXCIIKBWBKQ-HNNXBMFYSA-N 2 1 388.524 3.988 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764742922 859587584 /nfs/dbraw/zinc/58/75/84/859587584.db2.gz CJMMXCIIKBWBKQ-HNNXBMFYSA-N 2 1 388.524 3.988 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764742922 859587590 /nfs/dbraw/zinc/58/75/90/859587590.db2.gz CJMMXCIIKBWBKQ-HNNXBMFYSA-N 2 1 388.524 3.988 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000465584735 859593311 /nfs/dbraw/zinc/59/33/11/859593311.db2.gz GUHZNIDLMKQYQY-XMSQKQJNSA-N 2 1 394.563 3.697 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)CC1 ZINC000114455851 859613766 /nfs/dbraw/zinc/61/37/66/859613766.db2.gz DHKIDUHEZOTXOI-UHFFFAOYSA-N 2 1 389.559 3.602 20 0 GHADMP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114480573 859626898 /nfs/dbraw/zinc/62/68/98/859626898.db2.gz JKSOMWDNOVYKGL-OAQYLSRUSA-N 2 1 379.976 3.958 20 0 GHADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114480573 859626901 /nfs/dbraw/zinc/62/69/01/859626901.db2.gz JKSOMWDNOVYKGL-OAQYLSRUSA-N 2 1 379.976 3.958 20 0 GHADMP COCc1csc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856560671 881444634 /nfs/dbraw/zinc/44/46/34/881444634.db2.gz YSSGDSBHQRIROD-HXUWFJFHSA-N 2 1 389.565 3.783 20 0 GHADMP COCc1csc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856560671 881444642 /nfs/dbraw/zinc/44/46/42/881444642.db2.gz YSSGDSBHQRIROD-HXUWFJFHSA-N 2 1 389.565 3.783 20 0 GHADMP COCc1csc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856560671 881444649 /nfs/dbraw/zinc/44/46/49/881444649.db2.gz YSSGDSBHQRIROD-HXUWFJFHSA-N 2 1 389.565 3.783 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(F)cccc3F)C2)ccn1 ZINC000856560925 881444707 /nfs/dbraw/zinc/44/47/07/881444707.db2.gz KRWKASJZWPSWIH-GOSISDBHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(F)cccc3F)C2)ccn1 ZINC000856560925 881444716 /nfs/dbraw/zinc/44/47/16/881444716.db2.gz KRWKASJZWPSWIH-GOSISDBHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(F)cccc3F)C2)ccn1 ZINC000856560925 881444724 /nfs/dbraw/zinc/44/47/24/881444724.db2.gz KRWKASJZWPSWIH-GOSISDBHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(F)cccc3F)C2)ccn1 ZINC000856560925 881444730 /nfs/dbraw/zinc/44/47/30/881444730.db2.gz KRWKASJZWPSWIH-GOSISDBHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000856562119 881470977 /nfs/dbraw/zinc/47/09/77/881470977.db2.gz YFGNEVVBSVYPSE-LJQANCHMSA-N 2 1 386.565 3.909 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000856562119 881470984 /nfs/dbraw/zinc/47/09/84/881470984.db2.gz YFGNEVVBSVYPSE-LJQANCHMSA-N 2 1 386.565 3.909 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484143460 859829756 /nfs/dbraw/zinc/82/97/56/859829756.db2.gz YGCWEALXWZDSHL-HRAATJIYSA-N 2 1 376.447 3.576 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484143460 859829762 /nfs/dbraw/zinc/82/97/62/859829762.db2.gz YGCWEALXWZDSHL-HRAATJIYSA-N 2 1 376.447 3.576 20 0 GHADMP CCOc1ccccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562197 881470228 /nfs/dbraw/zinc/47/02/28/881470228.db2.gz VUTYDPHDQLXBRA-QFIPXVFZSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562197 881470244 /nfs/dbraw/zinc/47/02/44/881470244.db2.gz VUTYDPHDQLXBRA-QFIPXVFZSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856562197 881470257 /nfs/dbraw/zinc/47/02/57/881470257.db2.gz VUTYDPHDQLXBRA-QFIPXVFZSA-N 2 1 383.536 3.974 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000856562119 881470975 /nfs/dbraw/zinc/47/09/75/881470975.db2.gz YFGNEVVBSVYPSE-LJQANCHMSA-N 2 1 386.565 3.909 20 0 GHADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)cs2)cc1 ZINC000922387442 859867071 /nfs/dbraw/zinc/86/70/71/859867071.db2.gz KZUGLHZPVPHOAQ-VMBXEPDQSA-N 2 1 385.577 3.688 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000765359311 859927800 /nfs/dbraw/zinc/92/78/00/859927800.db2.gz VEVAOHXMMRDWNH-AABGKKOBSA-N 2 1 397.604 3.503 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765432689 859968121 /nfs/dbraw/zinc/96/81/21/859968121.db2.gz IYDOXYWAXJEFGW-KRWDZBQOSA-N 2 1 393.597 3.753 20 0 GHADMP CC(C)[C@H](C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1)N1CC[NH+](C)CC1 ZINC000115611524 860057715 /nfs/dbraw/zinc/05/77/15/860057715.db2.gz GCNFZCMVJCUGOD-IBGZPJMESA-N 2 1 377.479 3.586 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccnn1-c1ccccc1 ZINC000281106772 860200226 /nfs/dbraw/zinc/20/02/26/860200226.db2.gz BZXLIYCAVKWHAI-LJQANCHMSA-N 2 1 376.504 3.555 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC[C@@H]21 ZINC001168729443 860281137 /nfs/dbraw/zinc/28/11/37/860281137.db2.gz YOMDYNKHJYJLBJ-UGTOYMOASA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC[C@@H]21 ZINC001168729443 860281147 /nfs/dbraw/zinc/28/11/47/860281147.db2.gz YOMDYNKHJYJLBJ-UGTOYMOASA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(Cl)c4C3)CC[C@@H]21 ZINC001168729443 860281157 /nfs/dbraw/zinc/28/11/57/860281157.db2.gz YOMDYNKHJYJLBJ-UGTOYMOASA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3Cc4cccc(Cl)c4C3)CC[C@@H]21 ZINC001168729443 860281163 /nfs/dbraw/zinc/28/11/63/860281163.db2.gz YOMDYNKHJYJLBJ-UGTOYMOASA-N 2 1 398.982 3.877 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665434487 860354284 /nfs/dbraw/zinc/35/42/84/860354284.db2.gz FAUBUQWOIILMSM-GOSISDBHSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000155171155 860427628 /nfs/dbraw/zinc/42/76/28/860427628.db2.gz WMOKCJYDOMIPTR-GIVPXCGWSA-N 2 1 398.551 3.577 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000155171155 860427634 /nfs/dbraw/zinc/42/76/34/860427634.db2.gz WMOKCJYDOMIPTR-GIVPXCGWSA-N 2 1 398.551 3.577 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000904577453 860507089 /nfs/dbraw/zinc/50/70/89/860507089.db2.gz QCCRBUAXKNOLLA-LJQANCHMSA-N 2 1 380.536 3.567 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000904573590 860520167 /nfs/dbraw/zinc/52/01/67/860520167.db2.gz YSSCVMPLKXHPLW-INIZCTEOSA-N 2 1 386.565 3.976 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000904639728 860540610 /nfs/dbraw/zinc/54/06/10/860540610.db2.gz LKELKARWUIPMLE-UXHICEINSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000904639728 860540615 /nfs/dbraw/zinc/54/06/15/860540615.db2.gz LKELKARWUIPMLE-UXHICEINSA-N 2 1 388.462 3.769 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000484998405 860579042 /nfs/dbraw/zinc/57/90/42/860579042.db2.gz XGCWWCNAQMEXNE-IEBWSBKVSA-N 2 1 376.504 3.717 20 0 GHADMP Cc1cccc(OCC[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856600384 881574955 /nfs/dbraw/zinc/57/49/55/881574955.db2.gz ZBXCPAHKCFHJSR-QHCPKHFHSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1cccc(OCC[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856600384 881574967 /nfs/dbraw/zinc/57/49/67/881574967.db2.gz ZBXCPAHKCFHJSR-QHCPKHFHSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1cccc(OCC[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856600384 881574980 /nfs/dbraw/zinc/57/49/80/881574980.db2.gz ZBXCPAHKCFHJSR-QHCPKHFHSA-N 2 1 383.536 3.762 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489791045 860753467 /nfs/dbraw/zinc/75/34/67/860753467.db2.gz YOKNTWLNDVJKNN-COPCDDAFSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000489825209 860763348 /nfs/dbraw/zinc/76/33/48/860763348.db2.gz XVHXJXXTZVUEDC-SIKLNZKXSA-N 2 1 386.584 3.509 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605519 881581831 /nfs/dbraw/zinc/58/18/31/881581831.db2.gz CNKYEQQULKPRLW-ROUUACIJSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605519 881581867 /nfs/dbraw/zinc/58/18/67/881581867.db2.gz CNKYEQQULKPRLW-ROUUACIJSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605519 881581875 /nfs/dbraw/zinc/58/18/75/881581875.db2.gz CNKYEQQULKPRLW-ROUUACIJSA-N 2 1 386.367 3.959 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)C1CCCCC1 ZINC000555430409 860876990 /nfs/dbraw/zinc/87/69/90/860876990.db2.gz ZAQVFZOYBSMJJS-NYVOZVTQSA-N 2 1 392.632 3.934 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000623360877 860921720 /nfs/dbraw/zinc/92/17/20/860921720.db2.gz CHXNMQSQOJNYNX-CHWSQXEVSA-N 2 1 381.343 3.617 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000623360877 860921730 /nfs/dbraw/zinc/92/17/30/860921730.db2.gz CHXNMQSQOJNYNX-CHWSQXEVSA-N 2 1 381.343 3.617 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000555461142 860951020 /nfs/dbraw/zinc/95/10/20/860951020.db2.gz QWYGLELUUCXVTA-FXAWDEMLSA-N 2 1 386.515 3.659 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000555461142 860951028 /nfs/dbraw/zinc/95/10/28/860951028.db2.gz QWYGLELUUCXVTA-FXAWDEMLSA-N 2 1 386.515 3.659 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1C ZINC000899505636 860969608 /nfs/dbraw/zinc/96/96/08/860969608.db2.gz OKYRTCAXQXMLIQ-OAQYLSRUSA-N 2 1 380.536 3.645 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1C ZINC000899505636 860969622 /nfs/dbraw/zinc/96/96/22/860969622.db2.gz OKYRTCAXQXMLIQ-OAQYLSRUSA-N 2 1 380.536 3.645 20 0 GHADMP C[C@@H](C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000605510230 863093482 /nfs/dbraw/zinc/09/34/82/863093482.db2.gz NLMJIFJZSRWQKN-RDPSFJRHSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@@H](C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000605510230 863093493 /nfs/dbraw/zinc/09/34/93/863093493.db2.gz NLMJIFJZSRWQKN-RDPSFJRHSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428324594 863237092 /nfs/dbraw/zinc/23/70/92/863237092.db2.gz LGUURFGBZBFUHW-IBGZPJMESA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000482555358 863306311 /nfs/dbraw/zinc/30/63/11/863306311.db2.gz QURCWTQBFJIYNK-PZJWPPBQSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000482555358 863306315 /nfs/dbraw/zinc/30/63/15/863306315.db2.gz QURCWTQBFJIYNK-PZJWPPBQSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000482555358 863306323 /nfs/dbraw/zinc/30/63/23/863306323.db2.gz QURCWTQBFJIYNK-PZJWPPBQSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000482570172 863328625 /nfs/dbraw/zinc/32/86/25/863328625.db2.gz TYNSIPZRXGTMGE-NVXWUHKLSA-N 2 1 389.540 3.792 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1 ZINC000182741647 863343157 /nfs/dbraw/zinc/34/31/57/863343157.db2.gz KNWDTPGAVZVJPI-UHFFFAOYSA-N 2 1 389.588 3.771 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2F)cc1 ZINC000183156663 863491939 /nfs/dbraw/zinc/49/19/39/863491939.db2.gz RXWGUUNWCRRDCE-IIBYNOLFSA-N 2 1 383.467 3.548 20 0 GHADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCCCC1 ZINC000606376313 863570181 /nfs/dbraw/zinc/57/01/81/863570181.db2.gz OHEHUQVLLVDBEP-XQBPLPMBSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCCCC1 ZINC000606376313 863570196 /nfs/dbraw/zinc/57/01/96/863570196.db2.gz OHEHUQVLLVDBEP-XQBPLPMBSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@@H]1CC([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051827 863665611 /nfs/dbraw/zinc/66/56/11/863665611.db2.gz JCRLVQROBAHCBU-DROZBKFOSA-N 2 1 384.564 3.554 20 0 GHADMP C[C@@H]1CC([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168051827 863665620 /nfs/dbraw/zinc/66/56/20/863665620.db2.gz JCRLVQROBAHCBU-DROZBKFOSA-N 2 1 384.564 3.554 20 0 GHADMP Cc1nccn1CCCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000175120399 863703706 /nfs/dbraw/zinc/70/37/06/863703706.db2.gz NURMUYFNKCLQQF-IBGZPJMESA-N 2 1 397.567 3.703 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000175120399 863703713 /nfs/dbraw/zinc/70/37/13/863703713.db2.gz NURMUYFNKCLQQF-IBGZPJMESA-N 2 1 397.567 3.703 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000175120399 863703720 /nfs/dbraw/zinc/70/37/20/863703720.db2.gz NURMUYFNKCLQQF-IBGZPJMESA-N 2 1 397.567 3.703 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508470053 863760992 /nfs/dbraw/zinc/76/09/92/863760992.db2.gz RMYUVSWJUOIGQP-QHCPKHFHSA-N 2 1 379.548 3.923 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508470053 863761003 /nfs/dbraw/zinc/76/10/03/863761003.db2.gz RMYUVSWJUOIGQP-QHCPKHFHSA-N 2 1 379.548 3.923 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508470053 863761013 /nfs/dbraw/zinc/76/10/13/863761013.db2.gz RMYUVSWJUOIGQP-QHCPKHFHSA-N 2 1 379.548 3.923 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000606704623 863769993 /nfs/dbraw/zinc/76/99/93/863769993.db2.gz VZYSYTOLISXWIJ-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CC([N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054840 863987900 /nfs/dbraw/zinc/98/79/00/863987900.db2.gz UJFPHOMCKPTRQG-VIZSFHNOSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC([N@H+]2CCCC[C@H]2C(=O)N2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054840 863987911 /nfs/dbraw/zinc/98/79/11/863987911.db2.gz UJFPHOMCKPTRQG-VIZSFHNOSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000667618052 864017520 /nfs/dbraw/zinc/01/75/20/864017520.db2.gz JSVRUCBSLJPQAC-KNQAVFIVSA-N 2 1 375.520 3.752 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000523003107 864313126 /nfs/dbraw/zinc/31/31/26/864313126.db2.gz IFBMLZFOJJGOKG-NJDAHSKKSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000523003107 864313134 /nfs/dbraw/zinc/31/31/34/864313134.db2.gz IFBMLZFOJJGOKG-NJDAHSKKSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000523003107 864313147 /nfs/dbraw/zinc/31/31/47/864313147.db2.gz IFBMLZFOJJGOKG-NJDAHSKKSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CC([NH+]2CC3(CN(c4ccccc4)C3=O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058133 864445158 /nfs/dbraw/zinc/44/51/58/864445158.db2.gz BCUHNJZRFTUJFQ-WOJBJXKFSA-N 2 1 389.543 3.777 20 0 GHADMP [NH3+]C1CCN(CCc2cn(C3CC[NH+](CC4CC4)CC3)c3ccccc23)CC1 ZINC001168362913 864588827 /nfs/dbraw/zinc/58/88/27/864588827.db2.gz MTDUWVVGDCOWBC-UHFFFAOYSA-N 2 1 380.580 3.654 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1ccco1 ZINC000622047718 864730533 /nfs/dbraw/zinc/73/05/33/864730533.db2.gz ZIOZKOAPBSJXIR-YCRPNKLZSA-N 2 1 394.519 3.608 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1ccco1 ZINC000622047718 864730541 /nfs/dbraw/zinc/73/05/41/864730541.db2.gz ZIOZKOAPBSJXIR-YCRPNKLZSA-N 2 1 394.519 3.608 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000444337592 864760165 /nfs/dbraw/zinc/76/01/65/864760165.db2.gz BENIOVHBIZCLPN-KSZLIROESA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000444337592 864760176 /nfs/dbraw/zinc/76/01/76/864760176.db2.gz BENIOVHBIZCLPN-KSZLIROESA-N 2 1 383.540 3.661 20 0 GHADMP CC(C)C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000480605102 864962969 /nfs/dbraw/zinc/96/29/69/864962969.db2.gz HBQMOGUVHGLYLI-HSZRJFAPSA-N 2 1 379.548 3.951 20 0 GHADMP C[N@@H+](CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000009983568 865069489 /nfs/dbraw/zinc/06/94/89/865069489.db2.gz XQCCFWKUSGMAKV-UHFFFAOYSA-N 2 1 379.548 3.924 20 0 GHADMP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1)N1CC[NH+](C)CC1 ZINC000480673401 865070151 /nfs/dbraw/zinc/07/01/51/865070151.db2.gz QONNIFULGGXKNV-LJQANCHMSA-N 2 1 377.479 3.586 20 0 GHADMP COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000554863053 865081028 /nfs/dbraw/zinc/08/10/28/865081028.db2.gz WKHYJRSRLBGTGZ-HKUYNNGSSA-N 2 1 384.520 3.800 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301393531 865334312 /nfs/dbraw/zinc/33/43/12/865334312.db2.gz JJDSEGPMMJYPJF-HNNXBMFYSA-N 2 1 390.325 3.546 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)[C@H]3CC[N@H+](C)C[C@H]3C)c2c1C ZINC000301610465 865453753 /nfs/dbraw/zinc/45/37/53/865453753.db2.gz CMKZSUOGXZXIMB-PBHICJAKSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)c2c1C ZINC000301610465 865453765 /nfs/dbraw/zinc/45/37/65/865453765.db2.gz CMKZSUOGXZXIMB-PBHICJAKSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@H+](C)C[C@H]3C)c2c1C ZINC000301610465 865453772 /nfs/dbraw/zinc/45/37/72/865453772.db2.gz CMKZSUOGXZXIMB-PBHICJAKSA-N 2 1 387.597 3.680 20 0 GHADMP CC(C)[C@H](CNc1cc[nH+]c2cc(C(F)(F)F)ccc12)[NH+]1CCN(C)CC1 ZINC000301770608 865530786 /nfs/dbraw/zinc/53/07/86/865530786.db2.gz DKPDHEKFJNNKGN-IBGZPJMESA-N 2 1 380.458 3.938 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000172243348 865537972 /nfs/dbraw/zinc/53/79/72/865537972.db2.gz KFRCYWYIDDMVNA-XMMPIXPASA-N 2 1 391.559 3.623 20 0 GHADMP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000301812911 865547876 /nfs/dbraw/zinc/54/78/76/865547876.db2.gz YINIAQUEZDWICQ-UHFFFAOYSA-N 2 1 388.393 3.984 20 0 GHADMP CCc1ccc([C@@H](NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c2cccs2)cc1 ZINC000480953674 865596987 /nfs/dbraw/zinc/59/69/87/865596987.db2.gz HCKOCGHBTQSZIX-HSZRJFAPSA-N 2 1 399.604 3.790 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC1CC1)c1ccccc1 ZINC000608716550 865622563 /nfs/dbraw/zinc/62/25/63/865622563.db2.gz OCSHSKHLKSWJTI-VXKWHMMOSA-N 2 1 386.584 3.585 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cncc(-c2cccs2)n1 ZINC000555168570 865640240 /nfs/dbraw/zinc/64/02/40/865640240.db2.gz MNJUZNYWHQZORT-UHFFFAOYSA-N 2 1 399.608 3.838 20 0 GHADMP c1cc(C[NH+]2CC[C@@]3(C2)CCCOC3)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000671253706 865733820 /nfs/dbraw/zinc/73/38/20/865733820.db2.gz ORSZRKHLTYBMDD-DNQXCXABSA-N 2 1 384.564 3.692 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000899377085 865870948 /nfs/dbraw/zinc/87/09/48/865870948.db2.gz UADWYOIJYRGSIU-WMZHIEFXSA-N 2 1 383.580 3.792 20 0 GHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175317 865925318 /nfs/dbraw/zinc/92/53/18/865925318.db2.gz PGXZTMKUQPTHLZ-IEBWSBKVSA-N 2 1 399.501 3.534 20 0 GHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175317 865925322 /nfs/dbraw/zinc/92/53/22/865925322.db2.gz PGXZTMKUQPTHLZ-IEBWSBKVSA-N 2 1 399.501 3.534 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000481174335 865961838 /nfs/dbraw/zinc/96/18/38/865961838.db2.gz IRZAGLHEDRCECI-OFNKIYASSA-N 2 1 391.559 3.682 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000481174335 865961847 /nfs/dbraw/zinc/96/18/47/865961847.db2.gz IRZAGLHEDRCECI-OFNKIYASSA-N 2 1 391.559 3.682 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175120866 865975083 /nfs/dbraw/zinc/97/50/83/865975083.db2.gz KNJGJELTMZBDJR-XMMPIXPASA-N 2 1 391.559 3.633 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000534020238 865988938 /nfs/dbraw/zinc/98/89/38/865988938.db2.gz MTAPHTJLRARJEH-XZOQPEGZSA-N 2 1 395.547 3.582 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481203132 865998957 /nfs/dbraw/zinc/99/89/57/865998957.db2.gz STSSVGSCWJVLBP-MZLICYQSSA-N 2 1 393.575 3.926 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481203132 865998961 /nfs/dbraw/zinc/99/89/61/865998961.db2.gz STSSVGSCWJVLBP-MZLICYQSSA-N 2 1 393.575 3.926 20 0 GHADMP c1cn([C@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000740877078 866063093 /nfs/dbraw/zinc/06/30/93/866063093.db2.gz XXXGAIRLXZRYGD-VXKWHMMOSA-N 2 1 384.572 3.614 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000121203178 881966615 /nfs/dbraw/zinc/96/66/15/881966615.db2.gz UHSUEHJGBRWMMQ-DYXWJJEUSA-N 2 1 388.600 3.657 20 0 GHADMP C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCCC1 ZINC000534248597 866373045 /nfs/dbraw/zinc/37/30/45/866373045.db2.gz HAFPFUBVKYTIGW-NRFANRHFSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@H]1CN(C(=O)c2cccc(Cn3ccnc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456319866 866430497 /nfs/dbraw/zinc/43/04/97/866430497.db2.gz BRCPYJNHVLMABH-HXUWFJFHSA-N 2 1 388.515 3.526 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857076852 881990524 /nfs/dbraw/zinc/99/05/24/881990524.db2.gz YDJSLNVPCDTLRZ-NHCUHLMSSA-N 2 1 383.536 3.902 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(c4ccccc4)CC3)c2)CCO1 ZINC000153485093 866517667 /nfs/dbraw/zinc/51/76/67/866517667.db2.gz WECMHSZBPLXBGC-HXUWFJFHSA-N 2 1 379.548 3.666 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(c4ccccc4)CC3)c2)CCO1 ZINC000153485093 866517673 /nfs/dbraw/zinc/51/76/73/866517673.db2.gz WECMHSZBPLXBGC-HXUWFJFHSA-N 2 1 379.548 3.666 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620196093 866534665 /nfs/dbraw/zinc/53/46/65/866534665.db2.gz MEHRCWYUIIJELY-FPOVZHCZSA-N 2 1 394.563 3.815 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620196093 866534670 /nfs/dbraw/zinc/53/46/70/866534670.db2.gz MEHRCWYUIIJELY-FPOVZHCZSA-N 2 1 394.563 3.815 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000552997811 866599367 /nfs/dbraw/zinc/59/93/67/866599367.db2.gz BWRNLVBSUZTRHN-FQEVSTJZSA-N 2 1 393.575 3.953 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000189761021 881998875 /nfs/dbraw/zinc/99/88/75/881998875.db2.gz MJOUTMGQVFBTEQ-HKUYNNGSSA-N 2 1 380.602 3.504 20 0 GHADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000553169948 866896311 /nfs/dbraw/zinc/89/63/11/866896311.db2.gz JBNZWPVDHQJVFW-LADGPHEKSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000793207858 882032540 /nfs/dbraw/zinc/03/25/40/882032540.db2.gz SPLBLETVMWECCO-GGPKGHCWSA-N 2 1 375.557 3.790 20 0 GHADMP C[NH+](C)Cc1cc(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)ccc1F ZINC000857127578 882034596 /nfs/dbraw/zinc/03/45/96/882034596.db2.gz SHGCXCXHKBIGQA-HXUWFJFHSA-N 2 1 383.511 3.627 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479072715 867129314 /nfs/dbraw/zinc/12/93/14/867129314.db2.gz WMKLJXJZDPHOIW-HKUYNNGSSA-N 2 1 381.358 3.653 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000523390301 867219706 /nfs/dbraw/zinc/21/97/06/867219706.db2.gz YQWWWROEDJCARO-CYBMUJFWSA-N 2 1 390.330 3.621 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)C1 ZINC000857158093 882066788 /nfs/dbraw/zinc/06/67/88/882066788.db2.gz MEHGBAWJJGFQIP-XJUOHMSHSA-N 2 1 381.564 3.585 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)C1 ZINC000857158093 882066808 /nfs/dbraw/zinc/06/68/08/882066808.db2.gz MEHGBAWJJGFQIP-XJUOHMSHSA-N 2 1 381.564 3.585 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)C1 ZINC000857158093 882066827 /nfs/dbraw/zinc/06/68/27/882066827.db2.gz MEHGBAWJJGFQIP-XJUOHMSHSA-N 2 1 381.564 3.585 20 0 GHADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154354847 867367418 /nfs/dbraw/zinc/36/74/18/867367418.db2.gz QRJPYPGRVAJJRN-MRXNPFEDSA-N 2 1 390.572 3.936 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000121347569 882085557 /nfs/dbraw/zinc/08/55/57/882085557.db2.gz KIFGCFPOULZYNX-GOSISDBHSA-N 2 1 383.540 3.663 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000154851848 867630387 /nfs/dbraw/zinc/63/03/87/867630387.db2.gz ORVDWUXQDHFNGI-UONOGXRCSA-N 2 1 375.340 3.850 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087575 867640602 /nfs/dbraw/zinc/64/06/02/867640602.db2.gz QDNIIOXVYOJDCX-MRXNPFEDSA-N 2 1 389.506 3.516 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000523796442 868003792 /nfs/dbraw/zinc/00/37/92/868003792.db2.gz NFODNIDSSWLMDV-SIKLNZKXSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000523796442 868003809 /nfs/dbraw/zinc/00/38/09/868003809.db2.gz NFODNIDSSWLMDV-SIKLNZKXSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000523796442 868003826 /nfs/dbraw/zinc/00/38/26/868003826.db2.gz NFODNIDSSWLMDV-SIKLNZKXSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000156194970 868282320 /nfs/dbraw/zinc/28/23/20/868282320.db2.gz ICEKFEZEVSSJMS-MOPGFXCFSA-N 2 1 390.535 3.888 20 0 GHADMP Clc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479757878 868433536 /nfs/dbraw/zinc/43/35/36/868433536.db2.gz STGUZDWBMNJWTL-HDICACEKSA-N 2 1 378.907 3.844 20 0 GHADMP Clc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479757878 868433541 /nfs/dbraw/zinc/43/35/41/868433541.db2.gz STGUZDWBMNJWTL-HDICACEKSA-N 2 1 378.907 3.844 20 0 GHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914917 868501212 /nfs/dbraw/zinc/50/12/12/868501212.db2.gz CUCFANPEVJUCLQ-NQIIRXRSSA-N 2 1 395.547 3.552 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CC(C(C)(C)C)C1 ZINC000457629433 868546236 /nfs/dbraw/zinc/54/62/36/868546236.db2.gz KYUIRSFYDIOHLP-UHFFFAOYSA-N 2 1 377.617 3.713 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000479856853 868607538 /nfs/dbraw/zinc/60/75/38/868607538.db2.gz ZYFZTVHXGJOMQJ-HJNYFJLDSA-N 2 1 399.604 3.622 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000667569759 868682044 /nfs/dbraw/zinc/68/20/44/868682044.db2.gz RVASXSFOJCAYJP-ZHALLVOQSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000667569759 868682051 /nfs/dbraw/zinc/68/20/51/868682051.db2.gz RVASXSFOJCAYJP-ZHALLVOQSA-N 2 1 394.563 3.633 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000535398459 868690783 /nfs/dbraw/zinc/69/07/83/868690783.db2.gz SAEKQORJZPOVBU-YTFSRNRJSA-N 2 1 392.547 3.568 20 0 GHADMP CC1(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000621108650 868722524 /nfs/dbraw/zinc/72/25/24/868722524.db2.gz FOEALMIAJZFYKD-JOCHJYFZSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000524288581 868834039 /nfs/dbraw/zinc/83/40/39/868834039.db2.gz HUDFVSRZIKIPQM-ZRCGQRJVSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[N@@H+]1C ZINC000394557103 882254551 /nfs/dbraw/zinc/25/45/51/882254551.db2.gz HJGFTUDFWOEEIS-IINYFYTJSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[N@H+]1C ZINC000394557103 882254569 /nfs/dbraw/zinc/25/45/69/882254569.db2.gz HJGFTUDFWOEEIS-IINYFYTJSA-N 2 1 376.136 3.784 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404289 869063315 /nfs/dbraw/zinc/06/33/15/869063315.db2.gz FZKSBCDKQHJILA-DZGCQCFKSA-N 2 1 389.284 3.967 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628828 869111578 /nfs/dbraw/zinc/11/15/78/869111578.db2.gz OCRNBHJLGZKGDD-CMKODMSKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628828 869111583 /nfs/dbraw/zinc/11/15/83/869111583.db2.gz OCRNBHJLGZKGDD-CMKODMSKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000744873218 869133955 /nfs/dbraw/zinc/13/39/55/869133955.db2.gz CLXLDFZXGLXOKU-MOPGFXCFSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000445994417 869260616 /nfs/dbraw/zinc/26/06/16/869260616.db2.gz WUFSDLWTKPBBOD-GDKQOWJMSA-N 2 1 391.559 3.692 20 0 GHADMP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000190834200 882282377 /nfs/dbraw/zinc/28/23/77/882282377.db2.gz BLSSLTUIYSYWDZ-BGYRXZFFSA-N 2 1 396.579 3.825 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000524751277 869495925 /nfs/dbraw/zinc/49/59/25/869495925.db2.gz LBAILAQVJPYDDB-QFBILLFUSA-N 2 1 380.374 3.610 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000524751277 869495935 /nfs/dbraw/zinc/49/59/35/869495935.db2.gz LBAILAQVJPYDDB-QFBILLFUSA-N 2 1 380.374 3.610 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000524792079 869580380 /nfs/dbraw/zinc/58/03/80/869580380.db2.gz AYNVHRXEOVCUKI-UHFFFAOYSA-N 2 1 396.959 3.824 20 0 GHADMP C[NH+](C)CCn1ccc(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)n1 ZINC000190952673 882318378 /nfs/dbraw/zinc/31/83/78/882318378.db2.gz XQGLKAWMCVCNOR-UHFFFAOYSA-N 2 1 398.555 3.853 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895250 869982187 /nfs/dbraw/zinc/98/21/87/869982187.db2.gz ALGNKWBIIAEKBY-LPHOPBHVSA-N 2 1 389.341 3.551 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@@H]3CCCc3ccccc3)cn2)CC1 ZINC000539896542 869983698 /nfs/dbraw/zinc/98/36/98/869983698.db2.gz XBDMOAYHTVSVRF-HSZRJFAPSA-N 2 1 393.579 3.606 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@@H]3CCCc3ccccc3)cn2)CC1 ZINC000539896542 869983705 /nfs/dbraw/zinc/98/37/05/869983705.db2.gz XBDMOAYHTVSVRF-HSZRJFAPSA-N 2 1 393.579 3.606 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000539967195 870124175 /nfs/dbraw/zinc/12/41/75/870124175.db2.gz DLCQQCMLDCBFGI-PKOBYXMFSA-N 2 1 381.358 3.653 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000462808080 870133566 /nfs/dbraw/zinc/13/35/66/870133566.db2.gz GOEHYYAQQDHMRD-XXBNENTESA-N 2 1 377.532 3.533 20 0 GHADMP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000462819030 870152158 /nfs/dbraw/zinc/15/21/58/870152158.db2.gz SFBWKPLBKMIKBZ-KSEOMHKRSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000462871390 870227102 /nfs/dbraw/zinc/22/71/02/870227102.db2.gz PAOOZSYAWBPZMB-VEXUSMLFSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C[NH+](Cc2ccccc2)C1 ZINC000462871390 870227113 /nfs/dbraw/zinc/22/71/13/870227113.db2.gz PAOOZSYAWBPZMB-VEXUSMLFSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)C[NH+](Cc2ccccc2)C1 ZINC000462871390 870227124 /nfs/dbraw/zinc/22/71/24/870227124.db2.gz PAOOZSYAWBPZMB-VEXUSMLFSA-N 2 1 379.548 3.576 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC[C@H]21 ZINC000248050841 870274159 /nfs/dbraw/zinc/27/41/59/870274159.db2.gz WGASOYYJFVLNPH-WOIUINJBSA-N 2 1 377.532 3.572 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC[C@H]21 ZINC000248050841 870274168 /nfs/dbraw/zinc/27/41/68/870274168.db2.gz WGASOYYJFVLNPH-WOIUINJBSA-N 2 1 377.532 3.572 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000248064064 870277514 /nfs/dbraw/zinc/27/75/14/870277514.db2.gz ZDQAOTSNRFFZNX-AOHZBQACSA-N 2 1 380.532 3.509 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397560 870370117 /nfs/dbraw/zinc/37/01/17/870370117.db2.gz IAHUQLUDOKFWDC-BVSLBCMMSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397560 870370137 /nfs/dbraw/zinc/37/01/37/870370137.db2.gz IAHUQLUDOKFWDC-BVSLBCMMSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397560 870370154 /nfs/dbraw/zinc/37/01/54/870370154.db2.gz IAHUQLUDOKFWDC-BVSLBCMMSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248409581 870390362 /nfs/dbraw/zinc/39/03/62/870390362.db2.gz WTQVMCSTHYHHSY-FGYAAKKASA-N 2 1 390.616 3.592 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409581 870390382 /nfs/dbraw/zinc/39/03/82/870390382.db2.gz WTQVMCSTHYHHSY-FGYAAKKASA-N 2 1 390.616 3.592 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409581 870390474 /nfs/dbraw/zinc/39/04/74/870390474.db2.gz WTQVMCSTHYHHSY-FGYAAKKASA-N 2 1 390.616 3.592 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000248418609 870399485 /nfs/dbraw/zinc/39/94/85/870399485.db2.gz SXOJHUMQUYPBMC-RBZQAINGSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000248418609 870399565 /nfs/dbraw/zinc/39/95/65/870399565.db2.gz SXOJHUMQUYPBMC-RBZQAINGSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000248418609 870399602 /nfs/dbraw/zinc/39/96/02/870399602.db2.gz SXOJHUMQUYPBMC-RBZQAINGSA-N 2 1 397.607 3.522 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1)CC1CC1 ZINC001192500101 870436643 /nfs/dbraw/zinc/43/66/43/870436643.db2.gz HEBKUWZJASTCFP-UHFFFAOYSA-N 2 1 399.623 3.853 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000248504935 870462441 /nfs/dbraw/zinc/46/24/41/870462441.db2.gz VUHKHRZKONGUEQ-PWRODBHTSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000462958906 870542401 /nfs/dbraw/zinc/54/24/01/870542401.db2.gz RMUTTYHTWSGDPH-MISYRCLQSA-N 2 1 381.495 3.574 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000462958906 870542561 /nfs/dbraw/zinc/54/25/61/870542561.db2.gz RMUTTYHTWSGDPH-MISYRCLQSA-N 2 1 381.495 3.574 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000540161714 870626023 /nfs/dbraw/zinc/62/60/23/870626023.db2.gz USLOVJCXACJIEU-XUVXKRRUSA-N 2 1 378.944 3.911 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000248841190 870659837 /nfs/dbraw/zinc/65/98/37/870659837.db2.gz NWQFNJLMKJLLCO-KXBFYZLASA-N 2 1 381.358 3.848 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000122132757 882430064 /nfs/dbraw/zinc/43/00/64/882430064.db2.gz KTNQFMYOLVQAIL-PKOBYXMFSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000122132757 882430071 /nfs/dbraw/zinc/43/00/71/882430071.db2.gz KTNQFMYOLVQAIL-PKOBYXMFSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C(C)C)cc1Cl ZINC000525516340 870844704 /nfs/dbraw/zinc/84/47/04/870844704.db2.gz LSFJIQKTRMFLBB-ROUUACIJSA-N 2 1 382.976 3.785 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C(C)C)cc1Cl ZINC000525516340 870844710 /nfs/dbraw/zinc/84/47/10/870844710.db2.gz LSFJIQKTRMFLBB-ROUUACIJSA-N 2 1 382.976 3.785 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C(C)C)cc1Cl ZINC000525516340 870844719 /nfs/dbraw/zinc/84/47/19/870844719.db2.gz LSFJIQKTRMFLBB-ROUUACIJSA-N 2 1 382.976 3.785 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168833619 870890500 /nfs/dbraw/zinc/89/05/00/870890500.db2.gz JWEVJUNJEGTABH-APWZRJJASA-N 2 1 391.531 3.559 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168837098 870893946 /nfs/dbraw/zinc/89/39/46/870893946.db2.gz ZRBFBFXSZMVJJL-AFYVEPGGSA-N 2 1 388.556 3.551 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168837989 870895907 /nfs/dbraw/zinc/89/59/07/870895907.db2.gz FFJZWYVVXSMYCV-HNBVOPMISA-N 2 1 388.556 3.551 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130684 870950401 /nfs/dbraw/zinc/95/04/01/870950401.db2.gz HILLOFZQFOLRDU-REWPJTCUSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130684 870950408 /nfs/dbraw/zinc/95/04/08/870950408.db2.gz HILLOFZQFOLRDU-REWPJTCUSA-N 3 1 381.564 3.770 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946174 870954631 /nfs/dbraw/zinc/95/46/31/870954631.db2.gz YWVCFZWUGWPREZ-GOSISDBHSA-N 2 1 396.535 3.656 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463145787 870973830 /nfs/dbraw/zinc/97/38/30/870973830.db2.gz YOQUFDIPPFVOQV-NZQKXSOJSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463145787 870973836 /nfs/dbraw/zinc/97/38/36/870973836.db2.gz YOQUFDIPPFVOQV-NZQKXSOJSA-N 2 1 378.564 3.689 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169078751 871183220 /nfs/dbraw/zinc/18/32/20/871183220.db2.gz FWOXNYTUJRIPGE-MZADTFQBSA-N 2 1 385.552 3.695 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC001193649367 871215802 /nfs/dbraw/zinc/21/58/02/871215802.db2.gz PDUZWRAWEUTEDR-ZFWWWQNUSA-N 2 1 375.376 3.737 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC001193649367 871215817 /nfs/dbraw/zinc/21/58/17/871215817.db2.gz PDUZWRAWEUTEDR-ZFWWWQNUSA-N 2 1 375.376 3.737 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131730 871221377 /nfs/dbraw/zinc/22/13/77/871221377.db2.gz YIYKWFPMZULUGB-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)CC(=O)N(CC1CC1)c1ccccc13)C2 ZINC001169139028 871229064 /nfs/dbraw/zinc/22/90/64/871229064.db2.gz LTDLSOLDJYCTMI-AERCQKQUSA-N 2 1 393.575 3.792 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc31)C2 ZINC001169108512 871232200 /nfs/dbraw/zinc/23/22/00/871232200.db2.gz ADDNLOOORLRQTI-DMUMMCEESA-N 2 1 383.536 3.651 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc31)C2 ZINC001169108512 871232216 /nfs/dbraw/zinc/23/22/16/871232216.db2.gz ADDNLOOORLRQTI-DMUMMCEESA-N 2 1 383.536 3.651 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000793930514 882489342 /nfs/dbraw/zinc/48/93/42/882489342.db2.gz YAFAZKVVYFDAKH-GKBKNJALSA-N 2 1 391.559 3.867 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000793930514 882489350 /nfs/dbraw/zinc/48/93/50/882489350.db2.gz YAFAZKVVYFDAKH-GKBKNJALSA-N 2 1 391.559 3.867 20 0 GHADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539073360 871262925 /nfs/dbraw/zinc/26/29/25/871262925.db2.gz QUVLWFMCSMQYKI-OKZBNKHCSA-N 2 1 395.975 3.845 20 0 GHADMP Cc1cc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000539107240 871283038 /nfs/dbraw/zinc/28/30/38/871283038.db2.gz QNQIDUFDKKHDLS-RTBURBONSA-N 2 1 383.536 3.638 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c(C)n2n1 ZINC000091733450 871328987 /nfs/dbraw/zinc/32/89/87/871328987.db2.gz CWFVTQGPEFNPSK-ZJBJCVSYSA-N 2 1 377.536 3.907 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c(C)n2n1 ZINC000091733450 871329005 /nfs/dbraw/zinc/32/90/05/871329005.db2.gz CWFVTQGPEFNPSK-ZJBJCVSYSA-N 2 1 377.536 3.907 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)C3CCCCC3)CC2)cc1 ZINC001193848613 871350109 /nfs/dbraw/zinc/35/01/09/871350109.db2.gz IKIYDCHBQMIMKA-UHFFFAOYSA-N 2 1 385.596 3.978 20 0 GHADMP COC(=O)CCC[NH+]1CCC(Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000463302669 871371877 /nfs/dbraw/zinc/37/18/77/871371877.db2.gz PYOGTOPDOUTQQA-LJQANCHMSA-N 2 1 387.568 3.748 20 0 GHADMP O=C1CCC2(CCC(CNc3ccc4c(c3)[nH+]cn4[C@@H]3CCC[NH2+]CC3)CC2)N1 ZINC001169296460 871389855 /nfs/dbraw/zinc/38/98/55/871389855.db2.gz XBOHYYONYKRJMO-ZUZNIGHFSA-N 2 1 395.551 3.602 20 0 GHADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000539200091 871487432 /nfs/dbraw/zinc/48/74/32/871487432.db2.gz ASGXCFVPZFJMGA-CRAIPNDOSA-N 2 1 386.367 3.868 20 0 GHADMP CC(C)[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000539201229 871493623 /nfs/dbraw/zinc/49/36/23/871493623.db2.gz RYRXKBTUUIAFTO-FQEVSTJZSA-N 2 1 399.501 3.935 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1)c1ccccc1 ZINC001169496368 871552979 /nfs/dbraw/zinc/55/29/79/871552979.db2.gz JGJYFHWIWQNHPA-ICDZXHCJSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc4cc(C)ccc4o3)CC2)CC1 ZINC000618473570 871657398 /nfs/dbraw/zinc/65/73/98/871657398.db2.gz ZGWMEKWYFOGGMU-UHFFFAOYSA-N 2 1 383.536 3.554 20 0 GHADMP COCC[NH+]1CCC([NH2+]CC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)CC1 ZINC000462123395 871659130 /nfs/dbraw/zinc/65/91/30/871659130.db2.gz WDBGQWGGBCVQEW-UHFFFAOYSA-N 2 1 387.568 3.503 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169703540 871784999 /nfs/dbraw/zinc/78/49/99/871784999.db2.gz MECNCULRKQFCPY-GMAHTHKFSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169703540 871785010 /nfs/dbraw/zinc/78/50/10/871785010.db2.gz MECNCULRKQFCPY-GMAHTHKFSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169703540 871785032 /nfs/dbraw/zinc/78/50/32/871785032.db2.gz MECNCULRKQFCPY-GMAHTHKFSA-N 2 1 385.552 3.595 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000462186436 871792734 /nfs/dbraw/zinc/79/27/34/871792734.db2.gz GBTUMOQIHGQKTR-XXBNENTESA-N 2 1 377.532 3.533 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000447536685 871799677 /nfs/dbraw/zinc/79/96/77/871799677.db2.gz PFUADIKIKOPEIG-TWDDROGUSA-N 2 1 382.523 3.762 20 0 GHADMP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579899 871926007 /nfs/dbraw/zinc/92/60/07/871926007.db2.gz MHTPSRSJGQQTSM-XQUALCHDSA-N 2 1 389.543 3.573 20 0 GHADMP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579899 871926017 /nfs/dbraw/zinc/92/60/17/871926017.db2.gz MHTPSRSJGQQTSM-XQUALCHDSA-N 2 1 389.543 3.573 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000552111089 872035200 /nfs/dbraw/zinc/03/52/00/872035200.db2.gz PSNNDPFEVWQCAN-XMMPIXPASA-N 2 1 387.531 3.852 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000552111089 872035217 /nfs/dbraw/zinc/03/52/17/872035217.db2.gz PSNNDPFEVWQCAN-XMMPIXPASA-N 2 1 387.531 3.852 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000552111089 872035230 /nfs/dbraw/zinc/03/52/30/872035230.db2.gz PSNNDPFEVWQCAN-XMMPIXPASA-N 2 1 387.531 3.852 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000552111089 872035245 /nfs/dbraw/zinc/03/52/45/872035245.db2.gz PSNNDPFEVWQCAN-XMMPIXPASA-N 2 1 387.531 3.852 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169946010 872047134 /nfs/dbraw/zinc/04/71/34/872047134.db2.gz SDZQSEZBBUEBQP-VURPSTOHSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169946010 872047152 /nfs/dbraw/zinc/04/71/52/872047152.db2.gz SDZQSEZBBUEBQP-VURPSTOHSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169946010 872047175 /nfs/dbraw/zinc/04/71/75/872047175.db2.gz SDZQSEZBBUEBQP-VURPSTOHSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](C)CCCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000552124212 872100827 /nfs/dbraw/zinc/10/08/27/872100827.db2.gz FULHAMBCHJONAB-UHFFFAOYSA-N 2 1 379.548 3.652 20 0 GHADMP CCC[N@H+](Cc1ccc(OC)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417573 872167134 /nfs/dbraw/zinc/16/71/34/872167134.db2.gz KGEZRIKQNUMENP-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417573 872167137 /nfs/dbraw/zinc/16/71/37/872167137.db2.gz KGEZRIKQNUMENP-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001195425792 872413343 /nfs/dbraw/zinc/41/33/43/872413343.db2.gz MFDVFFRZTFICRI-JMJGKCIBSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001195425792 872413350 /nfs/dbraw/zinc/41/33/50/872413350.db2.gz MFDVFFRZTFICRI-JMJGKCIBSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001195425792 872413354 /nfs/dbraw/zinc/41/33/54/872413354.db2.gz MFDVFFRZTFICRI-JMJGKCIBSA-N 2 1 397.607 3.914 20 0 GHADMP COc1ccc2c(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc[nH+]c2c1 ZINC000767312587 872415023 /nfs/dbraw/zinc/41/50/23/872415023.db2.gz SOQCVLYADSSROJ-LJQANCHMSA-N 2 1 377.488 3.812 20 0 GHADMP Cc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)oc2c1c(C)ccc2C ZINC000619237332 872475072 /nfs/dbraw/zinc/47/50/72/872475072.db2.gz LHDAEKVGXPDCMU-UHFFFAOYSA-N 2 1 378.476 3.757 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000527087385 872587713 /nfs/dbraw/zinc/58/77/13/872587713.db2.gz OJJLUEZLDJJMFO-VQTJNVASSA-N 2 1 386.584 3.909 20 0 GHADMP Cc1ccc(-c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)s2)o1 ZINC000540984933 872673459 /nfs/dbraw/zinc/67/34/59/872673459.db2.gz XCAFZSYDCJUUON-UHFFFAOYSA-N 2 1 382.489 3.716 20 0 GHADMP CCC[N@H+](Cc1cccc2nccn21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000775700899 872956007 /nfs/dbraw/zinc/95/60/07/872956007.db2.gz QVKKKXQKRMZRKK-UHFFFAOYSA-N 2 1 378.524 3.622 20 0 GHADMP CCC[N@@H+](Cc1cccc2nccn21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000775700899 872956014 /nfs/dbraw/zinc/95/60/14/872956014.db2.gz QVKKKXQKRMZRKK-UHFFFAOYSA-N 2 1 378.524 3.622 20 0 GHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262219167 873057795 /nfs/dbraw/zinc/05/77/95/873057795.db2.gz MOKDERKTHGHINN-QWQRMKEZSA-N 2 1 384.351 3.635 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1NC(C)=O ZINC000122797539 882711872 /nfs/dbraw/zinc/71/18/72/882711872.db2.gz ZOBNSBOMBAFTME-QGZVFWFLSA-N 2 1 381.520 3.753 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1NC(C)=O ZINC000122797539 882711885 /nfs/dbraw/zinc/71/18/85/882711885.db2.gz ZOBNSBOMBAFTME-QGZVFWFLSA-N 2 1 381.520 3.753 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000541537324 873826567 /nfs/dbraw/zinc/82/65/67/873826567.db2.gz LTSIRSOCHANQOR-QHCPKHFHSA-N 2 1 376.504 3.799 20 0 GHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cs2)o1 ZINC000541667712 874087808 /nfs/dbraw/zinc/08/78/08/874087808.db2.gz XBYJXYLBYKHULK-UHFFFAOYSA-N 2 1 388.581 3.561 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000769555771 874156949 /nfs/dbraw/zinc/15/69/49/874156949.db2.gz VTUYUJHMYVEXIP-OAQYLSRUSA-N 2 1 388.625 3.732 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000528290467 874342952 /nfs/dbraw/zinc/34/29/52/874342952.db2.gz XPLWVORBGADKQB-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528290467 874342968 /nfs/dbraw/zinc/34/29/68/874342968.db2.gz XPLWVORBGADKQB-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528290467 874342980 /nfs/dbraw/zinc/34/29/80/874342980.db2.gz XPLWVORBGADKQB-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307109 874345616 /nfs/dbraw/zinc/34/56/16/874345616.db2.gz YXWFATPZPNKNCP-UYAOXDASSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307109 874345628 /nfs/dbraw/zinc/34/56/28/874345628.db2.gz YXWFATPZPNKNCP-UYAOXDASSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307109 874345645 /nfs/dbraw/zinc/34/56/45/874345645.db2.gz YXWFATPZPNKNCP-UYAOXDASSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307109 874345658 /nfs/dbraw/zinc/34/56/58/874345658.db2.gz YXWFATPZPNKNCP-UYAOXDASSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307109 874345674 /nfs/dbraw/zinc/34/56/74/874345674.db2.gz YXWFATPZPNKNCP-UYAOXDASSA-N 2 1 377.960 3.541 20 0 GHADMP Cc1cc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000449031123 874369690 /nfs/dbraw/zinc/36/96/90/874369690.db2.gz UHXZRVCKGFRVSE-UHFFFAOYSA-N 2 1 385.577 3.517 20 0 GHADMP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000770324279 874598830 /nfs/dbraw/zinc/59/88/30/874598830.db2.gz MYQVYBURUBALBP-UNMCSNQZSA-N 2 1 384.520 3.842 20 0 GHADMP C[N@@H+](CCCOc1ccc2c(c1)OCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464842134 874613172 /nfs/dbraw/zinc/61/31/72/874613172.db2.gz FSDNZARPIAOEBY-HXUWFJFHSA-N 2 1 382.504 3.638 20 0 GHADMP C[NH+](CCCOc1ccc2c(c1)OCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842134 874613178 /nfs/dbraw/zinc/61/31/78/874613178.db2.gz FSDNZARPIAOEBY-HXUWFJFHSA-N 2 1 382.504 3.638 20 0 GHADMP C[NH+](CCCOc1ccc2c(c1)OCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464842134 874613186 /nfs/dbraw/zinc/61/31/86/874613186.db2.gz FSDNZARPIAOEBY-HXUWFJFHSA-N 2 1 382.504 3.638 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccco2)C1 ZINC000464858448 874657799 /nfs/dbraw/zinc/65/77/99/874657799.db2.gz WJPPXJNEYGJZPY-KNQAVFIVSA-N 2 1 395.547 3.965 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccco2)C1 ZINC000464858448 874657803 /nfs/dbraw/zinc/65/78/03/874657803.db2.gz WJPPXJNEYGJZPY-KNQAVFIVSA-N 2 1 395.547 3.965 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508879665 874666488 /nfs/dbraw/zinc/66/64/88/874666488.db2.gz JWVSMSKYDOMNJB-VJBMBRPKSA-N 2 1 394.563 3.594 20 0 GHADMP C[C@@H]1CCN(C(=O)NCCCCCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000745781187 874799962 /nfs/dbraw/zinc/79/99/62/874799962.db2.gz YJNORLYUFNEKIQ-OAQYLSRUSA-N 2 1 388.600 3.805 20 0 GHADMP [NH3+]C1(Cc2cccc(Cl)c2)CCN(C(=O)c2c[nH+]ccc2N2CCCC2)CC1 ZINC001199370449 874950531 /nfs/dbraw/zinc/95/05/31/874950531.db2.gz CTERJRGGIYIVRR-UHFFFAOYSA-N 2 1 398.938 3.511 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449512366 874977294 /nfs/dbraw/zinc/97/72/94/874977294.db2.gz ZNXQVIHJOWSSDC-QHCPKHFHSA-N 2 1 399.623 3.793 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449512366 874977299 /nfs/dbraw/zinc/97/72/99/874977299.db2.gz ZNXQVIHJOWSSDC-QHCPKHFHSA-N 2 1 399.623 3.793 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449512366 874977305 /nfs/dbraw/zinc/97/73/05/874977305.db2.gz ZNXQVIHJOWSSDC-QHCPKHFHSA-N 2 1 399.623 3.793 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449512366 874977309 /nfs/dbraw/zinc/97/73/09/874977309.db2.gz ZNXQVIHJOWSSDC-QHCPKHFHSA-N 2 1 399.623 3.793 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC(=O)Nc3cccc(C)c3)CCCC2)CC1 ZINC000542179906 875096142 /nfs/dbraw/zinc/09/61/42/875096142.db2.gz QJKBHDBSWRZCDK-IBGZPJMESA-N 2 1 387.568 3.725 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000542282395 875298607 /nfs/dbraw/zinc/29/86/07/875298607.db2.gz UTXKNSXHEPZNJN-NRFANRHFSA-N 2 1 389.971 3.594 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@@H](c4cccc(Cl)c4)C3)cn2)CC1 ZINC000449789126 875411938 /nfs/dbraw/zinc/41/19/38/875411938.db2.gz GJSMRKOWIMSNMA-TZIWHRDSSA-N 2 1 399.970 3.698 20 0 GHADMP CC(C)=CCC[C@H](C)CC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001201974650 875937743 /nfs/dbraw/zinc/93/77/43/875937743.db2.gz YPNWULIGBHWJLC-FQEVSTJZSA-N 2 1 386.584 3.817 20 0 GHADMP CC(C)=CCC[C@H](C)CC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001201974650 875937751 /nfs/dbraw/zinc/93/77/51/875937751.db2.gz YPNWULIGBHWJLC-FQEVSTJZSA-N 2 1 386.584 3.817 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000542495116 883005354 /nfs/dbraw/zinc/00/53/54/883005354.db2.gz UWINMKFZOGCSCK-HYFFOGBASA-N 2 1 389.490 3.928 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000542495116 883005366 /nfs/dbraw/zinc/00/53/66/883005366.db2.gz UWINMKFZOGCSCK-HYFFOGBASA-N 2 1 389.490 3.928 20 0 GHADMP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000173402278 876364416 /nfs/dbraw/zinc/36/44/16/876364416.db2.gz NNVJZGWIVFVRED-UTKZUKDTSA-N 2 1 397.588 3.957 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000858351554 883042321 /nfs/dbraw/zinc/04/23/21/883042321.db2.gz RCZRRZKYNPLGHG-HAGHYFMRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000858351556 883042460 /nfs/dbraw/zinc/04/24/60/883042460.db2.gz RCZRRZKYNPLGHG-WCIQWLHISA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC000450576081 876636823 /nfs/dbraw/zinc/63/68/23/876636823.db2.gz OHTQBDYAXIDZBW-XPWALMASSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC000450576081 876636830 /nfs/dbraw/zinc/63/68/30/876636830.db2.gz OHTQBDYAXIDZBW-XPWALMASSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000450576081 876636840 /nfs/dbraw/zinc/63/68/40/876636840.db2.gz OHTQBDYAXIDZBW-XPWALMASSA-N 2 1 378.649 3.518 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000173822076 876665519 /nfs/dbraw/zinc/66/55/19/876665519.db2.gz FMZNPAHSRNWCNV-MRXNPFEDSA-N 2 1 376.447 3.971 20 0 GHADMP Cc1cncc(-c2nc(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)no2)c1 ZINC000450645952 876705540 /nfs/dbraw/zinc/70/55/40/876705540.db2.gz DKWIYXTURXHRTA-UHFFFAOYSA-N 2 1 392.507 3.574 20 0 GHADMP Cc1cncc(-c2nc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)no2)c1 ZINC000450645952 876705551 /nfs/dbraw/zinc/70/55/51/876705551.db2.gz DKWIYXTURXHRTA-UHFFFAOYSA-N 2 1 392.507 3.574 20 0 GHADMP CC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661495 883057377 /nfs/dbraw/zinc/05/73/77/883057377.db2.gz QNMGELNMHWNLSK-HXUWFJFHSA-N 2 1 396.531 3.810 20 0 GHADMP CC[N@H+](Cc1cc(OC)c2c(c1)OCCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661495 883057399 /nfs/dbraw/zinc/05/73/99/883057399.db2.gz QNMGELNMHWNLSK-HXUWFJFHSA-N 2 1 396.531 3.810 20 0 GHADMP CC[NH+](Cc1cc(OC)c2c(c1)OCCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661495 883057421 /nfs/dbraw/zinc/05/74/21/883057421.db2.gz QNMGELNMHWNLSK-HXUWFJFHSA-N 2 1 396.531 3.810 20 0 GHADMP CC[NH+](Cc1cc(OC)c2c(c1)OCCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661495 883057442 /nfs/dbraw/zinc/05/74/42/883057442.db2.gz QNMGELNMHWNLSK-HXUWFJFHSA-N 2 1 396.531 3.810 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3N3CCCCC3)cc2)C1 ZINC000850357198 876846816 /nfs/dbraw/zinc/84/68/16/876846816.db2.gz AODBYSFJECPMSV-HSZRJFAPSA-N 2 1 379.548 3.533 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc(C)c1OC(F)F ZINC000850357285 876847839 /nfs/dbraw/zinc/84/78/39/876847839.db2.gz DODJLIYGIUFQIB-HXUWFJFHSA-N 2 1 390.474 3.761 20 0 GHADMP O[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000850421683 876903085 /nfs/dbraw/zinc/90/30/85/876903085.db2.gz XKPBGNVKXUTKIR-FQEVSTJZSA-N 2 1 396.428 3.573 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000850421683 876903091 /nfs/dbraw/zinc/90/30/91/876903091.db2.gz XKPBGNVKXUTKIR-FQEVSTJZSA-N 2 1 396.428 3.573 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000850425433 876907284 /nfs/dbraw/zinc/90/72/84/876907284.db2.gz MGOKCQGCYCSIOD-LJQANCHMSA-N 2 1 379.548 3.610 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134893072 883094420 /nfs/dbraw/zinc/09/44/20/883094420.db2.gz XNQAWFCFEKKWGG-NFBKMPQASA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134893072 883094429 /nfs/dbraw/zinc/09/44/29/883094429.db2.gz XNQAWFCFEKKWGG-NFBKMPQASA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134893072 883094448 /nfs/dbraw/zinc/09/44/48/883094448.db2.gz XNQAWFCFEKKWGG-NFBKMPQASA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134893072 883094456 /nfs/dbraw/zinc/09/44/56/883094456.db2.gz XNQAWFCFEKKWGG-NFBKMPQASA-N 2 1 393.531 3.658 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000477223803 877237306 /nfs/dbraw/zinc/23/73/06/877237306.db2.gz RMZUFJNFOMZIGH-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000477240808 877274548 /nfs/dbraw/zinc/27/45/48/877274548.db2.gz ACKGFBVQYGIOTD-TZIWHRDSSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000477240808 877274562 /nfs/dbraw/zinc/27/45/62/877274562.db2.gz ACKGFBVQYGIOTD-TZIWHRDSSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000477240808 877274577 /nfs/dbraw/zinc/27/45/77/877274577.db2.gz ACKGFBVQYGIOTD-TZIWHRDSSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000477240808 877274591 /nfs/dbraw/zinc/27/45/91/877274591.db2.gz ACKGFBVQYGIOTD-TZIWHRDSSA-N 2 1 386.584 3.585 20 0 GHADMP Clc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248614 877346417 /nfs/dbraw/zinc/34/64/17/877346417.db2.gz NGOXDMXUGRXEIA-OAHLLOKOSA-N 2 1 387.749 3.693 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000080166771 877482860 /nfs/dbraw/zinc/48/28/60/877482860.db2.gz IJBRYBDXQKADOF-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000080166771 877482870 /nfs/dbraw/zinc/48/28/70/877482870.db2.gz IJBRYBDXQKADOF-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000080166771 877482881 /nfs/dbraw/zinc/48/28/81/877482881.db2.gz IJBRYBDXQKADOF-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000137766445 877608581 /nfs/dbraw/zinc/60/85/81/877608581.db2.gz MKSAYANCGKBMAX-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000137766445 877608584 /nfs/dbraw/zinc/60/85/84/877608584.db2.gz MKSAYANCGKBMAX-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000137766445 877608587 /nfs/dbraw/zinc/60/85/87/877608587.db2.gz MKSAYANCGKBMAX-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000245446312 877894268 /nfs/dbraw/zinc/89/42/68/877894268.db2.gz ZSOLVCAXQZPJTF-AZUAARDMSA-N 2 1 394.629 3.939 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000615583160 877900017 /nfs/dbraw/zinc/90/00/17/877900017.db2.gz MQRDAHYOCPFBTM-VQTJNVASSA-N 2 1 386.584 3.957 20 0 GHADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713520 912294494 /nfs/dbraw/zinc/29/44/94/912294494.db2.gz ZAHZXMLGXMXRLU-MRXNPFEDSA-N 2 1 379.495 3.880 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176010312 878034397 /nfs/dbraw/zinc/03/43/97/878034397.db2.gz DVWPFBILJNCDSH-HXUWFJFHSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548093 878035453 /nfs/dbraw/zinc/03/54/53/878035453.db2.gz JUSHMTFVIQEJCL-VJBWXMMDSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548093 878035473 /nfs/dbraw/zinc/03/54/73/878035473.db2.gz JUSHMTFVIQEJCL-VJBWXMMDSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)CC1 ZINC000530548093 878035490 /nfs/dbraw/zinc/03/54/90/878035490.db2.gz JUSHMTFVIQEJCL-VJBWXMMDSA-N 2 1 380.617 3.655 20 0 GHADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000477725227 878077729 /nfs/dbraw/zinc/07/77/29/878077729.db2.gz YOUHWVQDVNBOIT-GSPCLOLRSA-N 2 1 378.564 3.822 20 0 GHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177356798 878663367 /nfs/dbraw/zinc/66/33/67/878663367.db2.gz FKOFFGCHIMRVFP-UHFFFAOYSA-N 2 1 398.595 3.531 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538044197 878752119 /nfs/dbraw/zinc/75/21/19/878752119.db2.gz BBTNNBJNJDWJHY-KZNAEPCWSA-N 2 1 380.960 3.991 20 0 GHADMP Cc1ccc2[nH]c(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2c1 ZINC000530949679 878824061 /nfs/dbraw/zinc/82/40/61/878824061.db2.gz LHMRNCBUSQDNON-UHFFFAOYSA-N 2 1 396.579 3.745 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccccc3OC(F)F)CC2)CC1 ZINC000530949545 878824178 /nfs/dbraw/zinc/82/41/78/878824178.db2.gz HLYGGHPYIVPIHJ-UHFFFAOYSA-N 2 1 395.538 3.916 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120228 878827707 /nfs/dbraw/zinc/82/77/07/878827707.db2.gz HPNZUPPSKQQAMO-UGKGYDQZSA-N 2 1 386.486 3.890 20 0 GHADMP COC(=O)c1oc([C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000538148965 878950427 /nfs/dbraw/zinc/95/04/27/878950427.db2.gz UGPQVDCXKVBHJJ-FGTMMUONSA-N 2 1 392.540 3.647 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000064644606 878987390 /nfs/dbraw/zinc/98/73/90/878987390.db2.gz MSEUKXCDAKFEQX-SFHVURJKSA-N 2 1 392.613 3.524 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000531051558 879020819 /nfs/dbraw/zinc/02/08/19/879020819.db2.gz VHNJXXYMNGRLOL-APWZRJJASA-N 2 1 399.501 3.935 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000531078043 879046486 /nfs/dbraw/zinc/04/64/86/879046486.db2.gz DQLIKBZHKZEOHK-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000776693667 879320642 /nfs/dbraw/zinc/32/06/42/879320642.db2.gz KUBGMBZRYKNMFX-UGKGYDQZSA-N 2 1 387.568 3.744 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000776693667 879320661 /nfs/dbraw/zinc/32/06/61/879320661.db2.gz KUBGMBZRYKNMFX-UGKGYDQZSA-N 2 1 387.568 3.744 20 0 GHADMP CSc1cccc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000493248949 879348674 /nfs/dbraw/zinc/34/86/74/879348674.db2.gz PDRWGLJKLJHCJU-FQEVSTJZSA-N 2 1 392.515 3.822 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CC3 ZINC000493251762 879351702 /nfs/dbraw/zinc/35/17/02/879351702.db2.gz VIEQJXWSHLTZKI-NBGIEHNGSA-N 2 1 389.543 3.560 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC3 ZINC000493251762 879351717 /nfs/dbraw/zinc/35/17/17/879351717.db2.gz VIEQJXWSHLTZKI-NBGIEHNGSA-N 2 1 389.543 3.560 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CCCC1)c1ccccc1 ZINC000246290054 879353121 /nfs/dbraw/zinc/35/31/21/879353121.db2.gz KUUMQIZSAXKSKD-SVFBPWRDSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246344121 879432575 /nfs/dbraw/zinc/43/25/75/879432575.db2.gz FATNQZLGEIPXDF-VCOUNFBDSA-N 2 1 398.595 3.774 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000246455228 879577639 /nfs/dbraw/zinc/57/76/39/879577639.db2.gz FQFYZWAPXZWNFY-OIBXWCBGSA-N 2 1 379.548 3.849 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000493734962 879624902 /nfs/dbraw/zinc/62/49/02/879624902.db2.gz JDPASKVUWYISGN-OAQYLSRUSA-N 2 1 398.551 3.589 20 0 GHADMP CC(C)c1ccc(C[C@H]2CC[N@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)cc1 ZINC000790382999 879653235 /nfs/dbraw/zinc/65/32/35/879653235.db2.gz HRYKKJRPZNJBBY-YKSBVNFPSA-N 2 1 397.563 3.549 20 0 GHADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)cc1 ZINC000790382999 879653248 /nfs/dbraw/zinc/65/32/48/879653248.db2.gz HRYKKJRPZNJBBY-YKSBVNFPSA-N 2 1 397.563 3.549 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)N(CN1C[C@]2(CN3CCC2CC3)OC1=O)C1CC1 ZINC000790370075 879672383 /nfs/dbraw/zinc/67/23/83/879672383.db2.gz NXWJRUBGSLHPFW-BTYIYWSLSA-N 2 1 389.927 3.740 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378318 879691466 /nfs/dbraw/zinc/69/14/66/879691466.db2.gz BFCKNAXZCMUBCE-AABGKKOBSA-N 2 1 379.548 3.960 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378318 879691479 /nfs/dbraw/zinc/69/14/79/879691479.db2.gz BFCKNAXZCMUBCE-AABGKKOBSA-N 2 1 379.548 3.960 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378318 879691494 /nfs/dbraw/zinc/69/14/94/879691494.db2.gz BFCKNAXZCMUBCE-AABGKKOBSA-N 2 1 379.548 3.960 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000246739128 879784647 /nfs/dbraw/zinc/78/46/47/879784647.db2.gz GQHOZLRUEGVIRZ-RLFYNMQTSA-N 2 1 394.357 3.501 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349678 879978385 /nfs/dbraw/zinc/97/83/85/879978385.db2.gz OXNRBAOTQFWGBM-MNPDLOSFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349678 879978390 /nfs/dbraw/zinc/97/83/90/879978390.db2.gz OXNRBAOTQFWGBM-MNPDLOSFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349678 879978398 /nfs/dbraw/zinc/97/83/98/879978398.db2.gz OXNRBAOTQFWGBM-MNPDLOSFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349678 879978412 /nfs/dbraw/zinc/97/84/12/879978412.db2.gz OXNRBAOTQFWGBM-MNPDLOSFSA-N 2 1 396.575 3.876 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000790749344 879979675 /nfs/dbraw/zinc/97/96/75/879979675.db2.gz ZAHFLPLFLXPKCM-VXGVFTFCSA-N 2 1 399.579 3.934 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494213546 879997379 /nfs/dbraw/zinc/99/73/79/879997379.db2.gz UNUZCDUWJRPHQN-QSFXBCCZSA-N 2 1 381.923 3.603 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494213546 879997390 /nfs/dbraw/zinc/99/73/90/879997390.db2.gz UNUZCDUWJRPHQN-QSFXBCCZSA-N 2 1 381.923 3.603 20 0 GHADMP CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)CC1CCN(c2ccccn2)CC1 ZINC000247553447 880024114 /nfs/dbraw/zinc/02/41/14/880024114.db2.gz QDBKZOCRVWAACE-FCHUYYIVSA-N 2 1 398.595 3.801 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000123206017 880134753 /nfs/dbraw/zinc/13/47/53/880134753.db2.gz HTCOBMLIYBLTLD-HKUYNNGSSA-N 2 1 383.540 3.615 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000123206017 880134768 /nfs/dbraw/zinc/13/47/68/880134768.db2.gz HTCOBMLIYBLTLD-HKUYNNGSSA-N 2 1 383.540 3.615 20 0 GHADMP C[C@H](CCCc1cccnc1)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000453080395 880433360 /nfs/dbraw/zinc/43/33/60/880433360.db2.gz LRACBTDMPFCFDD-QPPBQGQZSA-N 2 1 380.580 3.761 20 0 GHADMP c1cnn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453083208 880439498 /nfs/dbraw/zinc/43/94/98/880439498.db2.gz MYXUYDPNUUGZPH-VJBWXMMDSA-N 2 1 387.531 3.800 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCC3([NH+]4CCCC4)CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453094928 880460584 /nfs/dbraw/zinc/46/05/84/880460584.db2.gz GOWBUIWXSOCMPP-KMDXXIMOSA-N 2 1 397.607 3.664 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119418 912576277 /nfs/dbraw/zinc/57/62/77/912576277.db2.gz NZZMMDOURXYXLF-ABSDTBQOSA-N 2 1 379.504 3.579 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119418 912576286 /nfs/dbraw/zinc/57/62/86/912576286.db2.gz NZZMMDOURXYXLF-ABSDTBQOSA-N 2 1 379.504 3.579 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453295284 880743464 /nfs/dbraw/zinc/74/34/64/880743464.db2.gz YEGMFYWLATZUER-CTNGQTDRSA-N 2 1 385.596 3.696 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000531932837 880783450 /nfs/dbraw/zinc/78/34/50/880783450.db2.gz FHRZQJGJLCILDF-GHTZIAJQSA-N 2 1 395.576 3.573 20 0 GHADMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)sc1Br ZINC000531953912 880814685 /nfs/dbraw/zinc/81/46/85/880814685.db2.gz IOQYCZLGDJDDIC-OKILXGFUSA-N 2 1 375.376 3.798 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC(=O)Nc3ccccc3C)CCCC2)CC1 ZINC000531975994 880854581 /nfs/dbraw/zinc/85/45/81/880854581.db2.gz XALVNUWGESUKJY-LJQANCHMSA-N 2 1 387.568 3.725 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000792123212 880954426 /nfs/dbraw/zinc/95/44/26/880954426.db2.gz GWJYLYWVBAJPJM-UVKLAMSESA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000643325988 912630408 /nfs/dbraw/zinc/63/04/08/912630408.db2.gz ZHRUSRRFWMJCEA-XEVCZEQESA-N 2 1 387.568 3.542 20 0 GHADMP CN(C)C(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000499150322 881304843 /nfs/dbraw/zinc/30/48/43/881304843.db2.gz WGHXJNFFBKRAIR-JLLPCOHGSA-N 2 1 391.559 3.991 20 0 GHADMP CN(C)C(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499150322 881304858 /nfs/dbraw/zinc/30/48/58/881304858.db2.gz WGHXJNFFBKRAIR-JLLPCOHGSA-N 2 1 391.559 3.991 20 0 GHADMP O=C(c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1)N1CCCCC1 ZINC000134937417 883121803 /nfs/dbraw/zinc/12/18/03/883121803.db2.gz HAOALKICNODXCQ-GGAORHGYSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1)N1CCCCC1 ZINC000134937417 883121811 /nfs/dbraw/zinc/12/18/11/883121811.db2.gz HAOALKICNODXCQ-GGAORHGYSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1)N1CCCCC1 ZINC000134937417 883121820 /nfs/dbraw/zinc/12/18/20/883121820.db2.gz HAOALKICNODXCQ-GGAORHGYSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1)N1CCCCC1 ZINC000134937417 883121829 /nfs/dbraw/zinc/12/18/29/883121829.db2.gz HAOALKICNODXCQ-GGAORHGYSA-N 2 1 381.564 3.761 20 0 GHADMP C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182687130 883230333 /nfs/dbraw/zinc/23/03/33/883230333.db2.gz YHQBVUAOWHHTCP-MOPGFXCFSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000195614973 883496797 /nfs/dbraw/zinc/49/67/97/883496797.db2.gz QRBFCUQQCOXMKX-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000476991013 883526804 /nfs/dbraw/zinc/52/68/04/883526804.db2.gz YCWKJSZKIXTCNS-ICSRJNTNSA-N 2 1 378.532 3.542 20 0 GHADMP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476984790 883540635 /nfs/dbraw/zinc/54/06/35/883540635.db2.gz MVKPCMSZNWAPNE-RTBURBONSA-N 2 1 391.625 3.772 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000476985542 883541330 /nfs/dbraw/zinc/54/13/30/883541330.db2.gz NSAPYAPWIFVBSA-KRWDZBQOSA-N 2 1 393.522 3.558 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000476985542 883541343 /nfs/dbraw/zinc/54/13/43/883541343.db2.gz NSAPYAPWIFVBSA-KRWDZBQOSA-N 2 1 393.522 3.558 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000477026188 883564747 /nfs/dbraw/zinc/56/47/47/883564747.db2.gz VFXWTWHKPRSVQL-WMLDXEAASA-N 2 1 385.474 3.563 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551270162 883580146 /nfs/dbraw/zinc/58/01/46/883580146.db2.gz AATPCMPBEFMEAV-GOSISDBHSA-N 2 1 395.551 3.593 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551270162 883580159 /nfs/dbraw/zinc/58/01/59/883580159.db2.gz AATPCMPBEFMEAV-GOSISDBHSA-N 2 1 395.551 3.593 20 0 GHADMP Cc1ccccc1SC[C@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859207431 883661413 /nfs/dbraw/zinc/66/14/13/883661413.db2.gz YGZBDDWTZHGYLG-VMSMKEMKSA-N 2 1 387.637 3.966 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000859213123 883665846 /nfs/dbraw/zinc/66/58/46/883665846.db2.gz RVKJQYUVLBZSJT-HTAPYJJXSA-N 2 1 383.511 3.681 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)C1 ZINC000859294463 883724050 /nfs/dbraw/zinc/72/40/50/883724050.db2.gz NEHYNAVQFJQBQM-GOSISDBHSA-N 2 1 388.556 3.656 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000079198844 883743749 /nfs/dbraw/zinc/74/37/49/883743749.db2.gz DMWVEXTUGBJBGT-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP Cc1ccc(Cl)c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211911588 883818602 /nfs/dbraw/zinc/81/86/02/883818602.db2.gz RNYFKISNBOUTSW-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccc(Cl)c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211911588 883818616 /nfs/dbraw/zinc/81/86/16/883818616.db2.gz RNYFKISNBOUTSW-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP CN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006029 /nfs/dbraw/zinc/00/60/29/884006029.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 2 1 393.575 3.568 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006038 /nfs/dbraw/zinc/00/60/38/884006038.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006053 /nfs/dbraw/zinc/00/60/53/884006053.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 3 1 393.575 3.568 20 0 GHADMP C[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006066 /nfs/dbraw/zinc/00/60/66/884006066.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 3 1 393.575 3.568 20 0 GHADMP C[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006078 /nfs/dbraw/zinc/00/60/78/884006078.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 3 1 393.575 3.568 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455859108 884022364 /nfs/dbraw/zinc/02/23/64/884022364.db2.gz POBFUPPJGNGFRA-NLSFWIRASA-N 2 1 392.547 3.878 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000465448280 884051560 /nfs/dbraw/zinc/05/15/60/884051560.db2.gz SEFOIGDKCAWTAB-FQEVSTJZSA-N 2 1 378.605 3.691 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233493 884184529 /nfs/dbraw/zinc/18/45/29/884184529.db2.gz PWVPDALHJXLQHF-BHDDXSALSA-N 2 1 386.580 3.708 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000666219995 884210469 /nfs/dbraw/zinc/21/04/69/884210469.db2.gz KJZOAQVCXSILHC-DKZVUGQWSA-N 2 1 395.503 3.721 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000666219995 884210477 /nfs/dbraw/zinc/21/04/77/884210477.db2.gz KJZOAQVCXSILHC-DKZVUGQWSA-N 2 1 395.503 3.721 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)ccc21 ZINC000455860648 884230899 /nfs/dbraw/zinc/23/08/99/884230899.db2.gz QJINBGBGWGPFGO-JTHBVZDNSA-N 2 1 392.547 3.626 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)ccc21 ZINC000455860648 884230914 /nfs/dbraw/zinc/23/09/14/884230914.db2.gz QJINBGBGWGPFGO-JTHBVZDNSA-N 2 1 392.547 3.626 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130425159 884645083 /nfs/dbraw/zinc/64/50/83/884645083.db2.gz ZKTNHSWCDALNHA-AWEZNQCLSA-N 2 1 378.904 3.511 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130425159 884645096 /nfs/dbraw/zinc/64/50/96/884645096.db2.gz ZKTNHSWCDALNHA-AWEZNQCLSA-N 2 1 378.904 3.511 20 0 GHADMP CCOc1cccc(Cl)c1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000653594470 884661902 /nfs/dbraw/zinc/66/19/02/884661902.db2.gz UZFVSLACZCXXFQ-UHFFFAOYSA-N 2 1 379.976 3.729 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000495234767 884864508 /nfs/dbraw/zinc/86/45/08/884864508.db2.gz WLZXXARTWWNPEV-QHCPKHFHSA-N 2 1 394.563 3.545 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000130611787 884871704 /nfs/dbraw/zinc/87/17/04/884871704.db2.gz XQFHBJNZOLLVSK-QFIPXVFZSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000498608732 885043872 /nfs/dbraw/zinc/04/38/72/885043872.db2.gz ZNJBADZVNGOCIX-XXBNENTESA-N 2 1 398.595 3.746 20 0 GHADMP Cc1cc(F)c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1F ZINC001211915399 885067764 /nfs/dbraw/zinc/06/77/64/885067764.db2.gz IWKVRCJFZDASOB-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1F ZINC001211915399 885067772 /nfs/dbraw/zinc/06/77/72/885067772.db2.gz IWKVRCJFZDASOB-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1csc2ccccc12)c1ccccc1 ZINC000460384528 885199950 /nfs/dbraw/zinc/19/99/50/885199950.db2.gz JIWYHYABGMYDKE-FQEVSTJZSA-N 2 1 381.545 3.752 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1csc2ccccc12)c1ccccc1 ZINC000460384528 885199957 /nfs/dbraw/zinc/19/99/57/885199957.db2.gz JIWYHYABGMYDKE-FQEVSTJZSA-N 2 1 381.545 3.752 20 0 GHADMP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460388183 885236759 /nfs/dbraw/zinc/23/67/59/885236759.db2.gz QRRHZCKMJSRXRW-XLIONFOSSA-N 2 1 379.504 3.845 20 0 GHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460388183 885236774 /nfs/dbraw/zinc/23/67/74/885236774.db2.gz QRRHZCKMJSRXRW-XLIONFOSSA-N 2 1 379.504 3.845 20 0 GHADMP Cc1c(F)ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1F ZINC001211916210 885253218 /nfs/dbraw/zinc/25/32/18/885253218.db2.gz PEWOCLXPAOPGNG-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1c(F)ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1F ZINC001211916210 885253233 /nfs/dbraw/zinc/25/32/33/885253233.db2.gz PEWOCLXPAOPGNG-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP C[N@@H+](CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000061500717 885268993 /nfs/dbraw/zinc/26/89/93/885268993.db2.gz VQEIXOUWLKBTTE-UHFFFAOYSA-N 2 1 394.563 3.604 20 0 GHADMP c1cc2c(cccc2-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)o1 ZINC001211916386 885347676 /nfs/dbraw/zinc/34/76/76/885347676.db2.gz QKYPJMSYAKCKEE-LJQANCHMSA-N 2 1 386.455 3.672 20 0 GHADMP c1cc2c(cccc2-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)o1 ZINC001211916386 885347696 /nfs/dbraw/zinc/34/76/96/885347696.db2.gz QKYPJMSYAKCKEE-LJQANCHMSA-N 2 1 386.455 3.672 20 0 GHADMP CCOC(=O)C1=C(Nc2ccc([C@H](C)[NH3+])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522211 885378005 /nfs/dbraw/zinc/37/80/05/885378005.db2.gz CDMBHEKSZYPSBY-KRWDZBQOSA-N 2 1 379.504 3.841 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000130968576 885385565 /nfs/dbraw/zinc/38/55/65/885385565.db2.gz FYPWFFQRYNSZOA-QHCPKHFHSA-N 2 1 390.531 3.614 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000130968576 885385587 /nfs/dbraw/zinc/38/55/87/885385587.db2.gz FYPWFFQRYNSZOA-QHCPKHFHSA-N 2 1 390.531 3.614 20 0 GHADMP COCCC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655767542 885457396 /nfs/dbraw/zinc/45/73/96/885457396.db2.gz VOQDBSYZYAGNQL-NQIIRXRSSA-N 2 1 380.960 3.693 20 0 GHADMP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498719170 885476388 /nfs/dbraw/zinc/47/63/88/885476388.db2.gz PNVLFQICTWDGME-MDNUFGMLSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000550621468 885516100 /nfs/dbraw/zinc/51/61/00/885516100.db2.gz MFCFYJYUEIUZMY-PFATUAPWSA-N 2 1 392.591 3.622 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000550621468 885516112 /nfs/dbraw/zinc/51/61/12/885516112.db2.gz MFCFYJYUEIUZMY-PFATUAPWSA-N 2 1 392.591 3.622 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000072072538 885523204 /nfs/dbraw/zinc/52/32/04/885523204.db2.gz LTQQMACCVABMPQ-VXKWHMMOSA-N 2 1 395.547 3.753 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000108063428 885572204 /nfs/dbraw/zinc/57/22/04/885572204.db2.gz KWRYFZBZNFVXOH-FQEVSTJZSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000108063428 885572218 /nfs/dbraw/zinc/57/22/18/885572218.db2.gz KWRYFZBZNFVXOH-FQEVSTJZSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000108063428 885572227 /nfs/dbraw/zinc/57/22/27/885572227.db2.gz KWRYFZBZNFVXOH-FQEVSTJZSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000108063428 885572235 /nfs/dbraw/zinc/57/22/35/885572235.db2.gz KWRYFZBZNFVXOH-FQEVSTJZSA-N 2 1 379.548 3.667 20 0 GHADMP CC(C)(CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000303454746 885578990 /nfs/dbraw/zinc/57/89/90/885578990.db2.gz JORUIKAINYLIHG-FRIKZZABSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000495379495 885593698 /nfs/dbraw/zinc/59/36/98/885593698.db2.gz KSESMYRVFMKCEU-IPJJNNNSSA-N 2 1 375.520 3.829 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000303677529 885674266 /nfs/dbraw/zinc/67/42/66/885674266.db2.gz QTQTYVVYXFGTIP-SIKLNZKXSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000532548683 885982651 /nfs/dbraw/zinc/98/26/51/885982651.db2.gz ZNKHRESBVQFUNY-SELNLUPBSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000532548683 885982660 /nfs/dbraw/zinc/98/26/60/885982660.db2.gz ZNKHRESBVQFUNY-SELNLUPBSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)CC1 ZINC000808172843 886108120 /nfs/dbraw/zinc/10/81/20/886108120.db2.gz XMZZPIFWGCYSCN-KNQAVFIVSA-N 2 1 398.595 3.925 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)CC1 ZINC000808172843 886108126 /nfs/dbraw/zinc/10/81/26/886108126.db2.gz XMZZPIFWGCYSCN-KNQAVFIVSA-N 2 1 398.595 3.925 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCc3ccccc3C2)CC1 ZINC000498924691 886115811 /nfs/dbraw/zinc/11/58/11/886115811.db2.gz MUEWNRWWSYYTKA-UHFFFAOYSA-N 2 1 391.559 3.524 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862229995 886227757 /nfs/dbraw/zinc/22/77/57/886227757.db2.gz VNHBCPGQAFXJTR-KRWDZBQOSA-N 2 1 389.531 3.683 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166223933 886233469 /nfs/dbraw/zinc/23/34/69/886233469.db2.gz XTSKVZKLAVZZRS-QZTJIDSGSA-N 2 1 383.492 3.608 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166223933 886233489 /nfs/dbraw/zinc/23/34/89/886233489.db2.gz XTSKVZKLAVZZRS-QZTJIDSGSA-N 2 1 383.492 3.608 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000808388827 886319685 /nfs/dbraw/zinc/31/96/85/886319685.db2.gz AZPIABPBCMPRIM-KBXCAEBGSA-N 2 1 399.348 3.752 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001168491486 886371951 /nfs/dbraw/zinc/37/19/51/886371951.db2.gz ZJMWZEZESPDJDT-FQEVSTJZSA-N 2 1 397.538 3.766 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccccn1 ZINC000556869479 886420003 /nfs/dbraw/zinc/42/00/03/886420003.db2.gz IHSKGKHVOLBLEL-BHDDXSALSA-N 2 1 392.547 3.691 20 0 GHADMP COc1cc2c(cc1C[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCO2 ZINC000556882488 886441854 /nfs/dbraw/zinc/44/18/54/886441854.db2.gz IVLDWOUMBRSSRN-UHFFFAOYSA-N 2 1 394.515 3.912 20 0 GHADMP CN1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556886796 886459497 /nfs/dbraw/zinc/45/94/97/886459497.db2.gz WCGSHFPOZRDGGS-JPKZGUTDSA-N 2 1 379.951 3.934 20 0 GHADMP CC[NH+](CC)CCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536511789 886606683 /nfs/dbraw/zinc/60/66/83/886606683.db2.gz VONUVIFRPXWEIR-APWZRJJASA-N 2 1 398.954 3.503 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459271699 886948950 /nfs/dbraw/zinc/94/89/50/886948950.db2.gz WHXPIHVGEAYYKI-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000459271699 886948960 /nfs/dbraw/zinc/94/89/60/886948960.db2.gz WHXPIHVGEAYYKI-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000459271699 886948978 /nfs/dbraw/zinc/94/89/78/886948978.db2.gz WHXPIHVGEAYYKI-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP COc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000119617742 887368263 /nfs/dbraw/zinc/36/82/63/887368263.db2.gz DYAYALGMZNPSQI-UHFFFAOYSA-N 2 1 385.527 3.997 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4C)ccc3OC)C2)CC1 ZINC000459345691 887524722 /nfs/dbraw/zinc/52/47/22/887524722.db2.gz WEGBTPULZSWWDV-HSZRJFAPSA-N 2 1 393.575 3.882 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000809606452 887577131 /nfs/dbraw/zinc/57/71/31/887577131.db2.gz SHSTXBXRCPNDFG-HZPDHXFCSA-N 2 1 393.373 3.945 20 0 GHADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000763054283 887602003 /nfs/dbraw/zinc/60/20/03/887602003.db2.gz WKZVKIFWEVBSLX-FUHWJXTLSA-N 2 1 397.485 3.689 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000809622857 887620944 /nfs/dbraw/zinc/62/09/44/887620944.db2.gz MZPLBMQOULELLK-MMIPBJDJSA-N 2 1 379.570 3.776 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000809622857 887620956 /nfs/dbraw/zinc/62/09/56/887620956.db2.gz MZPLBMQOULELLK-MMIPBJDJSA-N 2 1 379.570 3.776 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000054510234 887991247 /nfs/dbraw/zinc/99/12/47/887991247.db2.gz NTLXKWUMPRGJBG-XLIONFOSSA-N 2 1 392.975 3.508 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)[nH+]c1 ZINC000194074479 888555371 /nfs/dbraw/zinc/55/53/71/888555371.db2.gz VTDNQVKYHUPVJL-UHFFFAOYSA-N 2 1 392.547 3.519 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000810586984 888664329 /nfs/dbraw/zinc/66/43/29/888664329.db2.gz KKXCMHHROIUUFC-SIKLNZKXSA-N 2 1 376.516 3.654 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000810586984 888664340 /nfs/dbraw/zinc/66/43/40/888664340.db2.gz KKXCMHHROIUUFC-SIKLNZKXSA-N 2 1 376.516 3.654 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000810586984 888664352 /nfs/dbraw/zinc/66/43/52/888664352.db2.gz KKXCMHHROIUUFC-SIKLNZKXSA-N 2 1 376.516 3.654 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000644523949 913337251 /nfs/dbraw/zinc/33/72/51/913337251.db2.gz CDRLMVXFFIWXMN-XJTUCQONSA-N 2 1 394.559 3.678 20 0 GHADMP CCC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000124987836 889839095 /nfs/dbraw/zinc/83/90/95/889839095.db2.gz WWCYNERWSRUTFL-HSZRJFAPSA-N 2 1 395.547 3.978 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454918386 889988887 /nfs/dbraw/zinc/98/88/87/889988887.db2.gz JPGIQUFPGJXUMU-JOCHJYFZSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)oc1-c1ccc(Cl)cc1 ZINC000125691068 890080321 /nfs/dbraw/zinc/08/03/21/890080321.db2.gz PUXFREVBXZGHMX-UHFFFAOYSA-N 2 1 389.927 3.848 20 0 GHADMP CCC[N@H+](Cc1cccc(OCC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126511685 890571554 /nfs/dbraw/zinc/57/15/54/890571554.db2.gz ZBQMCIZVSLINIB-UHFFFAOYSA-N 2 1 383.540 3.768 20 0 GHADMP CCC[N@@H+](Cc1cccc(OCC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126511685 890571558 /nfs/dbraw/zinc/57/15/58/890571558.db2.gz ZBQMCIZVSLINIB-UHFFFAOYSA-N 2 1 383.540 3.768 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870912419 890574972 /nfs/dbraw/zinc/57/49/72/890574972.db2.gz HNFKEIVGQZVCSM-MWLKLMTCSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870912419 890574978 /nfs/dbraw/zinc/57/49/78/890574978.db2.gz HNFKEIVGQZVCSM-MWLKLMTCSA-N 2 1 381.923 3.637 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812855499 891049643 /nfs/dbraw/zinc/04/96/43/891049643.db2.gz FSCOZPUVUPQROH-OAQYLSRUSA-N 2 1 379.520 3.558 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246362830 891071303 /nfs/dbraw/zinc/07/13/03/891071303.db2.gz PVVVWLCDFLJLEG-FXAWDEMLSA-N 2 1 392.613 3.647 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@H](C)C1 ZINC000127484304 891089168 /nfs/dbraw/zinc/08/91/68/891089168.db2.gz MKJUHQSXQLWCII-OXQOHEQNSA-N 2 1 394.401 3.733 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872034317 891127449 /nfs/dbraw/zinc/12/74/49/891127449.db2.gz GOLMDZIKQRSUEQ-SFHVURJKSA-N 2 1 375.582 3.534 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000533702421 891218209 /nfs/dbraw/zinc/21/82/09/891218209.db2.gz VGXRJEWTSYLVAA-HXUWFJFHSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000247094397 891344082 /nfs/dbraw/zinc/34/40/82/891344082.db2.gz RTBWQEWWAKJIOB-ZRCGQRJVSA-N 2 1 398.620 3.855 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000247094397 891344097 /nfs/dbraw/zinc/34/40/97/891344097.db2.gz RTBWQEWWAKJIOB-ZRCGQRJVSA-N 2 1 398.620 3.855 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[C@@H](C)C1 ZINC000248557521 891427455 /nfs/dbraw/zinc/42/74/55/891427455.db2.gz LMBMXBIQZNAZKX-HNAYVOBHSA-N 2 1 397.485 3.630 20 0 GHADMP C[N@@H+](CCCCCC[NH3+])Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000873231302 891534318 /nfs/dbraw/zinc/53/43/18/891534318.db2.gz DNYGBAIUPFCTBO-UHFFFAOYSA-N 2 1 388.581 3.598 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1F ZINC000128268243 891539879 /nfs/dbraw/zinc/53/98/79/891539879.db2.gz ZPSKGQJRWBKEDL-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)c2)cc1 ZINC000237466015 892074311 /nfs/dbraw/zinc/07/43/11/892074311.db2.gz VBTVNUBSHCLQHG-KRWDZBQOSA-N 2 1 392.503 3.878 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)CC[N@H+]1C ZINC000162155232 892075764 /nfs/dbraw/zinc/07/57/64/892075764.db2.gz QXHSEAVUDQRRQQ-ZBFHGGJFSA-N 2 1 387.387 3.633 20 0 GHADMP [NH3+]C1(c2noc([C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)CCCC1 ZINC000261886866 892154171 /nfs/dbraw/zinc/15/41/71/892154171.db2.gz WYSJWNBQHAKWCO-KRWDZBQOSA-N 2 1 380.414 3.504 20 0 GHADMP C[N@H+]1CC[C@@H](c2ccc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)cc2)C1 ZINC001170719637 892178440 /nfs/dbraw/zinc/17/84/40/892178440.db2.gz WHLQAMVGHQXREA-QLBJFCOMSA-N 2 1 396.623 3.856 20 0 GHADMP C[N@@H+]1CC[C@@H](c2ccc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)cc2)C1 ZINC001170719637 892178449 /nfs/dbraw/zinc/17/84/49/892178449.db2.gz WHLQAMVGHQXREA-QLBJFCOMSA-N 2 1 396.623 3.856 20 0 GHADMP C[N@H+]1CC[C@@H](c2ccc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)cc2)C1 ZINC001170719637 892178460 /nfs/dbraw/zinc/17/84/60/892178460.db2.gz WHLQAMVGHQXREA-QLBJFCOMSA-N 2 1 396.623 3.856 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000666838958 892470842 /nfs/dbraw/zinc/47/08/42/892470842.db2.gz KMYPESUTOGWGIY-QFIPXVFZSA-N 2 1 394.563 3.571 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696801 892658516 /nfs/dbraw/zinc/65/85/16/892658516.db2.gz KSKIAHZQUQYMIG-YSIASYRMSA-N 2 1 384.955 3.814 20 0 GHADMP C[C@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709204 892800726 /nfs/dbraw/zinc/80/07/26/892800726.db2.gz GOQVIHADLBXPGO-REWPJTCUSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709204 892800742 /nfs/dbraw/zinc/80/07/42/892800742.db2.gz GOQVIHADLBXPGO-REWPJTCUSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000508708981 892803535 /nfs/dbraw/zinc/80/35/35/892803535.db2.gz FNOOQEJRYUFPGF-IRFCIJBXSA-N 2 1 383.605 3.995 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)CC1 ZINC000129002324 892841784 /nfs/dbraw/zinc/84/17/84/892841784.db2.gz JYSLNMJPRMXDNC-YMISUZCDSA-N 2 1 375.601 3.800 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@@H+](C)C1 ZINC000645154168 913712591 /nfs/dbraw/zinc/71/25/91/913712591.db2.gz VFXAKKXPCNFYTR-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](C)C1 ZINC000645154168 913712599 /nfs/dbraw/zinc/71/25/99/913712599.db2.gz VFXAKKXPCNFYTR-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](C)C1 ZINC000645154168 913712612 /nfs/dbraw/zinc/71/26/12/913712612.db2.gz VFXAKKXPCNFYTR-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674197 893048572 /nfs/dbraw/zinc/04/85/72/893048572.db2.gz OBUSUCRNCFERHQ-RBUKOAKNSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674197 893048592 /nfs/dbraw/zinc/04/85/92/893048592.db2.gz OBUSUCRNCFERHQ-RBUKOAKNSA-N 2 1 376.545 3.551 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000129273255 893213740 /nfs/dbraw/zinc/21/37/40/893213740.db2.gz FATNQZLGEIPXDF-CZTZKLFOSA-N 2 1 398.595 3.774 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533891573 893416506 /nfs/dbraw/zinc/41/65/06/893416506.db2.gz DAYCCDJPKJMWDF-PKTZIBPZSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000459395562 893453078 /nfs/dbraw/zinc/45/30/78/893453078.db2.gz BGZSMLXRSXQBAS-FYYLOGMGSA-N 2 1 393.575 3.566 20 0 GHADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143639 893516077 /nfs/dbraw/zinc/51/60/77/893516077.db2.gz MWFKHCXNKFEYAP-YKSBVNFPSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143639 893516097 /nfs/dbraw/zinc/51/60/97/893516097.db2.gz MWFKHCXNKFEYAP-YKSBVNFPSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143639 893516112 /nfs/dbraw/zinc/51/61/12/893516112.db2.gz MWFKHCXNKFEYAP-YKSBVNFPSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143639 893516131 /nfs/dbraw/zinc/51/61/31/893516131.db2.gz MWFKHCXNKFEYAP-YKSBVNFPSA-N 2 1 396.531 3.636 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877191546 893528750 /nfs/dbraw/zinc/52/87/50/893528750.db2.gz ZMSHQBHJESYSQA-MRXNPFEDSA-N 2 1 387.936 3.806 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000536696854 893565536 /nfs/dbraw/zinc/56/55/36/893565536.db2.gz PJXSAUXKCSZJBC-IBGZPJMESA-N 2 1 376.932 3.663 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)CC1 ZINC000536708158 893612074 /nfs/dbraw/zinc/61/20/74/893612074.db2.gz UUQVIKHSMFWGCY-XMMPIXPASA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccccc1O[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000129587656 893681252 /nfs/dbraw/zinc/68/12/52/893681252.db2.gz QHAIPHWHSCPPBX-GOSISDBHSA-N 2 1 386.511 3.898 20 0 GHADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551553 893683064 /nfs/dbraw/zinc/68/30/64/893683064.db2.gz FUSDWSDFWJMRBK-MSOLQXFVSA-N 2 1 383.363 3.699 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000556092478 893705143 /nfs/dbraw/zinc/70/51/43/893705143.db2.gz WSLYUOQQNIYIEE-FKBYEOEOSA-N 2 1 384.568 3.746 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000556092478 893705152 /nfs/dbraw/zinc/70/51/52/893705152.db2.gz WSLYUOQQNIYIEE-FKBYEOEOSA-N 2 1 384.568 3.746 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CCC(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC001135000526 893780887 /nfs/dbraw/zinc/78/08/87/893780887.db2.gz GBCIOBSPEHEJNM-SFHVURJKSA-N 2 1 399.501 3.936 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1CCC(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC001135000526 893780894 /nfs/dbraw/zinc/78/08/94/893780894.db2.gz GBCIOBSPEHEJNM-SFHVURJKSA-N 2 1 399.501 3.936 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1csc(Br)c1 ZINC000563567006 893911711 /nfs/dbraw/zinc/91/17/11/893911711.db2.gz XEKKRBNZADNMKW-UHFFFAOYSA-N 2 1 384.343 3.526 20 0 GHADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2)C[C@H](C)O1 ZINC000563634139 893997313 /nfs/dbraw/zinc/99/73/13/893997313.db2.gz CSHSCVYFIHKIIR-OALUTQOASA-N 2 1 395.547 3.652 20 0 GHADMP C[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459693057 894081177 /nfs/dbraw/zinc/08/11/77/894081177.db2.gz KJVBMCFBAQVYCC-QSRMWPQZSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459693057 894081190 /nfs/dbraw/zinc/08/11/90/894081190.db2.gz KJVBMCFBAQVYCC-QSRMWPQZSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459693057 894081211 /nfs/dbraw/zinc/08/12/11/894081211.db2.gz KJVBMCFBAQVYCC-QSRMWPQZSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3O)o2)CC1 ZINC000878196392 894084216 /nfs/dbraw/zinc/08/42/16/894084216.db2.gz ZTOVVODFTFLAKP-KRWDZBQOSA-N 2 1 384.524 3.919 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3O)o2)CC1 ZINC000878196392 894084240 /nfs/dbraw/zinc/08/42/40/894084240.db2.gz ZTOVVODFTFLAKP-KRWDZBQOSA-N 2 1 384.524 3.919 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cs1)c1ccc(F)cc1 ZINC000459723882 894109445 /nfs/dbraw/zinc/10/94/45/894109445.db2.gz DFHFOVSONVYMEC-MRXNPFEDSA-N 2 1 390.528 3.788 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cs1)c1ccc(F)cc1 ZINC000459723882 894109450 /nfs/dbraw/zinc/10/94/50/894109450.db2.gz DFHFOVSONVYMEC-MRXNPFEDSA-N 2 1 390.528 3.788 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459727926 894115591 /nfs/dbraw/zinc/11/55/91/894115591.db2.gz HSXHGTBLMDUDRW-MRXNPFEDSA-N 2 1 399.373 3.686 20 0 GHADMP C([C@@H](C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000878291165 894169260 /nfs/dbraw/zinc/16/92/60/894169260.db2.gz HGNKYRXJARVHSP-GOHTZMOBSA-N 2 1 390.612 3.510 20 0 GHADMP C([C@H](C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000878291165 894169269 /nfs/dbraw/zinc/16/92/69/894169269.db2.gz HGNKYRXJARVHSP-GOHTZMOBSA-N 2 1 390.612 3.510 20 0 GHADMP C([C@H](C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000878291165 894169279 /nfs/dbraw/zinc/16/92/79/894169279.db2.gz HGNKYRXJARVHSP-GOHTZMOBSA-N 2 1 390.612 3.510 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000536999632 894204172 /nfs/dbraw/zinc/20/41/72/894204172.db2.gz VMDVYWVQGHULFK-FQEVSTJZSA-N 2 1 394.401 3.763 20 0 GHADMP CN(C(=O)c1oc2ccccc2c1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563803087 894207791 /nfs/dbraw/zinc/20/77/91/894207791.db2.gz PGCDWZHYCPTWRP-LJQANCHMSA-N 2 1 391.515 3.841 20 0 GHADMP CC[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CCOCC1 ZINC000537096115 894305970 /nfs/dbraw/zinc/30/59/70/894305970.db2.gz HGXWVBPGLWDTMC-JXALWOEJSA-N 2 1 388.596 3.991 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)C[N@H+]2C1 ZINC001135296053 894331693 /nfs/dbraw/zinc/33/16/93/894331693.db2.gz LFNCNQDLXYFASS-UAFMIMERSA-N 2 1 389.609 3.758 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C2CC2)c1 ZINC000563972675 894387035 /nfs/dbraw/zinc/38/70/35/894387035.db2.gz QNZLMFMSGXXHCT-ILBGXUMGSA-N 2 1 394.559 3.763 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)ccc21 ZINC000455850933 894678934 /nfs/dbraw/zinc/67/89/34/894678934.db2.gz KWKJWYMPILQSSG-BDTNDASRSA-N 2 1 378.520 3.802 20 0 GHADMP C[N@H+]1CCN(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCC1(C)C ZINC000879033888 894797483 /nfs/dbraw/zinc/79/74/83/894797483.db2.gz UXEQMMOJDAZZFZ-UHFFFAOYSA-N 2 1 379.508 3.550 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564319144 894860411 /nfs/dbraw/zinc/86/04/11/894860411.db2.gz CZEFGHCGZPPCCB-VNQPRFMTSA-N 2 1 398.391 3.991 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564319144 894860418 /nfs/dbraw/zinc/86/04/18/894860418.db2.gz CZEFGHCGZPPCCB-VNQPRFMTSA-N 2 1 398.391 3.991 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000564319140 894860456 /nfs/dbraw/zinc/86/04/56/894860456.db2.gz CZEFGHCGZPPCCB-BMFZPTHFSA-N 2 1 398.391 3.991 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000564319140 894860460 /nfs/dbraw/zinc/86/04/60/894860460.db2.gz CZEFGHCGZPPCCB-BMFZPTHFSA-N 2 1 398.391 3.991 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)o1 ZINC000564771079 895236965 /nfs/dbraw/zinc/23/69/65/895236965.db2.gz QXRSFRONDHYTFN-UHFFFAOYSA-N 2 1 382.504 3.863 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC001135851497 895412567 /nfs/dbraw/zinc/41/25/67/895412567.db2.gz KGIHBHJDGOZDHC-DHIUTWEWSA-N 2 1 385.596 3.853 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000565156263 895429487 /nfs/dbraw/zinc/42/94/87/895429487.db2.gz WQWIOECVLWYXRM-DPDIENECSA-N 2 1 389.971 3.507 20 0 GHADMP Cc1c(Cl)c(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nn1C ZINC000817405230 895583483 /nfs/dbraw/zinc/58/34/83/895583483.db2.gz BSPSGIJSBUIUQY-UHFFFAOYSA-N 2 1 375.948 3.772 20 0 GHADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000880259824 895598236 /nfs/dbraw/zinc/59/82/36/895598236.db2.gz JIJZBNXGCHZLHL-HNNXBMFYSA-N 2 1 392.425 3.640 20 0 GHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000565709210 895826357 /nfs/dbraw/zinc/82/63/57/895826357.db2.gz SANNEQVDQQJCIL-MONBJTKQSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000565709210 895826364 /nfs/dbraw/zinc/82/63/64/895826364.db2.gz SANNEQVDQQJCIL-MONBJTKQSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000566105888 896112409 /nfs/dbraw/zinc/11/24/09/896112409.db2.gz AGJUXYYKPNDZPP-HZPDHXFCSA-N 2 1 389.367 3.977 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000566225976 896188647 /nfs/dbraw/zinc/18/86/47/896188647.db2.gz HOASESPPGLXRDR-YLJYHZDGSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000566225976 896188651 /nfs/dbraw/zinc/18/86/51/896188651.db2.gz HOASESPPGLXRDR-YLJYHZDGSA-N 2 1 384.520 3.842 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000566229506 896190651 /nfs/dbraw/zinc/19/06/51/896190651.db2.gz DHGVBRXGUVQWOO-ZIAGYGMSSA-N 2 1 378.339 3.614 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000566229506 896190658 /nfs/dbraw/zinc/19/06/58/896190658.db2.gz DHGVBRXGUVQWOO-ZIAGYGMSSA-N 2 1 378.339 3.614 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000566229946 896192493 /nfs/dbraw/zinc/19/24/93/896192493.db2.gz VQALEFIAVWHTHN-CTNGQTDRSA-N 2 1 387.531 3.756 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000566286922 896217556 /nfs/dbraw/zinc/21/75/56/896217556.db2.gz UCEUSLCVSBYYPN-UNMCSNQZSA-N 2 1 397.607 3.955 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@H]3CC4CCC3CC4)CC2)CC1 ZINC000566463519 896326292 /nfs/dbraw/zinc/32/62/92/896326292.db2.gz GAEIQFXQIXHIQR-OGALPTFVSA-N 2 1 375.601 3.514 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3ccc(F)cc3Cl)CC2)oc1C ZINC000819054087 896343905 /nfs/dbraw/zinc/34/39/05/896343905.db2.gz VGEOUMZCGANTCV-LJQANCHMSA-N 2 1 395.906 3.619 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000819015807 896349504 /nfs/dbraw/zinc/34/95/04/896349504.db2.gz PXUXYRHDFCDSPK-LAUBAEHRSA-N 2 1 376.903 3.667 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000566530438 896358269 /nfs/dbraw/zinc/35/82/69/896358269.db2.gz SCLGZRVNRMAXFR-OBGWFSINSA-N 2 1 381.486 3.822 20 0 GHADMP C[NH+](C)CCOc1ccccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566677993 896484220 /nfs/dbraw/zinc/48/42/20/896484220.db2.gz KVEZSZSZSAUYHS-HSZRJFAPSA-N 2 1 393.575 3.914 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000566677993 896484226 /nfs/dbraw/zinc/48/42/26/896484226.db2.gz KVEZSZSZSAUYHS-HSZRJFAPSA-N 2 1 393.575 3.914 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819282961 896525173 /nfs/dbraw/zinc/52/51/73/896525173.db2.gz DWFQSKHDYZFWHN-UPVQGACJSA-N 2 1 382.548 3.545 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778554275 896573436 /nfs/dbraw/zinc/57/34/36/896573436.db2.gz VLMSYRHYASZKLS-MDKPJZGXSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778554275 896573446 /nfs/dbraw/zinc/57/34/46/896573446.db2.gz VLMSYRHYASZKLS-MDKPJZGXSA-N 2 1 399.485 3.570 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000566800592 896581773 /nfs/dbraw/zinc/58/17/73/896581773.db2.gz HSSIXHNDJHAWCG-LJQANCHMSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000566800592 896581783 /nfs/dbraw/zinc/58/17/83/896581783.db2.gz HSSIXHNDJHAWCG-LJQANCHMSA-N 2 1 396.531 3.723 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819366472 896643388 /nfs/dbraw/zinc/64/33/88/896643388.db2.gz QNNGPJRIOFSVMC-SUMWQHHRSA-N 2 1 389.765 3.632 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(C(C)(C)C)cs3)CC2)CC1 ZINC000566864034 896644880 /nfs/dbraw/zinc/64/48/80/896644880.db2.gz PRWYTAPXCBYHPS-UHFFFAOYSA-N 2 1 378.586 3.575 20 0 GHADMP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000567066243 896843923 /nfs/dbraw/zinc/84/39/23/896843923.db2.gz FJXLHQIKUULRNF-FYYLOGMGSA-N 2 1 396.531 3.596 20 0 GHADMP CCOC(=O)COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000567066243 896843936 /nfs/dbraw/zinc/84/39/36/896843936.db2.gz FJXLHQIKUULRNF-FYYLOGMGSA-N 2 1 396.531 3.596 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263052 896987673 /nfs/dbraw/zinc/98/76/73/896987673.db2.gz BXUCHBWRLWFPQH-FYYLOGMGSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263052 896987683 /nfs/dbraw/zinc/98/76/83/896987683.db2.gz BXUCHBWRLWFPQH-FYYLOGMGSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263052 896987690 /nfs/dbraw/zinc/98/76/90/896987690.db2.gz BXUCHBWRLWFPQH-FYYLOGMGSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809135 897537709 /nfs/dbraw/zinc/53/77/09/897537709.db2.gz UVBJMBFUMIXLOM-UXHICEINSA-N 3 1 381.564 3.820 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809135 897537718 /nfs/dbraw/zinc/53/77/18/897537718.db2.gz UVBJMBFUMIXLOM-UXHICEINSA-N 3 1 381.564 3.820 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1OC ZINC000568959813 898243697 /nfs/dbraw/zinc/24/36/97/898243697.db2.gz LOCLSHOQZLAHGS-NHCUHLMSSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1OC ZINC000568959813 898243714 /nfs/dbraw/zinc/24/37/14/898243714.db2.gz LOCLSHOQZLAHGS-NHCUHLMSSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1OC ZINC000568959813 898243729 /nfs/dbraw/zinc/24/37/29/898243729.db2.gz LOCLSHOQZLAHGS-NHCUHLMSSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1OC ZINC000568959813 898243746 /nfs/dbraw/zinc/24/37/46/898243746.db2.gz LOCLSHOQZLAHGS-NHCUHLMSSA-N 2 1 396.531 3.666 20 0 GHADMP CCCC1(C[NH2+]CCCn2cc[nH+]c2C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822451832 898381216 /nfs/dbraw/zinc/38/12/16/898381216.db2.gz PZDKSNDNKNXDGK-UHFFFAOYSA-N 2 1 378.561 3.989 20 0 GHADMP Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000569201584 898421486 /nfs/dbraw/zinc/42/14/86/898421486.db2.gz VOQVVHJVFSVOLT-MJGOQNOKSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000569201584 898421492 /nfs/dbraw/zinc/42/14/92/898421492.db2.gz VOQVVHJVFSVOLT-MJGOQNOKSA-N 2 1 377.492 3.675 20 0 GHADMP [NH3+]Cc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)c(F)c1 ZINC000822900963 898708360 /nfs/dbraw/zinc/70/83/60/898708360.db2.gz NBPZKUYFPLCIKI-MRXNPFEDSA-N 2 1 384.430 3.853 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490129 899060501 /nfs/dbraw/zinc/06/05/01/899060501.db2.gz VGUADEAEXYLYNX-BNDYYXHWSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490129 899060514 /nfs/dbraw/zinc/06/05/14/899060514.db2.gz VGUADEAEXYLYNX-BNDYYXHWSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490129 899060526 /nfs/dbraw/zinc/06/05/26/899060526.db2.gz VGUADEAEXYLYNX-BNDYYXHWSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490129 899060535 /nfs/dbraw/zinc/06/05/35/899060535.db2.gz VGUADEAEXYLYNX-BNDYYXHWSA-N 2 1 391.600 3.971 20 0 GHADMP FC(F)(F)Cn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000570041828 899086898 /nfs/dbraw/zinc/08/68/98/899086898.db2.gz BLTFDDFNXDTSRV-ZCNNSNEGSA-N 2 1 392.469 3.978 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000570041828 899086912 /nfs/dbraw/zinc/08/69/12/899086912.db2.gz BLTFDDFNXDTSRV-ZCNNSNEGSA-N 2 1 392.469 3.978 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000331711117 899096977 /nfs/dbraw/zinc/09/69/77/899096977.db2.gz KTRFCJIYFJXUCE-RHSMWYFYSA-N 2 1 380.330 3.663 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCCN1Cc1ccccc1 ZINC001136832227 899441590 /nfs/dbraw/zinc/44/15/90/899441590.db2.gz FAZSPDRZQLEAMJ-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001136832227 899441598 /nfs/dbraw/zinc/44/15/98/899441598.db2.gz FAZSPDRZQLEAMJ-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001136832227 899441601 /nfs/dbraw/zinc/44/16/01/899441601.db2.gz FAZSPDRZQLEAMJ-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001136832227 899441605 /nfs/dbraw/zinc/44/16/05/899441605.db2.gz FAZSPDRZQLEAMJ-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001136832227 899441614 /nfs/dbraw/zinc/44/16/14/899441614.db2.gz FAZSPDRZQLEAMJ-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H]1c1ccccc1 ZINC000570717935 899530210 /nfs/dbraw/zinc/53/02/10/899530210.db2.gz IASPGVZBGXJMCK-RBZQAINGSA-N 2 1 376.544 3.939 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H]1c1ccccc1 ZINC000570717935 899530215 /nfs/dbraw/zinc/53/02/15/899530215.db2.gz IASPGVZBGXJMCK-RBZQAINGSA-N 2 1 376.544 3.939 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c[nH]c(C(=O)OCc4ccccc4)c3)C2)CC1 ZINC000824332372 899534051 /nfs/dbraw/zinc/53/40/51/899534051.db2.gz JJDKIAALSVPMLX-UHFFFAOYSA-N 2 1 381.520 3.680 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000570819386 899613270 /nfs/dbraw/zinc/61/32/70/899613270.db2.gz NDEVWYJAOLMYHW-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000570919184 899682028 /nfs/dbraw/zinc/68/20/28/899682028.db2.gz HFXIXUCLVSTICD-KKBVYLPWSA-N 2 1 375.513 3.669 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000571103810 899741407 /nfs/dbraw/zinc/74/14/07/899741407.db2.gz JEMMVKIECZFAPK-DSSYBXBYSA-N 2 1 389.971 3.712 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000571103810 899741413 /nfs/dbraw/zinc/74/14/13/899741413.db2.gz JEMMVKIECZFAPK-DSSYBXBYSA-N 2 1 389.971 3.712 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000571103810 899741420 /nfs/dbraw/zinc/74/14/20/899741420.db2.gz JEMMVKIECZFAPK-DSSYBXBYSA-N 2 1 389.971 3.712 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824949563 899902254 /nfs/dbraw/zinc/90/22/54/899902254.db2.gz YCFXHFQTXNAGFK-MSOLQXFVSA-N 2 1 390.535 3.949 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000333048968 899921002 /nfs/dbraw/zinc/92/10/02/899921002.db2.gz PXGMSOSBFIKULU-QFIPXVFZSA-N 2 1 397.563 3.764 20 0 GHADMP Fc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c21 ZINC001136981502 899948138 /nfs/dbraw/zinc/94/81/38/899948138.db2.gz QTBWBQVLPIJCAZ-UHFFFAOYSA-N 2 1 383.467 3.767 20 0 GHADMP Fc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c21 ZINC001136981502 899948144 /nfs/dbraw/zinc/94/81/44/899948144.db2.gz QTBWBQVLPIJCAZ-UHFFFAOYSA-N 2 1 383.467 3.767 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000572170081 900087132 /nfs/dbraw/zinc/08/71/32/900087132.db2.gz FBSCNSKPDCMMEJ-IBGZPJMESA-N 2 1 394.437 3.658 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000572426050 900181275 /nfs/dbraw/zinc/18/12/75/900181275.db2.gz QKHWWVDTYZEDOM-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572518606 900213855 /nfs/dbraw/zinc/21/38/55/900213855.db2.gz YIYYEEFLMIBJDI-SCNUJWJTSA-N 2 1 395.950 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572518606 900213861 /nfs/dbraw/zinc/21/38/61/900213861.db2.gz YIYYEEFLMIBJDI-SCNUJWJTSA-N 2 1 395.950 3.756 20 0 GHADMP CC(C)(C)OC(=O)C1([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CCC([NH3+])CC1 ZINC001171093833 900242313 /nfs/dbraw/zinc/24/23/13/900242313.db2.gz IVXQXGHNVYFHKE-IDYZSHNDSA-N 2 1 378.944 3.769 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000843912130 900327082 /nfs/dbraw/zinc/32/70/82/900327082.db2.gz QENZKCKVAZMRJC-CTNGQTDRSA-N 2 1 381.520 3.878 20 0 GHADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000573143386 900390641 /nfs/dbraw/zinc/39/06/41/900390641.db2.gz IBHMVWQTOKBIOQ-VWLOTQADSA-N 2 1 395.591 3.842 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329390 900703126 /nfs/dbraw/zinc/70/31/26/900703126.db2.gz NHOVUYGUKRNSKW-QRWLVFNGSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329390 900703140 /nfs/dbraw/zinc/70/31/40/900703140.db2.gz NHOVUYGUKRNSKW-QRWLVFNGSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329390 900703152 /nfs/dbraw/zinc/70/31/52/900703152.db2.gz NHOVUYGUKRNSKW-QRWLVFNGSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329390 900703157 /nfs/dbraw/zinc/70/31/57/900703157.db2.gz NHOVUYGUKRNSKW-QRWLVFNGSA-N 2 1 380.504 3.822 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000574020630 900743800 /nfs/dbraw/zinc/74/38/00/900743800.db2.gz QPYVPZFLBBUXCP-PMACEKPBSA-N 2 1 395.551 3.908 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171122936 900819321 /nfs/dbraw/zinc/81/93/21/900819321.db2.gz SEEOLUXCGLZQFO-YMPZKCBVSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171122936 900819328 /nfs/dbraw/zinc/81/93/28/900819328.db2.gz SEEOLUXCGLZQFO-YMPZKCBVSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171122936 900819335 /nfs/dbraw/zinc/81/93/35/900819335.db2.gz SEEOLUXCGLZQFO-YMPZKCBVSA-N 2 1 388.983 3.878 20 0 GHADMP COc1cccc(COc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000886164399 900853259 /nfs/dbraw/zinc/85/32/59/900853259.db2.gz JXDZWONCZABAJT-JOCHJYFZSA-N 2 1 396.531 3.617 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1F ZINC001143976154 900856724 /nfs/dbraw/zinc/85/67/24/900856724.db2.gz AYQAMNAXJPQADU-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1F ZINC001143976154 900856727 /nfs/dbraw/zinc/85/67/27/900856727.db2.gz AYQAMNAXJPQADU-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP C[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000574601641 900942465 /nfs/dbraw/zinc/94/24/65/900942465.db2.gz GBIYMWRWZBPJFW-NZQKXSOJSA-N 2 1 396.579 3.555 20 0 GHADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COC(c1ccccc1)c1ccccc1 ZINC000574686260 900971343 /nfs/dbraw/zinc/97/13/43/900971343.db2.gz LREYXSKCSBSILJ-KXTRFFEISA-N 2 1 394.559 3.760 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886532224 901135911 /nfs/dbraw/zinc/13/59/11/901135911.db2.gz GFTUJZRKODPPNN-QTJGBDASSA-N 2 1 391.559 3.574 20 0 GHADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)CC2 ZINC001171146333 901148771 /nfs/dbraw/zinc/14/87/71/901148771.db2.gz BRUPTEBKVJHQRB-ZWKOTPCHSA-N 2 1 383.363 3.941 20 0 GHADMP Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)CC2 ZINC001171146333 901148778 /nfs/dbraw/zinc/14/87/78/901148778.db2.gz BRUPTEBKVJHQRB-ZWKOTPCHSA-N 2 1 383.363 3.941 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886641130 901202114 /nfs/dbraw/zinc/20/21/14/901202114.db2.gz AEGDOWQUJLISHC-ULQDDVLXSA-N 2 1 378.442 3.582 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886641130 901202127 /nfs/dbraw/zinc/20/21/27/901202127.db2.gz AEGDOWQUJLISHC-ULQDDVLXSA-N 2 1 378.442 3.582 20 0 GHADMP Clc1ccncc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001137232042 901373508 /nfs/dbraw/zinc/37/35/08/901373508.db2.gz BILDZGNSDUEVBJ-UHFFFAOYSA-N 2 1 377.941 3.664 20 0 GHADMP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460240 902230941 /nfs/dbraw/zinc/23/09/41/902230941.db2.gz CPEQHDDLFSVWKK-RTWAWAEBSA-N 2 1 389.971 3.781 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1[nH+]cn3ccccc13)CC2 ZINC001144617741 902510829 /nfs/dbraw/zinc/51/08/29/902510829.db2.gz CZAAEEMLJBGVET-UHFFFAOYSA-N 2 1 379.508 3.570 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1[nH+]cn3ccccc13)CC2 ZINC001144617741 902510840 /nfs/dbraw/zinc/51/08/40/902510840.db2.gz CZAAEEMLJBGVET-UHFFFAOYSA-N 2 1 379.508 3.570 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC001144712950 902688770 /nfs/dbraw/zinc/68/87/70/902688770.db2.gz JADGFCHFFPXYIX-FSSWDIPSSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC001144712950 902688778 /nfs/dbraw/zinc/68/87/78/902688778.db2.gz JADGFCHFFPXYIX-FSSWDIPSSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CC[C@@H]21 ZINC001144712950 902688784 /nfs/dbraw/zinc/68/87/84/902688784.db2.gz JADGFCHFFPXYIX-FSSWDIPSSA-N 2 1 377.536 3.738 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000577370803 902718212 /nfs/dbraw/zinc/71/82/12/902718212.db2.gz GOQXDKKQSAUPCJ-INIZCTEOSA-N 2 1 380.414 3.719 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000846311151 902875541 /nfs/dbraw/zinc/87/55/41/902875541.db2.gz RZZWUUBOMFLIGS-GUDVDZBRSA-N 2 1 396.535 3.539 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccnn3[C@@H](C)CC(C)C)CC2)CC1 ZINC000577962307 903389563 /nfs/dbraw/zinc/38/95/63/903389563.db2.gz QJGXXHYWCDHKBX-SFHVURJKSA-N 2 1 389.588 3.625 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn2cc[nH+]c12 ZINC000578296977 903707007 /nfs/dbraw/zinc/70/70/07/903707007.db2.gz CQINAVQVVCROLU-YJBOKZPZSA-N 2 1 383.521 3.909 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn2cc[nH+]c12 ZINC000578296977 903707017 /nfs/dbraw/zinc/70/70/17/903707017.db2.gz CQINAVQVVCROLU-YJBOKZPZSA-N 2 1 383.521 3.909 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC001147667168 903843989 /nfs/dbraw/zinc/84/39/89/903843989.db2.gz JDRQQGOGOBBXDK-FPOVZHCZSA-N 2 1 385.577 3.665 20 0 GHADMP CN(C)Cc1cc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1F ZINC000150917555 904042639 /nfs/dbraw/zinc/04/26/39/904042639.db2.gz ZMGXQPZFAVQKHF-UHFFFAOYSA-N 2 1 398.570 3.708 20 0 GHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000153454823 904364253 /nfs/dbraw/zinc/36/42/53/904364253.db2.gz SSXDQBAXVHWTND-MSOLQXFVSA-N 2 1 381.520 3.717 20 0 GHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000153454823 904364267 /nfs/dbraw/zinc/36/42/67/904364267.db2.gz SSXDQBAXVHWTND-MSOLQXFVSA-N 2 1 381.520 3.717 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171386260 904452830 /nfs/dbraw/zinc/45/28/30/904452830.db2.gz YMTNEMWTBCMCFR-NRFANRHFSA-N 2 1 393.566 3.952 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)c(F)c1 ZINC000773140016 904476753 /nfs/dbraw/zinc/47/67/53/904476753.db2.gz PQWDZGAFPLOLIH-NRFANRHFSA-N 2 1 394.893 3.948 20 0 GHADMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc(C)c1OC(F)F ZINC000579528344 904675733 /nfs/dbraw/zinc/67/57/33/904675733.db2.gz KXDJXBKTCPNYPG-YOFSQIOKSA-N 2 1 393.522 3.648 20 0 GHADMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc(C)c1OC(F)F ZINC000579528344 904675743 /nfs/dbraw/zinc/67/57/43/904675743.db2.gz KXDJXBKTCPNYPG-YOFSQIOKSA-N 2 1 393.522 3.648 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171537073 904762911 /nfs/dbraw/zinc/76/29/11/904762911.db2.gz YENCOBZGMDCOME-HNNXBMFYSA-N 2 1 375.438 3.904 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604871 904867154 /nfs/dbraw/zinc/86/71/54/904867154.db2.gz IDWRROXGHVXNBL-YDZRNGNQSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604871 904867170 /nfs/dbraw/zinc/86/71/70/904867170.db2.gz IDWRROXGHVXNBL-YDZRNGNQSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604871 904867183 /nfs/dbraw/zinc/86/71/83/904867183.db2.gz IDWRROXGHVXNBL-YDZRNGNQSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@]2(F)CCCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171614042 904876802 /nfs/dbraw/zinc/87/68/02/904876802.db2.gz UGMOGGDNZXCXGW-OAQYLSRUSA-N 2 1 385.568 3.967 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CC1(C)C ZINC001171635011 904922261 /nfs/dbraw/zinc/92/22/61/904922261.db2.gz KQDQUAIJPMDINU-DEOSSOPVSA-N 2 1 398.595 3.690 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)C[C@](C)(O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001171635876 904924460 /nfs/dbraw/zinc/92/44/60/904924460.db2.gz HVYRCQGXESPDQD-ROKPMTFOSA-N 2 1 382.548 3.635 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)C[C@](C)(O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001171635876 904924466 /nfs/dbraw/zinc/92/44/66/904924466.db2.gz HVYRCQGXESPDQD-ROKPMTFOSA-N 2 1 382.548 3.635 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)C[C@](C)(O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001171635876 904924468 /nfs/dbraw/zinc/92/44/68/904924468.db2.gz HVYRCQGXESPDQD-ROKPMTFOSA-N 2 1 382.548 3.635 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001171726140 904951923 /nfs/dbraw/zinc/95/19/23/904951923.db2.gz DFJQMWINIWVSBV-AGHHOFFYSA-N 2 1 391.515 3.520 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001171726140 904951933 /nfs/dbraw/zinc/95/19/33/904951933.db2.gz DFJQMWINIWVSBV-AGHHOFFYSA-N 2 1 391.515 3.520 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1C[C@H](C)[NH+](Cc3ccccc3)C1)[C@H]2C ZINC001171753051 904981563 /nfs/dbraw/zinc/98/15/63/904981563.db2.gz SPWYVEDFDVRFLW-JAXLGGSGSA-N 2 1 395.595 3.763 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)[C@H]2C ZINC001171753051 904981571 /nfs/dbraw/zinc/98/15/71/904981571.db2.gz SPWYVEDFDVRFLW-JAXLGGSGSA-N 2 1 395.595 3.763 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)[C@H]2C ZINC001171753051 904981582 /nfs/dbraw/zinc/98/15/82/904981582.db2.gz SPWYVEDFDVRFLW-JAXLGGSGSA-N 2 1 395.595 3.763 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742656 905032792 /nfs/dbraw/zinc/03/27/92/905032792.db2.gz YAZNHBLXZOWUAX-LPHRJVMESA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171742656 905032811 /nfs/dbraw/zinc/03/28/11/905032811.db2.gz YAZNHBLXZOWUAX-LPHRJVMESA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171742656 905032829 /nfs/dbraw/zinc/03/28/29/905032829.db2.gz YAZNHBLXZOWUAX-LPHRJVMESA-N 2 1 378.564 3.817 20 0 GHADMP CC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155245 905047215 /nfs/dbraw/zinc/04/72/15/905047215.db2.gz FNAQDPGRMVRJRX-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155245 905047227 /nfs/dbraw/zinc/04/72/27/905047227.db2.gz FNAQDPGRMVRJRX-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](Cc1cccc(C(=O)N(C)C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076155245 905047243 /nfs/dbraw/zinc/04/72/43/905047243.db2.gz FNAQDPGRMVRJRX-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](Cc1cccc(C(=O)N(C)C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076155245 905047260 /nfs/dbraw/zinc/04/72/60/905047260.db2.gz FNAQDPGRMVRJRX-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CCN(Cc3ccncc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171980387 905230971 /nfs/dbraw/zinc/23/09/71/905230971.db2.gz QFZQJHUTHXMFSH-GOTSBHOMSA-N 2 1 378.564 3.689 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984650 905241167 /nfs/dbraw/zinc/24/11/67/905241167.db2.gz OEBGENOVJYRFHW-ISKFKSNPSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984650 905241178 /nfs/dbraw/zinc/24/11/78/905241178.db2.gz OEBGENOVJYRFHW-ISKFKSNPSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984650 905241193 /nfs/dbraw/zinc/24/11/93/905241193.db2.gz OEBGENOVJYRFHW-ISKFKSNPSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985494 905244118 /nfs/dbraw/zinc/24/41/18/905244118.db2.gz XENBKEMEJRMZIQ-FGZHOGPDSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985494 905244129 /nfs/dbraw/zinc/24/41/29/905244129.db2.gz XENBKEMEJRMZIQ-FGZHOGPDSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985494 905244137 /nfs/dbraw/zinc/24/41/37/905244137.db2.gz XENBKEMEJRMZIQ-FGZHOGPDSA-N 2 1 383.580 3.764 20 0 GHADMP CCN1CCC2(CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)C1=O ZINC001171987276 905248354 /nfs/dbraw/zinc/24/83/54/905248354.db2.gz SKIIABUYYUKQBT-OAQYLSRUSA-N 2 1 383.580 3.764 20 0 GHADMP CCOC(=O)N1CCC([N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987798 905251673 /nfs/dbraw/zinc/25/16/73/905251673.db2.gz JXCCDBJMIAVMOF-OAQYLSRUSA-N 2 1 387.568 3.982 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987798 905251680 /nfs/dbraw/zinc/25/16/80/905251680.db2.gz JXCCDBJMIAVMOF-OAQYLSRUSA-N 2 1 387.568 3.982 20 0 GHADMP CCOC(=O)N1CCC([NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987798 905251687 /nfs/dbraw/zinc/25/16/87/905251687.db2.gz JXCCDBJMIAVMOF-OAQYLSRUSA-N 2 1 387.568 3.982 20 0 GHADMP CCOC(=O)N1CCC([NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987798 905251695 /nfs/dbraw/zinc/25/16/95/905251695.db2.gz JXCCDBJMIAVMOF-OAQYLSRUSA-N 2 1 387.568 3.982 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058971 905258640 /nfs/dbraw/zinc/25/86/40/905258640.db2.gz YKFHBINVFHRELM-HSALFYBXSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058971 905258653 /nfs/dbraw/zinc/25/86/53/905258653.db2.gz YKFHBINVFHRELM-HSALFYBXSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058971 905258661 /nfs/dbraw/zinc/25/86/61/905258661.db2.gz YKFHBINVFHRELM-HSALFYBXSA-N 2 1 391.600 3.972 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172059607 905259388 /nfs/dbraw/zinc/25/93/88/905259388.db2.gz KAROZMYEBDPFFB-SFHVURJKSA-N 2 1 376.545 3.884 20 0 GHADMP FC1(F)CN(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1 ZINC001172075037 905284277 /nfs/dbraw/zinc/28/42/77/905284277.db2.gz NMQKXAZRBAWNHZ-KOUNCHBCSA-N 2 1 389.534 3.987 20 0 GHADMP OCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC001172076020 905287393 /nfs/dbraw/zinc/28/73/93/905287393.db2.gz GPQSZZUFMGUROS-JOZNFPNDSA-N 2 1 376.544 3.692 20 0 GHADMP CCN1CCC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1=O ZINC001172082478 905295417 /nfs/dbraw/zinc/29/54/17/905295417.db2.gz KNXMQQLIPOKMKV-JKHIJQBDSA-N 2 1 395.591 3.907 20 0 GHADMP CN1C(=O)CCC12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172086821 905303296 /nfs/dbraw/zinc/30/32/96/905303296.db2.gz JDFKTIOLUZAYGI-KOUNCHBCSA-N 2 1 381.564 3.659 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098132 905319916 /nfs/dbraw/zinc/31/99/16/905319916.db2.gz AHFKZCKPNDXNCB-IVDHNXQLSA-N 2 1 379.589 3.875 20 0 GHADMP OC1(C(F)(F)F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172068992 905336970 /nfs/dbraw/zinc/33/69/70/905336970.db2.gz MRUAMHXMYLUNSG-REPLKXPHSA-N 2 1 382.470 3.961 20 0 GHADMP OC1(C(F)(F)F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172068992 905336984 /nfs/dbraw/zinc/33/69/84/905336984.db2.gz MRUAMHXMYLUNSG-REPLKXPHSA-N 2 1 382.470 3.961 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172108773 905356001 /nfs/dbraw/zinc/35/60/01/905356001.db2.gz YZPWICWVRDQHCX-RCJQCDAJSA-N 2 1 377.573 3.769 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C2 ZINC001172110759 905359612 /nfs/dbraw/zinc/35/96/12/905359612.db2.gz OUPBTFQWNCUTTL-NCYKPQTJSA-N 2 1 387.568 3.727 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C2 ZINC001172110759 905359643 /nfs/dbraw/zinc/35/96/43/905359643.db2.gz OUPBTFQWNCUTTL-NCYKPQTJSA-N 2 1 387.568 3.727 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172210459 905409705 /nfs/dbraw/zinc/40/97/05/905409705.db2.gz WKIJRACRVGLGPK-ILRYCDRDSA-N 2 1 390.955 3.908 20 0 GHADMP COCCC[NH+]1CCC([NH2+]C2(Cc3cccnc3)CCC(F)(F)CC2)CC1 ZINC001172248479 905445798 /nfs/dbraw/zinc/44/57/98/905445798.db2.gz KAHADFOPDJDPIA-UHFFFAOYSA-N 2 1 381.511 3.663 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000175216858 905481815 /nfs/dbraw/zinc/48/18/15/905481815.db2.gz VQHOTKVQBGYMTB-HXUWFJFHSA-N 2 1 379.508 3.533 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172335166 905501426 /nfs/dbraw/zinc/50/14/26/905501426.db2.gz FXZFBXYQBFPJPG-WIEKXJNISA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172335166 905501441 /nfs/dbraw/zinc/50/14/41/905501441.db2.gz FXZFBXYQBFPJPG-WIEKXJNISA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001172335166 905501456 /nfs/dbraw/zinc/50/14/56/905501456.db2.gz FXZFBXYQBFPJPG-WIEKXJNISA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001172335166 905501470 /nfs/dbraw/zinc/50/14/70/905501470.db2.gz FXZFBXYQBFPJPG-WIEKXJNISA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@H](CC(C)C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172406813 905533595 /nfs/dbraw/zinc/53/35/95/905533595.db2.gz LHHSABQOMPSHPH-HSZRJFAPSA-N 2 1 385.596 3.868 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H](C)CCOC(C)C)CC2 ZINC001172445008 905562371 /nfs/dbraw/zinc/56/23/71/905562371.db2.gz AYIJOCINGUOBQT-UNMCSNQZSA-N 2 1 389.584 3.588 20 0 GHADMP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172570035 905631001 /nfs/dbraw/zinc/63/10/01/905631001.db2.gz GVPKVAIFMNFLPC-CYBMUJFWSA-N 2 1 388.886 3.686 20 0 GHADMP CC1(C)CC([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)CC(C)(C)O1 ZINC001172651266 905714539 /nfs/dbraw/zinc/71/45/39/905714539.db2.gz XIVSSTNAQKRYGE-IBGZPJMESA-N 2 1 376.541 3.553 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001172665303 905750077 /nfs/dbraw/zinc/75/00/77/905750077.db2.gz IVRQQDRIXARBCH-HUVFLSCGSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001172665303 905750083 /nfs/dbraw/zinc/75/00/83/905750083.db2.gz IVRQQDRIXARBCH-HUVFLSCGSA-N 2 1 391.559 3.820 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172763450 905806677 /nfs/dbraw/zinc/80/66/77/905806677.db2.gz JHWJNHRTWHHEJX-MPJJRAAHSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172763450 905806691 /nfs/dbraw/zinc/80/66/91/905806691.db2.gz JHWJNHRTWHHEJX-MPJJRAAHSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172763450 905806703 /nfs/dbraw/zinc/80/67/03/905806703.db2.gz JHWJNHRTWHHEJX-MPJJRAAHSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172763450 905806723 /nfs/dbraw/zinc/80/67/23/905806723.db2.gz JHWJNHRTWHHEJX-MPJJRAAHSA-N 2 1 387.568 3.734 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001172785796 905828281 /nfs/dbraw/zinc/82/82/81/905828281.db2.gz IZOZIANROVMJSU-RTWAWAEBSA-N 2 1 399.579 3.880 20 0 GHADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172846620 905900490 /nfs/dbraw/zinc/90/04/90/905900490.db2.gz WEDPKMVZBBNEJD-KRWDZBQOSA-N 2 1 389.946 3.947 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177121788 906041225 /nfs/dbraw/zinc/04/12/25/906041225.db2.gz MUSOBMGAZWKBJU-YLJYHZDGSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000177121788 906041241 /nfs/dbraw/zinc/04/12/41/906041241.db2.gz MUSOBMGAZWKBJU-YLJYHZDGSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000177121788 906041258 /nfs/dbraw/zinc/04/12/58/906041258.db2.gz MUSOBMGAZWKBJU-YLJYHZDGSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000177121788 906041276 /nfs/dbraw/zinc/04/12/76/906041276.db2.gz MUSOBMGAZWKBJU-YLJYHZDGSA-N 2 1 398.526 3.721 20 0 GHADMP CCCC[NH+](CCCC)CC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172997138 906071994 /nfs/dbraw/zinc/07/19/94/906071994.db2.gz SHHBWPDRIQNYCQ-UHFFFAOYSA-N 2 1 377.548 3.922 20 0 GHADMP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000177529896 906156665 /nfs/dbraw/zinc/15/66/65/906156665.db2.gz HQELQLZLMXHWPW-LJQANCHMSA-N 2 1 383.540 3.860 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000177529896 906156671 /nfs/dbraw/zinc/15/66/71/906156671.db2.gz HQELQLZLMXHWPW-LJQANCHMSA-N 2 1 383.540 3.860 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173073656 906168156 /nfs/dbraw/zinc/16/81/56/906168156.db2.gz PRODFETYOZJCQI-HKUYNNGSSA-N 2 1 388.556 3.736 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001173108372 906194584 /nfs/dbraw/zinc/19/45/84/906194584.db2.gz DEAFILJHHVFNAA-OAHAVBBTSA-N 2 1 379.589 3.971 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+](CCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173114109 906202538 /nfs/dbraw/zinc/20/25/38/906202538.db2.gz WIZHWWBPRJFCAK-SOAGJPPSSA-N 2 1 397.604 3.597 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CCC([NH3+])(Cc3ccccc3Cl)CC1)CO2 ZINC001173149555 906236749 /nfs/dbraw/zinc/23/67/49/906236749.db2.gz FIPYSLIFUHLVSM-KRWDZBQOSA-N 2 1 386.923 3.688 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCCC[NH+](C)C2)c1 ZINC000628756631 906294356 /nfs/dbraw/zinc/29/43/56/906294356.db2.gz VPZKXFNMHRYQHP-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000628756631 906294373 /nfs/dbraw/zinc/29/43/73/906294373.db2.gz VPZKXFNMHRYQHP-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000628756631 906294377 /nfs/dbraw/zinc/29/43/77/906294377.db2.gz VPZKXFNMHRYQHP-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)C1 ZINC001173280101 906365482 /nfs/dbraw/zinc/36/54/82/906365482.db2.gz SEUHVNOSMQYHRN-UXHICEINSA-N 2 1 383.580 3.816 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1 ZINC000180425806 906768434 /nfs/dbraw/zinc/76/84/34/906768434.db2.gz MVHIFXKADZKOMR-QHCPKHFHSA-N 2 1 394.563 3.849 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000181519642 907019560 /nfs/dbraw/zinc/01/95/60/907019560.db2.gz MXSYVTDQWGUCTK-SFHVURJKSA-N 2 1 391.987 3.902 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc2ccc(Cl)cc2n1C ZINC000182263820 907174085 /nfs/dbraw/zinc/17/40/85/907174085.db2.gz AWISTKDPBIOTOE-KXBFYZLASA-N 2 1 398.938 3.644 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc2ccc(Cl)cc2n1C ZINC000182263820 907174091 /nfs/dbraw/zinc/17/40/91/907174091.db2.gz AWISTKDPBIOTOE-KXBFYZLASA-N 2 1 398.938 3.644 20 0 GHADMP C[NH+]1CCN(c2ccc(Nc3c[nH+]c4ccc(Br)cn34)cc2)CC1 ZINC001174815048 907214063 /nfs/dbraw/zinc/21/40/63/907214063.db2.gz JMBNNOMQXKDAHN-UHFFFAOYSA-N 2 1 386.297 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844818 907251145 /nfs/dbraw/zinc/25/11/45/907251145.db2.gz HDLUCMUFYMUYKQ-GHTZIAJQSA-N 2 1 389.584 3.969 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844818 907251153 /nfs/dbraw/zinc/25/11/53/907251153.db2.gz HDLUCMUFYMUYKQ-GHTZIAJQSA-N 2 1 389.584 3.969 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844818 907251160 /nfs/dbraw/zinc/25/11/60/907251160.db2.gz HDLUCMUFYMUYKQ-GHTZIAJQSA-N 2 1 389.584 3.969 20 0 GHADMP C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001175052499 907356206 /nfs/dbraw/zinc/35/62/06/907356206.db2.gz GCAASHXLAOBLTB-LJBSOROUSA-N 2 1 383.580 3.708 20 0 GHADMP C/C=C\C[C@@H]1CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001175052499 907356221 /nfs/dbraw/zinc/35/62/21/907356221.db2.gz GCAASHXLAOBLTB-LJBSOROUSA-N 2 1 383.580 3.708 20 0 GHADMP Cc1c(-c2cc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)on2)cnn1C ZINC000184621302 907623273 /nfs/dbraw/zinc/62/32/73/907623273.db2.gz XFUVXRKSTNKMPA-QGZVFWFLSA-N 2 1 385.556 3.860 20 0 GHADMP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000631654802 907792095 /nfs/dbraw/zinc/79/20/95/907792095.db2.gz IHHAASZWARTQAU-DBVUQKKJSA-N 2 1 382.907 3.542 20 0 GHADMP COC(=O)CC[C@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001175870373 907808482 /nfs/dbraw/zinc/80/84/82/907808482.db2.gz GAYOFKPRPQIVRX-HSZRJFAPSA-N 2 1 386.580 3.996 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722445 907821645 /nfs/dbraw/zinc/82/16/45/907821645.db2.gz DIJWATVUHUZABC-LSDHHAIUSA-N 2 1 379.932 3.530 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722445 907821661 /nfs/dbraw/zinc/82/16/61/907821661.db2.gz DIJWATVUHUZABC-LSDHHAIUSA-N 2 1 379.932 3.530 20 0 GHADMP C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000187256966 908062107 /nfs/dbraw/zinc/06/21/07/908062107.db2.gz YHRHTEVRFUTUNP-UHFFFAOYSA-N 2 1 385.596 3.868 20 0 GHADMP C[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000187256966 908062115 /nfs/dbraw/zinc/06/21/15/908062115.db2.gz YHRHTEVRFUTUNP-UHFFFAOYSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3CC3CCC3)cc2)C[C@H](C)O1 ZINC001177244488 908483518 /nfs/dbraw/zinc/48/35/18/908483518.db2.gz AMRKCHCWTNKVJO-KDURUIRLSA-N 2 1 382.552 3.582 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC001177266126 908506784 /nfs/dbraw/zinc/50/67/84/908506784.db2.gz AYPMUTTZPWQHOJ-JRGCBEDISA-N 2 1 376.516 3.784 20 0 GHADMP Cc1ccccc1-c1ccccc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001177586389 908651405 /nfs/dbraw/zinc/65/14/05/908651405.db2.gz CLJGEIAKXKICRI-HSZRJFAPSA-N 2 1 379.548 3.694 20 0 GHADMP Cc1ccccc1-c1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001177586389 908651415 /nfs/dbraw/zinc/65/14/15/908651415.db2.gz CLJGEIAKXKICRI-HSZRJFAPSA-N 2 1 379.548 3.694 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000266614798 909232755 /nfs/dbraw/zinc/23/27/55/909232755.db2.gz UPPHMNDXIGXZFC-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000266614798 909232771 /nfs/dbraw/zinc/23/27/71/909232771.db2.gz UPPHMNDXIGXZFC-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000266614798 909232794 /nfs/dbraw/zinc/23/27/94/909232794.db2.gz UPPHMNDXIGXZFC-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(COc2ccccc2)c1 ZINC001179925997 909809099 /nfs/dbraw/zinc/80/90/99/909809099.db2.gz VNFAASQAYTXCJK-GMKZXUHWSA-N 2 1 380.532 3.949 20 0 GHADMP CCc1cccc2cc(C[NH+]3CCC(CC(=O)N4CC[NH+](CC)CC4)CC3)oc21 ZINC001180007073 909878299 /nfs/dbraw/zinc/87/82/99/909878299.db2.gz POPPUZHNQFJKFZ-UHFFFAOYSA-N 2 1 397.563 3.761 20 0 GHADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000638216582 910089274 /nfs/dbraw/zinc/08/92/74/910089274.db2.gz IQVUWFMXUHCQEA-PWRODBHTSA-N 2 1 397.588 3.551 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638487858 910165373 /nfs/dbraw/zinc/16/53/73/910165373.db2.gz BQTYUSGWJXYKCV-GMAHTHKFSA-N 2 1 398.572 3.689 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638487858 910165381 /nfs/dbraw/zinc/16/53/81/910165381.db2.gz BQTYUSGWJXYKCV-GMAHTHKFSA-N 2 1 398.572 3.689 20 0 GHADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1)C1CCCC1 ZINC001180630936 910275888 /nfs/dbraw/zinc/27/58/88/910275888.db2.gz SFDIOGHOSRWYCF-UHFFFAOYSA-N 2 1 397.485 3.660 20 0 GHADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccc(Cl)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180696930 910311712 /nfs/dbraw/zinc/31/17/12/910311712.db2.gz AGUMMBNJDZORGH-LKUPVBHCSA-N 2 1 385.939 3.757 20 0 GHADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180696930 910311726 /nfs/dbraw/zinc/31/17/26/910311726.db2.gz AGUMMBNJDZORGH-LKUPVBHCSA-N 2 1 385.939 3.757 20 0 GHADMP CO[C@@H](CN(CCCn1ccnc1)Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000639167908 910337336 /nfs/dbraw/zinc/33/73/36/910337336.db2.gz MLZQZOSIYRUMLF-UZLBHIALSA-N 2 1 395.906 3.619 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000639302087 910379435 /nfs/dbraw/zinc/37/94/35/910379435.db2.gz BVMYUFBTGYPXRJ-RDGATRHJSA-N 3 1 397.607 3.835 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000639302087 910379450 /nfs/dbraw/zinc/37/94/50/910379450.db2.gz BVMYUFBTGYPXRJ-RDGATRHJSA-N 3 1 397.607 3.835 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000246719044 910531139 /nfs/dbraw/zinc/53/11/39/910531139.db2.gz LOSXGCGTQOFFBD-WOJBJXKFSA-N 2 1 379.589 3.687 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)CC[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001181139639 910566812 /nfs/dbraw/zinc/56/68/12/910566812.db2.gz JZTLPWBPTQYFER-UHFFFAOYSA-N 2 1 385.596 3.869 20 0 GHADMP C[N@@H+](CCC(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC001181141580 910567879 /nfs/dbraw/zinc/56/78/79/910567879.db2.gz SWRKYRRIOCEKMS-UHFFFAOYSA-N 2 1 399.966 3.725 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3nnc(-c4c(Cl)cccc4Cl)o3)C2)CC1 ZINC000639758669 910649510 /nfs/dbraw/zinc/64/95/10/910649510.db2.gz XDUUTZPZQVBLAN-UHFFFAOYSA-N 2 1 381.307 3.961 20 0 GHADMP CCCCOc1ccc(-c2nnc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)o2)cc1 ZINC000639758985 910650939 /nfs/dbraw/zinc/65/09/39/910650939.db2.gz ZFHOTSZLDWGXQK-UHFFFAOYSA-N 2 1 384.524 3.833 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(c1cc(OC)cc2cccnc21)[C@@H](C)CCC[NH3+] ZINC001181997292 911117056 /nfs/dbraw/zinc/11/70/56/911117056.db2.gz PQCVBTSRKYVYQS-FXAWDEMLSA-N 2 1 398.551 3.578 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC001182195719 911260924 /nfs/dbraw/zinc/26/09/24/911260924.db2.gz HCQOWTBURCAMSZ-HXUWFJFHSA-N 2 1 383.536 3.892 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC001182195719 911260931 /nfs/dbraw/zinc/26/09/31/911260931.db2.gz HCQOWTBURCAMSZ-HXUWFJFHSA-N 2 1 383.536 3.892 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000774132750 911434085 /nfs/dbraw/zinc/43/40/85/911434085.db2.gz BAFHDEAKJWKYDJ-UADZTWIMSA-N 2 1 391.515 3.928 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276529 911441806 /nfs/dbraw/zinc/44/18/06/911441806.db2.gz WWIKADUWMHTBSF-VSKRKVRLSA-N 2 1 383.580 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276529 911441812 /nfs/dbraw/zinc/44/18/12/911441812.db2.gz WWIKADUWMHTBSF-VSKRKVRLSA-N 2 1 383.580 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276529 911441821 /nfs/dbraw/zinc/44/18/21/911441821.db2.gz WWIKADUWMHTBSF-VSKRKVRLSA-N 2 1 383.580 3.735 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001182317637 911446195 /nfs/dbraw/zinc/44/61/95/911446195.db2.gz QCFVWEBIFMXXJD-VXKWHMMOSA-N 2 1 393.531 3.590 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001182317637 911446206 /nfs/dbraw/zinc/44/62/06/911446206.db2.gz QCFVWEBIFMXXJD-VXKWHMMOSA-N 2 1 393.531 3.590 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001182347070 911520190 /nfs/dbraw/zinc/52/01/90/911520190.db2.gz XFKAVNWXEBAKMO-FQEVSTJZSA-N 2 1 385.596 3.975 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000641882832 911567071 /nfs/dbraw/zinc/56/70/71/911567071.db2.gz WQICJBMUPUVAOJ-QHCPKHFHSA-N 2 1 394.563 3.693 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@@H]1Oc1ccccc1 ZINC001182825988 912070033 /nfs/dbraw/zinc/07/00/33/912070033.db2.gz MUJSQNANDHOMKD-WWNPGLIZSA-N 2 1 380.532 3.589 20 0 GHADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248552624 912208007 /nfs/dbraw/zinc/20/80/07/912208007.db2.gz JCRUMKZHCZMBFU-DYESRHJHSA-N 2 1 376.903 3.966 20 0 GHADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248552624 912208040 /nfs/dbraw/zinc/20/80/40/912208040.db2.gz JCRUMKZHCZMBFU-DYESRHJHSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248552624 912208056 /nfs/dbraw/zinc/20/80/56/912208056.db2.gz JCRUMKZHCZMBFU-DYESRHJHSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248552624 912208081 /nfs/dbraw/zinc/20/80/81/912208081.db2.gz JCRUMKZHCZMBFU-DYESRHJHSA-N 2 1 376.903 3.966 20 0 GHADMP C[C@H]1[C@H](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C[NH+]1C(c1ccccc1)c1ccccc1 ZINC001186949395 914914215 /nfs/dbraw/zinc/91/42/15/914914215.db2.gz SSLHJWYRFZVDDT-PMOQBDJRSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@H]1[C@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949395 914914228 /nfs/dbraw/zinc/91/42/28/914914228.db2.gz SSLHJWYRFZVDDT-PMOQBDJRSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@H]1[C@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949395 914914234 /nfs/dbraw/zinc/91/42/34/914914234.db2.gz SSLHJWYRFZVDDT-PMOQBDJRSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291143685 915002632 /nfs/dbraw/zinc/00/26/32/915002632.db2.gz GKAXYLAYJUJYTK-LJQANCHMSA-N 2 1 392.547 3.922 20 0 GHADMP C[C@@H]1CC2(CN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)CC[NH2+]CC2 ZINC000647096415 915027954 /nfs/dbraw/zinc/02/79/54/915027954.db2.gz VBPPIELENDJUBJ-OAQYLSRUSA-N 2 1 391.559 3.679 20 0 GHADMP CCc1nc(N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)cc(C)[nH+]1 ZINC001187600504 915358230 /nfs/dbraw/zinc/35/82/30/915358230.db2.gz UGTGPTFFYAWCNA-FQEVSTJZSA-N 2 1 380.536 3.973 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977416 915460437 /nfs/dbraw/zinc/46/04/37/915460437.db2.gz AZRISLOYYWIWQF-UONOGXRCSA-N 2 1 378.879 3.741 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977416 915460449 /nfs/dbraw/zinc/46/04/49/915460449.db2.gz AZRISLOYYWIWQF-UONOGXRCSA-N 2 1 378.879 3.741 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648830831 915898056 /nfs/dbraw/zinc/89/80/56/915898056.db2.gz CDVYSFSSOBSTBS-FCEUIQTBSA-N 2 1 394.563 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648830831 915898073 /nfs/dbraw/zinc/89/80/73/915898073.db2.gz CDVYSFSSOBSTBS-FCEUIQTBSA-N 2 1 394.563 3.910 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000293622918 916296279 /nfs/dbraw/zinc/29/62/79/916296279.db2.gz HCBGNTXGVSQARW-XTWGIRIWSA-N 2 1 392.609 3.754 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000650415362 916961444 /nfs/dbraw/zinc/96/14/44/916961444.db2.gz IBUKZZIVUHKVKZ-FQEVSTJZSA-N 2 1 390.597 3.678 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650414573 916964316 /nfs/dbraw/zinc/96/43/16/916964316.db2.gz OLBXHLZBVQJYPR-SFHVURJKSA-N 2 1 390.597 3.728 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362076999 917065073 /nfs/dbraw/zinc/06/50/73/917065073.db2.gz ICOHZFULSBLHPV-HKUYNNGSSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000362076999 917065085 /nfs/dbraw/zinc/06/50/85/917065085.db2.gz ICOHZFULSBLHPV-HKUYNNGSSA-N 2 1 389.341 3.660 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCCc1ccccc1 ZINC001190373595 917308345 /nfs/dbraw/zinc/30/83/45/917308345.db2.gz BFISHESZURFVGF-XUZZJYLKSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCCc1ccccc1 ZINC001190373595 917308358 /nfs/dbraw/zinc/30/83/58/917308358.db2.gz BFISHESZURFVGF-XUZZJYLKSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCCc1ccccc1 ZINC001190373595 917308365 /nfs/dbraw/zinc/30/83/65/917308365.db2.gz BFISHESZURFVGF-XUZZJYLKSA-N 2 1 393.575 3.720 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000651252597 917550334 /nfs/dbraw/zinc/55/03/34/917550334.db2.gz LEUZNYTZWMRCFK-KEZOAJOQSA-N 2 1 395.591 3.810 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 ZINC001190817737 917580230 /nfs/dbraw/zinc/58/02/30/917580230.db2.gz DPZALNMUVGKHPJ-UHFFFAOYSA-N 2 1 387.612 3.695 20 0 GHADMP CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191100005 917755410 /nfs/dbraw/zinc/75/54/10/917755410.db2.gz QLWPFVVTZNYBLF-IBGZPJMESA-N 2 1 388.552 3.971 20 0 GHADMP CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191100005 917755418 /nfs/dbraw/zinc/75/54/18/917755418.db2.gz QLWPFVVTZNYBLF-IBGZPJMESA-N 2 1 388.552 3.971 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000652346578 917877223 /nfs/dbraw/zinc/87/72/23/917877223.db2.gz ARCOKTLWIBEJBZ-XAUMDUMWSA-N 2 1 375.900 3.713 20 0 GHADMP CC[C@H](C)C[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191374943 917979927 /nfs/dbraw/zinc/97/99/27/917979927.db2.gz MFBCSSXTHUVEDC-PXNSSMCTSA-N 2 1 379.976 3.961 20 0 GHADMP CC[C@H](C)C[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191374943 917979934 /nfs/dbraw/zinc/97/99/34/917979934.db2.gz MFBCSSXTHUVEDC-PXNSSMCTSA-N 2 1 379.976 3.961 20 0 GHADMP Cc1cc(F)ccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363362051 918145551 /nfs/dbraw/zinc/14/55/51/918145551.db2.gz BCPJTOSKQWRJFZ-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000363372403 918166261 /nfs/dbraw/zinc/16/62/61/918166261.db2.gz WVKQBTXSSBDTPK-CABCVRRESA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000363372403 918166273 /nfs/dbraw/zinc/16/62/73/918166273.db2.gz WVKQBTXSSBDTPK-CABCVRRESA-N 2 1 383.330 3.573 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000654367173 919068894 /nfs/dbraw/zinc/06/88/94/919068894.db2.gz LTDLHTMYTUEFOG-UHFFFAOYSA-N 2 1 383.458 3.840 20 0 GHADMP C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382019901 919717890 /nfs/dbraw/zinc/71/78/90/919717890.db2.gz XONNZCPLAXPAPM-PKOBYXMFSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000800504885 920205218 /nfs/dbraw/zinc/20/52/18/920205218.db2.gz GTSWLNKYTNJPNL-LZNUQWSPSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800507525 920215386 /nfs/dbraw/zinc/21/53/86/920215386.db2.gz YLIDRESNUIUKCP-BXVPIJCMSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800507525 920215401 /nfs/dbraw/zinc/21/54/01/920215401.db2.gz YLIDRESNUIUKCP-BXVPIJCMSA-N 2 1 391.559 3.706 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000367518264 922168453 /nfs/dbraw/zinc/16/84/53/922168453.db2.gz HMEXHBNTBSDSLW-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(-n4ccnc4)c3)CC2)nc(C)[nH+]1 ZINC000902832843 922540967 /nfs/dbraw/zinc/54/09/67/922540967.db2.gz QTEZUFZTTPDHFH-KRWDZBQOSA-N 2 1 376.508 3.599 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902832979 922541270 /nfs/dbraw/zinc/54/12/70/922541270.db2.gz SUPSHEDONMZLMB-HNNXBMFYSA-N 2 1 393.453 3.908 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000903085956 922761758 /nfs/dbraw/zinc/76/17/58/922761758.db2.gz JHQVUFSFINFWEW-UMAFKHPFSA-N 2 1 377.573 3.769 20 0 GHADMP C[NH+](C)CC[C@@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cccnc1 ZINC000903376191 922972260 /nfs/dbraw/zinc/97/22/60/922972260.db2.gz AYXKBMFQVARUGB-TWDDROGUSA-N 2 1 378.564 3.717 20 0 GHADMP c1c[nH]c([C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc2)n1 ZINC000903456979 923036217 /nfs/dbraw/zinc/03/62/17/923036217.db2.gz ZLWREOQHTJMFLR-AFXVXQJMSA-N 2 1 387.531 3.784 20 0 GHADMP c1c[nH]c([C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc2)n1 ZINC000903456979 923036235 /nfs/dbraw/zinc/03/62/35/923036235.db2.gz ZLWREOQHTJMFLR-AFXVXQJMSA-N 2 1 387.531 3.784 20 0 GHADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000369933217 923751114 /nfs/dbraw/zinc/75/11/14/923751114.db2.gz BTKLCMJUSNJICT-HKUYNNGSSA-N 2 1 397.485 3.546 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@@H]1C ZINC000748958109 923955569 /nfs/dbraw/zinc/95/55/69/923955569.db2.gz DGUNUPRDELLYNI-GHTZIAJQSA-N 2 1 378.605 3.545 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)s2)cc1 ZINC000370702730 924265507 /nfs/dbraw/zinc/26/55/07/924265507.db2.gz RBJUFMWJALVZAV-GHTZIAJQSA-N 2 1 384.593 3.576 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)s2)cc1 ZINC000370702730 924265512 /nfs/dbraw/zinc/26/55/12/924265512.db2.gz RBJUFMWJALVZAV-GHTZIAJQSA-N 2 1 384.593 3.576 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)s2)cc1 ZINC000370702732 924265586 /nfs/dbraw/zinc/26/55/86/924265586.db2.gz RBJUFMWJALVZAV-RXVVDRJESA-N 2 1 384.593 3.576 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)s2)cc1 ZINC000370702732 924265593 /nfs/dbraw/zinc/26/55/93/924265593.db2.gz RBJUFMWJALVZAV-RXVVDRJESA-N 2 1 384.593 3.576 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3cccc(Br)c3)C2)CC1 ZINC000371331609 924530576 /nfs/dbraw/zinc/53/05/76/924530576.db2.gz JHLKPLGDUDOORD-YLJYHZDGSA-N 2 1 394.401 3.653 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000678286071 924707962 /nfs/dbraw/zinc/70/79/62/924707962.db2.gz YCOBLHOCMILLKH-OAQYLSRUSA-N 2 1 385.596 3.681 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCOc2ccccc21 ZINC000678286071 924707968 /nfs/dbraw/zinc/70/79/68/924707968.db2.gz YCOBLHOCMILLKH-OAQYLSRUSA-N 3 1 385.596 3.681 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCOc2ccccc21 ZINC000678286071 924707983 /nfs/dbraw/zinc/70/79/83/924707983.db2.gz YCOBLHOCMILLKH-OAQYLSRUSA-N 3 1 385.596 3.681 20 0 GHADMP CCOc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCCOc1cccc(C)c1 ZINC000678342838 924734991 /nfs/dbraw/zinc/73/49/91/924734991.db2.gz AWBSPXNHNXBUMB-NHCUHLMSSA-N 2 1 396.531 3.503 20 0 GHADMP c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343709 924736010 /nfs/dbraw/zinc/73/60/10/924736010.db2.gz XSPYRCSFQGMGBM-RTBURBONSA-N 2 1 384.483 3.937 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000680271015 925417219 /nfs/dbraw/zinc/41/72/19/925417219.db2.gz UFNRTEUGHCGKDM-WXFUMESZSA-N 2 1 391.559 3.779 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000680328874 925444803 /nfs/dbraw/zinc/44/48/03/925444803.db2.gz JVHMLNFBQQRLKF-LJQANCHMSA-N 2 1 375.520 3.672 20 0 GHADMP CC(CC[NH+]1CCC[C@@H]1CN1CCCC1)CC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000411226955 926216452 /nfs/dbraw/zinc/21/64/52/926216452.db2.gz OGJNIKHUEUOLAJ-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CCC[C@@H]1C[NH+]1CCCC1)CC[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000411226955 926216455 /nfs/dbraw/zinc/21/64/55/926216455.db2.gz OGJNIKHUEUOLAJ-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CCC[C@@H]1C[NH+]1CCCC1)CC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000411226955 926216460 /nfs/dbraw/zinc/21/64/60/926216460.db2.gz OGJNIKHUEUOLAJ-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP CC[NH+]1CCC([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411304334 926286981 /nfs/dbraw/zinc/28/69/81/926286981.db2.gz HUSUKMYUHCSATP-QFIPXVFZSA-N 2 1 385.577 3.760 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411304334 926287001 /nfs/dbraw/zinc/28/70/01/926287001.db2.gz HUSUKMYUHCSATP-QFIPXVFZSA-N 2 1 385.577 3.760 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000411688041 926655412 /nfs/dbraw/zinc/65/54/12/926655412.db2.gz HPWOKYNWABCXQC-QFIPXVFZSA-N 2 1 395.547 3.914 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000411688041 926655420 /nfs/dbraw/zinc/65/54/20/926655420.db2.gz HPWOKYNWABCXQC-QFIPXVFZSA-N 2 1 395.547 3.914 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000750670979 927789120 /nfs/dbraw/zinc/78/91/20/927789120.db2.gz ZOEBVAWXPCFZDN-RTBURBONSA-N 2 1 382.552 3.766 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750982352 927965416 /nfs/dbraw/zinc/96/54/16/927965416.db2.gz WPFPXJFDSLVSDJ-HRTMPFAESA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750982352 927965423 /nfs/dbraw/zinc/96/54/23/927965423.db2.gz WPFPXJFDSLVSDJ-HRTMPFAESA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000751054550 928003290 /nfs/dbraw/zinc/00/32/90/928003290.db2.gz LISMYAXLCGDHDR-XPPIMPSXSA-N 2 1 383.580 3.954 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751087333 928023532 /nfs/dbraw/zinc/02/35/32/928023532.db2.gz NKVJHZMPGISGEG-XEVCZEQESA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000751092927 928024900 /nfs/dbraw/zinc/02/49/00/928024900.db2.gz FRULITJGRHITAA-JSRJAPPDSA-N 2 1 386.584 3.603 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000751980729 928526305 /nfs/dbraw/zinc/52/63/05/928526305.db2.gz TVDXPDCJMFRQOX-UHFFFAOYSA-N 2 1 380.532 3.746 20 0 GHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543942303 928592127 /nfs/dbraw/zinc/59/21/27/928592127.db2.gz DLZFNZYILFMVLA-DYESRHJHSA-N 2 1 397.592 3.524 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000467161554 928773066 /nfs/dbraw/zinc/77/30/66/928773066.db2.gz ONDRDGZRVIKTIU-QGZVFWFLSA-N 2 1 395.975 3.798 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCCC1 ZINC000544204906 928930015 /nfs/dbraw/zinc/93/00/15/928930015.db2.gz DZXYLLJCNLYUCD-IBGZPJMESA-N 2 1 386.584 3.874 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC[N@@H+]1C ZINC000467419211 929051954 /nfs/dbraw/zinc/05/19/54/929051954.db2.gz PPYYIXRHWFLCFC-MDASCCDHSA-N 2 1 381.358 3.989 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC[N@H+]1C ZINC000467419211 929051963 /nfs/dbraw/zinc/05/19/63/929051963.db2.gz PPYYIXRHWFLCFC-MDASCCDHSA-N 2 1 381.358 3.989 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000544343881 929072797 /nfs/dbraw/zinc/07/27/97/929072797.db2.gz TVMIVDAJJQPCIC-ZPMCFJSWSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000544343881 929072802 /nfs/dbraw/zinc/07/28/02/929072802.db2.gz TVMIVDAJJQPCIC-ZPMCFJSWSA-N 2 1 399.966 3.970 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544349931 929081168 /nfs/dbraw/zinc/08/11/68/929081168.db2.gz SLJAGMUURPKFOH-NRFANRHFSA-N 2 1 375.520 3.530 20 0 GHADMP CCc1ccc([C@H](C[NH+]2CCOCC2)Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000544383879 929115125 /nfs/dbraw/zinc/11/51/25/929115125.db2.gz NETGIQVYILLTIE-DEOSSOPVSA-N 2 1 397.563 3.675 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)c1ccccc1 ZINC000544435724 929179562 /nfs/dbraw/zinc/17/95/62/929179562.db2.gz ZDOVVAOOHCVGJR-FAKFISEUSA-N 2 1 379.548 3.547 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000467685258 929301169 /nfs/dbraw/zinc/30/11/69/929301169.db2.gz GIKKUUMJDBMJJS-GBXCKJPGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc(C(F)(F)F)cs1 ZINC000467736940 929354359 /nfs/dbraw/zinc/35/43/59/929354359.db2.gz GEIVIEMAHJWDDY-ZDUSSCGKSA-N 2 1 399.482 3.969 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000753534855 929394655 /nfs/dbraw/zinc/39/46/55/929394655.db2.gz GDAUUELMIDRGMA-XLIONFOSSA-N 2 1 399.539 3.843 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000753548065 929406698 /nfs/dbraw/zinc/40/66/98/929406698.db2.gz ATGWECDNIMRSMI-FCHUYYIVSA-N 2 1 380.467 3.803 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1 ZINC000469499237 929944434 /nfs/dbraw/zinc/94/44/34/929944434.db2.gz HLUOGTCSRDPLJW-UHFFFAOYSA-N 2 1 390.325 3.825 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000469521809 929963966 /nfs/dbraw/zinc/96/39/66/929963966.db2.gz IXYIKDPESUSGSA-UXHICEINSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@@](C)(c3ccccn3)CC2=O)CC1 ZINC000758239526 929983920 /nfs/dbraw/zinc/98/39/20/929983920.db2.gz MRBOEHVHSZQLRC-RDPSFJRHSA-N 2 1 398.595 3.506 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@@](C)(c3ccccn3)CC2=O)CC1 ZINC000758239526 929983924 /nfs/dbraw/zinc/98/39/24/929983924.db2.gz MRBOEHVHSZQLRC-RDPSFJRHSA-N 2 1 398.595 3.506 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2OCCOCC)CC1 ZINC000469999490 930306758 /nfs/dbraw/zinc/30/67/58/930306758.db2.gz BGSYTDQNUXUSED-UHFFFAOYSA-N 2 1 399.373 3.686 20 0 GHADMP CCC[N@@H+](Cc1cc(Br)c(OCC)c(OC)c1)C1CC[NH2+]CC1 ZINC000470024443 930323702 /nfs/dbraw/zinc/32/37/02/930323702.db2.gz LTGZIKJSWQYDKK-UHFFFAOYSA-N 2 1 385.346 3.820 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000470122194 930389656 /nfs/dbraw/zinc/38/96/56/930389656.db2.gz SHROVVISWMLRTE-SFHVURJKSA-N 2 1 381.520 3.721 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000759534229 930395406 /nfs/dbraw/zinc/39/54/06/930395406.db2.gz JPKQKDXLYKBYJZ-UJKMTWAASA-N 2 1 384.568 3.528 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000780877980 930625300 /nfs/dbraw/zinc/62/53/00/930625300.db2.gz LLMRGVYLLHHCBC-WIYYLYMNSA-N 2 1 381.520 3.908 20 0 GHADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000781422883 930838553 /nfs/dbraw/zinc/83/85/53/930838553.db2.gz QDMAWCSGVDWEFU-CDIGIKMISA-N 2 1 382.523 3.924 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](CCCCCCCCC[N@H+]2CCN(C)[C@H](C)[C@@H]2C)CCN1C ZINC000781903399 931019259 /nfs/dbraw/zinc/01/92/59/931019259.db2.gz SDWQERUNSNIXAP-LUKWVAJMSA-N 2 1 380.665 3.766 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OCCO ZINC000547505567 931079957 /nfs/dbraw/zinc/07/99/57/931079957.db2.gz ZLHTXPQRBZNKRT-NNMXDRDESA-N 2 1 398.547 3.628 20 0 GHADMP c1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CCOCC2)cc1 ZINC000782757906 931326766 /nfs/dbraw/zinc/32/67/66/931326766.db2.gz RCKQDXVGQZUSPS-DEOSSOPVSA-N 2 1 380.532 3.776 20 0 GHADMP CCCOc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000557342968 931358471 /nfs/dbraw/zinc/35/84/71/931358471.db2.gz RXXFHJKHVQPDMF-WOJBJXKFSA-N 2 1 390.568 3.566 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4cnc(C)o4)cc3)CC2)CC1 ZINC000557489353 931466707 /nfs/dbraw/zinc/46/67/07/931466707.db2.gz JDZZVXFPFVYKTC-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924671018 931469271 /nfs/dbraw/zinc/46/92/71/931469271.db2.gz OLBJYDGSMZZEOU-WZONZLPQSA-N 2 1 378.520 3.533 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000784318857 931854184 /nfs/dbraw/zinc/85/41/84/931854184.db2.gz ANPRFRMSNCNCBX-OEMFJLHTSA-N 2 1 380.532 3.683 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000784318857 931854191 /nfs/dbraw/zinc/85/41/91/931854191.db2.gz ANPRFRMSNCNCBX-OEMFJLHTSA-N 2 1 380.532 3.683 20 0 GHADMP CC(C)([NH3+])CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000925742041 931888714 /nfs/dbraw/zinc/88/87/14/931888714.db2.gz OHOAOVWPQBRULO-GOSISDBHSA-N 2 1 380.941 3.550 20 0 GHADMP C[C@]1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798528881 932692944 /nfs/dbraw/zinc/69/29/44/932692944.db2.gz HGNUOFXVAQFHEE-RUZDIDTESA-N 2 1 391.559 3.924 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000798953606 932835785 /nfs/dbraw/zinc/83/57/85/932835785.db2.gz ILPHOJFWPDXFMS-ZFGGDYGUSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000798953606 932835787 /nfs/dbraw/zinc/83/57/87/932835787.db2.gz ILPHOJFWPDXFMS-ZFGGDYGUSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000798953606 932835788 /nfs/dbraw/zinc/83/57/88/932835788.db2.gz ILPHOJFWPDXFMS-ZFGGDYGUSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@@]1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000799013629 932852180 /nfs/dbraw/zinc/85/21/80/932852180.db2.gz UMVXVBBTIVJRSR-URXFXBBRSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@]1(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000799013629 932852186 /nfs/dbraw/zinc/85/21/86/932852186.db2.gz UMVXVBBTIVJRSR-URXFXBBRSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@]1(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799013629 932852191 /nfs/dbraw/zinc/85/21/91/932852191.db2.gz UMVXVBBTIVJRSR-URXFXBBRSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177813 932898226 /nfs/dbraw/zinc/89/82/26/932898226.db2.gz VXPWYFWTIMDGPX-OAHLLOKOSA-N 2 1 394.357 3.584 20 0 GHADMP CCN(C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000799178484 932900207 /nfs/dbraw/zinc/90/02/07/932900207.db2.gz WKCSYCMIWSOBKO-SFHVURJKSA-N 2 1 375.532 3.543 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001115896861 933235015 /nfs/dbraw/zinc/23/50/15/933235015.db2.gz MXGJMHNHDAKKMW-FQEVSTJZSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001115896861 933235021 /nfs/dbraw/zinc/23/50/21/933235021.db2.gz MXGJMHNHDAKKMW-FQEVSTJZSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115896861 933235027 /nfs/dbraw/zinc/23/50/27/933235027.db2.gz MXGJMHNHDAKKMW-FQEVSTJZSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115896861 933235033 /nfs/dbraw/zinc/23/50/33/933235033.db2.gz MXGJMHNHDAKKMW-FQEVSTJZSA-N 2 1 379.548 3.809 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066820 933316499 /nfs/dbraw/zinc/31/64/99/933316499.db2.gz VBAPZRBQJVTPLD-RTBURBONSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066820 933316511 /nfs/dbraw/zinc/31/65/11/933316511.db2.gz VBAPZRBQJVTPLD-RTBURBONSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066820 933316526 /nfs/dbraw/zinc/31/65/26/933316526.db2.gz VBAPZRBQJVTPLD-RTBURBONSA-N 2 1 397.485 3.660 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000560536571 933322059 /nfs/dbraw/zinc/32/20/59/933322059.db2.gz NWUURFDHFBNHJS-HTAPYJJXSA-N 2 1 393.531 3.969 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000560536571 933322070 /nfs/dbraw/zinc/32/20/70/933322070.db2.gz NWUURFDHFBNHJS-HTAPYJJXSA-N 2 1 393.531 3.969 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1F ZINC000560860854 933626782 /nfs/dbraw/zinc/62/67/82/933626782.db2.gz WGDGBDXXEBUBLC-KRWDZBQOSA-N 2 1 389.858 3.503 20 0 GHADMP C[NH+]1CCC(C2CC[NH+](Cc3[nH]nc4ccc(Br)cc43)CC2)CC1 ZINC001139658907 933849630 /nfs/dbraw/zinc/84/96/30/933849630.db2.gz SWLOAXGLKPMDQE-UHFFFAOYSA-N 2 1 391.357 3.879 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000561755423 934423230 /nfs/dbraw/zinc/42/32/30/934423230.db2.gz XKRAFBWFFOSKBM-UHFFFAOYSA-N 2 1 385.405 3.860 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561984512 934607326 /nfs/dbraw/zinc/60/73/26/934607326.db2.gz KBJAVOBVCVCRGZ-QUCCMNQESA-N 2 1 383.939 3.851 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561984512 934607342 /nfs/dbraw/zinc/60/73/42/934607342.db2.gz KBJAVOBVCVCRGZ-QUCCMNQESA-N 2 1 383.939 3.851 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CCN(Cc2c(Cl)cncc2Cl)CC3)cn1 ZINC001137607077 935621904 /nfs/dbraw/zinc/62/19/04/935621904.db2.gz WIODFEBMNJXRPD-UHFFFAOYSA-N 2 1 394.350 3.753 20 0 GHADMP CCC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC[N@@H+]1Cc1ccccc1 ZINC001137819544 935806832 /nfs/dbraw/zinc/80/68/32/935806832.db2.gz XKGFIZGGGPAVLB-PZJWPPBQSA-N 2 1 382.552 3.910 20 0 GHADMP CCC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC[N@H+]1Cc1ccccc1 ZINC001137819544 935806837 /nfs/dbraw/zinc/80/68/37/935806837.db2.gz XKGFIZGGGPAVLB-PZJWPPBQSA-N 2 1 382.552 3.910 20 0 GHADMP CN(C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC001625850238 1014227289 /nfs/dbraw/zinc/22/72/89/1014227289.db2.gz AIJWBZOHNJTXRC-IBGZPJMESA-N 2 1 390.597 3.823 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468019273 1015151121 /nfs/dbraw/zinc/15/11/21/1015151121.db2.gz GDLWIJBTCZNMOD-TUNNFDKTSA-N 2 1 388.600 3.735 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468026560 1015163249 /nfs/dbraw/zinc/16/32/49/1015163249.db2.gz VHTHLQKXOIDZIW-BDKRGJGYSA-N 2 1 386.584 3.678 20 0 GHADMP c1ccc(C[N@H+]2CCOCC3(CCC3)C2)c(C[NH+]2CCOCC3(CCC3)C2)c1 ZINC000545397287 1015839405 /nfs/dbraw/zinc/83/94/05/1015839405.db2.gz UCLHVASQMWZGAT-UHFFFAOYSA-N 2 1 384.564 3.692 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001221135132 1032301771 /nfs/dbraw/zinc/30/17/71/1032301771.db2.gz ZBWJXKZGGGDGIQ-QHCPKHFHSA-N 2 1 398.595 3.879 20 0 GHADMP [NH3+][C@@H]1CCC[C@H](Nc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001154988149 1032368685 /nfs/dbraw/zinc/36/86/85/1032368685.db2.gz PODAZHAHMONCTM-CABCVRRESA-N 2 1 385.581 3.848 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001221435040 1032413042 /nfs/dbraw/zinc/41/30/42/1032413042.db2.gz ISFWATXNHNLEET-HKBOAZHASA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001221435040 1032413049 /nfs/dbraw/zinc/41/30/49/1032413049.db2.gz ISFWATXNHNLEET-HKBOAZHASA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001221435040 1032413054 /nfs/dbraw/zinc/41/30/54/1032413054.db2.gz ISFWATXNHNLEET-HKBOAZHASA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1C[C@@H](CNc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)C[NH2+]1 ZINC001155102122 1032416066 /nfs/dbraw/zinc/41/60/66/1032416066.db2.gz UUEHABVAXTUQIK-BZUAXINKSA-N 2 1 399.608 3.822 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001227435625 1032419389 /nfs/dbraw/zinc/41/93/89/1032419389.db2.gz RUDRIAFHJVVPBQ-FGZHOGPDSA-N 2 1 388.600 3.661 20 0 GHADMP Fc1cc(Cl)cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155358258 1032517166 /nfs/dbraw/zinc/51/71/66/1032517166.db2.gz QFISXTWVJTUFBS-KRWDZBQOSA-N 2 1 388.918 3.788 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ncc4ccccc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155358053 1032517319 /nfs/dbraw/zinc/51/73/19/1032517319.db2.gz NLIUSYSPVIWXPI-NRFANRHFSA-N 2 1 387.531 3.544 20 0 GHADMP CC(C)(C)c1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncn1 ZINC001155361737 1032519481 /nfs/dbraw/zinc/51/94/81/1032519481.db2.gz NBSDMSCPUNHXDD-FQEVSTJZSA-N 2 1 393.579 3.688 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149655 1032603377 /nfs/dbraw/zinc/60/33/77/1032603377.db2.gz WVMZLTCNBWZJNJ-PMVMPFDFSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149655 1032603383 /nfs/dbraw/zinc/60/33/83/1032603383.db2.gz WVMZLTCNBWZJNJ-PMVMPFDFSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149655 1032603388 /nfs/dbraw/zinc/60/33/88/1032603388.db2.gz WVMZLTCNBWZJNJ-PMVMPFDFSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149655 1032603395 /nfs/dbraw/zinc/60/33/95/1032603395.db2.gz WVMZLTCNBWZJNJ-PMVMPFDFSA-N 2 1 393.531 3.601 20 0 GHADMP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000558709359 1017270320 /nfs/dbraw/zinc/27/03/20/1017270320.db2.gz AOALETYAJVCZRL-KNQAVFIVSA-N 2 1 386.584 3.585 20 0 GHADMP COc1cccc(OC)c1C[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001204248868 1032690222 /nfs/dbraw/zinc/69/02/22/1032690222.db2.gz JAHGEBRTSRVNIZ-UHFFFAOYSA-N 2 1 377.488 3.883 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC001204263043 1032707365 /nfs/dbraw/zinc/70/73/65/1032707365.db2.gz FFFXOBICPZNPDW-PKTZIBPZSA-N 2 1 396.531 3.753 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001204269119 1032711131 /nfs/dbraw/zinc/71/11/31/1032711131.db2.gz UZERSUJJWJTCMP-IBGZPJMESA-N 2 1 376.541 3.571 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001204268996 1032711976 /nfs/dbraw/zinc/71/19/76/1032711976.db2.gz RXBGLIGZIYCJJQ-HXUWFJFHSA-N 2 1 390.474 3.949 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001204272166 1032714760 /nfs/dbraw/zinc/71/47/60/1032714760.db2.gz YFBNMDMGLZMGFL-ILBGXUMGSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC001204272166 1032714771 /nfs/dbraw/zinc/71/47/71/1032714771.db2.gz YFBNMDMGLZMGFL-ILBGXUMGSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC001204272166 1032714782 /nfs/dbraw/zinc/71/47/82/1032714782.db2.gz YFBNMDMGLZMGFL-ILBGXUMGSA-N 2 1 393.575 3.723 20 0 GHADMP Fc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1Cl ZINC001204283971 1032726432 /nfs/dbraw/zinc/72/64/32/1032726432.db2.gz YQKNRXLILIFTCR-WIYYLYMNSA-N 2 1 389.902 3.597 20 0 GHADMP Cc1cc(NC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn2cc[nH+]c12 ZINC000562614515 1018400056 /nfs/dbraw/zinc/40/00/56/1018400056.db2.gz ISEBQNGHCQDEOF-UHFFFAOYSA-N 2 1 392.507 3.808 20 0 GHADMP CCOC[C@H]1CCCC[N@H+]1Cc1cncc(C[NH+]2CCCC[C@H]2COCC)c1 ZINC000562685127 1018533808 /nfs/dbraw/zinc/53/38/08/1018533808.db2.gz XAUHRBLTCQPESS-ZRZAMGCNSA-N 2 1 389.584 3.864 20 0 GHADMP CCOC[C@H]1CCCC[NH+]1Cc1cncc(C[N@@H+]2CCCC[C@H]2COCC)c1 ZINC000562685127 1018533815 /nfs/dbraw/zinc/53/38/15/1018533815.db2.gz XAUHRBLTCQPESS-ZRZAMGCNSA-N 2 1 389.584 3.864 20 0 GHADMP CCOC[C@H]1CCCC[NH+]1Cc1cncc(C[N@H+]2CCCC[C@H]2COCC)c1 ZINC000562685127 1018533827 /nfs/dbraw/zinc/53/38/27/1018533827.db2.gz XAUHRBLTCQPESS-ZRZAMGCNSA-N 2 1 389.584 3.864 20 0 GHADMP C[C@H](C[NH+](C)C)Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001155920560 1032794049 /nfs/dbraw/zinc/79/40/49/1032794049.db2.gz FCVBZEBVHGIPBY-OAHLLOKOSA-N 2 1 387.597 3.918 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221639 1018923079 /nfs/dbraw/zinc/92/30/79/1018923079.db2.gz QXJVRYVPJIGPDC-MBSDFSHPSA-N 2 1 387.568 3.744 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001228120471 1032795700 /nfs/dbraw/zinc/79/57/00/1032795700.db2.gz VXWVQFQFXPUGFD-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572166012 1019747315 /nfs/dbraw/zinc/74/73/15/1019747315.db2.gz YCOFUGOTLKNGKW-QFBILLFUSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572166012 1019747332 /nfs/dbraw/zinc/74/73/32/1019747332.db2.gz YCOFUGOTLKNGKW-QFBILLFUSA-N 2 1 375.463 3.726 20 0 GHADMP CC(C)Oc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001204454237 1032898259 /nfs/dbraw/zinc/89/82/59/1032898259.db2.gz GDXRQIOFVBYFAF-UHFFFAOYSA-N 2 1 382.552 3.715 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3nccc4ccccc43)CC2)CC1 ZINC001204460229 1032903037 /nfs/dbraw/zinc/90/30/37/1032903037.db2.gz KQDMMYVURSKMCT-LJQANCHMSA-N 2 1 394.563 3.562 20 0 GHADMP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000627524168 1020566654 /nfs/dbraw/zinc/56/66/54/1020566654.db2.gz BQSQWNGOTZTJBI-OYNPSCLESA-N 2 1 397.588 3.515 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc4c(c3)CCCC[C@H]4[NH3+])c2)CC1 ZINC000629761962 1020766980 /nfs/dbraw/zinc/76/69/80/1020766980.db2.gz KSTIABKYZNARTA-XMMPIXPASA-N 2 1 377.532 3.744 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(OC)c1OC ZINC000631618299 1020895679 /nfs/dbraw/zinc/89/56/79/1020895679.db2.gz SUKUHBYZUQCCTB-CTNGQTDRSA-N 2 1 384.520 3.511 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)C1CCCCC1 ZINC000652237293 1021216161 /nfs/dbraw/zinc/21/61/61/1021216161.db2.gz KHNJAZAPCRHEHY-KRWDZBQOSA-N 2 1 381.586 3.753 20 0 GHADMP c1cn(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)cn2)cn1 ZINC000834501695 1021227546 /nfs/dbraw/zinc/22/75/46/1021227546.db2.gz HPXLZQRCSMOFAF-XPWALMASSA-N 2 1 387.531 3.800 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)c2cc(-n3ccnc3)cc[nH+]2)cc1 ZINC001156293417 1032963050 /nfs/dbraw/zinc/96/30/50/1032963050.db2.gz FFDZOAHJOKGUSR-NRFANRHFSA-N 2 1 391.519 3.767 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ccc(C[NH+]5CCCC5)cn4)[C@H]3C2)cc1 ZINC001156317726 1032980316 /nfs/dbraw/zinc/98/03/16/1032980316.db2.gz NDTAITLZLTZVQA-RJGXRXQPSA-N 2 1 376.548 4.000 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000834769329 1021456764 /nfs/dbraw/zinc/45/67/64/1021456764.db2.gz KMHWRZHLWNZORB-UYAOXDASSA-N 2 1 384.524 3.693 20 0 GHADMP C[N@@H+](Cc1ccc(N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)nc1)C1CC1 ZINC001156318107 1032982084 /nfs/dbraw/zinc/98/20/84/1032982084.db2.gz QJJBDEWZKKHDMK-AKIFATBCSA-N 2 1 376.548 3.998 20 0 GHADMP C[NH+](Cc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1)C1CC1 ZINC001156318107 1032982091 /nfs/dbraw/zinc/98/20/91/1032982091.db2.gz QJJBDEWZKKHDMK-AKIFATBCSA-N 2 1 376.548 3.998 20 0 GHADMP C[NH+](Cc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1)C1CC1 ZINC001156318107 1032982099 /nfs/dbraw/zinc/98/20/99/1032982099.db2.gz QJJBDEWZKKHDMK-AKIFATBCSA-N 2 1 376.548 3.998 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc3ccccc3nc2OC)CC1 ZINC001204584545 1032984785 /nfs/dbraw/zinc/98/47/85/1032984785.db2.gz GFNGTSWDPPBDCF-UHFFFAOYSA-N 2 1 385.552 3.814 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccc(Cl)cc1 ZINC001140391671 1021549627 /nfs/dbraw/zinc/54/96/27/1021549627.db2.gz ULSHPAXBLGPIDB-IBGZPJMESA-N 2 1 377.960 3.715 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@H]1c1ccccc1 ZINC000677583221 1021852468 /nfs/dbraw/zinc/85/24/68/1021852468.db2.gz ANKFMCCQMSZARV-XZOQPEGZSA-N 2 1 398.595 3.729 20 0 GHADMP Cn1cnc2cc(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001140509893 1021896111 /nfs/dbraw/zinc/89/61/11/1021896111.db2.gz VXRQDIWIMJFJQS-LNGMVNIQSA-N 2 1 376.548 3.968 20 0 GHADMP Cn1cnc2cc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001140509893 1021896128 /nfs/dbraw/zinc/89/61/28/1021896128.db2.gz VXRQDIWIMJFJQS-LNGMVNIQSA-N 2 1 376.548 3.968 20 0 GHADMP Cn1cnc2cc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001140509893 1021896139 /nfs/dbraw/zinc/89/61/39/1021896139.db2.gz VXRQDIWIMJFJQS-LNGMVNIQSA-N 2 1 376.548 3.968 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(Oc4ccccn4)c3)CC2)CC1 ZINC001204672893 1033024545 /nfs/dbraw/zinc/02/45/45/1033024545.db2.gz KFYKXIVAXPNXGK-UHFFFAOYSA-N 2 1 394.563 3.864 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C)c1 ZINC001140674093 1022228401 /nfs/dbraw/zinc/22/84/01/1022228401.db2.gz LSYQRQMOUVIEAE-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C)c1 ZINC001140674093 1022228419 /nfs/dbraw/zinc/22/84/19/1022228419.db2.gz LSYQRQMOUVIEAE-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP c1oc2ccccc2c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001140785406 1022525861 /nfs/dbraw/zinc/52/58/61/1022525861.db2.gz DVLZYUVWIXASKH-UHFFFAOYSA-N 2 1 391.515 3.942 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001140896733 1022826171 /nfs/dbraw/zinc/82/61/71/1022826171.db2.gz YTOZWIXBVZUYNN-AVRDEDQJSA-N 2 1 399.966 3.923 20 0 GHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)cc1OC ZINC001140974334 1023051032 /nfs/dbraw/zinc/05/10/32/1023051032.db2.gz ZWXWXEDYCWABSK-NRFANRHFSA-N 2 1 395.547 3.793 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N[C@H]4CC[N@H+](C)C4)c23)C1 ZINC001156581324 1033113844 /nfs/dbraw/zinc/11/38/44/1033113844.db2.gz KCCPNGDTTAPQMF-HOTGVXAUSA-N 2 1 399.608 3.918 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N[C@H]4CC[N@@H+](C)C4)c23)C1 ZINC001156581324 1033113858 /nfs/dbraw/zinc/11/38/58/1033113858.db2.gz KCCPNGDTTAPQMF-HOTGVXAUSA-N 2 1 399.608 3.918 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138076654 1024007532 /nfs/dbraw/zinc/00/75/32/1024007532.db2.gz QDGFJYXEMVOOAN-ROUUACIJSA-N 2 1 386.337 3.895 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2cccc(-n3ccnc3)c2)C2CC2)C1 ZINC001141243710 1024251498 /nfs/dbraw/zinc/25/14/98/1024251498.db2.gz SWTMQFJIHSZTPW-HXUWFJFHSA-N 2 1 382.508 3.846 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3c(cc2Br)OCO3)CC1 ZINC001138185020 1024324266 /nfs/dbraw/zinc/32/42/66/1024324266.db2.gz PSUYJHASIBLGBG-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP CN(C)c1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001141261262 1024326897 /nfs/dbraw/zinc/32/68/97/1024326897.db2.gz NZHUIKGZOQTUKY-NOZRDPDXSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001141261262 1024326913 /nfs/dbraw/zinc/32/69/13/1024326913.db2.gz NZHUIKGZOQTUKY-NOZRDPDXSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001141261262 1024326928 /nfs/dbraw/zinc/32/69/28/1024326928.db2.gz NZHUIKGZOQTUKY-NOZRDPDXSA-N 2 1 397.607 3.713 20 0 GHADMP COC(=O)c1ccc2c(CN3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)c[nH]c2c1 ZINC001138261596 1024492907 /nfs/dbraw/zinc/49/29/07/1024492907.db2.gz ALFBCVLPQXAPOT-QZTJIDSGSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1ccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)c[nH]c2c1 ZINC001138261596 1024492911 /nfs/dbraw/zinc/49/29/11/1024492911.db2.gz ALFBCVLPQXAPOT-QZTJIDSGSA-N 2 1 395.528 3.580 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001138437493 1024847497 /nfs/dbraw/zinc/84/74/97/1024847497.db2.gz NKULTFZLQLZEKJ-SZPZYZBQSA-N 2 1 380.532 3.884 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001138437493 1024847520 /nfs/dbraw/zinc/84/75/20/1024847520.db2.gz NKULTFZLQLZEKJ-SZPZYZBQSA-N 2 1 380.532 3.884 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001138437493 1024847552 /nfs/dbraw/zinc/84/75/52/1024847552.db2.gz NKULTFZLQLZEKJ-SZPZYZBQSA-N 2 1 380.532 3.884 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001138437493 1024847576 /nfs/dbraw/zinc/84/75/76/1024847576.db2.gz NKULTFZLQLZEKJ-SZPZYZBQSA-N 2 1 380.532 3.884 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)cc1 ZINC001138543236 1024985652 /nfs/dbraw/zinc/98/56/52/1024985652.db2.gz PJLYNSRTRAWUJY-DHIUTWEWSA-N 2 1 386.499 3.951 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)cc1 ZINC001138543236 1024985657 /nfs/dbraw/zinc/98/56/57/1024985657.db2.gz PJLYNSRTRAWUJY-DHIUTWEWSA-N 2 1 386.499 3.951 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001138549219 1024996193 /nfs/dbraw/zinc/99/61/93/1024996193.db2.gz RSGGOTDQFSJXBM-GOTSBHOMSA-N 2 1 388.515 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001138549219 1024996204 /nfs/dbraw/zinc/99/62/04/1024996204.db2.gz RSGGOTDQFSJXBM-GOTSBHOMSA-N 2 1 388.515 3.804 20 0 GHADMP CCOc1cc2c(cc1OCC)C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC001138771781 1025340026 /nfs/dbraw/zinc/34/00/26/1025340026.db2.gz CPLOGNDPYKMVOH-UHFFFAOYSA-N 2 1 398.547 3.983 20 0 GHADMP CCOc1cc2c(cc1OCC)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC001138771781 1025340035 /nfs/dbraw/zinc/34/00/35/1025340035.db2.gz CPLOGNDPYKMVOH-UHFFFAOYSA-N 2 1 398.547 3.983 20 0 GHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001138773301 1025345538 /nfs/dbraw/zinc/34/55/38/1025345538.db2.gz AJMZMZGCWLGGOY-QFIPXVFZSA-N 2 1 382.504 3.751 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000832257227 1025378301 /nfs/dbraw/zinc/37/83/01/1025378301.db2.gz FWKHSQXDFCOVJJ-VQTJNVASSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc4occc4c3)O2)CC1 ZINC001138823382 1025429286 /nfs/dbraw/zinc/42/92/86/1025429286.db2.gz WFTJANWPIJNTGL-CQOQZXRMSA-N 2 1 398.547 3.913 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC001141550795 1025500041 /nfs/dbraw/zinc/50/00/41/1025500041.db2.gz KUUSKXYAAMVSMV-BGWNEDDSSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC001141550795 1025500053 /nfs/dbraw/zinc/50/00/53/1025500053.db2.gz KUUSKXYAAMVSMV-BGWNEDDSSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC001141550795 1025500057 /nfs/dbraw/zinc/50/00/57/1025500057.db2.gz KUUSKXYAAMVSMV-BGWNEDDSSA-N 2 1 397.607 3.723 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCc3ccc(C)cc3C2)c1C ZINC001141564724 1025563475 /nfs/dbraw/zinc/56/34/75/1025563475.db2.gz JTZWOONZOMJMRU-UHFFFAOYSA-N 2 1 396.579 3.570 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCc3ccc(C)cc3C2)c1C ZINC001141564724 1025563489 /nfs/dbraw/zinc/56/34/89/1025563489.db2.gz JTZWOONZOMJMRU-UHFFFAOYSA-N 2 1 396.579 3.570 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(OC(=O)CC)cc2)CC1 ZINC001138967147 1025676597 /nfs/dbraw/zinc/67/65/97/1025676597.db2.gz BLHDRIMEXZDDQR-UHFFFAOYSA-N 2 1 389.584 3.632 20 0 GHADMP CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(C)(C)C[NH+]1CCCC1 ZINC001162451632 1025752126 /nfs/dbraw/zinc/75/21/26/1025752126.db2.gz TUQJNNGXSXGMJE-NRFANRHFSA-N 2 1 383.580 3.622 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)cc2OC)CC3)c1 ZINC001139141383 1025955311 /nfs/dbraw/zinc/95/53/11/1025955311.db2.gz BWUOWARVJAPMHR-UHFFFAOYSA-N 2 1 396.531 3.898 20 0 GHADMP COCc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162941646 1025978871 /nfs/dbraw/zinc/97/88/71/1025978871.db2.gz YLXAEDADHNYWIU-JOCHJYFZSA-N 2 1 379.548 3.747 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCc2cccc(C(=O)C(F)(F)F)c2)[C@@H](C)C1 ZINC000839561898 1026060758 /nfs/dbraw/zinc/06/07/58/1026060758.db2.gz REKWARCWWQUUDW-YJBOKZPZSA-N 2 1 386.458 3.658 20 0 GHADMP C[N@@H+](Cc1ccc(N2CCC(O)CC2)s1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139295504 1026146442 /nfs/dbraw/zinc/14/64/42/1026146442.db2.gz ZMVWQOPMHMQCBP-UHFFFAOYSA-N 2 1 391.625 3.938 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(NCC4([NH3+])CCC4)c23)C1 ZINC001163328679 1026147451 /nfs/dbraw/zinc/14/74/51/1026147451.db2.gz ZXCZAYZXPPDOTC-AWEZNQCLSA-N 2 1 385.581 3.705 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@@H]([NH3+])c2ccc(C(=O)OC)cc2)nc1 ZINC001163467197 1026205316 /nfs/dbraw/zinc/20/53/16/1026205316.db2.gz QXYPHTAPWMBSEI-NHCUHLMSSA-N 2 1 396.535 3.917 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)[C@H]1CO ZINC001139515713 1026373807 /nfs/dbraw/zinc/37/38/07/1026373807.db2.gz WBMWWOVLAHYWCD-BWKNWUBXSA-N 2 1 393.575 3.602 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000839985607 1026392456 /nfs/dbraw/zinc/39/24/56/1026392456.db2.gz APQGGRXGHGFEOP-QFIPXVFZSA-N 2 1 392.547 3.676 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C2(CCC2)[C@@H]1c1cccnc1 ZINC000839985607 1026392468 /nfs/dbraw/zinc/39/24/68/1026392468.db2.gz APQGGRXGHGFEOP-QFIPXVFZSA-N 2 1 392.547 3.676 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)CC[C@H]3C[NH3+])c2c1C ZINC001164073096 1026402618 /nfs/dbraw/zinc/40/26/18/1026402618.db2.gz HNHYHJFBVREHSN-YOEHRIQHSA-N 2 1 387.597 3.858 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C[NH3+])CC[C@H]3C)c2c1C ZINC001164473794 1026520299 /nfs/dbraw/zinc/52/02/99/1026520299.db2.gz JOAGUMOZDOIUSJ-PBHICJAKSA-N 2 1 387.597 3.858 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)CC1 ZINC001164480462 1026523146 /nfs/dbraw/zinc/52/31/46/1026523146.db2.gz RQHJKUUYAJSNLJ-PWRODBHTSA-N 2 1 385.596 3.864 20 0 GHADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c[nH+]c1N1CCOCC1 ZINC001164492115 1026529023 /nfs/dbraw/zinc/52/90/23/1026529023.db2.gz IYLSBPBNVBGBPW-YMPZKCBVSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c[nH+]c1N1CCOCC1 ZINC001164492115 1026529027 /nfs/dbraw/zinc/52/90/27/1026529027.db2.gz IYLSBPBNVBGBPW-YMPZKCBVSA-N 2 1 392.547 3.549 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c21 ZINC001139721957 1026564121 /nfs/dbraw/zinc/56/41/21/1026564121.db2.gz OJGQSNBHBPSQMH-WOJBJXKFSA-N 2 1 389.499 3.518 20 0 GHADMP COc1ncc(Cl)cc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001139748945 1026588954 /nfs/dbraw/zinc/58/89/54/1026588954.db2.gz YQKMXERIGAHVML-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1ncc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001139748945 1026588965 /nfs/dbraw/zinc/58/89/65/1026588965.db2.gz YQKMXERIGAHVML-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP CN(CC[NH+]1CCCC1)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165140737 1026630966 /nfs/dbraw/zinc/63/09/66/1026630966.db2.gz AGXCEIBNQXIBRP-UHFFFAOYSA-N 2 1 399.608 3.698 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@]4(C3)CCC[NH2+]C4)c2c1C ZINC001165244120 1026678072 /nfs/dbraw/zinc/67/80/72/1026678072.db2.gz RLYUWTDDILHPKU-QFIPXVFZSA-N 2 1 399.608 3.874 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCCCC23CC[NH2+]CC3)cc1 ZINC001165338976 1026707298 /nfs/dbraw/zinc/70/72/98/1026707298.db2.gz MAYBCNLBJDRYCP-UHFFFAOYSA-N 2 1 379.483 3.731 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(O)cc1F)CC2 ZINC001140125758 1026903605 /nfs/dbraw/zinc/90/36/05/1026903605.db2.gz ITDVXBGVTMLUME-KRWDZBQOSA-N 2 1 390.524 3.848 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001461168367 1069423654 /nfs/dbraw/zinc/42/36/54/1069423654.db2.gz BAWNXOBANDHIBD-UYAOXDASSA-N 2 1 375.557 3.921 20 0 GHADMP COCCO[C@H]1CCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)c2ccccc21 ZINC001209730677 1027126118 /nfs/dbraw/zinc/12/61/18/1027126118.db2.gz NBJQQVGAPKTGFI-QFIPXVFZSA-N 2 1 381.520 3.526 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001203526276 1027407344 /nfs/dbraw/zinc/40/73/44/1027407344.db2.gz YBWUSHDKVNHEST-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1C(F)(F)F)C2 ZINC001203685770 1027529558 /nfs/dbraw/zinc/52/95/58/1027529558.db2.gz CPNHHRIMHTZFCX-ICSRJNTNSA-N 2 1 382.470 3.886 20 0 GHADMP COc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(C)c1C ZINC001203720073 1027553360 /nfs/dbraw/zinc/55/33/60/1027553360.db2.gz NYISOQFRNNMFHM-UHFFFAOYSA-N 2 1 382.552 3.553 20 0 GHADMP CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203795503 1027610095 /nfs/dbraw/zinc/61/00/95/1027610095.db2.gz GPWFJGIIYYREKG-UHFFFAOYSA-N 2 1 377.492 3.512 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)cc(OC)c1 ZINC001203856500 1027662191 /nfs/dbraw/zinc/66/21/91/1027662191.db2.gz WDZYVXOGKHLUNG-IGKWTDBASA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc(OC)c1 ZINC001203856500 1027662197 /nfs/dbraw/zinc/66/21/97/1027662197.db2.gz WDZYVXOGKHLUNG-IGKWTDBASA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc(OC)c1 ZINC001203856500 1027662203 /nfs/dbraw/zinc/66/22/03/1027662203.db2.gz WDZYVXOGKHLUNG-IGKWTDBASA-N 2 1 395.547 3.831 20 0 GHADMP CCCN(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC001211069831 1027775828 /nfs/dbraw/zinc/77/58/28/1027775828.db2.gz PAEXUCLYJDTNDL-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP CC(C)[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001211244138 1027854026 /nfs/dbraw/zinc/85/40/26/1027854026.db2.gz DIMKPVAWYTYPQZ-PMACEKPBSA-N 2 1 380.621 3.553 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921554 1027958020 /nfs/dbraw/zinc/95/80/20/1027958020.db2.gz WHTHYMILGNECRN-ICSRJNTNSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921554 1027958023 /nfs/dbraw/zinc/95/80/23/1027958023.db2.gz WHTHYMILGNECRN-ICSRJNTNSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921554 1027958029 /nfs/dbraw/zinc/95/80/29/1027958029.db2.gz WHTHYMILGNECRN-ICSRJNTNSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921554 1027958032 /nfs/dbraw/zinc/95/80/32/1027958032.db2.gz WHTHYMILGNECRN-ICSRJNTNSA-N 2 1 386.536 3.849 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2-n2nnc3ccccc32)C1 ZINC001461372352 1069522561 /nfs/dbraw/zinc/52/25/61/1069522561.db2.gz DQUYCQCAKNZDDZ-LJQANCHMSA-N 2 1 377.536 3.878 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)C1 ZINC000842677920 1029484716 /nfs/dbraw/zinc/48/47/16/1029484716.db2.gz MHCLJVSLOCJEPV-YSTOQKLRSA-N 2 1 379.589 3.732 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5nccn5c4)CC3)C2)cc1 ZINC001143026116 1029789503 /nfs/dbraw/zinc/78/95/03/1029789503.db2.gz YBCYMAJTOYTLSY-UHFFFAOYSA-N 3 1 390.531 3.510 20 0 GHADMP COc1cc(C)cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001143152714 1029871148 /nfs/dbraw/zinc/87/11/48/1029871148.db2.gz PQJVZOQPSZSUHM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001143152714 1029871160 /nfs/dbraw/zinc/87/11/60/1029871160.db2.gz PQJVZOQPSZSUHM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001143152714 1029871167 /nfs/dbraw/zinc/87/11/67/1029871167.db2.gz PQJVZOQPSZSUHM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001143152714 1029871172 /nfs/dbraw/zinc/87/11/72/1029871172.db2.gz PQJVZOQPSZSUHM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000843354054 1029933673 /nfs/dbraw/zinc/93/36/73/1029933673.db2.gz UWTTWHGJOADJAQ-QETWGEEDSA-N 2 1 385.939 3.747 20 0 GHADMP C[N@@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)C1CCC([NH3+])CC1 ZINC000843355519 1029934856 /nfs/dbraw/zinc/93/48/56/1029934856.db2.gz TUHNNBRYNNHQJG-UHFFFAOYSA-N 2 1 395.551 3.670 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126937 1029971852 /nfs/dbraw/zinc/97/18/52/1029971852.db2.gz HZRRCUWCPOYMTO-FCHUYYIVSA-N 2 1 386.584 3.633 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1c(OCC)ccc3ccccc31)CC[NH2+]CC2 ZINC001222220763 1030014788 /nfs/dbraw/zinc/01/47/88/1030014788.db2.gz GTNQDZOSZBOMGT-OAQYLSRUSA-N 2 1 396.531 3.746 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccccc1-c1cccs1)CC[NH2+]CC2 ZINC001222221928 1030015609 /nfs/dbraw/zinc/01/56/09/1030015609.db2.gz SZLJMXSWDCFOPI-LJQANCHMSA-N 2 1 384.545 3.922 20 0 GHADMP CN(c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1)c1ccccc1F ZINC001222407380 1030111448 /nfs/dbraw/zinc/11/14/48/1030111448.db2.gz HEZIHIJKNKQKRA-UHFFFAOYSA-N 2 1 383.511 3.796 20 0 GHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222408064 1030113373 /nfs/dbraw/zinc/11/33/73/1030113373.db2.gz WUPUMRXBIDWNKA-UHFFFAOYSA-N 2 1 381.358 3.775 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001149491502 1030194143 /nfs/dbraw/zinc/19/41/43/1030194143.db2.gz LZJHNIONRIWVTP-MOJGAOKDSA-N 2 1 395.547 3.762 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222601867 1030226009 /nfs/dbraw/zinc/22/60/09/1030226009.db2.gz BPBLXJUIHMYLKG-NRFANRHFSA-N 2 1 378.516 3.831 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222601867 1030226021 /nfs/dbraw/zinc/22/60/21/1030226021.db2.gz BPBLXJUIHMYLKG-NRFANRHFSA-N 2 1 378.516 3.831 20 0 GHADMP O=c1[nH]c2ccccc2c(Cl)c1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614855 1030239156 /nfs/dbraw/zinc/23/91/56/1030239156.db2.gz JYWIMJBZJLABJL-SFHVURJKSA-N 2 1 379.891 3.783 20 0 GHADMP O=c1[nH]c2ccccc2c(Cl)c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614855 1030239171 /nfs/dbraw/zinc/23/91/71/1030239171.db2.gz JYWIMJBZJLABJL-SFHVURJKSA-N 2 1 379.891 3.783 20 0 GHADMP FC(F)(F)[C@@H]1N(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC12CC[NH2+]CC2 ZINC001222642122 1030254364 /nfs/dbraw/zinc/25/43/64/1030254364.db2.gz FTKUNCTXRCJOSS-VQTJNVASSA-N 2 1 395.513 3.905 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001217947029 1030681130 /nfs/dbraw/zinc/68/11/30/1030681130.db2.gz QTSZFSHYVYCYNN-YADHBBJMSA-N 2 1 396.531 3.551 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001217947029 1030681136 /nfs/dbraw/zinc/68/11/36/1030681136.db2.gz QTSZFSHYVYCYNN-YADHBBJMSA-N 2 1 396.531 3.551 20 0 GHADMP C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001218028817 1030730658 /nfs/dbraw/zinc/73/06/58/1030730658.db2.gz IRWFBPPDWQVIEM-QFIXIFRTSA-N 2 1 378.516 3.911 20 0 GHADMP CCOC(=O)[C@@H](CCc1ccccc1)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218285427 1030871325 /nfs/dbraw/zinc/87/13/25/1030871325.db2.gz CFRRTDCFCXLYCH-HSZRJFAPSA-N 2 1 396.531 3.553 20 0 GHADMP CC1(C)C[NH2+]CCc2ccc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc21 ZINC001218342978 1030903489 /nfs/dbraw/zinc/90/34/89/1030903489.db2.gz BYYSPDGNWDYJEY-HSZRJFAPSA-N 2 1 394.559 3.780 20 0 GHADMP CC[N@@H+](CCNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)C1CC1 ZINC001219238782 1031319891 /nfs/dbraw/zinc/31/98/91/1031319891.db2.gz DTYJWGQEHCFBNP-UHFFFAOYSA-N 2 1 390.597 3.870 20 0 GHADMP CC1(Cc2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CC[NH2+]CC1 ZINC001205259526 1033328592 /nfs/dbraw/zinc/32/85/92/1033328592.db2.gz KQGINYYFEFJKJS-GOSISDBHSA-N 2 1 381.455 3.540 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4cccc5[nH]ccc54)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001205273512 1033336175 /nfs/dbraw/zinc/33/61/75/1033336175.db2.gz DFADRPLIGNRWBB-DPLHUUCSSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](Cc4cccc5[nH]ccc54)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001205273512 1033336187 /nfs/dbraw/zinc/33/61/87/1033336187.db2.gz DFADRPLIGNRWBB-DPLHUUCSSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4cccc5[nH]ccc54)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001205273512 1033336198 /nfs/dbraw/zinc/33/61/98/1033336198.db2.gz DFADRPLIGNRWBB-DPLHUUCSSA-N 2 1 389.547 3.739 20 0 GHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001205405253 1033396651 /nfs/dbraw/zinc/39/66/51/1033396651.db2.gz GIEMSYQQKDWHHW-APWZRJJASA-N 2 1 383.374 3.861 20 0 GHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001205405253 1033396665 /nfs/dbraw/zinc/39/66/65/1033396665.db2.gz GIEMSYQQKDWHHW-APWZRJJASA-N 2 1 383.374 3.861 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1 ZINC001157173474 1033448124 /nfs/dbraw/zinc/44/81/24/1033448124.db2.gz ZMHOMKUTAIGSFU-OALUTQOASA-N 2 1 390.572 3.880 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)s2)cc1OC ZINC001205628779 1033499193 /nfs/dbraw/zinc/49/91/93/1033499193.db2.gz WPZHFILTXMYSBX-GDBMZVCRSA-N 2 1 375.538 3.634 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1 ZINC001205638349 1033505676 /nfs/dbraw/zinc/50/56/76/1033505676.db2.gz MSPZPPZXWIKBPV-NQIIRXRSSA-N 2 1 396.531 3.859 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ncc(Br)cc1O ZINC001205677628 1033526150 /nfs/dbraw/zinc/52/61/50/1033526150.db2.gz DPJOIQANRSWIDE-UHFFFAOYSA-N 2 1 378.314 3.633 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C)c(Br)c1 ZINC001205677696 1033526567 /nfs/dbraw/zinc/52/65/67/1033526567.db2.gz GBDUXEZHRZTYCV-GOSISDBHSA-N 2 1 382.390 3.605 20 0 GHADMP Cc1cc(NC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC001205708093 1033540821 /nfs/dbraw/zinc/54/08/21/1033540821.db2.gz FYMXPWCCRMOJIN-JOCHJYFZSA-N 2 1 377.492 3.676 20 0 GHADMP Cc1cc(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC001205708093 1033540828 /nfs/dbraw/zinc/54/08/28/1033540828.db2.gz FYMXPWCCRMOJIN-JOCHJYFZSA-N 2 1 377.492 3.676 20 0 GHADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)C1 ZINC001205725848 1033547355 /nfs/dbraw/zinc/54/73/55/1033547355.db2.gz MCEZPQOSRCSSBP-HXUWFJFHSA-N 2 1 394.437 3.928 20 0 GHADMP COc1ccc(CSC[C@H]([NH3+])c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1 ZINC001205860532 1033610193 /nfs/dbraw/zinc/61/01/93/1033610193.db2.gz YZTAKXMZEYPCQZ-IBGZPJMESA-N 2 1 398.532 3.740 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC001157496318 1033620910 /nfs/dbraw/zinc/62/09/10/1033620910.db2.gz VNUXXPYGINAEOI-MOPGFXCFSA-N 2 1 392.330 3.899 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC001157496318 1033620920 /nfs/dbraw/zinc/62/09/20/1033620920.db2.gz VNUXXPYGINAEOI-MOPGFXCFSA-N 2 1 392.330 3.899 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206025328 1033693292 /nfs/dbraw/zinc/69/32/92/1033693292.db2.gz NLUZSSXGMRNUOU-WIYYLYMNSA-N 2 1 396.531 3.859 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N(c1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1 ZINC001158093834 1033913243 /nfs/dbraw/zinc/91/32/43/1033913243.db2.gz KDMIJGKOHYOALQ-UHFFFAOYSA-N 2 1 375.398 3.877 20 0 GHADMP Cc1c[nH+]ccc1N1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001158105287 1033916932 /nfs/dbraw/zinc/91/69/32/1033916932.db2.gz JIMPDXLLVGACOC-UHFFFAOYSA-N 2 1 399.542 3.670 20 0 GHADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206623481 1033927643 /nfs/dbraw/zinc/92/76/43/1033927643.db2.gz LSRJJZSZZYQYPM-QHCPKHFHSA-N 3 1 392.591 3.570 20 0 GHADMP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC001158144370 1033933851 /nfs/dbraw/zinc/93/38/51/1033933851.db2.gz GXRRQWVJSXMYOT-FQEVSTJZSA-N 2 1 379.548 3.875 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)c1 ZINC001230199863 1033942085 /nfs/dbraw/zinc/94/20/85/1033942085.db2.gz DXQKYTTYWCBZIX-AVRDEDQJSA-N 2 1 386.584 3.591 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC001230199863 1033942089 /nfs/dbraw/zinc/94/20/89/1033942089.db2.gz DXQKYTTYWCBZIX-AVRDEDQJSA-N 2 1 386.584 3.591 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC001230199863 1033942096 /nfs/dbraw/zinc/94/20/96/1033942096.db2.gz DXQKYTTYWCBZIX-AVRDEDQJSA-N 2 1 386.584 3.591 20 0 GHADMP CCOC(=O)C1CC[NH+](Cc2cccc(Nc3c[nH+]c(N(C)C)cc3C)c2)CC1 ZINC001206748194 1033967478 /nfs/dbraw/zinc/96/74/78/1033967478.db2.gz DHKNNABABIUNKI-UHFFFAOYSA-N 2 1 396.535 3.975 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cncc(Br)c2Cl)CC1 ZINC001206760502 1033973979 /nfs/dbraw/zinc/97/39/79/1033973979.db2.gz IMBNHOWNWUNDTR-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001206771728 1033977495 /nfs/dbraw/zinc/97/74/95/1033977495.db2.gz XMCVWRUOECTGNW-FYYLOGMGSA-N 3 1 392.591 3.568 20 0 GHADMP CC1(C)C[C@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@](C)(C[NH3+])C1 ZINC001158264098 1033992998 /nfs/dbraw/zinc/99/29/98/1033992998.db2.gz AVLSSVDYHUIPKS-YADARESESA-N 2 1 393.579 3.991 20 0 GHADMP CC1(C)C[C@H](Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@](C)(C[NH3+])C1 ZINC001158264098 1033993002 /nfs/dbraw/zinc/99/30/02/1033993002.db2.gz AVLSSVDYHUIPKS-YADARESESA-N 2 1 393.579 3.991 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2cnc(Cl)c(F)c2)c1 ZINC001158320187 1034021950 /nfs/dbraw/zinc/02/19/50/1034021950.db2.gz ISFJBJDPPDQZSA-UHFFFAOYSA-N 2 1 386.805 3.586 20 0 GHADMP Cc1ncsc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001206862010 1034041039 /nfs/dbraw/zinc/04/10/39/1034041039.db2.gz BQWWMJGKOQYEQG-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001230458730 1034071263 /nfs/dbraw/zinc/07/12/63/1034071263.db2.gz SAZRMPXKJAKPAU-SFTDATJTSA-N 2 1 392.563 3.580 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001230458730 1034071277 /nfs/dbraw/zinc/07/12/77/1034071277.db2.gz SAZRMPXKJAKPAU-SFTDATJTSA-N 2 1 392.563 3.580 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC001230464951 1034075078 /nfs/dbraw/zinc/07/50/78/1034075078.db2.gz KFWWSNGECKWPIL-PKTZIBPZSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC001230464951 1034075090 /nfs/dbraw/zinc/07/50/90/1034075090.db2.gz KFWWSNGECKWPIL-PKTZIBPZSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)n1nccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001207172699 1034142184 /nfs/dbraw/zinc/14/21/84/1034142184.db2.gz NEKQKNCCCOBVML-QFIPXVFZSA-N 2 1 382.552 3.720 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]21 ZINC001207235840 1034202512 /nfs/dbraw/zinc/20/25/12/1034202512.db2.gz QIJJNVROEVAWNG-QPTUXGOLSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCOCc3ccccc3)C[C@H]21 ZINC001207235840 1034202521 /nfs/dbraw/zinc/20/25/21/1034202521.db2.gz QIJJNVROEVAWNG-QPTUXGOLSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCOCc3ccccc3)C[C@H]21 ZINC001207235840 1034202532 /nfs/dbraw/zinc/20/25/32/1034202532.db2.gz QIJJNVROEVAWNG-QPTUXGOLSA-N 2 1 379.548 3.831 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@H]21 ZINC001207235840 1034202541 /nfs/dbraw/zinc/20/25/41/1034202541.db2.gz QIJJNVROEVAWNG-QPTUXGOLSA-N 2 1 379.548 3.831 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]21 ZINC001207235840 1034202553 /nfs/dbraw/zinc/20/25/53/1034202553.db2.gz QIJJNVROEVAWNG-QPTUXGOLSA-N 2 1 379.548 3.831 20 0 GHADMP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)N2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001158968008 1034361305 /nfs/dbraw/zinc/36/13/05/1034361305.db2.gz ILZSVZFMMYUUHB-JOCHJYFZSA-N 2 1 397.607 3.721 20 0 GHADMP COc1cccc(CCN2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1 ZINC001207427113 1034361388 /nfs/dbraw/zinc/36/13/88/1034361388.db2.gz RIALQCXWKYOOBT-UHFFFAOYSA-N 2 1 383.536 3.973 20 0 GHADMP COc1cccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001207426602 1034361895 /nfs/dbraw/zinc/36/18/95/1034361895.db2.gz GSQOGSZDVBFOEH-ZCYQVOJMSA-N 2 1 398.591 3.698 20 0 GHADMP c1ccc(C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)CC[C@@H]2OCc2ccccn2)cc1 ZINC001207436099 1034368917 /nfs/dbraw/zinc/36/89/17/1034368917.db2.gz WICNJKXGQDQGOA-VWNXMTODSA-N 2 1 379.548 3.531 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001207482377 1034392054 /nfs/dbraw/zinc/39/20/54/1034392054.db2.gz VNRBNSZJADAPDT-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)c1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001207520238 1034422524 /nfs/dbraw/zinc/42/25/24/1034422524.db2.gz AMKXNNKCOLEYAI-JWQCQUIFSA-N 2 1 399.623 3.614 20 0 GHADMP CC(C)c1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001207520238 1034422531 /nfs/dbraw/zinc/42/25/31/1034422531.db2.gz AMKXNNKCOLEYAI-JWQCQUIFSA-N 2 1 399.623 3.614 20 0 GHADMP CC(C)c1ccc(CC[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001207520238 1034422540 /nfs/dbraw/zinc/42/25/40/1034422540.db2.gz AMKXNNKCOLEYAI-JWQCQUIFSA-N 2 1 399.623 3.614 20 0 GHADMP CC[N@H+](C)C1CC[NH+](C[C@@H]2[C@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207825904 1034603533 /nfs/dbraw/zinc/60/35/33/1034603533.db2.gz DBNKIUNUOUMUFL-NVXWUHKLSA-N 2 1 389.531 3.541 20 0 GHADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2[C@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207825904 1034603540 /nfs/dbraw/zinc/60/35/40/1034603540.db2.gz DBNKIUNUOUMUFL-NVXWUHKLSA-N 2 1 389.531 3.541 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC1(c3ccccc3)CC1)CC2 ZINC001207831935 1034609644 /nfs/dbraw/zinc/60/96/44/1034609644.db2.gz HZYSHGXSCGGNQI-QHCPKHFHSA-N 2 1 391.559 3.869 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC3(c4ccccc4)CC3)O2)CC1 ZINC001207832131 1034609804 /nfs/dbraw/zinc/60/98/04/1034609804.db2.gz JYRGBPNPKLDFSW-WXFUMESZSA-N 2 1 398.591 3.699 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1C ZINC001231484463 1034629688 /nfs/dbraw/zinc/62/96/88/1034629688.db2.gz ZKZAGWSRTSQMEE-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1C ZINC001231484463 1034629693 /nfs/dbraw/zinc/62/96/93/1034629693.db2.gz ZKZAGWSRTSQMEE-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1C ZINC001231484463 1034629699 /nfs/dbraw/zinc/62/96/99/1034629699.db2.gz ZKZAGWSRTSQMEE-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP COc1cc(Br)ccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001231511452 1034659848 /nfs/dbraw/zinc/65/98/48/1034659848.db2.gz GCSODEQWMQOACK-UHFFFAOYSA-N 2 1 390.325 3.900 20 0 GHADMP CC(C)=CCCC1=CC[C@H](C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001207938576 1034667985 /nfs/dbraw/zinc/66/79/85/1034667985.db2.gz SNSQOCMASOQGAB-QFIPXVFZSA-N 2 1 387.612 3.945 20 0 GHADMP Cc1ccc(CCC[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)o1 ZINC001207943621 1034672615 /nfs/dbraw/zinc/67/26/15/1034672615.db2.gz IOYAUPKHAZLSJN-OAQYLSRUSA-N 2 1 383.536 3.671 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2F)cc1 ZINC001159845772 1034760184 /nfs/dbraw/zinc/76/01/84/1034760184.db2.gz KZVYAICNIWOYSR-FQEVSTJZSA-N 2 1 399.510 3.988 20 0 GHADMP C[NH+](C)CC1(C[N@@H+]2C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C2)CCCC1 ZINC001208184756 1034781369 /nfs/dbraw/zinc/78/13/69/1034781369.db2.gz FPUYWRGVJCAOAX-MSOLQXFVSA-N 2 1 397.579 3.683 20 0 GHADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+](CC4(C[NH+](C)C)CCCC4)C3)C2=O)c1 ZINC001208187103 1034785642 /nfs/dbraw/zinc/78/56/42/1034785642.db2.gz QLWHYVAEARDVIN-XMMPIXPASA-N 2 1 383.580 3.541 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccc(OC)c2)CCO3)nc1 ZINC001231640665 1034798500 /nfs/dbraw/zinc/79/85/00/1034798500.db2.gz NXWXZPLOYIHBFO-UHFFFAOYSA-N 2 1 395.547 3.520 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccc(OC)c2)CCO3)nc1 ZINC001231640665 1034798511 /nfs/dbraw/zinc/79/85/11/1034798511.db2.gz NXWXZPLOYIHBFO-UHFFFAOYSA-N 2 1 395.547 3.520 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001231653697 1034811347 /nfs/dbraw/zinc/81/13/47/1034811347.db2.gz MGRZSBQNZHPPJJ-UHFFFAOYSA-N 2 1 380.536 3.752 20 0 GHADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1OC(C)=O ZINC001231708485 1034852012 /nfs/dbraw/zinc/85/20/12/1034852012.db2.gz WFBXKCMQBWPBLD-UHFFFAOYSA-N 2 1 396.531 3.965 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001231874997 1034960330 /nfs/dbraw/zinc/96/03/30/1034960330.db2.gz CBBLKJPOTSKTGY-GIWBLDEGSA-N 2 1 381.568 3.775 20 0 GHADMP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001231874997 1034960333 /nfs/dbraw/zinc/96/03/33/1034960333.db2.gz CBBLKJPOTSKTGY-GIWBLDEGSA-N 2 1 381.568 3.775 20 0 GHADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001231874997 1034960335 /nfs/dbraw/zinc/96/03/35/1034960335.db2.gz CBBLKJPOTSKTGY-GIWBLDEGSA-N 2 1 381.568 3.775 20 0 GHADMP CC/C=C\CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001208727868 1034991336 /nfs/dbraw/zinc/99/13/36/1034991336.db2.gz SXWHDZXVAXECAA-YJTVBXBWSA-N 2 1 383.580 3.988 20 0 GHADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001208727868 1034991338 /nfs/dbraw/zinc/99/13/38/1034991338.db2.gz SXWHDZXVAXECAA-YJTVBXBWSA-N 2 1 383.580 3.988 20 0 GHADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001208727868 1034991342 /nfs/dbraw/zinc/99/13/42/1034991342.db2.gz SXWHDZXVAXECAA-YJTVBXBWSA-N 2 1 383.580 3.988 20 0 GHADMP [NH3+]C[C@@]1(Nc2ncnc3cc(-c4ccc(Cl)cc4)sc32)C[NH+]2CCC1CC2 ZINC001160517890 1034993233 /nfs/dbraw/zinc/99/32/33/1034993233.db2.gz DYZOZAVIFGFQNJ-HXUWFJFHSA-N 2 1 399.951 3.847 20 0 GHADMP Fc1ncc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001231991931 1035028185 /nfs/dbraw/zinc/02/81/85/1035028185.db2.gz CKVNQYKZTWAXJB-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN(Cc2cc4c[nH+]ccc4[nH]2)CC3)cs1 ZINC001232011321 1035041493 /nfs/dbraw/zinc/04/14/93/1035041493.db2.gz BDUODQYXEHUDKD-UHFFFAOYSA-N 2 1 381.549 3.958 20 0 GHADMP FC1(F)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@@]12CCN(c1ccccn1)C2 ZINC001232013910 1035043502 /nfs/dbraw/zinc/04/35/02/1035043502.db2.gz VMRVWFVLSIDAPM-HXUWFJFHSA-N 2 1 383.446 3.696 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014436 1035044774 /nfs/dbraw/zinc/04/47/74/1035044774.db2.gz IGCJROOVEXLLAO-FRGLQRNOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+]1CCC(CN2CC[NH+](CCCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC001208836314 1035049514 /nfs/dbraw/zinc/04/95/14/1035049514.db2.gz ZTOXGUNWQOWRLK-UHFFFAOYSA-N 2 1 384.395 3.885 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208865668 1035066641 /nfs/dbraw/zinc/06/66/41/1035066641.db2.gz IVGHOPLYDRGXPF-OYRHEFFESA-N 2 1 398.572 3.921 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208865668 1035066652 /nfs/dbraw/zinc/06/66/52/1035066652.db2.gz IVGHOPLYDRGXPF-OYRHEFFESA-N 2 1 398.572 3.921 20 0 GHADMP CCOC(=O)c1ccc(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208865668 1035066662 /nfs/dbraw/zinc/06/66/62/1035066662.db2.gz IVGHOPLYDRGXPF-OYRHEFFESA-N 2 1 398.572 3.921 20 0 GHADMP CCOC(=O)c1ccc(CCC[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208865668 1035066671 /nfs/dbraw/zinc/06/66/71/1035066671.db2.gz IVGHOPLYDRGXPF-OYRHEFFESA-N 2 1 398.572 3.921 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001461937854 1069902228 /nfs/dbraw/zinc/90/22/28/1069902228.db2.gz KYRWKRGQDSZCSW-VAMGGRTRSA-N 2 1 379.589 3.972 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208936387 1035103292 /nfs/dbraw/zinc/10/32/92/1035103292.db2.gz SCQAGDVHZSSDCG-DHIUTWEWSA-N 2 1 386.580 3.664 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936387 1035103300 /nfs/dbraw/zinc/10/33/00/1035103300.db2.gz SCQAGDVHZSSDCG-DHIUTWEWSA-N 2 1 386.580 3.664 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936700 1035103639 /nfs/dbraw/zinc/10/36/39/1035103639.db2.gz OYKYZXQXQCIZOC-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP C[NH+](CCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936700 1035103643 /nfs/dbraw/zinc/10/36/43/1035103643.db2.gz OYKYZXQXQCIZOC-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP C[NH+](CCCNC(=O)OC(C)(C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936700 1035103648 /nfs/dbraw/zinc/10/36/48/1035103648.db2.gz OYKYZXQXQCIZOC-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939086 1035107909 /nfs/dbraw/zinc/10/79/09/1035107909.db2.gz BPSRZYASTWDXEK-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939086 1035107915 /nfs/dbraw/zinc/10/79/15/1035107915.db2.gz BPSRZYASTWDXEK-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939086 1035107917 /nfs/dbraw/zinc/10/79/17/1035107917.db2.gz BPSRZYASTWDXEK-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939086 1035107924 /nfs/dbraw/zinc/10/79/24/1035107924.db2.gz BPSRZYASTWDXEK-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208940388 1035110193 /nfs/dbraw/zinc/11/01/93/1035110193.db2.gz CEOTUZSNRBAYAE-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940388 1035110197 /nfs/dbraw/zinc/11/01/97/1035110197.db2.gz CEOTUZSNRBAYAE-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940388 1035110199 /nfs/dbraw/zinc/11/01/99/1035110199.db2.gz CEOTUZSNRBAYAE-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208941945 1035111453 /nfs/dbraw/zinc/11/14/53/1035111453.db2.gz NQQFVISVJYIEPX-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208941945 1035111457 /nfs/dbraw/zinc/11/14/57/1035111457.db2.gz NQQFVISVJYIEPX-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208941945 1035111462 /nfs/dbraw/zinc/11/14/62/1035111462.db2.gz NQQFVISVJYIEPX-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208945119 1035116041 /nfs/dbraw/zinc/11/60/41/1035116041.db2.gz YUIVCTSTRYNCPR-ACRUOGEOSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208945119 1035116043 /nfs/dbraw/zinc/11/60/43/1035116043.db2.gz YUIVCTSTRYNCPR-ACRUOGEOSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208945119 1035116045 /nfs/dbraw/zinc/11/60/45/1035116045.db2.gz YUIVCTSTRYNCPR-ACRUOGEOSA-N 2 1 385.552 3.592 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001232143529 1035120665 /nfs/dbraw/zinc/12/06/65/1035120665.db2.gz AKAKITMUGKZACX-IBGZPJMESA-N 2 1 379.520 3.767 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232144306 1035121764 /nfs/dbraw/zinc/12/17/64/1035121764.db2.gz HPQLZDHDTLVTHS-JOCHJYFZSA-N 2 1 391.531 3.720 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c1 ZINC001232145048 1035123223 /nfs/dbraw/zinc/12/32/23/1035123223.db2.gz SSELUTWFTDAVQK-OAQYLSRUSA-N 2 1 379.520 3.767 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)c1 ZINC001232145048 1035123224 /nfs/dbraw/zinc/12/32/24/1035123224.db2.gz SSELUTWFTDAVQK-OAQYLSRUSA-N 2 1 379.520 3.767 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146206 1035124510 /nfs/dbraw/zinc/12/45/10/1035124510.db2.gz LMOQMKSTVDALOW-LJQANCHMSA-N 2 1 379.520 3.719 20 0 GHADMP c1csc(C[NH+]2CC[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124884 /nfs/dbraw/zinc/12/48/84/1035124884.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(C[N@H+]2CC[C@@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124889 /nfs/dbraw/zinc/12/48/89/1035124889.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(C[N@@H+]2CC[C@@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124892 /nfs/dbraw/zinc/12/48/92/1035124892.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124894 /nfs/dbraw/zinc/12/48/94/1035124894.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124897 /nfs/dbraw/zinc/12/48/97/1035124897.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@@H]3C[N@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124902 /nfs/dbraw/zinc/12/49/02/1035124902.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@@H]3C[N@@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@H]32)n1 ZINC001208953139 1035124904 /nfs/dbraw/zinc/12/49/04/1035124904.db2.gz YSIWXDZVESOBBQ-BHDDXSALSA-N 2 1 396.604 3.561 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC001232146643 1035125604 /nfs/dbraw/zinc/12/56/04/1035125604.db2.gz WWXUOQHCNXQCEJ-IBGZPJMESA-N 2 1 379.520 3.767 20 0 GHADMP COc1cc(N2CC[NH+](Cc3cc(F)cc(C[NH+](C)C)c3)CC2)ccc1Cl ZINC001232148709 1035126692 /nfs/dbraw/zinc/12/66/92/1035126692.db2.gz FMCBRGMJDPXGEV-UHFFFAOYSA-N 2 1 391.918 3.872 20 0 GHADMP CC(C)[C@@]1(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CCC[NH2+]C1 ZINC001161056280 1035127057 /nfs/dbraw/zinc/12/70/57/1035127057.db2.gz LAVQRUXMSQESSF-LADGPHEKSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953847 1035128201 /nfs/dbraw/zinc/12/82/01/1035128201.db2.gz RQHOCLLWCWFKMJ-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953847 1035128205 /nfs/dbraw/zinc/12/82/05/1035128205.db2.gz RQHOCLLWCWFKMJ-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208953847 1035128210 /nfs/dbraw/zinc/12/82/10/1035128210.db2.gz RQHOCLLWCWFKMJ-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208953847 1035128214 /nfs/dbraw/zinc/12/82/14/1035128214.db2.gz RQHOCLLWCWFKMJ-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CCN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208956852 1035129306 /nfs/dbraw/zinc/12/93/06/1035129306.db2.gz JCCGOZDHPFSDGR-NXCFDTQHSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208956852 1035129313 /nfs/dbraw/zinc/12/93/13/1035129313.db2.gz JCCGOZDHPFSDGR-NXCFDTQHSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208956852 1035129324 /nfs/dbraw/zinc/12/93/24/1035129324.db2.gz JCCGOZDHPFSDGR-NXCFDTQHSA-N 2 1 389.587 3.962 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001208960803 1035131583 /nfs/dbraw/zinc/13/15/83/1035131583.db2.gz ZHDRUZNJAHSORO-WAGURGNTSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001208960803 1035131590 /nfs/dbraw/zinc/13/15/90/1035131590.db2.gz ZHDRUZNJAHSORO-WAGURGNTSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001208960803 1035131594 /nfs/dbraw/zinc/13/15/94/1035131594.db2.gz ZHDRUZNJAHSORO-WAGURGNTSA-N 2 1 389.609 3.539 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CCOC(=O)c1ccccc1)CC2 ZINC001209043466 1035155729 /nfs/dbraw/zinc/15/57/29/1035155729.db2.gz RHSWDFWIFATWAU-UHFFFAOYSA-N 2 1 393.531 3.615 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCC5(CC4)OCCO5)CC[C@@H]3C2)cc1 ZINC001209104661 1035175132 /nfs/dbraw/zinc/17/51/32/1035175132.db2.gz DWMDDUYUKCLPDL-DHIUTWEWSA-N 2 1 384.564 3.764 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@@H]3C2)cc1 ZINC001209104661 1035175137 /nfs/dbraw/zinc/17/51/37/1035175137.db2.gz DWMDDUYUKCLPDL-DHIUTWEWSA-N 2 1 384.564 3.764 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@@H]3C2)cc1 ZINC001209104661 1035175141 /nfs/dbraw/zinc/17/51/41/1035175141.db2.gz DWMDDUYUKCLPDL-DHIUTWEWSA-N 2 1 384.564 3.764 20 0 GHADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)C[C@@H]([NH3+])Cc2csc3ccccc23)C1 ZINC001161386899 1035220086 /nfs/dbraw/zinc/22/00/86/1035220086.db2.gz MWVVKLRGMJZAQB-ZWKOTPCHSA-N 2 1 395.528 3.545 20 0 GHADMP CC(C)n1nc(CN(C)C)c2c1C[N@@H+](CCCCOCc1ccccc1)CC2 ZINC001209254705 1035223513 /nfs/dbraw/zinc/22/35/13/1035223513.db2.gz VAUSBUJEZXETPJ-UHFFFAOYSA-N 2 1 384.568 3.881 20 0 GHADMP Cn1ccc(C[N@@H+]2CCCC23CC[NH+](CCCCOCc2ccccc2)CC3)n1 ZINC001209259308 1035225463 /nfs/dbraw/zinc/22/54/63/1035225463.db2.gz SZMHGEVQTFLJCX-UHFFFAOYSA-N 2 1 396.579 3.848 20 0 GHADMP Cn1ccc(C[N@H+]2CCCC23CC[NH+](CCCCOCc2ccccc2)CC3)n1 ZINC001209259308 1035225468 /nfs/dbraw/zinc/22/54/68/1035225468.db2.gz SZMHGEVQTFLJCX-UHFFFAOYSA-N 2 1 396.579 3.848 20 0 GHADMP O=C(NC1CC[NH+](CCC[NH+]2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001209453740 1035277803 /nfs/dbraw/zinc/27/78/03/1035277803.db2.gz LQHVVLNWGHQXPK-UHFFFAOYSA-N 2 1 397.485 3.776 20 0 GHADMP Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001209492324 1035291806 /nfs/dbraw/zinc/29/18/06/1035291806.db2.gz IJQANBZUXHVLIM-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2[nH]cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001209492324 1035291807 /nfs/dbraw/zinc/29/18/07/1035291807.db2.gz IJQANBZUXHVLIM-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2[nH]cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001209492324 1035291808 /nfs/dbraw/zinc/29/18/08/1035291808.db2.gz IJQANBZUXHVLIM-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1sc2nc(-c3cccs3)nc(NCC[NH+]3CCC([NH3+])CC3)c2c1C ZINC001161871132 1035318568 /nfs/dbraw/zinc/31/85/68/1035318568.db2.gz SGLUMZAOPRVGER-UHFFFAOYSA-N 2 1 387.578 3.872 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)c(F)c2F)no1 ZINC001248195465 1035624500 /nfs/dbraw/zinc/62/45/00/1035624500.db2.gz YUSIDBGLSMHBAM-NSHDSACASA-N 2 1 389.244 3.509 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCC[C@H]1C=CCC1 ZINC001248386016 1035797397 /nfs/dbraw/zinc/79/73/97/1035797397.db2.gz BAQZRTUPFBPZAR-FQEVSTJZSA-N 2 1 390.616 3.571 20 0 GHADMP C[NH+]1CCN(c2cccc(-c3noc([C@@H]([NH3+])CCCc4ccccc4)n3)c2)CC1 ZINC001248448082 1035868976 /nfs/dbraw/zinc/86/89/76/1035868976.db2.gz NAABHMPWINMCBN-NRFANRHFSA-N 2 1 391.519 3.511 20 0 GHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]([NH3+])CCCc3ccccc3)n2)CC1 ZINC001248452173 1035873801 /nfs/dbraw/zinc/87/38/01/1035873801.db2.gz AGQIRJCWFHMWML-FQEVSTJZSA-N 2 1 391.519 3.511 20 0 GHADMP Cc1ccc2c(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)cccc2n1 ZINC001248560256 1035957338 /nfs/dbraw/zinc/95/73/38/1035957338.db2.gz MUVQWIFJIRGADU-UHFFFAOYSA-N 2 1 389.547 3.907 20 0 GHADMP Cc1ccc2c(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)cccc2n1 ZINC001248560256 1035957343 /nfs/dbraw/zinc/95/73/43/1035957343.db2.gz MUVQWIFJIRGADU-UHFFFAOYSA-N 2 1 389.547 3.907 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC001278360363 1036085433 /nfs/dbraw/zinc/08/54/33/1036085433.db2.gz RIDTYYPGKWVQEU-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)C2 ZINC001278360363 1036085459 /nfs/dbraw/zinc/08/54/59/1036085459.db2.gz RIDTYYPGKWVQEU-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP COc1nccc(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001248793387 1036158642 /nfs/dbraw/zinc/15/86/42/1036158642.db2.gz AZJRMZRYIHBDAP-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1nccc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001248793387 1036158654 /nfs/dbraw/zinc/15/86/54/1036158654.db2.gz AZJRMZRYIHBDAP-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1nccc(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001248793626 1036159622 /nfs/dbraw/zinc/15/96/22/1036159622.db2.gz KEWVNFGWMDQYIC-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COc1nccc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001248793626 1036159630 /nfs/dbraw/zinc/15/96/30/1036159630.db2.gz KEWVNFGWMDQYIC-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP C[NH+](C)CCOc1cccc(-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001243752782 1036268473 /nfs/dbraw/zinc/26/84/73/1036268473.db2.gz VWURESXUUIYCCQ-UHFFFAOYSA-N 2 1 388.515 3.642 20 0 GHADMP C[NH+](C)CCOc1cccc(-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001243752941 1036268856 /nfs/dbraw/zinc/26/88/56/1036268856.db2.gz XCKKAILUGAGMBA-UHFFFAOYSA-N 2 1 388.515 3.642 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1(C)C ZINC001462148053 1070034199 /nfs/dbraw/zinc/03/41/99/1070034199.db2.gz MUXPVXJITZETJN-APWZRJJASA-N 2 1 383.502 3.746 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001245998145 1037119095 /nfs/dbraw/zinc/11/90/95/1037119095.db2.gz LRJNPOHPNUWAHF-WIYYLYMNSA-N 2 1 380.548 3.588 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246044496 1037157094 /nfs/dbraw/zinc/15/70/94/1037157094.db2.gz GNURSDALBLXUPK-RBBKRZOGSA-N 2 1 388.596 3.717 20 0 GHADMP O[C@H](C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246049872 1037162636 /nfs/dbraw/zinc/16/26/36/1037162636.db2.gz CMUMTXXGDYVJOR-OAQYLSRUSA-N 2 1 378.438 3.639 20 0 GHADMP COc1ccc(OC[C@@H](O)C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246067146 1037179579 /nfs/dbraw/zinc/17/95/79/1037179579.db2.gz MZHQVPVPCCHOIJ-ACRUOGEOSA-N 2 1 390.568 3.587 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123891 1037205128 /nfs/dbraw/zinc/20/51/28/1037205128.db2.gz VHKKWVJMLDSLKS-REWPJTCUSA-N 3 1 395.566 3.848 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CC[NH2+]2)cc1 ZINC001246177120 1037224309 /nfs/dbraw/zinc/22/43/09/1037224309.db2.gz ZAXSWTGLTYNZEL-LFEPYJTBSA-N 2 1 389.587 3.850 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)CC[NH2+]2)cc1 ZINC001246177120 1037224319 /nfs/dbraw/zinc/22/43/19/1037224319.db2.gz ZAXSWTGLTYNZEL-LFEPYJTBSA-N 3 1 389.587 3.850 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CC[NH2+]2)cc1 ZINC001246177120 1037224326 /nfs/dbraw/zinc/22/43/26/1037224326.db2.gz ZAXSWTGLTYNZEL-LFEPYJTBSA-N 3 1 389.587 3.850 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC001246184468 1037226026 /nfs/dbraw/zinc/22/60/26/1037226026.db2.gz SEUUBHYPGODPNC-FGZHOGPDSA-N 3 1 385.596 3.568 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)CCN1Cc1ccccc1 ZINC001246184468 1037226047 /nfs/dbraw/zinc/22/60/47/1037226047.db2.gz SEUUBHYPGODPNC-FGZHOGPDSA-N 2 1 385.596 3.568 20 0 GHADMP Brc1ccc(C2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246186176 1037228190 /nfs/dbraw/zinc/22/81/90/1037228190.db2.gz XGSCRFXMTHNZKI-MOPGFXCFSA-N 2 1 392.385 3.540 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1 ZINC001246190703 1037229268 /nfs/dbraw/zinc/22/92/68/1037229268.db2.gz MFJSVPNIQRQSPO-IFMALSPDSA-N 2 1 384.495 3.823 20 0 GHADMP CCOC(=O)C1=C(NC2C[C@H](CC)[NH2+][C@@H](CC)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246291433 1037281406 /nfs/dbraw/zinc/28/14/06/1037281406.db2.gz LPANNUMMJKSZPE-PMACEKPBSA-N 2 1 399.579 3.608 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CCN1 ZINC001246324772 1037296127 /nfs/dbraw/zinc/29/61/27/1037296127.db2.gz HFPBAJGOYSATBI-LSTHTHJFSA-N 2 1 387.886 3.734 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246332168 1037300170 /nfs/dbraw/zinc/30/01/70/1037300170.db2.gz FAWVPIHBLNKLEX-OVKIHRCZSA-N 3 1 387.571 3.875 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246337223 1037301868 /nfs/dbraw/zinc/30/18/68/1037301868.db2.gz SJMCRWUUDSYDFL-KMULZWECSA-N 3 1 387.571 3.875 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246360560 1037319824 /nfs/dbraw/zinc/31/98/24/1037319824.db2.gz KEYUBPKGXOGPAT-IBGZPJMESA-N 2 1 394.401 3.781 20 0 GHADMP COc1ccc(CC2(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246374597 1037330440 /nfs/dbraw/zinc/33/04/40/1037330440.db2.gz FQDQDFPHDSYIEX-OFNKIYASSA-N 2 1 393.575 3.613 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1cccc(Br)c1 ZINC001246376158 1037332878 /nfs/dbraw/zinc/33/28/78/1037332878.db2.gz MNPKECITXILNMC-GVDBMIGSSA-N 2 1 397.357 3.810 20 0 GHADMP Fc1cccc([C@H](N[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246403581 1037359962 /nfs/dbraw/zinc/35/99/62/1037359962.db2.gz HJNNUJZLJKMGRR-WXFUMESZSA-N 2 1 381.539 3.819 20 0 GHADMP C[NH2+]CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC001246417992 1037372300 /nfs/dbraw/zinc/37/23/00/1037372300.db2.gz PXQJJANSTABZEV-JPYJTQIMSA-N 2 1 375.516 3.977 20 0 GHADMP CCN1CCC([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246427125 1037385311 /nfs/dbraw/zinc/38/53/11/1037385311.db2.gz BSVBMLAJWBLVFB-UHFFFAOYSA-N 2 1 383.502 3.692 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246430572 1037392132 /nfs/dbraw/zinc/39/21/32/1037392132.db2.gz NISOOJQZVSQTRO-WMLDXEAASA-N 2 1 384.442 3.606 20 0 GHADMP Fc1ccccc1C1([NH2+][C@@H]2Cc3ccc(Br)cc3C2)CC[NH2+]CC1 ZINC001246435332 1037398178 /nfs/dbraw/zinc/39/81/78/1037398178.db2.gz HHAVORUEXFBVFJ-QGZVFWFLSA-N 2 1 389.312 3.924 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246441570 1037404272 /nfs/dbraw/zinc/40/42/72/1037404272.db2.gz JCKRQVGUIOWDDU-QZHFEQFPSA-N 3 1 380.374 3.662 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246452750 1037414374 /nfs/dbraw/zinc/41/43/74/1037414374.db2.gz STTWBWVCGHXXNP-GJZGRUSLSA-N 2 1 384.442 3.606 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC[NH2+]1 ZINC001246494701 1037438756 /nfs/dbraw/zinc/43/87/56/1037438756.db2.gz YTQVMUSHKLKCRU-UFYCRDLUSA-N 2 1 391.625 3.700 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)C[C@H](CC)[NH2+]1 ZINC001246496117 1037441736 /nfs/dbraw/zinc/44/17/36/1037441736.db2.gz CRVNXTIMYCXZAP-MHORFTMASA-N 2 1 397.357 3.952 20 0 GHADMP CC1(C)C[C@@H](N2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246598864 1037495287 /nfs/dbraw/zinc/49/52/87/1037495287.db2.gz IZCHZQJQEKRDOR-ZEQRLZLVSA-N 2 1 377.576 3.946 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001246604320 1037498725 /nfs/dbraw/zinc/49/87/25/1037498725.db2.gz KWQZWDGBBSXPMF-NJEKYYFSSA-N 2 1 390.955 3.769 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2C2Cc3ccccc3C2)cc1 ZINC001246617855 1037509627 /nfs/dbraw/zinc/50/96/27/1037509627.db2.gz HFGOFEXBRYAOTJ-HSZRJFAPSA-N 2 1 376.544 3.957 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](N3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625740 1037515024 /nfs/dbraw/zinc/51/50/24/1037515024.db2.gz SQLUISSXJBHVTO-ZEQRLZLVSA-N 2 1 375.560 3.730 20 0 GHADMP O=C(C[C@H]1CC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc21)NCC1CC1 ZINC001246656736 1037531851 /nfs/dbraw/zinc/53/18/51/1037531851.db2.gz DPNSLHSSEBCEKA-LEWJYISDSA-N 2 1 395.591 3.566 20 0 GHADMP COc1cccc2c1CC[C@H]([N@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)C2 ZINC001246674485 1037539998 /nfs/dbraw/zinc/53/99/98/1037539998.db2.gz UIGURAWIZPPZPR-SLSDLSHTSA-N 2 1 376.544 3.806 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001246674413 1037540647 /nfs/dbraw/zinc/54/06/47/1037540647.db2.gz SWQXYHLMRXPFPJ-JLMDMGSGSA-N 2 1 384.564 3.651 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)C2 ZINC001246688403 1037548639 /nfs/dbraw/zinc/54/86/39/1037548639.db2.gz ZFNSIFVJVSPFLA-BDTNDASRSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)C2 ZINC001246688403 1037548645 /nfs/dbraw/zinc/54/86/45/1037548645.db2.gz ZFNSIFVJVSPFLA-BDTNDASRSA-N 2 1 397.360 3.995 20 0 GHADMP C[C@H]1C[C@H](N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001246688418 1037550732 /nfs/dbraw/zinc/55/07/32/1037550732.db2.gz ZKVTXVQHSDLGFG-OXCBMLQPSA-N 2 1 375.560 3.729 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)C[C@H](CC)[NH2+]1 ZINC001246694870 1037553075 /nfs/dbraw/zinc/55/30/75/1037553075.db2.gz NWXFTWAOAVGMNT-ACDBMABISA-N 2 1 382.527 3.993 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3cc(C(=O)OC)c(-c4ccsc4)nc3CC2)CC[NH2+]1 ZINC001246705077 1037558458 /nfs/dbraw/zinc/55/84/58/1037558458.db2.gz WFJOFRGIMGJZIB-MSOLQXFVSA-N 2 1 399.560 3.528 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN([C@H]2CC[NH2+][C@H](C(C)C)C2)CC3)c1 ZINC001246740675 1037583011 /nfs/dbraw/zinc/58/30/11/1037583011.db2.gz NSBDMEMUOYYSAQ-GMAHTHKFSA-N 2 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2CC[NH2+][C@H](C(C)C)C2)CC3)c1 ZINC001246740675 1037583028 /nfs/dbraw/zinc/58/30/28/1037583028.db2.gz NSBDMEMUOYYSAQ-GMAHTHKFSA-N 3 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CC[NH2+][C@H](C(C)C)C2)CC3)c1 ZINC001246740675 1037583034 /nfs/dbraw/zinc/58/30/34/1037583034.db2.gz NSBDMEMUOYYSAQ-GMAHTHKFSA-N 3 1 385.596 3.760 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)O1 ZINC001246744794 1037584647 /nfs/dbraw/zinc/58/46/47/1037584647.db2.gz LHKVUSXCLFQTBK-ODTAKUCXSA-N 2 1 386.580 3.644 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246745391 1037585096 /nfs/dbraw/zinc/58/50/96/1037585096.db2.gz LJVYVXVQVIQQQG-NOHMWWQBSA-N 2 1 393.506 3.522 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246745391 1037585110 /nfs/dbraw/zinc/58/51/10/1037585110.db2.gz LJVYVXVQVIQQQG-NOHMWWQBSA-N 2 1 393.506 3.522 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2CCC4(CC[NH2+]C4)CC2)CC3)c1 ZINC001246744000 1037585652 /nfs/dbraw/zinc/58/56/52/1037585652.db2.gz XTUIVDOWZXJSID-UHFFFAOYSA-N 3 1 397.607 3.905 20 0 GHADMP c1ccc([C@H]2C[C@@H]([N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246757974 1037598654 /nfs/dbraw/zinc/59/86/54/1037598654.db2.gz NHCSKOWCMKESOE-UEQSERJNSA-N 2 1 384.564 3.635 20 0 GHADMP c1ccc([C@H]2C[C@@H]([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246757974 1037598667 /nfs/dbraw/zinc/59/86/67/1037598667.db2.gz NHCSKOWCMKESOE-UEQSERJNSA-N 2 1 384.564 3.635 20 0 GHADMP O=C(C[C@@H]1CC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc21)NC1CCC1 ZINC001246759140 1037601000 /nfs/dbraw/zinc/60/10/00/1037601000.db2.gz YAKKMYFOTPOKNB-CTNGQTDRSA-N 2 1 395.591 3.708 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)c1 ZINC001246783309 1037623970 /nfs/dbraw/zinc/62/39/70/1037623970.db2.gz SYTKREQRQKCVHX-PQNGQFLHSA-N 2 1 380.532 3.902 20 0 GHADMP COC(=O)c1ccc(OC2CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)cc1 ZINC001246789530 1037628441 /nfs/dbraw/zinc/62/84/41/1037628441.db2.gz VGTYKUNSCLXCAG-NFBKMPQASA-N 2 1 394.515 3.810 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246812478 1037642499 /nfs/dbraw/zinc/64/24/99/1037642499.db2.gz UQMILHDMSRFUGC-RUZDIDTESA-N 2 1 393.575 3.699 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246810958 1037645248 /nfs/dbraw/zinc/64/52/48/1037645248.db2.gz BZPYMFBEGOVAQI-LJDSDSDDSA-N 2 1 377.617 3.949 20 0 GHADMP CC[C@H]1C[C@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]1 ZINC001246826082 1037657620 /nfs/dbraw/zinc/65/76/20/1037657620.db2.gz VYKLTVVJVNSCKQ-JKSUJKDBSA-N 2 1 378.973 3.992 20 0 GHADMP c1ccc(C(OCC[N@H+]2CCCN([C@@H]3CCC[NH2+]C3)CC2)c2ccccc2)cc1 ZINC001246831419 1037663178 /nfs/dbraw/zinc/66/31/78/1037663178.db2.gz DLCSVRKMDJFOID-XMMPIXPASA-N 2 1 393.575 3.552 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)CC[NH2+]1 ZINC001246832137 1037663576 /nfs/dbraw/zinc/66/35/76/1037663576.db2.gz ANBHJXLTKRMGEX-GXRSIYKFSA-N 2 1 385.552 3.783 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@H](C)CC(c2ccccc2)c2ccccc2)CC1 ZINC001246867169 1037686468 /nfs/dbraw/zinc/68/64/68/1037686468.db2.gz GRBXPCLXEOEMMZ-WZONZLPQSA-N 2 1 380.532 3.809 20 0 GHADMP C[C@H](Cc1ccccc1Br)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246872203 1037689271 /nfs/dbraw/zinc/68/92/71/1037689271.db2.gz GECCCEBJIJSHES-BSIFCXSSSA-N 2 1 385.349 3.853 20 0 GHADMP C[C@H](Cc1ccccc1Br)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246872203 1037689282 /nfs/dbraw/zinc/68/92/82/1037689282.db2.gz GECCCEBJIJSHES-BSIFCXSSSA-N 2 1 385.349 3.853 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246875970 1037689301 /nfs/dbraw/zinc/68/93/01/1037689301.db2.gz KJQCLWIUQTWBMC-NJDAHSKKSA-N 2 1 380.532 3.639 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001246915895 1037724213 /nfs/dbraw/zinc/72/42/13/1037724213.db2.gz ZDZUAXZIKLHELC-QPXUXIHVSA-N 2 1 392.543 3.976 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001246915895 1037724237 /nfs/dbraw/zinc/72/42/37/1037724237.db2.gz ZDZUAXZIKLHELC-QPXUXIHVSA-N 2 1 392.543 3.976 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CCN1 ZINC001246949592 1037753954 /nfs/dbraw/zinc/75/39/54/1037753954.db2.gz AQMDXECQWSXPJN-RDJZCZTQSA-N 2 1 375.866 3.577 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CCN1 ZINC001246949592 1037753970 /nfs/dbraw/zinc/75/39/70/1037753970.db2.gz AQMDXECQWSXPJN-RDJZCZTQSA-N 2 1 375.866 3.577 20 0 GHADMP COc1cccc2c1C[C@@H]([N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1)CO2 ZINC001246952540 1037755661 /nfs/dbraw/zinc/75/56/61/1037755661.db2.gz VIISZXZQHQCDCY-HXUWFJFHSA-N 2 1 384.495 3.700 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1)CO2 ZINC001246952540 1037755677 /nfs/dbraw/zinc/75/56/77/1037755677.db2.gz VIISZXZQHQCDCY-HXUWFJFHSA-N 2 1 384.495 3.700 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246951575 1037755861 /nfs/dbraw/zinc/75/58/61/1037755861.db2.gz LZFVJMACMWPOOK-AZUAARDMSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001246956663 1037769477 /nfs/dbraw/zinc/76/94/77/1037769477.db2.gz ZMTMMXUVBKRJRL-SFHVURJKSA-N 2 1 396.531 3.667 20 0 GHADMP Fc1cc(C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001246966702 1037790593 /nfs/dbraw/zinc/79/05/93/1037790593.db2.gz ZNHLIYGDFZDMGB-INIZCTEOSA-N 3 1 385.449 3.541 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C[C@H](C)[NH2+]1 ZINC001246983791 1037808998 /nfs/dbraw/zinc/80/89/98/1037808998.db2.gz JGIOHJAWWQTJLJ-JHDGKUDLSA-N 2 1 379.548 3.917 20 0 GHADMP Clc1ccnc2[nH]cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c21 ZINC001232456151 1038242087 /nfs/dbraw/zinc/24/20/87/1038242087.db2.gz AWGLXBZIEZYJKZ-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccnc2[nH]cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c21 ZINC001232456151 1038242095 /nfs/dbraw/zinc/24/20/95/1038242095.db2.gz AWGLXBZIEZYJKZ-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccnc2[nH]cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c21 ZINC001232456151 1038242102 /nfs/dbraw/zinc/24/21/02/1038242102.db2.gz AWGLXBZIEZYJKZ-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccnc2[nH]cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c21 ZINC001232456151 1038242109 /nfs/dbraw/zinc/24/21/09/1038242109.db2.gz AWGLXBZIEZYJKZ-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4nccnc34)C[C@H]21 ZINC001232544684 1038312240 /nfs/dbraw/zinc/31/22/40/1038312240.db2.gz BJSAVMGGIGVFHD-KFKAGJAMSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4nccnc34)C[C@H]21 ZINC001232544684 1038312255 /nfs/dbraw/zinc/31/22/55/1038312255.db2.gz BJSAVMGGIGVFHD-KFKAGJAMSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4nccnc34)C[C@H]21 ZINC001232544684 1038312267 /nfs/dbraw/zinc/31/22/67/1038312267.db2.gz BJSAVMGGIGVFHD-KFKAGJAMSA-N 2 1 381.549 3.704 20 0 GHADMP CSc1ccc(Cl)cc1C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277688885 1038394091 /nfs/dbraw/zinc/39/40/91/1038394091.db2.gz OYACCNUOEGRNOA-HXUWFJFHSA-N 2 1 396.000 3.581 20 0 GHADMP Cc1c(F)ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1Cl ZINC001247904914 1038476311 /nfs/dbraw/zinc/47/63/11/1038476311.db2.gz CFBLHAXXAORVJH-CYBMUJFWSA-N 2 1 378.879 3.769 20 0 GHADMP CCCCOc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247905146 1038476400 /nfs/dbraw/zinc/47/64/00/1038476400.db2.gz LEVNLAKDVKCRNW-GOSISDBHSA-N 2 1 384.524 3.847 20 0 GHADMP FC(F)(F)c1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247905714 1038477234 /nfs/dbraw/zinc/47/72/34/1038477234.db2.gz KVRVHRLEIMZLMJ-CQSZACIVSA-N 2 1 380.414 3.687 20 0 GHADMP Clc1ccnc2cccc(-c3noc(C4CC[NH+](C5CC[NH2+]CC5)CC4)n3)c12 ZINC001247908699 1038482045 /nfs/dbraw/zinc/48/20/45/1038482045.db2.gz AULSJYZMBIMNGS-UHFFFAOYSA-N 2 1 397.910 3.870 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)c[nH]c21 ZINC001232709911 1038509175 /nfs/dbraw/zinc/50/91/75/1038509175.db2.gz IKMFGGPVMYVEMB-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cccc2c(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)c[nH]c21 ZINC001232709911 1038509181 /nfs/dbraw/zinc/50/91/81/1038509181.db2.gz IKMFGGPVMYVEMB-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cccc2c(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH]c21 ZINC001232709911 1038509189 /nfs/dbraw/zinc/50/91/89/1038509189.db2.gz IKMFGGPVMYVEMB-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP C[N@H+](Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2)CC1CC[NH+](C)CC1 ZINC001232766328 1038542605 /nfs/dbraw/zinc/54/26/05/1038542605.db2.gz CAEPGONJUDTVPS-UHFFFAOYSA-N 2 1 393.597 3.815 20 0 GHADMP c1csc(C[NH+]2CCC3(CC2)CC[NH+](Cc2nc4ccccn4n2)CC3)c1 ZINC001233069472 1038834633 /nfs/dbraw/zinc/83/46/33/1038834633.db2.gz IUPCPWIFWXEAQJ-UHFFFAOYSA-N 2 1 381.549 3.669 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001233096514 1038868043 /nfs/dbraw/zinc/86/80/43/1038868043.db2.gz DSRDWYFNUGTNEU-UHFFFAOYSA-N 2 1 375.900 3.526 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cnc1C ZINC001233158966 1038932591 /nfs/dbraw/zinc/93/25/91/1038932591.db2.gz PHFZDXUIGMMQHA-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cnc1C ZINC001233158966 1038932594 /nfs/dbraw/zinc/93/25/94/1038932594.db2.gz PHFZDXUIGMMQHA-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cnc1C ZINC001233158966 1038932597 /nfs/dbraw/zinc/93/25/97/1038932597.db2.gz PHFZDXUIGMMQHA-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cnc1C ZINC001233158966 1038932599 /nfs/dbraw/zinc/93/25/99/1038932599.db2.gz PHFZDXUIGMMQHA-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP COc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253573 1039016289 /nfs/dbraw/zinc/01/62/89/1039016289.db2.gz HQKOQZBIWWTOLN-XMMPIXPASA-N 2 1 396.531 3.810 20 0 GHADMP CCC(CC)[N@@H+](C[C@H](O)COC(C)C)C1CCN(Cc2ccccc2)CC1 ZINC001252676161 1039076355 /nfs/dbraw/zinc/07/63/55/1039076355.db2.gz RQVSXDLAVGTVFW-QHCPKHFHSA-N 2 1 376.585 3.928 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3nccn31)CC2 ZINC001233362182 1039189577 /nfs/dbraw/zinc/18/95/77/1039189577.db2.gz RGCRUEPTSRBUKB-IBGZPJMESA-N 2 1 396.560 3.651 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253300546 1039546566 /nfs/dbraw/zinc/54/65/66/1039546566.db2.gz YQSIWYNVWFOQJA-BJKOFHAPSA-N 2 1 396.575 3.845 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253300546 1039546587 /nfs/dbraw/zinc/54/65/87/1039546587.db2.gz YQSIWYNVWFOQJA-BJKOFHAPSA-N 2 1 396.575 3.845 20 0 GHADMP CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)c(OC)c3)C2)n1 ZINC001234075283 1039812249 /nfs/dbraw/zinc/81/22/49/1039812249.db2.gz IELKNFZERHCFBW-QGZVFWFLSA-N 2 1 381.480 3.596 20 0 GHADMP CN(c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1)c1ccccc1F ZINC001234242695 1039936459 /nfs/dbraw/zinc/93/64/59/1039936459.db2.gz YKHIRVUGGBIYLC-UHFFFAOYSA-N 2 1 396.554 3.807 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC001254033819 1039966695 /nfs/dbraw/zinc/96/66/95/1039966695.db2.gz AAYFCNQTGSVQCI-FGZHOGPDSA-N 2 1 388.600 3.750 20 0 GHADMP C[N@H+](Cc1nc2ccccc2s1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254035817 1039967215 /nfs/dbraw/zinc/96/72/15/1039967215.db2.gz KTMQFYWVPNLYAA-UHFFFAOYSA-N 2 1 381.545 3.755 20 0 GHADMP C[N@@H+](Cc1nc2ccccc2s1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254035817 1039967219 /nfs/dbraw/zinc/96/72/19/1039967219.db2.gz KTMQFYWVPNLYAA-UHFFFAOYSA-N 2 1 381.545 3.755 20 0 GHADMP COc1cccc([C@@H]2CC[N@@H+](CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001254039701 1039970374 /nfs/dbraw/zinc/97/03/74/1039970374.db2.gz AYFCRTLRNOUTRR-JOCHJYFZSA-N 2 1 380.532 3.512 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234396376 1040001161 /nfs/dbraw/zinc/00/11/61/1040001161.db2.gz KCYGSUYDQQTXOC-FGZHOGPDSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@H](CCc1ccccc1)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001254493370 1040278535 /nfs/dbraw/zinc/27/85/35/1040278535.db2.gz LBWJARUQSVGZRT-FGZHOGPDSA-N 2 1 396.579 3.939 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)CC1 ZINC001254518901 1040294124 /nfs/dbraw/zinc/29/41/24/1040294124.db2.gz PYUSWKICLNHUSW-TZIWHRDSSA-N 2 1 395.591 3.661 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521576 1040295189 /nfs/dbraw/zinc/29/51/89/1040295189.db2.gz VNWVEGDOUALTSJ-WOJBJXKFSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521576 1040295199 /nfs/dbraw/zinc/29/51/99/1040295199.db2.gz VNWVEGDOUALTSJ-WOJBJXKFSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521576 1040295212 /nfs/dbraw/zinc/29/52/12/1040295212.db2.gz VNWVEGDOUALTSJ-WOJBJXKFSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001254528930 1040300136 /nfs/dbraw/zinc/30/01/36/1040300136.db2.gz ANKUUOIFDLWKAZ-QFIPXVFZSA-N 3 1 385.596 3.616 20 0 GHADMP CN1CCC[C@H]([NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001254528930 1040300159 /nfs/dbraw/zinc/30/01/59/1040300159.db2.gz ANKUUOIFDLWKAZ-QFIPXVFZSA-N 2 1 385.596 3.616 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001462461109 1070270111 /nfs/dbraw/zinc/27/01/11/1070270111.db2.gz NKJJEJAIZCLVFI-XMSQKQJNSA-N 2 1 383.536 3.924 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001462461109 1070270130 /nfs/dbraw/zinc/27/01/30/1070270130.db2.gz NKJJEJAIZCLVFI-XMSQKQJNSA-N 2 1 383.536 3.924 20 0 GHADMP CCCCN(c1ccccc1)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234988776 1040485536 /nfs/dbraw/zinc/48/55/36/1040485536.db2.gz JZKFIYZXCQFLEX-XMMPIXPASA-N 2 1 378.564 3.762 20 0 GHADMP COCCOCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(Cl)ccc12 ZINC001278808197 1040497403 /nfs/dbraw/zinc/49/74/03/1040497403.db2.gz MBHRYXRLCMJFBR-AYHJJNSGSA-N 2 1 377.916 3.527 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(Cl)ccc12 ZINC001278808197 1040497423 /nfs/dbraw/zinc/49/74/23/1040497423.db2.gz MBHRYXRLCMJFBR-AYHJJNSGSA-N 2 1 377.916 3.527 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001254757769 1040518426 /nfs/dbraw/zinc/51/84/26/1040518426.db2.gz CJHIAAIRRXCRAX-NHCUHLMSSA-N 2 1 399.579 3.888 20 0 GHADMP FC(F)Oc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1OC(F)F ZINC001235047296 1040539426 /nfs/dbraw/zinc/53/94/26/1040539426.db2.gz UZOGIPGMGDFKIK-SFHVURJKSA-N 2 1 376.394 3.998 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)cc1OC(F)F ZINC001235047296 1040539451 /nfs/dbraw/zinc/53/94/51/1040539451.db2.gz UZOGIPGMGDFKIK-SFHVURJKSA-N 2 1 376.394 3.998 20 0 GHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnc(N3CCSCC3)c2)CC1 ZINC001462474478 1070283035 /nfs/dbraw/zinc/28/30/35/1070283035.db2.gz DVQKUTVUJHKBED-RXVVDRJESA-N 2 1 388.625 3.768 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001254879489 1040629262 /nfs/dbraw/zinc/62/92/62/1040629262.db2.gz KZEHIUCKQVGKTD-UDJZJCJKSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001254879489 1040629274 /nfs/dbraw/zinc/62/92/74/1040629274.db2.gz KZEHIUCKQVGKTD-UDJZJCJKSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001254879489 1040629287 /nfs/dbraw/zinc/62/92/87/1040629287.db2.gz KZEHIUCKQVGKTD-UDJZJCJKSA-N 2 1 377.573 3.584 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001235134609 1040631043 /nfs/dbraw/zinc/63/10/43/1040631043.db2.gz SZQFOAKKPSFREH-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001235134609 1040631062 /nfs/dbraw/zinc/63/10/62/1040631062.db2.gz SZQFOAKKPSFREH-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001235134609 1040631070 /nfs/dbraw/zinc/63/10/70/1040631070.db2.gz SZQFOAKKPSFREH-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001235134609 1040631079 /nfs/dbraw/zinc/63/10/79/1040631079.db2.gz SZQFOAKKPSFREH-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP COc1c(Br)cc(F)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235159900 1040653995 /nfs/dbraw/zinc/65/39/95/1040653995.db2.gz YKBBNNWKIZHFCX-QGZVFWFLSA-N 2 1 385.321 3.951 20 0 GHADMP Brc1ccc2c(c1C[NH+]1CCC([C@@H]3CCCC[NH2+]3)CC1)OCO2 ZINC001235239622 1040720851 /nfs/dbraw/zinc/72/08/51/1040720851.db2.gz KUVNARMCEAUTQY-INIZCTEOSA-N 2 1 381.314 3.532 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001255007669 1040725560 /nfs/dbraw/zinc/72/55/60/1040725560.db2.gz ZVHKEKVBIFDHMH-GKFAFHNOSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001255007669 1040725569 /nfs/dbraw/zinc/72/55/69/1040725569.db2.gz ZVHKEKVBIFDHMH-GKFAFHNOSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001255007669 1040725576 /nfs/dbraw/zinc/72/55/76/1040725576.db2.gz ZVHKEKVBIFDHMH-GKFAFHNOSA-N 2 1 397.607 3.757 20 0 GHADMP [NH3+][C@H]1CCN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068798 1040762682 /nfs/dbraw/zinc/76/26/82/1040762682.db2.gz CXCLKLDSEHMBOW-CXSMSNRLSA-N 2 1 375.560 3.784 20 0 GHADMP [NH3+]C1(Cc2cccc(Cl)c2)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255106285 1040786945 /nfs/dbraw/zinc/78/69/45/1040786945.db2.gz QXGRDUBZHRSXOH-QFIPXVFZSA-N 2 1 383.967 3.950 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(SC)s1)C2 ZINC001235320119 1040790993 /nfs/dbraw/zinc/79/09/93/1040790993.db2.gz HANFVDJSOAMDAG-OXJNMPFZSA-N 2 1 394.606 3.615 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(F)ccc1Cl)C2 ZINC001235325015 1040794652 /nfs/dbraw/zinc/79/46/52/1040794652.db2.gz NNSKIYVOTZOZHA-GHTZIAJQSA-N 2 1 394.918 3.624 20 0 GHADMP Brc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1Br ZINC001235338985 1040807685 /nfs/dbraw/zinc/80/76/85/1040807685.db2.gz FHBPOEVMMFSCFR-UHFFFAOYSA-N 2 1 388.147 3.643 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255125525 1040817215 /nfs/dbraw/zinc/81/72/15/1040817215.db2.gz WICNSYVOYRCGDX-RSMWHSHJSA-N 2 1 385.552 3.827 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc4oc5ccccc5c4c3)C[C@@H]1CC[NH2+]CC2 ZINC001235348502 1040824040 /nfs/dbraw/zinc/82/40/40/1040824040.db2.gz CKEKFMTXDSSEGX-UUOWRZLLSA-N 2 1 392.499 3.951 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130543 1040824430 /nfs/dbraw/zinc/82/44/30/1040824430.db2.gz VRMBDCCKFFUJSN-CGBRIMPHSA-N 2 1 391.559 3.677 20 0 GHADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001255131756 1040828862 /nfs/dbraw/zinc/82/88/62/1040828862.db2.gz QFEMCGKHIUXDKQ-HTUFRPJOSA-N 2 1 380.532 3.520 20 0 GHADMP COC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001255131756 1040828877 /nfs/dbraw/zinc/82/88/77/1040828877.db2.gz QFEMCGKHIUXDKQ-HTUFRPJOSA-N 2 1 380.532 3.520 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3c(Cl)cc(C)cc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235352164 1040830084 /nfs/dbraw/zinc/83/00/84/1040830084.db2.gz LKXIBJYUCBAVCC-LIRRHRJNSA-N 2 1 385.335 3.667 20 0 GHADMP O[C@@]1(C(F)(F)F)CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255136422 1040840661 /nfs/dbraw/zinc/84/06/61/1040840661.db2.gz LACBTGFKUUWRFM-NMLBUPMWSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@@]1(C(F)(F)F)CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136422 1040840677 /nfs/dbraw/zinc/84/06/77/1040840677.db2.gz LACBTGFKUUWRFM-NMLBUPMWSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@@]1(C(F)(F)F)CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136422 1040840697 /nfs/dbraw/zinc/84/06/97/1040840697.db2.gz LACBTGFKUUWRFM-NMLBUPMWSA-N 2 1 382.470 3.961 20 0 GHADMP CC[C@@H]1[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138762 1040843042 /nfs/dbraw/zinc/84/30/42/1040843042.db2.gz GJYJHORVWBYQSU-ZMNKMHGQSA-N 2 1 381.564 3.705 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138762 1040843056 /nfs/dbraw/zinc/84/30/56/1040843056.db2.gz GJYJHORVWBYQSU-ZMNKMHGQSA-N 2 1 381.564 3.705 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138762 1040843070 /nfs/dbraw/zinc/84/30/70/1040843070.db2.gz GJYJHORVWBYQSU-ZMNKMHGQSA-N 2 1 381.564 3.705 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)ccc1OC ZINC001235360601 1040845770 /nfs/dbraw/zinc/84/57/70/1040845770.db2.gz CIAKYDMXKAVIAS-QPPBQGQZSA-N 2 1 380.532 3.847 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)ccc1OC ZINC001235360601 1040845792 /nfs/dbraw/zinc/84/57/92/1040845792.db2.gz CIAKYDMXKAVIAS-QPPBQGQZSA-N 2 1 380.532 3.847 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001255149740 1040866206 /nfs/dbraw/zinc/86/62/06/1040866206.db2.gz MZZGCWJEDFJWNH-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001255149740 1040866219 /nfs/dbraw/zinc/86/62/19/1040866219.db2.gz MZZGCWJEDFJWNH-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001255149740 1040866239 /nfs/dbraw/zinc/86/62/39/1040866239.db2.gz MZZGCWJEDFJWNH-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001255149740 1040866251 /nfs/dbraw/zinc/86/62/51/1040866251.db2.gz MZZGCWJEDFJWNH-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP COc1cc(O[C@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ccn1 ZINC001255150721 1040873099 /nfs/dbraw/zinc/87/30/99/1040873099.db2.gz XYJYWWPEBCPMLW-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ccn1 ZINC001255150721 1040873102 /nfs/dbraw/zinc/87/31/02/1040873102.db2.gz XYJYWWPEBCPMLW-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ccn1 ZINC001255150721 1040873112 /nfs/dbraw/zinc/87/31/12/1040873112.db2.gz XYJYWWPEBCPMLW-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377198 1040889224 /nfs/dbraw/zinc/88/92/24/1040889224.db2.gz CQXAFYWOUCBRMS-DMDYGQEQSA-N 2 1 389.587 3.978 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235394550 1040909434 /nfs/dbraw/zinc/90/94/34/1040909434.db2.gz DNPYDITVXCGNIQ-PGRDOPGGSA-N 2 1 383.511 3.972 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235396801 1040911336 /nfs/dbraw/zinc/91/13/36/1040911336.db2.gz MHYSWDILLBWWFQ-LEWJYISDSA-N 2 1 382.479 3.649 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001255240544 1040922371 /nfs/dbraw/zinc/92/23/71/1040922371.db2.gz GHOIEGGVOKNTLE-PMOLBWCYSA-N 2 1 379.589 3.969 20 0 GHADMP c1ccc(-c2nc3n(c2C[N@H+]2CCC[C@@H]([C@H]4CCC[NH2+]C4)C2)CCS3)cc1 ZINC001235421019 1040924251 /nfs/dbraw/zinc/92/42/51/1040924251.db2.gz AMVSQKPBHIURGB-RBUKOAKNSA-N 2 1 382.577 3.867 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C(F)(F)F)c1OC ZINC001235429608 1040931079 /nfs/dbraw/zinc/93/10/79/1040931079.db2.gz USPKPPRFBKIDNG-LSDHHAIUSA-N 2 1 386.458 3.934 20 0 GHADMP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430332 1040931582 /nfs/dbraw/zinc/93/15/82/1040931582.db2.gz WUDMGXORZFIFQP-CVEARBPZSA-N 2 1 381.358 3.978 20 0 GHADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430923 1040932640 /nfs/dbraw/zinc/93/26/40/1040932640.db2.gz YNAAXIVFTLGHKY-ROUUACIJSA-N 2 1 383.536 3.865 20 0 GHADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431208 1040932738 /nfs/dbraw/zinc/93/27/38/1040932738.db2.gz YNOQRMMKHTXZCT-JKSUJKDBSA-N 2 1 380.374 3.727 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001255380121 1040971180 /nfs/dbraw/zinc/97/11/80/1040971180.db2.gz QFQUUHDKSKRLQZ-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001255380121 1040971187 /nfs/dbraw/zinc/97/11/87/1040971187.db2.gz QFQUUHDKSKRLQZ-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380458 1040971416 /nfs/dbraw/zinc/97/14/16/1040971416.db2.gz KLCZLNMDKLZWHZ-JBACZVJFSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH+]1CCN(c2cccc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)c2)CC1 ZINC001255383966 1040973639 /nfs/dbraw/zinc/97/36/39/1040973639.db2.gz QKMODMVFBUZLJH-DEOSSOPVSA-N 3 1 392.591 3.583 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@H]3CN(c4ccccc4)CCO3)CC2)cc1 ZINC001255388982 1040976816 /nfs/dbraw/zinc/97/68/16/1040976816.db2.gz AYZSZVAFGSICBA-VWNXMTODSA-N 2 1 379.548 3.536 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CO2 ZINC001255392911 1040981273 /nfs/dbraw/zinc/98/12/73/1040981273.db2.gz MWMDGTBTTOFBAM-IFMALSPDSA-N 2 1 380.532 3.891 20 0 GHADMP O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001255392926 1040981573 /nfs/dbraw/zinc/98/15/73/1040981573.db2.gz NFIQOSBUMDQKMB-JOCHJYFZSA-N 2 1 392.547 3.743 20 0 GHADMP O=C1CCCCN1c1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001255392926 1040981577 /nfs/dbraw/zinc/98/15/77/1040981577.db2.gz NFIQOSBUMDQKMB-JOCHJYFZSA-N 2 1 392.547 3.743 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001235558399 1040986801 /nfs/dbraw/zinc/98/68/01/1040986801.db2.gz JBMILYDEDURCSB-BHIYHBOVSA-N 2 1 393.597 3.805 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001235558399 1040986805 /nfs/dbraw/zinc/98/68/05/1040986805.db2.gz JBMILYDEDURCSB-BHIYHBOVSA-N 2 1 393.597 3.805 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001235558399 1040986810 /nfs/dbraw/zinc/98/68/10/1040986810.db2.gz JBMILYDEDURCSB-BHIYHBOVSA-N 2 1 393.597 3.805 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001235558399 1040986812 /nfs/dbraw/zinc/98/68/12/1040986812.db2.gz JBMILYDEDURCSB-BHIYHBOVSA-N 2 1 393.597 3.805 20 0 GHADMP O=C1[C@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccsc1 ZINC001255402308 1040988546 /nfs/dbraw/zinc/98/85/46/1040988546.db2.gz HFLFIOAYXXAQCH-VWPQPMDRSA-N 2 1 395.572 3.697 20 0 GHADMP O=C1[C@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccsc1 ZINC001255402308 1040988548 /nfs/dbraw/zinc/98/85/48/1040988548.db2.gz HFLFIOAYXXAQCH-VWPQPMDRSA-N 2 1 395.572 3.697 20 0 GHADMP O=C1[C@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccsc1 ZINC001255402308 1040988549 /nfs/dbraw/zinc/98/85/49/1040988549.db2.gz HFLFIOAYXXAQCH-VWPQPMDRSA-N 2 1 395.572 3.697 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403661 1040990665 /nfs/dbraw/zinc/99/06/65/1040990665.db2.gz FBQRJEUZVWFZEH-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403661 1040990668 /nfs/dbraw/zinc/99/06/68/1040990668.db2.gz FBQRJEUZVWFZEH-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403661 1040990677 /nfs/dbraw/zinc/99/06/77/1040990677.db2.gz FBQRJEUZVWFZEH-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001255403828 1040990737 /nfs/dbraw/zinc/99/07/37/1040990737.db2.gz QDADQSCIHZQCRY-YCSHWKNNSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001255403828 1040990743 /nfs/dbraw/zinc/99/07/43/1040990743.db2.gz QDADQSCIHZQCRY-YCSHWKNNSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001255403828 1040990749 /nfs/dbraw/zinc/99/07/49/1040990749.db2.gz QDADQSCIHZQCRY-YCSHWKNNSA-N 2 1 395.591 3.668 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CCN([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255406784 1040994092 /nfs/dbraw/zinc/99/40/92/1040994092.db2.gz UFOGCPPQQPFUTI-DEOSSOPVSA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255406784 1040994094 /nfs/dbraw/zinc/99/40/94/1040994094.db2.gz UFOGCPPQQPFUTI-DEOSSOPVSA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406784 1040994095 /nfs/dbraw/zinc/99/40/95/1040994095.db2.gz UFOGCPPQQPFUTI-DEOSSOPVSA-N 2 1 385.596 3.616 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255407530 1040995408 /nfs/dbraw/zinc/99/54/08/1040995408.db2.gz BCAFTVQEAKFHRL-XMMPIXPASA-N 2 1 393.575 3.868 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255407530 1040995411 /nfs/dbraw/zinc/99/54/11/1040995411.db2.gz BCAFTVQEAKFHRL-XMMPIXPASA-N 2 1 393.575 3.868 20 0 GHADMP O=C1CC2(CN1CC1CC1)CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255409733 1040997587 /nfs/dbraw/zinc/99/75/87/1040997587.db2.gz LNURQPMLYSOGFJ-QHCPKHFHSA-N 2 1 395.591 3.766 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410322 1040999848 /nfs/dbraw/zinc/99/98/48/1040999848.db2.gz UKOCUZICNBWWKX-GMAHTHKFSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410322 1040999851 /nfs/dbraw/zinc/99/98/51/1040999851.db2.gz UKOCUZICNBWWKX-GMAHTHKFSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410322 1040999860 /nfs/dbraw/zinc/99/98/60/1040999860.db2.gz UKOCUZICNBWWKX-GMAHTHKFSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410322 1040999869 /nfs/dbraw/zinc/99/98/69/1040999869.db2.gz UKOCUZICNBWWKX-GMAHTHKFSA-N 2 1 378.516 3.814 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](C1CCC(C(C)(C)C)CC1)CCC2 ZINC001255503130 1041097756 /nfs/dbraw/zinc/09/77/56/1041097756.db2.gz QYTILDJXGVULQI-UHFFFAOYSA-N 2 1 388.600 3.894 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C1CCC(C(C)(C)C)CC1)CCC2 ZINC001255503130 1041097775 /nfs/dbraw/zinc/09/77/75/1041097775.db2.gz QYTILDJXGVULQI-UHFFFAOYSA-N 2 1 388.600 3.894 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC(C(C)(C)C)CC1)CCC2 ZINC001255503130 1041097789 /nfs/dbraw/zinc/09/77/89/1041097789.db2.gz QYTILDJXGVULQI-UHFFFAOYSA-N 2 1 388.600 3.894 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255609265 1041165123 /nfs/dbraw/zinc/16/51/23/1041165123.db2.gz SHISNKSNQDQUJM-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255609265 1041165135 /nfs/dbraw/zinc/16/51/35/1041165135.db2.gz SHISNKSNQDQUJM-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255609265 1041165143 /nfs/dbraw/zinc/16/51/43/1041165143.db2.gz SHISNKSNQDQUJM-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255609265 1041165158 /nfs/dbraw/zinc/16/51/58/1041165158.db2.gz SHISNKSNQDQUJM-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP Fc1ccc2[nH]c(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001235693759 1041170781 /nfs/dbraw/zinc/17/07/81/1041170781.db2.gz SRIQPAVQCCLIBF-UHFFFAOYSA-N 2 1 379.483 3.585 20 0 GHADMP Fc1ccc2[nH]c(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001235693759 1041170794 /nfs/dbraw/zinc/17/07/94/1041170794.db2.gz SRIQPAVQCCLIBF-UHFFFAOYSA-N 2 1 379.483 3.585 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@H](C)CC(F)(F)F)CC2 ZINC001255649557 1041190145 /nfs/dbraw/zinc/19/01/45/1041190145.db2.gz BVVFFQNNSZULNU-SJLPKXTDSA-N 2 1 392.506 3.557 20 0 GHADMP COC(=O)c1ccc(C[N@H+](C2C[C@H]3CCC[C@@H](C2)N3C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255672650 1041203991 /nfs/dbraw/zinc/20/39/91/1041203991.db2.gz MBIWKKOYNSUKQL-LEKVTHMOSA-N 2 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255672650 1041204006 /nfs/dbraw/zinc/20/40/06/1041204006.db2.gz MBIWKKOYNSUKQL-LEKVTHMOSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255672650 1041204019 /nfs/dbraw/zinc/20/40/19/1041204019.db2.gz MBIWKKOYNSUKQL-LEKVTHMOSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255672650 1041204034 /nfs/dbraw/zinc/20/40/34/1041204034.db2.gz MBIWKKOYNSUKQL-LEKVTHMOSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255672650 1041204047 /nfs/dbraw/zinc/20/40/47/1041204047.db2.gz MBIWKKOYNSUKQL-LEKVTHMOSA-N 3 1 399.579 3.560 20 0 GHADMP Cc1ccc(I)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001235784739 1041271313 /nfs/dbraw/zinc/27/13/13/1041271313.db2.gz OINVXPWUVIKFRT-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP Cc1ccc(C[C@H](C)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)cc1 ZINC001255778907 1041289264 /nfs/dbraw/zinc/28/92/64/1041289264.db2.gz BIUZNAFMWMJGRX-IBGZPJMESA-N 2 1 377.573 3.752 20 0 GHADMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)Cc1ccc2n1CC[NH2+]C2 ZINC001235795675 1041294630 /nfs/dbraw/zinc/29/46/30/1041294630.db2.gz LJNHQNKPJLWHJD-UHFFFAOYSA-N 2 1 375.516 3.829 20 0 GHADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001255789160 1041295675 /nfs/dbraw/zinc/29/56/75/1041295675.db2.gz AJWVVRXLBYWZPO-TUACAJSNSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001255789160 1041295681 /nfs/dbraw/zinc/29/56/81/1041295681.db2.gz AJWVVRXLBYWZPO-TUACAJSNSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001255789160 1041295696 /nfs/dbraw/zinc/29/56/96/1041295696.db2.gz AJWVVRXLBYWZPO-TUACAJSNSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001235796765 1041298814 /nfs/dbraw/zinc/29/88/14/1041298814.db2.gz VQHJVJNAJBKKFA-NHCUHLMSSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001235796765 1041298822 /nfs/dbraw/zinc/29/88/22/1041298822.db2.gz VQHJVJNAJBKKFA-NHCUHLMSSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001235796765 1041298838 /nfs/dbraw/zinc/29/88/38/1041298838.db2.gz VQHJVJNAJBKKFA-NHCUHLMSSA-N 2 1 396.604 3.625 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255870117 1041360077 /nfs/dbraw/zinc/36/00/77/1041360077.db2.gz IGNRXLRFAFVQPL-AUSIDOKSSA-N 2 1 397.538 3.907 20 0 GHADMP c1ccc(C(OCC[N@H+]2CCCN(C[C@H]3CCC[NH2+]3)CC2)c2ccccc2)cc1 ZINC001235867412 1041401732 /nfs/dbraw/zinc/40/17/32/1041401732.db2.gz PNTOBJLCWBFTFA-XMMPIXPASA-N 2 1 393.575 3.552 20 0 GHADMP COc1cccc(OC)c1CN1CCC([N@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001255930520 1041418426 /nfs/dbraw/zinc/41/84/26/1041418426.db2.gz RVQVQSUTCXGJDW-LJQANCHMSA-N 2 1 389.584 3.509 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)cn1 ZINC001235939291 1041445364 /nfs/dbraw/zinc/44/53/64/1041445364.db2.gz OVLYGBWFTXHWOS-CVEARBPZSA-N 2 1 377.410 3.689 20 0 GHADMP COCCC[N@H+](Cc1cccc(F)c1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235939414 1041446097 /nfs/dbraw/zinc/44/60/97/1041446097.db2.gz BQIDMQJJMAAUEH-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COCCC[N@@H+](Cc1cccc(F)c1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235939414 1041446099 /nfs/dbraw/zinc/44/60/99/1041446099.db2.gz BQIDMQJJMAAUEH-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COCC[N@H+](Cc1cc(OCc2ccccc2)c(OC)cc1C)C1CC[NH2+]CC1 ZINC001235943286 1041449431 /nfs/dbraw/zinc/44/94/31/1041449431.db2.gz HQGOYORCCKGRCR-UHFFFAOYSA-N 2 1 398.547 3.783 20 0 GHADMP COCC[N@@H+](Cc1cc(OCc2ccccc2)c(OC)cc1C)C1CC[NH2+]CC1 ZINC001235943286 1041449435 /nfs/dbraw/zinc/44/94/35/1041449435.db2.gz HQGOYORCCKGRCR-UHFFFAOYSA-N 2 1 398.547 3.783 20 0 GHADMP FC1(CN(Cc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235947917 1041453020 /nfs/dbraw/zinc/45/30/20/1041453020.db2.gz HSSSOZHNBDFODG-QHCPKHFHSA-N 2 1 381.539 3.855 20 0 GHADMP FC1(C[N@H+](Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235947917 1041453041 /nfs/dbraw/zinc/45/30/41/1041453041.db2.gz HSSSOZHNBDFODG-QHCPKHFHSA-N 2 1 381.539 3.855 20 0 GHADMP FC1(C[N@@H+](Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235947917 1041453047 /nfs/dbraw/zinc/45/30/47/1041453047.db2.gz HSSSOZHNBDFODG-QHCPKHFHSA-N 2 1 381.539 3.855 20 0 GHADMP CC[N@@H+](Cc1cccc(Br)c1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235963698 1041468154 /nfs/dbraw/zinc/46/81/54/1041468154.db2.gz YRRPOUYACNBTCB-UHFFFAOYSA-N 2 1 388.353 3.881 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001235973842 1041478875 /nfs/dbraw/zinc/47/88/75/1041478875.db2.gz OXLHOPTYFYOMGG-LRDDRELGSA-N 2 1 378.294 3.606 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001235973845 1041479266 /nfs/dbraw/zinc/47/92/66/1041479266.db2.gz OXLHOPTYFYOMGG-WBMJQRKESA-N 2 1 378.294 3.606 20 0 GHADMP COC(=O)c1c(Cl)cccc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977138 1041481124 /nfs/dbraw/zinc/48/11/24/1041481124.db2.gz FEVGDNUNHDDFGE-UHFFFAOYSA-N 2 1 384.907 3.764 20 0 GHADMP COC(=O)c1c(Cl)cccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977138 1041481128 /nfs/dbraw/zinc/48/11/28/1041481128.db2.gz FEVGDNUNHDDFGE-UHFFFAOYSA-N 2 1 384.907 3.764 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975814 1041481424 /nfs/dbraw/zinc/48/14/24/1041481424.db2.gz XAEYUTRNVSHIMH-JOCHJYFZSA-N 3 1 375.560 3.646 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975814 1041481430 /nfs/dbraw/zinc/48/14/30/1041481430.db2.gz XAEYUTRNVSHIMH-JOCHJYFZSA-N 3 1 375.560 3.646 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975814 1041481441 /nfs/dbraw/zinc/48/14/41/1041481441.db2.gz XAEYUTRNVSHIMH-JOCHJYFZSA-N 3 1 375.560 3.646 20 0 GHADMP c1ccc(CN2CC[C@@H](C[N@@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975814 1041481450 /nfs/dbraw/zinc/48/14/50/1041481450.db2.gz XAEYUTRNVSHIMH-JOCHJYFZSA-N 2 1 375.560 3.646 20 0 GHADMP c1ccc(CN2CC[C@@H](C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975814 1041481460 /nfs/dbraw/zinc/48/14/60/1041481460.db2.gz XAEYUTRNVSHIMH-JOCHJYFZSA-N 2 1 375.560 3.646 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)ccc2C1 ZINC001256066722 1041503960 /nfs/dbraw/zinc/50/39/60/1041503960.db2.gz NYZYRXONHOBQAO-UHFFFAOYSA-N 2 1 385.552 3.696 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256070091 1041505380 /nfs/dbraw/zinc/50/53/80/1041505380.db2.gz XLPKBZJGMWWUMS-SCWSEQNSSA-N 2 1 382.589 3.707 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256070091 1041505390 /nfs/dbraw/zinc/50/53/90/1041505390.db2.gz XLPKBZJGMWWUMS-SCWSEQNSSA-N 2 1 382.589 3.707 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001236145136 1041567239 /nfs/dbraw/zinc/56/72/39/1041567239.db2.gz CUSOXRSWAXXOIR-DEOSSOPVSA-N 2 1 393.575 3.827 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001236145136 1041567279 /nfs/dbraw/zinc/56/72/79/1041567279.db2.gz CUSOXRSWAXXOIR-DEOSSOPVSA-N 2 1 393.575 3.827 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001236145136 1041567290 /nfs/dbraw/zinc/56/72/90/1041567290.db2.gz CUSOXRSWAXXOIR-DEOSSOPVSA-N 2 1 393.575 3.827 20 0 GHADMP FC(F)(F)c1cccc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC001236143660 1041567485 /nfs/dbraw/zinc/56/74/85/1041567485.db2.gz JDSOXYIHSYFOBY-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP FC(F)(F)c1ccc(Oc2ccc(C[NH+]3CC(N4CC[NH2+]CC4)C3)cc2)cc1 ZINC001236161080 1041583825 /nfs/dbraw/zinc/58/38/25/1041583825.db2.gz WYHPYJIHNVTAHQ-UHFFFAOYSA-N 2 1 391.437 3.587 20 0 GHADMP CCC[N@H+](Cc1c2cc(Cl)ccc2[nH]c1C(=O)OCC)C1CC[NH2+]CC1 ZINC001236184793 1041605555 /nfs/dbraw/zinc/60/55/55/1041605555.db2.gz PNRBMDCXBAJXGD-UHFFFAOYSA-N 2 1 377.916 3.962 20 0 GHADMP CCC[N@@H+](Cc1c2cc(Cl)ccc2[nH]c1C(=O)OCC)C1CC[NH2+]CC1 ZINC001236184793 1041605565 /nfs/dbraw/zinc/60/55/65/1041605565.db2.gz PNRBMDCXBAJXGD-UHFFFAOYSA-N 2 1 377.916 3.962 20 0 GHADMP Brc1ccc2nc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cn2c1 ZINC001236377110 1041688671 /nfs/dbraw/zinc/68/86/71/1041688671.db2.gz XRJIDPQAIAFLFX-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP Brc1ccc2nc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cn2c1 ZINC001236377110 1041688674 /nfs/dbraw/zinc/68/86/74/1041688674.db2.gz XRJIDPQAIAFLFX-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP Clc1ccc(N2CCC([N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)CC2)cc1 ZINC001256310726 1041696237 /nfs/dbraw/zinc/69/62/37/1041696237.db2.gz SMBKIMMDVHXSDT-BGYRXZFFSA-N 2 1 396.966 3.768 20 0 GHADMP COC(=O)c1cccc(C[N@H+](CCc2c(F)cccc2F)C2CC[NH2+]CC2)c1 ZINC001236464555 1041726204 /nfs/dbraw/zinc/72/62/04/1041726204.db2.gz HEXWZMPCAILLFM-UHFFFAOYSA-N 2 1 388.458 3.548 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCc2c(F)cccc2F)C2CC[NH2+]CC2)c1 ZINC001236464555 1041726211 /nfs/dbraw/zinc/72/62/11/1041726211.db2.gz HEXWZMPCAILLFM-UHFFFAOYSA-N 2 1 388.458 3.548 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3ccn(C)c3c2)C2CC[NH2+]CC2)c1 ZINC001236464727 1041726420 /nfs/dbraw/zinc/72/64/20/1041726420.db2.gz KQJHQMHDNKUMLK-UHFFFAOYSA-N 2 1 391.515 3.719 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3ccn(C)c3c2)C2CC[NH2+]CC2)c1 ZINC001236464727 1041726428 /nfs/dbraw/zinc/72/64/28/1041726428.db2.gz KQJHQMHDNKUMLK-UHFFFAOYSA-N 2 1 391.515 3.719 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2c(C)cc(F)cc2C)C2CC[NH2+]CC2)c1 ZINC001236465645 1041726972 /nfs/dbraw/zinc/72/69/72/1041726972.db2.gz AATCIMAZHYIGNI-UHFFFAOYSA-N 2 1 384.495 3.983 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2c(C)cc(F)cc2C)C2CC[NH2+]CC2)c1 ZINC001236465645 1041726977 /nfs/dbraw/zinc/72/69/77/1041726977.db2.gz AATCIMAZHYIGNI-UHFFFAOYSA-N 2 1 384.495 3.983 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3ncsc32)C2CC[NH2+]CC2)c1 ZINC001236467206 1041729508 /nfs/dbraw/zinc/72/95/08/1041729508.db2.gz RFLSIBOEAJEDEF-UHFFFAOYSA-N 2 1 395.528 3.837 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3ncsc32)C2CC[NH2+]CC2)c1 ZINC001236467206 1041729514 /nfs/dbraw/zinc/72/95/14/1041729514.db2.gz RFLSIBOEAJEDEF-UHFFFAOYSA-N 2 1 395.528 3.837 20 0 GHADMP Fc1cc(C[N@@H+](CCC2CC[NH2+]CC2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001236490321 1041737510 /nfs/dbraw/zinc/73/75/10/1041737510.db2.gz DSPDSOJZZSSBQT-UHFFFAOYSA-N 3 1 387.465 3.788 20 0 GHADMP Fc1cc(CN(CCC2CC[NH2+]CC2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001236490321 1041737515 /nfs/dbraw/zinc/73/75/15/1041737515.db2.gz DSPDSOJZZSSBQT-UHFFFAOYSA-N 2 1 387.465 3.788 20 0 GHADMP Cc1ccc(C[N@H+](CCCCNC(=O)OC(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491891 1041738351 /nfs/dbraw/zinc/73/83/51/1041738351.db2.gz HBDQGDAMSQOUHX-UHFFFAOYSA-N 2 1 393.547 3.993 20 0 GHADMP Cc1ccc(C[N@@H+](CCCCNC(=O)OC(C)(C)C)C2CC[NH2+]CC2)c(F)c1 ZINC001236491891 1041738356 /nfs/dbraw/zinc/73/83/56/1041738356.db2.gz HBDQGDAMSQOUHX-UHFFFAOYSA-N 2 1 393.547 3.993 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc1 ZINC001236510389 1041746775 /nfs/dbraw/zinc/74/67/75/1041746775.db2.gz WMOBGVFUFIEFIQ-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc1 ZINC001236510389 1041746782 /nfs/dbraw/zinc/74/67/82/1041746782.db2.gz WMOBGVFUFIEFIQ-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)cc1Br ZINC001236551541 1041759400 /nfs/dbraw/zinc/75/94/00/1041759400.db2.gz DPSGQBOFNABXEA-WKILWMFISA-N 2 1 397.357 3.948 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2ncc(C(F)(F)F)cc2Br)CC1 ZINC001236631120 1041793156 /nfs/dbraw/zinc/79/31/56/1041793156.db2.gz VNDNJLDZQBVAMG-UHFFFAOYSA-N 2 1 380.252 3.637 20 0 GHADMP Brc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1-n1cccn1 ZINC001236638254 1041797548 /nfs/dbraw/zinc/79/75/48/1041797548.db2.gz XNJBWDNPAWEHLF-UHFFFAOYSA-N 2 1 389.341 3.741 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(O)c1)CC2 ZINC001236702814 1041842094 /nfs/dbraw/zinc/84/20/94/1041842094.db2.gz RGBOCRYWHASQTD-HXUWFJFHSA-N 2 1 384.495 3.787 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc(OC(C)(C)C)c4)C[C@H]3C2)cn1 ZINC001237101297 1042036798 /nfs/dbraw/zinc/03/67/98/1042036798.db2.gz WOMISCPGCWZNBH-NHCUHLMSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc(OC(C)(C)C)c4)C[C@H]3C2)cn1 ZINC001237101297 1042036802 /nfs/dbraw/zinc/03/68/02/1042036802.db2.gz WOMISCPGCWZNBH-NHCUHLMSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc(OC(C)(C)C)c4)C[C@H]3C2)cn1 ZINC001237101297 1042036806 /nfs/dbraw/zinc/03/68/06/1042036806.db2.gz WOMISCPGCWZNBH-NHCUHLMSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc(OC(C)(C)C)c4)C[C@H]3C2)cn1 ZINC001237101297 1042036810 /nfs/dbraw/zinc/03/68/10/1042036810.db2.gz WOMISCPGCWZNBH-NHCUHLMSSA-N 2 1 382.552 3.551 20 0 GHADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccc(N4CC[NH2+]CC4)c3)CC[C@H]1N2 ZINC001237248552 1042107240 /nfs/dbraw/zinc/10/72/40/1042107240.db2.gz OWKICNANUHMHSF-RBBKRZOGSA-N 2 1 382.939 3.533 20 0 GHADMP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](Cc3cccc(C(=O)NCC[NH3+])c3)C2)cc1 ZINC001237262966 1042112637 /nfs/dbraw/zinc/11/26/37/1042112637.db2.gz ADXFPMXIEPMSDI-NRFANRHFSA-N 2 1 395.547 3.542 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1c(Cl)cccc1I)CC2 ZINC001237360491 1042169196 /nfs/dbraw/zinc/16/91/96/1042169196.db2.gz ZLBUTOOQCKUPJA-CQSZACIVSA-N 2 1 390.696 3.648 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237395186 1042188211 /nfs/dbraw/zinc/18/82/11/1042188211.db2.gz XKNMBCLJYHPZEW-OCCSQVGLSA-N 2 1 384.471 3.741 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237395186 1042188216 /nfs/dbraw/zinc/18/82/16/1042188216.db2.gz XKNMBCLJYHPZEW-OCCSQVGLSA-N 2 1 384.471 3.741 20 0 GHADMP CC(C)c1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1 ZINC001237458676 1042216957 /nfs/dbraw/zinc/21/69/57/1042216957.db2.gz QLXBEMIPCBGRQC-SGNDLWITSA-N 2 1 393.579 3.777 20 0 GHADMP CC(C)c1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1 ZINC001237458676 1042216963 /nfs/dbraw/zinc/21/69/63/1042216963.db2.gz QLXBEMIPCBGRQC-SGNDLWITSA-N 2 1 393.579 3.777 20 0 GHADMP CC(C)c1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001237458676 1042216968 /nfs/dbraw/zinc/21/69/68/1042216968.db2.gz QLXBEMIPCBGRQC-SGNDLWITSA-N 2 1 393.579 3.777 20 0 GHADMP CC(C)c1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001237458676 1042216973 /nfs/dbraw/zinc/21/69/73/1042216973.db2.gz QLXBEMIPCBGRQC-SGNDLWITSA-N 2 1 393.579 3.777 20 0 GHADMP COc1ccoc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001237864866 1042400685 /nfs/dbraw/zinc/40/06/85/1042400685.db2.gz HEMSUEKAJSNJOH-MRXNPFEDSA-N 2 1 376.522 3.605 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC001237901223 1042416157 /nfs/dbraw/zinc/41/61/57/1042416157.db2.gz UDWWQBBAASVAFR-IAGOWNOFSA-N 2 1 378.442 3.869 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238105985 1042493788 /nfs/dbraw/zinc/49/37/88/1042493788.db2.gz WPORGZXECFFTKL-HXUWFJFHSA-N 3 1 396.560 3.651 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)cc2)CC1 ZINC001240866826 1042960699 /nfs/dbraw/zinc/96/06/99/1042960699.db2.gz NTHRIJLXAMOHAH-UHFFFAOYSA-N 3 1 391.559 3.598 20 0 GHADMP [NH3+]C1CC[NH+](Cc2cccc(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)c2)CC1 ZINC001240867017 1042961200 /nfs/dbraw/zinc/96/12/00/1042961200.db2.gz PSXBYPJQDNOACF-UHFFFAOYSA-N 3 1 391.559 3.598 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520821 1043445204 /nfs/dbraw/zinc/44/52/04/1043445204.db2.gz UOEMYENXXOEFRZ-XLIONFOSSA-N 2 1 399.970 3.742 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520821 1043445209 /nfs/dbraw/zinc/44/52/09/1043445209.db2.gz UOEMYENXXOEFRZ-XLIONFOSSA-N 2 1 399.970 3.742 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520813 1043445239 /nfs/dbraw/zinc/44/52/39/1043445239.db2.gz UOEMYENXXOEFRZ-FXAWDEMLSA-N 2 1 399.970 3.742 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520813 1043445241 /nfs/dbraw/zinc/44/52/41/1043445241.db2.gz UOEMYENXXOEFRZ-FXAWDEMLSA-N 2 1 399.970 3.742 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256522423 1043447332 /nfs/dbraw/zinc/44/73/32/1043447332.db2.gz GWEWDXNZBVQZFU-UGKGYDQZSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256522423 1043447344 /nfs/dbraw/zinc/44/73/44/1043447344.db2.gz GWEWDXNZBVQZFU-UGKGYDQZSA-N 2 1 395.547 3.782 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528562 1043458032 /nfs/dbraw/zinc/45/80/32/1043458032.db2.gz HCRNQSWKMFCWTM-SXLOBPIMSA-N 2 1 375.557 3.932 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256528562 1043458052 /nfs/dbraw/zinc/45/80/52/1043458052.db2.gz HCRNQSWKMFCWTM-SXLOBPIMSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)NC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530280 1043460408 /nfs/dbraw/zinc/46/04/08/1043460408.db2.gz BBQUHTXYXHKMBY-CVDCTZTESA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)NC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530280 1043460423 /nfs/dbraw/zinc/46/04/23/1043460423.db2.gz BBQUHTXYXHKMBY-CVDCTZTESA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC[N@@H+]1Cc1ccccc1 ZINC001256546653 1043506586 /nfs/dbraw/zinc/50/65/86/1043506586.db2.gz NGBCHQBDOYTYIR-DZRGJMJISA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC[N@H+]1Cc1ccccc1 ZINC001256546653 1043506601 /nfs/dbraw/zinc/50/66/01/1043506601.db2.gz NGBCHQBDOYTYIR-DZRGJMJISA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC[NH+]1Cc1ccccc1 ZINC001256546653 1043506619 /nfs/dbraw/zinc/50/66/19/1043506619.db2.gz NGBCHQBDOYTYIR-DZRGJMJISA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC[NH+]1Cc1ccccc1 ZINC001256546653 1043506627 /nfs/dbraw/zinc/50/66/27/1043506627.db2.gz NGBCHQBDOYTYIR-DZRGJMJISA-N 2 1 389.543 3.660 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256550991 1043513847 /nfs/dbraw/zinc/51/38/47/1043513847.db2.gz OQGJAFRAXYPGCG-URXFXBBRSA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256550991 1043513856 /nfs/dbraw/zinc/51/38/56/1043513856.db2.gz OQGJAFRAXYPGCG-URXFXBBRSA-N 2 1 393.575 3.866 20 0 GHADMP CC[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256552905 1043519272 /nfs/dbraw/zinc/51/92/72/1043519272.db2.gz CZTUUGRTJKLPAH-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256552905 1043519276 /nfs/dbraw/zinc/51/92/76/1043519276.db2.gz CZTUUGRTJKLPAH-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256552905 1043519283 /nfs/dbraw/zinc/51/92/83/1043519283.db2.gz CZTUUGRTJKLPAH-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256552905 1043519291 /nfs/dbraw/zinc/51/92/91/1043519291.db2.gz CZTUUGRTJKLPAH-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001256574031 1043548506 /nfs/dbraw/zinc/54/85/06/1043548506.db2.gz UNCKOFLDDDVROP-NZQKXSOJSA-N 2 1 387.568 3.594 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001256574031 1043548511 /nfs/dbraw/zinc/54/85/11/1043548511.db2.gz UNCKOFLDDDVROP-NZQKXSOJSA-N 2 1 387.568 3.594 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(Cc5ccncc5)CC4)[C@H]3C2)cc1 ZINC001256578648 1043551339 /nfs/dbraw/zinc/55/13/39/1043551339.db2.gz VHHVZDNEMZROPV-HVCNVCAESA-N 2 1 390.575 3.546 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001256612366 1043576412 /nfs/dbraw/zinc/57/64/12/1043576412.db2.gz JAEFLFZVKAOYAO-PKTZIBPZSA-N 2 1 378.516 3.540 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001256612366 1043576413 /nfs/dbraw/zinc/57/64/13/1043576413.db2.gz JAEFLFZVKAOYAO-PKTZIBPZSA-N 2 1 378.516 3.540 20 0 GHADMP C[C@@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256613764 1043577979 /nfs/dbraw/zinc/57/79/79/1043577979.db2.gz UNMDWEKTQZBSDG-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256613764 1043577988 /nfs/dbraw/zinc/57/79/88/1043577988.db2.gz UNMDWEKTQZBSDG-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC001292260606 1043653410 /nfs/dbraw/zinc/65/34/10/1043653410.db2.gz DBHMFLMRZVPKIS-GOTSBHOMSA-N 2 1 379.548 3.769 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3cc(F)ccc3Cl)CC2)C1 ZINC001278968007 1043693538 /nfs/dbraw/zinc/69/35/38/1043693538.db2.gz DTXCQDAYHLFNPS-UHFFFAOYSA-N 2 1 384.923 3.778 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3cc(F)ccc3Cl)CC2)C1 ZINC001278968007 1043693545 /nfs/dbraw/zinc/69/35/45/1043693545.db2.gz DTXCQDAYHLFNPS-UHFFFAOYSA-N 2 1 384.923 3.778 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256854707 1043703346 /nfs/dbraw/zinc/70/33/46/1043703346.db2.gz ZYINDXMPNZXURF-AQYVVDRMSA-N 3 1 382.527 3.962 20 0 GHADMP c1ccc(CN2C[C@H]3CCC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC001256856913 1043705241 /nfs/dbraw/zinc/70/52/41/1043705241.db2.gz OFIUOQZYWSNFSC-QPPBQGQZSA-N 2 1 376.548 3.647 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC001256856913 1043705246 /nfs/dbraw/zinc/70/52/46/1043705246.db2.gz OFIUOQZYWSNFSC-QPPBQGQZSA-N 2 1 376.548 3.647 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCCN(C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC001256856913 1043705249 /nfs/dbraw/zinc/70/52/49/1043705249.db2.gz OFIUOQZYWSNFSC-QPPBQGQZSA-N 2 1 376.548 3.647 20 0 GHADMP CC[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256863000 1043709391 /nfs/dbraw/zinc/70/93/91/1043709391.db2.gz UMKPZOSDDWPYRI-HXUWFJFHSA-N 2 1 388.556 3.772 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCc1cc(C)sc1C ZINC001292583075 1043796455 /nfs/dbraw/zinc/79/64/55/1043796455.db2.gz WYQJRKFJOIRBEJ-FQEVSTJZSA-N 2 1 379.614 3.562 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C[C@H](C)O1 ZINC001257091682 1043839237 /nfs/dbraw/zinc/83/92/37/1043839237.db2.gz GCEWHWYJOOFIMF-RDGPPVDQSA-N 2 1 378.582 3.759 20 0 GHADMP CC(C)[NH+]1CCC(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001257216991 1043940184 /nfs/dbraw/zinc/94/01/84/1043940184.db2.gz QDCZEZJJPSZBTM-HSZRJFAPSA-N 3 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC001257222964 1043941536 /nfs/dbraw/zinc/94/15/36/1043941536.db2.gz IAKHSPFMBLOYOV-UHFFFAOYSA-N 2 1 397.485 3.772 20 0 GHADMP CCC[C@H]1CC[C@H](C2CCC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)CC2)CC1 ZINC001257243052 1043944275 /nfs/dbraw/zinc/94/42/75/1043944275.db2.gz VWPLPBCMTIMODH-QNGUGAFLSA-N 2 1 394.604 3.546 20 0 GHADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)ccc2c1 ZINC001257283204 1043955334 /nfs/dbraw/zinc/95/53/34/1043955334.db2.gz SXLXANIMOKJCJB-BTZRARBUSA-N 2 1 395.591 3.880 20 0 GHADMP CCC(CC)[NH+]1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001257297719 1043960239 /nfs/dbraw/zinc/96/02/39/1043960239.db2.gz AIRPKLHEDJBRNX-FQEVSTJZSA-N 2 1 397.607 3.860 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001257476010 1044007993 /nfs/dbraw/zinc/00/79/93/1044007993.db2.gz FCGWGUDZQCCXOM-MOPGFXCFSA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001257476010 1044008003 /nfs/dbraw/zinc/00/80/03/1044008003.db2.gz FCGWGUDZQCCXOM-MOPGFXCFSA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001257476010 1044008009 /nfs/dbraw/zinc/00/80/09/1044008009.db2.gz FCGWGUDZQCCXOM-MOPGFXCFSA-N 2 1 376.589 3.894 20 0 GHADMP [NH3+]C1(c2cccnc2)CC[NH+](C2CCC(C3CCC4(CC3)OCCO4)CC2)CC1 ZINC001257492259 1044018624 /nfs/dbraw/zinc/01/86/24/1044018624.db2.gz NFPHQMAXWPKWIW-UHFFFAOYSA-N 2 1 399.579 3.824 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001257645240 1044096784 /nfs/dbraw/zinc/09/67/84/1044096784.db2.gz WFSJPUSRBLZFCF-JBACZVJFSA-N 2 1 387.568 3.886 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1CCC3(COC3)CC1)CC2 ZINC001257906806 1044254520 /nfs/dbraw/zinc/25/45/20/1044254520.db2.gz FJTRDVAIDMQKHN-JOCHJYFZSA-N 2 1 384.564 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2CCC[NH3+])C[C@@H]1Cc1ccccc1 ZINC001257990388 1044318821 /nfs/dbraw/zinc/31/88/21/1044318821.db2.gz SSRLZZVKZYBYJE-PMACEKPBSA-N 2 1 398.551 3.958 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC001258017667 1044344177 /nfs/dbraw/zinc/34/41/77/1044344177.db2.gz DHDJRKQOESDBJG-FQEVSTJZSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC001258017667 1044344194 /nfs/dbraw/zinc/34/41/94/1044344194.db2.gz DHDJRKQOESDBJG-FQEVSTJZSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258063253 1044376082 /nfs/dbraw/zinc/37/60/82/1044376082.db2.gz FHLCQGCJWZVJTD-FUOIXIIKSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258063253 1044376087 /nfs/dbraw/zinc/37/60/87/1044376087.db2.gz FHLCQGCJWZVJTD-FUOIXIIKSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001258063253 1044376097 /nfs/dbraw/zinc/37/60/97/1044376097.db2.gz FHLCQGCJWZVJTD-FUOIXIIKSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001258063253 1044376114 /nfs/dbraw/zinc/37/61/14/1044376114.db2.gz FHLCQGCJWZVJTD-FUOIXIIKSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258062289 1044377018 /nfs/dbraw/zinc/37/70/18/1044377018.db2.gz BOHLKYCDRMMLLH-MNVIUDHYSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258062289 1044377035 /nfs/dbraw/zinc/37/70/35/1044377035.db2.gz BOHLKYCDRMMLLH-MNVIUDHYSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258062289 1044377052 /nfs/dbraw/zinc/37/70/52/1044377052.db2.gz BOHLKYCDRMMLLH-MNVIUDHYSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258062289 1044377065 /nfs/dbraw/zinc/37/70/65/1044377065.db2.gz BOHLKYCDRMMLLH-MNVIUDHYSA-N 2 1 375.605 3.912 20 0 GHADMP COc1cc2c(cc1OC)C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258140399 1044425706 /nfs/dbraw/zinc/42/57/06/1044425706.db2.gz XFEFCEZIPROBEN-QHCPKHFHSA-N 2 1 394.559 3.858 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141591 1044427214 /nfs/dbraw/zinc/42/72/14/1044427214.db2.gz CQRLZSCPRLEPPB-VXKWHMMOSA-N 2 1 399.579 3.777 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141591 1044427225 /nfs/dbraw/zinc/42/72/25/1044427225.db2.gz CQRLZSCPRLEPPB-VXKWHMMOSA-N 2 1 399.579 3.777 20 0 GHADMP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258171899 1044452788 /nfs/dbraw/zinc/45/27/88/1044452788.db2.gz DOPRVHWSPWSBKQ-QGZVFWFLSA-N 2 1 391.556 3.664 20 0 GHADMP COC(=O)CC[C@@H](C)[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258361773 1044523041 /nfs/dbraw/zinc/52/30/41/1044523041.db2.gz PTPRNTBBEZWSNU-ZTFGCOKTSA-N 2 1 397.357 3.863 20 0 GHADMP COc1ccc(CC[C@H](C)[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001258401520 1044537269 /nfs/dbraw/zinc/53/72/69/1044537269.db2.gz MVUDUTINVAPBOO-FQEVSTJZSA-N 2 1 396.579 3.757 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCN(c2cccc(F)c2)CC1 ZINC001258421523 1044553253 /nfs/dbraw/zinc/55/32/53/1044553253.db2.gz GPBISOBXOXWONB-OAQYLSRUSA-N 2 1 389.559 3.806 20 0 GHADMP CNc1nc(Cl)ncc1CN1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001279102649 1044576828 /nfs/dbraw/zinc/57/68/28/1044576828.db2.gz SZISLEQLULPQMO-UHFFFAOYSA-N 2 1 377.964 3.792 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258544553 1044621765 /nfs/dbraw/zinc/62/17/65/1044621765.db2.gz LHXBFVJNYRZVPD-HXUWFJFHSA-N 2 1 391.987 3.884 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCC(=O)N(Cc3ccccc3)CC2)[nH+]1 ZINC001258595190 1044664374 /nfs/dbraw/zinc/66/43/74/1044664374.db2.gz ZJTGKCZCVQYZRB-NRFANRHFSA-N 2 1 392.547 3.530 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258605405 1044667252 /nfs/dbraw/zinc/66/72/52/1044667252.db2.gz IEEYSWCHTCWHPG-IBGZPJMESA-N 2 1 383.580 3.816 20 0 GHADMP O=C(c1ccccc1)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001258636542 1044680837 /nfs/dbraw/zinc/68/08/37/1044680837.db2.gz RDNHPYAJGYIQLN-QFIPXVFZSA-N 2 1 391.559 3.793 20 0 GHADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258639476 1044682212 /nfs/dbraw/zinc/68/22/12/1044682212.db2.gz GACQFXILBLEUBB-UHFFFAOYSA-N 2 1 397.950 3.895 20 0 GHADMP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258640643 1044682599 /nfs/dbraw/zinc/68/25/99/1044682599.db2.gz NTKSKHIVFBGPNX-UHFFFAOYSA-N 2 1 397.950 3.895 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC001294606177 1044724490 /nfs/dbraw/zinc/72/44/90/1044724490.db2.gz UNNPINVYWDRAEI-MOUTVQLLSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC001294606177 1044724500 /nfs/dbraw/zinc/72/45/00/1044724500.db2.gz UNNPINVYWDRAEI-MOUTVQLLSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001294606177 1044724518 /nfs/dbraw/zinc/72/45/18/1044724518.db2.gz UNNPINVYWDRAEI-MOUTVQLLSA-N 2 1 397.607 3.723 20 0 GHADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001258710596 1044726559 /nfs/dbraw/zinc/72/65/59/1044726559.db2.gz YACFOELTFIWULT-HSZRJFAPSA-N 2 1 395.591 3.612 20 0 GHADMP CC(C)CC(CC(C)C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258835469 1044781071 /nfs/dbraw/zinc/78/10/71/1044781071.db2.gz ZCBKUZXPCFPCGR-UHFFFAOYSA-N 2 1 391.604 3.557 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(OC)c1OC ZINC001258875057 1044818855 /nfs/dbraw/zinc/81/88/55/1044818855.db2.gz XELHBCTYCWUSDS-HOJAQTOUSA-N 2 1 390.568 3.982 20 0 GHADMP COc1cc(C[C@@H](C)[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC001258875057 1044818872 /nfs/dbraw/zinc/81/88/72/1044818872.db2.gz XELHBCTYCWUSDS-HOJAQTOUSA-N 2 1 390.568 3.982 20 0 GHADMP COc1cc(C[C@@H](C)[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC001258875057 1044818894 /nfs/dbraw/zinc/81/88/94/1044818894.db2.gz XELHBCTYCWUSDS-HOJAQTOUSA-N 2 1 390.568 3.982 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001258880692 1044831167 /nfs/dbraw/zinc/83/11/67/1044831167.db2.gz ITMSCEAJXNXKAT-HXUWFJFHSA-N 2 1 381.564 3.554 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258910209 1044863404 /nfs/dbraw/zinc/86/34/04/1044863404.db2.gz OILBYDRNKINMMO-IBGZPJMESA-N 2 1 397.604 3.599 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000381796699 1047000119 /nfs/dbraw/zinc/00/01/19/1047000119.db2.gz PLYDQLBPCZGCIX-FNAHDJPLSA-N 2 1 399.579 3.886 20 0 GHADMP Fc1cc(Cl)c(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1F ZINC001279249301 1047748301 /nfs/dbraw/zinc/74/83/01/1047748301.db2.gz OARDWPPQHXHGBG-UHFFFAOYSA-N 2 1 380.870 3.829 20 0 GHADMP Fc1cc(Cl)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1F ZINC001279249301 1047748307 /nfs/dbraw/zinc/74/83/07/1047748307.db2.gz OARDWPPQHXHGBG-UHFFFAOYSA-N 2 1 380.870 3.829 20 0 GHADMP Brc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279417454 1047798193 /nfs/dbraw/zinc/79/81/93/1047798193.db2.gz SSUVTUPXFKEEFK-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279417454 1047798200 /nfs/dbraw/zinc/79/82/00/1047798200.db2.gz SSUVTUPXFKEEFK-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279417454 1047798205 /nfs/dbraw/zinc/79/82/05/1047798205.db2.gz SSUVTUPXFKEEFK-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP CC[NH+]1CCC(C[NH2+][C@@]23CC[C@@](NCc4scnc4C)(C2)CCC3)CC1 ZINC001279502013 1047826508 /nfs/dbraw/zinc/82/65/08/1047826508.db2.gz MCQWYPCYAKXPET-LEWJYISDSA-N 2 1 376.614 3.708 20 0 GHADMP Brc1cc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)c[nH]1 ZINC001279507306 1047828691 /nfs/dbraw/zinc/82/86/91/1047828691.db2.gz QEDLKMGLXBQHID-UHFFFAOYSA-N 2 1 391.357 3.984 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001279580649 1047852335 /nfs/dbraw/zinc/85/23/35/1047852335.db2.gz ZRBNTELUKDCZFU-BAGYTPMASA-N 2 1 375.988 3.793 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3CCOC(C)(C)C3)C[C@H]2CC1 ZINC001279598096 1047861611 /nfs/dbraw/zinc/86/16/11/1047861611.db2.gz XUPZNXVCEWFUJG-QRVBRYPASA-N 2 1 377.598 3.801 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3CCOC(C)(C)C3)C[C@H]2CC1 ZINC001279598096 1047861626 /nfs/dbraw/zinc/86/16/26/1047861626.db2.gz XUPZNXVCEWFUJG-QRVBRYPASA-N 2 1 377.598 3.801 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3CCOC(C)(C)C3)C[C@H]2CC1 ZINC001279598096 1047861642 /nfs/dbraw/zinc/86/16/42/1047861642.db2.gz XUPZNXVCEWFUJG-QRVBRYPASA-N 2 1 377.598 3.801 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CCCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279609924 1047866790 /nfs/dbraw/zinc/86/67/90/1047866790.db2.gz ZUSJZXYICCXBED-IBGZPJMESA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279609924 1047866799 /nfs/dbraw/zinc/86/67/99/1047866799.db2.gz ZUSJZXYICCXBED-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279609924 1047866812 /nfs/dbraw/zinc/86/68/12/1047866812.db2.gz ZUSJZXYICCXBED-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCC[C@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279609924 1047866827 /nfs/dbraw/zinc/86/68/27/1047866827.db2.gz ZUSJZXYICCXBED-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCC[C@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279609924 1047866840 /nfs/dbraw/zinc/86/68/40/1047866840.db2.gz ZUSJZXYICCXBED-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279638661 1047885019 /nfs/dbraw/zinc/88/50/19/1047885019.db2.gz HHKJCSVRDDNCKU-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(Br)c1OC ZINC001279709029 1047928474 /nfs/dbraw/zinc/92/84/74/1047928474.db2.gz QSJVDCSKEIOAJE-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(Br)c1OC ZINC001279709029 1047928479 /nfs/dbraw/zinc/92/84/79/1047928479.db2.gz QSJVDCSKEIOAJE-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2c(Cl)ccnc2Cl)CC3)n(C)n1 ZINC001279717019 1047933016 /nfs/dbraw/zinc/93/30/16/1047933016.db2.gz CHUBIYWBRNTBKT-UHFFFAOYSA-N 2 1 394.350 3.528 20 0 GHADMP Cc1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001280097745 1048078032 /nfs/dbraw/zinc/07/80/32/1048078032.db2.gz YVCLOSNEVSJJIB-UHFFFAOYSA-N 2 1 398.378 3.678 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+](CC)C1CC1 ZINC001305503791 1048096631 /nfs/dbraw/zinc/09/66/31/1048096631.db2.gz PPTDVZQABHKIHV-SFHVURJKSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+](CC)C1CC1 ZINC001305503791 1048096648 /nfs/dbraw/zinc/09/66/48/1048096648.db2.gz PPTDVZQABHKIHV-SFHVURJKSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+](CC)C1CC1 ZINC001305503791 1048096657 /nfs/dbraw/zinc/09/66/57/1048096657.db2.gz PPTDVZQABHKIHV-SFHVURJKSA-N 2 1 390.620 3.587 20 0 GHADMP CSc1ccc(Cl)cc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001280156366 1048108050 /nfs/dbraw/zinc/10/80/50/1048108050.db2.gz IGLCZUUIXMLPRE-UHFFFAOYSA-N 2 1 376.957 3.883 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001307592083 1049430204 /nfs/dbraw/zinc/43/02/04/1049430204.db2.gz JLAIMIJXDFBWFF-JRBPQWBISA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001307592083 1049430205 /nfs/dbraw/zinc/43/02/05/1049430205.db2.gz JLAIMIJXDFBWFF-JRBPQWBISA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001307592083 1049430210 /nfs/dbraw/zinc/43/02/10/1049430210.db2.gz JLAIMIJXDFBWFF-JRBPQWBISA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001307592083 1049430216 /nfs/dbraw/zinc/43/02/16/1049430216.db2.gz JLAIMIJXDFBWFF-JRBPQWBISA-N 2 1 377.573 3.629 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C4(CCC4)C3)CC2)cc1 ZINC001307613995 1049452049 /nfs/dbraw/zinc/45/20/49/1049452049.db2.gz UXKHXMYKZMIIAU-OAQYLSRUSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C4(CCC4)C3)CC2)cc1 ZINC001307613995 1049452055 /nfs/dbraw/zinc/45/20/55/1049452055.db2.gz UXKHXMYKZMIIAU-OAQYLSRUSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C4(CCC4)C3)CC2)cc1 ZINC001307613995 1049452061 /nfs/dbraw/zinc/45/20/61/1049452061.db2.gz UXKHXMYKZMIIAU-OAQYLSRUSA-N 2 1 383.580 3.541 20 0 GHADMP CCC1(CC)CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC001307695674 1049513768 /nfs/dbraw/zinc/51/37/68/1049513768.db2.gz KDIVLIVGMKBECN-UHFFFAOYSA-N 2 1 385.596 3.932 20 0 GHADMP C[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307700022 1049517029 /nfs/dbraw/zinc/51/70/29/1049517029.db2.gz YHONZUGOQCDEHB-FXAWDEMLSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307700022 1049517043 /nfs/dbraw/zinc/51/70/43/1049517043.db2.gz YHONZUGOQCDEHB-FXAWDEMLSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001307729641 1049543147 /nfs/dbraw/zinc/54/31/47/1049543147.db2.gz HMNCPUUAGWPBTF-OAQYLSRUSA-N 2 1 377.960 3.714 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@]3(C)CC(C)C)CC2)cc1 ZINC001307785241 1049589682 /nfs/dbraw/zinc/58/96/82/1049589682.db2.gz ZLMKKSFPOMLJFS-XMMPIXPASA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@]3(C)CC(C)C)CC2)cc1 ZINC001307785241 1049589694 /nfs/dbraw/zinc/58/96/94/1049589694.db2.gz ZLMKKSFPOMLJFS-XMMPIXPASA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@]3(C)CC(C)C)CC2)cc1 ZINC001307785241 1049589708 /nfs/dbraw/zinc/58/97/08/1049589708.db2.gz ZLMKKSFPOMLJFS-XMMPIXPASA-N 2 1 385.596 3.930 20 0 GHADMP CCCC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001307967083 1049727738 /nfs/dbraw/zinc/72/77/38/1049727738.db2.gz MZTCDTGROUZJGP-UHFFFAOYSA-N 2 1 399.620 3.939 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(Br)cnc1OC ZINC001307975369 1049734612 /nfs/dbraw/zinc/73/46/12/1049734612.db2.gz JYFWNABUZZTHHA-UHFFFAOYSA-N 2 1 392.341 3.936 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(Br)cnc1OC ZINC001307975369 1049734617 /nfs/dbraw/zinc/73/46/17/1049734617.db2.gz JYFWNABUZZTHHA-UHFFFAOYSA-N 2 1 392.341 3.936 20 0 GHADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001307982831 1049738545 /nfs/dbraw/zinc/73/85/45/1049738545.db2.gz SGLJVYZOZZMPSD-UHFFFAOYSA-N 2 1 383.458 3.984 20 0 GHADMP C[C@H]1C[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308038662 1049789449 /nfs/dbraw/zinc/78/94/49/1049789449.db2.gz AKGIEPRMSBUUPH-OALUTQOASA-N 2 1 388.556 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001308196446 1049909054 /nfs/dbraw/zinc/90/90/54/1049909054.db2.gz HGPYRTBBHQXQTK-NHCUHLMSSA-N 2 1 387.568 3.860 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001308196446 1049909059 /nfs/dbraw/zinc/90/90/59/1049909059.db2.gz HGPYRTBBHQXQTK-NHCUHLMSSA-N 2 1 387.568 3.860 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC001308282020 1049936292 /nfs/dbraw/zinc/93/62/92/1049936292.db2.gz ZJWWWKPSKIYEBH-BETUJISGSA-N 2 1 391.300 3.706 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001308639506 1050043343 /nfs/dbraw/zinc/04/33/43/1050043343.db2.gz RLLVPIUPWCJFOJ-STIDFRRYSA-N 2 1 393.934 3.744 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001308639506 1050043346 /nfs/dbraw/zinc/04/33/46/1050043346.db2.gz RLLVPIUPWCJFOJ-STIDFRRYSA-N 2 1 393.934 3.744 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001308639507 1050043591 /nfs/dbraw/zinc/04/35/91/1050043591.db2.gz RLLVPIUPWCJFOJ-VMBSDNPXSA-N 2 1 393.934 3.744 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001308639507 1050043597 /nfs/dbraw/zinc/04/35/97/1050043597.db2.gz RLLVPIUPWCJFOJ-VMBSDNPXSA-N 2 1 393.934 3.744 20 0 GHADMP COC(=O)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308968339 1050229051 /nfs/dbraw/zinc/22/90/51/1050229051.db2.gz CUKLOOSYRHVZSW-GOTSBHOMSA-N 2 1 392.543 3.948 20 0 GHADMP COC(=O)C[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308968339 1050229064 /nfs/dbraw/zinc/22/90/64/1050229064.db2.gz CUKLOOSYRHVZSW-GOTSBHOMSA-N 2 1 392.543 3.948 20 0 GHADMP C[C@@H](C(=O)Nc1ccnn1[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001328648998 1050574562 /nfs/dbraw/zinc/57/45/62/1050574562.db2.gz KXVNBEWEFICMQS-JTJHWIPRSA-N 2 1 395.551 3.530 20 0 GHADMP C[C@@H](C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001328648998 1050574577 /nfs/dbraw/zinc/57/45/77/1050574577.db2.gz KXVNBEWEFICMQS-JTJHWIPRSA-N 2 1 395.551 3.530 20 0 GHADMP Brc1cc2c(cc1C[N@H+]1CCCC3(CC[NH2+]CC3)C1)OCCCO2 ZINC001329498991 1050821084 /nfs/dbraw/zinc/82/10/84/1050821084.db2.gz KFYYVBMRQZZLQN-UHFFFAOYSA-N 2 1 395.341 3.576 20 0 GHADMP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@H+](C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001329877736 1050915171 /nfs/dbraw/zinc/91/51/71/1050915171.db2.gz IESGYGLRIKQLOI-SFHVURJKSA-N 2 1 378.520 3.997 20 0 GHADMP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001329877736 1050915172 /nfs/dbraw/zinc/91/51/72/1050915172.db2.gz IESGYGLRIKQLOI-SFHVURJKSA-N 2 1 378.520 3.997 20 0 GHADMP [NH3+][C@H](CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccccc1 ZINC001332515925 1051535875 /nfs/dbraw/zinc/53/58/75/1051535875.db2.gz HWUQRLIIHMCWFJ-LJQANCHMSA-N 2 1 391.519 3.968 20 0 GHADMP Cc1c(C(=O)N(C[C@H](C)[NH+](C)C)c2c(C)cccc2C)cnn1-c1cc[nH+]cc1 ZINC001332519997 1051536155 /nfs/dbraw/zinc/53/61/55/1051536155.db2.gz FPERVMXMALTOIK-SFHVURJKSA-N 2 1 391.519 3.789 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC001311314414 1052013995 /nfs/dbraw/zinc/01/39/95/1052013995.db2.gz PCMJIRWNEFRPEK-RBUKOAKNSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@@H](CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[NH+]1CCCC[C@@H]1C ZINC001311395118 1052087408 /nfs/dbraw/zinc/08/74/08/1052087408.db2.gz IQJDIGOPDOVMPW-PMACEKPBSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1)[N@@H+]1CCCC[C@@H]1C ZINC001311395118 1052087421 /nfs/dbraw/zinc/08/74/21/1052087421.db2.gz IQJDIGOPDOVMPW-PMACEKPBSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1)[N@H+]1CCCC[C@@H]1C ZINC001311395118 1052087432 /nfs/dbraw/zinc/08/74/32/1052087432.db2.gz IQJDIGOPDOVMPW-PMACEKPBSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCCC[C@H]1C ZINC001311396705 1052090047 /nfs/dbraw/zinc/09/00/47/1052090047.db2.gz ORFFVHOJSNFTRH-NJDAHSKKSA-N 2 1 392.632 3.935 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@@H+]1CCCC[C@H]1C ZINC001311396705 1052090061 /nfs/dbraw/zinc/09/00/61/1052090061.db2.gz ORFFVHOJSNFTRH-NJDAHSKKSA-N 2 1 392.632 3.935 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@H+]1CCCC[C@H]1C ZINC001311396705 1052090075 /nfs/dbraw/zinc/09/00/75/1052090075.db2.gz ORFFVHOJSNFTRH-NJDAHSKKSA-N 2 1 392.632 3.935 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c(Cl)nc21 ZINC001335581561 1052134665 /nfs/dbraw/zinc/13/46/65/1052134665.db2.gz FDLWNMROBMUQBC-ZVZYQTTQSA-N 2 1 375.948 3.828 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC001335888661 1052197169 /nfs/dbraw/zinc/19/71/69/1052197169.db2.gz ADGYLJQJIBNYRO-LJQANCHMSA-N 2 1 391.393 3.903 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001311499114 1052205666 /nfs/dbraw/zinc/20/56/66/1052205666.db2.gz WZVBULIGXOFHPZ-PTUXOGIPSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001311499114 1052205675 /nfs/dbraw/zinc/20/56/75/1052205675.db2.gz WZVBULIGXOFHPZ-PTUXOGIPSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001311499114 1052205685 /nfs/dbraw/zinc/20/56/85/1052205685.db2.gz WZVBULIGXOFHPZ-PTUXOGIPSA-N 2 1 398.595 3.877 20 0 GHADMP CC[N@@H+](CCCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001311671420 1052317814 /nfs/dbraw/zinc/31/78/14/1052317814.db2.gz YRBZNXIXTVGMPW-ZCNNSNEGSA-N 2 1 380.621 3.697 20 0 GHADMP CC[NH+](CCCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001311671420 1052317822 /nfs/dbraw/zinc/31/78/22/1052317822.db2.gz YRBZNXIXTVGMPW-ZCNNSNEGSA-N 2 1 380.621 3.697 20 0 GHADMP CC[NH+](CCCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001311671420 1052317830 /nfs/dbraw/zinc/31/78/30/1052317830.db2.gz YRBZNXIXTVGMPW-ZCNNSNEGSA-N 2 1 380.621 3.697 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001311748189 1052370993 /nfs/dbraw/zinc/37/09/93/1052370993.db2.gz ZQFBHRBTAHZHIS-ISKFKSNPSA-N 2 1 394.563 3.562 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[NH+](C)Cc1ccccc1 ZINC001311986504 1052515268 /nfs/dbraw/zinc/51/52/68/1052515268.db2.gz LACKEMLKUGCNIH-UGKGYDQZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001311986504 1052515273 /nfs/dbraw/zinc/51/52/73/1052515273.db2.gz LACKEMLKUGCNIH-UGKGYDQZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001311986504 1052515280 /nfs/dbraw/zinc/51/52/80/1052515280.db2.gz LACKEMLKUGCNIH-UGKGYDQZSA-N 2 1 386.584 3.603 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001312443543 1052745488 /nfs/dbraw/zinc/74/54/88/1052745488.db2.gz ZBLPATFUWCSIHR-IFMALSPDSA-N 2 1 384.568 3.517 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001312443543 1052745492 /nfs/dbraw/zinc/74/54/92/1052745492.db2.gz ZBLPATFUWCSIHR-IFMALSPDSA-N 2 1 384.568 3.517 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001312443543 1052745498 /nfs/dbraw/zinc/74/54/98/1052745498.db2.gz ZBLPATFUWCSIHR-IFMALSPDSA-N 2 1 384.568 3.517 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001312443543 1052745505 /nfs/dbraw/zinc/74/55/05/1052745505.db2.gz ZBLPATFUWCSIHR-IFMALSPDSA-N 2 1 384.568 3.517 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001312648261 1052825326 /nfs/dbraw/zinc/82/53/26/1052825326.db2.gz LEFWNFNDPKJTKM-DHIUTWEWSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312648261 1052825332 /nfs/dbraw/zinc/82/53/32/1052825332.db2.gz LEFWNFNDPKJTKM-DHIUTWEWSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312648261 1052825337 /nfs/dbraw/zinc/82/53/37/1052825337.db2.gz LEFWNFNDPKJTKM-DHIUTWEWSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001312998105 1052929975 /nfs/dbraw/zinc/92/99/75/1052929975.db2.gz GEXXIWJHHJWHMU-YPAWHYETSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001312998105 1052929977 /nfs/dbraw/zinc/92/99/77/1052929977.db2.gz GEXXIWJHHJWHMU-YPAWHYETSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001312998105 1052929979 /nfs/dbraw/zinc/92/99/79/1052929979.db2.gz GEXXIWJHHJWHMU-YPAWHYETSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001313316420 1053016179 /nfs/dbraw/zinc/01/61/79/1053016179.db2.gz RGUJRKDQNOJRJA-YLJYHZDGSA-N 2 1 394.991 3.676 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001318701261 1054805062 /nfs/dbraw/zinc/80/50/62/1054805062.db2.gz PKPZQUWTNRJCDS-COPCDDAFSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001319301887 1055168353 /nfs/dbraw/zinc/16/83/53/1055168353.db2.gz FWFQNCRHTALVQN-IBGZPJMESA-N 2 1 386.584 3.687 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1OC ZINC001319762410 1055450562 /nfs/dbraw/zinc/45/05/62/1055450562.db2.gz GCAYXAZVTNZZKG-IBGZPJMESA-N 2 1 397.563 3.610 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccccc3N3CCCC3)CC2)CC1 ZINC001319964550 1055566130 /nfs/dbraw/zinc/56/61/30/1055566130.db2.gz UJPQFGIKQZIIRU-UHFFFAOYSA-N 2 1 398.639 3.915 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1N1CCCC1 ZINC001319964550 1055566138 /nfs/dbraw/zinc/56/61/38/1055566138.db2.gz UJPQFGIKQZIIRU-UHFFFAOYSA-N 3 1 398.639 3.915 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1N1CCCC1 ZINC001319964550 1055566147 /nfs/dbraw/zinc/56/61/47/1055566147.db2.gz UJPQFGIKQZIIRU-UHFFFAOYSA-N 3 1 398.639 3.915 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001321828359 1056410878 /nfs/dbraw/zinc/41/08/78/1056410878.db2.gz XJYWOUTYOKFJQV-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c(C)c1OC ZINC001321857480 1056421427 /nfs/dbraw/zinc/42/14/27/1056421427.db2.gz OCTVIFGVNLSZBU-LJQANCHMSA-N 2 1 397.563 3.610 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001354676111 1056882815 /nfs/dbraw/zinc/88/28/15/1056882815.db2.gz QFFZBZIQHGXROW-BXXSPATCSA-N 2 1 385.596 3.770 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC001300723906 1056950354 /nfs/dbraw/zinc/95/03/54/1056950354.db2.gz OAFWHWAWSNCYPS-YPAWHYETSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001300723906 1056950356 /nfs/dbraw/zinc/95/03/56/1056950356.db2.gz OAFWHWAWSNCYPS-YPAWHYETSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001300723906 1056950358 /nfs/dbraw/zinc/95/03/58/1056950358.db2.gz OAFWHWAWSNCYPS-YPAWHYETSA-N 2 1 385.596 3.771 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ncc(-c4ccccc4)s3)CC2)nc(C)[nH+]1 ZINC001200821164 1056989531 /nfs/dbraw/zinc/98/95/31/1056989531.db2.gz MGCONJJIPBLHLR-UHFFFAOYSA-N 2 1 379.533 3.976 20 0 GHADMP Cc1c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cnn1-c1cc[nH+]cc1 ZINC001324635741 1057185646 /nfs/dbraw/zinc/18/56/46/1057185646.db2.gz MJVKOSXLUUVCAJ-UHFFFAOYSA-N 2 1 383.540 3.548 20 0 GHADMP Cc1c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc2c[nH+]cn21 ZINC001325150363 1057281041 /nfs/dbraw/zinc/28/10/41/1057281041.db2.gz IOFSCGLPHNOSME-XMMPIXPASA-N 2 1 388.515 3.771 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)o1 ZINC000848897209 1057405222 /nfs/dbraw/zinc/40/52/22/1057405222.db2.gz GKANJTOTZXBAQW-LLSOJIOMSA-N 2 1 382.504 3.712 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)N1c2ccccc2CCc2ccccc21 ZINC001326310237 1057453606 /nfs/dbraw/zinc/45/36/06/1057453606.db2.gz ADAHUWMUYGOGAL-UHFFFAOYSA-N 2 1 389.543 3.916 20 0 GHADMP COc1ccc([C@H](CNC(=[NH2+])NCc2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000849054972 1057564344 /nfs/dbraw/zinc/56/43/44/1057564344.db2.gz MVLQWICYEXBEEM-NRFANRHFSA-N 2 1 396.535 3.545 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CC1 ZINC000849092574 1057591798 /nfs/dbraw/zinc/59/17/98/1057591798.db2.gz QXVVEXZBSBQOOQ-SFTDATJTSA-N 2 1 378.520 3.535 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC001338418380 1058557603 /nfs/dbraw/zinc/55/76/03/1058557603.db2.gz NAVWSEYQWTYRNY-SFHVURJKSA-N 2 1 389.421 3.893 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1 ZINC001339050636 1058939838 /nfs/dbraw/zinc/93/98/38/1058939838.db2.gz XWMITHIRLIQQTH-UXHICEINSA-N 2 1 388.600 3.927 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC001444358652 1059316883 /nfs/dbraw/zinc/31/68/83/1059316883.db2.gz YECLCJMIUPPXSJ-FQEVSTJZSA-N 2 1 386.584 3.525 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001445530076 1059556745 /nfs/dbraw/zinc/55/67/45/1059556745.db2.gz XOEFBGIDCZLPBC-VABKMULXSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445530076 1059556761 /nfs/dbraw/zinc/55/67/61/1059556761.db2.gz XOEFBGIDCZLPBC-VABKMULXSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445530076 1059556783 /nfs/dbraw/zinc/55/67/83/1059556783.db2.gz XOEFBGIDCZLPBC-VABKMULXSA-N 2 1 383.580 3.622 20 0 GHADMP CCCN(C(=O)c1csc([C@H](C)[NH3+])n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001340044096 1059646699 /nfs/dbraw/zinc/64/66/99/1059646699.db2.gz GDPUUKFFBFTJCI-WMZOPIPTSA-N 2 1 386.565 3.680 20 0 GHADMP CCCN(C(=O)c1csc([C@H](C)[NH3+])n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001340044096 1059646704 /nfs/dbraw/zinc/64/67/04/1059646704.db2.gz GDPUUKFFBFTJCI-WMZOPIPTSA-N 2 1 386.565 3.680 20 0 GHADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+]1CCCCC1 ZINC001446718023 1059839763 /nfs/dbraw/zinc/83/97/63/1059839763.db2.gz WOWAYVMAKGEBBP-OLKYXYMISA-N 2 1 397.607 3.914 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001448573609 1060220677 /nfs/dbraw/zinc/22/06/77/1060220677.db2.gz USINTCNYQRTNEJ-XZOQPEGZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001448573609 1060220700 /nfs/dbraw/zinc/22/07/00/1060220700.db2.gz USINTCNYQRTNEJ-XZOQPEGZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001448573609 1060220727 /nfs/dbraw/zinc/22/07/27/1060220727.db2.gz USINTCNYQRTNEJ-XZOQPEGZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001448573609 1060220753 /nfs/dbraw/zinc/22/07/53/1060220753.db2.gz USINTCNYQRTNEJ-XZOQPEGZSA-N 2 1 383.580 3.954 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1C)c1ccccc1 ZINC001454408437 1061768020 /nfs/dbraw/zinc/76/80/20/1061768020.db2.gz SYRFOIDCTQEJLZ-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1C)c1ccccc1 ZINC001454408437 1061768029 /nfs/dbraw/zinc/76/80/29/1061768029.db2.gz SYRFOIDCTQEJLZ-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C)c1ccccc1 ZINC001454408437 1061768040 /nfs/dbraw/zinc/76/80/40/1061768040.db2.gz SYRFOIDCTQEJLZ-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C)c1ccccc1 ZINC001454408437 1061768054 /nfs/dbraw/zinc/76/80/54/1061768054.db2.gz SYRFOIDCTQEJLZ-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001454630935 1061890968 /nfs/dbraw/zinc/89/09/68/1061890968.db2.gz BSNOPUDOQMBTBJ-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP CC[N@@H+](CC(=O)N[C@]1(C)C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001456557274 1062749851 /nfs/dbraw/zinc/74/98/51/1062749851.db2.gz XSBGNCSOACHMDF-UKILVPOCSA-N 2 1 391.559 3.645 20 0 GHADMP CC[NH+](CC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001456557274 1062749867 /nfs/dbraw/zinc/74/98/67/1062749867.db2.gz XSBGNCSOACHMDF-UKILVPOCSA-N 2 1 391.559 3.645 20 0 GHADMP CC[NH+](CC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CC1 ZINC001456557274 1062749886 /nfs/dbraw/zinc/74/98/86/1062749886.db2.gz XSBGNCSOACHMDF-UKILVPOCSA-N 2 1 391.559 3.645 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001458257035 1063700128 /nfs/dbraw/zinc/70/01/28/1063700128.db2.gz JEIBFIYJSSOJAM-UHFFFAOYSA-N 2 1 386.367 3.852 20 0 GHADMP C[N@H+](C[C@H](O)C[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC001459316639 1064060239 /nfs/dbraw/zinc/06/02/39/1064060239.db2.gz AVMFEUXFFNYWSQ-FQEVSTJZSA-N 2 1 384.486 3.805 20 0 GHADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC001459316639 1064060249 /nfs/dbraw/zinc/06/02/49/1064060249.db2.gz AVMFEUXFFNYWSQ-FQEVSTJZSA-N 2 1 384.486 3.805 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C(C)C)CC2)CC1 ZINC001459513553 1064116818 /nfs/dbraw/zinc/11/68/18/1064116818.db2.gz IRSXBBZEZNMZSK-JOCHJYFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C(C)C)CC2)CC1 ZINC001459513553 1064116836 /nfs/dbraw/zinc/11/68/36/1064116836.db2.gz IRSXBBZEZNMZSK-JOCHJYFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C(C)C)CC2)CC1 ZINC001459513553 1064116846 /nfs/dbraw/zinc/11/68/46/1064116846.db2.gz IRSXBBZEZNMZSK-JOCHJYFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](CC(C)C)C2)CC1 ZINC001459771856 1064209909 /nfs/dbraw/zinc/20/99/09/1064209909.db2.gz MKGPUBHXIQSTFY-QFIPXVFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](CC(C)C)C2)CC1 ZINC001459771856 1064209916 /nfs/dbraw/zinc/20/99/16/1064209916.db2.gz MKGPUBHXIQSTFY-QFIPXVFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](CC(C)C)C2)CC1 ZINC001459771856 1064209924 /nfs/dbraw/zinc/20/99/24/1064209924.db2.gz MKGPUBHXIQSTFY-QFIPXVFZSA-N 2 1 385.596 3.787 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC001459985533 1064322140 /nfs/dbraw/zinc/32/21/40/1064322140.db2.gz RDKISSZAKJLJLV-MAUKXSAKSA-N 2 1 399.373 3.684 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC001459985533 1064322143 /nfs/dbraw/zinc/32/21/43/1064322143.db2.gz RDKISSZAKJLJLV-MAUKXSAKSA-N 2 1 399.373 3.684 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)ccc(C4OCCO4)c3Cl)C[C@H]2C1 ZINC001352114019 1064846307 /nfs/dbraw/zinc/84/63/07/1064846307.db2.gz XMJNVXCVEKSNKO-RBSFLKMASA-N 2 1 382.907 3.687 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001464380128 1064980022 /nfs/dbraw/zinc/98/00/22/1064980022.db2.gz YBLIQVGETPARJS-IRLDBZIGSA-N 2 1 385.596 3.915 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001464503593 1065049077 /nfs/dbraw/zinc/04/90/77/1065049077.db2.gz ZZRDXWKYRWKWAP-SFHVURJKSA-N 2 1 385.474 3.689 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc(-c4ccccn4)c3)c2)CC1 ZINC001200046271 1065067466 /nfs/dbraw/zinc/06/74/66/1065067466.db2.gz LSCLFYCFNNABLR-UHFFFAOYSA-N 2 1 386.543 3.786 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001464644504 1065134014 /nfs/dbraw/zinc/13/40/14/1065134014.db2.gz UMVGWJIUTFTUOF-UHFFFAOYSA-N 2 1 381.511 3.510 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1 ZINC000847378631 1065173497 /nfs/dbraw/zinc/17/34/97/1065173497.db2.gz PWYIMPYKUHAJEK-UHFFFAOYSA-N 2 1 386.565 3.876 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)c1 ZINC001353495286 1065977185 /nfs/dbraw/zinc/97/71/85/1065977185.db2.gz LJPJRBKWGUGUSK-HMXCVIKNSA-N 2 1 396.535 3.541 20 0 GHADMP S=C(NCC[NH+]1CCCCC1)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001200430231 1066197295 /nfs/dbraw/zinc/19/72/95/1066197295.db2.gz LGSRBWJDSYMHEZ-UHFFFAOYSA-N 2 1 394.588 3.975 20 0 GHADMP S=C(NCC[NH+]1CCCCC1)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001200430231 1066197304 /nfs/dbraw/zinc/19/73/04/1066197304.db2.gz LGSRBWJDSYMHEZ-UHFFFAOYSA-N 2 1 394.588 3.975 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001467629234 1067391159 /nfs/dbraw/zinc/39/11/59/1067391159.db2.gz FWWJKLYRCQYYBE-YLJYHZDGSA-N 2 1 394.991 3.897 20 0 GHADMP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001467684559 1067418643 /nfs/dbraw/zinc/41/86/43/1067418643.db2.gz SBEUQOOZISKZHT-VWPQPMDRSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001467684559 1067418653 /nfs/dbraw/zinc/41/86/53/1067418653.db2.gz SBEUQOOZISKZHT-VWPQPMDRSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001467684559 1067418659 /nfs/dbraw/zinc/41/86/59/1067418659.db2.gz SBEUQOOZISKZHT-VWPQPMDRSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC001467766369 1067459003 /nfs/dbraw/zinc/45/90/03/1067459003.db2.gz GEIUEPNDCJVARU-FCHUYYIVSA-N 2 1 388.600 3.831 20 0 GHADMP CC(C)(C)OC(=O)C1(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC001473436733 1067557423 /nfs/dbraw/zinc/55/74/23/1067557423.db2.gz RGBMZSBBFIIFNV-OYRHEFFESA-N 2 1 384.564 3.952 20 0 GHADMP CC(C)(C)OC(=O)C1(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC001473436733 1067557429 /nfs/dbraw/zinc/55/74/29/1067557429.db2.gz RGBMZSBBFIIFNV-OYRHEFFESA-N 2 1 384.564 3.952 20 0 GHADMP CC(C)(C)OC(=O)C1(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC001473436733 1067557435 /nfs/dbraw/zinc/55/74/35/1067557435.db2.gz RGBMZSBBFIIFNV-OYRHEFFESA-N 2 1 384.564 3.952 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001468057882 1067582927 /nfs/dbraw/zinc/58/29/27/1067582927.db2.gz NQRLIYNWJBRNFG-QHCPKHFHSA-N 2 1 392.547 3.658 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001468057882 1067582932 /nfs/dbraw/zinc/58/29/32/1067582932.db2.gz NQRLIYNWJBRNFG-QHCPKHFHSA-N 2 1 392.547 3.658 20 0 GHADMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)Nc1ccccc1 ZINC000849109656 1067732580 /nfs/dbraw/zinc/73/25/80/1067732580.db2.gz CKXRXNMAUOXLIO-HXUWFJFHSA-N 2 1 378.520 3.552 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C ZINC001468444250 1067732986 /nfs/dbraw/zinc/73/29/86/1067732986.db2.gz SABFPQKAURQWHB-PWRODBHTSA-N 2 1 394.648 3.896 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122438 1067738101 /nfs/dbraw/zinc/73/81/01/1067738101.db2.gz GFKKHXXWHXYWJY-BJESRGMDSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122438 1067738109 /nfs/dbraw/zinc/73/81/09/1067738109.db2.gz GFKKHXXWHXYWJY-BJESRGMDSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122438 1067738116 /nfs/dbraw/zinc/73/81/16/1067738116.db2.gz GFKKHXXWHXYWJY-BJESRGMDSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122438 1067738121 /nfs/dbraw/zinc/73/81/21/1067738121.db2.gz GFKKHXXWHXYWJY-BJESRGMDSA-N 2 1 390.527 3.800 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001468974084 1067941483 /nfs/dbraw/zinc/94/14/83/1067941483.db2.gz HWOYGCWIOWTEOG-JOCHJYFZSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001468974084 1067941484 /nfs/dbraw/zinc/94/14/84/1067941484.db2.gz HWOYGCWIOWTEOG-JOCHJYFZSA-N 2 1 397.567 3.524 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001469754809 1068362784 /nfs/dbraw/zinc/36/27/84/1068362784.db2.gz WBTDHZOQWGTBJE-JQVVWYNYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001469754809 1068362796 /nfs/dbraw/zinc/36/27/96/1068362796.db2.gz WBTDHZOQWGTBJE-JQVVWYNYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001469754809 1068362809 /nfs/dbraw/zinc/36/28/09/1068362809.db2.gz WBTDHZOQWGTBJE-JQVVWYNYSA-N 2 1 390.616 3.736 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514795 1068984116 /nfs/dbraw/zinc/98/41/16/1068984116.db2.gz PMWGSMWRSKULHY-FGZHOGPDSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514795 1068984121 /nfs/dbraw/zinc/98/41/21/1068984121.db2.gz PMWGSMWRSKULHY-FGZHOGPDSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514795 1068984125 /nfs/dbraw/zinc/98/41/25/1068984125.db2.gz PMWGSMWRSKULHY-FGZHOGPDSA-N 2 1 387.568 3.724 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC001478599136 1078930128 /nfs/dbraw/zinc/93/01/28/1078930128.db2.gz GTHNQTQVPDKATI-PMOQBDJRSA-N 2 1 394.563 3.685 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC001478599136 1078930130 /nfs/dbraw/zinc/93/01/30/1078930130.db2.gz GTHNQTQVPDKATI-PMOQBDJRSA-N 2 1 394.563 3.685 20 0 GHADMP CN(C(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001470825209 1072757109 /nfs/dbraw/zinc/75/71/09/1072757109.db2.gz WPYJYENMMIMYDB-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001470825209 1072757121 /nfs/dbraw/zinc/75/71/21/1072757121.db2.gz WPYJYENMMIMYDB-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001470825209 1072757128 /nfs/dbraw/zinc/75/71/28/1072757128.db2.gz WPYJYENMMIMYDB-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001470825207 1072757385 /nfs/dbraw/zinc/75/73/85/1072757385.db2.gz WPYJYENMMIMYDB-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001470825207 1072757387 /nfs/dbraw/zinc/75/73/87/1072757387.db2.gz WPYJYENMMIMYDB-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001470825207 1072757391 /nfs/dbraw/zinc/75/73/91/1072757391.db2.gz WPYJYENMMIMYDB-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471043837 1072901103 /nfs/dbraw/zinc/90/11/03/1072901103.db2.gz ALESTOAYDRYBPP-PUHATCMVSA-N 2 1 398.595 3.699 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001471062658 1072910211 /nfs/dbraw/zinc/91/02/11/1072910211.db2.gz CRFQOQLMPFVKRK-GOTSBHOMSA-N 2 1 379.548 3.850 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001471062658 1072910217 /nfs/dbraw/zinc/91/02/17/1072910217.db2.gz CRFQOQLMPFVKRK-GOTSBHOMSA-N 2 1 379.548 3.850 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001471313721 1073013449 /nfs/dbraw/zinc/01/34/49/1073013449.db2.gz FKSTXYNZJDXBFD-DNQXCXABSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001471313721 1073013460 /nfs/dbraw/zinc/01/34/60/1073013460.db2.gz FKSTXYNZJDXBFD-DNQXCXABSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001471313721 1073013471 /nfs/dbraw/zinc/01/34/71/1073013471.db2.gz FKSTXYNZJDXBFD-DNQXCXABSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)cc1 ZINC001471315244 1073014279 /nfs/dbraw/zinc/01/42/79/1073014279.db2.gz PCDQUIRNBZTWRE-HSZRJFAPSA-N 2 1 377.532 3.595 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CCC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC001472547674 1073544883 /nfs/dbraw/zinc/54/48/83/1073544883.db2.gz FSVJNMIQLAOGNZ-YJBOKZPZSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC001472547674 1073544897 /nfs/dbraw/zinc/54/48/97/1073544897.db2.gz FSVJNMIQLAOGNZ-YJBOKZPZSA-N 2 1 385.474 3.689 20 0 GHADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001473273576 1073901876 /nfs/dbraw/zinc/90/18/76/1073901876.db2.gz QFQGHZVMJAUPED-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[C@H](C)[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001473273576 1073901882 /nfs/dbraw/zinc/90/18/82/1073901882.db2.gz QFQGHZVMJAUPED-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[C@H](C)[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001473273576 1073901883 /nfs/dbraw/zinc/90/18/83/1073901883.db2.gz QFQGHZVMJAUPED-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1)CC(C)C ZINC001473302840 1073912895 /nfs/dbraw/zinc/91/28/95/1073912895.db2.gz ATQLYFNABLEZFE-UHFFFAOYSA-N 2 1 395.538 3.661 20 0 GHADMP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001473341916 1073927350 /nfs/dbraw/zinc/92/73/50/1073927350.db2.gz IQIIKKHKPFVEQK-HNNXBMFYSA-N 2 1 382.533 3.817 20 0 GHADMP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001473341916 1073927355 /nfs/dbraw/zinc/92/73/55/1073927355.db2.gz IQIIKKHKPFVEQK-HNNXBMFYSA-N 2 1 382.533 3.817 20 0 GHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC001473343962 1073928250 /nfs/dbraw/zinc/92/82/50/1073928250.db2.gz XGSZBSCKIGCFPI-RIFZZMRRSA-N 2 1 393.453 3.857 20 0 GHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC001473343962 1073928252 /nfs/dbraw/zinc/92/82/52/1073928252.db2.gz XGSZBSCKIGCFPI-RIFZZMRRSA-N 2 1 393.453 3.857 20 0 GHADMP C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473807384 1074153710 /nfs/dbraw/zinc/15/37/10/1074153710.db2.gz VUCQOJJBHUSWEZ-DBXWQHBBSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473807384 1074153715 /nfs/dbraw/zinc/15/37/15/1074153715.db2.gz VUCQOJJBHUSWEZ-DBXWQHBBSA-N 2 1 391.987 3.961 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC001473935854 1074210108 /nfs/dbraw/zinc/21/01/08/1074210108.db2.gz GADAPTNHWBBHFR-DHLKQENFSA-N 2 1 399.623 3.899 20 0 GHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1-n1cncn1 ZINC001474019283 1074237703 /nfs/dbraw/zinc/23/77/03/1074237703.db2.gz UVBWTYLLXMCYMW-NQIIRXRSSA-N 2 1 381.549 3.810 20 0 GHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1-n1cncn1 ZINC001474019283 1074237709 /nfs/dbraw/zinc/23/77/09/1074237709.db2.gz UVBWTYLLXMCYMW-NQIIRXRSSA-N 2 1 381.549 3.810 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC001474184982 1074286141 /nfs/dbraw/zinc/28/61/41/1074286141.db2.gz LGLPHXODDPEAPT-TZIWHRDSSA-N 2 1 398.576 3.639 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC001474184982 1074286150 /nfs/dbraw/zinc/28/61/50/1074286150.db2.gz LGLPHXODDPEAPT-TZIWHRDSSA-N 2 1 398.576 3.639 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(Br)c2C)C1 ZINC001474349377 1074357170 /nfs/dbraw/zinc/35/71/70/1074357170.db2.gz QUUKEIRTHAEXEF-SFHVURJKSA-N 2 1 383.374 3.999 20 0 GHADMP OCCCCOc1ccccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001474516184 1074443717 /nfs/dbraw/zinc/44/37/17/1074443717.db2.gz ANHIVOIJWKTJTM-VWLOTQADSA-N 2 1 394.559 3.936 20 0 GHADMP OCCCCOc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001474516184 1074443720 /nfs/dbraw/zinc/44/37/20/1074443720.db2.gz ANHIVOIJWKTJTM-VWLOTQADSA-N 2 1 394.559 3.936 20 0 GHADMP OCCCCOc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001474516184 1074443722 /nfs/dbraw/zinc/44/37/22/1074443722.db2.gz ANHIVOIJWKTJTM-VWLOTQADSA-N 2 1 394.559 3.936 20 0 GHADMP OCCCCOc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001474516184 1074443726 /nfs/dbraw/zinc/44/37/26/1074443726.db2.gz ANHIVOIJWKTJTM-VWLOTQADSA-N 2 1 394.559 3.936 20 0 GHADMP OCCCCOc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001474516184 1074443732 /nfs/dbraw/zinc/44/37/32/1074443732.db2.gz ANHIVOIJWKTJTM-VWLOTQADSA-N 2 1 394.559 3.936 20 0 GHADMP O[C@H](CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)COCc1ccccc1 ZINC001474651516 1074500171 /nfs/dbraw/zinc/50/01/71/1074500171.db2.gz RNMJTLUSWGJYBB-OJJQZRKESA-N 2 1 394.559 3.597 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC001476294234 1075118307 /nfs/dbraw/zinc/11/83/07/1075118307.db2.gz OHUIBZRJDDPHCT-PMACEKPBSA-N 2 1 386.584 3.907 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccnc1-c1ccccc1 ZINC001476306811 1075121311 /nfs/dbraw/zinc/12/13/11/1075121311.db2.gz DBSIVNIRAQKCJU-HXUWFJFHSA-N 2 1 395.551 3.628 20 0 GHADMP CC[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C ZINC001495863169 1079432416 /nfs/dbraw/zinc/43/24/16/1079432416.db2.gz AQOISIDSYFLCSV-PMACEKPBSA-N 2 1 390.620 3.585 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000820703500 606408768 /nfs/dbraw/zinc/40/87/68/606408768.db2.gz GKEQOSLNMXBCQQ-HNNXBMFYSA-N 2 1 382.537 3.592 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164682376 719612600 /nfs/dbraw/zinc/61/26/00/719612600.db2.gz CRRCXOXDVYZWHS-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164682376 719612607 /nfs/dbraw/zinc/61/26/07/719612607.db2.gz CRRCXOXDVYZWHS-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP FC1(F)CCN(c2cc3[nH]ccc3c[nH+]2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905539 721587209 /nfs/dbraw/zinc/58/72/09/721587209.db2.gz JTESGAMWYNQJSX-FQEVSTJZSA-N 2 1 383.446 3.696 20 0 GHADMP CCOc1cc[nH+]c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1 ZINC001165022343 721840856 /nfs/dbraw/zinc/84/08/56/721840856.db2.gz RGLMRDIWRUVCIF-UHFFFAOYSA-N 2 1 385.508 3.598 20 0 GHADMP CC1CCC(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000431773892 837437600 /nfs/dbraw/zinc/43/76/00/837437600.db2.gz QCKYHJIEQRBWFL-UHFFFAOYSA-N 2 1 392.632 3.650 20 0 GHADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057888648 837477659 /nfs/dbraw/zinc/47/76/59/837477659.db2.gz SAFHECNQRBSHII-UHFFFAOYSA-N 2 1 398.016 3.948 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OCc1ccccc1 ZINC000655682568 837598273 /nfs/dbraw/zinc/59/82/73/837598273.db2.gz HGTZCQBYVNIWDR-QFIPXVFZSA-N 2 1 396.531 3.617 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000655689427 837609777 /nfs/dbraw/zinc/60/97/77/837609777.db2.gz DJVMSMGDMVRCHY-CYFREDJKSA-N 2 1 395.547 3.955 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691714 837674285 /nfs/dbraw/zinc/67/42/85/837674285.db2.gz GKNIXKJOYLVMPW-OTPAQWSUSA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691714 837674294 /nfs/dbraw/zinc/67/42/94/837674294.db2.gz GKNIXKJOYLVMPW-OTPAQWSUSA-N 2 1 399.623 3.898 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414393238 837679456 /nfs/dbraw/zinc/67/94/56/837679456.db2.gz NLQPELAZFJDYQR-HTAPYJJXSA-N 2 1 388.531 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414393238 837679459 /nfs/dbraw/zinc/67/94/59/837679459.db2.gz NLQPELAZFJDYQR-HTAPYJJXSA-N 2 1 388.531 3.546 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC1CCCC1 ZINC000655709164 837701498 /nfs/dbraw/zinc/70/14/98/837701498.db2.gz UAQUGZSDXGMOIO-OAQYLSRUSA-N 2 1 388.552 3.750 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2)CC1 ZINC000655717242 837727933 /nfs/dbraw/zinc/72/79/33/837727933.db2.gz YTDBACUJNVDADT-XMMPIXPASA-N 3 1 385.596 3.652 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)c2)CC1 ZINC000655717242 837727941 /nfs/dbraw/zinc/72/79/41/837727941.db2.gz YTDBACUJNVDADT-XMMPIXPASA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000655723523 837740139 /nfs/dbraw/zinc/74/01/39/837740139.db2.gz PCKQEVTXTUIFFU-UZLBHIALSA-N 2 1 376.516 3.909 20 0 GHADMP COc1ccc2oc([C@H](C)[NH2+]Cc3ccncc3OCC[NH+](C)C)c(C)c2c1 ZINC000583463488 834417256 /nfs/dbraw/zinc/41/72/56/834417256.db2.gz DFCCOIPHHGXFFK-INIZCTEOSA-N 2 1 383.492 3.936 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000118770742 834433642 /nfs/dbraw/zinc/43/36/42/834433642.db2.gz HOGXRCLNVZAEJO-LJQANCHMSA-N 2 1 391.515 3.889 20 0 GHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655736954 837780202 /nfs/dbraw/zinc/78/02/02/837780202.db2.gz ITNIFDHPMUWUEP-KDOFPFPSSA-N 2 1 399.348 3.752 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3Cl)C2)C1 ZINC000650706422 834537615 /nfs/dbraw/zinc/53/76/15/834537615.db2.gz KBJCQACJVQWZGW-UNEWFSDZSA-N 2 1 387.749 3.821 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC3(C2)CCCCC3)CC1 ZINC000579775842 834636607 /nfs/dbraw/zinc/63/66/07/834636607.db2.gz VJQAKPHRVVHBIU-UHFFFAOYSA-N 2 1 383.580 3.732 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066080 834664775 /nfs/dbraw/zinc/66/47/75/834664775.db2.gz YZYDBIMUCJZBGZ-QPPBQGQZSA-N 2 1 378.564 3.997 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650724860 834717633 /nfs/dbraw/zinc/71/76/33/834717633.db2.gz NOXKPHLRHDJEJL-NNWRFLSQSA-N 2 1 380.536 3.710 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000140014106 834769621 /nfs/dbraw/zinc/76/96/21/834769621.db2.gz DNVHWEUHSSPDIZ-NRFANRHFSA-N 2 1 398.551 3.758 20 0 GHADMP COc1cc2ccc([C@H](C)[NH2+]CC3CCN(CC[NH+](C)C)CC3)cc2cc1OC ZINC000657872535 834811845 /nfs/dbraw/zinc/81/18/45/834811845.db2.gz QWQNEGBKNUTBNE-SFHVURJKSA-N 2 1 399.579 3.781 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000246165171 834819486 /nfs/dbraw/zinc/81/94/86/834819486.db2.gz AQCLUDOHWMTEFR-LSWJPFSZSA-N 2 1 379.548 3.693 20 0 GHADMP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000547643503 834820009 /nfs/dbraw/zinc/82/00/09/834820009.db2.gz CJWJWLCTIVWKSF-IBGZPJMESA-N 2 1 379.976 3.728 20 0 GHADMP CC(C)Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000547643503 834820013 /nfs/dbraw/zinc/82/00/13/834820013.db2.gz CJWJWLCTIVWKSF-IBGZPJMESA-N 2 1 379.976 3.728 20 0 GHADMP CC(CN1CCC[NH+](C2CCCC2)CC1)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172584129 834846331 /nfs/dbraw/zinc/84/63/31/834846331.db2.gz YAXPXDUGLHGVPN-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CN1CCC[N@@H+](C2CCCC2)CC1)C[NH+]1CCCN(C2CCCC2)CC1 ZINC000172584129 834846345 /nfs/dbraw/zinc/84/63/45/834846345.db2.gz YAXPXDUGLHGVPN-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CN1CCC[N@H+](C2CCCC2)CC1)C[NH+]1CCCN(C2CCCC2)CC1 ZINC000172584129 834846354 /nfs/dbraw/zinc/84/63/54/834846354.db2.gz YAXPXDUGLHGVPN-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CN1CCC[NH+](C2CCCC2)CC1)C[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000172584129 834846364 /nfs/dbraw/zinc/84/63/64/834846364.db2.gz YAXPXDUGLHGVPN-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CN1CCC[NH+](C2CCCC2)CC1)C[N@H+]1CCCN(C2CCCC2)CC1 ZINC000172584129 834846375 /nfs/dbraw/zinc/84/63/75/834846375.db2.gz YAXPXDUGLHGVPN-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000657881520 834888294 /nfs/dbraw/zinc/88/82/94/834888294.db2.gz SZWWBCQCLXWLQL-MOPGFXCFSA-N 2 1 383.374 3.597 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000472299087 834915727 /nfs/dbraw/zinc/91/57/27/834915727.db2.gz XNANWEGAKKEJFK-MAUKXSAKSA-N 2 1 392.931 3.884 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000472299087 834915732 /nfs/dbraw/zinc/91/57/32/834915732.db2.gz XNANWEGAKKEJFK-MAUKXSAKSA-N 2 1 392.931 3.884 20 0 GHADMP C[NH+](C)Cc1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000655757904 837822905 /nfs/dbraw/zinc/82/29/05/837822905.db2.gz MGSUTHNDQZUEOM-SFHVURJKSA-N 2 1 396.373 3.566 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511286077 834994954 /nfs/dbraw/zinc/99/49/54/834994954.db2.gz LCEHQYDZHMVXIE-FGNUKQJGSA-N 2 1 390.616 3.545 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000685442076 835012361 /nfs/dbraw/zinc/01/23/61/835012361.db2.gz QEKLYBOUGVVKBQ-TZRRMPRUSA-N 2 1 380.532 3.632 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)s2)cc1 ZINC000685457401 835022505 /nfs/dbraw/zinc/02/25/05/835022505.db2.gz BLWBIICNGMWETC-FQEVSTJZSA-N 2 1 384.593 3.719 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(N(C)c2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000685454661 835026148 /nfs/dbraw/zinc/02/61/48/835026148.db2.gz PFHOXZKEJRYDCG-UHFFFAOYSA-N 2 1 380.580 3.912 20 0 GHADMP Brc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)sc1Br ZINC000227846846 835061274 /nfs/dbraw/zinc/06/12/74/835061274.db2.gz HRXIGRGRWPBVMG-NXEZZACHSA-N 2 1 394.176 3.990 20 0 GHADMP Brc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)sc1Br ZINC000227846846 835061288 /nfs/dbraw/zinc/06/12/88/835061288.db2.gz HRXIGRGRWPBVMG-NXEZZACHSA-N 2 1 394.176 3.990 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3cc(Cl)ccc3C)CC2)CC1 ZINC000655114143 835173291 /nfs/dbraw/zinc/17/32/91/835173291.db2.gz UOIOMWZYIQIDFY-UHFFFAOYSA-N 2 1 377.960 3.808 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658066971 835406058 /nfs/dbraw/zinc/40/60/58/835406058.db2.gz IELKUBIEWJWGKX-GOSISDBHSA-N 3 1 382.552 3.722 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000612048155 835436005 /nfs/dbraw/zinc/43/60/05/835436005.db2.gz YRWJMVYVZAZMBF-FQEVSTJZSA-N 2 1 375.601 3.612 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658142871 835453125 /nfs/dbraw/zinc/45/31/25/835453125.db2.gz ZMAHFTMQAGXVRT-ZLNRFVROSA-N 2 1 379.548 3.773 20 0 GHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658140882 835467412 /nfs/dbraw/zinc/46/74/12/835467412.db2.gz VTLQVAWTKZOJIE-RPWUZVMVSA-N 2 1 382.548 3.584 20 0 GHADMP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ncc[nH]2)cc1 ZINC000658167510 835482719 /nfs/dbraw/zinc/48/27/19/835482719.db2.gz SJPLTJBFHPCKDF-OAQYLSRUSA-N 2 1 379.483 3.535 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](CC)CC)cc1 ZINC000458792609 835559147 /nfs/dbraw/zinc/55/91/47/835559147.db2.gz LNBCNSDNGCLHAK-BWAGFHJFSA-N 2 1 388.600 3.614 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000154448761 835673969 /nfs/dbraw/zinc/67/39/69/835673969.db2.gz CNJJJVPGOYYUFQ-INIZCTEOSA-N 2 1 398.389 3.526 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)CC1 ZINC000584240651 835800965 /nfs/dbraw/zinc/80/09/65/835800965.db2.gz NPEWWNGVVSXFEE-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000151770106 835833202 /nfs/dbraw/zinc/83/32/02/835833202.db2.gz BYVSCAZDYVCUHM-ZDUSSCGKSA-N 2 1 390.413 3.752 20 0 GHADMP Cn1cc([C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2cccc(F)c2)cn1 ZINC000180425208 836168476 /nfs/dbraw/zinc/16/84/76/836168476.db2.gz ACDMMHVIQQLIMZ-QHCPKHFHSA-N 2 1 396.510 3.769 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)C3=CCCCC3)CC2)CC1 ZINC000569942152 836194381 /nfs/dbraw/zinc/19/43/81/836194381.db2.gz YYZQIIGYDKUCKK-UHFFFAOYSA-N 2 1 375.601 3.826 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275115742 836300974 /nfs/dbraw/zinc/30/09/74/836300974.db2.gz YXVQVKLYSFMRBR-AZUAARDMSA-N 2 1 397.567 3.744 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000612583901 836441503 /nfs/dbraw/zinc/44/15/03/836441503.db2.gz DHGZAODLNDZMTR-OYRHEFFESA-N 2 1 392.632 3.652 20 0 GHADMP C[N@H+](CC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)Cc1ccccc1 ZINC000473494810 844182943 /nfs/dbraw/zinc/18/29/43/844182943.db2.gz IQMNDOIXYJDMSU-VWLOTQADSA-N 2 1 391.559 3.633 20 0 GHADMP C[N@@H+](CC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)Cc1ccccc1 ZINC000473494810 844182948 /nfs/dbraw/zinc/18/29/48/844182948.db2.gz IQMNDOIXYJDMSU-VWLOTQADSA-N 2 1 391.559 3.633 20 0 GHADMP C[NH+](CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Cc1ccccc1 ZINC000473494810 844182956 /nfs/dbraw/zinc/18/29/56/844182956.db2.gz IQMNDOIXYJDMSU-VWLOTQADSA-N 2 1 391.559 3.633 20 0 GHADMP C[NH+](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)Cc1ccccc1 ZINC000473494810 844182965 /nfs/dbraw/zinc/18/29/65/844182965.db2.gz IQMNDOIXYJDMSU-VWLOTQADSA-N 2 1 391.559 3.633 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@H](c4ccccc4C)C3)CC2)CC1 ZINC000570294351 836657115 /nfs/dbraw/zinc/65/71/15/836657115.db2.gz UOLDHDNDYQYHFE-MEMLXQNLSA-N 2 1 383.580 3.554 20 0 GHADMP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000414258920 836785794 /nfs/dbraw/zinc/78/57/94/836785794.db2.gz XVGCCGADJPMGMW-FXOREOJDSA-N 2 1 394.563 3.766 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000175391084 836812517 /nfs/dbraw/zinc/81/25/17/836812517.db2.gz DMNVGUUZHQIIAJ-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(C[NH+](C)C)cc3F)CC2)cs1 ZINC000413937410 836859103 /nfs/dbraw/zinc/85/91/03/836859103.db2.gz JBEZTRBEGVLKIC-UHFFFAOYSA-N 2 1 390.528 3.503 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431697901 836906819 /nfs/dbraw/zinc/90/68/19/836906819.db2.gz JYEOXVAGTVSBJU-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000431697901 836906821 /nfs/dbraw/zinc/90/68/21/836906821.db2.gz JYEOXVAGTVSBJU-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000431697901 836906826 /nfs/dbraw/zinc/90/68/26/836906826.db2.gz JYEOXVAGTVSBJU-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476561 837002280 /nfs/dbraw/zinc/00/22/80/837002280.db2.gz JIQWRXYBZXMXOF-NHCUHLMSSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476561 837002288 /nfs/dbraw/zinc/00/22/88/837002288.db2.gz JIQWRXYBZXMXOF-NHCUHLMSSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476561 837002299 /nfs/dbraw/zinc/00/22/99/837002299.db2.gz JIQWRXYBZXMXOF-NHCUHLMSSA-N 2 1 391.559 3.819 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275420983 837012937 /nfs/dbraw/zinc/01/29/37/837012937.db2.gz DRXBZCBDMBROKB-HXGJMTJLSA-N 2 1 382.552 3.510 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275420983 837012947 /nfs/dbraw/zinc/01/29/47/837012947.db2.gz DRXBZCBDMBROKB-HXGJMTJLSA-N 2 1 382.552 3.510 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275420994 837013265 /nfs/dbraw/zinc/01/32/65/837013265.db2.gz DRXBZCBDMBROKB-UXYIHQQYSA-N 2 1 382.552 3.510 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275420994 837013270 /nfs/dbraw/zinc/01/32/70/837013270.db2.gz DRXBZCBDMBROKB-UXYIHQQYSA-N 2 1 382.552 3.510 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2c1C ZINC000052279711 844241783 /nfs/dbraw/zinc/24/17/83/844241783.db2.gz PJMWYKQPNFZJQF-DLBZAZTESA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@H+]4CCCC[C@H]34)c2c1C ZINC000052279711 844241788 /nfs/dbraw/zinc/24/17/88/844241788.db2.gz PJMWYKQPNFZJQF-DLBZAZTESA-N 2 1 385.581 3.943 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000431731600 837209085 /nfs/dbraw/zinc/20/90/85/837209085.db2.gz ZLGOUTJXGVKBNV-TZIWHRDSSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)[C@H](C)C1 ZINC000414345660 837257695 /nfs/dbraw/zinc/25/76/95/837257695.db2.gz FABUKYPCFQTYOW-OXQOHEQNSA-N 2 1 394.401 3.733 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@H]3Sc4ccccc4NC3=O)C2)CC1 ZINC000659864181 837903692 /nfs/dbraw/zinc/90/36/92/837903692.db2.gz KBFHELKPWLRWED-GHTZIAJQSA-N 2 1 387.593 3.933 20 0 GHADMP Fc1ccc(Oc2cccc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)n2)cc1 ZINC000655793176 837914742 /nfs/dbraw/zinc/91/47/42/837914742.db2.gz VOIIVXVTKYPLPH-OAQYLSRUSA-N 2 1 385.483 3.746 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)cc21 ZINC000659284293 838209566 /nfs/dbraw/zinc/20/95/66/838209566.db2.gz CZUDOAIDYKPQPH-LJQANCHMSA-N 2 1 395.572 3.866 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000415904047 838257639 /nfs/dbraw/zinc/25/76/39/838257639.db2.gz FTSOGGJHQXLEBW-GOSISDBHSA-N 2 1 386.565 3.891 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312589875 838274000 /nfs/dbraw/zinc/27/40/00/838274000.db2.gz DMDJEWPEIDHFSD-UYAOXDASSA-N 2 1 386.561 3.653 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000415920293 838278720 /nfs/dbraw/zinc/27/87/20/838278720.db2.gz OOSTYJMDTLDPSP-JOCHJYFZSA-N 2 1 380.536 3.828 20 0 GHADMP Cc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000378015996 838283327 /nfs/dbraw/zinc/28/33/27/838283327.db2.gz CPRVHJHHETWEFO-UHFFFAOYSA-N 2 1 386.584 3.963 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415930590 838288541 /nfs/dbraw/zinc/28/85/41/838288541.db2.gz AOZPMGPKYLVTDA-GOSISDBHSA-N 2 1 396.535 3.720 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C2)C1 ZINC000458089245 844315386 /nfs/dbraw/zinc/31/53/86/844315386.db2.gz DMUWZYVHEGVFHC-XMMPIXPASA-N 2 1 398.595 3.690 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Br)cn3)CC2)nc(C)[nH+]1 ZINC000517210487 838328019 /nfs/dbraw/zinc/32/80/19/838328019.db2.gz DVDYSYRTLXZFDD-ZDUSSCGKSA-N 2 1 390.329 3.571 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000415982301 838349600 /nfs/dbraw/zinc/34/96/00/838349600.db2.gz KTGWERKZMQPNMB-FYYLOGMGSA-N 2 1 392.547 3.924 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415975417 838352531 /nfs/dbraw/zinc/35/25/31/838352531.db2.gz SXTHRXQIARDCIA-SFHVURJKSA-N 2 1 380.536 3.960 20 0 GHADMP Clc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000051957814 844376455 /nfs/dbraw/zinc/37/64/55/844376455.db2.gz CLEQXNIBECVAQQ-UHFFFAOYSA-N 2 1 375.900 3.539 20 0 GHADMP CCOc1ccc(F)c(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001143485787 838908513 /nfs/dbraw/zinc/90/85/13/838908513.db2.gz LCMRRNROEXNWJV-UHFFFAOYSA-N 2 1 382.495 3.688 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415032863 839095137 /nfs/dbraw/zinc/09/51/37/839095137.db2.gz BCMDWERARWJTTD-IRXDYDNUSA-N 2 1 386.458 3.990 20 0 GHADMP COc1cc(Br)c(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1O ZINC000415047596 839115501 /nfs/dbraw/zinc/11/55/01/839115501.db2.gz FAQJOWUCUHNOMH-INIZCTEOSA-N 2 1 379.298 3.733 20 0 GHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415068323 839156006 /nfs/dbraw/zinc/15/60/06/839156006.db2.gz MOHMLMRDYXSZBU-UHFFFAOYSA-N 2 1 390.325 3.655 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000415069695 839160582 /nfs/dbraw/zinc/16/05/82/839160582.db2.gz TVEAPCIFYKJEBL-HSZRJFAPSA-N 2 1 380.580 3.569 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415104183 839210074 /nfs/dbraw/zinc/21/00/74/839210074.db2.gz GSBRUDRBHQQDRZ-OAHLLOKOSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415104183 839210082 /nfs/dbraw/zinc/21/00/82/839210082.db2.gz GSBRUDRBHQQDRZ-OAHLLOKOSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000415108506 839217869 /nfs/dbraw/zinc/21/78/69/839217869.db2.gz MIUOLYHSTYQIDM-IRXDYDNUSA-N 2 1 387.749 3.821 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000415114588 839223491 /nfs/dbraw/zinc/22/34/91/839223491.db2.gz VWGGPSLZLCEXTO-QFIPXVFZSA-N 2 1 394.494 3.536 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000415114588 839223514 /nfs/dbraw/zinc/22/35/14/839223514.db2.gz VWGGPSLZLCEXTO-QFIPXVFZSA-N 2 1 394.494 3.536 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCCCc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000415130723 839259128 /nfs/dbraw/zinc/25/91/28/839259128.db2.gz RLUFZAMGLKYVJF-MRXNPFEDSA-N 2 1 382.339 3.703 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)c(Br)c3)CC2)C1 ZINC000415130739 839259391 /nfs/dbraw/zinc/25/93/91/839259391.db2.gz XMKCLRXDGFQUGA-YOEHRIQHSA-N 2 1 387.749 3.821 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000655353576 839331880 /nfs/dbraw/zinc/33/18/80/839331880.db2.gz UOSPIMDGVCJFCV-TYPHKJRUSA-N 2 1 384.568 3.626 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)c1 ZINC000275866897 839360391 /nfs/dbraw/zinc/36/03/91/839360391.db2.gz NQSNPKCPVMUKLB-QHCPKHFHSA-N 2 1 377.536 3.959 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)[C@@H](C)C1 ZINC000471605310 839953388 /nfs/dbraw/zinc/95/33/88/839953388.db2.gz GDMMVLBXOVXAQB-UWJYYQICSA-N 2 1 375.532 3.587 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)CC1 ZINC000580801083 840201839 /nfs/dbraw/zinc/20/18/39/840201839.db2.gz AUHGEQPYUCEZIA-KRWDZBQOSA-N 2 1 385.533 3.703 20 0 GHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000660428228 840279392 /nfs/dbraw/zinc/27/93/92/840279392.db2.gz BKPBJKSNFBCRGB-FQEVSTJZSA-N 2 1 383.517 3.736 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc3ccccc3c2)C2CC2)CC1 ZINC000511593383 840318772 /nfs/dbraw/zinc/31/87/72/840318772.db2.gz OYZMWCKBFAFKCD-UHFFFAOYSA-N 2 1 379.548 3.793 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)CC1 ZINC000511593383 840318786 /nfs/dbraw/zinc/31/87/86/840318786.db2.gz OYZMWCKBFAFKCD-UHFFFAOYSA-N 2 1 379.548 3.793 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000416974736 840332493 /nfs/dbraw/zinc/33/24/93/840332493.db2.gz LRPSIUZHQKTVGF-GCJKJVERSA-N 2 1 380.536 3.560 20 0 GHADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000580871011 840360142 /nfs/dbraw/zinc/36/01/42/840360142.db2.gz FBVXMZVDKVNUSH-NRFANRHFSA-N 2 1 396.535 3.825 20 0 GHADMP CC1(C)CN([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(Cl)cc2)CCO1 ZINC000246182086 844547020 /nfs/dbraw/zinc/54/70/20/844547020.db2.gz DDEHFEZIJHVOAO-PCCBWWKXSA-N 2 1 391.987 3.708 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000511618186 840718998 /nfs/dbraw/zinc/71/89/98/840718998.db2.gz PUMWPHXQYDQHDA-UHFFFAOYSA-N 2 1 375.532 3.559 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000581126701 840743164 /nfs/dbraw/zinc/74/31/64/840743164.db2.gz BBKRIXJRSHEBRP-QQKQFIJSSA-N 2 1 396.575 3.783 20 0 GHADMP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000417365724 840778011 /nfs/dbraw/zinc/77/80/11/840778011.db2.gz MJHPYNMYHLWCSK-IBGZPJMESA-N 2 1 392.613 3.511 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000473025842 840785781 /nfs/dbraw/zinc/78/57/81/840785781.db2.gz UBNFBUIQHWZIQV-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000473025843 840786174 /nfs/dbraw/zinc/78/61/74/840786174.db2.gz UBNFBUIQHWZIQV-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)C[C@@H]1OCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000511623732 840818507 /nfs/dbraw/zinc/81/85/07/840818507.db2.gz AQWDXZFUILFGIZ-VWLOTQADSA-N 2 1 393.575 3.963 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1)C1CC1 ZINC000511853069 840949081 /nfs/dbraw/zinc/94/90/81/840949081.db2.gz XQXLQRLHLYYELC-QFIPXVFZSA-N 2 1 383.511 3.843 20 0 GHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000584827900 841013696 /nfs/dbraw/zinc/01/36/96/841013696.db2.gz BRUDWTXZCROFPL-JOCHJYFZSA-N 2 1 392.547 3.884 20 0 GHADMP [NH3+][C@H](c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656469019 841052193 /nfs/dbraw/zinc/05/21/93/841052193.db2.gz YOGFFXXRNIETFV-KKSFZXQISA-N 2 1 399.901 3.641 20 0 GHADMP [NH3+][C@H](c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656469019 841052207 /nfs/dbraw/zinc/05/22/07/841052207.db2.gz YOGFFXXRNIETFV-KKSFZXQISA-N 2 1 399.901 3.641 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000430559812 841089393 /nfs/dbraw/zinc/08/93/93/841089393.db2.gz DWKAGHISHKRFNX-UHFFFAOYSA-N 2 1 375.538 3.552 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000581370577 841182431 /nfs/dbraw/zinc/18/24/31/841182431.db2.gz CZUTYRIFPZSTHL-RTBURBONSA-N 2 1 379.504 3.739 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000417839242 841218072 /nfs/dbraw/zinc/21/80/72/841218072.db2.gz NNMCBSBGQOMXEF-KGVIQGDOSA-N 2 1 380.536 3.559 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000417839249 841218274 /nfs/dbraw/zinc/21/82/74/841218274.db2.gz NNMCBSBGQOMXEF-SPEDKVCISA-N 2 1 380.536 3.559 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3C(=O)N(C)C)cc2)C1 ZINC000417862886 841229136 /nfs/dbraw/zinc/22/91/36/841229136.db2.gz DNZADEPGOTWHKE-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000417867973 841231868 /nfs/dbraw/zinc/23/18/68/841231868.db2.gz CIMQHUCYMOTWMN-UHFFFAOYSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001167458006 841253910 /nfs/dbraw/zinc/25/39/10/841253910.db2.gz OMRKRICQVNGYCJ-NRFANRHFSA-N 2 1 378.564 3.946 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000549524378 841270936 /nfs/dbraw/zinc/27/09/36/841270936.db2.gz JIZYMGISDOJDPB-UHFFFAOYSA-N 2 1 395.950 3.683 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc2ccccc2o1 ZINC000364175946 841300280 /nfs/dbraw/zinc/30/02/80/841300280.db2.gz JSNAYQMQEPPNKN-UHFFFAOYSA-N 2 1 383.536 3.701 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000418042419 841425779 /nfs/dbraw/zinc/42/57/79/841425779.db2.gz LOZQPHFGGOMFEK-WZONZLPQSA-N 2 1 380.536 3.560 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ncc2c1cccc2Br ZINC000191278475 841505223 /nfs/dbraw/zinc/50/52/23/841505223.db2.gz PHTRGTFQUPRHHO-UHFFFAOYSA-N 2 1 390.329 3.927 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ncc2c1cccc2Br ZINC000191278475 841505235 /nfs/dbraw/zinc/50/52/35/841505235.db2.gz PHTRGTFQUPRHHO-UHFFFAOYSA-N 2 1 390.329 3.927 20 0 GHADMP COCCC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(F)cc1 ZINC000282419773 861221748 /nfs/dbraw/zinc/22/17/48/861221748.db2.gz SOTOOAGGYZFQSG-NRFANRHFSA-N 2 1 386.515 3.959 20 0 GHADMP CCn1c2ccccc2nc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000759815916 841801519 /nfs/dbraw/zinc/80/15/19/841801519.db2.gz JJQJYLBDUVYDFM-UHFFFAOYSA-N 2 1 391.563 3.876 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000261929218 841849417 /nfs/dbraw/zinc/84/94/17/841849417.db2.gz CPZWIVGOMTURRG-UHFFFAOYSA-N 2 1 375.257 3.626 20 0 GHADMP COc1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000166218205 841992515 /nfs/dbraw/zinc/99/25/15/841992515.db2.gz SKYVRUVJWASIMM-DUXKGJEZSA-N 2 1 381.520 3.947 20 0 GHADMP CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)[C@@H](C)CCC[NH+](CC)CC)cn1 ZINC001167824013 842013441 /nfs/dbraw/zinc/01/34/41/842013441.db2.gz AVXUAEOUTDDDQO-SFHVURJKSA-N 2 1 388.604 3.766 20 0 GHADMP Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000647175430 842097000 /nfs/dbraw/zinc/09/70/00/842097000.db2.gz OIWPPLBMVNUFEM-FQEVSTJZSA-N 2 1 390.531 3.691 20 0 GHADMP Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000647175430 842097009 /nfs/dbraw/zinc/09/70/09/842097009.db2.gz OIWPPLBMVNUFEM-FQEVSTJZSA-N 2 1 390.531 3.691 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000684410369 842125495 /nfs/dbraw/zinc/12/54/95/842125495.db2.gz ROAZCRPHAUBLFY-LJQANCHMSA-N 2 1 376.504 3.697 20 0 GHADMP C(CCC[N@H+]1CC[C@@H](N2CCCCC2)C1)CC[NH+]1CC[C@H](N2CCCCC2)C1 ZINC000730808011 861295635 /nfs/dbraw/zinc/29/56/35/861295635.db2.gz FGURUAHKLGBYFS-PSWAGMNNSA-N 2 1 390.660 3.667 20 0 GHADMP C(CCC[N@@H+]1CC[C@H](N2CCCCC2)C1)CC[NH+]1CC[C@@H](N2CCCCC2)C1 ZINC000730808011 861295654 /nfs/dbraw/zinc/29/56/54/861295654.db2.gz FGURUAHKLGBYFS-PSWAGMNNSA-N 2 1 390.660 3.667 20 0 GHADMP C(CCC[N@H+]1CC[C@H](N2CCCCC2)C1)CC[NH+]1CC[C@@H](N2CCCCC2)C1 ZINC000730808011 861295674 /nfs/dbraw/zinc/29/56/74/861295674.db2.gz FGURUAHKLGBYFS-PSWAGMNNSA-N 2 1 390.660 3.667 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000652348748 842327091 /nfs/dbraw/zinc/32/70/91/842327091.db2.gz PNSUQZRZSZIOFX-KBAYOESNSA-N 2 1 375.900 3.713 20 0 GHADMP COc1cc(OC)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000178040005 861297808 /nfs/dbraw/zinc/29/78/08/861297808.db2.gz CUEKLKUCJYMSGH-XHSDSOJGSA-N 2 1 384.948 3.897 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000048776706 842349419 /nfs/dbraw/zinc/34/94/19/842349419.db2.gz OOBQVTYLQNSETL-UHFFFAOYSA-N 2 1 390.531 3.591 20 0 GHADMP Cc1ccc(Cl)cc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000510473778 842443412 /nfs/dbraw/zinc/44/34/12/842443412.db2.gz DSLHTPXRQHOWMI-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(Br)c(C)nn2C)c1 ZINC000279083791 842565932 /nfs/dbraw/zinc/56/59/32/842565932.db2.gz HLETWAGXROUDAZ-UHFFFAOYSA-N 2 1 379.346 3.623 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000247202794 842657237 /nfs/dbraw/zinc/65/72/37/842657237.db2.gz VDQFYRKUYZTFNH-UNIGVISCSA-N 2 1 390.881 3.651 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(-c4ccncc4)s3)CC2)C[C@H](C)O1 ZINC000512181783 842800392 /nfs/dbraw/zinc/80/03/92/842800392.db2.gz QIMGMIVBTNXQGM-CALCHBBNSA-N 2 1 386.565 3.526 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC[NH+](C)CC1 ZINC000606635528 842826779 /nfs/dbraw/zinc/82/67/79/842826779.db2.gz KPDVNCZBHAITQH-MOPGFXCFSA-N 2 1 386.584 3.591 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000471851066 842844657 /nfs/dbraw/zinc/84/46/57/842844657.db2.gz OTFRRIWPIYWJMI-DENIHFKCSA-N 2 1 383.511 3.826 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@H]([NH3+])c1ccccc1 ZINC000430789901 842987618 /nfs/dbraw/zinc/98/76/18/842987618.db2.gz YPVBGUGGGMKPFX-IDVKNYFZSA-N 2 1 381.520 3.570 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccc5c4CC[NH2+]C5)C3)n2)cc1 ZINC000662258384 843033343 /nfs/dbraw/zinc/03/33/43/843033343.db2.gz UFAMFNNDKNQJQF-LJQANCHMSA-N 2 1 392.478 3.901 20 0 GHADMP COc1cc(C[NH+](C)CC2=CCSC2)cc(C[N@@H+](C)CC2=CCSC2)c1 ZINC000662267318 843039249 /nfs/dbraw/zinc/03/92/49/843039249.db2.gz SVEFBNVIZRNEEN-UHFFFAOYSA-N 2 1 390.618 3.905 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548389030 843053732 /nfs/dbraw/zinc/05/37/32/843053732.db2.gz ZLSHXQOYAWVLED-QFIPXVFZSA-N 2 1 386.584 3.549 20 0 GHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389030 843053747 /nfs/dbraw/zinc/05/37/47/843053747.db2.gz ZLSHXQOYAWVLED-QFIPXVFZSA-N 2 1 386.584 3.549 20 0 GHADMP CC[NH+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389030 843053758 /nfs/dbraw/zinc/05/37/58/843053758.db2.gz ZLSHXQOYAWVLED-QFIPXVFZSA-N 2 1 386.584 3.549 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296000 843092376 /nfs/dbraw/zinc/09/23/76/843092376.db2.gz JSYOMCLDDIHVNB-NZSAHSFTSA-N 2 1 375.582 3.512 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C(C)C)cc1Cl ZINC000555598463 861381599 /nfs/dbraw/zinc/38/15/99/861381599.db2.gz VIWSWPMWQCMQBL-AVRDEDQJSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C(C)C)cc1Cl ZINC000555598463 861381613 /nfs/dbraw/zinc/38/16/13/861381613.db2.gz VIWSWPMWQCMQBL-AVRDEDQJSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C(C)C)cc1Cl ZINC000555598463 861381630 /nfs/dbraw/zinc/38/16/30/861381630.db2.gz VIWSWPMWQCMQBL-AVRDEDQJSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C(C)C)cc1Cl ZINC000555598463 861381640 /nfs/dbraw/zinc/38/16/40/861381640.db2.gz VIWSWPMWQCMQBL-AVRDEDQJSA-N 2 1 394.987 3.929 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1OC ZINC000662312731 843122815 /nfs/dbraw/zinc/12/28/15/843122815.db2.gz COGXAJGRUKVJAR-CZUORRHYSA-N 2 1 385.346 3.806 20 0 GHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314628 843129835 /nfs/dbraw/zinc/12/98/35/843129835.db2.gz PFWBFFQBNZPSTN-DYESRHJHSA-N 2 1 397.567 3.575 20 0 GHADMP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)n2)c1 ZINC000279553187 843132814 /nfs/dbraw/zinc/13/28/14/843132814.db2.gz RAADXFXFBIWTNZ-IRXDYDNUSA-N 2 1 394.523 3.527 20 0 GHADMP Clc1ccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c(Cl)c1 ZINC000662334939 843147560 /nfs/dbraw/zinc/14/75/60/843147560.db2.gz DWHGMJHPMALFLK-HNNXBMFYSA-N 2 1 394.350 3.506 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000673681638 861384729 /nfs/dbraw/zinc/38/47/29/861384729.db2.gz LBDQEBZHPQWFKO-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000673681638 861384740 /nfs/dbraw/zinc/38/47/40/861384740.db2.gz LBDQEBZHPQWFKO-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000673681638 861384752 /nfs/dbraw/zinc/38/47/52/861384752.db2.gz LBDQEBZHPQWFKO-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)nc1 ZINC000662328227 843155792 /nfs/dbraw/zinc/15/57/92/843155792.db2.gz ZSXKYRURIPUEKN-UHFFFAOYSA-N 2 1 393.457 3.670 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCCOc3ccccc3)CC2)CC1 ZINC000430913801 843165857 /nfs/dbraw/zinc/16/58/57/843165857.db2.gz YFNPMVXRFNUTQI-UHFFFAOYSA-N 2 1 387.612 3.974 20 0 GHADMP C[N@H+](CCCCOc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913801 843165864 /nfs/dbraw/zinc/16/58/64/843165864.db2.gz YFNPMVXRFNUTQI-UHFFFAOYSA-N 3 1 387.612 3.974 20 0 GHADMP C[N@@H+](CCCCOc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913801 843165870 /nfs/dbraw/zinc/16/58/70/843165870.db2.gz YFNPMVXRFNUTQI-UHFFFAOYSA-N 3 1 387.612 3.974 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662388915 843185296 /nfs/dbraw/zinc/18/52/96/843185296.db2.gz QERLRAPKGAHMDE-MBSDFSHPSA-N 2 1 377.532 3.769 20 0 GHADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000430928253 843185385 /nfs/dbraw/zinc/18/53/85/843185385.db2.gz KYAAAYCDFYMLCQ-SNVBAGLBSA-N 2 1 397.363 3.722 20 0 GHADMP COc1cccc(C(=O)N2CCC([N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)CC2)c1 ZINC001167885687 843221357 /nfs/dbraw/zinc/22/13/57/843221357.db2.gz WXFYDVCPUSCAOK-VXKWHMMOSA-N 2 1 399.579 3.639 20 0 GHADMP COc1cccc(C(=O)N2CCC([NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001167885687 843221367 /nfs/dbraw/zinc/22/13/67/843221367.db2.gz WXFYDVCPUSCAOK-VXKWHMMOSA-N 2 1 399.579 3.639 20 0 GHADMP COc1cccc(C(=O)N2CCC([NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001167885687 843221378 /nfs/dbraw/zinc/22/13/78/843221378.db2.gz WXFYDVCPUSCAOK-VXKWHMMOSA-N 2 1 399.579 3.639 20 0 GHADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262096064 843331840 /nfs/dbraw/zinc/33/18/40/843331840.db2.gz YXGVMOZBEWWIQD-AEFFLSMTSA-N 2 1 399.501 3.970 20 0 GHADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662505765 843350435 /nfs/dbraw/zinc/35/04/35/843350435.db2.gz QLUIFPOXZHKSRJ-SFTDATJTSA-N 2 1 397.567 3.588 20 0 GHADMP CCN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662501933 843354579 /nfs/dbraw/zinc/35/45/79/843354579.db2.gz HMZANAYPQDJVKY-AAIMPIBUSA-N 2 1 377.532 3.905 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1 ZINC000432665377 843385650 /nfs/dbraw/zinc/38/56/50/843385650.db2.gz CTBNEPUNHVLKCU-LJQANCHMSA-N 2 1 387.524 3.860 20 0 GHADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432670545 843388371 /nfs/dbraw/zinc/38/83/71/843388371.db2.gz MZQLVMAVGMFHQU-MISYRCLQSA-N 2 1 389.609 3.729 20 0 GHADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432670545 843388380 /nfs/dbraw/zinc/38/83/80/843388380.db2.gz MZQLVMAVGMFHQU-MISYRCLQSA-N 2 1 389.609 3.729 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000432675238 843427815 /nfs/dbraw/zinc/42/78/15/843427815.db2.gz JZGVXGHFCPYOLA-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000432675238 843427825 /nfs/dbraw/zinc/42/78/25/843427825.db2.gz JZGVXGHFCPYOLA-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000302947308 861419963 /nfs/dbraw/zinc/41/99/63/861419963.db2.gz CBJIZBIWERWWLH-QHCPKHFHSA-N 2 1 394.563 3.515 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000418648276 843502265 /nfs/dbraw/zinc/50/22/65/843502265.db2.gz HNESRLMNLKBQEE-NNMXDRDESA-N 2 1 386.584 3.545 20 0 GHADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000418696777 843543726 /nfs/dbraw/zinc/54/37/26/843543726.db2.gz MRFPWVBGXHZHEE-HXUWFJFHSA-N 2 1 394.563 3.621 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001167821223 843693574 /nfs/dbraw/zinc/69/35/74/843693574.db2.gz DJPUOJXAASVXRH-KZKAQZJJSA-N 2 1 389.584 3.731 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c(OC)c1 ZINC000092381010 843780452 /nfs/dbraw/zinc/78/04/52/843780452.db2.gz KMTXIPJZJXQIQM-UHFFFAOYSA-N 2 1 385.346 3.630 20 0 GHADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000500670365 843801979 /nfs/dbraw/zinc/80/19/79/843801979.db2.gz UNXPQNBBKOKPRR-DZOHQFGASA-N 2 1 399.501 3.703 20 0 GHADMP COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000433199828 843823061 /nfs/dbraw/zinc/82/30/61/843823061.db2.gz MXRAGOYNCLXOJI-FFZOFVMBSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000433199828 843823067 /nfs/dbraw/zinc/82/30/67/843823067.db2.gz MXRAGOYNCLXOJI-FFZOFVMBSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000433199828 843823075 /nfs/dbraw/zinc/82/30/75/843823075.db2.gz MXRAGOYNCLXOJI-FFZOFVMBSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)oc1C ZINC000433199828 843823083 /nfs/dbraw/zinc/82/30/83/843823083.db2.gz MXRAGOYNCLXOJI-FFZOFVMBSA-N 2 1 382.504 3.890 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CNc3cccc4c3OCC[C@H]4[NH+](C)C)sc2C1 ZINC000433203132 843827955 /nfs/dbraw/zinc/82/79/55/843827955.db2.gz AMFKRYUXDHNALT-GOSISDBHSA-N 2 1 386.565 3.907 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000391468580 843898323 /nfs/dbraw/zinc/89/83/23/843898323.db2.gz HQFKZYDEVFBGGX-HIFRSBDPSA-N 2 1 385.346 3.819 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000391468580 843898331 /nfs/dbraw/zinc/89/83/31/843898331.db2.gz HQFKZYDEVFBGGX-HIFRSBDPSA-N 2 1 385.346 3.819 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000391468582 843898412 /nfs/dbraw/zinc/89/84/12/843898412.db2.gz HQFKZYDEVFBGGX-ZFWWWQNUSA-N 2 1 385.346 3.819 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000391468582 843898414 /nfs/dbraw/zinc/89/84/14/843898414.db2.gz HQFKZYDEVFBGGX-ZFWWWQNUSA-N 2 1 385.346 3.819 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)NC1CCCCC1 ZINC000512621180 844765567 /nfs/dbraw/zinc/76/55/67/844765567.db2.gz VGTCXSDSQOAKIA-YMPZKCBVSA-N 2 1 383.580 3.716 20 0 GHADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000512624205 844817835 /nfs/dbraw/zinc/81/78/35/844817835.db2.gz ICEKSZASGGVYNB-CWBXHPNXSA-N 2 1 378.564 3.959 20 0 GHADMP C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000246650710 844870044 /nfs/dbraw/zinc/87/00/44/844870044.db2.gz ZDQOYUYBUPAPQX-MAUKXSAKSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000246650710 844870049 /nfs/dbraw/zinc/87/00/49/844870049.db2.gz ZDQOYUYBUPAPQX-MAUKXSAKSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000246650710 844870060 /nfs/dbraw/zinc/87/00/60/844870060.db2.gz ZDQOYUYBUPAPQX-MAUKXSAKSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000512662910 844982427 /nfs/dbraw/zinc/98/24/27/844982427.db2.gz CMZZEUCFTKKCLU-CALCHBBNSA-N 2 1 385.474 3.576 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000512662910 844982452 /nfs/dbraw/zinc/98/24/52/844982452.db2.gz CMZZEUCFTKKCLU-CALCHBBNSA-N 2 1 385.474 3.576 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000513204882 845046575 /nfs/dbraw/zinc/04/65/75/845046575.db2.gz WPHJCMZPMFHKRP-QIJUGHKUSA-N 2 1 377.532 3.714 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000513204882 845046616 /nfs/dbraw/zinc/04/66/16/845046616.db2.gz WPHJCMZPMFHKRP-QIJUGHKUSA-N 2 1 377.532 3.714 20 0 GHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512704109 845100378 /nfs/dbraw/zinc/10/03/78/845100378.db2.gz WVZWDJRZMXITKN-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000645127881 845195011 /nfs/dbraw/zinc/19/50/11/845195011.db2.gz CHKRVQKODROZSQ-UGKGYDQZSA-N 2 1 399.579 3.544 20 0 GHADMP CC[NH+]1CCC([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411304332 845247589 /nfs/dbraw/zinc/24/75/89/845247589.db2.gz HUSUKMYUHCSATP-JOCHJYFZSA-N 2 1 385.577 3.760 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411304332 845247602 /nfs/dbraw/zinc/24/76/02/845247602.db2.gz HUSUKMYUHCSATP-JOCHJYFZSA-N 2 1 385.577 3.760 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000728940904 845346607 /nfs/dbraw/zinc/34/66/07/845346607.db2.gz YLMLBBIVUHSNAD-FQEVSTJZSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H](CO)[N@H+]1CCCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000433802192 845405440 /nfs/dbraw/zinc/40/54/40/845405440.db2.gz HRSTXWUYVCWYJS-SFHVURJKSA-N 2 1 377.488 3.920 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000411480505 845508901 /nfs/dbraw/zinc/50/89/01/845508901.db2.gz VXXOTJSEQXRVOH-INIZCTEOSA-N 2 1 380.467 3.629 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000411549651 845580612 /nfs/dbraw/zinc/58/06/12/845580612.db2.gz HXMUBQXGZKEFNT-AVRDEDQJSA-N 2 1 399.966 3.847 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000563210854 845918069 /nfs/dbraw/zinc/91/80/69/845918069.db2.gz SPMYZTHPXAUNJX-GOSISDBHSA-N 2 1 384.351 3.606 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@@H](C)C1 ZINC000481539796 861631732 /nfs/dbraw/zinc/63/17/32/861631732.db2.gz YVALPQSFDRAHLG-JTHBVZDNSA-N 2 1 388.596 3.770 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)cc1 ZINC000157736085 846153095 /nfs/dbraw/zinc/15/30/95/846153095.db2.gz NFGVNHPNRZDAOD-QZTJIDSGSA-N 2 1 391.519 3.652 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000502614595 846271691 /nfs/dbraw/zinc/27/16/91/846271691.db2.gz AAETXCOHZULOKZ-QNGMFEMESA-N 2 1 378.605 3.593 20 0 GHADMP Clc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC3 ZINC000655779660 846312288 /nfs/dbraw/zinc/31/22/88/846312288.db2.gz PWBJOSGPEWIMDJ-ZWKOTPCHSA-N 2 1 387.955 3.912 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]2CCC[C@H]21 ZINC000555716758 861673963 /nfs/dbraw/zinc/67/39/63/861673963.db2.gz YLZMIXCFFUSGEC-UXHICEINSA-N 2 1 387.593 3.684 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501030259 846548132 /nfs/dbraw/zinc/54/81/32/846548132.db2.gz VFHJWIIZIYAQNB-UHFFFAOYSA-N 2 1 394.563 3.667 20 0 GHADMP Cc1sc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1C ZINC000501069335 846600848 /nfs/dbraw/zinc/60/08/48/846600848.db2.gz OZRBWMBNSUURHB-UHFFFAOYSA-N 2 1 386.565 3.855 20 0 GHADMP O[C@H](CCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554583 846608403 /nfs/dbraw/zinc/60/84/03/846608403.db2.gz RIUBBPAFWWLDNH-JWQCQUIFSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@H](CCc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554583 846608408 /nfs/dbraw/zinc/60/84/08/846608408.db2.gz RIUBBPAFWWLDNH-JWQCQUIFSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@H](CCc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554583 846608420 /nfs/dbraw/zinc/60/84/20/846608420.db2.gz RIUBBPAFWWLDNH-JWQCQUIFSA-N 2 1 378.560 3.968 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C2CC2)c(F)c1 ZINC000421833007 846609815 /nfs/dbraw/zinc/60/98/15/846609815.db2.gz HFCRZOBERDBREV-BHDDXSALSA-N 2 1 376.516 3.643 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000501100165 846641836 /nfs/dbraw/zinc/64/18/36/846641836.db2.gz HLADRHGQQAJICV-HDICACEKSA-N 2 1 382.017 3.923 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000501100165 846641840 /nfs/dbraw/zinc/64/18/40/846641840.db2.gz HLADRHGQQAJICV-HDICACEKSA-N 2 1 382.017 3.923 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1)C1CC1 ZINC000511094874 846714858 /nfs/dbraw/zinc/71/48/58/846714858.db2.gz YMLGVCGTVDAURQ-HSZRJFAPSA-N 2 1 395.547 3.712 20 0 GHADMP Cc1[nH+]c2cc(NCc3nc4c(s3)C[N@@H+](C(C)C)CC4)ccc2n1[C@@H](C)CO ZINC000419758440 846778834 /nfs/dbraw/zinc/77/88/34/846778834.db2.gz DWVBRZKLBCAQRJ-AWEZNQCLSA-N 2 1 399.564 3.733 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000503085244 846790913 /nfs/dbraw/zinc/79/09/13/846790913.db2.gz NDTDBCFISBOOKG-UHFFFAOYSA-N 2 1 392.712 3.907 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657388631 846835567 /nfs/dbraw/zinc/83/55/67/846835567.db2.gz GTEYPLFBHLRZRL-UHFFFAOYSA-N 2 1 384.495 3.613 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000501520143 846980691 /nfs/dbraw/zinc/98/06/91/846980691.db2.gz LKCIJSJLPDRMKY-OALUTQOASA-N 2 1 390.572 3.649 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168044707 861754522 /nfs/dbraw/zinc/75/45/22/861754522.db2.gz GRGOHDGKIJQDCX-RMFSNUHRSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044707 861754530 /nfs/dbraw/zinc/75/45/30/861754530.db2.gz GRGOHDGKIJQDCX-RMFSNUHRSA-N 2 1 387.568 3.885 20 0 GHADMP CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319415 847114520 /nfs/dbraw/zinc/11/45/20/847114520.db2.gz PMOWBVOHRDSKFU-WMZOPIPTSA-N 2 1 394.519 3.687 20 0 GHADMP CC[C@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319415 847114534 /nfs/dbraw/zinc/11/45/34/847114534.db2.gz PMOWBVOHRDSKFU-WMZOPIPTSA-N 2 1 394.519 3.687 20 0 GHADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000420325891 847125146 /nfs/dbraw/zinc/12/51/46/847125146.db2.gz WXBNKHYAHBGVJU-LBPRGKRZSA-N 2 1 377.838 3.619 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000420327281 847126151 /nfs/dbraw/zinc/12/61/51/847126151.db2.gz YCZRIVXIXCMQIF-IBGZPJMESA-N 2 1 396.510 3.831 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513774217 847147749 /nfs/dbraw/zinc/14/77/49/847147749.db2.gz WOMBOVAXPBMVRP-WMZHIEFXSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000501777054 847178453 /nfs/dbraw/zinc/17/84/53/847178453.db2.gz REGLZTHNKCGDIV-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000501784891 847183001 /nfs/dbraw/zinc/18/30/01/847183001.db2.gz JUYRRBYEPXLVHO-HXUWFJFHSA-N 2 1 389.584 3.701 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000420891820 847536032 /nfs/dbraw/zinc/53/60/32/847536032.db2.gz NLTVXNHHZWMISI-WYZYGFAWSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@H+](Cc3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000420971979 847599811 /nfs/dbraw/zinc/59/98/11/847599811.db2.gz ADXJSHSNPQHWMV-UHFFFAOYSA-N 2 1 384.593 3.802 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000420971979 847599815 /nfs/dbraw/zinc/59/98/15/847599815.db2.gz ADXJSHSNPQHWMV-UHFFFAOYSA-N 2 1 384.593 3.802 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361088 847639484 /nfs/dbraw/zinc/63/94/84/847639484.db2.gz LGYPAEINDYUCFU-CEWLAPEOSA-N 2 1 398.551 3.530 20 0 GHADMP OCC[C@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@H](CCO)CC3)c2)CC1 ZINC000421022681 847644553 /nfs/dbraw/zinc/64/45/53/847644553.db2.gz UYQISNCQXSVNGO-VXKWHMMOSA-N 2 1 388.596 3.656 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000503388647 847647001 /nfs/dbraw/zinc/64/70/01/847647001.db2.gz JDJRFVSLALZCHP-BDTNDASRSA-N 2 1 392.632 3.508 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503417405 847681742 /nfs/dbraw/zinc/68/17/42/847681742.db2.gz CMBORUDDCMTFDX-LNRXMEIDSA-N 2 1 392.632 3.650 20 0 GHADMP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000502286586 847696902 /nfs/dbraw/zinc/69/69/02/847696902.db2.gz QGVDMIXCGCPRKH-IBGZPJMESA-N 2 1 398.547 3.565 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000604111765 861825334 /nfs/dbraw/zinc/82/53/34/861825334.db2.gz QOMSYQGWCCOMFL-SFTDATJTSA-N 2 1 398.551 3.626 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726769 847799580 /nfs/dbraw/zinc/79/95/80/847799580.db2.gz AMWJUUQNTTZCNI-KMDXXIMOSA-N 3 1 385.596 3.698 20 0 GHADMP C[N@H+](Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726769 847799584 /nfs/dbraw/zinc/79/95/84/847799584.db2.gz AMWJUUQNTTZCNI-KMDXXIMOSA-N 2 1 385.596 3.698 20 0 GHADMP C[N@@H+](Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726769 847799586 /nfs/dbraw/zinc/79/95/86/847799586.db2.gz AMWJUUQNTTZCNI-KMDXXIMOSA-N 2 1 385.596 3.698 20 0 GHADMP Fc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422811192 847834324 /nfs/dbraw/zinc/83/43/24/847834324.db2.gz ORNPLMWYKFNHDT-IEBWSBKVSA-N 2 1 391.284 3.934 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842491 847862384 /nfs/dbraw/zinc/86/23/84/847862384.db2.gz YJNSHHNFDROIJW-SRPRTCBCSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842491 847862389 /nfs/dbraw/zinc/86/23/89/847862389.db2.gz YJNSHHNFDROIJW-SRPRTCBCSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842491 847862397 /nfs/dbraw/zinc/86/23/97/847862397.db2.gz YJNSHHNFDROIJW-SRPRTCBCSA-N 3 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842491 847862401 /nfs/dbraw/zinc/86/24/01/847862401.db2.gz YJNSHHNFDROIJW-SRPRTCBCSA-N 3 1 391.559 3.743 20 0 GHADMP COc1ccc([C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423080375 847968804 /nfs/dbraw/zinc/96/88/04/847968804.db2.gz AFBFPGWISWGHLH-BJKOFHAPSA-N 2 1 379.548 3.995 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Br)cn1 ZINC000423095883 847977213 /nfs/dbraw/zinc/97/72/13/847977213.db2.gz NJICIPXBTOEKKO-IXDGSTSKSA-N 2 1 388.309 3.751 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(-c4ccccc4F)s3)cc2)C1 ZINC000657596558 848280969 /nfs/dbraw/zinc/28/09/69/848280969.db2.gz OFDMPEVONPCYCK-GOSISDBHSA-N 2 1 397.519 3.806 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000472269576 848534103 /nfs/dbraw/zinc/53/41/03/848534103.db2.gz WVKUXUUPUIDKHY-MOPGFXCFSA-N 2 1 375.557 3.570 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000472269576 848534104 /nfs/dbraw/zinc/53/41/04/848534104.db2.gz WVKUXUUPUIDKHY-MOPGFXCFSA-N 2 1 375.557 3.570 20 0 GHADMP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000604170992 861923498 /nfs/dbraw/zinc/92/34/98/861923498.db2.gz HVKIGDZJZLEGCJ-KCZVDYSFSA-N 2 1 386.584 3.776 20 0 GHADMP O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161706448 848690821 /nfs/dbraw/zinc/69/08/21/848690821.db2.gz USDWVVXKJUEPBQ-UHFFFAOYSA-N 2 1 379.932 3.572 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604179992 861937507 /nfs/dbraw/zinc/93/75/07/861937507.db2.gz YPAKVPGHNWVBAH-SJBKTWHCSA-N 2 1 386.584 3.633 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193629 861959264 /nfs/dbraw/zinc/95/92/64/861959264.db2.gz DWAPHFRDPWOVBS-IFMALSPDSA-N 2 1 386.584 3.633 20 0 GHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)CC3 ZINC000123117432 849063408 /nfs/dbraw/zinc/06/34/08/849063408.db2.gz BMHOXBGVZSQUKQ-KRWDZBQOSA-N 2 1 387.487 3.713 20 0 GHADMP O=C(C1CCCCC1)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000154590088 849327104 /nfs/dbraw/zinc/32/71/04/849327104.db2.gz IZNHVFUSCLLYOZ-UHFFFAOYSA-N 2 1 397.607 3.854 20 0 GHADMP CCCOc1c(Cl)cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1OCC ZINC000657750246 849599199 /nfs/dbraw/zinc/59/91/99/849599199.db2.gz FGCSTBHRIZBADK-SFHVURJKSA-N 2 1 396.959 3.870 20 0 GHADMP COCc1nc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(-c2ccccc2)s1 ZINC000423114516 849744692 /nfs/dbraw/zinc/74/46/92/849744692.db2.gz ZLLUMLARXMHEKN-AWEZNQCLSA-N 2 1 382.533 3.969 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@@H](C)C1 ZINC000503913527 849773297 /nfs/dbraw/zinc/77/32/97/849773297.db2.gz WCAWQQSABPUZIK-MCNSAMFCSA-N 2 1 378.532 3.807 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504031478 849857543 /nfs/dbraw/zinc/85/75/43/849857543.db2.gz DPRUPIUUJXFRNE-SLFFLAALSA-N 2 1 381.511 3.772 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504031478 849857551 /nfs/dbraw/zinc/85/75/51/849857551.db2.gz DPRUPIUUJXFRNE-SLFFLAALSA-N 2 1 381.511 3.772 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000423340651 849874338 /nfs/dbraw/zinc/87/43/38/849874338.db2.gz SUSAEWFXFMUOOV-VOQZNFBZSA-N 2 1 398.547 3.687 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CC[NH2+][C@H](C)C3)s2)cc1OC ZINC000423394755 849898774 /nfs/dbraw/zinc/89/87/74/849898774.db2.gz SHHQSEUSWSRRQU-JKIFEVAISA-N 2 1 389.565 3.851 20 0 GHADMP CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423397458 849901172 /nfs/dbraw/zinc/90/11/72/849901172.db2.gz SWPXCJUWUCMISS-SJBKTWHCSA-N 2 1 386.561 3.601 20 0 GHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423427511 849924748 /nfs/dbraw/zinc/92/47/48/849924748.db2.gz IKURIGCVLPLWIG-ISGRIPCHSA-N 2 1 378.339 3.749 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514578740 850019840 /nfs/dbraw/zinc/01/98/40/850019840.db2.gz DQSYIZIUVHKDAT-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)NCc3c[nH+]c4n3CCCC4)c2)CC1 ZINC000514591748 850034573 /nfs/dbraw/zinc/03/45/73/850034573.db2.gz DMNDTVGRSPKIQC-UHFFFAOYSA-N 2 1 395.551 3.816 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000504641356 850213463 /nfs/dbraw/zinc/21/34/63/850213463.db2.gz DUZLCBOVGOHQEC-HZPDHXFCSA-N 2 1 385.474 3.638 20 0 GHADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000518849511 850219916 /nfs/dbraw/zinc/21/99/16/850219916.db2.gz KKHNTGNZMHANGU-FXAWDEMLSA-N 2 1 397.950 3.998 20 0 GHADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000518849511 850219924 /nfs/dbraw/zinc/21/99/24/850219924.db2.gz KKHNTGNZMHANGU-FXAWDEMLSA-N 2 1 397.950 3.998 20 0 GHADMP FC(F)(F)c1cc(Br)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000514789505 850289474 /nfs/dbraw/zinc/28/94/74/850289474.db2.gz CFFGZSMBKXNHKA-BETUJISGSA-N 2 1 377.248 3.899 20 0 GHADMP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC[NH2+]CC2 ZINC000424285545 850332657 /nfs/dbraw/zinc/33/26/57/850332657.db2.gz FSVZDTWJRCTBJT-LBPRGKRZSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC[NH2+]CC2 ZINC000424285545 850332669 /nfs/dbraw/zinc/33/26/69/850332669.db2.gz FSVZDTWJRCTBJT-LBPRGKRZSA-N 2 1 389.849 3.761 20 0 GHADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424293662 850337117 /nfs/dbraw/zinc/33/71/17/850337117.db2.gz PKJYLIMAPDLJKH-DENIHFKCSA-N 2 1 399.579 3.603 20 0 GHADMP O[C@]1(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000424327731 850364589 /nfs/dbraw/zinc/36/45/89/850364589.db2.gz ZKVNQLXEAGCXOY-GGAORHGYSA-N 2 1 393.556 3.654 20 0 GHADMP O[C@]1(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000424327731 850364598 /nfs/dbraw/zinc/36/45/98/850364598.db2.gz ZKVNQLXEAGCXOY-GGAORHGYSA-N 2 1 393.556 3.654 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000426486276 850365020 /nfs/dbraw/zinc/36/50/20/850365020.db2.gz PAURRHFQDGHYLR-NEWSRXKRSA-N 2 1 399.501 3.791 20 0 GHADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[NH+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487049379 850414032 /nfs/dbraw/zinc/41/40/32/850414032.db2.gz SLYJZFBAHHNOCM-OPGCRTJHSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[NH+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487049379 850414036 /nfs/dbraw/zinc/41/40/36/850414036.db2.gz SLYJZFBAHHNOCM-OPGCRTJHSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487049379 850414042 /nfs/dbraw/zinc/41/40/42/850414042.db2.gz SLYJZFBAHHNOCM-OPGCRTJHSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487049379 850414048 /nfs/dbraw/zinc/41/40/48/850414048.db2.gz SLYJZFBAHHNOCM-OPGCRTJHSA-N 2 1 395.950 3.707 20 0 GHADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OCc1cccnc1 ZINC000424378791 850417023 /nfs/dbraw/zinc/41/70/23/850417023.db2.gz NTVYHMNPTVMTEJ-GOSISDBHSA-N 2 1 381.520 3.633 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424439508 850449974 /nfs/dbraw/zinc/44/99/74/850449974.db2.gz RQPOXTSUVTZIFV-FQEVSTJZSA-N 2 1 380.536 3.830 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(Cc4ccccc4)CCCC3)CC2)CC1 ZINC000518998040 850462025 /nfs/dbraw/zinc/46/20/25/850462025.db2.gz DYVKPZAIVZTMGV-UHFFFAOYSA-N 2 1 397.607 3.854 20 0 GHADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506695366 850470658 /nfs/dbraw/zinc/47/06/58/850470658.db2.gz GZVFYTXFIRVKCV-LEWJYISDSA-N 2 1 380.621 3.795 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000515017920 850598674 /nfs/dbraw/zinc/59/86/74/850598674.db2.gz ABQYVESCCOWGBP-SFTDATJTSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000515017920 850598687 /nfs/dbraw/zinc/59/86/87/850598687.db2.gz ABQYVESCCOWGBP-SFTDATJTSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000515017920 850598698 /nfs/dbraw/zinc/59/86/98/850598698.db2.gz ABQYVESCCOWGBP-SFTDATJTSA-N 2 1 395.522 3.917 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439958082 850628424 /nfs/dbraw/zinc/62/84/24/850628424.db2.gz LWDDEPAWYHNAAK-HSZRJFAPSA-N 2 1 395.547 3.935 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439958082 850628432 /nfs/dbraw/zinc/62/84/32/850628432.db2.gz LWDDEPAWYHNAAK-HSZRJFAPSA-N 2 1 395.547 3.935 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439958082 850628436 /nfs/dbraw/zinc/62/84/36/850628436.db2.gz LWDDEPAWYHNAAK-HSZRJFAPSA-N 2 1 395.547 3.935 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439958082 850628438 /nfs/dbraw/zinc/62/84/38/850628438.db2.gz LWDDEPAWYHNAAK-HSZRJFAPSA-N 2 1 395.547 3.935 20 0 GHADMP CCOc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435696892 850776865 /nfs/dbraw/zinc/77/68/65/850776865.db2.gz QPJJHRNPRJYWMB-HXUWFJFHSA-N 2 1 399.560 3.730 20 0 GHADMP CCOc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435696892 850776883 /nfs/dbraw/zinc/77/68/83/850776883.db2.gz QPJJHRNPRJYWMB-HXUWFJFHSA-N 2 1 399.560 3.730 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC4(CCCC4)CC3)c2)C1 ZINC000515257431 850834295 /nfs/dbraw/zinc/83/42/95/850834295.db2.gz VKWSWRGRCVOAGD-OAQYLSRUSA-N 2 1 383.580 3.977 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000513847615 850946086 /nfs/dbraw/zinc/94/60/86/850946086.db2.gz PIXNKVOLGKNVRP-FQEVSTJZSA-N 2 1 398.551 3.626 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC000440259920 850973919 /nfs/dbraw/zinc/97/39/19/850973919.db2.gz MJRCPTWWESTYME-AVRDEDQJSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC000440259920 850973927 /nfs/dbraw/zinc/97/39/27/850973927.db2.gz MJRCPTWWESTYME-AVRDEDQJSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC000440259920 850973936 /nfs/dbraw/zinc/97/39/36/850973936.db2.gz MJRCPTWWESTYME-AVRDEDQJSA-N 2 1 385.552 3.753 20 0 GHADMP COC(=O)[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000425429734 851059406 /nfs/dbraw/zinc/05/94/06/851059406.db2.gz ATUOHECGNCPZOA-PMOQBDJRSA-N 2 1 380.532 3.834 20 0 GHADMP COC(=O)[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000425429734 851059418 /nfs/dbraw/zinc/05/94/18/851059418.db2.gz ATUOHECGNCPZOA-PMOQBDJRSA-N 2 1 380.532 3.834 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000515644584 851302559 /nfs/dbraw/zinc/30/25/59/851302559.db2.gz BNGNZOAJZVMLDH-NYXYHIJFSA-N 2 1 391.506 3.526 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000515644584 851302563 /nfs/dbraw/zinc/30/25/63/851302563.db2.gz BNGNZOAJZVMLDH-NYXYHIJFSA-N 2 1 391.506 3.526 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3Br)CC2)C1 ZINC000415117782 851352782 /nfs/dbraw/zinc/35/27/82/851352782.db2.gz CIMUOGVCPSWMPH-DOTOQJQBSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000514213266 851395196 /nfs/dbraw/zinc/39/51/96/851395196.db2.gz FKCOLPIQEWAYQY-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436283381 851405145 /nfs/dbraw/zinc/40/51/45/851405145.db2.gz UXDGKUXEJLANMS-VCWRXUFXSA-N 2 1 397.563 3.551 20 0 GHADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488432942 851500954 /nfs/dbraw/zinc/50/09/54/851500954.db2.gz GRLUGFJKHAJZTC-UHFFFAOYSA-N 2 1 398.378 3.760 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000488450703 851520595 /nfs/dbraw/zinc/52/05/95/851520595.db2.gz MJLTXELQJCXWGF-IBGZPJMESA-N 2 1 383.580 3.550 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@@H](c3ccccc3OC)C2)cc1 ZINC000505485143 851531398 /nfs/dbraw/zinc/53/13/98/851531398.db2.gz YDUIIAZHMGXAGO-JOCHJYFZSA-N 2 1 395.547 3.714 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000515845925 851557853 /nfs/dbraw/zinc/55/78/53/851557853.db2.gz XYMAAHQLAIKXRS-QWHCGFSZSA-N 2 1 389.284 3.872 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3=Cc4ccccc4OC3)CC2)cs1 ZINC000111397423 851648560 /nfs/dbraw/zinc/64/85/60/851648560.db2.gz UBPWYHAARRVPAU-UHFFFAOYSA-N 2 1 383.561 3.983 20 0 GHADMP Cc1noc(CCC[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835330 851797963 /nfs/dbraw/zinc/79/79/63/851797963.db2.gz DGBBAWLUZBXMSA-JOCHJYFZSA-N 2 1 382.552 3.933 20 0 GHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000425942820 851964721 /nfs/dbraw/zinc/96/47/21/851964721.db2.gz OITCMSWKQNJVSU-ZWKOTPCHSA-N 2 1 395.613 3.536 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000438050393 851982053 /nfs/dbraw/zinc/98/20/53/851982053.db2.gz MTQFDLUVXGRXGA-FQEVSTJZSA-N 2 1 399.539 3.530 20 0 GHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180739249 862307915 /nfs/dbraw/zinc/30/79/15/862307915.db2.gz FQGRSNPXKOPMLR-HXUWFJFHSA-N 2 1 390.568 3.650 20 0 GHADMP CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000516032766 852090039 /nfs/dbraw/zinc/09/00/39/852090039.db2.gz COMFCFAELOCGDY-XCYMCMSUSA-N 2 1 383.580 3.714 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000102038089 852104598 /nfs/dbraw/zinc/10/45/98/852104598.db2.gz AJKCFNMSRPTWOV-ICSRJNTNSA-N 2 1 390.572 3.679 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000489208634 852119783 /nfs/dbraw/zinc/11/97/83/852119783.db2.gz VQKAHVVDTQVYKL-CVDCTZTESA-N 2 1 396.579 3.937 20 0 GHADMP C[N@@H+](Cc1cc2ccnc(Cl)c2s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894768955 852135052 /nfs/dbraw/zinc/13/50/52/852135052.db2.gz AEQRHSDSOQICPR-INIZCTEOSA-N 2 1 378.973 3.550 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(Br)c1OC ZINC000506926223 852345102 /nfs/dbraw/zinc/34/51/02/852345102.db2.gz JEGTZENQPMAMMH-UHFFFAOYSA-N 2 1 385.346 3.630 20 0 GHADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426766111 852351603 /nfs/dbraw/zinc/35/16/03/852351603.db2.gz WUWVZSXDWJGYKV-HSALFYBXSA-N 2 1 387.568 3.533 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000489767587 852595882 /nfs/dbraw/zinc/59/58/82/852595882.db2.gz CBXJJQOHOMXUBX-ZDXQCDESSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1Br ZINC001212142712 852659339 /nfs/dbraw/zinc/65/93/39/852659339.db2.gz QOZYABKLLGUSFM-HNNXBMFYSA-N 2 1 381.318 3.976 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000516582454 852750542 /nfs/dbraw/zinc/75/05/42/852750542.db2.gz GVNWPFRODJYYJT-JOCHJYFZSA-N 2 1 387.543 3.516 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000507393050 852855303 /nfs/dbraw/zinc/85/53/03/852855303.db2.gz VSYROSZZOWZTPC-RBUKOAKNSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000490248709 852866323 /nfs/dbraw/zinc/86/63/23/852866323.db2.gz OTJHMBPLVDNPEJ-QFBILLFUSA-N 2 1 391.357 3.678 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)CC[N@H+]1Cc1ccccc1 ZINC000490248709 852866327 /nfs/dbraw/zinc/86/63/27/852866327.db2.gz OTJHMBPLVDNPEJ-QFBILLFUSA-N 2 1 391.357 3.678 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(OC)c1 ZINC000507491622 852973805 /nfs/dbraw/zinc/97/38/05/852973805.db2.gz CAOBYAJKVYCJDV-VLCRHTCISA-N 2 1 396.531 3.713 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(OC)c1 ZINC000507491622 852973812 /nfs/dbraw/zinc/97/38/12/852973812.db2.gz CAOBYAJKVYCJDV-VLCRHTCISA-N 2 1 396.531 3.713 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1cc(C)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000516770654 852983153 /nfs/dbraw/zinc/98/31/53/852983153.db2.gz GBFKMOYVTUTVTO-JOCHJYFZSA-N 2 1 396.579 3.933 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1cc(C)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000516770654 852983159 /nfs/dbraw/zinc/98/31/59/852983159.db2.gz GBFKMOYVTUTVTO-JOCHJYFZSA-N 2 1 396.579 3.933 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]2C1 ZINC001167986331 853024729 /nfs/dbraw/zinc/02/47/29/853024729.db2.gz DCPURIDWRYPIPH-APISQKPESA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]2C1 ZINC001167986331 853024734 /nfs/dbraw/zinc/02/47/34/853024734.db2.gz DCPURIDWRYPIPH-APISQKPESA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]2C1 ZINC001167986331 853024745 /nfs/dbraw/zinc/02/47/45/853024745.db2.gz DCPURIDWRYPIPH-APISQKPESA-N 2 1 389.584 3.581 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112373815 853047935 /nfs/dbraw/zinc/04/79/35/853047935.db2.gz MCBSTYJTNIJPNE-CYBMUJFWSA-N 2 1 388.313 3.770 20 0 GHADMP COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1SC ZINC000518248222 853107572 /nfs/dbraw/zinc/10/75/72/853107572.db2.gz NDHCLTVWXMSIHU-KRWDZBQOSA-N 2 1 391.606 3.557 20 0 GHADMP C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167986877 853173082 /nfs/dbraw/zinc/17/30/82/853173082.db2.gz HXIPMMUWZUAYJN-WCRBZPEASA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167986877 853173090 /nfs/dbraw/zinc/17/30/90/853173090.db2.gz HXIPMMUWZUAYJN-WCRBZPEASA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167986877 853173097 /nfs/dbraw/zinc/17/30/97/853173097.db2.gz HXIPMMUWZUAYJN-WCRBZPEASA-N 2 1 391.600 3.971 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000490828423 853280657 /nfs/dbraw/zinc/28/06/57/853280657.db2.gz QENUFVRCCZWAOZ-IBGZPJMESA-N 2 1 380.964 3.508 20 0 GHADMP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1CCCC[C@@H]1C ZINC000490953242 853362471 /nfs/dbraw/zinc/36/24/71/853362471.db2.gz JFMCFTXWIOTGQH-ZWKOTPCHSA-N 2 1 390.597 3.620 20 0 GHADMP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1CCCC[C@@H]1C ZINC000490953242 853362479 /nfs/dbraw/zinc/36/24/79/853362479.db2.gz JFMCFTXWIOTGQH-ZWKOTPCHSA-N 2 1 390.597 3.620 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377052 853407226 /nfs/dbraw/zinc/40/72/26/853407226.db2.gz AKHPBYINEAQOHZ-QFIPXVFZSA-N 2 1 387.593 3.551 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000491061559 853432023 /nfs/dbraw/zinc/43/20/23/853432023.db2.gz RQXBLQJEMXYXNT-UHFFFAOYSA-N 2 1 394.991 3.583 20 0 GHADMP COc1cncc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000625584665 862465341 /nfs/dbraw/zinc/46/53/41/862465341.db2.gz ZHCVWYGLFTYWEE-JOCHJYFZSA-N 2 1 380.536 3.608 20 0 GHADMP COc1cncc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000625584665 862465344 /nfs/dbraw/zinc/46/53/44/862465344.db2.gz ZHCVWYGLFTYWEE-JOCHJYFZSA-N 2 1 380.536 3.608 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc2)C1 ZINC000519845694 853539395 /nfs/dbraw/zinc/53/93/95/853539395.db2.gz JUXHMJJSLLJYSW-FQEVSTJZSA-N 2 1 399.579 3.892 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000415983959 853663762 /nfs/dbraw/zinc/66/37/62/853663762.db2.gz HFHNHYFRUMXFDQ-UHFFFAOYSA-N 2 1 386.927 3.799 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000415983959 853663767 /nfs/dbraw/zinc/66/37/67/853663767.db2.gz HFHNHYFRUMXFDQ-UHFFFAOYSA-N 2 1 386.927 3.799 20 0 GHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000518747612 853724741 /nfs/dbraw/zinc/72/47/41/853724741.db2.gz MVSRWLHVIWSMDS-FQEVSTJZSA-N 2 1 395.576 3.525 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000520122919 853873627 /nfs/dbraw/zinc/87/36/27/853873627.db2.gz ILMIUIVFWRMBQH-WMZHIEFXSA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000520122919 853873630 /nfs/dbraw/zinc/87/36/30/853873630.db2.gz ILMIUIVFWRMBQH-WMZHIEFXSA-N 2 1 379.548 3.980 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H](c2cccnc2)C2CCC2)[C@H](c2ccccc2)C1 ZINC000481918014 862515462 /nfs/dbraw/zinc/51/54/62/862515462.db2.gz QFNPJENCVDYDRL-ZEQRLZLVSA-N 2 1 378.564 3.891 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989332 854017267 /nfs/dbraw/zinc/01/72/67/854017267.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 3 1 379.592 3.764 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989332 854017270 /nfs/dbraw/zinc/01/72/70/854017270.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 3 1 379.592 3.764 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989332 854017274 /nfs/dbraw/zinc/01/72/74/854017274.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 3 1 379.592 3.764 20 0 GHADMP Cc1ccc(CN2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989332 854017276 /nfs/dbraw/zinc/01/72/76/854017276.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 2 1 379.592 3.764 20 0 GHADMP Cc1ccc(CN2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989332 854017279 /nfs/dbraw/zinc/01/72/79/854017279.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 2 1 379.592 3.764 20 0 GHADMP Cc1ccc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989332 854017284 /nfs/dbraw/zinc/01/72/84/854017284.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 2 1 379.592 3.764 20 0 GHADMP Cc1ccc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989332 854017286 /nfs/dbraw/zinc/01/72/86/854017286.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 2 1 379.592 3.764 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(-c2ccccc2)nc2ccccn21 ZINC000441262392 854045576 /nfs/dbraw/zinc/04/55/76/854045576.db2.gz IHSLOCOEMGOGSO-SJBKTWHCSA-N 2 1 390.531 3.685 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)C2)CC1 ZINC000520307008 854052327 /nfs/dbraw/zinc/05/23/27/854052327.db2.gz QAIADJPJIGPYIG-WIYYLYMNSA-N 2 1 391.987 3.913 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000571811834 854165227 /nfs/dbraw/zinc/16/52/27/854165227.db2.gz ZSUVDQCAVKOOJK-KZKAQZJJSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000571811834 854165233 /nfs/dbraw/zinc/16/52/33/854165233.db2.gz ZSUVDQCAVKOOJK-KZKAQZJJSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571811834 854165237 /nfs/dbraw/zinc/16/52/37/854165237.db2.gz ZSUVDQCAVKOOJK-KZKAQZJJSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000571811834 854165244 /nfs/dbraw/zinc/16/52/44/854165244.db2.gz ZSUVDQCAVKOOJK-KZKAQZJJSA-N 2 1 383.580 3.620 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263643 854165236 /nfs/dbraw/zinc/16/52/36/854165236.db2.gz LKZKTJKKSWRSMC-ACIOBRDBSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263643 854165243 /nfs/dbraw/zinc/16/52/43/854165243.db2.gz LKZKTJKKSWRSMC-ACIOBRDBSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H]1c1ccccc1 ZINC000536263643 854165247 /nfs/dbraw/zinc/16/52/47/854165247.db2.gz LKZKTJKKSWRSMC-ACIOBRDBSA-N 2 1 395.522 3.599 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)cnc2n1 ZINC000571812940 854165936 /nfs/dbraw/zinc/16/59/36/854165936.db2.gz TZHIDCGRHPZOTQ-OAQYLSRUSA-N 2 1 377.536 3.738 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc2n1 ZINC000571812940 854165941 /nfs/dbraw/zinc/16/59/41/854165941.db2.gz TZHIDCGRHPZOTQ-OAQYLSRUSA-N 2 1 377.536 3.738 20 0 GHADMP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000520415441 854202155 /nfs/dbraw/zinc/20/21/55/854202155.db2.gz LQDLOQSCVRMAQG-HNNXBMFYSA-N 2 1 378.513 3.906 20 0 GHADMP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000520415441 854202165 /nfs/dbraw/zinc/20/21/65/854202165.db2.gz LQDLOQSCVRMAQG-HNNXBMFYSA-N 2 1 378.513 3.906 20 0 GHADMP CN1c2ccccc2C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1=O ZINC001167992022 854278373 /nfs/dbraw/zinc/27/83/73/854278373.db2.gz GLNITMYPMGYHIU-WCRBZPEASA-N 2 1 393.575 3.792 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536297429 854649674 /nfs/dbraw/zinc/64/96/74/854649674.db2.gz VEUPGJUNVIOSTE-VQTJNVASSA-N 2 1 392.975 3.506 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536297429 854649683 /nfs/dbraw/zinc/64/96/83/854649683.db2.gz VEUPGJUNVIOSTE-VQTJNVASSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000073550929 854736225 /nfs/dbraw/zinc/73/62/25/854736225.db2.gz DCVDNWKJTVURKM-HXUWFJFHSA-N 2 1 386.584 3.546 20 0 GHADMP Brc1ccc(/C=C/CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000624046917 862612642 /nfs/dbraw/zinc/61/26/42/862612642.db2.gz PWFOYEJYPSPYKE-UJXFUWLCSA-N 2 1 379.342 3.695 20 0 GHADMP CCC[NH+]1CCC([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000624106283 862659356 /nfs/dbraw/zinc/65/93/56/862659356.db2.gz VOQZZZVXSYVXBF-QHCPKHFHSA-N 2 1 377.532 3.848 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000172555312 855415622 /nfs/dbraw/zinc/41/56/22/855415622.db2.gz PSFAWNYBNTWAEP-WMZHIEFXSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000542722360 855559331 /nfs/dbraw/zinc/55/93/31/855559331.db2.gz LKYFABUXWGZXSN-HZPDHXFCSA-N 2 1 386.989 3.591 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C[C@@H]21 ZINC000520583206 855710486 /nfs/dbraw/zinc/71/04/86/855710486.db2.gz LYJMKTBYZBCEBC-PCCBWWKXSA-N 2 1 375.516 3.509 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C[C@@H]21 ZINC000520583206 855710492 /nfs/dbraw/zinc/71/04/92/855710492.db2.gz LYJMKTBYZBCEBC-PCCBWWKXSA-N 2 1 375.516 3.509 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC[C@@H]3C2)cc1 ZINC001168004148 855737571 /nfs/dbraw/zinc/73/75/71/855737571.db2.gz RJPYXKILQFNWPV-MTRHAFCDSA-N 2 1 379.592 3.846 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)CC[C@@H]3C2)cc1 ZINC001168004148 855737575 /nfs/dbraw/zinc/73/75/75/855737575.db2.gz RJPYXKILQFNWPV-MTRHAFCDSA-N 2 1 379.592 3.846 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)CC[C@@H]3C2)cc1 ZINC001168004148 855737579 /nfs/dbraw/zinc/73/75/79/855737579.db2.gz RJPYXKILQFNWPV-MTRHAFCDSA-N 2 1 379.592 3.846 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000057887207 855768298 /nfs/dbraw/zinc/76/82/98/855768298.db2.gz RCABJTWKAXIHTL-IBGZPJMESA-N 2 1 394.563 3.926 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474798918 855928561 /nfs/dbraw/zinc/92/85/61/855928561.db2.gz MFSMQCIXUMCFIP-SGZDXZSOSA-N 2 1 384.486 3.970 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474798918 855928569 /nfs/dbraw/zinc/92/85/69/855928569.db2.gz MFSMQCIXUMCFIP-SGZDXZSOSA-N 2 1 384.486 3.970 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000573244341 856021373 /nfs/dbraw/zinc/02/13/73/856021373.db2.gz BLFRSBSOCJERGK-SESVDKBCSA-N 2 1 395.513 3.903 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567889788 862759882 /nfs/dbraw/zinc/75/98/82/862759882.db2.gz USMLNYHOGYTKKH-NRSPTQNISA-N 2 1 393.531 3.524 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)[NH+]2CCCC2)cc1 ZINC000465820659 856127228 /nfs/dbraw/zinc/12/72/28/856127228.db2.gz WVYWVYSOALTFET-XPWALMASSA-N 2 1 398.595 3.789 20 0 GHADMP Brc1cccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573447657 856130794 /nfs/dbraw/zinc/13/07/94/856130794.db2.gz DQWKZTNLMHLILK-HZPDHXFCSA-N 2 1 390.325 3.926 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000482143885 862760397 /nfs/dbraw/zinc/76/03/97/862760397.db2.gz PJTFAONNSJQKAN-LNLFQRSKSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000905152534 856172551 /nfs/dbraw/zinc/17/25/51/856172551.db2.gz FILGKKXRGQLFBH-OTUUDDROSA-N 2 1 382.548 3.504 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000905152534 856172557 /nfs/dbraw/zinc/17/25/57/856172557.db2.gz FILGKKXRGQLFBH-OTUUDDROSA-N 2 1 382.548 3.504 20 0 GHADMP COc1ccc2nc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2c1 ZINC000674330174 856172595 /nfs/dbraw/zinc/17/25/95/856172595.db2.gz CJDYBZSMLVJBIS-UHFFFAOYSA-N 2 1 396.579 3.876 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905149086 856185651 /nfs/dbraw/zinc/18/56/51/856185651.db2.gz XZAWYSSYOLBVMR-GOSISDBHSA-N 2 1 375.340 3.506 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000591710713 856226737 /nfs/dbraw/zinc/22/67/37/856226737.db2.gz GVRZOQWPOHKUIH-KRWDZBQOSA-N 2 1 395.526 3.705 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038830375 856298773 /nfs/dbraw/zinc/29/87/73/856298773.db2.gz YRQQPVZGYLERCE-XMMPIXPASA-N 2 1 391.559 3.811 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000579625261 856403679 /nfs/dbraw/zinc/40/36/79/856403679.db2.gz UIMQTCSAUCPFCF-JOCHJYFZSA-N 2 1 398.595 3.735 20 0 GHADMP COc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H]3CO)sc2c1 ZINC000474020175 856607002 /nfs/dbraw/zinc/60/70/02/856607002.db2.gz XCBVMLVDLLDMPB-SFHVURJKSA-N 2 1 397.544 3.551 20 0 GHADMP COc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)sc2c1 ZINC000474020175 856607053 /nfs/dbraw/zinc/60/70/53/856607053.db2.gz XCBVMLVDLLDMPB-SFHVURJKSA-N 2 1 397.544 3.551 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000485478070 856627480 /nfs/dbraw/zinc/62/74/80/856627480.db2.gz SEKUBTKJYHYIRX-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000542885135 856650842 /nfs/dbraw/zinc/65/08/42/856650842.db2.gz PXVDDPBZMNFMQV-QNHAZURESA-N 2 1 392.547 3.916 20 0 GHADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000479364216 856698965 /nfs/dbraw/zinc/69/89/65/856698965.db2.gz RJXMYYOEQFJYJZ-LJQANCHMSA-N 2 1 383.374 3.973 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000045790293 856765894 /nfs/dbraw/zinc/76/58/94/856765894.db2.gz DOSWTGHIIVBGLQ-HSZRJFAPSA-N 2 1 394.563 3.725 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000045790293 856765903 /nfs/dbraw/zinc/76/59/03/856765903.db2.gz DOSWTGHIIVBGLQ-HSZRJFAPSA-N 2 1 394.563 3.725 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000045790293 856765913 /nfs/dbraw/zinc/76/59/13/856765913.db2.gz DOSWTGHIIVBGLQ-HSZRJFAPSA-N 2 1 394.563 3.725 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000045790293 856765921 /nfs/dbraw/zinc/76/59/21/856765921.db2.gz DOSWTGHIIVBGLQ-HSZRJFAPSA-N 2 1 394.563 3.725 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000111089411 856777745 /nfs/dbraw/zinc/77/77/45/856777745.db2.gz INNOJJPZBYDYNA-HSZRJFAPSA-N 2 1 379.548 3.634 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000508164958 857017415 /nfs/dbraw/zinc/01/74/15/857017415.db2.gz RDJVJLLMDBLFPM-OAQYLSRUSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000508164958 857017429 /nfs/dbraw/zinc/01/74/29/857017429.db2.gz RDJVJLLMDBLFPM-OAQYLSRUSA-N 2 1 375.532 3.563 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428067139 857077635 /nfs/dbraw/zinc/07/76/35/857077635.db2.gz QQUWNUPRQIEAOM-NRFANRHFSA-N 2 1 382.552 3.815 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428067139 857077648 /nfs/dbraw/zinc/07/76/48/857077648.db2.gz QQUWNUPRQIEAOM-NRFANRHFSA-N 2 1 382.552 3.815 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185577 862872065 /nfs/dbraw/zinc/87/20/65/862872065.db2.gz FVWDWIQLSRLMQC-QRQLOZEOSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185577 862872089 /nfs/dbraw/zinc/87/20/89/862872089.db2.gz FVWDWIQLSRLMQC-QRQLOZEOSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185577 862872111 /nfs/dbraw/zinc/87/21/11/862872111.db2.gz FVWDWIQLSRLMQC-QRQLOZEOSA-N 2 1 397.485 3.689 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000057174874 857158814 /nfs/dbraw/zinc/15/88/14/857158814.db2.gz TYLQDRHZVMGUHG-DEOSSOPVSA-N 2 1 391.559 3.740 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766109794 857185632 /nfs/dbraw/zinc/18/56/32/857185632.db2.gz RHGGCPAWYGDFHY-PKTZIBPZSA-N 2 1 383.580 3.766 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000665259448 857215720 /nfs/dbraw/zinc/21/57/20/857215720.db2.gz GJYXZZZBAUPPIN-DEZRYOJYSA-N 2 1 383.511 3.991 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC1 ZINC000058861494 857371257 /nfs/dbraw/zinc/37/12/57/857371257.db2.gz LEEDBNMMOGXYRR-OAQYLSRUSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000058861494 857371267 /nfs/dbraw/zinc/37/12/67/857371267.db2.gz LEEDBNMMOGXYRR-OAQYLSRUSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000058861494 857371274 /nfs/dbraw/zinc/37/12/74/857371274.db2.gz LEEDBNMMOGXYRR-OAQYLSRUSA-N 2 1 389.559 3.617 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000766140950 857408004 /nfs/dbraw/zinc/40/80/04/857408004.db2.gz ZMJSSRVHTYTGIW-UIFIKXQLSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000766140950 857408008 /nfs/dbraw/zinc/40/80/08/857408008.db2.gz ZMJSSRVHTYTGIW-UIFIKXQLSA-N 2 1 387.568 3.932 20 0 GHADMP CC1CC[NH+](CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000520954200 857434565 /nfs/dbraw/zinc/43/45/65/857434565.db2.gz JJDAFVMOLNARAD-UHFFFAOYSA-N 2 1 379.342 3.937 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1)C(C)C ZINC000675491874 857461801 /nfs/dbraw/zinc/46/18/01/857461801.db2.gz TVZNMXCCVUQEBS-OAQYLSRUSA-N 2 1 395.547 3.886 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555556 857465364 /nfs/dbraw/zinc/46/53/64/857465364.db2.gz LOBVYZQNVWMFLU-VAMGGRTRSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555556 857465374 /nfs/dbraw/zinc/46/53/74/857465374.db2.gz LOBVYZQNVWMFLU-VAMGGRTRSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555556 857465377 /nfs/dbraw/zinc/46/53/77/857465377.db2.gz LOBVYZQNVWMFLU-VAMGGRTRSA-N 2 1 392.975 3.649 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000061553623 857529897 /nfs/dbraw/zinc/52/98/97/857529897.db2.gz JEAPYYIHAPHGMN-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000675882877 857660242 /nfs/dbraw/zinc/66/02/42/857660242.db2.gz UKYYSWXGLZUHMW-WMLDXEAASA-N 2 1 397.357 3.752 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000065526772 857813027 /nfs/dbraw/zinc/81/30/27/857813027.db2.gz YVGLNIZNDFMCEZ-BGYRXZFFSA-N 2 1 380.621 3.554 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000065549627 857817289 /nfs/dbraw/zinc/81/72/89/857817289.db2.gz CMXDBULBIMPETC-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000466015756 857823928 /nfs/dbraw/zinc/82/39/28/857823928.db2.gz JSZRRDLRQFVGRE-UHFFFAOYSA-N 2 1 383.540 3.822 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000594133565 857952815 /nfs/dbraw/zinc/95/28/15/857952815.db2.gz YHCPWERLQGGEEG-BGYRXZFFSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168371512 857986476 /nfs/dbraw/zinc/98/64/76/857986476.db2.gz GPSZWDLGVGGUAR-QFIPXVFZSA-N 2 1 377.573 3.584 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000486697358 858004046 /nfs/dbraw/zinc/00/40/46/858004046.db2.gz FHQWZTKTGFIIOA-QHCPKHFHSA-N 2 1 379.548 3.503 20 0 GHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1)c1ccco1 ZINC000673011400 858021544 /nfs/dbraw/zinc/02/15/44/858021544.db2.gz WBFXBBIYXKDPSA-VQIMIIECSA-N 2 1 399.539 3.512 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442712612 858068567 /nfs/dbraw/zinc/06/85/67/858068567.db2.gz VBVDVHFNNVJPLD-NRFANRHFSA-N 2 1 388.559 3.562 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc2)c1 ZINC000482359092 862983515 /nfs/dbraw/zinc/98/35/15/862983515.db2.gz CITRMPQBYFQIIO-RUZDIDTESA-N 2 1 395.591 3.842 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000442804393 858130724 /nfs/dbraw/zinc/13/07/24/858130724.db2.gz ZIQIZCQEMDNOPT-QPTUXGOLSA-N 2 1 389.543 3.814 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)c2)CCO1 ZINC000442787838 858133948 /nfs/dbraw/zinc/13/39/48/858133948.db2.gz DSGHKAJREUEBTI-FXAWDEMLSA-N 2 1 375.516 3.646 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)c2)CCO1 ZINC000442787838 858133956 /nfs/dbraw/zinc/13/39/56/858133956.db2.gz DSGHKAJREUEBTI-FXAWDEMLSA-N 2 1 375.516 3.646 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000574750238 858157460 /nfs/dbraw/zinc/15/74/60/858157460.db2.gz LJCFIOJONDILOE-REWPJTCUSA-N 2 1 382.548 3.858 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574754346 858159732 /nfs/dbraw/zinc/15/97/32/858159732.db2.gz XAKRDRXOVRVFNG-CTNGQTDRSA-N 2 1 395.950 3.899 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574754346 858159738 /nfs/dbraw/zinc/15/97/38/858159738.db2.gz XAKRDRXOVRVFNG-CTNGQTDRSA-N 2 1 395.950 3.899 20 0 GHADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442859592 858180555 /nfs/dbraw/zinc/18/05/55/858180555.db2.gz ANWRGXCAWUSLLO-LSDHHAIUSA-N 2 1 388.383 3.765 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281383194 862993431 /nfs/dbraw/zinc/99/34/31/862993431.db2.gz XMRIITDLGAVVNK-HSZRJFAPSA-N 2 1 382.527 3.599 20 0 GHADMP COc1ccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccc(F)cc2)cc1 ZINC000442875604 858191480 /nfs/dbraw/zinc/19/14/80/858191480.db2.gz PFZJWBBMUMSQIA-JOCHJYFZSA-N 2 1 385.527 3.539 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000521852657 858368686 /nfs/dbraw/zinc/36/86/86/858368686.db2.gz VBJQWYZNFUWCLI-SIKLNZKXSA-N 2 1 397.567 3.600 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000521852655 858369149 /nfs/dbraw/zinc/36/91/49/858369149.db2.gz VBJQWYZNFUWCLI-DENIHFKCSA-N 2 1 397.567 3.600 20 0 GHADMP C[C@@H](CSCCF)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000595038216 858375970 /nfs/dbraw/zinc/37/59/70/858375970.db2.gz LDPQOJSUMWRWHR-ICSRJNTNSA-N 2 1 380.573 3.596 20 0 GHADMP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443295507 858542274 /nfs/dbraw/zinc/54/22/74/858542274.db2.gz NUAGGXXAXUNLOO-VDKIKQQVSA-N 2 1 395.591 3.623 20 0 GHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000181940111 863060163 /nfs/dbraw/zinc/06/01/63/863060163.db2.gz PUEYUXYVGYXSFH-YADARESESA-N 2 1 394.563 3.674 20 0 GHADMP CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183684767 858796815 /nfs/dbraw/zinc/79/68/15/858796815.db2.gz XWMUSKWLCHOLNZ-INIZCTEOSA-N 2 1 378.476 3.869 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183815243 858824031 /nfs/dbraw/zinc/82/40/31/858824031.db2.gz WXPMUBNHOKTQBF-UHFFFAOYSA-N 2 1 379.295 3.649 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)(C)C ZINC000116494134 859003954 /nfs/dbraw/zinc/00/39/54/859003954.db2.gz ORHRGUAKNCIOTO-IBGZPJMESA-N 2 1 392.613 3.723 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCSCc3ccccc3)C2)ccn1 ZINC000856550962 881371333 /nfs/dbraw/zinc/37/13/33/881371333.db2.gz ILCUYTDLXOPTAM-QFIPXVFZSA-N 2 1 385.577 3.920 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCSCc3ccccc3)C2)ccn1 ZINC000856550962 881371354 /nfs/dbraw/zinc/37/13/54/881371354.db2.gz ILCUYTDLXOPTAM-QFIPXVFZSA-N 2 1 385.577 3.920 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCSCc3ccccc3)C2)ccn1 ZINC000856550962 881371377 /nfs/dbraw/zinc/37/13/77/881371377.db2.gz ILCUYTDLXOPTAM-QFIPXVFZSA-N 2 1 385.577 3.920 20 0 GHADMP O=S(=O)(CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000443597872 859025441 /nfs/dbraw/zinc/02/54/41/859025441.db2.gz FSQOWUMAJWTOKS-UHFFFAOYSA-N 2 1 396.572 3.578 20 0 GHADMP C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693859 859117156 /nfs/dbraw/zinc/11/71/56/859117156.db2.gz WMTIPPRSEBRVCZ-TXPKVOOTSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693859 859117159 /nfs/dbraw/zinc/11/71/59/859117159.db2.gz WMTIPPRSEBRVCZ-TXPKVOOTSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693859 859117160 /nfs/dbraw/zinc/11/71/60/859117160.db2.gz WMTIPPRSEBRVCZ-TXPKVOOTSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708681 859118540 /nfs/dbraw/zinc/11/85/40/859118540.db2.gz CWXHWCNMFUUQBM-NQIIRXRSSA-N 2 1 395.547 3.952 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708681 859118548 /nfs/dbraw/zinc/11/85/48/859118548.db2.gz CWXHWCNMFUUQBM-NQIIRXRSSA-N 2 1 395.547 3.952 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712194 859119097 /nfs/dbraw/zinc/11/90/97/859119097.db2.gz OWUUFBVZBIKARG-GJZGRUSLSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712194 859119105 /nfs/dbraw/zinc/11/91/05/859119105.db2.gz OWUUFBVZBIKARG-GJZGRUSLSA-N 2 1 394.357 3.630 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000665363260 859123629 /nfs/dbraw/zinc/12/36/29/859123629.db2.gz WCAHATPFUDSMTN-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000665363260 859123640 /nfs/dbraw/zinc/12/36/40/859123640.db2.gz WCAHATPFUDSMTN-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000665363260 859123651 /nfs/dbraw/zinc/12/36/51/859123651.db2.gz WCAHATPFUDSMTN-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(Oc4ccccn4)c3)cc2)C1 ZINC000922239339 859131949 /nfs/dbraw/zinc/13/19/49/859131949.db2.gz FVKJLJCYAJXEQQ-QFIPXVFZSA-N 2 1 389.499 3.730 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)[C@H](C)C1 ZINC000483141716 859178696 /nfs/dbraw/zinc/17/86/96/859178696.db2.gz SUZGWUNLNMYNMM-CBQOVEMMSA-N 2 1 377.548 3.521 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000191494872 859191853 /nfs/dbraw/zinc/19/18/53/859191853.db2.gz MVCBDJMRVWCXCD-CQSZACIVSA-N 2 1 380.895 3.977 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000191494872 859191858 /nfs/dbraw/zinc/19/18/58/859191858.db2.gz MVCBDJMRVWCXCD-CQSZACIVSA-N 2 1 380.895 3.977 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000483207040 859222211 /nfs/dbraw/zinc/22/22/11/859222211.db2.gz VBLYTAWSXXAAOT-SFTDATJTSA-N 2 1 375.601 3.756 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(=O)C4CCC4)cc3)CC2)CC1 ZINC000568206411 859235713 /nfs/dbraw/zinc/23/57/13/859235713.db2.gz LWEIXKZLBBRDKM-UHFFFAOYSA-N 2 1 397.563 3.804 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000466720960 859284940 /nfs/dbraw/zinc/28/49/40/859284940.db2.gz BTOXVHHXQLQUIR-QGZVFWFLSA-N 2 1 393.597 3.558 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)CC1 ZINC000483378760 859323852 /nfs/dbraw/zinc/32/38/52/859323852.db2.gz FKDZUJJMVBFNAX-UHFFFAOYSA-N 2 1 393.575 3.914 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557762 881410413 /nfs/dbraw/zinc/41/04/13/881410413.db2.gz BKFWKECJZRXCGL-HXUWFJFHSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557762 881410611 /nfs/dbraw/zinc/41/06/11/881410611.db2.gz BKFWKECJZRXCGL-HXUWFJFHSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557762 881410816 /nfs/dbraw/zinc/41/08/16/881410816.db2.gz BKFWKECJZRXCGL-HXUWFJFHSA-N 2 1 380.492 3.716 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(C)o1 ZINC000597232202 859366500 /nfs/dbraw/zinc/36/65/00/859366500.db2.gz SVOHGUYZLSWSPS-FQEVSTJZSA-N 2 1 382.504 3.767 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(C)o1 ZINC000597232202 859366511 /nfs/dbraw/zinc/36/65/11/859366511.db2.gz SVOHGUYZLSWSPS-FQEVSTJZSA-N 2 1 382.504 3.767 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC001143140955 859375280 /nfs/dbraw/zinc/37/52/80/859375280.db2.gz YCEFLHIGVFNIQX-NJDAHSKKSA-N 2 1 385.596 3.850 20 0 GHADMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000466735447 859395274 /nfs/dbraw/zinc/39/52/74/859395274.db2.gz PCMVWPLMIDMUQR-UHFFFAOYSA-N 2 1 383.414 3.652 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+]1CCCCC1 ZINC000764357366 859402906 /nfs/dbraw/zinc/40/29/06/859402906.db2.gz UFHCGAOPWGUKAM-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000626062807 859435610 /nfs/dbraw/zinc/43/56/10/859435610.db2.gz HHAXGCZASSACNL-QGZVFWFLSA-N 2 1 396.535 3.556 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558987 881426904 /nfs/dbraw/zinc/42/69/04/881426904.db2.gz CVZXXXRHBJZVIJ-JOCHJYFZSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558987 881426915 /nfs/dbraw/zinc/42/69/15/881426915.db2.gz CVZXXXRHBJZVIJ-JOCHJYFZSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558987 881426923 /nfs/dbraw/zinc/42/69/23/881426923.db2.gz CVZXXXRHBJZVIJ-JOCHJYFZSA-N 2 1 382.552 3.641 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000117605413 859530556 /nfs/dbraw/zinc/53/05/56/859530556.db2.gz SLGIENMNJOCWCW-HSZRJFAPSA-N 2 1 395.547 3.536 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000117605413 859530570 /nfs/dbraw/zinc/53/05/70/859530570.db2.gz SLGIENMNJOCWCW-HSZRJFAPSA-N 2 1 395.547 3.536 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000648715366 859540595 /nfs/dbraw/zinc/54/05/95/859540595.db2.gz UERSBYOFHVSEMU-WIYYLYMNSA-N 2 1 398.551 3.749 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(C)C ZINC000764777351 859607390 /nfs/dbraw/zinc/60/73/90/859607390.db2.gz SYHGOJVJDQWLQL-TYPHKJRUSA-N 2 1 375.557 3.790 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC(C)C ZINC000764777351 859607393 /nfs/dbraw/zinc/60/73/93/859607393.db2.gz SYHGOJVJDQWLQL-TYPHKJRUSA-N 2 1 375.557 3.790 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764925015 859683686 /nfs/dbraw/zinc/68/36/86/859683686.db2.gz AMEAFMSPFUGTEB-BWKNWUBXSA-N 2 1 395.591 3.906 20 0 GHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459580 859793200 /nfs/dbraw/zinc/79/32/00/859793200.db2.gz AEDJURWYUOKQFB-IFMALSPDSA-N 2 1 385.596 3.976 20 0 GHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459580 859793204 /nfs/dbraw/zinc/79/32/04/859793204.db2.gz AEDJURWYUOKQFB-IFMALSPDSA-N 2 1 385.596 3.976 20 0 GHADMP CCN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474304659 859811889 /nfs/dbraw/zinc/81/18/89/859811889.db2.gz MWYWDLGIGXWHOG-DVECYGJZSA-N 2 1 391.559 3.672 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499801869 859837759 /nfs/dbraw/zinc/83/77/59/859837759.db2.gz VZWNIJMBQHKGLS-MOPGFXCFSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175903 859848976 /nfs/dbraw/zinc/84/89/76/859848976.db2.gz SDJWHSFWAACEMJ-KDOFPFPSSA-N 2 1 395.366 3.798 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(CC(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000513543855 859877707 /nfs/dbraw/zinc/87/77/07/859877707.db2.gz AHENVPOPPKXZIO-FUHWJXTLSA-N 2 1 380.458 3.836 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001127859553 859967180 /nfs/dbraw/zinc/96/71/80/859967180.db2.gz KDWSTKPICDAVPX-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765432467 859968190 /nfs/dbraw/zinc/96/81/90/859968190.db2.gz VABBCYHIYPEJOZ-WWMYMODYSA-N 2 1 393.597 3.752 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168412628 860044532 /nfs/dbraw/zinc/04/45/32/860044532.db2.gz RSLXUFDUCZCQBT-HXUWFJFHSA-N 2 1 393.547 3.509 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)cc1 ZINC000602573050 860122671 /nfs/dbraw/zinc/12/26/71/860122671.db2.gz XJFWOIMVCZRNGP-HNNXBMFYSA-N 2 1 395.507 3.720 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H]3CCCCC34CC[NH2+]CC4)n2)cn1 ZINC000904092653 860139525 /nfs/dbraw/zinc/13/95/25/860139525.db2.gz SLYLXZOCINBRBI-KRWDZBQOSA-N 2 1 378.480 3.653 20 0 GHADMP C[C@H]1CC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168035755 860169960 /nfs/dbraw/zinc/16/99/60/860169960.db2.gz UWWHCRZTKAFSIX-IRXDYDNUSA-N 2 1 379.504 3.549 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccsc1 ZINC000533819459 860238638 /nfs/dbraw/zinc/23/86/38/860238638.db2.gz OIAIBTYYSNPFBC-UXHICEINSA-N 2 1 386.565 3.617 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccsc1 ZINC000533819459 860238647 /nfs/dbraw/zinc/23/86/47/860238647.db2.gz OIAIBTYYSNPFBC-UXHICEINSA-N 2 1 386.565 3.617 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000535295294 860260287 /nfs/dbraw/zinc/26/02/87/860260287.db2.gz PAPDEYNLUPSJDI-HSZRJFAPSA-N 2 1 392.547 3.658 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000535295294 860260301 /nfs/dbraw/zinc/26/03/01/860260301.db2.gz PAPDEYNLUPSJDI-HSZRJFAPSA-N 2 1 392.547 3.658 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536175901 860270368 /nfs/dbraw/zinc/27/03/68/860270368.db2.gz XTFADIYWHSSLKK-HKUYNNGSSA-N 2 1 381.358 3.509 20 0 GHADMP O=C1COc2ccc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cc2N1 ZINC000508966137 860316966 /nfs/dbraw/zinc/31/69/66/860316966.db2.gz VRVGHTDDLFQMBH-UHFFFAOYSA-N 2 1 391.515 3.506 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](CNC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000191832349 860359900 /nfs/dbraw/zinc/35/99/00/860359900.db2.gz VOMXCVMHNWAYGH-XMMPIXPASA-N 2 1 385.596 3.664 20 0 GHADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475356 860467886 /nfs/dbraw/zinc/46/78/86/860467886.db2.gz OBSDTRAXPVBUSV-OFNKIYASSA-N 2 1 375.472 3.589 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC000598639535 860467882 /nfs/dbraw/zinc/46/78/82/860467882.db2.gz TWNITSFHOKLCDC-ICSRJNTNSA-N 2 1 395.547 3.611 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000904657781 860535604 /nfs/dbraw/zinc/53/56/04/860535604.db2.gz BHGCTMSXVZUOJB-KRWDZBQOSA-N 2 1 392.425 3.560 20 0 GHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904648226 860543465 /nfs/dbraw/zinc/54/34/65/860543465.db2.gz KAGDZCDXNAPUDG-HTAPYJJXSA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904648226 860543472 /nfs/dbraw/zinc/54/34/72/860543472.db2.gz KAGDZCDXNAPUDG-HTAPYJJXSA-N 2 1 395.551 3.613 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000856584402 881553917 /nfs/dbraw/zinc/55/39/17/881553917.db2.gz JKYQREOHGJPIAE-IBGZPJMESA-N 2 1 394.441 3.600 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000856584402 881553928 /nfs/dbraw/zinc/55/39/28/881553928.db2.gz JKYQREOHGJPIAE-IBGZPJMESA-N 2 1 394.441 3.600 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000856584402 881553944 /nfs/dbraw/zinc/55/39/44/881553944.db2.gz JKYQREOHGJPIAE-IBGZPJMESA-N 2 1 394.441 3.600 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000509023872 860580959 /nfs/dbraw/zinc/58/09/59/860580959.db2.gz OWOIITHIPOOTTL-FQEVSTJZSA-N 2 1 394.991 3.706 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)(C)C ZINC000116426050 860634015 /nfs/dbraw/zinc/63/40/15/860634015.db2.gz LWIVOASDJYPXRI-HKUYNNGSSA-N 2 1 394.629 3.626 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)(C)C ZINC000116426053 860634119 /nfs/dbraw/zinc/63/41/19/860634119.db2.gz LWIVOASDJYPXRI-IEBWSBKVSA-N 2 1 394.629 3.626 20 0 GHADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522469763 860720966 /nfs/dbraw/zinc/72/09/66/860720966.db2.gz OPDTYBSWSHYLCA-RDPSFJRHSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247790069 860757560 /nfs/dbraw/zinc/75/75/60/860757560.db2.gz YZSYVUIAFYSIGS-JKIFEVAISA-N 2 1 396.413 3.692 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247790069 860757564 /nfs/dbraw/zinc/75/75/64/860757564.db2.gz YZSYVUIAFYSIGS-JKIFEVAISA-N 2 1 396.413 3.692 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603884 881577272 /nfs/dbraw/zinc/57/72/72/881577272.db2.gz GAIVJOVKRAARRH-YADHBBJMSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603884 881577278 /nfs/dbraw/zinc/57/72/78/881577278.db2.gz GAIVJOVKRAARRH-YADHBBJMSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603884 881577282 /nfs/dbraw/zinc/57/72/82/881577282.db2.gz GAIVJOVKRAARRH-YADHBBJMSA-N 2 1 387.568 3.867 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1(C)C ZINC000623364018 860924208 /nfs/dbraw/zinc/92/42/08/860924208.db2.gz PDYUIJUVXRUOPA-SFHVURJKSA-N 2 1 395.385 3.960 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000623426189 861050367 /nfs/dbraw/zinc/05/03/67/861050367.db2.gz DEVALNIJOHWLLH-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623426189 861050377 /nfs/dbraw/zinc/05/03/77/861050377.db2.gz DEVALNIJOHWLLH-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623426189 861050389 /nfs/dbraw/zinc/05/03/89/861050389.db2.gz DEVALNIJOHWLLH-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[NH+](C)C2)cc1 ZINC000623454386 861080977 /nfs/dbraw/zinc/08/09/77/861080977.db2.gz BXXXNCXYRPSCAS-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623454386 861080991 /nfs/dbraw/zinc/08/09/91/861080991.db2.gz BXXXNCXYRPSCAS-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623454386 861081008 /nfs/dbraw/zinc/08/10/08/861081008.db2.gz BXXXNCXYRPSCAS-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000159033186 863202317 /nfs/dbraw/zinc/20/23/17/863202317.db2.gz OMIKVWIFAKWQNQ-SPEDKVCISA-N 2 1 386.561 3.651 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000159033186 863202328 /nfs/dbraw/zinc/20/23/28/863202328.db2.gz OMIKVWIFAKWQNQ-SPEDKVCISA-N 2 1 386.561 3.651 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000482542188 863281899 /nfs/dbraw/zinc/28/18/99/863281899.db2.gz WPKQCQQRRQELTL-VWLOTQADSA-N 2 1 379.592 3.848 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000605852740 863287058 /nfs/dbraw/zinc/28/70/58/863287058.db2.gz PELLIKAKZIFBHJ-RTWAWAEBSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000605852740 863287070 /nfs/dbraw/zinc/28/70/70/863287070.db2.gz PELLIKAKZIFBHJ-RTWAWAEBSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000605852740 863287083 /nfs/dbraw/zinc/28/70/83/863287083.db2.gz PELLIKAKZIFBHJ-RTWAWAEBSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000605852740 863287092 /nfs/dbraw/zinc/28/70/92/863287092.db2.gz PELLIKAKZIFBHJ-RTWAWAEBSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000605988057 863328551 /nfs/dbraw/zinc/32/85/51/863328551.db2.gz KYJCJLDTGIIIGR-NHCUHLMSSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)cc1 ZINC000183145174 863486181 /nfs/dbraw/zinc/48/61/81/863486181.db2.gz RQVALTIIELJLAF-CQSZACIVSA-N 2 1 381.480 3.756 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2F)cc1 ZINC000183151379 863488704 /nfs/dbraw/zinc/48/87/04/863488704.db2.gz SRQPAUKPQPVJGL-HOTGVXAUSA-N 2 1 380.467 3.675 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)C1 ZINC000856721481 881687003 /nfs/dbraw/zinc/68/70/03/881687003.db2.gz LBFOTBMOZHCTQX-LEWJYISDSA-N 2 1 381.520 3.656 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856728250 881695772 /nfs/dbraw/zinc/69/57/72/881695772.db2.gz PARKEBBNPMOYMN-IBGZPJMESA-N 2 1 384.630 3.710 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856728250 881695777 /nfs/dbraw/zinc/69/57/77/881695777.db2.gz PARKEBBNPMOYMN-IBGZPJMESA-N 2 1 384.630 3.710 20 0 GHADMP O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606902936 863926694 /nfs/dbraw/zinc/92/66/94/863926694.db2.gz GVIVURWYTMCDCD-UXHICEINSA-N 2 1 377.532 3.573 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000120765865 881712675 /nfs/dbraw/zinc/71/26/75/881712675.db2.gz WUOSIQDTXPAVOO-SFHVURJKSA-N 2 1 393.597 3.532 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000120765865 881712692 /nfs/dbraw/zinc/71/26/92/881712692.db2.gz WUOSIQDTXPAVOO-SFHVURJKSA-N 2 1 393.597 3.532 20 0 GHADMP C[C@@H]1CC([N@@H+]2CCC[C@@H](Oc3cnccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054698 863982387 /nfs/dbraw/zinc/98/23/87/863982387.db2.gz ALXWXYLJRSDQMJ-WOIUINJBSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1CC([N@H+]2CCC[C@@H](Oc3cnccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054698 863982401 /nfs/dbraw/zinc/98/24/01/863982401.db2.gz ALXWXYLJRSDQMJ-WOIUINJBSA-N 2 1 380.536 3.761 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000480082713 864030683 /nfs/dbraw/zinc/03/06/83/864030683.db2.gz ISADRDQGZDHIGH-VXKWHMMOSA-N 2 1 379.633 3.902 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)C[C@@H]3C2)cc1 ZINC000898517577 864074384 /nfs/dbraw/zinc/07/43/84/864074384.db2.gz QMGMJIZFFTWWTJ-WBADGQHESA-N 2 1 384.564 3.605 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000898517602 864074880 /nfs/dbraw/zinc/07/48/80/864074880.db2.gz RMKZPYFZFHISTR-TZRRMPRUSA-N 2 1 391.559 3.779 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000607166560 864129286 /nfs/dbraw/zinc/12/92/86/864129286.db2.gz JSLYEUFRRPDYHH-ILXRZTDVSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000607166560 864129291 /nfs/dbraw/zinc/12/92/91/864129291.db2.gz JSLYEUFRRPDYHH-ILXRZTDVSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000607166560 864129295 /nfs/dbraw/zinc/12/92/95/864129295.db2.gz JSLYEUFRRPDYHH-ILXRZTDVSA-N 2 1 375.340 3.538 20 0 GHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000607173947 864135526 /nfs/dbraw/zinc/13/55/26/864135526.db2.gz HUOLBGMXJAIVEY-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000607173947 864135532 /nfs/dbraw/zinc/13/55/32/864135532.db2.gz HUOLBGMXJAIVEY-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000607173947 864135538 /nfs/dbraw/zinc/13/55/38/864135538.db2.gz HUOLBGMXJAIVEY-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000607173950 864135587 /nfs/dbraw/zinc/13/55/87/864135587.db2.gz HUOLBGMXJAIVEY-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000607173950 864135594 /nfs/dbraw/zinc/13/55/94/864135594.db2.gz HUOLBGMXJAIVEY-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000607173950 864135601 /nfs/dbraw/zinc/13/56/01/864135601.db2.gz HUOLBGMXJAIVEY-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475108956 864189654 /nfs/dbraw/zinc/18/96/54/864189654.db2.gz PKCZEVIBLPJZOK-JOCHJYFZSA-N 2 1 398.595 3.747 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000607238776 864201364 /nfs/dbraw/zinc/20/13/64/864201364.db2.gz URTAUELAOFJBBC-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000607383902 864329391 /nfs/dbraw/zinc/32/93/91/864329391.db2.gz CQXTYPKDGSHOSM-HSZRJFAPSA-N 2 1 379.548 3.561 20 0 GHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000480242482 864331188 /nfs/dbraw/zinc/33/11/88/864331188.db2.gz QLSFXSBZNDNVEN-LJQANCHMSA-N 2 1 386.971 3.984 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](CC)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256000 864340091 /nfs/dbraw/zinc/34/00/91/864340091.db2.gz YBYREXUZRYLJFF-OYDLWJJNSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NC[C@H](CC)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256000 864340101 /nfs/dbraw/zinc/34/01/01/864340101.db2.gz YBYREXUZRYLJFF-OYDLWJJNSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](CC)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256000 864340120 /nfs/dbraw/zinc/34/01/20/864340120.db2.gz YBYREXUZRYLJFF-OYDLWJJNSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256000 864340131 /nfs/dbraw/zinc/34/01/31/864340131.db2.gz YBYREXUZRYLJFF-OYDLWJJNSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H](CC)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256000 864340146 /nfs/dbraw/zinc/34/01/46/864340146.db2.gz YBYREXUZRYLJFF-OYDLWJJNSA-N 2 1 387.612 3.550 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)CC1 ZINC000621738698 864391489 /nfs/dbraw/zinc/39/14/89/864391489.db2.gz OTNQQMCLNYLINY-UHFFFAOYSA-N 2 1 395.547 3.570 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057479 864405194 /nfs/dbraw/zinc/40/51/94/864405194.db2.gz NJQWIRJWDONUAP-GMQQQROESA-N 2 1 380.536 3.680 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057479 864405199 /nfs/dbraw/zinc/40/51/99/864405199.db2.gz NJQWIRJWDONUAP-GMQQQROESA-N 2 1 380.536 3.680 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057479 864405204 /nfs/dbraw/zinc/40/52/04/864405204.db2.gz NJQWIRJWDONUAP-GMQQQROESA-N 2 1 380.536 3.680 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057479 864405208 /nfs/dbraw/zinc/40/52/08/864405208.db2.gz NJQWIRJWDONUAP-GMQQQROESA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000148150946 864410658 /nfs/dbraw/zinc/41/06/58/864410658.db2.gz INZWYISTCQSVIR-UNMCSNQZSA-N 2 1 378.520 3.896 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000856814096 881767738 /nfs/dbraw/zinc/76/77/38/881767738.db2.gz XRKZGCKMHISGOK-BJLQDIEVSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000856814096 881767722 /nfs/dbraw/zinc/76/77/22/881767722.db2.gz XRKZGCKMHISGOK-BJLQDIEVSA-N 2 1 375.557 3.932 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164669613 864628326 /nfs/dbraw/zinc/62/83/26/864628326.db2.gz UUMHAMGUNSBQBQ-CQSZACIVSA-N 2 1 378.904 3.641 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000165188954 864654661 /nfs/dbraw/zinc/65/46/61/864654661.db2.gz ZOSIDHOQVHZIMV-JOCHJYFZSA-N 2 1 385.596 3.773 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000165189075 864656007 /nfs/dbraw/zinc/65/60/07/864656007.db2.gz ZOSIDHOQVHZIMV-QFIPXVFZSA-N 2 1 385.596 3.773 20 0 GHADMP COc1cc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc(OC)c1OCc1ccccc1 ZINC000622045000 864718645 /nfs/dbraw/zinc/71/86/45/864718645.db2.gz ZPAGVMUPRFJARU-FXAWDEMLSA-N 2 1 384.520 3.555 20 0 GHADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(Br)c1O ZINC000298160143 864761747 /nfs/dbraw/zinc/76/17/47/864761747.db2.gz SKVVCVRCCWZNGP-YIONKMFJSA-N 2 1 383.330 3.610 20 0 GHADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(Br)c1O ZINC000298160143 864761757 /nfs/dbraw/zinc/76/17/57/864761757.db2.gz SKVVCVRCCWZNGP-YIONKMFJSA-N 2 1 383.330 3.610 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)c1O ZINC000298160143 864761767 /nfs/dbraw/zinc/76/17/67/864761767.db2.gz SKVVCVRCCWZNGP-YIONKMFJSA-N 2 1 383.330 3.610 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)c1O ZINC000298160143 864761773 /nfs/dbraw/zinc/76/17/73/864761773.db2.gz SKVVCVRCCWZNGP-YIONKMFJSA-N 2 1 383.330 3.610 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475342500 864818356 /nfs/dbraw/zinc/81/83/56/864818356.db2.gz KHQCDEZDCWSDSC-JPXCIIHESA-N 2 1 395.513 3.902 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1)CC(C)C ZINC000475372028 864888660 /nfs/dbraw/zinc/88/86/60/864888660.db2.gz VYAFWOGBUQMRLW-UHFFFAOYSA-N 2 1 392.632 3.793 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cc(Br)ccc2o1 ZINC000667707170 864948448 /nfs/dbraw/zinc/94/84/48/864948448.db2.gz RUKLDUSXQVNTMI-HHXXYDBFSA-N 2 1 393.325 3.879 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cc(Br)ccc2o1 ZINC000667707170 864948464 /nfs/dbraw/zinc/94/84/64/864948464.db2.gz RUKLDUSXQVNTMI-HHXXYDBFSA-N 2 1 393.325 3.879 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC(F)F ZINC000192920162 865074648 /nfs/dbraw/zinc/07/46/48/865074648.db2.gz KWCYNFDRBDVYMM-SFHVURJKSA-N 2 1 376.447 3.908 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480691007 865093910 /nfs/dbraw/zinc/09/39/10/865093910.db2.gz DLFIYPDJDHHNIB-UHOSZYNNSA-N 2 1 376.566 3.680 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480691007 865093925 /nfs/dbraw/zinc/09/39/25/865093925.db2.gz DLFIYPDJDHHNIB-UHOSZYNNSA-N 2 1 376.566 3.680 20 0 GHADMP O=C(Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000899048269 865181638 /nfs/dbraw/zinc/18/16/38/865181638.db2.gz ZAYULDMIWNWKHU-UHFFFAOYSA-N 2 1 397.910 3.559 20 0 GHADMP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301539632 865412354 /nfs/dbraw/zinc/41/23/54/865412354.db2.gz MYEFJWZJAUHCKS-OAHLLOKOSA-N 2 1 378.314 3.502 20 0 GHADMP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301555458 865422104 /nfs/dbraw/zinc/42/21/04/865422104.db2.gz SBQWSUKSTXPHOX-OAHLLOKOSA-N 2 1 378.314 3.502 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2c1C ZINC000301590770 865443022 /nfs/dbraw/zinc/44/30/22/865443022.db2.gz XSFFXTYVXKFTGF-CZUORRHYSA-N 2 1 385.581 3.941 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c2c1C ZINC000301590770 865443027 /nfs/dbraw/zinc/44/30/27/865443027.db2.gz XSFFXTYVXKFTGF-CZUORRHYSA-N 2 1 385.581 3.941 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1)CC1CC1 ZINC001168425088 865474857 /nfs/dbraw/zinc/47/48/57/865474857.db2.gz ZMOKEFRJFCGUSM-JOCHJYFZSA-N 2 1 391.600 3.974 20 0 GHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)cc2)CC1 ZINC000172080573 865483279 /nfs/dbraw/zinc/48/32/79/865483279.db2.gz BNIHYKHWXXKPJD-HSZRJFAPSA-N 2 1 379.548 3.838 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1CCc1ccc(F)cc1 ZINC000481006717 865682019 /nfs/dbraw/zinc/68/20/19/865682019.db2.gz GTZJKPOQDBGAGB-UHFFFAOYSA-N 2 1 399.554 3.943 20 0 GHADMP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000671240231 865714118 /nfs/dbraw/zinc/71/41/18/865714118.db2.gz KSKBYMZMLQSYQO-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000671240231 865714126 /nfs/dbraw/zinc/71/41/26/865714126.db2.gz KSKBYMZMLQSYQO-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404797 865768260 /nfs/dbraw/zinc/76/82/60/865768260.db2.gz VJSVXMHMOCMZEE-QHCPKHFHSA-N 2 1 391.559 3.877 20 0 GHADMP C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404797 865768264 /nfs/dbraw/zinc/76/82/64/865768264.db2.gz VJSVXMHMOCMZEE-QHCPKHFHSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404797 865768269 /nfs/dbraw/zinc/76/82/69/865768269.db2.gz VJSVXMHMOCMZEE-QHCPKHFHSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404797 865768273 /nfs/dbraw/zinc/76/82/73/865768273.db2.gz VJSVXMHMOCMZEE-QHCPKHFHSA-N 2 1 391.559 3.877 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000667816065 865812882 /nfs/dbraw/zinc/81/28/82/865812882.db2.gz VSLMQTXOLRLSDB-CEMLEFRQSA-N 2 1 378.520 3.568 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481190049 865972155 /nfs/dbraw/zinc/97/21/55/865972155.db2.gz LEDHABZGJLDXEM-FGSXEWAUSA-N 2 1 381.520 3.522 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000481190049 865972167 /nfs/dbraw/zinc/97/21/67/865972167.db2.gz LEDHABZGJLDXEM-FGSXEWAUSA-N 2 1 381.520 3.522 20 0 GHADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014412 866037614 /nfs/dbraw/zinc/03/76/14/866037614.db2.gz VAPFSSKGFPXAJY-YADHBBJMSA-N 2 1 399.623 3.958 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000670264136 866055562 /nfs/dbraw/zinc/05/55/62/866055562.db2.gz VOLBNZOEEGXRDO-QHCPKHFHSA-N 2 1 399.529 3.809 20 0 GHADMP C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103597 866212280 /nfs/dbraw/zinc/21/22/80/866212280.db2.gz ZPZUYMXNZITIAK-HKUYNNGSSA-N 2 1 379.589 3.876 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000552771528 866215531 /nfs/dbraw/zinc/21/55/31/866215531.db2.gz SYJISWXOCODZEL-UHFFFAOYSA-N 2 1 375.944 3.963 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1)CC1CC1 ZINC000552786810 866226575 /nfs/dbraw/zinc/22/65/75/866226575.db2.gz ANBUWFQOAHINDE-UHFFFAOYSA-N 2 1 382.552 3.994 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1)CC1CC1 ZINC000552786810 866226589 /nfs/dbraw/zinc/22/65/89/866226589.db2.gz ANBUWFQOAHINDE-UHFFFAOYSA-N 2 1 382.552 3.994 20 0 GHADMP CC[NH+](CC)CCSCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478628850 866383238 /nfs/dbraw/zinc/38/32/38/866383238.db2.gz BLPAMCJKEJXAGA-LJQANCHMSA-N 2 1 383.646 3.565 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC=C(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000552867790 866387433 /nfs/dbraw/zinc/38/74/33/866387433.db2.gz KUMXVNZLYJTSCA-UHFFFAOYSA-N 2 1 399.554 3.638 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000456317569 866420391 /nfs/dbraw/zinc/42/03/91/866420391.db2.gz AVWYPYZDGZXHPK-FQEVSTJZSA-N 2 1 388.515 3.775 20 0 GHADMP Clc1cc(Cl)c(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000655720836 866533207 /nfs/dbraw/zinc/53/32/07/866533207.db2.gz HHUKOJFTFWGUIP-CQSZACIVSA-N 2 1 393.742 3.869 20 0 GHADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000478806785 866679682 /nfs/dbraw/zinc/67/96/82/866679682.db2.gz NTFBIVRWPOAOGV-ZRCGQRJVSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1Cl ZINC000523146095 866756615 /nfs/dbraw/zinc/75/66/15/866756615.db2.gz AOVDZHWTWILCET-PXNSSMCTSA-N 2 1 394.991 3.752 20 0 GHADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000741807810 866803465 /nfs/dbraw/zinc/80/34/65/866803465.db2.gz ZWZAWXVGQLIIFQ-GOSISDBHSA-N 2 1 387.351 3.541 20 0 GHADMP CN(C)c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206064 882032619 /nfs/dbraw/zinc/03/26/19/882032619.db2.gz ABNBNBMVRBKZFF-QFIPXVFZSA-N 2 1 392.591 3.833 20 0 GHADMP CN(C)c1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206049 882033501 /nfs/dbraw/zinc/03/35/01/882033501.db2.gz ABNBNBMVRBKZFF-JOCHJYFZSA-N 2 1 392.591 3.833 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C(C)(C)C)ccc3O)CC2)CC1 ZINC000553227211 867007986 /nfs/dbraw/zinc/00/79/86/867007986.db2.gz YAXIUPMADBRVNB-UHFFFAOYSA-N 2 1 387.568 3.825 20 0 GHADMP C[NH+](Cc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1)C1CCCCC1 ZINC000534585674 867119352 /nfs/dbraw/zinc/11/93/52/867119352.db2.gz KZNPSXQJBONKPP-IBGZPJMESA-N 2 1 375.582 3.827 20 0 GHADMP C[NH+](Cc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCSC1)C1CCCCC1 ZINC000534585674 867119355 /nfs/dbraw/zinc/11/93/55/867119355.db2.gz KZNPSXQJBONKPP-IBGZPJMESA-N 2 1 375.582 3.827 20 0 GHADMP C[NH+](CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCSC1 ZINC000534585674 867119359 /nfs/dbraw/zinc/11/93/59/867119359.db2.gz KZNPSXQJBONKPP-IBGZPJMESA-N 2 1 375.582 3.827 20 0 GHADMP C[NH+](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCSC1 ZINC000534585674 867119362 /nfs/dbraw/zinc/11/93/62/867119362.db2.gz KZNPSXQJBONKPP-IBGZPJMESA-N 2 1 375.582 3.827 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)[C@@H](C)C1 ZINC000479078555 867141291 /nfs/dbraw/zinc/14/12/91/867141291.db2.gz JLOYBJMQIMHWHW-AJSBUHFISA-N 2 1 396.579 3.976 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)[C@@H](C)C1 ZINC000479078555 867141297 /nfs/dbraw/zinc/14/12/97/867141297.db2.gz JLOYBJMQIMHWHW-AJSBUHFISA-N 2 1 396.579 3.976 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)c2c1C ZINC000553331320 867193732 /nfs/dbraw/zinc/19/37/32/867193732.db2.gz FFUGKYSTUUMPLD-CRAIPNDOSA-N 2 1 399.608 3.967 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2sc(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000189997050 882064181 /nfs/dbraw/zinc/06/41/81/882064181.db2.gz JWJOSQGBKBATLA-OCCSQVGLSA-N 2 1 379.492 3.697 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sc(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000189997050 882064200 /nfs/dbraw/zinc/06/42/00/882064200.db2.gz JWJOSQGBKBATLA-OCCSQVGLSA-N 2 1 379.492 3.697 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000523454041 867304161 /nfs/dbraw/zinc/30/41/61/867304161.db2.gz PQFNKEGRYOCPOS-OALUTQOASA-N 2 1 392.613 3.503 20 0 GHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154341124 867362120 /nfs/dbraw/zinc/36/21/20/867362120.db2.gz CFJJDDBRPBOVFP-INIZCTEOSA-N 2 1 390.572 3.936 20 0 GHADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154354953 867367525 /nfs/dbraw/zinc/36/75/25/867367525.db2.gz QRJPYPGRVAJJRN-INIZCTEOSA-N 2 1 390.572 3.936 20 0 GHADMP CCCn1ccnc1CCCN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857193170 882104270 /nfs/dbraw/zinc/10/42/70/882104270.db2.gz RTRAIXABWZPGHJ-NRFANRHFSA-N 2 1 382.552 3.807 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCc1ccccc1F ZINC000523706535 867781648 /nfs/dbraw/zinc/78/16/48/867781648.db2.gz SFGOVDRIDGJPPH-RTBURBONSA-N 2 1 397.538 3.852 20 0 GHADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965206 867837743 /nfs/dbraw/zinc/83/77/43/867837743.db2.gz OBYZPFYANOJCSA-OYRHEFFESA-N 2 1 383.580 3.764 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484615 867852538 /nfs/dbraw/zinc/85/25/38/867852538.db2.gz IASLIJISBAYHIP-UGKGYDQZSA-N 2 1 397.950 3.814 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479489973 867875582 /nfs/dbraw/zinc/87/55/82/867875582.db2.gz NVXWWLSZMKRYHS-ABQRKTDGSA-N 2 1 389.543 3.703 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479489973 867875590 /nfs/dbraw/zinc/87/55/90/867875590.db2.gz NVXWWLSZMKRYHS-ABQRKTDGSA-N 2 1 389.543 3.703 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000743262096 868032715 /nfs/dbraw/zinc/03/27/15/868032715.db2.gz PSBIMLJZIFQKFB-JKSBSHDWSA-N 2 1 388.939 3.772 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000535083201 868067346 /nfs/dbraw/zinc/06/73/46/868067346.db2.gz MTPPREQHNOLFMF-UHFFFAOYSA-N 3 1 386.628 3.769 20 0 GHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156971903 868516908 /nfs/dbraw/zinc/51/69/08/868516908.db2.gz QUXBVKXTTORFMS-AVRDEDQJSA-N 2 1 397.538 3.634 20 0 GHADMP COc1cc(OC)c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC000157085645 868551679 /nfs/dbraw/zinc/55/16/79/868551679.db2.gz XQCSZMXJSZINJZ-UHFFFAOYSA-N 2 1 398.547 3.552 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000479869959 868633618 /nfs/dbraw/zinc/63/36/18/868633618.db2.gz APNXCRJOBIZMSF-HXUWFJFHSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(CC[NH+](C)C)cc3)cc2)C[C@H](C)O1 ZINC000524391756 869003506 /nfs/dbraw/zinc/00/35/06/869003506.db2.gz CDALODHIGUIDKJ-KDURUIRLSA-N 2 1 395.547 3.652 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(CC[NH+](C)C)cc3)cc2)C[C@H](C)O1 ZINC000524391756 869003521 /nfs/dbraw/zinc/00/35/21/869003521.db2.gz CDALODHIGUIDKJ-KDURUIRLSA-N 2 1 395.547 3.652 20 0 GHADMP CCC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000539437072 869121895 /nfs/dbraw/zinc/12/18/95/869121895.db2.gz XJXPRNKRUDMREX-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000539545314 869322322 /nfs/dbraw/zinc/32/23/22/869322322.db2.gz RZVHBNOFLYAMFI-OAHLLOKOSA-N 2 1 382.348 3.910 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)cc2)n1 ZINC000539824456 869831186 /nfs/dbraw/zinc/83/11/86/869831186.db2.gz FNLZKXLEERBRBH-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CO2 ZINC000539818209 869846154 /nfs/dbraw/zinc/84/61/54/869846154.db2.gz KFTJYUKGVPMEKD-HNNXBMFYSA-N 2 1 377.326 3.643 20 0 GHADMP Brc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)CO2 ZINC000539818209 869846166 /nfs/dbraw/zinc/84/61/66/869846166.db2.gz KFTJYUKGVPMEKD-HNNXBMFYSA-N 2 1 377.326 3.643 20 0 GHADMP CCc1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)o2)cc1 ZINC000539823129 869854404 /nfs/dbraw/zinc/85/44/04/869854404.db2.gz RMBYZQRUNLHLDD-WMZHIEFXSA-N 2 1 381.564 3.967 20 0 GHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539862253 869913433 /nfs/dbraw/zinc/91/34/33/869913433.db2.gz KMQMHUVJKXYAPF-QHCPKHFHSA-N 2 1 393.575 3.963 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000539895205 869981929 /nfs/dbraw/zinc/98/19/29/869981929.db2.gz TXMSEHAORXAKST-QKNQBKEWSA-N 2 1 376.541 3.558 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000539895205 869981938 /nfs/dbraw/zinc/98/19/38/869981938.db2.gz TXMSEHAORXAKST-QKNQBKEWSA-N 2 1 376.541 3.558 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2F)n1 ZINC000462801757 870121741 /nfs/dbraw/zinc/12/17/41/870121741.db2.gz JZOORTYSZTYTDO-INIZCTEOSA-N 2 1 390.572 3.873 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)CC[N@H+]1Cc1ccccc1 ZINC000462875415 870275090 /nfs/dbraw/zinc/27/50/90/870275090.db2.gz RQLODCYVYKHMFA-VEXUSMLFSA-N 2 1 379.548 3.718 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC[NH+]1Cc1ccccc1 ZINC000462875415 870275108 /nfs/dbraw/zinc/27/51/08/870275108.db2.gz RQLODCYVYKHMFA-VEXUSMLFSA-N 2 1 379.548 3.718 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC[NH+]1Cc1ccccc1 ZINC000462875415 870275128 /nfs/dbraw/zinc/27/51/28/870275128.db2.gz RQLODCYVYKHMFA-VEXUSMLFSA-N 2 1 379.548 3.718 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000446752742 870297505 /nfs/dbraw/zinc/29/75/05/870297505.db2.gz IOOWLDDWQBLIIO-GOSISDBHSA-N 2 1 376.903 3.768 20 0 GHADMP C[C@H](CCc1ccccc1F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248152659 870302820 /nfs/dbraw/zinc/30/28/20/870302820.db2.gz QXKLLUWGWVJGIH-XMSQKQJNSA-N 2 1 397.538 3.634 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248367067 870336469 /nfs/dbraw/zinc/33/64/69/870336469.db2.gz SWGRSZOWQQNKGG-RHKLGIMNSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000248367067 870336488 /nfs/dbraw/zinc/33/64/88/870336488.db2.gz SWGRSZOWQQNKGG-RHKLGIMNSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000248367067 870336510 /nfs/dbraw/zinc/33/65/10/870336510.db2.gz SWGRSZOWQQNKGG-RHKLGIMNSA-N 2 1 395.591 3.953 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248394296 870367060 /nfs/dbraw/zinc/36/70/60/870367060.db2.gz FPCINYAODZJUPJ-SCTDSRPQSA-N 2 1 393.597 3.752 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000248397324 870370884 /nfs/dbraw/zinc/37/08/84/870370884.db2.gz HXOHZMLZGBWYFS-VCOUNFBDSA-N 2 1 386.584 3.550 20 0 GHADMP C[C@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397850 870371271 /nfs/dbraw/zinc/37/12/71/870371271.db2.gz IHBAADILYYUOOS-XKCSPQBFSA-N 2 1 398.595 3.776 20 0 GHADMP Cn1c(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2c1cccc2F ZINC000248413934 870396627 /nfs/dbraw/zinc/39/66/27/870396627.db2.gz LYQCELIHFPJCQK-QKNQBKEWSA-N 2 1 392.522 3.755 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC3 ZINC000248459038 870438887 /nfs/dbraw/zinc/43/88/87/870438887.db2.gz VHJIHIIJTHXDQM-LEWJYISDSA-N 2 1 389.543 3.690 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000462944740 870478812 /nfs/dbraw/zinc/47/88/12/870478812.db2.gz KKDBCDSOJGOGSS-YJBOKZPZSA-N 2 1 378.451 3.776 20 0 GHADMP C[C@H](CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000194434046 870515957 /nfs/dbraw/zinc/51/59/57/870515957.db2.gz BYIDCWBIOFEPAB-XXBNENTESA-N 2 1 379.548 3.667 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248606525 870529211 /nfs/dbraw/zinc/52/92/11/870529211.db2.gz JZGSGUJXJSFISW-RBUKOAKNSA-N 2 1 398.954 3.596 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248606525 870529394 /nfs/dbraw/zinc/52/93/94/870529394.db2.gz JZGSGUJXJSFISW-RBUKOAKNSA-N 2 1 398.954 3.596 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1C(C)C ZINC000248681481 870589801 /nfs/dbraw/zinc/58/98/01/870589801.db2.gz DDUKJAYGLHQISX-CVDCTZTESA-N 2 1 383.584 3.802 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC001192909100 870763425 /nfs/dbraw/zinc/76/34/25/870763425.db2.gz CLOQIVHHNNKCJF-MRXNPFEDSA-N 2 1 395.416 3.569 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463058719 870778854 /nfs/dbraw/zinc/77/88/54/870778854.db2.gz VPGAOSRRQBZENV-ONTIZHBOSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463058719 870778860 /nfs/dbraw/zinc/77/88/60/870778860.db2.gz VPGAOSRRQBZENV-ONTIZHBOSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463058719 870778869 /nfs/dbraw/zinc/77/88/69/870778869.db2.gz VPGAOSRRQBZENV-ONTIZHBOSA-N 2 1 388.600 3.801 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244675 870845176 /nfs/dbraw/zinc/84/51/76/870845176.db2.gz FBZIZMVQEZDZKT-SVMVAKDDSA-N 2 1 378.532 3.867 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244675 870845186 /nfs/dbraw/zinc/84/51/86/870845186.db2.gz FBZIZMVQEZDZKT-SVMVAKDDSA-N 2 1 378.532 3.867 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1)CC1CC1 ZINC000538913942 870873685 /nfs/dbraw/zinc/87/36/85/870873685.db2.gz OVOZRAVWTXJFKZ-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168833623 870890809 /nfs/dbraw/zinc/89/08/09/870890809.db2.gz JWEVJUNJEGTABH-VQIMIIECSA-N 2 1 391.531 3.559 20 0 GHADMP C[C@@H]1C[C@@H](NCc2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463115044 870916807 /nfs/dbraw/zinc/91/68/07/870916807.db2.gz WFEXLXQUWGUXOB-OFNKIYASSA-N 2 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000463115044 870916819 /nfs/dbraw/zinc/91/68/19/870916819.db2.gz WFEXLXQUWGUXOB-OFNKIYASSA-N 2 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463115044 870916830 /nfs/dbraw/zinc/91/68/30/870916830.db2.gz WFEXLXQUWGUXOB-OFNKIYASSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463115044 870916841 /nfs/dbraw/zinc/91/68/41/870916841.db2.gz WFEXLXQUWGUXOB-OFNKIYASSA-N 3 1 381.564 3.770 20 0 GHADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299690 870939120 /nfs/dbraw/zinc/93/91/20/870939120.db2.gz QQFKNUVCXZLEBC-FUHWJXTLSA-N 2 1 385.474 3.580 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538950202 870961041 /nfs/dbraw/zinc/96/10/41/870961041.db2.gz XLIHIOKHJAIQNL-HXUWFJFHSA-N 2 1 397.607 3.794 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001170438755 882463279 /nfs/dbraw/zinc/46/32/79/882463279.db2.gz USKHSXSWBZCPOC-OFNKIYASSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001170438755 882463296 /nfs/dbraw/zinc/46/32/96/882463296.db2.gz USKHSXSWBZCPOC-OFNKIYASSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001170438755 882463306 /nfs/dbraw/zinc/46/33/06/882463306.db2.gz USKHSXSWBZCPOC-OFNKIYASSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001170438755 882463321 /nfs/dbraw/zinc/46/33/21/882463321.db2.gz USKHSXSWBZCPOC-OFNKIYASSA-N 2 1 388.552 3.559 20 0 GHADMP COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)c1 ZINC000463138015 870990237 /nfs/dbraw/zinc/99/02/37/870990237.db2.gz NWGOVPPYPACDSG-UCFCWBNQSA-N 2 1 381.564 3.941 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775591752 871033779 /nfs/dbraw/zinc/03/37/79/871033779.db2.gz PJPFXUHDXVXNGA-UHFFFAOYSA-N 2 1 389.547 3.670 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000775591752 871033802 /nfs/dbraw/zinc/03/38/02/871033802.db2.gz PJPFXUHDXVXNGA-UHFFFAOYSA-N 2 1 389.547 3.670 20 0 GHADMP COc1ccc(CN2CC[C@H]([N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)CC2=O)cc1 ZINC001168947700 871036662 /nfs/dbraw/zinc/03/66/62/871036662.db2.gz PJEKLAULYUOYQV-FKBYEOEOSA-N 2 1 399.579 3.525 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463188956 871128204 /nfs/dbraw/zinc/12/82/04/871128204.db2.gz GLKGMCRBQJVASB-OIBXWCBGSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463188956 871128214 /nfs/dbraw/zinc/12/82/14/871128214.db2.gz GLKGMCRBQJVASB-OIBXWCBGSA-N 2 1 383.580 3.810 20 0 GHADMP COc1cc2cccnc2c(N([C@H](C)CCC[NH3+])[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169091515 871200520 /nfs/dbraw/zinc/20/05/20/871200520.db2.gz SMXRXTMOWUWRBH-RSPOEFSDSA-N 2 1 382.552 3.802 20 0 GHADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001193649004 871215348 /nfs/dbraw/zinc/21/53/48/871215348.db2.gz KQULVHLWGMXNOZ-FYYLOGMGSA-N 2 1 385.596 3.978 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130881 871218599 /nfs/dbraw/zinc/21/85/99/871218599.db2.gz PHZBHOWTKVCPCJ-JYLXEMOASA-N 2 1 377.573 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCn4c(-c5ccccc5)cnc43)CC1)C2 ZINC001169133167 871221127 /nfs/dbraw/zinc/22/11/27/871221127.db2.gz CEEMRHZZXIFRMJ-WKCHPHFGSA-N 2 1 376.548 3.913 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3Br)CCOCC1)C2 ZINC001169109319 871232386 /nfs/dbraw/zinc/23/23/86/871232386.db2.gz ASUZUHPXVQYPFV-BJWYYQGGSA-N 2 1 393.369 3.712 20 0 GHADMP CC[C@H](C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)[NH+](C)C ZINC000540421112 871236802 /nfs/dbraw/zinc/23/68/02/871236802.db2.gz FOYRQMKFQYHEPX-NHCUHLMSSA-N 2 1 375.557 3.745 20 0 GHADMP CC[NH+]1CCC([NH2+]C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169240006 871339815 /nfs/dbraw/zinc/33/98/15/871339815.db2.gz AQUJTOQLRPRHJH-UHFFFAOYSA-N 2 1 387.568 3.987 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)CC1 ZINC001169254856 871353027 /nfs/dbraw/zinc/35/30/27/871353027.db2.gz JGVWJKPOMRYOIA-QFIPXVFZSA-N 2 1 381.564 3.546 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(C[C@@H](NC(=O)N(C)C)c4cc(C)ccc43)CC2)CC1 ZINC001169254693 871353249 /nfs/dbraw/zinc/35/32/49/871353249.db2.gz IFTLNSVUGYEETR-JOCHJYFZSA-N 2 1 398.595 3.529 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000461998584 871418430 /nfs/dbraw/zinc/41/84/30/871418430.db2.gz VKYLCUUVKCMYGY-UYAOXDASSA-N 2 1 394.629 3.894 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CC2)cc1 ZINC000539164463 871427115 /nfs/dbraw/zinc/42/71/15/871427115.db2.gz QVVMNGCXRMMGGX-HSZRJFAPSA-N 2 1 377.532 3.624 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000618355984 871519757 /nfs/dbraw/zinc/51/97/57/871519757.db2.gz GLAJLXHGIRCKCH-DEOSSOPVSA-N 2 1 391.559 3.671 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001169467239 871543680 /nfs/dbraw/zinc/54/36/80/871543680.db2.gz LMDHHEKPHRJYIN-SFHVURJKSA-N 2 1 377.598 3.683 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001194202830 871553666 /nfs/dbraw/zinc/55/36/66/871553666.db2.gz CKHAFDBSTOYBPE-GOSISDBHSA-N 2 1 396.535 3.756 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001169539889 871617015 /nfs/dbraw/zinc/61/70/15/871617015.db2.gz KMQOEQMYYQZWEK-WTIAFYNJSA-N 2 1 379.548 3.706 20 0 GHADMP CC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001169589818 871650754 /nfs/dbraw/zinc/65/07/54/871650754.db2.gz WHCNBRWOVORNJD-CCDWMCETSA-N 2 1 391.559 3.645 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508603121 871833757 /nfs/dbraw/zinc/83/37/57/871833757.db2.gz BYRCDLQXSMBJQW-LJQANCHMSA-N 2 1 389.609 3.620 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783671 871878785 /nfs/dbraw/zinc/87/87/85/871878785.db2.gz JTQOQZQHQBJJPJ-LADGPHEKSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783671 871878803 /nfs/dbraw/zinc/87/88/03/871878803.db2.gz JTQOQZQHQBJJPJ-LADGPHEKSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783671 871878819 /nfs/dbraw/zinc/87/88/19/871878819.db2.gz JTQOQZQHQBJJPJ-LADGPHEKSA-N 2 1 391.559 3.745 20 0 GHADMP CSc1cccc([C@H]([NH2+]CCOCC[NH+](C)C)c2cc(F)ccc2F)c1 ZINC000447598091 871914660 /nfs/dbraw/zinc/91/46/60/871914660.db2.gz HLFDNRSUDHFKHP-FQEVSTJZSA-N 2 1 380.504 3.944 20 0 GHADMP c1[nH+]c2cc(NCc3cccnc3N3CCCC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001169855380 871946351 /nfs/dbraw/zinc/94/63/51/871946351.db2.gz GSZDPPTXRCLKPZ-FQEVSTJZSA-N 2 1 390.535 3.958 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCCC4(C3)OCCO4)C[C@@H]21 ZINC001169946011 872048049 /nfs/dbraw/zinc/04/80/49/872048049.db2.gz SDZQSEZBBUEBQP-YXYSEUPNSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)C[C@@H]21 ZINC001169946011 872048072 /nfs/dbraw/zinc/04/80/72/872048072.db2.gz SDZQSEZBBUEBQP-YXYSEUPNSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCC4(C3)OCCO4)C[C@@H]21 ZINC001169946011 872048093 /nfs/dbraw/zinc/04/80/93/872048093.db2.gz SDZQSEZBBUEBQP-YXYSEUPNSA-N 2 1 390.593 3.966 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H](C)[NH+]3CCCCCC3)C2)s1 ZINC000552136203 872080872 /nfs/dbraw/zinc/08/08/72/872080872.db2.gz BTFWISCFFSBZOR-OALUTQOASA-N 2 1 377.598 3.601 20 0 GHADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000093336954 872093712 /nfs/dbraw/zinc/09/37/12/872093712.db2.gz BMXTVFZOUQBOGA-IBGZPJMESA-N 2 1 384.520 3.666 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000093336954 872093730 /nfs/dbraw/zinc/09/37/30/872093730.db2.gz BMXTVFZOUQBOGA-IBGZPJMESA-N 2 1 384.520 3.666 20 0 GHADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000093336954 872093749 /nfs/dbraw/zinc/09/37/49/872093749.db2.gz BMXTVFZOUQBOGA-IBGZPJMESA-N 2 1 384.520 3.666 20 0 GHADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000093336954 872093768 /nfs/dbraw/zinc/09/37/68/872093768.db2.gz BMXTVFZOUQBOGA-IBGZPJMESA-N 2 1 384.520 3.666 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000618948298 872162352 /nfs/dbraw/zinc/16/23/52/872162352.db2.gz AJQRQVPILADGAU-HXUWFJFHSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093705527 872353458 /nfs/dbraw/zinc/35/34/58/872353458.db2.gz MFBSRCGUZZNOIB-DLBZAZTESA-N 2 1 387.959 3.506 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093705527 872353475 /nfs/dbraw/zinc/35/34/75/872353475.db2.gz MFBSRCGUZZNOIB-DLBZAZTESA-N 2 1 387.959 3.506 20 0 GHADMP C[C@H](O)C[C@@H]1CCCC[NH+]1Cc1cccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834868 872374047 /nfs/dbraw/zinc/37/40/47/872374047.db2.gz LXWYXBQTURRXLB-TZYAJKAJSA-N 2 1 388.596 3.937 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000093769439 872407716 /nfs/dbraw/zinc/40/77/16/872407716.db2.gz IPKLOTAAUFNDSN-UHFFFAOYSA-N 2 1 388.531 3.786 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000478048379 872420193 /nfs/dbraw/zinc/42/01/93/872420193.db2.gz VPYRTIPLJRUFNC-XXBNENTESA-N 2 1 383.580 3.983 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[NH+]3CCC(C)CC3)c2C)cc1 ZINC000463733529 872436759 /nfs/dbraw/zinc/43/67/59/872436759.db2.gz DFZPKIZAUZEMLS-UHFFFAOYSA-N 2 1 384.568 3.768 20 0 GHADMP COc1ccc(OCc2ccccn2)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000552343857 872502357 /nfs/dbraw/zinc/50/23/57/872502357.db2.gz PUFBWAUNPRKFNS-HXUWFJFHSA-N 2 1 395.547 3.833 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000175756877 882623151 /nfs/dbraw/zinc/62/31/51/882623151.db2.gz TYRGIBUAMXINCF-APWZRJJASA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)C[C@H](C)O1 ZINC000478185988 872643563 /nfs/dbraw/zinc/64/35/63/872643563.db2.gz XSZDYUYEVCZKGE-HDICACEKSA-N 2 1 376.541 3.621 20 0 GHADMP COc1ccc(OC)c(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000552560768 872809199 /nfs/dbraw/zinc/80/91/99/872809199.db2.gz LWTUTMDTCZAGBC-UHFFFAOYSA-N 2 1 386.511 3.682 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CCS2 ZINC000527214666 872819704 /nfs/dbraw/zinc/81/97/04/872819704.db2.gz CNRINNASOWSEOR-FCHUYYIVSA-N 2 1 397.588 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000775688001 872906100 /nfs/dbraw/zinc/90/61/00/872906100.db2.gz FUXNTXRFSNFVQG-COPCDDAFSA-N 2 1 379.504 3.512 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(Br)nn1C ZINC000785418131 872999430 /nfs/dbraw/zinc/99/94/30/872999430.db2.gz OJQLGVMVSDSMNC-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(Br)nn1C ZINC000785418131 872999441 /nfs/dbraw/zinc/99/94/41/872999441.db2.gz OJQLGVMVSDSMNC-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000541264575 873263266 /nfs/dbraw/zinc/26/32/66/873263266.db2.gz OINUNWYWWAIBIX-QHCPKHFHSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000541264575 873263273 /nfs/dbraw/zinc/26/32/73/873263273.db2.gz OINUNWYWWAIBIX-QHCPKHFHSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000541264575 873263280 /nfs/dbraw/zinc/26/32/80/873263280.db2.gz OINUNWYWWAIBIX-QHCPKHFHSA-N 2 1 379.548 3.731 20 0 GHADMP O=C1Nc2ccccc2C12CCC([NH2+]CCC[N@@H+]1CCc3ccccc3C1)CC2 ZINC000122806464 882715500 /nfs/dbraw/zinc/71/55/00/882715500.db2.gz RTTPRBACVYZQQA-UHFFFAOYSA-N 2 1 389.543 3.857 20 0 GHADMP O=C1Nc2ccccc2C12CCC([NH2+]CCC[N@H+]1CCc3ccccc3C1)CC2 ZINC000122806464 882715517 /nfs/dbraw/zinc/71/55/17/882715517.db2.gz RTTPRBACVYZQQA-UHFFFAOYSA-N 2 1 389.543 3.857 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527647635 873400208 /nfs/dbraw/zinc/40/02/08/873400208.db2.gz NMYAOJHBTRHWEO-LBPRGKRZSA-N 2 1 383.359 3.722 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000541347620 873405311 /nfs/dbraw/zinc/40/53/11/873405311.db2.gz BJDSZNKHJWQDCV-MRXNPFEDSA-N 2 1 381.358 3.808 20 0 GHADMP Cc1[nH+]c2ccccc2c(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000541349866 873411235 /nfs/dbraw/zinc/41/12/35/873411235.db2.gz AXOFQJWWBUXUAS-QZTJIDSGSA-N 2 1 397.563 3.946 20 0 GHADMP Cc1[nH+]c2ccccc2c(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000541349867 873411891 /nfs/dbraw/zinc/41/18/91/873411891.db2.gz AXOFQJWWBUXUAS-ROUUACIJSA-N 2 1 397.563 3.946 20 0 GHADMP Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)nc1 ZINC000858012745 882719606 /nfs/dbraw/zinc/71/96/06/882719606.db2.gz LHFYYYRPWDIUPS-JOCHJYFZSA-N 2 1 394.563 3.574 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc3cc[nH]c3c2)c1)C1CCOCC1 ZINC000527652699 873447799 /nfs/dbraw/zinc/44/77/99/873447799.db2.gz IMIOUQPHZGTHPR-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc(C(F)(F)F)c1 ZINC000527690166 873457916 /nfs/dbraw/zinc/45/79/16/873457916.db2.gz GAASAXTXIDBOGM-LJQANCHMSA-N 2 1 394.437 3.570 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc(C(F)(F)F)c1 ZINC000527690159 873458028 /nfs/dbraw/zinc/45/80/28/873458028.db2.gz GAASAXTXIDBOGM-IBGZPJMESA-N 2 1 394.437 3.570 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000541431269 873566602 /nfs/dbraw/zinc/56/66/02/873566602.db2.gz LYOBQXONAKKISB-HXUWFJFHSA-N 2 1 398.595 3.970 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000541431269 873566605 /nfs/dbraw/zinc/56/66/05/873566605.db2.gz LYOBQXONAKKISB-HXUWFJFHSA-N 2 1 398.595 3.970 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000448549753 873590513 /nfs/dbraw/zinc/59/05/13/873590513.db2.gz HHSNOIUDKYCOIV-JOCHJYFZSA-N 3 1 378.564 3.942 20 0 GHADMP C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899390 873734638 /nfs/dbraw/zinc/73/46/38/873734638.db2.gz VGVCNMXKRZBBKE-STQMWFEESA-N 2 1 391.300 3.879 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000102941737 873904151 /nfs/dbraw/zinc/90/41/51/873904151.db2.gz DIWVAACQQYPTDL-BBWFWOEESA-N 2 1 390.547 3.556 20 0 GHADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000744414022 874017079 /nfs/dbraw/zinc/01/70/79/874017079.db2.gz CQMWCJVNGOOENM-SIKLNZKXSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@H](C[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1)NC(=O)OC(C)(C)C ZINC000769676254 874227873 /nfs/dbraw/zinc/22/78/73/874227873.db2.gz AMPITSZSQFHIBB-ZWKOTPCHSA-N 2 1 375.557 3.716 20 0 GHADMP C[C@H](C[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1)NC(=O)OC(C)(C)C ZINC000769676254 874227886 /nfs/dbraw/zinc/22/78/86/874227886.db2.gz AMPITSZSQFHIBB-ZWKOTPCHSA-N 2 1 375.557 3.716 20 0 GHADMP Cc1cccc(C)c1C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001198195011 874288597 /nfs/dbraw/zinc/28/85/97/874288597.db2.gz PKTNGAJXCVOIHT-NRFANRHFSA-N 2 1 393.575 3.905 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449076397 874456943 /nfs/dbraw/zinc/45/69/43/874456943.db2.gz HBRDNVQKHFRELB-UHFFFAOYSA-N 2 1 394.535 3.596 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000464777769 874472592 /nfs/dbraw/zinc/47/25/92/874472592.db2.gz PDQKWKJOVWDKCD-UXHICEINSA-N 2 1 379.548 3.819 20 0 GHADMP COc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cn2)cc1 ZINC000449109589 874484986 /nfs/dbraw/zinc/48/49/86/874484986.db2.gz ZRYWJEOFPWRZIV-GOSISDBHSA-N 2 1 396.560 3.944 20 0 GHADMP COc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cn2)cc1 ZINC000449109589 874485000 /nfs/dbraw/zinc/48/50/00/874485000.db2.gz ZRYWJEOFPWRZIV-GOSISDBHSA-N 2 1 396.560 3.944 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000541919322 874532374 /nfs/dbraw/zinc/53/23/74/874532374.db2.gz XCWAZKVJLPBUIC-TZIWHRDSSA-N 2 1 386.923 3.910 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000541917431 874562128 /nfs/dbraw/zinc/56/21/28/874562128.db2.gz OKTCRSZFQPUYAQ-KSNOWIBYSA-N 2 1 394.559 3.901 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000541917430 874562501 /nfs/dbraw/zinc/56/25/01/874562501.db2.gz OKTCRSZFQPUYAQ-DCEDVJGZSA-N 2 1 394.559 3.901 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449324166 874707443 /nfs/dbraw/zinc/70/74/43/874707443.db2.gz CXPOLQAHHUEYLJ-SFHVURJKSA-N 2 1 388.577 3.777 20 0 GHADMP COCC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449346333 874738664 /nfs/dbraw/zinc/73/86/64/874738664.db2.gz ZGSYFEJSKKTHHL-KOENEWCDSA-N 2 1 386.580 3.710 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000542053826 874862869 /nfs/dbraw/zinc/86/28/69/874862869.db2.gz UWCDMZPBDMSFOM-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1 ZINC000528698975 874912406 /nfs/dbraw/zinc/91/24/06/874912406.db2.gz YJPJQPQMPMSYOY-JOCHJYFZSA-N 2 1 380.536 3.780 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303079996 874950181 /nfs/dbraw/zinc/95/01/81/874950181.db2.gz UMCUAEPGKGNWGM-HNNXBMFYSA-N 2 1 383.458 3.840 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508962 874974048 /nfs/dbraw/zinc/97/40/48/874974048.db2.gz VQKPGOVQGHRDBE-AZUAARDMSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508962 874974057 /nfs/dbraw/zinc/97/40/57/874974057.db2.gz VQKPGOVQGHRDBE-AZUAARDMSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508962 874974067 /nfs/dbraw/zinc/97/40/67/874974067.db2.gz VQKPGOVQGHRDBE-AZUAARDMSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508962 874974072 /nfs/dbraw/zinc/97/40/72/874974072.db2.gz VQKPGOVQGHRDBE-AZUAARDMSA-N 2 1 391.987 3.710 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5ccncc5)C4)[C@H]3C2)cc1 ZINC000449532807 875014855 /nfs/dbraw/zinc/01/48/55/875014855.db2.gz DQHGZICQVVRKRZ-VHJOFQCFSA-N 2 1 377.532 3.802 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303151429 875120927 /nfs/dbraw/zinc/12/09/27/875120927.db2.gz FMZJXSUHUHIANR-OAHLLOKOSA-N 2 1 394.357 3.584 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000542233486 875192780 /nfs/dbraw/zinc/19/27/80/875192780.db2.gz OBOABHLZPKXIQH-PKTZIBPZSA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[NH+](C)C ZINC000542388971 875490661 /nfs/dbraw/zinc/49/06/61/875490661.db2.gz ZOCNLQPKTFTILK-GOSISDBHSA-N 2 1 386.367 3.660 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000303615953 875874775 /nfs/dbraw/zinc/87/47/75/875874775.db2.gz PACZQHVCDCLSNU-QFIPXVFZSA-N 2 1 386.584 3.523 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000303647711 875898463 /nfs/dbraw/zinc/89/84/63/875898463.db2.gz SYYFOROZROZNAH-UWBMWYGXSA-N 2 1 398.595 3.746 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303647711 875898471 /nfs/dbraw/zinc/89/84/71/875898471.db2.gz SYYFOROZROZNAH-UWBMWYGXSA-N 2 1 398.595 3.746 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303647711 875898477 /nfs/dbraw/zinc/89/84/77/875898477.db2.gz SYYFOROZROZNAH-UWBMWYGXSA-N 2 1 398.595 3.746 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261695358 875909913 /nfs/dbraw/zinc/90/99/13/875909913.db2.gz HZAYIXVCCAHZFO-QXOCSCLMSA-N 2 1 397.485 3.722 20 0 GHADMP CC(C)=CCC[C@@H](C)CCN1CCn2c(CN3CCN(C)CC3)cnc2[C@@H]1C ZINC001201971497 875959704 /nfs/dbraw/zinc/95/97/04/875959704.db2.gz FFEPOTXDUKDRKI-RTWAWAEBSA-N 2 1 387.616 3.780 20 0 GHADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000106484753 876071831 /nfs/dbraw/zinc/07/18/31/876071831.db2.gz CWOHWOGVTAOACP-AWEZNQCLSA-N 2 1 382.335 3.979 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450342597 876295997 /nfs/dbraw/zinc/29/59/97/876295997.db2.gz ATGUAWCKGKOJLM-UHFFFAOYSA-N 2 1 380.458 3.789 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450342597 876296011 /nfs/dbraw/zinc/29/60/11/876296011.db2.gz ATGUAWCKGKOJLM-UHFFFAOYSA-N 2 1 380.458 3.789 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000173749184 876606863 /nfs/dbraw/zinc/60/68/63/876606863.db2.gz YNSYEBQLGGHILF-NNMXDRDESA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000173749184 876606869 /nfs/dbraw/zinc/60/68/69/876606869.db2.gz YNSYEBQLGGHILF-NNMXDRDESA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000173749184 876606874 /nfs/dbraw/zinc/60/68/74/876606874.db2.gz YNSYEBQLGGHILF-NNMXDRDESA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000173751699 876609659 /nfs/dbraw/zinc/60/96/59/876609659.db2.gz JNRJBTULUPXAGW-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000173751699 876609665 /nfs/dbraw/zinc/60/96/65/876609665.db2.gz JNRJBTULUPXAGW-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000173751699 876609671 /nfs/dbraw/zinc/60/96/71/876609671.db2.gz JNRJBTULUPXAGW-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620815 876665567 /nfs/dbraw/zinc/66/55/67/876665567.db2.gz ZCLXUSXPGLOUJC-YVCBRDFCSA-N 2 1 394.987 3.811 20 0 GHADMP C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620815 876665572 /nfs/dbraw/zinc/66/55/72/876665572.db2.gz ZCLXUSXPGLOUJC-YVCBRDFCSA-N 2 1 394.987 3.811 20 0 GHADMP C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620815 876665584 /nfs/dbraw/zinc/66/55/84/876665584.db2.gz ZCLXUSXPGLOUJC-YVCBRDFCSA-N 2 1 394.987 3.811 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4cc(Cl)ccc43)CC2)CC1 ZINC000529919264 876849974 /nfs/dbraw/zinc/84/99/74/876849974.db2.gz APRMJGSQIPGWFB-NRFANRHFSA-N 2 1 389.971 3.640 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850422105 876904217 /nfs/dbraw/zinc/90/42/17/876904217.db2.gz FPDYQUGPLHDNSA-LPHOPBHVSA-N 2 1 397.485 3.876 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000174228791 876912315 /nfs/dbraw/zinc/91/23/15/876912315.db2.gz JLBZDAVYVHZHEG-BAGYTPMASA-N 2 1 386.584 3.584 20 0 GHADMP C[NH+](CC[C@@H]1CCCO1)Cc1cc(C[N@@H+](C)CC[C@H]2CCCO2)ccc1F ZINC000450821449 876956946 /nfs/dbraw/zinc/95/69/46/876956946.db2.gz RCOSDBVFIOEYDU-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP C[NH+](CC[C@H]1CCCO1)Cc1ccc(F)c(C[N@H+](C)CC[C@@H]2CCCO2)c1 ZINC000450821449 876956958 /nfs/dbraw/zinc/95/69/58/876956958.db2.gz RCOSDBVFIOEYDU-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP C[NH+](CC[C@H]1CCCO1)Cc1ccc(F)c(C[N@@H+](C)CC[C@@H]2CCCO2)c1 ZINC000450821449 876956967 /nfs/dbraw/zinc/95/69/67/876956967.db2.gz RCOSDBVFIOEYDU-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H](C)C3CCCCC3)CC2)CC1 ZINC000530036296 877005136 /nfs/dbraw/zinc/00/51/36/877005136.db2.gz CNOZYJJMFWLRJE-IBGZPJMESA-N 2 1 377.617 3.858 20 0 GHADMP CCCC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000193069976 883086255 /nfs/dbraw/zinc/08/62/55/883086255.db2.gz NJGLUTNAEKNXKE-PMACEKPBSA-N 2 1 384.524 3.592 20 0 GHADMP CCCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000193069976 883086272 /nfs/dbraw/zinc/08/62/72/883086272.db2.gz NJGLUTNAEKNXKE-PMACEKPBSA-N 2 1 384.524 3.592 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000746632128 877174737 /nfs/dbraw/zinc/17/47/37/877174737.db2.gz SIZSMJUAHUOWPO-UHFFFAOYSA-N 2 1 385.471 3.732 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000746632128 877174753 /nfs/dbraw/zinc/17/47/53/877174753.db2.gz SIZSMJUAHUOWPO-UHFFFAOYSA-N 2 1 385.471 3.732 20 0 GHADMP C[C@@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000787303757 877329311 /nfs/dbraw/zinc/32/93/11/877329311.db2.gz SFWSYVYUCFHJKL-HLNWXESRSA-N 2 1 375.557 3.646 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000746676738 877336311 /nfs/dbraw/zinc/33/63/11/877336311.db2.gz ZAHXDTXQVRRIOM-IBGZPJMESA-N 2 1 398.576 3.996 20 0 GHADMP Clc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000530239138 877345220 /nfs/dbraw/zinc/34/52/20/877345220.db2.gz DHQBEFBTTSTSHQ-INIZCTEOSA-N 2 1 387.749 3.693 20 0 GHADMP FC(F)Oc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996710 877430993 /nfs/dbraw/zinc/43/09/93/877430993.db2.gz BAACPWPPKGAVEJ-ZDUSSCGKSA-N 2 1 375.257 3.815 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998128 877467191 /nfs/dbraw/zinc/46/71/91/877467191.db2.gz DEYJSHGDLMHFAK-QGZVFWFLSA-N 2 1 397.357 3.629 20 0 GHADMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000237750267 877960726 /nfs/dbraw/zinc/96/07/26/877960726.db2.gz DGVLJHMUQZDABO-UHFFFAOYSA-N 2 1 398.551 3.601 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000746756146 878235987 /nfs/dbraw/zinc/23/59/87/878235987.db2.gz ICXJMDGPMFJHAI-NRFANRHFSA-N 2 1 388.600 3.805 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000530664588 878258160 /nfs/dbraw/zinc/25/81/60/878258160.db2.gz GODRRCHMKGMYCD-MRXNPFEDSA-N 2 1 388.508 3.972 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccccc2C)CC1)CC1CC1 ZINC000537846701 878383176 /nfs/dbraw/zinc/38/31/76/878383176.db2.gz MUANNSZOTYXCKP-UHFFFAOYSA-N 2 1 385.596 3.787 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000285630661 912369003 /nfs/dbraw/zinc/36/90/03/912369003.db2.gz LGWCENYZQIGZIA-UHFFFAOYSA-N 2 1 379.548 3.921 20 0 GHADMP c1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1C[NH+]1CCC[C@]2(CCOC2)C1 ZINC000451896033 878653491 /nfs/dbraw/zinc/65/34/91/878653491.db2.gz FRZFLETXKAPDQG-ZEQRLZLVSA-N 2 1 384.564 3.692 20 0 GHADMP COc1ccc([C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000538060950 878783554 /nfs/dbraw/zinc/78/35/54/878783554.db2.gz VMWLXIPLGZCXEN-UNMCSNQZSA-N 2 1 385.577 3.786 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100422 878813564 /nfs/dbraw/zinc/81/35/64/878813564.db2.gz DYVKIGADNRHAQB-LSTHTHJFSA-N 2 1 393.453 3.807 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100422 878813580 /nfs/dbraw/zinc/81/35/80/878813580.db2.gz DYVKIGADNRHAQB-LSTHTHJFSA-N 2 1 393.453 3.807 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120227 878827091 /nfs/dbraw/zinc/82/70/91/878827091.db2.gz HPNZUPPSKQQAMO-SIKLNZKXSA-N 2 1 386.486 3.890 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)[C@@H](C)C2 ZINC000245989480 878830297 /nfs/dbraw/zinc/83/02/97/878830297.db2.gz QLVTZZXVZMGBFO-KUWBRRTOSA-N 2 1 391.559 3.715 20 0 GHADMP COc1ccc(Cl)cc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000530952656 878831057 /nfs/dbraw/zinc/83/10/57/878831057.db2.gz FUAIKJXDIZYXIW-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000177853878 878888941 /nfs/dbraw/zinc/88/89/41/878888941.db2.gz FXYDQIGTICMNOK-LJQANCHMSA-N 2 1 390.616 3.547 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000177862009 878891899 /nfs/dbraw/zinc/89/18/99/878891899.db2.gz LPIWMKRCTXKRPQ-OALUTQOASA-N 2 1 389.588 3.514 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000177862009 878891915 /nfs/dbraw/zinc/89/19/15/878891915.db2.gz LPIWMKRCTXKRPQ-OALUTQOASA-N 2 1 389.588 3.514 20 0 GHADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853239939 878922236 /nfs/dbraw/zinc/92/22/36/878922236.db2.gz KLSZKHYQLDUQBY-RTWAWAEBSA-N 2 1 385.552 3.752 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241666 878926306 /nfs/dbraw/zinc/92/63/06/878926306.db2.gz WTOFIUOEWDWBPK-YZGWKJHDSA-N 2 1 379.589 3.734 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177969069 878931566 /nfs/dbraw/zinc/93/15/66/878931566.db2.gz NQMABPBDDXMSEL-OAQYLSRUSA-N 3 1 395.591 3.985 20 0 GHADMP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177969069 878931578 /nfs/dbraw/zinc/93/15/78/878931578.db2.gz NQMABPBDDXMSEL-OAQYLSRUSA-N 2 1 395.591 3.985 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CCC2 ZINC000246072474 878931489 /nfs/dbraw/zinc/93/14/89/878931489.db2.gz BRVBPFBLTDVEQB-ISKFKSNPSA-N 2 1 391.559 3.860 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246094361 878964230 /nfs/dbraw/zinc/96/42/30/878964230.db2.gz NXFLBGSGSWBBGI-MSOLQXFVSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000246094361 878964236 /nfs/dbraw/zinc/96/42/36/878964236.db2.gz NXFLBGSGSWBBGI-MSOLQXFVSA-N 2 1 383.540 3.805 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246097812 878970909 /nfs/dbraw/zinc/97/09/09/878970909.db2.gz HHHAXROAVRKINC-YADHBBJMSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000246146452 879052205 /nfs/dbraw/zinc/05/22/05/879052205.db2.gz JVCFFTFCSNXZTI-JQVVWYNYSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000246146452 879052221 /nfs/dbraw/zinc/05/22/21/879052221.db2.gz JVCFFTFCSNXZTI-JQVVWYNYSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000246146452 879052239 /nfs/dbraw/zinc/05/22/39/879052239.db2.gz JVCFFTFCSNXZTI-JQVVWYNYSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000152499509 879188449 /nfs/dbraw/zinc/18/84/49/879188449.db2.gz OSERGUJYCINABO-DENIHFKCSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000152499509 879188457 /nfs/dbraw/zinc/18/84/57/879188457.db2.gz OSERGUJYCINABO-DENIHFKCSA-N 2 1 387.568 3.886 20 0 GHADMP Brc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)s1 ZINC000643061221 912441525 /nfs/dbraw/zinc/44/15/25/912441525.db2.gz REICZJSVGXXZNX-GFCCVEGCSA-N 2 1 397.342 3.525 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246307635 879368421 /nfs/dbraw/zinc/36/84/21/879368421.db2.gz NMRRTMOEGMOXHN-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000246386066 879496033 /nfs/dbraw/zinc/49/60/33/879496033.db2.gz QUXJLYWEOWDJPU-CMKODMSKSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459164 879581455 /nfs/dbraw/zinc/58/14/55/879581455.db2.gz FHKKKHLKKNAJEO-JKFKMHIGSA-N 2 1 391.559 3.966 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000246468457 879589261 /nfs/dbraw/zinc/58/92/61/879589261.db2.gz KERSLFAGTBXYJI-PNJWGLBASA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000246468457 879589274 /nfs/dbraw/zinc/58/92/74/879589274.db2.gz KERSLFAGTBXYJI-PNJWGLBASA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000246468457 879589280 /nfs/dbraw/zinc/58/92/80/879589280.db2.gz KERSLFAGTBXYJI-PNJWGLBASA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542692 879666487 /nfs/dbraw/zinc/66/64/87/879666487.db2.gz JYUVUPXAZZOEJI-HARLFGEKSA-N 2 1 387.543 3.588 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCCO2 ZINC000246832096 879819798 /nfs/dbraw/zinc/81/97/98/879819798.db2.gz BSGJDJDWHIORKP-RBUKOAKNSA-N 2 1 396.531 3.919 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000246839611 879822502 /nfs/dbraw/zinc/82/25/02/879822502.db2.gz CBZWUMDDFHODQD-ACZWYYKOSA-N 2 1 397.966 3.561 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000246839611 879822509 /nfs/dbraw/zinc/82/25/09/879822509.db2.gz CBZWUMDDFHODQD-ACZWYYKOSA-N 2 1 397.966 3.561 20 0 GHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140151 879838013 /nfs/dbraw/zinc/83/80/13/879838013.db2.gz XSBVHFDJMGIHRX-WDWDUUAGSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001170140151 879838026 /nfs/dbraw/zinc/83/80/26/879838026.db2.gz XSBVHFDJMGIHRX-WDWDUUAGSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001170140151 879838045 /nfs/dbraw/zinc/83/80/45/879838045.db2.gz XSBVHFDJMGIHRX-WDWDUUAGSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246975669 879869565 /nfs/dbraw/zinc/86/95/65/879869565.db2.gz JTEJAHZDGVCMAU-ZACQAIPSSA-N 2 1 381.948 3.536 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000247338027 879975324 /nfs/dbraw/zinc/97/53/24/879975324.db2.gz NLQVBAKXYMIGKV-FDHFVPJWSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247338027 879975328 /nfs/dbraw/zinc/97/53/28/879975328.db2.gz NLQVBAKXYMIGKV-FDHFVPJWSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247338027 879975333 /nfs/dbraw/zinc/97/53/33/879975333.db2.gz NLQVBAKXYMIGKV-FDHFVPJWSA-N 2 1 396.575 3.876 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357559 879980076 /nfs/dbraw/zinc/98/00/76/879980076.db2.gz YMQMSIYPCDRRHF-HTUUBCJYSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc2ccccc2c1 ZINC000247357559 879980084 /nfs/dbraw/zinc/98/00/84/879980084.db2.gz YMQMSIYPCDRRHF-HTUUBCJYSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc2ccccc2c1 ZINC000247357559 879980091 /nfs/dbraw/zinc/98/00/91/879980091.db2.gz YMQMSIYPCDRRHF-HTUUBCJYSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357559 879980104 /nfs/dbraw/zinc/98/01/04/879980104.db2.gz YMQMSIYPCDRRHF-HTUUBCJYSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357559 879980117 /nfs/dbraw/zinc/98/01/17/879980117.db2.gz YMQMSIYPCDRRHF-HTUUBCJYSA-N 2 1 379.548 3.822 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247659692 880041340 /nfs/dbraw/zinc/04/13/40/880041340.db2.gz XJJSXVGSBZWWDJ-RTBURBONSA-N 2 1 380.374 3.612 20 0 GHADMP CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000285989063 912527603 /nfs/dbraw/zinc/52/76/03/912527603.db2.gz IAEWBJLXSSYPCX-RBZQAINGSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cccc(Br)c21 ZINC000247947706 880091876 /nfs/dbraw/zinc/09/18/76/880091876.db2.gz DRYRMHFMGLUIMI-VKJFTORMSA-N 2 1 381.358 3.824 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(F)c1 ZINC000531677457 880306269 /nfs/dbraw/zinc/30/62/69/880306269.db2.gz DJSSUDVYSRUKBX-DNVCBOLYSA-N 2 1 377.529 3.535 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(F)c1 ZINC000531677458 880306942 /nfs/dbraw/zinc/30/69/42/880306942.db2.gz DJSSUDVYSRUKBX-HNAYVOBHSA-N 2 1 377.529 3.535 20 0 GHADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531715760 880321269 /nfs/dbraw/zinc/32/12/69/880321269.db2.gz UAJXDLSVQIVECM-AYPBNUJASA-N 2 1 395.522 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H](C)C1 ZINC000531738425 880367459 /nfs/dbraw/zinc/36/74/59/880367459.db2.gz RHGSIDGDLDOWOE-JRGCBEDISA-N 2 1 381.992 3.669 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531738425 880367476 /nfs/dbraw/zinc/36/74/76/880367476.db2.gz RHGSIDGDLDOWOE-JRGCBEDISA-N 2 1 381.992 3.669 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531738425 880367488 /nfs/dbraw/zinc/36/74/88/880367488.db2.gz RHGSIDGDLDOWOE-JRGCBEDISA-N 2 1 381.992 3.669 20 0 GHADMP COCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453053379 880401780 /nfs/dbraw/zinc/40/17/80/880401780.db2.gz AGKJAAMTFXYOFR-DNVJHFABSA-N 2 1 395.547 3.640 20 0 GHADMP COCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453053379 880401788 /nfs/dbraw/zinc/40/17/88/880401788.db2.gz AGKJAAMTFXYOFR-DNVJHFABSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(I)c1 ZINC000453112324 880481655 /nfs/dbraw/zinc/48/16/55/880481655.db2.gz CFRGCNRWQWEADM-GMXVVIOVSA-N 2 1 376.257 3.564 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(I)c1 ZINC000453112324 880481663 /nfs/dbraw/zinc/48/16/63/880481663.db2.gz CFRGCNRWQWEADM-GMXVVIOVSA-N 2 1 376.257 3.564 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453117056 880489254 /nfs/dbraw/zinc/48/92/54/880489254.db2.gz UNGKNAQGQJSBKQ-AZUAARDMSA-N 2 1 395.385 3.597 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4c(c3)[C@@H](O)CCCC4)CC2)CC1 ZINC000855546803 880580464 /nfs/dbraw/zinc/58/04/64/880580464.db2.gz OXUUKNMKSCFZPD-QHCPKHFHSA-N 2 1 399.579 3.581 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(F)cc3cccnc32)c2cccs2)CC1 ZINC000531856682 880616719 /nfs/dbraw/zinc/61/67/19/880616719.db2.gz XRRULWADQMFMLV-LJQANCHMSA-N 2 1 384.524 3.514 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000531932093 880785209 /nfs/dbraw/zinc/78/52/09/880785209.db2.gz NDFFPAUXDBEHHK-OXQOHEQNSA-N 2 1 390.572 3.593 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4cc(OC)ccc43)cc2)CC1 ZINC000531937917 880795121 /nfs/dbraw/zinc/79/51/21/880795121.db2.gz PKHSXARVNINCBT-VWLOTQADSA-N 2 1 393.575 4.000 20 0 GHADMP CCSc1cccc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)c1 ZINC000186216658 880821376 /nfs/dbraw/zinc/82/13/76/880821376.db2.gz GCPWDIPVJSAEOR-UHFFFAOYSA-N 2 1 389.609 3.565 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000453387747 880842582 /nfs/dbraw/zinc/84/25/82/880842582.db2.gz WDELCRQKDPJGJN-FHGIMWBPSA-N 2 1 396.579 3.880 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000453387747 880842587 /nfs/dbraw/zinc/84/25/87/880842587.db2.gz WDELCRQKDPJGJN-FHGIMWBPSA-N 2 1 396.579 3.880 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975749 880853272 /nfs/dbraw/zinc/85/32/72/880853272.db2.gz ZBTDYBQNBPPMQS-AVRDEDQJSA-N 2 1 397.950 3.814 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453374420 880858811 /nfs/dbraw/zinc/85/88/11/880858811.db2.gz ZIEHPMWLZXTZHR-CMMJUNJQSA-N 2 1 382.552 3.673 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000453378767 880863110 /nfs/dbraw/zinc/86/31/10/880863110.db2.gz ADWPZQUFXJDVLF-CCSDVLNMSA-N 2 1 394.563 3.673 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1OC ZINC000532016120 880931429 /nfs/dbraw/zinc/93/14/29/880931429.db2.gz SQBGFQYBOSGSTL-LEWJYISDSA-N 2 1 390.568 3.732 20 0 GHADMP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000453467756 880975164 /nfs/dbraw/zinc/97/51/64/880975164.db2.gz ZDERCSKSQNOOGE-OJJQZRKESA-N 2 1 378.560 3.992 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001168330581 881086330 /nfs/dbraw/zinc/08/63/30/881086330.db2.gz SKKCTEOHMDMIMR-CBNMVNINSA-N 2 1 387.568 3.811 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)C[C@H](C)O1 ZINC000119666169 881090091 /nfs/dbraw/zinc/09/00/91/881090091.db2.gz WDVNXFSUEBBTDC-IYBDPMFKSA-N 2 1 375.488 3.678 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)C[C@H](C)O1 ZINC000119666169 881090112 /nfs/dbraw/zinc/09/01/12/881090112.db2.gz WDVNXFSUEBBTDC-IYBDPMFKSA-N 2 1 375.488 3.678 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)o2)cc1 ZINC000132329365 881091701 /nfs/dbraw/zinc/09/17/01/881091701.db2.gz VPYMVHUQWISDJO-UHFFFAOYSA-N 2 1 393.487 3.921 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000073918963 881159714 /nfs/dbraw/zinc/15/97/14/881159714.db2.gz MWFAIHLEAPSLJL-UNMCSNQZSA-N 2 1 386.584 3.505 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC000556983945 881291734 /nfs/dbraw/zinc/29/17/34/881291734.db2.gz QXTJDZWKLUXKDL-AZUAARDMSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](n2cncn2)C1 ZINC000551051674 883185968 /nfs/dbraw/zinc/18/59/68/883185968.db2.gz QLYVIXQOOGQHBM-CPRTUUTDSA-N 2 1 379.552 3.793 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000858654079 883259033 /nfs/dbraw/zinc/25/90/33/883259033.db2.gz ILSBHCIOLMBYAC-IBGZPJMESA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000858654079 883259046 /nfs/dbraw/zinc/25/90/46/883259046.db2.gz ILSBHCIOLMBYAC-IBGZPJMESA-N 2 1 377.960 3.684 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C[C@@H]1c1ccccc1 ZINC000551087059 883265307 /nfs/dbraw/zinc/26/53/07/883265307.db2.gz LQTPOVOOINOQRL-QZTJIDSGSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C[C@@H]1c1ccccc1 ZINC000551087059 883265321 /nfs/dbraw/zinc/26/53/21/883265321.db2.gz LQTPOVOOINOQRL-QZTJIDSGSA-N 2 1 379.426 3.904 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000476986063 883542194 /nfs/dbraw/zinc/54/21/94/883542194.db2.gz QVOFUMWYGFRLGX-GHTZIAJQSA-N 2 1 378.532 3.542 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465559132 883638010 /nfs/dbraw/zinc/63/80/10/883638010.db2.gz XNQBDFWWRZBWSM-QFIPXVFZSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465559132 883638017 /nfs/dbraw/zinc/63/80/17/883638017.db2.gz XNQBDFWWRZBWSM-QFIPXVFZSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465559132 883638023 /nfs/dbraw/zinc/63/80/23/883638023.db2.gz XNQBDFWWRZBWSM-QFIPXVFZSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000859214935 883668483 /nfs/dbraw/zinc/66/84/83/883668483.db2.gz VKUPLPSHGZDWOQ-GOSISDBHSA-N 2 1 396.535 3.534 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000194221610 883722203 /nfs/dbraw/zinc/72/22/03/883722203.db2.gz UNONUHZOAFFKGD-OAQYLSRUSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(-c4ccco4)s3)CC2)C[C@H](C)O1 ZINC000194359028 883784740 /nfs/dbraw/zinc/78/47/40/883784740.db2.gz KWROMQOLSSRECC-IYBDPMFKSA-N 2 1 375.538 3.724 20 0 GHADMP CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000542509170 883890266 /nfs/dbraw/zinc/89/02/66/883890266.db2.gz NHXUIJZZQLJNCW-QHCPKHFHSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)c1 ZINC000194794931 883941514 /nfs/dbraw/zinc/94/15/14/883941514.db2.gz STPPISHWVMDJON-OAQYLSRUSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000194794931 883941523 /nfs/dbraw/zinc/94/15/23/883941523.db2.gz STPPISHWVMDJON-OAQYLSRUSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000194794931 883941533 /nfs/dbraw/zinc/94/15/33/883941533.db2.gz STPPISHWVMDJON-OAQYLSRUSA-N 2 1 377.532 3.533 20 0 GHADMP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1OCc1cccnc1 ZINC000127852406 884045367 /nfs/dbraw/zinc/04/53/67/884045367.db2.gz XCHKHOLKWUCILO-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001183748884 912793860 /nfs/dbraw/zinc/79/38/60/912793860.db2.gz MJOUAMBIEDOOLX-HSZRJFAPSA-N 2 1 395.522 3.523 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001183748884 912793865 /nfs/dbraw/zinc/79/38/65/912793865.db2.gz MJOUAMBIEDOOLX-HSZRJFAPSA-N 2 1 395.522 3.523 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000193096104 884216000 /nfs/dbraw/zinc/21/60/00/884216000.db2.gz QVWJFOBRVSROSD-HXUWFJFHSA-N 2 1 388.943 3.504 20 0 GHADMP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918622 884299324 /nfs/dbraw/zinc/29/93/24/884299324.db2.gz HGXBNBLEEUGFAE-UYAOXDASSA-N 2 1 381.520 3.524 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000666259063 884467657 /nfs/dbraw/zinc/46/76/57/884467657.db2.gz UAQCIDLQEVNOKV-BJMVGYQFSA-N 2 1 393.575 3.896 20 0 GHADMP CN(CCC(F)(F)F)[C@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000556411182 884812240 /nfs/dbraw/zinc/81/22/40/884812240.db2.gz VVXKWENZLSCRAQ-QGZVFWFLSA-N 2 1 377.882 3.949 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC001130730849 884976244 /nfs/dbraw/zinc/97/62/44/884976244.db2.gz SWAPOKLVFPDJLQ-FQEVSTJZSA-N 2 1 399.501 3.535 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001130730849 884976256 /nfs/dbraw/zinc/97/62/56/884976256.db2.gz SWAPOKLVFPDJLQ-FQEVSTJZSA-N 2 1 399.501 3.535 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001130730849 884976273 /nfs/dbraw/zinc/97/62/73/884976273.db2.gz SWAPOKLVFPDJLQ-FQEVSTJZSA-N 2 1 399.501 3.535 20 0 GHADMP CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478229 885078112 /nfs/dbraw/zinc/07/81/12/885078112.db2.gz QJWBMVUSTHUOAT-FXAWDEMLSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478229 885078129 /nfs/dbraw/zinc/07/81/29/885078129.db2.gz QJWBMVUSTHUOAT-FXAWDEMLSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478229 885078142 /nfs/dbraw/zinc/07/81/42/885078142.db2.gz QJWBMVUSTHUOAT-FXAWDEMLSA-N 2 1 392.975 3.506 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001168484024 885104900 /nfs/dbraw/zinc/10/49/00/885104900.db2.gz CPJMATLJMWEEBZ-HXUWFJFHSA-N 2 1 397.538 3.766 20 0 GHADMP CCc1nc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2n1C1CC1 ZINC000655765406 885210449 /nfs/dbraw/zinc/21/04/49/885210449.db2.gz FBSRBVYDFPWDND-FQEVSTJZSA-N 2 1 382.552 3.667 20 0 GHADMP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691529 885325340 /nfs/dbraw/zinc/32/53/40/885325340.db2.gz DIEARYKCJIFNCJ-WWNPGLIZSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000550622826 885552557 /nfs/dbraw/zinc/55/25/57/885552557.db2.gz YGZYSGFPBLBNJQ-NZQKXSOJSA-N 2 1 395.522 3.855 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000550622826 885552571 /nfs/dbraw/zinc/55/25/71/885552571.db2.gz YGZYSGFPBLBNJQ-NZQKXSOJSA-N 2 1 395.522 3.855 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000303467785 885581441 /nfs/dbraw/zinc/58/14/41/885581441.db2.gz MYRXMINWINATOG-OAQYLSRUSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000303467785 885581455 /nfs/dbraw/zinc/58/14/55/885581455.db2.gz MYRXMINWINATOG-OAQYLSRUSA-N 2 1 386.584 3.559 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000532538416 885936806 /nfs/dbraw/zinc/93/68/06/885936806.db2.gz UUBHSDAVLDUJDV-MJGOQNOKSA-N 2 1 377.598 3.852 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4C[N@H+]5CCC[C@@H]5CO4)n3)cc2)CC1 ZINC000923824807 885997885 /nfs/dbraw/zinc/99/78/85/885997885.db2.gz IUTGTFHUMFEOIF-UXHICEINSA-N 2 1 382.508 3.504 20 0 GHADMP C[C@@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537605327 886036498 /nfs/dbraw/zinc/03/64/98/886036498.db2.gz WDGMGGGBRZTNOM-IEBWSBKVSA-N 2 1 399.502 3.533 20 0 GHADMP C[C@@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537605327 886036511 /nfs/dbraw/zinc/03/65/11/886036511.db2.gz WDGMGGGBRZTNOM-IEBWSBKVSA-N 2 1 399.502 3.533 20 0 GHADMP COc1cccc2cc(C[NH2+]CCCN3CC[N@@H+](C)C[C@@H]3c3ccccc3)oc21 ZINC000915228538 886072866 /nfs/dbraw/zinc/07/28/66/886072866.db2.gz DMJLOXVQTXGOSV-JOCHJYFZSA-N 2 1 393.531 3.910 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131451900 886099164 /nfs/dbraw/zinc/09/91/64/886099164.db2.gz ZQGSELATICBXOL-AWEZNQCLSA-N 2 1 386.353 3.512 20 0 GHADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000532584859 886184497 /nfs/dbraw/zinc/18/44/97/886184497.db2.gz NTUALBURGSOZSQ-PGRDOPGGSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000532584859 886184512 /nfs/dbraw/zinc/18/45/12/886184512.db2.gz NTUALBURGSOZSQ-PGRDOPGGSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000532584859 886184524 /nfs/dbraw/zinc/18/45/24/886184524.db2.gz NTUALBURGSOZSQ-PGRDOPGGSA-N 2 1 385.577 3.617 20 0 GHADMP O=C1CC2(CCCC2)CN1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762500504 886295521 /nfs/dbraw/zinc/29/55/21/886295521.db2.gz OUUZXXOLBSKPKD-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP O=C1CC2(CCCC2)CN1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762500504 886295539 /nfs/dbraw/zinc/29/55/39/886295539.db2.gz OUUZXXOLBSKPKD-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP c1c(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000556892468 886520071 /nfs/dbraw/zinc/52/00/71/886520071.db2.gz NSCBVUNWMKBHJK-ILWGZMRPSA-N 2 1 396.604 3.812 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)c2)n1 ZINC000556892290 886521842 /nfs/dbraw/zinc/52/18/42/886521842.db2.gz JLKOYZIJWVONLF-SCTDSRPQSA-N 2 1 385.533 3.559 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC001184265007 913107573 /nfs/dbraw/zinc/10/75/73/913107573.db2.gz NQLYMTKAFZGIMC-AABGKKOBSA-N 2 1 384.545 3.925 20 0 GHADMP O[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1c(F)cccc1F ZINC000762925130 887108757 /nfs/dbraw/zinc/10/87/57/887108757.db2.gz BHZHIGSJDWGUMP-OAQYLSRUSA-N 2 1 386.486 3.986 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1ccn(C2CCCC2)n1)C1CC[NH+](C)CC1 ZINC000129051485 887255480 /nfs/dbraw/zinc/25/54/80/887255480.db2.gz XIFDQRUELURVAG-UHFFFAOYSA-N 2 1 381.568 3.818 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454260209 887770202 /nfs/dbraw/zinc/77/02/02/887770202.db2.gz GKVXPLBWFPGTIB-UHFFFAOYSA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000809738883 887774894 /nfs/dbraw/zinc/77/48/94/887774894.db2.gz NUFQJNXAWJMHLO-FQEVSTJZSA-N 2 1 375.557 3.827 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000809756088 887796814 /nfs/dbraw/zinc/79/68/14/887796814.db2.gz PKEINZOWYALVCM-FQEVSTJZSA-N 2 1 379.589 3.687 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000810426826 888493275 /nfs/dbraw/zinc/49/32/75/888493275.db2.gz YAVRXEFGEVUSEY-XQFWAAQXSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000810426826 888493280 /nfs/dbraw/zinc/49/32/80/888493280.db2.gz YAVRXEFGEVUSEY-XQFWAAQXSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000810426826 888493289 /nfs/dbraw/zinc/49/32/89/888493289.db2.gz YAVRXEFGEVUSEY-XQFWAAQXSA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000865790613 888577621 /nfs/dbraw/zinc/57/76/21/888577621.db2.gz GDOUBTWULRHLBO-TYKWCNGQSA-N 2 1 387.568 3.586 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194738181 888616435 /nfs/dbraw/zinc/61/64/35/888616435.db2.gz PSUVPQONBHQOAP-HNNXBMFYSA-N 2 1 383.458 3.840 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000916004148 888621969 /nfs/dbraw/zinc/62/19/69/888621969.db2.gz PCXZDBOYLBBWEQ-RXVVDRJESA-N 2 1 388.625 3.509 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=S)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000916004148 888621976 /nfs/dbraw/zinc/62/19/76/888621976.db2.gz PCXZDBOYLBBWEQ-RXVVDRJESA-N 2 1 388.625 3.509 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=S)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000916004148 888621986 /nfs/dbraw/zinc/62/19/86/888621986.db2.gz PCXZDBOYLBBWEQ-RXVVDRJESA-N 2 1 388.625 3.509 20 0 GHADMP CN(C(=O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C(c1ccccc1)c1ccccc1 ZINC000532720979 888725696 /nfs/dbraw/zinc/72/56/96/888725696.db2.gz LDURHFNFOHCREH-OAQYLSRUSA-N 2 1 388.515 3.837 20 0 GHADMP CN(C(=O)CN1CCC[C@@H](c2ncc[nH]2)C1)C(c1ccccc1)c1ccccc1 ZINC000532720979 888725708 /nfs/dbraw/zinc/72/57/08/888725708.db2.gz LDURHFNFOHCREH-OAQYLSRUSA-N 2 1 388.515 3.837 20 0 GHADMP c1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000532921928 889337630 /nfs/dbraw/zinc/33/76/30/889337630.db2.gz VADWOCBIYNVHJV-FGZHOGPDSA-N 2 1 384.564 3.688 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000124369439 889608712 /nfs/dbraw/zinc/60/87/12/889608712.db2.gz LYVSMOLFTFFRSE-IEBWSBKVSA-N 2 1 383.540 3.519 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000124369439 889608727 /nfs/dbraw/zinc/60/87/27/889608727.db2.gz LYVSMOLFTFFRSE-IEBWSBKVSA-N 2 1 383.540 3.519 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccnc(Cl)c2Cl)[C@@H](c2ccccc2)C1 ZINC000811473852 889659361 /nfs/dbraw/zinc/65/93/61/889659361.db2.gz OLGDKVJZKBGRSA-GOSISDBHSA-N 2 1 393.362 3.857 20 0 GHADMP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c(F)cc1F ZINC000124883914 889803047 /nfs/dbraw/zinc/80/30/47/889803047.db2.gz PUBYRUVLOUJPHA-SFTDATJTSA-N 2 1 393.522 3.682 20 0 GHADMP Cc1ccc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)cc1 ZINC000125451098 889999801 /nfs/dbraw/zinc/99/98/01/889999801.db2.gz AKALYQBVMOKAEQ-XMMPIXPASA-N 2 1 385.596 3.755 20 0 GHADMP CN(C)c1ccc(N2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122792215 890079874 /nfs/dbraw/zinc/07/98/74/890079874.db2.gz NUSCBAALVMTQAJ-UHFFFAOYSA-N 2 1 392.591 3.759 20 0 GHADMP CN(C)c1ccc(N2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122792215 890079886 /nfs/dbraw/zinc/07/98/86/890079886.db2.gz NUSCBAALVMTQAJ-UHFFFAOYSA-N 2 1 392.591 3.759 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CO[C@H]1CCCc2ccccc21 ZINC000644635993 913417009 /nfs/dbraw/zinc/41/70/09/913417009.db2.gz XJSVEYQWQFCSCP-PWWKTKHKSA-N 2 1 394.559 3.553 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2)CC1 ZINC000455051825 890251431 /nfs/dbraw/zinc/25/14/31/890251431.db2.gz FOEYZVAFXIFUEL-XMMPIXPASA-N 2 1 398.595 3.911 20 0 GHADMP c1csc([C@H](Cc2ccccc2)Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)n1 ZINC001170659550 890255868 /nfs/dbraw/zinc/25/58/68/890255868.db2.gz LFXPUUKUDBOHAF-SFHVURJKSA-N 2 1 375.501 3.874 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000455073240 890298794 /nfs/dbraw/zinc/29/87/94/890298794.db2.gz GUHSMMPAUNNUIA-RXVVDRJESA-N 2 1 390.572 3.538 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173636871 890453396 /nfs/dbraw/zinc/45/33/96/890453396.db2.gz FDQHMKAKRUKNRV-HXUWFJFHSA-N 2 1 397.567 3.624 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173636871 890453398 /nfs/dbraw/zinc/45/33/98/890453398.db2.gz FDQHMKAKRUKNRV-HXUWFJFHSA-N 2 1 397.567 3.624 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173636871 890453403 /nfs/dbraw/zinc/45/34/03/890453403.db2.gz FDQHMKAKRUKNRV-HXUWFJFHSA-N 2 1 397.567 3.624 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000126735097 890670298 /nfs/dbraw/zinc/67/02/98/890670298.db2.gz ZBEOTYYLPSHMRV-KRWDZBQOSA-N 2 1 389.490 3.886 20 0 GHADMP Cc1cc(-c2noc([C@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2)ccc1F ZINC000871785955 891010388 /nfs/dbraw/zinc/01/03/88/891010388.db2.gz PCWRSKBQFNVSIO-WWTUQBGBSA-N 2 1 387.459 3.616 20 0 GHADMP Cc1cc(-c2noc([C@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2)ccc1F ZINC000871785955 891010401 /nfs/dbraw/zinc/01/04/01/891010401.db2.gz PCWRSKBQFNVSIO-WWTUQBGBSA-N 2 1 387.459 3.616 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000237183051 891040265 /nfs/dbraw/zinc/04/02/65/891040265.db2.gz FJYNVDLFORWCEF-WIYYLYMNSA-N 2 1 397.588 3.569 20 0 GHADMP COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000459386911 891209322 /nfs/dbraw/zinc/20/93/22/891209322.db2.gz BZBJZAJJWDGLIN-NRFANRHFSA-N 2 1 379.504 3.862 20 0 GHADMP CCCCn1c(=S)n(CN2CC[N@@H+](C)C(C)(C)CC2)nc1[C@H](CC)[NH+](C)C ZINC000872694192 891304671 /nfs/dbraw/zinc/30/46/71/891304671.db2.gz JAJUDQBBTDDPJJ-KRWDZBQOSA-N 2 1 396.649 3.600 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000127948435 891330228 /nfs/dbraw/zinc/33/02/28/891330228.db2.gz FEAXZMCZLRCRFP-OALUTQOASA-N 2 1 392.613 3.552 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247291633 891363637 /nfs/dbraw/zinc/36/36/37/891363637.db2.gz FCMQNQIGPIYDIS-DXIQSLLYSA-N 2 1 397.567 3.522 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247291633 891363648 /nfs/dbraw/zinc/36/36/48/891363648.db2.gz FCMQNQIGPIYDIS-DXIQSLLYSA-N 2 1 397.567 3.522 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000248144490 891412045 /nfs/dbraw/zinc/41/20/45/891412045.db2.gz PZYBKCQOLSMTOF-PBHICJAKSA-N 2 1 375.504 3.747 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000248144490 891412056 /nfs/dbraw/zinc/41/20/56/891412056.db2.gz PZYBKCQOLSMTOF-PBHICJAKSA-N 2 1 375.504 3.747 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000128158286 891449736 /nfs/dbraw/zinc/44/97/36/891449736.db2.gz SLERUTNIOTVRNB-FQEVSTJZSA-N 2 1 383.540 3.814 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000128158286 891449740 /nfs/dbraw/zinc/44/97/40/891449740.db2.gz SLERUTNIOTVRNB-FQEVSTJZSA-N 2 1 383.540 3.814 20 0 GHADMP C[C@H]1[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC000813324651 891487685 /nfs/dbraw/zinc/48/76/85/891487685.db2.gz QJVAPAJIELGTTA-CZSZKKDXSA-N 2 1 393.575 3.660 20 0 GHADMP C[C@H]1[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC000813324651 891487692 /nfs/dbraw/zinc/48/76/92/891487692.db2.gz QJVAPAJIELGTTA-CZSZKKDXSA-N 2 1 393.575 3.660 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC1)C2 ZINC001168272349 891914928 /nfs/dbraw/zinc/91/49/28/891914928.db2.gz LKBJPLSDIRYSNZ-QFIPXVFZSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccnc(OCC[NH+](C)C)c3)cc2)C1 ZINC000497635608 892049175 /nfs/dbraw/zinc/04/91/75/892049175.db2.gz APZDATOEFYFHIS-SFHVURJKSA-N 2 1 396.535 3.506 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000124992296 892114343 /nfs/dbraw/zinc/11/43/43/892114343.db2.gz GZWIEHMZVCUARD-VFNWGFHPSA-N 2 1 381.476 3.582 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[N@H+]1Cc1ccccc1 ZINC000262343559 892266723 /nfs/dbraw/zinc/26/67/23/892266723.db2.gz SZYVHALQXUCJOW-UXDNNXFNSA-N 2 1 383.580 3.557 20 0 GHADMP O=C1CC2(CCCC2)CN1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223524 892416367 /nfs/dbraw/zinc/41/63/67/892416367.db2.gz JETONTNQDIDMEN-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695742 892658265 /nfs/dbraw/zinc/65/82/65/892658265.db2.gz IQOAQPHOTNECQO-BVSLBCMMSA-N 2 1 379.548 3.774 20 0 GHADMP CCCC[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909609 892711673 /nfs/dbraw/zinc/71/16/73/892711673.db2.gz WXYUUWCRJKXULD-SFHVURJKSA-N 2 1 385.474 3.646 20 0 GHADMP C[C@H]([NH2+]CCCN1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711885 892831703 /nfs/dbraw/zinc/83/17/03/892831703.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711885 892831722 /nfs/dbraw/zinc/83/17/22/892831722.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711885 892831743 /nfs/dbraw/zinc/83/17/43/892831743.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@H](NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508711885 892831761 /nfs/dbraw/zinc/83/17/61/892831761.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@H](NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711885 892831779 /nfs/dbraw/zinc/83/17/79/892831779.db2.gz PPMLHCMFLQAKFO-XUZZJYLKSA-N 3 1 377.576 3.935 20 0 GHADMP CCOc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000455754571 893215809 /nfs/dbraw/zinc/21/58/09/893215809.db2.gz AENLZHTWKHPULT-INIZCTEOSA-N 2 1 396.963 3.619 20 0 GHADMP COc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1F ZINC000645197622 913748905 /nfs/dbraw/zinc/74/89/05/913748905.db2.gz DMKVOLFJZMXULI-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1F ZINC000645197622 913748919 /nfs/dbraw/zinc/74/89/19/913748919.db2.gz DMKVOLFJZMXULI-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000563069570 893337107 /nfs/dbraw/zinc/33/71/07/893337107.db2.gz MKVIXWKRTQBOOU-AUUYWEPGSA-N 2 1 391.437 3.729 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000876995545 893424651 /nfs/dbraw/zinc/42/46/51/893424651.db2.gz DQVHCKQVHIMDPM-UHFFFAOYSA-N 2 1 377.529 3.624 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536666362 893481575 /nfs/dbraw/zinc/48/15/75/893481575.db2.gz IVMFMVTWJNZZAP-OXJNMPFZSA-N 2 1 389.490 3.683 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536666362 893481585 /nfs/dbraw/zinc/48/15/85/893481585.db2.gz IVMFMVTWJNZZAP-OXJNMPFZSA-N 2 1 389.490 3.683 20 0 GHADMP Cc1nn(C)c2ncc(CN3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc12 ZINC000536674889 893512551 /nfs/dbraw/zinc/51/25/51/893512551.db2.gz FJTVQHAMMGESBC-XMMPIXPASA-N 2 1 389.547 3.765 20 0 GHADMP C[NH+]1CCC(CCO)([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459487508 893601930 /nfs/dbraw/zinc/60/19/30/893601930.db2.gz YCONWEMNTFRBIV-VMPITWQZSA-N 2 1 380.532 3.715 20 0 GHADMP COc1cc(C)c(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000536709438 893613894 /nfs/dbraw/zinc/61/38/94/893613894.db2.gz BDOYMVXYVPQVEY-KDURUIRLSA-N 2 1 390.568 3.724 20 0 GHADMP COCc1noc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459526518 893730620 /nfs/dbraw/zinc/73/06/20/893730620.db2.gz OOHFFHIPXHPIRI-NRFANRHFSA-N 2 1 398.551 3.873 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686222329 893849143 /nfs/dbraw/zinc/84/91/43/893849143.db2.gz ZUAOHOXNFBQRSG-ICSRJNTNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000536832115 893944043 /nfs/dbraw/zinc/94/40/43/893944043.db2.gz JQGDTCUTMOERDE-JTHBVZDNSA-N 2 1 392.591 3.936 20 0 GHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000815562166 893999980 /nfs/dbraw/zinc/99/99/80/893999980.db2.gz YRBWNSVREGMWNW-GOSISDBHSA-N 2 1 399.510 3.646 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1)CC(C)C ZINC000536886392 894022772 /nfs/dbraw/zinc/02/27/72/894022772.db2.gz PEMHCWXMQYUGRS-SFHVURJKSA-N 2 1 391.522 3.620 20 0 GHADMP COc1ccc(OCc2nc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC000459727857 894115332 /nfs/dbraw/zinc/11/53/32/894115332.db2.gz HOPNCGDYDBBJPY-MRXNPFEDSA-N 2 1 375.538 3.552 20 0 GHADMP COc1ccc(OCc2nc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cs2)cc1 ZINC000459727854 894115525 /nfs/dbraw/zinc/11/55/25/894115525.db2.gz HOPNCGDYDBBJPY-INIZCTEOSA-N 2 1 375.538 3.552 20 0 GHADMP C([C@H](C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000878291172 894169120 /nfs/dbraw/zinc/16/91/20/894169120.db2.gz HGNKYRXJARVHSP-ZROJVYTPSA-N 2 1 390.612 3.510 20 0 GHADMP C([C@@H](C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000878291172 894169126 /nfs/dbraw/zinc/16/91/26/894169126.db2.gz HGNKYRXJARVHSP-ZROJVYTPSA-N 2 1 390.612 3.510 20 0 GHADMP C([C@@H](C[N@H+]1CC[C@H]([C@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000878291172 894169131 /nfs/dbraw/zinc/16/91/31/894169131.db2.gz HGNKYRXJARVHSP-ZROJVYTPSA-N 2 1 390.612 3.510 20 0 GHADMP CN(CC[N@@H+](C)CC/C=C/c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000537046138 894263301 /nfs/dbraw/zinc/26/33/01/894263301.db2.gz SLTKWLYLJIEXSE-GQCTYLIASA-N 2 1 394.401 3.810 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCC[C@H](c4ccccc4)O3)CC2)CC1 ZINC000878721808 894534881 /nfs/dbraw/zinc/53/48/81/894534881.db2.gz IYWPIJMVSFYNMD-DNQXCXABSA-N 2 1 385.596 3.789 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001137136695 894567245 /nfs/dbraw/zinc/56/72/45/894567245.db2.gz ZEUBBPCVLKFZHT-UHFFFAOYSA-N 2 1 384.520 3.934 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001137136695 894567256 /nfs/dbraw/zinc/56/72/56/894567256.db2.gz ZEUBBPCVLKFZHT-UHFFFAOYSA-N 2 1 384.520 3.934 20 0 GHADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000460183951 894822797 /nfs/dbraw/zinc/82/27/97/894822797.db2.gz HTNHSFAHVOKKDN-GOSISDBHSA-N 2 1 377.598 3.588 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000564538447 895063575 /nfs/dbraw/zinc/06/35/75/895063575.db2.gz WIYBSESAZHAKIL-IFMALSPDSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000564538447 895063590 /nfs/dbraw/zinc/06/35/90/895063590.db2.gz WIYBSESAZHAKIL-IFMALSPDSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC000564538447 895063600 /nfs/dbraw/zinc/06/36/00/895063600.db2.gz WIYBSESAZHAKIL-IFMALSPDSA-N 2 1 380.532 3.966 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000564619170 895127626 /nfs/dbraw/zinc/12/76/26/895127626.db2.gz PXPDFTXTLPXLDT-XZOQPEGZSA-N 2 1 383.580 3.752 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC001135714393 895150034 /nfs/dbraw/zinc/15/00/34/895150034.db2.gz IAKOXKJZXYEUNY-NHCUHLMSSA-N 2 1 387.955 3.924 20 0 GHADMP Brc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000565047452 895368951 /nfs/dbraw/zinc/36/89/51/895368951.db2.gz RPZLGTFTXFGKNO-LSDHHAIUSA-N 2 1 390.325 3.926 20 0 GHADMP Cc1cccc(C2(O)CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1C ZINC000817274539 895459899 /nfs/dbraw/zinc/45/98/99/895459899.db2.gz MWVXNLZDECPTRD-UHFFFAOYSA-N 2 1 394.559 3.619 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000565835050 895919662 /nfs/dbraw/zinc/91/96/62/895919662.db2.gz BTACFYYJYWYALA-BGYRXZFFSA-N 2 1 393.575 3.856 20 0 GHADMP C[N@@H+]1CC=C(CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000566196007 896167171 /nfs/dbraw/zinc/16/71/71/896167171.db2.gz WBIIDIIYPIGIKA-UHFFFAOYSA-N 2 1 388.581 3.648 20 0 GHADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289118152 914042192 /nfs/dbraw/zinc/04/21/92/914042192.db2.gz DGZDIUJCCQWUFU-SQMWVJLWSA-N 2 1 382.552 3.794 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566244099 896196950 /nfs/dbraw/zinc/19/69/50/896196950.db2.gz BAJVIPXXOUFVQL-OICBVUGWSA-N 2 1 389.849 3.745 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000566244099 896196960 /nfs/dbraw/zinc/19/69/60/896196960.db2.gz BAJVIPXXOUFVQL-OICBVUGWSA-N 2 1 389.849 3.745 20 0 GHADMP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000818941078 896284762 /nfs/dbraw/zinc/28/47/62/896284762.db2.gz CMCLAFVHKGBJPL-HXUWFJFHSA-N 2 1 395.330 3.649 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)c3cccc4ccccc43)c2)CCO1 ZINC000818976201 896334529 /nfs/dbraw/zinc/33/45/29/896334529.db2.gz WYBZESDLTMQRFZ-DFBJGRDBSA-N 2 1 390.527 3.884 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)c3cccc4ccccc43)c2)CCO1 ZINC000818976201 896334544 /nfs/dbraw/zinc/33/45/44/896334544.db2.gz WYBZESDLTMQRFZ-DFBJGRDBSA-N 2 1 390.527 3.884 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CCC[C@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000566484566 896334948 /nfs/dbraw/zinc/33/49/48/896334948.db2.gz UNTRTBRYYHEZEO-INIZCTEOSA-N 2 1 390.325 3.688 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282969 896525977 /nfs/dbraw/zinc/52/59/77/896525977.db2.gz DWHDGZPVYVAZBX-VWNXMTODSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333857 896576681 /nfs/dbraw/zinc/57/66/81/896576681.db2.gz RGUJTVJFPVVIPI-ZEQRLZLVSA-N 2 1 394.559 3.547 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)[nH]nc3-c3ccccc3)CC2)CC1 ZINC000566805462 896585652 /nfs/dbraw/zinc/58/56/52/896585652.db2.gz IHICEUUSDRISDK-UHFFFAOYSA-N 2 1 395.551 3.520 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136219015 896703230 /nfs/dbraw/zinc/70/32/30/896703230.db2.gz JAQKEOIAYGNVFK-NQIIRXRSSA-N 2 1 395.950 3.806 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136219015 896703239 /nfs/dbraw/zinc/70/32/39/896703239.db2.gz JAQKEOIAYGNVFK-NQIIRXRSSA-N 2 1 395.950 3.806 20 0 GHADMP Cc1ccc(-n2cc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)c(C(C)(C)C)n2)cc1 ZINC000567110371 896881838 /nfs/dbraw/zinc/88/18/38/896881838.db2.gz BFIZORUPDVSBAP-HXUWFJFHSA-N 2 1 396.579 3.666 20 0 GHADMP CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000567471368 897184811 /nfs/dbraw/zinc/18/48/11/897184811.db2.gz JQZKIRPUVPGGFQ-HZPDHXFCSA-N 2 1 397.357 3.678 20 0 GHADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc21 ZINC000567579936 897267166 /nfs/dbraw/zinc/26/71/66/897267166.db2.gz ZCCMPEQCDUCMAJ-AGILITTLSA-N 2 1 391.559 3.650 20 0 GHADMP CCC[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CC[NH2+]CC1 ZINC000567864615 897460455 /nfs/dbraw/zinc/46/04/55/897460455.db2.gz CUXVCEAFNWACPE-UHFFFAOYSA-N 2 1 380.458 3.914 20 0 GHADMP CCC[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CC[NH2+]CC1 ZINC000567864615 897460461 /nfs/dbraw/zinc/46/04/61/897460461.db2.gz CUXVCEAFNWACPE-UHFFFAOYSA-N 2 1 380.458 3.914 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(-c4ccccn4)n2)C3)cc1 ZINC000883293608 897461301 /nfs/dbraw/zinc/46/13/01/897461301.db2.gz ZKBZNROEUUCOSH-DKUWSORSSA-N 2 1 385.515 3.824 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(-c4ccccn4)n2)C3)cc1 ZINC000883293608 897461317 /nfs/dbraw/zinc/46/13/17/897461317.db2.gz ZKBZNROEUUCOSH-DKUWSORSSA-N 2 1 385.515 3.824 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000567870688 897463985 /nfs/dbraw/zinc/46/39/85/897463985.db2.gz JDEWHKHNIMHUTO-IRXDYDNUSA-N 2 1 386.458 3.848 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(Br)c1OC ZINC000567871136 897464055 /nfs/dbraw/zinc/46/40/55/897464055.db2.gz RXPFVOHLLMZJCX-JKSUJKDBSA-N 2 1 397.357 3.678 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567869695 897464210 /nfs/dbraw/zinc/46/42/10/897464210.db2.gz FQUGNDZJVFMKKU-OAQYLSRUSA-N 2 1 392.547 3.836 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567869695 897464221 /nfs/dbraw/zinc/46/42/21/897464221.db2.gz FQUGNDZJVFMKKU-OAQYLSRUSA-N 2 1 392.547 3.836 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(Br)c1OC ZINC000567871133 897464265 /nfs/dbraw/zinc/46/42/65/897464265.db2.gz RXPFVOHLLMZJCX-CVEARBPZSA-N 2 1 397.357 3.678 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000568201599 897669606 /nfs/dbraw/zinc/66/96/06/897669606.db2.gz UHNARLZGNKCHEZ-FPOVZHCZSA-N 2 1 385.577 3.665 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCCC34CCCC4)CC2)CC1 ZINC000568211204 897678350 /nfs/dbraw/zinc/67/83/50/897678350.db2.gz WEEYSSCJIRQFSY-NRFANRHFSA-N 2 1 375.601 3.802 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCc4cccc(F)c4C2)CC3)cn1 ZINC001170987480 898398998 /nfs/dbraw/zinc/39/89/98/898398998.db2.gz RYCBNUGZLKZASF-HXUWFJFHSA-N 2 1 382.527 3.547 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCc4cccc(F)c4C2)CC3)cn1 ZINC001170987480 898399009 /nfs/dbraw/zinc/39/90/09/898399009.db2.gz RYCBNUGZLKZASF-HXUWFJFHSA-N 2 1 382.527 3.547 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC000289598286 914257711 /nfs/dbraw/zinc/25/77/11/914257711.db2.gz CNJBQBDXJICWSN-UHFFFAOYSA-N 2 1 382.430 3.804 20 0 GHADMP CCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCc2ncsc2C1 ZINC000646130014 914275067 /nfs/dbraw/zinc/27/50/67/914275067.db2.gz JJTXRXHGSAKQER-IBGZPJMESA-N 2 1 378.630 3.519 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000114223956 899069907 /nfs/dbraw/zinc/06/99/07/899069907.db2.gz OLSYJIIDGNOOJO-SFHVURJKSA-N 2 1 381.476 3.654 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(-c2ccccc2)nn1C ZINC000570524791 899359008 /nfs/dbraw/zinc/35/90/08/899359008.db2.gz JWRYAFBWLBHGNZ-JWNTYJGQSA-N 2 1 382.552 3.506 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CC1 ZINC000824073288 899380732 /nfs/dbraw/zinc/38/07/32/899380732.db2.gz HRICOOVYYPWBCF-RTWAWAEBSA-N 2 1 385.552 3.979 20 0 GHADMP C[C@H]([NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824119559 899392113 /nfs/dbraw/zinc/39/21/13/899392113.db2.gz KSQUQIFLEXRLAQ-UQWVPHONSA-N 2 1 399.579 3.744 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC001136832229 899441785 /nfs/dbraw/zinc/44/17/85/899441785.db2.gz FAZSPDRZQLEAMJ-ZEQRLZLVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001136832229 899441797 /nfs/dbraw/zinc/44/17/97/899441797.db2.gz FAZSPDRZQLEAMJ-ZEQRLZLVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001136832229 899441799 /nfs/dbraw/zinc/44/17/99/899441799.db2.gz FAZSPDRZQLEAMJ-ZEQRLZLVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001136832229 899441803 /nfs/dbraw/zinc/44/18/03/899441803.db2.gz FAZSPDRZQLEAMJ-ZEQRLZLVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001136832229 899441811 /nfs/dbraw/zinc/44/18/11/899441811.db2.gz FAZSPDRZQLEAMJ-ZEQRLZLVSA-N 2 1 391.559 3.822 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000570642791 899464982 /nfs/dbraw/zinc/46/49/82/899464982.db2.gz BVKRDZWSYOLCPG-UHFFFAOYSA-N 2 1 399.457 3.720 20 0 GHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC001136847754 899506292 /nfs/dbraw/zinc/50/62/92/899506292.db2.gz DWSDUMMOASOQDV-UHFFFAOYSA-N 2 1 383.330 3.874 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC001136847754 899506299 /nfs/dbraw/zinc/50/62/99/899506299.db2.gz DWSDUMMOASOQDV-UHFFFAOYSA-N 2 1 383.330 3.874 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000824332453 899533793 /nfs/dbraw/zinc/53/37/93/899533793.db2.gz MALPMMMCPJKZNP-AGILITTLSA-N 2 1 399.579 3.745 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(C(=O)OCc4ccccc4)[nH]3)C2)CC1 ZINC000824389815 899578771 /nfs/dbraw/zinc/57/87/71/899578771.db2.gz VCNXXXZBCZYQAQ-FQEVSTJZSA-N 2 1 381.520 3.535 20 0 GHADMP Brc1ccn2cc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)nc2c1 ZINC000570857429 899642135 /nfs/dbraw/zinc/64/21/35/899642135.db2.gz FFYUPYUNOKNOOJ-UHFFFAOYSA-N 2 1 399.336 3.982 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000570865045 899650588 /nfs/dbraw/zinc/65/05/88/899650588.db2.gz MXBQUZZCWQGZPU-TZIWHRDSSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000570865045 899650596 /nfs/dbraw/zinc/65/05/96/899650596.db2.gz MXBQUZZCWQGZPU-TZIWHRDSSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000570865045 899650602 /nfs/dbraw/zinc/65/06/02/899650602.db2.gz MXBQUZZCWQGZPU-TZIWHRDSSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000570865045 899650608 /nfs/dbraw/zinc/65/06/08/899650608.db2.gz MXBQUZZCWQGZPU-TZIWHRDSSA-N 2 1 376.504 3.932 20 0 GHADMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc(OC)c1O ZINC000571125788 899751362 /nfs/dbraw/zinc/75/13/62/899751362.db2.gz JPESBDWBISCVOT-KRWDZBQOSA-N 2 1 376.541 3.886 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935622 899807844 /nfs/dbraw/zinc/80/78/44/899807844.db2.gz LVRSAJAVYICWLU-OAQYLSRUSA-N 2 1 382.495 3.653 20 0 GHADMP CC(C)c1[nH+]c(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c2ccccn21 ZINC000571647618 899935559 /nfs/dbraw/zinc/93/55/59/899935559.db2.gz YFUCTSHNNSFWPD-UHFFFAOYSA-N 2 1 392.547 3.574 20 0 GHADMP c1nc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)ccc2[nH]1 ZINC001137044489 900198883 /nfs/dbraw/zinc/19/88/83/900198883.db2.gz YUCAIVZMUYCQFZ-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)ccc2[nH]1 ZINC001137044489 900198890 /nfs/dbraw/zinc/19/88/90/900198890.db2.gz YUCAIVZMUYCQFZ-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)ccc2[nH]1 ZINC001137044489 900198895 /nfs/dbraw/zinc/19/88/95/900198895.db2.gz YUCAIVZMUYCQFZ-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)ccc2[nH]1 ZINC001137044489 900198900 /nfs/dbraw/zinc/19/89/00/900198900.db2.gz YUCAIVZMUYCQFZ-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)cc2[nH]1 ZINC001137044489 900198920 /nfs/dbraw/zinc/19/89/20/900198920.db2.gz YUCAIVZMUYCQFZ-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)cc2[nH]1 ZINC001137044489 900198923 /nfs/dbraw/zinc/19/89/23/900198923.db2.gz YUCAIVZMUYCQFZ-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)cc2[nH]1 ZINC001137044489 900198927 /nfs/dbraw/zinc/19/89/27/900198927.db2.gz YUCAIVZMUYCQFZ-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2ccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)cc2[nH]1 ZINC001137044489 900198934 /nfs/dbraw/zinc/19/89/34/900198934.db2.gz YUCAIVZMUYCQFZ-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP CCCOc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c(C)c1 ZINC000572469147 900199618 /nfs/dbraw/zinc/19/96/18/900199618.db2.gz AGTNPDQKSARUGC-UHFFFAOYSA-N 2 1 387.568 3.919 20 0 GHADMP Cc1ccc2nc(C[NH+]3CC[C@]4(C3)C[N@H+](C)C[C@@H]4COCC3CC3)ccc2c1 ZINC001137213341 900234721 /nfs/dbraw/zinc/23/47/21/900234721.db2.gz YLJGQWQVZBNYRO-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc2nc(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)ccc2c1 ZINC001137213341 900234731 /nfs/dbraw/zinc/23/47/31/900234731.db2.gz YLJGQWQVZBNYRO-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc2nc(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)ccc2c1 ZINC001137213341 900234742 /nfs/dbraw/zinc/23/47/42/900234742.db2.gz YLJGQWQVZBNYRO-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc2nc(C[N@@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)ccc2c1 ZINC001137213341 900234753 /nfs/dbraw/zinc/23/47/53/900234753.db2.gz YLJGQWQVZBNYRO-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693312 900252373 /nfs/dbraw/zinc/25/23/73/900252373.db2.gz LZGYTIKYNVXOEQ-SFTDATJTSA-N 2 1 389.584 3.579 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000774999292 914441244 /nfs/dbraw/zinc/44/12/44/914441244.db2.gz FMVGKKCMRJHRHT-UHFFFAOYSA-N 2 1 389.341 3.923 20 0 GHADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000573257678 900432760 /nfs/dbraw/zinc/43/27/60/900432760.db2.gz JVFNCMKXEJYEBH-APPDUMDISA-N 2 1 398.370 3.502 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000844300027 900689999 /nfs/dbraw/zinc/68/99/99/900689999.db2.gz IOHCXBVHLLSOAR-LAUBAEHRSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000844300027 900690006 /nfs/dbraw/zinc/69/00/06/900690006.db2.gz IOHCXBVHLLSOAR-LAUBAEHRSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[NH+]1C ZINC000844300027 900690015 /nfs/dbraw/zinc/69/00/15/900690015.db2.gz IOHCXBVHLLSOAR-LAUBAEHRSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[NH+]1C ZINC000844300027 900690020 /nfs/dbraw/zinc/69/00/20/900690020.db2.gz IOHCXBVHLLSOAR-LAUBAEHRSA-N 2 1 387.568 3.894 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329391 900702651 /nfs/dbraw/zinc/70/26/51/900702651.db2.gz NHOVUYGUKRNSKW-YWZLYKJASA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329391 900702659 /nfs/dbraw/zinc/70/26/59/900702659.db2.gz NHOVUYGUKRNSKW-YWZLYKJASA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329391 900702666 /nfs/dbraw/zinc/70/26/66/900702666.db2.gz NHOVUYGUKRNSKW-YWZLYKJASA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329391 900702676 /nfs/dbraw/zinc/70/26/76/900702676.db2.gz NHOVUYGUKRNSKW-YWZLYKJASA-N 2 1 380.504 3.822 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844355243 900754757 /nfs/dbraw/zinc/75/47/57/900754757.db2.gz MRJQBDDPWZNSSG-ZCNNSNEGSA-N 2 1 397.604 3.503 20 0 GHADMP C[N@@H+](CCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000574161583 900799700 /nfs/dbraw/zinc/79/97/00/900799700.db2.gz DSCDIPOXNGCRCF-HXUWFJFHSA-N 2 1 392.975 3.651 20 0 GHADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCC4)n3CC1)C2 ZINC001171123871 900869235 /nfs/dbraw/zinc/86/92/35/900869235.db2.gz XPAQCXPPUVUMCC-FQEVSTJZSA-N 2 1 384.955 3.548 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(-c2cnn(C)c2)c1 ZINC000574408409 900879002 /nfs/dbraw/zinc/87/90/02/900879002.db2.gz HFWFALNPTZJJRY-UHFFFAOYSA-N 2 1 390.531 3.518 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000886298663 900923099 /nfs/dbraw/zinc/92/30/99/900923099.db2.gz GNZXUOUHFQUANN-AKIFATBCSA-N 2 1 386.580 3.995 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC000886298663 900923110 /nfs/dbraw/zinc/92/31/10/900923110.db2.gz GNZXUOUHFQUANN-AKIFATBCSA-N 2 1 386.580 3.995 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(O)c4C)CC3)C2)cc1 ZINC001144117435 901085414 /nfs/dbraw/zinc/08/54/14/901085414.db2.gz XSPCOBUBYOCWIM-UHFFFAOYSA-N 2 1 380.532 3.876 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000886503695 901092257 /nfs/dbraw/zinc/09/22/57/901092257.db2.gz ACBYXNQTRMLEGV-YLJYHZDGSA-N 2 1 396.535 3.669 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886514211 901106828 /nfs/dbraw/zinc/10/68/28/901106828.db2.gz KDROGKTXIRYWMJ-WWNPGLIZSA-N 2 1 377.532 3.579 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000886526597 901125114 /nfs/dbraw/zinc/12/51/14/901125114.db2.gz OCBINPKIQKDUJH-HXUWFJFHSA-N 2 1 396.535 3.670 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000886596398 901181841 /nfs/dbraw/zinc/18/18/41/901181841.db2.gz DNEIPMHOEGUOQJ-OTWHNJEPSA-N 2 1 399.560 3.505 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000576198131 901796126 /nfs/dbraw/zinc/79/61/26/901796126.db2.gz ABNHTVDILNWSJG-QLFBSQMISA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000576198131 901796141 /nfs/dbraw/zinc/79/61/41/901796141.db2.gz ABNHTVDILNWSJG-QLFBSQMISA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000576836165 902291793 /nfs/dbraw/zinc/29/17/93/902291793.db2.gz SASRICMLRJIGBN-HLAWJBBLSA-N 2 1 375.601 3.658 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000126901006 902387932 /nfs/dbraw/zinc/38/79/32/902387932.db2.gz VUYXKWZNTLNXMF-QZTJIDSGSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000126901006 902387946 /nfs/dbraw/zinc/38/79/46/902387946.db2.gz VUYXKWZNTLNXMF-QZTJIDSGSA-N 2 1 381.549 3.892 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc4c(c3)nnn4C)C[C@@H]21 ZINC001144637231 902547986 /nfs/dbraw/zinc/54/79/86/902547986.db2.gz QZZCJNQNGKZAOG-JTAQYXEDSA-N 2 1 375.520 3.579 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)nnn4C)C[C@@H]21 ZINC001144637231 902547994 /nfs/dbraw/zinc/54/79/94/902547994.db2.gz QZZCJNQNGKZAOG-JTAQYXEDSA-N 2 1 375.520 3.579 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc4c(c3)nnn4C)C[C@@H]21 ZINC001144637231 902548002 /nfs/dbraw/zinc/54/80/02/902548002.db2.gz QZZCJNQNGKZAOG-JTAQYXEDSA-N 2 1 375.520 3.579 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)s1 ZINC000846100852 902713370 /nfs/dbraw/zinc/71/33/70/902713370.db2.gz UYDYFHUSQDMXHS-UWJYYQICSA-N 2 1 395.588 3.549 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)s1 ZINC000846100852 902713386 /nfs/dbraw/zinc/71/33/86/902713386.db2.gz UYDYFHUSQDMXHS-UWJYYQICSA-N 2 1 395.588 3.549 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)s1 ZINC000846100852 902713400 /nfs/dbraw/zinc/71/34/00/902713400.db2.gz UYDYFHUSQDMXHS-UWJYYQICSA-N 2 1 395.588 3.549 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1)CC(C)C ZINC000577424424 902759871 /nfs/dbraw/zinc/75/98/71/902759871.db2.gz HQIHJMQPFDLOSF-UHFFFAOYSA-N 2 1 387.547 3.986 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)c2cc1C(C)C ZINC000846226330 902801357 /nfs/dbraw/zinc/80/13/57/902801357.db2.gz WYJCFVKFRCVTOG-KPLVRAHFSA-N 2 1 398.547 3.943 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000264189565 902902474 /nfs/dbraw/zinc/90/24/74/902902474.db2.gz DZONZCWHMNELGR-UHFFFAOYSA-N 2 1 397.567 3.622 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000601067174 903291822 /nfs/dbraw/zinc/29/18/22/903291822.db2.gz OAGGFBAATJCUPV-SVMVAKDDSA-N 2 1 380.536 3.665 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC[C@H](n2ccnc2)C1 ZINC000601067174 903291830 /nfs/dbraw/zinc/29/18/30/903291830.db2.gz OAGGFBAATJCUPV-SVMVAKDDSA-N 2 1 380.536 3.665 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000132799150 903309889 /nfs/dbraw/zinc/30/98/89/903309889.db2.gz JJURMSAATYFZGG-KGLIPLIRSA-N 2 1 385.321 3.740 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000578006909 903439943 /nfs/dbraw/zinc/43/99/43/903439943.db2.gz XFJTZFRUICQOHW-UXHICEINSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000578006909 903439952 /nfs/dbraw/zinc/43/99/52/903439952.db2.gz XFJTZFRUICQOHW-UXHICEINSA-N 2 1 388.577 3.606 20 0 GHADMP C[C@@H](c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)[NH+]1CCOCC1 ZINC000265400083 903865964 /nfs/dbraw/zinc/86/59/64/903865964.db2.gz QCQGBGNXYNQVPD-INIZCTEOSA-N 2 1 388.556 3.511 20 0 GHADMP CCC(CC)(C[NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000578652960 904028115 /nfs/dbraw/zinc/02/81/15/904028115.db2.gz BEZBYYDTRMXXEB-UHFFFAOYSA-N 2 1 399.501 3.893 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000151140270 904076125 /nfs/dbraw/zinc/07/61/25/904076125.db2.gz PHSSNKNKEXPNFU-KRWDZBQOSA-N 2 1 390.547 3.713 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000290736316 914802684 /nfs/dbraw/zinc/80/26/84/914802684.db2.gz PRBOOFLOTCQEPD-JOCHJYFZSA-N 2 1 388.939 3.774 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000773127808 904459963 /nfs/dbraw/zinc/45/99/63/904459963.db2.gz BUPRCAIJENMANU-DUXKGJEZSA-N 2 1 387.568 3.790 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccccc3C)C3CC3)CC2)CC1 ZINC000579371730 904550135 /nfs/dbraw/zinc/55/01/35/904550135.db2.gz WEIDHFGSHULCOW-UHFFFAOYSA-N 2 1 383.580 3.682 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1)CC(C)C ZINC000773270455 904645910 /nfs/dbraw/zinc/64/59/10/904645910.db2.gz GPSNOCGRUZYDIF-UHFFFAOYSA-N 2 1 375.532 3.819 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1)CC(C)C ZINC000773270455 904645918 /nfs/dbraw/zinc/64/59/18/904645918.db2.gz GPSNOCGRUZYDIF-UHFFFAOYSA-N 2 1 375.532 3.819 20 0 GHADMP CCOC(=O)c1ccc(N2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc1 ZINC001171641023 904930539 /nfs/dbraw/zinc/93/05/39/904930539.db2.gz AMDWSGFBMYURCM-UHFFFAOYSA-N 2 1 387.568 3.637 20 0 GHADMP COCC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641682 904932203 /nfs/dbraw/zinc/93/22/03/904932203.db2.gz SYRXHONMJFTTLE-QGZVFWFLSA-N 2 1 397.604 3.596 20 0 GHADMP COCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641682 904932209 /nfs/dbraw/zinc/93/22/09/904932209.db2.gz SYRXHONMJFTTLE-QGZVFWFLSA-N 2 1 397.604 3.596 20 0 GHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC1(C)C ZINC001171641917 904932395 /nfs/dbraw/zinc/93/23/95/904932395.db2.gz VWRGYZBJLLDEMU-UHFFFAOYSA-N 2 1 393.579 3.917 20 0 GHADMP C[C@@H]1C[C@H](N(c2ccccc2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC001171752032 904979341 /nfs/dbraw/zinc/97/93/41/904979341.db2.gz PJABPNPDWPJSQO-YFJHUXEUSA-N 2 1 391.559 3.677 20 0 GHADMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccc(O)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171734171 905015656 /nfs/dbraw/zinc/01/56/56/905015656.db2.gz MEQVRCCZEZSWNO-XXBNENTESA-N 2 1 379.548 3.609 20 0 GHADMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccc(O)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171734171 905015675 /nfs/dbraw/zinc/01/56/75/905015675.db2.gz MEQVRCCZEZSWNO-XXBNENTESA-N 2 1 379.548 3.609 20 0 GHADMP C[C@H]1C[C@@H](N2CCC([NH3+])(Cc3cccc(F)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738792 905024505 /nfs/dbraw/zinc/02/45/05/905024505.db2.gz NTQKNJPGYXOUHU-WMZHIEFXSA-N 2 1 381.539 3.825 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001171799355 905059653 /nfs/dbraw/zinc/05/96/53/905059653.db2.gz NUWYZKLOIRCADF-WTIAFYNJSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C2CCCCC2)C1 ZINC001171799355 905059670 /nfs/dbraw/zinc/05/96/70/905059670.db2.gz NUWYZKLOIRCADF-WTIAFYNJSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C2CCCCC2)C1 ZINC001171799355 905059687 /nfs/dbraw/zinc/05/96/87/905059687.db2.gz NUWYZKLOIRCADF-WTIAFYNJSA-N 2 1 383.580 3.668 20 0 GHADMP CC1(C)C[C@H](N(Cc2ccccc2)C2(C[NH3+])COC2)CC[N@H+]1Cc1ccccc1 ZINC001171972655 905219349 /nfs/dbraw/zinc/21/93/49/905219349.db2.gz SBRSUJIDLKJQJI-HSZRJFAPSA-N 2 1 393.575 3.660 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CCCN(C(=O)C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977192 905222512 /nfs/dbraw/zinc/22/25/12/905222512.db2.gz YDIZZGDZEGPMEL-MSOLQXFVSA-N 2 1 397.485 3.573 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC001171983024 905239389 /nfs/dbraw/zinc/23/93/89/905239389.db2.gz MBQOTHBWPJQURS-LJQANCHMSA-N 2 1 382.504 3.827 20 0 GHADMP CC1(C)C[C@H]([NH+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001171984356 905241970 /nfs/dbraw/zinc/24/19/70/905241970.db2.gz KNDRYEYGWFYRGP-KAOXLYBCSA-N 2 1 384.564 3.555 20 0 GHADMP CC1(C)C[C@H]([NH+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001171984356 905241984 /nfs/dbraw/zinc/24/19/84/905241984.db2.gz KNDRYEYGWFYRGP-KAOXLYBCSA-N 2 1 384.564 3.555 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001171984356 905241995 /nfs/dbraw/zinc/24/19/95/905241995.db2.gz KNDRYEYGWFYRGP-KAOXLYBCSA-N 2 1 384.564 3.555 20 0 GHADMP CC1(C)C[C@H]([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001171984356 905242007 /nfs/dbraw/zinc/24/20/07/905242007.db2.gz KNDRYEYGWFYRGP-KAOXLYBCSA-N 2 1 384.564 3.555 20 0 GHADMP Cc1cc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)cc[nH+]1 ZINC001171986659 905245347 /nfs/dbraw/zinc/24/53/47/905245347.db2.gz KIGAXWKWUIYCLE-QHCPKHFHSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)ncn1 ZINC001171986776 905247872 /nfs/dbraw/zinc/24/78/72/905247872.db2.gz LIOHLVYSHSZNRV-QFIPXVFZSA-N 2 1 393.579 3.787 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(N3CC(F)(F)C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987966 905250046 /nfs/dbraw/zinc/25/00/46/905250046.db2.gz MYZWYMLPRYCUBP-HXUWFJFHSA-N 2 1 377.523 3.845 20 0 GHADMP O=C1CCCC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)N1 ZINC001172074031 905281023 /nfs/dbraw/zinc/28/10/23/905281023.db2.gz ZZGUBQXFQAKFNA-KOUNCHBCSA-N 2 1 381.564 3.707 20 0 GHADMP CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080400 905292117 /nfs/dbraw/zinc/29/21/17/905292117.db2.gz VLBXVVRTVKMUSZ-KIHHCIJBSA-N 2 1 399.623 3.909 20 0 GHADMP CC(C)(C)[C@@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080401 905292652 /nfs/dbraw/zinc/29/26/52/905292652.db2.gz VLBXVVRTVKMUSZ-UEQSERJNSA-N 2 1 399.623 3.909 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098389 905320040 /nfs/dbraw/zinc/32/00/40/905320040.db2.gz CVUMIADXZUJUQE-MUJBESKKSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098389 905320058 /nfs/dbraw/zinc/32/00/58/905320058.db2.gz CVUMIADXZUJUQE-MUJBESKKSA-N 2 1 377.573 3.627 20 0 GHADMP COCCC[NH+]1CCC(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064716 905328589 /nfs/dbraw/zinc/32/85/89/905328589.db2.gz JFRQPLNILNSPOB-BKFWDETESA-N 2 1 385.596 3.663 20 0 GHADMP COc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172063293 905329652 /nfs/dbraw/zinc/32/96/52/905329652.db2.gz BRYJIXAJOWXEEF-PIATZUFCSA-N 2 1 380.532 3.904 20 0 GHADMP COc1ccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172063293 905329669 /nfs/dbraw/zinc/32/96/69/905329669.db2.gz BRYJIXAJOWXEEF-PIATZUFCSA-N 2 1 380.532 3.904 20 0 GHADMP Cc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cn12 ZINC001172068392 905336885 /nfs/dbraw/zinc/33/68/85/905336885.db2.gz KJZYZXJYFXCCTN-DKUWSORSSA-N 2 1 375.520 3.713 20 0 GHADMP Cc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn12 ZINC001172068392 905336906 /nfs/dbraw/zinc/33/69/06/905336906.db2.gz KJZYZXJYFXCCTN-DKUWSORSSA-N 2 1 375.520 3.713 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172109481 905357684 /nfs/dbraw/zinc/35/76/84/905357684.db2.gz HCIWCLCCIRLWDU-PHXFOBDFSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172109481 905357699 /nfs/dbraw/zinc/35/76/99/905357699.db2.gz HCIWCLCCIRLWDU-PHXFOBDFSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(OCC3CCOCC3)c(F)c1)C2 ZINC001172113399 905361660 /nfs/dbraw/zinc/36/16/60/905361660.db2.gz GWIMWGPKCYGUPA-LDLYASANSA-N 2 1 394.506 3.875 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116163 905366654 /nfs/dbraw/zinc/36/66/54/905366654.db2.gz JVWQOVHIOAKMMV-KIHHCIJBSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172116163 905366671 /nfs/dbraw/zinc/36/66/71/905366671.db2.gz JVWQOVHIOAKMMV-KIHHCIJBSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116163 905366686 /nfs/dbraw/zinc/36/66/86/905366686.db2.gz JVWQOVHIOAKMMV-KIHHCIJBSA-N 2 1 397.607 3.757 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116163 905366701 /nfs/dbraw/zinc/36/67/01/905366701.db2.gz JVWQOVHIOAKMMV-KIHHCIJBSA-N 3 1 397.607 3.757 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116163 905366717 /nfs/dbraw/zinc/36/67/17/905366717.db2.gz JVWQOVHIOAKMMV-KIHHCIJBSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172116163 905366747 /nfs/dbraw/zinc/36/67/47/905366747.db2.gz JVWQOVHIOAKMMV-KIHHCIJBSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116163 905366759 /nfs/dbraw/zinc/36/67/59/905366759.db2.gz JVWQOVHIOAKMMV-KIHHCIJBSA-N 3 1 397.607 3.757 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COc3cccnc3)CC1)C2 ZINC001172118730 905377093 /nfs/dbraw/zinc/37/70/93/905377093.db2.gz YDTQMCJBPVBHKY-FNAHDJPLSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COc3cccnc3)CC1)C2 ZINC001172118730 905377108 /nfs/dbraw/zinc/37/71/08/905377108.db2.gz YDTQMCJBPVBHKY-FNAHDJPLSA-N 2 1 399.579 3.594 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172122458 905383988 /nfs/dbraw/zinc/38/39/88/905383988.db2.gz BJNWHMJIKVPSBE-ACESQOTJSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@@H]2CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172122458 905384000 /nfs/dbraw/zinc/38/40/00/905384000.db2.gz BJNWHMJIKVPSBE-ACESQOTJSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@@H]2CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172122458 905384014 /nfs/dbraw/zinc/38/40/14/905384014.db2.gz BJNWHMJIKVPSBE-ACESQOTJSA-N 2 1 385.596 3.997 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCC(=O)N3Cc3ccccc3)CC1)C2 ZINC001172123220 905385108 /nfs/dbraw/zinc/38/51/08/905385108.db2.gz YOUZWHBLFOFGQL-KOUNCHBCSA-N 2 1 381.564 3.659 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172168680 905395108 /nfs/dbraw/zinc/39/51/08/905395108.db2.gz CHVXJWTXBXVUFY-WTGUMLROSA-N 2 1 375.944 3.565 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC001172213531 905415450 /nfs/dbraw/zinc/41/54/50/905415450.db2.gz HKKHIQYIDCAWNB-OGQIYBCISA-N 2 1 390.955 3.577 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001172213531 905415456 /nfs/dbraw/zinc/41/54/56/905415456.db2.gz HKKHIQYIDCAWNB-OGQIYBCISA-N 2 1 390.955 3.577 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001172213531 905415464 /nfs/dbraw/zinc/41/54/64/905415464.db2.gz HKKHIQYIDCAWNB-OGQIYBCISA-N 2 1 390.955 3.577 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000175019718 905419143 /nfs/dbraw/zinc/41/91/43/905419143.db2.gz OSYHHCFDQBGODD-UHFFFAOYSA-N 2 1 396.503 3.982 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001172327155 905476610 /nfs/dbraw/zinc/47/66/10/905476610.db2.gz AMCPUZYAOBJVAJ-JAXLGGSGSA-N 2 1 389.584 3.731 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)CCOCC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172472562 905553372 /nfs/dbraw/zinc/55/33/72/905553372.db2.gz PAKXAUHQPMGNAZ-STZQEDGTSA-N 2 1 390.568 3.996 20 0 GHADMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539696 905643278 /nfs/dbraw/zinc/64/32/78/905643278.db2.gz DDVLUFYIOUBBJD-YPAWHYETSA-N 2 1 394.563 3.864 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001172616164 905673394 /nfs/dbraw/zinc/67/33/94/905673394.db2.gz NVFVJVKYJBXGKJ-ROUUACIJSA-N 2 1 376.566 3.768 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001172634335 905696238 /nfs/dbraw/zinc/69/62/38/905696238.db2.gz HCFSETVHBWIGTI-PMACEKPBSA-N 2 1 397.604 3.645 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172815261 905847498 /nfs/dbraw/zinc/84/74/98/905847498.db2.gz IGIYCFSETFMURV-YOFSQIOKSA-N 2 1 377.573 3.889 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172818419 905850678 /nfs/dbraw/zinc/85/06/78/905850678.db2.gz PXLLUGBAPWEGNF-YOFSQIOKSA-N 2 1 377.573 3.745 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172958234 906065795 /nfs/dbraw/zinc/06/57/95/906065795.db2.gz XOGPMUBGFCVFRR-MISYRCLQSA-N 2 1 390.572 3.799 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)CC1 ZINC001173112030 906201778 /nfs/dbraw/zinc/20/17/78/906201778.db2.gz UVFDSFCHSXGVRA-HDYDNRTBSA-N 2 1 376.589 3.645 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ncn(C)c3[C@H](COCC(C)C)C2)CC1 ZINC001173112030 906201797 /nfs/dbraw/zinc/20/17/97/906201797.db2.gz UVFDSFCHSXGVRA-HDYDNRTBSA-N 2 1 376.589 3.645 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3c4ccccc4[C@H](NC(=O)N(C)C)[C@H]3C2)CC1 ZINC001173112188 906201914 /nfs/dbraw/zinc/20/19/14/906201914.db2.gz SEPWLVWGYBPKRH-UFZIGTINSA-N 2 1 398.595 3.681 20 0 GHADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173126320 906209719 /nfs/dbraw/zinc/20/97/19/906209719.db2.gz NCCPUHZAIFXWTR-CYBMUJFWSA-N 2 1 381.467 3.969 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ncc(Br)s3)CC2)nc(C)[nH+]1 ZINC000179237455 906455639 /nfs/dbraw/zinc/45/56/39/906455639.db2.gz QRCMIMBEOTUACE-LLVKDONJSA-N 2 1 396.358 3.632 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1nccc2ccccc21 ZINC000365910860 921244689 /nfs/dbraw/zinc/24/46/89/921244689.db2.gz ALQLUDWSPISMEG-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC001173599839 906552604 /nfs/dbraw/zinc/55/26/04/906552604.db2.gz RNKBOWLYYSQNGP-BEYWUKIISA-N 2 1 396.575 3.999 20 0 GHADMP Cc1ccc(C)c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000365912209 921245162 /nfs/dbraw/zinc/24/51/62/921245162.db2.gz NXZPKJIVTMYFBA-UHFFFAOYSA-N 2 1 386.584 3.963 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173741515 906679209 /nfs/dbraw/zinc/67/92/09/906679209.db2.gz DJWIXVGWFFIOLU-WTGUMLROSA-N 2 1 388.947 3.582 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001173725702 906690185 /nfs/dbraw/zinc/69/01/85/906690185.db2.gz PRNVGADOOIBAMQ-SFYKDHMMSA-N 2 1 380.532 3.904 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001173725702 906690192 /nfs/dbraw/zinc/69/01/92/906690192.db2.gz PRNVGADOOIBAMQ-SFYKDHMMSA-N 2 1 380.532 3.904 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000629653683 906931219 /nfs/dbraw/zinc/93/12/19/906931219.db2.gz FOGWSLSICRLGTO-GOEBONIOSA-N 2 1 392.425 3.792 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000629653683 906931229 /nfs/dbraw/zinc/93/12/29/906931229.db2.gz FOGWSLSICRLGTO-GOEBONIOSA-N 2 1 392.425 3.792 20 0 GHADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000181411495 906994677 /nfs/dbraw/zinc/99/46/77/906994677.db2.gz IZQRVUFMQTWDIT-YLJYHZDGSA-N 2 1 387.593 3.856 20 0 GHADMP C[NH+]1CCN(Cc2ccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001174397381 907002016 /nfs/dbraw/zinc/00/20/16/907002016.db2.gz WUFDJOXELKINKZ-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2ccc(NC3=CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001174397381 907002033 /nfs/dbraw/zinc/00/20/33/907002033.db2.gz WUFDJOXELKINKZ-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2ccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001174397381 907002048 /nfs/dbraw/zinc/00/20/48/907002048.db2.gz WUFDJOXELKINKZ-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP COc1cccc(CC[NH+]2CCCC2)c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446332 907041530 /nfs/dbraw/zinc/04/15/30/907041530.db2.gz KQNULYMOGBPYGX-UHFFFAOYSA-N 2 1 395.547 3.909 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnc(Cl)s2)CC1 ZINC000181643930 907045768 /nfs/dbraw/zinc/04/57/68/907045768.db2.gz JHYRVVFZCHTRNN-CYBMUJFWSA-N 2 1 382.936 3.928 20 0 GHADMP CC[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC001175061467 907337466 /nfs/dbraw/zinc/33/74/66/907337466.db2.gz HGIDYNUYLMKAQR-UHFFFAOYSA-N 2 1 398.532 3.925 20 0 GHADMP CC[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC001175061467 907337485 /nfs/dbraw/zinc/33/74/85/907337485.db2.gz HGIDYNUYLMKAQR-UHFFFAOYSA-N 2 1 398.532 3.925 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001175361027 907517644 /nfs/dbraw/zinc/51/76/44/907517644.db2.gz FCSCODPNZZIYFZ-TZIWHRDSSA-N 2 1 377.573 3.726 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001175361027 907517663 /nfs/dbraw/zinc/51/76/63/907517663.db2.gz FCSCODPNZZIYFZ-TZIWHRDSSA-N 2 1 377.573 3.726 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000187174473 908052031 /nfs/dbraw/zinc/05/20/31/908052031.db2.gz TWQNLNKZXSDZAG-SFHVURJKSA-N 2 1 383.561 3.659 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000187174473 908052045 /nfs/dbraw/zinc/05/20/45/908052045.db2.gz TWQNLNKZXSDZAG-SFHVURJKSA-N 2 1 383.561 3.659 20 0 GHADMP C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001176366150 908080187 /nfs/dbraw/zinc/08/01/87/908080187.db2.gz XXMNUYLQMJJWAM-OIBXWCBGSA-N 2 1 379.548 3.674 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)oc1C ZINC000188001337 908165672 /nfs/dbraw/zinc/16/56/72/908165672.db2.gz IXBILXLGLOXALK-NRFANRHFSA-N 2 1 397.498 3.745 20 0 GHADMP COC(=O)c1ccc2c(c1)OCC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC001176870263 908281416 /nfs/dbraw/zinc/28/14/16/908281416.db2.gz CZTWPVUWVBDDQE-UHFFFAOYSA-N 2 1 394.515 3.854 20 0 GHADMP COC(=O)c1ccc2c(c1)OCC[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC001176870263 908281428 /nfs/dbraw/zinc/28/14/28/908281428.db2.gz CZTWPVUWVBDDQE-UHFFFAOYSA-N 2 1 394.515 3.854 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](C4CCCC4)C3)cc2)CC1 ZINC001176941183 908321766 /nfs/dbraw/zinc/32/17/66/908321766.db2.gz ZURCVUMDBXJUMZ-NRFANRHFSA-N 2 1 398.595 3.669 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC001177245573 908483867 /nfs/dbraw/zinc/48/38/67/908483867.db2.gz XSCCXODRKCWCNE-UHFFFAOYSA-N 2 1 388.781 3.610 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4scnc4c3)cc2)CC1 ZINC001177294387 908499365 /nfs/dbraw/zinc/49/93/65/908499365.db2.gz IWDRSTUUBOCXHB-UHFFFAOYSA-N 2 1 380.561 3.724 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cccc(CC4CCC4)c3)cc2)CC1 ZINC001177266748 908507431 /nfs/dbraw/zinc/50/74/31/908507431.db2.gz GLELBPIEAHTEND-UHFFFAOYSA-N 2 1 391.559 3.707 20 0 GHADMP COc1cccc2c1CC[C@@H]([NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)C2 ZINC000192442404 908787411 /nfs/dbraw/zinc/78/74/11/908787411.db2.gz KLKYAUXDVQSWBL-HXUWFJFHSA-N 2 1 383.536 3.659 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(Br)nc2Br)CC1 ZINC001206311095 908838531 /nfs/dbraw/zinc/83/85/31/908838531.db2.gz INKPSAQNIHQODK-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)nc2Br)CC1 ZINC001206311095 908838545 /nfs/dbraw/zinc/83/85/45/908838545.db2.gz INKPSAQNIHQODK-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193206935 908858141 /nfs/dbraw/zinc/85/81/41/908858141.db2.gz RTDCLRIMFHQGFY-SFHVURJKSA-N 2 1 383.517 3.650 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268118567 909773379 /nfs/dbraw/zinc/77/33/79/909773379.db2.gz NJKDOTRBFDHNMJ-PXNSSMCTSA-N 2 1 385.577 3.935 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000268162402 909784243 /nfs/dbraw/zinc/78/42/43/909784243.db2.gz TVZQERQHHRHYEI-UHFFFAOYSA-N 2 1 385.577 3.794 20 0 GHADMP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000637830470 909983136 /nfs/dbraw/zinc/98/31/36/909983136.db2.gz WTJPJHGVDOWMTR-IOMROCGXSA-N 2 1 397.588 3.550 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)cc2)CC1 ZINC000268849880 910044713 /nfs/dbraw/zinc/04/47/13/910044713.db2.gz WAVGNQFTGSHOAX-OAQYLSRUSA-N 2 1 383.923 3.505 20 0 GHADMP COC(=O)c1[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C ZINC001180302018 910057606 /nfs/dbraw/zinc/05/76/06/910057606.db2.gz SDRTWQAHRPIAHN-HMXCVIKNSA-N 2 1 381.520 3.500 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638487840 910164809 /nfs/dbraw/zinc/16/48/09/910164809.db2.gz BQTYUSGWJXYKCV-FYYLOGMGSA-N 2 1 398.572 3.689 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638487840 910164824 /nfs/dbraw/zinc/16/48/24/910164824.db2.gz BQTYUSGWJXYKCV-FYYLOGMGSA-N 2 1 398.572 3.689 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000639087099 910311117 /nfs/dbraw/zinc/31/11/17/910311117.db2.gz CLSHYDULCDYUMX-RBBKRZOGSA-N 2 1 379.552 3.645 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000639087099 910311121 /nfs/dbraw/zinc/31/11/21/910311121.db2.gz CLSHYDULCDYUMX-RBBKRZOGSA-N 2 1 379.552 3.645 20 0 GHADMP C[C@H]([NH2+][C@H](CC(N)=O)c1ccc(Cl)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180696931 910312190 /nfs/dbraw/zinc/31/21/90/910312190.db2.gz AGUMMBNJDZORGH-NBHGPNQESA-N 2 1 385.939 3.757 20 0 GHADMP C[C@H]([NH2+][C@H](CC(N)=O)c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180696931 910312201 /nfs/dbraw/zinc/31/22/01/910312201.db2.gz AGUMMBNJDZORGH-NBHGPNQESA-N 2 1 385.939 3.757 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639242207 910360990 /nfs/dbraw/zinc/36/09/90/910360990.db2.gz OAPLSMPROVDEDR-WKDRNLAYSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639242207 910361000 /nfs/dbraw/zinc/36/10/00/910361000.db2.gz OAPLSMPROVDEDR-WKDRNLAYSA-N 2 1 380.536 3.598 20 0 GHADMP CC(C)(C)[C@]1(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639296505 910379386 /nfs/dbraw/zinc/37/93/86/910379386.db2.gz VFTRNZRELMONMB-YKSBVNFPSA-N 2 1 383.580 3.525 20 0 GHADMP c1ccc(C(C[NH+]2CCC[C@@]3(CCOC3)C2)C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000639666618 910598886 /nfs/dbraw/zinc/59/88/86/910598886.db2.gz MYDFSJMGSYAOTA-JWQCQUIFSA-N 2 1 398.591 3.775 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246803488 910651505 /nfs/dbraw/zinc/65/15/05/910651505.db2.gz MYIOQYUAXWQNMI-AZUAARDMSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246803488 910651514 /nfs/dbraw/zinc/65/15/14/910651514.db2.gz MYIOQYUAXWQNMI-AZUAARDMSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246803488 910651519 /nfs/dbraw/zinc/65/15/19/910651519.db2.gz MYIOQYUAXWQNMI-AZUAARDMSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246803488 910651531 /nfs/dbraw/zinc/65/15/31/910651531.db2.gz MYIOQYUAXWQNMI-AZUAARDMSA-N 2 1 377.573 3.582 20 0 GHADMP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181493729 910796516 /nfs/dbraw/zinc/79/65/16/910796516.db2.gz GBPQJJASQQIDTI-UHFFFAOYSA-N 2 1 390.531 3.526 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)[C@H](C)C1 ZINC000247070553 910941848 /nfs/dbraw/zinc/94/18/48/910941848.db2.gz OGQCONNEWRIHBV-KNKQGSTJSA-N 2 1 387.568 3.601 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C ZINC001181697573 910947706 /nfs/dbraw/zinc/94/77/06/910947706.db2.gz KYSGUYKKMJRHRP-DEOSSOPVSA-N 2 1 378.516 3.880 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C ZINC001181697573 910947714 /nfs/dbraw/zinc/94/77/14/910947714.db2.gz KYSGUYKKMJRHRP-DEOSSOPVSA-N 2 1 378.516 3.880 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C ZINC001181697573 910947725 /nfs/dbraw/zinc/94/77/25/910947725.db2.gz KYSGUYKKMJRHRP-DEOSSOPVSA-N 2 1 378.516 3.880 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C ZINC001181697573 910947734 /nfs/dbraw/zinc/94/77/34/910947734.db2.gz KYSGUYKKMJRHRP-DEOSSOPVSA-N 2 1 378.516 3.880 20 0 GHADMP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001181841120 911037750 /nfs/dbraw/zinc/03/77/50/911037750.db2.gz VWPZXRGLVPLKBW-XZOQPEGZSA-N 2 1 397.538 3.580 20 0 GHADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001181841120 911037768 /nfs/dbraw/zinc/03/77/68/911037768.db2.gz VWPZXRGLVPLKBW-XZOQPEGZSA-N 2 1 397.538 3.580 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001181867996 911050445 /nfs/dbraw/zinc/05/04/45/911050445.db2.gz AVOLXJNNIMRGFO-UHFFFAOYSA-N 2 1 379.976 3.715 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000801922057 921630636 /nfs/dbraw/zinc/63/06/36/921630636.db2.gz DVIYWTWGBKWBJX-UXHICEINSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000247285970 911096683 /nfs/dbraw/zinc/09/66/83/911096683.db2.gz YWEMAJYBTDQVSR-FPOVZHCZSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000247285970 911096702 /nfs/dbraw/zinc/09/67/02/911096702.db2.gz YWEMAJYBTDQVSR-FPOVZHCZSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000247285970 911096720 /nfs/dbraw/zinc/09/67/20/911096720.db2.gz YWEMAJYBTDQVSR-FPOVZHCZSA-N 2 1 391.600 3.972 20 0 GHADMP COc1ccccc1OCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091900032 911326937 /nfs/dbraw/zinc/32/69/37/911326937.db2.gz BMNBZZCPCMTDMR-UHFFFAOYSA-N 2 1 397.563 3.736 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C[NH3+])c1ccccc1 ZINC001182244727 911327370 /nfs/dbraw/zinc/32/73/70/911327370.db2.gz PETLNZJFQBFXRO-LOSJGSFVSA-N 2 1 399.538 3.772 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C[NH3+])c1ccccc1 ZINC001182244727 911327389 /nfs/dbraw/zinc/32/73/89/911327389.db2.gz PETLNZJFQBFXRO-LOSJGSFVSA-N 2 1 399.538 3.772 20 0 GHADMP CO[C@H](C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000283368511 911482229 /nfs/dbraw/zinc/48/22/29/911482229.db2.gz CCRPABGFZQZVMP-BBTUJRGHSA-N 2 1 379.976 3.518 20 0 GHADMP CO[C@H](CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000283370297 911483511 /nfs/dbraw/zinc/48/35/11/911483511.db2.gz CCRPABGFZQZVMP-LVCYWYKZSA-N 2 1 379.976 3.518 20 0 GHADMP CO[C@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000283370297 911483524 /nfs/dbraw/zinc/48/35/24/911483524.db2.gz CCRPABGFZQZVMP-LVCYWYKZSA-N 2 1 379.976 3.518 20 0 GHADMP CO[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000283370297 911483530 /nfs/dbraw/zinc/48/35/30/911483530.db2.gz CCRPABGFZQZVMP-LVCYWYKZSA-N 2 1 379.976 3.518 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC001182340342 911510558 /nfs/dbraw/zinc/51/05/58/911510558.db2.gz HWVBZWARZPEFNY-QFIPXVFZSA-N 2 1 379.548 3.950 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)CC1 ZINC000284395873 911851950 /nfs/dbraw/zinc/85/19/50/911851950.db2.gz PKLDMVLEKIQWKO-SFHVURJKSA-N 2 1 390.984 3.675 20 0 GHADMP CC(C)(C)[C@]1(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182533283 911857198 /nfs/dbraw/zinc/85/71/98/911857198.db2.gz MTNYXCUIMMXAHK-BJKOFHAPSA-N 2 1 388.596 3.692 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC(Cn3cnnc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182753345 912003090 /nfs/dbraw/zinc/00/30/90/912003090.db2.gz HFHXRCQSWJEAIT-XMMPIXPASA-N 2 1 395.595 3.929 20 0 GHADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248393793 912043233 /nfs/dbraw/zinc/04/32/33/912043233.db2.gz FCMGJVFOHISQBP-MSNJVRRCSA-N 2 1 380.532 3.619 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000290941347 914879747 /nfs/dbraw/zinc/87/97/47/914879747.db2.gz TZNNEMWIMHTBRY-UHFFFAOYSA-N 2 1 380.319 3.635 20 0 GHADMP C[NH+](C)Cc1cnc(CNc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000796336021 914881352 /nfs/dbraw/zinc/88/13/52/914881352.db2.gz ZJOBAYCJUQBQIO-UHFFFAOYSA-N 2 1 387.597 3.595 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC000647175931 915069944 /nfs/dbraw/zinc/06/99/44/915069944.db2.gz MSMVBUHMWCYHRN-UHFFFAOYSA-N 2 1 390.474 3.744 20 0 GHADMP O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192457 915078754 /nfs/dbraw/zinc/07/87/54/915078754.db2.gz HWSKHIBMASELOU-FGZHOGPDSA-N 2 1 381.564 3.564 20 0 GHADMP O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192457 915078774 /nfs/dbraw/zinc/07/87/74/915078774.db2.gz HWSKHIBMASELOU-FGZHOGPDSA-N 2 1 381.564 3.564 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192369 915078914 /nfs/dbraw/zinc/07/89/14/915078914.db2.gz CADQRUVMRNQVKE-DHIUTWEWSA-N 2 1 395.591 3.954 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192369 915078933 /nfs/dbraw/zinc/07/89/33/915078933.db2.gz CADQRUVMRNQVKE-DHIUTWEWSA-N 2 1 395.591 3.954 20 0 GHADMP COc1ncncc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000647209681 915083579 /nfs/dbraw/zinc/08/35/79/915083579.db2.gz VZMSPORUSPJEJL-FOUFQHLJSA-N 2 1 386.927 3.842 20 0 GHADMP COc1ncncc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000647209681 915083599 /nfs/dbraw/zinc/08/35/99/915083599.db2.gz VZMSPORUSPJEJL-FOUFQHLJSA-N 2 1 386.927 3.842 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647544019 915319930 /nfs/dbraw/zinc/31/99/30/915319930.db2.gz VOWZNCBEKWYSJS-HUUCEWRRSA-N 2 1 397.357 3.678 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1F ZINC000647976846 915457386 /nfs/dbraw/zinc/45/73/86/915457386.db2.gz VAIWPERHYQQZFN-RTBURBONSA-N 2 1 386.515 3.828 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1cccs1 ZINC000647977720 915460358 /nfs/dbraw/zinc/46/03/58/915460358.db2.gz GPZGOTZUPOWRTO-SQGPQFPESA-N 2 1 377.598 3.663 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000648788450 915879833 /nfs/dbraw/zinc/87/98/33/915879833.db2.gz GYNVFYGTJBSXJJ-HYEGPXJVSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000648788450 915879841 /nfs/dbraw/zinc/87/98/41/915879841.db2.gz GYNVFYGTJBSXJJ-HYEGPXJVSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000648788450 915879854 /nfs/dbraw/zinc/87/98/54/915879854.db2.gz GYNVFYGTJBSXJJ-HYEGPXJVSA-N 2 1 397.485 3.545 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)cc2)CC1 ZINC001188313693 915881093 /nfs/dbraw/zinc/88/10/93/915881093.db2.gz ZUYNAVDGNYHCAH-DEOSSOPVSA-N 2 1 389.543 3.551 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CC[N@H+]4CCc5ccccc5[C@@H]4C3)cc2)CC1 ZINC001188313693 915881105 /nfs/dbraw/zinc/88/11/05/915881105.db2.gz ZUYNAVDGNYHCAH-DEOSSOPVSA-N 2 1 389.543 3.551 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc2ccncc21 ZINC000648814609 915888986 /nfs/dbraw/zinc/88/89/86/915888986.db2.gz JRVQODJPLVGXMM-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000648844522 915907016 /nfs/dbraw/zinc/90/70/16/915907016.db2.gz IKPSENBDOADWCI-FQEVSTJZSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000648844522 915907028 /nfs/dbraw/zinc/90/70/28/915907028.db2.gz IKPSENBDOADWCI-FQEVSTJZSA-N 2 1 394.563 3.911 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000649336759 916104425 /nfs/dbraw/zinc/10/44/25/916104425.db2.gz TXIDXVRHLYVTDB-QAPCUYQASA-N 2 1 385.474 3.722 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC001275727167 916443852 /nfs/dbraw/zinc/44/38/52/916443852.db2.gz FGNRMKRIDDOMNK-FQEVSTJZSA-N 2 1 398.378 3.760 20 0 GHADMP CCOC[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](COCC)C3)ccc2F)C1 ZINC000294865704 917020073 /nfs/dbraw/zinc/02/00/73/917020073.db2.gz DIUIIJRXKMRQIH-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP CCOC[C@@H]1CC[N@@H+](Cc2cc(C[NH+]3CC[C@H](COCC)C3)ccc2F)C1 ZINC000294865704 917020082 /nfs/dbraw/zinc/02/00/82/917020082.db2.gz DIUIIJRXKMRQIH-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP CCOC[C@@H]1CC[N@H+](Cc2cc(C[NH+]3CC[C@H](COCC)C3)ccc2F)C1 ZINC000294865704 917020091 /nfs/dbraw/zinc/02/00/91/917020091.db2.gz DIUIIJRXKMRQIH-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2Br)C1 ZINC000650724109 917250647 /nfs/dbraw/zinc/25/06/47/917250647.db2.gz YIEJADYNHYZBQE-PVAVHDDUSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2Br)C1 ZINC000650724109 917250655 /nfs/dbraw/zinc/25/06/55/917250655.db2.gz YIEJADYNHYZBQE-PVAVHDDUSA-N 2 1 387.749 3.963 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000650911665 917337236 /nfs/dbraw/zinc/33/72/36/917337236.db2.gz SZCWVNORATUXEP-SLFFLAALSA-N 2 1 397.567 3.665 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000650911665 917337248 /nfs/dbraw/zinc/33/72/48/917337248.db2.gz SZCWVNORATUXEP-SLFFLAALSA-N 2 1 397.567 3.665 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000295792401 917501824 /nfs/dbraw/zinc/50/18/24/917501824.db2.gz BPINXLKDKNFTRY-HXUWFJFHSA-N 2 1 387.549 3.650 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651812931 917714504 /nfs/dbraw/zinc/71/45/04/917714504.db2.gz PTIYKPKAOLKFOY-QGZVFWFLSA-N 2 1 377.891 3.982 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2ccccn2)cc1 ZINC000652141750 917813759 /nfs/dbraw/zinc/81/37/59/917813759.db2.gz YVKAQQBFPLLOPD-XMMPIXPASA-N 2 1 391.515 3.910 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348908 917877180 /nfs/dbraw/zinc/87/71/80/917877180.db2.gz VTCGPAASHNCHSZ-YRNRMSPPSA-N 2 1 387.549 3.537 20 0 GHADMP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)c1OC ZINC000652354840 917878737 /nfs/dbraw/zinc/87/87/37/917878737.db2.gz JQNHMAWJJBUPDD-RHSMWYFYSA-N 2 1 375.538 3.777 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)c1OC ZINC000652354840 917878748 /nfs/dbraw/zinc/87/87/48/917878748.db2.gz JQNHMAWJJBUPDD-RHSMWYFYSA-N 2 1 375.538 3.777 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000652360649 917880515 /nfs/dbraw/zinc/88/05/15/917880515.db2.gz NMDPJQKQWQZVTJ-UEVCKROQSA-N 2 1 393.531 3.653 20 0 GHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)n2)cc1 ZINC000652362115 917881026 /nfs/dbraw/zinc/88/10/26/917881026.db2.gz YDKXGVYOAZJGJY-ZCNNSNEGSA-N 2 1 384.524 3.721 20 0 GHADMP CCCCC[N@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)Cc1ccccc1 ZINC000652757341 918004988 /nfs/dbraw/zinc/00/49/88/918004988.db2.gz XZUKXQDJZKFIKQ-OAQYLSRUSA-N 2 1 382.552 3.563 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)Cc1ccccc1 ZINC000652757341 918005000 /nfs/dbraw/zinc/00/50/00/918005000.db2.gz XZUKXQDJZKFIKQ-OAQYLSRUSA-N 2 1 382.552 3.563 20 0 GHADMP CN1CC[NH+](CCOc2ccc(-c3ccccc3C[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000653509390 918276327 /nfs/dbraw/zinc/27/63/27/918276327.db2.gz DSQQDWHPKQFBLO-HSZRJFAPSA-N 2 1 393.575 3.664 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(Br)cc2Br)CC1 ZINC001205578656 918388177 /nfs/dbraw/zinc/38/81/77/918388177.db2.gz IEZWDEMERQBWJC-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Br)cc2Br)CC1 ZINC001205578656 918388189 /nfs/dbraw/zinc/38/81/89/918388189.db2.gz IEZWDEMERQBWJC-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775498883 918401633 /nfs/dbraw/zinc/40/16/33/918401633.db2.gz OVRVGNMVUXPVAJ-FBBABVLZSA-N 2 1 392.465 3.937 20 0 GHADMP C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775498883 918401655 /nfs/dbraw/zinc/40/16/55/918401655.db2.gz OVRVGNMVUXPVAJ-FBBABVLZSA-N 2 1 392.465 3.937 20 0 GHADMP CCN(CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000775502417 918456040 /nfs/dbraw/zinc/45/60/40/918456040.db2.gz WFPFFWSAEGGKDN-ICSRJNTNSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000653871954 918562866 /nfs/dbraw/zinc/56/28/66/918562866.db2.gz YZOAWPCPDMZPSV-FUHIMQAGSA-N 2 1 393.522 3.569 20 0 GHADMP C[NH+](Cc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)ccc1F)C[C@@H]1CCCOC1 ZINC000297378690 919280259 /nfs/dbraw/zinc/28/02/59/919280259.db2.gz DFVYNVWSPWGCPQ-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C[C@@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000297378690 919280265 /nfs/dbraw/zinc/28/02/65/919280265.db2.gz DFVYNVWSPWGCPQ-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000297378690 919280277 /nfs/dbraw/zinc/28/02/77/919280277.db2.gz DFVYNVWSPWGCPQ-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000380570185 919305825 /nfs/dbraw/zinc/30/58/25/919305825.db2.gz HUYYFLFRJOPIPI-GUDVDZBRSA-N 2 1 376.545 3.739 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1coc2ccccc12 ZINC000367597791 922221833 /nfs/dbraw/zinc/22/18/33/922221833.db2.gz TZCSXUPOABVJBQ-UHFFFAOYSA-N 2 1 397.563 3.630 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517915 922252144 /nfs/dbraw/zinc/25/21/44/922252144.db2.gz ORVWLKJEGRLQDQ-GFRNBQLOSA-N 3 1 378.564 3.800 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368019435 922427742 /nfs/dbraw/zinc/42/77/42/922427742.db2.gz RXJMIINHQIAESV-IHPCNDPISA-N 2 1 399.560 3.579 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368019435 922427748 /nfs/dbraw/zinc/42/77/48/922427748.db2.gz RXJMIINHQIAESV-IHPCNDPISA-N 2 1 399.560 3.579 20 0 GHADMP c1ccc(CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000902808241 922510250 /nfs/dbraw/zinc/51/02/50/922510250.db2.gz GKNXJENQSLFKSK-ZJSXRUAMSA-N 2 1 379.548 3.846 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C[C@H]2C1 ZINC000903184183 922839442 /nfs/dbraw/zinc/83/94/42/922839442.db2.gz AZSURXSBDHDXST-NENILSFMSA-N 2 1 389.584 3.769 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903219917 922865178 /nfs/dbraw/zinc/86/51/78/922865178.db2.gz JSGHOGFEQGGGEM-PYVWZIQOSA-N 2 1 377.573 3.627 20 0 GHADMP Cn1cc([C@]2(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CCCO2)cn1 ZINC000903362377 922961129 /nfs/dbraw/zinc/96/11/29/922961129.db2.gz YZQRSORRZXOQTC-UCBGAZFYSA-N 2 1 394.563 3.601 20 0 GHADMP COc1ccccc1-c1noc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000369305539 923267575 /nfs/dbraw/zinc/26/75/75/923267575.db2.gz LMEYLMMAXGLZBP-UHFFFAOYSA-N 2 1 395.507 3.910 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000370218299 923965322 /nfs/dbraw/zinc/96/53/22/923965322.db2.gz DSANTKLGTSVOHR-UHFFFAOYSA-N 2 1 395.551 3.731 20 0 GHADMP Cc1c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc2ccccn12 ZINC001137270907 924145118 /nfs/dbraw/zinc/14/51/18/924145118.db2.gz PDZKHTBQCXSTNZ-UHFFFAOYSA-N 2 1 375.520 3.526 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)cn2)cn1 ZINC000370648920 924228685 /nfs/dbraw/zinc/22/86/85/924228685.db2.gz BBXVUFGLQYTQNJ-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP Cc1ncsc1CC[N@H+](C)[C@H]1CCC[NH+](CCc2scnc2C)CC1 ZINC000371098456 924425591 /nfs/dbraw/zinc/42/55/91/924425591.db2.gz HCSROMPLXHVPDA-KRWDZBQOSA-N 2 1 378.611 3.788 20 0 GHADMP Cc1ncsc1CC[NH+](C)[C@H]1CCC[N@H+](CCc2scnc2C)CC1 ZINC000371098456 924425596 /nfs/dbraw/zinc/42/55/96/924425596.db2.gz HCSROMPLXHVPDA-KRWDZBQOSA-N 2 1 378.611 3.788 20 0 GHADMP Cc1ncsc1CC[NH+](C)[C@H]1CCC[N@@H+](CCc2scnc2C)CC1 ZINC000371098456 924425601 /nfs/dbraw/zinc/42/56/01/924425601.db2.gz HCSROMPLXHVPDA-KRWDZBQOSA-N 2 1 378.611 3.788 20 0 GHADMP O=C1CCCN1C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000371105691 924429809 /nfs/dbraw/zinc/42/98/09/924429809.db2.gz FZOQNLMJLHROMI-QYZOEREBSA-N 2 1 395.469 3.585 20 0 GHADMP Cn1cc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)c(C(F)(F)F)n1 ZINC000678341440 924733499 /nfs/dbraw/zinc/73/34/99/924733499.db2.gz MVKWFTBWINIRIV-UHFFFAOYSA-N 2 1 396.457 3.546 20 0 GHADMP Cn1cc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)c(C(F)(F)F)n1 ZINC000678341440 924733508 /nfs/dbraw/zinc/73/35/08/924733508.db2.gz MVKWFTBWINIRIV-UHFFFAOYSA-N 2 1 396.457 3.546 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000371674619 924766229 /nfs/dbraw/zinc/76/62/29/924766229.db2.gz HSBJTTGYGLWGRW-INIZCTEOSA-N 2 1 389.531 3.967 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000371674619 924766234 /nfs/dbraw/zinc/76/62/34/924766234.db2.gz HSBJTTGYGLWGRW-INIZCTEOSA-N 2 1 389.531 3.967 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@]3(CO)CCC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000679042408 925006885 /nfs/dbraw/zinc/00/68/85/925006885.db2.gz BFXGGLQFGTZLGY-ZODMCCGTSA-N 2 1 399.623 3.646 20 0 GHADMP CCN(C)[C@@H](C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000410282574 925497484 /nfs/dbraw/zinc/49/74/84/925497484.db2.gz OXENCTRMJLMRDO-PZJWPPBQSA-N 2 1 380.536 3.618 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001137447980 925819638 /nfs/dbraw/zinc/81/96/38/925819638.db2.gz KXXBYJDOLCCGNL-VXKWHMMOSA-N 2 1 399.579 3.753 20 0 GHADMP Fc1nc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001137474248 925941332 /nfs/dbraw/zinc/94/13/32/925941332.db2.gz NUFDRBGPWORSSS-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP CC(CCN1CC[NH+](C2CCCC2)CC1)CC[NH+]1CCN(C2CCCC2)CC1 ZINC000411166983 926154130 /nfs/dbraw/zinc/15/41/30/926154130.db2.gz WMAZLXXEXCZKNT-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP COc1ccc(COCC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000682533968 926155070 /nfs/dbraw/zinc/15/50/70/926155070.db2.gz PNJUBNOVGZMSPY-GZOXUSKESA-N 2 1 382.548 3.958 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398003684 926485718 /nfs/dbraw/zinc/48/57/18/926485718.db2.gz GCKCHTYBZILLTB-CMKODMSKSA-N 2 1 375.557 3.647 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398003684 926485723 /nfs/dbraw/zinc/48/57/23/926485723.db2.gz GCKCHTYBZILLTB-CMKODMSKSA-N 2 1 375.557 3.647 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411548628 926512546 /nfs/dbraw/zinc/51/25/46/926512546.db2.gz FNOHKPGBIPXEHX-SWUCNREESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411548628 926512556 /nfs/dbraw/zinc/51/25/56/926512556.db2.gz FNOHKPGBIPXEHX-SWUCNREESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000749590366 927204568 /nfs/dbraw/zinc/20/45/68/927204568.db2.gz QPYILIOZGDPIEC-VMXMFDLUSA-N 2 1 387.568 3.727 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000543844756 928491325 /nfs/dbraw/zinc/49/13/25/928491325.db2.gz XULSIZYGUKZXGM-QFIPXVFZSA-N 2 1 383.624 3.920 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCc2ccccc2C1 ZINC000543844756 928491330 /nfs/dbraw/zinc/49/13/30/928491330.db2.gz XULSIZYGUKZXGM-QFIPXVFZSA-N 3 1 383.624 3.920 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCc2ccccc2C1 ZINC000543844756 928491339 /nfs/dbraw/zinc/49/13/39/928491339.db2.gz XULSIZYGUKZXGM-QFIPXVFZSA-N 3 1 383.624 3.920 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](Cc3csc4ccccc34)C2)CC1 ZINC000466939391 928524833 /nfs/dbraw/zinc/52/48/33/928524833.db2.gz JJMVRULUQAFJDQ-SFHVURJKSA-N 2 1 399.604 3.756 20 0 GHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000467347693 928982239 /nfs/dbraw/zinc/98/22/39/928982239.db2.gz BOGPDLPKVPELMX-IERDGZPVSA-N 2 1 392.465 3.993 20 0 GHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000467376888 929015779 /nfs/dbraw/zinc/01/57/79/929015779.db2.gz LMMYQPWVEMGWDP-ZHRRBRCNSA-N 2 1 384.495 3.832 20 0 GHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000467376888 929015786 /nfs/dbraw/zinc/01/57/86/929015786.db2.gz LMMYQPWVEMGWDP-ZHRRBRCNSA-N 2 1 384.495 3.832 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000753544917 929402816 /nfs/dbraw/zinc/40/28/16/929402816.db2.gz QVUWOFHGDACTPQ-UHFFFAOYSA-N 2 1 387.528 3.558 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000753746184 929514435 /nfs/dbraw/zinc/51/44/35/929514435.db2.gz ADQCMVZYSVMHRX-ICSRJNTNSA-N 2 1 387.568 3.934 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000469519645 929961222 /nfs/dbraw/zinc/96/12/22/929961222.db2.gz WPQFAVLRSSNKPT-WOJBJXKFSA-N 2 1 380.536 3.907 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)cc1F ZINC000759143852 930286988 /nfs/dbraw/zinc/28/69/88/930286988.db2.gz XXZBUCOWQZQMMU-UHFFFAOYSA-N 2 1 376.476 3.713 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000470033436 930331416 /nfs/dbraw/zinc/33/14/16/930331416.db2.gz YFYASGLVRCKHEV-QFBILLFUSA-N 2 1 380.960 3.717 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000470279275 930505182 /nfs/dbraw/zinc/50/51/82/930505182.db2.gz RTBPXWLWKXKSCG-JOCHJYFZSA-N 2 1 388.600 3.659 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000557119618 931220158 /nfs/dbraw/zinc/22/01/58/931220158.db2.gz NARNCLJWGLZDIN-DEOSSOPVSA-N 2 1 398.595 3.736 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000777514241 931324135 /nfs/dbraw/zinc/32/41/35/931324135.db2.gz WCVAAGORJAFKIK-UHFFFAOYSA-N 2 1 377.492 3.662 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(-n2cnnc2)c1 ZINC000924648809 931461379 /nfs/dbraw/zinc/46/13/79/931461379.db2.gz NWCBOZIZQOGWJZ-LJQANCHMSA-N 2 1 375.520 3.625 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924954072 931593791 /nfs/dbraw/zinc/59/37/91/931593791.db2.gz USWZJQAXUGLRCK-INIZCTEOSA-N 2 1 376.545 3.597 20 0 GHADMP C[C@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934416 932821630 /nfs/dbraw/zinc/82/16/30/932821630.db2.gz FTYXTOBALYGTMH-HXUWFJFHSA-N 2 1 383.502 3.905 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1OC ZINC000559751785 932838003 /nfs/dbraw/zinc/83/80/03/932838003.db2.gz MJVDGWGWCHEWJP-WOJBJXKFSA-N 2 1 384.520 3.680 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1OC ZINC000559751785 932838011 /nfs/dbraw/zinc/83/80/11/932838011.db2.gz MJVDGWGWCHEWJP-WOJBJXKFSA-N 2 1 384.520 3.680 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)nc2)CC1 ZINC000559817661 932876150 /nfs/dbraw/zinc/87/61/50/932876150.db2.gz KZVKSMBMTKLQKX-NZQKXSOJSA-N 3 1 393.579 3.859 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000799177123 932897854 /nfs/dbraw/zinc/89/78/54/932897854.db2.gz LUTUVMDDNFOSRA-UHFFFAOYSA-N 2 1 383.458 3.842 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)C2)CC1 ZINC000799178801 932899161 /nfs/dbraw/zinc/89/91/61/932899161.db2.gz LBSPEBLZOZSXGK-UHFFFAOYSA-N 2 1 386.565 3.985 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000799177549 932899261 /nfs/dbraw/zinc/89/92/61/932899261.db2.gz UNTHFJHFRBBZAM-INIZCTEOSA-N 2 1 387.351 3.541 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799177381 932899675 /nfs/dbraw/zinc/89/96/75/932899675.db2.gz NBQMDXACAWEMTJ-SJORKVTESA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799179717 932900363 /nfs/dbraw/zinc/90/03/63/932900363.db2.gz RTHVLAIQBNAXIH-LJQANCHMSA-N 2 1 377.960 3.715 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178459 932900855 /nfs/dbraw/zinc/90/08/55/932900855.db2.gz VMYJZHKLZCRNAT-OAHLLOKOSA-N 2 1 399.457 3.720 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000560482180 933283071 /nfs/dbraw/zinc/28/30/71/933283071.db2.gz LDMNDORLJUEDRS-WIYYLYMNSA-N 2 1 385.577 3.640 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000560482180 933283081 /nfs/dbraw/zinc/28/30/81/933283081.db2.gz LDMNDORLJUEDRS-WIYYLYMNSA-N 2 1 385.577 3.640 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000560504981 933297434 /nfs/dbraw/zinc/29/74/34/933297434.db2.gz CNXZSCRJWZWCFI-XLIONFOSSA-N 2 1 377.960 3.508 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000560538236 933323561 /nfs/dbraw/zinc/32/35/61/933323561.db2.gz QOTNYRKVPPBRDZ-DNVJHFABSA-N 2 1 392.547 3.820 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC001116563078 933635861 /nfs/dbraw/zinc/63/58/61/933635861.db2.gz VVINSWDORAFZSM-LJQANCHMSA-N 2 1 386.584 3.826 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH2+][C@@H](C)c3cnn(C)c3C)c2)cnn1C ZINC001117801558 934032782 /nfs/dbraw/zinc/03/27/82/934032782.db2.gz SBZRRLUJKGRKKY-CABCVRRESA-N 2 1 398.530 3.611 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC2)CC1 ZINC000561315084 934045749 /nfs/dbraw/zinc/04/57/49/934045749.db2.gz FRWHXWUGVWSCGC-KRWDZBQOSA-N 2 1 391.522 3.666 20 0 GHADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC001118057716 934083592 /nfs/dbraw/zinc/08/35/92/934083592.db2.gz GPPANYFUKQDNNX-KBPBESRZSA-N 2 1 377.554 3.708 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001149079794 934115568 /nfs/dbraw/zinc/11/55/68/934115568.db2.gz MVMIJYSYEFCIBG-NHCUHLMSSA-N 2 1 383.580 3.905 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001149079794 934115573 /nfs/dbraw/zinc/11/55/73/934115573.db2.gz MVMIJYSYEFCIBG-NHCUHLMSSA-N 2 1 383.580 3.905 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@H]1c1ccc(F)cc1 ZINC001119501795 934361447 /nfs/dbraw/zinc/36/14/47/934361447.db2.gz GOBMBLVOMQAXJR-ACIOBRDBSA-N 2 1 395.522 3.810 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@H]1c1ccc(F)cc1 ZINC001119501795 934361457 /nfs/dbraw/zinc/36/14/57/934361457.db2.gz GOBMBLVOMQAXJR-ACIOBRDBSA-N 2 1 395.522 3.810 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@H]1c1ccc(F)cc1 ZINC001119501795 934361468 /nfs/dbraw/zinc/36/14/68/934361468.db2.gz GOBMBLVOMQAXJR-ACIOBRDBSA-N 2 1 395.522 3.810 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@H]1c1ccc(F)cc1 ZINC001119501795 934361474 /nfs/dbraw/zinc/36/14/74/934361474.db2.gz GOBMBLVOMQAXJR-ACIOBRDBSA-N 2 1 395.522 3.810 20 0 GHADMP Cc1nc([C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)oc1-c1ccc(Cl)cc1 ZINC000931483120 934578933 /nfs/dbraw/zinc/57/89/33/934578933.db2.gz CKCUWDQFDDCTAG-HNNXBMFYSA-N 2 1 377.916 3.753 20 0 GHADMP O=C(NCc1ccccc1Cn1ccnc1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000562247912 934784996 /nfs/dbraw/zinc/78/49/96/934784996.db2.gz MCLUOUZHOPTSJM-QFIPXVFZSA-N 2 1 395.551 3.528 20 0 GHADMP CCn1c([C@@H]2CCCC[N@H+]2C2CCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121891244 934785814 /nfs/dbraw/zinc/78/58/14/934785814.db2.gz VVUXYUYYENIXAN-FQEVSTJZSA-N 2 1 388.604 3.734 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001122964021 935044872 /nfs/dbraw/zinc/04/48/72/935044872.db2.gz QEFXOGTYAWEONA-OAQYLSRUSA-N 2 1 390.487 3.725 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001122964021 935044878 /nfs/dbraw/zinc/04/48/78/935044878.db2.gz QEFXOGTYAWEONA-OAQYLSRUSA-N 2 1 390.487 3.725 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297012 935607824 /nfs/dbraw/zinc/60/78/24/935607824.db2.gz SDQSGPQXCFHHAR-STZQEDGTSA-N 2 1 385.552 3.640 20 0 GHADMP Brc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001137796722 935794895 /nfs/dbraw/zinc/79/48/95/935794895.db2.gz SLTIJJCPVCMJMN-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000829959512 935885589 /nfs/dbraw/zinc/88/55/89/935885589.db2.gz XQMZOHKPEGYNLD-APWZRJJASA-N 2 1 385.474 3.724 20 0 GHADMP CC(C)C[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468030710 1015169068 /nfs/dbraw/zinc/16/90/68/1015169068.db2.gz RAGVZHOMTIHMBY-UNMCSNQZSA-N 2 1 388.600 3.878 20 0 GHADMP CC(C)(C)[C@H](C[NH3+])NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001220857885 1032155792 /nfs/dbraw/zinc/15/57/92/1032155792.db2.gz WKYZIATUCRIHEW-KRWDZBQOSA-N 2 1 386.367 3.695 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC001220877143 1032166832 /nfs/dbraw/zinc/16/68/32/1032166832.db2.gz PJXKJOVMACZSBM-AABGKKOBSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001220877143 1032166839 /nfs/dbraw/zinc/16/68/39/1032166839.db2.gz PJXKJOVMACZSBM-AABGKKOBSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001220877143 1032166846 /nfs/dbraw/zinc/16/68/46/1032166846.db2.gz PJXKJOVMACZSBM-AABGKKOBSA-N 2 1 386.584 3.685 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001220879761 1032168845 /nfs/dbraw/zinc/16/88/45/1032168845.db2.gz DVNZCNDBCFJPTF-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP NC[C@H]([NH3+])c1ccc(C(=O)NC2(Cc3ccccc3)CCC(F)(F)CC2)cc1 ZINC001220942934 1032200767 /nfs/dbraw/zinc/20/07/67/1032200767.db2.gz MBVVSVRKDMHOQL-IBGZPJMESA-N 2 1 387.474 3.566 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1Cl ZINC001221074765 1032270406 /nfs/dbraw/zinc/27/04/06/1032270406.db2.gz SAQAOECKVJKPKR-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC12CC[NH+](C)CC2)C1CCCCC1 ZINC001221277408 1032356445 /nfs/dbraw/zinc/35/64/45/1032356445.db2.gz JQTFFKMPAHHXRE-UHFFFAOYSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001221435043 1032412833 /nfs/dbraw/zinc/41/28/33/1032412833.db2.gz ISFWATXNHNLEET-QHAWAJNXSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001221435043 1032412845 /nfs/dbraw/zinc/41/28/45/1032412845.db2.gz ISFWATXNHNLEET-QHAWAJNXSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001221435043 1032412850 /nfs/dbraw/zinc/41/28/50/1032412850.db2.gz ISFWATXNHNLEET-QHAWAJNXSA-N 2 1 392.632 3.793 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001221445331 1032418646 /nfs/dbraw/zinc/41/86/46/1032418646.db2.gz FYMSEOVYEZPAEI-RTWAWAEBSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001221464746 1032426023 /nfs/dbraw/zinc/42/60/23/1032426023.db2.gz LDTKLRPZZBEMHI-ZVDOUQERSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001221464746 1032426032 /nfs/dbraw/zinc/42/60/32/1032426032.db2.gz LDTKLRPZZBEMHI-ZVDOUQERSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001221464746 1032426037 /nfs/dbraw/zinc/42/60/37/1032426037.db2.gz LDTKLRPZZBEMHI-ZVDOUQERSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001221464744 1032426630 /nfs/dbraw/zinc/42/66/30/1032426630.db2.gz LDTKLRPZZBEMHI-SFHLNBCPSA-N 2 1 392.632 3.839 20 0 GHADMP CC(C)c1nccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155365034 1032520985 /nfs/dbraw/zinc/52/09/85/1032520985.db2.gz YZAGHKCCSFPIAG-HXUWFJFHSA-N 2 1 379.552 3.514 20 0 GHADMP CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)cc1 ZINC001204167008 1032619910 /nfs/dbraw/zinc/61/99/10/1032619910.db2.gz WFGIWBOWGVEJFC-SGNDLWITSA-N 2 1 393.579 3.777 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)cc1 ZINC001204167008 1032619922 /nfs/dbraw/zinc/61/99/22/1032619922.db2.gz WFGIWBOWGVEJFC-SGNDLWITSA-N 2 1 393.579 3.777 20 0 GHADMP CC(C)c1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001204167008 1032619927 /nfs/dbraw/zinc/61/99/27/1032619927.db2.gz WFGIWBOWGVEJFC-SGNDLWITSA-N 2 1 393.579 3.777 20 0 GHADMP CC(C)c1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001204167008 1032619936 /nfs/dbraw/zinc/61/99/36/1032619936.db2.gz WFGIWBOWGVEJFC-SGNDLWITSA-N 2 1 393.579 3.777 20 0 GHADMP C(c1nc2sc3c(c2c(N[C@H]2C[NH+]4CCC2CC4)n1)CCC3)[NH+]1CCCCC1 ZINC001155668235 1032631157 /nfs/dbraw/zinc/63/11/57/1032631157.db2.gz SMORKALIVNATRN-KRWDZBQOSA-N 2 1 397.592 3.672 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)cc1 ZINC001204267494 1032708697 /nfs/dbraw/zinc/70/86/97/1032708697.db2.gz SXQACOMREYFZQS-LJQANCHMSA-N 2 1 378.513 3.543 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](OC(=O)OC(C)(C)C)C2)cc1 ZINC001204267494 1032708707 /nfs/dbraw/zinc/70/87/07/1032708707.db2.gz SXQACOMREYFZQS-LJQANCHMSA-N 2 1 378.513 3.543 20 0 GHADMP O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560527223 1017652871 /nfs/dbraw/zinc/65/28/71/1017652871.db2.gz AUJBXJIBFTXROS-YTFSRNRJSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)cc1 ZINC001204272094 1032715251 /nfs/dbraw/zinc/71/52/51/1032715251.db2.gz VCJSYTFXCBKPGU-QFIPXVFZSA-N 2 1 381.520 3.620 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)cc1 ZINC001204272094 1032715265 /nfs/dbraw/zinc/71/52/65/1032715265.db2.gz VCJSYTFXCBKPGU-QFIPXVFZSA-N 2 1 381.520 3.620 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000561143690 1017803245 /nfs/dbraw/zinc/80/32/45/1017803245.db2.gz BCBSBUNCGMNWDI-INIZCTEOSA-N 2 1 389.490 3.966 20 0 GHADMP Brc1cccc2c1C[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000562768557 1018616396 /nfs/dbraw/zinc/61/63/96/1018616396.db2.gz VRTFREDEMCUAJL-QGZVFWFLSA-N 2 1 393.369 3.541 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415023 1032845729 /nfs/dbraw/zinc/84/57/29/1032845729.db2.gz WDMUKZQMWQPPCG-UYAOXDASSA-N 2 1 398.469 3.766 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415023 1032845742 /nfs/dbraw/zinc/84/57/42/1032845742.db2.gz WDMUKZQMWQPPCG-UYAOXDASSA-N 2 1 398.469 3.766 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415023 1032845759 /nfs/dbraw/zinc/84/57/59/1032845759.db2.gz WDMUKZQMWQPPCG-UYAOXDASSA-N 2 1 398.469 3.766 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415023 1032845774 /nfs/dbraw/zinc/84/57/74/1032845774.db2.gz WDMUKZQMWQPPCG-UYAOXDASSA-N 2 1 398.469 3.766 20 0 GHADMP CCN(Cc1c[nH]c2ccccc12)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572177130 1019748549 /nfs/dbraw/zinc/74/85/49/1019748549.db2.gz OZLYGZVZVLSSNZ-UHFFFAOYSA-N 2 1 396.579 3.713 20 0 GHADMP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000577449629 1020190087 /nfs/dbraw/zinc/19/00/87/1020190087.db2.gz NRDQZBSXZCCTTH-IFMALSPDSA-N 2 1 399.966 3.628 20 0 GHADMP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000577449629 1020190093 /nfs/dbraw/zinc/19/00/93/1020190093.db2.gz NRDQZBSXZCCTTH-IFMALSPDSA-N 2 1 399.966 3.628 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000577493047 1020210111 /nfs/dbraw/zinc/21/01/11/1020210111.db2.gz UZNZFFFMBSHSCU-ZDUSSCGKSA-N 2 1 375.365 3.773 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000577538672 1020230731 /nfs/dbraw/zinc/23/07/31/1020230731.db2.gz NXGJBAPUXYDDJQ-UHFFFAOYSA-N 2 1 388.562 3.887 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1 ZINC000579344929 1020407108 /nfs/dbraw/zinc/40/71/08/1020407108.db2.gz NCQUTECANOUMTG-REWPJTCUSA-N 2 1 382.548 3.858 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000646334999 1021130309 /nfs/dbraw/zinc/13/03/09/1021130309.db2.gz PWPQFQZIXUISDW-FQEVSTJZSA-N 2 1 399.579 3.546 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC[C@H]1[NH3+] ZINC000647497859 1021148727 /nfs/dbraw/zinc/14/87/27/1021148727.db2.gz YIVQZWYUESRUDT-DNVCBOLYSA-N 2 1 391.357 3.811 20 0 GHADMP Clc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2c(n1)C[NH2+]CC2 ZINC001156315342 1032976454 /nfs/dbraw/zinc/97/64/54/1032976454.db2.gz AURWMYLHMYWYCR-YTQUADARSA-N 2 1 382.939 3.703 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]c(N5CCCCC5)n4)[C@H]3C2)cc1 ZINC001156315987 1032978318 /nfs/dbraw/zinc/97/83/18/1032978318.db2.gz DTUZZGZJUTZPLZ-ACRUOGEOSA-N 2 1 377.536 3.789 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]c(N5CCCCC5)n4)[C@H]3C2)cc1 ZINC001156315987 1032978324 /nfs/dbraw/zinc/97/83/24/1032978324.db2.gz DTUZZGZJUTZPLZ-ACRUOGEOSA-N 2 1 377.536 3.789 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140334618 1021434146 /nfs/dbraw/zinc/43/41/46/1021434146.db2.gz SFXRELVDJZKQGV-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140334618 1021434153 /nfs/dbraw/zinc/43/41/53/1021434153.db2.gz SFXRELVDJZKQGV-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140334618 1021434161 /nfs/dbraw/zinc/43/41/61/1021434161.db2.gz SFXRELVDJZKQGV-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3nccs3)c1)C2 ZINC001140334618 1021434167 /nfs/dbraw/zinc/43/41/67/1021434167.db2.gz SFXRELVDJZKQGV-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(-c5cncnc5)cc4)C[C@H]3C2)c1 ZINC001140353159 1021476844 /nfs/dbraw/zinc/47/68/44/1021476844.db2.gz ZUNIRFQPRQDJHS-SFTDATJTSA-N 2 1 376.529 3.769 20 0 GHADMP C[N@H+](Cc1cn(C(=O)OC(C)(C)C)c2cccc(O)c12)CC1CC[NH+](C)CC1 ZINC001140360343 1021492996 /nfs/dbraw/zinc/49/29/96/1021492996.db2.gz PNFHKEPBPGZLCA-UHFFFAOYSA-N 2 1 387.524 3.904 20 0 GHADMP COc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001140479623 1021774999 /nfs/dbraw/zinc/77/49/99/1021774999.db2.gz LBEMJEDKXDKKIG-OFAXGOBFSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001140479623 1021775019 /nfs/dbraw/zinc/77/50/19/1021775019.db2.gz LBEMJEDKXDKKIG-OFAXGOBFSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001140479623 1021775038 /nfs/dbraw/zinc/77/50/38/1021775038.db2.gz LBEMJEDKXDKKIG-OFAXGOBFSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001140479623 1021775056 /nfs/dbraw/zinc/77/50/56/1021775056.db2.gz LBEMJEDKXDKKIG-OFAXGOBFSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001140479622 1021775846 /nfs/dbraw/zinc/77/58/46/1021775846.db2.gz LBEMJEDKXDKKIG-NMNUPHIUSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001140479622 1021775868 /nfs/dbraw/zinc/77/58/68/1021775868.db2.gz LBEMJEDKXDKKIG-NMNUPHIUSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001140479622 1021775891 /nfs/dbraw/zinc/77/58/91/1021775891.db2.gz LBEMJEDKXDKKIG-NMNUPHIUSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001140479622 1021775907 /nfs/dbraw/zinc/77/59/07/1021775907.db2.gz LBEMJEDKXDKKIG-NMNUPHIUSA-N 2 1 383.511 3.962 20 0 GHADMP CN(C)c1nc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(Cl)n1-c1ccccc1 ZINC000835064400 1021843465 /nfs/dbraw/zinc/84/34/65/1021843465.db2.gz VYRYKRPUHDUMJW-UHFFFAOYSA-N 2 1 375.948 3.556 20 0 GHADMP C[C@@H]1C[C@H](Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)CC[NH+]1C ZINC000679087184 1021959402 /nfs/dbraw/zinc/95/94/02/1021959402.db2.gz RMCHUOPHRHEHLJ-JFIYKMOQSA-N 2 1 376.520 3.533 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000679087184 1021959411 /nfs/dbraw/zinc/95/94/11/1021959411.db2.gz RMCHUOPHRHEHLJ-JFIYKMOQSA-N 2 1 376.520 3.533 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000679087184 1021959412 /nfs/dbraw/zinc/95/94/12/1021959412.db2.gz RMCHUOPHRHEHLJ-JFIYKMOQSA-N 2 1 376.520 3.533 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681753420 1022324016 /nfs/dbraw/zinc/32/40/16/1022324016.db2.gz UUGWOSMZQWRGIT-DEOSSOPVSA-N 2 1 377.532 3.740 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681753420 1022324028 /nfs/dbraw/zinc/32/40/28/1022324028.db2.gz UUGWOSMZQWRGIT-DEOSSOPVSA-N 2 1 377.532 3.740 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681753420 1022324046 /nfs/dbraw/zinc/32/40/46/1022324046.db2.gz UUGWOSMZQWRGIT-DEOSSOPVSA-N 2 1 377.532 3.740 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681753420 1022324057 /nfs/dbraw/zinc/32/40/57/1022324057.db2.gz UUGWOSMZQWRGIT-DEOSSOPVSA-N 2 1 377.532 3.740 20 0 GHADMP Nc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001140714152 1022346522 /nfs/dbraw/zinc/34/65/22/1022346522.db2.gz LQMPUUXWUPJMBX-UHFFFAOYSA-N 2 1 391.968 3.851 20 0 GHADMP Nc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001140714152 1022346534 /nfs/dbraw/zinc/34/65/34/1022346534.db2.gz LQMPUUXWUPJMBX-UHFFFAOYSA-N 2 1 391.968 3.851 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cnc3cc[nH]cc1-3)CC2 ZINC001140802776 1022571673 /nfs/dbraw/zinc/57/16/73/1022571673.db2.gz CTUCGXPFUXDDJC-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140802776 1022571690 /nfs/dbraw/zinc/57/16/90/1022571690.db2.gz CTUCGXPFUXDDJC-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140802776 1022571704 /nfs/dbraw/zinc/57/17/04/1022571704.db2.gz CTUCGXPFUXDDJC-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802776 1022571708 /nfs/dbraw/zinc/57/17/08/1022571708.db2.gz CTUCGXPFUXDDJC-UHFFFAOYSA-N 3 1 375.520 3.835 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802776 1022571729 /nfs/dbraw/zinc/57/17/29/1022571729.db2.gz CTUCGXPFUXDDJC-UHFFFAOYSA-N 3 1 375.520 3.835 20 0 GHADMP Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803949 1022576272 /nfs/dbraw/zinc/57/62/72/1022576272.db2.gz WPEFGOJMFLPCKJ-UNMCSNQZSA-N 2 1 396.466 3.547 20 0 GHADMP Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803949 1022576280 /nfs/dbraw/zinc/57/62/80/1022576280.db2.gz WPEFGOJMFLPCKJ-UNMCSNQZSA-N 2 1 396.466 3.547 20 0 GHADMP Clc1cccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1Cl ZINC001204757225 1033069991 /nfs/dbraw/zinc/06/99/91/1033069991.db2.gz WXQFMSHNBZYQBJ-UHFFFAOYSA-N 2 1 376.331 3.961 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1nc3ccccc3[nH]1)CC2 ZINC001204759356 1033071951 /nfs/dbraw/zinc/07/19/51/1033071951.db2.gz ADOYRNYZKSYQPY-KRWDZBQOSA-N 2 1 396.560 3.880 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204763780 1033076193 /nfs/dbraw/zinc/07/61/93/1033076193.db2.gz QGTRGLMFUKGMJI-QFIPXVFZSA-N 2 1 377.532 3.942 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204763780 1033076216 /nfs/dbraw/zinc/07/62/16/1033076216.db2.gz QGTRGLMFUKGMJI-QFIPXVFZSA-N 2 1 377.532 3.942 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CCN(Cc2cccc(OC(F)F)c2)CC3)cn1 ZINC001204829178 1033109744 /nfs/dbraw/zinc/10/97/44/1033109744.db2.gz GIAKSKGTCKBNIB-UHFFFAOYSA-N 2 1 390.478 3.652 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccncc2NC(=O)OC(C)(C)C)CC1 ZINC001141085299 1023455289 /nfs/dbraw/zinc/45/52/89/1023455289.db2.gz BFOOYKNJKABVNX-UHFFFAOYSA-N 2 1 376.545 3.981 20 0 GHADMP Oc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c2ccccc12 ZINC001138058764 1023964461 /nfs/dbraw/zinc/96/44/61/1023964461.db2.gz YEOUUMXMCKYNQZ-UHFFFAOYSA-N 2 1 390.531 3.786 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC001138501889 1024935265 /nfs/dbraw/zinc/93/52/65/1024935265.db2.gz OQRCMWOOLFYOJF-UHFFFAOYSA-N 2 1 389.547 3.991 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138769015 1025339197 /nfs/dbraw/zinc/33/91/97/1025339197.db2.gz IAMYSWSBQIYEOD-IBGZPJMESA-N 2 1 391.556 3.506 20 0 GHADMP COc1cccc([C@@H]2CSCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138773307 1025344951 /nfs/dbraw/zinc/34/49/51/1025344951.db2.gz ALAPWGJGSXRDDL-QFIPXVFZSA-N 2 1 386.561 3.926 20 0 GHADMP COc1cccc([C@@H]2CSCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138773307 1025344964 /nfs/dbraw/zinc/34/49/64/1025344964.db2.gz ALAPWGJGSXRDDL-QFIPXVFZSA-N 2 1 386.561 3.926 20 0 GHADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n([C@@H]2CCCCO2)n1 ZINC001138785022 1025358317 /nfs/dbraw/zinc/35/83/17/1025358317.db2.gz MTFUZRLAOCUEKG-AKFKNWHVSA-N 2 1 394.563 3.926 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n([C@@H]2CCCCO2)n1 ZINC001138785022 1025358334 /nfs/dbraw/zinc/35/83/34/1025358334.db2.gz MTFUZRLAOCUEKG-AKFKNWHVSA-N 2 1 394.563 3.926 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n([C@@H]2CCCCO2)n1 ZINC001138785022 1025358348 /nfs/dbraw/zinc/35/83/48/1025358348.db2.gz MTFUZRLAOCUEKG-AKFKNWHVSA-N 2 1 394.563 3.926 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257106 1025377362 /nfs/dbraw/zinc/37/73/62/1025377362.db2.gz DBELWGBNKAKGEQ-WOJBJXKFSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257106 1025377370 /nfs/dbraw/zinc/37/73/70/1025377370.db2.gz DBELWGBNKAKGEQ-WOJBJXKFSA-N 2 1 390.572 3.941 20 0 GHADMP CCN(CC)c1ncc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802051 1025389412 /nfs/dbraw/zinc/38/94/12/1025389412.db2.gz AZNUPCLSHZPNJK-UXHICEINSA-N 2 1 384.593 3.943 20 0 GHADMP O=C(NCC[NH2+]C(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001161896849 1025481163 /nfs/dbraw/zinc/48/11/63/1025481163.db2.gz YDYQUYCHWMTPEJ-QHCPKHFHSA-N 2 1 391.559 3.889 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4cnc5ccccc5n4)CC3)C2)c1 ZINC001138864428 1025489061 /nfs/dbraw/zinc/48/90/61/1025489061.db2.gz RMMWNAMXFDVNKT-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc5ccccc5n4)CC3)C2)c1 ZINC001138864428 1025489068 /nfs/dbraw/zinc/48/90/68/1025489068.db2.gz RMMWNAMXFDVNKT-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP CCc1cc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001162055933 1025572019 /nfs/dbraw/zinc/57/20/19/1025572019.db2.gz QFKAIHRZOGOBRX-UHFFFAOYSA-N 2 1 378.442 3.907 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)CCCc2ccccc2)c1C ZINC001141571297 1025603276 /nfs/dbraw/zinc/60/32/76/1025603276.db2.gz PDKZQSJZGUOHFQ-UHFFFAOYSA-N 2 1 398.595 3.768 20 0 GHADMP FC(F)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001162940709 1025977768 /nfs/dbraw/zinc/97/77/68/1025977768.db2.gz KTVOERFVJFCFOM-LJQANCHMSA-N 2 1 386.490 3.933 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cc[nH+]c(C4CC4)c3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941047 1025977813 /nfs/dbraw/zinc/97/78/13/1025977813.db2.gz PWWKBVNVLLGOTC-OAQYLSRUSA-N 3 1 376.548 3.873 20 0 GHADMP Fc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc2[nH]cnc21 ZINC001162941678 1025978533 /nfs/dbraw/zinc/97/85/33/1025978533.db2.gz ZBYUMNYHVZDVCR-GOSISDBHSA-N 2 1 393.510 3.616 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4c(c3)NCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941803 1025978797 /nfs/dbraw/zinc/97/87/97/1025978797.db2.gz QDZQCMIGBHVLMJ-NRFANRHFSA-N 2 1 376.548 3.568 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cccc(C)c34)CC2)C1 ZINC001139195720 1026036701 /nfs/dbraw/zinc/03/67/01/1026036701.db2.gz VCYCDMDGSNCJLC-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cccc(C)c34)CC2)C1 ZINC001139195720 1026036721 /nfs/dbraw/zinc/03/67/21/1026036721.db2.gz VCYCDMDGSNCJLC-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP c1cc2c(s1)[C@H](Nc1nccc3c1CC[N@H+](Cc1ccccc1)C3)C[NH2+]C2 ZINC001163221342 1026092596 /nfs/dbraw/zinc/09/25/96/1026092596.db2.gz RZYIWOOPFDGIQU-HXUWFJFHSA-N 2 1 376.529 3.958 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)cn2)CC1 ZINC001461058873 1069367711 /nfs/dbraw/zinc/36/77/11/1069367711.db2.gz RGVWIZHJOFFGCM-UHFFFAOYSA-N 2 1 393.560 3.637 20 0 GHADMP FC(F)(F)c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]c2c1CCCCC2 ZINC001163276469 1026119366 /nfs/dbraw/zinc/11/93/66/1026119366.db2.gz AXXWVARQARMMIW-LIRRHRJNSA-N 2 1 383.458 3.940 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)[C@@H](C)C1 ZINC001163363959 1026159593 /nfs/dbraw/zinc/15/95/93/1026159593.db2.gz AZKUWKYBVSFLRN-RDJZCZTQSA-N 2 1 387.528 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)[C@@H](C)C1 ZINC001163363959 1026159607 /nfs/dbraw/zinc/15/96/07/1026159607.db2.gz AZKUWKYBVSFLRN-RDJZCZTQSA-N 2 1 387.528 3.509 20 0 GHADMP CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[N@@H+](C)C(C)(C)C2)n1 ZINC001163629559 1026258897 /nfs/dbraw/zinc/25/88/97/1026258897.db2.gz JDYSAIDHJNUKGU-UHFFFAOYSA-N 2 1 395.576 3.950 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cc(Br)cnc3N)CC2)CC1 ZINC001139451682 1026317568 /nfs/dbraw/zinc/31/75/68/1026317568.db2.gz MJRQZGOHUHHKTN-UHFFFAOYSA-N 2 1 395.389 3.760 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC001461092920 1069384561 /nfs/dbraw/zinc/38/45/61/1069384561.db2.gz VOXQSUHYQMWHOO-ZJSXRUAMSA-N 2 1 386.628 3.819 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001139513421 1026368043 /nfs/dbraw/zinc/36/80/43/1026368043.db2.gz SVGKTBBPEXOTQJ-NOZRDPDXSA-N 2 1 391.559 3.620 20 0 GHADMP OC12C[C@@H]3C[C@H](C1)CC(Nc1ccc4c(c1)[nH+]cn4[C@@H]1CCC[NH2+]CC1)(C3)C2 ZINC001164112457 1026424979 /nfs/dbraw/zinc/42/49/79/1026424979.db2.gz SYSWOJPABARKGZ-VOZBEMBGSA-N 2 1 380.536 3.847 20 0 GHADMP Cc1cc(N2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)c2ccccc2[nH+]1 ZINC001164203353 1026450452 /nfs/dbraw/zinc/45/04/52/1026450452.db2.gz UBVMTCIDHZLDEH-UHFFFAOYSA-N 2 1 387.531 3.859 20 0 GHADMP CCOC(=O)c1csc2cc(NCC3([NH+](C)C)CC[NH+](C)CC3)ccc12 ZINC001164216014 1026455660 /nfs/dbraw/zinc/45/56/60/1026455660.db2.gz QFUMBXUYBXQWSG-UHFFFAOYSA-N 2 1 375.538 3.516 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139620607 1026488124 /nfs/dbraw/zinc/48/81/24/1026488124.db2.gz SIJKPGRJPYMBHK-URXFXBBRSA-N 2 1 386.580 3.999 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139620607 1026488129 /nfs/dbraw/zinc/48/81/29/1026488129.db2.gz SIJKPGRJPYMBHK-URXFXBBRSA-N 2 1 386.580 3.999 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139620607 1026488133 /nfs/dbraw/zinc/48/81/33/1026488133.db2.gz SIJKPGRJPYMBHK-URXFXBBRSA-N 2 1 386.580 3.999 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139620607 1026488136 /nfs/dbraw/zinc/48/81/36/1026488136.db2.gz SIJKPGRJPYMBHK-URXFXBBRSA-N 2 1 386.580 3.999 20 0 GHADMP C[NH+]1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)cc2)CC1 ZINC001164493333 1026530039 /nfs/dbraw/zinc/53/00/39/1026530039.db2.gz RUHOCNMJYCGVOL-IEZKXTBUSA-N 2 1 390.575 3.761 20 0 GHADMP [NH3+][C@@H]1CCN(Cc2cccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)c2)C1 ZINC001164499954 1026536781 /nfs/dbraw/zinc/53/67/81/1026536781.db2.gz WCUDIYFXKQXFSL-YQIMAOPZSA-N 2 1 390.575 3.542 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4cccnc4c3)C[C@@H]21 ZINC001139741540 1026583064 /nfs/dbraw/zinc/58/30/64/1026583064.db2.gz LWTZJMFQORVLAR-ZCVJKFOLSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4cccnc4c3)C[C@@H]21 ZINC001139741540 1026583074 /nfs/dbraw/zinc/58/30/74/1026583074.db2.gz LWTZJMFQORVLAR-ZCVJKFOLSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4cccnc4c3)C[C@@H]21 ZINC001139741540 1026583078 /nfs/dbraw/zinc/58/30/78/1026583078.db2.gz LWTZJMFQORVLAR-ZCVJKFOLSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4cccnc4c3)C[C@@H]21 ZINC001139741540 1026583087 /nfs/dbraw/zinc/58/30/87/1026583087.db2.gz LWTZJMFQORVLAR-ZCVJKFOLSA-N 2 1 387.531 3.757 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2F)cc1 ZINC001165213320 1026669322 /nfs/dbraw/zinc/66/93/22/1026669322.db2.gz KZVYAICNIWOYSR-HXUWFJFHSA-N 2 1 399.510 3.988 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165247062 1026678723 /nfs/dbraw/zinc/67/87/23/1026678723.db2.gz MILYKHIAJZNZSC-UHFFFAOYSA-N 2 1 379.483 3.731 20 0 GHADMP c1cc(C[NH+]2CCCCC2)cc(NCc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC001165325794 1026704297 /nfs/dbraw/zinc/70/42/97/1026704297.db2.gz DHQSZDAGBSXYPP-UHFFFAOYSA-N 2 1 380.536 3.512 20 0 GHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3nccc(Br)c23)C1 ZINC001139945855 1026751879 /nfs/dbraw/zinc/75/18/79/1026751879.db2.gz KYZNQFJCYZHHES-CQSZACIVSA-N 2 1 387.281 3.682 20 0 GHADMP CCOC[C@@H]1CN(Cc2ccccc2-n2ccnc2C)Cc2cn(CC)nc21 ZINC001140025629 1026813561 /nfs/dbraw/zinc/81/35/61/1026813561.db2.gz QUESJYHUQZSSNQ-FQEVSTJZSA-N 2 1 379.508 3.533 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC001140144015 1026918349 /nfs/dbraw/zinc/91/83/49/1026918349.db2.gz POLFXNIQQIDTDL-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC001140144015 1026918355 /nfs/dbraw/zinc/91/83/55/1026918355.db2.gz POLFXNIQQIDTDL-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccc4cnccc43)CC[C@@H]21 ZINC001140144015 1026918358 /nfs/dbraw/zinc/91/83/58/1026918358.db2.gz POLFXNIQQIDTDL-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CN(C)c1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001209773685 1027180016 /nfs/dbraw/zinc/18/00/16/1027180016.db2.gz GFUFJNXUUSEKJH-NOZRDPDXSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209773685 1027180028 /nfs/dbraw/zinc/18/00/28/1027180028.db2.gz GFUFJNXUUSEKJH-NOZRDPDXSA-N 2 1 397.607 3.713 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209773685 1027180039 /nfs/dbraw/zinc/18/00/39/1027180039.db2.gz GFUFJNXUUSEKJH-NOZRDPDXSA-N 2 1 397.607 3.713 20 0 GHADMP C[C@@H]1[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001141775455 1027213691 /nfs/dbraw/zinc/21/36/91/1027213691.db2.gz PGLNPZPMUKTXDY-WZONZLPQSA-N 2 1 386.499 3.640 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)cc1 ZINC001203306074 1027267073 /nfs/dbraw/zinc/26/70/73/1027267073.db2.gz DMZLETMEZPIMIK-ZCYQVOJMSA-N 2 1 391.559 3.832 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)cc1 ZINC001203306074 1027267086 /nfs/dbraw/zinc/26/70/86/1027267086.db2.gz DMZLETMEZPIMIK-ZCYQVOJMSA-N 2 1 391.559 3.832 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)cc1 ZINC001203306074 1027267105 /nfs/dbraw/zinc/26/71/05/1027267105.db2.gz DMZLETMEZPIMIK-ZCYQVOJMSA-N 2 1 391.559 3.832 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1OC ZINC001203445398 1027343555 /nfs/dbraw/zinc/34/35/55/1027343555.db2.gz FUPDZGAPKQDFLF-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP Brc1ccc2c(ccnc2Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210262129 1027411308 /nfs/dbraw/zinc/41/13/08/1027411308.db2.gz SPNSNEFANWOEGA-UHFFFAOYSA-N 2 1 384.281 3.546 20 0 GHADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829650 1027639466 /nfs/dbraw/zinc/63/94/66/1027639466.db2.gz GSONWLNLKBMODJ-OAQYLSRUSA-N 2 1 382.504 3.574 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829650 1027639476 /nfs/dbraw/zinc/63/94/76/1027639476.db2.gz GSONWLNLKBMODJ-OAQYLSRUSA-N 2 1 382.504 3.574 20 0 GHADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829650 1027639487 /nfs/dbraw/zinc/63/94/87/1027639487.db2.gz GSONWLNLKBMODJ-OAQYLSRUSA-N 2 1 382.504 3.574 20 0 GHADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001203829650 1027639493 /nfs/dbraw/zinc/63/94/93/1027639493.db2.gz GSONWLNLKBMODJ-OAQYLSRUSA-N 2 1 382.504 3.574 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001203955398 1027751766 /nfs/dbraw/zinc/75/17/66/1027751766.db2.gz NBHBGPWQWYNMTH-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001203955398 1027751780 /nfs/dbraw/zinc/75/17/80/1027751780.db2.gz NBHBGPWQWYNMTH-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001203955398 1027751791 /nfs/dbraw/zinc/75/17/91/1027751791.db2.gz NBHBGPWQWYNMTH-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001203955398 1027751809 /nfs/dbraw/zinc/75/18/09/1027751809.db2.gz NBHBGPWQWYNMTH-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)C1 ZINC001203997695 1027794949 /nfs/dbraw/zinc/79/49/49/1027794949.db2.gz WAKMRQQJNNZULT-LJQANCHMSA-N 2 1 396.531 3.698 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)C1 ZINC001203997695 1027794957 /nfs/dbraw/zinc/79/49/57/1027794957.db2.gz WAKMRQQJNNZULT-LJQANCHMSA-N 2 1 396.531 3.698 20 0 GHADMP CC(C)[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001211244140 1027853709 /nfs/dbraw/zinc/85/37/09/1027853709.db2.gz DIMKPVAWYTYPQZ-VQTJNVASSA-N 2 1 380.621 3.553 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1OCc1ccc(F)cc1 ZINC001204089771 1027867314 /nfs/dbraw/zinc/86/73/14/1027867314.db2.gz QOOCNDHSOVZVEM-CEWLAPEOSA-N 2 1 384.495 3.843 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204116546 1027887892 /nfs/dbraw/zinc/88/78/92/1027887892.db2.gz QCWUXINVORKMIO-SESVDKBCSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204116546 1027887925 /nfs/dbraw/zinc/88/79/25/1027887925.db2.gz QCWUXINVORKMIO-SESVDKBCSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204116546 1027887942 /nfs/dbraw/zinc/88/79/42/1027887942.db2.gz QCWUXINVORKMIO-SESVDKBCSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204116546 1027887964 /nfs/dbraw/zinc/88/79/64/1027887964.db2.gz QCWUXINVORKMIO-SESVDKBCSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(Cl)nn2)CC3)c1 ZINC001142068443 1028021464 /nfs/dbraw/zinc/02/14/64/1028021464.db2.gz BRHLJCKVCMTENN-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(Cl)nn2)CC3)c1 ZINC001142068443 1028021479 /nfs/dbraw/zinc/02/14/79/1028021479.db2.gz BRHLJCKVCMTENN-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001142141955 1028233813 /nfs/dbraw/zinc/23/38/13/1028233813.db2.gz HDSXHNUWQHEORY-ADYITMSISA-N 2 1 385.596 3.832 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001142141955 1028233827 /nfs/dbraw/zinc/23/38/27/1028233827.db2.gz HDSXHNUWQHEORY-ADYITMSISA-N 2 1 385.596 3.832 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC001142185092 1028319518 /nfs/dbraw/zinc/31/95/18/1028319518.db2.gz RMNOOUIQBZYIKF-UHFFFAOYSA-N 2 1 391.648 3.885 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC000841286633 1028373098 /nfs/dbraw/zinc/37/30/98/1028373098.db2.gz GDJBFTWDBGAZEJ-WIYYLYMNSA-N 2 1 396.535 3.541 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)c1 ZINC001142243933 1028456437 /nfs/dbraw/zinc/45/64/37/1028456437.db2.gz GHNSTGYKXZNUMU-XMMPIXPASA-N 2 1 393.575 3.709 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC001142243933 1028456445 /nfs/dbraw/zinc/45/64/45/1028456445.db2.gz GHNSTGYKXZNUMU-XMMPIXPASA-N 2 1 393.575 3.709 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001142243933 1028456453 /nfs/dbraw/zinc/45/64/53/1028456453.db2.gz GHNSTGYKXZNUMU-XMMPIXPASA-N 2 1 393.575 3.709 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001461379231 1069525920 /nfs/dbraw/zinc/52/59/20/1069525920.db2.gz MMAHMNWBDVFHCA-IBGZPJMESA-N 2 1 394.437 3.832 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559876 1029063298 /nfs/dbraw/zinc/06/32/98/1029063298.db2.gz MUPCWRGVWUGJSP-YADHBBJMSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559876 1029063307 /nfs/dbraw/zinc/06/33/07/1029063307.db2.gz MUPCWRGVWUGJSP-YADHBBJMSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559876 1029063318 /nfs/dbraw/zinc/06/33/18/1029063318.db2.gz MUPCWRGVWUGJSP-YADHBBJMSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001142627368 1029173558 /nfs/dbraw/zinc/17/35/58/1029173558.db2.gz LJXQBEZAEAHINJ-IBGZPJMESA-N 2 1 375.582 3.603 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC001142837241 1029554889 /nfs/dbraw/zinc/55/48/89/1029554889.db2.gz IYVSMKQCGONKHO-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC001142837241 1029554899 /nfs/dbraw/zinc/55/48/99/1029554899.db2.gz IYVSMKQCGONKHO-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)C1 ZINC001142837241 1029554911 /nfs/dbraw/zinc/55/49/11/1029554911.db2.gz IYVSMKQCGONKHO-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)c1 ZINC001142936680 1029717813 /nfs/dbraw/zinc/71/78/13/1029717813.db2.gz UGWMJPNHZVTSAN-DPLHUUCSSA-N 2 1 396.579 3.882 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)c1 ZINC001142936680 1029717827 /nfs/dbraw/zinc/71/78/27/1029717827.db2.gz UGWMJPNHZVTSAN-DPLHUUCSSA-N 2 1 396.579 3.882 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001142936680 1029717835 /nfs/dbraw/zinc/71/78/35/1029717835.db2.gz UGWMJPNHZVTSAN-DPLHUUCSSA-N 2 1 396.579 3.882 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)c1 ZINC001142936680 1029717842 /nfs/dbraw/zinc/71/78/42/1029717842.db2.gz UGWMJPNHZVTSAN-DPLHUUCSSA-N 2 1 396.579 3.882 20 0 GHADMP CC[N@H+](C)[C@H](c1nc(-c2ccc(N3CCC([NH3+])CC3)cc2)no1)c1ccccc1 ZINC000843144480 1029827760 /nfs/dbraw/zinc/82/77/60/1029827760.db2.gz ZKXHFSNONDTNDX-NRFANRHFSA-N 2 1 391.519 3.705 20 0 GHADMP CC[N@@H+](C)[C@H](c1nc(-c2ccc(N3CCC([NH3+])CC3)cc2)no1)c1ccccc1 ZINC000843144480 1029827767 /nfs/dbraw/zinc/82/77/67/1029827767.db2.gz ZKXHFSNONDTNDX-NRFANRHFSA-N 2 1 391.519 3.705 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC001143139897 1029864148 /nfs/dbraw/zinc/86/41/48/1029864148.db2.gz FJYWLEYAMOTQEG-AGILITTLSA-N 2 1 393.575 3.818 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001222010104 1029930594 /nfs/dbraw/zinc/93/05/94/1029930594.db2.gz QFNDTIMSMQQPPZ-FGZHOGPDSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000843354710 1029933687 /nfs/dbraw/zinc/93/36/87/1029933687.db2.gz DHLSQRVJOXMUBX-JMLCCBQJSA-N 2 1 384.351 3.859 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000843363680 1029940593 /nfs/dbraw/zinc/94/05/93/1029940593.db2.gz IYHYORZMEBZRRZ-JOCHJYFZSA-N 2 1 397.950 3.621 20 0 GHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363827 1029942424 /nfs/dbraw/zinc/94/24/24/1029942424.db2.gz CJPKTJKIAQGRSR-UONOGXRCSA-N 2 1 386.565 3.658 20 0 GHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363827 1029942429 /nfs/dbraw/zinc/94/24/29/1029942429.db2.gz CJPKTJKIAQGRSR-UONOGXRCSA-N 2 1 386.565 3.658 20 0 GHADMP CC(C)(C)OC(=O)NCC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000404860074 1029964103 /nfs/dbraw/zinc/96/41/03/1029964103.db2.gz VTMYETPLHRHJMD-UHFFFAOYSA-N 2 1 387.568 3.936 20 0 GHADMP COc1cc(Br)cnc1C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222114543 1029969579 /nfs/dbraw/zinc/96/95/79/1029969579.db2.gz ZRRMABDRUKFIBA-UHFFFAOYSA-N 2 1 396.373 3.989 20 0 GHADMP Brc1ccc2cc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)ccc2c1 ZINC001222181599 1029990114 /nfs/dbraw/zinc/99/01/14/1029990114.db2.gz PIWGNXAHDGRAHI-UHFFFAOYSA-N 2 1 375.310 3.557 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CC[C@@H](C)CCCC(C)(C)OC)CC[NH2+]CC2 ZINC001222215383 1030011106 /nfs/dbraw/zinc/01/11/06/1030011106.db2.gz DGMSBQJPMPVMIA-OALUTQOASA-N 2 1 382.589 3.615 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1ccc(Cl)c(I)c1)CC2 ZINC001222215878 1030011760 /nfs/dbraw/zinc/01/17/60/1030011760.db2.gz MVYWHTDMXPNUHO-UHFFFAOYSA-N 2 1 390.696 3.648 20 0 GHADMP CCCCCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C(=O)OCC)CC[NH2+]CC3)cc1 ZINC001222221607 1030016666 /nfs/dbraw/zinc/01/66/66/1030016666.db2.gz OIYMDRYTKGMSQF-OAQYLSRUSA-N 2 1 388.552 3.763 20 0 GHADMP CCCCCOc1ccc(C[N@H+]2CC3(C[C@@H]2C(=O)OCC)CC[NH2+]CC3)cc1 ZINC001222221607 1030016679 /nfs/dbraw/zinc/01/66/79/1030016679.db2.gz OIYMDRYTKGMSQF-OAQYLSRUSA-N 2 1 388.552 3.763 20 0 GHADMP Fc1ccc(OCc2ccccc2)c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407698 1030112643 /nfs/dbraw/zinc/11/26/43/1030112643.db2.gz MEFPRTDQOWTTGU-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP COc1cc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1O ZINC001222575581 1030206703 /nfs/dbraw/zinc/20/67/03/1030206703.db2.gz NOTGLTRVYRTAMI-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP COc1cc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1O ZINC001222575581 1030206721 /nfs/dbraw/zinc/20/67/21/1030206721.db2.gz NOTGLTRVYRTAMI-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP COc1cc(C)c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222590683 1030215558 /nfs/dbraw/zinc/21/55/58/1030215558.db2.gz LUADZJQKWVRLGE-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1cc(C)c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222590683 1030215577 /nfs/dbraw/zinc/21/55/77/1030215577.db2.gz LUADZJQKWVRLGE-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001150920517 1030708351 /nfs/dbraw/zinc/70/83/51/1030708351.db2.gz MXGMVZHNRCCTBW-LJQANCHMSA-N 2 1 394.346 3.844 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001150920517 1030708368 /nfs/dbraw/zinc/70/83/68/1030708368.db2.gz MXGMVZHNRCCTBW-LJQANCHMSA-N 2 1 394.346 3.844 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)c1 ZINC001224034616 1030855954 /nfs/dbraw/zinc/85/59/54/1030855954.db2.gz FHSCHDKJSRHEBH-JOCHJYFZSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC001224034616 1030855977 /nfs/dbraw/zinc/85/59/77/1030855977.db2.gz FHSCHDKJSRHEBH-JOCHJYFZSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC001224034616 1030856003 /nfs/dbraw/zinc/85/60/03/1030856003.db2.gz FHSCHDKJSRHEBH-JOCHJYFZSA-N 2 1 388.600 3.933 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206640736 1030872716 /nfs/dbraw/zinc/87/27/16/1030872716.db2.gz MCDJRRATEPLUFH-IBGZPJMESA-N 2 1 382.504 3.613 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218337270 1030901296 /nfs/dbraw/zinc/90/12/96/1030901296.db2.gz WGPFOHLCCTUEPD-RDPSFJRHSA-N 2 1 393.575 3.899 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001219023401 1031216422 /nfs/dbraw/zinc/21/64/22/1031216422.db2.gz AXERWDHHIRWVFA-GMAHTHKFSA-N 2 1 398.595 3.606 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001219023655 1031217095 /nfs/dbraw/zinc/21/70/95/1031217095.db2.gz ICFVKEQLOOPDGH-NRFANRHFSA-N 3 1 388.600 3.885 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cccc2[C@H](c2ccccc2)C1 ZINC001219047407 1031229251 /nfs/dbraw/zinc/22/92/51/1031229251.db2.gz XMKLGSMIUBQZDV-WIOPSUGQSA-N 2 1 397.522 3.917 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001220552734 1031986702 /nfs/dbraw/zinc/98/67/02/1031986702.db2.gz VFHIFNOUUCZBOB-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001156965289 1033346390 /nfs/dbraw/zinc/34/63/90/1033346390.db2.gz SMBONBYOPLCCBS-PZJWPPBQSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001156965289 1033346403 /nfs/dbraw/zinc/34/64/03/1033346403.db2.gz SMBONBYOPLCCBS-PZJWPPBQSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001156965289 1033346421 /nfs/dbraw/zinc/34/64/21/1033346421.db2.gz SMBONBYOPLCCBS-PZJWPPBQSA-N 2 1 399.579 3.687 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]([N@@H+](C)C(C)C)C3)c2c1C ZINC001157018951 1033373176 /nfs/dbraw/zinc/37/31/76/1033373176.db2.gz BKNBVUIESPAZQN-KRWDZBQOSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]([N@H+](C)C(C)C)C3)c2c1C ZINC001157018951 1033373193 /nfs/dbraw/zinc/37/31/93/1033373193.db2.gz BKNBVUIESPAZQN-KRWDZBQOSA-N 2 1 387.597 3.823 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001229274521 1033384713 /nfs/dbraw/zinc/38/47/13/1033384713.db2.gz BDVUTZSFUGOBIX-OAQYLSRUSA-N 2 1 390.616 3.691 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC001461848336 1069789143 /nfs/dbraw/zinc/78/91/43/1069789143.db2.gz AGHLNXFMSCDGER-KNQAVFIVSA-N 2 1 379.589 3.831 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC12CC([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC001205554151 1033466065 /nfs/dbraw/zinc/46/60/65/1033466065.db2.gz AKSNLTJUAPPELB-XTNNAYBXSA-N 2 1 377.573 3.819 20 0 GHADMP c1cc2cc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc2[nH]1 ZINC001205587962 1033480972 /nfs/dbraw/zinc/48/09/72/1033480972.db2.gz MKWVHQRWBUJJSO-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(I)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205662659 1033517933 /nfs/dbraw/zinc/51/79/33/1033517933.db2.gz CXJLIHWIROTWQJ-RYUDHWBXSA-N 2 1 392.712 3.751 20 0 GHADMP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC001205704869 1033539642 /nfs/dbraw/zinc/53/96/42/1033539642.db2.gz GOSAQQRUEWZRHA-UHFFFAOYSA-N 2 1 377.492 3.950 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001157556795 1033658735 /nfs/dbraw/zinc/65/87/35/1033658735.db2.gz GLJNYYHHSQRBJO-JOCHJYFZSA-N 2 1 389.559 3.905 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001157556795 1033658745 /nfs/dbraw/zinc/65/87/45/1033658745.db2.gz GLJNYYHHSQRBJO-JOCHJYFZSA-N 2 1 389.559 3.905 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(I)c2)CCC[C@H]1C[NH3+] ZINC001206021641 1033690919 /nfs/dbraw/zinc/69/09/19/1033690919.db2.gz ANXFTUDVFVPJBG-AAEUAGOBSA-N 2 1 392.712 3.751 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206022737 1033691917 /nfs/dbraw/zinc/69/19/17/1033691917.db2.gz CNSCJOWLAFSPTP-GHMZBOCLSA-N 2 1 380.252 3.670 20 0 GHADMP Cc1nc2c(c(O[C@@H]3CCC[N@@H+](C(C)C)C3)n1)C[NH+](Cc1ccccc1)CC2 ZINC001229847662 1033750458 /nfs/dbraw/zinc/75/04/58/1033750458.db2.gz ZCWIHTABQNPREW-HXUWFJFHSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(O[C@@H]3CCC[N@H+](C(C)C)C3)n1)C[NH+](Cc1ccccc1)CC2 ZINC001229847662 1033750479 /nfs/dbraw/zinc/75/04/79/1033750479.db2.gz ZCWIHTABQNPREW-HXUWFJFHSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(O[C@@H]3CCC[NH+](C(C)C)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229847662 1033750500 /nfs/dbraw/zinc/75/05/00/1033750500.db2.gz ZCWIHTABQNPREW-HXUWFJFHSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(O[C@@H]3CCC[NH+](C(C)C)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229847662 1033750514 /nfs/dbraw/zinc/75/05/14/1033750514.db2.gz ZCWIHTABQNPREW-HXUWFJFHSA-N 2 1 380.536 3.595 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001206321807 1033794858 /nfs/dbraw/zinc/79/48/58/1033794858.db2.gz WWKHLBFKQNBXFS-FTBPSBKWSA-N 2 1 378.560 3.918 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001206321807 1033794869 /nfs/dbraw/zinc/79/48/69/1033794869.db2.gz WWKHLBFKQNBXFS-FTBPSBKWSA-N 2 1 378.560 3.918 20 0 GHADMP CC(C)N(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)[C@@H]1CC[NH2+]C1 ZINC001158033182 1033873323 /nfs/dbraw/zinc/87/33/23/1033873323.db2.gz RIMTZBSONDDSQY-MRXNPFEDSA-N 2 1 399.608 3.743 20 0 GHADMP CC(C)n1c2ccccc2c(-c2ccc(F)cc2)c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530808 1033894679 /nfs/dbraw/zinc/89/46/79/1033894679.db2.gz PTDUXEKATFZZLD-JTSKRJEESA-N 2 1 381.495 3.780 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1 ZINC001206599546 1033920651 /nfs/dbraw/zinc/92/06/51/1033920651.db2.gz URHGTBRMZBPZPB-KRWDZBQOSA-N 2 1 383.330 3.588 20 0 GHADMP CCCOc1ccc(-c2ccc(-c3noc([C@@H]([NH3+])CSCC[NH3+])n3)cc2)cc1 ZINC001206629786 1033930582 /nfs/dbraw/zinc/93/05/82/1033930582.db2.gz BPHHPSKTLYXTSQ-IBGZPJMESA-N 2 1 398.532 3.884 20 0 GHADMP CCN(c1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21)[C@H]1CCC[NH2+]C1 ZINC001158205673 1033963110 /nfs/dbraw/zinc/96/31/10/1033963110.db2.gz VMAQKTLFLYOWND-INIZCTEOSA-N 2 1 375.586 3.728 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2[nH]nc3ccc(Br)cc32)CC1 ZINC001206749327 1033967325 /nfs/dbraw/zinc/96/73/25/1033967325.db2.gz FVOSPZJJJNAUEH-UHFFFAOYSA-N 2 1 399.336 3.818 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2n[nH]c3ccc(Br)cc32)CC1 ZINC001206749327 1033967332 /nfs/dbraw/zinc/96/73/32/1033967332.db2.gz FVOSPZJJJNAUEH-UHFFFAOYSA-N 2 1 399.336 3.818 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001206763193 1033975137 /nfs/dbraw/zinc/97/51/37/1033975137.db2.gz WTJSDMXQABOSDE-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC001206811436 1033993264 /nfs/dbraw/zinc/99/32/64/1033993264.db2.gz UPINBEHPICVNCE-HKUYNNGSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC001206811436 1033993273 /nfs/dbraw/zinc/99/32/73/1033993273.db2.gz UPINBEHPICVNCE-HKUYNNGSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2ccnc(Cl)c2F)c1 ZINC001158320955 1034021901 /nfs/dbraw/zinc/02/19/01/1034021901.db2.gz VGEICCBEGVZAMU-UHFFFAOYSA-N 2 1 386.805 3.586 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207092304 1034087117 /nfs/dbraw/zinc/08/71/17/1034087117.db2.gz DHSUYSNPFDYGNJ-KNQAVFIVSA-N 2 1 380.532 3.906 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001207185972 1034156533 /nfs/dbraw/zinc/15/65/33/1034156533.db2.gz RNKWCBCXIKRFIB-UHFFFAOYSA-N 2 1 391.600 3.974 20 0 GHADMP O=C(c1cccc([C@H]2CCC[NH2+]2)c1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158566729 1034158495 /nfs/dbraw/zinc/15/84/95/1034158495.db2.gz DMKYLJSBNHWQCK-SMIHKQSGSA-N 2 1 389.543 3.848 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207245120 1034208666 /nfs/dbraw/zinc/20/86/66/1034208666.db2.gz RNCGQTYOUPZMQT-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207245120 1034208684 /nfs/dbraw/zinc/20/86/84/1034208684.db2.gz RNCGQTYOUPZMQT-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207245120 1034208702 /nfs/dbraw/zinc/20/87/02/1034208702.db2.gz RNCGQTYOUPZMQT-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CCOC[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2cnn(CC)c21 ZINC001207289916 1034240758 /nfs/dbraw/zinc/24/07/58/1034240758.db2.gz ZEDGLRWVRWLFDP-HSZRJFAPSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001207289542 1034240957 /nfs/dbraw/zinc/24/09/57/1034240957.db2.gz QVQHFSUUVPRVES-FCHUYYIVSA-N 2 1 399.579 3.840 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)ncn1 ZINC001207292966 1034245753 /nfs/dbraw/zinc/24/57/53/1034245753.db2.gz DGNHEPXLNVYQLJ-JOCHJYFZSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001230859242 1034255920 /nfs/dbraw/zinc/25/59/20/1034255920.db2.gz UUVWBBSNFWHFIR-NNWRFLSQSA-N 2 1 388.600 3.545 20 0 GHADMP Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001230859242 1034255933 /nfs/dbraw/zinc/25/59/33/1034255933.db2.gz UUVWBBSNFWHFIR-NNWRFLSQSA-N 2 1 388.600 3.545 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001230887469 1034272813 /nfs/dbraw/zinc/27/28/13/1034272813.db2.gz ZFFHISCPZSGZPK-SESVDKBCSA-N 2 1 386.584 3.726 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001230887469 1034272827 /nfs/dbraw/zinc/27/28/27/1034272827.db2.gz ZFFHISCPZSGZPK-SESVDKBCSA-N 2 1 386.584 3.726 20 0 GHADMP C[NH+]1CCC(C[N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001207395212 1034340087 /nfs/dbraw/zinc/34/00/87/1034340087.db2.gz QXVIOMKLHRXZOS-SFTDATJTSA-N 2 1 385.552 3.547 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001207474905 1034386138 /nfs/dbraw/zinc/38/61/38/1034386138.db2.gz ZDXFMGTXVZEKSB-HXUWFJFHSA-N 2 1 384.520 3.586 20 0 GHADMP Fc1ccccc1CCCN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001207494657 1034399381 /nfs/dbraw/zinc/39/93/81/1034399381.db2.gz BBTDTRBHKIHHQC-GPXNEJASSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1ccccc1CCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001207494657 1034399399 /nfs/dbraw/zinc/39/93/99/1034399399.db2.gz BBTDTRBHKIHHQC-GPXNEJASSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1ccccc1CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001207494657 1034399411 /nfs/dbraw/zinc/39/94/11/1034399411.db2.gz BBTDTRBHKIHHQC-GPXNEJASSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1ccccc1CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001207494657 1034399426 /nfs/dbraw/zinc/39/94/26/1034399426.db2.gz BBTDTRBHKIHHQC-GPXNEJASSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1ccccc1CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001207494657 1034399442 /nfs/dbraw/zinc/39/94/42/1034399442.db2.gz BBTDTRBHKIHHQC-GPXNEJASSA-N 2 1 396.554 3.830 20 0 GHADMP Clc1ccc(CCC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207598030 1034474364 /nfs/dbraw/zinc/47/43/64/1034474364.db2.gz BJBRDNMXTYPUCT-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620255 1034491936 /nfs/dbraw/zinc/49/19/36/1034491936.db2.gz LDPKBATYYXLLLQ-YRPNKDGESA-N 2 1 387.593 3.658 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418326 1034568673 /nfs/dbraw/zinc/56/86/73/1034568673.db2.gz QTNURBLZEAIGGT-LEWJYISDSA-N 2 1 394.515 3.523 20 0 GHADMP COC(=O)c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418326 1034568678 /nfs/dbraw/zinc/56/86/78/1034568678.db2.gz QTNURBLZEAIGGT-LEWJYISDSA-N 2 1 394.515 3.523 20 0 GHADMP COC(=O)c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1O ZINC001231418326 1034568688 /nfs/dbraw/zinc/56/86/88/1034568688.db2.gz QTNURBLZEAIGGT-LEWJYISDSA-N 2 1 394.515 3.523 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c[nH]c5cnccc45)CC3)C2)cc1 ZINC001231517849 1034668771 /nfs/dbraw/zinc/66/87/71/1034668771.db2.gz IDEFARQWVHZYKX-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC[C@H](C)SC)CC2 ZINC001208143607 1034753724 /nfs/dbraw/zinc/75/37/24/1034753724.db2.gz SMRFIPRDQMZECE-AZUAARDMSA-N 2 1 377.598 3.526 20 0 GHADMP Clc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)ccc1N1CC[NH2+]CC1 ZINC001159858864 1034765939 /nfs/dbraw/zinc/76/59/39/1034765939.db2.gz NVPZYZSICYHQAN-UHFFFAOYSA-N 2 1 382.939 3.951 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ccn1 ZINC001208192220 1034788356 /nfs/dbraw/zinc/78/83/56/1034788356.db2.gz NJNSQDFNBPOREK-UHFFFAOYSA-N 2 1 375.561 3.508 20 0 GHADMP Fc1cccc(O[C@@H]2CC[NH2+]C2)c1Nc1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001160129573 1034874316 /nfs/dbraw/zinc/87/43/16/1034874316.db2.gz IAQNQDCSQZHITR-LJQANCHMSA-N 2 1 397.494 3.631 20 0 GHADMP Fc1cccc(OC2CC[NH2+]CC2)c1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001160149835 1034879481 /nfs/dbraw/zinc/87/94/81/1034879481.db2.gz YBNCBJACWLAOQO-UHFFFAOYSA-N 2 1 399.510 3.575 20 0 GHADMP C[NH+]1CCC(CN2CC[NH+](Cc3ccccc3-c3ccc(F)cc3)CC2)CC1 ZINC001231825672 1034930862 /nfs/dbraw/zinc/93/08/62/1034930862.db2.gz WHDHTECJBROLQJ-UHFFFAOYSA-N 2 1 381.539 3.952 20 0 GHADMP C1=C2CCC[N@H+](C[C@H]3COC4(CCCCC4)O3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[NH+]1C2 ZINC001208641603 1034965120 /nfs/dbraw/zinc/96/51/20/1034965120.db2.gz MOXWBBPTWGPWTF-JFDBCFPISA-N 2 1 386.580 3.957 20 0 GHADMP C1=C2CCC[NH+](C[C@H]3COC4(CCCCC4)O3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001208641603 1034965125 /nfs/dbraw/zinc/96/51/25/1034965125.db2.gz MOXWBBPTWGPWTF-JFDBCFPISA-N 2 1 386.580 3.957 20 0 GHADMP C1=C2CCC[NH+](C[C@H]3COC4(CCCCC4)O3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@@H+]1C2 ZINC001208641603 1034965129 /nfs/dbraw/zinc/96/51/29/1034965129.db2.gz MOXWBBPTWGPWTF-JFDBCFPISA-N 2 1 386.580 3.957 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231908146 1034983427 /nfs/dbraw/zinc/98/34/27/1034983427.db2.gz YVGQZNHOJGSMBI-LJQANCHMSA-N 2 1 396.560 3.880 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CCOCCOCc4ccccc4)C[C@@H]3C2)cc1 ZINC001208742376 1034994313 /nfs/dbraw/zinc/99/43/13/1034994313.db2.gz BEEAOWSZWNKKPH-PLQXJYEYSA-N 2 1 394.559 3.592 20 0 GHADMP [NH3+]C[C@@]1(Nc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)C[NH+]2CCC1CC2 ZINC001160521078 1034994310 /nfs/dbraw/zinc/99/43/10/1034994310.db2.gz VMWDMEMVKMPFPW-XMMPIXPASA-N 2 1 385.515 3.646 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](CCOCCOCc4ccccc4)C[C@@H]3C2)cc1 ZINC001208742376 1034994320 /nfs/dbraw/zinc/99/43/20/1034994320.db2.gz BEEAOWSZWNKKPH-PLQXJYEYSA-N 2 1 394.559 3.592 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](CCOCCOCc4ccccc4)C[C@@H]3C2)cc1 ZINC001208742376 1034994321 /nfs/dbraw/zinc/99/43/21/1034994321.db2.gz BEEAOWSZWNKKPH-PLQXJYEYSA-N 2 1 394.559 3.592 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CCOCCOCc4ccccc4)C[C@@H]3C2)cc1 ZINC001208742376 1034994327 /nfs/dbraw/zinc/99/43/27/1034994327.db2.gz BEEAOWSZWNKKPH-PLQXJYEYSA-N 2 1 394.559 3.592 20 0 GHADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001231971633 1035016862 /nfs/dbraw/zinc/01/68/62/1035016862.db2.gz WQPBWTPMGMNLMJ-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001231971633 1035016866 /nfs/dbraw/zinc/01/68/66/1035016866.db2.gz WQPBWTPMGMNLMJ-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2c1cccc2C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001231971633 1035016873 /nfs/dbraw/zinc/01/68/73/1035016873.db2.gz WQPBWTPMGMNLMJ-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)[nH]c2cc[nH+]cc12 ZINC001232013725 1035044863 /nfs/dbraw/zinc/04/48/63/1035044863.db2.gz SXYAZDUIESAJHY-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP FC(F)(F)[C@@H]1C[NH2+]CC[C@@H]1Nc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001160735325 1035048819 /nfs/dbraw/zinc/04/88/19/1035048819.db2.gz DOOVETCHYXGBGU-MJGOQNOKSA-N 2 1 390.453 3.592 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160738841 1035050643 /nfs/dbraw/zinc/05/06/43/1035050643.db2.gz KVHKAVYLAUJVDK-HZPDHXFCSA-N 2 1 393.388 3.571 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933290 1035097482 /nfs/dbraw/zinc/09/74/82/1035097482.db2.gz CVOBMQDGJPUETI-JOCHJYFZSA-N 2 1 378.564 3.841 20 0 GHADMP COC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938465 1035107107 /nfs/dbraw/zinc/10/71/07/1035107107.db2.gz ZYGFXLQPBDPJGS-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP COC(=O)CC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938465 1035107112 /nfs/dbraw/zinc/10/71/12/1035107112.db2.gz ZYGFXLQPBDPJGS-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP COC(=O)CC[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938465 1035107117 /nfs/dbraw/zinc/10/71/17/1035107117.db2.gz ZYGFXLQPBDPJGS-HSZRJFAPSA-N 2 1 380.532 3.964 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942728 1035113717 /nfs/dbraw/zinc/11/37/17/1035113717.db2.gz RIEVEDYBVJANEW-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942728 1035113722 /nfs/dbraw/zinc/11/37/22/1035113722.db2.gz RIEVEDYBVJANEW-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942728 1035113726 /nfs/dbraw/zinc/11/37/26/1035113726.db2.gz RIEVEDYBVJANEW-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947108 1035117796 /nfs/dbraw/zinc/11/77/96/1035117796.db2.gz YZWBFBZMHAETHG-FGZHOGPDSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947108 1035117798 /nfs/dbraw/zinc/11/77/98/1035117798.db2.gz YZWBFBZMHAETHG-FGZHOGPDSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947108 1035117804 /nfs/dbraw/zinc/11/78/04/1035117804.db2.gz YZWBFBZMHAETHG-FGZHOGPDSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947108 1035117813 /nfs/dbraw/zinc/11/78/13/1035117813.db2.gz YZWBFBZMHAETHG-FGZHOGPDSA-N 2 1 395.547 3.846 20 0 GHADMP [NH3+]CC1(CC(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CCCCC1 ZINC001161056171 1035127377 /nfs/dbraw/zinc/12/73/77/1035127377.db2.gz JFYVSMQQSJKRKV-QFIPXVFZSA-N 2 1 383.580 3.941 20 0 GHADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161058613 1035128443 /nfs/dbraw/zinc/12/84/43/1035128443.db2.gz ZJUHPZFBKTUKOO-FQEVSTJZSA-N 2 1 395.572 3.663 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001208973583 1035135846 /nfs/dbraw/zinc/13/58/46/1035135846.db2.gz KVBXTKAJLAZJTO-HSZRJFAPSA-N 2 1 383.580 3.623 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359095 1035252540 /nfs/dbraw/zinc/25/25/40/1035252540.db2.gz RZKVUIFSQOTCKI-FQEVSTJZSA-N 2 1 397.604 3.647 20 0 GHADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359095 1035252542 /nfs/dbraw/zinc/25/25/42/1035252542.db2.gz RZKVUIFSQOTCKI-FQEVSTJZSA-N 2 1 397.604 3.647 20 0 GHADMP COC1CCC(C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001209390645 1035266497 /nfs/dbraw/zinc/26/64/97/1035266497.db2.gz ABDMHYYIRKEMOU-DQVLVPHSSA-N 2 1 393.522 3.820 20 0 GHADMP COC1CCC(C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001209390645 1035266502 /nfs/dbraw/zinc/26/65/02/1035266502.db2.gz ABDMHYYIRKEMOU-DQVLVPHSSA-N 2 1 393.522 3.820 20 0 GHADMP COC1CCC(C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001209390645 1035266506 /nfs/dbraw/zinc/26/65/06/1035266506.db2.gz ABDMHYYIRKEMOU-DQVLVPHSSA-N 2 1 393.522 3.820 20 0 GHADMP COC1CCC(C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001209390645 1035266511 /nfs/dbraw/zinc/26/65/11/1035266511.db2.gz ABDMHYYIRKEMOU-DQVLVPHSSA-N 2 1 393.522 3.820 20 0 GHADMP CC[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468381 1035283291 /nfs/dbraw/zinc/28/32/91/1035283291.db2.gz MAHWRQUUCKNJFX-WOJBJXKFSA-N 2 1 375.557 3.744 20 0 GHADMP CC[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468381 1035283297 /nfs/dbraw/zinc/28/32/97/1035283297.db2.gz MAHWRQUUCKNJFX-WOJBJXKFSA-N 2 1 375.557 3.744 20 0 GHADMP CC[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468381 1035283302 /nfs/dbraw/zinc/28/33/02/1035283302.db2.gz MAHWRQUUCKNJFX-WOJBJXKFSA-N 2 1 375.557 3.744 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598691 1035324987 /nfs/dbraw/zinc/32/49/87/1035324987.db2.gz KXTARSSSFJRUBJ-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP O=C(Nc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1)NC1CC[NH2+]CC1 ZINC001241507555 1035598213 /nfs/dbraw/zinc/59/82/13/1035598213.db2.gz YVDXRUFOINEMLT-UHFFFAOYSA-N 2 1 390.531 3.849 20 0 GHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]([NH3+])CCC3CCCCC3)n2)CC1 ZINC001248243958 1035689172 /nfs/dbraw/zinc/68/91/72/1035689172.db2.gz UTDRVSNIFOYTHK-IBGZPJMESA-N 2 1 383.540 3.849 20 0 GHADMP CC(C)(C)[C@@]1(CN2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462017565 1069948195 /nfs/dbraw/zinc/94/81/95/1069948195.db2.gz IBNDOQFPGPIZTO-UKILVPOCSA-N 2 1 399.623 3.721 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC001248628132 1036006076 /nfs/dbraw/zinc/00/60/76/1036006076.db2.gz CGJCQZBRUIXZMK-IBGZPJMESA-N 2 1 397.007 3.952 20 0 GHADMP Fc1cc(-c2noc(C3CCC4(C[NH2+]C4)CC3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001248714109 1036076297 /nfs/dbraw/zinc/07/62/97/1036076297.db2.gz GODHHYVHJAQVMI-LJQANCHMSA-N 2 1 393.466 3.855 20 0 GHADMP Cc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(COC2CC[NH2+]CC2)cc1 ZINC001245408702 1036911581 /nfs/dbraw/zinc/91/15/81/1036911581.db2.gz CTXQTGSANWLORF-UHFFFAOYSA-N 2 1 380.532 3.763 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246023110 1037141098 /nfs/dbraw/zinc/14/10/98/1037141098.db2.gz LRRQKMBSHNHFNW-FGZHOGPDSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246023110 1037141114 /nfs/dbraw/zinc/14/11/14/1037141114.db2.gz LRRQKMBSHNHFNW-FGZHOGPDSA-N 2 1 394.987 3.504 20 0 GHADMP C[C@](O)(C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246023538 1037141636 /nfs/dbraw/zinc/14/16/36/1037141636.db2.gz CUVZDANIQFWQDX-RPWUZVMVSA-N 2 1 394.559 3.698 20 0 GHADMP CC(C)[N@@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]CC1 ZINC001246025933 1037143387 /nfs/dbraw/zinc/14/33/87/1037143387.db2.gz YJTFIIKKDUQQOD-MOPGFXCFSA-N 2 1 395.547 3.913 20 0 GHADMP CC(C)[N@@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)[C@H]1CCC[NH2+]CC1 ZINC001246025935 1037144175 /nfs/dbraw/zinc/14/41/75/1037144175.db2.gz YJTFIIKKDUQQOD-OALUTQOASA-N 2 1 395.547 3.913 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c2ccccc12 ZINC001246196429 1037234205 /nfs/dbraw/zinc/23/42/05/1037234205.db2.gz FSFYTYSQAYRZSC-KSEOMHKRSA-N 2 1 391.515 3.740 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](NC[C@H]4CC[NH2+]4)C[C@@H]23)cc1 ZINC001246199111 1037235113 /nfs/dbraw/zinc/23/51/13/1037235113.db2.gz IPOGWAJDFGSCTI-ZGFBMJKBSA-N 2 1 375.560 3.703 20 0 GHADMP O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246207492 1037238470 /nfs/dbraw/zinc/23/84/70/1037238470.db2.gz AOWBSRZRMNGCAM-GIFXNVAJSA-N 2 1 392.543 3.853 20 0 GHADMP [NH3+]C1(CN[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001246211434 1037240422 /nfs/dbraw/zinc/24/04/22/1037240422.db2.gz RDMGKROULNVDFI-JBRSBNLGSA-N 2 1 375.560 3.832 20 0 GHADMP COC[C@H]([NH3+])C[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246240907 1037249745 /nfs/dbraw/zinc/24/97/45/1037249745.db2.gz PBRYACQHZZQYMJ-ZKMFCFPVSA-N 3 1 381.564 3.563 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC[NH2+]1 ZINC001246271092 1037266255 /nfs/dbraw/zinc/26/62/55/1037266255.db2.gz DXRVGVJVKLYPCB-VABKMULXSA-N 2 1 385.596 3.947 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](NC[C@@H]2Cc4ccccc4C[NH2+]2)C3)cc1 ZINC001246276651 1037272985 /nfs/dbraw/zinc/27/29/85/1037272985.db2.gz DTIMIIAORRTZQK-JBXUNAHCSA-N 2 1 375.560 3.876 20 0 GHADMP COCC[N@@H+](Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)[C@@H]1CC[C@H](C)C1 ZINC001462176201 1070054682 /nfs/dbraw/zinc/05/46/82/1070054682.db2.gz MKGMQNZLGSGZCI-WMLDXEAASA-N 2 1 384.467 3.707 20 0 GHADMP [NH3+][C@@H](Cc1cn([C@H]2CCCC[NH2+]C2)c2ccccc12)C(=O)OCc1ccccc1 ZINC001246312291 1037290036 /nfs/dbraw/zinc/29/00/36/1037290036.db2.gz NMPLIVICMNLJDG-UNMCSNQZSA-N 2 1 391.515 3.569 20 0 GHADMP CCCC[C@@H]([NH3+])Cc1cn([C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)c2ccccc12 ZINC001246331207 1037298237 /nfs/dbraw/zinc/29/82/37/1037298237.db2.gz DTDGOOBPUVVPNR-GGPKGHCWSA-N 2 1 385.552 3.946 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn(C2CCC3(C[NH2+]C3)CC2)c2ccccc12 ZINC001246354504 1037313128 /nfs/dbraw/zinc/31/31/28/1037313128.db2.gz MFUBJUANJFLUEI-IBGZPJMESA-N 2 1 383.536 3.558 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360009 1037320150 /nfs/dbraw/zinc/32/01/50/1037320150.db2.gz DKNHDLLBTRXZFV-HFMPRLQTSA-N 2 1 397.538 3.800 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360009 1037320176 /nfs/dbraw/zinc/32/01/76/1037320176.db2.gz DKNHDLLBTRXZFV-HFMPRLQTSA-N 2 1 397.538 3.800 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)c1 ZINC001246372047 1037329081 /nfs/dbraw/zinc/32/90/81/1037329081.db2.gz BUOGXMYREMMQMC-IFMALSPDSA-N 2 1 384.495 3.823 20 0 GHADMP COc1cccc(CC2(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246382193 1037342801 /nfs/dbraw/zinc/34/28/01/1037342801.db2.gz ZELIIBJNPNRWSZ-ISKFKSNPSA-N 3 1 393.575 3.690 20 0 GHADMP COc1cccc(C2(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246414875 1037369786 /nfs/dbraw/zinc/36/97/86/1037369786.db2.gz JVRCQYVVTLLTSM-DENIHFKCSA-N 2 1 379.548 3.527 20 0 GHADMP CC(C)[C@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246435731 1037397509 /nfs/dbraw/zinc/39/75/09/1037397509.db2.gz KPACELIGBBKKEH-RBUKOAKNSA-N 3 1 383.502 3.818 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]CCCC[C@H](N)C(=O)SCc1ccccc1 ZINC001246494199 1037438507 /nfs/dbraw/zinc/43/85/07/1037438507.db2.gz XOOOXNWLHDUJRC-QUCCMNQESA-N 2 1 379.614 3.654 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC[NH2+]1 ZINC001246494415 1037438990 /nfs/dbraw/zinc/43/89/90/1037438990.db2.gz YQPSSHUVSKXZPL-NJYVYQBISA-N 2 1 391.625 3.844 20 0 GHADMP COC(=O)c1ccc([C@@H]([NH3+])CN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001246526353 1037457682 /nfs/dbraw/zinc/45/76/82/1037457682.db2.gz PTAYNJUAVXJIBB-YADHBBJMSA-N 2 1 395.547 3.506 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N4CC[NH2+]CC4)C[C@@H]23)cc1 ZINC001246532397 1037468254 /nfs/dbraw/zinc/46/82/54/1037468254.db2.gz ZNFVCUXJVKGYIU-UBFVSLLYSA-N 2 1 375.560 3.657 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCN[C@@H](c3ccccc3)C1)CC2 ZINC001246585806 1037488810 /nfs/dbraw/zinc/48/88/10/1037488810.db2.gz JQSJPVDXNFGTOW-DHIUTWEWSA-N 2 1 378.516 3.644 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC001246585806 1037488862 /nfs/dbraw/zinc/48/88/62/1037488862.db2.gz JQSJPVDXNFGTOW-DHIUTWEWSA-N 2 1 378.516 3.644 20 0 GHADMP CC1(C)C[C@H](N2CC[NH2+][C@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246598851 1037494925 /nfs/dbraw/zinc/49/49/25/1037494925.db2.gz IZCHZQJQEKRDOR-DNQXCXABSA-N 2 1 377.576 3.946 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CC1 ZINC001246595510 1037495669 /nfs/dbraw/zinc/49/56/69/1037495669.db2.gz ZYMIPFOBPBPWKZ-FIZWLOMBSA-N 2 1 378.944 3.753 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599112 1037496781 /nfs/dbraw/zinc/49/67/81/1037496781.db2.gz AQXYDGDKIXYYFR-UPVQGACJSA-N 2 1 383.580 3.927 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H](C)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC001246604927 1037499108 /nfs/dbraw/zinc/49/91/08/1037499108.db2.gz SDVVZYQUNSKWCU-QAPCUYQASA-N 2 1 398.469 3.644 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H](C)CSc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC001246609338 1037501049 /nfs/dbraw/zinc/50/10/49/1037501049.db2.gz LMODDGDQCPFPOL-YJBOKZPZSA-N 2 1 396.984 3.828 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001246632823 1037521459 /nfs/dbraw/zinc/52/14/59/1037521459.db2.gz ZPIMUBHRWWPIBB-LJQANCHMSA-N 2 1 398.497 3.968 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001246632823 1037521479 /nfs/dbraw/zinc/52/14/79/1037521479.db2.gz ZPIMUBHRWWPIBB-LJQANCHMSA-N 2 1 398.497 3.968 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)CC2)cc1 ZINC001246653408 1037529590 /nfs/dbraw/zinc/52/95/90/1037529590.db2.gz DLOIQPWMDFLXHR-DJANBRAMSA-N 2 1 396.453 3.722 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246656215 1037531773 /nfs/dbraw/zinc/53/17/73/1037531773.db2.gz MYFIDFILTOYBFI-ZENOOKHLSA-N 2 1 379.253 3.934 20 0 GHADMP c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2C2CCC3(CCC[NH2+]C3)CC2)c1 ZINC001246695658 1037553769 /nfs/dbraw/zinc/55/37/69/1037553769.db2.gz DDYQXRPFVDKBBN-XZZNXKJUSA-N 2 1 383.580 3.806 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@H+](C1C[C@@H](C)[NH2+][C@H](C)C1)CC2 ZINC001246700982 1037554783 /nfs/dbraw/zinc/55/47/83/1037554783.db2.gz MHNIXIJHIAAHDH-HUUCEWRRSA-N 2 1 399.560 3.526 20 0 GHADMP CCCC[C@@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702407 1037555536 /nfs/dbraw/zinc/55/55/36/1037555536.db2.gz OKFCVXDTQCOLPE-WOJBJXKFSA-N 2 1 391.625 3.726 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+](C2CCC4(CC[NH2+]CC4)CC2)C3)nc1 ZINC001246713131 1037563843 /nfs/dbraw/zinc/56/38/43/1037563843.db2.gz XTYLBVXNGKIWTG-ZJSXRUAMSA-N 2 1 399.579 3.644 20 0 GHADMP CC[C@H]1C[C@H]([NH+]2CCC3(CC[NH+](Cc4cccc(OC)c4)CC3)CC2)CC[NH2+]1 ZINC001246713910 1037564028 /nfs/dbraw/zinc/56/40/28/1037564028.db2.gz KXDCVGZUABOTDS-FCHUYYIVSA-N 3 1 385.596 3.904 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC[NH2+]1 ZINC001246726685 1037575252 /nfs/dbraw/zinc/57/52/52/1037575252.db2.gz ASFVMZAYQSNQIH-HKUYNNGSSA-N 2 1 398.576 3.573 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC[NH2+]1 ZINC001246726685 1037575269 /nfs/dbraw/zinc/57/52/69/1037575269.db2.gz ASFVMZAYQSNQIH-HKUYNNGSSA-N 2 1 398.576 3.573 20 0 GHADMP CC[C@@H]1CC([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246736742 1037579886 /nfs/dbraw/zinc/57/98/86/1037579886.db2.gz JBYYWBHOUWKZDE-NJDAHSKKSA-N 2 1 378.601 3.841 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246748650 1037588652 /nfs/dbraw/zinc/58/86/52/1037588652.db2.gz BXXPCYDSQUFRLR-QFIPXVFZSA-N 2 1 387.593 3.879 20 0 GHADMP Cc1cccc(N2C[C@@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)c1 ZINC001246750149 1037590328 /nfs/dbraw/zinc/59/03/28/1037590328.db2.gz SVUKTNASVVPIFF-GGAORHGYSA-N 2 1 381.564 3.879 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753319 1037592734 /nfs/dbraw/zinc/59/27/34/1037592734.db2.gz KMXRWFOOYYMHGF-JKBKZWBZSA-N 2 1 378.564 3.825 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](C4CCC5(CC[NH2+]CC5)CC4)CC3)C2)cc1 ZINC001246754630 1037596606 /nfs/dbraw/zinc/59/66/06/1037596606.db2.gz FSGYQRGGONJETO-UHFFFAOYSA-N 2 1 397.607 3.666 20 0 GHADMP c1ccc(CN2CCOC3(CC[NH+](C4CCC5(CC[NH2+]CC5)CC4)CC3)C2)cc1 ZINC001246754630 1037596624 /nfs/dbraw/zinc/59/66/24/1037596624.db2.gz FSGYQRGGONJETO-UHFFFAOYSA-N 2 1 397.607 3.666 20 0 GHADMP c1cncc(OC[C@@H]2CCC[C@@]23C[N@@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)c1 ZINC001246761547 1037604864 /nfs/dbraw/zinc/60/48/64/1037604864.db2.gz VCYSPDZGNULSHK-AWRGLXIESA-N 2 1 399.579 3.786 20 0 GHADMP c1cncc(OC[C@@H]2CCC[C@@]23C[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)c1 ZINC001246761547 1037604882 /nfs/dbraw/zinc/60/48/82/1037604882.db2.gz VCYSPDZGNULSHK-AWRGLXIESA-N 2 1 399.579 3.786 20 0 GHADMP CCCCOC(=O)CC[C@H](C)[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001246770483 1037613507 /nfs/dbraw/zinc/61/35/07/1037613507.db2.gz KJUYLNHMBTUSCH-SFHVURJKSA-N 2 1 390.572 3.633 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)CC2=O)cc1 ZINC001246776100 1037618972 /nfs/dbraw/zinc/61/89/72/1037618972.db2.gz IBTJYIKHKYMEOF-DEOSSOPVSA-N 2 1 381.564 3.736 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)C[C@H](CC)[NH2+]1 ZINC001246782433 1037621524 /nfs/dbraw/zinc/62/15/24/1037621524.db2.gz ZXCYOLKFZLHCIB-ZBNTXBBCSA-N 2 1 383.580 3.942 20 0 GHADMP Clc1ccc2nc(N3CCC[N@H+]([C@H]4CCC5(C[NH2+]C5)C4)CC3)sc2c1 ZINC001246826154 1037657597 /nfs/dbraw/zinc/65/75/97/1037657597.db2.gz XGCDFMSPVYOZCQ-HNNXBMFYSA-N 2 1 376.957 3.604 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)c1 ZINC001246838098 1037666456 /nfs/dbraw/zinc/66/64/56/1037666456.db2.gz AYCUNPCVLMIQNG-URXFXBBRSA-N 2 1 397.538 3.754 20 0 GHADMP c1ccc(CN2CC[C@@H]([N@@H+](Cc3ccccc3)[C@H]3CSC4(C[NH2+]C4)C3)C2)cc1 ZINC001246838937 1037666703 /nfs/dbraw/zinc/66/67/03/1037666703.db2.gz KMJYQJBFMHPBPR-DHIUTWEWSA-N 2 1 393.600 3.611 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246872209 1037689217 /nfs/dbraw/zinc/68/92/17/1037689217.db2.gz GECCCEBJIJSHES-SCWSEQNSSA-N 2 1 385.349 3.853 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246872209 1037689229 /nfs/dbraw/zinc/68/92/29/1037689229.db2.gz GECCCEBJIJSHES-SCWSEQNSSA-N 2 1 385.349 3.853 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C1)C2 ZINC001246882150 1037696233 /nfs/dbraw/zinc/69/62/33/1037696233.db2.gz XBOWYRHMFVZVRS-CDPNLFKUSA-N 2 1 382.548 3.504 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](C3C[C@H](CC)[NH2+][C@@H](CC)C3)C1)C2 ZINC001246882138 1037697147 /nfs/dbraw/zinc/69/71/47/1037697147.db2.gz WVRSKXGGFMXIKY-KCOOYEKVSA-N 2 1 384.564 3.891 20 0 GHADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001246908921 1037716967 /nfs/dbraw/zinc/71/69/67/1037716967.db2.gz ZXGQPUNWUJAQOK-VHYCJAOWSA-N 2 1 391.559 3.950 20 0 GHADMP CSc1nc(Cl)cc(N2CCC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)n1 ZINC001246910889 1037719134 /nfs/dbraw/zinc/71/91/34/1037719134.db2.gz LCFZXYYLGDVPLF-LSDHHAIUSA-N 2 1 398.020 3.531 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246913040 1037721807 /nfs/dbraw/zinc/72/18/07/1037721807.db2.gz JLXXTMBTQDLKPL-DSNGMDLFSA-N 2 1 377.576 3.946 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@H+]3C[C@H]4CN[C@H]4C3)CC2)cc1 ZINC001246925572 1037730470 /nfs/dbraw/zinc/73/04/70/1037730470.db2.gz PLRINVYPGWLQFG-OVVICAPSSA-N 2 1 375.560 3.904 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N3C[C@H]4C[NH2+][C@H]4C3)CC2)cc1 ZINC001246925572 1037730485 /nfs/dbraw/zinc/73/04/85/1037730485.db2.gz PLRINVYPGWLQFG-OVVICAPSSA-N 2 1 375.560 3.904 20 0 GHADMP CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246929844 1037732526 /nfs/dbraw/zinc/73/25/26/1037732526.db2.gz HATLRQBWEGCUOA-XZOQPEGZSA-N 2 1 391.559 3.820 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246929714 1037733152 /nfs/dbraw/zinc/73/31/52/1037733152.db2.gz GHXWOAZIYPUWMY-TZRRMPRUSA-N 2 1 391.559 3.820 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246934419 1037737343 /nfs/dbraw/zinc/73/73/43/1037737343.db2.gz IIBZAGSOCZUERV-GQLBNEHISA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246934419 1037737365 /nfs/dbraw/zinc/73/73/65/1037737365.db2.gz IIBZAGSOCZUERV-GQLBNEHISA-N 2 1 388.527 3.892 20 0 GHADMP Brc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(C[NH2+]C3)CC2)cc1 ZINC001246936800 1037741476 /nfs/dbraw/zinc/74/14/76/1037741476.db2.gz KDZQEPHZRUDGTG-UHFFFAOYSA-N 3 1 392.385 3.535 20 0 GHADMP Brc1ccc(C[N@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)cc1 ZINC001246936800 1037741492 /nfs/dbraw/zinc/74/14/92/1037741492.db2.gz KDZQEPHZRUDGTG-UHFFFAOYSA-N 2 1 392.385 3.535 20 0 GHADMP Brc1ccc(C[N@@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)cc1 ZINC001246936800 1037741519 /nfs/dbraw/zinc/74/15/19/1037741519.db2.gz KDZQEPHZRUDGTG-UHFFFAOYSA-N 2 1 392.385 3.535 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001246943988 1037748761 /nfs/dbraw/zinc/74/87/61/1037748761.db2.gz ADLZCFPKZAJIKO-RCTAOEEJSA-N 2 1 390.575 3.831 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246960180 1037780856 /nfs/dbraw/zinc/78/08/56/1037780856.db2.gz ALUCPBRESKLWBC-HXUWFJFHSA-N 2 1 391.531 3.699 20 0 GHADMP Fc1cccc(F)c1CN(C1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246966677 1037788911 /nfs/dbraw/zinc/78/89/11/1037788911.db2.gz WFLQXFBXMVOYNG-IBGZPJMESA-N 2 1 377.523 3.926 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+]([C@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C2)cc1 ZINC001246974901 1037799661 /nfs/dbraw/zinc/79/96/61/1037799661.db2.gz SOMROGPEJWKHOM-HIUFNZKISA-N 2 1 387.568 3.589 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246975653 1037800583 /nfs/dbraw/zinc/80/05/83/1037800583.db2.gz NABJWOBTXBEVPM-DWLFOUALSA-N 2 1 399.510 3.874 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246975653 1037800606 /nfs/dbraw/zinc/80/06/06/1037800606.db2.gz NABJWOBTXBEVPM-DWLFOUALSA-N 2 1 399.510 3.874 20 0 GHADMP CN1CCC([N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993636 1037816688 /nfs/dbraw/zinc/81/66/88/1037816688.db2.gz LPWSXVLXTYCZEN-IBGZPJMESA-N 2 1 396.406 3.999 20 0 GHADMP C[NH+]1CCC(N(C2CC[NH2+]CC2)[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993636 1037816715 /nfs/dbraw/zinc/81/67/15/1037816715.db2.gz LPWSXVLXTYCZEN-IBGZPJMESA-N 2 1 396.406 3.999 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+]([C@H]2CCC[NH2+]CC2)C3)cc1 ZINC001246996240 1037821128 /nfs/dbraw/zinc/82/11/28/1037821128.db2.gz RIGIGQQHUBOJRV-QHCPKHFHSA-N 2 1 375.560 3.926 20 0 GHADMP c1ccc(C(c2ccccc2)[NH+]2CC3(C2)CCN([C@H]2CCC[NH2+]CC2)C3)cc1 ZINC001246996240 1037821152 /nfs/dbraw/zinc/82/11/52/1037821152.db2.gz RIGIGQQHUBOJRV-QHCPKHFHSA-N 2 1 375.560 3.926 20 0 GHADMP CC1(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CCC([NH3+])CC1 ZINC001247637255 1038285209 /nfs/dbraw/zinc/28/52/09/1038285209.db2.gz VLFCCPSEQWTUQL-TUVDCLKLSA-N 2 1 381.455 3.767 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cc(OCc3ccc(F)cc3)ccc2F)no1 ZINC001247701726 1038339930 /nfs/dbraw/zinc/33/99/30/1038339930.db2.gz RUJWHCWBZSJYJI-GOSISDBHSA-N 2 1 388.418 3.723 20 0 GHADMP COc1ccc2c(cccc2-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904045 1038475249 /nfs/dbraw/zinc/47/52/49/1038475249.db2.gz CRDBXEPKPSFIMY-QGZVFWFLSA-N 2 1 392.503 3.830 20 0 GHADMP Clc1cc(Cl)cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909457 1038485689 /nfs/dbraw/zinc/48/56/89/1038485689.db2.gz NMCVKPXZSAJGAA-UHFFFAOYSA-N 2 1 381.307 3.975 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(C(C)(C)O)nc3)C[C@@H]21 ZINC001232830068 1038581880 /nfs/dbraw/zinc/58/18/80/1038581880.db2.gz UPAISJLOSXMYQC-FUDKSRODSA-N 2 1 379.548 3.920 20 0 GHADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(C(C)(C)O)nc3)C[C@@H]21 ZINC001232830068 1038581894 /nfs/dbraw/zinc/58/18/94/1038581894.db2.gz UPAISJLOSXMYQC-FUDKSRODSA-N 2 1 379.548 3.920 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(C(C)(C)O)nc3)C[C@@H]21 ZINC001232830068 1038581906 /nfs/dbraw/zinc/58/19/06/1038581906.db2.gz UPAISJLOSXMYQC-FUDKSRODSA-N 2 1 379.548 3.920 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)O)nc3)C[C@@H]21 ZINC001232830068 1038581920 /nfs/dbraw/zinc/58/19/20/1038581920.db2.gz UPAISJLOSXMYQC-FUDKSRODSA-N 2 1 379.548 3.920 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(C(C)(C)O)nc3)C[C@@H]21 ZINC001232830068 1038581934 /nfs/dbraw/zinc/58/19/34/1038581934.db2.gz UPAISJLOSXMYQC-FUDKSRODSA-N 2 1 379.548 3.920 20 0 GHADMP Cc1cc(O)cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001232881038 1038656818 /nfs/dbraw/zinc/65/68/18/1038656818.db2.gz VHCHDTAPZJRBCJ-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(O)cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001232881038 1038656821 /nfs/dbraw/zinc/65/68/21/1038656821.db2.gz VHCHDTAPZJRBCJ-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(O)cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001232881038 1038656825 /nfs/dbraw/zinc/65/68/25/1038656825.db2.gz VHCHDTAPZJRBCJ-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(O)cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001232881038 1038656831 /nfs/dbraw/zinc/65/68/31/1038656831.db2.gz VHCHDTAPZJRBCJ-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP COCOc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001233281249 1039055738 /nfs/dbraw/zinc/05/57/38/1039055738.db2.gz TYSGUKLCDBWPBL-UHFFFAOYSA-N 2 1 381.520 3.552 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)CC2 ZINC001233338565 1039141723 /nfs/dbraw/zinc/14/17/23/1039141723.db2.gz URELFDXRJSXYPB-UHFFFAOYSA-N 2 1 388.512 3.664 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC001252843601 1039203877 /nfs/dbraw/zinc/20/38/77/1039203877.db2.gz WJJRXUJQSSZOJU-PKTZIBPZSA-N 2 1 398.522 3.615 20 0 GHADMP CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001252931802 1039268389 /nfs/dbraw/zinc/26/83/89/1039268389.db2.gz MXYJRMHTRWRGIS-SIKLNZKXSA-N 2 1 388.600 3.929 20 0 GHADMP CC(C)c1ccc([C@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001252931802 1039268401 /nfs/dbraw/zinc/26/84/01/1039268401.db2.gz MXYJRMHTRWRGIS-SIKLNZKXSA-N 2 1 388.600 3.929 20 0 GHADMP O[C@]1(C[NH+]2CCC(n3ccc4ccccc43)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252930855 1039269111 /nfs/dbraw/zinc/26/91/11/1039269111.db2.gz DVRBBCIEQVPMGR-VWLOTQADSA-N 2 1 389.543 3.915 20 0 GHADMP O[C@]1(C[NH+]2CCC(n3ccc4ccccc43)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252930855 1039269123 /nfs/dbraw/zinc/26/91/23/1039269123.db2.gz DVRBBCIEQVPMGR-VWLOTQADSA-N 2 1 389.543 3.915 20 0 GHADMP Cc1ccc(Cl)c(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1F ZINC001252949529 1039293679 /nfs/dbraw/zinc/29/36/79/1039293679.db2.gz OCKDVXALCHCXBR-NRFANRHFSA-N 2 1 376.903 3.557 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C2 ZINC001253491123 1039672383 /nfs/dbraw/zinc/67/23/83/1039672383.db2.gz PSZVKMWXQJSPGF-STZQEDGTSA-N 2 1 378.988 3.933 20 0 GHADMP CCCCC[C@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001253528647 1039691905 /nfs/dbraw/zinc/69/19/05/1039691905.db2.gz PENDQBDSRBDIEX-OALUTQOASA-N 2 1 380.598 3.745 20 0 GHADMP OC1(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038010 1039968762 /nfs/dbraw/zinc/96/87/62/1039968762.db2.gz XBXPZXOUDCWJDL-QHCPKHFHSA-N 2 1 380.532 3.557 20 0 GHADMP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001234396337 1040001576 /nfs/dbraw/zinc/00/15/76/1040001576.db2.gz JTXKRNPDKNLUDN-UNMCSNQZSA-N 2 1 388.600 3.851 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](C1CCC(F)(F)CC1)CC2 ZINC001254219228 1040075128 /nfs/dbraw/zinc/07/51/28/1040075128.db2.gz DMLURKPDGXRKFU-IBGZPJMESA-N 2 1 379.495 3.715 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C(F)(F)F)c(F)c3)CC2)CC1 ZINC001254508122 1040287601 /nfs/dbraw/zinc/28/76/01/1040287601.db2.gz GVGCKQVDFVSAON-INIZCTEOSA-N 2 1 387.465 3.883 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C(F)(F)F)c(F)c3)CC2)CC1 ZINC001254508123 1040288298 /nfs/dbraw/zinc/28/82/98/1040288298.db2.gz GVGCKQVDFVSAON-MRXNPFEDSA-N 2 1 387.465 3.883 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)CC1 ZINC001254511505 1040291227 /nfs/dbraw/zinc/29/12/27/1040291227.db2.gz BEUCUUFLZLGBMK-LJQANCHMSA-N 2 1 395.385 3.862 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@@H]3C[NH+](C)CCO3)c2)CC[N@@H+]1C ZINC001234914689 1040429167 /nfs/dbraw/zinc/42/91/67/1040429167.db2.gz RAXSUNPBMRSQQF-XQUALCHDSA-N 2 1 386.580 3.938 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@@H]3C[NH+](C)CCO3)c2)CC[N@H+]1C ZINC001234914689 1040429183 /nfs/dbraw/zinc/42/91/83/1040429183.db2.gz RAXSUNPBMRSQQF-XQUALCHDSA-N 2 1 386.580 3.938 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@@H]3C[N@H+](C)CCO3)c2)CC[NH+]1C ZINC001234914689 1040429197 /nfs/dbraw/zinc/42/91/97/1040429197.db2.gz RAXSUNPBMRSQQF-XQUALCHDSA-N 2 1 386.580 3.938 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@@H]3C[N@@H+](C)CCO3)c2)CC[NH+]1C ZINC001234914689 1040429205 /nfs/dbraw/zinc/42/92/05/1040429205.db2.gz RAXSUNPBMRSQQF-XQUALCHDSA-N 2 1 386.580 3.938 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254749546 1040509857 /nfs/dbraw/zinc/50/98/57/1040509857.db2.gz QCGRMPQRJUQNQQ-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254788410 1040547687 /nfs/dbraw/zinc/54/76/87/1040547687.db2.gz SEDWZJFPPBVEGY-GOSISDBHSA-N 2 1 379.589 3.878 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cccc(N5CCOCC5)c4)C3)C2)cc1 ZINC001235083502 1040568727 /nfs/dbraw/zinc/56/87/27/1040568727.db2.gz ZYQYMTKVEUVSBJ-RUZDIDTESA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cccc(N5CCOCC5)c4)C3)C2)cc1 ZINC001235083502 1040568747 /nfs/dbraw/zinc/56/87/47/1040568747.db2.gz ZYQYMTKVEUVSBJ-RUZDIDTESA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cccc(N5CCOCC5)c4)C3)C2)cc1 ZINC001235083502 1040568754 /nfs/dbraw/zinc/56/87/54/1040568754.db2.gz ZYQYMTKVEUVSBJ-RUZDIDTESA-N 2 1 391.559 3.621 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235154707 1040648262 /nfs/dbraw/zinc/64/82/62/1040648262.db2.gz ALBVHINQYAZGTC-XJDXJNMNSA-N 2 1 378.463 3.505 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235158052 1040650653 /nfs/dbraw/zinc/65/06/53/1040650653.db2.gz TZYGZKDBXDBUSN-GOSISDBHSA-N 2 1 395.341 3.590 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]2C1 ZINC001254898234 1040652937 /nfs/dbraw/zinc/65/29/37/1040652937.db2.gz TYVZXYCWVFDQCC-OGZAXXGMSA-N 2 1 377.573 3.756 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001254995836 1040716228 /nfs/dbraw/zinc/71/62/28/1040716228.db2.gz DZXQHHNDPQPDKU-DYESRHJHSA-N 2 1 399.966 3.758 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001254995837 1040716538 /nfs/dbraw/zinc/71/65/38/1040716538.db2.gz DZXQHHNDPQPDKU-LAUBAEHRSA-N 2 1 399.966 3.758 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1Br ZINC001235238571 1040719848 /nfs/dbraw/zinc/71/98/48/1040719848.db2.gz PYOBEGZGTLUKLW-INIZCTEOSA-N 2 1 385.321 3.951 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001235265914 1040745401 /nfs/dbraw/zinc/74/54/01/1040745401.db2.gz LDFUHQPYQXNKPT-IRLDBZIGSA-N 2 1 388.600 3.563 20 0 GHADMP COC(C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)OC ZINC001255069402 1040762817 /nfs/dbraw/zinc/76/28/17/1040762817.db2.gz LAHGUBNLHFISJA-VDKIKQQVSA-N 2 1 394.559 3.960 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(Cl)c(F)c1)C2 ZINC001235323392 1040793535 /nfs/dbraw/zinc/79/35/35/1040793535.db2.gz CTVLXCKHJQMRQQ-GHTZIAJQSA-N 2 1 394.918 3.624 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1c[nH]c3c1cccc3C)C2 ZINC001235326576 1040795593 /nfs/dbraw/zinc/79/55/93/1040795593.db2.gz ZZWSJCXFXKEMAU-GBXCKJPGSA-N 2 1 395.547 3.621 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1F)C2 ZINC001235326281 1040796136 /nfs/dbraw/zinc/79/61/36/1040796136.db2.gz VMHPHNADDGLBHS-GHTZIAJQSA-N 2 1 394.918 3.624 20 0 GHADMP Cc1cc(Br)c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Br)c1 ZINC001235340156 1040809781 /nfs/dbraw/zinc/80/97/81/1040809781.db2.gz ICSXICXPERDFQX-NSHDSACASA-N 2 1 388.147 3.561 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123570 1040815356 /nfs/dbraw/zinc/81/53/56/1040815356.db2.gz CWRHYUIYQZUULU-PLACYPQZSA-N 2 1 385.552 3.781 20 0 GHADMP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001255128159 1040820666 /nfs/dbraw/zinc/82/06/66/1040820666.db2.gz MMIMVBKBLOIIPB-WBDAEOGXSA-N 2 1 389.543 3.751 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(-c4ccccc4)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235350907 1040827538 /nfs/dbraw/zinc/82/75/38/1040827538.db2.gz APOBAHXGJSWZJO-UPVQGACJSA-N 2 1 378.516 3.718 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235351457 1040829281 /nfs/dbraw/zinc/82/92/81/1040829281.db2.gz PAOKXODKVWFTEB-JWQCQUIFSA-N 3 1 393.575 3.596 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235351457 1040829299 /nfs/dbraw/zinc/82/92/99/1040829299.db2.gz PAOKXODKVWFTEB-JWQCQUIFSA-N 2 1 393.575 3.596 20 0 GHADMP FC(F)(F)Cn1nccc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255133502 1040830524 /nfs/dbraw/zinc/83/05/24/1040830524.db2.gz SWUKCDTUGVJHAA-BCDXTJNWSA-N 2 1 378.442 3.731 20 0 GHADMP FC(F)(F)Cn1nccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255133502 1040830547 /nfs/dbraw/zinc/83/05/47/1040830547.db2.gz SWUKCDTUGVJHAA-BCDXTJNWSA-N 2 1 378.442 3.731 20 0 GHADMP FC(F)(F)Cn1nccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255133502 1040830566 /nfs/dbraw/zinc/83/05/66/1040830566.db2.gz SWUKCDTUGVJHAA-BCDXTJNWSA-N 2 1 378.442 3.731 20 0 GHADMP CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136093 1040836732 /nfs/dbraw/zinc/83/67/32/1040836732.db2.gz MXUNAHKNIALZEY-GPJHCHHRSA-N 2 1 385.596 3.519 20 0 GHADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136438 1040840065 /nfs/dbraw/zinc/84/00/65/1040840065.db2.gz LBQBPHYPBHPYOG-PKOFMYQESA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136438 1040840073 /nfs/dbraw/zinc/84/00/73/1040840073.db2.gz LBQBPHYPBHPYOG-PKOFMYQESA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136438 1040840081 /nfs/dbraw/zinc/84/00/81/1040840081.db2.gz LBQBPHYPBHPYOG-PKOFMYQESA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136438 1040840094 /nfs/dbraw/zinc/84/00/94/1040840094.db2.gz LBQBPHYPBHPYOG-PKOFMYQESA-N 2 1 382.470 3.817 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CCCC1 ZINC001255145983 1040856868 /nfs/dbraw/zinc/85/68/68/1040856868.db2.gz YGXZTCBWPWKKKB-WZYRSQIMSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CCCC1 ZINC001255145983 1040856890 /nfs/dbraw/zinc/85/68/90/1040856890.db2.gz YGXZTCBWPWKKKB-WZYRSQIMSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCC1 ZINC001255145983 1040856918 /nfs/dbraw/zinc/85/69/18/1040856918.db2.gz YGXZTCBWPWKKKB-WZYRSQIMSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCC1 ZINC001255145983 1040856938 /nfs/dbraw/zinc/85/69/38/1040856938.db2.gz YGXZTCBWPWKKKB-WZYRSQIMSA-N 2 1 381.564 3.659 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC(Oc4ncccn4)CC2)C3)cc1 ZINC001255145902 1040857823 /nfs/dbraw/zinc/85/78/23/1040857823.db2.gz XCGRKFTXDRFICN-WKCHPHFGSA-N 2 1 378.520 3.515 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)cc2)cc1 ZINC001235366719 1040860428 /nfs/dbraw/zinc/86/04/28/1040860428.db2.gz FPPWTWVAAFNITP-TUACAJSNSA-N 2 1 377.532 3.716 20 0 GHADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255146210 1040860707 /nfs/dbraw/zinc/86/07/07/1040860707.db2.gz DMVGDQXFDWDLPK-CDXCJDFSSA-N 2 1 382.548 3.846 20 0 GHADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146210 1040860720 /nfs/dbraw/zinc/86/07/20/1040860720.db2.gz DMVGDQXFDWDLPK-CDXCJDFSSA-N 2 1 382.548 3.846 20 0 GHADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146210 1040860738 /nfs/dbraw/zinc/86/07/38/1040860738.db2.gz DMVGDQXFDWDLPK-CDXCJDFSSA-N 2 1 382.548 3.846 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@@H]21 ZINC001255149525 1040868852 /nfs/dbraw/zinc/86/88/52/1040868852.db2.gz IMCPDKWSPYSNSA-CUUWFGFTSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@@H]21 ZINC001255149525 1040868860 /nfs/dbraw/zinc/86/88/60/1040868860.db2.gz IMCPDKWSPYSNSA-CUUWFGFTSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@@H]21 ZINC001255149525 1040868867 /nfs/dbraw/zinc/86/88/67/1040868867.db2.gz IMCPDKWSPYSNSA-CUUWFGFTSA-N 2 1 397.563 3.733 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(C(F)(F)F)c1 ZINC001235369131 1040869961 /nfs/dbraw/zinc/86/99/61/1040869961.db2.gz QNFZRJGIUVVCAV-IIAWOOMASA-N 2 1 394.359 3.677 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(Br)c1 ZINC001235377880 1040892224 /nfs/dbraw/zinc/89/22/24/1040892224.db2.gz FOGGFOWDRNQQII-ZHALLVOQSA-N 2 1 379.342 3.525 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235379038 1040895469 /nfs/dbraw/zinc/89/54/69/1040895469.db2.gz FRRKYAZUIICJMF-NOZRDPDXSA-N 2 1 392.543 3.545 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428148 1040930469 /nfs/dbraw/zinc/93/04/69/1040930469.db2.gz PACUPKKDSOSQMH-JKSUJKDBSA-N 2 1 398.332 3.811 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001255259759 1040931059 /nfs/dbraw/zinc/93/10/59/1040931059.db2.gz RSUNEZPGTOJARQ-UHFFFAOYSA-N 2 1 399.579 3.880 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431069 1040932074 /nfs/dbraw/zinc/93/20/74/1040932074.db2.gz UHTQNKOQABMSLV-HUUCEWRRSA-N 2 1 391.357 3.547 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235433055 1040934267 /nfs/dbraw/zinc/93/42/67/1040934267.db2.gz WSZOSOWINGPWNG-JKSUJKDBSA-N 2 1 398.332 3.811 20 0 GHADMP COc1cncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001235464250 1040950343 /nfs/dbraw/zinc/95/03/43/1040950343.db2.gz OQCQBNHRTOLUJX-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255379944 1040971268 /nfs/dbraw/zinc/97/12/68/1040971268.db2.gz YQLSGSHYOYKEOG-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255379944 1040971269 /nfs/dbraw/zinc/97/12/69/1040971269.db2.gz YQLSGSHYOYKEOG-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255379944 1040971273 /nfs/dbraw/zinc/97/12/73/1040971273.db2.gz YQLSGSHYOYKEOG-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP c1c2c(nn1CC1CC1)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)OCC2 ZINC001255383477 1040973761 /nfs/dbraw/zinc/97/37/61/1040973761.db2.gz JZBZWNXYFVGKJL-DHIUTWEWSA-N 2 1 394.563 3.551 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384405 1040974209 /nfs/dbraw/zinc/97/42/09/1040974209.db2.gz YBCUSVZGTOIFRP-QHCPKHFHSA-N 3 1 381.564 3.771 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255386968 1040975241 /nfs/dbraw/zinc/97/52/41/1040975241.db2.gz DHSUDAOYRQAFIH-QFIPXVFZSA-N 2 1 385.596 3.915 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255386967 1040975749 /nfs/dbraw/zinc/97/57/49/1040975749.db2.gz DHSUDAOYRQAFIH-JOCHJYFZSA-N 2 1 385.596 3.915 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386803 1040975877 /nfs/dbraw/zinc/97/58/77/1040975877.db2.gz BXGQWKHTCCSJAH-AZUAARDMSA-N 2 1 375.557 3.792 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255390989 1040979175 /nfs/dbraw/zinc/97/91/75/1040979175.db2.gz MLRGTCVJYDQXKT-HSZRJFAPSA-N 2 1 380.532 3.937 20 0 GHADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CCOCC2)nc1 ZINC001255391916 1040979853 /nfs/dbraw/zinc/97/98/53/1040979853.db2.gz FMUTUNLREGYEQV-JOCHJYFZSA-N 2 1 397.538 3.913 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255397076 1040984112 /nfs/dbraw/zinc/98/41/12/1040984112.db2.gz DRPANVRNQNXGKJ-HSZRJFAPSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255397076 1040984114 /nfs/dbraw/zinc/98/41/14/1040984114.db2.gz DRPANVRNQNXGKJ-HSZRJFAPSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255397076 1040984117 /nfs/dbraw/zinc/98/41/17/1040984117.db2.gz DRPANVRNQNXGKJ-HSZRJFAPSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255397076 1040984118 /nfs/dbraw/zinc/98/41/18/1040984118.db2.gz DRPANVRNQNXGKJ-HSZRJFAPSA-N 2 1 378.516 3.886 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCC(COCC[NH+]4CCCC4)CC3)CC2)cc1 ZINC001255399547 1040985270 /nfs/dbraw/zinc/98/52/70/1040985270.db2.gz UUBYGIQNDLPNOG-RUZDIDTESA-N 3 1 399.623 3.866 20 0 GHADMP c1ccc(CN2CCC[C@@H]([NH+]3CCC(COCC[NH+]4CCCC4)CC3)CC2)cc1 ZINC001255399547 1040985271 /nfs/dbraw/zinc/98/52/71/1040985271.db2.gz UUBYGIQNDLPNOG-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP O=C([C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403367 1040990838 /nfs/dbraw/zinc/99/08/38/1040990838.db2.gz PBGKHTSMQBCNMV-XZOQPEGZSA-N 2 1 383.580 3.766 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403367 1040990839 /nfs/dbraw/zinc/99/08/39/1040990839.db2.gz PBGKHTSMQBCNMV-XZOQPEGZSA-N 2 1 383.580 3.766 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403367 1040990841 /nfs/dbraw/zinc/99/08/41/1040990841.db2.gz PBGKHTSMQBCNMV-XZOQPEGZSA-N 2 1 383.580 3.766 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255405356 1040992604 /nfs/dbraw/zinc/99/26/04/1040992604.db2.gz WJFIUMHQDPYMEX-XMMPIXPASA-N 2 1 393.575 3.868 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255405356 1040992615 /nfs/dbraw/zinc/99/26/15/1040992615.db2.gz WJFIUMHQDPYMEX-XMMPIXPASA-N 2 1 393.575 3.868 20 0 GHADMP C[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001255407797 1040994474 /nfs/dbraw/zinc/99/44/74/1040994474.db2.gz DOEGXYZVEIWZEQ-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001255407797 1040994477 /nfs/dbraw/zinc/99/44/77/1040994477.db2.gz DOEGXYZVEIWZEQ-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001255407797 1040994478 /nfs/dbraw/zinc/99/44/78/1040994478.db2.gz DOEGXYZVEIWZEQ-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP COc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC001255408719 1040995962 /nfs/dbraw/zinc/99/59/62/1040995962.db2.gz BCVCZXLQAABFLI-NRFANRHFSA-N 2 1 394.563 3.703 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255408780 1040995979 /nfs/dbraw/zinc/99/59/79/1040995979.db2.gz BNLJHWOJFBUAGZ-NRFANRHFSA-N 3 1 394.563 3.703 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255408780 1040995980 /nfs/dbraw/zinc/99/59/80/1040995980.db2.gz BNLJHWOJFBUAGZ-NRFANRHFSA-N 2 1 394.563 3.703 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255408780 1040995987 /nfs/dbraw/zinc/99/59/87/1040995987.db2.gz BNLJHWOJFBUAGZ-NRFANRHFSA-N 2 1 394.563 3.703 20 0 GHADMP COc1cc(O[C@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409879 1040998861 /nfs/dbraw/zinc/99/88/61/1040998861.db2.gz MLCAEJCPHLEAFA-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409879 1040998865 /nfs/dbraw/zinc/99/88/65/1040998865.db2.gz MLCAEJCPHLEAFA-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409879 1040998870 /nfs/dbraw/zinc/99/88/70/1040998870.db2.gz MLCAEJCPHLEAFA-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CCN(CCC[NH2+]C4CCCCC4)CC3)C2)cc1 ZINC001235612688 1041031492 /nfs/dbraw/zinc/03/14/92/1041031492.db2.gz RURNRKBZZPKWLG-UHFFFAOYSA-N 2 1 385.596 3.666 20 0 GHADMP c1ccc(C[N@@H+]2CCOC3(CC[NH+](CCC[NH2+]C4CCCCC4)CC3)C2)cc1 ZINC001235612688 1041031536 /nfs/dbraw/zinc/03/15/36/1041031536.db2.gz RURNRKBZZPKWLG-UHFFFAOYSA-N 3 1 385.596 3.666 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CCC[NH2+]C4CCCCC4)CC3)C2)cc1 ZINC001235612688 1041031565 /nfs/dbraw/zinc/03/15/65/1041031565.db2.gz RURNRKBZZPKWLG-UHFFFAOYSA-N 3 1 385.596 3.666 20 0 GHADMP COc1c(C)cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1C ZINC001235645609 1041083389 /nfs/dbraw/zinc/08/33/89/1041083389.db2.gz IFPWTKGPEHKHAS-UHFFFAOYSA-N 2 1 382.552 3.947 20 0 GHADMP COc1c(C)cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1C ZINC001235645609 1041083417 /nfs/dbraw/zinc/08/34/17/1041083417.db2.gz IFPWTKGPEHKHAS-UHFFFAOYSA-N 2 1 382.552 3.947 20 0 GHADMP Cn1ccc2cc(C[N@H+]3CCCn4cnc(C[NH2+]C5CCCC5)c4C3)ccc21 ZINC001235646242 1041086582 /nfs/dbraw/zinc/08/65/82/1041086582.db2.gz JJXBYHCRRGAVEZ-UHFFFAOYSA-N 2 1 377.536 3.813 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001235670528 1041126023 /nfs/dbraw/zinc/12/60/23/1041126023.db2.gz UINXZFGZCAJIGZ-SWLSCSKDSA-N 2 1 376.850 3.813 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001235686814 1041158155 /nfs/dbraw/zinc/15/81/55/1041158155.db2.gz CPGXZSBBWSVDFC-MRXNPFEDSA-N 2 1 393.503 3.850 20 0 GHADMP COc1ccccc1Sc1ccc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)cc1 ZINC001235702095 1041181641 /nfs/dbraw/zinc/18/16/41/1041181641.db2.gz JAZURZIJOVYGDY-UHFFFAOYSA-N 2 1 397.588 3.716 20 0 GHADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521888 1070326838 /nfs/dbraw/zinc/32/68/38/1070326838.db2.gz JVDDDEDAPSEHBR-TZIWHRDSSA-N 2 1 385.552 3.506 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521888 1070326856 /nfs/dbraw/zinc/32/68/56/1070326856.db2.gz JVDDDEDAPSEHBR-TZIWHRDSSA-N 2 1 385.552 3.506 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521888 1070326875 /nfs/dbraw/zinc/32/68/75/1070326875.db2.gz JVDDDEDAPSEHBR-TZIWHRDSSA-N 2 1 385.552 3.506 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521888 1070326892 /nfs/dbraw/zinc/32/68/92/1070326892.db2.gz JVDDDEDAPSEHBR-TZIWHRDSSA-N 2 1 385.552 3.506 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521888 1070326908 /nfs/dbraw/zinc/32/69/08/1070326908.db2.gz JVDDDEDAPSEHBR-TZIWHRDSSA-N 2 1 385.552 3.506 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680557 1041211961 /nfs/dbraw/zinc/21/19/61/1041211961.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001255680557 1041211970 /nfs/dbraw/zinc/21/19/70/1041211970.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001255680557 1041211979 /nfs/dbraw/zinc/21/19/79/1041211979.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 2 1 382.596 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680557 1041211991 /nfs/dbraw/zinc/21/19/91/1041211991.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 3 1 382.596 3.629 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680557 1041211997 /nfs/dbraw/zinc/21/19/97/1041211997.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680557 1041212012 /nfs/dbraw/zinc/21/20/12/1041212012.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680557 1041212025 /nfs/dbraw/zinc/21/20/25/1041212025.db2.gz ZNDUINNQBYODKM-OHVHLSQMSA-N 3 1 382.596 3.629 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001255789389 1041296246 /nfs/dbraw/zinc/29/62/46/1041296246.db2.gz SAGSNAAHBPNPFD-AZOUXBGGSA-N 2 1 380.580 3.996 20 0 GHADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001255789389 1041296263 /nfs/dbraw/zinc/29/62/63/1041296263.db2.gz SAGSNAAHBPNPFD-AZOUXBGGSA-N 2 1 380.580 3.996 20 0 GHADMP Cc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001255789389 1041296284 /nfs/dbraw/zinc/29/62/84/1041296284.db2.gz SAGSNAAHBPNPFD-AZOUXBGGSA-N 2 1 380.580 3.996 20 0 GHADMP Clc1ccccc1[C@@H]1CC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001235825031 1041346175 /nfs/dbraw/zinc/34/61/75/1041346175.db2.gz HCODGMVGJBXXLH-GOSISDBHSA-N 2 1 395.938 3.839 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCCN(C(=O)OC(C)(C)C)C4)C[C@@H]3C2)cc1 ZINC001255911691 1041394328 /nfs/dbraw/zinc/39/43/28/1041394328.db2.gz LOVIDWLXPBIBSY-BDTNDASRSA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCCN(C(=O)OC(C)(C)C)C4)C[C@@H]3C2)cc1 ZINC001255911691 1041394340 /nfs/dbraw/zinc/39/43/40/1041394340.db2.gz LOVIDWLXPBIBSY-BDTNDASRSA-N 2 1 399.579 3.758 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235867034 1041400295 /nfs/dbraw/zinc/40/02/95/1041400295.db2.gz MKKDNHCDAURVAB-JLMWRMLUSA-N 2 1 395.547 3.687 20 0 GHADMP COCCC[N@@H+](Cc1c[nH]c2ccc(Br)cc12)C1CC[NH2+]CC1 ZINC001235936581 1041440983 /nfs/dbraw/zinc/44/09/83/1041440983.db2.gz DBWZETTZJOKDTQ-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP COCCC[N@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235937914 1041443053 /nfs/dbraw/zinc/44/30/53/1041443053.db2.gz TXXZGYFFLQRMOW-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP COCCC[N@@H+](Cc1cc(Cl)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235937914 1041443065 /nfs/dbraw/zinc/44/30/65/1041443065.db2.gz TXXZGYFFLQRMOW-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1N1CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC001235950339 1041454550 /nfs/dbraw/zinc/45/45/50/1041454550.db2.gz BFOCAURTLVFVCF-INIZCTEOSA-N 2 1 380.374 3.871 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1N1CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC001235950339 1041454557 /nfs/dbraw/zinc/45/45/57/1041454557.db2.gz BFOCAURTLVFVCF-INIZCTEOSA-N 2 1 380.374 3.871 20 0 GHADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc(OCc2ccccc2)c1OC ZINC001235958176 1041467168 /nfs/dbraw/zinc/46/71/68/1041467168.db2.gz XMGGFBBKJQQNKM-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc(OCc2ccccc2)c1OC ZINC001235958176 1041467178 /nfs/dbraw/zinc/46/71/78/1041467178.db2.gz XMGGFBBKJQQNKM-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP Nc1cc(Br)ccc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973479 1041478087 /nfs/dbraw/zinc/47/80/87/1041478087.db2.gz LIVVLLQZOAJVPB-UHFFFAOYSA-N 2 1 386.337 3.668 20 0 GHADMP Nc1cc(Br)ccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973479 1041478089 /nfs/dbraw/zinc/47/80/89/1041478089.db2.gz LIVVLLQZOAJVPB-UHFFFAOYSA-N 2 1 386.337 3.668 20 0 GHADMP c1ccc(Oc2cnccn2)c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235979207 1041483719 /nfs/dbraw/zinc/48/37/19/1041483719.db2.gz VULXRLZIMRFVEM-UHFFFAOYSA-N 2 1 386.499 3.906 20 0 GHADMP Cn1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c2c1ccnc2Cl ZINC001235978905 1041484663 /nfs/dbraw/zinc/48/46/63/1041484663.db2.gz LTHJBBZGTGDHEV-UHFFFAOYSA-N 2 1 380.923 3.864 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)CC1)CC(C)C ZINC001256041928 1041492232 /nfs/dbraw/zinc/49/22/32/1041492232.db2.gz ZVEPXVNQYUVWQH-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1)CC(C)C ZINC001256041928 1041492238 /nfs/dbraw/zinc/49/22/38/1041492238.db2.gz ZVEPXVNQYUVWQH-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1)CC(C)C ZINC001256041928 1041492242 /nfs/dbraw/zinc/49/22/42/1041492242.db2.gz ZVEPXVNQYUVWQH-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn(C2CC[NH+](C3CC3)CC2)c2ccccc12 ZINC001256071482 1041506840 /nfs/dbraw/zinc/50/68/40/1041506840.db2.gz ZSBSULZCAJAPHH-FQEVSTJZSA-N 2 1 383.536 3.652 20 0 GHADMP CCC[N@@H+](Cc1ccc(-n2cccn2)c(Br)c1)C1CC[NH2+]CC1 ZINC001236184348 1041602707 /nfs/dbraw/zinc/60/27/07/1041602707.db2.gz JDUDYIWCTCRNSS-UHFFFAOYSA-N 2 1 377.330 3.599 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)C3(C)CC[NH2+]CC3)c2n1 ZINC001236226111 1041632292 /nfs/dbraw/zinc/63/22/92/1041632292.db2.gz IQIGVSJZQIJSBH-UHFFFAOYSA-N 2 1 378.314 3.580 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)cc(OC)c1 ZINC001236229061 1041634209 /nfs/dbraw/zinc/63/42/09/1041634209.db2.gz XHJFCVFTCANTIJ-UHFFFAOYSA-N 2 1 382.504 3.754 20 0 GHADMP C[NH+]1CCC([N@@H+]2CCCC[C@@]3(CCCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001256202809 1041645735 /nfs/dbraw/zinc/64/57/35/1041645735.db2.gz MNMDMIVQVSRPSB-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCC([N@H+]2CCCC[C@@]3(CCCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001256202809 1041645746 /nfs/dbraw/zinc/64/57/46/1041645746.db2.gz MNMDMIVQVSRPSB-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccnc(Br)c2)CC2CC[NH2+]CC2)cc1 ZINC001236381494 1041690544 /nfs/dbraw/zinc/69/05/44/1041690544.db2.gz KAHNQTHKQJNMAC-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1 ZINC001236384820 1041692329 /nfs/dbraw/zinc/69/23/29/1041692329.db2.gz FGNKQABNVPJHGL-UHFFFAOYSA-N 2 1 398.522 3.933 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236437868 1041711053 /nfs/dbraw/zinc/71/10/53/1041711053.db2.gz RITKIHOIYQGUAO-DNQXCXABSA-N 2 1 378.564 3.690 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001236441853 1041713292 /nfs/dbraw/zinc/71/32/92/1041713292.db2.gz WEBIKEAWQPYEJH-RTWAWAEBSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001236441853 1041713300 /nfs/dbraw/zinc/71/33/00/1041713300.db2.gz WEBIKEAWQPYEJH-RTWAWAEBSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001236441853 1041713307 /nfs/dbraw/zinc/71/33/07/1041713307.db2.gz WEBIKEAWQPYEJH-RTWAWAEBSA-N 2 1 396.604 3.625 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc(-n3ccnc3)c2)C2CC[NH2+]CC2)cc1 ZINC001236441946 1041713589 /nfs/dbraw/zinc/71/35/89/1041713589.db2.gz KDDOVCPWHJLZOJ-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]c3nccc(Cl)c23)C2CC[NH2+]CC2)cc1 ZINC001236447605 1041717082 /nfs/dbraw/zinc/71/70/82/1041717082.db2.gz USFMWSANNFRLCG-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3nccc(Cl)c23)C2CC[NH2+]CC2)cc1 ZINC001236447605 1041717087 /nfs/dbraw/zinc/71/70/87/1041717087.db2.gz USFMWSANNFRLCG-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1 ZINC001236455109 1041719583 /nfs/dbraw/zinc/71/95/83/1041719583.db2.gz STKVNLPXFDZPSX-UHFFFAOYSA-N 2 1 386.923 3.810 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1 ZINC001236455109 1041719586 /nfs/dbraw/zinc/71/95/86/1041719586.db2.gz STKVNLPXFDZPSX-UHFFFAOYSA-N 2 1 386.923 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2c[nH]c3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236464725 1041725919 /nfs/dbraw/zinc/72/59/19/1041725919.db2.gz JXTKBGLXZBFWOE-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2c[nH]c3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236464725 1041725925 /nfs/dbraw/zinc/72/59/25/1041725925.db2.gz JXTKBGLXZBFWOE-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3c2CCC3)C2CC[NH2+]CC2)c1 ZINC001236468270 1041729476 /nfs/dbraw/zinc/72/94/76/1041729476.db2.gz XHRNTJALEQUFLS-UHFFFAOYSA-N 2 1 378.516 3.716 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3c2CCC3)C2CC[NH2+]CC2)c1 ZINC001236468270 1041729482 /nfs/dbraw/zinc/72/94/82/1041729482.db2.gz XHRNTJALEQUFLS-UHFFFAOYSA-N 2 1 378.516 3.716 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+](C(C)C)[C@@H]3CCC[NH2+]C3)c2n1 ZINC001236470167 1041730545 /nfs/dbraw/zinc/73/05/45/1041730545.db2.gz AMNRKLYVOGHWDU-OAHLLOKOSA-N 2 1 392.341 3.968 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C(C)C)[C@@H]3CCC[NH2+]C3)c2n1 ZINC001236470167 1041730549 /nfs/dbraw/zinc/73/05/49/1041730549.db2.gz AMNRKLYVOGHWDU-OAHLLOKOSA-N 2 1 392.341 3.968 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN(Cc2cccnc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236478346 1041732788 /nfs/dbraw/zinc/73/27/88/1041732788.db2.gz DYAJBTLZGMHPQF-BJKOFHAPSA-N 2 1 378.564 3.690 20 0 GHADMP Cc1ccc(F)cc1C[N@H+](Cc1ccccc1N1CCOCC1)C1CC[NH2+]CC1 ZINC001236505396 1041744452 /nfs/dbraw/zinc/74/44/52/1041744452.db2.gz FHHCRJVPXVNNKQ-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1N1CCOCC1)C1CC[NH2+]CC1 ZINC001236505396 1041744460 /nfs/dbraw/zinc/74/44/60/1041744460.db2.gz FHHCRJVPXVNNKQ-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP COc1ccc2[nH]c(C[N@H+](Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)nc2c1 ZINC001236539899 1041756854 /nfs/dbraw/zinc/75/68/54/1041756854.db2.gz DHUWDSUAXCMGCJ-QAQDUYKDSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc2[nH]c(C[N@@H+](Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)nc2c1 ZINC001236539899 1041756861 /nfs/dbraw/zinc/75/68/61/1041756861.db2.gz DHUWDSUAXCMGCJ-QAQDUYKDSA-N 2 1 382.483 3.983 20 0 GHADMP COc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1Br ZINC001236551529 1041759758 /nfs/dbraw/zinc/75/97/58/1041759758.db2.gz DMJRMMLVXOIXBT-WKILWMFISA-N 2 1 397.357 3.948 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1cnn2ccc(Cl)nc12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236559867 1041763120 /nfs/dbraw/zinc/76/31/20/1041763120.db2.gz GGAHUJPFRMJVIS-WGSAOQKQSA-N 2 1 383.927 3.963 20 0 GHADMP CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001236562487 1041764312 /nfs/dbraw/zinc/76/43/12/1041764312.db2.gz VRIPBDLRANACHE-UHFFFAOYSA-N 2 1 395.547 3.592 20 0 GHADMP COc1ccc(Br)nc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236573407 1041766816 /nfs/dbraw/zinc/76/68/16/1041766816.db2.gz BTJKFJRSPUNXFK-CTYIDZIISA-N 2 1 382.346 3.867 20 0 GHADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001236583099 1041767577 /nfs/dbraw/zinc/76/75/77/1041767577.db2.gz LWSZCXJUOYBSPO-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236583099 1041767584 /nfs/dbraw/zinc/76/75/84/1041767584.db2.gz LWSZCXJUOYBSPO-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236583099 1041767589 /nfs/dbraw/zinc/76/75/89/1041767589.db2.gz LWSZCXJUOYBSPO-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)CC1 ZINC001236620396 1041786625 /nfs/dbraw/zinc/78/66/25/1041786625.db2.gz CBAGAKSBTYYJGS-OAQYLSRUSA-N 2 1 399.966 3.916 20 0 GHADMP COc1cc(C[N@H+](C2CCC2)C2CC[NH2+]CC2)c(OC)cc1Br ZINC001236634033 1041795564 /nfs/dbraw/zinc/79/55/64/1041795564.db2.gz OVRAGONXGPQLNO-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP COc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c(OC)cc1Br ZINC001236634033 1041795569 /nfs/dbraw/zinc/79/55/69/1041795569.db2.gz OVRAGONXGPQLNO-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236693246 1041835607 /nfs/dbraw/zinc/83/56/07/1041835607.db2.gz AHPSGSSOENKWEP-MXVIHJGJSA-N 2 1 382.504 3.754 20 0 GHADMP COc1ccc(OC)c(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236701330 1041841409 /nfs/dbraw/zinc/84/14/09/1041841409.db2.gz QDMQADRXMXTQGO-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)cn2)C[C@@H](C)O1 ZINC001236766905 1041879802 /nfs/dbraw/zinc/87/98/02/1041879802.db2.gz HSWGRXVTHVUFBT-VURPSTOHSA-N 2 1 388.600 3.813 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001236849387 1041927149 /nfs/dbraw/zinc/92/71/49/1041927149.db2.gz WOKNVDKSNAIYPS-SFHVURJKSA-N 2 1 386.565 3.665 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cccc(-n3cncn3)c2)CC1 ZINC001236883180 1041939310 /nfs/dbraw/zinc/93/93/10/1041939310.db2.gz BXSZPNMNYSDMSX-UHFFFAOYSA-N 2 1 375.520 3.754 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cccc(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001236894001 1041943175 /nfs/dbraw/zinc/94/31/75/1041943175.db2.gz POOLUPRSDVKFJI-QFIPXVFZSA-N 2 1 393.575 3.902 20 0 GHADMP Cn1c2ccccc2c2cc(C[N@H+](C3CC[NH2+]CC3)C3CCN(C)CC3)ccc21 ZINC001237038075 1041999217 /nfs/dbraw/zinc/99/92/17/1041999217.db2.gz QGPLBIGMYLVCOJ-UHFFFAOYSA-N 2 1 390.575 3.980 20 0 GHADMP Cn1c2ccccc2c2cc(C[N@@H+](C3CC[NH2+]CC3)C3CCN(C)CC3)ccc21 ZINC001237038075 1041999221 /nfs/dbraw/zinc/99/92/21/1041999221.db2.gz QGPLBIGMYLVCOJ-UHFFFAOYSA-N 2 1 390.575 3.980 20 0 GHADMP CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237098810 1042034366 /nfs/dbraw/zinc/03/43/66/1042034366.db2.gz ONADFNYCAHJALB-SFHVURJKSA-N 2 1 380.374 3.821 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)CC[C@@H]21 ZINC001237105834 1042039456 /nfs/dbraw/zinc/03/94/56/1042039456.db2.gz SYCAWXJZOKNOGK-SGNDLWITSA-N 2 1 393.579 3.919 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C4CCC4)cc3)CC[C@@H]21 ZINC001237105834 1042039461 /nfs/dbraw/zinc/03/94/61/1042039461.db2.gz SYCAWXJZOKNOGK-SGNDLWITSA-N 2 1 393.579 3.919 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(C4CCC4)cc3)CC[C@@H]21 ZINC001237105834 1042039464 /nfs/dbraw/zinc/03/94/64/1042039464.db2.gz SYCAWXJZOKNOGK-SGNDLWITSA-N 2 1 393.579 3.919 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(C4CCC4)cc3)CC[C@@H]21 ZINC001237105834 1042039467 /nfs/dbraw/zinc/03/94/67/1042039467.db2.gz SYCAWXJZOKNOGK-SGNDLWITSA-N 2 1 393.579 3.919 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001237191055 1042086310 /nfs/dbraw/zinc/08/63/10/1042086310.db2.gz JNTPLVRDHRXXCA-KKSFZXQISA-N 2 1 388.506 3.757 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)ccc2[nH]1 ZINC001237300398 1042132998 /nfs/dbraw/zinc/13/29/98/1042132998.db2.gz KVHALWTZCNQMMD-UHFFFAOYSA-N 2 1 389.499 3.592 20 0 GHADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001237316973 1042144149 /nfs/dbraw/zinc/14/41/49/1042144149.db2.gz UBLMRKJCUJBNIE-UHFFFAOYSA-N 2 1 392.503 3.679 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1ccc(Br)cc1Br)CC2 ZINC001237356670 1042166418 /nfs/dbraw/zinc/16/64/18/1042166418.db2.gz MQUKHULPHMAJBA-AWEZNQCLSA-N 2 1 388.147 3.915 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1cccc(Br)c1Br)CC2 ZINC001237356019 1042166740 /nfs/dbraw/zinc/16/67/40/1042166740.db2.gz FNUSPIVCMPQMTJ-CYBMUJFWSA-N 2 1 388.147 3.915 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCC4(CC3)[NH2+]Cc3ccccc34)C2)cc1 ZINC001237360527 1042169089 /nfs/dbraw/zinc/16/90/89/1042169089.db2.gz ZNTYGHCKAATQAG-JOCHJYFZSA-N 2 1 375.560 3.993 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2C)CCC12C[NH2+]C2 ZINC001237431667 1042205777 /nfs/dbraw/zinc/20/57/77/1042205777.db2.gz QBDAGLLXIYHYFQ-QFIPXVFZSA-N 2 1 378.516 3.637 20 0 GHADMP COc1c(C)cccc1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001237503825 1042239742 /nfs/dbraw/zinc/23/97/42/1042239742.db2.gz ONYCNRGMMRDJQH-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccc(Cl)c(Cl)c1 ZINC001278123394 1042291785 /nfs/dbraw/zinc/29/17/85/1042291785.db2.gz SVRPRAGFLMILHP-ALOPSCKCSA-N 2 1 398.378 3.599 20 0 GHADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(Cl)c(Cl)c1 ZINC001278123394 1042291793 /nfs/dbraw/zinc/29/17/93/1042291793.db2.gz SVRPRAGFLMILHP-ALOPSCKCSA-N 2 1 398.378 3.599 20 0 GHADMP Cc1ccnc2cccc(C[NH+]3CCC4(CCC[N@H+]4Cc4cnn(C)c4)CC3)c12 ZINC001237625536 1042291804 /nfs/dbraw/zinc/29/18/04/1042291804.db2.gz UWLGOHFFVDBKDD-UHFFFAOYSA-N 2 1 389.547 3.907 20 0 GHADMP Cc1ccnc2cccc(C[NH+]3CCC4(CCC[N@@H+]4Cc4cnn(C)c4)CC3)c12 ZINC001237625536 1042291809 /nfs/dbraw/zinc/29/18/09/1042291809.db2.gz UWLGOHFFVDBKDD-UHFFFAOYSA-N 2 1 389.547 3.907 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ncc(C)cn2)CC3)c1 ZINC001237806316 1042379800 /nfs/dbraw/zinc/37/98/00/1042379800.db2.gz UKSOVVQXZJYSLN-UHFFFAOYSA-N 2 1 380.536 3.672 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)O2)n1 ZINC001237877494 1042405419 /nfs/dbraw/zinc/40/54/19/1042405419.db2.gz OMOSIYKDNGWVFQ-NJYVYQBISA-N 2 1 394.519 3.874 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccsc1C)CC2 ZINC001237966147 1042439497 /nfs/dbraw/zinc/43/94/97/1042439497.db2.gz HKLMDLLRPIFOMY-NRFANRHFSA-N 2 1 385.577 3.955 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(O)ccc1C)CC2 ZINC001238093846 1042490381 /nfs/dbraw/zinc/49/03/81/1042490381.db2.gz VPGOSEFVAWFBJB-QFIPXVFZSA-N 2 1 395.547 3.599 20 0 GHADMP O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238110011 1042494138 /nfs/dbraw/zinc/49/41/38/1042494138.db2.gz ICEAEOFCTUXAAL-UHFFFAOYSA-N 2 1 382.895 3.516 20 0 GHADMP c1cc(-c2cccc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2)n[nH]1 ZINC001238210602 1042520917 /nfs/dbraw/zinc/52/09/17/1042520917.db2.gz QYLVLZYULWMFFH-UHFFFAOYSA-N 2 1 387.531 3.960 20 0 GHADMP Clc1ccc(CC[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001278211610 1042538717 /nfs/dbraw/zinc/53/87/17/1042538717.db2.gz QESBPNATRUDJHA-UHFFFAOYSA-N 2 1 379.335 3.857 20 0 GHADMP Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001239214240 1042787237 /nfs/dbraw/zinc/78/72/37/1042787237.db2.gz GTIDUYCCKUIFTC-NRFANRHFSA-N 2 1 392.547 3.618 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256534994 1043472254 /nfs/dbraw/zinc/47/22/54/1043472254.db2.gz VVWMZUOFQFVJOG-SIKLNZKXSA-N 2 1 392.547 3.741 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256534994 1043472266 /nfs/dbraw/zinc/47/22/66/1043472266.db2.gz VVWMZUOFQFVJOG-SIKLNZKXSA-N 2 1 392.547 3.741 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccncc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535142 1043472331 /nfs/dbraw/zinc/47/23/31/1043472331.db2.gz DCYCHZFHZSCYQE-OFNKIYASSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccncc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256535142 1043472338 /nfs/dbraw/zinc/47/23/38/1043472338.db2.gz DCYCHZFHZSCYQE-OFNKIYASSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2(Cc3cccnc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538247 1043483729 /nfs/dbraw/zinc/48/37/29/1043483729.db2.gz SHRHDYIZRSPCJA-NZQKXSOJSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2(Cc3cccnc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256538247 1043483741 /nfs/dbraw/zinc/48/37/41/1043483741.db2.gz SHRHDYIZRSPCJA-NZQKXSOJSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3cccnc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538246 1043485190 /nfs/dbraw/zinc/48/51/90/1043485190.db2.gz SHRHDYIZRSPCJA-NFBKMPQASA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3cccnc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256538246 1043485196 /nfs/dbraw/zinc/48/51/96/1043485196.db2.gz SHRHDYIZRSPCJA-NFBKMPQASA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256538898 1043487543 /nfs/dbraw/zinc/48/75/43/1043487543.db2.gz VRKOWBRHQLGUQX-AUSIDOKSSA-N 2 1 379.548 3.574 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256538898 1043487561 /nfs/dbraw/zinc/48/75/61/1043487561.db2.gz VRKOWBRHQLGUQX-AUSIDOKSSA-N 2 1 379.548 3.574 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256540643 1043490319 /nfs/dbraw/zinc/49/03/19/1043490319.db2.gz GTFXHNKTPOVSDV-UGKGYDQZSA-N 2 1 378.564 3.982 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256540643 1043490343 /nfs/dbraw/zinc/49/03/43/1043490343.db2.gz GTFXHNKTPOVSDV-UGKGYDQZSA-N 2 1 378.564 3.982 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256544763 1043499788 /nfs/dbraw/zinc/49/97/88/1043499788.db2.gz OJRZKPNMCNXXLS-IQFVJIFQSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256544763 1043499799 /nfs/dbraw/zinc/49/97/99/1043499799.db2.gz OJRZKPNMCNXXLS-IQFVJIFQSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256544763 1043499807 /nfs/dbraw/zinc/49/98/07/1043499807.db2.gz OJRZKPNMCNXXLS-IQFVJIFQSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256544763 1043499818 /nfs/dbraw/zinc/49/98/18/1043499818.db2.gz OJRZKPNMCNXXLS-IQFVJIFQSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[N@@H+]1Cc1ccccc1 ZINC001256545489 1043502846 /nfs/dbraw/zinc/50/28/46/1043502846.db2.gz FMMREXJMCAUTFJ-WWEVIYMKSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[N@H+]1Cc1ccccc1 ZINC001256545489 1043502861 /nfs/dbraw/zinc/50/28/61/1043502861.db2.gz FMMREXJMCAUTFJ-WWEVIYMKSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[NH+]1Cc1ccccc1 ZINC001256545489 1043502881 /nfs/dbraw/zinc/50/28/81/1043502881.db2.gz FMMREXJMCAUTFJ-WWEVIYMKSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[NH+]1Cc1ccccc1 ZINC001256545489 1043502900 /nfs/dbraw/zinc/50/29/00/1043502900.db2.gz FMMREXJMCAUTFJ-WWEVIYMKSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544768 1043504407 /nfs/dbraw/zinc/50/44/07/1043504407.db2.gz OKDUCYWJMYDXGM-ZHHKINOHSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256544768 1043504420 /nfs/dbraw/zinc/50/44/20/1043504420.db2.gz OKDUCYWJMYDXGM-ZHHKINOHSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548540 1043508820 /nfs/dbraw/zinc/50/88/20/1043508820.db2.gz YRFZZARYBMAKRS-NMTNEYKDSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256548540 1043508829 /nfs/dbraw/zinc/50/88/29/1043508829.db2.gz YRFZZARYBMAKRS-NMTNEYKDSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548540 1043508837 /nfs/dbraw/zinc/50/88/37/1043508837.db2.gz YRFZZARYBMAKRS-NMTNEYKDSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548540 1043508856 /nfs/dbraw/zinc/50/88/56/1043508856.db2.gz YRFZZARYBMAKRS-NMTNEYKDSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@@H]1C[C@H](n2cc3c(cccc3N3CC[NH2+]CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001256555073 1043523338 /nfs/dbraw/zinc/52/33/38/1043523338.db2.gz SSBRUGYAVICOJR-TZIWHRDSSA-N 2 1 389.547 3.672 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556700 1043526666 /nfs/dbraw/zinc/52/66/66/1043526666.db2.gz IOCGHPYBVDXPIJ-CEMLEFRQSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556700 1043526672 /nfs/dbraw/zinc/52/66/72/1043526672.db2.gz IOCGHPYBVDXPIJ-CEMLEFRQSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556700 1043526686 /nfs/dbraw/zinc/52/66/86/1043526686.db2.gz IOCGHPYBVDXPIJ-CEMLEFRQSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556700 1043526695 /nfs/dbraw/zinc/52/66/95/1043526695.db2.gz IOCGHPYBVDXPIJ-CEMLEFRQSA-N 2 1 395.547 3.987 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001256557641 1043529260 /nfs/dbraw/zinc/52/92/60/1043529260.db2.gz NXEIJMLIMAMZKQ-FPOVZHCZSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001256557641 1043529270 /nfs/dbraw/zinc/52/92/70/1043529270.db2.gz NXEIJMLIMAMZKQ-FPOVZHCZSA-N 2 1 380.536 3.681 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OC1CCOCC1 ZINC001256565744 1043539634 /nfs/dbraw/zinc/53/96/34/1043539634.db2.gz AGXHTEWNIYUINW-UHFFFAOYSA-N 2 1 376.541 3.606 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)CC1 ZINC001256568737 1043543268 /nfs/dbraw/zinc/54/32/68/1043543268.db2.gz CBANDVFOAIBUTB-NRFANRHFSA-N 2 1 385.552 3.907 20 0 GHADMP C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256700164 1043630849 /nfs/dbraw/zinc/63/08/49/1043630849.db2.gz RGXFQBUZQVFWCM-APMMTJHUSA-N 2 1 393.369 3.839 20 0 GHADMP C[C@H]1Cc2cccc(Br)c2C[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256699282 1043630902 /nfs/dbraw/zinc/63/09/02/1043630902.db2.gz LPWLGGOZPPIHGG-ZLPCBKJTSA-N 2 1 393.369 3.839 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256856847 1043704452 /nfs/dbraw/zinc/70/44/52/1043704452.db2.gz MHHPRLYAKMWKHV-UHFFFAOYSA-N 2 1 386.540 3.526 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256857588 1043706556 /nfs/dbraw/zinc/70/65/56/1043706556.db2.gz UKAQQLYDBUFSGI-JOCHJYFZSA-N 2 1 386.540 3.526 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)C[C@@H]2C1 ZINC001256894892 1043727321 /nfs/dbraw/zinc/72/73/21/1043727321.db2.gz NVWYGPCCYHQBBV-RDGPPVDQSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)C[C@@H]2C1 ZINC001256894892 1043727333 /nfs/dbraw/zinc/72/73/33/1043727333.db2.gz NVWYGPCCYHQBBV-RDGPPVDQSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256895690 1043727371 /nfs/dbraw/zinc/72/73/71/1043727371.db2.gz WYEUNNUGFZAJHH-XEYPJELSSA-N 2 1 377.573 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256895690 1043727381 /nfs/dbraw/zinc/72/73/81/1043727381.db2.gz WYEUNNUGFZAJHH-XEYPJELSSA-N 2 1 377.573 3.914 20 0 GHADMP O=C(c1ccccc1F)N1CCC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256909713 1043735355 /nfs/dbraw/zinc/73/53/55/1043735355.db2.gz VKTUXIYSFVNFOS-LJQANCHMSA-N 2 1 387.543 3.675 20 0 GHADMP O=C(c1ccccc1F)N1CCC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256909713 1043735366 /nfs/dbraw/zinc/73/53/66/1043735366.db2.gz VKTUXIYSFVNFOS-LJQANCHMSA-N 2 1 387.543 3.675 20 0 GHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001292497185 1043764537 /nfs/dbraw/zinc/76/45/37/1043764537.db2.gz POFZPFKAPCFXLW-KSZLIROESA-N 2 1 385.556 3.578 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN1C(=O)OC(C)(C)C ZINC001257119906 1043864590 /nfs/dbraw/zinc/86/45/90/1043864590.db2.gz XIUFMKXUTPHOSV-MLBCHFTJSA-N 2 1 399.579 3.885 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1C(=O)OC(C)(C)C ZINC001257119906 1043864604 /nfs/dbraw/zinc/86/46/04/1043864604.db2.gz XIUFMKXUTPHOSV-MLBCHFTJSA-N 2 1 399.579 3.885 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257821271 1044203540 /nfs/dbraw/zinc/20/35/40/1044203540.db2.gz KJKKUDDJIRTKLE-KNQAVFIVSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257821271 1044203549 /nfs/dbraw/zinc/20/35/49/1044203549.db2.gz KJKKUDDJIRTKLE-KNQAVFIVSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)C1 ZINC001257988678 1044317445 /nfs/dbraw/zinc/31/74/45/1044317445.db2.gz MJGBGPJDIHEEDX-ACRUOGEOSA-N 2 1 387.568 3.539 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+](C1CCC(c3ccccc3)CC1)CCC2 ZINC001257999053 1044327530 /nfs/dbraw/zinc/32/75/30/1044327530.db2.gz ARKUMQGNFCRECG-UHFFFAOYSA-N 2 1 396.579 3.893 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC001258013622 1044339923 /nfs/dbraw/zinc/33/99/23/1044339923.db2.gz UVMLSMUXVXSVIQ-UHFFFAOYSA-N 2 1 395.385 3.853 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC1 ZINC001258014925 1044341567 /nfs/dbraw/zinc/34/15/67/1044341567.db2.gz NIGQKPVFBFUHPT-XZOQPEGZSA-N 2 1 378.601 3.937 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@@H+](C4CC[NH+](CC(C)C)CC4)C3)CC2=O)s1 ZINC001258014951 1044341997 /nfs/dbraw/zinc/34/19/97/1044341997.db2.gz OPOQAUHZVIEEMT-NRFANRHFSA-N 2 1 375.582 3.606 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4CC[NH+](CC(C)C)CC4)C3)CC2=O)s1 ZINC001258014951 1044342006 /nfs/dbraw/zinc/34/20/06/1044342006.db2.gz OPOQAUHZVIEEMT-NRFANRHFSA-N 2 1 375.582 3.606 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CC2)OC(=O)c2cc(Cl)ccc23)CC1 ZINC001258017331 1044343819 /nfs/dbraw/zinc/34/38/19/1044343819.db2.gz DVYKDEZUINJLMX-UHFFFAOYSA-N 2 1 376.928 3.922 20 0 GHADMP CCCc1noc([C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC001258147997 1044436988 /nfs/dbraw/zinc/43/69/88/1044436988.db2.gz XTFSRBFILHBZTP-FQEVSTJZSA-N 2 1 382.552 3.909 20 0 GHADMP CCCc1noc([C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC001258147997 1044437001 /nfs/dbraw/zinc/43/70/01/1044437001.db2.gz XTFSRBFILHBZTP-FQEVSTJZSA-N 2 1 382.552 3.909 20 0 GHADMP CCCc1noc([C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258147997 1044437010 /nfs/dbraw/zinc/43/70/10/1044437010.db2.gz XTFSRBFILHBZTP-FQEVSTJZSA-N 2 1 382.552 3.909 20 0 GHADMP CCCc1noc([C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258147997 1044437020 /nfs/dbraw/zinc/43/70/20/1044437020.db2.gz XTFSRBFILHBZTP-FQEVSTJZSA-N 2 1 382.552 3.909 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001294048734 1044445958 /nfs/dbraw/zinc/44/59/58/1044445958.db2.gz AYAXYRVPYNDXTH-SFTDATJTSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001294048734 1044445965 /nfs/dbraw/zinc/44/59/65/1044445965.db2.gz AYAXYRVPYNDXTH-SFTDATJTSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001294048734 1044445973 /nfs/dbraw/zinc/44/59/73/1044445973.db2.gz AYAXYRVPYNDXTH-SFTDATJTSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001294048734 1044445984 /nfs/dbraw/zinc/44/59/84/1044445984.db2.gz AYAXYRVPYNDXTH-SFTDATJTSA-N 2 1 375.532 3.513 20 0 GHADMP CSCC[C@@H](C)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258198164 1044467972 /nfs/dbraw/zinc/46/79/72/1044467972.db2.gz HQTVPIKENCXHGB-MRXNPFEDSA-N 2 1 385.618 3.582 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCN(c4cccc(F)c4)CC3)C2)C1 ZINC001258422100 1044554599 /nfs/dbraw/zinc/55/45/99/1044554599.db2.gz NXPIEWRBKXJELR-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCN(c4cccc(F)c4)CC3)C2)C1 ZINC001258422100 1044554616 /nfs/dbraw/zinc/55/46/16/1044554616.db2.gz NXPIEWRBKXJELR-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCN(c4cccc(F)c4)CC3)C2)C1 ZINC001258422100 1044554631 /nfs/dbraw/zinc/55/46/31/1044554631.db2.gz NXPIEWRBKXJELR-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCN(c4cccc(F)c4)CC3)C2)C1 ZINC001258422100 1044554645 /nfs/dbraw/zinc/55/46/45/1044554645.db2.gz NXPIEWRBKXJELR-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP O=C1CC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001258582676 1044658559 /nfs/dbraw/zinc/65/85/59/1044658559.db2.gz ADSMYVVSRAPPOQ-PKTZIBPZSA-N 2 1 383.580 3.908 20 0 GHADMP CCC[N@@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294522834 1044682545 /nfs/dbraw/zinc/68/25/45/1044682545.db2.gz OLSKVDJCXNDDND-UHFFFAOYSA-N 2 1 392.636 3.519 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001294552264 1044699830 /nfs/dbraw/zinc/69/98/30/1044699830.db2.gz CIXNWAQHINUFPW-ZEQRLZLVSA-N 2 1 397.607 3.868 20 0 GHADMP CCOC[C@@H]1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2nn(CC3CC3)cc21 ZINC001258909023 1044861147 /nfs/dbraw/zinc/86/11/47/1044861147.db2.gz BTZCGKFRSWRBOR-ICSRJNTNSA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2nn(CC3CC3)cc21 ZINC001258909023 1044861174 /nfs/dbraw/zinc/86/11/74/1044861174.db2.gz BTZCGKFRSWRBOR-ICSRJNTNSA-N 2 1 376.589 3.739 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001295572903 1045057402 /nfs/dbraw/zinc/05/74/02/1045057402.db2.gz OSCYZBBVYHEEBP-GOSISDBHSA-N 2 1 392.636 3.617 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001296046565 1045233010 /nfs/dbraw/zinc/23/30/10/1045233010.db2.gz UMZRXSOQPBHAEC-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP CC[N@H+]1CCN(c2nnc(-c3ccccc3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001296154883 1045267183 /nfs/dbraw/zinc/26/71/83/1045267183.db2.gz QFXBKECIIOQTHT-HXUWFJFHSA-N 2 1 398.599 3.594 20 0 GHADMP CCCN(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000378887288 1046683716 /nfs/dbraw/zinc/68/37/16/1046683716.db2.gz MRNRTRMMSQNEFJ-UHFFFAOYSA-N 2 1 375.557 3.888 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001301866173 1046734636 /nfs/dbraw/zinc/73/46/36/1046734636.db2.gz AFIWGCOUKCMDNH-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001302038074 1046790468 /nfs/dbraw/zinc/79/04/68/1046790468.db2.gz ZYZGVEXQDPCYTB-ZJSXRUAMSA-N 2 1 391.559 3.771 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716835 1047116538 /nfs/dbraw/zinc/11/65/38/1047116538.db2.gz CXXZTDIWINTJEK-FPOVZHCZSA-N 2 1 388.939 3.582 20 0 GHADMP CC(C)[N@@H+](C)CCCn1c(N2CCC[NH+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001303269012 1047331827 /nfs/dbraw/zinc/33/18/27/1047331827.db2.gz PYBODTLYTNUUEP-UHFFFAOYSA-N 2 1 392.636 3.617 20 0 GHADMP CC(C)[NH+](C)CCCn1c(N2CCC[N@@H+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001303269012 1047331843 /nfs/dbraw/zinc/33/18/43/1047331843.db2.gz PYBODTLYTNUUEP-UHFFFAOYSA-N 2 1 392.636 3.617 20 0 GHADMP CC(C)[NH+](C)CCCn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1C(C)(C)C ZINC001303269012 1047331855 /nfs/dbraw/zinc/33/18/55/1047331855.db2.gz PYBODTLYTNUUEP-UHFFFAOYSA-N 2 1 392.636 3.617 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC001463194599 1070902279 /nfs/dbraw/zinc/90/22/79/1070902279.db2.gz CTSIBBANNSJVOM-MHIUNMELSA-N 2 1 383.580 3.873 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)c(F)cc3Cl)(C1)CCC2 ZINC001279249624 1047748675 /nfs/dbraw/zinc/74/86/75/1047748675.db2.gz RICKSJMMTPTMHE-MOPGFXCFSA-N 2 1 388.886 3.763 20 0 GHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(Cl)s2)CC3)n(C)n1 ZINC001279335079 1047772359 /nfs/dbraw/zinc/77/23/59/1047772359.db2.gz JZVCXXWQZXFXRG-UHFFFAOYSA-N 2 1 378.973 3.932 20 0 GHADMP Brc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)n1 ZINC001279381345 1047786998 /nfs/dbraw/zinc/78/69/98/1047786998.db2.gz IZZQPSXLUXLSRQ-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP Brc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)n1 ZINC001279381345 1047787001 /nfs/dbraw/zinc/78/70/01/1047787001.db2.gz IZZQPSXLUXLSRQ-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP Brc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001279381273 1047787056 /nfs/dbraw/zinc/78/70/56/1047787056.db2.gz GPZADHYRTQLMFV-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001279381273 1047787059 /nfs/dbraw/zinc/78/70/59/1047787059.db2.gz GPZADHYRTQLMFV-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Cc1cc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)ccc1Br ZINC001279391723 1047791709 /nfs/dbraw/zinc/79/17/09/1047791709.db2.gz DFLJZRZMIZYHNY-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ccc1Br ZINC001279391723 1047791716 /nfs/dbraw/zinc/79/17/16/1047791716.db2.gz DFLJZRZMIZYHNY-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)ccc1Br ZINC001279391723 1047791724 /nfs/dbraw/zinc/79/17/24/1047791724.db2.gz DFLJZRZMIZYHNY-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP C[N@H+]1CCC[C@H](CN2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826533 /nfs/dbraw/zinc/82/65/33/1047826533.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@H](CN2CCC[C@@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826541 /nfs/dbraw/zinc/82/65/41/1047826541.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@H](CN2CCC[C@@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501768 1047826546 /nfs/dbraw/zinc/82/65/46/1047826546.db2.gz JKQCSJSALKWNLA-RBUKOAKNSA-N 2 1 375.523 3.849 20 0 GHADMP Fc1cnc(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)c(F)c1 ZINC001279568180 1047840996 /nfs/dbraw/zinc/84/09/96/1047840996.db2.gz JVGRFYJKLLJUIK-OKILXGFUSA-N 2 1 377.401 3.846 20 0 GHADMP Fc1cnc(C[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)c(F)c1 ZINC001279568180 1047841004 /nfs/dbraw/zinc/84/10/04/1047841004.db2.gz JVGRFYJKLLJUIK-OKILXGFUSA-N 2 1 377.401 3.846 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)CC2 ZINC001279579830 1047850989 /nfs/dbraw/zinc/85/09/89/1047850989.db2.gz PJNGMGXQHTWWLK-TZIWHRDSSA-N 2 1 375.988 3.793 20 0 GHADMP C[NH+](C)CCN1CCC2(C1)CC[NH+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)CC2 ZINC001279579830 1047851008 /nfs/dbraw/zinc/85/10/08/1047851008.db2.gz PJNGMGXQHTWWLK-TZIWHRDSSA-N 2 1 375.988 3.793 20 0 GHADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)Sc1ccc(Cl)cc1 ZINC001279593287 1047857667 /nfs/dbraw/zinc/85/76/67/1047857667.db2.gz FDJFRVSVHNLDHQ-HDICACEKSA-N 2 1 382.017 3.921 20 0 GHADMP CCc1csc(C[NH+]2CCC3(CC[N@H+](Cc4scnc4C)C3)CC2)n1 ZINC001279607666 1047867124 /nfs/dbraw/zinc/86/71/24/1047867124.db2.gz KSSGTTBWKZJAMU-UHFFFAOYSA-N 2 1 376.595 3.959 20 0 GHADMP CCc1csc(C[NH+]2CCC3(CC[N@@H+](Cc4scnc4C)C3)CC2)n1 ZINC001279607666 1047867144 /nfs/dbraw/zinc/86/71/44/1047867144.db2.gz KSSGTTBWKZJAMU-UHFFFAOYSA-N 2 1 376.595 3.959 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCc3ccccc3Br)(C1)CCC2 ZINC001279627336 1047876536 /nfs/dbraw/zinc/87/65/36/1047876536.db2.gz PIQRONIVJVZHCZ-UXHICEINSA-N 2 1 394.401 3.578 20 0 GHADMP COC(=O)c1cc(Cl)cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001279663433 1047904226 /nfs/dbraw/zinc/90/42/26/1047904226.db2.gz POXHFAIYEXPANF-UHFFFAOYSA-N 2 1 376.928 3.967 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc3sccc3nc1Cl)CC2 ZINC001279672291 1047908882 /nfs/dbraw/zinc/90/88/82/1047908882.db2.gz NYODUQQFEITHCP-UHFFFAOYSA-N 2 1 393.000 3.799 20 0 GHADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccsc3Cl)C[C@H]2CC1 ZINC001279692796 1047918098 /nfs/dbraw/zinc/91/80/98/1047918098.db2.gz LDMCRGZICKTCJW-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccsc3Cl)C[C@H]2CC1 ZINC001279692796 1047918100 /nfs/dbraw/zinc/91/81/00/1047918100.db2.gz LDMCRGZICKTCJW-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccsc3Cl)C[C@H]2CC1 ZINC001279692796 1047918102 /nfs/dbraw/zinc/91/81/02/1047918102.db2.gz LDMCRGZICKTCJW-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)cnc3Cl)CC2)C1 ZINC001279707934 1047926621 /nfs/dbraw/zinc/92/66/21/1047926621.db2.gz JZDRSOBGKLROPO-UHFFFAOYSA-N 2 1 385.383 3.628 20 0 GHADMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cc(Cl)cnc3Cl)CC2)C1 ZINC001279707934 1047926630 /nfs/dbraw/zinc/92/66/30/1047926630.db2.gz JZDRSOBGKLROPO-UHFFFAOYSA-N 2 1 385.383 3.628 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(F)cc1Cl ZINC001280115669 1048089014 /nfs/dbraw/zinc/08/90/14/1048089014.db2.gz NXFGVYQPZRHACS-UHFFFAOYSA-N 2 1 376.907 3.999 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000821991686 1048362226 /nfs/dbraw/zinc/36/22/26/1048362226.db2.gz WFSJPUSRBLZFCF-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP CCc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3C(F)(F)F)CC2)cs1 ZINC001306966807 1048983901 /nfs/dbraw/zinc/98/39/01/1048983901.db2.gz VPZMAJSLCCSQGT-UHFFFAOYSA-N 2 1 384.471 3.865 20 0 GHADMP C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307440020 1049277447 /nfs/dbraw/zinc/27/74/47/1049277447.db2.gz KEXBWCBWWWQQDB-ISJGIBHGSA-N 2 1 394.559 3.723 20 0 GHADMP C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307440020 1049277461 /nfs/dbraw/zinc/27/74/61/1049277461.db2.gz KEXBWCBWWWQQDB-ISJGIBHGSA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307440020 1049277472 /nfs/dbraw/zinc/27/74/72/1049277472.db2.gz KEXBWCBWWWQQDB-ISJGIBHGSA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307440020 1049277484 /nfs/dbraw/zinc/27/74/84/1049277484.db2.gz KEXBWCBWWWQQDB-ISJGIBHGSA-N 2 1 394.559 3.723 20 0 GHADMP C[C@@H]1SCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC001307472403 1049308110 /nfs/dbraw/zinc/30/81/10/1049308110.db2.gz MUVBBNNUBXZHIX-ZEYPLWLESA-N 2 1 397.588 3.584 20 0 GHADMP C[C@@H]1SCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC001307472403 1049308118 /nfs/dbraw/zinc/30/81/18/1049308118.db2.gz MUVBBNNUBXZHIX-ZEYPLWLESA-N 2 1 397.588 3.584 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C2CC2)cc1 ZINC001307642285 1049469751 /nfs/dbraw/zinc/46/97/51/1049469751.db2.gz DHLUADLMZJRGER-DEOSSOPVSA-N 2 1 379.548 3.756 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C2CC2)cc1 ZINC001307642285 1049469762 /nfs/dbraw/zinc/46/97/62/1049469762.db2.gz DHLUADLMZJRGER-DEOSSOPVSA-N 2 1 379.548 3.756 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC001308041082 1049791588 /nfs/dbraw/zinc/79/15/88/1049791588.db2.gz SKLCLWSGKBWZGD-OXFYSEKESA-N 2 1 391.437 3.774 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001290770633 1049920631 /nfs/dbraw/zinc/92/06/31/1049920631.db2.gz YOOFAYBRWQTZCR-NKKJXINNSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001308246230 1049925420 /nfs/dbraw/zinc/92/54/20/1049925420.db2.gz HTFIUFNDLJOASM-NRFANRHFSA-N 2 1 379.589 3.878 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC001290847801 1049938489 /nfs/dbraw/zinc/93/84/89/1049938489.db2.gz UNJQEBXIPMGUNG-OAQYLSRUSA-N 2 1 385.939 3.507 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC001290847801 1049938493 /nfs/dbraw/zinc/93/84/93/1049938493.db2.gz UNJQEBXIPMGUNG-OAQYLSRUSA-N 2 1 385.939 3.507 20 0 GHADMP CN(c1ccccc1CN[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CC[NH+](C)CC1 ZINC001308292652 1049940024 /nfs/dbraw/zinc/94/00/24/1049940024.db2.gz KMYCIDISCHUEAI-QFIPXVFZSA-N 2 1 384.612 3.571 20 0 GHADMP CN(c1ccccc1C[NH2+][C@H]1CCN(CC2CCCC2)C1)C1CC[NH+](C)CC1 ZINC001308292652 1049940026 /nfs/dbraw/zinc/94/00/26/1049940026.db2.gz KMYCIDISCHUEAI-QFIPXVFZSA-N 2 1 384.612 3.571 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CCCO1 ZINC001308368890 1049960175 /nfs/dbraw/zinc/96/01/75/1049960175.db2.gz DPQCDABAMJCOHA-CYBMUJFWSA-N 2 1 398.320 3.660 20 0 GHADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)OCCc2ccccc21 ZINC001308502485 1049991883 /nfs/dbraw/zinc/99/18/83/1049991883.db2.gz RWQBRRFGWPSAMN-DEOSSOPVSA-N 2 1 382.523 3.910 20 0 GHADMP CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001308635792 1050042866 /nfs/dbraw/zinc/04/28/66/1050042866.db2.gz SRQSFHSAFYURBT-OAADDMNDSA-N 2 1 384.564 3.997 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCC[C@@H]3[NH+](C)C)cc2)C1 ZINC001327674263 1050249174 /nfs/dbraw/zinc/24/91/74/1050249174.db2.gz MPAKCLAMMUKBPV-COPCDDAFSA-N 2 1 386.584 3.591 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c1 ZINC001328411430 1050501392 /nfs/dbraw/zinc/50/13/92/1050501392.db2.gz DMSWGPHLVQRJBT-UHFFFAOYSA-N 2 1 389.341 3.805 20 0 GHADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC001331789697 1051374603 /nfs/dbraw/zinc/37/46/03/1051374603.db2.gz DHZVEHRSFWLUOT-CQSZACIVSA-N 2 1 385.405 3.955 20 0 GHADMP Cc1c(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cnn1-c1cc[nH+]cc1 ZINC001333150304 1051676740 /nfs/dbraw/zinc/67/67/40/1051676740.db2.gz XBFWMYSJCABHFL-UHFFFAOYSA-N 2 1 375.476 3.814 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3csc(C(F)(F)F)n3)CC2)oc1C ZINC001333667676 1051801952 /nfs/dbraw/zinc/80/19/52/1051801952.db2.gz IHMQWGAPLYKELM-UHFFFAOYSA-N 2 1 388.459 3.769 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc1OCc1cccnc1 ZINC001334355305 1051933237 /nfs/dbraw/zinc/93/32/37/1051933237.db2.gz BRVVRKKECPQPSA-BDTNDASRSA-N 2 1 395.547 3.831 20 0 GHADMP CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nc1-c1ccccc1 ZINC001334723885 1051968308 /nfs/dbraw/zinc/96/83/08/1051968308.db2.gz JEWYAITZWKGSER-OTWHNJEPSA-N 2 1 385.581 3.721 20 0 GHADMP CCn1c(=S)n(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)nc1-c1ccccc1 ZINC001334723885 1051968310 /nfs/dbraw/zinc/96/83/10/1051968310.db2.gz JEWYAITZWKGSER-OTWHNJEPSA-N 2 1 385.581 3.721 20 0 GHADMP C[C@@H](CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[NH+]1CCCC[C@H]1C ZINC001311395120 1052088586 /nfs/dbraw/zinc/08/85/86/1052088586.db2.gz IQJDIGOPDOVMPW-UXHICEINSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1)[N@@H+]1CCCC[C@H]1C ZINC001311395120 1052088591 /nfs/dbraw/zinc/08/85/91/1052088591.db2.gz IQJDIGOPDOVMPW-UXHICEINSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1)[N@H+]1CCCC[C@H]1C ZINC001311395120 1052088596 /nfs/dbraw/zinc/08/85/96/1052088596.db2.gz IQJDIGOPDOVMPW-UXHICEINSA-N 2 1 386.584 3.603 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1)CC(C)C ZINC001311404320 1052108875 /nfs/dbraw/zinc/10/88/75/1052108875.db2.gz CBIFHQUBJFTJLW-FQEVSTJZSA-N 2 1 380.621 3.650 20 0 GHADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001311496306 1052201637 /nfs/dbraw/zinc/20/16/37/1052201637.db2.gz LHEKDNOCUXCMGP-WOJBJXKFSA-N 2 1 386.584 3.544 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001311670257 1052316866 /nfs/dbraw/zinc/31/68/66/1052316866.db2.gz SVNSCAOUKWECBW-QFIPXVFZSA-N 2 1 398.595 3.605 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)ccc1OCc1ccncc1 ZINC001336888387 1052358328 /nfs/dbraw/zinc/35/83/28/1052358328.db2.gz JPQPFIPGPBWBHF-BDTNDASRSA-N 2 1 395.547 3.831 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1)C[C@H]1CCCCO1 ZINC001337239800 1052430340 /nfs/dbraw/zinc/43/03/40/1052430340.db2.gz RGJFZNGAPJGKBC-HXUWFJFHSA-N 2 1 375.557 3.793 20 0 GHADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001311952257 1052495986 /nfs/dbraw/zinc/49/59/86/1052495986.db2.gz NUMJVEDIWSQNET-QFIPXVFZSA-N 2 1 386.584 3.512 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001311952257 1052495993 /nfs/dbraw/zinc/49/59/93/1052495993.db2.gz NUMJVEDIWSQNET-QFIPXVFZSA-N 2 1 386.584 3.512 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001311952955 1052497081 /nfs/dbraw/zinc/49/70/81/1052497081.db2.gz KKCZLKFBJPMMTM-AZUAARDMSA-N 2 1 380.621 3.697 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001312118453 1052582833 /nfs/dbraw/zinc/58/28/33/1052582833.db2.gz GRYUBBRYFSGCRE-FDFHNCONSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313660470 1053158295 /nfs/dbraw/zinc/15/82/95/1053158295.db2.gz QUVZHJDZQFLPOF-FQEVSTJZSA-N 2 1 398.599 3.596 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001318505549 1054686558 /nfs/dbraw/zinc/68/65/58/1054686558.db2.gz YEDRSUUDQXUTKV-QIJUGHKUSA-N 2 1 386.584 3.733 20 0 GHADMP CCC(CC)(CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC001318662208 1054782570 /nfs/dbraw/zinc/78/25/70/1054782570.db2.gz RSXWRZBBCKEIAY-PZJWPPBQSA-N 2 1 386.584 3.776 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC001319500888 1055292262 /nfs/dbraw/zinc/29/22/62/1055292262.db2.gz ZUXZBYABZQSMSI-GOTSBHOMSA-N 2 1 383.580 3.540 20 0 GHADMP COc1nc(Cl)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1C ZINC001319715770 1055418871 /nfs/dbraw/zinc/41/88/71/1055418871.db2.gz QCFHBMYHEHJSHS-UHFFFAOYSA-N 2 1 388.943 3.570 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC001319925531 1055544741 /nfs/dbraw/zinc/54/47/41/1055544741.db2.gz XXHYMYDZWJOSJY-IBGZPJMESA-N 2 1 378.520 3.883 20 0 GHADMP C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN(C)C(=O)OC(C)(C)C ZINC001319946374 1055555421 /nfs/dbraw/zinc/55/54/21/1055555421.db2.gz LSKMAPYTDWOGBO-SBHAEUEKSA-N 2 1 389.584 3.990 20 0 GHADMP Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc2c[nH+]cn21 ZINC001319984458 1055579300 /nfs/dbraw/zinc/57/93/00/1055579300.db2.gz HAUROMBNLSWRJJ-KRWDZBQOSA-N 2 1 376.504 3.805 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC001322549298 1056751016 /nfs/dbraw/zinc/75/10/16/1056751016.db2.gz NPTJQJNRMLRKPA-XZOQPEGZSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1 ZINC001322549298 1056751028 /nfs/dbraw/zinc/75/10/28/1056751028.db2.gz NPTJQJNRMLRKPA-XZOQPEGZSA-N 2 1 394.563 3.635 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001300646918 1056763241 /nfs/dbraw/zinc/76/32/41/1056763241.db2.gz NCWGXBQWOFXBQY-NNWRFLSQSA-N 2 1 387.612 3.985 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(C)(C)C[C@H]1c1ccccc1 ZINC001300646918 1056763250 /nfs/dbraw/zinc/76/32/50/1056763250.db2.gz NCWGXBQWOFXBQY-NNWRFLSQSA-N 2 1 387.612 3.985 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001300646917 1056763822 /nfs/dbraw/zinc/76/38/22/1056763822.db2.gz NCWGXBQWOFXBQY-KSEOMHKRSA-N 2 1 387.612 3.985 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001300646917 1056763833 /nfs/dbraw/zinc/76/38/33/1056763833.db2.gz NCWGXBQWOFXBQY-KSEOMHKRSA-N 2 1 387.612 3.985 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001326076109 1057409275 /nfs/dbraw/zinc/40/92/75/1057409275.db2.gz WCRXDOBMEFFRLX-NOTZXAQLSA-N 2 1 398.595 3.747 20 0 GHADMP COC(=O)/C=C\c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000848914896 1057417887 /nfs/dbraw/zinc/41/78/87/1057417887.db2.gz UPWKDIXNDISBNZ-KTKRTIGZSA-N 2 1 394.515 3.954 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC001326298648 1057451760 /nfs/dbraw/zinc/45/17/60/1057451760.db2.gz KAKUNMSRUYISPE-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC[NH+](C)C1 ZINC001326298648 1057451763 /nfs/dbraw/zinc/45/17/63/1057451763.db2.gz KAKUNMSRUYISPE-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH+](C)C1 ZINC001326298648 1057451768 /nfs/dbraw/zinc/45/17/68/1057451768.db2.gz KAKUNMSRUYISPE-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000849060701 1057572098 /nfs/dbraw/zinc/57/20/98/1057572098.db2.gz LZZQKUPDJMNSMM-GOSISDBHSA-N 2 1 380.536 3.884 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000849061025 1057572742 /nfs/dbraw/zinc/57/27/42/1057572742.db2.gz CSKSMEFFNCUBGU-GOSISDBHSA-N 2 1 380.536 3.884 20 0 GHADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000849073079 1057582275 /nfs/dbraw/zinc/58/22/75/1057582275.db2.gz IHBPDBYWOGVZTO-LJQANCHMSA-N 2 1 394.567 3.744 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=[NH2+])Nc3ccccc3)cc2)C[C@H]1C ZINC000849076747 1057583095 /nfs/dbraw/zinc/58/30/95/1057583095.db2.gz QUFWSXQJBRPSGE-KDURUIRLSA-N 2 1 380.536 3.832 20 0 GHADMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000849095937 1057592891 /nfs/dbraw/zinc/59/28/91/1057592891.db2.gz TWJQUXXNQCOFEK-SFHVURJKSA-N 2 1 390.453 3.841 20 0 GHADMP Cc1cccc(-c2nn(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c(=S)n2C)c1 ZINC001337805473 1058271466 /nfs/dbraw/zinc/27/14/66/1058271466.db2.gz LFEHHNJSLUCQKT-GBESFXJTSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1cccc(-c2nn(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c(=S)n2C)c1 ZINC001337805473 1058271483 /nfs/dbraw/zinc/27/14/83/1058271483.db2.gz LFEHHNJSLUCQKT-GBESFXJTSA-N 2 1 385.581 3.546 20 0 GHADMP CC(C)(C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC001440734171 1058600549 /nfs/dbraw/zinc/60/05/49/1058600549.db2.gz AFANTYZZIDVAHW-LJQANCHMSA-N 2 1 377.960 3.858 20 0 GHADMP CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)(c2ccccc2)CC1 ZINC001442168087 1058928230 /nfs/dbraw/zinc/92/82/30/1058928230.db2.gz COWHHJAAXLBJBX-UHFFFAOYSA-N 2 1 385.596 3.619 20 0 GHADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC001442357491 1058951874 /nfs/dbraw/zinc/95/18/74/1058951874.db2.gz VKOZTENEOGYQQJ-UHFFFAOYSA-N 2 1 386.367 3.758 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001448116783 1060111256 /nfs/dbraw/zinc/11/12/56/1060111256.db2.gz HNJFLPDMSZGWJV-QHCPKHFHSA-N 2 1 381.564 3.677 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001455075876 1061994079 /nfs/dbraw/zinc/99/40/79/1061994079.db2.gz GGTZMGISDACTMD-PZJWPPBQSA-N 2 1 382.552 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001455075876 1061994088 /nfs/dbraw/zinc/99/40/88/1061994088.db2.gz GGTZMGISDACTMD-PZJWPPBQSA-N 2 1 382.552 3.910 20 0 GHADMP C[N@H+]1C[C@H](C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC001455118868 1062014976 /nfs/dbraw/zinc/01/49/76/1062014976.db2.gz FMCFHPOOBIBWOE-PKTZIBPZSA-N 2 1 377.532 3.956 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)CC1 ZINC001455897098 1062341888 /nfs/dbraw/zinc/34/18/88/1062341888.db2.gz VEHYYWGDHUEYRI-QFIPXVFZSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC001435417850 1062588384 /nfs/dbraw/zinc/58/83/84/1062588384.db2.gz UYLMZLUMPILQOM-HSZRJFAPSA-N 2 1 397.538 3.737 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCC[NH+](C)Cc2ccc(F)cc2)c1 ZINC001435417850 1062588401 /nfs/dbraw/zinc/58/84/01/1062588401.db2.gz UYLMZLUMPILQOM-HSZRJFAPSA-N 2 1 397.538 3.737 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCC[NH+](C)Cc2ccc(F)cc2)c1 ZINC001435417850 1062588418 /nfs/dbraw/zinc/58/84/18/1062588418.db2.gz UYLMZLUMPILQOM-HSZRJFAPSA-N 2 1 397.538 3.737 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001456476153 1062703488 /nfs/dbraw/zinc/70/34/88/1062703488.db2.gz JULDUHDNPOSOAW-JOCHJYFZSA-N 2 1 383.580 3.721 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccccc1 ZINC001459357012 1064074160 /nfs/dbraw/zinc/07/41/60/1064074160.db2.gz YTSZPRQWVQTXMA-IFMALSPDSA-N 2 1 399.966 3.766 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccccc1 ZINC001459357012 1064074169 /nfs/dbraw/zinc/07/41/69/1064074169.db2.gz YTSZPRQWVQTXMA-IFMALSPDSA-N 2 1 399.966 3.766 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](CCc1ccccc1)C1CCCC1)c1ccccc1 ZINC001459446970 1064100570 /nfs/dbraw/zinc/10/05/70/1064100570.db2.gz BOQLTVCRZCVSBC-DEOSSOPVSA-N 2 1 393.575 3.893 20 0 GHADMP C[N@@H+](CCN1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1)Cc1ccccc1 ZINC001459447515 1064100700 /nfs/dbraw/zinc/10/07/00/1064100700.db2.gz NPPYHEFWWWGZGU-XMMPIXPASA-N 2 1 381.539 3.953 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001463763072 1064596287 /nfs/dbraw/zinc/59/62/87/1064596287.db2.gz NYSYISBFHIKDJX-ZEQRLZLVSA-N 2 1 393.575 3.880 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001464380141 1064980087 /nfs/dbraw/zinc/98/00/87/1064980087.db2.gz YBLIQVGETPARJS-UNMCSNQZSA-N 2 1 385.596 3.915 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001465261458 1065508821 /nfs/dbraw/zinc/50/88/21/1065508821.db2.gz FTHFAYSMLUHEDW-JOCHJYFZSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001465261458 1065508835 /nfs/dbraw/zinc/50/88/35/1065508835.db2.gz FTHFAYSMLUHEDW-JOCHJYFZSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001465261458 1065508853 /nfs/dbraw/zinc/50/88/53/1065508853.db2.gz FTHFAYSMLUHEDW-JOCHJYFZSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001465261458 1065508858 /nfs/dbraw/zinc/50/88/58/1065508858.db2.gz FTHFAYSMLUHEDW-JOCHJYFZSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)c1 ZINC001353495283 1065977446 /nfs/dbraw/zinc/97/74/46/1065977446.db2.gz LJPJRBKWGUGUSK-HLAWJBBLSA-N 2 1 396.535 3.541 20 0 GHADMP C[NH+](C)Cc1ccnc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001467112637 1067076368 /nfs/dbraw/zinc/07/63/68/1067076368.db2.gz AWOJNOFNRRBUJC-NRFANRHFSA-N 2 1 395.551 3.567 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001467374061 1067260462 /nfs/dbraw/zinc/26/04/62/1067260462.db2.gz XYZASJDUBAADGF-RTBURBONSA-N 2 1 387.572 3.952 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001477633313 1078499810 /nfs/dbraw/zinc/49/98/10/1078499810.db2.gz FRTUTUMJUAAHKU-JOCHJYFZSA-N 2 1 386.584 3.688 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC001467591607 1067374954 /nfs/dbraw/zinc/37/49/54/1067374954.db2.gz QYRLFVQXROQMMM-NRFANRHFSA-N 2 1 386.584 3.735 20 0 GHADMP CCN(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC001467631187 1067392605 /nfs/dbraw/zinc/39/26/05/1067392605.db2.gz PXLRRTNEFCKZOV-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC001468387765 1067713646 /nfs/dbraw/zinc/71/36/46/1067713646.db2.gz JCIMDUIAICXVEU-DHIUTWEWSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C[NH+]1Cc1ccccc1 ZINC001469433250 1068160948 /nfs/dbraw/zinc/16/09/48/1068160948.db2.gz XSWPGQLERLOUFA-CWKRKGSWSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C[N@@H+]1Cc1ccccc1 ZINC001469433250 1068160954 /nfs/dbraw/zinc/16/09/54/1068160954.db2.gz XSWPGQLERLOUFA-CWKRKGSWSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C[N@H+]1Cc1ccccc1 ZINC001469433250 1068160959 /nfs/dbraw/zinc/16/09/59/1068160959.db2.gz XSWPGQLERLOUFA-CWKRKGSWSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001469706451 1068325764 /nfs/dbraw/zinc/32/57/64/1068325764.db2.gz CPKJWHISFOMLRC-DWLFOUALSA-N 2 1 388.600 3.517 20 0 GHADMP CC(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001469706451 1068325781 /nfs/dbraw/zinc/32/57/81/1068325781.db2.gz CPKJWHISFOMLRC-DWLFOUALSA-N 2 1 388.600 3.517 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001469753333 1068359095 /nfs/dbraw/zinc/35/90/95/1068359095.db2.gz NMLJKSQYLJGRLM-PWRODBHTSA-N 2 1 393.575 3.914 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001469753331 1068360109 /nfs/dbraw/zinc/36/01/09/1068360109.db2.gz NMLJKSQYLJGRLM-NJDAHSKKSA-N 2 1 393.575 3.914 20 0 GHADMP CC(C)c1ccc(CN2CCN(C(=O)C[N@H+]3CC(C)(C)[C@H]4CCC[C@H]43)CC2)cc1 ZINC001460895885 1069260748 /nfs/dbraw/zinc/26/07/48/1069260748.db2.gz MRWHXFRLYVUKJB-XZOQPEGZSA-N 2 1 397.607 3.965 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+](C)C1CCCCC1 ZINC001478495090 1078892967 /nfs/dbraw/zinc/89/29/67/1078892967.db2.gz PXDGAUIWAQYBTD-QFIPXVFZSA-N 2 1 388.600 3.707 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC001478495090 1078892971 /nfs/dbraw/zinc/89/29/71/1078892971.db2.gz PXDGAUIWAQYBTD-QFIPXVFZSA-N 2 1 388.600 3.707 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC001478495090 1078892978 /nfs/dbraw/zinc/89/29/78/1078892978.db2.gz PXDGAUIWAQYBTD-QFIPXVFZSA-N 2 1 388.600 3.707 20 0 GHADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001478519897 1078902892 /nfs/dbraw/zinc/90/28/92/1078902892.db2.gz IYPUJRSFOYNDKR-FQEVSTJZSA-N 2 1 390.616 3.739 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CCC1 ZINC001478657417 1078947826 /nfs/dbraw/zinc/94/78/26/1078947826.db2.gz OGUOQRJJNZRLHY-NRFANRHFSA-N 2 1 398.595 3.747 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001478657417 1078947827 /nfs/dbraw/zinc/94/78/27/1078947827.db2.gz OGUOQRJJNZRLHY-NRFANRHFSA-N 2 1 398.595 3.747 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001478657417 1078947831 /nfs/dbraw/zinc/94/78/31/1078947831.db2.gz OGUOQRJJNZRLHY-NRFANRHFSA-N 2 1 398.595 3.747 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001470777201 1072733017 /nfs/dbraw/zinc/73/30/17/1072733017.db2.gz KFEUZPZTVWGKLT-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP CN(C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001470825208 1072756974 /nfs/dbraw/zinc/75/69/74/1072756974.db2.gz WPYJYENMMIMYDB-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001470825208 1072756976 /nfs/dbraw/zinc/75/69/76/1072756976.db2.gz WPYJYENMMIMYDB-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001470825208 1072756978 /nfs/dbraw/zinc/75/69/78/1072756978.db2.gz WPYJYENMMIMYDB-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001478725130 1078967443 /nfs/dbraw/zinc/96/74/43/1078967443.db2.gz HILPRUFKFLOSSN-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP CC(C)[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001478746403 1078974057 /nfs/dbraw/zinc/97/40/57/1078974057.db2.gz PAPQMRFORLQAQU-IRLDBZIGSA-N 2 1 388.600 3.707 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001471216761 1072970606 /nfs/dbraw/zinc/97/06/06/1072970606.db2.gz XTNVQFQIRXWGIN-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001471216761 1072970609 /nfs/dbraw/zinc/97/06/09/1072970609.db2.gz XTNVQFQIRXWGIN-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001471216761 1072970611 /nfs/dbraw/zinc/97/06/11/1072970611.db2.gz XTNVQFQIRXWGIN-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)o1 ZINC001471729969 1073198508 /nfs/dbraw/zinc/19/85/08/1073198508.db2.gz LAMSLLUXKKAKDH-UHFFFAOYSA-N 2 1 383.536 3.906 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)o1 ZINC001471729969 1073198511 /nfs/dbraw/zinc/19/85/11/1073198511.db2.gz LAMSLLUXKKAKDH-UHFFFAOYSA-N 2 1 383.536 3.906 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC001478984365 1079051077 /nfs/dbraw/zinc/05/10/77/1079051077.db2.gz MUKJVOQDENVOGA-URVUXULASA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001478984365 1079051085 /nfs/dbraw/zinc/05/10/85/1079051085.db2.gz MUKJVOQDENVOGA-URVUXULASA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001478984365 1079051091 /nfs/dbraw/zinc/05/10/91/1079051091.db2.gz MUKJVOQDENVOGA-URVUXULASA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC001478984357 1079051115 /nfs/dbraw/zinc/05/11/15/1079051115.db2.gz MUKJVOQDENVOGA-RZUBCFFCSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001478984357 1079051118 /nfs/dbraw/zinc/05/11/18/1079051118.db2.gz MUKJVOQDENVOGA-RZUBCFFCSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001478984357 1079051124 /nfs/dbraw/zinc/05/11/24/1079051124.db2.gz MUKJVOQDENVOGA-RZUBCFFCSA-N 2 1 390.616 3.689 20 0 GHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC001472488510 1073507364 /nfs/dbraw/zinc/50/73/64/1073507364.db2.gz NANPQGOLWZIPRH-HSZRJFAPSA-N 2 1 397.563 3.891 20 0 GHADMP CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001473169725 1073828019 /nfs/dbraw/zinc/82/80/19/1073828019.db2.gz FLPCKFVSUWESME-HSALFYBXSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001473169725 1073828031 /nfs/dbraw/zinc/82/80/31/1073828031.db2.gz FLPCKFVSUWESME-HSALFYBXSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001473169725 1073828040 /nfs/dbraw/zinc/82/80/40/1073828040.db2.gz FLPCKFVSUWESME-HSALFYBXSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001473169725 1073828045 /nfs/dbraw/zinc/82/80/45/1073828045.db2.gz FLPCKFVSUWESME-HSALFYBXSA-N 2 1 392.609 3.735 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC001473182415 1073838594 /nfs/dbraw/zinc/83/85/94/1073838594.db2.gz CTLVVGFOHHRSAO-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC001473182415 1073838606 /nfs/dbraw/zinc/83/86/06/1073838606.db2.gz CTLVVGFOHHRSAO-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC001473182415 1073838616 /nfs/dbraw/zinc/83/86/16/1073838616.db2.gz CTLVVGFOHHRSAO-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001473223229 1073871396 /nfs/dbraw/zinc/87/13/96/1073871396.db2.gz WZNHREFTUSALLD-DSITVLBTSA-N 2 1 396.575 3.848 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001473223229 1073871406 /nfs/dbraw/zinc/87/14/06/1073871406.db2.gz WZNHREFTUSALLD-DSITVLBTSA-N 2 1 396.575 3.848 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001473223229 1073871417 /nfs/dbraw/zinc/87/14/17/1073871417.db2.gz WZNHREFTUSALLD-DSITVLBTSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001473223229 1073871431 /nfs/dbraw/zinc/87/14/31/1073871431.db2.gz WZNHREFTUSALLD-DSITVLBTSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001473223229 1073871441 /nfs/dbraw/zinc/87/14/41/1073871441.db2.gz WZNHREFTUSALLD-DSITVLBTSA-N 2 1 396.575 3.848 20 0 GHADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC001473285681 1073906285 /nfs/dbraw/zinc/90/62/85/1073906285.db2.gz QPLNPECHURYWBO-SFHVURJKSA-N 2 1 383.374 3.504 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC001473285681 1073906287 /nfs/dbraw/zinc/90/62/87/1073906287.db2.gz QPLNPECHURYWBO-SFHVURJKSA-N 2 1 383.374 3.504 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001473407035 1073952386 /nfs/dbraw/zinc/95/23/86/1073952386.db2.gz MMBVQLMFXKUEGN-QFBILLFUSA-N 2 1 388.474 3.811 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC001473407092 1073952656 /nfs/dbraw/zinc/95/26/56/1073952656.db2.gz NIXWGWVRMIYZJX-APWZRJJASA-N 2 1 383.374 3.984 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001473717745 1074105244 /nfs/dbraw/zinc/10/52/44/1074105244.db2.gz ZOPMVYNHALSZSC-JWQCQUIFSA-N 2 1 399.623 3.864 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001473717743 1074105529 /nfs/dbraw/zinc/10/55/29/1074105529.db2.gz ZOPMVYNHALSZSC-DQEYMECFSA-N 2 1 399.623 3.864 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1(Cc2ccccc2)CCCC1)c1ccccc1 ZINC001473775686 1074136672 /nfs/dbraw/zinc/13/66/72/1074136672.db2.gz SPYITRYWBBYKPY-QHCPKHFHSA-N 2 1 393.575 3.893 20 0 GHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473780829 1074139376 /nfs/dbraw/zinc/13/93/76/1074139376.db2.gz MCPGGKJVRJRGSV-WFXMLNOXSA-N 2 1 383.511 3.564 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H](C)C1 ZINC001474001686 1074232304 /nfs/dbraw/zinc/23/23/04/1074232304.db2.gz ADRJUDSVAFUBTN-LAUBAEHRSA-N 2 1 390.959 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H](C)C1 ZINC001474001686 1074232312 /nfs/dbraw/zinc/23/23/12/1074232312.db2.gz ADRJUDSVAFUBTN-LAUBAEHRSA-N 2 1 390.959 3.752 20 0 GHADMP COc1cccc2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cccc12 ZINC001474020933 1074238098 /nfs/dbraw/zinc/23/80/98/1074238098.db2.gz SENXRBJMLYZPKI-QPPBQGQZSA-N 2 1 390.527 3.821 20 0 GHADMP COc1cccc2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cccc12 ZINC001474020933 1074238108 /nfs/dbraw/zinc/23/81/08/1074238108.db2.gz SENXRBJMLYZPKI-QPPBQGQZSA-N 2 1 390.527 3.821 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1OCC(C)C ZINC001474068468 1074253434 /nfs/dbraw/zinc/25/34/34/1074253434.db2.gz XUUMANJTLANMSW-LEWJYISDSA-N 2 1 390.568 3.588 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c2c1OC(F)(F)O2 ZINC001474630264 1074490819 /nfs/dbraw/zinc/49/08/19/1074490819.db2.gz KESCPLPKWHFWIT-MAUKXSAKSA-N 2 1 396.478 3.851 20 0 GHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001474673422 1074508794 /nfs/dbraw/zinc/50/87/94/1074508794.db2.gz BLMQCCUBHBCINT-XODARUQUSA-N 2 1 390.593 3.624 20 0 GHADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001474745846 1074543463 /nfs/dbraw/zinc/54/34/63/1074543463.db2.gz WFBPFADIILWHCK-SQMWVJLWSA-N 2 1 379.548 3.912 20 0 GHADMP CCOc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001476042329 1075073696 /nfs/dbraw/zinc/07/36/96/1075073696.db2.gz IYHOVCVTIHKGIU-INIZCTEOSA-N 2 1 396.963 3.619 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@@H]3O)s2)cc1 ZINC001550422412 1126206241 /nfs/dbraw/zinc/20/62/41/1126206241.db2.gz VPVWOJLGENNEIN-DYQZNNLLSA-N 2 1 385.577 3.688 20 0 GHADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550424101 1126206970 /nfs/dbraw/zinc/20/69/70/1126206970.db2.gz XZVGCDULBPEMIA-HNAWSFBYSA-N 2 1 391.606 3.831 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000824285062 608504719 /nfs/dbraw/zinc/50/47/19/608504719.db2.gz VWPOWUHKKLVBHW-QFIPXVFZSA-N 2 1 390.535 3.874 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(C[NH+]3CCCC3)cn2)cc1 ZINC001164625871 719096182 /nfs/dbraw/zinc/09/61/82/719096182.db2.gz HEWXRASKIYNUGC-GOTSBHOMSA-N 2 1 376.548 3.778 20 0 GHADMP CCOc1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164845341 720688980 /nfs/dbraw/zinc/68/89/80/720688980.db2.gz YKAWLKFQKLCCIJ-HXUWFJFHSA-N 2 1 381.520 3.740 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000471382741 837422075 /nfs/dbraw/zinc/42/20/75/837422075.db2.gz HOIAASIZCFOGGV-LJQANCHMSA-N 2 1 397.588 3.525 20 0 GHADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000471382741 837422085 /nfs/dbraw/zinc/42/20/85/837422085.db2.gz HOIAASIZCFOGGV-LJQANCHMSA-N 2 1 397.588 3.525 20 0 GHADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000471382741 837422090 /nfs/dbraw/zinc/42/20/90/837422090.db2.gz HOIAASIZCFOGGV-LJQANCHMSA-N 2 1 397.588 3.525 20 0 GHADMP FC(F)(F)CO[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000613267624 837490775 /nfs/dbraw/zinc/49/07/75/837490775.db2.gz VXZAMZHRKWUEKL-LJQANCHMSA-N 2 1 386.458 3.705 20 0 GHADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000613267624 837490778 /nfs/dbraw/zinc/49/07/78/837490778.db2.gz VXZAMZHRKWUEKL-LJQANCHMSA-N 2 1 386.458 3.705 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000647545722 837493332 /nfs/dbraw/zinc/49/33/32/837493332.db2.gz JSIRQZULFQRBQQ-NHCUHLMSSA-N 2 1 393.531 3.769 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000173141470 837574527 /nfs/dbraw/zinc/57/45/27/837574527.db2.gz CMXGPVFHIDCZEG-IHWFROFDSA-N 2 1 388.556 3.544 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414111304 837586045 /nfs/dbraw/zinc/58/60/45/837586045.db2.gz IVVQCPXBGHDLCS-QWFCFKBJSA-N 2 1 377.960 3.543 20 0 GHADMP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000655691398 837671963 /nfs/dbraw/zinc/67/19/63/837671963.db2.gz AEWACGIOIIOCFJ-PXNSSMCTSA-N 2 1 376.541 3.778 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414393253 837679701 /nfs/dbraw/zinc/67/97/01/837679701.db2.gz NLQPELAZFJDYQR-VGSWGCGISA-N 2 1 388.531 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414393253 837679704 /nfs/dbraw/zinc/67/97/04/837679704.db2.gz NLQPELAZFJDYQR-VGSWGCGISA-N 2 1 388.531 3.546 20 0 GHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655704586 837691997 /nfs/dbraw/zinc/69/19/97/837691997.db2.gz GEBBRUGYGIPBHI-WIYYLYMNSA-N 2 1 391.987 3.708 20 0 GHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655705333 837694991 /nfs/dbraw/zinc/69/49/91/837694991.db2.gz FKVAUOVEVFKCMV-RDJZCZTQSA-N 2 1 386.458 3.706 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879900 834622371 /nfs/dbraw/zinc/62/23/71/834622371.db2.gz JVWPOBMLWSPGGE-DXIQSLLYSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879900 834622375 /nfs/dbraw/zinc/62/23/75/834622375.db2.gz JVWPOBMLWSPGGE-DXIQSLLYSA-N 2 1 375.520 3.971 20 0 GHADMP Fc1cccn2cc(CNC[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)nc12 ZINC000657772231 834679138 /nfs/dbraw/zinc/67/91/38/834679138.db2.gz KUAWSNCPYVZNLI-IBGZPJMESA-N 2 1 378.495 3.865 20 0 GHADMP Fc1cccn2cc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCC4)nc12 ZINC000657772231 834679143 /nfs/dbraw/zinc/67/91/43/834679143.db2.gz KUAWSNCPYVZNLI-IBGZPJMESA-N 2 1 378.495 3.865 20 0 GHADMP Fc1cccn2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)nc12 ZINC000657772231 834679147 /nfs/dbraw/zinc/67/91/47/834679147.db2.gz KUAWSNCPYVZNLI-IBGZPJMESA-N 2 1 378.495 3.865 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000093769498 834703927 /nfs/dbraw/zinc/70/39/27/834703927.db2.gz XWRBCSCMAHYBHV-UHFFFAOYSA-N 2 1 388.581 3.776 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000093769420 834703958 /nfs/dbraw/zinc/70/39/58/834703958.db2.gz NLHGUOMNCGZZGD-UHFFFAOYSA-N 2 1 376.570 3.709 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773343 834722252 /nfs/dbraw/zinc/72/22/52/834722252.db2.gz QQJXAGKCYPGSES-KRWDZBQOSA-N 2 1 392.469 3.831 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773343 834722255 /nfs/dbraw/zinc/72/22/55/834722255.db2.gz QQJXAGKCYPGSES-KRWDZBQOSA-N 2 1 392.469 3.831 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([C@@H](C)C(F)(F)F)cc3)C2)CC1 ZINC000579796533 834777693 /nfs/dbraw/zinc/77/76/93/834777693.db2.gz KCYMXXILUSAMAY-XLIONFOSSA-N 2 1 383.502 3.953 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc([C@H](C)C(F)(F)F)cc3)C2)CC1 ZINC000579796531 834777834 /nfs/dbraw/zinc/77/78/34/834777834.db2.gz KCYMXXILUSAMAY-PXNSSMCTSA-N 2 1 383.502 3.953 20 0 GHADMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCCCC3)CC2)cs1 ZINC000092278238 834839813 /nfs/dbraw/zinc/83/98/13/834839813.db2.gz UGHCVLPFUAREBJ-UHFFFAOYSA-N 2 1 377.602 3.545 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1)C1CCCCC1 ZINC000128242131 834866736 /nfs/dbraw/zinc/86/67/36/834866736.db2.gz RSFSMRSTVDHIKV-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000128242131 834866746 /nfs/dbraw/zinc/86/67/46/834866746.db2.gz RSFSMRSTVDHIKV-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000128242131 834866758 /nfs/dbraw/zinc/86/67/58/834866758.db2.gz RSFSMRSTVDHIKV-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000657881528 834888399 /nfs/dbraw/zinc/88/83/99/834888399.db2.gz SZWWBCQCLXWLQL-RBUKOAKNSA-N 2 1 383.374 3.597 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000511265411 834908485 /nfs/dbraw/zinc/90/84/85/834908485.db2.gz KXGDANXLZMPJIS-LJQANCHMSA-N 2 1 384.568 3.512 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](Cc4ccc5cnccc5c4)CC3)C2)cc1 ZINC000685441988 835010877 /nfs/dbraw/zinc/01/08/77/835010877.db2.gz RTGOVODJCABUNV-VWLOTQADSA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4ccc5cnccc5c4)CC3)C2)cc1 ZINC000685441988 835010889 /nfs/dbraw/zinc/01/08/89/835010889.db2.gz RTGOVODJCABUNV-VWLOTQADSA-N 2 1 386.543 3.627 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000685442077 835011800 /nfs/dbraw/zinc/01/18/00/835011800.db2.gz QEKLYBOUGVVKBQ-WXFUMESZSA-N 2 1 380.532 3.632 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457831 835022881 /nfs/dbraw/zinc/02/28/81/835022881.db2.gz PMQWRLHFJPUEHL-INIZCTEOSA-N 2 1 387.902 3.542 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000685463147 835029512 /nfs/dbraw/zinc/02/95/12/835029512.db2.gz RMPQBXDBJZRRMS-INIZCTEOSA-N 2 1 391.357 3.569 20 0 GHADMP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000685463147 835029522 /nfs/dbraw/zinc/02/95/22/835029522.db2.gz RMPQBXDBJZRRMS-INIZCTEOSA-N 2 1 391.357 3.569 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000130723346 835091418 /nfs/dbraw/zinc/09/14/18/835091418.db2.gz DBAIJICPKQGGRW-CQSZACIVSA-N 2 1 393.329 3.612 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000130723346 835091429 /nfs/dbraw/zinc/09/14/29/835091429.db2.gz DBAIJICPKQGGRW-CQSZACIVSA-N 2 1 393.329 3.612 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000430234506 835301306 /nfs/dbraw/zinc/30/13/06/835301306.db2.gz AJAXJTBGISMQQC-FQEVSTJZSA-N 2 1 381.568 3.803 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000430234506 835301313 /nfs/dbraw/zinc/30/13/13/835301313.db2.gz AJAXJTBGISMQQC-FQEVSTJZSA-N 2 1 381.568 3.803 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000583962233 835301728 /nfs/dbraw/zinc/30/17/28/835301728.db2.gz KACLIMRJSSYMBH-KAKDDGLXSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000583962233 835301737 /nfs/dbraw/zinc/30/17/37/835301737.db2.gz KACLIMRJSSYMBH-KAKDDGLXSA-N 2 1 399.623 3.502 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000583989780 835366815 /nfs/dbraw/zinc/36/68/15/835366815.db2.gz PXYYEOBYBPFJPR-UCBGAZFYSA-N 2 1 394.559 3.828 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)NC(=O)OC(C)(C)C ZINC000309791714 835373542 /nfs/dbraw/zinc/37/35/42/835373542.db2.gz OUFFJBACVOGNHX-LXZJYRNTSA-N 2 1 375.557 3.788 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151369443 835404961 /nfs/dbraw/zinc/40/49/61/835404961.db2.gz YKBMDNUNNKAKSX-QHCPKHFHSA-N 2 1 386.511 3.555 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000658068150 835406968 /nfs/dbraw/zinc/40/69/68/835406968.db2.gz BOUUVTWQFDAOMZ-ZVDOUQERSA-N 2 1 394.003 3.893 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OCC ZINC000658141612 835452254 /nfs/dbraw/zinc/45/22/54/835452254.db2.gz SNGVLDAPOREABS-PGRDOPGGSA-N 2 1 398.547 3.901 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658142869 835452887 /nfs/dbraw/zinc/45/28/87/835452887.db2.gz ZMAHFTMQAGXVRT-XPWALMASSA-N 2 1 379.548 3.773 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000658144706 835455757 /nfs/dbraw/zinc/45/57/57/835455757.db2.gz NPKOTPVZVFUKRX-LEWJYISDSA-N 2 1 384.520 3.511 20 0 GHADMP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658231171 835515404 /nfs/dbraw/zinc/51/54/04/835515404.db2.gz ANBPMPYFUPITGA-DTLGGHNDSA-N 2 1 378.564 3.917 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000647321116 835540228 /nfs/dbraw/zinc/54/02/28/835540228.db2.gz XZGUJAMAPGRMGG-QYZOEREBSA-N 2 1 378.582 3.656 20 0 GHADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000658319982 835573199 /nfs/dbraw/zinc/57/31/99/835573199.db2.gz KVHHMQKWJKIOMG-CTNGQTDRSA-N 2 1 379.548 3.913 20 0 GHADMP C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000584213130 835767771 /nfs/dbraw/zinc/76/77/71/835767771.db2.gz ZHONXLSRBWDQQD-HRQSHJORSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H](O)[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000584213130 835767779 /nfs/dbraw/zinc/76/77/79/835767779.db2.gz ZHONXLSRBWDQQD-HRQSHJORSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H](O)[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000584213130 835767788 /nfs/dbraw/zinc/76/77/88/835767788.db2.gz ZHONXLSRBWDQQD-HRQSHJORSA-N 2 1 394.987 3.526 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000109311155 835797404 /nfs/dbraw/zinc/79/74/04/835797404.db2.gz CZXAHURVIKCSNN-PKTZIBPZSA-N 2 1 379.548 3.626 20 0 GHADMP C[C@H](c1ccccc1F)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471219401 835942880 /nfs/dbraw/zinc/94/28/80/835942880.db2.gz HTWUSCDSVIOAHA-LJQANCHMSA-N 2 1 397.538 3.847 20 0 GHADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCCCCCCCC(=O)OC)CC1 ZINC001209097932 836009301 /nfs/dbraw/zinc/00/93/01/836009301.db2.gz NWFUMHRSZKMRPI-NRFANRHFSA-N 2 1 382.589 3.855 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCCCCCCCC(=O)OC)CC1 ZINC001209097932 836009313 /nfs/dbraw/zinc/00/93/13/836009313.db2.gz NWFUMHRSZKMRPI-NRFANRHFSA-N 2 1 382.589 3.855 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000431646664 836048481 /nfs/dbraw/zinc/04/84/81/836048481.db2.gz DUDBZYKJZAKFAJ-HXUWFJFHSA-N 2 1 380.621 3.698 20 0 GHADMP CC[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000413791196 836339364 /nfs/dbraw/zinc/33/93/64/836339364.db2.gz LEFDGRDDGPWMHC-YGDSSSOMSA-N 2 1 377.960 3.710 20 0 GHADMP C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483516 844154383 /nfs/dbraw/zinc/15/43/83/844154383.db2.gz BSENCGMYQNBULP-IFMALSPDSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@@H](NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483516 844154388 /nfs/dbraw/zinc/15/43/88/844154388.db2.gz BSENCGMYQNBULP-IFMALSPDSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@@H](NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483516 844154394 /nfs/dbraw/zinc/15/43/94/844154394.db2.gz BSENCGMYQNBULP-IFMALSPDSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[NH+](C)CCc2ccccc2)cc1 ZINC000613449921 836413705 /nfs/dbraw/zinc/41/37/05/836413705.db2.gz ANFINBPZVVRFAN-NRFANRHFSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000613449921 836413711 /nfs/dbraw/zinc/41/37/11/836413711.db2.gz ANFINBPZVVRFAN-NRFANRHFSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000613449921 836413719 /nfs/dbraw/zinc/41/37/19/836413719.db2.gz ANFINBPZVVRFAN-NRFANRHFSA-N 2 1 393.575 3.852 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000892506666 836480927 /nfs/dbraw/zinc/48/09/27/836480927.db2.gz IDDVRLCRTNELHR-UHFFFAOYSA-N 2 1 387.549 3.842 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000246966706 836496790 /nfs/dbraw/zinc/49/67/90/836496790.db2.gz PVNXUJJZJDYDPG-GGAORHGYSA-N 2 1 379.548 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000246966706 836496793 /nfs/dbraw/zinc/49/67/93/836496793.db2.gz PVNXUJJZJDYDPG-GGAORHGYSA-N 2 1 379.548 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000246966706 836496796 /nfs/dbraw/zinc/49/67/96/836496796.db2.gz PVNXUJJZJDYDPG-GGAORHGYSA-N 2 1 379.548 3.660 20 0 GHADMP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](CCn1cc[nH+]c1C)CC2 ZINC000535666182 844189560 /nfs/dbraw/zinc/18/95/60/844189560.db2.gz PUAYTFZMRUMSMO-OAQYLSRUSA-N 2 1 383.517 3.918 20 0 GHADMP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCn1cc[nH+]c1C)CC2 ZINC000535666182 844189563 /nfs/dbraw/zinc/18/95/63/844189563.db2.gz PUAYTFZMRUMSMO-OAQYLSRUSA-N 2 1 383.517 3.918 20 0 GHADMP CC[C@H](C)C[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431676672 836693276 /nfs/dbraw/zinc/69/32/76/836693276.db2.gz RUMDSAAWVSUYQQ-RBUKOAKNSA-N 2 1 380.621 3.649 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000510931605 844202584 /nfs/dbraw/zinc/20/25/84/844202584.db2.gz SRPZCMZMBDCFKQ-INIZCTEOSA-N 2 1 375.538 3.649 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC[C@H]1[NH3+] ZINC000647497731 837051887 /nfs/dbraw/zinc/05/18/87/837051887.db2.gz SVVOFFBBOKMEPD-DENIHFKCSA-N 2 1 378.520 3.781 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC001266470584 837115716 /nfs/dbraw/zinc/11/57/16/837115716.db2.gz SWJFDLPZXRZMKD-QHCPKHFHSA-N 2 1 383.580 3.826 20 0 GHADMP CSc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000685848041 837269823 /nfs/dbraw/zinc/26/98/23/837269823.db2.gz TWTRAMLQOOMQLM-HZPDHXFCSA-N 2 1 384.611 3.560 20 0 GHADMP C[C@@H](NCc1ccc(N2CCN(C)CC2)nc1)c1csc(-c2ccccc2)n1 ZINC000414060252 837311111 /nfs/dbraw/zinc/31/11/11/837311111.db2.gz JGKQHKKHGGRFMI-QGZVFWFLSA-N 2 1 393.560 3.808 20 0 GHADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCCCC1 ZINC000605593154 837959464 /nfs/dbraw/zinc/95/94/64/837959464.db2.gz BTLKMNZBZLYEFP-UHFFFAOYSA-N 2 1 382.346 3.632 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000047791918 837960321 /nfs/dbraw/zinc/96/03/21/837960321.db2.gz HTCIWVFJPBMKQC-OAQYLSRUSA-N 2 1 398.551 3.614 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(Cl)c1 ZINC000576349818 844279986 /nfs/dbraw/zinc/27/99/86/844279986.db2.gz GVMOBNYVACUYPC-HXUWFJFHSA-N 2 1 385.939 3.636 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(Cl)c1 ZINC000576349818 844279995 /nfs/dbraw/zinc/27/99/95/844279995.db2.gz GVMOBNYVACUYPC-HXUWFJFHSA-N 2 1 385.939 3.636 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1Br ZINC000579954821 838031315 /nfs/dbraw/zinc/03/13/15/838031315.db2.gz XYAAMLUBLFRCCL-GYABFAJESA-N 2 1 394.357 3.603 20 0 GHADMP C[N@H+](CCCO)C1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000549801257 844303394 /nfs/dbraw/zinc/30/33/94/844303394.db2.gz DSNZFGKZXUSXFW-UHFFFAOYSA-N 2 1 388.502 3.875 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000549801257 844303403 /nfs/dbraw/zinc/30/34/03/844303403.db2.gz DSNZFGKZXUSXFW-UHFFFAOYSA-N 2 1 388.502 3.875 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000415925520 838277160 /nfs/dbraw/zinc/27/71/60/838277160.db2.gz AWWCGLAXOHCYPT-SFHVURJKSA-N 2 1 380.536 3.960 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000415935743 838289126 /nfs/dbraw/zinc/28/91/26/838289126.db2.gz VJKPJYFKBFIRJV-FCHUYYIVSA-N 2 1 392.547 3.782 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000415938070 838290470 /nfs/dbraw/zinc/29/04/70/838290470.db2.gz YCQWABRTMNZPOX-JOCHJYFZSA-N 2 1 380.536 3.610 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415939315 838291219 /nfs/dbraw/zinc/29/12/19/838291219.db2.gz QNMXULTYJJZBON-RXVVDRJESA-N 2 1 396.535 3.541 20 0 GHADMP CCN(C(=O)Nc1ccc(OCC[NH3+])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415949090 838305020 /nfs/dbraw/zinc/30/50/20/838305020.db2.gz VTKPNFOWMPJVDN-GHTZIAJQSA-N 2 1 396.535 3.713 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000122672164 838340357 /nfs/dbraw/zinc/34/03/57/838340357.db2.gz GHIINUUQDARVNE-IAGOWNOFSA-N 2 1 383.517 3.694 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000416156387 838643632 /nfs/dbraw/zinc/64/36/32/838643632.db2.gz OYMMTHSIDHVHMD-NNMXDRDESA-N 2 1 385.577 3.940 20 0 GHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000376740483 838683965 /nfs/dbraw/zinc/68/39/65/838683965.db2.gz VOEHYCWZACQRTD-AWEZNQCLSA-N 2 1 391.541 3.678 20 0 GHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000376740483 838683970 /nfs/dbraw/zinc/68/39/70/838683970.db2.gz VOEHYCWZACQRTD-AWEZNQCLSA-N 2 1 391.541 3.678 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000472956094 838780086 /nfs/dbraw/zinc/78/00/86/838780086.db2.gz DRKNAYYYLOFAFN-FXAWDEMLSA-N 2 1 388.581 3.561 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC12CCOCC2 ZINC000580192398 839027845 /nfs/dbraw/zinc/02/78/45/839027845.db2.gz MYSUVGLJBOGDFE-FQEVSTJZSA-N 2 1 384.495 3.592 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549430448 839074439 /nfs/dbraw/zinc/07/44/39/839074439.db2.gz NTMFCRLJKUTSNR-JOCHJYFZSA-N 2 1 377.532 3.534 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415032862 839094832 /nfs/dbraw/zinc/09/48/32/839094832.db2.gz BCMDWERARWJTTD-IAGOWNOFSA-N 2 1 386.458 3.990 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1OCC ZINC000415057579 839128505 /nfs/dbraw/zinc/12/85/05/839128505.db2.gz RRMOBDGVLISJJX-UHFFFAOYSA-N 2 1 389.584 3.570 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000415117033 839230188 /nfs/dbraw/zinc/23/01/88/839230188.db2.gz ZETXIDOTHFMYMQ-IAGOWNOFSA-N 2 1 387.749 3.821 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309738892 839435962 /nfs/dbraw/zinc/43/59/62/839435962.db2.gz RIEMYZALXWLBPN-NJDAHSKKSA-N 2 1 387.568 3.934 20 0 GHADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000549241514 839493566 /nfs/dbraw/zinc/49/35/66/839493566.db2.gz SLYYTGUBJZCVPH-PMACEKPBSA-N 2 1 384.568 3.687 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001167396967 839522461 /nfs/dbraw/zinc/52/24/61/839522461.db2.gz DDNRNRDTSBOFAN-UWJYYQICSA-N 2 1 387.955 3.622 20 0 GHADMP CCc1cc(C)cc(CC)c1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926108814 839620862 /nfs/dbraw/zinc/62/08/62/839620862.db2.gz FLSTYNBZFYPLBV-OYRHEFFESA-N 2 1 384.568 3.552 20 0 GHADMP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000580499318 839694572 /nfs/dbraw/zinc/69/45/72/839694572.db2.gz WMCIQKJZFVSQBG-SDHOMARFSA-N 2 1 386.543 3.932 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635843 839889147 /nfs/dbraw/zinc/88/91/47/839889147.db2.gz DBOFQYFYBWMBJM-XUZZJYLKSA-N 2 1 390.527 3.691 20 0 GHADMP CSc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000580625583 839916810 /nfs/dbraw/zinc/91/68/10/839916810.db2.gz PQOMISDTGSCWLN-IBGZPJMESA-N 2 1 392.613 3.527 20 0 GHADMP C[C@@H](CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473010268 840100773 /nfs/dbraw/zinc/10/07/73/840100773.db2.gz OOKIPEPCJWOUAY-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CCN(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418426284 840197723 /nfs/dbraw/zinc/19/77/23/840197723.db2.gz JGXHHVYBJPPLBH-QIJUGHKUSA-N 2 1 380.536 3.553 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000416997978 840355522 /nfs/dbraw/zinc/35/55/22/840355522.db2.gz WMGXXVFHYRPLJD-USSLWURLSA-N 2 1 398.595 3.589 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417049794 840409634 /nfs/dbraw/zinc/40/96/34/840409634.db2.gz VEDXACRGGZMZIX-PGRDOPGGSA-N 2 1 382.552 3.651 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC(c4ccc(F)cc4)C3)c2)C1 ZINC000127513488 840423387 /nfs/dbraw/zinc/42/33/87/840423387.db2.gz FWJUFIAVIQWGAT-HVIUMASTSA-N 2 1 395.522 3.559 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[NH+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719962 840666589 /nfs/dbraw/zinc/66/65/89/840666589.db2.gz BJYLORHCNGQZQQ-RPWUZVMVSA-N 2 1 391.559 3.862 20 0 GHADMP O[C@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719962 840666592 /nfs/dbraw/zinc/66/65/92/840666592.db2.gz BJYLORHCNGQZQQ-RPWUZVMVSA-N 2 1 391.559 3.862 20 0 GHADMP O[C@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719962 840666597 /nfs/dbraw/zinc/66/65/97/840666597.db2.gz BJYLORHCNGQZQQ-RPWUZVMVSA-N 2 1 391.559 3.862 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000511772649 840699182 /nfs/dbraw/zinc/69/91/82/840699182.db2.gz NAQVKIWGNZBMQJ-YLJYHZDGSA-N 2 1 379.504 3.522 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000511772646 840699305 /nfs/dbraw/zinc/69/93/05/840699305.db2.gz NAQVKIWGNZBMQJ-FXAWDEMLSA-N 2 1 379.504 3.522 20 0 GHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)cc1 ZINC000180964210 844572647 /nfs/dbraw/zinc/57/26/47/844572647.db2.gz CNNRHPCBKSFCMU-UHFFFAOYSA-N 2 1 393.487 3.653 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]21 ZINC000584784177 840853899 /nfs/dbraw/zinc/85/38/99/840853899.db2.gz MYCUTDMYJKACBD-CWRNSKLLSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@@H]21 ZINC000584784177 840853915 /nfs/dbraw/zinc/85/39/15/840853915.db2.gz MYCUTDMYJKACBD-CWRNSKLLSA-N 2 1 376.298 3.663 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000652125083 840888811 /nfs/dbraw/zinc/88/88/11/840888811.db2.gz BMSJTTSOBHWPHS-IBGZPJMESA-N 2 1 394.563 3.780 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067383130 840995682 /nfs/dbraw/zinc/99/56/82/840995682.db2.gz CRSANNKQAZPTER-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000614114146 844612430 /nfs/dbraw/zinc/61/24/30/844612430.db2.gz VPIWWPJLEMBULC-QFIPXVFZSA-N 2 1 393.531 3.639 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000614114144 844612450 /nfs/dbraw/zinc/61/24/50/844612450.db2.gz VPIWWPJLEMBULC-JOCHJYFZSA-N 2 1 393.531 3.639 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH2+]C2CCCCCC2)[C@@H]1c1cccs1 ZINC000417744809 841172318 /nfs/dbraw/zinc/17/23/18/841172318.db2.gz YRYAJTUYLQGKJM-YLJYHZDGSA-N 2 1 392.613 3.743 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430594437 841312966 /nfs/dbraw/zinc/31/29/66/841312966.db2.gz VVMGLAMWILGSQY-GOSISDBHSA-N 2 1 397.519 3.636 20 0 GHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167465565 841493313 /nfs/dbraw/zinc/49/33/13/841493313.db2.gz XMZJWSKJXRUBNR-WPYKKVEZSA-N 2 1 379.548 3.592 20 0 GHADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418110264 841506850 /nfs/dbraw/zinc/50/68/50/841506850.db2.gz WBHUVVMGAYNIML-OFNKIYASSA-N 2 1 394.563 3.631 20 0 GHADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000661384060 841687527 /nfs/dbraw/zinc/68/75/27/841687527.db2.gz QMMAERPNGCBLTR-UHFFFAOYSA-N 2 1 399.410 3.532 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000581579806 841715081 /nfs/dbraw/zinc/71/50/81/841715081.db2.gz QVEOLAVFNFXLLG-GIUYTFSGSA-N 2 1 380.479 3.875 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000581579806 841715090 /nfs/dbraw/zinc/71/50/90/841715090.db2.gz QVEOLAVFNFXLLG-GIUYTFSGSA-N 2 1 380.479 3.875 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192637895 841789722 /nfs/dbraw/zinc/78/97/22/841789722.db2.gz ADWDFJNGNSCBBL-SPEDKVCISA-N 2 1 379.589 3.876 20 0 GHADMP Cn1c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000656784436 841920815 /nfs/dbraw/zinc/92/08/15/841920815.db2.gz AZMIPJZZOZVQKU-HNNXBMFYSA-N 2 1 380.458 3.804 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001167825133 842037960 /nfs/dbraw/zinc/03/79/60/842037960.db2.gz RFGWOZXYMFQTQJ-AKIFATBCSA-N 2 1 389.584 3.732 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001167828142 842104885 /nfs/dbraw/zinc/10/48/85/842104885.db2.gz WQPCQFKEFQMNIK-VGSWGCGISA-N 2 1 393.522 3.904 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H]2[C@H](OCc3csc(C)n3)CC[C@@H]21 ZINC001167828395 842117069 /nfs/dbraw/zinc/11/70/69/842117069.db2.gz YDOTVBXVWCOIOT-VRXWPRPYSA-N 2 1 395.613 3.710 20 0 GHADMP CCN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000663560738 842183118 /nfs/dbraw/zinc/18/31/18/842183118.db2.gz AQXBBXOPPMQNIF-QFIPXVFZSA-N 2 1 394.563 3.651 20 0 GHADMP C(C[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878175 842268862 /nfs/dbraw/zinc/26/88/62/842268862.db2.gz LZJDMQVJZSGVKN-SSGKUCQKSA-N 2 1 378.601 3.939 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564600 842288541 /nfs/dbraw/zinc/28/85/41/842288541.db2.gz WOXPOJGQEBTHKV-DENIHFKCSA-N 2 1 399.579 3.603 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000652347751 842318565 /nfs/dbraw/zinc/31/85/65/842318565.db2.gz KRWPKNNCDVGILX-QZNHQXDQSA-N 2 1 393.531 3.657 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000623655190 861298397 /nfs/dbraw/zinc/29/83/97/861298397.db2.gz QPSZYTWEKXIYFY-IBGZPJMESA-N 2 1 375.520 3.756 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CCCO1 ZINC000432409782 842401563 /nfs/dbraw/zinc/40/15/63/842401563.db2.gz IXQXJXPAIMPZEE-YJBOKZPZSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CCCO1 ZINC000432409782 842401567 /nfs/dbraw/zinc/40/15/67/842401567.db2.gz IXQXJXPAIMPZEE-YJBOKZPZSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414810 842420284 /nfs/dbraw/zinc/42/02/84/842420284.db2.gz MHBFYJYIFSTVSK-HUUCEWRRSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414810 842420288 /nfs/dbraw/zinc/42/02/88/842420288.db2.gz MHBFYJYIFSTVSK-HUUCEWRRSA-N 2 1 387.337 3.610 20 0 GHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1OC ZINC000474893569 861326847 /nfs/dbraw/zinc/32/68/47/861326847.db2.gz YEYDZVUCBBNYHZ-OALUTQOASA-N 2 1 390.568 3.821 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652568945 842760138 /nfs/dbraw/zinc/76/01/38/842760138.db2.gz ZHMQJEPBKHYHNJ-AVRDEDQJSA-N 2 1 381.524 3.648 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000471835683 842771664 /nfs/dbraw/zinc/77/16/64/842771664.db2.gz VXQKSGKGACZXDU-DENIHFKCSA-N 2 1 390.531 3.550 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430820858 843024234 /nfs/dbraw/zinc/02/42/34/843024234.db2.gz JUIOSQHOUZDPNX-AKIFATBCSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430820858 843024247 /nfs/dbraw/zinc/02/42/47/843024247.db2.gz JUIOSQHOUZDPNX-AKIFATBCSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430820858 843024260 /nfs/dbraw/zinc/02/42/60/843024260.db2.gz JUIOSQHOUZDPNX-AKIFATBCSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430820858 843024271 /nfs/dbraw/zinc/02/42/71/843024271.db2.gz JUIOSQHOUZDPNX-AKIFATBCSA-N 2 1 382.548 3.720 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3oc4ccccc4c3Br)C2)C1 ZINC000662286897 843074811 /nfs/dbraw/zinc/07/48/11/843074811.db2.gz SZFLIKRALKGZKO-CPUCHLNUSA-N 2 1 393.325 3.914 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccs1 ZINC000662297881 843089428 /nfs/dbraw/zinc/08/94/28/843089428.db2.gz SPSNZAVIPMSNIF-YLJYHZDGSA-N 2 1 377.598 3.663 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000548392798 843100094 /nfs/dbraw/zinc/10/00/94/843100094.db2.gz ZZTHIKCTJKKDTR-LADGPHEKSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC(=O)CC[N@H+](C)C3CCCCC3)CC[NH+]2C2CC2)c1 ZINC000548392798 843100101 /nfs/dbraw/zinc/10/01/01/843100101.db2.gz ZZTHIKCTJKKDTR-LADGPHEKSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)CC[NH+]2C2CC2)c1 ZINC000548392798 843100111 /nfs/dbraw/zinc/10/01/11/843100111.db2.gz ZZTHIKCTJKKDTR-LADGPHEKSA-N 2 1 399.579 3.744 20 0 GHADMP Cc1cc(OCCC[C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1Cl ZINC000510654685 843137938 /nfs/dbraw/zinc/13/79/38/843137938.db2.gz APJUNGPFICSHPR-IBGZPJMESA-N 2 1 381.992 3.813 20 0 GHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccccc1F ZINC000512236087 843175058 /nfs/dbraw/zinc/17/50/58/843175058.db2.gz FGJFOZPERJOGHQ-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1ccccc1F ZINC000512236087 843175065 /nfs/dbraw/zinc/17/50/65/843175065.db2.gz FGJFOZPERJOGHQ-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1ccccc1F ZINC000512236087 843175073 /nfs/dbraw/zinc/17/50/73/843175073.db2.gz FGJFOZPERJOGHQ-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccccc2Br)c1 ZINC000662379899 843179419 /nfs/dbraw/zinc/17/94/19/843179419.db2.gz FRFAXLGPRLHHKU-SFHVURJKSA-N 2 1 390.325 3.929 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc4c(s3)CC[NH2+]C4)cc2)C1 ZINC000662388847 843185227 /nfs/dbraw/zinc/18/52/27/843185227.db2.gz UUEHJWBCGRAMNH-INIZCTEOSA-N 2 1 383.561 3.556 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 ZINC000512259274 843249959 /nfs/dbraw/zinc/24/99/59/843249959.db2.gz IQUGFAPDLPORQH-LJQANCHMSA-N 2 1 389.584 3.659 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCCc2ccccc21 ZINC000432655181 843357170 /nfs/dbraw/zinc/35/71/70/843357170.db2.gz MNUWWPWTFVLONJ-NRFANRHFSA-N 2 1 395.572 3.672 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCCc2ccccc21 ZINC000432655181 843357179 /nfs/dbraw/zinc/35/71/79/843357179.db2.gz MNUWWPWTFVLONJ-NRFANRHFSA-N 2 1 395.572 3.672 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cccc(F)c1 ZINC000432672827 843405984 /nfs/dbraw/zinc/40/59/84/843405984.db2.gz VBWRXATVBBUYJX-LJQANCHMSA-N 2 1 387.524 3.860 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1 ZINC000431052643 843503096 /nfs/dbraw/zinc/50/30/96/843503096.db2.gz YWJYAODTPDAMKV-UHFFFAOYSA-N 2 1 392.547 3.760 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675181 843513617 /nfs/dbraw/zinc/51/36/17/843513617.db2.gz KDARGATYTBFIAS-YCRPNKLZSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675181 843513624 /nfs/dbraw/zinc/51/36/24/843513624.db2.gz KDARGATYTBFIAS-YCRPNKLZSA-N 2 1 387.474 3.513 20 0 GHADMP CCC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000431067490 843517375 /nfs/dbraw/zinc/51/73/75/843517375.db2.gz FEPGXAIWMXWHCK-QFIPXVFZSA-N 2 1 385.577 3.726 20 0 GHADMP CCC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000431067490 843517380 /nfs/dbraw/zinc/51/73/80/843517380.db2.gz FEPGXAIWMXWHCK-QFIPXVFZSA-N 2 1 385.577 3.726 20 0 GHADMP CCN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418681273 843529930 /nfs/dbraw/zinc/52/99/30/843529930.db2.gz VKDMJOCJAPZRMR-PKTZIBPZSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418684952 843532006 /nfs/dbraw/zinc/53/20/06/843532006.db2.gz YSOPKXFVLMBLKO-OFNKIYASSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182378727 843544007 /nfs/dbraw/zinc/54/40/07/843544007.db2.gz YIBYYZGRJCCDJA-FPOVZHCZSA-N 2 1 398.595 3.735 20 0 GHADMP CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000603942323 861429157 /nfs/dbraw/zinc/42/91/57/861429157.db2.gz IDWZLZCTWQQEOJ-DEOSSOPVSA-N 2 1 391.559 3.908 20 0 GHADMP c1ncc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1C[NH+]1CCSC[C@H]1C1CC1 ZINC000581984830 843707544 /nfs/dbraw/zinc/70/75/44/843707544.db2.gz PMMLKEYPBJDEQY-OYRHEFFESA-N 2 1 389.634 3.736 20 0 GHADMP c1ncc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1C[NH+]1CCSC[C@@H]1C1CC1 ZINC000581984830 843707550 /nfs/dbraw/zinc/70/75/50/843707550.db2.gz PMMLKEYPBJDEQY-OYRHEFFESA-N 2 1 389.634 3.736 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001167822217 843721963 /nfs/dbraw/zinc/72/19/63/843721963.db2.gz HIWWFLRGTURFSB-ACIOBRDBSA-N 2 1 389.584 3.732 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512637506 844849364 /nfs/dbraw/zinc/84/93/64/844849364.db2.gz WLZNHJWNJWDNOW-TZRRMPRUSA-N 2 1 391.559 3.827 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513212858 845055887 /nfs/dbraw/zinc/05/58/87/845055887.db2.gz RCXZNWPJQVJVAV-WBVHZDCISA-N 2 1 393.457 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000513212858 845055896 /nfs/dbraw/zinc/05/58/96/845055896.db2.gz RCXZNWPJQVJVAV-WBVHZDCISA-N 2 1 393.457 3.550 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000509913247 845103379 /nfs/dbraw/zinc/10/33/79/845103379.db2.gz OPCSGDXISLLZGS-KRWDZBQOSA-N 2 1 379.504 3.653 20 0 GHADMP FC(F)(F)c1ccnc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000549877633 845241378 /nfs/dbraw/zinc/24/13/78/845241378.db2.gz TWZLYDILTIEQPP-UHFFFAOYSA-N 2 1 377.454 3.940 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1Cc1ccccc1 ZINC000513331678 845253660 /nfs/dbraw/zinc/25/36/60/845253660.db2.gz VAQNPDVNRKCQOZ-MISYRCLQSA-N 2 1 384.955 3.956 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1Cc1ccccc1 ZINC000513331678 845253671 /nfs/dbraw/zinc/25/36/71/845253671.db2.gz VAQNPDVNRKCQOZ-MISYRCLQSA-N 2 1 384.955 3.956 20 0 GHADMP Brc1cc(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)on1 ZINC001167498713 845293918 /nfs/dbraw/zinc/29/39/18/845293918.db2.gz KKRJEIVCJMRTET-ZDUSSCGKSA-N 2 1 390.285 3.714 20 0 GHADMP CSc1ccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179395156 861562528 /nfs/dbraw/zinc/56/25/28/861562528.db2.gz ADHVXJIAVMHLNQ-UHFFFAOYSA-N 2 1 398.576 3.981 20 0 GHADMP COc1cccc(NC(=O)CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179393911 861563375 /nfs/dbraw/zinc/56/33/75/861563375.db2.gz XNPBFMBTRSPYCD-UHFFFAOYSA-N 2 1 396.535 3.657 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCc4ccc(C)cc4)cc3)C2)CC1 ZINC000093133264 845492433 /nfs/dbraw/zinc/49/24/33/845492433.db2.gz VMDSQGJTABWFLY-XMMPIXPASA-N 2 1 393.575 3.786 20 0 GHADMP CC(C)C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000509931407 845599576 /nfs/dbraw/zinc/59/95/76/845599576.db2.gz RPRBBINUNYVVOD-ICSRJNTNSA-N 2 1 399.501 3.534 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000150287190 845745728 /nfs/dbraw/zinc/74/57/28/845745728.db2.gz KOUZWKRTIHTJBT-KRWDZBQOSA-N 2 1 389.565 3.825 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1F ZINC001167507806 845753855 /nfs/dbraw/zinc/75/38/55/845753855.db2.gz BAXRFVQWYXDYHI-IBGZPJMESA-N 2 1 392.563 3.805 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC001167507806 845753863 /nfs/dbraw/zinc/75/38/63/845753863.db2.gz BAXRFVQWYXDYHI-IBGZPJMESA-N 2 1 392.563 3.805 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC001167507806 845753869 /nfs/dbraw/zinc/75/38/69/845753869.db2.gz BAXRFVQWYXDYHI-IBGZPJMESA-N 2 1 392.563 3.805 20 0 GHADMP CC(C)C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccn1 ZINC000156892173 845760939 /nfs/dbraw/zinc/76/09/39/845760939.db2.gz MLEGIVMKWXMHKA-JTHBVZDNSA-N 2 1 394.563 3.656 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421338818 846169943 /nfs/dbraw/zinc/16/99/43/846169943.db2.gz DPZSDJXPSLUZOB-UHFFFAOYSA-N 2 1 385.552 3.550 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)Cc3ccc(OC)c(F)c3)CC2)CC1 ZINC000421373027 846185469 /nfs/dbraw/zinc/18/54/69/846185469.db2.gz LZMXMCLAEMJFPM-IBGZPJMESA-N 2 1 391.575 3.505 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1)C1CC1 ZINC000511068664 846256286 /nfs/dbraw/zinc/25/62/86/846256286.db2.gz DJLVSYXJLXRJOF-UHFFFAOYSA-N 2 1 391.559 3.937 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1)C1CC1 ZINC000511068664 846256292 /nfs/dbraw/zinc/25/62/92/846256292.db2.gz DJLVSYXJLXRJOF-UHFFFAOYSA-N 2 1 391.559 3.937 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC000657335719 846328579 /nfs/dbraw/zinc/32/85/79/846328579.db2.gz UGJBASNTSDOSBX-LADGPHEKSA-N 2 1 380.532 3.856 20 0 GHADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657354136 846472682 /nfs/dbraw/zinc/47/26/82/846472682.db2.gz QNLJDGRKJPZBOW-SFHVURJKSA-N 2 1 388.353 3.807 20 0 GHADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657354136 846472686 /nfs/dbraw/zinc/47/26/86/846472686.db2.gz QNLJDGRKJPZBOW-SFHVURJKSA-N 2 1 388.353 3.807 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(COC)cs3)CC2)cs1 ZINC000657358422 846500662 /nfs/dbraw/zinc/50/06/62/846500662.db2.gz WGUHOXMQQDVUAR-UHFFFAOYSA-N 2 1 379.595 3.915 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000502842277 846534877 /nfs/dbraw/zinc/53/48/77/846534877.db2.gz JEUCPBMLZHYPAU-NJDAHSKKSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000501022393 846557293 /nfs/dbraw/zinc/55/72/93/846557293.db2.gz JDIVDBMENXVNFE-FXAWDEMLSA-N 2 1 392.975 3.508 20 0 GHADMP Cc1cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)n1C1CC1 ZINC000501056353 846587787 /nfs/dbraw/zinc/58/77/87/846587787.db2.gz YZIRMOIIFMRERJ-UHFFFAOYSA-N 2 1 380.536 3.866 20 0 GHADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501052685 846603576 /nfs/dbraw/zinc/60/35/76/846603576.db2.gz LKQQSHKXZRPHGR-QGZVFWFLSA-N 2 1 384.499 3.705 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c(N2CCCC2)[nH+]1 ZINC000684795904 846646101 /nfs/dbraw/zinc/64/61/01/846646101.db2.gz WILQAGDKRGKEOA-NRFANRHFSA-N 2 1 399.583 3.587 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c(N2CCCC2)[nH+]1 ZINC000684795904 846646112 /nfs/dbraw/zinc/64/61/12/846646112.db2.gz WILQAGDKRGKEOA-NRFANRHFSA-N 2 1 399.583 3.587 20 0 GHADMP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000502963520 846667622 /nfs/dbraw/zinc/66/76/22/846667622.db2.gz ZNUUANXLMFMIET-WOJBJXKFSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000503100549 846796780 /nfs/dbraw/zinc/79/67/80/846796780.db2.gz CQSVSSFZOJLHIH-VQIMIIECSA-N 2 1 380.964 3.506 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000503100549 846796785 /nfs/dbraw/zinc/79/67/85/846796785.db2.gz CQSVSSFZOJLHIH-VQIMIIECSA-N 2 1 380.964 3.506 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)[C@@H](C)C1 ZINC000481576084 861737662 /nfs/dbraw/zinc/73/76/62/861737662.db2.gz RIUBSUDYSUAYBG-GOEBONIOSA-N 2 1 389.403 3.780 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)N1CCOCC1 ZINC000582368926 846969986 /nfs/dbraw/zinc/96/99/86/846969986.db2.gz VUPBFGTVECJQFU-UGKGYDQZSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000582368926 846969991 /nfs/dbraw/zinc/96/99/91/846969991.db2.gz VUPBFGTVECJQFU-UGKGYDQZSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000582368926 846970003 /nfs/dbraw/zinc/97/00/03/846970003.db2.gz VUPBFGTVECJQFU-UGKGYDQZSA-N 2 1 393.531 3.540 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272222074 847020806 /nfs/dbraw/zinc/02/08/06/847020806.db2.gz CFLMPZNZLMMFID-QFIPXVFZSA-N 2 1 397.544 3.673 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272276495 847035588 /nfs/dbraw/zinc/03/55/88/847035588.db2.gz CJVUKVYULNNJRQ-IRLDBZIGSA-N 2 1 378.564 3.546 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCCCC1 ZINC000501593114 847045961 /nfs/dbraw/zinc/04/59/61/847045961.db2.gz KWFUTBUKFSSSAF-IBGZPJMESA-N 2 1 392.613 3.839 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCCCC1 ZINC000501593115 847046391 /nfs/dbraw/zinc/04/63/91/847046391.db2.gz KWFUTBUKFSSSAF-LJQANCHMSA-N 2 1 392.613 3.839 20 0 GHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000272392076 847067813 /nfs/dbraw/zinc/06/78/13/847067813.db2.gz HMWYZCYUDAYCMN-JOZNFPNDSA-N 2 1 389.543 3.864 20 0 GHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000272392076 847067817 /nfs/dbraw/zinc/06/78/17/847067817.db2.gz HMWYZCYUDAYCMN-JOZNFPNDSA-N 2 1 389.543 3.864 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000420378700 847147767 /nfs/dbraw/zinc/14/77/67/847147767.db2.gz BKXTXUJPXUOMTA-TXTKFYIRSA-N 2 1 397.588 3.808 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513774218 847148212 /nfs/dbraw/zinc/14/82/12/847148212.db2.gz WOMBOVAXPBMVRP-XXBNENTESA-N 2 1 379.548 3.921 20 0 GHADMP C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272897238 847202397 /nfs/dbraw/zinc/20/23/97/847202397.db2.gz JEPKHAWLXMYWGX-UGKGYDQZSA-N 2 1 383.580 3.668 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857142 847282318 /nfs/dbraw/zinc/28/23/18/847282318.db2.gz UHPPLEOLJRFRRP-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000582453355 847286754 /nfs/dbraw/zinc/28/67/54/847286754.db2.gz GQCZENQWTKIZJV-IRXDYDNUSA-N 2 1 395.613 3.531 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc(O)cc(F)c3)CC2)c1C ZINC000582454411 847295750 /nfs/dbraw/zinc/29/57/50/847295750.db2.gz YRZBPRHNEQBCDA-UHFFFAOYSA-N 2 1 387.499 3.648 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc(O)cc(F)c3)CC2)c1C ZINC000582454411 847295758 /nfs/dbraw/zinc/29/57/58/847295758.db2.gz YRZBPRHNEQBCDA-UHFFFAOYSA-N 2 1 387.499 3.648 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000501951507 847341344 /nfs/dbraw/zinc/34/13/44/847341344.db2.gz VZVSSTVUUGAGJI-ZJSXRUAMSA-N 2 1 398.595 3.559 20 0 GHADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000420927658 847547241 /nfs/dbraw/zinc/54/72/41/847547241.db2.gz BTRWTYOGXXMZMK-DEOSSOPVSA-N 2 1 394.515 3.531 20 0 GHADMP c1ccc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@H]3CCOC[C@@H]23)cc1 ZINC000420970258 847598266 /nfs/dbraw/zinc/59/82/66/847598266.db2.gz ZUBRRFUBVGRQQA-SDHOMARFSA-N 2 1 392.543 3.523 20 0 GHADMP c1ccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@H]3CCOC[C@@H]23)cc1 ZINC000420970258 847598268 /nfs/dbraw/zinc/59/82/68/847598268.db2.gz ZUBRRFUBVGRQQA-SDHOMARFSA-N 2 1 392.543 3.523 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503417404 847681562 /nfs/dbraw/zinc/68/15/62/847681562.db2.gz CMBORUDDCMTFDX-CIAFKFPVSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000422631210 847741236 /nfs/dbraw/zinc/74/12/36/847741236.db2.gz FGYIORPNDZLFAL-MNDCFMPDSA-N 2 1 385.577 3.649 20 0 GHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422800375 847829786 /nfs/dbraw/zinc/82/97/86/847829786.db2.gz ZYXFXPCNMWGJFC-NJSLBKSFSA-N 2 1 380.941 3.548 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000502387684 847833867 /nfs/dbraw/zinc/83/38/67/847833867.db2.gz BYEWAYIULMUHKU-WSTZPKSXSA-N 2 1 384.568 3.588 20 0 GHADMP Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000422881481 847867873 /nfs/dbraw/zinc/86/78/73/847867873.db2.gz NVEAKWZCEUXNIZ-VXKWHMMOSA-N 2 1 381.520 3.762 20 0 GHADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000422950558 847912232 /nfs/dbraw/zinc/91/22/32/847912232.db2.gz YJBUIZBXAYVYGT-USXIJHARSA-N 2 1 397.357 3.867 20 0 GHADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422956997 847915953 /nfs/dbraw/zinc/91/59/53/847915953.db2.gz RVXRAYYJDJDDCE-WMZOPIPTSA-N 2 1 388.309 3.821 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535119 848108752 /nfs/dbraw/zinc/10/87/52/848108752.db2.gz FMSIRSPKPSBJNM-UHFFFAOYSA-N 3 1 387.612 3.625 20 0 GHADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535119 848108760 /nfs/dbraw/zinc/10/87/60/848108760.db2.gz FMSIRSPKPSBJNM-UHFFFAOYSA-N 2 1 387.612 3.625 20 0 GHADMP Cc1cc(Br)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657594607 848286135 /nfs/dbraw/zinc/28/61/35/848286135.db2.gz CFDJIVCQWSOURG-INIZCTEOSA-N 2 1 395.366 3.675 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)cc4cccnc43)cc2)C1 ZINC000657595814 848291782 /nfs/dbraw/zinc/29/17/82/848291782.db2.gz KIJAYRHEDUCSRA-NRFANRHFSA-N 2 1 381.907 3.745 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccncc4)cc3F)cc2)C1 ZINC000657598048 848300364 /nfs/dbraw/zinc/30/03/64/848300364.db2.gz XKLRSBJNXOKJAX-HSZRJFAPSA-N 2 1 391.490 3.744 20 0 GHADMP C[C@H](C[C@@H](O)c1cccs1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121171978 848705502 /nfs/dbraw/zinc/70/55/02/848705502.db2.gz KFAGSDVTAVHILA-OXQOHEQNSA-N 2 1 376.541 3.996 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)CC1 ZINC001167646563 848849518 /nfs/dbraw/zinc/84/95/18/848849518.db2.gz DUOUBXDRAUKEIJ-QFIPXVFZSA-N 2 1 397.950 3.604 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)CC1 ZINC001167646563 848849522 /nfs/dbraw/zinc/84/95/22/848849522.db2.gz DUOUBXDRAUKEIJ-QFIPXVFZSA-N 2 1 397.950 3.604 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3C3CCCCC3)CC2)CC1 ZINC000583279949 849522459 /nfs/dbraw/zinc/52/24/59/849522459.db2.gz WYTNNGOUWWQNCI-JOCHJYFZSA-N 2 1 375.601 3.754 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000155470246 849535833 /nfs/dbraw/zinc/53/58/33/849535833.db2.gz DKBZSGJRJHYWME-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C[NH+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000155470246 849535839 /nfs/dbraw/zinc/53/58/39/849535839.db2.gz DKBZSGJRJHYWME-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C[NH+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000155470246 849535845 /nfs/dbraw/zinc/53/58/45/849535845.db2.gz DKBZSGJRJHYWME-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000583291956 849559651 /nfs/dbraw/zinc/55/96/51/849559651.db2.gz MXKBUDXSBQJZDW-RPBOFIJWSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000583291956 849559655 /nfs/dbraw/zinc/55/96/55/849559655.db2.gz MXKBUDXSBQJZDW-RPBOFIJWSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000583291956 849559663 /nfs/dbraw/zinc/55/96/63/849559663.db2.gz MXKBUDXSBQJZDW-RPBOFIJWSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000583291956 849559668 /nfs/dbraw/zinc/55/96/68/849559668.db2.gz MXKBUDXSBQJZDW-RPBOFIJWSA-N 2 1 386.543 3.885 20 0 GHADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC000150888131 849569251 /nfs/dbraw/zinc/56/92/51/849569251.db2.gz PMUQEWXOWJNCTC-LJQANCHMSA-N 2 1 399.501 3.714 20 0 GHADMP CSc1cc(Br)ccc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750125 849603690 /nfs/dbraw/zinc/60/36/90/849603690.db2.gz AQUDFIOCOHKDRY-INIZCTEOSA-N 2 1 385.371 3.514 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(I)c(Cl)c1 ZINC000503912913 849773312 /nfs/dbraw/zinc/77/33/12/849773312.db2.gz TXPFQJQXALOYIV-ZETOZRRWSA-N 2 1 392.712 3.763 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503912913 849773317 /nfs/dbraw/zinc/77/33/17/849773317.db2.gz TXPFQJQXALOYIV-ZETOZRRWSA-N 2 1 392.712 3.763 20 0 GHADMP CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)c1 ZINC000423389752 849896633 /nfs/dbraw/zinc/89/66/33/849896633.db2.gz OHGGWQAAKQOLAF-CMKODMSKSA-N 2 1 392.952 3.692 20 0 GHADMP CCc1ccc([C@H]2CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC[NH2+]2)cc1 ZINC000505572941 849919116 /nfs/dbraw/zinc/91/91/16/849919116.db2.gz PDNWRTRECWDLSC-HSZRJFAPSA-N 2 1 377.532 3.632 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128305 849925240 /nfs/dbraw/zinc/92/52/40/849925240.db2.gz LMDQNIXJYCOEAZ-SFTDATJTSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2I)CC[NH2+]1 ZINC000414748169 849955860 /nfs/dbraw/zinc/95/58/60/849955860.db2.gz WDNVMPYITHSQLM-JKIFEVAISA-N 2 1 384.305 3.816 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2cccc(Br)c21 ZINC000423523991 849967603 /nfs/dbraw/zinc/96/76/03/849967603.db2.gz WQTLIWYHMGZTME-GKSFYBEXSA-N 2 1 392.385 3.803 20 0 GHADMP C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423876934 850083688 /nfs/dbraw/zinc/08/36/88/850083688.db2.gz SMAFJUPQPFPLAA-VLCRHTCISA-N 2 1 379.548 3.739 20 0 GHADMP CC(C)CN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000668691879 850141212 /nfs/dbraw/zinc/14/12/12/850141212.db2.gz UYVLCQHZKAZCCN-JOCHJYFZSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958501 850273545 /nfs/dbraw/zinc/27/35/45/850273545.db2.gz GAHOWQKYINMNQU-XIBWBMNSSA-N 2 1 377.573 3.817 20 0 GHADMP FC(F)(F)C(F)(F)COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000514831629 850362231 /nfs/dbraw/zinc/36/22/31/850362231.db2.gz PBLUQKMPEMEOLD-DLBZAZTESA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000514831629 850362238 /nfs/dbraw/zinc/36/22/38/850362238.db2.gz PBLUQKMPEMEOLD-DLBZAZTESA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514831629 850362241 /nfs/dbraw/zinc/36/22/41/850362241.db2.gz PBLUQKMPEMEOLD-DLBZAZTESA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514831629 850362247 /nfs/dbraw/zinc/36/22/47/850362247.db2.gz PBLUQKMPEMEOLD-DLBZAZTESA-N 2 1 392.412 3.655 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000424425241 850459521 /nfs/dbraw/zinc/45/95/21/850459521.db2.gz JKVXEPLQNCPPNU-AZUAARDMSA-N 2 1 380.536 3.876 20 0 GHADMP CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622951 850707601 /nfs/dbraw/zinc/70/76/01/850707601.db2.gz FXUYYEDYSROALO-DENIHFKCSA-N 2 1 385.577 3.726 20 0 GHADMP CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622951 850707607 /nfs/dbraw/zinc/70/76/07/850707607.db2.gz FXUYYEDYSROALO-DENIHFKCSA-N 2 1 385.577 3.726 20 0 GHADMP O=c1[nH]c(CC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)nc2ccccc12 ZINC000435690853 850769688 /nfs/dbraw/zinc/76/96/88/850769688.db2.gz DUBFOCJKPPOYLU-IBGZPJMESA-N 2 1 394.544 3.584 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N(C1CC1)C1CCCC1 ZINC000435697804 850779068 /nfs/dbraw/zinc/77/90/68/850779068.db2.gz ZGHBTJNEMIPQJM-HXUWFJFHSA-N 2 1 387.593 3.626 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N(C1CC1)C1CCCC1 ZINC000435697804 850779076 /nfs/dbraw/zinc/77/90/76/850779076.db2.gz ZGHBTJNEMIPQJM-HXUWFJFHSA-N 2 1 387.593 3.626 20 0 GHADMP FC(F)SCc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000061555890 862170374 /nfs/dbraw/zinc/17/03/74/862170374.db2.gz CUNCJMSUHDOGSE-UHFFFAOYSA-N 2 1 395.519 3.643 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487872939 850959958 /nfs/dbraw/zinc/95/99/58/850959958.db2.gz KTKASJMLLMRAGG-PKTZIBPZSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000514122260 851288970 /nfs/dbraw/zinc/28/89/70/851288970.db2.gz GMWKNISGRXVCAC-VAMGGRTRSA-N 2 1 380.621 3.554 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000488276077 851357734 /nfs/dbraw/zinc/35/77/34/851357734.db2.gz AEWNGLPGHIKSLI-AWEZNQCLSA-N 2 1 392.544 3.816 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000550079412 851425008 /nfs/dbraw/zinc/42/50/08/851425008.db2.gz KMKQFOYNVHLWSA-DENIHFKCSA-N 2 1 388.552 3.511 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000473733152 851783775 /nfs/dbraw/zinc/78/37/75/851783775.db2.gz CJLXFCAIRIOVML-UHFFFAOYSA-N 2 1 388.600 3.792 20 0 GHADMP COc1cc2c(cc1C[NH+]1CCC(c3[nH+]cc4n3CCCC4)CC1)O[C@@H](C)C2 ZINC000570268612 851826812 /nfs/dbraw/zinc/82/68/12/851826812.db2.gz RKHXEHAVTVKABE-INIZCTEOSA-N 2 1 381.520 3.931 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000489060210 851975218 /nfs/dbraw/zinc/97/52/18/851975218.db2.gz KUUDXEFRAGSVED-VQTJNVASSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000489068382 851981527 /nfs/dbraw/zinc/98/15/27/851981527.db2.gz HQICDKUJKLDLFD-GJPOJAMWSA-N 2 1 398.595 3.584 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000489790119 852587725 /nfs/dbraw/zinc/58/77/25/852587725.db2.gz RQEUUZJZEKKGHY-STZQEDGTSA-N 2 1 386.584 3.733 20 0 GHADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000489861316 852613773 /nfs/dbraw/zinc/61/37/73/852613773.db2.gz VIFWCJYOMDLADD-CRAIPNDOSA-N 2 1 384.351 3.860 20 0 GHADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000489861316 852613779 /nfs/dbraw/zinc/61/37/79/852613779.db2.gz VIFWCJYOMDLADD-CRAIPNDOSA-N 2 1 384.351 3.860 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000426089595 852658136 /nfs/dbraw/zinc/65/81/36/852658136.db2.gz NJDSVPRMQPHHDR-HSZRJFAPSA-N 2 1 380.536 3.924 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c2ccccc2C1 ZINC000490145947 852769953 /nfs/dbraw/zinc/76/99/53/852769953.db2.gz XFOFQIYPANUSLO-JOCHJYFZSA-N 2 1 392.478 3.903 20 0 GHADMP CC[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000490131682 852784550 /nfs/dbraw/zinc/78/45/50/852784550.db2.gz XOLNDZRTXWRXOU-QFIPXVFZSA-N 2 1 384.543 3.859 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000507352566 852820028 /nfs/dbraw/zinc/82/00/28/852820028.db2.gz KRSFPACBOZJGCK-HSZRJFAPSA-N 2 1 383.511 3.541 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000507352566 852820035 /nfs/dbraw/zinc/82/00/35/852820035.db2.gz KRSFPACBOZJGCK-HSZRJFAPSA-N 2 1 383.511 3.541 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947004 852820379 /nfs/dbraw/zinc/82/03/79/852820379.db2.gz KFKYHZJNZZIODK-YOEHRIQHSA-N 2 1 391.357 3.988 20 0 GHADMP COc1ccc(OCC[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000506008693 852935186 /nfs/dbraw/zinc/93/51/86/852935186.db2.gz DXDTWFWWXXWDAF-UHFFFAOYSA-N 2 1 397.563 3.736 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000490570575 853098031 /nfs/dbraw/zinc/09/80/31/853098031.db2.gz NTLNTONTNHQYCE-FQEVSTJZSA-N 2 1 389.547 3.991 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490605856 853131384 /nfs/dbraw/zinc/13/13/84/853131384.db2.gz WLMZVDDCRLSEDR-FQEVSTJZSA-N 2 1 389.547 3.848 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490605856 853131389 /nfs/dbraw/zinc/13/13/89/853131389.db2.gz WLMZVDDCRLSEDR-FQEVSTJZSA-N 2 1 389.547 3.848 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491039 853193563 /nfs/dbraw/zinc/19/35/63/853193563.db2.gz CJSNQOPERMEKSG-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491039 853193566 /nfs/dbraw/zinc/19/35/66/853193566.db2.gz CJSNQOPERMEKSG-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491039 853193570 /nfs/dbraw/zinc/19/35/70/853193570.db2.gz CJSNQOPERMEKSG-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491039 853193573 /nfs/dbraw/zinc/19/35/73/853193573.db2.gz CJSNQOPERMEKSG-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414979583 853250764 /nfs/dbraw/zinc/25/07/64/853250764.db2.gz VNLBQNWXVIXVGX-MRXNPFEDSA-N 2 1 385.346 3.724 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167987485 853252382 /nfs/dbraw/zinc/25/23/82/853252382.db2.gz CABGRMBBOHKDAP-LECXIGBMSA-N 2 1 385.577 3.582 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167987485 853252389 /nfs/dbraw/zinc/25/23/89/853252389.db2.gz CABGRMBBOHKDAP-LECXIGBMSA-N 2 1 385.577 3.582 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167987485 853252397 /nfs/dbraw/zinc/25/23/97/853252397.db2.gz CABGRMBBOHKDAP-LECXIGBMSA-N 2 1 385.577 3.582 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518374145 853271020 /nfs/dbraw/zinc/27/10/20/853271020.db2.gz WSFWYMFYAXOOEA-FUDKSRODSA-N 2 1 394.563 3.654 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518374145 853271025 /nfs/dbraw/zinc/27/10/25/853271025.db2.gz WSFWYMFYAXOOEA-FUDKSRODSA-N 2 1 394.563 3.654 20 0 GHADMP CCN(C(=O)NCc1c[nH+]c2n1CCCC2)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517049391 853306188 /nfs/dbraw/zinc/30/61/88/853306188.db2.gz KXNSEVYOGVUYKI-QUCCMNQESA-N 2 1 395.551 3.586 20 0 GHADMP CCN(C(=O)NCc1c[nH+]c2n1CCCC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000517049391 853306207 /nfs/dbraw/zinc/30/62/07/853306207.db2.gz KXNSEVYOGVUYKI-QUCCMNQESA-N 2 1 395.551 3.586 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000518407005 853308599 /nfs/dbraw/zinc/30/85/99/853308599.db2.gz UVCFPQYVJFCGIS-WTNAPCKOSA-N 2 1 398.526 3.563 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000491025831 853404124 /nfs/dbraw/zinc/40/41/24/853404124.db2.gz DFQUBIVSYJQYIZ-UHFFFAOYSA-N 2 1 384.572 3.829 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000491025831 853404133 /nfs/dbraw/zinc/40/41/33/853404133.db2.gz DFQUBIVSYJQYIZ-UHFFFAOYSA-N 2 1 384.572 3.829 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000519757800 853468423 /nfs/dbraw/zinc/46/84/23/853468423.db2.gz BWIVAKYBVNMUPH-UEXGIBASSA-N 2 1 382.976 3.736 20 0 GHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(Br)c1 ZINC000604774460 862471646 /nfs/dbraw/zinc/47/16/46/862471646.db2.gz WFPPXARNJWAGEY-XJKSGUPXSA-N 2 1 384.362 3.732 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@H]2C ZINC001167988221 853512649 /nfs/dbraw/zinc/51/26/49/853512649.db2.gz IPGYADPXZARINT-YBVXAUJNSA-N 2 1 385.600 3.505 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414915648 853614104 /nfs/dbraw/zinc/61/41/04/853614104.db2.gz OJQWICSWOPZJHF-LJQANCHMSA-N 2 1 391.357 3.731 20 0 GHADMP Cc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1Br ZINC001212144995 853653666 /nfs/dbraw/zinc/65/36/66/853653666.db2.gz IUASCYSKBSNNGQ-AWEZNQCLSA-N 2 1 381.318 3.976 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377748 853680555 /nfs/dbraw/zinc/68/05/55/853680555.db2.gz HDWUQSOETKCWPW-SIKLNZKXSA-N 2 1 395.563 3.532 20 0 GHADMP O=C1C[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988694 853692281 /nfs/dbraw/zinc/69/22/81/853692281.db2.gz MWLNHQCYIGHQFS-OTTNMNEJSA-N 2 1 397.538 3.660 20 0 GHADMP O=C1C[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988694 853692287 /nfs/dbraw/zinc/69/22/87/853692287.db2.gz MWLNHQCYIGHQFS-OTTNMNEJSA-N 2 1 397.538 3.660 20 0 GHADMP O=C1C[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988694 853692295 /nfs/dbraw/zinc/69/22/95/853692295.db2.gz MWLNHQCYIGHQFS-OTTNMNEJSA-N 2 1 397.538 3.660 20 0 GHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000623891424 862505105 /nfs/dbraw/zinc/50/51/05/862505105.db2.gz MCJOMMCCGCAASS-UKRRQHHQSA-N 2 1 393.881 3.511 20 0 GHADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1C ZINC000520405763 854176468 /nfs/dbraw/zinc/17/64/68/854176468.db2.gz VSIXBEMLFDTYBN-BJKOFHAPSA-N 2 1 378.560 3.994 20 0 GHADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1C ZINC000520405763 854176472 /nfs/dbraw/zinc/17/64/72/854176472.db2.gz VSIXBEMLFDTYBN-BJKOFHAPSA-N 2 1 378.560 3.994 20 0 GHADMP Cc1ccc(O[C@H]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)CC[N@H+]3C2)cc1 ZINC001167993779 854369046 /nfs/dbraw/zinc/36/90/46/854369046.db2.gz SEBYZQXLLOYTEN-VGMSLZNMSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc(O[C@H]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)CC[NH+]3C2)cc1 ZINC001167993779 854369052 /nfs/dbraw/zinc/36/90/52/854369052.db2.gz SEBYZQXLLOYTEN-VGMSLZNMSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc(O[C@H]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC[NH+]3C2)cc1 ZINC001167993779 854369057 /nfs/dbraw/zinc/36/90/57/854369057.db2.gz SEBYZQXLLOYTEN-VGMSLZNMSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000572149621 854388620 /nfs/dbraw/zinc/38/86/20/854388620.db2.gz MIGLLIIQUHXRLK-IEZKXTBUSA-N 2 1 396.575 3.783 20 0 GHADMP COc1ccc(C(=O)C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167995009 854430050 /nfs/dbraw/zinc/43/00/50/854430050.db2.gz TUIJBLJLOHQEOF-CBQGHPETSA-N 2 1 382.548 3.995 20 0 GHADMP COc1ccc(C(=O)C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995009 854430051 /nfs/dbraw/zinc/43/00/51/854430051.db2.gz TUIJBLJLOHQEOF-CBQGHPETSA-N 2 1 382.548 3.995 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000068200368 854559121 /nfs/dbraw/zinc/55/91/21/854559121.db2.gz SFYAFENDEUOEDW-MJGOQNOKSA-N 2 1 389.540 3.518 20 0 GHADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000330110332 862582123 /nfs/dbraw/zinc/58/21/23/862582123.db2.gz ACOUTZGVAKHPPX-DYXWJJEUSA-N 2 1 387.572 3.547 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000589211931 854752391 /nfs/dbraw/zinc/75/23/91/854752391.db2.gz DACLXKYNMWQFPJ-IBGZPJMESA-N 2 1 388.600 3.981 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000589211931 854752400 /nfs/dbraw/zinc/75/24/00/854752400.db2.gz DACLXKYNMWQFPJ-IBGZPJMESA-N 2 1 388.600 3.981 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000589211931 854752407 /nfs/dbraw/zinc/75/24/07/854752407.db2.gz DACLXKYNMWQFPJ-IBGZPJMESA-N 2 1 388.600 3.981 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536353126 855039371 /nfs/dbraw/zinc/03/93/71/855039371.db2.gz FQXRHCMQTOTTAN-SLFFLAALSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536353126 855039381 /nfs/dbraw/zinc/03/93/81/855039381.db2.gz FQXRHCMQTOTTAN-SLFFLAALSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536353126 855039389 /nfs/dbraw/zinc/03/93/89/855039389.db2.gz FQXRHCMQTOTTAN-SLFFLAALSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536353126 855039400 /nfs/dbraw/zinc/03/94/00/855039400.db2.gz FQXRHCMQTOTTAN-SLFFLAALSA-N 2 1 392.975 3.601 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572858806 855046086 /nfs/dbraw/zinc/04/60/86/855046086.db2.gz XLIHHDCCQTXATG-FYYLOGMGSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572858806 855046090 /nfs/dbraw/zinc/04/60/90/855046090.db2.gz XLIHHDCCQTXATG-FYYLOGMGSA-N 2 1 382.548 3.625 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000589836002 855158259 /nfs/dbraw/zinc/15/82/59/855158259.db2.gz COBQAGRBCITMHI-CQSZACIVSA-N 2 1 383.330 3.922 20 0 GHADMP O=C1c2ccccc2[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N1Cc1ccccc1 ZINC000624107702 862659709 /nfs/dbraw/zinc/65/97/09/862659709.db2.gz UKFYFAKFLQZUBD-QHCPKHFHSA-N 2 1 375.516 3.600 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000057223602 855296157 /nfs/dbraw/zinc/29/61/57/855296157.db2.gz DRNVZSZFCKXNOE-UHFFFAOYSA-N 2 1 393.491 3.549 20 0 GHADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000590354017 855379399 /nfs/dbraw/zinc/37/93/99/855379399.db2.gz JTLHCELOPKAFJK-UHFFFAOYSA-N 2 1 392.563 3.555 20 0 GHADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000590354017 855379402 /nfs/dbraw/zinc/37/94/02/855379402.db2.gz JTLHCELOPKAFJK-UHFFFAOYSA-N 2 1 392.563 3.555 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000590394950 855388092 /nfs/dbraw/zinc/38/80/92/855388092.db2.gz JHUYZFAFKHSZPR-QHCPKHFHSA-N 2 1 394.563 3.768 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]12 ZINC001168001881 855530527 /nfs/dbraw/zinc/53/05/27/855530527.db2.gz JXTNJUSRUYHSNV-WRTKBMEVSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]12 ZINC001168001881 855530530 /nfs/dbraw/zinc/53/05/30/855530530.db2.gz JXTNJUSRUYHSNV-WRTKBMEVSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]12 ZINC001168001881 855530533 /nfs/dbraw/zinc/53/05/33/855530533.db2.gz JXTNJUSRUYHSNV-WRTKBMEVSA-N 2 1 389.584 3.627 20 0 GHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000590778129 855579243 /nfs/dbraw/zinc/57/92/43/855579243.db2.gz GALUTXXWANSDEA-ANAFOTAVSA-N 2 1 382.573 3.957 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000590786470 855585751 /nfs/dbraw/zinc/58/57/51/855585751.db2.gz BJLQMUQDVIXJBU-UHFFFAOYSA-N 2 1 397.317 3.644 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000590786470 855585753 /nfs/dbraw/zinc/58/57/53/855585753.db2.gz BJLQMUQDVIXJBU-UHFFFAOYSA-N 2 1 397.317 3.644 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000590786271 855585763 /nfs/dbraw/zinc/58/57/63/855585763.db2.gz LWUMKBURDOLMTH-IRXDYDNUSA-N 2 1 379.976 3.958 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000590818920 855620187 /nfs/dbraw/zinc/62/01/87/855620187.db2.gz IMHSAGKTJBNCBT-UTKZUKDTSA-N 2 1 382.976 3.831 20 0 GHADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168003254 855660128 /nfs/dbraw/zinc/66/01/28/855660128.db2.gz LZODHDYLEUALLH-KWVUDZMESA-N 2 1 377.573 3.627 20 0 GHADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168003254 855660134 /nfs/dbraw/zinc/66/01/34/855660134.db2.gz LZODHDYLEUALLH-KWVUDZMESA-N 2 1 377.573 3.627 20 0 GHADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168003254 855660142 /nfs/dbraw/zinc/66/01/42/855660142.db2.gz LZODHDYLEUALLH-KWVUDZMESA-N 2 1 377.573 3.627 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000573040201 855700235 /nfs/dbraw/zinc/70/02/35/855700235.db2.gz VMJUSPKSOJTTBK-OAHLLOKOSA-N 2 1 399.348 3.754 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000482139615 862727256 /nfs/dbraw/zinc/72/72/56/862727256.db2.gz PPXFPWCYJRFSTP-JENIJYKNSA-N 2 1 391.556 3.521 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000189790482 855863896 /nfs/dbraw/zinc/86/38/96/855863896.db2.gz HNTORZSOGTYJTJ-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000591458723 856000248 /nfs/dbraw/zinc/00/02/48/856000248.db2.gz OPWILQVAWYSKPC-UPVQGACJSA-N 2 1 393.575 3.750 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168562758 856062424 /nfs/dbraw/zinc/06/24/24/856062424.db2.gz SDAKSIGMBJHNOL-CVEARBPZSA-N 2 1 393.494 3.590 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573321591 856077085 /nfs/dbraw/zinc/07/70/85/856077085.db2.gz RZCROQLULJUWIG-XWRIVVANSA-N 2 1 395.950 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573321591 856077092 /nfs/dbraw/zinc/07/70/92/856077092.db2.gz RZCROQLULJUWIG-XWRIVVANSA-N 2 1 395.950 3.756 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474008700 856121380 /nfs/dbraw/zinc/12/13/80/856121380.db2.gz KYHYBAXOEKPHSW-BVVFMGSASA-N 2 1 398.595 3.735 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccccc2C2CC2)c1 ZINC000674334356 856178509 /nfs/dbraw/zinc/17/85/09/856178509.db2.gz DXYHLFQWXKIGGT-UHFFFAOYSA-N 2 1 393.531 3.515 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000536482413 856205096 /nfs/dbraw/zinc/20/50/96/856205096.db2.gz OODIAEIGVSMTDD-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc(COc2ccc(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)cc2)cc1 ZINC000591709359 856227031 /nfs/dbraw/zinc/22/70/31/856227031.db2.gz RUSWOIRKUGMNGU-UHFFFAOYSA-N 2 1 395.591 3.937 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168569235 856227256 /nfs/dbraw/zinc/22/72/56/856227256.db2.gz CQLSXPKYFSENTB-HOTGVXAUSA-N 2 1 395.510 3.981 20 0 GHADMP CC(C)c1[nH+]ccn1CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000729526639 856374175 /nfs/dbraw/zinc/37/41/75/856374175.db2.gz AMTIHMSOXQHATH-LJQANCHMSA-N 2 1 398.551 3.690 20 0 GHADMP CC(C)c1[nH+]ccn1CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000729526639 856374185 /nfs/dbraw/zinc/37/41/85/856374185.db2.gz AMTIHMSOXQHATH-LJQANCHMSA-N 2 1 398.551 3.690 20 0 GHADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639125022 856381959 /nfs/dbraw/zinc/38/19/59/856381959.db2.gz XYLGRKACVXQIJV-UPVQGACJSA-N 2 1 385.596 3.773 20 0 GHADMP C[N@H+](CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2)Cc1ccccc1 ZINC000061556886 856516134 /nfs/dbraw/zinc/51/61/34/856516134.db2.gz FPVYMUJHVBNYJO-UHFFFAOYSA-N 2 1 391.309 3.790 20 0 GHADMP C[N@@H+](CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2)Cc1ccccc1 ZINC000061556886 856516142 /nfs/dbraw/zinc/51/61/42/856516142.db2.gz FPVYMUJHVBNYJO-UHFFFAOYSA-N 2 1 391.309 3.790 20 0 GHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000427693514 856552554 /nfs/dbraw/zinc/55/25/54/856552554.db2.gz FWQRHAKXAPLYSW-BJKOFHAPSA-N 2 1 393.575 3.741 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNc1nc(N)c2cc(OC)c(OC)cc2[nH+]1 ZINC000110670925 856635325 /nfs/dbraw/zinc/63/53/25/856635325.db2.gz HKLIZXISSFWRCG-UHFFFAOYSA-N 2 1 395.507 3.683 20 0 GHADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485484942 856662657 /nfs/dbraw/zinc/66/26/57/856662657.db2.gz DRHHWLMOCNTHAD-HXUWFJFHSA-N 2 1 383.580 3.812 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168010717 856820620 /nfs/dbraw/zinc/82/06/20/856820620.db2.gz KSROROFGJOWZDV-YDLSIGKMSA-N 2 1 393.575 3.757 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C3)cc1 ZINC000665251482 856989244 /nfs/dbraw/zinc/98/92/44/856989244.db2.gz QAMBJSYPBXZVPH-NHTNDUFYSA-N 2 1 375.560 3.917 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000675191979 857073693 /nfs/dbraw/zinc/07/36/93/857073693.db2.gz SBKFWTLPUWNKGK-OAQYLSRUSA-N 2 1 398.551 3.585 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000675191979 857073701 /nfs/dbraw/zinc/07/37/01/857073701.db2.gz SBKFWTLPUWNKGK-OAQYLSRUSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000921928530 857146752 /nfs/dbraw/zinc/14/67/52/857146752.db2.gz VAGCZBDSXVQRJM-UGKGYDQZSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665257781 857159943 /nfs/dbraw/zinc/15/99/43/857159943.db2.gz USNUCDLGZVBTDX-NLSFWIRASA-N 2 1 385.527 3.562 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000665259449 857216139 /nfs/dbraw/zinc/21/61/39/857216139.db2.gz GJYXZZZBAUPPIN-SYNNKVJXSA-N 2 1 383.511 3.991 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C(C)C)cc1Cl ZINC000480401041 857227740 /nfs/dbraw/zinc/22/77/40/857227740.db2.gz JHILUHOAHHMNKX-OPYAIIAOSA-N 2 1 394.987 3.928 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C(C)C)cc1Cl ZINC000480401041 857227750 /nfs/dbraw/zinc/22/77/50/857227750.db2.gz JHILUHOAHHMNKX-OPYAIIAOSA-N 2 1 394.987 3.928 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C(C)C)cc1Cl ZINC000480401041 857227754 /nfs/dbraw/zinc/22/77/54/857227754.db2.gz JHILUHOAHHMNKX-OPYAIIAOSA-N 2 1 394.987 3.928 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000187009478 862907985 /nfs/dbraw/zinc/90/79/85/862907985.db2.gz RQVOOWSFPSEKTK-NQIIRXRSSA-N 2 1 386.536 3.636 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000187009478 862907988 /nfs/dbraw/zinc/90/79/88/862907988.db2.gz RQVOOWSFPSEKTK-NQIIRXRSSA-N 2 1 386.536 3.636 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000061114170 857498246 /nfs/dbraw/zinc/49/82/46/857498246.db2.gz CACRRZPAUABEJM-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000486228638 857568607 /nfs/dbraw/zinc/56/86/07/857568607.db2.gz QBYXARIXNQBYFS-SFHVURJKSA-N 2 1 395.551 3.902 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000675786865 857613333 /nfs/dbraw/zinc/61/33/33/857613333.db2.gz IECRWCVFSYDWLK-QFIPXVFZSA-N 2 1 378.564 3.548 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000675880222 857658555 /nfs/dbraw/zinc/65/85/55/857658555.db2.gz CAXFDUCEIISRJJ-KXBFYZLASA-N 2 1 386.458 3.922 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671741676 857748236 /nfs/dbraw/zinc/74/82/36/857748236.db2.gz UCEDXMODJJTYTA-QGZVFWFLSA-N 2 1 394.519 3.522 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744441 857764720 /nfs/dbraw/zinc/76/47/20/857764720.db2.gz HXCSDAATBNRVLH-FPOVZHCZSA-N 2 1 375.520 3.830 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000065549789 857817161 /nfs/dbraw/zinc/81/71/61/857817161.db2.gz WTHYIPQWYINQRF-MOPGFXCFSA-N 2 1 390.572 3.616 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000065549612 857817428 /nfs/dbraw/zinc/81/74/28/857817428.db2.gz AKZKMNRXDCVCEN-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1C ZINC000594006231 857859442 /nfs/dbraw/zinc/85/94/42/857859442.db2.gz XVOCAAGVCUKREQ-SFHVURJKSA-N 2 1 399.608 3.969 20 0 GHADMP C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC(C)C1 ZINC000574582917 858069805 /nfs/dbraw/zinc/06/98/05/858069805.db2.gz BIGCJFBQALZFSF-XZBHBCHMSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CC(C)C1 ZINC000574582917 858069812 /nfs/dbraw/zinc/06/98/12/858069812.db2.gz BIGCJFBQALZFSF-XZBHBCHMSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CC(C)C1 ZINC000574582917 858069818 /nfs/dbraw/zinc/06/98/18/858069818.db2.gz BIGCJFBQALZFSF-XZBHBCHMSA-N 2 1 389.971 3.710 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000574582323 858071430 /nfs/dbraw/zinc/07/14/30/858071430.db2.gz WSKWCLGHVYXKMX-OFNKIYASSA-N 2 1 395.478 3.533 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000166727326 858095195 /nfs/dbraw/zinc/09/51/95/858095195.db2.gz IQDPLYQXHOHNER-LJQANCHMSA-N 2 1 389.952 3.836 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442778700 858118836 /nfs/dbraw/zinc/11/88/36/858118836.db2.gz HLVSKPZBYFDEJC-QUCCMNQESA-N 2 1 383.502 3.959 20 0 GHADMP Cc1oc2ccccc2c1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574726932 858152307 /nfs/dbraw/zinc/15/23/07/858152307.db2.gz UEHVKEQZDLZGAJ-HDICACEKSA-N 2 1 386.536 3.831 20 0 GHADMP Cc1oc2ccccc2c1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574726932 858152312 /nfs/dbraw/zinc/15/23/12/858152312.db2.gz UEHVKEQZDLZGAJ-HDICACEKSA-N 2 1 386.536 3.831 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281383199 862993588 /nfs/dbraw/zinc/99/35/88/862993588.db2.gz XMRIITDLGAVVNK-QHCPKHFHSA-N 2 1 382.527 3.599 20 0 GHADMP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCCC2 ZINC000181740695 862993717 /nfs/dbraw/zinc/99/37/17/862993717.db2.gz KRZXUOYCTMKZFD-UXHICEINSA-N 2 1 375.557 3.831 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000674099213 863006201 /nfs/dbraw/zinc/00/62/01/863006201.db2.gz VYFGQQNAFZANEM-NQIIRXRSSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000521880961 858399588 /nfs/dbraw/zinc/39/95/88/858399588.db2.gz LSNKZACLMZBZMU-HXUWFJFHSA-N 2 1 398.576 3.597 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000595235331 858448103 /nfs/dbraw/zinc/44/81/03/858448103.db2.gz GEMMSEIDYXQTNU-RTWAWAEBSA-N 2 1 386.499 3.729 20 0 GHADMP CC(C)[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[NH+](C)C ZINC000521962002 858490214 /nfs/dbraw/zinc/49/02/14/858490214.db2.gz GGASNYNLDFQFCW-QFIPXVFZSA-N 2 1 379.548 3.506 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000522096607 858616415 /nfs/dbraw/zinc/61/64/15/858616415.db2.gz LLJSYPVXEWGLHB-DEOSSOPVSA-N 2 1 391.559 3.908 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCc2ccccc2C)cc1 ZINC000183676805 858793736 /nfs/dbraw/zinc/79/37/36/858793736.db2.gz VEPRNWSUMOXWMR-RBUKOAKNSA-N 2 1 390.531 3.887 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000183682459 858796079 /nfs/dbraw/zinc/79/60/79/858796079.db2.gz HGPFTAIGLAVFNQ-GOSISDBHSA-N 2 1 388.515 3.679 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000532186844 881359807 /nfs/dbraw/zinc/35/98/07/881359807.db2.gz SSYYYKSCHXORQS-CYFREDJKSA-N 2 1 390.531 3.732 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000532188697 881362820 /nfs/dbraw/zinc/36/28/20/881362820.db2.gz ZMQVUKLGISHARP-MAUKXSAKSA-N 2 1 377.529 3.535 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c2cccc(Br)c21 ZINC000482872131 858928978 /nfs/dbraw/zinc/92/89/78/858928978.db2.gz BEKNNMRPHITLFB-IIDMSEBBSA-N 2 1 381.358 3.680 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856551246 881367933 /nfs/dbraw/zinc/36/79/33/881367933.db2.gz NSUOMEISNBBACA-HSZRJFAPSA-N 2 1 395.547 3.554 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856551246 881367950 /nfs/dbraw/zinc/36/79/50/881367950.db2.gz NSUOMEISNBBACA-HSZRJFAPSA-N 2 1 395.547 3.554 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856551246 881367972 /nfs/dbraw/zinc/36/79/72/881367972.db2.gz NSUOMEISNBBACA-HSZRJFAPSA-N 2 1 395.547 3.554 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000483006004 859054907 /nfs/dbraw/zinc/05/49/07/859054907.db2.gz LPOVKHVELUCJAI-UZLBHIALSA-N 2 1 377.960 3.714 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Cl ZINC000483006004 859054919 /nfs/dbraw/zinc/05/49/19/859054919.db2.gz LPOVKHVELUCJAI-UZLBHIALSA-N 2 1 377.960 3.714 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(OC)c(Cl)c3)C2)ccn1 ZINC000856552482 881375876 /nfs/dbraw/zinc/37/58/76/881375876.db2.gz CEUJPPNFDXETSA-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(OC)c(Cl)c3)C2)ccn1 ZINC000856552482 881375903 /nfs/dbraw/zinc/37/59/03/881375903.db2.gz CEUJPPNFDXETSA-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(OC)c(Cl)c3)C2)ccn1 ZINC000856552482 881375925 /nfs/dbraw/zinc/37/59/25/881375925.db2.gz CEUJPPNFDXETSA-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP CC[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000185362610 859076184 /nfs/dbraw/zinc/07/61/84/859076184.db2.gz AESUSXNKVJFZKW-QFIPXVFZSA-N 2 1 380.536 3.877 20 0 GHADMP Cc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000051405074 859107745 /nfs/dbraw/zinc/10/77/45/859107745.db2.gz XIXJUZOZODABPB-UHFFFAOYSA-N 2 1 379.548 3.516 20 0 GHADMP Cc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000051405074 859107753 /nfs/dbraw/zinc/10/77/53/859107753.db2.gz XIXJUZOZODABPB-UHFFFAOYSA-N 2 1 379.548 3.516 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659397 859112974 /nfs/dbraw/zinc/11/29/74/859112974.db2.gz AOCPSWOBPVIDIK-JKSUJKDBSA-N 2 1 395.950 3.680 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659397 859112976 /nfs/dbraw/zinc/11/29/76/859112976.db2.gz AOCPSWOBPVIDIK-JKSUJKDBSA-N 2 1 395.950 3.680 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)ccn1 ZINC000856553676 881383708 /nfs/dbraw/zinc/38/37/08/881383708.db2.gz NVQHPCKUZWVBOA-JOCHJYFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)ccn1 ZINC000856553676 881383718 /nfs/dbraw/zinc/38/37/18/881383718.db2.gz NVQHPCKUZWVBOA-JOCHJYFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)ccn1 ZINC000856553676 881383735 /nfs/dbraw/zinc/38/37/35/881383735.db2.gz NVQHPCKUZWVBOA-JOCHJYFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000665363259 859123959 /nfs/dbraw/zinc/12/39/59/859123959.db2.gz WCAHATPFUDSMTN-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000665363259 859123968 /nfs/dbraw/zinc/12/39/68/859123968.db2.gz WCAHATPFUDSMTN-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000665363259 859123975 /nfs/dbraw/zinc/12/39/75/859123975.db2.gz WCAHATPFUDSMTN-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765046 859127228 /nfs/dbraw/zinc/12/72/28/859127228.db2.gz WBSQBXBQMFLAML-JKSUJKDBSA-N 2 1 393.959 3.838 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765046 859127230 /nfs/dbraw/zinc/12/72/30/859127230.db2.gz WBSQBXBQMFLAML-JKSUJKDBSA-N 2 1 393.959 3.838 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1CCC(F)(F)CC1 ZINC000626017386 859348998 /nfs/dbraw/zinc/34/89/98/859348998.db2.gz JUYURUZBYJNQCA-UHFFFAOYSA-N 2 1 399.570 3.857 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000597216154 859352940 /nfs/dbraw/zinc/35/29/40/859352940.db2.gz ULHGFWRDNSQRMY-HXUWFJFHSA-N 2 1 378.605 3.593 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000535810567 859428659 /nfs/dbraw/zinc/42/86/59/859428659.db2.gz QMVWYPSHRYBFRD-WIOPSUGQSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000535810567 859428667 /nfs/dbraw/zinc/42/86/67/859428667.db2.gz QMVWYPSHRYBFRD-WIOPSUGQSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000535810567 859428673 /nfs/dbraw/zinc/42/86/73/859428673.db2.gz QMVWYPSHRYBFRD-WIOPSUGQSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000535810567 859428680 /nfs/dbraw/zinc/42/86/80/859428680.db2.gz QMVWYPSHRYBFRD-WIOPSUGQSA-N 2 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000535810567 859428685 /nfs/dbraw/zinc/42/86/85/859428685.db2.gz QMVWYPSHRYBFRD-WIOPSUGQSA-N 2 1 396.623 3.667 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000626062186 859436800 /nfs/dbraw/zinc/43/68/00/859436800.db2.gz KVJNGNPCSARWGS-AVRDEDQJSA-N 2 1 395.547 3.599 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000626063247 859437859 /nfs/dbraw/zinc/43/78/59/859437859.db2.gz XFPAJZLZHRNGIX-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483577870 859462422 /nfs/dbraw/zinc/46/24/22/859462422.db2.gz VHQGEZVWXWTCCS-VXKWHMMOSA-N 2 1 394.563 3.910 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483577870 859462426 /nfs/dbraw/zinc/46/24/26/859462426.db2.gz VHQGEZVWXWTCCS-VXKWHMMOSA-N 2 1 394.563 3.910 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000532202218 881426090 /nfs/dbraw/zinc/42/60/90/881426090.db2.gz KQLMWCQIEXEHSX-FGTMMUONSA-N 2 1 379.976 3.787 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000532202218 881426101 /nfs/dbraw/zinc/42/61/01/881426101.db2.gz KQLMWCQIEXEHSX-FGTMMUONSA-N 2 1 379.976 3.787 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000114197020 859491782 /nfs/dbraw/zinc/49/17/82/859491782.db2.gz XHMQRGVFGZJTOO-UHFFFAOYSA-N 2 1 375.542 3.795 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000114197020 859491790 /nfs/dbraw/zinc/49/17/90/859491790.db2.gz XHMQRGVFGZJTOO-UHFFFAOYSA-N 2 1 375.542 3.795 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000648715365 859540399 /nfs/dbraw/zinc/54/03/99/859540399.db2.gz UERSBYOFHVSEMU-RXVVDRJESA-N 2 1 398.551 3.749 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1O ZINC000856559466 881438046 /nfs/dbraw/zinc/43/80/46/881438046.db2.gz PAJRVTBJTNDJAK-OAQYLSRUSA-N 2 1 399.535 3.679 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1O ZINC000856559466 881438059 /nfs/dbraw/zinc/43/80/59/881438059.db2.gz PAJRVTBJTNDJAK-OAQYLSRUSA-N 2 1 399.535 3.679 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1O ZINC000856559466 881438075 /nfs/dbraw/zinc/43/80/75/881438075.db2.gz PAJRVTBJTNDJAK-OAQYLSRUSA-N 2 1 399.535 3.679 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764972891 859704688 /nfs/dbraw/zinc/70/46/88/859704688.db2.gz SAVZYYWEASBRTE-BZUAXINKSA-N 2 1 388.524 3.702 20 0 GHADMP CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000729545069 859732298 /nfs/dbraw/zinc/73/22/98/859732298.db2.gz RMUUQVULRHULFQ-MOPGFXCFSA-N 2 1 386.584 3.666 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000474288612 859764346 /nfs/dbraw/zinc/76/43/46/859764346.db2.gz CCUYVKUAORUFAY-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000474288612 859764351 /nfs/dbraw/zinc/76/43/51/859764351.db2.gz CCUYVKUAORUFAY-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCSc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458517 859789534 /nfs/dbraw/zinc/78/95/34/859789534.db2.gz GISJDDMBAYJVIU-FGTMMUONSA-N 2 1 387.593 3.756 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCSc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458517 859789539 /nfs/dbraw/zinc/78/95/39/859789539.db2.gz GISJDDMBAYJVIU-FGTMMUONSA-N 2 1 387.593 3.756 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000765126266 859804086 /nfs/dbraw/zinc/80/40/86/859804086.db2.gz JJDNDEWDPVLHEV-YTQUADARSA-N 2 1 391.556 3.581 20 0 GHADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484125765 859816720 /nfs/dbraw/zinc/81/67/20/859816720.db2.gz BPKLFHKGULVAOP-IRLDBZIGSA-N 2 1 390.474 3.966 20 0 GHADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484125765 859816721 /nfs/dbraw/zinc/81/67/21/859816721.db2.gz BPKLFHKGULVAOP-IRLDBZIGSA-N 2 1 390.474 3.966 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccnc(Cl)c3s1)C2 ZINC000922389124 859870686 /nfs/dbraw/zinc/87/06/86/859870686.db2.gz HLTKKCJNEZUXQS-RRIFGTCXSA-N 2 1 379.957 3.519 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(-c4cccs4)n3)C2)[C@@H]1C(C)C ZINC000922392571 859894722 /nfs/dbraw/zinc/89/47/22/859894722.db2.gz DXIDKMHYOQXFQE-HBXLWWENSA-N 2 1 391.606 3.831 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000428865741 860066534 /nfs/dbraw/zinc/06/65/34/860066534.db2.gz WTCPUHIQXXRUOS-BAGYTPMASA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428865741 860066545 /nfs/dbraw/zinc/06/65/45/860066545.db2.gz WTCPUHIQXXRUOS-BAGYTPMASA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428865741 860066559 /nfs/dbraw/zinc/06/65/59/860066559.db2.gz WTCPUHIQXXRUOS-BAGYTPMASA-N 2 1 386.584 3.603 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C[C@H](C)c3ccccc3)cc2)CC1 ZINC000727437425 860078236 /nfs/dbraw/zinc/07/82/36/860078236.db2.gz JUIFTKYGIWITQY-FQEVSTJZSA-N 2 1 394.563 3.503 20 0 GHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000123873979 860126422 /nfs/dbraw/zinc/12/64/22/860126422.db2.gz OCJQTWFKLDWRRI-UHFFFAOYSA-N 2 1 380.319 3.575 20 0 GHADMP CCCN(C(=O)CCCn1cc[nH+]c1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000727646802 860174773 /nfs/dbraw/zinc/17/47/73/860174773.db2.gz FGGHCFRAXQICDY-QFIPXVFZSA-N 2 1 382.552 3.875 20 0 GHADMP CCCN(C(=O)CCCn1cc[nH+]c1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000727646802 860174777 /nfs/dbraw/zinc/17/47/77/860174777.db2.gz FGGHCFRAXQICDY-QFIPXVFZSA-N 2 1 382.552 3.875 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089194 860207994 /nfs/dbraw/zinc/20/79/94/860207994.db2.gz AXZVXHOLBSULLR-UHFFFAOYSA-N 2 1 378.923 3.806 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089194 860208002 /nfs/dbraw/zinc/20/80/02/860208002.db2.gz AXZVXHOLBSULLR-UHFFFAOYSA-N 2 1 378.923 3.806 20 0 GHADMP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)sc1C ZINC000124801153 860291756 /nfs/dbraw/zinc/29/17/56/860291756.db2.gz AMBIPCOVMHHSRO-MOPGFXCFSA-N 2 1 377.598 3.774 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000765663808 860384425 /nfs/dbraw/zinc/38/44/25/860384425.db2.gz QYKPRUTUXVSQLK-JOCHJYFZSA-N 2 1 384.568 3.853 20 0 GHADMP C[C@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)cc(Cl)c1F ZINC000922670900 860449195 /nfs/dbraw/zinc/44/91/95/860449195.db2.gz ZZRIPEHTUQHGRW-LBPRGKRZSA-N 2 1 398.313 3.525 20 0 GHADMP COc1ccc2nc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)sc2c1 ZINC000904473418 860465781 /nfs/dbraw/zinc/46/57/81/860465781.db2.gz QVNMTFRYCNEDGI-UWJYYQICSA-N 2 1 381.501 3.650 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000904645833 860542937 /nfs/dbraw/zinc/54/29/37/860542937.db2.gz DIIIIVGMIFRILG-UHFFFAOYSA-N 2 1 378.520 3.665 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585450 881557890 /nfs/dbraw/zinc/55/78/90/881557890.db2.gz FQYZRRWTKGTQBM-DVECYGJZSA-N 2 1 379.548 3.792 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585450 881557903 /nfs/dbraw/zinc/55/79/03/881557903.db2.gz FQYZRRWTKGTQBM-DVECYGJZSA-N 2 1 379.548 3.792 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585450 881557917 /nfs/dbraw/zinc/55/79/17/881557917.db2.gz FQYZRRWTKGTQBM-DVECYGJZSA-N 2 1 379.548 3.792 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000189068317 881562623 /nfs/dbraw/zinc/56/26/23/881562623.db2.gz UZAAXIAWHAGPPH-UHFFFAOYSA-N 2 1 376.438 3.747 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000603496995 860767662 /nfs/dbraw/zinc/76/76/62/860767662.db2.gz BHVOEYNCHHCGMG-LJQANCHMSA-N 2 1 397.485 3.863 20 0 GHADMP CO[C@H](C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604357 881582116 /nfs/dbraw/zinc/58/21/16/881582116.db2.gz NEMPDZYMDXOOML-XZOQPEGZSA-N 2 1 383.536 3.763 20 0 GHADMP CO[C@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604357 881582121 /nfs/dbraw/zinc/58/21/21/881582121.db2.gz NEMPDZYMDXOOML-XZOQPEGZSA-N 2 1 383.536 3.763 20 0 GHADMP CO[C@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604357 881582130 /nfs/dbraw/zinc/58/21/30/881582130.db2.gz NEMPDZYMDXOOML-XZOQPEGZSA-N 2 1 383.536 3.763 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)[C@@H]1C ZINC000474821877 860816250 /nfs/dbraw/zinc/81/62/50/860816250.db2.gz MZQNACUOLFSUIC-FGSXEWAUSA-N 2 1 384.520 3.979 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOCC3CCCC3)C2)ccn1 ZINC000856606760 881585568 /nfs/dbraw/zinc/58/55/68/881585568.db2.gz NTTNOVVSEXNAKT-JOCHJYFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOCC3CCCC3)C2)ccn1 ZINC000856606760 881585577 /nfs/dbraw/zinc/58/55/77/881585577.db2.gz NTTNOVVSEXNAKT-JOCHJYFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOCC3CCCC3)C2)ccn1 ZINC000856606760 881585584 /nfs/dbraw/zinc/58/55/84/881585584.db2.gz NTTNOVVSEXNAKT-JOCHJYFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606237 881586130 /nfs/dbraw/zinc/58/61/30/881586130.db2.gz JVMZFCQTKDZNHP-CRAIPNDOSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606237 881586138 /nfs/dbraw/zinc/58/61/38/881586138.db2.gz JVMZFCQTKDZNHP-CRAIPNDOSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606237 881586152 /nfs/dbraw/zinc/58/61/52/881586152.db2.gz JVMZFCQTKDZNHP-CRAIPNDOSA-N 2 1 386.367 3.959 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199463 881593465 /nfs/dbraw/zinc/59/34/65/881593465.db2.gz ZJOXSHWTRVGSKM-UYWIDEMCSA-N 2 1 398.551 3.671 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000126084418 860937371 /nfs/dbraw/zinc/93/73/71/860937371.db2.gz FJERKCIOAKCXFV-JOCHJYFZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000126084418 860937385 /nfs/dbraw/zinc/93/73/85/860937385.db2.gz FJERKCIOAKCXFV-JOCHJYFZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000126084418 860937399 /nfs/dbraw/zinc/93/73/99/860937399.db2.gz FJERKCIOAKCXFV-JOCHJYFZSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1)CC(C)C ZINC001168415098 861015131 /nfs/dbraw/zinc/01/51/31/861015131.db2.gz YIRCCAAQYWWACK-UHFFFAOYSA-N 2 1 386.646 3.814 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1)CC(C)C ZINC001168415098 861015133 /nfs/dbraw/zinc/01/51/33/861015133.db2.gz YIRCCAAQYWWACK-UHFFFAOYSA-N 2 1 386.646 3.814 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000603686107 861038835 /nfs/dbraw/zinc/03/88/35/861038835.db2.gz CSHUIMSMUCTPRX-OALUTQOASA-N 2 1 375.557 3.848 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000600120498 861039376 /nfs/dbraw/zinc/03/93/76/861039376.db2.gz LQLLULXKBCBFJU-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000179215339 861086013 /nfs/dbraw/zinc/08/60/13/861086013.db2.gz MQLYYFAYDUYTMD-IBGZPJMESA-N 2 1 381.358 3.915 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000600146769 861125382 /nfs/dbraw/zinc/12/53/82/861125382.db2.gz YUTZAJFUMZOLQF-BAGYTPMASA-N 2 1 393.531 3.649 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000600146769 861125384 /nfs/dbraw/zinc/12/53/84/861125384.db2.gz YUTZAJFUMZOLQF-BAGYTPMASA-N 2 1 393.531 3.649 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000733848705 863201841 /nfs/dbraw/zinc/20/18/41/863201841.db2.gz QJXOZFVLXNKSNX-RTWAWAEBSA-N 2 1 380.621 3.795 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000624255026 863325208 /nfs/dbraw/zinc/32/52/08/863325208.db2.gz CFKOWGVSXDGAQR-SSGKUCQKSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624255026 863325222 /nfs/dbraw/zinc/32/52/22/863325222.db2.gz CFKOWGVSXDGAQR-SSGKUCQKSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000624255026 863325235 /nfs/dbraw/zinc/32/52/35/863325235.db2.gz CFKOWGVSXDGAQR-SSGKUCQKSA-N 2 1 383.580 3.524 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000605988745 863328621 /nfs/dbraw/zinc/32/86/21/863328621.db2.gz SXIBGPJYGQANMI-HXUWFJFHSA-N 2 1 394.991 3.678 20 0 GHADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000183149092 863487060 /nfs/dbraw/zinc/48/70/60/863487060.db2.gz HFJPWIWHLZGDLW-KBPBESRZSA-N 2 1 383.521 3.932 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168051877 863668131 /nfs/dbraw/zinc/66/81/31/863668131.db2.gz JRRYEHLLGRMSFB-KZTDQWPFSA-N 2 1 383.580 3.905 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168051877 863668137 /nfs/dbraw/zinc/66/81/37/863668137.db2.gz JRRYEHLLGRMSFB-KZTDQWPFSA-N 2 1 383.580 3.905 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168051877 863668142 /nfs/dbraw/zinc/66/81/42/863668142.db2.gz JRRYEHLLGRMSFB-KZTDQWPFSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000606620654 863739353 /nfs/dbraw/zinc/73/93/53/863739353.db2.gz HZASEDCTIBISAH-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606660054 863752454 /nfs/dbraw/zinc/75/24/54/863752454.db2.gz NMGUXVOTMPTVFX-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143089 863933733 /nfs/dbraw/zinc/93/37/33/863933733.db2.gz PBACSVBHVXJOLC-GOSISDBHSA-N 2 1 385.577 3.597 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054478 863944417 /nfs/dbraw/zinc/94/44/17/863944417.db2.gz SCAHBOODARGQDB-JHDGKUDLSA-N 2 1 383.580 3.762 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000103305957 863949825 /nfs/dbraw/zinc/94/98/25/863949825.db2.gz HHHAXROAVRKINC-VXKWHMMOSA-N 2 1 392.632 3.795 20 0 GHADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000554300872 864084589 /nfs/dbraw/zinc/08/45/89/864084589.db2.gz GRKXMDBASIHAEH-XFWGSAIBSA-N 2 1 375.944 3.514 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000607151853 864114693 /nfs/dbraw/zinc/11/46/93/864114693.db2.gz UHMUDWKIODMJIU-UHFFFAOYSA-N 2 1 376.932 3.985 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480208660 864269550 /nfs/dbraw/zinc/26/95/50/864269550.db2.gz XBVBFYZBLWYIIH-NZQKXSOJSA-N 2 1 391.559 3.645 20 0 GHADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000480245150 864310923 /nfs/dbraw/zinc/31/09/23/864310923.db2.gz WKEOYHYIOOBUEM-YJBOKZPZSA-N 2 1 385.474 3.595 20 0 GHADMP CC(C)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000607383903 864328580 /nfs/dbraw/zinc/32/85/80/864328580.db2.gz CQXTYPKDGSHOSM-QHCPKHFHSA-N 2 1 379.548 3.561 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000554452057 864342063 /nfs/dbraw/zinc/34/20/63/864342063.db2.gz RCOZOJNYSIAYKB-YFNKSVMNSA-N 2 1 396.575 3.852 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000607539277 864471389 /nfs/dbraw/zinc/47/13/89/864471389.db2.gz GDNGZZDVCAMRRG-OXJNMPFZSA-N 2 1 389.565 3.996 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000163711398 864556332 /nfs/dbraw/zinc/55/63/32/864556332.db2.gz CTNHZDVYTKDBDX-CYFREDJKSA-N 2 1 390.531 3.905 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000163711527 864556847 /nfs/dbraw/zinc/55/68/47/864556847.db2.gz CTNHZDVYTKDBDX-NTKDMRAZSA-N 2 1 390.531 3.905 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)c1 ZINC000182570400 864696170 /nfs/dbraw/zinc/69/61/70/864696170.db2.gz SMCTVVOOCVOCOF-GHTZIAJQSA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000182570400 864696181 /nfs/dbraw/zinc/69/61/81/864696181.db2.gz SMCTVVOOCVOCOF-GHTZIAJQSA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000182570400 864696188 /nfs/dbraw/zinc/69/61/88/864696188.db2.gz SMCTVVOOCVOCOF-GHTZIAJQSA-N 2 1 386.584 3.591 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000475289026 864721071 /nfs/dbraw/zinc/72/10/71/864721071.db2.gz ABWSAQYECLXKAD-NRFANRHFSA-N 2 1 378.495 3.682 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000475289026 864721082 /nfs/dbraw/zinc/72/10/82/864721082.db2.gz ABWSAQYECLXKAD-NRFANRHFSA-N 2 1 378.495 3.682 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC000622179766 864821856 /nfs/dbraw/zinc/82/18/56/864821856.db2.gz MLWLVETZSISAHO-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000622179766 864821873 /nfs/dbraw/zinc/82/18/73/864821873.db2.gz MLWLVETZSISAHO-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000622179766 864821881 /nfs/dbraw/zinc/82/18/81/864821881.db2.gz MLWLVETZSISAHO-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000444340168 864866397 /nfs/dbraw/zinc/86/63/97/864866397.db2.gz HPQGBJAWYHINBV-KRWDZBQOSA-N 2 1 383.540 3.805 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000622292106 864912213 /nfs/dbraw/zinc/91/22/13/864912213.db2.gz IOCDZGFWCZSKPY-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000622292106 864912222 /nfs/dbraw/zinc/91/22/22/864912222.db2.gz IOCDZGFWCZSKPY-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000622292106 864912226 /nfs/dbraw/zinc/91/22/26/864912226.db2.gz IOCDZGFWCZSKPY-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000622292106 864912232 /nfs/dbraw/zinc/91/22/32/864912232.db2.gz IOCDZGFWCZSKPY-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc(C3CCCCC3)n2)CC1 ZINC000622325643 864926123 /nfs/dbraw/zinc/92/61/23/864926123.db2.gz IJTNJXUOVXBSRY-UHFFFAOYSA-N 2 1 385.537 3.590 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000480611272 864943852 /nfs/dbraw/zinc/94/38/52/864943852.db2.gz OIEQMOHNQYCRSI-BRWVUGGUSA-N 2 1 375.948 3.939 20 0 GHADMP CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480620755 864981104 /nfs/dbraw/zinc/98/11/04/864981104.db2.gz ZPUXKBSBSPYOBN-LJQANCHMSA-N 2 1 379.548 3.878 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480691005 865093563 /nfs/dbraw/zinc/09/35/63/865093563.db2.gz DLFIYPDJDHHNIB-QXAKKESOSA-N 2 1 376.566 3.680 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480691005 865093574 /nfs/dbraw/zinc/09/35/74/865093574.db2.gz DLFIYPDJDHHNIB-QXAKKESOSA-N 2 1 376.566 3.680 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000554883869 865113773 /nfs/dbraw/zinc/11/37/73/865113773.db2.gz FKEKVPLTUWXIQU-UHFFFAOYSA-N 2 1 389.490 3.826 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000608264741 865127686 /nfs/dbraw/zinc/12/76/86/865127686.db2.gz ZUQLFDMYVZXZLK-QGZVFWFLSA-N 2 1 380.964 3.837 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000622728454 865153777 /nfs/dbraw/zinc/15/37/77/865153777.db2.gz CBKJZPCLBWWMPO-ROUUACIJSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000622728454 865153781 /nfs/dbraw/zinc/15/37/81/865153781.db2.gz CBKJZPCLBWWMPO-ROUUACIJSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000622751409 865256622 /nfs/dbraw/zinc/25/66/22/865256622.db2.gz FMJLNJSADCCJGK-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000608383352 865297817 /nfs/dbraw/zinc/29/78/17/865297817.db2.gz WTHBQFRQSYBSTH-KXBFYZLASA-N 2 1 377.916 3.829 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608475204 865348867 /nfs/dbraw/zinc/34/88/67/865348867.db2.gz ORWVGOGXAAKOML-LJQANCHMSA-N 2 1 391.515 3.841 20 0 GHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000301538716 865411184 /nfs/dbraw/zinc/41/11/84/865411184.db2.gz BHSJMUCVRKGJRB-MSOLQXFVSA-N 2 1 399.608 3.967 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000301538716 865411190 /nfs/dbraw/zinc/41/11/90/865411190.db2.gz BHSJMUCVRKGJRB-MSOLQXFVSA-N 2 1 399.608 3.967 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000738984454 865669553 /nfs/dbraw/zinc/66/95/53/865669553.db2.gz KQTNNGGDMJNLHS-TUNNFDKTSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000173181446 865771447 /nfs/dbraw/zinc/77/14/47/865771447.db2.gz JZYWVMHERIZUNG-REWPJTCUSA-N 2 1 379.548 3.630 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000173181446 865771451 /nfs/dbraw/zinc/77/14/51/865771451.db2.gz JZYWVMHERIZUNG-REWPJTCUSA-N 2 1 379.548 3.630 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1OCCO ZINC000481169227 865912234 /nfs/dbraw/zinc/91/22/34/865912234.db2.gz BUSMTAXWWJABPY-CNNODRBYSA-N 2 1 398.547 3.628 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1OCCO ZINC000481169227 865912241 /nfs/dbraw/zinc/91/22/41/865912241.db2.gz BUSMTAXWWJABPY-CNNODRBYSA-N 2 1 398.547 3.628 20 0 GHADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481185916 865953142 /nfs/dbraw/zinc/95/31/42/865953142.db2.gz VLGZBQZCVLVSCE-HYBUGGRVSA-N 2 1 393.575 3.708 20 0 GHADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481185916 865953152 /nfs/dbraw/zinc/95/31/52/865953152.db2.gz VLGZBQZCVLVSCE-HYBUGGRVSA-N 2 1 393.575 3.708 20 0 GHADMP CN1Cc2ccccc2[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000623235865 866117188 /nfs/dbraw/zinc/11/71/88/866117188.db2.gz DWVGWGJROUNABS-BBHUYCHWSA-N 2 1 377.532 3.733 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000153470572 866498100 /nfs/dbraw/zinc/49/81/00/866498100.db2.gz QIGGFFKMNFPQSM-XMSQKQJNSA-N 2 1 396.531 3.919 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000153470572 866498107 /nfs/dbraw/zinc/49/81/07/866498107.db2.gz QIGGFFKMNFPQSM-XMSQKQJNSA-N 2 1 396.531 3.919 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170427657 882006971 /nfs/dbraw/zinc/00/69/71/882006971.db2.gz AOCMHJNQFURKCA-NJDAHSKKSA-N 2 1 381.520 3.904 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000646427971 866854662 /nfs/dbraw/zinc/85/46/62/866854662.db2.gz RFIGRLJSQQTGIK-SFHVURJKSA-N 2 1 397.485 3.660 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@@H]3CC3CCC3)CC2)CC1 ZINC000620569190 866867937 /nfs/dbraw/zinc/86/79/37/866867937.db2.gz QWFVHNUXKQWQEX-JOCHJYFZSA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455922544 867249719 /nfs/dbraw/zinc/24/97/19/867249719.db2.gz MFKCLYYGDNIIRB-JPYJTQIMSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455922544 867249737 /nfs/dbraw/zinc/24/97/37/867249737.db2.gz MFKCLYYGDNIIRB-JPYJTQIMSA-N 2 1 392.547 3.974 20 0 GHADMP CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455925356 867294736 /nfs/dbraw/zinc/29/47/36/867294736.db2.gz NAWLQALTMUSDJC-GMAHTHKFSA-N 2 1 392.547 3.974 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553406689 867363606 /nfs/dbraw/zinc/36/36/06/867363606.db2.gz JBOSYTYZCVNKCU-NRFANRHFSA-N 2 1 395.572 3.696 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534793532 867502003 /nfs/dbraw/zinc/50/20/03/867502003.db2.gz OCYZZFPAXASYRO-KRWDZBQOSA-N 2 1 387.749 3.790 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155111468 867756063 /nfs/dbraw/zinc/75/60/63/867756063.db2.gz QNVYKIKSIYZIBF-KNQAVFIVSA-N 2 1 385.552 3.919 20 0 GHADMP Cc1cc2[nH]c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc2c(C)c1 ZINC000479440631 867759435 /nfs/dbraw/zinc/75/94/35/867759435.db2.gz WYQLDZGEMWFHJT-NZQKXSOJSA-N 2 1 377.532 3.757 20 0 GHADMP Cc1cc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2c(C)c1 ZINC000479440631 867759436 /nfs/dbraw/zinc/75/94/36/867759436.db2.gz WYQLDZGEMWFHJT-NZQKXSOJSA-N 2 1 377.532 3.757 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCc1ccccc1F ZINC000523706533 867783831 /nfs/dbraw/zinc/78/38/31/867783831.db2.gz SFGOVDRIDGJPPH-OALUTQOASA-N 2 1 397.538 3.852 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534966712 867839176 /nfs/dbraw/zinc/83/91/76/867839176.db2.gz IKZIZTODDMRHCG-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000523784376 867958141 /nfs/dbraw/zinc/95/81/41/867958141.db2.gz SUXLHDAPPRLYRL-RTBURBONSA-N 2 1 392.613 3.504 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000457647691 868568123 /nfs/dbraw/zinc/56/81/23/868568123.db2.gz JOWAWTTYUSCTML-GBXCKJPGSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000457647691 868568128 /nfs/dbraw/zinc/56/81/28/868568128.db2.gz JOWAWTTYUSCTML-GBXCKJPGSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000457647691 868568135 /nfs/dbraw/zinc/56/81/35/868568135.db2.gz JOWAWTTYUSCTML-GBXCKJPGSA-N 2 1 398.595 3.688 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(c4ccccc4)CC3(C)C)CC2)CC1 ZINC000621039566 868577143 /nfs/dbraw/zinc/57/71/43/868577143.db2.gz SKYBCOYGSVUVBG-DEOSSOPVSA-N 2 1 383.580 3.624 20 0 GHADMP CC1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000621108651 868721950 /nfs/dbraw/zinc/72/19/50/868721950.db2.gz FOEALMIAJZFYKD-QFIPXVFZSA-N 2 1 383.580 3.527 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000157933134 868807740 /nfs/dbraw/zinc/80/77/40/868807740.db2.gz OUFGDYIEBJCNIK-ZWKOTPCHSA-N 2 1 381.586 3.611 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459449412 869120289 /nfs/dbraw/zinc/12/02/89/869120289.db2.gz YZTLVZIWWOUUSQ-OALUTQOASA-N 2 1 378.923 3.959 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000133545386 882270368 /nfs/dbraw/zinc/27/03/68/882270368.db2.gz FPUFQCLGNOFCCL-RBUKOAKNSA-N 2 1 392.975 3.647 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000133545386 882270380 /nfs/dbraw/zinc/27/03/80/882270380.db2.gz FPUFQCLGNOFCCL-RBUKOAKNSA-N 2 1 392.975 3.647 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000429544015 882278954 /nfs/dbraw/zinc/27/89/54/882278954.db2.gz ZPIPFCOOCJEQHX-VQTJNVASSA-N 2 1 384.520 3.635 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000429544015 882278973 /nfs/dbraw/zinc/27/89/73/882278973.db2.gz ZPIPFCOOCJEQHX-VQTJNVASSA-N 2 1 384.520 3.635 20 0 GHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC000508852082 869254730 /nfs/dbraw/zinc/25/47/30/869254730.db2.gz ITLKWHWNCYBOCR-DENIHFKCSA-N 2 1 386.584 3.646 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000793599154 882302118 /nfs/dbraw/zinc/30/21/18/882302118.db2.gz GIWDFTYMGQWPGU-QGZVFWFLSA-N 2 1 393.547 3.726 20 0 GHADMP Cc1cccc([C@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000539851187 869883628 /nfs/dbraw/zinc/88/36/28/869883628.db2.gz WFCQMUXSTDOXIN-JOCHJYFZSA-N 2 1 379.552 3.572 20 0 GHADMP Cc1cccc([C@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000539851187 869883635 /nfs/dbraw/zinc/88/36/35/869883635.db2.gz WFCQMUXSTDOXIN-JOCHJYFZSA-N 2 1 379.552 3.572 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)c2)CC1 ZINC000539872365 869941292 /nfs/dbraw/zinc/94/12/92/869941292.db2.gz CBXJAXDTBSQZHE-FCHUYYIVSA-N 2 1 384.568 3.709 20 0 GHADMP COc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1O ZINC000092405065 882358301 /nfs/dbraw/zinc/35/83/01/882358301.db2.gz YDZRWSUYZZQTBP-UHFFFAOYSA-N 2 1 383.536 3.563 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539894405 869979356 /nfs/dbraw/zinc/97/93/56/869979356.db2.gz MWADTCRWPREXBB-BHIFYINESA-N 2 1 382.552 3.679 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539894405 869979368 /nfs/dbraw/zinc/97/93/68/869979368.db2.gz MWADTCRWPREXBB-BHIFYINESA-N 2 1 382.552 3.679 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462745230 870013285 /nfs/dbraw/zinc/01/32/85/870013285.db2.gz OTTGGIDGKWPKAO-JOCHJYFZSA-N 2 1 388.600 3.518 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000446592406 870042088 /nfs/dbraw/zinc/04/20/88/870042088.db2.gz WSFSKROHKOAQPJ-NQIIRXRSSA-N 2 1 380.536 3.575 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n(C)c1C ZINC000462787691 870079719 /nfs/dbraw/zinc/07/97/19/870079719.db2.gz CAEMBCAMYNNBEZ-HDICACEKSA-N 2 1 397.563 3.888 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cnn1C(C)C ZINC000191164647 882372625 /nfs/dbraw/zinc/37/26/25/882372625.db2.gz DDUKJAYGLHQISX-WMZHIEFXSA-N 2 1 383.584 3.802 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000539967193 870124669 /nfs/dbraw/zinc/12/46/69/870124669.db2.gz DLCQQCMLDCBFGI-MJGOQNOKSA-N 2 1 381.358 3.653 20 0 GHADMP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000462819027 870152198 /nfs/dbraw/zinc/15/21/98/870152198.db2.gz SFBWKPLBKMIKBZ-BAGYTPMASA-N 2 1 378.564 3.689 20 0 GHADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247965469 870248282 /nfs/dbraw/zinc/24/82/82/870248282.db2.gz GTLKCZPCZPVMMS-DENIHFKCSA-N 2 1 379.548 3.852 20 0 GHADMP CC(C)C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccn1 ZINC000248069063 870279286 /nfs/dbraw/zinc/27/92/86/870279286.db2.gz MLEGIVMKWXMHKA-FYYLOGMGSA-N 2 1 394.563 3.656 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001205591730 870297972 /nfs/dbraw/zinc/29/79/72/870297972.db2.gz OKYMAMYSPBMMOL-HNNXBMFYSA-N 2 1 381.236 3.703 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000122091440 882396310 /nfs/dbraw/zinc/39/63/10/882396310.db2.gz NLKYRDLLAFIXGJ-UHFFFAOYSA-N 2 1 390.528 3.517 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000122091440 882396332 /nfs/dbraw/zinc/39/63/32/882396332.db2.gz NLKYRDLLAFIXGJ-UHFFFAOYSA-N 2 1 390.528 3.517 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000525300745 870354917 /nfs/dbraw/zinc/35/49/17/870354917.db2.gz OVISXPPCWHXRPC-HKUYNNGSSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000525300745 870354934 /nfs/dbraw/zinc/35/49/34/870354934.db2.gz OVISXPPCWHXRPC-HKUYNNGSSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000525300745 870354953 /nfs/dbraw/zinc/35/49/53/870354953.db2.gz OVISXPPCWHXRPC-HKUYNNGSSA-N 2 1 392.613 3.647 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCOCC4CCOCC4)[C@@H]3C2)cc1 ZINC000248392836 870362918 /nfs/dbraw/zinc/36/29/18/870362918.db2.gz DILVEMTXBWBNKK-RBZQAINGSA-N 2 1 386.580 3.710 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248393217 870363047 /nfs/dbraw/zinc/36/30/47/870363047.db2.gz DPILPQBTDGSPBH-IEIRFRATSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393217 870363065 /nfs/dbraw/zinc/36/30/65/870363065.db2.gz DPILPQBTDGSPBH-IEIRFRATSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393217 870363076 /nfs/dbraw/zinc/36/30/76/870363076.db2.gz DPILPQBTDGSPBH-IEIRFRATSA-N 2 1 383.580 3.810 20 0 GHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000191810334 870388839 /nfs/dbraw/zinc/38/88/39/870388839.db2.gz NCKGQIQKJAJYPY-OAHLLOKOSA-N 2 1 383.462 3.659 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000191810334 870388857 /nfs/dbraw/zinc/38/88/57/870388857.db2.gz NCKGQIQKJAJYPY-OAHLLOKOSA-N 2 1 383.462 3.659 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(N4CCCC4)c2)C3)cc1 ZINC000248417029 870395217 /nfs/dbraw/zinc/39/52/17/870395217.db2.gz JFKYGQAONFPQAC-NUNAXRQHSA-N 2 1 376.548 3.967 20 0 GHADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCC2 ZINC000248457048 870432895 /nfs/dbraw/zinc/43/28/95/870432895.db2.gz SSQGOWSARXDEAC-OALUTQOASA-N 2 1 385.577 3.829 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Oc1cccnc1 ZINC000538761679 870535577 /nfs/dbraw/zinc/53/55/77/870535577.db2.gz TWYSCUYGTHMHHW-JOCHJYFZSA-N 2 1 394.563 3.783 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000538772978 870584632 /nfs/dbraw/zinc/58/46/32/870584632.db2.gz UJHVXCSZELMNFC-OAQYLSRUSA-N 2 1 386.584 3.767 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248779727 870631539 /nfs/dbraw/zinc/63/15/39/870631539.db2.gz WFJYIENCOXIHOL-GHTZIAJQSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248779727 870631543 /nfs/dbraw/zinc/63/15/43/870631543.db2.gz WFJYIENCOXIHOL-GHTZIAJQSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174126534 882428550 /nfs/dbraw/zinc/42/85/50/882428550.db2.gz IXCQAFRHUNLCGV-CVDCTZTESA-N 2 1 379.548 3.873 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)ncn1 ZINC000540174520 870664093 /nfs/dbraw/zinc/66/40/93/870664093.db2.gz FBFFLAUVFSFARI-AJSBUHFISA-N 2 1 393.579 3.508 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)ncn1 ZINC000540174520 870664099 /nfs/dbraw/zinc/66/40/99/870664099.db2.gz FBFFLAUVFSFARI-AJSBUHFISA-N 2 1 393.579 3.508 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000446888854 870686265 /nfs/dbraw/zinc/68/62/65/870686265.db2.gz OBDFPNSESPYOTO-QHCPKHFHSA-N 2 1 397.588 3.938 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000122147160 882437101 /nfs/dbraw/zinc/43/71/01/882437101.db2.gz FTCMCMITGOFRDR-UHFFFAOYSA-N 2 1 387.572 3.583 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001192902099 870758831 /nfs/dbraw/zinc/75/88/31/870758831.db2.gz RAFBACYUUPUXEP-FPOVZHCZSA-N 2 1 390.591 3.881 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001192902099 870758838 /nfs/dbraw/zinc/75/88/38/870758838.db2.gz RAFBACYUUPUXEP-FPOVZHCZSA-N 2 1 390.591 3.881 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000448474013 870763319 /nfs/dbraw/zinc/76/33/19/870763319.db2.gz UVRQWFRSMDHVHL-YADHBBJMSA-N 2 1 392.632 3.508 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)cc1 ZINC001192908962 870763492 /nfs/dbraw/zinc/76/34/92/870763492.db2.gz ARXARIHWJASRTJ-LJQANCHMSA-N 2 1 380.454 3.802 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000249173925 870778919 /nfs/dbraw/zinc/77/89/19/870778919.db2.gz DGSYFVKGPTUAGL-IFMALSPDSA-N 2 1 383.511 3.764 20 0 GHADMP CC[C@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@@H](CC)CN1CCC[NH+]1CCCCC1 ZINC000249393521 870819909 /nfs/dbraw/zinc/81/99/09/870819909.db2.gz RGEKTNMKEVIEOH-ZEQRLZLVSA-N 3 1 392.676 3.913 20 0 GHADMP CC[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@@H](CC)CN1CCC[NH+]1CCCCC1 ZINC000249393521 870819924 /nfs/dbraw/zinc/81/99/24/870819924.db2.gz RGEKTNMKEVIEOH-ZEQRLZLVSA-N 3 1 392.676 3.913 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249727391 870890048 /nfs/dbraw/zinc/89/00/48/870890048.db2.gz RIDWIOIMRCLRHY-MOPGFXCFSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249727391 870890060 /nfs/dbraw/zinc/89/00/60/870890060.db2.gz RIDWIOIMRCLRHY-MOPGFXCFSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249728752 870893199 /nfs/dbraw/zinc/89/31/99/870893199.db2.gz WFAOBVPMYCVHPC-RBUKOAKNSA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249728752 870893211 /nfs/dbraw/zinc/89/32/11/870893211.db2.gz WFAOBVPMYCVHPC-RBUKOAKNSA-N 2 1 397.567 3.701 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1)CC1CC1 ZINC000538930711 870910090 /nfs/dbraw/zinc/91/00/90/870910090.db2.gz BPXZNKIZWXQOME-UHFFFAOYSA-N 2 1 377.598 3.784 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463129955 870948145 /nfs/dbraw/zinc/94/81/45/870948145.db2.gz DQSIAQYJWMJHKV-HYBUGGRVSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463129955 870948151 /nfs/dbraw/zinc/94/81/51/870948151.db2.gz DQSIAQYJWMJHKV-HYBUGGRVSA-N 2 1 378.564 3.689 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC000463120225 870958446 /nfs/dbraw/zinc/95/84/46/870958446.db2.gz UKIXVJDEIFSYAP-HJNYFJLDSA-N 2 1 379.548 3.917 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC000463120225 870958453 /nfs/dbraw/zinc/95/84/53/870958453.db2.gz UKIXVJDEIFSYAP-HJNYFJLDSA-N 2 1 379.548 3.917 20 0 GHADMP [NH3+][C@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)C1 ZINC001156233643 871004071 /nfs/dbraw/zinc/00/40/71/871004071.db2.gz UPLIYNCCCXWUFP-AWEZNQCLSA-N 2 1 399.589 3.943 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000516198199 882477147 /nfs/dbraw/zinc/47/71/47/882477147.db2.gz JPIRNKCPYZUYIP-PWRODBHTSA-N 2 1 385.577 3.547 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000516198199 882477153 /nfs/dbraw/zinc/47/71/53/882477153.db2.gz JPIRNKCPYZUYIP-PWRODBHTSA-N 2 1 385.577 3.547 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000251514073 871145299 /nfs/dbraw/zinc/14/52/99/871145299.db2.gz JAISLOCNENVASQ-QDSKXPNFSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000251514073 871145302 /nfs/dbraw/zinc/14/53/02/871145302.db2.gz JAISLOCNENVASQ-QDSKXPNFSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039678 871154166 /nfs/dbraw/zinc/15/41/66/871154166.db2.gz YJOQONPFLIQZCM-RDPSFJRHSA-N 3 1 378.564 3.798 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039678 871154188 /nfs/dbraw/zinc/15/41/88/871154188.db2.gz YJOQONPFLIQZCM-RDPSFJRHSA-N 2 1 378.564 3.798 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(S(C)(=O)=O)c3)cc2)C1 ZINC000449080817 871197392 /nfs/dbraw/zinc/19/73/92/871197392.db2.gz ZKJDIPNGPRGOQG-SFHVURJKSA-N 2 1 386.561 3.612 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1)C2 ZINC001169092230 871201992 /nfs/dbraw/zinc/20/19/92/871201992.db2.gz AHVLJAODRTUTRZ-ADAARDCZSA-N 2 1 385.552 3.952 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169119023 871210769 /nfs/dbraw/zinc/21/07/69/871210769.db2.gz OWGGJONVIZDNIF-LDLYASANSA-N 2 1 395.469 3.525 20 0 GHADMP CC[C@@H](C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)[NH+](C)C ZINC000540421113 871236526 /nfs/dbraw/zinc/23/65/26/871236526.db2.gz FOYRQMKFQYHEPX-RTWAWAEBSA-N 2 1 375.557 3.745 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539065927 871239351 /nfs/dbraw/zinc/23/93/51/871239351.db2.gz DWNCHEZGTNYSFA-SIKLNZKXSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000539065927 871239373 /nfs/dbraw/zinc/23/93/73/871239373.db2.gz DWNCHEZGTNYSFA-SIKLNZKXSA-N 2 1 383.580 3.810 20 0 GHADMP CCC(CC)(CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000252443780 871298018 /nfs/dbraw/zinc/29/80/18/871298018.db2.gz OYYPWANMAZCAGI-MOPGFXCFSA-N 2 1 386.584 3.680 20 0 GHADMP CCN1CCC([NH2+]CC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC001169238636 871334835 /nfs/dbraw/zinc/33/48/35/871334835.db2.gz KMDBELIDODMTMV-UHFFFAOYSA-N 2 1 394.401 3.735 20 0 GHADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463267882 871335010 /nfs/dbraw/zinc/33/50/10/871335010.db2.gz QJEMQTOHQBUFHS-HXUWFJFHSA-N 2 1 383.555 3.943 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463267882 871335034 /nfs/dbraw/zinc/33/50/34/871335034.db2.gz QJEMQTOHQBUFHS-HXUWFJFHSA-N 2 1 383.555 3.943 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001169258967 871354377 /nfs/dbraw/zinc/35/43/77/871354377.db2.gz WOOAMLBWKMOZKZ-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)c(Br)o2)CCC[C@H]1C[NH3+] ZINC001206005936 871398173 /nfs/dbraw/zinc/39/81/73/871398173.db2.gz ZJRLUZKSBRJORP-ZJUUUORDSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cc(Br)c(Br)o2)CCC[C@H]1C[NH3+] ZINC001206005936 871398153 /nfs/dbraw/zinc/39/81/53/871398153.db2.gz ZJRLUZKSBRJORP-ZJUUUORDSA-N 2 1 380.124 3.611 20 0 GHADMP C[N@H+](CCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CCCC1 ZINC000462015743 871468446 /nfs/dbraw/zinc/46/84/46/871468446.db2.gz OZDIYQVZWIJNTR-UHFFFAOYSA-N 2 1 379.548 3.679 20 0 GHADMP C[N@@H+](CCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CCCC1 ZINC000462015743 871468453 /nfs/dbraw/zinc/46/84/53/871468453.db2.gz OZDIYQVZWIJNTR-UHFFFAOYSA-N 2 1 379.548 3.679 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)o1 ZINC000618355190 871519441 /nfs/dbraw/zinc/51/94/41/871519441.db2.gz REDFYGSNRSZDNN-HXUWFJFHSA-N 2 1 383.536 3.510 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000525834521 871520005 /nfs/dbraw/zinc/52/00/05/871520005.db2.gz MDSOYRSYIYEMGH-ARFHVFGLSA-N 2 1 375.504 3.747 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000463363502 871537784 /nfs/dbraw/zinc/53/77/84/871537784.db2.gz YDTITIKOLVDNMW-DOTOQJQBSA-N 2 1 399.373 3.735 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cc1OCCCO ZINC000463363502 871537791 /nfs/dbraw/zinc/53/77/91/871537791.db2.gz YDTITIKOLVDNMW-DOTOQJQBSA-N 2 1 399.373 3.735 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191580567 882523202 /nfs/dbraw/zinc/52/32/02/882523202.db2.gz SOCGGOLGPLFPMW-HSZRJFAPSA-N 2 1 380.532 3.722 20 0 GHADMP CC(C)([NH3+])c1ccccc1N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517605 871625152 /nfs/dbraw/zinc/62/51/52/871625152.db2.gz FJHOXSLKADBNLR-RXVVDRJESA-N 2 1 381.520 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC001169554640 871633969 /nfs/dbraw/zinc/63/39/69/871633969.db2.gz LWRPWWBBTHYLOS-APWZRJJASA-N 2 1 383.374 3.984 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001169667466 871736920 /nfs/dbraw/zinc/73/69/20/871736920.db2.gz BKNJHPMQIRDTGY-GOSISDBHSA-N 2 1 379.932 3.601 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC001169677880 871744388 /nfs/dbraw/zinc/74/43/88/871744388.db2.gz LGPWQFZEAYFKAO-BAGYTPMASA-N 2 1 387.568 3.745 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462188678 871752894 /nfs/dbraw/zinc/75/28/94/871752894.db2.gz LLMWVNFPNSSEQF-WMZHIEFXSA-N 2 1 379.548 3.779 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001169695434 871765378 /nfs/dbraw/zinc/76/53/78/871765378.db2.gz YLBIBKFLPYVPSD-FQEVSTJZSA-N 2 1 389.540 3.579 20 0 GHADMP OC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000447536683 871798949 /nfs/dbraw/zinc/79/89/49/871798949.db2.gz PFUADIKIKOPEIG-BUZMGHMJSA-N 2 1 382.523 3.762 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169713470 871801209 /nfs/dbraw/zinc/80/12/09/871801209.db2.gz NTKPNLRKUWRWJY-ZLNRFVROSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169713470 871801225 /nfs/dbraw/zinc/80/12/25/871801225.db2.gz NTKPNLRKUWRWJY-ZLNRFVROSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001169713470 871801241 /nfs/dbraw/zinc/80/12/41/871801241.db2.gz NTKPNLRKUWRWJY-ZLNRFVROSA-N 2 1 399.579 3.841 20 0 GHADMP O=C(C1CCC1)N(CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447585093 871889043 /nfs/dbraw/zinc/88/90/43/871889043.db2.gz IBUBJZIADVADFE-ULPXVVAUSA-N 2 1 395.591 3.953 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000775620164 872016489 /nfs/dbraw/zinc/01/64/89/872016489.db2.gz BPBOBOUDTSINEO-LEWJYISDSA-N 2 1 387.568 3.995 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000477909642 872117282 /nfs/dbraw/zinc/11/72/82/872117282.db2.gz DYQPTIJABJXSQA-MONBJTKQSA-N 2 1 388.502 3.616 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000447726610 872166413 /nfs/dbraw/zinc/16/64/13/872166413.db2.gz GOJGPGDDEGWLIG-UHFFFAOYSA-N 2 1 379.492 3.732 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C(F)(F)F)s2)CC1 ZINC000447726610 872166440 /nfs/dbraw/zinc/16/64/40/872166440.db2.gz GOJGPGDDEGWLIG-UHFFFAOYSA-N 2 1 379.492 3.732 20 0 GHADMP CCC[N@H+](Cc1cccc2c1OCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417545 872166597 /nfs/dbraw/zinc/16/65/97/872166597.db2.gz QRRFJHWFLYLKBR-UHFFFAOYSA-N 2 1 382.508 3.703 20 0 GHADMP CCC[N@@H+](Cc1cccc2c1OCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417545 872166609 /nfs/dbraw/zinc/16/66/09/872166609.db2.gz QRRFJHWFLYLKBR-UHFFFAOYSA-N 2 1 382.508 3.703 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000477917308 872176288 /nfs/dbraw/zinc/17/62/88/872176288.db2.gz GQARIRDENKCBQB-WTNAPCKOSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000618985667 872214542 /nfs/dbraw/zinc/21/45/42/872214542.db2.gz MQQMGTWSFXQPAO-AZUAARDMSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCCc2c(F)cccc2Cl)CC1 ZINC000447736525 872224886 /nfs/dbraw/zinc/22/48/86/872224886.db2.gz NDUKUYQNKQOORJ-HDICACEKSA-N 2 1 381.967 3.902 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000552228760 872254123 /nfs/dbraw/zinc/25/41/23/872254123.db2.gz VGSWMWUOJGEYOH-SNDHGLFQSA-N 2 1 385.596 3.663 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000552283950 872345095 /nfs/dbraw/zinc/34/50/95/872345095.db2.gz NREQEGRBJBQQHC-ZJOUEHCJSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834863 872373057 /nfs/dbraw/zinc/37/30/57/872373057.db2.gz LXWYXBQTURRXLB-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1Cc1cccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834863 872373096 /nfs/dbraw/zinc/37/30/96/872373096.db2.gz LXWYXBQTURRXLB-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1Cc1cccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834863 872373106 /nfs/dbraw/zinc/37/31/06/872373106.db2.gz LXWYXBQTURRXLB-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000619176541 872394056 /nfs/dbraw/zinc/39/40/56/872394056.db2.gz BXSTVIPSZPWNJY-UHFFFAOYSA-N 2 1 385.471 3.720 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@@H](C)[NH+]3CCCCC3)c2C)cc1 ZINC000463738439 872454935 /nfs/dbraw/zinc/45/49/35/872454935.db2.gz IMHLVHVJQYNUFU-GOSISDBHSA-N 2 1 384.568 3.911 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1OC(F)F ZINC000478246029 872728312 /nfs/dbraw/zinc/72/83/12/872728312.db2.gz AUZQVDQWKLWQQC-UHFFFAOYSA-N 2 1 375.257 3.710 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cc(C)ccc2C)cc1 ZINC000541022668 872737749 /nfs/dbraw/zinc/73/77/49/872737749.db2.gz LEGKBLMEJQKOTO-PGRDOPGGSA-N 2 1 379.504 3.888 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000552516492 872756645 /nfs/dbraw/zinc/75/66/45/872756645.db2.gz VLCUFYKKOABLKW-QHCPKHFHSA-N 2 1 391.559 3.804 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000527233028 872887614 /nfs/dbraw/zinc/88/76/14/872887614.db2.gz BDMDTSRPEYPYDG-FXAWDEMLSA-N 2 1 395.572 3.990 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000527298947 872975408 /nfs/dbraw/zinc/97/54/08/872975408.db2.gz KGYDRBDRACAVTR-HDAKTPJGSA-N 2 1 392.971 3.943 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000527298947 872975417 /nfs/dbraw/zinc/97/54/17/872975417.db2.gz KGYDRBDRACAVTR-HDAKTPJGSA-N 2 1 392.971 3.943 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000527298945 872976202 /nfs/dbraw/zinc/97/62/02/872976202.db2.gz KGYDRBDRACAVTR-DUFJLWIISA-N 2 1 392.971 3.943 20 0 GHADMP CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541150531 873030165 /nfs/dbraw/zinc/03/01/65/873030165.db2.gz QBAHJERWHYQGLS-ZWKOTPCHSA-N 2 1 398.954 3.596 20 0 GHADMP CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541150531 873030184 /nfs/dbraw/zinc/03/01/84/873030184.db2.gz QBAHJERWHYQGLS-ZWKOTPCHSA-N 2 1 398.954 3.596 20 0 GHADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000768104191 873083353 /nfs/dbraw/zinc/08/33/53/873083353.db2.gz XAKXHTBKCWFAJA-VWNXMTODSA-N 2 1 380.532 3.689 20 0 GHADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000768104191 873083364 /nfs/dbraw/zinc/08/33/64/873083364.db2.gz XAKXHTBKCWFAJA-VWNXMTODSA-N 2 1 380.532 3.689 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C[C@H](C)O1 ZINC000464067733 873142609 /nfs/dbraw/zinc/14/26/09/873142609.db2.gz PUEWRYJUEUHINY-ABPIBVIQSA-N 2 1 386.580 3.981 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000448346325 873269810 /nfs/dbraw/zinc/26/98/10/873269810.db2.gz XKGCEVBLEREWCL-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858013571 882721426 /nfs/dbraw/zinc/72/14/26/882721426.db2.gz SZXKXISNAXNIGS-QFIPXVFZSA-N 2 1 394.563 3.575 20 0 GHADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541422251 873529971 /nfs/dbraw/zinc/52/99/71/873529971.db2.gz DYSILWCXOGIPFF-FPOVZHCZSA-N 2 1 398.595 3.684 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541422251 873529977 /nfs/dbraw/zinc/52/99/77/873529977.db2.gz DYSILWCXOGIPFF-FPOVZHCZSA-N 2 1 398.595 3.684 20 0 GHADMP COc1cccc([C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)OC)c1 ZINC000527737368 873540910 /nfs/dbraw/zinc/54/09/10/873540910.db2.gz NFALNNOXSVQJMI-QHCPKHFHSA-N 2 1 386.511 3.819 20 0 GHADMP COc1ccc([C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)cc1 ZINC001197052999 873540819 /nfs/dbraw/zinc/54/08/19/873540819.db2.gz ZFLLFAHGPBGXKE-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP COc1ccc([C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)cc1 ZINC001197052999 873540825 /nfs/dbraw/zinc/54/08/25/873540825.db2.gz ZFLLFAHGPBGXKE-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000527788507 873574281 /nfs/dbraw/zinc/57/42/81/873574281.db2.gz UEQOIMPBCRDJDV-FYYLOGMGSA-N 2 1 385.596 3.866 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc(-c4ccccc4)n(C)n3)CC2)nc(C)[nH+]1 ZINC000527863229 873687533 /nfs/dbraw/zinc/68/75/33/873687533.db2.gz CUGOJWDOUPJZQE-QGZVFWFLSA-N 2 1 390.535 3.814 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)cc2)C1 ZINC000448723147 873817019 /nfs/dbraw/zinc/81/70/19/873817019.db2.gz GWBNGTSKHBOTJE-KRWDZBQOSA-N 2 1 375.476 3.752 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)cc2)C1 ZINC000448723147 873817027 /nfs/dbraw/zinc/81/70/27/873817027.db2.gz GWBNGTSKHBOTJE-KRWDZBQOSA-N 2 1 375.476 3.752 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000541582089 873870439 /nfs/dbraw/zinc/87/04/39/873870439.db2.gz KCUFBTZILIOVOD-JTSKRJEESA-N 2 1 383.561 3.694 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(O)c2OC)CC1 ZINC000494663724 882774280 /nfs/dbraw/zinc/77/42/80/882774280.db2.gz HTXGDOALGPWAJJ-MRXNPFEDSA-N 2 1 387.499 3.533 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528150938 874091970 /nfs/dbraw/zinc/09/19/70/874091970.db2.gz GTIMBVBEDBLKGL-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ccccc3)c3cncnc3)CC2)oc1C ZINC000541734652 874191890 /nfs/dbraw/zinc/19/18/90/874191890.db2.gz OGIWTCPQSXEWDV-QHCPKHFHSA-N 2 1 391.519 3.673 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000449079799 874462533 /nfs/dbraw/zinc/46/25/33/874462533.db2.gz QCAHCPCGPSEXQL-FQEVSTJZSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000449094099 874493771 /nfs/dbraw/zinc/49/37/71/874493771.db2.gz ZPYIXZJCXFEBTF-NRFANRHFSA-N 3 1 395.591 3.812 20 0 GHADMP C[C@@H](C[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449093582 874495336 /nfs/dbraw/zinc/49/53/36/874495336.db2.gz PCUKQHYJXHGXRO-KSZLIROESA-N 2 1 380.598 3.540 20 0 GHADMP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122332 874504974 /nfs/dbraw/zinc/50/49/74/874504974.db2.gz KYHVQINRPFOJST-NQIIRXRSSA-N 2 1 392.609 3.828 20 0 GHADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449174916 874553089 /nfs/dbraw/zinc/55/30/89/874553089.db2.gz IXVCUMKIRHJERJ-DUWWHKKTSA-N 2 1 376.610 3.751 20 0 GHADMP C[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000508878261 874598981 /nfs/dbraw/zinc/59/89/81/874598981.db2.gz JVPUMDRBPOANCR-SQJMNOBHSA-N 2 1 377.576 3.776 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccnc3c(Br)cccc23)CCCO1 ZINC000449281258 874665826 /nfs/dbraw/zinc/66/58/26/874665826.db2.gz CVCKCKGIQIOOJZ-OAHLLOKOSA-N 2 1 392.341 3.588 20 0 GHADMP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c(Br)n1 ZINC000858116897 882858282 /nfs/dbraw/zinc/85/82/82/882858282.db2.gz SDHCDKCAZNCYNL-UHFFFAOYSA-N 2 1 391.357 3.848 20 0 GHADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cnc(-c2ccccc2F)s1 ZINC000449328926 874713473 /nfs/dbraw/zinc/71/34/73/874713473.db2.gz LRUUJCNESFYDSL-UHFFFAOYSA-N 2 1 390.572 3.799 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(Br)c1F ZINC000449330182 874713512 /nfs/dbraw/zinc/71/35/12/874713512.db2.gz SITHGUQQWIGPHP-UHFFFAOYSA-N 2 1 396.304 3.604 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC000528657598 874843172 /nfs/dbraw/zinc/84/31/72/874843172.db2.gz RQFKLLYQKGGUMF-OUFMZXHOSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC000528657598 874843188 /nfs/dbraw/zinc/84/31/88/874843188.db2.gz RQFKLLYQKGGUMF-OUFMZXHOSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC000528657598 874843205 /nfs/dbraw/zinc/84/32/05/874843205.db2.gz RQFKLLYQKGGUMF-OUFMZXHOSA-N 2 1 383.580 3.524 20 0 GHADMP Cn1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(-c2cc(F)ccc2F)n1 ZINC001199237796 874866687 /nfs/dbraw/zinc/86/66/87/874866687.db2.gz GDNUFMITGFAEET-UHFFFAOYSA-N 2 1 396.485 3.903 20 0 GHADMP Cn1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(-c2cc(F)ccc2F)n1 ZINC001199237796 874866703 /nfs/dbraw/zinc/86/67/03/874866703.db2.gz GDNUFMITGFAEET-UHFFFAOYSA-N 2 1 396.485 3.903 20 0 GHADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc(Br)c1O ZINC001199336788 874909771 /nfs/dbraw/zinc/90/97/71/874909771.db2.gz WVTGJDGDJIXQEH-AWEZNQCLSA-N 2 1 385.346 3.765 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001199329337 874928471 /nfs/dbraw/zinc/92/84/71/874928471.db2.gz QTDLDWHKGDUHHT-UHFFFAOYSA-N 2 1 386.927 3.998 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001199329045 874928711 /nfs/dbraw/zinc/92/87/11/874928711.db2.gz MAIJKMCNUGQZBC-FGZHOGPDSA-N 3 1 386.628 3.676 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528705334 874932855 /nfs/dbraw/zinc/93/28/55/874932855.db2.gz UFKIJJUWBVOOIS-DNVJHFABSA-N 2 1 385.596 3.581 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528705334 874932861 /nfs/dbraw/zinc/93/28/61/874932861.db2.gz UFKIJJUWBVOOIS-DNVJHFABSA-N 2 1 385.596 3.581 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528705334 874932865 /nfs/dbraw/zinc/93/28/65/874932865.db2.gz UFKIJJUWBVOOIS-DNVJHFABSA-N 2 1 385.596 3.581 20 0 GHADMP COc1ccc2c(c1)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CCO2 ZINC000449524986 875002715 /nfs/dbraw/zinc/00/27/15/875002715.db2.gz QAUCWYCICPEBFO-UHFFFAOYSA-N 2 1 395.547 3.620 20 0 GHADMP COc1ccc2c(c1)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CCO2 ZINC000449524986 875002728 /nfs/dbraw/zinc/00/27/28/875002728.db2.gz QAUCWYCICPEBFO-UHFFFAOYSA-N 2 1 395.547 3.620 20 0 GHADMP C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001199600108 875070591 /nfs/dbraw/zinc/07/05/91/875070591.db2.gz RSLSXMOXVHXCBC-RPWUZVMVSA-N 2 1 377.576 3.946 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000449597752 875101102 /nfs/dbraw/zinc/10/11/02/875101102.db2.gz ZTFDOJTZDQIYBM-PIIZRUITSA-N 2 1 394.563 3.531 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000528971586 875339080 /nfs/dbraw/zinc/33/90/80/875339080.db2.gz QGNBVFGMMPYDQQ-FQEVSTJZSA-N 2 1 388.556 3.546 20 0 GHADMP Cc1cccc([C@H]2CC[N@@H+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC000542323749 875387690 /nfs/dbraw/zinc/38/76/90/875387690.db2.gz ZMKPWRTXCHNCKO-DEOSSOPVSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475737200 882937846 /nfs/dbraw/zinc/93/78/46/882937846.db2.gz CWZPTUGOGYVLQH-CVEARBPZSA-N 2 1 377.960 3.507 20 0 GHADMP CN(Cc1c[nH]nc1-c1ccc(Br)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000529524360 876283405 /nfs/dbraw/zinc/28/34/05/876283405.db2.gz SUHKWPDLBHERCI-LBPRGKRZSA-N 2 1 383.359 3.674 20 0 GHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C[C@H]1CCC[NH+](C)C1 ZINC000529524360 876283417 /nfs/dbraw/zinc/28/34/17/876283417.db2.gz SUHKWPDLBHERCI-LBPRGKRZSA-N 2 1 383.359 3.674 20 0 GHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C[C@H]1CCC[NH+](C)C1 ZINC000529524360 876283432 /nfs/dbraw/zinc/28/34/32/876283432.db2.gz SUHKWPDLBHERCI-LBPRGKRZSA-N 2 1 383.359 3.674 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529567184 876340385 /nfs/dbraw/zinc/34/03/85/876340385.db2.gz JNOWFTYDYPROFD-UHFFFAOYSA-N 2 1 394.342 3.928 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529567184 876340393 /nfs/dbraw/zinc/34/03/93/876340393.db2.gz JNOWFTYDYPROFD-UHFFFAOYSA-N 2 1 394.342 3.928 20 0 GHADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccc(F)cc2)cc1 ZINC000492224731 876448925 /nfs/dbraw/zinc/44/89/25/876448925.db2.gz NTSYJYGSJRNAFW-JTHBVZDNSA-N 2 1 386.511 3.750 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4ccccc43)c2)C1 ZINC000108420989 876467253 /nfs/dbraw/zinc/46/72/53/876467253.db2.gz MLQDRZOVJQKBCL-QHCPKHFHSA-N 2 1 387.527 3.827 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000850012592 876598119 /nfs/dbraw/zinc/59/81/19/876598119.db2.gz NBAVRHVQOPAISH-UHFFFAOYSA-N 2 1 387.568 3.942 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000858361812 883048594 /nfs/dbraw/zinc/04/85/94/883048594.db2.gz DLWOKTMXUOUNPO-LSTHTHJFSA-N 2 1 390.572 3.985 20 0 GHADMP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(C)n1 ZINC000850397687 876878987 /nfs/dbraw/zinc/87/89/87/876878987.db2.gz HZEAVKHPBXCRRH-URXFXBBRSA-N 2 1 380.580 3.736 20 0 GHADMP C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850566089 877032353 /nfs/dbraw/zinc/03/23/53/877032353.db2.gz VGQQMCKZJBFOQA-ZIYPLYSNSA-N 2 1 399.579 3.886 20 0 GHADMP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858426423 883089335 /nfs/dbraw/zinc/08/93/35/883089335.db2.gz QFOWLHKHKRFKNG-OAQYLSRUSA-N 2 1 377.532 3.989 20 0 GHADMP C[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000315394762 877251213 /nfs/dbraw/zinc/25/12/13/877251213.db2.gz DSZBMCYRKVUFDE-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218322 877303207 /nfs/dbraw/zinc/30/32/07/877303207.db2.gz VXVULPYREBSZPX-IAQYHMDHSA-N 2 1 389.849 3.950 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000746675235 877327446 /nfs/dbraw/zinc/32/74/46/877327446.db2.gz LUJBHWPHTMKKCN-GCJKJVERSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000746675235 877327455 /nfs/dbraw/zinc/32/74/55/877327455.db2.gz LUJBHWPHTMKKCN-GCJKJVERSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000746675237 877328060 /nfs/dbraw/zinc/32/80/60/877328060.db2.gz LUJBHWPHTMKKCN-PGRDOPGGSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000746675237 877328073 /nfs/dbraw/zinc/32/80/73/877328073.db2.gz LUJBHWPHTMKKCN-PGRDOPGGSA-N 2 1 383.536 3.600 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000136746855 877361714 /nfs/dbraw/zinc/36/17/14/877361714.db2.gz PRRREFCWOXQZNC-DHIUTWEWSA-N 2 1 398.595 3.544 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000551538707 877405797 /nfs/dbraw/zinc/40/57/97/877405797.db2.gz MEWBVBHSOJYSOD-DQMJNTIXSA-N 2 1 380.532 3.809 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642642327 912240667 /nfs/dbraw/zinc/24/06/67/912240667.db2.gz WJVWOKCSRJEUPW-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc(Br)c1OC ZINC000666999500 877496889 /nfs/dbraw/zinc/49/68/89/877496889.db2.gz PYLVQGDATXMKSV-CQSZACIVSA-N 2 1 383.330 3.621 20 0 GHADMP CSc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000245462136 877928311 /nfs/dbraw/zinc/92/83/11/877928311.db2.gz NNVJZGWIVFVRED-LAUBAEHRSA-N 2 1 397.588 3.957 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477624915 877939132 /nfs/dbraw/zinc/93/91/32/877939132.db2.gz HWRVFMZWLNLZBE-DDUZABMNSA-N 2 1 383.939 3.755 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000788244595 877946066 /nfs/dbraw/zinc/94/60/66/877946066.db2.gz NTWWPNXDMOUBJW-DYESRHJHSA-N 2 1 387.568 3.727 20 0 GHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C1CC[NH+](C)CC1 ZINC000285438922 912292467 /nfs/dbraw/zinc/29/24/67/912292467.db2.gz LELAIHJWEIXMPF-NSHDSACASA-N 2 1 377.838 3.760 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1F ZINC000477619837 877957766 /nfs/dbraw/zinc/95/77/66/877957766.db2.gz ZFTHGPGCAPGWSY-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000245538424 878071416 /nfs/dbraw/zinc/07/14/16/878071416.db2.gz NAKPYOAMPYMMBJ-FYYLOGMGSA-N 2 1 398.595 3.801 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000245538430 878071566 /nfs/dbraw/zinc/07/15/66/878071566.db2.gz NAKPYOAMPYMMBJ-JTHBVZDNSA-N 2 1 398.595 3.801 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000530574216 878091943 /nfs/dbraw/zinc/09/19/43/878091943.db2.gz MRUYVVJAYYFQQM-QFIPXVFZSA-N 2 1 381.520 3.620 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[NH+](CCCCC[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)C1 ZINC000411940961 878142797 /nfs/dbraw/zinc/14/27/97/878142797.db2.gz LKWGCTLNJPMFRN-ZFFYZDHPSA-N 2 1 394.559 3.773 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCCC[NH+]2C[C@@H](O)C[C@@H]2c2ccccc2)C1 ZINC000411940961 878142813 /nfs/dbraw/zinc/14/28/13/878142813.db2.gz LKWGCTLNJPMFRN-ZFFYZDHPSA-N 2 1 394.559 3.773 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCCCC[NH+]2C[C@@H](O)C[C@@H]2c2ccccc2)C1 ZINC000411940961 878142823 /nfs/dbraw/zinc/14/28/23/878142823.db2.gz LKWGCTLNJPMFRN-ZFFYZDHPSA-N 2 1 394.559 3.773 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000615893825 878229688 /nfs/dbraw/zinc/22/96/88/878229688.db2.gz DCMRANVLDNZENA-FYYLOGMGSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000615893825 878229704 /nfs/dbraw/zinc/22/97/04/878229704.db2.gz DCMRANVLDNZENA-FYYLOGMGSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000615893825 878229722 /nfs/dbraw/zinc/22/97/22/878229722.db2.gz DCMRANVLDNZENA-FYYLOGMGSA-N 2 1 398.595 3.877 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000245627657 878238053 /nfs/dbraw/zinc/23/80/53/878238053.db2.gz GYKUUBPMPNRVKE-XZOQPEGZSA-N 2 1 392.547 3.527 20 0 GHADMP COC(=O)N1CCC([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000788763494 878300058 /nfs/dbraw/zinc/30/00/58/878300058.db2.gz JAEJODKSYHZCKA-XTWGIRIWSA-N 2 1 387.568 3.886 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460648939 878327471 /nfs/dbraw/zinc/32/74/71/878327471.db2.gz NJNBOYJLTODZMK-RTWAWAEBSA-N 2 1 392.632 3.937 20 0 GHADMP O=C(N1CCC[C@H]([C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000852472750 878349438 /nfs/dbraw/zinc/34/94/38/878349438.db2.gz CMSPLXLYVLMYJE-ROUUACIJSA-N 2 1 389.506 3.518 20 0 GHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000788793201 878351769 /nfs/dbraw/zinc/35/17/69/878351769.db2.gz ACSRCGXGYNNTAL-ZSHXYJJOSA-N 2 1 396.531 3.870 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1)CC1CC1 ZINC000537845169 878381987 /nfs/dbraw/zinc/38/19/87/878381987.db2.gz BHOTXBYGYAHXAJ-UHFFFAOYSA-N 2 1 381.568 3.816 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1)CC1CC1 ZINC000537845169 878382008 /nfs/dbraw/zinc/38/20/08/878382008.db2.gz BHOTXBYGYAHXAJ-UHFFFAOYSA-N 2 1 381.568 3.816 20 0 GHADMP CC[N@@H+](CCC1CCN([C@@H](C)c2nnnn2-c2ccccc2)CC1)CC1CC1 ZINC000537849752 878389859 /nfs/dbraw/zinc/38/98/59/878389859.db2.gz PSORZSBGPDLLLS-SFHVURJKSA-N 2 1 382.556 3.557 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1)CC1CC1 ZINC000537849752 878389878 /nfs/dbraw/zinc/38/98/78/878389878.db2.gz PSORZSBGPDLLLS-SFHVURJKSA-N 2 1 382.556 3.557 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1)CC1CC1 ZINC000537849752 878389888 /nfs/dbraw/zinc/38/98/88/878389888.db2.gz PSORZSBGPDLLLS-SFHVURJKSA-N 2 1 382.556 3.557 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000616076917 878475877 /nfs/dbraw/zinc/47/58/77/878475877.db2.gz IHSXWQSTPTYMGX-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1cccc(C(F)(F)F)c1 ZINC000530826733 878598889 /nfs/dbraw/zinc/59/88/89/878598889.db2.gz GVMHJQSXHVEFHC-APWZRJJASA-N 2 1 399.501 3.889 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000537990370 878635137 /nfs/dbraw/zinc/63/51/37/878635137.db2.gz KPNBUQKXAKVOPA-JPYJTQIMSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000537990370 878635142 /nfs/dbraw/zinc/63/51/42/878635142.db2.gz KPNBUQKXAKVOPA-JPYJTQIMSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000530902200 878716745 /nfs/dbraw/zinc/71/67/45/878716745.db2.gz NFGDEXQIEBBLRT-LJQANCHMSA-N 2 1 377.532 3.518 20 0 GHADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000530902200 878716757 /nfs/dbraw/zinc/71/67/57/878716757.db2.gz NFGDEXQIEBBLRT-LJQANCHMSA-N 2 1 377.532 3.518 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000245901482 878719996 /nfs/dbraw/zinc/71/99/96/878719996.db2.gz DSBURAMXMRMAES-XZOQPEGZSA-N 2 1 398.595 3.688 20 0 GHADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1c1cccc(C(F)(F)F)c1 ZINC000538018355 878721828 /nfs/dbraw/zinc/72/18/28/878721828.db2.gz RKFSACYRFRHGSC-KRWDZBQOSA-N 2 1 395.469 3.807 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000177849208 878885287 /nfs/dbraw/zinc/88/52/87/878885287.db2.gz AETYVICAOVOAEV-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000177849208 878885298 /nfs/dbraw/zinc/88/52/98/878885298.db2.gz AETYVICAOVOAEV-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000177849208 878885306 /nfs/dbraw/zinc/88/53/06/878885306.db2.gz AETYVICAOVOAEV-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CCC(CC)(CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000246169208 879097486 /nfs/dbraw/zinc/09/74/86/879097486.db2.gz FRYWRJVBCLMCAA-SVFBPWRDSA-N 2 1 388.600 3.878 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000643081357 912451630 /nfs/dbraw/zinc/45/16/30/912451630.db2.gz PRJWODNJOXRZNP-JXFKEZNVSA-N 2 1 393.503 3.807 20 0 GHADMP C[C@@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(C)(C)C[NH+](C)C ZINC000246385986 879494367 /nfs/dbraw/zinc/49/43/67/879494367.db2.gz AIOSXJXMIDXWCN-RBUKOAKNSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246404869 879521617 /nfs/dbraw/zinc/52/16/17/879521617.db2.gz UHSUEHJGBRWMMQ-SBHAEUEKSA-N 2 1 388.600 3.657 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(-c2noc(-c3ccc4c(c3)[C@@H](C[NH3+])CCC4)n2)cn1 ZINC000854139863 879576622 /nfs/dbraw/zinc/57/66/22/879576622.db2.gz OXWMZKPBYNEIHZ-QGZVFWFLSA-N 2 1 386.459 3.671 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000246494125 879619089 /nfs/dbraw/zinc/61/90/89/879619089.db2.gz SDUUGXMAGKNLFV-HSALFYBXSA-N 2 1 378.944 3.911 20 0 GHADMP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000854222769 879640817 /nfs/dbraw/zinc/64/08/17/879640817.db2.gz MBDKCAVSCJYAEB-YMPZKCBVSA-N 2 1 393.531 3.775 20 0 GHADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000493890089 879701398 /nfs/dbraw/zinc/70/13/98/879701398.db2.gz ANBBDXVPSWVJPX-HUVFLSCGSA-N 2 1 381.564 3.731 20 0 GHADMP C[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873900 879836073 /nfs/dbraw/zinc/83/60/73/879836073.db2.gz LOVYLIUOFWCJSE-IYOUNJFTSA-N 2 1 384.351 3.587 20 0 GHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000246904212 879846333 /nfs/dbraw/zinc/84/63/33/879846333.db2.gz GATOEFJLTIXUAK-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000246904212 879846351 /nfs/dbraw/zinc/84/63/51/879846351.db2.gz GATOEFJLTIXUAK-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000140014261 879858706 /nfs/dbraw/zinc/85/87/06/879858706.db2.gz KFEMFOXWVSTKNY-PKTZIBPZSA-N 2 1 391.559 3.698 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000140014261 879858713 /nfs/dbraw/zinc/85/87/13/879858713.db2.gz KFEMFOXWVSTKNY-PKTZIBPZSA-N 2 1 391.559 3.698 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000140014261 879858724 /nfs/dbraw/zinc/85/87/24/879858724.db2.gz KFEMFOXWVSTKNY-PKTZIBPZSA-N 2 1 391.559 3.698 20 0 GHADMP O=C(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000246955204 879860733 /nfs/dbraw/zinc/86/07/33/879860733.db2.gz USZSMTZYMINMOM-WWPVKYPJSA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000246955204 879860785 /nfs/dbraw/zinc/86/07/85/879860785.db2.gz USZSMTZYMINMOM-WWPVKYPJSA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000246955204 879860803 /nfs/dbraw/zinc/86/08/03/879860803.db2.gz USZSMTZYMINMOM-WWPVKYPJSA-N 2 1 381.564 3.519 20 0 GHADMP CCc1ccccc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184745924 879869758 /nfs/dbraw/zinc/86/97/58/879869758.db2.gz DFOPJQCZXLQLRQ-OALUTQOASA-N 2 1 379.548 3.934 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000531459963 879891655 /nfs/dbraw/zinc/89/16/55/879891655.db2.gz CSYRSPLHVQWKOS-QFIPXVFZSA-N 2 1 398.595 3.767 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000247043546 879899310 /nfs/dbraw/zinc/89/93/10/879899310.db2.gz NUKDCCUMTFYUGD-HMXCVIKNSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000247043546 879899328 /nfs/dbraw/zinc/89/93/28/879899328.db2.gz NUKDCCUMTFYUGD-HMXCVIKNSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000247043546 879899347 /nfs/dbraw/zinc/89/93/47/879899347.db2.gz NUKDCCUMTFYUGD-HMXCVIKNSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000247043546 879899364 /nfs/dbraw/zinc/89/93/64/879899364.db2.gz NUKDCCUMTFYUGD-HMXCVIKNSA-N 2 1 386.511 3.550 20 0 GHADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247095743 879917111 /nfs/dbraw/zinc/91/71/11/879917111.db2.gz OCHUDQXFZJTZOQ-HZPDHXFCSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247095743 879917117 /nfs/dbraw/zinc/91/71/17/879917117.db2.gz OCHUDQXFZJTZOQ-HZPDHXFCSA-N 2 1 387.351 3.683 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000247280487 879961411 /nfs/dbraw/zinc/96/14/11/879961411.db2.gz YOMXRXVJMGJEFR-ICSRJNTNSA-N 2 1 392.385 3.538 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000617507477 880011781 /nfs/dbraw/zinc/01/17/81/880011781.db2.gz YKHVPOFOVOLGII-HNNXBMFYSA-N 2 1 387.490 3.528 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000617507477 880011799 /nfs/dbraw/zinc/01/17/99/880011799.db2.gz YKHVPOFOVOLGII-HNNXBMFYSA-N 2 1 387.490 3.528 20 0 GHADMP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000247673994 880045859 /nfs/dbraw/zinc/04/58/59/880045859.db2.gz YXHUGSHNTRFORI-VAMGGRTRSA-N 2 1 397.567 3.540 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000531677079 880307712 /nfs/dbraw/zinc/30/77/12/880307712.db2.gz DCONADCYVJCJPM-MSOLQXFVSA-N 2 1 379.976 3.931 20 0 GHADMP CNC(=O)c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453077147 880429008 /nfs/dbraw/zinc/42/90/08/880429008.db2.gz WHXASPCAHSHNAU-DNVJHFABSA-N 2 1 377.532 3.579 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453077147 880429016 /nfs/dbraw/zinc/42/90/16/880429016.db2.gz WHXASPCAHSHNAU-DNVJHFABSA-N 2 1 377.532 3.579 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453077147 880429028 /nfs/dbraw/zinc/42/90/28/880429028.db2.gz WHXASPCAHSHNAU-DNVJHFABSA-N 2 1 377.532 3.579 20 0 GHADMP Clc1ccccc1C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCO1 ZINC000453094037 880458064 /nfs/dbraw/zinc/45/80/64/880458064.db2.gz GJUBNTUWNCUOOR-LEWJYISDSA-N 2 1 392.971 3.665 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453116343 880487614 /nfs/dbraw/zinc/48/76/14/880487614.db2.gz GZSJTHOZEPRLTL-WXFUMESZSA-N 2 1 391.559 3.622 20 0 GHADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)cc21 ZINC000453198753 880607402 /nfs/dbraw/zinc/60/74/02/880607402.db2.gz WCOULIUBRXYZPV-QTJGBDASSA-N 2 1 389.543 3.505 20 0 GHADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)cc21 ZINC000453198753 880607409 /nfs/dbraw/zinc/60/74/09/880607409.db2.gz WCOULIUBRXYZPV-QTJGBDASSA-N 2 1 389.543 3.505 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1)C(N)=O ZINC000453273589 880756323 /nfs/dbraw/zinc/75/63/23/880756323.db2.gz FVIMFXXTOPREER-MYGLTJDJSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1)C(N)=O ZINC000453273589 880756332 /nfs/dbraw/zinc/75/63/32/880756332.db2.gz FVIMFXXTOPREER-MYGLTJDJSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1)C(N)=O ZINC000453273589 880756339 /nfs/dbraw/zinc/75/63/39/880756339.db2.gz FVIMFXXTOPREER-MYGLTJDJSA-N 2 1 383.580 3.511 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000531932616 880785266 /nfs/dbraw/zinc/78/52/66/880785266.db2.gz YGZVBGPDVWEEOM-YJBOKZPZSA-N 2 1 395.519 3.989 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000531932981 880786494 /nfs/dbraw/zinc/78/64/94/880786494.db2.gz GACJPCSORQBHPU-ROUUACIJSA-N 2 1 379.976 3.931 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000531936834 880790481 /nfs/dbraw/zinc/79/04/81/880790481.db2.gz CWTZTQJRERSBAK-PMPSAXMXSA-N 2 1 381.948 3.776 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000531936834 880790487 /nfs/dbraw/zinc/79/04/87/880790487.db2.gz CWTZTQJRERSBAK-PMPSAXMXSA-N 2 1 381.948 3.776 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000531951009 880811196 /nfs/dbraw/zinc/81/11/96/880811196.db2.gz XVVVDCRYMCYJMO-TXPKVOOTSA-N 2 1 380.960 3.715 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC2)C[C@H](C)O1 ZINC000186310050 880850067 /nfs/dbraw/zinc/85/00/67/880850067.db2.gz MUKXTLSEKULJQH-HDICACEKSA-N 2 1 388.552 3.653 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC(=O)Nc3cccc(F)c3)CCCC2)CC1 ZINC000531975128 880854620 /nfs/dbraw/zinc/85/46/20/880854620.db2.gz IQELJXVAAVOBFL-KRWDZBQOSA-N 2 1 391.531 3.556 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186503490 880902648 /nfs/dbraw/zinc/90/26/48/880902648.db2.gz SPPOWGWEGQIVET-LZQZEXGQSA-N 2 1 383.374 3.859 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186503490 880902654 /nfs/dbraw/zinc/90/26/54/880902654.db2.gz SPPOWGWEGQIVET-LZQZEXGQSA-N 2 1 383.374 3.859 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000792123210 880954097 /nfs/dbraw/zinc/95/40/97/880954097.db2.gz GWJYLYWVBAJPJM-DDRJZQQSSA-N 2 1 398.595 3.605 20 0 GHADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000453467759 880974438 /nfs/dbraw/zinc/97/44/38/880974438.db2.gz ZDERCSKSQNOOGE-ZKGSSEMHSA-N 2 1 378.560 3.992 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)C(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000187010360 881048694 /nfs/dbraw/zinc/04/86/94/881048694.db2.gz UHTDVSGSWJCWKL-DXIQSLLYSA-N 2 1 397.563 3.893 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000132327760 881088540 /nfs/dbraw/zinc/08/85/40/881088540.db2.gz CCRPCKUWKGKWLI-FQEVSTJZSA-N 3 1 381.564 3.942 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000499139747 881258239 /nfs/dbraw/zinc/25/82/39/881258239.db2.gz DDZXSWIBGGUIOM-JBXUNAHCSA-N 2 1 399.623 3.909 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)[C@H](CCO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000537624709 881277501 /nfs/dbraw/zinc/27/75/01/881277501.db2.gz RWGGHPQMKDQSFV-HSZRJFAPSA-N 2 1 381.564 3.773 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000135226553 883260228 /nfs/dbraw/zinc/26/02/28/883260228.db2.gz BBTTUSSZRDMGFG-UHFFFAOYSA-N 2 1 378.467 3.959 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000135226553 883260246 /nfs/dbraw/zinc/26/02/46/883260246.db2.gz BBTTUSSZRDMGFG-UHFFFAOYSA-N 2 1 378.467 3.959 20 0 GHADMP CC(=O)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183687157 883280884 /nfs/dbraw/zinc/28/08/84/883280884.db2.gz AQUWRSRJGCEIGX-HNNXBMFYSA-N 2 1 376.460 3.673 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@@H]1c1ccccc1 ZINC000551197037 883470889 /nfs/dbraw/zinc/47/08/89/883470889.db2.gz MNDAWZVUSLHYTG-WTGUMLROSA-N 2 1 382.508 3.592 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@@H]1c1ccccc1 ZINC000551197037 883470890 /nfs/dbraw/zinc/47/08/90/883470890.db2.gz MNDAWZVUSLHYTG-WTGUMLROSA-N 2 1 382.508 3.592 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000565494028 883493778 /nfs/dbraw/zinc/49/37/78/883493778.db2.gz XYUOFDSDXAJPOH-KRWDZBQOSA-N 2 1 376.504 3.776 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000565494029 883494093 /nfs/dbraw/zinc/49/40/93/883494093.db2.gz XYUOFDSDXAJPOH-QGZVFWFLSA-N 2 1 376.504 3.776 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000476986064 883542055 /nfs/dbraw/zinc/54/20/55/883542055.db2.gz QVOFUMWYGFRLGX-NQIIRXRSSA-N 2 1 378.532 3.542 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000859296778 883726520 /nfs/dbraw/zinc/72/65/20/883726520.db2.gz PIUSOUGWHDEIKF-VXKWHMMOSA-N 2 1 394.676 3.700 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)[NH+](C)C)cc1 ZINC000465433748 883744211 /nfs/dbraw/zinc/74/42/11/883744211.db2.gz OCJSCYBTPOKWSP-BHIFYINESA-N 2 1 386.584 3.508 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001183728699 912760433 /nfs/dbraw/zinc/76/04/33/912760433.db2.gz TWYDBIOLJZGQDF-MISYRCLQSA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001183728699 912760440 /nfs/dbraw/zinc/76/04/40/912760440.db2.gz TWYDBIOLJZGQDF-MISYRCLQSA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001183728702 912760729 /nfs/dbraw/zinc/76/07/29/912760729.db2.gz TWYDBIOLJZGQDF-SXLOBPIMSA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001183728702 912760740 /nfs/dbraw/zinc/76/07/40/912760740.db2.gz TWYDBIOLJZGQDF-SXLOBPIMSA-N 2 1 381.486 3.971 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1F ZINC000556234727 884187757 /nfs/dbraw/zinc/18/77/57/884187757.db2.gz YDHCAMKPVBGGEA-QGZVFWFLSA-N 2 1 387.499 3.561 20 0 GHADMP Cc1ccc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000494986719 884320287 /nfs/dbraw/zinc/32/02/87/884320287.db2.gz GCXWLERCJIJEMS-HSZRJFAPSA-N 2 1 398.572 3.648 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000806156756 884412708 /nfs/dbraw/zinc/41/27/08/884412708.db2.gz JMOGXHKTHCLCOR-MJGOQNOKSA-N 2 1 385.474 3.986 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)cc1 ZINC001130549782 884437086 /nfs/dbraw/zinc/43/70/86/884437086.db2.gz HXDKBXLCEBBHSR-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)cc1 ZINC001130549782 884437106 /nfs/dbraw/zinc/43/71/06/884437106.db2.gz HXDKBXLCEBBHSR-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2Cc2ccccc2)cc1 ZINC001130549782 884437118 /nfs/dbraw/zinc/43/71/18/884437118.db2.gz HXDKBXLCEBBHSR-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)cc1 ZINC001130549782 884437132 /nfs/dbraw/zinc/43/71/32/884437132.db2.gz HXDKBXLCEBBHSR-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)cc1 ZINC001130549782 884437142 /nfs/dbraw/zinc/43/71/42/884437142.db2.gz HXDKBXLCEBBHSR-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000898100129 884606278 /nfs/dbraw/zinc/60/62/78/884606278.db2.gz JFWLXORMIJGBTH-XUTJKUGGSA-N 2 1 387.568 3.586 20 0 GHADMP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CO2 ZINC000130392094 884623591 /nfs/dbraw/zinc/62/35/91/884623591.db2.gz YJFGIXJCHDNRJE-CQSZACIVSA-N 2 1 397.346 3.860 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000460349092 884930994 /nfs/dbraw/zinc/93/09/94/884930994.db2.gz QRNCCFWRBDEDAI-ROUUACIJSA-N 2 1 399.966 3.702 20 0 GHADMP Cc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000537533184 885042042 /nfs/dbraw/zinc/04/20/42/885042042.db2.gz GFXJCDZNJIRNFR-UHFFFAOYSA-N 2 1 384.568 3.706 20 0 GHADMP Cc1cc(F)c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1F ZINC001211915400 885067517 /nfs/dbraw/zinc/06/75/17/885067517.db2.gz IWKVRCJFZDASOB-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1F ZINC001211915400 885067527 /nfs/dbraw/zinc/06/75/27/885067527.db2.gz IWKVRCJFZDASOB-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000106485647 885071426 /nfs/dbraw/zinc/07/14/26/885071426.db2.gz RFPMSSDLSOBASB-HNNXBMFYSA-N 2 1 381.442 3.691 20 0 GHADMP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691526 885325098 /nfs/dbraw/zinc/32/50/98/885325098.db2.gz DIEARYKCJIFNCJ-ACIOBRDBSA-N 2 1 398.595 3.557 20 0 GHADMP Clc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)OCC2CC2)cc1 ZINC000655766557 885379466 /nfs/dbraw/zinc/37/94/66/885379466.db2.gz IMCXWMAHWRCNFL-RTWAWAEBSA-N 2 1 378.944 3.651 20 0 GHADMP C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495375513 885567194 /nfs/dbraw/zinc/56/71/94/885567194.db2.gz YDUFTNLOSPEWFP-FPOVZHCZSA-N 2 1 385.596 3.914 20 0 GHADMP c1cc2cccc(-c3noc([C@H]4C[N@@H+](Cc5ccccc5)CC45C[NH2+]C5)n3)c2o1 ZINC001211917299 885576133 /nfs/dbraw/zinc/57/61/33/885576133.db2.gz XVQMRWVOSNKZAW-LJQANCHMSA-N 2 1 386.455 3.672 20 0 GHADMP c1cc2cccc(-c3noc([C@H]4C[N@H+](Cc5ccccc5)CC45C[NH2+]C5)n3)c2o1 ZINC001211917299 885576140 /nfs/dbraw/zinc/57/61/40/885576140.db2.gz XVQMRWVOSNKZAW-LJQANCHMSA-N 2 1 386.455 3.672 20 0 GHADMP C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000556608822 885665255 /nfs/dbraw/zinc/66/52/55/885665255.db2.gz KARRPLMRCYYIHW-IBGZPJMESA-N 2 1 378.520 3.723 20 0 GHADMP COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000556608911 885665636 /nfs/dbraw/zinc/66/56/36/885665636.db2.gz LJNXWMBGMAGBKM-YKSBVNFPSA-N 2 1 394.559 3.704 20 0 GHADMP Brc1ccccc1C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655770978 885762047 /nfs/dbraw/zinc/76/20/47/885762047.db2.gz WCGFBEFCZUFYLD-QGZVFWFLSA-N 2 1 393.369 3.714 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(N3CCCC3)cc2C)CC1 ZINC000057847339 885772676 /nfs/dbraw/zinc/77/26/76/885772676.db2.gz UVRDOUDDIHNOMQ-UHFFFAOYSA-N 2 1 386.584 3.588 20 0 GHADMP COc1cccc(N2C[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2=O)c1 ZINC000532488524 885823397 /nfs/dbraw/zinc/82/33/97/885823397.db2.gz HBPQBDRBZBKGTI-VQIMIIECSA-N 2 1 390.487 3.645 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000556715488 885966336 /nfs/dbraw/zinc/96/63/36/885966336.db2.gz PIZHGHNCBUWEEJ-NRFANRHFSA-N 2 1 385.939 3.969 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC001275287472 913003530 /nfs/dbraw/zinc/00/35/30/913003530.db2.gz PPYWFDKDMYYVDJ-FQEVSTJZSA-N 2 1 398.378 3.760 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000498923239 886111923 /nfs/dbraw/zinc/11/19/23/886111923.db2.gz IOUTWJUCWHBRTP-NRFANRHFSA-N 2 1 383.536 3.792 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000498923239 886111929 /nfs/dbraw/zinc/11/19/29/886111929.db2.gz IOUTWJUCWHBRTP-NRFANRHFSA-N 2 1 383.536 3.792 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000498923239 886111933 /nfs/dbraw/zinc/11/19/33/886111933.db2.gz IOUTWJUCWHBRTP-NRFANRHFSA-N 2 1 383.536 3.792 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000498923239 886111936 /nfs/dbraw/zinc/11/19/36/886111936.db2.gz IOUTWJUCWHBRTP-NRFANRHFSA-N 2 1 383.536 3.792 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C1CCC(C)CC1)CC2 ZINC001168215424 886147986 /nfs/dbraw/zinc/14/79/86/886147986.db2.gz QEEYUZKCZKBZSD-VTLFHKLASA-N 2 1 378.601 3.795 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000919719242 886215660 /nfs/dbraw/zinc/21/56/60/886215660.db2.gz QPGLBWZYPUVYMC-UHFFFAOYSA-N 2 1 396.347 3.949 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000056524540 886308538 /nfs/dbraw/zinc/30/85/38/886308538.db2.gz RMVWEQNOOKQDOL-UHFFFAOYSA-N 2 1 389.874 3.544 20 0 GHADMP COc1cccc(C(F)(F)F)c1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168491217 886320923 /nfs/dbraw/zinc/32/09/23/886320923.db2.gz UHGNHANUGJPPQG-UHFFFAOYSA-N 2 1 376.382 3.661 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1-n1ccnn1 ZINC000556871561 886426427 /nfs/dbraw/zinc/42/64/27/886426427.db2.gz UNMIGSCWWONODV-ROUUACIJSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1-n1ccnn1 ZINC000556871561 886426432 /nfs/dbraw/zinc/42/64/32/886426432.db2.gz UNMIGSCWWONODV-ROUUACIJSA-N 2 1 381.549 3.892 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000118978964 886474007 /nfs/dbraw/zinc/47/40/07/886474007.db2.gz LQKHHOINFIETRD-OAQYLSRUSA-N 2 1 387.568 3.683 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)c2)n1 ZINC000556892295 886521997 /nfs/dbraw/zinc/52/19/97/886521997.db2.gz JLKOYZIJWVONLF-ZHALLVOQSA-N 2 1 385.533 3.559 20 0 GHADMP Brc1cccc(C2CC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000762623024 886557538 /nfs/dbraw/zinc/55/75/38/886557538.db2.gz HQXIMVBEQJNAIE-GQOXECLESA-N 2 1 393.369 3.928 20 0 GHADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193533874 886607986 /nfs/dbraw/zinc/60/79/86/886607986.db2.gz OOWCRUMYFUQPLS-GOSISDBHSA-N 2 1 383.511 3.731 20 0 GHADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193533874 886608008 /nfs/dbraw/zinc/60/80/08/886608008.db2.gz OOWCRUMYFUQPLS-GOSISDBHSA-N 2 1 383.511 3.731 20 0 GHADMP CCN(CC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CC1 ZINC000132116574 886688733 /nfs/dbraw/zinc/68/87/33/886688733.db2.gz IUQRFGYWWWZUHR-UHFFFAOYSA-N 2 1 388.515 3.699 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc4ccccc4s3)c2)C1 ZINC000132277525 886771342 /nfs/dbraw/zinc/77/13/42/886771342.db2.gz RMJZSGQPTCWXLR-HXUWFJFHSA-N 2 1 393.556 3.888 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000237124801 886912784 /nfs/dbraw/zinc/91/27/84/886912784.db2.gz JWYZZMUUPDHKIC-UHFFFAOYSA-N 2 1 376.447 3.958 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCCC2CC[NH+](CC)CC2)CC1)CC1CC1 ZINC000536583971 887300143 /nfs/dbraw/zinc/30/01/43/887300143.db2.gz FNSVNBUTAXJUCA-UHFFFAOYSA-N 2 1 392.632 3.652 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ncc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629354 887630104 /nfs/dbraw/zinc/63/01/04/887630104.db2.gz NFQAHCDQGGAPTJ-WMZOPIPTSA-N 2 1 387.549 3.579 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)Cc3cccc(C)c3C)cc2)CC1 ZINC000794642176 887671902 /nfs/dbraw/zinc/67/19/02/887671902.db2.gz QKTIZNQZIOYUMU-UHFFFAOYSA-N 2 1 394.563 3.516 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)Cc3cccc(C)c3C)cc2)CC1 ZINC000794642176 887671923 /nfs/dbraw/zinc/67/19/23/887671923.db2.gz QKTIZNQZIOYUMU-UHFFFAOYSA-N 2 1 394.563 3.516 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000747580440 887993152 /nfs/dbraw/zinc/99/31/52/887993152.db2.gz JHMZDYSSWQMRMQ-URXFXBBRSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810085264 888140870 /nfs/dbraw/zinc/14/08/70/888140870.db2.gz PGCUOVAPVAULJA-WOJBJXKFSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000810378626 888471008 /nfs/dbraw/zinc/47/10/08/888471008.db2.gz CDIZCWRSTVJNLD-CRHVVPOVSA-N 2 1 387.543 3.511 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000810378626 888471015 /nfs/dbraw/zinc/47/10/15/888471015.db2.gz CDIZCWRSTVJNLD-CRHVVPOVSA-N 2 1 387.543 3.511 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000810378626 888471023 /nfs/dbraw/zinc/47/10/23/888471023.db2.gz CDIZCWRSTVJNLD-CRHVVPOVSA-N 2 1 387.543 3.511 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000194075750 888554474 /nfs/dbraw/zinc/55/44/74/888554474.db2.gz ATVGYHHQOUQKNK-UHFFFAOYSA-N 2 1 394.563 3.765 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810568240 888628569 /nfs/dbraw/zinc/62/85/69/888628569.db2.gz XFSNXUFXBZMRHM-GCJKJVERSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810568240 888628575 /nfs/dbraw/zinc/62/85/75/888628575.db2.gz XFSNXUFXBZMRHM-GCJKJVERSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810568240 888628578 /nfs/dbraw/zinc/62/85/78/888628578.db2.gz XFSNXUFXBZMRHM-GCJKJVERSA-N 2 1 381.580 3.702 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000194945440 888633735 /nfs/dbraw/zinc/63/37/35/888633735.db2.gz SZAIGUFORYZLRQ-QGZVFWFLSA-N 2 1 392.613 3.522 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OC[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000810586983 888664123 /nfs/dbraw/zinc/66/41/23/888664123.db2.gz KKXCMHHROIUUFC-KNQAVFIVSA-N 2 1 376.516 3.654 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)OC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000810586983 888664131 /nfs/dbraw/zinc/66/41/31/888664131.db2.gz KKXCMHHROIUUFC-KNQAVFIVSA-N 2 1 376.516 3.654 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000810586983 888664141 /nfs/dbraw/zinc/66/41/41/888664141.db2.gz KKXCMHHROIUUFC-KNQAVFIVSA-N 2 1 376.516 3.654 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000644533820 913346642 /nfs/dbraw/zinc/34/66/42/913346642.db2.gz JDVOPTCNHMYIHR-JOCHJYFZSA-N 2 1 393.531 3.547 20 0 GHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000644554426 913361913 /nfs/dbraw/zinc/36/19/13/913361913.db2.gz PMOVOQDREBYVEO-WKWVNEEDSA-N 2 1 382.470 3.723 20 0 GHADMP CCC[N@H+](Cc1cn2cc(C)ccc2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533059577 889650462 /nfs/dbraw/zinc/65/04/62/889650462.db2.gz PKNKVEBTWJCTLJ-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP CCC[N@@H+](Cc1cn2cc(C)ccc2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533059577 889650469 /nfs/dbraw/zinc/65/04/69/889650469.db2.gz PKNKVEBTWJCTLJ-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1C ZINC000125016510 889848097 /nfs/dbraw/zinc/84/80/97/889848097.db2.gz RXULBKKPWJCCTQ-HXUWFJFHSA-N 2 1 395.547 3.815 20 0 GHADMP Cc1ccc([C@H](CNC2CC[NH+](Cc3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000125042256 889856298 /nfs/dbraw/zinc/85/62/98/889856298.db2.gz YTVDCANPLCKXKU-DEOSSOPVSA-N 2 1 378.564 3.781 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000644635995 913416372 /nfs/dbraw/zinc/41/63/72/913416372.db2.gz XJSVEYQWQFCSCP-QQKQFIJSSA-N 2 1 394.559 3.553 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000246103514 890379496 /nfs/dbraw/zinc/37/94/96/890379496.db2.gz HHMIYEYNNCTYHW-NLWGTHIKSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000246103514 890379506 /nfs/dbraw/zinc/37/95/06/890379506.db2.gz HHMIYEYNNCTYHW-NLWGTHIKSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000246103514 890379519 /nfs/dbraw/zinc/37/95/19/890379519.db2.gz HHMIYEYNNCTYHW-NLWGTHIKSA-N 2 1 392.613 3.504 20 0 GHADMP C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000533431953 890550338 /nfs/dbraw/zinc/55/03/38/890550338.db2.gz RYBJFUXCLPWIJG-FQEVSTJZSA-N 2 1 379.548 3.556 20 0 GHADMP C[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000533431953 890550349 /nfs/dbraw/zinc/55/03/49/890550349.db2.gz RYBJFUXCLPWIJG-FQEVSTJZSA-N 2 1 379.548 3.556 20 0 GHADMP C[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000533431953 890550364 /nfs/dbraw/zinc/55/03/64/890550364.db2.gz RYBJFUXCLPWIJG-FQEVSTJZSA-N 2 1 379.548 3.556 20 0 GHADMP [NH3+][C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000870884348 890560773 /nfs/dbraw/zinc/56/07/73/890560773.db2.gz VVGSRVDQLBGERK-GASCZTMLSA-N 2 1 384.351 3.592 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870912421 890575001 /nfs/dbraw/zinc/57/50/01/890575001.db2.gz HNFKEIVGQZVCSM-SVYNMNNPSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870912421 890575008 /nfs/dbraw/zinc/57/50/08/890575008.db2.gz HNFKEIVGQZVCSM-SVYNMNNPSA-N 2 1 381.923 3.637 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870920953 890576764 /nfs/dbraw/zinc/57/67/64/890576764.db2.gz IKKLRVRUHXVSEJ-MAEOIBBWSA-N 2 1 397.485 3.646 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000126928943 890821681 /nfs/dbraw/zinc/82/16/81/890821681.db2.gz KZTJYJJRYHDPIQ-MOPGFXCFSA-N 2 1 392.613 3.696 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000917069601 890990528 /nfs/dbraw/zinc/99/05/28/890990528.db2.gz UYCXBJCIOWTOEJ-LJQANCHMSA-N 2 1 383.374 3.926 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000871786002 891011223 /nfs/dbraw/zinc/01/12/23/891011223.db2.gz PXDHOZACTUDBEJ-WZYMTQMTSA-N 2 1 392.931 3.655 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@@H](C)O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000871786002 891011240 /nfs/dbraw/zinc/01/12/40/891011240.db2.gz PXDHOZACTUDBEJ-WZYMTQMTSA-N 2 1 392.931 3.655 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690672 891103737 /nfs/dbraw/zinc/10/37/37/891103737.db2.gz UIDCVJMPSPOUKP-DENIHFKCSA-N 2 1 378.507 3.645 20 0 GHADMP [NH3+]C1(Cc2nc(-c3cccc4cnccc43)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872175639 891198914 /nfs/dbraw/zinc/19/89/14/891198914.db2.gz SKZDEMDZYRIUTC-UHFFFAOYSA-N 2 1 399.498 3.821 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000246486362 891274273 /nfs/dbraw/zinc/27/42/73/891274273.db2.gz RGWJYGFINVBPET-DOADOZAASA-N 2 1 392.613 3.503 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000246486362 891274282 /nfs/dbraw/zinc/27/42/82/891274282.db2.gz RGWJYGFINVBPET-DOADOZAASA-N 2 1 392.613 3.503 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000246486362 891274295 /nfs/dbraw/zinc/27/42/95/891274295.db2.gz RGWJYGFINVBPET-DOADOZAASA-N 2 1 392.613 3.503 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(OCc2ccccc2)c1 ZINC000127947175 891330533 /nfs/dbraw/zinc/33/05/33/891330533.db2.gz ZMIZCTZPRCJOQV-UGKGYDQZSA-N 2 1 395.547 3.504 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247079546 891343784 /nfs/dbraw/zinc/34/37/84/891343784.db2.gz OSDPTJXOXCKBGY-BWKNWUBXSA-N 2 1 392.591 3.855 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CCOCC3)cc2)C1 ZINC000247312460 891365459 /nfs/dbraw/zinc/36/54/59/891365459.db2.gz RDVIJDSCQYPKPS-PGRDOPGGSA-N 2 1 385.552 3.500 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)cc2)C1 ZINC000247312460 891365463 /nfs/dbraw/zinc/36/54/63/891365463.db2.gz RDVIJDSCQYPKPS-PGRDOPGGSA-N 2 1 385.552 3.500 20 0 GHADMP Cc1sc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Br ZINC000873103140 891470309 /nfs/dbraw/zinc/47/03/09/891470309.db2.gz XTFATVYHVVSBOC-MRXNPFEDSA-N 2 1 395.366 3.675 20 0 GHADMP Cc1sc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Br ZINC000873134904 891480979 /nfs/dbraw/zinc/48/09/79/891480979.db2.gz FEGKESJQPJJKOE-MRXNPFEDSA-N 2 1 395.366 3.675 20 0 GHADMP CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000873231330 891534293 /nfs/dbraw/zinc/53/42/93/891534293.db2.gz GLLRFKOGGMILOR-APWZRJJASA-N 2 1 378.586 3.636 20 0 GHADMP CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000873231330 891534301 /nfs/dbraw/zinc/53/43/01/891534301.db2.gz GLLRFKOGGMILOR-APWZRJJASA-N 2 1 378.586 3.636 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000237398998 891648760 /nfs/dbraw/zinc/64/87/60/891648760.db2.gz YVGUDVXFHXJDMX-AWEZNQCLSA-N 2 1 389.906 3.963 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC1)C2 ZINC001168270673 891661857 /nfs/dbraw/zinc/66/18/57/891661857.db2.gz CXLKTDHIZFGVDJ-RTWAWAEBSA-N 2 1 396.531 3.511 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000497462923 891665315 /nfs/dbraw/zinc/66/53/15/891665315.db2.gz DOUVMZVWXOSILD-HXUWFJFHSA-N 2 1 391.987 3.933 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4COc5ccccc5O4)C3)CC2)cc1 ZINC000645007269 913604299 /nfs/dbraw/zinc/60/42/99/913604299.db2.gz WPXMHDLSMCEJMJ-OAQYLSRUSA-N 2 1 378.516 3.815 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2cccc(Br)c21 ZINC000128515963 892053693 /nfs/dbraw/zinc/05/36/93/892053693.db2.gz YNQOSRSXZVOUND-QAPCUYQASA-N 2 1 380.374 3.615 20 0 GHADMP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC000261645463 892056578 /nfs/dbraw/zinc/05/65/78/892056578.db2.gz FYYIGRRRMYVXIB-UHFFFAOYSA-N 2 1 378.520 3.997 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262654540 892109146 /nfs/dbraw/zinc/10/91/46/892109146.db2.gz CBGNXKVTNPVFFO-UTKZUKDTSA-N 2 1 385.939 3.710 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262654540 892109163 /nfs/dbraw/zinc/10/91/63/892109163.db2.gz CBGNXKVTNPVFFO-UTKZUKDTSA-N 2 1 385.939 3.710 20 0 GHADMP [NH3+]C1(c2noc([C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)CCCC1 ZINC000261886867 892154835 /nfs/dbraw/zinc/15/48/35/892154835.db2.gz WYSJWNBQHAKWCO-QGZVFWFLSA-N 2 1 380.414 3.504 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000128731437 892335378 /nfs/dbraw/zinc/33/53/78/892335378.db2.gz VAPDYGWEDJROQL-KJXAQDMKSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000128731437 892335395 /nfs/dbraw/zinc/33/53/95/892335395.db2.gz VAPDYGWEDJROQL-KJXAQDMKSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000128731437 892335413 /nfs/dbraw/zinc/33/54/13/892335413.db2.gz VAPDYGWEDJROQL-KJXAQDMKSA-N 2 1 398.595 3.555 20 0 GHADMP O=C1[C@H]2CCCCC[C@H]2N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223347 892415803 /nfs/dbraw/zinc/41/58/03/892415803.db2.gz GTLWCKYTRLMYSU-FCHUYYIVSA-N 2 1 381.564 3.723 20 0 GHADMP C[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700921 892693075 /nfs/dbraw/zinc/69/30/75/892693075.db2.gz VJSDFDUOFZVVDN-KNQAVFIVSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@@H](Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713697 892831260 /nfs/dbraw/zinc/83/12/60/892831260.db2.gz UNBWKNIGAHRKGT-CTNGQTDRSA-N 2 1 394.563 3.899 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)CC1 ZINC000129002099 892842189 /nfs/dbraw/zinc/84/21/89/892842189.db2.gz JYSLNMJPRMXDNC-VRKFHHGPSA-N 2 1 375.601 3.800 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721360 892966517 /nfs/dbraw/zinc/96/65/17/892966517.db2.gz PGDSUKXRHRGTRL-NFBKMPQASA-N 2 1 393.575 3.966 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000498009709 892984921 /nfs/dbraw/zinc/98/49/21/892984921.db2.gz CJISDJTUZWPXOX-ZWKOTPCHSA-N 2 1 385.474 3.563 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723381 892988223 /nfs/dbraw/zinc/98/82/23/892988223.db2.gz WHXHSSVWOCDXFV-XUZZJYLKSA-N 2 1 393.575 3.519 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+]([C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)CC1 ZINC001170767841 893216038 /nfs/dbraw/zinc/21/60/38/893216038.db2.gz RYZIKARBNNWZNP-OWZKRDHZSA-N 2 1 391.600 3.875 20 0 GHADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000562970305 893230545 /nfs/dbraw/zinc/23/05/45/893230545.db2.gz HQLDOPDELAWCNW-UHFFFAOYSA-N 2 1 377.495 3.516 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC[C@H]21 ZINC000876939938 893394429 /nfs/dbraw/zinc/39/44/29/893394429.db2.gz NDHBVVKAXNAMEA-LASHMREHSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC[C@@H]21 ZINC000876939941 893396043 /nfs/dbraw/zinc/39/60/43/893396043.db2.gz NDHBVVKAXNAMEA-WAPOTWQKSA-N 2 1 377.573 3.771 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000129452479 893429371 /nfs/dbraw/zinc/42/93/71/893429371.db2.gz APHRFRJMOVBYTN-UHFFFAOYSA-N 2 1 394.629 3.501 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cs1 ZINC000459405977 893451193 /nfs/dbraw/zinc/45/11/93/893451193.db2.gz FZXMQPPUVWLYEX-UHFFFAOYSA-N 3 1 399.608 3.571 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)C1 ZINC000459422615 893503305 /nfs/dbraw/zinc/50/33/05/893503305.db2.gz FYKLCSAUHAODBX-HSZRJFAPSA-N 2 1 377.532 3.551 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H](CCO)c2ccccc2)CC1 ZINC000536670899 893504389 /nfs/dbraw/zinc/50/43/89/893504389.db2.gz QTNPCUULEGUANO-QHCPKHFHSA-N 2 1 381.564 3.774 20 0 GHADMP Cc1nc2sccn2c1C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000536685977 893532020 /nfs/dbraw/zinc/53/20/20/893532020.db2.gz UOOSFVWBGDOPOS-UHFFFAOYSA-N 2 1 397.592 3.867 20 0 GHADMP Cc1nc2sccn2c1C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000536685977 893532038 /nfs/dbraw/zinc/53/20/38/893532038.db2.gz UOOSFVWBGDOPOS-UHFFFAOYSA-N 2 1 397.592 3.867 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000536696211 893561701 /nfs/dbraw/zinc/56/17/01/893561701.db2.gz OFZCYNLCHOORKF-UHFFFAOYSA-N 2 1 399.373 3.725 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000069591579 893589218 /nfs/dbraw/zinc/58/92/18/893589218.db2.gz BTXNFMDMLVIIPV-JOCHJYFZSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643970 893675643 /nfs/dbraw/zinc/67/56/43/893675643.db2.gz BSHXBKAEEXXWSP-JRGCBEDISA-N 2 1 388.939 3.722 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379643970 893675656 /nfs/dbraw/zinc/67/56/56/893675656.db2.gz BSHXBKAEEXXWSP-JRGCBEDISA-N 2 1 388.939 3.722 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCO1 ZINC000877642780 893738779 /nfs/dbraw/zinc/73/87/79/893738779.db2.gz UETGDFWLWBNXKL-LJQANCHMSA-N 2 1 377.529 3.576 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCO1 ZINC000877642780 893738791 /nfs/dbraw/zinc/73/87/91/893738791.db2.gz UETGDFWLWBNXKL-LJQANCHMSA-N 2 1 377.529 3.576 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459531938 893742837 /nfs/dbraw/zinc/74/28/37/893742837.db2.gz DLBJNVMMPONVRS-HSZRJFAPSA-N 3 1 378.564 3.941 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459531938 893742844 /nfs/dbraw/zinc/74/28/44/893742844.db2.gz DLBJNVMMPONVRS-HSZRJFAPSA-N 3 1 378.564 3.941 20 0 GHADMP COCc1nc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459533473 893749342 /nfs/dbraw/zinc/74/93/42/893749342.db2.gz YCAACVVOMYVFOG-NRFANRHFSA-N 2 1 398.551 3.873 20 0 GHADMP COCc1nc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459533473 893749358 /nfs/dbraw/zinc/74/93/58/893749358.db2.gz YCAACVVOMYVFOG-NRFANRHFSA-N 2 1 398.551 3.873 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000536828156 893858977 /nfs/dbraw/zinc/85/89/77/893858977.db2.gz QCOJQTRQDQNOMU-SVFBPWRDSA-N 2 1 390.535 3.614 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1sccc1Br ZINC000288620815 913821387 /nfs/dbraw/zinc/82/13/87/913821387.db2.gz RPGLOYFNTVZJIY-UHFFFAOYSA-N 2 1 384.343 3.526 20 0 GHADMP CC(C)n1ncc2cc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(Cl)nc21 ZINC000126818053 893918819 /nfs/dbraw/zinc/91/88/19/893918819.db2.gz NSPKAGMLFVUOIH-IYBDPMFKSA-N 2 1 393.963 3.645 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536877262 893996253 /nfs/dbraw/zinc/99/62/53/893996253.db2.gz QADGBPMNBPAZNY-UTKZUKDTSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536877262 893996258 /nfs/dbraw/zinc/99/62/58/893996258.db2.gz QADGBPMNBPAZNY-UTKZUKDTSA-N 2 1 385.939 3.570 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)[C@@H](C)C1 ZINC000536881246 894009847 /nfs/dbraw/zinc/00/98/47/894009847.db2.gz FKMHMPUCDLTWJZ-RXVVDRJESA-N 2 1 375.557 3.508 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000828011758 894259320 /nfs/dbraw/zinc/25/93/20/894259320.db2.gz UTIYCDAKUGJJRR-PMACEKPBSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000828011758 894259336 /nfs/dbraw/zinc/25/93/36/894259336.db2.gz UTIYCDAKUGJJRR-PMACEKPBSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000828011758 894259350 /nfs/dbraw/zinc/25/93/50/894259350.db2.gz UTIYCDAKUGJJRR-PMACEKPBSA-N 2 1 379.589 3.830 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574989 894398956 /nfs/dbraw/zinc/39/89/56/894398956.db2.gz YQPLPSZAEJTZMG-WOJBJXKFSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574989 894398974 /nfs/dbraw/zinc/39/89/74/894398974.db2.gz YQPLPSZAEJTZMG-WOJBJXKFSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574989 894398986 /nfs/dbraw/zinc/39/89/86/894398986.db2.gz YQPLPSZAEJTZMG-WOJBJXKFSA-N 2 1 392.609 3.786 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000816451146 894840570 /nfs/dbraw/zinc/84/05/70/894840570.db2.gz IDQBBCXAHKYXDR-SFGWALBWSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000816451146 894840597 /nfs/dbraw/zinc/84/05/97/894840597.db2.gz IDQBBCXAHKYXDR-SFGWALBWSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000816451146 894840608 /nfs/dbraw/zinc/84/06/08/894840608.db2.gz IDQBBCXAHKYXDR-SFGWALBWSA-N 2 1 376.516 3.653 20 0 GHADMP Cc1ccc2[nH]c(C[NH+]3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000564321558 894861895 /nfs/dbraw/zinc/86/18/95/894861895.db2.gz XNYAWEVYMAGUJP-OALUTQOASA-N 2 1 399.579 3.875 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)c(C(C)C)cc1Cl ZINC000564871901 895291239 /nfs/dbraw/zinc/29/12/39/895291239.db2.gz GKGUXRSNDVWTTO-WMZOPIPTSA-N 2 1 380.960 3.752 20 0 GHADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000564939498 895315208 /nfs/dbraw/zinc/31/52/08/895315208.db2.gz CEVBJLGARRVELL-ICSRJNTNSA-N 2 1 398.378 3.982 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000564959928 895327246 /nfs/dbraw/zinc/32/72/46/895327246.db2.gz QPQRPMWOAAKLNT-IBGZPJMESA-N 2 1 397.950 3.857 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000564959928 895327262 /nfs/dbraw/zinc/32/72/62/895327262.db2.gz QPQRPMWOAAKLNT-IBGZPJMESA-N 2 1 397.950 3.857 20 0 GHADMP Brc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000565047438 895368449 /nfs/dbraw/zinc/36/84/49/895368449.db2.gz RPZLGTFTXFGKNO-CABCVRRESA-N 2 1 390.325 3.926 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000565188772 895450331 /nfs/dbraw/zinc/45/03/31/895450331.db2.gz OUCWTTSCSJRQNG-YMPZKCBVSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000565188772 895450342 /nfs/dbraw/zinc/45/03/42/895450342.db2.gz OUCWTTSCSJRQNG-YMPZKCBVSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000565188772 895450352 /nfs/dbraw/zinc/45/03/52/895450352.db2.gz OUCWTTSCSJRQNG-YMPZKCBVSA-N 2 1 383.580 3.622 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000565607142 895756196 /nfs/dbraw/zinc/75/61/96/895756196.db2.gz NSSUHQUYKREKSE-NRFANRHFSA-N 2 1 377.467 3.873 20 0 GHADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000565780505 895872498 /nfs/dbraw/zinc/87/24/98/895872498.db2.gz YQIHTLBIDRDFNS-UXHICEINSA-N 2 1 377.315 3.729 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000566089346 896100280 /nfs/dbraw/zinc/10/02/80/896100280.db2.gz AVNABZNJQUFMHJ-BLLLJJGKSA-N 2 1 386.849 3.714 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000566132588 896130658 /nfs/dbraw/zinc/13/06/58/896130658.db2.gz YRJQJZNQLIRSNM-BUUDZMLXSA-N 2 1 394.559 3.702 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001136143416 896185883 /nfs/dbraw/zinc/18/58/83/896185883.db2.gz LXKZSIKGAIBXHH-HSZRJFAPSA-N 2 1 391.559 3.667 20 0 GHADMP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245033 896196329 /nfs/dbraw/zinc/19/63/29/896196329.db2.gz XXJMJELXAJSMNA-DXIQSLLYSA-N 2 1 381.495 3.827 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000566286765 896217471 /nfs/dbraw/zinc/21/74/71/896217471.db2.gz UCEUSLCVSBYYPN-IFMALSPDSA-N 2 1 397.607 3.955 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000566463520 896326833 /nfs/dbraw/zinc/32/68/33/896326833.db2.gz GAEIQFXQIXHIQR-SQOVAUKPSA-N 2 1 375.601 3.514 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3cc(F)ccc3F)CC2)cs1 ZINC000819049185 896340170 /nfs/dbraw/zinc/34/01/70/896340170.db2.gz HPALBIDHJHKAAM-IBGZPJMESA-N 2 1 395.519 3.519 20 0 GHADMP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000566841457 896623232 /nfs/dbraw/zinc/62/32/32/896623232.db2.gz XGUTTYFMPBHSTL-XZOQPEGZSA-N 2 1 397.538 3.642 20 0 GHADMP Clc1cccc2c1C[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCC4)n3CC1)CC2 ZINC001170927340 896723126 /nfs/dbraw/zinc/72/31/26/896723126.db2.gz CVLIXAZRSWAFMR-SFHVURJKSA-N 2 1 384.955 3.548 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000567486023 897194959 /nfs/dbraw/zinc/19/49/59/897194959.db2.gz XXFQAMSHTXPJIB-OAQYLSRUSA-N 2 1 389.971 3.810 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000567563832 897253799 /nfs/dbraw/zinc/25/37/99/897253799.db2.gz LTESERCHKGUBRV-XZOQPEGZSA-N 2 1 383.580 3.622 20 0 GHADMP COCc1c(C)cc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C ZINC000883085105 897269760 /nfs/dbraw/zinc/26/97/60/897269760.db2.gz JHIDJPSNOBLBCI-QFIPXVFZSA-N 2 1 382.548 3.615 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567586250 897273054 /nfs/dbraw/zinc/27/30/54/897273054.db2.gz NEXFPYOQCWAZTO-XMMPIXPASA-N 2 1 391.559 3.537 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000567870687 897464149 /nfs/dbraw/zinc/46/41/49/897464149.db2.gz JDEWHKHNIMHUTO-IAGOWNOFSA-N 2 1 386.458 3.848 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001136397981 897641025 /nfs/dbraw/zinc/64/10/25/897641025.db2.gz UIGXYPTZECMBNQ-LJQANCHMSA-N 2 1 389.584 3.648 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[NH2+]CCC23CCC3)c1 ZINC000883530448 897662270 /nfs/dbraw/zinc/66/22/70/897662270.db2.gz JINXWWROGJLMPE-UHFFFAOYSA-N 2 1 381.524 3.805 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000568213547 897679324 /nfs/dbraw/zinc/67/93/24/897679324.db2.gz CHCLGKKAFSVFDX-SFHVURJKSA-N 2 1 383.580 3.938 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001136448691 897877886 /nfs/dbraw/zinc/87/78/86/897877886.db2.gz MHKPKMRJLUJHDE-FCHUYYIVSA-N 2 1 383.511 3.518 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001136456549 897934201 /nfs/dbraw/zinc/93/42/01/897934201.db2.gz KHTPIQJDGDEFHW-IBGZPJMESA-N 2 1 375.582 3.603 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000568765377 898087181 /nfs/dbraw/zinc/08/71/81/898087181.db2.gz ZZFMDVZPEKAASL-QHCPKHFHSA-N 2 1 391.559 3.632 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000568959814 898243558 /nfs/dbraw/zinc/24/35/58/898243558.db2.gz LOCLSHOQZLAHGS-RTWAWAEBSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000568959814 898243573 /nfs/dbraw/zinc/24/35/73/898243573.db2.gz LOCLSHOQZLAHGS-RTWAWAEBSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000568959814 898243588 /nfs/dbraw/zinc/24/35/88/898243588.db2.gz LOCLSHOQZLAHGS-RTWAWAEBSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000568959814 898243604 /nfs/dbraw/zinc/24/36/04/898243604.db2.gz LOCLSHOQZLAHGS-RTWAWAEBSA-N 2 1 396.531 3.666 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000646136198 914279685 /nfs/dbraw/zinc/27/96/85/914279685.db2.gz AFSBITBCJLJNIK-XMSQKQJNSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000569683374 898884771 /nfs/dbraw/zinc/88/47/71/898884771.db2.gz RCRAUSBCFIHMHK-GOSISDBHSA-N 2 1 391.519 3.708 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000331711115 899096689 /nfs/dbraw/zinc/09/66/89/899096689.db2.gz KTRFCJIYFJXUCE-PBHICJAKSA-N 2 1 380.330 3.663 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001136755177 899148955 /nfs/dbraw/zinc/14/89/55/899148955.db2.gz OKFNTCKGPWYBOU-KMDXXIMOSA-N 2 1 397.607 3.915 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001136755177 899148958 /nfs/dbraw/zinc/14/89/58/899148958.db2.gz OKFNTCKGPWYBOU-KMDXXIMOSA-N 2 1 397.607 3.915 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001136755177 899148964 /nfs/dbraw/zinc/14/89/64/899148964.db2.gz OKFNTCKGPWYBOU-KMDXXIMOSA-N 2 1 397.607 3.915 20 0 GHADMP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000823949794 899310145 /nfs/dbraw/zinc/31/01/45/899310145.db2.gz UTGYRYVNDBUYBD-XUBOLADHSA-N 2 1 397.563 3.836 20 0 GHADMP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000823949794 899310159 /nfs/dbraw/zinc/31/01/59/899310159.db2.gz UTGYRYVNDBUYBD-XUBOLADHSA-N 2 1 397.563 3.836 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331985773 899319050 /nfs/dbraw/zinc/31/90/50/899319050.db2.gz VZIFYLAPYYDTBS-ZWKOTPCHSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331985773 899319063 /nfs/dbraw/zinc/31/90/63/899319063.db2.gz VZIFYLAPYYDTBS-ZWKOTPCHSA-N 2 1 396.938 3.526 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(F)cccc3NC3CC3)CC2)CC1 ZINC000570654241 899474418 /nfs/dbraw/zinc/47/44/18/899474418.db2.gz XNPIUNQXLVMHPS-UHFFFAOYSA-N 2 1 388.531 3.535 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000884259838 899575985 /nfs/dbraw/zinc/57/59/85/899575985.db2.gz AGAZGISVJNSBOV-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000282909133 899603588 /nfs/dbraw/zinc/60/35/88/899603588.db2.gz GEZXQSIOHPUDMG-JOCHJYFZSA-N 2 1 378.520 3.547 20 0 GHADMP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000570843270 899632513 /nfs/dbraw/zinc/63/25/13/899632513.db2.gz ZPCADTPAUMCDTI-OAQYLSRUSA-N 2 1 381.589 3.893 20 0 GHADMP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000570843270 899632517 /nfs/dbraw/zinc/63/25/17/899632517.db2.gz ZPCADTPAUMCDTI-OAQYLSRUSA-N 2 1 381.589 3.893 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119717008 899671367 /nfs/dbraw/zinc/67/13/67/899671367.db2.gz OEYAEZVXYQOAHO-CYBMUJFWSA-N 2 1 385.430 3.519 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000646275756 914375638 /nfs/dbraw/zinc/37/56/38/914375638.db2.gz YBCBVCFSIAGQNW-YBVXAUJNSA-N 2 1 390.568 3.946 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000646275756 914375650 /nfs/dbraw/zinc/37/56/50/914375650.db2.gz YBCBVCFSIAGQNW-YBVXAUJNSA-N 2 1 390.568 3.946 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)ccc1OC ZINC000646275756 914375661 /nfs/dbraw/zinc/37/56/61/914375661.db2.gz YBCBVCFSIAGQNW-YBVXAUJNSA-N 2 1 390.568 3.946 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)ccc1OC ZINC000646275756 914375676 /nfs/dbraw/zinc/37/56/76/914375676.db2.gz YBCBVCFSIAGQNW-YBVXAUJNSA-N 2 1 390.568 3.946 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000572588959 900227991 /nfs/dbraw/zinc/22/79/91/900227991.db2.gz YNNCUBUXBKXKGS-BJKOFHAPSA-N 2 1 396.575 3.935 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000843847403 900244822 /nfs/dbraw/zinc/24/48/22/900244822.db2.gz XYVODJZCPJNOTP-KRWDZBQOSA-N 2 1 383.540 3.566 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000289962991 914451291 /nfs/dbraw/zinc/45/12/91/914451291.db2.gz QTJPUKYSWSQEOD-FBMGVBCBSA-N 2 1 381.511 3.699 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)C1 ZINC001186313408 914464828 /nfs/dbraw/zinc/46/48/28/914464828.db2.gz RURNQFCWJTZBRV-BJKOFHAPSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)C1 ZINC001186313408 914464838 /nfs/dbraw/zinc/46/48/38/914464838.db2.gz RURNQFCWJTZBRV-BJKOFHAPSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)C1 ZINC001186313408 914464845 /nfs/dbraw/zinc/46/48/45/914464845.db2.gz RURNQFCWJTZBRV-BJKOFHAPSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)C1 ZINC001186313408 914464851 /nfs/dbraw/zinc/46/48/51/914464851.db2.gz RURNQFCWJTZBRV-BJKOFHAPSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)C1 ZINC001186313408 914464859 /nfs/dbraw/zinc/46/48/59/914464859.db2.gz RURNQFCWJTZBRV-BJKOFHAPSA-N 2 1 391.559 3.555 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327377 900699443 /nfs/dbraw/zinc/69/94/43/900699443.db2.gz QSCVTTKRCNWGLC-AZUAARDMSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327377 900699448 /nfs/dbraw/zinc/69/94/48/900699448.db2.gz QSCVTTKRCNWGLC-AZUAARDMSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327377 900699457 /nfs/dbraw/zinc/69/94/57/900699457.db2.gz QSCVTTKRCNWGLC-AZUAARDMSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327377 900699462 /nfs/dbraw/zinc/69/94/62/900699462.db2.gz QSCVTTKRCNWGLC-AZUAARDMSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327381 900699709 /nfs/dbraw/zinc/69/97/09/900699709.db2.gz QSCVTTKRCNWGLC-UYAOXDASSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327381 900699714 /nfs/dbraw/zinc/69/97/14/900699714.db2.gz QSCVTTKRCNWGLC-UYAOXDASSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327381 900699717 /nfs/dbraw/zinc/69/97/17/900699717.db2.gz QSCVTTKRCNWGLC-UYAOXDASSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327381 900699726 /nfs/dbraw/zinc/69/97/26/900699726.db2.gz QSCVTTKRCNWGLC-UYAOXDASSA-N 2 1 399.560 3.836 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000574020638 900743753 /nfs/dbraw/zinc/74/37/53/900743753.db2.gz QPYVPZFLBBUXCP-VQTJNVASSA-N 2 1 395.551 3.908 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399748 900796212 /nfs/dbraw/zinc/79/62/12/900796212.db2.gz GDQNXWATPNHOMJ-PKOBYXMFSA-N 2 1 378.561 3.987 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399748 900796215 /nfs/dbraw/zinc/79/62/15/900796215.db2.gz GDQNXWATPNHOMJ-PKOBYXMFSA-N 2 1 378.561 3.987 20 0 GHADMP COc1c(C)cnc(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1C ZINC000574716258 900977287 /nfs/dbraw/zinc/97/72/87/900977287.db2.gz WFIOXPAHGZBCAH-UYAOXDASSA-N 2 1 396.535 3.511 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001144036299 900992268 /nfs/dbraw/zinc/99/22/68/900992268.db2.gz YREYCYKCDPYMEJ-UHFFFAOYSA-N 2 1 396.579 3.858 20 0 GHADMP C[C@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574795431 901014538 /nfs/dbraw/zinc/01/45/38/901014538.db2.gz JAUCGIJVFJYYSC-LDQXTDLNSA-N 2 1 385.939 3.757 20 0 GHADMP C[C@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574795431 901014547 /nfs/dbraw/zinc/01/45/47/901014547.db2.gz JAUCGIJVFJYYSC-LDQXTDLNSA-N 2 1 385.939 3.757 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000575248811 901181042 /nfs/dbraw/zinc/18/10/42/901181042.db2.gz VIMIEWZMMQMMFS-NHYNNZIHSA-N 2 1 394.559 3.774 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)[nH+]c1C ZINC000886664851 901215792 /nfs/dbraw/zinc/21/57/92/901215792.db2.gz YZHVCVPCOQHOAN-GOSISDBHSA-N 2 1 381.442 3.828 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000886926369 901331210 /nfs/dbraw/zinc/33/12/10/901331210.db2.gz KPMMUXKKQOZYKG-KRWDZBQOSA-N 2 1 394.510 3.817 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000093770694 901565084 /nfs/dbraw/zinc/56/50/84/901565084.db2.gz KJKMXVWBJLWVBG-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000093770694 901565091 /nfs/dbraw/zinc/56/50/91/901565091.db2.gz KJKMXVWBJLWVBG-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000093770694 901565100 /nfs/dbraw/zinc/56/51/00/901565100.db2.gz KJKMXVWBJLWVBG-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000093770694 901565108 /nfs/dbraw/zinc/56/51/08/901565108.db2.gz KJKMXVWBJLWVBG-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001144343798 901841423 /nfs/dbraw/zinc/84/14/23/901841423.db2.gz SPTIGOUDHWYVLO-WOJBJXKFSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001144343798 901841425 /nfs/dbraw/zinc/84/14/25/901841425.db2.gz SPTIGOUDHWYVLO-WOJBJXKFSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001144343798 901841432 /nfs/dbraw/zinc/84/14/32/901841432.db2.gz SPTIGOUDHWYVLO-WOJBJXKFSA-N 2 1 381.520 3.535 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265858 901891088 /nfs/dbraw/zinc/89/10/88/901891088.db2.gz CGJCOBBNEZBXQC-ZBFHGGJFSA-N 2 1 386.483 3.652 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265858 901891108 /nfs/dbraw/zinc/89/11/08/901891108.db2.gz CGJCOBBNEZBXQC-ZBFHGGJFSA-N 2 1 386.483 3.652 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265858 901891115 /nfs/dbraw/zinc/89/11/15/901891115.db2.gz CGJCOBBNEZBXQC-ZBFHGGJFSA-N 2 1 386.483 3.652 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000576605836 902124805 /nfs/dbraw/zinc/12/48/05/902124805.db2.gz YCPWCXDBOBKZAP-DFQSSKMNSA-N 2 1 392.971 3.859 20 0 GHADMP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460166 902230673 /nfs/dbraw/zinc/23/06/73/902230673.db2.gz CPEQHDDLFSVWKK-LEWJYISDSA-N 2 1 389.971 3.781 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000576768284 902246295 /nfs/dbraw/zinc/24/62/95/902246295.db2.gz PLBZZGVOGJKNBU-QZTJIDSGSA-N 2 1 395.551 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000576768284 902246309 /nfs/dbraw/zinc/24/63/09/902246309.db2.gz PLBZZGVOGJKNBU-QZTJIDSGSA-N 2 1 395.551 3.758 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778974678 902391876 /nfs/dbraw/zinc/39/18/76/902391876.db2.gz GFSPLXXXHYNHKM-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000845953412 902527020 /nfs/dbraw/zinc/52/70/20/902527020.db2.gz HUFUAGCYJYFMSF-TXQGORRRSA-N 2 1 379.589 3.922 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC1 ZINC000779002574 902692246 /nfs/dbraw/zinc/69/22/46/902692246.db2.gz HPTWPZPPBGYFDT-LEWJYISDSA-N 2 1 387.568 3.854 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000779019576 902953421 /nfs/dbraw/zinc/95/34/21/902953421.db2.gz PKTBSUSJJPWMQZ-WDYCEAGBSA-N 2 1 388.556 3.692 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000779019576 902953422 /nfs/dbraw/zinc/95/34/22/902953422.db2.gz PKTBSUSJJPWMQZ-WDYCEAGBSA-N 2 1 388.556 3.692 20 0 GHADMP C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000600854631 903008569 /nfs/dbraw/zinc/00/85/69/903008569.db2.gz OPZYTMKJPKZRLO-HBMCJLEFSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000600854631 903008583 /nfs/dbraw/zinc/00/85/83/903008583.db2.gz OPZYTMKJPKZRLO-HBMCJLEFSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000600854631 903008597 /nfs/dbraw/zinc/00/85/97/903008597.db2.gz OPZYTMKJPKZRLO-HBMCJLEFSA-N 2 1 388.600 3.564 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749253 903153118 /nfs/dbraw/zinc/15/31/18/903153118.db2.gz VBSOMYWIEQHTET-DNVJHFABSA-N 2 1 377.532 3.590 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H]3CCC(C)C)CC2)CC1 ZINC000577767136 903167873 /nfs/dbraw/zinc/16/78/73/903167873.db2.gz SYJKZNPFBUNFSI-SIKLNZKXSA-N 2 1 377.617 3.904 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1)c1ccc2c(c1)CCCC2 ZINC000601067172 903291492 /nfs/dbraw/zinc/29/14/92/903291492.db2.gz OAGGFBAATJCUPV-NPPFBWRTSA-N 2 1 380.536 3.665 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1)c1ccc2c(c1)CCCC2 ZINC000601067172 903291502 /nfs/dbraw/zinc/29/15/02/903291502.db2.gz OAGGFBAATJCUPV-NPPFBWRTSA-N 2 1 380.536 3.665 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000846989452 903370407 /nfs/dbraw/zinc/37/04/07/903370407.db2.gz BIKHKVKFNFFYEM-QUCCMNQESA-N 2 1 390.572 3.854 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000846989452 903370421 /nfs/dbraw/zinc/37/04/21/903370421.db2.gz BIKHKVKFNFFYEM-QUCCMNQESA-N 2 1 390.572 3.854 20 0 GHADMP O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000646602956 914711696 /nfs/dbraw/zinc/71/16/96/914711696.db2.gz MIMOJBDDTFIXOE-DEOSSOPVSA-N 2 1 391.559 3.601 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000601237071 903494284 /nfs/dbraw/zinc/49/42/84/903494284.db2.gz ZNTRJYGPZDINFC-SIKLNZKXSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000779075412 903920878 /nfs/dbraw/zinc/92/08/78/903920878.db2.gz WATFXRBAFRRVTF-VYDXJSESSA-N 2 1 376.545 3.548 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000779075412 903920892 /nfs/dbraw/zinc/92/08/92/903920892.db2.gz WATFXRBAFRRVTF-VYDXJSESSA-N 2 1 376.545 3.548 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000779075411 903921138 /nfs/dbraw/zinc/92/11/38/903921138.db2.gz WATFXRBAFRRVTF-HLLBOEOZSA-N 2 1 376.545 3.548 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000779075411 903921154 /nfs/dbraw/zinc/92/11/54/903921154.db2.gz WATFXRBAFRRVTF-HLLBOEOZSA-N 2 1 376.545 3.548 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000779075413 903921513 /nfs/dbraw/zinc/92/15/13/903921513.db2.gz WATFXRBAFRRVTF-YQQAZPJKSA-N 2 1 376.545 3.548 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000779075413 903921526 /nfs/dbraw/zinc/92/15/26/903921526.db2.gz WATFXRBAFRRVTF-YQQAZPJKSA-N 2 1 376.545 3.548 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1 ZINC001148325842 904041046 /nfs/dbraw/zinc/04/10/46/904041046.db2.gz KDEYWIZIYACNFC-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP C[NH+](CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC001148325842 904041057 /nfs/dbraw/zinc/04/10/57/904041057.db2.gz KDEYWIZIYACNFC-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP C[NH+](CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC001148325842 904041077 /nfs/dbraw/zinc/04/10/77/904041077.db2.gz KDEYWIZIYACNFC-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151355127 904112622 /nfs/dbraw/zinc/11/26/22/904112622.db2.gz YVVIJWKXXNMKJO-AWEZNQCLSA-N 2 1 377.529 3.755 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000578787042 904121660 /nfs/dbraw/zinc/12/16/60/904121660.db2.gz AEGQBNZZSUXETM-MRXNPFEDSA-N 2 1 381.314 3.522 20 0 GHADMP CCN(Cc1cccc(Cl)c1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000579154189 904383317 /nfs/dbraw/zinc/38/33/17/904383317.db2.gz WAGCNNIYTHUBLZ-UHFFFAOYSA-N 2 1 391.987 3.885 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000773127814 904459844 /nfs/dbraw/zinc/45/98/44/904459844.db2.gz BUPRCAIJENMANU-UIFIKXQLSA-N 2 1 387.568 3.790 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000579588719 904723666 /nfs/dbraw/zinc/72/36/66/904723666.db2.gz WWBZHFJHYXGIKS-WTIAFYNJSA-N 2 1 379.548 3.978 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171537074 904763018 /nfs/dbraw/zinc/76/30/18/904763018.db2.gz YENCOBZGMDCOME-OAHLLOKOSA-N 2 1 375.438 3.904 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CCc3cc(F)c(F)c(F)c3C2)c2c1CC[NH2+]C2 ZINC001171537223 904763589 /nfs/dbraw/zinc/76/35/89/904763589.db2.gz ZGDBTYGIHRWGLD-AWEZNQCLSA-N 2 1 392.469 3.516 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)CC1 ZINC001171592995 904819337 /nfs/dbraw/zinc/81/93/37/904819337.db2.gz HUQQLZVWKMEQOT-MOPGFXCFSA-N 2 1 397.604 3.501 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554714 904826290 /nfs/dbraw/zinc/82/62/90/904826290.db2.gz ONJNMKMPQMKCNA-GOSISDBHSA-N 2 1 392.503 3.560 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554714 904826306 /nfs/dbraw/zinc/82/63/06/904826306.db2.gz ONJNMKMPQMKCNA-GOSISDBHSA-N 2 1 392.503 3.560 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCCC2)CC1(C)C ZINC001171629694 904851614 /nfs/dbraw/zinc/85/16/14/904851614.db2.gz CJCWROFRGHKMFD-NRFANRHFSA-N 2 1 385.596 3.851 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)CC1(C)C ZINC001171636127 904924077 /nfs/dbraw/zinc/92/40/77/904924077.db2.gz BMYPTYONEXYPBW-FUHWJXTLSA-N 2 1 376.614 3.691 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CC1(C)C ZINC001171640624 904929993 /nfs/dbraw/zinc/92/99/93/904929993.db2.gz HPSOELSWWPCXAC-JQHSSLGASA-N 2 1 379.589 3.873 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)CC1(C)C ZINC001171641947 904931972 /nfs/dbraw/zinc/93/19/72/904931972.db2.gz XBUZBYZEYSQYOU-GOSISDBHSA-N 2 1 375.532 3.671 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171753953 904986151 /nfs/dbraw/zinc/98/61/51/904986151.db2.gz YUWQWAZIVBVSHY-NMIHRBCNSA-N 2 1 381.589 3.775 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C[N@H+]1Cc1ccccc1 ZINC001171756169 904990429 /nfs/dbraw/zinc/99/04/29/904990429.db2.gz PEQXIZXLDFIUPO-YJMBLLCNSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C[NH+]1Cc1ccccc1 ZINC001171756169 904990453 /nfs/dbraw/zinc/99/04/53/904990453.db2.gz PEQXIZXLDFIUPO-YJMBLLCNSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C[NH+]1Cc1ccccc1 ZINC001171756169 904990467 /nfs/dbraw/zinc/99/04/67/904990467.db2.gz PEQXIZXLDFIUPO-YJMBLLCNSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC001171768147 905010354 /nfs/dbraw/zinc/01/03/54/905010354.db2.gz SLORLYSFARHAFM-OCFYOKIWSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C[NH+]1Cc1ccccc1 ZINC001171768147 905010374 /nfs/dbraw/zinc/01/03/74/905010374.db2.gz SLORLYSFARHAFM-OCFYOKIWSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[NH+]1Cc1ccccc1 ZINC001171768147 905010392 /nfs/dbraw/zinc/01/03/92/905010392.db2.gz SLORLYSFARHAFM-OCFYOKIWSA-N 2 1 375.560 3.856 20 0 GHADMP COc1ccccc1CC1([NH3+])CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171738777 905025193 /nfs/dbraw/zinc/02/51/93/905025193.db2.gz NOMBRDAVRRKGDT-REWPJTCUSA-N 2 1 393.575 3.694 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990734 905201854 /nfs/dbraw/zinc/20/18/54/905201854.db2.gz NPCOUYDZXIKOEK-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990734 905201861 /nfs/dbraw/zinc/20/18/61/905201861.db2.gz NPCOUYDZXIKOEK-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990734 905201877 /nfs/dbraw/zinc/20/18/77/905201877.db2.gz NPCOUYDZXIKOEK-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990734 905201891 /nfs/dbraw/zinc/20/18/91/905201891.db2.gz NPCOUYDZXIKOEK-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP CN1C(=O)CCC12CCC([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171970063 905217282 /nfs/dbraw/zinc/21/72/82/905217282.db2.gz XVIGBZAEULHULN-ZPGVXSSASA-N 2 1 383.580 3.953 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2cccc(OC3COC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001171972841 905217954 /nfs/dbraw/zinc/21/79/54/905217954.db2.gz SXVWKTQNTZEKHK-OAQYLSRUSA-N 2 1 380.532 3.997 20 0 GHADMP CC(C)(C)[C@@H](CN1CCOCC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979793 905228929 /nfs/dbraw/zinc/22/89/29/905228929.db2.gz QZTSKVICXCTTMZ-FCHUYYIVSA-N 2 1 387.612 3.766 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986656 905243445 /nfs/dbraw/zinc/24/34/45/905243445.db2.gz KEAHMZHFNKJCRK-LEWJYISDSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986656 905243455 /nfs/dbraw/zinc/24/34/55/905243455.db2.gz KEAHMZHFNKJCRK-LEWJYISDSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986656 905243468 /nfs/dbraw/zinc/24/34/68/905243468.db2.gz KEAHMZHFNKJCRK-LEWJYISDSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986656 905243482 /nfs/dbraw/zinc/24/34/82/905243482.db2.gz KEAHMZHFNKJCRK-LEWJYISDSA-N 2 1 386.584 3.602 20 0 GHADMP O=C1Nc2ccccc2[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070623 905274656 /nfs/dbraw/zinc/27/46/56/905274656.db2.gz QDRVVGLAFFRJTF-XWSHUIEDSA-N 2 1 375.516 3.898 20 0 GHADMP [NH2+]=C(N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnc2ccc(F)cn12 ZINC001172070970 905274741 /nfs/dbraw/zinc/27/47/41/905274741.db2.gz UCCMYKUAWYBILH-OWZKRDHZSA-N 2 1 391.494 3.974 20 0 GHADMP CC(C)(CC(=O)N1CCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076992 905286321 /nfs/dbraw/zinc/28/63/21/905286321.db2.gz NOGCVXGFFOSKPK-DKUWSORSSA-N 2 1 383.580 3.953 20 0 GHADMP CN1C(=O)CC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@@H]21 ZINC001172087752 905301801 /nfs/dbraw/zinc/30/18/01/905301801.db2.gz LNQODXVHPIHOLQ-VROINQGHSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@@H]21 ZINC001172087752 905301817 /nfs/dbraw/zinc/30/18/17/905301817.db2.gz LNQODXVHPIHOLQ-VROINQGHSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@@H]21 ZINC001172087752 905301835 /nfs/dbraw/zinc/30/18/35/905301835.db2.gz LNQODXVHPIHOLQ-VROINQGHSA-N 2 1 381.564 3.515 20 0 GHADMP CC[NH+](CC)C[C@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172086644 905303963 /nfs/dbraw/zinc/30/39/63/905303963.db2.gz HSCDVVKPAYBLJP-KEZOAJOQSA-N 2 1 385.596 3.615 20 0 GHADMP CCC(=O)N(C)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172089947 905307330 /nfs/dbraw/zinc/30/73/30/905307330.db2.gz SZNKPSOQUDMRCN-NUNAXRQHSA-N 2 1 383.580 3.905 20 0 GHADMP Cc1nccnc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090979 905313422 /nfs/dbraw/zinc/31/34/22/905313422.db2.gz YXXRFPQNISXXAH-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090979 905313441 /nfs/dbraw/zinc/31/34/41/905313441.db2.gz YXXRFPQNISXXAH-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090979 905313458 /nfs/dbraw/zinc/31/34/58/905313458.db2.gz YXXRFPQNISXXAH-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090979 905313465 /nfs/dbraw/zinc/31/34/65/905313465.db2.gz YXXRFPQNISXXAH-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172065201 905326464 /nfs/dbraw/zinc/32/64/64/905326464.db2.gz IVWLWACSOQFMCM-DTUBNOLGSA-N 2 1 383.580 3.543 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(C2COC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172065201 905326498 /nfs/dbraw/zinc/32/64/98/905326498.db2.gz IVWLWACSOQFMCM-DTUBNOLGSA-N 2 1 383.580 3.543 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(C2COC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065201 905326512 /nfs/dbraw/zinc/32/65/12/905326512.db2.gz IVWLWACSOQFMCM-DTUBNOLGSA-N 2 1 383.580 3.543 20 0 GHADMP [NH3+]C[C@H]1Cc2ccccc2CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065913 905330617 /nfs/dbraw/zinc/33/06/17/905330617.db2.gz BIYQERSDPYDNSX-WSOYEBOPSA-N 2 1 375.560 3.958 20 0 GHADMP Cc1cc(N2CC[C@@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC001172068215 905333195 /nfs/dbraw/zinc/33/31/95/905333195.db2.gz UROCCHRKYXWCCE-ODAXIHTASA-N 2 1 391.563 3.539 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CCCN(c4cnccn4)C2)C3)cc1 ZINC001172068244 905336592 /nfs/dbraw/zinc/33/65/92/905336592.db2.gz JFDZIZMMFYSERZ-GPJHCHHRSA-N 2 1 391.563 3.621 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172111284 905358523 /nfs/dbraw/zinc/35/85/23/905358523.db2.gz PMAQUMLOHBAAMT-YSTOQKLRSA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172111284 905358542 /nfs/dbraw/zinc/35/85/42/905358542.db2.gz PMAQUMLOHBAAMT-YSTOQKLRSA-N 2 1 381.568 3.630 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)c4ccsc4)C3)CC1)C2 ZINC001172116944 905372393 /nfs/dbraw/zinc/37/23/93/905372393.db2.gz HRLYXHZAZXLFPU-PMOLBWCYSA-N 2 1 387.593 3.692 20 0 GHADMP CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172117991 905372749 /nfs/dbraw/zinc/37/27/49/905372749.db2.gz TZDZBWCKEKYNBA-AFXVXQJMSA-N 2 1 395.591 3.872 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172513407 905607617 /nfs/dbraw/zinc/60/76/17/905607617.db2.gz CHIYHIIUQIQRAA-KVAWTYEWSA-N 2 1 381.564 3.532 20 0 GHADMP CCCCCC[C@@H](CCCC)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172513291 905607778 /nfs/dbraw/zinc/60/77/78/905607778.db2.gz MWXILUWVSPDWBK-GOSISDBHSA-N 2 1 392.588 3.853 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175767813 905662671 /nfs/dbraw/zinc/66/26/71/905662671.db2.gz FUVNIVBQHDJCIP-IBGZPJMESA-N 2 1 390.597 3.574 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175767813 905662679 /nfs/dbraw/zinc/66/26/79/905662679.db2.gz FUVNIVBQHDJCIP-IBGZPJMESA-N 2 1 390.597 3.574 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC(NCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172637832 905699496 /nfs/dbraw/zinc/69/94/96/905699496.db2.gz SOOJREBOTAFRKV-APWZRJJASA-N 2 1 398.469 3.991 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172637832 905699509 /nfs/dbraw/zinc/69/95/09/905699509.db2.gz SOOJREBOTAFRKV-APWZRJJASA-N 2 1 398.469 3.991 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172645551 905709596 /nfs/dbraw/zinc/70/95/96/905709596.db2.gz NJLUEZNXGVKDNV-ZGXWSNOMSA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172645551 905709603 /nfs/dbraw/zinc/70/96/03/905709603.db2.gz NJLUEZNXGVKDNV-ZGXWSNOMSA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172645551 905709611 /nfs/dbraw/zinc/70/96/11/905709611.db2.gz NJLUEZNXGVKDNV-ZGXWSNOMSA-N 2 1 379.589 3.828 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000628168754 905991163 /nfs/dbraw/zinc/99/11/63/905991163.db2.gz GSKZQEMUSUVVPX-PZJWPPBQSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000628168754 905991176 /nfs/dbraw/zinc/99/11/76/905991176.db2.gz GSKZQEMUSUVVPX-PZJWPPBQSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000628168754 905991192 /nfs/dbraw/zinc/99/11/92/905991192.db2.gz GSKZQEMUSUVVPX-PZJWPPBQSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000628168754 905991204 /nfs/dbraw/zinc/99/12/04/905991204.db2.gz GSKZQEMUSUVVPX-PZJWPPBQSA-N 2 1 389.971 3.543 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172951682 906057341 /nfs/dbraw/zinc/05/73/41/906057341.db2.gz VWJDNCGIFBFILM-QGZVFWFLSA-N 2 1 376.545 3.594 20 0 GHADMP C[C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173058048 906133697 /nfs/dbraw/zinc/13/36/97/906133697.db2.gz ALFBEQQUPWRKHD-JPLJXNOCSA-N 2 1 395.588 3.525 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCCn3cnc(COc4cccnc4)c3C2)CC1 ZINC001173110557 906196641 /nfs/dbraw/zinc/19/66/41/906196641.db2.gz LKSLPURLMBLPGD-UHFFFAOYSA-N 2 1 397.567 3.716 20 0 GHADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2cnn(CC3CC3)c21 ZINC001173109892 906196753 /nfs/dbraw/zinc/19/67/53/906196753.db2.gz FAWOYGVRIMLPJY-HWELCPFYSA-N 2 1 388.600 3.882 20 0 GHADMP CCOC[C@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2nn(CC3CC3)cc21 ZINC001173112193 906200406 /nfs/dbraw/zinc/20/04/06/906200406.db2.gz XWAHRZSAZUCRNO-QNGMFEMESA-N 2 1 388.600 3.882 20 0 GHADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2nn(CC3CC3)cc21 ZINC001173112193 906200417 /nfs/dbraw/zinc/20/04/17/906200417.db2.gz XWAHRZSAZUCRNO-QNGMFEMESA-N 2 1 388.600 3.882 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2CCn3cc(CN(C)Cc4ccco4)nc3C2)CC1 ZINC001173112128 906200589 /nfs/dbraw/zinc/20/05/89/906200589.db2.gz QXHBLOLEYRJXNF-UHFFFAOYSA-N 2 1 399.583 3.577 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCn3cc(CN(C)Cc4ccco4)nc3C2)CC1 ZINC001173112128 906200608 /nfs/dbraw/zinc/20/06/08/906200608.db2.gz QXHBLOLEYRJXNF-UHFFFAOYSA-N 2 1 399.583 3.577 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)CC1 ZINC001173112031 906200990 /nfs/dbraw/zinc/20/09/90/906200990.db2.gz UVFDSFCHSXGVRA-XEVCZEQESA-N 2 1 376.589 3.645 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)CC1 ZINC001173112031 906201010 /nfs/dbraw/zinc/20/10/10/906201010.db2.gz UVFDSFCHSXGVRA-XEVCZEQESA-N 2 1 376.589 3.645 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001173113879 906202250 /nfs/dbraw/zinc/20/22/50/906202250.db2.gz NQEVDMDSQADXEY-WYRHQLMOSA-N 2 1 379.589 3.875 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)CC1 ZINC001173114307 906202505 /nfs/dbraw/zinc/20/25/05/906202505.db2.gz GDBNQBCVUSBZFR-UVHRUJRTSA-N 2 1 379.589 3.828 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173133777 906214038 /nfs/dbraw/zinc/21/40/38/906214038.db2.gz FCRAEAHBUOCBKZ-WOJBJXKFSA-N 2 1 397.588 3.756 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C1)CO2 ZINC001173166834 906224152 /nfs/dbraw/zinc/22/41/52/906224152.db2.gz PEUMTUCKDOVIEO-FKBYEOEOSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C1)CO2 ZINC001173166834 906224173 /nfs/dbraw/zinc/22/41/73/906224173.db2.gz PEUMTUCKDOVIEO-FKBYEOEOSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C1)CO2 ZINC001173166834 906224194 /nfs/dbraw/zinc/22/41/94/906224194.db2.gz PEUMTUCKDOVIEO-FKBYEOEOSA-N 2 1 392.543 3.843 20 0 GHADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@H]2CCCC4(CCCCC4)C2)CC3)CC1 ZINC001173343039 906382897 /nfs/dbraw/zinc/38/28/97/906382897.db2.gz GNQHPCKTJLOIJX-FQEVSTJZSA-N 2 1 397.611 3.522 20 0 GHADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@H]2CCCC4(CCCCC4)C2)CC3)CC1 ZINC001173343039 906382914 /nfs/dbraw/zinc/38/29/14/906382914.db2.gz GNQHPCKTJLOIJX-FQEVSTJZSA-N 2 1 397.611 3.522 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001173413463 906440772 /nfs/dbraw/zinc/44/07/72/906440772.db2.gz ICBPEKJTCZUZMQ-ACDBMABISA-N 2 1 375.944 3.550 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001173413463 906440779 /nfs/dbraw/zinc/44/07/79/906440779.db2.gz ICBPEKJTCZUZMQ-ACDBMABISA-N 2 1 375.944 3.550 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001173452569 906492929 /nfs/dbraw/zinc/49/29/29/906492929.db2.gz TVRACKREDBTTOO-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001173452569 906492937 /nfs/dbraw/zinc/49/29/37/906492937.db2.gz TVRACKREDBTTOO-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001173452569 906492945 /nfs/dbraw/zinc/49/29/45/906492945.db2.gz TVRACKREDBTTOO-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001173452569 906492951 /nfs/dbraw/zinc/49/29/51/906492951.db2.gz TVRACKREDBTTOO-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001173708457 906658342 /nfs/dbraw/zinc/65/83/42/906658342.db2.gz HZOJJYSGDQDIKE-DENIHFKCSA-N 2 1 380.532 3.906 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)c1ccccc1 ZINC000180425827 906768413 /nfs/dbraw/zinc/76/84/13/906768413.db2.gz MVHIFXKADZKOMR-HSZRJFAPSA-N 2 1 394.563 3.849 20 0 GHADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOCC1 ZINC000629522388 906853959 /nfs/dbraw/zinc/85/39/59/906853959.db2.gz YWROOICBFBLCQX-OAHLLOKOSA-N 2 1 377.941 3.938 20 0 GHADMP Cn1c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc2c1cccc2F ZINC000180863776 906864815 /nfs/dbraw/zinc/86/48/15/906864815.db2.gz BAQHVQLRMKUKQQ-UHFFFAOYSA-N 2 1 380.511 3.552 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1C(F)(F)F ZINC000629559680 906866849 /nfs/dbraw/zinc/86/68/49/906866849.db2.gz BNFFXYURZHRNGJ-QFBILLFUSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1C(F)(F)F ZINC000629559680 906866860 /nfs/dbraw/zinc/86/68/60/906866860.db2.gz BNFFXYURZHRNGJ-QFBILLFUSA-N 2 1 379.426 3.620 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000181956319 907105246 /nfs/dbraw/zinc/10/52/46/907105246.db2.gz OLEFUULBMBPWLR-IBGZPJMESA-N 2 1 394.563 3.633 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479788 907306454 /nfs/dbraw/zinc/30/64/54/907306454.db2.gz ZBISISUMQIGQDT-SLFFLAALSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479788 907306467 /nfs/dbraw/zinc/30/64/67/907306467.db2.gz ZBISISUMQIGQDT-SLFFLAALSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479788 907306485 /nfs/dbraw/zinc/30/64/85/907306485.db2.gz ZBISISUMQIGQDT-SLFFLAALSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479788 907306501 /nfs/dbraw/zinc/30/65/01/907306501.db2.gz ZBISISUMQIGQDT-SLFFLAALSA-N 2 1 379.589 3.972 20 0 GHADMP c1ccc(COc2ccccc2CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000631657479 907793345 /nfs/dbraw/zinc/79/33/45/907793345.db2.gz DFPCNNIBTVQGFQ-HSZRJFAPSA-N 2 1 380.532 3.651 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC001177221851 908470554 /nfs/dbraw/zinc/47/05/54/908470554.db2.gz DNOFDDILVZTBHK-GVAUOCQISA-N 2 1 399.623 3.940 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)cc1 ZINC001177266125 908507089 /nfs/dbraw/zinc/50/70/89/908507089.db2.gz AYPMUTTZPWQHOJ-DUXKGJEZSA-N 2 1 376.516 3.784 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(Br)c1OC ZINC001177333373 908530224 /nfs/dbraw/zinc/53/02/24/908530224.db2.gz APYXWEDIWOHDPZ-UHFFFAOYSA-N 2 1 397.357 3.820 20 0 GHADMP [NH3+]C1(Cc2nc(Cc3ccc(Cl)cc3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634554607 908763179 /nfs/dbraw/zinc/76/31/79/908763179.db2.gz HHPUHIIUYYXSLK-UHFFFAOYSA-N 2 1 396.922 3.850 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCc3occc32)c1)C1CCOCC1 ZINC000192815363 908827269 /nfs/dbraw/zinc/82/72/69/908827269.db2.gz PXRWINUGSHQROL-QFIPXVFZSA-N 2 1 384.520 3.936 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637899819 909998798 /nfs/dbraw/zinc/99/87/98/909998798.db2.gz SRJJXINDNRSULX-QFIPXVFZSA-N 2 1 377.532 3.734 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268871369 910053046 /nfs/dbraw/zinc/05/30/46/910053046.db2.gz IVMVBTZOQHUHSQ-DENIHFKCSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268871369 910053060 /nfs/dbraw/zinc/05/30/60/910053060.db2.gz IVMVBTZOQHUHSQ-DENIHFKCSA-N 2 1 395.547 3.782 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CCN(c4ccccc4)C3)CC2)CC1 ZINC000638137210 910063094 /nfs/dbraw/zinc/06/30/94/910063094.db2.gz SDJKDBAQFDAYJA-QHCPKHFHSA-N 2 1 398.639 3.641 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638137210 910063103 /nfs/dbraw/zinc/06/31/03/910063103.db2.gz SDJKDBAQFDAYJA-QHCPKHFHSA-N 3 1 398.639 3.641 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638137210 910063118 /nfs/dbraw/zinc/06/31/18/910063118.db2.gz SDJKDBAQFDAYJA-QHCPKHFHSA-N 3 1 398.639 3.641 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[C@@H]1[NH3+] ZINC000638207711 910087365 /nfs/dbraw/zinc/08/73/65/910087365.db2.gz OFHOJGXUKZGVAJ-BQJUDKOJSA-N 2 1 397.588 3.550 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC001274471468 910266530 /nfs/dbraw/zinc/26/65/30/910266530.db2.gz JNHLBUZINMGILD-FPOVZHCZSA-N 2 1 377.960 3.667 20 0 GHADMP c1ccc([C@H](C[NH+]2CCC[C@H]3COCC[C@@H]32)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516317 910479773 /nfs/dbraw/zinc/47/97/73/910479773.db2.gz QVVIPRJITMFSSM-QVXKZJQXSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CCC[C@@H]3COCC[C@@H]32)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000639516317 910479787 /nfs/dbraw/zinc/47/97/87/910479787.db2.gz QVVIPRJITMFSSM-QVXKZJQXSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CCC[C@@H]3COCC[C@@H]32)C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000639516317 910479792 /nfs/dbraw/zinc/47/97/92/910479792.db2.gz QVVIPRJITMFSSM-QVXKZJQXSA-N 2 1 398.591 3.772 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)C2)CC1 ZINC000639760326 910651884 /nfs/dbraw/zinc/65/18/84/910651884.db2.gz VACJQISDVWREGC-UHFFFAOYSA-N 2 1 380.414 3.673 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246812271 910658004 /nfs/dbraw/zinc/65/80/04/910658004.db2.gz NJWWMQSFTIHPQB-GGPKGHCWSA-N 2 1 377.573 3.582 20 0 GHADMP CC(CN1CCC(C)([NH+]2CCCC2)CC1)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982534 910765238 /nfs/dbraw/zinc/76/52/38/910765238.db2.gz PXAKSODKHLFDLF-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCc2ccccc2C1 ZINC001181639162 910866933 /nfs/dbraw/zinc/86/69/33/910866933.db2.gz YZGRVDJHXYSUCE-QHCPKHFHSA-N 2 1 377.576 3.541 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001181869226 911050833 /nfs/dbraw/zinc/05/08/33/911050833.db2.gz UKDHXBURTZMLOJ-UHFFFAOYSA-N 2 1 398.595 3.803 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532695 911054107 /nfs/dbraw/zinc/05/41/07/911054107.db2.gz IIHXVNIKUJTPJE-UHFFFAOYSA-N 2 1 397.567 3.626 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532695 911054132 /nfs/dbraw/zinc/05/41/32/911054132.db2.gz IIHXVNIKUJTPJE-UHFFFAOYSA-N 2 1 397.567 3.626 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)C1 ZINC001182034065 911137940 /nfs/dbraw/zinc/13/79/40/911137940.db2.gz SMXHFTQVSAGOQK-MFXLTOHQSA-N 2 1 377.573 3.582 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)N(C)Cc3ccccc3)C[C@H]2C1 ZINC001182239575 911361836 /nfs/dbraw/zinc/36/18/36/911361836.db2.gz GNRDDMGZYUMJPW-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239575 911361860 /nfs/dbraw/zinc/36/18/60/911361860.db2.gz GNRDDMGZYUMJPW-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239575 911361882 /nfs/dbraw/zinc/36/18/82/911361882.db2.gz GNRDDMGZYUMJPW-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[NH+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239575 911361897 /nfs/dbraw/zinc/36/18/97/911361897.db2.gz GNRDDMGZYUMJPW-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[NH+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239575 911361917 /nfs/dbraw/zinc/36/19/17/911361917.db2.gz GNRDDMGZYUMJPW-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000284119195 911761113 /nfs/dbraw/zinc/76/11/13/911761113.db2.gz PFXIOUUOXBTIIO-SCZRWQTQSA-N 2 1 386.580 3.587 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC001182475040 911797589 /nfs/dbraw/zinc/79/75/89/911797589.db2.gz ZDMVVXXPEFYDMY-ZEQRLZLVSA-N 2 1 391.559 3.708 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1c(F)cccc1F ZINC000092821565 911839798 /nfs/dbraw/zinc/83/97/98/911839798.db2.gz OOVGSLIFGNYBGL-FQEVSTJZSA-N 2 1 375.463 3.632 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001182826045 912069304 /nfs/dbraw/zinc/06/93/04/912069304.db2.gz NMOHORVVAZGSPJ-DFBJGRDBSA-N 2 1 378.560 3.853 20 0 GHADMP C[C@H]1C[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000647249272 915107291 /nfs/dbraw/zinc/10/72/91/915107291.db2.gz OXWMGNSFSAKONP-KTJVCJKDSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1C[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249272 915107302 /nfs/dbraw/zinc/10/73/02/915107302.db2.gz OXWMGNSFSAKONP-KTJVCJKDSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1C[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249272 915107316 /nfs/dbraw/zinc/10/73/16/915107316.db2.gz OXWMGNSFSAKONP-KTJVCJKDSA-N 2 1 377.576 3.975 20 0 GHADMP CC(C)C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288889 915139075 /nfs/dbraw/zinc/13/90/75/915139075.db2.gz TYIXSRZCVAHMFU-XZOQPEGZSA-N 2 1 394.563 3.656 20 0 GHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCc1cccs1 ZINC000647334131 915157210 /nfs/dbraw/zinc/15/72/10/915157210.db2.gz GGZKXRLGYOBYCC-XWSHUIEDSA-N 2 1 397.588 3.928 20 0 GHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCc1cccs1 ZINC000647334131 915157216 /nfs/dbraw/zinc/15/72/16/915157216.db2.gz GGZKXRLGYOBYCC-XWSHUIEDSA-N 2 1 397.588 3.928 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](Cc4cncc5ccccc54)CC3)C2)cc1 ZINC000796382027 915327297 /nfs/dbraw/zinc/32/72/97/915327297.db2.gz HASKWDKFQXICOU-DEOSSOPVSA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4cncc5ccccc54)CC3)C2)cc1 ZINC000796382027 915327315 /nfs/dbraw/zinc/32/73/15/915327315.db2.gz HASKWDKFQXICOU-DEOSSOPVSA-N 2 1 386.543 3.627 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071943 915508422 /nfs/dbraw/zinc/50/84/22/915508422.db2.gz BVLQUYDJGUTTCO-UHFFFAOYSA-N 2 1 380.532 3.967 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071943 915508432 /nfs/dbraw/zinc/50/84/32/915508432.db2.gz BVLQUYDJGUTTCO-UHFFFAOYSA-N 2 1 380.532 3.967 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000648754730 915864171 /nfs/dbraw/zinc/86/41/71/915864171.db2.gz YPTHRIFIFHKHNI-INIZCTEOSA-N 2 1 376.932 3.640 20 0 GHADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000292898419 915894428 /nfs/dbraw/zinc/89/44/28/915894428.db2.gz DIOIMVRKHOSQTD-DVECYGJZSA-N 2 1 398.522 3.915 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649319707 916100213 /nfs/dbraw/zinc/10/02/13/916100213.db2.gz RVAQWYRZQNLCTH-OAQYLSRUSA-N 2 1 385.939 3.710 20 0 GHADMP Cc1cc(Br)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000649696320 916339316 /nfs/dbraw/zinc/33/93/16/916339316.db2.gz SHMZEEHMUTZFQT-UHFFFAOYSA-N 2 1 388.781 3.528 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000361215453 916573404 /nfs/dbraw/zinc/57/34/04/916573404.db2.gz NPAIXPSCQIZIHX-UHFFFAOYSA-N 2 1 398.595 3.557 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H](c5cccnc5)C4)[C@@H]3C2)cc1 ZINC000295119543 917151088 /nfs/dbraw/zinc/15/10/88/917151088.db2.gz XDKHGPIWRGVNKO-JTKSJCOOSA-N 2 1 377.532 3.802 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707035 917244198 /nfs/dbraw/zinc/24/41/98/917244198.db2.gz XGUTVPQQGCQMCP-ZDXQCDESSA-N 2 1 396.579 3.575 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCCc1ccccc1 ZINC001190373597 917308936 /nfs/dbraw/zinc/30/89/36/917308936.db2.gz BFISHESZURFVGF-ZJSXRUAMSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCCc1ccccc1 ZINC001190373597 917308952 /nfs/dbraw/zinc/30/89/52/917308952.db2.gz BFISHESZURFVGF-ZJSXRUAMSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCCc1ccccc1 ZINC001190373597 917308970 /nfs/dbraw/zinc/30/89/70/917308970.db2.gz BFISHESZURFVGF-ZJSXRUAMSA-N 2 1 393.575 3.720 20 0 GHADMP CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCc2ccccc2C1 ZINC001190510311 917374324 /nfs/dbraw/zinc/37/43/24/917374324.db2.gz LTNSUNZSZUOXCO-ZEQRLZLVSA-N 2 1 393.575 3.675 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000295776018 917484340 /nfs/dbraw/zinc/48/43/40/917484340.db2.gz APCNECLKLHETRQ-HXUWFJFHSA-N 2 1 382.552 3.942 20 0 GHADMP CC(C)c1[nH+]c(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2ccccn21 ZINC000651758988 917705436 /nfs/dbraw/zinc/70/54/36/917705436.db2.gz WXCDFMOGFUUJBI-OAQYLSRUSA-N 2 1 392.547 3.704 20 0 GHADMP CCn1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH2+][C@@H](C)c3cnn(CC)c3)c2)cn1 ZINC000296114561 917862486 /nfs/dbraw/zinc/86/24/86/917862486.db2.gz QOBJGUQBDUHDGK-SJORKVTESA-N 2 1 398.530 3.960 20 0 GHADMP CCn1cc([C@@H](C)[NH2+]Cc2cc(C[NH2+][C@@H](C)c3cnn(CC)c3)ccc2F)cn1 ZINC000296114555 917862983 /nfs/dbraw/zinc/86/29/83/917862983.db2.gz QOBJGUQBDUHDGK-DLBZAZTESA-N 2 1 398.530 3.960 20 0 GHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345715 917877116 /nfs/dbraw/zinc/87/71/16/917877116.db2.gz KBYSLPDONKHHAB-HUUJSLGLSA-N 2 1 387.568 3.664 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000652363161 917882156 /nfs/dbraw/zinc/88/21/56/917882156.db2.gz ZLKIEXJHASGPLK-NEWSRXKRSA-N 2 1 386.458 3.835 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000652361531 917882645 /nfs/dbraw/zinc/88/26/45/917882645.db2.gz JTNQOLKKTORTHR-MZYLBHOOSA-N 2 1 393.531 3.800 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccccc3F)n2)C1 ZINC000652362465 917883142 /nfs/dbraw/zinc/88/31/42/917883142.db2.gz HYYKZGYPZQKZSB-CCKFTAQKSA-N 2 1 375.513 3.810 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000653617225 918360010 /nfs/dbraw/zinc/36/00/10/918360010.db2.gz MMCYJIUZAPTDAL-GMAHTHKFSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000381682507 919469987 /nfs/dbraw/zinc/46/99/87/919469987.db2.gz DIDVJYWAQXNJJA-ZWKOTPCHSA-N 2 1 375.557 3.585 20 0 GHADMP CC(C)n1ncc2c1C[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)CC2 ZINC000364772112 919986417 /nfs/dbraw/zinc/98/64/17/919986417.db2.gz RGSMGKUSDQSXOJ-JOCHJYFZSA-N 2 1 384.543 3.757 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000365099397 920378886 /nfs/dbraw/zinc/37/88/86/920378886.db2.gz LHUCGNQFWUYFJJ-HSZRJFAPSA-N 2 1 391.559 3.537 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)C1 ZINC000367845175 922333000 /nfs/dbraw/zinc/33/30/00/922333000.db2.gz BATAXYVSLBMHJT-QHCPKHFHSA-N 2 1 379.504 3.835 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)C1 ZINC000367845175 922333015 /nfs/dbraw/zinc/33/30/15/922333015.db2.gz BATAXYVSLBMHJT-QHCPKHFHSA-N 2 1 379.504 3.835 20 0 GHADMP COc1ccccc1-c1noc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000368434283 922671179 /nfs/dbraw/zinc/67/11/79/922671179.db2.gz ORYBRNUOJCJTPD-SFHVURJKSA-N 2 1 384.524 3.799 20 0 GHADMP COc1ccccc1-c1noc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000368434283 922671189 /nfs/dbraw/zinc/67/11/89/922671189.db2.gz ORYBRNUOJCJTPD-SFHVURJKSA-N 2 1 384.524 3.799 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903047860 922726918 /nfs/dbraw/zinc/72/69/18/922726918.db2.gz FSCOLTSOSHLNDB-KBXCAEBGSA-N 2 1 379.426 3.518 20 0 GHADMP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000903126264 922795011 /nfs/dbraw/zinc/79/50/11/922795011.db2.gz RKOJDPZRLQQALR-SHFXZJCHSA-N 2 1 382.470 3.604 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C12CCC2 ZINC000903206830 922853195 /nfs/dbraw/zinc/85/31/95/922853195.db2.gz UACVASKOKVXFPQ-DQXYTYHJSA-N 2 1 375.557 3.666 20 0 GHADMP C[NH+](C)CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC000903379975 922977614 /nfs/dbraw/zinc/97/76/14/922977614.db2.gz JKOZAGBMQQRNOT-UEQSERJNSA-N 2 1 378.564 3.860 20 0 GHADMP CC(C)Cn1ccc2c1cccc2C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369326689 923279214 /nfs/dbraw/zinc/27/92/14/923279214.db2.gz KAZALBGCFSNOKP-HXUWFJFHSA-N 2 1 396.579 3.538 20 0 GHADMP OC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000903940127 923413447 /nfs/dbraw/zinc/41/34/47/923413447.db2.gz XWPXKVKSBAAVEM-GBESFXJTSA-N 2 1 375.310 3.565 20 0 GHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903958018 923437136 /nfs/dbraw/zinc/43/71/36/923437136.db2.gz VPYYKKVDGOWGKU-INIZCTEOSA-N 2 1 382.886 3.536 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)c1ccccc1 ZINC000370216147 923962620 /nfs/dbraw/zinc/96/26/20/923962620.db2.gz OKROZIAKUAFEAC-UHFFFAOYSA-N 2 1 385.596 3.619 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)s2)cc1 ZINC000370702731 924265772 /nfs/dbraw/zinc/26/57/72/924265772.db2.gz RBJUFMWJALVZAV-NQIIRXRSSA-N 2 1 384.593 3.576 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)s2)cc1 ZINC000370702731 924265782 /nfs/dbraw/zinc/26/57/82/924265782.db2.gz RBJUFMWJALVZAV-NQIIRXRSSA-N 2 1 384.593 3.576 20 0 GHADMP Cc1cccc2nc(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cn21 ZINC001137297994 924365956 /nfs/dbraw/zinc/36/59/56/924365956.db2.gz VJSLHNHXBSJMNG-UHFFFAOYSA-N 2 1 389.547 3.914 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371349478 924538249 /nfs/dbraw/zinc/53/82/49/924538249.db2.gz JAJWEMWZUHBUQX-BEFAXECRSA-N 2 1 392.469 3.716 20 0 GHADMP Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678235976 924680908 /nfs/dbraw/zinc/68/09/08/924680908.db2.gz SDIICCKRXSPSOU-UHFFFAOYSA-N 2 1 384.549 3.811 20 0 GHADMP Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678235976 924680912 /nfs/dbraw/zinc/68/09/12/924680912.db2.gz SDIICCKRXSPSOU-UHFFFAOYSA-N 2 1 384.549 3.811 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1n[nH]c3ccccc31)CC2 ZINC001137345924 924895417 /nfs/dbraw/zinc/89/54/17/924895417.db2.gz DBXRSSWBNDKWJA-QGZVFWFLSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137345924 924895423 /nfs/dbraw/zinc/89/54/23/924895423.db2.gz DBXRSSWBNDKWJA-QGZVFWFLSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137345924 924895431 /nfs/dbraw/zinc/89/54/31/924895431.db2.gz DBXRSSWBNDKWJA-QGZVFWFLSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+]1CCCN(c2ccc(NC(=O)CC[C@H]([NH3+])CC3CCCCC3)cc2)CC1 ZINC000827251221 925136129 /nfs/dbraw/zinc/13/61/29/925136129.db2.gz XEXYFJQCDSIKBY-FQEVSTJZSA-N 2 1 386.584 3.845 20 0 GHADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)C ZINC000680037296 925337442 /nfs/dbraw/zinc/33/74/42/925337442.db2.gz FSJNZWLBAJZHKL-KZKAQZJJSA-N 2 1 385.596 3.911 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)NCc1cccs1 ZINC000680038516 925338782 /nfs/dbraw/zinc/33/87/82/925338782.db2.gz NIXCDRITVZKUPW-OZROYSPXSA-N 2 1 397.588 3.643 20 0 GHADMP CCN(C)[C@H](C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000410282572 925497051 /nfs/dbraw/zinc/49/70/51/925497051.db2.gz OXENCTRMJLMRDO-CTNGQTDRSA-N 2 1 380.536 3.618 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC[NH+]3CCCCC3)cc2)C1 ZINC000410366643 925574755 /nfs/dbraw/zinc/57/47/55/925574755.db2.gz MFSLBZIOGIJPAE-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP CC(C)[NH+](CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000410370051 925587835 /nfs/dbraw/zinc/58/78/35/925587835.db2.gz WZXOBPKREAPCIB-FQEVSTJZSA-N 2 1 388.600 3.979 20 0 GHADMP CC(C)[NH+]1CCN(c2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)cc2)CC1 ZINC000680776347 925603589 /nfs/dbraw/zinc/60/35/89/925603589.db2.gz DVBPHMASZCVWLU-VCSGRIEYSA-N 2 1 395.551 3.607 20 0 GHADMP c1nnc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1C1CC1 ZINC000411399358 926365567 /nfs/dbraw/zinc/36/55/67/926365567.db2.gz LDQSDXWGRKVDDC-NRFANRHFSA-N 2 1 379.552 3.979 20 0 GHADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000387432074 926375510 /nfs/dbraw/zinc/37/55/10/926375510.db2.gz IOJUARZSRXZWLW-GOSISDBHSA-N 2 1 375.557 3.886 20 0 GHADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518829 926485333 /nfs/dbraw/zinc/48/53/33/926485333.db2.gz QKSVRFDCYCQZQP-IRXDYDNUSA-N 2 1 375.582 3.980 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000373934683 926572291 /nfs/dbraw/zinc/57/22/91/926572291.db2.gz QVGOYOZGLGAYNU-UXHICEINSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000373934683 926572299 /nfs/dbraw/zinc/57/22/99/926572299.db2.gz QVGOYOZGLGAYNU-UXHICEINSA-N 2 1 381.524 3.803 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000749571567 927194455 /nfs/dbraw/zinc/19/44/55/927194455.db2.gz KNZYCAROXRPVKQ-NRFANRHFSA-N 2 1 394.563 3.535 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000749571567 927194460 /nfs/dbraw/zinc/19/44/60/927194460.db2.gz KNZYCAROXRPVKQ-NRFANRHFSA-N 2 1 394.563 3.535 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000749571567 927194462 /nfs/dbraw/zinc/19/44/62/927194462.db2.gz KNZYCAROXRPVKQ-NRFANRHFSA-N 2 1 394.563 3.535 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000374905081 927680875 /nfs/dbraw/zinc/68/08/75/927680875.db2.gz VKGVKARAHDYAIX-HXUWFJFHSA-N 2 1 386.584 3.731 20 0 GHADMP C/C(=C\C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000750852288 927895646 /nfs/dbraw/zinc/89/56/46/927895646.db2.gz RCRBITXXNCINMD-FMQUCBEESA-N 2 1 383.580 3.745 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1)CC1CC1 ZINC000544332746 929061619 /nfs/dbraw/zinc/06/16/19/929061619.db2.gz YTSKKEPTFCBQTR-FQEVSTJZSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000467540703 929178797 /nfs/dbraw/zinc/17/87/97/929178797.db2.gz BWPQUSJJMXSERG-CVDCTZTESA-N 2 1 377.532 3.603 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000467540703 929178802 /nfs/dbraw/zinc/17/88/02/929178802.db2.gz BWPQUSJJMXSERG-CVDCTZTESA-N 2 1 377.532 3.603 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C/C=C/c2ccc(F)cc2F)c2cccs2)CC1 ZINC000544613263 929344270 /nfs/dbraw/zinc/34/42/70/929344270.db2.gz ZFQKGMISROTVIQ-NLJSWGTCSA-N 2 1 377.504 3.618 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000753543779 929403031 /nfs/dbraw/zinc/40/30/31/929403031.db2.gz FDURDMOEMJPJET-XLIONFOSSA-N 2 1 399.539 3.701 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000757772791 929795533 /nfs/dbraw/zinc/79/55/33/929795533.db2.gz KXPYGSGZHMYNLE-WMZHIEFXSA-N 2 1 394.563 3.553 20 0 GHADMP COc1cc2c(cc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000546056175 929812536 /nfs/dbraw/zinc/81/25/36/929812536.db2.gz NWLAUTVDJDUGOD-MJGOQNOKSA-N 2 1 382.504 3.814 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469756659 930138778 /nfs/dbraw/zinc/13/87/78/930138778.db2.gz HXVYHAARFHUXGV-PBQROFAYSA-N 2 1 391.559 3.710 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469756659 930138780 /nfs/dbraw/zinc/13/87/80/930138780.db2.gz HXVYHAARFHUXGV-PBQROFAYSA-N 2 1 391.559 3.710 20 0 GHADMP C[C@H](NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000469757720 930139483 /nfs/dbraw/zinc/13/94/83/930139483.db2.gz NPCOIZSNVVNMQR-QRVBRYPASA-N 2 1 397.538 3.749 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000758735487 930153042 /nfs/dbraw/zinc/15/30/42/930153042.db2.gz AUVUXTIXUAYASK-DHIUTWEWSA-N 2 1 398.595 3.776 20 0 GHADMP CC(C)c1nccn1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832137 930189362 /nfs/dbraw/zinc/18/93/62/930189362.db2.gz RVUVFCOMSFUVJO-TZIWHRDSSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832137 930189363 /nfs/dbraw/zinc/18/93/63/930189363.db2.gz RVUVFCOMSFUVJO-TZIWHRDSSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469832137 930189369 /nfs/dbraw/zinc/18/93/69/930189369.db2.gz RVUVFCOMSFUVJO-TZIWHRDSSA-N 2 1 382.552 3.908 20 0 GHADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469861466 930214076 /nfs/dbraw/zinc/21/40/76/930214076.db2.gz XJGCQPKZKLVBRX-URXFXBBRSA-N 2 1 391.559 3.742 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000546747664 930398921 /nfs/dbraw/zinc/39/89/21/930398921.db2.gz YCHKVGMBNSEZGV-SVFBPWRDSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780878219 930624384 /nfs/dbraw/zinc/62/43/84/930624384.db2.gz IVSWTZITSWGFHQ-IOMROCGXSA-N 2 1 387.568 3.790 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000470757998 930888518 /nfs/dbraw/zinc/88/85/18/930888518.db2.gz VEWOQFLEFJDREW-SJBKTWHCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000470757998 930888522 /nfs/dbraw/zinc/88/85/22/930888522.db2.gz VEWOQFLEFJDREW-SJBKTWHCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000470757998 930888527 /nfs/dbraw/zinc/88/85/27/930888527.db2.gz VEWOQFLEFJDREW-SJBKTWHCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(C(F)F)c3)CC2)C[C@@H](C)O1 ZINC000470779441 930906619 /nfs/dbraw/zinc/90/66/19/930906619.db2.gz ADERMMYMWWXUMU-IAGOWNOFSA-N 2 1 382.495 3.714 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920905 931030457 /nfs/dbraw/zinc/03/04/57/931030457.db2.gz BDHZBCYIPBUTBC-CXAGYDPISA-N 2 1 394.346 3.993 20 0 GHADMP Cc1ccc(-c2noc(CCC[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)n2)cc1F ZINC000470973152 931067672 /nfs/dbraw/zinc/06/76/72/931067672.db2.gz CKIKQIFEZIYNBE-GOSISDBHSA-N 2 1 386.515 3.780 20 0 GHADMP Cc1ccc(-c2noc(CCC[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)n2)cc1F ZINC000470973152 931067679 /nfs/dbraw/zinc/06/76/79/931067679.db2.gz CKIKQIFEZIYNBE-GOSISDBHSA-N 2 1 386.515 3.780 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)n2)cc1F ZINC000470973152 931067687 /nfs/dbraw/zinc/06/76/87/931067687.db2.gz CKIKQIFEZIYNBE-GOSISDBHSA-N 2 1 386.515 3.780 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)n2)cc1F ZINC000470973152 931067693 /nfs/dbraw/zinc/06/76/93/931067693.db2.gz CKIKQIFEZIYNBE-GOSISDBHSA-N 2 1 386.515 3.780 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000693678419 931200930 /nfs/dbraw/zinc/20/09/30/931200930.db2.gz MQGVJMOBRJVKBP-IEWDOMPSSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000557114386 931217142 /nfs/dbraw/zinc/21/71/42/931217142.db2.gz NMWVRUJCFMPXQT-NFBKMPQASA-N 2 1 398.595 3.831 20 0 GHADMP CN(CC[N@@H+](C)Cc1cccc(OCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000557455961 931440659 /nfs/dbraw/zinc/44/06/59/931440659.db2.gz DBIFSORUWSXCHI-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCCS2 ZINC000783238268 931471178 /nfs/dbraw/zinc/47/11/78/931471178.db2.gz GHDNKIBWHPKQCT-AZUAARDMSA-N 2 1 376.566 3.855 20 0 GHADMP CCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OC ZINC000924693423 931478032 /nfs/dbraw/zinc/47/80/32/931478032.db2.gz ZDPXOBKRQVYILQ-OHSMVPPVSA-N 2 1 376.541 3.776 20 0 GHADMP COc1ccccc1-c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000557525702 931519358 /nfs/dbraw/zinc/51/93/58/931519358.db2.gz QKFCRMMILUYNJH-UHFFFAOYSA-N 2 1 381.564 3.820 20 0 GHADMP O=C(CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000924832620 931557320 /nfs/dbraw/zinc/55/73/20/931557320.db2.gz LZRHACWMVYHNOZ-SEJPIABJSA-N 2 1 378.520 3.586 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089599 931641347 /nfs/dbraw/zinc/64/13/47/931641347.db2.gz KNRMKTOZLFNJPF-JOQOYGCGSA-N 2 1 381.446 3.568 20 0 GHADMP Cc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)c1 ZINC000783972360 931736130 /nfs/dbraw/zinc/73/61/30/931736130.db2.gz LFZMKGZVRBUAKH-QHCPKHFHSA-N 2 1 383.580 3.856 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C1CCCCC1 ZINC000925906350 931951869 /nfs/dbraw/zinc/95/18/69/931951869.db2.gz OICPHJLGOHCIIN-IAGOWNOFSA-N 2 1 398.473 3.804 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424177 931996492 /nfs/dbraw/zinc/99/64/92/931996492.db2.gz XASSEYFKDOQDED-BXUZGUMPSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424177 931996496 /nfs/dbraw/zinc/99/64/96/931996496.db2.gz XASSEYFKDOQDED-BXUZGUMPSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424177 931996501 /nfs/dbraw/zinc/99/65/01/931996501.db2.gz XASSEYFKDOQDED-BXUZGUMPSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424177 931996506 /nfs/dbraw/zinc/99/65/06/931996506.db2.gz XASSEYFKDOQDED-BXUZGUMPSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926112599 932053024 /nfs/dbraw/zinc/05/30/24/932053024.db2.gz ZRHZTKQSJSVXSG-MAKTXDPSSA-N 2 1 387.568 3.790 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926128030 932057942 /nfs/dbraw/zinc/05/79/42/932057942.db2.gz YAMLEMCJORYEBN-WIYYLYMNSA-N 2 1 385.939 3.859 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926128030 932057947 /nfs/dbraw/zinc/05/79/47/932057947.db2.gz YAMLEMCJORYEBN-WIYYLYMNSA-N 2 1 385.939 3.859 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)[C@H]2C1 ZINC000926437278 932181683 /nfs/dbraw/zinc/18/16/83/932181683.db2.gz UMALYFRFXJNKCZ-FAQFYYNLSA-N 2 1 395.591 3.809 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000926927462 932351734 /nfs/dbraw/zinc/35/17/34/932351734.db2.gz RCKGTOLGLUEZPH-BBWFWOEESA-N 2 1 378.442 3.582 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000926927462 932351742 /nfs/dbraw/zinc/35/17/42/932351742.db2.gz RCKGTOLGLUEZPH-BBWFWOEESA-N 2 1 378.442 3.582 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000559244787 932545791 /nfs/dbraw/zinc/54/57/91/932545791.db2.gz XUEMDHVKWAIPGN-SFHVURJKSA-N 2 1 379.976 3.921 20 0 GHADMP CN(CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC000798271485 932585167 /nfs/dbraw/zinc/58/51/67/932585167.db2.gz SXYNCPAJQBQNNE-UHFFFAOYSA-N 2 1 393.547 3.679 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798483482 932667235 /nfs/dbraw/zinc/66/72/35/932667235.db2.gz FATQUBMKKRZDKF-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000559787863 932857799 /nfs/dbraw/zinc/85/77/99/932857799.db2.gz QGZXETLECFXZOL-GMAHTHKFSA-N 2 1 377.532 3.781 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000559787863 932857805 /nfs/dbraw/zinc/85/78/05/932857805.db2.gz QGZXETLECFXZOL-GMAHTHKFSA-N 2 1 377.532 3.781 20 0 GHADMP C[C@@H](OC[C@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178693 932898859 /nfs/dbraw/zinc/89/88/59/932898859.db2.gz DDOONTXFWKZTAM-YLJYHZDGSA-N 2 1 380.960 3.586 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178469 932900473 /nfs/dbraw/zinc/90/04/73/932900473.db2.gz TWKCIHXGDNJQTG-INIZCTEOSA-N 2 1 397.519 3.770 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178469 932900482 /nfs/dbraw/zinc/90/04/82/932900482.db2.gz TWKCIHXGDNJQTG-INIZCTEOSA-N 2 1 397.519 3.770 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000559849955 932909908 /nfs/dbraw/zinc/90/99/08/932909908.db2.gz XIFWWECGHRBEEW-DHIUTWEWSA-N 2 1 377.532 3.848 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531001 933315005 /nfs/dbraw/zinc/31/50/05/933315005.db2.gz VYJGSRFODIGAHU-CMPZQBNXSA-N 2 1 385.533 3.813 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)CC1 ZINC000560611136 933385873 /nfs/dbraw/zinc/38/58/73/933385873.db2.gz GEIBZTBUPWKKMF-HSZRJFAPSA-N 2 1 383.580 3.610 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001116288460 933459005 /nfs/dbraw/zinc/45/90/05/933459005.db2.gz DVTGXVQJERARTH-QHCPKHFHSA-N 2 1 379.548 3.746 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000561270179 934005441 /nfs/dbraw/zinc/00/54/41/934005441.db2.gz QQVJTJUKWWIUQD-AUSIDOKSSA-N 2 1 379.548 3.574 20 0 GHADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC001118057717 934083954 /nfs/dbraw/zinc/08/39/54/934083954.db2.gz GPPANYFUKQDNNX-KGLIPLIRSA-N 2 1 377.554 3.708 20 0 GHADMP Brc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc2c1OCCCO2 ZINC001118180240 934102241 /nfs/dbraw/zinc/10/22/41/934102241.db2.gz FUMRVAFZAORNMV-UHFFFAOYSA-N 2 1 395.341 3.576 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C(F)(F)F ZINC001119943400 934422374 /nfs/dbraw/zinc/42/23/74/934422374.db2.gz PBJMRJMXWWDQHA-MWDXBVQZSA-N 2 1 378.479 3.607 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2ccnn2)c1 ZINC000562024638 934641353 /nfs/dbraw/zinc/64/13/53/934641353.db2.gz LVZXHDNOVXOYTD-ROUUACIJSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2ccnn2)c1 ZINC000562024638 934641358 /nfs/dbraw/zinc/64/13/58/934641358.db2.gz LVZXHDNOVXOYTD-ROUUACIJSA-N 2 1 381.549 3.892 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ncoc2C2CC[NH2+]CC2)c1 ZINC001121908847 934787584 /nfs/dbraw/zinc/78/75/84/934787584.db2.gz FMWFCDJOIBSUCE-UHFFFAOYSA-N 2 1 393.491 3.762 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2coc([C@@H]3CCC[NH2+]3)n2)c1 ZINC001121990434 934799391 /nfs/dbraw/zinc/79/93/91/934799391.db2.gz DOUMZRORHINIIZ-KRWDZBQOSA-N 2 1 379.464 3.720 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000562323295 934822520 /nfs/dbraw/zinc/82/25/20/934822520.db2.gz HFAISNLRCMBCFX-QHCPKHFHSA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cc3ccccc3s2)CC1 ZINC001137682905 935709007 /nfs/dbraw/zinc/70/90/07/935709007.db2.gz VICZEEHPPHTTLC-NHCUHLMSSA-N 2 1 397.588 3.808 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001137786164 935789316 /nfs/dbraw/zinc/78/93/16/935789316.db2.gz IMWDOBYDDVKEIS-UHFFFAOYSA-N 2 1 393.531 3.745 20 0 GHADMP CCC[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC[N@@H+]1Cc1ccccc1 ZINC001137819543 935806925 /nfs/dbraw/zinc/80/69/25/935806925.db2.gz XKGFIZGGGPAVLB-FPOVZHCZSA-N 2 1 382.552 3.910 20 0 GHADMP CCC[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC[N@H+]1Cc1ccccc1 ZINC001137819543 935806928 /nfs/dbraw/zinc/80/69/28/935806928.db2.gz XKGFIZGGGPAVLB-FPOVZHCZSA-N 2 1 382.552 3.910 20 0 GHADMP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(Cl)n1 ZINC000829597863 935832671 /nfs/dbraw/zinc/83/26/71/935832671.db2.gz BOYJLQVPKFERAI-ZHALLVOQSA-N 2 1 392.975 3.546 20 0 GHADMP Clc1nc2ccccc2cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001137974895 935900089 /nfs/dbraw/zinc/90/00/89/935900089.db2.gz FMXMGOPVVJJPLI-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)cc2)C[C@H](C)O1 ZINC000830149937 935906947 /nfs/dbraw/zinc/90/69/47/935906947.db2.gz CSSZJGVVXDPOQP-KDURUIRLSA-N 2 1 382.548 3.813 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468028205 1015164425 /nfs/dbraw/zinc/16/44/25/1015164425.db2.gz VTPTYWAIEAFSCQ-YVNJGZBMSA-N 2 1 388.600 3.876 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3C[C@@H](C)CN(Cc4ccccc4)C3)CCCC2)CC1 ZINC000468553632 1015799878 /nfs/dbraw/zinc/79/98/78/1015799878.db2.gz KUJJCGZSHOOISU-GGAORHGYSA-N 2 1 399.623 3.910 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC1CCC2(CCCCC2)CC1 ZINC000468867236 1016138196 /nfs/dbraw/zinc/13/81/96/1016138196.db2.gz GDBYFXOZZKXHMU-UHFFFAOYSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[NH+](CC)CC ZINC000468952156 1016264324 /nfs/dbraw/zinc/26/43/24/1016264324.db2.gz KGRXKKQPPXKYKZ-OAQYLSRUSA-N 2 1 398.551 3.543 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC001221405911 1032401110 /nfs/dbraw/zinc/40/11/10/1032401110.db2.gz CSEIOXYIYWTCRT-VJBMBRPKSA-N 2 1 393.575 3.771 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221472545 1032429601 /nfs/dbraw/zinc/42/96/01/1032429601.db2.gz NZQQVVFHQUEGHL-BRGVPRLLSA-N 2 1 384.568 3.528 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccco1 ZINC001221547750 1032457990 /nfs/dbraw/zinc/45/79/90/1032457990.db2.gz SITAUIJLMUDLAJ-PMACEKPBSA-N 2 1 390.572 3.759 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4c(n3)CCCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357760 1032516188 /nfs/dbraw/zinc/51/61/88/1032516188.db2.gz JQKAHNPZQPAHJO-QFIPXVFZSA-N 2 1 390.575 3.874 20 0 GHADMP c1ccc(C[N@H+]2C[C@H](CNc3ccc4c([nH+]3)CCCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357760 1032516195 /nfs/dbraw/zinc/51/61/95/1032516195.db2.gz JQKAHNPZQPAHJO-QFIPXVFZSA-N 3 1 390.575 3.874 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4c([nH+]3)CCCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357760 1032516197 /nfs/dbraw/zinc/51/61/97/1032516197.db2.gz JQKAHNPZQPAHJO-QFIPXVFZSA-N 3 1 390.575 3.874 20 0 GHADMP CC(C)c1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncn1 ZINC001155358608 1032516871 /nfs/dbraw/zinc/51/68/71/1032516871.db2.gz UAJWFEYKDBMBPQ-HXUWFJFHSA-N 2 1 379.552 3.514 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ncc4ccccc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155358054 1032517275 /nfs/dbraw/zinc/51/72/75/1032517275.db2.gz NLIUSYSPVIWXPI-OAQYLSRUSA-N 2 1 387.531 3.544 20 0 GHADMP CCSc1cncc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155360780 1032518109 /nfs/dbraw/zinc/51/81/09/1032518109.db2.gz CQBVFLSAQKDLQV-IBGZPJMESA-N 2 1 397.592 3.502 20 0 GHADMP Cc1sc2ncnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c2c1-c1ccccc1 ZINC001155382898 1032526592 /nfs/dbraw/zinc/52/65/92/1032526592.db2.gz QAYSZYQFXNBHMV-GOSISDBHSA-N 2 1 393.560 3.526 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643688 1032619416 /nfs/dbraw/zinc/61/94/16/1032619416.db2.gz SGHOWRUAAYWGHT-RBBKRZOGSA-N 2 1 399.966 3.971 20 0 GHADMP CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204270098 1032712904 /nfs/dbraw/zinc/71/29/04/1032712904.db2.gz PFVSVNJCGDDHIG-IBGZPJMESA-N 2 1 386.540 3.732 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000562751905 1018603089 /nfs/dbraw/zinc/60/30/89/1018603089.db2.gz VPLXZWIHWSGKOJ-RTBURBONSA-N 2 1 375.513 3.668 20 0 GHADMP C(C[NH+]1CCC[C@@H](C2CCOCC2)C1)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080420 1018839578 /nfs/dbraw/zinc/83/95/78/1018839578.db2.gz DKSHLBAAWSNPJW-DHIUTWEWSA-N 2 1 378.601 3.654 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159639 1019170415 /nfs/dbraw/zinc/17/04/15/1019170415.db2.gz ACSMWLDTUAIZON-IFMALSPDSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159639 1019170423 /nfs/dbraw/zinc/17/04/23/1019170423.db2.gz ACSMWLDTUAIZON-IFMALSPDSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159639 1019170427 /nfs/dbraw/zinc/17/04/27/1019170427.db2.gz ACSMWLDTUAIZON-IFMALSPDSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159639 1019170430 /nfs/dbraw/zinc/17/04/30/1019170430.db2.gz ACSMWLDTUAIZON-IFMALSPDSA-N 2 1 399.604 3.716 20 0 GHADMP CC[C@H](C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000570369921 1019592738 /nfs/dbraw/zinc/59/27/38/1019592738.db2.gz BVXOFASYIZVVIL-RBBKRZOGSA-N 2 1 394.563 3.754 20 0 GHADMP CCOc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156919544 1019773611 /nfs/dbraw/zinc/77/36/11/1019773611.db2.gz UEEMDXRCBWPXBK-AVRDEDQJSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3cc(Br)ccc3o2)CCCO1 ZINC000576768692 1020061281 /nfs/dbraw/zinc/06/12/81/1020061281.db2.gz YLSKITQMCQSHCE-AWEZNQCLSA-N 2 1 381.314 3.786 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3cc(Br)ccc3o2)CCCO1 ZINC000576768692 1020061298 /nfs/dbraw/zinc/06/12/98/1020061298.db2.gz YLSKITQMCQSHCE-AWEZNQCLSA-N 2 1 381.314 3.786 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccccc3N3CCOCC3)CC23CC3)cc1 ZINC000577492166 1020210187 /nfs/dbraw/zinc/21/01/87/1020210187.db2.gz GPUYDGKAICMOGG-QHCPKHFHSA-N 2 1 391.559 3.810 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccccc3N3CCOCC3)CC23CC3)cc1 ZINC000577492166 1020210193 /nfs/dbraw/zinc/21/01/93/1020210193.db2.gz GPUYDGKAICMOGG-QHCPKHFHSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579275435 1020400313 /nfs/dbraw/zinc/40/03/13/1020400313.db2.gz XINXAMQXIATQDR-SDUSCBPUSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000579275435 1020400315 /nfs/dbraw/zinc/40/03/15/1020400315.db2.gz XINXAMQXIATQDR-SDUSCBPUSA-N 2 1 393.575 3.703 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000191473890 1020769724 /nfs/dbraw/zinc/76/97/24/1020769724.db2.gz KLYQJJPZLIIEHK-KRWDZBQOSA-N 2 1 380.330 3.654 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000191473890 1020769730 /nfs/dbraw/zinc/76/97/30/1020769730.db2.gz KLYQJJPZLIIEHK-KRWDZBQOSA-N 2 1 380.330 3.654 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439871 1020791299 /nfs/dbraw/zinc/79/12/99/1020791299.db2.gz YVVNJWSKWYBOAE-STAYPELNSA-N 2 1 376.544 3.996 20 0 GHADMP COc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000631619037 1020895390 /nfs/dbraw/zinc/89/53/90/1020895390.db2.gz XZHHEMHDSLBPDM-RBBKRZOGSA-N 2 1 396.531 3.655 20 0 GHADMP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633154992 1020922890 /nfs/dbraw/zinc/92/28/90/1020922890.db2.gz FVLFYKVBCYNYSS-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3cccc(CN4CC[NH+](C)CC4)c3)c2C1 ZINC001204518068 1032944637 /nfs/dbraw/zinc/94/46/37/1032944637.db2.gz ODXSORWXWOBINC-UHFFFAOYSA-N 2 1 399.608 3.589 20 0 GHADMP CCC[N@@H+]1CCc2c(N)sc(Nc3cccc(C[NH+]4CCN(C)CC4)c3)c2C1 ZINC001204518068 1032944642 /nfs/dbraw/zinc/94/46/42/1032944642.db2.gz ODXSORWXWOBINC-UHFFFAOYSA-N 2 1 399.608 3.589 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3cccc(C[NH+]4CCN(C)CC4)c3)c2C1 ZINC001204518068 1032944644 /nfs/dbraw/zinc/94/46/44/1032944644.db2.gz ODXSORWXWOBINC-UHFFFAOYSA-N 2 1 399.608 3.589 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638678440 1021051943 /nfs/dbraw/zinc/05/19/43/1021051943.db2.gz BIPWQMLVFOEYCN-JTHBVZDNSA-N 2 1 377.532 3.546 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638678440 1021051947 /nfs/dbraw/zinc/05/19/47/1021051947.db2.gz BIPWQMLVFOEYCN-JTHBVZDNSA-N 2 1 377.532 3.546 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c2ccccc2)[nH]1 ZINC000639236845 1021067390 /nfs/dbraw/zinc/06/73/90/1021067390.db2.gz YDYUPSLDYQRGMD-AKIFATBCSA-N 2 1 387.531 3.894 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c2ccccc2)[nH]1 ZINC000639236845 1021067398 /nfs/dbraw/zinc/06/73/98/1021067398.db2.gz YDYUPSLDYQRGMD-AKIFATBCSA-N 2 1 387.531 3.894 20 0 GHADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000647814485 1021150425 /nfs/dbraw/zinc/15/04/25/1021150425.db2.gz PZYDMJPXMDAERQ-JOCHJYFZSA-N 2 1 383.561 3.560 20 0 GHADMP c1cn(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)cn2)cn1 ZINC000834501693 1021228068 /nfs/dbraw/zinc/22/80/68/1021228068.db2.gz HPXLZQRCSMOFAF-VABKMULXSA-N 2 1 387.531 3.800 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1csc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001140313216 1021378110 /nfs/dbraw/zinc/37/81/10/1021378110.db2.gz OOSVJMYFLPBGRV-UHFFFAOYSA-N 2 1 380.558 3.798 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cn1 ZINC001140321584 1021393576 /nfs/dbraw/zinc/39/35/76/1021393576.db2.gz CBZOIHNAXZJABQ-UHFFFAOYSA-N 2 1 377.536 3.566 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cn1 ZINC001140321584 1021393595 /nfs/dbraw/zinc/39/35/95/1021393595.db2.gz CBZOIHNAXZJABQ-UHFFFAOYSA-N 2 1 377.536 3.566 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4nc(N5CCCCC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001156318206 1032982173 /nfs/dbraw/zinc/98/21/73/1032982173.db2.gz QGEVFXWDIZDQSZ-HBMCJLEFSA-N 2 1 377.536 3.789 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4nc(N5CCCCC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001156318206 1032982180 /nfs/dbraw/zinc/98/21/80/1032982180.db2.gz QGEVFXWDIZDQSZ-HBMCJLEFSA-N 2 1 377.536 3.789 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5n[nH]cc5c4)CC3)C2)cc1 ZINC001140383147 1021535706 /nfs/dbraw/zinc/53/57/06/1021535706.db2.gz BYTCAMCYBGTALK-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC001204593398 1032988177 /nfs/dbraw/zinc/98/81/77/1032988177.db2.gz QWZJWGZHXHSNOV-VQIMIIECSA-N 2 1 383.374 3.985 20 0 GHADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000678771229 1021924558 /nfs/dbraw/zinc/92/45/58/1021924558.db2.gz LQTGUJKNFXOZJK-RVSNTGDXSA-N 2 1 391.559 3.797 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001140577960 1021997544 /nfs/dbraw/zinc/99/75/44/1021997544.db2.gz SVFGKIQADJEDAF-JOCHJYFZSA-N 2 1 380.532 3.956 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(O)c(C)c1)CC2 ZINC001140577979 1021997612 /nfs/dbraw/zinc/99/76/12/1021997612.db2.gz TXRJUVCUQMIRNI-JOCHJYFZSA-N 2 1 395.547 3.599 20 0 GHADMP Fc1cnc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001140609963 1022069316 /nfs/dbraw/zinc/06/93/16/1022069316.db2.gz UMEKIDZNKWNZSH-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)nc1F)CC2 ZINC001137472649 1022333414 /nfs/dbraw/zinc/33/34/14/1022333414.db2.gz IBWOQTHUXMQMHM-MRXNPFEDSA-N 2 1 393.890 3.723 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140775044 1022495415 /nfs/dbraw/zinc/49/54/15/1022495415.db2.gz FSPQKRGNCPZGEP-UXHICEINSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(O)cc(OC)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140775044 1022495422 /nfs/dbraw/zinc/49/54/22/1022495422.db2.gz FSPQKRGNCPZGEP-UXHICEINSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(O)cc(OC)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140775044 1022495431 /nfs/dbraw/zinc/49/54/31/1022495431.db2.gz FSPQKRGNCPZGEP-UXHICEINSA-N 2 1 396.531 3.753 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204757215 1033071340 /nfs/dbraw/zinc/07/13/40/1033071340.db2.gz WQLCXPXKJWSZCI-BZSNNMDCSA-N 2 1 379.495 3.587 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204757215 1033071355 /nfs/dbraw/zinc/07/13/55/1033071355.db2.gz WQLCXPXKJWSZCI-BZSNNMDCSA-N 2 1 379.495 3.587 20 0 GHADMP C[C@H]1CN(C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001140896734 1022825919 /nfs/dbraw/zinc/82/59/19/1022825919.db2.gz YTOZWIXBVZUYNN-GCJKJVERSA-N 2 1 399.966 3.923 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001140993070 1023115833 /nfs/dbraw/zinc/11/58/33/1023115833.db2.gz FJOMTCMWXIEDRL-UHFFFAOYSA-N 2 1 387.474 3.942 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)c(O)c(F)c1)CC2 ZINC001140993070 1023115836 /nfs/dbraw/zinc/11/58/36/1023115836.db2.gz FJOMTCMWXIEDRL-UHFFFAOYSA-N 2 1 387.474 3.942 20 0 GHADMP c1cc(-c2ccccn2)sc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001141000223 1023137707 /nfs/dbraw/zinc/13/77/07/1023137707.db2.gz WRAUEYMUHKSIEA-UHFFFAOYSA-N 2 1 393.560 3.661 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N[C@H]3CC[N@H+](C)C3)n2)CCC4)CC1 ZINC001156580393 1033113138 /nfs/dbraw/zinc/11/31/38/1033113138.db2.gz AUTUTGUAOFBJHT-HNNXBMFYSA-N 2 1 385.581 3.528 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N[C@H]3CC[N@@H+](C)C3)n2)CCC4)CC1 ZINC001156580393 1033113145 /nfs/dbraw/zinc/11/31/45/1033113145.db2.gz AUTUTGUAOFBJHT-HNNXBMFYSA-N 2 1 385.581 3.528 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3c(=S)n(-c4ccccc4)nc3C3CC3)C2)CC1 ZINC000755777377 1023372584 /nfs/dbraw/zinc/37/25/84/1023372584.db2.gz FJOXSWCSDWUKOU-LJQANCHMSA-N 2 1 397.592 3.902 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3ccnc3c1)CC2 ZINC001141043618 1023373543 /nfs/dbraw/zinc/37/35/43/1023373543.db2.gz DZUKBZOSFHKTDY-QFIPXVFZSA-N 2 1 390.531 3.590 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3ccnc3c1)CC2 ZINC001141043617 1023373794 /nfs/dbraw/zinc/37/37/94/1023373794.db2.gz DZUKBZOSFHKTDY-JOCHJYFZSA-N 2 1 390.531 3.590 20 0 GHADMP CCCCc1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c[nH]1 ZINC001141070749 1023424137 /nfs/dbraw/zinc/42/41/37/1023424137.db2.gz NJQBVBJNIXNEAK-UHFFFAOYSA-N 2 1 382.552 3.619 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756093944 1023519666 /nfs/dbraw/zinc/51/96/66/1023519666.db2.gz HHZRNLAXOOAFEP-IAGOWNOFSA-N 2 1 376.545 3.886 20 0 GHADMP CCc1ccccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001141224885 1024196261 /nfs/dbraw/zinc/19/62/61/1024196261.db2.gz PWWGAHRPJSPPFP-QHCPKHFHSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831021886 1024312902 /nfs/dbraw/zinc/31/29/02/1024312902.db2.gz MSUKFTMYVQQLJG-GOSISDBHSA-N 2 1 376.545 3.884 20 0 GHADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(Oc4ccc(F)cc4)cc3)CC2)CC1 ZINC001141316316 1024520536 /nfs/dbraw/zinc/52/05/36/1024520536.db2.gz GVWOMWBANUAMDX-UHFFFAOYSA-N 2 1 383.511 3.830 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3nccnc13)CC2 ZINC001138301264 1024591300 /nfs/dbraw/zinc/59/13/00/1024591300.db2.gz IFYFLMSFOXNFTB-UHFFFAOYSA-N 2 1 387.531 3.901 20 0 GHADMP CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000837688512 1024634786 /nfs/dbraw/zinc/63/47/86/1024634786.db2.gz FXGAJULMRLVMGZ-HNNXBMFYSA-N 2 1 378.423 3.625 20 0 GHADMP CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000837688512 1024634791 /nfs/dbraw/zinc/63/47/91/1024634791.db2.gz FXGAJULMRLVMGZ-HNNXBMFYSA-N 2 1 378.423 3.625 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001138371834 1024735939 /nfs/dbraw/zinc/73/59/39/1024735939.db2.gz XCGWFJHXRKTJDV-IBGZPJMESA-N 2 1 388.483 3.683 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001138549220 1024995461 /nfs/dbraw/zinc/99/54/61/1024995461.db2.gz RSGGOTDQFSJXBM-PKTZIBPZSA-N 2 1 388.515 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)cc1 ZINC001138549220 1024995467 /nfs/dbraw/zinc/99/54/67/1024995467.db2.gz RSGGOTDQFSJXBM-PKTZIBPZSA-N 2 1 388.515 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001138548850 1024995741 /nfs/dbraw/zinc/99/57/41/1024995741.db2.gz IDWWYHUXLDJLBK-SFHVURJKSA-N 2 1 392.551 3.794 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001138548850 1024995742 /nfs/dbraw/zinc/99/57/42/1024995742.db2.gz IDWWYHUXLDJLBK-SFHVURJKSA-N 2 1 392.551 3.794 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138548632 1024995797 /nfs/dbraw/zinc/99/57/97/1024995797.db2.gz GDXUAKBDHCIJFM-LADGPHEKSA-N 2 1 394.563 3.504 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001138548632 1024995806 /nfs/dbraw/zinc/99/58/06/1024995806.db2.gz GDXUAKBDHCIJFM-LADGPHEKSA-N 2 1 394.563 3.504 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)cc1 ZINC001138549405 1024996334 /nfs/dbraw/zinc/99/63/34/1024996334.db2.gz OOKKEYJEJPBKKN-JOCHJYFZSA-N 2 1 392.528 3.871 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)cc1 ZINC001138549405 1024996336 /nfs/dbraw/zinc/99/63/36/1024996336.db2.gz OOKKEYJEJPBKKN-JOCHJYFZSA-N 2 1 392.528 3.871 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cc1 ZINC001138549889 1024997593 /nfs/dbraw/zinc/99/75/93/1024997593.db2.gz WGDAKTOIHTVZFA-CTNGQTDRSA-N 2 1 390.487 3.510 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)cc1 ZINC001138549889 1024997594 /nfs/dbraw/zinc/99/75/94/1024997594.db2.gz WGDAKTOIHTVZFA-CTNGQTDRSA-N 2 1 390.487 3.510 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ccc(F)cc1 ZINC001138550120 1024998502 /nfs/dbraw/zinc/99/85/02/1024998502.db2.gz JSWFBYXAXLGULQ-YADHBBJMSA-N 2 1 393.462 3.708 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ccc(F)cc1 ZINC001138550120 1024998503 /nfs/dbraw/zinc/99/85/03/1024998503.db2.gz JSWFBYXAXLGULQ-YADHBBJMSA-N 2 1 393.462 3.708 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)nc1 ZINC001138552047 1025006305 /nfs/dbraw/zinc/00/63/05/1025006305.db2.gz WUVAYSOGMAHSBK-OAQYLSRUSA-N 2 1 378.476 3.628 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)nc1 ZINC001138552047 1025006312 /nfs/dbraw/zinc/00/63/12/1025006312.db2.gz WUVAYSOGMAHSBK-OAQYLSRUSA-N 2 1 378.476 3.628 20 0 GHADMP FC(F)(F)c1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001141471019 1025152162 /nfs/dbraw/zinc/15/21/62/1025152162.db2.gz XTNWKUSEIHVCCX-OALUTQOASA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001141471019 1025152166 /nfs/dbraw/zinc/15/21/66/1025152166.db2.gz XTNWKUSEIHVCCX-OALUTQOASA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001141471019 1025152172 /nfs/dbraw/zinc/15/21/72/1025152172.db2.gz XTNWKUSEIHVCCX-OALUTQOASA-N 2 1 390.453 3.839 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)[nH]c5ccccc54)C[C@@H]3C2)cn1 ZINC001138684348 1025210035 /nfs/dbraw/zinc/21/00/35/1025210035.db2.gz XKYAZRGKOCESTJ-SJORKVTESA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)[nH]c5ccccc54)C[C@@H]3C2)cn1 ZINC001138684348 1025210047 /nfs/dbraw/zinc/21/00/47/1025210047.db2.gz XKYAZRGKOCESTJ-SJORKVTESA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(Cl)[nH]c5ccccc54)C[C@@H]3C2)cn1 ZINC001138684348 1025210058 /nfs/dbraw/zinc/21/00/58/1025210058.db2.gz XKYAZRGKOCESTJ-SJORKVTESA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(Cl)[nH]c5ccccc54)C[C@@H]3C2)cn1 ZINC001138684348 1025210066 /nfs/dbraw/zinc/21/00/66/1025210066.db2.gz XKYAZRGKOCESTJ-SJORKVTESA-N 2 1 383.927 3.509 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC001138723467 1025249764 /nfs/dbraw/zinc/24/97/64/1025249764.db2.gz CYJPLLHAOFMZSL-QPPBQGQZSA-N 2 1 386.580 3.801 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC001138723467 1025249776 /nfs/dbraw/zinc/24/97/76/1025249776.db2.gz CYJPLLHAOFMZSL-QPPBQGQZSA-N 2 1 386.580 3.801 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC001138723467 1025249786 /nfs/dbraw/zinc/24/97/86/1025249786.db2.gz CYJPLLHAOFMZSL-QPPBQGQZSA-N 2 1 386.580 3.801 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nn1 ZINC001141505679 1025314198 /nfs/dbraw/zinc/31/41/98/1025314198.db2.gz WWUPRGQPXGTWCA-MSOLQXFVSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nn1 ZINC001141505679 1025314211 /nfs/dbraw/zinc/31/42/11/1025314211.db2.gz WWUPRGQPXGTWCA-MSOLQXFVSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nn1 ZINC001141505679 1025314219 /nfs/dbraw/zinc/31/42/19/1025314219.db2.gz WWUPRGQPXGTWCA-MSOLQXFVSA-N 2 1 390.453 3.839 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CC[C@]3(CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001138771803 1025339878 /nfs/dbraw/zinc/33/98/78/1025339878.db2.gz DVZQMIURYCTHBT-RUZDIDTESA-N 2 1 393.575 3.868 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)cc1 ZINC001138771803 1025339892 /nfs/dbraw/zinc/33/98/92/1025339892.db2.gz DVZQMIURYCTHBT-RUZDIDTESA-N 2 1 393.575 3.868 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)cc1 ZINC001138771803 1025339906 /nfs/dbraw/zinc/33/99/06/1025339906.db2.gz DVZQMIURYCTHBT-RUZDIDTESA-N 2 1 393.575 3.868 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001138772383 1025341967 /nfs/dbraw/zinc/34/19/67/1025341967.db2.gz JBIHEJYMPZYGLW-LJQANCHMSA-N 2 1 376.447 3.559 20 0 GHADMP C[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000839011021 1025517369 /nfs/dbraw/zinc/51/73/69/1025517369.db2.gz LKYZYOJPQKYVLJ-DLBZAZTESA-N 2 1 377.573 3.629 20 0 GHADMP Cc1nc(NC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)cc(N(C)C)[nH+]1 ZINC001162050255 1025565227 /nfs/dbraw/zinc/56/52/27/1025565227.db2.gz XKTCJJAYXAIJRK-UHFFFAOYSA-N 2 1 393.457 3.647 20 0 GHADMP Clc1c2cc[nH]c2ncc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001138931418 1025602110 /nfs/dbraw/zinc/60/21/10/1025602110.db2.gz BDOLCAFDCGVTSA-AEFFLSMTSA-N 2 1 381.911 3.517 20 0 GHADMP Clc1c2cc[nH]c2ncc1CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001138931418 1025602116 /nfs/dbraw/zinc/60/21/16/1025602116.db2.gz BDOLCAFDCGVTSA-AEFFLSMTSA-N 2 1 381.911 3.517 20 0 GHADMP Clc1c2cc[nH]c2ncc1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001138931418 1025602121 /nfs/dbraw/zinc/60/21/21/1025602121.db2.gz BDOLCAFDCGVTSA-AEFFLSMTSA-N 2 1 381.911 3.517 20 0 GHADMP CCC[C@H]1CCCC[N@H+]1Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141573317 1025617683 /nfs/dbraw/zinc/61/76/83/1025617683.db2.gz UXCWOJRFAUQMSC-IBGZPJMESA-N 2 1 376.589 3.858 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](Cc2ccccc2)C2CC2)c1C ZINC001141575122 1025638902 /nfs/dbraw/zinc/63/89/02/1025638902.db2.gz PRJYJQAQYAHFAZ-UHFFFAOYSA-N 2 1 396.579 3.868 20 0 GHADMP CC(C)COc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001138969425 1025684387 /nfs/dbraw/zinc/68/43/87/1025684387.db2.gz PSPCIDVYSRPWSW-UHFFFAOYSA-N 2 1 396.579 3.962 20 0 GHADMP Cc1c(Cl)ccnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162930309 1025971124 /nfs/dbraw/zinc/97/11/24/1025971124.db2.gz YQFLMVDQYYHOFF-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP [NH3+][C@@H]1CCc2c1cccc2NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940453 1025977567 /nfs/dbraw/zinc/97/75/67/1025977567.db2.gz DVBVZRMJPDPKJT-NZQKXSOJSA-N 3 1 390.575 3.546 20 0 GHADMP [NH3+][C@H]1CCc2c1cccc2NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940455 1025977935 /nfs/dbraw/zinc/97/79/35/1025977935.db2.gz DVBVZRMJPDPKJT-REWPJTCUSA-N 3 1 390.575 3.546 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000839608815 1026108836 /nfs/dbraw/zinc/10/88/36/1026108836.db2.gz XEMNNVUMCZTTNF-LJQANCHMSA-N 2 1 397.485 3.563 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@@H]2C1 ZINC001139301950 1026154773 /nfs/dbraw/zinc/15/47/73/1026154773.db2.gz KCXLNKHJSQHBLV-CVEARBPZSA-N 2 1 377.941 3.759 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001139423341 1026293603 /nfs/dbraw/zinc/29/36/03/1026293603.db2.gz DFYIHBOXNFTUIN-FCHUYYIVSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001139423341 1026293614 /nfs/dbraw/zinc/29/36/14/1026293614.db2.gz DFYIHBOXNFTUIN-FCHUYYIVSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001139423341 1026293627 /nfs/dbraw/zinc/29/36/27/1026293627.db2.gz DFYIHBOXNFTUIN-FCHUYYIVSA-N 2 1 387.531 3.611 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@H]4OCC[C@H]4C3)CC2)cc1 ZINC001139513422 1026368450 /nfs/dbraw/zinc/36/84/50/1026368450.db2.gz SVGKTBBPEXOTQJ-UKILVPOCSA-N 2 1 391.559 3.620 20 0 GHADMP C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139513803 1026369625 /nfs/dbraw/zinc/36/96/25/1026369625.db2.gz CBHBCZDRWRPXLN-RUZDIDTESA-N 2 1 393.575 3.746 20 0 GHADMP C[C@@]1(O)CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139515511 1026372152 /nfs/dbraw/zinc/37/21/52/1026372152.db2.gz PTEAGYLSASNQSH-RUZDIDTESA-N 2 1 393.575 3.746 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001139710650 1026555039 /nfs/dbraw/zinc/55/50/39/1026555039.db2.gz VXPHAJXCRPTEGW-UHFFFAOYSA-N 2 1 386.561 3.938 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001139710650 1026555043 /nfs/dbraw/zinc/55/50/43/1026555043.db2.gz VXPHAJXCRPTEGW-UHFFFAOYSA-N 2 1 386.561 3.938 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc5cccnc5c4)CC3)C2)c1 ZINC001139738334 1026578358 /nfs/dbraw/zinc/57/83/58/1026578358.db2.gz AYDOAFPDHKVHHP-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cnc3cccnc3c1)C2 ZINC001139741297 1026581525 /nfs/dbraw/zinc/58/15/25/1026581525.db2.gz JTSGYUUAGSCISS-UHFFFAOYSA-N 2 1 399.498 3.808 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cnc3cccnc3c1)C2 ZINC001139741297 1026581536 /nfs/dbraw/zinc/58/15/36/1026581536.db2.gz JTSGYUUAGSCISS-UHFFFAOYSA-N 2 1 399.498 3.808 20 0 GHADMP Cc1cnc(CN2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)s1 ZINC001139809498 1026633710 /nfs/dbraw/zinc/63/37/10/1026633710.db2.gz YJCVKNIPSUWQHN-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1cnc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)s1 ZINC001139809498 1026633726 /nfs/dbraw/zinc/63/37/26/1026633726.db2.gz YJCVKNIPSUWQHN-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP Fc1cc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)ccn1 ZINC001139835028 1026654479 /nfs/dbraw/zinc/65/44/79/1026654479.db2.gz HYLHAFAYEYDQPX-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP COc1ccc(CN(c2ccc(C[N@@H+](C)C3CC3)cn2)C2CCC([NH3+])CC2)cc1 ZINC001165197199 1026658837 /nfs/dbraw/zinc/65/88/37/1026658837.db2.gz AYABYDDNLWFEFM-UHFFFAOYSA-N 2 1 394.563 3.961 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1Cl)CC2 ZINC001139848520 1026667028 /nfs/dbraw/zinc/66/70/28/1026667028.db2.gz KAZFXPQITMDCME-KRWDZBQOSA-N 2 1 375.900 3.584 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc1 ZINC001165213342 1026669702 /nfs/dbraw/zinc/66/97/02/1026669702.db2.gz WKMBGUVIQJGGQJ-JOCHJYFZSA-N 2 1 381.520 3.672 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001165247758 1026678933 /nfs/dbraw/zinc/67/89/33/1026678933.db2.gz YFRYAZRKZZEFLY-UHFFFAOYSA-N 2 1 379.483 3.731 20 0 GHADMP Cn1ncc2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001139909010 1026721901 /nfs/dbraw/zinc/72/19/01/1026721901.db2.gz MAVBDQIQHZPJIX-MDNUFGMLSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001139909010 1026721904 /nfs/dbraw/zinc/72/19/04/1026721904.db2.gz MAVBDQIQHZPJIX-MDNUFGMLSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001139909010 1026721914 /nfs/dbraw/zinc/72/19/14/1026721914.db2.gz MAVBDQIQHZPJIX-MDNUFGMLSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001139909010 1026721920 /nfs/dbraw/zinc/72/19/20/1026721920.db2.gz MAVBDQIQHZPJIX-MDNUFGMLSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3ccccn3)cc21 ZINC001139909009 1026721983 /nfs/dbraw/zinc/72/19/83/1026721983.db2.gz MAVBDQIQHZPJIX-AKIFATBCSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3ccccn3)cc21 ZINC001139909009 1026721990 /nfs/dbraw/zinc/72/19/90/1026721990.db2.gz MAVBDQIQHZPJIX-AKIFATBCSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@H+](C)Cc3ccccn3)cc21 ZINC001139909009 1026721996 /nfs/dbraw/zinc/72/19/96/1026721996.db2.gz MAVBDQIQHZPJIX-AKIFATBCSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@@H+](C)Cc3ccccn3)cc21 ZINC001139909009 1026722007 /nfs/dbraw/zinc/72/20/07/1026722007.db2.gz MAVBDQIQHZPJIX-AKIFATBCSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001139951891 1026756842 /nfs/dbraw/zinc/75/68/42/1026756842.db2.gz RUUGGAUIDUXEJA-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001139951891 1026756853 /nfs/dbraw/zinc/75/68/53/1026756853.db2.gz RUUGGAUIDUXEJA-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001139951891 1026756861 /nfs/dbraw/zinc/75/68/61/1026756861.db2.gz RUUGGAUIDUXEJA-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001139951891 1026756874 /nfs/dbraw/zinc/75/68/74/1026756874.db2.gz RUUGGAUIDUXEJA-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001140024234 1026811645 /nfs/dbraw/zinc/81/16/45/1026811645.db2.gz DDKBFMYEMQWFAC-GOSISDBHSA-N 2 1 392.551 3.794 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001140024234 1026811657 /nfs/dbraw/zinc/81/16/57/1026811657.db2.gz DDKBFMYEMQWFAC-GOSISDBHSA-N 2 1 392.551 3.794 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001140025645 1026812996 /nfs/dbraw/zinc/81/29/96/1026812996.db2.gz QZASOILVRZTOAU-YMPZKCBVSA-N 2 1 383.536 3.975 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001140025506 1026813888 /nfs/dbraw/zinc/81/38/88/1026813888.db2.gz BZOSUIBBGMDGEH-QFBILLFUSA-N 2 1 384.524 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071468 1026853344 /nfs/dbraw/zinc/85/33/44/1026853344.db2.gz LYIDICYTNQAQJR-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071468 1026853351 /nfs/dbraw/zinc/85/33/51/1026853351.db2.gz LYIDICYTNQAQJR-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071468 1026853359 /nfs/dbraw/zinc/85/33/59/1026853359.db2.gz LYIDICYTNQAQJR-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071468 1026853383 /nfs/dbraw/zinc/85/33/83/1026853383.db2.gz LYIDICYTNQAQJR-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071468 1026853391 /nfs/dbraw/zinc/85/33/91/1026853391.db2.gz LYIDICYTNQAQJR-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071468 1026853399 /nfs/dbraw/zinc/85/33/99/1026853399.db2.gz LYIDICYTNQAQJR-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071468 1026853403 /nfs/dbraw/zinc/85/34/03/1026853403.db2.gz LYIDICYTNQAQJR-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140177357 1026949887 /nfs/dbraw/zinc/94/98/87/1026949887.db2.gz UFSBDJQXUCYARJ-MSOLQXFVSA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140177357 1026949893 /nfs/dbraw/zinc/94/98/93/1026949893.db2.gz UFSBDJQXUCYARJ-MSOLQXFVSA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(Br)n4)cc3)C[C@@H]2C1 ZINC001140177357 1026949899 /nfs/dbraw/zinc/94/98/99/1026949899.db2.gz UFSBDJQXUCYARJ-MSOLQXFVSA-N 2 1 386.337 3.895 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@H+](Cc3c[nH+]ccc3N)C2)c1-c1ccccc1 ZINC001209733290 1027127108 /nfs/dbraw/zinc/12/71/08/1027127108.db2.gz JHXRJZHDKBDRRH-INIZCTEOSA-N 2 1 393.516 3.566 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@@H+](Cc3c[nH+]ccc3N)C2)c1-c1ccccc1 ZINC001209733290 1027127117 /nfs/dbraw/zinc/12/71/17/1027127117.db2.gz JHXRJZHDKBDRRH-INIZCTEOSA-N 2 1 393.516 3.566 20 0 GHADMP COC(=O)c1c[nH+]c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c2ccn(C)c21 ZINC001166888180 1027133849 /nfs/dbraw/zinc/13/38/49/1027133849.db2.gz FCCQWHWWHGPMMO-IBGZPJMESA-N 2 1 378.476 3.609 20 0 GHADMP Fc1ccc(OCc2ccccc2)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267562 1027415766 /nfs/dbraw/zinc/41/57/66/1027415766.db2.gz JFDPEZDUUMUQPP-UHFFFAOYSA-N 2 1 378.451 3.953 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC001461257346 1069465037 /nfs/dbraw/zinc/46/50/37/1069465037.db2.gz PJHJHZGTPBZVCO-CABCVRRESA-N 2 1 383.330 3.573 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001203744927 1027567181 /nfs/dbraw/zinc/56/71/81/1027567181.db2.gz PWFUGEKWLGEGRH-GIWBLDEGSA-N 2 1 381.568 3.577 20 0 GHADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c(C)c1 ZINC001203744927 1027567190 /nfs/dbraw/zinc/56/71/90/1027567190.db2.gz PWFUGEKWLGEGRH-GIWBLDEGSA-N 2 1 381.568 3.577 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c(C)c1 ZINC001203744927 1027567197 /nfs/dbraw/zinc/56/71/97/1027567197.db2.gz PWFUGEKWLGEGRH-GIWBLDEGSA-N 2 1 381.568 3.577 20 0 GHADMP Cc1ccc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001203748639 1027571458 /nfs/dbraw/zinc/57/14/58/1027571458.db2.gz RBNIUEXGYPKRLE-QHCPKHFHSA-N 2 1 379.548 3.954 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)cc(OC)c1 ZINC001203856498 1027663090 /nfs/dbraw/zinc/66/30/90/1027663090.db2.gz WDZYVXOGKHLUNG-IEXUWNMDSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc(OC)c1 ZINC001203856498 1027663098 /nfs/dbraw/zinc/66/30/98/1027663098.db2.gz WDZYVXOGKHLUNG-IEXUWNMDSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc(OC)c1 ZINC001203856498 1027663110 /nfs/dbraw/zinc/66/31/10/1027663110.db2.gz WDZYVXOGKHLUNG-IEXUWNMDSA-N 2 1 395.547 3.831 20 0 GHADMP C(=C/[NH+]1CCCC1)\c1cccnc1-c1noc(-c2c[nH+]ccc2N2CCCC2)n1 ZINC001214682924 1028857355 /nfs/dbraw/zinc/85/73/55/1028857355.db2.gz QQXQXMKMKQZARD-OVCLIPMQSA-N 2 1 388.475 3.860 20 0 GHADMP C[C@]1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898291 1028994269 /nfs/dbraw/zinc/99/42/69/1028994269.db2.gz MCIHYHGIEFYUIZ-LADGPHEKSA-N 2 1 394.563 3.678 20 0 GHADMP CCN(C(=O)NCc1ccc(CC[NH3+])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000841928594 1029001863 /nfs/dbraw/zinc/00/18/63/1029001863.db2.gz OXAYFBONTOCVGT-AUSIDOKSSA-N 2 1 394.563 3.555 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142599242 1029128111 /nfs/dbraw/zinc/12/81/11/1029128111.db2.gz DVEDDMFNABZONT-XMMPIXPASA-N 2 1 378.516 3.961 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142599242 1029128121 /nfs/dbraw/zinc/12/81/21/1029128121.db2.gz DVEDDMFNABZONT-XMMPIXPASA-N 2 1 378.516 3.961 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142599242 1029128130 /nfs/dbraw/zinc/12/81/30/1029128130.db2.gz DVEDDMFNABZONT-XMMPIXPASA-N 2 1 378.516 3.961 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142599242 1029128142 /nfs/dbraw/zinc/12/81/42/1029128142.db2.gz DVEDDMFNABZONT-XMMPIXPASA-N 2 1 378.516 3.961 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001142627369 1029173272 /nfs/dbraw/zinc/17/32/72/1029173272.db2.gz LJXQBEZAEAHINJ-LJQANCHMSA-N 2 1 375.582 3.603 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc3[nH]ccc31)CC2 ZINC001142872419 1029617936 /nfs/dbraw/zinc/61/79/36/1029617936.db2.gz ATDDZXJOOGNDGQ-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC000842922296 1029686955 /nfs/dbraw/zinc/68/69/55/1029686955.db2.gz VUCCKWUXYMWVKC-LFGUQSLTSA-N 2 1 375.557 3.613 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cnc3ccc(Cl)nn13)CC2 ZINC001142988333 1029758475 /nfs/dbraw/zinc/75/84/75/1029758475.db2.gz VOXONGHGWUBTOQ-GOSISDBHSA-N 2 1 399.926 3.852 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3nccn3c1)CC2 ZINC001143020884 1029787879 /nfs/dbraw/zinc/78/78/79/1029787879.db2.gz FFHPUIZFWIRFFS-QFIPXVFZSA-N 2 1 390.531 3.590 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843059711 1029790765 /nfs/dbraw/zinc/79/07/65/1029790765.db2.gz QTTCJTPXWPKYIV-IPELMVKDSA-N 2 1 376.907 3.592 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843059711 1029790773 /nfs/dbraw/zinc/79/07/73/1029790773.db2.gz QTTCJTPXWPKYIV-IPELMVKDSA-N 2 1 376.907 3.592 20 0 GHADMP COc1ccc([C@H](O)C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)Cc2ccccc2)cc1 ZINC000843130185 1029818874 /nfs/dbraw/zinc/81/88/74/1029818874.db2.gz ZPHXUHZWHXHQCJ-NTKDMRAZSA-N 2 1 382.548 3.661 20 0 GHADMP C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843353223 1029932566 /nfs/dbraw/zinc/93/25/66/1029932566.db2.gz VEQHWAASIDOSPC-UHFFFAOYSA-N 2 1 397.363 3.864 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)cc1 ZINC001222113095 1029968260 /nfs/dbraw/zinc/96/82/60/1029968260.db2.gz BZUQTXLRVLESRJ-UHFFFAOYSA-N 2 1 378.582 3.616 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001222115281 1029969993 /nfs/dbraw/zinc/96/99/93/1029969993.db2.gz NTVQERZUVMTYGV-HXUWFJFHSA-N 2 1 378.605 3.691 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC001222249543 1030031561 /nfs/dbraw/zinc/03/15/61/1030031561.db2.gz ODCAIQAWQXFQGQ-HXUWFJFHSA-N 2 1 386.584 3.729 20 0 GHADMP Brc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1-n1ccnc1 ZINC001222320970 1030070475 /nfs/dbraw/zinc/07/04/75/1030070475.db2.gz PIYMQYUKGBSAGS-IBGZPJMESA-N 2 1 389.341 3.743 20 0 GHADMP Brc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1-n1ccnc1 ZINC001222320970 1030070493 /nfs/dbraw/zinc/07/04/93/1030070493.db2.gz PIYMQYUKGBSAGS-IBGZPJMESA-N 2 1 389.341 3.743 20 0 GHADMP COc1ccccc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222576168 1030208489 /nfs/dbraw/zinc/20/84/89/1030208489.db2.gz RCAPOXLRQLXBOO-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP OCCc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222590768 1030216176 /nfs/dbraw/zinc/21/61/76/1030216176.db2.gz NACPZULPIXMJBM-DEOSSOPVSA-N 2 1 394.559 3.525 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)NCC3)cc1 ZINC001222595503 1030222470 /nfs/dbraw/zinc/22/24/70/1030222470.db2.gz BPPBRMJXIUXXCC-HSZRJFAPSA-N 2 1 391.559 3.958 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC001222665506 1030267363 /nfs/dbraw/zinc/26/73/63/1030267363.db2.gz FBTWODNSDIFOOA-HXUWFJFHSA-N 2 1 388.600 3.696 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001222665506 1030267380 /nfs/dbraw/zinc/26/73/80/1030267380.db2.gz FBTWODNSDIFOOA-HXUWFJFHSA-N 2 1 388.600 3.696 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001222665506 1030267391 /nfs/dbraw/zinc/26/73/91/1030267391.db2.gz FBTWODNSDIFOOA-HXUWFJFHSA-N 2 1 388.600 3.696 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001223089489 1030434685 /nfs/dbraw/zinc/43/46/85/1030434685.db2.gz RELNPJMLLLTOLK-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001223089489 1030434695 /nfs/dbraw/zinc/43/46/95/1030434695.db2.gz RELNPJMLLLTOLK-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001223089971 1030435102 /nfs/dbraw/zinc/43/51/02/1030435102.db2.gz UBUHKDKDFNNSEP-FGZHOGPDSA-N 2 1 388.600 3.707 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1Cl ZINC001223445604 1030577637 /nfs/dbraw/zinc/57/76/37/1030577637.db2.gz WZBIFUJWWPAYIP-TWOQFEAHSA-N 2 1 392.975 3.647 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001150873435 1030693276 /nfs/dbraw/zinc/69/32/76/1030693276.db2.gz OGMPCSWSZYJQMB-QFIPXVFZSA-N 2 1 383.580 3.908 20 0 GHADMP C[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001223748410 1030737228 /nfs/dbraw/zinc/73/72/28/1030737228.db2.gz MHVINAVCMUSRPK-GUDVDZBRSA-N 2 1 391.519 3.527 20 0 GHADMP C[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001223748410 1030737235 /nfs/dbraw/zinc/73/72/35/1030737235.db2.gz MHVINAVCMUSRPK-GUDVDZBRSA-N 2 1 391.519 3.527 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@@H]3C[C@H]4C[NH2+]CCN4C3)c2)CC[N@H+]1C ZINC001218107596 1030776720 /nfs/dbraw/zinc/77/67/20/1030776720.db2.gz DKYLWFCJDCZWCV-LSYLRQOFSA-N 2 1 397.607 3.654 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@@H]3C[C@H]4CNCC[NH+]4C3)c2)CC[N@@H+]1C ZINC001218107596 1030776735 /nfs/dbraw/zinc/77/67/35/1030776735.db2.gz DKYLWFCJDCZWCV-LSYLRQOFSA-N 2 1 397.607 3.654 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@@H]3C[C@H]4CNCC[NH+]4C3)c2)CC[N@H+]1C ZINC001218107596 1030776749 /nfs/dbraw/zinc/77/67/49/1030776749.db2.gz DKYLWFCJDCZWCV-LSYLRQOFSA-N 2 1 397.607 3.654 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@@H]3C[C@H]4CNCC[N@@H+]4C3)c2)CC[NH+]1C ZINC001218107596 1030776760 /nfs/dbraw/zinc/77/67/60/1030776760.db2.gz DKYLWFCJDCZWCV-LSYLRQOFSA-N 2 1 397.607 3.654 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@@H]3C[C@H]4CNCC[N@H+]4C3)c2)CC[NH+]1C ZINC001218107596 1030776779 /nfs/dbraw/zinc/77/67/79/1030776779.db2.gz DKYLWFCJDCZWCV-LSYLRQOFSA-N 2 1 397.607 3.654 20 0 GHADMP C[C@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001218297513 1030876348 /nfs/dbraw/zinc/87/63/48/1030876348.db2.gz SYTZCBLMAWTICN-CYFREDJKSA-N 2 1 394.559 3.778 20 0 GHADMP C[C@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001218297513 1030876366 /nfs/dbraw/zinc/87/63/66/1030876366.db2.gz SYTZCBLMAWTICN-CYFREDJKSA-N 2 1 394.559 3.778 20 0 GHADMP C[C@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001218297516 1030877537 /nfs/dbraw/zinc/87/75/37/1030877537.db2.gz SYTZCBLMAWTICN-YADARESESA-N 2 1 394.559 3.778 20 0 GHADMP C[C@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001218297516 1030877555 /nfs/dbraw/zinc/87/75/55/1030877555.db2.gz SYTZCBLMAWTICN-YADARESESA-N 2 1 394.559 3.778 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001151816586 1031013570 /nfs/dbraw/zinc/01/35/70/1031013570.db2.gz UPOPSNTXFWIQTP-GOTSBHOMSA-N 2 1 377.532 3.805 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001151816586 1031013587 /nfs/dbraw/zinc/01/35/87/1031013587.db2.gz UPOPSNTXFWIQTP-GOTSBHOMSA-N 2 1 377.532 3.805 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001224898670 1031169930 /nfs/dbraw/zinc/16/99/30/1031169930.db2.gz KGSCCJHOXPNSOR-ILWGZMRPSA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001224898670 1031169938 /nfs/dbraw/zinc/16/99/38/1031169938.db2.gz KGSCCJHOXPNSOR-ILWGZMRPSA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001224898670 1031169944 /nfs/dbraw/zinc/16/99/44/1031169944.db2.gz KGSCCJHOXPNSOR-ILWGZMRPSA-N 2 1 386.584 3.776 20 0 GHADMP c1ccc(C[NH+]2CCO[C@@H](CO[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224956844 1031190974 /nfs/dbraw/zinc/19/09/74/1031190974.db2.gz SXKOCXWZHVYADD-BJKOFHAPSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCO[C@@H](CO[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224956844 1031190979 /nfs/dbraw/zinc/19/09/79/1031190979.db2.gz SXKOCXWZHVYADD-BJKOFHAPSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224956844 1031190989 /nfs/dbraw/zinc/19/09/89/1031190989.db2.gz SXKOCXWZHVYADD-BJKOFHAPSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224956844 1031190995 /nfs/dbraw/zinc/19/09/95/1031190995.db2.gz SXKOCXWZHVYADD-BJKOFHAPSA-N 2 1 380.532 3.569 20 0 GHADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](OC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224961292 1031192906 /nfs/dbraw/zinc/19/29/06/1031192906.db2.gz NXEGYVBXTZOTIA-AKIFATBCSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224961292 1031192920 /nfs/dbraw/zinc/19/29/20/1031192920.db2.gz NXEGYVBXTZOTIA-AKIFATBCSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[NH+]1CCC[C@H](OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224961292 1031192930 /nfs/dbraw/zinc/19/29/30/1031192930.db2.gz NXEGYVBXTZOTIA-AKIFATBCSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[NH+]1CCC[C@H](OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224961292 1031192942 /nfs/dbraw/zinc/19/29/42/1031192942.db2.gz NXEGYVBXTZOTIA-AKIFATBCSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001219046943 1031229322 /nfs/dbraw/zinc/22/93/22/1031229322.db2.gz MUXBCDIBZVPBQR-GTCCEBARSA-N 2 1 395.547 3.733 20 0 GHADMP C[C@H]([NH3+])c1ncc(C(=O)Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)s1 ZINC001219047298 1031229380 /nfs/dbraw/zinc/22/93/80/1031229380.db2.gz UXOOUPYCKZCYMC-WMLDXEAASA-N 2 1 392.528 3.992 20 0 GHADMP C[C@H]([NH3+])c1ncc(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)s1 ZINC001219047298 1031229390 /nfs/dbraw/zinc/22/93/90/1031229390.db2.gz UXOOUPYCKZCYMC-WMLDXEAASA-N 2 1 392.528 3.992 20 0 GHADMP O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@@H]1[NH2+]Cc2ccccc21 ZINC001219487011 1031451965 /nfs/dbraw/zinc/45/19/65/1031451965.db2.gz XOVCLZAAGUJVNH-FYYLOGMGSA-N 2 1 375.516 3.813 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)c1 ZINC001225662584 1031529418 /nfs/dbraw/zinc/52/94/18/1031529418.db2.gz QMIYZGLAJGEJCP-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001220061890 1031761567 /nfs/dbraw/zinc/76/15/67/1031761567.db2.gz GKDBLMDFLNJLNO-CVDCTZTESA-N 2 1 379.548 3.527 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001220552645 1031987148 /nfs/dbraw/zinc/98/71/48/1031987148.db2.gz SRPIOJBHVXTLOJ-OALUTQOASA-N 2 1 392.975 3.649 20 0 GHADMP c1cc2c(cccc2C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH]1 ZINC001205282224 1033339454 /nfs/dbraw/zinc/33/94/54/1033339454.db2.gz ORJXZXIDJHZIFT-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP C[C@H](CCc1cncc2ccccc21)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001205389066 1033390553 /nfs/dbraw/zinc/39/05/53/1033390553.db2.gz RRDXETJHJNYACJ-DVECYGJZSA-N 2 1 389.543 3.912 20 0 GHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001205405258 1033395813 /nfs/dbraw/zinc/39/58/13/1033395813.db2.gz GIEMSYQQKDWHHW-VQIMIIECSA-N 2 1 383.374 3.861 20 0 GHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC001205405258 1033395823 /nfs/dbraw/zinc/39/58/23/1033395823.db2.gz GIEMSYQQKDWHHW-VQIMIIECSA-N 2 1 383.374 3.861 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc4[nH]ccc4c3)O2)CC1 ZINC001205587951 1033481320 /nfs/dbraw/zinc/48/13/20/1033481320.db2.gz LYOIQYXXAQYVMF-GMKZXUHWSA-N 2 1 397.563 3.648 20 0 GHADMP C[C@H]1CC[N@H+](Cc2cc(Br)c(Br)o2)CC[C@H]1C[NH3+] ZINC001205618515 1033495940 /nfs/dbraw/zinc/49/59/40/1033495940.db2.gz WSEXURLLXBXLGY-UWVGGRQHSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(Br)c(Br)o2)CC[C@H]1C[NH3+] ZINC001205618515 1033495945 /nfs/dbraw/zinc/49/59/45/1033495945.db2.gz WSEXURLLXBXLGY-UWVGGRQHSA-N 2 1 380.124 3.611 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](CCOC)Cc2cc(Br)cs2)CC1 ZINC001205668261 1033520349 /nfs/dbraw/zinc/52/03/49/1033520349.db2.gz WMIIGIWIZSSRCI-UHFFFAOYSA-N 2 1 375.376 3.691 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CC[C@H]1F ZINC001206176392 1033754886 /nfs/dbraw/zinc/75/48/86/1033754886.db2.gz ZNHSNCDFYGWOAX-HZPDHXFCSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CC[C@H]1F ZINC001206176392 1033754901 /nfs/dbraw/zinc/75/49/01/1033754901.db2.gz ZNHSNCDFYGWOAX-HZPDHXFCSA-N 2 1 378.289 3.772 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(CC[NH3+])c3cccnc3)c2c1C ZINC001158001605 1033861712 /nfs/dbraw/zinc/86/17/12/1033861712.db2.gz KIZAFFAWWNQLHG-UHFFFAOYSA-N 2 1 396.564 3.786 20 0 GHADMP CC(C)[N@@H+](Cc1cc(I)cs1)[C@H]1CCC[NH2+]CC1 ZINC001206591630 1033918268 /nfs/dbraw/zinc/91/82/68/1033918268.db2.gz UIMVOQBPVNDIPX-ZDUSSCGKSA-N 2 1 378.323 3.705 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(-n2cccn2)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC001206599354 1033920893 /nfs/dbraw/zinc/92/08/93/1033920893.db2.gz RTXFZZMCFFLRBL-KRWDZBQOSA-N 2 1 391.357 3.987 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC2(CCC[NH2+]2)CC1)c1ccccc1 ZINC001158168498 1033950509 /nfs/dbraw/zinc/95/05/09/1033950509.db2.gz GTUBKMKQKJTWRO-JOCHJYFZSA-N 2 1 377.532 3.604 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC2(CCC[NH2+]2)CC1)c1ccccc1 ZINC001158168498 1033950513 /nfs/dbraw/zinc/95/05/13/1033950513.db2.gz GTUBKMKQKJTWRO-JOCHJYFZSA-N 2 1 377.532 3.604 20 0 GHADMP c1ccc(CO[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206723385 1033958451 /nfs/dbraw/zinc/95/84/51/1033958451.db2.gz YXUBVRLQNOJYNW-DEOSSOPVSA-N 2 1 380.532 3.700 20 0 GHADMP c1ccc(CO[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206723385 1033958452 /nfs/dbraw/zinc/95/84/52/1033958452.db2.gz YXUBVRLQNOJYNW-DEOSSOPVSA-N 2 1 380.532 3.700 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(OCc2ccccc2)c1OC ZINC001206811522 1033995038 /nfs/dbraw/zinc/99/50/38/1033995038.db2.gz VZFQTAJGSBTQIJ-PKOBYXMFSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(OCc2ccccc2)c1OC ZINC001206811522 1033995045 /nfs/dbraw/zinc/99/50/45/1033995045.db2.gz VZFQTAJGSBTQIJ-PKOBYXMFSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cncc(OC)c2)CC3)c1 ZINC001206993367 1034046381 /nfs/dbraw/zinc/04/63/81/1034046381.db2.gz JAXOPCBADPMQMF-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP CCc1nccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)n1 ZINC001207088135 1034086011 /nfs/dbraw/zinc/08/60/11/1034086011.db2.gz RDICDCZOMDSUBX-UHFFFAOYSA-N 2 1 380.536 3.536 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247295933 1034147520 /nfs/dbraw/zinc/14/75/20/1034147520.db2.gz OGBHEFLFRGWAND-ROUUACIJSA-N 2 1 376.504 3.855 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247295933 1034147533 /nfs/dbraw/zinc/14/75/33/1034147533.db2.gz OGBHEFLFRGWAND-ROUUACIJSA-N 2 1 376.504 3.855 20 0 GHADMP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(N2CCCC2)cc[nH+]1 ZINC001158553183 1034150903 /nfs/dbraw/zinc/15/09/03/1034150903.db2.gz ZFPPOODHUBDSKX-LJQANCHMSA-N 2 1 390.453 3.935 20 0 GHADMP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(N2CCCC2)cc[nH+]1 ZINC001158553183 1034150909 /nfs/dbraw/zinc/15/09/09/1034150909.db2.gz ZFPPOODHUBDSKX-LJQANCHMSA-N 2 1 390.453 3.935 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001207244561 1034206003 /nfs/dbraw/zinc/20/60/03/1034206003.db2.gz DMJUDXOIEXGCFB-UXHICEINSA-N 2 1 379.589 3.974 20 0 GHADMP C[C@@]1(C[NH3+])CCCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001158684250 1034229377 /nfs/dbraw/zinc/22/93/77/1034229377.db2.gz MURVSIGLVQNVAS-QFIPXVFZSA-N 2 1 399.608 3.731 20 0 GHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207279642 1034232717 /nfs/dbraw/zinc/23/27/17/1034232717.db2.gz NLUZBLOBFXYEGO-XMMPIXPASA-N 2 1 394.563 3.514 20 0 GHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207279642 1034232733 /nfs/dbraw/zinc/23/27/33/1034232733.db2.gz NLUZBLOBFXYEGO-XMMPIXPASA-N 2 1 394.563 3.514 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289081 1034239356 /nfs/dbraw/zinc/23/93/56/1034239356.db2.gz GUQYFOSHGDOETB-SZPZYZBQSA-N 2 1 399.579 3.982 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207481354 1034391826 /nfs/dbraw/zinc/39/18/26/1034391826.db2.gz CRFKINPDRLEOKG-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)CCC1CC[NH+](C)CC1 ZINC001207487951 1034394789 /nfs/dbraw/zinc/39/47/89/1034394789.db2.gz ZOLIFSMNVZTIIB-DSKINZAPSA-N 2 1 384.605 3.812 20 0 GHADMP CC(C)(C)OC(=O)c1c(Nc2cc[nH+]cc2C(F)(F)F)sc2c1CC[NH2+]C2 ZINC001159271790 1034515457 /nfs/dbraw/zinc/51/54/57/1034515457.db2.gz HZTXVXAZOFHIIK-UHFFFAOYSA-N 2 1 399.438 3.928 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](CC3CCSCC3)CC2)CC1 ZINC001207756935 1034559663 /nfs/dbraw/zinc/55/96/63/1034559663.db2.gz WAUUKLZCJIQCFD-UHFFFAOYSA-N 2 1 397.629 3.583 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(I)s3)C[C@H]2C1 ZINC001207783209 1034575267 /nfs/dbraw/zinc/57/52/67/1034575267.db2.gz BXFBXKBOVYSMNK-YNEHKIRRSA-N 2 1 390.334 3.515 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C(F)(F)F)nc3sccn23)CC1 ZINC001231433216 1034581158 /nfs/dbraw/zinc/58/11/58/1034581158.db2.gz HLDMGAYNZXUMAR-UHFFFAOYSA-N 2 1 395.454 3.857 20 0 GHADMP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)ccc2c1 ZINC001231440168 1034588785 /nfs/dbraw/zinc/58/87/85/1034588785.db2.gz BJHXNDZNSTWJKI-ZRZAMGCNSA-N 2 1 386.543 3.865 20 0 GHADMP CCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207838447 1034617173 /nfs/dbraw/zinc/61/71/73/1034617173.db2.gz YLAPCBBBGLJJRU-IPMKNSEASA-N 2 1 379.589 3.734 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)cc1O ZINC001231473547 1034619620 /nfs/dbraw/zinc/61/96/20/1034619620.db2.gz BKPPNUOMGYRECG-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP C[NH+](C)[C@@H](CNc1nccc(C2CC[NH2+]CC2)n1)c1ccc(Cl)cc1Cl ZINC001159514478 1034629918 /nfs/dbraw/zinc/62/99/18/1034629918.db2.gz BHIFNBOGPIHSIU-SFHVURJKSA-N 2 1 394.350 3.965 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H](C)Cc1ccc(C(C)C)cc1)CC2 ZINC001207939772 1034669938 /nfs/dbraw/zinc/66/99/38/1034669938.db2.gz KITHXQLXUZROLR-FQEVSTJZSA-N 2 1 385.596 3.665 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H](C)Cc1ccc(C(C)C)cc1)CC2 ZINC001207939772 1034669945 /nfs/dbraw/zinc/66/99/45/1034669945.db2.gz KITHXQLXUZROLR-FQEVSTJZSA-N 2 1 385.596 3.665 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)ccc1OC(=O)C(C)C ZINC001231535396 1034691216 /nfs/dbraw/zinc/69/12/16/1034691216.db2.gz VTVZVYRZAYWPDO-GOSISDBHSA-N 2 1 384.476 3.613 20 0 GHADMP COc1cc(CN2CC[C@@H](Oc3ccncc3C)C2)ccc1OC(=O)C(C)C ZINC001231535396 1034691223 /nfs/dbraw/zinc/69/12/23/1034691223.db2.gz VTVZVYRZAYWPDO-GOSISDBHSA-N 2 1 384.476 3.613 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)C1 ZINC001208163283 1034766325 /nfs/dbraw/zinc/76/63/25/1034766325.db2.gz UDQJXWXFEFAUGA-PKOBYXMFSA-N 2 1 376.541 3.821 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)C1 ZINC001208163283 1034766338 /nfs/dbraw/zinc/76/63/38/1034766338.db2.gz UDQJXWXFEFAUGA-PKOBYXMFSA-N 2 1 376.541 3.821 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC001461921608 1069885382 /nfs/dbraw/zinc/88/53/82/1069885382.db2.gz UOCNYOMKFLOOKQ-INIZCTEOSA-N 2 1 388.383 3.992 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC001461921608 1069885399 /nfs/dbraw/zinc/88/53/99/1069885399.db2.gz UOCNYOMKFLOOKQ-INIZCTEOSA-N 2 1 388.383 3.992 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001231639968 1034796573 /nfs/dbraw/zinc/79/65/73/1034796573.db2.gz DAPOGKONVZXCBO-HSZRJFAPSA-N 2 1 394.563 3.542 20 0 GHADMP C(Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@H]1CCCC[NH2+]1 ZINC001160151753 1034879904 /nfs/dbraw/zinc/87/99/04/1034879904.db2.gz YQXWNERXHGFZCF-OAHLLOKOSA-N 2 1 385.581 3.720 20 0 GHADMP CC(C)Oc1ncccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001231758143 1034890347 /nfs/dbraw/zinc/89/03/47/1034890347.db2.gz MDMMWASBEHGGSL-UHFFFAOYSA-N 2 1 395.547 3.736 20 0 GHADMP CC(C)Oc1ncccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001231758143 1034890360 /nfs/dbraw/zinc/89/03/60/1034890360.db2.gz MDMMWASBEHGGSL-UHFFFAOYSA-N 2 1 395.547 3.736 20 0 GHADMP Fc1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1OCC1CC[NH2+]CC1 ZINC001160195726 1034898889 /nfs/dbraw/zinc/89/88/89/1034898889.db2.gz VYUOWSLRYVWOML-UHFFFAOYSA-N 2 1 399.510 3.780 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccc(C[C@H]4CCC[NH2+]C4)cc3)c2)CC1 ZINC001160265144 1034923182 /nfs/dbraw/zinc/92/31/82/1034923182.db2.gz KGHYMWFHTQGKTE-OAQYLSRUSA-N 2 1 378.564 3.720 20 0 GHADMP COCC[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811088 1034923550 /nfs/dbraw/zinc/92/35/50/1034923550.db2.gz SUBJRBVWMLTPTQ-HSZRJFAPSA-N 2 1 384.520 3.507 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC3(C2)CC[NH+](Cc2cccnc2)C3)cc1 ZINC001208585434 1034943004 /nfs/dbraw/zinc/94/30/04/1034943004.db2.gz LRIQVFMQVCEMLT-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cc1 ZINC001208585434 1034943011 /nfs/dbraw/zinc/94/30/11/1034943011.db2.gz LRIQVFMQVCEMLT-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001208585434 1034943012 /nfs/dbraw/zinc/94/30/12/1034943012.db2.gz LRIQVFMQVCEMLT-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885439 1034967431 /nfs/dbraw/zinc/96/74/31/1034967431.db2.gz MHNBPYGJDOCRQC-VLCRHTCISA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885439 1034967434 /nfs/dbraw/zinc/96/74/34/1034967434.db2.gz MHNBPYGJDOCRQC-VLCRHTCISA-N 2 1 393.531 3.585 20 0 GHADMP CC(C)Oc1ncccc1CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208800902 1035028658 /nfs/dbraw/zinc/02/86/58/1035028658.db2.gz FCNZSQAQGRHVOX-XZOQPEGZSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208800902 1035028668 /nfs/dbraw/zinc/02/86/68/1035028668.db2.gz FCNZSQAQGRHVOX-XZOQPEGZSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208800902 1035028674 /nfs/dbraw/zinc/02/86/74/1035028674.db2.gz FCNZSQAQGRHVOX-XZOQPEGZSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208800902 1035028683 /nfs/dbraw/zinc/02/86/83/1035028683.db2.gz FCNZSQAQGRHVOX-XZOQPEGZSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208800902 1035028692 /nfs/dbraw/zinc/02/86/92/1035028692.db2.gz FCNZSQAQGRHVOX-XZOQPEGZSA-N 2 1 379.548 3.865 20 0 GHADMP C[NH+](C)CCC[N@@H+](C)CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001208817590 1035037348 /nfs/dbraw/zinc/03/73/48/1035037348.db2.gz HCSJCXSECNAVFV-UHFFFAOYSA-N 2 1 387.565 3.822 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232012993 1035042233 /nfs/dbraw/zinc/04/22/33/1035042233.db2.gz CTAXHNCDAMBYAP-LJQANCHMSA-N 3 1 396.560 3.880 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208933291 1035096199 /nfs/dbraw/zinc/09/61/99/1035096199.db2.gz CVOBMQDGJPUETI-QFIPXVFZSA-N 2 1 378.564 3.841 20 0 GHADMP COc1cccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208934047 1035098804 /nfs/dbraw/zinc/09/88/04/1035098804.db2.gz XVXQAFISYIYLNY-JOCHJYFZSA-N 2 1 379.548 3.729 20 0 GHADMP COc1cccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208934047 1035098812 /nfs/dbraw/zinc/09/88/12/1035098812.db2.gz XVXQAFISYIYLNY-JOCHJYFZSA-N 2 1 379.548 3.729 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3C[C@H]3CCC[NH+](Cc4ccccc4)C3)O2)n1 ZINC001208935144 1035100945 /nfs/dbraw/zinc/10/09/45/1035100945.db2.gz JJDBVKGBPYCMCT-DXBBTUNJSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3C[C@H]3CCC[N@H+](Cc4ccccc4)C3)O2)n1 ZINC001208935144 1035100950 /nfs/dbraw/zinc/10/09/50/1035100950.db2.gz JJDBVKGBPYCMCT-DXBBTUNJSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)O2)n1 ZINC001208935144 1035100953 /nfs/dbraw/zinc/10/09/53/1035100953.db2.gz JJDBVKGBPYCMCT-DXBBTUNJSA-N 2 1 396.535 3.585 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936701 1035102920 /nfs/dbraw/zinc/10/29/20/1035102920.db2.gz OYKYZXQXQCIZOC-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP C[NH+](CCCNC(=O)OC(C)(C)C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936701 1035102933 /nfs/dbraw/zinc/10/29/33/1035102933.db2.gz OYKYZXQXQCIZOC-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP C[NH+](CCCNC(=O)OC(C)(C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936701 1035102936 /nfs/dbraw/zinc/10/29/36/1035102936.db2.gz OYKYZXQXQCIZOC-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)c2cccc([C@@H](C)[NH3+])c2)cc1 ZINC001160958357 1035105488 /nfs/dbraw/zinc/10/54/88/1035105488.db2.gz VHYLIEDIJGCBKB-XMSQKQJNSA-N 2 1 395.547 3.842 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208944507 1035114890 /nfs/dbraw/zinc/11/48/90/1035114890.db2.gz XAJCFBGCPFXXOI-JOCHJYFZSA-N 2 1 392.543 3.672 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208944507 1035114895 /nfs/dbraw/zinc/11/48/95/1035114895.db2.gz XAJCFBGCPFXXOI-JOCHJYFZSA-N 2 1 392.543 3.672 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208944507 1035114900 /nfs/dbraw/zinc/11/49/00/1035114900.db2.gz XAJCFBGCPFXXOI-JOCHJYFZSA-N 2 1 392.543 3.672 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208944507 1035114906 /nfs/dbraw/zinc/11/49/06/1035114906.db2.gz XAJCFBGCPFXXOI-JOCHJYFZSA-N 2 1 392.543 3.672 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c1 ZINC001232146610 1035125084 /nfs/dbraw/zinc/12/50/84/1035125084.db2.gz VTHDSOXEADIIKL-UHFFFAOYSA-N 2 1 378.495 3.758 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001232148716 1035126495 /nfs/dbraw/zinc/12/64/95/1035126495.db2.gz JUWVTKVPKYMQID-OFNKIYASSA-N 2 1 383.511 3.963 20 0 GHADMP O=C(OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC001209045045 1035156938 /nfs/dbraw/zinc/15/69/38/1035156938.db2.gz KSCVHCXAJHSDLC-UHFFFAOYSA-N 2 1 378.516 3.832 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCCc1ccncc1)CC2 ZINC001209184245 1035203241 /nfs/dbraw/zinc/20/32/41/1035203241.db2.gz JMOOMCSMHMHOFY-FQEVSTJZSA-N 2 1 385.577 3.831 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CCc1cccs1)CC2 ZINC001209223302 1035211000 /nfs/dbraw/zinc/21/10/00/1035211000.db2.gz WERGYMKOAJBVCC-QGZVFWFLSA-N 2 1 391.606 3.750 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCc1cccs1)CC2 ZINC001209223302 1035211004 /nfs/dbraw/zinc/21/10/04/1035211004.db2.gz WERGYMKOAJBVCC-QGZVFWFLSA-N 2 1 391.606 3.750 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC001209316256 1035239446 /nfs/dbraw/zinc/23/94/46/1035239446.db2.gz ASRQDYUXUSTGKX-NRFANRHFSA-N 2 1 387.568 3.622 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)CC1 ZINC001209448077 1035276509 /nfs/dbraw/zinc/27/65/09/1035276509.db2.gz MECXVKOGAWTGKM-UHFFFAOYSA-N 2 1 379.589 3.976 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001209450591 1035276792 /nfs/dbraw/zinc/27/67/92/1035276792.db2.gz NSFOKPOZYUPYFV-HSZRJFAPSA-N 2 1 387.543 3.516 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001209450591 1035276796 /nfs/dbraw/zinc/27/67/96/1035276796.db2.gz NSFOKPOZYUPYFV-HSZRJFAPSA-N 2 1 387.543 3.516 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(Br)c2F)no1 ZINC001248194976 1035624861 /nfs/dbraw/zinc/62/48/61/1035624861.db2.gz QJJRIBPCLQTKDU-NSHDSACASA-N 2 1 389.244 3.509 20 0 GHADMP CC[N@@H+]1CCC[C@H](c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)C1 ZINC001248275993 1035722525 /nfs/dbraw/zinc/72/25/25/1035722525.db2.gz WEUUOMSJBFDTCZ-HNAYVOBHSA-N 2 1 381.455 3.807 20 0 GHADMP CC[N@H+]1CCC[C@H](c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)C1 ZINC001248275993 1035722541 /nfs/dbraw/zinc/72/25/41/1035722541.db2.gz WEUUOMSJBFDTCZ-HNAYVOBHSA-N 2 1 381.455 3.807 20 0 GHADMP Clc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2nccn2c1 ZINC001248442969 1035860669 /nfs/dbraw/zinc/86/06/69/1035860669.db2.gz HJRHPRCZZCQUQO-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP Cc1ccc2c(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)cccc2n1 ZINC001248560409 1035957498 /nfs/dbraw/zinc/95/74/98/1035957498.db2.gz RZQBIPKLOCXXDV-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc2c(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)cccc2n1 ZINC001248560409 1035957502 /nfs/dbraw/zinc/95/75/02/1035957502.db2.gz RZQBIPKLOCXXDV-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc2c(C[N@@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)cccc2n1 ZINC001248560409 1035957505 /nfs/dbraw/zinc/95/75/05/1035957505.db2.gz RZQBIPKLOCXXDV-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Br)cnc2C)CC1 ZINC001248779399 1036138651 /nfs/dbraw/zinc/13/86/51/1036138651.db2.gz IVEJGQSXZJDMCA-UHFFFAOYSA-N 2 1 375.314 3.595 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)no1 ZINC001248895271 1036225942 /nfs/dbraw/zinc/22/59/42/1036225942.db2.gz CZCUWGVFNRRKJP-GFCCVEGCSA-N 2 1 390.793 3.678 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2cc(Br)ccc2Cl)no1 ZINC001248895525 1036227319 /nfs/dbraw/zinc/22/73/19/1036227319.db2.gz GNXJOWRNEAIQOG-CYBMUJFWSA-N 2 1 385.693 3.542 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC001246045323 1037158009 /nfs/dbraw/zinc/15/80/09/1037158009.db2.gz TXMQBMVZWRBGAP-SLFFLAALSA-N 2 1 380.866 3.686 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001246045323 1037158028 /nfs/dbraw/zinc/15/80/28/1037158028.db2.gz TXMQBMVZWRBGAP-SLFFLAALSA-N 2 1 380.866 3.686 20 0 GHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001246053207 1037165807 /nfs/dbraw/zinc/16/58/07/1037165807.db2.gz QRCFSMRCCONUSY-KNQAVFIVSA-N 2 1 388.596 3.968 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H](O)COc2ccc(F)cc2)CC2CCCCC2)CC1 ZINC001246065795 1037177813 /nfs/dbraw/zinc/17/78/13/1037177813.db2.gz JMLYUQIOFOCAAC-NJDAHSKKSA-N 2 1 378.532 3.718 20 0 GHADMP CCC(CC)[N@@H+](CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064651 1037178731 /nfs/dbraw/zinc/17/87/31/1037178731.db2.gz FYSTYFVRQMOLIU-AFARHQOCSA-N 3 1 387.612 3.774 20 0 GHADMP CC(C)C[N@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]C1 ZINC001246068207 1037184038 /nfs/dbraw/zinc/18/40/38/1037184038.db2.gz IDOSZIBNSIAFSI-RTBURBONSA-N 2 1 395.547 3.771 20 0 GHADMP CC(C)C[N@@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]C1 ZINC001246068207 1037184045 /nfs/dbraw/zinc/18/40/45/1037184045.db2.gz IDOSZIBNSIAFSI-RTBURBONSA-N 2 1 395.547 3.771 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123980 1037204667 /nfs/dbraw/zinc/20/46/67/1037204667.db2.gz WBMYITFETNHYHO-NFBKMPQASA-N 3 1 395.566 3.848 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246126382 1037206049 /nfs/dbraw/zinc/20/60/49/1037206049.db2.gz LIQHJLCWJQSRMW-FOVJLYNBSA-N 3 1 391.559 3.844 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001462172405 1070052287 /nfs/dbraw/zinc/05/22/87/1070052287.db2.gz ARNKBZXLQJWITJ-HXUWFJFHSA-N 2 1 387.568 3.793 20 0 GHADMP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246141551 1037213458 /nfs/dbraw/zinc/21/34/58/1037213458.db2.gz PYJMQVXEYBJMCI-VJBMBRPKSA-N 3 1 379.523 3.975 20 0 GHADMP Fc1ccc(C2(C[NH2+]C3CCN(CCc4ccccc4)CC3)CC[NH2+]CC2)cc1 ZINC001246213916 1037242008 /nfs/dbraw/zinc/24/20/08/1037242008.db2.gz SRLSIIJFIGBAHY-UHFFFAOYSA-N 2 1 395.566 3.744 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246280812 1037272856 /nfs/dbraw/zinc/27/28/56/1037272856.db2.gz LKXRILBZDHVCDR-HZKQSDJQSA-N 2 1 384.605 3.856 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CCC2CCC3(CC2)OCCO3)CC[NH2+]1 ZINC001246316520 1037291768 /nfs/dbraw/zinc/29/17/68/1037291768.db2.gz HAFYMTPZSLYGIX-TZIWHRDSSA-N 2 1 376.516 3.840 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC[NH2+]1 ZINC001246345378 1037306553 /nfs/dbraw/zinc/30/65/53/1037306553.db2.gz AJPWLMACWVIIJC-DBXWQHBBSA-N 2 1 379.976 3.614 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)CC[NH2+]1 ZINC001246369049 1037326089 /nfs/dbraw/zinc/32/60/89/1037326089.db2.gz BBMGPHYPLOSNHE-OKZBNKHCSA-N 2 1 397.357 3.954 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)CC[NH2+]1 ZINC001246369046 1037327376 /nfs/dbraw/zinc/32/73/76/1037327376.db2.gz BBMGPHYPLOSNHE-KZNAEPCWSA-N 2 1 397.357 3.954 20 0 GHADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1 ZINC001246371061 1037329141 /nfs/dbraw/zinc/32/91/41/1037329141.db2.gz UNJPEDQAIWHSIY-VSKRKVRLSA-N 2 1 383.511 3.742 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC[NH2+]1 ZINC001246389591 1037349934 /nfs/dbraw/zinc/34/99/34/1037349934.db2.gz OFOWAGJIWVFTHN-MOPGFXCFSA-N 2 1 381.499 3.792 20 0 GHADMP C[C@H]1C[C@@H](NC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246392206 1037351353 /nfs/dbraw/zinc/35/13/53/1037351353.db2.gz RALCQIZAUGFJKT-WMZHIEFXSA-N 2 1 381.539 3.743 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)C[C@H](CC)[NH2+]1 ZINC001246393183 1037353526 /nfs/dbraw/zinc/35/35/26/1037353526.db2.gz WGDCQMVGWQGMCL-PMOLBWCYSA-N 2 1 381.499 3.934 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246430570 1037390798 /nfs/dbraw/zinc/39/07/98/1037390798.db2.gz NISOOJQZVSQTRO-PBHICJAKSA-N 2 1 384.442 3.606 20 0 GHADMP COCC[N@@H+](C)[C@H](CN[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001246515179 1037451460 /nfs/dbraw/zinc/45/14/60/1037451460.db2.gz KYKGLDUPYQWSAU-AQNXPRMDSA-N 2 1 381.992 3.716 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCC(O)(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246523115 1037454095 /nfs/dbraw/zinc/45/40/95/1037454095.db2.gz VVRWRJXOXNONPA-JTHBVZDNSA-N 2 1 382.523 3.997 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001246527561 1037461522 /nfs/dbraw/zinc/46/15/22/1037461522.db2.gz GMZLMAVJVXNBSW-XBMUEBEBSA-N 2 1 397.357 3.631 20 0 GHADMP C[C@@H]1CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CC[C@H]1C[NH3+] ZINC001246557885 1037480158 /nfs/dbraw/zinc/48/01/58/1037480158.db2.gz LQZPHTYVYGBBCF-CVEARBPZSA-N 2 1 380.374 3.725 20 0 GHADMP c1ccc(C[C@H]2CN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[NH2+]2)cc1 ZINC001246602747 1037499835 /nfs/dbraw/zinc/49/98/35/1037499835.db2.gz PISMRQWFLCPQNF-JBXUNAHCSA-N 2 1 375.560 3.699 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)CC2)cc1 ZINC001246603019 1037500471 /nfs/dbraw/zinc/50/04/71/1037500471.db2.gz LQQLLNMURSYHHN-XMMPIXPASA-N 2 1 399.579 3.546 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246614177 1037505990 /nfs/dbraw/zinc/50/59/90/1037505990.db2.gz MPTVMEQQWKPYCF-IBGZPJMESA-N 2 1 382.474 3.677 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)CC1 ZINC001246614177 1037506008 /nfs/dbraw/zinc/50/60/08/1037506008.db2.gz MPTVMEQQWKPYCF-IBGZPJMESA-N 2 1 382.474 3.677 20 0 GHADMP Brc1cccc2c1C[C@H]([N@@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246628343 1037514329 /nfs/dbraw/zinc/51/43/29/1037514329.db2.gz XJXIHXHDNQGNLK-QUCCMNQESA-N 2 1 397.360 3.995 20 0 GHADMP Brc1cccc2c1C[C@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246628343 1037514345 /nfs/dbraw/zinc/51/43/45/1037514345.db2.gz XJXIHXHDNQGNLK-QUCCMNQESA-N 2 1 397.360 3.995 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](N3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625736 1037515756 /nfs/dbraw/zinc/51/57/56/1037515756.db2.gz SQLUISSXJBHVTO-BJKOFHAPSA-N 2 1 375.560 3.730 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246650856 1037525447 /nfs/dbraw/zinc/52/54/47/1037525447.db2.gz JCDUCNXNBXNWHH-IBGZPJMESA-N 2 1 382.474 3.677 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@H+]2CCCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246650856 1037525462 /nfs/dbraw/zinc/52/54/62/1037525462.db2.gz JCDUCNXNBXNWHH-IBGZPJMESA-N 2 1 382.474 3.677 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246650071 1037527040 /nfs/dbraw/zinc/52/70/40/1037527040.db2.gz GTYZTFHPBKPJIC-CJFMBICVSA-N 2 1 391.559 3.541 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246650071 1037527053 /nfs/dbraw/zinc/52/70/53/1037527053.db2.gz GTYZTFHPBKPJIC-CJFMBICVSA-N 2 1 391.559 3.541 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+]([C@H](C)Cc1ccc(C)cc1)C2 ZINC001246669662 1037534900 /nfs/dbraw/zinc/53/49/00/1037534900.db2.gz XAPNGXMNNSMHRI-NHCICSSKSA-N 2 1 384.564 3.571 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+]([C@H](C)CC(C)(C)SC)C2 ZINC001246665843 1037535091 /nfs/dbraw/zinc/53/50/91/1037535091.db2.gz IWRQGTWTOQMBJH-LLGFUMIMSA-N 2 1 382.614 3.552 20 0 GHADMP C[C@H]1C[C@H](N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001246673427 1037539964 /nfs/dbraw/zinc/53/99/64/1037539964.db2.gz MLKKRVDLLSAMIK-MNPDLOSFSA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@H+](C2CCC4(CCC[NH2+]C4)CC2)C3)nc1 ZINC001246708354 1037560780 /nfs/dbraw/zinc/56/07/80/1037560780.db2.gz FKMPFCWWKBGJAD-MDRJSERKSA-N 2 1 399.579 3.644 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246714947 1037567463 /nfs/dbraw/zinc/56/74/63/1037567463.db2.gz AAESOLUUEWNKFI-AWAHEQQVSA-N 2 1 385.596 3.975 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246714947 1037567469 /nfs/dbraw/zinc/56/74/69/1037567469.db2.gz AAESOLUUEWNKFI-AWAHEQQVSA-N 2 1 385.596 3.975 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@H]2CCC[C@@]4(CC[NH2+]C4)C2)CCO3)c1 ZINC001246721771 1037571789 /nfs/dbraw/zinc/57/17/89/1037571789.db2.gz RGQGZZVMNDJVAQ-VXNXHJTFSA-N 2 1 383.580 3.589 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246721961 1037572751 /nfs/dbraw/zinc/57/27/51/1037572751.db2.gz MCMLXPFZFPATNX-RRPPUSTOSA-N 2 1 375.601 3.941 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)CC[NH2+]1 ZINC001246743948 1037585832 /nfs/dbraw/zinc/58/58/32/1037585832.db2.gz ZNBYXGKGBMJSLM-VSKRKVRLSA-N 2 1 378.601 3.843 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753322 1037593196 /nfs/dbraw/zinc/59/31/96/1037593196.db2.gz KMXRWFOOYYMHGF-XODKDNOYSA-N 2 1 378.564 3.825 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CC[NH2+]1 ZINC001246761667 1037604220 /nfs/dbraw/zinc/60/42/20/1037604220.db2.gz ULEYXXBWRHSNSO-LLIHQYLTSA-N 2 1 387.543 3.889 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246782857 1037622961 /nfs/dbraw/zinc/62/29/61/1037622961.db2.gz LMUYVBWAWNJXJN-RBUKOAKNSA-N 2 1 394.401 3.733 20 0 GHADMP Clc1ccc(CO[C@H]2CC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)c(Cl)c1 ZINC001246800455 1037635147 /nfs/dbraw/zinc/63/51/47/1037635147.db2.gz PZLLEEKNZOKCRJ-FDYSRKEFSA-N 2 1 399.362 3.886 20 0 GHADMP Brc1cccc([C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)CCN2)c1 ZINC001246808834 1037641742 /nfs/dbraw/zinc/64/17/42/1037641742.db2.gz ZITABPYXXUZLAA-IBGZPJMESA-N 2 1 392.385 3.708 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(Br)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246818570 1037650622 /nfs/dbraw/zinc/65/06/22/1037650622.db2.gz PQTBCQVQUUMWPD-IZZQQSIFSA-N 2 1 380.374 3.880 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]1 ZINC001246822018 1037654585 /nfs/dbraw/zinc/65/45/85/1037654585.db2.gz KXEUSNBSYMFNRP-OAHLLOKOSA-N 2 1 378.973 3.992 20 0 GHADMP Clc1ccc2nc(N3CCC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)sc2c1 ZINC001246823578 1037655607 /nfs/dbraw/zinc/65/56/07/1037655607.db2.gz QCRAPKPRNANDNF-XYPWUTKMSA-N 2 1 376.957 3.745 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246861168 1037680444 /nfs/dbraw/zinc/68/04/44/1037680444.db2.gz SROOORZXEZVQRA-XHDPSFHLSA-N 2 1 395.391 3.811 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC001246859295 1037680786 /nfs/dbraw/zinc/68/07/86/1037680786.db2.gz JIAKIYBBSPNDCC-REWPJTCUSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@H]1C[C@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001246859295 1037680815 /nfs/dbraw/zinc/68/08/15/1037680815.db2.gz JIAKIYBBSPNDCC-REWPJTCUSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@H]1C[C@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)C[N@H+]1Cc1ccccc1 ZINC001246859295 1037680827 /nfs/dbraw/zinc/68/08/27/1037680827.db2.gz JIAKIYBBSPNDCC-REWPJTCUSA-N 2 1 375.560 3.786 20 0 GHADMP C[N@@H+](Cc1c(F)cccc1Oc1ccc(Cl)cc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246862142 1037683448 /nfs/dbraw/zinc/68/34/48/1037683448.db2.gz VMWBQTKGAWAISL-INIZCTEOSA-N 2 1 389.902 3.797 20 0 GHADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246893259 1037709699 /nfs/dbraw/zinc/70/96/99/1037709699.db2.gz VIVXFFONSWMKOM-AJSBUHFISA-N 2 1 380.532 3.804 20 0 GHADMP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN([C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001246896937 1037711921 /nfs/dbraw/zinc/71/19/21/1037711921.db2.gz VBQACBYPUQGATH-CTNGQTDRSA-N 2 1 381.681 3.760 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001246915897 1037723986 /nfs/dbraw/zinc/72/39/86/1037723986.db2.gz ZDZUAXZIKLHELC-UEQSERJNSA-N 2 1 392.543 3.976 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001246915897 1037724001 /nfs/dbraw/zinc/72/40/01/1037724001.db2.gz ZDZUAXZIKLHELC-UEQSERJNSA-N 2 1 392.543 3.976 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@@H+]3C[C@@H]4NC[C@H]4C3)CC2)cc1 ZINC001246925554 1037729963 /nfs/dbraw/zinc/72/99/63/1037729963.db2.gz PLRINVYPGWLQFG-AATYUJHQSA-N 2 1 375.560 3.904 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N3C[C@@H]4[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246925554 1037729984 /nfs/dbraw/zinc/72/99/84/1037729984.db2.gz PLRINVYPGWLQFG-AATYUJHQSA-N 2 1 375.560 3.904 20 0 GHADMP C[NH2+]C1CCC([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001246931037 1037734838 /nfs/dbraw/zinc/73/48/38/1037734838.db2.gz MTLHFISMZCJGPD-VHYCJAOWSA-N 2 1 391.559 3.820 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246940470 1037745555 /nfs/dbraw/zinc/74/55/55/1037745555.db2.gz FDRUEUXNPNGANC-FPOVZHCZSA-N 2 1 376.516 3.749 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCN(c3ccccc3)CC2)cc1 ZINC001246950320 1037754019 /nfs/dbraw/zinc/75/40/19/1037754019.db2.gz GRXBWVMHRYLIMG-UHFFFAOYSA-N 2 1 379.548 3.918 20 0 GHADMP C[N@H+]1CCC[C@@H](N(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246963232 1037785850 /nfs/dbraw/zinc/78/58/50/1037785850.db2.gz NKUYAHHEOBJVJL-MRXNPFEDSA-N 2 1 387.465 3.883 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246967809 1037790463 /nfs/dbraw/zinc/79/04/63/1037790463.db2.gz OGMFCOLKECPISO-KQVJYAISSA-N 2 1 382.552 3.811 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3c(cccc3OC)C2)cc1 ZINC001246968011 1037792375 /nfs/dbraw/zinc/79/23/75/1037792375.db2.gz WLCDTUHGFUBKIB-OAQYLSRUSA-N 2 1 380.532 3.815 20 0 GHADMP Cc1cccc(C[N@H+](C2CCC([NH+]3CCOCC3)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246974154 1037798075 /nfs/dbraw/zinc/79/80/75/1037798075.db2.gz RBGABKFDWUQTGD-SAXTUKQPSA-N 3 1 385.596 3.710 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCN[C@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246982209 1037806147 /nfs/dbraw/zinc/80/61/47/1037806147.db2.gz AZPSAAMNUHZPGP-ADHNFCLRSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246982209 1037806160 /nfs/dbraw/zinc/80/61/60/1037806160.db2.gz AZPSAAMNUHZPGP-ADHNFCLRSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246982209 1037806169 /nfs/dbraw/zinc/80/61/69/1037806169.db2.gz AZPSAAMNUHZPGP-ADHNFCLRSA-N 2 1 396.506 3.816 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC001246993084 1037817836 /nfs/dbraw/zinc/81/78/36/1037817836.db2.gz KFXVFISRKKRWDT-FSNSLZAISA-N 2 1 379.523 3.995 20 0 GHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246998737 1037824430 /nfs/dbraw/zinc/82/44/30/1037824430.db2.gz ZSSHXVKGSKLCLM-ZRBLBEILSA-N 2 1 378.516 3.973 20 0 GHADMP CCOC(=O)[C@@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CCC12C[NH2+]C2 ZINC001247011595 1037834594 /nfs/dbraw/zinc/83/45/94/1037834594.db2.gz YKLLTZWGZCQFQB-UUKMXZOPSA-N 2 1 390.955 3.841 20 0 GHADMP COCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001232300055 1038044624 /nfs/dbraw/zinc/04/46/24/1038044624.db2.gz GREUJHJNTIOYMW-QPTUXGOLSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001232300055 1038044627 /nfs/dbraw/zinc/04/46/27/1038044627.db2.gz GREUJHJNTIOYMW-QPTUXGOLSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001232300055 1038044649 /nfs/dbraw/zinc/04/46/49/1038044649.db2.gz GREUJHJNTIOYMW-QPTUXGOLSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001232300055 1038044674 /nfs/dbraw/zinc/04/46/74/1038044674.db2.gz GREUJHJNTIOYMW-QPTUXGOLSA-N 2 1 379.548 3.961 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cn3cc(Br)ccc3n2)CC1 ZINC001232420928 1038202216 /nfs/dbraw/zinc/20/22/16/1038202216.db2.gz QBZSAMUXRKWYGA-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(Cl)ccnc1F)CC2 ZINC001232613985 1038401297 /nfs/dbraw/zinc/40/12/97/1038401297.db2.gz ZMYCQTLCLKLIKJ-HNNXBMFYSA-N 2 1 393.890 3.723 20 0 GHADMP Cc1c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cccc1C(F)(F)F ZINC001247904461 1038476496 /nfs/dbraw/zinc/47/64/96/1038476496.db2.gz GIZYGPLWJISCLE-AWEZNQCLSA-N 2 1 394.441 3.995 20 0 GHADMP Clc1ccnc2ccc(-c3noc([C@@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)cc12 ZINC001247905651 1038477811 /nfs/dbraw/zinc/47/78/11/1038477811.db2.gz JSBBSXVADVWCFC-OAHLLOKOSA-N 2 1 397.910 3.870 20 0 GHADMP Clc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1Cl ZINC001247905907 1038478304 /nfs/dbraw/zinc/47/83/04/1038478304.db2.gz MMFHIPLFIBPXPN-ZDUSSCGKSA-N 2 1 381.307 3.975 20 0 GHADMP c1cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc(-c2ccncc2)c1 ZINC001247908865 1038481956 /nfs/dbraw/zinc/48/19/56/1038481956.db2.gz DXKNZQQNDNHDEL-UHFFFAOYSA-N 2 1 389.503 3.730 20 0 GHADMP CCOc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1Cl ZINC001247909414 1038483077 /nfs/dbraw/zinc/48/30/77/1038483077.db2.gz LLSXBVRQGACEPQ-UHFFFAOYSA-N 2 1 390.915 3.720 20 0 GHADMP [NH3+][C@H](c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1)C(c1ccccc1)c1ccccc1 ZINC001247911390 1038486679 /nfs/dbraw/zinc/48/66/79/1038486679.db2.gz FHEXOYHTEJZZSX-QFIPXVFZSA-N 2 1 397.482 3.609 20 0 GHADMP CC(C)(O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834514 1038588051 /nfs/dbraw/zinc/58/80/51/1038588051.db2.gz VPXBCKZOWKNJJX-VXKWHMMOSA-N 2 1 379.548 3.653 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834514 1038588056 /nfs/dbraw/zinc/58/80/56/1038588056.db2.gz VPXBCKZOWKNJJX-VXKWHMMOSA-N 2 1 379.548 3.653 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834514 1038588059 /nfs/dbraw/zinc/58/80/59/1038588059.db2.gz VPXBCKZOWKNJJX-VXKWHMMOSA-N 2 1 379.548 3.653 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC[NH+](C3CCCC3)CC2)c1 ZINC001252013955 1038811398 /nfs/dbraw/zinc/81/13/98/1038811398.db2.gz HOKNBGQQEPZFMP-QHCPKHFHSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC001252013955 1038811423 /nfs/dbraw/zinc/81/14/23/1038811423.db2.gz HOKNBGQQEPZFMP-QHCPKHFHSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC001252013955 1038811447 /nfs/dbraw/zinc/81/14/47/1038811447.db2.gz HOKNBGQQEPZFMP-QHCPKHFHSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252379776 1038967657 /nfs/dbraw/zinc/96/76/57/1038967657.db2.gz JFNZCOYEKNKSSL-HXUWFJFHSA-N 2 1 391.515 3.522 20 0 GHADMP Clc1cccc2ncc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n21 ZINC001233358002 1039179896 /nfs/dbraw/zinc/17/98/96/1039179896.db2.gz QQWQJOAREWGMOR-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@H](C)c1cc2ccccc2o1 ZINC001252923350 1039262126 /nfs/dbraw/zinc/26/21/26/1039262126.db2.gz LJEILWRWCWSRFA-ZWKOTPCHSA-N 2 1 388.556 3.797 20 0 GHADMP CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@H](C)c1cc2ccccc2o1 ZINC001252923350 1039262136 /nfs/dbraw/zinc/26/21/36/1039262136.db2.gz LJEILWRWCWSRFA-ZWKOTPCHSA-N 2 1 388.556 3.797 20 0 GHADMP COc1ccccc1CC1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252925689 1039264357 /nfs/dbraw/zinc/26/43/57/1039264357.db2.gz MEGPXHYLSUDWNQ-VWLOTQADSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccccc1CC1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252925689 1039264374 /nfs/dbraw/zinc/26/43/74/1039264374.db2.gz MEGPXHYLSUDWNQ-VWLOTQADSA-N 2 1 394.559 3.587 20 0 GHADMP O[C@]1(CNc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252938831 1039282363 /nfs/dbraw/zinc/28/23/63/1039282363.db2.gz YVAFBAZTHANDLN-DEOSSOPVSA-N 2 1 379.548 3.721 20 0 GHADMP O[C@]1(CNCc2ccccc2N2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944583 1039287038 /nfs/dbraw/zinc/28/70/38/1039287038.db2.gz ZMUHLDMFCMOIBZ-VWLOTQADSA-N 2 1 393.575 3.794 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccccc2N2CCCCCC2)CCN(Cc2ccccc2)C1 ZINC001252944583 1039287048 /nfs/dbraw/zinc/28/70/48/1039287048.db2.gz ZMUHLDMFCMOIBZ-VWLOTQADSA-N 2 1 393.575 3.794 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccccc2N2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252944583 1039287060 /nfs/dbraw/zinc/28/70/60/1039287060.db2.gz ZMUHLDMFCMOIBZ-VWLOTQADSA-N 2 1 393.575 3.794 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccccc2N2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944583 1039287076 /nfs/dbraw/zinc/28/70/76/1039287076.db2.gz ZMUHLDMFCMOIBZ-VWLOTQADSA-N 2 1 393.575 3.794 20 0 GHADMP COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH2+]C(C)(C)C ZINC001253394392 1039596840 /nfs/dbraw/zinc/59/68/40/1039596840.db2.gz KKERLAZVNUENEG-PKTZIBPZSA-N 2 1 396.575 3.790 20 0 GHADMP Cc1ccc(O[C@@H]2CCC[N@@H+](CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001254038112 1039969012 /nfs/dbraw/zinc/96/90/12/1039969012.db2.gz YSHNYGXZVFLESJ-XMMPIXPASA-N 2 1 394.559 3.865 20 0 GHADMP COc1cccc([C@H]2CCC[N@H+]2CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001254040147 1039970173 /nfs/dbraw/zinc/97/01/73/1039970173.db2.gz QFHPXKUXQMVGPX-HSZRJFAPSA-N 2 1 380.532 3.859 20 0 GHADMP OC1(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254040106 1039970532 /nfs/dbraw/zinc/97/05/32/1039970532.db2.gz OEXHDNMCULOTIY-DEOSSOPVSA-N 2 1 394.559 3.695 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254271788 1040117488 /nfs/dbraw/zinc/11/74/88/1040117488.db2.gz XSVSNNWOFVIVSV-CGXNFDGLSA-N 2 1 383.333 3.636 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254271788 1040117496 /nfs/dbraw/zinc/11/74/96/1040117496.db2.gz XSVSNNWOFVIVSV-CGXNFDGLSA-N 2 1 383.333 3.636 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C1CCC3(CC3)CC1)CC2 ZINC001254443127 1040236331 /nfs/dbraw/zinc/23/63/31/1040236331.db2.gz SLEGFUGTVVNSRE-JOCHJYFZSA-N 2 1 390.612 3.939 20 0 GHADMP CSCC[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001254511743 1040291466 /nfs/dbraw/zinc/29/14/66/1040291466.db2.gz FCMCPXQXXLGJQJ-CTNGQTDRSA-N 2 1 385.577 3.974 20 0 GHADMP CSCC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001254511743 1040291485 /nfs/dbraw/zinc/29/14/85/1040291485.db2.gz FCMCPXQXXLGJQJ-CTNGQTDRSA-N 2 1 385.577 3.974 20 0 GHADMP Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522598 1040295678 /nfs/dbraw/zinc/29/56/78/1040295678.db2.gz OZKJEUGZULMERJ-UGKGYDQZSA-N 2 1 398.595 3.529 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254531420 1040302273 /nfs/dbraw/zinc/30/22/73/1040302273.db2.gz FVGWHBKYHSALGQ-LPHOPBHVSA-N 2 1 380.374 3.612 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254531420 1040302281 /nfs/dbraw/zinc/30/22/81/1040302281.db2.gz FVGWHBKYHSALGQ-LPHOPBHVSA-N 2 1 380.374 3.612 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023301 1040515566 /nfs/dbraw/zinc/51/55/66/1040515566.db2.gz UWZAJEVNISNULY-XMMPIXPASA-N 2 1 395.547 3.665 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023301 1040515578 /nfs/dbraw/zinc/51/55/78/1040515578.db2.gz UWZAJEVNISNULY-XMMPIXPASA-N 2 1 395.547 3.665 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cn2)c1 ZINC001235039801 1040534261 /nfs/dbraw/zinc/53/42/61/1040534261.db2.gz IHVPXWVORYZPIR-YLJYHZDGSA-N 2 1 391.437 3.578 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1I ZINC001235153980 1040645725 /nfs/dbraw/zinc/64/57/25/1040645725.db2.gz GTSGNMJFIBECFE-SFHVURJKSA-N 2 1 398.332 3.954 20 0 GHADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001462481680 1070290471 /nfs/dbraw/zinc/29/04/71/1070290471.db2.gz OYBRPQWTHOZJFB-HOJAQTOUSA-N 2 1 379.589 3.876 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235227317 1040707560 /nfs/dbraw/zinc/70/75/60/1040707560.db2.gz HEQGFTMCPUISGB-QFIPXVFZSA-N 2 1 383.511 3.749 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cc(I)cs3)CC2)C1 ZINC001278831168 1040710817 /nfs/dbraw/zinc/71/08/17/1040710817.db2.gz VQFVHWZOWSULGN-UHFFFAOYSA-N 2 1 390.334 3.661 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc(I)cs3)CC2)C1 ZINC001278831168 1040710830 /nfs/dbraw/zinc/71/08/30/1040710830.db2.gz VQFVHWZOWSULGN-UHFFFAOYSA-N 2 1 390.334 3.661 20 0 GHADMP CSc1ncc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(NC2CCCC2)n1 ZINC001235230833 1040711404 /nfs/dbraw/zinc/71/14/04/1040711404.db2.gz QYCCDMYQQQFTMW-IBGZPJMESA-N 2 1 389.613 3.907 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022595 1040734313 /nfs/dbraw/zinc/73/43/13/1040734313.db2.gz JMBSVKOPGNULNN-OAQYLSRUSA-N 2 1 382.573 3.971 20 0 GHADMP c1c(CN2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c2cccc3c2n1CC[NH2+]C3 ZINC001235294899 1040764863 /nfs/dbraw/zinc/76/48/63/1040764863.db2.gz QVQORORAVCSIOB-ZRZAMGCNSA-N 2 1 386.543 3.593 20 0 GHADMP c1c(C[N@H+]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c2cccc3c2n1CC[NH2+]C3 ZINC001235294899 1040764877 /nfs/dbraw/zinc/76/48/77/1040764877.db2.gz QVQORORAVCSIOB-ZRZAMGCNSA-N 2 1 386.543 3.593 20 0 GHADMP c1c(C[N@@H+]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)c2cccc3c2n1CC[NH2+]C3 ZINC001235294899 1040764891 /nfs/dbraw/zinc/76/48/91/1040764891.db2.gz QVQORORAVCSIOB-ZRZAMGCNSA-N 2 1 386.543 3.593 20 0 GHADMP NCc1ncn([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001255070670 1040765381 /nfs/dbraw/zinc/76/53/81/1040765381.db2.gz YDHUSJBKJZOTAY-CQOQZXRMSA-N 2 1 387.531 3.674 20 0 GHADMP [NH3+]Cc1ncn([C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001255070670 1040765394 /nfs/dbraw/zinc/76/53/94/1040765394.db2.gz YDHUSJBKJZOTAY-CQOQZXRMSA-N 2 1 387.531 3.674 20 0 GHADMP [NH3+]Cc1ncn([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC001255070670 1040765413 /nfs/dbraw/zinc/76/54/13/1040765413.db2.gz YDHUSJBKJZOTAY-CQOQZXRMSA-N 2 1 387.531 3.674 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(C)c(Cl)c1)C2 ZINC001235321683 1040793432 /nfs/dbraw/zinc/79/34/32/1040793432.db2.gz RCKUWUKPNGSZRB-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(Cl)cs1)C2 ZINC001235324056 1040794060 /nfs/dbraw/zinc/79/40/60/1040794060.db2.gz CZZVHXIWLAHJOG-QFBILLFUSA-N 2 1 382.957 3.546 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(C)cc(Cl)c1)C2 ZINC001235325721 1040794845 /nfs/dbraw/zinc/79/48/45/1040794845.db2.gz OBEYHNPAULDWFR-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](CCc1cccc(Cl)c1)C2 ZINC001235324878 1040794971 /nfs/dbraw/zinc/79/49/71/1040794971.db2.gz MCQJKRZOGYGBTE-SIKLNZKXSA-N 2 1 390.955 3.527 20 0 GHADMP Fc1c(C[N@@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Br)ccc1C(F)(F)F ZINC001235339110 1040807061 /nfs/dbraw/zinc/80/70/61/1040807061.db2.gz CWGFCRQQZFYTRN-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP Fc1c(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)c(Br)ccc1C(F)(F)F ZINC001235339110 1040807074 /nfs/dbraw/zinc/80/70/74/1040807074.db2.gz CWGFCRQQZFYTRN-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP FC(F)(F)Oc1cccc(Br)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235340993 1040810275 /nfs/dbraw/zinc/81/02/75/1040810275.db2.gz WXZSBGXIIVWCEP-UHFFFAOYSA-N 2 1 393.247 3.779 20 0 GHADMP CCCOc1ccc(Br)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1F ZINC001235340057 1040811252 /nfs/dbraw/zinc/81/12/52/1040811252.db2.gz LPGDPTWQLRHRRJ-UHFFFAOYSA-N 2 1 385.321 3.808 20 0 GHADMP Cc1c(Br)cc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1Br ZINC001235342539 1040813780 /nfs/dbraw/zinc/81/37/80/1040813780.db2.gz XKFMEJKDKWTHMB-LBPRGKRZSA-N 2 1 388.147 3.561 20 0 GHADMP CC(=O)N(C)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255123526 1040815693 /nfs/dbraw/zinc/81/56/93/1040815693.db2.gz CIDTXJLOBFDSIJ-ULPXVVAUSA-N 2 1 377.532 3.955 20 0 GHADMP CC(=O)N(C)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255123526 1040815699 /nfs/dbraw/zinc/81/56/99/1040815699.db2.gz CIDTXJLOBFDSIJ-ULPXVVAUSA-N 2 1 377.532 3.955 20 0 GHADMP O=C(C1CCCC1)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255126606 1040821074 /nfs/dbraw/zinc/82/10/74/1040821074.db2.gz OIRVBWYJIXJXRU-BKFWDETESA-N 2 1 395.591 3.953 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](CCCc3ccc(Cl)c(Cl)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235349151 1040823732 /nfs/dbraw/zinc/82/37/32/1040823732.db2.gz KVRDNRSOKQBORT-JXFKEZNVSA-N 2 1 399.362 3.791 20 0 GHADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1O ZINC001255130968 1040826050 /nfs/dbraw/zinc/82/60/50/1040826050.db2.gz KZLVCCISJFIDCP-OWZKRDHZSA-N 2 1 382.504 3.695 20 0 GHADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1O ZINC001255130968 1040826056 /nfs/dbraw/zinc/82/60/56/1040826056.db2.gz KZLVCCISJFIDCP-OWZKRDHZSA-N 2 1 382.504 3.695 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132175 1040829535 /nfs/dbraw/zinc/82/95/35/1040829535.db2.gz SCXMATGHOFKMIC-ZSVDOFLOSA-N 2 1 385.552 3.853 20 0 GHADMP CN(CC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(=O)OC(C)(C)C ZINC001255135322 1040837214 /nfs/dbraw/zinc/83/72/14/1040837214.db2.gz ABDNFJZVFMZGRB-AERCQKQUSA-N 2 1 387.568 3.981 20 0 GHADMP CN(CC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(=O)OC(C)(C)C ZINC001255135322 1040837227 /nfs/dbraw/zinc/83/72/27/1040837227.db2.gz ABDNFJZVFMZGRB-AERCQKQUSA-N 2 1 387.568 3.981 20 0 GHADMP CN(CC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)OC(C)(C)C ZINC001255135322 1040837236 /nfs/dbraw/zinc/83/72/36/1040837236.db2.gz ABDNFJZVFMZGRB-AERCQKQUSA-N 2 1 387.568 3.981 20 0 GHADMP CN(CC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)OC(C)(C)C ZINC001255135322 1040837247 /nfs/dbraw/zinc/83/72/47/1040837247.db2.gz ABDNFJZVFMZGRB-AERCQKQUSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136432 1040839974 /nfs/dbraw/zinc/83/99/74/1040839974.db2.gz LBQBPHYPBHPYOG-LFZDHENXSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136432 1040839982 /nfs/dbraw/zinc/83/99/82/1040839982.db2.gz LBQBPHYPBHPYOG-LFZDHENXSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136432 1040839989 /nfs/dbraw/zinc/83/99/89/1040839989.db2.gz LBQBPHYPBHPYOG-LFZDHENXSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136432 1040840003 /nfs/dbraw/zinc/84/00/03/1040840003.db2.gz LBQBPHYPBHPYOG-LFZDHENXSA-N 2 1 382.470 3.817 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)cc2)cc1 ZINC001235366710 1040859681 /nfs/dbraw/zinc/85/96/81/1040859681.db2.gz FPPWTWVAAFNITP-AGILITTLSA-N 2 1 377.532 3.716 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369366 1040869149 /nfs/dbraw/zinc/86/91/49/1040869149.db2.gz MGAYELBKDMWCJC-ILBGXUMGSA-N 2 1 386.543 3.934 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ccn1 ZINC001255150718 1040871244 /nfs/dbraw/zinc/87/12/44/1040871244.db2.gz XYJYWWPEBCPMLW-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ccn1 ZINC001255150718 1040871252 /nfs/dbraw/zinc/87/12/52/1040871252.db2.gz XYJYWWPEBCPMLW-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ccn1 ZINC001255150718 1040871257 /nfs/dbraw/zinc/87/12/57/1040871257.db2.gz XYJYWWPEBCPMLW-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151789 1040875374 /nfs/dbraw/zinc/87/53/74/1040875374.db2.gz YGQVVNLSQVPNQQ-KHUIQGCPSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151789 1040875385 /nfs/dbraw/zinc/87/53/85/1040875385.db2.gz YGQVVNLSQVPNQQ-KHUIQGCPSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151789 1040875392 /nfs/dbraw/zinc/87/53/92/1040875392.db2.gz YGQVVNLSQVPNQQ-KHUIQGCPSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151789 1040875405 /nfs/dbraw/zinc/87/54/05/1040875405.db2.gz YGQVVNLSQVPNQQ-KHUIQGCPSA-N 2 1 390.527 3.954 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(-c4cncnc4)cc2)CC3)cc1 ZINC001235375176 1040886172 /nfs/dbraw/zinc/88/61/72/1040886172.db2.gz ZARDHNKHDIHLCY-RPBOFIJWSA-N 2 1 384.527 3.897 20 0 GHADMP COc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC001235422565 1040924994 /nfs/dbraw/zinc/92/49/94/1040924994.db2.gz DCEFMSVMCGOHMU-ZIAGYGMSSA-N 2 1 385.321 3.808 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C(F)(F)F)c1OC ZINC001235429605 1040930878 /nfs/dbraw/zinc/93/08/78/1040930878.db2.gz USPKPPRFBKIDNG-HUUCEWRRSA-N 2 1 386.458 3.934 20 0 GHADMP Brc1cccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]nc21 ZINC001235429632 1040931098 /nfs/dbraw/zinc/93/10/98/1040931098.db2.gz UUKNPLORSAABCN-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Nc1cc(Cl)c(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430774 1040932352 /nfs/dbraw/zinc/93/23/52/1040932352.db2.gz XVNBICFGKAZDFC-CHWSQXEVSA-N 2 1 386.765 3.896 20 0 GHADMP C[N@H+](Cc1scc(Br)c1Br)CC1CC[NH2+]CC1 ZINC001235433331 1040934509 /nfs/dbraw/zinc/93/45/09/1040934509.db2.gz SXIXLXZFHWYWBY-UHFFFAOYSA-N 2 1 382.165 3.705 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001255352266 1040957472 /nfs/dbraw/zinc/95/74/72/1040957472.db2.gz JULVDERQQBNGNP-VIRXGOPMSA-N 2 1 390.527 3.685 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380195 1040971513 /nfs/dbraw/zinc/97/15/13/1040971513.db2.gz INQCZXOBACRSFN-LJQANCHMSA-N 2 1 375.557 3.934 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@@H]2CC[N@@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235519634 1040973208 /nfs/dbraw/zinc/97/32/08/1040973208.db2.gz MTSAPDNXIKMZMJ-FYYLOGMGSA-N 2 1 387.568 3.644 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235519634 1040973219 /nfs/dbraw/zinc/97/32/19/1040973219.db2.gz MTSAPDNXIKMZMJ-FYYLOGMGSA-N 2 1 387.568 3.644 20 0 GHADMP CC[C@H]1[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001235525311 1040975329 /nfs/dbraw/zinc/97/53/29/1040975329.db2.gz IGYZYPUSLYKQPA-IRLDBZIGSA-N 2 1 387.593 3.539 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386805 1040975575 /nfs/dbraw/zinc/97/55/75/1040975575.db2.gz BXGQWKHTCCSJAH-QUCCMNQESA-N 2 1 375.557 3.792 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@H]3CN(c4ccccc4)CCO3)CC2)cc1 ZINC001255388981 1040977042 /nfs/dbraw/zinc/97/70/42/1040977042.db2.gz AYZSZVAFGSICBA-UPVQGACJSA-N 2 1 379.548 3.536 20 0 GHADMP O=C1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@H](c2ccccc2)N1 ZINC001255389676 1040978615 /nfs/dbraw/zinc/97/86/15/1040978615.db2.gz PQVLKASNCAKFNW-GPXNEJASSA-N 2 1 377.532 3.651 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255391685 1040980711 /nfs/dbraw/zinc/98/07/11/1040980711.db2.gz BLFXSVJTCMOTBU-HSZRJFAPSA-N 2 1 393.575 4.000 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@@H](C)O)[C@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255399430 1040985121 /nfs/dbraw/zinc/98/51/21/1040985121.db2.gz RVDOCTFPXVBDNE-QPPBQGQZSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccc(CC[NH+](C[C@@H](C)O)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255399430 1040985131 /nfs/dbraw/zinc/98/51/31/1040985131.db2.gz RVDOCTFPXVBDNE-QPPBQGQZSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccc(CC[NH+](C[C@@H](C)O)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255399430 1040985138 /nfs/dbraw/zinc/98/51/38/1040985138.db2.gz RVDOCTFPXVBDNE-QPPBQGQZSA-N 2 1 396.575 3.975 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400575 1040986888 /nfs/dbraw/zinc/98/68/88/1040986888.db2.gz MGBYANCEOFSJDO-BDTNDASRSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400575 1040986889 /nfs/dbraw/zinc/98/68/89/1040986889.db2.gz MGBYANCEOFSJDO-BDTNDASRSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400575 1040986891 /nfs/dbraw/zinc/98/68/91/1040986891.db2.gz MGBYANCEOFSJDO-BDTNDASRSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400575 1040986895 /nfs/dbraw/zinc/98/68/95/1040986895.db2.gz MGBYANCEOFSJDO-BDTNDASRSA-N 2 1 399.579 3.982 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(C[C@H]([NH3+])Cc3ccccc3)C[C@@H]21 ZINC001235560222 1040988031 /nfs/dbraw/zinc/98/80/31/1040988031.db2.gz OPYMLMSPRLSPNF-YXPKMTABSA-N 2 1 383.605 3.850 20 0 GHADMP O=C(NC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)C1CCCC1 ZINC001255405442 1040993016 /nfs/dbraw/zinc/99/30/16/1040993016.db2.gz NLOYWDROUYHJGM-HSZRJFAPSA-N 2 1 383.580 3.812 20 0 GHADMP c1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3[C@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255406421 1040994119 /nfs/dbraw/zinc/99/41/19/1040994119.db2.gz SBTGTCYBPPQBMU-SDHOMARFSA-N 2 1 375.560 4.000 20 0 GHADMP c1ccc(CN2C[C@@H]3C[C@H]2C[NH+]3[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255406421 1040994121 /nfs/dbraw/zinc/99/41/21/1040994121.db2.gz SBTGTCYBPPQBMU-SDHOMARFSA-N 2 1 375.560 4.000 20 0 GHADMP c1ccc(CN2C[C@@H]3C[C@H]2C[NH+]3[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255406421 1040994124 /nfs/dbraw/zinc/99/41/24/1040994124.db2.gz SBTGTCYBPPQBMU-SDHOMARFSA-N 2 1 375.560 4.000 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409045 1040996526 /nfs/dbraw/zinc/99/65/26/1040996526.db2.gz FHMSVPUIHWHBJS-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409045 1040996527 /nfs/dbraw/zinc/99/65/27/1040996527.db2.gz FHMSVPUIHWHBJS-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409045 1040996528 /nfs/dbraw/zinc/99/65/28/1040996528.db2.gz FHMSVPUIHWHBJS-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001255409726 1040998525 /nfs/dbraw/zinc/99/85/25/1040998525.db2.gz LLYZZJVRYJVRNP-NRFANRHFSA-N 2 1 394.563 3.703 20 0 GHADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCc4cc(-c5ccncc5)ccc43)CC2)O1 ZINC001235632074 1041063080 /nfs/dbraw/zinc/06/30/80/1041063080.db2.gz NPYQJMPKWSFTEY-NRFANRHFSA-N 2 1 377.532 3.753 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C2CCC(C(F)(F)F)CC2)CC3)cn1 ZINC001255514785 1041103800 /nfs/dbraw/zinc/10/38/00/1041103800.db2.gz HCYBVXHFURXJQY-UHFFFAOYSA-N 2 1 384.490 3.972 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C2CCC(C(F)(F)F)CC2)CC3)cn1 ZINC001255514785 1041103806 /nfs/dbraw/zinc/10/38/06/1041103806.db2.gz HCYBVXHFURXJQY-UHFFFAOYSA-N 2 1 384.490 3.972 20 0 GHADMP FC(F)(F)C1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001255519282 1041108712 /nfs/dbraw/zinc/10/87/12/1041108712.db2.gz UAXQAQWKYIYESO-YNIZLOQISA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)C1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001255519282 1041108721 /nfs/dbraw/zinc/10/87/21/1041108721.db2.gz UAXQAQWKYIYESO-YNIZLOQISA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)C1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001255519282 1041108727 /nfs/dbraw/zinc/10/87/27/1041108727.db2.gz UAXQAQWKYIYESO-YNIZLOQISA-N 2 1 397.485 3.725 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CCOC(C)(C)C1)CC2 ZINC001255543578 1041121253 /nfs/dbraw/zinc/12/12/53/1041121253.db2.gz HBOPAOAWUAPJAI-ROUUACIJSA-N 2 1 378.582 3.761 20 0 GHADMP C[NH2+]CC1CC[NH+](Cc2c(Br)cc(C)cc2Br)CC1 ZINC001235679937 1041141377 /nfs/dbraw/zinc/14/13/77/1041141377.db2.gz OXTVRBWGOTVVLS-UHFFFAOYSA-N 2 1 390.163 3.951 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255610895 1041167949 /nfs/dbraw/zinc/16/79/49/1041167949.db2.gz IDZFPQIGTCGCLJ-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255610895 1041167958 /nfs/dbraw/zinc/16/79/58/1041167958.db2.gz IDZFPQIGTCGCLJ-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255610895 1041167966 /nfs/dbraw/zinc/16/79/66/1041167966.db2.gz IDZFPQIGTCGCLJ-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)c1C ZINC001235794388 1041292388 /nfs/dbraw/zinc/29/23/88/1041292388.db2.gz FODABLCPGUEITC-SFHVURJKSA-N 2 1 390.325 3.616 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001255863569 1041354034 /nfs/dbraw/zinc/35/40/34/1041354034.db2.gz LLYAVJNGOPWWHK-QGZVFWFLSA-N 2 1 381.536 3.583 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255903197 1041384781 /nfs/dbraw/zinc/38/47/81/1041384781.db2.gz GOMYMOFVPYLWPO-VAMGGRTRSA-N 2 1 388.556 3.553 20 0 GHADMP Fc1ccc([C@@H]2CSCC[N@@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235864905 1041397656 /nfs/dbraw/zinc/39/76/56/1041397656.db2.gz KILFIEVHBFUAKZ-QFIPXVFZSA-N 2 1 385.552 3.521 20 0 GHADMP Fc1ccc([C@@H]2CSCC[N@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235864905 1041397670 /nfs/dbraw/zinc/39/76/70/1041397670.db2.gz KILFIEVHBFUAKZ-QFIPXVFZSA-N 2 1 385.552 3.521 20 0 GHADMP Clc1ccc([C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C2)cc1Cl ZINC001235882896 1041409208 /nfs/dbraw/zinc/40/92/08/1041409208.db2.gz RVCMJGIRDSFAAL-QGZVFWFLSA-N 2 1 391.346 3.788 20 0 GHADMP [NH3+]CCNC(=O)c1cccc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)c1 ZINC001235884016 1041410395 /nfs/dbraw/zinc/41/03/95/1041410395.db2.gz FFZUVEJENYAWSO-MRXNPFEDSA-N 2 1 392.330 3.671 20 0 GHADMP COCCC[N@@H+](Cc1c[nH]c2cccc(Br)c12)C1CC[NH2+]CC1 ZINC001235936576 1041440832 /nfs/dbraw/zinc/44/08/32/1041440832.db2.gz CZTMCBNFTLMDPK-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H]2O[C@H](COCc3csc(C)n3)CC[C@H]21 ZINC001255962207 1041441199 /nfs/dbraw/zinc/44/11/99/1041441199.db2.gz HOPPBHJVJVYQAI-UMSONDCASA-N 2 1 395.613 3.710 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001255962937 1041444341 /nfs/dbraw/zinc/44/43/41/1041444341.db2.gz LTHRUDZIBCUIPL-LEWJYISDSA-N 2 1 389.584 3.700 20 0 GHADMP [NH3+]CCNC(=O)c1cccc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c1 ZINC001235947769 1041454394 /nfs/dbraw/zinc/45/43/94/1041454394.db2.gz FTGOPZQVOOTBAU-UHFFFAOYSA-N 2 1 387.527 3.620 20 0 GHADMP C[N@@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235958320 1041466693 /nfs/dbraw/zinc/46/66/93/1041466693.db2.gz ZFNXXJXWWQJXGB-GFCCVEGCSA-N 2 1 381.236 3.779 20 0 GHADMP C[N@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235958320 1041466708 /nfs/dbraw/zinc/46/67/08/1041466708.db2.gz ZFNXXJXWWQJXGB-GFCCVEGCSA-N 2 1 381.236 3.779 20 0 GHADMP CCOC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001256026029 1041482283 /nfs/dbraw/zinc/48/22/83/1041482283.db2.gz SDKUGLWEGXGRTK-GUDVDZBRSA-N 2 1 379.932 3.643 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235979247 1041484748 /nfs/dbraw/zinc/48/47/48/1041484748.db2.gz XEVWVJBRFGZWTJ-ZHACJKMWSA-N 2 1 376.500 3.510 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001256033302 1041485175 /nfs/dbraw/zinc/48/51/75/1041485175.db2.gz WTDHVKMRANCCLE-QFIPXVFZSA-N 2 1 399.579 3.904 20 0 GHADMP CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC001236007914 1041498942 /nfs/dbraw/zinc/49/89/42/1041498942.db2.gz FSDOAFIWGAKAJH-GOTSBHOMSA-N 2 1 378.516 3.501 20 0 GHADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)n2)cc1 ZINC001236010249 1041501600 /nfs/dbraw/zinc/50/16/00/1041501600.db2.gz PVYBLGGDLJPMIE-BWKNWUBXSA-N 2 1 385.511 3.730 20 0 GHADMP COc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)n2)cc1 ZINC001236010249 1041501615 /nfs/dbraw/zinc/50/16/15/1041501615.db2.gz PVYBLGGDLJPMIE-BWKNWUBXSA-N 2 1 385.511 3.730 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013123 1041506591 /nfs/dbraw/zinc/50/65/91/1041506591.db2.gz XRJNEWNCXPJTJB-NOZRDPDXSA-N 2 1 386.543 3.521 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236013123 1041506597 /nfs/dbraw/zinc/50/65/97/1041506597.db2.gz XRJNEWNCXPJTJB-NOZRDPDXSA-N 2 1 386.543 3.521 20 0 GHADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001256074395 1041508109 /nfs/dbraw/zinc/50/81/09/1041508109.db2.gz WRRILCVWLOLHSG-XMMPIXPASA-N 2 1 380.532 3.690 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)cc1 ZINC001236079048 1041524520 /nfs/dbraw/zinc/52/45/20/1041524520.db2.gz KTCYRBPGLYFZLM-QHCPKHFHSA-N 2 1 378.564 3.618 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001236093024 1041529048 /nfs/dbraw/zinc/52/90/48/1041529048.db2.gz DJOSZFBQXSTTMT-MRXNPFEDSA-N 2 1 379.570 3.615 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC001256127743 1041558238 /nfs/dbraw/zinc/55/82/38/1041558238.db2.gz MXDJIHCOCIHRNH-INIZCTEOSA-N 3 1 396.417 3.782 20 0 GHADMP C[C@H](c1ccccc1)[N@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)[C@@H]1CN2CCC1CC2 ZINC001236159745 1041582450 /nfs/dbraw/zinc/58/24/50/1041582450.db2.gz XNRNOYBGQQAWBI-XWDORNJCSA-N 2 1 377.523 3.635 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F)[C@@H]1CN2CCC1CC2 ZINC001236159745 1041582469 /nfs/dbraw/zinc/58/24/69/1041582469.db2.gz XNRNOYBGQQAWBI-XWDORNJCSA-N 2 1 377.523 3.635 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)c1OC ZINC001236232832 1041635072 /nfs/dbraw/zinc/63/50/72/1041635072.db2.gz WRBSQRTZUKHNLQ-UHFFFAOYSA-N 2 1 382.504 3.754 20 0 GHADMP COCCCOc1cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1OC ZINC001236300975 1041664939 /nfs/dbraw/zinc/66/49/39/1041664939.db2.gz SJYPBABYBKGKAU-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COCCCOc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1OC ZINC001236300975 1041664947 /nfs/dbraw/zinc/66/49/47/1041664947.db2.gz SJYPBABYBKGKAU-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP Brc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC001236372860 1041686496 /nfs/dbraw/zinc/68/64/96/1041686496.db2.gz DXNGUPUNTXMNPI-AWEZNQCLSA-N 2 1 395.341 3.922 20 0 GHADMP Brc1ccn2cc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)nc2c1 ZINC001236375278 1041687580 /nfs/dbraw/zinc/68/75/80/1041687580.db2.gz ISRPOSYAGJJENO-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP Brc1ccn2cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)nc2c1 ZINC001236375278 1041687592 /nfs/dbraw/zinc/68/75/92/1041687592.db2.gz ISRPOSYAGJJENO-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP COC(=O)c1cc(F)ccc1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236386204 1041693143 /nfs/dbraw/zinc/69/31/43/1041693143.db2.gz NWLIFAPJEQFWOY-UHFFFAOYSA-N 2 1 388.458 3.753 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2coc3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236466230 1041728183 /nfs/dbraw/zinc/72/81/83/1041728183.db2.gz YOUYSXFNAUEHQI-UHFFFAOYSA-N 2 1 378.472 3.974 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2coc3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236466230 1041728191 /nfs/dbraw/zinc/72/81/91/1041728191.db2.gz YOUYSXFNAUEHQI-UHFFFAOYSA-N 2 1 378.472 3.974 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cc(OC)ccc2C)C2CC[NH2+]CC2)c1 ZINC001236467322 1041729228 /nfs/dbraw/zinc/72/92/28/1041729228.db2.gz NYVZCCFBEPGJFP-UHFFFAOYSA-N 2 1 382.504 3.544 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cc(OC)ccc2C)C2CC[NH2+]CC2)c1 ZINC001236467322 1041729234 /nfs/dbraw/zinc/72/92/34/1041729234.db2.gz NYVZCCFBEPGJFP-UHFFFAOYSA-N 2 1 382.504 3.544 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)c1 ZINC001236483985 1041735440 /nfs/dbraw/zinc/73/54/40/1041735440.db2.gz TWMWTELCBBQTBE-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)c1 ZINC001236483985 1041735444 /nfs/dbraw/zinc/73/54/44/1041735444.db2.gz TWMWTELCBBQTBE-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COc1c(C)c[nH+]c(CN(Cc2ccc(F)cc2F)C2CC[NH2+]CC2)c1C ZINC001236504927 1041744320 /nfs/dbraw/zinc/74/43/20/1041744320.db2.gz RBIVPZXAIWAETR-UHFFFAOYSA-N 2 1 375.463 3.739 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256463456 1041744432 /nfs/dbraw/zinc/74/44/32/1041744432.db2.gz PMNSHLRMOOUPFB-VQIMIIECSA-N 2 1 391.531 3.864 20 0 GHADMP Brc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c2nsnc21 ZINC001236646190 1041801219 /nfs/dbraw/zinc/80/12/19/1041801219.db2.gz FAVBOUPEDDILES-UHFFFAOYSA-N 2 1 381.343 3.560 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccc5sccc54)C3)O2)CC1 ZINC001236679475 1041825299 /nfs/dbraw/zinc/82/52/99/1041825299.db2.gz IEKSYYGBIUADHI-NFBKMPQASA-N 2 1 399.604 3.662 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4cccc5sccc54)C3)O2)CC1 ZINC001236679475 1041825309 /nfs/dbraw/zinc/82/53/09/1041825309.db2.gz IEKSYYGBIUADHI-NFBKMPQASA-N 2 1 399.604 3.662 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709565 1041847024 /nfs/dbraw/zinc/84/70/24/1041847024.db2.gz IXLGJQRUAKHYKP-MXVIHJGJSA-N 2 1 382.504 3.739 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccnc(OC(F)F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711923 1041848343 /nfs/dbraw/zinc/84/83/43/1041848343.db2.gz XBCFQFIVRQLMQE-IYARVYRRSA-N 2 1 391.462 3.964 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@@H]12 ZINC001236822026 1041916893 /nfs/dbraw/zinc/91/68/93/1041916893.db2.gz XVRGVVNNTZHBSA-BMGDILEWSA-N 2 1 378.358 3.609 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@@H]12 ZINC001236822026 1041916896 /nfs/dbraw/zinc/91/68/96/1041916896.db2.gz XVRGVVNNTZHBSA-BMGDILEWSA-N 2 1 378.358 3.609 20 0 GHADMP CCOc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)c1 ZINC001236838058 1041923464 /nfs/dbraw/zinc/92/34/64/1041923464.db2.gz LWPJOBSOYJFPJI-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3cccc(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236893960 1041943475 /nfs/dbraw/zinc/94/34/75/1041943475.db2.gz OXAPRWCMTURWCM-QFIPXVFZSA-N 2 1 393.575 3.902 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)c(Cl)c3)C2)nc1 ZINC001236908225 1041950867 /nfs/dbraw/zinc/95/08/67/1041950867.db2.gz DXQXJJJRZDISIN-QGZVFWFLSA-N 2 1 384.867 3.583 20 0 GHADMP C[NH+]1CCC2(C[NH+](Cc3cc(OC(F)F)ccc3Br)C2)CC1 ZINC001237238762 1042102013 /nfs/dbraw/zinc/10/20/13/1042102013.db2.gz CNUNKJNOHZIBLY-UHFFFAOYSA-N 2 1 375.257 3.578 20 0 GHADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccccc3N3CC[NH2+]CC3)CC[C@@H]1N2 ZINC001237250153 1042106882 /nfs/dbraw/zinc/10/68/82/1042106882.db2.gz SQFAKQHDVAHZMP-FPOVZHCZSA-N 2 1 382.939 3.533 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC1 ZINC001237251846 1042108034 /nfs/dbraw/zinc/10/80/34/1042108034.db2.gz YJCXKZLAQABNQY-UNMCSNQZSA-N 2 1 396.966 3.875 20 0 GHADMP Cc1cc(F)cc(C)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001237318596 1042144389 /nfs/dbraw/zinc/14/43/89/1042144389.db2.gz ITTGZXCEPPJOFW-UHFFFAOYSA-N 2 1 397.538 3.952 20 0 GHADMP Cc1cc(F)cc(C)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001237320121 1042145249 /nfs/dbraw/zinc/14/52/49/1042145249.db2.gz OZYZGKJUXMXHES-UHFFFAOYSA-N 2 1 397.538 3.952 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(-c3c(C)cccc3C)c2)CCC12C[NH2+]C2 ZINC001237431121 1042205262 /nfs/dbraw/zinc/20/52/62/1042205262.db2.gz NSTQEDRDPZXDMG-QFIPXVFZSA-N 2 1 392.543 3.945 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc3ccccn3n1)CC2 ZINC001237443995 1042209928 /nfs/dbraw/zinc/20/99/28/1042209928.db2.gz ZVCZEDJXLSBIHR-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP c1cc2c(c(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)c1)OCC2 ZINC001237741106 1042348319 /nfs/dbraw/zinc/34/83/19/1042348319.db2.gz BLRSDHDEYPKGSJ-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)c1)OCC2 ZINC001237741106 1042348326 /nfs/dbraw/zinc/34/83/26/1042348326.db2.gz BLRSDHDEYPKGSJ-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)c1)OCC2 ZINC001237741106 1042348332 /nfs/dbraw/zinc/34/83/32/1042348332.db2.gz BLRSDHDEYPKGSJ-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)c1)OCC2 ZINC001237741106 1042348339 /nfs/dbraw/zinc/34/83/39/1042348339.db2.gz BLRSDHDEYPKGSJ-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3c1OCC3)CC2 ZINC001237742147 1042348841 /nfs/dbraw/zinc/34/88/41/1042348841.db2.gz LAUDSHZOKNXWAT-UHFFFAOYSA-N 2 1 377.532 3.893 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC1 ZINC001237887122 1042410306 /nfs/dbraw/zinc/41/03/06/1042410306.db2.gz RRGHLXHEOWZOLP-UHFFFAOYSA-N 3 1 384.612 3.537 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001238014709 1042459799 /nfs/dbraw/zinc/45/97/99/1042459799.db2.gz QUPIBNIAXZCGCZ-UHFFFAOYSA-N 2 1 375.476 3.711 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2c(N)ccnc2F)CC3)c1 ZINC001238157249 1042506710 /nfs/dbraw/zinc/50/67/10/1042506710.db2.gz VLKWWKGVDCNGTI-UHFFFAOYSA-N 2 1 398.526 3.690 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238554835 1042638007 /nfs/dbraw/zinc/63/80/07/1042638007.db2.gz HIZLWIPBSJOWSS-UHFFFAOYSA-N 2 1 384.543 3.737 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001462657914 1070449256 /nfs/dbraw/zinc/44/92/56/1070449256.db2.gz ANDADMYYIKKEIO-HUUJSLGLSA-N 2 1 385.552 4.000 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001462657914 1070449261 /nfs/dbraw/zinc/44/92/61/1070449261.db2.gz ANDADMYYIKKEIO-HUUJSLGLSA-N 2 1 385.552 4.000 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256483702 1043418790 /nfs/dbraw/zinc/41/87/90/1043418790.db2.gz IUNYDCWOURJRNY-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256483702 1043418796 /nfs/dbraw/zinc/41/87/96/1043418796.db2.gz IUNYDCWOURJRNY-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256483702 1043418802 /nfs/dbraw/zinc/41/88/02/1043418802.db2.gz IUNYDCWOURJRNY-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256521732 1043445100 /nfs/dbraw/zinc/44/51/00/1043445100.db2.gz CEAWYGZETNUYSI-UYOCQKMUSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256521732 1043445108 /nfs/dbraw/zinc/44/51/08/1043445108.db2.gz CEAWYGZETNUYSI-UYOCQKMUSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256535773 1043475959 /nfs/dbraw/zinc/47/59/59/1043475959.db2.gz CXRPTISTYMNXDG-NSHGMRRFSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256535773 1043475972 /nfs/dbraw/zinc/47/59/72/1043475972.db2.gz CXRPTISTYMNXDG-NSHGMRRFSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]3C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536435 1043480475 /nfs/dbraw/zinc/48/04/75/1043480475.db2.gz HCDKSNZPKMYRAM-MSEOUXRUSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]3C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536435 1043480481 /nfs/dbraw/zinc/48/04/81/1043480481.db2.gz HCDKSNZPKMYRAM-MSEOUXRUSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256544624 1043499090 /nfs/dbraw/zinc/49/90/90/1043499090.db2.gz ZTLYGGJZHXSUHM-NMIHRBCNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256544624 1043499102 /nfs/dbraw/zinc/49/91/02/1043499102.db2.gz ZTLYGGJZHXSUHM-NMIHRBCNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256544624 1043499107 /nfs/dbraw/zinc/49/91/07/1043499107.db2.gz ZTLYGGJZHXSUHM-NMIHRBCNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256544624 1043499110 /nfs/dbraw/zinc/49/91/10/1043499110.db2.gz ZTLYGGJZHXSUHM-NMIHRBCNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256543229 1043500423 /nfs/dbraw/zinc/50/04/23/1043500423.db2.gz SFRFLXOIJVONJF-RYFAJOAYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256543229 1043500435 /nfs/dbraw/zinc/50/04/35/1043500435.db2.gz SFRFLXOIJVONJF-RYFAJOAYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256543229 1043500451 /nfs/dbraw/zinc/50/04/51/1043500451.db2.gz SFRFLXOIJVONJF-RYFAJOAYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256543229 1043500465 /nfs/dbraw/zinc/50/04/65/1043500465.db2.gz SFRFLXOIJVONJF-RYFAJOAYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC001256546424 1043505911 /nfs/dbraw/zinc/50/59/11/1043505911.db2.gz LKDQDVXISQLMQE-XODARUQUSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC001256546424 1043505922 /nfs/dbraw/zinc/50/59/22/1043505922.db2.gz LKDQDVXISQLMQE-XODARUQUSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH+]1Cc1ccccc1 ZINC001256546424 1043505944 /nfs/dbraw/zinc/50/59/44/1043505944.db2.gz LKDQDVXISQLMQE-XODARUQUSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH+]1Cc1ccccc1 ZINC001256546424 1043505959 /nfs/dbraw/zinc/50/59/59/1043505959.db2.gz LKDQDVXISQLMQE-XODARUQUSA-N 2 1 395.572 3.981 20 0 GHADMP CC[C@@H]1[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547844 1043509718 /nfs/dbraw/zinc/50/97/18/1043509718.db2.gz VVFAGWUQAJYJHS-OHCHIEETSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547844 1043509725 /nfs/dbraw/zinc/50/97/25/1043509725.db2.gz VVFAGWUQAJYJHS-OHCHIEETSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547844 1043509734 /nfs/dbraw/zinc/50/97/34/1043509734.db2.gz VVFAGWUQAJYJHS-OHCHIEETSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547844 1043509739 /nfs/dbraw/zinc/50/97/39/1043509739.db2.gz VVFAGWUQAJYJHS-OHCHIEETSA-N 2 1 383.580 3.905 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550874 1043514645 /nfs/dbraw/zinc/51/46/45/1043514645.db2.gz NXZKEVVKHGRVBP-GMAHTHKFSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550874 1043514660 /nfs/dbraw/zinc/51/46/60/1043514660.db2.gz NXZKEVVKHGRVBP-GMAHTHKFSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550874 1043514668 /nfs/dbraw/zinc/51/46/68/1043514668.db2.gz NXZKEVVKHGRVBP-GMAHTHKFSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550874 1043514683 /nfs/dbraw/zinc/51/46/83/1043514683.db2.gz NXZKEVVKHGRVBP-GMAHTHKFSA-N 2 1 378.564 3.955 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256551837 1043516889 /nfs/dbraw/zinc/51/68/89/1043516889.db2.gz VVHAOFHJXQDHSZ-URXFXBBRSA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256551837 1043516896 /nfs/dbraw/zinc/51/68/96/1043516896.db2.gz VVHAOFHJXQDHSZ-URXFXBBRSA-N 2 1 393.575 3.866 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559026 1043533300 /nfs/dbraw/zinc/53/33/00/1043533300.db2.gz XSEYAMRIOPQZMP-OTUUDDROSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559026 1043533308 /nfs/dbraw/zinc/53/33/08/1043533308.db2.gz XSEYAMRIOPQZMP-OTUUDDROSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559026 1043533317 /nfs/dbraw/zinc/53/33/17/1043533317.db2.gz XSEYAMRIOPQZMP-OTUUDDROSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559026 1043533319 /nfs/dbraw/zinc/53/33/19/1043533319.db2.gz XSEYAMRIOPQZMP-OTUUDDROSA-N 2 1 392.543 3.928 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256559148 1043533591 /nfs/dbraw/zinc/53/35/91/1043533591.db2.gz YLOKURGSXWRKDM-FXAWDEMLSA-N 2 1 384.499 3.512 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559148 1043533599 /nfs/dbraw/zinc/53/35/99/1043533599.db2.gz YLOKURGSXWRKDM-FXAWDEMLSA-N 2 1 384.499 3.512 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559533 1043535208 /nfs/dbraw/zinc/53/52/08/1043535208.db2.gz LSFIVWQIQPXMEW-OYNPSCLESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256559533 1043535219 /nfs/dbraw/zinc/53/52/19/1043535219.db2.gz LSFIVWQIQPXMEW-OYNPSCLESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559533 1043535227 /nfs/dbraw/zinc/53/52/27/1043535227.db2.gz LSFIVWQIQPXMEW-OYNPSCLESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559533 1043535234 /nfs/dbraw/zinc/53/52/34/1043535234.db2.gz LSFIVWQIQPXMEW-OYNPSCLESA-N 2 1 385.552 3.591 20 0 GHADMP COc1ccc(CC2([NH3+])CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001256602071 1043566000 /nfs/dbraw/zinc/56/60/00/1043566000.db2.gz OXGNVNXROFTFLD-UHFFFAOYSA-N 2 1 393.575 3.696 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1CCN(Cc2ccccc2)CC1 ZINC001256608510 1043572000 /nfs/dbraw/zinc/57/20/00/1043572000.db2.gz AANJBMDXNWMBQP-BJKOFHAPSA-N 2 1 391.559 3.775 20 0 GHADMP O=C1C[C@@]2(CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)CN1c1ccsc1 ZINC001256607111 1043572780 /nfs/dbraw/zinc/57/27/80/1043572780.db2.gz HTXGFXPWUAHDEF-HSZRJFAPSA-N 2 1 395.572 3.842 20 0 GHADMP O=C1C[C@@]2(CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)CN1c1ccsc1 ZINC001256607111 1043572788 /nfs/dbraw/zinc/57/27/88/1043572788.db2.gz HTXGFXPWUAHDEF-HSZRJFAPSA-N 2 1 395.572 3.842 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC001256788877 1043652091 /nfs/dbraw/zinc/65/20/91/1043652091.db2.gz BTPKNOMYYZNWOW-LOSJGSFVSA-N 2 1 393.575 3.834 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808108 1043663904 /nfs/dbraw/zinc/66/39/04/1043663904.db2.gz DSMDISNRPOJEQJ-CJRSTVEYSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808108 1043663908 /nfs/dbraw/zinc/66/39/08/1043663908.db2.gz DSMDISNRPOJEQJ-CJRSTVEYSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808108 1043663912 /nfs/dbraw/zinc/66/39/12/1043663912.db2.gz DSMDISNRPOJEQJ-CJRSTVEYSA-N 2 1 384.564 3.587 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001292323686 1043684218 /nfs/dbraw/zinc/68/42/18/1043684218.db2.gz DEKKOZRCOQVNPA-PWIZWCRZSA-N 2 1 387.593 3.603 20 0 GHADMP CN(C[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1)C(=O)OC(C)(C)C ZINC001256854968 1043703073 /nfs/dbraw/zinc/70/30/73/1043703073.db2.gz BZZIGUBSQZERSG-GOSISDBHSA-N 2 1 388.556 3.629 20 0 GHADMP CN(C[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1)C(=O)OC(C)(C)C ZINC001256854969 1043703678 /nfs/dbraw/zinc/70/36/78/1043703678.db2.gz BZZIGUBSQZERSG-SFHVURJKSA-N 2 1 388.556 3.629 20 0 GHADMP C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256857159 1043706371 /nfs/dbraw/zinc/70/63/71/1043706371.db2.gz PCPZTAKIDNTZJQ-ROUUACIJSA-N 2 1 388.556 3.676 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256862028 1043707828 /nfs/dbraw/zinc/70/78/28/1043707828.db2.gz GGPYNOOYBSXWJX-UHFFFAOYSA-N 2 1 398.938 3.552 20 0 GHADMP C[N@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001256864942 1043709526 /nfs/dbraw/zinc/70/95/26/1043709526.db2.gz NIQXUXKSOGKIKZ-IYARVYRRSA-N 2 1 388.556 3.818 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C[C@H](C)O1 ZINC001257091667 1043840344 /nfs/dbraw/zinc/84/03/44/1043840344.db2.gz GCEWHWYJOOFIMF-FCGDIQPGSA-N 2 1 378.582 3.759 20 0 GHADMP CC(C)[C@@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001257205436 1043935600 /nfs/dbraw/zinc/93/56/00/1043935600.db2.gz NRFSPORQYRTCLG-ROUUACIJSA-N 2 1 376.545 3.947 20 0 GHADMP CC(C)N1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001257217948 1043940031 /nfs/dbraw/zinc/94/00/31/1043940031.db2.gz SDSGDXAJWBPQPA-NRFANRHFSA-N 2 1 375.582 3.549 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001257217948 1043940037 /nfs/dbraw/zinc/94/00/37/1043940037.db2.gz SDSGDXAJWBPQPA-NRFANRHFSA-N 2 1 375.582 3.549 20 0 GHADMP CNC(=O)C[C@@H]1CC2(CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c2ccccc21 ZINC001257220315 1043941004 /nfs/dbraw/zinc/94/10/04/1043941004.db2.gz NKJMHUVRWZVRRZ-LJQANCHMSA-N 2 1 383.580 3.516 20 0 GHADMP COc1ccc(C[C@@H](C)N(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268560 1043949769 /nfs/dbraw/zinc/94/97/69/1043949769.db2.gz NFBZFOFPBZFATH-YKSBVNFPSA-N 2 1 382.548 3.849 20 0 GHADMP COc1ccc(C[C@@H](C)N(C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268560 1043949772 /nfs/dbraw/zinc/94/97/72/1043949772.db2.gz NFBZFOFPBZFATH-YKSBVNFPSA-N 2 1 382.548 3.849 20 0 GHADMP C[C@H]1CC([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257578271 1044062668 /nfs/dbraw/zinc/06/26/68/1044062668.db2.gz NBMKOQHYXDXELD-IRXDYDNUSA-N 2 1 388.556 3.508 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001293663244 1044282590 /nfs/dbraw/zinc/28/25/90/1044282590.db2.gz IQARKPDDXYNIOV-WTIAFYNJSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001293663244 1044282601 /nfs/dbraw/zinc/28/26/01/1044282601.db2.gz IQARKPDDXYNIOV-WTIAFYNJSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001293663244 1044282614 /nfs/dbraw/zinc/28/26/14/1044282614.db2.gz IQARKPDDXYNIOV-WTIAFYNJSA-N 2 1 383.580 3.905 20 0 GHADMP C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001257971056 1044291514 /nfs/dbraw/zinc/29/15/14/1044291514.db2.gz SLZRKCOSWSVHEE-LEWJYISDSA-N 2 1 387.568 3.681 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257973183 1044295519 /nfs/dbraw/zinc/29/55/19/1044295519.db2.gz KHSYMUIVKQAABA-NHCUHLMSSA-N 2 1 398.551 3.792 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC001462812630 1070563555 /nfs/dbraw/zinc/56/35/55/1070563555.db2.gz DSWVRDKQNVKMSN-SCCNAQOGSA-N 2 1 377.960 3.856 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H](C)C[C@@H](C)CC(C)C)CCC2 ZINC001258065666 1044378042 /nfs/dbraw/zinc/37/80/42/1044378042.db2.gz NMXLEEPXJPXICK-OALUTQOASA-N 2 1 376.589 3.752 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001258121047 1044408247 /nfs/dbraw/zinc/40/82/47/1044408247.db2.gz HQCNCTNHFJVJBG-KRWDZBQOSA-N 2 1 391.556 3.844 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCN(CCc3ccccc3)CC2)CC1 ZINC001258137875 1044424333 /nfs/dbraw/zinc/42/43/33/1044424333.db2.gz ORRPYMVTYRFJLU-HCGLCNNCSA-N 2 1 392.591 3.861 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258137875 1044424336 /nfs/dbraw/zinc/42/43/36/1044424336.db2.gz ORRPYMVTYRFJLU-HCGLCNNCSA-N 3 1 392.591 3.861 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258137875 1044424338 /nfs/dbraw/zinc/42/43/38/1044424338.db2.gz ORRPYMVTYRFJLU-HCGLCNNCSA-N 3 1 392.591 3.861 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC001258144069 1044431454 /nfs/dbraw/zinc/43/14/54/1044431454.db2.gz RROWONSAXPNUCC-LOSJGSFVSA-N 2 1 393.575 3.944 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC001258144069 1044431462 /nfs/dbraw/zinc/43/14/62/1044431462.db2.gz RROWONSAXPNUCC-LOSJGSFVSA-N 2 1 393.575 3.944 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)CC2)cc1 ZINC001258146068 1044434769 /nfs/dbraw/zinc/43/47/69/1044434769.db2.gz QYQDLRVKZXQDGC-AOYPEHQESA-N 2 1 389.587 3.900 20 0 GHADMP CC[N@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258148449 1044438874 /nfs/dbraw/zinc/43/88/74/1044438874.db2.gz IQGYAYHNDANYBC-UHFFFAOYSA-N 2 1 375.557 3.540 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258148449 1044438881 /nfs/dbraw/zinc/43/88/81/1044438881.db2.gz IQGYAYHNDANYBC-UHFFFAOYSA-N 2 1 375.557 3.540 20 0 GHADMP Fc1cccc(N2CCC([NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)CC2)c1 ZINC001258421762 1044554456 /nfs/dbraw/zinc/55/44/56/1044554456.db2.gz JACJOQSOIRTXGT-QZTJIDSGSA-N 2 1 385.552 3.920 20 0 GHADMP CCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001258709472 1044724516 /nfs/dbraw/zinc/72/45/16/1044724516.db2.gz HVURLJWSIRYEJE-AQNXPRMDSA-N 2 1 375.557 3.714 20 0 GHADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294743541 1044779495 /nfs/dbraw/zinc/77/94/95/1044779495.db2.gz BSWLGVIOZLKUPZ-MOPGFXCFSA-N 2 1 390.620 3.587 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC001258853098 1044793030 /nfs/dbraw/zinc/79/30/30/1044793030.db2.gz OXGOIRHQTZQGTC-GOSISDBHSA-N 2 1 398.547 3.898 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001298268691 1045758627 /nfs/dbraw/zinc/75/86/27/1045758627.db2.gz XDRUMAPOJUAVBD-PKTZIBPZSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001298268691 1045758636 /nfs/dbraw/zinc/75/86/36/1045758636.db2.gz XDRUMAPOJUAVBD-PKTZIBPZSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC001298268691 1045758651 /nfs/dbraw/zinc/75/86/51/1045758651.db2.gz XDRUMAPOJUAVBD-PKTZIBPZSA-N 2 1 391.559 3.503 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@@H+]4C3)CC2)cc1 ZINC001298695459 1045921297 /nfs/dbraw/zinc/92/12/97/1045921297.db2.gz CICDDRZZOUQKKW-UEVCKROQSA-N 2 1 383.580 3.575 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]4C[C@@H](C)C[N@H+]4C3)CC2)cc1 ZINC001298695459 1045921299 /nfs/dbraw/zinc/92/12/99/1045921299.db2.gz CICDDRZZOUQKKW-UEVCKROQSA-N 2 1 383.580 3.575 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](n2cncn2)C1 ZINC001261240220 1045935770 /nfs/dbraw/zinc/93/57/70/1045935770.db2.gz PTTYJFBFFXVZLW-XBYSBRQOSA-N 2 1 381.568 3.900 20 0 GHADMP OC[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC1CCOCC1 ZINC001262203049 1046212114 /nfs/dbraw/zinc/21/21/14/1046212114.db2.gz KFBDGUCMXOUGNL-XALAGWIPSA-N 2 1 386.580 3.587 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC000378903307 1046685485 /nfs/dbraw/zinc/68/54/85/1046685485.db2.gz ZLLWSFBAQGHMGH-UHFFFAOYSA-N 2 1 375.557 3.921 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001302057077 1046795342 /nfs/dbraw/zinc/79/53/42/1046795342.db2.gz BQHXYLADZYGETD-HXUWFJFHSA-N 2 1 389.971 3.781 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001302057077 1046795356 /nfs/dbraw/zinc/79/53/56/1046795356.db2.gz BQHXYLADZYGETD-HXUWFJFHSA-N 2 1 389.971 3.781 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)o1 ZINC001302173326 1046854545 /nfs/dbraw/zinc/85/45/45/1046854545.db2.gz XDSYQRPYGANZSL-INIZCTEOSA-N 2 1 384.307 3.681 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000382385898 1047029733 /nfs/dbraw/zinc/02/97/33/1047029733.db2.gz KUDNQDYFVDSRMB-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(O)ccc1F)CC2 ZINC001279191626 1047740575 /nfs/dbraw/zinc/74/05/75/1047740575.db2.gz UJDNPBCLDKHYTD-UHFFFAOYSA-N 2 1 375.513 3.784 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1C[C@H](C)O[C@@H](C)C1)C2 ZINC001279262337 1047751149 /nfs/dbraw/zinc/75/11/49/1047751149.db2.gz DCHHOANYZBFZIF-FIKGOQFSSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1C[C@H](C)O[C@@H](C)C1)C2 ZINC001279262337 1047751152 /nfs/dbraw/zinc/75/11/52/1047751152.db2.gz DCHHOANYZBFZIF-FIKGOQFSSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1C[C@H](C)O[C@@H](C)C1)C2 ZINC001279262337 1047751154 /nfs/dbraw/zinc/75/11/54/1047751154.db2.gz DCHHOANYZBFZIF-FIKGOQFSSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1C[C@H](C)O[C@@H](C)C1)C2 ZINC001279262337 1047751157 /nfs/dbraw/zinc/75/11/57/1047751157.db2.gz DCHHOANYZBFZIF-FIKGOQFSSA-N 2 1 377.598 3.943 20 0 GHADMP CCn1ccnc1C[N@H+]1CCCC2(CCN(Cc3cnc(Cl)s3)CC2)C1 ZINC001279278074 1047754831 /nfs/dbraw/zinc/75/48/31/1047754831.db2.gz SMWUMDXLEATZSZ-UHFFFAOYSA-N 2 1 393.988 3.891 20 0 GHADMP Brc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279311611 1047763252 /nfs/dbraw/zinc/76/32/52/1047763252.db2.gz BPJRNRGRXRXRLU-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP Brc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279311611 1047763255 /nfs/dbraw/zinc/76/32/55/1047763255.db2.gz BPJRNRGRXRXRLU-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP Brc1ccc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)nc1 ZINC001279391434 1047791645 /nfs/dbraw/zinc/79/16/45/1047791645.db2.gz FCHASZIHZPWYOS-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792798 /nfs/dbraw/zinc/79/27/98/1047792798.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1cc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792802 /nfs/dbraw/zinc/79/28/02/1047792802.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1cc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)ccc1Cl ZINC001279396938 1047792807 /nfs/dbraw/zinc/79/28/07/1047792807.db2.gz IOPDZJLSWIJGFS-HDICACEKSA-N 2 1 376.907 3.520 20 0 GHADMP Brc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279417278 1047798442 /nfs/dbraw/zinc/79/84/42/1047798442.db2.gz LRQRTKTZNSWCPY-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279417278 1047798444 /nfs/dbraw/zinc/79/84/44/1047798444.db2.gz LRQRTKTZNSWCPY-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279417278 1047798449 /nfs/dbraw/zinc/79/84/49/1047798449.db2.gz LRQRTKTZNSWCPY-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP O=c1cccc(C[N@H+]2CCCC3(CC[NH+](Cc4scnc4Cl)CC3)C2)[nH]1 ZINC001279420064 1047799439 /nfs/dbraw/zinc/79/94/39/1047799439.db2.gz RIOVJONDJSICIK-UHFFFAOYSA-N 2 1 392.956 3.775 20 0 GHADMP O=c1cccc(C[N@@H+]2CCCC3(CC[NH+](Cc4scnc4Cl)CC3)C2)[nH]1 ZINC001279420064 1047799440 /nfs/dbraw/zinc/79/94/40/1047799440.db2.gz RIOVJONDJSICIK-UHFFFAOYSA-N 2 1 392.956 3.775 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@]3(CC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279477325 1047819249 /nfs/dbraw/zinc/81/92/49/1047819249.db2.gz MBUMUTXLGCCMJJ-IBGZPJMESA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C)(C[NH+]2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279477325 1047819260 /nfs/dbraw/zinc/81/92/60/1047819260.db2.gz MBUMUTXLGCCMJJ-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C)(C[NH+]2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279477325 1047819266 /nfs/dbraw/zinc/81/92/66/1047819266.db2.gz MBUMUTXLGCCMJJ-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279477325 1047819273 /nfs/dbraw/zinc/81/92/73/1047819273.db2.gz MBUMUTXLGCCMJJ-IBGZPJMESA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279477325 1047819280 /nfs/dbraw/zinc/81/92/80/1047819280.db2.gz MBUMUTXLGCCMJJ-IBGZPJMESA-N 2 1 375.523 3.849 20 0 GHADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279494329 1047824469 /nfs/dbraw/zinc/82/44/69/1047824469.db2.gz GFSDEXFLSOUINW-HXUWFJFHSA-N 2 1 382.017 3.911 20 0 GHADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279579517 1047848462 /nfs/dbraw/zinc/84/84/62/1047848462.db2.gz MHCQJSVNTYOOEK-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279609473 1047866727 /nfs/dbraw/zinc/86/67/27/1047866727.db2.gz BKDPAQBGBXTTHU-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](CCCc3cccc(Cl)c3)C[C@H]2CC1 ZINC001279632616 1047879535 /nfs/dbraw/zinc/87/95/35/1047879535.db2.gz NUVLZNFCRXSBCP-BGYRXZFFSA-N 2 1 380.960 3.537 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](CCCc3cccc(Cl)c3)C[C@H]2CC1 ZINC001279632616 1047879554 /nfs/dbraw/zinc/87/95/54/1047879554.db2.gz NUVLZNFCRXSBCP-BGYRXZFFSA-N 2 1 380.960 3.537 20 0 GHADMP O=c1cccc(CN2CCC[C@]3(CCC[N@@H+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644341 1047887833 /nfs/dbraw/zinc/88/78/33/1047887833.db2.gz HPMXXLMVKGCADC-NRFANRHFSA-N 2 1 375.582 3.608 20 0 GHADMP Clc1sccc1C[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279692860 1047917892 /nfs/dbraw/zinc/91/78/92/1047917892.db2.gz OIIMCEDSWQGXJA-UHFFFAOYSA-N 2 1 378.973 3.976 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cs1 ZINC001279708028 1047926803 /nfs/dbraw/zinc/92/68/03/1047926803.db2.gz NMNBDXMBEZYQIH-UHFFFAOYSA-N 2 1 384.471 3.978 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cs1 ZINC001279708028 1047926806 /nfs/dbraw/zinc/92/68/06/1047926806.db2.gz NMNBDXMBEZYQIH-UHFFFAOYSA-N 2 1 384.471 3.978 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC001279782661 1047949124 /nfs/dbraw/zinc/94/91/24/1047949124.db2.gz KJKGVWDIRLOTRS-PZJWPPBQSA-N 2 1 377.598 3.541 20 0 GHADMP CCSc1ccccc1C[NH+]1CCC2(CC[N@H+](COCCOC)C2)CC1 ZINC001279985073 1048027537 /nfs/dbraw/zinc/02/75/37/1048027537.db2.gz WTXOLGPLWRZZFO-UHFFFAOYSA-N 2 1 378.582 3.707 20 0 GHADMP CCSc1ccccc1C[NH+]1CCC2(CC[N@@H+](COCCOC)C2)CC1 ZINC001279985073 1048027546 /nfs/dbraw/zinc/02/75/46/1048027546.db2.gz WTXOLGPLWRZZFO-UHFFFAOYSA-N 2 1 378.582 3.707 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C)c(Cl)c(C)c3)C[C@H]2CC1 ZINC001280038663 1048059247 /nfs/dbraw/zinc/05/92/47/1048059247.db2.gz AKDAMXGSHKPHPK-BGYRXZFFSA-N 2 1 380.960 3.721 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C)c(Cl)c(C)c3)C[C@H]2CC1 ZINC001280038663 1048059263 /nfs/dbraw/zinc/05/92/63/1048059263.db2.gz AKDAMXGSHKPHPK-BGYRXZFFSA-N 2 1 380.960 3.721 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cc(C)c(Cl)c(C)c3)C[C@H]2CC1 ZINC001280038663 1048059279 /nfs/dbraw/zinc/05/92/79/1048059279.db2.gz AKDAMXGSHKPHPK-BGYRXZFFSA-N 2 1 380.960 3.721 20 0 GHADMP CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@@H+](CC)C(C)C ZINC001305451896 1048064063 /nfs/dbraw/zinc/06/40/63/1048064063.db2.gz CXDPUKWKJWCKAK-VQTJNVASSA-N 2 1 390.620 3.587 20 0 GHADMP CCOC(=O)CCC[NH+]1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001280157652 1048110141 /nfs/dbraw/zinc/11/01/41/1048110141.db2.gz FAYPAQZPOUKTJK-UHFFFAOYSA-N 2 1 378.479 3.850 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(C)cc(F)cc3Cl)(C1)CCC2 ZINC001280227960 1048137309 /nfs/dbraw/zinc/13/73/09/1048137309.db2.gz MYHMFNRLGXMWAJ-UXHICEINSA-N 2 1 384.923 3.933 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1)CC(C)C ZINC001306818662 1048913549 /nfs/dbraw/zinc/91/35/49/1048913549.db2.gz IWKBOEUYUAPVRW-OAQYLSRUSA-N 2 1 386.584 3.515 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCCCC2)C1 ZINC001307458597 1049293572 /nfs/dbraw/zinc/29/35/72/1049293572.db2.gz IUBGKOSIQSHTBR-IFMALSPDSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCCC2)C1 ZINC001307458597 1049293590 /nfs/dbraw/zinc/29/35/90/1049293590.db2.gz IUBGKOSIQSHTBR-IFMALSPDSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCCC2)C1 ZINC001307458597 1049293607 /nfs/dbraw/zinc/29/36/07/1049293607.db2.gz IUBGKOSIQSHTBR-IFMALSPDSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307477469 1049313917 /nfs/dbraw/zinc/31/39/17/1049313917.db2.gz BZRYAFUCXUZKKL-IOMROCGXSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307477469 1049313930 /nfs/dbraw/zinc/31/39/30/1049313930.db2.gz BZRYAFUCXUZKKL-IOMROCGXSA-N 2 1 389.971 3.858 20 0 GHADMP C[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC(C)(C)C1 ZINC001307606780 1049445972 /nfs/dbraw/zinc/44/59/72/1049445972.db2.gz QDPOSFJXGBQIMS-YLJYHZDGSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC(C)(C)C1 ZINC001307606780 1049445977 /nfs/dbraw/zinc/44/59/77/1049445977.db2.gz QDPOSFJXGBQIMS-YLJYHZDGSA-N 2 1 391.987 3.961 20 0 GHADMP O[C@]1(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001307767147 1049578878 /nfs/dbraw/zinc/57/88/78/1049578878.db2.gz HHIJNGRUPWFRLS-QHCPKHFHSA-N 2 1 386.486 3.781 20 0 GHADMP O[C@]1(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001307767147 1049578887 /nfs/dbraw/zinc/57/88/87/1049578887.db2.gz HHIJNGRUPWFRLS-QHCPKHFHSA-N 2 1 386.486 3.781 20 0 GHADMP Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001307791451 1049595091 /nfs/dbraw/zinc/59/50/91/1049595091.db2.gz IPCWXVAXUDWWEZ-OPYAIIAOSA-N 2 1 383.511 3.564 20 0 GHADMP CCN1C[C@@H](C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC001307825835 1049619436 /nfs/dbraw/zinc/61/94/36/1049619436.db2.gz QRODOQJLFXDCTD-GOTSBHOMSA-N 2 1 399.579 3.984 20 0 GHADMP C[C@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001290253163 1049778136 /nfs/dbraw/zinc/77/81/36/1049778136.db2.gz REHLZOSHNGFXHE-HSALFYBXSA-N 2 1 379.548 3.745 20 0 GHADMP C[C@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001290253163 1049778146 /nfs/dbraw/zinc/77/81/46/1049778146.db2.gz REHLZOSHNGFXHE-HSALFYBXSA-N 2 1 379.548 3.745 20 0 GHADMP O[C@@]1(C[NH+]2CCC(CCc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001308081756 1049826781 /nfs/dbraw/zinc/82/67/81/1049826781.db2.gz LIKHIIPXORQRDB-RUZDIDTESA-N 2 1 378.560 3.968 20 0 GHADMP O[C@@]1(C[NH+]2CCC(CCc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308081756 1049826793 /nfs/dbraw/zinc/82/67/93/1049826793.db2.gz LIKHIIPXORQRDB-RUZDIDTESA-N 2 1 378.560 3.968 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1)c1ccccc1 ZINC001308123071 1049865724 /nfs/dbraw/zinc/86/57/24/1049865724.db2.gz TXZYKZITORAQNV-LBBXHWODSA-N 2 1 377.532 3.583 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1)c1ccccc1 ZINC001308123071 1049865737 /nfs/dbraw/zinc/86/57/37/1049865737.db2.gz TXZYKZITORAQNV-LBBXHWODSA-N 2 1 377.532 3.583 20 0 GHADMP CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CCCc1c[nH+]cn1C)CC2 ZINC001308151787 1049888016 /nfs/dbraw/zinc/88/80/16/1049888016.db2.gz YHIYKDVTUMZKQF-IBGZPJMESA-N 2 1 390.572 3.710 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC001308204086 1049911904 /nfs/dbraw/zinc/91/19/04/1049911904.db2.gz YQOWLEAPFYFCIS-HSZRJFAPSA-N 2 1 385.596 3.796 20 0 GHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c2c(n1)CCCC2 ZINC001308220101 1049917441 /nfs/dbraw/zinc/91/74/41/1049917441.db2.gz FUIDJUMINURMBG-IBGZPJMESA-N 2 1 379.548 3.779 20 0 GHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c2c(n1)CCCC2 ZINC001308220101 1049917444 /nfs/dbraw/zinc/91/74/44/1049917444.db2.gz FUIDJUMINURMBG-IBGZPJMESA-N 2 1 379.548 3.779 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c1)O[C@H](C)C2 ZINC001308488156 1049988130 /nfs/dbraw/zinc/98/81/30/1049988130.db2.gz IQZJMHSEWXYXPQ-JBYIUTFZSA-N 2 1 380.532 3.876 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c1)O[C@H](C)C2 ZINC001308488156 1049988131 /nfs/dbraw/zinc/98/81/31/1049988131.db2.gz IQZJMHSEWXYXPQ-JBYIUTFZSA-N 2 1 380.532 3.876 20 0 GHADMP Cc1ccc2cc(C[NH+]3CCN(CC[N@H+](C)Cc4ccccc4)CC3)ccc2n1 ZINC001308616336 1050034193 /nfs/dbraw/zinc/03/41/93/1050034193.db2.gz UDSACDDCZMLEFR-UHFFFAOYSA-N 2 1 388.559 3.793 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCSC3(CCC3)CC2)c2c1OC(F)(F)O2 ZINC001308818504 1050106427 /nfs/dbraw/zinc/10/64/27/1050106427.db2.gz WABLEIXLQCKQJG-UHFFFAOYSA-N 2 1 384.492 3.931 20 0 GHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001308860989 1050127746 /nfs/dbraw/zinc/12/77/46/1050127746.db2.gz TVRDEYONIXSHCI-OXQOHEQNSA-N 2 1 392.465 3.993 20 0 GHADMP CC[N@H+]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC001310919350 1051706040 /nfs/dbraw/zinc/70/60/40/1051706040.db2.gz HCDKMCGAXUAGTD-SFHVURJKSA-N 2 1 390.597 3.823 20 0 GHADMP CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC001311078196 1051833347 /nfs/dbraw/zinc/83/33/47/1051833347.db2.gz DGNZGJKJTLZIJL-PZJWPPBQSA-N 2 1 393.535 3.666 20 0 GHADMP CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC001311078196 1051833360 /nfs/dbraw/zinc/83/33/60/1051833360.db2.gz DGNZGJKJTLZIJL-PZJWPPBQSA-N 2 1 393.535 3.666 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC001311313449 1052012444 /nfs/dbraw/zinc/01/24/44/1052012444.db2.gz FUWCYALLWYNBPO-GHTZIAJQSA-N 2 1 390.572 3.601 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001311360611 1052056987 /nfs/dbraw/zinc/05/69/87/1052056987.db2.gz UIEORWPLFMNYDA-VAMGGRTRSA-N 2 1 388.600 3.692 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001311406692 1052112437 /nfs/dbraw/zinc/11/24/37/1052112437.db2.gz WIDGKFGDCVYHGG-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001335479396 1052113630 /nfs/dbraw/zinc/11/36/30/1052113630.db2.gz UCBLPHIRXJKJID-UHFFFAOYSA-N 2 1 394.357 3.904 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001311656828 1052306433 /nfs/dbraw/zinc/30/64/33/1052306433.db2.gz WPUANKGRHNOXNQ-IFMALSPDSA-N 2 1 388.600 3.879 20 0 GHADMP CC(C)[C@H](CNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC001311672128 1052319283 /nfs/dbraw/zinc/31/92/83/1052319283.db2.gz JHXDFNTYNORRIC-MHTWAQMVSA-N 2 1 380.621 3.553 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCCCCC2CC[NH2+]CC2)CC1 ZINC001336937578 1052367446 /nfs/dbraw/zinc/36/74/46/1052367446.db2.gz HTMIWODASLQWPL-UHFFFAOYSA-N 2 1 388.556 3.503 20 0 GHADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001311952254 1052495774 /nfs/dbraw/zinc/49/57/74/1052495774.db2.gz NUMJVEDIWSQNET-JOCHJYFZSA-N 2 1 386.584 3.512 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001311952254 1052495788 /nfs/dbraw/zinc/49/57/88/1052495788.db2.gz NUMJVEDIWSQNET-JOCHJYFZSA-N 2 1 386.584 3.512 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001311952492 1052496289 /nfs/dbraw/zinc/49/62/89/1052496289.db2.gz HKJBTGUPIRDBCZ-IBGZPJMESA-N 2 1 376.589 3.563 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001312119437 1052583407 /nfs/dbraw/zinc/58/34/07/1052583407.db2.gz NFZLVZGFMCWWRA-BZEYQNPTSA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC001312222491 1052646305 /nfs/dbraw/zinc/64/63/05/1052646305.db2.gz GACJVWCYCQSMPP-UWJYYQICSA-N 2 1 392.563 3.628 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC001312222491 1052646313 /nfs/dbraw/zinc/64/63/13/1052646313.db2.gz GACJVWCYCQSMPP-UWJYYQICSA-N 2 1 392.563 3.628 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC001312442160 1052745125 /nfs/dbraw/zinc/74/51/25/1052745125.db2.gz NFANHBHJNWLFET-OAQYLSRUSA-N 2 1 384.568 3.613 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC001312442160 1052745126 /nfs/dbraw/zinc/74/51/26/1052745126.db2.gz NFANHBHJNWLFET-OAQYLSRUSA-N 2 1 384.568 3.613 20 0 GHADMP C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC001312481237 1052760673 /nfs/dbraw/zinc/76/06/73/1052760673.db2.gz VWQLZVDAVQALIR-FZKQIMNGSA-N 2 1 399.366 3.546 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001312616989 1052813929 /nfs/dbraw/zinc/81/39/29/1052813929.db2.gz ZTGLOHBICVCPEH-QHCPKHFHSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC001312649998 1052826249 /nfs/dbraw/zinc/82/62/49/1052826249.db2.gz FLJPBBVXEHKXOZ-NRFANRHFSA-N 2 1 399.583 3.587 20 0 GHADMP Cc1cc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC001312649998 1052826253 /nfs/dbraw/zinc/82/62/53/1052826253.db2.gz FLJPBBVXEHKXOZ-NRFANRHFSA-N 2 1 399.583 3.587 20 0 GHADMP C[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001312829365 1052886416 /nfs/dbraw/zinc/88/64/16/1052886416.db2.gz ZXQYNSKVCYNZRY-HSALFYBXSA-N 2 1 386.584 3.554 20 0 GHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001313038508 1052940258 /nfs/dbraw/zinc/94/02/58/1052940258.db2.gz ZDNQZFTWAJHVFO-HXUWFJFHSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC001313117428 1052961170 /nfs/dbraw/zinc/96/11/70/1052961170.db2.gz PICDHSQGEPGICM-AOMIVXANSA-N 2 1 390.616 3.545 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001313117284 1052961231 /nfs/dbraw/zinc/96/12/31/1052961231.db2.gz PCZQIDRTPCIKAN-LJQANCHMSA-N 2 1 392.613 3.618 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC001313316419 1053016038 /nfs/dbraw/zinc/01/60/38/1053016038.db2.gz RGUJRKDQNOJRJA-XLIONFOSSA-N 2 1 394.991 3.676 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001318237510 1054517333 /nfs/dbraw/zinc/51/73/33/1054517333.db2.gz BZPNQEJYCJUEFO-HSZRJFAPSA-N 2 1 379.548 3.722 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001318237510 1054517345 /nfs/dbraw/zinc/51/73/45/1054517345.db2.gz BZPNQEJYCJUEFO-HSZRJFAPSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001318237510 1054517360 /nfs/dbraw/zinc/51/73/60/1054517360.db2.gz BZPNQEJYCJUEFO-HSZRJFAPSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001318237510 1054517374 /nfs/dbraw/zinc/51/73/74/1054517374.db2.gz BZPNQEJYCJUEFO-HSZRJFAPSA-N 2 1 379.548 3.722 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001318395431 1054610034 /nfs/dbraw/zinc/61/00/34/1054610034.db2.gz FGVBCSJFYXKWKA-QIJUGHKUSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001318871428 1054926603 /nfs/dbraw/zinc/92/66/03/1054926603.db2.gz IQQSVYAKUGIHNJ-UHFFFAOYSA-N 2 1 388.600 3.721 20 0 GHADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319393526 1055224756 /nfs/dbraw/zinc/22/47/56/1055224756.db2.gz LWPOYQJFYNIXJS-MHECFPHRSA-N 2 1 381.539 3.986 20 0 GHADMP Cc1c(C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cnn1-c1cc[nH+]cc1 ZINC001319577261 1055335136 /nfs/dbraw/zinc/33/51/36/1055335136.db2.gz RPILGOALYLSWPL-UHFFFAOYSA-N 2 1 395.551 3.548 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)s1 ZINC001322277280 1056603763 /nfs/dbraw/zinc/60/37/63/1056603763.db2.gz UBRDPXRXIYSYBO-LJQANCHMSA-N 2 1 385.577 3.903 20 0 GHADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC001200704230 1056770837 /nfs/dbraw/zinc/77/08/37/1056770837.db2.gz RRPUJFYSUMALSH-UPVQGACJSA-N 2 1 382.548 3.756 20 0 GHADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC001200704230 1056770849 /nfs/dbraw/zinc/77/08/49/1056770849.db2.gz RRPUJFYSUMALSH-UPVQGACJSA-N 2 1 382.548 3.756 20 0 GHADMP Cc1c(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001323114023 1056924406 /nfs/dbraw/zinc/92/44/06/1056924406.db2.gz GWNKKZPAYSCGTM-QFIPXVFZSA-N 2 1 389.503 3.533 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001323390248 1056962985 /nfs/dbraw/zinc/96/29/85/1056962985.db2.gz GQTFVPIZGDNHCK-QTLGCAHFSA-N 2 1 393.575 3.724 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(Br)c1OC ZINC001200812055 1056977457 /nfs/dbraw/zinc/97/74/57/1056977457.db2.gz IVGRJLUMPGBACO-GJZGRUSLSA-N 2 1 385.346 3.819 20 0 GHADMP CC(C)c1ccccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000848537018 1057158295 /nfs/dbraw/zinc/15/82/95/1057158295.db2.gz ZZLRGRGAUGEMGE-QFIPXVFZSA-N 2 1 379.548 3.797 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000848572889 1057188434 /nfs/dbraw/zinc/18/84/34/1057188434.db2.gz MRTCJPOKJQNGSU-QFIPXVFZSA-N 2 1 378.516 3.689 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000848572889 1057188439 /nfs/dbraw/zinc/18/84/39/1057188439.db2.gz MRTCJPOKJQNGSU-QFIPXVFZSA-N 2 1 378.516 3.689 20 0 GHADMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000849054468 1057564945 /nfs/dbraw/zinc/56/49/45/1057564945.db2.gz JCXFIUSYSGLKLA-IBGZPJMESA-N 2 1 385.581 3.796 20 0 GHADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000849056392 1057568081 /nfs/dbraw/zinc/56/80/81/1057568081.db2.gz NCFJYEFIJMPOTM-ZFWWWQNUSA-N 2 1 387.355 3.525 20 0 GHADMP Cc1cccc(NC(=[NH2+])NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000849066774 1057576635 /nfs/dbraw/zinc/57/66/35/1057576635.db2.gz OTOGMIBNIKPVIB-UHFFFAOYSA-N 2 1 385.943 3.797 20 0 GHADMP C[C@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000849075652 1057582779 /nfs/dbraw/zinc/58/27/79/1057582779.db2.gz KDYNLGBLZMGURP-HSZRJFAPSA-N 2 1 394.519 3.696 20 0 GHADMP C[C@H](NC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1Cl ZINC000849096439 1057592367 /nfs/dbraw/zinc/59/23/67/1057592367.db2.gz FHTZPCNCFZCOSP-ZBEGNZNMSA-N 2 1 375.369 3.606 20 0 GHADMP COc1cccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)c1 ZINC001440374074 1058504590 /nfs/dbraw/zinc/50/45/90/1058504590.db2.gz POGZLJRAAOGWBE-GOTSBHOMSA-N 2 1 399.579 3.745 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC001442260604 1058940663 /nfs/dbraw/zinc/94/06/63/1058940663.db2.gz SZEBGYWXVLFFNV-XJUOHMSHSA-N 2 1 399.623 3.814 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001442260604 1058940666 /nfs/dbraw/zinc/94/06/66/1058940666.db2.gz SZEBGYWXVLFFNV-XJUOHMSHSA-N 2 1 399.623 3.814 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001442260604 1058940675 /nfs/dbraw/zinc/94/06/75/1058940675.db2.gz SZEBGYWXVLFFNV-XJUOHMSHSA-N 2 1 399.623 3.814 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCC1 ZINC001443434911 1059131440 /nfs/dbraw/zinc/13/14/40/1059131440.db2.gz WYTWHUFNGMVTGH-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)C[N@@H+](C)CCc2ccccc2)CCCC1)c1ccccc1 ZINC001444092049 1059263423 /nfs/dbraw/zinc/26/34/23/1059263423.db2.gz QSYQPSKCUUBLIM-NRFANRHFSA-N 2 1 393.575 3.941 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001445530083 1059556495 /nfs/dbraw/zinc/55/64/95/1059556495.db2.gz XOEFBGIDCZLPBC-VJBWXMMDSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445530083 1059556515 /nfs/dbraw/zinc/55/65/15/1059556515.db2.gz XOEFBGIDCZLPBC-VJBWXMMDSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445530083 1059556529 /nfs/dbraw/zinc/55/65/29/1059556529.db2.gz XOEFBGIDCZLPBC-VJBWXMMDSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001449173376 1060346944 /nfs/dbraw/zinc/34/69/44/1060346944.db2.gz LYCYINDFADULIS-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001449173376 1060346961 /nfs/dbraw/zinc/34/69/61/1060346961.db2.gz LYCYINDFADULIS-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001449173376 1060346980 /nfs/dbraw/zinc/34/69/80/1060346980.db2.gz LYCYINDFADULIS-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC001449173376 1060347002 /nfs/dbraw/zinc/34/70/02/1060347002.db2.gz LYCYINDFADULIS-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC001450779202 1060684381 /nfs/dbraw/zinc/68/43/81/1060684381.db2.gz AVBQRALGPYPRJP-PMOQBDJRSA-N 2 1 379.548 3.849 20 0 GHADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001341793058 1060899390 /nfs/dbraw/zinc/89/93/90/1060899390.db2.gz ZAZOASGQFUQSCH-VQTJNVASSA-N 2 1 395.572 3.521 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001455115964 1062013092 /nfs/dbraw/zinc/01/30/92/1062013092.db2.gz MPBVQCIJYYETSX-JOCHJYFZSA-N 2 1 392.547 3.918 20 0 GHADMP C[NH+](C)Cc1cc(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)no1 ZINC001349469490 1063740580 /nfs/dbraw/zinc/74/05/80/1063740580.db2.gz OALLPINXJGMUJP-UHFFFAOYSA-N 2 1 388.537 3.567 20 0 GHADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCCN1c1cccc(F)c1 ZINC001459305748 1064054433 /nfs/dbraw/zinc/05/44/33/1064054433.db2.gz CDUGLODACALQCL-JOCHJYFZSA-N 2 1 387.543 3.909 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCC[C@@H](C)C4)cc3)C[N@H+]2C1 ZINC001464155233 1064870884 /nfs/dbraw/zinc/87/08/84/1064870884.db2.gz SJEKQHZGYGTELR-NNLJWKLDSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)C[NH+]2C1 ZINC001464155233 1064870902 /nfs/dbraw/zinc/87/09/02/1064870902.db2.gz SJEKQHZGYGTELR-NNLJWKLDSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)C[NH+]2C1 ZINC001464155233 1064870919 /nfs/dbraw/zinc/87/09/19/1064870919.db2.gz SJEKQHZGYGTELR-NNLJWKLDSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[NH+]3CCC[C@@H](C)C3)C[N@H+]2C1 ZINC001464161635 1064878100 /nfs/dbraw/zinc/87/81/00/1064878100.db2.gz VQYWDAQMEYOKTN-VNHKHXMHSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)C[NH+]2C1 ZINC001464161635 1064878114 /nfs/dbraw/zinc/87/81/14/1064878114.db2.gz VQYWDAQMEYOKTN-VNHKHXMHSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)C[NH+]2C1 ZINC001464161635 1064878139 /nfs/dbraw/zinc/87/81/39/1064878139.db2.gz VQYWDAQMEYOKTN-VNHKHXMHSA-N 2 1 383.580 3.655 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](CC)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC001464501551 1065048977 /nfs/dbraw/zinc/04/89/77/1065048977.db2.gz XNZWNOLZQGDBAP-GOSISDBHSA-N 2 1 385.474 3.689 20 0 GHADMP C[C@@H](C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001465801623 1065866634 /nfs/dbraw/zinc/86/66/34/1065866634.db2.gz AWTQQIFKHRKQMA-RTWAWAEBSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+]1CCc2ccccc2C1 ZINC001465801623 1065866644 /nfs/dbraw/zinc/86/66/44/1065866644.db2.gz AWTQQIFKHRKQMA-RTWAWAEBSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCc2ccccc2C1 ZINC001465801623 1065866651 /nfs/dbraw/zinc/86/66/51/1065866651.db2.gz AWTQQIFKHRKQMA-RTWAWAEBSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@H](C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001465801622 1065867522 /nfs/dbraw/zinc/86/75/22/1065867522.db2.gz AWTQQIFKHRKQMA-NHCUHLMSSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+]1CCc2ccccc2C1 ZINC001465801622 1065867541 /nfs/dbraw/zinc/86/75/41/1065867541.db2.gz AWTQQIFKHRKQMA-NHCUHLMSSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCc2ccccc2C1 ZINC001465801622 1065867558 /nfs/dbraw/zinc/86/75/58/1065867558.db2.gz AWTQQIFKHRKQMA-NHCUHLMSSA-N 2 1 397.607 3.936 20 0 GHADMP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(C)[nH+]1 ZINC001465885429 1065910255 /nfs/dbraw/zinc/91/02/55/1065910255.db2.gz CMDSGYPFDYEOAQ-IAGOWNOFSA-N 2 1 380.536 3.920 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001466961603 1066414766 /nfs/dbraw/zinc/41/47/66/1066414766.db2.gz AKAXENGALNVSQV-OAQYLSRUSA-N 2 1 377.548 3.761 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001466961603 1066414767 /nfs/dbraw/zinc/41/47/67/1066414767.db2.gz AKAXENGALNVSQV-OAQYLSRUSA-N 2 1 377.548 3.761 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001467168142 1067116611 /nfs/dbraw/zinc/11/66/11/1067116611.db2.gz KANMXASOIBBQAE-HNNXBMFYSA-N 2 1 386.462 3.643 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001467297817 1067207928 /nfs/dbraw/zinc/20/79/28/1067207928.db2.gz BBSOSMPSFLXUDQ-OYDLWJJNSA-N 2 1 393.575 3.749 20 0 GHADMP CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001467752260 1067452357 /nfs/dbraw/zinc/45/23/57/1067452357.db2.gz OOVYLELANZPFSD-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCCCC1 ZINC001467754696 1067454361 /nfs/dbraw/zinc/45/43/61/1067454361.db2.gz WOZTYEBLNQQBFP-UHFFFAOYSA-N 2 1 388.600 3.851 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)c1ccccc1Cl ZINC001468014118 1067565152 /nfs/dbraw/zinc/56/51/52/1067565152.db2.gz HFYQKLVTHQSNLM-LJQANCHMSA-N 2 1 394.991 3.849 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)CC1)CC1CC1 ZINC001468238016 1067644483 /nfs/dbraw/zinc/64/44/83/1067644483.db2.gz HQSFEHJYPHKMHL-WOJBJXKFSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1)CC1CC1 ZINC001468238016 1067644492 /nfs/dbraw/zinc/64/44/92/1067644492.db2.gz HQSFEHJYPHKMHL-WOJBJXKFSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1)CC1CC1 ZINC001468238016 1067644504 /nfs/dbraw/zinc/64/45/04/1067644504.db2.gz HQSFEHJYPHKMHL-WOJBJXKFSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001468349856 1067697557 /nfs/dbraw/zinc/69/75/57/1067697557.db2.gz GZVSGUZQMZKLPU-OFNKIYASSA-N 2 1 396.579 3.808 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001477800366 1078572243 /nfs/dbraw/zinc/57/22/43/1078572243.db2.gz VBEZCPCCFZPDDJ-XVAXZDLZSA-N 2 1 378.605 3.737 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001477800487 1078573041 /nfs/dbraw/zinc/57/30/41/1078573041.db2.gz VKGQLYYNKXRTHS-HXUWFJFHSA-N 2 1 378.605 3.547 20 0 GHADMP c1cnn(CCCCC[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)c1 ZINC000849127334 1067739595 /nfs/dbraw/zinc/73/95/95/1067739595.db2.gz SQSIZDCGMWAQER-KEZOAJOQSA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000849127334 1067739609 /nfs/dbraw/zinc/73/96/09/1067739609.db2.gz SQSIZDCGMWAQER-KEZOAJOQSA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000849127334 1067739619 /nfs/dbraw/zinc/73/96/19/1067739619.db2.gz SQSIZDCGMWAQER-KEZOAJOQSA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)c1 ZINC000849127336 1067739778 /nfs/dbraw/zinc/73/97/78/1067739778.db2.gz SQSIZDCGMWAQER-XQUALCHDSA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000849127336 1067739787 /nfs/dbraw/zinc/73/97/87/1067739787.db2.gz SQSIZDCGMWAQER-XQUALCHDSA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000849127336 1067739791 /nfs/dbraw/zinc/73/97/91/1067739791.db2.gz SQSIZDCGMWAQER-XQUALCHDSA-N 2 1 378.564 3.896 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCCC1)c1ccccc1 ZINC001468830555 1067903579 /nfs/dbraw/zinc/90/35/79/1067903579.db2.gz JODRECFNSBXXEJ-OFNKIYASSA-N 2 1 398.595 3.777 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001469319551 1068100462 /nfs/dbraw/zinc/10/04/62/1068100462.db2.gz VAOPIDVNULIFAL-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057401 1078694858 /nfs/dbraw/zinc/69/48/58/1078694858.db2.gz KOFPYZSOUVSRJM-VQTJNVASSA-N 2 1 392.975 3.506 20 0 GHADMP CC(C)[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001360106856 1068362759 /nfs/dbraw/zinc/36/27/59/1068362759.db2.gz UJCRELIGYUCGGK-UHFFFAOYSA-N 2 1 398.599 3.596 20 0 GHADMP CC(C)[NH+](C)CCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001360106856 1068362768 /nfs/dbraw/zinc/36/27/68/1068362768.db2.gz UJCRELIGYUCGGK-UHFFFAOYSA-N 2 1 398.599 3.596 20 0 GHADMP CC(C)[NH+](C)CCn1c(-c2ccccc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001360106856 1068362778 /nfs/dbraw/zinc/36/27/78/1068362778.db2.gz UJCRELIGYUCGGK-UHFFFAOYSA-N 2 1 398.599 3.596 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CC[N@H+](CC)C[C@@H]2CC)[NH+](CC)CC)cc1 ZINC001470357154 1068697959 /nfs/dbraw/zinc/69/79/59/1068697959.db2.gz SOABQPWYUMXPIS-FCHUYYIVSA-N 2 1 388.600 3.758 20 0 GHADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001460240791 1068880361 /nfs/dbraw/zinc/88/03/61/1068880361.db2.gz VEYGYPDVYQHQRF-YADHBBJMSA-N 2 1 383.511 3.690 20 0 GHADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001460240791 1068880371 /nfs/dbraw/zinc/88/03/71/1068880371.db2.gz VEYGYPDVYQHQRF-YADHBBJMSA-N 2 1 383.511 3.690 20 0 GHADMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460490529 1068978062 /nfs/dbraw/zinc/97/80/62/1068978062.db2.gz LYQDSFHDVGNRIF-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001460490529 1068978065 /nfs/dbraw/zinc/97/80/65/1068978065.db2.gz LYQDSFHDVGNRIF-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)c(Br)c1 ZINC001460687816 1069087220 /nfs/dbraw/zinc/08/72/20/1069087220.db2.gz DCYSEFSZTKGHFS-UHFFFAOYSA-N 2 1 396.373 3.894 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)c(Br)c1 ZINC001460687816 1069087225 /nfs/dbraw/zinc/08/72/25/1069087225.db2.gz DCYSEFSZTKGHFS-UHFFFAOYSA-N 2 1 396.373 3.894 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[NH+](C)C1CCCCC1 ZINC001478495089 1078892992 /nfs/dbraw/zinc/89/29/92/1078892992.db2.gz PXDGAUIWAQYBTD-JOCHJYFZSA-N 2 1 388.600 3.707 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC001478495089 1078893000 /nfs/dbraw/zinc/89/30/00/1078893000.db2.gz PXDGAUIWAQYBTD-JOCHJYFZSA-N 2 1 388.600 3.707 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC001478495089 1078893001 /nfs/dbraw/zinc/89/30/01/1078893001.db2.gz PXDGAUIWAQYBTD-JOCHJYFZSA-N 2 1 388.600 3.707 20 0 GHADMP C[C@]1(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001478556070 1078916367 /nfs/dbraw/zinc/91/63/67/1078916367.db2.gz WSESRAUPWOUYES-XUZZJYLKSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@]1(CNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001478556070 1078916369 /nfs/dbraw/zinc/91/63/69/1078916369.db2.gz WSESRAUPWOUYES-XUZZJYLKSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@]1(CNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001478556070 1078916375 /nfs/dbraw/zinc/91/63/75/1078916375.db2.gz WSESRAUPWOUYES-XUZZJYLKSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001478556068 1078916510 /nfs/dbraw/zinc/91/65/10/1078916510.db2.gz WSESRAUPWOUYES-QPPBQGQZSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@]1(CNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001478556068 1078916511 /nfs/dbraw/zinc/91/65/11/1078916511.db2.gz WSESRAUPWOUYES-QPPBQGQZSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@]1(CNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001478556068 1078916513 /nfs/dbraw/zinc/91/65/13/1078916513.db2.gz WSESRAUPWOUYES-QPPBQGQZSA-N 2 1 398.595 3.605 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001478688023 1078956811 /nfs/dbraw/zinc/95/68/11/1078956811.db2.gz VWPKDLQHXYJSPY-NRFANRHFSA-N 2 1 388.600 3.707 20 0 GHADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001470795930 1072743274 /nfs/dbraw/zinc/74/32/74/1072743274.db2.gz GTDYETUIKJYKFM-NHCUHLMSSA-N 2 1 392.632 3.793 20 0 GHADMP CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC001478734332 1078970213 /nfs/dbraw/zinc/97/02/13/1078970213.db2.gz AWJDZKGNAAGZDD-FCHUYYIVSA-N 2 1 388.600 3.758 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC001473200650 1073853774 /nfs/dbraw/zinc/85/37/74/1073853774.db2.gz FZSYNBFXNDXXBQ-FCHUYYIVSA-N 2 1 375.601 3.754 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@@H+](C2CC2)[C@@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC001473200650 1073853783 /nfs/dbraw/zinc/85/37/83/1073853783.db2.gz FZSYNBFXNDXXBQ-FCHUYYIVSA-N 2 1 375.601 3.754 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2ccc(Br)nc2N)CC1)CC1CC1 ZINC001473304816 1073913606 /nfs/dbraw/zinc/91/36/06/1073913606.db2.gz TXKLKHPWRZWZMX-UHFFFAOYSA-N 2 1 395.389 3.760 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(Br)nc2N)CC1)CC1CC1 ZINC001473304816 1073913609 /nfs/dbraw/zinc/91/36/09/1073913609.db2.gz TXKLKHPWRZWZMX-UHFFFAOYSA-N 2 1 395.389 3.760 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716956 1074104599 /nfs/dbraw/zinc/10/45/99/1074104599.db2.gz NSZFXVKYEPIXDQ-RTWAWAEBSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCC(=O)OCc1ccccc1)C2 ZINC001473719096 1074105966 /nfs/dbraw/zinc/10/59/66/1074105966.db2.gz TZWJHLBCECDYJP-PLQXJYEYSA-N 2 1 392.543 3.964 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCC(=O)OCc1ccccc1)C2 ZINC001473719096 1074105973 /nfs/dbraw/zinc/10/59/73/1074105973.db2.gz TZWJHLBCECDYJP-PLQXJYEYSA-N 2 1 392.543 3.964 20 0 GHADMP C[C@]12C[NH+](CCC(=O)OCc3ccccc3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001473719096 1074105978 /nfs/dbraw/zinc/10/59/78/1074105978.db2.gz TZWJHLBCECDYJP-PLQXJYEYSA-N 2 1 392.543 3.964 20 0 GHADMP C[C@]12C[NH+](CCC(=O)OCc3ccccc3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001473719096 1074105984 /nfs/dbraw/zinc/10/59/84/1074105984.db2.gz TZWJHLBCECDYJP-PLQXJYEYSA-N 2 1 392.543 3.964 20 0 GHADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001474019885 1074238311 /nfs/dbraw/zinc/23/83/11/1074238311.db2.gz IMQQSDCNYDZWSW-VWNXMTODSA-N 2 1 382.548 3.694 20 0 GHADMP CC(C)COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001474019885 1074238314 /nfs/dbraw/zinc/23/83/14/1074238314.db2.gz IMQQSDCNYDZWSW-VWNXMTODSA-N 2 1 382.548 3.694 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(F)c2cccnc12 ZINC001474084298 1074258351 /nfs/dbraw/zinc/25/83/51/1074258351.db2.gz GVUOVVBFTXVWBA-FQEVSTJZSA-N 2 1 379.479 3.620 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001474091557 1074260959 /nfs/dbraw/zinc/26/09/59/1074260959.db2.gz LNRHWNFHWOXHKF-ORYQWCPZSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC001474091557 1074260964 /nfs/dbraw/zinc/26/09/64/1074260964.db2.gz LNRHWNFHWOXHKF-ORYQWCPZSA-N 2 1 385.939 3.899 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC001474348404 1074355867 /nfs/dbraw/zinc/35/58/67/1074355867.db2.gz HMARDIPBCSHRQZ-UHFFFAOYSA-N 2 1 393.519 3.818 20 0 GHADMP O[C@H](CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)COCc1ccccc1 ZINC001474651515 1074500306 /nfs/dbraw/zinc/50/03/06/1074500306.db2.gz RNMJTLUSWGJYBB-FQUZAXHOSA-N 2 1 394.559 3.597 20 0 GHADMP COc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)C2)cc1 ZINC001474692629 1074519115 /nfs/dbraw/zinc/51/91/15/1074519115.db2.gz JLERLSYUSXGWKI-AGHHOFFYSA-N 2 1 385.552 3.821 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419015 608212256 /nfs/dbraw/zinc/21/22/56/608212256.db2.gz DFUUOXDBXIVUQC-QGZVFWFLSA-N 2 1 382.556 3.762 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001164616309 719037056 /nfs/dbraw/zinc/03/70/56/719037056.db2.gz WIYOJQINYRJYSB-UHFFFAOYSA-N 2 1 387.597 3.586 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc3ccsc32)c2c1CC[NH2+]C2 ZINC001164685165 719617622 /nfs/dbraw/zinc/61/76/22/719617622.db2.gz SFZPBRUMHZXNSB-UHFFFAOYSA-N 2 1 375.929 3.621 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc3ccsc32)c2c1CC[NH2+]C2 ZINC001164685165 719617626 /nfs/dbraw/zinc/61/76/26/719617626.db2.gz SFZPBRUMHZXNSB-UHFFFAOYSA-N 2 1 375.929 3.621 20 0 GHADMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2cc(Cl)ccc12 ZINC001164684668 719630092 /nfs/dbraw/zinc/63/00/92/719630092.db2.gz WBPXRANLGLJQSK-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc2cc(Cl)ccc12 ZINC001164684668 719630095 /nfs/dbraw/zinc/63/00/95/719630095.db2.gz WBPXRANLGLJQSK-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000580118543 837443522 /nfs/dbraw/zinc/44/35/22/837443522.db2.gz GSMDQWVGVYFFMA-VQTJNVASSA-N 2 1 375.582 3.534 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000431777725 837454167 /nfs/dbraw/zinc/45/41/67/837454167.db2.gz BUVYTQMIBHMTSX-RXVVDRJESA-N 2 1 385.577 3.769 20 0 GHADMP FC(F)(F)c1cccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000655708618 837713685 /nfs/dbraw/zinc/71/36/85/837713685.db2.gz RGBSHTXCMUAHMV-IBGZPJMESA-N 2 1 382.470 3.970 20 0 GHADMP FC(F)(F)c1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655715484 837716873 /nfs/dbraw/zinc/71/68/73/837716873.db2.gz KPRUSNBVBVHWKI-AZUAARDMSA-N 2 1 397.485 3.517 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1cccs1 ZINC000647333078 834525900 /nfs/dbraw/zinc/52/59/00/834525900.db2.gz LELBRMBQWQAGDT-JRGCBEDISA-N 2 1 385.577 3.643 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1cccs1 ZINC000647333078 834525914 /nfs/dbraw/zinc/52/59/14/834525914.db2.gz LELBRMBQWQAGDT-JRGCBEDISA-N 2 1 385.577 3.643 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000089214802 834573520 /nfs/dbraw/zinc/57/35/20/834573520.db2.gz ATEXJTQZRPHQQP-UHFFFAOYSA-N 3 1 378.564 3.595 20 0 GHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCc1cccs1 ZINC000647334128 834593533 /nfs/dbraw/zinc/59/35/33/834593533.db2.gz GGZKXRLGYOBYCC-KEZQHZCBSA-N 2 1 397.588 3.928 20 0 GHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCc1cccs1 ZINC000647334128 834593542 /nfs/dbraw/zinc/59/35/42/834593542.db2.gz GGZKXRLGYOBYCC-KEZQHZCBSA-N 2 1 397.588 3.928 20 0 GHADMP Fc1cccc(COc2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)c1 ZINC000683141531 834679403 /nfs/dbraw/zinc/67/94/03/834679403.db2.gz ZCKUIXJCUGOPIB-UHFFFAOYSA-N 2 1 397.538 3.618 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000274669521 834697202 /nfs/dbraw/zinc/69/72/02/834697202.db2.gz XMQHRZKUNCAWJW-QGZVFWFLSA-N 2 1 388.556 3.525 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000583588043 834701700 /nfs/dbraw/zinc/70/17/00/834701700.db2.gz MXCAANMACKYEIJ-ISKFKSNPSA-N 2 1 375.516 3.772 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000583588043 834701707 /nfs/dbraw/zinc/70/17/07/834701707.db2.gz MXCAANMACKYEIJ-ISKFKSNPSA-N 2 1 375.516 3.772 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000650723747 834704699 /nfs/dbraw/zinc/70/46/99/834704699.db2.gz STTDGYPSOFNXQH-QGPMSJSTSA-N 2 1 390.421 3.628 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000510068767 834831556 /nfs/dbraw/zinc/83/15/56/834831556.db2.gz CQOSGJNDUCWMDF-UNMCSNQZSA-N 2 1 392.609 3.897 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657873276 834855958 /nfs/dbraw/zinc/85/59/58/834855958.db2.gz RZFZTUXNTZHIJE-CQSZACIVSA-N 2 1 388.781 3.781 20 0 GHADMP Fc1cc(C(F)(F)F)cc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000655758111 837822744 /nfs/dbraw/zinc/82/27/44/837822744.db2.gz QTWCIVTUCVRZFL-SFHVURJKSA-N 2 1 386.433 3.719 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccc(C)cc4)C3)CC2)CC1 ZINC000654997489 834936208 /nfs/dbraw/zinc/93/62/08/834936208.db2.gz ZBRUCIRUYXMMEJ-QFIPXVFZSA-N 2 1 383.580 3.507 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000685462144 835028679 /nfs/dbraw/zinc/02/86/79/835028679.db2.gz IVMKOFDEPQAQBA-UHFFFAOYSA-N 2 1 396.329 3.883 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000685462144 835028685 /nfs/dbraw/zinc/02/86/85/835028685.db2.gz IVMKOFDEPQAQBA-UHFFFAOYSA-N 2 1 396.329 3.883 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2c(C)nc3sc(C)nn23)CC1)CC1CC1 ZINC000536141463 835120547 /nfs/dbraw/zinc/12/05/47/835120547.db2.gz RNHDMXRTLKINBE-UHFFFAOYSA-N 2 1 375.586 3.742 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2c(C)nc3sc(C)nn23)CC1)CC1CC1 ZINC000536141463 835120552 /nfs/dbraw/zinc/12/05/52/835120552.db2.gz RNHDMXRTLKINBE-UHFFFAOYSA-N 2 1 375.586 3.742 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1Br ZINC000658144155 835454328 /nfs/dbraw/zinc/45/43/28/835454328.db2.gz KRCSLCNJFGYCGE-MAUKXSAKSA-N 2 1 389.337 3.867 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137093 835461344 /nfs/dbraw/zinc/46/13/44/835461344.db2.gz JZRBJOLZWKQXQH-CVDCTZTESA-N 2 1 386.511 3.888 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137455 835463015 /nfs/dbraw/zinc/46/30/15/835463015.db2.gz KVTJEPHSHJRUFG-MGPUTAFESA-N 2 1 376.903 3.767 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)C1 ZINC000658137448 835463086 /nfs/dbraw/zinc/46/30/86/835463086.db2.gz KVSCVKIQZUTZIM-TUACAJSNSA-N 2 1 398.522 3.650 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000584072815 835540808 /nfs/dbraw/zinc/54/08/08/835540808.db2.gz FVFFZVUMBVBQIT-PWIZWCRZSA-N 2 1 387.499 3.629 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000584072815 835540811 /nfs/dbraw/zinc/54/08/11/835540811.db2.gz FVFFZVUMBVBQIT-PWIZWCRZSA-N 2 1 387.499 3.629 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)[NH+](CC)CC)cc1 ZINC000458792611 835559416 /nfs/dbraw/zinc/55/94/16/835559416.db2.gz LNBCNSDNGCLHAK-COPCDDAFSA-N 2 1 388.600 3.614 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000584108658 835649665 /nfs/dbraw/zinc/64/96/65/835649665.db2.gz NJHSPJKBHHVOKW-OXFYSEKESA-N 2 1 394.968 3.814 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1OCCO ZINC000151639783 835672941 /nfs/dbraw/zinc/67/29/41/835672941.db2.gz RIWAOPZARFLGEE-QGZVFWFLSA-N 2 1 376.541 3.514 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN([C@@H](C)CCN1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2 ZINC000245711619 844083021 /nfs/dbraw/zinc/08/30/21/844083021.db2.gz ZUZINBPNENWDPE-JTKSJCOOSA-N 2 1 390.660 3.659 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(CC[C@H](C)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CC2 ZINC000245711619 844083029 /nfs/dbraw/zinc/08/30/29/844083029.db2.gz ZUZINBPNENWDPE-JTKSJCOOSA-N 2 1 390.660 3.659 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(CC[C@H](C)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2 ZINC000245711619 844083037 /nfs/dbraw/zinc/08/30/37/844083037.db2.gz ZUZINBPNENWDPE-JTKSJCOOSA-N 2 1 390.660 3.659 20 0 GHADMP CN(c1ccccc1CN1CCC[N@H+](C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000179770847 835803826 /nfs/dbraw/zinc/80/38/26/835803826.db2.gz YIHUBAXHUPGWOR-UHFFFAOYSA-N 2 1 384.612 3.667 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCC4(C[C@@H]3F)OCCO4)cc2)CC1 ZINC000892379177 835972658 /nfs/dbraw/zinc/97/26/58/835972658.db2.gz AOVBIEYEQMEIHZ-SFTDATJTSA-N 2 1 391.531 3.510 20 0 GHADMP COc1cccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC(F)F ZINC000092587326 844121745 /nfs/dbraw/zinc/12/17/45/844121745.db2.gz JUEASIUWSAMONH-IYBDPMFKSA-N 2 1 398.494 3.618 20 0 GHADMP COc1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC(F)F ZINC000092587326 844121749 /nfs/dbraw/zinc/12/17/49/844121749.db2.gz JUEASIUWSAMONH-IYBDPMFKSA-N 2 1 398.494 3.618 20 0 GHADMP CC(C)C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000180103724 836074408 /nfs/dbraw/zinc/07/44/08/836074408.db2.gz ULKIRFQAIRODSU-NHYNNZIHSA-N 2 1 385.596 3.519 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000448240798 836095204 /nfs/dbraw/zinc/09/52/04/836095204.db2.gz MQFAXZORQQQNBY-LADGPHEKSA-N 2 1 377.532 3.591 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000473274099 844130152 /nfs/dbraw/zinc/13/01/52/844130152.db2.gz SFNNNMLRPNODET-JXKFMYIUSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000473274099 844130156 /nfs/dbraw/zinc/13/01/56/844130156.db2.gz SFNNNMLRPNODET-JXKFMYIUSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000473274099 844130165 /nfs/dbraw/zinc/13/01/65/844130165.db2.gz SFNNNMLRPNODET-JXKFMYIUSA-N 2 1 397.607 3.914 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275115773 836299195 /nfs/dbraw/zinc/29/91/95/836299195.db2.gz YXVQVKLYSFMRBR-UYAOXDASSA-N 2 1 397.567 3.744 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000473292022 844149719 /nfs/dbraw/zinc/14/97/19/844149719.db2.gz AZEFNFUBEXQMRW-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473292022 844149728 /nfs/dbraw/zinc/14/97/28/844149728.db2.gz AZEFNFUBEXQMRW-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473292022 844149733 /nfs/dbraw/zinc/14/97/33/844149733.db2.gz AZEFNFUBEXQMRW-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000473494786 844182896 /nfs/dbraw/zinc/18/28/96/844182896.db2.gz IJKAYNMRWPEHKY-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000659019623 837266123 /nfs/dbraw/zinc/26/61/23/837266123.db2.gz YWQBZMHWVJUBIR-HXUWFJFHSA-N 2 1 378.520 3.569 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc(C)c1F ZINC001143377870 837993380 /nfs/dbraw/zinc/99/33/80/837993380.db2.gz FWPCVKHUNIFBPP-UHFFFAOYSA-N 2 1 397.538 3.952 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1Cl ZINC000659291303 838216175 /nfs/dbraw/zinc/21/61/75/838216175.db2.gz GNPPSIVZGRJONI-KBXCAEBGSA-N 2 1 384.351 3.731 20 0 GHADMP C[NH+]1CCN(CCCCN2CC[N@H+](C)C3(CCCCC3)C2)CC12CCCCC2 ZINC000579975487 838227027 /nfs/dbraw/zinc/22/70/27/838227027.db2.gz ULWQXFPWVAQTMJ-UHFFFAOYSA-N 2 1 390.660 3.667 20 0 GHADMP CN1CC[N@H+](CCCCN2CC[NH+](C)C3(CCCCC3)C2)CC12CCCCC2 ZINC000579975487 838227038 /nfs/dbraw/zinc/22/70/38/838227038.db2.gz ULWQXFPWVAQTMJ-UHFFFAOYSA-N 2 1 390.660 3.667 20 0 GHADMP CN1CC[N@@H+](CCCCN2CC[NH+](C)C3(CCCCC3)C2)CC12CCCCC2 ZINC000579975487 838227049 /nfs/dbraw/zinc/22/70/49/838227049.db2.gz ULWQXFPWVAQTMJ-UHFFFAOYSA-N 2 1 390.660 3.667 20 0 GHADMP CN1CC[NH+](CCCCN2CC[N@H+](C)C3(CCCCC3)C2)CC12CCCCC2 ZINC000579975487 838227057 /nfs/dbraw/zinc/22/70/57/838227057.db2.gz ULWQXFPWVAQTMJ-UHFFFAOYSA-N 2 1 390.660 3.667 20 0 GHADMP CN1CC[NH+](CCCCN2CC[N@@H+](C)C3(CCCCC3)C2)CC12CCCCC2 ZINC000579975487 838227068 /nfs/dbraw/zinc/22/70/68/838227068.db2.gz ULWQXFPWVAQTMJ-UHFFFAOYSA-N 2 1 390.660 3.667 20 0 GHADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(-c2cnn(C)c2)c1 ZINC000549802065 844306440 /nfs/dbraw/zinc/30/64/40/844306440.db2.gz HXGILNYRKGZTTQ-BGYRXZFFSA-N 2 1 396.579 3.717 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000584517264 838296311 /nfs/dbraw/zinc/29/63/11/838296311.db2.gz IHJQXZLYMWAAGF-JOCHJYFZSA-N 2 1 381.524 3.662 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000415945495 838300110 /nfs/dbraw/zinc/30/01/10/838300110.db2.gz DDTREXMEFCVTGX-WOJBJXKFSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000415945495 838300119 /nfs/dbraw/zinc/30/01/19/838300119.db2.gz DDTREXMEFCVTGX-WOJBJXKFSA-N 2 1 388.462 3.769 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000549804283 844313066 /nfs/dbraw/zinc/31/30/66/844313066.db2.gz PYBRALXMBKOZSK-VQIMIIECSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000549804283 844313075 /nfs/dbraw/zinc/31/30/75/844313075.db2.gz PYBRALXMBKOZSK-VQIMIIECSA-N 2 1 380.964 3.506 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000659879567 838322339 /nfs/dbraw/zinc/32/23/39/838322339.db2.gz VZOKSSSFWXKUGG-SFTDATJTSA-N 2 1 377.617 3.859 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659380223 838344150 /nfs/dbraw/zinc/34/41/50/838344150.db2.gz BGDCJBCIFDXVIW-FYYLOGMGSA-N 2 1 389.543 3.640 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415984348 838361483 /nfs/dbraw/zinc/36/14/83/838361483.db2.gz PENRICIVFRGTHZ-WIYYLYMNSA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000415985421 838362559 /nfs/dbraw/zinc/36/25/59/838362559.db2.gz SGZZDMGRLHTMOB-UHFFFAOYSA-N 2 1 392.547 3.926 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000580023405 838411483 /nfs/dbraw/zinc/41/14/83/838411483.db2.gz ZEUKDTISKCUHDV-FQEVSTJZSA-N 2 1 392.975 3.603 20 0 GHADMP [NH3+]C1(CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCC1 ZINC000659480784 838435665 /nfs/dbraw/zinc/43/56/65/838435665.db2.gz SLWRVUFPHUQHOW-UHFFFAOYSA-N 2 1 399.366 3.529 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000236262180 844330048 /nfs/dbraw/zinc/33/00/48/844330048.db2.gz VADUDHCSALSDOB-LLVKDONJSA-N 2 1 376.136 3.772 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000236262180 844330059 /nfs/dbraw/zinc/33/00/59/844330059.db2.gz VADUDHCSALSDOB-LLVKDONJSA-N 2 1 376.136 3.772 20 0 GHADMP Cc1[nH+]cn(CCCCc2noc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1C ZINC000656037703 838550920 /nfs/dbraw/zinc/55/09/20/838550920.db2.gz HBGALLXUJGFQIR-FQEVSTJZSA-N 2 1 394.523 3.680 20 0 GHADMP Cc1[nH+]cn(CCCCc2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1C ZINC000656037703 838550928 /nfs/dbraw/zinc/55/09/28/838550928.db2.gz HBGALLXUJGFQIR-FQEVSTJZSA-N 2 1 394.523 3.680 20 0 GHADMP Cc1[nH+]cn(CCCCc2noc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1C ZINC000656037704 838551030 /nfs/dbraw/zinc/55/10/30/838551030.db2.gz HBGALLXUJGFQIR-HXUWFJFHSA-N 2 1 394.523 3.680 20 0 GHADMP Cc1[nH+]cn(CCCCc2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1C ZINC000656037704 838551036 /nfs/dbraw/zinc/55/10/36/838551036.db2.gz HBGALLXUJGFQIR-HXUWFJFHSA-N 2 1 394.523 3.680 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000376661541 838613091 /nfs/dbraw/zinc/61/30/91/838613091.db2.gz SRWMHEPCOIOVNN-XGHQBKJUSA-N 2 1 381.524 3.510 20 0 GHADMP C[N@H+](CCN1CC[NH+](CCc2nsc3ccccc32)CC1)Cc1ccccc1 ZINC000659912122 838645946 /nfs/dbraw/zinc/64/59/46/838645946.db2.gz KBOVFCVCMCNMEG-UHFFFAOYSA-N 2 1 394.588 3.588 20 0 GHADMP C[N@@H+](CCN1CC[NH+](CCc2nsc3ccccc32)CC1)Cc1ccccc1 ZINC000659912122 838645949 /nfs/dbraw/zinc/64/59/49/838645949.db2.gz KBOVFCVCMCNMEG-UHFFFAOYSA-N 2 1 394.588 3.588 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000416158673 838652120 /nfs/dbraw/zinc/65/21/20/838652120.db2.gz TZLHYVGFKWIGML-WMZHIEFXSA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000416158673 838652124 /nfs/dbraw/zinc/65/21/24/838652124.db2.gz TZLHYVGFKWIGML-WMZHIEFXSA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000416158673 838652131 /nfs/dbraw/zinc/65/21/31/838652131.db2.gz TZLHYVGFKWIGML-WMZHIEFXSA-N 2 1 397.588 3.696 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000416170707 838671256 /nfs/dbraw/zinc/67/12/56/838671256.db2.gz LTTBGFFEGYBTSW-SFHVURJKSA-N 2 1 388.515 3.806 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000416170707 838671262 /nfs/dbraw/zinc/67/12/62/838671262.db2.gz LTTBGFFEGYBTSW-SFHVURJKSA-N 2 1 388.515 3.806 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000376764931 838712839 /nfs/dbraw/zinc/71/28/39/838712839.db2.gz OIMAAJRXCZAJTJ-CSODHUTKSA-N 2 1 381.524 3.510 20 0 GHADMP Brc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415038963 839101315 /nfs/dbraw/zinc/10/13/15/839101315.db2.gz MQTXMWKRODENLS-KRWDZBQOSA-N 2 1 375.310 3.584 20 0 GHADMP Clc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415046477 839124940 /nfs/dbraw/zinc/12/49/40/839124940.db2.gz XIIBITDIIRMTKE-XVAYZXCPSA-N 2 1 378.907 3.559 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OCc1cccnc1 ZINC000415054156 839131719 /nfs/dbraw/zinc/13/17/19/839131719.db2.gz PLVJPPINTAOWNH-LEWJYISDSA-N 2 1 381.520 3.633 20 0 GHADMP O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415073405 839169475 /nfs/dbraw/zinc/16/94/75/839169475.db2.gz BFBMEYDNRGRSGP-KNQAVFIVSA-N 2 1 381.495 3.513 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CCC[NH+](C)C2)c1 ZINC000458165480 844409982 /nfs/dbraw/zinc/40/99/82/844409982.db2.gz KXMXFQZYBLPCAT-OAQYLSRUSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000458165480 844409985 /nfs/dbraw/zinc/40/99/85/844409985.db2.gz KXMXFQZYBLPCAT-OAQYLSRUSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000458165480 844409993 /nfs/dbraw/zinc/40/99/93/844409993.db2.gz KXMXFQZYBLPCAT-OAQYLSRUSA-N 2 1 379.548 3.780 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000415114587 839222887 /nfs/dbraw/zinc/22/28/87/839222887.db2.gz VWGGPSLZLCEXTO-JOCHJYFZSA-N 2 1 394.494 3.536 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000415114587 839222900 /nfs/dbraw/zinc/22/29/00/839222900.db2.gz VWGGPSLZLCEXTO-JOCHJYFZSA-N 2 1 394.494 3.536 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)ccc3Br)CC2)C1 ZINC000415126527 839232955 /nfs/dbraw/zinc/23/29/55/839232955.db2.gz PLXPWLYDBGMIFL-RDJZCZTQSA-N 2 1 387.749 3.821 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000152690078 839532587 /nfs/dbraw/zinc/53/25/87/839532587.db2.gz ANGZEMPUTIVIBB-KBWCOIMZSA-N 2 1 378.605 3.545 20 0 GHADMP COCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000580473411 839620593 /nfs/dbraw/zinc/62/05/93/839620593.db2.gz LXUKQALSMNVHAB-SFHVURJKSA-N 2 1 375.340 3.771 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000312929682 839906619 /nfs/dbraw/zinc/90/66/19/839906619.db2.gz DUVWKIKXSUTHTQ-YZGWKJHDSA-N 2 1 381.486 3.513 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)[C@H](C)C1 ZINC000471605307 839953319 /nfs/dbraw/zinc/95/33/19/839953319.db2.gz GDMMVLBXOVXAQB-DYESRHJHSA-N 2 1 375.532 3.587 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000512550557 844502657 /nfs/dbraw/zinc/50/26/57/844502657.db2.gz JIJNYOXEBQUQFR-LSWJPFSZSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512550557 844502660 /nfs/dbraw/zinc/50/26/60/844502660.db2.gz JIJNYOXEBQUQFR-LSWJPFSZSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512550557 844502664 /nfs/dbraw/zinc/50/26/64/844502664.db2.gz JIJNYOXEBQUQFR-LSWJPFSZSA-N 2 1 383.580 3.810 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000416854011 840232017 /nfs/dbraw/zinc/23/20/17/840232017.db2.gz OSIGIHBUZUYQPI-PWIZWCRZSA-N 2 1 392.975 3.506 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000416974264 840330998 /nfs/dbraw/zinc/33/09/98/840330998.db2.gz WNDNWXKCDFAIDB-JOCHJYFZSA-N 2 1 382.552 3.588 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000416975118 840332620 /nfs/dbraw/zinc/33/26/20/840332620.db2.gz MIPMUGLTACQBBO-XXBNENTESA-N 2 1 398.595 3.735 20 0 GHADMP O=C1Nc2ccccc2S[C@@H]1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000660448911 840455244 /nfs/dbraw/zinc/45/52/44/840455244.db2.gz QQYBRDCZZLWTOK-XQBPLPMBSA-N 2 1 393.556 3.553 20 0 GHADMP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000660448911 840455254 /nfs/dbraw/zinc/45/52/54/840455254.db2.gz QQYBRDCZZLWTOK-XQBPLPMBSA-N 2 1 393.556 3.553 20 0 GHADMP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000660448911 840455259 /nfs/dbraw/zinc/45/52/59/840455259.db2.gz QQYBRDCZZLWTOK-XQBPLPMBSA-N 2 1 393.556 3.553 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@]3(C)Cc3ccccc3)CC2)CC1 ZINC000584663593 840462762 /nfs/dbraw/zinc/46/27/62/840462762.db2.gz HCPAFYKOHZHFKW-RUZDIDTESA-N 2 1 397.607 3.807 20 0 GHADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc(Br)c1O ZINC000511682429 840508247 /nfs/dbraw/zinc/50/82/47/840508247.db2.gz SQQVXVCWGRZBDC-AWEZNQCLSA-N 2 1 385.346 3.908 20 0 GHADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc(Br)c1O ZINC000511682429 840508260 /nfs/dbraw/zinc/50/82/60/840508260.db2.gz SQQVXVCWGRZBDC-AWEZNQCLSA-N 2 1 385.346 3.908 20 0 GHADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(Cl)cc1 ZINC000313036838 840581610 /nfs/dbraw/zinc/58/16/10/840581610.db2.gz QSXKROUAXWEYSG-IOMROCGXSA-N 2 1 383.923 3.779 20 0 GHADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(Cl)cc1 ZINC000313036838 840581623 /nfs/dbraw/zinc/58/16/23/840581623.db2.gz QSXKROUAXWEYSG-IOMROCGXSA-N 2 1 383.923 3.779 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000178390937 840653168 /nfs/dbraw/zinc/65/31/68/840653168.db2.gz LAGSAOVWQWBRAA-DENIHFKCSA-N 2 1 385.552 3.988 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000509908048 844580500 /nfs/dbraw/zinc/58/05/00/844580500.db2.gz GZVMYBRHMFSVAX-PGMHBOJBSA-N 2 1 393.575 3.774 20 0 GHADMP C[N@@H+](C[C@H](O)COc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512565324 844582629 /nfs/dbraw/zinc/58/26/29/844582629.db2.gz PKFKVNSVDXUNPG-JKWVGCSGSA-N 2 1 396.531 3.776 20 0 GHADMP C[NH+](C[C@H](O)COc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512565324 844582640 /nfs/dbraw/zinc/58/26/40/844582640.db2.gz PKFKVNSVDXUNPG-JKWVGCSGSA-N 2 1 396.531 3.776 20 0 GHADMP C[NH+](C[C@H](O)COc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512565324 844582646 /nfs/dbraw/zinc/58/26/46/844582646.db2.gz PKFKVNSVDXUNPG-JKWVGCSGSA-N 2 1 396.531 3.776 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000581318262 841073370 /nfs/dbraw/zinc/07/33/70/841073370.db2.gz IFXOACDZQAVSAD-UHFFFAOYSA-N 2 1 388.821 3.595 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000581318262 841073387 /nfs/dbraw/zinc/07/33/87/841073387.db2.gz IFXOACDZQAVSAD-UHFFFAOYSA-N 2 1 388.821 3.595 20 0 GHADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)NCc1ccccc1Cl ZINC000660675538 841088002 /nfs/dbraw/zinc/08/80/02/841088002.db2.gz FPHQHMINGATKNK-UHFFFAOYSA-N 2 1 385.939 3.601 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000276150754 841167470 /nfs/dbraw/zinc/16/74/70/841167470.db2.gz OXMHBGCGIBVCMQ-IBGZPJMESA-N 2 1 379.342 3.768 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000581370575 841182947 /nfs/dbraw/zinc/18/29/47/841182947.db2.gz CZUTYRIFPZSTHL-OALUTQOASA-N 2 1 379.504 3.739 20 0 GHADMP CC[N@@H+](Cc1ccccc1C(=O)N(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417816928 841210635 /nfs/dbraw/zinc/21/06/35/841210635.db2.gz UKBSXZACCMHALR-NRFANRHFSA-N 2 1 379.548 3.732 20 0 GHADMP CC[N@H+](Cc1ccccc1C(=O)N(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417816928 841210647 /nfs/dbraw/zinc/21/06/47/841210647.db2.gz UKBSXZACCMHALR-NRFANRHFSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](Cc1ccccc1C(=O)N(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417816928 841210658 /nfs/dbraw/zinc/21/06/58/841210658.db2.gz UKBSXZACCMHALR-NRFANRHFSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](Cc1ccccc1C(=O)N(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417816928 841210670 /nfs/dbraw/zinc/21/06/70/841210670.db2.gz UKBSXZACCMHALR-NRFANRHFSA-N 2 1 379.548 3.732 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000417849580 841219967 /nfs/dbraw/zinc/21/99/67/841219967.db2.gz CSGDUJKVXMGZBI-GOSISDBHSA-N 2 1 391.519 3.802 20 0 GHADMP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000430584548 841253993 /nfs/dbraw/zinc/25/39/93/841253993.db2.gz OXQWVKUYUVEOFM-QFIPXVFZSA-N 2 1 385.577 3.584 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1Sc2ccccc2NC1=O ZINC000660307441 841260112 /nfs/dbraw/zinc/26/01/12/841260112.db2.gz XXDUGHOJWJDERP-LZNRXBQRSA-N 2 1 395.572 3.990 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000730669840 861225775 /nfs/dbraw/zinc/22/57/75/861225775.db2.gz IBTSSQFZVPXHHI-JOCHJYFZSA-N 2 1 396.535 3.538 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000730669840 861225780 /nfs/dbraw/zinc/22/57/80/861225780.db2.gz IBTSSQFZVPXHHI-JOCHJYFZSA-N 2 1 396.535 3.538 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000511656115 841709899 /nfs/dbraw/zinc/70/98/99/841709899.db2.gz LNKAQSYHXNUTPV-QFIPXVFZSA-N 2 1 383.536 3.603 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000511656115 841709903 /nfs/dbraw/zinc/70/99/03/841709903.db2.gz LNKAQSYHXNUTPV-QFIPXVFZSA-N 2 1 383.536 3.603 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000684359708 841886652 /nfs/dbraw/zinc/88/66/52/841886652.db2.gz HDADZDMRZCCOJX-FQEVSTJZSA-N 2 1 383.502 3.740 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418384945 841920792 /nfs/dbraw/zinc/92/07/92/841920792.db2.gz OZGYOAFZARHDDC-BVYCBKJFSA-N 2 1 386.584 3.589 20 0 GHADMP Cc1cc(Br)cn2c(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)cnc12 ZINC000656786705 841924187 /nfs/dbraw/zinc/92/41/87/841924187.db2.gz PRLOTLMQCOIEPM-INIZCTEOSA-N 2 1 391.357 3.617 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647171534 841949672 /nfs/dbraw/zinc/94/96/72/841949672.db2.gz MYGMENQIQRGVEX-LJQANCHMSA-N 2 1 375.520 3.932 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430638081 841985676 /nfs/dbraw/zinc/98/56/76/841985676.db2.gz MKKPVMHCBMASLL-AGILITTLSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430638081 841985685 /nfs/dbraw/zinc/98/56/85/841985685.db2.gz MKKPVMHCBMASLL-AGILITTLSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430638081 841985695 /nfs/dbraw/zinc/98/56/95/841985695.db2.gz MKKPVMHCBMASLL-AGILITTLSA-N 2 1 391.559 3.820 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001167823876 842011947 /nfs/dbraw/zinc/01/19/47/842011947.db2.gz FRMCAOJMTNXNMG-FUPPJEDESA-N 2 1 389.584 3.842 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CCCO1 ZINC000432356020 842156919 /nfs/dbraw/zinc/15/69/19/842156919.db2.gz HBWVQGSEYAIGCA-IBGZPJMESA-N 2 1 378.520 3.616 20 0 GHADMP C[NH+](C)C[C@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000549623695 842229104 /nfs/dbraw/zinc/22/91/04/842229104.db2.gz DVQLCCDSDMDXSW-KRWDZBQOSA-N 2 1 377.882 3.949 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001167834865 842272295 /nfs/dbraw/zinc/27/22/95/842272295.db2.gz NLGBLMPAOASPDO-JKSUJKDBSA-N 2 1 395.510 3.981 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001167834865 842272303 /nfs/dbraw/zinc/27/23/03/842272303.db2.gz NLGBLMPAOASPDO-JKSUJKDBSA-N 2 1 395.510 3.981 20 0 GHADMP Cc1ccc(Nc2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000652348782 842327232 /nfs/dbraw/zinc/32/72/32/842327232.db2.gz RABOAOMZUTWUAI-ABSDTBQOSA-N 2 1 386.565 3.913 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CCCO1 ZINC000432409780 842401717 /nfs/dbraw/zinc/40/17/17/842401717.db2.gz IXQXJXPAIMPZEE-MAUKXSAKSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CCCO1 ZINC000432409780 842401719 /nfs/dbraw/zinc/40/17/19/842401719.db2.gz IXQXJXPAIMPZEE-MAUKXSAKSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432416104 842426180 /nfs/dbraw/zinc/42/61/80/842426180.db2.gz FQWWRLJGYHQABM-GJZGRUSLSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432416104 842426185 /nfs/dbraw/zinc/42/61/85/842426185.db2.gz FQWWRLJGYHQABM-GJZGRUSLSA-N 2 1 387.337 3.610 20 0 GHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432418038 842436957 /nfs/dbraw/zinc/43/69/57/842436957.db2.gz YDKWAEHZKAYJMO-MOPGFXCFSA-N 2 1 375.557 3.618 20 0 GHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432418038 842436961 /nfs/dbraw/zinc/43/69/61/842436961.db2.gz YDKWAEHZKAYJMO-MOPGFXCFSA-N 2 1 375.557 3.618 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1)C1CCCCC1 ZINC000279046853 842509700 /nfs/dbraw/zinc/50/97/00/842509700.db2.gz RBQUYZPLDQBTRT-MRXNPFEDSA-N 2 1 381.524 3.503 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1)C1CCCCC1 ZINC000279046848 842509944 /nfs/dbraw/zinc/50/99/44/842509944.db2.gz RBQUYZPLDQBTRT-INIZCTEOSA-N 2 1 381.524 3.503 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512117624 842549747 /nfs/dbraw/zinc/54/97/47/842549747.db2.gz XZVDYMCZXVIDFD-LGMDPLHJSA-N 2 1 380.536 3.902 20 0 GHADMP O=C(c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCCC1 ZINC000073868210 861328004 /nfs/dbraw/zinc/32/80/04/861328004.db2.gz KLZGQCOIPBFQTA-UHFFFAOYSA-N 2 1 377.532 3.677 20 0 GHADMP Fc1cc(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001211701362 842673132 /nfs/dbraw/zinc/67/31/32/842673132.db2.gz TZENGWQASOOOIL-SOJLYPPLSA-N 2 1 393.466 3.681 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccnc1-c1ccccc1 ZINC000663699823 842782560 /nfs/dbraw/zinc/78/25/60/842782560.db2.gz MBZUUQFVAPVHMT-UHFFFAOYSA-N 2 1 393.579 3.776 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512183239 842806227 /nfs/dbraw/zinc/80/62/27/842806227.db2.gz GDQFQZNLTJUTQI-HOTGVXAUSA-N 2 1 398.494 3.618 20 0 GHADMP C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@H]([NH3+])c1ccccc1 ZINC000430702901 842814265 /nfs/dbraw/zinc/81/42/65/842814265.db2.gz DCRAGWAFZCNQPL-GRYUFTJMSA-N 2 1 391.559 3.837 20 0 GHADMP COc1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC(C)C ZINC000512187583 842837479 /nfs/dbraw/zinc/83/74/79/842837479.db2.gz RKYCSUMQWWDROM-KDURUIRLSA-N 2 1 390.568 3.804 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000150787310 842906664 /nfs/dbraw/zinc/90/66/64/842906664.db2.gz PGVWJKYTLKIPQS-UHFFFAOYSA-N 2 1 390.597 3.669 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001126217590 843001739 /nfs/dbraw/zinc/00/17/39/843001739.db2.gz CCMARXXSJNSXBA-GTMAMOSYSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000430839561 843055260 /nfs/dbraw/zinc/05/52/60/843055260.db2.gz OVLAQNFWIPWFMP-NKKJXINNSA-N 2 1 382.548 3.549 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430839561 843055280 /nfs/dbraw/zinc/05/52/80/843055280.db2.gz OVLAQNFWIPWFMP-NKKJXINNSA-N 2 1 382.548 3.549 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)COCc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430839561 843055293 /nfs/dbraw/zinc/05/52/93/843055293.db2.gz OVLAQNFWIPWFMP-NKKJXINNSA-N 2 1 382.548 3.549 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430839561 843055306 /nfs/dbraw/zinc/05/53/06/843055306.db2.gz OVLAQNFWIPWFMP-NKKJXINNSA-N 2 1 382.548 3.549 20 0 GHADMP Cc1cc(Br)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000662274555 843057059 /nfs/dbraw/zinc/05/70/59/843057059.db2.gz VRYZNJMXVWJTNV-SJORKVTESA-N 2 1 387.749 3.739 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662280146 843057705 /nfs/dbraw/zinc/05/77/05/843057705.db2.gz CXLBEYIXTRLDSN-DNVJHFABSA-N 2 1 378.516 3.747 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296544 843095109 /nfs/dbraw/zinc/09/51/09/843095109.db2.gz LVBABBXBTPEBJT-VQIMIIECSA-N 2 1 377.960 3.571 20 0 GHADMP Cc1ccccc1OCCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430922845 843191020 /nfs/dbraw/zinc/19/10/20/843191020.db2.gz ASGJPFVKYRJKQD-UHFFFAOYSA-N 2 1 387.612 3.892 20 0 GHADMP Cc1ccccc1OCCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430922845 843191024 /nfs/dbraw/zinc/19/10/24/843191024.db2.gz ASGJPFVKYRJKQD-UHFFFAOYSA-N 3 1 387.612 3.892 20 0 GHADMP Cc1ccccc1OCCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430922845 843191033 /nfs/dbraw/zinc/19/10/33/843191033.db2.gz ASGJPFVKYRJKQD-UHFFFAOYSA-N 3 1 387.612 3.892 20 0 GHADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000510684984 843192984 /nfs/dbraw/zinc/19/29/84/843192984.db2.gz RBQDSLZCVOUDQM-HFJQGTKSSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000510684984 843192990 /nfs/dbraw/zinc/19/29/90/843192990.db2.gz RBQDSLZCVOUDQM-HFJQGTKSSA-N 2 1 388.502 3.759 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1Br ZINC000430966858 843279879 /nfs/dbraw/zinc/27/98/79/843279879.db2.gz PTCVHCPJJPZPEQ-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178707882 861398731 /nfs/dbraw/zinc/39/87/31/861398731.db2.gz VYEMVYNRXVDJQY-SJORKVTESA-N 2 1 389.565 3.895 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178707888 861398833 /nfs/dbraw/zinc/39/88/33/861398833.db2.gz VYEMVYNRXVDJQY-DLBZAZTESA-N 2 1 389.565 3.895 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662460146 843291130 /nfs/dbraw/zinc/29/11/30/843291130.db2.gz QMHIOSKKDKHXBM-KNKQGSTJSA-N 2 1 383.580 3.792 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000178708002 861399757 /nfs/dbraw/zinc/39/97/57/861399757.db2.gz OOYZNRAPWRJEJF-OAHLLOKOSA-N 2 1 378.923 3.874 20 0 GHADMP Cc1cc(C(F)(F)F)cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000663788726 843340048 /nfs/dbraw/zinc/34/00/48/843340048.db2.gz TUGIXJIIKVIAFK-SFHVURJKSA-N 2 1 379.426 3.978 20 0 GHADMP Cc1cc(C(F)(F)F)cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[nH+]1 ZINC000663788726 843340067 /nfs/dbraw/zinc/34/00/67/843340067.db2.gz TUGIXJIIKVIAFK-SFHVURJKSA-N 2 1 379.426 3.978 20 0 GHADMP Cc1cc(C(F)(F)F)cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[nH+]1 ZINC000663788726 843340077 /nfs/dbraw/zinc/34/00/77/843340077.db2.gz TUGIXJIIKVIAFK-SFHVURJKSA-N 2 1 379.426 3.978 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512295549 843341322 /nfs/dbraw/zinc/34/13/22/843341322.db2.gz PUYWSPFCCFTBBX-IZIIKQMZSA-N 2 1 391.559 3.897 20 0 GHADMP C[NH2+][C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000662524942 843382154 /nfs/dbraw/zinc/38/21/54/843382154.db2.gz DACCDXIIHITIJW-GOSISDBHSA-N 2 1 380.319 3.632 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000067507202 843395382 /nfs/dbraw/zinc/39/53/82/843395382.db2.gz OAMUVYLRYZYMGD-OAQYLSRUSA-N 2 1 389.547 3.813 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)cc1)C1CC1 ZINC000599627411 861416768 /nfs/dbraw/zinc/41/67/68/861416768.db2.gz AZSZWOZXHHJKSI-IBGZPJMESA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1)C1CC1 ZINC000599627411 861416775 /nfs/dbraw/zinc/41/67/75/861416775.db2.gz AZSZWOZXHHJKSI-IBGZPJMESA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1)C1CC1 ZINC000599627411 861416784 /nfs/dbraw/zinc/41/67/84/861416784.db2.gz AZSZWOZXHHJKSI-IBGZPJMESA-N 2 1 379.548 3.921 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000512346381 843486687 /nfs/dbraw/zinc/48/66/87/843486687.db2.gz JBJHWSMNTWHWKQ-GOSISDBHSA-N 2 1 396.535 3.649 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662675663 843511039 /nfs/dbraw/zinc/51/10/39/843511039.db2.gz PCKWCTXEXGLJFS-GOSISDBHSA-N 2 1 377.532 3.637 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000673704974 861426824 /nfs/dbraw/zinc/42/68/24/861426824.db2.gz CFOUUCSDAZECGT-QFIPXVFZSA-N 2 1 388.600 3.707 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)C[C@H](C)O1 ZINC000432739078 843625781 /nfs/dbraw/zinc/62/57/81/843625781.db2.gz OUTNIMDMPXPGSN-GJZGRUSLSA-N 2 1 377.529 3.757 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000563115938 843645008 /nfs/dbraw/zinc/64/50/08/843645008.db2.gz ULVLSMFWMYFNIB-MDNUFGMLSA-N 2 1 397.538 3.546 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001167821171 843693674 /nfs/dbraw/zinc/69/36/74/843693674.db2.gz CEVIWZBMZUNBOG-SKWRMQMOSA-N 2 1 391.600 3.701 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001167821083 843696771 /nfs/dbraw/zinc/69/67/71/843696771.db2.gz AKRKZJCEOIUKKV-JMJGKCIBSA-N 2 1 389.584 3.731 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410391064 843739999 /nfs/dbraw/zinc/73/99/99/843739999.db2.gz GXXZNQUYVZXFQQ-NFBKMPQASA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000500670567 843801930 /nfs/dbraw/zinc/80/19/30/843801930.db2.gz WFEPPZSMWLZJMX-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000500670567 843801939 /nfs/dbraw/zinc/80/19/39/843801939.db2.gz WFEPPZSMWLZJMX-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000500670567 843801944 /nfs/dbraw/zinc/80/19/44/843801944.db2.gz WFEPPZSMWLZJMX-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP FC1(F)CCC[C@@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444085 843818064 /nfs/dbraw/zinc/81/80/64/843818064.db2.gz KMQBWNZWYQPEPV-RTWAWAEBSA-N 2 1 377.523 3.704 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282434140 861462964 /nfs/dbraw/zinc/46/29/64/861462964.db2.gz HOJLHNMYLKPNJN-JCTONOIOSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1cc([NH+]2CCCCCC2)ccc1NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000512868403 843917993 /nfs/dbraw/zinc/91/79/93/843917993.db2.gz CFJKJXMVQJYBBT-UHFFFAOYSA-N 2 1 394.567 3.529 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2c3c(nn2C)CCSC3)CC1)CC1CC1 ZINC000894136933 843946231 /nfs/dbraw/zinc/94/62/31/843946231.db2.gz IBOCOFGSMYZCIB-UHFFFAOYSA-N 2 1 376.614 3.543 20 0 GHADMP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303216931 844712590 /nfs/dbraw/zinc/71/25/90/844712590.db2.gz TUAMCFYKFSFVIM-GOSISDBHSA-N 2 1 383.511 3.997 20 0 GHADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000512617934 844776113 /nfs/dbraw/zinc/77/61/13/844776113.db2.gz HAMVVXSFDZARRW-BHIFYINESA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)[NH+]1CCCCC1 ZINC000729354154 844876006 /nfs/dbraw/zinc/87/60/06/844876006.db2.gz LQEUYERJMQRCTE-HXUWFJFHSA-N 2 1 392.975 3.541 20 0 GHADMP Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042473969 844925924 /nfs/dbraw/zinc/92/59/24/844925924.db2.gz OSUNCWAZAPMOHP-GOSISDBHSA-N 2 1 385.577 3.658 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512659794 844937918 /nfs/dbraw/zinc/93/79/18/844937918.db2.gz JURRKNMBPIZSGB-RBZQAINGSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)CC1 ZINC000513203659 845045627 /nfs/dbraw/zinc/04/56/27/845045627.db2.gz IACYIICPDFMQPK-DBOLQNLKSA-N 2 1 380.523 3.856 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CC(c4ccccc4Cl)C3)cc2)CC1 ZINC000509913761 845104884 /nfs/dbraw/zinc/10/48/84/845104884.db2.gz KBFJWXUXMGITNL-UHFFFAOYSA-N 2 1 397.950 3.763 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000513237867 845125172 /nfs/dbraw/zinc/12/51/72/845125172.db2.gz GOZHUOCPMOHNGL-CIQXWFTPSA-N 2 1 388.502 3.866 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000513237867 845125179 /nfs/dbraw/zinc/12/51/79/845125179.db2.gz GOZHUOCPMOHNGL-CIQXWFTPSA-N 2 1 388.502 3.866 20 0 GHADMP CC(CC[NH+]1CC[C@@H](N2CCCCC2)C1)CC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000411279408 845197058 /nfs/dbraw/zinc/19/70/58/845197058.db2.gz PQRSPGBBSFUAOB-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CC[C@@H]([NH+]2CCCCC2)C1)CC[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000411279408 845197067 /nfs/dbraw/zinc/19/70/67/845197067.db2.gz PQRSPGBBSFUAOB-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CC[C@@H]([NH+]2CCCCC2)C1)CC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000411279408 845197072 /nfs/dbraw/zinc/19/70/72/845197072.db2.gz PQRSPGBBSFUAOB-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1Cc1ccccc1 ZINC000513331681 845253572 /nfs/dbraw/zinc/25/35/72/845253572.db2.gz VAQNPDVNRKCQOZ-YZGWKJHDSA-N 2 1 384.955 3.956 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1Cc1ccccc1 ZINC000513331681 845253581 /nfs/dbraw/zinc/25/35/81/845253581.db2.gz VAQNPDVNRKCQOZ-YZGWKJHDSA-N 2 1 384.955 3.956 20 0 GHADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248390631 845293526 /nfs/dbraw/zinc/29/35/26/845293526.db2.gz BLOHSYNRYSZXLC-CWKRKGSWSA-N 2 1 380.532 3.619 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCCc2ccccc21 ZINC000179388251 861559911 /nfs/dbraw/zinc/55/99/11/861559911.db2.gz JXHAFMNURJJKIC-UHFFFAOYSA-N 2 1 392.547 3.599 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)c2cccs2)CC1 ZINC000657286812 845691837 /nfs/dbraw/zinc/69/18/37/845691837.db2.gz RURUBSIWYGZMHC-MRXNPFEDSA-N 2 1 399.482 3.567 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000548610673 845797887 /nfs/dbraw/zinc/79/78/87/845797887.db2.gz OXAGLZGITDPGHZ-UHFFFAOYSA-N 2 1 398.816 3.758 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1OC(F)F ZINC000179511843 861609779 /nfs/dbraw/zinc/60/97/79/861609779.db2.gz XPTJRTLWKYYOFZ-CYBMUJFWSA-N 2 1 383.414 3.613 20 0 GHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167533941 846089332 /nfs/dbraw/zinc/08/93/32/846089332.db2.gz OIZUJKCUBRHENV-YHYVQYDKSA-N 2 1 383.511 3.628 20 0 GHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167533941 846089338 /nfs/dbraw/zinc/08/93/38/846089338.db2.gz OIZUJKCUBRHENV-YHYVQYDKSA-N 2 1 383.511 3.628 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(-n2cccn2)cc1 ZINC000481542702 861640289 /nfs/dbraw/zinc/64/02/89/861640289.db2.gz KCWXGVOLQKJUOZ-VQTJNVASSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(-n2cccn2)cc1 ZINC000481542702 861640295 /nfs/dbraw/zinc/64/02/95/861640295.db2.gz KCWXGVOLQKJUOZ-VQTJNVASSA-N 2 1 390.531 3.944 20 0 GHADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513678422 846224811 /nfs/dbraw/zinc/22/48/11/846224811.db2.gz MYSXPXBGJGRTKT-RBZQAINGSA-N 2 1 391.559 3.827 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000157855028 846225906 /nfs/dbraw/zinc/22/59/06/846225906.db2.gz FCXGVMFEUMZJQX-ZWKOTPCHSA-N 2 1 391.556 3.665 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000157903538 846253017 /nfs/dbraw/zinc/25/30/17/846253017.db2.gz ZLLCCUULUAFWOV-MSOLQXFVSA-N 2 1 391.556 3.523 20 0 GHADMP COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NC1CC[NH+](C)CC1)CC2 ZINC000179616922 861663807 /nfs/dbraw/zinc/66/38/07/861663807.db2.gz AQDQTAFZOASGHO-UHFFFAOYSA-N 2 1 395.547 3.768 20 0 GHADMP COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1NC1CC[NH+](C)CC1)CC2 ZINC000179616922 861663811 /nfs/dbraw/zinc/66/38/11/861663811.db2.gz AQDQTAFZOASGHO-UHFFFAOYSA-N 2 1 395.547 3.768 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000502686897 846353386 /nfs/dbraw/zinc/35/33/86/846353386.db2.gz OBARTCHRGMZSDW-ITAUSPCMSA-N 2 1 392.632 3.841 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NCC[N@@H+](C)C3CCCCC3)CC2)CC1 ZINC000502825270 846519728 /nfs/dbraw/zinc/51/97/28/846519728.db2.gz QNPVBZMLCFOTQA-UHFFFAOYSA-N 2 1 378.605 3.593 20 0 GHADMP Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501049382 846576898 /nfs/dbraw/zinc/57/68/98/846576898.db2.gz YQOKNYUIQWXZDK-HXUWFJFHSA-N 2 1 394.563 3.724 20 0 GHADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501080132 846623781 /nfs/dbraw/zinc/62/37/81/846623781.db2.gz MSBYEWRAWRHFKD-UHFFFAOYSA-N 2 1 397.548 3.974 20 0 GHADMP COC1([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000421857699 846624096 /nfs/dbraw/zinc/62/40/96/846624096.db2.gz POHCSIGKXMOFQM-IRLDBZIGSA-N 2 1 386.580 3.853 20 0 GHADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081151 846624710 /nfs/dbraw/zinc/62/47/10/846624710.db2.gz OVSGUWLOBNZKAE-UHFFFAOYSA-N 2 1 387.911 3.855 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C2CC2)c(F)c1 ZINC000421840620 846631509 /nfs/dbraw/zinc/63/15/09/846631509.db2.gz HFCRZOBERDBREV-YPAWHYETSA-N 2 1 376.516 3.643 20 0 GHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccc(Br)c1 ZINC000501091352 846632335 /nfs/dbraw/zinc/63/23/35/846632335.db2.gz HCDXHSWWIQXQJM-UHFFFAOYSA-N 2 1 382.390 3.687 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501162880 846693958 /nfs/dbraw/zinc/69/39/58/846693958.db2.gz LBEUIDWXFLHPCL-YQVWRLOYSA-N 2 1 380.602 3.693 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH2+][C@@H](C)c1ccccc1 ZINC000503079079 846783601 /nfs/dbraw/zinc/78/36/01/846783601.db2.gz AMWKDZKRAUGAQX-CEWLAPEOSA-N 2 1 386.584 3.822 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000582304245 846824106 /nfs/dbraw/zinc/82/41/06/846824106.db2.gz GSVDGYJHAZRIIN-DDUZABMNSA-N 2 1 378.467 3.711 20 0 GHADMP CCC[C@@H](NC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000422145080 846849512 /nfs/dbraw/zinc/84/95/12/846849512.db2.gz RWSQJCFTXGPVPR-JOCHJYFZSA-N 2 1 386.584 3.729 20 0 GHADMP CCC[C@@H](NC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000422145080 846849524 /nfs/dbraw/zinc/84/95/24/846849524.db2.gz RWSQJCFTXGPVPR-JOCHJYFZSA-N 2 1 386.584 3.729 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@@H](C)C1 ZINC000481576085 861737375 /nfs/dbraw/zinc/73/73/75/861737375.db2.gz RIUBSUDYSUAYBG-HOCLYGCPSA-N 2 1 389.403 3.780 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000481568664 861743582 /nfs/dbraw/zinc/74/35/82/861743582.db2.gz DMRSTYHOTQHRDI-ZJSXRUAMSA-N 3 1 387.612 3.625 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000481568664 861743598 /nfs/dbraw/zinc/74/35/98/861743598.db2.gz DMRSTYHOTQHRDI-ZJSXRUAMSA-N 2 1 387.612 3.625 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC(C[NH3+])CC2)n1 ZINC000420177328 847024743 /nfs/dbraw/zinc/02/47/43/847024743.db2.gz BWNUURGZJUWDLS-UHFFFAOYSA-N 2 1 381.549 3.595 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272276497 847035264 /nfs/dbraw/zinc/03/52/64/847035264.db2.gz CJVUKVYULNNJRQ-UNMCSNQZSA-N 2 1 378.564 3.546 20 0 GHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000272392073 847067618 /nfs/dbraw/zinc/06/76/18/847067618.db2.gz HMWYZCYUDAYCMN-BKFWDETESA-N 2 1 389.543 3.864 20 0 GHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000272392073 847067625 /nfs/dbraw/zinc/06/76/25/847067625.db2.gz HMWYZCYUDAYCMN-BKFWDETESA-N 2 1 389.543 3.864 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420330506 847126971 /nfs/dbraw/zinc/12/69/71/847126971.db2.gz APVOYXJLMUWQJP-HSZRJFAPSA-N 2 1 393.531 3.668 20 0 GHADMP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000420330356 847126994 /nfs/dbraw/zinc/12/69/94/847126994.db2.gz BCLIUFPEYVNZCT-AEFFLSMTSA-N 2 1 382.335 3.563 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657431802 847260368 /nfs/dbraw/zinc/26/03/68/847260368.db2.gz KBGGRKRXTLEMMS-QXAKKESOSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657431802 847260378 /nfs/dbraw/zinc/26/03/78/847260378.db2.gz KBGGRKRXTLEMMS-QXAKKESOSA-N 2 1 392.469 3.829 20 0 GHADMP CCc1nc([C@@H](C)[NH2+]CCOCC[NH2+][C@H](C)c2csc(CC)n2)cs1 ZINC000273427092 847336156 /nfs/dbraw/zinc/33/61/56/847336156.db2.gz WLSUFEWIMVDDCO-ZIAGYGMSSA-N 2 1 382.599 3.742 20 0 GHADMP Cc1cc(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc(C)n1 ZINC000422211888 847471382 /nfs/dbraw/zinc/47/13/82/847471382.db2.gz QLWKSJUYNYQEGB-UHFFFAOYSA-N 2 1 392.547 3.896 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000422244122 847487801 /nfs/dbraw/zinc/48/78/01/847487801.db2.gz JSXRIUWXHMWFEJ-DZVQBONVSA-N 2 1 386.584 3.554 20 0 GHADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422690830 847782697 /nfs/dbraw/zinc/78/26/97/847782697.db2.gz GYCFQSDTNFKQLZ-SLFFLAALSA-N 2 1 397.519 3.519 20 0 GHADMP COc1cc(F)c([C@H](C)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422732299 847786983 /nfs/dbraw/zinc/78/69/83/847786983.db2.gz PMTJAOUJEQXTMG-OHOGDBNVSA-N 2 1 386.467 3.749 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422731665 847787133 /nfs/dbraw/zinc/78/71/33/847787133.db2.gz MDFUQGQWSGTQRL-AKFKNWHVSA-N 2 1 379.548 3.915 20 0 GHADMP COc1ccc([C@H](NC[C@H](C)[N@@H+]2CCc3sccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422722920 847796863 /nfs/dbraw/zinc/79/68/63/847796863.db2.gz ZCPDNGOCUUJURN-BUKVSMQUSA-N 2 1 385.577 3.586 20 0 GHADMP COc1ccc([C@H](NC[C@H](C)[N@H+]2CCc3sccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422722920 847796873 /nfs/dbraw/zinc/79/68/73/847796873.db2.gz ZCPDNGOCUUJURN-BUKVSMQUSA-N 2 1 385.577 3.586 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422916596 847887082 /nfs/dbraw/zinc/88/70/82/847887082.db2.gz DSGKPOOABWVGBX-BLLLJJGKSA-N 2 1 387.833 3.681 20 0 GHADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc(Br)c1OC ZINC000422937440 847898594 /nfs/dbraw/zinc/89/85/94/847898594.db2.gz CKRKOKVAQOGJPD-CXAGYDPISA-N 2 1 393.325 3.514 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000422944003 847908405 /nfs/dbraw/zinc/90/84/05/847908405.db2.gz LWPVVOIDCLWRLB-NDAONFMYSA-N 2 1 385.596 3.696 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000503737797 847929655 /nfs/dbraw/zinc/92/96/55/847929655.db2.gz QDAQBYTYIVNYOI-FQEVSTJZSA-N 2 1 394.563 3.643 20 0 GHADMP CCC(CC)(CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000503797600 847949511 /nfs/dbraw/zinc/94/95/11/847949511.db2.gz WJTOUYGUVCCFMX-RXVVDRJESA-N 2 1 386.584 3.774 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000582660843 847953046 /nfs/dbraw/zinc/95/30/46/847953046.db2.gz QTZUBYPEQJTCLB-FQEVSTJZSA-N 2 1 380.536 3.878 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657593691 848286433 /nfs/dbraw/zinc/28/64/33/848286433.db2.gz BLYYUPSYGGLXDM-AVRDEDQJSA-N 2 1 398.547 3.729 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccccc4)n3)cc2)C1 ZINC000657594972 848288417 /nfs/dbraw/zinc/28/84/17/848288417.db2.gz LYTQHTKRUMQMCB-NRFANRHFSA-N 2 1 379.529 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccccc4)n3)cc2)C1 ZINC000657594972 848288425 /nfs/dbraw/zinc/28/84/25/848288425.db2.gz LYTQHTKRUMQMCB-NRFANRHFSA-N 2 1 379.529 3.667 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596173 848290178 /nfs/dbraw/zinc/29/01/78/848290178.db2.gz MAUTVPLUYNMXCB-BBRMVZONSA-N 2 1 395.366 3.928 20 0 GHADMP CC(C)[C@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164211 861911751 /nfs/dbraw/zinc/91/17/51/861911751.db2.gz BAOLKPAPHJQDIE-ICSRJNTNSA-N 2 1 392.975 3.505 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(N3C(C)(C)CC([NH3+])CC3(C)C)c2c1C ZINC001167624966 848520957 /nfs/dbraw/zinc/52/09/57/848520957.db2.gz FFGUKDHNXRZONJ-UHFFFAOYSA-N 2 1 375.586 3.854 20 0 GHADMP CN(c1ccccc1CN[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000657677275 848575082 /nfs/dbraw/zinc/57/50/82/848575082.db2.gz BUATYHAFMHHOOE-NRFANRHFSA-N 2 1 384.612 3.714 20 0 GHADMP CN(c1ccccc1C[NH2+][C@H]1CCN(C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000657677275 848575089 /nfs/dbraw/zinc/57/50/89/848575089.db2.gz BUATYHAFMHHOOE-NRFANRHFSA-N 2 1 384.612 3.714 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000604171043 861923322 /nfs/dbraw/zinc/92/33/22/861923322.db2.gz JOGZKVSUBFPAAH-URVUXULASA-N 2 1 386.584 3.633 20 0 GHADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(OC)c(OC)c1 ZINC000162260265 848877170 /nfs/dbraw/zinc/87/71/70/848877170.db2.gz VKXZCEGFMBWDJD-IBGZPJMESA-N 2 1 384.524 3.820 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000583024951 848898658 /nfs/dbraw/zinc/89/86/58/848898658.db2.gz MGUYWHSWSWMWCF-UHFFFAOYSA-N 2 1 377.492 3.835 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000472276007 848902707 /nfs/dbraw/zinc/90/27/07/848902707.db2.gz KOUXTEWTJWRLNY-YJBOKZPZSA-N 2 1 392.931 3.884 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000472276007 848902710 /nfs/dbraw/zinc/90/27/10/848902710.db2.gz KOUXTEWTJWRLNY-YJBOKZPZSA-N 2 1 392.931 3.884 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)c1 ZINC000123903168 849223896 /nfs/dbraw/zinc/22/38/96/849223896.db2.gz AEXQWGOLGKWKLL-KRWDZBQOSA-N 2 1 399.535 3.662 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4c(c3)OCCO4)CC2)oc1C ZINC000162756755 849427415 /nfs/dbraw/zinc/42/74/15/849427415.db2.gz KEYXHQZDRZZVTL-MRXNPFEDSA-N 2 1 385.508 3.625 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCC ZINC000657751035 849623099 /nfs/dbraw/zinc/62/30/99/849623099.db2.gz NIGMDWPFKYEPCN-HXUWFJFHSA-N 2 1 376.541 3.607 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCNCc4cccnc4)[C@@H]3C2)cc1 ZINC000423186609 849776239 /nfs/dbraw/zinc/77/62/39/849776239.db2.gz LEQCKPIPRQSIEI-GVAUOCQISA-N 2 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000423186609 849776247 /nfs/dbraw/zinc/77/62/47/849776247.db2.gz LEQCKPIPRQSIEI-GVAUOCQISA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000423186609 849776254 /nfs/dbraw/zinc/77/62/54/849776254.db2.gz LEQCKPIPRQSIEI-GVAUOCQISA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000423186609 849776261 /nfs/dbraw/zinc/77/62/61/849776261.db2.gz LEQCKPIPRQSIEI-GVAUOCQISA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000423186609 849776267 /nfs/dbraw/zinc/77/62/67/849776267.db2.gz LEQCKPIPRQSIEI-GVAUOCQISA-N 3 1 392.591 3.842 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C(C)=C\c3ccccc3C(F)(F)F)C2)CC1 ZINC000503930750 849778519 /nfs/dbraw/zinc/77/85/19/849778519.db2.gz YZPPZPVOCBMXIB-FCUDFIOSSA-N 2 1 381.486 3.821 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191819 849797586 /nfs/dbraw/zinc/79/75/86/849797586.db2.gz UDVFYJAQMNBTJC-QGZVFWFLSA-N 2 1 378.289 3.740 20 0 GHADMP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899874088 862058450 /nfs/dbraw/zinc/05/84/50/862058450.db2.gz LYFNNMVMKNJSOA-HNNXBMFYSA-N 2 1 396.457 3.819 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423324809 849867217 /nfs/dbraw/zinc/86/72/17/849867217.db2.gz IIQQNVMXGFKNOI-CTOYSFNJSA-N 2 1 398.547 3.940 20 0 GHADMP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)sc1Cl ZINC000423374624 849878210 /nfs/dbraw/zinc/87/82/10/849878210.db2.gz CMTPAUWUEMUXAH-WCBMZHEXSA-N 2 1 376.275 3.542 20 0 GHADMP Brc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423436991 849930608 /nfs/dbraw/zinc/93/06/08/849930608.db2.gz QEVJWKCSDYYNRN-KNCOVGOOSA-N 2 1 390.350 3.757 20 0 GHADMP Cc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)sc1Br ZINC000423508981 849949178 /nfs/dbraw/zinc/94/91/78/849949178.db2.gz LVIAROONTATHSL-NFOMZHRRSA-N 2 1 386.403 3.686 20 0 GHADMP COCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423522415 849966631 /nfs/dbraw/zinc/96/66/31/849966631.db2.gz HHPQWGLKXAQBNT-WCIFCTNGSA-N 2 1 388.552 3.525 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027220 862089249 /nfs/dbraw/zinc/08/92/49/862089249.db2.gz GJGAFBQCBYTRKH-XZOQPEGZSA-N 2 1 394.563 3.595 20 0 GHADMP COc1ccc2ccccc2c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000518747940 850054067 /nfs/dbraw/zinc/05/40/67/850054067.db2.gz AJKXIRRXGSVEQM-OAQYLSRUSA-N 2 1 395.572 3.988 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000504427645 850060842 /nfs/dbraw/zinc/06/08/42/850060842.db2.gz SINKSARGWNRXKT-UNMCSNQZSA-N 2 1 388.600 3.657 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743183 850225888 /nfs/dbraw/zinc/22/58/88/850225888.db2.gz UHUIBKHHBNVZAP-GOTSBHOMSA-N 2 1 396.531 3.671 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000514805557 850312768 /nfs/dbraw/zinc/31/27/68/850312768.db2.gz XZKIPEVOGLVPOU-RHSMWYFYSA-N 2 1 397.357 3.773 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000514805557 850312782 /nfs/dbraw/zinc/31/27/82/850312782.db2.gz XZKIPEVOGLVPOU-RHSMWYFYSA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000514805557 850312793 /nfs/dbraw/zinc/31/27/93/850312793.db2.gz XZKIPEVOGLVPOU-RHSMWYFYSA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000514805557 850312802 /nfs/dbraw/zinc/31/28/02/850312802.db2.gz XZKIPEVOGLVPOU-RHSMWYFYSA-N 2 1 397.357 3.773 20 0 GHADMP CSCc1c2ccccc2oc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000604342310 862116687 /nfs/dbraw/zinc/11/66/87/862116687.db2.gz VHUZIZVBUFMZMH-UHFFFAOYSA-N 2 1 396.516 3.695 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000514831580 850363515 /nfs/dbraw/zinc/36/35/15/850363515.db2.gz DHHCQUHWGJDTKJ-JRIJMYPQSA-N 2 1 393.522 3.649 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000514831580 850363527 /nfs/dbraw/zinc/36/35/27/850363527.db2.gz DHHCQUHWGJDTKJ-JRIJMYPQSA-N 2 1 393.522 3.649 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435373338 850420734 /nfs/dbraw/zinc/42/07/34/850420734.db2.gz DRPDAUIIYDCFFF-VLCRHTCISA-N 2 1 379.504 3.507 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(Br)c1OC(F)F ZINC000424384761 850421846 /nfs/dbraw/zinc/42/18/46/850421846.db2.gz VNGREGWPQPYJMP-CHWSQXEVSA-N 2 1 393.272 3.809 20 0 GHADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1OCc1ccccc1 ZINC000435376694 850424473 /nfs/dbraw/zinc/42/44/73/850424473.db2.gz TVTYSJZVAJNJSR-WCRBZPEASA-N 2 1 396.531 3.998 20 0 GHADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1OCc1ccccc1 ZINC000435376694 850424481 /nfs/dbraw/zinc/42/44/81/850424481.db2.gz TVTYSJZVAJNJSR-WCRBZPEASA-N 2 1 396.531 3.998 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000424425618 850449103 /nfs/dbraw/zinc/44/91/03/850449103.db2.gz KEVOFVIKUAUZHB-UHFFFAOYSA-N 2 1 380.536 3.927 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424417180 850449190 /nfs/dbraw/zinc/44/91/90/850449190.db2.gz NFGMJDBPXBYMSW-RBBKRZOGSA-N 2 1 378.520 3.534 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000519043117 850545799 /nfs/dbraw/zinc/54/57/99/850545799.db2.gz LNELNXYUOBGAEL-ZIFCJYIRSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000519043117 850545804 /nfs/dbraw/zinc/54/58/04/850545804.db2.gz LNELNXYUOBGAEL-ZIFCJYIRSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000519043117 850545809 /nfs/dbraw/zinc/54/58/09/850545809.db2.gz LNELNXYUOBGAEL-ZIFCJYIRSA-N 2 1 380.602 3.551 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1c1cccs1 ZINC000439961134 850630951 /nfs/dbraw/zinc/63/09/51/850630951.db2.gz LQUFDKHWAZLRLR-KPFFTGBYSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1c1cccs1 ZINC000439961134 850630960 /nfs/dbraw/zinc/63/09/60/850630960.db2.gz LQUFDKHWAZLRLR-KPFFTGBYSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1c1cccs1 ZINC000439961134 850630967 /nfs/dbraw/zinc/63/09/67/850630967.db2.gz LQUFDKHWAZLRLR-KPFFTGBYSA-N 2 1 375.582 3.654 20 0 GHADMP CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622596 850706820 /nfs/dbraw/zinc/70/68/20/850706820.db2.gz DRPSSTANPCRWBX-AUSIDOKSSA-N 2 1 397.588 3.686 20 0 GHADMP CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622596 850706825 /nfs/dbraw/zinc/70/68/25/850706825.db2.gz DRPSSTANPCRWBX-AUSIDOKSSA-N 2 1 397.588 3.686 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c(Br)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000487552316 850719665 /nfs/dbraw/zinc/71/96/65/850719665.db2.gz PUZRRCSFPUTORY-WBVHZDCISA-N 2 1 391.357 3.573 20 0 GHADMP CCOc1ccc(OCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435682153 850748055 /nfs/dbraw/zinc/74/80/55/850748055.db2.gz CWLCJPNQWMFFFT-IBGZPJMESA-N 2 1 387.549 3.565 20 0 GHADMP CCOc1ccc(OCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435682153 850748060 /nfs/dbraw/zinc/74/80/60/850748060.db2.gz CWLCJPNQWMFFFT-IBGZPJMESA-N 2 1 387.549 3.565 20 0 GHADMP CC[NH+](CC)CCOc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1OC ZINC000519201261 850753446 /nfs/dbraw/zinc/75/34/46/850753446.db2.gz DLJGBCSGQIIBPX-KSZLIROESA-N 2 1 391.556 3.616 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1ccccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692999 850771637 /nfs/dbraw/zinc/77/16/37/850771637.db2.gz HXKMCWOYPQWVMD-OAQYLSRUSA-N 2 1 382.552 3.625 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1ccccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692999 850771646 /nfs/dbraw/zinc/77/16/46/850771646.db2.gz HXKMCWOYPQWVMD-OAQYLSRUSA-N 2 1 382.552 3.625 20 0 GHADMP COc1cccc(NC(=O)CC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435693556 850774427 /nfs/dbraw/zinc/77/44/27/850774427.db2.gz MTDZCIDJKOQHCR-FQEVSTJZSA-N 2 1 399.560 3.730 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435694579 850775272 /nfs/dbraw/zinc/77/52/72/850775272.db2.gz MBKZMANXEWNCHQ-IBGZPJMESA-N 2 1 383.561 3.948 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435694579 850775275 /nfs/dbraw/zinc/77/52/75/850775275.db2.gz MBKZMANXEWNCHQ-IBGZPJMESA-N 2 1 383.561 3.948 20 0 GHADMP Cc1ncsc1C[N@H+](CCCc1nc(-c2ccccc2)no1)C[C@@H]1CC[NH2+]C1 ZINC000435736959 850823654 /nfs/dbraw/zinc/82/36/54/850823654.db2.gz ZTAMBHVIOAYNPN-QGZVFWFLSA-N 2 1 397.548 3.546 20 0 GHADMP Cc1ncsc1C[N@@H+](CCCc1nc(-c2ccccc2)no1)C[C@@H]1CC[NH2+]C1 ZINC000435736959 850823661 /nfs/dbraw/zinc/82/36/61/850823661.db2.gz ZTAMBHVIOAYNPN-QGZVFWFLSA-N 2 1 397.548 3.546 20 0 GHADMP Cc1ncsc1C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000435737175 850823842 /nfs/dbraw/zinc/82/38/42/850823842.db2.gz FLMXZFUKOMTPFN-OAHLLOKOSA-N 2 1 392.956 3.545 20 0 GHADMP Cc1ncsc1C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000435737175 850823848 /nfs/dbraw/zinc/82/38/48/850823848.db2.gz FLMXZFUKOMTPFN-OAHLLOKOSA-N 2 1 392.956 3.545 20 0 GHADMP C[N@@H+](CCC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000515579897 851217727 /nfs/dbraw/zinc/21/77/27/851217727.db2.gz GUVGQYWHYQXFHY-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000515579897 851217741 /nfs/dbraw/zinc/21/77/41/851217741.db2.gz GUVGQYWHYQXFHY-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000515579897 851217751 /nfs/dbraw/zinc/21/77/51/851217751.db2.gz GUVGQYWHYQXFHY-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP COc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167968213 851255777 /nfs/dbraw/zinc/25/57/77/851255777.db2.gz OBHCHGULWZCZLP-AYHJJNSGSA-N 2 1 379.342 3.953 20 0 GHADMP COc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968213 851255786 /nfs/dbraw/zinc/25/57/86/851255786.db2.gz OBHCHGULWZCZLP-AYHJJNSGSA-N 2 1 379.342 3.953 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000488202806 851266616 /nfs/dbraw/zinc/26/66/16/851266616.db2.gz OXGIGKWMKVSICH-LJQANCHMSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000488202806 851266625 /nfs/dbraw/zinc/26/66/25/851266625.db2.gz OXGIGKWMKVSICH-LJQANCHMSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488202806 851266634 /nfs/dbraw/zinc/26/66/34/851266634.db2.gz OXGIGKWMKVSICH-LJQANCHMSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000488321338 851391703 /nfs/dbraw/zinc/39/17/03/851391703.db2.gz GXMXBCCVWIDYGI-HXUWFJFHSA-N 2 1 385.596 3.870 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000514213267 851394931 /nfs/dbraw/zinc/39/49/31/851394931.db2.gz FKCOLPIQEWAYQY-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436291966 851428250 /nfs/dbraw/zinc/42/82/50/851428250.db2.gz RGEDHVGPCTYAIN-UHFFFAOYSA-N 2 1 380.511 3.734 20 0 GHADMP C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440450216 851436657 /nfs/dbraw/zinc/43/66/57/851436657.db2.gz GPYPODWOTVSTNO-UHFFFAOYSA-N 2 1 387.474 3.890 20 0 GHADMP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440450216 851436670 /nfs/dbraw/zinc/43/66/70/851436670.db2.gz GPYPODWOTVSTNO-UHFFFAOYSA-N 2 1 387.474 3.890 20 0 GHADMP CCN1CCC[C@@H](C[N@@H+](C)CCCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434747626 851615346 /nfs/dbraw/zinc/61/53/46/851615346.db2.gz MHFDGAWLXODXTR-NZQKXSOJSA-N 2 1 384.568 3.984 20 0 GHADMP CCN(C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434736197 851619911 /nfs/dbraw/zinc/61/99/11/851619911.db2.gz KUMRKBVGPNXUJL-GOSISDBHSA-N 2 1 380.536 3.840 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)c1ccccc1 ZINC000171457922 862266454 /nfs/dbraw/zinc/26/64/54/862266454.db2.gz QGRXIVSVSBBMGV-QHCPKHFHSA-N 2 1 394.563 3.850 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000550143229 851743121 /nfs/dbraw/zinc/74/31/21/851743121.db2.gz XTXINLFOJJYBRO-UXHICEINSA-N 2 1 394.600 3.902 20 0 GHADMP COc1cccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)c1 ZINC001167975875 851853264 /nfs/dbraw/zinc/85/32/64/851853264.db2.gz YOTWJFVBVCSNCK-FRIKZZABSA-N 2 1 384.564 3.782 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428315171 862293879 /nfs/dbraw/zinc/29/38/79/862293879.db2.gz YPRORUAFDKWWOI-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)CC3 ZINC000180724191 862298471 /nfs/dbraw/zinc/29/84/71/862298471.db2.gz VHEUNMWASOGFIG-IBGZPJMESA-N 2 1 389.547 3.999 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000111814052 851954051 /nfs/dbraw/zinc/95/40/51/851954051.db2.gz MIKVNVSKVLFTLC-LJQANCHMSA-N 2 1 386.584 3.733 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000489070487 851967331 /nfs/dbraw/zinc/96/73/31/851967331.db2.gz AGDIOEFKUCEVRS-SIKLNZKXSA-N 2 1 386.584 3.633 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111881540 851968797 /nfs/dbraw/zinc/96/87/97/851968797.db2.gz UIRRQNZZDADIHU-NOTZXAQLSA-N 2 1 398.595 3.794 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cscc1C(F)F ZINC000896874242 862307527 /nfs/dbraw/zinc/30/75/27/862307527.db2.gz ORFXHWBYFLDVIS-UHFFFAOYSA-N 2 1 399.551 3.954 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000438141832 852076751 /nfs/dbraw/zinc/07/67/51/852076751.db2.gz LHTRSNYNHVQJPG-JOCHJYFZSA-N 2 1 390.616 3.880 20 0 GHADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167983768 852200246 /nfs/dbraw/zinc/20/02/46/852200246.db2.gz HLPCXZMQAQKSQE-BLMTVLTRSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167983768 852200259 /nfs/dbraw/zinc/20/02/59/852200259.db2.gz HLPCXZMQAQKSQE-BLMTVLTRSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167983768 852200272 /nfs/dbraw/zinc/20/02/72/852200272.db2.gz HLPCXZMQAQKSQE-BLMTVLTRSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167983768 852200283 /nfs/dbraw/zinc/20/02/83/852200283.db2.gz HLPCXZMQAQKSQE-BLMTVLTRSA-N 2 1 377.573 3.723 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)c1 ZINC000517642830 852219266 /nfs/dbraw/zinc/21/92/66/852219266.db2.gz ZNCUOYZUHQFDJI-HSZRJFAPSA-N 2 1 379.548 3.808 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000517642830 852219275 /nfs/dbraw/zinc/21/92/75/852219275.db2.gz ZNCUOYZUHQFDJI-HSZRJFAPSA-N 2 1 379.548 3.808 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000517642830 852219285 /nfs/dbraw/zinc/21/92/85/852219285.db2.gz ZNCUOYZUHQFDJI-HSZRJFAPSA-N 2 1 379.548 3.808 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3CC(F)(F)F)CC2)CC1 ZINC000516192784 852252612 /nfs/dbraw/zinc/25/26/12/852252612.db2.gz KBQVVRGFKLMVHJ-UHFFFAOYSA-N 2 1 397.485 3.926 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489361181 852268913 /nfs/dbraw/zinc/26/89/13/852268913.db2.gz MYEXUBCQCMEMNM-LWSSLDFYSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+](C)Cc1ccccc1 ZINC000517701801 852292582 /nfs/dbraw/zinc/29/25/82/852292582.db2.gz WDNODRIOEAHBEZ-SIKLNZKXSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+](C)Cc1ccccc1 ZINC000517701801 852292590 /nfs/dbraw/zinc/29/25/90/852292590.db2.gz WDNODRIOEAHBEZ-SIKLNZKXSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000517701801 852292599 /nfs/dbraw/zinc/29/25/99/852292599.db2.gz WDNODRIOEAHBEZ-SIKLNZKXSA-N 2 1 397.538 3.674 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425997278 852342620 /nfs/dbraw/zinc/34/26/20/852342620.db2.gz WUIVQTFJVQJSKY-HXUWFJFHSA-N 2 1 378.438 3.774 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425997278 852342623 /nfs/dbraw/zinc/34/26/23/852342623.db2.gz WUIVQTFJVQJSKY-HXUWFJFHSA-N 2 1 378.438 3.774 20 0 GHADMP CCc1ccc(CNC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000489657627 852511586 /nfs/dbraw/zinc/51/15/86/852511586.db2.gz HGWYQRGZUKNONX-UHFFFAOYSA-N 2 1 399.604 3.771 20 0 GHADMP CCc1ccc(CNC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000489657627 852511595 /nfs/dbraw/zinc/51/15/95/852511595.db2.gz HGWYQRGZUKNONX-UHFFFAOYSA-N 2 1 399.604 3.771 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000505914484 852568782 /nfs/dbraw/zinc/56/87/82/852568782.db2.gz ZLEGPSAVAQUAOE-YMPZKCBVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000505914484 852568792 /nfs/dbraw/zinc/56/87/92/852568792.db2.gz ZLEGPSAVAQUAOE-YMPZKCBVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000505914484 852568803 /nfs/dbraw/zinc/56/88/03/852568803.db2.gz ZLEGPSAVAQUAOE-YMPZKCBVSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000517907476 852609211 /nfs/dbraw/zinc/60/92/11/852609211.db2.gz BBKLGQIEZOXPOK-UHFFFAOYSA-N 2 1 384.572 3.563 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000426089596 852657945 /nfs/dbraw/zinc/65/79/45/852657945.db2.gz NJDSVPRMQPHHDR-QHCPKHFHSA-N 2 1 380.536 3.924 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000490057665 852741199 /nfs/dbraw/zinc/74/11/99/852741199.db2.gz HVBIDUFKBATKGU-HSZRJFAPSA-N 2 1 382.552 3.889 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000490057665 852741208 /nfs/dbraw/zinc/74/12/08/852741208.db2.gz HVBIDUFKBATKGU-HSZRJFAPSA-N 2 1 382.552 3.889 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000507376008 852830354 /nfs/dbraw/zinc/83/03/54/852830354.db2.gz FHLKCVGIPVDFBU-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000507376008 852830362 /nfs/dbraw/zinc/83/03/62/852830362.db2.gz FHLKCVGIPVDFBU-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000507376008 852830372 /nfs/dbraw/zinc/83/03/72/852830372.db2.gz FHLKCVGIPVDFBU-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000507393049 852855238 /nfs/dbraw/zinc/85/52/38/852855238.db2.gz VSYROSZZOWZTPC-OALUTQOASA-N 2 1 392.613 3.552 20 0 GHADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000518137239 852883172 /nfs/dbraw/zinc/88/31/72/852883172.db2.gz BOIZLAJWNGLALD-GOSISDBHSA-N 2 1 386.584 3.720 20 0 GHADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](CC)CC ZINC000469534954 852903752 /nfs/dbraw/zinc/90/37/52/852903752.db2.gz GNAFGBBYOAWEMX-ZWKOTPCHSA-N 2 1 385.474 3.516 20 0 GHADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000507460766 852934113 /nfs/dbraw/zinc/93/41/13/852934113.db2.gz JIXCRTFFZOZLSI-LJQANCHMSA-N 2 1 397.563 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@](F)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167961975 852978492 /nfs/dbraw/zinc/97/84/92/852978492.db2.gz RFVGPDMAAUPOOW-SOUXKNCUSA-N 2 1 395.563 3.721 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@](F)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961975 852978503 /nfs/dbraw/zinc/97/85/03/852978503.db2.gz RFVGPDMAAUPOOW-SOUXKNCUSA-N 2 1 395.563 3.721 20 0 GHADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)CC2 ZINC000507521841 853004305 /nfs/dbraw/zinc/00/43/05/853004305.db2.gz BBKGONHOIKOKMP-JMJGKCIBSA-N 2 1 378.564 3.822 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437347660 853044855 /nfs/dbraw/zinc/04/48/55/853044855.db2.gz PNQIOGSGGYZLMM-UYAOXDASSA-N 2 1 387.568 3.720 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506054994 853177229 /nfs/dbraw/zinc/17/72/29/853177229.db2.gz GMERDLPBHYMELH-AZUAARDMSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506054994 853177231 /nfs/dbraw/zinc/17/72/31/853177231.db2.gz GMERDLPBHYMELH-AZUAARDMSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506054994 853177237 /nfs/dbraw/zinc/17/72/37/853177237.db2.gz GMERDLPBHYMELH-AZUAARDMSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000518291483 853185903 /nfs/dbraw/zinc/18/59/03/853185903.db2.gz SUNRCYOGMQCGJZ-DENIHFKCSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472355 853223832 /nfs/dbraw/zinc/22/38/32/853223832.db2.gz TVTFSNSWVQOPHY-PMACEKPBSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472355 853223844 /nfs/dbraw/zinc/22/38/44/853223844.db2.gz TVTFSNSWVQOPHY-PMACEKPBSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472355 853223845 /nfs/dbraw/zinc/22/38/45/853223845.db2.gz TVTFSNSWVQOPHY-PMACEKPBSA-N 2 1 397.563 3.649 20 0 GHADMP O=C1C[C@H](c2ccccc2)C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)N1 ZINC001167987402 853249555 /nfs/dbraw/zinc/24/95/55/853249555.db2.gz BJOAWFMALHGIER-HNTVYWHESA-N 2 1 393.575 3.530 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C/C(C)=C\c3ccccc3)CC2)CC1 ZINC000517039468 853283553 /nfs/dbraw/zinc/28/35/53/853283553.db2.gz FHLLMTUXKVDVBO-ZZEZOPTASA-N 2 1 383.580 3.745 20 0 GHADMP Cc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)nc(N2CCCC2)n1 ZINC000426292499 853352057 /nfs/dbraw/zinc/35/20/57/853352057.db2.gz VOYWWSLEURTCIV-UHFFFAOYSA-N 2 1 393.579 3.918 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1)c1ccc(C)cc1 ZINC000261946510 853379376 /nfs/dbraw/zinc/37/93/76/853379376.db2.gz FLLATFPOVSKIRB-UHFFFAOYSA-N 2 1 384.549 3.712 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1)c1ccc(C)cc1 ZINC000261946510 853379382 /nfs/dbraw/zinc/37/93/82/853379382.db2.gz FLLATFPOVSKIRB-UHFFFAOYSA-N 2 1 384.549 3.712 20 0 GHADMP CC(C)c1sc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc1-c1ccccc1 ZINC000517236923 853544775 /nfs/dbraw/zinc/54/47/75/853544775.db2.gz XHUONWHEZAHURI-HDICACEKSA-N 2 1 398.576 3.803 20 0 GHADMP O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377344 853603681 /nfs/dbraw/zinc/60/36/81/853603681.db2.gz DAVUHVXVDPDNBL-JOCHJYFZSA-N 2 1 387.593 3.551 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000570939794 853655513 /nfs/dbraw/zinc/65/55/13/853655513.db2.gz MTIMDSBPIMHQNL-UHFFFAOYSA-N 2 1 393.575 3.775 20 0 GHADMP CSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000439484678 853710872 /nfs/dbraw/zinc/71/08/72/853710872.db2.gz FYVOLPIZAQLLTB-DBXWQHBBSA-N 2 1 397.588 3.838 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964680 853721956 /nfs/dbraw/zinc/72/19/56/853721956.db2.gz WCKSGBOMRJWBIF-DGDSNLKDSA-N 2 1 377.573 3.817 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccccc3OC)cc2)CC1 ZINC000520203041 853952289 /nfs/dbraw/zinc/95/22/89/853952289.db2.gz BGJMWSFNTKHLKX-VURMDHGXSA-N 2 1 379.548 3.636 20 0 GHADMP CC[N@H+](C)[C@@H](c1nc(-c2cccc(OCC[NH+](C)C)c2)no1)c1ccccc1 ZINC000571683684 853984923 /nfs/dbraw/zinc/98/49/23/853984923.db2.gz KCPUSKSISUJNKP-HXUWFJFHSA-N 2 1 380.492 3.718 20 0 GHADMP CC[N@@H+](C)[C@@H](c1nc(-c2cccc(OCC[NH+](C)C)c2)no1)c1ccccc1 ZINC000571683684 853984926 /nfs/dbraw/zinc/98/49/26/853984926.db2.gz KCPUSKSISUJNKP-HXUWFJFHSA-N 2 1 380.492 3.718 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000571710105 853996408 /nfs/dbraw/zinc/99/64/08/853996408.db2.gz GFHYINGYHVEQFD-GCJKJVERSA-N 2 1 387.543 3.513 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168380738 854011119 /nfs/dbraw/zinc/01/11/19/854011119.db2.gz SWGQTHJEWFWMIR-UHFFFAOYSA-N 2 1 394.563 3.539 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C1CC[NH+](CC3CC3)CC1)C2 ZINC001168380738 854011124 /nfs/dbraw/zinc/01/11/24/854011124.db2.gz SWGQTHJEWFWMIR-UHFFFAOYSA-N 2 1 394.563 3.539 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000894979994 854330474 /nfs/dbraw/zinc/33/04/74/854330474.db2.gz CGPGUAYOVWTOQP-NRFANRHFSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000623970847 862557310 /nfs/dbraw/zinc/55/73/10/862557310.db2.gz BTHWLQQNDQOAED-KBPBESRZSA-N 2 1 393.881 3.775 20 0 GHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000623970847 862557313 /nfs/dbraw/zinc/55/73/13/862557313.db2.gz BTHWLQQNDQOAED-KBPBESRZSA-N 2 1 393.881 3.775 20 0 GHADMP c1ccc(-c2ncnc3c2CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001167994041 854412622 /nfs/dbraw/zinc/41/26/22/854412622.db2.gz WZDPHKMKGIJBOW-CBQGHPETSA-N 2 1 388.559 3.950 20 0 GHADMP c1ccc(-c2ncnc3c2CC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001167994041 854412626 /nfs/dbraw/zinc/41/26/26/854412626.db2.gz WZDPHKMKGIJBOW-CBQGHPETSA-N 2 1 388.559 3.950 20 0 GHADMP c1ccc(-c2ncnc3c2CC[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001167994041 854412633 /nfs/dbraw/zinc/41/26/33/854412633.db2.gz WZDPHKMKGIJBOW-CBQGHPETSA-N 2 1 388.559 3.950 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550390732 854433159 /nfs/dbraw/zinc/43/31/59/854433159.db2.gz GGTOATBJPAJVSD-JENIJYKNSA-N 2 1 385.939 3.770 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550390732 854433167 /nfs/dbraw/zinc/43/31/67/854433167.db2.gz GGTOATBJPAJVSD-JENIJYKNSA-N 2 1 385.939 3.770 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)C[C@H]1C ZINC000458897201 854478292 /nfs/dbraw/zinc/47/82/92/854478292.db2.gz OZQLUEWUMLKLNC-KPFFTGBYSA-N 2 1 392.613 3.525 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)cc1)C(C)C ZINC000481985577 862579302 /nfs/dbraw/zinc/57/93/02/862579302.db2.gz PSIYCBYHIDFJAM-UHFFFAOYSA-N 2 1 385.527 3.918 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1)C(C)C ZINC000481985577 862579305 /nfs/dbraw/zinc/57/93/05/862579305.db2.gz PSIYCBYHIDFJAM-UHFFFAOYSA-N 2 1 385.527 3.918 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1)C(C)C ZINC000481985577 862579308 /nfs/dbraw/zinc/57/93/08/862579308.db2.gz PSIYCBYHIDFJAM-UHFFFAOYSA-N 2 1 385.527 3.918 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000604873510 862589221 /nfs/dbraw/zinc/58/92/21/862589221.db2.gz JEXIPLDYVHJIHJ-FQEVSTJZSA-N 2 1 389.927 3.912 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000604873510 862589234 /nfs/dbraw/zinc/58/92/34/862589234.db2.gz JEXIPLDYVHJIHJ-FQEVSTJZSA-N 2 1 389.927 3.912 20 0 GHADMP COC(=O)[C@@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572523647 854861686 /nfs/dbraw/zinc/86/16/86/854861686.db2.gz JFGQSBHQICYKGR-UPVQGACJSA-N 2 1 392.543 3.904 20 0 GHADMP COC(=O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572523647 854861689 /nfs/dbraw/zinc/86/16/89/854861689.db2.gz JFGQSBHQICYKGR-UPVQGACJSA-N 2 1 392.543 3.904 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Cc1ccccc1 ZINC000647987342 855468539 /nfs/dbraw/zinc/46/85/39/855468539.db2.gz UIMRFRYZOVTJCZ-VXKWHMMOSA-N 2 1 377.532 3.537 20 0 GHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000590778131 855579480 /nfs/dbraw/zinc/57/94/80/855579480.db2.gz GALUTXXWANSDEA-LAWREARLSA-N 2 1 382.573 3.957 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000674015769 862696046 /nfs/dbraw/zinc/69/60/46/862696046.db2.gz MOHRYPUTYLPKPB-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674015769 862696053 /nfs/dbraw/zinc/69/60/53/862696053.db2.gz MOHRYPUTYLPKPB-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674015769 862696062 /nfs/dbraw/zinc/69/60/62/862696062.db2.gz MOHRYPUTYLPKPB-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)CC(C)C ZINC000107934060 855624091 /nfs/dbraw/zinc/62/40/91/855624091.db2.gz TWNPQGKNFGGSDD-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106294 855654173 /nfs/dbraw/zinc/65/41/73/855654173.db2.gz ZTCDFKLVMQYKEK-LJQANCHMSA-N 2 1 393.531 3.797 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)c2)C1 ZINC000765868949 855839667 /nfs/dbraw/zinc/83/96/67/855839667.db2.gz VHBZTFZLWXAZDF-KAOXLYBCSA-N 2 1 383.580 3.832 20 0 GHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573121458 855852230 /nfs/dbraw/zinc/85/22/30/855852230.db2.gz DDOYWBFUMRDRKE-NQIIRXRSSA-N 2 1 393.531 3.687 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591430745 855975025 /nfs/dbraw/zinc/97/50/25/855975025.db2.gz RTYUDWJVGNGTRM-PMACEKPBSA-N 2 1 387.568 3.544 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760828882 855989812 /nfs/dbraw/zinc/98/98/12/855989812.db2.gz ZSKVWUFHDBDMSG-PMACEKPBSA-N 2 1 394.991 3.897 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760828882 855989817 /nfs/dbraw/zinc/98/98/17/855989817.db2.gz ZSKVWUFHDBDMSG-PMACEKPBSA-N 2 1 394.991 3.897 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482148780 862744843 /nfs/dbraw/zinc/74/48/43/862744843.db2.gz HJHYKEOXRCYATH-FHWLQOOXSA-N 2 1 375.557 3.903 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482148782 862744908 /nfs/dbraw/zinc/74/49/08/862744908.db2.gz HJHYKEOXRCYATH-IPMKNSEASA-N 2 1 375.557 3.903 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000760827462 856005821 /nfs/dbraw/zinc/00/58/21/856005821.db2.gz BCQXCUWZQWRDRN-VQTJNVASSA-N 2 1 379.589 3.972 20 0 GHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029840378 856071401 /nfs/dbraw/zinc/07/14/01/856071401.db2.gz BNRUDICXFKMBSY-UHFFFAOYSA-N 2 1 391.559 3.851 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000520703811 856074363 /nfs/dbraw/zinc/07/43/63/856074363.db2.gz UYRQHMUGLLCVBD-SIKLNZKXSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000520703811 856074371 /nfs/dbraw/zinc/07/43/71/856074371.db2.gz UYRQHMUGLLCVBD-SIKLNZKXSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000520703811 856074378 /nfs/dbraw/zinc/07/43/78/856074378.db2.gz UYRQHMUGLLCVBD-SIKLNZKXSA-N 2 1 398.595 3.877 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000057844079 856235593 /nfs/dbraw/zinc/23/55/93/856235593.db2.gz AWWJBICWVGBYCO-UHFFFAOYSA-N 2 1 383.511 3.998 20 0 GHADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000189912410 856264582 /nfs/dbraw/zinc/26/45/82/856264582.db2.gz RUHBNMMKQXNURM-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000189912410 856264594 /nfs/dbraw/zinc/26/45/94/856264594.db2.gz RUHBNMMKQXNURM-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+]1C ZINC000172614921 856300827 /nfs/dbraw/zinc/30/08/27/856300827.db2.gz BRKONZQZODHJOW-WMZHIEFXSA-N 2 1 379.548 3.873 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000172614921 856300841 /nfs/dbraw/zinc/30/08/41/856300841.db2.gz BRKONZQZODHJOW-WMZHIEFXSA-N 2 1 379.548 3.873 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000172614921 856300851 /nfs/dbraw/zinc/30/08/51/856300851.db2.gz BRKONZQZODHJOW-WMZHIEFXSA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H](C)[NH3+] ZINC000573603494 856310670 /nfs/dbraw/zinc/31/06/70/856310670.db2.gz BJLVXGFPICHWPU-FZKQIMNGSA-N 2 1 386.367 3.693 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC[C@H]21 ZINC000485324264 856364681 /nfs/dbraw/zinc/36/46/81/856364681.db2.gz RDNKRVRVACVJKJ-VIZSFHNOSA-N 2 1 397.588 3.760 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC[C@H]21 ZINC000485324264 856364688 /nfs/dbraw/zinc/36/46/88/856364688.db2.gz RDNKRVRVACVJKJ-VIZSFHNOSA-N 2 1 397.588 3.760 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC[C@H]21 ZINC000485324264 856364696 /nfs/dbraw/zinc/36/46/96/856364696.db2.gz RDNKRVRVACVJKJ-VIZSFHNOSA-N 2 1 397.588 3.760 20 0 GHADMP C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485356634 856391909 /nfs/dbraw/zinc/39/19/09/856391909.db2.gz KDKHYSJTUJXVFU-RRPUWOKSSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485356634 856391918 /nfs/dbraw/zinc/39/19/18/856391918.db2.gz KDKHYSJTUJXVFU-RRPUWOKSSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485356634 856391921 /nfs/dbraw/zinc/39/19/21/856391921.db2.gz KDKHYSJTUJXVFU-RRPUWOKSSA-N 2 1 377.532 3.682 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000429232177 856396211 /nfs/dbraw/zinc/39/62/11/856396211.db2.gz AQFKVJUBWRNMFJ-OALUTQOASA-N 2 1 382.552 3.914 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000429232177 856396223 /nfs/dbraw/zinc/39/62/23/856396223.db2.gz AQFKVJUBWRNMFJ-OALUTQOASA-N 2 1 382.552 3.914 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172415954 856429613 /nfs/dbraw/zinc/42/96/13/856429613.db2.gz MHTGZMPFHPDGMA-HXUWFJFHSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415954 856429618 /nfs/dbraw/zinc/42/96/18/856429618.db2.gz MHTGZMPFHPDGMA-HXUWFJFHSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172415954 856429623 /nfs/dbraw/zinc/42/96/23/856429623.db2.gz MHTGZMPFHPDGMA-HXUWFJFHSA-N 2 1 387.543 3.515 20 0 GHADMP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000573806851 856491944 /nfs/dbraw/zinc/49/19/44/856491944.db2.gz PQZYOBQXKAXOOX-KRWDZBQOSA-N 2 1 398.576 3.597 20 0 GHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000043771588 856578194 /nfs/dbraw/zinc/57/81/94/856578194.db2.gz ONBPKXWGPYEEJS-SFHVURJKSA-N 2 1 397.588 3.911 20 0 GHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000043771588 856578216 /nfs/dbraw/zinc/57/82/16/856578216.db2.gz ONBPKXWGPYEEJS-SFHVURJKSA-N 2 1 397.588 3.911 20 0 GHADMP CCc1cccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000432668558 862814246 /nfs/dbraw/zinc/81/42/46/862814246.db2.gz JNULCHAWLAJAIR-HXUWFJFHSA-N 2 1 383.561 3.893 20 0 GHADMP CCc1cccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000432668558 862814261 /nfs/dbraw/zinc/81/42/61/862814261.db2.gz JNULCHAWLAJAIR-HXUWFJFHSA-N 2 1 383.561 3.893 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC)[C@H](C)C1 ZINC000181261600 862815295 /nfs/dbraw/zinc/81/52/95/862815295.db2.gz PJFSMFLMLFEAAS-CRAIPNDOSA-N 2 1 399.373 3.684 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC)[C@H](C)C1 ZINC000181261600 862815312 /nfs/dbraw/zinc/81/53/12/862815312.db2.gz PJFSMFLMLFEAAS-CRAIPNDOSA-N 2 1 399.373 3.684 20 0 GHADMP CC(C)(C[C@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919968 856616814 /nfs/dbraw/zinc/61/68/14/856616814.db2.gz BVCNBKQWPXKHND-RTWAWAEBSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919968 856616820 /nfs/dbraw/zinc/61/68/20/856616820.db2.gz BVCNBKQWPXKHND-RTWAWAEBSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919968 856616830 /nfs/dbraw/zinc/61/68/30/856616830.db2.gz BVCNBKQWPXKHND-RTWAWAEBSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919968 856616836 /nfs/dbraw/zinc/61/68/36/856616836.db2.gz BVCNBKQWPXKHND-RTWAWAEBSA-N 2 1 383.580 3.797 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000542885136 856650693 /nfs/dbraw/zinc/65/06/93/856650693.db2.gz PXVDDPBZMNFMQV-SGGRRFJASA-N 2 1 392.547 3.916 20 0 GHADMP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3n[nH]c4ccccc34)CC2)cc1 ZINC000674045454 862857662 /nfs/dbraw/zinc/85/76/62/862857662.db2.gz INGJCNOVCWIBKB-UHFFFAOYSA-N 2 1 378.520 3.724 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCCC1)c1ccccc1 ZINC000485782002 857088112 /nfs/dbraw/zinc/08/81/12/857088112.db2.gz ZVKYFHFLBWOTQT-BVSLBCMMSA-N 2 1 398.595 3.776 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000508258854 857113415 /nfs/dbraw/zinc/11/34/15/857113415.db2.gz VYELKEMYLXBSCN-XMMPIXPASA-N 2 1 377.576 3.920 20 0 GHADMP CCOc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc(Br)c1O ZINC000508324853 857165987 /nfs/dbraw/zinc/16/59/87/857165987.db2.gz KNNPFNMPNKHMJR-UHFFFAOYSA-N 2 1 385.346 3.765 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428224287 857204278 /nfs/dbraw/zinc/20/42/78/857204278.db2.gz CJDNVAAZMSBPAL-OJJQZRKESA-N 3 1 399.623 3.504 20 0 GHADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428224287 857204285 /nfs/dbraw/zinc/20/42/85/857204285.db2.gz CJDNVAAZMSBPAL-OJJQZRKESA-N 3 1 399.623 3.504 20 0 GHADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428224287 857204293 /nfs/dbraw/zinc/20/42/93/857204293.db2.gz CJDNVAAZMSBPAL-OJJQZRKESA-N 3 1 399.623 3.504 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@@H]3C2)cc1 ZINC000656537877 857337443 /nfs/dbraw/zinc/33/74/43/857337443.db2.gz GOOBWFCHKPUQNO-FTBPSBKWSA-N 3 1 390.575 3.941 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000486076758 857397245 /nfs/dbraw/zinc/39/72/45/857397245.db2.gz HFDAHBVMVLILNI-UHFFFAOYSA-N 2 1 379.548 3.732 20 0 GHADMP C[C@@H](CO)[NH+](Cc1cccc(C[N@H+]([C@@H](C)CO)C2CCCC2)c1)C1CCCC1 ZINC000672554570 857461035 /nfs/dbraw/zinc/46/10/35/857461035.db2.gz ZAJBVZBPBCIGKD-PMACEKPBSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000521056403 857550626 /nfs/dbraw/zinc/55/06/26/857550626.db2.gz FEWULRKXWJRCMF-RTBURBONSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1CCc2ccccc2C1 ZINC000521056403 857550633 /nfs/dbraw/zinc/55/06/33/857550633.db2.gz FEWULRKXWJRCMF-RTBURBONSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCc2ccccc2C1 ZINC000521056403 857550639 /nfs/dbraw/zinc/55/06/39/857550639.db2.gz FEWULRKXWJRCMF-RTBURBONSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCc2ccccc2C1 ZINC000521056403 857550646 /nfs/dbraw/zinc/55/06/46/857550646.db2.gz FEWULRKXWJRCMF-RTBURBONSA-N 2 1 397.588 3.523 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000675786864 857613161 /nfs/dbraw/zinc/61/31/61/857613161.db2.gz IECRWCVFSYDWLK-JOCHJYFZSA-N 2 1 378.564 3.548 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786983 857613287 /nfs/dbraw/zinc/61/32/87/857613287.db2.gz PEGHMNNOBWSPRI-CTNGQTDRSA-N 2 1 375.520 3.830 20 0 GHADMP c1ncn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)n1 ZINC000679841400 857718659 /nfs/dbraw/zinc/71/86/59/857718659.db2.gz VVYZBSDHIKEQRU-PKTZIBPZSA-N 2 1 387.531 3.710 20 0 GHADMP COc1cccc(Cl)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000605322210 862944944 /nfs/dbraw/zinc/94/49/44/862944944.db2.gz KXNITTDLLIVKQD-OAQYLSRUSA-N 2 1 387.955 3.817 20 0 GHADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000486487861 857785788 /nfs/dbraw/zinc/78/57/88/857785788.db2.gz KODTVEFEXCMCTH-PXNSSMCTSA-N 2 1 384.520 3.713 20 0 GHADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000486487861 857785794 /nfs/dbraw/zinc/78/57/94/857785794.db2.gz KODTVEFEXCMCTH-PXNSSMCTSA-N 2 1 384.520 3.713 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000065550253 857817348 /nfs/dbraw/zinc/81/73/48/857817348.db2.gz RQSGRHWMMCRCLD-LJQANCHMSA-N 2 1 388.600 3.837 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000065550253 857817355 /nfs/dbraw/zinc/81/73/55/857817355.db2.gz RQSGRHWMMCRCLD-LJQANCHMSA-N 2 1 388.600 3.837 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000065550253 857817360 /nfs/dbraw/zinc/81/73/60/857817360.db2.gz RQSGRHWMMCRCLD-LJQANCHMSA-N 2 1 388.600 3.837 20 0 GHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000499627551 857874224 /nfs/dbraw/zinc/87/42/24/857874224.db2.gz RIKCQKOUVASQMY-UHFFFAOYSA-N 2 1 377.532 3.629 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000499627551 857874234 /nfs/dbraw/zinc/87/42/34/857874234.db2.gz RIKCQKOUVASQMY-UHFFFAOYSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466028862 857901729 /nfs/dbraw/zinc/90/17/29/857901729.db2.gz YQLPFWOYGUOHDQ-WMZHIEFXSA-N 2 1 398.595 3.776 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466032471 857925345 /nfs/dbraw/zinc/92/53/45/857925345.db2.gz AOMIAUQWYRTBBV-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000466032471 857925353 /nfs/dbraw/zinc/92/53/53/857925353.db2.gz AOMIAUQWYRTBBV-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000466032471 857925364 /nfs/dbraw/zinc/92/53/64/857925364.db2.gz AOMIAUQWYRTBBV-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466032469 857925877 /nfs/dbraw/zinc/92/58/77/857925877.db2.gz AOMIAUQWYRTBBV-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000466032469 857925881 /nfs/dbraw/zinc/92/58/81/857925881.db2.gz AOMIAUQWYRTBBV-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000466032469 857925886 /nfs/dbraw/zinc/92/58/86/857925886.db2.gz AOMIAUQWYRTBBV-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH2+]C1(CO)CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000521456604 857999329 /nfs/dbraw/zinc/99/93/29/857999329.db2.gz COSOINKZOUKFAH-HYXAFXHYSA-N 2 1 381.358 3.677 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)CC1 ZINC000574582225 858069905 /nfs/dbraw/zinc/06/99/05/858069905.db2.gz FFMJIZYVVOIMMC-UHFFFAOYSA-N 2 1 397.485 3.926 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2oc1=O ZINC000624204625 862981424 /nfs/dbraw/zinc/98/14/24/862981424.db2.gz CZOWVIXFXKYLIF-QHAWAJNXSA-N 2 1 391.515 3.522 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574754347 858160007 /nfs/dbraw/zinc/16/00/07/858160007.db2.gz XAKRDRXOVRVFNG-FPOVZHCZSA-N 2 1 395.950 3.899 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574754347 858160009 /nfs/dbraw/zinc/16/00/09/858160009.db2.gz XAKRDRXOVRVFNG-FPOVZHCZSA-N 2 1 395.950 3.899 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCCC2 ZINC000181740674 862993487 /nfs/dbraw/zinc/99/34/87/862993487.db2.gz KRZXUOYCTMKZFD-WOJBJXKFSA-N 2 1 375.557 3.831 20 0 GHADMP CSC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000442868917 858186339 /nfs/dbraw/zinc/18/63/39/858186339.db2.gz ADLKRNVEXQHMKE-QGZVFWFLSA-N 2 1 389.531 3.725 20 0 GHADMP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442869902 858187202 /nfs/dbraw/zinc/18/72/02/858187202.db2.gz QEJYYTNGBMTBKC-OAQYLSRUSA-N 2 1 387.612 3.968 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(CC)ccc23)[C@@H](C)C1 ZINC000187020086 863001907 /nfs/dbraw/zinc/00/19/07/863001907.db2.gz HGMWAFFJJMMHGX-LAUBAEHRSA-N 2 1 386.536 3.582 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(CC)ccc23)[C@@H](C)C1 ZINC000187020086 863001922 /nfs/dbraw/zinc/00/19/22/863001922.db2.gz HGMWAFFJJMMHGX-LAUBAEHRSA-N 2 1 386.536 3.582 20 0 GHADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000594927274 858306508 /nfs/dbraw/zinc/30/65/08/858306508.db2.gz UZSLJHNQGOQIDT-UDWWXSAWSA-N 2 1 398.469 3.876 20 0 GHADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000594927274 858306515 /nfs/dbraw/zinc/30/65/15/858306515.db2.gz UZSLJHNQGOQIDT-UDWWXSAWSA-N 2 1 398.469 3.876 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000466122036 858355317 /nfs/dbraw/zinc/35/53/17/858355317.db2.gz ZNWRXDAZQUGEOU-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553123 858358095 /nfs/dbraw/zinc/35/80/95/858358095.db2.gz WBKAUESRFFGUHR-QGWWYQLQSA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553123 858358099 /nfs/dbraw/zinc/35/80/99/858358099.db2.gz WBKAUESRFFGUHR-QGWWYQLQSA-N 2 1 396.938 3.572 20 0 GHADMP CCCOc1c(Br)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000574880462 858382537 /nfs/dbraw/zinc/38/25/37/858382537.db2.gz DXIGKXFPCNXSFA-UHFFFAOYSA-N 2 1 385.346 3.807 20 0 GHADMP O=C(NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000521873729 858390917 /nfs/dbraw/zinc/39/09/17/858390917.db2.gz LGCRZCQJUIQGKH-QFIPXVFZSA-N 2 1 395.522 3.732 20 0 GHADMP O=C(NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000521873729 858390922 /nfs/dbraw/zinc/39/09/22/858390922.db2.gz LGCRZCQJUIQGKH-QFIPXVFZSA-N 2 1 395.522 3.732 20 0 GHADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000575056765 858507292 /nfs/dbraw/zinc/50/72/92/858507292.db2.gz QWKRYKXYVBBKSU-LPHOPBHVSA-N 2 1 397.485 3.694 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000482643388 858718343 /nfs/dbraw/zinc/71/83/43/858718343.db2.gz RVUAQCJZBCDNND-FYYLOGMGSA-N 2 1 395.547 3.633 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000181946132 863060750 /nfs/dbraw/zinc/06/07/50/863060750.db2.gz QEHKHSDXJFWNAA-QZTJIDSGSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000183578411 858777398 /nfs/dbraw/zinc/77/73/98/858777398.db2.gz LSASDCNPVLYOKL-STQMWFEESA-N 2 1 391.503 3.792 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3NC2=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168019413 858777511 /nfs/dbraw/zinc/77/75/11/858777511.db2.gz IWAGNXKPYGYCSU-OXHIVJRSSA-N 2 1 377.532 3.971 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3NC2=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019413 858777516 /nfs/dbraw/zinc/77/75/16/858777516.db2.gz IWAGNXKPYGYCSU-OXHIVJRSSA-N 2 1 377.532 3.971 20 0 GHADMP C[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000499679418 858796912 /nfs/dbraw/zinc/79/69/12/858796912.db2.gz BTLXRRDNJWLVPZ-PZJWPPBQSA-N 2 1 393.579 3.687 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccco1 ZINC000509616920 858812433 /nfs/dbraw/zinc/81/24/33/858812433.db2.gz YAOLFFJGUNHAPG-IZZBFERCSA-N 2 1 398.551 3.671 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC001168712066 858925816 /nfs/dbraw/zinc/92/58/16/858925816.db2.gz HVRSOJOVLPNCGC-SNVBAGLBSA-N 2 1 378.731 3.508 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466656401 858973955 /nfs/dbraw/zinc/97/39/55/858973955.db2.gz AQKBVZKURRUHIS-IRXDYDNUSA-N 2 1 397.485 3.613 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466656401 858973958 /nfs/dbraw/zinc/97/39/58/858973958.db2.gz AQKBVZKURRUHIS-IRXDYDNUSA-N 2 1 397.485 3.613 20 0 GHADMP CSc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443600961 859022475 /nfs/dbraw/zinc/02/24/75/859022475.db2.gz GRDSPUOHRJGCEB-UHFFFAOYSA-N 2 1 375.582 3.935 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466301952 859058666 /nfs/dbraw/zinc/05/86/66/859058666.db2.gz ZIXZUIRTUNSBJL-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466301952 859058670 /nfs/dbraw/zinc/05/86/70/859058670.db2.gz ZIXZUIRTUNSBJL-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466301952 859058675 /nfs/dbraw/zinc/05/86/75/859058675.db2.gz ZIXZUIRTUNSBJL-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712240 859118580 /nfs/dbraw/zinc/11/85/80/859118580.db2.gz UGQIRUHNMOOXGW-LSDHHAIUSA-N 2 1 399.457 3.766 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712240 859118587 /nfs/dbraw/zinc/11/85/87/859118587.db2.gz UGQIRUHNMOOXGW-LSDHHAIUSA-N 2 1 399.457 3.766 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc2ncccc21 ZINC000185742464 859123388 /nfs/dbraw/zinc/12/33/88/859123388.db2.gz SYVDFDWGPDJWOO-OKZBNKHCSA-N 2 1 380.536 3.804 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc2ncccc21 ZINC000185742464 859123393 /nfs/dbraw/zinc/12/33/93/859123393.db2.gz SYVDFDWGPDJWOO-OKZBNKHCSA-N 2 1 380.536 3.804 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754898 859126198 /nfs/dbraw/zinc/12/61/98/859126198.db2.gz BWODLBUTBNUIIL-RIFZZMRRSA-N 2 1 384.486 3.851 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765085 859126979 /nfs/dbraw/zinc/12/69/79/859126979.db2.gz WBSQBXBQMFLAML-HOTGVXAUSA-N 2 1 393.959 3.838 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765085 859126981 /nfs/dbraw/zinc/12/69/81/859126981.db2.gz WBSQBXBQMFLAML-HOTGVXAUSA-N 2 1 393.959 3.838 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000443644138 859153189 /nfs/dbraw/zinc/15/31/89/859153189.db2.gz DDFQVZICFWCCIA-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000443644138 859153194 /nfs/dbraw/zinc/15/31/94/859153194.db2.gz DDFQVZICFWCCIA-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000443644138 859153199 /nfs/dbraw/zinc/15/31/99/859153199.db2.gz DDFQVZICFWCCIA-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000543289760 859158761 /nfs/dbraw/zinc/15/87/61/859158761.db2.gz OYKSPQKFEMWASB-LEWJYISDSA-N 2 1 398.595 3.970 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)ccn1 ZINC000856553677 881392353 /nfs/dbraw/zinc/39/23/53/881392353.db2.gz NVQHPCKUZWVBOA-QFIPXVFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)ccn1 ZINC000856553677 881392401 /nfs/dbraw/zinc/39/24/01/881392401.db2.gz NVQHPCKUZWVBOA-QFIPXVFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)ccn1 ZINC000856553677 881392454 /nfs/dbraw/zinc/39/24/54/881392454.db2.gz NVQHPCKUZWVBOA-QFIPXVFZSA-N 2 1 395.547 3.900 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H](C)C1 ZINC000443657148 859199980 /nfs/dbraw/zinc/19/99/80/859199980.db2.gz SMWSRCXJFVCVLX-ZWKOTPCHSA-N 2 1 375.582 3.542 20 0 GHADMP CC(C)c1oc([C@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)nc1-c1ccccc1 ZINC000923324754 859227524 /nfs/dbraw/zinc/22/75/24/859227524.db2.gz KDCBRUVSEBQFAH-RTBURBONSA-N 2 1 381.520 3.980 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nccn3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000483296227 859278265 /nfs/dbraw/zinc/27/82/65/859278265.db2.gz MAQPZKUPJVUPHJ-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nccn3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000483296227 859278277 /nfs/dbraw/zinc/27/82/77/859278277.db2.gz MAQPZKUPJVUPHJ-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000923483495 859361313 /nfs/dbraw/zinc/36/13/13/859361313.db2.gz ARILCXHVJGEPBS-AWEZNQCLSA-N 2 1 378.929 3.652 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000923483495 859361324 /nfs/dbraw/zinc/36/13/24/859361324.db2.gz ARILCXHVJGEPBS-AWEZNQCLSA-N 2 1 378.929 3.652 20 0 GHADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000597238412 859370998 /nfs/dbraw/zinc/37/09/98/859370998.db2.gz IJCYXEZIUOGLPS-RBBKRZOGSA-N 2 1 376.516 3.544 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1)c1cccc(Cl)c1 ZINC000923497024 859371761 /nfs/dbraw/zinc/37/17/61/859371761.db2.gz KAUZMGAFWWAPIS-HIFRSBDPSA-N 2 1 392.956 3.898 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cs1)c1cccc(Cl)c1 ZINC000923497024 859371768 /nfs/dbraw/zinc/37/17/68/859371768.db2.gz KAUZMGAFWWAPIS-HIFRSBDPSA-N 2 1 392.956 3.898 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000626063246 859437338 /nfs/dbraw/zinc/43/73/38/859437338.db2.gz XFPAJZLZHRNGIX-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483577867 859462340 /nfs/dbraw/zinc/46/23/40/859462340.db2.gz VHQGEZVWXWTCCS-FGZHOGPDSA-N 2 1 394.563 3.910 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483577867 859462343 /nfs/dbraw/zinc/46/23/43/859462343.db2.gz VHQGEZVWXWTCCS-FGZHOGPDSA-N 2 1 394.563 3.910 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CC[C@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)n2c1 ZINC000856559104 881426087 /nfs/dbraw/zinc/42/60/87/881426087.db2.gz MKTYUAPGFSGHKF-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)n2c1 ZINC000856559104 881426102 /nfs/dbraw/zinc/42/61/02/881426102.db2.gz MKTYUAPGFSGHKF-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)n2c1 ZINC000856559104 881426111 /nfs/dbraw/zinc/42/61/11/881426111.db2.gz MKTYUAPGFSGHKF-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP C[C@@H](CC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000483687507 859542463 /nfs/dbraw/zinc/54/24/63/859542463.db2.gz WCUUAQMRELCTDO-ROUUACIJSA-N 2 1 389.565 3.619 20 0 GHADMP COCc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856559370 881436029 /nfs/dbraw/zinc/43/60/29/881436029.db2.gz GFLMZPSBINGDHO-HSZRJFAPSA-N 2 1 383.536 3.722 20 0 GHADMP COCc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856559370 881436270 /nfs/dbraw/zinc/43/62/70/881436270.db2.gz GFLMZPSBINGDHO-HSZRJFAPSA-N 2 1 383.536 3.722 20 0 GHADMP COCc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856559370 881436439 /nfs/dbraw/zinc/43/64/39/881436439.db2.gz GFLMZPSBINGDHO-HSZRJFAPSA-N 2 1 383.536 3.722 20 0 GHADMP O=[S@](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cc(Cl)ccc1Cl ZINC000117878798 859648348 /nfs/dbraw/zinc/64/83/48/859648348.db2.gz BMAFRHNJNUPJJA-DEOSSOPVSA-N 2 1 389.392 3.909 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543427894 859684576 /nfs/dbraw/zinc/68/45/76/859684576.db2.gz GRYICDVDJQQYSJ-DNQXCXABSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543427894 859684585 /nfs/dbraw/zinc/68/45/85/859684585.db2.gz GRYICDVDJQQYSJ-DNQXCXABSA-N 2 1 391.490 3.667 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccnn2-c2ccccc2C)CC1 ZINC000474267911 859734283 /nfs/dbraw/zinc/73/42/83/859734283.db2.gz VFDSHKARMZLGHP-UHFFFAOYSA-N 2 1 384.568 3.751 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484143461 859829436 /nfs/dbraw/zinc/82/94/36/859829436.db2.gz YGCWEALXWZDSHL-IERDGZPVSA-N 2 1 376.447 3.576 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484143461 859829439 /nfs/dbraw/zinc/82/94/39/859829439.db2.gz YGCWEALXWZDSHL-IERDGZPVSA-N 2 1 376.447 3.576 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000484143863 859830926 /nfs/dbraw/zinc/83/09/26/859830926.db2.gz NFSBWVWHKBORSX-AUSIDOKSSA-N 2 1 397.538 3.663 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000484143863 859830932 /nfs/dbraw/zinc/83/09/32/859830932.db2.gz NFSBWVWHKBORSX-AUSIDOKSSA-N 2 1 397.538 3.663 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000765245979 859863420 /nfs/dbraw/zinc/86/34/20/859863420.db2.gz QKRKRFCOIZZYKS-URXFXBBRSA-N 2 1 387.612 3.946 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2ccncc2s1 ZINC000657837098 859976172 /nfs/dbraw/zinc/97/61/72/859976172.db2.gz DBWOQLJYASBYBU-INIZCTEOSA-N 2 1 394.544 3.535 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000484499173 860047611 /nfs/dbraw/zinc/04/76/11/860047611.db2.gz LHDRSLBREBZCJX-LMNJBCLMSA-N 2 1 384.955 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000484499173 860047622 /nfs/dbraw/zinc/04/76/22/860047622.db2.gz LHDRSLBREBZCJX-LMNJBCLMSA-N 2 1 384.955 3.814 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000765523711 860068671 /nfs/dbraw/zinc/06/86/71/860068671.db2.gz AWPXYCCURHADBY-YDHSSHFGSA-N 2 1 384.568 3.968 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000765523711 860068681 /nfs/dbraw/zinc/06/86/81/860068681.db2.gz AWPXYCCURHADBY-YDHSSHFGSA-N 2 1 384.568 3.968 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000465598223 860144512 /nfs/dbraw/zinc/14/45/12/860144512.db2.gz LZIGZJSJNAEHQF-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP Clc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(-n2cncn2)c1 ZINC000474481633 860193067 /nfs/dbraw/zinc/19/30/67/860193067.db2.gz YRRXWUMDFIPUKY-UHFFFAOYSA-N 2 1 395.938 3.717 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000531910245 860232092 /nfs/dbraw/zinc/23/20/92/860232092.db2.gz CTPIXMRNXCGLIC-UHFFFAOYSA-N 2 1 392.425 3.960 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474502757 860239744 /nfs/dbraw/zinc/23/97/44/860239744.db2.gz YCRFFKADMNLGKN-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474502757 860239757 /nfs/dbraw/zinc/23/97/57/860239757.db2.gz YCRFFKADMNLGKN-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000536023634 860264882 /nfs/dbraw/zinc/26/48/82/860264882.db2.gz ULEHGZZDMXILCD-HSZRJFAPSA-N 2 1 392.547 3.658 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000536023634 860264892 /nfs/dbraw/zinc/26/48/92/860264892.db2.gz ULEHGZZDMXILCD-HSZRJFAPSA-N 2 1 392.547 3.658 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000484717686 860285645 /nfs/dbraw/zinc/28/56/45/860285645.db2.gz YSANPOWYNJXFEK-ZPMCFJSWSA-N 2 1 398.526 3.563 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474562210 860353104 /nfs/dbraw/zinc/35/31/04/860353104.db2.gz SAZMJBTVEXLBSF-UDKICSLYSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474562210 860353115 /nfs/dbraw/zinc/35/31/15/860353115.db2.gz SAZMJBTVEXLBSF-UDKICSLYSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474562210 860353125 /nfs/dbraw/zinc/35/31/25/860353125.db2.gz SAZMJBTVEXLBSF-UDKICSLYSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474562210 860353135 /nfs/dbraw/zinc/35/31/35/860353135.db2.gz SAZMJBTVEXLBSF-UDKICSLYSA-N 2 1 387.543 3.654 20 0 GHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1cccc(C(F)(F)F)c1 ZINC000484805234 860362713 /nfs/dbraw/zinc/36/27/13/860362713.db2.gz JXZPWSXECQLHGO-LULLPPNCSA-N 2 1 386.458 3.610 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(Cc3ccccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037704 860432276 /nfs/dbraw/zinc/43/22/76/860432276.db2.gz ZSEVRSVFIPWNQX-RUMRUAAYSA-N 2 1 392.591 3.859 20 0 GHADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532230128 881553860 /nfs/dbraw/zinc/55/38/60/881553860.db2.gz CCLXDKDXGAPKSN-RXVVDRJESA-N 2 1 395.547 3.552 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856583927 881555001 /nfs/dbraw/zinc/55/50/01/881555001.db2.gz UDACGSPMIMKCPU-QHCPKHFHSA-N 2 1 382.552 3.513 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856583927 881555010 /nfs/dbraw/zinc/55/50/10/881555010.db2.gz UDACGSPMIMKCPU-QHCPKHFHSA-N 2 1 382.552 3.513 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856583927 881555023 /nfs/dbraw/zinc/55/50/23/881555023.db2.gz UDACGSPMIMKCPU-QHCPKHFHSA-N 2 1 382.552 3.513 20 0 GHADMP CCc1cccc(OCC[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c1 ZINC000856593245 881566762 /nfs/dbraw/zinc/56/67/62/881566762.db2.gz QQPMPEYOZZQOMH-HSZRJFAPSA-N 2 1 383.536 3.628 20 0 GHADMP CCc1cccc(OCC[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856593245 881566766 /nfs/dbraw/zinc/56/67/66/881566766.db2.gz QQPMPEYOZZQOMH-HSZRJFAPSA-N 2 1 383.536 3.628 20 0 GHADMP CCc1cccc(OCC[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856593245 881566771 /nfs/dbraw/zinc/56/67/71/881566771.db2.gz QQPMPEYOZZQOMH-HSZRJFAPSA-N 2 1 383.536 3.628 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600747 881575138 /nfs/dbraw/zinc/57/51/38/881575138.db2.gz WSNZIWLQTLVGHT-HSZRJFAPSA-N 2 1 395.547 3.553 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600747 881575146 /nfs/dbraw/zinc/57/51/46/881575146.db2.gz WSNZIWLQTLVGHT-HSZRJFAPSA-N 2 1 395.547 3.553 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600747 881575151 /nfs/dbraw/zinc/57/51/51/881575151.db2.gz WSNZIWLQTLVGHT-HSZRJFAPSA-N 2 1 395.547 3.553 20 0 GHADMP CO[C@H](C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604354 881582937 /nfs/dbraw/zinc/58/29/37/881582937.db2.gz NEMPDZYMDXOOML-DHIUTWEWSA-N 2 1 383.536 3.763 20 0 GHADMP CO[C@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604354 881582945 /nfs/dbraw/zinc/58/29/45/881582945.db2.gz NEMPDZYMDXOOML-DHIUTWEWSA-N 2 1 383.536 3.763 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)[C@H]1C ZINC000474821880 860816302 /nfs/dbraw/zinc/81/63/02/860816302.db2.gz MZQNACUOLFSUIC-SPEDKVCISA-N 2 1 384.520 3.979 20 0 GHADMP CO[C@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604354 881582963 /nfs/dbraw/zinc/58/29/63/881582963.db2.gz NEMPDZYMDXOOML-DHIUTWEWSA-N 2 1 383.536 3.763 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)C1CCCCC1 ZINC000555430405 860876644 /nfs/dbraw/zinc/87/66/44/860876644.db2.gz ZAQVFZOYBSMJJS-BWAGFHJFSA-N 2 1 392.632 3.934 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000623342773 860890394 /nfs/dbraw/zinc/89/03/94/860890394.db2.gz NKDJICCFNTYCSX-RTBURBONSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[NH+](C)C2)cc1 ZINC000623454387 861080396 /nfs/dbraw/zinc/08/03/96/861080396.db2.gz BXXXNCXYRPSCAS-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623454387 861080416 /nfs/dbraw/zinc/08/04/16/861080416.db2.gz BXXXNCXYRPSCAS-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623454387 861080436 /nfs/dbraw/zinc/08/04/36/861080436.db2.gz BXXXNCXYRPSCAS-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000482443092 863129860 /nfs/dbraw/zinc/12/98/60/863129860.db2.gz FIUPXHMZYZACGG-HNNXBMFYSA-N 2 1 391.968 3.883 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)[C@@H](C)C1 ZINC000624226091 863193797 /nfs/dbraw/zinc/19/37/97/863193797.db2.gz JQDJGBJHYJGFRV-QRFRQXIXSA-N 2 1 397.966 3.784 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000733848703 863202311 /nfs/dbraw/zinc/20/23/11/863202311.db2.gz QJXOZFVLXNKSNX-LEWJYISDSA-N 2 1 380.621 3.795 20 0 GHADMP c1[nH+]c(C2CC[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)CC2)n2c1CCCC2 ZINC000668084673 863357102 /nfs/dbraw/zinc/35/71/02/863357102.db2.gz SBMDXDQOLYJGSG-QFIPXVFZSA-N 2 1 381.520 3.767 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000183152382 863489020 /nfs/dbraw/zinc/48/90/20/863489020.db2.gz BXQVDVFNSDAWDD-JKSUJKDBSA-N 2 1 380.467 3.675 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2F)cc1 ZINC000183151417 863489082 /nfs/dbraw/zinc/48/90/82/863489082.db2.gz SRQPAUKPQPVJGL-JKSUJKDBSA-N 2 1 380.467 3.675 20 0 GHADMP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000062528527 863536898 /nfs/dbraw/zinc/53/68/98/863536898.db2.gz CLXLDFZXGLXOKU-RTBURBONSA-N 2 1 378.605 3.593 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540340 863671835 /nfs/dbraw/zinc/67/18/35/863671835.db2.gz JAIUXEFWFCYCIY-CVEARBPZSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540340 863671838 /nfs/dbraw/zinc/67/18/38/863671838.db2.gz JAIUXEFWFCYCIY-CVEARBPZSA-N 2 1 387.351 3.683 20 0 GHADMP Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)ccc1OCC[NH+]1CCCC1 ZINC000522903684 863690169 /nfs/dbraw/zinc/69/01/69/863690169.db2.gz BBFGRYBXRXHXRR-JOCHJYFZSA-N 2 1 381.520 3.711 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606637866 863762339 /nfs/dbraw/zinc/76/23/39/863762339.db2.gz ILNTYGOXQNEKOQ-FQEVSTJZSA-N 2 1 392.613 3.791 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)cc2)C1 ZINC000522986014 863861738 /nfs/dbraw/zinc/86/17/38/863861738.db2.gz ZHTBOAGUALYWRG-SIKLNZKXSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2)C1 ZINC000522986014 863861757 /nfs/dbraw/zinc/86/17/57/863861757.db2.gz ZHTBOAGUALYWRG-SIKLNZKXSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)cc2)C1 ZINC000522986014 863861774 /nfs/dbraw/zinc/86/17/74/863861774.db2.gz ZHTBOAGUALYWRG-SIKLNZKXSA-N 2 1 398.595 3.735 20 0 GHADMP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606901457 863925489 /nfs/dbraw/zinc/92/54/89/863925489.db2.gz QGRBPQODJLUBPD-SFTDATJTSA-N 2 1 396.531 3.636 20 0 GHADMP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606901457 863925503 /nfs/dbraw/zinc/92/55/03/863925503.db2.gz QGRBPQODJLUBPD-SFTDATJTSA-N 2 1 396.531 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)[C@H](C)C1 ZINC000480060636 863929833 /nfs/dbraw/zinc/92/98/33/863929833.db2.gz ATCOKABKFXQAFT-QMMLZNLJSA-N 2 1 381.992 3.669 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC000667611278 863966591 /nfs/dbraw/zinc/96/65/91/863966591.db2.gz IZFQOARHEPQCEU-DOTOQJQBSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC000667611278 863966597 /nfs/dbraw/zinc/96/65/97/863966597.db2.gz IZFQOARHEPQCEU-DOTOQJQBSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC000667611278 863966603 /nfs/dbraw/zinc/96/66/03/863966603.db2.gz IZFQOARHEPQCEU-DOTOQJQBSA-N 2 1 399.564 3.639 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000172809438 864008840 /nfs/dbraw/zinc/00/88/40/864008840.db2.gz LOSXGCGTQOFFBD-UXHICEINSA-N 2 1 379.589 3.687 20 0 GHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000607054232 864017216 /nfs/dbraw/zinc/01/72/16/864017216.db2.gz HCFDWFCVZCPSSH-GCJKJVERSA-N 2 1 387.568 3.793 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000607166561 864128762 /nfs/dbraw/zinc/12/87/62/864128762.db2.gz JSLYEUFRRPDYHH-KKUMJFAQSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000607166561 864128774 /nfs/dbraw/zinc/12/87/74/864128774.db2.gz JSLYEUFRRPDYHH-KKUMJFAQSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000607166561 864128787 /nfs/dbraw/zinc/12/87/87/864128787.db2.gz JSLYEUFRRPDYHH-KKUMJFAQSA-N 2 1 375.340 3.538 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000607283685 864241662 /nfs/dbraw/zinc/24/16/62/864241662.db2.gz DFCYVOPODOTTMQ-XJUOHMSHSA-N 2 1 385.596 3.915 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000607283685 864241673 /nfs/dbraw/zinc/24/16/73/864241673.db2.gz DFCYVOPODOTTMQ-XJUOHMSHSA-N 2 1 385.596 3.915 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000607283685 864241690 /nfs/dbraw/zinc/24/16/90/864241690.db2.gz DFCYVOPODOTTMQ-XJUOHMSHSA-N 2 1 385.596 3.915 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000607284471 864243376 /nfs/dbraw/zinc/24/33/76/864243376.db2.gz JBFBHPBSSKOVLE-SFTDATJTSA-N 2 1 383.536 3.833 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000621751518 864398349 /nfs/dbraw/zinc/39/83/49/864398349.db2.gz IGJFNTRQOGWJJO-GMAHTHKFSA-N 2 1 377.532 3.639 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)[nH+]c1 ZINC000163477020 864522367 /nfs/dbraw/zinc/52/23/67/864522367.db2.gz GTSQXRKIKSVVSP-IBGZPJMESA-N 3 1 382.552 3.650 20 0 GHADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)O[C@H](C)C2 ZINC000554558746 864549030 /nfs/dbraw/zinc/54/90/30/864549030.db2.gz SYQSKRHKJPLOSQ-SJORKVTESA-N 2 1 381.520 3.931 20 0 GHADMP COc1cc(Br)ccc1C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000494479010 881777110 /nfs/dbraw/zinc/77/71/10/881777110.db2.gz UFVSVASXNJKVSD-UHFFFAOYSA-N 2 1 387.281 3.637 20 0 GHADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000164452985 864614344 /nfs/dbraw/zinc/61/43/44/864614344.db2.gz FWECZAXDJQFTJF-GOSISDBHSA-N 2 1 395.613 3.632 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000166789701 864753291 /nfs/dbraw/zinc/75/32/91/864753291.db2.gz KWCJZLGZJDKMBV-KNQAVFIVSA-N 2 1 380.536 3.820 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182642107 864894704 /nfs/dbraw/zinc/89/47/04/864894704.db2.gz BMUUTCXHUFZSOH-WPYKKVEZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182642107 864894717 /nfs/dbraw/zinc/89/47/17/864894717.db2.gz BMUUTCXHUFZSOH-WPYKKVEZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182642107 864894722 /nfs/dbraw/zinc/89/47/22/864894722.db2.gz BMUUTCXHUFZSOH-WPYKKVEZSA-N 2 1 398.595 3.603 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000622344914 864944464 /nfs/dbraw/zinc/94/44/64/864944464.db2.gz KHSHHTKKNQMRBZ-DEOSSOPVSA-N 2 1 397.607 3.951 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000622344914 864944472 /nfs/dbraw/zinc/94/44/72/864944472.db2.gz KHSHHTKKNQMRBZ-DEOSSOPVSA-N 2 1 397.607 3.951 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000622344914 864944480 /nfs/dbraw/zinc/94/44/80/864944480.db2.gz KHSHHTKKNQMRBZ-DEOSSOPVSA-N 2 1 397.607 3.951 20 0 GHADMP COc1ccccc1N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000608055091 864980397 /nfs/dbraw/zinc/98/03/97/864980397.db2.gz GCETUKJTZANCAX-UHFFFAOYSA-N 2 1 379.548 3.918 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851242 865041468 /nfs/dbraw/zinc/04/14/68/865041468.db2.gz FBDIIQYCGVVHKR-QGZVFWFLSA-N 2 1 389.540 3.978 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851242 865041474 /nfs/dbraw/zinc/04/14/74/865041474.db2.gz FBDIIQYCGVVHKR-QGZVFWFLSA-N 2 1 389.540 3.978 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851242 865041481 /nfs/dbraw/zinc/04/14/81/865041481.db2.gz FBDIIQYCGVVHKR-QGZVFWFLSA-N 2 1 389.540 3.978 20 0 GHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000178526159 865054062 /nfs/dbraw/zinc/05/40/62/865054062.db2.gz NPESTOMTTFLWCH-UHFFFAOYSA-N 2 1 379.426 3.802 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1 ZINC000301072734 865136536 /nfs/dbraw/zinc/13/65/36/865136536.db2.gz ICIAGUSPHGWPPE-UHFFFAOYSA-N 2 1 377.488 3.883 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000171209187 865177600 /nfs/dbraw/zinc/17/76/00/865177600.db2.gz KJOAYQKDBSYKKD-IBGZPJMESA-N 2 1 397.567 3.703 20 0 GHADMP C[C@H]1CC(N2CC([NH+]3CCC(F)(F)CC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065817 865298358 /nfs/dbraw/zinc/29/83/58/865298358.db2.gz YHOLGMAYELXWGK-ROUUACIJSA-N 2 1 377.523 3.843 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000608685440 865554335 /nfs/dbraw/zinc/55/43/35/865554335.db2.gz SCHLSDWQHPDJQY-RBBKRZOGSA-N 2 1 386.584 3.587 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189521933 881896469 /nfs/dbraw/zinc/89/64/69/881896469.db2.gz HVZPGLQQJMDVFS-WBVHZDCISA-N 2 1 376.438 3.888 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189521933 881896480 /nfs/dbraw/zinc/89/64/80/881896480.db2.gz HVZPGLQQJMDVFS-WBVHZDCISA-N 2 1 376.438 3.888 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521933 881896485 /nfs/dbraw/zinc/89/64/85/881896485.db2.gz HVZPGLQQJMDVFS-WBVHZDCISA-N 2 1 376.438 3.888 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521933 881896494 /nfs/dbraw/zinc/89/64/94/881896494.db2.gz HVZPGLQQJMDVFS-WBVHZDCISA-N 2 1 376.438 3.888 20 0 GHADMP COCCN1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000555225777 865742681 /nfs/dbraw/zinc/74/26/81/865742681.db2.gz LUNKGXVGTOROGI-UJSBRMLGSA-N 2 1 391.987 3.564 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000481163144 865899035 /nfs/dbraw/zinc/89/90/35/865899035.db2.gz DTDUIIBLFNYRLH-MDNUFGMLSA-N 2 1 382.548 3.543 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)C2)CC1 ZINC000533987345 865924395 /nfs/dbraw/zinc/92/43/95/865924395.db2.gz YJTAJOXKKBWPJH-ACIOBRDBSA-N 2 1 398.595 3.585 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481199198 866022775 /nfs/dbraw/zinc/02/27/75/866022775.db2.gz PDNTWFBGCFXRDY-XUZZJYLKSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481199198 866022792 /nfs/dbraw/zinc/02/27/92/866022792.db2.gz PDNTWFBGCFXRDY-XUZZJYLKSA-N 2 1 393.575 3.924 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCN(CCc4cccs4)CC3)c2)C1 ZINC000857024299 881941134 /nfs/dbraw/zinc/94/11/34/881941134.db2.gz NPBULUSTZWYWKX-NRFANRHFSA-N 2 1 397.588 3.558 20 0 GHADMP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](CCc4cccs4)CC3)c2)C1 ZINC000857024299 881941144 /nfs/dbraw/zinc/94/11/44/881941144.db2.gz NPBULUSTZWYWKX-NRFANRHFSA-N 2 1 397.588 3.558 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+](CCc4cccs4)CC3)c2)C1 ZINC000857024299 881941157 /nfs/dbraw/zinc/94/11/57/881941157.db2.gz NPBULUSTZWYWKX-NRFANRHFSA-N 2 1 397.588 3.558 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000478565504 866266368 /nfs/dbraw/zinc/26/63/68/866266368.db2.gz NJZRCNDYBSSBFP-UTHDKSHUSA-N 2 1 395.950 3.849 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000478565504 866266384 /nfs/dbraw/zinc/26/63/84/866266384.db2.gz NJZRCNDYBSSBFP-UTHDKSHUSA-N 2 1 395.950 3.849 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000478565504 866266402 /nfs/dbraw/zinc/26/64/02/866266402.db2.gz NJZRCNDYBSSBFP-UTHDKSHUSA-N 2 1 395.950 3.849 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)cc1 ZINC000534227859 866342440 /nfs/dbraw/zinc/34/24/40/866342440.db2.gz GIFVTJQMQHTLQW-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)cc1 ZINC000534227859 866342456 /nfs/dbraw/zinc/34/24/56/866342456.db2.gz GIFVTJQMQHTLQW-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153348084 866370647 /nfs/dbraw/zinc/37/06/47/866370647.db2.gz HYBDFBHSDBOVLK-NQIIRXRSSA-N 2 1 375.557 3.630 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153348084 866370658 /nfs/dbraw/zinc/37/06/58/866370658.db2.gz HYBDFBHSDBOVLK-NQIIRXRSSA-N 2 1 375.557 3.630 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCCO2 ZINC000153476590 866506246 /nfs/dbraw/zinc/50/62/46/866506246.db2.gz BSGJDJDWHIORKP-MOPGFXCFSA-N 2 1 396.531 3.919 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCCO2 ZINC000153476590 866506260 /nfs/dbraw/zinc/50/62/60/866506260.db2.gz BSGJDJDWHIORKP-MOPGFXCFSA-N 2 1 396.531 3.919 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000620192841 866528927 /nfs/dbraw/zinc/52/89/27/866528927.db2.gz VFKQZYCNQKDOHD-QFIPXVFZSA-N 2 1 383.580 3.525 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3c(cccc3C)[nH]2)CC1 ZINC000153638185 866998432 /nfs/dbraw/zinc/99/84/32/866998432.db2.gz MRASGODIDIZVPM-UHFFFAOYSA-N 2 1 377.536 3.693 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000153766097 867066947 /nfs/dbraw/zinc/06/69/47/867066947.db2.gz QVHPULXQDPXOML-SFHVURJKSA-N 2 1 389.565 3.754 20 0 GHADMP CCOc1ccc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)co2)cc1 ZINC000154197154 867292033 /nfs/dbraw/zinc/29/20/33/867292033.db2.gz NRBPBWWKVYQOJD-UHFFFAOYSA-N 2 1 399.535 3.817 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479194847 867309843 /nfs/dbraw/zinc/30/98/43/867309843.db2.gz YLMOUOHFBVEDSL-VGSWGCGISA-N 2 1 383.511 3.559 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000154862483 867634859 /nfs/dbraw/zinc/63/48/59/867634859.db2.gz CLPMUNFACBIBOV-OAHLLOKOSA-N 2 1 379.346 3.664 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000857200786 882111376 /nfs/dbraw/zinc/11/13/76/882111376.db2.gz MMZWPCXWVQRKFC-PMACEKPBSA-N 2 1 391.559 3.775 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000155176166 867787755 /nfs/dbraw/zinc/78/77/55/867787755.db2.gz NKIKVTDBCNRLGB-LBPRGKRZSA-N 2 1 388.393 3.887 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000429541756 882134259 /nfs/dbraw/zinc/13/42/59/882134259.db2.gz PMHVLNYHFXNTCA-CCDWMCETSA-N 2 1 396.575 3.878 20 0 GHADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857247831 882141046 /nfs/dbraw/zinc/14/10/46/882141046.db2.gz GBDKTPIRPVSUPD-FYYLOGMGSA-N 2 1 395.547 3.537 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000523812658 868033229 /nfs/dbraw/zinc/03/32/29/868033229.db2.gz UJUCHRQQPMCJJQ-XLIONFOSSA-N 2 1 392.975 3.506 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2Br)s1 ZINC000546574205 868086413 /nfs/dbraw/zinc/08/64/13/868086413.db2.gz GKPOYIBAJLJBSC-UGSOOPFHSA-N 2 1 395.366 3.895 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccccc2Br)s1 ZINC000546574205 868086424 /nfs/dbraw/zinc/08/64/24/868086424.db2.gz GKPOYIBAJLJBSC-UGSOOPFHSA-N 2 1 395.366 3.895 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000445268157 868088929 /nfs/dbraw/zinc/08/89/29/868088929.db2.gz YWWGAWASWQVIAK-LJQANCHMSA-N 2 1 383.580 3.503 20 0 GHADMP CC1(C)Cc2occc2[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000156910089 868498979 /nfs/dbraw/zinc/49/89/79/868498979.db2.gz CZBYNVIASYKFRW-PZJWPPBQSA-N 2 1 395.547 3.780 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCSCC5)C4)[C@H]3C2)cc1 ZINC000272611434 868510233 /nfs/dbraw/zinc/51/02/33/868510233.db2.gz WIRPPEWGGVDVLH-CMOCDZPBSA-N 2 1 386.605 3.931 20 0 GHADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000156968270 868515920 /nfs/dbraw/zinc/51/59/20/868515920.db2.gz BGHSVQBIXKXFQL-LPHOPBHVSA-N 2 1 385.577 3.859 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)[C@@H]1c1cccs1 ZINC000457611601 868538567 /nfs/dbraw/zinc/53/85/67/868538567.db2.gz VCPHUZZQCPDQQI-OXJNMPFZSA-N 2 1 375.582 3.512 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000524139878 868587004 /nfs/dbraw/zinc/58/70/04/868587004.db2.gz DLYZZDXDDIXCGG-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000524139878 868587012 /nfs/dbraw/zinc/58/70/12/868587012.db2.gz DLYZZDXDDIXCGG-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000524139878 868587020 /nfs/dbraw/zinc/58/70/20/868587020.db2.gz DLYZZDXDDIXCGG-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000524156215 868627080 /nfs/dbraw/zinc/62/70/80/868627080.db2.gz VCATWOLQRBUDHI-HNNXBMFYSA-N 2 1 383.483 3.667 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000667569757 868682078 /nfs/dbraw/zinc/68/20/78/868682078.db2.gz RVASXSFOJCAYJP-LMMKCTJWSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000667569757 868682081 /nfs/dbraw/zinc/68/20/81/868682081.db2.gz RVASXSFOJCAYJP-LMMKCTJWSA-N 2 1 394.563 3.633 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000524857460 869655507 /nfs/dbraw/zinc/65/55/07/869655507.db2.gz QMPORZQEXXZUMM-HNNXBMFYSA-N 2 1 387.355 3.873 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000745699930 869745700 /nfs/dbraw/zinc/74/57/00/869745700.db2.gz SREOPNKOJXRLPJ-LJQANCHMSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000745699930 869745708 /nfs/dbraw/zinc/74/57/08/869745708.db2.gz SREOPNKOJXRLPJ-LJQANCHMSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000539861851 869913889 /nfs/dbraw/zinc/91/38/89/869913889.db2.gz FPCVFYAYVQKFTM-RTBURBONSA-N 2 1 382.552 3.788 20 0 GHADMP CC[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000446564919 870042031 /nfs/dbraw/zinc/04/20/31/870042031.db2.gz MNXKLINOOMAHCX-QFIPXVFZSA-N 2 1 394.563 3.749 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446583684 870058386 /nfs/dbraw/zinc/05/83/86/870058386.db2.gz DUZLTFWBUTZHNF-PMACEKPBSA-N 2 1 394.563 3.917 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cnn1C(C)C ZINC000191164632 882372065 /nfs/dbraw/zinc/37/20/65/882372065.db2.gz DDUKJAYGLHQISX-AUSIDOKSSA-N 2 1 383.584 3.802 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC001192326922 870292145 /nfs/dbraw/zinc/29/21/45/870292145.db2.gz YEKRNPMRNNSDQZ-UHFFFAOYSA-N 2 1 377.573 3.760 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC001192326922 870292167 /nfs/dbraw/zinc/29/21/67/870292167.db2.gz YEKRNPMRNNSDQZ-UHFFFAOYSA-N 2 1 377.573 3.760 20 0 GHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000446751067 870293917 /nfs/dbraw/zinc/29/39/17/870293917.db2.gz BCIYYIBYPXQARH-XMMPIXPASA-N 2 1 389.547 3.972 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000248397486 870369625 /nfs/dbraw/zinc/36/96/25/870369625.db2.gz LTMVEAJUALDNIS-RQXXJAGISA-N 2 1 385.577 3.672 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000248397486 870369713 /nfs/dbraw/zinc/36/97/13/870369713.db2.gz LTMVEAJUALDNIS-RQXXJAGISA-N 2 1 385.577 3.672 20 0 GHADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248407338 870384657 /nfs/dbraw/zinc/38/46/57/870384657.db2.gz UIKQBMWXFJUJDQ-QPTUXGOLSA-N 2 1 380.580 3.860 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000538732444 870465498 /nfs/dbraw/zinc/46/54/98/870465498.db2.gz NBCOQRQRPBQHRB-UHFFFAOYSA-N 2 1 375.738 3.645 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000462958907 870543921 /nfs/dbraw/zinc/54/39/21/870543921.db2.gz RMUTTYHTWSGDPH-RLLQIKCJSA-N 2 1 381.495 3.574 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000462958907 870543933 /nfs/dbraw/zinc/54/39/33/870543933.db2.gz RMUTTYHTWSGDPH-RLLQIKCJSA-N 2 1 381.495 3.574 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCc2ccccc2)c1 ZINC000538798111 870628897 /nfs/dbraw/zinc/62/88/97/870628897.db2.gz OAKSCAODPXXBLG-YFNKSVMNSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCc2ccccc2)c1 ZINC000538798111 870628905 /nfs/dbraw/zinc/62/89/05/870628905.db2.gz OAKSCAODPXXBLG-YFNKSVMNSA-N 2 1 380.532 3.949 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248785646 870633124 /nfs/dbraw/zinc/63/31/24/870633124.db2.gz WDSNFNRLWUCYST-RPWUZVMVSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248785646 870633135 /nfs/dbraw/zinc/63/31/35/870633135.db2.gz WDSNFNRLWUCYST-RPWUZVMVSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000248785646 870633141 /nfs/dbraw/zinc/63/31/41/870633141.db2.gz WDSNFNRLWUCYST-RPWUZVMVSA-N 2 1 391.559 3.537 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174126524 882428138 /nfs/dbraw/zinc/42/81/38/882428138.db2.gz IXCQAFRHUNLCGV-XXBNENTESA-N 2 1 379.548 3.873 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000122126683 882429224 /nfs/dbraw/zinc/42/92/24/882429224.db2.gz SYFVNLKZCSTDCM-UHFFFAOYSA-N 2 1 389.584 3.621 20 0 GHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000540171163 870655994 /nfs/dbraw/zinc/65/59/94/870655994.db2.gz TTYMGFZAIFKIFA-KURKYZTESA-N 2 1 395.975 3.845 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000540182804 870698549 /nfs/dbraw/zinc/69/85/49/870698549.db2.gz TYAFPGRZUVMBRC-LPHOPBHVSA-N 2 1 397.485 3.573 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540182804 870698552 /nfs/dbraw/zinc/69/85/52/870698552.db2.gz TYAFPGRZUVMBRC-LPHOPBHVSA-N 2 1 397.485 3.573 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000463053579 870751998 /nfs/dbraw/zinc/75/19/98/870751998.db2.gz AYJCTLBBLHRBKK-SQJMNOBHSA-N 2 1 377.576 3.804 20 0 GHADMP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000249123907 870765664 /nfs/dbraw/zinc/76/56/64/870765664.db2.gz ZREJFSGAJKCIMA-IRLDBZIGSA-N 2 1 396.535 3.502 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000538869021 870792358 /nfs/dbraw/zinc/79/23/58/870792358.db2.gz VBYACIVOFKEWPU-PLMTUMEDSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000538869021 870792367 /nfs/dbraw/zinc/79/23/67/870792367.db2.gz VBYACIVOFKEWPU-PLMTUMEDSA-N 2 1 399.485 3.570 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000766468930 870798217 /nfs/dbraw/zinc/79/82/17/870798217.db2.gz KYGNULLDMWNWMJ-XMSQKQJNSA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000766468930 870798226 /nfs/dbraw/zinc/79/82/26/870798226.db2.gz KYGNULLDMWNWMJ-XMSQKQJNSA-N 2 1 384.520 3.678 20 0 GHADMP COC(=O)C1(C)CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001168797811 870841613 /nfs/dbraw/zinc/84/16/13/870841613.db2.gz YJWLGHWFAQDNHN-NJRHGXBZSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001168797811 870841624 /nfs/dbraw/zinc/84/16/24/870841624.db2.gz YJWLGHWFAQDNHN-NJRHGXBZSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001168797811 870841632 /nfs/dbraw/zinc/84/16/32/870841632.db2.gz YJWLGHWFAQDNHN-NJRHGXBZSA-N 2 1 384.564 3.952 20 0 GHADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249580551 870867721 /nfs/dbraw/zinc/86/77/21/870867721.db2.gz NGPKWSPVGVWVBY-YLJYHZDGSA-N 2 1 397.588 3.957 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168840092 870899044 /nfs/dbraw/zinc/89/90/44/870899044.db2.gz QTGLSLRQBCXHCI-FRYIKTPZSA-N 2 1 388.556 3.551 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CCN(Cc3cncc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000463111525 870905173 /nfs/dbraw/zinc/90/51/73/870905173.db2.gz YOOOLTYVNLXWJL-IYBDPMFKSA-N 2 1 385.474 3.812 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000463111525 870905181 /nfs/dbraw/zinc/90/51/81/870905181.db2.gz YOOOLTYVNLXWJL-IYBDPMFKSA-N 2 1 385.474 3.812 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000463111525 870905189 /nfs/dbraw/zinc/90/51/89/870905189.db2.gz YOOOLTYVNLXWJL-IYBDPMFKSA-N 2 1 385.474 3.812 20 0 GHADMP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944363 870949525 /nfs/dbraw/zinc/94/95/25/870949525.db2.gz PBVOSVGYHNZTON-IBGZPJMESA-N 2 1 386.584 3.705 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000174452648 882470932 /nfs/dbraw/zinc/47/09/32/882470932.db2.gz UWLBOOHZUUFVGE-UHFFFAOYSA-N 2 1 387.487 3.987 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCNc3ccc4ccccc4n3)CC2)cc1 ZINC000463205762 871135486 /nfs/dbraw/zinc/13/54/86/871135486.db2.gz NRNUWDZXUAVDAN-UHFFFAOYSA-N 2 1 392.522 3.504 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3cccc(C(F)(F)F)c3)CCOCC1)C2 ZINC001169117182 871207166 /nfs/dbraw/zinc/20/71/66/871207166.db2.gz XMENAPHMCLAWPJ-REPLKXPHSA-N 2 1 382.470 3.968 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccccc3Br)CCOCC1)C2 ZINC001169117840 871209130 /nfs/dbraw/zinc/20/91/30/871209130.db2.gz AJEMZPSKCRJOOL-NNZMDNLPSA-N 2 1 393.369 3.756 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120227 871210711 /nfs/dbraw/zinc/21/07/11/871210711.db2.gz ZUGIAVBGXNQNEO-JTOYRKQZSA-N 2 1 380.532 3.688 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1 ZINC000539045721 871218024 /nfs/dbraw/zinc/21/80/24/871218024.db2.gz FLJGSVCRBZJKNS-FDDCHVKYSA-N 2 1 383.536 3.616 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1 ZINC000539045721 871218044 /nfs/dbraw/zinc/21/80/44/871218044.db2.gz FLJGSVCRBZJKNS-FDDCHVKYSA-N 2 1 383.536 3.616 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169152609 871265326 /nfs/dbraw/zinc/26/53/26/871265326.db2.gz BYLPDNPARMYEGK-PMOLBWCYSA-N 2 1 377.573 3.866 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169152609 871265339 /nfs/dbraw/zinc/26/53/39/871265339.db2.gz BYLPDNPARMYEGK-PMOLBWCYSA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169152609 871265359 /nfs/dbraw/zinc/26/53/59/871265359.db2.gz BYLPDNPARMYEGK-PMOLBWCYSA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169152609 871265373 /nfs/dbraw/zinc/26/53/73/871265373.db2.gz BYLPDNPARMYEGK-PMOLBWCYSA-N 2 1 377.573 3.866 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000252696340 871350000 /nfs/dbraw/zinc/35/00/00/871350000.db2.gz ZIFHDURSLOVSJP-DOTOQJQBSA-N 2 1 399.398 3.813 20 0 GHADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000447316312 871363756 /nfs/dbraw/zinc/36/37/56/871363756.db2.gz XNXAISHYEWRWKU-ROUUACIJSA-N 2 1 380.960 3.739 20 0 GHADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000539200095 871487840 /nfs/dbraw/zinc/48/78/40/871487840.db2.gz ASGXCFVPZFJMGA-MAUKXSAKSA-N 2 1 386.367 3.868 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)c1ccccc1 ZINC001169496371 871553023 /nfs/dbraw/zinc/55/30/23/871553023.db2.gz JGJYFHWIWQNHPA-ZKMPZPQNSA-N 2 1 391.559 3.660 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)c1ccccc1 ZINC001169496371 871553024 /nfs/dbraw/zinc/55/30/24/871553024.db2.gz JGJYFHWIWQNHPA-ZKMPZPQNSA-N 2 1 391.559 3.660 20 0 GHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000462116749 871645374 /nfs/dbraw/zinc/64/53/74/871645374.db2.gz QDLDFQPIIQSZHK-ZEQRLZLVSA-N 2 1 393.575 3.803 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001169647281 871711986 /nfs/dbraw/zinc/71/19/86/871711986.db2.gz ZKORCGRIGPMVQG-KJJMTIBFSA-N 2 1 385.552 3.783 20 0 GHADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000857782843 882540814 /nfs/dbraw/zinc/54/08/14/882540814.db2.gz GGFQTKRHHRTOMA-UHFFFAOYSA-N 2 1 378.307 3.612 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC001194615688 871861227 /nfs/dbraw/zinc/86/12/27/871861227.db2.gz JHTHHTNRUUZZLA-YADHBBJMSA-N 2 1 388.502 3.852 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC001194615688 871861244 /nfs/dbraw/zinc/86/12/44/871861244.db2.gz JHTHHTNRUUZZLA-YADHBBJMSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC001194615688 871861261 /nfs/dbraw/zinc/86/12/61/871861261.db2.gz JHTHHTNRUUZZLA-YADHBBJMSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC001194615688 871861277 /nfs/dbraw/zinc/86/12/77/871861277.db2.gz JHTHHTNRUUZZLA-YADHBBJMSA-N 2 1 388.502 3.852 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCC[C@H]21 ZINC000552046263 871931349 /nfs/dbraw/zinc/93/13/49/871931349.db2.gz BGXLDXOYJNECMI-XPWALMASSA-N 2 1 387.531 3.897 20 0 GHADMP C[C@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[NH+]1CCCC1 ZINC000494594397 882564432 /nfs/dbraw/zinc/56/44/32/882564432.db2.gz IYBBOHMCZASICR-MRXNPFEDSA-N 2 1 380.458 3.772 20 0 GHADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552065677 871968949 /nfs/dbraw/zinc/96/89/49/871968949.db2.gz JXWIATDOMJTPOX-KCZVDYSFSA-N 2 1 384.568 3.704 20 0 GHADMP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552065677 871968966 /nfs/dbraw/zinc/96/89/66/871968966.db2.gz JXWIATDOMJTPOX-KCZVDYSFSA-N 2 1 384.568 3.704 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000775620169 872016413 /nfs/dbraw/zinc/01/64/13/872016413.db2.gz BPBOBOUDTSINEO-SFTDATJTSA-N 2 1 387.568 3.995 20 0 GHADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000093336955 872091539 /nfs/dbraw/zinc/09/15/39/872091539.db2.gz BMXTVFZOUQBOGA-LJQANCHMSA-N 2 1 384.520 3.666 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000093336955 872091563 /nfs/dbraw/zinc/09/15/63/872091563.db2.gz BMXTVFZOUQBOGA-LJQANCHMSA-N 2 1 384.520 3.666 20 0 GHADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000093336955 872091583 /nfs/dbraw/zinc/09/15/83/872091583.db2.gz BMXTVFZOUQBOGA-LJQANCHMSA-N 2 1 384.520 3.666 20 0 GHADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000093336955 872091607 /nfs/dbraw/zinc/09/16/07/872091607.db2.gz BMXTVFZOUQBOGA-LJQANCHMSA-N 2 1 384.520 3.666 20 0 GHADMP COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732489 872218836 /nfs/dbraw/zinc/21/88/36/872218836.db2.gz PMPJBMBJNSIBJD-UGKGYDQZSA-N 2 1 381.520 3.585 20 0 GHADMP COCC(=O)Nc1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000552240081 872289044 /nfs/dbraw/zinc/28/90/44/872289044.db2.gz SGZFCNPOXUXNPG-UHFFFAOYSA-N 2 1 395.547 3.804 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000093643714 872314894 /nfs/dbraw/zinc/31/48/94/872314894.db2.gz OFCYASHHDYDXPM-ZFWWWQNUSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000093643714 872314907 /nfs/dbraw/zinc/31/49/07/872314907.db2.gz OFCYASHHDYDXPM-ZFWWWQNUSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[NH+]1C ZINC000093643714 872314913 /nfs/dbraw/zinc/31/49/13/872314913.db2.gz OFCYASHHDYDXPM-ZFWWWQNUSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[NH+]1C ZINC000093643714 872314927 /nfs/dbraw/zinc/31/49/27/872314927.db2.gz OFCYASHHDYDXPM-ZFWWWQNUSA-N 2 1 383.330 3.525 20 0 GHADMP COCC[N@H+](Cc1ccc(C)o1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093707226 872353623 /nfs/dbraw/zinc/35/36/23/872353623.db2.gz WOAXMWPMICRBLT-UHFFFAOYSA-N 2 1 385.552 3.767 20 0 GHADMP COCC[N@@H+](Cc1ccc(C)o1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093707226 872353633 /nfs/dbraw/zinc/35/36/33/872353633.db2.gz WOAXMWPMICRBLT-UHFFFAOYSA-N 2 1 385.552 3.767 20 0 GHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)ccc1OC ZINC000857875437 882605443 /nfs/dbraw/zinc/60/54/43/882605443.db2.gz OJMHTJXXUUBJSE-UZUQRXQVSA-N 2 1 395.547 3.901 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000527066411 872549134 /nfs/dbraw/zinc/54/91/34/872549134.db2.gz NQBBUILPMZUJSZ-QPTUXGOLSA-N 2 1 394.563 3.607 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000619363362 872576967 /nfs/dbraw/zinc/57/69/67/872576967.db2.gz ZWXZHEYTJNGAJO-ZIFCJYIRSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CN2C[C@H](c3ccccc3F)CC2=O)CC1 ZINC000182686560 872676885 /nfs/dbraw/zinc/67/68/85/872676885.db2.gz OANRRYYHIUSTNB-LJQANCHMSA-N 2 1 375.532 3.543 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@H](c3ccccc3F)CC2=O)CC1 ZINC000182686560 872676895 /nfs/dbraw/zinc/67/68/95/872676895.db2.gz OANRRYYHIUSTNB-LJQANCHMSA-N 2 1 375.532 3.543 20 0 GHADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076145007 882639306 /nfs/dbraw/zinc/63/93/06/882639306.db2.gz RUHOKFXZUJXSBO-XLIONFOSSA-N 2 1 375.557 3.604 20 0 GHADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076145007 882639315 /nfs/dbraw/zinc/63/93/15/882639315.db2.gz RUHOKFXZUJXSBO-XLIONFOSSA-N 2 1 375.557 3.604 20 0 GHADMP COc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C2CC2)cc1Cl ZINC000667303754 872686329 /nfs/dbraw/zinc/68/63/29/872686329.db2.gz BEAJMGZMDLWBLB-AWEZNQCLSA-N 2 1 396.963 3.620 20 0 GHADMP COc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C2CC2)cc1Cl ZINC000667303754 872686346 /nfs/dbraw/zinc/68/63/46/872686346.db2.gz BEAJMGZMDLWBLB-AWEZNQCLSA-N 2 1 396.963 3.620 20 0 GHADMP CC(C)[NH+]1CCC(Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)CC1 ZINC000541090939 872900345 /nfs/dbraw/zinc/90/03/45/872900345.db2.gz XAXCVKKUSBKLJF-QGZVFWFLSA-N 2 1 390.547 3.923 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000448205441 873042429 /nfs/dbraw/zinc/04/24/29/873042429.db2.gz PTHMVGOXLPQUON-YMPZKCBVSA-N 2 1 398.595 3.728 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+]C3CC(C)(C)N(O)C(C)(C)C3)CC2)cc1 ZINC001169982086 873071299 /nfs/dbraw/zinc/07/12/99/873071299.db2.gz ISRMUIAPGYPACF-UHFFFAOYSA-N 2 1 389.584 3.703 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2/C=C\c2cccs2)CC1 ZINC000541205371 873132377 /nfs/dbraw/zinc/13/23/77/873132377.db2.gz ZCFYHUABMDIEJL-VJIACCKLSA-N 2 1 375.582 3.606 20 0 GHADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCCC1 ZINC000448464935 873422946 /nfs/dbraw/zinc/42/29/46/873422946.db2.gz IMGOORAPFYETAZ-HJNYFJLDSA-N 2 1 390.616 3.545 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000448466271 873424509 /nfs/dbraw/zinc/42/45/09/873424509.db2.gz LYZPIEKBVBWZRU-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000541339579 873425519 /nfs/dbraw/zinc/42/55/19/873425519.db2.gz REMBJYFQUKDNDL-OALUTQOASA-N 2 1 394.987 3.863 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccsc2Br)CC1 ZINC000527668385 873425995 /nfs/dbraw/zinc/42/59/95/873425995.db2.gz CDVDDAAROAGWJY-UHFFFAOYSA-N 2 1 395.366 3.757 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527672608 873434373 /nfs/dbraw/zinc/43/43/73/873434373.db2.gz BFUBVSQIDZOETP-MOPGFXCFSA-N 2 1 386.458 3.572 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccsc1Br ZINC000527690630 873458295 /nfs/dbraw/zinc/45/82/95/873458295.db2.gz ISJLHWPEZYLFQS-QGZVFWFLSA-N 2 1 395.366 3.757 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccsc1Br ZINC000527690630 873458301 /nfs/dbraw/zinc/45/83/01/873458301.db2.gz ISJLHWPEZYLFQS-QGZVFWFLSA-N 2 1 395.366 3.757 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccsc1Br ZINC000527690630 873458307 /nfs/dbraw/zinc/45/83/07/873458307.db2.gz ISJLHWPEZYLFQS-QGZVFWFLSA-N 2 1 395.366 3.757 20 0 GHADMP COc1ccc(CN2CC[C@@H]2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000527773105 873586472 /nfs/dbraw/zinc/58/64/72/873586472.db2.gz MKTKWHHPEDQVMW-XMMPIXPASA-N 2 1 393.575 3.566 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076428844 882749618 /nfs/dbraw/zinc/74/96/18/882749618.db2.gz JSQSLDRPEOHAKG-HSZRJFAPSA-N 2 1 377.532 3.736 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000541542365 873800590 /nfs/dbraw/zinc/80/05/90/873800590.db2.gz TUXRGSWDLKHBRJ-CNNODRBYSA-N 2 1 396.531 3.800 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000541542365 873800606 /nfs/dbraw/zinc/80/06/06/873800606.db2.gz TUXRGSWDLKHBRJ-CNNODRBYSA-N 2 1 396.531 3.800 20 0 GHADMP OC[C@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001197630864 873963689 /nfs/dbraw/zinc/96/36/89/873963689.db2.gz UQXXKKVEDSYBRG-FQEVSTJZSA-N 2 1 384.486 3.578 20 0 GHADMP OC[C@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001197630864 873963694 /nfs/dbraw/zinc/96/36/94/873963694.db2.gz UQXXKKVEDSYBRG-FQEVSTJZSA-N 2 1 384.486 3.578 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000449093773 874495635 /nfs/dbraw/zinc/49/56/35/874495635.db2.gz YHCGSUXMDWSPER-OAQYLSRUSA-N 2 1 395.591 3.812 20 0 GHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Br)cc2)CC1 ZINC000858090853 882835818 /nfs/dbraw/zinc/83/58/18/882835818.db2.gz MAAOJNIVADDOLG-UHFFFAOYSA-N 2 1 391.357 3.704 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001198808594 874644452 /nfs/dbraw/zinc/64/44/52/874644452.db2.gz BWUPXTBIGYCRPQ-SFHVURJKSA-N 2 1 390.572 3.760 20 0 GHADMP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449301783 874690700 /nfs/dbraw/zinc/69/07/00/874690700.db2.gz SPNSFHMKNYBLBL-YLJYHZDGSA-N 2 1 378.582 3.580 20 0 GHADMP COc1cc2ccccc2cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449326481 874709213 /nfs/dbraw/zinc/70/92/13/874709213.db2.gz WIQXKVRPYBYTFH-AIZNXBIQSA-N 2 1 379.548 3.591 20 0 GHADMP COc1cc2ccccc2cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449326481 874709219 /nfs/dbraw/zinc/70/92/19/874709219.db2.gz WIQXKVRPYBYTFH-AIZNXBIQSA-N 2 1 379.548 3.591 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c2cccs2)CC1 ZINC001198967877 874732480 /nfs/dbraw/zinc/73/24/80/874732480.db2.gz CVOUBTYORVGLNR-RTBURBONSA-N 2 1 377.598 3.508 20 0 GHADMP COCC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449346334 874738613 /nfs/dbraw/zinc/73/86/13/874738613.db2.gz ZGSYFEJSKKTHHL-OOMBGRCJSA-N 2 1 386.580 3.710 20 0 GHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001199027319 874787506 /nfs/dbraw/zinc/78/75/06/874787506.db2.gz APRAHUMOEJUHPD-UHFFFAOYSA-N 2 1 399.539 3.955 20 0 GHADMP COC(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC001199310105 874904865 /nfs/dbraw/zinc/90/48/65/874904865.db2.gz QQNGIKLKWPWAQL-HDICACEKSA-N 2 1 383.536 3.579 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494882 874928571 /nfs/dbraw/zinc/92/85/71/874928571.db2.gz HFVJFYFLEFDVQP-HXUWFJFHSA-N 2 1 383.536 3.507 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494882 874928578 /nfs/dbraw/zinc/92/85/78/874928578.db2.gz HFVJFYFLEFDVQP-HXUWFJFHSA-N 2 1 383.536 3.507 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494882 874928586 /nfs/dbraw/zinc/92/85/86/874928586.db2.gz HFVJFYFLEFDVQP-HXUWFJFHSA-N 2 1 383.536 3.507 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3c(C)oc4ccccc43)C2)CC1 ZINC000449494882 874928590 /nfs/dbraw/zinc/92/85/90/874928590.db2.gz HFVJFYFLEFDVQP-HXUWFJFHSA-N 2 1 383.536 3.507 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3OCC(F)F)c2)CCO1 ZINC001199668349 875113775 /nfs/dbraw/zinc/11/37/75/875113775.db2.gz YEYZQMIUQJQOCE-KRWDZBQOSA-N 2 1 390.474 3.841 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3OCC(F)F)c2)CCO1 ZINC001199668349 875113777 /nfs/dbraw/zinc/11/37/77/875113777.db2.gz YEYZQMIUQJQOCE-KRWDZBQOSA-N 2 1 390.474 3.841 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@@H](c4ccc(Cl)cc4)C3)cn2)CC1 ZINC000449729905 875294434 /nfs/dbraw/zinc/29/44/34/875294434.db2.gz CGNPMWPEJMWTOW-TZIWHRDSSA-N 2 1 399.970 3.698 20 0 GHADMP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000105443246 875297443 /nfs/dbraw/zinc/29/74/43/875297443.db2.gz FUBVGFJNRMWIGS-ZDUSSCGKSA-N 2 1 375.879 3.904 20 0 GHADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000263178999 882955055 /nfs/dbraw/zinc/95/50/55/882955055.db2.gz GNEFBHBOFHYDDW-JXFKEZNVSA-N 2 1 398.378 3.982 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001201955016 875953805 /nfs/dbraw/zinc/95/38/05/875953805.db2.gz YAQJTUHLFXMFQM-NRFANRHFSA-N 2 1 396.922 3.587 20 0 GHADMP CN(C(=O)c1ccc2cnccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000450228466 876092422 /nfs/dbraw/zinc/09/24/22/876092422.db2.gz UNLUPBWRZSHRAC-PKTZIBPZSA-N 2 1 394.563 3.644 20 0 GHADMP CSc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000450229734 876125277 /nfs/dbraw/zinc/12/52/77/876125277.db2.gz XSOBENGUKKRDPX-RTWAWAEBSA-N 2 1 389.609 3.818 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001202405032 876177861 /nfs/dbraw/zinc/17/78/61/876177861.db2.gz NPSMGDOFKHSGBQ-MRXNPFEDSA-N 2 1 377.401 3.957 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001202405032 876177865 /nfs/dbraw/zinc/17/78/65/876177865.db2.gz NPSMGDOFKHSGBQ-MRXNPFEDSA-N 2 1 377.401 3.957 20 0 GHADMP FC(F)(F)CCC[NH+]1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001202405032 876177876 /nfs/dbraw/zinc/17/78/76/876177876.db2.gz NPSMGDOFKHSGBQ-MRXNPFEDSA-N 2 1 377.401 3.957 20 0 GHADMP FC(F)(F)CCC[NH+]1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001202405032 876177882 /nfs/dbraw/zinc/17/78/82/876177882.db2.gz NPSMGDOFKHSGBQ-MRXNPFEDSA-N 2 1 377.401 3.957 20 0 GHADMP C[C@@H]1C[C@H](N(C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000529526900 876289463 /nfs/dbraw/zinc/28/94/63/876289463.db2.gz ANUPFQWVTWGPOG-DGCLKSJQSA-N 2 1 383.359 3.815 20 0 GHADMP C[C@@H]1C[C@H](N(C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000529526900 876289475 /nfs/dbraw/zinc/28/94/75/876289475.db2.gz ANUPFQWVTWGPOG-DGCLKSJQSA-N 2 1 383.359 3.815 20 0 GHADMP C[C@@H](c1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394540 876349912 /nfs/dbraw/zinc/34/99/12/876349912.db2.gz RTGYRJVDSBUZGM-PXNSSMCTSA-N 2 1 383.502 3.954 20 0 GHADMP C[C@@H](c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394540 876349926 /nfs/dbraw/zinc/34/99/26/876349926.db2.gz RTGYRJVDSBUZGM-PXNSSMCTSA-N 2 1 383.502 3.954 20 0 GHADMP C[C@@H](c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394540 876349944 /nfs/dbraw/zinc/34/99/44/876349944.db2.gz RTGYRJVDSBUZGM-PXNSSMCTSA-N 2 1 383.502 3.954 20 0 GHADMP CC[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000529799328 876681240 /nfs/dbraw/zinc/68/12/40/876681240.db2.gz CKCHRDVPXIRMJD-JOCHJYFZSA-N 2 1 385.596 3.710 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139368 883062431 /nfs/dbraw/zinc/06/24/31/883062431.db2.gz DWKOSKTWIAFNMT-DCROOPGVSA-N 3 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139368 883062444 /nfs/dbraw/zinc/06/24/44/883062444.db2.gz DWKOSKTWIAFNMT-DCROOPGVSA-N 3 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139368 883062461 /nfs/dbraw/zinc/06/24/61/883062461.db2.gz DWKOSKTWIAFNMT-DCROOPGVSA-N 3 1 399.623 3.909 20 0 GHADMP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(C)n1 ZINC000850397688 876878781 /nfs/dbraw/zinc/87/87/81/876878781.db2.gz HZEAVKHPBXCRRH-XUZZJYLKSA-N 2 1 380.580 3.736 20 0 GHADMP CCc1ccc2[nH+]ccc(N3CCC[C@H](C[N@H+]4CCCN(C(C)=O)CC4)C3)c2c1 ZINC000450775563 876910621 /nfs/dbraw/zinc/91/06/21/876910621.db2.gz PUAJCIDLXBQRQX-OAQYLSRUSA-N 2 1 394.563 3.568 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816430 876971720 /nfs/dbraw/zinc/97/17/20/876971720.db2.gz VOCGLFXACFNCLA-PZJWPPBQSA-N 2 1 392.547 3.779 20 0 GHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC1 ZINC000850576865 877047014 /nfs/dbraw/zinc/04/70/14/877047014.db2.gz QHGHSPFODGGBCH-AVRDEDQJSA-N 2 1 384.568 3.739 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(N4CCCNC4=O)cc3)CC2)C1 ZINC000850577149 877047535 /nfs/dbraw/zinc/04/75/35/877047535.db2.gz TXIHXSSOYWXTFJ-XMSQKQJNSA-N 2 1 384.568 3.739 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000174650693 877149231 /nfs/dbraw/zinc/14/92/31/877149231.db2.gz IVFKMOIACKZZBN-BGYRXZFFSA-N 2 1 385.596 3.901 20 0 GHADMP C(=C\c1ccccc1)\CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450980261 877179581 /nfs/dbraw/zinc/17/95/81/877179581.db2.gz DYGTZERSZDDIGR-DIWMZYGOSA-N 2 1 375.560 3.982 20 0 GHADMP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(Br)c1 ZINC000551547294 877409749 /nfs/dbraw/zinc/40/97/49/877409749.db2.gz JYGOLYFBSGZABG-UHFFFAOYSA-N 2 1 391.309 3.587 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1Cl ZINC000175539435 877758706 /nfs/dbraw/zinc/75/87/06/877758706.db2.gz VKFHMTGYPWTOMT-HXUWFJFHSA-N 2 1 392.975 3.649 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248608996 912275287 /nfs/dbraw/zinc/27/52/87/912275287.db2.gz XDPIBGYIKCKIDJ-QMTMVMCOSA-N 2 1 381.358 3.725 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)cc1 ZINC000642713501 912294554 /nfs/dbraw/zinc/29/45/54/912294554.db2.gz RLGCKJFRUWMODM-SFHVURJKSA-N 2 1 375.532 3.591 20 0 GHADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCc1c[nH+]cn1C ZINC000530513387 877984926 /nfs/dbraw/zinc/98/49/26/877984926.db2.gz SMNIRBSIXRZJFA-AWEZNQCLSA-N 2 1 388.309 3.935 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000245512903 878014062 /nfs/dbraw/zinc/01/40/62/878014062.db2.gz BEEYHZLLNDDGCD-XMMPIXPASA-N 2 1 397.538 3.930 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000245512903 878014076 /nfs/dbraw/zinc/01/40/76/878014076.db2.gz BEEYHZLLNDDGCD-XMMPIXPASA-N 2 1 397.538 3.930 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530552893 878046261 /nfs/dbraw/zinc/04/62/61/878046261.db2.gz SVRKSLNDRHBKFU-LJQANCHMSA-N 2 1 385.309 3.923 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527526 878093310 /nfs/dbraw/zinc/09/33/10/878093310.db2.gz JQCGPZCYCJWGLK-PGRDOPGGSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527526 878093319 /nfs/dbraw/zinc/09/33/19/878093319.db2.gz JQCGPZCYCJWGLK-PGRDOPGGSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527526 878093339 /nfs/dbraw/zinc/09/33/39/878093339.db2.gz JQCGPZCYCJWGLK-PGRDOPGGSA-N 2 1 389.971 3.594 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C/C=C\c2ccccc2)CC1)Cc1ccccc1 ZINC000530689895 878294091 /nfs/dbraw/zinc/29/40/91/878294091.db2.gz QAPQKQKSFIUTFO-JYRVWZFOSA-N 2 1 391.559 3.660 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)(C)C ZINC000176832922 878431197 /nfs/dbraw/zinc/43/11/97/878431197.db2.gz IPRMSRVOOSDYNW-WDSOQIARSA-N 2 1 394.629 3.797 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000537953421 878578554 /nfs/dbraw/zinc/57/85/54/878578554.db2.gz SPJRUDXYLACACV-LPHOPBHVSA-N 2 1 393.453 3.979 20 0 GHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](C)C1 ZINC000530821866 878591284 /nfs/dbraw/zinc/59/12/84/878591284.db2.gz WJHSEBDIMJHXGO-ZJSXRUAMSA-N 2 1 393.575 3.878 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](C)C1 ZINC000530821866 878591298 /nfs/dbraw/zinc/59/12/98/878591298.db2.gz WJHSEBDIMJHXGO-ZJSXRUAMSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000537960611 878593325 /nfs/dbraw/zinc/59/33/25/878593325.db2.gz BMSPQOPDVXLPSY-UGKGYDQZSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000537960611 878593337 /nfs/dbraw/zinc/59/33/37/878593337.db2.gz BMSPQOPDVXLPSY-UGKGYDQZSA-N 2 1 380.532 3.891 20 0 GHADMP Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000177222815 878607250 /nfs/dbraw/zinc/60/72/50/878607250.db2.gz RPELYOWYVNYNOR-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000537975193 878610281 /nfs/dbraw/zinc/61/02/81/878610281.db2.gz FLWXCZPXIWVNAN-GGAORHGYSA-N 2 1 385.596 3.522 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1)CC(C)C ZINC000537994684 878679089 /nfs/dbraw/zinc/67/90/89/878679089.db2.gz GGNZMSKBNKHZHH-UHFFFAOYSA-N 2 1 376.467 3.754 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1)CC(C)C ZINC000537994684 878679098 /nfs/dbraw/zinc/67/90/98/878679098.db2.gz GGNZMSKBNKHZHH-UHFFFAOYSA-N 2 1 376.467 3.754 20 0 GHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044575 878751956 /nfs/dbraw/zinc/75/19/56/878751956.db2.gz HAKZAPFZKPJNDN-KSZLIROESA-N 2 1 380.960 3.991 20 0 GHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044575 878751965 /nfs/dbraw/zinc/75/19/65/878751965.db2.gz HAKZAPFZKPJNDN-KSZLIROESA-N 2 1 380.960 3.991 20 0 GHADMP CC(C)(C)OC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853092936 878810175 /nfs/dbraw/zinc/81/01/75/878810175.db2.gz VYEGCGYSLURWBK-SYYJFZTOSA-N 2 1 379.589 3.782 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1c(F)cccc1F ZINC000853120255 878827649 /nfs/dbraw/zinc/82/76/49/878827649.db2.gz JBOBUOLLEPZCHP-WIYYLYMNSA-N 2 1 386.486 3.890 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000177849191 878885006 /nfs/dbraw/zinc/88/50/06/878885006.db2.gz AETYVICAOVOAEV-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000177849191 878885017 /nfs/dbraw/zinc/88/50/17/878885017.db2.gz AETYVICAOVOAEV-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000177849191 878885027 /nfs/dbraw/zinc/88/50/27/878885027.db2.gz AETYVICAOVOAEV-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000531016048 878954324 /nfs/dbraw/zinc/95/43/24/878954324.db2.gz HKMCCELBALRIKA-SFHVURJKSA-N 2 1 377.573 3.547 20 0 GHADMP COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000531016048 878954330 /nfs/dbraw/zinc/95/43/30/878954330.db2.gz HKMCCELBALRIKA-SFHVURJKSA-N 2 1 377.573 3.547 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246091523 878962603 /nfs/dbraw/zinc/96/26/03/878962603.db2.gz VFGLHSZFLFUZAY-GHTZIAJQSA-N 2 1 390.572 3.601 20 0 GHADMP OCCC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CC[C@H](CCCO)C3)c2)C1 ZINC000452119786 878967417 /nfs/dbraw/zinc/96/74/17/878967417.db2.gz LDMWASUQTNAHRM-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP OCCC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](CCCO)C3)c2)C1 ZINC000452119786 878967432 /nfs/dbraw/zinc/96/74/32/878967432.db2.gz LDMWASUQTNAHRM-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP OCCC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@H](CCCO)C3)c2)C1 ZINC000452119786 878967449 /nfs/dbraw/zinc/96/74/49/878967449.db2.gz LDMWASUQTNAHRM-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000531078041 879045236 /nfs/dbraw/zinc/04/52/36/879045236.db2.gz DQLIKBZHKZEOHK-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP Clc1cccc(-c2noc(CC[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000246538568 879664432 /nfs/dbraw/zinc/66/44/32/879664432.db2.gz JSTLOHCDTWKAQX-LPHOPBHVSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000246538568 879664444 /nfs/dbraw/zinc/66/44/44/879664444.db2.gz JSTLOHCDTWKAQX-LPHOPBHVSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000246538568 879664453 /nfs/dbraw/zinc/66/44/53/879664453.db2.gz JSTLOHCDTWKAQX-LPHOPBHVSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000246538568 879664460 /nfs/dbraw/zinc/66/44/60/879664460.db2.gz JSTLOHCDTWKAQX-LPHOPBHVSA-N 2 1 386.927 3.881 20 0 GHADMP Cc1cccc([C@H]2CCCC[N@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c1C ZINC000790365996 879669582 /nfs/dbraw/zinc/66/95/82/879669582.db2.gz JTHFIDCQAZXMNL-GGAORHGYSA-N 2 1 383.536 3.705 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC(OCc4ccccc4)C3)CC2)oc1C ZINC000493882168 879694657 /nfs/dbraw/zinc/69/46/57/879694657.db2.gz HSQGDNOYWJNVHW-UHFFFAOYSA-N 2 1 383.536 3.841 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493884624 879697172 /nfs/dbraw/zinc/69/71/72/879697172.db2.gz ZBZXFNADSBMJFZ-LJQANCHMSA-N 2 1 394.401 3.752 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000531381774 879745820 /nfs/dbraw/zinc/74/58/20/879745820.db2.gz HTYQSQHBJZOVNT-UKILVPOCSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000531381774 879745830 /nfs/dbraw/zinc/74/58/30/879745830.db2.gz HTYQSQHBJZOVNT-UKILVPOCSA-N 2 1 396.575 3.878 20 0 GHADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139793 879826938 /nfs/dbraw/zinc/82/69/38/879826938.db2.gz VZVJODSXSVXQCG-ZMUKGBGYSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001170139793 879826943 /nfs/dbraw/zinc/82/69/43/879826943.db2.gz VZVJODSXSVXQCG-ZMUKGBGYSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001170139793 879826958 /nfs/dbraw/zinc/82/69/58/879826958.db2.gz VZVJODSXSVXQCG-ZMUKGBGYSA-N 2 1 383.580 3.821 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000246928846 879852932 /nfs/dbraw/zinc/85/29/32/879852932.db2.gz HBADJWBVMWXRBP-FCEWJHQRSA-N 2 1 380.374 3.595 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1cccc2ccccc21 ZINC000246964493 879865953 /nfs/dbraw/zinc/86/59/53/879865953.db2.gz OJEIZWVTZTWHAD-DWXLDPMZSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1cccc2ccccc21 ZINC000246964493 879865969 /nfs/dbraw/zinc/86/59/69/879865969.db2.gz OJEIZWVTZTWHAD-DWXLDPMZSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc2ccccc21 ZINC000246964493 879865981 /nfs/dbraw/zinc/86/59/81/879865981.db2.gz OJEIZWVTZTWHAD-DWXLDPMZSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1cccc2ccccc21 ZINC000246964493 879865998 /nfs/dbraw/zinc/86/59/98/879865998.db2.gz OJEIZWVTZTWHAD-DWXLDPMZSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000247028105 879891652 /nfs/dbraw/zinc/89/16/52/879891652.db2.gz NFSGTPUIBIWEIN-HSALFYBXSA-N 2 1 386.584 3.632 20 0 GHADMP CCC(CC)(CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000247237113 879950080 /nfs/dbraw/zinc/95/00/80/879950080.db2.gz OJAPLMSTLNIGBE-WOJBJXKFSA-N 2 1 388.600 3.879 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000182862039 880031777 /nfs/dbraw/zinc/03/17/77/880031777.db2.gz JWYIZLRCAILTPF-DHIUTWEWSA-N 2 1 398.595 3.688 20 0 GHADMP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000247940604 880091174 /nfs/dbraw/zinc/09/11/74/880091174.db2.gz CZBYNVIASYKFRW-CTNGQTDRSA-N 2 1 395.547 3.780 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000531676896 880308002 /nfs/dbraw/zinc/30/80/02/880308002.db2.gz MKVSKNBCVMOSTI-MAUKXSAKSA-N 2 1 386.590 3.997 20 0 GHADMP Cc1cccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1C ZINC000184750821 880373772 /nfs/dbraw/zinc/37/37/72/880373772.db2.gz UFXZGYUEKVZYCK-RTBURBONSA-N 2 1 379.548 3.988 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)c(I)c1 ZINC000453066953 880388552 /nfs/dbraw/zinc/38/85/52/880388552.db2.gz IUZZQAADIGJNLD-LLVKDONJSA-N 2 1 388.268 3.708 20 0 GHADMP c1ncn(-c2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)c2)n1 ZINC000453114252 880484522 /nfs/dbraw/zinc/48/45/22/880484522.db2.gz SWJGAQALVQYYCF-TZRRMPRUSA-N 2 1 387.531 3.800 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(c4ccccn4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453172311 880575445 /nfs/dbraw/zinc/57/54/45/880575445.db2.gz MUQVVKHSIZGFMQ-LDVJMBRRSA-N 2 1 376.548 3.693 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197631 880603110 /nfs/dbraw/zinc/60/31/10/880603110.db2.gz NZPCFBIROWEZIO-PGRDOPGGSA-N 2 1 390.531 3.505 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC000453255733 880689672 /nfs/dbraw/zinc/68/96/72/880689672.db2.gz LZVMIEGTQNKIEW-PXNSSMCTSA-N 2 1 381.586 3.609 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453411677 880876435 /nfs/dbraw/zinc/87/64/35/880876435.db2.gz VYFCXSWWSWBJBQ-QGZVFWFLSA-N 2 1 378.582 3.928 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000856169274 881005114 /nfs/dbraw/zinc/00/51/14/881005114.db2.gz GVJMOCXCOJUHIK-JOCHJYFZSA-N 2 1 383.580 3.671 20 0 GHADMP O=C(NCC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183573776 912653843 /nfs/dbraw/zinc/65/38/43/912653843.db2.gz GREWKZVOSHCZNF-JOCHJYFZSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CCO1 ZINC001170214472 881217840 /nfs/dbraw/zinc/21/78/40/881217840.db2.gz PIOZGHFJKKBAAZ-GUDVDZBRSA-N 2 1 378.582 3.761 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC000556983948 881291493 /nfs/dbraw/zinc/29/14/93/881291493.db2.gz QXTJDZWKLUXKDL-ICSRJNTNSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1cccc(OCC[NH+](C)C)c1 ZINC000181338405 883140105 /nfs/dbraw/zinc/14/01/05/883140105.db2.gz WJKXJDHNVCRITO-MSOLQXFVSA-N 2 1 379.508 3.620 20 0 GHADMP COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000123201693 883200263 /nfs/dbraw/zinc/20/02/63/883200263.db2.gz UHKMHQAGALRPGU-GOSISDBHSA-N 2 1 377.573 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000476967672 883491364 /nfs/dbraw/zinc/49/13/64/883491364.db2.gz BKGHUMRMOZRWOI-HXUWFJFHSA-N 2 1 383.580 3.548 20 0 GHADMP C(CC[NH+]1CCC[C@@]2(CCCOC2)C1)CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053449 883617476 /nfs/dbraw/zinc/61/74/76/883617476.db2.gz BAKMLLFQGAVTDN-DHIUTWEWSA-N 2 1 378.601 3.942 20 0 GHADMP C[C@@H](OC[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000859214090 883667038 /nfs/dbraw/zinc/66/70/38/883667038.db2.gz LRYDRLDLCJNJBX-VGOFRKELSA-N 2 1 390.955 3.972 20 0 GHADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215959 883670842 /nfs/dbraw/zinc/67/08/42/883670842.db2.gz VGOGHHVBPUWCAF-UHFFFAOYSA-N 2 1 379.957 3.554 20 0 GHADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215959 883670856 /nfs/dbraw/zinc/67/08/56/883670856.db2.gz VGOGHHVBPUWCAF-UHFFFAOYSA-N 2 1 379.957 3.554 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000194953095 884005927 /nfs/dbraw/zinc/00/59/27/884005927.db2.gz LXGWIIALACTMRP-IBGZPJMESA-N 2 1 380.964 3.506 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556177633 884026121 /nfs/dbraw/zinc/02/61/21/884026121.db2.gz FKRAAWUZWGKPPM-VXNXHJTFSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556177633 884026134 /nfs/dbraw/zinc/02/61/34/884026134.db2.gz FKRAAWUZWGKPPM-VXNXHJTFSA-N 2 1 391.559 3.645 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC(=O)N1Cc1ccccc1 ZINC000556178803 884028983 /nfs/dbraw/zinc/02/89/83/884028983.db2.gz JIPJSQYBEDJZBE-RLLPEYFOSA-N 2 1 377.532 3.601 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC(=O)N1Cc1ccccc1 ZINC000556178803 884028998 /nfs/dbraw/zinc/02/89/98/884028998.db2.gz JIPJSQYBEDJZBE-RLLPEYFOSA-N 2 1 377.532 3.601 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556217607 884116845 /nfs/dbraw/zinc/11/68/45/884116845.db2.gz NFWWVOHCMYAESI-REWPJTCUSA-N 2 1 379.548 3.523 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556233006 884178010 /nfs/dbraw/zinc/17/80/10/884178010.db2.gz DWIDRWGIAKDCKQ-BHIYHBOVSA-N 2 1 395.473 3.748 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556233006 884178015 /nfs/dbraw/zinc/17/80/15/884178015.db2.gz DWIDRWGIAKDCKQ-BHIYHBOVSA-N 2 1 395.473 3.748 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233504 884184271 /nfs/dbraw/zinc/18/42/71/884184271.db2.gz PWVPDALHJXLQHF-YPAWHYETSA-N 2 1 386.580 3.708 20 0 GHADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000556234591 884185499 /nfs/dbraw/zinc/18/54/99/884185499.db2.gz SLBXNOGWKLSDFV-SFHVURJKSA-N 2 1 398.595 3.756 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+](C)[C@H](Cc4ccccc4)C3)ccc21 ZINC000455860643 884229462 /nfs/dbraw/zinc/22/94/62/884229462.db2.gz QJINBGBGWGPFGO-GGAORHGYSA-N 2 1 392.547 3.626 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)ccc21 ZINC000455860643 884229476 /nfs/dbraw/zinc/22/94/76/884229476.db2.gz QJINBGBGWGPFGO-GGAORHGYSA-N 2 1 392.547 3.626 20 0 GHADMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3cccc(-n4cccc4)c3)C=C2)CC1 ZINC001170494256 884246977 /nfs/dbraw/zinc/24/69/77/884246977.db2.gz YZMYEYCOMGOEGN-XEVCZEQESA-N 2 1 388.515 3.849 20 0 GHADMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc4c(c3)C(C)(C)CO4)C=C2)CC1 ZINC001170499041 884383459 /nfs/dbraw/zinc/38/34/59/884383459.db2.gz CTHBDHKIJNWHQC-WWDZGPRUSA-N 2 1 393.531 3.728 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000105464683 884789148 /nfs/dbraw/zinc/78/91/48/884789148.db2.gz HUWSTCDQNORLCO-QGZVFWFLSA-N 2 1 399.510 3.590 20 0 GHADMP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1(C)C ZINC000262811342 884812491 /nfs/dbraw/zinc/81/24/91/884812491.db2.gz VFUBNUQZKUMPGJ-AVRDEDQJSA-N 2 1 384.524 3.526 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1OC ZINC000173409491 884901629 /nfs/dbraw/zinc/90/16/29/884901629.db2.gz TXXKGVKAYOXBLM-MRXNPFEDSA-N 2 1 387.524 3.871 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000666392194 884917126 /nfs/dbraw/zinc/91/71/26/884917126.db2.gz AVVHUHBQKOLYKN-LBPRGKRZSA-N 2 1 376.879 3.671 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000666392194 884917135 /nfs/dbraw/zinc/91/71/35/884917135.db2.gz AVVHUHBQKOLYKN-LBPRGKRZSA-N 2 1 376.879 3.671 20 0 GHADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130752443 885007261 /nfs/dbraw/zinc/00/72/61/885007261.db2.gz SYBCLDZYYROZDB-DEOSSOPVSA-N 2 1 391.559 3.671 20 0 GHADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130752443 885007277 /nfs/dbraw/zinc/00/72/77/885007277.db2.gz SYBCLDZYYROZDB-DEOSSOPVSA-N 2 1 391.559 3.671 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000763433417 885101958 /nfs/dbraw/zinc/10/19/58/885101958.db2.gz RHSIVWINFWDUSS-GCJKJVERSA-N 2 1 390.568 3.714 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CCN([C@H](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001168193681 885289633 /nfs/dbraw/zinc/28/96/33/885289633.db2.gz QNJNSWQANOYCPN-AEFFLSMTSA-N 2 1 378.944 3.620 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001168193681 885289651 /nfs/dbraw/zinc/28/96/51/885289651.db2.gz QNJNSWQANOYCPN-AEFFLSMTSA-N 2 1 378.944 3.620 20 0 GHADMP COCCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000107315773 885341831 /nfs/dbraw/zinc/34/18/31/885341831.db2.gz OAEAEILWIHEDNL-BGYRXZFFSA-N 2 1 398.547 3.611 20 0 GHADMP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498703584 885413534 /nfs/dbraw/zinc/41/35/34/885413534.db2.gz BULPDBGZJUFQNJ-PZJWPPBQSA-N 2 1 386.584 3.509 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H](c2nccn2C)C1 ZINC000861346919 885419867 /nfs/dbraw/zinc/41/98/67/885419867.db2.gz DBVUXEMIFXJWQS-BHIFYINESA-N 2 1 394.563 3.674 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000303059077 885442039 /nfs/dbraw/zinc/44/20/39/885442039.db2.gz ZXBFNSAXPRWQGX-PMACEKPBSA-N 2 1 383.561 3.666 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000303515126 885605317 /nfs/dbraw/zinc/60/53/17/885605317.db2.gz XSTYQGBDCXPANY-HXUWFJFHSA-N 2 1 396.579 3.847 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000303515126 885605326 /nfs/dbraw/zinc/60/53/26/885605326.db2.gz XSTYQGBDCXPANY-HXUWFJFHSA-N 2 1 396.579 3.847 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000303515126 885605333 /nfs/dbraw/zinc/60/53/33/885605333.db2.gz XSTYQGBDCXPANY-HXUWFJFHSA-N 2 1 396.579 3.847 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000108411877 885667101 /nfs/dbraw/zinc/66/71/01/885667101.db2.gz LJYFGEJLVHFXLZ-UHFFFAOYSA-N 2 1 392.632 3.796 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000498834827 885891025 /nfs/dbraw/zinc/89/10/25/885891025.db2.gz OKFGAECFKHPLJM-HXUWFJFHSA-N 2 1 397.563 3.507 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000550700070 885922511 /nfs/dbraw/zinc/92/25/11/885922511.db2.gz AFQALRNNQNGBQK-DHIUTWEWSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000550700070 885922519 /nfs/dbraw/zinc/92/25/19/885922519.db2.gz AFQALRNNQNGBQK-DHIUTWEWSA-N 2 1 377.532 3.734 20 0 GHADMP Cc1ccc(-n2cc(C[NH2+]CCCN3CCC[N@H+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000151792993 886160112 /nfs/dbraw/zinc/16/01/12/886160112.db2.gz HHIGBIBXVMRLNB-UHFFFAOYSA-N 2 1 397.611 3.595 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN([C@@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490189 886205733 /nfs/dbraw/zinc/20/57/33/886205733.db2.gz XZBUIGWEUSNTMH-NKRSRWBGSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490189 886205752 /nfs/dbraw/zinc/20/57/52/886205752.db2.gz XZBUIGWEUSNTMH-NKRSRWBGSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490189 886205769 /nfs/dbraw/zinc/20/57/69/886205769.db2.gz XZBUIGWEUSNTMH-NKRSRWBGSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490189 886205788 /nfs/dbraw/zinc/20/57/88/886205788.db2.gz XZBUIGWEUSNTMH-NKRSRWBGSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H](C)Cc3cccc(F)c3)CC[C@@H]21 ZINC001168490189 886205797 /nfs/dbraw/zinc/20/57/97/886205797.db2.gz XZBUIGWEUSNTMH-NKRSRWBGSA-N 2 1 384.543 3.827 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001168319709 886247941 /nfs/dbraw/zinc/24/79/41/886247941.db2.gz WOXJVZUYVKPNQM-YMPMHWPESA-N 2 1 383.552 3.530 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119065889 886403478 /nfs/dbraw/zinc/40/34/78/886403478.db2.gz GKWFDYQXADTUIA-JSRJAPPDSA-N 2 1 392.632 3.793 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168328262 886723194 /nfs/dbraw/zinc/72/31/94/886723194.db2.gz BZGOGWMIDAZKJC-FJBKBRRZSA-N 2 1 393.494 3.637 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495782988 886746347 /nfs/dbraw/zinc/74/63/47/886746347.db2.gz DRIQENCUQKDLNI-DEOSSOPVSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762737752 886774025 /nfs/dbraw/zinc/77/40/25/886774025.db2.gz KMFSFKLXAABXRT-UWJYYQICSA-N 2 1 395.950 3.854 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459271700 886949029 /nfs/dbraw/zinc/94/90/29/886949029.db2.gz WHXPIHVGEAYYKI-ONTIZHBOSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000459271700 886949031 /nfs/dbraw/zinc/94/90/31/886949031.db2.gz WHXPIHVGEAYYKI-ONTIZHBOSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000459271700 886949045 /nfs/dbraw/zinc/94/90/45/886949045.db2.gz WHXPIHVGEAYYKI-ONTIZHBOSA-N 2 1 386.584 3.585 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001184265195 913106816 /nfs/dbraw/zinc/10/68/16/913106816.db2.gz QEOMRRVEQWKZEI-BFGZUXEOSA-N 2 1 394.515 3.856 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001184265659 913107413 /nfs/dbraw/zinc/10/74/13/913107413.db2.gz UUJCZVVHXBGYTO-FSSWDIPSSA-N 2 1 399.579 3.744 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC1)CC1CC1 ZINC000536587146 887332669 /nfs/dbraw/zinc/33/26/69/887332669.db2.gz PXUINQBHXRFIHE-JOCHJYFZSA-N 2 1 392.632 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1)CC1CC1 ZINC000536587146 887332682 /nfs/dbraw/zinc/33/26/82/887332682.db2.gz PXUINQBHXRFIHE-JOCHJYFZSA-N 2 1 392.632 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1)CC1CC1 ZINC000536587146 887332699 /nfs/dbraw/zinc/33/26/99/887332699.db2.gz PXUINQBHXRFIHE-JOCHJYFZSA-N 2 1 392.632 3.508 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000809606451 887576922 /nfs/dbraw/zinc/57/69/22/887576922.db2.gz SHSTXBXRCPNDFG-HOTGVXAUSA-N 2 1 393.373 3.945 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc(Br)c1O ZINC000459357767 887637102 /nfs/dbraw/zinc/63/71/02/887637102.db2.gz DEXMMJXPYPQPKY-CJNGLKHVSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc(Br)c1O ZINC000459357767 887637107 /nfs/dbraw/zinc/63/71/07/887637107.db2.gz DEXMMJXPYPQPKY-CJNGLKHVSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc(Br)c1O ZINC000459357767 887637110 /nfs/dbraw/zinc/63/71/10/887637110.db2.gz DEXMMJXPYPQPKY-CJNGLKHVSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc(Br)c1O ZINC000459357767 887637117 /nfs/dbraw/zinc/63/71/17/887637117.db2.gz DEXMMJXPYPQPKY-CJNGLKHVSA-N 2 1 385.346 3.716 20 0 GHADMP C[C@H]([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524846 888409260 /nfs/dbraw/zinc/40/92/60/888409260.db2.gz OMTKIFSZKBJQCN-ARFHVFGLSA-N 2 1 389.531 3.778 20 0 GHADMP O=C(Cc1cncn1Cc1ccccc1)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000810666414 888754388 /nfs/dbraw/zinc/75/43/88/888754388.db2.gz MUULBNBXQHQMCI-QHCPKHFHSA-N 2 1 389.499 3.682 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000123435989 889140579 /nfs/dbraw/zinc/14/05/79/889140579.db2.gz ANMKCNPLYJNFGN-UHFFFAOYSA-N 2 1 382.430 3.708 20 0 GHADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000123445642 889205057 /nfs/dbraw/zinc/20/50/57/889205057.db2.gz SHHHFMZMZDRXCA-SLFFLAALSA-N 2 1 395.547 3.803 20 0 GHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1cccc(Cl)c1 ZINC000465529284 889251735 /nfs/dbraw/zinc/25/17/35/889251735.db2.gz QPQSIMGBFCOZGA-VQTJNVASSA-N 2 1 394.991 3.849 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000454599282 889358297 /nfs/dbraw/zinc/35/82/97/889358297.db2.gz PCNJKSYBZGWIRK-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1C(F)(F)F ZINC001168515279 889521225 /nfs/dbraw/zinc/52/12/25/889521225.db2.gz RERFMXKSZFFOHM-GOEBONIOSA-N 2 1 391.478 3.533 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000644573947 913375223 /nfs/dbraw/zinc/37/52/23/913375223.db2.gz BDGLXVOPHDQKCK-FOIQADDNSA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000644573947 913375231 /nfs/dbraw/zinc/37/52/31/913375231.db2.gz BDGLXVOPHDQKCK-FOIQADDNSA-N 2 1 375.513 3.889 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245845703 889851609 /nfs/dbraw/zinc/85/16/09/889851609.db2.gz IINSOLASMJCZAX-MSOLQXFVSA-N 2 1 382.552 3.827 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245845703 889851621 /nfs/dbraw/zinc/85/16/21/889851621.db2.gz IINSOLASMJCZAX-MSOLQXFVSA-N 2 1 382.552 3.827 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000246103512 890380102 /nfs/dbraw/zinc/38/01/02/890380102.db2.gz HHMIYEYNNCTYHW-CMKODMSKSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000246103512 890380116 /nfs/dbraw/zinc/38/01/16/890380116.db2.gz HHMIYEYNNCTYHW-CMKODMSKSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000246103512 890380130 /nfs/dbraw/zinc/38/01/30/890380130.db2.gz HHMIYEYNNCTYHW-CMKODMSKSA-N 2 1 392.613 3.504 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000533408695 890480563 /nfs/dbraw/zinc/48/05/63/890480563.db2.gz GYNXKJLVXDNOHQ-UHFFFAOYSA-N 2 1 396.373 3.830 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870912412 890574716 /nfs/dbraw/zinc/57/47/16/890574716.db2.gz HNFKEIVGQZVCSM-BMIPRAEKSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870912412 890574724 /nfs/dbraw/zinc/57/47/24/890574724.db2.gz HNFKEIVGQZVCSM-BMIPRAEKSA-N 2 1 381.923 3.637 20 0 GHADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533514588 890735860 /nfs/dbraw/zinc/73/58/60/890735860.db2.gz AVJBGTWJHYNKPE-IBGZPJMESA-N 2 1 379.548 3.777 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000871359799 890790563 /nfs/dbraw/zinc/79/05/63/890790563.db2.gz VBYCTNIAAXIJGE-MVBMGLOESA-N 2 1 386.584 3.872 20 0 GHADMP C[N@@H+](CCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000127220722 890957198 /nfs/dbraw/zinc/95/71/98/890957198.db2.gz NBLNKWAHLBBQAF-UHFFFAOYSA-N 2 1 390.572 3.540 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](CC)CC)cc1 ZINC000455442976 890969217 /nfs/dbraw/zinc/96/92/17/890969217.db2.gz DDBORHPTXBTKHT-KBRMVUAJSA-N 2 1 386.584 3.556 20 0 GHADMP C[C@H](c1ccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1)[NH+]1CCOCC1 ZINC000171805406 891079535 /nfs/dbraw/zinc/07/95/35/891079535.db2.gz QOOCKUGOQVIDOS-QGZVFWFLSA-N 2 1 382.508 3.785 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000075537014 891309152 /nfs/dbraw/zinc/30/91/52/891309152.db2.gz AHUJNRJALXARQK-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP Cc1occc1-c1nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=S)n1C ZINC000872743651 891320328 /nfs/dbraw/zinc/32/03/28/891320328.db2.gz GVRGOSMGHVRRLD-UHFFFAOYSA-N 2 1 391.585 3.777 20 0 GHADMP Cc1occc1-c1nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=S)n1C ZINC000872743651 891320344 /nfs/dbraw/zinc/32/03/44/891320344.db2.gz GVRGOSMGHVRRLD-UHFFFAOYSA-N 2 1 391.585 3.777 20 0 GHADMP FC(F)(F)c1cnc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(Cl)c1 ZINC000247004828 891332112 /nfs/dbraw/zinc/33/21/12/891332112.db2.gz UGQSYQUWDWHTTA-KKUMJFAQSA-N 2 1 388.865 3.549 20 0 GHADMP FC(F)(F)c1cnc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(Cl)c1 ZINC000247004813 891332458 /nfs/dbraw/zinc/33/24/58/891332458.db2.gz UGQSYQUWDWHTTA-ILXRZTDVSA-N 2 1 388.865 3.549 20 0 GHADMP CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000873231331 891534442 /nfs/dbraw/zinc/53/44/42/891534442.db2.gz GLLRFKOGGMILOR-LPHOPBHVSA-N 2 1 378.586 3.636 20 0 GHADMP CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000873231331 891534447 /nfs/dbraw/zinc/53/44/47/891534447.db2.gz GLLRFKOGGMILOR-LPHOPBHVSA-N 2 1 378.586 3.636 20 0 GHADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128389929 891828582 /nfs/dbraw/zinc/82/85/82/891828582.db2.gz SESBCZYHAUJHFF-FQEVSTJZSA-N 2 1 396.417 3.778 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000813788764 891973878 /nfs/dbraw/zinc/97/38/78/891973878.db2.gz XJHABAKVYBWGGH-ICSRJNTNSA-N 2 1 391.531 3.588 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000497602340 891986680 /nfs/dbraw/zinc/98/66/80/891986680.db2.gz CMPTWKMBIFHLTB-QFIPXVFZSA-N 2 1 383.580 3.669 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000813881341 892063880 /nfs/dbraw/zinc/06/38/80/892063880.db2.gz OUHLYUAIFSQQTJ-JRPXHMSNSA-N 2 1 384.564 3.888 20 0 GHADMP c1csc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261968601 892181102 /nfs/dbraw/zinc/18/11/02/892181102.db2.gz HZWLXLSLMSMPLV-JOCHJYFZSA-N 2 1 378.545 3.845 20 0 GHADMP c1csc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261968601 892181117 /nfs/dbraw/zinc/18/11/17/892181117.db2.gz HZWLXLSLMSMPLV-JOCHJYFZSA-N 2 1 378.545 3.845 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262311996 892260567 /nfs/dbraw/zinc/26/05/67/892260567.db2.gz PEHAVUCQTWNICL-QHJRAYEYSA-N 2 1 383.580 3.831 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)ncn1 ZINC000508708598 892775000 /nfs/dbraw/zinc/77/50/00/892775000.db2.gz CUHTYEWFWPTGJM-NWSQWKLXSA-N 2 1 393.579 3.508 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714120 892792659 /nfs/dbraw/zinc/79/26/59/892792659.db2.gz URPJXNBCPNWONB-BWKNWUBXSA-N 3 1 393.575 3.519 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721005 892973977 /nfs/dbraw/zinc/97/39/77/892973977.db2.gz OGQCKBYFYAERCM-OFVILXPXSA-N 2 1 393.575 3.519 20 0 GHADMP CCC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2ccccn21 ZINC000129102427 893032948 /nfs/dbraw/zinc/03/29/48/893032948.db2.gz BLEYYRRACYBAMA-YLJYHZDGSA-N 2 1 381.524 3.862 20 0 GHADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498073137 893114788 /nfs/dbraw/zinc/11/47/88/893114788.db2.gz HETQGFFXZLXEEW-SUMDDJOVSA-N 2 1 385.474 3.722 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000918121775 893198792 /nfs/dbraw/zinc/19/87/92/893198792.db2.gz MZWCNMDWYHGUGB-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563086534 893355278 /nfs/dbraw/zinc/35/52/78/893355278.db2.gz MUNDQIKDEMKTPU-DLXYCPAXSA-N 2 1 393.934 3.509 20 0 GHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2nc(Cl)cs2)c1)C1CCOCC1 ZINC000877004662 893429883 /nfs/dbraw/zinc/42/98/83/893429883.db2.gz LTYKBZGZDLOCDP-UHFFFAOYSA-N 2 1 395.956 3.576 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2nc(Cl)cs2)c1)C1CCOCC1 ZINC000877004662 893429893 /nfs/dbraw/zinc/42/98/93/893429893.db2.gz LTYKBZGZDLOCDP-UHFFFAOYSA-N 2 1 395.956 3.576 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934382 893440313 /nfs/dbraw/zinc/44/03/13/893440313.db2.gz HYFSCTQJNDNTEM-UWJYYQICSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934382 893440317 /nfs/dbraw/zinc/44/03/17/893440317.db2.gz HYFSCTQJNDNTEM-UWJYYQICSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934382 893440324 /nfs/dbraw/zinc/44/03/24/893440324.db2.gz HYFSCTQJNDNTEM-UWJYYQICSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934382 893440329 /nfs/dbraw/zinc/44/03/29/893440329.db2.gz HYFSCTQJNDNTEM-UWJYYQICSA-N 2 1 387.568 3.752 20 0 GHADMP CCCC[NH+]1CCC([NH2+]Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459392094 893447853 /nfs/dbraw/zinc/44/78/53/893447853.db2.gz LBNDUEGFTWWWDX-UHFFFAOYSA-N 2 1 385.346 3.908 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459444017 893536374 /nfs/dbraw/zinc/53/63/74/893536374.db2.gz QKQPKVDCTOTURJ-RBBKRZOGSA-N 3 1 378.564 3.941 20 0 GHADMP Cc1cc(Cl)ccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000129566534 893641578 /nfs/dbraw/zinc/64/15/78/893641578.db2.gz XANMTRHHARUFMG-HXUWFJFHSA-N 2 1 385.939 3.636 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000563367133 893670381 /nfs/dbraw/zinc/67/03/81/893670381.db2.gz CUCNQNCHGZXFSU-FQEVSTJZSA-N 2 1 377.960 3.856 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000556092907 893703489 /nfs/dbraw/zinc/70/34/89/893703489.db2.gz GBIZAOPOAAXGCP-DNQXCXABSA-N 2 1 391.559 3.964 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000556092907 893703499 /nfs/dbraw/zinc/70/34/99/893703499.db2.gz GBIZAOPOAAXGCP-DNQXCXABSA-N 2 1 391.559 3.964 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000556092908 893703676 /nfs/dbraw/zinc/70/36/76/893703676.db2.gz GBIZAOPOAAXGCP-RPWUZVMVSA-N 2 1 391.559 3.964 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000556092908 893703687 /nfs/dbraw/zinc/70/36/87/893703687.db2.gz GBIZAOPOAAXGCP-RPWUZVMVSA-N 2 1 391.559 3.964 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000563417534 893711985 /nfs/dbraw/zinc/71/19/85/893711985.db2.gz MSBZPMLLYPETRV-KNQAVFIVSA-N 2 1 395.547 3.670 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001137123280 893740461 /nfs/dbraw/zinc/74/04/61/893740461.db2.gz JCTCCSFGKYJJQF-TZIWHRDSSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+]1CCN(C2CC[NH+](Cc3c(OC(F)F)ccc4ccccc43)CC2)CC1 ZINC000877748152 893788180 /nfs/dbraw/zinc/78/81/80/893788180.db2.gz UIINFZKKBWNZRG-UHFFFAOYSA-N 2 1 389.490 3.653 20 0 GHADMP CC(C)C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118127 893831559 /nfs/dbraw/zinc/83/15/59/893831559.db2.gz LCFPVQVNJHPOLB-FHWLQOOXSA-N 2 1 386.565 3.921 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563506642 893843719 /nfs/dbraw/zinc/84/37/19/893843719.db2.gz UMKWGCJPAOMXJA-OAQYLSRUSA-N 2 1 378.520 3.712 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000536855672 893943436 /nfs/dbraw/zinc/94/34/36/893943436.db2.gz BXHUEVPMTHFSEO-HNNXBMFYSA-N 2 1 382.895 3.915 20 0 GHADMP CCOC(=O)[C@H](CC(C)(C)F)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001170790365 893948177 /nfs/dbraw/zinc/94/81/77/893948177.db2.gz AMAVEDFDFWUSGG-WMZOPIPTSA-N 2 1 390.503 3.833 20 0 GHADMP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000878132370 894041764 /nfs/dbraw/zinc/04/17/64/894041764.db2.gz SWWXOWLIUYSVKY-GOSISDBHSA-N 2 1 395.547 3.565 20 0 GHADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000878132370 894041782 /nfs/dbraw/zinc/04/17/82/894041782.db2.gz SWWXOWLIUYSVKY-GOSISDBHSA-N 2 1 395.547 3.565 20 0 GHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160142 894059795 /nfs/dbraw/zinc/05/97/95/894059795.db2.gz HCUQIUVZDWJGJC-PKTZIBPZSA-N 2 1 384.564 3.703 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160142 894059802 /nfs/dbraw/zinc/05/98/02/894059802.db2.gz HCUQIUVZDWJGJC-PKTZIBPZSA-N 2 1 384.564 3.703 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160142 894059817 /nfs/dbraw/zinc/05/98/17/894059817.db2.gz HCUQIUVZDWJGJC-PKTZIBPZSA-N 2 1 384.564 3.703 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460110606 894700460 /nfs/dbraw/zinc/70/04/60/894700460.db2.gz MKYYJQOLNWFKIQ-QFIPXVFZSA-N 2 1 385.596 3.869 20 0 GHADMP COc1cccc([C@@H](O)C[N@H+](CCCn2cc[nH+]c2C)Cc2ccccc2)c1 ZINC000127409848 894726117 /nfs/dbraw/zinc/72/61/17/894726117.db2.gz BCIPTTPHBSVTPO-QHCPKHFHSA-N 2 1 379.504 3.826 20 0 GHADMP COc1cccc([C@@H](O)C[N@@H+](CCCn2cc[nH+]c2C)Cc2ccccc2)c1 ZINC000127409848 894726131 /nfs/dbraw/zinc/72/61/31/894726131.db2.gz BCIPTTPHBSVTPO-QHCPKHFHSA-N 2 1 379.504 3.826 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1c1ccccc1 ZINC000645454296 913908013 /nfs/dbraw/zinc/90/80/13/913908013.db2.gz YUJHNLPTCSFCML-GVAUOCQISA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1c1ccccc1 ZINC000645454296 913908021 /nfs/dbraw/zinc/90/80/21/913908021.db2.gz YUJHNLPTCSFCML-GVAUOCQISA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1c1ccccc1 ZINC000645454296 913908029 /nfs/dbraw/zinc/90/80/29/913908029.db2.gz YUJHNLPTCSFCML-GVAUOCQISA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544110 894913608 /nfs/dbraw/zinc/91/36/08/894913608.db2.gz XPWDMFXEQQCJGC-IRXDYDNUSA-N 2 1 393.597 3.805 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544110 894913618 /nfs/dbraw/zinc/91/36/18/894913618.db2.gz XPWDMFXEQQCJGC-IRXDYDNUSA-N 2 1 393.597 3.805 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000564538449 895063756 /nfs/dbraw/zinc/06/37/56/895063756.db2.gz WIYBSESAZHAKIL-RBBKRZOGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000564538449 895063768 /nfs/dbraw/zinc/06/37/68/895063768.db2.gz WIYBSESAZHAKIL-RBBKRZOGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC000564538449 895063785 /nfs/dbraw/zinc/06/37/85/895063785.db2.gz WIYBSESAZHAKIL-RBBKRZOGSA-N 2 1 380.532 3.966 20 0 GHADMP c1cc([C@@H]2CC[NH+](Cc3cncc(C[N@H+]4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665023 895165362 /nfs/dbraw/zinc/16/53/62/895165362.db2.gz DCFZKJCIOUUTMB-JWQCQUIFSA-N 2 1 399.542 3.851 20 0 GHADMP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000564988666 895339344 /nfs/dbraw/zinc/33/93/44/895339344.db2.gz MWLWDAOLYLEMSD-QTEQDKRBSA-N 2 1 393.531 3.697 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C/CCc1ccccc1 ZINC001137148329 895422503 /nfs/dbraw/zinc/42/25/03/895422503.db2.gz BIEMXOCFSSVBGL-YRNVUSSQSA-N 2 1 397.607 3.830 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000565312989 895524720 /nfs/dbraw/zinc/52/47/20/895524720.db2.gz ZMSCKXFRMPGPSA-MMOPVJDHSA-N 2 1 392.465 3.680 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000565312989 895524731 /nfs/dbraw/zinc/52/47/31/895524731.db2.gz ZMSCKXFRMPGPSA-MMOPVJDHSA-N 2 1 392.465 3.680 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1F ZINC000565317319 895528912 /nfs/dbraw/zinc/52/89/12/895528912.db2.gz MEGKTPJBFXNQQX-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP C=Cc1ccccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000880211704 895574238 /nfs/dbraw/zinc/57/42/38/895574238.db2.gz SXANFQAMCKKKJX-UHFFFAOYSA-N 2 1 384.568 3.990 20 0 GHADMP CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000128314492 895594795 /nfs/dbraw/zinc/59/47/95/895594795.db2.gz CAVARCBQTHOYDR-DEOSSOPVSA-N 2 1 382.548 3.804 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)CC2)cc1 ZINC001136014784 895911558 /nfs/dbraw/zinc/91/15/58/895911558.db2.gz KJVNIDHJAPPITK-UHFFFAOYSA-N 2 1 390.531 3.947 20 0 GHADMP C[C@]1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000817926950 895950084 /nfs/dbraw/zinc/95/00/84/895950084.db2.gz AHRYNABLVSUTGA-CAOCKLPOSA-N 3 1 391.559 3.744 20 0 GHADMP C[C@]1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000817926950 895950089 /nfs/dbraw/zinc/95/00/89/895950089.db2.gz AHRYNABLVSUTGA-CAOCKLPOSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@]1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000817926950 895950092 /nfs/dbraw/zinc/95/00/92/895950092.db2.gz AHRYNABLVSUTGA-CAOCKLPOSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@]1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCN(Cc2ccccc2)C1 ZINC000817926950 895950098 /nfs/dbraw/zinc/95/00/98/895950098.db2.gz AHRYNABLVSUTGA-CAOCKLPOSA-N 2 1 391.559 3.744 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000565887481 895958924 /nfs/dbraw/zinc/95/89/24/895958924.db2.gz RVDUKMVBKWHQJW-JTHBVZDNSA-N 2 1 392.547 3.972 20 0 GHADMP O=C(Cn1c[nH+]c2c1CCCC2)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000566285475 896216598 /nfs/dbraw/zinc/21/65/98/896216598.db2.gz SKIKQQPMTJVCBL-UHFFFAOYSA-N 2 1 398.576 3.979 20 0 GHADMP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Cl)cc1Cl ZINC000818941077 896285027 /nfs/dbraw/zinc/28/50/27/896285027.db2.gz CMCLAFVHKGBJPL-FQEVSTJZSA-N 2 1 395.330 3.649 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818959653 896296678 /nfs/dbraw/zinc/29/66/78/896296678.db2.gz PVSZBROWRAWQNA-KBXCAEBGSA-N 2 1 387.337 3.723 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818968704 896327713 /nfs/dbraw/zinc/32/77/13/896327713.db2.gz FOMLEQVLWHYITH-SFHVURJKSA-N 2 1 387.337 3.648 20 0 GHADMP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000819327554 896572729 /nfs/dbraw/zinc/57/27/29/896572729.db2.gz FRJFVCPDKXQIRQ-GLCCWIKHSA-N 2 1 380.532 3.602 20 0 GHADMP COCC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000567320978 897056915 /nfs/dbraw/zinc/05/69/15/897056915.db2.gz JJXMRUCOUHXWMR-NUNAXRQHSA-N 2 1 393.531 3.557 20 0 GHADMP COCC(=O)Nc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000567320978 897056928 /nfs/dbraw/zinc/05/69/28/897056928.db2.gz JJXMRUCOUHXWMR-NUNAXRQHSA-N 2 1 393.531 3.557 20 0 GHADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000567695678 897342194 /nfs/dbraw/zinc/34/21/94/897342194.db2.gz WGKYEVXNMPBNBR-FQEVSTJZSA-N 2 1 392.507 3.556 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000567695678 897342204 /nfs/dbraw/zinc/34/22/04/897342204.db2.gz WGKYEVXNMPBNBR-FQEVSTJZSA-N 2 1 392.507 3.556 20 0 GHADMP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)cc1 ZINC000883585986 897735513 /nfs/dbraw/zinc/73/55/13/897735513.db2.gz BZLZDZSSIPHSBB-IIBYNOLFSA-N 2 1 379.508 3.635 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000568609574 897979593 /nfs/dbraw/zinc/97/95/93/897979593.db2.gz FSEMSWISKMVVPE-VHKYSDTDSA-N 2 1 386.927 3.604 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000568609574 897979604 /nfs/dbraw/zinc/97/96/04/897979604.db2.gz FSEMSWISKMVVPE-VHKYSDTDSA-N 2 1 386.927 3.604 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc2sc(C)cc12 ZINC001136541527 898213135 /nfs/dbraw/zinc/21/31/35/898213135.db2.gz FCALGUVXKMRWFI-KRWDZBQOSA-N 2 1 393.622 3.688 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 ZINC001136541433 898213243 /nfs/dbraw/zinc/21/32/43/898213243.db2.gz AQFZJCWGANPMRB-FQEVSTJZSA-N 2 1 398.595 3.954 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000569028889 898285839 /nfs/dbraw/zinc/28/58/39/898285839.db2.gz NAKDEUVCXVVLSY-GHTZIAJQSA-N 2 1 389.609 3.782 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000569504378 898721816 /nfs/dbraw/zinc/72/18/16/898721816.db2.gz VOMDPGYSVMNPBI-UHFFFAOYSA-N 2 1 381.923 3.638 20 0 GHADMP C[C@@H]([NH3+])[C@@H](C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000822956680 898753114 /nfs/dbraw/zinc/75/31/14/898753114.db2.gz NNTJUULVUIOGFL-IAGOWNOFSA-N 2 1 392.503 3.687 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccnc(Cl)c3F)CC2)CC1 ZINC000823478018 899051718 /nfs/dbraw/zinc/05/17/18/899051718.db2.gz YZOFTMMMGAMPMK-UHFFFAOYSA-N 2 1 382.955 3.502 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnc(Cl)c3F)CC2)CC1 ZINC000823478018 899051726 /nfs/dbraw/zinc/05/17/26/899051726.db2.gz YZOFTMMMGAMPMK-UHFFFAOYSA-N 2 1 382.955 3.502 20 0 GHADMP Clc1cccc2c1CC[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCC4)n3CC1)C2 ZINC001171041508 899352962 /nfs/dbraw/zinc/35/29/62/899352962.db2.gz ACLKGIKNOWNNCY-GOSISDBHSA-N 2 1 384.955 3.548 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(-c2ccccc2)nn1C ZINC000570524789 899359300 /nfs/dbraw/zinc/35/93/00/899359300.db2.gz JWRYAFBWLBHGNZ-AMHTUMDSSA-N 2 1 382.552 3.506 20 0 GHADMP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000570551688 899380505 /nfs/dbraw/zinc/38/05/05/899380505.db2.gz MFNNKQNNTCJPPU-FQEVSTJZSA-N 2 1 378.476 3.628 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCCC1 ZINC000824426289 899594124 /nfs/dbraw/zinc/59/41/24/899594124.db2.gz CUJFUNFFTJPNKK-QGZVFWFLSA-N 2 1 382.556 3.637 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1C ZINC001136924556 899747842 /nfs/dbraw/zinc/74/78/42/899747842.db2.gz GTZPLYFISXLCQW-UHFFFAOYSA-N 2 1 389.584 3.966 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c1C ZINC001136924556 899747846 /nfs/dbraw/zinc/74/78/46/899747846.db2.gz GTZPLYFISXLCQW-UHFFFAOYSA-N 2 1 389.584 3.966 20 0 GHADMP COc1cc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc(OC)c1O ZINC000571125789 899751618 /nfs/dbraw/zinc/75/16/18/899751618.db2.gz JPESBDWBISCVOT-QGZVFWFLSA-N 2 1 376.541 3.886 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571126166 899752322 /nfs/dbraw/zinc/75/23/22/899752322.db2.gz SMFHJGGYCSXQCH-RNQOJCNYSA-N 2 1 384.486 3.970 20 0 GHADMP C[C@H]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824930072 899893863 /nfs/dbraw/zinc/89/38/63/899893863.db2.gz ZZAJHSIDJLPITM-ROUUACIJSA-N 2 1 382.556 3.637 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000333108595 899969263 /nfs/dbraw/zinc/96/92/63/899969263.db2.gz GASUAQHDQFNHFG-HRAATJIYSA-N 2 1 398.576 3.575 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571924031 900009003 /nfs/dbraw/zinc/00/90/03/900009003.db2.gz HZQPEPUFPNBLMC-UXHICEINSA-N 2 1 398.595 3.776 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571924031 900009012 /nfs/dbraw/zinc/00/90/12/900009012.db2.gz HZQPEPUFPNBLMC-UXHICEINSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001137208883 900028835 /nfs/dbraw/zinc/02/88/35/900028835.db2.gz OZAFGDVKHLIZRH-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001137208883 900028843 /nfs/dbraw/zinc/02/88/43/900028843.db2.gz OZAFGDVKHLIZRH-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC001137208883 900028849 /nfs/dbraw/zinc/02/88/49/900028849.db2.gz OZAFGDVKHLIZRH-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC001137208883 900028856 /nfs/dbraw/zinc/02/88/56/900028856.db2.gz OZAFGDVKHLIZRH-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1nc(C(F)(F)F)c[nH]1)CC2 ZINC001137014016 900068922 /nfs/dbraw/zinc/06/89/22/900068922.db2.gz XOBUIEYTFRJOCX-UHFFFAOYSA-N 2 1 393.457 3.700 20 0 GHADMP Clc1cc(Cl)c2c(c1)CC[C@@H]([NH+]1CCN(CC[NH+]3CCCC3)CC1)C2 ZINC001171089128 900165696 /nfs/dbraw/zinc/16/56/96/900165696.db2.gz YORGGYGCBOGIEE-GOSISDBHSA-N 2 1 382.379 3.564 20 0 GHADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001143679596 900337591 /nfs/dbraw/zinc/33/75/91/900337591.db2.gz OFUXPMQENCEUAE-QHCPKHFHSA-N 2 1 379.548 3.504 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001143679596 900337607 /nfs/dbraw/zinc/33/76/07/900337607.db2.gz OFUXPMQENCEUAE-QHCPKHFHSA-N 2 1 379.548 3.504 20 0 GHADMP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573146315 900392729 /nfs/dbraw/zinc/39/27/29/900392729.db2.gz XTDYNCHPVRUYKJ-PMACEKPBSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573146315 900392736 /nfs/dbraw/zinc/39/27/36/900392736.db2.gz XTDYNCHPVRUYKJ-PMACEKPBSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573146315 900392738 /nfs/dbraw/zinc/39/27/38/900392738.db2.gz XTDYNCHPVRUYKJ-PMACEKPBSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573146315 900392744 /nfs/dbraw/zinc/39/27/44/900392744.db2.gz XTDYNCHPVRUYKJ-PMACEKPBSA-N 2 1 384.593 3.943 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CCC4(CC3)OCCO4)C2)s1 ZINC000844328229 900733814 /nfs/dbraw/zinc/73/38/14/900733814.db2.gz WYHGZASOEBDNBI-IBGZPJMESA-N 2 1 378.582 3.744 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CCC4(CC3)OCCO4)C2)s1 ZINC000844328229 900733815 /nfs/dbraw/zinc/73/38/15/900733815.db2.gz WYHGZASOEBDNBI-IBGZPJMESA-N 2 1 378.582 3.744 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CCC4(CC3)OCCO4)C2)s1 ZINC000844328229 900733819 /nfs/dbraw/zinc/73/38/19/900733819.db2.gz WYHGZASOEBDNBI-IBGZPJMESA-N 2 1 378.582 3.744 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ncc(C(C)(C)C)s3)CC2)CC1 ZINC000574925555 901055567 /nfs/dbraw/zinc/05/55/67/901055567.db2.gz FOJPNLNUFBQXSE-UHFFFAOYSA-N 2 1 378.586 3.575 20 0 GHADMP COc1ccccc1[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1nccn1C ZINC000886498630 901081001 /nfs/dbraw/zinc/08/10/01/901081001.db2.gz JKRFOMKGIZBRPL-JRSYVHTFSA-N 2 1 382.552 3.905 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886516378 901112631 /nfs/dbraw/zinc/11/26/31/901112631.db2.gz FUXMHHFKRDEIID-WWNPGLIZSA-N 2 1 383.580 3.666 20 0 GHADMP CCc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc(CC)c1O ZINC001144142882 901121385 /nfs/dbraw/zinc/12/13/85/901121385.db2.gz QZBKNDGAZAENKR-UHFFFAOYSA-N 2 1 396.579 3.758 20 0 GHADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CCC2 ZINC000576206562 901812378 /nfs/dbraw/zinc/81/23/78/901812378.db2.gz QIVQZHMHWZBZMZ-WBVHZDCISA-N 2 1 390.622 3.723 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144411429 902074144 /nfs/dbraw/zinc/07/41/44/902074144.db2.gz HZPBABPMYOSLAW-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144411429 902074151 /nfs/dbraw/zinc/07/41/51/902074151.db2.gz HZPBABPMYOSLAW-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144411429 902074153 /nfs/dbraw/zinc/07/41/53/902074153.db2.gz HZPBABPMYOSLAW-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144411429 902074161 /nfs/dbraw/zinc/07/41/61/902074161.db2.gz HZPBABPMYOSLAW-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC000333468920 902115562 /nfs/dbraw/zinc/11/55/62/902115562.db2.gz QXKFMRSBPABBAW-RXVVDRJESA-N 2 1 398.551 3.779 20 0 GHADMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC000333468920 902115571 /nfs/dbraw/zinc/11/55/71/902115571.db2.gz QXKFMRSBPABBAW-RXVVDRJESA-N 2 1 398.551 3.779 20 0 GHADMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC000333468920 902115579 /nfs/dbraw/zinc/11/55/79/902115579.db2.gz QXKFMRSBPABBAW-RXVVDRJESA-N 2 1 398.551 3.779 20 0 GHADMP Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125021028 902155026 /nfs/dbraw/zinc/15/50/26/902155026.db2.gz SDZSBOSUBQYSTI-KRWDZBQOSA-N 2 1 387.549 3.568 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126678423 902351443 /nfs/dbraw/zinc/35/14/43/902351443.db2.gz ZGYBHDXRHDNJOK-UXDRXVOSSA-N 2 1 377.960 3.682 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126678423 902351457 /nfs/dbraw/zinc/35/14/57/902351457.db2.gz ZGYBHDXRHDNJOK-UXDRXVOSSA-N 2 1 377.960 3.682 20 0 GHADMP C[C@@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000845953410 902527824 /nfs/dbraw/zinc/52/78/24/902527824.db2.gz HUFUAGCYJYFMSF-RRENTHDGSA-N 2 1 379.589 3.922 20 0 GHADMP O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000577163030 902556168 /nfs/dbraw/zinc/55/61/68/902556168.db2.gz OMLCDICPWRLMOQ-QFIPXVFZSA-N 2 1 398.595 3.551 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000577271848 902637058 /nfs/dbraw/zinc/63/70/58/902637058.db2.gz CNIWUWBIWFLABM-XXBNENTESA-N 2 1 394.563 3.899 20 0 GHADMP COc1c(F)ccc(F)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001144750904 902802584 /nfs/dbraw/zinc/80/25/84/902802584.db2.gz AQFLVQODGDRJND-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000779014919 902867551 /nfs/dbraw/zinc/86/75/51/902867551.db2.gz RKENETOHJGKUPY-DOTOQJQBSA-N 2 1 388.556 3.550 20 0 GHADMP CN(CCCN1CC[NH+](C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846837501 903258635 /nfs/dbraw/zinc/25/86/35/903258635.db2.gz NPURZPHNSQULAJ-UHFFFAOYSA-N 2 1 381.351 3.611 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000779033448 903268438 /nfs/dbraw/zinc/26/84/38/903268438.db2.gz MFVZGWATJGFSCD-ZGXWSNOMSA-N 2 1 397.604 3.549 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000601236727 903494089 /nfs/dbraw/zinc/49/40/89/903494089.db2.gz STIWGHPMYNBPJF-SIKLNZKXSA-N 2 1 386.584 3.733 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)CCCn3cc[nH+]c3C)c2)cc1 ZINC000578370290 903776598 /nfs/dbraw/zinc/77/65/98/903776598.db2.gz WYEUQXVZZDGTRA-UHFFFAOYSA-N 2 1 392.503 3.975 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CCCn3cc[nH+]c3C)c2)cc1 ZINC000578370290 903776605 /nfs/dbraw/zinc/77/66/05/903776605.db2.gz WYEUQXVZZDGTRA-UHFFFAOYSA-N 2 1 392.503 3.975 20 0 GHADMP OCc1ccc(C[NH+]2CCCC3(CCC[N@H+](Cc4ccc(CO)cc4)C3)C2)cc1 ZINC000578372188 903777854 /nfs/dbraw/zinc/77/78/54/903777854.db2.gz RRRRQODSPLSAFA-UHFFFAOYSA-N 2 1 394.559 3.549 20 0 GHADMP COc1cccc2c1C[C@@H](Nc1ccc3c(c1)[nH+]cn3[C@H]1CCC[NH2+]CC1)CO2 ZINC001171312401 903838959 /nfs/dbraw/zinc/83/89/59/903838959.db2.gz GKUFAHLBKGSUNX-MSOLQXFVSA-N 2 1 392.503 3.775 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000779073095 903902041 /nfs/dbraw/zinc/90/20/41/903902041.db2.gz KMXASGRRYVVNRM-IRLDBZIGSA-N 2 1 393.522 3.871 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000779073095 903902048 /nfs/dbraw/zinc/90/20/48/903902048.db2.gz KMXASGRRYVVNRM-IRLDBZIGSA-N 2 1 393.522 3.871 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000646682409 914771016 /nfs/dbraw/zinc/77/10/16/914771016.db2.gz XNYRZYZLWZXOOJ-HDICACEKSA-N 2 1 396.579 3.644 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000646682409 914771022 /nfs/dbraw/zinc/77/10/22/914771022.db2.gz XNYRZYZLWZXOOJ-HDICACEKSA-N 2 1 396.579 3.644 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000646682409 914771036 /nfs/dbraw/zinc/77/10/36/914771036.db2.gz XNYRZYZLWZXOOJ-HDICACEKSA-N 2 1 396.579 3.644 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000646682409 914771045 /nfs/dbraw/zinc/77/10/45/914771045.db2.gz XNYRZYZLWZXOOJ-HDICACEKSA-N 2 1 396.579 3.644 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000646681753 914771561 /nfs/dbraw/zinc/77/15/61/914771561.db2.gz PYFNKPZXOXCQQM-QHCPKHFHSA-N 2 1 385.596 3.569 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000773014179 904374507 /nfs/dbraw/zinc/37/45/07/904374507.db2.gz ITCADQQUNMWUBG-JCGIZDLHSA-N 2 1 389.367 3.753 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc1 ZINC000773136916 904464544 /nfs/dbraw/zinc/46/45/44/904464544.db2.gz OCVRACRWKDDADZ-AQNXPRMDSA-N 2 1 380.598 3.802 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)c(F)c1 ZINC000773142626 904480241 /nfs/dbraw/zinc/48/02/41/904480241.db2.gz YUNJYHUNSYBFCJ-NRFANRHFSA-N 2 1 376.903 3.809 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000579372116 904550450 /nfs/dbraw/zinc/55/04/50/904550450.db2.gz JJXGFDMIRQKLPN-MRXNPFEDSA-N 2 1 377.960 3.714 20 0 GHADMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171645539 904891685 /nfs/dbraw/zinc/89/16/85/904891685.db2.gz QDZPCWZQNBZLIV-VJFUWPCTSA-N 2 1 397.357 3.736 20 0 GHADMP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)CC1(C)C ZINC001171638423 904927890 /nfs/dbraw/zinc/92/78/90/904927890.db2.gz WIGJTNQYVMZTKX-YZGWKJHDSA-N 2 1 387.568 3.591 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)CC1(C)C ZINC001171638423 904927898 /nfs/dbraw/zinc/92/78/98/904927898.db2.gz WIGJTNQYVMZTKX-YZGWKJHDSA-N 2 1 387.568 3.591 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC001171641088 904930482 /nfs/dbraw/zinc/93/04/82/904930482.db2.gz CJXNFKCXVZBMKL-SJORKVTESA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000779161789 904948139 /nfs/dbraw/zinc/94/81/39/904948139.db2.gz OFOSOTKCDVVNGG-PZJWPPBQSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(Cc3cccc(F)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738790 905025566 /nfs/dbraw/zinc/02/55/66/905025566.db2.gz NTQKNJPGYXOUHU-AUSIDOKSSA-N 2 1 381.539 3.825 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876436 905080889 /nfs/dbraw/zinc/08/08/89/905080889.db2.gz BLTJTRVJTFVMQO-OFNKIYASSA-N 2 1 379.548 3.778 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001171927596 905183510 /nfs/dbraw/zinc/18/35/10/905183510.db2.gz RJJLQYYXOIEMJP-ACBHZAAOSA-N 2 1 394.600 3.899 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171979073 905228195 /nfs/dbraw/zinc/22/81/95/905228195.db2.gz KZBUMVVGUNAJDM-XZOQPEGZSA-N 2 1 391.559 3.934 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC[C@]3(CCN3c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981885 905235946 /nfs/dbraw/zinc/23/59/46/905235946.db2.gz QVWVFFNEJWLAGM-QPPBQGQZSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981885 905235952 /nfs/dbraw/zinc/23/59/52/905235952.db2.gz QVWVFFNEJWLAGM-QPPBQGQZSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CC[C@]3(CCN3c3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981885 905235954 /nfs/dbraw/zinc/23/59/54/905235954.db2.gz QVWVFFNEJWLAGM-QPPBQGQZSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H](CO)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171984970 905242731 /nfs/dbraw/zinc/24/27/31/905242731.db2.gz ZIDKFRPYBMQXSA-GOTSBHOMSA-N 2 1 382.548 3.597 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H](CO)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171984970 905242744 /nfs/dbraw/zinc/24/27/44/905242744.db2.gz ZIDKFRPYBMQXSA-GOTSBHOMSA-N 2 1 382.548 3.597 20 0 GHADMP O=C(N1CCCC1)C12CC(C1)C[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172071235 905275247 /nfs/dbraw/zinc/27/52/47/905275247.db2.gz DDVJHVGOOFOHGG-IZLPKSBDSA-N 2 1 393.575 3.659 20 0 GHADMP O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172071235 905275260 /nfs/dbraw/zinc/27/52/60/905275260.db2.gz DDVJHVGOOFOHGG-IZLPKSBDSA-N 2 1 393.575 3.659 20 0 GHADMP O=C(N1CCCC1)C12CC(C1)C[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071235 905275274 /nfs/dbraw/zinc/27/52/74/905275274.db2.gz DDVJHVGOOFOHGG-IZLPKSBDSA-N 2 1 393.575 3.659 20 0 GHADMP O=C(N1CCCC1)C12CC(C1)C[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071235 905275287 /nfs/dbraw/zinc/27/52/87/905275287.db2.gz DDVJHVGOOFOHGG-IZLPKSBDSA-N 2 1 393.575 3.659 20 0 GHADMP COc1ccc(C[C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172072905 905278737 /nfs/dbraw/zinc/27/87/37/905278737.db2.gz NWKALNYFPKUVOQ-XQUALCHDSA-N 2 1 394.559 3.774 20 0 GHADMP OC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076298 905286830 /nfs/dbraw/zinc/28/68/30/905286830.db2.gz HRWDQJJEPNLEDJ-JLLPCOHGSA-N 2 1 382.523 3.904 20 0 GHADMP CN1CCC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1=O ZINC001172084621 905297695 /nfs/dbraw/zinc/29/76/95/905297695.db2.gz ZHWIKBCFHUOAHH-ZBYYUNFXSA-N 2 1 381.564 3.516 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CCN(Cc4cccnc4)C2)C3)cc1 ZINC001172064322 905329120 /nfs/dbraw/zinc/32/91/20/905329120.db2.gz AAXVALNYZRHLTG-OJJQZRKESA-N 2 1 390.575 3.831 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccccc3Cl)CC1)C2 ZINC001172110298 905356964 /nfs/dbraw/zinc/35/69/64/905356964.db2.gz JRFYQPVDCBBMQR-LMZXCBKASA-N 2 1 389.971 3.986 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccccc3Cl)CC1)C2 ZINC001172110298 905356979 /nfs/dbraw/zinc/35/69/79/905356979.db2.gz JRFYQPVDCBBMQR-LMZXCBKASA-N 2 1 389.971 3.986 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116159 905367999 /nfs/dbraw/zinc/36/79/99/905367999.db2.gz JVWQOVHIOAKMMV-KEZOAJOQSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172116159 905368012 /nfs/dbraw/zinc/36/80/12/905368012.db2.gz JVWQOVHIOAKMMV-KEZOAJOQSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116159 905368028 /nfs/dbraw/zinc/36/80/28/905368028.db2.gz JVWQOVHIOAKMMV-KEZOAJOQSA-N 2 1 397.607 3.757 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116159 905368049 /nfs/dbraw/zinc/36/80/49/905368049.db2.gz JVWQOVHIOAKMMV-KEZOAJOQSA-N 3 1 397.607 3.757 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116159 905368062 /nfs/dbraw/zinc/36/80/62/905368062.db2.gz JVWQOVHIOAKMMV-KEZOAJOQSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172116159 905368079 /nfs/dbraw/zinc/36/80/79/905368079.db2.gz JVWQOVHIOAKMMV-KEZOAJOQSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116159 905368084 /nfs/dbraw/zinc/36/80/84/905368084.db2.gz JVWQOVHIOAKMMV-KEZOAJOQSA-N 3 1 397.607 3.757 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)sc1C ZINC001172119149 905373821 /nfs/dbraw/zinc/37/38/21/905373821.db2.gz SUXWSSOIARIJPF-VTYCOLDWSA-N 2 1 375.582 3.927 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+]([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)sc1C ZINC001172119149 905373836 /nfs/dbraw/zinc/37/38/36/905373836.db2.gz SUXWSSOIARIJPF-VTYCOLDWSA-N 2 1 375.582 3.927 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)sc1C ZINC001172119149 905373857 /nfs/dbraw/zinc/37/38/57/905373857.db2.gz SUXWSSOIARIJPF-VTYCOLDWSA-N 2 1 375.582 3.927 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172335163 905501692 /nfs/dbraw/zinc/50/16/92/905501692.db2.gz FXZFBXYQBFPJPG-RVPFZPFESA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172335163 905501702 /nfs/dbraw/zinc/50/17/02/905501702.db2.gz FXZFBXYQBFPJPG-RVPFZPFESA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001172335163 905501715 /nfs/dbraw/zinc/50/17/15/905501715.db2.gz FXZFBXYQBFPJPG-RVPFZPFESA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001172335163 905501728 /nfs/dbraw/zinc/50/17/28/905501728.db2.gz FXZFBXYQBFPJPG-RVPFZPFESA-N 2 1 388.600 3.652 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H](C)CCOCC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172471845 905553231 /nfs/dbraw/zinc/55/32/31/905553231.db2.gz LMPISMJEKVLHSW-STZQEDGTSA-N 2 1 390.568 3.996 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H](C)CCOC(C)C)CC2 ZINC001172445002 905562285 /nfs/dbraw/zinc/56/22/85/905562285.db2.gz AYIJOCINGUOBQT-IRLDBZIGSA-N 2 1 389.584 3.588 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1)C(C)C ZINC000175675841 905630690 /nfs/dbraw/zinc/63/06/90/905630690.db2.gz GLWAXWRBVUPYKI-UHFFFAOYSA-N 2 1 394.563 3.706 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C[C@H]2C1 ZINC001172547128 905651111 /nfs/dbraw/zinc/65/11/11/905651111.db2.gz UOBFYQLAKNRFQS-YJMBLLCNSA-N 2 1 399.579 3.854 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C[C@H]2C1 ZINC001172547128 905651114 /nfs/dbraw/zinc/65/11/14/905651114.db2.gz UOBFYQLAKNRFQS-YJMBLLCNSA-N 2 1 399.579 3.854 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172864105 905918280 /nfs/dbraw/zinc/91/82/80/905918280.db2.gz UFDSOYYDCOLLHQ-QGZVFWFLSA-N 2 1 389.946 3.947 20 0 GHADMP CC(C)(C)OC(=O)CN1CCC([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172888053 905975678 /nfs/dbraw/zinc/97/56/78/905975678.db2.gz JPXYUDSCSQGQHT-KESTWPANSA-N 2 1 393.616 3.697 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172960647 906070353 /nfs/dbraw/zinc/07/03/53/906070353.db2.gz WRSAMJONPCZJBO-INIZCTEOSA-N 2 1 379.520 3.721 20 0 GHADMP [NH3+]C1(c2ccc(F)cc2)CC[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001172998797 906073397 /nfs/dbraw/zinc/07/33/97/906073397.db2.gz PFPQBAOZOUOFSY-UHFFFAOYSA-N 2 1 399.485 3.519 20 0 GHADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001173243675 906332772 /nfs/dbraw/zinc/33/27/72/906332772.db2.gz CTQWWLIFCJDZOM-BUUDZMLXSA-N 2 1 393.575 3.798 20 0 GHADMP CCc1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001173243675 906332784 /nfs/dbraw/zinc/33/27/84/906332784.db2.gz CTQWWLIFCJDZOM-BUUDZMLXSA-N 2 1 393.575 3.798 20 0 GHADMP CCc1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001173243675 906332796 /nfs/dbraw/zinc/33/27/96/906332796.db2.gz CTQWWLIFCJDZOM-BUUDZMLXSA-N 2 1 393.575 3.798 20 0 GHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)C1 ZINC001173275263 906346268 /nfs/dbraw/zinc/34/62/68/906346268.db2.gz GXDJPZKAYFLGJE-CEMLEFRQSA-N 2 1 378.601 3.795 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178698243 906372629 /nfs/dbraw/zinc/37/26/29/906372629.db2.gz AXZNLZMGLSFKCK-KGLIPLIRSA-N 2 1 382.430 3.853 20 0 GHADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@@H]2CCCC4(CCCCC4)C2)CC3)CC1 ZINC001173343040 906383256 /nfs/dbraw/zinc/38/32/56/906383256.db2.gz GNQHPCKTJLOIJX-HXUWFJFHSA-N 2 1 397.611 3.522 20 0 GHADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@@H]2CCCC4(CCCCC4)C2)CC3)CC1 ZINC001173343040 906383264 /nfs/dbraw/zinc/38/32/64/906383264.db2.gz GNQHPCKTJLOIJX-HXUWFJFHSA-N 2 1 397.611 3.522 20 0 GHADMP COC(=O)CCCC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173442312 906454887 /nfs/dbraw/zinc/45/48/87/906454887.db2.gz CXHSGHOZIKDUED-MISYRCLQSA-N 2 1 376.541 3.889 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)CC2 ZINC001173599840 906552880 /nfs/dbraw/zinc/55/28/80/906552880.db2.gz RNKBOWLYYSQNGP-BUFRVKPJSA-N 2 1 396.575 3.999 20 0 GHADMP [NH3+]C1(c2ccccc2Cl)CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173666605 906603474 /nfs/dbraw/zinc/60/34/74/906603474.db2.gz JNRVFXSPLGPODB-UHFFFAOYSA-N 2 1 375.866 3.617 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173718927 906668820 /nfs/dbraw/zinc/66/88/20/906668820.db2.gz FDEANQHGWCQKKM-XJABCFGWSA-N 2 1 381.520 3.571 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001173726310 906690241 /nfs/dbraw/zinc/69/02/41/906690241.db2.gz VYWKMCQFUVGJHB-IBGZPJMESA-N 2 1 396.531 3.985 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC12CCOCC2 ZINC000629533100 906857329 /nfs/dbraw/zinc/85/73/29/906857329.db2.gz HROXZPJMCYELFU-AWEZNQCLSA-N 2 1 396.318 3.836 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC12CCOCC2 ZINC000629533100 906857334 /nfs/dbraw/zinc/85/73/34/906857334.db2.gz HROXZPJMCYELFU-AWEZNQCLSA-N 2 1 396.318 3.836 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1C(F)(F)F ZINC000629566430 906872408 /nfs/dbraw/zinc/87/24/08/906872408.db2.gz YSZSPWVMPMAQLP-LPHOPBHVSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1C(F)(F)F ZINC000629566430 906872415 /nfs/dbraw/zinc/87/24/15/906872415.db2.gz YSZSPWVMPMAQLP-LPHOPBHVSA-N 2 1 379.426 3.620 20 0 GHADMP C[NH2+]CCOCC[N@@H+](C)Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000629653735 906931110 /nfs/dbraw/zinc/93/11/10/906931110.db2.gz MOEPFPQOWYWGFZ-UHFFFAOYSA-N 2 1 378.948 3.626 20 0 GHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)nc2)cc1 ZINC000629702231 906971189 /nfs/dbraw/zinc/97/11/89/906971189.db2.gz KJVWPSRAFKSXLY-LAUBAEHRSA-N 2 1 378.520 3.671 20 0 GHADMP Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000629705695 906973656 /nfs/dbraw/zinc/97/36/56/906973656.db2.gz NRNSBXBXLAOYBT-XMMPIXPASA-N 2 1 379.548 3.713 20 0 GHADMP COCCC[N@H+](C)CCOc1ccc(-c2cncc(-n3cc[nH+]c3C)c2)cc1 ZINC000629707450 906974124 /nfs/dbraw/zinc/97/41/24/906974124.db2.gz LOQJLWSIRHTWFK-UHFFFAOYSA-N 2 1 380.492 3.590 20 0 GHADMP COCCC[N@@H+](C)CCOc1ccc(-c2cncc(-n3cc[nH+]c3C)c2)cc1 ZINC000629707450 906974139 /nfs/dbraw/zinc/97/41/39/906974139.db2.gz LOQJLWSIRHTWFK-UHFFFAOYSA-N 2 1 380.492 3.590 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OCc1c(C)noc1C ZINC000299332917 921295295 /nfs/dbraw/zinc/29/52/95/921295295.db2.gz LVJDSOYOXRTKFA-UHFFFAOYSA-N 2 1 399.535 3.986 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OCC ZINC000182264890 907172974 /nfs/dbraw/zinc/17/29/74/907172974.db2.gz GRACMTHQUPMOAL-GCJKJVERSA-N 2 1 398.547 3.901 20 0 GHADMP COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc21 ZINC000182265205 907173769 /nfs/dbraw/zinc/17/37/69/907173769.db2.gz ZRBBWHKFCJYOMN-JXFKEZNVSA-N 2 1 380.488 3.859 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCc4ncccc43)C3(C2)CCOCC3)cc1 ZINC000631634899 907785108 /nfs/dbraw/zinc/78/51/08/907785108.db2.gz NWWXAKDUCZVYLP-URXFXBBRSA-N 2 1 391.559 3.977 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000186351297 907912078 /nfs/dbraw/zinc/91/20/78/907912078.db2.gz YLGYMIRPMFTOJT-DKSSKMOQSA-N 2 1 391.559 3.712 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002910 908358985 /nfs/dbraw/zinc/35/89/85/908358985.db2.gz PBDDXVGZISVHMQ-ISKFKSNPSA-N 2 1 378.516 3.541 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002910 908358994 /nfs/dbraw/zinc/35/89/94/908358994.db2.gz PBDDXVGZISVHMQ-ISKFKSNPSA-N 2 1 378.516 3.541 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CC[C@@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002910 908359005 /nfs/dbraw/zinc/35/90/05/908359005.db2.gz PBDDXVGZISVHMQ-ISKFKSNPSA-N 2 1 378.516 3.541 20 0 GHADMP CCCOc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1 ZINC001177103873 908408561 /nfs/dbraw/zinc/40/85/61/908408561.db2.gz CEQZGARCFGHFQP-OAQYLSRUSA-N 2 1 387.593 3.924 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc3ccncc3s2)[C@@H](c2ccccc2)C1 ZINC001177222756 908472055 /nfs/dbraw/zinc/47/20/55/908472055.db2.gz OJFPFSHHJYAREU-OAQYLSRUSA-N 2 1 380.561 3.765 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000801730359 921431529 /nfs/dbraw/zinc/43/15/29/921431529.db2.gz HMQFYENHVMBUMS-XMMPIXPASA-N 2 1 389.547 3.886 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000801730359 921431537 /nfs/dbraw/zinc/43/15/37/921431537.db2.gz HMQFYENHVMBUMS-XMMPIXPASA-N 2 1 389.547 3.886 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(I)c(F)c2F)CC1 ZINC001206311392 908819741 /nfs/dbraw/zinc/81/97/41/908819741.db2.gz NKYKHVYLDBWHRT-HNNXBMFYSA-N 2 1 394.247 3.520 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(I)c(F)c2F)CC1 ZINC001206311392 908819753 /nfs/dbraw/zinc/81/97/53/908819753.db2.gz NKYKHVYLDBWHRT-HNNXBMFYSA-N 2 1 394.247 3.520 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cccc4c3OCCO4)cc2)CC1 ZINC001178037471 908882032 /nfs/dbraw/zinc/88/20/32/908882032.db2.gz LTHQLHNENMIEOP-UHFFFAOYSA-N 2 1 381.520 3.848 20 0 GHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266922754 909338601 /nfs/dbraw/zinc/33/86/01/909338601.db2.gz MLGILUNIJJDIBL-HXUWFJFHSA-N 2 1 394.563 3.569 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[C@@H]2CC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000635767929 909344868 /nfs/dbraw/zinc/34/48/68/909344868.db2.gz UPKSZWSHZBORPC-RBBKRZOGSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000635767929 909344886 /nfs/dbraw/zinc/34/48/86/909344886.db2.gz UPKSZWSHZBORPC-RBBKRZOGSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000635767929 909344901 /nfs/dbraw/zinc/34/49/01/909344901.db2.gz UPKSZWSHZBORPC-RBBKRZOGSA-N 2 1 387.568 3.746 20 0 GHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC001180002332 909863543 /nfs/dbraw/zinc/86/35/43/909863543.db2.gz RTHWDPFIKMVTFH-UHFFFAOYSA-N 2 1 377.330 3.613 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2sc(C)cc2Br)C1 ZINC001180080897 909935187 /nfs/dbraw/zinc/93/51/87/909935187.db2.gz IDBMNRYKHWOECA-CQSZACIVSA-N 2 1 375.376 3.752 20 0 GHADMP CO[C@@H](C)c1cccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000637974057 910017625 /nfs/dbraw/zinc/01/76/25/910017625.db2.gz PGABSYDCOVOQMI-SFHVURJKSA-N 2 1 381.520 3.716 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1OCC ZINC000268811320 910028996 /nfs/dbraw/zinc/02/89/96/910028996.db2.gz LAXGNUQYNPHQPS-LJQANCHMSA-N 2 1 377.573 3.552 20 0 GHADMP CCN(CC)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001274451094 910067188 /nfs/dbraw/zinc/06/71/88/910067188.db2.gz KWRVRONQFWINGQ-CTNGQTDRSA-N 2 1 377.960 3.667 20 0 GHADMP Clc1ccccc1C[NH+]1CCC(NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000268917382 910069179 /nfs/dbraw/zinc/06/91/79/910069179.db2.gz VLYXMCUNBBLRPY-UHFFFAOYSA-N 2 1 391.987 3.539 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000638560823 910191867 /nfs/dbraw/zinc/19/18/67/910191867.db2.gz UTDICMJSWUXDNH-ROUUACIJSA-N 2 1 385.474 3.518 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000638707602 910216389 /nfs/dbraw/zinc/21/63/89/910216389.db2.gz JSCWMLRHWNSWEB-OAOYMFHYSA-N 2 1 380.374 3.657 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000638707602 910216406 /nfs/dbraw/zinc/21/64/06/910216406.db2.gz JSCWMLRHWNSWEB-OAOYMFHYSA-N 2 1 380.374 3.657 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639141602 910326722 /nfs/dbraw/zinc/32/67/22/910326722.db2.gz HTXATPCYAMBHNF-GOSISDBHSA-N 2 1 375.463 3.634 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639141602 910326735 /nfs/dbraw/zinc/32/67/35/910326735.db2.gz HTXATPCYAMBHNF-GOSISDBHSA-N 2 1 375.463 3.634 20 0 GHADMP CS(=O)(=O)CC1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639213681 910352725 /nfs/dbraw/zinc/35/27/25/910352725.db2.gz KOYXHTVEYMBMEN-XHXISMBCSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639213681 910352741 /nfs/dbraw/zinc/35/27/41/910352741.db2.gz KOYXHTVEYMBMEN-XHXISMBCSA-N 2 1 390.593 3.548 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639244420 910363642 /nfs/dbraw/zinc/36/36/42/910363642.db2.gz ILJKFZDAVDILSG-YDLSIGKMSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639244420 910363645 /nfs/dbraw/zinc/36/36/45/910363645.db2.gz ILJKFZDAVDILSG-YDLSIGKMSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639244418 910363707 /nfs/dbraw/zinc/36/37/07/910363707.db2.gz ILJKFZDAVDILSG-NNLJWKLDSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639244418 910363718 /nfs/dbraw/zinc/36/37/18/910363718.db2.gz ILJKFZDAVDILSG-NNLJWKLDSA-N 2 1 380.536 3.598 20 0 GHADMP COCc1noc([C@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000639727646 910637048 /nfs/dbraw/zinc/63/70/48/910637048.db2.gz WEMRETQWBHFOBH-SFHVURJKSA-N 2 1 384.524 3.655 20 0 GHADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757161 910649289 /nfs/dbraw/zinc/64/92/89/910649289.db2.gz HUOLWEFTAJRCNR-KRWDZBQOSA-N 2 1 390.597 3.615 20 0 GHADMP CCn1cccc(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC001181322257 910710104 /nfs/dbraw/zinc/71/01/04/910710104.db2.gz CZSOAZPFUKFRCY-DEOSSOPVSA-N 2 1 381.564 3.896 20 0 GHADMP Cc1ccc(OC(F)F)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271187307 910810175 /nfs/dbraw/zinc/81/01/75/910810175.db2.gz DZSGRFHZLVVHQI-UHFFFAOYSA-N 2 1 381.511 3.587 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001181865543 911047454 /nfs/dbraw/zinc/04/74/54/911047454.db2.gz YEZGVCURIYLVHB-GOTSBHOMSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001181865543 911047469 /nfs/dbraw/zinc/04/74/69/911047469.db2.gz YEZGVCURIYLVHB-GOTSBHOMSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001181865543 911047487 /nfs/dbraw/zinc/04/74/87/911047487.db2.gz YEZGVCURIYLVHB-GOTSBHOMSA-N 2 1 385.596 3.869 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(Br)ncc1F ZINC000273868586 911071779 /nfs/dbraw/zinc/07/17/79/911071779.db2.gz NTXIEDSPWOQSKF-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000640614080 911086826 /nfs/dbraw/zinc/08/68/26/911086826.db2.gz JTRFYNZEPBBVMX-UHFFFAOYSA-N 2 1 395.551 3.519 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000640614080 911086851 /nfs/dbraw/zinc/08/68/51/911086851.db2.gz JTRFYNZEPBBVMX-UHFFFAOYSA-N 2 1 395.551 3.519 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926673 921634919 /nfs/dbraw/zinc/63/49/19/921634919.db2.gz YOYHGTALFVNAMS-QUCCMNQESA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926673 921634927 /nfs/dbraw/zinc/63/49/27/921634927.db2.gz YOYHGTALFVNAMS-QUCCMNQESA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926673 921634940 /nfs/dbraw/zinc/63/49/40/921634940.db2.gz YOYHGTALFVNAMS-QUCCMNQESA-N 2 1 379.589 3.687 20 0 GHADMP [NH3+]C1CC[NH+](CCc2cn(CCCCc3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000641140825 911337546 /nfs/dbraw/zinc/33/75/46/911337546.db2.gz AHYRLTLZHKEIJL-UHFFFAOYSA-N 2 1 396.366 3.573 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001182317368 911446802 /nfs/dbraw/zinc/44/68/02/911446802.db2.gz PHEYXWFWKZQPQB-BJKOFHAPSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001182317368 911446810 /nfs/dbraw/zinc/44/68/10/911446810.db2.gz PHEYXWFWKZQPQB-BJKOFHAPSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001182317368 911446815 /nfs/dbraw/zinc/44/68/15/911446815.db2.gz PHEYXWFWKZQPQB-BJKOFHAPSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001182317368 911446818 /nfs/dbraw/zinc/44/68/18/911446818.db2.gz PHEYXWFWKZQPQB-BJKOFHAPSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC001182339904 911508350 /nfs/dbraw/zinc/50/83/50/911508350.db2.gz CCOJDJIAIPYBJS-HSZRJFAPSA-N 2 1 379.548 3.585 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641857918 911552389 /nfs/dbraw/zinc/55/23/89/911552389.db2.gz LGEGJHIGRMUORU-OAHLLOKOSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641857918 911552395 /nfs/dbraw/zinc/55/23/95/911552395.db2.gz LGEGJHIGRMUORU-OAHLLOKOSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001182936535 912165300 /nfs/dbraw/zinc/16/53/00/912165300.db2.gz CRZCOCPEUIYGLD-QHCPKHFHSA-N 2 1 379.548 3.630 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001182936535 912165306 /nfs/dbraw/zinc/16/53/06/912165306.db2.gz CRZCOCPEUIYGLD-QHCPKHFHSA-N 2 1 379.548 3.630 20 0 GHADMP C[N@H+]1C[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249198 915105277 /nfs/dbraw/zinc/10/52/77/915105277.db2.gz IULWTCBAMVMWEP-NOZRDPDXSA-N 2 1 377.576 3.629 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc3ccc(Br)cn23)[C@H](c2ccccc2)C1 ZINC000647249013 915105862 /nfs/dbraw/zinc/10/58/62/915105862.db2.gz XMDTVDFKLNLKRE-APWZRJJASA-N 2 1 399.336 3.532 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1 ZINC001187290211 915155279 /nfs/dbraw/zinc/15/52/79/915155279.db2.gz ZQAFXVHWKAWUHB-DEOSSOPVSA-N 2 1 395.522 3.768 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1 ZINC001187290211 915155287 /nfs/dbraw/zinc/15/52/87/915155287.db2.gz ZQAFXVHWKAWUHB-DEOSSOPVSA-N 2 1 395.522 3.768 20 0 GHADMP CCCOc1c(Br)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482945 915296382 /nfs/dbraw/zinc/29/63/82/915296382.db2.gz LYTRZDCGUOUJJA-UHFFFAOYSA-N 2 1 397.357 3.963 20 0 GHADMP CCCOc1c(Br)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482945 915296397 /nfs/dbraw/zinc/29/63/97/915296397.db2.gz LYTRZDCGUOUJJA-UHFFFAOYSA-N 2 1 397.357 3.963 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000647986943 915465393 /nfs/dbraw/zinc/46/53/93/915465393.db2.gz ZMAXOHLYVMJKOM-HUUCEWRRSA-N 2 1 380.414 3.577 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H]2CNc3ccnn3C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000648039846 915494289 /nfs/dbraw/zinc/49/42/89/915494289.db2.gz WTTYABGLNYEIRQ-REWPJTCUSA-N 2 1 393.579 3.547 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000648824828 915894715 /nfs/dbraw/zinc/89/47/15/915894715.db2.gz IOSQYACLGATJQE-KCESLBEFSA-N 2 1 382.552 3.669 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000648824828 915894726 /nfs/dbraw/zinc/89/47/26/915894726.db2.gz IOSQYACLGATJQE-KCESLBEFSA-N 2 1 382.552 3.669 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000649101053 916021070 /nfs/dbraw/zinc/02/10/70/916021070.db2.gz JSTKTPSZRLFFDQ-PKTZIBPZSA-N 2 1 379.548 3.604 20 0 GHADMP c1nc(C2OCCO2)sc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293968547 916502163 /nfs/dbraw/zinc/50/21/63/916502163.db2.gz QKNBYAGCVXMZEG-UHFFFAOYSA-N 2 1 399.560 3.677 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000650678942 917227670 /nfs/dbraw/zinc/22/76/70/917227670.db2.gz ZHFCKLQRFXJUBO-UHFFFAOYSA-N 2 1 393.516 3.708 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(OCCC)c1 ZINC000650706910 917244329 /nfs/dbraw/zinc/24/43/29/917244329.db2.gz VMOZKSRWHPOWIB-CZTZKLFOSA-N 2 1 390.568 3.983 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c(Cl)c2)C1 ZINC000650723159 917250377 /nfs/dbraw/zinc/25/03/77/917250377.db2.gz ICPHZRFSLKPPLF-XYPHTWIQSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c(Cl)c2)C1 ZINC000650723159 917250389 /nfs/dbraw/zinc/25/03/89/917250389.db2.gz ICPHZRFSLKPPLF-XYPHTWIQSA-N 2 1 387.749 3.963 20 0 GHADMP O=C1O[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444233 917335955 /nfs/dbraw/zinc/33/59/55/917335955.db2.gz LNHMNSXVXQYPLN-ISKFKSNPSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444233 917335961 /nfs/dbraw/zinc/33/59/61/917335961.db2.gz LNHMNSXVXQYPLN-ISKFKSNPSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444233 917335974 /nfs/dbraw/zinc/33/59/74/917335974.db2.gz LNHMNSXVXQYPLN-ISKFKSNPSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444233 917335986 /nfs/dbraw/zinc/33/59/86/917335986.db2.gz LNHMNSXVXQYPLN-ISKFKSNPSA-N 2 1 391.515 3.610 20 0 GHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345717 917877570 /nfs/dbraw/zinc/87/75/70/917877570.db2.gz KBYSLPDONKHHAB-VNYTWHDVSA-N 2 1 387.568 3.664 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(CCc3ccccc3)n2)C1 ZINC000652363648 917884814 /nfs/dbraw/zinc/88/48/14/917884814.db2.gz KMRWBMSHRNLADW-HLAWJBBLSA-N 2 1 385.577 3.789 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(CCc3ccccc3)n2)C1 ZINC000652363648 917884821 /nfs/dbraw/zinc/88/48/21/917884821.db2.gz KMRWBMSHRNLADW-HLAWJBBLSA-N 2 1 385.577 3.789 20 0 GHADMP C[C@H]([N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1(C)CC1 ZINC001191464499 918030881 /nfs/dbraw/zinc/03/08/81/918030881.db2.gz LVOKNMKJVQQBIH-QFBILLFUSA-N 2 1 377.960 3.714 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653573146 918318744 /nfs/dbraw/zinc/31/87/44/918318744.db2.gz VGKZFSFQFLCBQD-KRWDZBQOSA-N 2 1 381.307 3.763 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653573146 918318753 /nfs/dbraw/zinc/31/87/53/918318753.db2.gz VGKZFSFQFLCBQD-KRWDZBQOSA-N 2 1 381.307 3.763 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)ccc1OCc1ccncc1 ZINC000653600589 918345626 /nfs/dbraw/zinc/34/56/26/918345626.db2.gz IFABPSLGYCZYIP-QGZVFWFLSA-N 2 1 380.492 3.686 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000363619120 918539756 /nfs/dbraw/zinc/53/97/56/918539756.db2.gz KILZZKYVDCMBIG-PZJWPPBQSA-N 2 1 379.504 3.664 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000363619120 918539765 /nfs/dbraw/zinc/53/97/65/918539765.db2.gz KILZZKYVDCMBIG-PZJWPPBQSA-N 2 1 379.504 3.664 20 0 GHADMP C[NH+](Cc1cc(C[N@@H+](C)C[C@H]2CCCOC2)ccc1F)C[C@@H]1CCCOC1 ZINC000297378695 919279974 /nfs/dbraw/zinc/27/99/74/919279974.db2.gz DFVYNVWSPWGCPQ-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C[C@@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000297378695 919279984 /nfs/dbraw/zinc/27/99/84/919279984.db2.gz DFVYNVWSPWGCPQ-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000297378695 919279996 /nfs/dbraw/zinc/27/99/96/919279996.db2.gz DFVYNVWSPWGCPQ-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000381956740 919716904 /nfs/dbraw/zinc/71/69/04/919716904.db2.gz FOKLCSYNKGSNSX-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP Cn1cc(-c2ncc(C[NH2+]Cc3cccc(C[NH+]4CCCCCC4)c3)cn2)cn1 ZINC000365429542 920777538 /nfs/dbraw/zinc/77/75/38/920777538.db2.gz OBOYGJFTTLIFHE-UHFFFAOYSA-N 2 1 390.535 3.543 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000367289917 922017578 /nfs/dbraw/zinc/01/75/78/922017578.db2.gz DLORKSOGKZACRX-SFHVURJKSA-N 2 1 375.900 3.679 20 0 GHADMP Fc1ccccc1[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCOCC1 ZINC000903057609 922735362 /nfs/dbraw/zinc/73/53/62/922735362.db2.gz DMMASLUAPRIRBJ-DEOSSOPVSA-N 2 1 398.522 3.915 20 0 GHADMP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1C(F)(F)F ZINC000903124358 922792311 /nfs/dbraw/zinc/79/23/11/922792311.db2.gz GIBAOGUFSUNQJN-DJXYKJKZSA-N 2 1 382.470 3.604 20 0 GHADMP Cn1cc(-c2cc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)on2)cn1 ZINC000368652709 922794331 /nfs/dbraw/zinc/79/43/31/922794331.db2.gz MLCHTAIGISSFFA-UHFFFAOYSA-N 2 1 391.519 3.563 20 0 GHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000903127990 922796437 /nfs/dbraw/zinc/79/64/37/922796437.db2.gz PNWYCXOECBETQC-RMLGXXCHSA-N 2 1 379.552 3.702 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903187419 922841695 /nfs/dbraw/zinc/84/16/95/922841695.db2.gz SYDSMXCXRBEZSV-CBRIZSKPSA-N 2 1 377.573 3.914 20 0 GHADMP O[C@H]1C[C@](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)(c2ccccc2)C1 ZINC000903271253 922896940 /nfs/dbraw/zinc/89/69/40/922896940.db2.gz KZYWZLDODFVTFX-WXFUMESZSA-N 2 1 376.544 3.866 20 0 GHADMP O[C@H]1C[C@](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)(c2ccccc2)C1 ZINC000903271253 922896954 /nfs/dbraw/zinc/89/69/54/922896954.db2.gz KZYWZLDODFVTFX-WXFUMESZSA-N 2 1 376.544 3.866 20 0 GHADMP C[NH+](C)CC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC000903379977 922977884 /nfs/dbraw/zinc/97/78/84/922977884.db2.gz JKOZAGBMQQRNOT-XQUALCHDSA-N 2 1 378.564 3.860 20 0 GHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903740154 923242988 /nfs/dbraw/zinc/24/29/88/923242988.db2.gz SIKKHOQOGDQNFJ-PMACEKPBSA-N 2 1 396.579 3.955 20 0 GHADMP Cc1c(F)cccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370198726 923951456 /nfs/dbraw/zinc/95/14/56/923951456.db2.gz UQQYOEOUNFVRLL-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(OC)c1O ZINC000370672748 924249512 /nfs/dbraw/zinc/24/95/12/924249512.db2.gz HHRZMNCDQPTRGG-HNAYVOBHSA-N 2 1 376.522 3.644 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(OC)c1O ZINC000370672748 924249519 /nfs/dbraw/zinc/24/95/19/924249519.db2.gz HHRZMNCDQPTRGG-HNAYVOBHSA-N 2 1 376.522 3.644 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)s2)cc1 ZINC000370702733 924265362 /nfs/dbraw/zinc/26/53/62/924265362.db2.gz RBJUFMWJALVZAV-WIYYLYMNSA-N 2 1 384.593 3.576 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)s2)cc1 ZINC000370702733 924265370 /nfs/dbraw/zinc/26/53/70/924265370.db2.gz RBJUFMWJALVZAV-WIYYLYMNSA-N 2 1 384.593 3.576 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000677476887 924374145 /nfs/dbraw/zinc/37/41/45/924374145.db2.gz JENBKYGWFBVLNF-PKTZIBPZSA-N 2 1 392.547 3.700 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000677476887 924374148 /nfs/dbraw/zinc/37/41/48/924374148.db2.gz JENBKYGWFBVLNF-PKTZIBPZSA-N 2 1 392.547 3.700 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)n2c1 ZINC001137307670 924450887 /nfs/dbraw/zinc/45/08/87/924450887.db2.gz KDWPJTWTYBTEIW-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1[nH]c(C)cc1C)CC2 ZINC001137324230 924678131 /nfs/dbraw/zinc/67/81/31/924678131.db2.gz OVSFCMWTEDCARU-GOSISDBHSA-N 2 1 388.581 3.591 20 0 GHADMP CC[N@H+](Cc1ccccc1-n1cncn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000678287813 924707167 /nfs/dbraw/zinc/70/71/67/924707167.db2.gz KTBHGLXHHSYTRZ-OAQYLSRUSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](Cc1ccccc1-n1cncn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000678287813 924707180 /nfs/dbraw/zinc/70/71/80/924707180.db2.gz KTBHGLXHHSYTRZ-OAQYLSRUSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](Cc1ccccc1-n1cncn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000678287813 924707187 /nfs/dbraw/zinc/70/71/87/924707187.db2.gz KTBHGLXHHSYTRZ-OAQYLSRUSA-N 2 1 375.520 3.611 20 0 GHADMP CC[N@H+](Cc1ccccc1-n1cncn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000678287811 924707899 /nfs/dbraw/zinc/70/78/99/924707899.db2.gz KTBHGLXHHSYTRZ-NRFANRHFSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](Cc1ccccc1-n1cncn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000678287811 924707902 /nfs/dbraw/zinc/70/79/02/924707902.db2.gz KTBHGLXHHSYTRZ-NRFANRHFSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](Cc1ccccc1-n1cncn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000678287811 924707907 /nfs/dbraw/zinc/70/79/07/924707907.db2.gz KTBHGLXHHSYTRZ-NRFANRHFSA-N 2 1 375.520 3.611 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000679042657 925007831 /nfs/dbraw/zinc/00/78/31/925007831.db2.gz CDBLXIFWZGURTM-SDUSCBPUSA-N 2 1 399.623 3.646 20 0 GHADMP C[C@H]1C[C@H](Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CC[N@H+]1C ZINC000679091980 925026069 /nfs/dbraw/zinc/02/60/69/925026069.db2.gz OGMFYBMCHGIUGV-XUZZJYLKSA-N 2 1 392.591 3.946 20 0 GHADMP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000679333915 925098131 /nfs/dbraw/zinc/09/81/31/925098131.db2.gz WEWXFFVNQXCEQV-MNEFBYGVSA-N 2 1 381.358 3.991 20 0 GHADMP CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH]1 ZINC001137375093 925145621 /nfs/dbraw/zinc/14/56/21/925145621.db2.gz JFRVWWGFCUIXII-UHFFFAOYSA-N 2 1 396.579 3.822 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001137389698 925277069 /nfs/dbraw/zinc/27/70/69/925277069.db2.gz ASBFNVRPBJOOAO-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001137389698 925277071 /nfs/dbraw/zinc/27/70/71/925277071.db2.gz ASBFNVRPBJOOAO-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001137389698 925277078 /nfs/dbraw/zinc/27/70/78/925277078.db2.gz ASBFNVRPBJOOAO-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)NCc1cccs1 ZINC000680038518 925338666 /nfs/dbraw/zinc/33/86/66/925338666.db2.gz NIXCDRITVZKUPW-RGMHLJPOSA-N 2 1 397.588 3.643 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000410368024 925589431 /nfs/dbraw/zinc/58/94/31/925589431.db2.gz SNGWPEVJESZNOA-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000410368024 925589438 /nfs/dbraw/zinc/58/94/38/925589438.db2.gz SNGWPEVJESZNOA-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000410368024 925589442 /nfs/dbraw/zinc/58/94/42/925589442.db2.gz SNGWPEVJESZNOA-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000410394210 925608951 /nfs/dbraw/zinc/60/89/51/925608951.db2.gz VWEYRUSBVHCBIA-QFIPXVFZSA-N 2 1 388.600 3.837 20 0 GHADMP Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)n2C ZINC000681117077 925729054 /nfs/dbraw/zinc/72/90/54/925729054.db2.gz JTTQXIKWQKFZNG-UHFFFAOYSA-N 2 1 378.520 3.646 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000682108905 926015308 /nfs/dbraw/zinc/01/53/08/926015308.db2.gz HAZPLFKWCKTNHC-NRFANRHFSA-N 2 1 394.563 3.824 20 0 GHADMP O=C(OCc1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)[nH]1 ZINC000827948618 926372893 /nfs/dbraw/zinc/37/28/93/926372893.db2.gz IESRPCVUJICDNT-HXUWFJFHSA-N 2 1 381.520 3.583 20 0 GHADMP O=C(OCc1ccccc1)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000827948618 926372901 /nfs/dbraw/zinc/37/29/01/926372901.db2.gz IESRPCVUJICDNT-HXUWFJFHSA-N 2 1 381.520 3.583 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750239637 927510210 /nfs/dbraw/zinc/51/02/10/927510210.db2.gz MXUYWPHDBFRGAN-HSZRJFAPSA-N 2 1 397.538 3.900 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000750239637 927510221 /nfs/dbraw/zinc/51/02/21/927510221.db2.gz MXUYWPHDBFRGAN-HSZRJFAPSA-N 2 1 397.538 3.900 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1)C2 ZINC000374904471 927680670 /nfs/dbraw/zinc/68/06/70/927680670.db2.gz VFLNILRICDWDFO-KRIYCRJKSA-N 2 1 389.971 3.712 20 0 GHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000467347694 928982317 /nfs/dbraw/zinc/98/23/17/928982317.db2.gz BOGPDLPKVPELMX-IIBYNOLFSA-N 2 1 392.465 3.993 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000544348533 929080645 /nfs/dbraw/zinc/08/06/45/929080645.db2.gz NHJKAEUNIAQPNU-RTBURBONSA-N 2 1 375.520 3.671 20 0 GHADMP CC[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000544680887 929437300 /nfs/dbraw/zinc/43/73/00/929437300.db2.gz MJBKCFWJWPOBTQ-JOCHJYFZSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1 ZINC000467840237 929492291 /nfs/dbraw/zinc/49/22/91/929492291.db2.gz TXPAWFDDPLVKED-OAQYLSRUSA-N 2 1 385.939 3.969 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000469481339 929928471 /nfs/dbraw/zinc/92/84/71/929928471.db2.gz GVQOBLYCDFRSLI-QAPCUYQASA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000469481339 929928474 /nfs/dbraw/zinc/92/84/74/929928474.db2.gz GVQOBLYCDFRSLI-QAPCUYQASA-N 2 1 385.474 3.641 20 0 GHADMP CN(C)Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000469484712 929929985 /nfs/dbraw/zinc/92/99/85/929929985.db2.gz XKZCLOTVDKUTSA-GOSISDBHSA-N 2 1 390.325 3.752 20 0 GHADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000469736593 930124410 /nfs/dbraw/zinc/12/44/10/930124410.db2.gz XCTXYNBISQPVEJ-DYXWJJEUSA-N 2 1 383.561 3.522 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000469736593 930124412 /nfs/dbraw/zinc/12/44/12/930124412.db2.gz XCTXYNBISQPVEJ-DYXWJJEUSA-N 2 1 383.561 3.522 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000469736593 930124415 /nfs/dbraw/zinc/12/44/15/930124415.db2.gz XCTXYNBISQPVEJ-DYXWJJEUSA-N 2 1 383.561 3.522 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000469736593 930124419 /nfs/dbraw/zinc/12/44/19/930124419.db2.gz XCTXYNBISQPVEJ-DYXWJJEUSA-N 2 1 383.561 3.522 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2Br)s1 ZINC000546574202 930272757 /nfs/dbraw/zinc/27/27/57/930272757.db2.gz GKPOYIBAJLJBSC-ACJLOTCBSA-N 2 1 395.366 3.895 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000469980959 930292744 /nfs/dbraw/zinc/29/27/44/930292744.db2.gz HKOVEYZVHFYEOO-RBUKOAKNSA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000469980959 930292746 /nfs/dbraw/zinc/29/27/46/930292746.db2.gz HKOVEYZVHFYEOO-RBUKOAKNSA-N 2 1 397.485 3.783 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000469989709 930298589 /nfs/dbraw/zinc/29/85/89/930298589.db2.gz DIGPDLNXUIVZNS-DZGCQCFKSA-N 2 1 377.330 3.502 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000546737410 930391323 /nfs/dbraw/zinc/39/13/23/930391323.db2.gz VECBLXAPWWGWLL-IBGZPJMESA-N 2 1 397.485 3.863 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H](Cc3ccc(Cl)cc3)C(N)=O)cc2)C1 ZINC000546887686 930511413 /nfs/dbraw/zinc/51/14/13/930511413.db2.gz DJWGKANDCQYMCJ-JTSKRJEESA-N 2 1 399.966 3.758 20 0 GHADMP C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780881444 930625886 /nfs/dbraw/zinc/62/58/86/930625886.db2.gz CWBBEAGIXGZCGY-IFMALSPDSA-N 2 1 378.564 3.761 20 0 GHADMP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000924529932 931411558 /nfs/dbraw/zinc/41/15/58/931411558.db2.gz UDDWVODHMWTTPR-GAJHUEQPSA-N 2 1 383.511 3.646 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(C(C)(C)O)cc1 ZINC000924777538 931534391 /nfs/dbraw/zinc/53/43/91/931534391.db2.gz QJDYLWLJIDENIZ-RTBURBONSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C(C)(C)O)cc1 ZINC000924777538 931534395 /nfs/dbraw/zinc/53/43/95/931534395.db2.gz QJDYLWLJIDENIZ-RTBURBONSA-N 2 1 382.548 3.986 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(C[NH+](C)C)c3)CC2)oc1C ZINC000925039262 931621377 /nfs/dbraw/zinc/62/13/77/931621377.db2.gz XLYUJBBSAFBMKV-GOSISDBHSA-N 3 1 384.568 3.916 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000557762342 931666505 /nfs/dbraw/zinc/66/65/05/931666505.db2.gz OCBAZHIMLMPSBO-JOCHJYFZSA-N 2 1 398.551 3.580 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000925781662 931901383 /nfs/dbraw/zinc/90/13/83/931901383.db2.gz JFCMIQUKHQRRSG-UAGQMJEPSA-N 2 1 386.458 3.669 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccnc2)cc1 ZINC000926128218 932058707 /nfs/dbraw/zinc/05/87/07/932058707.db2.gz ZUHONVWPFQWMDW-DQEYMECFSA-N 2 1 387.527 3.836 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC34CCOCC4)cc2)C[C@H]1C ZINC000558622782 932117009 /nfs/dbraw/zinc/11/70/09/932117009.db2.gz KXESCRIZRNIZCY-ZRCGQRJVSA-N 2 1 386.580 3.745 20 0 GHADMP CSC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+](C)CC1 ZINC000926447384 932187986 /nfs/dbraw/zinc/18/79/86/932187986.db2.gz BRTHBJOBQBHRFW-FRIKZZABSA-N 3 1 387.637 3.989 20 0 GHADMP CSC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC[NH+](C)CC1 ZINC000926447384 932187990 /nfs/dbraw/zinc/18/79/90/932187990.db2.gz BRTHBJOBQBHRFW-FRIKZZABSA-N 2 1 387.637 3.989 20 0 GHADMP FC(F)(F)[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cncn1 ZINC000926784329 932305836 /nfs/dbraw/zinc/30/58/36/932305836.db2.gz DNQALKSYPNGNDO-IPQPSQTFSA-N 2 1 393.457 3.557 20 0 GHADMP FC(F)(F)[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cncn1 ZINC000926784329 932305846 /nfs/dbraw/zinc/30/58/46/932305846.db2.gz DNQALKSYPNGNDO-IPQPSQTFSA-N 2 1 393.457 3.557 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000798525739 932690027 /nfs/dbraw/zinc/69/00/27/932690027.db2.gz CPSCLZOIKZRBIY-JTHBVZDNSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000798525739 932690032 /nfs/dbraw/zinc/69/00/32/932690032.db2.gz CPSCLZOIKZRBIY-JTHBVZDNSA-N 2 1 399.966 3.971 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@H]1c1ccccc1 ZINC000559766345 932843359 /nfs/dbraw/zinc/84/33/59/932843359.db2.gz CRXQLJSJDPCYHQ-GMAHTHKFSA-N 2 1 378.495 3.979 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@H]1c1ccccc1 ZINC000559766345 932843364 /nfs/dbraw/zinc/84/33/64/932843364.db2.gz CRXQLJSJDPCYHQ-GMAHTHKFSA-N 2 1 378.495 3.979 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)CC1 ZINC000799179160 932901670 /nfs/dbraw/zinc/90/16/70/932901670.db2.gz DXZQUEYNOHSWNX-FQEVSTJZSA-N 2 1 391.559 3.963 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000559920918 932955725 /nfs/dbraw/zinc/95/57/25/932955725.db2.gz BFVRQHINVQQGMZ-KXTRFFEISA-N 2 1 391.559 3.820 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000560049514 933035506 /nfs/dbraw/zinc/03/55/06/933035506.db2.gz WZQIBSMKRWHQRC-QGZVFWFLSA-N 2 1 379.957 3.790 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000560546302 933331264 /nfs/dbraw/zinc/33/12/64/933331264.db2.gz YMXPVZNCYLJAMQ-WSTZPKSXSA-N 2 1 393.531 3.969 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)cc1F ZINC000560860937 933627565 /nfs/dbraw/zinc/62/75/65/933627565.db2.gz YJKUCGOQUYWVDI-FQEVSTJZSA-N 2 1 397.494 3.775 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(-c4ccccc4)o3)CC2)CC1 ZINC000929807722 933641825 /nfs/dbraw/zinc/64/18/25/933641825.db2.gz YPNLLNTYAQKRHQ-UHFFFAOYSA-N 2 1 396.579 3.970 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000929890535 933693369 /nfs/dbraw/zinc/69/33/69/933693369.db2.gz YRJUDUUSRSYLNM-JOCHJYFZSA-N 2 1 398.595 3.911 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000929890536 933693559 /nfs/dbraw/zinc/69/35/59/933693559.db2.gz YRJUDUUSRSYLNM-QFIPXVFZSA-N 2 1 398.595 3.911 20 0 GHADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(C)nnc2C)cc1 ZINC000930181286 933880474 /nfs/dbraw/zinc/88/04/74/933880474.db2.gz DOLQOBFKNGGZMH-UHFFFAOYSA-N 2 1 379.508 3.781 20 0 GHADMP CCOc1ccc(CN(CCCn2ccnc2)Cc2cc(C)nnc2C)cc1 ZINC000930181286 933880480 /nfs/dbraw/zinc/88/04/80/933880480.db2.gz DOLQOBFKNGGZMH-UHFFFAOYSA-N 2 1 379.508 3.781 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC001117438648 933938871 /nfs/dbraw/zinc/93/88/71/933938871.db2.gz KDZRPJFYQMZZLW-JJCGOBCMSA-N 2 1 398.526 3.562 20 0 GHADMP O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000561273680 934008432 /nfs/dbraw/zinc/00/84/32/934008432.db2.gz KWXFUNNLHVJQQK-MRXNPFEDSA-N 2 1 382.483 3.827 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)c2)cc1 ZINC000561396241 934116607 /nfs/dbraw/zinc/11/66/07/934116607.db2.gz XOUXINXOTACEKH-REWPJTCUSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2)cc1 ZINC000561396241 934116611 /nfs/dbraw/zinc/11/66/11/934116611.db2.gz XOUXINXOTACEKH-REWPJTCUSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2)cc1 ZINC000561396241 934116617 /nfs/dbraw/zinc/11/66/17/934116617.db2.gz XOUXINXOTACEKH-REWPJTCUSA-N 2 1 393.531 3.864 20 0 GHADMP CC1(C)C[N@@H+](Cc2[nH]nc3c2COCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931083367 934367330 /nfs/dbraw/zinc/36/73/30/934367330.db2.gz JZRMPLUJGGTNIY-HSZRJFAPSA-N 2 1 394.563 3.605 20 0 GHADMP CC(=O)c1ccccc1OCCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562060153 934665839 /nfs/dbraw/zinc/66/58/39/934665839.db2.gz PCBNEXIGMYKRJX-FGZHOGPDSA-N 2 1 378.516 3.722 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000562174110 934743904 /nfs/dbraw/zinc/74/39/04/934743904.db2.gz DDRPIPMOFRHIRS-UXHICEINSA-N 2 1 386.584 3.826 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000562174110 934743906 /nfs/dbraw/zinc/74/39/06/934743906.db2.gz DDRPIPMOFRHIRS-UXHICEINSA-N 2 1 386.584 3.826 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1F ZINC001137674703 935697404 /nfs/dbraw/zinc/69/74/04/935697404.db2.gz DLKSSVSLJKVCLO-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP COC(=O)c1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001137792990 935792643 /nfs/dbraw/zinc/79/26/43/935792643.db2.gz WLVHFXXRYYYOPA-LEWJYISDSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001137792990 935792652 /nfs/dbraw/zinc/79/26/52/935792652.db2.gz WLVHFXXRYYYOPA-LEWJYISDSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001137792990 935792653 /nfs/dbraw/zinc/79/26/53/935792653.db2.gz WLVHFXXRYYYOPA-LEWJYISDSA-N 2 1 378.516 3.817 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC001138007656 935923061 /nfs/dbraw/zinc/92/30/61/935923061.db2.gz RPLATQDDDWNGED-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001138007656 935923063 /nfs/dbraw/zinc/92/30/63/935923063.db2.gz RPLATQDDDWNGED-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001138007656 935923064 /nfs/dbraw/zinc/92/30/64/935923064.db2.gz RPLATQDDDWNGED-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001625778271 1014150601 /nfs/dbraw/zinc/15/06/01/1014150601.db2.gz KRYQIPOQNATVTH-QHCPKHFHSA-N 2 1 381.564 3.736 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001625778271 1014150606 /nfs/dbraw/zinc/15/06/06/1014150606.db2.gz KRYQIPOQNATVTH-QHCPKHFHSA-N 2 1 381.564 3.736 20 0 GHADMP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001220723588 1032084840 /nfs/dbraw/zinc/08/48/40/1032084840.db2.gz PWZITKQARRUUHE-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001220723588 1032084854 /nfs/dbraw/zinc/08/48/54/1032084854.db2.gz PWZITKQARRUUHE-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NCc2c[nH+]ccc2N(C)C)c1 ZINC000545349619 1015798083 /nfs/dbraw/zinc/79/80/83/1015798083.db2.gz BWRCAWSZKCFONZ-INIZCTEOSA-N 2 1 399.514 3.712 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)CC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000468919381 1016219376 /nfs/dbraw/zinc/21/93/76/1016219376.db2.gz JUPNCPMLQAFNBG-GOSISDBHSA-N 2 1 385.474 3.643 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]21 ZINC000469869775 1016650991 /nfs/dbraw/zinc/65/09/91/1016650991.db2.gz GMPXWDYXAKPQSW-YRGRVCCFSA-N 2 1 375.257 3.610 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]21 ZINC000469869775 1016651002 /nfs/dbraw/zinc/65/10/02/1016651002.db2.gz GMPXWDYXAKPQSW-YRGRVCCFSA-N 2 1 375.257 3.610 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924695284 1017004091 /nfs/dbraw/zinc/00/40/91/1017004091.db2.gz QOHYEIXZKJXMJX-IBGZPJMESA-N 2 1 381.568 3.596 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+](C)C(C)(C)CC3)cc2)CC1 ZINC001220873773 1032164682 /nfs/dbraw/zinc/16/46/82/1032164682.db2.gz DYZOBXAUJVBJIW-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP CC1(C)CC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC001227383621 1032398206 /nfs/dbraw/zinc/39/82/06/1032398206.db2.gz OHCNVUKYGPYPSK-UHFFFAOYSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221472548 1032429429 /nfs/dbraw/zinc/42/94/29/1032429429.db2.gz NZQQVVFHQUEGHL-ZFQANFLFSA-N 2 1 384.568 3.528 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001221537096 1032452795 /nfs/dbraw/zinc/45/27/95/1032452795.db2.gz INOAVTDGALTRKG-PTUXOGIPSA-N 2 1 394.563 3.560 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001204171241 1032620884 /nfs/dbraw/zinc/62/08/84/1032620884.db2.gz IKJVMVRJVDFIRQ-HSZRJFAPSA-N 2 1 386.580 3.725 20 0 GHADMP CCS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000926909333 1017324339 /nfs/dbraw/zinc/32/43/39/1017324339.db2.gz OHFGJQLJZWURLY-WIYYLYMNSA-N 2 1 392.609 3.655 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](c4nccn4C)C3)cs2)cc1OC ZINC000559542471 1017466396 /nfs/dbraw/zinc/46/63/96/1017466396.db2.gz VKLRMARGDKNQBN-INIZCTEOSA-N 2 1 398.532 3.940 20 0 GHADMP CCOc1ccc(-c2nc(CN3CC[C@H](c4nccn4C)C3)cs2)cc1OC ZINC000559542471 1017466403 /nfs/dbraw/zinc/46/64/03/1017466403.db2.gz VKLRMARGDKNQBN-INIZCTEOSA-N 2 1 398.532 3.940 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000929773004 1017741863 /nfs/dbraw/zinc/74/18/63/1017741863.db2.gz WLGYRWKUPJFKHE-UHFFFAOYSA-N 2 1 381.524 3.757 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000561979875 1017996716 /nfs/dbraw/zinc/99/67/16/1017996716.db2.gz ICSSQDAVQYYDPX-IAGOWNOFSA-N 2 1 382.495 3.714 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C3CC[NH+](CCCc4c[nH+]cn4C)CC3)c2c1 ZINC000932414429 1018278218 /nfs/dbraw/zinc/27/82/18/1018278218.db2.gz DZPTXYJDAQVEED-UHFFFAOYSA-N 2 1 380.492 3.500 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000563618449 1018935820 /nfs/dbraw/zinc/93/58/20/1018935820.db2.gz USAXNARAJVQJLU-UXHICEINSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000563618449 1018935827 /nfs/dbraw/zinc/93/58/27/1018935827.db2.gz USAXNARAJVQJLU-UXHICEINSA-N 2 1 388.577 3.606 20 0 GHADMP C[C@H](C[NH+](C)C)Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001155922581 1032795805 /nfs/dbraw/zinc/79/58/05/1032795805.db2.gz WUNMAPVGMAMVHL-HUUCEWRRSA-N 2 1 387.597 3.774 20 0 GHADMP C[NH+](C)[C@H]1CCOc2c(Nc3cccc(CC[NH+]4CCOCC4)c3)cccc21 ZINC001204397624 1032824023 /nfs/dbraw/zinc/82/40/23/1032824023.db2.gz OPESKADKAOAPNE-QFIPXVFZSA-N 2 1 381.520 3.690 20 0 GHADMP COc1ccc(C[C@H]([NH2+]CCCc2c[nH+]cn2C)c2ccccc2)cc1OC ZINC000579138857 1020389053 /nfs/dbraw/zinc/38/90/53/1020389053.db2.gz YIVSRQSLUXYILZ-NRFANRHFSA-N 2 1 379.504 3.944 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204489429 1032922471 /nfs/dbraw/zinc/92/24/71/1032922471.db2.gz KFZKXRPMGQLFGI-HXUWFJFHSA-N 2 1 398.572 3.939 20 0 GHADMP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cnn1-c1ccc(Cl)cc1Cl ZINC000629520821 1020755883 /nfs/dbraw/zinc/75/58/83/1020755883.db2.gz IVYVKERDUXNRJZ-LBPRGKRZSA-N 2 1 383.323 3.646 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000648778900 1021156093 /nfs/dbraw/zinc/15/60/93/1021156093.db2.gz SJQVUWORFNMFKX-LBFURVHYSA-N 2 1 380.536 3.708 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000648778900 1021156098 /nfs/dbraw/zinc/15/60/98/1021156098.db2.gz SJQVUWORFNMFKX-LBFURVHYSA-N 2 1 380.536 3.708 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2-c2cnc(N)nc2)CC1 ZINC001140322920 1021397573 /nfs/dbraw/zinc/39/75/73/1021397573.db2.gz CRXCHTKNYZBNCB-UHFFFAOYSA-N 2 1 387.531 3.822 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2-c2cnc(N)nc2)CC1 ZINC001140322920 1021397588 /nfs/dbraw/zinc/39/75/88/1021397588.db2.gz CRXCHTKNYZBNCB-UHFFFAOYSA-N 2 1 387.531 3.822 20 0 GHADMP Nc1ncc(-c2ccccc2C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326332 1021407206 /nfs/dbraw/zinc/40/72/06/1021407206.db2.gz MMPFRNRAZMROKT-REWPJTCUSA-N 2 1 399.542 3.680 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326332 1021407211 /nfs/dbraw/zinc/40/72/11/1021407211.db2.gz MMPFRNRAZMROKT-REWPJTCUSA-N 2 1 399.542 3.680 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326332 1021407217 /nfs/dbraw/zinc/40/72/17/1021407217.db2.gz MMPFRNRAZMROKT-REWPJTCUSA-N 2 1 399.542 3.680 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000679086884 1021958801 /nfs/dbraw/zinc/95/88/01/1021958801.db2.gz ONBLSDBURSJJCR-BHIYHBOVSA-N 2 1 388.531 3.677 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000679086884 1021958807 /nfs/dbraw/zinc/95/88/07/1021958807.db2.gz ONBLSDBURSJJCR-BHIYHBOVSA-N 2 1 388.531 3.677 20 0 GHADMP c1[nH]c2ncccc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001137399252 1022104925 /nfs/dbraw/zinc/10/49/25/1022104925.db2.gz QULSKSTUDLUSDB-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]c2ncccc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001137399252 1022104939 /nfs/dbraw/zinc/10/49/39/1022104939.db2.gz QULSKSTUDLUSDB-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001140694798 1022287465 /nfs/dbraw/zinc/28/74/65/1022287465.db2.gz BZASAJZGQSYPDS-PMACEKPBSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001140694798 1022287474 /nfs/dbraw/zinc/28/74/74/1022287474.db2.gz BZASAJZGQSYPDS-PMACEKPBSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001140694798 1022287487 /nfs/dbraw/zinc/28/74/87/1022287487.db2.gz BZASAJZGQSYPDS-PMACEKPBSA-N 2 1 381.520 3.535 20 0 GHADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CCO1 ZINC001204757511 1033070033 /nfs/dbraw/zinc/07/00/33/1033070033.db2.gz YWXMWHAKGZREEU-HXUWFJFHSA-N 2 1 383.923 3.893 20 0 GHADMP Cc1oc2ccccc2c1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001204757417 1033070703 /nfs/dbraw/zinc/07/07/03/1033070703.db2.gz VLSDVVRPERVHSZ-UHFFFAOYSA-N 2 1 377.532 3.991 20 0 GHADMP C[N@@H+]1CC[C@H](Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001156581377 1033113096 /nfs/dbraw/zinc/11/30/96/1033113096.db2.gz YYZMAFYQIQTEFG-HNNXBMFYSA-N 2 1 385.581 3.672 20 0 GHADMP C[N@H+]1CC[C@H](Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001156581377 1033113103 /nfs/dbraw/zinc/11/31/03/1033113103.db2.gz YYZMAFYQIQTEFG-HNNXBMFYSA-N 2 1 385.581 3.672 20 0 GHADMP C[NH+]1CCC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)CC1 ZINC001156576876 1033111579 /nfs/dbraw/zinc/11/15/79/1033111579.db2.gz ZPRVOUSEUBZFLV-UHFFFAOYSA-N 2 1 390.575 3.952 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001141040531 1023362078 /nfs/dbraw/zinc/36/20/78/1023362078.db2.gz KSMPORZEUMVJAE-BAGYTPMASA-N 2 1 393.531 3.585 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001141040531 1023362087 /nfs/dbraw/zinc/36/20/87/1023362087.db2.gz KSMPORZEUMVJAE-BAGYTPMASA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001141040531 1023362099 /nfs/dbraw/zinc/36/20/99/1023362099.db2.gz KSMPORZEUMVJAE-BAGYTPMASA-N 2 1 393.531 3.585 20 0 GHADMP COC(=O)/C=C\c1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001204937902 1033175718 /nfs/dbraw/zinc/17/57/18/1033175718.db2.gz PDBKQXNZYDMVRE-GZODLUNYSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001204937902 1033175724 /nfs/dbraw/zinc/17/57/24/1033175724.db2.gz PDBKQXNZYDMVRE-GZODLUNYSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001204937902 1033175734 /nfs/dbraw/zinc/17/57/34/1033175734.db2.gz PDBKQXNZYDMVRE-GZODLUNYSA-N 2 1 394.515 3.856 20 0 GHADMP COc1ccsc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001141323187 1024550725 /nfs/dbraw/zinc/55/07/25/1024550725.db2.gz PXRJIDHJDIMTLI-UHFFFAOYSA-N 2 1 378.563 3.685 20 0 GHADMP COc1ccsc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001141323187 1024550731 /nfs/dbraw/zinc/55/07/31/1024550731.db2.gz PXRJIDHJDIMTLI-UHFFFAOYSA-N 2 1 378.563 3.685 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001138543686 1024986864 /nfs/dbraw/zinc/98/68/64/1024986864.db2.gz XWQBRGOFNCGOFG-QFIPXVFZSA-N 2 1 392.528 3.871 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001138543686 1024986868 /nfs/dbraw/zinc/98/68/68/1024986868.db2.gz XWQBRGOFNCGOFG-QFIPXVFZSA-N 2 1 392.528 3.871 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001138544325 1024988562 /nfs/dbraw/zinc/98/85/62/1024988562.db2.gz GLBSQJSRUCUQSQ-UXHICEINSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001138544325 1024988567 /nfs/dbraw/zinc/98/85/67/1024988567.db2.gz GLBSQJSRUCUQSQ-UXHICEINSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138545556 1024990929 /nfs/dbraw/zinc/99/09/29/1024990929.db2.gz YTMFIGQXBFWVQB-BGYRXZFFSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138545556 1024990935 /nfs/dbraw/zinc/99/09/35/1024990935.db2.gz YTMFIGQXBFWVQB-BGYRXZFFSA-N 2 1 396.535 3.870 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1c1ccccc1 ZINC001138551816 1025006520 /nfs/dbraw/zinc/00/65/20/1025006520.db2.gz NSMROIYTDCMAGA-VXKWHMMOSA-N 2 1 375.472 3.569 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1c1ccccc1 ZINC001138551816 1025006528 /nfs/dbraw/zinc/00/65/28/1025006528.db2.gz NSMROIYTDCMAGA-VXKWHMMOSA-N 2 1 375.472 3.569 20 0 GHADMP CCn1nc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138642979 1025150068 /nfs/dbraw/zinc/15/00/68/1025150068.db2.gz FNGQTLFRRPTJAW-QFIPXVFZSA-N 2 1 396.579 3.775 20 0 GHADMP CCn1nc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138642978 1025150618 /nfs/dbraw/zinc/15/06/18/1025150618.db2.gz FNGQTLFRRPTJAW-JOCHJYFZSA-N 2 1 396.579 3.775 20 0 GHADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138644097 1025153914 /nfs/dbraw/zinc/15/39/14/1025153914.db2.gz IYUWTQYGTWRFNZ-AJSBUHFISA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138644097 1025153918 /nfs/dbraw/zinc/15/39/18/1025153918.db2.gz IYUWTQYGTWRFNZ-AJSBUHFISA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138644097 1025153924 /nfs/dbraw/zinc/15/39/24/1025153924.db2.gz IYUWTQYGTWRFNZ-AJSBUHFISA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138644097 1025153931 /nfs/dbraw/zinc/15/39/31/1025153931.db2.gz IYUWTQYGTWRFNZ-AJSBUHFISA-N 2 1 381.568 3.647 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)nn1 ZINC001141499007 1025272888 /nfs/dbraw/zinc/27/28/88/1025272888.db2.gz OOHOFQZHMYJQQT-UHFFFAOYSA-N 2 1 376.426 3.593 20 0 GHADMP CCCCc1ccc(C[N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)s1 ZINC001138756700 1025308420 /nfs/dbraw/zinc/30/84/20/1025308420.db2.gz ILRCBQMPMBLHOB-UHFFFAOYSA-N 2 1 390.597 3.771 20 0 GHADMP CCCCc1ccc(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)s1 ZINC001138756700 1025308428 /nfs/dbraw/zinc/30/84/28/1025308428.db2.gz ILRCBQMPMBLHOB-UHFFFAOYSA-N 2 1 390.597 3.771 20 0 GHADMP Fc1ncccc1C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001138791033 1025366721 /nfs/dbraw/zinc/36/67/21/1025366721.db2.gz MSXMIBIGXQESLC-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP c1cc2cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)ccc2o1 ZINC001138821764 1025425981 /nfs/dbraw/zinc/42/59/81/1025425981.db2.gz FRIUISQLAKKRAL-FYYLOGMGSA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)ccc2o1 ZINC001138821764 1025425985 /nfs/dbraw/zinc/42/59/85/1025425985.db2.gz FRIUISQLAKKRAL-FYYLOGMGSA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)ccc2o1 ZINC001138821764 1025425989 /nfs/dbraw/zinc/42/59/89/1025425989.db2.gz FRIUISQLAKKRAL-FYYLOGMGSA-N 2 1 377.488 3.551 20 0 GHADMP COc1cc(OC(F)(F)F)ccc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001138852314 1025471494 /nfs/dbraw/zinc/47/14/94/1025471494.db2.gz QWDWNTFQCNPIIP-UHFFFAOYSA-N 2 1 381.398 3.619 20 0 GHADMP C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000839011022 1025517185 /nfs/dbraw/zinc/51/71/85/1025517185.db2.gz LKYZYOJPQKYVLJ-IAGOWNOFSA-N 2 1 377.573 3.629 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001139014615 1025771383 /nfs/dbraw/zinc/77/13/83/1025771383.db2.gz WJONVONEZLYPBD-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001139037171 1025813120 /nfs/dbraw/zinc/81/31/20/1025813120.db2.gz GKEMLCWGJJQUNV-XZOQPEGZSA-N 2 1 379.548 3.572 20 0 GHADMP CCOC(=O)COc1ccccc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139136360 1025949420 /nfs/dbraw/zinc/94/94/20/1025949420.db2.gz WGMFDWMXEWBEGN-NRFANRHFSA-N 2 1 396.531 3.582 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4c(c3)CCO4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162935606 1025973374 /nfs/dbraw/zinc/97/33/74/1025973374.db2.gz UDHJSCFBFRIQJD-NRFANRHFSA-N 2 1 377.532 3.535 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000839550834 1026048669 /nfs/dbraw/zinc/04/86/69/1026048669.db2.gz IOHSKTTXWSGCBW-GBESFXJTSA-N 2 1 379.589 3.876 20 0 GHADMP C[NH+]1CCC(Oc2ccnc(NC3CC[NH+](C[C@H]4CC=CCC4)CC3)c2)CC1 ZINC001163322621 1026146074 /nfs/dbraw/zinc/14/60/74/1026146074.db2.gz YKDRQAMDUPIYRN-IBGZPJMESA-N 2 1 384.568 3.787 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@@H]3CC[N@@H+](C(C)C)C[C@H]3C)n2)cc1 ZINC001163371444 1026164982 /nfs/dbraw/zinc/16/49/82/1026164982.db2.gz QIVCEYSPUKYKSU-YLJYHZDGSA-N 2 1 383.540 3.652 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@@H]3CC[N@H+](C(C)C)C[C@H]3C)n2)cc1 ZINC001163371444 1026164986 /nfs/dbraw/zinc/16/49/86/1026164986.db2.gz QIVCEYSPUKYKSU-YLJYHZDGSA-N 2 1 383.540 3.652 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CCN(Cc1ccc(-c3ccccc3)s1)CC2 ZINC001139412949 1026286289 /nfs/dbraw/zinc/28/62/89/1026286289.db2.gz RPOGBEGKDPRWPW-UHFFFAOYSA-N 2 1 383.561 3.592 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccccc3-n3cncn3)C[C@@H]21 ZINC001139421441 1026291260 /nfs/dbraw/zinc/29/12/60/1026291260.db2.gz LOHGZXYUKUCNCK-FIXSFTCYSA-N 2 1 387.531 3.878 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3-n3cncn3)C[C@@H]21 ZINC001139421441 1026291271 /nfs/dbraw/zinc/29/12/71/1026291271.db2.gz LOHGZXYUKUCNCK-FIXSFTCYSA-N 2 1 387.531 3.878 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001139423502 1026295182 /nfs/dbraw/zinc/29/51/82/1026295182.db2.gz YWPLELVGLSNVPK-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001139423502 1026295192 /nfs/dbraw/zinc/29/51/92/1026295192.db2.gz YWPLELVGLSNVPK-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001139423502 1026295201 /nfs/dbraw/zinc/29/52/01/1026295201.db2.gz YWPLELVGLSNVPK-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001139423502 1026295214 /nfs/dbraw/zinc/29/52/14/1026295214.db2.gz YWPLELVGLSNVPK-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3CCc4ccncc4C3)CC2)cc1 ZINC001139513745 1026370040 /nfs/dbraw/zinc/37/00/40/1026370040.db2.gz ZWEPRJOXBPIOCZ-UHFFFAOYSA-N 2 1 398.554 3.962 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCc4ccncc4C3)CC2)cc1 ZINC001139513745 1026370053 /nfs/dbraw/zinc/37/00/53/1026370053.db2.gz ZWEPRJOXBPIOCZ-UHFFFAOYSA-N 2 1 398.554 3.962 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001139514243 1026370177 /nfs/dbraw/zinc/37/01/77/1026370177.db2.gz KCYYQSCYJVULLR-PXDATVDWSA-N 2 1 393.575 3.602 20 0 GHADMP CN1CCC([N@@H+](C)Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139515458 1026371129 /nfs/dbraw/zinc/37/11/29/1026371129.db2.gz OAIPGZNSTGGTCI-UHFFFAOYSA-N 2 1 392.591 3.535 20 0 GHADMP C[C@H]1CC[C@H](C[NH3+])N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC001164077868 1026403668 /nfs/dbraw/zinc/40/36/68/1026403668.db2.gz KVORSYVUHFJFDQ-DOTOQJQBSA-N 2 1 395.576 3.984 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)C1 ZINC001461100278 1069388812 /nfs/dbraw/zinc/38/88/12/1069388812.db2.gz HANJUZSBNSADCE-CQSZACIVSA-N 2 1 377.330 3.661 20 0 GHADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccccc2-c2ccccc2Cl)CCC1=O ZINC001139576960 1026442713 /nfs/dbraw/zinc/44/27/13/1026442713.db2.gz KDWWOWBTZKDSRU-UHFFFAOYSA-N 2 1 385.939 3.603 20 0 GHADMP [NH3+]CC1(c2ccccc2)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001164439215 1026514604 /nfs/dbraw/zinc/51/46/04/1026514604.db2.gz NRPKNFSRSLOQNI-UHFFFAOYSA-N 2 1 384.955 3.828 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001139709460 1026553761 /nfs/dbraw/zinc/55/37/61/1026553761.db2.gz HNCVKJSJCBFYPU-DHLKQENFSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001139709460 1026553770 /nfs/dbraw/zinc/55/37/70/1026553770.db2.gz HNCVKJSJCBFYPU-DHLKQENFSA-N 2 1 398.591 3.970 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4cccnc4c3)C[C@H]21 ZINC001139741541 1026582136 /nfs/dbraw/zinc/58/21/36/1026582136.db2.gz LWTZJMFQORVLAR-ZILOHOTNSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4cccnc4c3)C[C@H]21 ZINC001139741541 1026582144 /nfs/dbraw/zinc/58/21/44/1026582144.db2.gz LWTZJMFQORVLAR-ZILOHOTNSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4cccnc4c3)C[C@H]21 ZINC001139741541 1026582151 /nfs/dbraw/zinc/58/21/51/1026582151.db2.gz LWTZJMFQORVLAR-ZILOHOTNSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4cccnc4c3)C[C@H]21 ZINC001139741541 1026582159 /nfs/dbraw/zinc/58/21/59/1026582159.db2.gz LWTZJMFQORVLAR-ZILOHOTNSA-N 2 1 387.531 3.757 20 0 GHADMP Cn1ncc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001139951890 1026756524 /nfs/dbraw/zinc/75/65/24/1026756524.db2.gz RUUGGAUIDUXEJA-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001139951890 1026756537 /nfs/dbraw/zinc/75/65/37/1026756537.db2.gz RUUGGAUIDUXEJA-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001139951890 1026756549 /nfs/dbraw/zinc/75/65/49/1026756549.db2.gz RUUGGAUIDUXEJA-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001139951890 1026756559 /nfs/dbraw/zinc/75/65/59/1026756559.db2.gz RUUGGAUIDUXEJA-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001140024235 1026812448 /nfs/dbraw/zinc/81/24/48/1026812448.db2.gz DDKBFMYEMQWFAC-SFHVURJKSA-N 2 1 392.551 3.794 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001140024235 1026812460 /nfs/dbraw/zinc/81/24/60/1026812460.db2.gz DDKBFMYEMQWFAC-SFHVURJKSA-N 2 1 392.551 3.794 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001140026096 1026813154 /nfs/dbraw/zinc/81/31/54/1026813154.db2.gz VBNTZCLEMMUYPU-QFIPXVFZSA-N 2 1 392.528 3.871 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001140025890 1026813320 /nfs/dbraw/zinc/81/33/20/1026813320.db2.gz FWHUQIXTYZRQQF-UYAOXDASSA-N 2 1 396.535 3.870 20 0 GHADMP COc1ccc2n[nH]c(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071466 1026852613 /nfs/dbraw/zinc/85/26/13/1026852613.db2.gz LYIDICYTNQAQJR-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071466 1026852622 /nfs/dbraw/zinc/85/26/22/1026852622.db2.gz LYIDICYTNQAQJR-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071466 1026852631 /nfs/dbraw/zinc/85/26/31/1026852631.db2.gz LYIDICYTNQAQJR-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071466 1026852659 /nfs/dbraw/zinc/85/26/59/1026852659.db2.gz LYIDICYTNQAQJR-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071466 1026852670 /nfs/dbraw/zinc/85/26/70/1026852670.db2.gz LYIDICYTNQAQJR-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071466 1026852677 /nfs/dbraw/zinc/85/26/77/1026852677.db2.gz LYIDICYTNQAQJR-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071466 1026852688 /nfs/dbraw/zinc/85/26/88/1026852688.db2.gz LYIDICYTNQAQJR-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP C[N@H+](CCNC1CC[NH+](Cc2ccccc2Br)CC1)C1CCCC1 ZINC001461190240 1069433800 /nfs/dbraw/zinc/43/38/00/1069433800.db2.gz LLNMTELEHATCST-UHFFFAOYSA-N 2 1 394.401 3.878 20 0 GHADMP C[N@@H+](CCNC1CC[NH+](Cc2ccccc2Br)CC1)C1CCCC1 ZINC001461190240 1069433804 /nfs/dbraw/zinc/43/38/04/1069433804.db2.gz LLNMTELEHATCST-UHFFFAOYSA-N 2 1 394.401 3.878 20 0 GHADMP CC(=O)OCc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC001141787006 1027282088 /nfs/dbraw/zinc/28/20/88/1027282088.db2.gz DXGUUPCSZYCLLG-UHFFFAOYSA-N 2 1 382.504 3.831 20 0 GHADMP COc1cccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449761 1027346408 /nfs/dbraw/zinc/34/64/08/1027346408.db2.gz SQRXZVIKVDYCMX-YUXAGFNASA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449761 1027346429 /nfs/dbraw/zinc/34/64/29/1027346429.db2.gz SQRXZVIKVDYCMX-YUXAGFNASA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449761 1027346438 /nfs/dbraw/zinc/34/64/38/1027346438.db2.gz SQRXZVIKVDYCMX-YUXAGFNASA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449761 1027346461 /nfs/dbraw/zinc/34/64/61/1027346461.db2.gz SQRXZVIKVDYCMX-YUXAGFNASA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449761 1027346469 /nfs/dbraw/zinc/34/64/69/1027346469.db2.gz SQRXZVIKVDYCMX-YUXAGFNASA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449761 1027346486 /nfs/dbraw/zinc/34/64/86/1027346486.db2.gz SQRXZVIKVDYCMX-YUXAGFNASA-N 2 1 395.547 3.831 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC001461227741 1069451722 /nfs/dbraw/zinc/45/17/22/1069451722.db2.gz CMNIOCCQKWNKPP-DENIHFKCSA-N 3 1 387.593 3.861 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC001461227741 1069451727 /nfs/dbraw/zinc/45/17/27/1069451727.db2.gz CMNIOCCQKWNKPP-DENIHFKCSA-N 3 1 387.593 3.861 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C(F)(F)F ZINC001461233574 1069455613 /nfs/dbraw/zinc/45/56/13/1069455613.db2.gz NKDVZYFSMXQNAG-CTNGQTDRSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C(F)(F)F ZINC001461233574 1069455618 /nfs/dbraw/zinc/45/56/18/1069455618.db2.gz NKDVZYFSMXQNAG-CTNGQTDRSA-N 2 1 392.465 3.986 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001210495034 1027533764 /nfs/dbraw/zinc/53/37/64/1027533764.db2.gz YSAOKWQUOVLJEM-OALUTQOASA-N 2 1 390.572 3.649 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001203795044 1027609975 /nfs/dbraw/zinc/60/99/75/1027609975.db2.gz MXPNFOBXRYXRFR-RCZSKKKRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001203795044 1027609981 /nfs/dbraw/zinc/60/99/81/1027609981.db2.gz MXPNFOBXRYXRFR-RCZSKKKRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001203795044 1027609985 /nfs/dbraw/zinc/60/99/85/1027609985.db2.gz MXPNFOBXRYXRFR-RCZSKKKRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001203795044 1027609991 /nfs/dbraw/zinc/60/99/91/1027609991.db2.gz MXPNFOBXRYXRFR-RCZSKKKRSA-N 2 1 383.511 3.962 20 0 GHADMP Cc1[nH+]c2ccc(Br)cn2c1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001210754279 1027637666 /nfs/dbraw/zinc/63/76/66/1027637666.db2.gz ZVOPPHWVZOJTQE-UHFFFAOYSA-N 2 1 389.301 3.612 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC001461275443 1069475491 /nfs/dbraw/zinc/47/54/91/1069475491.db2.gz OJAJMZLOHGGGMK-UHFFFAOYSA-N 2 1 376.875 3.920 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c(OC)ccc4ccccc43)CC2)C1 ZINC001203991231 1027788470 /nfs/dbraw/zinc/78/84/70/1027788470.db2.gz OBNNUMISMCFOCK-IBGZPJMESA-N 2 1 396.531 3.698 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC001461277930 1069477797 /nfs/dbraw/zinc/47/77/97/1069477797.db2.gz WWYFGZSHHUXGMZ-AQNXPRMDSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001461277930 1069477799 /nfs/dbraw/zinc/47/77/99/1069477799.db2.gz WWYFGZSHHUXGMZ-AQNXPRMDSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)[C@H](C)N1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001461277930 1069477803 /nfs/dbraw/zinc/47/78/03/1069477803.db2.gz WWYFGZSHHUXGMZ-AQNXPRMDSA-N 2 1 379.548 3.872 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4sccc4C)CC3)C2)c1 ZINC001204019453 1027809257 /nfs/dbraw/zinc/80/92/57/1027809257.db2.gz FIBUPPYBKVRTRX-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4sccc4C)CC3)C2)c1 ZINC001204019453 1027809277 /nfs/dbraw/zinc/80/92/77/1027809277.db2.gz FIBUPPYBKVRTRX-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccsc1)CC2 ZINC001204035945 1027826122 /nfs/dbraw/zinc/82/61/22/1027826122.db2.gz CCVFVXPCYFXYNA-QGZVFWFLSA-N 2 1 377.579 3.708 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccsc1)CC2 ZINC001204035945 1027826147 /nfs/dbraw/zinc/82/61/47/1027826147.db2.gz CCVFVXPCYFXYNA-QGZVFWFLSA-N 2 1 377.579 3.708 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001204057364 1027844058 /nfs/dbraw/zinc/84/40/58/1027844058.db2.gz AHGAOAMCCVNZQS-KRWDZBQOSA-N 2 1 376.545 3.665 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ccc1O ZINC001204114323 1027885105 /nfs/dbraw/zinc/88/51/05/1027885105.db2.gz FQYMPFOWPPSLEA-UHFFFAOYSA-N 2 1 381.520 3.672 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC001211305851 1027902598 /nfs/dbraw/zinc/90/25/98/1027902598.db2.gz YGTANASIAVTFON-JOCHJYFZSA-N 2 1 388.600 3.806 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2nc(C3CCCCC3)cs2)CC1 ZINC001142041073 1027935602 /nfs/dbraw/zinc/93/56/02/1027935602.db2.gz HLEVEBGKNJSLRP-UHFFFAOYSA-N 2 1 399.564 3.519 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001142137801 1028227484 /nfs/dbraw/zinc/22/74/84/1028227484.db2.gz CRMYYYQEJSESME-JTJHWIPRSA-N 2 1 389.559 3.520 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001142137801 1028227494 /nfs/dbraw/zinc/22/74/94/1028227494.db2.gz CRMYYYQEJSESME-JTJHWIPRSA-N 2 1 389.559 3.520 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001142137801 1028227500 /nfs/dbraw/zinc/22/75/00/1028227500.db2.gz CRMYYYQEJSESME-JTJHWIPRSA-N 2 1 389.559 3.520 20 0 GHADMP CC(C)(C)c1nc[nH]c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001142222718 1028411679 /nfs/dbraw/zinc/41/16/79/1028411679.db2.gz UYZKZTSTSFKVBI-UHFFFAOYSA-N 2 1 382.552 3.574 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001142275267 1028550841 /nfs/dbraw/zinc/55/08/41/1028550841.db2.gz GKLCDTWUQAPZTA-KCZVDYSFSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001142275267 1028550854 /nfs/dbraw/zinc/55/08/54/1028550854.db2.gz GKLCDTWUQAPZTA-KCZVDYSFSA-N 2 1 385.596 3.914 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001142591574 1029121394 /nfs/dbraw/zinc/12/13/94/1029121394.db2.gz VULYENXNTZZWLG-UHFFFAOYSA-N 2 1 382.504 3.944 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678925 1029484985 /nfs/dbraw/zinc/48/49/85/1029484985.db2.gz BAHOPHWGZBTBEB-UXHICEINSA-N 2 1 385.552 3.783 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678925 1029484988 /nfs/dbraw/zinc/48/49/88/1029484988.db2.gz BAHOPHWGZBTBEB-UXHICEINSA-N 2 1 385.552 3.783 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842684854 1029491883 /nfs/dbraw/zinc/49/18/83/1029491883.db2.gz PTSLOIAXYBACRO-IPMKNSEASA-N 2 1 376.545 3.597 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842709650 1029520223 /nfs/dbraw/zinc/52/02/23/1029520223.db2.gz CNDNJIMHBYCHAC-UWHLTILDSA-N 2 1 397.563 3.639 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842709650 1029520236 /nfs/dbraw/zinc/52/02/36/1029520236.db2.gz CNDNJIMHBYCHAC-UWHLTILDSA-N 2 1 397.563 3.639 20 0 GHADMP [NH3+]CCc1ccc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)cc1 ZINC001216322413 1029604867 /nfs/dbraw/zinc/60/48/67/1029604867.db2.gz IZAODTFDUJYYDG-HXUWFJFHSA-N 2 1 389.434 3.776 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842922698 1029687108 /nfs/dbraw/zinc/68/71/08/1029687108.db2.gz CBXHJFMDXSOZTN-NRDMVMEKSA-N 2 1 387.568 3.567 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccn5ccnc45)CC3)C2)cc1 ZINC001142955444 1029730058 /nfs/dbraw/zinc/73/00/58/1029730058.db2.gz KNQGNMFLOUMPPC-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364261 1029940757 /nfs/dbraw/zinc/94/07/57/1029940757.db2.gz XTJYXGDVFSEAAC-LBPRGKRZSA-N 2 1 389.849 3.761 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)c(Cl)cc1Cl ZINC000843363418 1029942703 /nfs/dbraw/zinc/94/27/03/1029942703.db2.gz FAIRCJOOMRRGCA-UHFFFAOYSA-N 2 1 376.715 3.661 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)c(Cl)cc1Cl ZINC000843363418 1029942709 /nfs/dbraw/zinc/94/27/09/1029942709.db2.gz FAIRCJOOMRRGCA-UHFFFAOYSA-N 2 1 376.715 3.661 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc(C(F)F)cc2)CC1 ZINC001143246220 1029945196 /nfs/dbraw/zinc/94/51/96/1029945196.db2.gz XJPBKUWQNLXDNS-WOJBJXKFSA-N 2 1 391.506 3.531 20 0 GHADMP COCCCOc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1OC ZINC001222166709 1029984315 /nfs/dbraw/zinc/98/43/15/1029984315.db2.gz CKTIYKOSLIZUIU-QHCPKHFHSA-N 2 1 390.568 3.856 20 0 GHADMP Cn1c2ccccc2c(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c1-c1ccccc1 ZINC001222187101 1029993252 /nfs/dbraw/zinc/99/32/52/1029993252.db2.gz WVWUVXHKFTZFEY-UHFFFAOYSA-N 2 1 375.516 3.800 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(-c3ccc(F)cc3)cc1)CC[NH2+]CC2 ZINC001222221551 1030016087 /nfs/dbraw/zinc/01/60/87/1030016087.db2.gz NXMDZYFLJRRQRX-JOCHJYFZSA-N 2 1 396.506 4.000 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(Cc3ccccc3)cc1)CC[NH2+]CC2 ZINC001222226894 1030022231 /nfs/dbraw/zinc/02/22/31/1030022231.db2.gz YKGONSNEBIAMNS-QHCPKHFHSA-N 2 1 392.543 3.785 20 0 GHADMP Cc1cc(Br)c(C[NH+]2CCC(F)(C[NH3+])CC2)c(Br)c1 ZINC001222548287 1030192772 /nfs/dbraw/zinc/19/27/72/1030192772.db2.gz FBYCFWCDLMHKIM-UHFFFAOYSA-N 2 1 394.126 3.783 20 0 GHADMP c1[nH]c2ncccc2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222574603 1030205564 /nfs/dbraw/zinc/20/55/64/1030205564.db2.gz IBSHAFWRCRWJRI-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222609423 1030233346 /nfs/dbraw/zinc/23/33/46/1030233346.db2.gz NIEYGWLQMVPOKD-KRWDZBQOSA-N 2 1 392.421 3.783 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222609423 1030233361 /nfs/dbraw/zinc/23/33/61/1030233361.db2.gz NIEYGWLQMVPOKD-KRWDZBQOSA-N 2 1 392.421 3.783 20 0 GHADMP C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001222717975 1030286370 /nfs/dbraw/zinc/28/63/70/1030286370.db2.gz XHAVGJXALFIDJR-FQEVSTJZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001222717975 1030286384 /nfs/dbraw/zinc/28/63/84/1030286384.db2.gz XHAVGJXALFIDJR-FQEVSTJZSA-N 2 1 398.595 3.699 20 0 GHADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217692896 1030614861 /nfs/dbraw/zinc/61/48/61/1030614861.db2.gz POOKEFJZALIBSK-PXNSSMCTSA-N 2 1 387.487 3.783 20 0 GHADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217692896 1030614873 /nfs/dbraw/zinc/61/48/73/1030614873.db2.gz POOKEFJZALIBSK-PXNSSMCTSA-N 2 1 387.487 3.783 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1)C2 ZINC001218316682 1030889332 /nfs/dbraw/zinc/88/93/32/1030889332.db2.gz CWASLWXHGGNDBG-ZSXPUABSSA-N 2 1 388.552 3.681 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1)C2 ZINC001218316682 1030889356 /nfs/dbraw/zinc/88/93/56/1030889356.db2.gz CWASLWXHGGNDBG-ZSXPUABSSA-N 2 1 388.552 3.681 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(O[C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC001218411065 1030927429 /nfs/dbraw/zinc/92/74/29/1030927429.db2.gz XBRVNIOJRRFKPH-QHCPKHFHSA-N 2 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC001218411065 1030927440 /nfs/dbraw/zinc/92/74/40/1030927440.db2.gz XBRVNIOJRRFKPH-QHCPKHFHSA-N 3 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC001218411065 1030927445 /nfs/dbraw/zinc/92/74/45/1030927445.db2.gz XBRVNIOJRRFKPH-QHCPKHFHSA-N 3 1 399.966 3.916 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001218441591 1030937942 /nfs/dbraw/zinc/93/79/42/1030937942.db2.gz LJFJBWJYBDUVTN-XBYSBRQOSA-N 2 1 394.515 3.539 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)c1 ZINC001218883390 1031131952 /nfs/dbraw/zinc/13/19/52/1031131952.db2.gz JICMNWRZKIUYLV-CVDCTZTESA-N 2 1 396.535 3.542 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1)c1ccccc1 ZINC001219787565 1031617875 /nfs/dbraw/zinc/61/78/75/1031617875.db2.gz GWLCSFKXKDGWBT-NZQKXSOJSA-N 2 1 396.579 3.577 20 0 GHADMP C[NH+](C)C1(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CCCCC1 ZINC001220478316 1031957245 /nfs/dbraw/zinc/95/72/45/1031957245.db2.gz XBTRBBAIUYZDET-UHFFFAOYSA-N 2 1 386.584 3.605 20 0 GHADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC001205248650 1033324414 /nfs/dbraw/zinc/32/44/14/1033324414.db2.gz RDENNJYDRZWOJF-FQEVSTJZSA-N 2 1 394.437 3.928 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001156965290 1033346248 /nfs/dbraw/zinc/34/62/48/1033346248.db2.gz SMBONBYOPLCCBS-TZIWHRDSSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001156965290 1033346263 /nfs/dbraw/zinc/34/62/63/1033346263.db2.gz SMBONBYOPLCCBS-TZIWHRDSSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001156965290 1033346278 /nfs/dbraw/zinc/34/62/78/1033346278.db2.gz SMBONBYOPLCCBS-TZIWHRDSSA-N 2 1 399.579 3.687 20 0 GHADMP C[N@@H+](Cc1cccc(F)c1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001206050008 1033700235 /nfs/dbraw/zinc/70/02/35/1033700235.db2.gz XCIYPZXPXSSNAL-UHFFFAOYSA-N 2 1 392.316 3.630 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH2+][C@H](c5ccccc5)C4)ccc3C2)cc1 ZINC001157759595 1033756463 /nfs/dbraw/zinc/75/64/63/1033756463.db2.gz QDGUAZGGDFIBPL-DEOSSOPVSA-N 2 1 384.527 3.791 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206303159 1033787994 /nfs/dbraw/zinc/78/79/94/1033787994.db2.gz BXPUNPNQFLBTFV-JOCHJYFZSA-N 2 1 386.561 3.779 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1 ZINC001206303159 1033788012 /nfs/dbraw/zinc/78/80/12/1033788012.db2.gz BXPUNPNQFLBTFV-JOCHJYFZSA-N 2 1 386.561 3.779 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)c(I)c2)CC1 ZINC001206319124 1033793458 /nfs/dbraw/zinc/79/34/58/1033793458.db2.gz XWDDQKVKNVPHPV-HNNXBMFYSA-N 2 1 392.712 3.896 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccncc2OC)CC3)c1 ZINC001206466243 1033857002 /nfs/dbraw/zinc/85/70/02/1033857002.db2.gz JZXNYKYPCSNEKR-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001206537783 1033898954 /nfs/dbraw/zinc/89/89/54/1033898954.db2.gz NZUYTPKBODBYDK-OALUTQOASA-N 2 1 385.552 3.551 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3ccnc3)c(Br)c2)C1 ZINC001206573880 1033912781 /nfs/dbraw/zinc/91/27/81/1033912781.db2.gz OQTHZZSQCWRYKI-SFHVURJKSA-N 2 1 377.330 3.586 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3ccnc3)c(Br)c2)C1 ZINC001206573880 1033912789 /nfs/dbraw/zinc/91/27/89/1033912789.db2.gz OQTHZZSQCWRYKI-SFHVURJKSA-N 2 1 377.330 3.586 20 0 GHADMP CC1(C)C[C@@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@](C)(C[NH3+])C1 ZINC001158264095 1033993071 /nfs/dbraw/zinc/99/30/71/1033993071.db2.gz AVLSSVDYHUIPKS-DVECYGJZSA-N 2 1 393.579 3.991 20 0 GHADMP CC1(C)C[C@@H](Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@](C)(C[NH3+])C1 ZINC001158264095 1033993078 /nfs/dbraw/zinc/99/30/78/1033993078.db2.gz AVLSSVDYHUIPKS-DVECYGJZSA-N 2 1 393.579 3.991 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC001230464950 1034075581 /nfs/dbraw/zinc/07/55/81/1034075581.db2.gz KFWWSNGECKWPIL-GOTSBHOMSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC001230464950 1034075597 /nfs/dbraw/zinc/07/55/97/1034075597.db2.gz KFWWSNGECKWPIL-GOTSBHOMSA-N 2 1 398.595 3.654 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001158521611 1034125888 /nfs/dbraw/zinc/12/58/88/1034125888.db2.gz HBEZRKUFGZARHE-WOJBJXKFSA-N 2 1 394.563 3.654 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001230642335 1034157696 /nfs/dbraw/zinc/15/76/96/1034157696.db2.gz CYINPSIKTRACAZ-FGZHOGPDSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001230642335 1034157703 /nfs/dbraw/zinc/15/77/03/1034157703.db2.gz CYINPSIKTRACAZ-FGZHOGPDSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001230642335 1034157710 /nfs/dbraw/zinc/15/77/10/1034157710.db2.gz CYINPSIKTRACAZ-FGZHOGPDSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001207206876 1034175157 /nfs/dbraw/zinc/17/51/57/1034175157.db2.gz ANAZFSDWTJTBCA-LJQANCHMSA-N 2 1 377.573 3.584 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214494 1034182569 /nfs/dbraw/zinc/18/25/69/1034182569.db2.gz NUKMAMCBNSYAMG-BHIFYINESA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214494 1034182579 /nfs/dbraw/zinc/18/25/79/1034182579.db2.gz NUKMAMCBNSYAMG-BHIFYINESA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214494 1034182585 /nfs/dbraw/zinc/18/25/85/1034182585.db2.gz NUKMAMCBNSYAMG-BHIFYINESA-N 2 1 399.579 3.697 20 0 GHADMP C[C@@]1(C[NH3+])CCCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001158684404 1034229583 /nfs/dbraw/zinc/22/95/83/1034229583.db2.gz OHFCHYXEKVGRTD-QFIPXVFZSA-N 2 1 399.608 3.731 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(O)C(F)(F)F ZINC001207286725 1034236993 /nfs/dbraw/zinc/23/69/93/1034236993.db2.gz KYMHDMRCMFQUAT-XLIONFOSSA-N 2 1 384.486 3.924 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207286773 1034237089 /nfs/dbraw/zinc/23/70/89/1034237089.db2.gz MCKBLNGOZVTUJW-UHFFFAOYSA-N 2 1 378.516 3.744 20 0 GHADMP C[N@H+](CCc1c(Cl)ncnc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207331704 1034278720 /nfs/dbraw/zinc/27/87/20/1034278720.db2.gz QVMDIJQVJRKSPZ-INIZCTEOSA-N 2 1 379.335 3.780 20 0 GHADMP C[N@@H+](CCc1c(Cl)ncnc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207331704 1034278729 /nfs/dbraw/zinc/27/87/29/1034278729.db2.gz QVMDIJQVJRKSPZ-INIZCTEOSA-N 2 1 379.335 3.780 20 0 GHADMP C[NH+](CCc1c(Cl)ncnc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207331704 1034278739 /nfs/dbraw/zinc/27/87/39/1034278739.db2.gz QVMDIJQVJRKSPZ-INIZCTEOSA-N 2 1 379.335 3.780 20 0 GHADMP C[NH+](CCc1c(Cl)ncnc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207331704 1034278746 /nfs/dbraw/zinc/27/87/46/1034278746.db2.gz QVMDIJQVJRKSPZ-INIZCTEOSA-N 2 1 379.335 3.780 20 0 GHADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CCO1 ZINC001207357249 1034302704 /nfs/dbraw/zinc/30/27/04/1034302704.db2.gz LMGCRBOBWLZFAV-ZDXQCDESSA-N 2 1 390.612 3.652 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)CCO1 ZINC001207357249 1034302714 /nfs/dbraw/zinc/30/27/14/1034302714.db2.gz LMGCRBOBWLZFAV-ZDXQCDESSA-N 2 1 390.612 3.652 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)CCO1 ZINC001207357249 1034302727 /nfs/dbraw/zinc/30/27/27/1034302727.db2.gz LMGCRBOBWLZFAV-ZDXQCDESSA-N 2 1 390.612 3.652 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](CC1CC[NH2+]CC1)Cc1ccccc12 ZINC001207439399 1034369534 /nfs/dbraw/zinc/36/95/34/1034369534.db2.gz SBMWXBDKBRQPRE-UHFFFAOYSA-N 2 1 399.579 3.771 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CCC3(CC2)[NH2+]Cc2ccccc23)n1 ZINC001159030961 1034390853 /nfs/dbraw/zinc/39/08/53/1034390853.db2.gz BNXRYWRXNINJNI-UHFFFAOYSA-N 2 1 382.939 3.930 20 0 GHADMP Cc1cccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001207538124 1034442966 /nfs/dbraw/zinc/44/29/66/1034442966.db2.gz XFTGINZSJZVWKP-RPBOFIJWSA-N 2 1 382.592 3.998 20 0 GHADMP Cc1cccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001207538124 1034442974 /nfs/dbraw/zinc/44/29/74/1034442974.db2.gz XFTGINZSJZVWKP-RPBOFIJWSA-N 2 1 382.592 3.998 20 0 GHADMP Cc1cccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001207538124 1034442980 /nfs/dbraw/zinc/44/29/80/1034442980.db2.gz XFTGINZSJZVWKP-RPBOFIJWSA-N 2 1 382.592 3.998 20 0 GHADMP Fc1cc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(OCc2ccccc2)c1 ZINC001207675079 1034523413 /nfs/dbraw/zinc/52/34/13/1034523413.db2.gz JYBNYUYODJBLRT-QHCPKHFHSA-N 2 1 398.522 3.790 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)ccc1O ZINC001231422182 1034573049 /nfs/dbraw/zinc/57/30/49/1034573049.db2.gz SZWUFQVIEVGFKN-NRFANRHFSA-N 2 1 398.503 3.648 20 0 GHADMP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC001159391318 1034576097 /nfs/dbraw/zinc/57/60/97/1034576097.db2.gz QVOHYKKSLRJXGR-CEWLAPEOSA-N 2 1 393.579 3.804 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CCN(CC3(c4ccccc4)CC3)CC2)C1 ZINC001207841136 1034616501 /nfs/dbraw/zinc/61/65/01/1034616501.db2.gz QPOIUFCZWKRBQU-HXUWFJFHSA-N 2 1 399.579 3.782 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CCN(CC3(c4ccccc4)CC3)CC2)C1 ZINC001207841136 1034616510 /nfs/dbraw/zinc/61/65/10/1034616510.db2.gz QPOIUFCZWKRBQU-HXUWFJFHSA-N 2 1 399.579 3.782 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)cc1C ZINC001231483936 1034627735 /nfs/dbraw/zinc/62/77/35/1034627735.db2.gz ZQXVCIPVEOXGHM-SGNDLWITSA-N 2 1 393.579 3.578 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1C ZINC001231483936 1034627741 /nfs/dbraw/zinc/62/77/41/1034627741.db2.gz ZQXVCIPVEOXGHM-SGNDLWITSA-N 2 1 393.579 3.578 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1C ZINC001231483936 1034627747 /nfs/dbraw/zinc/62/77/47/1034627747.db2.gz ZQXVCIPVEOXGHM-SGNDLWITSA-N 2 1 393.579 3.578 20 0 GHADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231534262 1034688707 /nfs/dbraw/zinc/68/87/07/1034688707.db2.gz VAHZNQDBCUQVMC-MDNUFGMLSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231534262 1034688713 /nfs/dbraw/zinc/68/87/13/1034688713.db2.gz VAHZNQDBCUQVMC-MDNUFGMLSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231534262 1034688719 /nfs/dbraw/zinc/68/87/19/1034688719.db2.gz VAHZNQDBCUQVMC-MDNUFGMLSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231534262 1034688728 /nfs/dbraw/zinc/68/87/28/1034688728.db2.gz VAHZNQDBCUQVMC-MDNUFGMLSA-N 2 1 394.563 3.996 20 0 GHADMP COCCCOc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1OC ZINC001231539901 1034695843 /nfs/dbraw/zinc/69/58/43/1034695843.db2.gz DQHKOUBYAMHFEQ-UHFFFAOYSA-N 2 1 399.535 3.553 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(Nc4ccc([C@@H]5CC[NH2+]C5)cc4)cc3)CC2)CC1 ZINC001159776448 1034739433 /nfs/dbraw/zinc/73/94/33/1034739433.db2.gz UUNUEMHIQWLITJ-HXUWFJFHSA-N 2 1 376.548 3.744 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCCC23CCN(C(=O)OC(C)(C)C)CC3)CCCC1 ZINC001208183437 1034779068 /nfs/dbraw/zinc/77/90/68/1034779068.db2.gz DFRPENDEFUAKLG-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cc(F)cnc2OC)CC3)c1 ZINC001231744877 1034876786 /nfs/dbraw/zinc/87/67/86/1034876786.db2.gz YHJANQNAPGEIEM-UHFFFAOYSA-N 2 1 399.510 3.726 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(F)cnc2OC)CC3)c1 ZINC001231744877 1034876792 /nfs/dbraw/zinc/87/67/92/1034876792.db2.gz YHJANQNAPGEIEM-UHFFFAOYSA-N 2 1 399.510 3.726 20 0 GHADMP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001160134291 1034877087 /nfs/dbraw/zinc/87/70/87/1034877087.db2.gz IPSSPWBLKLKAGW-UHFFFAOYSA-N 2 1 385.483 3.532 20 0 GHADMP COCC[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc(-c4ccccc4)o3)C2)C1 ZINC001231811090 1034923755 /nfs/dbraw/zinc/92/37/55/1034923755.db2.gz SUBJRBVWMLTPTQ-QHCPKHFHSA-N 2 1 384.520 3.507 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@H]2CN2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001208582850 1034940966 /nfs/dbraw/zinc/94/09/66/1034940966.db2.gz PIVCECCYMHBERR-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001208582850 1034940968 /nfs/dbraw/zinc/94/09/68/1034940968.db2.gz PIVCECCYMHBERR-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001208604487 1034952397 /nfs/dbraw/zinc/95/23/97/1034952397.db2.gz OUSIMMXFNDASRY-NRFANRHFSA-N 2 1 387.568 3.670 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208632002 1034961517 /nfs/dbraw/zinc/96/15/17/1034961517.db2.gz HZKBJFSQQGWALK-FIXSFTCYSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208632002 1034961522 /nfs/dbraw/zinc/96/15/22/1034961522.db2.gz HZKBJFSQQGWALK-FIXSFTCYSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208632002 1034961524 /nfs/dbraw/zinc/96/15/24/1034961524.db2.gz HZKBJFSQQGWALK-FIXSFTCYSA-N 2 1 384.564 3.954 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3COC4(CCCCC4)O3)C[C@H]21 ZINC001208637986 1034964509 /nfs/dbraw/zinc/96/45/09/1034964509.db2.gz CIZWLLPKNNNSTK-CWKRKGSWSA-N 2 1 399.579 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3COC4(CCCCC4)O3)C[C@H]21 ZINC001208637986 1034964513 /nfs/dbraw/zinc/96/45/13/1034964513.db2.gz CIZWLLPKNNNSTK-CWKRKGSWSA-N 2 1 399.579 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3COC4(CCCCC4)O3)C[C@H]21 ZINC001208637986 1034964517 /nfs/dbraw/zinc/96/45/17/1034964517.db2.gz CIZWLLPKNNNSTK-CWKRKGSWSA-N 2 1 399.579 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3COC4(CCCCC4)O3)C[C@H]21 ZINC001208637986 1034964520 /nfs/dbraw/zinc/96/45/20/1034964520.db2.gz CIZWLLPKNNNSTK-CWKRKGSWSA-N 2 1 399.579 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885437 1034967641 /nfs/dbraw/zinc/96/76/41/1034967641.db2.gz MHNBPYGJDOCRQC-BVYCBKJFSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccc4c3OCCO4)C[C@@H]21 ZINC001231885437 1034967642 /nfs/dbraw/zinc/96/76/42/1034967642.db2.gz MHNBPYGJDOCRQC-BVYCBKJFSA-N 2 1 393.531 3.585 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCO5)CC[C@H]3C2)cc1 ZINC001231888607 1034969656 /nfs/dbraw/zinc/96/96/56/1034969656.db2.gz UPVJHXDHDLEUOC-LEWJYISDSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c4OCCO5)CC[C@H]3C2)cc1 ZINC001231888607 1034969662 /nfs/dbraw/zinc/96/96/62/1034969662.db2.gz UPVJHXDHDLEUOC-LEWJYISDSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCCO5)CC[C@H]3C2)cc1 ZINC001231888607 1034969666 /nfs/dbraw/zinc/96/96/66/1034969666.db2.gz UPVJHXDHDLEUOC-LEWJYISDSA-N 2 1 378.516 3.802 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](CCC(C)(C)c4ccccc4)C3)O2)CC1 ZINC001208667329 1034975551 /nfs/dbraw/zinc/97/55/51/1034975551.db2.gz WQDPLSHPEUVZND-ILBGXUMGSA-N 2 1 399.623 3.615 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](CCC(C)(C)c4ccccc4)C3)O2)CC1 ZINC001208667329 1034975555 /nfs/dbraw/zinc/97/55/55/1034975555.db2.gz WQDPLSHPEUVZND-ILBGXUMGSA-N 2 1 399.623 3.615 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](CCC(C)(C)c4ccccc4)C3)O2)CC1 ZINC001208667329 1034975561 /nfs/dbraw/zinc/97/55/61/1034975561.db2.gz WQDPLSHPEUVZND-ILBGXUMGSA-N 2 1 399.623 3.615 20 0 GHADMP CC(C)(CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208667325 1034975904 /nfs/dbraw/zinc/97/59/04/1034975904.db2.gz WOVHZLVKVGXIIG-ISKFKSNPSA-N 2 1 393.575 3.972 20 0 GHADMP CC(C)(CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208667325 1034975909 /nfs/dbraw/zinc/97/59/09/1034975909.db2.gz WOVHZLVKVGXIIG-ISKFKSNPSA-N 2 1 393.575 3.972 20 0 GHADMP CC(C)(CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1)c1ccccc1 ZINC001208667325 1034975913 /nfs/dbraw/zinc/97/59/13/1034975913.db2.gz WOVHZLVKVGXIIG-ISKFKSNPSA-N 2 1 393.575 3.972 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001160546175 1034999489 /nfs/dbraw/zinc/99/94/89/1034999489.db2.gz JNLZEGUKXPADHX-GMAHTHKFSA-N 2 1 395.547 3.515 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001208787570 1035020280 /nfs/dbraw/zinc/02/02/80/1035020280.db2.gz JRLSLFWYRPERNM-NPDDRXJXSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001208787570 1035020287 /nfs/dbraw/zinc/02/02/87/1035020287.db2.gz JRLSLFWYRPERNM-NPDDRXJXSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001208787570 1035020293 /nfs/dbraw/zinc/02/02/93/1035020293.db2.gz JRLSLFWYRPERNM-NPDDRXJXSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001208787570 1035020300 /nfs/dbraw/zinc/02/03/00/1035020300.db2.gz JRLSLFWYRPERNM-NPDDRXJXSA-N 2 1 387.568 3.593 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCc4cccnc4OC(C)C)C[C@H]3C2)cc1 ZINC001208790592 1035023935 /nfs/dbraw/zinc/02/39/35/1035023935.db2.gz FYSCYHDQVCCIOO-ZRZAMGCNSA-N 2 1 379.548 3.784 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4cccnc4OC(C)C)C[C@H]3C2)cc1 ZINC001208790592 1035023946 /nfs/dbraw/zinc/02/39/46/1035023946.db2.gz FYSCYHDQVCCIOO-ZRZAMGCNSA-N 2 1 379.548 3.784 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4cccnc4OC(C)C)C[C@H]3C2)cc1 ZINC001208790592 1035023956 /nfs/dbraw/zinc/02/39/56/1035023956.db2.gz FYSCYHDQVCCIOO-ZRZAMGCNSA-N 2 1 379.548 3.784 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](CCc4cccnc4OC(C)C)C[C@H]3C2)cc1 ZINC001208790592 1035023963 /nfs/dbraw/zinc/02/39/63/1035023963.db2.gz FYSCYHDQVCCIOO-ZRZAMGCNSA-N 2 1 379.548 3.784 20 0 GHADMP CC(C)Oc1ncccc1CCN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001208799922 1035027835 /nfs/dbraw/zinc/02/78/35/1035027835.db2.gz FAHWPCNQFHSAJQ-UHFFFAOYSA-N 2 1 379.548 3.934 20 0 GHADMP [NH3+][C@H](C(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001160680164 1035033134 /nfs/dbraw/zinc/03/31/34/1035033134.db2.gz QNDTTYYJWJFVEB-DQEYMECFSA-N 2 1 399.538 3.990 20 0 GHADMP [NH3+][C@H](C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001160680164 1035033143 /nfs/dbraw/zinc/03/31/43/1035033143.db2.gz QNDTTYYJWJFVEB-DQEYMECFSA-N 2 1 399.538 3.990 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]C1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160681980 1035034454 /nfs/dbraw/zinc/03/44/54/1035034454.db2.gz BCPMJLQPLBYZDM-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@H+](Cc1ccno1)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208820297 1035039714 /nfs/dbraw/zinc/03/97/14/1035039714.db2.gz MRNYUQMCTMJDIJ-UHFFFAOYSA-N 2 1 399.535 3.974 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1)C1(C)COC1 ZINC001208821689 1035040877 /nfs/dbraw/zinc/04/08/77/1035040877.db2.gz YJEQTBRBNIQGJF-UHFFFAOYSA-N 2 1 388.552 3.575 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]2CF)CC1 ZINC001232011361 1035041944 /nfs/dbraw/zinc/04/19/44/1035041944.db2.gz CFRXBLFLTVYQIJ-RDJZCZTQSA-N 2 1 388.487 3.638 20 0 GHADMP Fc1cccnc1OC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015256 1035045697 /nfs/dbraw/zinc/04/56/97/1035045697.db2.gz RXORATQJIARHJB-IFMALSPDSA-N 2 1 396.466 3.547 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094894 /nfs/dbraw/zinc/09/48/94/1035094894.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 2 1 378.564 3.502 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CCC[N@H+](Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094902 /nfs/dbraw/zinc/09/49/02/1035094902.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 2 1 378.564 3.502 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CCC[N@@H+](Cc4ccncc4)CC3)C2)cc1 ZINC001208931322 1035094911 /nfs/dbraw/zinc/09/49/11/1035094911.db2.gz JAAWZFZIIJNKKD-XMMPIXPASA-N 2 1 378.564 3.502 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208932395 1035096687 /nfs/dbraw/zinc/09/66/87/1035096687.db2.gz PPEYXWIOGUAXKL-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208932395 1035096695 /nfs/dbraw/zinc/09/66/95/1035096695.db2.gz PPEYXWIOGUAXKL-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208932395 1035096701 /nfs/dbraw/zinc/09/67/01/1035096701.db2.gz PPEYXWIOGUAXKL-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935858 1035101594 /nfs/dbraw/zinc/10/15/94/1035101594.db2.gz MLQXGYHMYMAERA-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935858 1035101597 /nfs/dbraw/zinc/10/15/97/1035101597.db2.gz MLQXGYHMYMAERA-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935858 1035101600 /nfs/dbraw/zinc/10/16/00/1035101600.db2.gz MLQXGYHMYMAERA-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935858 1035101604 /nfs/dbraw/zinc/10/16/04/1035101604.db2.gz MLQXGYHMYMAERA-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCc4ncnc(C5CC5)c4CC3)C2)cc1 ZINC001208937112 1035104177 /nfs/dbraw/zinc/10/41/77/1035104177.db2.gz VLQOAOGEMOGLNP-HXUWFJFHSA-N 2 1 376.548 3.667 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCc4ncnc(C5CC5)c4CC3)C2)cc1 ZINC001208937112 1035104181 /nfs/dbraw/zinc/10/41/81/1035104181.db2.gz VLQOAOGEMOGLNP-HXUWFJFHSA-N 2 1 376.548 3.667 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCc4ncnc(C5CC5)c4CC3)C2)cc1 ZINC001208937112 1035104186 /nfs/dbraw/zinc/10/41/86/1035104186.db2.gz VLQOAOGEMOGLNP-HXUWFJFHSA-N 2 1 376.548 3.667 20 0 GHADMP CC[C@@H]1[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@]12CCC(=O)N2C ZINC001208937692 1035105195 /nfs/dbraw/zinc/10/51/95/1035105195.db2.gz XZNZTQJSTGYFGR-GPXNEJASSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@@H]1[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@]12CCC(=O)N2C ZINC001208937692 1035105199 /nfs/dbraw/zinc/10/51/99/1035105199.db2.gz XZNZTQJSTGYFGR-GPXNEJASSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@@H]1[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@]12CCC(=O)N2C ZINC001208937692 1035105206 /nfs/dbraw/zinc/10/52/06/1035105206.db2.gz XZNZTQJSTGYFGR-GPXNEJASSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938437 1035106647 /nfs/dbraw/zinc/10/66/47/1035106647.db2.gz ZHJDKVPQEPEKSO-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938437 1035106652 /nfs/dbraw/zinc/10/66/52/1035106652.db2.gz ZHJDKVPQEPEKSO-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938437 1035106656 /nfs/dbraw/zinc/10/66/56/1035106656.db2.gz ZHJDKVPQEPEKSO-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939088 1035107568 /nfs/dbraw/zinc/10/75/68/1035107568.db2.gz BPSRZYASTWDXEK-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939088 1035107572 /nfs/dbraw/zinc/10/75/72/1035107572.db2.gz BPSRZYASTWDXEK-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939088 1035107576 /nfs/dbraw/zinc/10/75/76/1035107576.db2.gz BPSRZYASTWDXEK-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939088 1035107582 /nfs/dbraw/zinc/10/75/82/1035107582.db2.gz BPSRZYASTWDXEK-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208942985 1035114178 /nfs/dbraw/zinc/11/41/78/1035114178.db2.gz KOUVYYKWVMTTQN-FGZHOGPDSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208942985 1035114182 /nfs/dbraw/zinc/11/41/82/1035114182.db2.gz KOUVYYKWVMTTQN-FGZHOGPDSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208942985 1035114187 /nfs/dbraw/zinc/11/41/87/1035114187.db2.gz KOUVYYKWVMTTQN-FGZHOGPDSA-N 2 1 395.547 3.846 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942726 1035114326 /nfs/dbraw/zinc/11/43/26/1035114326.db2.gz RIEVEDYBVJANEW-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942726 1035114331 /nfs/dbraw/zinc/11/43/31/1035114331.db2.gz RIEVEDYBVJANEW-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942726 1035114333 /nfs/dbraw/zinc/11/43/33/1035114333.db2.gz RIEVEDYBVJANEW-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP COc1cc(OC2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC001208944924 1035115242 /nfs/dbraw/zinc/11/52/42/1035115242.db2.gz PUPVHMQKWMBPML-NRFANRHFSA-N 2 1 395.547 3.846 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208946476 1035117172 /nfs/dbraw/zinc/11/71/72/1035117172.db2.gz QGVBQLMWYNEDJH-GOTSBHOMSA-N 2 1 384.564 3.559 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948587 1035118461 /nfs/dbraw/zinc/11/84/61/1035118461.db2.gz SAGRZUFGCPEOAQ-TZIWHRDSSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948587 1035118464 /nfs/dbraw/zinc/11/84/64/1035118464.db2.gz SAGRZUFGCPEOAQ-TZIWHRDSSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948587 1035118468 /nfs/dbraw/zinc/11/84/68/1035118468.db2.gz SAGRZUFGCPEOAQ-TZIWHRDSSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948587 1035118470 /nfs/dbraw/zinc/11/84/70/1035118470.db2.gz SAGRZUFGCPEOAQ-TZIWHRDSSA-N 2 1 387.568 3.840 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949871 1035120243 /nfs/dbraw/zinc/12/02/43/1035120243.db2.gz ZEJIRNVQJMJFAM-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949871 1035120245 /nfs/dbraw/zinc/12/02/45/1035120245.db2.gz ZEJIRNVQJMJFAM-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949871 1035120249 /nfs/dbraw/zinc/12/02/49/1035120249.db2.gz ZEJIRNVQJMJFAM-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949871 1035120255 /nfs/dbraw/zinc/12/02/55/1035120255.db2.gz ZEJIRNVQJMJFAM-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208951273 1035121950 /nfs/dbraw/zinc/12/19/50/1035121950.db2.gz AYPBGJFYYATDGR-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208951273 1035121955 /nfs/dbraw/zinc/12/19/55/1035121955.db2.gz AYPBGJFYYATDGR-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208951273 1035121959 /nfs/dbraw/zinc/12/19/59/1035121959.db2.gz AYPBGJFYYATDGR-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208951273 1035121964 /nfs/dbraw/zinc/12/19/64/1035121964.db2.gz AYPBGJFYYATDGR-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001232143922 1035122016 /nfs/dbraw/zinc/12/20/16/1035122016.db2.gz DYUCLPCAEGKPSW-IBGZPJMESA-N 2 1 379.520 3.767 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC001232143922 1035122022 /nfs/dbraw/zinc/12/20/22/1035122022.db2.gz DYUCLPCAEGKPSW-IBGZPJMESA-N 2 1 379.520 3.767 20 0 GHADMP O=C(C1CCCCC1)N1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208951712 1035123634 /nfs/dbraw/zinc/12/36/34/1035123634.db2.gz BGGFPTACJAGKFK-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C(C1CCCCC1)N1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208951712 1035123637 /nfs/dbraw/zinc/12/36/37/1035123637.db2.gz BGGFPTACJAGKFK-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C(C1CCCCC1)N1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951712 1035123641 /nfs/dbraw/zinc/12/36/41/1035123641.db2.gz BGGFPTACJAGKFK-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C(C1CCCCC1)N1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951712 1035123645 /nfs/dbraw/zinc/12/36/45/1035123645.db2.gz BGGFPTACJAGKFK-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C1Nc2c(cccc2F)C12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208952387 1035126055 /nfs/dbraw/zinc/12/60/55/1035126055.db2.gz RPJVUQQGPYCHIC-IBGZPJMESA-N 2 1 393.506 3.634 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232149076 1035127390 /nfs/dbraw/zinc/12/73/90/1035127390.db2.gz TUBGDXFXMSXKAB-SFHVURJKSA-N 2 1 391.531 3.576 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001208956360 1035129744 /nfs/dbraw/zinc/12/97/44/1035129744.db2.gz HMJVNKCNDZXMLW-OAQYLSRUSA-N 2 1 387.568 3.841 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001232151447 1035129986 /nfs/dbraw/zinc/12/99/86/1035129986.db2.gz XWVRJUJFCAIWGZ-UHFFFAOYSA-N 3 1 385.527 3.968 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001232151447 1035129993 /nfs/dbraw/zinc/12/99/93/1035129993.db2.gz XWVRJUJFCAIWGZ-UHFFFAOYSA-N 2 1 385.527 3.968 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001232151447 1035129997 /nfs/dbraw/zinc/12/99/97/1035129997.db2.gz XWVRJUJFCAIWGZ-UHFFFAOYSA-N 2 1 385.527 3.968 20 0 GHADMP CC(=O)N1CCC[C@@H](C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001208973584 1035135801 /nfs/dbraw/zinc/13/58/01/1035135801.db2.gz KVBXTKAJLAZJTO-QHCPKHFHSA-N 2 1 383.580 3.623 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209125412 1035184693 /nfs/dbraw/zinc/18/46/93/1035184693.db2.gz WUNGCNODOHQAED-RTWAWAEBSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209125412 1035184702 /nfs/dbraw/zinc/18/47/02/1035184702.db2.gz WUNGCNODOHQAED-RTWAWAEBSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209125412 1035184708 /nfs/dbraw/zinc/18/47/08/1035184708.db2.gz WUNGCNODOHQAED-RTWAWAEBSA-N 2 1 396.497 3.928 20 0 GHADMP Cc1cc(F)cc(CN(C(=O)CC[N@H+](C)Cc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001161281808 1035200988 /nfs/dbraw/zinc/20/09/88/1035200988.db2.gz MKEIBJNVVBXNJV-UHFFFAOYSA-N 2 1 397.538 3.737 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3cc4c(nn3)CC[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161464040 1035236011 /nfs/dbraw/zinc/23/60/11/1035236011.db2.gz XNJKVTKIAWZLNE-LADGPHEKSA-N 2 1 399.542 3.593 20 0 GHADMP CCN1CCC([N@@H+](C)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001209341187 1035245742 /nfs/dbraw/zinc/24/57/42/1035245742.db2.gz YXASKYUJRWWBCF-UHFFFAOYSA-N 2 1 385.549 3.575 20 0 GHADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001209379033 1035262128 /nfs/dbraw/zinc/26/21/28/1035262128.db2.gz GRKIOSXEJYZXSO-RCLSDMTESA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001209379033 1035262133 /nfs/dbraw/zinc/26/21/33/1035262133.db2.gz GRKIOSXEJYZXSO-RCLSDMTESA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001209379033 1035262139 /nfs/dbraw/zinc/26/21/39/1035262139.db2.gz GRKIOSXEJYZXSO-RCLSDMTESA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001209379033 1035262143 /nfs/dbraw/zinc/26/21/43/1035262143.db2.gz GRKIOSXEJYZXSO-RCLSDMTESA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001161749611 1035295150 /nfs/dbraw/zinc/29/51/50/1035295150.db2.gz YZYMMDWRASHTFI-HXUWFJFHSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001161749611 1035295152 /nfs/dbraw/zinc/29/51/52/1035295152.db2.gz YZYMMDWRASHTFI-HXUWFJFHSA-N 2 1 377.532 3.629 20 0 GHADMP CCOC(=O)c1c[nH]c2cc(Nc3ccc(Br)cc3C[NH3+])[nH+]cc21 ZINC001161852670 1035315658 /nfs/dbraw/zinc/31/56/58/1035315658.db2.gz AKPLNDKWFDSAGM-UHFFFAOYSA-N 2 1 389.253 3.704 20 0 GHADMP Cc1cc(Cl)ncc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001209630571 1035337341 /nfs/dbraw/zinc/33/73/41/1035337341.db2.gz WWGADGCZXSOTPR-UHFFFAOYSA-N 2 1 375.900 3.503 20 0 GHADMP Cc1cc(Cl)ncc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001209630571 1035337345 /nfs/dbraw/zinc/33/73/45/1035337345.db2.gz WWGADGCZXSOTPR-UHFFFAOYSA-N 2 1 375.900 3.503 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001461984832 1069929718 /nfs/dbraw/zinc/92/97/18/1069929718.db2.gz XHBHHEKXSDDNRF-FQEVSTJZSA-N 2 1 389.584 3.991 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001461984832 1069929723 /nfs/dbraw/zinc/92/97/23/1069929723.db2.gz XHBHHEKXSDDNRF-FQEVSTJZSA-N 2 1 389.584 3.991 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001461984832 1069929731 /nfs/dbraw/zinc/92/97/31/1069929731.db2.gz XHBHHEKXSDDNRF-FQEVSTJZSA-N 2 1 389.584 3.991 20 0 GHADMP O=C(Nc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1)NC1CC[NH2+]CC1 ZINC001241506579 1035597995 /nfs/dbraw/zinc/59/79/95/1035597995.db2.gz HOMNSXDUNYHFAF-UHFFFAOYSA-N 2 1 390.531 3.849 20 0 GHADMP [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001241507951 1035600845 /nfs/dbraw/zinc/60/08/45/1035600845.db2.gz WFONZXAWAFUILC-RQNOJGIXSA-N 2 1 389.543 3.976 20 0 GHADMP CC[C@]1(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CCC[NH2+]C1 ZINC001248270745 1035717564 /nfs/dbraw/zinc/71/75/64/1035717564.db2.gz IMQUIGWKAVCLIE-NQIIRXRSSA-N 2 1 381.455 3.639 20 0 GHADMP C[N@@H+](CCc1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1)Cc1ccccc1 ZINC001248346156 1035767604 /nfs/dbraw/zinc/76/76/04/1035767604.db2.gz JUBFZTPJGPVVTI-GZTJUZNOSA-N 2 1 389.503 3.873 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001241994255 1035782821 /nfs/dbraw/zinc/78/28/21/1035782821.db2.gz STXKODYGGXFWCN-DNQXCXABSA-N 2 1 380.532 3.972 20 0 GHADMP C[NH+]1CCN(C2CC[NH+](Cc3cccc(-c4ccc(Cl)cc4)n3)CC2)CC1 ZINC001248516088 1035927733 /nfs/dbraw/zinc/92/77/33/1035927733.db2.gz PZYONWJYXXJNCL-UHFFFAOYSA-N 2 1 384.955 3.614 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cccc(=O)n4C)CC3)C2)cc1 ZINC001248807258 1036174274 /nfs/dbraw/zinc/17/42/74/1036174274.db2.gz KXPRJRMKWYHFKA-UHFFFAOYSA-N 2 1 379.548 3.572 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC001462078261 1069982740 /nfs/dbraw/zinc/98/27/40/1069982740.db2.gz BYJXTAJMZWLEPR-FJIDUMEYSA-N 2 1 386.527 3.986 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2ccc(Cl)cc2Br)no1 ZINC001248896017 1036226657 /nfs/dbraw/zinc/22/66/57/1036226657.db2.gz LBKQBMZLWZHSJH-ZDUSSCGKSA-N 2 1 385.693 3.542 20 0 GHADMP COc1ccc(C[NH+]2CCN(C)CC2)cc1-c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001243655563 1036240537 /nfs/dbraw/zinc/24/05/37/1036240537.db2.gz XXJBMIVYEOEGCC-UHFFFAOYSA-N 2 1 393.575 3.919 20 0 GHADMP Cc1cc(Cl)cc(Cl)c1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245986016 1037109937 /nfs/dbraw/zinc/10/99/37/1037109937.db2.gz UJQXNNQMHXHEOH-ZWKOTPCHSA-N 2 1 389.273 3.601 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1 ZINC001246015026 1037135256 /nfs/dbraw/zinc/13/52/56/1037135256.db2.gz NKTBFLKXPDPNMH-OCBCSQNSSA-N 2 1 386.845 3.940 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC001246015904 1037135362 /nfs/dbraw/zinc/13/53/62/1037135362.db2.gz IWFFVRPRNIXTBL-SLFFLAALSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001246015904 1037135377 /nfs/dbraw/zinc/13/53/77/1037135377.db2.gz IWFFVRPRNIXTBL-SLFFLAALSA-N 2 1 389.337 3.517 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC001246020720 1037138822 /nfs/dbraw/zinc/13/88/22/1037138822.db2.gz KEQYDXKJOHDZFM-HXOBKFHXSA-N 2 1 381.520 3.512 20 0 GHADMP CC(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246036567 1037152800 /nfs/dbraw/zinc/15/28/00/1037152800.db2.gz RQAINQHVTGOIRF-GPXOXTDOSA-N 2 1 394.559 3.629 20 0 GHADMP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)C(c1ccccc1)c1ccccc1 ZINC001246044982 1037158081 /nfs/dbraw/zinc/15/80/81/1037158081.db2.gz IMPMRPOOFALPBE-OBDYRVMHSA-N 2 1 398.550 3.652 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246051989 1037162741 /nfs/dbraw/zinc/16/27/41/1037162741.db2.gz KXOKHWHPBARCRD-DENIHFKCSA-N 2 1 382.548 3.824 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246050272 1037163631 /nfs/dbraw/zinc/16/36/31/1037163631.db2.gz DCYSSELYAHBAQW-NZQKXSOJSA-N 2 1 376.585 3.835 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001246055184 1037168583 /nfs/dbraw/zinc/16/85/83/1037168583.db2.gz LXLUOUGJLGXYCD-LSTHTHJFSA-N 2 1 379.331 3.714 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001246055184 1037168599 /nfs/dbraw/zinc/16/85/99/1037168599.db2.gz LXLUOUGJLGXYCD-LSTHTHJFSA-N 2 1 379.331 3.714 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CCC[NH2+]C1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001246058764 1037172654 /nfs/dbraw/zinc/17/26/54/1037172654.db2.gz GLBXELXYUUEJJI-OCFYOKIWSA-N 2 1 394.559 3.912 20 0 GHADMP COc1ccc(OC[C@H](O)C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246067148 1037180557 /nfs/dbraw/zinc/18/05/57/1037180557.db2.gz MZHQVPVPCCHOIJ-NJDAHSKKSA-N 2 1 390.568 3.587 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246070251 1037186556 /nfs/dbraw/zinc/18/65/56/1037186556.db2.gz MRXJCSDVWGAHPU-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246122458 1037200613 /nfs/dbraw/zinc/20/06/13/1037200613.db2.gz QSNYZPAYRKGCNK-FPOVZHCZSA-N 3 1 389.653 3.998 20 0 GHADMP F[C@@H]1C[NH2+]C[C@@H]1N[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246128567 1037206983 /nfs/dbraw/zinc/20/69/83/1037206983.db2.gz UCSJFJQKWJTZPH-NHTNDUFYSA-N 2 1 393.550 3.651 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N[C@]45C[C@H]4C[NH2+]C5)C[C@@H]23)cc1 ZINC001246133963 1037209277 /nfs/dbraw/zinc/20/92/77/1037209277.db2.gz KUIWSECJZLFEKL-QJEZIUSSSA-N 2 1 387.571 3.703 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N[C@@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148960 1037216852 /nfs/dbraw/zinc/21/68/52/1037216852.db2.gz ORLFKJWHZDQVBW-XOGRSFEHSA-N 3 1 387.571 3.559 20 0 GHADMP CCOC(=O)CC1([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001246206181 1037239345 /nfs/dbraw/zinc/23/93/45/1037239345.db2.gz XXINCAHPXZURPQ-VXKWHMMOSA-N 2 1 378.516 3.560 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246212848 1037240457 /nfs/dbraw/zinc/24/04/57/1037240457.db2.gz REMRRBLQIQRGRR-GGAORHGYSA-N 3 1 399.529 3.977 20 0 GHADMP C[C@]1(C[NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)CC[NH2+]CC1(F)F ZINC001246220023 1037242989 /nfs/dbraw/zinc/24/29/89/1037242989.db2.gz IOYLYVPRHCJLPN-NKELODKYSA-N 2 1 386.527 3.703 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001246243559 1037249971 /nfs/dbraw/zinc/24/99/71/1037249971.db2.gz KCNBYDKEHNINSP-HKBOAZHASA-N 2 1 386.923 3.897 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001246243563 1037250140 /nfs/dbraw/zinc/25/01/40/1037250140.db2.gz KCNBYDKEHNINSP-NJYVYQBISA-N 2 1 386.923 3.897 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@@H]2CC[NH2+]C3(CCCCC3)C2)c2ccccc12 ZINC001246247730 1037251651 /nfs/dbraw/zinc/25/16/51/1037251651.db2.gz XKHCLYMZYPBMRN-GCJKJVERSA-N 2 1 383.536 3.702 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256478 1037256828 /nfs/dbraw/zinc/25/68/28/1037256828.db2.gz POAWKGGNDWFJTL-OXHIVJRSSA-N 2 1 396.531 3.988 20 0 GHADMP C[C@@H]1CC([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H](C)N1Cc1ccccc1 ZINC001246347286 1037307945 /nfs/dbraw/zinc/30/79/45/1037307945.db2.gz OXZXSVFQJUNNAQ-NHCUHLMSSA-N 2 1 392.591 3.627 20 0 GHADMP C[C@@H]1CC(NCc2cccc(N3CC[NH2+]CC3)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246347286 1037307963 /nfs/dbraw/zinc/30/79/63/1037307963.db2.gz OXZXSVFQJUNNAQ-NHCUHLMSSA-N 2 1 392.591 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3Cl)CC[NH2+]CC1)C2 ZINC001246368330 1037326386 /nfs/dbraw/zinc/32/63/86/1037326386.db2.gz FEVJCQMIHHZYGX-ACDBMABISA-N 2 1 375.988 3.857 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccccc3Cl)CC[NH2+]CC1)C2 ZINC001246368330 1037326405 /nfs/dbraw/zinc/32/64/05/1037326405.db2.gz FEVJCQMIHHZYGX-ACDBMABISA-N 2 1 375.988 3.857 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1F ZINC001246376807 1037333960 /nfs/dbraw/zinc/33/39/60/1037333960.db2.gz XXQGGZNXDOXJEK-WIYYLYMNSA-N 2 1 390.474 3.881 20 0 GHADMP CC[C@H](C)[C@H]([NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246397112 1037356594 /nfs/dbraw/zinc/35/65/94/1037356594.db2.gz SAMXISYLNFPUJN-MMAMFSCZSA-N 2 1 399.535 3.573 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246398195 1037357864 /nfs/dbraw/zinc/35/78/64/1037357864.db2.gz VDBAWZIIJMTNFT-GIWBLDEGSA-N 2 1 385.502 3.930 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)C[NH2+]1 ZINC001246402483 1037360370 /nfs/dbraw/zinc/36/03/70/1037360370.db2.gz AVJJEEIGBVDTKO-YJBOKZPZSA-N 2 1 381.358 3.519 20 0 GHADMP CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246448837 1037410567 /nfs/dbraw/zinc/41/05/67/1037410567.db2.gz LIXFRENLINEHCT-ZHRMCQFGSA-N 2 1 397.563 3.933 20 0 GHADMP C[C@@H]1C[C@H](NC2(Cc3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246455247 1037416868 /nfs/dbraw/zinc/41/68/68/1037416868.db2.gz HVBJOHIGDVABPZ-ZJSXRUAMSA-N 2 1 377.576 3.994 20 0 GHADMP C[C@H](Cc1ccccc1Br)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246500262 1037444104 /nfs/dbraw/zinc/44/41/04/1037444104.db2.gz HIFIJMLOIPXSIO-PBHICJAKSA-N 2 1 399.373 3.809 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@](F)(C[NH3+])CC2)CC1 ZINC001246556968 1037479724 /nfs/dbraw/zinc/47/97/24/1037479724.db2.gz IVPSJKGBBVWHIF-CKHPTIKVSA-N 2 1 396.934 3.846 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@H]1CCN[C@@H](c3ccccc3)C1)CC2 ZINC001246585814 1037489946 /nfs/dbraw/zinc/48/99/46/1037489946.db2.gz JQSJPVDXNFGTOW-XZOQPEGZSA-N 2 1 378.516 3.644 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC001246585814 1037490009 /nfs/dbraw/zinc/49/00/09/1037490009.db2.gz JQSJPVDXNFGTOW-XZOQPEGZSA-N 2 1 378.516 3.644 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@H](C)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001246603816 1037498877 /nfs/dbraw/zinc/49/88/77/1037498877.db2.gz OSUVIGDRVXHSTG-KDOFPFPSSA-N 2 1 399.362 3.932 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H](C)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001246603816 1037498919 /nfs/dbraw/zinc/49/89/19/1037498919.db2.gz OSUVIGDRVXHSTG-KDOFPFPSSA-N 2 1 399.362 3.932 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001246604319 1037500292 /nfs/dbraw/zinc/50/02/92/1037500292.db2.gz KWQZWDGBBSXPMF-IRQNMHNUSA-N 2 1 390.955 3.769 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H](C)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC001246604921 1037500411 /nfs/dbraw/zinc/50/04/11/1037500411.db2.gz SDVVZYQUNSKWCU-MAUKXSAKSA-N 2 1 398.469 3.644 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1C1CCC3(CCc4ccccc43)CC1)CC[NH2+]CC2 ZINC001246609587 1037503438 /nfs/dbraw/zinc/50/34/38/1037503438.db2.gz LYOKAYPTTHTLPP-YAQMXYOYSA-N 2 1 396.575 3.820 20 0 GHADMP Brc1ccc(C2CCC([N@@H+]3CCO[C@@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246615104 1037505697 /nfs/dbraw/zinc/50/56/97/1037505697.db2.gz CHWVJCDKIBZKFQ-LYBXBRPPSA-N 2 1 393.369 3.930 20 0 GHADMP Brc1ccc(C2CCC([N@H+]3CCO[C@@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246615104 1037505709 /nfs/dbraw/zinc/50/57/09/1037505709.db2.gz CHWVJCDKIBZKFQ-LYBXBRPPSA-N 2 1 393.369 3.930 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246614540 1037506910 /nfs/dbraw/zinc/50/69/10/1037506910.db2.gz NUDDDVUFEBZQBJ-VEDCXYSMSA-N 2 1 376.928 3.521 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001246614540 1037506943 /nfs/dbraw/zinc/50/69/43/1037506943.db2.gz NUDDDVUFEBZQBJ-VEDCXYSMSA-N 2 1 376.928 3.521 20 0 GHADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001246644716 1037525497 /nfs/dbraw/zinc/52/54/97/1037525497.db2.gz IUGGLHTXFQIURP-NTKDMRAZSA-N 2 1 382.548 3.872 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246675097 1037539050 /nfs/dbraw/zinc/53/90/50/1037539050.db2.gz VXPBOUDXBMSHLP-FBLLAGFSSA-N 2 1 392.543 3.990 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001246674421 1037540549 /nfs/dbraw/zinc/54/05/49/1037540549.db2.gz SWQXYHLMRXPFPJ-ZQGJOIPISA-N 2 1 384.564 3.651 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246710793 1037565272 /nfs/dbraw/zinc/56/52/72/1037565272.db2.gz RLTMTOHDFANAAK-FUPPJEDESA-N 2 1 399.579 3.786 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](C2CCC4(CC[NH2+]C4)CC2)CCO3)c1 ZINC001246720188 1037570434 /nfs/dbraw/zinc/57/04/34/1037570434.db2.gz MSPUAAFJMXKNQP-FOJYNEPKSA-N 2 1 383.580 3.589 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CC[NH2+]1 ZINC001246724173 1037575488 /nfs/dbraw/zinc/57/54/88/1037575488.db2.gz USEGMPSFMHIKSI-GNXKAVGDSA-N 2 1 375.601 3.943 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246737272 1037580166 /nfs/dbraw/zinc/58/01/66/1037580166.db2.gz ASPJQGNHFPVXBT-FBLLAGFSSA-N 2 1 395.591 3.779 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246730590 1037580482 /nfs/dbraw/zinc/58/04/82/1037580482.db2.gz UHEIICUYWYEBBP-HOUBMWHVSA-N 2 1 383.580 3.729 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246737273 1037580807 /nfs/dbraw/zinc/58/08/07/1037580807.db2.gz ASPJQGNHFPVXBT-RQTOMXEWSA-N 2 1 395.591 3.779 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)C[C@@H](CC)[NH2+]1 ZINC001246730602 1037580983 /nfs/dbraw/zinc/58/09/83/1037580983.db2.gz UHEIICUYWYEBBP-PQNGQFLHSA-N 2 1 383.580 3.729 20 0 GHADMP Cc1cccc(N2C[C@@]3(CC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)CC2=O)c1 ZINC001246745685 1037586047 /nfs/dbraw/zinc/58/60/47/1037586047.db2.gz NTKGJVKLSBBNDH-DEOSSOPVSA-N 2 1 381.564 3.736 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCC[C@@]4(CC[NH2+]C4)C2)CC3)c1 ZINC001246744017 1037586491 /nfs/dbraw/zinc/58/64/91/1037586491.db2.gz YFICHEMJDABCCN-RCZVLFRGSA-N 3 1 397.607 3.905 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN([C@H]4CC[NH2+][C@@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747579 1037588408 /nfs/dbraw/zinc/58/84/08/1037588408.db2.gz PFYOABROXJFGIT-XZOQPEGZSA-N 2 1 399.623 3.829 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)CC[NH2+]1 ZINC001246753090 1037593055 /nfs/dbraw/zinc/59/30/55/1037593055.db2.gz ATRNYZOKADCBNJ-LQWHRVPQSA-N 2 1 375.582 3.796 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246770797 1037613374 /nfs/dbraw/zinc/61/33/74/1037613374.db2.gz UTFLLNYOUURROH-BESBDSHLSA-N 2 1 378.601 3.983 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)CC[NH2+]1 ZINC001246772916 1037616245 /nfs/dbraw/zinc/61/62/45/1037616245.db2.gz BXFQSMHBWTXKFD-JXALWOEJSA-N 2 1 383.580 3.944 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)C[C@H](CC)[NH2+]1 ZINC001246782417 1037620795 /nfs/dbraw/zinc/62/07/95/1037620795.db2.gz ZXCYOLKFZLHCIB-KCOOYEKVSA-N 2 1 383.580 3.942 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246782874 1037624369 /nfs/dbraw/zinc/62/43/69/1037624369.db2.gz LWQBTFFMHTYFLC-PMOLBWCYSA-N 2 1 394.401 3.876 20 0 GHADMP c1ccc(C(c2ccccc2)[C@@H]2CCCC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246810945 1037644472 /nfs/dbraw/zinc/64/44/72/1037644472.db2.gz BQPDDAAMUUKVCG-GOTSBHOMSA-N 2 1 375.560 3.767 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[N@H+]1Cc1ccccc1 ZINC001246831541 1037663745 /nfs/dbraw/zinc/66/37/45/1037663745.db2.gz CVPNEBWXXCNRQP-GDKQOWJMSA-N 2 1 381.539 3.852 20 0 GHADMP c1ccc(CN2CC[C@@H]([N@@H+](Cc3ccccc3)[C@@H]3CSC4(C[NH2+]C4)C3)C2)cc1 ZINC001246838940 1037667743 /nfs/dbraw/zinc/66/77/43/1037667743.db2.gz KMJYQJBFMHPBPR-PKTZIBPZSA-N 2 1 393.600 3.611 20 0 GHADMP Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246887399 1037702000 /nfs/dbraw/zinc/70/20/00/1037702000.db2.gz NIVSDHPRVROAOF-PXNSSMCTSA-N 2 1 383.536 3.661 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888061 1037704601 /nfs/dbraw/zinc/70/46/01/1037704601.db2.gz MUDXYPDWXDTJMZ-PMACEKPBSA-N 2 1 377.960 3.799 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888061 1037704621 /nfs/dbraw/zinc/70/46/21/1037704621.db2.gz MUDXYPDWXDTJMZ-PMACEKPBSA-N 2 1 377.960 3.799 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888130 1037704661 /nfs/dbraw/zinc/70/46/61/1037704661.db2.gz NPVKMMHKZLDOBR-RTBURBONSA-N 2 1 377.960 3.655 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888130 1037704681 /nfs/dbraw/zinc/70/46/81/1037704681.db2.gz NPVKMMHKZLDOBR-RTBURBONSA-N 2 1 377.960 3.655 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920829 1037727238 /nfs/dbraw/zinc/72/72/38/1037727238.db2.gz STHBRRCFKKYVBD-LRSLUSHPSA-N 2 1 382.479 3.507 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920829 1037727256 /nfs/dbraw/zinc/72/72/56/1037727256.db2.gz STHBRRCFKKYVBD-LRSLUSHPSA-N 2 1 382.479 3.507 20 0 GHADMP CO[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)C1 ZINC001246937365 1037742646 /nfs/dbraw/zinc/74/26/46/1037742646.db2.gz LNLSMGZBNXZODY-RTBURBONSA-N 2 1 381.358 3.961 20 0 GHADMP O=C1CC[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936885 1037743743 /nfs/dbraw/zinc/74/37/43/1037743743.db2.gz KKSIVZWBXSEGCK-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP c1ccc([C@H]2CCC[C@@H]([N@@H+](CCCN3CCOCC3)CC3CC[NH2+]CC3)C2)cc1 ZINC001246942297 1037747443 /nfs/dbraw/zinc/74/74/43/1037747443.db2.gz JKQCLJUNYROMHH-LOSJGSFVSA-N 2 1 399.623 3.737 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246941315 1037748081 /nfs/dbraw/zinc/74/80/81/1037748081.db2.gz ZLXJNTPTDGCRPZ-FUHYEJFZSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246941315 1037748100 /nfs/dbraw/zinc/74/81/00/1037748100.db2.gz ZLXJNTPTDGCRPZ-FUHYEJFZSA-N 2 1 376.516 3.892 20 0 GHADMP FC(F)(F)[C@H]1C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946508 1037750367 /nfs/dbraw/zinc/75/03/67/1037750367.db2.gz NTKIKOFTESJFBQ-DLBZAZTESA-N 2 1 375.866 3.577 20 0 GHADMP CCn1c2ccccc2nc1N1CC[NH+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246965407 1037787909 /nfs/dbraw/zinc/78/79/09/1037787909.db2.gz HRIBIULTKLVKFZ-LJQANCHMSA-N 2 1 381.568 3.633 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]1 ZINC001246985555 1037812764 /nfs/dbraw/zinc/81/27/64/1037812764.db2.gz AKSOUNOYWWDVMW-NFBKMPQASA-N 2 1 375.560 3.924 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]1 ZINC001246985555 1037812788 /nfs/dbraw/zinc/81/27/88/1037812788.db2.gz AKSOUNOYWWDVMW-NFBKMPQASA-N 2 1 375.560 3.924 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001247006841 1037833269 /nfs/dbraw/zinc/83/32/69/1037833269.db2.gz VXEHKSQDPGDZNW-LJQANCHMSA-N 2 1 392.543 3.931 20 0 GHADMP CC(=O)Nc1nc(CN2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cs1 ZINC001232284490 1038016953 /nfs/dbraw/zinc/01/69/53/1038016953.db2.gz MTTQYVVSRWDPAH-UHFFFAOYSA-N 2 1 390.578 3.651 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001232378126 1038153081 /nfs/dbraw/zinc/15/30/81/1038153081.db2.gz FAKSCQWTDZIFGV-BJKOFHAPSA-N 2 1 393.575 3.784 20 0 GHADMP Fc1ccc2nc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001232414756 1038197916 /nfs/dbraw/zinc/19/79/16/1038197916.db2.gz ISGGKAVRNZRKQG-WOJBJXKFSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1ccc2nc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001232414756 1038197927 /nfs/dbraw/zinc/19/79/27/1038197927.db2.gz ISGGKAVRNZRKQG-WOJBJXKFSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1ccc2nc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001232414756 1038197932 /nfs/dbraw/zinc/19/79/32/1038197932.db2.gz ISGGKAVRNZRKQG-WOJBJXKFSA-N 2 1 378.495 3.817 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1N)CC2 ZINC001232508434 1038279535 /nfs/dbraw/zinc/27/95/35/1038279535.db2.gz NDEFFDDQLJAOIJ-OAQYLSRUSA-N 2 1 383.511 3.663 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(CF)n4)CC3)C2)cc1 ZINC001232535265 1038303617 /nfs/dbraw/zinc/30/36/17/1038303617.db2.gz OOHXFCANSWFKQA-UHFFFAOYSA-N 2 1 383.511 3.727 20 0 GHADMP CNc1ccccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001232667233 1038465044 /nfs/dbraw/zinc/46/50/44/1038465044.db2.gz DKKCOLBBHUDTLW-QFIPXVFZSA-N 2 1 379.548 3.984 20 0 GHADMP COc1ccc2cccc(-c3noc([C@@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)c2c1 ZINC001247905721 1038477625 /nfs/dbraw/zinc/47/76/25/1038477625.db2.gz PNQAMEMBBHJHJC-QGZVFWFLSA-N 2 1 392.503 3.830 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900775 1038697349 /nfs/dbraw/zinc/69/73/49/1038697349.db2.gz QKMXPWOWVJPZQN-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900775 1038697450 /nfs/dbraw/zinc/69/74/50/1038697450.db2.gz QKMXPWOWVJPZQN-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900775 1038697546 /nfs/dbraw/zinc/69/75/46/1038697546.db2.gz QKMXPWOWVJPZQN-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900775 1038697657 /nfs/dbraw/zinc/69/76/57/1038697657.db2.gz QKMXPWOWVJPZQN-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900775 1038697760 /nfs/dbraw/zinc/69/77/60/1038697760.db2.gz QKMXPWOWVJPZQN-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP CCc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001462310533 1070160754 /nfs/dbraw/zinc/16/07/54/1070160754.db2.gz CULVQOYDGUODTG-POAQFYNOSA-N 2 1 375.557 3.887 20 0 GHADMP CN(C)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)n1 ZINC001233121672 1038908173 /nfs/dbraw/zinc/90/81/73/1038908173.db2.gz MVBQWQSXEDQIDC-PMACEKPBSA-N 2 1 382.527 3.631 20 0 GHADMP CN(C)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(F)n1 ZINC001233121672 1038908176 /nfs/dbraw/zinc/90/81/76/1038908176.db2.gz MVBQWQSXEDQIDC-PMACEKPBSA-N 2 1 382.527 3.631 20 0 GHADMP CN(C)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)n1 ZINC001233121687 1038908602 /nfs/dbraw/zinc/90/86/02/1038908602.db2.gz MVBQWQSXEDQIDC-WOJBJXKFSA-N 2 1 382.527 3.631 20 0 GHADMP CN(C)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)n1 ZINC001233121687 1038908604 /nfs/dbraw/zinc/90/86/04/1038908604.db2.gz MVBQWQSXEDQIDC-WOJBJXKFSA-N 2 1 382.527 3.631 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@H](O)COCc1ccccc1)CC2 ZINC001252279977 1038922027 /nfs/dbraw/zinc/92/20/27/1038922027.db2.gz HEXPGVMEZBQETP-JTHBVZDNSA-N 2 1 398.547 3.534 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383848 1038969052 /nfs/dbraw/zinc/96/90/52/1038969052.db2.gz XXDBIQWAFXAEJN-FKBYEOEOSA-N 2 1 382.548 3.918 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383848 1038969057 /nfs/dbraw/zinc/96/90/57/1038969057.db2.gz XXDBIQWAFXAEJN-FKBYEOEOSA-N 2 1 382.548 3.918 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383848 1038969058 /nfs/dbraw/zinc/96/90/58/1038969058.db2.gz XXDBIQWAFXAEJN-FKBYEOEOSA-N 2 1 382.548 3.918 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cnn3ccccc13)CC2 ZINC001233237584 1038997297 /nfs/dbraw/zinc/99/72/97/1038997297.db2.gz UFWQBYHVHKUBIS-IBGZPJMESA-N 2 1 396.560 3.651 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275015 1039042707 /nfs/dbraw/zinc/04/27/07/1039042707.db2.gz LABRAUOZAMVQSM-IBGZPJMESA-N 2 1 398.572 3.939 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001252939392 1039284562 /nfs/dbraw/zinc/28/45/62/1039284562.db2.gz JXAYNTKXJACOBB-FSSWDIPSSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001252939392 1039284576 /nfs/dbraw/zinc/28/45/76/1039284576.db2.gz JXAYNTKXJACOBB-FSSWDIPSSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001252939392 1039284587 /nfs/dbraw/zinc/28/45/87/1039284587.db2.gz JXAYNTKXJACOBB-FSSWDIPSSA-N 2 1 398.595 3.555 20 0 GHADMP O[C@]1(C[NH2+]Cc2cccc(OCC3CCC3)c2)CCN(Cc2ccccc2)C1 ZINC001252949748 1039294027 /nfs/dbraw/zinc/29/40/27/1039294027.db2.gz SUPAHMNGLQKMSO-DEOSSOPVSA-N 2 1 380.532 3.592 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951994 1039295285 /nfs/dbraw/zinc/29/52/85/1039295285.db2.gz YBOPBWKTNAZAFK-DSNGMDLFSA-N 2 1 394.559 3.741 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CC[C@@H](OCc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951994 1039295293 /nfs/dbraw/zinc/29/52/93/1039295293.db2.gz YBOPBWKTNAZAFK-DSNGMDLFSA-N 2 1 394.559 3.741 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC001252995056 1039322933 /nfs/dbraw/zinc/32/29/33/1039322933.db2.gz XHFFILIOWDDADX-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001253027359 1039360520 /nfs/dbraw/zinc/36/05/20/1039360520.db2.gz WOYFBEJDHTZQIN-XUZZJYLKSA-N 2 1 390.612 3.877 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCC3)C2)CC1 ZINC001253141297 1039444739 /nfs/dbraw/zinc/44/47/39/1039444739.db2.gz BHPLWNTYXPZVIA-UNMCSNQZSA-N 2 1 390.616 3.547 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)CNc1cccc2c1[C@@H]1Cc3ccccc3C[N@@H+]1CC2 ZINC001253399925 1039601593 /nfs/dbraw/zinc/60/15/93/1039601593.db2.gz URJIRKAIMJJEMT-UNMCSNQZSA-N 2 1 379.548 3.503 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)CNc1cccc2c1[C@@H]1Cc3ccccc3C[N@H+]1CC2 ZINC001253399925 1039601603 /nfs/dbraw/zinc/60/16/03/1039601603.db2.gz URJIRKAIMJJEMT-UNMCSNQZSA-N 2 1 379.548 3.503 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001253948223 1039919440 /nfs/dbraw/zinc/91/94/40/1039919440.db2.gz VDOFHFFYBKYITJ-QHCPKHFHSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC001253948223 1039919443 /nfs/dbraw/zinc/91/94/43/1039919443.db2.gz VDOFHFFYBKYITJ-QHCPKHFHSA-N 2 1 398.595 3.654 20 0 GHADMP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001234395300 1040000489 /nfs/dbraw/zinc/00/04/89/1040000489.db2.gz DNHQEEFPKWXGTH-GOTSBHOMSA-N 2 1 398.595 3.701 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001462430102 1070246625 /nfs/dbraw/zinc/24/66/25/1070246625.db2.gz XLBDLAYNUMRTEV-HXUWFJFHSA-N 2 1 379.589 3.687 20 0 GHADMP CCCC[C@H]([NH3+])Cc1cn(C2CC[NH+](CC(=O)OCC)CC2)c2ccccc12 ZINC001254400041 1040210005 /nfs/dbraw/zinc/21/00/05/1040210005.db2.gz XQFPCAPNECEWBW-IBGZPJMESA-N 2 1 385.552 3.901 20 0 GHADMP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001254421003 1040222954 /nfs/dbraw/zinc/22/29/54/1040222954.db2.gz WSLMXRBLXGHPDD-LOSJGSFVSA-N 2 1 391.559 3.645 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001254428605 1040226752 /nfs/dbraw/zinc/22/67/52/1040226752.db2.gz YHYMXMRZDNZXBL-UHFFFAOYSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC001254442621 1040234634 /nfs/dbraw/zinc/23/46/34/1040234634.db2.gz IYSDJWXRRPKIJX-UHFFFAOYSA-N 2 1 395.591 3.960 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+]C1CCc2ccccc2CC1 ZINC001254454914 1040241490 /nfs/dbraw/zinc/24/14/90/1040241490.db2.gz LTMRYMUGRDBMNZ-UHFFFAOYSA-N 2 1 389.584 3.760 20 0 GHADMP O[C@]1(C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000722142035 1040267955 /nfs/dbraw/zinc/26/79/55/1040267955.db2.gz CTXSNOWARVYTAY-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@]1(C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000722142035 1040267963 /nfs/dbraw/zinc/26/79/63/1040267963.db2.gz CTXSNOWARVYTAY-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP COc1ccc([C@H]([NH3+])[C@@H](N[C@@H]2CCC[N@@H+](C)CC2)c2ccc(OC)cc2)cc1 ZINC001254507243 1040286692 /nfs/dbraw/zinc/28/66/92/1040286692.db2.gz KTMBZGOMBDXJAX-OIBXWCBGSA-N 2 1 383.536 3.519 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]3CCC[N@H+](C)CC3)ccc12 ZINC001254510232 1040288106 /nfs/dbraw/zinc/28/81/06/1040288106.db2.gz UAFLSGHXFFCVFR-XLIONFOSSA-N 2 1 399.535 3.529 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]3CCC[N@@H+](C)CC3)ccc12 ZINC001254510232 1040288116 /nfs/dbraw/zinc/28/81/16/1040288116.db2.gz UAFLSGHXFFCVFR-XLIONFOSSA-N 2 1 399.535 3.529 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518720 1040292723 /nfs/dbraw/zinc/29/27/23/1040292723.db2.gz DKPTUPGFGVYFMA-SFTDATJTSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518720 1040292733 /nfs/dbraw/zinc/29/27/33/1040292733.db2.gz DKPTUPGFGVYFMA-SFTDATJTSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518720 1040292748 /nfs/dbraw/zinc/29/27/48/1040292748.db2.gz DKPTUPGFGVYFMA-SFTDATJTSA-N 2 1 399.579 3.807 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518717 1040294405 /nfs/dbraw/zinc/29/44/05/1040294405.db2.gz DKPTUPGFGVYFMA-LEWJYISDSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518717 1040294419 /nfs/dbraw/zinc/29/44/19/1040294419.db2.gz DKPTUPGFGVYFMA-LEWJYISDSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518717 1040294437 /nfs/dbraw/zinc/29/44/37/1040294437.db2.gz DKPTUPGFGVYFMA-LEWJYISDSA-N 2 1 399.579 3.807 20 0 GHADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001462461108 1070269662 /nfs/dbraw/zinc/26/96/62/1070269662.db2.gz NKJJEJAIZCLVFI-PGRDOPGGSA-N 2 1 383.536 3.924 20 0 GHADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001462461108 1070269673 /nfs/dbraw/zinc/26/96/73/1070269673.db2.gz NKJJEJAIZCLVFI-PGRDOPGGSA-N 2 1 383.536 3.924 20 0 GHADMP CCOC(=O)c1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c[nH]1 ZINC001234947717 1040450074 /nfs/dbraw/zinc/45/00/74/1040450074.db2.gz VEKIAUOHNSPRSM-FQEVSTJZSA-N 2 1 385.508 3.661 20 0 GHADMP CCCC[N@@H+](C)CCC[NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254714210 1040473028 /nfs/dbraw/zinc/47/30/28/1040473028.db2.gz BDJNOOWFJNGQLX-UHFFFAOYSA-N 2 1 397.604 3.647 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)c2)cc1 ZINC001234988085 1040482991 /nfs/dbraw/zinc/48/29/91/1040482991.db2.gz KQWUJELJPRQYOG-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235014394 1040502001 /nfs/dbraw/zinc/50/20/01/1040502001.db2.gz GAGGUISHRCUICN-XMMPIXPASA-N 2 1 379.548 3.622 20 0 GHADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235014394 1040502018 /nfs/dbraw/zinc/50/20/18/1040502018.db2.gz GAGGUISHRCUICN-XMMPIXPASA-N 2 1 379.548 3.622 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cccc(-n3ccnc3)c1)CC2 ZINC001235017240 1040504200 /nfs/dbraw/zinc/50/42/00/1040504200.db2.gz BATSZIWQPMZSAR-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cccc(-n3ccnc3)c1)CC2 ZINC001235017240 1040504210 /nfs/dbraw/zinc/50/42/10/1040504210.db2.gz BATSZIWQPMZSAR-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254751454 1040510801 /nfs/dbraw/zinc/51/08/01/1040510801.db2.gz WWZNCKQKGRZLFN-LJQANCHMSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254751454 1040510820 /nfs/dbraw/zinc/51/08/20/1040510820.db2.gz WWZNCKQKGRZLFN-LJQANCHMSA-N 2 1 379.589 3.972 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cc2)nc1 ZINC001235035649 1040528372 /nfs/dbraw/zinc/52/83/72/1040528372.db2.gz GQRVQYNABCOJBT-YLJYHZDGSA-N 2 1 391.437 3.578 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254789054 1040549653 /nfs/dbraw/zinc/54/96/53/1040549653.db2.gz MBYYMMWFLXUFNC-LJQANCHMSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnc(N3CCSCC3)c2)CC1 ZINC001462474482 1070283061 /nfs/dbraw/zinc/28/30/61/1070283061.db2.gz DVQKUTVUJHKBED-WIYYLYMNSA-N 2 1 388.625 3.768 20 0 GHADMP COc1cc(OC)c(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c2ccccc12 ZINC001235091661 1040581448 /nfs/dbraw/zinc/58/14/48/1040581448.db2.gz HAJILVBHUPQRHO-HXUWFJFHSA-N 2 1 376.447 3.678 20 0 GHADMP COc1cc(OC)c(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)c2ccccc12 ZINC001235091661 1040581455 /nfs/dbraw/zinc/58/14/55/1040581455.db2.gz HAJILVBHUPQRHO-HXUWFJFHSA-N 2 1 376.447 3.678 20 0 GHADMP Brc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001235093952 1040583343 /nfs/dbraw/zinc/58/33/43/1040583343.db2.gz UCSLNIJZWXWJJU-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP Brc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001235093952 1040583347 /nfs/dbraw/zinc/58/33/47/1040583347.db2.gz UCSLNIJZWXWJJU-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001235122942 1040615343 /nfs/dbraw/zinc/61/53/43/1040615343.db2.gz RQPMRUNUUGLHNO-UHFFFAOYSA-N 2 1 382.552 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)C[C@@H]2C1 ZINC001254910708 1040659927 /nfs/dbraw/zinc/65/99/27/1040659927.db2.gz KUVBCUJQLLITST-JSXRDJHFSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001235217214 1040697932 /nfs/dbraw/zinc/69/79/32/1040697932.db2.gz TTXYQTBHVIOFNU-QFIPXVFZSA-N 2 1 392.632 3.937 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001235221204 1040702201 /nfs/dbraw/zinc/70/22/01/1040702201.db2.gz IILAZCANAJHNSA-GMAHTHKFSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001235221204 1040702217 /nfs/dbraw/zinc/70/22/17/1040702217.db2.gz IILAZCANAJHNSA-GMAHTHKFSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001235221204 1040702231 /nfs/dbraw/zinc/70/22/31/1040702231.db2.gz IILAZCANAJHNSA-GMAHTHKFSA-N 2 1 398.595 3.603 20 0 GHADMP CSc1ncc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(NC2CCCC2)n1 ZINC001235230835 1040710781 /nfs/dbraw/zinc/71/07/81/1040710781.db2.gz QYCCDMYQQQFTMW-LJQANCHMSA-N 2 1 389.613 3.907 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022594 1040735091 /nfs/dbraw/zinc/73/50/91/1040735091.db2.gz JMBSVKOPGNULNN-NRFANRHFSA-N 2 1 382.573 3.971 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC001235271916 1040749053 /nfs/dbraw/zinc/74/90/53/1040749053.db2.gz PMXAWJADXJWVCX-CRAIPNDOSA-N 2 1 377.410 3.831 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC001235271916 1040749073 /nfs/dbraw/zinc/74/90/73/1040749073.db2.gz PMXAWJADXJWVCX-CRAIPNDOSA-N 2 1 377.410 3.831 20 0 GHADMP CN1CC([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255070138 1040763663 /nfs/dbraw/zinc/76/36/63/1040763663.db2.gz SRYNMYLYVGNCLD-ICDZXHCJSA-N 2 1 375.560 3.655 20 0 GHADMP CN1CC([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255070138 1040763672 /nfs/dbraw/zinc/76/36/72/1040763672.db2.gz SRYNMYLYVGNCLD-ICDZXHCJSA-N 2 1 375.560 3.655 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001235324836 1040794104 /nfs/dbraw/zinc/79/41/04/1040794104.db2.gz LMRVFWGAQDHYAP-WIOPSUGQSA-N 2 1 392.543 3.985 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3CN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112309 1040798512 /nfs/dbraw/zinc/79/85/12/1040798512.db2.gz KMWMOWRDEGLVPK-UBFVSLLYSA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H]4CCN(Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112309 1040798529 /nfs/dbraw/zinc/79/85/29/1040798529.db2.gz KMWMOWRDEGLVPK-UBFVSLLYSA-N 2 1 375.560 3.633 20 0 GHADMP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338541 1040807458 /nfs/dbraw/zinc/80/74/58/1040807458.db2.gz BDXXHISZXNURHR-NSHDSACASA-N 2 1 396.318 3.693 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123569 1040815588 /nfs/dbraw/zinc/81/55/88/1040815588.db2.gz CWRHYUIYQZUULU-MXEMCNAFSA-N 2 1 385.552 3.781 20 0 GHADMP CCCOc1cccnc1C(=[NH2+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255132094 1040827484 /nfs/dbraw/zinc/82/74/84/1040827484.db2.gz JCPBYQFZRATPPV-ACDBMABISA-N 2 1 378.520 3.981 20 0 GHADMP CCCOc1cccnc1C(=[NH2+])N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132094 1040827487 /nfs/dbraw/zinc/82/74/87/1040827487.db2.gz JCPBYQFZRATPPV-ACDBMABISA-N 2 1 378.520 3.981 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)nc1 ZINC001235360432 1040843326 /nfs/dbraw/zinc/84/33/26/1040843326.db2.gz CCAFWZIYUVAZQW-QUCCMNQESA-N 2 1 375.438 3.854 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)nc1 ZINC001235360432 1040843336 /nfs/dbraw/zinc/84/33/36/1040843336.db2.gz CCAFWZIYUVAZQW-QUCCMNQESA-N 2 1 375.438 3.854 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235364785 1040852890 /nfs/dbraw/zinc/85/28/90/1040852890.db2.gz MTRHBOMURHSLHK-ZJSXRUAMSA-N 2 1 380.532 3.765 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365365 1040856466 /nfs/dbraw/zinc/85/64/66/1040856466.db2.gz NYCBWAFWIRKCSK-RNXOBYDBSA-N 2 1 389.587 3.762 20 0 GHADMP CCN1CCc2ccc(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)cc21 ZINC001235369136 1040869772 /nfs/dbraw/zinc/86/97/72/1040869772.db2.gz QPNZWLTVKJSPTE-NOZRDPDXSA-N 2 1 375.560 3.822 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001255151393 1040874627 /nfs/dbraw/zinc/87/46/27/1040874627.db2.gz YAVYWCKFTABLQL-CBPXPLCBSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001255151393 1040874636 /nfs/dbraw/zinc/87/46/36/1040874636.db2.gz YAVYWCKFTABLQL-CBPXPLCBSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(C)c1 ZINC001235372816 1040879008 /nfs/dbraw/zinc/87/90/08/1040879008.db2.gz VEBYQLBMESSPKF-LADGPHEKSA-N 2 1 377.532 3.707 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235377192 1040889330 /nfs/dbraw/zinc/88/93/30/1040889330.db2.gz CAWWIVDLWKWANB-NOZRDPDXSA-N 2 1 392.543 3.875 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235379041 1040896035 /nfs/dbraw/zinc/89/60/35/1040896035.db2.gz FRRKYAZUIICJMF-ZCYQVOJMSA-N 2 1 392.543 3.545 20 0 GHADMP Ic1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235427855 1040928877 /nfs/dbraw/zinc/92/88/77/1040928877.db2.gz UDNKSDDUJMSEIF-HOTGVXAUSA-N 2 1 384.305 3.503 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428825 1040930439 /nfs/dbraw/zinc/93/04/39/1040930439.db2.gz RIXCUBWYFDQNCT-KGLIPLIRSA-N 2 1 385.321 3.808 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428825 1040930445 /nfs/dbraw/zinc/93/04/45/1040930445.db2.gz RIXCUBWYFDQNCT-KGLIPLIRSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)c(OCc2ccccc2)cc1OC ZINC001235433567 1040935065 /nfs/dbraw/zinc/93/50/65/1040935065.db2.gz MPJLKIWWAYEASD-UHFFFAOYSA-N 2 1 384.520 3.714 20 0 GHADMP CN(C)CC[N@H+]1CCCC2(CCN(Cc3ncc(Cl)cc3Cl)CC2)C1 ZINC001278858945 1040949091 /nfs/dbraw/zinc/94/90/91/1040949091.db2.gz IZBIBMOXIZUNDW-UHFFFAOYSA-N 2 1 385.383 3.628 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+](CCCCCC[NH3+])CC2 ZINC001235483224 1040956109 /nfs/dbraw/zinc/95/61/09/1040956109.db2.gz JMIYLVUURLKJTF-UHFFFAOYSA-N 2 1 387.549 3.516 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001235484730 1040957171 /nfs/dbraw/zinc/95/71/71/1040957171.db2.gz ZZKXLULGZUUQQN-OAQYLSRUSA-N 3 1 385.577 3.863 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001255363908 1040963118 /nfs/dbraw/zinc/96/31/18/1040963118.db2.gz BLOLBGKAHYOAGT-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001255363908 1040963126 /nfs/dbraw/zinc/96/31/26/1040963126.db2.gz BLOLBGKAHYOAGT-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001255363908 1040963128 /nfs/dbraw/zinc/96/31/28/1040963128.db2.gz BLOLBGKAHYOAGT-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001255363908 1040963129 /nfs/dbraw/zinc/96/31/29/1040963129.db2.gz BLOLBGKAHYOAGT-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255380947 1040971951 /nfs/dbraw/zinc/97/19/51/1040971951.db2.gz NFORWBMKKIZDHL-JWQCQUIFSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC001255381945 1040972819 /nfs/dbraw/zinc/97/28/19/1040972819.db2.gz ABKAYQCJACPMLR-VWLOTQADSA-N 2 1 393.575 3.663 20 0 GHADMP CCOC(=O)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391784 1040980130 /nfs/dbraw/zinc/98/01/30/1040980130.db2.gz TYNQCRVOCCFIRO-PKTZIBPZSA-N 2 1 380.532 3.978 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255392281 1040980315 /nfs/dbraw/zinc/98/03/15/1040980315.db2.gz IFFYRDGQAIRUJG-FKBYEOEOSA-N 2 1 379.552 3.608 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3(c4ccncc4)CCOCC3)CC2)cc1 ZINC001255391831 1040980462 /nfs/dbraw/zinc/98/04/62/1040980462.db2.gz CPNYNNJLBAMVEF-QHCPKHFHSA-N 2 1 379.548 3.774 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255393216 1040981251 /nfs/dbraw/zinc/98/12/51/1040981251.db2.gz MKYQDHSAXILMGP-ZEQRLZLVSA-N 2 1 391.559 3.936 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](n3nc(COCC4CC4)c4c3C[NH2+]C4)CC2)cc1 ZINC001255401922 1040988954 /nfs/dbraw/zinc/98/89/54/1040988954.db2.gz YQGHPQSADNBWTK-HXUWFJFHSA-N 2 1 380.536 3.640 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255402636 1040989876 /nfs/dbraw/zinc/98/98/76/1040989876.db2.gz KUUIUKZZVUOWGQ-DHIUTWEWSA-N 2 1 386.580 3.806 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402636 1040989883 /nfs/dbraw/zinc/98/98/83/1040989883.db2.gz KUUIUKZZVUOWGQ-DHIUTWEWSA-N 2 1 386.580 3.806 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404987 1040991618 /nfs/dbraw/zinc/99/16/18/1040991618.db2.gz VFFOXGDZFBVILH-OFVILXPXSA-N 2 1 389.543 3.661 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404987 1040991622 /nfs/dbraw/zinc/99/16/22/1040991622.db2.gz VFFOXGDZFBVILH-OFVILXPXSA-N 2 1 389.543 3.661 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404987 1040991623 /nfs/dbraw/zinc/99/16/23/1040991623.db2.gz VFFOXGDZFBVILH-OFVILXPXSA-N 2 1 389.543 3.661 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405373 1040992691 /nfs/dbraw/zinc/99/26/91/1040992691.db2.gz WLTGTCCLRHPQCW-DNQXCXABSA-N 2 1 383.580 3.908 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255405373 1040992697 /nfs/dbraw/zinc/99/26/97/1040992697.db2.gz WLTGTCCLRHPQCW-DNQXCXABSA-N 2 1 383.580 3.908 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255405373 1040992701 /nfs/dbraw/zinc/99/27/01/1040992701.db2.gz WLTGTCCLRHPQCW-DNQXCXABSA-N 2 1 383.580 3.908 20 0 GHADMP Fc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC001255408674 1040995152 /nfs/dbraw/zinc/99/51/52/1040995152.db2.gz ANOJGXVYBLKUFU-OAQYLSRUSA-N 2 1 382.527 3.834 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409857 1041000509 /nfs/dbraw/zinc/00/05/09/1041000509.db2.gz LWFICUOTWKPENO-NHCUHLMSSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409857 1041000546 /nfs/dbraw/zinc/00/05/46/1041000546.db2.gz LWFICUOTWKPENO-NHCUHLMSSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409857 1041000570 /nfs/dbraw/zinc/00/05/70/1041000570.db2.gz LWFICUOTWKPENO-NHCUHLMSSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409857 1041000598 /nfs/dbraw/zinc/00/05/98/1041000598.db2.gz LWFICUOTWKPENO-NHCUHLMSSA-N 2 1 381.520 3.598 20 0 GHADMP c1ccc(C[N@@H+](Cc2cccnc2)Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235658795 1041110665 /nfs/dbraw/zinc/11/06/65/1041110665.db2.gz FXUMNKSCIWEQMK-UHFFFAOYSA-N 2 1 386.543 3.689 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)CCO1 ZINC001255542475 1041119871 /nfs/dbraw/zinc/11/98/71/1041119871.db2.gz HMPNLNSSFXYCRK-AZUAARDMSA-N 2 1 379.495 3.572 20 0 GHADMP CC1(C)C[C@@H](N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542475 1041119881 /nfs/dbraw/zinc/11/98/81/1041119881.db2.gz HMPNLNSSFXYCRK-AZUAARDMSA-N 2 1 379.495 3.572 20 0 GHADMP CC1(C)C[C@@H](N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542475 1041119890 /nfs/dbraw/zinc/11/98/90/1041119890.db2.gz HMPNLNSSFXYCRK-AZUAARDMSA-N 2 1 379.495 3.572 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001235670530 1041123936 /nfs/dbraw/zinc/12/39/36/1041123936.db2.gz UINXZFGZCAJIGZ-WFASDCNBSA-N 2 1 376.850 3.813 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255606797 1041160745 /nfs/dbraw/zinc/16/07/45/1041160745.db2.gz FWUMGRADYLTYQT-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255606797 1041160751 /nfs/dbraw/zinc/16/07/51/1041160751.db2.gz FWUMGRADYLTYQT-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255606797 1041160758 /nfs/dbraw/zinc/16/07/58/1041160758.db2.gz FWUMGRADYLTYQT-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255606797 1041160767 /nfs/dbraw/zinc/16/07/67/1041160767.db2.gz FWUMGRADYLTYQT-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)C1 ZINC001255605382 1041161253 /nfs/dbraw/zinc/16/12/53/1041161253.db2.gz OPDAPVZKEQFWBZ-IBGZPJMESA-N 2 1 389.540 3.577 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)nc2c1 ZINC001235702662 1041182067 /nfs/dbraw/zinc/18/20/67/1041182067.db2.gz NUYWXHTWFZYXKB-UHFFFAOYSA-N 2 1 382.430 3.673 20 0 GHADMP Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255678363 1041210800 /nfs/dbraw/zinc/21/08/00/1041210800.db2.gz DPMQHRJFMWHHIP-WCRBZPEASA-N 2 1 391.563 3.627 20 0 GHADMP Cc1nc(C[NH+]2CCCC23CCN(C2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)cs1 ZINC001255678177 1041211058 /nfs/dbraw/zinc/21/10/58/1041211058.db2.gz VSNTWXLYTDJNOS-WCRBZPEASA-N 2 1 388.625 3.897 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN(C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)cs1 ZINC001255678177 1041211067 /nfs/dbraw/zinc/21/10/67/1041211067.db2.gz VSNTWXLYTDJNOS-WCRBZPEASA-N 2 1 388.625 3.897 20 0 GHADMP Cc1nc(C[N@@H+]2CCCC23CCN(C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)cs1 ZINC001255678177 1041211083 /nfs/dbraw/zinc/21/10/83/1041211083.db2.gz VSNTWXLYTDJNOS-WCRBZPEASA-N 2 1 388.625 3.897 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713284 1041239800 /nfs/dbraw/zinc/23/98/00/1041239800.db2.gz DDSXFNOBWHWSHQ-YSTOQKLRSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713284 1041239813 /nfs/dbraw/zinc/23/98/13/1041239813.db2.gz DDSXFNOBWHWSHQ-YSTOQKLRSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713284 1041239829 /nfs/dbraw/zinc/23/98/29/1041239829.db2.gz DDSXFNOBWHWSHQ-YSTOQKLRSA-N 2 1 397.485 3.725 20 0 GHADMP Cn1ccc(C[N@@H+]2CCCC23CCN([C@H]2CCC[C@@H](C(F)(F)F)C2)CC3)n1 ZINC001255716538 1041242926 /nfs/dbraw/zinc/24/29/26/1041242926.db2.gz MVZAIIPXJHHULT-AEFFLSMTSA-N 2 1 384.490 3.972 20 0 GHADMP FC(F)(F)c1ccc2c(c1)C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001235758095 1041247237 /nfs/dbraw/zinc/24/72/37/1041247237.db2.gz CQYYAFSAENIBLX-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP FC(F)(F)c1ccc2c(c1)C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001235758095 1041247259 /nfs/dbraw/zinc/24/72/59/1041247259.db2.gz CQYYAFSAENIBLX-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)CSc3ccc(C)cc3)CC2)C1 ZINC001255770883 1041285896 /nfs/dbraw/zinc/28/58/96/1041285896.db2.gz PNVWUOSMIGFZDO-RBUKOAKNSA-N 2 1 390.593 3.825 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)CSc3ccc(C)cc3)CC2)C1 ZINC001255770883 1041285914 /nfs/dbraw/zinc/28/59/14/1041285914.db2.gz PNVWUOSMIGFZDO-RBUKOAKNSA-N 2 1 390.593 3.825 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001255789503 1041295252 /nfs/dbraw/zinc/29/52/52/1041295252.db2.gz CIZHUDOVQGAASA-JOCHJYFZSA-N 2 1 393.575 3.936 20 0 GHADMP COc1ccccc1Oc1cccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)c1 ZINC001235820712 1041338891 /nfs/dbraw/zinc/33/88/91/1041338891.db2.gz SURAVBIWIVBWJX-UHFFFAOYSA-N 2 1 395.547 3.747 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255903196 1041384506 /nfs/dbraw/zinc/38/45/06/1041384506.db2.gz GOMYMOFVPYLWPO-UFYCRDLUSA-N 2 1 388.556 3.553 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C1 ZINC001255904547 1041386678 /nfs/dbraw/zinc/38/66/78/1041386678.db2.gz ZGGJECRUXXZGCI-IBGZPJMESA-N 2 1 391.531 3.561 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2F ZINC001255959949 1041438411 /nfs/dbraw/zinc/43/84/11/1041438411.db2.gz QCFQEUIPWIFQHW-WAOWUJCRSA-N 2 1 385.568 3.778 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2F ZINC001255959949 1041438423 /nfs/dbraw/zinc/43/84/23/1041438423.db2.gz QCFQEUIPWIFQHW-WAOWUJCRSA-N 2 1 385.568 3.778 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001255961900 1041441449 /nfs/dbraw/zinc/44/14/49/1041441449.db2.gz YLWVHCXBESSXAU-IBGZPJMESA-N 2 1 379.614 3.535 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CC1)c1ccccc1N(CC1CC1)C2=O ZINC001255962959 1041444223 /nfs/dbraw/zinc/44/42/23/1041444223.db2.gz LWEFYNYWAQCDEC-IBGZPJMESA-N 2 1 383.580 3.897 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)s2)cc1 ZINC001235941254 1041447879 /nfs/dbraw/zinc/44/78/79/1041447879.db2.gz VEJINJUELJJCLB-KGLIPLIRSA-N 2 1 378.339 3.614 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)s2)cc1 ZINC001235941254 1041447882 /nfs/dbraw/zinc/44/78/82/1041447882.db2.gz VEJINJUELJJCLB-KGLIPLIRSA-N 2 1 378.339 3.614 20 0 GHADMP COCC[N@H+](Cc1ccc(-c2ccc(Br)cc2)o1)C1CC[NH2+]CC1 ZINC001235945180 1041452042 /nfs/dbraw/zinc/45/20/42/1041452042.db2.gz UODAAONPJFQLPR-UHFFFAOYSA-N 2 1 393.325 3.910 20 0 GHADMP COCC[N@@H+](Cc1ccc(-c2ccc(Br)cc2)o1)C1CC[NH2+]CC1 ZINC001235945180 1041452048 /nfs/dbraw/zinc/45/20/48/1041452048.db2.gz UODAAONPJFQLPR-UHFFFAOYSA-N 2 1 393.325 3.910 20 0 GHADMP Clc1ccc([C@@H]2CC[N@@H+](Cc3cnc4cc(C5CC[NH2+]CC5)nn4c3)C2)cc1 ZINC001235947371 1041454610 /nfs/dbraw/zinc/45/46/10/1041454610.db2.gz IWRHVNZDRIGAGH-LJQANCHMSA-N 2 1 395.938 3.839 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC001235957267 1041464901 /nfs/dbraw/zinc/46/49/01/1041464901.db2.gz LODXJZWCAVDZOR-LBPRGKRZSA-N 2 1 381.236 3.779 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@H]1CCC[NH2+]C1 ZINC001235957267 1041464907 /nfs/dbraw/zinc/46/49/07/1041464907.db2.gz LODXJZWCAVDZOR-LBPRGKRZSA-N 2 1 381.236 3.779 20 0 GHADMP CCOc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1OC(C)=O ZINC001235972784 1041477730 /nfs/dbraw/zinc/47/77/30/1041477730.db2.gz BNEVGAGSYRUIDQ-UHFFFAOYSA-N 2 1 394.515 3.648 20 0 GHADMP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069335 1041505032 /nfs/dbraw/zinc/50/50/32/1041505032.db2.gz AROPKGUQKCNGQP-NRFANRHFSA-N 2 1 385.552 3.565 20 0 GHADMP Brc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)c1 ZINC001256072890 1041508482 /nfs/dbraw/zinc/50/84/82/1041508482.db2.gz ZOBJNRHQZVYNPE-UHFFFAOYSA-N 2 1 379.342 3.671 20 0 GHADMP CCCCCCc1csc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)c1 ZINC001236035801 1041511220 /nfs/dbraw/zinc/51/12/20/1041511220.db2.gz LWSXLLHJHMYHAI-KHHDVDEJSA-N 2 1 390.593 3.701 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)cc(C)c1OCc1ccccc1 ZINC001236079190 1041524203 /nfs/dbraw/zinc/52/42/03/1041524203.db2.gz LYOZCMYNAASAMW-DEOSSOPVSA-N 2 1 393.575 3.737 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@@H]1CCC[C@H](c3ccccc3)C1)CCC2 ZINC001256119138 1041551983 /nfs/dbraw/zinc/55/19/83/1041551983.db2.gz PCUFZLWTWCRSSV-FCHUYYIVSA-N 2 1 396.579 3.893 20 0 GHADMP C[N@@H+](Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1)C(C)(C)Cc1ccccc1 ZINC001236154888 1041577698 /nfs/dbraw/zinc/57/76/98/1041577698.db2.gz FKPYMKGRIBMHRA-UHFFFAOYSA-N 2 1 377.536 3.649 20 0 GHADMP C[N@@H+](Cc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236221996 1041630155 /nfs/dbraw/zinc/63/01/55/1041630155.db2.gz JCLOUGCCTMPLMJ-WGSAOQKQSA-N 2 1 397.544 3.580 20 0 GHADMP C[N@@H+](Cc1cc(Br)cc(Br)c1)C1(C)CC[NH2+]CC1 ZINC001236226112 1041632657 /nfs/dbraw/zinc/63/26/57/1041632657.db2.gz IQPGCEYOJSWMCV-UHFFFAOYSA-N 2 1 376.136 3.786 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+](Cc3ccccc3)C3CCC([NH3+])CC3)c2)CC1 ZINC001236228457 1041633729 /nfs/dbraw/zinc/63/37/29/1041633729.db2.gz MJIFLJRCXWFPCR-UHFFFAOYSA-N 3 1 392.591 3.711 20 0 GHADMP CN1CCN(c2cccc(C[N@H+](Cc3ccccc3)C3CCC([NH3+])CC3)c2)CC1 ZINC001236228457 1041633744 /nfs/dbraw/zinc/63/37/44/1041633744.db2.gz MJIFLJRCXWFPCR-UHFFFAOYSA-N 2 1 392.591 3.711 20 0 GHADMP CN1CCN(c2cccc(C[N@@H+](Cc3ccccc3)C3CCC([NH3+])CC3)c2)CC1 ZINC001236228457 1041633750 /nfs/dbraw/zinc/63/37/50/1041633750.db2.gz MJIFLJRCXWFPCR-UHFFFAOYSA-N 2 1 392.591 3.711 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001236235935 1041637578 /nfs/dbraw/zinc/63/75/78/1041637578.db2.gz HCTVGRXDKZUQAP-QIJUGHKUSA-N 2 1 399.579 3.571 20 0 GHADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001236313857 1041667437 /nfs/dbraw/zinc/66/74/37/1041667437.db2.gz BHDYNQQTXDWSDC-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236382040 1041691747 /nfs/dbraw/zinc/69/17/47/1041691747.db2.gz NMSGRNSQXGURIO-UHFFFAOYSA-N 2 1 388.483 3.550 20 0 GHADMP CCOc1cc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(F)cn1 ZINC001236385091 1041692383 /nfs/dbraw/zinc/69/23/83/1041692383.db2.gz NQRWDDQRRARCGD-UHFFFAOYSA-N 2 1 375.463 3.760 20 0 GHADMP CCOc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(F)cn1 ZINC001236385091 1041692386 /nfs/dbraw/zinc/69/23/86/1041692386.db2.gz NQRWDDQRRARCGD-UHFFFAOYSA-N 2 1 375.463 3.760 20 0 GHADMP Cn1c(Br)ccc1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236384907 1041692643 /nfs/dbraw/zinc/69/26/43/1041692643.db2.gz JEXWPCNBEGBAIT-UHFFFAOYSA-N 2 1 394.332 3.929 20 0 GHADMP COc1nc(Cl)ccc1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236384856 1041692703 /nfs/dbraw/zinc/69/27/03/1041692703.db2.gz GTXDJTFODOVYME-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COc1ccc2[nH]c(C[N@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)nc2c1 ZINC001236385877 1041693317 /nfs/dbraw/zinc/69/33/17/1041693317.db2.gz IZLJOCQMXWVETG-UHFFFAOYSA-N 2 1 382.483 3.712 20 0 GHADMP c1cc(-c2ccccc2)sc1C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236400743 1041702846 /nfs/dbraw/zinc/70/28/46/1041702846.db2.gz KPSIBTGRKRRGKI-UHFFFAOYSA-N 2 1 399.604 3.549 20 0 GHADMP CC[N@H+](Cc1ccc(Br)cc1N1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC001236407078 1041703251 /nfs/dbraw/zinc/70/32/51/1041703251.db2.gz BNBIXVIWJYXBDP-INIZCTEOSA-N 2 1 380.374 3.871 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236406679 1041703331 /nfs/dbraw/zinc/70/33/31/1041703331.db2.gz DTKGAIRLOVDOON-MDZDMXLPSA-N 2 1 382.479 3.766 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236406679 1041703337 /nfs/dbraw/zinc/70/33/37/1041703337.db2.gz DTKGAIRLOVDOON-MDZDMXLPSA-N 2 1 382.479 3.766 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236536836 1041755726 /nfs/dbraw/zinc/75/57/26/1041755726.db2.gz JWHHGJAMEYKSPQ-MEMLXQNLSA-N 2 1 384.495 3.813 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236550516 1041758369 /nfs/dbraw/zinc/75/83/69/1041758369.db2.gz JTOIHNSVPGIPKR-QAQDUYKDSA-N 2 1 395.341 3.718 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(Br)c3nsnc32)CC2CC2)CC1 ZINC001236552401 1041759876 /nfs/dbraw/zinc/75/98/76/1041759876.db2.gz URWCZADLBJGKPI-HDJSIYSDSA-N 2 1 395.370 3.936 20 0 GHADMP CC[NH+]1CCC(c2ccc(-c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001236561836 1041763223 /nfs/dbraw/zinc/76/32/23/1041763223.db2.gz RDCIQUIYMCPHGI-UHFFFAOYSA-N 2 1 391.559 3.941 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236566676 1041765169 /nfs/dbraw/zinc/76/51/69/1041765169.db2.gz AERFMAOFOAYZEI-AFARHQOCSA-N 3 1 384.612 3.843 20 0 GHADMP CN1CCN(c2ccccc2C[N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236566676 1041765173 /nfs/dbraw/zinc/76/51/73/1041765173.db2.gz AERFMAOFOAYZEI-AFARHQOCSA-N 2 1 384.612 3.843 20 0 GHADMP CN1CCN(c2ccccc2C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236566676 1041765180 /nfs/dbraw/zinc/76/51/80/1041765180.db2.gz AERFMAOFOAYZEI-AFARHQOCSA-N 2 1 384.612 3.843 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(I)c2)C2CCC2)CC1 ZINC001236571824 1041765550 /nfs/dbraw/zinc/76/55/50/1041765550.db2.gz HUZDWZCZOUQXTC-JCNLHEQBSA-N 2 1 384.305 3.916 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2c3c(ccc2Br)OCO3)C2CCC2)CC1 ZINC001236572694 1041766872 /nfs/dbraw/zinc/76/68/72/1041766872.db2.gz QUEXOJSYOKQXGV-MQMHXKEQSA-N 2 1 381.314 3.802 20 0 GHADMP Cc1cnccc1O[C@H]1CCN(Cc2cc(Br)ccc2N(C)C)C1 ZINC001236707865 1041845052 /nfs/dbraw/zinc/84/50/52/1041845052.db2.gz OCRUBWCXKZOGHJ-KRWDZBQOSA-N 2 1 390.325 3.872 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709561 1041847138 /nfs/dbraw/zinc/84/71/38/1041847138.db2.gz IWKYAAFKIDKPRZ-HZCBDIJESA-N 2 1 396.531 3.683 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2ccccc2-n2cncn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723237 1041857588 /nfs/dbraw/zinc/85/75/88/1041857588.db2.gz QWQRXQTYTJRLLT-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236741843 1041868526 /nfs/dbraw/zinc/86/85/26/1041868526.db2.gz UCPZLWKDAXGBRT-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc(F)c4ccoc43)CC[C@@H]21 ZINC001236892958 1041942839 /nfs/dbraw/zinc/94/28/39/1041942839.db2.gz IBBKCWGNVFOOFV-LQWHRVPQSA-N 2 1 397.498 3.537 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(F)c4ccoc43)CC[C@@H]21 ZINC001236892958 1041942840 /nfs/dbraw/zinc/94/28/40/1041942840.db2.gz IBBKCWGNVFOOFV-LQWHRVPQSA-N 2 1 397.498 3.537 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(F)c4ccoc43)CC[C@@H]21 ZINC001236892958 1041942843 /nfs/dbraw/zinc/94/28/43/1041942843.db2.gz IBBKCWGNVFOOFV-LQWHRVPQSA-N 2 1 397.498 3.537 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(F)c4ccoc43)CC[C@@H]21 ZINC001236892958 1041942846 /nfs/dbraw/zinc/94/28/46/1041942846.db2.gz IBBKCWGNVFOOFV-LQWHRVPQSA-N 2 1 397.498 3.537 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(F)c4ccoc43)CC[C@@H]21 ZINC001236892958 1041942851 /nfs/dbraw/zinc/94/28/51/1041942851.db2.gz IBBKCWGNVFOOFV-LQWHRVPQSA-N 2 1 397.498 3.537 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3cccc(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001236893996 1041943318 /nfs/dbraw/zinc/94/33/18/1041943318.db2.gz POOLUPRSDVKFJI-JOCHJYFZSA-N 2 1 393.575 3.902 20 0 GHADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1Cl)C2 ZINC001236916100 1041956347 /nfs/dbraw/zinc/95/63/47/1041956347.db2.gz AHSGAUDWHYHVQC-AZUAARDMSA-N 2 1 375.900 3.686 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001236951708 1041968660 /nfs/dbraw/zinc/96/86/60/1041968660.db2.gz ZWEQYMCFEYAPIV-SFHVURJKSA-N 2 1 375.513 3.711 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)ccc2F)CC1 ZINC001236963806 1041971106 /nfs/dbraw/zinc/97/11/06/1041971106.db2.gz NAYPSSRSSNHIAH-NRFANRHFSA-N 2 1 383.511 3.621 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)ccc2F)CC1 ZINC001236963806 1041971111 /nfs/dbraw/zinc/97/11/11/1041971111.db2.gz NAYPSSRSSNHIAH-NRFANRHFSA-N 2 1 383.511 3.621 20 0 GHADMP Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236965397 1041972044 /nfs/dbraw/zinc/97/20/44/1041972044.db2.gz XYRZXSAFDJLSLJ-HXUWFJFHSA-N 2 1 383.511 3.539 20 0 GHADMP Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236965397 1041972046 /nfs/dbraw/zinc/97/20/46/1041972046.db2.gz XYRZXSAFDJLSLJ-HXUWFJFHSA-N 2 1 383.511 3.539 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001237058718 1042014610 /nfs/dbraw/zinc/01/46/10/1042014610.db2.gz RMSGGYUMGDABLR-RUZDIDTESA-N 3 1 392.591 3.570 20 0 GHADMP C[C@]1(C[NH3+])CCCN(Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001237058718 1042014619 /nfs/dbraw/zinc/01/46/19/1042014619.db2.gz RMSGGYUMGDABLR-RUZDIDTESA-N 2 1 392.591 3.570 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1I ZINC001237082855 1042027454 /nfs/dbraw/zinc/02/74/54/1042027454.db2.gz YCUOWUAILNMHPF-YOGCLGLASA-N 2 1 390.696 3.646 20 0 GHADMP C[N@H+](Cc1cc(OC(F)F)ccc1Br)CC1CC[NH+](C)CC1 ZINC001237232626 1042098617 /nfs/dbraw/zinc/09/86/17/1042098617.db2.gz BIRYLVYZDZEDLA-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3ccc(CN4CCOCC4)cc3)CC[C@H]1N2 ZINC001237237834 1042100915 /nfs/dbraw/zinc/10/09/15/1042100915.db2.gz YADRIEURRQJZNY-FYYLOGMGSA-N 2 1 397.950 3.956 20 0 GHADMP Clc1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@H]1N2 ZINC001237237834 1042100919 /nfs/dbraw/zinc/10/09/19/1042100919.db2.gz YADRIEURRQJZNY-FYYLOGMGSA-N 2 1 397.950 3.956 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237256735 1042110136 /nfs/dbraw/zinc/11/01/36/1042110136.db2.gz ARFDDHSHJFPOGK-KBRIMQKVSA-N 2 1 387.312 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237256735 1042110138 /nfs/dbraw/zinc/11/01/38/1042110138.db2.gz ARFDDHSHJFPOGK-KBRIMQKVSA-N 2 1 387.312 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237256735 1042110142 /nfs/dbraw/zinc/11/01/42/1042110142.db2.gz ARFDDHSHJFPOGK-KBRIMQKVSA-N 2 1 387.312 3.947 20 0 GHADMP COc1cc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1C(F)F ZINC001237270748 1042115771 /nfs/dbraw/zinc/11/57/71/1042115771.db2.gz UVLIKWIFGLSRBH-NRFANRHFSA-N 2 1 382.495 3.956 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001237410739 1042196361 /nfs/dbraw/zinc/19/63/61/1042196361.db2.gz NXUHQOGLMPOWNT-UHFFFAOYSA-N 2 1 393.531 3.512 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001237414736 1042197800 /nfs/dbraw/zinc/19/78/00/1042197800.db2.gz NNVKJZVUOMMRFL-VXKWHMMOSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237414736 1042197801 /nfs/dbraw/zinc/19/78/01/1042197801.db2.gz NNVKJZVUOMMRFL-VXKWHMMOSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237414736 1042197806 /nfs/dbraw/zinc/19/78/06/1042197806.db2.gz NNVKJZVUOMMRFL-VXKWHMMOSA-N 2 1 377.532 3.989 20 0 GHADMP COc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)n1 ZINC001237879094 1042406669 /nfs/dbraw/zinc/40/66/69/1042406669.db2.gz JHEMPTWQURVXOY-IBGZPJMESA-N 2 1 394.519 3.530 20 0 GHADMP Cc1sccc1CN1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001237973264 1042441395 /nfs/dbraw/zinc/44/13/95/1042441395.db2.gz BMJRBTGHBCTEHC-QGZVFWFLSA-N 2 1 379.570 3.620 20 0 GHADMP Fc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccc5cncn54)C3)C2)c1 ZINC001238104188 1042493882 /nfs/dbraw/zinc/49/38/82/1042493882.db2.gz MOULWLXQZBSWGB-HSZRJFAPSA-N 2 1 394.494 3.592 20 0 GHADMP Fc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cccc5c[nH+]cn54)C3)C2)c1 ZINC001238104188 1042493885 /nfs/dbraw/zinc/49/38/85/1042493885.db2.gz MOULWLXQZBSWGB-HSZRJFAPSA-N 2 1 394.494 3.592 20 0 GHADMP Cn1nncc1C[N@H+]1CCCCC2(C1)CCC[NH+](Cc1ccccc1)CCC2 ZINC001238156766 1042507089 /nfs/dbraw/zinc/50/70/89/1042507089.db2.gz XVEYHITWWIAQKN-UHFFFAOYSA-N 2 1 381.568 3.864 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(F)c1O ZINC001238362922 1042569790 /nfs/dbraw/zinc/56/97/90/1042569790.db2.gz XKLYUWJTCQJNPK-UHFFFAOYSA-N 2 1 399.510 3.812 20 0 GHADMP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001462633273 1070430403 /nfs/dbraw/zinc/43/04/03/1070430403.db2.gz GUNAJIYXHMBWBS-AJSBUHFISA-N 2 1 380.532 3.804 20 0 GHADMP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001462633273 1070430407 /nfs/dbraw/zinc/43/04/07/1070430407.db2.gz GUNAJIYXHMBWBS-AJSBUHFISA-N 2 1 380.532 3.804 20 0 GHADMP CC[NH+](CC)Cc1cc(OC)ccc1-c1cccc(CN2CC[NH+](C)CC2)c1 ZINC001240305707 1042920239 /nfs/dbraw/zinc/92/02/39/1042920239.db2.gz QBRSQLRHRZNLMX-UHFFFAOYSA-N 2 1 381.564 3.951 20 0 GHADMP C[NH+](C)CCOc1ccc(-c2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)cc1F ZINC001240597007 1042945379 /nfs/dbraw/zinc/94/53/79/1042945379.db2.gz ZTKZILWEQXCFRD-UHFFFAOYSA-N 2 1 397.538 3.670 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528561 1043457603 /nfs/dbraw/zinc/45/76/03/1043457603.db2.gz HCRNQSWKMFCWTM-RLLQIKCJSA-N 2 1 375.557 3.932 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256528561 1043457613 /nfs/dbraw/zinc/45/76/13/1043457613.db2.gz HCRNQSWKMFCWTM-RLLQIKCJSA-N 2 1 375.557 3.932 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cn21 ZINC001256530246 1043460854 /nfs/dbraw/zinc/46/08/54/1043460854.db2.gz AOKNNYRQEPNGRJ-WIYYLYMNSA-N 2 1 377.536 3.995 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cn21 ZINC001256530246 1043460865 /nfs/dbraw/zinc/46/08/65/1043460865.db2.gz AOKNNYRQEPNGRJ-WIYYLYMNSA-N 2 1 377.536 3.995 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530936 1043463901 /nfs/dbraw/zinc/46/39/01/1043463901.db2.gz QIBQGROOJSHTSQ-REWPJTCUSA-N 2 1 378.564 3.941 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530936 1043463915 /nfs/dbraw/zinc/46/39/15/1043463915.db2.gz QIBQGROOJSHTSQ-REWPJTCUSA-N 2 1 378.564 3.941 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256532489 1043467316 /nfs/dbraw/zinc/46/73/16/1043467316.db2.gz IZYZICXPSNYZQM-UGKGYDQZSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256532489 1043467330 /nfs/dbraw/zinc/46/73/30/1043467330.db2.gz IZYZICXPSNYZQM-UGKGYDQZSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256534990 1043472306 /nfs/dbraw/zinc/47/23/06/1043472306.db2.gz VVWMZUOFQFVJOG-DENIHFKCSA-N 2 1 392.547 3.741 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256534990 1043472308 /nfs/dbraw/zinc/47/23/08/1043472308.db2.gz VVWMZUOFQFVJOG-DENIHFKCSA-N 2 1 392.547 3.741 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256537258 1043484314 /nfs/dbraw/zinc/48/43/14/1043484314.db2.gz NHLNPYAKZJTKHX-SIKLNZKXSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256537258 1043484335 /nfs/dbraw/zinc/48/43/35/1043484335.db2.gz NHLNPYAKZJTKHX-SIKLNZKXSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C[NH+]1CCCCC1 ZINC001291849162 1043500824 /nfs/dbraw/zinc/50/08/24/1043500824.db2.gz CUEXBVGHBNEMFE-RBBKRZOGSA-N 2 1 383.580 3.527 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256548576 1043509772 /nfs/dbraw/zinc/50/97/72/1043509772.db2.gz BKCWVLYRMCDHFR-NFBKMPQASA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256548576 1043509782 /nfs/dbraw/zinc/50/97/82/1043509782.db2.gz BKCWVLYRMCDHFR-NFBKMPQASA-N 2 1 383.580 3.907 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548525 1043509979 /nfs/dbraw/zinc/50/99/79/1043509979.db2.gz YOGGEPJINSCSCH-WTIAFYNJSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548525 1043509986 /nfs/dbraw/zinc/50/99/86/1043509986.db2.gz YOGGEPJINSCSCH-WTIAFYNJSA-N 2 1 395.591 3.810 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001256557643 1043530811 /nfs/dbraw/zinc/53/08/11/1043530811.db2.gz NXEIJMLIMAMZKQ-TZIWHRDSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001256557643 1043530821 /nfs/dbraw/zinc/53/08/21/1043530821.db2.gz NXEIJMLIMAMZKQ-TZIWHRDSSA-N 2 1 380.536 3.681 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256570533 1043542425 /nfs/dbraw/zinc/54/24/25/1043542425.db2.gz MFUGELNEPKYMAO-UHFFFAOYSA-N 2 1 396.579 3.928 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256570533 1043542433 /nfs/dbraw/zinc/54/24/33/1043542433.db2.gz MFUGELNEPKYMAO-UHFFFAOYSA-N 2 1 396.579 3.928 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256605713 1043568641 /nfs/dbraw/zinc/56/86/41/1043568641.db2.gz KYQHISMYBPSCMR-PZJWPPBQSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256605713 1043568644 /nfs/dbraw/zinc/56/86/44/1043568644.db2.gz KYQHISMYBPSCMR-PZJWPPBQSA-N 2 1 385.552 3.592 20 0 GHADMP CCCCCC[C@](CC)([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(=O)OCC ZINC001256686764 1043622507 /nfs/dbraw/zinc/62/25/07/1043622507.db2.gz DCJZHCRQFIRKRJ-AOMIVXANSA-N 2 1 382.589 3.902 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808114 1043664795 /nfs/dbraw/zinc/66/47/95/1043664795.db2.gz DSMDISNRPOJEQJ-NAVOZUGXSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808114 1043664800 /nfs/dbraw/zinc/66/48/00/1043664800.db2.gz DSMDISNRPOJEQJ-NAVOZUGXSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808114 1043664809 /nfs/dbraw/zinc/66/48/09/1043664809.db2.gz DSMDISNRPOJEQJ-NAVOZUGXSA-N 2 1 384.564 3.587 20 0 GHADMP c1ccc(CN2CC3(C2)CCC[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001256865308 1043710374 /nfs/dbraw/zinc/71/03/74/1043710374.db2.gz XFUQPHHVLDMKPI-UHFFFAOYSA-N 2 1 376.548 3.648 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256894537 1043728294 /nfs/dbraw/zinc/72/82/94/1043728294.db2.gz LBSMYHQVSMNVLC-UMGGQSCQSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256894537 1043728303 /nfs/dbraw/zinc/72/83/03/1043728303.db2.gz LBSMYHQVSMNVLC-UMGGQSCQSA-N 2 1 377.573 3.629 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001257067548 1043827922 /nfs/dbraw/zinc/82/79/22/1043827922.db2.gz FRZLYADOGDJENG-FXAWDEMLSA-N 2 1 378.944 3.968 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001257067548 1043827933 /nfs/dbraw/zinc/82/79/33/1043827933.db2.gz FRZLYADOGDJENG-FXAWDEMLSA-N 2 1 378.944 3.968 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001257071002 1043831944 /nfs/dbraw/zinc/83/19/44/1043831944.db2.gz ZGGNATYHDGJEPT-QFBILLFUSA-N 2 1 398.469 3.991 20 0 GHADMP CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257216365 1043940438 /nfs/dbraw/zinc/94/04/38/1043940438.db2.gz KYXGSYZPEJXNQU-JOCHJYFZSA-N 2 1 383.580 3.730 20 0 GHADMP CCC[C@H](C)[NH+]1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001257322462 1043965098 /nfs/dbraw/zinc/96/50/98/1043965098.db2.gz VAYXOGSMJWGQPN-LEWJYISDSA-N 2 1 397.607 3.860 20 0 GHADMP COC1CC[NH+](C2CC[NH+]([C@H](C)Cc3ccc(Br)cc3)CC2)CC1 ZINC001257566797 1044051959 /nfs/dbraw/zinc/05/19/59/1044051959.db2.gz HAZAZGLBTYDRIT-MRXNPFEDSA-N 2 1 395.385 3.955 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C[C@H]3C[C@@H](C1)CN(C(=O)OC(C)(C)C)C3)C2 ZINC001257841626 1044215730 /nfs/dbraw/zinc/21/57/30/1044215730.db2.gz WCDCCFQFSJLCSI-XIQSSRBTSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1C[C@H]3C[C@@H](C1)CN(C(=O)OC(C)(C)C)C3)C2 ZINC001257841626 1044215739 /nfs/dbraw/zinc/21/57/39/1044215739.db2.gz WCDCCFQFSJLCSI-XIQSSRBTSA-N 2 1 377.573 3.627 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001293627085 1044271710 /nfs/dbraw/zinc/27/17/10/1044271710.db2.gz VDTWNSKHYLYDIN-OAQYLSRUSA-N 2 1 376.504 3.685 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)nn3)CC2)C1 ZINC001279076033 1044402497 /nfs/dbraw/zinc/40/24/97/1044402497.db2.gz IQZRWPHXXYCZIB-UHFFFAOYSA-N 2 1 391.972 3.773 20 0 GHADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)nn3)CC2)C1 ZINC001279076033 1044402504 /nfs/dbraw/zinc/40/25/04/1044402504.db2.gz IQZRWPHXXYCZIB-UHFFFAOYSA-N 2 1 391.972 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C)(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258131182 1044416626 /nfs/dbraw/zinc/41/66/26/1044416626.db2.gz FIKLXSQNQTUCMT-UHFFFAOYSA-N 2 1 387.568 3.540 20 0 GHADMP COCCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC001258137618 1044422065 /nfs/dbraw/zinc/42/20/65/1044422065.db2.gz JMKHXIZENLZKSG-UHFFFAOYSA-N 2 1 386.511 3.648 20 0 GHADMP C[C@@H]1CC([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)C[C@@H](C)C1 ZINC001258166580 1044449626 /nfs/dbraw/zinc/44/96/26/1044449626.db2.gz WWDJZKFWWWXDAQ-HYYNZMQPSA-N 2 1 378.601 3.791 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)cc1 ZINC001258389654 1044530133 /nfs/dbraw/zinc/53/01/33/1044530133.db2.gz SESQVYUVLCJIBO-GENZYMQKSA-N 2 1 376.541 3.588 20 0 GHADMP CSc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c(Cl)n1 ZINC001279099629 1044563659 /nfs/dbraw/zinc/56/36/59/1044563659.db2.gz FNNGZTPJSPVXOV-UHFFFAOYSA-N 2 1 391.972 3.668 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258570247 1044648187 /nfs/dbraw/zinc/64/81/87/1044648187.db2.gz LBEQLJTYWNIMER-OAQYLSRUSA-N 2 1 392.547 3.530 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)[nH+]1 ZINC001258595192 1044664097 /nfs/dbraw/zinc/66/40/97/1044664097.db2.gz ZJTGKCZCVQYZRB-OAQYLSRUSA-N 2 1 392.547 3.530 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258605410 1044667627 /nfs/dbraw/zinc/66/76/27/1044667627.db2.gz IEEYSWCHTCWHPG-LJQANCHMSA-N 2 1 383.580 3.816 20 0 GHADMP CCC[NH+]1CCC(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)CC1 ZINC001258773684 1044758904 /nfs/dbraw/zinc/75/89/04/1044758904.db2.gz MTAAMXIWRQJSOX-UHFFFAOYSA-N 2 1 376.614 3.756 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC001258856132 1044795486 /nfs/dbraw/zinc/79/54/86/1044795486.db2.gz WAIJEFBKFFCYJY-UYAOXDASSA-N 2 1 398.547 3.755 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001258875304 1044820332 /nfs/dbraw/zinc/82/03/32/1044820332.db2.gz AQUYBLBVWOJMKC-QGZVFWFLSA-N 2 1 378.557 3.840 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258911021 1044866491 /nfs/dbraw/zinc/86/64/91/1044866491.db2.gz ZAAKEZVIPAGMLY-SIKLNZKXSA-N 2 1 397.604 3.599 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001297605262 1045586054 /nfs/dbraw/zinc/58/60/54/1045586054.db2.gz HQGWDIKASGLITD-ICSRJNTNSA-N 2 1 377.598 3.601 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001297605262 1045586064 /nfs/dbraw/zinc/58/60/64/1045586064.db2.gz HQGWDIKASGLITD-ICSRJNTNSA-N 2 1 377.598 3.601 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001297605262 1045586073 /nfs/dbraw/zinc/58/60/73/1045586073.db2.gz HQGWDIKASGLITD-ICSRJNTNSA-N 2 1 377.598 3.601 20 0 GHADMP CC(C)N(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000381792828 1046999634 /nfs/dbraw/zinc/99/96/34/1046999634.db2.gz MTIHQDHJPVIILB-UHFFFAOYSA-N 2 1 375.557 3.886 20 0 GHADMP CCN(C(=O)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)[C@H](C)c1ccc(F)cc1 ZINC000590933569 1047252533 /nfs/dbraw/zinc/25/25/33/1047252533.db2.gz VBMGCIGLNQPQCQ-RTBURBONSA-N 2 1 398.526 3.873 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001303368075 1047373070 /nfs/dbraw/zinc/37/30/70/1047373070.db2.gz IHFXVTRHHHDOOK-NRFANRHFSA-N 2 1 387.543 3.657 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001303368075 1047373077 /nfs/dbraw/zinc/37/30/77/1047373077.db2.gz IHFXVTRHHHDOOK-NRFANRHFSA-N 2 1 387.543 3.657 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1c(Cl)cccc1C(F)(F)F)C2 ZINC001279143992 1047730787 /nfs/dbraw/zinc/73/07/87/1047730787.db2.gz ZZDULEKOZCYAOJ-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1c(Cl)cccc1C(F)(F)F)C2 ZINC001279143992 1047730792 /nfs/dbraw/zinc/73/07/92/1047730792.db2.gz ZZDULEKOZCYAOJ-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC001279262122 1047750931 /nfs/dbraw/zinc/75/09/31/1047750931.db2.gz BCTGCBYKWLDNOQ-IZZQQSIFSA-N 2 1 377.598 3.943 20 0 GHADMP Fc1cc(Cl)ccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001279399121 1047794260 /nfs/dbraw/zinc/79/42/60/1047794260.db2.gz DIPAXHSAIMIAFW-UXHICEINSA-N 2 1 376.907 3.900 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cc(Cl)cs4)C[C@H]3CC2)n(C)n1 ZINC001279576609 1047844236 /nfs/dbraw/zinc/84/42/36/1047844236.db2.gz APUJIKICINBYNM-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)n(C)n1 ZINC001279576609 1047844246 /nfs/dbraw/zinc/84/42/46/1047844246.db2.gz APUJIKICINBYNM-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)n(C)n1 ZINC001279576609 1047844260 /nfs/dbraw/zinc/84/42/60/1047844260.db2.gz APUJIKICINBYNM-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)s1 ZINC001279583341 1047854790 /nfs/dbraw/zinc/85/47/90/1047854790.db2.gz VDQTUOPPUVLZOK-MQVJKMGUSA-N 2 1 376.595 3.864 20 0 GHADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)s1 ZINC001279583341 1047854802 /nfs/dbraw/zinc/85/48/02/1047854802.db2.gz VDQTUOPPUVLZOK-MQVJKMGUSA-N 2 1 376.595 3.864 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@]3(CC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279621543 1047871151 /nfs/dbraw/zinc/87/11/51/1047871151.db2.gz WNRXQXVPHYSGJH-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(CC[NH+]2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279621543 1047871160 /nfs/dbraw/zinc/87/11/60/1047871160.db2.gz WNRXQXVPHYSGJH-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(CC[NH+]2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279621543 1047871177 /nfs/dbraw/zinc/87/11/77/1047871177.db2.gz WNRXQXVPHYSGJH-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(CC[N@@H+]2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279621543 1047871184 /nfs/dbraw/zinc/87/11/84/1047871184.db2.gz WNRXQXVPHYSGJH-LJQANCHMSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279621543 1047871199 /nfs/dbraw/zinc/87/11/99/1047871199.db2.gz WNRXQXVPHYSGJH-LJQANCHMSA-N 2 1 375.523 3.849 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@H](CC(C)C)[NH+](C)C ZINC001305417687 1048037260 /nfs/dbraw/zinc/03/72/60/1048037260.db2.gz ZOWQPBRNCHMLDS-MUGJNUQGSA-N 2 1 392.636 3.687 20 0 GHADMP Cc1cc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(C)cc1Br ZINC001280109858 1048083222 /nfs/dbraw/zinc/08/32/22/1048083222.db2.gz IWWSIIFPCQEXCR-UHFFFAOYSA-N 2 1 394.401 3.525 20 0 GHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001306869287 1048936938 /nfs/dbraw/zinc/93/69/38/1048936938.db2.gz ZAJFHHXCQXQZKO-JOCHJYFZSA-N 2 1 397.563 3.761 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518730 1049361944 /nfs/dbraw/zinc/36/19/44/1049361944.db2.gz VVUPLTCDVXHSFZ-WOJBJXKFSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518730 1049361960 /nfs/dbraw/zinc/36/19/60/1049361960.db2.gz VVUPLTCDVXHSFZ-WOJBJXKFSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518730 1049361974 /nfs/dbraw/zinc/36/19/74/1049361974.db2.gz VVUPLTCDVXHSFZ-WOJBJXKFSA-N 2 1 379.589 3.687 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001307800304 1049598849 /nfs/dbraw/zinc/59/88/49/1049598849.db2.gz PWZHLYGKXUXXSX-TXTKFYIRSA-N 2 1 384.495 3.651 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307883228 1049663869 /nfs/dbraw/zinc/66/38/69/1049663869.db2.gz CMYFBFRYLVRBIR-SHBJFUFKSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307883228 1049663874 /nfs/dbraw/zinc/66/38/74/1049663874.db2.gz CMYFBFRYLVRBIR-SHBJFUFKSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307883228 1049663876 /nfs/dbraw/zinc/66/38/76/1049663876.db2.gz CMYFBFRYLVRBIR-SHBJFUFKSA-N 2 1 393.575 3.877 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925109 1049699851 /nfs/dbraw/zinc/69/98/51/1049699851.db2.gz MPMKBVXOYCTSJS-LADGPHEKSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925109 1049699860 /nfs/dbraw/zinc/69/98/60/1049699860.db2.gz MPMKBVXOYCTSJS-LADGPHEKSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925109 1049699866 /nfs/dbraw/zinc/69/98/66/1049699866.db2.gz MPMKBVXOYCTSJS-LADGPHEKSA-N 2 1 389.547 3.516 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001290153864 1049747270 /nfs/dbraw/zinc/74/72/70/1049747270.db2.gz OMZMYUBMKZPJAH-UHFFFAOYSA-N 2 1 379.548 3.698 20 0 GHADMP CC(C)C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC1CC[NH+](C)CC1 ZINC001308028737 1049779864 /nfs/dbraw/zinc/77/98/64/1049779864.db2.gz SRIAJARTNRBEHZ-HSZRJFAPSA-N 2 1 385.596 3.870 20 0 GHADMP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)c(C)c1 ZINC001308202524 1049911342 /nfs/dbraw/zinc/91/13/42/1049911342.db2.gz GNNFXTLQICGFCR-UHFFFAOYSA-N 2 1 381.564 3.821 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001308271470 1049932627 /nfs/dbraw/zinc/93/26/27/1049932627.db2.gz SNJPMCKYOZCBMK-FQEVSTJZSA-N 3 1 381.564 3.942 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001308432693 1049975021 /nfs/dbraw/zinc/97/50/21/1049975021.db2.gz MDRDUWAMAFGNDL-GOSISDBHSA-N 2 1 387.568 3.801 20 0 GHADMP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308522291 1049997848 /nfs/dbraw/zinc/99/78/48/1049997848.db2.gz BZQKRUAEZIVOBW-GOSISDBHSA-N 2 1 392.469 3.997 20 0 GHADMP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308522291 1049997851 /nfs/dbraw/zinc/99/78/51/1049997851.db2.gz BZQKRUAEZIVOBW-GOSISDBHSA-N 2 1 392.469 3.997 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001308546829 1050005252 /nfs/dbraw/zinc/00/52/52/1050005252.db2.gz SRCVJXQUYXKGMS-FSSWDIPSSA-N 2 1 399.579 3.824 20 0 GHADMP CC[N@@H+](CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001308850087 1050122980 /nfs/dbraw/zinc/12/29/80/1050122980.db2.gz FKNGNVUCQYGSPW-AVRDEDQJSA-N 2 1 379.589 3.878 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)CC1 ZINC001308913545 1050162407 /nfs/dbraw/zinc/16/24/07/1050162407.db2.gz RYLLVZPTOMLKTR-QFIPXVFZSA-N 2 1 381.605 3.981 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001308943384 1050202470 /nfs/dbraw/zinc/20/24/70/1050202470.db2.gz DRCVAGLGCBDNCF-YADHBBJMSA-N 2 1 399.579 3.699 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001308943384 1050202484 /nfs/dbraw/zinc/20/24/84/1050202484.db2.gz DRCVAGLGCBDNCF-YADHBBJMSA-N 2 1 399.579 3.699 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001308943384 1050202496 /nfs/dbraw/zinc/20/24/96/1050202496.db2.gz DRCVAGLGCBDNCF-YADHBBJMSA-N 2 1 399.579 3.699 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)c1 ZINC001327640825 1050239714 /nfs/dbraw/zinc/23/97/14/1050239714.db2.gz JTIRRRQSRNJQGG-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)c1 ZINC001327640825 1050239727 /nfs/dbraw/zinc/23/97/27/1050239727.db2.gz JTIRRRQSRNJQGG-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001327640825 1050239735 /nfs/dbraw/zinc/23/97/35/1050239735.db2.gz JTIRRRQSRNJQGG-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001327640825 1050239742 /nfs/dbraw/zinc/23/97/42/1050239742.db2.gz JTIRRRQSRNJQGG-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP c1nn(Cc2ccccc2)c2c1[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC001327681345 1050251988 /nfs/dbraw/zinc/25/19/88/1050251988.db2.gz YQQGNMISWQGOOH-FYYLOGMGSA-N 2 1 394.563 3.542 20 0 GHADMP CCC1([NH3+])CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC001332067983 1051452063 /nfs/dbraw/zinc/45/20/63/1051452063.db2.gz FRVPEEQELFPPOE-WOJBJXKFSA-N 2 1 397.588 3.694 20 0 GHADMP CCN(C(=O)c1ccc2c(c1)C[NH2+]CC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001332152841 1051467728 /nfs/dbraw/zinc/46/77/28/1051467728.db2.gz XINZVHGNEYMBGI-MBSDFSHPSA-N 2 1 377.532 3.630 20 0 GHADMP O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC001333581209 1051777077 /nfs/dbraw/zinc/77/70/77/1051777077.db2.gz CIBFMVDLKSVAMM-INIZCTEOSA-N 2 1 382.483 3.827 20 0 GHADMP O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC001333581209 1051777085 /nfs/dbraw/zinc/77/70/85/1051777085.db2.gz CIBFMVDLKSVAMM-INIZCTEOSA-N 2 1 382.483 3.827 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC001311537970 1052229834 /nfs/dbraw/zinc/22/98/34/1052229834.db2.gz SKDCCCXQYDYZPQ-TZIWHRDSSA-N 2 1 380.621 3.554 20 0 GHADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001311551132 1052238965 /nfs/dbraw/zinc/23/89/65/1052238965.db2.gz OBICSKQUMUKPMY-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001311572675 1052255423 /nfs/dbraw/zinc/25/54/23/1052255423.db2.gz SJXSYBHTTCOXEQ-TZIWHRDSSA-N 2 1 388.600 3.879 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC001311726490 1052358265 /nfs/dbraw/zinc/35/82/65/1052358265.db2.gz HEUMFSQYVJWVMX-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001311889438 1052459918 /nfs/dbraw/zinc/45/99/18/1052459918.db2.gz ZXEQCNVLXVEYOP-LJQANCHMSA-N 2 1 380.621 3.649 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312012073 1052527619 /nfs/dbraw/zinc/52/76/19/1052527619.db2.gz LNWVNAVYKZTDFQ-SFTDATJTSA-N 2 1 386.584 3.633 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC001312164253 1052608323 /nfs/dbraw/zinc/60/83/23/1052608323.db2.gz JYLBPMVSLUTBPW-QUCCMNQESA-N 2 1 392.975 3.649 20 0 GHADMP CC[NH+](CC)CC[C@@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001312641428 1052821268 /nfs/dbraw/zinc/82/12/68/1052821268.db2.gz AJWWFOPRANSNCS-RTWAWAEBSA-N 2 1 388.600 3.879 20 0 GHADMP CC[N@H+](CCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC001312964774 1052922145 /nfs/dbraw/zinc/92/21/45/1052922145.db2.gz XGJVRBOEXDERJY-QFIPXVFZSA-N 2 1 386.584 3.729 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC001312964774 1052922147 /nfs/dbraw/zinc/92/21/47/1052922147.db2.gz XGJVRBOEXDERJY-QFIPXVFZSA-N 2 1 386.584 3.729 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC001312964774 1052922151 /nfs/dbraw/zinc/92/21/51/1052922151.db2.gz XGJVRBOEXDERJY-QFIPXVFZSA-N 2 1 386.584 3.729 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC001312964774 1052922154 /nfs/dbraw/zinc/92/21/54/1052922154.db2.gz XGJVRBOEXDERJY-QFIPXVFZSA-N 2 1 386.584 3.729 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 ZINC001317958228 1054327593 /nfs/dbraw/zinc/32/75/93/1054327593.db2.gz IVRQHAWAZSMJET-NSCUHMNNSA-N 2 1 391.302 3.792 20 0 GHADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001344535835 1054550284 /nfs/dbraw/zinc/55/02/84/1054550284.db2.gz SYQKVBDXGIVLJF-ZEQRLZLVSA-N 2 1 392.591 3.953 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001320158818 1055681553 /nfs/dbraw/zinc/68/15/53/1055681553.db2.gz AHOFYCICPAURMC-WTNAPCKOSA-N 2 1 383.511 3.646 20 0 GHADMP Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001320692694 1055930390 /nfs/dbraw/zinc/93/03/90/1055930390.db2.gz ZKWRAJIFKWYRIF-QGZVFWFLSA-N 2 1 376.504 3.805 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)[NH+](C)C ZINC001324100869 1057070265 /nfs/dbraw/zinc/07/02/65/1057070265.db2.gz NALGAVJXPYBUBE-PTUXOGIPSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)[NH+](C)C ZINC001324100869 1057070269 /nfs/dbraw/zinc/07/02/69/1057070269.db2.gz NALGAVJXPYBUBE-PTUXOGIPSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1nc(-c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)s2)cs1 ZINC001355212196 1057084182 /nfs/dbraw/zinc/08/41/82/1057084182.db2.gz VWCQXXYHAADTOA-UHFFFAOYSA-N 2 1 399.545 3.579 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001326227292 1057438007 /nfs/dbraw/zinc/43/80/07/1057438007.db2.gz JRRDPZOSRYGKII-IRLDBZIGSA-N 2 1 383.580 3.588 20 0 GHADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326278020 1057445876 /nfs/dbraw/zinc/44/58/76/1057445876.db2.gz QDQMFODEJMIGGV-KRWDZBQOSA-N 2 1 390.597 3.663 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000848989510 1057493329 /nfs/dbraw/zinc/49/33/29/1057493329.db2.gz WCZDLJZUWYLWQR-KAGYGMCKSA-N 2 1 392.547 3.925 20 0 GHADMP CC(C)c1cccc(NC(=[NH2+])NC[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000849054469 1057564843 /nfs/dbraw/zinc/56/48/43/1057564843.db2.gz JCXFIUSYSGLKLA-LJQANCHMSA-N 2 1 385.581 3.796 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000849058805 1057570233 /nfs/dbraw/zinc/57/02/33/1057570233.db2.gz UKZPIELSRJYCBX-SFHVURJKSA-N 2 1 380.536 3.741 20 0 GHADMP CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000849061129 1057572622 /nfs/dbraw/zinc/57/26/22/1057572622.db2.gz RZEKNCLAXIAQMV-UHFFFAOYSA-N 2 1 393.579 3.695 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC001440736798 1058603158 /nfs/dbraw/zinc/60/31/58/1058603158.db2.gz HFZOMWAMHPWSLO-HYBUGGRVSA-N 2 1 393.575 3.503 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC001440736798 1058603168 /nfs/dbraw/zinc/60/31/68/1058603168.db2.gz HFZOMWAMHPWSLO-HYBUGGRVSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC001441533660 1058808302 /nfs/dbraw/zinc/80/83/02/1058808302.db2.gz XDLYBCLNKCCQIT-NJDAHSKKSA-N 2 1 385.596 3.709 20 0 GHADMP C[N@H+]1C[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC001441957065 1058895472 /nfs/dbraw/zinc/89/54/72/1058895472.db2.gz FOKNORORRUHKJF-RPWUZVMVSA-N 2 1 391.559 3.999 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001442090269 1058916422 /nfs/dbraw/zinc/91/64/22/1058916422.db2.gz VQRSLVIUHSIIMF-KIFXHHALSA-N 2 1 385.596 3.976 20 0 GHADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001443289731 1059097951 /nfs/dbraw/zinc/09/79/51/1059097951.db2.gz JCRSCAHQSBMHIO-XZOQPEGZSA-N 2 1 397.538 3.580 20 0 GHADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)C(C)(C)C ZINC001445194978 1059477803 /nfs/dbraw/zinc/47/78/03/1059477803.db2.gz WFZDZHQPBJKYOJ-OALUTQOASA-N 2 1 379.633 3.959 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001340033848 1059638165 /nfs/dbraw/zinc/63/81/65/1059638165.db2.gz OTMXYEKNWWQCJI-INIZCTEOSA-N 2 1 397.485 3.609 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001446258192 1059737567 /nfs/dbraw/zinc/73/75/67/1059737567.db2.gz MXIWOMNJKRANJD-IFMALSPDSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102358 1059928225 /nfs/dbraw/zinc/92/82/25/1059928225.db2.gz DDTKYLVOPYRYOC-ZWOKBUDYSA-N 2 1 395.950 3.710 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102358 1059928229 /nfs/dbraw/zinc/92/82/29/1059928229.db2.gz DDTKYLVOPYRYOC-ZWOKBUDYSA-N 2 1 395.950 3.710 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102358 1059928231 /nfs/dbraw/zinc/92/82/31/1059928231.db2.gz DDTKYLVOPYRYOC-ZWOKBUDYSA-N 2 1 395.950 3.710 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)C1CCCCC1 ZINC001340774942 1060114724 /nfs/dbraw/zinc/11/47/24/1060114724.db2.gz WMGJZKKSSPSDCT-LEOXJPRUSA-N 2 1 399.579 3.937 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)n1 ZINC001341006633 1060326562 /nfs/dbraw/zinc/32/65/62/1060326562.db2.gz PUONEQWSIAVITP-UNMCSNQZSA-N 2 1 378.520 3.639 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001341006633 1060326586 /nfs/dbraw/zinc/32/65/86/1060326586.db2.gz PUONEQWSIAVITP-UNMCSNQZSA-N 2 1 378.520 3.639 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001341006633 1060326603 /nfs/dbraw/zinc/32/66/03/1060326603.db2.gz PUONEQWSIAVITP-UNMCSNQZSA-N 2 1 378.520 3.639 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC001449172814 1060345081 /nfs/dbraw/zinc/34/50/81/1060345081.db2.gz YYOGKHBXZHSUDZ-RTBURBONSA-N 2 1 391.987 3.756 20 0 GHADMP CCCN(C(=O)c1coc([C@@H]2CCC[NH2+]2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570673 1060751169 /nfs/dbraw/zinc/75/11/69/1060751169.db2.gz IJGJUSGTHRGUKO-UXHICEINSA-N 2 1 396.535 3.616 20 0 GHADMP CCOc1ccccc1[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001341714804 1060831620 /nfs/dbraw/zinc/83/16/20/1060831620.db2.gz QXGBMZQVAUQWIA-NYVOZVTQSA-N 2 1 395.547 3.502 20 0 GHADMP CCc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc1-c1ccccc1 ZINC001453210655 1061094943 /nfs/dbraw/zinc/09/49/43/1061094943.db2.gz MRMWASMLNRDNBO-KRWDZBQOSA-N 2 1 387.593 3.979 20 0 GHADMP CCc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc1-c1ccccc1 ZINC001453210655 1061094958 /nfs/dbraw/zinc/09/49/58/1061094958.db2.gz MRMWASMLNRDNBO-KRWDZBQOSA-N 2 1 387.593 3.979 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(N4CCC(C[NH+](C)C)CC4)cc3)C[N@H+]2C1 ZINC001346034691 1061307401 /nfs/dbraw/zinc/30/74/01/1061307401.db2.gz SSFHWFVUGKHRJX-XQFWAAQXSA-N 2 1 398.595 3.524 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001454014982 1061574271 /nfs/dbraw/zinc/57/42/71/1061574271.db2.gz VWLKQFQWXBEMMV-NJDAHSKKSA-N 2 1 397.588 3.564 20 0 GHADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001454014982 1061574294 /nfs/dbraw/zinc/57/42/94/1061574294.db2.gz VWLKQFQWXBEMMV-NJDAHSKKSA-N 2 1 397.588 3.564 20 0 GHADMP CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001454014982 1061574314 /nfs/dbraw/zinc/57/43/14/1061574314.db2.gz VWLKQFQWXBEMMV-NJDAHSKKSA-N 2 1 397.588 3.564 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H](C[NH+](C)C)c3cccc(C(F)(F)F)c3)C[N@H+]2C1 ZINC001454540248 1061825270 /nfs/dbraw/zinc/82/52/70/1061825270.db2.gz RDRAVBPQYRKPPJ-SKWUIDRYSA-N 2 1 397.485 3.545 20 0 GHADMP CC1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC001457309933 1063083710 /nfs/dbraw/zinc/08/37/10/1063083710.db2.gz KQLSHTCQWVLTNL-SFHVURJKSA-N 2 1 377.960 3.684 20 0 GHADMP CC1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC001457309933 1063083735 /nfs/dbraw/zinc/08/37/35/1063083735.db2.gz KQLSHTCQWVLTNL-SFHVURJKSA-N 2 1 377.960 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)C2)cc1 ZINC001457981692 1063483134 /nfs/dbraw/zinc/48/31/34/1063483134.db2.gz SNCLOLFNVNTMIF-DNQXCXABSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cccc([C@@H]4CCC[NH+](C)C4)c3)C2)cc1 ZINC001457981692 1063483151 /nfs/dbraw/zinc/48/31/51/1063483151.db2.gz SNCLOLFNVNTMIF-DNQXCXABSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cccc([C@@H]4CCC[NH+](C)C4)c3)C2)cc1 ZINC001457981692 1063483169 /nfs/dbraw/zinc/48/31/69/1063483169.db2.gz SNCLOLFNVNTMIF-DNQXCXABSA-N 2 1 391.559 3.809 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001437721033 1063922169 /nfs/dbraw/zinc/92/21/69/1063922169.db2.gz AXVJUPFWHFCASK-REWPJTCUSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001437721033 1063922171 /nfs/dbraw/zinc/92/21/71/1063922171.db2.gz AXVJUPFWHFCASK-REWPJTCUSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001437721033 1063922172 /nfs/dbraw/zinc/92/21/72/1063922172.db2.gz AXVJUPFWHFCASK-REWPJTCUSA-N 2 1 389.559 3.568 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001459953450 1064300066 /nfs/dbraw/zinc/30/00/66/1064300066.db2.gz QFWPSHUTAIUVDH-MLDBQTBOSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001460064402 1064390808 /nfs/dbraw/zinc/39/08/08/1064390808.db2.gz JSHVWHFTLVKBLY-OFNKIYASSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[N@H+](C)[C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001460064402 1064390820 /nfs/dbraw/zinc/39/08/20/1064390820.db2.gz JSHVWHFTLVKBLY-OFNKIYASSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001460064402 1064390825 /nfs/dbraw/zinc/39/08/25/1064390825.db2.gz JSHVWHFTLVKBLY-OFNKIYASSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001460064402 1064390836 /nfs/dbraw/zinc/39/08/36/1064390836.db2.gz JSHVWHFTLVKBLY-OFNKIYASSA-N 2 1 379.548 3.514 20 0 GHADMP CC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(C)c1 ZINC001463632926 1064514640 /nfs/dbraw/zinc/51/46/40/1064514640.db2.gz KHDAJAYNZWIONN-BJKOFHAPSA-N 2 1 393.575 3.669 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C1CCCCC1 ZINC001463984478 1064753241 /nfs/dbraw/zinc/75/32/41/1064753241.db2.gz LNRHXMGJTPMOEJ-VXKWHMMOSA-N 2 1 389.559 3.807 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)C1CCCCC1 ZINC001463984478 1064753253 /nfs/dbraw/zinc/75/32/53/1064753253.db2.gz LNRHXMGJTPMOEJ-VXKWHMMOSA-N 2 1 389.559 3.807 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C1CCCCC1 ZINC001463984474 1064753675 /nfs/dbraw/zinc/75/36/75/1064753675.db2.gz LNRHXMGJTPMOEJ-FCHUYYIVSA-N 2 1 389.559 3.807 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)C1CCCCC1 ZINC001463984474 1064753689 /nfs/dbraw/zinc/75/36/89/1064753689.db2.gz LNRHXMGJTPMOEJ-FCHUYYIVSA-N 2 1 389.559 3.807 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[NH+]3CCC[C@@H](C)C3)C[N@H+]2C1 ZINC001464161617 1064877910 /nfs/dbraw/zinc/87/79/10/1064877910.db2.gz VQYWDAQMEYOKTN-DAVBRLECSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)C[NH+]2C1 ZINC001464161617 1064877933 /nfs/dbraw/zinc/87/79/33/1064877933.db2.gz VQYWDAQMEYOKTN-DAVBRLECSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)C[NH+]2C1 ZINC001464161617 1064877945 /nfs/dbraw/zinc/87/79/45/1064877945.db2.gz VQYWDAQMEYOKTN-DAVBRLECSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC001464449415 1065015765 /nfs/dbraw/zinc/01/57/65/1065015765.db2.gz IUFLHCYCBKQRAQ-IFMALSPDSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001464449415 1065015778 /nfs/dbraw/zinc/01/57/78/1065015778.db2.gz IUFLHCYCBKQRAQ-IFMALSPDSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001464449415 1065015785 /nfs/dbraw/zinc/01/57/85/1065015785.db2.gz IUFLHCYCBKQRAQ-IFMALSPDSA-N 2 1 385.596 3.568 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001464692427 1065160075 /nfs/dbraw/zinc/16/00/75/1065160075.db2.gz GXCKPWYUQYSZBF-QGZVFWFLSA-N 2 1 394.991 3.521 20 0 GHADMP C[NH+](C)C1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001464906601 1065267393 /nfs/dbraw/zinc/26/73/93/1065267393.db2.gz CLJXOWNSPLSNFP-QHCPKHFHSA-N 2 1 397.538 3.580 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001465617765 1065749517 /nfs/dbraw/zinc/74/95/17/1065749517.db2.gz WFKXKJJDGZFMEE-DEOSSOPVSA-N 2 1 399.623 3.815 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001465666064 1065780776 /nfs/dbraw/zinc/78/07/76/1065780776.db2.gz NIJPIXFRGJEZDM-QFIPXVFZSA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001465666064 1065780788 /nfs/dbraw/zinc/78/07/88/1065780788.db2.gz NIJPIXFRGJEZDM-QFIPXVFZSA-N 2 1 387.543 3.703 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)[nH+]1 ZINC001465885492 1065910437 /nfs/dbraw/zinc/91/04/37/1065910437.db2.gz FBRNYFDRFLDJBP-QHAWAJNXSA-N 2 1 378.520 3.543 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)[nH+]1 ZINC001465885492 1065910439 /nfs/dbraw/zinc/91/04/39/1065910439.db2.gz FBRNYFDRFLDJBP-QHAWAJNXSA-N 2 1 378.520 3.543 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001466622618 1066217533 /nfs/dbraw/zinc/21/75/33/1066217533.db2.gz MTUVOGIYZUFVDL-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001466622618 1066217542 /nfs/dbraw/zinc/21/75/42/1066217542.db2.gz MTUVOGIYZUFVDL-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001466622618 1066217545 /nfs/dbraw/zinc/21/75/45/1066217545.db2.gz MTUVOGIYZUFVDL-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)cc1 ZINC001357351213 1067058126 /nfs/dbraw/zinc/05/81/26/1067058126.db2.gz OUDAYWXPWPKLMW-JHMKDJTOSA-N 2 1 385.552 3.547 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)Nc2ccnc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC001467117999 1067079829 /nfs/dbraw/zinc/07/98/29/1067079829.db2.gz BQYXWBIUKGMXQB-QFIPXVFZSA-N 2 1 397.567 3.766 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001357398471 1067082510 /nfs/dbraw/zinc/08/25/10/1067082510.db2.gz YMIQUMCSYAOFIX-KAGYGMCKSA-N 2 1 395.547 3.645 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001477654888 1078510895 /nfs/dbraw/zinc/51/08/95/1078510895.db2.gz YULVWQLLYDIBKT-IRLDBZIGSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC001467867205 1067507272 /nfs/dbraw/zinc/50/72/72/1067507272.db2.gz DRDITUITBOIGGI-RBUKOAKNSA-N 2 1 388.600 3.694 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)C1 ZINC001467949457 1067541953 /nfs/dbraw/zinc/54/19/53/1067541953.db2.gz NCZVHVRSAMPBBS-QFIPXVFZSA-N 2 1 394.563 3.699 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001468056615 1067582372 /nfs/dbraw/zinc/58/23/72/1067582372.db2.gz KFOQDJITNFHOQC-HSALFYBXSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001468314987 1067681360 /nfs/dbraw/zinc/68/13/60/1067681360.db2.gz ZPYJZIXDFQWENV-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001468344261 1067694841 /nfs/dbraw/zinc/69/48/41/1067694841.db2.gz CVRSFSHXBIGXAR-JOCHJYFZSA-N 2 1 385.596 3.520 20 0 GHADMP CCCCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000849113770 1067734585 /nfs/dbraw/zinc/73/45/85/1067734585.db2.gz IYSOUQNEGUVAQS-OAQYLSRUSA-N 2 1 386.584 3.609 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001468611702 1067790980 /nfs/dbraw/zinc/79/09/80/1067790980.db2.gz ZUAHGFARWAAFRT-FDFHNCONSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001469164850 1068005394 /nfs/dbraw/zinc/00/53/94/1068005394.db2.gz UNOAAUFVJXEQII-RDABAPPSSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001469164850 1068005410 /nfs/dbraw/zinc/00/54/10/1068005410.db2.gz UNOAAUFVJXEQII-RDABAPPSSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC001469351727 1068118133 /nfs/dbraw/zinc/11/81/33/1068118133.db2.gz MJQLEFZHFDXTSB-FCEUIQTBSA-N 2 1 388.600 3.878 20 0 GHADMP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C[C@@H]1C ZINC001469607829 1068254449 /nfs/dbraw/zinc/25/44/49/1068254449.db2.gz JBAAAZQWSIDRHC-IRMYBRCSSA-N 2 1 385.596 3.722 20 0 GHADMP CC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C[C@@H]1C ZINC001469607829 1068254455 /nfs/dbraw/zinc/25/44/55/1068254455.db2.gz JBAAAZQWSIDRHC-IRMYBRCSSA-N 2 1 385.596 3.722 20 0 GHADMP CC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C[C@@H]1C ZINC001469607829 1068254460 /nfs/dbraw/zinc/25/44/60/1068254460.db2.gz JBAAAZQWSIDRHC-IRMYBRCSSA-N 2 1 385.596 3.722 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2CCC)CC[N@H+]1Cc1ccccc1 ZINC001470086908 1068565452 /nfs/dbraw/zinc/56/54/52/1068565452.db2.gz IIAAFSGYVSPPQU-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)CC[NH+]1Cc1ccccc1 ZINC001470086908 1068565465 /nfs/dbraw/zinc/56/54/65/1068565465.db2.gz IIAAFSGYVSPPQU-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2CCC)CC[NH+]1Cc1ccccc1 ZINC001470086908 1068565483 /nfs/dbraw/zinc/56/54/83/1068565483.db2.gz IIAAFSGYVSPPQU-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001470094459 1068569856 /nfs/dbraw/zinc/56/98/56/1068569856.db2.gz KWQKOMVTYBYNAH-MIZPHKNDSA-N 2 1 394.563 3.766 20 0 GHADMP OC[C@H]1C[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC[C@H]1C(F)(F)F ZINC001460085412 1068771970 /nfs/dbraw/zinc/77/19/70/1068771970.db2.gz PWVGTVBKJQDPJA-NHCUHLMSSA-N 2 1 398.513 3.824 20 0 GHADMP OC[C@H]1C[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC[C@H]1C(F)(F)F ZINC001460085412 1068771979 /nfs/dbraw/zinc/77/19/79/1068771979.db2.gz PWVGTVBKJQDPJA-NHCUHLMSSA-N 2 1 398.513 3.824 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001460168389 1068827887 /nfs/dbraw/zinc/82/78/87/1068827887.db2.gz IFHBSUKINHNXTR-JXQFQVJHSA-N 2 1 391.559 3.994 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC001460693655 1069091478 /nfs/dbraw/zinc/09/14/78/1069091478.db2.gz RZGFOKZZARWAQA-RXVVDRJESA-N 2 1 375.532 3.686 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001478597193 1078929621 /nfs/dbraw/zinc/92/96/21/1078929621.db2.gz XQNKBYLEMNQPJI-KEZQHZCBSA-N 2 1 386.584 3.554 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001478597193 1078929622 /nfs/dbraw/zinc/92/96/22/1078929622.db2.gz XQNKBYLEMNQPJI-KEZQHZCBSA-N 2 1 386.584 3.554 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001478597193 1078929624 /nfs/dbraw/zinc/92/96/24/1078929624.db2.gz XQNKBYLEMNQPJI-KEZQHZCBSA-N 2 1 386.584 3.554 20 0 GHADMP CC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001470823548 1072756430 /nfs/dbraw/zinc/75/64/30/1072756430.db2.gz LHYLVNCONOPTQK-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823548 1072756436 /nfs/dbraw/zinc/75/64/36/1072756436.db2.gz LHYLVNCONOPTQK-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823548 1072756441 /nfs/dbraw/zinc/75/64/41/1072756441.db2.gz LHYLVNCONOPTQK-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)[NH+](CC)CC)cc1 ZINC001478733938 1078970277 /nfs/dbraw/zinc/97/02/77/1078970277.db2.gz ARTOAZWPCWTSEG-VSKRKVRLSA-N 2 1 386.584 3.510 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001478772726 1078983165 /nfs/dbraw/zinc/98/31/65/1078983165.db2.gz YGHNZQRLYMFDHE-NHCUHLMSSA-N 2 1 388.600 3.660 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC001471108512 1072925487 /nfs/dbraw/zinc/92/54/87/1072925487.db2.gz IPTODLWJHANFCT-XZOQPEGZSA-N 2 1 398.595 3.701 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001471313716 1073012313 /nfs/dbraw/zinc/01/23/13/1073012313.db2.gz FKSTXYNZJDXBFD-BJKOFHAPSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001471313716 1073012327 /nfs/dbraw/zinc/01/23/27/1073012327.db2.gz FKSTXYNZJDXBFD-BJKOFHAPSA-N 2 1 391.559 3.740 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001478891263 1079016621 /nfs/dbraw/zinc/01/66/21/1079016621.db2.gz KWSOEZSKUHOAJR-PMNYKWLYSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001478891263 1079016628 /nfs/dbraw/zinc/01/66/28/1079016628.db2.gz KWSOEZSKUHOAJR-PMNYKWLYSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001478891263 1079016639 /nfs/dbraw/zinc/01/66/39/1079016639.db2.gz KWSOEZSKUHOAJR-PMNYKWLYSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001478957569 1079039434 /nfs/dbraw/zinc/03/94/34/1079039434.db2.gz ROARSQVPEWYSKS-BVSLBCMMSA-N 2 1 388.600 3.674 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC001478957569 1079039444 /nfs/dbraw/zinc/03/94/44/1079039444.db2.gz ROARSQVPEWYSKS-BVSLBCMMSA-N 2 1 388.600 3.674 20 0 GHADMP Cc1ccc(NCCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[nH+]c1 ZINC001472011156 1073303897 /nfs/dbraw/zinc/30/38/97/1073303897.db2.gz TUORFTWLCUQGKB-UHFFFAOYSA-N 2 1 388.515 3.864 20 0 GHADMP Cc1ccc(NCCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[nH+]c1 ZINC001472011156 1073303901 /nfs/dbraw/zinc/30/39/01/1073303901.db2.gz TUORFTWLCUQGKB-UHFFFAOYSA-N 2 1 388.515 3.864 20 0 GHADMP C[N@H+](CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Cc1ccccc1 ZINC001472318735 1073418688 /nfs/dbraw/zinc/41/86/88/1073418688.db2.gz VHIXKVVVMQWEDD-TZRRMPRUSA-N 2 1 391.559 3.535 20 0 GHADMP C[N@@H+](CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Cc1ccccc1 ZINC001472318735 1073418693 /nfs/dbraw/zinc/41/86/93/1073418693.db2.gz VHIXKVVVMQWEDD-TZRRMPRUSA-N 2 1 391.559 3.535 20 0 GHADMP C[NH+](CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Cc1ccccc1 ZINC001472318735 1073418703 /nfs/dbraw/zinc/41/87/03/1073418703.db2.gz VHIXKVVVMQWEDD-TZRRMPRUSA-N 2 1 391.559 3.535 20 0 GHADMP C[NH+](CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Cc1ccccc1 ZINC001472318735 1073418709 /nfs/dbraw/zinc/41/87/09/1073418709.db2.gz VHIXKVVVMQWEDD-TZRRMPRUSA-N 2 1 391.559 3.535 20 0 GHADMP CC[N@H+]1CC[C@H]1CNc1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001472861339 1073699818 /nfs/dbraw/zinc/69/98/18/1073699818.db2.gz AGFKVAJPZNTTPI-INIZCTEOSA-N 2 1 381.549 3.926 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473719493 1074106120 /nfs/dbraw/zinc/10/61/20/1074106120.db2.gz XJJTYYQJGNVABA-HTDNTCHWSA-N 2 1 384.564 3.810 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C3CCC3)CC2)CC1 ZINC001473743434 1074119589 /nfs/dbraw/zinc/11/95/89/1074119589.db2.gz SMUXAGHPUSFZCM-QFIPXVFZSA-N 2 1 397.607 3.978 20 0 GHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473780828 1074138987 /nfs/dbraw/zinc/13/89/87/1074138987.db2.gz MCPGGKJVRJRGSV-WAOWUJCRSA-N 2 1 383.511 3.564 20 0 GHADMP CCC(CC)[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+](C)C ZINC001473926145 1074206381 /nfs/dbraw/zinc/20/63/81/1074206381.db2.gz SGMJIDPCWCKYEK-CABCVRRESA-N 2 1 383.499 3.788 20 0 GHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001473928649 1074208050 /nfs/dbraw/zinc/20/80/50/1074208050.db2.gz YJZZYMFFLOEDBK-UHFFFAOYSA-N 2 1 375.557 3.800 20 0 GHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001473928649 1074208051 /nfs/dbraw/zinc/20/80/51/1074208051.db2.gz YJZZYMFFLOEDBK-UHFFFAOYSA-N 2 1 375.557 3.800 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cccc(I)c2)C1 ZINC001473936143 1074210070 /nfs/dbraw/zinc/21/00/70/1074210070.db2.gz WNPSATRIFILPHD-GASCZTMLSA-N 2 1 386.321 3.749 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cccc(I)c2)C1 ZINC001473936143 1074210075 /nfs/dbraw/zinc/21/00/75/1074210075.db2.gz WNPSATRIFILPHD-GASCZTMLSA-N 2 1 386.321 3.749 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001473957176 1074217691 /nfs/dbraw/zinc/21/76/91/1074217691.db2.gz MCGASIFUTMWJFI-IBGZPJMESA-N 2 1 387.568 3.801 20 0 GHADMP COc1cc(Br)c(C[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC001474021015 1074238349 /nfs/dbraw/zinc/23/83/49/1074238349.db2.gz TYXAJBNENIFKCB-UHFFFAOYSA-N 2 1 382.302 3.541 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001474084798 1074258836 /nfs/dbraw/zinc/25/88/36/1074258836.db2.gz UCHXPXJUEWCQKG-QDSKXPNFSA-N 2 1 386.580 3.718 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)s2)o1 ZINC001474204984 1074292976 /nfs/dbraw/zinc/29/29/76/1074292976.db2.gz NYUPWFWUAMIEKN-GOSISDBHSA-N 2 1 383.517 3.568 20 0 GHADMP Fc1ccc(CC[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC001474443676 1074408961 /nfs/dbraw/zinc/40/89/61/1074408961.db2.gz ABBFGFZOXNGNDH-FQEVSTJZSA-N 2 1 376.903 3.902 20 0 GHADMP Fc1ccc(CC[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC001474443676 1074408966 /nfs/dbraw/zinc/40/89/66/1074408966.db2.gz ABBFGFZOXNGNDH-FQEVSTJZSA-N 2 1 376.903 3.902 20 0 GHADMP Fc1ccc(CC[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC001474443677 1074409104 /nfs/dbraw/zinc/40/91/04/1074409104.db2.gz ABBFGFZOXNGNDH-HXUWFJFHSA-N 2 1 376.903 3.902 20 0 GHADMP Fc1ccc(CC[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(Cl)c1 ZINC001474443677 1074409110 /nfs/dbraw/zinc/40/91/10/1074409110.db2.gz ABBFGFZOXNGNDH-HXUWFJFHSA-N 2 1 376.903 3.902 20 0 GHADMP C[C@@H]1OCC[C@@]12C[N@H+](C[C@]1(C(C)(C)C)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001474494191 1074431326 /nfs/dbraw/zinc/43/13/26/1074431326.db2.gz NNUFTOVWUBWMBQ-NKKJXINNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@]1(C(C)(C)C)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001474494191 1074431330 /nfs/dbraw/zinc/43/13/30/1074431330.db2.gz NNUFTOVWUBWMBQ-NKKJXINNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@@]12C[NH+](C[C@]1(C(C)(C)C)CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001474494191 1074431333 /nfs/dbraw/zinc/43/13/33/1074431333.db2.gz NNUFTOVWUBWMBQ-NKKJXINNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@@]12C[NH+](C[C@]1(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001474494191 1074431338 /nfs/dbraw/zinc/43/13/38/1074431338.db2.gz NNUFTOVWUBWMBQ-NKKJXINNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@]12C[N@H+](C[C@]1(C(C)(C)C)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001474494192 1074431438 /nfs/dbraw/zinc/43/14/38/1074431438.db2.gz NNUFTOVWUBWMBQ-OYDLWJJNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@]12C[N@@H+](C[C@]1(C(C)(C)C)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001474494192 1074431442 /nfs/dbraw/zinc/43/14/42/1074431442.db2.gz NNUFTOVWUBWMBQ-OYDLWJJNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@]12C[NH+](C[C@]1(C(C)(C)C)CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001474494192 1074431445 /nfs/dbraw/zinc/43/14/45/1074431445.db2.gz NNUFTOVWUBWMBQ-OYDLWJJNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@]12C[NH+](C[C@]1(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001474494192 1074431449 /nfs/dbraw/zinc/43/14/49/1074431449.db2.gz NNUFTOVWUBWMBQ-OYDLWJJNSA-N 2 1 386.580 3.805 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C)nc4scc(C)n34)C2)ccn1 ZINC001474642752 1074495425 /nfs/dbraw/zinc/49/54/25/1074495425.db2.gz RSNZYCPLYQOYDM-LJQANCHMSA-N 2 1 399.564 3.513 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(C)nc4scc(C)n34)C2)ccn1 ZINC001474642752 1074495427 /nfs/dbraw/zinc/49/54/27/1074495427.db2.gz RSNZYCPLYQOYDM-LJQANCHMSA-N 2 1 399.564 3.513 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(C)nc4scc(C)n34)C2)ccn1 ZINC001474642752 1074495433 /nfs/dbraw/zinc/49/54/33/1074495433.db2.gz RSNZYCPLYQOYDM-LJQANCHMSA-N 2 1 399.564 3.513 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c2c1OC(F)(F)O2 ZINC001474672331 1074508544 /nfs/dbraw/zinc/50/85/44/1074508544.db2.gz CPCUOAHGRPAEBG-GOSISDBHSA-N 2 1 396.478 3.993 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001495587002 1079419249 /nfs/dbraw/zinc/41/92/49/1079419249.db2.gz FRMZUNQRXAWUCJ-XUVXKRRUSA-N 2 1 390.620 3.587 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821188564 599643530 /nfs/dbraw/zinc/64/35/30/599643530.db2.gz AIEJOJLKSLEBOI-LJQANCHMSA-N 2 1 390.535 3.697 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CCCC[C@@H]4C4CC[NH2+]CC4)ccc3C2)cc1 ZINC001164416667 718891981 /nfs/dbraw/zinc/89/19/81/718891981.db2.gz FKNCNHPJSVOHKU-XMMPIXPASA-N 2 1 390.575 3.998 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165020793 721813577 /nfs/dbraw/zinc/81/35/77/721813577.db2.gz DAOZEFQWPMEZHG-YSIASYRMSA-N 2 1 390.535 3.707 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165020793 721813579 /nfs/dbraw/zinc/81/35/79/721813579.db2.gz DAOZEFQWPMEZHG-YSIASYRMSA-N 2 1 390.535 3.707 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000431770359 837421494 /nfs/dbraw/zinc/42/14/94/837421494.db2.gz KWPAAXPCEDMVHD-UNMCSNQZSA-N 2 1 375.601 3.754 20 0 GHADMP CCCc1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000613268330 837492587 /nfs/dbraw/zinc/49/25/87/837492587.db2.gz ZAMHPGOMCYHYEA-UHFFFAOYSA-N 2 1 395.547 3.590 20 0 GHADMP c1coc(COCc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2)c1 ZINC000655689032 837610293 /nfs/dbraw/zinc/61/02/93/837610293.db2.gz RPPGSODZDQJTJP-QFIPXVFZSA-N 2 1 384.520 3.729 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689393 837609669 /nfs/dbraw/zinc/60/96/69/837609669.db2.gz CGQWZHDXOKGRCB-GBXCKJPGSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689393 837609676 /nfs/dbraw/zinc/60/96/76/837609676.db2.gz CGQWZHDXOKGRCB-GBXCKJPGSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689393 837609680 /nfs/dbraw/zinc/60/96/80/837609680.db2.gz CGQWZHDXOKGRCB-GBXCKJPGSA-N 3 1 385.596 3.652 20 0 GHADMP c1coc(COCc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2)c1 ZINC000655689029 837610547 /nfs/dbraw/zinc/61/05/47/837610547.db2.gz RPPGSODZDQJTJP-JOCHJYFZSA-N 2 1 384.520 3.729 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655691867 837673305 /nfs/dbraw/zinc/67/33/05/837673305.db2.gz YEIMYEMISHLWDA-YKSBVNFPSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691867 837673310 /nfs/dbraw/zinc/67/33/10/837673310.db2.gz YEIMYEMISHLWDA-YKSBVNFPSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691867 837673318 /nfs/dbraw/zinc/67/33/18/837673318.db2.gz YEIMYEMISHLWDA-YKSBVNFPSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691867 837673322 /nfs/dbraw/zinc/67/33/22/837673322.db2.gz YEIMYEMISHLWDA-YKSBVNFPSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691867 837673328 /nfs/dbraw/zinc/67/33/28/837673328.db2.gz YEIMYEMISHLWDA-YKSBVNFPSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@@H](NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000510284937 837693521 /nfs/dbraw/zinc/69/35/21/837693521.db2.gz BBQCIROCIUTJBV-SFHLNBCPSA-N 2 1 388.600 3.563 20 0 GHADMP COc1ccc(Oc2ccc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000655736648 837775728 /nfs/dbraw/zinc/77/57/28/837775728.db2.gz GPSQSIPIPSIBKG-OAQYLSRUSA-N 2 1 396.531 3.873 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C[N@H+]1Cc1ccccc1 ZINC000655736125 837776515 /nfs/dbraw/zinc/77/65/15/837776515.db2.gz CEUBSHPEBISKOP-BKULYWANSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000655736125 837776521 /nfs/dbraw/zinc/77/65/21/837776521.db2.gz CEUBSHPEBISKOP-BKULYWANSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@H+]1Cc1ccccc1 ZINC000655736125 837776527 /nfs/dbraw/zinc/77/65/27/837776527.db2.gz CEUBSHPEBISKOP-BKULYWANSA-N 3 1 385.596 3.520 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCC4)c(C)nc2s1 ZINC000657771341 834657204 /nfs/dbraw/zinc/65/72/04/834657204.db2.gz BJEMUTKKELHDRH-LJQANCHMSA-N 2 1 395.576 3.800 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)c(C)nc2s1 ZINC000657771341 834657208 /nfs/dbraw/zinc/65/72/08/834657208.db2.gz BJEMUTKKELHDRH-LJQANCHMSA-N 2 1 395.576 3.800 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[NH+]1CCCCCC[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000375761917 834670053 /nfs/dbraw/zinc/67/00/53/834670053.db2.gz IPQAUCRXUPXEHE-NVPYSNMXSA-N 2 1 390.660 3.664 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCCCCC[NH+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000375761917 834670055 /nfs/dbraw/zinc/67/00/55/834670055.db2.gz IPQAUCRXUPXEHE-NVPYSNMXSA-N 2 1 390.660 3.664 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCCCCC[NH+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000375761917 834670060 /nfs/dbraw/zinc/67/00/60/834670060.db2.gz IPQAUCRXUPXEHE-NVPYSNMXSA-N 2 1 390.660 3.664 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000650722417 834689874 /nfs/dbraw/zinc/68/98/74/834689874.db2.gz SIILSOAIVSLLJK-UHOSZYNNSA-N 2 1 396.959 3.998 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000472293737 834716637 /nfs/dbraw/zinc/71/66/37/834716637.db2.gz NLHQRCYNAVWMEC-GOTSBHOMSA-N 2 1 395.547 3.799 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000472293737 834716647 /nfs/dbraw/zinc/71/66/47/834716647.db2.gz NLHQRCYNAVWMEC-GOTSBHOMSA-N 2 1 395.547 3.799 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000146012025 834819746 /nfs/dbraw/zinc/81/97/46/834819746.db2.gz QNVIOFQLHDFUTP-JOCHJYFZSA-N 2 1 395.572 3.839 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000472299089 834917404 /nfs/dbraw/zinc/91/74/04/834917404.db2.gz XNANWEGAKKEJFK-YJBOKZPZSA-N 2 1 392.931 3.884 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000472299089 834917411 /nfs/dbraw/zinc/91/74/11/834917411.db2.gz XNANWEGAKKEJFK-YJBOKZPZSA-N 2 1 392.931 3.884 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431567113 834924781 /nfs/dbraw/zinc/92/47/81/834924781.db2.gz XFOFKFILCNNUQA-RBUKOAKNSA-N 2 1 375.582 3.798 20 0 GHADMP Cn1cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c2ccc(Cl)cc21 ZINC000655756166 837828504 /nfs/dbraw/zinc/82/85/04/837828504.db2.gz PRBYUJHUAXHZAX-IBGZPJMESA-N 2 1 375.944 3.607 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000151150607 835053027 /nfs/dbraw/zinc/05/30/27/835053027.db2.gz ZVTHSHPYOCLMMT-LJQANCHMSA-N 2 1 381.568 3.959 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000151150607 835053037 /nfs/dbraw/zinc/05/30/37/835053037.db2.gz ZVTHSHPYOCLMMT-LJQANCHMSA-N 2 1 381.568 3.959 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000143109982 835107838 /nfs/dbraw/zinc/10/78/38/835107838.db2.gz QFHPABIEDQUVBB-QHCPKHFHSA-N 2 1 377.532 3.677 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3nc4ccc(-c5ccsc5)cn4n3)CC2)C1 ZINC001208606320 835207678 /nfs/dbraw/zinc/20/76/78/835207678.db2.gz FCOSRNPBXBFSCO-KRWDZBQOSA-N 2 1 395.576 3.979 20 0 GHADMP CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000685603693 835212551 /nfs/dbraw/zinc/21/25/51/835212551.db2.gz BWPCQYYTTAYGFL-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665251 835286289 /nfs/dbraw/zinc/28/62/89/835286289.db2.gz YXFAIMWZGUHPDB-TZIWHRDSSA-N 2 1 390.535 3.615 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC001167077804 835330906 /nfs/dbraw/zinc/33/09/06/835330906.db2.gz NVMVHBXZIGWGAY-OAQYLSRUSA-N 2 1 375.532 3.765 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000132745547 835414774 /nfs/dbraw/zinc/41/47/74/835414774.db2.gz REGZLMMPGBUOBT-CABCVRRESA-N 2 1 397.357 3.609 20 0 GHADMP CSc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000612048116 835435024 /nfs/dbraw/zinc/43/50/24/835435024.db2.gz XRUAUDGFFMPECD-UHFFFAOYSA-N 2 1 393.597 3.578 20 0 GHADMP CC1=CC[C@](C)(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000612048186 835436072 /nfs/dbraw/zinc/43/60/72/835436072.db2.gz ZSWNUWPQLUQSQG-QHCPKHFHSA-N 2 1 375.601 3.778 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142207 835453672 /nfs/dbraw/zinc/45/36/72/835453672.db2.gz DMBWYDZFJFSNHP-KXBFYZLASA-N 2 1 376.447 3.705 20 0 GHADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658166122 835482405 /nfs/dbraw/zinc/48/24/05/835482405.db2.gz MTAQLHLMVXDDJO-BWKNWUBXSA-N 3 1 392.591 3.794 20 0 GHADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658166122 835482408 /nfs/dbraw/zinc/48/24/08/835482408.db2.gz MTAQLHLMVXDDJO-BWKNWUBXSA-N 2 1 392.591 3.794 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000658290520 835556493 /nfs/dbraw/zinc/55/64/93/835556493.db2.gz LRBAPQZYIPYVKD-SNDHGLFQSA-N 2 1 397.607 3.663 20 0 GHADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1 ZINC000127309855 835653825 /nfs/dbraw/zinc/65/38/25/835653825.db2.gz WUDUQCJTWRAJPC-INIZCTEOSA-N 2 1 389.565 3.792 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274923188 835826858 /nfs/dbraw/zinc/82/68/58/835826858.db2.gz PMLFAKTVLRERLC-OFNKIYASSA-N 2 1 391.559 3.809 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000600969957 835975066 /nfs/dbraw/zinc/97/50/66/835975066.db2.gz MALLUZDUWOIJGV-JOCHJYFZSA-N 2 1 399.966 3.971 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](C5CCCCC5)CC4)cc3c2C1 ZINC000611843020 835979045 /nfs/dbraw/zinc/97/90/45/835979045.db2.gz RTGGQQBXGPVGDC-UHFFFAOYSA-N 2 1 394.563 3.683 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](C5CCCCC5)CC4)cc3c2C1 ZINC000611843020 835979054 /nfs/dbraw/zinc/97/90/54/835979054.db2.gz RTGGQQBXGPVGDC-UHFFFAOYSA-N 2 1 394.563 3.683 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000154862610 836084828 /nfs/dbraw/zinc/08/48/28/836084828.db2.gz BBDJZUHGUXCSFE-INIZCTEOSA-N 2 1 392.540 3.920 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482105 844135567 /nfs/dbraw/zinc/13/55/67/844135567.db2.gz PBTHBTAAFVSJOU-WWPVKYPJSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483675 844153455 /nfs/dbraw/zinc/15/34/55/844153455.db2.gz IFANADGNQXZXAA-ILWGZMRPSA-N 2 1 399.604 3.622 20 0 GHADMP Cc1cc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000174300385 836417928 /nfs/dbraw/zinc/41/79/28/836417928.db2.gz KRETYUCOXQTHHE-UHFFFAOYSA-N 2 1 386.462 3.504 20 0 GHADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000570186885 836518780 /nfs/dbraw/zinc/51/87/80/836518780.db2.gz KGQYWDCCILDIAT-QUCCMNQESA-N 2 1 386.584 3.720 20 0 GHADMP C[C@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174869828 836578937 /nfs/dbraw/zinc/57/89/37/836578937.db2.gz XCZUIHLUQKWTBY-IBGZPJMESA-N 2 1 380.536 3.877 20 0 GHADMP c1ccc(C[C@H]2CC[NH+]2CC2(C[N@H+]3CC[C@@H]3Cc3ccccc3)COC2)cc1 ZINC000543859169 836683864 /nfs/dbraw/zinc/68/38/64/836683864.db2.gz MHLOFWXURWSUJQ-DNQXCXABSA-N 2 1 376.544 3.637 20 0 GHADMP c1ccc(C[C@H]2CC[NH+]2CC2(C[N@@H+]3CC[C@@H]3Cc3ccccc3)COC2)cc1 ZINC000543859169 836683873 /nfs/dbraw/zinc/68/38/73/836683873.db2.gz MHLOFWXURWSUJQ-DNQXCXABSA-N 2 1 376.544 3.637 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC000431703574 836966763 /nfs/dbraw/zinc/96/67/63/836966763.db2.gz RQFIMENTXWYBHS-KIZRIRGWSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC000431703574 836966775 /nfs/dbraw/zinc/96/67/75/836966775.db2.gz RQFIMENTXWYBHS-KIZRIRGWSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC000431703574 836966786 /nfs/dbraw/zinc/96/67/86/836966786.db2.gz RQFIMENTXWYBHS-KIZRIRGWSA-N 2 1 386.584 3.554 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685848021 837270115 /nfs/dbraw/zinc/27/01/15/837270115.db2.gz OGSBCGRTGJZFBI-NMIWIPSGSA-N 2 1 393.522 3.792 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1F ZINC000431741644 837273310 /nfs/dbraw/zinc/27/33/10/837273310.db2.gz SGDOPBXDJSMOFD-NRFANRHFSA-N 2 1 384.499 3.733 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1F ZINC000431741644 837273319 /nfs/dbraw/zinc/27/33/19/837273319.db2.gz SGDOPBXDJSMOFD-NRFANRHFSA-N 2 1 384.499 3.733 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1Br ZINC000471363840 837361043 /nfs/dbraw/zinc/36/10/43/837361043.db2.gz QPOIIAPAUMCIRH-UHFFFAOYSA-N 2 1 396.373 3.961 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224941 838009780 /nfs/dbraw/zinc/00/97/80/838009780.db2.gz WKBLCEGGVVJCKV-WFXMLNOXSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224941 838009786 /nfs/dbraw/zinc/00/97/86/838009786.db2.gz WKBLCEGGVVJCKV-WFXMLNOXSA-N 2 1 387.568 3.885 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415898811 838253154 /nfs/dbraw/zinc/25/31/54/838253154.db2.gz RQJDPGOVILOEFQ-QFIPXVFZSA-N 2 1 380.536 3.610 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415907597 838261447 /nfs/dbraw/zinc/26/14/47/838261447.db2.gz BMVYDSNSWDSMNY-FYYLOGMGSA-N 2 1 392.547 3.924 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000415912455 838269579 /nfs/dbraw/zinc/26/95/79/838269579.db2.gz GZZIXOCZNHFBFB-OAQYLSRUSA-N 2 1 398.576 3.535 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000415912455 838269585 /nfs/dbraw/zinc/26/95/85/838269585.db2.gz GZZIXOCZNHFBFB-OAQYLSRUSA-N 2 1 398.576 3.535 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CC[NH2+]C[C@H]3c3ccccc3Cl)cc21 ZINC000659311664 838271299 /nfs/dbraw/zinc/27/12/99/838271299.db2.gz OMVPXVGLASQSJU-UWJYYQICSA-N 2 1 383.923 3.505 20 0 GHADMP C[C@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659319666 838279461 /nfs/dbraw/zinc/27/94/61/838279461.db2.gz SRTKXEWKCDEIDE-OFAXGOBFSA-N 2 1 391.559 3.706 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000415926808 838284494 /nfs/dbraw/zinc/28/44/94/838284494.db2.gz BSSGMKDUJXPCRI-UHFFFAOYSA-N 2 1 380.536 3.972 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000052220485 844311374 /nfs/dbraw/zinc/31/13/74/844311374.db2.gz WOIGAKHMUJVTRB-UHFFFAOYSA-N 2 1 384.351 3.558 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000052220485 844311385 /nfs/dbraw/zinc/31/13/85/844311385.db2.gz WOIGAKHMUJVTRB-UHFFFAOYSA-N 2 1 384.351 3.558 20 0 GHADMP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC000415969017 838336618 /nfs/dbraw/zinc/33/66/18/838336618.db2.gz JSBJJDZUWJXWBU-CQSZACIVSA-N 2 1 394.441 3.806 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415994867 838372344 /nfs/dbraw/zinc/37/23/44/838372344.db2.gz JADRAOOLIOESRV-IBGZPJMESA-N 2 1 378.520 3.666 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000065441338 838533502 /nfs/dbraw/zinc/53/35/02/838533502.db2.gz NFODNIDSSWLMDV-KNQAVFIVSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000065441338 838533509 /nfs/dbraw/zinc/53/35/09/838533509.db2.gz NFODNIDSSWLMDV-KNQAVFIVSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000065441338 838533515 /nfs/dbraw/zinc/53/35/15/838533515.db2.gz NFODNIDSSWLMDV-KNQAVFIVSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC000378165748 838544593 /nfs/dbraw/zinc/54/45/93/838544593.db2.gz JEGAYQQQNNDQPK-XMSQKQJNSA-N 2 1 387.568 3.772 20 0 GHADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(-c2ccnn2C)c1 ZINC000549401530 838642937 /nfs/dbraw/zinc/64/29/37/838642937.db2.gz LKVOKZXBEVJHOG-BGYRXZFFSA-N 2 1 396.579 3.717 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000416156385 838643740 /nfs/dbraw/zinc/64/37/40/838643740.db2.gz OYMMTHSIDHVHMD-JQVVWYNYSA-N 2 1 385.577 3.940 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655471833 838902560 /nfs/dbraw/zinc/90/25/60/838902560.db2.gz YWAHQQXZKDYRAG-RMYQPGKMSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655471833 838902568 /nfs/dbraw/zinc/90/25/68/838902568.db2.gz YWAHQQXZKDYRAG-RMYQPGKMSA-N 2 1 393.934 3.509 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000188765829 838941418 /nfs/dbraw/zinc/94/14/18/838941418.db2.gz BLTIUANCOLEXLS-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1ccc(C)c(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000580197581 839036352 /nfs/dbraw/zinc/03/63/52/839036352.db2.gz WVGLTIOZEHFELV-QFIPXVFZSA-N 2 1 396.579 3.933 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1ccc(C)c(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000580197581 839036368 /nfs/dbraw/zinc/03/63/68/839036368.db2.gz WVGLTIOZEHFELV-QFIPXVFZSA-N 2 1 396.579 3.933 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc4cnccc4c3)CC2)CC1 ZINC000683833071 839040288 /nfs/dbraw/zinc/04/02/88/839040288.db2.gz RPLZTRVJJMYSPS-UHFFFAOYSA-N 2 1 380.580 3.863 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2cnccc2c1 ZINC000683833071 839040292 /nfs/dbraw/zinc/04/02/92/839040292.db2.gz RPLZTRVJJMYSPS-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2cnccc2c1 ZINC000683833071 839040304 /nfs/dbraw/zinc/04/03/04/839040304.db2.gz RPLZTRVJJMYSPS-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163919 839105344 /nfs/dbraw/zinc/10/53/44/839105344.db2.gz AMURWJHHYJSXDX-JTHBVZDNSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163919 839105351 /nfs/dbraw/zinc/10/53/51/839105351.db2.gz AMURWJHHYJSXDX-JTHBVZDNSA-N 2 1 382.548 3.625 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000415117035 839230574 /nfs/dbraw/zinc/23/05/74/839230574.db2.gz ZETXIDOTHFMYMQ-SJORKVTESA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+]C1(CNCc2ccccc2OC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000415125434 839246841 /nfs/dbraw/zinc/24/68/41/839246841.db2.gz DWJQVXNXKGOQTF-UHFFFAOYSA-N 2 1 393.453 3.668 20 0 GHADMP [NH3+]C1(CNCc2ccc(F)c(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415136752 839262942 /nfs/dbraw/zinc/26/29/42/839262942.db2.gz RVOMHVBMZPMEJU-UHFFFAOYSA-N 2 1 395.444 3.928 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000415136790 839263014 /nfs/dbraw/zinc/26/30/14/839263014.db2.gz SDBBXOLPYMTMCM-ZJSXRUAMSA-N 2 1 398.639 3.613 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000613670660 839414695 /nfs/dbraw/zinc/41/46/95/839414695.db2.gz LMTXBOSADUISEX-JRGCBEDISA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000613670660 839414699 /nfs/dbraw/zinc/41/46/99/839414699.db2.gz LMTXBOSADUISEX-JRGCBEDISA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1ccsc1 ZINC000613670660 839414704 /nfs/dbraw/zinc/41/47/04/839414704.db2.gz LMTXBOSADUISEX-JRGCBEDISA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1ccsc1 ZINC000613670660 839414709 /nfs/dbraw/zinc/41/47/09/839414709.db2.gz LMTXBOSADUISEX-JRGCBEDISA-N 2 1 383.561 3.664 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1F ZINC000535777500 844437580 /nfs/dbraw/zinc/43/75/80/844437580.db2.gz LKVZTYMDXWNITE-QAPCUYQASA-N 2 1 377.529 3.535 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000580460853 839594174 /nfs/dbraw/zinc/59/41/74/839594174.db2.gz KBAZXGOUFLSEDZ-SGNDLWITSA-N 2 1 385.596 3.520 20 0 GHADMP CN1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000580460853 839594179 /nfs/dbraw/zinc/59/41/79/839594179.db2.gz KBAZXGOUFLSEDZ-SGNDLWITSA-N 2 1 385.596 3.520 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000580551972 839795213 /nfs/dbraw/zinc/79/52/13/839795213.db2.gz FTIZAODVYWHCDK-JOCHJYFZSA-N 2 1 377.532 3.537 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431849168 839920664 /nfs/dbraw/zinc/92/06/64/839920664.db2.gz CAAQRXFHYQZWLO-UEVCKROQSA-N 2 1 379.548 3.849 20 0 GHADMP CCN(C(=O)NCc1ccc([C@H](C)[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418482369 840301577 /nfs/dbraw/zinc/30/15/77/840301577.db2.gz FAUSMHDWYZAISS-AVRDEDQJSA-N 2 1 380.536 3.512 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563086241 844526036 /nfs/dbraw/zinc/52/60/36/844526036.db2.gz FCYSBHNGZNDHLI-DCPHZVHLSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563086241 844526043 /nfs/dbraw/zinc/52/60/43/844526043.db2.gz FCYSBHNGZNDHLI-DCPHZVHLSA-N 2 1 381.923 3.509 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)CC2)[nH+]c1 ZINC000364438929 840322240 /nfs/dbraw/zinc/32/22/40/840322240.db2.gz ANQRKCOSGRRTPA-UHFFFAOYSA-N 2 1 398.595 3.767 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417032282 840393441 /nfs/dbraw/zinc/39/34/41/840393441.db2.gz DVDQRULGWOVECT-AVRDEDQJSA-N 2 1 382.552 3.793 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(I)cc1 ZINC000610799534 844536705 /nfs/dbraw/zinc/53/67/05/844536705.db2.gz PFKSGBGISWLGHC-ULQDDVLXSA-N 2 1 384.305 3.959 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000417213109 840588510 /nfs/dbraw/zinc/58/85/10/840588510.db2.gz FSNKNCHNOSKMLC-XMMPIXPASA-N 2 1 398.595 3.736 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000417221525 840615904 /nfs/dbraw/zinc/61/59/04/840615904.db2.gz OWEUBWYARCWWTL-RXVVDRJESA-N 2 1 386.584 3.768 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417222532 840617069 /nfs/dbraw/zinc/61/70/69/840617069.db2.gz QEKZZUMEIPBJRB-COPCDDAFSA-N 2 1 380.536 3.601 20 0 GHADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)Cn1c3ccccc3c3ccccc31)CC2 ZINC000544133310 840714254 /nfs/dbraw/zinc/71/42/54/840714254.db2.gz WXIHKTPVXGHKLH-IBGZPJMESA-N 2 1 377.532 3.716 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000581126699 840742841 /nfs/dbraw/zinc/74/28/41/840742841.db2.gz BBKRIXJRSHEBRP-GZGNHOFSSA-N 2 1 396.575 3.783 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473027325 840789527 /nfs/dbraw/zinc/78/95/27/840789527.db2.gz YYZBERNXBSJVNF-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cc(C2CC2)ccn1 ZINC000584811217 840955928 /nfs/dbraw/zinc/95/59/28/840955928.db2.gz ZYYQPTHSHAZVJH-UHFFFAOYSA-N 2 1 399.583 3.619 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](C)C[C@@H]2c2ccccc2)cc1 ZINC000497418454 840988656 /nfs/dbraw/zinc/98/86/56/840988656.db2.gz PVOJKJGUALLNRH-DHIUTWEWSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000497418454 840988661 /nfs/dbraw/zinc/98/86/61/840988661.db2.gz PVOJKJGUALLNRH-DHIUTWEWSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000497418454 840988667 /nfs/dbraw/zinc/98/86/67/840988667.db2.gz PVOJKJGUALLNRH-DHIUTWEWSA-N 2 1 379.548 3.746 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C2 ZINC000660656330 841069669 /nfs/dbraw/zinc/06/96/69/841069669.db2.gz LIGOIDXLNDMNHM-GOTSBHOMSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C2 ZINC000660656330 841069681 /nfs/dbraw/zinc/06/96/81/841069681.db2.gz LIGOIDXLNDMNHM-GOTSBHOMSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C2 ZINC000660656330 841069692 /nfs/dbraw/zinc/06/96/92/841069692.db2.gz LIGOIDXLNDMNHM-GOTSBHOMSA-N 2 1 397.588 3.762 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000417849581 841219683 /nfs/dbraw/zinc/21/96/83/841219683.db2.gz CSGDUJKVXMGZBI-SFHVURJKSA-N 2 1 391.519 3.802 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSc3ccc(F)cc3F)CC2)CC1 ZINC000660834041 841221994 /nfs/dbraw/zinc/22/19/94/841221994.db2.gz KLXIKMIMJZIMTQ-UHFFFAOYSA-N 2 1 383.552 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)cc1 ZINC000592484309 841266814 /nfs/dbraw/zinc/26/68/14/841266814.db2.gz BZEXTALIARATAM-DENIHFKCSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000592484309 841266825 /nfs/dbraw/zinc/26/68/25/841266825.db2.gz BZEXTALIARATAM-DENIHFKCSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000592484309 841266834 /nfs/dbraw/zinc/26/68/34/841266834.db2.gz BZEXTALIARATAM-DENIHFKCSA-N 2 1 398.595 3.877 20 0 GHADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430588142 841272212 /nfs/dbraw/zinc/27/22/12/841272212.db2.gz YMFAOXLIPJZXQW-UHFFFAOYSA-N 2 1 375.557 3.702 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2C(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000417948143 841307875 /nfs/dbraw/zinc/30/78/75/841307875.db2.gz HLCURXYDELTHKI-TZIWHRDSSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417991752 841361019 /nfs/dbraw/zinc/36/10/19/841361019.db2.gz LLOHHCZPVRWDOE-JEBQAFNWSA-N 2 1 398.954 3.820 20 0 GHADMP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417991752 841361032 /nfs/dbraw/zinc/36/10/32/841361032.db2.gz LLOHHCZPVRWDOE-JEBQAFNWSA-N 2 1 398.954 3.820 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000500132507 841499992 /nfs/dbraw/zinc/49/99/92/841499992.db2.gz MFINENXQMZBYGO-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000418148853 841571766 /nfs/dbraw/zinc/57/17/66/841571766.db2.gz AKYVZUOGMMFIAO-AVRDEDQJSA-N 2 1 394.563 3.806 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000581517174 841577317 /nfs/dbraw/zinc/57/73/17/841577317.db2.gz RTEXOCLUQGGHJK-UIFIKXQLSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000581517174 841577327 /nfs/dbraw/zinc/57/73/27/841577327.db2.gz RTEXOCLUQGGHJK-UIFIKXQLSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000581517174 841577337 /nfs/dbraw/zinc/57/73/37/841577337.db2.gz RTEXOCLUQGGHJK-UIFIKXQLSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000581517174 841577345 /nfs/dbraw/zinc/57/73/45/841577345.db2.gz RTEXOCLUQGGHJK-UIFIKXQLSA-N 2 1 390.568 3.540 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000418251468 841691115 /nfs/dbraw/zinc/69/11/15/841691115.db2.gz WPKQOXUKCMALHK-SFHVURJKSA-N 2 1 380.536 3.560 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OCc1cccnc1 ZINC000656784148 841921810 /nfs/dbraw/zinc/92/18/10/841921810.db2.gz ZAAQADIKGVKAEZ-JOCHJYFZSA-N 2 1 395.547 3.881 20 0 GHADMP Clc1oc2ccccc2c1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509710 842060330 /nfs/dbraw/zinc/06/03/30/842060330.db2.gz CIAGTCWRBVMFEZ-HNNXBMFYSA-N 2 1 399.926 3.599 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001167827036 842064306 /nfs/dbraw/zinc/06/43/06/842064306.db2.gz RRIVQMKRKWEIJC-QEUVDIPISA-N 2 1 395.613 3.650 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1(C)C ZINC000623643443 861266876 /nfs/dbraw/zinc/26/68/76/861266876.db2.gz YLVNITCHHQTWDF-DENIHFKCSA-N 2 1 377.532 3.846 20 0 GHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)sc1Br ZINC000511997330 842072882 /nfs/dbraw/zinc/07/28/82/842072882.db2.gz RRMNFUONJPBQGF-NWANDNLSSA-N 2 1 387.387 3.847 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175368 842101932 /nfs/dbraw/zinc/10/19/32/842101932.db2.gz LNUXGJCDAPBVGN-XZOQPEGZSA-N 2 1 394.559 3.830 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175368 842101933 /nfs/dbraw/zinc/10/19/33/842101933.db2.gz LNUXGJCDAPBVGN-XZOQPEGZSA-N 2 1 394.559 3.830 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)sc1Br ZINC000512029472 842199344 /nfs/dbraw/zinc/19/93/44/842199344.db2.gz CLLRDUYCKAKXQQ-KBPBESRZSA-N 2 1 375.376 3.707 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000661859475 842241417 /nfs/dbraw/zinc/24/14/17/842241417.db2.gz YGDFCGXXPQJFRW-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661859475 842241424 /nfs/dbraw/zinc/24/14/24/842241424.db2.gz YGDFCGXXPQJFRW-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661859475 842241430 /nfs/dbraw/zinc/24/14/30/842241430.db2.gz YGDFCGXXPQJFRW-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)s1 ZINC000512038354 842252373 /nfs/dbraw/zinc/25/23/73/842252373.db2.gz UHUIIBMUDCHIGK-UHFFFAOYSA-N 2 1 379.957 3.696 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000661898823 842297235 /nfs/dbraw/zinc/29/72/35/842297235.db2.gz SPRPSSJXIFRZRX-NLWGTHIKSA-N 2 1 392.613 3.551 20 0 GHADMP C(CCC[N@H+]1CC[C@@H](N2CCCCC2)C1)CC[NH+]1CC[C@@H](N2CCCCC2)C1 ZINC000730808010 861295274 /nfs/dbraw/zinc/29/52/74/861295274.db2.gz FGURUAHKLGBYFS-DNQXCXABSA-N 2 1 390.660 3.667 20 0 GHADMP C(CCC[N@@H+]1CC[C@@H](N2CCCCC2)C1)CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730808010 861295293 /nfs/dbraw/zinc/29/52/93/861295293.db2.gz FGURUAHKLGBYFS-DNQXCXABSA-N 2 1 390.660 3.667 20 0 GHADMP C(CCC[N@H+]1CC[C@@H](N2CCCCC2)C1)CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730808010 861295298 /nfs/dbraw/zinc/29/52/98/861295298.db2.gz FGURUAHKLGBYFS-DNQXCXABSA-N 2 1 390.660 3.667 20 0 GHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)n2)cc1 ZINC000652347092 842316318 /nfs/dbraw/zinc/31/63/18/842316318.db2.gz RHPXRWZRSXJBFL-UFYCRDLUSA-N 2 1 384.524 3.578 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCC[C@H]1C ZINC000050136967 842541756 /nfs/dbraw/zinc/54/17/56/842541756.db2.gz NDDZSTXUAGNSMG-QYZOEREBSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1CCCC[C@H]1C ZINC000050136967 842541766 /nfs/dbraw/zinc/54/17/66/842541766.db2.gz NDDZSTXUAGNSMG-QYZOEREBSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1CCCC[C@H]1C ZINC000050136967 842541779 /nfs/dbraw/zinc/54/17/79/842541779.db2.gz NDDZSTXUAGNSMG-QYZOEREBSA-N 2 1 392.613 3.522 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc1)CC2 ZINC000581901501 842555713 /nfs/dbraw/zinc/55/57/13/842555713.db2.gz WVPXPBYOSMCPOZ-JBYIUTFZSA-N 2 1 394.563 3.548 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000662092383 842632586 /nfs/dbraw/zinc/63/25/86/842632586.db2.gz LJRWUUIJXUUWIV-IBGZPJMESA-N 2 1 380.374 3.612 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]2c2ccc(Br)cc2)CC1 ZINC000662092383 842632590 /nfs/dbraw/zinc/63/25/90/842632590.db2.gz LJRWUUIJXUUWIV-IBGZPJMESA-N 2 1 380.374 3.612 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000279168239 842663312 /nfs/dbraw/zinc/66/33/12/842663312.db2.gz BLORCYAIWGYOIX-QGZVFWFLSA-N 2 1 397.519 3.539 20 0 GHADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000430717317 842890808 /nfs/dbraw/zinc/89/08/08/842890808.db2.gz YMJCCLDFDNOCOB-UZKOGDIHSA-N 2 1 387.568 3.652 20 0 GHADMP COc1cccc([C@H]2[C@H](NC(=O)CC[NH+](C)C3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000548392800 843100264 /nfs/dbraw/zinc/10/02/64/843100264.db2.gz ZZTHIKCTJKKDTR-VWNXMTODSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc([C@H]2[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)CC[NH+]2C2CC2)c1 ZINC000548392800 843100265 /nfs/dbraw/zinc/10/02/65/843100265.db2.gz ZZTHIKCTJKKDTR-VWNXMTODSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc([C@H]2[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)CC[NH+]2C2CC2)c1 ZINC000548392800 843100268 /nfs/dbraw/zinc/10/02/68/843100268.db2.gz ZZTHIKCTJKKDTR-VWNXMTODSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000062427023 843107350 /nfs/dbraw/zinc/10/73/50/843107350.db2.gz OAMUVYLRYZYMGD-NRFANRHFSA-N 2 1 389.547 3.813 20 0 GHADMP COc1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213838 843108838 /nfs/dbraw/zinc/10/88/38/843108838.db2.gz UHHZLNIFVVZEQT-MSOLQXFVSA-N 2 1 376.541 3.799 20 0 GHADMP CCC1(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000510643471 843116945 /nfs/dbraw/zinc/11/69/45/843116945.db2.gz FOYOYQDQEUHOHZ-FQEVSTJZSA-N 2 1 398.595 3.628 20 0 GHADMP O=c1[nH]c2ccccc2cc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326888 843155296 /nfs/dbraw/zinc/15/52/96/843155296.db2.gz GJQOLFSLCXTHMJ-UHFFFAOYSA-N 2 1 391.519 3.510 20 0 GHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2ccccc21 ZINC000512236517 843176920 /nfs/dbraw/zinc/17/69/20/843176920.db2.gz ICXGNGGSTWPIEL-RUZDIDTESA-N 2 1 389.543 3.564 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc21 ZINC000512236517 843176934 /nfs/dbraw/zinc/17/69/34/843176934.db2.gz ICXGNGGSTWPIEL-RUZDIDTESA-N 2 1 389.543 3.564 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc21 ZINC000512236517 843176942 /nfs/dbraw/zinc/17/69/42/843176942.db2.gz ICXGNGGSTWPIEL-RUZDIDTESA-N 2 1 389.543 3.564 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c2C)cc1 ZINC000663345871 843259684 /nfs/dbraw/zinc/25/96/84/843259684.db2.gz NDJRBOIWWQJPBC-QFIPXVFZSA-N 2 1 396.579 3.768 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c2C)cc1 ZINC000663345871 843259696 /nfs/dbraw/zinc/25/96/96/843259696.db2.gz NDJRBOIWWQJPBC-QFIPXVFZSA-N 2 1 396.579 3.768 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662467451 843295431 /nfs/dbraw/zinc/29/54/31/843295431.db2.gz BBQRUFKTQWRYRI-APWZRJJASA-N 2 1 383.561 3.519 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000051501863 843333283 /nfs/dbraw/zinc/33/32/83/843333283.db2.gz HUUVBXXQTVJACM-IBGZPJMESA-N 2 1 385.577 3.784 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000051501863 843333289 /nfs/dbraw/zinc/33/32/89/843333289.db2.gz HUUVBXXQTVJACM-IBGZPJMESA-N 2 1 385.577 3.784 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2cccs2)CC1 ZINC000051501863 843333298 /nfs/dbraw/zinc/33/32/98/843333298.db2.gz HUUVBXXQTVJACM-IBGZPJMESA-N 2 1 385.577 3.784 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2cccs2)CC1 ZINC000051501863 843333305 /nfs/dbraw/zinc/33/33/05/843333305.db2.gz HUUVBXXQTVJACM-IBGZPJMESA-N 2 1 385.577 3.784 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000662512547 843377044 /nfs/dbraw/zinc/37/70/44/843377044.db2.gz SCGAVGFYVMHEQJ-NYVOZVTQSA-N 2 1 397.950 3.894 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000662512547 843377053 /nfs/dbraw/zinc/37/70/53/843377053.db2.gz SCGAVGFYVMHEQJ-NYVOZVTQSA-N 2 1 397.950 3.894 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000512349915 843494405 /nfs/dbraw/zinc/49/44/05/843494405.db2.gz CSBDSIOYBYCVQG-KGEPOTPBSA-N 2 1 380.532 3.593 20 0 GHADMP CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418662841 843511291 /nfs/dbraw/zinc/51/12/91/843511291.db2.gz FJVBMBXVFCRKAX-XWUOBKMESA-N 2 1 386.584 3.619 20 0 GHADMP CCC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000431067489 843517333 /nfs/dbraw/zinc/51/73/33/843517333.db2.gz FEPGXAIWMXWHCK-JOCHJYFZSA-N 2 1 385.577 3.726 20 0 GHADMP CCC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000431067489 843517342 /nfs/dbraw/zinc/51/73/42/843517342.db2.gz FEPGXAIWMXWHCK-JOCHJYFZSA-N 2 1 385.577 3.726 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662684770 843518216 /nfs/dbraw/zinc/51/82/16/843518216.db2.gz IRSPVZUDTSMZRJ-SFHVURJKSA-N 2 1 380.414 3.535 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000512393095 843626586 /nfs/dbraw/zinc/62/65/86/843626586.db2.gz NUWKUQMDODMKHC-ADHNFCLRSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512393095 843626588 /nfs/dbraw/zinc/62/65/88/843626588.db2.gz NUWKUQMDODMKHC-ADHNFCLRSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512393095 843626593 /nfs/dbraw/zinc/62/65/93/843626593.db2.gz NUWKUQMDODMKHC-ADHNFCLRSA-N 2 1 398.595 3.555 20 0 GHADMP COc1cc(Br)ccc1CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511989647 843690830 /nfs/dbraw/zinc/69/08/30/843690830.db2.gz LUNVEEAKJPEUIG-UHFFFAOYSA-N 2 1 398.370 3.698 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)c2)cc1 ZINC000092253527 843728543 /nfs/dbraw/zinc/72/85/43/843728543.db2.gz JGHDJQJDRLLJHT-LJQANCHMSA-N 2 1 381.520 3.721 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)c2)cc1 ZINC000092253527 843728555 /nfs/dbraw/zinc/72/85/55/843728555.db2.gz JGHDJQJDRLLJHT-LJQANCHMSA-N 2 1 381.520 3.721 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)c2)cc1 ZINC000092253527 843728569 /nfs/dbraw/zinc/72/85/69/843728569.db2.gz JGHDJQJDRLLJHT-LJQANCHMSA-N 2 1 381.520 3.721 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000092253527 843728574 /nfs/dbraw/zinc/72/85/74/843728574.db2.gz JGHDJQJDRLLJHT-LJQANCHMSA-N 2 1 381.520 3.721 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000500610795 843732190 /nfs/dbraw/zinc/73/21/90/843732190.db2.gz QXLALDHEUVVQCM-YXPKMTABSA-N 2 1 398.595 3.555 20 0 GHADMP Fc1cc(F)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549881928 843807744 /nfs/dbraw/zinc/80/77/44/843807744.db2.gz CNXZMPOVOLZHNF-FQEVSTJZSA-N 2 1 386.486 3.983 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000500688026 843836773 /nfs/dbraw/zinc/83/67/73/843836773.db2.gz PAOHKWIZSURHOQ-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000500688026 843836788 /nfs/dbraw/zinc/83/67/88/843836788.db2.gz PAOHKWIZSURHOQ-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000500688026 843836801 /nfs/dbraw/zinc/83/68/01/843836801.db2.gz PAOHKWIZSURHOQ-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000433237016 843887166 /nfs/dbraw/zinc/88/71/66/843887166.db2.gz ZOZXHZXPQAERPA-UHFFFAOYSA-N 2 1 385.939 3.750 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000433237016 843887176 /nfs/dbraw/zinc/88/71/76/843887176.db2.gz ZOZXHZXPQAERPA-UHFFFAOYSA-N 2 1 385.939 3.750 20 0 GHADMP Cc1cc(C)cc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000432809498 843921185 /nfs/dbraw/zinc/92/11/85/843921185.db2.gz PYHULUXSTWHJLY-UHFFFAOYSA-N 2 1 393.575 3.824 20 0 GHADMP Cc1cc(C)cc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000432809498 843921192 /nfs/dbraw/zinc/92/11/92/843921192.db2.gz PYHULUXSTWHJLY-UHFFFAOYSA-N 2 1 393.575 3.824 20 0 GHADMP [NH3+][C@H]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000238011807 843996604 /nfs/dbraw/zinc/99/66/04/843996604.db2.gz VOKODFLEKZJETC-CABCVRRESA-N 2 1 384.351 3.592 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181186231 844823146 /nfs/dbraw/zinc/82/31/46/844823146.db2.gz RNHIILCAOVXNLY-QGZVFWFLSA-N 2 1 381.307 3.626 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181186231 844823155 /nfs/dbraw/zinc/82/31/55/844823155.db2.gz RNHIILCAOVXNLY-QGZVFWFLSA-N 2 1 381.307 3.626 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512630611 844837162 /nfs/dbraw/zinc/83/71/62/844837162.db2.gz NRPIFZKYLVTEOT-RBZQAINGSA-N 2 1 391.559 3.779 20 0 GHADMP CCO[C@@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCC[C@H](OCC)C3)cc(OC)c2)C1 ZINC000644994467 844839714 /nfs/dbraw/zinc/83/97/14/844839714.db2.gz XSQNREJYRJUMEO-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP CCO[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](OCC)C3)cc(OC)c2)C1 ZINC000644994467 844839744 /nfs/dbraw/zinc/83/97/44/844839744.db2.gz XSQNREJYRJUMEO-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP CCO[C@@H]1CCC[NH+](Cc2cc(C[N@H+]3CCC[C@H](OCC)C3)cc(OC)c2)C1 ZINC000644994467 844839754 /nfs/dbraw/zinc/83/97/54/844839754.db2.gz XSQNREJYRJUMEO-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236676656 845158944 /nfs/dbraw/zinc/15/89/44/845158944.db2.gz YXGVMOZBEWWIQD-FUHWJXTLSA-N 2 1 399.501 3.970 20 0 GHADMP FC(F)(F)c1cnc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000246570097 845201292 /nfs/dbraw/zinc/20/12/92/845201292.db2.gz XWLCGEHSMCGCER-KGLIPLIRSA-N 2 1 377.838 3.739 20 0 GHADMP COc1ccc(F)c(F)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001143421767 845206339 /nfs/dbraw/zinc/20/63/39/845206339.db2.gz XYSOXZQIKHNJLF-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000664009355 845351583 /nfs/dbraw/zinc/35/15/83/845351583.db2.gz GILGUTHYRQVIKW-UHFFFAOYSA-N 2 1 390.325 3.688 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CCC([N@H+]4CCCOCC4)CC3)c2c1 ZINC000664009355 845351595 /nfs/dbraw/zinc/35/15/95/845351595.db2.gz GILGUTHYRQVIKW-UHFFFAOYSA-N 2 1 390.325 3.688 20 0 GHADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118550 845374873 /nfs/dbraw/zinc/37/48/73/845374873.db2.gz XLXRXASXPZPADF-NRFANRHFSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513495345 845529073 /nfs/dbraw/zinc/52/90/73/845529073.db2.gz OLOKZAURHOGWPK-UYAOXDASSA-N 2 1 375.520 3.862 20 0 GHADMP COc1ccccc1-n1nccc1CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000430030210 845607875 /nfs/dbraw/zinc/60/78/75/845607875.db2.gz ZWGAXLDBDCNIRB-SFHVURJKSA-N 2 1 396.560 3.944 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000430030210 845607879 /nfs/dbraw/zinc/60/78/79/845607879.db2.gz ZWGAXLDBDCNIRB-SFHVURJKSA-N 2 1 396.560 3.944 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000430030210 845607885 /nfs/dbraw/zinc/60/78/85/845607885.db2.gz ZWGAXLDBDCNIRB-SFHVURJKSA-N 2 1 396.560 3.944 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@](C)(OC)C2)cc(C[N@H+]2CCC[C@](C)(OC)C2)c1 ZINC000433181451 845619111 /nfs/dbraw/zinc/61/91/11/845619111.db2.gz JZHCKSLYQQPQEX-ZRZAMGCNSA-N 2 1 390.568 3.697 20 0 GHADMP COc1cc(C[NH+]2CCC[C@](C)(OC)C2)cc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000433181451 845619117 /nfs/dbraw/zinc/61/91/17/845619117.db2.gz JZHCKSLYQQPQEX-ZRZAMGCNSA-N 2 1 390.568 3.697 20 0 GHADMP COc1cc(C[NH+]2CCC[C@](C)(OC)C2)cc(C[N@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000433181451 845619119 /nfs/dbraw/zinc/61/91/19/845619119.db2.gz JZHCKSLYQQPQEX-ZRZAMGCNSA-N 2 1 390.568 3.697 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)o1 ZINC000673754050 861594844 /nfs/dbraw/zinc/59/48/44/861594844.db2.gz UXJTZTYISQDXTG-IBGZPJMESA-N 2 1 383.536 3.858 20 0 GHADMP CN(CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)CC[C@H]1CCCC[N@H+]1C ZINC001167509786 845865708 /nfs/dbraw/zinc/86/57/08/845865708.db2.gz PXOFYKFCKPYCGG-OAQYLSRUSA-N 2 1 393.019 3.658 20 0 GHADMP C[N@H+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC[C@H]1CCCC[NH+]1C ZINC001167509786 845865719 /nfs/dbraw/zinc/86/57/19/845865719.db2.gz PXOFYKFCKPYCGG-OAQYLSRUSA-N 2 1 393.019 3.658 20 0 GHADMP C[N@@H+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC[C@H]1CCCC[NH+]1C ZINC001167509786 845865728 /nfs/dbraw/zinc/86/57/28/845865728.db2.gz PXOFYKFCKPYCGG-OAQYLSRUSA-N 2 1 393.019 3.658 20 0 GHADMP C[NH+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC[C@H]1CCCC[N@@H+]1C ZINC001167509786 845865735 /nfs/dbraw/zinc/86/57/35/845865735.db2.gz PXOFYKFCKPYCGG-OAQYLSRUSA-N 2 1 393.019 3.658 20 0 GHADMP C[NH+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC[C@H]1CCCC[N@H+]1C ZINC001167509786 845865739 /nfs/dbraw/zinc/86/57/39/845865739.db2.gz PXOFYKFCKPYCGG-OAQYLSRUSA-N 2 1 393.019 3.658 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657311527 846035451 /nfs/dbraw/zinc/03/54/51/846035451.db2.gz MQWPQWNEGOFUQA-HNNXBMFYSA-N 2 1 380.458 3.961 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657311527 846035457 /nfs/dbraw/zinc/03/54/57/846035457.db2.gz MQWPQWNEGOFUQA-HNNXBMFYSA-N 2 1 380.458 3.961 20 0 GHADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1 ZINC000502547645 846187701 /nfs/dbraw/zinc/18/77/01/846187701.db2.gz WFYLPRDABNXKNI-NZQKXSOJSA-N 2 1 396.575 3.636 20 0 GHADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1 ZINC000502547645 846187703 /nfs/dbraw/zinc/18/77/03/846187703.db2.gz WFYLPRDABNXKNI-NZQKXSOJSA-N 2 1 396.575 3.636 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000421681610 846484227 /nfs/dbraw/zinc/48/42/27/846484227.db2.gz YLCMFZSNUPQVCK-UHFFFAOYSA-N 2 1 379.548 3.921 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000502811628 846494096 /nfs/dbraw/zinc/49/40/96/846494096.db2.gz RERTYWIXJBGGQE-FQEVSTJZSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000158107528 846494207 /nfs/dbraw/zinc/49/42/07/846494207.db2.gz HSACFOGTJGYVKP-UHFFFAOYSA-N 2 1 390.597 3.574 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559566307 846501397 /nfs/dbraw/zinc/50/13/97/846501397.db2.gz FQZBFYQXZJIEHW-LIRRHRJNSA-N 2 1 386.858 3.550 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000502821976 846515303 /nfs/dbraw/zinc/51/53/03/846515303.db2.gz AOYIJGVEWPJNMK-IRLDBZIGSA-N 2 1 386.584 3.635 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000502838333 846533082 /nfs/dbraw/zinc/53/30/82/846533082.db2.gz DAHBWOLNBJZVRP-OALUTQOASA-N 2 1 392.613 3.839 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167553241 846580001 /nfs/dbraw/zinc/58/00/01/846580001.db2.gz CWHTYIIQCBIBOO-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167553241 846580011 /nfs/dbraw/zinc/58/00/11/846580011.db2.gz CWHTYIIQCBIBOO-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167553241 846580023 /nfs/dbraw/zinc/58/00/23/846580023.db2.gz CWHTYIIQCBIBOO-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP CC[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC1(C)C ZINC000419597520 846682563 /nfs/dbraw/zinc/68/25/63/846682563.db2.gz RNFKPLSRDMYSPM-NHCUHLMSSA-N 2 1 392.632 3.649 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501150360 846698764 /nfs/dbraw/zinc/69/87/64/846698764.db2.gz LNXGLYKDSTWESV-PKOBYXMFSA-N 2 1 380.602 3.695 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCN(c4ccccc4)C3=O)cc2)CC1 ZINC000161196492 846708016 /nfs/dbraw/zinc/70/80/16/846708016.db2.gz AXTAGSFVRSAWAM-QHCPKHFHSA-N 2 1 392.547 3.682 20 0 GHADMP Clc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1I ZINC000503088120 846794765 /nfs/dbraw/zinc/79/47/65/846794765.db2.gz UXDZAQXCPYEVRZ-QWHCGFSZSA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1I ZINC000503088120 846794771 /nfs/dbraw/zinc/79/47/71/846794771.db2.gz UXDZAQXCPYEVRZ-QWHCGFSZSA-N 2 1 390.696 3.661 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657386699 846801135 /nfs/dbraw/zinc/80/11/35/846801135.db2.gz JJZJJQZTGQMRIK-VEXUSMLFSA-N 2 1 380.532 3.855 20 0 GHADMP NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513714124 846903680 /nfs/dbraw/zinc/90/36/80/846903680.db2.gz YQURIZVWTYIGRE-XPWALMASSA-N 2 1 377.532 3.566 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000511103891 846958431 /nfs/dbraw/zinc/95/84/31/846958431.db2.gz DAEQOZLRWXHZRH-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)N1CCOCC1 ZINC000582368925 846969833 /nfs/dbraw/zinc/96/98/33/846969833.db2.gz VUPBFGTVECJQFU-SIKLNZKXSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000582368925 846969835 /nfs/dbraw/zinc/96/98/35/846969835.db2.gz VUPBFGTVECJQFU-SIKLNZKXSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000582368925 846969843 /nfs/dbraw/zinc/96/98/43/846969843.db2.gz VUPBFGTVECJQFU-SIKLNZKXSA-N 2 1 393.531 3.540 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000501517350 846978724 /nfs/dbraw/zinc/97/87/24/846978724.db2.gz GKDOAYVNUSHEJB-MOPGFXCFSA-N 2 1 394.629 3.864 20 0 GHADMP C[N@H+](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CCCC1 ZINC000501525236 846985299 /nfs/dbraw/zinc/98/52/99/846985299.db2.gz UXNLXAXQNDRAQA-UHFFFAOYSA-N 2 1 391.559 3.795 20 0 GHADMP C[N@@H+](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CCCC1 ZINC000501525236 846985302 /nfs/dbraw/zinc/98/53/02/846985302.db2.gz UXNLXAXQNDRAQA-UHFFFAOYSA-N 2 1 391.559 3.795 20 0 GHADMP C[N@@H+](CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCCCC1 ZINC000501574961 847032675 /nfs/dbraw/zinc/03/26/75/847032675.db2.gz UXCGBPMAFXFLOZ-QFIPXVFZSA-N 2 1 386.584 3.777 20 0 GHADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272311288 847045042 /nfs/dbraw/zinc/04/50/42/847045042.db2.gz IZJRJSNNMSYESQ-ZVDOUQERSA-N 2 1 395.547 3.913 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544206127 847076462 /nfs/dbraw/zinc/07/64/62/847076462.db2.gz MKQFGNCTBBHBRC-AZUAARDMSA-N 2 1 386.584 3.874 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544206127 847076465 /nfs/dbraw/zinc/07/64/65/847076465.db2.gz MKQFGNCTBBHBRC-AZUAARDMSA-N 2 1 386.584 3.874 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272473098 847085923 /nfs/dbraw/zinc/08/59/23/847085923.db2.gz RYKDAKROGCYHPY-ICSRJNTNSA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272473098 847085934 /nfs/dbraw/zinc/08/59/34/847085934.db2.gz RYKDAKROGCYHPY-ICSRJNTNSA-N 2 1 381.524 3.613 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000475004364 861752980 /nfs/dbraw/zinc/75/29/80/861752980.db2.gz RWPSIOLHWCCLSA-RBBKRZOGSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000475004364 861752991 /nfs/dbraw/zinc/75/29/91/861752991.db2.gz RWPSIOLHWCCLSA-RBBKRZOGSA-N 2 1 387.543 3.515 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(OC)c(OC)c1 ZINC000272717417 847154511 /nfs/dbraw/zinc/15/45/11/847154511.db2.gz DISVYXLTCLKVBQ-NHCUHLMSSA-N 2 1 384.520 3.511 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000501788426 847184526 /nfs/dbraw/zinc/18/45/26/847184526.db2.gz FZYAVZIMCKJUKD-UHFFFAOYSA-N 2 1 394.625 3.812 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000272905238 847204626 /nfs/dbraw/zinc/20/46/26/847204626.db2.gz QIWAFSHOTNHKMP-PXNSSMCTSA-N 2 1 393.597 3.687 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000272905238 847204634 /nfs/dbraw/zinc/20/46/34/847204634.db2.gz QIWAFSHOTNHKMP-PXNSSMCTSA-N 2 1 393.597 3.687 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501828455 847219602 /nfs/dbraw/zinc/21/96/02/847219602.db2.gz PJLFVQKFWBKIGF-RBBKRZOGSA-N 2 1 386.584 3.635 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657431005 847255199 /nfs/dbraw/zinc/25/51/99/847255199.db2.gz XJCBATIHGQQJET-LJQANCHMSA-N 2 1 394.437 3.674 20 0 GHADMP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000501851069 847256984 /nfs/dbraw/zinc/25/69/84/847256984.db2.gz MRDXEZXWZBZNGL-XZOQPEGZSA-N 2 1 392.547 3.522 20 0 GHADMP C[N@H+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000501851069 847256997 /nfs/dbraw/zinc/25/69/97/847256997.db2.gz MRDXEZXWZBZNGL-XZOQPEGZSA-N 2 1 392.547 3.522 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000277625355 847320205 /nfs/dbraw/zinc/32/02/05/847320205.db2.gz XJCFOTKTAAOICD-NRFANRHFSA-N 2 1 375.520 3.850 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000277625355 847320214 /nfs/dbraw/zinc/32/02/14/847320214.db2.gz XJCFOTKTAAOICD-NRFANRHFSA-N 2 1 375.520 3.850 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503199314 847460513 /nfs/dbraw/zinc/46/05/13/847460513.db2.gz PHRQCKUEWPTFSI-ZIFCJYIRSA-N 2 1 395.551 3.646 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000503199314 847460522 /nfs/dbraw/zinc/46/05/22/847460522.db2.gz PHRQCKUEWPTFSI-ZIFCJYIRSA-N 2 1 395.551 3.646 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503199312 847460892 /nfs/dbraw/zinc/46/08/92/847460892.db2.gz PHRQCKUEWPTFSI-JENIJYKNSA-N 2 1 395.551 3.646 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503199312 847460896 /nfs/dbraw/zinc/46/08/96/847460896.db2.gz PHRQCKUEWPTFSI-JENIJYKNSA-N 2 1 395.551 3.646 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000502158450 847561988 /nfs/dbraw/zinc/56/19/88/847561988.db2.gz POESXWSECYAZPU-KOUHRCEDSA-N 2 1 398.551 3.529 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420986795 847593946 /nfs/dbraw/zinc/59/39/46/847593946.db2.gz ZBBBGQAHBVTOLR-KRWDZBQOSA-N 2 1 381.511 3.841 20 0 GHADMP COCC[N@@H+](C)CC[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000422722730 847796595 /nfs/dbraw/zinc/79/65/95/847796595.db2.gz YSKZETUSNNRCKM-HJOGWXRNSA-N 2 1 381.564 3.779 20 0 GHADMP CCC(CC)[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+](C)C ZINC000133113534 847812693 /nfs/dbraw/zinc/81/26/93/847812693.db2.gz WZJUHXVKSMXLTE-HXUWFJFHSA-N 2 1 379.976 3.901 20 0 GHADMP C[C@@H]1C[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000422835350 847847499 /nfs/dbraw/zinc/84/74/99/847847499.db2.gz IKRKHGSCLXCQLM-YAYWFPAWSA-N 2 1 391.559 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCN1Cc1ccccc1 ZINC000422835350 847847503 /nfs/dbraw/zinc/84/75/03/847847503.db2.gz IKRKHGSCLXCQLM-YAYWFPAWSA-N 2 1 391.559 3.885 20 0 GHADMP COc1cc2[nH]c(CCC[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])cc2c(OC)c1 ZINC000422866340 847860705 /nfs/dbraw/zinc/86/07/05/847860705.db2.gz QEHDTKZSLCHBPD-KKSFZXQISA-N 2 1 381.520 3.666 20 0 GHADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422956995 847915516 /nfs/dbraw/zinc/91/55/16/847915516.db2.gz RVXRAYYJDJDDCE-FUHWJXTLSA-N 2 1 388.309 3.821 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423084209 847971513 /nfs/dbraw/zinc/97/15/13/847971513.db2.gz HSDNBBONTUTJPI-UKRRQHHQSA-N 2 1 392.487 3.509 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Br)cn1 ZINC000423095881 847977234 /nfs/dbraw/zinc/97/72/34/847977234.db2.gz NJICIPXBTOEKKO-BOFPYLFWSA-N 2 1 388.309 3.751 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccc(F)cc4)o3)cc2)C1 ZINC000657595914 848290919 /nfs/dbraw/zinc/29/09/19/848290919.db2.gz SMQDPLUKXNUEKP-OAQYLSRUSA-N 2 1 380.463 3.942 20 0 GHADMP Brc1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000582791046 848394273 /nfs/dbraw/zinc/39/42/73/848394273.db2.gz OYHPTMYSYYHKKP-FQEVSTJZSA-N 2 1 387.321 3.668 20 0 GHADMP Brc1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000582791046 848394284 /nfs/dbraw/zinc/39/42/84/848394284.db2.gz OYHPTMYSYYHKKP-FQEVSTJZSA-N 2 1 387.321 3.668 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000078503889 848498548 /nfs/dbraw/zinc/49/85/48/848498548.db2.gz VTGNCYQBLAFHLR-OAQYLSRUSA-N 2 1 386.584 3.911 20 0 GHADMP O=C(NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000582904142 848676231 /nfs/dbraw/zinc/67/62/31/848676231.db2.gz DDDLEBZLJGMGIK-QFIPXVFZSA-N 2 1 395.522 3.732 20 0 GHADMP O=C(NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000582904142 848676238 /nfs/dbraw/zinc/67/62/38/848676238.db2.gz DDDLEBZLJGMGIK-QFIPXVFZSA-N 2 1 395.522 3.732 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC(C(F)(F)F)CC3)c2)C1 ZINC000123208853 849078584 /nfs/dbraw/zinc/07/85/84/849078584.db2.gz WAWNRDILSKKWDQ-VIQWUECVSA-N 2 1 397.485 3.595 20 0 GHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(c1ccccc1)c1ccccc1 ZINC000150818554 849302437 /nfs/dbraw/zinc/30/24/37/849302437.db2.gz OCCWTAGEUYZBDG-OAQYLSRUSA-N 2 1 391.559 3.700 20 0 GHADMP CCC(CC)(CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000511235037 849322856 /nfs/dbraw/zinc/32/28/56/849322856.db2.gz PKBCKRDOFKUQMQ-MOPGFXCFSA-N 2 1 386.584 3.846 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583231570 849389574 /nfs/dbraw/zinc/38/95/74/849389574.db2.gz NOSWDUCTCABQHC-JNCJJFRGSA-N 2 1 386.486 3.683 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583231570 849389582 /nfs/dbraw/zinc/38/95/82/849389582.db2.gz NOSWDUCTCABQHC-JNCJJFRGSA-N 2 1 386.486 3.683 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000583291954 849560326 /nfs/dbraw/zinc/56/03/26/849560326.db2.gz MXKBUDXSBQJZDW-JWQCQUIFSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000583291954 849560331 /nfs/dbraw/zinc/56/03/31/849560331.db2.gz MXKBUDXSBQJZDW-JWQCQUIFSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000583291954 849560336 /nfs/dbraw/zinc/56/03/36/849560336.db2.gz MXKBUDXSBQJZDW-JWQCQUIFSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000583291954 849560342 /nfs/dbraw/zinc/56/03/42/849560342.db2.gz MXKBUDXSBQJZDW-JWQCQUIFSA-N 2 1 386.543 3.885 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162846333 849576851 /nfs/dbraw/zinc/57/68/51/849576851.db2.gz LDJIIZZDXOVEBH-KSZLIROESA-N 2 1 388.556 3.511 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000511236724 849617691 /nfs/dbraw/zinc/61/76/91/849617691.db2.gz XDSFXRDNQNISAQ-WOIUINJBSA-N 2 1 386.584 3.702 20 0 GHADMP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423101113 849743813 /nfs/dbraw/zinc/74/38/13/849743813.db2.gz IANMKESVMHYAJB-NQQOEPQTSA-N 3 1 379.976 3.597 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)C1 ZINC000505550681 849851485 /nfs/dbraw/zinc/85/14/85/849851485.db2.gz MZVLWNQECNNKJM-RUZDIDTESA-N 2 1 391.559 3.633 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)C1 ZINC000505550681 849851496 /nfs/dbraw/zinc/85/14/96/849851496.db2.gz MZVLWNQECNNKJM-RUZDIDTESA-N 2 1 391.559 3.633 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000423343869 849862129 /nfs/dbraw/zinc/86/21/29/849862129.db2.gz WHVGOCNXNMBKJG-UOYQKJQJSA-N 2 1 393.575 3.783 20 0 GHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000423541758 849973971 /nfs/dbraw/zinc/97/39/71/849973971.db2.gz AUKGNZWIHNHDIR-LJQANCHMSA-N 2 1 381.568 3.642 20 0 GHADMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H](C)[NH3+] ZINC000423813724 850068548 /nfs/dbraw/zinc/06/85/48/850068548.db2.gz SGELMFPIXAXZIM-ACJLOTCBSA-N 2 1 386.367 3.693 20 0 GHADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423856632 850085655 /nfs/dbraw/zinc/08/56/55/850085655.db2.gz XDAKQZOSVPUZCT-QFIPXVFZSA-N 2 1 383.580 3.799 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000664373822 850145963 /nfs/dbraw/zinc/14/59/63/850145963.db2.gz QFILWYBCWMOBKJ-PXNSSMCTSA-N 2 1 395.551 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000664373822 850145981 /nfs/dbraw/zinc/14/59/81/850145981.db2.gz QFILWYBCWMOBKJ-PXNSSMCTSA-N 2 1 395.551 3.663 20 0 GHADMP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486967359 850283890 /nfs/dbraw/zinc/28/38/90/850283890.db2.gz CYCBBRBRZARTEQ-TYPHKJRUSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)CC[NH2+]CC2 ZINC000424301628 850342066 /nfs/dbraw/zinc/34/20/66/850342066.db2.gz XWNGRXAEIWKGRY-VGOFRKELSA-N 2 1 387.543 3.637 20 0 GHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)C[C@H]2C1 ZINC000424348588 850377769 /nfs/dbraw/zinc/37/77/69/850377769.db2.gz LUPBDCIMVMBNHO-KNOCVWDGSA-N 2 1 398.591 3.708 20 0 GHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000180405393 862123803 /nfs/dbraw/zinc/12/38/03/862123803.db2.gz RKWFVRUXQUMCBP-KRWDZBQOSA-N 2 1 378.582 3.926 20 0 GHADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000180405410 862124053 /nfs/dbraw/zinc/12/40/53/862124053.db2.gz RKWFVRUXQUMCBP-QGZVFWFLSA-N 2 1 378.582 3.926 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)CC[NH2+]CC2 ZINC000424370856 850410606 /nfs/dbraw/zinc/41/06/06/850410606.db2.gz CWFYKYHEFXPOFC-CYBMUJFWSA-N 2 1 380.323 3.538 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435373337 850421338 /nfs/dbraw/zinc/42/13/38/850421338.db2.gz DRPDAUIIYDCFFF-NYVOZVTQSA-N 2 1 379.504 3.507 20 0 GHADMP [NH3+]C1(CC(=O)N[C@@H](c2cccs2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637898938 850476867 /nfs/dbraw/zinc/47/68/67/850476867.db2.gz HAHSKBBSOGZLCR-OAQYLSRUSA-N 2 1 383.561 3.699 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@H]3C)CC2)CC1 ZINC000569708659 850486534 /nfs/dbraw/zinc/48/65/34/850486534.db2.gz VNMLSESVQZQVPA-YOSAUDMPSA-N 2 1 397.607 3.976 20 0 GHADMP CCn1c2ccccc2c2cc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccc21 ZINC000668741387 850493195 /nfs/dbraw/zinc/49/31/95/850493195.db2.gz RNPBHIHBIOTJMF-FQEVSTJZSA-N 2 1 377.532 3.845 20 0 GHADMP CCn1c2ccccc2c2cc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)ccc21 ZINC000668741387 850493208 /nfs/dbraw/zinc/49/32/08/850493208.db2.gz RNPBHIHBIOTJMF-FQEVSTJZSA-N 2 1 377.532 3.845 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000519015072 850494661 /nfs/dbraw/zinc/49/46/61/850494661.db2.gz FPVOFVVFUGALRJ-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000519015072 850494664 /nfs/dbraw/zinc/49/46/64/850494664.db2.gz FPVOFVVFUGALRJ-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000519015072 850494665 /nfs/dbraw/zinc/49/46/65/850494665.db2.gz FPVOFVVFUGALRJ-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1OCC[NH+](C)C ZINC000481720220 862152326 /nfs/dbraw/zinc/15/23/26/862152326.db2.gz FJEUEABXWZONKU-REWPJTCUSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720220 862152337 /nfs/dbraw/zinc/15/23/37/862152337.db2.gz FJEUEABXWZONKU-REWPJTCUSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720220 862152345 /nfs/dbraw/zinc/15/23/45/862152345.db2.gz FJEUEABXWZONKU-REWPJTCUSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720220 862152352 /nfs/dbraw/zinc/15/23/52/862152352.db2.gz FJEUEABXWZONKU-REWPJTCUSA-N 2 1 381.564 3.627 20 0 GHADMP COc1ccc(OCCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687568 850752848 /nfs/dbraw/zinc/75/28/48/850752848.db2.gz GWBGRFRGLLQRCY-IBGZPJMESA-N 2 1 387.549 3.565 20 0 GHADMP COc1ccc(OCCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687568 850752851 /nfs/dbraw/zinc/75/28/51/850752851.db2.gz GWBGRFRGLLQRCY-IBGZPJMESA-N 2 1 387.549 3.565 20 0 GHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414874494 850926019 /nfs/dbraw/zinc/92/60/19/850926019.db2.gz HYTOMFKNIBUOTE-AWEZNQCLSA-N 2 1 380.305 3.684 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487641 851097916 /nfs/dbraw/zinc/09/79/16/851097916.db2.gz KVAPLCUFEFETOM-CQSZACIVSA-N 2 1 386.487 3.763 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000514104560 851241663 /nfs/dbraw/zinc/24/16/63/851241663.db2.gz KTMIQUAOLXFYIW-KIHHCIJBSA-N 2 1 386.580 3.853 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167968349 851260771 /nfs/dbraw/zinc/26/07/71/851260771.db2.gz QCEDPCRVWVGZGA-YGFFAISXSA-N 2 1 377.573 3.771 20 0 GHADMP COC(=O)[C@@H](CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000425482475 851282992 /nfs/dbraw/zinc/28/29/92/851282992.db2.gz QTLDAMAJTWEVFW-NRFANRHFSA-N 2 1 381.520 3.746 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccsc3)cc2)CC1 ZINC000436278979 851401814 /nfs/dbraw/zinc/40/18/14/851401814.db2.gz FTJZSSXDXQBFIX-UHFFFAOYSA-N 2 1 395.576 3.566 20 0 GHADMP C[N@@H+](CCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 ZINC000436283967 851407428 /nfs/dbraw/zinc/40/74/28/851407428.db2.gz XCBVWASMJZSLJP-UHFFFAOYSA-N 2 1 397.563 3.838 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436289505 851422896 /nfs/dbraw/zinc/42/28/96/851422896.db2.gz XEHGYXIELRMKTG-XBYSBRQOSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436289505 851422905 /nfs/dbraw/zinc/42/29/05/851422905.db2.gz XEHGYXIELRMKTG-XBYSBRQOSA-N 2 1 383.580 3.668 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000550079413 851425294 /nfs/dbraw/zinc/42/52/94/851425294.db2.gz KMKQFOYNVHLWSA-KNQAVFIVSA-N 2 1 388.552 3.511 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488454033 851504995 /nfs/dbraw/zinc/50/49/95/851504995.db2.gz YQFOPWCXMHHMCD-HNNXBMFYSA-N 2 1 394.357 3.584 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167960741 851553291 /nfs/dbraw/zinc/55/32/91/851553291.db2.gz BAPALMBLUQNLJW-NXEWRWPSSA-N 2 1 389.584 3.771 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000505822737 851629641 /nfs/dbraw/zinc/62/96/41/851629641.db2.gz CDUDCKMUYCJHCA-LJQANCHMSA-N 2 1 387.499 3.574 20 0 GHADMP CCCn1ccc2cc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCC[N@H+]3CC)ccc21 ZINC000438008918 851925125 /nfs/dbraw/zinc/92/51/25/851925125.db2.gz FNUKACIGARQVLW-NRFANRHFSA-N 2 1 399.583 3.931 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000732469828 862306774 /nfs/dbraw/zinc/30/67/74/862306774.db2.gz SKFUNRIFDRMWTF-IBGZPJMESA-N 2 1 388.600 3.790 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)s2)cc1OC ZINC000425948126 852031357 /nfs/dbraw/zinc/03/13/57/852031357.db2.gz AEWKFQJOMRGMOS-GJZGRUSLSA-N 2 1 391.581 3.908 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2CC2)C1 ZINC001167981632 852043059 /nfs/dbraw/zinc/04/30/59/852043059.db2.gz CGXZXUKHTDHQMP-VTHDOGFWSA-N 2 1 389.584 3.627 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000517539921 852068945 /nfs/dbraw/zinc/06/89/45/852068945.db2.gz HVJHUGSFKITDLB-PZJWPPBQSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000517539921 852068953 /nfs/dbraw/zinc/06/89/53/852068953.db2.gz HVJHUGSFKITDLB-PZJWPPBQSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000517539921 852068961 /nfs/dbraw/zinc/06/89/61/852068961.db2.gz HVJHUGSFKITDLB-PZJWPPBQSA-N 2 1 386.584 3.776 20 0 GHADMP c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269150 852227397 /nfs/dbraw/zinc/22/73/97/852227397.db2.gz BLVBGRXYJUUOJG-JOCHJYFZSA-N 2 1 390.531 3.581 20 0 GHADMP C[C@H](Sc1ccccc1Cl)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517650776 852228179 /nfs/dbraw/zinc/22/81/79/852228179.db2.gz AUGSHOIFZKFDQG-AWEZNQCLSA-N 2 1 390.940 3.606 20 0 GHADMP CC1(C)CCC[C@H]1[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000426809769 852420631 /nfs/dbraw/zinc/42/06/31/852420631.db2.gz GBBLSNVEHDKWKS-JOCHJYFZSA-N 2 1 383.580 3.810 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000489658064 852511395 /nfs/dbraw/zinc/51/13/95/852511395.db2.gz INGRVPVGGNHNNU-UHFFFAOYSA-N 2 1 383.511 3.998 20 0 GHADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984503 852538107 /nfs/dbraw/zinc/53/81/07/852538107.db2.gz PJOFSJAKVRUQCS-BJAXAZRTSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984503 852538111 /nfs/dbraw/zinc/53/81/11/852538111.db2.gz PJOFSJAKVRUQCS-BJAXAZRTSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984503 852538116 /nfs/dbraw/zinc/53/81/16/852538116.db2.gz PJOFSJAKVRUQCS-BJAXAZRTSA-N 2 1 391.600 3.875 20 0 GHADMP O=C(c1ccc(-n2ccnc2)cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507103841 852562191 /nfs/dbraw/zinc/56/21/91/852562191.db2.gz PCUGSQBXTYEWOC-UHFFFAOYSA-N 2 1 388.515 3.653 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961484 852574638 /nfs/dbraw/zinc/57/46/38/852574638.db2.gz LYHCHJCAXHQFCF-RNINOARNSA-N 2 1 377.573 3.769 20 0 GHADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(OCc2cccnc2)c1 ZINC000516514013 852668212 /nfs/dbraw/zinc/66/82/12/852668212.db2.gz CBKOYJMRACWEME-UHFFFAOYSA-N 2 1 380.492 3.696 20 0 GHADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(OCc2cccnc2)c1 ZINC000516514013 852668220 /nfs/dbraw/zinc/66/82/20/852668220.db2.gz CBKOYJMRACWEME-UHFFFAOYSA-N 2 1 380.492 3.696 20 0 GHADMP c1c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000489987099 852708052 /nfs/dbraw/zinc/70/80/52/852708052.db2.gz GLPCTQGNELHIKR-XMMPIXPASA-N 2 1 387.531 3.569 20 0 GHADMP c1c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000489987099 852708055 /nfs/dbraw/zinc/70/80/55/852708055.db2.gz GLPCTQGNELHIKR-XMMPIXPASA-N 2 1 387.531 3.569 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000516611794 852792330 /nfs/dbraw/zinc/79/23/30/852792330.db2.gz NTLXKWUMPRGJBG-YLJYHZDGSA-N 2 1 392.975 3.508 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000507381942 852864792 /nfs/dbraw/zinc/86/47/92/852864792.db2.gz PJPXBMPOLZNQRV-JOCHJYFZSA-N 2 1 386.584 3.594 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000506382134 852927797 /nfs/dbraw/zinc/92/77/97/852927797.db2.gz PVORANLTRDIKSO-UHFFFAOYSA-N 2 1 397.357 3.915 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000506382134 852927801 /nfs/dbraw/zinc/92/78/01/852927801.db2.gz PVORANLTRDIKSO-UHFFFAOYSA-N 2 1 397.357 3.915 20 0 GHADMP CN(C)C(=O)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507469791 852942054 /nfs/dbraw/zinc/94/20/54/852942054.db2.gz LEGKUMWPOLUCDO-KEZOAJOQSA-N 2 1 391.559 3.706 20 0 GHADMP Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000518362880 853249245 /nfs/dbraw/zinc/24/92/45/853249245.db2.gz UIYYSFUAJOIATN-DQEYMECFSA-N 2 1 394.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490817651 853289296 /nfs/dbraw/zinc/28/92/96/853289296.db2.gz YGSCTASGRIVEDI-TUACAJSNSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490817651 853289304 /nfs/dbraw/zinc/28/93/04/853289304.db2.gz YGSCTASGRIVEDI-TUACAJSNSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490817651 853289310 /nfs/dbraw/zinc/28/93/10/853289310.db2.gz YGSCTASGRIVEDI-TUACAJSNSA-N 2 1 391.559 3.678 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1Cl ZINC000517057807 853295260 /nfs/dbraw/zinc/29/52/60/853295260.db2.gz UFURTJFDXUECDP-QZTJIDSGSA-N 2 1 380.960 3.739 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000440543147 853342372 /nfs/dbraw/zinc/34/23/72/853342372.db2.gz AAPVNVOGCXPJKO-PKTZIBPZSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000439191280 853393724 /nfs/dbraw/zinc/39/37/24/853393724.db2.gz MLCXHPHYQROPOD-KDURUIRLSA-N 2 1 394.629 3.579 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1=O ZINC000426303337 853395686 /nfs/dbraw/zinc/39/56/86/853395686.db2.gz MKUSBTFYHTUQIP-AKIFATBCSA-N 2 1 387.527 3.539 20 0 GHADMP C[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491000905 853397390 /nfs/dbraw/zinc/39/73/90/853397390.db2.gz XWPWMHSPWUCZCG-YKSBVNFPSA-N 2 1 381.564 3.567 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000491024743 853404051 /nfs/dbraw/zinc/40/40/51/853404051.db2.gz AYOWVDLCIZCMAI-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000491024743 853404065 /nfs/dbraw/zinc/40/40/65/853404065.db2.gz AYOWVDLCIZCMAI-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000491024743 853404074 /nfs/dbraw/zinc/40/40/74/853404074.db2.gz AYOWVDLCIZCMAI-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491054771 853428857 /nfs/dbraw/zinc/42/88/57/853428857.db2.gz DDCOYTBSVYPXFE-TZIWHRDSSA-N 2 1 394.987 3.806 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754599 853463427 /nfs/dbraw/zinc/46/34/27/853463427.db2.gz WRXNIFSDMAASRD-ZWKOTPCHSA-N 2 1 385.577 3.952 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000519757779 853468691 /nfs/dbraw/zinc/46/86/91/853468691.db2.gz BWIVAKYBVNMUPH-DBXWQHBBSA-N 2 1 382.976 3.736 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000296245712 853489860 /nfs/dbraw/zinc/48/98/60/853489860.db2.gz AZKOCERKNQXPNN-UHFFFAOYSA-N 2 1 392.609 3.623 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000437815582 853556324 /nfs/dbraw/zinc/55/63/24/853556324.db2.gz SUACDGPIWJJMHW-FQEVSTJZSA-N 2 1 390.572 3.601 20 0 GHADMP CC[C@@H](C)Oc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000437832305 853561709 /nfs/dbraw/zinc/56/17/09/853561709.db2.gz FSSAPJXALJOTMG-QUCCMNQESA-N 2 1 390.572 3.744 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1Cl ZINC000518630142 853589243 /nfs/dbraw/zinc/58/92/43/853589243.db2.gz IQVHYNYCNIYWGZ-FXAWDEMLSA-N 2 1 392.975 3.603 20 0 GHADMP OC1(c2ccc(Br)cc2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168377370 853599407 /nfs/dbraw/zinc/59/94/07/853599407.db2.gz DKRQVQVVFNQYSD-UHFFFAOYSA-N 2 1 393.369 3.607 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccnc(OCc3ccccc3)c2)no1 ZINC001212145628 853740938 /nfs/dbraw/zinc/74/09/38/853740938.db2.gz ZNSSADYOXBSKOB-IBGZPJMESA-N 2 1 395.507 3.879 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000507735289 853913048 /nfs/dbraw/zinc/91/30/48/853913048.db2.gz YTPKGOCMYCLYPM-UYAOXDASSA-N 2 1 395.538 3.771 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441183984 853988633 /nfs/dbraw/zinc/98/86/33/853988633.db2.gz UJXSUMAHDQNBBF-DNVJHFABSA-N 2 1 393.531 3.622 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441183984 853988639 /nfs/dbraw/zinc/98/86/39/853988639.db2.gz UJXSUMAHDQNBBF-DNVJHFABSA-N 2 1 393.531 3.622 20 0 GHADMP CN(C(=O)c1cccc2cc[nH]c21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000571704353 853993850 /nfs/dbraw/zinc/99/38/50/853993850.db2.gz VNEJGKGWUCBGEU-NHCUHLMSSA-N 2 1 382.552 3.577 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263657 854166226 /nfs/dbraw/zinc/16/62/26/854166226.db2.gz LKZKTJKKSWRSMC-PMVMPFDFSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263657 854166232 /nfs/dbraw/zinc/16/62/32/854166232.db2.gz LKZKTJKKSWRSMC-PMVMPFDFSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263657 854166237 /nfs/dbraw/zinc/16/62/37/854166237.db2.gz LKZKTJKKSWRSMC-PMVMPFDFSA-N 2 1 395.522 3.599 20 0 GHADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711280 854369820 /nfs/dbraw/zinc/36/98/20/854369820.db2.gz XYXKGQMLJQHYGD-KSZLIROESA-N 2 1 384.524 3.619 20 0 GHADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711280 854369827 /nfs/dbraw/zinc/36/98/27/854369827.db2.gz XYXKGQMLJQHYGD-KSZLIROESA-N 2 1 384.524 3.619 20 0 GHADMP CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473947393 854374950 /nfs/dbraw/zinc/37/49/50/854374950.db2.gz RZRHHPAHCPTTQK-AUSIDOKSSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000572119227 854400113 /nfs/dbraw/zinc/40/01/13/854400113.db2.gz POIYPVZRHXVMHX-RBBKRZOGSA-N 2 1 383.580 3.527 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)C[C@@H]1C ZINC000458897203 854478235 /nfs/dbraw/zinc/47/82/35/854478235.db2.gz OZQLUEWUMLKLNC-QRFRQXIXSA-N 2 1 392.613 3.525 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH2+]C3CCN(c4[nH+]cccc4C)CC3)CCO2)cc1 ZINC001168602219 854646998 /nfs/dbraw/zinc/64/69/98/854646998.db2.gz RPRRNSIBLCTJJU-UNMCSNQZSA-N 2 1 381.520 3.877 20 0 GHADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441431341 854652764 /nfs/dbraw/zinc/65/27/64/854652764.db2.gz BOLTZAGUNAXGLI-NVXWUHKLSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441431341 854652770 /nfs/dbraw/zinc/65/27/70/854652770.db2.gz BOLTZAGUNAXGLI-NVXWUHKLSA-N 2 1 387.351 3.541 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000572732142 854956675 /nfs/dbraw/zinc/95/66/75/854956675.db2.gz VKLZKXOWNHYIKS-QGZVFWFLSA-N 2 1 395.288 3.794 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000572732142 854956670 /nfs/dbraw/zinc/95/66/70/854956670.db2.gz VKLZKXOWNHYIKS-QGZVFWFLSA-N 2 1 395.288 3.794 20 0 GHADMP [NH3+]C1(c2noc([C@@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)CCCCC1 ZINC000572750035 854963107 /nfs/dbraw/zinc/96/31/07/854963107.db2.gz HQSWIXIFWRVCTQ-GOSISDBHSA-N 2 1 394.441 3.894 20 0 GHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000572786862 854989015 /nfs/dbraw/zinc/98/90/15/854989015.db2.gz UBIGKTSNRMXEOQ-BGWNEDDSSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000572786862 854989022 /nfs/dbraw/zinc/98/90/22/854989022.db2.gz UBIGKTSNRMXEOQ-BGWNEDDSSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000572786862 854989027 /nfs/dbraw/zinc/98/90/27/854989027.db2.gz UBIGKTSNRMXEOQ-BGWNEDDSSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000572786862 854989037 /nfs/dbraw/zinc/98/90/37/854989037.db2.gz UBIGKTSNRMXEOQ-BGWNEDDSSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000572786862 854989044 /nfs/dbraw/zinc/98/90/44/854989044.db2.gz UBIGKTSNRMXEOQ-BGWNEDDSSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCc1cccs1 ZINC000249746975 855073488 /nfs/dbraw/zinc/07/34/88/855073488.db2.gz CZSGKDVCMLCOCA-QZTJIDSGSA-N 2 1 385.577 3.775 20 0 GHADMP CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1Nc1ccc[nH+]c1N ZINC001212404107 855076451 /nfs/dbraw/zinc/07/64/51/855076451.db2.gz LZCZQDZEZJRFHQ-UHFFFAOYSA-N 2 1 386.496 3.695 20 0 GHADMP CNC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000482064676 862666290 /nfs/dbraw/zinc/66/62/90/862666290.db2.gz BSXMPRYHZLDWEY-BXXSPATCSA-N 2 1 377.532 3.649 20 0 GHADMP CNC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000482064676 862666299 /nfs/dbraw/zinc/66/62/99/862666299.db2.gz BSXMPRYHZLDWEY-BXXSPATCSA-N 2 1 377.532 3.649 20 0 GHADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647986626 855418187 /nfs/dbraw/zinc/41/81/87/855418187.db2.gz URVFQBCYOGQLPK-QTEQDKRBSA-N 2 1 393.531 3.697 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000056524430 855563060 /nfs/dbraw/zinc/56/30/60/855563060.db2.gz PSWPIKLNJISPLX-UHFFFAOYSA-N 2 1 382.430 3.919 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000590787204 855585630 /nfs/dbraw/zinc/58/56/30/855585630.db2.gz UTKPYIDBCVGYSF-LJQANCHMSA-N 2 1 385.596 3.795 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000591078879 855750278 /nfs/dbraw/zinc/75/02/78/855750278.db2.gz SWSKGZUSKXIZQG-NRFANRHFSA-N 2 1 383.561 3.867 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000591078879 855750287 /nfs/dbraw/zinc/75/02/87/855750287.db2.gz SWSKGZUSKXIZQG-NRFANRHFSA-N 2 1 383.561 3.867 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CCCCC1 ZINC000669401828 855869646 /nfs/dbraw/zinc/86/96/46/855869646.db2.gz MSNMRONTLAZOHQ-ACIOBRDBSA-N 2 1 398.595 3.720 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc4[nH]c(=O)oc43)CC2)cs1 ZINC000921726545 856079355 /nfs/dbraw/zinc/07/93/55/856079355.db2.gz ZECNXJITLYVMCH-UHFFFAOYSA-N 2 1 386.521 3.554 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000482143883 862759948 /nfs/dbraw/zinc/75/99/48/862759948.db2.gz PJTFAONNSJQKAN-AOIWGVFYSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000507811156 856269165 /nfs/dbraw/zinc/26/91/65/856269165.db2.gz JBAZOTRLPCZOLO-DVECYGJZSA-N 2 1 381.539 3.951 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000507811156 856269172 /nfs/dbraw/zinc/26/91/72/856269172.db2.gz JBAZOTRLPCZOLO-DVECYGJZSA-N 2 1 381.539 3.951 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCc4cc(OC)ccc43)CC2)CC1 ZINC000573577771 856298343 /nfs/dbraw/zinc/29/83/43/856298343.db2.gz VSSDNIBVSQYMGD-UHFFFAOYSA-N 2 1 399.579 3.561 20 0 GHADMP C[C@@H](C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000785452725 856300644 /nfs/dbraw/zinc/30/06/44/856300644.db2.gz XPLXRXSCIHMVLW-SFHVURJKSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+]1C ZINC000172614928 856301113 /nfs/dbraw/zinc/30/11/13/856301113.db2.gz BRKONZQZODHJOW-CVDCTZTESA-N 2 1 379.548 3.873 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000172614928 856301119 /nfs/dbraw/zinc/30/11/19/856301119.db2.gz BRKONZQZODHJOW-CVDCTZTESA-N 2 1 379.548 3.873 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000172614928 856301134 /nfs/dbraw/zinc/30/11/34/856301134.db2.gz BRKONZQZODHJOW-CVDCTZTESA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H](C)[NH3+] ZINC000573603493 856310718 /nfs/dbraw/zinc/31/07/18/856310718.db2.gz BJLVXGFPICHWPU-ACJLOTCBSA-N 2 1 386.367 3.693 20 0 GHADMP Nc1ccnc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000520752046 856341946 /nfs/dbraw/zinc/34/19/46/856341946.db2.gz TVGBDQAGMRROPO-NRFANRHFSA-N 2 1 379.552 3.546 20 0 GHADMP COc1ccc([C@@H]2C[C@H](N(c3[nH+]cccc3C)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168671139 856434019 /nfs/dbraw/zinc/43/40/19/856434019.db2.gz FGKTZXGQXJFNFT-IRLDBZIGSA-N 2 1 381.520 3.877 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485405324 856464344 /nfs/dbraw/zinc/46/43/44/856464344.db2.gz QLXGMOIFZASBEI-RCZSKKKRSA-N 2 1 395.522 3.821 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485405324 856464348 /nfs/dbraw/zinc/46/43/48/856464348.db2.gz QLXGMOIFZASBEI-RCZSKKKRSA-N 2 1 395.522 3.821 20 0 GHADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605135267 862799763 /nfs/dbraw/zinc/79/97/63/862799763.db2.gz PNYADBYRNYMVJY-LPHOPBHVSA-N 2 1 385.474 3.546 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Br)s3)CC2)C[C@@H](C)O1 ZINC000110436827 856548562 /nfs/dbraw/zinc/54/85/62/856548562.db2.gz SYOMKYHIFSTOQI-ZIAGYGMSSA-N 2 1 387.387 3.832 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CCCc3ccc4c(c3)CCO4)c2)CCO1 ZINC000482233609 862833140 /nfs/dbraw/zinc/83/31/40/862833140.db2.gz HECZRZINFMAQHY-IBGZPJMESA-N 2 1 380.532 3.565 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCCc3ccc4c(c3)CCO4)c2)CCO1 ZINC000482233609 862833156 /nfs/dbraw/zinc/83/31/56/862833156.db2.gz HECZRZINFMAQHY-IBGZPJMESA-N 2 1 380.532 3.565 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000465886694 856768109 /nfs/dbraw/zinc/76/81/09/856768109.db2.gz GCVFSWSSUXXQQK-FCHUYYIVSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccnc2OC(C)C)CC1 ZINC000674879769 856882040 /nfs/dbraw/zinc/88/20/40/856882040.db2.gz ZBVYZWRNAOFNQW-UHFFFAOYSA-N 2 1 382.552 3.691 20 0 GHADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000625737975 856913985 /nfs/dbraw/zinc/91/39/85/856913985.db2.gz HCBACENMUCLLKV-KMDXXIMOSA-N 2 1 395.591 3.622 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)C3CCCCC3)CC2)CC1 ZINC000569116729 856930709 /nfs/dbraw/zinc/93/07/09/856930709.db2.gz HMKKHOQGFZTLTL-UHFFFAOYSA-N 2 1 377.617 3.905 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000485707656 856959122 /nfs/dbraw/zinc/95/91/22/856959122.db2.gz LNBKVZADFURIBN-IBGZPJMESA-N 2 1 399.501 3.953 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000482250798 862856286 /nfs/dbraw/zinc/85/62/86/862856286.db2.gz UYMISOHBDSDJBN-ZWKOTPCHSA-N 2 1 379.614 3.681 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ccc(-c2nccs2)n1 ZINC000766089786 856992210 /nfs/dbraw/zinc/99/22/10/856992210.db2.gz VLOHISRCZMFSAI-UHFFFAOYSA-N 2 1 382.537 3.598 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(c3nc(C)no3)CC2)cc1 ZINC000665255541 857095352 /nfs/dbraw/zinc/09/53/52/857095352.db2.gz VUXDMLDJLKCUKP-RQWVFBBXSA-N 2 1 384.524 3.538 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccco1 ZINC000056764425 857107538 /nfs/dbraw/zinc/10/75/38/857107538.db2.gz QZCITIMUOOSSMF-HXUWFJFHSA-N 2 1 384.524 3.732 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465945724 857183350 /nfs/dbraw/zinc/18/33/50/857183350.db2.gz AQPNWNUKDCGWKG-NLWGTHIKSA-N 2 1 392.613 3.695 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465945724 857183360 /nfs/dbraw/zinc/18/33/60/857183360.db2.gz AQPNWNUKDCGWKG-NLWGTHIKSA-N 2 1 392.613 3.695 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465945724 857183365 /nfs/dbraw/zinc/18/33/65/857183365.db2.gz AQPNWNUKDCGWKG-NLWGTHIKSA-N 2 1 392.613 3.695 20 0 GHADMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246150729 857255136 /nfs/dbraw/zinc/25/51/36/857255136.db2.gz FVKVTZPVVUCJGD-NZQKXSOJSA-N 2 1 380.532 3.511 20 0 GHADMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246150729 857255146 /nfs/dbraw/zinc/25/51/46/857255146.db2.gz FVKVTZPVVUCJGD-NZQKXSOJSA-N 2 1 380.532 3.511 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000058437030 857303496 /nfs/dbraw/zinc/30/34/96/857303496.db2.gz CUOSQWQKCVEEAA-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC000144234048 857417099 /nfs/dbraw/zinc/41/70/99/857417099.db2.gz SMOYHHKUQRWDED-UHFFFAOYSA-N 2 1 384.455 3.685 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000520955021 857435762 /nfs/dbraw/zinc/43/57/62/857435762.db2.gz BDUOBVMODNESKM-HSZRJFAPSA-N 2 1 379.548 3.982 20 0 GHADMP CC(C)[NH+](CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000060955234 857489864 /nfs/dbraw/zinc/48/98/64/857489864.db2.gz ORERAUHBATZDBG-HXUWFJFHSA-N 2 1 388.600 3.837 20 0 GHADMP CC(C)[NH+](CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(C)C ZINC000060955231 857490042 /nfs/dbraw/zinc/49/00/42/857490042.db2.gz WZXOBPKREAPCIB-HXUWFJFHSA-N 2 1 388.600 3.979 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000486233003 857574446 /nfs/dbraw/zinc/57/44/46/857574446.db2.gz UWJLKMFAUYIVHN-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000675776758 857606673 /nfs/dbraw/zinc/60/66/73/857606673.db2.gz YWAQLQXXYSZRTP-KNKQGSTJSA-N 2 1 394.003 3.893 20 0 GHADMP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000312041824 857661425 /nfs/dbraw/zinc/66/14/25/857661425.db2.gz RTUSBNYYANSVKV-BETUJISGSA-N 2 1 388.147 3.643 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000521182273 857719872 /nfs/dbraw/zinc/71/98/72/857719872.db2.gz PXQVWTHGDFSBNX-FQEVSTJZSA-N 2 1 383.511 3.633 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000466025126 857880087 /nfs/dbraw/zinc/88/00/87/857880087.db2.gz GFEKUJACAZTITJ-FPOVZHCZSA-N 2 1 388.600 3.659 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000594107517 857904243 /nfs/dbraw/zinc/90/42/43/857904243.db2.gz IYNOUAHRGJLLTQ-GUDVDZBRSA-N 2 1 392.613 3.522 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000605339790 862967484 /nfs/dbraw/zinc/96/74/84/862967484.db2.gz NVLZMFSMVJHJIF-RTBURBONSA-N 2 1 390.572 3.792 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000521461477 858004303 /nfs/dbraw/zinc/00/43/03/858004303.db2.gz ORLPALNOCDZFDI-AZUAARDMSA-N 2 1 377.598 3.587 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000486708507 858012841 /nfs/dbraw/zinc/01/28/41/858012841.db2.gz JZPCPSAMUFXBBF-ISKFKSNPSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccsc1 ZINC000067708892 858061002 /nfs/dbraw/zinc/06/10/02/858061002.db2.gz OSGYBXACEGGNQW-PXNSSMCTSA-N 2 1 389.540 3.518 20 0 GHADMP CSC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000442868915 858186017 /nfs/dbraw/zinc/18/60/17/858186017.db2.gz ADLKRNVEXQHMKE-KRWDZBQOSA-N 2 1 389.531 3.725 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442869108 858186033 /nfs/dbraw/zinc/18/60/33/858186033.db2.gz IBCCYKXGOOWVIZ-QHCPKHFHSA-N 2 1 399.554 3.734 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000442880644 858202407 /nfs/dbraw/zinc/20/24/07/858202407.db2.gz ZFGGHLJBSDSHJX-OALUTQOASA-N 2 1 383.502 3.957 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)c1 ZINC000594644276 858238274 /nfs/dbraw/zinc/23/82/74/858238274.db2.gz CGXWCPBPMAMRMC-QHCPKHFHSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000594644276 858238284 /nfs/dbraw/zinc/23/82/84/858238284.db2.gz CGXWCPBPMAMRMC-QHCPKHFHSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000594644276 858238289 /nfs/dbraw/zinc/23/82/89/858238289.db2.gz CGXWCPBPMAMRMC-QHCPKHFHSA-N 2 1 377.532 3.533 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000442919021 858243216 /nfs/dbraw/zinc/24/32/16/858243216.db2.gz DPENUXWFNSLTCT-HNNXBMFYSA-N 2 1 376.501 3.528 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000442919021 858243225 /nfs/dbraw/zinc/24/32/25/858243225.db2.gz DPENUXWFNSLTCT-HNNXBMFYSA-N 2 1 376.501 3.528 20 0 GHADMP COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000543093222 858312524 /nfs/dbraw/zinc/31/25/24/858312524.db2.gz YSVUDNRSHMEFBF-UGKGYDQZSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000543093222 858312528 /nfs/dbraw/zinc/31/25/28/858312528.db2.gz YSVUDNRSHMEFBF-UGKGYDQZSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000543093222 858312532 /nfs/dbraw/zinc/31/25/32/858312532.db2.gz YSVUDNRSHMEFBF-UGKGYDQZSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000543093222 858312535 /nfs/dbraw/zinc/31/25/35/858312535.db2.gz YSVUDNRSHMEFBF-UGKGYDQZSA-N 2 1 396.531 3.723 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000574869048 858400808 /nfs/dbraw/zinc/40/08/08/858400808.db2.gz KZEXXPCRDJVJAB-VQTJNVASSA-N 2 1 388.577 3.552 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000574869048 858400809 /nfs/dbraw/zinc/40/08/09/858400809.db2.gz KZEXXPCRDJVJAB-VQTJNVASSA-N 2 1 388.577 3.552 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000521958547 858486126 /nfs/dbraw/zinc/48/61/26/858486126.db2.gz MXLGKYAYKVPCLD-RBUKOAKNSA-N 2 1 390.572 3.649 20 0 GHADMP FC(F)(F)c1cccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166235198 858620123 /nfs/dbraw/zinc/62/01/23/858620123.db2.gz PIRXRYXEOVXFHS-VQTJNVASSA-N 2 1 381.486 3.886 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000474060921 858740443 /nfs/dbraw/zinc/74/04/43/858740443.db2.gz SHFJCLFYKRIGSU-WXFUMESZSA-N 2 1 385.596 3.509 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474064100 858749232 /nfs/dbraw/zinc/74/92/32/858749232.db2.gz XZPGCLIRXRKNNX-WXFUMESZSA-N 2 1 385.596 3.509 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)Nc2ccccc2)cc1 ZINC000183679728 858794920 /nfs/dbraw/zinc/79/49/20/858794920.db2.gz APDGNJJMIQETLC-HZPDHXFCSA-N 2 1 391.475 3.568 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccco1 ZINC000509616924 858812365 /nfs/dbraw/zinc/81/23/65/858812365.db2.gz YAOLFFJGUNHAPG-UYWIDEMCSA-N 2 1 398.551 3.671 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C3(CCC3)[C@@H]2c2cccnc2)CC1 ZINC000840001061 858939674 /nfs/dbraw/zinc/93/96/74/858939674.db2.gz WPMAWUXLIWCGRE-NRFANRHFSA-N 2 1 384.568 3.537 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C3(CCC3)[C@@H]2c2cccnc2)CC1 ZINC000840001061 858939682 /nfs/dbraw/zinc/93/96/82/858939682.db2.gz WPMAWUXLIWCGRE-NRFANRHFSA-N 2 1 384.568 3.537 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000482894343 858956873 /nfs/dbraw/zinc/95/68/73/858956873.db2.gz RBYWVCCQSPXZMP-DYXWJJEUSA-N 2 1 378.532 3.687 20 0 GHADMP C[C@H]1CCC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000443578173 858972882 /nfs/dbraw/zinc/97/28/82/858972882.db2.gz QDAQWLYXAXAFMZ-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP CCCN(C(=O)NCCCn1cc[nH+]c1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000522327578 859056368 /nfs/dbraw/zinc/05/63/68/859056368.db2.gz NAFXUIIZLHKECO-JOCHJYFZSA-N 2 1 397.567 3.668 20 0 GHADMP CCCN(C(=O)NCCCn1cc[nH+]c1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000522327578 859056377 /nfs/dbraw/zinc/05/63/77/859056377.db2.gz NAFXUIIZLHKECO-JOCHJYFZSA-N 2 1 397.567 3.668 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000668189550 859061363 /nfs/dbraw/zinc/06/13/63/859061363.db2.gz HQKPUVRSQYUJDJ-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000668189550 859061372 /nfs/dbraw/zinc/06/13/72/859061372.db2.gz HQKPUVRSQYUJDJ-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552644 881377403 /nfs/dbraw/zinc/37/74/03/881377403.db2.gz ODNMPBGIPBVONA-JPYJTQIMSA-N 2 1 383.536 3.799 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552644 881377421 /nfs/dbraw/zinc/37/74/21/881377421.db2.gz ODNMPBGIPBVONA-JPYJTQIMSA-N 2 1 383.536 3.799 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552644 881377440 /nfs/dbraw/zinc/37/74/40/881377440.db2.gz ODNMPBGIPBVONA-JPYJTQIMSA-N 2 1 383.536 3.799 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4c(s3)CCCC4)C2)ccn1 ZINC000856552857 881380531 /nfs/dbraw/zinc/38/05/31/881380531.db2.gz QIRPKZUJYGFVLR-GOSISDBHSA-N 2 1 386.565 3.522 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4c(s3)CCCC4)C2)ccn1 ZINC000856552857 881380552 /nfs/dbraw/zinc/38/05/52/881380552.db2.gz QIRPKZUJYGFVLR-GOSISDBHSA-N 2 1 386.565 3.522 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc4c(s3)CCCC4)C2)ccn1 ZINC000856552857 881380567 /nfs/dbraw/zinc/38/05/67/881380567.db2.gz QIRPKZUJYGFVLR-GOSISDBHSA-N 2 1 386.565 3.522 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc4c(s3)CCCC4)C2)ccn1 ZINC000856552857 881380587 /nfs/dbraw/zinc/38/05/87/881380587.db2.gz QIRPKZUJYGFVLR-GOSISDBHSA-N 2 1 386.565 3.522 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707565 859119359 /nfs/dbraw/zinc/11/93/59/859119359.db2.gz IIGDOBZWWHZCPT-LSDHHAIUSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707565 859119363 /nfs/dbraw/zinc/11/93/63/859119363.db2.gz IIGDOBZWWHZCPT-LSDHHAIUSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738190 859123688 /nfs/dbraw/zinc/12/36/88/859123688.db2.gz WGXDEZLZLDBSLE-CTNGQTDRSA-N 2 1 396.583 3.753 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185748285 859125228 /nfs/dbraw/zinc/12/52/28/859125228.db2.gz UAAUQJOHJBUFJI-IKGGRYGDSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185748285 859125233 /nfs/dbraw/zinc/12/52/33/859125233.db2.gz UAAUQJOHJBUFJI-IKGGRYGDSA-N 2 1 375.582 3.978 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193584710 859175077 /nfs/dbraw/zinc/17/50/77/859175077.db2.gz ZPCOXOBSMFXOBC-HXUWFJFHSA-N 2 1 383.561 3.797 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000483155392 859186396 /nfs/dbraw/zinc/18/63/96/859186396.db2.gz LTOYGSGKVWJQQA-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000483155392 859186400 /nfs/dbraw/zinc/18/64/00/859186400.db2.gz LTOYGSGKVWJQQA-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000483155392 859186407 /nfs/dbraw/zinc/18/64/07/859186407.db2.gz LTOYGSGKVWJQQA-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(OC)cc3Cl)C2)ccn1 ZINC000856555079 881396194 /nfs/dbraw/zinc/39/61/94/881396194.db2.gz MSEHYZLYGWPDKG-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(OC)cc3Cl)C2)ccn1 ZINC000856555079 881396239 /nfs/dbraw/zinc/39/62/39/881396239.db2.gz MSEHYZLYGWPDKG-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(OC)cc3Cl)C2)ccn1 ZINC000856555079 881396285 /nfs/dbraw/zinc/39/62/85/881396285.db2.gz MSEHYZLYGWPDKG-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000483192242 859216824 /nfs/dbraw/zinc/21/68/24/859216824.db2.gz GTIBHXNYJQVBNA-LPHOPBHVSA-N 2 1 383.374 3.718 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(OC)cc3Cl)C2)ccn1 ZINC000856555079 881396305 /nfs/dbraw/zinc/39/63/05/881396305.db2.gz MSEHYZLYGWPDKG-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000626017048 859347495 /nfs/dbraw/zinc/34/74/95/859347495.db2.gz UXWXBPLYNIOKPX-GMHONNGPSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000626017048 859347500 /nfs/dbraw/zinc/34/75/00/859347500.db2.gz UXWXBPLYNIOKPX-GMHONNGPSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000626017048 859347511 /nfs/dbraw/zinc/34/75/11/859347511.db2.gz UXWXBPLYNIOKPX-GMHONNGPSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+]1CCCCC1 ZINC000764357364 859402757 /nfs/dbraw/zinc/40/27/57/859402757.db2.gz UFHCGAOPWGUKAM-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000543372145 859441300 /nfs/dbraw/zinc/44/13/00/859441300.db2.gz YZACMIXHCKQBGP-NHCUHLMSSA-N 2 1 398.595 3.970 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)OCCO2 ZINC000895448231 859491115 /nfs/dbraw/zinc/49/11/15/859491115.db2.gz ABHUFJIPBPFRCV-HBMCJLEFSA-N 2 1 388.527 3.512 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000114197042 859492131 /nfs/dbraw/zinc/49/21/31/859492131.db2.gz GRGXOUXSMZELFD-KRWDZBQOSA-N 2 1 397.571 3.702 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000114197042 859492135 /nfs/dbraw/zinc/49/21/35/859492135.db2.gz GRGXOUXSMZELFD-KRWDZBQOSA-N 2 1 397.571 3.702 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000483725694 859562020 /nfs/dbraw/zinc/56/20/20/859562020.db2.gz NKRDVNNNNCMCOF-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000895479382 859565229 /nfs/dbraw/zinc/56/52/29/859565229.db2.gz PFXYLJWKYIIALB-XMTFNYHQSA-N 2 1 390.490 3.608 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(C)C ZINC000764776972 859607602 /nfs/dbraw/zinc/60/76/02/859607602.db2.gz ROFUFDJNSWBBBY-JBACZVJFSA-N 2 1 375.557 3.647 20 0 GHADMP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114480572 859626482 /nfs/dbraw/zinc/62/64/82/859626482.db2.gz JKSOMWDNOVYKGL-NRFANRHFSA-N 2 1 379.976 3.958 20 0 GHADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114480572 859626489 /nfs/dbraw/zinc/62/64/89/859626489.db2.gz JKSOMWDNOVYKGL-NRFANRHFSA-N 2 1 379.976 3.958 20 0 GHADMP CCC[N@H+](CC(=O)Nc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477329 859626917 /nfs/dbraw/zinc/62/69/17/859626917.db2.gz GRLSQFKIDOYWNY-UHFFFAOYSA-N 2 1 399.514 3.552 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477329 859626921 /nfs/dbraw/zinc/62/69/21/859626921.db2.gz GRLSQFKIDOYWNY-UHFFFAOYSA-N 2 1 399.514 3.552 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)CC1 ZINC000611269093 859674945 /nfs/dbraw/zinc/67/49/45/859674945.db2.gz PAXLQJJKRQRTSO-HSZRJFAPSA-N 2 1 397.538 3.617 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764925021 859683938 /nfs/dbraw/zinc/68/39/38/859683938.db2.gz AMEAFMSPFUGTEB-PXDATVDWSA-N 2 1 395.591 3.906 20 0 GHADMP CCN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474304660 859811686 /nfs/dbraw/zinc/81/16/86/859811686.db2.gz MWYWDLGIGXWHOG-NTKDMRAZSA-N 2 1 391.559 3.672 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCCCC1(C)C ZINC000466523489 859840614 /nfs/dbraw/zinc/84/06/14/859840614.db2.gz XTRGXFMHUKWWJM-OAQYLSRUSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000922387756 859866716 /nfs/dbraw/zinc/86/67/16/859866716.db2.gz MUKXJQOSDMMCDW-BNDYYXHWSA-N 2 1 389.540 3.519 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccnc(Cl)c3s1)C2 ZINC000922389121 859871204 /nfs/dbraw/zinc/87/12/04/859871204.db2.gz HLTKKCJNEZUXQS-FXRXJOCMSA-N 2 1 379.957 3.519 20 0 GHADMP Cc1ccncc1CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856561966 881472012 /nfs/dbraw/zinc/47/20/12/881472012.db2.gz ZNMITTNZPYMLSE-HSZRJFAPSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccncc1CCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561966 881472018 /nfs/dbraw/zinc/47/20/18/881472018.db2.gz ZNMITTNZPYMLSE-HSZRJFAPSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561966 881472022 /nfs/dbraw/zinc/47/20/22/881472022.db2.gz ZNMITTNZPYMLSE-HSZRJFAPSA-N 2 1 382.552 3.711 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765432465 859967888 /nfs/dbraw/zinc/96/78/88/859967888.db2.gz VABBCYHIYPEJOZ-LLGFUMIMSA-N 2 1 393.597 3.752 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034096 859995414 /nfs/dbraw/zinc/99/54/14/859995414.db2.gz OOUWWKMMNIFKLK-WNXIRNOKSA-N 2 1 391.559 3.932 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484510468 860060860 /nfs/dbraw/zinc/06/08/60/860060860.db2.gz XVIFTXVTNHWSQL-BVSLBCMMSA-N 2 1 379.548 3.774 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484510468 860060867 /nfs/dbraw/zinc/06/08/67/860060867.db2.gz XVIFTXVTNHWSQL-BVSLBCMMSA-N 2 1 379.548 3.774 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000484510469 860061230 /nfs/dbraw/zinc/06/12/30/860061230.db2.gz XVIFTXVTNHWSQL-HJNYFJLDSA-N 2 1 379.548 3.774 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000484510469 860061241 /nfs/dbraw/zinc/06/12/41/860061241.db2.gz XVIFTXVTNHWSQL-HJNYFJLDSA-N 2 1 379.548 3.774 20 0 GHADMP CSCCc1ccccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602586678 860127138 /nfs/dbraw/zinc/12/71/38/860127138.db2.gz MHWCAHNEFKNJDP-UHFFFAOYSA-N 2 1 397.588 3.914 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(I)cc2)CC1 ZINC000474468186 860149747 /nfs/dbraw/zinc/14/97/47/860149747.db2.gz JRVSSOKOBJCELC-CQSZACIVSA-N 2 1 386.321 3.686 20 0 GHADMP COC(=O)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001168036275 860244072 /nfs/dbraw/zinc/24/40/72/860244072.db2.gz VNFMUHHBRLBZSP-IYRWYFENSA-N 2 1 380.532 3.974 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H]1c1cccs1 ZINC000536049430 860267664 /nfs/dbraw/zinc/26/76/64/860267664.db2.gz GZFNGLMFQVTTOR-BSIFCXSSSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H]1c1cccs1 ZINC000536049430 860267675 /nfs/dbraw/zinc/26/76/75/860267675.db2.gz GZFNGLMFQVTTOR-BSIFCXSSSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000536049430 860267686 /nfs/dbraw/zinc/26/76/86/860267686.db2.gz GZFNGLMFQVTTOR-BSIFCXSSSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000536049430 860267692 /nfs/dbraw/zinc/26/76/92/860267692.db2.gz GZFNGLMFQVTTOR-BSIFCXSSSA-N 2 1 398.576 3.617 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1)C1CC1 ZINC000508966404 860314880 /nfs/dbraw/zinc/31/48/80/860314880.db2.gz XUBPMCKQGKDQMN-UHFFFAOYSA-N 2 1 381.520 3.864 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000765608118 860323541 /nfs/dbraw/zinc/32/35/41/860323541.db2.gz USOHQSAHGMDYMF-YLJYHZDGSA-N 2 1 375.557 3.574 20 0 GHADMP CCOC(=O)c1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000602841907 860323637 /nfs/dbraw/zinc/32/36/37/860323637.db2.gz UDEZVQIXKNKGQT-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP CCOC(=O)c1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000602841907 860323646 /nfs/dbraw/zinc/32/36/46/860323646.db2.gz UDEZVQIXKNKGQT-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000029654876 860445884 /nfs/dbraw/zinc/44/58/84/860445884.db2.gz ILYJOOCUJQRVPK-HXUWFJFHSA-N 2 1 395.576 3.525 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(OC)c3Cl)C2)ccn1 ZINC000856583329 881541626 /nfs/dbraw/zinc/54/16/26/881541626.db2.gz FHTVNXRZDKPVCL-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(OC)c3Cl)C2)ccn1 ZINC000856583329 881541871 /nfs/dbraw/zinc/54/18/71/881541871.db2.gz FHTVNXRZDKPVCL-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(OC)c3Cl)C2)ccn1 ZINC000856583329 881542009 /nfs/dbraw/zinc/54/20/09/881542009.db2.gz FHTVNXRZDKPVCL-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)n2c1CCCC2 ZINC000598631412 860460975 /nfs/dbraw/zinc/46/09/75/860460975.db2.gz TWBWGFFGIAQHHT-UHFFFAOYSA-N 2 1 396.466 3.534 20 0 GHADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)n2c1CCCC2 ZINC000598636470 860464520 /nfs/dbraw/zinc/46/45/20/860464520.db2.gz FMCANHVNBONGOG-GOSISDBHSA-N 2 1 395.547 3.926 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1nc2c(s1)CCCC2)C1CC[NH+](C)CC1 ZINC000922700463 860489663 /nfs/dbraw/zinc/48/96/63/860489663.db2.gz MXCPYVOQEVRRSM-UHFFFAOYSA-N 2 1 384.593 3.842 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CCCC3)c2)CCO1 ZINC000921589629 860538226 /nfs/dbraw/zinc/53/82/26/860538226.db2.gz GHYRHPZLOJDKRZ-SFHVURJKSA-N 2 1 382.552 3.588 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CCCC3)c2)CCO1 ZINC000921589629 860538232 /nfs/dbraw/zinc/53/82/32/860538232.db2.gz GHYRHPZLOJDKRZ-SFHVURJKSA-N 2 1 382.552 3.588 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000489824427 860762580 /nfs/dbraw/zinc/76/25/80/860762580.db2.gz DELZFUGNQLHTQU-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000667853323 860856277 /nfs/dbraw/zinc/85/62/77/860856277.db2.gz IATXTJCFIMNEKA-KRWDZBQOSA-N 2 1 378.520 3.986 20 0 GHADMP Cn1c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2sc1=O ZINC000192565496 860877380 /nfs/dbraw/zinc/87/73/80/860877380.db2.gz CGHSBQJDSMQYCC-IHWFROFDSA-N 2 1 393.556 3.885 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000482857242 861030446 /nfs/dbraw/zinc/03/04/46/861030446.db2.gz LTTICAMGBNFRAA-QHCPKHFHSA-N 2 1 385.596 3.710 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000158584972 863086653 /nfs/dbraw/zinc/08/66/53/863086653.db2.gz CMHBTXRGZRXHQG-YVWKXTFCSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000158584972 863086669 /nfs/dbraw/zinc/08/66/69/863086669.db2.gz CMHBTXRGZRXHQG-YVWKXTFCSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000158584972 863086685 /nfs/dbraw/zinc/08/66/85/863086685.db2.gz CMHBTXRGZRXHQG-YVWKXTFCSA-N 2 1 382.470 3.558 20 0 GHADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000443990793 863113563 /nfs/dbraw/zinc/11/35/63/863113563.db2.gz RVWMALSFQCVBBE-GOSISDBHSA-N 2 1 392.465 3.509 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000182257916 863166589 /nfs/dbraw/zinc/16/65/89/863166589.db2.gz ZWHCXPZZTSYHKU-LADGPHEKSA-N 2 1 392.543 3.745 20 0 GHADMP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182269050 863170026 /nfs/dbraw/zinc/17/00/26/863170026.db2.gz YAHADEGRSFLVOB-JTHBVZDNSA-N 2 1 380.532 3.874 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716178757 863269584 /nfs/dbraw/zinc/26/95/84/863269584.db2.gz PLCRHJNPQGFWDD-NRFANRHFSA-N 2 1 387.568 3.886 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000182905224 863399853 /nfs/dbraw/zinc/39/98/53/863399853.db2.gz XKCTXJKRUSZXBP-NFBKMPQASA-N 2 1 395.522 3.690 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(CC)nn(C)c3CC)CC2)cs1 ZINC000162219928 863399902 /nfs/dbraw/zinc/39/99/02/863399902.db2.gz AWTCDDDVYXSBIM-UHFFFAOYSA-N 2 1 389.613 3.566 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003508 881659274 /nfs/dbraw/zinc/65/92/74/881659274.db2.gz IINSOLASMJCZAX-ZWKOTPCHSA-N 2 1 382.552 3.827 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003508 881659282 /nfs/dbraw/zinc/65/92/82/881659282.db2.gz IINSOLASMJCZAX-ZWKOTPCHSA-N 2 1 382.552 3.827 20 0 GHADMP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183151760 863488911 /nfs/dbraw/zinc/48/89/11/863488911.db2.gz GMXWNCXPQKZQLF-JKSUJKDBSA-N 2 1 378.476 3.867 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000183158014 863491856 /nfs/dbraw/zinc/49/18/56/863491856.db2.gz CEBUSTSFSOJZMU-CVEARBPZSA-N 2 1 394.544 3.866 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120562410 881669946 /nfs/dbraw/zinc/66/99/46/881669946.db2.gz VLXQBAUSTGVOIY-BBWFWOEESA-N 2 1 377.960 3.682 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000606688563 863779939 /nfs/dbraw/zinc/77/99/39/863779939.db2.gz VQARXNQGGOTVMD-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667607978 863897605 /nfs/dbraw/zinc/89/76/05/863897605.db2.gz VIOGCNSBGUCTSB-UHFFFAOYSA-N 2 1 398.536 3.607 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000667607978 863897622 /nfs/dbraw/zinc/89/76/22/863897622.db2.gz VIOGCNSBGUCTSB-UHFFFAOYSA-N 2 1 398.536 3.607 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH+]4C)sc2c1)C1CC1 ZINC000667609775 863956253 /nfs/dbraw/zinc/95/62/53/863956253.db2.gz PFYXNEUGLHUPKZ-SJORKVTESA-N 2 1 399.564 3.591 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2c1)C1CC1 ZINC000667609775 863956264 /nfs/dbraw/zinc/95/62/64/863956264.db2.gz PFYXNEUGLHUPKZ-SJORKVTESA-N 2 1 399.564 3.591 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)sc2c1)C1CC1 ZINC000667609775 863956282 /nfs/dbraw/zinc/95/62/82/863956282.db2.gz PFYXNEUGLHUPKZ-SJORKVTESA-N 2 1 399.564 3.591 20 0 GHADMP CCC[N@H+](Cc1c(C)cc(C)nc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000554241656 863985236 /nfs/dbraw/zinc/98/52/36/863985236.db2.gz PBUICMYBBPCDCB-UHFFFAOYSA-N 2 1 397.567 3.995 20 0 GHADMP CCC[N@@H+](Cc1c(C)cc(C)nc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000554241656 863985246 /nfs/dbraw/zinc/98/52/46/863985246.db2.gz PBUICMYBBPCDCB-UHFFFAOYSA-N 2 1 397.567 3.995 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000159055067 864018913 /nfs/dbraw/zinc/01/89/13/864018913.db2.gz WEPSJKQPEXBXIH-LJQANCHMSA-N 2 1 384.568 3.949 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000159070977 864022862 /nfs/dbraw/zinc/02/28/62/864022862.db2.gz PXVPJYIEQRHSAF-GOSISDBHSA-N 2 1 385.321 3.666 20 0 GHADMP CC(=O)NCC1CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898517363 864074832 /nfs/dbraw/zinc/07/48/32/864074832.db2.gz NGXJBXRKUGFXFN-PMMPTJNNSA-N 2 1 383.580 3.572 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)C[C@@H]3C2)cc1 ZINC000898517576 864074924 /nfs/dbraw/zinc/07/49/24/864074924.db2.gz QMGMJIZFFTWWTJ-GSPCLOLRSA-N 2 1 384.564 3.605 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000607171637 864133728 /nfs/dbraw/zinc/13/37/28/864133728.db2.gz RLIQEHAZGMWMHN-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000607238777 864202157 /nfs/dbraw/zinc/20/21/57/864202157.db2.gz URTAUELAOFJBBC-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480223685 864294712 /nfs/dbraw/zinc/29/47/12/864294712.db2.gz IOLZKGSHDAPCNQ-HXUWFJFHSA-N 3 1 381.564 3.726 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480223685 864294728 /nfs/dbraw/zinc/29/47/28/864294728.db2.gz IOLZKGSHDAPCNQ-HXUWFJFHSA-N 3 1 381.564 3.726 20 0 GHADMP Cc1c[nH+]ccc1N1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168056938 864363248 /nfs/dbraw/zinc/36/32/48/864363248.db2.gz KFDDHTPQZLEEND-IUTQVRIDSA-N 2 1 378.564 3.954 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480282103 864421443 /nfs/dbraw/zinc/42/14/43/864421443.db2.gz XBGACDIFWYFSBW-FQEVSTJZSA-N 3 1 381.564 3.726 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480282103 864421446 /nfs/dbraw/zinc/42/14/46/864421446.db2.gz XBGACDIFWYFSBW-FQEVSTJZSA-N 3 1 381.564 3.726 20 0 GHADMP CCC(CC)(CNC(=O)NCc1c[nH+]c2n1CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000554562448 864553738 /nfs/dbraw/zinc/55/37/38/864553738.db2.gz BLMRMGXGSYPAGW-GOSISDBHSA-N 2 1 397.567 3.928 20 0 GHADMP CCN1CC2(CC1=O)CC[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168060835 864721821 /nfs/dbraw/zinc/72/18/21/864721821.db2.gz YKXATJJWUJEKFM-VTYHHJSWSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655711310 864937987 /nfs/dbraw/zinc/93/79/87/864937987.db2.gz HCMWSVFSXDFCHR-RXVVDRJESA-N 2 1 378.532 3.852 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000480608429 864939057 /nfs/dbraw/zinc/93/90/57/864939057.db2.gz JMGYLCVXVWHFSJ-CYFREDJKSA-N 2 1 398.595 3.758 20 0 GHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480622644 864987590 /nfs/dbraw/zinc/98/75/90/864987590.db2.gz VVMFZAZGHRHQEG-HXOBKFHXSA-N 2 1 395.522 3.627 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000840862450 865024733 /nfs/dbraw/zinc/02/47/33/865024733.db2.gz GMLYOWZMEYCZQP-STZQEDGTSA-N 2 1 381.520 3.750 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000840862450 865024748 /nfs/dbraw/zinc/02/47/48/865024748.db2.gz GMLYOWZMEYCZQP-STZQEDGTSA-N 2 1 381.520 3.750 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)COc3ccccc3C)C2)s1 ZINC000554851189 865042803 /nfs/dbraw/zinc/04/28/03/865042803.db2.gz AOQQXDGSIHQUDN-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3ccccc3C)C2)s1 ZINC000554851189 865042812 /nfs/dbraw/zinc/04/28/12/865042812.db2.gz AOQQXDGSIHQUDN-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3ccccc3C)C2)s1 ZINC000554851189 865042820 /nfs/dbraw/zinc/04/28/20/865042820.db2.gz AOQQXDGSIHQUDN-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000480686651 865086643 /nfs/dbraw/zinc/08/66/43/865086643.db2.gz CLPCUMUZYIPNFL-LJQANCHMSA-N 2 1 398.570 3.880 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000480692962 865098651 /nfs/dbraw/zinc/09/86/51/865098651.db2.gz BEGJYDIETSLCSH-NHCUHLMSSA-N 2 1 375.601 3.612 20 0 GHADMP CCSc1cccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000554883313 865112365 /nfs/dbraw/zinc/11/23/65/865112365.db2.gz BOUZHZKZJGEKOG-KDURUIRLSA-N 2 1 392.609 3.889 20 0 GHADMP CCSc1cccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000554883313 865112372 /nfs/dbraw/zinc/11/23/72/865112372.db2.gz BOUZHZKZJGEKOG-KDURUIRLSA-N 2 1 392.609 3.889 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)COC4)cc2)CC1 ZINC000480721326 865142377 /nfs/dbraw/zinc/14/23/77/865142377.db2.gz MFTSJDGHCBRJIJ-LJQANCHMSA-N 2 1 379.548 3.705 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1C ZINC000301105536 865157331 /nfs/dbraw/zinc/15/73/31/865157331.db2.gz PJMWYKQPNFZJQF-SJORKVTESA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2c1C ZINC000301105536 865157339 /nfs/dbraw/zinc/15/73/39/865157339.db2.gz PJMWYKQPNFZJQF-SJORKVTESA-N 2 1 385.581 3.943 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962111 865222768 /nfs/dbraw/zinc/22/27/68/865222768.db2.gz ZRFYSZCQAOBOHH-TZYAJKAJSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962111 865222780 /nfs/dbraw/zinc/22/27/80/865222780.db2.gz ZRFYSZCQAOBOHH-TZYAJKAJSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962111 865222792 /nfs/dbraw/zinc/22/27/92/865222792.db2.gz ZRFYSZCQAOBOHH-TZYAJKAJSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962111 865222806 /nfs/dbraw/zinc/22/28/06/865222806.db2.gz ZRFYSZCQAOBOHH-TZYAJKAJSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962111 865222816 /nfs/dbraw/zinc/22/28/16/865222816.db2.gz ZRFYSZCQAOBOHH-TZYAJKAJSA-N 2 1 391.559 3.706 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000501492811 865294389 /nfs/dbraw/zinc/29/43/89/865294389.db2.gz XFFOUHPENMQYAM-JQIJEIRASA-N 2 1 397.485 3.641 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000172081526 865483129 /nfs/dbraw/zinc/48/31/29/865483129.db2.gz PCGCPDWWSIKTAU-XXBNENTESA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000172081526 865483133 /nfs/dbraw/zinc/48/31/33/865483133.db2.gz PCGCPDWWSIKTAU-XXBNENTESA-N 2 1 379.548 3.838 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CN2C(=S)N=NC2CCC2CCCC2)CC1 ZINC000738090368 865484339 /nfs/dbraw/zinc/48/43/39/865484339.db2.gz QXTJDOYPSNPTOC-UHFFFAOYSA-N 2 1 379.618 3.699 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C(=S)N=NC2CCC2CCCC2)CC1 ZINC000738090368 865484344 /nfs/dbraw/zinc/48/43/44/865484344.db2.gz QXTJDOYPSNPTOC-UHFFFAOYSA-N 2 1 379.618 3.699 20 0 GHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481164961 865904121 /nfs/dbraw/zinc/90/41/21/865904121.db2.gz ILPPJQRJMCSHFB-CVDCTZTESA-N 2 1 397.538 3.674 20 0 GHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481164961 865904132 /nfs/dbraw/zinc/90/41/32/865904132.db2.gz ILPPJQRJMCSHFB-CVDCTZTESA-N 2 1 397.538 3.674 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000552801714 866288297 /nfs/dbraw/zinc/28/82/97/866288297.db2.gz OVTUDISVKSYYCR-UHFFFAOYSA-N 2 1 398.378 3.806 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534230506 866301142 /nfs/dbraw/zinc/30/11/42/866301142.db2.gz WTFRGIVMOHTXQL-NRFANRHFSA-N 2 1 398.522 3.554 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc4ccccc4c3)CC2)CC1 ZINC000552853291 866351427 /nfs/dbraw/zinc/35/14/27/866351427.db2.gz VZKJYNDVQYENIC-UHFFFAOYSA-N 2 1 393.575 3.995 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000478632200 866391591 /nfs/dbraw/zinc/39/15/91/866391591.db2.gz QQMQEVBKXCCUGJ-KRWDZBQOSA-N 2 1 377.598 3.926 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(OC)c1 ZINC000153494554 866538245 /nfs/dbraw/zinc/53/82/45/866538245.db2.gz WPVKMNLAYVQKRV-MSOLQXFVSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(OC)c1 ZINC000153494554 866538260 /nfs/dbraw/zinc/53/82/60/866538260.db2.gz WPVKMNLAYVQKRV-MSOLQXFVSA-N 2 1 384.520 3.775 20 0 GHADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000478801920 866671361 /nfs/dbraw/zinc/67/13/61/866671361.db2.gz SCAYTQIFNSIDBA-ZRCGQRJVSA-N 2 1 398.595 3.687 20 0 GHADMP C[N@@H+](CCOCC(F)(F)C(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807275 882009266 /nfs/dbraw/zinc/00/92/66/882009266.db2.gz VAPTYZBXUKBIRR-UHFFFAOYSA-N 2 1 377.426 3.537 20 0 GHADMP CCN(Cc1ccccc1Cl)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553270082 867074218 /nfs/dbraw/zinc/07/42/18/867074218.db2.gz ZMPMUAABJVZJTQ-UHFFFAOYSA-N 2 1 391.987 3.885 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000534609879 867134334 /nfs/dbraw/zinc/13/43/34/867134334.db2.gz OZEOGNVAAIKCNW-HGSOSGBHSA-N 2 1 392.547 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000534609879 867134344 /nfs/dbraw/zinc/13/43/44/867134344.db2.gz OZEOGNVAAIKCNW-HGSOSGBHSA-N 2 1 392.547 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000534609879 867134350 /nfs/dbraw/zinc/13/43/50/867134350.db2.gz OZEOGNVAAIKCNW-HGSOSGBHSA-N 2 1 392.547 3.567 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000534710452 867299210 /nfs/dbraw/zinc/29/92/10/867299210.db2.gz VZPBZYPBGKZLDK-RTBURBONSA-N 2 1 395.547 3.918 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479194844 867310001 /nfs/dbraw/zinc/31/00/01/867310001.db2.gz YLMOUOHFBVEDSL-VGOFRKELSA-N 2 1 383.511 3.559 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000620763627 867320247 /nfs/dbraw/zinc/32/02/47/867320247.db2.gz BBTUAHSJHSUETK-NRFANRHFSA-N 2 1 380.536 3.782 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523449059 867332495 /nfs/dbraw/zinc/33/24/95/867332495.db2.gz VOSXUGTUYBMTKF-VXKWHMMOSA-N 2 1 388.596 3.983 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523449059 867332517 /nfs/dbraw/zinc/33/25/17/867332517.db2.gz VOSXUGTUYBMTKF-VXKWHMMOSA-N 2 1 388.596 3.983 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553430068 867384048 /nfs/dbraw/zinc/38/40/48/867384048.db2.gz GUCCHHPMWDRODU-SLYNCCJLSA-N 2 1 384.568 3.578 20 0 GHADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000154542144 867456349 /nfs/dbraw/zinc/45/63/49/867456349.db2.gz JZBPMPJTOFHBSF-LJQANCHMSA-N 2 1 382.390 3.908 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479272614 867495977 /nfs/dbraw/zinc/49/59/77/867495977.db2.gz DHDZSWKNDFHRTK-AAEUAGOBSA-N 2 1 395.263 3.575 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479272618 867496295 /nfs/dbraw/zinc/49/62/95/867496295.db2.gz DHDZSWKNDFHRTK-DGCLKSJQSA-N 2 1 395.263 3.575 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000523580466 867576482 /nfs/dbraw/zinc/57/64/82/867576482.db2.gz OOCMALDLPCNVTG-RTBURBONSA-N 2 1 379.548 3.679 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000523580466 867576494 /nfs/dbraw/zinc/57/64/94/867576494.db2.gz OOCMALDLPCNVTG-RTBURBONSA-N 2 1 379.548 3.679 20 0 GHADMP CCc1ccc(C[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000523635601 867699330 /nfs/dbraw/zinc/69/93/30/867699330.db2.gz KSNKSFIBIUXXDN-UHFFFAOYSA-N 2 1 379.548 3.593 20 0 GHADMP CCc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000523635601 867699336 /nfs/dbraw/zinc/69/93/36/867699336.db2.gz KSNKSFIBIUXXDN-UHFFFAOYSA-N 2 1 379.548 3.593 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000534961025 867798682 /nfs/dbraw/zinc/79/86/82/867798682.db2.gz LDTAWXWDLJRQIR-KRWDZBQOSA-N 2 1 392.563 3.587 20 0 GHADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444950 867814318 /nfs/dbraw/zinc/81/43/18/867814318.db2.gz KNFHDBFVWQWWJQ-XXBNENTESA-N 2 1 379.548 3.538 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857256466 882148325 /nfs/dbraw/zinc/14/83/25/882148325.db2.gz JBJFBAHOUAMUAG-DZFGPLHGSA-N 2 1 383.536 3.948 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+]1CCCC1 ZINC000465568490 868052754 /nfs/dbraw/zinc/05/27/54/868052754.db2.gz DNAIWNOVHFUMGC-QHAWAJNXSA-N 2 1 378.605 3.544 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000133293543 882148877 /nfs/dbraw/zinc/14/88/77/882148877.db2.gz XCOZAEXFHMGLHN-JOCHJYFZSA-N 2 1 393.575 3.818 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000553804828 868255670 /nfs/dbraw/zinc/25/56/70/868255670.db2.gz OSQBMFIMVBTCBN-ZRCGQRJVSA-N 2 1 398.595 3.829 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272271679 868476395 /nfs/dbraw/zinc/47/63/95/868476395.db2.gz BMRMYXVNRGIUDF-WAOWUJCRSA-N 2 1 386.561 3.651 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C)c1F ZINC000156972817 868517999 /nfs/dbraw/zinc/51/79/99/868517999.db2.gz GULJRDAIORZCSU-NQIIRXRSSA-N 2 1 397.538 3.991 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457647701 868568045 /nfs/dbraw/zinc/56/80/45/868568045.db2.gz JRALRENIPDTWGE-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[NH+]2CCCC2)cc1 ZINC000524136758 868581479 /nfs/dbraw/zinc/58/14/79/868581479.db2.gz ONJYWSIBZCDGSQ-HSZRJFAPSA-N 2 1 398.595 3.792 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[N@H+]5CCC[C@H]5C4)cc3)nc12 ZINC000621055835 868612781 /nfs/dbraw/zinc/61/27/81/868612781.db2.gz BDYYYTVQSXYSBV-IRLDBZIGSA-N 2 1 390.531 3.938 20 0 GHADMP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156063 868625878 /nfs/dbraw/zinc/62/58/78/868625878.db2.gz FXHUQZSNPKMHPU-IBGZPJMESA-N 2 1 377.598 3.636 20 0 GHADMP COC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(Cl)c1F ZINC000554049139 868649344 /nfs/dbraw/zinc/64/93/44/868649344.db2.gz JREXMAYDAOUKCK-LJQANCHMSA-N 2 1 380.891 3.897 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC000524207175 868704340 /nfs/dbraw/zinc/70/43/40/868704340.db2.gz WYRXCYZWOWRGNN-UHFFFAOYSA-N 2 1 391.987 3.584 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000621107738 868720031 /nfs/dbraw/zinc/72/00/31/868720031.db2.gz LQLJGCVLKBBUKF-PZJWPPBQSA-N 2 1 398.595 3.731 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000621107738 868720034 /nfs/dbraw/zinc/72/00/34/868720034.db2.gz LQLJGCVLKBBUKF-PZJWPPBQSA-N 2 1 398.595 3.731 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000157878687 868789170 /nfs/dbraw/zinc/78/91/70/868789170.db2.gz WTPGNGUPIBKPSK-ROUUACIJSA-N 2 1 381.586 3.753 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000554136051 868803353 /nfs/dbraw/zinc/80/33/53/868803353.db2.gz CLSJTBMDHKKRPA-HXUWFJFHSA-N 2 1 390.572 3.540 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000554136051 868803372 /nfs/dbraw/zinc/80/33/72/868803372.db2.gz CLSJTBMDHKKRPA-HXUWFJFHSA-N 2 1 390.572 3.540 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000554136051 868803391 /nfs/dbraw/zinc/80/33/91/868803391.db2.gz CLSJTBMDHKKRPA-HXUWFJFHSA-N 2 1 390.572 3.540 20 0 GHADMP CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462243510 869082542 /nfs/dbraw/zinc/08/25/42/869082542.db2.gz DPGDYQKMUZURAV-QUCCMNQESA-N 2 1 396.535 3.568 20 0 GHADMP CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000462243510 869082554 /nfs/dbraw/zinc/08/25/54/869082554.db2.gz DPGDYQKMUZURAV-QUCCMNQESA-N 2 1 396.535 3.568 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000744873232 869134169 /nfs/dbraw/zinc/13/41/69/869134169.db2.gz DHKJIHZROGCMCF-HXUWFJFHSA-N 2 1 392.632 3.985 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC3([NH+](C)C)CCC3)cc2)C1 ZINC000446133963 869420930 /nfs/dbraw/zinc/42/09/30/869420930.db2.gz BOODRLFXBPIPHS-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000793604209 882308320 /nfs/dbraw/zinc/30/83/20/882308320.db2.gz CXRPTISTYMNXDG-GGPKGHCWSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000793604209 882308336 /nfs/dbraw/zinc/30/83/36/882308336.db2.gz CXRPTISTYMNXDG-GGPKGHCWSA-N 2 1 375.557 3.932 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000539864091 869926645 /nfs/dbraw/zinc/92/66/45/869926645.db2.gz XWHVWJXEEVCYMK-IBGZPJMESA-N 2 1 385.527 3.994 20 0 GHADMP CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OCC(C)C ZINC000539898207 869987392 /nfs/dbraw/zinc/98/73/92/869987392.db2.gz NCUWRXUZHCNMMZ-JAXLGGSGSA-N 2 1 390.568 3.804 20 0 GHADMP CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OCC(C)C ZINC000539898207 869987399 /nfs/dbraw/zinc/98/73/99/869987399.db2.gz NCUWRXUZHCNMMZ-JAXLGGSGSA-N 2 1 390.568 3.804 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900487 869990088 /nfs/dbraw/zinc/99/00/88/869990088.db2.gz VLSJMWIQDJIOSX-AEFFLSMTSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900487 869990095 /nfs/dbraw/zinc/99/00/95/869990095.db2.gz VLSJMWIQDJIOSX-AEFFLSMTSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900487 869990105 /nfs/dbraw/zinc/99/01/05/869990105.db2.gz VLSJMWIQDJIOSX-AEFFLSMTSA-N 2 1 378.442 3.807 20 0 GHADMP CN(C)C(=O)c1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000247992983 870258124 /nfs/dbraw/zinc/25/81/24/870258124.db2.gz JPKOQDGEHRWSQN-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000248033556 870266542 /nfs/dbraw/zinc/26/65/42/870266542.db2.gz UHBBYWLCRWPMAJ-SFHVURJKSA-N 2 1 392.503 3.560 20 0 GHADMP COC(=O)c1ccc(OCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(Cl)c1 ZINC000525275343 870310209 /nfs/dbraw/zinc/31/02/09/870310209.db2.gz URKCEYTYKZXWFD-UHFFFAOYSA-N 2 1 382.932 3.558 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000248177366 870310600 /nfs/dbraw/zinc/31/06/00/870310600.db2.gz VWCIURBQYSHPCK-FYYLOGMGSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775524288 870342030 /nfs/dbraw/zinc/34/20/30/870342030.db2.gz FAZIDYRRGRVZDM-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248392870 870361741 /nfs/dbraw/zinc/36/17/41/870361741.db2.gz DKXMGSYVPHYRFY-PLACYPQZSA-N 2 1 395.513 3.761 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000462944738 870480296 /nfs/dbraw/zinc/48/02/96/870480296.db2.gz KKDBCDSOJGOGSS-MAUKXSAKSA-N 2 1 378.451 3.776 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000248580198 870512360 /nfs/dbraw/zinc/51/23/60/870512360.db2.gz OJWSJGNJNYVXRH-LTMIRXACSA-N 2 1 389.559 3.882 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000248580198 870512367 /nfs/dbraw/zinc/51/23/67/870512367.db2.gz OJWSJGNJNYVXRH-LTMIRXACSA-N 2 1 389.559 3.882 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000538762788 870606369 /nfs/dbraw/zinc/60/63/69/870606369.db2.gz JUDAOIUOLFKRBD-QHCPKHFHSA-N 2 1 395.595 3.596 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244673 870846127 /nfs/dbraw/zinc/84/61/27/870846127.db2.gz FBZIZMVQEZDZKT-KGVIQGDOSA-N 2 1 378.532 3.867 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244673 870846143 /nfs/dbraw/zinc/84/61/43/870846143.db2.gz FBZIZMVQEZDZKT-KGVIQGDOSA-N 2 1 378.532 3.867 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C(C)C)cc1 ZINC000540260680 870864468 /nfs/dbraw/zinc/86/44/68/870864468.db2.gz MTCOHBCZBOZASR-DEOSSOPVSA-N 2 1 381.564 3.930 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168824247 870876799 /nfs/dbraw/zinc/87/67/99/870876799.db2.gz OELLGGBZJOQJOL-WIYYLYMNSA-N 2 1 387.568 3.681 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(CC[NH+](CC)CC(C)C)CC2)C1 ZINC000540277117 870892875 /nfs/dbraw/zinc/89/28/75/870892875.db2.gz UURVPLJLLTWWSY-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)C1 ZINC000540277117 870892884 /nfs/dbraw/zinc/89/28/84/870892884.db2.gz UURVPLJLLTWWSY-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1 ZINC000540277117 870892898 /nfs/dbraw/zinc/89/28/98/870892898.db2.gz UURVPLJLLTWWSY-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001168838080 870896468 /nfs/dbraw/zinc/89/64/68/870896468.db2.gz MEEQNDKANYRIPG-VQTJNVASSA-N 2 1 375.557 3.873 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000249744785 870897758 /nfs/dbraw/zinc/89/77/58/870897758.db2.gz LYVVCCHVIHLSIR-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000249744785 870897768 /nfs/dbraw/zinc/89/77/68/870897768.db2.gz LYVVCCHVIHLSIR-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000249744785 870897783 /nfs/dbraw/zinc/89/77/83/870897783.db2.gz LYVVCCHVIHLSIR-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP COc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463115993 870951855 /nfs/dbraw/zinc/95/18/55/870951855.db2.gz ALJJKLIWYGOHTO-JOCHJYFZSA-N 2 1 379.548 3.571 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)Cc2cccs2)CC1)CC1CC1 ZINC000538950121 870960616 /nfs/dbraw/zinc/96/06/16/870960616.db2.gz UDOXWBGUBGUFJE-UHFFFAOYSA-N 2 1 377.598 3.541 20 0 GHADMP C[C@@H]1C[C@@H](NCC2([NH+]3CCSCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463147293 870975524 /nfs/dbraw/zinc/97/55/24/870975524.db2.gz UZHYYNQFSLPCDT-IRLDBZIGSA-N 2 1 387.637 3.991 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463147293 870975551 /nfs/dbraw/zinc/97/55/51/870975551.db2.gz UZHYYNQFSLPCDT-IRLDBZIGSA-N 2 1 387.637 3.991 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463147293 870975561 /nfs/dbraw/zinc/97/55/61/870975561.db2.gz UZHYYNQFSLPCDT-IRLDBZIGSA-N 2 1 387.637 3.991 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000461798066 870976891 /nfs/dbraw/zinc/97/68/91/870976891.db2.gz MSMCDOBZRIARSU-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000461798066 870976900 /nfs/dbraw/zinc/97/69/00/870976900.db2.gz MSMCDOBZRIARSU-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000461798066 870976905 /nfs/dbraw/zinc/97/69/05/870976905.db2.gz MSMCDOBZRIARSU-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000461800022 870981905 /nfs/dbraw/zinc/98/19/05/870981905.db2.gz GSGCAIXCBBDAID-ONTIZHBOSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461800022 870981916 /nfs/dbraw/zinc/98/19/16/870981916.db2.gz GSGCAIXCBBDAID-ONTIZHBOSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461800022 870981928 /nfs/dbraw/zinc/98/19/28/870981928.db2.gz GSGCAIXCBBDAID-ONTIZHBOSA-N 2 1 388.600 3.801 20 0 GHADMP COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)c1 ZINC000463138012 870989772 /nfs/dbraw/zinc/98/97/72/870989772.db2.gz NWGOVPPYPACDSG-APTRMMRNSA-N 2 1 381.564 3.941 20 0 GHADMP [NH3+][C@@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)C1 ZINC001156233644 871004436 /nfs/dbraw/zinc/00/44/36/871004436.db2.gz UPLIYNCCCXWUFP-CQSZACIVSA-N 2 1 399.589 3.943 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463191672 871097584 /nfs/dbraw/zinc/09/75/84/871097584.db2.gz NCCPANDIFXHYAZ-UPVQGACJSA-N 3 1 398.639 3.579 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463191672 871097600 /nfs/dbraw/zinc/09/76/00/871097600.db2.gz NCCPANDIFXHYAZ-UPVQGACJSA-N 3 1 398.639 3.579 20 0 GHADMP C[C@H]1C[C@H](NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000463206902 871137528 /nfs/dbraw/zinc/13/75/28/871137528.db2.gz QRTHEVQTYFGMNT-GBXCKJPGSA-N 2 1 377.576 3.728 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnc4c(F)cccc4c3)CC2)CC1 ZINC000618033050 871155718 /nfs/dbraw/zinc/15/57/18/871155718.db2.gz ABYMKSGBAIOKRA-UHFFFAOYSA-N 2 1 384.499 3.509 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)CC2)c1 ZINC001169135540 871225063 /nfs/dbraw/zinc/22/50/63/871225063.db2.gz ZEQZWYODJKFAQR-NUNAXRQHSA-N 2 1 397.607 3.998 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000252003722 871243749 /nfs/dbraw/zinc/24/37/49/871243749.db2.gz ZEIMGDRWXCGPIA-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000463284182 871329527 /nfs/dbraw/zinc/32/95/27/871329527.db2.gz VFKDTSVCWVJRNT-ZEQRLZLVSA-N 2 1 381.539 3.868 20 0 GHADMP CC[NH+]1CCC([NH2+]C2(Cc3cccc(Br)c3)CCOCC2)CC1 ZINC001169240465 871338875 /nfs/dbraw/zinc/33/88/75/871338875.db2.gz IYAULSJOHAVFND-UHFFFAOYSA-N 2 1 381.358 3.615 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000447313295 871358714 /nfs/dbraw/zinc/35/87/14/871358714.db2.gz QOGVWYCEOGFPJU-YADHBBJMSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000447313295 871358734 /nfs/dbraw/zinc/35/87/34/871358734.db2.gz QOGVWYCEOGFPJU-YADHBBJMSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000447313295 871358747 /nfs/dbraw/zinc/35/87/47/871358747.db2.gz QOGVWYCEOGFPJU-YADHBBJMSA-N 2 1 392.547 3.705 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)C[C@@H](C)O1 ZINC000539145970 871371822 /nfs/dbraw/zinc/37/18/22/871371822.db2.gz DBSQFRQZRPUQBE-PMAPCBKXSA-N 2 1 390.543 3.793 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000539201089 871488864 /nfs/dbraw/zinc/48/88/64/871488864.db2.gz MIBFWPITMNJHTL-DYESRHJHSA-N 2 1 399.966 3.758 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000462067045 871516817 /nfs/dbraw/zinc/51/68/17/871516817.db2.gz KGKUXIWJSOXVTE-UHFFFAOYSA-N 2 1 396.535 3.576 20 0 GHADMP [NH3+]C1(c2ccc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2)CC1 ZINC001169517543 871625114 /nfs/dbraw/zinc/62/51/14/871625114.db2.gz GLJGBCOEHXBFPR-RXVVDRJESA-N 2 1 379.504 3.506 20 0 GHADMP CC[C@@H](C)[C@H]([NH2+]C1CC[NH+](CC)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000462114765 871640350 /nfs/dbraw/zinc/64/03/50/871640350.db2.gz YIROMSMCHDHITM-YKSBVNFPSA-N 2 1 399.623 3.956 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(=O)Cc1ccccc1 ZINC001169666008 871735243 /nfs/dbraw/zinc/73/52/43/871735243.db2.gz HPNJMMJQNJFLQV-QFIPXVFZSA-N 2 1 380.532 3.663 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC(=O)Cc1ccccc1 ZINC001169666008 871735252 /nfs/dbraw/zinc/73/52/52/871735252.db2.gz HPNJMMJQNJFLQV-QFIPXVFZSA-N 2 1 380.532 3.663 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001169668632 871737181 /nfs/dbraw/zinc/73/71/81/871737181.db2.gz HFMDNUNSNAIVQD-GOSISDBHSA-N 2 1 379.932 3.601 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000552090379 871994177 /nfs/dbraw/zinc/99/41/77/871994177.db2.gz IFBVMEFOJLLKRB-YLJYHZDGSA-N 2 1 381.524 3.512 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000477909637 872117341 /nfs/dbraw/zinc/11/73/41/872117341.db2.gz DYQPTIJABJXSQA-HCLVMJGWSA-N 2 1 388.502 3.616 20 0 GHADMP C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195075555 872157797 /nfs/dbraw/zinc/15/77/97/872157797.db2.gz VHLULSWTUUVECS-QFBILLFUSA-N 2 1 377.960 3.856 20 0 GHADMP C[C@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195075555 872157801 /nfs/dbraw/zinc/15/78/01/872157801.db2.gz VHLULSWTUUVECS-QFBILLFUSA-N 2 1 377.960 3.856 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H]2CCC[C@H]21 ZINC000552251049 872270193 /nfs/dbraw/zinc/27/01/93/872270193.db2.gz JJYDWOCUKMYCSQ-MVJPYGJCSA-N 2 1 392.385 3.738 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000093712319 872362639 /nfs/dbraw/zinc/36/26/39/872362639.db2.gz PGRMNZAGJLWVQR-MUUNZHRXSA-N 2 1 399.604 3.588 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000093712319 872362659 /nfs/dbraw/zinc/36/26/59/872362659.db2.gz PGRMNZAGJLWVQR-MUUNZHRXSA-N 2 1 399.604 3.588 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834865 872373714 /nfs/dbraw/zinc/37/37/14/872373714.db2.gz LXWYXBQTURRXLB-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[NH+]1Cc1cccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834865 872373726 /nfs/dbraw/zinc/37/37/26/872373726.db2.gz LXWYXBQTURRXLB-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[NH+]1Cc1cccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834865 872373735 /nfs/dbraw/zinc/37/37/35/872373735.db2.gz LXWYXBQTURRXLB-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001129363823 872426528 /nfs/dbraw/zinc/42/65/28/872426528.db2.gz GYIGYWXVJCVYAD-DHIUTWEWSA-N 2 1 391.559 3.808 20 0 GHADMP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000540965812 872644648 /nfs/dbraw/zinc/64/46/48/872644648.db2.gz YXCZZDQSFXHDBG-PKOBYXMFSA-N 2 1 378.520 3.630 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(C)ccc2C)cc1 ZINC000541022670 872737930 /nfs/dbraw/zinc/73/79/30/872737930.db2.gz LEGKBLMEJQKOTO-XMSQKQJNSA-N 2 1 379.504 3.888 20 0 GHADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC001195910316 872751028 /nfs/dbraw/zinc/75/10/28/872751028.db2.gz NSAGXDNMGINYMS-UHFFFAOYSA-N 2 1 377.492 3.512 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000478283518 872799409 /nfs/dbraw/zinc/79/94/09/872799409.db2.gz HIKMCGSPROQOLZ-NIKGAXFTSA-N 2 1 381.511 3.772 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000478283518 872799413 /nfs/dbraw/zinc/79/94/13/872799413.db2.gz HIKMCGSPROQOLZ-NIKGAXFTSA-N 2 1 381.511 3.772 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000552561045 872809321 /nfs/dbraw/zinc/80/93/21/872809321.db2.gz VDBTTWLTLYEBGF-MBSDFSHPSA-N 2 1 377.532 3.722 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000552561045 872809337 /nfs/dbraw/zinc/80/93/37/872809337.db2.gz VDBTTWLTLYEBGF-MBSDFSHPSA-N 2 1 377.532 3.722 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC1CCC([NH+]3CCC(C)CC3)CC1)CC2 ZINC000152751054 872834623 /nfs/dbraw/zinc/83/46/23/872834623.db2.gz PHBUUMIDUBUONB-XABBQPORSA-N 2 1 390.616 3.686 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCCC2)CC1 ZINC001196040419 872850066 /nfs/dbraw/zinc/85/00/66/872850066.db2.gz WIDQSMPUJFGDHM-IFMALSPDSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCC2)CC1 ZINC001196040419 872850074 /nfs/dbraw/zinc/85/00/74/872850074.db2.gz WIDQSMPUJFGDHM-IFMALSPDSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCC2)CC1 ZINC001196040419 872850086 /nfs/dbraw/zinc/85/00/86/872850086.db2.gz WIDQSMPUJFGDHM-IFMALSPDSA-N 2 1 383.580 3.812 20 0 GHADMP COc1ccc2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000775691369 872963453 /nfs/dbraw/zinc/96/34/53/872963453.db2.gz UGPZISIPMDGUSV-HTAPYJJXSA-N 2 1 392.499 3.802 20 0 GHADMP COc1ccc2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000775691369 872963461 /nfs/dbraw/zinc/96/34/61/872963461.db2.gz UGPZISIPMDGUSV-HTAPYJJXSA-N 2 1 392.499 3.802 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000448213431 873059879 /nfs/dbraw/zinc/05/98/79/873059879.db2.gz MHRDCUKIKUPTNK-DYXWJJEUSA-N 2 1 390.616 3.545 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000448213431 873059895 /nfs/dbraw/zinc/05/98/95/873059895.db2.gz MHRDCUKIKUPTNK-DYXWJJEUSA-N 2 1 390.616 3.545 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000448213431 873059911 /nfs/dbraw/zinc/05/99/11/873059911.db2.gz MHRDCUKIKUPTNK-DYXWJJEUSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)nc1Cl ZINC001196394367 873072106 /nfs/dbraw/zinc/07/21/06/873072106.db2.gz XOHMSMRWTKLNKR-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)nc1Cl ZINC001196394367 873072120 /nfs/dbraw/zinc/07/21/20/873072120.db2.gz XOHMSMRWTKLNKR-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)nc1Cl ZINC001196394367 873072138 /nfs/dbraw/zinc/07/21/38/873072138.db2.gz XOHMSMRWTKLNKR-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)nc1Cl ZINC001196394367 873072154 /nfs/dbraw/zinc/07/21/54/873072154.db2.gz XOHMSMRWTKLNKR-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP C[N@@H+](CCC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCCCC1 ZINC000527485807 873154394 /nfs/dbraw/zinc/15/43/94/873154394.db2.gz KUCSKLLIAVBQAA-UHFFFAOYSA-N 2 1 389.506 3.563 20 0 GHADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000541228364 873160386 /nfs/dbraw/zinc/16/03/86/873160386.db2.gz IUKZRQKSNJJZQV-OAQYLSRUSA-N 2 1 383.555 3.896 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000768518343 873378512 /nfs/dbraw/zinc/37/85/12/873378512.db2.gz BNSUOMPKEMKIEA-XXBNENTESA-N 2 1 382.548 3.763 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000541398939 873513116 /nfs/dbraw/zinc/51/31/16/873513116.db2.gz RAADCPYYLGUZBG-WSTZPKSXSA-N 2 1 386.584 3.872 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000541398939 873513127 /nfs/dbraw/zinc/51/31/27/873513127.db2.gz RAADCPYYLGUZBG-WSTZPKSXSA-N 2 1 386.584 3.872 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)n1cccn1 ZINC000527740259 873543729 /nfs/dbraw/zinc/54/37/29/873543729.db2.gz ZKGSNXALJUPEGI-MSOLQXFVSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)n1cccn1 ZINC000527740259 873543735 /nfs/dbraw/zinc/54/37/35/873543735.db2.gz ZKGSNXALJUPEGI-MSOLQXFVSA-N 2 1 378.442 3.773 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197167402 873633555 /nfs/dbraw/zinc/63/35/55/873633555.db2.gz HOLMPCZYJDHSGB-RTBURBONSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197167402 873633562 /nfs/dbraw/zinc/63/35/62/873633562.db2.gz HOLMPCZYJDHSGB-RTBURBONSA-N 2 1 376.545 3.693 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000541523845 873771142 /nfs/dbraw/zinc/77/11/42/873771142.db2.gz HZYWRIQCXSZBFV-AZUAARDMSA-N 2 1 386.584 3.874 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCCCSc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601314 873921681 /nfs/dbraw/zinc/92/16/81/873921681.db2.gz YBIUHTIYIAEWDS-RBUKOAKNSA-N 2 1 389.609 3.528 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCCCSc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601314 873921686 /nfs/dbraw/zinc/92/16/86/873921686.db2.gz YBIUHTIYIAEWDS-RBUKOAKNSA-N 2 1 389.609 3.528 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494667745 882781130 /nfs/dbraw/zinc/78/11/30/882781130.db2.gz KGTOZQIGYCBJNN-YVWKXTFCSA-N 2 1 397.485 3.737 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000464563558 874083121 /nfs/dbraw/zinc/08/31/21/874083121.db2.gz MCGYZBOPGXOZGP-REWPJTCUSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000550894649 882792873 /nfs/dbraw/zinc/79/28/73/882792873.db2.gz ITSNYNODTBKODO-VGSWGCGISA-N 2 1 387.543 3.874 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000449070757 874449606 /nfs/dbraw/zinc/44/96/06/874449606.db2.gz FIVDBTXRXAKBMX-LJQANCHMSA-N 2 1 379.548 3.574 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464782594 874487394 /nfs/dbraw/zinc/48/73/94/874487394.db2.gz YLEYTVBWWPNWJT-TZIWHRDSSA-N 2 1 376.585 3.696 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464782594 874487397 /nfs/dbraw/zinc/48/73/97/874487397.db2.gz YLEYTVBWWPNWJT-TZIWHRDSSA-N 2 1 376.585 3.696 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000541915716 874518373 /nfs/dbraw/zinc/51/83/73/874518373.db2.gz XMAAOTPDCBCQRD-DNVFCKCGSA-N 2 1 382.548 3.934 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858097904 882844234 /nfs/dbraw/zinc/84/42/34/882844234.db2.gz DLOFFFFCORIFCS-OAHLLOKOSA-N 2 1 391.357 3.847 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858097904 882844256 /nfs/dbraw/zinc/84/42/56/882844256.db2.gz DLOFFFFCORIFCS-OAHLLOKOSA-N 2 1 391.357 3.847 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000770327200 874601587 /nfs/dbraw/zinc/60/15/87/874601587.db2.gz RFUVINDFGNNTBT-GMAHTHKFSA-N 2 1 397.563 3.900 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449217828 874608150 /nfs/dbraw/zinc/60/81/50/874608150.db2.gz CCHBAPPXHQSFAH-SFHVURJKSA-N 2 1 388.577 3.824 20 0 GHADMP C[C@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)C1 ZINC000541952714 874622114 /nfs/dbraw/zinc/62/21/14/874622114.db2.gz VZENDUVYHSLPOL-PGRDOPGGSA-N 2 1 387.593 3.686 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449265526 874681443 /nfs/dbraw/zinc/68/14/43/874681443.db2.gz SBMDUKWQFNEHLJ-OWSXEPHWSA-N 2 1 396.579 3.552 20 0 GHADMP CCC(CC)([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000134332159 882854141 /nfs/dbraw/zinc/85/41/41/882854141.db2.gz SXBPOSPDGALFMF-UHFFFAOYSA-N 2 1 387.959 3.687 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1c[nH+]ccc1N(C)C)[C@H](C)Cc1ccc(O)cc1 ZINC001183047415 912216818 /nfs/dbraw/zinc/21/68/18/912216818.db2.gz FALANHWQOUEDGU-QGZVFWFLSA-N 2 1 384.524 3.525 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]2CCCC[C@@H]21 ZINC000542046589 874816509 /nfs/dbraw/zinc/81/65/09/874816509.db2.gz ITUKEQGFBHIJOE-DUXKGJEZSA-N 2 1 387.593 3.684 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cccc2C1 ZINC001199345395 874915497 /nfs/dbraw/zinc/91/54/97/874915497.db2.gz RBTKPXJPILDYEO-LEWJYISDSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cccc2C1 ZINC001199345395 874915506 /nfs/dbraw/zinc/91/55/06/874915506.db2.gz RBTKPXJPILDYEO-LEWJYISDSA-N 2 1 385.552 3.696 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000449512004 874977025 /nfs/dbraw/zinc/97/70/25/874977025.db2.gz ZCIBXOCVLVCDFN-ZJSXRUAMSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000449512004 874977033 /nfs/dbraw/zinc/97/70/33/874977033.db2.gz ZCIBXOCVLVCDFN-ZJSXRUAMSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000449512004 874977043 /nfs/dbraw/zinc/97/70/43/874977043.db2.gz ZCIBXOCVLVCDFN-ZJSXRUAMSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000449512004 874977053 /nfs/dbraw/zinc/97/70/53/874977053.db2.gz ZCIBXOCVLVCDFN-ZJSXRUAMSA-N 2 1 385.596 3.522 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000528734322 874983259 /nfs/dbraw/zinc/98/32/59/874983259.db2.gz BCOKDNKGJCWWHC-WXFUMESZSA-N 2 1 397.607 3.725 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000528734322 874983268 /nfs/dbraw/zinc/98/32/68/874983268.db2.gz BCOKDNKGJCWWHC-WXFUMESZSA-N 2 1 397.607 3.725 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000528734322 874983271 /nfs/dbraw/zinc/98/32/71/874983271.db2.gz BCOKDNKGJCWWHC-WXFUMESZSA-N 2 1 397.607 3.725 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000528778768 875051214 /nfs/dbraw/zinc/05/12/14/875051214.db2.gz NCFPWRXFPCFGRZ-NHCUHLMSSA-N 2 1 380.536 3.630 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001170024719 875195001 /nfs/dbraw/zinc/19/50/01/875195001.db2.gz BXBFPRCXQCOCKQ-DEOSSOPVSA-N 2 1 391.559 3.905 20 0 GHADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000465199483 875310276 /nfs/dbraw/zinc/31/02/76/875310276.db2.gz XSKPOZRTDOLFKI-GCJKJVERSA-N 2 1 381.520 3.649 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000465199483 875310291 /nfs/dbraw/zinc/31/02/91/875310291.db2.gz XSKPOZRTDOLFKI-GCJKJVERSA-N 2 1 381.520 3.649 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@@H](c4cccc(Cl)c4)C3)cn2)CC1 ZINC000449789123 875411600 /nfs/dbraw/zinc/41/16/00/875411600.db2.gz GJSMRKOWIMSNMA-CTNGQTDRSA-N 2 1 399.970 3.698 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000476732294 882946805 /nfs/dbraw/zinc/94/68/05/882946805.db2.gz RFQPVXVSVWSKRC-HXUWFJFHSA-N 2 1 386.584 3.505 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC001201429071 875683750 /nfs/dbraw/zinc/68/37/50/875683750.db2.gz UQTSAISHFMUZNX-GOSISDBHSA-N 2 1 377.573 3.796 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001201409494 875688428 /nfs/dbraw/zinc/68/84/28/875688428.db2.gz VJJFCDDJEWITGN-MOPGFXCFSA-N 2 1 375.582 3.802 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001201409614 875690390 /nfs/dbraw/zinc/69/03/90/875690390.db2.gz BVIOLGSMSVUUMR-IFMALSPDSA-N 2 1 376.585 3.572 20 0 GHADMP Cc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc(C)c1OCc1ccccc1Cl ZINC001201607384 875782783 /nfs/dbraw/zinc/78/27/83/875782783.db2.gz ALNXBUBONZFLEH-JOCHJYFZSA-N 2 1 390.955 3.938 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000192606945 882967818 /nfs/dbraw/zinc/96/78/18/882967818.db2.gz NMDYQJSOFGAACT-VQIMIIECSA-N 2 1 381.545 3.743 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000192606945 882967821 /nfs/dbraw/zinc/96/78/21/882967821.db2.gz NMDYQJSOFGAACT-VQIMIIECSA-N 2 1 381.545 3.743 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000772340967 875900117 /nfs/dbraw/zinc/90/01/17/875900117.db2.gz AFWHKLOEXJWPQW-CEWLAPEOSA-N 2 1 390.568 3.541 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000772340967 875900131 /nfs/dbraw/zinc/90/01/31/875900131.db2.gz AFWHKLOEXJWPQW-CEWLAPEOSA-N 2 1 390.568 3.541 20 0 GHADMP COc1cc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC001201954052 875952808 /nfs/dbraw/zinc/95/28/08/875952808.db2.gz FLINVOGXTBFOFS-KRWDZBQOSA-N 2 1 395.330 3.858 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000785504820 876078345 /nfs/dbraw/zinc/07/83/45/876078345.db2.gz XWFKAZGOJZBBPA-WBVHZDCISA-N 2 1 391.357 3.573 20 0 GHADMP CSc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000450229735 876125802 /nfs/dbraw/zinc/12/58/02/876125802.db2.gz XSOBENGUKKRDPX-SFTDATJTSA-N 2 1 389.609 3.818 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000031541268 876262920 /nfs/dbraw/zinc/26/29/20/876262920.db2.gz ATUXIQDINAOWKT-HSZRJFAPSA-N 2 1 379.548 3.923 20 0 GHADMP CC(C)Oc1ccc2[nH+]ccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2c1 ZINC000450409557 876371409 /nfs/dbraw/zinc/37/14/09/876371409.db2.gz XQTQZKJZBJQCDX-YOFSQIOKSA-N 2 1 394.563 3.769 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492296864 876594916 /nfs/dbraw/zinc/59/49/16/876594916.db2.gz ZXIGZFBAVLFJBA-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492296864 876594921 /nfs/dbraw/zinc/59/49/21/876594921.db2.gz ZXIGZFBAVLFJBA-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C3CC[NH+](CC4CC4)CC3)cccc2C1 ZINC000850036910 876620486 /nfs/dbraw/zinc/62/04/86/876620486.db2.gz VDAACMSVULMFAS-UHFFFAOYSA-N 2 1 399.579 3.944 20 0 GHADMP Cc1nc(COc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000192924720 883048457 /nfs/dbraw/zinc/04/84/57/883048457.db2.gz SUIDMHHIVUQRFX-NRFANRHFSA-N 2 1 392.503 3.569 20 0 GHADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192929216 883050843 /nfs/dbraw/zinc/05/08/43/883050843.db2.gz OQHZUZWRDUCBLV-QGZVFWFLSA-N 2 1 382.458 3.967 20 0 GHADMP c1sc(Nc2ccccc2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949501 876738414 /nfs/dbraw/zinc/73/84/14/876738414.db2.gz RNUKAHGZPXYSHN-UHFFFAOYSA-N 2 1 386.565 3.964 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000850421280 876903369 /nfs/dbraw/zinc/90/33/69/876903369.db2.gz SOUKQJOMQOHCJD-LIVBEALHSA-N 2 1 378.438 3.780 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000850440937 876924608 /nfs/dbraw/zinc/92/46/08/876924608.db2.gz JGJVLERCBPZQEZ-DXHCPDEFSA-N 2 1 387.568 3.790 20 0 GHADMP COC[C@@H](CC1CCOCC1)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000850456837 876940420 /nfs/dbraw/zinc/94/04/20/876940420.db2.gz IULAPSLJJNWNQS-JOCHJYFZSA-N 2 1 389.584 3.708 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792025 876943064 /nfs/dbraw/zinc/94/30/64/876943064.db2.gz GJGNLKMOEXBFIW-SFHVURJKSA-N 2 1 380.536 3.907 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc4c(cc3Cl)CCC4)CC2)CC1 ZINC000530021038 877014867 /nfs/dbraw/zinc/01/48/67/877014867.db2.gz JFRAZWYBODSXSH-UHFFFAOYSA-N 2 1 389.971 3.964 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850580463 877052671 /nfs/dbraw/zinc/05/26/71/877052671.db2.gz NENAKVHIGJAPMW-NBQZKYEYSA-N 2 1 378.438 3.638 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000551029739 883095796 /nfs/dbraw/zinc/09/57/96/883095796.db2.gz QKQGJXWTFJTHTR-ZYKOEDHHSA-N 2 1 379.548 3.947 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)c1 ZINC000551029739 883095810 /nfs/dbraw/zinc/09/58/10/883095810.db2.gz QKQGJXWTFJTHTR-ZYKOEDHHSA-N 2 1 379.548 3.947 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)s1 ZINC000517103332 877209851 /nfs/dbraw/zinc/20/98/51/877209851.db2.gz YNFMDGOTIFPMIL-FSSWDIPSSA-N 2 1 399.604 3.855 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)s1 ZINC000517103332 877209859 /nfs/dbraw/zinc/20/98/59/877209859.db2.gz YNFMDGOTIFPMIL-FSSWDIPSSA-N 2 1 399.604 3.855 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C[NH+](CC)CC)CC2)C1 ZINC000477246598 877280027 /nfs/dbraw/zinc/28/00/27/877280027.db2.gz DOLSNPIAJHNLCZ-LJQANCHMSA-N 2 1 380.621 3.650 20 0 GHADMP CCc1ccc([C@H](CC(C)C)[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000530223475 877309018 /nfs/dbraw/zinc/30/90/18/877309018.db2.gz KEDLNTIPZHNNII-ZLNRFVROSA-N 2 1 398.595 3.556 20 0 GHADMP CCc1ccc([C@H](CC(C)C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000530223471 877309456 /nfs/dbraw/zinc/30/94/56/877309456.db2.gz KEDLNTIPZHNNII-VJBWXMMDSA-N 2 1 398.595 3.556 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000175099198 877466409 /nfs/dbraw/zinc/46/64/09/877466409.db2.gz XCQDHZXOKZRSJQ-QGZVFWFLSA-N 2 1 392.588 3.593 20 0 GHADMP COc1ccccc1NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551589052 877478798 /nfs/dbraw/zinc/47/87/98/877478798.db2.gz IWTUIFRAYKFHRK-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP COc1ccccc1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551589052 877478804 /nfs/dbraw/zinc/47/88/04/877478804.db2.gz IWTUIFRAYKFHRK-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000642638111 912239325 /nfs/dbraw/zinc/23/93/25/912239325.db2.gz GIDIZPDMSBVTMT-PKTZIBPZSA-N 2 1 394.563 3.643 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551583670 877498596 /nfs/dbraw/zinc/49/85/96/877498596.db2.gz QWIKGGCFTMYRRB-UHFFFAOYSA-N 2 1 383.446 3.566 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000137479321 877550861 /nfs/dbraw/zinc/55/08/61/877550861.db2.gz AABQHHAFJFOQLN-MJGOQNOKSA-N 2 1 391.515 3.887 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000237570307 877589624 /nfs/dbraw/zinc/58/96/24/877589624.db2.gz YVGUDVXFHXJDMX-CQSZACIVSA-N 2 1 389.906 3.963 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175353055 877640324 /nfs/dbraw/zinc/64/03/24/877640324.db2.gz GJPIYAVLJDRTMS-PXNSSMCTSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066415 912258839 /nfs/dbraw/zinc/25/88/39/912258839.db2.gz ZCDUDIFICZOVBA-OALUTQOASA-N 2 1 397.604 3.503 20 0 GHADMP COc1cccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)oc21 ZINC000067976631 877725163 /nfs/dbraw/zinc/72/51/63/877725163.db2.gz YFFDWYWDMHRUGH-QGZVFWFLSA-N 2 1 380.488 3.952 20 0 GHADMP COc1cccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)oc21 ZINC000067976631 877725173 /nfs/dbraw/zinc/72/51/73/877725173.db2.gz YFFDWYWDMHRUGH-QGZVFWFLSA-N 2 1 380.488 3.952 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000615583161 877900449 /nfs/dbraw/zinc/90/04/49/877900449.db2.gz MQRDAHYOCPFBTM-WOJBJXKFSA-N 2 1 386.584 3.957 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000615621995 877931067 /nfs/dbraw/zinc/93/10/67/877931067.db2.gz SPGJMMYDQCYMCZ-JOCHJYFZSA-N 2 1 388.600 3.831 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000551971820 878075696 /nfs/dbraw/zinc/07/56/96/878075696.db2.gz WVNYBZGXPQQYOY-ZHFOUCBBSA-N 2 1 399.604 3.876 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176140353 878100282 /nfs/dbraw/zinc/10/02/82/878100282.db2.gz CXVYALIQBKCIGE-JOCHJYFZSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176140353 878100294 /nfs/dbraw/zinc/10/02/94/878100294.db2.gz CXVYALIQBKCIGE-JOCHJYFZSA-N 2 1 387.543 3.561 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085348 878100328 /nfs/dbraw/zinc/10/03/28/878100328.db2.gz HOAFAWIWNXOQCH-SFHLNBCPSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085348 878100335 /nfs/dbraw/zinc/10/03/35/878100335.db2.gz HOAFAWIWNXOQCH-SFHLNBCPSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085348 878100353 /nfs/dbraw/zinc/10/03/53/878100353.db2.gz HOAFAWIWNXOQCH-SFHLNBCPSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537844350 878379559 /nfs/dbraw/zinc/37/95/59/878379559.db2.gz BHTMSMPDYDGQPS-QHCPKHFHSA-N 2 1 397.563 3.677 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1)CC1CC1 ZINC000537848645 878389084 /nfs/dbraw/zinc/38/90/84/878389084.db2.gz MJAHBBWSBQDKMO-KRWDZBQOSA-N 2 1 382.552 3.968 20 0 GHADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245728444 878489557 /nfs/dbraw/zinc/48/95/57/878489557.db2.gz PWJSMYTZQMRGEQ-CWBXHPNXSA-N 2 1 389.543 3.857 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000530847570 878606112 /nfs/dbraw/zinc/60/61/12/878606112.db2.gz OGKQMQGDAORMMN-HXUWFJFHSA-N 2 1 377.960 3.856 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000537976682 878612369 /nfs/dbraw/zinc/61/23/69/878612369.db2.gz GGMDLWRYIUXGDS-OFNKIYASSA-N 2 1 391.559 3.856 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000537976682 878612374 /nfs/dbraw/zinc/61/23/74/878612374.db2.gz GGMDLWRYIUXGDS-OFNKIYASSA-N 2 1 391.559 3.856 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000537976683 878612593 /nfs/dbraw/zinc/61/25/93/878612593.db2.gz GGMDLWRYIUXGDS-REWPJTCUSA-N 2 1 391.559 3.856 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000537976683 878612597 /nfs/dbraw/zinc/61/25/97/878612597.db2.gz GGMDLWRYIUXGDS-REWPJTCUSA-N 2 1 391.559 3.856 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000537987754 878629206 /nfs/dbraw/zinc/62/92/06/878629206.db2.gz QLMAEFMPAWVUIT-KCDSLRJUSA-N 2 1 395.591 3.776 20 0 GHADMP CCOC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000152468042 878640261 /nfs/dbraw/zinc/64/02/61/878640261.db2.gz FLBZADUIBXGQLD-UHFFFAOYSA-N 2 1 385.508 3.622 20 0 GHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000537969776 878641345 /nfs/dbraw/zinc/64/13/45/878641345.db2.gz QIKQVCRWRHLXDK-OKZBNKHCSA-N 2 1 395.975 3.845 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(C[NH+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451911045 878684133 /nfs/dbraw/zinc/68/41/33/878684133.db2.gz OYLLCGWMPKJXPS-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(C[NH+]2CCC[C@]3(CCOC3)C2)c1 ZINC000451911045 878684139 /nfs/dbraw/zinc/68/41/39/878684139.db2.gz OYLLCGWMPKJXPS-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(C[NH+]2CCC[C@]3(CCOC3)C2)c1 ZINC000451911045 878684158 /nfs/dbraw/zinc/68/41/58/878684158.db2.gz OYLLCGWMPKJXPS-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1)CC(C)C ZINC000537999304 878691990 /nfs/dbraw/zinc/69/19/90/878691990.db2.gz YTYAKJKNJIZROF-UHFFFAOYSA-N 2 1 385.596 3.651 20 0 GHADMP COc1ccc([C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000538060948 878782710 /nfs/dbraw/zinc/78/27/10/878782710.db2.gz VMWLXIPLGZCXEN-IRLDBZIGSA-N 2 1 385.577 3.786 20 0 GHADMP Cc1cc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c(C)s1 ZINC000530928180 878794962 /nfs/dbraw/zinc/79/49/62/878794962.db2.gz KLQVMUZBLAMFIE-UHFFFAOYSA-N 2 1 399.604 3.825 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538098290 878836350 /nfs/dbraw/zinc/83/63/50/878836350.db2.gz FKNLCNKJVUPOGQ-MAUKXSAKSA-N 2 1 384.351 3.622 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000649329997 879028199 /nfs/dbraw/zinc/02/81/99/879028199.db2.gz NXENOOWDQHPQJX-SIKLNZKXSA-N 2 1 379.548 3.574 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000246130316 879029000 /nfs/dbraw/zinc/02/90/00/879029000.db2.gz MJBGBLLXIKTYSI-YADHBBJMSA-N 2 1 392.632 3.652 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000531117249 879204096 /nfs/dbraw/zinc/20/40/96/879204096.db2.gz RAWAIUGEUSAONN-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000531117249 879204106 /nfs/dbraw/zinc/20/41/06/879204106.db2.gz RAWAIUGEUSAONN-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789770991 879252714 /nfs/dbraw/zinc/25/27/14/879252714.db2.gz ZIXAXZIJBZCWCL-UHFFFAOYSA-N 2 1 376.545 3.702 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000776693662 879320414 /nfs/dbraw/zinc/32/04/14/879320414.db2.gz KUBGMBZRYKNMFX-KNQAVFIVSA-N 2 1 387.568 3.744 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000776693662 879320430 /nfs/dbraw/zinc/32/04/30/879320430.db2.gz KUBGMBZRYKNMFX-KNQAVFIVSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000246288103 879350927 /nfs/dbraw/zinc/35/09/27/879350927.db2.gz CWUZMEBWILVMIX-QHAWAJNXSA-N 2 1 383.580 3.546 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000246288103 879350946 /nfs/dbraw/zinc/35/09/46/879350946.db2.gz CWUZMEBWILVMIX-QHAWAJNXSA-N 2 1 383.580 3.546 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000246288103 879350965 /nfs/dbraw/zinc/35/09/65/879350965.db2.gz CWUZMEBWILVMIX-QHAWAJNXSA-N 2 1 383.580 3.546 20 0 GHADMP CCC[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000538373881 879373222 /nfs/dbraw/zinc/37/32/22/879373222.db2.gz DQWWKGOHVZQVSN-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP CCC[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000538373881 879373242 /nfs/dbraw/zinc/37/32/42/879373242.db2.gz DQWWKGOHVZQVSN-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP CCC[C@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000538373881 879373253 /nfs/dbraw/zinc/37/32/53/879373253.db2.gz DQWWKGOHVZQVSN-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)CC[C@H]21 ZINC000246579289 879699066 /nfs/dbraw/zinc/69/90/66/879699066.db2.gz CEVARPCYZWCQBL-DHIUTWEWSA-N 2 1 398.595 3.688 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2)CC1 ZINC000493957799 879773967 /nfs/dbraw/zinc/77/39/67/879773967.db2.gz JGWPSAISNLAHFL-UNMCSNQZSA-N 2 1 384.568 3.519 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000246799700 879807154 /nfs/dbraw/zinc/80/71/54/879807154.db2.gz AXUUNRLZJSVTAV-AABGKKOBSA-N 2 1 386.584 3.632 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246823263 879816891 /nfs/dbraw/zinc/81/68/91/879816891.db2.gz NUZSFZAKEHMJLG-RRPUWOKSSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246823263 879816902 /nfs/dbraw/zinc/81/69/02/879816902.db2.gz NUZSFZAKEHMJLG-RRPUWOKSSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246823263 879816911 /nfs/dbraw/zinc/81/69/11/879816911.db2.gz NUZSFZAKEHMJLG-RRPUWOKSSA-N 2 1 380.532 3.528 20 0 GHADMP C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247059937 879904895 /nfs/dbraw/zinc/90/48/95/879904895.db2.gz ZRFUZNJENHLAMG-YVHKJVDXSA-N 2 1 378.520 3.511 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000247423220 879995279 /nfs/dbraw/zinc/99/52/79/879995279.db2.gz VDSDIFWFKZAAMG-FGZHOGPDSA-N 2 1 392.632 3.939 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000123159209 880023201 /nfs/dbraw/zinc/02/32/01/880023201.db2.gz XDQLXUPEBVNLDG-WIYYLYMNSA-N 2 1 395.551 3.902 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000182862058 880032179 /nfs/dbraw/zinc/03/21/79/880032179.db2.gz JWYIZLRCAILTPF-PKTZIBPZSA-N 2 1 398.595 3.688 20 0 GHADMP Cc1noc2ncc(C[NH+](C)Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc12 ZINC001183490210 912547612 /nfs/dbraw/zinc/54/76/12/912547612.db2.gz DSMVABWJTNVTRX-CALCHBBNSA-N 2 1 394.519 3.772 20 0 GHADMP Cc1noc2ncc(C[N@@H+](C)Cc3ccc(C[NH+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc12 ZINC001183490210 912547636 /nfs/dbraw/zinc/54/76/36/912547636.db2.gz DSMVABWJTNVTRX-CALCHBBNSA-N 2 1 394.519 3.772 20 0 GHADMP Cc1noc2ncc(C[N@H+](C)Cc3ccc(C[NH+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc12 ZINC001183490210 912547639 /nfs/dbraw/zinc/54/76/39/912547639.db2.gz DSMVABWJTNVTRX-CALCHBBNSA-N 2 1 394.519 3.772 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)N2CCOCC2)o1 ZINC000531690316 880293747 /nfs/dbraw/zinc/29/37/47/880293747.db2.gz YRWAZTBAVXWWIX-QIJUGHKUSA-N 2 1 389.584 3.594 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CCC2 ZINC000531677623 880305515 /nfs/dbraw/zinc/30/55/15/880305515.db2.gz ODAIWXQWXYNNAO-LEWJYISDSA-N 2 1 385.577 3.712 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CCC2 ZINC000531677626 880307017 /nfs/dbraw/zinc/30/70/17/880307017.db2.gz ODAIWXQWXYNNAO-SFTDATJTSA-N 2 1 385.577 3.712 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CN(Cc4ccccc4)C[C@@H]3C)CCCC2)CC1 ZINC000531720304 880376972 /nfs/dbraw/zinc/37/69/72/880376972.db2.gz KROCLACGNQGYLU-REWPJTCUSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2sccc21 ZINC000453054458 880403278 /nfs/dbraw/zinc/40/32/78/880403278.db2.gz BZZRGCGRJSCGNN-OXQOHEQNSA-N 2 1 383.561 3.864 20 0 GHADMP c1cnn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453083209 880439243 /nfs/dbraw/zinc/43/92/43/880439243.db2.gz MYXUYDPNUUGZPH-XPWALMASSA-N 2 1 387.531 3.800 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791471413 880463186 /nfs/dbraw/zinc/46/31/86/880463186.db2.gz NDKWFWKDOQWFOG-HXUWFJFHSA-N 2 1 392.609 3.578 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791471413 880463191 /nfs/dbraw/zinc/46/31/91/880463191.db2.gz NDKWFWKDOQWFOG-HXUWFJFHSA-N 2 1 392.609 3.578 20 0 GHADMP c1ncn(-c2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)c2)n1 ZINC000453114249 880485111 /nfs/dbraw/zinc/48/51/11/880485111.db2.gz SWJGAQALVQYYCF-HJOGWXRNSA-N 2 1 387.531 3.800 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3ccccc3)cc2)CC1 ZINC000010340436 880561243 /nfs/dbraw/zinc/56/12/43/880561243.db2.gz AVORPZJFQXZDEV-QHCPKHFHSA-N 2 1 392.547 3.604 20 0 GHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc2n1CCS2 ZINC000453207818 880618974 /nfs/dbraw/zinc/61/89/74/880618974.db2.gz ZWHIRECDTZUCRF-HKBOAZHASA-N 2 1 382.577 3.564 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000531932615 880785193 /nfs/dbraw/zinc/78/51/93/880785193.db2.gz YGZVBGPDVWEEOM-QAPCUYQASA-N 2 1 395.519 3.989 20 0 GHADMP Cc1cc(C)c(N2CC[C@H](N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030533 912624760 /nfs/dbraw/zinc/62/47/60/912624760.db2.gz FFLRGAAPXDYMAO-HJNYFJLDSA-N 2 1 381.564 3.666 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000856169275 881004050 /nfs/dbraw/zinc/00/40/50/881004050.db2.gz GVJMOCXCOJUHIK-QFIPXVFZSA-N 2 1 383.580 3.671 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186878189 881011803 /nfs/dbraw/zinc/01/18/03/881011803.db2.gz GISIFJVDCOHKFM-YNJKOYDBSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000186878189 881011822 /nfs/dbraw/zinc/01/18/22/881011822.db2.gz GISIFJVDCOHKFM-YNJKOYDBSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186878189 881011839 /nfs/dbraw/zinc/01/18/39/881011839.db2.gz GISIFJVDCOHKFM-YNJKOYDBSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186878189 881011857 /nfs/dbraw/zinc/01/18/57/881011857.db2.gz GISIFJVDCOHKFM-YNJKOYDBSA-N 2 1 392.591 3.792 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000187020268 881051987 /nfs/dbraw/zinc/05/19/87/881051987.db2.gz YTNLWUPPAVUQON-JPYJTQIMSA-N 2 1 384.568 3.716 20 0 GHADMP Fc1ccc(COc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)c2)cc1 ZINC000119893541 881204176 /nfs/dbraw/zinc/20/41/76/881204176.db2.gz NFAMVLQJFXCMFV-NRFANRHFSA-N 2 1 398.522 3.995 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(C)oc4ccccc43)CC2)CC1 ZINC000119993857 881249487 /nfs/dbraw/zinc/24/94/87/881249487.db2.gz ONVPCBHJOKJBHQ-UHFFFAOYSA-N 2 1 383.536 3.507 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000499139748 881257260 /nfs/dbraw/zinc/25/72/60/881257260.db2.gz DDZXSWIBGGUIOM-NDBXHCKUSA-N 2 1 399.623 3.909 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170271377 881286761 /nfs/dbraw/zinc/28/67/61/881286761.db2.gz BSCJOZZRSNFTFT-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170271377 881286779 /nfs/dbraw/zinc/28/67/79/881286779.db2.gz BSCJOZZRSNFTFT-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170271377 881286796 /nfs/dbraw/zinc/28/67/96/881286796.db2.gz BSCJOZZRSNFTFT-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499147442 881293318 /nfs/dbraw/zinc/29/33/18/881293318.db2.gz OLRAGVHKUQZEPN-WBDAEOGXSA-N 2 1 380.532 3.997 20 0 GHADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499147442 881293350 /nfs/dbraw/zinc/29/33/50/881293350.db2.gz OLRAGVHKUQZEPN-WBDAEOGXSA-N 2 1 380.532 3.997 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)[C@@H](C)C1 ZINC000858500534 883154492 /nfs/dbraw/zinc/15/44/92/883154492.db2.gz IJUPCZSHRQSMFD-NMLBUPMWSA-N 2 1 397.604 3.501 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000135262788 883275996 /nfs/dbraw/zinc/27/59/96/883275996.db2.gz WYECTCZGEWWKQC-ABSDTBQOSA-N 2 1 376.516 3.909 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729599657 883371880 /nfs/dbraw/zinc/37/18/80/883371880.db2.gz JTQASYGLFIXBOO-KDURUIRLSA-N 2 1 388.600 3.646 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000537696416 883397444 /nfs/dbraw/zinc/39/74/44/883397444.db2.gz GIIXEGKZXYCKDX-FSSWDIPSSA-N 2 1 396.579 3.853 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000537696416 883397464 /nfs/dbraw/zinc/39/74/64/883397464.db2.gz GIIXEGKZXYCKDX-FSSWDIPSSA-N 2 1 396.579 3.853 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001168158002 883410620 /nfs/dbraw/zinc/41/06/20/883410620.db2.gz BNBBWWQGBPFEAR-SYYKKAFVSA-N 2 1 389.559 3.617 20 0 GHADMP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643465020 912712743 /nfs/dbraw/zinc/71/27/43/912712743.db2.gz DFCKXIODTYMVOW-XKDCRVNJSA-N 2 1 376.504 3.963 20 0 GHADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476983346 883500969 /nfs/dbraw/zinc/50/09/69/883500969.db2.gz KZBWDIALKRDAQI-OALUTQOASA-N 2 1 389.559 3.807 20 0 GHADMP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476971150 883504237 /nfs/dbraw/zinc/50/42/37/883504237.db2.gz JLNMKEBKDXSHNZ-SFTDATJTSA-N 2 1 385.596 3.710 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000648452070 883523031 /nfs/dbraw/zinc/52/30/31/883523031.db2.gz DQLFPDGMLMAFQE-RDTXWAMCSA-N 2 1 397.332 3.809 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000476991012 883527186 /nfs/dbraw/zinc/52/71/86/883527186.db2.gz YCWKJSZKIXTCNS-AZUAARDMSA-N 2 1 378.532 3.542 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141623 883614782 /nfs/dbraw/zinc/61/47/82/883614782.db2.gz JRUUKTLHRVQXNZ-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141623 883614786 /nfs/dbraw/zinc/61/47/86/883614786.db2.gz JRUUKTLHRVQXNZ-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141623 883614789 /nfs/dbraw/zinc/61/47/89/883614789.db2.gz JRUUKTLHRVQXNZ-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182699033 883617097 /nfs/dbraw/zinc/61/70/97/883617097.db2.gz JGKUKJCJLHJVDI-PZJWPPBQSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000186463625 883647641 /nfs/dbraw/zinc/64/76/41/883647641.db2.gz RFRKKYWVEGQKMI-SPYBWZPUSA-N 2 1 397.485 3.628 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCCO2)cc1 ZINC000643548488 912733127 /nfs/dbraw/zinc/73/31/27/912733127.db2.gz QCTHMLYFZVUPTI-KSZLIROESA-N 2 1 379.342 3.934 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C2CCC2)CCC1 ZINC000455891160 883699149 /nfs/dbraw/zinc/69/91/49/883699149.db2.gz GHGXZGKEASDYBW-UHFFFAOYSA-N 2 1 375.601 3.612 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194276112 883746699 /nfs/dbraw/zinc/74/66/99/883746699.db2.gz QKBOYPZBYRECEB-KDURUIRLSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187246346 883774137 /nfs/dbraw/zinc/77/41/37/883774137.db2.gz OVGZFURCNOFENF-GOSISDBHSA-N 2 1 377.532 3.911 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187246331 883774189 /nfs/dbraw/zinc/77/41/89/883774189.db2.gz OVGZFURCNOFENF-SFHVURJKSA-N 2 1 377.532 3.911 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170483725 883880195 /nfs/dbraw/zinc/88/01/95/883880195.db2.gz IOTPNKLHYQMVOF-FCGDIQPGSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1CC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170483725 883880212 /nfs/dbraw/zinc/88/02/12/883880212.db2.gz IOTPNKLHYQMVOF-FCGDIQPGSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1CC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170483725 883880228 /nfs/dbraw/zinc/88/02/28/883880228.db2.gz IOTPNKLHYQMVOF-FCGDIQPGSA-N 2 1 379.589 3.827 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC001183758023 912766026 /nfs/dbraw/zinc/76/60/26/912766026.db2.gz RAJRHOUZLZEQGI-JLLPCOHGSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC001183758023 912766035 /nfs/dbraw/zinc/76/60/35/912766035.db2.gz RAJRHOUZLZEQGI-JLLPCOHGSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183758023 912766064 /nfs/dbraw/zinc/76/60/64/912766064.db2.gz RAJRHOUZLZEQGI-JLLPCOHGSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183758023 912766079 /nfs/dbraw/zinc/76/60/79/912766079.db2.gz RAJRHOUZLZEQGI-JLLPCOHGSA-N 2 1 389.543 3.573 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC([N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000455857597 883990744 /nfs/dbraw/zinc/99/07/44/883990744.db2.gz OUNNJXRFXWHNQN-QFIPXVFZSA-N 2 1 378.520 3.584 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556177630 884025845 /nfs/dbraw/zinc/02/58/45/884025845.db2.gz FKRAAWUZWGKPPM-HJOGWXRNSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556177630 884025861 /nfs/dbraw/zinc/02/58/61/884025861.db2.gz FKRAAWUZWGKPPM-HJOGWXRNSA-N 2 1 391.559 3.645 20 0 GHADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230021 884164882 /nfs/dbraw/zinc/16/48/82/884164882.db2.gz KXDGBZJLMLZLHW-YTFSRNRJSA-N 2 1 386.580 3.710 20 0 GHADMP CCn1c(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc2cc(F)ccc21 ZINC000116761375 884174513 /nfs/dbraw/zinc/17/45/13/884174513.db2.gz LKZJNPPWFBHQBC-IRXDYDNUSA-N 2 1 388.531 3.517 20 0 GHADMP CC(CN1CC[NH+](C)CC12CCCCC2)CN1CC[N@@H+](C)CC12CCCCC2 ZINC000494905380 884186535 /nfs/dbraw/zinc/18/65/35/884186535.db2.gz DQHAVGJOKZVNNL-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000487540897 884276529 /nfs/dbraw/zinc/27/65/29/884276529.db2.gz PGGOQDSZKDPPDW-KNQAVFIVSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC(=O)c2cccs2)CC1 ZINC000556262362 884276848 /nfs/dbraw/zinc/27/68/48/884276848.db2.gz QCUAZRPDHOEQEQ-UHFFFAOYSA-N 2 1 385.577 3.901 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000228005733 884366532 /nfs/dbraw/zinc/36/65/32/884366532.db2.gz JAISLOCNENVASQ-AGILITTLSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000228005733 884366551 /nfs/dbraw/zinc/36/65/51/884366551.db2.gz JAISLOCNENVASQ-AGILITTLSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000228005733 884366571 /nfs/dbraw/zinc/36/65/71/884366571.db2.gz JAISLOCNENVASQ-AGILITTLSA-N 2 1 391.559 3.850 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCCC2(CC2)C1 ZINC000897779068 884460761 /nfs/dbraw/zinc/46/07/61/884460761.db2.gz MWKGSIJMDLTTGJ-HXUWFJFHSA-N 2 1 390.616 3.547 20 0 GHADMP CCN(C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000460349350 884930022 /nfs/dbraw/zinc/93/00/22/884930022.db2.gz HFYITKPILODBQR-WOJBJXKFSA-N 2 1 379.548 3.786 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)c1 ZINC000498601108 885004762 /nfs/dbraw/zinc/00/47/62/885004762.db2.gz YGTSWMTUKYVXOP-UHFFFAOYSA-N 2 1 377.532 3.549 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000045191426 885105923 /nfs/dbraw/zinc/10/59/23/885105923.db2.gz HGFIKNWJFJEJTR-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1)c1ccccc1 ZINC000460384821 885199851 /nfs/dbraw/zinc/19/98/51/885199851.db2.gz HBKSUVXCEGFNBD-SIKLNZKXSA-N 2 1 397.588 3.520 20 0 GHADMP Cc1c(F)ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1F ZINC001211916211 885253706 /nfs/dbraw/zinc/25/37/06/885253706.db2.gz PEWOCLXPAOPGNG-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1c(F)ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1F ZINC001211916211 885253718 /nfs/dbraw/zinc/25/37/18/885253718.db2.gz PEWOCLXPAOPGNG-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000130875852 885272227 /nfs/dbraw/zinc/27/22/27/885272227.db2.gz PRNZMHSCZBMRCD-UEVCKROQSA-N 2 1 379.548 3.801 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000130875852 885272243 /nfs/dbraw/zinc/27/22/43/885272243.db2.gz PRNZMHSCZBMRCD-UEVCKROQSA-N 2 1 379.548 3.801 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000107327965 885342334 /nfs/dbraw/zinc/34/23/34/885342334.db2.gz AFPNTABUOFSUNP-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000130958807 885379955 /nfs/dbraw/zinc/37/99/55/885379955.db2.gz KYBPJKSNXDEUBM-QFIPXVFZSA-N 2 1 396.560 3.789 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000130958807 885379976 /nfs/dbraw/zinc/37/99/76/885379976.db2.gz KYBPJKSNXDEUBM-QFIPXVFZSA-N 2 1 396.560 3.789 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442173 885452725 /nfs/dbraw/zinc/45/27/25/885452725.db2.gz ATFQZAJRISHQTD-PMACEKPBSA-N 2 1 385.577 3.849 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000532447982 885495584 /nfs/dbraw/zinc/49/55/84/885495584.db2.gz JGRATSYTFXGUQV-KURKYZTESA-N 2 1 379.976 3.787 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000532447982 885495589 /nfs/dbraw/zinc/49/55/89/885495589.db2.gz JGRATSYTFXGUQV-KURKYZTESA-N 2 1 379.976 3.787 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000550622827 885552922 /nfs/dbraw/zinc/55/29/22/885552922.db2.gz YGZYSGFPBLBNJQ-OFNKIYASSA-N 2 1 395.522 3.855 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000550622827 885552935 /nfs/dbraw/zinc/55/29/35/885552935.db2.gz YGZYSGFPBLBNJQ-OFNKIYASSA-N 2 1 395.522 3.855 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC001275283020 912947320 /nfs/dbraw/zinc/94/73/20/912947320.db2.gz XYNDBSBUFAUBTF-FQEVSTJZSA-N 2 1 398.378 3.760 20 0 GHADMP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495421052 885753300 /nfs/dbraw/zinc/75/33/00/885753300.db2.gz NLQZSRBBHAAZIJ-ZFGGDYGUSA-N 2 1 393.575 3.624 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000495504640 885986835 /nfs/dbraw/zinc/98/68/35/885986835.db2.gz WGZKTELHCGFPSC-MOPGFXCFSA-N 2 1 397.567 3.813 20 0 GHADMP O=C1[C@@H]2CCCCC[C@H]2N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762500453 886294872 /nfs/dbraw/zinc/29/48/72/886294872.db2.gz DAPXXHOBTROUNY-FGZHOGPDSA-N 2 1 381.564 3.723 20 0 GHADMP O=C1[C@@H]2CCCCC[C@H]2N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762500453 886294893 /nfs/dbraw/zinc/29/48/93/886294893.db2.gz DAPXXHOBTROUNY-FGZHOGPDSA-N 2 1 381.564 3.723 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@H]3C[NH2+]CC[C@H]3F)c2c1C ZINC001168226870 886330020 /nfs/dbraw/zinc/33/00/20/886330020.db2.gz IYAQLCDEBLKPJJ-CVEARBPZSA-N 2 1 391.560 3.652 20 0 GHADMP CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072733220 886358626 /nfs/dbraw/zinc/35/86/26/886358626.db2.gz OTVVOFXGMXIFQN-QFIPXVFZSA-N 2 1 380.536 3.877 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762718278 886760417 /nfs/dbraw/zinc/76/04/17/886760417.db2.gz QDPPBWWKYODUJM-UHFFFAOYSA-N 2 1 383.580 3.767 20 0 GHADMP C[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000644160925 913079023 /nfs/dbraw/zinc/07/90/23/913079023.db2.gz KSZFGCMSJBKVKI-OFNKIYASSA-N 2 1 398.595 3.729 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000236901990 886893619 /nfs/dbraw/zinc/89/36/19/886893619.db2.gz HZDZODGPZGIVJB-ZFWWWQNUSA-N 2 1 384.364 3.990 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126890544 887012486 /nfs/dbraw/zinc/01/24/86/887012486.db2.gz RTBWQEWWAKJIOB-QTEQDKRBSA-N 2 1 398.620 3.855 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126890544 887012498 /nfs/dbraw/zinc/01/24/98/887012498.db2.gz RTBWQEWWAKJIOB-QTEQDKRBSA-N 2 1 398.620 3.855 20 0 GHADMP COc1cccc(C[C@H]([NH3+])c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1 ZINC000863662296 887270368 /nfs/dbraw/zinc/27/03/68/887270368.db2.gz RPLAOZWAVLOZKJ-FQEVSTJZSA-N 2 1 378.476 3.584 20 0 GHADMP C[C@@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC000763006688 887539731 /nfs/dbraw/zinc/53/97/31/887539731.db2.gz APDYGNQRRNNSSM-NRFANRHFSA-N 2 1 398.595 3.559 20 0 GHADMP Brc1c(C[NH2+]CCCCC[NH+]2CCCCC2)nc2ccccn21 ZINC000809613891 887586386 /nfs/dbraw/zinc/58/63/86/887586386.db2.gz GVKWFZCCSTZLFD-UHFFFAOYSA-N 2 1 379.346 3.843 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000359893566 887612209 /nfs/dbraw/zinc/61/22/09/887612209.db2.gz DUIRGLOARRIGBX-ZEYPLWLESA-N 2 1 377.532 3.985 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000747580441 887993435 /nfs/dbraw/zinc/99/34/35/887993435.db2.gz JHMZDYSSWQMRMQ-XUZZJYLKSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@]12CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]1C2(Cl)Cl ZINC000796062862 913216517 /nfs/dbraw/zinc/21/65/17/913216517.db2.gz SAMFXRNWTGUDED-RBUKOAKNSA-N 2 1 382.379 3.714 20 0 GHADMP C[C@@]12CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]1C2(Cl)Cl ZINC000796062862 913216548 /nfs/dbraw/zinc/21/65/48/913216548.db2.gz SAMFXRNWTGUDED-RBUKOAKNSA-N 2 1 382.379 3.714 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1 ZINC000136766211 888312718 /nfs/dbraw/zinc/31/27/18/888312718.db2.gz ZDQARSFMKSHHKK-UHFFFAOYSA-N 2 1 393.535 3.923 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865483080 888380425 /nfs/dbraw/zinc/38/04/25/888380425.db2.gz DRCDCRVMGUDRQU-UHFFFAOYSA-N 2 1 394.437 3.674 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810460642 888509242 /nfs/dbraw/zinc/50/92/42/888509242.db2.gz WMEZOCWQLVAJBU-OFNKIYASSA-N 2 1 389.559 3.570 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810460642 888509249 /nfs/dbraw/zinc/50/92/49/888509249.db2.gz WMEZOCWQLVAJBU-OFNKIYASSA-N 2 1 389.559 3.570 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810460642 888509256 /nfs/dbraw/zinc/50/92/56/888509256.db2.gz WMEZOCWQLVAJBU-OFNKIYASSA-N 2 1 389.559 3.570 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Br)nn3C)cc2)C1 ZINC000785417131 888597205 /nfs/dbraw/zinc/59/72/05/888597205.db2.gz AUBBERBKLAEGFP-HNNXBMFYSA-N 2 1 391.357 3.704 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000123353390 888839051 /nfs/dbraw/zinc/83/90/51/888839051.db2.gz BOGNINWDWWTAAT-YHYVQYDKSA-N 2 1 395.551 3.898 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000123353390 888839061 /nfs/dbraw/zinc/83/90/61/888839061.db2.gz BOGNINWDWWTAAT-YHYVQYDKSA-N 2 1 395.551 3.898 20 0 GHADMP C[N@@H+](CCCCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CC1 ZINC000454408996 888982331 /nfs/dbraw/zinc/98/23/31/888982331.db2.gz NTMBAKWATNHMIX-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1cccc(Cl)c1 ZINC000465529282 889252240 /nfs/dbraw/zinc/25/22/40/889252240.db2.gz QPQSIMGBFCOZGA-PMACEKPBSA-N 2 1 394.991 3.849 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2)n1 ZINC000532956293 889419654 /nfs/dbraw/zinc/41/96/54/889419654.db2.gz MQNIUWZAIYATFQ-OYRHEFFESA-N 2 1 396.579 3.810 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988659 889472257 /nfs/dbraw/zinc/47/22/57/889472257.db2.gz SIZZFOLRAQBDGT-RHSMWYFYSA-N 2 1 382.346 3.582 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988659 889472265 /nfs/dbraw/zinc/47/22/65/889472265.db2.gz SIZZFOLRAQBDGT-RHSMWYFYSA-N 2 1 382.346 3.582 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988659 889472271 /nfs/dbraw/zinc/47/22/71/889472271.db2.gz SIZZFOLRAQBDGT-RHSMWYFYSA-N 2 1 382.346 3.582 20 0 GHADMP C[N@H+](CCCn1c2ccccc2[nH]c1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000532989316 889473860 /nfs/dbraw/zinc/47/38/60/889473860.db2.gz KVJKLWJZZBNUGF-HXUWFJFHSA-N 2 1 378.520 3.586 20 0 GHADMP C[N@@H+](CCCn1c2ccccc2[nH]c1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000532989316 889473865 /nfs/dbraw/zinc/47/38/65/889473865.db2.gz KVJKLWJZZBNUGF-HXUWFJFHSA-N 2 1 378.520 3.586 20 0 GHADMP C[NH+](CCCn1c2ccccc2[nH]c1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000532989316 889473869 /nfs/dbraw/zinc/47/38/69/889473869.db2.gz KVJKLWJZZBNUGF-HXUWFJFHSA-N 2 1 378.520 3.586 20 0 GHADMP C[NH+](CCCn1c2ccccc2[nH]c1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000532989316 889473871 /nfs/dbraw/zinc/47/38/71/889473871.db2.gz KVJKLWJZZBNUGF-HXUWFJFHSA-N 2 1 378.520 3.586 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168515099 889507606 /nfs/dbraw/zinc/50/76/06/889507606.db2.gz QNPXSOSAOMZFSY-VGWMRTNUSA-N 2 1 393.494 3.779 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000122262920 889559478 /nfs/dbraw/zinc/55/94/78/889559478.db2.gz VAKKTPHNMHLTLN-QXAKKESOSA-N 2 1 393.597 3.996 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000122262920 889559490 /nfs/dbraw/zinc/55/94/90/889559490.db2.gz VAKKTPHNMHLTLN-QXAKKESOSA-N 2 1 393.597 3.996 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)[C@H](C)C1 ZINC000125609348 890052267 /nfs/dbraw/zinc/05/22/67/890052267.db2.gz SUZGWUNLNMYNMM-UZKOGDIHSA-N 2 1 377.548 3.521 20 0 GHADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000870989542 890597858 /nfs/dbraw/zinc/59/78/58/890597858.db2.gz KLQYAMINBCHFBO-MBSDFSHPSA-N 2 1 386.584 3.717 20 0 GHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCC2 ZINC000126711017 890660008 /nfs/dbraw/zinc/66/00/08/890660008.db2.gz VEBKRJFYOLNPHA-WZONZLPQSA-N 2 1 384.564 3.870 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC000917039462 890762375 /nfs/dbraw/zinc/76/23/75/890762375.db2.gz DVOCKTGSFVJMEH-HXUWFJFHSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC000917039462 890762382 /nfs/dbraw/zinc/76/23/82/890762382.db2.gz DVOCKTGSFVJMEH-HXUWFJFHSA-N 2 1 391.559 3.695 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000455460537 891016009 /nfs/dbraw/zinc/01/60/09/891016009.db2.gz UTGBUTNBXKLDPI-NXEWRWPSSA-N 2 1 392.975 3.647 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000455460537 891016022 /nfs/dbraw/zinc/01/60/22/891016022.db2.gz UTGBUTNBXKLDPI-NXEWRWPSSA-N 2 1 392.975 3.647 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000455460537 891016031 /nfs/dbraw/zinc/01/60/31/891016031.db2.gz UTGBUTNBXKLDPI-NXEWRWPSSA-N 2 1 392.975 3.647 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1c(F)cccc1Cl ZINC000812835384 891022050 /nfs/dbraw/zinc/02/20/50/891022050.db2.gz RGDOGXRBSHXVRW-HXUWFJFHSA-N 2 1 376.903 3.809 20 0 GHADMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871873056 891065379 /nfs/dbraw/zinc/06/53/79/891065379.db2.gz QHJFOLAUDYICNJ-NRFANRHFSA-N 2 1 398.551 3.819 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nnn1-c1ccc(F)cc1 ZINC000128173008 891462008 /nfs/dbraw/zinc/46/20/08/891462008.db2.gz AUQNXXWXWRCZHF-MRXNPFEDSA-N 2 1 394.498 3.738 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000128245944 891502084 /nfs/dbraw/zinc/50/20/84/891502084.db2.gz FXETZZKNLSMGRA-KRWDZBQOSA-N 2 1 389.975 3.512 20 0 GHADMP O[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1c(F)cccc1F ZINC000813370708 891554935 /nfs/dbraw/zinc/55/49/35/891554935.db2.gz JHJJHBYTVLQXRX-OAQYLSRUSA-N 2 1 386.486 3.986 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([NH2+][C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)CC1 ZINC001170710533 891851350 /nfs/dbraw/zinc/85/13/50/891851350.db2.gz FSEAUCBKFWVFCU-FNLKRUPLSA-N 2 1 391.600 3.875 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566238 891903996 /nfs/dbraw/zinc/90/39/96/891903996.db2.gz OAKSSEWJUBXANZ-QHCPKHFHSA-N 2 1 398.595 3.605 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261853350 892142454 /nfs/dbraw/zinc/14/24/54/892142454.db2.gz RRHQAASVDCNEEZ-IBGZPJMESA-N 2 1 391.357 3.929 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261853350 892142459 /nfs/dbraw/zinc/14/24/59/892142459.db2.gz RRHQAASVDCNEEZ-IBGZPJMESA-N 2 1 391.357 3.929 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000497702490 892235128 /nfs/dbraw/zinc/23/51/28/892235128.db2.gz HSFXPAARAIKPFW-JOCHJYFZSA-N 2 1 398.595 3.879 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)C3(C(=O)OC)CCC3)CC2)cs1 ZINC000497806944 892475673 /nfs/dbraw/zinc/47/56/73/892475673.db2.gz HYIKNWTVNMQISD-GOSISDBHSA-N 2 1 393.597 3.629 20 0 GHADMP C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709826 892815475 /nfs/dbraw/zinc/81/54/75/892815475.db2.gz JVJMUNYOHGBPIY-OFNKIYASSA-N 2 1 391.559 3.856 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000455627415 892822156 /nfs/dbraw/zinc/82/21/56/892822156.db2.gz ZWGBMPHIDHHZMI-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000455627415 892822180 /nfs/dbraw/zinc/82/21/80/892822180.db2.gz ZWGBMPHIDHHZMI-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000455627415 892822201 /nfs/dbraw/zinc/82/22/01/892822201.db2.gz ZWGBMPHIDHHZMI-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753162 892916414 /nfs/dbraw/zinc/91/64/14/892916414.db2.gz MUYLVPKQLLWABC-MYGLTJDJSA-N 2 1 390.612 3.651 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753164 892916688 /nfs/dbraw/zinc/91/66/88/892916688.db2.gz MUYLVPKQLLWABC-YUMYIRISSA-N 2 1 390.612 3.651 20 0 GHADMP O=C(NCCCCCCC[NH+]1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000747957090 892921062 /nfs/dbraw/zinc/92/10/62/892921062.db2.gz RQHRMRLWWYXETK-UHFFFAOYSA-N 2 1 378.605 3.693 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645154450 913713435 /nfs/dbraw/zinc/71/34/35/913713435.db2.gz VWQKGWLHYJLVGX-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000645154450 913713443 /nfs/dbraw/zinc/71/34/43/913713443.db2.gz VWQKGWLHYJLVGX-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000645154450 913713451 /nfs/dbraw/zinc/71/34/51/913713451.db2.gz VWQKGWLHYJLVGX-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720814 892973456 /nfs/dbraw/zinc/97/34/56/892973456.db2.gz SFOHGACZMQWOAQ-MJGOQNOKSA-N 2 1 380.511 3.755 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OCc1ccccc1 ZINC000814639822 893030531 /nfs/dbraw/zinc/03/05/31/893030531.db2.gz FZQNHZOVTHPJBM-UHFFFAOYSA-N 2 1 378.516 3.718 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OCc1ccccc1 ZINC000814639822 893030554 /nfs/dbraw/zinc/03/05/54/893030554.db2.gz FZQNHZOVTHPJBM-UHFFFAOYSA-N 2 1 378.516 3.718 20 0 GHADMP CCC[N@H+](Cc1cc(OC)cc(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533837942 893218394 /nfs/dbraw/zinc/21/83/94/893218394.db2.gz BCPUPANICUUPOW-UHFFFAOYSA-N 2 1 383.540 3.686 20 0 GHADMP CCC[N@@H+](Cc1cc(OC)cc(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000533837942 893218423 /nfs/dbraw/zinc/21/84/23/893218423.db2.gz BCPUPANICUUPOW-UHFFFAOYSA-N 2 1 383.540 3.686 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC12CCC2 ZINC000536713193 893589119 /nfs/dbraw/zinc/58/91/19/893589119.db2.gz JZGSMZHNBSGZKK-SFHVURJKSA-N 2 1 387.593 3.686 20 0 GHADMP CN(c1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1)C1CC1 ZINC000536707603 893607281 /nfs/dbraw/zinc/60/72/81/893607281.db2.gz IKGSCGCJUPVAEP-UHFFFAOYSA-N 2 1 385.581 3.875 20 0 GHADMP ClC1(Cl)C[C@@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551554 893683109 /nfs/dbraw/zinc/68/31/09/893683109.db2.gz FUSDWSDFWJMRBK-QZTJIDSGSA-N 2 1 383.363 3.699 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524974 893727085 /nfs/dbraw/zinc/72/70/85/893727085.db2.gz XGTIEUGCKXDSPZ-FPOVZHCZSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524974 893727091 /nfs/dbraw/zinc/72/70/91/893727091.db2.gz XGTIEUGCKXDSPZ-FPOVZHCZSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524974 893727097 /nfs/dbraw/zinc/72/70/97/893727097.db2.gz XGTIEUGCKXDSPZ-FPOVZHCZSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524974 893727102 /nfs/dbraw/zinc/72/71/02/893727102.db2.gz XGTIEUGCKXDSPZ-FPOVZHCZSA-N 2 1 383.580 3.503 20 0 GHADMP O=C1CCCN1CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459532041 893747850 /nfs/dbraw/zinc/74/78/50/893747850.db2.gz HRVNYRSHVIFNRI-HSZRJFAPSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000563504824 893839322 /nfs/dbraw/zinc/83/93/22/893839322.db2.gz RSAWSAJWTJSHPT-HKUYNNGSSA-N 2 1 378.520 3.712 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000563577310 893930783 /nfs/dbraw/zinc/93/07/83/893930783.db2.gz IURSRERBZCHOLB-LJQANCHMSA-N 2 1 384.520 3.801 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000563577310 893930794 /nfs/dbraw/zinc/93/07/94/893930794.db2.gz IURSRERBZCHOLB-LJQANCHMSA-N 2 1 384.520 3.801 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[C@H]1CC[N@H+](C)C1 ZINC000645318947 913823900 /nfs/dbraw/zinc/82/39/00/913823900.db2.gz YPQZJPVBYFMNNU-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[C@H]1CC[N@@H+](C)C1 ZINC000645318947 913823921 /nfs/dbraw/zinc/82/39/21/913823921.db2.gz YPQZJPVBYFMNNU-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CC[NH+](C)C1 ZINC000645318947 913823944 /nfs/dbraw/zinc/82/39/44/913823944.db2.gz YPQZJPVBYFMNNU-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CC[NH+](C)C1 ZINC000645318947 913823952 /nfs/dbraw/zinc/82/39/52/913823952.db2.gz YPQZJPVBYFMNNU-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000455838641 894053106 /nfs/dbraw/zinc/05/31/06/894053106.db2.gz BWJYSMZSGYUJKX-XXBNENTESA-N 2 1 392.547 3.879 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000459735778 894128357 /nfs/dbraw/zinc/12/83/57/894128357.db2.gz PPSIHNFUNNJMJT-LJQANCHMSA-N 2 1 375.520 3.756 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4c(OC)cccc43)cc2)CC1 ZINC000564036312 894502050 /nfs/dbraw/zinc/50/20/50/894502050.db2.gz ANUYSTAKVVVTDO-XMMPIXPASA-N 2 1 393.575 4.000 20 0 GHADMP CCC[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000537204884 894593859 /nfs/dbraw/zinc/59/38/59/894593859.db2.gz JKIMADZBGXSKNT-QHCPKHFHSA-N 2 1 385.596 3.837 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000537289210 894747698 /nfs/dbraw/zinc/74/76/98/894747698.db2.gz COTFVLHWMSPXGY-RUZDIDTESA-N 2 1 391.559 3.770 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325761 894868420 /nfs/dbraw/zinc/86/84/20/894868420.db2.gz PHCITUURMFIHNX-MAUKXSAKSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325761 894868431 /nfs/dbraw/zinc/86/84/31/894868431.db2.gz PHCITUURMFIHNX-MAUKXSAKSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325761 894868436 /nfs/dbraw/zinc/86/84/36/894868436.db2.gz PHCITUURMFIHNX-MAUKXSAKSA-N 2 1 377.326 3.641 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537406120 894923550 /nfs/dbraw/zinc/92/35/50/894923550.db2.gz BPDXLAOAVHOBAW-UXHICEINSA-N 2 1 383.502 3.959 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000325473803 895028050 /nfs/dbraw/zinc/02/80/50/895028050.db2.gz GKVOUBRBZRJAGX-JKSUJKDBSA-N 2 1 397.357 3.963 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000325473803 895028067 /nfs/dbraw/zinc/02/80/67/895028067.db2.gz GKVOUBRBZRJAGX-JKSUJKDBSA-N 2 1 397.357 3.963 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000729604895 895076159 /nfs/dbraw/zinc/07/61/59/895076159.db2.gz BEAQNQAUGMZAGN-UHFFFAOYSA-N 2 1 382.552 3.542 20 0 GHADMP [NH3+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000564948801 895320476 /nfs/dbraw/zinc/32/04/76/895320476.db2.gz MNYFWDPUSPORSA-HXUWFJFHSA-N 2 1 386.584 3.861 20 0 GHADMP C[C@]1(C(F)(F)F)CC[NH+](CC2(C[N@H+]3CC[C@](C)(C(F)(F)F)C3)COC2)C1 ZINC000880002703 895438936 /nfs/dbraw/zinc/43/89/36/895438936.db2.gz OUDRSQUXOCVBDL-KBPBESRZSA-N 2 1 388.396 3.552 20 0 GHADMP C[C@]1(C(F)(F)F)CC[NH+](CC2(C[N@@H+]3CC[C@](C)(C(F)(F)F)C3)COC2)C1 ZINC000880002703 895438950 /nfs/dbraw/zinc/43/89/50/895438950.db2.gz OUDRSQUXOCVBDL-KBPBESRZSA-N 2 1 388.396 3.552 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC001185590585 913978117 /nfs/dbraw/zinc/97/81/17/913978117.db2.gz VCJCDUKABOEGAG-UHFFFAOYSA-N 2 1 397.376 3.635 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000565599251 895750274 /nfs/dbraw/zinc/75/02/74/895750274.db2.gz UKRWLXCYOQOGHW-MXBUBSDBSA-N 2 1 393.531 3.743 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000565599251 895750292 /nfs/dbraw/zinc/75/02/92/895750292.db2.gz UKRWLXCYOQOGHW-MXBUBSDBSA-N 2 1 393.531 3.743 20 0 GHADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565712706 895829290 /nfs/dbraw/zinc/82/92/90/895829290.db2.gz ARGHXQXDGUQEDD-MJGOQNOKSA-N 2 1 397.485 3.647 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000566132590 896130456 /nfs/dbraw/zinc/13/04/56/896130456.db2.gz YRJQJZNQLIRSNM-DCEDVJGZSA-N 2 1 394.559 3.702 20 0 GHADMP O=c1[nH]c2ccccc2n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216238 896177231 /nfs/dbraw/zinc/17/72/31/896177231.db2.gz WUMNKFIYHNRGFE-IBGZPJMESA-N 2 1 376.504 3.529 20 0 GHADMP O=c1[nH]c2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216238 896177236 /nfs/dbraw/zinc/17/72/36/896177236.db2.gz WUMNKFIYHNRGFE-IBGZPJMESA-N 2 1 376.504 3.529 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)c2)CCO1 ZINC000818974786 896332041 /nfs/dbraw/zinc/33/20/41/896332041.db2.gz FKAMTVRPYCGLTE-VFNWGFHPSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)c2)CCO1 ZINC000818974786 896332055 /nfs/dbraw/zinc/33/20/55/896332055.db2.gz FKAMTVRPYCGLTE-VFNWGFHPSA-N 2 1 392.902 3.523 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000819079302 896391911 /nfs/dbraw/zinc/39/19/11/896391911.db2.gz ULWPWMLLRPTFJO-VGOFRKELSA-N 2 1 384.520 3.552 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819282958 896525780 /nfs/dbraw/zinc/52/57/80/896525780.db2.gz DWFQSKHDYZFWHN-ISKFKSNPSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333092 896575578 /nfs/dbraw/zinc/57/55/78/896575578.db2.gz GDNUAECTCZBPQW-ISKFKSNPSA-N 2 1 394.559 3.547 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000567034083 896817952 /nfs/dbraw/zinc/81/79/52/896817952.db2.gz PLDGOCFFAPYSQP-HSZRJFAPSA-N 2 1 392.591 3.938 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000567103532 896876330 /nfs/dbraw/zinc/87/63/30/896876330.db2.gz HSCLOFXYHOWQBN-JHMXWDHMSA-N 2 1 394.559 3.536 20 0 GHADMP CC(C)C[C@@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000567135380 896901718 /nfs/dbraw/zinc/90/17/18/896901718.db2.gz NQPKOENNMDVTQA-ICSRJNTNSA-N 2 1 397.567 3.784 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000567137414 896903126 /nfs/dbraw/zinc/90/31/26/896903126.db2.gz IVVPBGBMLFACDD-HZPDHXFCSA-N 2 1 378.476 3.867 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000796283656 914133442 /nfs/dbraw/zinc/13/34/42/914133442.db2.gz UGUNXBBEUSYFIT-UHFFFAOYSA-N 2 1 393.318 3.871 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C(F)(F)F)c1 ZINC000567592596 897278392 /nfs/dbraw/zinc/27/83/92/897278392.db2.gz XJVFLMYEDBCQNW-RDTXWAMCSA-N 2 1 396.457 3.645 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001136335395 897302658 /nfs/dbraw/zinc/30/26/58/897302658.db2.gz XSSPFEVKTZAZGI-YLJYHZDGSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001136335395 897302673 /nfs/dbraw/zinc/30/26/73/897302673.db2.gz XSSPFEVKTZAZGI-YLJYHZDGSA-N 2 1 377.960 3.543 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001136397450 897639181 /nfs/dbraw/zinc/63/91/81/897639181.db2.gz FNSCVENZXZEWMS-IRLDBZIGSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001136397450 897639186 /nfs/dbraw/zinc/63/91/86/897639186.db2.gz FNSCVENZXZEWMS-IRLDBZIGSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001136397450 897639189 /nfs/dbraw/zinc/63/91/89/897639189.db2.gz FNSCVENZXZEWMS-IRLDBZIGSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001136397450 897639194 /nfs/dbraw/zinc/63/91/94/897639194.db2.gz FNSCVENZXZEWMS-IRLDBZIGSA-N 2 1 385.596 3.976 20 0 GHADMP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000568572419 897947467 /nfs/dbraw/zinc/94/74/67/897947467.db2.gz GJQNVEKLTMNDDV-TUACAJSNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000568572419 897947477 /nfs/dbraw/zinc/94/74/77/897947477.db2.gz GJQNVEKLTMNDDV-TUACAJSNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000568572419 897947482 /nfs/dbraw/zinc/94/74/82/897947482.db2.gz GJQNVEKLTMNDDV-TUACAJSNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](Cc1ccccc1)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568777758 898095270 /nfs/dbraw/zinc/09/52/70/898095270.db2.gz GWBTVVKKFOAYBP-JOCHJYFZSA-N 2 1 385.596 3.662 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC)c(SC)c3)CC2)CC1 ZINC000568999941 898266997 /nfs/dbraw/zinc/26/69/97/898266997.db2.gz GTVXWCDXTPJLJS-UHFFFAOYSA-N 2 1 391.581 3.552 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569118399 898352273 /nfs/dbraw/zinc/35/22/73/898352273.db2.gz GYCOKOSVGNOKTB-NRFANRHFSA-N 2 1 393.531 3.671 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569118399 898352287 /nfs/dbraw/zinc/35/22/87/898352287.db2.gz GYCOKOSVGNOKTB-NRFANRHFSA-N 2 1 393.531 3.671 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCC1CCOCC1)CC2 ZINC001202637973 898767108 /nfs/dbraw/zinc/76/71/08/898767108.db2.gz RTXUJCLWGDJTFJ-IBGZPJMESA-N 2 1 378.582 3.620 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569664964 898863506 /nfs/dbraw/zinc/86/35/06/898863506.db2.gz WVAHOXNKAVBGSV-JOCHJYFZSA-N 2 1 397.567 3.573 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000569664964 898863520 /nfs/dbraw/zinc/86/35/20/898863520.db2.gz WVAHOXNKAVBGSV-JOCHJYFZSA-N 2 1 397.567 3.573 20 0 GHADMP C[N@H+](C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823436558 899027684 /nfs/dbraw/zinc/02/76/84/899027684.db2.gz ACPRZEWZLUMPJS-RDPSFJRHSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@@H+](C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823436558 899027698 /nfs/dbraw/zinc/02/76/98/899027698.db2.gz ACPRZEWZLUMPJS-RDPSFJRHSA-N 2 1 399.579 3.840 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000570077209 899107762 /nfs/dbraw/zinc/10/77/62/899107762.db2.gz YNVHLHUYELAOPO-ZDUSSCGKSA-N 2 1 383.414 3.613 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728887 914317859 /nfs/dbraw/zinc/31/78/59/914317859.db2.gz PQXJJYRYCSQCIY-XMMPIXPASA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728887 914317870 /nfs/dbraw/zinc/31/78/70/914317870.db2.gz PQXJJYRYCSQCIY-XMMPIXPASA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728887 914317880 /nfs/dbraw/zinc/31/78/80/914317880.db2.gz PQXJJYRYCSQCIY-XMMPIXPASA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728887 914317897 /nfs/dbraw/zinc/31/78/97/914317897.db2.gz PQXJJYRYCSQCIY-XMMPIXPASA-N 2 1 387.531 3.580 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000570165729 899169436 /nfs/dbraw/zinc/16/94/36/899169436.db2.gz AGEIQBWVODSHSP-AUSIDOKSSA-N 2 1 391.559 3.622 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000570543023 899374296 /nfs/dbraw/zinc/37/42/96/899374296.db2.gz UXGQYGDDCQMPGU-WMZHIEFXSA-N 2 1 379.548 3.921 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)CC1 ZINC000824073286 899380674 /nfs/dbraw/zinc/38/06/74/899380674.db2.gz HRICOOVYYPWBCF-LEWJYISDSA-N 2 1 385.552 3.979 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000570590091 899413594 /nfs/dbraw/zinc/41/35/94/899413594.db2.gz KBAPABZXYQUKOO-YTFSRNRJSA-N 2 1 383.580 3.573 20 0 GHADMP [NH3+][C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000884228307 899436034 /nfs/dbraw/zinc/43/60/34/899436034.db2.gz NHXBNXJOAZKHEF-JMLCCBQJSA-N 2 1 383.458 3.619 20 0 GHADMP C[NH+]1CCC2(CCN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)CC1 ZINC000646246860 914351499 /nfs/dbraw/zinc/35/14/99/914351499.db2.gz YEMQYYWEWADBJN-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP c1cc2c(s1)CCN(CC[NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000570843257 899632713 /nfs/dbraw/zinc/63/27/13/899632713.db2.gz ZPCADTPAUMCDTI-NRFANRHFSA-N 2 1 381.589 3.893 20 0 GHADMP c1cc2c(s1)CCN(CC[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000570843257 899632716 /nfs/dbraw/zinc/63/27/16/899632716.db2.gz ZPCADTPAUMCDTI-NRFANRHFSA-N 2 1 381.589 3.893 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000571109633 899742887 /nfs/dbraw/zinc/74/28/87/899742887.db2.gz JYPZNGZPQBDRJP-DUXKGJEZSA-N 2 1 378.582 3.506 20 0 GHADMP CC[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000824666439 899752583 /nfs/dbraw/zinc/75/25/83/899752583.db2.gz LRSKOPJDIFKZAJ-YSIASYRMSA-N 2 1 375.557 3.790 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000571327355 899830885 /nfs/dbraw/zinc/83/08/85/899830885.db2.gz VUWGCNAUGXLYKD-ZIAGYGMSSA-N 2 1 389.284 3.872 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295043 914385821 /nfs/dbraw/zinc/38/58/21/914385821.db2.gz KPJLFNBRCZTMQU-QSFXBCCZSA-N 2 1 381.923 3.651 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295043 914385835 /nfs/dbraw/zinc/38/58/35/914385835.db2.gz KPJLFNBRCZTMQU-QSFXBCCZSA-N 2 1 381.923 3.651 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000646301687 914392223 /nfs/dbraw/zinc/39/22/23/914392223.db2.gz CWIWMSTZLUEANO-SFHVURJKSA-N 2 1 397.519 3.530 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc(OC)c(C)c2)CC3)c1 ZINC001137003389 900024670 /nfs/dbraw/zinc/02/46/70/900024670.db2.gz OACQATHVFDVPCB-UHFFFAOYSA-N 2 1 395.547 3.895 20 0 GHADMP CCC1CCC(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000825192737 900039037 /nfs/dbraw/zinc/03/90/37/900039037.db2.gz HUOBWUGKSUTHMC-UHFFFAOYSA-N 2 1 382.556 3.637 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000646362049 914441469 /nfs/dbraw/zinc/44/14/69/914441469.db2.gz LMYQCBYHRFUXQH-DEOSSOPVSA-N 2 1 377.532 3.534 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171109004 900560607 /nfs/dbraw/zinc/56/06/07/900560607.db2.gz JUBKKUOUIOMWQQ-MZYLBHOOSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171109004 900560616 /nfs/dbraw/zinc/56/06/16/900560616.db2.gz JUBKKUOUIOMWQQ-MZYLBHOOSA-N 2 1 384.951 3.670 20 0 GHADMP CC[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000573650149 900589057 /nfs/dbraw/zinc/58/90/57/900589057.db2.gz AUBZOSFAVBQSMU-LEWJYISDSA-N 2 1 381.520 3.921 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885998833 900670980 /nfs/dbraw/zinc/67/09/80/900670980.db2.gz BWKJACSFGQFOLI-OAQYLSRUSA-N 2 1 384.520 3.729 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)C[C@@H]1C[C@]12CCOC2 ZINC000886098006 900721046 /nfs/dbraw/zinc/72/10/46/900721046.db2.gz HYLVWRUMSFAJBW-ZJZGAYNASA-N 2 1 390.612 3.654 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCCCC1 ZINC001143965043 900826869 /nfs/dbraw/zinc/82/68/69/900826869.db2.gz NFYWENLOYMVAAL-FQEVSTJZSA-N 2 1 389.559 3.761 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000574293909 900843788 /nfs/dbraw/zinc/84/37/88/900843788.db2.gz BYKQXTGFHTZNKD-UHFFFAOYSA-N 2 1 386.462 3.748 20 0 GHADMP C[C@@H](CO)[NH+](Cc1ccccc1C[N@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000574348141 900854302 /nfs/dbraw/zinc/85/43/02/900854302.db2.gz RQYCTWJFEYBFRJ-PMACEKPBSA-N 2 1 388.596 3.937 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)nc(N2CCCC2)n1 ZINC000886614432 901190579 /nfs/dbraw/zinc/19/05/79/901190579.db2.gz WUCUFYPXODBRBS-XJUOHMSHSA-N 2 1 391.563 3.528 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc(N2CCCC2)n1 ZINC000886614432 901190584 /nfs/dbraw/zinc/19/05/84/901190584.db2.gz WUCUFYPXODBRBS-XJUOHMSHSA-N 2 1 391.563 3.528 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886641909 901202303 /nfs/dbraw/zinc/20/23/03/901202303.db2.gz VJMXVBDYRRSJAW-ZDXQCDESSA-N 2 1 377.532 3.812 20 0 GHADMP Cc1[nH]c(C2CC[NH+](CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)[nH+]c1C ZINC000886668416 901216866 /nfs/dbraw/zinc/21/68/66/901216866.db2.gz SJGZMIOPTFPXTL-OAQYLSRUSA-N 2 1 380.536 3.790 20 0 GHADMP C[C@H](CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000575399269 901224491 /nfs/dbraw/zinc/22/44/91/901224491.db2.gz YSCVSLWWLQDIRD-ZVGUJKQYSA-N 2 1 395.950 3.614 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886709507 901239536 /nfs/dbraw/zinc/23/95/36/901239536.db2.gz SCZISFVMPMWPEI-PUHATCMVSA-N 2 1 386.580 3.853 20 0 GHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Br)c(Br)c1 ZINC001144212357 901264142 /nfs/dbraw/zinc/26/41/42/901264142.db2.gz WEKKQOYJFCSMHA-UHFFFAOYSA-N 2 1 378.152 3.985 20 0 GHADMP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)O2 ZINC000886772008 901265215 /nfs/dbraw/zinc/26/52/15/901265215.db2.gz RGQWXTIUAWROHX-KWUXCAOWSA-N 2 1 384.564 3.744 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@H]([C@H]3CCCO3)C2)C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886816697 901285930 /nfs/dbraw/zinc/28/59/30/901285930.db2.gz XPSYMWSKZVJRQS-KFEALIJWSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886816697 901285944 /nfs/dbraw/zinc/28/59/44/901285944.db2.gz XPSYMWSKZVJRQS-KFEALIJWSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886816697 901285960 /nfs/dbraw/zinc/28/59/60/901285960.db2.gz XPSYMWSKZVJRQS-KFEALIJWSA-N 2 1 398.591 3.772 20 0 GHADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000575805121 901320947 /nfs/dbraw/zinc/32/09/47/901320947.db2.gz HWPQZCRUWZWCKK-JXFKEZNVSA-N 2 1 387.549 3.537 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4nc(C)sc4c3)CC2)CC1 ZINC000575890963 901436213 /nfs/dbraw/zinc/43/62/13/901436213.db2.gz GJGKUXYKTASDRM-UHFFFAOYSA-N 2 1 386.565 3.740 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000576036919 901609175 /nfs/dbraw/zinc/60/91/75/901609175.db2.gz AIKULBPHIMRMMK-GOSISDBHSA-N 2 1 390.597 3.728 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000576100399 901682499 /nfs/dbraw/zinc/68/24/99/901682499.db2.gz LUSQFOGZZWGYBE-WIYYLYMNSA-N 2 1 388.577 3.790 20 0 GHADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CCC2 ZINC000576206561 901812601 /nfs/dbraw/zinc/81/26/01/901812601.db2.gz QIVQZHMHWZBZMZ-RDJZCZTQSA-N 2 1 390.622 3.723 20 0 GHADMP C[C@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000577026335 902443190 /nfs/dbraw/zinc/44/31/90/902443190.db2.gz NEELGBCKOSJWNS-YKSBVNFPSA-N 2 1 381.539 3.821 20 0 GHADMP CCOc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000263934170 902694626 /nfs/dbraw/zinc/69/46/26/902694626.db2.gz BTKGPNLWLIYHCP-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000772953671 903211549 /nfs/dbraw/zinc/21/15/49/903211549.db2.gz SMXYJRRMKPHUSE-FQEVSTJZSA-N 2 1 381.605 3.981 20 0 GHADMP Cc1cc[nH+]c(C)c1Nc1cc[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001212835039 903421477 /nfs/dbraw/zinc/42/14/77/903421477.db2.gz MBWSLTBIWYVRRI-UHFFFAOYSA-N 2 1 383.496 3.894 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC([NH3+])(Cc3ccccn3)CC1)CC2 ZINC001171301882 903744871 /nfs/dbraw/zinc/74/48/71/903744871.db2.gz RZEMFAXUTNYNNG-KRWDZBQOSA-N 2 1 385.939 3.637 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)CC1 ZINC001147413299 903785341 /nfs/dbraw/zinc/78/53/41/903785341.db2.gz KRNDRQJNTVXZRP-QHCPKHFHSA-N 2 1 385.596 3.723 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)c2)cc1 ZINC000048749215 904097840 /nfs/dbraw/zinc/09/78/40/904097840.db2.gz DUZSSTUUQUZNRO-GOSISDBHSA-N 2 1 381.520 3.769 20 0 GHADMP C[C@H](NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578970361 904267254 /nfs/dbraw/zinc/26/72/54/904267254.db2.gz RPFRKEQJFOPYGV-AMHTUMDSSA-N 2 1 394.563 3.792 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000579041162 904309401 /nfs/dbraw/zinc/30/94/01/904309401.db2.gz FQZAXNIEMKVXGG-HXUWFJFHSA-N 2 1 395.547 3.833 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000773127812 904460146 /nfs/dbraw/zinc/46/01/46/904460146.db2.gz BUPRCAIJENMANU-QMMLZNLJSA-N 2 1 387.568 3.790 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638538 904695604 /nfs/dbraw/zinc/69/56/04/904695604.db2.gz PJOYUXRPKFTVOX-YFNVTMOMSA-N 2 1 399.579 3.932 20 0 GHADMP FC(F)(F)CN1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716721289 904698254 /nfs/dbraw/zinc/69/82/54/904698254.db2.gz ZWUJMXWADYSULA-HAGHYFMRSA-N 2 1 381.486 3.513 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CCc3cc(F)c(F)c(F)c3C2)nc(C)[nH+]1 ZINC001171548236 904823223 /nfs/dbraw/zinc/82/32/23/904823223.db2.gz WZKAUBFUBUMODY-INIZCTEOSA-N 2 1 390.453 3.627 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001171746836 904972073 /nfs/dbraw/zinc/97/20/73/904972073.db2.gz SUBOELGFNHSWCE-WQDFSMHNSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171746836 904972077 /nfs/dbraw/zinc/97/20/77/904972077.db2.gz SUBOELGFNHSWCE-WQDFSMHNSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171746836 904972085 /nfs/dbraw/zinc/97/20/85/904972085.db2.gz SUBOELGFNHSWCE-WQDFSMHNSA-N 2 1 393.575 3.529 20 0 GHADMP C[C@H]1C[C@H](N2CCC([NH3+])(Cc3cccc(F)c3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171738791 905024880 /nfs/dbraw/zinc/02/48/80/905024880.db2.gz NTQKNJPGYXOUHU-CVDCTZTESA-N 2 1 381.539 3.825 20 0 GHADMP COc1ccc(CC2([NH3+])CCN([C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171740101 905026675 /nfs/dbraw/zinc/02/66/75/905026675.db2.gz SGFIIEYVPVHPEH-NZQKXSOJSA-N 2 1 393.575 3.694 20 0 GHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171876732 905080973 /nfs/dbraw/zinc/08/09/73/905080973.db2.gz BVOQTGLRWPGVEA-JOCHJYFZSA-N 2 1 395.522 3.770 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001171951760 905159024 /nfs/dbraw/zinc/15/90/24/905159024.db2.gz AQHGEFPHRCJMPT-IRDVNMAFSA-N 2 1 376.566 3.624 20 0 GHADMP CN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171964554 905172598 /nfs/dbraw/zinc/17/25/98/905172598.db2.gz LUCVVSUOMRQKJS-LJQANCHMSA-N 2 1 375.557 3.886 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969820 905216833 /nfs/dbraw/zinc/21/68/33/905216833.db2.gz XHXFBECTBLMHSK-IBGZPJMESA-N 2 1 375.557 3.934 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC[C@@]3(CCN3c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981890 905234782 /nfs/dbraw/zinc/23/47/82/905234782.db2.gz QVWVFFNEJWLAGM-XUZZJYLKSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981890 905234794 /nfs/dbraw/zinc/23/47/94/905234794.db2.gz QVWVFFNEJWLAGM-XUZZJYLKSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981890 905234806 /nfs/dbraw/zinc/23/48/06/905234806.db2.gz QVWVFFNEJWLAGM-XUZZJYLKSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985496 905244751 /nfs/dbraw/zinc/24/47/51/905244751.db2.gz XENBKEMEJRMZIQ-YADHBBJMSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985496 905244766 /nfs/dbraw/zinc/24/47/66/905244766.db2.gz XENBKEMEJRMZIQ-YADHBBJMSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985496 905244777 /nfs/dbraw/zinc/24/47/77/905244777.db2.gz XENBKEMEJRMZIQ-YADHBBJMSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985495 905245276 /nfs/dbraw/zinc/24/52/76/905245276.db2.gz XENBKEMEJRMZIQ-VXKWHMMOSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985495 905245288 /nfs/dbraw/zinc/24/52/88/905245288.db2.gz XENBKEMEJRMZIQ-VXKWHMMOSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985495 905245298 /nfs/dbraw/zinc/24/52/98/905245298.db2.gz XENBKEMEJRMZIQ-VXKWHMMOSA-N 2 1 383.580 3.764 20 0 GHADMP [NH3+]C[C@H]1COc2ccccc2N1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075276 905284395 /nfs/dbraw/zinc/28/43/95/905284395.db2.gz DOHRGUJXTZKEST-CBPXPLCBSA-N 2 1 377.532 3.798 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@]13CCC[C@H]1CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172101133 905293598 /nfs/dbraw/zinc/29/35/98/905293598.db2.gz WFDPRIAYIFAJBT-JWPKLBNJSA-N 2 1 377.573 3.629 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172085968 905300536 /nfs/dbraw/zinc/30/05/36/905300536.db2.gz WJFFYLHUSKQBJP-PIUSSYSBSA-N 2 1 377.573 3.912 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172085968 905300552 /nfs/dbraw/zinc/30/05/52/905300552.db2.gz WJFFYLHUSKQBJP-PIUSSYSBSA-N 2 1 377.573 3.912 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CC1 ZINC001172090684 905308974 /nfs/dbraw/zinc/30/89/74/905308974.db2.gz VZFNIHKBLKRQGS-BXXSPATCSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CC1 ZINC001172090684 905308991 /nfs/dbraw/zinc/30/89/91/905308991.db2.gz VZFNIHKBLKRQGS-BXXSPATCSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C1CC1 ZINC001172090684 905309008 /nfs/dbraw/zinc/30/90/08/905309008.db2.gz VZFNIHKBLKRQGS-BXXSPATCSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C1CC1 ZINC001172090684 905309018 /nfs/dbraw/zinc/30/90/18/905309018.db2.gz VZFNIHKBLKRQGS-BXXSPATCSA-N 2 1 381.564 3.563 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(I)cc1 ZINC001172104244 905351010 /nfs/dbraw/zinc/35/10/10/905351010.db2.gz DPMSWUXWQITPNU-YYQUZTFQSA-N 2 1 384.305 3.957 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(I)cc1 ZINC001172104244 905351032 /nfs/dbraw/zinc/35/10/32/905351032.db2.gz DPMSWUXWQITPNU-YYQUZTFQSA-N 2 1 384.305 3.957 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105624 905354009 /nfs/dbraw/zinc/35/40/09/905354009.db2.gz JCYFHKYEYYGBPZ-KJFMYELZSA-N 2 1 377.573 3.581 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105624 905354020 /nfs/dbraw/zinc/35/40/20/905354020.db2.gz JCYFHKYEYYGBPZ-KJFMYELZSA-N 2 1 377.573 3.581 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105624 905354031 /nfs/dbraw/zinc/35/40/31/905354031.db2.gz JCYFHKYEYYGBPZ-KJFMYELZSA-N 2 1 377.573 3.581 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COCC3CC3)CC1)C2 ZINC001172118922 905376190 /nfs/dbraw/zinc/37/61/90/905376190.db2.gz ZEMNTFSPSCXQBF-YUMYIRISSA-N 2 1 376.585 3.547 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COCC3CC3)CC1)C2 ZINC001172118922 905376205 /nfs/dbraw/zinc/37/62/05/905376205.db2.gz ZEMNTFSPSCXQBF-YUMYIRISSA-N 2 1 376.585 3.547 20 0 GHADMP Cc1ccc(N(c2ncnc3c2CC[NH2+]CC3)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172120292 905378573 /nfs/dbraw/zinc/37/85/73/905378573.db2.gz DPMQHRJFMWHHIP-AERCQKQUSA-N 2 1 391.563 3.627 20 0 GHADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172472328 905552926 /nfs/dbraw/zinc/55/29/26/905552926.db2.gz NXCFXKLVECTAAQ-MALNDZBISA-N 2 1 388.600 3.509 20 0 GHADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172472328 905552932 /nfs/dbraw/zinc/55/29/32/905552932.db2.gz NXCFXKLVECTAAQ-MALNDZBISA-N 2 1 388.600 3.509 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001172472328 905552939 /nfs/dbraw/zinc/55/29/39/905552939.db2.gz NXCFXKLVECTAAQ-MALNDZBISA-N 2 1 388.600 3.509 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001172472328 905552948 /nfs/dbraw/zinc/55/29/48/905552948.db2.gz NXCFXKLVECTAAQ-MALNDZBISA-N 2 1 388.600 3.509 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172559632 905622085 /nfs/dbraw/zinc/62/20/85/905622085.db2.gz CIENTQNICWDFOP-NHCUHLMSSA-N 2 1 382.552 3.503 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001172616157 905674064 /nfs/dbraw/zinc/67/40/64/905674064.db2.gz NVFVJVKYJBXGKJ-MSOLQXFVSA-N 2 1 376.566 3.768 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001172616161 905674362 /nfs/dbraw/zinc/67/43/62/905674362.db2.gz NVFVJVKYJBXGKJ-QZTJIDSGSA-N 2 1 376.566 3.768 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001172713267 905795726 /nfs/dbraw/zinc/79/57/26/905795726.db2.gz PTFKDBFNBFOQEK-DNVJHFABSA-N 2 1 387.999 3.736 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC[C@@H]21 ZINC001172714645 905797171 /nfs/dbraw/zinc/79/71/71/905797171.db2.gz BYBVHKVQDKGALU-SWUCNREESA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC[C@@H]21 ZINC001172714645 905797178 /nfs/dbraw/zinc/79/71/78/905797178.db2.gz BYBVHKVQDKGALU-SWUCNREESA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3Cc4ccc(Cl)cc4C3)CC[C@@H]21 ZINC001172714645 905797186 /nfs/dbraw/zinc/79/71/86/905797186.db2.gz BYBVHKVQDKGALU-SWUCNREESA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3Cc4ccc(Cl)cc4C3)CC[C@@H]21 ZINC001172714645 905797193 /nfs/dbraw/zinc/79/71/93/905797193.db2.gz BYBVHKVQDKGALU-SWUCNREESA-N 2 1 398.982 3.877 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173110831 906198729 /nfs/dbraw/zinc/19/87/29/906198729.db2.gz ZDJZYCBKPCVCFB-QHGAOEGBSA-N 2 1 379.589 3.828 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)CC1 ZINC001173111333 906199190 /nfs/dbraw/zinc/19/91/90/906199190.db2.gz WEIOBMDFQTWDAC-UHFFFAOYSA-N 2 1 379.552 3.592 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CCN(c3cc(C)[nH+]c4ccccc43)CC1)CO2 ZINC001173153630 906240839 /nfs/dbraw/zinc/24/08/39/906240839.db2.gz ZWDGZRQNIZTRAS-SFHVURJKSA-N 2 1 389.499 3.678 20 0 GHADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173384030 906412823 /nfs/dbraw/zinc/41/28/23/906412823.db2.gz NEXWOXFCLXAZSS-KURKYZTESA-N 2 1 398.588 3.514 20 0 GHADMP CCc1ccsc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365911199 921244647 /nfs/dbraw/zinc/24/46/47/921244647.db2.gz FTGLUAODECXMCH-UHFFFAOYSA-N 2 1 377.598 3.579 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCc1cccs1 ZINC000365912423 921245122 /nfs/dbraw/zinc/24/51/22/921245122.db2.gz POIKMTISWHPXIV-UHFFFAOYSA-N 2 1 391.625 3.726 20 0 GHADMP Cc1[nH]c2ccccc2c1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365912612 921245195 /nfs/dbraw/zinc/24/51/95/921245195.db2.gz RAXZBQKPFJSJEI-UHFFFAOYSA-N 2 1 396.579 3.745 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662261 906597893 /nfs/dbraw/zinc/59/78/93/906597893.db2.gz WQHVPQJXIZAXAM-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662261 906597894 /nfs/dbraw/zinc/59/78/94/906597894.db2.gz WQHVPQJXIZAXAM-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCN(C3CCC4(CCc5ccccc54)CC3)CC2)CC1 ZINC001173691812 906650442 /nfs/dbraw/zinc/65/04/42/906650442.db2.gz OTOBGWJAKSXMEJ-UHFFFAOYSA-N 2 1 381.608 3.773 20 0 GHADMP Cc1cn2c([nH+]1)C[C@@H](c1nc(-c3cccc(C[NH+]4CCCCC4)c3)no1)CC2 ZINC000629354877 906730618 /nfs/dbraw/zinc/73/06/18/906730618.db2.gz DVFLROXMRNRWOA-IBGZPJMESA-N 2 1 377.492 3.957 20 0 GHADMP C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@H+](C)CCOCC[NH3+] ZINC000629578619 906875755 /nfs/dbraw/zinc/87/57/55/906875755.db2.gz UHJODZJNJJQCKU-MRXNPFEDSA-N 2 1 386.927 3.706 20 0 GHADMP C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000629578619 906875764 /nfs/dbraw/zinc/87/57/64/906875764.db2.gz UHJODZJNJJQCKU-MRXNPFEDSA-N 2 1 386.927 3.706 20 0 GHADMP Clc1cc(Br)ccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629581300 906876641 /nfs/dbraw/zinc/87/66/41/906876641.db2.gz VCGORBCTVXREDZ-CZUORRHYSA-N 2 1 385.733 3.760 20 0 GHADMP Clc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629581300 906876661 /nfs/dbraw/zinc/87/66/61/906876661.db2.gz VCGORBCTVXREDZ-CZUORRHYSA-N 2 1 385.733 3.760 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000629601189 906892290 /nfs/dbraw/zinc/89/22/90/906892290.db2.gz IMHIXLQFTRGJAQ-QGZVFWFLSA-N 2 1 377.488 3.861 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000629601189 906892303 /nfs/dbraw/zinc/89/23/03/906892303.db2.gz IMHIXLQFTRGJAQ-QGZVFWFLSA-N 2 1 377.488 3.861 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]([NH3+])c1ccccc1 ZINC000629603086 906895800 /nfs/dbraw/zinc/89/58/00/906895800.db2.gz ZWNLMCKBOOMZAT-WZONZLPQSA-N 2 1 391.515 3.864 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]([NH3+])c1ccccc1 ZINC000629603086 906895810 /nfs/dbraw/zinc/89/58/10/906895810.db2.gz ZWNLMCKBOOMZAT-WZONZLPQSA-N 2 1 391.515 3.864 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000181519620 907018783 /nfs/dbraw/zinc/01/87/83/907018783.db2.gz MXSYVTDQWGUCTK-GOSISDBHSA-N 2 1 391.987 3.902 20 0 GHADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)oc21 ZINC000182265228 907173098 /nfs/dbraw/zinc/17/30/98/907173098.db2.gz ZRBBWHKFCJYOMN-UZLBHIALSA-N 2 1 380.488 3.859 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844820 907251221 /nfs/dbraw/zinc/25/12/21/907251221.db2.gz HDLUCMUFYMUYKQ-RXVVDRJESA-N 2 1 389.584 3.969 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844820 907251222 /nfs/dbraw/zinc/25/12/22/907251222.db2.gz HDLUCMUFYMUYKQ-RXVVDRJESA-N 2 1 389.584 3.969 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844820 907251225 /nfs/dbraw/zinc/25/12/25/907251225.db2.gz HDLUCMUFYMUYKQ-RXVVDRJESA-N 2 1 389.584 3.969 20 0 GHADMP COC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccc(F)c(F)c1 ZINC000182956879 907301625 /nfs/dbraw/zinc/30/16/25/907301625.db2.gz INFZHAFNOLJBGK-HXUWFJFHSA-N 2 1 393.478 3.759 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128148 907332705 /nfs/dbraw/zinc/33/27/05/907332705.db2.gz CLSUCGLIDVPAIT-PMVMPFDFSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)(C)CNC(=O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174983334 907333119 /nfs/dbraw/zinc/33/31/19/907333119.db2.gz HMEYSDDIOOHIEH-JOCHJYFZSA-N 2 1 385.596 3.771 20 0 GHADMP COc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000631580042 907765588 /nfs/dbraw/zinc/76/55/88/907765588.db2.gz DYRXNOMNMYKCJY-OAQYLSRUSA-N 2 1 382.504 3.531 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707807 907819111 /nfs/dbraw/zinc/81/91/11/907819111.db2.gz GPLGRWNAPDLBJR-HUUCEWRRSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707807 907819124 /nfs/dbraw/zinc/81/91/24/907819124.db2.gz GPLGRWNAPDLBJR-HUUCEWRRSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1OC(F)F ZINC000185759096 907831655 /nfs/dbraw/zinc/83/16/55/907831655.db2.gz YWBYZYXYUDJKTG-JYJNAYRXSA-N 2 1 395.494 3.858 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1OC(F)F ZINC000185759096 907831665 /nfs/dbraw/zinc/83/16/65/907831665.db2.gz YWBYZYXYUDJKTG-JYJNAYRXSA-N 2 1 395.494 3.858 20 0 GHADMP CN(c1ccccc1C[NH+]1CCC(C(=O)C(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000187654793 908121794 /nfs/dbraw/zinc/12/17/94/908121794.db2.gz VTMOHAMRQUKKAT-UHFFFAOYSA-N 2 1 397.485 3.560 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001177222005 908471975 /nfs/dbraw/zinc/47/19/75/908471975.db2.gz FMCXDLAHJZNWBN-UKILVPOCSA-N 2 1 393.575 3.521 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC001177222007 908472345 /nfs/dbraw/zinc/47/23/45/908472345.db2.gz FMCXDLAHJZNWBN-ZCYQVOJMSA-N 2 1 393.575 3.521 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(-n4ccnc4)cs3)CC2)oc1C ZINC001177664407 908689080 /nfs/dbraw/zinc/68/90/80/908689080.db2.gz QPHLWCFYSWLARV-UHFFFAOYSA-N 2 1 385.537 3.540 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000193298843 908862818 /nfs/dbraw/zinc/86/28/18/908862818.db2.gz OJBMWRGAFHHRTI-WZOPUGGXSA-N 2 1 391.559 3.997 20 0 GHADMP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000193999900 908908169 /nfs/dbraw/zinc/90/81/69/908908169.db2.gz VJBYBMOCALDFML-CYBMUJFWSA-N 2 1 395.370 3.508 20 0 GHADMP [NH3+]C1(CC(=O)Nc2ccccc2N2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637802623 909977920 /nfs/dbraw/zinc/97/79/20/909977920.db2.gz XLINLHWZPVKZEI-UHFFFAOYSA-N 2 1 392.547 3.609 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(COC)c2)[C@@H](C)C1 ZINC000268915583 910069107 /nfs/dbraw/zinc/06/91/07/910069107.db2.gz NZZPUOQGNPOKCY-UEXGIBASSA-N 2 1 378.557 3.629 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000268957209 910083057 /nfs/dbraw/zinc/08/30/57/910083057.db2.gz YZSRYKHNXYZAEZ-HNNXBMFYSA-N 2 1 396.503 3.985 20 0 GHADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000638216581 910089111 /nfs/dbraw/zinc/08/91/11/910089111.db2.gz IQVUWFMXUHCQEA-NJDAHSKKSA-N 2 1 397.588 3.551 20 0 GHADMP CC[C@H](c1ccncc1)N(CC)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638282632 910102247 /nfs/dbraw/zinc/10/22/47/910102247.db2.gz GPJSHLJNFUDPDZ-JOCHJYFZSA-N 2 1 394.563 3.765 20 0 GHADMP [NH3+]C1(CC(=O)N2CC3CC2(c2ccccc2)C3)CC[NH+](Cc2ccccc2)CC1 ZINC000638434143 910152458 /nfs/dbraw/zinc/15/24/58/910152458.db2.gz IKDYNPKXGLLWPB-UHFFFAOYSA-N 2 1 389.543 3.518 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nc4ccccc4nc3C)CC2)oc1C ZINC000638523972 910170526 /nfs/dbraw/zinc/17/05/26/910170526.db2.gz LCYGADQDJVQZOC-UHFFFAOYSA-N 2 1 379.508 3.545 20 0 GHADMP C[C@H](C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001180580903 910225881 /nfs/dbraw/zinc/22/58/81/910225881.db2.gz ZYAQASPHQVLWRS-ZJSXRUAMSA-N 2 1 391.559 3.774 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1Cn1cccn1 ZINC000246314205 910229496 /nfs/dbraw/zinc/22/94/96/910229496.db2.gz DWVXGFOHVNFGQF-UXHICEINSA-N 2 1 384.568 3.959 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC2(CC[N@@H+](C)C2)CC1)c1ccc(Cl)cc1 ZINC001274472402 910275894 /nfs/dbraw/zinc/27/58/94/910275894.db2.gz VQKJOFNOIVVQOC-LJQANCHMSA-N 2 1 377.960 3.667 20 0 GHADMP C[N@@H+](CC(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1)C1CCCC1 ZINC001180628692 910276721 /nfs/dbraw/zinc/27/67/21/910276721.db2.gz BFYOCFUIIFEJBH-UHFFFAOYSA-N 2 1 397.485 3.660 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)c4cccnc34)cc2)CC1 ZINC000151388782 910475826 /nfs/dbraw/zinc/47/58/26/910475826.db2.gz VEWAGMZAGJASRQ-UHFFFAOYSA-N 2 1 392.522 3.801 20 0 GHADMP C[N@@H+](CCC(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1)Cc1ccccc1 ZINC001181139510 910566295 /nfs/dbraw/zinc/56/62/95/910566295.db2.gz YBLBZBFPTIRKHC-UHFFFAOYSA-N 2 1 378.451 3.518 20 0 GHADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000639982642 910766009 /nfs/dbraw/zinc/76/60/09/910766009.db2.gz RYYPMFNOAZEKSA-UHFFFAOYSA-N 2 1 394.357 3.728 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)c2)CC1 ZINC000271261327 910836671 /nfs/dbraw/zinc/83/66/71/910836671.db2.gz KRTUTJMARKIVAU-HSZRJFAPSA-N 2 1 399.579 3.543 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)c2)CC1 ZINC000271261331 910837001 /nfs/dbraw/zinc/83/70/01/910837001.db2.gz KRTUTJMARKIVAU-QHCPKHFHSA-N 2 1 399.579 3.543 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000271415997 910895633 /nfs/dbraw/zinc/89/56/33/910895633.db2.gz OHXQDGBDASNSGD-OAQYLSRUSA-N 2 1 386.584 3.767 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000271430319 910902363 /nfs/dbraw/zinc/90/23/63/910902363.db2.gz DQBDKBDKACAIOI-GBXCKJPGSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000271430319 910902368 /nfs/dbraw/zinc/90/23/68/910902368.db2.gz DQBDKBDKACAIOI-GBXCKJPGSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(Br)ncc1F ZINC000273860383 911064582 /nfs/dbraw/zinc/06/45/82/911064582.db2.gz MADMNTKGXZMQJL-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001181977156 911105833 /nfs/dbraw/zinc/10/58/33/911105833.db2.gz KNSFSNWXBWZOLG-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242844 911371608 /nfs/dbraw/zinc/37/16/08/911371608.db2.gz CXEAWHUJFYSXGR-UXHICEINSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242844 911371625 /nfs/dbraw/zinc/37/16/25/911371625.db2.gz CXEAWHUJFYSXGR-UXHICEINSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000641728817 911496592 /nfs/dbraw/zinc/49/65/92/911496592.db2.gz ZQKBFDZJLNRNQF-LPHOPBHVSA-N 2 1 378.442 3.855 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000641728817 911496601 /nfs/dbraw/zinc/49/66/01/911496601.db2.gz ZQKBFDZJLNRNQF-LPHOPBHVSA-N 2 1 378.442 3.855 20 0 GHADMP C[C@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000641820314 911528680 /nfs/dbraw/zinc/52/86/80/911528680.db2.gz KGRNAMNRTWCACK-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)cc1 ZINC001182389777 911601751 /nfs/dbraw/zinc/60/17/51/911601751.db2.gz DASFAQMLWIDBBP-QUCCMNQESA-N 2 1 378.520 3.921 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cn1 ZINC000283982021 911710162 /nfs/dbraw/zinc/71/01/62/911710162.db2.gz GZORGARBTHGWCA-VQIMIIECSA-N 2 1 399.539 3.701 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000284119189 911761471 /nfs/dbraw/zinc/76/14/71/911761471.db2.gz PFXIOUUOXBTIIO-SBOSXTITSA-N 2 1 386.580 3.587 20 0 GHADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284191357 911784436 /nfs/dbraw/zinc/78/44/36/911784436.db2.gz YGZMNMVWZZAZIP-UHFFFAOYSA-N 2 1 390.959 3.960 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816512 912063155 /nfs/dbraw/zinc/06/31/55/912063155.db2.gz UBOVCBFVQAYLLC-WAGURGNTSA-N 2 1 397.588 3.940 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816512 912063175 /nfs/dbraw/zinc/06/31/75/912063175.db2.gz UBOVCBFVQAYLLC-WAGURGNTSA-N 2 1 397.588 3.940 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816512 912063189 /nfs/dbraw/zinc/06/31/89/912063189.db2.gz UBOVCBFVQAYLLC-WAGURGNTSA-N 2 1 397.588 3.940 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCCc1c[nH]c2cc[nH+]cc12 ZINC001182939255 912170432 /nfs/dbraw/zinc/17/04/32/912170432.db2.gz CSIIADPRIRUKLC-UHFFFAOYSA-N 2 1 398.510 3.924 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC000796358034 914965841 /nfs/dbraw/zinc/96/58/41/914965841.db2.gz PPTKZQYPCRJWCC-VWLOTQADSA-N 2 1 395.591 3.638 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076406 915019111 /nfs/dbraw/zinc/01/91/11/915019111.db2.gz JNYXBDJOXSEDTN-KRWDZBQOSA-N 2 1 379.504 3.795 20 0 GHADMP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183528 915075575 /nfs/dbraw/zinc/07/55/75/915075575.db2.gz AHGMQARUBQATMD-FGZHOGPDSA-N 2 1 389.543 3.858 20 0 GHADMP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183528 915075594 /nfs/dbraw/zinc/07/55/94/915075594.db2.gz AHGMQARUBQATMD-FGZHOGPDSA-N 2 1 389.543 3.858 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008510 921744318 /nfs/dbraw/zinc/74/43/18/921744318.db2.gz LYWYMVRHHDXONX-NRFANRHFSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008510 921744327 /nfs/dbraw/zinc/74/43/27/921744327.db2.gz LYWYMVRHHDXONX-NRFANRHFSA-N 2 1 376.545 3.695 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1OCc1ccncc1 ZINC000647479944 915290468 /nfs/dbraw/zinc/29/04/68/915290468.db2.gz YOIQSODVNLLEIP-SFTDATJTSA-N 2 1 381.520 3.633 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1OCc1ccncc1 ZINC000647479944 915290481 /nfs/dbraw/zinc/29/04/81/915290481.db2.gz YOIQSODVNLLEIP-SFTDATJTSA-N 2 1 381.520 3.633 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]21 ZINC000647907883 915434409 /nfs/dbraw/zinc/43/44/09/915434409.db2.gz IUKPHDNTCRSOFV-YZGWKJHDSA-N 2 1 379.504 3.867 20 0 GHADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000648857432 915911213 /nfs/dbraw/zinc/91/12/13/915911213.db2.gz XHOAAKRHUUVKGS-UHFFFAOYSA-N 2 1 399.501 3.620 20 0 GHADMP CC[NH+](Cc1cc(C[N@@H+](CC)C[C@H]2CCOC2)ccc1F)C[C@@H]1CCOC1 ZINC000649249423 916082165 /nfs/dbraw/zinc/08/21/65/916082165.db2.gz MGTFEQJOFHILJS-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)C[C@@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000649249423 916082186 /nfs/dbraw/zinc/08/21/86/916082186.db2.gz MGTFEQJOFHILJS-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)C[C@@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000649249423 916082202 /nfs/dbraw/zinc/08/22/02/916082202.db2.gz MGTFEQJOFHILJS-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650414876 916962801 /nfs/dbraw/zinc/96/28/01/916962801.db2.gz DMSCTQKNUFFQQS-QGZVFWFLSA-N 2 1 378.586 3.725 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000650417650 916973102 /nfs/dbraw/zinc/97/31/02/916973102.db2.gz SVJVIZSXKIAWFN-UHFFFAOYSA-N 2 1 390.597 3.823 20 0 GHADMP Brc1ccccc1CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000362276629 917182908 /nfs/dbraw/zinc/18/29/08/917182908.db2.gz HTVLYERFUOQTRE-OALUTQOASA-N 2 1 392.385 3.630 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OCC(C)C ZINC000650722484 917248513 /nfs/dbraw/zinc/24/85/13/917248513.db2.gz VJKFGFYPZIICLN-ZVDOUQERSA-N 2 1 376.541 3.591 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1OC ZINC000650722743 917250688 /nfs/dbraw/zinc/25/06/88/917250688.db2.gz ALKNTWQXWQIBQF-ROPHOZQPSA-N 2 1 376.541 3.733 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000295792398 917501259 /nfs/dbraw/zinc/50/12/59/917501259.db2.gz BPINXLKDKNFTRY-FQEVSTJZSA-N 2 1 387.549 3.650 20 0 GHADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001190682345 917511382 /nfs/dbraw/zinc/51/13/82/917511382.db2.gz GNJJJIUKCGXWOC-DEOSSOPVSA-N 2 1 399.623 3.960 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000652193338 917834446 /nfs/dbraw/zinc/83/44/46/917834446.db2.gz FEFACCXPTCPMAS-OAQYLSRUSA-N 2 1 394.563 3.508 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000652363631 917882435 /nfs/dbraw/zinc/88/24/35/917882435.db2.gz JSYCRVYWUULXEG-BVGQSLNGSA-N 2 1 393.503 3.949 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000652363631 917882444 /nfs/dbraw/zinc/88/24/44/917882444.db2.gz JSYCRVYWUULXEG-BVGQSLNGSA-N 2 1 393.503 3.949 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000652361966 917882794 /nfs/dbraw/zinc/88/27/94/917882794.db2.gz UTFAIJKPWCIMTK-QRQLOZEOSA-N 2 1 375.900 3.856 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652362685 917883160 /nfs/dbraw/zinc/88/31/60/917883160.db2.gz MSPNXNGADKVPSY-QKYXUNIQSA-N 2 1 387.549 3.680 20 0 GHADMP CC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000297421511 919318059 /nfs/dbraw/zinc/31/80/59/919318059.db2.gz HFZNXWUZJWSACE-XMMPIXPASA-N 2 1 380.532 3.767 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000381956741 919716650 /nfs/dbraw/zinc/71/66/50/919716650.db2.gz FOKLCSYNKGSNSX-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH2+][C@H](C)Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)c2ccccc2)n1 ZINC000900008426 919741838 /nfs/dbraw/zinc/74/18/38/919741838.db2.gz HXXROOBMTHJLQV-ZHRMCQFGSA-N 2 1 390.531 3.777 20 0 GHADMP C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000364765595 919965245 /nfs/dbraw/zinc/96/52/45/919965245.db2.gz XVLJHBAQMMFHKC-MBSDFSHPSA-N 2 1 378.520 3.801 20 0 GHADMP O=C(/C=C\c1ccccc1)NCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000800507216 920213595 /nfs/dbraw/zinc/21/35/95/920213595.db2.gz VUCXPELNUGPTNY-SEYXRHQNSA-N 2 1 391.559 3.503 20 0 GHADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000902333826 922097522 /nfs/dbraw/zinc/09/75/22/922097522.db2.gz OWXCDRZFDXGLDL-FPOVZHCZSA-N 2 1 386.561 3.547 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000367735502 922287525 /nfs/dbraw/zinc/28/75/25/922287525.db2.gz AEOFABNWNLJLJH-UHFFFAOYSA-N 2 1 380.458 3.978 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368019433 922428315 /nfs/dbraw/zinc/42/83/15/922428315.db2.gz RXJMIINHQIAESV-DFQSSKMNSA-N 2 1 399.560 3.579 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368019433 922428330 /nfs/dbraw/zinc/42/83/30/922428330.db2.gz RXJMIINHQIAESV-DFQSSKMNSA-N 2 1 399.560 3.579 20 0 GHADMP c1ccc(CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000902808238 922510656 /nfs/dbraw/zinc/51/06/56/922510656.db2.gz GKNXJENQSLFKSK-QPPBQGQZSA-N 2 1 379.548 3.846 20 0 GHADMP Cn1cc([C@@]2(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CCCO2)cn1 ZINC000903362376 922960521 /nfs/dbraw/zinc/96/05/21/922960521.db2.gz YZQRSORRZXOQTC-NHYNNZIHSA-N 2 1 394.563 3.601 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090825 923104922 /nfs/dbraw/zinc/10/49/22/923104922.db2.gz GQSQPAMBPVQAJC-HNAYVOBHSA-N 2 1 394.441 3.560 20 0 GHADMP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090825 923104928 /nfs/dbraw/zinc/10/49/28/923104928.db2.gz GQSQPAMBPVQAJC-HNAYVOBHSA-N 2 1 394.441 3.560 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090825 923104931 /nfs/dbraw/zinc/10/49/31/923104931.db2.gz GQSQPAMBPVQAJC-HNAYVOBHSA-N 2 1 394.441 3.560 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000369137985 923141509 /nfs/dbraw/zinc/14/15/09/923141509.db2.gz DNVHUZUEKSLQPG-XXDDBKGRSA-N 2 1 398.595 3.698 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000903762638 923266937 /nfs/dbraw/zinc/26/69/37/923266937.db2.gz BTCLTOUNUYGMFE-KPDCDPCYSA-N 2 1 399.510 3.615 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CC(F)(F)F)C(C)C)cc1 ZINC000543806648 923856740 /nfs/dbraw/zinc/85/67/40/923856740.db2.gz GMWZGSMPMOSVGF-CQSZACIVSA-N 2 1 382.430 3.631 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000370367655 924057923 /nfs/dbraw/zinc/05/79/23/924057923.db2.gz QEFDEEBCAZEBBJ-YADARESESA-N 2 1 379.548 3.980 20 0 GHADMP COc1cccc(C[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000677128925 924250836 /nfs/dbraw/zinc/25/08/36/924250836.db2.gz BYORXNKYYVYWEC-VXKWHMMOSA-N 2 1 399.604 3.656 20 0 GHADMP Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(-c2cc3ccccc3o2)n1 ZINC000678339005 924732250 /nfs/dbraw/zinc/73/22/50/924732250.db2.gz LACKFIFKTSMRDS-SFHLNBCPSA-N 2 1 394.519 3.517 20 0 GHADMP Cn1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(-c2cc3ccccc3o2)n1 ZINC000678339005 924732259 /nfs/dbraw/zinc/73/22/59/924732259.db2.gz LACKFIFKTSMRDS-SFHLNBCPSA-N 2 1 394.519 3.517 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000679174581 925052090 /nfs/dbraw/zinc/05/20/90/925052090.db2.gz MSBHZZGBMLJSFD-UXHICEINSA-N 2 1 384.568 3.580 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)o1 ZINC000680051590 925341809 /nfs/dbraw/zinc/34/18/09/925341809.db2.gz SCZLFJKVDSOYDE-UHFFFAOYSA-N 2 1 376.526 3.597 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)o1 ZINC000680051590 925341819 /nfs/dbraw/zinc/34/18/19/925341819.db2.gz SCZLFJKVDSOYDE-UHFFFAOYSA-N 2 1 376.526 3.597 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000680087373 925356498 /nfs/dbraw/zinc/35/64/98/925356498.db2.gz ZQQFTFICQDIEHB-WXFUMESZSA-N 2 1 391.559 3.779 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000410362990 925567598 /nfs/dbraw/zinc/56/75/98/925567598.db2.gz FDKRSVADXCHQND-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@@H](Cc2ccncc2)C1)[NH+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890627 925645619 /nfs/dbraw/zinc/64/56/19/925645619.db2.gz JSKFQTMHDALBPC-QDSKXPNFSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](Cc2ccncc2)C1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890627 925645625 /nfs/dbraw/zinc/64/56/25/925645625.db2.gz JSKFQTMHDALBPC-QDSKXPNFSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](Cc2ccncc2)C1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680890627 925645626 /nfs/dbraw/zinc/64/56/26/925645626.db2.gz JSKFQTMHDALBPC-QDSKXPNFSA-N 2 1 378.564 3.684 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000682069519 926001983 /nfs/dbraw/zinc/00/19/83/926001983.db2.gz QSDCSWGFVIUOIQ-UHFFFAOYSA-N 2 1 394.357 3.584 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000373498095 926195834 /nfs/dbraw/zinc/19/58/34/926195834.db2.gz XIGUPEGHIWCEIC-UHFFFAOYSA-N 2 1 398.595 3.557 20 0 GHADMP c1nnc([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1C1CC1 ZINC000411398328 926366799 /nfs/dbraw/zinc/36/67/99/926366799.db2.gz JERUXLKFZHULJC-NRFANRHFSA-N 2 1 379.552 3.979 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000751081949 928019555 /nfs/dbraw/zinc/01/95/55/928019555.db2.gz FRTDVRUGRKWUJC-OOMBGRCJSA-N 2 1 398.595 3.747 20 0 GHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543942306 928591721 /nfs/dbraw/zinc/59/17/21/928591721.db2.gz DLZFNZYILFMVLA-UWJYYQICSA-N 2 1 397.592 3.524 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000467197035 928813669 /nfs/dbraw/zinc/81/36/69/928813669.db2.gz RPHLWZQRZARMNE-QHCPKHFHSA-N 2 1 391.644 3.996 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000467197035 928813677 /nfs/dbraw/zinc/81/36/77/928813677.db2.gz RPHLWZQRZARMNE-QHCPKHFHSA-N 3 1 391.644 3.996 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000467197035 928813683 /nfs/dbraw/zinc/81/36/83/928813683.db2.gz RPHLWZQRZARMNE-QHCPKHFHSA-N 3 1 391.644 3.996 20 0 GHADMP CC[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCC[NH2+]1 ZINC000467691482 929306942 /nfs/dbraw/zinc/30/69/42/929306942.db2.gz BYMQYFDXNPRKRD-LJQANCHMSA-N 2 1 384.351 3.606 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000753548067 929406110 /nfs/dbraw/zinc/40/61/10/929406110.db2.gz ATGWECDNIMRSMI-VXKWHMMOSA-N 2 1 380.467 3.803 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469763467 930145637 /nfs/dbraw/zinc/14/56/37/930145637.db2.gz JTPXEMQCDBZXHU-IRXDYDNUSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000469768591 930149759 /nfs/dbraw/zinc/14/97/59/930149759.db2.gz KYHWVIPVMOLCOI-CYGODWOOSA-N 2 1 383.511 3.901 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000469787589 930162450 /nfs/dbraw/zinc/16/24/50/930162450.db2.gz PYMJBDBMQXOIAP-IRXDYDNUSA-N 2 1 384.495 3.859 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](Cc3ccc(Cl)cc3)C(N)=O)cc2)C1 ZINC000546887684 930511294 /nfs/dbraw/zinc/51/12/94/930511294.db2.gz DJWGKANDCQYMCJ-HTAPYJJXSA-N 2 1 399.966 3.758 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000470369843 930567504 /nfs/dbraw/zinc/56/75/04/930567504.db2.gz QUEOSVKYOBEVJN-OAQYLSRUSA-N 2 1 383.923 3.728 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000470369843 930567508 /nfs/dbraw/zinc/56/75/08/930567508.db2.gz QUEOSVKYOBEVJN-OAQYLSRUSA-N 2 1 383.923 3.728 20 0 GHADMP Cn1nc(Br)cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000691571602 930784207 /nfs/dbraw/zinc/78/42/07/930784207.db2.gz JOZWDHGZQNQCHR-KRWDZBQOSA-N 2 1 391.357 3.575 20 0 GHADMP Cn1nc(Br)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000691571602 930784213 /nfs/dbraw/zinc/78/42/13/930784213.db2.gz JOZWDHGZQNQCHR-KRWDZBQOSA-N 2 1 391.357 3.575 20 0 GHADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000470766182 930892731 /nfs/dbraw/zinc/89/27/31/930892731.db2.gz OOQYLJXNAZWPEQ-VWLOTQADSA-N 2 1 389.543 3.987 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1-c1ccccc1 ZINC000781922839 931031047 /nfs/dbraw/zinc/03/10/47/931031047.db2.gz KYPMOTFEZBGNOU-MBSDFSHPSA-N 2 1 390.531 3.598 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)CCCO2 ZINC000781923378 931031183 /nfs/dbraw/zinc/03/11/83/931031183.db2.gz NCDRJXLZPMEIJF-DHIUTWEWSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@H](CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000471090953 931144233 /nfs/dbraw/zinc/14/42/33/931144233.db2.gz OVFXYARRHWOYGN-MJGOQNOKSA-N 2 1 388.581 3.561 20 0 GHADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924671015 931469284 /nfs/dbraw/zinc/46/92/84/931469284.db2.gz OLBJYDGSMZZEOU-FDDCHVKYSA-N 2 1 378.520 3.533 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000925135130 931671824 /nfs/dbraw/zinc/67/18/24/931671824.db2.gz UHWWEDGKCMJHJJ-OWYHZJEWSA-N 2 1 376.545 3.738 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+](C)C ZINC000557821984 931706763 /nfs/dbraw/zinc/70/67/63/931706763.db2.gz VJRJLJSKRGIREC-KNQAVFIVSA-N 2 1 388.600 3.748 20 0 GHADMP c1ccc(C[C@H](Cc2cccnc2)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000925386613 931766402 /nfs/dbraw/zinc/76/64/02/931766402.db2.gz GCEOTKQYRGZPAR-XMMPIXPASA-N 2 1 393.575 3.860 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C[C@@H]([NH3+])C1 ZINC000925513466 931808625 /nfs/dbraw/zinc/80/86/25/931808625.db2.gz GRGTYZWPFZXTGK-SVFBPWRDSA-N 2 1 386.561 3.675 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784507252 931917086 /nfs/dbraw/zinc/91/70/86/931917086.db2.gz UOQZOSRYFRUXBA-FHWLQOOXSA-N 2 1 376.545 3.597 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784507252 931917090 /nfs/dbraw/zinc/91/70/90/931917090.db2.gz UOQZOSRYFRUXBA-FHWLQOOXSA-N 2 1 376.545 3.597 20 0 GHADMP O=C(C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000558466781 932018839 /nfs/dbraw/zinc/01/88/39/932018839.db2.gz RAZMTFBVQUQNMC-FQEVSTJZSA-N 2 1 396.362 3.777 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000796692180 932031379 /nfs/dbraw/zinc/03/13/79/932031379.db2.gz AFVVWHWWGXNQDU-LWYYNNOASA-N 2 1 397.604 3.549 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000796976813 932133567 /nfs/dbraw/zinc/13/35/67/932133567.db2.gz FNLRJPUTUPEUSI-GAJHUEQPSA-N 2 1 379.504 3.580 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777610868 932354261 /nfs/dbraw/zinc/35/42/61/932354261.db2.gz PQMPAMNCUQQFDE-HYBUGGRVSA-N 2 1 378.564 3.761 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777610865 932354361 /nfs/dbraw/zinc/35/43/61/932354361.db2.gz PQMPAMNCUQQFDE-GBXCKJPGSA-N 2 1 378.564 3.761 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000559254946 932557178 /nfs/dbraw/zinc/55/71/78/932557178.db2.gz UDPKFZBBGBOSMR-HSZRJFAPSA-N 2 1 382.523 3.717 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000559282427 932576882 /nfs/dbraw/zinc/57/68/82/932576882.db2.gz SONQTONALFPXOX-ICSRJNTNSA-N 2 1 388.556 3.554 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000798271285 932586021 /nfs/dbraw/zinc/58/60/21/932586021.db2.gz FRBYGNSKOYUIHX-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000798271285 932586025 /nfs/dbraw/zinc/58/60/25/932586025.db2.gz FRBYGNSKOYUIHX-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482943 932666664 /nfs/dbraw/zinc/66/66/64/932666664.db2.gz PXFVQJYPDRRSBA-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP COc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000798498351 932673510 /nfs/dbraw/zinc/67/35/10/932673510.db2.gz QYPZBNSXAQALFI-HSZRJFAPSA-N 2 1 384.520 3.714 20 0 GHADMP Cc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000798498396 932673974 /nfs/dbraw/zinc/67/39/74/932673974.db2.gz RJJUCWUCOUMQRJ-HSZRJFAPSA-N 2 1 375.520 3.578 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524835 932688381 /nfs/dbraw/zinc/68/83/81/932688381.db2.gz FJDOKSATIDRTAP-LADGPHEKSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524835 932688386 /nfs/dbraw/zinc/68/83/86/932688386.db2.gz FJDOKSATIDRTAP-LADGPHEKSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524835 932688388 /nfs/dbraw/zinc/68/83/88/932688388.db2.gz FJDOKSATIDRTAP-LADGPHEKSA-N 2 1 379.548 3.708 20 0 GHADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934458 932822200 /nfs/dbraw/zinc/82/22/00/932822200.db2.gz GHEMBUFVCUGUDO-YADARESESA-N 2 1 395.547 3.914 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935494 932822985 /nfs/dbraw/zinc/82/29/85/932822985.db2.gz PNJXGBKIGGCFPL-ZRCGQRJVSA-N 2 1 387.568 3.934 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936084 932824245 /nfs/dbraw/zinc/82/42/45/932824245.db2.gz XJHFNESKWLOOQX-JWQCQUIFSA-N 2 1 391.559 3.982 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000559735991 932826664 /nfs/dbraw/zinc/82/66/64/932826664.db2.gz HBKHFNNUKZXRCK-GOTSBHOMSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000559735991 932826675 /nfs/dbraw/zinc/82/66/75/932826675.db2.gz HBKHFNNUKZXRCK-GOTSBHOMSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1c1ccccc1 ZINC000559766343 932843704 /nfs/dbraw/zinc/84/37/04/932843704.db2.gz CRXQLJSJDPCYHQ-FYYLOGMGSA-N 2 1 378.495 3.979 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1c1ccccc1 ZINC000559766343 932843708 /nfs/dbraw/zinc/84/37/08/932843708.db2.gz CRXQLJSJDPCYHQ-FYYLOGMGSA-N 2 1 378.495 3.979 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](c3ccc(Cl)cc3)C3CCOCC3)C2)CC1 ZINC000559774213 932846027 /nfs/dbraw/zinc/84/60/27/932846027.db2.gz NVEPAIRLQSVVRL-FCHUYYIVSA-N 2 1 391.987 3.520 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559784495 932853648 /nfs/dbraw/zinc/85/36/48/932853648.db2.gz IKWLOSZHQATNPI-XXBNENTESA-N 2 1 384.520 3.898 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559784495 932853653 /nfs/dbraw/zinc/85/36/53/932853653.db2.gz IKWLOSZHQATNPI-XXBNENTESA-N 2 1 384.520 3.898 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)CC1 ZINC000799177551 932899660 /nfs/dbraw/zinc/89/96/60/932899660.db2.gz UNTHFJHFRBBZAM-MRXNPFEDSA-N 2 1 387.351 3.541 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)CC1 ZINC000799178645 932900150 /nfs/dbraw/zinc/90/01/50/932900150.db2.gz AHETVBOAVUZPRQ-GOSISDBHSA-N 2 1 395.469 3.619 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000799179566 932901722 /nfs/dbraw/zinc/90/17/22/932901722.db2.gz OMIPNQRLWDLJKZ-QHCPKHFHSA-N 2 1 394.559 3.901 20 0 GHADMP C[C@@H](Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777686818 932924405 /nfs/dbraw/zinc/92/44/05/932924405.db2.gz DXYHCFRHYQQFFF-HYBUGGRVSA-N 2 1 397.563 3.719 20 0 GHADMP C[C@@H](Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777686818 932924416 /nfs/dbraw/zinc/92/44/16/932924416.db2.gz DXYHCFRHYQQFFF-HYBUGGRVSA-N 2 1 397.563 3.719 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)cc2)CC1 ZINC000560269018 933174579 /nfs/dbraw/zinc/17/45/79/933174579.db2.gz CBLLWIWQXQXCOM-DEOSSOPVSA-N 2 1 388.515 3.829 20 0 GHADMP C[C@@H]1C[C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000560892790 933658650 /nfs/dbraw/zinc/65/86/50/933658650.db2.gz OHAXOCRYNXOBJW-ZBFHGGJFSA-N 2 1 391.437 3.685 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001117713326 933992444 /nfs/dbraw/zinc/99/24/44/933992444.db2.gz JRSAWVSJHKILMZ-AXVZGZRWSA-N 2 1 398.595 3.744 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4cc5ccccc5s4)C3)O2)CC1 ZINC001137684507 935710943 /nfs/dbraw/zinc/71/09/43/935710943.db2.gz RTOWGJXNCMHLGC-NFBKMPQASA-N 2 1 399.604 3.662 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cc5ccccc5s4)C3)O2)CC1 ZINC001137684507 935710949 /nfs/dbraw/zinc/71/09/49/935710949.db2.gz RTOWGJXNCMHLGC-NFBKMPQASA-N 2 1 399.604 3.662 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2)c1 ZINC001137758386 935774632 /nfs/dbraw/zinc/77/46/32/935774632.db2.gz SORJZEZJHSHBKQ-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001220702702 1032072191 /nfs/dbraw/zinc/07/21/91/1032072191.db2.gz YVYYQWHQZDBHRO-QFIPXVFZSA-N 2 1 392.632 3.842 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C1 ZINC001220704433 1032074088 /nfs/dbraw/zinc/07/40/88/1032074088.db2.gz MTEOSMHOIITSPU-WWNPGLIZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001220704433 1032074108 /nfs/dbraw/zinc/07/41/08/1032074108.db2.gz MTEOSMHOIITSPU-WWNPGLIZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001220704433 1032074125 /nfs/dbraw/zinc/07/41/25/1032074125.db2.gz MTEOSMHOIITSPU-WWNPGLIZSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC001625850809 1014229823 /nfs/dbraw/zinc/22/98/23/1014229823.db2.gz UIJWYEYAWARNIC-LJQANCHMSA-N 2 1 390.597 3.870 20 0 GHADMP CC(C)(C)OC(=O)NCCC1CC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000845965558 1014961043 /nfs/dbraw/zinc/96/10/43/1014961043.db2.gz JSMJSSAJSLNKDE-KBWCOIMZSA-N 2 1 387.568 3.792 20 0 GHADMP COCC[N@H+]1CC[C@H](Nc2ccc(C[NH+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926548 1015225134 /nfs/dbraw/zinc/22/51/34/1015225134.db2.gz CASHICCFCYNUQO-GOTSBHOMSA-N 2 1 389.584 3.599 20 0 GHADMP COCC[NH+]1CC[C@H](Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926548 1015225141 /nfs/dbraw/zinc/22/51/41/1015225141.db2.gz CASHICCFCYNUQO-GOTSBHOMSA-N 2 1 389.584 3.599 20 0 GHADMP COCC[NH+]1CC[C@H](Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926548 1015225147 /nfs/dbraw/zinc/22/51/47/1015225147.db2.gz CASHICCFCYNUQO-GOTSBHOMSA-N 2 1 389.584 3.599 20 0 GHADMP COc1cccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)c1 ZINC000545309351 1015762784 /nfs/dbraw/zinc/76/27/84/1015762784.db2.gz YKBHQOUZUFHMOA-QFIPXVFZSA-N 2 1 387.568 3.603 20 0 GHADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470753120 1016881485 /nfs/dbraw/zinc/88/14/85/1016881485.db2.gz CZGUYYSNHAXTGO-PKTZIBPZSA-N 2 1 394.563 3.595 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC001220874291 1032164643 /nfs/dbraw/zinc/16/46/43/1032164643.db2.gz PAFSNWDFOFRWBL-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1ccc(C2(CC(=O)N[C@H]3CC[N@@H+](CC4CCCCC4)C3)CC[NH2+]CC2)cc1 ZINC001220917317 1032188604 /nfs/dbraw/zinc/18/86/04/1032188604.db2.gz VSWRVVVBUZRIEZ-QHCPKHFHSA-N 2 1 397.607 3.777 20 0 GHADMP Cc1csc2sc(C[N@@H+]3CC[C@]4(CCN(CC[NH+](C)C)C4=O)C3)c(C)c12 ZINC001277201161 1032382351 /nfs/dbraw/zinc/38/23/51/1032382351.db2.gz QWVXYXYESQWKRG-FQEVSTJZSA-N 2 1 391.606 3.566 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccco1 ZINC001221547758 1032457531 /nfs/dbraw/zinc/45/75/31/1032457531.db2.gz SITAUIJLMUDLAJ-WOJBJXKFSA-N 2 1 390.572 3.759 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001155267551 1032477302 /nfs/dbraw/zinc/47/73/02/1032477302.db2.gz AEHYFGUJHYJGEY-UHFFFAOYSA-N 2 1 387.462 3.877 20 0 GHADMP Fc1cc(Cl)cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155358260 1032517113 /nfs/dbraw/zinc/51/71/13/1032517113.db2.gz QFISXTWVJTUFBS-QGZVFWFLSA-N 2 1 388.918 3.788 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC001221794845 1032538279 /nfs/dbraw/zinc/53/82/79/1032538279.db2.gz YOJCPSISYGICOR-FYYLOGMGSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001221794845 1032538287 /nfs/dbraw/zinc/53/82/87/1032538287.db2.gz YOJCPSISYGICOR-FYYLOGMGSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001221794845 1032538295 /nfs/dbraw/zinc/53/82/95/1032538295.db2.gz YOJCPSISYGICOR-FYYLOGMGSA-N 2 1 386.584 3.605 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927289861 1017382468 /nfs/dbraw/zinc/38/24/68/1017382468.db2.gz ISUNXORINXBOKD-YNEXMFEJSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)cc1 ZINC001204267492 1032709864 /nfs/dbraw/zinc/70/98/64/1032709864.db2.gz SXQACOMREYFZQS-IBGZPJMESA-N 2 1 378.513 3.543 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](OC(=O)OC(C)(C)C)C2)cc1 ZINC001204267492 1032709872 /nfs/dbraw/zinc/70/98/72/1032709872.db2.gz SXQACOMREYFZQS-IBGZPJMESA-N 2 1 378.513 3.543 20 0 GHADMP CCOc1ccccc1N1CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204267983 1032711844 /nfs/dbraw/zinc/71/18/44/1032711844.db2.gz XWDZSXMJDWNNNI-UHFFFAOYSA-N 2 1 397.563 3.738 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000564971271 1019132136 /nfs/dbraw/zinc/13/21/36/1019132136.db2.gz UMPYMXRRSKZQIW-MOPGFXCFSA-N 2 1 379.552 3.882 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159690 1019170134 /nfs/dbraw/zinc/17/01/34/1019170134.db2.gz ACSMWLDTUAIZON-UNMCSNQZSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159690 1019170141 /nfs/dbraw/zinc/17/01/41/1019170141.db2.gz ACSMWLDTUAIZON-UNMCSNQZSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159690 1019170151 /nfs/dbraw/zinc/17/01/51/1019170151.db2.gz ACSMWLDTUAIZON-UNMCSNQZSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159690 1019170158 /nfs/dbraw/zinc/17/01/58/1019170158.db2.gz ACSMWLDTUAIZON-UNMCSNQZSA-N 2 1 399.604 3.716 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569690809 1019502461 /nfs/dbraw/zinc/50/24/61/1019502461.db2.gz OGAYBNRJUPDCCC-LXGVVRJTSA-N 2 1 393.522 3.631 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569690809 1019502467 /nfs/dbraw/zinc/50/24/67/1019502467.db2.gz OGAYBNRJUPDCCC-LXGVVRJTSA-N 2 1 393.522 3.631 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000570821267 1019642522 /nfs/dbraw/zinc/64/25/22/1019642522.db2.gz XAXKNWIZPJCTID-UHFFFAOYSA-N 2 1 391.466 3.543 20 0 GHADMP Fc1ccc(OCc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000571921509 1019727631 /nfs/dbraw/zinc/72/76/31/1019727631.db2.gz WYFBAPDIEDPRLF-JKSUJKDBSA-N 2 1 375.513 3.683 20 0 GHADMP Cc1cc(C[NH3+])nn1-c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001156042122 1032852789 /nfs/dbraw/zinc/85/27/89/1032852789.db2.gz ADAJKZKMCHHQMD-UHFFFAOYSA-N 2 1 396.564 3.509 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573306941 1019827236 /nfs/dbraw/zinc/82/72/36/1019827236.db2.gz ZEPRKGYYWDNAEY-KXBFYZLASA-N 2 1 390.890 3.752 20 0 GHADMP COc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000631619035 1020895518 /nfs/dbraw/zinc/89/55/18/1020895518.db2.gz XZHHEMHDSLBPDM-IFMALSPDSA-N 2 1 396.531 3.655 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245786183 1021025628 /nfs/dbraw/zinc/02/56/28/1021025628.db2.gz ZNYYSSCNRWNHAH-BURNTYAHSA-N 2 1 385.552 3.781 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638678433 1021052377 /nfs/dbraw/zinc/05/23/77/1021052377.db2.gz BIPWQMLVFOEYCN-GMAHTHKFSA-N 2 1 377.532 3.546 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638678433 1021052385 /nfs/dbraw/zinc/05/23/85/1021052385.db2.gz BIPWQMLVFOEYCN-GMAHTHKFSA-N 2 1 377.532 3.546 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cc(C)c(C)o1)CC2 ZINC001204533313 1032954664 /nfs/dbraw/zinc/95/46/64/1032954664.db2.gz KJKZRICVCAQNKC-SFHVURJKSA-N 2 1 389.565 3.856 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cc(C)c(C)o1)CC2 ZINC001204533313 1032954671 /nfs/dbraw/zinc/95/46/71/1032954671.db2.gz KJKZRICVCAQNKC-SFHVURJKSA-N 2 1 389.565 3.856 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000834586136 1021283034 /nfs/dbraw/zinc/28/30/34/1021283034.db2.gz ZBEHTNKRKWRKAN-NDBXHCKUSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000834586136 1021283045 /nfs/dbraw/zinc/28/30/45/1021283045.db2.gz ZBEHTNKRKWRKAN-NDBXHCKUSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000834586136 1021283049 /nfs/dbraw/zinc/28/30/49/1021283049.db2.gz ZBEHTNKRKWRKAN-NDBXHCKUSA-N 3 1 397.607 3.663 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COC)C3)c2c1 ZINC001140269717 1021293437 /nfs/dbraw/zinc/29/34/37/1021293437.db2.gz WUZHHFFRNYWITL-RDPSFJRHSA-N 2 1 397.563 3.747 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COC)C3)c2c1 ZINC001140269717 1021293445 /nfs/dbraw/zinc/29/34/45/1021293445.db2.gz WUZHHFFRNYWITL-RDPSFJRHSA-N 2 1 397.563 3.747 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001140269717 1021293450 /nfs/dbraw/zinc/29/34/50/1021293450.db2.gz WUZHHFFRNYWITL-RDPSFJRHSA-N 2 1 397.563 3.747 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)c2c1 ZINC001140269717 1021293465 /nfs/dbraw/zinc/29/34/65/1021293465.db2.gz WUZHHFFRNYWITL-RDPSFJRHSA-N 2 1 397.563 3.747 20 0 GHADMP C[N@H+](Cc1ccccc1-c1cnc(N)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140325244 1021404703 /nfs/dbraw/zinc/40/47/03/1021404703.db2.gz MTFSELZDRDTWBY-FQEVSTJZSA-N 2 1 387.531 3.680 20 0 GHADMP C[NH+](Cc1ccccc1-c1cnc(N)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140325244 1021404709 /nfs/dbraw/zinc/40/47/09/1021404709.db2.gz MTFSELZDRDTWBY-FQEVSTJZSA-N 2 1 387.531 3.680 20 0 GHADMP C[NH+](Cc1ccccc1-c1cnc(N)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140325244 1021404718 /nfs/dbraw/zinc/40/47/18/1021404718.db2.gz MTFSELZDRDTWBY-FQEVSTJZSA-N 2 1 387.531 3.680 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cccc(Cl)c45)C[C@H]3C2)cn1 ZINC001140436360 1021703231 /nfs/dbraw/zinc/70/32/31/1021703231.db2.gz XXUZSJVHJZJYNI-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cccc(Cl)c45)C[C@H]3C2)cn1 ZINC001140436360 1021703250 /nfs/dbraw/zinc/70/32/50/1021703250.db2.gz XXUZSJVHJZJYNI-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5cccc(Cl)c45)C[C@H]3C2)cn1 ZINC001140436360 1021703263 /nfs/dbraw/zinc/70/32/63/1021703263.db2.gz XXUZSJVHJZJYNI-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5cccc(Cl)c45)C[C@H]3C2)cn1 ZINC001140436360 1021703280 /nfs/dbraw/zinc/70/32/80/1021703280.db2.gz XXUZSJVHJZJYNI-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)nc1 ZINC000677150406 1021801523 /nfs/dbraw/zinc/80/15/23/1021801523.db2.gz YWVQMORTEKXFMO-QGZVFWFLSA-N 2 1 386.515 3.612 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC(CC[NH+]4CCCC[C@H]4C)CC3)C[N@H+]2C1 ZINC001137309288 1021876773 /nfs/dbraw/zinc/87/67/73/1021876773.db2.gz DUBBOKXFIOOEAV-WKDRNLAYSA-N 2 1 375.601 3.610 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)C[NH+]2C1 ZINC001137309288 1021876796 /nfs/dbraw/zinc/87/67/96/1021876796.db2.gz DUBBOKXFIOOEAV-WKDRNLAYSA-N 2 1 375.601 3.610 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)C[NH+]2C1 ZINC001137309288 1021876818 /nfs/dbraw/zinc/87/68/18/1021876818.db2.gz DUBBOKXFIOOEAV-WKDRNLAYSA-N 2 1 375.601 3.610 20 0 GHADMP CCC[N@H+](Cc1nc2c(s1)CCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000678830064 1021930617 /nfs/dbraw/zinc/93/06/17/1021930617.db2.gz HGUVMNLQWDDWBS-UHFFFAOYSA-N 2 1 385.581 3.920 20 0 GHADMP CCC[N@@H+](Cc1nc2c(s1)CCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000678830064 1021930621 /nfs/dbraw/zinc/93/06/21/1021930621.db2.gz HGUVMNLQWDDWBS-UHFFFAOYSA-N 2 1 385.581 3.920 20 0 GHADMP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000679544176 1022012234 /nfs/dbraw/zinc/01/22/34/1022012234.db2.gz GRRUXHIZNNIYCC-VQIMIIECSA-N 2 1 397.485 3.561 20 0 GHADMP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000679544176 1022012246 /nfs/dbraw/zinc/01/22/46/1022012246.db2.gz GRRUXHIZNNIYCC-VQIMIIECSA-N 2 1 397.485 3.561 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(OC)c1O ZINC000679721192 1022042636 /nfs/dbraw/zinc/04/26/36/1022042636.db2.gz JMUGQTSVGMCUSL-QHAWAJNXSA-N 2 1 396.531 3.800 20 0 GHADMP FC1(F)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@]12CCN(c1ccccn1)C2 ZINC001140802782 1022572297 /nfs/dbraw/zinc/57/22/97/1022572297.db2.gz DCDHTXMDAWPWDZ-FQEVSTJZSA-N 2 1 383.446 3.696 20 0 GHADMP FC1(F)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@]12CCN(c1ccccn1)C2 ZINC001140802782 1022572308 /nfs/dbraw/zinc/57/23/08/1022572308.db2.gz DCDHTXMDAWPWDZ-FQEVSTJZSA-N 2 1 383.446 3.696 20 0 GHADMP Fc1cccnc1OC[C@]12CCCO[C@H]1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803948 1022575336 /nfs/dbraw/zinc/57/53/36/1022575336.db2.gz WPEFGOJMFLPCKJ-RBBKRZOGSA-N 2 1 396.466 3.547 20 0 GHADMP Fc1cccnc1OC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803948 1022575344 /nfs/dbraw/zinc/57/53/44/1022575344.db2.gz WPEFGOJMFLPCKJ-RBBKRZOGSA-N 2 1 396.466 3.547 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1nc3ccccc3[nH]1)CC2 ZINC001204759357 1033072983 /nfs/dbraw/zinc/07/29/83/1033072983.db2.gz ADOYRNYZKSYQPY-QGZVFWFLSA-N 2 1 396.560 3.880 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001140971163 1023041807 /nfs/dbraw/zinc/04/18/07/1023041807.db2.gz KFFKXZWDHAZBHQ-QHCPKHFHSA-N 2 1 379.548 3.620 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001140976343 1023061831 /nfs/dbraw/zinc/06/18/31/1023061831.db2.gz LMHVHGRJUUXBFH-PMACEKPBSA-N 2 1 396.966 3.555 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001140976343 1023061839 /nfs/dbraw/zinc/06/18/39/1023061839.db2.gz LMHVHGRJUUXBFH-PMACEKPBSA-N 2 1 396.966 3.555 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001204938314 1033177244 /nfs/dbraw/zinc/17/72/44/1033177244.db2.gz QFAYWCGMCGYFSL-YZGWKJHDSA-N 2 1 399.560 3.710 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001204938314 1033177255 /nfs/dbraw/zinc/17/72/55/1033177255.db2.gz QFAYWCGMCGYFSL-YZGWKJHDSA-N 2 1 399.560 3.710 20 0 GHADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001141189736 1024053766 /nfs/dbraw/zinc/05/37/66/1024053766.db2.gz KLSQEVPMIDVMQF-FCHUYYIVSA-N 2 1 383.580 3.620 20 0 GHADMP CCOC(=O)C[N@H+](CC1CC[NH+](C)CC1)[C@H](C)c1cccc(Br)c1 ZINC001204999409 1033201276 /nfs/dbraw/zinc/20/12/76/1033201276.db2.gz AKLKQRXQKMIETG-OAHLLOKOSA-N 2 1 397.357 3.717 20 0 GHADMP CCOC(=O)C[N@@H+](CC1CC[NH+](C)CC1)[C@H](C)c1cccc(Br)c1 ZINC001204999409 1033201285 /nfs/dbraw/zinc/20/12/85/1033201285.db2.gz AKLKQRXQKMIETG-OAHLLOKOSA-N 2 1 397.357 3.717 20 0 GHADMP CCc1cccc2c(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COC)C3)c[nH]c21 ZINC001138361814 1024726549 /nfs/dbraw/zinc/72/65/49/1024726549.db2.gz ZVJBQRSZFUVDFP-URXFXBBRSA-N 2 1 381.564 3.911 20 0 GHADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)cc2)cc1 ZINC001138517613 1024957709 /nfs/dbraw/zinc/95/77/09/1024957709.db2.gz PFFVHMHWXYXZFY-BJKOFHAPSA-N 2 1 379.548 3.572 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1 ZINC001138543971 1024987311 /nfs/dbraw/zinc/98/73/11/1024987311.db2.gz AHDQBYKKELOFHV-UHFFFAOYSA-N 2 1 382.508 3.670 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1 ZINC001138543971 1024987313 /nfs/dbraw/zinc/98/73/13/1024987313.db2.gz AHDQBYKKELOFHV-UHFFFAOYSA-N 2 1 382.508 3.670 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001138544358 1024988585 /nfs/dbraw/zinc/98/85/85/1024988585.db2.gz GTXPKMNUKAHPHO-AZUAARDMSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC001138544358 1024988610 /nfs/dbraw/zinc/98/86/10/1024988610.db2.gz GTXPKMNUKAHPHO-AZUAARDMSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001138551859 1025006479 /nfs/dbraw/zinc/00/64/79/1025006479.db2.gz OTLCHIYVLBRSMW-JBACZVJFSA-N 2 1 396.535 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001138551859 1025006491 /nfs/dbraw/zinc/00/64/91/1025006491.db2.gz OTLCHIYVLBRSMW-JBACZVJFSA-N 2 1 396.535 3.916 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c[nH]nc4C(C)(C)C)CC3)C2)cc1 ZINC001138579536 1025060575 /nfs/dbraw/zinc/06/05/75/1025060575.db2.gz PYELJTZNZCDZBW-UHFFFAOYSA-N 2 1 396.579 3.883 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001138614697 1025106626 /nfs/dbraw/zinc/10/66/26/1025106626.db2.gz DNWBFJGJCPRVSW-UHFFFAOYSA-N 2 1 384.520 3.679 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001138614697 1025106628 /nfs/dbraw/zinc/10/66/28/1025106628.db2.gz DNWBFJGJCPRVSW-UHFFFAOYSA-N 2 1 384.520 3.679 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCCO3)CC2 ZINC001138716289 1025240168 /nfs/dbraw/zinc/24/01/68/1025240168.db2.gz ZXNFWDLGXLPFIB-NRFANRHFSA-N 2 1 396.531 3.860 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc2ccccc2n1C ZINC001202859394 1025255413 /nfs/dbraw/zinc/25/54/13/1025255413.db2.gz GDRNRXKOKRYJNX-ZJSXRUAMSA-N 2 1 377.532 3.805 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC001138772664 1025343335 /nfs/dbraw/zinc/34/33/35/1025343335.db2.gz UQUIEAIVYGEPKF-QHCPKHFHSA-N 2 1 384.520 3.679 20 0 GHADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138773862 1025346941 /nfs/dbraw/zinc/34/69/41/1025346941.db2.gz QJWPPUIPLZGHDX-JOCHJYFZSA-N 2 1 382.504 3.751 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000832257228 1025379617 /nfs/dbraw/zinc/37/96/17/1025379617.db2.gz FWKHSQXDFCOVJJ-WOJBJXKFSA-N 2 1 379.589 3.831 20 0 GHADMP CCOC(=O)CC(C)(C)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000838881381 1025416761 /nfs/dbraw/zinc/41/67/61/1025416761.db2.gz XSNIRAIAJUINPO-UHFFFAOYSA-N 2 1 375.557 3.856 20 0 GHADMP COc1cccc(C2(Nc3ccc4c(cc(OC)cc4OC)[nH+]3)CC[NH2+]CC2)c1 ZINC001161997817 1025530317 /nfs/dbraw/zinc/53/03/17/1025530317.db2.gz UBUZSERGYQKOEY-UHFFFAOYSA-N 2 1 393.487 3.951 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000839188526 1025706675 /nfs/dbraw/zinc/70/66/75/1025706675.db2.gz IJZAPHLLVLGAKS-RBUKOAKNSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000839188526 1025706690 /nfs/dbraw/zinc/70/66/90/1025706690.db2.gz IJZAPHLLVLGAKS-RBUKOAKNSA-N 2 1 376.545 3.693 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC001461035278 1069350559 /nfs/dbraw/zinc/35/05/59/1069350559.db2.gz NDIZVGINNFXDAB-DQEYMECFSA-N 2 1 377.576 3.902 20 0 GHADMP CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001162737897 1025898362 /nfs/dbraw/zinc/89/83/62/1025898362.db2.gz TXJPDGCISYEARU-HSZRJFAPSA-N 2 1 395.547 3.746 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)OCO2 ZINC001461045949 1069358510 /nfs/dbraw/zinc/35/85/10/1069358510.db2.gz SLHIHIAWJPAZBV-QGZVFWFLSA-N 2 1 382.504 3.946 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)OCO2 ZINC001461045949 1069358523 /nfs/dbraw/zinc/35/85/23/1069358523.db2.gz SLHIHIAWJPAZBV-QGZVFWFLSA-N 2 1 382.504 3.946 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3nccc4ccncc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001162927707 1025970065 /nfs/dbraw/zinc/97/00/65/1025970065.db2.gz DANMVPFJLPRQBI-NRFANRHFSA-N 2 1 387.531 3.544 20 0 GHADMP COc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(C)c1 ZINC001162935271 1025972680 /nfs/dbraw/zinc/97/26/80/1025972680.db2.gz QIAHAUWMZGXZIO-OAQYLSRUSA-N 2 1 379.548 3.917 20 0 GHADMP CN(C)c1cc(F)cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162935250 1025972736 /nfs/dbraw/zinc/97/27/36/1025972736.db2.gz PYANQOZRWOECLT-FQEVSTJZSA-N 2 1 396.554 3.805 20 0 GHADMP CCn1ccc2c1cccc2C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001139154774 1025975542 /nfs/dbraw/zinc/97/55/42/1025975542.db2.gz ZVKOQXDANOZXNA-UHFFFAOYSA-N 2 1 377.536 3.512 20 0 GHADMP Fc1c[nH]c2ncc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc12 ZINC001162940882 1025978000 /nfs/dbraw/zinc/97/80/00/1025978000.db2.gz OGLFXVNJPQOVFB-GOSISDBHSA-N 2 1 393.510 3.616 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000839525089 1026009322 /nfs/dbraw/zinc/00/93/22/1026009322.db2.gz NZHXDTJXKXFQJA-CMKODMSKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000839525089 1026009347 /nfs/dbraw/zinc/00/93/47/1026009347.db2.gz NZHXDTJXKXFQJA-CMKODMSKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000839525089 1026009363 /nfs/dbraw/zinc/00/93/63/1026009363.db2.gz NZHXDTJXKXFQJA-CMKODMSKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000839525089 1026009378 /nfs/dbraw/zinc/00/93/78/1026009378.db2.gz NZHXDTJXKXFQJA-CMKODMSKSA-N 2 1 377.573 3.582 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(NCC[C@H]3C[NH2+]Cc4cccn4C3)c(C)c2)CC1 ZINC001163056183 1026029283 /nfs/dbraw/zinc/02/92/83/1026029283.db2.gz NSXROBMRUKQUKN-IBGZPJMESA-N 2 1 379.552 3.522 20 0 GHADMP CC(C)Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC001461053897 1069363923 /nfs/dbraw/zinc/36/39/23/1069363923.db2.gz QDDCPBKLVNUDGH-UHFFFAOYSA-N 2 1 379.548 3.563 20 0 GHADMP c1ccc(C[N@@H+]2Cc3ccc(NC[C@@H]4CO[C@@]5(C4)CCC[NH2+]C5)cc3C2)cc1 ZINC001163290554 1026128811 /nfs/dbraw/zinc/12/88/11/1026128811.db2.gz JGOABCHKQFHQKT-HYBUGGRVSA-N 2 1 377.532 3.773 20 0 GHADMP C[NH+](C)CC1CCC(Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001163299560 1026131221 /nfs/dbraw/zinc/13/12/21/1026131221.db2.gz ZXAWEMLCLUFHEL-UHFFFAOYSA-N 2 1 379.552 3.567 20 0 GHADMP C[NH+](C)CC1CCC(Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001163299560 1026131233 /nfs/dbraw/zinc/13/12/33/1026131233.db2.gz ZXAWEMLCLUFHEL-UHFFFAOYSA-N 2 1 379.552 3.567 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](c4ccccc4Cl)C3)s2)CC1 ZINC001139324827 1026184681 /nfs/dbraw/zinc/18/46/81/1026184681.db2.gz QQTXODPNFMIVPN-OAHLLOKOSA-N 2 1 376.957 3.538 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](c4ccccc4Cl)C3)s2)CC1 ZINC001139324827 1026184690 /nfs/dbraw/zinc/18/46/90/1026184690.db2.gz QQTXODPNFMIVPN-OAHLLOKOSA-N 2 1 376.957 3.538 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(CCc4ccccc4)CC3)s2)CC1 ZINC001139325020 1026184961 /nfs/dbraw/zinc/18/49/61/1026184961.db2.gz YGEDPHMOJRJASO-UHFFFAOYSA-N 2 1 384.593 3.740 20 0 GHADMP CC1(C)CCC(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC001461065255 1069371641 /nfs/dbraw/zinc/37/16/41/1069371641.db2.gz DYHPQZDHMGPDIL-UHFFFAOYSA-N 2 1 387.568 3.653 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)[C@H]1CO ZINC001139515714 1026373394 /nfs/dbraw/zinc/37/33/94/1026373394.db2.gz WBMWWOVLAHYWCD-OFVILXPXSA-N 2 1 393.575 3.602 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164074710 1026402486 /nfs/dbraw/zinc/40/24/86/1026402486.db2.gz WBAYWWDEZJREFM-CZUORRHYSA-N 2 1 375.586 3.714 20 0 GHADMP C[C@@H]1CC[C@H](C[NH3+])N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC001164077869 1026403253 /nfs/dbraw/zinc/40/32/53/1026403253.db2.gz KVORSYVUHFJFDQ-NVXWUHKLSA-N 2 1 395.576 3.984 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cnc1Cl ZINC001139543435 1026407129 /nfs/dbraw/zinc/40/71/29/1026407129.db2.gz BIEGDUBZUZZKDW-GOSISDBHSA-N 2 1 389.927 3.892 20 0 GHADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc4oc5ccccc5c4c3)CC2)CC1 ZINC001139753947 1026594150 /nfs/dbraw/zinc/59/41/50/1026594150.db2.gz GELJKFAFCYTWIS-UHFFFAOYSA-N 2 1 391.515 3.572 20 0 GHADMP COc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001140059841 1026837996 /nfs/dbraw/zinc/83/79/96/1026837996.db2.gz XKVBAVNBADJZSD-UHFFFAOYSA-N 2 1 390.911 3.809 20 0 GHADMP COc1c(Cl)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001140059841 1026838009 /nfs/dbraw/zinc/83/80/09/1026838009.db2.gz XKVBAVNBADJZSD-UHFFFAOYSA-N 2 1 390.911 3.809 20 0 GHADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001166241048 1026950902 /nfs/dbraw/zinc/95/09/02/1026950902.db2.gz BDASNDDMHUDINH-UHFFFAOYSA-N 2 1 384.487 3.997 20 0 GHADMP Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c2c1 ZINC001166247841 1026952891 /nfs/dbraw/zinc/95/28/91/1026952891.db2.gz LGWRCSZTKMTOFG-SFHVURJKSA-N 2 1 396.579 3.731 20 0 GHADMP Cc1cc(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC001166247841 1026952895 /nfs/dbraw/zinc/95/28/95/1026952895.db2.gz LGWRCSZTKMTOFG-SFHVURJKSA-N 2 1 396.579 3.731 20 0 GHADMP CC(C)(C)c1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)n(Cc2ccccc2)n1 ZINC001210262140 1027410947 /nfs/dbraw/zinc/41/09/47/1027410947.db2.gz TXBXRPIHYIZZIY-UHFFFAOYSA-N 2 1 390.535 3.777 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001461235075 1069455711 /nfs/dbraw/zinc/45/57/11/1069455711.db2.gz PWNSWXZLHKNRBW-SFTDATJTSA-N 2 1 392.465 3.764 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001461235075 1069455718 /nfs/dbraw/zinc/45/57/18/1069455718.db2.gz PWNSWXZLHKNRBW-SFTDATJTSA-N 2 1 392.465 3.764 20 0 GHADMP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001203566288 1027438961 /nfs/dbraw/zinc/43/89/61/1027438961.db2.gz RSBTVCMHBDIGFK-OAHLLOKOSA-N 2 1 378.385 3.945 20 0 GHADMP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001203566288 1027438975 /nfs/dbraw/zinc/43/89/75/1027438975.db2.gz RSBTVCMHBDIGFK-OAHLLOKOSA-N 2 1 378.385 3.945 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203702354 1027542810 /nfs/dbraw/zinc/54/28/10/1027542810.db2.gz YMAOFRPWDZUQAL-HSZRJFAPSA-N 2 1 379.548 3.893 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001203819545 1027632822 /nfs/dbraw/zinc/63/28/22/1027632822.db2.gz XAKHTOSMVFNCAL-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001203945209 1027739428 /nfs/dbraw/zinc/73/94/28/1027739428.db2.gz SRCVJXQUYXKGMS-VSKRKVRLSA-N 2 1 399.579 3.824 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203953897 1027748133 /nfs/dbraw/zinc/74/81/33/1027748133.db2.gz USGFKGVAAVYYET-DHIUTWEWSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203953897 1027748146 /nfs/dbraw/zinc/74/81/46/1027748146.db2.gz USGFKGVAAVYYET-DHIUTWEWSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203953897 1027748157 /nfs/dbraw/zinc/74/81/57/1027748157.db2.gz USGFKGVAAVYYET-DHIUTWEWSA-N 2 1 378.516 3.956 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1 ZINC001203962318 1027758165 /nfs/dbraw/zinc/75/81/65/1027758165.db2.gz QLQIXMCAAXPCML-JOCHJYFZSA-N 2 1 395.547 3.736 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccsc1)CC2 ZINC001204035944 1027826967 /nfs/dbraw/zinc/82/69/67/1027826967.db2.gz CCVFVXPCYFXYNA-KRWDZBQOSA-N 2 1 377.579 3.708 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccsc1)CC2 ZINC001204035944 1027826973 /nfs/dbraw/zinc/82/69/73/1027826973.db2.gz CCVFVXPCYFXYNA-KRWDZBQOSA-N 2 1 377.579 3.708 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000840866927 1027904658 /nfs/dbraw/zinc/90/46/58/1027904658.db2.gz ZXCXYKWVZALNAA-BVYCBKJFSA-N 2 1 381.520 3.607 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000840866927 1027904666 /nfs/dbraw/zinc/90/46/66/1027904666.db2.gz ZXCXYKWVZALNAA-BVYCBKJFSA-N 2 1 381.520 3.607 20 0 GHADMP CCN(C(=O)Nc1cccc(OCC[NH3+])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000841284099 1028368322 /nfs/dbraw/zinc/36/83/22/1028368322.db2.gz COBUFPSONJOOKC-GHTZIAJQSA-N 2 1 396.535 3.713 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cccc(OCC[NH3+])c2)CC1)CC(C)C ZINC000841283176 1028368526 /nfs/dbraw/zinc/36/85/26/1028368526.db2.gz RZIDKAAYDPYNIS-UHFFFAOYSA-N 2 1 390.572 3.636 20 0 GHADMP COc1ccc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cc1O ZINC001461398378 1069533318 /nfs/dbraw/zinc/53/33/18/1069533318.db2.gz DTVNAEUBQWSKGH-KDURUIRLSA-N 2 1 398.547 3.700 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001142360223 1028744932 /nfs/dbraw/zinc/74/49/32/1028744932.db2.gz ZLHWEVWHHAZWHF-DNQXCXABSA-N 2 1 379.548 3.757 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001142360223 1028744948 /nfs/dbraw/zinc/74/49/48/1028744948.db2.gz ZLHWEVWHHAZWHF-DNQXCXABSA-N 2 1 379.548 3.757 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001142360223 1028744962 /nfs/dbraw/zinc/74/49/62/1028744962.db2.gz ZLHWEVWHHAZWHF-DNQXCXABSA-N 2 1 379.548 3.757 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1Br ZINC001461429065 1069545478 /nfs/dbraw/zinc/54/54/78/1069545478.db2.gz CIJQRHDZFMAXAY-LJQANCHMSA-N 2 1 389.337 3.614 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H](C)C1 ZINC000841762796 1028920978 /nfs/dbraw/zinc/92/09/78/1028920978.db2.gz LOJCNMMFNJZRKT-MTQWCTHYSA-N 2 1 397.604 3.501 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001142449164 1028939840 /nfs/dbraw/zinc/93/98/40/1028939840.db2.gz QJOPDZNXZRQNLQ-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001142449164 1028939847 /nfs/dbraw/zinc/93/98/47/1028939847.db2.gz QJOPDZNXZRQNLQ-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP C[C@@]1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898293 1028994324 /nfs/dbraw/zinc/99/43/24/1028994324.db2.gz MCIHYHGIEFYUIZ-VWNXMTODSA-N 2 1 394.563 3.678 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000842479165 1029316286 /nfs/dbraw/zinc/31/62/86/1029316286.db2.gz OVIYBVIGBYEPQS-GMAHTHKFSA-N 2 1 393.531 3.510 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000842703516 1029513783 /nfs/dbraw/zinc/51/37/83/1029513783.db2.gz YVYMHWVRFYYNFC-WGGBDISSSA-N 2 1 394.515 3.624 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000842703516 1029513791 /nfs/dbraw/zinc/51/37/91/1029513791.db2.gz YVYMHWVRFYYNFC-WGGBDISSSA-N 2 1 394.515 3.624 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@@H]21 ZINC001142881146 1029630995 /nfs/dbraw/zinc/63/09/95/1029630995.db2.gz OPQFDXLZTCQNPE-VOQZNFBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@@H]21 ZINC001142881146 1029630998 /nfs/dbraw/zinc/63/09/98/1029630998.db2.gz OPQFDXLZTCQNPE-VOQZNFBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc4[nH]ccc43)C[C@@H]21 ZINC001142881146 1029631001 /nfs/dbraw/zinc/63/10/01/1029631001.db2.gz OPQFDXLZTCQNPE-VOQZNFBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnc4[nH]ccc43)C[C@@H]21 ZINC001142881146 1029631004 /nfs/dbraw/zinc/63/10/04/1029631004.db2.gz OPQFDXLZTCQNPE-VOQZNFBZSA-N 2 1 375.520 3.690 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001142912223 1029678492 /nfs/dbraw/zinc/67/84/92/1029678492.db2.gz YTCKULHLTUWTLH-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001142912223 1029678501 /nfs/dbraw/zinc/67/85/01/1029678501.db2.gz YTCKULHLTUWTLH-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001142912223 1029678508 /nfs/dbraw/zinc/67/85/08/1029678508.db2.gz YTCKULHLTUWTLH-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000843136054 1029820148 /nfs/dbraw/zinc/82/01/48/1029820148.db2.gz OBBNDHQKHUBIEO-KRWDZBQOSA-N 2 1 384.524 3.532 20 0 GHADMP Brc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)co2)cc1 ZINC000843363752 1029942242 /nfs/dbraw/zinc/94/22/42/1029942242.db2.gz OCTMKROFZRJMJY-UHFFFAOYSA-N 2 1 376.298 3.680 20 0 GHADMP COc1ccc(-c2c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cnn2C)cc1 ZINC001222168290 1029985537 /nfs/dbraw/zinc/98/55/37/1029985537.db2.gz ZQGFFEJONCYXPS-HSZRJFAPSA-N 2 1 382.552 3.842 20 0 GHADMP Fc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1OCc1ccccc1 ZINC001222407030 1030111192 /nfs/dbraw/zinc/11/11/92/1030111192.db2.gz ADTKFWNVZPWMCS-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP Clc1cccc2cc(C[N@@H+]3CCOCC4(CC[NH2+]CC4)C3)c(Cl)nc12 ZINC001222407504 1030113229 /nfs/dbraw/zinc/11/32/29/1030113229.db2.gz JSEQOXNIEGXAJN-UHFFFAOYSA-N 2 1 380.319 3.744 20 0 GHADMP Clc1cccc2cc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)c(Cl)nc12 ZINC001222407504 1030113238 /nfs/dbraw/zinc/11/32/38/1030113238.db2.gz JSEQOXNIEGXAJN-UHFFFAOYSA-N 2 1 380.319 3.744 20 0 GHADMP c1cc2cccc(C[N@@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)n2n1 ZINC001222584070 1030211123 /nfs/dbraw/zinc/21/11/23/1030211123.db2.gz QNBBPNPOBUUUBM-QHCPKHFHSA-N 2 1 390.531 3.638 20 0 GHADMP c1cc2cccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)n2n1 ZINC001222584070 1030211137 /nfs/dbraw/zinc/21/11/37/1030211137.db2.gz QNBBPNPOBUUUBM-QHCPKHFHSA-N 2 1 390.531 3.638 20 0 GHADMP COc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(C)n1 ZINC001222590264 1030216829 /nfs/dbraw/zinc/21/68/29/1030216829.db2.gz GPSGCYMGHCFBJS-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(C)n1 ZINC001222590264 1030216839 /nfs/dbraw/zinc/21/68/39/1030216839.db2.gz GPSGCYMGHCFBJS-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP CCOc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222591860 1030219875 /nfs/dbraw/zinc/21/98/75/1030219875.db2.gz ZNJZFLGTHUEJIK-JOCHJYFZSA-N 2 1 395.547 3.784 20 0 GHADMP CCOc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222591860 1030219890 /nfs/dbraw/zinc/21/98/90/1030219890.db2.gz ZNJZFLGTHUEJIK-JOCHJYFZSA-N 2 1 395.547 3.784 20 0 GHADMP CCOC(OCC)c1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222610216 1030234073 /nfs/dbraw/zinc/23/40/73/1030234073.db2.gz VFRIGWCUBYMVHN-JOCHJYFZSA-N 2 1 380.532 3.947 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001222618474 1030242672 /nfs/dbraw/zinc/24/26/72/1030242672.db2.gz SKJUYDOTFDGUPU-PKTZIBPZSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222618474 1030242688 /nfs/dbraw/zinc/24/26/88/1030242688.db2.gz SKJUYDOTFDGUPU-PKTZIBPZSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222618474 1030242707 /nfs/dbraw/zinc/24/27/07/1030242707.db2.gz SKJUYDOTFDGUPU-PKTZIBPZSA-N 2 1 398.595 3.605 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC001222651731 1030260727 /nfs/dbraw/zinc/26/07/27/1030260727.db2.gz RZAYNMXBXVKMFX-VQTJNVASSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001222651731 1030260747 /nfs/dbraw/zinc/26/07/47/1030260747.db2.gz RZAYNMXBXVKMFX-VQTJNVASSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001222651731 1030260759 /nfs/dbraw/zinc/26/07/59/1030260759.db2.gz RZAYNMXBXVKMFX-VQTJNVASSA-N 2 1 388.600 3.981 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150152571 1030429931 /nfs/dbraw/zinc/42/99/31/1030429931.db2.gz AZMHTLXXOBILIW-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001150152571 1030429942 /nfs/dbraw/zinc/42/99/42/1030429942.db2.gz AZMHTLXXOBILIW-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150152571 1030429956 /nfs/dbraw/zinc/42/99/56/1030429956.db2.gz AZMHTLXXOBILIW-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001223089970 1030434422 /nfs/dbraw/zinc/43/44/22/1030434422.db2.gz UBUHKDKDFNNSEP-FCHUYYIVSA-N 2 1 388.600 3.707 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001217967648 1030694112 /nfs/dbraw/zinc/69/41/12/1030694112.db2.gz SJSDWWAXLCTZPU-HSQYWUDLSA-N 2 1 382.504 3.539 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccn2ccnc2c1 ZINC001223748409 1030737089 /nfs/dbraw/zinc/73/70/89/1030737089.db2.gz MHVINAVCMUSRPK-GBESFXJTSA-N 2 1 391.519 3.527 20 0 GHADMP C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1ccn2ccnc2c1 ZINC001223748409 1030737110 /nfs/dbraw/zinc/73/71/10/1030737110.db2.gz MHVINAVCMUSRPK-GBESFXJTSA-N 2 1 391.519 3.527 20 0 GHADMP CC(C)C[C@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001223829805 1030771977 /nfs/dbraw/zinc/77/19/77/1030771977.db2.gz IYWSXBKTGIHJGJ-PZJWPPBQSA-N 2 1 388.600 3.783 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@H]3C[NH2+]CCCO3)c2)CC[N@H+]1C ZINC001218302175 1030878573 /nfs/dbraw/zinc/87/85/73/1030878573.db2.gz PGPKDWJDJRNHMF-QPXUXIHVSA-N 2 1 386.580 3.986 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001224736157 1031094673 /nfs/dbraw/zinc/09/46/73/1031094673.db2.gz VONGDELYEBYISW-HXUWFJFHSA-N 2 1 380.621 3.795 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001224736161 1031095133 /nfs/dbraw/zinc/09/51/33/1031095133.db2.gz VPTQVYICCHUVDE-LJQANCHMSA-N 2 1 380.621 3.650 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)C1 ZINC001218996944 1031202768 /nfs/dbraw/zinc/20/27/68/1031202768.db2.gz QJFPAGKVVTXDQT-RBBKRZOGSA-N 2 1 377.532 3.923 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)C1CCCCC1 ZINC001219023849 1031218470 /nfs/dbraw/zinc/21/84/70/1031218470.db2.gz LMXSVXHBFVECIT-GBXCKJPGSA-N 2 1 399.579 3.938 20 0 GHADMP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219818932 1031633988 /nfs/dbraw/zinc/63/39/88/1031633988.db2.gz UTPHBMVJBOQGTJ-FCEUIQTBSA-N 2 1 397.950 3.771 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219825453 1031638498 /nfs/dbraw/zinc/63/84/98/1031638498.db2.gz KMRAPZKMFVBCQK-OAQYLSRUSA-N 2 1 391.540 3.711 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161715 1031809458 /nfs/dbraw/zinc/80/94/58/1031809458.db2.gz FHXGCLKKXFZPSN-ZCYQVOJMSA-N 2 1 391.559 3.727 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001220161767 1031809778 /nfs/dbraw/zinc/80/97/78/1031809778.db2.gz FUGXURQOWXXYCM-SONWIMMPSA-N 2 1 391.559 3.898 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001220161767 1031809794 /nfs/dbraw/zinc/80/97/94/1031809794.db2.gz FUGXURQOWXXYCM-SONWIMMPSA-N 2 1 391.559 3.898 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161714 1031810321 /nfs/dbraw/zinc/81/03/21/1031810321.db2.gz FHXGCLKKXFZPSN-UKILVPOCSA-N 2 1 391.559 3.727 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc(OC)c1OCc1ccccc1 ZINC001461834168 1069778791 /nfs/dbraw/zinc/77/87/91/1069778791.db2.gz YCFFYYMNDQYFET-PCCBWWKXSA-N 2 1 396.531 3.713 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+]1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001220633370 1032032040 /nfs/dbraw/zinc/03/20/40/1032032040.db2.gz DFVDJSNBJFKAEJ-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001220633370 1032032048 /nfs/dbraw/zinc/03/20/48/1032032048.db2.gz DFVDJSNBJFKAEJ-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001220633370 1032032053 /nfs/dbraw/zinc/03/20/53/1032032053.db2.gz DFVDJSNBJFKAEJ-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC001220645579 1032042296 /nfs/dbraw/zinc/04/22/96/1032042296.db2.gz WPHLGIWXTOZNTN-FQEVSTJZSA-N 2 1 386.584 3.512 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001226618993 1032047809 /nfs/dbraw/zinc/04/78/09/1032047809.db2.gz HQBVFUNOIUQRLY-HXUWFJFHSA-N 2 1 394.991 3.772 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001226618991 1032048516 /nfs/dbraw/zinc/04/85/16/1032048516.db2.gz HQBVFUNOIUQRLY-FQEVSTJZSA-N 2 1 394.991 3.772 20 0 GHADMP CN(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@@]1(C)CCC[NH2+]C1 ZINC001156977149 1033351174 /nfs/dbraw/zinc/35/11/74/1033351174.db2.gz QDUFNKHQEIRMPZ-QFIPXVFZSA-N 2 1 399.608 3.744 20 0 GHADMP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@@]1(C)CCC[NH2+]C1 ZINC001156978193 1033353864 /nfs/dbraw/zinc/35/38/64/1033353864.db2.gz ZDLMXHXDYABLIK-QFIPXVFZSA-N 2 1 395.576 3.998 20 0 GHADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001205389068 1033390286 /nfs/dbraw/zinc/39/02/86/1033390286.db2.gz RRDXETJHJNYACJ-YADARESESA-N 2 1 389.543 3.912 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)[NH+](CC)CC)cc1 ZINC001229303808 1033404360 /nfs/dbraw/zinc/40/43/60/1033404360.db2.gz UZKHKZDHYCQLCY-FGZHOGPDSA-N 2 1 388.600 3.758 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)[NH+](CC)CC)cc1 ZINC001229303809 1033404604 /nfs/dbraw/zinc/40/46/04/1033404604.db2.gz UZKHKZDHYCQLCY-VXKWHMMOSA-N 2 1 388.600 3.758 20 0 GHADMP CCOc1ccc(Br)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205591176 1033483115 /nfs/dbraw/zinc/48/31/15/1033483115.db2.gz GFDGAJHGOGAZGG-INIZCTEOSA-N 2 1 377.273 3.640 20 0 GHADMP CCOc1ccc(Br)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1F ZINC001205591176 1033483113 /nfs/dbraw/zinc/48/31/13/1033483113.db2.gz GFDGAJHGOGAZGG-INIZCTEOSA-N 2 1 377.273 3.640 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1 ZINC001205678673 1033526454 /nfs/dbraw/zinc/52/64/54/1033526454.db2.gz RWNWUKBKRQTUMH-LJQANCHMSA-N 2 1 391.556 3.552 20 0 GHADMP CC(C)(C)[C@@]1(C[N@@H+]2CCO[C@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001205753386 1033559390 /nfs/dbraw/zinc/55/93/90/1033559390.db2.gz VHBKTPRAPJWKKJ-BJKOFHAPSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCO[C@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001205753386 1033559399 /nfs/dbraw/zinc/55/93/99/1033559399.db2.gz VHBKTPRAPJWKKJ-BJKOFHAPSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCO[C@]3(CCCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001205753386 1033559405 /nfs/dbraw/zinc/55/94/05/1033559405.db2.gz VHBKTPRAPJWKKJ-BJKOFHAPSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCO[C@]3(CCCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001205753386 1033559409 /nfs/dbraw/zinc/55/94/09/1033559409.db2.gz VHBKTPRAPJWKKJ-BJKOFHAPSA-N 2 1 386.580 3.806 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001229569691 1033562767 /nfs/dbraw/zinc/56/27/67/1033562767.db2.gz NGIRUHSWQLQMKC-FQEVSTJZSA-N 2 1 388.600 3.758 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001229569691 1033562771 /nfs/dbraw/zinc/56/27/71/1033562771.db2.gz NGIRUHSWQLQMKC-FQEVSTJZSA-N 2 1 388.600 3.758 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246524262 1033697971 /nfs/dbraw/zinc/69/79/71/1033697971.db2.gz FVJXWCVRMABRCE-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3OCCC[C@H]3C2)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246524262 1033697978 /nfs/dbraw/zinc/69/79/78/1033697978.db2.gz FVJXWCVRMABRCE-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3OCCC[C@H]3C2)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246524262 1033697983 /nfs/dbraw/zinc/69/79/83/1033697983.db2.gz FVJXWCVRMABRCE-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CC[C@H]1F ZINC001206176390 1033754086 /nfs/dbraw/zinc/75/40/86/1033754086.db2.gz ZNHSNCDFYGWOAX-CVEARBPZSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CC[C@H]1F ZINC001206176390 1033754101 /nfs/dbraw/zinc/75/41/01/1033754101.db2.gz ZNHSNCDFYGWOAX-CVEARBPZSA-N 2 1 378.289 3.772 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)ccc1-2 ZINC001206197800 1033761329 /nfs/dbraw/zinc/76/13/29/1033761329.db2.gz JKECBWCTKRLYLY-WOJBJXKFSA-N 2 1 376.472 3.735 20 0 GHADMP Cc1nc2c(c(OC3CCC([NH+](C)C)CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229896479 1033780502 /nfs/dbraw/zinc/78/05/02/1033780502.db2.gz PRSOTLVUSYIBDZ-UHFFFAOYSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(OC3CCC([NH+](C)C)CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229896479 1033780511 /nfs/dbraw/zinc/78/05/11/1033780511.db2.gz PRSOTLVUSYIBDZ-UHFFFAOYSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001158032935 1033873867 /nfs/dbraw/zinc/87/38/67/1033873867.db2.gz YENNMCFRBQGTGY-UKILVPOCSA-N 2 1 397.607 3.979 20 0 GHADMP c1ccc(CO[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206723386 1033958561 /nfs/dbraw/zinc/95/85/61/1033958561.db2.gz YXUBVRLQNOJYNW-XMMPIXPASA-N 2 1 380.532 3.700 20 0 GHADMP c1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206723386 1033958564 /nfs/dbraw/zinc/95/85/64/1033958564.db2.gz YXUBVRLQNOJYNW-XMMPIXPASA-N 2 1 380.532 3.700 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](CC(C)(C)CN(C)C)CC3)c1 ZINC001207280370 1034232939 /nfs/dbraw/zinc/23/29/39/1034232939.db2.gz QCNJCNCFMNQLTC-UHFFFAOYSA-N 2 1 387.612 3.961 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207289311 1034240641 /nfs/dbraw/zinc/24/06/41/1034240641.db2.gz KKLZRDNOSOKRJE-YADHBBJMSA-N 2 1 399.579 3.840 20 0 GHADMP O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291205 1034241989 /nfs/dbraw/zinc/24/19/89/1034241989.db2.gz MGYZXEUADYGHEY-RUZDIDTESA-N 2 1 395.591 3.623 20 0 GHADMP c1ccc(CN2C[C@@H]3C[NH+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@H]3C2)cc1 ZINC001207291878 1034243626 /nfs/dbraw/zinc/24/36/26/1034243626.db2.gz DURIZODZOUAJEC-CLJLJLNGSA-N 2 1 389.587 3.962 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001207292213 1034244238 /nfs/dbraw/zinc/24/42/38/1034244238.db2.gz ALKRIJACINGFHH-QHCPKHFHSA-N 2 1 378.516 3.671 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001230895016 1034277236 /nfs/dbraw/zinc/27/72/36/1034277236.db2.gz FBPYTGOMKKKQEI-OAQYLSRUSA-N 2 1 394.563 3.538 20 0 GHADMP Brc1ccc(Br)c(C[NH2+]C[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001207723579 1034543528 /nfs/dbraw/zinc/54/35/28/1034543528.db2.gz LZFWPIUIMIWQNZ-CYBMUJFWSA-N 2 1 388.147 3.643 20 0 GHADMP CC[N@@H+](C)C1CC[NH+](CC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207809759 1034588365 /nfs/dbraw/zinc/58/83/65/1034588365.db2.gz ZFMNGKFRSUKGDA-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001207822599 1034599288 /nfs/dbraw/zinc/59/92/88/1034599288.db2.gz OPYOCHHRKNLWQO-IRXDYDNUSA-N 2 1 389.531 3.542 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001207822599 1034599296 /nfs/dbraw/zinc/59/92/96/1034599296.db2.gz OPYOCHHRKNLWQO-IRXDYDNUSA-N 2 1 389.531 3.542 20 0 GHADMP C[NH+]1CCC(CN2CC[NH+](CCCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001207848210 1034621810 /nfs/dbraw/zinc/62/18/10/1034621810.db2.gz JBIISZCSJMMCKX-UHFFFAOYSA-N 2 1 383.502 3.597 20 0 GHADMP C[C@H](Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)[C@H]1C[NH2+]CCO1 ZINC001159500380 1034621927 /nfs/dbraw/zinc/62/19/27/1034621927.db2.gz CLENLQYOTBPVNQ-LAUBAEHRSA-N 2 1 399.498 3.876 20 0 GHADMP CCc1nc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc(C)[nH+]1 ZINC001159520611 1034636276 /nfs/dbraw/zinc/63/62/76/1034636276.db2.gz QMEPZQPDLLIHQR-JOCHJYFZSA-N 2 1 390.531 3.823 20 0 GHADMP C[C@@H](C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1)c1ccccc1 ZINC001207906748 1034649358 /nfs/dbraw/zinc/64/93/58/1034649358.db2.gz ODIFEFDNXUNRRN-NZQKXSOJSA-N 2 1 379.548 3.941 20 0 GHADMP C[C@@H](C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1)c1ccccc1 ZINC001207906750 1034649802 /nfs/dbraw/zinc/64/98/02/1034649802.db2.gz ODIFEFDNXUNRRN-REWPJTCUSA-N 2 1 379.548 3.941 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231505961 1034650488 /nfs/dbraw/zinc/65/04/88/1034650488.db2.gz WMVQNGZRGKXFPM-DHIUTWEWSA-N 2 1 380.532 3.666 20 0 GHADMP C[C@H](C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2)c1ccccc1 ZINC001207907909 1034651579 /nfs/dbraw/zinc/65/15/79/1034651579.db2.gz YKVFHQHGZSHDFZ-OAQYLSRUSA-N 2 1 379.548 3.800 20 0 GHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)cc1 ZINC001207939057 1034667825 /nfs/dbraw/zinc/66/78/25/1034667825.db2.gz DOUNHGZRKCVNMT-IBGZPJMESA-N 2 1 396.579 3.513 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001208107451 1034739594 /nfs/dbraw/zinc/73/95/94/1034739594.db2.gz NYWABLNDTNFVMG-UHFFFAOYSA-N 2 1 398.576 3.528 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CC[C@@H](C)SC)CC3)C2)c1 ZINC001208143046 1034754302 /nfs/dbraw/zinc/75/43/02/1034754302.db2.gz JQMOBUDWMVAJPJ-GOSISDBHSA-N 2 1 378.582 3.504 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CC[C@@H](C)SC)CC3)C2)c1 ZINC001208143046 1034754315 /nfs/dbraw/zinc/75/43/15/1034754315.db2.gz JQMOBUDWMVAJPJ-GOSISDBHSA-N 2 1 378.582 3.504 20 0 GHADMP Cc1ccc([C@@H](C)CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)o1 ZINC001208154353 1034758743 /nfs/dbraw/zinc/75/87/43/1034758743.db2.gz GWJVMUFUCMUWIQ-NRDMVMEKSA-N 2 1 385.556 3.547 20 0 GHADMP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)o1 ZINC001208154353 1034758755 /nfs/dbraw/zinc/75/87/55/1034758755.db2.gz GWJVMUFUCMUWIQ-NRDMVMEKSA-N 2 1 385.556 3.547 20 0 GHADMP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)o1 ZINC001208154353 1034758762 /nfs/dbraw/zinc/75/87/62/1034758762.db2.gz GWJVMUFUCMUWIQ-NRDMVMEKSA-N 2 1 385.556 3.547 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](CC3(C[NH+](C)C)CCCC3)C[C@H]21 ZINC001208184707 1034781083 /nfs/dbraw/zinc/78/10/83/1034781083.db2.gz OMIMFOGHMNSDTA-QUCCMNQESA-N 2 1 396.554 3.920 20 0 GHADMP CC/C=C\CCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001208191147 1034786331 /nfs/dbraw/zinc/78/63/31/1034786331.db2.gz RHWBGSDMAOOOLX-XITJDGKESA-N 2 1 377.617 3.774 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208585574 1034942684 /nfs/dbraw/zinc/94/26/84/1034942684.db2.gz MFLKKQBRACHFKZ-DQEYMECFSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208585574 1034942690 /nfs/dbraw/zinc/94/26/90/1034942690.db2.gz MFLKKQBRACHFKZ-DQEYMECFSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208585574 1034942695 /nfs/dbraw/zinc/94/26/95/1034942695.db2.gz MFLKKQBRACHFKZ-DQEYMECFSA-N 2 1 399.623 3.864 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001208603224 1034952353 /nfs/dbraw/zinc/95/23/53/1034952353.db2.gz WQOCXBKQHFMBOT-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001208760322 1035004538 /nfs/dbraw/zinc/00/45/38/1035004538.db2.gz DOWNLOZPGUSNQD-DEOSSOPVSA-N 2 1 380.532 3.844 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001208760322 1035004546 /nfs/dbraw/zinc/00/45/46/1035004546.db2.gz DOWNLOZPGUSNQD-DEOSSOPVSA-N 2 1 380.532 3.844 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001208760322 1035004555 /nfs/dbraw/zinc/00/45/55/1035004555.db2.gz DOWNLOZPGUSNQD-DEOSSOPVSA-N 2 1 380.532 3.844 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5c[nH]nc54)CC3)C2)cc1 ZINC001231971532 1035016252 /nfs/dbraw/zinc/01/62/52/1035016252.db2.gz OAJNDZLKLNJLDQ-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208826208 1035043507 /nfs/dbraw/zinc/04/35/07/1035043507.db2.gz UQABOXSESPDFPD-HXUWFJFHSA-N 2 1 395.385 3.957 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208826208 1035043511 /nfs/dbraw/zinc/04/35/11/1035043511.db2.gz UQABOXSESPDFPD-HXUWFJFHSA-N 2 1 395.385 3.957 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H](C)C(F)(F)F)CC2 ZINC001208888284 1035076230 /nfs/dbraw/zinc/07/62/30/1035076230.db2.gz PAZDDMZEGPKOEL-LSDHHAIUSA-N 2 1 391.503 3.644 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ccncc3[nH]1)CC2 ZINC001232094814 1035091845 /nfs/dbraw/zinc/09/18/45/1035091845.db2.gz JYQUYVMOUAAMOW-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP COCC[N@H+](Cc1ccc2cc(Br)ccc2n1)C1CCN(C)CC1 ZINC001232104387 1035096390 /nfs/dbraw/zinc/09/63/90/1035096390.db2.gz VCSJBYBPDLWEBC-UHFFFAOYSA-N 2 1 392.341 3.540 20 0 GHADMP COCC[N@@H+](Cc1ccc2cc(Br)ccc2n1)C1CCN(C)CC1 ZINC001232104387 1035096391 /nfs/dbraw/zinc/09/63/91/1035096391.db2.gz VCSJBYBPDLWEBC-UHFFFAOYSA-N 2 1 392.341 3.540 20 0 GHADMP O=C1N(CC2CC2)CC[C@]12CCCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934615 1035099042 /nfs/dbraw/zinc/09/90/42/1035099042.db2.gz JZIVSIZIDZBOKZ-ZCYQVOJMSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@]12CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208934615 1035099067 /nfs/dbraw/zinc/09/90/67/1035099067.db2.gz JZIVSIZIDZBOKZ-ZCYQVOJMSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@]12CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934615 1035099074 /nfs/dbraw/zinc/09/90/74/1035099074.db2.gz JZIVSIZIDZBOKZ-ZCYQVOJMSA-N 2 1 395.591 3.623 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](CCOc4ccccc4)CC3)C2)cc1 ZINC001208934810 1035100395 /nfs/dbraw/zinc/10/03/95/1035100395.db2.gz HDPLYUHYJCCPJJ-DEOSSOPVSA-N 2 1 393.575 3.595 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](CCOc4ccccc4)CC3)C2)cc1 ZINC001208934810 1035100401 /nfs/dbraw/zinc/10/04/01/1035100401.db2.gz HDPLYUHYJCCPJJ-DEOSSOPVSA-N 2 1 393.575 3.595 20 0 GHADMP CN(C)C(=O)N1CCCC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208935936 1035101475 /nfs/dbraw/zinc/10/14/75/1035101475.db2.gz QLUUKYYFWRMVDO-QFIPXVFZSA-N 2 1 398.595 3.511 20 0 GHADMP C[C@@](O)(C1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC001208938691 1035106976 /nfs/dbraw/zinc/10/69/76/1035106976.db2.gz DCTGZQGWDQJBOR-UYAOXDASSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@](O)(C1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC001208938691 1035106980 /nfs/dbraw/zinc/10/69/80/1035106980.db2.gz DCTGZQGWDQJBOR-UYAOXDASSA-N 2 1 384.486 3.924 20 0 GHADMP O=C1CC2(CN1CC1CC1)CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941922 1035111162 /nfs/dbraw/zinc/11/11/62/1035111162.db2.gz FCHYWQHUISUUBQ-HSZRJFAPSA-N 2 1 395.591 3.623 20 0 GHADMP Cc1cncnc1OC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208943593 1035113928 /nfs/dbraw/zinc/11/39/28/1035113928.db2.gz MEQVUESXQMODLC-NRFANRHFSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@H]1CC[NH+](Cc3ccccc3)C1)[C@H]2C ZINC001208948662 1035119563 /nfs/dbraw/zinc/11/95/63/1035119563.db2.gz YNAJNUXFUBMVFY-UNMCSNQZSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)[C@H]2C ZINC001208948662 1035119568 /nfs/dbraw/zinc/11/95/68/1035119568.db2.gz YNAJNUXFUBMVFY-UNMCSNQZSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)[C@H]2C ZINC001208948662 1035119573 /nfs/dbraw/zinc/11/95/73/1035119573.db2.gz YNAJNUXFUBMVFY-UNMCSNQZSA-N 2 1 395.595 3.622 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208951276 1035122316 /nfs/dbraw/zinc/12/23/16/1035122316.db2.gz AYPBGJFYYATDGR-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208951276 1035122319 /nfs/dbraw/zinc/12/23/19/1035122319.db2.gz AYPBGJFYYATDGR-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208951276 1035122322 /nfs/dbraw/zinc/12/23/22/1035122322.db2.gz AYPBGJFYYATDGR-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208951276 1035122324 /nfs/dbraw/zinc/12/23/24/1035122324.db2.gz AYPBGJFYYATDGR-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP CCOC[C@H]1COCCC12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208951957 1035124093 /nfs/dbraw/zinc/12/40/93/1035124093.db2.gz ONQJKHTYGZFRRG-GOTSBHOMSA-N 2 1 386.580 3.664 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232147802 1035126283 /nfs/dbraw/zinc/12/62/83/1035126283.db2.gz LMOQMKSTVDALOW-IBGZPJMESA-N 2 1 379.520 3.719 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232147948 1035126647 /nfs/dbraw/zinc/12/66/47/1035126647.db2.gz USRFHXLXYZSTCS-UHFFFAOYSA-N 2 1 391.531 3.720 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232148594 1035126702 /nfs/dbraw/zinc/12/67/02/1035126702.db2.gz RLVCCGZCZPPNPE-NRFANRHFSA-N 2 1 387.524 3.578 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)[C@@H]3C2)cc1 ZINC001208960162 1035131019 /nfs/dbraw/zinc/13/10/19/1035131019.db2.gz USRRMYFILXTILA-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001208960162 1035131022 /nfs/dbraw/zinc/13/10/22/1035131022.db2.gz USRRMYFILXTILA-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001208960162 1035131025 /nfs/dbraw/zinc/13/10/25/1035131025.db2.gz USRRMYFILXTILA-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1)c1cccc(F)c1 ZINC001208960297 1035131715 /nfs/dbraw/zinc/13/17/15/1035131715.db2.gz VPQWWLPESKHAMA-NFBKMPQASA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1)c1cccc(F)c1 ZINC001208960297 1035131719 /nfs/dbraw/zinc/13/17/19/1035131719.db2.gz VPQWWLPESKHAMA-NFBKMPQASA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1)c1cccc(F)c1 ZINC001208960297 1035131724 /nfs/dbraw/zinc/13/17/24/1035131724.db2.gz VPQWWLPESKHAMA-NFBKMPQASA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1)c1cccc(F)c1 ZINC001208960297 1035131736 /nfs/dbraw/zinc/13/17/36/1035131736.db2.gz VPQWWLPESKHAMA-NFBKMPQASA-N 2 1 395.522 3.542 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(NC2CC[NH+](CC3CCOCC3)CC2)nc1 ZINC001161216145 1035183106 /nfs/dbraw/zinc/18/31/06/1035183106.db2.gz CUTSFUGBDQFFEX-QFIPXVFZSA-N 2 1 386.584 3.931 20 0 GHADMP CN(CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001209138760 1035189784 /nfs/dbraw/zinc/18/97/84/1035189784.db2.gz BTRQHMIKGDQURY-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001209138760 1035189789 /nfs/dbraw/zinc/18/97/89/1035189789.db2.gz BTRQHMIKGDQURY-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@@H](C)O1 ZINC001209381071 1035264032 /nfs/dbraw/zinc/26/40/32/1035264032.db2.gz ODGRHBSDDACIKI-QZTJIDSGSA-N 2 1 378.582 3.619 20 0 GHADMP CC[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459865 1035279831 /nfs/dbraw/zinc/27/98/31/1035279831.db2.gz APEPKRTYDAKOJI-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459865 1035279833 /nfs/dbraw/zinc/27/98/33/1035279833.db2.gz APEPKRTYDAKOJI-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459865 1035279835 /nfs/dbraw/zinc/27/98/35/1035279835.db2.gz APEPKRTYDAKOJI-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459865 1035279837 /nfs/dbraw/zinc/27/98/37/1035279837.db2.gz APEPKRTYDAKOJI-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP c1cc(-c2noc(C3CCC4(CC[NH2+]CC4)CC3)n2)ccc1C[NH+]1CCOCC1 ZINC001248319960 1035750714 /nfs/dbraw/zinc/75/07/14/1035750714.db2.gz VJMNXJRUYHTZOF-UHFFFAOYSA-N 2 1 396.535 3.596 20 0 GHADMP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462014668 1069946514 /nfs/dbraw/zinc/94/65/14/1069946514.db2.gz QVPNAYIRSBJEIH-RYUZMLRSSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001462014668 1069946519 /nfs/dbraw/zinc/94/65/19/1069946519.db2.gz QVPNAYIRSBJEIH-RYUZMLRSSA-N 2 1 385.596 3.520 20 0 GHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC001248536110 1035941182 /nfs/dbraw/zinc/94/11/82/1035941182.db2.gz DFNZBJVOIYPSEC-ZRCGQRJVSA-N 2 1 396.579 3.806 20 0 GHADMP COCC[N@H+](Cc1cnc2cc(Br)ccc2c1)C1CCN(C)CC1 ZINC001248866480 1036212018 /nfs/dbraw/zinc/21/20/18/1036212018.db2.gz DFQRMHXKYDLNMV-UHFFFAOYSA-N 2 1 392.341 3.540 20 0 GHADMP COCC[N@@H+](Cc1cnc2cc(Br)ccc2c1)C1CCN(C)CC1 ZINC001248866480 1036212031 /nfs/dbraw/zinc/21/20/31/1036212031.db2.gz DFQRMHXKYDLNMV-UHFFFAOYSA-N 2 1 392.341 3.540 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001278379163 1036446001 /nfs/dbraw/zinc/44/60/01/1036446001.db2.gz UFAGRSUYCFWLNF-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP Cc1ccc(Cl)cc1NC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001245148256 1036784483 /nfs/dbraw/zinc/78/44/83/1036784483.db2.gz LLDWKVJXCFIFIN-UHFFFAOYSA-N 2 1 375.929 3.604 20 0 GHADMP COc1ccc(C[NH+]2CCN(C)CC2)cc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001245526645 1036945094 /nfs/dbraw/zinc/94/50/94/1036945094.db2.gz NOHDZAKOPQOOTA-UHFFFAOYSA-N 2 1 379.548 3.577 20 0 GHADMP O[C@H](C[NH2+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246011585 1037132120 /nfs/dbraw/zinc/13/21/20/1037132120.db2.gz WYUUMTNJOVPMIH-GOSISDBHSA-N 2 1 382.401 3.746 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246020503 1037138132 /nfs/dbraw/zinc/13/81/32/1037138132.db2.gz CFZWMCNAEKNUEN-KOSHJBKYSA-N 2 1 393.531 3.526 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246034469 1037149029 /nfs/dbraw/zinc/14/90/29/1037149029.db2.gz PUBVTARGYHPVOU-QFIPXVFZSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246034469 1037149049 /nfs/dbraw/zinc/14/90/49/1037149049.db2.gz PUBVTARGYHPVOU-QFIPXVFZSA-N 2 1 394.987 3.504 20 0 GHADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246054368 1037167725 /nfs/dbraw/zinc/16/77/25/1037167725.db2.gz YLEUNMZAQDGTGV-QUMGSSFMSA-N 2 1 384.523 3.794 20 0 GHADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246054368 1037167732 /nfs/dbraw/zinc/16/77/32/1037167732.db2.gz YLEUNMZAQDGTGV-QUMGSSFMSA-N 2 1 384.523 3.794 20 0 GHADMP C[N@@H+](CC[C@@H](c1cccs1)c1ccc(O)c2ccccc21)C[C@@]1(O)CC[NH2+]C1 ZINC001246054564 1037167764 /nfs/dbraw/zinc/16/77/64/1037167764.db2.gz JVXDYCVEBBKSHE-NFBKMPQASA-N 2 1 396.556 3.785 20 0 GHADMP CC(C)C[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067290 1037180168 /nfs/dbraw/zinc/18/01/68/1037180168.db2.gz DBTIJHKVQWRNAI-NJDAHSKKSA-N 2 1 376.585 3.952 20 0 GHADMP Cc1cc(F)cc(C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001246071343 1037185964 /nfs/dbraw/zinc/18/59/64/1037185964.db2.gz YVJLENRJCOMLCI-NRFANRHFSA-N 2 1 378.438 3.700 20 0 GHADMP Cc1cc(F)cc(C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001246071343 1037185966 /nfs/dbraw/zinc/18/59/66/1037185966.db2.gz YVJLENRJCOMLCI-NRFANRHFSA-N 2 1 378.438 3.700 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N[C@H]3C[NH2+]CCOC3)CC2)cc1 ZINC001246092796 1037193815 /nfs/dbraw/zinc/19/38/15/1037193815.db2.gz KFDBMCNDEJGYJM-BQCMWAFGSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@H]1C[NH2+]C[C@@H]1N[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246105574 1037195899 /nfs/dbraw/zinc/19/58/99/1037195899.db2.gz BRFVQBZASMPEGD-MBDAMEABSA-N 2 1 389.587 3.949 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246122455 1037200675 /nfs/dbraw/zinc/20/06/75/1037200675.db2.gz QSNYZPAYRKGCNK-CTNGQTDRSA-N 3 1 389.653 3.998 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](NCc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246165935 1037220053 /nfs/dbraw/zinc/22/00/53/1037220053.db2.gz MGRXJTJYJOVBMM-UNMCSNQZSA-N 2 1 382.527 3.579 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246165935 1037220073 /nfs/dbraw/zinc/22/00/73/1037220073.db2.gz MGRXJTJYJOVBMM-UNMCSNQZSA-N 3 1 382.527 3.579 20 0 GHADMP [NH3+][C@H]1C[C@H](N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189593 1037230153 /nfs/dbraw/zinc/23/01/53/1037230153.db2.gz OEGATVRUVRQQOK-AMGAHSPLSA-N 3 1 375.560 3.831 20 0 GHADMP CC1(C)C[C@H](N[C@H](C2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246195892 1037230991 /nfs/dbraw/zinc/23/09/91/1037230991.db2.gz USFOALAIDPFLNR-RTBURBONSA-N 2 1 383.502 3.950 20 0 GHADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001246203794 1037237213 /nfs/dbraw/zinc/23/72/13/1037237213.db2.gz VCJKDBBYOBRQLE-SFHVURJKSA-N 2 1 395.975 3.738 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CC[NH2+]C(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246254491 1037256860 /nfs/dbraw/zinc/25/68/60/1037256860.db2.gz HXMONLKTFSBMGL-RBBKRZOGSA-N 2 1 396.531 3.990 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256114 1037257018 /nfs/dbraw/zinc/25/70/18/1037257018.db2.gz MTJFSGVGHLYMBL-NQSCKRDGSA-N 2 1 382.504 3.600 20 0 GHADMP COC(=O)c1cccc2c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccnc12 ZINC001462176648 1070054881 /nfs/dbraw/zinc/05/48/81/1070054881.db2.gz PUXCPLFRODEGPP-LJQANCHMSA-N 2 1 389.499 3.633 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3F)C2)CC[NH2+]1 ZINC001246362447 1037322365 /nfs/dbraw/zinc/32/23/65/1037322365.db2.gz SSAYPZQHAASCJW-MIZPHKNDSA-N 2 1 385.502 3.930 20 0 GHADMP CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246362233 1037322733 /nfs/dbraw/zinc/32/27/33/1037322733.db2.gz QWYHFHGLFCLNHA-PMACEKPBSA-N 2 1 394.401 3.781 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1C(F)(F)F ZINC001246367564 1037327654 /nfs/dbraw/zinc/32/76/54/1037327654.db2.gz ABSNQAKUUSBZRA-YJBOKZPZSA-N 2 1 388.474 3.987 20 0 GHADMP Clc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH2+]CC1 ZINC001246380112 1037339538 /nfs/dbraw/zinc/33/95/38/1037339538.db2.gz DXBRLUQSIUZHMU-SEJPIABJSA-N 2 1 387.999 4.000 20 0 GHADMP CCCN1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246388107 1037347560 /nfs/dbraw/zinc/34/75/60/1037347560.db2.gz SLKPWESUWDSUEX-UHFFFAOYSA-N 2 1 383.502 3.791 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC[NH2+]1 ZINC001246389599 1037349599 /nfs/dbraw/zinc/34/95/99/1037349599.db2.gz OFOWAGJIWVFTHN-RBUKOAKNSA-N 2 1 381.499 3.792 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001246420806 1037376725 /nfs/dbraw/zinc/37/67/25/1037376725.db2.gz HGKKPUSZODCMLD-HNNXBMFYSA-N 2 1 386.458 3.994 20 0 GHADMP FC(F)(F)c1ccccc1C1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246454006 1037413443 /nfs/dbraw/zinc/41/34/43/1037413443.db2.gz ZJCNIKHWZUDAFF-LPHOPBHVSA-N 2 1 381.486 3.796 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246479077 1037426432 /nfs/dbraw/zinc/42/64/32/1037426432.db2.gz RDXIZBRCIQOMOQ-UXHICEINSA-N 2 1 386.561 3.920 20 0 GHADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001246498650 1037441825 /nfs/dbraw/zinc/44/18/25/1037441825.db2.gz WMHRJQKNPWEQDL-UHFFFAOYSA-N 2 1 377.573 3.556 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1ccc(Br)cc1 ZINC001246503094 1037445816 /nfs/dbraw/zinc/44/58/16/1037445816.db2.gz XRCBUCPDYOXDGC-IXDOHACOSA-N 2 1 397.357 3.810 20 0 GHADMP C[C@@H]1CN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001246533300 1037467461 /nfs/dbraw/zinc/46/74/61/1037467461.db2.gz MHWIQZXXBUXKGR-RRJCBXKSSA-N 2 1 377.576 3.945 20 0 GHADMP Brc1ccccc1[C@@H]1CCC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246538076 1037470039 /nfs/dbraw/zinc/47/00/39/1037470039.db2.gz AMBJMIXNWPBXDK-OBONGRFPSA-N 2 1 379.342 3.887 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001246580530 1037485779 /nfs/dbraw/zinc/48/57/79/1037485779.db2.gz WYPZUZGWBNORAN-LJQANCHMSA-N 2 1 380.374 3.869 20 0 GHADMP CCCN1CCC([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246618731 1037508848 /nfs/dbraw/zinc/50/88/48/1037508848.db2.gz KHGKMDMILNFUMH-QHCPKHFHSA-N 2 1 385.596 3.664 20 0 GHADMP CCCN1CCC([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246618731 1037508863 /nfs/dbraw/zinc/50/88/63/1037508863.db2.gz KHGKMDMILNFUMH-QHCPKHFHSA-N 2 1 385.596 3.664 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246624297 1037512181 /nfs/dbraw/zinc/51/21/81/1037512181.db2.gz OYRFSDAUAXPTCP-VJBWXMMDSA-N 3 1 399.623 3.957 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246624297 1037512205 /nfs/dbraw/zinc/51/22/05/1037512205.db2.gz OYRFSDAUAXPTCP-VJBWXMMDSA-N 3 1 399.623 3.957 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3c(F)cccc3C1)CC2 ZINC001246630975 1037517808 /nfs/dbraw/zinc/51/78/08/1037517808.db2.gz MYORLAVMTMOCAR-IBGZPJMESA-N 2 1 380.507 3.829 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCCC[C@]34CC[NH2+]C4)CC[C@H]2C1 ZINC001246642758 1037524396 /nfs/dbraw/zinc/52/43/96/1037524396.db2.gz JMMZUQRKHXUKMW-GRSYGWAWSA-N 2 1 381.564 3.535 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCCC[C@]34CC[NH2+]C4)CC[C@H]2C1 ZINC001246642763 1037526540 /nfs/dbraw/zinc/52/65/40/1037526540.db2.gz JMMZUQRKHXUKMW-ZPFZUWPUSA-N 2 1 381.564 3.535 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246675104 1037539518 /nfs/dbraw/zinc/53/95/18/1037539518.db2.gz VXPBOUDXBMSHLP-TZBSWOFLSA-N 2 1 392.543 3.990 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677543 1037543697 /nfs/dbraw/zinc/54/36/97/1037543697.db2.gz VTMFRDDFVMNVLC-RDPOXOKHSA-N 2 1 396.554 3.964 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246684028 1037549409 /nfs/dbraw/zinc/54/94/09/1037549409.db2.gz KLWOKELKCVHVIX-LGVFNWMJSA-N 2 1 378.516 3.816 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001246688416 1037550444 /nfs/dbraw/zinc/55/04/44/1037550444.db2.gz ZKVTXVQHSDLGFG-HVHOJJEHSA-N 2 1 375.560 3.729 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246714658 1037566875 /nfs/dbraw/zinc/56/68/75/1037566875.db2.gz MYBTYNRZTDMKPJ-VIZSFHNOSA-N 2 1 395.572 3.540 20 0 GHADMP C[NH2+]CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001246723790 1037574882 /nfs/dbraw/zinc/57/48/82/1037574882.db2.gz VPPJNFREDVNQDM-RBDMOPTHSA-N 2 1 383.561 3.569 20 0 GHADMP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246737080 1037580930 /nfs/dbraw/zinc/58/09/30/1037580930.db2.gz IMIARNSCGIBVQR-QFIPXVFZSA-N 2 1 391.563 3.530 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CCN([C@@H]4CC[NH2+]C5(CCCCC5)C4)CC3)C2)cc1 ZINC001246753765 1037593278 /nfs/dbraw/zinc/59/32/78/1037593278.db2.gz CTLBMNYEMKUXAB-HSZRJFAPSA-N 2 1 397.607 3.808 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246757692 1037598194 /nfs/dbraw/zinc/59/81/94/1037598194.db2.gz MPXGIBWICHPNHE-APMMZXSISA-N 2 1 399.535 3.584 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246757692 1037598206 /nfs/dbraw/zinc/59/82/06/1037598206.db2.gz MPXGIBWICHPNHE-APMMZXSISA-N 2 1 399.535 3.584 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246757695 1037598511 /nfs/dbraw/zinc/59/85/11/1037598511.db2.gz MPXGIBWICHPNHE-JHOJWFKBSA-N 2 1 399.535 3.584 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246757695 1037598529 /nfs/dbraw/zinc/59/85/29/1037598529.db2.gz MPXGIBWICHPNHE-JHOJWFKBSA-N 2 1 399.535 3.584 20 0 GHADMP CC[C@H]1CC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246757237 1037599479 /nfs/dbraw/zinc/59/94/79/1037599479.db2.gz BNRAJMPUBBUJLM-IHFIDZABSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@H]1CC([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246757237 1037599494 /nfs/dbraw/zinc/59/94/94/1037599494.db2.gz BNRAJMPUBBUJLM-IHFIDZABSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766906 1037610155 /nfs/dbraw/zinc/61/01/55/1037610155.db2.gz OVIZDUFSCBTNLV-IIYMCBDZSA-N 2 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766906 1037610161 /nfs/dbraw/zinc/61/01/61/1037610161.db2.gz OVIZDUFSCBTNLV-IIYMCBDZSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766906 1037610171 /nfs/dbraw/zinc/61/01/71/1037610171.db2.gz OVIZDUFSCBTNLV-IIYMCBDZSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766906 1037610176 /nfs/dbraw/zinc/61/01/76/1037610176.db2.gz OVIZDUFSCBTNLV-IIYMCBDZSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766906 1037610188 /nfs/dbraw/zinc/61/01/88/1037610188.db2.gz OVIZDUFSCBTNLV-IIYMCBDZSA-N 3 1 384.612 3.923 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)C1=O ZINC001246773790 1037615587 /nfs/dbraw/zinc/61/55/87/1037615587.db2.gz HGEUGQDQLCAVLA-RUZDIDTESA-N 2 1 395.591 3.945 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[NH2+]1 ZINC001246778369 1037617556 /nfs/dbraw/zinc/61/75/56/1037617556.db2.gz USBHCLDNARTQHD-CBQOVEMMSA-N 2 1 387.543 3.652 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[NH2+]1 ZINC001246778369 1037617570 /nfs/dbraw/zinc/61/75/70/1037617570.db2.gz USBHCLDNARTQHD-CBQOVEMMSA-N 2 1 387.543 3.652 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)C1=O ZINC001246779707 1037618942 /nfs/dbraw/zinc/61/89/42/1037618942.db2.gz UNCSNCCTICQFJN-NTKDMRAZSA-N 2 1 381.564 3.555 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246817750 1037650446 /nfs/dbraw/zinc/65/04/46/1037650446.db2.gz NJCSVZWOCQAYFO-IRXDYDNUSA-N 2 1 384.490 3.923 20 0 GHADMP C[NH2+]C1CCC([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001246822859 1037654473 /nfs/dbraw/zinc/65/44/73/1037654473.db2.gz NTACKOAJFIBFOQ-UHFFFAOYSA-N 2 1 378.973 3.992 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)CC2)C[NH2+]1 ZINC001246839322 1037668752 /nfs/dbraw/zinc/66/87/52/1037668752.db2.gz SUBREZSPTSHJOS-ZJSXRUAMSA-N 2 1 393.575 3.551 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC001246859293 1037679941 /nfs/dbraw/zinc/67/99/41/1037679941.db2.gz JIAKIYBBSPNDCC-NZQKXSOJSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@H]1C[C@@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001246859293 1037679946 /nfs/dbraw/zinc/67/99/46/1037679946.db2.gz JIAKIYBBSPNDCC-NZQKXSOJSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@H]1C[C@@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)C[N@H+]1Cc1ccccc1 ZINC001246859293 1037679954 /nfs/dbraw/zinc/67/99/54/1037679954.db2.gz JIAKIYBBSPNDCC-NZQKXSOJSA-N 2 1 375.560 3.786 20 0 GHADMP CCCC[N@@H+]([C@@H](C)Cc1cccc(C(F)(F)F)c1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246877509 1037691022 /nfs/dbraw/zinc/69/10/22/1037691022.db2.gz OVZDSARBVLRLSX-LPHOPBHVSA-N 2 1 383.502 3.833 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C1)C2 ZINC001246876689 1037691373 /nfs/dbraw/zinc/69/13/73/1037691373.db2.gz HMFKELDYBMNLKF-YOSAUDMPSA-N 2 1 382.548 3.504 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C1)C2 ZINC001246880768 1037694772 /nfs/dbraw/zinc/69/47/72/1037694772.db2.gz RUIPMLLIHBMHMN-ISQLDUATSA-N 2 1 384.564 3.748 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246915835 1037723297 /nfs/dbraw/zinc/72/32/97/1037723297.db2.gz OUORKMCRQGCVEZ-QHCPKHFHSA-N 2 1 377.532 3.545 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001246918156 1037724838 /nfs/dbraw/zinc/72/48/38/1037724838.db2.gz WUIZHVNVDRJJES-PIIMJCKOSA-N 2 1 378.358 3.553 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1)CC2 ZINC001246934405 1037736288 /nfs/dbraw/zinc/73/62/88/1037736288.db2.gz IIBZAGSOCZUERV-AZXFEVOCSA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1)CC2 ZINC001246934405 1037736312 /nfs/dbraw/zinc/73/63/12/1037736312.db2.gz IIBZAGSOCZUERV-AZXFEVOCSA-N 2 1 388.527 3.892 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CCCC4(CN(Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246935900 1037740380 /nfs/dbraw/zinc/74/03/80/1037740380.db2.gz CPJCGZWCEBSDEY-JWQCQUIFSA-N 2 1 389.587 3.948 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCCC4(CN(Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246935900 1037740401 /nfs/dbraw/zinc/74/04/01/1037740401.db2.gz CPJCGZWCEBSDEY-JWQCQUIFSA-N 2 1 389.587 3.948 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246943065 1037748527 /nfs/dbraw/zinc/74/85/27/1037748527.db2.gz PACKPGTVTHSNSA-UHFFFAOYSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246952820 1037759848 /nfs/dbraw/zinc/75/98/48/1037759848.db2.gz WYPANSNMKMJBFQ-LAUBAEHRSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CSc3ccccc3C2)c1 ZINC001246953525 1037759934 /nfs/dbraw/zinc/75/99/34/1037759934.db2.gz BVNCXHMTSXOXTN-NRFANRHFSA-N 2 1 396.556 3.744 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246959357 1037775531 /nfs/dbraw/zinc/77/55/31/1037775531.db2.gz ROZAGMDQCQFBCY-QZTJIDSGSA-N 2 1 376.541 3.621 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246961779 1037782693 /nfs/dbraw/zinc/78/26/93/1037782693.db2.gz AKPMXRGPSOOEFM-ZWKOTPCHSA-N 2 1 385.527 3.701 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246961779 1037782714 /nfs/dbraw/zinc/78/27/14/1037782714.db2.gz AKPMXRGPSOOEFM-ZWKOTPCHSA-N 2 1 385.527 3.701 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246962087 1037783237 /nfs/dbraw/zinc/78/32/37/1037783237.db2.gz SWBGSTNXQURJOV-FQEVSTJZSA-N 2 1 391.531 3.699 20 0 GHADMP COC(=O)CCCC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246967172 1037789673 /nfs/dbraw/zinc/78/96/73/1037789673.db2.gz YPZXUNCYFJVGCJ-MISYRCLQSA-N 2 1 376.541 3.889 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@H](CC)[NH2+]1 ZINC001246971602 1037795358 /nfs/dbraw/zinc/79/53/58/1037795358.db2.gz WBLRIEPDWPJJJB-QKPAOTATSA-N 2 1 386.462 3.648 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@H](CC)[NH2+]1 ZINC001246971602 1037795372 /nfs/dbraw/zinc/79/53/72/1037795372.db2.gz WBLRIEPDWPJJJB-QKPAOTATSA-N 2 1 386.462 3.648 20 0 GHADMP FC(F)(F)c1ccc([C@H]2CNCC[N@@H+]2C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246974559 1037796313 /nfs/dbraw/zinc/79/63/13/1037796313.db2.gz KGOLXFZPWJFICZ-LJQANCHMSA-N 2 1 381.486 3.964 20 0 GHADMP FC(F)(F)c1ccc([C@H]2CNCC[N@H+]2C2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC001246974559 1037796321 /nfs/dbraw/zinc/79/63/21/1037796321.db2.gz KGOLXFZPWJFICZ-LJQANCHMSA-N 2 1 381.486 3.964 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)cc1 ZINC001246974340 1037797454 /nfs/dbraw/zinc/79/74/54/1037797454.db2.gz PUDALFNPCNPADB-UNMCSNQZSA-N 2 1 399.579 3.734 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246975654 1037800694 /nfs/dbraw/zinc/80/06/94/1037800694.db2.gz NABJWOBTXBEVPM-SYYKKAFVSA-N 2 1 399.510 3.874 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246975654 1037800707 /nfs/dbraw/zinc/80/07/07/1037800707.db2.gz NABJWOBTXBEVPM-SYYKKAFVSA-N 2 1 399.510 3.874 20 0 GHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001247000042 1037823613 /nfs/dbraw/zinc/82/36/13/1037823613.db2.gz DBUWMDNFYIYVCU-VEXUSMLFSA-N 2 1 381.539 3.868 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+]1CCC3(CC1)[NH2+]CCc1ccccc13)CC2 ZINC001247007527 1037832947 /nfs/dbraw/zinc/83/29/47/1037832947.db2.gz XMIHAFWTXUSTLC-YUVVGHDESA-N 2 1 382.548 3.635 20 0 GHADMP c1ccc2c(c1)nc(-c1ccc(C[NH+]3CCOCC3)cc1)n2CC1CC[NH2+]CC1 ZINC001247023903 1037843869 /nfs/dbraw/zinc/84/38/69/1037843869.db2.gz JXYQOJBAKREGPO-UHFFFAOYSA-N 2 1 390.531 3.535 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc(Cl)cs3)O2)CC1 ZINC001232279408 1038008260 /nfs/dbraw/zinc/00/82/60/1038008260.db2.gz GCGMGYZEYDMBLJ-MISYRCLQSA-N 2 1 399.000 3.882 20 0 GHADMP COc1cc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001232350795 1038129063 /nfs/dbraw/zinc/12/90/63/1038129063.db2.gz JXALWNMGIHLGDV-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP Fc1cc(F)c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1Cl ZINC001247906440 1038479300 /nfs/dbraw/zinc/47/93/00/1038479300.db2.gz OXQMTKIRWCIJJU-LLVKDONJSA-N 2 1 382.842 3.600 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247907796 1038480846 /nfs/dbraw/zinc/48/08/46/1038480846.db2.gz LLGKDNGVIIVQGJ-UHFFFAOYSA-N 2 1 396.413 3.567 20 0 GHADMP FC(F)(F)c1cccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247908405 1038481918 /nfs/dbraw/zinc/48/19/18/1038481918.db2.gz ZKLRISNJADVVRY-CQSZACIVSA-N 2 1 380.414 3.687 20 0 GHADMP Fc1cccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1C(F)(F)F ZINC001247908023 1038481990 /nfs/dbraw/zinc/48/19/90/1038481990.db2.gz NPWTXPDVQFIILQ-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP CCCn1cnc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001232797736 1038562772 /nfs/dbraw/zinc/56/27/72/1038562772.db2.gz UIPSSPWJFAWTPK-LJQANCHMSA-N 2 1 388.581 3.610 20 0 GHADMP CC(C)(O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001232829511 1038582008 /nfs/dbraw/zinc/58/20/08/1038582008.db2.gz MIAWMPVXMHTADX-UHFFFAOYSA-N 2 1 379.548 3.797 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)cc(O)c1)CC2 ZINC001232880463 1038656658 /nfs/dbraw/zinc/65/66/58/1038656658.db2.gz KPGBLWJWNFIJFK-QFIPXVFZSA-N 2 1 395.547 3.599 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)ccn3)C[C@H]2CC1 ZINC001278654272 1038912234 /nfs/dbraw/zinc/91/22/34/1038912234.db2.gz LJCBEBDSCCWSGX-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ccc(C)c2nc(Cl)c(C[N@@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)cc12 ZINC001233134204 1038916642 /nfs/dbraw/zinc/91/66/42/1038916642.db2.gz TWQMQAVHAUWPCL-VQTJNVASSA-N 2 1 386.971 3.715 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H](O)COCc1ccccc1)CC2 ZINC001252279961 1038921531 /nfs/dbraw/zinc/92/15/31/1038921531.db2.gz HEXPGVMEZBQETP-FYYLOGMGSA-N 2 1 398.547 3.534 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CN(C(=O)OCc4ccccc4)C3)CC2)C1 ZINC001462332155 1070177996 /nfs/dbraw/zinc/17/79/96/1070177996.db2.gz CWEVFGKAZUTVGG-XMSQKQJNSA-N 2 1 385.552 3.640 20 0 GHADMP O[C@@]1(C[NH+]2CCC(c3nc4ccccc4o3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252916879 1039254599 /nfs/dbraw/zinc/25/45/99/1039254599.db2.gz IOPKVAIBBWWNND-XMMPIXPASA-N 2 1 391.515 3.644 20 0 GHADMP O[C@@]1(C[NH+]2CCC(c3nc4ccccc4o3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252916879 1039254609 /nfs/dbraw/zinc/25/46/09/1039254609.db2.gz IOPKVAIBBWWNND-XMMPIXPASA-N 2 1 391.515 3.644 20 0 GHADMP C[C@H]1C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001252930541 1039265028 /nfs/dbraw/zinc/26/50/28/1039265028.db2.gz XQSANFIEOGBTFP-AMDXRBSFSA-N 2 1 394.559 3.629 20 0 GHADMP C[C@H]1C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001252930541 1039265043 /nfs/dbraw/zinc/26/50/43/1039265043.db2.gz XQSANFIEOGBTFP-AMDXRBSFSA-N 2 1 394.559 3.629 20 0 GHADMP C[C@H]1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001252930541 1039265052 /nfs/dbraw/zinc/26/50/52/1039265052.db2.gz XQSANFIEOGBTFP-AMDXRBSFSA-N 2 1 394.559 3.629 20 0 GHADMP C[C@H]1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001252930541 1039265065 /nfs/dbraw/zinc/26/50/65/1039265065.db2.gz XQSANFIEOGBTFP-AMDXRBSFSA-N 2 1 394.559 3.629 20 0 GHADMP COc1cccc([C@@H]2CCCC[N@@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001252929691 1039265884 /nfs/dbraw/zinc/26/58/84/1039265884.db2.gz IGIIWKCMMLNASJ-BJKOFHAPSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@@H]2CCCC[N@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001252929691 1039265905 /nfs/dbraw/zinc/26/59/05/1039265905.db2.gz IGIIWKCMMLNASJ-BJKOFHAPSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@@H]2CCCC[NH+]2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252929691 1039265924 /nfs/dbraw/zinc/26/59/24/1039265924.db2.gz IGIIWKCMMLNASJ-BJKOFHAPSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@@H]2CCCC[NH+]2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001252929691 1039265935 /nfs/dbraw/zinc/26/59/35/1039265935.db2.gz IGIIWKCMMLNASJ-BJKOFHAPSA-N 2 1 380.532 3.859 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1csc2ccccc21 ZINC001252931020 1039268478 /nfs/dbraw/zinc/26/84/78/1039268478.db2.gz GFSPKTXSOUWBBQ-JKSUJKDBSA-N 2 1 376.570 3.534 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1csc2ccccc21 ZINC001252931020 1039268487 /nfs/dbraw/zinc/26/84/87/1039268487.db2.gz GFSPKTXSOUWBBQ-JKSUJKDBSA-N 2 1 376.570 3.534 20 0 GHADMP O[C@@]1(C[NH2+]CCc2cc(Cl)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252942496 1039288175 /nfs/dbraw/zinc/28/81/75/1039288175.db2.gz ZLWWFVPUGLTAKZ-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCc2cc(Cl)ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252942496 1039288188 /nfs/dbraw/zinc/28/81/88/1039288188.db2.gz ZLWWFVPUGLTAKZ-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCc2c[nH]c3cccc(Cl)c23)CC[N@H+](Cc2ccccc2)C1 ZINC001252951294 1039295571 /nfs/dbraw/zinc/29/55/71/1039295571.db2.gz QXWSMZVDWVQPHK-JOCHJYFZSA-N 2 1 383.923 3.590 20 0 GHADMP O[C@@]1(C[NH2+]CCc2c[nH]c3cccc(Cl)c23)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951294 1039295584 /nfs/dbraw/zinc/29/55/84/1039295584.db2.gz QXWSMZVDWVQPHK-JOCHJYFZSA-N 2 1 383.923 3.590 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001253842027 1039851665 /nfs/dbraw/zinc/85/16/65/1039851665.db2.gz GALGTUBPVFTDFR-GPJHCHHRSA-N 2 1 380.532 3.520 20 0 GHADMP COc1ccc([C@H]2CCC[N@H+]2CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001254036760 1039967888 /nfs/dbraw/zinc/96/78/88/1039967888.db2.gz KWLBYNJKPXQLDJ-HSZRJFAPSA-N 2 1 380.532 3.859 20 0 GHADMP Cc1ccc2[nH]cc(C[N@H+](C)CC3(O)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC001254039285 1039968920 /nfs/dbraw/zinc/96/89/20/1039968920.db2.gz DPEYSMIAHYSUMZ-UHFFFAOYSA-N 2 1 377.532 3.935 20 0 GHADMP FC1(F)CCC([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001254221790 1040078023 /nfs/dbraw/zinc/07/80/23/1040078023.db2.gz XFNYPHOGAVJFRU-UHFFFAOYSA-N 2 1 379.495 3.574 20 0 GHADMP C[C@@H](C[NH+](C)C)Oc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC001234709635 1040241768 /nfs/dbraw/zinc/24/17/68/1040241768.db2.gz NHTYIKZMSLWPNX-MKHKVULQSA-N 2 1 396.575 3.663 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519529 1040292315 /nfs/dbraw/zinc/29/23/15/1040292315.db2.gz JOLCHJFLNPNESB-AABGKKOBSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519529 1040292337 /nfs/dbraw/zinc/29/23/37/1040292337.db2.gz JOLCHJFLNPNESB-AABGKKOBSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519529 1040292356 /nfs/dbraw/zinc/29/23/56/1040292356.db2.gz JOLCHJFLNPNESB-AABGKKOBSA-N 2 1 379.589 3.830 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH+](C)CC1 ZINC001254532784 1040303744 /nfs/dbraw/zinc/30/37/44/1040303744.db2.gz WVMIHQFZVWPXFQ-PCCBWWKXSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254532784 1040303752 /nfs/dbraw/zinc/30/37/52/1040303752.db2.gz WVMIHQFZVWPXFQ-PCCBWWKXSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254532784 1040303757 /nfs/dbraw/zinc/30/37/57/1040303757.db2.gz WVMIHQFZVWPXFQ-PCCBWWKXSA-N 2 1 376.516 3.844 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459250 1070268877 /nfs/dbraw/zinc/26/88/77/1070268877.db2.gz SIWIGZRRFOODGW-HSZRJFAPSA-N 2 1 395.547 3.900 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459250 1070268885 /nfs/dbraw/zinc/26/88/85/1070268885.db2.gz SIWIGZRRFOODGW-HSZRJFAPSA-N 2 1 395.547 3.900 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459250 1070268899 /nfs/dbraw/zinc/26/88/99/1070268899.db2.gz SIWIGZRRFOODGW-HSZRJFAPSA-N 2 1 395.547 3.900 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254620049 1040391073 /nfs/dbraw/zinc/39/10/73/1040391073.db2.gz KDFZSNKHMAVWLM-KESTWPANSA-N 2 1 375.532 3.545 20 0 GHADMP CC(C)N1CCOC[C@]2(CCC[N@H+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626279 1040401887 /nfs/dbraw/zinc/40/18/87/1040401887.db2.gz SOZGGCVPCLLUFH-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626279 1040401901 /nfs/dbraw/zinc/40/19/01/1040401901.db2.gz SOZGGCVPCLLUFH-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626279 1040401908 /nfs/dbraw/zinc/40/19/08/1040401908.db2.gz SOZGGCVPCLLUFH-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626279 1040401916 /nfs/dbraw/zinc/40/19/16/1040401916.db2.gz SOZGGCVPCLLUFH-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626279 1040401926 /nfs/dbraw/zinc/40/19/26/1040401926.db2.gz SOZGGCVPCLLUFH-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC001235034296 1040527372 /nfs/dbraw/zinc/52/73/72/1040527372.db2.gz WGTXWKSEFRBQSN-IBGZPJMESA-N 2 1 377.410 3.833 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC001235034296 1040527391 /nfs/dbraw/zinc/52/73/91/1040527391.db2.gz WGTXWKSEFRBQSN-IBGZPJMESA-N 2 1 377.410 3.833 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001254869308 1040612716 /nfs/dbraw/zinc/61/27/16/1040612716.db2.gz BCAXYPPNPSFYOW-PGFLUOATSA-N 2 1 379.589 3.878 20 0 GHADMP FC(F)(F)c1cnc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c(Br)c1 ZINC001235134202 1040628192 /nfs/dbraw/zinc/62/81/92/1040628192.db2.gz VJMZISBURQBHCB-UHFFFAOYSA-N 2 1 392.263 3.829 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001254882167 1040632687 /nfs/dbraw/zinc/63/26/87/1040632687.db2.gz IRRMSXRZHJHNMZ-XVAYZXCPSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235156201 1040647676 /nfs/dbraw/zinc/64/76/76/1040647676.db2.gz NBWAQRRXUBKNJO-SFHVURJKSA-N 2 1 396.373 3.985 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156208 1040648111 /nfs/dbraw/zinc/64/81/11/1040648111.db2.gz NEBBKUKZGZPJRB-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC001235160849 1040653516 /nfs/dbraw/zinc/65/35/16/1040653516.db2.gz RGDKMTDBNQPCEZ-GOSISDBHSA-N 2 1 395.341 3.590 20 0 GHADMP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](C[C@@H]4COCCN4)C3)CCC2)cc1 ZINC001235178035 1040667823 /nfs/dbraw/zinc/66/78/23/1040667823.db2.gz UHMLZDYATLZFTI-HSZRJFAPSA-N 2 1 385.596 3.523 20 0 GHADMP Clc1ccc(-c2ccccc2C[N@@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235200640 1040688146 /nfs/dbraw/zinc/68/81/46/1040688146.db2.gz ODVMEYBFFYHAFR-JOCHJYFZSA-N 2 1 386.923 3.588 20 0 GHADMP Clc1ccc(-c2ccccc2C[N@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc1 ZINC001235200640 1040688151 /nfs/dbraw/zinc/68/81/51/1040688151.db2.gz ODVMEYBFFYHAFR-JOCHJYFZSA-N 2 1 386.923 3.588 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(OC)c1 ZINC001235232532 1040712640 /nfs/dbraw/zinc/71/26/40/1040712640.db2.gz YALWUPNEUUXPTL-SFHVURJKSA-N 2 1 397.357 3.820 20 0 GHADMP CCOc1ncc(Br)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235236678 1040715649 /nfs/dbraw/zinc/71/56/49/1040715649.db2.gz GXJSVIQTXGGSHV-KRWDZBQOSA-N 2 1 382.346 3.597 20 0 GHADMP O=c1[nH]cc(Br)c2oc(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)cc21 ZINC001235239859 1040719188 /nfs/dbraw/zinc/71/91/88/1040719188.db2.gz JNOWBIYBPVVWJQ-INIZCTEOSA-N 2 1 394.313 3.650 20 0 GHADMP [NH2+]=C(NC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)c(Cl)c1 ZINC001254999850 1040720919 /nfs/dbraw/zinc/72/09/19/1040720919.db2.gz WDIMSWCMEJQSKH-AYHJJNSGSA-N 2 1 387.886 3.826 20 0 GHADMP [NH2+]=C(NC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1)c1ccc(F)c(Cl)c1 ZINC001254999850 1040720937 /nfs/dbraw/zinc/72/09/37/1040720937.db2.gz WDIMSWCMEJQSKH-AYHJJNSGSA-N 2 1 387.886 3.826 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)CO1 ZINC001255068776 1040762738 /nfs/dbraw/zinc/76/27/38/1040762738.db2.gz CNHMLRLBUPLTHE-LYGMZBLVSA-N 2 1 390.527 3.657 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CO1 ZINC001255068776 1040762750 /nfs/dbraw/zinc/76/27/50/1040762750.db2.gz CNHMLRLBUPLTHE-LYGMZBLVSA-N 2 1 390.527 3.657 20 0 GHADMP O[C@@H]1CC[N@H+]([C@H]2CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073870 1040766739 /nfs/dbraw/zinc/76/67/39/1040766739.db2.gz IMPKAAFBDGDUED-ZYQDXHPFSA-N 2 1 376.544 3.818 20 0 GHADMP O[C@@H]1CC[NH+]([C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073870 1040766752 /nfs/dbraw/zinc/76/67/52/1040766752.db2.gz IMPKAAFBDGDUED-ZYQDXHPFSA-N 2 1 376.544 3.818 20 0 GHADMP O[C@@H]1CC[NH+]([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073870 1040766761 /nfs/dbraw/zinc/76/67/61/1040766761.db2.gz IMPKAAFBDGDUED-ZYQDXHPFSA-N 2 1 376.544 3.818 20 0 GHADMP Cc1cc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc2[nH+]1 ZINC001255109561 1040791785 /nfs/dbraw/zinc/79/17/85/1040791785.db2.gz BUQYBLLMLGFUPJ-QFIPXVFZSA-N 2 1 386.543 3.940 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CCC([NH+]4CCc5ccccc5C4)CC3)C2)cc1 ZINC001255119052 1040807860 /nfs/dbraw/zinc/80/78/60/1040807860.db2.gz KJTIKLMSHLLLRV-RUZDIDTESA-N 2 1 375.560 3.784 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CCC([N@@H+]4CCc5ccccc5C4)CC3)C2)cc1 ZINC001255119052 1040807880 /nfs/dbraw/zinc/80/78/80/1040807880.db2.gz KJTIKLMSHLLLRV-RUZDIDTESA-N 2 1 375.560 3.784 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)C2)cc1 ZINC001255119052 1040807893 /nfs/dbraw/zinc/80/78/93/1040807893.db2.gz KJTIKLMSHLLLRV-RUZDIDTESA-N 2 1 375.560 3.784 20 0 GHADMP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235339306 1040808731 /nfs/dbraw/zinc/80/87/31/1040808731.db2.gz FPFFBMHZFNZYSD-SNVBAGLBSA-N 2 1 382.348 3.774 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255119964 1040808927 /nfs/dbraw/zinc/80/89/27/1040808927.db2.gz HBEHMFJHAFCDMN-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001255119964 1040808942 /nfs/dbraw/zinc/80/89/42/1040808942.db2.gz HBEHMFJHAFCDMN-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001255119964 1040808956 /nfs/dbraw/zinc/80/89/56/1040808956.db2.gz HBEHMFJHAFCDMN-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(OC4COC4)cc2)C3)cc1 ZINC001255127202 1040820061 /nfs/dbraw/zinc/82/00/61/1040820061.db2.gz SBGMTXDBPSIVGI-KOUNCHBCSA-N 2 1 378.516 3.749 20 0 GHADMP O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H]1Cc1ccccc1 ZINC001255140866 1040847788 /nfs/dbraw/zinc/84/77/88/1040847788.db2.gz RODOQQVHGDHVBY-VMAPGKTHSA-N 2 1 376.544 3.860 20 0 GHADMP COC[C@@H]1COCCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255141175 1040848227 /nfs/dbraw/zinc/84/82/27/1040848227.db2.gz AGTDNWPOBZNTPC-JLLPCOHGSA-N 2 1 398.591 3.947 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255141175 1040848257 /nfs/dbraw/zinc/84/82/57/1040848257.db2.gz AGTDNWPOBZNTPC-JLLPCOHGSA-N 2 1 398.591 3.947 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255141175 1040848277 /nfs/dbraw/zinc/84/82/77/1040848277.db2.gz AGTDNWPOBZNTPC-JLLPCOHGSA-N 2 1 398.591 3.947 20 0 GHADMP Oc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC001235368238 1040867026 /nfs/dbraw/zinc/86/70/26/1040867026.db2.gz JFDFTGMNFUNUNW-AVRDEDQJSA-N 2 1 388.458 3.747 20 0 GHADMP Oc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC001235368238 1040867048 /nfs/dbraw/zinc/86/70/48/1040867048.db2.gz JFDFTGMNFUNUNW-AVRDEDQJSA-N 2 1 388.458 3.747 20 0 GHADMP CC(C)Oc1c(Cl)cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1Cl ZINC001235370829 1040872520 /nfs/dbraw/zinc/87/25/20/1040872520.db2.gz XKICLAWTWLTZAT-SPYBWZPUSA-N 2 1 385.335 3.733 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C1)C2 ZINC001255206389 1040904629 /nfs/dbraw/zinc/90/46/29/1040904629.db2.gz XEJSVFXBJUZUTK-MRQBATSKSA-N 2 1 397.563 3.511 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C1)C2 ZINC001255206389 1040904631 /nfs/dbraw/zinc/90/46/31/1040904631.db2.gz XEJSVFXBJUZUTK-MRQBATSKSA-N 2 1 397.563 3.511 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C1)C2 ZINC001255206389 1040904633 /nfs/dbraw/zinc/90/46/33/1040904633.db2.gz XEJSVFXBJUZUTK-MRQBATSKSA-N 2 1 397.563 3.511 20 0 GHADMP c1ccc(-c2nc3n(c2C[N@H+]2CCC[C@H]([C@@H]4CCC[NH2+]C4)C2)CCS3)cc1 ZINC001235421015 1040924744 /nfs/dbraw/zinc/92/47/44/1040924744.db2.gz AMVSQKPBHIURGB-MOPGFXCFSA-N 2 1 382.577 3.867 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OC(=O)C(C)C ZINC001235428416 1040930313 /nfs/dbraw/zinc/93/03/13/1040930313.db2.gz OIIBDXKYXGDPNE-VQTJNVASSA-N 2 1 388.552 3.858 20 0 GHADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2nsnc21 ZINC001235429668 1040930668 /nfs/dbraw/zinc/93/06/68/1040930668.db2.gz CMPWWTJVCBJTSL-CHWSQXEVSA-N 2 1 395.370 3.665 20 0 GHADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431206 1040932437 /nfs/dbraw/zinc/93/24/37/1040932437.db2.gz YNOQRMMKHTXZCT-HZPDHXFCSA-N 2 1 380.374 3.727 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)oc2c1 ZINC001235431304 1040933348 /nfs/dbraw/zinc/93/33/48/1040933348.db2.gz NJGKNTGMHVZMIK-ZIAGYGMSSA-N 2 1 378.314 3.802 20 0 GHADMP [NH3+]CCCCC[N@@H+]1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1 ZINC001235469987 1040952704 /nfs/dbraw/zinc/95/27/04/1040952704.db2.gz UQTLGVGTTTUDSB-UHFFFAOYSA-N 2 1 392.956 3.578 20 0 GHADMP O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1 ZINC001235517392 1040972174 /nfs/dbraw/zinc/97/21/74/1040972174.db2.gz HPHHIYSKMBGPEZ-QFIPXVFZSA-N 2 1 389.609 3.989 20 0 GHADMP O=C(N1CCCCC1)N1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255382474 1040973039 /nfs/dbraw/zinc/97/30/39/1040973039.db2.gz CITUQLYHLLQCKD-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC001255384278 1040973878 /nfs/dbraw/zinc/97/38/78/1040973878.db2.gz XEQMGOAOUXHONA-VWLOTQADSA-N 2 1 393.575 3.663 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001255386965 1040975305 /nfs/dbraw/zinc/97/53/05/1040975305.db2.gz DGLIPSMKCSKCTE-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001255386960 1040975821 /nfs/dbraw/zinc/97/58/21/1040975821.db2.gz DGLIPSMKCSKCTE-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255392282 1040979975 /nfs/dbraw/zinc/97/99/75/1040979975.db2.gz IFFYRDGQAIRUJG-YPAWHYETSA-N 2 1 379.552 3.608 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@H]2C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393767 1040981128 /nfs/dbraw/zinc/98/11/28/1040981128.db2.gz QIFLZAGGTSZOAR-PMACEKPBSA-N 2 1 393.531 3.765 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](NCc3cc(OCC4CCC4)ncn3)CC2)cc1 ZINC001255394063 1040981483 /nfs/dbraw/zinc/98/14/83/1040981483.db2.gz VTKHCSXMDRDQGP-OAQYLSRUSA-N 2 1 380.536 3.800 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393768 1040981782 /nfs/dbraw/zinc/98/17/82/1040981782.db2.gz QIFLZAGGTSZOAR-UXHICEINSA-N 2 1 393.531 3.765 20 0 GHADMP Cc1nc(CO[C@@H]2C[N@H+](CCC[NH2+]C3CCCCC3)[C@@H]3CCCO[C@H]23)cs1 ZINC001235553401 1040983970 /nfs/dbraw/zinc/98/39/70/1040983970.db2.gz VYTHZRXXNAEHAM-NJYVYQBISA-N 2 1 393.597 3.512 20 0 GHADMP Cc1nc(CO[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)[C@@H]3CCCO[C@H]23)cs1 ZINC001235553401 1040983974 /nfs/dbraw/zinc/98/39/74/1040983974.db2.gz VYTHZRXXNAEHAM-NJYVYQBISA-N 2 1 393.597 3.512 20 0 GHADMP [NH3+]CCCCC[N@@H+]1CCc2nc(C(=O)Nc3cccc(Cl)c3)sc2CC1 ZINC001235554701 1040984345 /nfs/dbraw/zinc/98/43/45/1040984345.db2.gz MHBQPSNPYMZUOX-UHFFFAOYSA-N 2 1 392.956 3.578 20 0 GHADMP Cc1noc([C@@H]2C[C@@H]3CCN([C@@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401077 1040987178 /nfs/dbraw/zinc/98/71/78/1040987178.db2.gz QXCOSPVQEZIKTE-LNRXMEIDSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@@H]4CCC[N@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401077 1040987197 /nfs/dbraw/zinc/98/71/97/1040987197.db2.gz QXCOSPVQEZIKTE-LNRXMEIDSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@@H]2C[C@@H]3CC[NH+]([C@@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401077 1040987199 /nfs/dbraw/zinc/98/71/99/1040987199.db2.gz QXCOSPVQEZIKTE-LNRXMEIDSA-N 2 1 396.535 3.585 20 0 GHADMP c1csc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)n1 ZINC001255402943 1040989777 /nfs/dbraw/zinc/98/97/77/1040989777.db2.gz PXODZZNYPVDJCY-BHIFYINESA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2C[C@@H]3C[NH+]([C@@H]4CCC[N@H+](Cc5ccccc5)CC4)C[C@@H]3C2)n1 ZINC001255402943 1040989794 /nfs/dbraw/zinc/98/97/94/1040989794.db2.gz PXODZZNYPVDJCY-BHIFYINESA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2C[C@@H]3C[NH+]([C@@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@@H]3C2)n1 ZINC001255402943 1040989796 /nfs/dbraw/zinc/98/97/96/1040989796.db2.gz PXODZZNYPVDJCY-BHIFYINESA-N 2 1 396.604 3.561 20 0 GHADMP O=C1CC[C@H]2[C@H](CC[N@H+]2[C@@H]2CCC[NH+](Cc3ccccc3)CC2)N1CC1CC1 ZINC001255404177 1040990508 /nfs/dbraw/zinc/99/05/08/1040990508.db2.gz TZTLXQWEYJZNMO-VJBWXMMDSA-N 2 1 381.564 3.516 20 0 GHADMP O=C1CC[C@H]2[C@H](CC[NH+]2[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)N1CC1CC1 ZINC001255404177 1040990514 /nfs/dbraw/zinc/99/05/14/1040990514.db2.gz TZTLXQWEYJZNMO-VJBWXMMDSA-N 2 1 381.564 3.516 20 0 GHADMP O=C1CC[C@H]2[C@H](CC[NH+]2[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)N1CC1CC1 ZINC001255404177 1040990516 /nfs/dbraw/zinc/99/05/16/1040990516.db2.gz TZTLXQWEYJZNMO-VJBWXMMDSA-N 2 1 381.564 3.516 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405372 1040993352 /nfs/dbraw/zinc/99/33/52/1040993352.db2.gz WLTGTCCLRHPQCW-BJKOFHAPSA-N 2 1 383.580 3.908 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255405372 1040993353 /nfs/dbraw/zinc/99/33/53/1040993353.db2.gz WLTGTCCLRHPQCW-BJKOFHAPSA-N 2 1 383.580 3.908 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255405372 1040993354 /nfs/dbraw/zinc/99/33/54/1040993354.db2.gz WLTGTCCLRHPQCW-BJKOFHAPSA-N 2 1 383.580 3.908 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255410271 1040999137 /nfs/dbraw/zinc/99/91/37/1040999137.db2.gz SSGDMRJVAWFUOU-YADHBBJMSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255410271 1040999147 /nfs/dbraw/zinc/99/91/47/1040999147.db2.gz SSGDMRJVAWFUOU-YADHBBJMSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255410271 1040999153 /nfs/dbraw/zinc/99/91/53/1040999153.db2.gz SSGDMRJVAWFUOU-YADHBBJMSA-N 2 1 395.547 3.988 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664121 1041116414 /nfs/dbraw/zinc/11/64/14/1041116414.db2.gz YOPLPXADZCKRFT-VLCRHTCISA-N 2 1 396.604 3.521 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664121 1041116435 /nfs/dbraw/zinc/11/64/35/1041116435.db2.gz YOPLPXADZCKRFT-VLCRHTCISA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664121 1041116465 /nfs/dbraw/zinc/11/64/65/1041116465.db2.gz YOPLPXADZCKRFT-VLCRHTCISA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664121 1041116478 /nfs/dbraw/zinc/11/64/78/1041116478.db2.gz YOPLPXADZCKRFT-VLCRHTCISA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664121 1041116501 /nfs/dbraw/zinc/11/65/01/1041116501.db2.gz YOPLPXADZCKRFT-VLCRHTCISA-N 3 1 396.604 3.521 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001235688063 1041158626 /nfs/dbraw/zinc/15/86/26/1041158626.db2.gz MHVZPVMJIXQNKK-GOSISDBHSA-N 2 1 375.513 3.711 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001255604680 1041160984 /nfs/dbraw/zinc/16/09/84/1041160984.db2.gz UJJHHUXGYYCDDY-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001255727423 1041251715 /nfs/dbraw/zinc/25/17/15/1041251715.db2.gz DEDGNKPNPRLEKP-GOSISDBHSA-N 2 1 387.568 3.844 20 0 GHADMP CC1(N2CC[NH+](Cc3ccc(OCc4cccc(F)c4)cc3)CC2)CC[NH2+]CC1 ZINC001235816163 1041330226 /nfs/dbraw/zinc/33/02/26/1041330226.db2.gz RNQGIGBNRRYFRT-UHFFFAOYSA-N 2 1 397.538 3.664 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235821191 1041338393 /nfs/dbraw/zinc/33/83/93/1041338393.db2.gz DCXYRGJRGXBWHI-UHFFFAOYSA-N 2 1 398.982 3.970 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001255848622 1041342944 /nfs/dbraw/zinc/34/29/44/1041342944.db2.gz KAFRHCZVVBSNOP-FQEVSTJZSA-N 2 1 397.538 3.766 20 0 GHADMP COc1nccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1Cl ZINC001235833282 1041356186 /nfs/dbraw/zinc/35/61/86/1041356186.db2.gz NKHAWTOAEFOTEN-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)nc1 ZINC001235866188 1041398680 /nfs/dbraw/zinc/39/86/80/1041398680.db2.gz MTOGGPLHHRMGCV-OAQYLSRUSA-N 2 1 397.519 3.728 20 0 GHADMP CSc1ncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(NC2CCCC2)n1 ZINC001235884315 1041410495 /nfs/dbraw/zinc/41/04/95/1041410495.db2.gz ZFFKQXSQDRHYIL-GOSISDBHSA-N 2 1 375.586 3.517 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001255968772 1041447535 /nfs/dbraw/zinc/44/75/35/1041447535.db2.gz IFLXGIQLSYBNMX-IBGZPJMESA-N 2 1 377.548 3.527 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235976046 1041481771 /nfs/dbraw/zinc/48/17/71/1041481771.db2.gz ZLAJVSGHBAVQEG-UHFFFAOYSA-N 3 1 393.575 3.654 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC001235991836 1041489734 /nfs/dbraw/zinc/48/97/34/1041489734.db2.gz IFIIZBFTFHRAEK-UHFFFAOYSA-N 2 1 378.358 3.625 20 0 GHADMP Brc1ccc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)[nH]c2c1 ZINC001236011729 1041504633 /nfs/dbraw/zinc/50/46/33/1041504633.db2.gz BNGKTOHVPNZEBA-UTKZUKDTSA-N 2 1 396.332 3.903 20 0 GHADMP Brc1ccc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)[nH]c2c1 ZINC001236011729 1041504643 /nfs/dbraw/zinc/50/46/43/1041504643.db2.gz BNGKTOHVPNZEBA-UTKZUKDTSA-N 2 1 396.332 3.903 20 0 GHADMP Brc1ccccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001256072822 1041508393 /nfs/dbraw/zinc/50/83/93/1041508393.db2.gz YGMDVTSORHIIHX-UHFFFAOYSA-N 2 1 393.369 3.714 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 ZINC001236066191 1041519571 /nfs/dbraw/zinc/51/95/71/1041519571.db2.gz LYUQUEWWEOVUOY-HXUWFJFHSA-N 2 1 388.895 3.845 20 0 GHADMP Fc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001236068390 1041520221 /nfs/dbraw/zinc/52/02/21/1041520221.db2.gz YGTSTSURAWEQMD-UHFFFAOYSA-N 2 1 393.428 3.812 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001236072621 1041523169 /nfs/dbraw/zinc/52/31/69/1041523169.db2.gz UEPQTGUPMXSLRE-KRWDZBQOSA-N 2 1 384.593 3.625 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(Br)c(Cl)cc1N)CC2 ZINC001236157818 1041581343 /nfs/dbraw/zinc/58/13/43/1041581343.db2.gz KSSJGGZTWHHQMA-UHFFFAOYSA-N 2 1 386.765 3.993 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)cc(I)cc2F)CC1 ZINC001236215213 1041625790 /nfs/dbraw/zinc/62/57/90/1041625790.db2.gz KWXJOQUCUIBLLC-UHFFFAOYSA-N 2 1 394.247 3.532 20 0 GHADMP Fc1ccc(S[C@H]2CC[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001236220925 1041628777 /nfs/dbraw/zinc/62/87/77/1041628777.db2.gz ANDNJANQHHTNAB-QFIPXVFZSA-N 2 1 385.552 3.598 20 0 GHADMP C[NH+]1CCC(n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)CC1 ZINC001256200101 1041644465 /nfs/dbraw/zinc/64/44/65/1041644465.db2.gz OALCOQYTPBBDFJ-QFIPXVFZSA-N 2 1 391.515 3.521 20 0 GHADMP C[NH+]1CCC([NH+]2CCC(CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001256210079 1041648911 /nfs/dbraw/zinc/64/89/11/1041648911.db2.gz ZXKNKAOMUHITGK-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001256216264 1041654790 /nfs/dbraw/zinc/65/47/90/1041654790.db2.gz WFNMNPVKQHZCOV-OXJNMPFZSA-N 2 1 395.385 3.861 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001256216264 1041654793 /nfs/dbraw/zinc/65/47/93/1041654793.db2.gz WFNMNPVKQHZCOV-OXJNMPFZSA-N 2 1 395.385 3.861 20 0 GHADMP Ic1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC001236373891 1041686084 /nfs/dbraw/zinc/68/60/84/1041686084.db2.gz MYYIODZENDNBBW-CYBMUJFWSA-N 2 1 388.293 3.628 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CC1 ZINC001236376759 1041688752 /nfs/dbraw/zinc/68/87/52/1041688752.db2.gz AECMSANHBNTWSS-UHFFFAOYSA-N 3 1 394.401 3.735 20 0 GHADMP COc1ccc(OC)c(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c1F ZINC001236384980 1041692582 /nfs/dbraw/zinc/69/25/82/1041692582.db2.gz LIEHWZYPQJBRSH-UHFFFAOYSA-N 2 1 390.474 3.984 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001236441852 1041713611 /nfs/dbraw/zinc/71/36/11/1041713611.db2.gz WEBIKEAWQPYEJH-NHCUHLMSSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001236441852 1041713616 /nfs/dbraw/zinc/71/36/16/1041713616.db2.gz WEBIKEAWQPYEJH-NHCUHLMSSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001236441852 1041713621 /nfs/dbraw/zinc/71/36/21/1041713621.db2.gz WEBIKEAWQPYEJH-NHCUHLMSSA-N 2 1 396.604 3.625 20 0 GHADMP C[C@H](Cc1ccccn1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001256415758 1041724437 /nfs/dbraw/zinc/72/44/37/1041724437.db2.gz NCWLPSWZFSTGHX-QUCCMNQESA-N 2 1 385.577 3.830 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3cc[nH]c3c2)C2CC[NH2+]CC2)c1 ZINC001236464276 1041725858 /nfs/dbraw/zinc/72/58/58/1041725858.db2.gz DDXQHLOBHBNKEE-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3cc[nH]c3c2)C2CC[NH2+]CC2)c1 ZINC001236464276 1041725862 /nfs/dbraw/zinc/72/58/62/1041725862.db2.gz DDXQHLOBHBNKEE-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2c(C)cc(OC)cc2C)C2CC[NH2+]CC2)c1 ZINC001236466275 1041728161 /nfs/dbraw/zinc/72/81/61/1041728161.db2.gz ZHQOWGDYMZRGBO-UHFFFAOYSA-N 2 1 396.531 3.853 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2c(C)cc(OC)cc2C)C2CC[NH2+]CC2)c1 ZINC001236466275 1041728168 /nfs/dbraw/zinc/72/81/68/1041728168.db2.gz ZHQOWGDYMZRGBO-UHFFFAOYSA-N 2 1 396.531 3.853 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001236481566 1041734431 /nfs/dbraw/zinc/73/44/31/1041734431.db2.gz XEWOTTQDYQOBBT-UAPYVXQJSA-N 2 1 376.516 3.668 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256463404 1041744357 /nfs/dbraw/zinc/74/43/57/1041744357.db2.gz PFZLKGXJBAOAMR-LPHOPBHVSA-N 2 1 391.531 3.864 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc(OC)cc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543531 1041757233 /nfs/dbraw/zinc/75/72/33/1041757233.db2.gz XSDNXDTXKZKCJQ-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3cc(OC(F)(F)F)ccc3[nH]2)CC2CC2)CC1 ZINC001236550384 1041758402 /nfs/dbraw/zinc/75/84/02/1041758402.db2.gz GYHYOEQESFQFSQ-HDJSIYSDSA-N 2 1 382.430 3.943 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)CC2CC2)CC1 ZINC001236550384 1041758406 /nfs/dbraw/zinc/75/84/06/1041758406.db2.gz GYHYOEQESFQFSQ-HDJSIYSDSA-N 2 1 382.430 3.943 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)CC2CC2)CC1 ZINC001236550384 1041758412 /nfs/dbraw/zinc/75/84/12/1041758412.db2.gz GYHYOEQESFQFSQ-HDJSIYSDSA-N 2 1 382.430 3.943 20 0 GHADMP CCOc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236554619 1041760578 /nfs/dbraw/zinc/76/05/78/1041760578.db2.gz NKPGOEGZNXKJKB-WKILWMFISA-N 2 1 384.362 3.971 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236555243 1041760805 /nfs/dbraw/zinc/76/08/05/1041760805.db2.gz GZPBODNIWKQVHQ-HZCBDIJESA-N 2 1 396.531 3.819 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cn2cccc(C)c2n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701328 1041841039 /nfs/dbraw/zinc/84/10/39/1041841039.db2.gz PZOLBRAZWDJXGJ-XUTJKUGGSA-N 2 1 378.520 3.923 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236722423 1041856372 /nfs/dbraw/zinc/85/63/72/1041856372.db2.gz IILJALYFLZCEGC-WGSAOQKQSA-N 2 1 385.581 3.821 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725806 1041858603 /nfs/dbraw/zinc/85/86/03/1041858603.db2.gz CGWRVXUPNXATDK-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP CCOC(=O)c1cn2cccc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)c2n1 ZINC001236780385 1041888495 /nfs/dbraw/zinc/88/84/95/1041888495.db2.gz QOCNXTIOCDZWFM-IYARVYRRSA-N 2 1 386.540 3.629 20 0 GHADMP CCOc1cncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001236839033 1041924104 /nfs/dbraw/zinc/92/41/04/1041924104.db2.gz PYVPXRFSIQAMNU-JOCHJYFZSA-N 2 1 395.547 3.736 20 0 GHADMP CCC[N@H+](Cc1cc2c(c(OCc3ccccc3)c1)OCO2)C[C@H]1CC[NH2+]C1 ZINC001236844249 1041925686 /nfs/dbraw/zinc/92/56/86/1041925686.db2.gz QQEXLYNBEHBKKT-IBGZPJMESA-N 2 1 382.504 3.816 20 0 GHADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cccc(-n3cncn3)c2)CC1 ZINC001236887194 1041940689 /nfs/dbraw/zinc/94/06/89/1041940689.db2.gz LRADUJSUPFWXMD-UHFFFAOYSA-N 2 1 379.483 3.503 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)Cc2cccc(-n3cncn3)c2)CC1 ZINC001236887194 1041940690 /nfs/dbraw/zinc/94/06/90/1041940690.db2.gz LRADUJSUPFWXMD-UHFFFAOYSA-N 2 1 379.483 3.503 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC(COc4ccccc4)CC3)ccc2F)CC1 ZINC001236963773 1041971205 /nfs/dbraw/zinc/97/12/05/1041971205.db2.gz MQCXBUANEXXNGD-UHFFFAOYSA-N 2 1 397.538 3.869 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC(c4cccc(O)c4)CC3)ccc2F)CC1 ZINC001236968316 1041972927 /nfs/dbraw/zinc/97/29/27/1041972927.db2.gz RXBUUYCFZBVXMJ-UHFFFAOYSA-N 2 1 383.511 3.663 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001237152719 1042066837 /nfs/dbraw/zinc/06/68/37/1042066837.db2.gz ACFVPJGIWZYLQI-CVEARBPZSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001237152719 1042066841 /nfs/dbraw/zinc/06/68/41/1042066841.db2.gz ACFVPJGIWZYLQI-CVEARBPZSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001237152719 1042066847 /nfs/dbraw/zinc/06/68/47/1042066847.db2.gz ACFVPJGIWZYLQI-CVEARBPZSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001237152719 1042066851 /nfs/dbraw/zinc/06/68/51/1042066851.db2.gz ACFVPJGIWZYLQI-CVEARBPZSA-N 2 1 377.941 3.846 20 0 GHADMP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](Cc3cccc(C(=O)NCC[NH3+])c3)C2)cc1 ZINC001237263057 1042112648 /nfs/dbraw/zinc/11/26/48/1042112648.db2.gz ADXFPMXIEPMSDI-OAQYLSRUSA-N 2 1 395.547 3.542 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1C(F)F ZINC001237271242 1042116584 /nfs/dbraw/zinc/11/65/84/1042116584.db2.gz DIMMMQIGBAGRMG-MOPGFXCFSA-N 2 1 387.474 3.982 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1C(F)F ZINC001237271242 1042116588 /nfs/dbraw/zinc/11/65/88/1042116588.db2.gz DIMMMQIGBAGRMG-MOPGFXCFSA-N 2 1 387.474 3.982 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccc1C(F)F ZINC001237271242 1042116591 /nfs/dbraw/zinc/11/65/91/1042116591.db2.gz DIMMMQIGBAGRMG-MOPGFXCFSA-N 2 1 387.474 3.982 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccc1C(F)F ZINC001237271242 1042116593 /nfs/dbraw/zinc/11/65/93/1042116593.db2.gz DIMMMQIGBAGRMG-MOPGFXCFSA-N 2 1 387.474 3.982 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCC4(CC3)[NH2+]CCc3ccccc34)C2)cc1 ZINC001237275483 1042118618 /nfs/dbraw/zinc/11/86/18/1042118618.db2.gz OFNXYPWBLWDGCL-QFIPXVFZSA-N 2 1 375.560 3.646 20 0 GHADMP COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001237305221 1042136232 /nfs/dbraw/zinc/13/62/32/1042136232.db2.gz JFBNPSFPVVGZRB-BJKOFHAPSA-N 2 1 379.548 3.572 20 0 GHADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237320409 1042144931 /nfs/dbraw/zinc/14/49/31/1042144931.db2.gz RPCALMPXSONWPX-NFBKMPQASA-N 2 1 383.511 3.560 20 0 GHADMP Cc1cc(F)cc(C)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237320409 1042144935 /nfs/dbraw/zinc/14/49/35/1042144935.db2.gz RPCALMPXSONWPX-NFBKMPQASA-N 2 1 383.511 3.560 20 0 GHADMP Cc1cc(F)cc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237320409 1042144939 /nfs/dbraw/zinc/14/49/39/1042144939.db2.gz RPCALMPXSONWPX-NFBKMPQASA-N 2 1 383.511 3.560 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc(F)c4cccnc34)C2)C1 ZINC001237424637 1042201100 /nfs/dbraw/zinc/20/11/00/1042201100.db2.gz IAXQDFRIEMCHIW-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC001237424637 1042201111 /nfs/dbraw/zinc/20/11/11/1042201111.db2.gz IAXQDFRIEMCHIW-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)C1 ZINC001237424637 1042201113 /nfs/dbraw/zinc/20/11/13/1042201113.db2.gz IAXQDFRIEMCHIW-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2sc3scc(C)c3c2C)CCC12C[NH2+]C2 ZINC001237429094 1042204682 /nfs/dbraw/zinc/20/46/82/1042204682.db2.gz CVIMGLNKSIFJMG-AWEZNQCLSA-N 2 1 378.563 3.554 20 0 GHADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc(OC)n1 ZINC001237558563 1042262797 /nfs/dbraw/zinc/26/27/97/1042262797.db2.gz IFCLPPHIJRSVQC-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001237770581 1042361269 /nfs/dbraw/zinc/36/12/69/1042361269.db2.gz QMLDLAOYMPDINF-RBUKOAKNSA-N 2 1 390.984 3.674 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1csc(-c2ccc(Cl)cc2)n1 ZINC001237770581 1042361271 /nfs/dbraw/zinc/36/12/71/1042361271.db2.gz QMLDLAOYMPDINF-RBUKOAKNSA-N 2 1 390.984 3.674 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC1 ZINC001237887981 1042410801 /nfs/dbraw/zinc/41/08/01/1042410801.db2.gz XZSMTPKWIQBIGG-JOCHJYFZSA-N 2 1 383.580 3.763 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3CN(Cc4ccccc4Oc4cnccn4)C[C@H]3C2)c1 ZINC001238011104 1042458182 /nfs/dbraw/zinc/45/81/82/1042458182.db2.gz JHKKOSYWGWVXGZ-KDURUIRLSA-N 2 1 392.528 3.894 20 0 GHADMP COc1cnc(F)c(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001238117037 1042496814 /nfs/dbraw/zinc/49/68/14/1042496814.db2.gz LJEWDKSIRYKBBS-UHFFFAOYSA-N 2 1 384.499 3.501 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001278230775 1042590515 /nfs/dbraw/zinc/59/05/15/1042590515.db2.gz FNAUWTYMQQMWRA-HXUWFJFHSA-N 2 1 384.395 3.885 20 0 GHADMP CSc1ncc(C)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001238714171 1042697812 /nfs/dbraw/zinc/69/78/12/1042697812.db2.gz AJEIBJBCGDSOKW-UHFFFAOYSA-N 2 1 397.588 3.979 20 0 GHADMP O=C(NCc1ccccc1)c1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001240076774 1042882957 /nfs/dbraw/zinc/88/29/57/1042882957.db2.gz YUWLWYTTXXEWEE-UHFFFAOYSA-N 2 1 382.467 3.618 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256522830 1043448216 /nfs/dbraw/zinc/44/82/16/1043448216.db2.gz KDVGHYNUHSDHSK-WMZHIEFXSA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256522830 1043448234 /nfs/dbraw/zinc/44/82/34/1043448234.db2.gz KDVGHYNUHSDHSK-WMZHIEFXSA-N 2 1 380.532 3.935 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001256523368 1043451196 /nfs/dbraw/zinc/45/11/96/1043451196.db2.gz OMXVKBUHSSQUAO-GHTZIAJQSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001256523368 1043451210 /nfs/dbraw/zinc/45/12/10/1043451210.db2.gz OMXVKBUHSSQUAO-GHTZIAJQSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525458 1043452709 /nfs/dbraw/zinc/45/27/09/1043452709.db2.gz ZVINCHNBCIZHQC-IZZBFERCSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525458 1043452716 /nfs/dbraw/zinc/45/27/16/1043452716.db2.gz ZVINCHNBCIZHQC-IZZBFERCSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[C@H](n2nc(-c3ccccc3)nc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256525973 1043453332 /nfs/dbraw/zinc/45/33/32/1043453332.db2.gz HINBGSSRAYYFSZ-WIYYLYMNSA-N 2 1 375.520 3.672 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC1COC1 ZINC001256525495 1043453551 /nfs/dbraw/zinc/45/35/51/1043453551.db2.gz CDMUHHQETNOTLY-NQIIRXRSSA-N 2 1 396.531 3.616 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC1COC1 ZINC001256525495 1043453560 /nfs/dbraw/zinc/45/35/60/1043453560.db2.gz CDMUHHQETNOTLY-NQIIRXRSSA-N 2 1 396.531 3.616 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256528870 1043457869 /nfs/dbraw/zinc/45/78/69/1043457869.db2.gz NDCTXUFYXQQNFG-ASLXYRGWSA-N 2 1 377.532 3.649 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256528870 1043457878 /nfs/dbraw/zinc/45/78/78/1043457878.db2.gz NDCTXUFYXQQNFG-ASLXYRGWSA-N 2 1 377.532 3.649 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001256529613 1043458742 /nfs/dbraw/zinc/45/87/42/1043458742.db2.gz CVNRQKACEUDNQP-REWPJTCUSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256529613 1043458750 /nfs/dbraw/zinc/45/87/50/1043458750.db2.gz CVNRQKACEUDNQP-REWPJTCUSA-N 2 1 391.559 3.999 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC001256530245 1043460359 /nfs/dbraw/zinc/46/03/59/1043460359.db2.gz AOKNNYRQEPNGRJ-RXVVDRJESA-N 2 1 377.536 3.995 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC001256530245 1043460371 /nfs/dbraw/zinc/46/03/71/1043460371.db2.gz AOKNNYRQEPNGRJ-RXVVDRJESA-N 2 1 377.536 3.995 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC001256534878 1043474271 /nfs/dbraw/zinc/47/42/71/1043474271.db2.gz ADAMUANNFGCERF-UGKGYDQZSA-N 2 1 398.547 3.863 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC001256534878 1043474290 /nfs/dbraw/zinc/47/42/90/1043474290.db2.gz ADAMUANNFGCERF-UGKGYDQZSA-N 2 1 398.547 3.863 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535468 1043478115 /nfs/dbraw/zinc/47/81/15/1043478115.db2.gz ZURASJZNSLVWKJ-WWPVKYPJSA-N 2 1 377.532 3.544 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256535468 1043478121 /nfs/dbraw/zinc/47/81/21/1043478121.db2.gz ZURASJZNSLVWKJ-WWPVKYPJSA-N 2 1 377.532 3.544 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539553 1043487744 /nfs/dbraw/zinc/48/77/44/1043487744.db2.gz DECHCHFZFXPNBR-AWDZXFJFSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539553 1043487752 /nfs/dbraw/zinc/48/77/52/1043487752.db2.gz DECHCHFZFXPNBR-AWDZXFJFSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001256539553 1043487758 /nfs/dbraw/zinc/48/77/58/1043487758.db2.gz DECHCHFZFXPNBR-AWDZXFJFSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001256539553 1043487769 /nfs/dbraw/zinc/48/77/69/1043487769.db2.gz DECHCHFZFXPNBR-AWDZXFJFSA-N 2 1 381.564 3.515 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256545250 1043501516 /nfs/dbraw/zinc/50/15/16/1043501516.db2.gz RPPOYBZBHXTESA-CHKJKVEQSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256545250 1043501533 /nfs/dbraw/zinc/50/15/33/1043501533.db2.gz RPPOYBZBHXTESA-CHKJKVEQSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256545250 1043501546 /nfs/dbraw/zinc/50/15/46/1043501546.db2.gz RPPOYBZBHXTESA-CHKJKVEQSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256545250 1043501557 /nfs/dbraw/zinc/50/15/57/1043501557.db2.gz RPPOYBZBHXTESA-CHKJKVEQSA-N 2 1 396.535 3.726 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256546473 1043507257 /nfs/dbraw/zinc/50/72/57/1043507257.db2.gz LQQGOYSACFBATK-UNMCSNQZSA-N 2 1 398.595 3.652 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256546473 1043507268 /nfs/dbraw/zinc/50/72/68/1043507268.db2.gz LQQGOYSACFBATK-UNMCSNQZSA-N 2 1 398.595 3.652 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550872 1043513789 /nfs/dbraw/zinc/51/37/89/1043513789.db2.gz NXZKEVVKHGRVBP-GGAORHGYSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550872 1043513794 /nfs/dbraw/zinc/51/37/94/1043513794.db2.gz NXZKEVVKHGRVBP-GGAORHGYSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550872 1043513805 /nfs/dbraw/zinc/51/38/05/1043513805.db2.gz NXZKEVVKHGRVBP-GGAORHGYSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550872 1043513810 /nfs/dbraw/zinc/51/38/10/1043513810.db2.gz NXZKEVVKHGRVBP-GGAORHGYSA-N 2 1 378.564 3.955 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256550485 1043514498 /nfs/dbraw/zinc/51/44/98/1043514498.db2.gz MRPCLQLEHCUJJB-AKIFATBCSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256550485 1043514502 /nfs/dbraw/zinc/51/45/02/1043514502.db2.gz MRPCLQLEHCUJJB-AKIFATBCSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550485 1043514512 /nfs/dbraw/zinc/51/45/12/1043514512.db2.gz MRPCLQLEHCUJJB-AKIFATBCSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550485 1043514525 /nfs/dbraw/zinc/51/45/25/1043514525.db2.gz MRPCLQLEHCUJJB-AKIFATBCSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256553562 1043520328 /nfs/dbraw/zinc/52/03/28/1043520328.db2.gz GATSNEFGXQXQLP-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256553562 1043520337 /nfs/dbraw/zinc/52/03/37/1043520337.db2.gz GATSNEFGXQXQLP-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP COc1cc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001256553233 1043521326 /nfs/dbraw/zinc/52/13/26/1043521326.db2.gz FQVZINACVRRTAG-CZTZKLFOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001256553233 1043521334 /nfs/dbraw/zinc/52/13/34/1043521334.db2.gz FQVZINACVRRTAG-CZTZKLFOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001256553233 1043521341 /nfs/dbraw/zinc/52/13/41/1043521341.db2.gz FQVZINACVRRTAG-CZTZKLFOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001256553233 1043521348 /nfs/dbraw/zinc/52/13/48/1043521348.db2.gz FQVZINACVRRTAG-CZTZKLFOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256558184 1043529628 /nfs/dbraw/zinc/52/96/28/1043529628.db2.gz RMOWTRJQWZDRMW-TZIWHRDSSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256558184 1043529629 /nfs/dbraw/zinc/52/96/29/1043529629.db2.gz RMOWTRJQWZDRMW-TZIWHRDSSA-N 2 1 395.547 3.987 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001256573393 1043545943 /nfs/dbraw/zinc/54/59/43/1043545943.db2.gz OFKYTQDLPPKSNK-QFIPXVFZSA-N 2 1 389.609 3.939 20 0 GHADMP COCC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573356 1043546019 /nfs/dbraw/zinc/54/60/19/1043546019.db2.gz HJCKPEHQVVIZOR-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC1 ZINC001256573698 1043546440 /nfs/dbraw/zinc/54/64/40/1043546440.db2.gz QULDXPKARODHLY-UHFFFAOYSA-N 2 1 382.527 3.946 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC1 ZINC001256573698 1043546445 /nfs/dbraw/zinc/54/64/45/1043546445.db2.gz QULDXPKARODHLY-UHFFFAOYSA-N 2 1 382.527 3.946 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCN(Cc2ccncc2)CC1 ZINC001256594405 1043560385 /nfs/dbraw/zinc/56/03/85/1043560385.db2.gz UUDHNXDIHZIWAP-UHFFFAOYSA-N 2 1 392.591 3.890 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC001256605875 1043568580 /nfs/dbraw/zinc/56/85/80/1043568580.db2.gz KKPZOZSYIOXVPO-WXFUMESZSA-N 2 1 386.580 3.946 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC001256605875 1043568591 /nfs/dbraw/zinc/56/85/91/1043568591.db2.gz KKPZOZSYIOXVPO-WXFUMESZSA-N 2 1 386.580 3.946 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256606235 1043570871 /nfs/dbraw/zinc/57/08/71/1043570871.db2.gz SFRJSFQPABXPDH-IRLDBZIGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256606235 1043570883 /nfs/dbraw/zinc/57/08/83/1043570883.db2.gz SFRJSFQPABXPDH-IRLDBZIGSA-N 2 1 399.579 3.982 20 0 GHADMP NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1CCN(Cc2ccccc2)CC1 ZINC001256608512 1043572831 /nfs/dbraw/zinc/57/28/31/1043572831.db2.gz AANJBMDXNWMBQP-RPWUZVMVSA-N 2 1 391.559 3.775 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256689383 1043623829 /nfs/dbraw/zinc/62/38/29/1043623829.db2.gz VHFPBBGQNNTOEW-LZBANZJXSA-N 2 1 399.579 3.740 20 0 GHADMP C[C@@H]1Cc2cccc(Br)c2C[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256699280 1043630497 /nfs/dbraw/zinc/63/04/97/1043630497.db2.gz LPWLGGOZPPIHGG-FAEJEUNOSA-N 2 1 393.369 3.839 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001292262305 1043654750 /nfs/dbraw/zinc/65/47/50/1043654750.db2.gz VDYXCKBOSOHLNQ-XZOQPEGZSA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001292262305 1043654757 /nfs/dbraw/zinc/65/47/57/1043654757.db2.gz VDYXCKBOSOHLNQ-XZOQPEGZSA-N 2 1 397.538 3.908 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+]([C@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC001256815592 1043671215 /nfs/dbraw/zinc/67/12/15/1043671215.db2.gz SPYOALDETAYKBU-GMAHTHKFSA-N 2 1 394.563 3.647 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+]([C@@H]1CCO[C@H](c3ccccc3)C1)CC2 ZINC001256815591 1043671565 /nfs/dbraw/zinc/67/15/65/1043671565.db2.gz SPYOALDETAYKBU-GGAORHGYSA-N 2 1 394.563 3.647 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)CC2=O)s1 ZINC001256858356 1043706270 /nfs/dbraw/zinc/70/62/70/1043706270.db2.gz DPDIRJNLXVSEFO-QFIPXVFZSA-N 2 1 396.560 3.549 20 0 GHADMP CCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256864956 1043709416 /nfs/dbraw/zinc/70/94/16/1043709416.db2.gz OCNGOVKPMSNWHF-HXUWFJFHSA-N 2 1 388.556 3.772 20 0 GHADMP CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256864634 1043709639 /nfs/dbraw/zinc/70/96/39/1043709639.db2.gz LBLQYBUZJWJVPX-SFHVURJKSA-N 2 1 388.556 3.629 20 0 GHADMP CC(C)[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865268 1043710523 /nfs/dbraw/zinc/71/05/23/1043710523.db2.gz VPQIMLCIJJSOKO-FQEVSTJZSA-N 2 1 388.556 3.770 20 0 GHADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@@H]3CCC[N@H+](C4CCCC4)C3)cc2)CC1 ZINC001256904858 1043733341 /nfs/dbraw/zinc/73/33/41/1043733341.db2.gz NCVDLXGZGRPPNY-LYCVCJOSSA-N 2 1 398.595 3.649 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817760 1044199231 /nfs/dbraw/zinc/19/92/31/1044199231.db2.gz DXLMZQNKEYLOAI-KNQAVFIVSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C2)CC1 ZINC001258013854 1044342756 /nfs/dbraw/zinc/34/27/56/1044342756.db2.gz YECASSUWJWZGDJ-MJGOQNOKSA-N 2 1 397.579 3.682 20 0 GHADMP CCOC(=O)CC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258036751 1044363917 /nfs/dbraw/zinc/36/39/17/1044363917.db2.gz CHWJTOYTNFLBDP-JZEAKTPCSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258036751 1044363931 /nfs/dbraw/zinc/36/39/31/1044363931.db2.gz CHWJTOYTNFLBDP-JZEAKTPCSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258036751 1044363940 /nfs/dbraw/zinc/36/39/40/1044363940.db2.gz CHWJTOYTNFLBDP-JZEAKTPCSA-N 2 1 384.564 3.952 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258062291 1044375758 /nfs/dbraw/zinc/37/57/58/1044375758.db2.gz BOHLKYCDRMMLLH-TWGBQZSLSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258062291 1044375778 /nfs/dbraw/zinc/37/57/78/1044375778.db2.gz BOHLKYCDRMMLLH-TWGBQZSLSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258062291 1044375792 /nfs/dbraw/zinc/37/57/92/1044375792.db2.gz BOHLKYCDRMMLLH-TWGBQZSLSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258062291 1044375808 /nfs/dbraw/zinc/37/58/08/1044375808.db2.gz BOHLKYCDRMMLLH-TWGBQZSLSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258062285 1044375949 /nfs/dbraw/zinc/37/59/49/1044375949.db2.gz BOHLKYCDRMMLLH-CUUWFGFTSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258062285 1044375959 /nfs/dbraw/zinc/37/59/59/1044375959.db2.gz BOHLKYCDRMMLLH-CUUWFGFTSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258062285 1044375974 /nfs/dbraw/zinc/37/59/74/1044375974.db2.gz BOHLKYCDRMMLLH-CUUWFGFTSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258062285 1044375989 /nfs/dbraw/zinc/37/59/89/1044375989.db2.gz BOHLKYCDRMMLLH-CUUWFGFTSA-N 2 1 375.605 3.912 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H](C)C[C@@H](C)CC(C)C)CCC2 ZINC001258065669 1044378577 /nfs/dbraw/zinc/37/85/77/1044378577.db2.gz NMXLEEPXJPXICK-RBUKOAKNSA-N 2 1 376.589 3.752 20 0 GHADMP Fc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC001258138382 1044423969 /nfs/dbraw/zinc/42/39/69/1044423969.db2.gz WLBDTNBNPWQMEI-XMMPIXPASA-N 2 1 381.539 3.697 20 0 GHADMP OC1(Cc2ccccc2)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258140957 1044427496 /nfs/dbraw/zinc/42/74/96/1044427496.db2.gz PKMIBKQRIPZVHK-UHFFFAOYSA-N 2 1 378.560 3.763 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258141593 1044427636 /nfs/dbraw/zinc/42/76/36/1044427636.db2.gz JZFPFDAXQIGBSQ-UHFFFAOYSA-N 2 1 383.580 3.561 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H](C)Cc1ccco1)CC2 ZINC001258188499 1044461025 /nfs/dbraw/zinc/46/10/25/1044461025.db2.gz LBSHSKHKHANRTA-PZJWPPBQSA-N 2 1 383.536 3.609 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@H]1CCC(C)(C)C1)CC2 ZINC001258602984 1044665460 /nfs/dbraw/zinc/66/54/60/1044665460.db2.gz FLTDFTUDUWDBFD-LEWJYISDSA-N 2 1 378.601 3.795 20 0 GHADMP C[C@H](Cc1cccnc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001258624139 1044673030 /nfs/dbraw/zinc/67/30/30/1044673030.db2.gz DXPWKOXFNMLTAI-OFNKIYASSA-N 2 1 379.548 3.768 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC(C)(C)C1 ZINC001258684933 1044713201 /nfs/dbraw/zinc/71/32/01/1044713201.db2.gz CRBAYEPAMYDTQU-RDGPPVDQSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC(C)(C)C1 ZINC001258684933 1044713214 /nfs/dbraw/zinc/71/32/14/1044713214.db2.gz CRBAYEPAMYDTQU-RDGPPVDQSA-N 2 1 379.589 3.732 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001258772387 1044756709 /nfs/dbraw/zinc/75/67/09/1044756709.db2.gz PJXBDYCVGSXIFM-GHTZIAJQSA-N 2 1 383.552 3.532 20 0 GHADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258835408 1044779992 /nfs/dbraw/zinc/77/99/92/1044779992.db2.gz XMCHVKAJUTUZTJ-DHIUTWEWSA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)CC(CC(C)C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258835408 1044779999 /nfs/dbraw/zinc/77/99/99/1044779999.db2.gz XMCHVKAJUTUZTJ-DHIUTWEWSA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258835408 1044780009 /nfs/dbraw/zinc/78/00/09/1044780009.db2.gz XMCHVKAJUTUZTJ-DHIUTWEWSA-N 2 1 379.633 3.708 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])cc(OC)c1OC ZINC001258861512 1044800636 /nfs/dbraw/zinc/80/06/36/1044800636.db2.gz GBWXTTIJJFMTFX-ZWKOTPCHSA-N 2 1 386.536 3.740 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC001294967573 1044855879 /nfs/dbraw/zinc/85/58/79/1044855879.db2.gz UGLQEJAQGRXQBC-BWKHYTDRSA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001294967573 1044855900 /nfs/dbraw/zinc/85/59/00/1044855900.db2.gz UGLQEJAQGRXQBC-BWKHYTDRSA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001294967573 1044855925 /nfs/dbraw/zinc/85/59/25/1044855925.db2.gz UGLQEJAQGRXQBC-BWKHYTDRSA-N 2 1 383.580 3.522 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258911019 1044866609 /nfs/dbraw/zinc/86/66/09/1044866609.db2.gz ZAAKEZVIPAGMLY-DENIHFKCSA-N 2 1 397.604 3.599 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000483778456 1045329146 /nfs/dbraw/zinc/32/91/46/1045329146.db2.gz WDJJKAQKJZNEOS-BVSLBCMMSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000483778456 1045329152 /nfs/dbraw/zinc/32/91/52/1045329152.db2.gz WDJJKAQKJZNEOS-BVSLBCMMSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000483778456 1045329158 /nfs/dbraw/zinc/32/91/58/1045329158.db2.gz WDJJKAQKJZNEOS-BVSLBCMMSA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@H](C)C1 ZINC001299018829 1046000043 /nfs/dbraw/zinc/00/00/43/1046000043.db2.gz UNIMSWXYJDLZMW-HXUWFJFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[NH+]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@H](C)C1 ZINC001299018829 1046000052 /nfs/dbraw/zinc/00/00/52/1046000052.db2.gz UNIMSWXYJDLZMW-HXUWFJFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[NH+]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H](C)C1 ZINC001299018829 1046000066 /nfs/dbraw/zinc/00/00/66/1046000066.db2.gz UNIMSWXYJDLZMW-HXUWFJFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000379921798 1046799446 /nfs/dbraw/zinc/79/94/46/1046799446.db2.gz FFUPDUVKSCWHAM-LJQANCHMSA-N 2 1 375.557 3.586 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC001279226184 1047744972 /nfs/dbraw/zinc/74/49/72/1047744972.db2.gz XABVEPQTCWECSE-UHFFFAOYSA-N 2 1 384.923 3.778 20 0 GHADMP FC(F)(F)CCC[N@H+]1CC[C@@]2(C1)CCCN(CCC[NH+]1CCCCC1)C2 ZINC001279275055 1047753487 /nfs/dbraw/zinc/75/34/87/1047753487.db2.gz BAQZTMUEYVHXJS-IBGZPJMESA-N 2 1 375.523 3.993 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(I)cc3F)(C1)CCC2 ZINC001279313280 1047764414 /nfs/dbraw/zinc/76/44/14/1047764414.db2.gz LYBPJVQILOCCPT-JKSUJKDBSA-N 2 1 388.268 3.585 20 0 GHADMP Clc1ccc(C[NH+]2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)s1 ZINC001279335113 1047772219 /nfs/dbraw/zinc/77/22/19/1047772219.db2.gz WUOOBULAQNWLON-UHFFFAOYSA-N 2 1 378.973 3.976 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[NH+](Cc4scnc4C)C3)CC2)c(F)c1 ZINC001279367309 1047782937 /nfs/dbraw/zinc/78/29/37/1047782937.db2.gz JKYQBTQZBAJVNF-UHFFFAOYSA-N 2 1 375.513 3.697 20 0 GHADMP Brc1cnccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279405742 1047796392 /nfs/dbraw/zinc/79/63/92/1047796392.db2.gz OUSPMBCMEFILGA-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279405742 1047796400 /nfs/dbraw/zinc/79/64/00/1047796400.db2.gz OUSPMBCMEFILGA-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279405742 1047796406 /nfs/dbraw/zinc/79/64/06/1047796406.db2.gz OUSPMBCMEFILGA-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Cc1c(Br)cccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279638106 1047882352 /nfs/dbraw/zinc/88/23/52/1047882352.db2.gz CJTXCFLCBBZTJI-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](Cc3nccnc3Cl)C[C@H]2CC1 ZINC001279641799 1047886155 /nfs/dbraw/zinc/88/61/55/1047886155.db2.gz SEOBDNQVIQFEAC-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3nccnc3Cl)C[C@H]2CC1 ZINC001279641799 1047886168 /nfs/dbraw/zinc/88/61/68/1047886168.db2.gz SEOBDNQVIQFEAC-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](Cc3nccnc3Cl)C[C@H]2CC1 ZINC001279641799 1047886179 /nfs/dbraw/zinc/88/61/79/1047886179.db2.gz SEOBDNQVIQFEAC-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc(SC)nc3NC3CCCC3)(C1)CCC2 ZINC001279669478 1047907783 /nfs/dbraw/zinc/90/77/83/1047907783.db2.gz FSTZSVFAXJFVTP-VQTJNVASSA-N 2 1 375.586 3.707 20 0 GHADMP CC[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001307515897 1049357779 /nfs/dbraw/zinc/35/77/79/1049357779.db2.gz XHYDINBYQBLLJQ-YLJYHZDGSA-N 2 1 377.960 3.715 20 0 GHADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001307515897 1049357789 /nfs/dbraw/zinc/35/77/89/1049357789.db2.gz XHYDINBYQBLLJQ-YLJYHZDGSA-N 2 1 377.960 3.715 20 0 GHADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC001307627081 1049459372 /nfs/dbraw/zinc/45/93/72/1049459372.db2.gz UIUOJVFAWIRIRQ-UPVQGACJSA-N 2 1 384.564 3.887 20 0 GHADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC001307627081 1049459383 /nfs/dbraw/zinc/45/93/83/1049459383.db2.gz UIUOJVFAWIRIRQ-UPVQGACJSA-N 2 1 384.564 3.887 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670796 1049492261 /nfs/dbraw/zinc/49/22/61/1049492261.db2.gz UDTLZNYBTQAYEV-CADBVGFASA-N 2 1 379.589 3.922 20 0 GHADMP O=C(C[N@H+](CC1CC1)C1CCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307722300 1049536288 /nfs/dbraw/zinc/53/62/88/1049536288.db2.gz WEHBGHMIZBVXGN-NRFANRHFSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@@H+](CC1CC1)C1CCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307722300 1049536302 /nfs/dbraw/zinc/53/63/02/1049536302.db2.gz WEHBGHMIZBVXGN-NRFANRHFSA-N 2 1 389.971 3.858 20 0 GHADMP C[C@@H](CSc1ccccc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307907302 1049684390 /nfs/dbraw/zinc/68/43/90/1049684390.db2.gz KSWXAILUQFBQTH-GHTZIAJQSA-N 2 1 385.577 3.518 20 0 GHADMP C[C@@H](CSc1ccccc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307907302 1049684398 /nfs/dbraw/zinc/68/43/98/1049684398.db2.gz KSWXAILUQFBQTH-GHTZIAJQSA-N 2 1 385.577 3.518 20 0 GHADMP C[C@H]1C[N@@H+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308039096 1049789693 /nfs/dbraw/zinc/78/96/93/1049789693.db2.gz CVAYOBCPBLTDTQ-OALUTQOASA-N 2 1 388.556 3.629 20 0 GHADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC001308043165 1049792756 /nfs/dbraw/zinc/79/27/56/1049792756.db2.gz ROIGLBWBDJLYPP-NRFANRHFSA-N 2 1 398.595 3.745 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CC2(CCOC)CCCCC2)CC1 ZINC001308202897 1049911351 /nfs/dbraw/zinc/91/13/51/1049911351.db2.gz MHNXMRHOUJXEOK-UHFFFAOYSA-N 2 1 387.612 3.901 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC001290787997 1049924389 /nfs/dbraw/zinc/92/43/89/1049924389.db2.gz ICUWURZBKYFXRK-UHFFFAOYSA-N 2 1 390.531 3.947 20 0 GHADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC001308260730 1049929243 /nfs/dbraw/zinc/92/92/43/1049929243.db2.gz KCVMRSFIEPYPPQ-UHFFFAOYSA-N 2 1 379.552 3.743 20 0 GHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC001308331413 1049951049 /nfs/dbraw/zinc/95/10/49/1049951049.db2.gz VVCDLPVIQKOLCJ-PKTZIBPZSA-N 2 1 380.532 3.733 20 0 GHADMP CC(C)(C[NH2+]Cc1ccc(I)s1)C[NH+]1CCCC1 ZINC001308391251 1049965298 /nfs/dbraw/zinc/96/52/98/1049965298.db2.gz WMYMMPLYRAIGRZ-UHFFFAOYSA-N 2 1 378.323 3.564 20 0 GHADMP Cc1oc(-c2cccs2)nc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001308458383 1049981220 /nfs/dbraw/zinc/98/12/20/1049981220.db2.gz LXALCBSOEZIGQH-SFHVURJKSA-N 2 1 383.517 3.568 20 0 GHADMP Cc1oc(-c2cccs2)nc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001308458383 1049981221 /nfs/dbraw/zinc/98/12/21/1049981221.db2.gz LXALCBSOEZIGQH-SFHVURJKSA-N 2 1 383.517 3.568 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465444 1050018496 /nfs/dbraw/zinc/01/84/96/1050018496.db2.gz NSXPTRSCNNDSNJ-URLQWDBASA-N 2 1 381.358 3.725 20 0 GHADMP C[N@H+](CCN1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1)Cc1ccccc1 ZINC001308615594 1050033614 /nfs/dbraw/zinc/03/36/14/1050033614.db2.gz JOSMKJOGBUQHPC-UHFFFAOYSA-N 2 1 398.938 3.731 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1)Cc1ccccc1 ZINC001308615594 1050033618 /nfs/dbraw/zinc/03/36/18/1050033618.db2.gz JOSMKJOGBUQHPC-UHFFFAOYSA-N 2 1 398.938 3.731 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001308681418 1050057633 /nfs/dbraw/zinc/05/76/33/1050057633.db2.gz QZBFFVHDORCWGO-CTNGQTDRSA-N 2 1 383.580 3.842 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001308731498 1050074818 /nfs/dbraw/zinc/07/48/18/1050074818.db2.gz IJCWSFMURMCNEF-BGYRXZFFSA-N 2 1 387.568 3.601 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001308731498 1050074825 /nfs/dbraw/zinc/07/48/25/1050074825.db2.gz IJCWSFMURMCNEF-BGYRXZFFSA-N 2 1 387.568 3.601 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001308731498 1050074830 /nfs/dbraw/zinc/07/48/30/1050074830.db2.gz IJCWSFMURMCNEF-BGYRXZFFSA-N 2 1 387.568 3.601 20 0 GHADMP CC[N@H+](CCC[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1)C1CCCCC1 ZINC001308850194 1050123074 /nfs/dbraw/zinc/12/30/74/1050123074.db2.gz HHFKKTRONZYIPF-UHFFFAOYSA-N 2 1 378.582 3.626 20 0 GHADMP CC[N@@H+](CCC[NH2+]C1CC(S(=O)(=O)c2ccccc2)C1)C1CCCCC1 ZINC001308850194 1050123078 /nfs/dbraw/zinc/12/30/78/1050123078.db2.gz HHFKKTRONZYIPF-UHFFFAOYSA-N 2 1 378.582 3.626 20 0 GHADMP Cc1c(-c2nc([C@H]3CN(Cc4ccccc4)C[C@@H](C)O3)no2)ccc2cncn21 ZINC001330101883 1050956874 /nfs/dbraw/zinc/95/68/74/1050956874.db2.gz AWWDMQCMJUWZQL-FOIQADDNSA-N 2 1 389.459 3.655 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC001330901061 1051142704 /nfs/dbraw/zinc/14/27/04/1051142704.db2.gz GTBWTGYMEMKTSD-QHCPKHFHSA-N 2 1 383.580 3.873 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1F ZINC001331003077 1051167694 /nfs/dbraw/zinc/16/76/94/1051167694.db2.gz OAWGOUPDHPLJGN-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1F ZINC001331003077 1051167699 /nfs/dbraw/zinc/16/76/99/1051167699.db2.gz OAWGOUPDHPLJGN-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1F ZINC001331003077 1051167708 /nfs/dbraw/zinc/16/77/08/1051167708.db2.gz OAWGOUPDHPLJGN-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001310447538 1051363250 /nfs/dbraw/zinc/36/32/50/1051363250.db2.gz VTYAUSUUPUUBNC-XMSQKQJNSA-N 2 1 384.568 3.565 20 0 GHADMP Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC001310575533 1051459402 /nfs/dbraw/zinc/45/94/02/1051459402.db2.gz XNJWKWQNFJMNRO-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP Cc1ccc(-c2ncccc2NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC001310575533 1051459412 /nfs/dbraw/zinc/45/94/12/1051459412.db2.gz XNJWKWQNFJMNRO-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)c1Cl ZINC001332879284 1051591421 /nfs/dbraw/zinc/59/14/21/1051591421.db2.gz QDGNZPVAHRWVCD-GASCZTMLSA-N 2 1 397.350 3.734 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC001332898478 1051596036 /nfs/dbraw/zinc/59/60/36/1051596036.db2.gz PKRNJKBMQCHDQW-QXNXEDLHSA-N 2 1 377.532 3.802 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC001334358204 1051934252 /nfs/dbraw/zinc/93/42/52/1051934252.db2.gz IOEZBNKRWAHQGL-QGZVFWFLSA-N 2 1 387.936 3.806 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001334971497 1052018843 /nfs/dbraw/zinc/01/88/43/1052018843.db2.gz GZNBXMQJKXAWHN-CZYKHXBRSA-N 2 1 394.676 3.697 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001311343770 1052039171 /nfs/dbraw/zinc/03/91/71/1052039171.db2.gz HLUHJVXLUUCQCK-PMACEKPBSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001311430608 1052136744 /nfs/dbraw/zinc/13/67/44/1052136744.db2.gz OWQXUEGASFSRDH-YMISUZCDSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(C)(C)C[NH+](C)C ZINC001311496726 1052203302 /nfs/dbraw/zinc/20/33/02/1052203302.db2.gz XJKPKEJXPGUKGD-RBUKOAKNSA-N 2 1 388.600 3.837 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC001311692536 1052335200 /nfs/dbraw/zinc/33/52/00/1052335200.db2.gz GSWJUYNJHVOPAP-FQEVSTJZSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001311692536 1052335209 /nfs/dbraw/zinc/33/52/09/1052335209.db2.gz GSWJUYNJHVOPAP-FQEVSTJZSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001311692536 1052335212 /nfs/dbraw/zinc/33/52/12/1052335212.db2.gz GSWJUYNJHVOPAP-FQEVSTJZSA-N 2 1 392.632 3.795 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C(C)(C)C[NH3+])CC2)[C@@H]1c1cccs1 ZINC001336829099 1052345135 /nfs/dbraw/zinc/34/51/35/1052345135.db2.gz JZVWBFRUSXSEMI-QFBILLFUSA-N 2 1 392.613 3.538 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC001311711577 1052348050 /nfs/dbraw/zinc/34/80/50/1052348050.db2.gz CRKAEKRSIJPRLX-KAGYGMCKSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001311711577 1052348056 /nfs/dbraw/zinc/34/80/56/1052348056.db2.gz CRKAEKRSIJPRLX-KAGYGMCKSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001311711577 1052348062 /nfs/dbraw/zinc/34/80/62/1052348062.db2.gz CRKAEKRSIJPRLX-KAGYGMCKSA-N 2 1 384.568 3.528 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(Cl)cc1 ZINC001311876754 1052451238 /nfs/dbraw/zinc/45/12/38/1052451238.db2.gz DVFIZPZSXCJXJT-XUVXKRRUSA-N 2 1 394.991 3.895 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001311889243 1052459937 /nfs/dbraw/zinc/45/99/37/1052459937.db2.gz YCXFEAPVIVEJBS-RBBKRZOGSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001311889871 1052460729 /nfs/dbraw/zinc/46/07/29/1052460729.db2.gz LQCHSPLUAVXWPH-NRFANRHFSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001311992980 1052518442 /nfs/dbraw/zinc/51/84/42/1052518442.db2.gz AHJUSDBOZMRINE-UGKGYDQZSA-N 2 1 394.563 3.690 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001312165885 1052610580 /nfs/dbraw/zinc/61/05/80/1052610580.db2.gz LNQHKFKCWBNEKL-QFIPXVFZSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001312647109 1052824270 /nfs/dbraw/zinc/82/42/70/1052824270.db2.gz FEWGIRYAHSSNPO-VLVHOKLOSA-N 2 1 398.595 3.696 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001312656501 1052827626 /nfs/dbraw/zinc/82/76/26/1052827626.db2.gz BSUOBHCDWFGLGZ-REWPJTCUSA-N 2 1 394.563 3.514 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC001312818727 1052881764 /nfs/dbraw/zinc/88/17/64/1052881764.db2.gz ODJDSOMIXJKPDO-IFMALSPDSA-N 2 1 388.600 3.519 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001312998104 1052929832 /nfs/dbraw/zinc/92/98/32/1052929832.db2.gz GEXXIWJHHJWHMU-VSKRKVRLSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001312998104 1052929834 /nfs/dbraw/zinc/92/98/34/1052929834.db2.gz GEXXIWJHHJWHMU-VSKRKVRLSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001312998104 1052929835 /nfs/dbraw/zinc/92/98/35/1052929835.db2.gz GEXXIWJHHJWHMU-VSKRKVRLSA-N 2 1 398.595 3.555 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1)CC(C)C ZINC001313000362 1052930509 /nfs/dbraw/zinc/93/05/09/1052930509.db2.gz UKBVHZCMWVKQPG-FQEVSTJZSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1)CC(C)C ZINC001313000362 1052930510 /nfs/dbraw/zinc/93/05/10/1052930510.db2.gz UKBVHZCMWVKQPG-FQEVSTJZSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1)CC(C)C ZINC001313000362 1052930514 /nfs/dbraw/zinc/93/05/14/1052930514.db2.gz UKBVHZCMWVKQPG-FQEVSTJZSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001313004825 1052931735 /nfs/dbraw/zinc/93/17/35/1052931735.db2.gz WYUHCZNVBUWAMB-RCLSDMTESA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001313004825 1052931736 /nfs/dbraw/zinc/93/17/36/1052931736.db2.gz WYUHCZNVBUWAMB-RCLSDMTESA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001313004825 1052931738 /nfs/dbraw/zinc/93/17/38/1052931738.db2.gz WYUHCZNVBUWAMB-RCLSDMTESA-N 2 1 386.584 3.552 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001318410274 1054618857 /nfs/dbraw/zinc/61/88/57/1054618857.db2.gz RELSOLGIBOZEMP-RTWAWAEBSA-N 2 1 385.577 3.830 20 0 GHADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001318629323 1054759233 /nfs/dbraw/zinc/75/92/33/1054759233.db2.gz AFJHJRMDAGZRHC-AWEZNQCLSA-N 2 1 382.335 3.979 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001319201794 1055092831 /nfs/dbraw/zinc/09/28/31/1055092831.db2.gz WGVIOKJFZCOMLV-XOKHGSTOSA-N 2 1 387.446 3.765 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC001320176749 1055691932 /nfs/dbraw/zinc/69/19/32/1055691932.db2.gz LSNMZPRBJPOGOD-PMVMPFDFSA-N 2 1 395.522 3.599 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC001320176749 1055691943 /nfs/dbraw/zinc/69/19/43/1055691943.db2.gz LSNMZPRBJPOGOD-PMVMPFDFSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC001320176749 1055691959 /nfs/dbraw/zinc/69/19/59/1055691959.db2.gz LSNMZPRBJPOGOD-PMVMPFDFSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC001320176749 1055691969 /nfs/dbraw/zinc/69/19/69/1055691969.db2.gz LSNMZPRBJPOGOD-PMVMPFDFSA-N 2 1 395.522 3.599 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC001320432704 1055802196 /nfs/dbraw/zinc/80/21/96/1055802196.db2.gz IIJKGIGPDKSHJR-QFIPXVFZSA-N 2 1 388.600 3.659 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC001320432702 1055802985 /nfs/dbraw/zinc/80/29/85/1055802985.db2.gz IIJKGIGPDKSHJR-JOCHJYFZSA-N 2 1 388.600 3.659 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001320908718 1056010607 /nfs/dbraw/zinc/01/06/07/1056010607.db2.gz SHBITXRKAAMEEQ-XZOQPEGZSA-N 2 1 395.522 3.987 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001320908718 1056010628 /nfs/dbraw/zinc/01/06/28/1056010628.db2.gz SHBITXRKAAMEEQ-XZOQPEGZSA-N 2 1 395.522 3.987 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001320999406 1056051630 /nfs/dbraw/zinc/05/16/30/1056051630.db2.gz KFWMVJFLJZBZHV-XMMPIXPASA-N 2 1 393.575 3.955 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC001322549295 1056751267 /nfs/dbraw/zinc/75/12/67/1056751267.db2.gz NPTJQJNRMLRKPA-DHIUTWEWSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1 ZINC001322549295 1056751278 /nfs/dbraw/zinc/75/12/78/1056751278.db2.gz NPTJQJNRMLRKPA-DHIUTWEWSA-N 2 1 394.563 3.635 20 0 GHADMP CS(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001324159586 1057081512 /nfs/dbraw/zinc/08/15/12/1057081512.db2.gz VGDBEFLEWOILPP-FRIKZZABSA-N 2 1 398.572 3.765 20 0 GHADMP CS(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001324159586 1057081515 /nfs/dbraw/zinc/08/15/15/1057081515.db2.gz VGDBEFLEWOILPP-FRIKZZABSA-N 2 1 398.572 3.765 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000848989820 1057492490 /nfs/dbraw/zinc/49/24/90/1057492490.db2.gz CJWNZQWAJIOTJZ-SIKLNZKXSA-N 2 1 394.563 3.652 20 0 GHADMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000849056386 1057567994 /nfs/dbraw/zinc/56/79/94/1057567994.db2.gz NCFJYEFIJMPOTM-DZGCQCFKSA-N 2 1 387.355 3.525 20 0 GHADMP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000849058719 1057570259 /nfs/dbraw/zinc/57/02/59/1057570259.db2.gz PFFCKVHPYVTFPZ-JOCHJYFZSA-N 2 1 379.552 3.564 20 0 GHADMP CCc1ccc(NC(=[NH2+])NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000849058719 1057570263 /nfs/dbraw/zinc/57/02/63/1057570263.db2.gz PFFCKVHPYVTFPZ-JOCHJYFZSA-N 2 1 379.552 3.564 20 0 GHADMP CCc1ccc(NC(=[NH2+])NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000849058719 1057570269 /nfs/dbraw/zinc/57/02/69/1057570269.db2.gz PFFCKVHPYVTFPZ-JOCHJYFZSA-N 2 1 379.552 3.564 20 0 GHADMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082815 1057584893 /nfs/dbraw/zinc/58/48/93/1057584893.db2.gz DDNZNFBMVSPZLK-UHFFFAOYSA-N 2 1 378.398 3.580 20 0 GHADMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849082815 1057584900 /nfs/dbraw/zinc/58/49/00/1057584900.db2.gz DDNZNFBMVSPZLK-UHFFFAOYSA-N 2 1 378.398 3.580 20 0 GHADMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083607 1057586523 /nfs/dbraw/zinc/58/65/23/1057586523.db2.gz ALIBGWIZVPPVJZ-HNNXBMFYSA-N 2 1 382.386 3.952 20 0 GHADMP C[C@@H](NC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1Cl ZINC000849096437 1057592618 /nfs/dbraw/zinc/59/26/18/1057592618.db2.gz FHTZPCNCFZCOSP-BZNIZROVSA-N 2 1 375.369 3.606 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCCCC1 ZINC001440365332 1058502556 /nfs/dbraw/zinc/50/25/56/1058502556.db2.gz CDZAUVPCMISQJN-FQEVSTJZSA-N 2 1 375.532 3.561 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCCCC1 ZINC001440365332 1058502576 /nfs/dbraw/zinc/50/25/76/1058502576.db2.gz CDZAUVPCMISQJN-FQEVSTJZSA-N 2 1 375.532 3.561 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001440645543 1058556970 /nfs/dbraw/zinc/55/69/70/1058556970.db2.gz MILAITDMMLSRCI-BJKOFHAPSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(C(F)(F)F)CC[NH2+]CC1 ZINC001340033849 1059638682 /nfs/dbraw/zinc/63/86/82/1059638682.db2.gz OTMXYEKNWWQCJI-MRXNPFEDSA-N 2 1 397.485 3.609 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)c2)CC1 ZINC001446247892 1059736531 /nfs/dbraw/zinc/73/65/31/1059736531.db2.gz VGMHZYIQXBYDKQ-JOCHJYFZSA-N 2 1 395.551 3.703 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)c2)CC1 ZINC001446247892 1059736548 /nfs/dbraw/zinc/73/65/48/1059736548.db2.gz VGMHZYIQXBYDKQ-JOCHJYFZSA-N 2 1 395.551 3.703 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001341695510 1060817751 /nfs/dbraw/zinc/81/77/51/1060817751.db2.gz GOGRKIITACYYSR-DYESRHJHSA-N 2 1 397.519 3.507 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001341757060 1060866013 /nfs/dbraw/zinc/86/60/13/1060866013.db2.gz IITZNNNFVOIYDM-PXDUREFJSA-N 2 1 393.934 3.510 20 0 GHADMP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001454545329 1061829493 /nfs/dbraw/zinc/82/94/93/1061829493.db2.gz ZRJRFQLIFUGGRJ-KRXQYRFLSA-N 2 1 385.474 3.686 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)cc2)C1 ZINC001346845547 1061934671 /nfs/dbraw/zinc/93/46/71/1061934671.db2.gz AAMVZIBKISBZLN-OAQYLSRUSA-N 2 1 396.922 3.587 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001455293950 1062094667 /nfs/dbraw/zinc/09/46/67/1062094667.db2.gz GGTZMGISDACTMD-FPOVZHCZSA-N 2 1 382.552 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001455293950 1062094694 /nfs/dbraw/zinc/09/46/94/1062094694.db2.gz GGTZMGISDACTMD-FPOVZHCZSA-N 2 1 382.552 3.910 20 0 GHADMP C[C@H](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001457420340 1063166758 /nfs/dbraw/zinc/16/67/58/1063166758.db2.gz COKORUDOPVUYSN-UTKZUKDTSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@H](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC001457420340 1063166774 /nfs/dbraw/zinc/16/67/74/1063166774.db2.gz COKORUDOPVUYSN-UTKZUKDTSA-N 2 1 387.955 3.970 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC001348532766 1063180538 /nfs/dbraw/zinc/18/05/38/1063180538.db2.gz SAJGHDRCOXGCPZ-UHFFFAOYSA-N 2 1 380.536 3.844 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccco1 ZINC001457810348 1063379324 /nfs/dbraw/zinc/37/93/24/1063379324.db2.gz CEQQKLDEACAZOQ-POZUXBRTSA-N 2 1 377.916 3.781 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1)c1ccccc1 ZINC001459313301 1064058902 /nfs/dbraw/zinc/05/89/02/1064058902.db2.gz LUWQOVRXUAXYSB-NRFANRHFSA-N 2 1 385.939 3.724 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)c1ccccc1 ZINC001459313301 1064058908 /nfs/dbraw/zinc/05/89/08/1064058908.db2.gz LUWQOVRXUAXYSB-NRFANRHFSA-N 2 1 385.939 3.724 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC001459609325 1064142535 /nfs/dbraw/zinc/14/25/35/1064142535.db2.gz LVYXFSNRJPGTDF-PXDATVDWSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC001459609325 1064142538 /nfs/dbraw/zinc/14/25/38/1064142538.db2.gz LVYXFSNRJPGTDF-PXDATVDWSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC001459609325 1064142540 /nfs/dbraw/zinc/14/25/40/1064142540.db2.gz LVYXFSNRJPGTDF-PXDATVDWSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC001459609325 1064142542 /nfs/dbraw/zinc/14/25/42/1064142542.db2.gz LVYXFSNRJPGTDF-PXDATVDWSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001460064396 1064390116 /nfs/dbraw/zinc/39/01/16/1064390116.db2.gz JSHVWHFTLVKBLY-NFBKMPQASA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[N@H+](C)[C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001460064396 1064390136 /nfs/dbraw/zinc/39/01/36/1064390136.db2.gz JSHVWHFTLVKBLY-NFBKMPQASA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001460064396 1064390147 /nfs/dbraw/zinc/39/01/47/1064390147.db2.gz JSHVWHFTLVKBLY-NFBKMPQASA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001460064396 1064390165 /nfs/dbraw/zinc/39/01/65/1064390165.db2.gz JSHVWHFTLVKBLY-NFBKMPQASA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC001463760969 1064593623 /nfs/dbraw/zinc/59/36/23/1064593623.db2.gz BRPQKHOIPXAGLY-GOTSBHOMSA-N 2 1 397.538 3.908 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C1CCCCC1 ZINC001463984476 1064752985 /nfs/dbraw/zinc/75/29/85/1064752985.db2.gz LNRHXMGJTPMOEJ-FGZHOGPDSA-N 2 1 389.559 3.807 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)C1CCCCC1 ZINC001463984476 1064753000 /nfs/dbraw/zinc/75/30/00/1064753000.db2.gz LNRHXMGJTPMOEJ-FGZHOGPDSA-N 2 1 389.559 3.807 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001464553256 1065078925 /nfs/dbraw/zinc/07/89/25/1065078925.db2.gz QOPXBICUSRJOQO-UGKGYDQZSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001464553256 1065078943 /nfs/dbraw/zinc/07/89/43/1065078943.db2.gz QOPXBICUSRJOQO-UGKGYDQZSA-N 2 1 399.966 3.971 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001465158060 1065426344 /nfs/dbraw/zinc/42/63/44/1065426344.db2.gz XZWLTXRRJWWOTK-JOCHJYFZSA-N 2 1 389.559 3.953 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001465158060 1065426352 /nfs/dbraw/zinc/42/63/52/1065426352.db2.gz XZWLTXRRJWWOTK-JOCHJYFZSA-N 2 1 389.559 3.953 20 0 GHADMP Cc1cccc(Cl)c1NC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001200188470 1065523925 /nfs/dbraw/zinc/52/39/25/1065523925.db2.gz SLDCPLXWCJVXMR-UHFFFAOYSA-N 2 1 375.929 3.604 20 0 GHADMP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001300338384 1066031363 /nfs/dbraw/zinc/03/13/63/1066031363.db2.gz SNLKLQBSKYOAHT-QFIPXVFZSA-N 2 1 389.559 3.951 20 0 GHADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001300338384 1066031375 /nfs/dbraw/zinc/03/13/75/1066031375.db2.gz SNLKLQBSKYOAHT-QFIPXVFZSA-N 2 1 389.559 3.951 20 0 GHADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001300338384 1066031388 /nfs/dbraw/zinc/03/13/88/1066031388.db2.gz SNLKLQBSKYOAHT-QFIPXVFZSA-N 2 1 389.559 3.951 20 0 GHADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001300338384 1066031401 /nfs/dbraw/zinc/03/14/01/1066031401.db2.gz SNLKLQBSKYOAHT-QFIPXVFZSA-N 2 1 389.559 3.951 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)o1)C1CC1 ZINC001467335359 1067234967 /nfs/dbraw/zinc/23/49/67/1067234967.db2.gz NNKWFIAGWAQTKI-NRFANRHFSA-N 2 1 381.520 3.516 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001477615110 1078492883 /nfs/dbraw/zinc/49/28/83/1078492883.db2.gz KRFYWGVIWVCNBL-RBBKRZOGSA-N 2 1 386.584 3.729 20 0 GHADMP C[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001467847448 1067495754 /nfs/dbraw/zinc/49/57/54/1067495754.db2.gz WOXMVXCXUGMRRD-DYESRHJHSA-N 2 1 399.966 3.548 20 0 GHADMP C[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC001467847448 1067495769 /nfs/dbraw/zinc/49/57/69/1067495769.db2.gz WOXMVXCXUGMRRD-DYESRHJHSA-N 2 1 399.966 3.548 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)C(C)(C)CC2)cc1 ZINC001467863275 1067504395 /nfs/dbraw/zinc/50/43/95/1067504395.db2.gz WLZCTYSBKINSHB-IBGZPJMESA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC001467863275 1067504407 /nfs/dbraw/zinc/50/44/07/1067504407.db2.gz WLZCTYSBKINSHB-IBGZPJMESA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC001467863275 1067504424 /nfs/dbraw/zinc/50/44/24/1067504424.db2.gz WLZCTYSBKINSHB-IBGZPJMESA-N 2 1 386.584 3.687 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(C)C ZINC001467951155 1067542970 /nfs/dbraw/zinc/54/29/70/1067542970.db2.gz VMTCZLXOTMSQNJ-BVSLBCMMSA-N 2 1 388.600 3.563 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001468031622 1067573973 /nfs/dbraw/zinc/57/39/73/1067573973.db2.gz DXTGBDGAGWAMMF-YLJYHZDGSA-N 2 1 394.991 3.897 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c2ccccc2)CC1 ZINC001468175329 1067620685 /nfs/dbraw/zinc/62/06/85/1067620685.db2.gz NFNQRTZOAQRWHG-NFBKMPQASA-N 2 1 398.595 3.585 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001468212192 1067633530 /nfs/dbraw/zinc/63/35/30/1067633530.db2.gz RQVJNCVBQNHKPL-QHAWAJNXSA-N 2 1 394.648 3.896 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001468344262 1067694771 /nfs/dbraw/zinc/69/47/71/1067694771.db2.gz CVRSFSHXBIGXAR-QFIPXVFZSA-N 2 1 385.596 3.520 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC001477797707 1078570931 /nfs/dbraw/zinc/57/09/31/1078570931.db2.gz WWAWPIYYMNCXQY-SJBKTWHCSA-N 2 1 388.600 3.940 20 0 GHADMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000849104479 1067730196 /nfs/dbraw/zinc/73/01/96/1067730196.db2.gz QPHGDEIWKOEKCW-QFIPXVFZSA-N 2 1 396.535 3.701 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122437 1067738253 /nfs/dbraw/zinc/73/82/53/1067738253.db2.gz GFKKHXXWHXYWJY-AFXVXQJMSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122437 1067738262 /nfs/dbraw/zinc/73/82/62/1067738262.db2.gz GFKKHXXWHXYWJY-AFXVXQJMSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122437 1067738270 /nfs/dbraw/zinc/73/82/70/1067738270.db2.gz GFKKHXXWHXYWJY-AFXVXQJMSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122437 1067738273 /nfs/dbraw/zinc/73/82/73/1067738273.db2.gz GFKKHXXWHXYWJY-AFXVXQJMSA-N 2 1 390.527 3.800 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001468831012 1067903620 /nfs/dbraw/zinc/90/36/20/1067903620.db2.gz LLGZQPQNBIRVAO-PMACEKPBSA-N 2 1 386.584 3.681 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1cccs1 ZINC001468978874 1067943024 /nfs/dbraw/zinc/94/30/24/1067943024.db2.gz WQOINHWNNJKPMQ-SJLPKXTDSA-N 2 1 392.613 3.693 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001468993901 1067947221 /nfs/dbraw/zinc/94/72/21/1067947221.db2.gz ZXIITEAXOQOJRV-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC001477907218 1078622128 /nfs/dbraw/zinc/62/21/28/1078622128.db2.gz XUNWSIHHYVDVDH-RXVVDRJESA-N 2 1 386.584 3.822 20 0 GHADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001469945083 1068484050 /nfs/dbraw/zinc/48/40/50/1068484050.db2.gz QLXKRWJPSMFPSQ-NRFANRHFSA-N 2 1 390.616 3.739 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC001478210613 1078766995 /nfs/dbraw/zinc/76/69/95/1078766995.db2.gz HSZUICUIARNZHP-QFIPXVFZSA-N 2 1 388.600 3.981 20 0 GHADMP C[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H](CO)Cc1ccccc1 ZINC001460416920 1068958253 /nfs/dbraw/zinc/95/82/53/1068958253.db2.gz JRGQPYXGBZBVCE-VWLOTQADSA-N 2 1 380.576 3.867 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001478538954 1078910159 /nfs/dbraw/zinc/91/01/59/1078910159.db2.gz WDBRNMLFNOKOJT-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001478984090 1079051312 /nfs/dbraw/zinc/05/13/12/1079051312.db2.gz IYPICPIRWRISPQ-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001478984090 1079051317 /nfs/dbraw/zinc/05/13/17/1079051317.db2.gz IYPICPIRWRISPQ-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001478984090 1079051320 /nfs/dbraw/zinc/05/13/20/1079051320.db2.gz IYPICPIRWRISPQ-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP CC1(C)CN(C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001479001538 1079058515 /nfs/dbraw/zinc/05/85/15/1079058515.db2.gz PLBPVRGOLZEHIN-OAQYLSRUSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001479001538 1079058518 /nfs/dbraw/zinc/05/85/18/1079058518.db2.gz PLBPVRGOLZEHIN-OAQYLSRUSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)CN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001479001538 1079058525 /nfs/dbraw/zinc/05/85/25/1079058525.db2.gz PLBPVRGOLZEHIN-OAQYLSRUSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001472631351 1073587077 /nfs/dbraw/zinc/58/70/77/1073587077.db2.gz VCSQVFUGEUBURA-QFIPXVFZSA-N 2 1 379.548 3.746 20 0 GHADMP Cc1cccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001473374205 1073938871 /nfs/dbraw/zinc/93/88/71/1073938871.db2.gz GPVNEDVZEHPHTL-TUACAJSNSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1cccc([C@@H]2CC[NH+]([C@@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001473374205 1073938872 /nfs/dbraw/zinc/93/88/72/1073938872.db2.gz GPVNEDVZEHPHTL-TUACAJSNSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1cccc([C@@H]2CC[NH+]([C@@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001473374205 1073938877 /nfs/dbraw/zinc/93/88/77/1073938877.db2.gz GPVNEDVZEHPHTL-TUACAJSNSA-N 2 1 391.559 3.564 20 0 GHADMP CC[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H]1C ZINC001473401640 1073950853 /nfs/dbraw/zinc/95/08/53/1073950853.db2.gz CJDVBUIJEOSZMG-MBOZVWFJSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H]1C ZINC001473401640 1073950856 /nfs/dbraw/zinc/95/08/56/1073950856.db2.gz CJDVBUIJEOSZMG-MBOZVWFJSA-N 2 1 377.960 3.714 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc(F)c(C)c3)CC2)cc1 ZINC001473496283 1073989552 /nfs/dbraw/zinc/98/95/52/1073989552.db2.gz BDBPSMUDEKBZKW-HXUWFJFHSA-N 2 1 397.538 3.828 20 0 GHADMP Cc1c(O)ccc2c(C[N@H+]3CCC[C@@H]3CC[NH+]3CCC(C)CC3)cc(=O)oc12 ZINC001473716092 1074104271 /nfs/dbraw/zinc/10/42/71/1074104271.db2.gz AFYBTQUMNNQPHS-LJQANCHMSA-N 2 1 384.520 3.893 20 0 GHADMP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H]3CC[NH+]3CCC(C)CC3)cc(=O)oc12 ZINC001473716092 1074104275 /nfs/dbraw/zinc/10/42/75/1074104275.db2.gz AFYBTQUMNNQPHS-LJQANCHMSA-N 2 1 384.520 3.893 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC001473740166 1074117888 /nfs/dbraw/zinc/11/78/88/1074117888.db2.gz BSUNZSSXOOXAOE-OIBXWCBGSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](C2CCC2)CC1 ZINC001473740166 1074117900 /nfs/dbraw/zinc/11/79/00/1074117900.db2.gz BSUNZSSXOOXAOE-OIBXWCBGSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](C2CCC2)CC1 ZINC001473740166 1074117908 /nfs/dbraw/zinc/11/79/08/1074117908.db2.gz BSUNZSSXOOXAOE-OIBXWCBGSA-N 2 1 383.580 3.668 20 0 GHADMP CCSc1cccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC001473913299 1074201551 /nfs/dbraw/zinc/20/15/51/1074201551.db2.gz PDNXCJJEWCDPCK-LJQANCHMSA-N 2 1 375.607 3.938 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(OC)c(Cl)c2)CC1 ZINC001473935623 1074210875 /nfs/dbraw/zinc/21/08/75/1074210875.db2.gz AQQSWCBNFUSEGH-UHFFFAOYSA-N 2 1 387.955 3.776 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccnn1-c1ccccn1 ZINC001474012255 1074235440 /nfs/dbraw/zinc/23/54/40/1074235440.db2.gz GUNOGGHEXBWVOP-UHFFFAOYSA-N 2 1 387.487 3.782 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1OCC(C)C ZINC001474068470 1074253245 /nfs/dbraw/zinc/25/32/45/1074253245.db2.gz XUUMANJTLANMSW-RTWAWAEBSA-N 2 1 390.568 3.588 20 0 GHADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001474199641 1074291437 /nfs/dbraw/zinc/29/14/37/1074291437.db2.gz JNALBEHVLHTEIE-UHFFFAOYSA-N 2 1 379.346 3.702 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001474199641 1074291444 /nfs/dbraw/zinc/29/14/44/1074291444.db2.gz JNALBEHVLHTEIE-UHFFFAOYSA-N 2 1 379.346 3.702 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccnc3c(C(=O)OC)cccc23)CC1 ZINC001474356376 1074359966 /nfs/dbraw/zinc/35/99/66/1074359966.db2.gz CJEYMEACNPYKPV-UHFFFAOYSA-N 2 1 383.536 3.965 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001474364125 1074364633 /nfs/dbraw/zinc/36/46/33/1074364633.db2.gz XOSLEPUOJREGHQ-AWEZNQCLSA-N 2 1 381.483 3.638 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001474364125 1074364641 /nfs/dbraw/zinc/36/46/41/1074364641.db2.gz XOSLEPUOJREGHQ-AWEZNQCLSA-N 2 1 381.483 3.638 20 0 GHADMP CN(CCC[N@@H+](C)Cc1cc2cc(Br)ccc2o1)CC[NH+](C)C ZINC001474561972 1074464092 /nfs/dbraw/zinc/46/40/92/1074464092.db2.gz XUEHIKMWHOWGDH-UHFFFAOYSA-N 2 1 382.346 3.511 20 0 GHADMP CCc1cnc(C[NH2+]CCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001474700750 1074524234 /nfs/dbraw/zinc/52/42/34/1074524234.db2.gz XMKSGEJMRSVFBX-UHFFFAOYSA-N 2 1 396.601 3.518 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000359894369 203800736 /nfs/dbraw/zinc/80/07/36/203800736.db2.gz FYQHZBXARMCYSK-SIKLNZKXSA-N 2 1 385.596 3.914 20 0 GHADMP Cc1cccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164776073 721329731 /nfs/dbraw/zinc/32/97/31/721329731.db2.gz COKWDYTYZWBGQA-ISKFKSNPSA-N 2 1 392.547 3.643 20 0 GHADMP C[NH+](C)[C@H]1CCCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001165034320 721895993 /nfs/dbraw/zinc/89/59/93/721895993.db2.gz CEEOEBUQPLPELT-INIZCTEOSA-N 2 1 399.608 3.696 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000892531751 837395973 /nfs/dbraw/zinc/39/59/73/837395973.db2.gz BXYASTSBNJPUGB-UHFFFAOYSA-N 2 1 382.346 3.618 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000647545723 837493018 /nfs/dbraw/zinc/49/30/18/837493018.db2.gz JSIRQZULFQRBQQ-RTWAWAEBSA-N 2 1 393.531 3.769 20 0 GHADMP c1ccc(COc2ccc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000655700424 837690518 /nfs/dbraw/zinc/69/05/18/837690518.db2.gz HLKJILWGSVTZET-QHCPKHFHSA-N 2 1 380.532 3.651 20 0 GHADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655711754 837705903 /nfs/dbraw/zinc/70/59/03/837705903.db2.gz LLUQTNBWXARDJL-XMMPIXPASA-N 3 1 385.596 3.796 20 0 GHADMP c1ccc(C[NH+]2CCCCCC2)c(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655711754 837705910 /nfs/dbraw/zinc/70/59/10/837705910.db2.gz LLUQTNBWXARDJL-XMMPIXPASA-N 2 1 385.596 3.796 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000655720703 837734581 /nfs/dbraw/zinc/73/45/81/837734581.db2.gz DHBIGMBTFOZEOO-MRXNPFEDSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000655720703 837734586 /nfs/dbraw/zinc/73/45/86/837734586.db2.gz DHBIGMBTFOZEOO-MRXNPFEDSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000655721331 837735649 /nfs/dbraw/zinc/73/56/49/837735649.db2.gz NJHNGMSJCJXZJS-MRXNPFEDSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000655721331 837735660 /nfs/dbraw/zinc/73/56/60/837735660.db2.gz NJHNGMSJCJXZJS-MRXNPFEDSA-N 2 1 391.357 3.763 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000579702889 834413046 /nfs/dbraw/zinc/41/30/46/834413046.db2.gz VRJPKSNHILNVCG-IHLLOCCUSA-N 2 1 377.532 3.625 20 0 GHADMP CC[C@@H]1c2ccccc2CCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654792618 834570157 /nfs/dbraw/zinc/57/01/57/834570157.db2.gz VXGBNLLMRLVKLJ-HSZRJFAPSA-N 2 1 383.580 3.719 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975212 834613800 /nfs/dbraw/zinc/61/38/00/834613800.db2.gz MIBKVTFFNJHACJ-SIKLNZKXSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975212 834613802 /nfs/dbraw/zinc/61/38/02/834613802.db2.gz MIBKVTFFNJHACJ-SIKLNZKXSA-N 2 1 399.966 3.971 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OCCC(C)C ZINC000650723370 834701846 /nfs/dbraw/zinc/70/18/46/834701846.db2.gz MUWAMHWYFARQPM-KCZVDYSFSA-N 2 1 390.568 3.981 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000650723746 834705002 /nfs/dbraw/zinc/70/50/02/834705002.db2.gz STTDGYPSOFNXQH-KYJSFNMBSA-N 2 1 390.421 3.628 20 0 GHADMP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)ccc2n1 ZINC000530949369 837806349 /nfs/dbraw/zinc/80/63/49/837806349.db2.gz GTAVHILISVNJLP-HKUYNNGSSA-N 2 1 377.492 3.817 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000431570849 834932606 /nfs/dbraw/zinc/93/26/06/834932606.db2.gz MTYZUVUFEPPDGB-RTBURBONSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCCCc2ccc(F)cc2)CC1 ZINC001125286852 834948826 /nfs/dbraw/zinc/94/88/26/834948826.db2.gz ABZDJAVBGUHABT-UHFFFAOYSA-N 2 1 384.499 3.714 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4cccc5cnccc54)CC3)C2)cc1 ZINC000685441926 835011220 /nfs/dbraw/zinc/01/12/20/835011220.db2.gz GTCQCXVFBOYROK-XMMPIXPASA-N 2 1 386.543 3.627 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000130302125 835017053 /nfs/dbraw/zinc/01/70/53/835017053.db2.gz CTODKJYMYKYWED-NQIIRXRSSA-N 2 1 381.520 3.527 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000130302125 835017064 /nfs/dbraw/zinc/01/70/64/835017064.db2.gz CTODKJYMYKYWED-NQIIRXRSSA-N 2 1 381.520 3.527 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000130301702 835017253 /nfs/dbraw/zinc/01/72/53/835017253.db2.gz CTODKJYMYKYWED-WIYYLYMNSA-N 2 1 381.520 3.527 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000130301702 835017264 /nfs/dbraw/zinc/01/72/64/835017264.db2.gz CTODKJYMYKYWED-WIYYLYMNSA-N 2 1 381.520 3.527 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000685463180 835030261 /nfs/dbraw/zinc/03/02/61/835030261.db2.gz YKNYLUHPLBURQE-IBGZPJMESA-N 2 1 378.520 3.997 20 0 GHADMP CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000685469986 835034061 /nfs/dbraw/zinc/03/40/61/835034061.db2.gz CJWTXRRAOPVROO-XJKSGUPXSA-N 2 1 385.346 3.628 20 0 GHADMP CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000685469986 835034072 /nfs/dbraw/zinc/03/40/72/835034072.db2.gz CJWTXRRAOPVROO-XJKSGUPXSA-N 2 1 385.346 3.628 20 0 GHADMP CCSc1cccc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000583882045 835190618 /nfs/dbraw/zinc/19/06/18/835190618.db2.gz SSUWFHODZPJGHU-UHFFFAOYSA-N 2 1 389.609 3.611 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000685644166 835254995 /nfs/dbraw/zinc/25/49/95/835254995.db2.gz YHJJQCQPKIYRLN-YLJYHZDGSA-N 2 1 380.561 3.936 20 0 GHADMP CC(C)[NH+]1CCN(CCCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000583934253 835258886 /nfs/dbraw/zinc/25/88/86/835258886.db2.gz WNSIOIWDJJMSDQ-JOCHJYFZSA-N 2 1 375.626 3.800 20 0 GHADMP CC(C)N1CC[NH+](CCCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000583934253 835258893 /nfs/dbraw/zinc/25/88/93/835258893.db2.gz WNSIOIWDJJMSDQ-JOCHJYFZSA-N 2 1 375.626 3.800 20 0 GHADMP CC(C)N1CC[NH+](CCCS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000583934253 835258898 /nfs/dbraw/zinc/25/88/98/835258898.db2.gz WNSIOIWDJJMSDQ-JOCHJYFZSA-N 2 1 375.626 3.800 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000458741637 835318475 /nfs/dbraw/zinc/31/84/75/835318475.db2.gz MBFHYMOTXMMBQP-HXUWFJFHSA-N 2 1 388.600 3.707 20 0 GHADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cc2)no1 ZINC000092813362 835414178 /nfs/dbraw/zinc/41/41/78/835414178.db2.gz INIVBTYLCGBGOI-LJQANCHMSA-N 2 1 393.491 3.594 20 0 GHADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)cc2)no1 ZINC000092813362 835414180 /nfs/dbraw/zinc/41/41/80/835414180.db2.gz INIVBTYLCGBGOI-LJQANCHMSA-N 2 1 393.491 3.594 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142662 835453884 /nfs/dbraw/zinc/45/38/84/835453884.db2.gz VZLBLFNSUGQRDQ-IFMALSPDSA-N 2 1 378.516 3.789 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142673 835453927 /nfs/dbraw/zinc/45/39/27/835453927.db2.gz VZLBLFNSUGQRDQ-UNMCSNQZSA-N 2 1 378.516 3.789 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cc2)C1 ZINC000658142667 835454006 /nfs/dbraw/zinc/45/40/06/835454006.db2.gz VZLBLFNSUGQRDQ-IRLDBZIGSA-N 2 1 378.516 3.789 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4c5ccccc5[nH]c43)cc2)C1 ZINC000658139759 835465771 /nfs/dbraw/zinc/46/57/71/835465771.db2.gz RYFZPUCXEUUGOI-XXBNENTESA-N 2 1 375.516 3.902 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1OCCO ZINC000151639703 835672437 /nfs/dbraw/zinc/67/24/37/835672437.db2.gz RIWAOPZARFLGEE-KRWDZBQOSA-N 2 1 376.541 3.514 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000109311168 835797172 /nfs/dbraw/zinc/79/71/72/835797172.db2.gz YKWYFLHSDFTWRT-RTWAWAEBSA-N 2 1 383.536 3.691 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000600969958 835974722 /nfs/dbraw/zinc/97/47/22/835974722.db2.gz MALLUZDUWOIJGV-QFIPXVFZSA-N 2 1 399.966 3.971 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)C[C@@H](C)O1 ZINC000047453992 836224676 /nfs/dbraw/zinc/22/46/76/836224676.db2.gz IKVIBQAWCGMLAG-QZTJIDSGSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000092665148 844157014 /nfs/dbraw/zinc/15/70/14/844157014.db2.gz RCVKXYZESVCJSX-NHCUHLMSSA-N 2 1 378.564 3.739 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)CCc3ccccc3)cc2)C1 ZINC000613450081 836408854 /nfs/dbraw/zinc/40/88/54/836408854.db2.gz VSHCETFFOHYTRM-OAQYLSRUSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)CCc3ccccc3)cc2)C1 ZINC000613450081 836408858 /nfs/dbraw/zinc/40/88/58/836408858.db2.gz VSHCETFFOHYTRM-OAQYLSRUSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)CCc3ccccc3)cc2)C1 ZINC000613450081 836408864 /nfs/dbraw/zinc/40/88/64/836408864.db2.gz VSHCETFFOHYTRM-OAQYLSRUSA-N 2 1 393.575 3.709 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000647487596 836456799 /nfs/dbraw/zinc/45/67/99/836456799.db2.gz QSXGSDNAXHXVNV-GOSISDBHSA-N 2 1 376.504 3.719 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC([NH2+]C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000893819326 844167770 /nfs/dbraw/zinc/16/77/70/844167770.db2.gz JVAIRSNGJPSZTJ-CTNGQTDRSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000246961311 836486812 /nfs/dbraw/zinc/48/68/12/836486812.db2.gz RMRSPVAAACLLRT-NRSPTQNISA-N 2 1 385.577 3.940 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000246961311 836486817 /nfs/dbraw/zinc/48/68/17/836486817.db2.gz RMRSPVAAACLLRT-NRSPTQNISA-N 2 1 385.577 3.940 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000246961311 836486822 /nfs/dbraw/zinc/48/68/22/836486822.db2.gz RMRSPVAAACLLRT-NRSPTQNISA-N 2 1 385.577 3.940 20 0 GHADMP O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613483430 836503970 /nfs/dbraw/zinc/50/39/70/836503970.db2.gz SWLNBJRXFGRPLW-UHFFFAOYSA-N 2 1 395.522 3.702 20 0 GHADMP O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613483430 836503972 /nfs/dbraw/zinc/50/39/72/836503972.db2.gz SWLNBJRXFGRPLW-UHFFFAOYSA-N 2 1 395.522 3.702 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431696513 836904649 /nfs/dbraw/zinc/90/46/49/836904649.db2.gz DNTVZKWLYFBRFP-MZYLBHOOSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476560 837001915 /nfs/dbraw/zinc/00/19/15/837001915.db2.gz JIQWRXYBZXMXOF-LEWJYISDSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476560 837001926 /nfs/dbraw/zinc/00/19/26/837001926.db2.gz JIQWRXYBZXMXOF-LEWJYISDSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476560 837001938 /nfs/dbraw/zinc/00/19/38/837001938.db2.gz JIQWRXYBZXMXOF-LEWJYISDSA-N 2 1 391.559 3.819 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482264 837073668 /nfs/dbraw/zinc/07/36/68/837073668.db2.gz ACKLMGADEZKORT-URXFXBBRSA-N 2 1 394.559 3.757 20 0 GHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482264 837073677 /nfs/dbraw/zinc/07/36/77/837073677.db2.gz ACKLMGADEZKORT-URXFXBBRSA-N 2 1 394.559 3.757 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482264 837073686 /nfs/dbraw/zinc/07/36/86/837073686.db2.gz ACKLMGADEZKORT-URXFXBBRSA-N 2 1 394.559 3.757 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482264 837073696 /nfs/dbraw/zinc/07/36/96/837073696.db2.gz ACKLMGADEZKORT-URXFXBBRSA-N 2 1 394.559 3.757 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482264 837073702 /nfs/dbraw/zinc/07/37/02/837073702.db2.gz ACKLMGADEZKORT-URXFXBBRSA-N 2 1 394.559 3.757 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000046369298 837152523 /nfs/dbraw/zinc/15/25/23/837152523.db2.gz HIVAZWACKRAAFY-UHFFFAOYSA-N 2 1 383.540 3.908 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000511425491 837251594 /nfs/dbraw/zinc/25/15/94/837251594.db2.gz AMDGWEKIPCMVNS-UNMCSNQZSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000511425491 837251604 /nfs/dbraw/zinc/25/16/04/837251604.db2.gz AMDGWEKIPCMVNS-UNMCSNQZSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000511425491 837251613 /nfs/dbraw/zinc/25/16/13/837251613.db2.gz AMDGWEKIPCMVNS-UNMCSNQZSA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2)cc1 ZINC000030907105 837349160 /nfs/dbraw/zinc/34/91/60/837349160.db2.gz UGEKUXASWRYWNX-SFHVURJKSA-N 2 1 379.504 3.521 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000655780392 837865462 /nfs/dbraw/zinc/86/54/62/837865462.db2.gz MNJMYILEWZGGMX-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP FC(F)(F)Cc1noc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)n1 ZINC000377935479 838182950 /nfs/dbraw/zinc/18/29/50/838182950.db2.gz BHIFDLSNGUKLQO-CVEARBPZSA-N 2 1 380.414 3.558 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000415901366 838247297 /nfs/dbraw/zinc/24/72/97/838247297.db2.gz MTLWKVCVGYNGQX-UHFFFAOYSA-N 2 1 386.927 3.799 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000415901366 838247300 /nfs/dbraw/zinc/24/73/00/838247300.db2.gz MTLWKVCVGYNGQX-UHFFFAOYSA-N 2 1 386.927 3.799 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415939316 838291051 /nfs/dbraw/zinc/29/10/51/838291051.db2.gz QNMXULTYJJZBON-WIYYLYMNSA-N 2 1 396.535 3.541 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000415939533 838292383 /nfs/dbraw/zinc/29/23/83/838292383.db2.gz YZRKLONBUNFTLY-FCHUYYIVSA-N 2 1 392.547 3.782 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415953657 838315917 /nfs/dbraw/zinc/31/59/17/838315917.db2.gz JERMNNBHITWHKD-KRWDZBQOSA-N 2 1 396.510 3.600 20 0 GHADMP CC[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415965500 838326817 /nfs/dbraw/zinc/32/68/17/838326817.db2.gz ADBKKIJSISDFBM-LJQANCHMSA-N 2 1 396.510 3.600 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Br)cn3)CC2)nc(C)[nH+]1 ZINC000517210486 838327624 /nfs/dbraw/zinc/32/76/24/838327624.db2.gz DVDYSYRTLXZFDD-CYBMUJFWSA-N 2 1 390.329 3.571 20 0 GHADMP COC(=O)C1(c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC001167326799 838364334 /nfs/dbraw/zinc/36/43/34/838364334.db2.gz RZKNHDQQUAUNEK-OAQYLSRUSA-N 2 1 384.564 3.979 20 0 GHADMP COC(=O)C1(c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC001167326799 838364347 /nfs/dbraw/zinc/36/43/47/838364347.db2.gz RZKNHDQQUAUNEK-OAQYLSRUSA-N 2 1 384.564 3.979 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416165227 838658838 /nfs/dbraw/zinc/65/88/38/838658838.db2.gz DWGUZRYMDHVOPH-SFTDATJTSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416165227 838658842 /nfs/dbraw/zinc/65/88/42/838658842.db2.gz DWGUZRYMDHVOPH-SFTDATJTSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416165227 838658847 /nfs/dbraw/zinc/65/88/47/838658847.db2.gz DWGUZRYMDHVOPH-SFTDATJTSA-N 2 1 383.580 3.548 20 0 GHADMP COc1cccc(SCC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000659913231 838662876 /nfs/dbraw/zinc/66/28/76/838662876.db2.gz VINKNEMKXMEFMI-UHFFFAOYSA-N 2 1 399.604 3.537 20 0 GHADMP COc1cccc(SCC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000659913231 838662878 /nfs/dbraw/zinc/66/28/78/838662878.db2.gz VINKNEMKXMEFMI-UHFFFAOYSA-N 2 1 399.604 3.537 20 0 GHADMP C[C@H](CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000472956097 838780212 /nfs/dbraw/zinc/78/02/12/838780212.db2.gz DRKNAYYYLOFAFN-YLJYHZDGSA-N 2 1 388.581 3.561 20 0 GHADMP COc1c(C)cnc(CN(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1C ZINC000580089751 838843715 /nfs/dbraw/zinc/84/37/15/838843715.db2.gz BSNOVIZRBNADJD-IBGZPJMESA-N 2 1 388.556 3.646 20 0 GHADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958162 844393830 /nfs/dbraw/zinc/39/38/30/844393830.db2.gz ICFOLZYRNCMDOM-OALUTQOASA-N 2 1 387.568 3.571 20 0 GHADMP Brc1ccc(-n2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415041093 839104992 /nfs/dbraw/zinc/10/49/92/839104992.db2.gz KWCYMUQQVCEBGW-LPHOPBHVSA-N 2 1 389.341 3.599 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415041093 839104995 /nfs/dbraw/zinc/10/49/95/839104995.db2.gz KWCYMUQQVCEBGW-LPHOPBHVSA-N 2 1 389.341 3.599 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000415105101 839201448 /nfs/dbraw/zinc/20/14/48/839201448.db2.gz HTTDDDMCCPTWEG-JOCHJYFZSA-N 2 1 390.531 3.706 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCO[C@H](C[NH3+])C2)c(C)c1 ZINC000415105101 839201455 /nfs/dbraw/zinc/20/14/55/839201455.db2.gz HTTDDDMCCPTWEG-JOCHJYFZSA-N 2 1 390.531 3.706 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(OCC4CCCCC4)c3)C2)nn1 ZINC000415131445 839257262 /nfs/dbraw/zinc/25/72/62/839257262.db2.gz SGYHVRBFATUMBR-OAQYLSRUSA-N 2 1 383.540 3.533 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC000160480518 839406497 /nfs/dbraw/zinc/40/64/97/839406497.db2.gz FDPBQCQXSJRQGN-ICSRJNTNSA-N 2 1 397.604 3.645 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001167396961 839522985 /nfs/dbraw/zinc/52/29/85/839522985.db2.gz DDNRNRDTSBOFAN-DYESRHJHSA-N 2 1 387.955 3.622 20 0 GHADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1OC ZINC000580551925 839795530 /nfs/dbraw/zinc/79/55/30/839795530.db2.gz BYNPVRQTWKLZRO-JQHSSLGASA-N 2 1 387.549 3.777 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1OC ZINC000580551925 839795537 /nfs/dbraw/zinc/79/55/37/839795537.db2.gz BYNPVRQTWKLZRO-JQHSSLGASA-N 2 1 387.549 3.777 20 0 GHADMP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000580567738 839819697 /nfs/dbraw/zinc/81/96/97/839819697.db2.gz JOYMLUNQYJYLNI-DHIUTWEWSA-N 2 1 395.591 3.762 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000047969788 839900219 /nfs/dbraw/zinc/90/02/19/839900219.db2.gz RGQFIQHNCVONNC-HSZRJFAPSA-N 2 1 397.588 3.762 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580722907 840060405 /nfs/dbraw/zinc/06/04/05/840060405.db2.gz JXPCDXBAZLPFAZ-RTWAWAEBSA-N 2 1 397.588 3.598 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580722907 840060418 /nfs/dbraw/zinc/06/04/18/840060418.db2.gz JXPCDXBAZLPFAZ-RTWAWAEBSA-N 2 1 397.588 3.598 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580722907 840060428 /nfs/dbraw/zinc/06/04/28/840060428.db2.gz JXPCDXBAZLPFAZ-RTWAWAEBSA-N 2 1 397.588 3.598 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000535807632 844505302 /nfs/dbraw/zinc/50/53/02/844505302.db2.gz WTOBUCMFUXOMPZ-CZEIZJIKSA-N 2 1 391.575 3.992 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000535807632 844505356 /nfs/dbraw/zinc/50/53/56/844505356.db2.gz WTOBUCMFUXOMPZ-CZEIZJIKSA-N 2 1 391.575 3.992 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1Cl ZINC000416861804 840229277 /nfs/dbraw/zinc/22/92/77/840229277.db2.gz XGUHSRKPVZGYNY-PMACEKPBSA-N 2 1 388.943 3.722 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418480363 840296569 /nfs/dbraw/zinc/29/65/69/840296569.db2.gz CGHLEHNXHIHNTO-PGRDOPGGSA-N 2 1 380.536 3.512 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000418486263 840306190 /nfs/dbraw/zinc/30/61/90/840306190.db2.gz IFINQLLKNBASHP-RBUKOAKNSA-N 2 1 386.584 3.892 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000416977383 840321236 /nfs/dbraw/zinc/32/12/36/840321236.db2.gz PLFJCOQLWBABPH-WTIAFYNJSA-N 2 1 398.595 3.592 20 0 GHADMP C[NH2+]CCC1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000416978027 840322332 /nfs/dbraw/zinc/32/23/32/840322332.db2.gz QOHGKQGXHXABFW-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000111412296 840826627 /nfs/dbraw/zinc/82/66/27/840826627.db2.gz AJAKCWVEFAHSCW-UHFFFAOYSA-N 2 1 383.496 3.585 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCc2ccccc2F)C2CCCC2)CC1 ZINC000511633603 840950588 /nfs/dbraw/zinc/95/05/88/840950588.db2.gz GOTGNRZRBFPIKV-UHFFFAOYSA-N 2 1 389.559 3.602 20 0 GHADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000581255934 840957481 /nfs/dbraw/zinc/95/74/81/840957481.db2.gz KBCNARFCGFZCKU-HXUWFJFHSA-N 2 1 392.547 3.674 20 0 GHADMP [NH3+][C@H](c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656455686 840979084 /nfs/dbraw/zinc/97/90/84/840979084.db2.gz MXIQBKVCNFUKKX-JXFKEZNVSA-N 2 1 385.874 3.566 20 0 GHADMP [NH3+][C@H](c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656455686 840979091 /nfs/dbraw/zinc/97/90/91/840979091.db2.gz MXIQBKVCNFUKKX-JXFKEZNVSA-N 2 1 385.874 3.566 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000430560137 841104492 /nfs/dbraw/zinc/10/44/92/841104492.db2.gz VJADHVGCCCFYNY-HKUYNNGSSA-N 2 1 375.532 3.546 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000430560137 841104498 /nfs/dbraw/zinc/10/44/98/841104498.db2.gz VJADHVGCCCFYNY-HKUYNNGSSA-N 2 1 375.532 3.546 20 0 GHADMP C(CCCC[NH+]1CC[C@]2(CCOC2)C1)CCCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000189078456 841131935 /nfs/dbraw/zinc/13/19/35/841131935.db2.gz CTULAKYZAOMUSA-GOTSBHOMSA-N 2 1 378.601 3.942 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417743082 841180238 /nfs/dbraw/zinc/18/02/38/841180238.db2.gz WOVHPVOLWVXHNL-JOCHJYFZSA-N 2 1 398.551 3.618 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417743082 841180245 /nfs/dbraw/zinc/18/02/45/841180245.db2.gz WOVHPVOLWVXHNL-JOCHJYFZSA-N 2 1 398.551 3.618 20 0 GHADMP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1Br ZINC000500978966 844615545 /nfs/dbraw/zinc/61/55/45/844615545.db2.gz PILXZPFLQIDSJL-UHFFFAOYSA-N 2 1 394.401 3.748 20 0 GHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000549918888 844620382 /nfs/dbraw/zinc/62/03/82/844620382.db2.gz BTPWBWYMVGBNNL-UHFFFAOYSA-N 2 1 396.579 3.776 20 0 GHADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000430581616 841241453 /nfs/dbraw/zinc/24/14/53/841241453.db2.gz USVXWORBBKHXST-INIZCTEOSA-N 2 1 378.586 3.519 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430590011 841273626 /nfs/dbraw/zinc/27/36/26/841273626.db2.gz JQUAWYBXVBQDGJ-CYBMUJFWSA-N 2 1 398.429 3.646 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(Cl)c1 ZINC000364173099 841289889 /nfs/dbraw/zinc/28/98/89/841289889.db2.gz CWTIFHZZRCWJHI-UHFFFAOYSA-N 2 1 377.960 3.608 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000510420341 841307756 /nfs/dbraw/zinc/30/77/56/841307756.db2.gz PCLIJBVQCAQLNL-YVWKXTFCSA-N 2 1 397.485 3.737 20 0 GHADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000417991342 841359056 /nfs/dbraw/zinc/35/90/56/841359056.db2.gz LJSIGMRHCLLCPK-NQSCKRDGSA-N 2 1 386.584 3.762 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@@H](C)C1 ZINC000651710244 841409727 /nfs/dbraw/zinc/40/97/27/841409727.db2.gz VOFHRDDUSPTZKB-CVDCTZTESA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@@H](C)C1 ZINC000651710244 841409731 /nfs/dbraw/zinc/40/97/31/841409731.db2.gz VOFHRDDUSPTZKB-CVDCTZTESA-N 2 1 384.568 3.716 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000650417993 841455921 /nfs/dbraw/zinc/45/59/21/841455921.db2.gz LTZQVFJBVGYTSD-RTBURBONSA-N 2 1 388.581 3.623 20 0 GHADMP [NH3+][C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000662832756 841725562 /nfs/dbraw/zinc/72/55/62/841725562.db2.gz YCZDHRITPHQDKP-IBGZPJMESA-N 2 1 391.487 3.791 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000661514909 841834934 /nfs/dbraw/zinc/83/49/34/841834934.db2.gz UGRVIPIICOYCSS-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2cn(CC3CC3)nc21 ZINC001167823380 841995366 /nfs/dbraw/zinc/99/53/66/841995366.db2.gz KYVGRROIIFEEHW-GHTZIAJQSA-N 2 1 376.589 3.739 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001167824528 842028718 /nfs/dbraw/zinc/02/87/18/842028718.db2.gz PENKQQMWOFFERR-ACIOBRDBSA-N 2 1 389.584 3.732 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NCc1ncc(C[NH+](C)C)s1 ZINC000512030773 842198492 /nfs/dbraw/zinc/19/84/92/842198492.db2.gz LBXSUBGDLDKQQO-UHFFFAOYSA-N 2 1 376.595 3.674 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2)cc1 ZINC001167834361 842236237 /nfs/dbraw/zinc/23/62/37/842236237.db2.gz IWWWXNFYLOJUMH-UGKGYDQZSA-N 2 1 389.584 3.790 20 0 GHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)cc1 ZINC000177980510 861291501 /nfs/dbraw/zinc/29/15/01/861291501.db2.gz LMHHUHNRFZJVFT-DENIHFKCSA-N 2 1 395.547 3.627 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C2)C1 ZINC000652346661 842315652 /nfs/dbraw/zinc/31/56/52/842315652.db2.gz DGJGGLKKVAOYMH-TXTKFYIRSA-N 2 1 399.579 3.571 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348842 842327891 /nfs/dbraw/zinc/32/78/91/842327891.db2.gz SWNKAYUQRUHDFU-LLDVTBCESA-N 2 1 378.467 3.711 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348905 842328377 /nfs/dbraw/zinc/32/83/77/842328377.db2.gz VTCGPAASHNCHSZ-FTRWYGJKSA-N 2 1 387.549 3.537 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657321 861302941 /nfs/dbraw/zinc/30/29/41/861302941.db2.gz NMDWHHWVJVAJKI-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623657321 861302955 /nfs/dbraw/zinc/30/29/55/861302955.db2.gz NMDWHHWVJVAJKI-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000891597519 842399541 /nfs/dbraw/zinc/39/95/41/842399541.db2.gz RMQWXNLMVDAMAB-HGHGUNKESA-N 2 1 392.613 3.538 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167841390 842413439 /nfs/dbraw/zinc/41/34/39/842413439.db2.gz MBDYXVHYBYGFSQ-HOTGVXAUSA-N 2 1 377.520 3.731 20 0 GHADMP Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026208299 842503873 /nfs/dbraw/zinc/50/38/73/842503873.db2.gz ORKORELTJZKAQK-FQEVSTJZSA-N 2 1 379.548 3.596 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509731795 842727580 /nfs/dbraw/zinc/72/75/80/842727580.db2.gz WQYDSOLYKDXBGH-SIKLNZKXSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509731795 842727587 /nfs/dbraw/zinc/72/75/87/842727587.db2.gz WQYDSOLYKDXBGH-SIKLNZKXSA-N 2 1 397.567 3.572 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563086238 842739372 /nfs/dbraw/zinc/73/93/72/842739372.db2.gz FCYSBHNGZNDHLI-ADLFWFRXSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563086238 842739373 /nfs/dbraw/zinc/73/93/73/842739373.db2.gz FCYSBHNGZNDHLI-ADLFWFRXSA-N 2 1 381.923 3.509 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471858940 842888122 /nfs/dbraw/zinc/88/81/22/842888122.db2.gz ISIHAZBXEWZUGI-YADHBBJMSA-N 2 1 379.548 3.914 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471858940 842888135 /nfs/dbraw/zinc/88/81/35/842888135.db2.gz ISIHAZBXEWZUGI-YADHBBJMSA-N 2 1 379.548 3.914 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248369 843014247 /nfs/dbraw/zinc/01/42/47/843014247.db2.gz AAVIHPGYOGFYCJ-IBGZPJMESA-N 2 1 394.544 3.554 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000471864702 843025460 /nfs/dbraw/zinc/02/54/60/843025460.db2.gz IRSXFDNZDBTKOO-QUCCMNQESA-N 2 1 393.560 3.772 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000471864702 843025465 /nfs/dbraw/zinc/02/54/65/843025465.db2.gz IRSXFDNZDBTKOO-QUCCMNQESA-N 2 1 393.560 3.772 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295105 843086544 /nfs/dbraw/zinc/08/65/44/843086544.db2.gz FFJPXUIVCNGBHZ-SQGPQFPESA-N 2 1 383.536 3.710 20 0 GHADMP CC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000165202440 843104724 /nfs/dbraw/zinc/10/47/24/843104724.db2.gz PSNQOMZQRRVXMP-JTHBVZDNSA-N 2 1 395.591 3.764 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])c2)cs1 ZINC000662313828 843134949 /nfs/dbraw/zinc/13/49/49/843134949.db2.gz NTCIAFDFEIBEHO-FOIQADDNSA-N 2 1 386.565 3.896 20 0 GHADMP COc1ccccc1CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327138 843142090 /nfs/dbraw/zinc/14/20/90/843142090.db2.gz KKGAFZMFTVMLIL-UHFFFAOYSA-N 2 1 382.552 3.698 20 0 GHADMP FC(F)Oc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662328173 843156414 /nfs/dbraw/zinc/15/64/14/843156414.db2.gz ZLMWYIGTJJHXQJ-UHFFFAOYSA-N 2 1 390.478 3.858 20 0 GHADMP COc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1Cl ZINC000662326789 843156438 /nfs/dbraw/zinc/15/64/38/843156438.db2.gz CAINMNCMCMEIRL-UHFFFAOYSA-N 2 1 388.943 3.918 20 0 GHADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000662353259 843166526 /nfs/dbraw/zinc/16/65/26/843166526.db2.gz FKHFWSJGMSGNOY-UHFFFAOYSA-N 2 1 391.540 3.505 20 0 GHADMP C[NH2+][C@H](C(=O)NCc1ccccc1C[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662354325 843167653 /nfs/dbraw/zinc/16/76/53/843167653.db2.gz COTNMSVRHJWBDX-SFHVURJKSA-N 2 1 380.319 3.632 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)c1cccc2c1C[NH2+]C2)C1CCCCC1 ZINC000662399926 843186203 /nfs/dbraw/zinc/18/62/03/843186203.db2.gz WRSZDLFJKFNGSU-UHFFFAOYSA-N 2 1 377.532 3.984 20 0 GHADMP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663343657 843249912 /nfs/dbraw/zinc/24/99/12/843249912.db2.gz AMUXDJPVDZCORH-SFHVURJKSA-N 2 1 389.971 3.656 20 0 GHADMP COc1cccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000091709114 843340679 /nfs/dbraw/zinc/34/06/79/843340679.db2.gz YNHZKDCLSYTAIJ-UHFFFAOYSA-N 2 1 383.536 3.812 20 0 GHADMP COc1cccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000091709114 843340687 /nfs/dbraw/zinc/34/06/87/843340687.db2.gz YNHZKDCLSYTAIJ-UHFFFAOYSA-N 2 1 383.536 3.812 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512295552 843341570 /nfs/dbraw/zinc/34/15/70/843341570.db2.gz PUYWSPFCCFTBBX-ZYKOEDHHSA-N 2 1 391.559 3.897 20 0 GHADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662513125 843375771 /nfs/dbraw/zinc/37/57/71/843375771.db2.gz YZGGWWYPXTWNEW-NBQZKYEYSA-N 2 1 383.939 3.599 20 0 GHADMP Cn1c(CC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)nc2ccccc21 ZINC000432675034 843421246 /nfs/dbraw/zinc/42/12/46/843421246.db2.gz HMBXWDRBFXYKJZ-FQEVSTJZSA-N 2 1 380.561 3.822 20 0 GHADMP Cn1c(CC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)nc2ccccc21 ZINC000432675035 843421554 /nfs/dbraw/zinc/42/15/54/843421554.db2.gz HMBXWDRBFXYKJZ-HXUWFJFHSA-N 2 1 380.561 3.822 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000432673373 843421688 /nfs/dbraw/zinc/42/16/88/843421688.db2.gz VMVMJSUOXSWEEZ-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000432673373 843421695 /nfs/dbraw/zinc/42/16/95/843421695.db2.gz VMVMJSUOXSWEEZ-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587430 843423253 /nfs/dbraw/zinc/42/32/53/843423253.db2.gz CYYQBEGSYKMPRE-NHCUHLMSSA-N 2 1 398.595 3.731 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418663080 843515440 /nfs/dbraw/zinc/51/54/40/843515440.db2.gz WGNREMAHKGAASA-VIZSFHNOSA-N 2 1 394.563 3.771 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418674999 843525898 /nfs/dbraw/zinc/52/58/98/843525898.db2.gz PGOWFJYDEFVNIL-NZQKXSOJSA-N 2 1 394.563 3.630 20 0 GHADMP [NH3+][C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1F ZINC000662698391 843530277 /nfs/dbraw/zinc/53/02/77/843530277.db2.gz LFIHBUVZYSUZTM-OAQYLSRUSA-N 2 1 387.474 3.657 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000178985386 861448721 /nfs/dbraw/zinc/44/87/21/861448721.db2.gz QRPMRPAAQVNZIG-ONTIZHBOSA-N 2 1 396.535 3.551 20 0 GHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253795 843729647 /nfs/dbraw/zinc/72/96/47/843729647.db2.gz RQIBYRGDUQTCQV-NRFANRHFSA-N 2 1 389.547 3.767 20 0 GHADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253795 843729658 /nfs/dbraw/zinc/72/96/58/843729658.db2.gz RQIBYRGDUQTCQV-NRFANRHFSA-N 2 1 389.547 3.767 20 0 GHADMP C[NH+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253795 843729672 /nfs/dbraw/zinc/72/96/72/843729672.db2.gz RQIBYRGDUQTCQV-NRFANRHFSA-N 2 1 389.547 3.767 20 0 GHADMP C[NH+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253795 843729687 /nfs/dbraw/zinc/72/96/87/843729687.db2.gz RQIBYRGDUQTCQV-NRFANRHFSA-N 2 1 389.547 3.767 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000500623632 843745526 /nfs/dbraw/zinc/74/55/26/843745526.db2.gz IDFWMDRWEZIBGB-LBWSFECWSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000500623632 843745534 /nfs/dbraw/zinc/74/55/34/843745534.db2.gz IDFWMDRWEZIBGB-LBWSFECWSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000500623632 843745540 /nfs/dbraw/zinc/74/55/40/843745540.db2.gz IDFWMDRWEZIBGB-LBWSFECWSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)Oc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000512819219 843799419 /nfs/dbraw/zinc/79/94/19/843799419.db2.gz ASKVURSOKTZKQP-DEOSSOPVSA-N 2 1 381.564 3.942 20 0 GHADMP Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411634673 843811856 /nfs/dbraw/zinc/81/18/56/843811856.db2.gz CDUAJQYXQWZMNG-GOSISDBHSA-N 2 1 385.474 3.567 20 0 GHADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3CC)cc2Cl)CC1 ZINC000729338257 844861173 /nfs/dbraw/zinc/86/11/73/844861173.db2.gz AUPAEXDKANZBQQ-HXUWFJFHSA-N 2 1 392.975 3.685 20 0 GHADMP Cc1nc(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000549868187 844931071 /nfs/dbraw/zinc/93/10/71/844931071.db2.gz RBKZZQRNVXOAEW-FQEVSTJZSA-N 2 1 385.577 3.778 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000512690014 845044789 /nfs/dbraw/zinc/04/47/89/845044789.db2.gz KRCJGCUIULZCSC-ROUUACIJSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000513237869 845125328 /nfs/dbraw/zinc/12/53/28/845125328.db2.gz GOZHUOCPMOHNGL-HLRQEUIKSA-N 2 1 388.502 3.866 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000513237869 845125333 /nfs/dbraw/zinc/12/53/33/845125333.db2.gz GOZHUOCPMOHNGL-HLRQEUIKSA-N 2 1 388.502 3.866 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433069741 845162085 /nfs/dbraw/zinc/16/20/85/845162085.db2.gz DPSORJUZUKPNLI-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248402792 845301712 /nfs/dbraw/zinc/30/17/12/845301712.db2.gz NTMTVHDBEDZWLA-MZURWIMNSA-N 2 1 380.532 3.619 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000047883707 845442641 /nfs/dbraw/zinc/44/26/41/845442641.db2.gz ZJSRKUIXDBZBIX-IBGZPJMESA-N 2 1 386.584 3.733 20 0 GHADMP CNC(=O)c1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433172704 845598480 /nfs/dbraw/zinc/59/84/80/845598480.db2.gz DGDMRAAPLJXZMJ-UHFFFAOYSA-N 2 1 377.532 3.534 20 0 GHADMP CCC[C@]1(C)CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001167508050 845781694 /nfs/dbraw/zinc/78/16/94/845781694.db2.gz CYGMDGQEZGVLMP-XMMPIXPASA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@]1(C)CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001167508050 845781702 /nfs/dbraw/zinc/78/17/02/845781702.db2.gz CYGMDGQEZGVLMP-XMMPIXPASA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@]1(C)CCC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001167508050 845781711 /nfs/dbraw/zinc/78/17/11/845781711.db2.gz CYGMDGQEZGVLMP-XMMPIXPASA-N 2 1 385.596 3.932 20 0 GHADMP CSCC[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536427419 845787476 /nfs/dbraw/zinc/78/74/76/845787476.db2.gz WYPQNFYRRZXKFD-LPHOPBHVSA-N 2 1 398.016 3.667 20 0 GHADMP CSCC[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536427419 845787486 /nfs/dbraw/zinc/78/74/86/845787486.db2.gz WYPQNFYRRZXKFD-LPHOPBHVSA-N 2 1 398.016 3.667 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000472089973 845787587 /nfs/dbraw/zinc/78/75/87/845787587.db2.gz IZZXDFWSIDBBFZ-UYAOXDASSA-N 2 1 394.629 3.894 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000157848427 846223747 /nfs/dbraw/zinc/22/37/47/846223747.db2.gz YKONFYBSQTUMPE-ROUUACIJSA-N 2 1 391.556 3.665 20 0 GHADMP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000502648268 846313624 /nfs/dbraw/zinc/31/36/24/846313624.db2.gz MLURRNAVQPVOSN-IKJYFWGWSA-N 2 1 378.605 3.592 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC000657335720 846328085 /nfs/dbraw/zinc/32/80/85/846328085.db2.gz UGJBASNTSDOSBX-UPVQGACJSA-N 2 1 380.532 3.856 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3c(C(F)(F)F)cnn3C)c2)CC1 ZINC000657349350 846444158 /nfs/dbraw/zinc/44/41/58/846444158.db2.gz QZCCBBNSJNZSKJ-UHFFFAOYSA-N 2 1 380.458 3.961 20 0 GHADMP CC(C)[C@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501045354 846570692 /nfs/dbraw/zinc/57/06/92/846570692.db2.gz IWRRBOCIZKNDKF-DEOSSOPVSA-N 2 1 394.563 3.743 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501070072 846600798 /nfs/dbraw/zinc/60/07/98/846600798.db2.gz QWGGKTBIILIDGI-QHCPKHFHSA-N 2 1 397.563 3.595 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C(C)C)cc1 ZINC000271736742 846906744 /nfs/dbraw/zinc/90/67/44/846906744.db2.gz DHCUGKJFZPWWOE-QHCPKHFHSA-N 2 1 395.547 3.570 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000501531944 846998279 /nfs/dbraw/zinc/99/82/79/846998279.db2.gz FBJDFHQPSHTPAM-RTBURBONSA-N 2 1 390.572 3.792 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC([C@@H]4CCC[NH2+]4)CC3)c2c1C ZINC000420221645 847061934 /nfs/dbraw/zinc/06/19/34/847061934.db2.gz UQCQDXNYOPCINY-SFHVURJKSA-N 2 1 399.608 3.872 20 0 GHADMP C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272527925 847100704 /nfs/dbraw/zinc/10/07/04/847100704.db2.gz AOKFPRHPYPBING-RBBKRZOGSA-N 2 1 391.559 3.809 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1 ZINC000420312799 847110371 /nfs/dbraw/zinc/11/03/71/847110371.db2.gz XHRWPHOGIRASLN-QGZVFWFLSA-N 2 1 390.549 3.609 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1 ZINC000420312799 847110380 /nfs/dbraw/zinc/11/03/80/847110380.db2.gz XHRWPHOGIRASLN-QGZVFWFLSA-N 2 1 390.549 3.609 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000164689281 847117881 /nfs/dbraw/zinc/11/78/81/847117881.db2.gz GJYRJHWOEUYGBK-ZDUSSCGKSA-N 2 1 383.277 3.927 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000420342566 847120929 /nfs/dbraw/zinc/12/09/29/847120929.db2.gz POXNGJMLUVXLLE-HNNXBMFYSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272613617 847125588 /nfs/dbraw/zinc/12/55/88/847125588.db2.gz WVAWKBQMGYFEEH-PKOBYXMFSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272811256 847179352 /nfs/dbraw/zinc/17/93/52/847179352.db2.gz ARCVBAYXDROITF-GHTZIAJQSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272811256 847179365 /nfs/dbraw/zinc/17/93/65/847179365.db2.gz ARCVBAYXDROITF-GHTZIAJQSA-N 2 1 379.504 3.786 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272884593 847198399 /nfs/dbraw/zinc/19/83/99/847198399.db2.gz NYNUIBGZVLTZKN-WIYYLYMNSA-N 2 1 386.561 3.623 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272884593 847198404 /nfs/dbraw/zinc/19/84/04/847198404.db2.gz NYNUIBGZVLTZKN-WIYYLYMNSA-N 2 1 386.561 3.623 20 0 GHADMP COc1cccc([C@@H](C)[NH2+]CC2(C[NH2+][C@H](C)c3cccc(OC)c3)COC2)c1 ZINC000272975853 847219842 /nfs/dbraw/zinc/21/98/42/847219842.db2.gz PRWCMIKVGBZLFG-QZTJIDSGSA-N 2 1 384.520 3.722 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)CC1 ZINC000511141827 847421539 /nfs/dbraw/zinc/42/15/39/847421539.db2.gz NHCHTVMVADJUBE-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503199313 847460434 /nfs/dbraw/zinc/46/04/34/847460434.db2.gz PHRQCKUEWPTFSI-LNLFQRSKSA-N 2 1 395.551 3.646 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503199313 847460448 /nfs/dbraw/zinc/46/04/48/847460448.db2.gz PHRQCKUEWPTFSI-LNLFQRSKSA-N 2 1 395.551 3.646 20 0 GHADMP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000422246126 847489732 /nfs/dbraw/zinc/48/97/32/847489732.db2.gz RIANZDBHEGJKGP-ZXDFIECXSA-N 2 1 386.584 3.726 20 0 GHADMP COc1cccc(NC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000420917509 847537943 /nfs/dbraw/zinc/53/79/43/847537943.db2.gz SDPLHFHREJISHH-UHFFFAOYSA-N 2 1 395.547 3.604 20 0 GHADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000420927660 847547281 /nfs/dbraw/zinc/54/72/81/847547281.db2.gz BTRWTYOGXXMZMK-XMMPIXPASA-N 2 1 394.515 3.531 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000420933877 847552731 /nfs/dbraw/zinc/55/27/31/847552731.db2.gz IQMSWJYPKIIZGG-GOSISDBHSA-N 2 1 393.531 3.718 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000502158451 847562192 /nfs/dbraw/zinc/56/21/92/847562192.db2.gz POESXWSECYAZPU-MMKMLUHNSA-N 2 1 398.551 3.529 20 0 GHADMP OCC1([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)CCCC1 ZINC000420971865 847599166 /nfs/dbraw/zinc/59/91/66/847599166.db2.gz LCJJDKBUUDKGHF-DEOSSOPVSA-N 2 1 394.559 3.902 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3cccc(Cl)c3)CC2)CC1 ZINC000420975306 847602448 /nfs/dbraw/zinc/60/24/48/847602448.db2.gz FPGIPTLYBIRSOC-UHFFFAOYSA-N 2 1 379.976 3.601 20 0 GHADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422801913 847829849 /nfs/dbraw/zinc/82/98/49/847829849.db2.gz COGDKASTNAVALI-KNXALSJPSA-N 2 1 385.455 3.671 20 0 GHADMP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062404 847842239 /nfs/dbraw/zinc/84/22/39/847842239.db2.gz QVMQJWNDQZEKND-GOSISDBHSA-N 2 1 383.536 3.996 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000422835351 847847735 /nfs/dbraw/zinc/84/77/35/847847735.db2.gz IKRKHGSCLXCQLM-YTAKYCMFSA-N 2 1 391.559 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCN1Cc1ccccc1 ZINC000422835351 847847745 /nfs/dbraw/zinc/84/77/45/847847745.db2.gz IKRKHGSCLXCQLM-YTAKYCMFSA-N 2 1 391.559 3.885 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000075007552 848168520 /nfs/dbraw/zinc/16/85/20/848168520.db2.gz SNHBIXRJNRPEFK-UHFFFAOYSA-N 2 1 375.557 3.571 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Br)c1 ZINC000657595392 848288193 /nfs/dbraw/zinc/28/81/93/848288193.db2.gz HVOVUSHWAVUHKC-LJQANCHMSA-N 2 1 389.337 3.614 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000472266389 848457274 /nfs/dbraw/zinc/45/72/74/848457274.db2.gz WNOJIUQRBPNEJZ-HXUWFJFHSA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000472266389 848457283 /nfs/dbraw/zinc/45/72/83/848457283.db2.gz WNOJIUQRBPNEJZ-HXUWFJFHSA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000472269577 848533711 /nfs/dbraw/zinc/53/37/11/848533711.db2.gz WVKUXUUPUIDKHY-OALUTQOASA-N 2 1 375.557 3.570 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000472269577 848533722 /nfs/dbraw/zinc/53/37/22/848533722.db2.gz WVKUXUUPUIDKHY-OALUTQOASA-N 2 1 375.557 3.570 20 0 GHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)CC2)cc1 ZINC000431511291 848812854 /nfs/dbraw/zinc/81/28/54/848812854.db2.gz KMBTWKIFCFZXQB-QHCPKHFHSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)CC2)cc1 ZINC000431511291 848812858 /nfs/dbraw/zinc/81/28/58/848812858.db2.gz KMBTWKIFCFZXQB-QHCPKHFHSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000431511291 848812863 /nfs/dbraw/zinc/81/28/63/848812863.db2.gz KMBTWKIFCFZXQB-QHCPKHFHSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000431511291 848812868 /nfs/dbraw/zinc/81/28/68/848812868.db2.gz KMBTWKIFCFZXQB-QHCPKHFHSA-N 2 1 399.579 3.527 20 0 GHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640617459 848826567 /nfs/dbraw/zinc/82/65/67/848826567.db2.gz TVTSVQLSGZCTEE-FQEVSTJZSA-N 2 1 395.551 3.519 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640617459 848826576 /nfs/dbraw/zinc/82/65/76/848826576.db2.gz TVTSVQLSGZCTEE-FQEVSTJZSA-N 2 1 395.551 3.519 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180096931 861951046 /nfs/dbraw/zinc/95/10/46/861951046.db2.gz RHVNSOQIRXZNBK-LJQANCHMSA-N 2 1 380.374 3.517 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCCO2 ZINC000162228014 848867295 /nfs/dbraw/zinc/86/72/95/848867295.db2.gz DNQPEXJGSRYQFB-HXUWFJFHSA-N 2 1 382.508 3.574 20 0 GHADMP O=c1ccccn1Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000238060840 848946452 /nfs/dbraw/zinc/94/64/52/848946452.db2.gz AQQJUKANNVIMIP-UHFFFAOYSA-N 2 1 387.527 3.651 20 0 GHADMP C[NH+](C)CCCOc1cnccc1CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000673852024 861967284 /nfs/dbraw/zinc/96/72/84/861967284.db2.gz RLDKDBYUYMLOFJ-JOCHJYFZSA-N 2 1 396.579 3.555 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000673852024 861967297 /nfs/dbraw/zinc/96/72/97/861967297.db2.gz RLDKDBYUYMLOFJ-JOCHJYFZSA-N 2 1 396.579 3.555 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000583100065 849060401 /nfs/dbraw/zinc/06/04/01/849060401.db2.gz HPOPBASGINFMHR-OAQYLSRUSA-N 2 1 389.971 3.640 20 0 GHADMP CCCCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H](C)c1ccc(C)o1 ZINC000604208752 861994234 /nfs/dbraw/zinc/99/42/34/861994234.db2.gz MNCXPEYLDGLTGU-OALUTQOASA-N 2 1 390.572 3.629 20 0 GHADMP CCCCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccc(C)o1 ZINC000604208752 861994245 /nfs/dbraw/zinc/99/42/45/861994245.db2.gz MNCXPEYLDGLTGU-OALUTQOASA-N 2 1 390.572 3.629 20 0 GHADMP Cc1ccc(COc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000657750270 849599423 /nfs/dbraw/zinc/59/94/23/849599423.db2.gz FZAVJBDQZBNWSF-QHCPKHFHSA-N 2 1 380.532 3.917 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000423148434 849760581 /nfs/dbraw/zinc/76/05/81/849760581.db2.gz GAGACZVMJAEDLK-WZONZLPQSA-N 2 1 386.584 3.510 20 0 GHADMP [NH3+][C@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000583439028 849890483 /nfs/dbraw/zinc/89/04/83/849890483.db2.gz SHKWJUAKQQQABD-JOCHJYFZSA-N 2 1 377.532 3.591 20 0 GHADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1I ZINC000423405554 849910376 /nfs/dbraw/zinc/91/03/76/849910376.db2.gz YBVARXGJDPCOEA-LBPRGKRZSA-N 2 1 378.257 3.745 20 0 GHADMP Brc1ccccc1-c1nc2c(s1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423430142 849927045 /nfs/dbraw/zinc/92/70/45/849927045.db2.gz KQCNGEKSWAFHBX-CQJJVWNLSA-N 2 1 390.350 3.757 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccc(F)cc2)cc1 ZINC000423501484 849945709 /nfs/dbraw/zinc/94/57/09/849945709.db2.gz CUPNQMKVMGYZKV-UBVWURDFSA-N 2 1 397.538 3.730 20 0 GHADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(OC(F)(F)F)ccc21 ZINC000899878465 862074085 /nfs/dbraw/zinc/07/40/85/862074085.db2.gz SFXQQQDYJXLQRK-CQSZACIVSA-N 2 1 395.425 3.823 20 0 GHADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423494135 849955347 /nfs/dbraw/zinc/95/53/47/849955347.db2.gz RSRKHPRSZGVDGF-SWLSCSKDSA-N 2 1 395.263 3.887 20 0 GHADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423494136 849955477 /nfs/dbraw/zinc/95/54/77/849955477.db2.gz RSRKHPRSZGVDGF-WFASDCNBSA-N 2 1 395.263 3.887 20 0 GHADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423494133 849955719 /nfs/dbraw/zinc/95/57/19/849955719.db2.gz RSRKHPRSZGVDGF-DOMZBBRYSA-N 2 1 395.263 3.887 20 0 GHADMP Clc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423514159 849962916 /nfs/dbraw/zinc/96/29/16/849962916.db2.gz MDFDQUWQTJRIFV-HOTGVXAUSA-N 2 1 377.941 3.809 20 0 GHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC(F)F ZINC000423565061 849981240 /nfs/dbraw/zinc/98/12/40/849981240.db2.gz LKURGKWTGNZJGM-KRWDZBQOSA-N 2 1 389.490 3.932 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424296587 850339669 /nfs/dbraw/zinc/33/96/69/850339669.db2.gz RZCVSNQOMBOOPL-HNNXBMFYSA-N 2 1 385.533 3.561 20 0 GHADMP COc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OCc1ccncc1 ZINC000424375045 850414771 /nfs/dbraw/zinc/41/47/71/850414771.db2.gz JBRVTMLGHZMHDK-GOSISDBHSA-N 2 1 381.520 3.633 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cn(-c3cccc(Cl)c3Cl)nn1)CC[NH2+]CC2 ZINC000424383327 850421653 /nfs/dbraw/zinc/42/16/53/850421653.db2.gz UCWVOQFVXWRFLQ-ZDUSSCGKSA-N 2 1 380.323 3.538 20 0 GHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414786385 850443516 /nfs/dbraw/zinc/44/35/16/850443516.db2.gz AXPYJGFSIJLCNR-OAQYLSRUSA-N 2 1 394.519 3.629 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424439510 850450982 /nfs/dbraw/zinc/45/09/82/850450982.db2.gz RQPOXTSUVTZIFV-HXUWFJFHSA-N 2 1 380.536 3.830 20 0 GHADMP Cc1nn2c(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)c(C)nc2s1 ZINC000435428321 850512507 /nfs/dbraw/zinc/51/25/07/850512507.db2.gz ROPWWHIYHIITIX-QGZVFWFLSA-N 2 1 387.578 3.613 20 0 GHADMP Cc1nn2c(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)c(C)nc2s1 ZINC000435428321 850512511 /nfs/dbraw/zinc/51/25/11/850512511.db2.gz ROPWWHIYHIITIX-QGZVFWFLSA-N 2 1 387.578 3.613 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000440008912 850696641 /nfs/dbraw/zinc/69/66/41/850696641.db2.gz YOOLWAJITYMHSQ-UGKGYDQZSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440008912 850696644 /nfs/dbraw/zinc/69/66/44/850696644.db2.gz YOOLWAJITYMHSQ-UGKGYDQZSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440008912 850696651 /nfs/dbraw/zinc/69/66/51/850696651.db2.gz YOOLWAJITYMHSQ-UGKGYDQZSA-N 2 1 375.601 3.897 20 0 GHADMP CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617581 850703268 /nfs/dbraw/zinc/70/32/68/850703268.db2.gz WJAFEZULGOVJDO-NQIIRXRSSA-N 2 1 389.540 3.557 20 0 GHADMP CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435617581 850703270 /nfs/dbraw/zinc/70/32/70/850703270.db2.gz WJAFEZULGOVJDO-NQIIRXRSSA-N 2 1 389.540 3.557 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168372890 850730813 /nfs/dbraw/zinc/73/08/13/850730813.db2.gz NJWWAGAINSAIGO-QFIPXVFZSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168372890 850730822 /nfs/dbraw/zinc/73/08/22/850730822.db2.gz NJWWAGAINSAIGO-QFIPXVFZSA-N 2 1 377.573 3.726 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505299049 850799126 /nfs/dbraw/zinc/79/91/26/850799126.db2.gz VDHANRYUEMILTM-HSZRJFAPSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@@H]2c2cccs2)CC1 ZINC000519287201 850843293 /nfs/dbraw/zinc/84/32/93/850843293.db2.gz YKZADZHZVVVPRT-OAQYLSRUSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2c2cccs2)CC1 ZINC000519287201 850843299 /nfs/dbraw/zinc/84/32/99/850843299.db2.gz YKZADZHZVVVPRT-OAQYLSRUSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2c2cccs2)CC1 ZINC000519287201 850843304 /nfs/dbraw/zinc/84/33/04/850843304.db2.gz YKZADZHZVVVPRT-OAQYLSRUSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000519287201 850843320 /nfs/dbraw/zinc/84/33/20/850843320.db2.gz YKZADZHZVVVPRT-OAQYLSRUSA-N 2 1 397.588 3.928 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000519383349 850990022 /nfs/dbraw/zinc/99/00/22/850990022.db2.gz RQJMMVGPECNRPK-FCEWJHQRSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000519383349 850990031 /nfs/dbraw/zinc/99/00/31/850990031.db2.gz RQJMMVGPECNRPK-FCEWJHQRSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000519383351 850990304 /nfs/dbraw/zinc/99/03/04/850990304.db2.gz RQJMMVGPECNRPK-JTDSTZFVSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000519383351 850990314 /nfs/dbraw/zinc/99/03/14/850990314.db2.gz RQJMMVGPECNRPK-JTDSTZFVSA-N 2 1 380.964 3.505 20 0 GHADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCCCC1 ZINC000513911667 851013537 /nfs/dbraw/zinc/01/35/37/851013537.db2.gz SCRCELFGECCUIS-NRFANRHFSA-N 2 1 385.596 3.915 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425424031 851037237 /nfs/dbraw/zinc/03/72/37/851037237.db2.gz MTEOSMHOIITSPU-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425424031 851037246 /nfs/dbraw/zinc/03/72/46/851037246.db2.gz MTEOSMHOIITSPU-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425424031 851037262 /nfs/dbraw/zinc/03/72/62/851037262.db2.gz MTEOSMHOIITSPU-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425424025 851037452 /nfs/dbraw/zinc/03/74/52/851037452.db2.gz MTEOSMHOIITSPU-ACIOBRDBSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425424025 851037463 /nfs/dbraw/zinc/03/74/63/851037463.db2.gz MTEOSMHOIITSPU-ACIOBRDBSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425424025 851037468 /nfs/dbraw/zinc/03/74/68/851037468.db2.gz MTEOSMHOIITSPU-ACIOBRDBSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000488178422 851230080 /nfs/dbraw/zinc/23/00/80/851230080.db2.gz FXFZZBONJHKMEU-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)C1 ZINC000514154903 851329243 /nfs/dbraw/zinc/32/92/43/851329243.db2.gz ZZWHSTYKGDOYFF-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000436291297 851425944 /nfs/dbraw/zinc/42/59/44/851425944.db2.gz PVQXBPDGRLOPJX-XZOQPEGZSA-N 2 1 377.532 3.500 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436294859 851430924 /nfs/dbraw/zinc/43/09/24/851430924.db2.gz XRNHLZQAINLYPC-UHFFFAOYSA-N 2 1 395.576 3.566 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000110917144 851479437 /nfs/dbraw/zinc/47/94/37/851479437.db2.gz KSKPCCDZSWFCBK-UHFFFAOYSA-N 2 1 387.474 3.747 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000110917144 851479441 /nfs/dbraw/zinc/47/94/41/851479441.db2.gz KSKPCCDZSWFCBK-UHFFFAOYSA-N 2 1 387.474 3.747 20 0 GHADMP CN1CC[C@@H](C[N@@H+](C)CCCc2nc(-c3cccs3)no2)[C@@H]1c1cccnc1 ZINC000434747726 851615481 /nfs/dbraw/zinc/61/54/81/851615481.db2.gz POAXEFSYNPXEEE-PXNSSMCTSA-N 2 1 397.548 3.751 20 0 GHADMP CC[N@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488584188 851630504 /nfs/dbraw/zinc/63/05/04/851630504.db2.gz DUUUCJQAUPQSQL-IBGZPJMESA-N 2 1 397.538 3.817 20 0 GHADMP CC[N@@H+](Cc1cccc(F)c1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488584188 851630510 /nfs/dbraw/zinc/63/05/10/851630510.db2.gz DUUUCJQAUPQSQL-IBGZPJMESA-N 2 1 397.538 3.817 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1C(F)(F)F ZINC000101602728 851722485 /nfs/dbraw/zinc/72/24/85/851722485.db2.gz RRKQIWHYWISLSV-OAHLLOKOSA-N 2 1 386.462 3.585 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000473733130 851784056 /nfs/dbraw/zinc/78/40/56/851784056.db2.gz CEBIBZXLFBNHBY-FGZHOGPDSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000473733130 851784061 /nfs/dbraw/zinc/78/40/61/851784061.db2.gz CEBIBZXLFBNHBY-FGZHOGPDSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000473733130 851784065 /nfs/dbraw/zinc/78/40/65/851784065.db2.gz CEBIBZXLFBNHBY-FGZHOGPDSA-N 2 1 386.584 3.735 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473734379 851790041 /nfs/dbraw/zinc/79/00/41/851790041.db2.gz JZAUCVHXVGXBGJ-YGDZHLNZSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473734379 851790051 /nfs/dbraw/zinc/79/00/51/851790051.db2.gz JZAUCVHXVGXBGJ-YGDZHLNZSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473734379 851790062 /nfs/dbraw/zinc/79/00/62/851790062.db2.gz JZAUCVHXVGXBGJ-YGDZHLNZSA-N 2 1 398.595 3.869 20 0 GHADMP Cc1cncc(CC[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835696 851792166 /nfs/dbraw/zinc/79/21/66/851792166.db2.gz GDPMMDWARVRCKN-HSZRJFAPSA-N 2 1 378.564 3.950 20 0 GHADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000180734199 862306321 /nfs/dbraw/zinc/30/63/21/862306321.db2.gz RJUYIXOCSLZRID-YJBOKZPZSA-N 2 1 377.326 3.641 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000180734199 862306337 /nfs/dbraw/zinc/30/63/37/862306337.db2.gz RJUYIXOCSLZRID-YJBOKZPZSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000180734199 862306349 /nfs/dbraw/zinc/30/63/49/862306349.db2.gz RJUYIXOCSLZRID-YJBOKZPZSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000180734199 862306364 /nfs/dbraw/zinc/30/63/64/862306364.db2.gz RJUYIXOCSLZRID-YJBOKZPZSA-N 2 1 377.326 3.641 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)c1 ZINC000489185186 852099185 /nfs/dbraw/zinc/09/91/85/852099185.db2.gz NUNZKNNXSJFWQY-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000489185186 852099189 /nfs/dbraw/zinc/09/91/89/852099189.db2.gz NUNZKNNXSJFWQY-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000489185186 852099192 /nfs/dbraw/zinc/09/91/92/852099192.db2.gz NUNZKNNXSJFWQY-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)ccc2n1 ZINC000438188348 852118722 /nfs/dbraw/zinc/11/87/22/852118722.db2.gz IRNUNLSPPZZGDI-GOTSBHOMSA-N 2 1 375.516 3.516 20 0 GHADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)ccc2n1 ZINC000438188348 852118728 /nfs/dbraw/zinc/11/87/28/852118728.db2.gz IRNUNLSPPZZGDI-GOTSBHOMSA-N 2 1 375.516 3.516 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517640243 852197739 /nfs/dbraw/zinc/19/77/39/852197739.db2.gz XXKZPTAAFPRSTA-AKIFATBCSA-N 2 1 382.548 3.686 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000517640243 852197745 /nfs/dbraw/zinc/19/77/45/852197745.db2.gz XXKZPTAAFPRSTA-AKIFATBCSA-N 2 1 382.548 3.686 20 0 GHADMP CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2)ncn1 ZINC000180775724 862333451 /nfs/dbraw/zinc/33/34/51/862333451.db2.gz GHWDSNGYDYFYMW-LAUBAEHRSA-N 2 1 390.535 3.853 20 0 GHADMP CCCCCOc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000517650841 852228063 /nfs/dbraw/zinc/22/80/63/852228063.db2.gz OPVQBVIQRJNVFW-UHFFFAOYSA-N 2 1 382.508 3.655 20 0 GHADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550271854 852243886 /nfs/dbraw/zinc/24/38/86/852243886.db2.gz ZMYKBFNXNFLLMP-HSZRJFAPSA-N 2 1 396.579 3.791 20 0 GHADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000044229521 852267535 /nfs/dbraw/zinc/26/75/35/852267535.db2.gz LSMYZRHDIAHMJZ-LJQANCHMSA-N 2 1 385.581 3.826 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000044229521 852267542 /nfs/dbraw/zinc/26/75/42/852267542.db2.gz LSMYZRHDIAHMJZ-LJQANCHMSA-N 2 1 385.581 3.826 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000506917241 852331442 /nfs/dbraw/zinc/33/14/42/852331442.db2.gz LPNNDOGBNCZPPR-RZUBCFFCSA-N 2 1 392.632 3.793 20 0 GHADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCCC1 ZINC000426797412 852407777 /nfs/dbraw/zinc/40/77/77/852407777.db2.gz FFWJXEDCIKCULY-PKOBYXMFSA-N 2 1 377.598 3.759 20 0 GHADMP Cc1ccc(C)c(OCCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000516339727 852438405 /nfs/dbraw/zinc/43/84/05/852438405.db2.gz DXIFUPXWYFENKM-UHFFFAOYSA-N 2 1 396.535 3.638 20 0 GHADMP Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000489708840 852538113 /nfs/dbraw/zinc/53/81/13/852538113.db2.gz AOAVHZMKBCKZPK-ZTCOLXNVSA-N 2 1 399.623 3.969 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000489852649 852609271 /nfs/dbraw/zinc/60/92/71/852609271.db2.gz RCVWVXPABRMJOD-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000489871873 852639153 /nfs/dbraw/zinc/63/91/53/852639153.db2.gz NRLHZQGCQZTNCX-PKTZIBPZSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000489871873 852639160 /nfs/dbraw/zinc/63/91/60/852639160.db2.gz NRLHZQGCQZTNCX-PKTZIBPZSA-N 2 1 395.547 3.641 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(OC)c1 ZINC000507491494 852973863 /nfs/dbraw/zinc/97/38/63/852973863.db2.gz CAOBYAJKVYCJDV-BVYCBKJFSA-N 2 1 396.531 3.713 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c(OC)c1 ZINC000507491494 852973868 /nfs/dbraw/zinc/97/38/68/852973868.db2.gz CAOBYAJKVYCJDV-BVYCBKJFSA-N 2 1 396.531 3.713 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000516765441 852974114 /nfs/dbraw/zinc/97/41/14/852974114.db2.gz CVJYECVZWZXSGF-WMZHIEFXSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000516765441 852974120 /nfs/dbraw/zinc/97/41/20/852974120.db2.gz CVJYECVZWZXSGF-WMZHIEFXSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000516765442 852974288 /nfs/dbraw/zinc/97/42/88/852974288.db2.gz CVJYECVZWZXSGF-XXBNENTESA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000516765442 852974297 /nfs/dbraw/zinc/97/42/97/852974297.db2.gz CVJYECVZWZXSGF-XXBNENTESA-N 2 1 379.548 3.838 20 0 GHADMP C[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)[C@@H]1c1ccccc1 ZINC000507535445 852996412 /nfs/dbraw/zinc/99/64/12/852996412.db2.gz VIOGIAGRIZEVRG-LFCBLZOASA-N 2 1 375.560 3.932 20 0 GHADMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@H]1c1ccccc1 ZINC000507535445 852996420 /nfs/dbraw/zinc/99/64/20/852996420.db2.gz VIOGIAGRIZEVRG-LFCBLZOASA-N 2 1 375.560 3.932 20 0 GHADMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@H]1c1ccccc1 ZINC000507535445 852996428 /nfs/dbraw/zinc/99/64/28/852996428.db2.gz VIOGIAGRIZEVRG-LFCBLZOASA-N 2 1 375.560 3.932 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@H]1c1ccccc1 ZINC000507535445 852996435 /nfs/dbraw/zinc/99/64/35/852996435.db2.gz VIOGIAGRIZEVRG-LFCBLZOASA-N 2 1 375.560 3.932 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@H]1c1ccccc1 ZINC000507535445 852996442 /nfs/dbraw/zinc/99/64/42/852996442.db2.gz VIOGIAGRIZEVRG-LFCBLZOASA-N 2 1 375.560 3.932 20 0 GHADMP COc1cc(Br)ccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212142886 853158911 /nfs/dbraw/zinc/15/89/11/853158911.db2.gz VFPPDEAOJYBLBP-AWEZNQCLSA-N 2 1 397.317 3.676 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000518291484 853185843 /nfs/dbraw/zinc/18/58/43/853185843.db2.gz SUNRCYOGMQCGJZ-KNQAVFIVSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000623828047 862442717 /nfs/dbraw/zinc/44/27/17/862442717.db2.gz HDMFALQBGGEYSD-NKKJXINNSA-N 2 1 382.548 3.597 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000623828047 862442720 /nfs/dbraw/zinc/44/27/20/862442720.db2.gz HDMFALQBGGEYSD-NKKJXINNSA-N 2 1 382.548 3.597 20 0 GHADMP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473880920 853306121 /nfs/dbraw/zinc/30/61/21/853306121.db2.gz YNHRUTANGQPZFQ-IRLDBZIGSA-N 2 1 386.584 3.729 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000518460946 853374826 /nfs/dbraw/zinc/37/48/26/853374826.db2.gz JLOCRPJWCCMAJU-OAQYLSRUSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000518460946 853374834 /nfs/dbraw/zinc/37/48/34/853374834.db2.gz JLOCRPJWCCMAJU-OAQYLSRUSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000518460946 853374843 /nfs/dbraw/zinc/37/48/43/853374843.db2.gz JLOCRPJWCCMAJU-OAQYLSRUSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490958127 853384042 /nfs/dbraw/zinc/38/40/42/853384042.db2.gz GRRUIKMHSQXELY-PKOBYXMFSA-N 2 1 382.017 3.780 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518507882 853441692 /nfs/dbraw/zinc/44/16/92/853441692.db2.gz NBUZZYZZOFPFNB-WNXIRNOKSA-N 2 1 394.559 3.907 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000518528448 853475329 /nfs/dbraw/zinc/47/53/29/853475329.db2.gz BUIBGVMVNGOSQZ-JOCHJYFZSA-N 2 1 398.595 3.879 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426331491 853490215 /nfs/dbraw/zinc/49/02/15/853490215.db2.gz OQGWJXKVJUSHFH-SFHVURJKSA-N 2 1 381.358 3.773 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCc1ccccn1)Cc1ccncc1 ZINC000517262787 853562776 /nfs/dbraw/zinc/56/27/76/853562776.db2.gz HALJDVNGDZBLAU-UHFFFAOYSA-N 2 1 384.487 3.611 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000517262787 853562781 /nfs/dbraw/zinc/56/27/81/853562781.db2.gz HALJDVNGDZBLAU-UHFFFAOYSA-N 2 1 384.487 3.611 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437846354 853588504 /nfs/dbraw/zinc/58/85/04/853588504.db2.gz RMUJKYHZKKXODI-FYYLOGMGSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846354 853588522 /nfs/dbraw/zinc/58/85/22/853588522.db2.gz RMUJKYHZKKXODI-FYYLOGMGSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437846354 853588533 /nfs/dbraw/zinc/58/85/33/853588533.db2.gz RMUJKYHZKKXODI-FYYLOGMGSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]1C[NH+](CCCNc2cc[nH+]c3cc(Br)ccc23)C[C@@H](C)O1 ZINC000604757273 862497020 /nfs/dbraw/zinc/49/70/20/862497020.db2.gz VDQAWNFZLVLYCM-ZIAGYGMSSA-N 2 1 378.314 3.909 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093960 853826097 /nfs/dbraw/zinc/82/60/97/853826097.db2.gz PWZGJMADLHCUST-PZJWPPBQSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520093960 853826104 /nfs/dbraw/zinc/82/61/04/853826104.db2.gz PWZGJMADLHCUST-PZJWPPBQSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520093960 853826112 /nfs/dbraw/zinc/82/61/12/853826112.db2.gz PWZGJMADLHCUST-PZJWPPBQSA-N 2 1 389.559 3.809 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000507735288 853913366 /nfs/dbraw/zinc/91/33/66/853913366.db2.gz YTPKGOCMYCLYPM-QUCCMNQESA-N 2 1 395.538 3.771 20 0 GHADMP CCCOc1c(Cl)cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OCC ZINC000441354590 854125619 /nfs/dbraw/zinc/12/56/19/854125619.db2.gz FFYIMNQTWLIRMQ-UHFFFAOYSA-N 2 1 397.991 3.643 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000571930685 854255700 /nfs/dbraw/zinc/25/57/00/854255700.db2.gz PXGFREIDEHUQQF-QFIPXVFZSA-N 2 1 381.520 3.826 20 0 GHADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000588710194 854368688 /nfs/dbraw/zinc/36/86/88/854368688.db2.gz RCDKZMQIMIXNQB-RTBURBONSA-N 2 1 387.568 3.570 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993726 854385319 /nfs/dbraw/zinc/38/53/19/854385319.db2.gz QKEFGFINCZOWEB-KMBIXFLUSA-N 2 1 393.575 3.829 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993726 854385322 /nfs/dbraw/zinc/38/53/22/854385322.db2.gz QKEFGFINCZOWEB-KMBIXFLUSA-N 2 1 393.575 3.829 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993726 854385329 /nfs/dbraw/zinc/38/53/29/854385329.db2.gz QKEFGFINCZOWEB-KMBIXFLUSA-N 2 1 393.575 3.829 20 0 GHADMP C[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995034 854429559 /nfs/dbraw/zinc/42/95/59/854429559.db2.gz UWPSKORBDKGUQV-MQEZQYLSSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995034 854429565 /nfs/dbraw/zinc/42/95/65/854429565.db2.gz UWPSKORBDKGUQV-MQEZQYLSSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995034 854429573 /nfs/dbraw/zinc/42/95/73/854429573.db2.gz UWPSKORBDKGUQV-MQEZQYLSSA-N 2 1 391.600 3.971 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)CC2=O)s1 ZINC001167994197 854436494 /nfs/dbraw/zinc/43/64/94/854436494.db2.gz YVROAXJHPSBCGK-SRDOODBNSA-N 2 1 399.604 3.891 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)s1 ZINC001167994197 854436498 /nfs/dbraw/zinc/43/64/98/854436498.db2.gz YVROAXJHPSBCGK-SRDOODBNSA-N 2 1 399.604 3.891 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)s1 ZINC001167994197 854436504 /nfs/dbraw/zinc/43/65/04/854436504.db2.gz YVROAXJHPSBCGK-SRDOODBNSA-N 2 1 399.604 3.891 20 0 GHADMP CC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994280 854436701 /nfs/dbraw/zinc/43/67/01/854436701.db2.gz BCLDKJJSHNWABN-COHPWVSRSA-N 2 1 377.573 3.723 20 0 GHADMP CC[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994280 854436707 /nfs/dbraw/zinc/43/67/07/854436707.db2.gz BCLDKJJSHNWABN-COHPWVSRSA-N 2 1 377.573 3.723 20 0 GHADMP CC[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994280 854436709 /nfs/dbraw/zinc/43/67/09/854436709.db2.gz BCLDKJJSHNWABN-COHPWVSRSA-N 2 1 377.573 3.723 20 0 GHADMP COc1cc2ccnc(N3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2cc1F ZINC000572276221 854470033 /nfs/dbraw/zinc/47/00/33/854470033.db2.gz DKPIGIFHXCJQKB-IYBDPMFKSA-N 2 1 387.499 3.708 20 0 GHADMP COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1NC(C)=O ZINC000572482381 854518842 /nfs/dbraw/zinc/51/88/42/854518842.db2.gz QDCZUCQEZDYSNH-NRFANRHFSA-N 2 1 393.531 3.940 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1NC(C)=O ZINC000572482381 854518847 /nfs/dbraw/zinc/51/88/47/854518847.db2.gz QDCZUCQEZDYSNH-NRFANRHFSA-N 2 1 393.531 3.940 20 0 GHADMP CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000572464940 854535244 /nfs/dbraw/zinc/53/52/44/854535244.db2.gz SDUZMBRHJBMOJK-NRFANRHFSA-N 2 1 394.494 3.847 20 0 GHADMP CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000572464940 854535257 /nfs/dbraw/zinc/53/52/57/854535257.db2.gz SDUZMBRHJBMOJK-NRFANRHFSA-N 2 1 394.494 3.847 20 0 GHADMP O=C(NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000567851385 862592507 /nfs/dbraw/zinc/59/25/07/862592507.db2.gz DUAOIXOOZPHKFB-IBGZPJMESA-N 2 1 383.561 3.655 20 0 GHADMP O=C(NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000567851385 862592520 /nfs/dbraw/zinc/59/25/20/862592520.db2.gz DUAOIXOOZPHKFB-IBGZPJMESA-N 2 1 383.561 3.655 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000616077675 854953405 /nfs/dbraw/zinc/95/34/05/854953405.db2.gz OGBAHVRMAAQMIQ-PMACEKPBSA-N 2 1 380.621 3.508 20 0 GHADMP C[NH2+]CC1CC[NH+]([C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CC1 ZINC000572880649 855031082 /nfs/dbraw/zinc/03/10/82/855031082.db2.gz HAOVAESDBINFPM-JOCHJYFZSA-N 2 1 381.520 3.615 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536353135 855039521 /nfs/dbraw/zinc/03/95/21/855039521.db2.gz FQXRHCMQTOTTAN-XUVXKRRUSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536353135 855039532 /nfs/dbraw/zinc/03/95/32/855039532.db2.gz FQXRHCMQTOTTAN-XUVXKRRUSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536353135 855039543 /nfs/dbraw/zinc/03/95/43/855039543.db2.gz FQXRHCMQTOTTAN-XUVXKRRUSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536353135 855039552 /nfs/dbraw/zinc/03/95/52/855039552.db2.gz FQXRHCMQTOTTAN-XUVXKRRUSA-N 2 1 392.975 3.601 20 0 GHADMP COc1ccc(OC)c(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090888414 855080492 /nfs/dbraw/zinc/08/04/92/855080492.db2.gz MQWAFRLIRDSZPY-UHFFFAOYSA-N 2 1 382.548 3.933 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000589764670 855131348 /nfs/dbraw/zinc/13/13/48/855131348.db2.gz HGVVCXFYVLZJHE-HSALFYBXSA-N 2 1 388.600 3.646 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCCOc1cccc(C(F)(F)F)c1)CCO2 ZINC000646104023 855574073 /nfs/dbraw/zinc/57/40/73/855574073.db2.gz WKZUZNZLIRGEHM-UHFFFAOYSA-N 2 1 386.458 3.661 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000843773972 855695493 /nfs/dbraw/zinc/69/54/93/855695493.db2.gz YNGDPTWPQQVSKN-QGZVFWFLSA-N 2 1 383.540 3.566 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CCCCC1 ZINC000669401829 855869452 /nfs/dbraw/zinc/86/94/52/855869452.db2.gz MSNMRONTLAZOHQ-MDNUFGMLSA-N 2 1 398.595 3.720 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000591427686 855973127 /nfs/dbraw/zinc/97/31/27/855973127.db2.gz JWACIXGPOMKEBC-FQEVSTJZSA-N 2 1 399.579 3.640 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171306726 856085649 /nfs/dbraw/zinc/08/56/49/856085649.db2.gz PTFCZFJZXVXMAV-OALUTQOASA-N 2 1 387.568 3.570 20 0 GHADMP OC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000542840678 856107044 /nfs/dbraw/zinc/10/70/44/856107044.db2.gz CZQPTQHTTDMOII-IBGZPJMESA-N 2 1 381.358 3.869 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000482143884 862760045 /nfs/dbraw/zinc/76/00/45/862760045.db2.gz PJTFAONNSJQKAN-JENIJYKNSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905122148 856168696 /nfs/dbraw/zinc/16/86/96/856168696.db2.gz LIPBAVVJRHVVAL-VEXUSMLFSA-N 2 1 382.548 3.676 20 0 GHADMP [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000669420601 856345343 /nfs/dbraw/zinc/34/53/43/856345343.db2.gz RRCOGHXSVSYVEP-JTHBVZDNSA-N 2 1 394.563 3.678 20 0 GHADMP CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000605165555 862816669 /nfs/dbraw/zinc/81/66/69/862816669.db2.gz JJUKIPMLJRMICJ-PXNSSMCTSA-N 2 1 397.485 3.689 20 0 GHADMP CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000605165555 862816681 /nfs/dbraw/zinc/81/66/81/862816681.db2.gz JJUKIPMLJRMICJ-PXNSSMCTSA-N 2 1 397.485 3.689 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000110970675 856720434 /nfs/dbraw/zinc/72/04/34/856720434.db2.gz RRENYKCYPXZIPJ-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000110970675 856720441 /nfs/dbraw/zinc/72/04/41/856720441.db2.gz RRENYKCYPXZIPJ-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000110970675 856720450 /nfs/dbraw/zinc/72/04/50/856720450.db2.gz RRENYKCYPXZIPJ-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592492221 856899126 /nfs/dbraw/zinc/89/91/26/856899126.db2.gz WWVLMBWTBVKBKA-RBUKOAKNSA-N 2 1 399.560 3.808 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000111518650 856942354 /nfs/dbraw/zinc/94/23/54/856942354.db2.gz FKKVWKUTZKSYMX-UHFFFAOYSA-N 2 1 386.584 3.560 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000665254388 857086763 /nfs/dbraw/zinc/08/67/63/857086763.db2.gz PEMIKXISTHJLME-HSQYWUDLSA-N 2 1 398.547 3.769 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658231176 857099537 /nfs/dbraw/zinc/09/95/37/857099537.db2.gz ANBPMPYFUPITGA-JSNMCINTSA-N 2 1 378.564 3.917 20 0 GHADMP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665257745 857170545 /nfs/dbraw/zinc/17/05/45/857170545.db2.gz SSURQQSDRCOFLV-XVFIICMOSA-N 2 1 381.539 3.771 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465947690 857190665 /nfs/dbraw/zinc/19/06/65/857190665.db2.gz ICTXLMRKJMRLPU-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465947690 857190668 /nfs/dbraw/zinc/19/06/68/857190668.db2.gz ICTXLMRKJMRLPU-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465947690 857190674 /nfs/dbraw/zinc/19/06/74/857190674.db2.gz ICTXLMRKJMRLPU-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000672457989 857362690 /nfs/dbraw/zinc/36/26/90/857362690.db2.gz ZCRQRZKWGZFSIR-UZLBHIALSA-N 2 1 394.991 3.752 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)NC(=O)OC(C)(C)C ZINC000785478830 857371185 /nfs/dbraw/zinc/37/11/85/857371185.db2.gz JNOJEPUPPVHUIK-KRWDZBQOSA-N 2 1 376.545 3.533 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000060580786 857461906 /nfs/dbraw/zinc/46/19/06/857461906.db2.gz GOBOZOAMXFTYJT-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP CCN(C(=O)N[C@H](C)C1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000675536423 857489813 /nfs/dbraw/zinc/48/98/13/857489813.db2.gz KPDKLWNGFQKFDB-KNKQGSTJSA-N 2 1 386.584 3.584 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000521011673 857513857 /nfs/dbraw/zinc/51/38/57/857513857.db2.gz WHGYJSDAGVSQBZ-WMZHIEFXSA-N 2 1 377.532 3.956 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000521103421 857602598 /nfs/dbraw/zinc/60/25/98/857602598.db2.gz OPOLWBWIUPODSV-OAQYLSRUSA-N 2 1 399.623 3.908 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1 ZINC000593924103 857767727 /nfs/dbraw/zinc/76/77/27/857767727.db2.gz BQMJNCILNNEGKT-UHFFFAOYSA-N 2 1 389.584 3.538 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486547054 857834297 /nfs/dbraw/zinc/83/42/97/857834297.db2.gz HTHRCNRKQUZBIS-HKUYNNGSSA-N 2 1 384.520 3.713 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486547054 857834302 /nfs/dbraw/zinc/83/43/02/857834302.db2.gz HTHRCNRKQUZBIS-HKUYNNGSSA-N 2 1 384.520 3.713 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000065714349 857838750 /nfs/dbraw/zinc/83/87/50/857838750.db2.gz PSNMLENSISELRP-UHFFFAOYSA-N 2 1 385.577 3.590 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1)c1cccc2ccccc21 ZINC000676477927 857899190 /nfs/dbraw/zinc/89/91/90/857899190.db2.gz PJNOZIMLJKCDGK-CMKODMSKSA-N 2 1 376.504 3.939 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2)C1)c1cccc2ccccc21 ZINC000676477927 857899192 /nfs/dbraw/zinc/89/91/92/857899192.db2.gz PJNOZIMLJKCDGK-CMKODMSKSA-N 2 1 376.504 3.939 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c2ccccc2)CC1 ZINC000066050093 857900425 /nfs/dbraw/zinc/90/04/25/857900425.db2.gz ZXMNCADZZIBJQL-DHIUTWEWSA-N 2 1 379.548 3.879 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)[C@@H](C)C1 ZINC000676541216 857932875 /nfs/dbraw/zinc/93/28/75/857932875.db2.gz PSQRFWFNGODJTA-NNWRFLSQSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000594095275 857933195 /nfs/dbraw/zinc/93/31/95/857933195.db2.gz SYJPZBRGKGPAHT-REWPJTCUSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482352495 862966203 /nfs/dbraw/zinc/96/62/03/862966203.db2.gz SZNPABSIMXAGAD-INIZCTEOSA-N 2 1 387.490 3.552 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000067684738 858057798 /nfs/dbraw/zinc/05/77/98/858057798.db2.gz DDJFDAOCLUYSLS-UXHICEINSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000067684738 858057805 /nfs/dbraw/zinc/05/78/05/858057805.db2.gz DDJFDAOCLUYSLS-UXHICEINSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000067684738 858057811 /nfs/dbraw/zinc/05/78/11/858057811.db2.gz DDJFDAOCLUYSLS-UXHICEINSA-N 2 1 386.584 3.591 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(Cl)cc1 ZINC000574518165 858066247 /nfs/dbraw/zinc/06/62/47/858066247.db2.gz WAMVVTGWLRZVTJ-OAQYLSRUSA-N 2 1 397.950 3.857 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(Cl)cc1 ZINC000574518165 858066255 /nfs/dbraw/zinc/06/62/55/858066255.db2.gz WAMVVTGWLRZVTJ-OAQYLSRUSA-N 2 1 397.950 3.857 20 0 GHADMP C[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC(C)C1 ZINC000574582916 858070221 /nfs/dbraw/zinc/07/02/21/858070221.db2.gz BIGCJFBQALZFSF-BDWVSVIHSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CC(C)C1 ZINC000574582916 858070229 /nfs/dbraw/zinc/07/02/29/858070229.db2.gz BIGCJFBQALZFSF-BDWVSVIHSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CC(C)C1 ZINC000574582916 858070239 /nfs/dbraw/zinc/07/02/39/858070239.db2.gz BIGCJFBQALZFSF-BDWVSVIHSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)C1 ZINC000521522102 858089036 /nfs/dbraw/zinc/08/90/36/858089036.db2.gz ULUSHYNLTWNXCF-NZQKXSOJSA-N 2 1 398.595 3.688 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)ccc2oc1=O ZINC000624205549 862985559 /nfs/dbraw/zinc/98/55/59/862985559.db2.gz HEUJLANHOJHILR-NJDAHSKKSA-N 2 1 391.515 3.664 20 0 GHADMP C[C@H](CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451333543 858121417 /nfs/dbraw/zinc/12/14/17/858121417.db2.gz BHGGTWONNAXGRI-SJIUFLAJSA-N 2 1 392.628 3.796 20 0 GHADMP C[C@H](CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451333543 858121422 /nfs/dbraw/zinc/12/14/22/858121422.db2.gz BHGGTWONNAXGRI-SJIUFLAJSA-N 2 1 392.628 3.796 20 0 GHADMP C[C@H](CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451333543 858121427 /nfs/dbraw/zinc/12/14/27/858121427.db2.gz BHGGTWONNAXGRI-SJIUFLAJSA-N 2 1 392.628 3.796 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000442826826 858150195 /nfs/dbraw/zinc/15/01/95/858150195.db2.gz YAQHAASGJAPJRJ-UADZTWIMSA-N 2 1 375.516 3.709 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000442826826 858150198 /nfs/dbraw/zinc/15/01/98/858150198.db2.gz YAQHAASGJAPJRJ-UADZTWIMSA-N 2 1 375.516 3.709 20 0 GHADMP C[C@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000181743724 862994571 /nfs/dbraw/zinc/99/45/71/862994571.db2.gz KKCYLDWAPKHIQG-SNWXZZBVSA-N 2 1 398.595 3.746 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1(C)C ZINC000442894448 858215353 /nfs/dbraw/zinc/21/53/53/858215353.db2.gz ZLOZSQLFDRTBBZ-OAQYLSRUSA-N 2 1 386.971 3.634 20 0 GHADMP CCCOc1c(Br)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442923752 858247834 /nfs/dbraw/zinc/24/78/34/858247834.db2.gz RDIQVHDCQGMXLQ-AWEZNQCLSA-N 2 1 385.346 3.807 20 0 GHADMP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001168705001 858314573 /nfs/dbraw/zinc/31/45/73/858314573.db2.gz PLDFXFZNCCDFBF-ACRUOGEOSA-N 2 1 387.999 3.736 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H]1C ZINC000594999273 858361852 /nfs/dbraw/zinc/36/18/52/858361852.db2.gz BUTCAGFBDRAJQE-ZDFPQIBNSA-N 2 1 384.564 3.856 20 0 GHADMP C[C@H](CSCCF)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000595038217 858376805 /nfs/dbraw/zinc/37/68/05/858376805.db2.gz LDPQOJSUMWRWHR-QUCCMNQESA-N 2 1 380.573 3.596 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)c1 ZINC000605399107 863032909 /nfs/dbraw/zinc/03/29/09/863032909.db2.gz XNJFJPQIVHKSHZ-UHFFFAOYSA-N 2 1 386.499 3.514 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000595463224 858538405 /nfs/dbraw/zinc/53/84/05/858538405.db2.gz QFXITTVLEQJAKZ-RTWAWAEBSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000115828618 858680732 /nfs/dbraw/zinc/68/07/32/858680732.db2.gz YPSGXVKYDYCSIV-UXHICEINSA-N 2 1 386.584 3.633 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474058628 858741434 /nfs/dbraw/zinc/74/14/34/858741434.db2.gz YTBNLDCSJMHOGI-KJXAQDMKSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474058628 858741440 /nfs/dbraw/zinc/74/14/40/858741440.db2.gz YTBNLDCSJMHOGI-KJXAQDMKSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474058628 858741449 /nfs/dbraw/zinc/74/14/49/858741449.db2.gz YTBNLDCSJMHOGI-KJXAQDMKSA-N 2 1 398.595 3.870 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000474063601 858752009 /nfs/dbraw/zinc/75/20/09/858752009.db2.gz XSBGRVFRRODWQC-YCAMKHIRSA-N 2 1 385.596 3.550 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000474075728 858791752 /nfs/dbraw/zinc/79/17/52/858791752.db2.gz WGXJCXXSOAGLCW-FOVJLYNBSA-N 2 1 394.559 3.890 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000474075728 858791761 /nfs/dbraw/zinc/79/17/61/858791761.db2.gz WGXJCXXSOAGLCW-FOVJLYNBSA-N 2 1 394.559 3.890 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000116066956 858811917 /nfs/dbraw/zinc/81/19/17/858811917.db2.gz AMSGNYXMICUWMC-RDPSFJRHSA-N 2 1 391.559 3.993 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000183786098 858818965 /nfs/dbraw/zinc/81/89/65/858818965.db2.gz OJVLWKXQJKPENY-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000522230308 858857995 /nfs/dbraw/zinc/85/79/95/858857995.db2.gz FUPPGPFKMRQYFH-PMACEKPBSA-N 2 1 386.584 3.680 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC000625793049 858912822 /nfs/dbraw/zinc/91/28/22/858912822.db2.gz ATKGJFITGOZVMJ-DHIUTWEWSA-N 2 1 396.579 3.882 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC000625793049 858912828 /nfs/dbraw/zinc/91/28/28/858912828.db2.gz ATKGJFITGOZVMJ-DHIUTWEWSA-N 2 1 396.579 3.882 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)Nc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168022394 859001372 /nfs/dbraw/zinc/00/13/72/859001372.db2.gz RWEAZIDCNUYVSA-HATOLVCRSA-N 2 1 380.536 3.839 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]2c2ccccc2)CC1 ZINC000482956915 859007588 /nfs/dbraw/zinc/00/75/88/859007588.db2.gz WQQUACVGKFNIDY-QHCPKHFHSA-N 2 1 377.532 3.523 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC000482956915 859007597 /nfs/dbraw/zinc/00/75/97/859007597.db2.gz WQQUACVGKFNIDY-QHCPKHFHSA-N 2 1 377.532 3.523 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000625848070 859015808 /nfs/dbraw/zinc/01/58/08/859015808.db2.gz PLDUXYJUCVNZKH-SZPZYZBQSA-N 2 1 381.524 3.518 20 0 GHADMP C[NH+](C)CC1(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCC1 ZINC000185011969 859031400 /nfs/dbraw/zinc/03/14/00/859031400.db2.gz DVAKOMPPPAYWKZ-IEBWSBKVSA-N 2 1 392.613 3.552 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000532192862 881373979 /nfs/dbraw/zinc/37/39/79/881373979.db2.gz ZLAZNDNHWWTPPP-XHSDSOJGSA-N 2 1 381.948 3.918 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000532192862 881373999 /nfs/dbraw/zinc/37/39/99/881373999.db2.gz ZLAZNDNHWWTPPP-XHSDSOJGSA-N 2 1 381.948 3.918 20 0 GHADMP CCCN(C(=O)NCCCn1cc[nH+]c1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000522327579 859056642 /nfs/dbraw/zinc/05/66/42/859056642.db2.gz NAFXUIIZLHKECO-QFIPXVFZSA-N 2 1 397.567 3.668 20 0 GHADMP CCCN(C(=O)NCCCn1cc[nH+]c1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000522327579 859056646 /nfs/dbraw/zinc/05/66/46/859056646.db2.gz NAFXUIIZLHKECO-QFIPXVFZSA-N 2 1 397.567 3.668 20 0 GHADMP COc1ccc(C[C@H](C)C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1F ZINC000185242862 859062026 /nfs/dbraw/zinc/06/20/26/859062026.db2.gz JSYFCNUJBRPVHB-SLFFLAALSA-N 2 1 391.575 3.503 20 0 GHADMP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000185362588 859075247 /nfs/dbraw/zinc/07/52/47/859075247.db2.gz AESUSXNKVJFZKW-JOCHJYFZSA-N 2 1 380.536 3.877 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000191487008 859179982 /nfs/dbraw/zinc/17/99/82/859179982.db2.gz LKFTYXCTALGSCW-OAHLLOKOSA-N 2 1 385.537 3.794 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000191487008 859179986 /nfs/dbraw/zinc/17/99/86/859179986.db2.gz LKFTYXCTALGSCW-OAHLLOKOSA-N 2 1 385.537 3.794 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(F)cc3C)C2)[C@H](C)C1 ZINC000483164783 859198839 /nfs/dbraw/zinc/19/88/39/859198839.db2.gz AXGDJYODYOKEHC-FCEUIQTBSA-N 2 1 391.575 3.830 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)c2)C[C@H](C)O1 ZINC000483168792 859202099 /nfs/dbraw/zinc/20/20/99/859202099.db2.gz OEUDGNAJKVXEBW-ZVDOUQERSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)c2)C[C@H](C)O1 ZINC000483168792 859202112 /nfs/dbraw/zinc/20/21/12/859202112.db2.gz OEUDGNAJKVXEBW-ZVDOUQERSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c2)C[C@H](C)O1 ZINC000483168792 859202126 /nfs/dbraw/zinc/20/21/26/859202126.db2.gz OEUDGNAJKVXEBW-ZVDOUQERSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c2)C[C@H](C)O1 ZINC000483168792 859202137 /nfs/dbraw/zinc/20/21/37/859202137.db2.gz OEUDGNAJKVXEBW-ZVDOUQERSA-N 2 1 399.579 3.889 20 0 GHADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1ccccc1C(F)(F)F ZINC000923296811 859212317 /nfs/dbraw/zinc/21/23/17/859212317.db2.gz CWDIAVHXCSPFPW-MQVJKMGUSA-N 2 1 383.458 3.887 20 0 GHADMP c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479952488 859322485 /nfs/dbraw/zinc/32/24/85/859322485.db2.gz FPHGUBYWCDXTAZ-OYRHEFFESA-N 2 1 398.510 3.996 20 0 GHADMP c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479952488 859322493 /nfs/dbraw/zinc/32/24/93/859322493.db2.gz FPHGUBYWCDXTAZ-OYRHEFFESA-N 2 1 398.510 3.996 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(C)o1 ZINC000597232203 859366876 /nfs/dbraw/zinc/36/68/76/859366876.db2.gz SVOHGUYZLSWSPS-HXUWFJFHSA-N 2 1 382.504 3.767 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(C)o1 ZINC000597232203 859366882 /nfs/dbraw/zinc/36/68/82/859366882.db2.gz SVOHGUYZLSWSPS-HXUWFJFHSA-N 2 1 382.504 3.767 20 0 GHADMP CC[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063159 859437589 /nfs/dbraw/zinc/43/75/89/859437589.db2.gz TZEWGOFKLJGSAH-UHFFFAOYSA-N 2 1 379.548 3.545 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc2c1OCO2 ZINC000509444044 859458067 /nfs/dbraw/zinc/45/80/67/859458067.db2.gz KRDXJWMMJNJFMA-NRFANRHFSA-N 2 1 382.504 3.814 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc2c1OCO2 ZINC000509444044 859458071 /nfs/dbraw/zinc/45/80/71/859458071.db2.gz KRDXJWMMJNJFMA-NRFANRHFSA-N 2 1 382.504 3.814 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000483627768 859499381 /nfs/dbraw/zinc/49/93/81/859499381.db2.gz WVDLNISJOGPGNN-NJDAHSKKSA-N 2 1 378.605 3.547 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000483720683 859559340 /nfs/dbraw/zinc/55/93/40/859559340.db2.gz GLVWEFSYGKFXHH-XWUOBKMESA-N 2 1 393.641 3.858 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000483720683 859559344 /nfs/dbraw/zinc/55/93/44/859559344.db2.gz GLVWEFSYGKFXHH-XWUOBKMESA-N 2 1 393.641 3.858 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000483720683 859559350 /nfs/dbraw/zinc/55/93/50/859559350.db2.gz GLVWEFSYGKFXHH-XWUOBKMESA-N 2 1 393.641 3.858 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764677370 859564598 /nfs/dbraw/zinc/56/45/98/859564598.db2.gz YCQCLUHEFZHMMU-INIZCTEOSA-N 2 1 396.503 3.856 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764677370 859564602 /nfs/dbraw/zinc/56/46/02/859564602.db2.gz YCQCLUHEFZHMMU-INIZCTEOSA-N 2 1 396.503 3.856 20 0 GHADMP CC[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000483712134 859568234 /nfs/dbraw/zinc/56/82/34/859568234.db2.gz LYWGLDQBQMIVCI-JOCHJYFZSA-N 2 1 398.595 3.530 20 0 GHADMP COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000114454068 859612826 /nfs/dbraw/zinc/61/28/26/859612826.db2.gz UFPJIFWKEGXLHV-QFIPXVFZSA-N 2 1 387.568 3.601 20 0 GHADMP COc1cc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC001168030721 859639198 /nfs/dbraw/zinc/63/91/98/859639198.db2.gz WZOPIBXEDWXMNA-IAGOWNOFSA-N 2 1 384.520 3.941 20 0 GHADMP COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1F ZINC000856560677 881452728 /nfs/dbraw/zinc/45/27/28/881452728.db2.gz YTKRYHOTWYXENH-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1F ZINC000856560677 881452858 /nfs/dbraw/zinc/45/28/58/881452858.db2.gz YTKRYHOTWYXENH-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1F ZINC000856560677 881453068 /nfs/dbraw/zinc/45/30/68/881453068.db2.gz YTKRYHOTWYXENH-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1F ZINC000856560677 881453465 /nfs/dbraw/zinc/45/34/65/881453465.db2.gz YTKRYHOTWYXENH-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000543446930 859733923 /nfs/dbraw/zinc/73/39/23/859733923.db2.gz OWSZKQUPNQKAKD-JXALWOEJSA-N 2 1 382.548 3.643 20 0 GHADMP COCc1csc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856560670 881456510 /nfs/dbraw/zinc/45/65/10/881456510.db2.gz YSSGDSBHQRIROD-FQEVSTJZSA-N 2 1 389.565 3.783 20 0 GHADMP COCc1csc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856560670 881456783 /nfs/dbraw/zinc/45/67/83/881456783.db2.gz YSSGDSBHQRIROD-FQEVSTJZSA-N 2 1 389.565 3.783 20 0 GHADMP COCc1csc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856560670 881457139 /nfs/dbraw/zinc/45/71/39/881457139.db2.gz YSSGDSBHQRIROD-FQEVSTJZSA-N 2 1 389.565 3.783 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C ZINC000856561347 881459320 /nfs/dbraw/zinc/45/93/20/881459320.db2.gz NSTHXZBNPRLMRN-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1C ZINC000856561347 881459532 /nfs/dbraw/zinc/45/95/32/881459532.db2.gz NSTHXZBNPRLMRN-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1C ZINC000856561347 881459742 /nfs/dbraw/zinc/45/97/42/881459742.db2.gz NSTHXZBNPRLMRN-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1F ZINC000856561554 881468180 /nfs/dbraw/zinc/46/81/80/881468180.db2.gz PGGPXRQUQJJKTB-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1F ZINC000856561554 881468193 /nfs/dbraw/zinc/46/81/93/881468193.db2.gz PGGPXRQUQJJKTB-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1F ZINC000856561554 881468205 /nfs/dbraw/zinc/46/82/05/881468205.db2.gz PGGPXRQUQJJKTB-HXUWFJFHSA-N 2 1 387.499 3.723 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000499801872 859837579 /nfs/dbraw/zinc/83/75/79/859837579.db2.gz VZWNIJMBQHKGLS-RTBURBONSA-N 2 1 386.584 3.554 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856562107 881471434 /nfs/dbraw/zinc/47/14/34/881471434.db2.gz VSJOMVVELZXNGZ-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856562107 881471439 /nfs/dbraw/zinc/47/14/39/881471439.db2.gz VSJOMVVELZXNGZ-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856562107 881471444 /nfs/dbraw/zinc/47/14/44/881471444.db2.gz VSJOMVVELZXNGZ-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3scnc3C3CC3)CC2)CC1 ZINC000494981594 859871709 /nfs/dbraw/zinc/87/17/09/859871709.db2.gz UDEGQKRIXOPRKC-UHFFFAOYSA-N 2 1 376.614 3.649 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000765266877 859883821 /nfs/dbraw/zinc/88/38/21/859883821.db2.gz JKRWIURBBQFFKF-AVRDEDQJSA-N 2 1 379.504 3.643 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)C2)[C@@H]1C(C)C ZINC000922391526 859890590 /nfs/dbraw/zinc/89/05/90/859890590.db2.gz FFMXSFXLODOYRB-XSYGEPLQSA-N 2 1 391.606 3.831 20 0 GHADMP CCc1cccc(Cl)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000474347656 859893278 /nfs/dbraw/zinc/89/32/78/859893278.db2.gz HCIPJNAPLGIAEV-HXUWFJFHSA-N 2 1 399.966 3.890 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000765366978 859929563 /nfs/dbraw/zinc/92/95/63/859929563.db2.gz ISWUODZASVLKTI-KRWDZBQOSA-N 2 1 390.572 3.941 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001127859560 859961308 /nfs/dbraw/zinc/96/13/08/859961308.db2.gz KDWSTKPICDAVPX-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000602397876 859995237 /nfs/dbraw/zinc/99/52/37/859995237.db2.gz IVWSYLLLGYKKRH-IBGZPJMESA-N 2 1 380.964 3.508 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428865744 860065917 /nfs/dbraw/zinc/06/59/17/860065917.db2.gz WTCPUHIQXXRUOS-KSEOMHKRSA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428865744 860065930 /nfs/dbraw/zinc/06/59/30/860065930.db2.gz WTCPUHIQXXRUOS-KSEOMHKRSA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428865744 860065942 /nfs/dbraw/zinc/06/59/42/860065942.db2.gz WTCPUHIQXXRUOS-KSEOMHKRSA-N 2 1 386.584 3.603 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000727467165 860105409 /nfs/dbraw/zinc/10/54/09/860105409.db2.gz ORPYZKBKRSTMGO-NRFANRHFSA-N 2 1 387.568 3.949 20 0 GHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000474479486 860168972 /nfs/dbraw/zinc/16/89/72/860168972.db2.gz RETXCQZPQBMNPI-OALUTQOASA-N 2 1 398.547 3.818 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000428884298 860193869 /nfs/dbraw/zinc/19/38/69/860193869.db2.gz FDRXFMRNNAZFBP-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000428884298 860193875 /nfs/dbraw/zinc/19/38/75/860193875.db2.gz FDRXFMRNNAZFBP-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000428884298 860193879 /nfs/dbraw/zinc/19/38/79/860193879.db2.gz FDRXFMRNNAZFBP-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccnn3-c3ccccc3)CC2)nc(C)[nH+]1 ZINC000281466125 860213055 /nfs/dbraw/zinc/21/30/55/860213055.db2.gz FBQHLAHCVBDMFJ-QGZVFWFLSA-N 2 1 376.508 3.599 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000282364113 860274743 /nfs/dbraw/zinc/27/47/43/860274743.db2.gz HWJULSNBSCQMDA-XMMPIXPASA-N 2 1 392.591 3.936 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000282364113 860274757 /nfs/dbraw/zinc/27/47/57/860274757.db2.gz HWJULSNBSCQMDA-XMMPIXPASA-N 2 1 392.591 3.936 20 0 GHADMP CCCN(C(=O)NCC[NH+](CC)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000522446139 860278538 /nfs/dbraw/zinc/27/85/38/860278538.db2.gz KAIBLKUFXBPCAN-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522446139 860278554 /nfs/dbraw/zinc/27/85/54/860278554.db2.gz KAIBLKUFXBPCAN-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000522446139 860278564 /nfs/dbraw/zinc/27/85/64/860278564.db2.gz KAIBLKUFXBPCAN-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000474546582 860332570 /nfs/dbraw/zinc/33/25/70/860332570.db2.gz HZKHXWORHLTIBP-QBHIOLROSA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc2nc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)sc2c1 ZINC000904473413 860465426 /nfs/dbraw/zinc/46/54/26/860465426.db2.gz QVNMTFRYCNEDGI-UTKZUKDTSA-N 2 1 381.501 3.650 20 0 GHADMP COc1ccc2nc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)sc2c1 ZINC000904473407 860465493 /nfs/dbraw/zinc/46/54/93/860465493.db2.gz QVNMTFRYCNEDGI-DYESRHJHSA-N 2 1 381.501 3.650 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nsc4ccccc34)C2)ccn1 ZINC000856583824 881545827 /nfs/dbraw/zinc/54/58/27/881545827.db2.gz AOGNABCIQIHVDD-GOSISDBHSA-N 2 1 382.533 3.796 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nsc4ccccc34)C2)ccn1 ZINC000856583824 881546051 /nfs/dbraw/zinc/54/60/51/881546051.db2.gz AOGNABCIQIHVDD-GOSISDBHSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nsc4ccccc34)C2)ccn1 ZINC000856583824 881546279 /nfs/dbraw/zinc/54/62/79/881546279.db2.gz AOGNABCIQIHVDD-GOSISDBHSA-N 2 1 382.533 3.796 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2csc(COc3ccccc3)n2)C[C@H](C)O1 ZINC000172116494 860504129 /nfs/dbraw/zinc/50/41/29/860504129.db2.gz QDDLQUUXUYANPS-HDICACEKSA-N 2 1 389.565 3.701 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nsc4ccccc34)C2)ccn1 ZINC000856583824 881546405 /nfs/dbraw/zinc/54/64/05/881546405.db2.gz AOGNABCIQIHVDD-GOSISDBHSA-N 2 1 382.533 3.796 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CCCC3)c2)CCO1 ZINC000921589626 860538099 /nfs/dbraw/zinc/53/80/99/860538099.db2.gz GHYRHPZLOJDKRZ-GOSISDBHSA-N 2 1 382.552 3.588 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CCCC3)c2)CCO1 ZINC000921589626 860538105 /nfs/dbraw/zinc/53/81/05/860538105.db2.gz GHYRHPZLOJDKRZ-GOSISDBHSA-N 2 1 382.552 3.588 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000904647157 860543059 /nfs/dbraw/zinc/54/30/59/860543059.db2.gz BHNNOVICYJYJPS-IRLDBZIGSA-N 2 1 378.520 3.664 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000155586315 860549443 /nfs/dbraw/zinc/54/94/43/860549443.db2.gz HRXYJRDUNZQMDB-UHFFFAOYSA-N 2 1 385.939 3.750 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000155586315 860549459 /nfs/dbraw/zinc/54/94/59/860549459.db2.gz HRXYJRDUNZQMDB-UHFFFAOYSA-N 2 1 385.939 3.750 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583698 881552224 /nfs/dbraw/zinc/55/22/24/881552224.db2.gz PHQKCRNNOGEBQU-VXKWHMMOSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583698 881552237 /nfs/dbraw/zinc/55/22/37/881552237.db2.gz PHQKCRNNOGEBQU-VXKWHMMOSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583698 881552254 /nfs/dbraw/zinc/55/22/54/881552254.db2.gz PHQKCRNNOGEBQU-VXKWHMMOSA-N 2 1 375.557 3.582 20 0 GHADMP COC(=O)c1cccc(Cl)c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000509023946 860581376 /nfs/dbraw/zinc/58/13/76/860581376.db2.gz SUZURDRGTTZJSF-UHFFFAOYSA-N 2 1 387.911 3.870 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856593309 881565803 /nfs/dbraw/zinc/56/58/03/881565803.db2.gz NYWVVOWGTBKLNA-QIJUGHKUSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856593309 881565824 /nfs/dbraw/zinc/56/58/24/881565824.db2.gz NYWVVOWGTBKLNA-QIJUGHKUSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856593309 881565833 /nfs/dbraw/zinc/56/58/33/881565833.db2.gz NYWVVOWGTBKLNA-QIJUGHKUSA-N 2 1 375.557 3.582 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000429020576 860726491 /nfs/dbraw/zinc/72/64/91/860726491.db2.gz MJHMRDLCSPVLOY-HSZRJFAPSA-N 2 1 379.504 3.835 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000429020576 860726494 /nfs/dbraw/zinc/72/64/94/860726494.db2.gz MJHMRDLCSPVLOY-HSZRJFAPSA-N 2 1 379.504 3.835 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000429020576 860726497 /nfs/dbraw/zinc/72/64/97/860726497.db2.gz MJHMRDLCSPVLOY-HSZRJFAPSA-N 2 1 379.504 3.835 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199460 881591977 /nfs/dbraw/zinc/59/19/77/881591977.db2.gz ZJOXSHWTRVGSKM-FMWKFLBASA-N 2 1 398.551 3.671 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)c2)cc1 ZINC000623358937 860918584 /nfs/dbraw/zinc/91/85/84/860918584.db2.gz ZVLCEWOKWUWPHU-QFIPXVFZSA-N 2 1 379.548 3.887 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)c2)cc1 ZINC000623358937 860918602 /nfs/dbraw/zinc/91/86/02/860918602.db2.gz ZVLCEWOKWUWPHU-QFIPXVFZSA-N 2 1 379.548 3.887 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000600146770 861125406 /nfs/dbraw/zinc/12/54/06/861125406.db2.gz YUTZAJFUMZOLQF-CEMLEFRQSA-N 2 1 393.531 3.649 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000600146770 861125409 /nfs/dbraw/zinc/12/54/09/861125409.db2.gz YUTZAJFUMZOLQF-CEMLEFRQSA-N 2 1 393.531 3.649 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[N@H+]1C1CC1 ZINC000177120983 861160693 /nfs/dbraw/zinc/16/06/93/861160693.db2.gz DVHZIGXEOOOKMM-PGRDOPGGSA-N 2 1 377.532 3.674 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182230913 863157678 /nfs/dbraw/zinc/15/76/78/863157678.db2.gz WGIVVRWNPRHXOR-FYYLOGMGSA-N 2 1 380.532 3.955 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282562281 863232171 /nfs/dbraw/zinc/23/21/71/863232171.db2.gz UJTJHWGBLLUHPR-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282562281 863232178 /nfs/dbraw/zinc/23/21/78/863232178.db2.gz UJTJHWGBLLUHPR-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000624255027 863325656 /nfs/dbraw/zinc/32/56/56/863325656.db2.gz CFKOWGVSXDGAQR-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624255027 863325666 /nfs/dbraw/zinc/32/56/66/863325666.db2.gz CFKOWGVSXDGAQR-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000624255027 863325677 /nfs/dbraw/zinc/32/56/77/863325677.db2.gz CFKOWGVSXDGAQR-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000605988059 863328399 /nfs/dbraw/zinc/32/83/99/863328399.db2.gz KYJCJLDTGIIIGR-RTWAWAEBSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000482595465 863366112 /nfs/dbraw/zinc/36/61/12/863366112.db2.gz GRLDTGSJRILBBH-RTBURBONSA-N 2 1 395.547 3.918 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000428325841 863408867 /nfs/dbraw/zinc/40/88/67/863408867.db2.gz OCKGSPXEJMYMST-GPQLQYNLSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000428325841 863408873 /nfs/dbraw/zinc/40/88/73/863408873.db2.gz OCKGSPXEJMYMST-GPQLQYNLSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000428325841 863408876 /nfs/dbraw/zinc/40/88/76/863408876.db2.gz OCKGSPXEJMYMST-GPQLQYNLSA-N 2 1 386.584 3.602 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000183138116 863483557 /nfs/dbraw/zinc/48/35/57/863483557.db2.gz QNLLJQMIKKVHOH-QZTJIDSGSA-N 2 1 376.504 3.878 20 0 GHADMP CCCCc1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000183155961 863490127 /nfs/dbraw/zinc/49/01/27/863490127.db2.gz BFXLHCDZJPKJGK-CQSZACIVSA-N 2 1 398.536 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000062528545 863537215 /nfs/dbraw/zinc/53/72/15/863537215.db2.gz HBWSWPNDTBFDKL-BGYRXZFFSA-N 2 1 392.632 3.698 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCN([C@@H](C)c4ccccc4)C3)CCCC2)CC1 ZINC000532295512 881707099 /nfs/dbraw/zinc/70/70/99/881707099.db2.gz IITQEEIUDHALNE-RBBKRZOGSA-N 2 1 385.596 3.835 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000159055220 864020743 /nfs/dbraw/zinc/02/07/43/864020743.db2.gz WEPSJKQPEXBXIH-IBGZPJMESA-N 2 1 384.568 3.949 20 0 GHADMP CC(=O)NCC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000898517362 864074457 /nfs/dbraw/zinc/07/44/57/864074457.db2.gz NGXJBXRKUGFXFN-HSQINTTRSA-N 2 1 383.580 3.572 20 0 GHADMP c1nc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sc1C1OCCO1 ZINC000898519265 864079730 /nfs/dbraw/zinc/07/97/30/864079730.db2.gz OERLOXQQDPUQRO-QYZOEREBSA-N 2 1 399.560 3.579 20 0 GHADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000475146445 864296916 /nfs/dbraw/zinc/29/69/16/864296916.db2.gz WDAYJGUMLMDNJL-UHFFFAOYSA-N 2 1 378.605 3.737 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000621647541 864348695 /nfs/dbraw/zinc/34/86/95/864348695.db2.gz KCRURWXVXXCPJT-OAHLLOKOSA-N 2 1 398.378 3.854 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cncn4)cc3Cl)CC2)[nH+]c1 ZINC000163508530 864526553 /nfs/dbraw/zinc/52/65/53/864526553.db2.gz WQWYCCBWKVSWJL-INIZCTEOSA-N 2 1 396.926 3.944 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000444334819 864657680 /nfs/dbraw/zinc/65/76/80/864657680.db2.gz DALMMXIVVXZCAI-KURKYZTESA-N 2 1 383.540 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000444334819 864657688 /nfs/dbraw/zinc/65/76/88/864657688.db2.gz DALMMXIVVXZCAI-KURKYZTESA-N 2 1 383.540 3.804 20 0 GHADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165664384 864690263 /nfs/dbraw/zinc/69/02/63/864690263.db2.gz KGJQRVDWVFVNPH-OAQYLSRUSA-N 2 1 387.568 3.601 20 0 GHADMP C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182567849 864692463 /nfs/dbraw/zinc/69/24/63/864692463.db2.gz XXUZZBJAQILMKX-UYAOXDASSA-N 2 1 390.616 3.593 20 0 GHADMP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000166015046 864708098 /nfs/dbraw/zinc/70/80/98/864708098.db2.gz AGBYYFXXTPPPDT-ISKFKSNPSA-N 2 1 380.532 3.776 20 0 GHADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475330136 864793839 /nfs/dbraw/zinc/79/38/39/864793839.db2.gz JJOQWAKZSRGJIZ-SZPZYZBQSA-N 2 1 388.515 3.649 20 0 GHADMP COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475330136 864793846 /nfs/dbraw/zinc/79/38/46/864793846.db2.gz JJOQWAKZSRGJIZ-SZPZYZBQSA-N 2 1 388.515 3.649 20 0 GHADMP COc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475330136 864793851 /nfs/dbraw/zinc/79/38/51/864793851.db2.gz JJOQWAKZSRGJIZ-SZPZYZBQSA-N 2 1 388.515 3.649 20 0 GHADMP COc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475330136 864793858 /nfs/dbraw/zinc/79/38/58/864793858.db2.gz JJOQWAKZSRGJIZ-SZPZYZBQSA-N 2 1 388.515 3.649 20 0 GHADMP CN(C(=O)CC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000480582986 864908929 /nfs/dbraw/zinc/90/89/29/864908929.db2.gz QAEQCWQZDSLZCU-DLBZAZTESA-N 2 1 391.522 3.761 20 0 GHADMP CC[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000480614165 864951673 /nfs/dbraw/zinc/95/16/73/864951673.db2.gz SNDYOEFINUDHQJ-SVFBPWRDSA-N 2 1 389.584 3.562 20 0 GHADMP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000480614165 864951685 /nfs/dbraw/zinc/95/16/85/864951685.db2.gz SNDYOEFINUDHQJ-SVFBPWRDSA-N 2 1 389.584 3.562 20 0 GHADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1c(F)cccc1Cl ZINC000608068106 864959654 /nfs/dbraw/zinc/95/96/54/864959654.db2.gz FBCICVHGSBSXCN-SFHVURJKSA-N 2 1 390.930 3.884 20 0 GHADMP CCOC(=O)N1CCC([N@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168063952 864979678 /nfs/dbraw/zinc/97/96/78/864979678.db2.gz OQGHNXJNFTXJMP-HATOLVCRSA-N 2 1 387.568 3.981 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](C)[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168063952 864979688 /nfs/dbraw/zinc/97/96/88/864979688.db2.gz OQGHNXJNFTXJMP-HATOLVCRSA-N 2 1 387.568 3.981 20 0 GHADMP CCOC(=O)N1CCC([NH+](C)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168063952 864979694 /nfs/dbraw/zinc/97/96/94/864979694.db2.gz OQGHNXJNFTXJMP-HATOLVCRSA-N 2 1 387.568 3.981 20 0 GHADMP CCOC(=O)N1CCC([NH+](C)[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168063952 864979698 /nfs/dbraw/zinc/97/96/98/864979698.db2.gz OQGHNXJNFTXJMP-HATOLVCRSA-N 2 1 387.568 3.981 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000608248948 865151961 /nfs/dbraw/zinc/15/19/61/865151961.db2.gz SSHMLUHFHGZGDD-HXUWFJFHSA-N 2 1 383.536 3.716 20 0 GHADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000480781483 865258849 /nfs/dbraw/zinc/25/88/49/865258849.db2.gz SFYORTLXPAVNRJ-AUSIDOKSSA-N 2 1 397.563 3.733 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[NH+]1CCc2sccc2C1 ZINC000856925702 881860046 /nfs/dbraw/zinc/86/00/46/881860046.db2.gz ZSGFZHIOTLFBDR-XLIONFOSSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCc2sccc2C1 ZINC000856925702 881860064 /nfs/dbraw/zinc/86/00/64/881860064.db2.gz ZSGFZHIOTLFBDR-XLIONFOSSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@@H+]1CCc2sccc2C1 ZINC000856925702 881860083 /nfs/dbraw/zinc/86/00/83/881860083.db2.gz ZSGFZHIOTLFBDR-XLIONFOSSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@H+]1CCc2sccc2C1 ZINC000856925702 881860101 /nfs/dbraw/zinc/86/01/01/881860101.db2.gz ZSGFZHIOTLFBDR-XLIONFOSSA-N 2 1 397.588 3.734 20 0 GHADMP Cc1nc(-c2cccnc2)nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000301570694 865430811 /nfs/dbraw/zinc/43/08/11/865430811.db2.gz KWARKCWJTIFURX-UHFFFAOYSA-N 2 1 394.567 3.518 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000172218170 865526243 /nfs/dbraw/zinc/52/62/43/865526243.db2.gz QSZFWGWZCOWXCE-QYZOEREBSA-N 2 1 392.613 3.647 20 0 GHADMP Brc1ccc2[nH+]ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000301890156 865588975 /nfs/dbraw/zinc/58/89/75/865588975.db2.gz TTZFNWNPCBRTTH-HNNXBMFYSA-N 2 1 376.298 3.663 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000608716547 865622674 /nfs/dbraw/zinc/62/26/74/865622674.db2.gz OCSHSKHLKSWJTI-FCHUYYIVSA-N 2 1 386.584 3.585 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494549875 881897785 /nfs/dbraw/zinc/89/77/85/881897785.db2.gz SQKLYNIGWYHWGX-HNNXBMFYSA-N 2 1 391.441 3.881 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000481163151 865899678 /nfs/dbraw/zinc/89/96/78/865899678.db2.gz DTDUIIBLFNYRLH-WWNPGLIZSA-N 2 1 382.548 3.543 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000481175085 865924793 /nfs/dbraw/zinc/92/47/93/865924793.db2.gz LRPMWEYQSRHXHM-YKSBVNFPSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000481175085 865924803 /nfs/dbraw/zinc/92/48/03/865924803.db2.gz LRPMWEYQSRHXHM-YKSBVNFPSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184540 865947576 /nfs/dbraw/zinc/94/75/76/865947576.db2.gz CWWKMAIUPIRJEA-YDHSSHFGSA-N 2 1 397.538 3.673 20 0 GHADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184540 865947584 /nfs/dbraw/zinc/94/75/84/865947584.db2.gz CWWKMAIUPIRJEA-YDHSSHFGSA-N 2 1 397.538 3.673 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481174462 865961743 /nfs/dbraw/zinc/96/17/43/865961743.db2.gz KYEGWIBPWMZLSB-BKULYWANSA-N 2 1 382.548 3.543 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000175838530 866041448 /nfs/dbraw/zinc/04/14/48/866041448.db2.gz DMFHCSDZUOYFQL-LAUBAEHRSA-N 2 1 381.524 3.512 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(Br)c1OC ZINC000193929279 881950405 /nfs/dbraw/zinc/95/04/05/881950405.db2.gz WHSKMTYHCHQITO-UHFFFAOYSA-N 2 1 385.346 3.819 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620194204 866534792 /nfs/dbraw/zinc/53/47/92/866534792.db2.gz SBGKLNKMBHJRAS-HXUWFJFHSA-N 2 1 397.588 3.842 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(Cl)cc1 ZINC000553029223 866652355 /nfs/dbraw/zinc/65/23/55/866652355.db2.gz ZASPSZBSOCXMHO-HXUWFJFHSA-N 2 1 388.943 3.615 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(Cl)cc1 ZINC000553029223 866652364 /nfs/dbraw/zinc/65/23/64/866652364.db2.gz ZASPSZBSOCXMHO-HXUWFJFHSA-N 2 1 388.943 3.615 20 0 GHADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000478834590 866728914 /nfs/dbraw/zinc/72/89/14/866728914.db2.gz ONVCXXYOBZBPDN-QTEQDKRBSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H](c1nnnn1C1CCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807371 882009547 /nfs/dbraw/zinc/00/95/47/882009547.db2.gz MCQVREPJVMVKMN-GOSISDBHSA-N 2 1 397.571 3.873 20 0 GHADMP C[C@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807371 882009566 /nfs/dbraw/zinc/00/95/66/882009566.db2.gz MCQVREPJVMVKMN-GOSISDBHSA-N 2 1 397.571 3.873 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)C1CCCCC1 ZINC000523192622 866840839 /nfs/dbraw/zinc/84/08/39/866840839.db2.gz BYLRDXOVNQZZSB-GOSISDBHSA-N 2 1 392.613 3.524 20 0 GHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000523192622 866840855 /nfs/dbraw/zinc/84/08/55/866840855.db2.gz BYLRDXOVNQZZSB-GOSISDBHSA-N 2 1 392.613 3.524 20 0 GHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000523192622 866840872 /nfs/dbraw/zinc/84/08/72/866840872.db2.gz BYLRDXOVNQZZSB-GOSISDBHSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153545987 866938953 /nfs/dbraw/zinc/93/89/53/866938953.db2.gz VSHWDFQMKOMHOM-NRFANRHFSA-N 2 1 392.632 3.939 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1)CC1CC1 ZINC000444605810 866939163 /nfs/dbraw/zinc/93/91/63/866939163.db2.gz BMALDZCUMPAGFC-UHFFFAOYSA-N 2 1 397.607 3.795 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000153906646 867148009 /nfs/dbraw/zinc/14/80/09/867148009.db2.gz IGUSOKJTSVRFLN-NHCUHLMSSA-N 2 1 381.564 3.709 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000523525535 867494474 /nfs/dbraw/zinc/49/44/74/867494474.db2.gz QSQPZBQOFBPNGM-UHFFFAOYSA-N 2 1 386.584 3.523 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000131030716 867513278 /nfs/dbraw/zinc/51/32/78/867513278.db2.gz WGVVJBAXQKXSGY-UHFFFAOYSA-N 2 1 393.491 3.549 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523645305 867682075 /nfs/dbraw/zinc/68/20/75/867682075.db2.gz ONAPYBOEZZFPQZ-AZUAARDMSA-N 2 1 390.572 3.536 20 0 GHADMP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000155108718 867754710 /nfs/dbraw/zinc/75/47/10/867754710.db2.gz ZPGYSTCUOHQORN-IFMALSPDSA-N 2 1 388.600 3.800 20 0 GHADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479454825 867787982 /nfs/dbraw/zinc/78/79/82/867787982.db2.gz MKTVULCYOGYJNY-HUUCEWRRSA-N 2 1 395.263 3.575 20 0 GHADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479454825 867787995 /nfs/dbraw/zinc/78/79/95/867787995.db2.gz MKTVULCYOGYJNY-HUUCEWRRSA-N 2 1 395.263 3.575 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461369 867802584 /nfs/dbraw/zinc/80/25/84/867802584.db2.gz BTPGTLIYLNYKDV-RBBKRZOGSA-N 2 1 379.548 3.696 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463079 867807255 /nfs/dbraw/zinc/80/72/55/867807255.db2.gz IAZFYBIORHYGEV-URXFXBBRSA-N 2 1 377.532 3.592 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000523764280 867913631 /nfs/dbraw/zinc/91/36/31/867913631.db2.gz PUMKPVJZTLQKPZ-KBWCOIMZSA-N 2 1 378.605 3.547 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534991214 867914537 /nfs/dbraw/zinc/91/45/37/867914537.db2.gz DDFYIDHXNOEABU-UHFFFAOYSA-N 2 1 398.595 3.560 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000445268153 868089167 /nfs/dbraw/zinc/08/91/67/868089167.db2.gz YWWGAWASWQVIAK-IBGZPJMESA-N 2 1 383.580 3.503 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000156120744 868259397 /nfs/dbraw/zinc/25/93/97/868259397.db2.gz ITIMBVYTKHVOMN-UHFFFAOYSA-N 2 1 379.548 3.529 20 0 GHADMP Cc1cc(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)ccc1OCC[NH+](C)C ZINC000857288893 882174415 /nfs/dbraw/zinc/17/44/15/882174415.db2.gz UOZAWRJMIQJVSZ-NRFANRHFSA-N 2 1 395.547 3.997 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000272271680 868476470 /nfs/dbraw/zinc/47/64/70/868476470.db2.gz BMRMYXVNRGIUDF-WFXMLNOXSA-N 2 1 386.561 3.651 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000156924174 868503607 /nfs/dbraw/zinc/50/36/07/868503607.db2.gz URNFEPTXWPDZMO-UZLBHIALSA-N 2 1 397.588 3.785 20 0 GHADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000553952815 868523536 /nfs/dbraw/zinc/52/35/36/868523536.db2.gz OUWNUPFNWLLERP-XFWGSAIBSA-N 2 1 375.944 3.514 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000524447490 869096552 /nfs/dbraw/zinc/09/65/52/869096552.db2.gz RFTLNNRDYCZBGT-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000524447490 869096558 /nfs/dbraw/zinc/09/65/58/869096558.db2.gz RFTLNNRDYCZBGT-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000524447490 869096565 /nfs/dbraw/zinc/09/65/65/869096565.db2.gz RFTLNNRDYCZBGT-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP Brc1cc(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000394586928 882263941 /nfs/dbraw/zinc/26/39/41/882263941.db2.gz WRCDWOMNIOILPI-LLVKDONJSA-N 2 1 388.147 3.786 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000133545201 882270292 /nfs/dbraw/zinc/27/02/92/882270292.db2.gz FPUFQCLGNOFCCL-RTBURBONSA-N 2 1 392.975 3.647 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000133545201 882270304 /nfs/dbraw/zinc/27/03/04/882270304.db2.gz FPUFQCLGNOFCCL-RTBURBONSA-N 2 1 392.975 3.647 20 0 GHADMP CN(CC1CC[NH+](C)CC1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000171561869 869270377 /nfs/dbraw/zinc/27/03/77/869270377.db2.gz JZALQUDLAFLEDR-UHFFFAOYSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)CC(C)C ZINC000446204927 869542362 /nfs/dbraw/zinc/54/23/62/869542362.db2.gz GVLZXHOTWLVXBU-IBGZPJMESA-N 2 1 390.572 3.699 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000446263169 869646971 /nfs/dbraw/zinc/64/69/71/869646971.db2.gz ULVHAYPYCXSDHV-DNVFCKCGSA-N 2 1 396.535 3.526 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC000524880083 869726117 /nfs/dbraw/zinc/72/61/17/869726117.db2.gz LDWOVKBDIWCIAQ-QTEQDKRBSA-N 2 1 385.596 3.661 20 0 GHADMP CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OCC(C)C ZINC000539898209 869987758 /nfs/dbraw/zinc/98/77/58/869987758.db2.gz NCUWRXUZHCNMMZ-RZUBCFFCSA-N 2 1 390.568 3.804 20 0 GHADMP CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OCC(C)C ZINC000539898209 869987768 /nfs/dbraw/zinc/98/77/68/869987768.db2.gz NCUWRXUZHCNMMZ-RZUBCFFCSA-N 2 1 390.568 3.804 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000446585374 870062107 /nfs/dbraw/zinc/06/21/07/870062107.db2.gz JAWZJJDBGJGTBF-HXUWFJFHSA-N 2 1 388.943 3.869 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000446590570 870069980 /nfs/dbraw/zinc/06/99/80/870069980.db2.gz PABWDOAFIAEZPA-HSZRJFAPSA-N 2 1 394.563 3.823 20 0 GHADMP C[C@H](CCc1ccsc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000462794537 870097046 /nfs/dbraw/zinc/09/70/46/870097046.db2.gz WJAURGCUJLKSKF-UTKZUKDTSA-N 2 1 385.577 3.556 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000462799811 870117562 /nfs/dbraw/zinc/11/75/62/870117562.db2.gz YCBRJLHCPBKTRG-AGILITTLSA-N 2 1 385.596 3.509 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc4cc(F)ccc4o3)c2)C1 ZINC000525182463 870123991 /nfs/dbraw/zinc/12/39/91/870123991.db2.gz AZQWFERGIYPYOQ-SFHVURJKSA-N 2 1 395.478 3.559 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1)CC1CC1 ZINC000540005892 870173016 /nfs/dbraw/zinc/17/30/16/870173016.db2.gz DPAIKTOKVBTMFQ-HXUWFJFHSA-N 2 1 392.632 3.652 20 0 GHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000446750271 870295980 /nfs/dbraw/zinc/29/59/80/870295980.db2.gz FSVJQFPZTCRQNV-XMMPIXPASA-N 2 1 389.547 3.756 20 0 GHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000446750271 870295999 /nfs/dbraw/zinc/29/59/99/870295999.db2.gz FSVJQFPZTCRQNV-XMMPIXPASA-N 2 1 389.547 3.756 20 0 GHADMP C/C=C1\[C@H]2C=C(C)C[C@]1([NH2+]C1CC[NH+](CC3CC3)CC1)c1ccc(=O)[nH]c1C2 ZINC001168359573 870310714 /nfs/dbraw/zinc/31/07/14/870310714.db2.gz BVLOYVSHEAKXJF-NKKDZRTASA-N 2 1 379.548 3.915 20 0 GHADMP C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248392818 870363495 /nfs/dbraw/zinc/36/34/95/870363495.db2.gz DHGWXPGXHZEOCN-PLACYPQZSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248392818 870363498 /nfs/dbraw/zinc/36/34/98/870363498.db2.gz DHGWXPGXHZEOCN-PLACYPQZSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248392818 870363506 /nfs/dbraw/zinc/36/35/06/870363506.db2.gz DHGWXPGXHZEOCN-PLACYPQZSA-N 2 1 392.632 3.697 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000248408682 870387639 /nfs/dbraw/zinc/38/76/39/870387639.db2.gz FGFHNCMOZTZKJU-AYVPJYCDSA-N 2 1 380.532 3.619 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462967719 870560598 /nfs/dbraw/zinc/56/05/98/870560598.db2.gz RHIOKYXMMZTCGQ-ZXFNITATSA-N 2 1 399.373 3.590 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462967719 870560605 /nfs/dbraw/zinc/56/06/05/870560605.db2.gz RHIOKYXMMZTCGQ-ZXFNITATSA-N 2 1 399.373 3.590 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540159233 870621047 /nfs/dbraw/zinc/62/10/47/870621047.db2.gz XDQNNYTVYQVRKW-MBSDFSHPSA-N 2 1 384.520 3.583 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540159233 870621058 /nfs/dbraw/zinc/62/10/58/870621058.db2.gz XDQNNYTVYQVRKW-MBSDFSHPSA-N 2 1 384.520 3.583 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCSc3ccc(OC)cc32)[C@@H](C)C1 ZINC000248819307 870649876 /nfs/dbraw/zinc/64/98/76/870649876.db2.gz IWWIBBVMHKGADR-FFZOFVMBSA-N 2 1 378.582 3.959 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(OC)cc32)[C@@H](C)C1 ZINC000248819307 870649885 /nfs/dbraw/zinc/64/98/85/870649885.db2.gz IWWIBBVMHKGADR-FFZOFVMBSA-N 2 1 378.582 3.959 20 0 GHADMP CCC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000766380492 870666448 /nfs/dbraw/zinc/66/64/48/870666448.db2.gz GTRIFJMHFBSFRD-GOSISDBHSA-N 2 1 379.614 3.826 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cn2cc(C(C)C)n(C)c2=S)CC1 ZINC000766372862 870678555 /nfs/dbraw/zinc/67/85/55/870678555.db2.gz DZJFQLXAZVUURX-UHFFFAOYSA-N 2 1 382.618 3.707 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cn2cc(C(C)C)n(C)c2=S)CC1 ZINC000766372862 870678566 /nfs/dbraw/zinc/67/85/66/870678566.db2.gz DZJFQLXAZVUURX-UHFFFAOYSA-N 2 1 382.618 3.707 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000248955555 870700747 /nfs/dbraw/zinc/70/07/47/870700747.db2.gz FTZJYTDHCPWKCQ-HOTGVXAUSA-N 2 1 380.483 3.658 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000249090651 870751584 /nfs/dbraw/zinc/75/15/84/870751584.db2.gz DBNLCGPPVOPOIC-QRVBRYPASA-N 2 1 397.485 3.595 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@@H](CNC3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000463116163 870952198 /nfs/dbraw/zinc/95/21/98/870952198.db2.gz OMVDHSVKADWAOG-VWLOTQADSA-N 2 1 391.603 3.848 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000461800021 870981654 /nfs/dbraw/zinc/98/16/54/870981654.db2.gz GSGCAIXCBBDAID-JAXLGGSGSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461800021 870981660 /nfs/dbraw/zinc/98/16/60/870981660.db2.gz GSGCAIXCBBDAID-JAXLGGSGSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000461800021 870981671 /nfs/dbraw/zinc/98/16/71/870981671.db2.gz GSGCAIXCBBDAID-JAXLGGSGSA-N 2 1 388.600 3.801 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000463149686 871021355 /nfs/dbraw/zinc/02/13/55/871021355.db2.gz UTBGSIMTAQWIDA-QUCCMNQESA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000463149686 871021375 /nfs/dbraw/zinc/02/13/75/871021375.db2.gz UTBGSIMTAQWIDA-QUCCMNQESA-N 2 1 398.547 3.898 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000463200594 871169898 /nfs/dbraw/zinc/16/98/98/871169898.db2.gz BZHPWZHVLDUNAS-JLLPCOHGSA-N 2 1 386.580 3.683 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CN(C(c3ccccc3)c3ccccc3)C1)C2 ZINC001169099937 871175200 /nfs/dbraw/zinc/17/52/00/871175200.db2.gz XAONZVPAIUQYOB-JOZNFPNDSA-N 2 1 375.560 3.923 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC1C[NH+](C(c3ccccc3)c3ccccc3)C1)C2 ZINC001169099937 871175203 /nfs/dbraw/zinc/17/52/03/871175203.db2.gz XAONZVPAIUQYOB-JOZNFPNDSA-N 2 1 375.560 3.923 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCC1C[NH+](C(c3ccccc3)c3ccccc3)C1)C2 ZINC001169099937 871175209 /nfs/dbraw/zinc/17/52/09/871175209.db2.gz XAONZVPAIUQYOB-JOZNFPNDSA-N 2 1 375.560 3.923 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3cccc(Cl)c3)CC1)C2 ZINC001169116934 871207069 /nfs/dbraw/zinc/20/70/69/871207069.db2.gz UDIGBZUGMBJNDG-DHUDUYKCSA-N 2 1 375.944 3.596 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128005 871217173 /nfs/dbraw/zinc/21/71/73/871217173.db2.gz BCZDVOMCIRZBCB-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128005 871217182 /nfs/dbraw/zinc/21/71/82/871217182.db2.gz BCZDVOMCIRZBCB-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128005 871217193 /nfs/dbraw/zinc/21/71/93/871217193.db2.gz BCZDVOMCIRZBCB-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128005 871217200 /nfs/dbraw/zinc/21/72/00/871217200.db2.gz BCZDVOMCIRZBCB-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN([C@H]2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001169138793 871228580 /nfs/dbraw/zinc/22/85/80/871228580.db2.gz JCYMVCYPOQTUGS-ZBYYUNFXSA-N 2 1 383.580 3.608 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN([C@H]2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001169138793 871228597 /nfs/dbraw/zinc/22/85/97/871228597.db2.gz JCYMVCYPOQTUGS-ZBYYUNFXSA-N 2 1 383.580 3.608 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN([C@H]2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001169138793 871228618 /nfs/dbraw/zinc/22/86/18/871228618.db2.gz JCYMVCYPOQTUGS-ZBYYUNFXSA-N 2 1 383.580 3.608 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463238574 871229080 /nfs/dbraw/zinc/22/90/80/871229080.db2.gz VZPQTRGKQKKXNW-LKDDOFHYSA-N 2 1 382.523 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463238574 871229095 /nfs/dbraw/zinc/22/90/95/871229095.db2.gz VZPQTRGKQKKXNW-LKDDOFHYSA-N 2 1 382.523 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539065894 871237570 /nfs/dbraw/zinc/23/75/70/871237570.db2.gz DWNCHEZGTNYSFA-DENIHFKCSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000539065894 871237588 /nfs/dbraw/zinc/23/75/88/871237588.db2.gz DWNCHEZGTNYSFA-DENIHFKCSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463240051 871238399 /nfs/dbraw/zinc/23/83/99/871238399.db2.gz HWSZWXOQVAJZSX-UIFIKXQLSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463240051 871238409 /nfs/dbraw/zinc/23/84/09/871238409.db2.gz HWSZWXOQVAJZSX-UIFIKXQLSA-N 2 1 388.502 3.759 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(NC(=O)c3ccccc3C(F)(F)F)CC1)C2 ZINC001169152343 871265176 /nfs/dbraw/zinc/26/51/76/871265176.db2.gz BCNCONLLHURSMG-BJWYYQGGSA-N 2 1 395.469 3.525 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000465561028 871308668 /nfs/dbraw/zinc/30/86/68/871308668.db2.gz DKRIERDPYVMHJM-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000447307848 871347641 /nfs/dbraw/zinc/34/76/41/871347641.db2.gz XWMIDUHQBCRZLF-CTNGQTDRSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000447307848 871347659 /nfs/dbraw/zinc/34/76/59/871347659.db2.gz XWMIDUHQBCRZLF-CTNGQTDRSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000447307848 871347678 /nfs/dbraw/zinc/34/76/78/871347678.db2.gz XWMIDUHQBCRZLF-CTNGQTDRSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000447307848 871347699 /nfs/dbraw/zinc/34/76/99/871347699.db2.gz XWMIDUHQBCRZLF-CTNGQTDRSA-N 2 1 380.536 3.704 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)CC1 ZINC001169258962 871354639 /nfs/dbraw/zinc/35/46/39/871354639.db2.gz WIRAFFVWHBWCLN-UHFFFAOYSA-N 2 1 383.580 3.735 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000618174387 871383567 /nfs/dbraw/zinc/38/35/67/871383567.db2.gz YSVZRUZHXYKCSA-HKUYNNGSSA-N 2 1 379.976 3.741 20 0 GHADMP CN1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)Cc2ccccc21 ZINC000463290345 871385985 /nfs/dbraw/zinc/38/59/85/871385985.db2.gz SELSEQPFVBFJDS-HXUWFJFHSA-N 2 1 381.539 3.731 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000122344619 882514791 /nfs/dbraw/zinc/51/47/91/882514791.db2.gz XHKQXTAQCSUSRM-GOSISDBHSA-N 3 1 378.520 3.972 20 0 GHADMP CCC(CC)(CNC(=O)c1cc(C[NH+]2CCCC2)on1)[NH2+][C@H](C)c1ccccc1 ZINC000462069434 871520174 /nfs/dbraw/zinc/52/01/74/871520174.db2.gz GXWYUOQVSCFSKA-GOSISDBHSA-N 2 1 398.551 3.910 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000525834523 871521040 /nfs/dbraw/zinc/52/10/40/871521040.db2.gz MDSOYRSYIYEMGH-HRCADAONSA-N 2 1 375.504 3.747 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001169467277 871543089 /nfs/dbraw/zinc/54/30/89/871543089.db2.gz MBPMQOXQRPHCTB-ICSRJNTNSA-N 2 1 375.557 3.603 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001194292744 871628697 /nfs/dbraw/zinc/62/86/97/871628697.db2.gz XEBQGDIMNNRPKS-WOJBJXKFSA-N 2 1 377.960 3.510 20 0 GHADMP O[C@@H]1c2ccccc2CC[C@@H]1Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001169617122 871708458 /nfs/dbraw/zinc/70/84/58/871708458.db2.gz ASSMIFBOHFBMAD-QMHWCDLVSA-N 2 1 376.504 3.811 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821002 871849238 /nfs/dbraw/zinc/84/92/38/871849238.db2.gz UNMCKHNUWHSKGK-UHFFFAOYSA-N 2 1 380.536 3.875 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H]2CCC[C@H]21 ZINC000552063989 871962531 /nfs/dbraw/zinc/96/25/31/871962531.db2.gz UKHAJLKSMUXMBC-GBESFXJTSA-N 2 1 389.341 3.597 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000552090376 871994434 /nfs/dbraw/zinc/99/44/34/871994434.db2.gz IFBVMEFOJLLKRB-FXAWDEMLSA-N 2 1 381.524 3.512 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4C)CC3)C2=O)cc1 ZINC000477923422 872154395 /nfs/dbraw/zinc/15/43/95/872154395.db2.gz AGRZLKABUIPLMF-WTIAFYNJSA-N 2 1 383.580 3.729 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3c4ccccc4C(C)(C)[C@H]3C)CC2)CC1 ZINC000619019497 872254381 /nfs/dbraw/zinc/25/43/81/872254381.db2.gz POFKPDVWCJWSTM-GOSISDBHSA-N 2 1 383.580 3.896 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552248337 872266398 /nfs/dbraw/zinc/26/63/98/872266398.db2.gz DBCZTOIWWDMORG-FYQPLNBISA-N 2 1 381.486 3.742 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000093683665 872340738 /nfs/dbraw/zinc/34/07/38/872340738.db2.gz ZIHHGSHKOLPOSG-OAQYLSRUSA-N 3 1 384.612 3.525 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000093683665 872340759 /nfs/dbraw/zinc/34/07/59/872340759.db2.gz ZIHHGSHKOLPOSG-OAQYLSRUSA-N 3 1 384.612 3.525 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000093688364 872343107 /nfs/dbraw/zinc/34/31/07/872343107.db2.gz ZXOWKWWTEQAFJS-UHFFFAOYSA-N 2 1 379.346 3.651 20 0 GHADMP c1nc2n(c1C[NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000552276747 872375346 /nfs/dbraw/zinc/37/53/46/872375346.db2.gz IRKVXVUOKYWEDX-PMVMPFDFSA-N 2 1 378.564 4.000 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030927 872381073 /nfs/dbraw/zinc/38/10/73/872381073.db2.gz YKZZFQJSEFDODS-WOJBJXKFSA-N 2 1 379.548 3.819 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030927 872381081 /nfs/dbraw/zinc/38/10/81/872381081.db2.gz YKZZFQJSEFDODS-WOJBJXKFSA-N 2 1 379.548 3.819 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030927 872381097 /nfs/dbraw/zinc/38/10/97/872381097.db2.gz YKZZFQJSEFDODS-WOJBJXKFSA-N 2 1 379.548 3.819 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447966110 872573767 /nfs/dbraw/zinc/57/37/67/872573767.db2.gz RADABPURSAFBRT-WIYYLYMNSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619404363 872615698 /nfs/dbraw/zinc/61/56/98/872615698.db2.gz DLVKUMVIRQRPRX-QHAWAJNXSA-N 2 1 392.632 3.650 20 0 GHADMP COc1ccc2c(c1)C[NH+](C/C=C\C[N@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000619740012 872943410 /nfs/dbraw/zinc/94/34/10/872943410.db2.gz STNCZDSVLYSCRR-ARJAWSKDSA-N 2 1 378.516 3.676 20 0 GHADMP COc1ccc2c(c1)C[NH+](C/C=C\C[N@@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000619740012 872943417 /nfs/dbraw/zinc/94/34/17/872943417.db2.gz STNCZDSVLYSCRR-ARJAWSKDSA-N 2 1 378.516 3.676 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2/C=C\c2cccs2)CC1 ZINC000541201118 873125006 /nfs/dbraw/zinc/12/50/06/873125006.db2.gz ARSHWTQDVUVJNE-QJRAZLAKSA-N 2 1 389.609 3.995 20 0 GHADMP CCCC[N@@H+](Cc1ccc(S(=O)(=O)NC)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196545584 873199601 /nfs/dbraw/zinc/19/96/01/873199601.db2.gz RJJOQPQCLCCZBD-UHFFFAOYSA-N 2 1 395.613 3.506 20 0 GHADMP Cc1cccc(C)c1OCCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196575776 873234306 /nfs/dbraw/zinc/23/43/06/873234306.db2.gz XKAOXUNVZHZCJX-XMMPIXPASA-N 2 1 382.548 3.641 20 0 GHADMP Cc1cccc(C)c1OCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196575776 873234320 /nfs/dbraw/zinc/23/43/20/873234320.db2.gz XKAOXUNVZHZCJX-XMMPIXPASA-N 2 1 382.548 3.641 20 0 GHADMP Cc1cccc(C)c1OCCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001196575776 873234335 /nfs/dbraw/zinc/23/43/35/873234335.db2.gz XKAOXUNVZHZCJX-XMMPIXPASA-N 2 1 382.548 3.641 20 0 GHADMP Cc1cccc(C)c1OCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001196575776 873234344 /nfs/dbraw/zinc/23/43/44/873234344.db2.gz XKAOXUNVZHZCJX-XMMPIXPASA-N 2 1 382.548 3.641 20 0 GHADMP Cn1cc(-c2nc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cs2)cn1 ZINC000527631297 873380333 /nfs/dbraw/zinc/38/03/33/873380333.db2.gz GHFZUKCNLYBFBT-UHFFFAOYSA-N 2 1 381.549 3.819 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1F ZINC000527695076 873464642 /nfs/dbraw/zinc/46/46/42/873464642.db2.gz DGAUSGAVLCNQJP-IBGZPJMESA-N 2 1 399.514 3.526 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1F ZINC000527695076 873464657 /nfs/dbraw/zinc/46/46/57/873464657.db2.gz DGAUSGAVLCNQJP-IBGZPJMESA-N 2 1 399.514 3.526 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3CC3(Cl)Cl)CC2)c1C ZINC000768740900 873546782 /nfs/dbraw/zinc/54/67/82/873546782.db2.gz DLVUTMVKZDAMSE-HNNXBMFYSA-N 2 1 386.367 3.797 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3CC3(Cl)Cl)CC2)c1C ZINC000768740900 873546792 /nfs/dbraw/zinc/54/67/92/873546792.db2.gz DLVUTMVKZDAMSE-HNNXBMFYSA-N 2 1 386.367 3.797 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197032449 873555427 /nfs/dbraw/zinc/55/54/27/873555427.db2.gz QYOCXFXOOAWSTA-SPACUTFJSA-N 2 1 377.573 3.581 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197032449 873555439 /nfs/dbraw/zinc/55/54/39/873555439.db2.gz QYOCXFXOOAWSTA-SPACUTFJSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197032449 873555450 /nfs/dbraw/zinc/55/54/50/873555450.db2.gz QYOCXFXOOAWSTA-SPACUTFJSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197032449 873555453 /nfs/dbraw/zinc/55/54/53/873555453.db2.gz QYOCXFXOOAWSTA-SPACUTFJSA-N 2 1 377.573 3.581 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882235 882762207 /nfs/dbraw/zinc/76/22/07/882762207.db2.gz IYOSEKLAYQQXII-XZOQPEGZSA-N 2 1 392.543 3.509 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000541573523 873886348 /nfs/dbraw/zinc/88/63/48/873886348.db2.gz OYQDFSGZXRJTGL-OYRHEFFESA-N 2 1 385.596 3.773 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769513517 874121020 /nfs/dbraw/zinc/12/10/20/874121020.db2.gz BEQUUCBQXSXONO-QGZVFWFLSA-N 2 1 376.570 3.549 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000528182272 874168012 /nfs/dbraw/zinc/16/80/12/874168012.db2.gz HSHWWLMGCCEBKN-OAQYLSRUSA-N 2 1 389.971 3.781 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000528182272 874168019 /nfs/dbraw/zinc/16/80/19/874168019.db2.gz HSHWWLMGCCEBKN-OAQYLSRUSA-N 2 1 389.971 3.781 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc2ccccc21 ZINC000449059081 874396587 /nfs/dbraw/zinc/39/65/87/874396587.db2.gz ACOVNYMRQNGKCW-UHFFFAOYSA-N 2 1 376.500 3.970 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449079573 874462550 /nfs/dbraw/zinc/46/25/50/874462550.db2.gz PCTDDSGSCAHXLP-UHFFFAOYSA-N 3 1 380.665 3.673 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000449101457 874473229 /nfs/dbraw/zinc/47/32/29/874473229.db2.gz FEPXXAXWSZDUMI-LJQANCHMSA-N 2 1 391.559 3.764 20 0 GHADMP O=C(COc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1)N1CCCC1 ZINC000177582997 882833137 /nfs/dbraw/zinc/83/31/37/882833137.db2.gz ZXRINQKSUCNCQP-UHFFFAOYSA-N 2 1 399.579 3.575 20 0 GHADMP CNC(=O)COc1cccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)c1 ZINC000449093723 874495253 /nfs/dbraw/zinc/49/52/53/874495253.db2.gz XJPGJASKKBKLKR-UHFFFAOYSA-N 2 1 389.584 3.580 20 0 GHADMP C[C@H](CC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000449172784 874551271 /nfs/dbraw/zinc/55/12/71/874551271.db2.gz DMWLRNUXFQIQKP-RTBURBONSA-N 2 1 388.577 3.694 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3cn(C)nc3Br)cc2)C1 ZINC000858097558 882841598 /nfs/dbraw/zinc/84/15/98/882841598.db2.gz QXVXMSMXHLQHKI-OAHLLOKOSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Br)cc2)C1 ZINC000858097558 882841611 /nfs/dbraw/zinc/84/16/11/882841611.db2.gz QXVXMSMXHLQHKI-OAHLLOKOSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Br)cc2)C1 ZINC000858097558 882841627 /nfs/dbraw/zinc/84/16/27/882841627.db2.gz QXVXMSMXHLQHKI-OAHLLOKOSA-N 2 1 391.357 3.704 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000449201716 874600680 /nfs/dbraw/zinc/60/06/80/874600680.db2.gz DPKPOZLAYSWFQJ-MRXNPFEDSA-N 2 1 391.522 3.809 20 0 GHADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845310 874627067 /nfs/dbraw/zinc/62/70/67/874627067.db2.gz MPASOCLLMHOJSO-PZJWPPBQSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccc(Cl)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845310 874627070 /nfs/dbraw/zinc/62/70/70/874627070.db2.gz MPASOCLLMHOJSO-PZJWPPBQSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845310 874627074 /nfs/dbraw/zinc/62/70/74/874627074.db2.gz MPASOCLLMHOJSO-PZJWPPBQSA-N 2 1 388.939 3.534 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CCCO1 ZINC000449284170 874668390 /nfs/dbraw/zinc/66/83/90/874668390.db2.gz OEANBTMZGJMEKG-UQPPLGOBSA-N 2 1 399.348 3.925 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CCCO1 ZINC000449284170 874668395 /nfs/dbraw/zinc/66/83/95/874668395.db2.gz OEANBTMZGJMEKG-UQPPLGOBSA-N 2 1 399.348 3.925 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000449295984 874684466 /nfs/dbraw/zinc/68/44/66/874684466.db2.gz WQQQOVYMFSOSDK-PMACEKPBSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]2CCCC[C@H]12 ZINC000542046617 874815612 /nfs/dbraw/zinc/81/56/12/874815612.db2.gz ITUKEQGFBHIJOE-UIFIKXQLSA-N 2 1 387.593 3.684 20 0 GHADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccccc1 ZINC001199350341 874918798 /nfs/dbraw/zinc/91/87/98/874918798.db2.gz XNYDOYKTNLAHBS-FQEVSTJZSA-N 2 1 386.499 3.977 20 0 GHADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001199350341 874918801 /nfs/dbraw/zinc/91/88/01/874918801.db2.gz XNYDOYKTNLAHBS-FQEVSTJZSA-N 2 1 386.499 3.977 20 0 GHADMP C[NH+](C)[C@@H](C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)C1CCCCC1 ZINC001199335691 874934378 /nfs/dbraw/zinc/93/43/78/874934378.db2.gz AAPVROICGMDEOK-QFIPXVFZSA-N 2 1 387.568 3.888 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000105456847 875298621 /nfs/dbraw/zinc/29/86/21/875298621.db2.gz XJHXTGLWYYSMAS-IBGZPJMESA-N 2 1 383.536 3.879 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000105456847 875298631 /nfs/dbraw/zinc/29/86/31/875298631.db2.gz XJHXTGLWYYSMAS-IBGZPJMESA-N 2 1 383.536 3.879 20 0 GHADMP COc1cc(F)cc(C[C@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000449778770 875381761 /nfs/dbraw/zinc/38/17/61/875381761.db2.gz CEOVWFDMNKFLJD-AWEZNQCLSA-N 2 1 377.529 3.778 20 0 GHADMP COc1cc(F)cc(C[C@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000449778770 875381773 /nfs/dbraw/zinc/38/17/73/875381773.db2.gz CEOVWFDMNKFLJD-AWEZNQCLSA-N 2 1 377.529 3.778 20 0 GHADMP Brc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc2c1OCO2 ZINC001200922030 875394256 /nfs/dbraw/zinc/39/42/56/875394256.db2.gz KTQNBXOGCQUHTN-UHFFFAOYSA-N 2 1 381.314 3.674 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnnn2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000491345788 875622797 /nfs/dbraw/zinc/62/27/97/875622797.db2.gz JKWAMEPERHISFU-NZQKXSOJSA-N 2 1 389.547 3.717 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)CC3 ZINC000491424794 875680595 /nfs/dbraw/zinc/68/05/95/875680595.db2.gz XFIZKKXQSRTZCR-NRFANRHFSA-N 2 1 389.543 3.956 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC001201429073 875683715 /nfs/dbraw/zinc/68/37/15/875683715.db2.gz UQTSAISHFMUZNX-SFHVURJKSA-N 2 1 377.573 3.796 20 0 GHADMP CN1CCN(c2cc(Nc3ccc(CC[NH+]4CCCCC4)cc3)cc[nH+]2)CC1 ZINC001201672801 875807533 /nfs/dbraw/zinc/80/75/33/875807533.db2.gz MOPWQKIMCILBII-UHFFFAOYSA-N 2 1 379.552 3.605 20 0 GHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529567468 876340192 /nfs/dbraw/zinc/34/01/92/876340192.db2.gz UKEUSGNEFNPMTO-PBWFPOADSA-N 2 1 395.370 3.958 20 0 GHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529567468 876340206 /nfs/dbraw/zinc/34/02/06/876340206.db2.gz UKEUSGNEFNPMTO-PBWFPOADSA-N 2 1 395.370 3.958 20 0 GHADMP C[NH+](Cc1c[nH]nc1-c1ccc(Br)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529567468 876340217 /nfs/dbraw/zinc/34/02/17/876340217.db2.gz UKEUSGNEFNPMTO-PBWFPOADSA-N 2 1 395.370 3.958 20 0 GHADMP C[NH+](Cc1c[nH]nc1-c1ccc(Br)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529567468 876340230 /nfs/dbraw/zinc/34/02/30/876340230.db2.gz UKEUSGNEFNPMTO-PBWFPOADSA-N 2 1 395.370 3.958 20 0 GHADMP CC[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000529799329 876681605 /nfs/dbraw/zinc/68/16/05/876681605.db2.gz CKCHRDVPXIRMJD-QFIPXVFZSA-N 2 1 385.596 3.710 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000173895359 876706654 /nfs/dbraw/zinc/70/66/54/876706654.db2.gz MONDQRSELCIHCS-LJQANCHMSA-N 2 1 393.531 3.520 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000173895359 876706662 /nfs/dbraw/zinc/70/66/62/876706662.db2.gz MONDQRSELCIHCS-LJQANCHMSA-N 2 1 393.531 3.520 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000173895359 876706668 /nfs/dbraw/zinc/70/66/68/876706668.db2.gz MONDQRSELCIHCS-LJQANCHMSA-N 2 1 393.531 3.520 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000173895359 876706675 /nfs/dbraw/zinc/70/66/75/876706675.db2.gz MONDQRSELCIHCS-LJQANCHMSA-N 2 1 393.531 3.520 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850439085 876922263 /nfs/dbraw/zinc/92/22/63/876922263.db2.gz YRLILGXRQVQTOJ-GOSISDBHSA-N 2 1 394.441 3.597 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000786837227 876955144 /nfs/dbraw/zinc/95/51/44/876955144.db2.gz JQNZBAMKUAEGQD-RTBURBONSA-N 2 1 393.369 3.978 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836913 876957228 /nfs/dbraw/zinc/95/72/28/876957228.db2.gz QENPMKJOXDCVDA-XQBPLPMBSA-N 2 1 392.547 3.920 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836913 876957256 /nfs/dbraw/zinc/95/72/56/876957256.db2.gz QENPMKJOXDCVDA-XQBPLPMBSA-N 2 1 392.547 3.920 20 0 GHADMP C[C@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850566088 877031796 /nfs/dbraw/zinc/03/17/96/877031796.db2.gz VGQQMCKZJBFOQA-SBXGTEJRSA-N 2 1 399.579 3.886 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1 ZINC000787009070 877078709 /nfs/dbraw/zinc/07/87/09/877078709.db2.gz HCCIMFGSDOZYEC-DFFLPILJSA-N 2 1 379.460 3.682 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551029852 883095711 /nfs/dbraw/zinc/09/57/11/883095711.db2.gz BGZWPABYBHAEMB-LADGPHEKSA-N 3 1 381.564 3.942 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551029852 883095728 /nfs/dbraw/zinc/09/57/28/883095728.db2.gz BGZWPABYBHAEMB-LADGPHEKSA-N 3 1 381.564 3.942 20 0 GHADMP C(=C\c1ccccc1)\CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450980264 877178891 /nfs/dbraw/zinc/17/88/91/877178891.db2.gz DYGTZERSZDDIGR-XNZHOLMXSA-N 2 1 375.560 3.982 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560683 912217608 /nfs/dbraw/zinc/21/76/08/912217608.db2.gz MSLDKWVDBPNJKO-ZUEVXXBESA-N 2 1 399.348 3.864 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000174879950 877304151 /nfs/dbraw/zinc/30/41/51/877304151.db2.gz FLKDXKMDZLSWKX-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1Cl ZINC000642634544 912231484 /nfs/dbraw/zinc/23/14/84/912231484.db2.gz YDYPLFUTMWSERX-GOSISDBHSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000137479517 877550127 /nfs/dbraw/zinc/55/01/27/877550127.db2.gz AABQHHAFJFOQLN-PKOBYXMFSA-N 2 1 391.515 3.887 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000175429360 877697405 /nfs/dbraw/zinc/69/74/05/877697405.db2.gz SEVXVKOFGGDFHR-SJORKVTESA-N 2 1 379.976 3.753 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175506883 877741622 /nfs/dbraw/zinc/74/16/22/877741622.db2.gz JHOGWIWBRRQLLJ-ICSRJNTNSA-N 2 1 392.613 3.552 20 0 GHADMP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000615462802 877774575 /nfs/dbraw/zinc/77/45/75/877774575.db2.gz HPFQTPFHYRIYTK-NRFANRHFSA-N 2 1 383.561 3.538 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000530576574 878062472 /nfs/dbraw/zinc/06/24/72/878062472.db2.gz LDHFYWYZEZNVRZ-QAPCUYQASA-N 2 1 385.474 3.546 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527156 878091761 /nfs/dbraw/zinc/09/17/61/878091761.db2.gz JQCGPZCYCJWGLK-AVRDEDQJSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527156 878091774 /nfs/dbraw/zinc/09/17/74/878091774.db2.gz JQCGPZCYCJWGLK-AVRDEDQJSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527156 878091792 /nfs/dbraw/zinc/09/17/92/878091792.db2.gz JQCGPZCYCJWGLK-AVRDEDQJSA-N 2 1 389.971 3.594 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[NH+](CCCCC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)C1 ZINC000411940966 878142844 /nfs/dbraw/zinc/14/28/44/878142844.db2.gz LKWGCTLNJPMFRN-ZGFBMJKBSA-N 2 1 394.559 3.773 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000176377760 878237167 /nfs/dbraw/zinc/23/71/67/878237167.db2.gz VZFQTBYITOGWPE-QFIPXVFZSA-N 2 1 398.595 3.557 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245664415 878318362 /nfs/dbraw/zinc/31/83/62/878318362.db2.gz GJXFPHGPSQVNIE-NUNAXRQHSA-N 2 1 380.532 3.997 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000245682630 878368211 /nfs/dbraw/zinc/36/82/11/878368211.db2.gz VQFQKJFXHLRQTD-XZOQPEGZSA-N 2 1 392.547 3.527 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@@H](C)C1 ZINC000245707211 878433990 /nfs/dbraw/zinc/43/39/90/878433990.db2.gz FFUHDBSXIGSMIS-GHTZIAJQSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@@H](C)C1 ZINC000245707211 878433994 /nfs/dbraw/zinc/43/39/94/878433994.db2.gz FFUHDBSXIGSMIS-GHTZIAJQSA-N 2 1 383.536 3.831 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc(C)ccc1OC ZINC000537889487 878464149 /nfs/dbraw/zinc/46/41/49/878464149.db2.gz XRJIPXJHGSIEGO-HSZRJFAPSA-N 2 1 381.564 3.992 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(F)c1 ZINC000245745806 878522915 /nfs/dbraw/zinc/52/29/15/878522915.db2.gz SOJWFDUVMUPKBG-WBDAEOGXSA-N 2 1 395.522 3.731 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000245909715 878733620 /nfs/dbraw/zinc/73/36/20/878733620.db2.gz FRYSSTYVEPYPQQ-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000245909715 878733632 /nfs/dbraw/zinc/73/36/32/878733632.db2.gz FRYSSTYVEPYPQQ-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000245909715 878733643 /nfs/dbraw/zinc/73/36/43/878733643.db2.gz FRYSSTYVEPYPQQ-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044193 878751921 /nfs/dbraw/zinc/75/19/21/878751921.db2.gz BBTNNBJNJDWJHY-FGTMMUONSA-N 2 1 380.960 3.991 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044193 878751930 /nfs/dbraw/zinc/75/19/30/878751930.db2.gz BBTNNBJNJDWJHY-FGTMMUONSA-N 2 1 380.960 3.991 20 0 GHADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538044579 878752410 /nfs/dbraw/zinc/75/24/10/878752410.db2.gz HAKZAPFZKPJNDN-KZNAEPCWSA-N 2 1 380.960 3.991 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177601967 878773320 /nfs/dbraw/zinc/77/33/20/878773320.db2.gz JJKKSYLUNVSUAN-IEBWSBKVSA-N 2 1 375.582 3.656 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000530952816 878830906 /nfs/dbraw/zinc/83/09/06/878830906.db2.gz SDMYOBJQYPPFMI-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000530952816 878830928 /nfs/dbraw/zinc/83/09/28/878830928.db2.gz SDMYOBJQYPPFMI-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000530952816 878830944 /nfs/dbraw/zinc/83/09/44/878830944.db2.gz SDMYOBJQYPPFMI-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000853239555 878922558 /nfs/dbraw/zinc/92/25/58/878922558.db2.gz HWQHOFCPYPCYNC-HKUYNNGSSA-N 2 1 379.589 3.734 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000246133256 879034176 /nfs/dbraw/zinc/03/41/76/879034176.db2.gz JAKRRYWGTMEJMM-QWFCFKBJSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246133256 879034189 /nfs/dbraw/zinc/03/41/89/879034189.db2.gz JAKRRYWGTMEJMM-QWFCFKBJSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246133256 879034200 /nfs/dbraw/zinc/03/42/00/879034200.db2.gz JAKRRYWGTMEJMM-QWFCFKBJSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178258077 879061898 /nfs/dbraw/zinc/06/18/98/879061898.db2.gz TUQSAEHHQRZMMZ-QGZVFWFLSA-N 2 1 390.593 3.928 20 0 GHADMP [NH3+]C1(CNCc2c(Cl)ccc3cccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000667057052 879095401 /nfs/dbraw/zinc/09/54/01/879095401.db2.gz CNBPDQMDPIGNMY-UHFFFAOYSA-N 2 1 394.950 3.971 20 0 GHADMP C[C@H]1CCCC[C@H]1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531188914 879278257 /nfs/dbraw/zinc/27/82/57/879278257.db2.gz HJFPVCHAVSIZPV-FPOVZHCZSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@H](C)O1 ZINC000531178261 879298287 /nfs/dbraw/zinc/29/82/87/879298287.db2.gz ALIXVSSBFNSCJS-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP C[N@H+](CCCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)C1CCCCC1 ZINC000665990177 879299445 /nfs/dbraw/zinc/29/94/45/879299445.db2.gz YRSDWPMFHWQAHT-UHFFFAOYSA-N 2 1 382.552 3.540 20 0 GHADMP C[N@@H+](CCCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)C1CCCCC1 ZINC000665990177 879299457 /nfs/dbraw/zinc/29/94/57/879299457.db2.gz YRSDWPMFHWQAHT-UHFFFAOYSA-N 2 1 382.552 3.540 20 0 GHADMP C[NH+](CCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)C1CCCCC1 ZINC000665990177 879299473 /nfs/dbraw/zinc/29/94/73/879299473.db2.gz YRSDWPMFHWQAHT-UHFFFAOYSA-N 2 1 382.552 3.540 20 0 GHADMP C[NH+](CCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)C1CCCCC1 ZINC000665990177 879299490 /nfs/dbraw/zinc/29/94/90/879299490.db2.gz YRSDWPMFHWQAHT-UHFFFAOYSA-N 2 1 382.552 3.540 20 0 GHADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000538447082 879507276 /nfs/dbraw/zinc/50/72/76/879507276.db2.gz WGIXXVHWEYONHQ-UHFFFAOYSA-N 2 1 378.339 3.924 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000538447082 879507279 /nfs/dbraw/zinc/50/72/79/879507279.db2.gz WGIXXVHWEYONHQ-UHFFFAOYSA-N 2 1 378.339 3.924 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000246396043 879509467 /nfs/dbraw/zinc/50/94/67/879509467.db2.gz RGKIQOQMSYQUPG-ABSDTBQOSA-N 2 1 394.991 3.847 20 0 GHADMP COc1ccccc1-c1ccnc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000854095651 879523853 /nfs/dbraw/zinc/52/38/53/879523853.db2.gz CIQSMBGJOPGLDT-IBGZPJMESA-N 2 1 380.536 3.816 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000246455247 879576871 /nfs/dbraw/zinc/57/68/71/879576871.db2.gz FQFYZWAPXZWNFY-PMOQBDJRSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000854223811 879641541 /nfs/dbraw/zinc/64/15/41/879641541.db2.gz HOTSJOSNDWIYKN-IPHXSNPTSA-N 2 1 383.467 3.579 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000246547277 879669090 /nfs/dbraw/zinc/66/90/90/879669090.db2.gz YMCXOBZYMXHKDV-CMKODMSKSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246547277 879669091 /nfs/dbraw/zinc/66/90/91/879669091.db2.gz YMCXOBZYMXHKDV-CMKODMSKSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246547277 879669093 /nfs/dbraw/zinc/66/90/93/879669093.db2.gz YMCXOBZYMXHKDV-CMKODMSKSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(CN1C[C@]2(CN3CCC2CC3)OC1=O)C1CC1 ZINC000790370077 879672577 /nfs/dbraw/zinc/67/25/77/879672577.db2.gz NXWJRUBGSLHPFW-VFNWGFHPSA-N 2 1 389.927 3.740 20 0 GHADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000493890090 879703178 /nfs/dbraw/zinc/70/31/78/879703178.db2.gz ANBBDXVPSWVJPX-OYDLWJJNSA-N 2 1 381.564 3.731 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246767090 879797544 /nfs/dbraw/zinc/79/75/44/879797544.db2.gz HXIMYYGBPCNQBI-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246767090 879797549 /nfs/dbraw/zinc/79/75/49/879797549.db2.gz HXIMYYGBPCNQBI-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246767090 879797556 /nfs/dbraw/zinc/79/75/56/879797556.db2.gz HXIMYYGBPCNQBI-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461430007 879800012 /nfs/dbraw/zinc/80/00/12/879800012.db2.gz KLMXBNTZYVNNNO-ZLNRFVROSA-N 2 1 395.591 3.622 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461430007 879800024 /nfs/dbraw/zinc/80/00/24/879800024.db2.gz KLMXBNTZYVNNNO-ZLNRFVROSA-N 2 1 395.591 3.622 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461430007 879800031 /nfs/dbraw/zinc/80/00/31/879800031.db2.gz KLMXBNTZYVNNNO-ZLNRFVROSA-N 2 1 395.591 3.622 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000246904225 879846712 /nfs/dbraw/zinc/84/67/12/879846712.db2.gz GATOEFJLTIXUAK-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000246904225 879846727 /nfs/dbraw/zinc/84/67/27/879846727.db2.gz GATOEFJLTIXUAK-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285937703 912509055 /nfs/dbraw/zinc/50/90/55/912509055.db2.gz FPAYQSGUOPLNSV-ZNDGOPKYSA-N 2 1 391.515 3.864 20 0 GHADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000247017595 879883906 /nfs/dbraw/zinc/88/39/06/879883906.db2.gz LOOUXKOFQKALJT-ZWKOTPCHSA-N 2 1 384.520 3.775 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000247161199 879933333 /nfs/dbraw/zinc/93/33/33/879933333.db2.gz YYKWBRZBZAXDNM-OALUTQOASA-N 2 1 389.609 3.731 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000247161199 879933340 /nfs/dbraw/zinc/93/33/40/879933340.db2.gz YYKWBRZBZAXDNM-OALUTQOASA-N 2 1 389.609 3.731 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000247161199 879933349 /nfs/dbraw/zinc/93/33/49/879933349.db2.gz YYKWBRZBZAXDNM-OALUTQOASA-N 2 1 389.609 3.731 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC(F)F ZINC000247174635 879936548 /nfs/dbraw/zinc/93/65/48/879936548.db2.gz YSAWHNRFPOARNW-OWCLPIDISA-N 2 1 386.483 3.837 20 0 GHADMP C[C@@H](CN1CCC[C@@H]1C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000247240520 879952140 /nfs/dbraw/zinc/95/21/40/879952140.db2.gz ZBLHBQULKROUOL-BKFWDETESA-N 2 1 390.660 3.523 20 0 GHADMP C[C@H](CN1CCC[C@H]1C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000247240520 879952157 /nfs/dbraw/zinc/95/21/57/879952157.db2.gz ZBLHBQULKROUOL-BKFWDETESA-N 2 1 390.660 3.523 20 0 GHADMP C[C@H](CN1CCC[C@H]1C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000247240520 879952173 /nfs/dbraw/zinc/95/21/73/879952173.db2.gz ZBLHBQULKROUOL-BKFWDETESA-N 2 1 390.660 3.523 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247327871 879971513 /nfs/dbraw/zinc/97/15/13/879971513.db2.gz IVXBSUUXAAAATO-URVUXULASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247470748 880006902 /nfs/dbraw/zinc/00/69/02/880006902.db2.gz SCQDACBKBJNKKU-FNXHNPQUSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247470748 880006913 /nfs/dbraw/zinc/00/69/13/880006913.db2.gz SCQDACBKBJNKKU-FNXHNPQUSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247470748 880006923 /nfs/dbraw/zinc/00/69/23/880006923.db2.gz SCQDACBKBJNKKU-FNXHNPQUSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247558364 880024766 /nfs/dbraw/zinc/02/47/66/880024766.db2.gz RHMDOIZBZBYOBJ-SNWXZZBVSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000247558364 880024783 /nfs/dbraw/zinc/02/47/83/880024783.db2.gz RHMDOIZBZBYOBJ-SNWXZZBVSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000247558364 880024796 /nfs/dbraw/zinc/02/47/96/880024796.db2.gz RHMDOIZBZBYOBJ-SNWXZZBVSA-N 2 1 398.595 3.746 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247692118 880049993 /nfs/dbraw/zinc/04/99/93/880049993.db2.gz WBAUNPUMJLQOQX-HOTGVXAUSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247692118 880050005 /nfs/dbraw/zinc/05/00/05/880050005.db2.gz WBAUNPUMJLQOQX-HOTGVXAUSA-N 2 1 387.351 3.541 20 0 GHADMP CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000285989068 912528148 /nfs/dbraw/zinc/52/81/48/912528148.db2.gz IAEWBJLXSSYPCX-TZRRMPRUSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3OC)C2)CC1 ZINC000183421041 880102812 /nfs/dbraw/zinc/10/28/12/880102812.db2.gz ORRFABFMWOWVJR-HSZRJFAPSA-N 2 1 379.548 3.574 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000531598100 880197317 /nfs/dbraw/zinc/19/73/17/880197317.db2.gz VHYURKQUKKCBBY-FQEVSTJZSA-N 2 1 386.628 3.817 20 0 GHADMP C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000531598100 880197326 /nfs/dbraw/zinc/19/73/26/880197326.db2.gz VHYURKQUKKCBBY-FQEVSTJZSA-N 2 1 386.628 3.817 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000531738427 880367277 /nfs/dbraw/zinc/36/72/77/880367277.db2.gz RHGSIDGDLDOWOE-YYWHXJBOSA-N 2 1 381.992 3.669 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531738427 880367294 /nfs/dbraw/zinc/36/72/94/880367294.db2.gz RHGSIDGDLDOWOE-YYWHXJBOSA-N 2 1 381.992 3.669 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531738427 880367320 /nfs/dbraw/zinc/36/73/20/880367320.db2.gz RHGSIDGDLDOWOE-YYWHXJBOSA-N 2 1 381.992 3.669 20 0 GHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc2n1CCCC2 ZINC000453083158 880439291 /nfs/dbraw/zinc/43/92/91/880439291.db2.gz MXOTZRWAYDEFSF-RJGXRXQPSA-N 2 1 378.564 3.795 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)[C@@H](C)C1 ZINC000453131564 880523587 /nfs/dbraw/zinc/52/35/87/880523587.db2.gz VLJCJDPLLMLRAO-ZVDOUQERSA-N 2 1 384.568 3.875 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)[C@@H](C)C1 ZINC000453131564 880523598 /nfs/dbraw/zinc/52/35/98/880523598.db2.gz VLJCJDPLLMLRAO-ZVDOUQERSA-N 2 1 384.568 3.875 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(C(F)(F)F)n1 ZINC000453176450 880543424 /nfs/dbraw/zinc/54/34/24/880543424.db2.gz QUVYCKDXTRBZDC-GUDVDZBRSA-N 2 1 392.469 3.972 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(C(F)(F)F)n1 ZINC000453176450 880543431 /nfs/dbraw/zinc/54/34/31/880543431.db2.gz QUVYCKDXTRBZDC-GUDVDZBRSA-N 2 1 392.469 3.972 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453155505 880549744 /nfs/dbraw/zinc/54/97/44/880549744.db2.gz URNOECIEXBAMMB-STZQEDGTSA-N 2 1 382.552 3.524 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453155505 880549749 /nfs/dbraw/zinc/54/97/49/880549749.db2.gz URNOECIEXBAMMB-STZQEDGTSA-N 2 1 382.552 3.524 20 0 GHADMP COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000531989426 880843481 /nfs/dbraw/zinc/84/34/81/880843481.db2.gz OXBXAOFMSSJESY-INIZCTEOSA-N 2 1 378.476 3.616 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000186503517 880902830 /nfs/dbraw/zinc/90/28/30/880902830.db2.gz SPPOWGWEGQIVET-MNEFBYGVSA-N 2 1 383.374 3.859 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000186503517 880902842 /nfs/dbraw/zinc/90/28/42/880902842.db2.gz SPPOWGWEGQIVET-MNEFBYGVSA-N 2 1 383.374 3.859 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OCC ZINC000532015851 880926308 /nfs/dbraw/zinc/92/63/08/880926308.db2.gz APHFHKREFVCHFS-LEWJYISDSA-N 2 1 390.568 3.732 20 0 GHADMP COc1c(Br)cccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000187173627 881091558 /nfs/dbraw/zinc/09/15/58/881091558.db2.gz KBUXLYQKMZQFNN-UHFFFAOYSA-N 2 1 393.325 3.688 20 0 GHADMP CC1(C)C[C@H](Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C[N@H+]1Cc1ccccc1 ZINC000643348916 912649068 /nfs/dbraw/zinc/64/90/68/912649068.db2.gz IOYVWYMDTZBEQZ-XZOQPEGZSA-N 2 1 379.548 3.718 20 0 GHADMP CC1(C)C[C@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C[NH+]1Cc1ccccc1 ZINC000643348916 912649072 /nfs/dbraw/zinc/64/90/72/912649072.db2.gz IOYVWYMDTZBEQZ-XZOQPEGZSA-N 2 1 379.548 3.718 20 0 GHADMP CC1(C)C[C@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)C[NH+]1Cc1ccccc1 ZINC000643348916 912649076 /nfs/dbraw/zinc/64/90/76/912649076.db2.gz IOYVWYMDTZBEQZ-XZOQPEGZSA-N 2 1 379.548 3.718 20 0 GHADMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)cc1I ZINC001170204306 881237806 /nfs/dbraw/zinc/23/78/06/881237806.db2.gz CJRZMEICKHBUST-SJPCQFCGSA-N 2 1 398.332 3.965 20 0 GHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)cc1I ZINC001170204306 881237818 /nfs/dbraw/zinc/23/78/18/881237818.db2.gz CJRZMEICKHBUST-SJPCQFCGSA-N 2 1 398.332 3.965 20 0 GHADMP Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)cc1I ZINC001170204306 881237833 /nfs/dbraw/zinc/23/78/33/881237833.db2.gz CJRZMEICKHBUST-SJPCQFCGSA-N 2 1 398.332 3.965 20 0 GHADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]ccc3cc(-c4ccc(F)cc4)[nH]c32)O1 ZINC001170271939 881288876 /nfs/dbraw/zinc/28/88/76/881288876.db2.gz FWNCSYUYPLAJJX-OPYAIIAOSA-N 2 1 384.455 3.506 20 0 GHADMP CN(C)C(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000499150328 881304710 /nfs/dbraw/zinc/30/47/10/881304710.db2.gz WGHXJNFFBKRAIR-XQUALCHDSA-N 2 1 391.559 3.991 20 0 GHADMP CN(C)C(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499150328 881304732 /nfs/dbraw/zinc/30/47/32/881304732.db2.gz WGHXJNFFBKRAIR-XQUALCHDSA-N 2 1 391.559 3.991 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000858496704 883150627 /nfs/dbraw/zinc/15/06/27/883150627.db2.gz BBPCNPDIOYWTKK-IBGZPJMESA-N 2 1 379.548 3.855 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000123183503 883157595 /nfs/dbraw/zinc/15/75/95/883157595.db2.gz GSUKAOMAWXIPPL-XMSQKQJNSA-N 2 1 395.551 3.902 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(C)[C@H](c4ccccc4)C3)CC2)oc1C ZINC000551049834 883171776 /nfs/dbraw/zinc/17/17/76/883171776.db2.gz BSMLONYMXXMQJA-PKTZIBPZSA-N 2 1 396.579 3.929 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cc(N)ccc2F)cc1 ZINC000183150416 883239839 /nfs/dbraw/zinc/23/98/39/883239839.db2.gz VKKUQQDQVCEBKP-CQSZACIVSA-N 2 1 381.455 3.581 20 0 GHADMP Cc1ccc(-c2noc([C@]34C[N@@H+](Cc5ccccc5)C[C@H]3C[NH2+]CCC4)n2)cc1 ZINC001212261168 883374383 /nfs/dbraw/zinc/37/43/83/883374383.db2.gz SAELVPYWRNEZEP-ZJSXRUAMSA-N 2 1 388.515 3.798 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001170469584 883435506 /nfs/dbraw/zinc/43/55/06/883435506.db2.gz XRUAIXYLYBWCBJ-IBGZPJMESA-N 2 1 377.960 3.810 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000551199323 883474807 /nfs/dbraw/zinc/47/48/07/883474807.db2.gz YRVZDFPTELUHAX-AWEZNQCLSA-N 2 1 396.354 3.623 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476975249 883510654 /nfs/dbraw/zinc/51/06/54/883510654.db2.gz QGIJBFNBNSHIQY-RBUKOAKNSA-N 2 1 389.559 3.807 20 0 GHADMP O=C(OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)C1CC[NH+](C2CC2)CC1 ZINC000805879664 884172661 /nfs/dbraw/zinc/17/26/61/884172661.db2.gz RAWRGURUMFGHMU-MRXNPFEDSA-N 2 1 392.490 3.594 20 0 GHADMP CC[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997716 884252017 /nfs/dbraw/zinc/25/20/17/884252017.db2.gz PZJLOYXABHQJDG-UHFFFAOYSA-N 2 1 375.557 3.827 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860039088 884281274 /nfs/dbraw/zinc/28/12/74/884281274.db2.gz YQTKFVCAJGYSEK-YRPNKDGESA-N 2 1 388.556 3.549 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860039088 884281291 /nfs/dbraw/zinc/28/12/91/884281291.db2.gz YQTKFVCAJGYSEK-YRPNKDGESA-N 2 1 388.556 3.549 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531190 884326834 /nfs/dbraw/zinc/32/68/34/884326834.db2.gz AFZBCHDHJHXACS-TZIWHRDSSA-N 2 1 399.623 3.885 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531190 884326853 /nfs/dbraw/zinc/32/68/53/884326853.db2.gz AFZBCHDHJHXACS-TZIWHRDSSA-N 2 1 399.623 3.885 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)C[C@@H](C)O1 ZINC000170780107 884550458 /nfs/dbraw/zinc/55/04/58/884550458.db2.gz LLGCFASDSGHSOS-IAGOWNOFSA-N 2 1 386.565 3.526 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000017316857 884556939 /nfs/dbraw/zinc/55/69/39/884556939.db2.gz IRNCXXQOZVTKOZ-UHFFFAOYSA-N 2 1 381.520 3.912 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCCCCNC(=O)OC(C)(C)C ZINC001168284962 884563777 /nfs/dbraw/zinc/56/37/77/884563777.db2.gz PTCHBAORTSULCG-AABGKKOBSA-N 2 1 397.604 3.645 20 0 GHADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455870761 884642119 /nfs/dbraw/zinc/64/21/19/884642119.db2.gz XJTZVZMHVIGUCJ-JTSKRJEESA-N 2 1 380.536 3.878 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455870763 884642460 /nfs/dbraw/zinc/64/24/60/884642460.db2.gz XJTZVZMHVIGUCJ-VGSWGCGISA-N 2 1 380.536 3.878 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000498566878 884854128 /nfs/dbraw/zinc/85/41/28/884854128.db2.gz KBONTXLDAIKAPM-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP c1ccc(CN2CCSC[C@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000428553658 884889636 /nfs/dbraw/zinc/88/96/36/884889636.db2.gz YGBGBLHHUHXAKA-XMMPIXPASA-N 2 1 395.616 3.858 20 0 GHADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)c1ccccc1 ZINC000170860372 885005120 /nfs/dbraw/zinc/00/51/20/885005120.db2.gz XVVAGAAVSSFURD-JOCHJYFZSA-N 2 1 398.526 3.598 20 0 GHADMP Brc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)s1 ZINC000655767147 885424223 /nfs/dbraw/zinc/42/42/23/885424223.db2.gz RBQAGJMEPYHLBM-HNNXBMFYSA-N 2 1 399.398 3.775 20 0 GHADMP COCCC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655767544 885456982 /nfs/dbraw/zinc/45/69/82/885456982.db2.gz VOQDBSYZYAGNQL-WIYYLYMNSA-N 2 1 380.960 3.693 20 0 GHADMP C[C@H](c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000556583678 885561504 /nfs/dbraw/zinc/56/15/04/885561504.db2.gz GRKDZKUTBIJPCB-CQSZACIVSA-N 2 1 392.425 3.752 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000495374144 885561500 /nfs/dbraw/zinc/56/15/00/885561500.db2.gz MSSMRLKCCXZJQW-QKNQBKEWSA-N 2 1 395.547 3.913 20 0 GHADMP COc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1Cl ZINC000556585015 885562803 /nfs/dbraw/zinc/56/28/03/885562803.db2.gz DLRAWMPSGJORBU-JKSUJKDBSA-N 2 1 389.927 3.815 20 0 GHADMP COc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1Cl ZINC000556585015 885562820 /nfs/dbraw/zinc/56/28/20/885562820.db2.gz DLRAWMPSGJORBU-JKSUJKDBSA-N 2 1 389.927 3.815 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cn2)n1 ZINC000550624330 885595705 /nfs/dbraw/zinc/59/57/05/885595705.db2.gz POEOGLXRHVWASH-FCHUYYIVSA-N 2 1 375.520 3.809 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)cn2)n1 ZINC000550624330 885595720 /nfs/dbraw/zinc/59/57/20/885595720.db2.gz POEOGLXRHVWASH-FCHUYYIVSA-N 2 1 375.520 3.809 20 0 GHADMP CC(C)[NH+](CCS[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000762204081 885688983 /nfs/dbraw/zinc/68/89/83/885688983.db2.gz PTRMNLITRLNNBI-FPOVZHCZSA-N 2 1 391.625 3.618 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC001184044417 912982123 /nfs/dbraw/zinc/98/21/23/912982123.db2.gz AAPLAMLGZGQBIZ-BEFAXECRSA-N 2 1 381.358 3.786 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000495504749 885986674 /nfs/dbraw/zinc/98/66/74/885986674.db2.gz WGZKTELHCGFPSC-RTBURBONSA-N 2 1 397.567 3.813 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000495686237 886435791 /nfs/dbraw/zinc/43/57/91/886435791.db2.gz UPOJWSNWPMRNKL-DEOSSOPVSA-N 2 1 391.559 3.923 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166224054 886621014 /nfs/dbraw/zinc/62/10/14/886621014.db2.gz XTSKVZKLAVZZRS-ZWKOTPCHSA-N 2 1 383.492 3.608 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166224054 886621030 /nfs/dbraw/zinc/62/10/30/886621030.db2.gz XTSKVZKLAVZZRS-ZWKOTPCHSA-N 2 1 383.492 3.608 20 0 GHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808680320 886636871 /nfs/dbraw/zinc/63/68/71/886636871.db2.gz KFKDMDLHBIQHSN-PLACYPQZSA-N 2 1 387.568 3.996 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808680320 886636877 /nfs/dbraw/zinc/63/68/77/886636877.db2.gz KFKDMDLHBIQHSN-PLACYPQZSA-N 2 1 387.568 3.996 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000119613057 886788136 /nfs/dbraw/zinc/78/81/36/886788136.db2.gz GXVFJWGKORGMHH-QHCPKHFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCC[NH2+]1 ZINC000237571388 886965493 /nfs/dbraw/zinc/96/54/93/886965493.db2.gz BXNHOXMZJGKFGU-IBGZPJMESA-N 2 1 384.351 3.606 20 0 GHADMP [NH3+][C@H](CCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000237914308 887005679 /nfs/dbraw/zinc/00/56/79/887005679.db2.gz TUKJGIMIASOBPF-OAQYLSRUSA-N 2 1 387.474 3.526 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001184265196 913106422 /nfs/dbraw/zinc/10/64/22/913106422.db2.gz QEOMRRVEQWKZEI-CCSOBJBWSA-N 2 1 394.515 3.856 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000762916803 887094462 /nfs/dbraw/zinc/09/44/62/887094462.db2.gz IUZKDVNMILTFRA-IBGZPJMESA-N 2 1 376.545 3.693 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]2C1 ZINC001184303622 913114924 /nfs/dbraw/zinc/11/49/24/913114924.db2.gz QVMUQMBJNZPGOX-DNVJHFABSA-N 2 1 399.579 3.697 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC1)CC(C)C ZINC000459310569 887250451 /nfs/dbraw/zinc/25/04/51/887250451.db2.gz NNTCXAIBASPAQA-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1)CC(C)C ZINC000459310569 887250468 /nfs/dbraw/zinc/25/04/68/887250468.db2.gz NNTCXAIBASPAQA-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1)CC(C)C ZINC000459310569 887250485 /nfs/dbraw/zinc/25/04/85/887250485.db2.gz NNTCXAIBASPAQA-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000809605509 887616948 /nfs/dbraw/zinc/61/69/48/887616948.db2.gz CYISYRCBNYNYPU-HNNXBMFYSA-N 2 1 379.346 3.841 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000809605509 887616950 /nfs/dbraw/zinc/61/69/50/887616950.db2.gz CYISYRCBNYNYPU-HNNXBMFYSA-N 2 1 379.346 3.841 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000532682579 887719197 /nfs/dbraw/zinc/71/91/97/887719197.db2.gz CYFURWWODDWJAY-JOCHJYFZSA-N 2 1 392.547 3.837 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000809739099 887773648 /nfs/dbraw/zinc/77/36/48/887773648.db2.gz XJXVHJWILMQGCK-UHFFFAOYSA-N 2 1 375.557 3.827 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000809948789 888014375 /nfs/dbraw/zinc/01/43/75/888014375.db2.gz MYJSZNNFZUFZEK-UFYCRDLUSA-N 2 1 379.589 3.735 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000054719172 888034229 /nfs/dbraw/zinc/03/42/29/888034229.db2.gz YSPGIVWSDZCPTG-RBBKRZOGSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@]12CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]1C2(Cl)Cl ZINC000796062857 913216328 /nfs/dbraw/zinc/21/63/28/913216328.db2.gz SAMFXRNWTGUDED-MOPGFXCFSA-N 2 1 382.379 3.714 20 0 GHADMP C[C@]12CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C[C@H]1C2(Cl)Cl ZINC000796062857 913216342 /nfs/dbraw/zinc/21/63/42/913216342.db2.gz SAMFXRNWTGUDED-MOPGFXCFSA-N 2 1 382.379 3.714 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC001132137634 888283943 /nfs/dbraw/zinc/28/39/43/888283943.db2.gz MRFRKDHGJMJCSK-GMKZXUHWSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001132137634 888283962 /nfs/dbraw/zinc/28/39/62/888283962.db2.gz MRFRKDHGJMJCSK-GMKZXUHWSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001132137634 888283975 /nfs/dbraw/zinc/28/39/75/888283975.db2.gz MRFRKDHGJMJCSK-GMKZXUHWSA-N 2 1 397.607 3.914 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc(Br)c1O ZINC000459376842 888408418 /nfs/dbraw/zinc/40/84/18/888408418.db2.gz NVHWURJYNPTBNE-HIFRSBDPSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc(Br)c1O ZINC000459376842 888408427 /nfs/dbraw/zinc/40/84/27/888408427.db2.gz NVHWURJYNPTBNE-HIFRSBDPSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc(Br)c1O ZINC000459376842 888408436 /nfs/dbraw/zinc/40/84/36/888408436.db2.gz NVHWURJYNPTBNE-HIFRSBDPSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc(Br)c1O ZINC000459376842 888408446 /nfs/dbraw/zinc/40/84/46/888408446.db2.gz NVHWURJYNPTBNE-HIFRSBDPSA-N 2 1 385.346 3.858 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000465517239 888531084 /nfs/dbraw/zinc/53/10/84/888531084.db2.gz BZXVQQLKFXUVBX-NNLJWKLDSA-N 2 1 398.595 3.543 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000916004147 888622346 /nfs/dbraw/zinc/62/23/46/888622346.db2.gz PCXZDBOYLBBWEQ-NQIIRXRSSA-N 2 1 388.625 3.509 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=S)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000916004147 888622358 /nfs/dbraw/zinc/62/23/58/888622358.db2.gz PCXZDBOYLBBWEQ-NQIIRXRSSA-N 2 1 388.625 3.509 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=S)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000916004147 888622363 /nfs/dbraw/zinc/62/23/63/888622363.db2.gz PCXZDBOYLBBWEQ-NQIIRXRSSA-N 2 1 388.625 3.509 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCC[NH+](C)C2CC2)cc1 ZINC000454307729 888810298 /nfs/dbraw/zinc/81/02/98/888810298.db2.gz IPKIWHBUFREVRT-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000454307729 888810311 /nfs/dbraw/zinc/81/03/11/888810311.db2.gz IPKIWHBUFREVRT-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000454307729 888810322 /nfs/dbraw/zinc/81/03/22/888810322.db2.gz IPKIWHBUFREVRT-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000123353567 888838572 /nfs/dbraw/zinc/83/85/72/888838572.db2.gz BOGNINWDWWTAAT-WTOYTKOKSA-N 2 1 395.551 3.898 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000123353567 888838588 /nfs/dbraw/zinc/83/85/88/888838588.db2.gz BOGNINWDWWTAAT-WTOYTKOKSA-N 2 1 395.551 3.898 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866548137 888928383 /nfs/dbraw/zinc/92/83/83/888928383.db2.gz KNPFSHSTEPNQIX-CWJKEVGVSA-N 2 1 387.568 3.790 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000496652314 888979459 /nfs/dbraw/zinc/97/94/59/888979459.db2.gz RXTRBFLHDKDBKB-NOTZXAQLSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000532827567 889026047 /nfs/dbraw/zinc/02/60/47/889026047.db2.gz GEFDRNQQPVSUJG-QGZVFWFLSA-N 2 1 379.932 3.571 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@H](C)C1 ZINC000123522622 889318630 /nfs/dbraw/zinc/31/86/30/889318630.db2.gz PGUVWGUREGVMDC-XMSQKQJNSA-N 2 1 384.568 3.716 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@@H]1c1cccs1 ZINC000868185122 889341485 /nfs/dbraw/zinc/34/14/85/889341485.db2.gz MTWIMUXEWMFYKE-MJKGWSOKSA-N 2 1 384.549 3.767 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000124369097 889608515 /nfs/dbraw/zinc/60/85/15/889608515.db2.gz LYVSMOLFTFFRSE-MJGOQNOKSA-N 2 1 383.540 3.519 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000124369097 889608525 /nfs/dbraw/zinc/60/85/25/889608525.db2.gz LYVSMOLFTFFRSE-MJGOQNOKSA-N 2 1 383.540 3.519 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)C2 ZINC001168516711 889677999 /nfs/dbraw/zinc/67/79/99/889677999.db2.gz ARRQCBRTPXXMFS-IBEHDNSVSA-N 2 1 391.478 3.532 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)[C@H]1c1cccs1 ZINC000644573949 913374434 /nfs/dbraw/zinc/37/44/34/913374434.db2.gz BDGLXVOPHDQKCK-QRWLVFNGSA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2F)[C@H]1c1cccs1 ZINC000644573949 913374446 /nfs/dbraw/zinc/37/44/46/913374446.db2.gz BDGLXVOPHDQKCK-QRWLVFNGSA-N 2 1 375.513 3.889 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000125000996 889841557 /nfs/dbraw/zinc/84/15/57/889841557.db2.gz QHLCSRGDCZCVTQ-WOJBJXKFSA-N 2 1 395.547 3.629 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000455073238 890299482 /nfs/dbraw/zinc/29/94/82/890299482.db2.gz GUHSMMPAUNNUIA-GHTZIAJQSA-N 2 1 390.572 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000533407181 890470667 /nfs/dbraw/zinc/47/06/67/890470667.db2.gz PYKJBCDMADKTGI-UHFFFAOYSA-N 2 1 382.346 3.582 20 0 GHADMP O=C(CCC12CC(C1)C[NH2+]2)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000870884154 890561093 /nfs/dbraw/zinc/56/10/93/890561093.db2.gz QZUPIICFIHAXKN-UHFFFAOYSA-N 2 1 396.362 3.606 20 0 GHADMP Cc1cc(F)ccc1[C@@H](O)C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000747821202 890988774 /nfs/dbraw/zinc/98/87/74/890988774.db2.gz RXJCVRZKCJBINF-IXFSTUDKSA-N 2 1 386.511 3.567 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4ccc(Br)cc4o3)C2)CC1 ZINC000812842536 891030517 /nfs/dbraw/zinc/03/05/17/891030517.db2.gz KXIPAAQVYBXQSH-UHFFFAOYSA-N 2 1 378.314 3.898 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812855495 891050013 /nfs/dbraw/zinc/05/00/13/891050013.db2.gz FSCOZPUVUPQROH-NRFANRHFSA-N 2 1 379.520 3.558 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000455561795 891217600 /nfs/dbraw/zinc/21/76/00/891217600.db2.gz NKDDEBUNOGVEBV-PZJWPPBQSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1ccc(-c2nn(C[N@H+](CC(C)C)CC3CC[NH+](C)CC3)c(=O)cc2C)cc1 ZINC000872743679 891319929 /nfs/dbraw/zinc/31/99/29/891319929.db2.gz HCAYZNBQDNIBJX-UHFFFAOYSA-N 2 1 396.579 3.784 20 0 GHADMP Cc1ccc(-c2nn(C[N@@H+](CC(C)C)CC3CC[NH+](C)CC3)c(=O)cc2C)cc1 ZINC000872743679 891319947 /nfs/dbraw/zinc/31/99/47/891319947.db2.gz HCAYZNBQDNIBJX-UHFFFAOYSA-N 2 1 396.579 3.784 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261775014 892108032 /nfs/dbraw/zinc/10/80/32/892108032.db2.gz GYYJXXFUQYIQGS-HOCLYGCPSA-N 2 1 391.968 3.635 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CCCC1)c1ccccc1 ZINC000497688229 892204047 /nfs/dbraw/zinc/20/40/47/892204047.db2.gz SDKPAXAEUWENPB-BVSLBCMMSA-N 2 1 398.595 3.776 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000666843204 892575255 /nfs/dbraw/zinc/57/52/55/892575255.db2.gz ZBMTXKUIBIXQJE-UHFFFAOYSA-N 2 1 389.503 3.980 20 0 GHADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497905883 892700994 /nfs/dbraw/zinc/70/09/94/892700994.db2.gz AUTDOUPEHQZMEA-RDTXWAMCSA-N 2 1 385.474 3.502 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000508709214 892801135 /nfs/dbraw/zinc/80/11/35/892801135.db2.gz GQOPFFKNXBISKH-DPLHUUCSSA-N 2 1 377.576 3.933 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CC1 ZINC000455627416 892822411 /nfs/dbraw/zinc/82/24/11/892822411.db2.gz ZWGBMPHIDHHZMI-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000455627416 892822428 /nfs/dbraw/zinc/82/24/28/892822428.db2.gz ZWGBMPHIDHHZMI-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000455627416 892822443 /nfs/dbraw/zinc/82/24/43/892822443.db2.gz ZWGBMPHIDHHZMI-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674163 893048954 /nfs/dbraw/zinc/04/89/54/893048954.db2.gz NTLBGKYOHPWGBT-WOJBJXKFSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674163 893048977 /nfs/dbraw/zinc/04/89/77/893048977.db2.gz NTLBGKYOHPWGBT-WOJBJXKFSA-N 2 1 390.572 3.941 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000498040882 893051080 /nfs/dbraw/zinc/05/10/80/893051080.db2.gz FYHJPBREOJBOJQ-QUCCMNQESA-N 2 1 392.613 3.648 20 0 GHADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000876719749 893300854 /nfs/dbraw/zinc/30/08/54/893300854.db2.gz UIFFUYMHPVWYII-NQIIRXRSSA-N 2 1 395.551 3.743 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)[C@@H](C)C1 ZINC000459405569 893438724 /nfs/dbraw/zinc/43/87/24/893438724.db2.gz BISLBMGSUXJPNT-YJBOKZPZSA-N 2 1 384.948 3.671 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)[C@@H](C)C1 ZINC000459405569 893438733 /nfs/dbraw/zinc/43/87/33/893438733.db2.gz BISLBMGSUXJPNT-YJBOKZPZSA-N 2 1 384.948 3.671 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877041739 893454605 /nfs/dbraw/zinc/45/46/05/893454605.db2.gz NCVWNDPKCFSCCC-IFMALSPDSA-N 2 1 385.552 3.954 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877041739 893454612 /nfs/dbraw/zinc/45/46/12/893454612.db2.gz NCVWNDPKCFSCCC-IFMALSPDSA-N 2 1 385.552 3.954 20 0 GHADMP CC1(C)CN([C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000459411019 893472262 /nfs/dbraw/zinc/47/22/62/893472262.db2.gz PXGOUFJBVDLEKO-OAQYLSRUSA-N 2 1 391.987 3.708 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000877137271 893504947 /nfs/dbraw/zinc/50/49/47/893504947.db2.gz RQJLTRNXQCDDHE-JRGCBEDISA-N 2 1 378.520 3.947 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc(Br)c1O ZINC000459429746 893515124 /nfs/dbraw/zinc/51/51/24/893515124.db2.gz PHJBQGNSPJIZCQ-CQSZACIVSA-N 2 1 385.346 3.763 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc(Br)c1O ZINC000459429746 893515144 /nfs/dbraw/zinc/51/51/44/893515144.db2.gz PHJBQGNSPJIZCQ-CQSZACIVSA-N 2 1 385.346 3.763 20 0 GHADMP C[C@H](c1cccnc1)[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000536677008 893521059 /nfs/dbraw/zinc/52/10/59/893521059.db2.gz WALSHYCOKUZWMP-OAQYLSRUSA-N 2 1 380.580 3.918 20 0 GHADMP C[C@H](c1cccnc1)[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000536677008 893521077 /nfs/dbraw/zinc/52/10/77/893521077.db2.gz WALSHYCOKUZWMP-OAQYLSRUSA-N 2 1 380.580 3.918 20 0 GHADMP c1csc(C[C@H]2CC[NH+](CCCC[N@H+]3CC[C@@H](Cc4nccs4)C3)C2)n1 ZINC000934334901 893553752 /nfs/dbraw/zinc/55/37/52/893553752.db2.gz YSNXNTVCVISSFG-HDICACEKSA-N 2 1 390.622 3.809 20 0 GHADMP c1csc(C[C@H]2CC[N@@H+](CCCC[NH+]3CC[C@@H](Cc4nccs4)C3)C2)n1 ZINC000934334901 893553768 /nfs/dbraw/zinc/55/37/68/893553768.db2.gz YSNXNTVCVISSFG-HDICACEKSA-N 2 1 390.622 3.809 20 0 GHADMP c1csc(C[C@H]2CC[N@H+](CCCC[NH+]3CC[C@@H](Cc4nccs4)C3)C2)n1 ZINC000934334901 893553784 /nfs/dbraw/zinc/55/37/84/893553784.db2.gz YSNXNTVCVISSFG-HDICACEKSA-N 2 1 390.622 3.809 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000536695844 893562910 /nfs/dbraw/zinc/56/29/10/893562910.db2.gz AVZXXWDGWUMZEY-HSZRJFAPSA-N 2 1 398.595 3.789 20 0 GHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000536829940 893939668 /nfs/dbraw/zinc/93/96/68/893939668.db2.gz AIKDZZWGWQACGT-TZIWHRDSSA-N 2 1 389.584 3.562 20 0 GHADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000536829940 893939671 /nfs/dbraw/zinc/93/96/71/893939671.db2.gz AIKDZZWGWQACGT-TZIWHRDSSA-N 2 1 389.584 3.562 20 0 GHADMP O=C(C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000459752649 894147316 /nfs/dbraw/zinc/14/73/16/894147316.db2.gz QVUXLZRFVBFNRH-HSZRJFAPSA-N 2 1 381.564 3.737 20 0 GHADMP O=C(C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000459752649 894147324 /nfs/dbraw/zinc/14/73/24/894147324.db2.gz QVUXLZRFVBFNRH-HSZRJFAPSA-N 2 1 381.564 3.737 20 0 GHADMP CN(C(=O)c1oc2ccccc2c1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563803086 894208098 /nfs/dbraw/zinc/20/80/98/894208098.db2.gz PGCDWZHYCPTWRP-IBGZPJMESA-N 2 1 391.515 3.841 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)C(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000878445386 894297952 /nfs/dbraw/zinc/29/79/52/894297952.db2.gz GIIUOWAMPFLFCT-LMMKCTJWSA-N 2 1 395.975 3.702 20 0 GHADMP O[C@@H]1CC[NH+](CC(C[N@@H+]2CC[C@@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722372 894536020 /nfs/dbraw/zinc/53/60/20/894536020.db2.gz FSTCTIAQLCPISK-FGZHOGPDSA-N 2 1 390.612 3.552 20 0 GHADMP Cn1c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2oc1=O ZINC000816567902 894948822 /nfs/dbraw/zinc/94/88/22/894948822.db2.gz OZBMVNNLNMDZQX-PCCBWWKXSA-N 2 1 391.515 3.522 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001135717281 895161812 /nfs/dbraw/zinc/16/18/12/895161812.db2.gz KLZKRVMZPLOVBY-QFIPXVFZSA-N 2 1 383.580 3.671 20 0 GHADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000564939500 895315647 /nfs/dbraw/zinc/31/56/47/895315647.db2.gz CEVBJLGARRVELL-UYAOXDASSA-N 2 1 398.378 3.982 20 0 GHADMP CC(C)CCn1cccc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000565134240 895415323 /nfs/dbraw/zinc/41/53/23/895415323.db2.gz FHGNOHMAYYOHEA-NHCUHLMSSA-N 2 1 391.600 3.624 20 0 GHADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001135866769 895435212 /nfs/dbraw/zinc/43/52/12/895435212.db2.gz ZHBHGCHDAKOFNQ-XZOQPEGZSA-N 2 1 383.580 3.527 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C(C)C)c4ccccc43)CC2)CC1 ZINC000565200896 895457752 /nfs/dbraw/zinc/45/77/52/895457752.db2.gz ZDWUSKYSELCCFO-JOCHJYFZSA-N 2 1 383.580 3.969 20 0 GHADMP CCCC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023696841 895493757 /nfs/dbraw/zinc/49/37/57/895493757.db2.gz FVLZORPDWYPERY-UHFFFAOYSA-N 2 1 394.563 3.679 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(C)cs4)CC3)C2)c1 ZINC001137154759 895724475 /nfs/dbraw/zinc/72/44/75/895724475.db2.gz SHFFWXKPGXRVAF-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)cs4)CC3)C2)c1 ZINC001137154759 895724492 /nfs/dbraw/zinc/72/44/92/895724492.db2.gz SHFFWXKPGXRVAF-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=S)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000817565129 895736372 /nfs/dbraw/zinc/73/63/72/895736372.db2.gz BORBGTAHXHLBJP-UHFFFAOYSA-N 2 1 380.989 3.529 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=S)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000817565129 895736386 /nfs/dbraw/zinc/73/63/86/895736386.db2.gz BORBGTAHXHLBJP-UHFFFAOYSA-N 2 1 380.989 3.529 20 0 GHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000565709209 895826322 /nfs/dbraw/zinc/82/63/22/895826322.db2.gz SANNEQVDQQJCIL-LLBVYWAGSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000565709209 895826324 /nfs/dbraw/zinc/82/63/24/895826324.db2.gz SANNEQVDQQJCIL-LLBVYWAGSA-N 2 1 388.502 3.759 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565712707 895828804 /nfs/dbraw/zinc/82/88/04/895828804.db2.gz ARGHXQXDGUQEDD-PKOBYXMFSA-N 2 1 397.485 3.647 20 0 GHADMP CC[C@@H](C)Oc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000565726522 895835345 /nfs/dbraw/zinc/83/53/45/895835345.db2.gz ZITFDRHOJBLTJJ-GOSISDBHSA-N 2 1 387.568 3.999 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1Cl ZINC001136033085 895933478 /nfs/dbraw/zinc/93/34/78/895933478.db2.gz BOLHIXWHSVHARY-FXAWDEMLSA-N 2 1 379.976 3.960 20 0 GHADMP C[C@]1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000817926952 895949345 /nfs/dbraw/zinc/94/93/45/895949345.db2.gz AHRYNABLVSUTGA-ICDZXHCJSA-N 3 1 391.559 3.744 20 0 GHADMP C[C@]1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000817926952 895949365 /nfs/dbraw/zinc/94/93/65/895949365.db2.gz AHRYNABLVSUTGA-ICDZXHCJSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@]1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000817926952 895949376 /nfs/dbraw/zinc/94/93/76/895949376.db2.gz AHRYNABLVSUTGA-ICDZXHCJSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@]1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCN(Cc2ccccc2)C1 ZINC000817926952 895949393 /nfs/dbraw/zinc/94/93/93/895949393.db2.gz AHRYNABLVSUTGA-ICDZXHCJSA-N 2 1 391.559 3.744 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000565884747 895957440 /nfs/dbraw/zinc/95/74/40/895957440.db2.gz LAUZCTNMVXFZAM-LJQANCHMSA-N 2 1 376.541 3.671 20 0 GHADMP CC(C)(C)OC(=O)C1([NH2+][C@H]2CCc3cccc(Cl)c3C2)CCC([NH3+])CC1 ZINC001170898951 896109010 /nfs/dbraw/zinc/10/90/10/896109010.db2.gz ZVCLCAWVPCTHLL-TZQQIIETSA-N 2 1 378.944 3.769 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)nc1)CC2 ZINC001137164049 896179430 /nfs/dbraw/zinc/17/94/30/896179430.db2.gz GNFARFXZPACNIU-KRWDZBQOSA-N 2 1 375.900 3.584 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(C)CCC(C)(C)CC3)CC2)CC1 ZINC000566467900 896327861 /nfs/dbraw/zinc/32/78/61/896327861.db2.gz YDGQVNZKMDSYSG-UHFFFAOYSA-N 2 1 377.617 3.905 20 0 GHADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000819326689 896570866 /nfs/dbraw/zinc/57/08/66/896570866.db2.gz UMOOVFMYXIIUHK-NHYNNZIHSA-N 2 1 382.523 3.904 20 0 GHADMP [NH3+]C1(c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)CCCCC1 ZINC000566909255 896689202 /nfs/dbraw/zinc/68/92/02/896689202.db2.gz OMLNYEAOLLYRTR-INIZCTEOSA-N 2 1 376.451 3.813 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4sc(Cl)cc43)CC2)CC1 ZINC000567059574 896839340 /nfs/dbraw/zinc/83/93/40/896839340.db2.gz ANFILLXNGLYPLJ-KRWDZBQOSA-N 2 1 396.000 3.701 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000567091470 896866710 /nfs/dbraw/zinc/86/67/10/896866710.db2.gz YRJPZVFYYSDNMH-HXUWFJFHSA-N 2 1 387.959 3.516 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c4c(nn3C)CCSC4)cc2)C1 ZINC000882890382 897077962 /nfs/dbraw/zinc/07/79/62/897077962.db2.gz WMBYPMKXOCHPOI-QGZVFWFLSA-N 2 1 384.593 3.731 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000130718200 897198388 /nfs/dbraw/zinc/19/83/88/897198388.db2.gz SMKIHPMISWSKLA-SFHVURJKSA-N 2 1 383.540 3.531 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000130718200 897198404 /nfs/dbraw/zinc/19/84/04/897198404.db2.gz SMKIHPMISWSKLA-SFHVURJKSA-N 2 1 383.540 3.531 20 0 GHADMP Cn1nc2c(c1CNc1ccc([NH+]3CCC(C[NH+](C)C)CC3)cc1)CSCC2 ZINC000883067378 897246390 /nfs/dbraw/zinc/24/63/90/897246390.db2.gz GEFHETTYPLMUKF-UHFFFAOYSA-N 2 1 399.608 3.600 20 0 GHADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000567695679 897342680 /nfs/dbraw/zinc/34/26/80/897342680.db2.gz WGKYEVXNMPBNBR-HXUWFJFHSA-N 2 1 392.507 3.556 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000567695679 897342684 /nfs/dbraw/zinc/34/26/84/897342684.db2.gz WGKYEVXNMPBNBR-HXUWFJFHSA-N 2 1 392.507 3.556 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000567836411 897434838 /nfs/dbraw/zinc/43/48/38/897434838.db2.gz YUPIGJWQHPAILB-MXVIHJGJSA-N 2 1 379.548 3.814 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000883281650 897442286 /nfs/dbraw/zinc/44/22/86/897442286.db2.gz UADIQRLPHQAXMF-NRFANRHFSA-N 2 1 390.531 3.503 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000883281650 897442292 /nfs/dbraw/zinc/44/22/92/897442292.db2.gz UADIQRLPHQAXMF-NRFANRHFSA-N 2 1 390.531 3.503 20 0 GHADMP FC(F)(F)CC[NH+]1CCC(Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000883346923 897518259 /nfs/dbraw/zinc/51/82/59/897518259.db2.gz JLUITMVBAXTRDC-HXUWFJFHSA-N 2 1 396.501 3.800 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)CC1 ZINC000568690257 898037571 /nfs/dbraw/zinc/03/75/71/898037571.db2.gz KTQKBRVXPSAVPP-UHFFFAOYSA-N 2 1 383.580 3.720 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccccc2)c1 ZINC001136541523 898213636 /nfs/dbraw/zinc/21/36/36/898213636.db2.gz FBICNGVTUKKVMR-NRFANRHFSA-N 2 1 395.547 3.967 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282864538 898375087 /nfs/dbraw/zinc/37/50/87/898375087.db2.gz VSWHZNKIGCNZGJ-NRFANRHFSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282864538 898375102 /nfs/dbraw/zinc/37/51/02/898375102.db2.gz VSWHZNKIGCNZGJ-NRFANRHFSA-N 2 1 397.567 3.524 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000109788752 898592186 /nfs/dbraw/zinc/59/21/86/898592186.db2.gz BPQPZNIHPSJIMC-UHFFFAOYSA-N 2 1 397.567 3.624 20 0 GHADMP C[NH+](C)[C@H](c1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1)c1ccccc1 ZINC000823402281 899012238 /nfs/dbraw/zinc/01/22/38/899012238.db2.gz USHHECXOEKBIPY-FQEVSTJZSA-N 2 1 396.466 3.658 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000569915875 899023614 /nfs/dbraw/zinc/02/36/14/899023614.db2.gz NNSJNQFUCPSXMY-RPWUZVMVSA-N 2 1 396.575 3.935 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000331692896 899085851 /nfs/dbraw/zinc/08/58/51/899085851.db2.gz BVEFZQXZENDCPC-CXAGYDPISA-N 2 1 380.330 3.663 20 0 GHADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000570394659 899301312 /nfs/dbraw/zinc/30/13/12/899301312.db2.gz HHLJMLDLOMZTQC-JOCHJYFZSA-N 2 1 377.532 3.510 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCCN1Cc1ccccc1 ZINC001136832226 899441129 /nfs/dbraw/zinc/44/11/29/899441129.db2.gz FAZSPDRZQLEAMJ-BJKOFHAPSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001136832226 899441139 /nfs/dbraw/zinc/44/11/39/899441139.db2.gz FAZSPDRZQLEAMJ-BJKOFHAPSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001136832226 899441145 /nfs/dbraw/zinc/44/11/45/899441145.db2.gz FAZSPDRZQLEAMJ-BJKOFHAPSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001136832226 899441152 /nfs/dbraw/zinc/44/11/52/899441152.db2.gz FAZSPDRZQLEAMJ-BJKOFHAPSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001136832226 899441166 /nfs/dbraw/zinc/44/11/66/899441166.db2.gz FAZSPDRZQLEAMJ-BJKOFHAPSA-N 2 1 391.559 3.822 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1 ZINC000570622713 899449605 /nfs/dbraw/zinc/44/96/05/899449605.db2.gz JKYAIKGNJSYWEV-BZDHPDOMSA-N 2 1 395.551 3.613 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1 ZINC000570622713 899449607 /nfs/dbraw/zinc/44/96/07/899449607.db2.gz JKYAIKGNJSYWEV-BZDHPDOMSA-N 2 1 395.551 3.613 20 0 GHADMP Clc1cccc2[nH]c(C[N@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc21 ZINC001136859446 899539327 /nfs/dbraw/zinc/53/93/27/899539327.db2.gz NRNIAVKCOCCXDF-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP Clc1cccc2[nH]c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc21 ZINC001136859446 899539333 /nfs/dbraw/zinc/53/93/33/899539333.db2.gz NRNIAVKCOCCXDF-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000824383933 899576327 /nfs/dbraw/zinc/57/63/27/899576327.db2.gz WNOHEVMEUMSUNC-OALUTQOASA-N 2 1 385.552 3.551 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000824389994 899579300 /nfs/dbraw/zinc/57/93/00/899579300.db2.gz YIGVJRWXFIRLKU-WSTZPKSXSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000571109635 899743280 /nfs/dbraw/zinc/74/32/80/899743280.db2.gz JYPZNGZPQBDRJP-QMMLZNLJSA-N 2 1 378.582 3.506 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC000824667318 899752863 /nfs/dbraw/zinc/75/28/63/899752863.db2.gz WJJNMDKZIZKMDK-IBGZPJMESA-N 2 1 393.547 3.726 20 0 GHADMP C[C@H]1CCCC[C@@H]1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824936686 899896315 /nfs/dbraw/zinc/89/63/15/899896315.db2.gz LFWHDEGWLVOAHC-PKOBYXMFSA-N 2 1 382.556 3.637 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000333023129 899899638 /nfs/dbraw/zinc/89/96/38/899899638.db2.gz JWFTUHMTKFJYAJ-RTWAWAEBSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000333023129 899899648 /nfs/dbraw/zinc/89/96/48/899899648.db2.gz JWFTUHMTKFJYAJ-RTWAWAEBSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000333023129 899899657 /nfs/dbraw/zinc/89/96/57/899899657.db2.gz JWFTUHMTKFJYAJ-RTWAWAEBSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000333023129 899899667 /nfs/dbraw/zinc/89/96/67/899899667.db2.gz JWFTUHMTKFJYAJ-RTWAWAEBSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000333023130 899899775 /nfs/dbraw/zinc/89/97/75/899899775.db2.gz JWFTUHMTKFJYAJ-SFTDATJTSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000333023130 899899784 /nfs/dbraw/zinc/89/97/84/899899784.db2.gz JWFTUHMTKFJYAJ-SFTDATJTSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000333023130 899899796 /nfs/dbraw/zinc/89/97/96/899899796.db2.gz JWFTUHMTKFJYAJ-SFTDATJTSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000333023130 899899805 /nfs/dbraw/zinc/89/98/05/899899805.db2.gz JWFTUHMTKFJYAJ-SFTDATJTSA-N 2 1 398.551 3.922 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571924027 900009238 /nfs/dbraw/zinc/00/92/38/900009238.db2.gz HZQPEPUFPNBLMC-PMACEKPBSA-N 2 1 398.595 3.776 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571924027 900009249 /nfs/dbraw/zinc/00/92/49/900009249.db2.gz HZQPEPUFPNBLMC-PMACEKPBSA-N 2 1 398.595 3.776 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)cc1 ZINC000825305280 900083409 /nfs/dbraw/zinc/08/34/09/900083409.db2.gz GZYTWVKUOCSOIX-IBGZPJMESA-N 2 1 377.326 3.676 20 0 GHADMP CC[C@H](c1ccncc1)N(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572376012 900162961 /nfs/dbraw/zinc/16/29/61/900162961.db2.gz AOEGFQRSHOCNSM-JOCHJYFZSA-N 2 1 386.584 3.578 20 0 GHADMP Fc1ccc(OCc2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000572763094 900270685 /nfs/dbraw/zinc/27/06/85/900270685.db2.gz OOYMVZSUXYZHAM-INIZCTEOSA-N 2 1 375.513 3.683 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000289950453 914445549 /nfs/dbraw/zinc/44/55/49/914445549.db2.gz PENFWKNOJWLRJP-ICSRJNTNSA-N 2 1 388.552 3.812 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000289950453 914445557 /nfs/dbraw/zinc/44/55/57/914445557.db2.gz PENFWKNOJWLRJP-ICSRJNTNSA-N 2 1 388.552 3.812 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289950453 914445563 /nfs/dbraw/zinc/44/55/63/914445563.db2.gz PENFWKNOJWLRJP-ICSRJNTNSA-N 2 1 388.552 3.812 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399744 900796465 /nfs/dbraw/zinc/79/64/65/900796465.db2.gz GDQNXWATPNHOMJ-MJGOQNOKSA-N 2 1 378.561 3.987 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399744 900796470 /nfs/dbraw/zinc/79/64/70/900796470.db2.gz GDQNXWATPNHOMJ-MJGOQNOKSA-N 2 1 378.561 3.987 20 0 GHADMP Clc1ccc2c(c1)CC[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001171123161 900823272 /nfs/dbraw/zinc/82/32/72/900823272.db2.gz STQRRIIHKWZEPL-NRFANRHFSA-N 2 1 398.982 3.938 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)c3ccc(C)cc3)CC2)CC1 ZINC000574528749 900916280 /nfs/dbraw/zinc/91/62/80/900916280.db2.gz MVKCCSNLDOZSPQ-UHFFFAOYSA-N 2 1 385.596 3.585 20 0 GHADMP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)O2)[C@H]1C ZINC000886335537 900939265 /nfs/dbraw/zinc/93/92/65/900939265.db2.gz DMNKSEQJJAVMFN-ADDNNTKRSA-N 2 1 384.564 3.746 20 0 GHADMP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)O2)[C@H]1C ZINC000886335537 900939272 /nfs/dbraw/zinc/93/92/72/900939272.db2.gz DMNKSEQJJAVMFN-ADDNNTKRSA-N 2 1 384.564 3.746 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c(OC)c1OC ZINC000886506354 901095327 /nfs/dbraw/zinc/09/53/27/901095327.db2.gz NNXRKZHOKGOUSG-TYPHKJRUSA-N 2 1 396.531 3.855 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c(OC)c1OC ZINC000886506354 901095336 /nfs/dbraw/zinc/09/53/36/901095336.db2.gz NNXRKZHOKGOUSG-TYPHKJRUSA-N 2 1 396.531 3.855 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc2c(c1)CC(=O)N2C ZINC000886523162 901119126 /nfs/dbraw/zinc/11/91/26/901119126.db2.gz XXWXIWGTQIMTGC-UJFGGOPNSA-N 2 1 389.543 3.909 20 0 GHADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661471 901212674 /nfs/dbraw/zinc/21/26/74/901212674.db2.gz VQJXTCBPGMGOSJ-UHFFFAOYSA-N 2 1 382.508 3.827 20 0 GHADMP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000575375986 901220981 /nfs/dbraw/zinc/22/09/81/901220981.db2.gz HIOWLQUEZDDWGW-YADHBBJMSA-N 2 1 383.580 3.799 20 0 GHADMP C([C@@H](C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815277 901283725 /nfs/dbraw/zinc/28/37/25/901283725.db2.gz APHKQPMRAVUUBZ-QVSSQLJNSA-N 2 1 390.612 3.795 20 0 GHADMP C([C@H](C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815277 901283741 /nfs/dbraw/zinc/28/37/41/901283741.db2.gz APHKQPMRAVUUBZ-QVSSQLJNSA-N 2 1 390.612 3.795 20 0 GHADMP C([C@H](C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815277 901283757 /nfs/dbraw/zinc/28/37/57/901283757.db2.gz APHKQPMRAVUUBZ-QVSSQLJNSA-N 2 1 390.612 3.795 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000575768364 901286222 /nfs/dbraw/zinc/28/62/22/901286222.db2.gz UCCIAMHNIOSOGH-WOJBJXKFSA-N 2 1 383.502 3.959 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]([C@@H]3CCCO3)C2)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822736 901288029 /nfs/dbraw/zinc/28/80/29/901288029.db2.gz ULPPVDYDBQGOPR-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886822736 901288041 /nfs/dbraw/zinc/28/80/41/901288041.db2.gz ULPPVDYDBQGOPR-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886822736 901288052 /nfs/dbraw/zinc/28/80/52/901288052.db2.gz ULPPVDYDBQGOPR-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886827703 901289270 /nfs/dbraw/zinc/28/92/70/901289270.db2.gz QCBVXZHUVVSFKW-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886827703 901289288 /nfs/dbraw/zinc/28/92/88/901289288.db2.gz QCBVXZHUVVSFKW-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886827703 901289306 /nfs/dbraw/zinc/28/93/06/901289306.db2.gz QCBVXZHUVVSFKW-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576000505 901570440 /nfs/dbraw/zinc/57/04/40/901570440.db2.gz CIFCERACIBFRFP-NZQKXSOJSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(CO)c1 ZINC000121663049 901654236 /nfs/dbraw/zinc/65/42/36/901654236.db2.gz ZNJDBMGYWUDQHV-IBGZPJMESA-N 2 1 398.547 3.519 20 0 GHADMP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171159741 901749231 /nfs/dbraw/zinc/74/92/31/901749231.db2.gz ZGBNDRWDMMOBRF-GOSISDBHSA-N 2 1 384.395 3.810 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001144343797 901840910 /nfs/dbraw/zinc/84/09/10/901840910.db2.gz SPTIGOUDHWYVLO-VQTJNVASSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001144343797 901840923 /nfs/dbraw/zinc/84/09/23/901840923.db2.gz SPTIGOUDHWYVLO-VQTJNVASSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001144343797 901840926 /nfs/dbraw/zinc/84/09/26/901840926.db2.gz SPTIGOUDHWYVLO-VQTJNVASSA-N 2 1 381.520 3.535 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001202748507 901922065 /nfs/dbraw/zinc/92/20/65/901922065.db2.gz BIERAZUIKNVHHV-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP Clc1cc2c(cc1Cl)C[C@H]([NH+]1CCN(CC[NH+]3CCCC3)CC1)CC2 ZINC001171171888 901951734 /nfs/dbraw/zinc/95/17/34/901951734.db2.gz JQDLZQLOGGTRQQ-GOSISDBHSA-N 2 1 382.379 3.564 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000576584465 902109700 /nfs/dbraw/zinc/10/97/00/902109700.db2.gz PEKMCJQTQXMDPG-FCHUYYIVSA-N 2 1 380.532 3.558 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000576584465 902109708 /nfs/dbraw/zinc/10/97/08/902109708.db2.gz PEKMCJQTQXMDPG-FCHUYYIVSA-N 2 1 380.532 3.558 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001144447735 902205991 /nfs/dbraw/zinc/20/59/91/902205991.db2.gz OGHBGHRENOQVBV-UHFFFAOYSA-N 2 1 384.495 3.956 20 0 GHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000290294915 914614412 /nfs/dbraw/zinc/61/44/12/914614412.db2.gz DLYYHYMHMOSOHG-NRFANRHFSA-N 2 1 382.552 3.692 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000290294915 914614419 /nfs/dbraw/zinc/61/44/19/914614419.db2.gz DLYYHYMHMOSOHG-NRFANRHFSA-N 2 1 382.552 3.692 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000646533939 914623895 /nfs/dbraw/zinc/62/38/95/914623895.db2.gz WMZGFRYSVHUDIN-MJGOQNOKSA-N 2 1 390.597 3.869 20 0 GHADMP Cn1nnc2cc(C[NH+]3CCC4(CC[N@@H+](Cc5cccs5)C4)CC3)ccc21 ZINC001144637953 902550035 /nfs/dbraw/zinc/55/00/35/902550035.db2.gz WDVXIHCKRJOPNQ-UHFFFAOYSA-N 2 1 381.549 3.518 20 0 GHADMP CN(C(=O)Nc1cccc(C2CC2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000577354296 902708794 /nfs/dbraw/zinc/70/87/94/902708794.db2.gz CFSWMZBILPQGRN-SFTDATJTSA-N 2 1 399.583 3.760 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000264039011 902796114 /nfs/dbraw/zinc/79/61/14/902796114.db2.gz JNRAWFJJIOCKCY-UHFFFAOYSA-N 2 1 383.540 3.908 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846227269 902802714 /nfs/dbraw/zinc/80/27/14/902802714.db2.gz LYTCPMCGMMPWSL-DBVUQKKJSA-N 2 1 388.943 3.695 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000577790989 903196708 /nfs/dbraw/zinc/19/67/08/903196708.db2.gz XBTDLWNWJCTBMK-ZWKOTPCHSA-N 2 1 380.602 3.549 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600998819 903206486 /nfs/dbraw/zinc/20/64/86/903206486.db2.gz BAJBKHSPTRNHDV-UGKGYDQZSA-N 2 1 399.966 3.624 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600998819 903206500 /nfs/dbraw/zinc/20/65/00/903206500.db2.gz BAJBKHSPTRNHDV-UGKGYDQZSA-N 2 1 399.966 3.624 20 0 GHADMP C[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000577866585 903286242 /nfs/dbraw/zinc/28/62/42/903286242.db2.gz WAJVHTOEOPFMFH-REWPJTCUSA-N 2 1 391.559 3.837 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+]1CC(C)C1 ZINC000577885448 903308843 /nfs/dbraw/zinc/30/88/43/903308843.db2.gz JZCZZWXUNIMZSC-SZVBFZGTSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+]1CC(C)C1 ZINC000577885448 903308857 /nfs/dbraw/zinc/30/88/57/903308857.db2.gz JZCZZWXUNIMZSC-SZVBFZGTSA-N 2 1 397.485 3.545 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000846967769 903358959 /nfs/dbraw/zinc/35/89/59/903358959.db2.gz FKDIZEYFXCEUNH-LJQANCHMSA-N 2 1 390.572 3.710 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000578139967 903553943 /nfs/dbraw/zinc/55/39/43/903553943.db2.gz SCYOWCAWQXYZBZ-UHFFFAOYSA-N 2 1 384.499 3.875 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001146978158 903652670 /nfs/dbraw/zinc/65/26/70/903652670.db2.gz QTHORAWRBATYCC-KRWDZBQOSA-N 2 1 379.976 3.540 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC001146978158 903652675 /nfs/dbraw/zinc/65/26/75/903652675.db2.gz QTHORAWRBATYCC-KRWDZBQOSA-N 2 1 379.976 3.540 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1C(F)(F)F ZINC000137684203 903873018 /nfs/dbraw/zinc/87/30/18/903873018.db2.gz OSSWVSPUEKWRFE-INIZCTEOSA-N 2 1 383.458 3.842 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C(C)(C)c3ccccc3)CC2)CC1 ZINC000578519934 903929537 /nfs/dbraw/zinc/92/95/37/903929537.db2.gz LHLGCRAIMZSTCN-LJQANCHMSA-N 2 1 385.596 3.665 20 0 GHADMP CO[C@H](C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccc(Cl)cc1 ZINC000283034355 903940178 /nfs/dbraw/zinc/94/01/78/903940178.db2.gz HWKGBZIPQZMVFL-OAQYLSRUSA-N 2 1 379.976 3.518 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171323182 903998801 /nfs/dbraw/zinc/99/88/01/903998801.db2.gz VJODOPMIFXBTTF-GOSISDBHSA-N 2 1 394.003 3.555 20 0 GHADMP C[C@H]1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001148249620 904016461 /nfs/dbraw/zinc/01/64/61/904016461.db2.gz JMYRMGDRSBTWMP-FQEVSTJZSA-N 2 1 379.548 3.527 20 0 GHADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151358636 904113836 /nfs/dbraw/zinc/11/38/36/904113836.db2.gz SIHOZBAVDWWYBB-AWEZNQCLSA-N 2 1 377.529 3.755 20 0 GHADMP COc1ccc(CC2([NH3+])CC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)CC2)cc1 ZINC001171356868 904348596 /nfs/dbraw/zinc/34/85/96/904348596.db2.gz DZLGONWSIFGGDM-IBGZPJMESA-N 2 1 386.486 3.867 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370332 904368630 /nfs/dbraw/zinc/36/86/30/904368630.db2.gz JRJWXTTXNRIKRG-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370332 904368645 /nfs/dbraw/zinc/36/86/45/904368645.db2.gz JRJWXTTXNRIKRG-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370332 904368649 /nfs/dbraw/zinc/36/86/49/904368649.db2.gz JRJWXTTXNRIKRG-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370332 904368663 /nfs/dbraw/zinc/36/86/63/904368663.db2.gz JRJWXTTXNRIKRG-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000773078132 904415166 /nfs/dbraw/zinc/41/51/66/904415166.db2.gz VEAUBARULRYESO-CVEARBPZSA-N 2 1 388.524 3.702 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000773078132 904415174 /nfs/dbraw/zinc/41/51/74/904415174.db2.gz VEAUBARULRYESO-CVEARBPZSA-N 2 1 388.524 3.702 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC001171380663 904422170 /nfs/dbraw/zinc/42/21/70/904422170.db2.gz BWHLXBMEKAKKMJ-MBOZVWFJSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC001171380663 904422172 /nfs/dbraw/zinc/42/21/72/904422172.db2.gz BWHLXBMEKAKKMJ-MBOZVWFJSA-N 2 1 377.960 3.714 20 0 GHADMP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171388561 904455629 /nfs/dbraw/zinc/45/56/29/904455629.db2.gz OCAJYSZCZGGAPV-HXUWFJFHSA-N 2 1 379.539 3.562 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000579371732 904550511 /nfs/dbraw/zinc/55/05/11/904550511.db2.gz WFGXLHYAGTUVCG-UHFFFAOYSA-N 2 1 385.596 3.965 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000579465373 904629644 /nfs/dbraw/zinc/62/96/44/904629644.db2.gz VWBDFPADQAIVKU-XLIONFOSSA-N 2 1 388.939 3.895 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(Cc3ccccc3)C(C)C)CC2)CC1 ZINC001171556747 904828011 /nfs/dbraw/zinc/82/80/11/904828011.db2.gz IGNZIAHOUCGRRQ-VWLOTQADSA-N 2 1 399.623 3.956 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000646788878 914852937 /nfs/dbraw/zinc/85/29/37/914852937.db2.gz QFXFHQDFFUQICL-IBGZPJMESA-N 2 1 399.579 3.544 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)C[C@H]3COc4ccccc4O3)cc2)C[C@H](C)O1 ZINC001171636135 904923328 /nfs/dbraw/zinc/92/33/28/904923328.db2.gz LIDPVPVHRJVSHY-JQVVWYNYSA-N 2 1 396.531 3.568 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)C[C@H]3COc4ccccc4O3)cc2)C[C@H](C)O1 ZINC001171636135 904923339 /nfs/dbraw/zinc/92/33/39/904923339.db2.gz LIDPVPVHRJVSHY-JQVVWYNYSA-N 2 1 396.531 3.568 20 0 GHADMP CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]21 ZINC001171635989 904923567 /nfs/dbraw/zinc/92/35/67/904923567.db2.gz BOYDETQZLJLOPW-ACRUOGEOSA-N 2 1 398.595 3.679 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1(C)C ZINC001171638115 904928186 /nfs/dbraw/zinc/92/81/86/904928186.db2.gz RVXDBDSVKNSSJT-GHTZIAJQSA-N 2 1 389.559 3.614 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1(C)C ZINC001171640626 904930074 /nfs/dbraw/zinc/93/00/74/904930074.db2.gz HPSOELSWWPCXAC-SZMVWBNQSA-N 2 1 379.589 3.873 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000779161785 904948644 /nfs/dbraw/zinc/94/86/44/904948644.db2.gz OFOSOTKCDVVNGG-CTNGQTDRSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171737056 905020645 /nfs/dbraw/zinc/02/06/45/905020645.db2.gz AMZUVNNDCKOGSS-OTUUDDROSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171737056 905020665 /nfs/dbraw/zinc/02/06/65/905020665.db2.gz AMZUVNNDCKOGSS-OTUUDDROSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171737056 905020682 /nfs/dbraw/zinc/02/06/82/905020682.db2.gz AMZUVNNDCKOGSS-OTUUDDROSA-N 2 1 378.564 3.817 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+]([C@H]1Cc3cccc(F)c3C1)CC2 ZINC001171800436 905060322 /nfs/dbraw/zinc/06/03/22/905060322.db2.gz VCFPGDWPDQIHHQ-RBUKOAKNSA-N 2 1 384.495 3.641 20 0 GHADMP Fc1cccc2c1C[C@H]([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001171800322 905061131 /nfs/dbraw/zinc/06/11/31/905061131.db2.gz SLRPSYWHUHEGGO-TZBSWOFLSA-N 2 1 398.566 3.753 20 0 GHADMP Fc1cccc2c1C[C@H]([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001171800322 905061148 /nfs/dbraw/zinc/06/11/48/905061148.db2.gz SLRPSYWHUHEGGO-TZBSWOFLSA-N 2 1 398.566 3.753 20 0 GHADMP Fc1cccc2c1C[C@H]([NH+]1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001171800322 905061164 /nfs/dbraw/zinc/06/11/64/905061164.db2.gz SLRPSYWHUHEGGO-TZBSWOFLSA-N 2 1 398.566 3.753 20 0 GHADMP COc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977366 905222245 /nfs/dbraw/zinc/22/22/45/905222245.db2.gz AYGQCCMKZZMFMS-FGZHOGPDSA-N 2 1 382.548 3.631 20 0 GHADMP CC1(C)C[C@@H](N2CCC([NH3+])(Cc3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979195 905228837 /nfs/dbraw/zinc/22/88/37/905228837.db2.gz NWUTZIDEMSSBGK-QHCPKHFHSA-N 2 1 392.591 3.861 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982509 905236199 /nfs/dbraw/zinc/23/61/99/905236199.db2.gz UQEOGPYGIJVJNK-AOHZBQACSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982509 905236214 /nfs/dbraw/zinc/23/62/14/905236214.db2.gz UQEOGPYGIJVJNK-AOHZBQACSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982509 905236228 /nfs/dbraw/zinc/23/62/28/905236228.db2.gz UQEOGPYGIJVJNK-AOHZBQACSA-N 2 1 386.580 3.947 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171984445 905240711 /nfs/dbraw/zinc/24/07/11/905240711.db2.gz VULWMYOYKYNJPO-QFIPXVFZSA-N 2 1 391.559 3.999 20 0 GHADMP O[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061130 905266747 /nfs/dbraw/zinc/26/67/47/905266747.db2.gz FRJFVCPDKXQIRQ-KAOXLYBCSA-N 2 1 380.532 3.602 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071922 905276718 /nfs/dbraw/zinc/27/67/18/905276718.db2.gz JMTDMKPJYTXTDF-FUCAVZNHSA-N 2 1 392.543 3.832 20 0 GHADMP CC(C)(C)[C@@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080399 905292527 /nfs/dbraw/zinc/29/25/27/905292527.db2.gz VLBXVVRTVKMUSZ-JLLPCOHGSA-N 2 1 399.623 3.909 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000174542820 905292689 /nfs/dbraw/zinc/29/26/89/905292689.db2.gz LFCRJIRCMBMXNE-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP CCC(=O)N(C)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172089943 905308191 /nfs/dbraw/zinc/30/81/91/905308191.db2.gz SZNKPSOQUDMRCN-JKHIJQBDSA-N 2 1 383.580 3.905 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172091237 905311550 /nfs/dbraw/zinc/31/15/50/905311550.db2.gz WJFFYLHUSKQBJP-RCJQCDAJSA-N 2 1 377.573 3.912 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172091237 905311566 /nfs/dbraw/zinc/31/15/66/905311566.db2.gz WJFFYLHUSKQBJP-RCJQCDAJSA-N 2 1 377.573 3.912 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098391 905318765 /nfs/dbraw/zinc/31/87/65/905318765.db2.gz CVUMIADXZUJUQE-QONVVCGCSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098391 905318782 /nfs/dbraw/zinc/31/87/82/905318782.db2.gz CVUMIADXZUJUQE-QONVVCGCSA-N 2 1 377.573 3.627 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H](N[C@@H]2CC[N@H+](CC4CCOCC4)C2)C3)cc1 ZINC001172065240 905327815 /nfs/dbraw/zinc/32/78/15/905327815.db2.gz JIBAWFRPOUSTDT-VPBXCIAMSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@@H]2CC[NH+](CC4CCOCC4)C2)C3)cc1 ZINC001172065240 905327833 /nfs/dbraw/zinc/32/78/33/905327833.db2.gz JIBAWFRPOUSTDT-VPBXCIAMSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N[C@@H]2CC[NH+](CC4CCOCC4)C2)C3)cc1 ZINC001172065240 905327851 /nfs/dbraw/zinc/32/78/51/905327851.db2.gz JIBAWFRPOUSTDT-VPBXCIAMSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CCN(c4ncccn4)CC2)C3)cc1 ZINC001172063384 905328358 /nfs/dbraw/zinc/32/83/58/905328358.db2.gz YYKSSCOJZVUHOQ-NUNAXRQHSA-N 2 1 391.563 3.621 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130284 905343507 /nfs/dbraw/zinc/34/35/07/905343507.db2.gz NJNDVHUVCAMXPW-PMOLBWCYSA-N 2 1 375.944 3.503 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130284 905343525 /nfs/dbraw/zinc/34/35/25/905343525.db2.gz NJNDVHUVCAMXPW-PMOLBWCYSA-N 2 1 375.944 3.503 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130284 905343538 /nfs/dbraw/zinc/34/35/38/905343538.db2.gz NJNDVHUVCAMXPW-PMOLBWCYSA-N 2 1 375.944 3.503 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001172111836 905358354 /nfs/dbraw/zinc/35/83/54/905358354.db2.gz WTYPGBUEOCFZCV-MHORFTMASA-N 2 1 395.341 3.658 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc31)C2 ZINC001172110806 905360920 /nfs/dbraw/zinc/36/09/20/905360920.db2.gz PKNDMPYMJVENBA-KOUNCHBCSA-N 3 1 380.580 3.795 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CCN3CCC([NH3+])CC3)c3ccccc31)C2 ZINC001172110806 905360939 /nfs/dbraw/zinc/36/09/39/905360939.db2.gz PKNDMPYMJVENBA-KOUNCHBCSA-N 2 1 380.580 3.795 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cc(CCN3CCC([NH3+])CC3)c3ccccc31)C2 ZINC001172110806 905360957 /nfs/dbraw/zinc/36/09/57/905360957.db2.gz PKNDMPYMJVENBA-KOUNCHBCSA-N 2 1 380.580 3.795 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001172113489 905364831 /nfs/dbraw/zinc/36/48/31/905364831.db2.gz HTILNXCBOGIHOL-VWPFQQQWSA-N 2 1 376.850 3.997 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001172113489 905364847 /nfs/dbraw/zinc/36/48/47/905364847.db2.gz HTILNXCBOGIHOL-VWPFQQQWSA-N 2 1 376.850 3.997 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3Cc4cccc(F)c4C3=O)CC1)C2 ZINC001172115647 905365776 /nfs/dbraw/zinc/36/57/76/905365776.db2.gz UTVAHBLMAQOWFQ-DHUDUYKCSA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3Cc4cccc(F)c4C3=O)CC1)C2 ZINC001172115647 905365786 /nfs/dbraw/zinc/36/57/86/905365786.db2.gz UTVAHBLMAQOWFQ-DHUDUYKCSA-N 2 1 385.527 3.698 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3Cc4cc(F)ccc4C3=O)CC1)C2 ZINC001172115206 905367674 /nfs/dbraw/zinc/36/76/74/905367674.db2.gz SAYIYQBMUMYUGQ-YXOJAJARSA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3Cc4cc(F)ccc4C3=O)CC1)C2 ZINC001172115206 905367690 /nfs/dbraw/zinc/36/76/90/905367690.db2.gz SAYIYQBMUMYUGQ-YXOJAJARSA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117851 905370326 /nfs/dbraw/zinc/37/03/26/905370326.db2.gz SJWZZBIKWZSPGZ-XODKDNOYSA-N 2 1 390.522 3.634 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117851 905370345 /nfs/dbraw/zinc/37/03/45/905370345.db2.gz SJWZZBIKWZSPGZ-XODKDNOYSA-N 2 1 390.522 3.634 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117851 905370362 /nfs/dbraw/zinc/37/03/62/905370362.db2.gz SJWZZBIKWZSPGZ-XODKDNOYSA-N 2 1 390.522 3.634 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172216583 905420391 /nfs/dbraw/zinc/42/03/91/905420391.db2.gz WZUJZSIHQONEIN-UHFFFAOYSA-N 2 1 380.960 3.967 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172467659 905578780 /nfs/dbraw/zinc/57/87/80/905578780.db2.gz SJIRHNVSAUGKTF-UXHICEINSA-N 2 1 378.557 3.786 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172558760 905621862 /nfs/dbraw/zinc/62/18/62/905621862.db2.gz KGFNCZGIYJUJFL-IRLDBZIGSA-N 2 1 394.563 3.627 20 0 GHADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172686632 905738638 /nfs/dbraw/zinc/73/86/38/905738638.db2.gz FRUMQPOBCKGGKC-QHCPKHFHSA-N 2 1 383.580 3.907 20 0 GHADMP COC(=O)N1CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001172737175 905781764 /nfs/dbraw/zinc/78/17/64/905781764.db2.gz HWHGEJXDBPUUTO-PWIZWCRZSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)N1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001172737175 905781776 /nfs/dbraw/zinc/78/17/76/905781776.db2.gz HWHGEJXDBPUUTO-PWIZWCRZSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)N1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001172737175 905781791 /nfs/dbraw/zinc/78/17/91/905781791.db2.gz HWHGEJXDBPUUTO-PWIZWCRZSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001172785573 905828020 /nfs/dbraw/zinc/82/80/20/905828020.db2.gz CYSCLGDKOAQARL-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001172785573 905828029 /nfs/dbraw/zinc/82/80/29/905828029.db2.gz CYSCLGDKOAQARL-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001172785573 905828040 /nfs/dbraw/zinc/82/80/40/905828040.db2.gz CYSCLGDKOAQARL-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001172785573 905828054 /nfs/dbraw/zinc/82/80/54/905828054.db2.gz CYSCLGDKOAQARL-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001172797671 905870384 /nfs/dbraw/zinc/87/03/84/905870384.db2.gz IJNOLBNVGORHIM-FAWFWBEASA-N 2 1 390.527 3.685 20 0 GHADMP CN1CC[NH+](Cc2ccccc2Nc2ccc(C3CC[NH+](C)CC3)cc2)CC1 ZINC001212690674 905919514 /nfs/dbraw/zinc/91/95/14/905919514.db2.gz RLJFSBMFERYXHN-UHFFFAOYSA-N 2 1 378.564 3.987 20 0 GHADMP CC[NH+](CC)C1CCC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001173107679 906192516 /nfs/dbraw/zinc/19/25/16/906192516.db2.gz IWXPFFJEVRDEFP-BIQTVELOSA-N 3 1 390.660 3.568 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)CC1 ZINC001173110381 906197251 /nfs/dbraw/zinc/19/72/51/906197251.db2.gz KUAKNPQZUHEQQR-ZYFYDLNSSA-N 2 1 387.568 3.737 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)CC1 ZINC001173111274 906198745 /nfs/dbraw/zinc/19/87/45/906198745.db2.gz URGCOTHEYCJVNZ-ZOOXZOTBSA-N 2 1 397.607 3.904 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001173110568 906199040 /nfs/dbraw/zinc/19/90/40/906199040.db2.gz LTKDDLCNBGXPJF-OXYJHPMESA-N 2 1 387.568 3.737 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000177978120 906258113 /nfs/dbraw/zinc/25/81/13/906258113.db2.gz PSICEJFDDVUNMN-KRWDZBQOSA-N 2 1 389.565 3.749 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000178522700 906354935 /nfs/dbraw/zinc/35/49/35/906354935.db2.gz ZGACSPLBCHCIJC-SFHVURJKSA-N 2 1 389.540 3.763 20 0 GHADMP CCN1CC[C@@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173357968 906395445 /nfs/dbraw/zinc/39/54/45/906395445.db2.gz MDQSCXGHKHXYBY-GUDVDZBRSA-N 2 1 380.374 3.615 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001173669466 906606752 /nfs/dbraw/zinc/60/67/52/906606752.db2.gz PSKWZFXKRDOQJW-UHFFFAOYSA-N 2 1 385.474 3.594 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718730 906669181 /nfs/dbraw/zinc/66/91/81/906669181.db2.gz LWPDOSGQSLAPNF-FFZOFVMBSA-N 2 1 384.545 3.530 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718730 906669189 /nfs/dbraw/zinc/66/91/89/906669189.db2.gz LWPDOSGQSLAPNF-FFZOFVMBSA-N 2 1 384.545 3.530 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718730 906669196 /nfs/dbraw/zinc/66/91/96/906669196.db2.gz LWPDOSGQSLAPNF-FFZOFVMBSA-N 2 1 384.545 3.530 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718730 906669205 /nfs/dbraw/zinc/66/92/05/906669205.db2.gz LWPDOSGQSLAPNF-FFZOFVMBSA-N 2 1 384.545 3.530 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001173732899 906673452 /nfs/dbraw/zinc/67/34/52/906673452.db2.gz ZKZRFJLXZOXGPN-DENIHFKCSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001173732899 906673461 /nfs/dbraw/zinc/67/34/61/906673461.db2.gz ZKZRFJLXZOXGPN-DENIHFKCSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001173732899 906673472 /nfs/dbraw/zinc/67/34/72/906673472.db2.gz ZKZRFJLXZOXGPN-DENIHFKCSA-N 2 1 380.532 3.858 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)cn1 ZINC000180176386 906707634 /nfs/dbraw/zinc/70/76/34/906707634.db2.gz AOTYKHIMDRYYBJ-UHFFFAOYSA-N 2 1 385.512 3.501 20 0 GHADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180737792 906831554 /nfs/dbraw/zinc/83/15/54/906831554.db2.gz FOFULMUZQCFYBS-IBGZPJMESA-N 2 1 387.568 3.591 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000365999743 921280092 /nfs/dbraw/zinc/28/00/92/921280092.db2.gz LUMOXUIGAWBODP-UGKGYDQZSA-N 2 1 379.548 3.873 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000779420882 906971045 /nfs/dbraw/zinc/97/10/45/906971045.db2.gz FRCGXZTZCVBPKH-AFYVEPGGSA-N 2 1 394.506 3.854 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185938 907346316 /nfs/dbraw/zinc/34/63/16/907346316.db2.gz UQTYRWQQPZOAPC-ARFHVFGLSA-N 2 1 378.948 3.695 20 0 GHADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175352770 907515393 /nfs/dbraw/zinc/51/53/93/907515393.db2.gz RNEWWTXZKLQYGJ-KRWDZBQOSA-N 2 1 375.340 3.541 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175352770 907515401 /nfs/dbraw/zinc/51/54/01/907515401.db2.gz RNEWWTXZKLQYGJ-KRWDZBQOSA-N 2 1 375.340 3.541 20 0 GHADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505494 907594629 /nfs/dbraw/zinc/59/46/29/907594629.db2.gz FHDYJILUSVLWCD-UHFFFAOYSA-N 2 1 376.548 3.949 20 0 GHADMP COc1cccc2c1OCCC[C@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000631584459 907766815 /nfs/dbraw/zinc/76/68/15/907766815.db2.gz DAMWZGURBNLLKU-LJQANCHMSA-N 2 1 382.508 3.574 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668289 907810293 /nfs/dbraw/zinc/81/02/93/907810293.db2.gz FXUMUQSSRSSMDE-HUUCEWRRSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668289 907810302 /nfs/dbraw/zinc/81/03/02/907810302.db2.gz FXUMUQSSRSSMDE-HUUCEWRRSA-N 2 1 394.357 3.630 20 0 GHADMP C[NH+]1CCN(C(=O)c2cccc(Nc3cccc(C[NH+]4CCCCC4)c3)c2)CC1 ZINC001175927971 907835062 /nfs/dbraw/zinc/83/50/62/907835062.db2.gz OPZDOVQOCKLNDO-UHFFFAOYSA-N 2 1 392.547 3.804 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]CCC[NH+]3CCCC3)cc2C1 ZINC001177136557 908420810 /nfs/dbraw/zinc/42/08/10/908420810.db2.gz QCAXQPBTSZLCNY-UHFFFAOYSA-N 2 1 379.570 3.617 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)[C@H](c2ccccc2)C1 ZINC001177221853 908472145 /nfs/dbraw/zinc/47/21/45/908472145.db2.gz DNOFDDILVZTBHK-SDHSZQHLSA-N 2 1 399.623 3.940 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001177328064 908527372 /nfs/dbraw/zinc/52/73/72/908527372.db2.gz FUFDMCOVALDWNY-UHFFFAOYSA-N 2 1 390.553 3.726 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000191491259 908630632 /nfs/dbraw/zinc/63/06/32/908630632.db2.gz NAVKVOBXBNJIML-INIZCTEOSA-N 2 1 383.496 3.977 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000191491259 908630648 /nfs/dbraw/zinc/63/06/48/908630648.db2.gz NAVKVOBXBNJIML-INIZCTEOSA-N 2 1 383.496 3.977 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177621940 908674817 /nfs/dbraw/zinc/67/48/17/908674817.db2.gz JAABPJIHKMOOPG-QFIPXVFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177621940 908674829 /nfs/dbraw/zinc/67/48/29/908674829.db2.gz JAABPJIHKMOOPG-QFIPXVFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[C@H](c1cccc(NCc2ccc(OCC[NH+](C)C)cc2)c1)[NH+]1CCOCC1 ZINC001178007443 908846707 /nfs/dbraw/zinc/84/67/07/908846707.db2.gz SJKHCJRWHLOXSV-LJQANCHMSA-N 2 1 383.536 3.632 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135400 908970750 /nfs/dbraw/zinc/97/07/50/908970750.db2.gz BHHAMJFUFNEHQU-PZJWPPBQSA-N 2 1 377.532 3.986 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178593470 909116050 /nfs/dbraw/zinc/11/60/50/909116050.db2.gz XNQOFGWWZLKRLB-FQEVSTJZSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266922752 909339171 /nfs/dbraw/zinc/33/91/71/909339171.db2.gz MLGILUNIJJDIBL-FQEVSTJZSA-N 2 1 394.563 3.569 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001179924066 909809700 /nfs/dbraw/zinc/80/97/00/909809700.db2.gz BPRCHFMBEZHLSZ-QMHWCDLVSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001179924066 909809716 /nfs/dbraw/zinc/80/97/16/909809716.db2.gz BPRCHFMBEZHLSZ-QMHWCDLVSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001179924066 909809731 /nfs/dbraw/zinc/80/97/31/909809731.db2.gz BPRCHFMBEZHLSZ-QMHWCDLVSA-N 2 1 391.600 3.972 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000245667496 909816627 /nfs/dbraw/zinc/81/66/27/909816627.db2.gz BPZPNQIQGWZNSS-IYWMVGAKSA-N 2 1 379.589 3.876 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001180031110 909900584 /nfs/dbraw/zinc/90/05/84/909900584.db2.gz VKCIRDXUVSWBHG-HXUWFJFHSA-N 2 1 379.589 3.689 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268832562 910037976 /nfs/dbraw/zinc/03/79/76/910037976.db2.gz RGRHIQUKYSHYIT-RDPSFJRHSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000268832562 910037992 /nfs/dbraw/zinc/03/79/92/910037992.db2.gz RGRHIQUKYSHYIT-RDPSFJRHSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccn(C(F)F)c2=O)CCN1Cc1ccccc1 ZINC000638065106 910043698 /nfs/dbraw/zinc/04/36/98/910043698.db2.gz QUFCRHZEZAIGLN-VQIMIIECSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000638065106 910043714 /nfs/dbraw/zinc/04/37/14/910043714.db2.gz QUFCRHZEZAIGLN-VQIMIIECSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000638065106 910043725 /nfs/dbraw/zinc/04/37/25/910043725.db2.gz QUFCRHZEZAIGLN-VQIMIIECSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1Cc1ccccc1 ZINC000638065106 910043744 /nfs/dbraw/zinc/04/37/44/910043744.db2.gz QUFCRHZEZAIGLN-VQIMIIECSA-N 2 1 375.463 3.728 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccccc1OCC(=O)N(C)C ZINC000268909382 910066027 /nfs/dbraw/zinc/06/60/27/910066027.db2.gz NUQCNARUTFMKGC-JOCHJYFZSA-N 2 1 397.563 3.846 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[C@@H]1[NH3+] ZINC000638207720 910087604 /nfs/dbraw/zinc/08/76/04/910087604.db2.gz OFHOJGXUKZGVAJ-NCYKPQTJSA-N 2 1 397.588 3.550 20 0 GHADMP C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+]3CCCC3)(C1)CCC2 ZINC001274459537 910130944 /nfs/dbraw/zinc/13/09/44/910130944.db2.gz WFKSDVDVFNBSSP-HLAWJBBLSA-N 2 1 375.944 3.658 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1OCCO ZINC000638396309 910144799 /nfs/dbraw/zinc/14/47/99/910144799.db2.gz JDAHNSZPAFJCPO-RBBKRZOGSA-N 2 1 396.531 3.524 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1OCCO ZINC000638396309 910144803 /nfs/dbraw/zinc/14/48/03/910144803.db2.gz JDAHNSZPAFJCPO-RBBKRZOGSA-N 2 1 396.531 3.524 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638427638 910152229 /nfs/dbraw/zinc/15/22/29/910152229.db2.gz WMGWYWCDBRDEPX-FYYLOGMGSA-N 2 1 383.580 3.981 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638427638 910152240 /nfs/dbraw/zinc/15/22/40/910152240.db2.gz WMGWYWCDBRDEPX-FYYLOGMGSA-N 2 1 383.580 3.981 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638487853 910164930 /nfs/dbraw/zinc/16/49/30/910164930.db2.gz BQTYUSGWJXYKCV-GGAORHGYSA-N 2 1 398.572 3.689 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638487853 910164941 /nfs/dbraw/zinc/16/49/41/910164941.db2.gz BQTYUSGWJXYKCV-GGAORHGYSA-N 2 1 398.572 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC001274471471 910266414 /nfs/dbraw/zinc/26/64/14/910266414.db2.gz JNHLBUZINMGILD-TZIWHRDSSA-N 2 1 377.960 3.667 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC12CCOCC2 ZINC000639142381 910325513 /nfs/dbraw/zinc/32/55/13/910325513.db2.gz BIPRCDJKKRUXRS-KKSHJYNMSA-N 2 1 384.564 3.512 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC12CCOCC2 ZINC000639142381 910325527 /nfs/dbraw/zinc/32/55/27/910325527.db2.gz BIPRCDJKKRUXRS-KKSHJYNMSA-N 2 1 384.564 3.512 20 0 GHADMP CO[C@@H](CN(CCCn1ccnc1)Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000639167905 910336918 /nfs/dbraw/zinc/33/69/18/910336918.db2.gz MLZQZOSIYRUMLF-JXFKEZNVSA-N 2 1 395.906 3.619 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)[C@@H]2C1 ZINC000639185965 910345434 /nfs/dbraw/zinc/34/54/34/910345434.db2.gz GQZTXJCDTRQAJV-ILPIOFSMSA-N 2 1 381.564 3.591 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)[C@@H]2C1 ZINC000639185965 910345450 /nfs/dbraw/zinc/34/54/50/910345450.db2.gz GQZTXJCDTRQAJV-ILPIOFSMSA-N 2 1 381.564 3.591 20 0 GHADMP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180814731 910382836 /nfs/dbraw/zinc/38/28/36/910382836.db2.gz GYHVFBLHVOUKMR-UHFFFAOYSA-N 2 1 386.367 3.663 20 0 GHADMP O=C(CC12CCC[NH+]1CCC2)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001181108618 910539529 /nfs/dbraw/zinc/53/95/29/910539529.db2.gz NAIWFERJQUGAJK-UHFFFAOYSA-N 2 1 389.543 3.595 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@@]3(C2)CCCOC3)C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000639633400 910576356 /nfs/dbraw/zinc/57/63/56/910576356.db2.gz YRSGVVOWGJAAOC-QEIWAGNOSA-N 2 1 398.591 3.775 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@]3(C2)CCCOC3)C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000639633400 910576369 /nfs/dbraw/zinc/57/63/69/910576369.db2.gz YRSGVVOWGJAAOC-QEIWAGNOSA-N 2 1 398.591 3.775 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@]3(C2)CCCOC3)C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000639633400 910576374 /nfs/dbraw/zinc/57/63/74/910576374.db2.gz YRSGVVOWGJAAOC-QEIWAGNOSA-N 2 1 398.591 3.775 20 0 GHADMP COc1coc(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)cc1=O ZINC000639726452 910637228 /nfs/dbraw/zinc/63/72/28/910637228.db2.gz XEESFCWQUCJYFQ-UHFFFAOYSA-N 2 1 382.504 3.527 20 0 GHADMP c1n[nH]cc1[C@H]1CCC[NH+]1C[C@@H](C[N@H+]1CCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000639777119 910657152 /nfs/dbraw/zinc/65/71/52/910657152.db2.gz SKOWEYOGJAMYOT-NUNAXRQHSA-N 2 1 390.535 3.891 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCc2ccccc2C1 ZINC001181639161 910866767 /nfs/dbraw/zinc/86/67/67/910866767.db2.gz YZGRVDJHXYSUCE-HSZRJFAPSA-N 2 1 377.576 3.541 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000774131499 911432812 /nfs/dbraw/zinc/43/28/12/911432812.db2.gz OXPMRJWEWCKSTJ-AYHJJNSGSA-N 2 1 383.492 3.606 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000774131499 911432824 /nfs/dbraw/zinc/43/28/24/911432824.db2.gz OXPMRJWEWCKSTJ-AYHJJNSGSA-N 2 1 383.492 3.606 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c2c1OC(F)(F)O2 ZINC001182325664 911488257 /nfs/dbraw/zinc/48/82/57/911488257.db2.gz CAWGCJRQTADLMI-GOSISDBHSA-N 2 1 384.492 3.789 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)CC1 ZINC000285076055 912151831 /nfs/dbraw/zinc/15/18/31/912151831.db2.gz JJPPNXNRKRSEEZ-KTKPDYKZSA-N 2 1 382.548 3.504 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001186929986 914878262 /nfs/dbraw/zinc/87/82/62/914878262.db2.gz DRXWSVPDJJXOIZ-XMMPIXPASA-N 2 1 389.543 3.728 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001186929986 914878282 /nfs/dbraw/zinc/87/82/82/914878282.db2.gz DRXWSVPDJJXOIZ-XMMPIXPASA-N 2 1 389.543 3.728 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947388 914943823 /nfs/dbraw/zinc/94/38/23/914943823.db2.gz YTADPAODSXGCQC-HJOGWXRNSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947388 914943836 /nfs/dbraw/zinc/94/38/36/914943836.db2.gz YTADPAODSXGCQC-HJOGWXRNSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947388 914943842 /nfs/dbraw/zinc/94/38/42/914943842.db2.gz YTADPAODSXGCQC-HJOGWXRNSA-N 2 1 391.559 3.503 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC000796358020 914965669 /nfs/dbraw/zinc/96/56/69/914965669.db2.gz PPTKZQYPCRJWCC-RUZDIDTESA-N 2 1 395.591 3.638 20 0 GHADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1C ZINC000647344377 915167071 /nfs/dbraw/zinc/16/70/71/915167071.db2.gz PJUXUKIUDAZHAR-QIJUGHKUSA-N 2 1 379.548 3.956 20 0 GHADMP CSc1ccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC000647578137 915331171 /nfs/dbraw/zinc/33/11/71/915331171.db2.gz XVUKDKMBWSGMIT-FQEVSTJZSA-N 2 1 377.598 3.782 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000647900649 915430949 /nfs/dbraw/zinc/43/09/49/915430949.db2.gz DKPRRLLCCQDBJA-JTAQYXEDSA-N 2 1 397.588 3.808 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977417 915459756 /nfs/dbraw/zinc/45/97/56/915459756.db2.gz AZRISLOYYWIWQF-ZIAGYGMSSA-N 2 1 378.879 3.741 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977417 915459766 /nfs/dbraw/zinc/45/97/66/915459766.db2.gz AZRISLOYYWIWQF-ZIAGYGMSSA-N 2 1 378.879 3.741 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000647978358 915461568 /nfs/dbraw/zinc/46/15/68/915461568.db2.gz QIDZJMJDHFLBLW-DLBZAZTESA-N 2 1 385.474 3.562 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979573 915462049 /nfs/dbraw/zinc/46/20/49/915462049.db2.gz ZKXUTIMGBXTZLS-ZRCGQRJVSA-N 2 1 393.531 3.615 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H]2CNc3ccnn3C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000648039844 915493519 /nfs/dbraw/zinc/49/35/19/915493519.db2.gz WTTYABGLNYEIRQ-NZQKXSOJSA-N 2 1 393.579 3.547 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](Cc3csc(CC(=O)Nc4ccccc4)n3)C2)CC1 ZINC000366889766 921799658 /nfs/dbraw/zinc/79/96/58/921799658.db2.gz YARYXYPEZBWWAM-UHFFFAOYSA-N 2 1 398.576 3.632 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3csc(CC(=O)Nc4ccccc4)n3)C2)CC1 ZINC000366889766 921799672 /nfs/dbraw/zinc/79/96/72/921799672.db2.gz YARYXYPEZBWWAM-UHFFFAOYSA-N 2 1 398.576 3.632 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000293696903 916334474 /nfs/dbraw/zinc/33/44/74/916334474.db2.gz REFHXLCMGWOZJZ-QHCPKHFHSA-N 2 1 383.580 3.608 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(OCCC)c1 ZINC000650706913 917244026 /nfs/dbraw/zinc/24/40/26/917244026.db2.gz VMOZKSRWHPOWIB-VCOUNFBDSA-N 2 1 390.568 3.983 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000650721901 917250238 /nfs/dbraw/zinc/25/02/38/917250238.db2.gz FNMCZWCLLZIBOV-YGOYIFOWSA-N 2 1 390.531 3.886 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000651252598 917550152 /nfs/dbraw/zinc/55/01/52/917550152.db2.gz LEUZNYTZWMRCFK-OLKYXYMISA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@](C)(O)CC3)c2)CC1 ZINC000295875480 917567319 /nfs/dbraw/zinc/56/73/19/917567319.db2.gz CYOBUCASRBJIHX-FGZHOGPDSA-N 2 1 394.987 3.814 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cs2)c1 ZINC000652348388 917877134 /nfs/dbraw/zinc/87/71/34/917877134.db2.gz BRQCNYADMQZOIO-SQGPQFPESA-N 2 1 387.549 3.537 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000652345881 917877818 /nfs/dbraw/zinc/87/78/18/917877818.db2.gz OLWZGUXLMUDVRD-TXTKFYIRSA-N 2 1 393.531 3.510 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000652362462 917883069 /nfs/dbraw/zinc/88/30/69/917883069.db2.gz HUOFXOJRPOWQKA-XYPHTWIQSA-N 2 1 383.323 3.502 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000652362462 917883081 /nfs/dbraw/zinc/88/30/81/917883081.db2.gz HUOFXOJRPOWQKA-XYPHTWIQSA-N 2 1 383.323 3.502 20 0 GHADMP CC[C@@H](C)C[N@H+](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191374945 917980526 /nfs/dbraw/zinc/98/05/26/917980526.db2.gz MFBCSSXTHUVEDC-YLJYHZDGSA-N 2 1 379.976 3.961 20 0 GHADMP CC[C@@H](C)C[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191374945 917980534 /nfs/dbraw/zinc/98/05/34/917980534.db2.gz MFBCSSXTHUVEDC-YLJYHZDGSA-N 2 1 379.976 3.961 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC001191453529 917984617 /nfs/dbraw/zinc/98/46/17/917984617.db2.gz HCSWFIJBUBPUHL-FQEVSTJZSA-N 2 1 391.556 3.966 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3CCC(C)C)cc2)CC1 ZINC001192174232 918523166 /nfs/dbraw/zinc/52/31/66/918523166.db2.gz PRVAQLHTOHYYHV-OAQYLSRUSA-N 2 1 386.584 3.668 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)[nH+]c1 ZINC000653938442 918606986 /nfs/dbraw/zinc/60/69/86/918606986.db2.gz IVAXVUHNLKTNFF-NRFANRHFSA-N 2 1 378.520 3.794 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000654482682 919145624 /nfs/dbraw/zinc/14/56/24/919145624.db2.gz VOLYLPAZNHKEFD-ZLGUVYLKSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000654482682 919145633 /nfs/dbraw/zinc/14/56/33/919145633.db2.gz VOLYLPAZNHKEFD-ZLGUVYLKSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000297367106 919272131 /nfs/dbraw/zinc/27/21/31/919272131.db2.gz GEIWAPVYFDXDOH-UHFFFAOYSA-N 2 1 396.564 3.747 20 0 GHADMP C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382041251 919718852 /nfs/dbraw/zinc/71/88/52/919718852.db2.gz INSYWPJOGMVSPQ-QUCCMNQESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000364765594 919966575 /nfs/dbraw/zinc/96/65/75/919966575.db2.gz XVLJHBAQMMFHKC-JPYJTQIMSA-N 2 1 378.520 3.801 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486002 920169442 /nfs/dbraw/zinc/16/94/42/920169442.db2.gz VHGVWMXAEACWLQ-PCCBWWKXSA-N 2 1 387.568 3.854 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486002 920169445 /nfs/dbraw/zinc/16/94/45/920169445.db2.gz VHGVWMXAEACWLQ-PCCBWWKXSA-N 2 1 387.568 3.854 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486002 920169448 /nfs/dbraw/zinc/16/94/48/920169448.db2.gz VHGVWMXAEACWLQ-PCCBWWKXSA-N 2 1 387.568 3.854 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486002 920169451 /nfs/dbraw/zinc/16/94/51/920169451.db2.gz VHGVWMXAEACWLQ-PCCBWWKXSA-N 2 1 387.568 3.854 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800507523 920214601 /nfs/dbraw/zinc/21/46/01/920214601.db2.gz YLIDRESNUIUKCP-AFUZNKLUSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800507523 920214618 /nfs/dbraw/zinc/21/46/18/920214618.db2.gz YLIDRESNUIUKCP-AFUZNKLUSA-N 2 1 391.559 3.706 20 0 GHADMP Cn1c2ccc(F)cc2nc1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902346338 922107666 /nfs/dbraw/zinc/10/76/66/922107666.db2.gz KEOKNHLGYXDUHZ-KRWDZBQOSA-N 2 1 376.426 3.951 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000367597450 922221760 /nfs/dbraw/zinc/22/17/60/922221760.db2.gz RUIOCPPCWYXDPR-OTNPHJDUSA-N 2 1 396.535 3.667 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000903085953 922760982 /nfs/dbraw/zinc/76/09/82/922760982.db2.gz JHQVUFSFINFWEW-HXIDAQGESA-N 2 1 377.573 3.769 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1)C1CCOCC1 ZINC000903088651 922762690 /nfs/dbraw/zinc/76/26/90/922762690.db2.gz KWMYUQREPDQDOL-DEOSSOPVSA-N 2 1 395.547 3.812 20 0 GHADMP C[NH+](C)CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC000903379964 922977970 /nfs/dbraw/zinc/97/79/70/922977970.db2.gz JKOZAGBMQQRNOT-JLLPCOHGSA-N 2 1 378.564 3.860 20 0 GHADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000803906807 923361668 /nfs/dbraw/zinc/36/16/68/923361668.db2.gz NXNCCIOVBPJDJN-IBGZPJMESA-N 2 1 391.462 3.672 20 0 GHADMP Cc1[nH+]ccn1CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803906807 923361684 /nfs/dbraw/zinc/36/16/84/923361684.db2.gz NXNCCIOVBPJDJN-IBGZPJMESA-N 2 1 391.462 3.672 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OCc1ccc(F)cc1 ZINC000903957003 923435135 /nfs/dbraw/zinc/43/51/35/923435135.db2.gz OVBAPZVLKAEKQV-KRWDZBQOSA-N 2 1 394.437 3.748 20 0 GHADMP CCCc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000370216723 923964457 /nfs/dbraw/zinc/96/44/57/923964457.db2.gz SMUWQXADBUYRNG-UHFFFAOYSA-N 2 1 385.596 3.907 20 0 GHADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000676871152 924119298 /nfs/dbraw/zinc/11/92/98/924119298.db2.gz HANFIKRQUQIVJB-WSTZPKSXSA-N 2 1 395.547 3.590 20 0 GHADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000676871152 924119306 /nfs/dbraw/zinc/11/93/06/924119306.db2.gz HANFIKRQUQIVJB-WSTZPKSXSA-N 2 1 395.547 3.590 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CC12CCCCC2 ZINC000370559779 924170847 /nfs/dbraw/zinc/17/08/47/924170847.db2.gz WFYMPJSPZOALJV-OAQYLSRUSA-N 2 1 375.601 3.612 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001137280381 924211258 /nfs/dbraw/zinc/21/12/58/924211258.db2.gz QAZRDXFVJJZHDP-RJGXRXQPSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001137280381 924211265 /nfs/dbraw/zinc/21/12/65/924211265.db2.gz QAZRDXFVJJZHDP-RJGXRXQPSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001137280381 924211266 /nfs/dbraw/zinc/21/12/66/924211266.db2.gz QAZRDXFVJJZHDP-RJGXRXQPSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000543807416 924268793 /nfs/dbraw/zinc/26/87/93/924268793.db2.gz LNSKRBSWVFOGFR-REHUZNOOSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000678259979 924692327 /nfs/dbraw/zinc/69/23/27/924692327.db2.gz OKYPHCZFRWZWLG-UGKGYDQZSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000678259979 924692333 /nfs/dbraw/zinc/69/23/33/924692333.db2.gz OKYPHCZFRWZWLG-UGKGYDQZSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1Cc1ccccc1 ZINC000678259979 924692340 /nfs/dbraw/zinc/69/23/40/924692340.db2.gz OKYPHCZFRWZWLG-UGKGYDQZSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1Cc1ccccc1 ZINC000678259979 924692342 /nfs/dbraw/zinc/69/23/42/924692342.db2.gz OKYPHCZFRWZWLG-UGKGYDQZSA-N 2 1 375.520 3.752 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343684 924736106 /nfs/dbraw/zinc/73/61/06/924736106.db2.gz WXDGYZUMJRHZRY-OALUTQOASA-N 2 1 376.479 3.638 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409642525 924842600 /nfs/dbraw/zinc/84/26/00/924842600.db2.gz XWYJVFILILKVAW-OAQYLSRUSA-N 2 1 385.939 3.855 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1n[nH]c3ccccc31)CC2 ZINC001137345923 924895445 /nfs/dbraw/zinc/89/54/45/924895445.db2.gz DBXRSSWBNDKWJA-KRWDZBQOSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137345923 924895453 /nfs/dbraw/zinc/89/54/53/924895453.db2.gz DBXRSSWBNDKWJA-KRWDZBQOSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137345923 924895464 /nfs/dbraw/zinc/89/54/64/924895464.db2.gz DBXRSSWBNDKWJA-KRWDZBQOSA-N 2 1 396.560 3.880 20 0 GHADMP C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000679711890 925242734 /nfs/dbraw/zinc/24/27/34/925242734.db2.gz CAHGFSUQJAKPBR-IEIRFRATSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679711890 925242747 /nfs/dbraw/zinc/24/27/47/925242747.db2.gz CAHGFSUQJAKPBR-IEIRFRATSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679711890 925242752 /nfs/dbraw/zinc/24/27/52/925242752.db2.gz CAHGFSUQJAKPBR-IEIRFRATSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000679769396 925261309 /nfs/dbraw/zinc/26/13/09/925261309.db2.gz GUHSMMPAUNNUIA-WIYYLYMNSA-N 2 1 390.572 3.538 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000680001176 925327665 /nfs/dbraw/zinc/32/76/65/925327665.db2.gz JZKNLVZHCLZVMK-KRWDZBQOSA-N 2 1 396.457 3.679 20 0 GHADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001137446655 925816197 /nfs/dbraw/zinc/81/61/97/925816197.db2.gz DTVOSOIJNRTWBK-UHFFFAOYSA-N 2 1 375.557 3.753 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001137446655 925816206 /nfs/dbraw/zinc/81/62/06/925816206.db2.gz DTVOSOIJNRTWBK-UHFFFAOYSA-N 2 1 375.557 3.753 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001137445426 925824357 /nfs/dbraw/zinc/82/43/57/925824357.db2.gz GNVKIPPPPSPFTG-UHFFFAOYSA-N 2 1 387.568 3.898 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 ZINC001137445426 925824366 /nfs/dbraw/zinc/82/43/66/925824366.db2.gz GNVKIPPPPSPFTG-UHFFFAOYSA-N 2 1 387.568 3.898 20 0 GHADMP CCC[NH+]1CCC([NH+]2CCC(c3c(OC)cc(OC)cc3OC)CC2)CC1 ZINC000681653294 925867569 /nfs/dbraw/zinc/86/75/69/925867569.db2.gz KANRFJKXMKPPSB-UHFFFAOYSA-N 2 1 376.541 3.766 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1Cl ZINC000682824250 926261813 /nfs/dbraw/zinc/26/18/13/926261813.db2.gz DCBVKUVJJMDPDP-SFHVURJKSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389737723 926386545 /nfs/dbraw/zinc/38/65/45/926386545.db2.gz BKROTHCTYYXENF-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000398166668 926487445 /nfs/dbraw/zinc/48/74/45/926487445.db2.gz HCCZLKSJMRFEPQ-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000398166668 926487447 /nfs/dbraw/zinc/48/74/47/926487447.db2.gz HCCZLKSJMRFEPQ-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000412196842 927197075 /nfs/dbraw/zinc/19/70/75/927197075.db2.gz CHDJJXWLIJZKJM-GMAHTHKFSA-N 2 1 381.564 3.761 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412316062 927326375 /nfs/dbraw/zinc/32/63/75/927326375.db2.gz VMYHJUQPLYKSFW-NRFANRHFSA-N 2 1 398.595 3.828 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412316062 927326386 /nfs/dbraw/zinc/32/63/86/927326386.db2.gz VMYHJUQPLYKSFW-NRFANRHFSA-N 2 1 398.595 3.828 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000543881795 928530648 /nfs/dbraw/zinc/53/06/48/928530648.db2.gz QDQLXENUGCENBQ-FQEVSTJZSA-N 2 1 378.605 3.547 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000467386815 929023901 /nfs/dbraw/zinc/02/39/01/929023901.db2.gz AVXSNKKEHURPJT-QHCPKHFHSA-N 2 1 397.538 3.749 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C/C=C\c2ccc(F)cc2F)c2cccs2)CC1 ZINC000544613264 929344224 /nfs/dbraw/zinc/34/42/24/929344224.db2.gz ZFQKGMISROTVIQ-VSERLBFKSA-N 2 1 377.504 3.618 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467848402 929505171 /nfs/dbraw/zinc/50/51/71/929505171.db2.gz CSJOIXSTRJQQAG-OXQOHEQNSA-N 2 1 378.438 3.993 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467848402 929505179 /nfs/dbraw/zinc/50/51/79/929505179.db2.gz CSJOIXSTRJQQAG-OXQOHEQNSA-N 2 1 378.438 3.993 20 0 GHADMP Cc1ccc([C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[NH+](C)C)cc1 ZINC000469333315 929795971 /nfs/dbraw/zinc/79/59/71/929795971.db2.gz ZXUYKPMOUMOFFR-SFHVURJKSA-N 2 1 399.445 3.546 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000469429270 929878485 /nfs/dbraw/zinc/87/84/85/929878485.db2.gz BHUJWXFDMXURRI-HRTMPFAESA-N 2 1 388.600 3.563 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469758459 930141027 /nfs/dbraw/zinc/14/10/27/930141027.db2.gz RFQXQAJTLPAJCA-ZZYHAFTGSA-N 2 1 393.575 3.781 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469758459 930141030 /nfs/dbraw/zinc/14/10/30/930141030.db2.gz RFQXQAJTLPAJCA-ZZYHAFTGSA-N 2 1 393.575 3.781 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000759534227 930395257 /nfs/dbraw/zinc/39/52/57/930395257.db2.gz JPKQKDXLYKBYJZ-LIKPIUCQSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000470296568 930515481 /nfs/dbraw/zinc/51/54/81/930515481.db2.gz FEVSJGJZPFZWNP-QYZOEREBSA-N 2 1 387.568 3.576 20 0 GHADMP C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780879307 930624958 /nfs/dbraw/zinc/62/49/58/930624958.db2.gz PZXPGTCAKUHVQO-QUCCMNQESA-N 2 1 375.557 3.744 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000781337781 930800981 /nfs/dbraw/zinc/80/09/81/930800981.db2.gz LMBUJGZUSDJZPI-CRAIPNDOSA-N 2 1 387.515 3.756 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000781337781 930800986 /nfs/dbraw/zinc/80/09/86/930800986.db2.gz LMBUJGZUSDJZPI-CRAIPNDOSA-N 2 1 387.515 3.756 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[NH+]2CCCC2)cc1 ZINC000470733014 930866819 /nfs/dbraw/zinc/86/68/19/930866819.db2.gz MNQJBJDNVPYLAC-JTHBVZDNSA-N 2 1 398.595 3.505 20 0 GHADMP CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470755568 930885659 /nfs/dbraw/zinc/88/56/59/930885659.db2.gz MPCBXBURHFYSAS-FQEVSTJZSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000470769897 930897081 /nfs/dbraw/zinc/89/70/81/930897081.db2.gz VDSRBAGEMRUDMG-OHUGHZGNSA-N 2 1 396.575 3.564 20 0 GHADMP COc1cccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)oc21 ZINC000781640218 930920752 /nfs/dbraw/zinc/92/07/52/930920752.db2.gz DUSJAVSCXHECBU-HXUWFJFHSA-N 2 1 380.488 3.688 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470898015 931011475 /nfs/dbraw/zinc/01/14/75/931011475.db2.gz PUVYMIZBOBRRBH-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920907 931030251 /nfs/dbraw/zinc/03/02/51/931030251.db2.gz BDHZBCYIPBUTBC-GUYCJALGSA-N 2 1 394.346 3.993 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967923 931064567 /nfs/dbraw/zinc/06/45/67/931064567.db2.gz KZWJRMDKVDSSJG-IRLDBZIGSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470967923 931064577 /nfs/dbraw/zinc/06/45/77/931064577.db2.gz KZWJRMDKVDSSJG-IRLDBZIGSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967923 931064584 /nfs/dbraw/zinc/06/45/84/931064584.db2.gz KZWJRMDKVDSSJG-IRLDBZIGSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470967923 931064592 /nfs/dbraw/zinc/06/45/92/931064592.db2.gz KZWJRMDKVDSSJG-IRLDBZIGSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470967923 931064600 /nfs/dbraw/zinc/06/46/00/931064600.db2.gz KZWJRMDKVDSSJG-IRLDBZIGSA-N 2 1 388.596 3.696 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000547528476 931093772 /nfs/dbraw/zinc/09/37/72/931093772.db2.gz AEBBHVWPKZAEMH-UHFFFAOYSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000471091424 931143356 /nfs/dbraw/zinc/14/33/56/931143356.db2.gz SMYKRYZLYIRZQF-FPOVZHCZSA-N 2 1 398.551 3.626 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C(C)(C)[C@H]21 ZINC000693678504 931201282 /nfs/dbraw/zinc/20/12/82/931201282.db2.gz MYPJOPQRHGZZHR-QYZOEREBSA-N 2 1 377.573 3.627 20 0 GHADMP COCCC[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000924911891 931582644 /nfs/dbraw/zinc/58/26/44/931582644.db2.gz JFRQPLNILNSPOB-CWAQXLGLSA-N 2 1 385.596 3.663 20 0 GHADMP CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925179482 931691828 /nfs/dbraw/zinc/69/18/28/931691828.db2.gz VNISHLAIQDAEFP-MVGLCXIQSA-N 2 1 383.580 3.809 20 0 GHADMP Cc1ccc([C@@H]2CC(=O)N(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000783970607 931735272 /nfs/dbraw/zinc/73/52/72/931735272.db2.gz CSJHTDIPTGETBB-HSZRJFAPSA-N 2 1 383.580 3.856 20 0 GHADMP Cc1ccc([C@H]2CC(=O)N(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000783970617 931735381 /nfs/dbraw/zinc/73/53/81/931735381.db2.gz CSJHTDIPTGETBB-QHCPKHFHSA-N 2 1 383.580 3.856 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000557962871 931776842 /nfs/dbraw/zinc/77/68/42/931776842.db2.gz QGWGCPLSENKWOM-PMOQBDJRSA-N 2 1 383.580 3.586 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000558310710 931934701 /nfs/dbraw/zinc/93/47/01/931934701.db2.gz ABFYPJPRICIFFR-UHFFFAOYSA-N 2 1 389.547 3.716 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000796692182 932031665 /nfs/dbraw/zinc/03/16/65/932031665.db2.gz AFVVWHWWGXNQDU-MUGJNUQGSA-N 2 1 397.604 3.549 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(N2CCCC2)n1 ZINC000558505071 932040264 /nfs/dbraw/zinc/04/02/64/932040264.db2.gz WMMOPZXHITWROA-RBZQAINGSA-N 2 1 390.575 3.990 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559268858 932566687 /nfs/dbraw/zinc/56/66/87/932566687.db2.gz KQCZTAMPFHDMQM-IFMALSPDSA-N 2 1 399.604 3.987 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000559268858 932566693 /nfs/dbraw/zinc/56/66/93/932566693.db2.gz KQCZTAMPFHDMQM-IFMALSPDSA-N 2 1 399.604 3.987 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000559268858 932566697 /nfs/dbraw/zinc/56/66/97/932566697.db2.gz KQCZTAMPFHDMQM-IFMALSPDSA-N 2 1 399.604 3.987 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311458 932592829 /nfs/dbraw/zinc/59/28/29/932592829.db2.gz LHDOTYCKESNCBH-NTKDMRAZSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311458 932592831 /nfs/dbraw/zinc/59/28/31/932592831.db2.gz LHDOTYCKESNCBH-NTKDMRAZSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311458 932592836 /nfs/dbraw/zinc/59/28/36/932592836.db2.gz LHDOTYCKESNCBH-NTKDMRAZSA-N 2 1 377.532 3.573 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000798482963 932666287 /nfs/dbraw/zinc/66/62/87/932666287.db2.gz QUODJLIHGHXDGY-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798482963 932666293 /nfs/dbraw/zinc/66/62/93/932666293.db2.gz QUODJLIHGHXDGY-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482963 932666299 /nfs/dbraw/zinc/66/62/99/932666299.db2.gz QUODJLIHGHXDGY-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798955436 932837607 /nfs/dbraw/zinc/83/76/07/932837607.db2.gz PXFCGSMHGWLFMR-CYFREDJKSA-N 2 1 396.531 3.629 20 0 GHADMP C[C@]1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799014929 932853521 /nfs/dbraw/zinc/85/35/21/932853521.db2.gz LZLWPMLCUIZUCC-RUZDIDTESA-N 2 1 391.559 3.924 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125413 932883504 /nfs/dbraw/zinc/88/35/04/932883504.db2.gz MYLICCZICHSFEP-QHCPKHFHSA-N 2 1 399.579 3.699 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125413 932883510 /nfs/dbraw/zinc/88/35/10/932883510.db2.gz MYLICCZICHSFEP-QHCPKHFHSA-N 2 1 399.579 3.699 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799125413 932883519 /nfs/dbraw/zinc/88/35/19/932883519.db2.gz MYLICCZICHSFEP-QHCPKHFHSA-N 2 1 399.579 3.699 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176839 932897921 /nfs/dbraw/zinc/89/79/21/932897921.db2.gz CZPMGUMUDHRREY-HXUWFJFHSA-N 2 1 398.595 3.812 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1 ZINC000559849958 932909947 /nfs/dbraw/zinc/90/99/47/932909947.db2.gz XIFWWECGHRBEEW-XZOQPEGZSA-N 2 1 377.532 3.848 20 0 GHADMP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559894656 932927280 /nfs/dbraw/zinc/92/72/80/932927280.db2.gz SSYBIIJRXJSHLV-RBBKRZOGSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1ccc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(OCC[NH+](C)C)c1 ZINC000777694438 933018327 /nfs/dbraw/zinc/01/83/27/933018327.db2.gz CHLWIHOJWMKRRR-HYBUGGRVSA-N 2 1 397.563 3.637 20 0 GHADMP Cc1ccc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(OCC[NH+](C)C)c1 ZINC000777694438 933018333 /nfs/dbraw/zinc/01/83/33/933018333.db2.gz CHLWIHOJWMKRRR-HYBUGGRVSA-N 2 1 397.563 3.637 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000560356906 933218208 /nfs/dbraw/zinc/21/82/08/933218208.db2.gz NQJXNZNGRKZKEA-HXUWFJFHSA-N 2 1 396.531 3.858 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000560356906 933218215 /nfs/dbraw/zinc/21/82/15/933218215.db2.gz NQJXNZNGRKZKEA-HXUWFJFHSA-N 2 1 396.531 3.858 20 0 GHADMP CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000560543480 933329327 /nfs/dbraw/zinc/32/93/27/933329327.db2.gz IHFMDGGUBGZRHJ-BHIFYINESA-N 2 1 383.580 3.573 20 0 GHADMP COCCn1cc2c(n1)[C@H]([NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)CCC2 ZINC000560547971 933333196 /nfs/dbraw/zinc/33/31/96/933333196.db2.gz APSNVAWVGHZWRO-XPPIMPSXSA-N 2 1 396.579 3.940 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001116501606 933595226 /nfs/dbraw/zinc/59/52/26/933595226.db2.gz YZGOHQUUICHNHU-XMMPIXPASA-N 2 1 391.559 3.804 20 0 GHADMP CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089174 933825995 /nfs/dbraw/zinc/82/59/95/933825995.db2.gz JEXVYWAXFRDYLM-UKILVPOCSA-N 2 1 393.575 3.702 20 0 GHADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089174 933826001 /nfs/dbraw/zinc/82/60/01/933826001.db2.gz JEXVYWAXFRDYLM-UKILVPOCSA-N 2 1 393.575 3.702 20 0 GHADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089174 933826004 /nfs/dbraw/zinc/82/60/04/933826004.db2.gz JEXVYWAXFRDYLM-UKILVPOCSA-N 2 1 393.575 3.702 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000561067560 933834465 /nfs/dbraw/zinc/83/44/65/933834465.db2.gz KUUPJSHDIUSWPQ-UHFFFAOYSA-N 2 1 399.457 3.720 20 0 GHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561338917 934064750 /nfs/dbraw/zinc/06/47/50/934064750.db2.gz PGLJCWVUFIZMQW-OAQYLSRUSA-N 2 1 397.588 3.598 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@H]3C[C@H]3Cc3ccccc3)CC2)CC1 ZINC001120788743 934513841 /nfs/dbraw/zinc/51/38/41/934513841.db2.gz PAXRVZRFRRYPTC-DHIUTWEWSA-N 2 1 397.607 3.568 20 0 GHADMP [NH3+]Cc1ccccc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001121960754 934793112 /nfs/dbraw/zinc/79/31/12/934793112.db2.gz WRWFWUXCMLCDAW-UHFFFAOYSA-N 2 1 392.330 3.847 20 0 GHADMP O=C(c1cc2cc(Cl)ccc2s1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001122234157 934847584 /nfs/dbraw/zinc/84/75/84/934847584.db2.gz AWTCCCVVESSBSV-CALCHBBNSA-N 2 1 389.952 3.596 20 0 GHADMP O=C(c1cc2cc(Cl)ccc2s1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122234157 934847591 /nfs/dbraw/zinc/84/75/91/934847591.db2.gz AWTCCCVVESSBSV-CALCHBBNSA-N 2 1 389.952 3.596 20 0 GHADMP CCC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC[N@@H+]1Cc1ccccc1 ZINC001137819545 935807045 /nfs/dbraw/zinc/80/70/45/935807045.db2.gz XKGFIZGGGPAVLB-TZIWHRDSSA-N 2 1 382.552 3.910 20 0 GHADMP CCC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC[N@H+]1Cc1ccccc1 ZINC001137819545 935807047 /nfs/dbraw/zinc/80/70/47/935807047.db2.gz XKGFIZGGGPAVLB-TZIWHRDSSA-N 2 1 382.552 3.910 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1ccc(Br)c(Br)c1)CC2 ZINC001222215845 1030010524 /nfs/dbraw/zinc/01/05/24/1030010524.db2.gz LSEHUURUOCHBQR-UHFFFAOYSA-N 2 1 388.147 3.915 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001626098545 1014882098 /nfs/dbraw/zinc/88/20/98/1014882098.db2.gz LEWRKELCLARFJD-GOSISDBHSA-N 2 1 390.597 3.869 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000468014032 1015142732 /nfs/dbraw/zinc/14/27/32/1015142732.db2.gz NDVFUIXKGUXFFM-HZPDHXFCSA-N 2 1 397.485 3.659 20 0 GHADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[NH+](CC)CC ZINC000468019386 1015150132 /nfs/dbraw/zinc/15/01/32/1015150132.db2.gz HPFXUMXITHEWLD-IBGZPJMESA-N 2 1 399.501 3.906 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468114294 1015282984 /nfs/dbraw/zinc/28/29/84/1015282984.db2.gz XJENVTZHQOCCSH-HUVFLSCGSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468114294 1015282990 /nfs/dbraw/zinc/28/29/90/1015282990.db2.gz XJENVTZHQOCCSH-HUVFLSCGSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000468114294 1015282998 /nfs/dbraw/zinc/28/29/98/1015282998.db2.gz XJENVTZHQOCCSH-HUVFLSCGSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000468114294 1015283007 /nfs/dbraw/zinc/28/30/07/1015283007.db2.gz XJENVTZHQOCCSH-HUVFLSCGSA-N 2 1 391.559 3.993 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1)c1ccccc1 ZINC001220788949 1032123059 /nfs/dbraw/zinc/12/30/59/1032123059.db2.gz HMHAYEQNCIKESA-VJBWXMMDSA-N 2 1 394.563 3.712 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468984398 1016305484 /nfs/dbraw/zinc/30/54/84/1016305484.db2.gz LYQIGGKPTOUAQX-FCEWJHQRSA-N 2 1 391.357 3.534 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000468984398 1016305495 /nfs/dbraw/zinc/30/54/95/1016305495.db2.gz LYQIGGKPTOUAQX-FCEWJHQRSA-N 2 1 391.357 3.534 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000469013658 1016337878 /nfs/dbraw/zinc/33/78/78/1016337878.db2.gz RMFFHDYDEGKELU-OAQYLSRUSA-N 2 1 391.987 3.931 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000469013658 1016337891 /nfs/dbraw/zinc/33/78/91/1016337891.db2.gz RMFFHDYDEGKELU-OAQYLSRUSA-N 2 1 391.987 3.931 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC001220877146 1032165921 /nfs/dbraw/zinc/16/59/21/1032165921.db2.gz PJXKJOVMACZSBM-ZCNNSNEGSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001220877146 1032165928 /nfs/dbraw/zinc/16/59/28/1032165928.db2.gz PJXKJOVMACZSBM-ZCNNSNEGSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC001220877146 1032165936 /nfs/dbraw/zinc/16/59/36/1032165936.db2.gz PJXKJOVMACZSBM-ZCNNSNEGSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC001221074532 1032269087 /nfs/dbraw/zinc/26/90/87/1032269087.db2.gz PSMGYMAKEACZMP-QFBILLFUSA-N 2 1 394.991 3.895 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)C1 ZINC001221130602 1032298899 /nfs/dbraw/zinc/29/88/99/1032298899.db2.gz ZFWKMBCQFFEVHB-QHCPKHFHSA-N 2 1 397.607 3.883 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC001221445411 1032418536 /nfs/dbraw/zinc/41/85/36/1032418536.db2.gz HPKBAPNCTKUUKY-IFMALSPDSA-N 2 1 388.600 3.519 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H]2C[NH2+]CCC2(OCC)OCC)nc1 ZINC001155233701 1032465172 /nfs/dbraw/zinc/46/51/72/1032465172.db2.gz XRJXYHSFZBTBSF-UXHICEINSA-N 2 1 390.572 3.562 20 0 GHADMP Fc1cnc(Cl)cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155363147 1032520014 /nfs/dbraw/zinc/52/00/14/1032520014.db2.gz IREONVCHJYPHLF-QGZVFWFLSA-N 2 1 388.918 3.788 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001221792601 1032536348 /nfs/dbraw/zinc/53/63/48/1032536348.db2.gz ULJAOELYZLPYGL-PMACEKPBSA-N 2 1 394.991 3.897 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H](C)[NH+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815489 1032543197 /nfs/dbraw/zinc/54/31/97/1032543197.db2.gz IDKAYZWXMRZWQU-BEFAXECRSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815489 1032543200 /nfs/dbraw/zinc/54/32/00/1032543200.db2.gz IDKAYZWXMRZWQU-BEFAXECRSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815489 1032543204 /nfs/dbraw/zinc/54/32/04/1032543204.db2.gz IDKAYZWXMRZWQU-BEFAXECRSA-N 2 1 380.964 3.505 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N[C@H]3C[NH+]4CCC3CC4)c2c1C ZINC001155667485 1032630272 /nfs/dbraw/zinc/63/02/72/1032630272.db2.gz KNZHGCXLYJXDRK-KRWDZBQOSA-N 2 1 385.581 3.800 20 0 GHADMP Fc1ccc([C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc2)nc1 ZINC000925819671 1017153485 /nfs/dbraw/zinc/15/34/85/1017153485.db2.gz XZMDXQXQWVTYRM-DEOSSOPVSA-N 2 1 390.506 3.505 20 0 GHADMP C[C@@H](Nc1cccc(OCCC[NH+](C)C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777686587 1017518046 /nfs/dbraw/zinc/51/80/46/1017518046.db2.gz ARHFQMVSIMHNEG-YKSBVNFPSA-N 2 1 397.563 3.719 20 0 GHADMP C[C@@H](Nc1cccc(OCCC[NH+](C)C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777686587 1017518049 /nfs/dbraw/zinc/51/80/49/1017518049.db2.gz ARHFQMVSIMHNEG-YKSBVNFPSA-N 2 1 397.563 3.719 20 0 GHADMP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204262980 1032706862 /nfs/dbraw/zinc/70/68/62/1032706862.db2.gz CZFPINITNNQPLK-UHFFFAOYSA-N 2 1 398.547 3.973 20 0 GHADMP CC1(C)CC(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC(C)(C)[NH2+]1 ZINC000562869169 1018732475 /nfs/dbraw/zinc/73/24/75/1018732475.db2.gz HJMZDNMTFNOIJD-XMMPIXPASA-N 2 1 398.595 3.603 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000562988539 1018891735 /nfs/dbraw/zinc/89/17/35/1018891735.db2.gz PPXAWUAGYWOJIA-QGZVFWFLSA-N 2 1 379.932 3.696 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CC12CCOCC2 ZINC000564973393 1019133255 /nfs/dbraw/zinc/13/32/55/1019133255.db2.gz FHGLEWVFLHZCGX-XMMPIXPASA-N 2 1 378.560 3.775 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000564994332 1019137285 /nfs/dbraw/zinc/13/72/85/1019137285.db2.gz PHOIRWOEULTRGI-XQBPLPMBSA-N 2 1 383.580 3.706 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(CCSC)cc3)CC2)CC1 ZINC000568528882 1019417227 /nfs/dbraw/zinc/41/72/27/1019417227.db2.gz HTTWSYIIDLDILV-UHFFFAOYSA-N 2 1 389.609 3.727 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569690808 1019502349 /nfs/dbraw/zinc/50/23/49/1019502349.db2.gz OGAYBNRJUPDCCC-HHRWBCNNSA-N 2 1 393.522 3.631 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000569690808 1019502355 /nfs/dbraw/zinc/50/23/55/1019502355.db2.gz OGAYBNRJUPDCCC-HHRWBCNNSA-N 2 1 393.522 3.631 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001204415168 1032844793 /nfs/dbraw/zinc/84/47/93/1032844793.db2.gz XBQFTPDWDZAULC-QUCCMNQESA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001204415168 1032844812 /nfs/dbraw/zinc/84/48/12/1032844812.db2.gz XBQFTPDWDZAULC-QUCCMNQESA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001204415168 1032844828 /nfs/dbraw/zinc/84/48/28/1032844828.db2.gz XBQFTPDWDZAULC-QUCCMNQESA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC001204415168 1032844840 /nfs/dbraw/zinc/84/48/40/1032844840.db2.gz XBQFTPDWDZAULC-QUCCMNQESA-N 2 1 398.469 3.766 20 0 GHADMP Fc1ccc(OCc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000571921507 1019727162 /nfs/dbraw/zinc/72/71/62/1019727162.db2.gz WYFBAPDIEDPRLF-HOTGVXAUSA-N 2 1 375.513 3.683 20 0 GHADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000572259521 1019759129 /nfs/dbraw/zinc/75/91/29/1019759129.db2.gz YSVYAKFUFYOLJN-DEOSSOPVSA-N 2 1 393.575 3.986 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000574296484 1019859717 /nfs/dbraw/zinc/85/97/17/1019859717.db2.gz RZYTUITUFQDJCA-UHFFFAOYSA-N 2 1 391.559 3.558 20 0 GHADMP CC(C)N(CCC[NH3+])c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001156124156 1032890113 /nfs/dbraw/zinc/89/01/13/1032890113.db2.gz OEEOTMPHPMVLMH-UHFFFAOYSA-N 2 1 383.565 3.984 20 0 GHADMP CC(C)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204456499 1032901523 /nfs/dbraw/zinc/90/15/23/1032901523.db2.gz SIQJELSQRFGTFA-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204456499 1032901530 /nfs/dbraw/zinc/90/15/30/1032901530.db2.gz SIQJELSQRFGTFA-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204456499 1032901533 /nfs/dbraw/zinc/90/15/33/1032901533.db2.gz SIQJELSQRFGTFA-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628036700 1020651868 /nfs/dbraw/zinc/65/18/68/1020651868.db2.gz HGCVZWIKWITBEE-MJGOQNOKSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628036700 1020651870 /nfs/dbraw/zinc/65/18/70/1020651870.db2.gz HGCVZWIKWITBEE-MJGOQNOKSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628036700 1020651881 /nfs/dbraw/zinc/65/18/81/1020651881.db2.gz HGCVZWIKWITBEE-MJGOQNOKSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628036700 1020651885 /nfs/dbraw/zinc/65/18/85/1020651885.db2.gz HGCVZWIKWITBEE-MJGOQNOKSA-N 2 1 377.960 3.541 20 0 GHADMP Cc1c(F)cccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001204509138 1032937911 /nfs/dbraw/zinc/93/79/11/1032937911.db2.gz MDALNSUUWQQJRK-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000632872722 1020917186 /nfs/dbraw/zinc/91/71/86/1020917186.db2.gz AJHLUQMQYSGPQH-PKTZIBPZSA-N 2 1 377.532 3.533 20 0 GHADMP COc1cc(C)cc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1C ZINC000638980556 1021060420 /nfs/dbraw/zinc/06/04/20/1021060420.db2.gz FXOAUWXBTUIVKF-UHFFFAOYSA-N 2 1 381.520 3.634 20 0 GHADMP CC(=O)N1CCC[C@@H](C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639125021 1021065264 /nfs/dbraw/zinc/06/52/64/1021065264.db2.gz XYLGRKACVXQIJV-LADGPHEKSA-N 2 1 385.596 3.773 20 0 GHADMP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1Cc1ccccc1 ZINC001140249276 1021224380 /nfs/dbraw/zinc/22/43/80/1021224380.db2.gz XALPZHIRLVWXDD-DEOSSOPVSA-N 2 1 391.559 3.671 20 0 GHADMP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1Cc1ccccc1 ZINC001140249276 1021224385 /nfs/dbraw/zinc/22/43/85/1021224385.db2.gz XALPZHIRLVWXDD-DEOSSOPVSA-N 2 1 391.559 3.671 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000834586135 1021283207 /nfs/dbraw/zinc/28/32/07/1021283207.db2.gz ZBEHTNKRKWRKAN-FQUZAXHOSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000834586135 1021283219 /nfs/dbraw/zinc/28/32/19/1021283219.db2.gz ZBEHTNKRKWRKAN-FQUZAXHOSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000834586135 1021283224 /nfs/dbraw/zinc/28/32/24/1021283224.db2.gz ZBEHTNKRKWRKAN-FQUZAXHOSA-N 3 1 397.607 3.663 20 0 GHADMP c1csc(-c2cccc(C[N@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c2)n1 ZINC001140334801 1021434577 /nfs/dbraw/zinc/43/45/77/1021434577.db2.gz WFKCVPAGPGRBSQ-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(-c2cccc(CN3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)c2)n1 ZINC001140334801 1021434588 /nfs/dbraw/zinc/43/45/88/1021434588.db2.gz WFKCVPAGPGRBSQ-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(-c2cccc(CN3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)c2)n1 ZINC001140334801 1021434592 /nfs/dbraw/zinc/43/45/92/1021434592.db2.gz WFKCVPAGPGRBSQ-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](C)c2cccc(Br)c2)C1 ZINC001204593394 1032988632 /nfs/dbraw/zinc/98/86/32/1032988632.db2.gz QWZJWGZHXHSNOV-APWZRJJASA-N 2 1 383.374 3.985 20 0 GHADMP Cn1cnc2cc(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ccc21 ZINC001140506834 1021890443 /nfs/dbraw/zinc/89/04/43/1021890443.db2.gz FPWKWNKWLCXFTH-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000679321040 1021985948 /nfs/dbraw/zinc/98/59/48/1021985948.db2.gz QRLOFZPLRSTPMA-ICSRJNTNSA-N 2 1 383.536 3.762 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679338274 1021990174 /nfs/dbraw/zinc/99/01/74/1021990174.db2.gz CFJHSDUDZRBQQQ-AYOQOUSVSA-N 2 1 381.358 3.991 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679338274 1021990178 /nfs/dbraw/zinc/99/01/78/1021990178.db2.gz CFJHSDUDZRBQQQ-AYOQOUSVSA-N 2 1 381.358 3.991 20 0 GHADMP Cc1ccc(F)cc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001140591000 1022023100 /nfs/dbraw/zinc/02/31/00/1022023100.db2.gz NXPIJPNAFDOGKC-QFIPXVFZSA-N 2 1 383.511 3.785 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccccc1 ZINC000679722142 1022044068 /nfs/dbraw/zinc/04/40/68/1022044068.db2.gz WCOGHRQELRLZSV-YMPZKCBVSA-N 2 1 377.532 3.906 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(C(=O)NC(C)C)cc4)C[C@@H]3C2)cc1 ZINC001140615220 1022074780 /nfs/dbraw/zinc/07/47/80/1022074780.db2.gz XZKHCPRZVKYLMV-PSWAGMNNSA-N 2 1 391.559 3.697 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(C(=O)NC(C)C)cc4)C[C@@H]3C2)cc1 ZINC001140615220 1022074784 /nfs/dbraw/zinc/07/47/84/1022074784.db2.gz XZKHCPRZVKYLMV-PSWAGMNNSA-N 2 1 391.559 3.697 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(C(=O)NC(C)C)cc4)C[C@@H]3C2)cc1 ZINC001140615220 1022074792 /nfs/dbraw/zinc/07/47/92/1022074792.db2.gz XZKHCPRZVKYLMV-PSWAGMNNSA-N 2 1 391.559 3.697 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc(C)c1O ZINC001140655241 1022181782 /nfs/dbraw/zinc/18/17/82/1022181782.db2.gz DIDCMBFQRLRRSM-JOCHJYFZSA-N 2 1 395.547 3.660 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC001204742461 1033057640 /nfs/dbraw/zinc/05/76/40/1033057640.db2.gz OLRJGDUTRZXOLG-UHFFFAOYSA-N 2 1 398.332 3.874 20 0 GHADMP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cn2)c1 ZINC001204742146 1033057789 /nfs/dbraw/zinc/05/77/89/1033057789.db2.gz IRSQETGCCQMAKU-UHFFFAOYSA-N 2 1 378.442 3.857 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001140803861 1022576551 /nfs/dbraw/zinc/57/65/51/1022576551.db2.gz ZFCOQRIJQCRWPY-DHIUTWEWSA-N 2 1 392.503 3.546 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001140803861 1022576563 /nfs/dbraw/zinc/57/65/63/1022576563.db2.gz ZFCOQRIJQCRWPY-DHIUTWEWSA-N 2 1 392.503 3.546 20 0 GHADMP O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2cnc3cc[nH]cc2-3)CC1 ZINC001140806801 1022581763 /nfs/dbraw/zinc/58/17/63/1022581763.db2.gz SLAAKKPTJNURKL-UHFFFAOYSA-N 2 1 382.895 3.745 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(-c3ccc(OC)cc3)n2)CC1 ZINC001140959339 1023004602 /nfs/dbraw/zinc/00/46/02/1023004602.db2.gz QYTUNFQVBHLZKC-UHFFFAOYSA-N 2 1 396.579 3.607 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001204938335 1033177358 /nfs/dbraw/zinc/17/73/58/1033177358.db2.gz QMZMOUZRZSEMNR-DNVJHFABSA-N 2 1 378.516 3.864 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2Cc2cccnc2)c1 ZINC000117798620 1024135329 /nfs/dbraw/zinc/13/53/29/1024135329.db2.gz STSWTOMDQNXCFH-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2Cc2cccnc2)c1 ZINC000117798620 1024135340 /nfs/dbraw/zinc/13/53/40/1024135340.db2.gz STSWTOMDQNXCFH-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC000117798620 1024135347 /nfs/dbraw/zinc/13/53/47/1024135347.db2.gz STSWTOMDQNXCFH-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC000117798620 1024135354 /nfs/dbraw/zinc/13/53/54/1024135354.db2.gz STSWTOMDQNXCFH-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c1C ZINC001138136010 1024200407 /nfs/dbraw/zinc/20/04/07/1024200407.db2.gz NAHDIDPTLPQATK-SFTDATJTSA-N 2 1 395.547 3.680 20 0 GHADMP Cn1ccc(C[N@H+]2CCCC23CCN(Cc2c[nH]nc2-c2cccs2)CC3)n1 ZINC001138153566 1024251767 /nfs/dbraw/zinc/25/17/67/1024251767.db2.gz OHGWSYWACJWJBI-UHFFFAOYSA-N 2 1 396.564 3.502 20 0 GHADMP CCc1cccc2c(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)c[nH]c21 ZINC001138361725 1024727280 /nfs/dbraw/zinc/72/72/80/1024727280.db2.gz XTBWBCZULNPTRD-ZJSXRUAMSA-N 2 1 381.564 3.911 20 0 GHADMP CCc1cccc2c(C[NH+]3CC[C@]4(C3)C[N@H+](C)C[C@@H]4COCC3CC3)c[nH]c21 ZINC001138361725 1024727301 /nfs/dbraw/zinc/72/73/01/1024727301.db2.gz XTBWBCZULNPTRD-ZJSXRUAMSA-N 2 1 381.564 3.911 20 0 GHADMP CCc1cccc2c(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)c[nH]c21 ZINC001138361725 1024727313 /nfs/dbraw/zinc/72/73/13/1024727313.db2.gz XTBWBCZULNPTRD-ZJSXRUAMSA-N 2 1 381.564 3.911 20 0 GHADMP CCc1cccc2c(C[NH+]3CCC([N@@H+]4CCC[C@@H](C(=O)OC)C4)CC3)c[nH]c21 ZINC001138363514 1024729805 /nfs/dbraw/zinc/72/98/05/1024729805.db2.gz KXNFSNCVNDUEBY-GOSISDBHSA-N 2 1 383.536 3.580 20 0 GHADMP CCc1cccc2c(C[NH+]3CCC([N@H+]4CCC[C@@H](C(=O)OC)C4)CC3)c[nH]c21 ZINC001138363514 1024729817 /nfs/dbraw/zinc/72/98/17/1024729817.db2.gz KXNFSNCVNDUEBY-GOSISDBHSA-N 2 1 383.536 3.580 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)cc1 ZINC001138542611 1024984870 /nfs/dbraw/zinc/98/48/70/1024984870.db2.gz GYKNUJCXMXIMOF-QFIPXVFZSA-N 2 1 381.520 3.731 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001138549714 1024997280 /nfs/dbraw/zinc/99/72/80/1024997280.db2.gz CGPGXWTZNTUZKT-DEOSSOPVSA-N 2 1 390.531 3.514 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC001138549714 1024997284 /nfs/dbraw/zinc/99/72/84/1024997284.db2.gz CGPGXWTZNTUZKT-DEOSSOPVSA-N 2 1 390.531 3.514 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)cc1 ZINC001138552013 1025005841 /nfs/dbraw/zinc/00/58/41/1025005841.db2.gz UMFIUFKIIYYRFI-JOCHJYFZSA-N 2 1 386.499 3.801 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)cc1 ZINC001138552013 1025005847 /nfs/dbraw/zinc/00/58/47/1025005847.db2.gz UMFIUFKIIYYRFI-JOCHJYFZSA-N 2 1 386.499 3.801 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC001141439884 1025061022 /nfs/dbraw/zinc/06/10/22/1025061022.db2.gz MPXBHGILFXQPHK-IHWFROFDSA-N 2 1 381.520 3.657 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC001141439884 1025061029 /nfs/dbraw/zinc/06/10/29/1025061029.db2.gz MPXBHGILFXQPHK-IHWFROFDSA-N 2 1 381.520 3.657 20 0 GHADMP C[N@H+](Cc1cnc(C(F)(F)F)nc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141464969 1025130836 /nfs/dbraw/zinc/13/08/36/1025130836.db2.gz RLQIZQGXOCYDNB-UHFFFAOYSA-N 2 1 378.442 3.839 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001138771804 1025340074 /nfs/dbraw/zinc/34/00/74/1025340074.db2.gz DVZQMIURYCTHBT-VWLOTQADSA-N 2 1 393.575 3.868 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)cc1 ZINC001138771804 1025340089 /nfs/dbraw/zinc/34/00/89/1025340089.db2.gz DVZQMIURYCTHBT-VWLOTQADSA-N 2 1 393.575 3.868 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)cc1 ZINC001138771804 1025340104 /nfs/dbraw/zinc/34/01/04/1025340104.db2.gz DVZQMIURYCTHBT-VWLOTQADSA-N 2 1 393.575 3.868 20 0 GHADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772296 1025341118 /nfs/dbraw/zinc/34/11/18/1025341118.db2.gz YBNCWJNZFYCOJQ-PXNSSMCTSA-N 2 1 391.556 3.505 20 0 GHADMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n([C@H]2CCCCO2)n1 ZINC001138776796 1025349989 /nfs/dbraw/zinc/34/99/89/1025349989.db2.gz NSZGBZKSOZNJMU-OAQYLSRUSA-N 2 1 384.524 3.663 20 0 GHADMP CCN(CC)c1ncc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC001138802050 1025390289 /nfs/dbraw/zinc/39/02/89/1025390289.db2.gz AZNUPCLSHZPNJK-PMACEKPBSA-N 2 1 384.593 3.943 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000838918910 1025444562 /nfs/dbraw/zinc/44/45/62/1025444562.db2.gz XEQDUJSEOXCSTD-QGZVFWFLSA-N 2 1 393.597 3.855 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000838918910 1025444571 /nfs/dbraw/zinc/44/45/71/1025444571.db2.gz XEQDUJSEOXCSTD-QGZVFWFLSA-N 2 1 393.597 3.855 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2cccc(Cl)c2nc1Cl ZINC001141548502 1025480628 /nfs/dbraw/zinc/48/06/28/1025480628.db2.gz WGMUYMUBVLENMI-ZWKOTPCHSA-N 2 1 393.362 3.752 20 0 GHADMP COc1cccc(CC2([NH3+])CCN(c3cc(OC)c4ccccc4[nH+]3)CC2)c1 ZINC001162049472 1025564149 /nfs/dbraw/zinc/56/41/49/1025564149.db2.gz KSCRLKIFJIJIFA-UHFFFAOYSA-N 2 1 377.488 3.792 20 0 GHADMP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162454533 1025753439 /nfs/dbraw/zinc/75/34/39/1025753439.db2.gz ORDRWIAHUJOUKC-PZJWPPBQSA-N 2 1 378.564 3.996 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001139070050 1025868618 /nfs/dbraw/zinc/86/86/18/1025868618.db2.gz DFFBDSDXIHZQNN-XZOQPEGZSA-N 2 1 379.548 3.572 20 0 GHADMP COc1ccc(CN2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)nc1OC ZINC001139106338 1025914729 /nfs/dbraw/zinc/91/47/29/1025914729.db2.gz HYIIJKBHJRHRPT-ONTIZHBOSA-N 2 1 381.520 3.709 20 0 GHADMP c1nc2ccc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)nc2s1 ZINC001162933106 1025971490 /nfs/dbraw/zinc/97/14/90/1025971490.db2.gz KOCZDAUYBYUGLC-GOSISDBHSA-N 2 1 393.560 3.605 20 0 GHADMP c1noc2cc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc12 ZINC001162933733 1025972340 /nfs/dbraw/zinc/97/23/40/1025972340.db2.gz HEEZQLMKYBZYLG-HXUWFJFHSA-N 2 1 376.504 3.742 20 0 GHADMP CCn1ccc2c1cccc2C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001139155988 1025977168 /nfs/dbraw/zinc/97/71/68/1025977168.db2.gz WVQNVYXSVNXTFT-LJQANCHMSA-N 2 1 383.536 3.511 20 0 GHADMP CCn1ccc2c1cccc2C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001139155988 1025977170 /nfs/dbraw/zinc/97/71/70/1025977170.db2.gz WVQNVYXSVNXTFT-LJQANCHMSA-N 2 1 383.536 3.511 20 0 GHADMP Fc1cc2nc[nH]c2cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940621 1025977959 /nfs/dbraw/zinc/97/79/59/1025977959.db2.gz ITJXYMUSGMRASP-SFHVURJKSA-N 2 1 393.510 3.616 20 0 GHADMP Fc1cc2[nH]cnc2cc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940621 1025977964 /nfs/dbraw/zinc/97/79/64/1025977964.db2.gz ITJXYMUSGMRASP-SFHVURJKSA-N 2 1 393.510 3.616 20 0 GHADMP Fc1cc2[nH]cnc2cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940621 1025977970 /nfs/dbraw/zinc/97/79/70/1025977970.db2.gz ITJXYMUSGMRASP-SFHVURJKSA-N 2 1 393.510 3.616 20 0 GHADMP Fc1cc2[nH]c[nH+]c2cc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940621 1025977976 /nfs/dbraw/zinc/97/79/76/1025977976.db2.gz ITJXYMUSGMRASP-SFHVURJKSA-N 3 1 393.510 3.616 20 0 GHADMP Fc1cc2[nH]c[nH+]c2cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940621 1025977980 /nfs/dbraw/zinc/97/79/80/1025977980.db2.gz ITJXYMUSGMRASP-SFHVURJKSA-N 3 1 393.510 3.616 20 0 GHADMP OC[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139514892 1026370727 /nfs/dbraw/zinc/37/07/27/1026370727.db2.gz WDTUFHYSSVIFFJ-QHCPKHFHSA-N 2 1 393.575 3.603 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC001139515162 1026371374 /nfs/dbraw/zinc/37/13/74/1026371374.db2.gz HBZOQFRCJSVSRP-QHCPKHFHSA-N 2 1 379.548 3.620 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC[C@H]1O ZINC001139514879 1026371936 /nfs/dbraw/zinc/37/19/36/1026371936.db2.gz VTDPOUTUFJNOAG-PXDATVDWSA-N 2 1 393.575 3.602 20 0 GHADMP OC12C[C@@H]3C[C@H](C1)CC(Nc1ccc4c(c1)[nH+]cn4[C@H]1CCC[NH2+]CC1)(C3)C2 ZINC001164112456 1026424767 /nfs/dbraw/zinc/42/47/67/1026424767.db2.gz SYSWOJPABARKGZ-MEQYTQKUSA-N 2 1 380.536 3.847 20 0 GHADMP Fc1cccc2nc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC001139572316 1026441644 /nfs/dbraw/zinc/44/16/44/1026441644.db2.gz NDMAWXPESFMWQD-WOJBJXKFSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC001139572316 1026441649 /nfs/dbraw/zinc/44/16/49/1026441649.db2.gz NDMAWXPESFMWQD-WOJBJXKFSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC001139572316 1026441652 /nfs/dbraw/zinc/44/16/52/1026441652.db2.gz NDMAWXPESFMWQD-WOJBJXKFSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC001139572316 1026441656 /nfs/dbraw/zinc/44/16/56/1026441656.db2.gz NDMAWXPESFMWQD-WOJBJXKFSA-N 2 1 378.495 3.817 20 0 GHADMP [NH3+]CC1(c2ccccc2)CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001164439247 1026514701 /nfs/dbraw/zinc/51/47/01/1026514701.db2.gz PASDWVDHFLVINR-UHFFFAOYSA-N 2 1 397.526 3.977 20 0 GHADMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001164475400 1026521117 /nfs/dbraw/zinc/52/11/17/1026521117.db2.gz ZQQOFBCUNRRJRL-CVEARBPZSA-N 2 1 395.576 3.984 20 0 GHADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]c1N1CCOCC1 ZINC001164492109 1026529659 /nfs/dbraw/zinc/52/96/59/1026529659.db2.gz IYLSBPBNVBGBPW-ACIOBRDBSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]c1N1CCOCC1 ZINC001164492109 1026529661 /nfs/dbraw/zinc/52/96/61/1026529661.db2.gz IYLSBPBNVBGBPW-ACIOBRDBSA-N 2 1 392.547 3.549 20 0 GHADMP COC(=O)c1cccc2[nH]cc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)c21 ZINC001139720780 1026562936 /nfs/dbraw/zinc/56/29/36/1026562936.db2.gz OJGQSNBHBPSQMH-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001139720780 1026562944 /nfs/dbraw/zinc/56/29/44/1026562944.db2.gz OJGQSNBHBPSQMH-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c21 ZINC001139720780 1026562971 /nfs/dbraw/zinc/56/29/71/1026562971.db2.gz OJGQSNBHBPSQMH-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP CC(C)N(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461117336 1069398907 /nfs/dbraw/zinc/39/89/07/1069398907.db2.gz VFHUZCOUZMBQPI-NZQKXSOJSA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)N(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461117336 1069398914 /nfs/dbraw/zinc/39/89/14/1069398914.db2.gz VFHUZCOUZMBQPI-NZQKXSOJSA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)N(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461117336 1069398922 /nfs/dbraw/zinc/39/89/22/1069398922.db2.gz VFHUZCOUZMBQPI-NZQKXSOJSA-N 2 1 389.559 3.710 20 0 GHADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cnc5c(c4)OCCO5)C3)CC2)cc1 ZINC001139737755 1026578168 /nfs/dbraw/zinc/57/81/68/1026578168.db2.gz VGOZGUSGKZVRJN-UHFFFAOYSA-N 2 1 393.531 3.731 20 0 GHADMP FC(F)c1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001139800879 1026624718 /nfs/dbraw/zinc/62/47/18/1026624718.db2.gz FIEGTRJRMAWXAE-TZIWHRDSSA-N 2 1 387.474 3.742 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1[nH+]c(C)cc3ccccc31)C2 ZINC001165404852 1026719141 /nfs/dbraw/zinc/71/91/41/1026719141.db2.gz AUGUJTYZIZRRLU-GBXCKJPGSA-N 2 1 393.531 3.693 20 0 GHADMP Cn1ncc2cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc21 ZINC001139949536 1026754777 /nfs/dbraw/zinc/75/47/77/1026754777.db2.gz NVAWXFVKWWSFIC-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP Cn1ncc2cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc21 ZINC001139949536 1026754786 /nfs/dbraw/zinc/75/47/86/1026754786.db2.gz NVAWXFVKWWSFIC-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP COc1cccc(-c2ncc(C[NH+]3CCC4(CCn5c(C)c[nH+]c54)CC3)cn2)c1 ZINC001140195381 1026968466 /nfs/dbraw/zinc/96/84/66/1026968466.db2.gz PVWCOBWYFRKJQI-UHFFFAOYSA-N 2 1 389.503 3.595 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3cc(OC)ccc3o1)C2 ZINC001209771722 1027175097 /nfs/dbraw/zinc/17/50/97/1027175097.db2.gz RWXYZJBERNYLDM-XXBNENTESA-N 2 1 384.520 3.622 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3cc(OC)ccc3o1)C2 ZINC001209771722 1027175105 /nfs/dbraw/zinc/17/51/05/1027175105.db2.gz RWXYZJBERNYLDM-XXBNENTESA-N 2 1 384.520 3.622 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc3cc(OC)ccc3o1)C2 ZINC001209771722 1027175113 /nfs/dbraw/zinc/17/51/13/1027175113.db2.gz RWXYZJBERNYLDM-XXBNENTESA-N 2 1 384.520 3.622 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc3cc(OC)ccc3o1)C2 ZINC001209771722 1027175125 /nfs/dbraw/zinc/17/51/25/1027175125.db2.gz RWXYZJBERNYLDM-XXBNENTESA-N 2 1 384.520 3.622 20 0 GHADMP O[C@]1(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC[N@H+](Cc2ccccc2)C1 ZINC001461229630 1069453030 /nfs/dbraw/zinc/45/30/30/1069453030.db2.gz BDPCFBVGGWJLHN-FQEVSTJZSA-N 2 1 387.936 3.676 20 0 GHADMP O[C@]1(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461229630 1069453034 /nfs/dbraw/zinc/45/30/34/1069453034.db2.gz BDPCFBVGGWJLHN-FQEVSTJZSA-N 2 1 387.936 3.676 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001461234332 1069455284 /nfs/dbraw/zinc/45/52/84/1069455284.db2.gz RVJUSAGQYWTKLT-GOSISDBHSA-N 2 1 384.520 3.757 20 0 GHADMP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001203566287 1027438462 /nfs/dbraw/zinc/43/84/62/1027438462.db2.gz RSBTVCMHBDIGFK-HNNXBMFYSA-N 2 1 378.385 3.945 20 0 GHADMP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001203566287 1027438475 /nfs/dbraw/zinc/43/84/75/1027438475.db2.gz RSBTVCMHBDIGFK-HNNXBMFYSA-N 2 1 378.385 3.945 20 0 GHADMP COc1ccc(Br)cc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001203777447 1027595927 /nfs/dbraw/zinc/59/59/27/1027595927.db2.gz STCULHWMOAUWJM-UHFFFAOYSA-N 2 1 390.325 3.900 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1C ZINC001203898067 1027690819 /nfs/dbraw/zinc/69/08/19/1027690819.db2.gz IGISZWVQWVGBGA-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203914190 1027704174 /nfs/dbraw/zinc/70/41/74/1027704174.db2.gz KLHLCLLLZJKBQJ-JOCHJYFZSA-N 2 1 383.511 3.724 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001203962791 1027759509 /nfs/dbraw/zinc/75/95/09/1027759509.db2.gz WIJDFTGZBKLZJW-FQEVSTJZSA-N 2 1 384.520 3.934 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001141980648 1027804925 /nfs/dbraw/zinc/80/49/25/1027804925.db2.gz ADCNDPJWXWGUNW-QHCPKHFHSA-N 2 1 383.536 3.973 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001141980648 1027804945 /nfs/dbraw/zinc/80/49/45/1027804945.db2.gz ADCNDPJWXWGUNW-QHCPKHFHSA-N 2 1 383.536 3.973 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)ccc1O ZINC001204117022 1027890123 /nfs/dbraw/zinc/89/01/23/1027890123.db2.gz WLCDNUBDEMQWNI-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC001461430359 1069546283 /nfs/dbraw/zinc/54/62/83/1069546283.db2.gz LNADDXWWIRGSON-INIZCTEOSA-N 2 1 396.865 3.798 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(Cl)cccc2OC(F)F)C1 ZINC001461430359 1069546272 /nfs/dbraw/zinc/54/62/72/1069546272.db2.gz LNADDXWWIRGSON-INIZCTEOSA-N 2 1 396.865 3.798 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@@H](C2CCCC2)CC1=O ZINC000842602038 1029408376 /nfs/dbraw/zinc/40/83/76/1029408376.db2.gz QCJFSUQJVCHEOW-NRFANRHFSA-N 2 1 384.568 3.616 20 0 GHADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1cccc(C[NH+](C)C)c1F ZINC001216232067 1029577303 /nfs/dbraw/zinc/57/73/03/1029577303.db2.gz MAUOHYMWOUOVQH-UHFFFAOYSA-N 2 1 398.482 3.796 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC001142848412 1029578675 /nfs/dbraw/zinc/57/86/75/1029578675.db2.gz MGSLRASMEKDGKR-UHFFFAOYSA-N 2 1 396.457 3.616 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001142909250 1029672827 /nfs/dbraw/zinc/67/28/27/1029672827.db2.gz UHJPRIOJSSLBMI-UHFFFAOYSA-N 2 1 380.532 3.746 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222125292 1029972055 /nfs/dbraw/zinc/97/20/55/1029972055.db2.gz IUDHEDHBZCQJIG-ICSRJNTNSA-N 2 1 398.469 3.503 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1c3ccccc3[nH]c1C(C)(C)C)CC[NH2+]CC2 ZINC001222220743 1030014110 /nfs/dbraw/zinc/01/41/10/1030014110.db2.gz GRDOYPYAIGELLZ-FQEVSTJZSA-N 2 1 397.563 3.973 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cc(C(C)C)c(OC)cc1C)CC[NH2+]CC2 ZINC001222225900 1030019071 /nfs/dbraw/zinc/01/90/71/1030019071.db2.gz JFUVFFBPEVUCSE-HXUWFJFHSA-N 2 1 388.552 3.634 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(C(C)C)c(OC)cc1C)CC[NH2+]CC2 ZINC001222225900 1030019090 /nfs/dbraw/zinc/01/90/90/1030019090.db2.gz JFUVFFBPEVUCSE-HXUWFJFHSA-N 2 1 388.552 3.634 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccc(F)c(-c3ccccc3)c1)CC[NH2+]CC2 ZINC001222232532 1030025185 /nfs/dbraw/zinc/02/51/85/1030025185.db2.gz VXPZTQFBROLCEA-QFIPXVFZSA-N 2 1 396.506 4.000 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(F)c(-c3ccccc3)c1)CC[NH2+]CC2 ZINC001222232532 1030025200 /nfs/dbraw/zinc/02/52/00/1030025200.db2.gz VXPZTQFBROLCEA-QFIPXVFZSA-N 2 1 396.506 4.000 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1OCCCOC ZINC001222315405 1030065572 /nfs/dbraw/zinc/06/55/72/1030065572.db2.gz NESOJLYJXXULDT-QFIPXVFZSA-N 2 1 376.541 3.609 20 0 GHADMP Fc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407144 1030110628 /nfs/dbraw/zinc/11/06/28/1030110628.db2.gz DZSLLBSZCFDFGR-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP CC(C)Oc1c(Cl)cc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222408114 1030113319 /nfs/dbraw/zinc/11/33/19/1030113319.db2.gz ZKSFXDVELPQOHU-UHFFFAOYSA-N 2 1 387.351 3.983 20 0 GHADMP CC(C)Oc1c(Cl)cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222408114 1030113325 /nfs/dbraw/zinc/11/33/25/1030113325.db2.gz ZKSFXDVELPQOHU-UHFFFAOYSA-N 2 1 387.351 3.983 20 0 GHADMP C[C@@H]1CC(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC001222574629 1030204266 /nfs/dbraw/zinc/20/42/66/1030204266.db2.gz IJMZELVQXQSHIC-VIZSFHNOSA-N 2 1 386.580 3.993 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3nonc32)cc1 ZINC001222575324 1030206054 /nfs/dbraw/zinc/20/60/54/1030206054.db2.gz NCGNIWQOJNYJQX-FQEVSTJZSA-N 2 1 392.503 3.526 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@@H+]2Cc2cccc3c2OCO3)cc1 ZINC001222582985 1030212439 /nfs/dbraw/zinc/21/24/39/1030212439.db2.gz JEIGVCKTUXGJBO-OAQYLSRUSA-N 2 1 394.515 3.719 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2OCO3)cc1 ZINC001222582985 1030212448 /nfs/dbraw/zinc/21/24/48/1030212448.db2.gz JEIGVCKTUXGJBO-OAQYLSRUSA-N 2 1 394.515 3.719 20 0 GHADMP c1[nH]nc2cc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccc12 ZINC001222590044 1030213925 /nfs/dbraw/zinc/21/39/25/1030213925.db2.gz CQEWMNOPZFMBPF-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2CCN3)cc1 ZINC001222591288 1030218698 /nfs/dbraw/zinc/21/86/98/1030218698.db2.gz UFVHLINCBPSUAK-JOCHJYFZSA-N 2 1 391.559 3.958 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001222979326 1030376885 /nfs/dbraw/zinc/37/68/85/1030376885.db2.gz JGBIFGCJKMEXGF-IRLDBZIGSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC001150921780 1030709468 /nfs/dbraw/zinc/70/94/68/1030709468.db2.gz YUHMDNZWOXNLAW-QAPCUYQASA-N 2 1 386.367 3.833 20 0 GHADMP C[N@@H+]1CCc2cc(Cl)c(O[C@@H]3CC[NH2+]CC(=O)C3)cc2[C@@H](c2ccccc2)C1 ZINC001218194424 1030817929 /nfs/dbraw/zinc/81/79/29/1030817929.db2.gz RDPXGUAZENLDPF-TZIWHRDSSA-N 2 1 398.934 3.660 20 0 GHADMP C[N@H+]1CCc2cc(Cl)c(O[C@@H]3CC[NH2+]CC(=O)C3)cc2[C@@H](c2ccccc2)C1 ZINC001218194424 1030817949 /nfs/dbraw/zinc/81/79/49/1030817949.db2.gz RDPXGUAZENLDPF-TZIWHRDSSA-N 2 1 398.934 3.660 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2C[NH2+]CCC24CC4)c1-3 ZINC001218407518 1030926445 /nfs/dbraw/zinc/92/64/45/1030926445.db2.gz XLCYAVHYAHAGSK-UYAOXDASSA-N 2 1 376.500 3.665 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001224563299 1031048408 /nfs/dbraw/zinc/04/84/08/1031048408.db2.gz KOJJZRRJZBLDHQ-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP Fc1ccccc1C[N@H+]1CCC[C@@H](OC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC001224960726 1031191111 /nfs/dbraw/zinc/19/11/11/1031191111.db2.gz GIFVKDHDXCCZMR-DHIUTWEWSA-N 2 1 398.522 3.708 20 0 GHADMP Fc1ccccc1CN1CCC[C@@H](OC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC001224960726 1031191125 /nfs/dbraw/zinc/19/11/25/1031191125.db2.gz GIFVKDHDXCCZMR-DHIUTWEWSA-N 2 1 398.522 3.708 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H](C[NH3+])c3ccccc3)cccc2[C@@H](c2ccccc2)C1 ZINC001219047010 1031230244 /nfs/dbraw/zinc/23/02/44/1031230244.db2.gz OBSBLUGNBLAUKN-FGZHOGPDSA-N 2 1 385.511 3.945 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)c3ccc4c(n3)CC[NH2+]C4)cccc2[C@@H](c2ccccc2)C1 ZINC001219048839 1031231769 /nfs/dbraw/zinc/23/17/69/1031231769.db2.gz JKFRLRRQFOMBLX-HXUWFJFHSA-N 2 1 398.510 3.557 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219130388 1031265876 /nfs/dbraw/zinc/26/58/76/1031265876.db2.gz RMWZNOSZDIRTJQ-UHFFFAOYSA-N 2 1 379.520 3.655 20 0 GHADMP CN(C)c1cc(NC(=O)N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC001219713441 1031573439 /nfs/dbraw/zinc/57/34/39/1031573439.db2.gz SOUWIMFRFDTZCS-FQEVSTJZSA-N 2 1 381.524 3.666 20 0 GHADMP CN(C)c1cc(NC(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC001219713441 1031573453 /nfs/dbraw/zinc/57/34/53/1031573453.db2.gz SOUWIMFRFDTZCS-FQEVSTJZSA-N 2 1 381.524 3.666 20 0 GHADMP CC[C@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728766 1031580882 /nfs/dbraw/zinc/58/08/82/1031580882.db2.gz GZSYPIKUYHWLFC-FGZHOGPDSA-N 2 1 385.596 3.677 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1)c1ccccc1 ZINC001219787564 1031617390 /nfs/dbraw/zinc/61/73/90/1031617390.db2.gz GWLCSFKXKDGWBT-NFBKMPQASA-N 2 1 396.579 3.577 20 0 GHADMP Cc1cccc2c1C1(C[C@H]2CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC001220062151 1031761620 /nfs/dbraw/zinc/76/16/20/1031761620.db2.gz NYQGKRQQUSUEAK-NHCUHLMSSA-N 2 1 397.607 3.874 20 0 GHADMP C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001220252171 1031861874 /nfs/dbraw/zinc/86/18/74/1031861874.db2.gz QIIYDBNMNULYNT-IGKWTDBASA-N 2 1 393.575 3.850 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001154079200 1031914809 /nfs/dbraw/zinc/91/48/09/1031914809.db2.gz QGAFSXHPCSKYNH-GHTZIAJQSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001154079200 1031914818 /nfs/dbraw/zinc/91/48/18/1031914818.db2.gz QGAFSXHPCSKYNH-GHTZIAJQSA-N 2 1 375.532 3.561 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001220472885 1031955036 /nfs/dbraw/zinc/95/50/36/1031955036.db2.gz MELSNIVVYQKMAL-AVRDEDQJSA-N 2 1 399.583 3.628 20 0 GHADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCC(C)CC1 ZINC001220614427 1032014457 /nfs/dbraw/zinc/01/44/57/1032014457.db2.gz IXNWWICLRAEYEB-YADHBBJMSA-N 2 1 392.632 3.839 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc(OC)c1OCc1ccccc1 ZINC001461834158 1069779211 /nfs/dbraw/zinc/77/92/11/1069779211.db2.gz YCFFYYMNDQYFET-NJDAHSKKSA-N 2 1 396.531 3.713 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001220639243 1032037555 /nfs/dbraw/zinc/03/75/55/1032037555.db2.gz KCIMBNDWENRUSG-OYRHEFFESA-N 2 1 392.632 3.700 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001220639450 1032038520 /nfs/dbraw/zinc/03/85/20/1032038520.db2.gz OFDFMTDAXSIAOA-SJBKTWHCSA-N 2 1 392.632 3.698 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001229185329 1033327475 /nfs/dbraw/zinc/32/74/75/1033327475.db2.gz JTBUIEFQGWXCOG-KJXAQDMKSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001229185329 1033327489 /nfs/dbraw/zinc/32/74/89/1033327489.db2.gz JTBUIEFQGWXCOG-KJXAQDMKSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001229185329 1033327502 /nfs/dbraw/zinc/32/75/02/1033327502.db2.gz JTBUIEFQGWXCOG-KJXAQDMKSA-N 2 1 398.595 3.603 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001205305120 1033350750 /nfs/dbraw/zinc/35/07/50/1033350750.db2.gz RCXAGBCWWGPFPX-PXNSSMCTSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001205305120 1033350756 /nfs/dbraw/zinc/35/07/56/1033350756.db2.gz RCXAGBCWWGPFPX-PXNSSMCTSA-N 2 1 384.520 3.700 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)[NH+](CC)CC)cc1 ZINC001229303321 1033404551 /nfs/dbraw/zinc/40/45/51/1033404551.db2.gz PPTOSNHPOXTEPA-JQVVWYNYSA-N 2 1 388.600 3.756 20 0 GHADMP COC(=O)N1CCC([NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205535746 1033457274 /nfs/dbraw/zinc/45/72/74/1033457274.db2.gz RULVSBHEVSAOEA-QHCPKHFHSA-N 2 1 387.568 3.745 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1C ZINC001205591324 1033483077 /nfs/dbraw/zinc/48/30/77/1033483077.db2.gz KLEQWPWNPQHIGJ-INIZCTEOSA-N 2 1 390.284 3.561 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3CCN(C(=O)OCc4ccccc4)CC3)C2)CC1 ZINC001205697096 1033534583 /nfs/dbraw/zinc/53/45/83/1033534583.db2.gz TWNPDFKYMVGAPB-QHCPKHFHSA-N 2 1 399.579 3.699 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc1 ZINC001205912404 1033632183 /nfs/dbraw/zinc/63/21/83/1033632183.db2.gz ADZJSQCJDFDLIC-YLJYHZDGSA-N 2 1 382.504 3.611 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206025322 1033693318 /nfs/dbraw/zinc/69/33/18/1033693318.db2.gz NLUZSSXGMRNUOU-GHTZIAJQSA-N 2 1 396.531 3.859 20 0 GHADMP C[C@H](CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC001229793696 1033718812 /nfs/dbraw/zinc/71/88/12/1033718812.db2.gz MIKVZPXFRZNNHB-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC001229793696 1033718825 /nfs/dbraw/zinc/71/88/25/1033718825.db2.gz MIKVZPXFRZNNHB-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC001229793696 1033718841 /nfs/dbraw/zinc/71/88/41/1033718841.db2.gz MIKVZPXFRZNNHB-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1[C@H]([NH3+])CCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001157744135 1033749428 /nfs/dbraw/zinc/74/94/28/1033749428.db2.gz KYZLLRNMVDIRPB-DOTOQJQBSA-N 2 1 399.608 3.872 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@@H]([NH3+])[C@H]3C)n2)CCC4)CC1 ZINC001157745368 1033750974 /nfs/dbraw/zinc/75/09/74/1033750974.db2.gz NOMBJAWIEFYXDN-NVXWUHKLSA-N 2 1 399.608 3.728 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(C(C)C)[C@H]3CC[NH2+]C3)c2c1C ZINC001158033073 1033873840 /nfs/dbraw/zinc/87/38/40/1033873840.db2.gz PCMLVACVSDFHTM-KRWDZBQOSA-N 2 1 387.597 3.871 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(F)c(I)c1)[C@H]1CCC[NH2+]CC1 ZINC001206590991 1033917623 /nfs/dbraw/zinc/91/76/23/1033917623.db2.gz OTBLRKIYDGFJAP-AWEZNQCLSA-N 2 1 390.284 3.783 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599537 1033921152 /nfs/dbraw/zinc/92/11/52/1033921152.db2.gz ULAXZDWWLWVEPB-QGZVFWFLSA-N 2 1 384.362 3.984 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599537 1033921156 /nfs/dbraw/zinc/92/11/56/1033921156.db2.gz ULAXZDWWLWVEPB-QGZVFWFLSA-N 2 1 384.362 3.984 20 0 GHADMP CCN(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@@H]1CCC[NH2+]C1 ZINC001158204786 1033962510 /nfs/dbraw/zinc/96/25/10/1033962510.db2.gz KNEZNZYJUVIUDB-MRXNPFEDSA-N 2 1 399.608 3.744 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cc(OC)ccn2)C2CC[NH2+]CC2)nc1 ZINC001158325758 1034024593 /nfs/dbraw/zinc/02/45/93/1034024593.db2.gz ROWUOBGNTWCMIU-OAQYLSRUSA-N 2 1 395.551 3.922 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](Cc3cccc(N)c3)CC2)nc1 ZINC001158485686 1034105579 /nfs/dbraw/zinc/10/55/79/1034105579.db2.gz PEQJOKLJFUSTDW-QFIPXVFZSA-N 2 1 379.552 3.533 20 0 GHADMP FC(F)(F)[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001158551024 1034147394 /nfs/dbraw/zinc/14/73/94/1034147394.db2.gz FLFPDFZLNOUKAA-GOSISDBHSA-N 2 1 387.409 3.520 20 0 GHADMP FC(F)(F)[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001158551024 1034147406 /nfs/dbraw/zinc/14/74/06/1034147406.db2.gz FLFPDFZLNOUKAA-GOSISDBHSA-N 2 1 387.409 3.520 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235839 1034202126 /nfs/dbraw/zinc/20/21/26/1034202126.db2.gz QIJJNVROEVAWNG-OEMFJLHTSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235839 1034202144 /nfs/dbraw/zinc/20/21/44/1034202144.db2.gz QIJJNVROEVAWNG-OEMFJLHTSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235839 1034202159 /nfs/dbraw/zinc/20/21/59/1034202159.db2.gz QIJJNVROEVAWNG-OEMFJLHTSA-N 2 1 379.548 3.831 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235839 1034202175 /nfs/dbraw/zinc/20/21/75/1034202175.db2.gz QIJJNVROEVAWNG-OEMFJLHTSA-N 2 1 379.548 3.831 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235839 1034202192 /nfs/dbraw/zinc/20/21/92/1034202192.db2.gz QIJJNVROEVAWNG-OEMFJLHTSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249197 1034213900 /nfs/dbraw/zinc/21/39/00/1034213900.db2.gz VIKWDTFJLCOEMM-SLFFLAALSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249197 1034213910 /nfs/dbraw/zinc/21/39/10/1034213910.db2.gz VIKWDTFJLCOEMM-SLFFLAALSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249197 1034213928 /nfs/dbraw/zinc/21/39/28/1034213928.db2.gz VIKWDTFJLCOEMM-SLFFLAALSA-N 2 1 379.589 3.972 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001207286425 1034236714 /nfs/dbraw/zinc/23/67/14/1034236714.db2.gz IZBWSOXNGHMKSZ-UHFFFAOYSA-N 2 1 378.564 3.502 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C2(CC2)C1 ZINC001207286382 1034236911 /nfs/dbraw/zinc/23/69/11/1034236911.db2.gz HSFVWEQUFLIARV-UHFFFAOYSA-N 2 1 399.579 3.984 20 0 GHADMP O[C@@]1(C(F)(F)F)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001207286813 1034237682 /nfs/dbraw/zinc/23/76/82/1034237682.db2.gz MWHTVQSBAUPRGM-OALUTQOASA-N 2 1 388.449 3.626 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCC[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288901 1034239046 /nfs/dbraw/zinc/23/90/46/1034239046.db2.gz DUCOTGHOGGLYLJ-YADHBBJMSA-N 2 1 399.579 3.982 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001207291740 1034244305 /nfs/dbraw/zinc/24/43/05/1034244305.db2.gz WQSOCOXZVUPVPD-DNQXCXABSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001207292549 1034245531 /nfs/dbraw/zinc/24/55/31/1034245531.db2.gz UDWMJBWQPQVUOF-DQEYMECFSA-N 2 1 375.560 3.857 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001207293985 1034246755 /nfs/dbraw/zinc/24/67/55/1034246755.db2.gz FYISITLNNUHPLH-DNQXCXABSA-N 2 1 392.543 3.787 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207294976 1034248934 /nfs/dbraw/zinc/24/89/34/1034248934.db2.gz YDZYNLJHOKHFTF-JOCHJYFZSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C[C@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001207367673 1034308940 /nfs/dbraw/zinc/30/89/40/1034308940.db2.gz RGOIJJRGAMSLPY-BHIFYINESA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001207367673 1034308958 /nfs/dbraw/zinc/30/89/58/1034308958.db2.gz RGOIJJRGAMSLPY-BHIFYINESA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C[C@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001207367673 1034308976 /nfs/dbraw/zinc/30/89/76/1034308976.db2.gz RGOIJJRGAMSLPY-BHIFYINESA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C[C@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001207367673 1034308995 /nfs/dbraw/zinc/30/89/95/1034308995.db2.gz RGOIJJRGAMSLPY-BHIFYINESA-N 2 1 399.579 3.758 20 0 GHADMP CC(C)(C)Oc1ccc([C@@H]2CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)cc1 ZINC001158973000 1034363945 /nfs/dbraw/zinc/36/39/45/1034363945.db2.gz QKKATCCNOUKXLW-GOSISDBHSA-N 2 1 395.551 3.575 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cc1 ZINC001207479190 1034390456 /nfs/dbraw/zinc/39/04/56/1034390456.db2.gz NXXVNYGRDBRFKY-UHFFFAOYSA-N 2 1 394.559 3.913 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001231105520 1034400964 /nfs/dbraw/zinc/40/09/64/1034400964.db2.gz GAQMZDNZPBHBFO-NRFANRHFSA-N 2 1 390.616 3.834 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCc1cccc(C)c1)CC2 ZINC001207535039 1034439250 /nfs/dbraw/zinc/43/92/50/1034439250.db2.gz TWUOEPXNSMYOIL-DEOSSOPVSA-N 2 1 393.575 3.936 20 0 GHADMP Cc1cccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001207538119 1034442161 /nfs/dbraw/zinc/44/21/61/1034442161.db2.gz XFTGINZSJZVWKP-DQEYMECFSA-N 2 1 382.592 3.998 20 0 GHADMP Cc1cccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001207538119 1034442175 /nfs/dbraw/zinc/44/21/75/1034442175.db2.gz XFTGINZSJZVWKP-DQEYMECFSA-N 2 1 382.592 3.998 20 0 GHADMP Cc1cccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001207538119 1034442181 /nfs/dbraw/zinc/44/21/81/1034442181.db2.gz XFTGINZSJZVWKP-DQEYMECFSA-N 2 1 382.592 3.998 20 0 GHADMP COc1ccc(CCC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC001207580789 1034462395 /nfs/dbraw/zinc/46/23/95/1034462395.db2.gz WWIRJSISORPNKS-UHFFFAOYSA-N 2 1 394.559 3.995 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCc3cccc(Cl)c3)CC2)C1 ZINC001207593615 1034471722 /nfs/dbraw/zinc/47/17/22/1034471722.db2.gz JBTWRJCZIFWVGC-GOSISDBHSA-N 2 1 378.944 3.622 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCCc3cccc(Cl)c3)CC2)C1 ZINC001207593615 1034471730 /nfs/dbraw/zinc/47/17/30/1034471730.db2.gz JBTWRJCZIFWVGC-GOSISDBHSA-N 2 1 378.944 3.622 20 0 GHADMP Clc1ccc(CCC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207598685 1034476071 /nfs/dbraw/zinc/47/60/71/1034476071.db2.gz KUANRNVSGRLOPK-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP Clc1ccc(CCC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207598685 1034476084 /nfs/dbraw/zinc/47/60/84/1034476084.db2.gz KUANRNVSGRLOPK-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620256 1034491703 /nfs/dbraw/zinc/49/17/03/1034491703.db2.gz LDPKBATYYXLLLQ-ZGXWSNOMSA-N 2 1 387.593 3.658 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001207767770 1034565083 /nfs/dbraw/zinc/56/50/83/1034565083.db2.gz FJUZSHPQNSIIGZ-DEOSSOPVSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001207767770 1034565090 /nfs/dbraw/zinc/56/50/90/1034565090.db2.gz FJUZSHPQNSIIGZ-DEOSSOPVSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001207767770 1034565101 /nfs/dbraw/zinc/56/51/01/1034565101.db2.gz FJUZSHPQNSIIGZ-DEOSSOPVSA-N 2 1 399.579 3.841 20 0 GHADMP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC001159391320 1034576074 /nfs/dbraw/zinc/57/60/74/1034576074.db2.gz QVOHYKKSLRJXGR-JBACZVJFSA-N 2 1 393.579 3.804 20 0 GHADMP C[C@@H](Cc1ccc(O)cc1)Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001207812218 1034589708 /nfs/dbraw/zinc/58/97/08/1034589708.db2.gz BABDOGPGBLFDMZ-KRWDZBQOSA-N 2 1 376.504 3.735 20 0 GHADMP CCc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)s1 ZINC001231498316 1034641545 /nfs/dbraw/zinc/64/15/45/1034641545.db2.gz CYSZPZLEURCODJ-STZQEDGTSA-N 2 1 392.609 3.791 20 0 GHADMP C[C@@H](C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2)c1ccccc1 ZINC001207904841 1034646363 /nfs/dbraw/zinc/64/63/63/1034646363.db2.gz GYPOYIVRJSNLGE-NRFANRHFSA-N 2 1 379.548 3.800 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516694 1034666097 /nfs/dbraw/zinc/66/60/97/1034666097.db2.gz KSHZEVGALWUUCH-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1(C)CCOCC1)CC2 ZINC001207967574 1034684404 /nfs/dbraw/zinc/68/44/04/1034684404.db2.gz UPCRIBNRAZHLNW-GOSISDBHSA-N 2 1 378.582 3.620 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cn1 ZINC001231535906 1034690763 /nfs/dbraw/zinc/69/07/63/1034690763.db2.gz YCHSPEOUFCHJBL-FQEVSTJZSA-N 2 1 399.535 3.717 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+](C2CCC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208115758 1034742816 /nfs/dbraw/zinc/74/28/16/1034742816.db2.gz MQDRKCBWZUPKBD-LJQANCHMSA-N 2 1 379.589 3.972 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(Nc2cc(C[NH+](CC)CC)ccc2F)cc1 ZINC001159845124 1034760555 /nfs/dbraw/zinc/76/05/55/1034760555.db2.gz AOTVFQRSLHGZKH-FQEVSTJZSA-N 2 1 387.499 3.844 20 0 GHADMP Nc1cc(F)ccc1N(C1=CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160093556 1034855772 /nfs/dbraw/zinc/85/57/72/1034855772.db2.gz NISSBQCMVXSWMB-UHFFFAOYSA-N 2 1 380.511 3.756 20 0 GHADMP c1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160218909 1034905239 /nfs/dbraw/zinc/90/52/39/1034905239.db2.gz GTYIVAIOJSLPAO-QHCPKHFHSA-N 2 1 393.531 3.882 20 0 GHADMP COc1cccc([C@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c2ccccc2)c1 ZINC001160347143 1034947910 /nfs/dbraw/zinc/94/79/10/1034947910.db2.gz XOALXFFFQCGRAA-JOCHJYFZSA-N 2 1 389.503 3.614 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001208630899 1034960656 /nfs/dbraw/zinc/96/06/56/1034960656.db2.gz IVPSSRXZNWGIGL-QHHCOUFXSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001208630899 1034960660 /nfs/dbraw/zinc/96/06/60/1034960660.db2.gz IVPSSRXZNWGIGL-QHHCOUFXSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001208630899 1034960661 /nfs/dbraw/zinc/96/06/61/1034960661.db2.gz IVPSSRXZNWGIGL-QHHCOUFXSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001208630899 1034960666 /nfs/dbraw/zinc/96/06/66/1034960666.db2.gz IVPSSRXZNWGIGL-QHHCOUFXSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001208632207 1034961627 /nfs/dbraw/zinc/96/16/27/1034961627.db2.gz LIECNKDBBHLZEV-UAPYVXQJSA-N 2 1 376.516 3.701 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001208632207 1034961629 /nfs/dbraw/zinc/96/16/29/1034961629.db2.gz LIECNKDBBHLZEV-UAPYVXQJSA-N 2 1 376.516 3.701 20 0 GHADMP FC(F)c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccn1 ZINC001231890320 1034971114 /nfs/dbraw/zinc/97/11/14/1034971114.db2.gz JENIIUNTRLTERN-UHFFFAOYSA-N 2 1 387.474 3.886 20 0 GHADMP C[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1)OCc1ccccc1 ZINC001208701712 1034985739 /nfs/dbraw/zinc/98/57/39/1034985739.db2.gz IFEULNZPGNNRBV-NRFANRHFSA-N 2 1 379.548 3.975 20 0 GHADMP [NH3+]C[C@@]1(Nc2cnc(-c3ccccc3)c(-c3ccccc3)n2)C[NH+]2CCC1CC2 ZINC001160512872 1034992454 /nfs/dbraw/zinc/99/24/54/1034992454.db2.gz ZOLNXPQUYAXMOO-XMMPIXPASA-N 2 1 385.515 3.646 20 0 GHADMP CC(C)Oc1ncccc1CCN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001208790221 1035022691 /nfs/dbraw/zinc/02/26/91/1035022691.db2.gz BQCFTHNUDFJRJI-GOSISDBHSA-N 2 1 385.556 3.525 20 0 GHADMP C[C@@H]1COCC[N@H+]1CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208814420 1035035997 /nfs/dbraw/zinc/03/59/97/1035035997.db2.gz FHWJGDAJJLQTKL-GOSISDBHSA-N 2 1 388.552 3.575 20 0 GHADMP CO[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)C1 ZINC001208817820 1035037623 /nfs/dbraw/zinc/03/76/23/1035037623.db2.gz PDWWQPJMFZNGQF-OAQYLSRUSA-N 2 1 388.552 3.575 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232012885 1035043223 /nfs/dbraw/zinc/04/32/23/1035043223.db2.gz VWGDCROSEAXIKK-GHTZIAJQSA-N 2 1 388.487 3.734 20 0 GHADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c(C(F)(F)F)n1 ZINC001232087408 1035087179 /nfs/dbraw/zinc/08/71/79/1035087179.db2.gz XQLPRIGNOZGILL-UHFFFAOYSA-N 2 1 398.498 3.989 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208933288 1035096338 /nfs/dbraw/zinc/09/63/38/1035096338.db2.gz CTVLSSYQNBRRIB-RPWUZVMVSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208933288 1035096348 /nfs/dbraw/zinc/09/63/48/1035096348.db2.gz CTVLSSYQNBRRIB-RPWUZVMVSA-N 2 1 398.591 3.949 20 0 GHADMP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935783 1035102251 /nfs/dbraw/zinc/10/22/51/1035102251.db2.gz LOUKEGNPGRFUBG-DHIUTWEWSA-N 2 1 383.580 3.623 20 0 GHADMP O=C([C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935783 1035102254 /nfs/dbraw/zinc/10/22/54/1035102254.db2.gz LOUKEGNPGRFUBG-DHIUTWEWSA-N 2 1 383.580 3.623 20 0 GHADMP O=C([C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935783 1035102260 /nfs/dbraw/zinc/10/22/60/1035102260.db2.gz LOUKEGNPGRFUBG-DHIUTWEWSA-N 2 1 383.580 3.623 20 0 GHADMP COc1ccc(OC2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208939517 1035108016 /nfs/dbraw/zinc/10/80/16/1035108016.db2.gz CHPXDIHEFNSCIF-NRFANRHFSA-N 2 1 395.547 3.846 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940838 1035109303 /nfs/dbraw/zinc/10/93/03/1035109303.db2.gz HBSLOQJPMLAKIK-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940838 1035109310 /nfs/dbraw/zinc/10/93/10/1035109310.db2.gz HBSLOQJPMLAKIK-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940838 1035109317 /nfs/dbraw/zinc/10/93/17/1035109317.db2.gz HBSLOQJPMLAKIK-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940838 1035109324 /nfs/dbraw/zinc/10/93/24/1035109324.db2.gz HBSLOQJPMLAKIK-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941569 1035109939 /nfs/dbraw/zinc/10/99/39/1035109939.db2.gz LXTNWIXOBIOWCY-BDTNDASRSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941569 1035109946 /nfs/dbraw/zinc/10/99/46/1035109946.db2.gz LXTNWIXOBIOWCY-BDTNDASRSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941569 1035109950 /nfs/dbraw/zinc/10/99/50/1035109950.db2.gz LXTNWIXOBIOWCY-BDTNDASRSA-N 2 1 399.579 3.982 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)N1c1ccccc1 ZINC001208942902 1035113953 /nfs/dbraw/zinc/11/39/53/1035113953.db2.gz FOUSKNCQBUZFFV-GMKZXUHWSA-N 2 1 389.543 3.778 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)N1c1ccccc1 ZINC001208942902 1035113957 /nfs/dbraw/zinc/11/39/57/1035113957.db2.gz FOUSKNCQBUZFFV-GMKZXUHWSA-N 2 1 389.543 3.778 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N1c1ccccc1 ZINC001208942902 1035113961 /nfs/dbraw/zinc/11/39/61/1035113961.db2.gz FOUSKNCQBUZFFV-GMKZXUHWSA-N 2 1 389.543 3.778 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208943908 1035114067 /nfs/dbraw/zinc/11/40/67/1035114067.db2.gz WMIQWBVVSZCVRY-ZJSXRUAMSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943908 1035114069 /nfs/dbraw/zinc/11/40/69/1035114069.db2.gz WMIQWBVVSZCVRY-ZJSXRUAMSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943908 1035114071 /nfs/dbraw/zinc/11/40/71/1035114071.db2.gz WMIQWBVVSZCVRY-ZJSXRUAMSA-N 2 1 399.579 3.841 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944570 1035114849 /nfs/dbraw/zinc/11/48/49/1035114849.db2.gz LCZCWISHPOYCIZ-KMDXXIMOSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944570 1035114854 /nfs/dbraw/zinc/11/48/54/1035114854.db2.gz LCZCWISHPOYCIZ-KMDXXIMOSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944570 1035114857 /nfs/dbraw/zinc/11/48/57/1035114857.db2.gz LCZCWISHPOYCIZ-KMDXXIMOSA-N 2 1 384.564 3.559 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208946720 1035116616 /nfs/dbraw/zinc/11/66/16/1035116616.db2.gz WEJSGVRVOVWUCV-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208951217 1035122143 /nfs/dbraw/zinc/12/21/43/1035122143.db2.gz ZWIRYGWJSCZFGZ-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951217 1035122145 /nfs/dbraw/zinc/12/21/45/1035122145.db2.gz ZWIRYGWJSCZFGZ-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951217 1035122147 /nfs/dbraw/zinc/12/21/47/1035122147.db2.gz ZWIRYGWJSCZFGZ-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001232147828 1035126526 /nfs/dbraw/zinc/12/65/26/1035126526.db2.gz MIKHBLBRCHQTCZ-HSZRJFAPSA-N 2 1 399.485 3.655 20 0 GHADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)c1ccccc1 ZINC001161057477 1035127463 /nfs/dbraw/zinc/12/74/63/1035127463.db2.gz YEBIGFZSZZZYOU-GOTSBHOMSA-N 2 1 377.532 3.603 20 0 GHADMP CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232150101 1035129215 /nfs/dbraw/zinc/12/92/15/1035129215.db2.gz SNXWUBKGOFXFTB-LJQANCHMSA-N 2 1 379.520 3.719 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001208959495 1035131831 /nfs/dbraw/zinc/13/18/31/1035131831.db2.gz RJQKNPWVPVCSTA-PMOQBDJRSA-N 2 1 396.506 3.536 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001208959495 1035131835 /nfs/dbraw/zinc/13/18/35/1035131835.db2.gz RJQKNPWVPVCSTA-PMOQBDJRSA-N 2 1 396.506 3.536 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001208959495 1035131841 /nfs/dbraw/zinc/13/18/41/1035131841.db2.gz RJQKNPWVPVCSTA-PMOQBDJRSA-N 2 1 396.506 3.536 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001209010392 1035148765 /nfs/dbraw/zinc/14/87/65/1035148765.db2.gz ALJWNSVYNLQXKV-MLCQCVOFSA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001209010392 1035148767 /nfs/dbraw/zinc/14/87/67/1035148767.db2.gz ALJWNSVYNLQXKV-MLCQCVOFSA-N 2 1 384.564 3.810 20 0 GHADMP Cc1scnc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001232201554 1035158124 /nfs/dbraw/zinc/15/81/24/1035158124.db2.gz LKLMTVCHAYFKNK-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1scnc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001232201554 1035158130 /nfs/dbraw/zinc/15/81/30/1035158130.db2.gz LKLMTVCHAYFKNK-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP c1cn(C2CCCC2)c2nc[nH+]c(NC3CC[NH+](CC4CCOCC4)CC3)c12 ZINC001161212538 1035181579 /nfs/dbraw/zinc/18/15/79/1035181579.db2.gz RXYDUXCTYIUYEX-UHFFFAOYSA-N 2 1 383.540 3.849 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NCC2CC[NH+](C3CCOCC3)CC2)nc1 ZINC001161240818 1035188944 /nfs/dbraw/zinc/18/89/44/1035188944.db2.gz DSIBKXDTZZWVDE-JOCHJYFZSA-N 2 1 386.584 3.931 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCCc1cccnc1)CC2 ZINC001209175187 1035200495 /nfs/dbraw/zinc/20/04/95/1035200495.db2.gz QNNYGBQOJKZPNC-QHCPKHFHSA-N 2 1 379.548 3.770 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367377 1035255823 /nfs/dbraw/zinc/25/58/23/1035255823.db2.gz MLWJJXJLQXLFNA-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367377 1035255827 /nfs/dbraw/zinc/25/58/27/1035255827.db2.gz MLWJJXJLQXLFNA-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367377 1035255831 /nfs/dbraw/zinc/25/58/31/1035255831.db2.gz MLWJJXJLQXLFNA-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@@H]1CC(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@@H](C)O1 ZINC001209383596 1035264905 /nfs/dbraw/zinc/26/49/05/1035264905.db2.gz XHHJYEGBIBGEHZ-XUFREYRYSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]1CC(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)C[C@@H](C)O1 ZINC001209383596 1035264908 /nfs/dbraw/zinc/26/49/08/1035264908.db2.gz XHHJYEGBIBGEHZ-XUFREYRYSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]1CC(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)C[C@@H](C)O1 ZINC001209383596 1035264911 /nfs/dbraw/zinc/26/49/11/1035264911.db2.gz XHHJYEGBIBGEHZ-XUFREYRYSA-N 2 1 390.612 3.651 20 0 GHADMP COC1CCC(C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001209390646 1035266298 /nfs/dbraw/zinc/26/62/98/1035266298.db2.gz ABDMHYYIRKEMOU-MNLRITNHSA-N 2 1 393.522 3.820 20 0 GHADMP COC1CCC(C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CC1 ZINC001209390646 1035266308 /nfs/dbraw/zinc/26/63/08/1035266308.db2.gz ABDMHYYIRKEMOU-MNLRITNHSA-N 2 1 393.522 3.820 20 0 GHADMP COC1CCC(C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001209390646 1035266315 /nfs/dbraw/zinc/26/63/15/1035266315.db2.gz ABDMHYYIRKEMOU-MNLRITNHSA-N 2 1 393.522 3.820 20 0 GHADMP COC1CCC(C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001209390646 1035266325 /nfs/dbraw/zinc/26/63/25/1035266325.db2.gz ABDMHYYIRKEMOU-MNLRITNHSA-N 2 1 393.522 3.820 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451077 1035276942 /nfs/dbraw/zinc/27/69/42/1035276942.db2.gz ZKUQILURBFGHTF-RXVVDRJESA-N 2 1 383.552 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451077 1035276946 /nfs/dbraw/zinc/27/69/46/1035276946.db2.gz ZKUQILURBFGHTF-RXVVDRJESA-N 2 1 383.552 3.533 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc(F)c1O ZINC001209527281 1035304033 /nfs/dbraw/zinc/30/40/33/1035304033.db2.gz WJUVTTNSVBZQNU-UHFFFAOYSA-N 2 1 399.510 3.812 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(F)c1O ZINC001209538605 1035308093 /nfs/dbraw/zinc/30/80/93/1035308093.db2.gz WMCYSECCKFJDKG-VQTJNVASSA-N 2 1 384.495 3.884 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c4ccccc4nn3C)C[C@@H]21 ZINC001209537892 1035308185 /nfs/dbraw/zinc/30/81/85/1035308185.db2.gz ZCJZOJZMIJEGGW-AVCGJXAMSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209537892 1035308191 /nfs/dbraw/zinc/30/81/91/1035308191.db2.gz ZCJZOJZMIJEGGW-AVCGJXAMSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209537892 1035308199 /nfs/dbraw/zinc/30/81/99/1035308199.db2.gz ZCJZOJZMIJEGGW-AVCGJXAMSA-N 2 1 389.547 3.701 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001241760357 1035683045 /nfs/dbraw/zinc/68/30/45/1035683045.db2.gz FEYYUGSBKOTIRD-DEOSSOPVSA-N 2 1 396.531 3.651 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC001241877658 1035736276 /nfs/dbraw/zinc/73/62/76/1035736276.db2.gz UBLMGOJXRHGIHX-IBGZPJMESA-N 2 1 392.547 3.511 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC001241877658 1035736294 /nfs/dbraw/zinc/73/62/94/1035736294.db2.gz UBLMGOJXRHGIHX-IBGZPJMESA-N 2 1 392.547 3.511 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1 ZINC001248333251 1035760348 /nfs/dbraw/zinc/76/03/48/1035760348.db2.gz BLDIATJPCYRVQZ-HXUWFJFHSA-N 2 1 375.476 3.505 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1 ZINC001248333251 1035760362 /nfs/dbraw/zinc/76/03/62/1035760362.db2.gz BLDIATJPCYRVQZ-HXUWFJFHSA-N 2 1 375.476 3.505 20 0 GHADMP c1ccc(C[N@@H+]2CCc3c(ccnc3-c3ccc(CN4CC[NH2+]CC4)cc3)C2)cc1 ZINC001241977398 1035772220 /nfs/dbraw/zinc/77/22/20/1035772220.db2.gz TZVHTIIEWRXGJV-UHFFFAOYSA-N 2 1 398.554 3.712 20 0 GHADMP CCCc1ccc(-c2ccc(-c3noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n3)cc2)cc1 ZINC001248638604 1036020597 /nfs/dbraw/zinc/02/05/97/1036020597.db2.gz FHORFFQYFIRBAJ-IBGZPJMESA-N 2 1 392.507 3.619 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246031319 1037147056 /nfs/dbraw/zinc/14/70/56/1037147056.db2.gz PSRSJULLFIKSFJ-QPPBQGQZSA-N 2 1 382.548 3.825 20 0 GHADMP CC(C)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246036568 1037151502 /nfs/dbraw/zinc/15/15/02/1037151502.db2.gz RQAINQHVTGOIRF-ICDZXHCJSA-N 2 1 394.559 3.629 20 0 GHADMP [NH3+]C[C@@H]1CC[N@H+](C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246056827 1037170583 /nfs/dbraw/zinc/17/05/83/1037170583.db2.gz QNIPYCINNBLSIE-BUXKBTBVSA-N 2 1 377.315 3.879 20 0 GHADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246056827 1037170598 /nfs/dbraw/zinc/17/05/98/1037170598.db2.gz QNIPYCINNBLSIE-BUXKBTBVSA-N 2 1 377.315 3.879 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001246063630 1037175838 /nfs/dbraw/zinc/17/58/38/1037175838.db2.gz AUPGCYUHGWOALH-NJDAHSKKSA-N 2 1 388.939 3.852 20 0 GHADMP Cc1ccccc1C[N@@H+](C[C@@H](O)COc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246070326 1037186499 /nfs/dbraw/zinc/18/64/99/1037186499.db2.gz NGJBWLAEJRYFEG-YPAWHYETSA-N 2 1 386.511 3.646 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123981 1037205264 /nfs/dbraw/zinc/20/52/64/1037205264.db2.gz WBMYITFETNHYHO-NZQKXSOJSA-N 3 1 395.566 3.848 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N[C@@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148959 1037216155 /nfs/dbraw/zinc/21/61/55/1037216155.db2.gz ORLFKJWHZDQVBW-OPOYRNPBSA-N 3 1 387.571 3.559 20 0 GHADMP CC1(C)C[C@@H](N[C@H](C2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246195888 1037231491 /nfs/dbraw/zinc/23/14/91/1037231491.db2.gz USFOALAIDPFLNR-RBUKOAKNSA-N 2 1 383.502 3.950 20 0 GHADMP O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246207494 1037238965 /nfs/dbraw/zinc/23/89/65/1037238965.db2.gz AOWBSRZRMNGCAM-LSQMVHIFSA-N 2 1 392.543 3.853 20 0 GHADMP [NH3+]C/C=C/C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246364903 1037324485 /nfs/dbraw/zinc/32/44/85/1037324485.db2.gz VEVHRXANFKZRMU-XMQJERPOSA-N 3 1 375.560 3.856 20 0 GHADMP COc1ccc(C2(N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246381477 1037340959 /nfs/dbraw/zinc/34/09/59/1037340959.db2.gz RZTSTANZZZDJSM-NZQKXSOJSA-N 2 1 393.575 3.917 20 0 GHADMP COc1cccc(CC2(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246382195 1037343558 /nfs/dbraw/zinc/34/35/58/1037343558.db2.gz ZELIIBJNPNRWSZ-LADGPHEKSA-N 3 1 393.575 3.690 20 0 GHADMP COc1ccc(CC2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC[NH2+]CC2)cc1 ZINC001246388773 1037348536 /nfs/dbraw/zinc/34/85/36/1037348536.db2.gz OEDPOOFJKSJBKF-NRFANRHFSA-N 3 1 385.596 3.604 20 0 GHADMP COc1ccc(CC2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]CC2)cc1 ZINC001246388773 1037348556 /nfs/dbraw/zinc/34/85/56/1037348556.db2.gz OEDPOOFJKSJBKF-NRFANRHFSA-N 3 1 385.596 3.604 20 0 GHADMP COc1ccc(CC2(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246389660 1037349249 /nfs/dbraw/zinc/34/92/49/1037349249.db2.gz QJOJTCUNFFYLIV-ISKFKSNPSA-N 3 1 393.575 3.690 20 0 GHADMP Clc1ccc(CC2(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391731 1037351160 /nfs/dbraw/zinc/35/11/60/1037351160.db2.gz OMDIXSSAONGCIZ-JOCHJYFZSA-N 2 1 383.967 3.869 20 0 GHADMP Clc1ccc(CC2([NH2+][C@@H]3CCN(Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246391731 1037351176 /nfs/dbraw/zinc/35/11/76/1037351176.db2.gz OMDIXSSAONGCIZ-JOCHJYFZSA-N 2 1 383.967 3.869 20 0 GHADMP FC(F)(F)c1ccc(C2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246419008 1037374354 /nfs/dbraw/zinc/37/43/54/1037374354.db2.gz BVVWAOJWSFZJEK-OALUTQOASA-N 2 1 381.486 3.796 20 0 GHADMP COc1ccccc1CC1(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246424651 1037382433 /nfs/dbraw/zinc/38/24/33/1037382433.db2.gz HEILAZUWJGJWRT-NZQKXSOJSA-N 2 1 393.575 3.613 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246428528 1037386877 /nfs/dbraw/zinc/38/68/77/1037386877.db2.gz AGMNIGRCPDPSBV-MAUKXSAKSA-N 2 1 398.469 3.996 20 0 GHADMP Fc1ccccc1C1([NH2+][C@H]2Cc3ccc(Br)cc3C2)CC[NH2+]CC1 ZINC001246435329 1037396867 /nfs/dbraw/zinc/39/68/67/1037396867.db2.gz HHAVORUEXFBVFJ-KRWDZBQOSA-N 2 1 389.312 3.924 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246441457 1037403126 /nfs/dbraw/zinc/40/31/26/1037403126.db2.gz HMAYQBQAMGAEFX-AXUOBQJMSA-N 3 1 380.374 3.662 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC[NH2+]1 ZINC001246468318 1037420090 /nfs/dbraw/zinc/42/00/90/1037420090.db2.gz WYYUMKSKGVSGEW-ROUUACIJSA-N 2 1 381.499 3.936 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC[NH2+]1 ZINC001246467098 1037420981 /nfs/dbraw/zinc/42/09/81/1037420981.db2.gz SCAKEGHNILZCHV-LPHOPBHVSA-N 2 1 381.499 3.792 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246492316 1037436878 /nfs/dbraw/zinc/43/68/78/1037436878.db2.gz VDRHCIDRPYVFPN-SCWSEQNSSA-N 2 1 376.903 3.946 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCCC4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246525372 1037457952 /nfs/dbraw/zinc/45/79/52/1037457952.db2.gz WPAODFARBHYZRI-UHFFFAOYSA-N 2 1 392.385 3.884 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246535123 1037466668 /nfs/dbraw/zinc/46/66/68/1037466668.db2.gz VXGBYMGJUWFIFC-VEXUSMLFSA-N 2 1 381.539 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246535123 1037466682 /nfs/dbraw/zinc/46/66/82/1037466682.db2.gz VXGBYMGJUWFIFC-VEXUSMLFSA-N 2 1 381.539 3.695 20 0 GHADMP C[C@@H]1CN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001246533299 1037467639 /nfs/dbraw/zinc/46/76/39/1037467639.db2.gz MHWIQZXXBUXKGR-QKYMMTCKSA-N 2 1 377.576 3.945 20 0 GHADMP N[C@H]1C[N@@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1F ZINC001246532946 1037468042 /nfs/dbraw/zinc/46/80/42/1037468042.db2.gz BRDXGXBURTXXBP-MXXWWZHRSA-N 2 1 381.539 3.981 20 0 GHADMP N[C@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1F ZINC001246532946 1037468057 /nfs/dbraw/zinc/46/80/57/1037468057.db2.gz BRDXGXBURTXXBP-MXXWWZHRSA-N 2 1 381.539 3.981 20 0 GHADMP COC(=O)C1C[C@@H]2CC([NH+]3CCC(Cc4cccc(Cl)c4)CC3)C[C@H](C1)[NH2+]2 ZINC001246598875 1037496961 /nfs/dbraw/zinc/49/69/61/1037496961.db2.gz PGXREUYNPUBGIJ-DLIHROTGSA-N 2 1 390.955 3.667 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@@H+]([C@@H]1CCc3cccc(Br)c3C1)C2 ZINC001246636259 1037521897 /nfs/dbraw/zinc/52/18/97/1037521897.db2.gz FZSGOCSFGNEKJK-PBHICJAKSA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@H+]([C@@H]1CCc3cccc(Br)c3C1)C2 ZINC001246636259 1037521926 /nfs/dbraw/zinc/52/19/26/1037521926.db2.gz FZSGOCSFGNEKJK-PBHICJAKSA-N 2 1 385.296 3.627 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246653972 1037528705 /nfs/dbraw/zinc/52/87/05/1037528705.db2.gz GCHPYLYTBQRCOC-DLRXZHIHSA-N 2 1 381.486 3.512 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+]([C@@H](C)CC(C)(C)SC)C2 ZINC001246665851 1037535772 /nfs/dbraw/zinc/53/57/72/1037535772.db2.gz IWRQGTWTOQMBJH-XGHQBKJUSA-N 2 1 382.614 3.552 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246696361 1037553177 /nfs/dbraw/zinc/55/31/77/1037553177.db2.gz LSIDDFCUGCAUES-IZZQQSIFSA-N 2 1 380.374 3.880 20 0 GHADMP Cn1cnc2c1cc(C1CC[NH+]([C@@H]3CCCC[NH2+]C3)CC1)nc2-c1ccccc1 ZINC001246698820 1037556830 /nfs/dbraw/zinc/55/68/30/1037556830.db2.gz WXEOQTUORSXJJE-HXUWFJFHSA-N 2 1 389.547 3.957 20 0 GHADMP CC[C@H]1CC(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704036 1037557653 /nfs/dbraw/zinc/55/76/53/1037557653.db2.gz UBYUZYBAIGURSX-OALUTQOASA-N 2 1 391.625 3.724 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725511 1037575798 /nfs/dbraw/zinc/57/57/98/1037575798.db2.gz ZRFUSVAUDMIPLD-KCZVDYSFSA-N 2 1 389.609 3.987 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246755646 1037594977 /nfs/dbraw/zinc/59/49/77/1037594977.db2.gz QIARUZYNEUFGJE-ADAARDCZSA-N 2 1 378.564 3.968 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246754102 1037595243 /nfs/dbraw/zinc/59/52/43/1037595243.db2.gz NEDUCLVSXADQHU-TXDMCHHCSA-N 2 1 390.575 3.971 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CC[NH2+]1 ZINC001246761876 1037604152 /nfs/dbraw/zinc/60/41/52/1037604152.db2.gz ULEYXXBWRHSNSO-RTTXXZQMSA-N 2 1 387.543 3.889 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763799 1037608041 /nfs/dbraw/zinc/60/80/41/1037608041.db2.gz DXSLJVGTQTZSMI-OKKOYFSCSA-N 3 1 384.612 3.781 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763799 1037608048 /nfs/dbraw/zinc/60/80/48/1037608048.db2.gz DXSLJVGTQTZSMI-OKKOYFSCSA-N 3 1 384.612 3.781 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763799 1037608064 /nfs/dbraw/zinc/60/80/64/1037608064.db2.gz DXSLJVGTQTZSMI-OKKOYFSCSA-N 3 1 384.612 3.781 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763799 1037608074 /nfs/dbraw/zinc/60/80/74/1037608074.db2.gz DXSLJVGTQTZSMI-OKKOYFSCSA-N 3 1 384.612 3.781 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763799 1037608094 /nfs/dbraw/zinc/60/80/94/1037608094.db2.gz DXSLJVGTQTZSMI-OKKOYFSCSA-N 3 1 384.612 3.781 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)cc1 ZINC001246779976 1037618263 /nfs/dbraw/zinc/61/82/63/1037618263.db2.gz PJKVVJYBNZFCCD-GIFXNVAJSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)cc1 ZINC001246779976 1037618282 /nfs/dbraw/zinc/61/82/82/1037618282.db2.gz PJKVVJYBNZFCCD-GIFXNVAJSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246778844 1037618484 /nfs/dbraw/zinc/61/84/84/1037618484.db2.gz ODKBFBYROGRJPE-JTHBVZDNSA-N 2 1 381.564 3.879 20 0 GHADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246841122 1037667793 /nfs/dbraw/zinc/66/77/93/1037667793.db2.gz TTWOLXVSRUGDMA-VJBMBRPKSA-N 2 1 382.548 3.895 20 0 GHADMP Brc1cccc2c1C[C@@H]([N@H+]1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246880004 1037694287 /nfs/dbraw/zinc/69/42/87/1037694287.db2.gz OAPBYBQDMXEAEE-DXIQSLLYSA-N 2 1 397.360 3.779 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246892476 1037707517 /nfs/dbraw/zinc/70/75/17/1037707517.db2.gz RLRAFYZKPSJQKB-MHIUNMELSA-N 2 1 385.596 3.904 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246914784 1037720706 /nfs/dbraw/zinc/72/07/06/1037720706.db2.gz CNBUHEUFURIDPH-JSXRDJHFSA-N 2 1 376.516 3.890 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@H]5C[NH2+]C[C@@H]54)C[C@@H]23)cc1 ZINC001246922865 1037728832 /nfs/dbraw/zinc/72/88/32/1037728832.db2.gz XEKUXHGOTALNJN-MMXJFWRNSA-N 2 1 387.571 3.655 20 0 GHADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCC2(CCCCC2)C1 ZINC001246940392 1037745793 /nfs/dbraw/zinc/74/57/93/1037745793.db2.gz CUMPPPZOCASGHV-HSZRJFAPSA-N 2 1 391.644 3.903 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CC1 ZINC001246946446 1037749237 /nfs/dbraw/zinc/74/92/37/1037749237.db2.gz NBGUGHOZWQQPSN-LJQANCHMSA-N 2 1 393.959 3.905 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246953667 1037759732 /nfs/dbraw/zinc/75/97/32/1037759732.db2.gz CHMJMFAOOIHESB-IEBWSBKVSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C2CC[NH2+]CC2)c1 ZINC001246956898 1037768459 /nfs/dbraw/zinc/76/84/59/1037768459.db2.gz IJGDJMGYAASSNJ-JOCHJYFZSA-N 2 1 398.934 3.848 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246958543 1037774327 /nfs/dbraw/zinc/77/43/27/1037774327.db2.gz SEXJHCYLATXHDY-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP COc1ccc(C[N@H+]([C@@H](C)CCC(=O)OC(C)C)C2CC[NH2+]CC2)cc1F ZINC001246958769 1037775041 /nfs/dbraw/zinc/77/50/41/1037775041.db2.gz GXPCDTLMGZOVRA-INIZCTEOSA-N 2 1 380.504 3.509 20 0 GHADMP COc1ccc(C[N@@H+]([C@@H](C)CCC(=O)OC(C)C)C2CC[NH2+]CC2)cc1F ZINC001246958769 1037775061 /nfs/dbraw/zinc/77/50/61/1037775061.db2.gz GXPCDTLMGZOVRA-INIZCTEOSA-N 2 1 380.504 3.509 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246965341 1037786733 /nfs/dbraw/zinc/78/67/33/1037786733.db2.gz PYUDFLXNSJUFCP-NYZKWMLCSA-N 2 1 388.552 3.889 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH+]3CCC(Oc4ncnc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246976900 1037801072 /nfs/dbraw/zinc/80/10/72/1037801072.db2.gz WSHGVBKTBIACRH-AUSIDOKSSA-N 2 1 388.515 3.966 20 0 GHADMP Fc1cccc(N2CCC([NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)CC2)c1 ZINC001247007544 1037832471 /nfs/dbraw/zinc/83/24/71/1037832471.db2.gz XUIGOKULQDMQEI-UHFFFAOYSA-N 2 1 379.523 3.932 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001247009722 1037832732 /nfs/dbraw/zinc/83/27/32/1037832732.db2.gz LKRLFFLBYMEQQQ-QLIIJSOBSA-N 2 1 392.385 3.801 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247008266 1037833054 /nfs/dbraw/zinc/83/30/54/1037833054.db2.gz GBMVJLMMQZMHJT-CRAIPNDOSA-N 2 1 380.374 3.658 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4n[nH]c5c4CCC5)CC3)CC2)c1 ZINC001232428094 1038209284 /nfs/dbraw/zinc/20/92/84/1038209284.db2.gz WHHMYGKNPVGXIU-UHFFFAOYSA-N 2 1 394.563 3.785 20 0 GHADMP C[N@H+]1C[C@@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)OC2(CC[NH2+]CC2)C1 ZINC001247849214 1038424524 /nfs/dbraw/zinc/42/45/24/1038424524.db2.gz IFNLSLJFELHLQY-FQEVSTJZSA-N 2 1 390.487 3.529 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3[nH]nc4cc(F)ccc43)CC2)c2ccccc2[nH+]1 ZINC001233118725 1038905292 /nfs/dbraw/zinc/90/52/92/1038905292.db2.gz AAANESIDSWZMDE-UHFFFAOYSA-N 2 1 375.451 3.881 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(OCc2ccccc2)c1OC ZINC001233252242 1039015614 /nfs/dbraw/zinc/01/56/14/1039015614.db2.gz FPIRPXYSMKERCW-RTWAWAEBSA-N 2 1 396.531 3.666 20 0 GHADMP CC[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001252917193 1039254263 /nfs/dbraw/zinc/25/42/63/1039254263.db2.gz OMEOXIJKDQSUBA-GBXCKJPGSA-N 2 1 382.548 3.585 20 0 GHADMP CC[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001252917193 1039254285 /nfs/dbraw/zinc/25/42/85/1039254285.db2.gz OMEOXIJKDQSUBA-GBXCKJPGSA-N 2 1 382.548 3.585 20 0 GHADMP CC[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001252917193 1039254294 /nfs/dbraw/zinc/25/42/94/1039254294.db2.gz OMEOXIJKDQSUBA-GBXCKJPGSA-N 2 1 382.548 3.585 20 0 GHADMP CC[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001252917193 1039254304 /nfs/dbraw/zinc/25/43/04/1039254304.db2.gz OMEOXIJKDQSUBA-GBXCKJPGSA-N 2 1 382.548 3.585 20 0 GHADMP Brc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cs1 ZINC001233412146 1039262919 /nfs/dbraw/zinc/26/29/19/1039262919.db2.gz KGLJAYIUSLXAIZ-UHFFFAOYSA-N 2 1 387.387 3.835 20 0 GHADMP O[C@@]1(C[NH+]2CCC(n3ccc4ccccc43)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252930854 1039268341 /nfs/dbraw/zinc/26/83/41/1039268341.db2.gz DVRBBCIEQVPMGR-RUZDIDTESA-N 2 1 389.543 3.915 20 0 GHADMP O[C@@]1(C[NH+]2CCC(n3ccc4ccccc43)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252930854 1039268358 /nfs/dbraw/zinc/26/83/58/1039268358.db2.gz DVRBBCIEQVPMGR-RUZDIDTESA-N 2 1 389.543 3.915 20 0 GHADMP O[C@]1(C[NH+]2CCC(Sc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252931089 1039268771 /nfs/dbraw/zinc/26/87/71/1039268771.db2.gz HIRKPODMPZWESQ-QHCPKHFHSA-N 2 1 382.573 3.880 20 0 GHADMP O[C@]1(C[NH+]2CCC(Sc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252931089 1039268781 /nfs/dbraw/zinc/26/87/81/1039268781.db2.gz HIRKPODMPZWESQ-QHCPKHFHSA-N 2 1 382.573 3.880 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252954130 1039297065 /nfs/dbraw/zinc/29/70/65/1039297065.db2.gz QUQWIQMOOMLKQB-HSZRJFAPSA-N 2 1 384.951 3.889 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252954130 1039297078 /nfs/dbraw/zinc/29/70/78/1039297078.db2.gz QUQWIQMOOMLKQB-HSZRJFAPSA-N 2 1 384.951 3.889 20 0 GHADMP C[NH+]1CCC(C2CC[NH+](Cc3cnc4c(Br)cccn34)CC2)CC1 ZINC001233471485 1039361496 /nfs/dbraw/zinc/36/14/96/1039361496.db2.gz HFDYUNZQOVODJA-UHFFFAOYSA-N 2 1 391.357 3.651 20 0 GHADMP COc1cccc(COc2ccc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2)c1 ZINC001462367280 1070204192 /nfs/dbraw/zinc/20/41/92/1070204192.db2.gz LSTQNVOAVYKBDN-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1cccc(COc2ccc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2)c1 ZINC001462367280 1070204203 /nfs/dbraw/zinc/20/42/03/1070204203.db2.gz LSTQNVOAVYKBDN-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP CCC(CC)[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1CCN(Cc2ccccc2)CC1 ZINC001253394745 1039599492 /nfs/dbraw/zinc/59/94/92/1039599492.db2.gz RWEGEDYDZSPLFE-HSZRJFAPSA-N 2 1 389.628 3.891 20 0 GHADMP CCC(CC)N(C[C@H](O)C[NH2+]C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001253394745 1039599502 /nfs/dbraw/zinc/59/95/02/1039599502.db2.gz RWEGEDYDZSPLFE-HSZRJFAPSA-N 2 1 389.628 3.891 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001254003796 1039946385 /nfs/dbraw/zinc/94/63/85/1039946385.db2.gz SEZUYLMIMWVIPD-ACRUOGEOSA-N 2 1 390.568 3.552 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001254003796 1039946386 /nfs/dbraw/zinc/94/63/86/1039946386.db2.gz SEZUYLMIMWVIPD-ACRUOGEOSA-N 2 1 390.568 3.552 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001254003796 1039946387 /nfs/dbraw/zinc/94/63/87/1039946387.db2.gz SEZUYLMIMWVIPD-ACRUOGEOSA-N 2 1 390.568 3.552 20 0 GHADMP OC1(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001254042214 1039971543 /nfs/dbraw/zinc/97/15/43/1039971543.db2.gz BIOZTGLBTHEDJY-HSZRJFAPSA-N 2 1 382.523 3.860 20 0 GHADMP CCC[C@H](C(=O)c1ccccc1)[N@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254043000 1039971786 /nfs/dbraw/zinc/97/17/86/1039971786.db2.gz YFYVZNQQCLSTKR-HSZRJFAPSA-N 2 1 394.559 3.997 20 0 GHADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254043000 1039971794 /nfs/dbraw/zinc/97/17/94/1039971794.db2.gz YFYVZNQQCLSTKR-HSZRJFAPSA-N 2 1 394.559 3.997 20 0 GHADMP Cc1c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)ccc2c[nH+]cn21 ZINC001254448701 1040237719 /nfs/dbraw/zinc/23/77/19/1040237719.db2.gz UUXBATVKJGPQCG-MRXNPFEDSA-N 2 1 378.476 3.616 20 0 GHADMP C[C@H](C[NH+](C)C)Oc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC001234709638 1040241546 /nfs/dbraw/zinc/24/15/46/1040241546.db2.gz NHTYIKZMSLWPNX-SQTZCGGWSA-N 2 1 396.575 3.663 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)CC1 ZINC001254532098 1040303636 /nfs/dbraw/zinc/30/36/36/1040303636.db2.gz OYSMQNLSOGWWQM-QGZVFWFLSA-N 2 1 379.342 3.703 20 0 GHADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3cccc(Cl)c3nc1Cl)C2 ZINC001278802001 1040435580 /nfs/dbraw/zinc/43/55/80/1040435580.db2.gz DSOPBFBAGLIKLQ-PBHICJAKSA-N 2 1 393.362 3.609 20 0 GHADMP Clc1ccc(Cn2cc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c3ccccc32)cc1 ZINC001234971682 1040473533 /nfs/dbraw/zinc/47/35/33/1040473533.db2.gz RNMGUALSURLSSO-WZONZLPQSA-N 2 1 395.934 3.763 20 0 GHADMP Clc1ccc(Cn2cc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c3ccccc32)cc1 ZINC001234971682 1040473544 /nfs/dbraw/zinc/47/35/44/1040473544.db2.gz RNMGUALSURLSSO-WZONZLPQSA-N 2 1 395.934 3.763 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)CC1 ZINC001254750537 1040510752 /nfs/dbraw/zinc/51/07/52/1040510752.db2.gz MPUXMVWLBHKVSS-IBGZPJMESA-N 2 1 391.600 3.974 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755283 1040517987 /nfs/dbraw/zinc/51/79/87/1040517987.db2.gz QSDPLWZDGIRVGV-XMSQKQJNSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755283 1040518006 /nfs/dbraw/zinc/51/80/06/1040518006.db2.gz QSDPLWZDGIRVGV-XMSQKQJNSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755283 1040518025 /nfs/dbraw/zinc/51/80/25/1040518025.db2.gz QSDPLWZDGIRVGV-XMSQKQJNSA-N 2 1 377.573 3.584 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254782378 1040541137 /nfs/dbraw/zinc/54/11/37/1040541137.db2.gz WCVDFCFYKUZYNI-IBGZPJMESA-N 2 1 379.589 3.828 20 0 GHADMP CCCCN(c1ccccc1)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235064981 1040553939 /nfs/dbraw/zinc/55/39/39/1040553939.db2.gz ZNVIUJNRZOXWDK-XMMPIXPASA-N 2 1 378.564 3.762 20 0 GHADMP CCCCN(c1ccccc1)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235064981 1040553953 /nfs/dbraw/zinc/55/39/53/1040553953.db2.gz ZNVIUJNRZOXWDK-XMMPIXPASA-N 2 1 378.564 3.762 20 0 GHADMP Cc1nnc(-c2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)cc2)o1 ZINC001235065546 1040554892 /nfs/dbraw/zinc/55/48/92/1040554892.db2.gz KGFVYVQDIICSBR-GOTSBHOMSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2)o1 ZINC001235065546 1040554914 /nfs/dbraw/zinc/55/49/14/1040554914.db2.gz KGFVYVQDIICSBR-GOTSBHOMSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2)o1 ZINC001235065546 1040554928 /nfs/dbraw/zinc/55/49/28/1040554928.db2.gz KGFVYVQDIICSBR-GOTSBHOMSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc1 ZINC001235079171 1040567550 /nfs/dbraw/zinc/56/75/50/1040567550.db2.gz YTAKCDJDTQHYFH-SFHVURJKSA-N 2 1 378.442 3.830 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(CC3)C[NH2+]Cc3ccccc34)C2)cc1 ZINC001235086817 1040574491 /nfs/dbraw/zinc/57/44/91/1040574491.db2.gz PJJJIAIFJJJEFQ-JOCHJYFZSA-N 3 1 375.560 3.646 20 0 GHADMP c1ccc(CN2CC[C@H](C[NH+]3CCC4(CC3)C[NH2+]Cc3ccccc34)C2)cc1 ZINC001235086817 1040574499 /nfs/dbraw/zinc/57/44/99/1040574499.db2.gz PJJJIAIFJJJEFQ-JOCHJYFZSA-N 2 1 375.560 3.646 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001235092582 1040583288 /nfs/dbraw/zinc/58/32/88/1040583288.db2.gz MBRJJLIPBKSJRJ-UHFFFAOYSA-N 2 1 379.220 3.533 20 0 GHADMP c1ccc(C(c2ccccc2)[NH+]2CC(CN[C@@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254839240 1040585459 /nfs/dbraw/zinc/58/54/59/1040585459.db2.gz OJMMPGNTAANVQA-XMMPIXPASA-N 2 1 375.560 3.782 20 0 GHADMP Clc1cccc(I)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC001235106088 1040594384 /nfs/dbraw/zinc/59/43/84/1040594384.db2.gz LCIKGYPVFNUUIM-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(OC)cc1Br ZINC001235154551 1040647347 /nfs/dbraw/zinc/64/73/47/1040647347.db2.gz MJWRMCBMIXVJTI-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(F)c1 ZINC001235154705 1040648783 /nfs/dbraw/zinc/64/87/83/1040648783.db2.gz ALBVHINQYAZGTC-RRFGBZISSA-N 2 1 378.463 3.505 20 0 GHADMP Ic1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001235158070 1040651480 /nfs/dbraw/zinc/65/14/80/1040651480.db2.gz UFCOAMLXJFEWBR-KRWDZBQOSA-N 2 1 384.305 3.645 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1C[C@@H]3CC(=O)C[C@H]3C1)CC2 ZINC001254948541 1040684823 /nfs/dbraw/zinc/68/48/23/1040684823.db2.gz NGMYCSMQOVLVJV-LMMKCTJWSA-N 2 1 388.577 3.561 20 0 GHADMP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001235200376 1040687314 /nfs/dbraw/zinc/68/73/14/1040687314.db2.gz LDVXQBBYVQVOBZ-DEOSSOPVSA-N 2 1 380.532 3.551 20 0 GHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001235200376 1040687323 /nfs/dbraw/zinc/68/73/23/1040687323.db2.gz LDVXQBBYVQVOBZ-DEOSSOPVSA-N 2 1 380.532 3.551 20 0 GHADMP [NH3+][C@H]1[C@H]2C[N@@H+](Cc3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)C[C@@H]12 ZINC001235286218 1040757231 /nfs/dbraw/zinc/75/72/31/1040757231.db2.gz YGCMAARQCUHIQY-MIFYACCESA-N 2 1 383.801 3.935 20 0 GHADMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)C[C@@H]12 ZINC001235286218 1040757266 /nfs/dbraw/zinc/75/72/66/1040757266.db2.gz YGCMAARQCUHIQY-MIFYACCESA-N 2 1 383.801 3.935 20 0 GHADMP C[NH+](C)CCN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255074001 1040767584 /nfs/dbraw/zinc/76/75/84/1040767584.db2.gz SBTOGDIGNBKECS-UBFVSLLYSA-N 2 1 377.576 3.903 20 0 GHADMP CN(C)CC[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255074001 1040767592 /nfs/dbraw/zinc/76/75/92/1040767592.db2.gz SBTOGDIGNBKECS-UBFVSLLYSA-N 2 1 377.576 3.903 20 0 GHADMP CN(C)CC[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255074001 1040767596 /nfs/dbraw/zinc/76/75/96/1040767596.db2.gz SBTOGDIGNBKECS-UBFVSLLYSA-N 2 1 377.576 3.903 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(F)cc(Cl)c1)C2 ZINC001235320125 1040791395 /nfs/dbraw/zinc/79/13/95/1040791395.db2.gz HBTWWRPSSTUWKV-GHTZIAJQSA-N 2 1 394.918 3.624 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1scc(C)c1Cl)C2 ZINC001235323403 1040793140 /nfs/dbraw/zinc/79/31/40/1040793140.db2.gz DBDGNEXVADKZGC-OXJNMPFZSA-N 2 1 396.984 3.855 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)cn2)cc1 ZINC001235338827 1040808383 /nfs/dbraw/zinc/80/83/83/1040808383.db2.gz CNHYJTDTXSIBOM-INIZCTEOSA-N 2 1 377.410 3.689 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255125526 1040817839 /nfs/dbraw/zinc/81/78/39/1040817839.db2.gz WICNSYVOYRCGDX-UZFIKNKDSA-N 2 1 385.552 3.827 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255127156 1040821209 /nfs/dbraw/zinc/82/12/09/1040821209.db2.gz RGDBJQWURVSXKJ-NUNAXRQHSA-N 2 1 378.516 3.687 20 0 GHADMP CC(C)(C)OC(=O)NCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255130822 1040824022 /nfs/dbraw/zinc/82/40/22/1040824022.db2.gz AZMCIBKYQXLXPR-OWZKRDHZSA-N 2 1 385.552 3.829 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132174 1040828141 /nfs/dbraw/zinc/82/81/41/1040828141.db2.gz SCXMATGHOFKMIC-YPVNFLLMSA-N 2 1 385.552 3.853 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235354145 1040828971 /nfs/dbraw/zinc/82/89/71/1040828971.db2.gz AOIDWBKVDVRYRZ-FYYLOGMGSA-N 2 1 394.469 3.934 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235354145 1040828981 /nfs/dbraw/zinc/82/89/81/1040828981.db2.gz AOIDWBKVDVRYRZ-FYYLOGMGSA-N 2 1 394.469 3.934 20 0 GHADMP [NH3+]C1(Cc2cccnc2)CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132548 1040829636 /nfs/dbraw/zinc/82/96/36/1040829636.db2.gz MMKYNSRFKDMNHL-BKFWDETESA-N 2 1 390.575 3.613 20 0 GHADMP CC[C@@H]1[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138759 1040841965 /nfs/dbraw/zinc/84/19/65/1040841965.db2.gz GJYJHORVWBYQSU-LKZRYDKBSA-N 2 1 381.564 3.705 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138759 1040841982 /nfs/dbraw/zinc/84/19/82/1040841982.db2.gz GJYJHORVWBYQSU-LKZRYDKBSA-N 2 1 381.564 3.705 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138759 1040841998 /nfs/dbraw/zinc/84/19/98/1040841998.db2.gz GJYJHORVWBYQSU-LKZRYDKBSA-N 2 1 381.564 3.705 20 0 GHADMP O=C1N(c2ccccc2)CC12C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255145508 1040856411 /nfs/dbraw/zinc/85/64/11/1040856411.db2.gz PQKFTVQLSBBAAG-JKHIJQBDSA-N 2 1 387.527 3.531 20 0 GHADMP O=C1N(c2ccccc2)CC12C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255145508 1040856441 /nfs/dbraw/zinc/85/64/41/1040856441.db2.gz PQKFTVQLSBBAAG-JKHIJQBDSA-N 2 1 387.527 3.531 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc2c1OCC=C2 ZINC001235369771 1040871047 /nfs/dbraw/zinc/87/10/47/1040871047.db2.gz UDXKAZMIJIHKED-RCZVLFRGSA-N 2 1 390.527 3.854 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc2c1OCC=C2 ZINC001235369771 1040871065 /nfs/dbraw/zinc/87/10/65/1040871065.db2.gz UDXKAZMIJIHKED-RCZVLFRGSA-N 2 1 390.527 3.854 20 0 GHADMP Cc1c[nH+]ccc1N1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150801 1040872623 /nfs/dbraw/zinc/87/26/23/1040872623.db2.gz OTXDYWQKHDENJE-JKHIJQBDSA-N 2 1 376.548 3.708 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001255197789 1040902442 /nfs/dbraw/zinc/90/24/42/1040902442.db2.gz FNCVHKUSQMVQNW-YXOJAJARSA-N 2 1 377.573 3.900 20 0 GHADMP Cn1ccc(-c2ccc(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)cc2)n1 ZINC001235387818 1040905337 /nfs/dbraw/zinc/90/53/37/1040905337.db2.gz XSMZSUOBICJRMH-ILBGXUMGSA-N 2 1 386.543 3.840 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C[C@H]2C1 ZINC001235388425 1040906390 /nfs/dbraw/zinc/90/63/90/1040906390.db2.gz HMJUQRJEAVLUFR-NHCUHLMSSA-N 2 1 385.552 3.711 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424747 1040926951 /nfs/dbraw/zinc/92/69/51/1040926951.db2.gz IGTOVEVMRDZBAY-KBPBESRZSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424747 1040926957 /nfs/dbraw/zinc/92/69/57/1040926957.db2.gz IGTOVEVMRDZBAY-KBPBESRZSA-N 2 1 385.321 3.808 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427518 1040929195 /nfs/dbraw/zinc/92/91/95/1040929195.db2.gz MDFYICOBBGPRKK-ROUUACIJSA-N 2 1 383.536 3.865 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OCCCOC ZINC001235431040 1040931045 /nfs/dbraw/zinc/93/10/45/1040931045.db2.gz UDHLHPOBJUEXPD-LEWJYISDSA-N 2 1 390.568 3.712 20 0 GHADMP Brc1cccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]nc21 ZINC001235429626 1040931269 /nfs/dbraw/zinc/93/12/69/1040931269.db2.gz UUKNPLORSAABCN-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP c1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)c1 ZINC001235484162 1040957250 /nfs/dbraw/zinc/95/72/50/1040957250.db2.gz WGRGTHAWLVQRJL-RPWUZVMVSA-N 2 1 377.532 3.546 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001255380547 1040971098 /nfs/dbraw/zinc/97/10/98/1040971098.db2.gz SOELSIXHYJJSSI-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001255380547 1040971101 /nfs/dbraw/zinc/97/11/01/1040971101.db2.gz SOELSIXHYJJSSI-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP O=C(c1ccc(F)cc1)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390772 1040979031 /nfs/dbraw/zinc/97/90/31/1040979031.db2.gz KWWZQEOIGSMJLZ-PKTZIBPZSA-N 2 1 395.522 3.685 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC001255391718 1040980428 /nfs/dbraw/zinc/98/04/28/1040980428.db2.gz RYXIJCGDCKEDFD-DEOSSOPVSA-N 3 1 392.591 3.938 20 0 GHADMP c1ccc(CN2CCC[C@H]([NH2+]CC3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC001255391718 1040980429 /nfs/dbraw/zinc/98/04/29/1040980429.db2.gz RYXIJCGDCKEDFD-DEOSSOPVSA-N 2 1 392.591 3.938 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)[C@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255399431 1040984691 /nfs/dbraw/zinc/98/46/91/1040984691.db2.gz RVDOCTFPXVBDNE-URXFXBBRSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255399431 1040984693 /nfs/dbraw/zinc/98/46/93/1040984693.db2.gz RVDOCTFPXVBDNE-URXFXBBRSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255399431 1040984694 /nfs/dbraw/zinc/98/46/94/1040984694.db2.gz RVDOCTFPXVBDNE-URXFXBBRSA-N 2 1 396.575 3.975 20 0 GHADMP C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404947 1040992176 /nfs/dbraw/zinc/99/21/76/1040992176.db2.gz LTAOQHHIICZPOL-LEWJYISDSA-N 2 1 387.568 3.982 20 0 GHADMP C[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404947 1040992177 /nfs/dbraw/zinc/99/21/77/1040992177.db2.gz LTAOQHHIICZPOL-LEWJYISDSA-N 2 1 387.568 3.982 20 0 GHADMP C[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404947 1040992179 /nfs/dbraw/zinc/99/21/79/1040992179.db2.gz LTAOQHHIICZPOL-LEWJYISDSA-N 2 1 387.568 3.982 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](N3CC4(C3)CC[N@H+](Cc3cccnc3)C4)CC2)cc1 ZINC001255405238 1040992504 /nfs/dbraw/zinc/99/25/04/1040992504.db2.gz XZKQSCSNNUIOLR-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](N3CC4(C3)CC[NH+](Cc3cccnc3)C4)CC2)cc1 ZINC001255405238 1040992505 /nfs/dbraw/zinc/99/25/05/1040992505.db2.gz XZKQSCSNNUIOLR-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](N3CC4(C3)CC[NH+](Cc3cccnc3)C4)CC2)cc1 ZINC001255405238 1040992506 /nfs/dbraw/zinc/99/25/06/1040992506.db2.gz XZKQSCSNNUIOLR-DEOSSOPVSA-N 2 1 390.575 3.644 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409858 1040998943 /nfs/dbraw/zinc/99/89/43/1040998943.db2.gz LWFICUOTWKPENO-RTWAWAEBSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409858 1040998944 /nfs/dbraw/zinc/99/89/44/1040998944.db2.gz LWFICUOTWKPENO-RTWAWAEBSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409858 1040998945 /nfs/dbraw/zinc/99/89/45/1040998945.db2.gz LWFICUOTWKPENO-RTWAWAEBSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409858 1040998946 /nfs/dbraw/zinc/99/89/46/1040998946.db2.gz LWFICUOTWKPENO-RTWAWAEBSA-N 2 1 381.520 3.598 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409898 1041000192 /nfs/dbraw/zinc/00/01/92/1041000192.db2.gz MSQACVBMDRWSFM-GOTSBHOMSA-N 2 1 389.543 3.771 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409898 1041000233 /nfs/dbraw/zinc/00/02/33/1041000233.db2.gz MSQACVBMDRWSFM-GOTSBHOMSA-N 2 1 389.543 3.771 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409898 1041000263 /nfs/dbraw/zinc/00/02/63/1041000263.db2.gz MSQACVBMDRWSFM-GOTSBHOMSA-N 2 1 389.543 3.771 20 0 GHADMP c1cc(-c2ccc3c(c2)C2(CC3)CC[NH+](Cc3cn4c(n3)C[NH2+]CC4)CC2)co1 ZINC001235591791 1041006078 /nfs/dbraw/zinc/00/60/78/1041006078.db2.gz CEXZBSSTCOUCOI-UHFFFAOYSA-N 2 1 388.515 3.726 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(CCC[NH2+]C4CCCCC4)CC3)C2)cc1 ZINC001235609970 1041030215 /nfs/dbraw/zinc/03/02/15/1041030215.db2.gz NWJWENOLAORFRA-UHFFFAOYSA-N 2 1 399.623 3.974 20 0 GHADMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](CCC[NH2+]C4CCCCC4)CC3)C2)cc1 ZINC001235609970 1041030246 /nfs/dbraw/zinc/03/02/46/1041030246.db2.gz NWJWENOLAORFRA-UHFFFAOYSA-N 3 1 399.623 3.974 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CCC[NH2+]C4CCCCC4)CC3)C2)cc1 ZINC001235609970 1041030307 /nfs/dbraw/zinc/03/03/07/1041030307.db2.gz NWJWENOLAORFRA-UHFFFAOYSA-N 3 1 399.623 3.974 20 0 GHADMP Fc1cccc(CN2CC[C@@]23CCC[N@@H+](Cc2cc4c(s2)C[NH2+]CC4)C3)c1 ZINC001235628872 1041059886 /nfs/dbraw/zinc/05/98/86/1041059886.db2.gz MBONMRNUYVXBAP-JOCHJYFZSA-N 2 1 385.552 3.773 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001235633397 1041066632 /nfs/dbraw/zinc/06/66/32/1041066632.db2.gz WRTOKZPSAGSBCA-DJSIVUHMSA-N 2 1 376.491 3.674 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001235633397 1041066652 /nfs/dbraw/zinc/06/66/52/1041066652.db2.gz WRTOKZPSAGSBCA-DJSIVUHMSA-N 2 1 376.491 3.674 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@@H]1CCOC(C)(C)C1)CC2 ZINC001255543577 1041121539 /nfs/dbraw/zinc/12/15/39/1041121539.db2.gz HBOPAOAWUAPJAI-QZTJIDSGSA-N 2 1 378.582 3.761 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc5c(c4)CC[NH2+]C5)C3)CC2)cc1 ZINC001235695146 1041169570 /nfs/dbraw/zinc/16/95/70/1041169570.db2.gz ZVTIPRGDZSOULV-UHFFFAOYSA-N 3 1 375.560 3.820 20 0 GHADMP FC(F)(F)c1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)nc1Cl ZINC001235705646 1041184256 /nfs/dbraw/zinc/18/42/56/1041184256.db2.gz MBYWVWQEYQZFOL-UHFFFAOYSA-N 2 1 396.844 3.679 20 0 GHADMP Clc1ccc(CO[C@@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001235711267 1041193933 /nfs/dbraw/zinc/19/39/33/1041193933.db2.gz WXAJNHAHDUBTQW-HSZRJFAPSA-N 2 1 399.966 3.931 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661352 1041199387 /nfs/dbraw/zinc/19/93/87/1041199387.db2.gz AHFKZCKPNDXNCB-WSCSCYJOSA-N 2 1 379.589 3.875 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678238 1041210693 /nfs/dbraw/zinc/21/06/93/1041210693.db2.gz BLQAUJHRTIVECD-CBQGHPETSA-N 2 1 394.563 3.680 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(C1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001255678238 1041210707 /nfs/dbraw/zinc/21/07/07/1041210707.db2.gz BLQAUJHRTIVECD-CBQGHPETSA-N 2 1 394.563 3.680 20 0 GHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CCN(C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001255678238 1041210725 /nfs/dbraw/zinc/21/07/25/1041210725.db2.gz BLQAUJHRTIVECD-CBQGHPETSA-N 2 1 394.563 3.680 20 0 GHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CCN(C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001255678238 1041210739 /nfs/dbraw/zinc/21/07/39/1041210739.db2.gz BLQAUJHRTIVECD-CBQGHPETSA-N 2 1 394.563 3.680 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255681908 1041213872 /nfs/dbraw/zinc/21/38/72/1041213872.db2.gz BJNWHMJIKVPSBE-SMAIGVGUSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@H]2CN(C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255681908 1041213884 /nfs/dbraw/zinc/21/38/84/1041213884.db2.gz BJNWHMJIKVPSBE-SMAIGVGUSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@H]2CN(C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255681908 1041213898 /nfs/dbraw/zinc/21/38/98/1041213898.db2.gz BJNWHMJIKVPSBE-SMAIGVGUSA-N 2 1 385.596 3.997 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)C1 ZINC001255706687 1041227129 /nfs/dbraw/zinc/22/71/29/1041227129.db2.gz WXTQSFBJUAPAPK-JFIYKMOQSA-N 2 1 390.490 3.847 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)C1 ZINC001255706687 1041227145 /nfs/dbraw/zinc/22/71/45/1041227145.db2.gz WXTQSFBJUAPAPK-JFIYKMOQSA-N 2 1 390.490 3.847 20 0 GHADMP Cc1ccc(SC[C@@H](C)[NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001255753522 1041273325 /nfs/dbraw/zinc/27/33/25/1041273325.db2.gz VCHLQMAVIDVWTP-QGZVFWFLSA-N 2 1 393.597 3.794 20 0 GHADMP c1ccc([C@H]2c3ccccc3CC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001235796668 1041296567 /nfs/dbraw/zinc/29/65/67/1041296567.db2.gz UKUYZYSOEAUPOJ-VWLOTQADSA-N 2 1 384.527 3.639 20 0 GHADMP C[C@H](CS(=O)(=O)c1ccccc1)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255808972 1041314406 /nfs/dbraw/zinc/31/44/06/1041314406.db2.gz WIGAGAGCHGFEHA-HMXCVIKNSA-N 2 1 386.561 3.621 20 0 GHADMP CC(C)Oc1cc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)cc(OC(C)C)c1 ZINC001235819441 1041337131 /nfs/dbraw/zinc/33/71/31/1041337131.db2.gz FBUYNMSBDNVQFC-UHFFFAOYSA-N 2 1 389.584 3.521 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001255848926 1041343809 /nfs/dbraw/zinc/34/38/09/1041343809.db2.gz OORMQSVDDSKQIZ-HXUWFJFHSA-N 2 1 397.538 3.766 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)nc1 ZINC001235866551 1041398216 /nfs/dbraw/zinc/39/82/16/1041398216.db2.gz RISQHCQNUHLTFZ-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP CC(C)N(C(=O)c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1)C(C)C ZINC001235918703 1041429200 /nfs/dbraw/zinc/42/92/00/1041429200.db2.gz NVLMUONYDSWBGI-UHFFFAOYSA-N 2 1 376.504 3.947 20 0 GHADMP COCCC[N@H+](Cc1ccc(OC)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235936259 1041439202 /nfs/dbraw/zinc/43/92/02/1041439202.db2.gz AMWYKDDSRMYJTM-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OC)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235936259 1041439210 /nfs/dbraw/zinc/43/92/10/1041439210.db2.gz AMWYKDDSRMYJTM-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001255961164 1041439783 /nfs/dbraw/zinc/43/97/83/1041439783.db2.gz VHMPGAOUYVCFFA-NKKJXINNSA-N 2 1 391.644 3.567 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001255960201 1041440464 /nfs/dbraw/zinc/44/04/64/1041440464.db2.gz FTXGPQPIVOZIET-VCOUNFBDSA-N 2 1 393.547 3.591 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001255960201 1041440471 /nfs/dbraw/zinc/44/04/71/1041440471.db2.gz FTXGPQPIVOZIET-VCOUNFBDSA-N 2 1 393.547 3.591 20 0 GHADMP CC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235949188 1041453716 /nfs/dbraw/zinc/45/37/16/1041453716.db2.gz ZBPDUVWQWWBOBK-HSZRJFAPSA-N 2 1 388.559 3.841 20 0 GHADMP CCN(Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235949188 1041453743 /nfs/dbraw/zinc/45/37/43/1041453743.db2.gz ZBPDUVWQWWBOBK-HSZRJFAPSA-N 2 1 388.559 3.841 20 0 GHADMP CCN(Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235949188 1041453756 /nfs/dbraw/zinc/45/37/56/1041453756.db2.gz ZBPDUVWQWWBOBK-HSZRJFAPSA-N 2 1 388.559 3.841 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@@H+]1CCC1CC[NH2+]CC1 ZINC001235961237 1041469233 /nfs/dbraw/zinc/46/92/33/1041469233.db2.gz BLJOXFWIWQRAKC-QHCPKHFHSA-N 2 1 378.516 3.546 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@H+]1CCC1CC[NH2+]CC1 ZINC001235961237 1041469242 /nfs/dbraw/zinc/46/92/42/1041469242.db2.gz BLJOXFWIWQRAKC-QHCPKHFHSA-N 2 1 378.516 3.546 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)c[nH]c21 ZINC001235977741 1041482506 /nfs/dbraw/zinc/48/25/06/1041482506.db2.gz OYVISONWBVWKDZ-UHFFFAOYSA-N 2 1 389.499 3.592 20 0 GHADMP CCOC(=O)N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001256033685 1041485909 /nfs/dbraw/zinc/48/59/09/1041485909.db2.gz YPFACWQRNQBYOP-RAUXBKROSA-N 2 1 391.581 3.511 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001256033685 1041485930 /nfs/dbraw/zinc/48/59/30/1041485930.db2.gz YPFACWQRNQBYOP-RAUXBKROSA-N 2 1 391.581 3.511 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001256033685 1041485943 /nfs/dbraw/zinc/48/59/43/1041485943.db2.gz YPFACWQRNQBYOP-RAUXBKROSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)CC1 ZINC001236066190 1041519000 /nfs/dbraw/zinc/51/90/00/1041519000.db2.gz LYUQUEWWEOVUOY-FQEVSTJZSA-N 2 1 388.895 3.845 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC001236069310 1041520269 /nfs/dbraw/zinc/52/02/69/1041520269.db2.gz ZQFIAAKDZHFOSF-OAQYLSRUSA-N 2 1 377.488 3.547 20 0 GHADMP CC[N@@H+](Cc1cccc(Cl)c1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001236196376 1041615294 /nfs/dbraw/zinc/61/52/94/1041615294.db2.gz YZECNWAOQQHOSB-UHFFFAOYSA-N 2 1 383.927 3.872 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)c(OC)c1 ZINC001236227694 1041633327 /nfs/dbraw/zinc/63/33/27/1041633327.db2.gz LWUJSDPBRWSKQD-UHFFFAOYSA-N 2 1 382.504 3.754 20 0 GHADMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)nc1)Cc1cccc(Oc2ccccc2)c1 ZINC001236241169 1041640249 /nfs/dbraw/zinc/64/02/49/1041640249.db2.gz QOKNSRGIMWNSPZ-UHFFFAOYSA-N 2 1 388.515 3.916 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)s1 ZINC001236319909 1041669854 /nfs/dbraw/zinc/66/98/54/1041669854.db2.gz HRQWETSPOUMYDN-IYBDPMFKSA-N 2 1 377.941 3.807 20 0 GHADMP CCOC(=O)N1CCC([N@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)CC1 ZINC001256246019 1041672795 /nfs/dbraw/zinc/67/27/95/1041672795.db2.gz QYEVSWACQJEANS-YVNJGZBMSA-N 2 1 387.568 3.502 20 0 GHADMP CCOC(=O)N1CCC([N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001256246019 1041672802 /nfs/dbraw/zinc/67/28/02/1041672802.db2.gz QYEVSWACQJEANS-YVNJGZBMSA-N 2 1 387.568 3.502 20 0 GHADMP CCOC(=O)N1CCC([N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001256246019 1041672807 /nfs/dbraw/zinc/67/28/07/1041672807.db2.gz QYEVSWACQJEANS-YVNJGZBMSA-N 2 1 387.568 3.502 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001256246019 1041672815 /nfs/dbraw/zinc/67/28/15/1041672815.db2.gz QYEVSWACQJEANS-YVNJGZBMSA-N 2 1 387.568 3.502 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CC1 ZINC001256246019 1041672821 /nfs/dbraw/zinc/67/28/21/1041672821.db2.gz QYEVSWACQJEANS-YVNJGZBMSA-N 2 1 387.568 3.502 20 0 GHADMP [NH3+]Cc1cccc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)c1 ZINC001236378972 1041689562 /nfs/dbraw/zinc/68/95/62/1041689562.db2.gz ZGZJQGVQAMMNNM-UHFFFAOYSA-N 3 1 388.353 3.662 20 0 GHADMP [NH3+]Cc1cccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)c1 ZINC001236378972 1041689565 /nfs/dbraw/zinc/68/95/65/1041689565.db2.gz ZGZJQGVQAMMNNM-UHFFFAOYSA-N 3 1 388.353 3.662 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401322 1041702892 /nfs/dbraw/zinc/70/28/92/1041702892.db2.gz OQPREXOWVXLQKR-QGZVFWFLSA-N 2 1 384.495 3.987 20 0 GHADMP CC[N@@H+](Cc1cc(Br)ccc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236408419 1041704898 /nfs/dbraw/zinc/70/48/98/1041704898.db2.gz LUSOSSMDKQDODP-LLVKDONJSA-N 2 1 381.236 3.779 20 0 GHADMP CC[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236408419 1041704905 /nfs/dbraw/zinc/70/49/05/1041704905.db2.gz LUSOSSMDKQDODP-LLVKDONJSA-N 2 1 381.236 3.779 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236412357 1041705781 /nfs/dbraw/zinc/70/57/81/1041705781.db2.gz SVCNZWYOHPIBQH-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)s2)CC[C@@H]1[NH3+] ZINC001236413107 1041706407 /nfs/dbraw/zinc/70/64/07/1041706407.db2.gz BWIGRIFCMUARPQ-HOTGVXAUSA-N 2 1 398.450 3.756 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3cccc(C(F)(F)F)c3)s2)CC[C@@H]1[NH3+] ZINC001236413107 1041706416 /nfs/dbraw/zinc/70/64/16/1041706416.db2.gz BWIGRIFCMUARPQ-HOTGVXAUSA-N 2 1 398.450 3.756 20 0 GHADMP C[C@@H](Cc1ccccn1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001256415592 1041724802 /nfs/dbraw/zinc/72/48/02/1041724802.db2.gz NCWLPSWZFSTGHX-AZUAARDMSA-N 2 1 385.577 3.830 20 0 GHADMP CCOCC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001236464427 1041726318 /nfs/dbraw/zinc/72/63/18/1041726318.db2.gz DPPSRPXEJVNOBW-UHFFFAOYSA-N 2 1 396.457 3.686 20 0 GHADMP CCOCC[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001236464427 1041726326 /nfs/dbraw/zinc/72/63/26/1041726326.db2.gz DPPSRPXEJVNOBW-UHFFFAOYSA-N 2 1 396.457 3.686 20 0 GHADMP CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccc(F)c(F)c3Cl)CC2)C1 ZINC001278936018 1041727678 /nfs/dbraw/zinc/72/76/78/1041727678.db2.gz YEHKLDPRHAGWEL-UHFFFAOYSA-N 2 1 385.930 3.858 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001256456230 1041739880 /nfs/dbraw/zinc/73/98/80/1041739880.db2.gz GZYJVUZZASPIHA-IEBWSBKVSA-N 2 1 388.556 3.736 20 0 GHADMP COc1ccc(C[N@@H+](CCOC(=O)c2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543514 1041757512 /nfs/dbraw/zinc/75/75/12/1041757512.db2.gz XAMCDMUQOKYXPS-MEMLXQNLSA-N 2 1 382.504 3.624 20 0 GHADMP CC(C)C[N@@H+](Cc1c2c(ccc1Br)OCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553278 1041759431 /nfs/dbraw/zinc/75/94/31/1041759431.db2.gz ZEDZUQUSPUVFKC-HDJSIYSDSA-N 2 1 383.330 3.906 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(I)o2)C2CCCC2)CC1 ZINC001236571525 1041765609 /nfs/dbraw/zinc/76/56/09/1041765609.db2.gz IBYFTKMAIVQKJB-MQMHXKEQSA-N 2 1 388.293 3.899 20 0 GHADMP CN1CCN(c2cc(C[N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)ccc2F)CC1 ZINC001236574962 1041766949 /nfs/dbraw/zinc/76/69/49/1041766949.db2.gz YYBYPIGAUCMRTO-XUTJKUGGSA-N 2 1 388.575 3.592 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)ccc2F)CC1 ZINC001236574962 1041766953 /nfs/dbraw/zinc/76/69/53/1041766953.db2.gz YYBYPIGAUCMRTO-XUTJKUGGSA-N 3 1 388.575 3.592 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)ccc2F)CC1 ZINC001236574962 1041766962 /nfs/dbraw/zinc/76/69/62/1041766962.db2.gz YYBYPIGAUCMRTO-XUTJKUGGSA-N 3 1 388.575 3.592 20 0 GHADMP [NH3+]C1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)CC1 ZINC001236622526 1041788694 /nfs/dbraw/zinc/78/86/94/1041788694.db2.gz PIAYSUVQWUGILK-OAQYLSRUSA-N 2 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+]([C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3Cl)C2)CC1 ZINC001236622526 1041788699 /nfs/dbraw/zinc/78/86/99/1041788699.db2.gz PIAYSUVQWUGILK-OAQYLSRUSA-N 2 1 399.966 3.916 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CC[C@@H](N4CCC([NH3+])CC4)C3)cc2)c1 ZINC001236624403 1041789339 /nfs/dbraw/zinc/78/93/39/1041789339.db2.gz ZVBFMJLFMWYRIA-XMMPIXPASA-N 2 1 378.564 3.760 20 0 GHADMP COc1ccc2n[nH]c(C[N@@H+](Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236710145 1041847420 /nfs/dbraw/zinc/84/74/20/1041847420.db2.gz ODKATROXCXMZKE-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc(OC)c(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236729420 1041861127 /nfs/dbraw/zinc/86/11/27/1041861127.db2.gz SGHNSZMQYNOXLS-WGSAOQKQSA-N 2 1 383.536 3.867 20 0 GHADMP COC(=O)c1cc(OC)cc(OC)c1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768807 1041881036 /nfs/dbraw/zinc/88/10/36/1041881036.db2.gz XAJXJHPXTUUPDJ-WKILWMFISA-N 2 1 392.540 3.608 20 0 GHADMP CN1CCN(c2cc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)ccc2F)CC1 ZINC001236780950 1041888696 /nfs/dbraw/zinc/88/86/96/1041888696.db2.gz YOQSLIMMTPLLTI-MXVIHJGJSA-N 2 1 390.591 3.696 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)ccc2F)CC1 ZINC001236780950 1041888698 /nfs/dbraw/zinc/88/86/98/1041888698.db2.gz YOQSLIMMTPLLTI-MXVIHJGJSA-N 3 1 390.591 3.696 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)ccc2F)CC1 ZINC001236780950 1041888706 /nfs/dbraw/zinc/88/87/06/1041888706.db2.gz YOQSLIMMTPLLTI-MXVIHJGJSA-N 3 1 390.591 3.696 20 0 GHADMP CCC[N@H+](Cc1cc2c(c(OCc3ccccc3)c1)OCO2)C[C@@H]1CC[NH2+]C1 ZINC001236844251 1041925475 /nfs/dbraw/zinc/92/54/75/1041925475.db2.gz QQEXLYNBEHBKKT-LJQANCHMSA-N 2 1 382.504 3.816 20 0 GHADMP CC[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001236891562 1041942265 /nfs/dbraw/zinc/94/22/65/1041942265.db2.gz XAVMBTJYJDIFQI-RUZDIDTESA-N 2 1 392.591 3.535 20 0 GHADMP CCN(Cc1cccc(N2CC[NH+](C)CC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001236891562 1041942266 /nfs/dbraw/zinc/94/22/66/1041942266.db2.gz XAVMBTJYJDIFQI-RUZDIDTESA-N 2 1 392.591 3.535 20 0 GHADMP CCN(Cc1cccc(N2CC[NH+](C)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001236891562 1041942269 /nfs/dbraw/zinc/94/22/69/1041942269.db2.gz XAVMBTJYJDIFQI-RUZDIDTESA-N 2 1 392.591 3.535 20 0 GHADMP Brc1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc2c1OCO2 ZINC001236950140 1041968222 /nfs/dbraw/zinc/96/82/22/1041968222.db2.gz ZSOIKMHPPHNNAJ-UHFFFAOYSA-N 2 1 395.341 3.780 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)ccc1OC(F)F ZINC001237082970 1042027620 /nfs/dbraw/zinc/02/76/20/1042027620.db2.gz ZXIVNPUIMSSKNX-FTNCPSPGSA-N 2 1 375.257 3.752 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@@H+](CC2CC2)C2CC2)CC1 ZINC001237098325 1042034346 /nfs/dbraw/zinc/03/43/46/1042034346.db2.gz LMDUGKCDIGSFFM-UHFFFAOYSA-N 2 1 378.358 3.575 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)c1 ZINC001237178485 1042079945 /nfs/dbraw/zinc/07/99/45/1042079945.db2.gz DMFOZEKYDKKQMR-MRXNPFEDSA-N 2 1 393.350 3.810 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc3cccccc1-3)CCC2 ZINC001237184239 1042082964 /nfs/dbraw/zinc/08/29/64/1042082964.db2.gz UIRCUXPFCKHRID-UHFFFAOYSA-N 2 1 390.531 3.594 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc3cccccc1-3)CCC2 ZINC001237184239 1042082972 /nfs/dbraw/zinc/08/29/72/1042082972.db2.gz UIRCUXPFCKHRID-UHFFFAOYSA-N 2 1 390.531 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc3cccccc1-3)CCC2 ZINC001237184239 1042082978 /nfs/dbraw/zinc/08/29/78/1042082978.db2.gz UIRCUXPFCKHRID-UHFFFAOYSA-N 2 1 390.531 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc3cccccc1-3)CCC2 ZINC001237184239 1042082987 /nfs/dbraw/zinc/08/29/87/1042082987.db2.gz UIRCUXPFCKHRID-UHFFFAOYSA-N 2 1 390.531 3.594 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC1 ZINC001237251845 1042107936 /nfs/dbraw/zinc/10/79/36/1042107936.db2.gz YJCXKZLAQABNQY-RBBKRZOGSA-N 2 1 396.966 3.875 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237256741 1042110204 /nfs/dbraw/zinc/11/02/04/1042110204.db2.gz ARFDDHSHJFPOGK-XYPHTWIQSA-N 2 1 387.312 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237256741 1042110206 /nfs/dbraw/zinc/11/02/06/1042110206.db2.gz ARFDDHSHJFPOGK-XYPHTWIQSA-N 2 1 387.312 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001237256741 1042110208 /nfs/dbraw/zinc/11/02/08/1042110208.db2.gz ARFDDHSHJFPOGK-XYPHTWIQSA-N 2 1 387.312 3.947 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274309 1042118505 /nfs/dbraw/zinc/11/85/05/1042118505.db2.gz AFPVWETUVYEEPL-GOSISDBHSA-N 2 1 378.516 3.731 20 0 GHADMP COc1ccc(-c2ccccc2)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1 ZINC001237306141 1042136182 /nfs/dbraw/zinc/13/61/82/1042136182.db2.gz NYCLXQJSFMQLEI-UHFFFAOYSA-N 2 1 379.504 3.992 20 0 GHADMP c1ccc(C[NH+]2CCC(C[NH+]3CCC4(CC3)[NH2+]Cc3ccccc34)CC2)cc1 ZINC001237359860 1042169151 /nfs/dbraw/zinc/16/91/51/1042169151.db2.gz QNXBGLNCTNZYLA-UHFFFAOYSA-N 3 1 375.560 3.993 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001237479285 1042226915 /nfs/dbraw/zinc/22/69/15/1042226915.db2.gz APLRGSVPXKXXDO-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001237479285 1042226922 /nfs/dbraw/zinc/22/69/22/1042226922.db2.gz APLRGSVPXKXXDO-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001237479285 1042226929 /nfs/dbraw/zinc/22/69/29/1042226929.db2.gz APLRGSVPXKXXDO-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc(OC)n1 ZINC001237555211 1042261977 /nfs/dbraw/zinc/26/19/77/1042261977.db2.gz KOFIPADFGUCUSM-LJQANCHMSA-N 2 1 385.508 3.568 20 0 GHADMP Cc1c(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)cccc1-c1ccccc1 ZINC001237585299 1042273467 /nfs/dbraw/zinc/27/34/67/1042273467.db2.gz RFTOPJBHNLBHFA-UHFFFAOYSA-N 2 1 391.559 3.824 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+](C)[C@@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)cc21 ZINC001237888248 1042410810 /nfs/dbraw/zinc/41/08/10/1042410810.db2.gz BBIUANHDIASPID-XVAYZXCPSA-N 2 1 397.563 3.985 20 0 GHADMP Fc1ccnc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001238227671 1042525694 /nfs/dbraw/zinc/52/56/94/1042525694.db2.gz FKQMOZDVKCGVGF-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(OC(C)C)ccc1C)C2 ZINC001238478819 1042611272 /nfs/dbraw/zinc/61/12/72/1042611272.db2.gz BFCKZPSJPWIZAT-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(OC(C)C)ccc1C)C2 ZINC001238478819 1042611275 /nfs/dbraw/zinc/61/12/75/1042611275.db2.gz BFCKZPSJPWIZAT-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(OC(C)C)ccc1C)C2 ZINC001238478819 1042611278 /nfs/dbraw/zinc/61/12/78/1042611278.db2.gz BFCKZPSJPWIZAT-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COc1cc(F)ccc1-c1cncc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001238546506 1042635558 /nfs/dbraw/zinc/63/55/58/1042635558.db2.gz VOWMCNSAMRMTGG-UHFFFAOYSA-N 2 1 378.451 3.614 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(-c4ccc(F)cc4OC)ccc3OC)C[C@@H]2C1 ZINC001238650596 1042669885 /nfs/dbraw/zinc/66/98/85/1042669885.db2.gz VWSPFOMVCUGXCI-OALUTQOASA-N 2 1 384.495 3.893 20 0 GHADMP C[NH+]1CCN(Cc2ccc(-c3cccc4c3C3(CC4)CC[NH2+]CC3)cc2)CC1 ZINC001240402771 1042926709 /nfs/dbraw/zinc/92/67/09/1042926709.db2.gz RQCLTAOWZPHKFD-UHFFFAOYSA-N 2 1 375.560 3.668 20 0 GHADMP C[NH+](C)CCOc1cccc(-c2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)c1 ZINC001240589513 1042944426 /nfs/dbraw/zinc/94/44/26/1042944426.db2.gz BJCSAVIVFBXMBH-UHFFFAOYSA-N 2 1 379.548 3.531 20 0 GHADMP C[NH+]1CCC(Oc2ccnc(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)c2)CC1 ZINC001240852483 1042958890 /nfs/dbraw/zinc/95/88/90/1042958890.db2.gz CVSBZXMZVVLFDR-UHFFFAOYSA-N 2 1 393.531 3.543 20 0 GHADMP CC(C)O[C@@H]1C[C@@H](Nc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)C1(C)C ZINC001462670529 1070459521 /nfs/dbraw/zinc/45/95/21/1070459521.db2.gz YVBXDDWUPKSHTF-FGZHOGPDSA-N 2 1 382.552 3.991 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256526649 1043455839 /nfs/dbraw/zinc/45/58/39/1043455839.db2.gz NXXBSVYOFFHDJG-TUSQITKMSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256526649 1043455860 /nfs/dbraw/zinc/45/58/60/1043455860.db2.gz NXXBSVYOFFHDJG-TUSQITKMSA-N 2 1 393.575 3.530 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001256527955 1043456098 /nfs/dbraw/zinc/45/60/98/1043456098.db2.gz BRQQUCOUPWTDHU-AJSBUHFISA-N 2 1 380.532 3.976 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001256527955 1043456113 /nfs/dbraw/zinc/45/61/13/1043456113.db2.gz BRQQUCOUPWTDHU-AJSBUHFISA-N 2 1 380.532 3.976 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)NC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530281 1043461106 /nfs/dbraw/zinc/46/11/06/1043461106.db2.gz BBQUHTXYXHKMBY-WMZHIEFXSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)NC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530281 1043461125 /nfs/dbraw/zinc/46/11/25/1043461125.db2.gz BBQUHTXYXHKMBY-WMZHIEFXSA-N 2 1 398.595 3.746 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001291789739 1043467503 /nfs/dbraw/zinc/46/75/03/1043467503.db2.gz YOFPYZPTFORZQU-OAQYLSRUSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536559 1043480791 /nfs/dbraw/zinc/48/07/91/1043480791.db2.gz FCJWWKUVGZDVGC-WSWWRLHASA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536559 1043480807 /nfs/dbraw/zinc/48/08/07/1043480807.db2.gz FCJWWKUVGZDVGC-WSWWRLHASA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256536559 1043480820 /nfs/dbraw/zinc/48/08/20/1043480820.db2.gz FCJWWKUVGZDVGC-WSWWRLHASA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256536559 1043480844 /nfs/dbraw/zinc/48/08/44/1043480844.db2.gz FCJWWKUVGZDVGC-WSWWRLHASA-N 2 1 399.579 3.981 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256540733 1043490283 /nfs/dbraw/zinc/49/02/83/1043490283.db2.gz ZGWMMFQXLPREJX-NZQKXSOJSA-N 2 1 393.575 3.998 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256540442 1043491986 /nfs/dbraw/zinc/49/19/86/1043491986.db2.gz HQLPXZJFQWUJFN-VMXMFDLUSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256540442 1043492002 /nfs/dbraw/zinc/49/20/02/1043492002.db2.gz HQLPXZJFQWUJFN-VMXMFDLUSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256540442 1043492016 /nfs/dbraw/zinc/49/20/16/1043492016.db2.gz HQLPXZJFQWUJFN-VMXMFDLUSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256540442 1043492035 /nfs/dbraw/zinc/49/20/35/1043492035.db2.gz HQLPXZJFQWUJFN-VMXMFDLUSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256546471 1043507105 /nfs/dbraw/zinc/50/71/05/1043507105.db2.gz LQQGOYSACFBATK-RBBKRZOGSA-N 2 1 398.595 3.652 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256546471 1043507118 /nfs/dbraw/zinc/50/71/18/1043507118.db2.gz LQQGOYSACFBATK-RBBKRZOGSA-N 2 1 398.595 3.652 20 0 GHADMP C[C@H]1C[C@@H](N2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548588 1043509180 /nfs/dbraw/zinc/50/91/80/1043509180.db2.gz BLQRVDMVFFQCCQ-DHLKQENFSA-N 2 1 377.576 3.900 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256553559 1043520581 /nfs/dbraw/zinc/52/05/81/1043520581.db2.gz GATSNEFGXQXQLP-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256553559 1043520585 /nfs/dbraw/zinc/52/05/85/1043520585.db2.gz GATSNEFGXQXQLP-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)CC1 ZINC001256570839 1043544766 /nfs/dbraw/zinc/54/47/66/1043544766.db2.gz RALVXFXEMFUJGG-OAQYLSRUSA-N 2 1 392.538 3.882 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)CC1 ZINC001256570839 1043544778 /nfs/dbraw/zinc/54/47/78/1043544778.db2.gz RALVXFXEMFUJGG-OAQYLSRUSA-N 2 1 392.538 3.882 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256596664 1043562307 /nfs/dbraw/zinc/56/23/07/1043562307.db2.gz DXBXXIVAGLGXMR-HJNYFJLDSA-N 2 1 399.579 3.886 20 0 GHADMP O=C(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCCc2ccccc21 ZINC001256600548 1043564388 /nfs/dbraw/zinc/56/43/88/1043564388.db2.gz VBBBATIKCVRHRY-UHFFFAOYSA-N 2 1 377.532 3.610 20 0 GHADMP C[C@H](Cc1ccccc1Br)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001256837987 1043688332 /nfs/dbraw/zinc/68/83/32/1043688332.db2.gz NCGGSJBCIMOTFJ-MRXNPFEDSA-N 2 1 388.353 3.811 20 0 GHADMP c1ccc(CN2CCC[C@@]23CC[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001256861871 1043708298 /nfs/dbraw/zinc/70/82/98/1043708298.db2.gz DGEKMVHURZRLPJ-DEOSSOPVSA-N 2 1 376.548 3.791 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]23CCN(C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001256861871 1043708311 /nfs/dbraw/zinc/70/83/11/1043708311.db2.gz DGEKMVHURZRLPJ-DEOSSOPVSA-N 2 1 376.548 3.791 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]23CCN(C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001256861871 1043708322 /nfs/dbraw/zinc/70/83/22/1043708322.db2.gz DGEKMVHURZRLPJ-DEOSSOPVSA-N 2 1 376.548 3.791 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256863320 1043709259 /nfs/dbraw/zinc/70/92/59/1043709259.db2.gz XRWMVNOQJDJVOQ-GOTSBHOMSA-N 2 1 393.531 3.862 20 0 GHADMP C[N@H+](Cc1cccc(F)c1)C1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865130 1043710638 /nfs/dbraw/zinc/71/06/38/1043710638.db2.gz QQEVJGXABWYOMY-UHFFFAOYSA-N 2 1 382.527 3.786 20 0 GHADMP C[N@@H+](Cc1cccc(F)c1)C1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865130 1043710648 /nfs/dbraw/zinc/71/06/48/1043710648.db2.gz QQEVJGXABWYOMY-UHFFFAOYSA-N 2 1 382.527 3.786 20 0 GHADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865130 1043710662 /nfs/dbraw/zinc/71/06/62/1043710662.db2.gz QQEVJGXABWYOMY-UHFFFAOYSA-N 3 1 382.527 3.786 20 0 GHADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865130 1043710675 /nfs/dbraw/zinc/71/06/75/1043710675.db2.gz QQEVJGXABWYOMY-UHFFFAOYSA-N 3 1 382.527 3.786 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256895688 1043728035 /nfs/dbraw/zinc/72/80/35/1043728035.db2.gz WYEUNNUGFZAJHH-IZBJGVDFSA-N 2 1 377.573 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256895688 1043728047 /nfs/dbraw/zinc/72/80/47/1043728047.db2.gz WYEUNNUGFZAJHH-IZBJGVDFSA-N 2 1 377.573 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@H](F)C1 ZINC001256900558 1043729311 /nfs/dbraw/zinc/72/93/11/1043729311.db2.gz PBTMSEVUZFCPAU-ZHALLVOQSA-N 2 1 383.552 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)[C@H](F)C1 ZINC001256900558 1043729318 /nfs/dbraw/zinc/72/93/18/1043729318.db2.gz PBTMSEVUZFCPAU-ZHALLVOQSA-N 2 1 383.552 3.578 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001257056919 1043824227 /nfs/dbraw/zinc/82/42/27/1043824227.db2.gz UTBBRTIMNXWNTI-ZWKOTPCHSA-N 2 1 376.566 3.768 20 0 GHADMP Cc1nc(C[N@@H+]2CCCC23CCN(C2CC[NH+](C(C)C)CC2)CC3)cs1 ZINC001257219115 1043939732 /nfs/dbraw/zinc/93/97/32/1043939732.db2.gz YOACXCVFQNSYSP-UHFFFAOYSA-N 2 1 376.614 3.755 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)Nc2ccc3nc(CN4CCCCC4)[nH]c3c2)CC1 ZINC001292922125 1043947848 /nfs/dbraw/zinc/94/78/48/1043947848.db2.gz VMMJFKINIYUSQK-UHFFFAOYSA-N 2 1 397.567 3.855 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)CC1 ZINC001292922125 1043947856 /nfs/dbraw/zinc/94/78/56/1043947856.db2.gz VMMJFKINIYUSQK-UHFFFAOYSA-N 2 1 397.567 3.855 20 0 GHADMP CCC[C@@H](C)[NH+]1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001257322463 1043964803 /nfs/dbraw/zinc/96/48/03/1043964803.db2.gz VAYXOGSMJWGQPN-NHCUHLMSSA-N 2 1 397.607 3.860 20 0 GHADMP CC1(C)CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001293053115 1044002524 /nfs/dbraw/zinc/00/25/24/1044002524.db2.gz NZGDTKIDIXVHTN-HSZRJFAPSA-N 2 1 391.559 3.774 20 0 GHADMP CC1(C)CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001293053115 1044002534 /nfs/dbraw/zinc/00/25/34/1044002534.db2.gz NZGDTKIDIXVHTN-HSZRJFAPSA-N 2 1 391.559 3.774 20 0 GHADMP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001293053115 1044002539 /nfs/dbraw/zinc/00/25/39/1044002539.db2.gz NZGDTKIDIXVHTN-HSZRJFAPSA-N 2 1 391.559 3.774 20 0 GHADMP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001293053115 1044002546 /nfs/dbraw/zinc/00/25/46/1044002546.db2.gz NZGDTKIDIXVHTN-HSZRJFAPSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257565999 1044051180 /nfs/dbraw/zinc/05/11/80/1044051180.db2.gz VPGPJIVOOMOLDZ-AWEZNQCLSA-N 2 1 380.330 3.510 20 0 GHADMP COC1CC[NH+](C2CC[NH+]([C@@H](C)Cc3ccc(Br)cc3)CC2)CC1 ZINC001257566796 1044053064 /nfs/dbraw/zinc/05/30/64/1044053064.db2.gz HAZAZGLBTYDRIT-INIZCTEOSA-N 2 1 395.385 3.955 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001257645241 1044097139 /nfs/dbraw/zinc/09/71/39/1044097139.db2.gz WFSJPUSRBLZFCF-SESVDKBCSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(CCC([N@@H+]3CCc4nccn4CC3)CC2)C1 ZINC001257772668 1044163124 /nfs/dbraw/zinc/16/31/24/1044163124.db2.gz ASHXXOXFYSCNGQ-UHFFFAOYSA-N 2 1 388.556 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(CCC([N@H+]3CCc4[nH+]ccn4CC3)CC2)C1 ZINC001257772668 1044163134 /nfs/dbraw/zinc/16/31/34/1044163134.db2.gz ASHXXOXFYSCNGQ-UHFFFAOYSA-N 2 1 388.556 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(CCC([N@@H+]3CCc4[nH+]ccn4CC3)CC2)C1 ZINC001257772668 1044163151 /nfs/dbraw/zinc/16/31/51/1044163151.db2.gz ASHXXOXFYSCNGQ-UHFFFAOYSA-N 2 1 388.556 3.701 20 0 GHADMP COC(=O)C1CCC([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC001257862725 1044227503 /nfs/dbraw/zinc/22/75/03/1044227503.db2.gz AKSGUFDMEJHXOJ-UHFFFAOYSA-N 2 1 376.566 3.768 20 0 GHADMP CC(C)OC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CC1 ZINC001257880669 1044239324 /nfs/dbraw/zinc/23/93/24/1044239324.db2.gz UOYBWARFMDJSMR-KDWIUMRBSA-N 2 1 388.600 3.793 20 0 GHADMP CC(C)OC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CC1 ZINC001257880669 1044239339 /nfs/dbraw/zinc/23/93/39/1044239339.db2.gz UOYBWARFMDJSMR-KDWIUMRBSA-N 2 1 388.600 3.793 20 0 GHADMP CC(C)OC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CC1 ZINC001257880669 1044239348 /nfs/dbraw/zinc/23/93/48/1044239348.db2.gz UOYBWARFMDJSMR-KDWIUMRBSA-N 2 1 388.600 3.793 20 0 GHADMP CC(C)OC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CC1 ZINC001257880669 1044239363 /nfs/dbraw/zinc/23/93/63/1044239363.db2.gz UOYBWARFMDJSMR-KDWIUMRBSA-N 2 1 388.600 3.793 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001293663243 1044282722 /nfs/dbraw/zinc/28/27/22/1044282722.db2.gz IQARKPDDXYNIOV-UEVCKROQSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001293663243 1044282738 /nfs/dbraw/zinc/28/27/38/1044282738.db2.gz IQARKPDDXYNIOV-UEVCKROQSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001293663243 1044282752 /nfs/dbraw/zinc/28/27/52/1044282752.db2.gz IQARKPDDXYNIOV-UEVCKROQSA-N 2 1 383.580 3.905 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC1 ZINC001258008996 1044335661 /nfs/dbraw/zinc/33/56/61/1044335661.db2.gz MWDPQRKKIHEYKR-UHFFFAOYSA-N 2 1 381.499 3.745 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014227 1044342838 /nfs/dbraw/zinc/34/28/38/1044342838.db2.gz GEFXCGHOPPZAMX-TUACAJSNSA-N 2 1 384.612 3.734 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258013878 1044343003 /nfs/dbraw/zinc/34/30/03/1044343003.db2.gz YNXAAPUPQLEHAU-QFIPXVFZSA-N 2 1 379.589 3.972 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001258031854 1044358001 /nfs/dbraw/zinc/35/80/01/1044358001.db2.gz DGUYNFFNCKTMAW-UUVJWNOVSA-N 2 1 384.564 3.871 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001258031854 1044358007 /nfs/dbraw/zinc/35/80/07/1044358007.db2.gz DGUYNFFNCKTMAW-UUVJWNOVSA-N 2 1 384.564 3.871 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001258031854 1044358027 /nfs/dbraw/zinc/35/80/27/1044358027.db2.gz DGUYNFFNCKTMAW-UUVJWNOVSA-N 2 1 384.564 3.871 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC001258141578 1044427391 /nfs/dbraw/zinc/42/73/91/1044427391.db2.gz CEFWXYFOTGDBNL-IFMALSPDSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC001258141578 1044427392 /nfs/dbraw/zinc/42/73/92/1044427392.db2.gz CEFWXYFOTGDBNL-IFMALSPDSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142945 1044429076 /nfs/dbraw/zinc/42/90/76/1044429076.db2.gz DLDKAGYPDABUSO-FQEVSTJZSA-N 2 1 387.568 3.540 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142945 1044429079 /nfs/dbraw/zinc/42/90/79/1044429079.db2.gz DLDKAGYPDABUSO-FQEVSTJZSA-N 2 1 387.568 3.540 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001258342560 1044516844 /nfs/dbraw/zinc/51/68/44/1044516844.db2.gz KTCVLOVVAQAJPE-LJQANCHMSA-N 2 1 391.625 3.916 20 0 GHADMP CCOC(=O)CC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001258490976 1044580372 /nfs/dbraw/zinc/58/03/72/1044580372.db2.gz DVCZNQXCSLGNDI-ROUUACIJSA-N 2 1 394.581 3.535 20 0 GHADMP O=C1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC001258567532 1044645477 /nfs/dbraw/zinc/64/54/77/1044645477.db2.gz NRUZVSUPGFBULS-QHCPKHFHSA-N 2 1 391.559 3.822 20 0 GHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258573826 1044650573 /nfs/dbraw/zinc/65/05/73/1044650573.db2.gz DXVIQKUJGOPHAU-QFIPXVFZSA-N 2 1 395.522 3.657 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H](C)Cc4cccnc4)CC3)C2)cc1 ZINC001258628721 1044677659 /nfs/dbraw/zinc/67/76/59/1044677659.db2.gz ZVQCKVJXAMSLDK-NRFANRHFSA-N 2 1 379.548 3.688 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258641245 1044683442 /nfs/dbraw/zinc/68/34/42/1044683442.db2.gz GIAJRKVTVRNORX-HYBUGGRVSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258641245 1044683446 /nfs/dbraw/zinc/68/34/46/1044683446.db2.gz GIAJRKVTVRNORX-HYBUGGRVSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258749168 1044747423 /nfs/dbraw/zinc/74/74/23/1044747423.db2.gz NFYRATKLZFIWGS-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001258771425 1044756975 /nfs/dbraw/zinc/75/69/75/1044756975.db2.gz BAUFCJPIUKYZGO-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)CC(CC(C)C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258835037 1044779659 /nfs/dbraw/zinc/77/96/59/1044779659.db2.gz QJCMKUOIJFLBQG-HJNYFJLDSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258835037 1044779675 /nfs/dbraw/zinc/77/96/75/1044779675.db2.gz QJCMKUOIJFLBQG-HJNYFJLDSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)CC(CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258835037 1044779689 /nfs/dbraw/zinc/77/96/89/1044779689.db2.gz QJCMKUOIJFLBQG-HJNYFJLDSA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)CC(CC(C)C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258835037 1044779703 /nfs/dbraw/zinc/77/97/03/1044779703.db2.gz QJCMKUOIJFLBQG-HJNYFJLDSA-N 2 1 375.605 3.912 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258911022 1044865970 /nfs/dbraw/zinc/86/59/70/1044865970.db2.gz ZAAKEZVIPAGMLY-UGKGYDQZSA-N 2 1 397.604 3.599 20 0 GHADMP C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001298317907 1045771908 /nfs/dbraw/zinc/77/19/08/1045771908.db2.gz DTQVUTKBFYCJBQ-NHCUHLMSSA-N 2 1 397.607 3.662 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001261296364 1045970937 /nfs/dbraw/zinc/97/09/37/1045970937.db2.gz YKZKSNFAJKDFJZ-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+]1CCC[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001261296364 1045970942 /nfs/dbraw/zinc/97/09/42/1045970942.db2.gz YKZKSNFAJKDFJZ-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+]1CCC[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001261296364 1045970946 /nfs/dbraw/zinc/97/09/46/1045970946.db2.gz YKZKSNFAJKDFJZ-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)[C@H](C)C1 ZINC001299017795 1045998935 /nfs/dbraw/zinc/99/89/35/1045998935.db2.gz LDXOKSUAHWNWAO-FGCOXFRFSA-N 2 1 397.607 3.868 20 0 GHADMP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)[C@H](C)C1 ZINC001299017795 1045998936 /nfs/dbraw/zinc/99/89/36/1045998936.db2.gz LDXOKSUAHWNWAO-FGCOXFRFSA-N 2 1 397.607 3.868 20 0 GHADMP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)[C@H](C)C1 ZINC001299017795 1045998944 /nfs/dbraw/zinc/99/89/44/1045998944.db2.gz LDXOKSUAHWNWAO-FGCOXFRFSA-N 2 1 397.607 3.868 20 0 GHADMP O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001301597121 1046614513 /nfs/dbraw/zinc/61/45/13/1046614513.db2.gz BQSJIDVTFWWRBW-HSZRJFAPSA-N 2 1 386.499 3.528 20 0 GHADMP O=C([C@@H]1CCCCC12CC[NH2+]CC2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001263184246 1046624373 /nfs/dbraw/zinc/62/43/73/1046624373.db2.gz NVFHIEPPARRTSS-ZRBLBEILSA-N 2 1 395.591 3.527 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001302057076 1046795072 /nfs/dbraw/zinc/79/50/72/1046795072.db2.gz BQHXYLADZYGETD-FQEVSTJZSA-N 2 1 389.971 3.781 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001302057076 1046795085 /nfs/dbraw/zinc/79/50/85/1046795085.db2.gz BQHXYLADZYGETD-FQEVSTJZSA-N 2 1 389.971 3.781 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001303368076 1047373340 /nfs/dbraw/zinc/37/33/40/1047373340.db2.gz IHFXVTRHHHDOOK-OAQYLSRUSA-N 2 1 387.543 3.657 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001303368076 1047373352 /nfs/dbraw/zinc/37/33/52/1047373352.db2.gz IHFXVTRHHHDOOK-OAQYLSRUSA-N 2 1 387.543 3.657 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Br)cc3)(C1)CCC2 ZINC001279143268 1047729964 /nfs/dbraw/zinc/72/99/64/1047729964.db2.gz QUNHBAGCGXWTED-RBUKOAKNSA-N 2 1 380.374 3.535 20 0 GHADMP COc1c(Cl)cccc1C[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001279197746 1047741280 /nfs/dbraw/zinc/74/12/80/1047741280.db2.gz DGXKPVOADJYULA-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1c(Cl)cccc1C[NH+]1CCC2(CCCN(CC[NH+](C)C)C2)CC1 ZINC001279197746 1047741284 /nfs/dbraw/zinc/74/12/84/1047741284.db2.gz DGXKPVOADJYULA-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3[nH]nc4cc(Br)ccc43)CC2)C1 ZINC001279296607 1047758689 /nfs/dbraw/zinc/75/86/89/1047758689.db2.gz CMRFDIVVBBWPBV-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP Fc1ccc(Cl)cc1C[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279384678 1047788410 /nfs/dbraw/zinc/78/84/10/1047788410.db2.gz YBQDPBKBRUQDBM-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP Fc1ccc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279384678 1047788414 /nfs/dbraw/zinc/78/84/14/1047788414.db2.gz YBQDPBKBRUQDBM-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP Cc1c(Br)cccc1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279638660 1047882849 /nfs/dbraw/zinc/88/28/49/1047882849.db2.gz HHKJCSVRDDNCKU-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1csc(C[NH+]2CCC3(C[NH+](Cc4cccc(=O)[nH]4)C3)CC2)c1Cl ZINC001279657497 1047899909 /nfs/dbraw/zinc/89/99/09/1047899909.db2.gz HISBYJPWGNIXHP-UHFFFAOYSA-N 2 1 377.941 3.909 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109409 1047906718 /nfs/dbraw/zinc/90/67/18/1047906718.db2.gz VGUYUKDRIAVYCR-FKVLARQCSA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109409 1047906725 /nfs/dbraw/zinc/90/67/25/1047906725.db2.gz VGUYUKDRIAVYCR-FKVLARQCSA-N 2 1 394.563 3.814 20 0 GHADMP Brc1ccsc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279704505 1047924774 /nfs/dbraw/zinc/92/47/74/1047924774.db2.gz OICHIXXWVXFWAZ-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC001279772546 1047945737 /nfs/dbraw/zinc/94/57/37/1047945737.db2.gz TYEIEXWOMLPBGO-FPOVZHCZSA-N 2 1 377.598 3.541 20 0 GHADMP Cc1c(I)cccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001279792274 1047949943 /nfs/dbraw/zinc/94/99/43/1047949943.db2.gz UJOWYFYSCCCDHD-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP Cc1cc(Cl)c(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001280094562 1048077434 /nfs/dbraw/zinc/07/74/34/1048077434.db2.gz GEEKYXNYOQDVTA-IYBDPMFKSA-N 2 1 398.378 3.534 20 0 GHADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001280094562 1048077451 /nfs/dbraw/zinc/07/74/51/1048077451.db2.gz GEEKYXNYOQDVTA-IYBDPMFKSA-N 2 1 398.378 3.534 20 0 GHADMP Cc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001280094562 1048077464 /nfs/dbraw/zinc/07/74/64/1048077464.db2.gz GEEKYXNYOQDVTA-IYBDPMFKSA-N 2 1 398.378 3.534 20 0 GHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001280217179 1048129634 /nfs/dbraw/zinc/12/96/34/1048129634.db2.gz JYSLTFDXUXFNCM-HNNXBMFYSA-N 2 1 378.479 3.847 20 0 GHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001280217179 1048129638 /nfs/dbraw/zinc/12/96/38/1048129638.db2.gz JYSLTFDXUXFNCM-HNNXBMFYSA-N 2 1 378.479 3.847 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Br)cnc3OC(C)C)(C1)CCC2 ZINC001280326199 1048184748 /nfs/dbraw/zinc/18/47/48/1048184748.db2.gz HDRAIJFDHFBXGW-ZWKOTPCHSA-N 2 1 382.346 3.786 20 0 GHADMP C[N@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307440018 1049277363 /nfs/dbraw/zinc/27/73/63/1049277363.db2.gz KEXBWCBWWWQQDB-GVAUOCQISA-N 2 1 394.559 3.723 20 0 GHADMP C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307440018 1049277376 /nfs/dbraw/zinc/27/73/76/1049277376.db2.gz KEXBWCBWWWQQDB-GVAUOCQISA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307440018 1049277390 /nfs/dbraw/zinc/27/73/90/1049277390.db2.gz KEXBWCBWWWQQDB-GVAUOCQISA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCO[C@@H]1c1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307440018 1049277405 /nfs/dbraw/zinc/27/74/05/1049277405.db2.gz KEXBWCBWWWQQDB-GVAUOCQISA-N 2 1 394.559 3.723 20 0 GHADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307485051 1049324840 /nfs/dbraw/zinc/32/48/40/1049324840.db2.gz BGZLGAJUJPHQSN-AUSIDOKSSA-N 2 1 385.596 3.976 20 0 GHADMP CC[C@@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccccc1 ZINC001307633306 1049463965 /nfs/dbraw/zinc/46/39/65/1049463965.db2.gz RUQOMTATTFOIRE-RUZDIDTESA-N 2 1 393.575 3.944 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750352 1049563401 /nfs/dbraw/zinc/56/34/01/1049563401.db2.gz IJJLBTWYSMAHCI-DENIHFKCSA-N 2 1 397.588 3.924 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccc(F)c(F)c3)C2(C)C)CC1 ZINC001308046538 1049795423 /nfs/dbraw/zinc/79/54/23/1049795423.db2.gz SDGUIGSTPMKDSJ-GOSISDBHSA-N 2 1 393.522 3.522 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1)c1ccccc1 ZINC001308123072 1049865961 /nfs/dbraw/zinc/86/59/61/1049865961.db2.gz TXZYKZITORAQNV-LSDILVGTSA-N 2 1 377.532 3.583 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)c1ccccc1 ZINC001308123072 1049865966 /nfs/dbraw/zinc/86/59/66/1049865966.db2.gz TXZYKZITORAQNV-LSDILVGTSA-N 2 1 377.532 3.583 20 0 GHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001308164174 1049895308 /nfs/dbraw/zinc/89/53/08/1049895308.db2.gz RBSPPDWCWJMKRU-SFHVURJKSA-N 2 1 378.630 3.506 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC001308186290 1049904944 /nfs/dbraw/zinc/90/49/44/1049904944.db2.gz WLSVOPSKRMXMGJ-UHFFFAOYSA-N 2 1 377.330 3.519 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCOCC1 ZINC001308194271 1049907492 /nfs/dbraw/zinc/90/74/92/1049907492.db2.gz ILMGNZUKQXWFPN-HUVFLSCGSA-N 2 1 387.612 3.766 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCOCC1 ZINC001308194271 1049907494 /nfs/dbraw/zinc/90/74/94/1049907494.db2.gz ILMGNZUKQXWFPN-HUVFLSCGSA-N 2 1 387.612 3.766 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC001308204087 1049911659 /nfs/dbraw/zinc/91/16/59/1049911659.db2.gz YQOWLEAPFYFCIS-QHCPKHFHSA-N 2 1 385.596 3.796 20 0 GHADMP C[C@@H]1CCC[C@@](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC001308219280 1049916711 /nfs/dbraw/zinc/91/67/11/1049916711.db2.gz VXUBVHYIHZARLC-IIDMSEBBSA-N 2 1 395.510 3.932 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308281873 1049936497 /nfs/dbraw/zinc/93/64/97/1049936497.db2.gz CXUBXIQQBVHGAO-ZCYQVOJMSA-N 2 1 387.527 3.721 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308281873 1049936498 /nfs/dbraw/zinc/93/64/98/1049936498.db2.gz CXUBXIQQBVHGAO-ZCYQVOJMSA-N 2 1 387.527 3.721 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001308424336 1049972693 /nfs/dbraw/zinc/97/26/93/1049972693.db2.gz IGFRIEPGFZBLON-NRFANRHFSA-N 2 1 375.520 3.659 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001308424336 1049972695 /nfs/dbraw/zinc/97/26/95/1049972695.db2.gz IGFRIEPGFZBLON-NRFANRHFSA-N 2 1 375.520 3.659 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001308681421 1050057910 /nfs/dbraw/zinc/05/79/10/1050057910.db2.gz QZBFFVHDORCWGO-TZIWHRDSSA-N 2 1 383.580 3.842 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC001308731189 1050074227 /nfs/dbraw/zinc/07/42/27/1050074227.db2.gz HDEQSBGKGVNREF-OYRHEFFESA-N 2 1 399.579 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC001308731189 1050074232 /nfs/dbraw/zinc/07/42/32/1050074232.db2.gz HDEQSBGKGVNREF-OYRHEFFESA-N 2 1 399.579 3.745 20 0 GHADMP C[N@@H+](Cc1cc2nc(Cl)ccc2s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001308742695 1050078423 /nfs/dbraw/zinc/07/84/23/1050078423.db2.gz LNGLAHMFRLJBSA-HNNXBMFYSA-N 2 1 378.973 3.550 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001308865000 1050129965 /nfs/dbraw/zinc/12/99/65/1050129965.db2.gz UVPLVGAANXVXBQ-SEBOWIOWSA-N 2 1 379.589 3.876 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C)nc4c3CCCC4)C2)ccn1 ZINC001308875716 1050134284 /nfs/dbraw/zinc/13/42/84/1050134284.db2.gz GUYRRINUHJPCSQ-QFIPXVFZSA-N 2 1 394.563 3.769 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(C)nc4c3CCCC4)C2)ccn1 ZINC001308875716 1050134295 /nfs/dbraw/zinc/13/42/95/1050134295.db2.gz GUYRRINUHJPCSQ-QFIPXVFZSA-N 2 1 394.563 3.769 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(C)nc4c3CCCC4)C2)ccn1 ZINC001308875716 1050134304 /nfs/dbraw/zinc/13/43/04/1050134304.db2.gz GUYRRINUHJPCSQ-QFIPXVFZSA-N 2 1 394.563 3.769 20 0 GHADMP CC1(C)CCC[N@H+]1CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001310423343 1051346382 /nfs/dbraw/zinc/34/63/82/1051346382.db2.gz JSVYCOPYBKNVFR-UHFFFAOYSA-N 2 1 388.556 3.547 20 0 GHADMP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1F ZINC001331972014 1051427360 /nfs/dbraw/zinc/42/73/60/1051427360.db2.gz OTUQKBFKPSVHAY-KBRMVUAJSA-N 2 1 398.522 3.741 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4cc(Br)ccc4o3)C[C@@H]2C1 ZINC001334356598 1051933328 /nfs/dbraw/zinc/93/33/28/1051933328.db2.gz NYUJWPQWANIBLV-VNHYZAJKSA-N 2 1 378.314 3.752 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001335747230 1052161958 /nfs/dbraw/zinc/16/19/58/1052161958.db2.gz OGEILUSQVWAFCV-TZIWHRDSSA-N 2 1 395.478 3.809 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001335747230 1052161967 /nfs/dbraw/zinc/16/19/67/1052161967.db2.gz OGEILUSQVWAFCV-TZIWHRDSSA-N 2 1 395.478 3.809 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001311688155 1052331350 /nfs/dbraw/zinc/33/13/50/1052331350.db2.gz JWQIUKSVTAJDKN-RTWAWAEBSA-N 2 1 388.600 3.660 20 0 GHADMP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311922150 1052478184 /nfs/dbraw/zinc/47/81/84/1052478184.db2.gz VVDCPIRXHHZPQR-SIKLNZKXSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001311922150 1052478194 /nfs/dbraw/zinc/47/81/94/1052478194.db2.gz VVDCPIRXHHZPQR-SIKLNZKXSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001311922150 1052478205 /nfs/dbraw/zinc/47/82/05/1052478205.db2.gz VVDCPIRXHHZPQR-SIKLNZKXSA-N 2 1 386.584 3.728 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC001312164252 1052608783 /nfs/dbraw/zinc/60/87/83/1052608783.db2.gz JYLBPMVSLUTBPW-ICSRJNTNSA-N 2 1 392.975 3.649 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312412662 1052733518 /nfs/dbraw/zinc/73/35/18/1052733518.db2.gz ATHLXOAXPNMEBC-HNAYVOBHSA-N 2 1 398.954 3.549 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC001312557498 1052789807 /nfs/dbraw/zinc/78/98/07/1052789807.db2.gz LFEPESKRNOUADG-FCHUYYIVSA-N 2 1 388.600 3.516 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001312641426 1052821008 /nfs/dbraw/zinc/82/10/08/1052821008.db2.gz AJWWFOPRANSNCS-LEWJYISDSA-N 2 1 388.600 3.879 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001312957372 1052920642 /nfs/dbraw/zinc/92/06/42/1052920642.db2.gz CAPHUHYMMZTTMV-UHFFFAOYSA-N 2 1 394.991 3.535 20 0 GHADMP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001312957372 1052920644 /nfs/dbraw/zinc/92/06/44/1052920644.db2.gz CAPHUHYMMZTTMV-UHFFFAOYSA-N 2 1 394.991 3.535 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001312957372 1052920649 /nfs/dbraw/zinc/92/06/49/1052920649.db2.gz CAPHUHYMMZTTMV-UHFFFAOYSA-N 2 1 394.991 3.535 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001312957372 1052920650 /nfs/dbraw/zinc/92/06/50/1052920650.db2.gz CAPHUHYMMZTTMV-UHFFFAOYSA-N 2 1 394.991 3.535 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001312957372 1052920652 /nfs/dbraw/zinc/92/06/52/1052920652.db2.gz CAPHUHYMMZTTMV-UHFFFAOYSA-N 2 1 394.991 3.535 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001343677192 1053967101 /nfs/dbraw/zinc/96/71/01/1053967101.db2.gz TZEQRSHOJPVHRI-XXBNENTESA-N 2 1 384.568 3.628 20 0 GHADMP CCc1nc2ccc(C(=O)Nc3cnccc3-n3ccnc3C)cc2nc1CC ZINC001318552030 1054714242 /nfs/dbraw/zinc/71/42/42/1054714242.db2.gz CDNTUMKRXBCTNR-UHFFFAOYSA-N 2 1 386.459 3.896 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@H](C)C1 ZINC001319211337 1055097506 /nfs/dbraw/zinc/09/75/06/1055097506.db2.gz MBTPBFPARJJEFL-GCJKJVERSA-N 2 1 377.548 3.521 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC001319342586 1055194233 /nfs/dbraw/zinc/19/42/33/1055194233.db2.gz VRLKYGGQSYRHRM-GMKZXUHWSA-N 2 1 395.591 3.825 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001319342586 1055194241 /nfs/dbraw/zinc/19/42/41/1055194241.db2.gz VRLKYGGQSYRHRM-GMKZXUHWSA-N 2 1 395.591 3.825 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001319342586 1055194248 /nfs/dbraw/zinc/19/42/48/1055194248.db2.gz VRLKYGGQSYRHRM-GMKZXUHWSA-N 2 1 395.591 3.825 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001322756739 1056836613 /nfs/dbraw/zinc/83/66/13/1056836613.db2.gz XHQVNZJIYTXOHE-FGZHOGPDSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001322756739 1056836620 /nfs/dbraw/zinc/83/66/20/1056836620.db2.gz XHQVNZJIYTXOHE-FGZHOGPDSA-N 2 1 381.495 3.597 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[NH+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809287 1057016642 /nfs/dbraw/zinc/01/66/42/1057016642.db2.gz NBTZZMHEUJIVAG-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809287 1057016647 /nfs/dbraw/zinc/01/66/47/1057016647.db2.gz NBTZZMHEUJIVAG-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809287 1057016650 /nfs/dbraw/zinc/01/66/50/1057016650.db2.gz NBTZZMHEUJIVAG-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP F[C@H]1CC2(CC[C@@H]1[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)OCCO2 ZINC001355320112 1057118400 /nfs/dbraw/zinc/11/84/00/1057118400.db2.gz AZWSEJLBKBDNQD-NAQMCUANSA-N 2 1 388.527 3.795 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001326687413 1057535524 /nfs/dbraw/zinc/53/55/24/1057535524.db2.gz IKZQDYNUZUSXLB-UHFFFAOYSA-N 2 1 391.519 3.563 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4ccccc4C4(CCC4)C3)CC2)CC1 ZINC001326767115 1057553572 /nfs/dbraw/zinc/55/35/72/1057553572.db2.gz JNQQIUODDSZFCJ-UHFFFAOYSA-N 2 1 395.591 3.647 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000849060323 1057571420 /nfs/dbraw/zinc/57/14/20/1057571420.db2.gz RQOMXQNIPHJCKB-UHFFFAOYSA-N 2 1 397.542 3.512 20 0 GHADMP c1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC001327004319 1057585052 /nfs/dbraw/zinc/58/50/52/1057585052.db2.gz KMDOPJDSJMDKEL-UHFFFAOYSA-N 2 1 387.531 3.900 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001439894389 1058337942 /nfs/dbraw/zinc/33/79/42/1058337942.db2.gz QQVILBCTBIATBP-ZWKOTPCHSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001439894389 1058337956 /nfs/dbraw/zinc/33/79/56/1058337956.db2.gz QQVILBCTBIATBP-ZWKOTPCHSA-N 2 1 385.474 3.689 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)cc1 ZINC001441370703 1058771009 /nfs/dbraw/zinc/77/10/09/1058771009.db2.gz KAMUMHWQHHORMU-MBSDFSHPSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001441370703 1058771026 /nfs/dbraw/zinc/77/10/26/1058771026.db2.gz KAMUMHWQHHORMU-MBSDFSHPSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001441370703 1058771043 /nfs/dbraw/zinc/77/10/43/1058771043.db2.gz KAMUMHWQHHORMU-MBSDFSHPSA-N 2 1 389.559 3.890 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001442090252 1058916305 /nfs/dbraw/zinc/91/63/05/1058916305.db2.gz VQRSLVIUHSIIMF-FJIJXJHWSA-N 2 1 385.596 3.976 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001445091746 1059460424 /nfs/dbraw/zinc/46/04/24/1059460424.db2.gz QLEHZAORKIQSOH-UPVQGACJSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001445091746 1059460441 /nfs/dbraw/zinc/46/04/41/1059460441.db2.gz QLEHZAORKIQSOH-UPVQGACJSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001445091746 1059460464 /nfs/dbraw/zinc/46/04/64/1059460464.db2.gz QLEHZAORKIQSOH-UPVQGACJSA-N 2 1 383.580 3.623 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001340221763 1059775297 /nfs/dbraw/zinc/77/52/97/1059775297.db2.gz FPLMNDYBTGKAMG-FCHUYYIVSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(SCC[NH+]4CCCC4)cc3)C[N@H+]2C1 ZINC001452774898 1061010035 /nfs/dbraw/zinc/01/00/35/1061010035.db2.gz HBRQWVLVPBNGSL-HBFSDRIKSA-N 2 1 387.593 3.933 20 0 GHADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346018241 1061293910 /nfs/dbraw/zinc/29/39/10/1061293910.db2.gz SSGKZYHHCJPBQG-HXUWFJFHSA-N 2 1 391.559 3.746 20 0 GHADMP CCc1cccc(CC)c1NC(=[NH2+])NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001346588915 1061708124 /nfs/dbraw/zinc/70/81/24/1061708124.db2.gz RJOWXDQJHPAXGL-UHFFFAOYSA-N 2 1 393.579 3.695 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H](C[NH+](C)C)c3cccc(C(F)(F)F)c3)C[N@H+]2C1 ZINC001454540253 1061825728 /nfs/dbraw/zinc/82/57/28/1061825728.db2.gz RDRAVBPQYRKPPJ-TWKWOARYSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC001347514948 1062458069 /nfs/dbraw/zinc/45/80/69/1062458069.db2.gz NXYZXZSQAJUDJM-CMTKHCJTSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC001347514948 1062458082 /nfs/dbraw/zinc/45/80/82/1062458082.db2.gz NXYZXZSQAJUDJM-CMTKHCJTSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC001347514948 1062458093 /nfs/dbraw/zinc/45/80/93/1062458093.db2.gz NXYZXZSQAJUDJM-CMTKHCJTSA-N 2 1 398.595 3.696 20 0 GHADMP CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC001459313583 1064058794 /nfs/dbraw/zinc/05/87/94/1064058794.db2.gz NVLCGBLGKUEKAD-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP CC[NH+](CCc1ccccc1)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001459313583 1064058800 /nfs/dbraw/zinc/05/88/00/1064058800.db2.gz NVLCGBLGKUEKAD-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP CC[NH+](CCc1ccccc1)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001459313583 1064058806 /nfs/dbraw/zinc/05/88/06/1064058806.db2.gz NVLCGBLGKUEKAD-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459611486 1064141865 /nfs/dbraw/zinc/14/18/65/1064141865.db2.gz AMTKLPJBDYRQCB-XMMPIXPASA-N 2 1 379.548 3.620 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC001459611486 1064141871 /nfs/dbraw/zinc/14/18/71/1064141871.db2.gz AMTKLPJBDYRQCB-XMMPIXPASA-N 2 1 379.548 3.620 20 0 GHADMP O[C@]1(C[NH+]2CCC(Nc3ccccc3Cl)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001459660028 1064157637 /nfs/dbraw/zinc/15/76/37/1064157637.db2.gz BAAQLNWZEKFMTF-QHCPKHFHSA-N 2 1 399.966 3.853 20 0 GHADMP O[C@]1(C[NH+]2CCC(Nc3ccccc3Cl)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001459660028 1064157646 /nfs/dbraw/zinc/15/76/46/1064157646.db2.gz BAAQLNWZEKFMTF-QHCPKHFHSA-N 2 1 399.966 3.853 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2CCCCC2)cc1OC ZINC001459783383 1064215857 /nfs/dbraw/zinc/21/58/57/1064215857.db2.gz ALKWSIIKZDZMRK-HXUWFJFHSA-N 2 1 378.557 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2CCCCC2)cc1OC ZINC001459783383 1064215865 /nfs/dbraw/zinc/21/58/65/1064215865.db2.gz ALKWSIIKZDZMRK-HXUWFJFHSA-N 2 1 378.557 3.540 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC(C)(C)CC(C)(C)C3)CC2)cc1 ZINC001459900085 1064262509 /nfs/dbraw/zinc/26/25/09/1064262509.db2.gz JISYOESGOVUEBP-UHFFFAOYSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H]3CCC(C)(C)C[C@@H]3C)CC2)cc1 ZINC001459999573 1064332053 /nfs/dbraw/zinc/33/20/53/1064332053.db2.gz VDJXUVZNXNNQBC-UNMCSNQZSA-N 2 1 385.596 3.834 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1cccc(OC)c1 ZINC001463909763 1064712374 /nfs/dbraw/zinc/71/23/74/1064712374.db2.gz AGDZDTWFFLDUSI-FCHUYYIVSA-N 2 1 387.568 3.601 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[NH+]3CCC[C@@H](C)C3)C[N@H+]2C1 ZINC001464161626 1064878277 /nfs/dbraw/zinc/87/82/77/1064878277.db2.gz VQYWDAQMEYOKTN-NNLJWKLDSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)C[NH+]2C1 ZINC001464161626 1064878287 /nfs/dbraw/zinc/87/82/87/1064878287.db2.gz VQYWDAQMEYOKTN-NNLJWKLDSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)C[NH+]2C1 ZINC001464161626 1064878300 /nfs/dbraw/zinc/87/83/00/1064878300.db2.gz VQYWDAQMEYOKTN-NNLJWKLDSA-N 2 1 383.580 3.655 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc(OC(F)(F)F)c3)c2)CC1 ZINC001200046402 1065067297 /nfs/dbraw/zinc/06/72/97/1065067297.db2.gz PGNKSKSPPNRVHV-UHFFFAOYSA-N 2 1 393.453 3.622 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC001200069380 1065121653 /nfs/dbraw/zinc/12/16/53/1065121653.db2.gz HEPKISAGRWSZIR-HXUWFJFHSA-N 2 1 388.556 3.546 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3ccc(Oc4cnccn4)cc3)C2)cc1 ZINC001200094697 1065200873 /nfs/dbraw/zinc/20/08/73/1065200873.db2.gz BXWZOJVWMXOEBG-JOCHJYFZSA-N 2 1 388.515 3.923 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc(C)c(Cl)c3)CC2)CC1 ZINC000847493207 1065444929 /nfs/dbraw/zinc/44/49/29/1065444929.db2.gz DICJENUXQJRMRB-UHFFFAOYSA-N 2 1 377.960 3.808 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C[N@H+]2C1 ZINC001465257158 1065505130 /nfs/dbraw/zinc/50/51/30/1065505130.db2.gz FXJOIBYLBRUHAB-XDOCFNAUSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C[NH+]2C1 ZINC001465257158 1065505143 /nfs/dbraw/zinc/50/51/43/1065505143.db2.gz FXJOIBYLBRUHAB-XDOCFNAUSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C[NH+]2C1 ZINC001465257158 1065505155 /nfs/dbraw/zinc/50/51/55/1065505155.db2.gz FXJOIBYLBRUHAB-XDOCFNAUSA-N 2 1 383.580 3.618 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001466962643 1066415524 /nfs/dbraw/zinc/41/55/24/1066415524.db2.gz RNVYNZHGYSRIFI-FQEVSTJZSA-N 2 1 377.960 3.639 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001466962643 1066415528 /nfs/dbraw/zinc/41/55/28/1066415528.db2.gz RNVYNZHGYSRIFI-FQEVSTJZSA-N 2 1 377.960 3.639 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001477652074 1078509284 /nfs/dbraw/zinc/50/92/84/1078509284.db2.gz IJICZGWWIPCDBT-FGZHOGPDSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001477652074 1078509292 /nfs/dbraw/zinc/50/92/92/1078509292.db2.gz IJICZGWWIPCDBT-FGZHOGPDSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001477652074 1078509298 /nfs/dbraw/zinc/50/92/98/1078509298.db2.gz IJICZGWWIPCDBT-FGZHOGPDSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4C)cc2)C1 ZINC001467605148 1067381888 /nfs/dbraw/zinc/38/18/88/1067381888.db2.gz FEWLMIRZODRNBI-JFSTXAPLSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)cc2)C1 ZINC001467605148 1067381897 /nfs/dbraw/zinc/38/18/97/1067381897.db2.gz FEWLMIRZODRNBI-JFSTXAPLSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)cc2)C1 ZINC001467605148 1067381905 /nfs/dbraw/zinc/38/19/05/1067381905.db2.gz FEWLMIRZODRNBI-JFSTXAPLSA-N 2 1 398.595 3.543 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC001467766371 1067459159 /nfs/dbraw/zinc/45/91/59/1067459159.db2.gz GEIUEPNDCJVARU-FGZHOGPDSA-N 2 1 388.600 3.831 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001467782066 1067466587 /nfs/dbraw/zinc/46/65/87/1067466587.db2.gz YODHWAJXWBOVNI-KNQAVFIVSA-N 2 1 385.596 3.566 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)c2ccccc2)CC1 ZINC001468177878 1067621844 /nfs/dbraw/zinc/62/18/44/1067621844.db2.gz SPMHZGMLQVFEAT-NRFANRHFSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001468211707 1067633587 /nfs/dbraw/zinc/63/35/87/1067633587.db2.gz QHTGVKDWUNGRBZ-HSALFYBXSA-N 2 1 380.621 3.697 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001468247698 1067649940 /nfs/dbraw/zinc/64/99/40/1067649940.db2.gz NTPVPQLTZHILQJ-VQIMIIECSA-N 2 1 394.991 3.752 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC001477797709 1078571048 /nfs/dbraw/zinc/57/10/48/1078571048.db2.gz WWAWPIYYMNCXQY-VWPQPMDRSA-N 2 1 388.600 3.940 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC001477799527 1078571537 /nfs/dbraw/zinc/57/15/37/1078571537.db2.gz RARCZXZSGUREFK-PMACEKPBSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001477799527 1078571541 /nfs/dbraw/zinc/57/15/41/1078571541.db2.gz RARCZXZSGUREFK-PMACEKPBSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC001477799527 1078571545 /nfs/dbraw/zinc/57/15/45/1078571545.db2.gz RARCZXZSGUREFK-PMACEKPBSA-N 2 1 380.621 3.841 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000849098964 1067726966 /nfs/dbraw/zinc/72/69/66/1067726966.db2.gz VIYOABXKHCBESZ-LIRRHRJNSA-N 2 1 388.537 3.785 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001477888527 1078612378 /nfs/dbraw/zinc/61/23/78/1078612378.db2.gz XIRIDUPOQBTWDG-JOCHJYFZSA-N 2 1 386.584 3.605 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001478058180 1078695584 /nfs/dbraw/zinc/69/55/84/1078695584.db2.gz QRZGKQURKZVIFT-OAQYLSRUSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)C ZINC001478056566 1078694226 /nfs/dbraw/zinc/69/42/26/1078694226.db2.gz CVMZUAGCWIAMEW-DWLFOUALSA-N 2 1 386.584 3.550 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001470013100 1068522790 /nfs/dbraw/zinc/52/27/90/1068522790.db2.gz SDMGOVGOKLCWOL-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)n2)cc1F ZINC001460303329 1068915550 /nfs/dbraw/zinc/91/55/50/1068915550.db2.gz DUDSDQVBJOJDMK-MRXNPFEDSA-N 2 1 381.455 3.852 20 0 GHADMP Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCCN(c4cc[nH+]cc4)CC3)n2)cc1F ZINC001460303329 1068915551 /nfs/dbraw/zinc/91/55/51/1068915551.db2.gz DUDSDQVBJOJDMK-MRXNPFEDSA-N 2 1 381.455 3.852 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[NH+](CCCF)CC1)c1ccccc1 ZINC001460563629 1068997658 /nfs/dbraw/zinc/99/76/58/1068997658.db2.gz XNEVGYQRTJAHHI-XMMPIXPASA-N 2 1 383.555 3.879 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@]3(C)C3CCCCC3)cc2)CC1 ZINC001460688975 1069088357 /nfs/dbraw/zinc/08/83/57/1069088357.db2.gz XZCCQLUHSDEQHU-XMMPIXPASA-N 2 1 398.595 3.812 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001460744891 1069150632 /nfs/dbraw/zinc/15/06/32/1069150632.db2.gz DSVNLHOABWVIRW-RQTOMXEWSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001460744891 1069150638 /nfs/dbraw/zinc/15/06/38/1069150638.db2.gz DSVNLHOABWVIRW-RQTOMXEWSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001460744891 1069150645 /nfs/dbraw/zinc/15/06/45/1069150645.db2.gz DSVNLHOABWVIRW-RQTOMXEWSA-N 2 1 397.607 3.725 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001478586562 1078926316 /nfs/dbraw/zinc/92/63/16/1078926316.db2.gz ZMDNZHMGGBQBRP-SFHVURJKSA-N 2 1 380.621 3.649 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC001478590336 1078927254 /nfs/dbraw/zinc/92/72/54/1078927254.db2.gz OAHYXBFVGIBQSL-NRFANRHFSA-N 2 1 386.584 3.591 20 0 GHADMP CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC001478734335 1078970191 /nfs/dbraw/zinc/97/01/91/1078970191.db2.gz AWJDZKGNAAGZDD-YADHBBJMSA-N 2 1 388.600 3.758 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001471556926 1073132472 /nfs/dbraw/zinc/13/24/72/1073132472.db2.gz KBTFCCPCMMZHMV-DHIUTWEWSA-N 2 1 392.547 3.603 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001471556926 1073132479 /nfs/dbraw/zinc/13/24/79/1073132479.db2.gz KBTFCCPCMMZHMV-DHIUTWEWSA-N 2 1 392.547 3.603 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001471556926 1073132485 /nfs/dbraw/zinc/13/24/85/1073132485.db2.gz KBTFCCPCMMZHMV-DHIUTWEWSA-N 2 1 392.547 3.603 20 0 GHADMP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001478956663 1079038558 /nfs/dbraw/zinc/03/85/58/1079038558.db2.gz DUARQNJPNUGXLH-KSEOMHKRSA-N 2 1 388.600 3.626 20 0 GHADMP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001478956663 1079038565 /nfs/dbraw/zinc/03/85/65/1079038565.db2.gz DUARQNJPNUGXLH-KSEOMHKRSA-N 2 1 388.600 3.626 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001472331188 1073427868 /nfs/dbraw/zinc/42/78/68/1073427868.db2.gz PBPMVYMQIUICOM-VJBWXMMDSA-N 2 1 383.580 3.620 20 0 GHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001472495464 1073512888 /nfs/dbraw/zinc/51/28/88/1073512888.db2.gz RWXFVIPBSZFQHF-LVCYWYKZSA-N 2 1 389.584 3.607 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001479138912 1079119258 /nfs/dbraw/zinc/11/92/58/1079119258.db2.gz BETVYPWFCHEASN-QFIPXVFZSA-N 2 1 386.584 3.653 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC3(CCOCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC001473205475 1073857631 /nfs/dbraw/zinc/85/76/31/1073857631.db2.gz HZJOFRGMBGNBEU-MZYLBHOOSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCC3(CCOCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC001473205475 1073857645 /nfs/dbraw/zinc/85/76/45/1073857645.db2.gz HZJOFRGMBGNBEU-MZYLBHOOSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC3(CCOCC3)CO2)CC[NH+]1Cc1ccccc1 ZINC001473205475 1073857662 /nfs/dbraw/zinc/85/76/62/1073857662.db2.gz HZJOFRGMBGNBEU-MZYLBHOOSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC3(CCOCC3)CO2)CC[NH+]1Cc1ccccc1 ZINC001473205475 1073857678 /nfs/dbraw/zinc/85/76/78/1073857678.db2.gz HZJOFRGMBGNBEU-MZYLBHOOSA-N 2 1 386.580 3.947 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC001473231722 1073876817 /nfs/dbraw/zinc/87/68/17/1073876817.db2.gz RGRLVXYTBRBLNB-RPWUZVMVSA-N 2 1 391.559 3.948 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC34CCCCC4)CC2)cc1 ZINC001473287817 1073907160 /nfs/dbraw/zinc/90/71/60/1073907160.db2.gz PAIFNPUAFRWXMO-UHFFFAOYSA-N 2 1 383.580 3.828 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC34CCCCC4)CC2)cc1 ZINC001473287817 1073907164 /nfs/dbraw/zinc/90/71/64/1073907164.db2.gz PAIFNPUAFRWXMO-UHFFFAOYSA-N 2 1 383.580 3.828 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC34CCCCC4)CC2)cc1 ZINC001473287817 1073907167 /nfs/dbraw/zinc/90/71/67/1073907167.db2.gz PAIFNPUAFRWXMO-UHFFFAOYSA-N 2 1 383.580 3.828 20 0 GHADMP CC[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001479349661 1079186460 /nfs/dbraw/zinc/18/64/60/1079186460.db2.gz YZBYUOZPMGNYEM-HSZRJFAPSA-N 2 1 396.579 3.958 20 0 GHADMP COc1cccc([C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)c1 ZINC001473739006 1074116971 /nfs/dbraw/zinc/11/69/71/1074116971.db2.gz NDTMFTAMTSCQLX-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP COc1cccc([C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)c1 ZINC001473739006 1074116975 /nfs/dbraw/zinc/11/69/75/1074116975.db2.gz NDTMFTAMTSCQLX-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP COc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1Cl ZINC001473927632 1074207124 /nfs/dbraw/zinc/20/71/24/1074207124.db2.gz UXRXHVZQLZYPAQ-NRFANRHFSA-N 2 1 387.955 3.817 20 0 GHADMP COc1cc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)n1 ZINC001473929343 1074207914 /nfs/dbraw/zinc/20/79/14/1074207914.db2.gz DQKGBOVHZNMLHM-HDICACEKSA-N 2 1 383.536 3.606 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)C1 ZINC001473932271 1074208992 /nfs/dbraw/zinc/20/89/92/1074208992.db2.gz YGHJVVBOLHJSPS-CQSZACIVSA-N 2 1 377.330 3.694 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)C1 ZINC001473932271 1074208996 /nfs/dbraw/zinc/20/89/96/1074208996.db2.gz YGHJVVBOLHJSPS-CQSZACIVSA-N 2 1 377.330 3.694 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(CSC)cc2)CC1 ZINC001473935683 1074210395 /nfs/dbraw/zinc/21/03/95/1074210395.db2.gz COPHQYUOMSBNCD-UHFFFAOYSA-N 2 1 383.605 3.977 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1-n1cncn1 ZINC001474036172 1074243168 /nfs/dbraw/zinc/24/31/68/1074243168.db2.gz VDHAYGOCTAWKAE-SIKLNZKXSA-N 2 1 375.520 3.718 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(Br)c3)[C@H]2C1 ZINC001474302874 1074331234 /nfs/dbraw/zinc/33/12/34/1074331234.db2.gz JCDGBUNPVHFTLN-TUKIKUTGSA-N 2 1 388.147 3.641 20 0 GHADMP COc1cccc2c(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)cccc12 ZINC001474331225 1074345979 /nfs/dbraw/zinc/34/59/79/1074345979.db2.gz BPRLIWCQPMTZKM-BGYRXZFFSA-N 2 1 381.564 3.839 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(Sc2ccccn2)o1 ZINC001474501218 1074434436 /nfs/dbraw/zinc/43/44/36/1074434436.db2.gz WXLPRXWETPDURM-GOSISDBHSA-N 2 1 388.581 3.674 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506060 1074437744 /nfs/dbraw/zinc/43/77/44/1074437744.db2.gz ZUZANMZAFVSJHX-UNMCSNQZSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506060 1074437747 /nfs/dbraw/zinc/43/77/47/1074437747.db2.gz ZUZANMZAFVSJHX-UNMCSNQZSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506060 1074437749 /nfs/dbraw/zinc/43/77/49/1074437749.db2.gz ZUZANMZAFVSJHX-UNMCSNQZSA-N 2 1 399.579 3.896 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001476124579 1075089008 /nfs/dbraw/zinc/08/90/08/1075089008.db2.gz OQXKZZNFSBTBMH-LEWJYISDSA-N 2 1 388.556 3.546 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820702954 607472788 /nfs/dbraw/zinc/47/27/88/607472788.db2.gz BUNDQZCDWNPUBT-MRXNPFEDSA-N 2 1 394.498 3.670 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820702954 607472789 /nfs/dbraw/zinc/47/27/89/607472789.db2.gz BUNDQZCDWNPUBT-MRXNPFEDSA-N 2 1 394.498 3.670 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627604 609325042 /nfs/dbraw/zinc/32/50/42/609325042.db2.gz ZRQUAIISQCQCQI-INIZCTEOSA-N 2 1 394.498 3.843 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ncccc4C[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001164622281 719111629 /nfs/dbraw/zinc/11/16/29/719111629.db2.gz BPRWQZKCRXMCQY-GGAORHGYSA-N 2 1 376.548 3.778 20 0 GHADMP CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)nc1 ZINC001164876354 721327918 /nfs/dbraw/zinc/32/79/18/721327918.db2.gz PFXRVQVGRJODCM-IBGZPJMESA-N 2 1 385.556 3.653 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC(N(C)C)=[NH+]O3)CC2)nc1 ZINC001164876354 721327920 /nfs/dbraw/zinc/32/79/20/721327920.db2.gz PFXRVQVGRJODCM-IBGZPJMESA-N 2 1 385.556 3.653 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C)CC2CC[NH+](C)CC2)n1 ZINC001165042004 721937217 /nfs/dbraw/zinc/93/72/17/721937217.db2.gz AIAAKKMKXVKYMU-UHFFFAOYSA-N 2 1 389.613 3.928 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431780517 837469298 /nfs/dbraw/zinc/46/92/98/837469298.db2.gz FSXRRMNKPKBXAO-IBGZPJMESA-N 2 1 375.582 3.747 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173141082 837574367 /nfs/dbraw/zinc/57/43/67/837574367.db2.gz FUPKCGVFPINRLY-FQEVSTJZSA-N 2 1 390.572 3.745 20 0 GHADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000654701053 834348669 /nfs/dbraw/zinc/34/86/69/834348669.db2.gz UIYLZHLLOMSFDO-QHCPKHFHSA-N 2 1 383.580 3.623 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000650705743 834526163 /nfs/dbraw/zinc/52/61/63/834526163.db2.gz UIKLLASFOXLQNJ-CQOQZXRMSA-N 2 1 380.532 3.984 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000458572392 834559122 /nfs/dbraw/zinc/55/91/22/834559122.db2.gz DOYAPUIYPJRCJJ-QZTJIDSGSA-N 2 1 380.964 3.505 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000458572392 834559132 /nfs/dbraw/zinc/55/91/32/834559132.db2.gz DOYAPUIYPJRCJJ-QZTJIDSGSA-N 2 1 380.964 3.505 20 0 GHADMP CC[C@H]1c2ccccc2CCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654792619 834570060 /nfs/dbraw/zinc/57/00/60/834570060.db2.gz VXGBNLLMRLVKLJ-QHCPKHFHSA-N 2 1 383.580 3.719 20 0 GHADMP C[C@@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000089595063 834594917 /nfs/dbraw/zinc/59/49/17/834594917.db2.gz OMCIHZJMYCXVCC-GGAORHGYSA-N 2 1 385.596 3.664 20 0 GHADMP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(-c2ccccn2)n1 ZINC000657772203 834683694 /nfs/dbraw/zinc/68/36/94/834683694.db2.gz KKQLYGYPZCXIAA-OAQYLSRUSA-N 2 1 387.531 3.659 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657875691 834870393 /nfs/dbraw/zinc/87/03/93/834870393.db2.gz HRZLFPUEKIAPTH-TZIWHRDSSA-N 2 1 391.987 3.899 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000657877512 834878280 /nfs/dbraw/zinc/87/82/80/834878280.db2.gz RVAQRMRYCVITPS-XMMPIXPASA-N 2 1 385.596 3.795 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC(C)(C)c3ccc(C)cc3)CC2)CC1 ZINC000583702233 834896846 /nfs/dbraw/zinc/89/68/46/834896846.db2.gz NLQPGPYMMPODDP-UHFFFAOYSA-N 2 1 399.623 3.927 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000519937815 834930639 /nfs/dbraw/zinc/93/06/39/834930639.db2.gz SCCBETDQRBWUBT-RTBURBONSA-N 2 1 388.600 3.694 20 0 GHADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000109015788 835054978 /nfs/dbraw/zinc/05/49/78/835054978.db2.gz FOSGMOLOGKFPKZ-GGAORHGYSA-N 2 1 395.522 3.553 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000109015788 835054990 /nfs/dbraw/zinc/05/49/90/835054990.db2.gz FOSGMOLOGKFPKZ-GGAORHGYSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000109015788 835055002 /nfs/dbraw/zinc/05/50/02/835055002.db2.gz FOSGMOLOGKFPKZ-GGAORHGYSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000109015788 835055012 /nfs/dbraw/zinc/05/50/12/835055012.db2.gz FOSGMOLOGKFPKZ-GGAORHGYSA-N 2 1 395.522 3.553 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000583812126 835073428 /nfs/dbraw/zinc/07/34/28/835073428.db2.gz RLZZTGNZWRBFPI-MQSCRBSSSA-N 3 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000583812126 835073439 /nfs/dbraw/zinc/07/34/39/835073439.db2.gz RLZZTGNZWRBFPI-MQSCRBSSSA-N 3 1 385.596 3.663 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779671 835130401 /nfs/dbraw/zinc/13/04/01/835130401.db2.gz MOXZCHPFSUEGBI-PMACEKPBSA-N 2 1 395.551 3.716 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779671 835130411 /nfs/dbraw/zinc/13/04/11/835130411.db2.gz MOXZCHPFSUEGBI-PMACEKPBSA-N 2 1 395.551 3.716 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779671 835130415 /nfs/dbraw/zinc/13/04/15/835130415.db2.gz MOXZCHPFSUEGBI-PMACEKPBSA-N 2 1 395.551 3.716 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779671 835130420 /nfs/dbraw/zinc/13/04/20/835130420.db2.gz MOXZCHPFSUEGBI-PMACEKPBSA-N 2 1 395.551 3.716 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000583962234 835301804 /nfs/dbraw/zinc/30/18/04/835301804.db2.gz KACLIMRJSSYMBH-OAUWFCSDSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000583962234 835301821 /nfs/dbraw/zinc/30/18/21/835301821.db2.gz KACLIMRJSSYMBH-OAUWFCSDSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000536171534 835302912 /nfs/dbraw/zinc/30/29/12/835302912.db2.gz NHTPDXUAKGVQCH-LJQANCHMSA-N 2 1 383.580 3.834 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccccc4C)CCC3)CC2)CC1 ZINC000655161922 835318373 /nfs/dbraw/zinc/31/83/73/835318373.db2.gz GFKSDEQNQOCHJU-UHFFFAOYSA-N 2 1 383.580 3.687 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1OC(F)F ZINC000658142170 835452789 /nfs/dbraw/zinc/45/27/89/835452789.db2.gz VCLXDCVXFDZHHV-KBXCAEBGSA-N 2 1 394.437 3.845 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OCC ZINC000658141614 835453062 /nfs/dbraw/zinc/45/30/62/835453062.db2.gz SNGVLDAPOREABS-XMSQKQJNSA-N 2 1 398.547 3.901 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142619 835453091 /nfs/dbraw/zinc/45/30/91/835453091.db2.gz ZDAJAVLQVXNWRZ-CVDCTZTESA-N 2 1 380.532 3.774 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140492 835467241 /nfs/dbraw/zinc/46/72/41/835467241.db2.gz UQYHGDCTKDNASA-UGKGYDQZSA-N 2 1 395.503 3.587 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274862620 835704738 /nfs/dbraw/zinc/70/47/38/835704738.db2.gz DDEIUXTUWBMGLX-KNQAVFIVSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274862619 835705152 /nfs/dbraw/zinc/70/51/52/835705152.db2.gz DDEIUXTUWBMGLX-DENIHFKCSA-N 2 1 395.547 3.640 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000448213442 835787997 /nfs/dbraw/zinc/78/79/97/835787997.db2.gz MHRDCUKIKUPTNK-SVFBPWRDSA-N 2 1 390.616 3.545 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000448213442 835788007 /nfs/dbraw/zinc/78/80/07/835788007.db2.gz MHRDCUKIKUPTNK-SVFBPWRDSA-N 2 1 390.616 3.545 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000448213442 835788018 /nfs/dbraw/zinc/78/80/18/835788018.db2.gz MHRDCUKIKUPTNK-SVFBPWRDSA-N 2 1 390.616 3.545 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000584307525 835864083 /nfs/dbraw/zinc/86/40/83/835864083.db2.gz OILCOMIYLSZRMV-LJQANCHMSA-N 2 1 377.326 3.643 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000584307525 835864087 /nfs/dbraw/zinc/86/40/87/835864087.db2.gz OILCOMIYLSZRMV-LJQANCHMSA-N 2 1 377.326 3.643 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000584307525 835864092 /nfs/dbraw/zinc/86/40/92/835864092.db2.gz OILCOMIYLSZRMV-LJQANCHMSA-N 2 1 377.326 3.643 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000584307525 835864097 /nfs/dbraw/zinc/86/40/97/835864097.db2.gz OILCOMIYLSZRMV-LJQANCHMSA-N 2 1 377.326 3.643 20 0 GHADMP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC(C)(C)C1 ZINC000584374772 835936359 /nfs/dbraw/zinc/93/63/59/835936359.db2.gz RYIYNPXDVQTSGF-QGZVFWFLSA-N 2 1 375.582 3.542 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000081632010 835967282 /nfs/dbraw/zinc/96/72/82/835967282.db2.gz RKZJBHBNSRAFKA-XYJFISCASA-N 2 1 377.960 3.569 20 0 GHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1cccc(Br)c1 ZINC000173600948 836221330 /nfs/dbraw/zinc/22/13/30/836221330.db2.gz BVNUVVXBULLNOY-MRXNPFEDSA-N 2 1 394.357 3.586 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483548 844156458 /nfs/dbraw/zinc/15/64/58/844156458.db2.gz HNEODEJGNDCHTA-NFBKMPQASA-N 2 1 379.548 3.523 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000246939066 836381845 /nfs/dbraw/zinc/38/18/45/836381845.db2.gz QSRUPYYXWZOJGJ-ZWCUEREDSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000246939066 836381859 /nfs/dbraw/zinc/38/18/59/836381859.db2.gz QSRUPYYXWZOJGJ-ZWCUEREDSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+]1CCc2ccccc2C1 ZINC000246939066 836381868 /nfs/dbraw/zinc/38/18/68/836381868.db2.gz QSRUPYYXWZOJGJ-ZWCUEREDSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCc2ccccc2C1 ZINC000246939066 836381879 /nfs/dbraw/zinc/38/18/79/836381879.db2.gz QSRUPYYXWZOJGJ-ZWCUEREDSA-N 2 1 397.588 3.694 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)CC1 ZINC000613432568 836386088 /nfs/dbraw/zinc/38/60/88/836386088.db2.gz YSWAFHYFWWVWFA-UHFFFAOYSA-N 2 1 383.580 3.873 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000513052680 844158266 /nfs/dbraw/zinc/15/82/66/844158266.db2.gz VMUXAKWPUYQQCA-HXUWFJFHSA-N 2 1 384.593 3.973 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3-c3ccnn3C)c2)CCO1 ZINC000510167580 836471288 /nfs/dbraw/zinc/47/12/88/836471288.db2.gz FFGGJLOSEFDOGI-IBGZPJMESA-N 2 1 390.531 3.598 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3-c3ccnn3C)c2)CCO1 ZINC000510167580 836471292 /nfs/dbraw/zinc/47/12/92/836471292.db2.gz FFGGJLOSEFDOGI-IBGZPJMESA-N 2 1 390.531 3.598 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000431674374 836672654 /nfs/dbraw/zinc/67/26/54/836672654.db2.gz DFNWSTMAMJATEQ-DXIQSLLYSA-N 2 1 392.632 3.649 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000892580253 836736023 /nfs/dbraw/zinc/73/60/23/836736023.db2.gz IEEQXZADKGQMGE-MRXNPFEDSA-N 2 1 387.549 3.842 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)s1 ZINC000892580253 836736025 /nfs/dbraw/zinc/73/60/25/836736025.db2.gz IEEQXZADKGQMGE-MRXNPFEDSA-N 2 1 387.549 3.842 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000471276883 836794300 /nfs/dbraw/zinc/79/43/00/836794300.db2.gz KRPKPUCDBTUARN-NQIIRXRSSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000471276883 836794309 /nfs/dbraw/zinc/79/43/09/836794309.db2.gz KRPKPUCDBTUARN-NQIIRXRSSA-N 2 1 385.939 3.581 20 0 GHADMP CC[C@@H]1CCC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431684503 836795147 /nfs/dbraw/zinc/79/51/47/836795147.db2.gz FZVUPKPNRYLRQG-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000175645269 836924942 /nfs/dbraw/zinc/92/49/42/836924942.db2.gz LCNBIOBWYNEFEP-PUHATCMVSA-N 2 1 398.595 3.699 20 0 GHADMP CSc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000685848040 837269573 /nfs/dbraw/zinc/26/95/73/837269573.db2.gz TWTRAMLQOOMQLM-HOTGVXAUSA-N 2 1 384.611 3.560 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000644190346 837351681 /nfs/dbraw/zinc/35/16/81/837351681.db2.gz XYBLSRHTCNHVHW-AKIFATBCSA-N 2 1 392.547 3.876 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000655793512 837913189 /nfs/dbraw/zinc/91/31/89/837913189.db2.gz YLZPSAXBMRMWOW-UHFFFAOYSA-N 2 1 391.357 3.907 20 0 GHADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000659865928 837965217 /nfs/dbraw/zinc/96/52/17/837965217.db2.gz RLCCSNFDEBCHEI-OALUTQOASA-N 2 1 380.527 3.597 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431851658 837966712 /nfs/dbraw/zinc/96/67/12/837966712.db2.gz QIILNAPUAGIKLO-GGAORHGYSA-N 2 1 379.548 3.660 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(Cl)c1 ZINC000576349815 844279843 /nfs/dbraw/zinc/27/98/43/844279843.db2.gz GVMOBNYVACUYPC-FQEVSTJZSA-N 2 1 385.939 3.636 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(Cl)c1 ZINC000576349815 844279855 /nfs/dbraw/zinc/27/98/55/844279855.db2.gz GVMOBNYVACUYPC-FQEVSTJZSA-N 2 1 385.939 3.636 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1C(F)(F)F ZINC000893085518 838004449 /nfs/dbraw/zinc/00/44/49/838004449.db2.gz FVTIRGRTRRKGGJ-IKDFJIFVSA-N 2 1 376.463 3.502 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1C(F)(F)F ZINC000893085518 838004462 /nfs/dbraw/zinc/00/44/62/838004462.db2.gz FVTIRGRTRRKGGJ-IKDFJIFVSA-N 2 1 376.463 3.502 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000121418512 838014074 /nfs/dbraw/zinc/01/40/74/838014074.db2.gz WYZCVOAEKGXRHO-KGLIPLIRSA-N 2 1 393.329 3.597 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000312917612 838166018 /nfs/dbraw/zinc/16/60/18/838166018.db2.gz LVIKJRNIUZRYBN-GOSISDBHSA-N 2 1 380.458 3.837 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000312917612 838166021 /nfs/dbraw/zinc/16/60/21/838166021.db2.gz LVIKJRNIUZRYBN-GOSISDBHSA-N 2 1 380.458 3.837 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000579973985 838225238 /nfs/dbraw/zinc/22/52/38/838225238.db2.gz RTSIUJIFXLOMBJ-JLMDMGSGSA-N 2 1 381.564 3.705 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3SC)CC2)CC1 ZINC000579977027 838240350 /nfs/dbraw/zinc/24/03/50/838240350.db2.gz VHOVFLVOQQLXFS-KRWDZBQOSA-N 2 1 389.609 3.782 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415963890 838323449 /nfs/dbraw/zinc/32/34/49/838323449.db2.gz WLAXYGOENCGCCU-IAGOWNOFSA-N 2 1 388.531 3.590 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415971418 838338805 /nfs/dbraw/zinc/33/88/05/838338805.db2.gz JQCINKDFIKBGFI-NRFANRHFSA-N 2 1 398.526 3.750 20 0 GHADMP [NH3+][C@H](CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000659383101 838346347 /nfs/dbraw/zinc/34/63/47/838346347.db2.gz UBRRAQAXXWOGMF-XZOQPEGZSA-N 2 1 391.559 3.885 20 0 GHADMP CCC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000416011218 838389974 /nfs/dbraw/zinc/38/99/74/838389974.db2.gz PCZAUUTYELYUPA-JOCHJYFZSA-N 2 1 378.520 3.808 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275691014 838425039 /nfs/dbraw/zinc/42/50/39/838425039.db2.gz WYGSLIGUXHOHQP-YJMBLLCNSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275691014 838425043 /nfs/dbraw/zinc/42/50/43/838425043.db2.gz WYGSLIGUXHOHQP-YJMBLLCNSA-N 2 1 382.552 3.766 20 0 GHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC000378165747 838544972 /nfs/dbraw/zinc/54/49/72/838544972.db2.gz JEGAYQQQNNDQPK-PGRDOPGGSA-N 2 1 387.568 3.772 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000180524829 838602732 /nfs/dbraw/zinc/60/27/32/838602732.db2.gz MWFGKFDOUIXHSL-ROUUACIJSA-N 2 1 388.515 3.805 20 0 GHADMP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000416196772 838695136 /nfs/dbraw/zinc/69/51/36/838695136.db2.gz KGUQEGDSYRYCJQ-AJSBUHFISA-N 2 1 379.548 3.706 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000376764935 838713108 /nfs/dbraw/zinc/71/31/08/838713108.db2.gz OIMAAJRXCZAJTJ-FVJLSDCUSA-N 2 1 381.524 3.510 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000416240412 838785171 /nfs/dbraw/zinc/78/51/71/838785171.db2.gz JMCUZXZWKNOZPC-ILBGXUMGSA-N 2 1 391.559 3.804 20 0 GHADMP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000580223415 839076963 /nfs/dbraw/zinc/07/69/63/839076963.db2.gz KUPPGXOSPXDUMG-DHIUTWEWSA-N 2 1 386.580 3.710 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000124756808 839195764 /nfs/dbraw/zinc/19/57/64/839195764.db2.gz IKEDOICGFRRWLE-KNQAVFIVSA-N 2 1 389.559 3.506 20 0 GHADMP [NH3+]C1(CNCc2cnc(-c3cccs3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126240 839233638 /nfs/dbraw/zinc/23/36/38/839233638.db2.gz FZXUSGIUYSUOGR-UHFFFAOYSA-N 2 1 398.601 3.955 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378541394 839303212 /nfs/dbraw/zinc/30/32/12/839303212.db2.gz FQKSEWFUHLUETA-IBGZPJMESA-N 2 1 383.502 3.905 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000471579816 839592450 /nfs/dbraw/zinc/59/24/50/839592450.db2.gz CHZVWPFWCJNQSB-PMACEKPBSA-N 2 1 399.579 3.799 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000580478051 839638548 /nfs/dbraw/zinc/63/85/48/839638548.db2.gz MMPWQXDOQFFIST-IBGZPJMESA-N 2 1 376.541 3.813 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000656252648 839819409 /nfs/dbraw/zinc/81/94/09/839819409.db2.gz XUNVUVSRPDZKBM-UHFFFAOYSA-N 2 1 391.357 3.717 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000047960214 839853246 /nfs/dbraw/zinc/85/32/46/839853246.db2.gz CXVFDDVVWDQEKV-QHCPKHFHSA-N 2 1 394.563 3.601 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047960214 839853252 /nfs/dbraw/zinc/85/32/52/839853252.db2.gz CXVFDDVVWDQEKV-QHCPKHFHSA-N 2 1 394.563 3.601 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047960214 839853258 /nfs/dbraw/zinc/85/32/58/839853258.db2.gz CXVFDDVVWDQEKV-QHCPKHFHSA-N 2 1 394.563 3.601 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000047960213 839853325 /nfs/dbraw/zinc/85/33/25/839853325.db2.gz CXVFDDVVWDQEKV-HSZRJFAPSA-N 2 1 394.563 3.601 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047960213 839853335 /nfs/dbraw/zinc/85/33/35/839853335.db2.gz CXVFDDVVWDQEKV-HSZRJFAPSA-N 2 1 394.563 3.601 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047960213 839853340 /nfs/dbraw/zinc/85/33/40/839853340.db2.gz CXVFDDVVWDQEKV-HSZRJFAPSA-N 2 1 394.563 3.601 20 0 GHADMP C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000759859384 840231256 /nfs/dbraw/zinc/23/12/56/840231256.db2.gz ROEXTKJCKTUJHU-UWJYYQICSA-N 2 1 376.903 3.966 20 0 GHADMP C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000759859384 840231269 /nfs/dbraw/zinc/23/12/69/840231269.db2.gz ROEXTKJCKTUJHU-UWJYYQICSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000759859384 840231280 /nfs/dbraw/zinc/23/12/80/840231280.db2.gz ROEXTKJCKTUJHU-UWJYYQICSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000759859384 840231289 /nfs/dbraw/zinc/23/12/89/840231289.db2.gz ROEXTKJCKTUJHU-UWJYYQICSA-N 2 1 376.903 3.966 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000510354016 840234262 /nfs/dbraw/zinc/23/42/62/840234262.db2.gz JDDBFKFTHNHFTO-HXUWFJFHSA-N 2 1 398.595 3.831 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185757330 840272006 /nfs/dbraw/zinc/27/20/06/840272006.db2.gz YZQGYAYIPKZINF-MBOZVWFJSA-N 2 1 389.609 3.827 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185757330 840272013 /nfs/dbraw/zinc/27/20/13/840272013.db2.gz YZQGYAYIPKZINF-MBOZVWFJSA-N 2 1 389.609 3.827 20 0 GHADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000580871012 840360020 /nfs/dbraw/zinc/36/00/20/840360020.db2.gz FBVXMZVDKVNUSH-OAQYLSRUSA-N 2 1 396.535 3.825 20 0 GHADMP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000500410057 840404450 /nfs/dbraw/zinc/40/44/50/840404450.db2.gz OHJBYONTADUAEU-OFNKIYASSA-N 2 1 399.579 3.603 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000310024904 840505359 /nfs/dbraw/zinc/50/53/59/840505359.db2.gz UCCLHRBFPXYYRU-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2cccc(C)c2Br)[C@H](C)C1 ZINC000468789752 840538378 /nfs/dbraw/zinc/53/83/78/840538378.db2.gz CRKLPMQQAKYNGK-AEFFLSMTSA-N 2 1 383.374 3.984 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000417229651 840608907 /nfs/dbraw/zinc/60/89/07/840608907.db2.gz XXXQKBHJTSFLTA-OAQYLSRUSA-N 2 1 386.584 3.783 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000581125956 840753950 /nfs/dbraw/zinc/75/39/50/840753950.db2.gz PMWICZZUGBDMHB-MRXNPFEDSA-N 2 1 384.549 3.521 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)C[C@H]1OCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000511623731 840818340 /nfs/dbraw/zinc/81/83/40/840818340.db2.gz AQWDXZFUILFGIZ-RUZDIDTESA-N 2 1 393.575 3.963 20 0 GHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653591 841059161 /nfs/dbraw/zinc/05/91/61/841059161.db2.gz BXWUUGJJDAWXOF-VWNXMTODSA-N 2 1 380.532 3.511 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653591 841059168 /nfs/dbraw/zinc/05/91/68/841059168.db2.gz BXWUUGJJDAWXOF-VWNXMTODSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653591 841059180 /nfs/dbraw/zinc/05/91/80/841059180.db2.gz BXWUUGJJDAWXOF-VWNXMTODSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653591 841059194 /nfs/dbraw/zinc/05/91/94/841059194.db2.gz BXWUUGJJDAWXOF-VWNXMTODSA-N 2 1 380.532 3.511 20 0 GHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652977 841061207 /nfs/dbraw/zinc/06/12/07/841061207.db2.gz NQYSBWLBFYDFGJ-RDPSFJRHSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652977 841061223 /nfs/dbraw/zinc/06/12/23/841061223.db2.gz NQYSBWLBFYDFGJ-RDPSFJRHSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652977 841061238 /nfs/dbraw/zinc/06/12/38/841061238.db2.gz NQYSBWLBFYDFGJ-RDPSFJRHSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652977 841061244 /nfs/dbraw/zinc/06/12/44/841061244.db2.gz NQYSBWLBFYDFGJ-RDPSFJRHSA-N 2 1 396.531 3.636 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417827648 841208060 /nfs/dbraw/zinc/20/80/60/841208060.db2.gz DNQAUBAHMKOWLE-OFNKIYASSA-N 2 1 394.563 3.600 20 0 GHADMP Cc1ccc(CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000364174490 841296179 /nfs/dbraw/zinc/29/61/79/841296179.db2.gz GIMNZWARYMCADQ-UHFFFAOYSA-N 2 1 385.596 3.582 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000418148859 841571798 /nfs/dbraw/zinc/57/17/98/841571798.db2.gz AKYVZUOGMMFIAO-XMSQKQJNSA-N 2 1 394.563 3.806 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001167823944 842013039 /nfs/dbraw/zinc/01/30/39/842013039.db2.gz FXZFKRVGJSXGPW-NTKDMRAZSA-N 2 1 383.580 3.897 20 0 GHADMP O[C@]1(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000652153541 842013486 /nfs/dbraw/zinc/01/34/86/842013486.db2.gz LUSUPEKOUYNZHB-ZEQRLZLVSA-N 2 1 379.548 3.930 20 0 GHADMP O[C@]1(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652153541 842013504 /nfs/dbraw/zinc/01/35/04/842013504.db2.gz LUSUPEKOUYNZHB-ZEQRLZLVSA-N 2 1 379.548 3.930 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 ZINC001167824272 842018330 /nfs/dbraw/zinc/01/83/30/842018330.db2.gz GLAJNZNXGCQWNG-NKKJXINNSA-N 2 1 385.596 3.761 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001167825483 842043067 /nfs/dbraw/zinc/04/30/67/842043067.db2.gz KLQLNJNHCGXMAE-BKULYWANSA-N 2 1 385.596 3.835 20 0 GHADMP Clc1oc2ccccc2c1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509722 842059193 /nfs/dbraw/zinc/05/91/93/842059193.db2.gz CIAGTCWRBVMFEZ-OAHLLOKOSA-N 2 1 399.926 3.599 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001167826913 842063023 /nfs/dbraw/zinc/06/30/23/842063023.db2.gz ZKKWNOXHJXZUIK-NZQKXSOJSA-N 2 1 386.584 3.549 20 0 GHADMP Clc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000663512848 842066117 /nfs/dbraw/zinc/06/61/17/842066117.db2.gz OKGDVEUZLZPKEH-OAHLLOKOSA-N 2 1 394.350 3.506 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000067063012 842272691 /nfs/dbraw/zinc/27/26/91/842272691.db2.gz AEXYZOXNVFNJIK-HXUWFJFHSA-N 2 1 388.600 3.934 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000510475357 842442871 /nfs/dbraw/zinc/44/28/71/842442871.db2.gz CIIYOWVXQWWLIW-ZJOUEHCJSA-N 2 1 380.621 3.695 20 0 GHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423195 842451787 /nfs/dbraw/zinc/45/17/87/842451787.db2.gz WXJAOHADNHDIKB-OALUTQOASA-N 2 1 390.572 3.712 20 0 GHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423195 842451795 /nfs/dbraw/zinc/45/17/95/842451795.db2.gz WXJAOHADNHDIKB-OALUTQOASA-N 2 1 390.572 3.712 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432425795 842452772 /nfs/dbraw/zinc/45/27/72/842452772.db2.gz NSYHRUWUURVJHD-KVZIAJEVSA-N 2 1 381.358 3.522 20 0 GHADMP CCC(CC)(CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000085404755 842719972 /nfs/dbraw/zinc/71/99/72/842719972.db2.gz FRYWRJVBCLMCAA-IRFCIJBXSA-N 2 1 388.600 3.878 20 0 GHADMP C[C@H](c1nc2ccccc2s1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662263566 843032246 /nfs/dbraw/zinc/03/22/46/843032246.db2.gz NIVNGBFJIUPHNU-QGZVFWFLSA-N 2 1 392.572 3.821 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccs1 ZINC000662297877 843089697 /nfs/dbraw/zinc/08/96/97/843089697.db2.gz SPSNZAVIPMSNIF-FXAWDEMLSA-N 2 1 377.598 3.663 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662298290 843090893 /nfs/dbraw/zinc/09/08/93/843090893.db2.gz VFJRYHVIGFXRIS-AEFFLSMTSA-N 2 1 377.960 3.995 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296010 843092766 /nfs/dbraw/zinc/09/27/66/843092766.db2.gz XGBSTLZTNWWCSH-MAUKXSAKSA-N 2 1 397.519 3.674 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296010 843092771 /nfs/dbraw/zinc/09/27/71/843092771.db2.gz XGBSTLZTNWWCSH-MAUKXSAKSA-N 2 1 397.519 3.674 20 0 GHADMP C[C@H](CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3)[NH+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310105 843123698 /nfs/dbraw/zinc/12/36/98/843123698.db2.gz HBRCSDBOFQPZSD-SJSRKZJXSA-N 2 1 388.596 3.550 20 0 GHADMP C[C@H](CC[NH+]1C[C@]23COC[C@@]2(C1)CCCC3)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310105 843123705 /nfs/dbraw/zinc/12/37/05/843123705.db2.gz HBRCSDBOFQPZSD-SJSRKZJXSA-N 2 1 388.596 3.550 20 0 GHADMP C[C@H](CC[NH+]1C[C@]23COC[C@@]2(C1)CCCC3)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310105 843123713 /nfs/dbraw/zinc/12/37/13/843123713.db2.gz HBRCSDBOFQPZSD-SJSRKZJXSA-N 2 1 388.596 3.550 20 0 GHADMP Brc1cc2c(cc1Br)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000662315066 843127758 /nfs/dbraw/zinc/12/77/58/843127758.db2.gz CHEPBJIWUYCAIM-LLVKDONJSA-N 2 1 388.147 3.569 20 0 GHADMP Brc1cc2c(cc1Br)C[N@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000662315066 843127752 /nfs/dbraw/zinc/12/77/52/843127752.db2.gz CHEPBJIWUYCAIM-LLVKDONJSA-N 2 1 388.147 3.569 20 0 GHADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662382228 843179756 /nfs/dbraw/zinc/17/97/56/843179756.db2.gz HBBSHRWZRSROQI-QGZVFWFLSA-N 2 1 389.952 3.614 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(C4CC[NH2+]CC4)no3)cc2)C1 ZINC000662389692 843180426 /nfs/dbraw/zinc/18/04/26/843180426.db2.gz ZHUNNPFOYDKUFK-INIZCTEOSA-N 2 1 382.508 3.626 20 0 GHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccc(F)cc1 ZINC000512284951 843318129 /nfs/dbraw/zinc/31/81/29/843318129.db2.gz DVHGVYJEIAAHIZ-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1ccc(F)cc1 ZINC000512284951 843318140 /nfs/dbraw/zinc/31/81/40/843318140.db2.gz DVHGVYJEIAAHIZ-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1ccc(F)cc1 ZINC000512284951 843318148 /nfs/dbraw/zinc/31/81/48/843318148.db2.gz DVHGVYJEIAAHIZ-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1cccc(Cl)c1Cl ZINC000662485889 843323871 /nfs/dbraw/zinc/32/38/71/843323871.db2.gz UPUNDIVCUNLTNH-QWQRMKEZSA-N 2 1 384.351 3.728 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1cccc(Cl)c1Cl ZINC000662485889 843323873 /nfs/dbraw/zinc/32/38/73/843323873.db2.gz UPUNDIVCUNLTNH-QWQRMKEZSA-N 2 1 384.351 3.728 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCc2ccccc21 ZINC000432672128 843402357 /nfs/dbraw/zinc/40/23/57/843402357.db2.gz SGAIZYXMFKYCBE-OAQYLSRUSA-N 2 1 395.572 3.672 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432673365 843421193 /nfs/dbraw/zinc/42/11/93/843421193.db2.gz XBIZOSCXVBZSLT-OAQYLSRUSA-N 2 1 397.588 3.659 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432673365 843421197 /nfs/dbraw/zinc/42/11/97/843421197.db2.gz XBIZOSCXVBZSLT-OAQYLSRUSA-N 2 1 397.588 3.659 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662587431 843423480 /nfs/dbraw/zinc/42/34/80/843423480.db2.gz CYYQBEGSYKMPRE-RTWAWAEBSA-N 2 1 398.595 3.731 20 0 GHADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020967 843445826 /nfs/dbraw/zinc/44/58/26/843445826.db2.gz GGTRXAHNFYEILO-KBPBESRZSA-N 2 1 386.565 3.658 20 0 GHADMP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000418681158 843528990 /nfs/dbraw/zinc/52/89/90/843528990.db2.gz YNZFMOVWLUBXQF-SFHVURJKSA-N 2 1 392.547 3.601 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610682298 843531180 /nfs/dbraw/zinc/53/11/80/843531180.db2.gz XZUHKIUNALGLIY-FQEVSTJZSA-N 2 1 384.495 3.956 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610682298 843531191 /nfs/dbraw/zinc/53/11/91/843531191.db2.gz XZUHKIUNALGLIY-FQEVSTJZSA-N 2 1 384.495 3.956 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)OC)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610682298 843531194 /nfs/dbraw/zinc/53/11/94/843531194.db2.gz XZUHKIUNALGLIY-FQEVSTJZSA-N 2 1 384.495 3.956 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)OC)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610682298 843531202 /nfs/dbraw/zinc/53/12/02/843531202.db2.gz XZUHKIUNALGLIY-FQEVSTJZSA-N 2 1 384.495 3.956 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418730576 843578604 /nfs/dbraw/zinc/57/86/04/843578604.db2.gz SNGRXNVQJONXFE-FSSWDIPSSA-N 2 1 386.584 3.590 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512397304 843652430 /nfs/dbraw/zinc/65/24/30/843652430.db2.gz CJBMLAONDIZSBY-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001167821085 843697040 /nfs/dbraw/zinc/69/70/40/843697040.db2.gz AKRKZJCEOIUKKV-MLDBQTBOSA-N 2 1 389.584 3.731 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303127428 843699821 /nfs/dbraw/zinc/69/98/21/843699821.db2.gz BHXGDXNLWLEGED-HXUWFJFHSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H](CCc1ccccc1)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512411307 843722483 /nfs/dbraw/zinc/72/24/83/843722483.db2.gz XJOSNPWCIQGVTA-WIOPSUGQSA-N 2 1 377.576 3.900 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000509762350 843971986 /nfs/dbraw/zinc/97/19/86/843971986.db2.gz MQENJPNVVOZGEZ-FCEUIQTBSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000509762350 843971989 /nfs/dbraw/zinc/97/19/89/843971989.db2.gz MQENJPNVVOZGEZ-FCEUIQTBSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000509762350 843971992 /nfs/dbraw/zinc/97/19/92/843971992.db2.gz MQENJPNVVOZGEZ-FCEUIQTBSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000022549202 843990711 /nfs/dbraw/zinc/99/07/11/843990711.db2.gz NJORIFSKGJWQSX-NFBKMPQASA-N 2 1 377.532 3.729 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000022549202 843990718 /nfs/dbraw/zinc/99/07/18/843990718.db2.gz NJORIFSKGJWQSX-NFBKMPQASA-N 2 1 377.532 3.729 20 0 GHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549928242 844812867 /nfs/dbraw/zinc/81/28/67/844812867.db2.gz LAJSZKYDIFCSRJ-RTBURBONSA-N 2 1 389.584 3.604 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000512650061 844886302 /nfs/dbraw/zinc/88/63/02/844886302.db2.gz WUTFAZFWXFAVCJ-BJESRGMDSA-N 2 1 384.564 3.605 20 0 GHADMP c1c(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCCC2 ZINC000512662617 844916479 /nfs/dbraw/zinc/91/64/79/844916479.db2.gz ZBJQOTPZLGOWEW-ACIOBRDBSA-N 2 1 378.564 3.652 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000152529389 844924632 /nfs/dbraw/zinc/92/46/32/844924632.db2.gz CZJMYOAXNCQFCQ-NRFANRHFSA-N 2 1 381.539 3.949 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000512659709 844938811 /nfs/dbraw/zinc/93/88/11/844938811.db2.gz JJULIEKXULGYGE-RJGXRXQPSA-N 2 1 376.548 3.787 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000512662911 844981940 /nfs/dbraw/zinc/98/19/40/844981940.db2.gz CMZZEUCFTKKCLU-IAGOWNOFSA-N 2 1 385.474 3.576 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000512690013 845044913 /nfs/dbraw/zinc/04/49/13/845044913.db2.gz KRCJGCUIULZCSC-QZTJIDSGSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)CC1 ZINC000513203661 845045648 /nfs/dbraw/zinc/04/56/48/845045648.db2.gz IACYIICPDFMQPK-RZXSNQJFSA-N 2 1 380.523 3.856 20 0 GHADMP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389881 861558927 /nfs/dbraw/zinc/55/89/27/861558927.db2.gz WVGIXFSLVMIQTD-FQEVSTJZSA-N 2 1 394.563 3.667 20 0 GHADMP CCC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCOCC1 ZINC000549880424 845438352 /nfs/dbraw/zinc/43/83/52/845438352.db2.gz YGEIELJDMPSIGH-QFIPXVFZSA-N 2 1 386.580 3.712 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513499485 845553116 /nfs/dbraw/zinc/55/31/16/845553116.db2.gz GRRZIHFNLDRKSJ-PZJWPPBQSA-N 2 1 389.547 3.872 20 0 GHADMP Brc1ccc(C[N@H+](CCOCC2CCC2)CCn2ccnc2)o1 ZINC000419266082 845600536 /nfs/dbraw/zinc/60/05/36/845600536.db2.gz FQQRHGUTXVJSBN-UHFFFAOYSA-N 2 1 382.302 3.558 20 0 GHADMP Brc1ccc(C[N@@H+](CCOCC2CCC2)CCn2ccnc2)o1 ZINC000419266082 845600540 /nfs/dbraw/zinc/60/05/40/845600540.db2.gz FQQRHGUTXVJSBN-UHFFFAOYSA-N 2 1 382.302 3.558 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000664211766 845710509 /nfs/dbraw/zinc/71/05/09/845710509.db2.gz DYXZRZIJQJPNMT-SJLPKXTDSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000664211766 845710519 /nfs/dbraw/zinc/71/05/19/845710519.db2.gz DYXZRZIJQJPNMT-SJLPKXTDSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000664211766 845710524 /nfs/dbraw/zinc/71/05/24/845710524.db2.gz DYXZRZIJQJPNMT-SJLPKXTDSA-N 2 1 380.602 3.551 20 0 GHADMP CN(CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1)CC[C@@H]1CCCC[N@H+]1C ZINC001167509785 845865488 /nfs/dbraw/zinc/86/54/88/845865488.db2.gz PXOFYKFCKPYCGG-NRFANRHFSA-N 2 1 393.019 3.658 20 0 GHADMP C[N@H+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC[C@@H]1CCCC[NH+]1C ZINC001167509785 845865495 /nfs/dbraw/zinc/86/54/95/845865495.db2.gz PXOFYKFCKPYCGG-NRFANRHFSA-N 2 1 393.019 3.658 20 0 GHADMP C[N@@H+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC[C@@H]1CCCC[NH+]1C ZINC001167509785 845865501 /nfs/dbraw/zinc/86/55/01/845865501.db2.gz PXOFYKFCKPYCGG-NRFANRHFSA-N 2 1 393.019 3.658 20 0 GHADMP C[NH+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC001167509785 845865507 /nfs/dbraw/zinc/86/55/07/845865507.db2.gz PXOFYKFCKPYCGG-NRFANRHFSA-N 2 1 393.019 3.658 20 0 GHADMP C[NH+](CCCN1CCN(c2ccc(Cl)cc2)CC1)CC[C@@H]1CCCC[N@H+]1C ZINC001167509785 845865514 /nfs/dbraw/zinc/86/55/14/845865514.db2.gz PXOFYKFCKPYCGG-NRFANRHFSA-N 2 1 393.019 3.658 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4cc(OC)ccc4c3)CC2)CC1 ZINC000421376481 846187265 /nfs/dbraw/zinc/18/72/65/846187265.db2.gz QNGPJZSKLRIYQT-UHFFFAOYSA-N 2 1 381.564 3.840 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000157855151 846226066 /nfs/dbraw/zinc/22/60/66/846226066.db2.gz FCXGVMFEUMZJQX-ROUUACIJSA-N 2 1 391.556 3.665 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1OC ZINC000280283722 846351023 /nfs/dbraw/zinc/35/10/23/846351023.db2.gz MXZUSZCZGLSPQA-MSOLQXFVSA-N 2 1 378.557 3.675 20 0 GHADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1c1ccccc1I ZINC000502866750 846572545 /nfs/dbraw/zinc/57/25/45/846572545.db2.gz GGPTXBWIYPMNJO-WMLDXEAASA-N 2 1 384.305 3.912 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C2CC2)c(F)c1 ZINC000421840996 846631190 /nfs/dbraw/zinc/63/11/90/846631190.db2.gz JJWTXDHGCUZKLS-XXBNENTESA-N 2 1 384.495 3.642 20 0 GHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501100037 846640278 /nfs/dbraw/zinc/64/02/78/846640278.db2.gz HGSKJIKJNIEKCZ-LADGPHEKSA-N 2 1 386.628 3.560 20 0 GHADMP CCN(CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501100037 846640284 /nfs/dbraw/zinc/64/02/84/846640284.db2.gz HGSKJIKJNIEKCZ-LADGPHEKSA-N 2 1 386.628 3.560 20 0 GHADMP CCN(CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501100037 846640294 /nfs/dbraw/zinc/64/02/94/846640294.db2.gz HGSKJIKJNIEKCZ-LADGPHEKSA-N 2 1 386.628 3.560 20 0 GHADMP CC[C@H](c1ccncc1)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000179695757 861713107 /nfs/dbraw/zinc/71/31/07/861713107.db2.gz OVKLLIGPJLNELA-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000179695757 861713113 /nfs/dbraw/zinc/71/31/13/861713113.db2.gz OVKLLIGPJLNELA-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1OCCc2sccc21 ZINC000429130078 861713793 /nfs/dbraw/zinc/71/37/93/861713793.db2.gz BYDBCOZBNQTVGK-KPLVRAHFSA-N 2 1 386.561 3.631 20 0 GHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1OCCc2sccc21 ZINC000429130078 861713804 /nfs/dbraw/zinc/71/38/04/861713804.db2.gz BYDBCOZBNQTVGK-KPLVRAHFSA-N 2 1 386.561 3.631 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000503053331 846769411 /nfs/dbraw/zinc/76/94/11/846769411.db2.gz ORUISDUFMVHOQH-QFIPXVFZSA-N 2 1 376.504 3.571 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000503053331 846769418 /nfs/dbraw/zinc/76/94/18/846769418.db2.gz ORUISDUFMVHOQH-QFIPXVFZSA-N 2 1 376.504 3.571 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000503162054 846859053 /nfs/dbraw/zinc/85/90/53/846859053.db2.gz NPAQPFYSMUAABB-IBGZPJMESA-N 2 1 394.629 3.720 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000501432157 846925668 /nfs/dbraw/zinc/92/56/68/846925668.db2.gz CVGWMQMWSSCIOT-BETUJISGSA-N 2 1 391.300 3.706 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000501521957 846982508 /nfs/dbraw/zinc/98/25/08/846982508.db2.gz YXTDHNPKAMOAMP-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272336861 847053399 /nfs/dbraw/zinc/05/33/99/847053399.db2.gz BABPUNHAFAZSEI-PMVMPFDFSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272378396 847063648 /nfs/dbraw/zinc/06/36/48/847063648.db2.gz HJBUDEWOCZQBFM-FPOVZHCZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272415022 847072298 /nfs/dbraw/zinc/07/22/98/847072298.db2.gz GAQLFZXAEZIYKM-GDBMZVCRSA-N 2 1 391.437 3.543 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272415022 847072300 /nfs/dbraw/zinc/07/23/00/847072300.db2.gz GAQLFZXAEZIYKM-GDBMZVCRSA-N 2 1 391.437 3.543 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000475004362 861752732 /nfs/dbraw/zinc/75/27/32/861752732.db2.gz RWPSIOLHWCCLSA-IRLDBZIGSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000475004362 861752738 /nfs/dbraw/zinc/75/27/38/861752738.db2.gz RWPSIOLHWCCLSA-IRLDBZIGSA-N 2 1 387.543 3.515 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000420304962 847106499 /nfs/dbraw/zinc/10/64/99/847106499.db2.gz PATGDEQLSJQMSH-MRXNPFEDSA-N 2 1 375.310 3.558 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000420304962 847106502 /nfs/dbraw/zinc/10/65/02/847106502.db2.gz PATGDEQLSJQMSH-MRXNPFEDSA-N 2 1 375.310 3.558 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272711362 847152363 /nfs/dbraw/zinc/15/23/63/847152363.db2.gz CQYVBTOSAWMCMV-OYDLWJJNSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H](Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272753658 847163177 /nfs/dbraw/zinc/16/31/77/847163177.db2.gz KDCUMNMFJTWBKA-IRLDBZIGSA-N 2 1 393.575 3.966 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(N(C)C(C)C)c3)CC2)CC1 ZINC000563377418 847456373 /nfs/dbraw/zinc/45/63/73/847456373.db2.gz OIAKOKOGCDUBMU-UHFFFAOYSA-N 2 1 386.584 3.666 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502152801 847524986 /nfs/dbraw/zinc/52/49/86/847524986.db2.gz JBLIBCDMYQLKSL-QPPBQGQZSA-N 2 1 398.595 3.559 20 0 GHADMP c1ccc2c(c1)CO[C@]21CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420921670 847542467 /nfs/dbraw/zinc/54/24/67/847542467.db2.gz LYVOVQMFLJYKII-DEOSSOPVSA-N 2 1 378.516 3.540 20 0 GHADMP c1ccc2c(c1)CO[C@]21CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420921670 847542471 /nfs/dbraw/zinc/54/24/71/847542471.db2.gz LYVOVQMFLJYKII-DEOSSOPVSA-N 2 1 378.516 3.540 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(-n2ccnc2)c1 ZINC000420930597 847550945 /nfs/dbraw/zinc/55/09/45/847550945.db2.gz FRPQEFXVNFDICK-LJQANCHMSA-N 2 1 376.504 3.555 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000647907674 847600537 /nfs/dbraw/zinc/60/05/37/847600537.db2.gz BBNPILGMRFDHIM-SRYPRDQNSA-N 2 1 393.531 3.824 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000647907674 847600545 /nfs/dbraw/zinc/60/05/45/847600545.db2.gz BBNPILGMRFDHIM-SRYPRDQNSA-N 2 1 393.531 3.824 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000503468618 847723610 /nfs/dbraw/zinc/72/36/10/847723610.db2.gz IOTRFVGPBYWQEE-HKBOAZHASA-N 2 1 378.605 3.547 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000604111762 861825490 /nfs/dbraw/zinc/82/54/90/861825490.db2.gz QOMSYQGWCCOMFL-LEWJYISDSA-N 2 1 398.551 3.626 20 0 GHADMP COc1cc2c(c(C[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)c1)O[C@@H](C)C2 ZINC000502344949 847779879 /nfs/dbraw/zinc/77/98/79/847779879.db2.gz JJZRRZZNSCEBMM-DLBZAZTESA-N 2 1 381.520 3.931 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422726308 847799736 /nfs/dbraw/zinc/79/97/36/847799736.db2.gz DLLBXCOKMVCISD-ZGXWSNOMSA-N 2 1 381.486 3.790 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422726308 847799745 /nfs/dbraw/zinc/79/97/45/847799745.db2.gz DLLBXCOKMVCISD-ZGXWSNOMSA-N 2 1 381.486 3.790 20 0 GHADMP C[C@H](NC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758351 847801977 /nfs/dbraw/zinc/80/19/77/847801977.db2.gz IWASEHATMLTYBF-MLDBQTBOSA-N 2 1 385.596 3.787 20 0 GHADMP Fc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)c1 ZINC000422765064 847824850 /nfs/dbraw/zinc/82/48/50/847824850.db2.gz QCGWLRIVOJRHON-MJGOQNOKSA-N 2 1 391.284 3.934 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422901280 847878991 /nfs/dbraw/zinc/87/89/91/847878991.db2.gz RVCDBCXPFWSJHC-NOZRDPDXSA-N 2 1 391.559 3.805 20 0 GHADMP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CCCc4cccnc43)CC2)cc1 ZINC000684953096 847881626 /nfs/dbraw/zinc/88/16/26/847881626.db2.gz HJCMYJGXVHURPJ-QHCPKHFHSA-N 2 1 378.564 3.647 20 0 GHADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422956996 847915690 /nfs/dbraw/zinc/91/56/90/847915690.db2.gz RVXRAYYJDJDDCE-SJLPKXTDSA-N 2 1 388.309 3.821 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000503734994 847927595 /nfs/dbraw/zinc/92/75/95/847927595.db2.gz KJQHIKNYJNFEKD-KNQAVFIVSA-N 2 1 394.563 3.814 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000503734994 847927602 /nfs/dbraw/zinc/92/76/02/847927602.db2.gz KJQHIKNYJNFEKD-KNQAVFIVSA-N 2 1 394.563 3.814 20 0 GHADMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nc12 ZINC000423039780 847951363 /nfs/dbraw/zinc/95/13/63/847951363.db2.gz RPMKLASDEGBVHM-RCCFBDPRSA-N 2 1 391.357 3.806 20 0 GHADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423057542 847956135 /nfs/dbraw/zinc/95/61/35/847956135.db2.gz ZMLANFFVRANNIC-YGRLFVJLSA-N 2 1 376.136 3.689 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000611687765 847960063 /nfs/dbraw/zinc/96/00/63/847960063.db2.gz ZRHQWFBVRJMBKX-YLJYHZDGSA-N 2 1 392.975 3.651 20 0 GHADMP CCCN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000582678366 847991410 /nfs/dbraw/zinc/99/14/10/847991410.db2.gz BEFHQFYLNUNQNS-HSZRJFAPSA-N 2 1 394.563 3.660 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3Cl)cc2)C1 ZINC000657597317 848282438 /nfs/dbraw/zinc/28/24/38/848282438.db2.gz TZOONFVJVNJCKJ-MRXNPFEDSA-N 2 1 383.294 3.989 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1Br ZINC000657594948 848289277 /nfs/dbraw/zinc/28/92/77/848289277.db2.gz LNMDMIIRZAPDSJ-LJQANCHMSA-N 2 1 389.337 3.614 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000582782925 848363930 /nfs/dbraw/zinc/36/39/30/848363930.db2.gz GDTRGQUZJMMJKJ-LDBRAYGESA-N 2 1 379.495 3.512 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000582782925 848363940 /nfs/dbraw/zinc/36/39/40/848363940.db2.gz GDTRGQUZJMMJKJ-LDBRAYGESA-N 2 1 379.495 3.512 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000766036043 861915553 /nfs/dbraw/zinc/91/55/53/861915553.db2.gz DWOJBQJTKJKMEZ-YUXAGFNASA-N 2 1 376.585 3.744 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743889 861919577 /nfs/dbraw/zinc/91/95/77/861919577.db2.gz NPXAHTIKHKDFFO-FQEVSTJZSA-N 2 1 378.004 3.937 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657690602 848634779 /nfs/dbraw/zinc/63/47/79/848634779.db2.gz PLCDCBCEYOIBMP-VABKMULXSA-N 2 1 378.564 3.918 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657690602 848634783 /nfs/dbraw/zinc/63/47/83/848634783.db2.gz PLCDCBCEYOIBMP-VABKMULXSA-N 2 1 378.564 3.918 20 0 GHADMP CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000525635419 848980371 /nfs/dbraw/zinc/98/03/71/848980371.db2.gz YLNPZSINDRBJIY-XMMPIXPASA-N 2 1 393.575 3.852 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)c1OC ZINC000583087641 849036549 /nfs/dbraw/zinc/03/65/49/849036549.db2.gz ZBCXJQDRMLOOJJ-HZPDHXFCSA-N 2 1 387.549 3.649 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000154326013 849242180 /nfs/dbraw/zinc/24/21/80/849242180.db2.gz DMEDDBIUIAMXHB-HMFYCAOWSA-N 2 1 382.552 3.624 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OCc1ccccc1 ZINC000657750728 849611089 /nfs/dbraw/zinc/61/10/89/849611089.db2.gz DKYJYPJRCWJQDZ-QFIPXVFZSA-N 2 1 396.531 3.617 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000583333201 849645148 /nfs/dbraw/zinc/64/51/48/849645148.db2.gz IUYBNMUWVSXZQG-QOXFPCGXSA-N 2 1 395.591 3.953 20 0 GHADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423097494 849741924 /nfs/dbraw/zinc/74/19/24/849741924.db2.gz BBGILIGKCHKDBT-OFNKIYASSA-N 2 1 381.495 3.771 20 0 GHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423109865 849757544 /nfs/dbraw/zinc/75/75/44/849757544.db2.gz TVMPIHVETKVDCH-BBRMVZONSA-N 2 1 392.487 3.509 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)cc1 ZINC000423332471 849869155 /nfs/dbraw/zinc/86/91/55/849869155.db2.gz NKSAPDOCEXJIIW-XGRCMKMKSA-N 2 1 398.547 3.687 20 0 GHADMP C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000423471513 849938463 /nfs/dbraw/zinc/93/84/63/849938463.db2.gz MIGPLTGDLSWPJD-UTSGNWPNSA-N 2 1 399.554 3.810 20 0 GHADMP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505725 849947464 /nfs/dbraw/zinc/94/74/64/849947464.db2.gz HUPVBRXGFZPSGD-PBPGXSGUSA-N 2 1 384.593 3.986 20 0 GHADMP FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423490501 849952504 /nfs/dbraw/zinc/95/25/04/849952504.db2.gz YZKFZBYFVNXIER-MXEMCNAFSA-N 3 1 377.523 3.512 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423490501 849952512 /nfs/dbraw/zinc/95/25/12/849952512.db2.gz YZKFZBYFVNXIER-MXEMCNAFSA-N 3 1 377.523 3.512 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423490501 849952515 /nfs/dbraw/zinc/95/25/15/849952515.db2.gz YZKFZBYFVNXIER-MXEMCNAFSA-N 3 1 377.523 3.512 20 0 GHADMP Brc1cccc2c1CCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423524975 849967457 /nfs/dbraw/zinc/96/74/57/849967457.db2.gz XOKPWQGTYILIKB-PMTKGXAQSA-N 2 1 392.385 3.633 20 0 GHADMP CCCc1csc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000426422824 850094777 /nfs/dbraw/zinc/09/47/77/850094777.db2.gz YCFUKZUQIYLVTH-UHFFFAOYSA-N 2 1 378.630 3.724 20 0 GHADMP CCCc1csc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000426422824 850094790 /nfs/dbraw/zinc/09/47/90/850094790.db2.gz YCFUKZUQIYLVTH-UHFFFAOYSA-N 2 1 378.630 3.724 20 0 GHADMP CCC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000486831246 850133674 /nfs/dbraw/zinc/13/36/74/850133674.db2.gz HDZSOQTUWLXQBC-JOCHJYFZSA-N 2 1 379.548 3.875 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000894288428 850293983 /nfs/dbraw/zinc/29/39/83/850293983.db2.gz USZBJNBOHWSIGC-AEFFLSMTSA-N 2 1 379.570 3.588 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000894288428 850293993 /nfs/dbraw/zinc/29/39/93/850293993.db2.gz USZBJNBOHWSIGC-AEFFLSMTSA-N 2 1 379.570 3.588 20 0 GHADMP CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(I)c2)CC1 ZINC000424303245 850372594 /nfs/dbraw/zinc/37/25/94/850372594.db2.gz ZGECDIIAQQQONK-UHFFFAOYSA-N 2 1 378.685 3.519 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000424443904 850453208 /nfs/dbraw/zinc/45/32/08/850453208.db2.gz LUCYKKRJOUFJGT-UHFFFAOYSA-N 2 1 386.927 3.847 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000424443904 850453211 /nfs/dbraw/zinc/45/32/11/850453211.db2.gz LUCYKKRJOUFJGT-UHFFFAOYSA-N 2 1 386.927 3.847 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000424464895 850475853 /nfs/dbraw/zinc/47/58/53/850475853.db2.gz QURMJNUWUXRTGB-QZTJIDSGSA-N 2 1 399.366 3.527 20 0 GHADMP Cc1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)ccc1-n1cncn1 ZINC000435424863 850504650 /nfs/dbraw/zinc/50/46/50/850504650.db2.gz BNFVINDMMOZIHO-NRFANRHFSA-N 2 1 393.560 3.782 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)c2)C[C@H](C)O1 ZINC000439958200 850627581 /nfs/dbraw/zinc/62/75/81/850627581.db2.gz QSXCQNKUMHEAOK-SVMVAKDDSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)c2)C[C@H](C)O1 ZINC000439958200 850627585 /nfs/dbraw/zinc/62/75/85/850627585.db2.gz QSXCQNKUMHEAOK-SVMVAKDDSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)c2)C[C@H](C)O1 ZINC000439958200 850627591 /nfs/dbraw/zinc/62/75/91/850627591.db2.gz QSXCQNKUMHEAOK-SVMVAKDDSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)c2)C[C@H](C)O1 ZINC000439958200 850627595 /nfs/dbraw/zinc/62/75/95/850627595.db2.gz QSXCQNKUMHEAOK-SVMVAKDDSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000519206185 850759808 /nfs/dbraw/zinc/75/98/08/850759808.db2.gz OWRSJJCBNFNXDM-REWPJTCUSA-N 2 1 398.595 3.688 20 0 GHADMP CN(C)C(=O)c1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435694520 850775361 /nfs/dbraw/zinc/77/53/61/850775361.db2.gz LQRICIMRJZPQOJ-HXUWFJFHSA-N 2 1 383.561 3.594 20 0 GHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414837101 850901663 /nfs/dbraw/zinc/90/16/63/850901663.db2.gz VNTOHSSBLUOEAY-HNNXBMFYSA-N 2 1 390.325 3.512 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000299263459 850928148 /nfs/dbraw/zinc/92/81/48/850928148.db2.gz KKKJDKOAQLLKKR-YJBOKZPZSA-N 2 1 399.938 3.534 20 0 GHADMP Brc1cccc2c1CC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000513864318 850943078 /nfs/dbraw/zinc/94/30/78/850943078.db2.gz SANFWCOUJIRCDY-GOSISDBHSA-N 2 1 379.342 3.671 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000519399391 851005630 /nfs/dbraw/zinc/00/56/30/851005630.db2.gz LMOLSUHYPQKKSL-PWHSHALESA-N 2 1 395.547 3.506 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cnn(C)c3C(F)(F)F)C2)s1 ZINC000515487633 851097459 /nfs/dbraw/zinc/09/74/59/851097459.db2.gz KVAPLCUFEFETOM-AWEZNQCLSA-N 2 1 386.487 3.763 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000514011091 851117336 /nfs/dbraw/zinc/11/73/36/851117336.db2.gz JXWKWMZUMZKPFX-OFNKIYASSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000514011091 851117348 /nfs/dbraw/zinc/11/73/48/851117348.db2.gz JXWKWMZUMZKPFX-OFNKIYASSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514011091 851117354 /nfs/dbraw/zinc/11/73/54/851117354.db2.gz JXWKWMZUMZKPFX-OFNKIYASSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000514033245 851148814 /nfs/dbraw/zinc/14/88/14/851148814.db2.gz RHBATIYWLFVOEX-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000514104465 851242768 /nfs/dbraw/zinc/24/27/68/851242768.db2.gz KAMGGMMPQYKLCT-IBGZPJMESA-N 2 1 375.520 3.891 20 0 GHADMP CC[N@@H+](CCc1cccs1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488280497 851341190 /nfs/dbraw/zinc/34/11/90/851341190.db2.gz LVSGMGSKFNIGEG-IBGZPJMESA-N 2 1 399.604 3.782 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000469490848 851348348 /nfs/dbraw/zinc/34/83/48/851348348.db2.gz YQCLOLXXTRGMCJ-MCIONIFRSA-N 2 1 382.346 3.711 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000514201175 851369138 /nfs/dbraw/zinc/36/91/38/851369138.db2.gz CAORHAAJJUYIND-YHYVQYDKSA-N 2 1 398.526 3.563 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514214399 851396386 /nfs/dbraw/zinc/39/63/86/851396386.db2.gz MYMMQPGMNDRKNP-CTNGQTDRSA-N 2 1 386.584 3.633 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)cc2)CC1 ZINC000436294579 851429140 /nfs/dbraw/zinc/42/91/40/851429140.db2.gz XPLHCVWORAAKFK-ISKFKSNPSA-N 2 1 391.559 3.575 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N1CCc2ccccc21 ZINC000515757056 851437737 /nfs/dbraw/zinc/43/77/37/851437737.db2.gz OAUQCSNVDLHINQ-VQTJNVASSA-N 2 1 391.559 3.986 20 0 GHADMP COC(=O)c1cccc(OCC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000110911868 851478198 /nfs/dbraw/zinc/47/81/98/851478198.db2.gz HWXOADZGLZHRFC-UHFFFAOYSA-N 2 1 396.531 3.696 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000515843444 851553539 /nfs/dbraw/zinc/55/35/39/851553539.db2.gz HPILEQLFTPRUFM-FQEVSTJZSA-N 2 1 380.621 3.652 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000515843444 851553544 /nfs/dbraw/zinc/55/35/44/851553544.db2.gz HPILEQLFTPRUFM-FQEVSTJZSA-N 2 1 380.621 3.652 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000515843444 851553552 /nfs/dbraw/zinc/55/35/52/851553552.db2.gz HPILEQLFTPRUFM-FQEVSTJZSA-N 2 1 380.621 3.652 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000570268603 851826536 /nfs/dbraw/zinc/82/65/36/851826536.db2.gz PSRFJVYVQJBTBX-UHFFFAOYSA-N 2 1 379.508 3.544 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)cc1 ZINC000180727708 862300176 /nfs/dbraw/zinc/30/01/76/862300176.db2.gz BXZZQRTXYHQGKX-INIZCTEOSA-N 2 1 380.467 3.791 20 0 GHADMP C[C@@H](C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1)C[NH+](C)C ZINC000425942819 851964443 /nfs/dbraw/zinc/96/44/43/851964443.db2.gz OITCMSWKQNJVSU-ROUUACIJSA-N 2 1 395.613 3.536 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180738847 862307591 /nfs/dbraw/zinc/30/75/91/862307591.db2.gz VILJPCNTOSRKBK-KRWDZBQOSA-N 2 1 393.959 3.682 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516151504 852215078 /nfs/dbraw/zinc/21/50/78/852215078.db2.gz LRPWCWLKXLOBFS-VXKWHMMOSA-N 2 1 395.547 3.835 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167962652 852246171 /nfs/dbraw/zinc/24/61/71/852246171.db2.gz ZWHHZJVSVOFNOZ-UMQXSMKFSA-N 2 1 377.573 3.629 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506899744 852301022 /nfs/dbraw/zinc/30/10/22/852301022.db2.gz TYJCDDZSSIXIEF-SFHVURJKSA-N 2 1 383.561 3.867 20 0 GHADMP C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506899744 852301029 /nfs/dbraw/zinc/30/10/29/852301029.db2.gz TYJCDDZSSIXIEF-SFHVURJKSA-N 2 1 383.561 3.867 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1C1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506895368 852319643 /nfs/dbraw/zinc/31/96/43/852319643.db2.gz ZTSGHHDEBQBTMC-OAQYLSRUSA-N 2 1 387.593 3.829 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000150771178 852351850 /nfs/dbraw/zinc/35/18/50/852351850.db2.gz VTCJGEJJXADLPE-MRXNPFEDSA-N 2 1 384.524 3.915 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000489604111 852481894 /nfs/dbraw/zinc/48/18/94/852481894.db2.gz MOYJACKFJRTTQJ-NRSPTQNISA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[NH+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000489844596 852604606 /nfs/dbraw/zinc/60/46/06/852604606.db2.gz YGUIKISJBYOGNM-LGKPFJOYSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000489844596 852604610 /nfs/dbraw/zinc/60/46/10/852604610.db2.gz YGUIKISJBYOGNM-LGKPFJOYSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC000489844596 852604613 /nfs/dbraw/zinc/60/46/13/852604613.db2.gz YGUIKISJBYOGNM-LGKPFJOYSA-N 2 1 398.595 3.554 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000489871872 852639382 /nfs/dbraw/zinc/63/93/82/852639382.db2.gz NRLHZQGCQZTNCX-GOTSBHOMSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000489871872 852639391 /nfs/dbraw/zinc/63/93/91/852639391.db2.gz NRLHZQGCQZTNCX-GOTSBHOMSA-N 2 1 395.547 3.641 20 0 GHADMP CC(C)Oc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+](C)C)cc1 ZINC000489951534 852668037 /nfs/dbraw/zinc/66/80/37/852668037.db2.gz XTVHKSVIYFLUFW-FQEVSTJZSA-N 2 1 386.540 3.603 20 0 GHADMP c1c(C[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCCC2 ZINC000516590573 852771012 /nfs/dbraw/zinc/77/10/12/852771012.db2.gz PSULJTNOMNARSM-PMVMPFDFSA-N 2 1 378.564 4.000 20 0 GHADMP c1c(C[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCCC2 ZINC000516590573 852771019 /nfs/dbraw/zinc/77/10/19/852771019.db2.gz PSULJTNOMNARSM-PMVMPFDFSA-N 2 1 378.564 4.000 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490278226 852913031 /nfs/dbraw/zinc/91/30/31/852913031.db2.gz WJILBGKXMABMKV-QFBILLFUSA-N 2 1 391.357 3.536 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490278226 852913042 /nfs/dbraw/zinc/91/30/42/852913042.db2.gz WJILBGKXMABMKV-QFBILLFUSA-N 2 1 391.357 3.536 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000426173697 852925470 /nfs/dbraw/zinc/92/54/70/852925470.db2.gz IRNQYCQVHABJDB-KNQAVFIVSA-N 2 1 382.548 3.876 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638366724 852954376 /nfs/dbraw/zinc/95/43/76/852954376.db2.gz LACQNMAZHFIVLL-MRXNPFEDSA-N 2 1 375.463 3.765 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000516765506 852975144 /nfs/dbraw/zinc/97/51/44/852975144.db2.gz IUMDQMRJGRKIBX-CVDCTZTESA-N 2 1 379.548 3.838 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000516765506 852975155 /nfs/dbraw/zinc/97/51/55/852975155.db2.gz IUMDQMRJGRKIBX-CVDCTZTESA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437347653 853044607 /nfs/dbraw/zinc/04/46/07/853044607.db2.gz PNQIOGSGGYZLMM-AZUAARDMSA-N 2 1 387.568 3.720 20 0 GHADMP COc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1SC ZINC000518248223 853107437 /nfs/dbraw/zinc/10/74/37/853107437.db2.gz NDHCLTVWXMSIHU-QGZVFWFLSA-N 2 1 391.606 3.557 20 0 GHADMP C[C@@H]1CC([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047189 862431448 /nfs/dbraw/zinc/43/14/48/862431448.db2.gz QGOCTLHCOFAUDI-LTLOCAGFSA-N 2 1 395.591 3.665 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047186 862430960 /nfs/dbraw/zinc/43/09/60/862430960.db2.gz QGOCTLHCOFAUDI-CBJKEKPBSA-N 2 1 395.591 3.665 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047186 862430965 /nfs/dbraw/zinc/43/09/65/862430965.db2.gz QGOCTLHCOFAUDI-CBJKEKPBSA-N 2 1 395.591 3.665 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047186 862430970 /nfs/dbraw/zinc/43/09/70/862430970.db2.gz QGOCTLHCOFAUDI-CBJKEKPBSA-N 2 1 395.591 3.665 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000490883266 853329772 /nfs/dbraw/zinc/32/97/72/853329772.db2.gz JWDVNRZQRSZNFO-IAGOWNOFSA-N 2 1 385.474 3.904 20 0 GHADMP C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426286838 853336699 /nfs/dbraw/zinc/33/66/99/853336699.db2.gz SMSSKTTXQOEZBD-NQIIRXRSSA-N 2 1 375.516 3.539 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](c4ccccc4)C[C@H]3C)CC2)CC1 ZINC000519700693 853385716 /nfs/dbraw/zinc/38/57/16/853385716.db2.gz GHXNNEHZXOCMAD-DENIHFKCSA-N 2 1 383.580 3.587 20 0 GHADMP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491030425 853407974 /nfs/dbraw/zinc/40/79/74/853407974.db2.gz VRZLNZGMPNABGG-UHFFFAOYSA-N 2 1 397.538 3.628 20 0 GHADMP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491054770 853429018 /nfs/dbraw/zinc/42/90/18/853429018.db2.gz DDCOYTBSVYPXFE-PZJWPPBQSA-N 2 1 394.987 3.806 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000439215192 853431147 /nfs/dbraw/zinc/43/11/47/853431147.db2.gz PNLVNPDCZAARKT-JOCHJYFZSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(c2nccc(N3Cc4ccccc4C3)n2)CC1 ZINC000623877331 862477090 /nfs/dbraw/zinc/47/70/90/862477090.db2.gz YSYHHPCFCXKXAW-UHFFFAOYSA-N 2 1 379.552 3.945 20 0 GHADMP CCCC[N@H+](C)CC1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623877331 862477098 /nfs/dbraw/zinc/47/70/98/862477098.db2.gz YSYHHPCFCXKXAW-UHFFFAOYSA-N 2 1 379.552 3.945 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623877331 862477103 /nfs/dbraw/zinc/47/71/03/862477103.db2.gz YSYHHPCFCXKXAW-UHFFFAOYSA-N 2 1 379.552 3.945 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CCCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001167988628 853631994 /nfs/dbraw/zinc/63/19/94/853631994.db2.gz SJWYJFSNYAWBFH-UDLXLPFGSA-N 2 1 379.592 3.988 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167988628 853631996 /nfs/dbraw/zinc/63/19/96/853631996.db2.gz SJWYJFSNYAWBFH-UDLXLPFGSA-N 2 1 379.592 3.988 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167988628 853632000 /nfs/dbraw/zinc/63/20/00/853632000.db2.gz SJWYJFSNYAWBFH-UDLXLPFGSA-N 2 1 379.592 3.988 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000519935482 853646638 /nfs/dbraw/zinc/64/66/38/853646638.db2.gz VVHCCAFUAXKAGV-URVUXULASA-N 2 1 386.584 3.552 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000507735287 853913274 /nfs/dbraw/zinc/91/32/74/853913274.db2.gz YTPKGOCMYCLYPM-ICSRJNTNSA-N 2 1 395.538 3.771 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@@H]2CCC[C@H]21 ZINC000571748789 854038625 /nfs/dbraw/zinc/03/86/25/854038625.db2.gz HCTCBABLKJPHOR-RJGXRXQPSA-N 2 1 394.563 3.768 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[NH+](C)C(C)(C)C2)c1 ZINC000623945592 862538138 /nfs/dbraw/zinc/53/81/38/862538138.db2.gz UODZOJAGJAJVBN-AEFFLSMTSA-N 2 1 390.547 3.923 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000441345759 854137617 /nfs/dbraw/zinc/13/76/17/854137617.db2.gz HOUZGQSFMDKZGV-CVEARBPZSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000441345759 854137622 /nfs/dbraw/zinc/13/76/22/854137622.db2.gz HOUZGQSFMDKZGV-CVEARBPZSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000441345759 854137627 /nfs/dbraw/zinc/13/76/27/854137627.db2.gz HOUZGQSFMDKZGV-CVEARBPZSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000441345759 854137634 /nfs/dbraw/zinc/13/76/34/854137634.db2.gz HOUZGQSFMDKZGV-CVEARBPZSA-N 2 1 375.340 3.539 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571811836 854164737 /nfs/dbraw/zinc/16/47/37/854164737.db2.gz ZSUVDQCAVKOOJK-MLDBQTBOSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571811836 854164740 /nfs/dbraw/zinc/16/47/40/854164740.db2.gz ZSUVDQCAVKOOJK-MLDBQTBOSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571811836 854164746 /nfs/dbraw/zinc/16/47/46/854164746.db2.gz ZSUVDQCAVKOOJK-MLDBQTBOSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000571811836 854164751 /nfs/dbraw/zinc/16/47/51/854164751.db2.gz ZSUVDQCAVKOOJK-MLDBQTBOSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623945592 862538148 /nfs/dbraw/zinc/53/81/48/862538148.db2.gz UODZOJAGJAJVBN-AEFFLSMTSA-N 2 1 390.547 3.923 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623945592 862538160 /nfs/dbraw/zinc/53/81/60/862538160.db2.gz UODZOJAGJAJVBN-AEFFLSMTSA-N 2 1 390.547 3.923 20 0 GHADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)C(C)C ZINC000588284184 854270192 /nfs/dbraw/zinc/27/01/92/854270192.db2.gz FKZFYLODIOVXIF-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C(C)C ZINC000588284184 854270197 /nfs/dbraw/zinc/27/01/97/854270197.db2.gz FKZFYLODIOVXIF-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C(C)C ZINC000588284184 854270202 /nfs/dbraw/zinc/27/02/02/854270202.db2.gz FKZFYLODIOVXIF-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711297 854370133 /nfs/dbraw/zinc/37/01/33/854370133.db2.gz YAEFEOMDSOIUBZ-HDICACEKSA-N 2 1 383.536 3.971 20 0 GHADMP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711297 854370135 /nfs/dbraw/zinc/37/01/35/854370135.db2.gz YAEFEOMDSOIUBZ-HDICACEKSA-N 2 1 383.536 3.971 20 0 GHADMP CN1C(=O)C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)[C@H]1c1ccccc1 ZINC001167993761 854391526 /nfs/dbraw/zinc/39/15/26/854391526.db2.gz RNJYOELQIKNORL-HNTVYWHESA-N 2 1 393.575 3.687 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167994740 854429161 /nfs/dbraw/zinc/42/91/61/854429161.db2.gz MUBDXBWXTJDYDD-UNSFGCNMSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167994740 854429167 /nfs/dbraw/zinc/42/91/67/854429167.db2.gz MUBDXBWXTJDYDD-UNSFGCNMSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167994740 854429172 /nfs/dbraw/zinc/42/91/72/854429172.db2.gz MUBDXBWXTJDYDD-UNSFGCNMSA-N 2 1 389.584 3.627 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CCC([N@@H+](C)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168388088 854768982 /nfs/dbraw/zinc/76/89/82/854768982.db2.gz AXHGMGMQGHIWOZ-UHFFFAOYSA-N 2 1 379.589 3.971 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000482009978 862605555 /nfs/dbraw/zinc/60/55/55/862605555.db2.gz QNVYKIKSIYZIBF-SIKLNZKXSA-N 2 1 385.552 3.919 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)cc1 ZINC000765791450 854820092 /nfs/dbraw/zinc/82/00/92/854820092.db2.gz JFBLTUKADLMXHR-POZUXBRTSA-N 2 1 387.549 3.641 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)s2)cc1 ZINC000765791450 854820099 /nfs/dbraw/zinc/82/00/99/854820099.db2.gz JFBLTUKADLMXHR-POZUXBRTSA-N 2 1 387.549 3.641 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389782 854834929 /nfs/dbraw/zinc/83/49/29/854834929.db2.gz WFBMKKJGFJNTJT-FQEVSTJZSA-N 2 1 377.573 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389782 854834933 /nfs/dbraw/zinc/83/49/33/854834933.db2.gz WFBMKKJGFJNTJT-FQEVSTJZSA-N 2 1 377.573 3.725 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(F)cc2s1 ZINC000624650397 854991013 /nfs/dbraw/zinc/99/10/13/854991013.db2.gz ZHURGNMMVLGBTL-QGZVFWFLSA-N 2 1 377.529 3.529 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C[C@H]1C ZINC000458979523 855025502 /nfs/dbraw/zinc/02/55/02/855025502.db2.gz QXSXTVWHWGBBPO-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[C@H]1C ZINC000458979523 855025510 /nfs/dbraw/zinc/02/55/10/855025510.db2.gz QXSXTVWHWGBBPO-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@H]1C ZINC000458979523 855025516 /nfs/dbraw/zinc/02/55/16/855025516.db2.gz QXSXTVWHWGBBPO-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C[C@@H]1C ZINC000458979524 855025553 /nfs/dbraw/zinc/02/55/53/855025553.db2.gz QXSXTVWHWGBBPO-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[C@@H]1C ZINC000458979524 855025558 /nfs/dbraw/zinc/02/55/58/855025558.db2.gz QXSXTVWHWGBBPO-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@@H]1C ZINC000458979524 855025568 /nfs/dbraw/zinc/02/55/68/855025568.db2.gz QXSXTVWHWGBBPO-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(C)c1 ZINC000921671514 855077204 /nfs/dbraw/zinc/07/72/04/855077204.db2.gz XDGREZRGVWNQCC-UHFFFAOYSA-N 2 1 398.547 3.783 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000589950617 855203307 /nfs/dbraw/zinc/20/33/07/855203307.db2.gz FCACGNUWMLHQND-IRLDBZIGSA-N 2 1 387.543 3.515 20 0 GHADMP CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999514 855219862 /nfs/dbraw/zinc/21/98/62/855219862.db2.gz NPCRWZUOEAAJCK-UHFFFAOYSA-N 2 1 389.927 3.871 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999514 855219866 /nfs/dbraw/zinc/21/98/66/855219866.db2.gz NPCRWZUOEAAJCK-UHFFFAOYSA-N 2 1 389.927 3.871 20 0 GHADMP CC[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999697 855221225 /nfs/dbraw/zinc/22/12/25/855221225.db2.gz TZXZYTDQFIZXOB-QHCPKHFHSA-N 2 1 379.548 3.764 20 0 GHADMP CC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999697 855221231 /nfs/dbraw/zinc/22/12/31/855221231.db2.gz TZXZYTDQFIZXOB-QHCPKHFHSA-N 2 1 379.548 3.764 20 0 GHADMP CC[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000459083828 855426483 /nfs/dbraw/zinc/42/64/83/855426483.db2.gz BFICPCOKGUVYIO-JOCHJYFZSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001514 855451198 /nfs/dbraw/zinc/45/11/98/855451198.db2.gz CLRDIRMYCPHOLF-JVXMTQNBSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001514 855451206 /nfs/dbraw/zinc/45/12/06/855451206.db2.gz CLRDIRMYCPHOLF-JVXMTQNBSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001514 855451209 /nfs/dbraw/zinc/45/12/09/855451209.db2.gz CLRDIRMYCPHOLF-JVXMTQNBSA-N 2 1 377.573 3.629 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000590611533 855508788 /nfs/dbraw/zinc/50/87/88/855508788.db2.gz NWYMZFZXEAQHTR-UHFFFAOYSA-N 2 1 377.532 3.890 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)oc1C ZINC000282304060 855528480 /nfs/dbraw/zinc/52/84/80/855528480.db2.gz MOYJJRXLXCXFPM-SFHVURJKSA-N 2 1 378.520 3.742 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000056524712 855563013 /nfs/dbraw/zinc/56/30/13/855563013.db2.gz CAZRBCCUUJGLMS-QFIPXVFZSA-N 2 1 385.577 3.617 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000573051127 855704943 /nfs/dbraw/zinc/70/49/43/855704943.db2.gz CRXLYMKCHZVRQY-GJZGRUSLSA-N 2 1 386.458 3.732 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000482109198 862711500 /nfs/dbraw/zinc/71/15/00/862711500.db2.gz RYHOAPZXNUUZTH-NQIIRXRSSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000591096383 855759939 /nfs/dbraw/zinc/75/99/39/855759939.db2.gz IHVJHWJNLAFHTD-WOJBJXKFSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591096383 855759949 /nfs/dbraw/zinc/75/99/49/855759949.db2.gz IHVJHWJNLAFHTD-WOJBJXKFSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591096383 855759953 /nfs/dbraw/zinc/75/99/53/855759953.db2.gz IHVJHWJNLAFHTD-WOJBJXKFSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000591096382 855760195 /nfs/dbraw/zinc/76/01/95/855760195.db2.gz IHVJHWJNLAFHTD-VQTJNVASSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000591096382 855760198 /nfs/dbraw/zinc/76/01/98/855760198.db2.gz IHVJHWJNLAFHTD-VQTJNVASSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000591096382 855760203 /nfs/dbraw/zinc/76/02/03/855760203.db2.gz IHVJHWJNLAFHTD-VQTJNVASSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1OC ZINC000482147694 862743561 /nfs/dbraw/zinc/74/35/61/862743561.db2.gz RJRVOLWVYKEQJS-DOTOQJQBSA-N 2 1 381.948 3.777 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168560845 856014297 /nfs/dbraw/zinc/01/42/97/856014297.db2.gz SUVCPMZRJVXKER-CVEARBPZSA-N 2 1 393.494 3.733 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168560845 856014301 /nfs/dbraw/zinc/01/43/01/856014301.db2.gz SUVCPMZRJVXKER-CVEARBPZSA-N 2 1 393.494 3.733 20 0 GHADMP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000567889757 862747643 /nfs/dbraw/zinc/74/76/43/862747643.db2.gz RJCJLWONOPBWEP-FUPPJEDESA-N 2 1 377.532 3.915 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168562761 856061928 /nfs/dbraw/zinc/06/19/28/856061928.db2.gz SDAKSIGMBJHNOL-JKSUJKDBSA-N 2 1 393.494 3.590 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000591717091 856210348 /nfs/dbraw/zinc/21/03/48/856210348.db2.gz GTBAGUQEGOODJW-UHFFFAOYSA-N 2 1 385.527 3.522 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000573491010 856256064 /nfs/dbraw/zinc/25/60/64/856256064.db2.gz UAVQLAZPCGNBHV-HNNXBMFYSA-N 2 1 380.414 3.577 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000573627275 856360961 /nfs/dbraw/zinc/36/09/61/856360961.db2.gz PSNWTGNPFKRPCZ-QHCPKHFHSA-N 2 1 382.548 3.606 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000417786192 856430787 /nfs/dbraw/zinc/43/07/87/856430787.db2.gz QJILJIXKPZJWBF-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000073676933 856477006 /nfs/dbraw/zinc/47/70/06/856477006.db2.gz NCOUNDOMDAQNBV-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000073676933 856477012 /nfs/dbraw/zinc/47/70/12/856477012.db2.gz NCOUNDOMDAQNBV-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000073676933 856477020 /nfs/dbraw/zinc/47/70/20/856477020.db2.gz NCOUNDOMDAQNBV-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000573818458 856503088 /nfs/dbraw/zinc/50/30/88/856503088.db2.gz ZMYDPKRXCCRWLN-DNQXCXABSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000573818458 856503094 /nfs/dbraw/zinc/50/30/94/856503094.db2.gz ZMYDPKRXCCRWLN-DNQXCXABSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000573818458 856503097 /nfs/dbraw/zinc/50/30/97/856503097.db2.gz ZMYDPKRXCCRWLN-DNQXCXABSA-N 2 1 382.523 3.717 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H](c3nccn3C)C3CC3)cc2)C[C@H]1C ZINC000485440493 856538160 /nfs/dbraw/zinc/53/81/60/856538160.db2.gz ANLQNNICXJTUHG-SELNLUPBSA-N 2 1 396.579 3.670 20 0 GHADMP Cc1ccc(-c2cc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)on2)cc1 ZINC000110429960 856545400 /nfs/dbraw/zinc/54/54/00/856545400.db2.gz ADBSYDDHOMYWKJ-KDURUIRLSA-N 2 1 383.536 3.971 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Br)s3)CC2)C[C@H](C)O1 ZINC000110436822 856550424 /nfs/dbraw/zinc/55/04/24/856550424.db2.gz SYOMKYHIFSTOQI-OKILXGFUSA-N 2 1 387.387 3.832 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Br)s3)CC2)C[C@H](C)O1 ZINC000110436822 856550434 /nfs/dbraw/zinc/55/04/34/856550434.db2.gz SYOMKYHIFSTOQI-OKILXGFUSA-N 2 1 387.387 3.832 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000181246956 862810638 /nfs/dbraw/zinc/81/06/38/862810638.db2.gz VRSNPUNEBFIIRX-HSZRJFAPSA-N 2 1 394.563 3.840 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)CCc3ccccc3)CC2)cs1 ZINC000573913780 856611323 /nfs/dbraw/zinc/61/13/23/856611323.db2.gz MIFCVGFBKOIIHR-OAQYLSRUSA-N 2 1 387.593 3.501 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427708966 856619489 /nfs/dbraw/zinc/61/94/89/856619489.db2.gz DZNMOKIWPOEMFR-HSALFYBXSA-N 2 1 397.485 3.835 20 0 GHADMP COC(=O)c1cc(F)ccc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000507921003 856694624 /nfs/dbraw/zinc/69/46/24/856694624.db2.gz WPEWJHYHIBXVSZ-UHFFFAOYSA-N 2 1 384.495 3.956 20 0 GHADMP COC(=O)c1cc(F)ccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000507921003 856694629 /nfs/dbraw/zinc/69/46/29/856694629.db2.gz WPEWJHYHIBXVSZ-UHFFFAOYSA-N 2 1 384.495 3.956 20 0 GHADMP O[C@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC000624319264 856804190 /nfs/dbraw/zinc/80/41/90/856804190.db2.gz HHDUHTVPFJZMPZ-ZKGSSEMHSA-N 2 1 394.559 3.739 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000658144710 856808087 /nfs/dbraw/zinc/80/80/87/856808087.db2.gz NPKOTPVZVFUKRX-RTWAWAEBSA-N 2 1 384.520 3.511 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2)CC1 ZINC000485612516 856831893 /nfs/dbraw/zinc/83/18/93/856831893.db2.gz HSOKHMINWIXKEE-RJGXRXQPSA-N 2 1 398.595 3.585 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000485641498 856851481 /nfs/dbraw/zinc/85/14/81/856851481.db2.gz GHCPMPNIBXHOCH-GOSISDBHSA-N 2 1 393.522 3.510 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427908236 856864548 /nfs/dbraw/zinc/86/45/48/856864548.db2.gz WXOAQMRMAUSHDH-GPXNEJASSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427908236 856864592 /nfs/dbraw/zinc/86/45/92/856864592.db2.gz WXOAQMRMAUSHDH-GPXNEJASSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000427908236 856864596 /nfs/dbraw/zinc/86/45/96/856864596.db2.gz WXOAQMRMAUSHDH-GPXNEJASSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000427908237 856864893 /nfs/dbraw/zinc/86/48/93/856864893.db2.gz WXOAQMRMAUSHDH-ZDXQCDESSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427908237 856864965 /nfs/dbraw/zinc/86/49/65/856864965.db2.gz WXOAQMRMAUSHDH-ZDXQCDESSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427908237 856864974 /nfs/dbraw/zinc/86/49/74/856864974.db2.gz WXOAQMRMAUSHDH-ZDXQCDESSA-N 2 1 395.591 3.764 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428064681 857075307 /nfs/dbraw/zinc/07/53/07/857075307.db2.gz ABFGFCXZVNYWGX-OAQYLSRUSA-N 2 1 379.548 3.780 20 0 GHADMP c1cn2c(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c(-c3ccccc3)nc2s1 ZINC000733333775 862875095 /nfs/dbraw/zinc/87/50/95/862875095.db2.gz VWXFKSWFFKWASD-IBGZPJMESA-N 2 1 396.560 3.796 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000520798604 857164844 /nfs/dbraw/zinc/16/48/44/857164844.db2.gz YGXOOJZNGXTRNJ-XMSQKQJNSA-N 2 1 386.511 3.518 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000429246315 857177070 /nfs/dbraw/zinc/17/70/70/857177070.db2.gz NTBLFTNCZNPODV-LJQANCHMSA-N 2 1 396.579 3.914 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000429246315 857177075 /nfs/dbraw/zinc/17/70/75/857177075.db2.gz NTBLFTNCZNPODV-LJQANCHMSA-N 2 1 396.579 3.914 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000429248251 857218972 /nfs/dbraw/zinc/21/89/72/857218972.db2.gz YQQZWKGDEOEYDG-QGZVFWFLSA-N 2 1 386.565 3.685 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000429248251 857218976 /nfs/dbraw/zinc/21/89/76/857218976.db2.gz YQQZWKGDEOEYDG-QGZVFWFLSA-N 2 1 386.565 3.685 20 0 GHADMP CC(C)O[C@@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000428238883 857396793 /nfs/dbraw/zinc/39/67/93/857396793.db2.gz FSOXWVICXLGUJB-VWLOTQADSA-N 2 1 395.591 3.902 20 0 GHADMP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000428241510 857450258 /nfs/dbraw/zinc/45/02/58/857450258.db2.gz RCXCJIWODXZRGQ-UHFFFAOYSA-N 2 1 380.458 3.724 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000672603030 857523119 /nfs/dbraw/zinc/52/31/19/857523119.db2.gz NPTOSOWLVPFRTH-CTNGQTDRSA-N 2 1 375.520 3.830 20 0 GHADMP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000672620824 857531869 /nfs/dbraw/zinc/53/18/69/857531869.db2.gz SZGDBUJMCXMRGW-IBGZPJMESA-N 2 1 390.930 3.852 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675666662 857553882 /nfs/dbraw/zinc/55/38/82/857553882.db2.gz QZOXJFDNIFISDX-NFBKMPQASA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675666662 857553890 /nfs/dbraw/zinc/55/38/90/857553890.db2.gz QZOXJFDNIFISDX-NFBKMPQASA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675666662 857553898 /nfs/dbraw/zinc/55/38/98/857553898.db2.gz QZOXJFDNIFISDX-NFBKMPQASA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675666662 857553905 /nfs/dbraw/zinc/55/39/05/857553905.db2.gz QZOXJFDNIFISDX-NFBKMPQASA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000521069083 857559328 /nfs/dbraw/zinc/55/93/28/857559328.db2.gz ZXQDPVBGZZSEMW-ROUUACIJSA-N 2 1 394.991 3.534 20 0 GHADMP OC[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@H](CO)CC3)c2)CC1 ZINC000451077509 857616899 /nfs/dbraw/zinc/61/68/99/857616899.db2.gz KNZGEGFAOLFNEG-RTBURBONSA-N 2 1 394.987 3.529 20 0 GHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880516 857658499 /nfs/dbraw/zinc/65/84/99/857658499.db2.gz FOWKBVREKBMNAD-IEBWSBKVSA-N 2 1 379.342 3.669 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486390773 857701771 /nfs/dbraw/zinc/70/17/71/857701771.db2.gz WFFQHYJGXFRUHI-NZQKXSOJSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486390773 857701778 /nfs/dbraw/zinc/70/17/78/857701778.db2.gz WFFQHYJGXFRUHI-NZQKXSOJSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486390773 857701781 /nfs/dbraw/zinc/70/17/81/857701781.db2.gz WFFQHYJGXFRUHI-NZQKXSOJSA-N 2 1 381.564 3.627 20 0 GHADMP Fc1cc2[nH]c(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)cc2c(Br)c1 ZINC000922063762 857702111 /nfs/dbraw/zinc/70/21/11/857702111.db2.gz ORTVRBDHKSZDAB-NSHDSACASA-N 2 1 377.261 3.618 20 0 GHADMP C[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000065541915 857815437 /nfs/dbraw/zinc/81/54/37/857815437.db2.gz DNTPURDVSSCWJU-UHFFFAOYSA-N 2 1 394.563 3.604 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000574445149 857886265 /nfs/dbraw/zinc/88/62/65/857886265.db2.gz RPXHBSRWSDHYBN-JQVVWYNYSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000574445149 857886274 /nfs/dbraw/zinc/88/62/74/857886274.db2.gz RPXHBSRWSDHYBN-JQVVWYNYSA-N 2 1 388.577 3.777 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594186272 857991075 /nfs/dbraw/zinc/99/10/75/857991075.db2.gz JFGKYSGVWSWRSJ-LEWJYISDSA-N 2 1 399.579 3.640 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)c2)cc1 ZINC000067507210 858035819 /nfs/dbraw/zinc/03/58/19/858035819.db2.gz SYZGGCKWMTUJOD-LJQANCHMSA-N 2 1 381.520 3.767 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)c2)cc1 ZINC000067507210 858035826 /nfs/dbraw/zinc/03/58/26/858035826.db2.gz SYZGGCKWMTUJOD-LJQANCHMSA-N 2 1 381.520 3.767 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442786037 858124786 /nfs/dbraw/zinc/12/47/86/858124786.db2.gz UUJPJVLDIYGLBV-UGKGYDQZSA-N 2 1 377.532 3.934 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442786037 858124789 /nfs/dbraw/zinc/12/47/89/858124789.db2.gz UUJPJVLDIYGLBV-UGKGYDQZSA-N 2 1 377.532 3.934 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)c2)CCO1 ZINC000442787847 858133917 /nfs/dbraw/zinc/13/39/17/858133917.db2.gz DSGHKAJREUEBTI-YLJYHZDGSA-N 2 1 375.516 3.646 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)c2)CCO1 ZINC000442787847 858133923 /nfs/dbraw/zinc/13/39/23/858133923.db2.gz DSGHKAJREUEBTI-YLJYHZDGSA-N 2 1 375.516 3.646 20 0 GHADMP O=C(C[N@H+]1CCCCC[C@H]1/C=C/c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000543059979 858147331 /nfs/dbraw/zinc/14/73/31/858147331.db2.gz OZABOLRCHPFKRU-YXBWYFRISA-N 2 1 387.593 3.749 20 0 GHADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000665299119 858181929 /nfs/dbraw/zinc/18/19/29/858181929.db2.gz GQFJELUNNNIVDY-NFBKMPQASA-N 2 1 391.471 3.696 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000443006253 858305887 /nfs/dbraw/zinc/30/58/87/858305887.db2.gz HYIHKHXGYRHKGW-CTNGQTDRSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000443006253 858305893 /nfs/dbraw/zinc/30/58/93/858305893.db2.gz HYIHKHXGYRHKGW-CTNGQTDRSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1ccccc1[C@@H]([C@H](C)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2)[NH+](C)C ZINC000443014542 858312331 /nfs/dbraw/zinc/31/23/31/858312331.db2.gz PEAAYNLJQSGTIQ-HTAPYJJXSA-N 2 1 386.609 3.999 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000443064447 858332714 /nfs/dbraw/zinc/33/27/14/858332714.db2.gz YGHPRUCLHAKOEX-HTAPYJJXSA-N 2 1 385.939 3.606 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553122 858357851 /nfs/dbraw/zinc/35/78/51/858357851.db2.gz WBKAUESRFFGUHR-LTDCPUDJSA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553122 858357861 /nfs/dbraw/zinc/35/78/61/858357861.db2.gz WBKAUESRFFGUHR-LTDCPUDJSA-N 2 1 396.938 3.572 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCN(C4CCCCC4)C3=O)CC2)C1 ZINC000443096589 858375911 /nfs/dbraw/zinc/37/59/11/858375911.db2.gz RZMPQBORPSDHSW-COPCDDAFSA-N 2 1 375.601 3.943 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000574917375 858393517 /nfs/dbraw/zinc/39/35/17/858393517.db2.gz UOEFJILRBHMOEY-JRSMBCBASA-N 2 1 379.548 3.727 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000191070283 858455451 /nfs/dbraw/zinc/45/54/51/858455451.db2.gz YWYGOKQVJWNIMS-HXUWFJFHSA-N 2 1 378.438 3.870 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCc1ccccc1Br ZINC000543139619 858577563 /nfs/dbraw/zinc/57/75/63/858577563.db2.gz MVFZZLLIHAEVPQ-NEWSRXKRSA-N 2 1 381.358 3.565 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000522116528 858640208 /nfs/dbraw/zinc/64/02/08/858640208.db2.gz GPNHJNTUDAUVLZ-DNQXCXABSA-N 2 1 397.607 3.869 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474058629 858741836 /nfs/dbraw/zinc/74/18/36/858741836.db2.gz YTBNLDCSJMHOGI-LSWJPFSZSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474058629 858741842 /nfs/dbraw/zinc/74/18/42/858741842.db2.gz YTBNLDCSJMHOGI-LSWJPFSZSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474058629 858741845 /nfs/dbraw/zinc/74/18/45/858741845.db2.gz YTBNLDCSJMHOGI-LSWJPFSZSA-N 2 1 398.595 3.870 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000783514054 858764779 /nfs/dbraw/zinc/76/47/79/858764779.db2.gz PLBAVOVSZMARAD-UFYCRDLUSA-N 2 1 397.604 3.503 20 0 GHADMP CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183684787 858796994 /nfs/dbraw/zinc/79/69/94/858796994.db2.gz XWMUSKWLCHOLNZ-MRXNPFEDSA-N 2 1 378.476 3.869 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000474078905 858798497 /nfs/dbraw/zinc/79/84/97/858798497.db2.gz HOTKMASHABZAGV-UPVQGACJSA-N 2 1 380.532 3.644 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000474078905 858798504 /nfs/dbraw/zinc/79/85/04/858798504.db2.gz HOTKMASHABZAGV-UPVQGACJSA-N 2 1 380.532 3.644 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000482750045 858818663 /nfs/dbraw/zinc/81/86/63/858818663.db2.gz ASCQIPNUNPGHPR-RTBURBONSA-N 2 1 385.577 3.870 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000429263256 858854266 /nfs/dbraw/zinc/85/42/66/858854266.db2.gz XORKEXAHPRXBNL-UHFFFAOYSA-N 2 1 396.579 3.639 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000429263256 858854270 /nfs/dbraw/zinc/85/42/70/858854270.db2.gz XORKEXAHPRXBNL-UHFFFAOYSA-N 2 1 396.579 3.639 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000499162797 881352324 /nfs/dbraw/zinc/35/23/24/881352324.db2.gz CSAXCRGFMFWFBS-KOUNCHBCSA-N 2 1 397.950 3.855 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3C[C@H](C)N(Cc4ccccc4)C3)CCCC2)CC1 ZINC000499685869 858896479 /nfs/dbraw/zinc/89/64/79/858896479.db2.gz QZUOXOCRNWGCRT-UNMCSNQZSA-N 2 1 385.596 3.663 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)C1 ZINC001143616532 858995144 /nfs/dbraw/zinc/99/51/44/858995144.db2.gz XNRWNQRIDLXGQX-OAQYLSRUSA-N 2 1 393.575 3.898 20 0 GHADMP CSc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000443596322 859024318 /nfs/dbraw/zinc/02/43/18/859024318.db2.gz AFAJUYJYMQULLM-UHFFFAOYSA-N 2 1 375.582 3.935 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000522317521 859030325 /nfs/dbraw/zinc/03/03/25/859030325.db2.gz QQSWBBOWKVPTJX-FQEVSTJZSA-N 2 1 388.600 3.579 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000120249344 881378209 /nfs/dbraw/zinc/37/82/09/881378209.db2.gz MLVPDRWHRZKPAL-QFIPXVFZSA-N 2 1 397.567 3.696 20 0 GHADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000483060733 859119856 /nfs/dbraw/zinc/11/98/56/859119856.db2.gz XEZBOAKNAVDEDQ-NTKDMRAZSA-N 2 1 377.532 3.592 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000483060733 859119858 /nfs/dbraw/zinc/11/98/58/859119858.db2.gz XEZBOAKNAVDEDQ-NTKDMRAZSA-N 2 1 377.532 3.592 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738533 859123665 /nfs/dbraw/zinc/12/36/65/859123665.db2.gz GSGVEIXPTFLVKC-LSNYBQGISA-N 2 1 375.601 3.799 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738533 859123675 /nfs/dbraw/zinc/12/36/75/859123675.db2.gz GSGVEIXPTFLVKC-LSNYBQGISA-N 2 1 375.601 3.799 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000483155776 859187388 /nfs/dbraw/zinc/18/73/88/859187388.db2.gz HXVMQKLACBJMEI-HKBOAZHASA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000483155776 859187397 /nfs/dbraw/zinc/18/73/97/859187397.db2.gz HXVMQKLACBJMEI-HKBOAZHASA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000483155776 859187408 /nfs/dbraw/zinc/18/74/08/859187408.db2.gz HXVMQKLACBJMEI-HKBOAZHASA-N 2 1 375.601 3.754 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000191495414 859207442 /nfs/dbraw/zinc/20/74/42/859207442.db2.gz UVUGIVFQODSBKV-SFHVURJKSA-N 2 1 388.581 3.755 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000191495414 859207453 /nfs/dbraw/zinc/20/74/53/859207453.db2.gz UVUGIVFQODSBKV-SFHVURJKSA-N 2 1 388.581 3.755 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C/c3ccccc3OC)C2)ccn1 ZINC000856554615 881396561 /nfs/dbraw/zinc/39/65/61/881396561.db2.gz UOXMVJMDEVLXGK-GLJAUCNMSA-N 2 1 381.520 3.708 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C/c3ccccc3OC)C2)ccn1 ZINC000856554615 881396579 /nfs/dbraw/zinc/39/65/79/881396579.db2.gz UOXMVJMDEVLXGK-GLJAUCNMSA-N 2 1 381.520 3.708 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C/c3ccccc3OC)C2)ccn1 ZINC000856554615 881396601 /nfs/dbraw/zinc/39/66/01/881396601.db2.gz UOXMVJMDEVLXGK-GLJAUCNMSA-N 2 1 381.520 3.708 20 0 GHADMP CC(C)c1oc([C@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)nc1-c1ccccc1 ZINC000923324753 859227720 /nfs/dbraw/zinc/22/77/20/859227720.db2.gz KDCBRUVSEBQFAH-RBUKOAKNSA-N 2 1 381.520 3.980 20 0 GHADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000597026829 859243820 /nfs/dbraw/zinc/24/38/20/859243820.db2.gz QGALGIDLHGDNIN-NRFANRHFSA-N 2 1 384.593 3.719 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000466723547 859304681 /nfs/dbraw/zinc/30/46/81/859304681.db2.gz VQBZIOJBYYGQMK-UHFFFAOYSA-N 2 1 393.478 3.943 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000466731027 859369999 /nfs/dbraw/zinc/36/99/99/859369999.db2.gz XPHWTGLFVKXRTQ-UHFFFAOYSA-N 2 1 389.584 3.880 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000765980044 859384149 /nfs/dbraw/zinc/38/41/49/859384149.db2.gz YYRZFHLXSCDESN-IEBWSBKVSA-N 2 1 384.442 3.806 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000568237139 859386528 /nfs/dbraw/zinc/38/65/28/859386528.db2.gz MXASUFCKFUIMCX-RTBURBONSA-N 2 1 375.900 3.713 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000543371770 859442112 /nfs/dbraw/zinc/44/21/12/859442112.db2.gz VSXVMFQNAJEBAO-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000543371770 859442123 /nfs/dbraw/zinc/44/21/23/859442123.db2.gz VSXVMFQNAJEBAO-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000543371770 859442135 /nfs/dbraw/zinc/44/21/35/859442135.db2.gz VSXVMFQNAJEBAO-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000114020304 859451732 /nfs/dbraw/zinc/45/17/32/859451732.db2.gz YXDURSFXQHGNGG-BHIFYINESA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000114020304 859451736 /nfs/dbraw/zinc/45/17/36/859451736.db2.gz YXDURSFXQHGNGG-BHIFYINESA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000114020304 859451737 /nfs/dbraw/zinc/45/17/37/859451737.db2.gz YXDURSFXQHGNGG-BHIFYINESA-N 2 1 392.632 3.795 20 0 GHADMP COc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559217 881437683 /nfs/dbraw/zinc/43/76/83/881437683.db2.gz POBJQTANFATJRE-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559217 881437772 /nfs/dbraw/zinc/43/77/72/881437772.db2.gz POBJQTANFATJRE-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559217 881437848 /nfs/dbraw/zinc/43/78/48/881437848.db2.gz POBJQTANFATJRE-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559217 881437905 /nfs/dbraw/zinc/43/79/05/881437905.db2.gz POBJQTANFATJRE-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP CCC[N@H+](CCOc1ccccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477188 859626649 /nfs/dbraw/zinc/62/66/49/859626649.db2.gz KXDWMJWTDYKFQB-UHFFFAOYSA-N 2 1 398.551 3.862 20 0 GHADMP CCC[N@@H+](CCOc1ccccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477188 859626653 /nfs/dbraw/zinc/62/66/53/859626653.db2.gz KXDWMJWTDYKFQB-UHFFFAOYSA-N 2 1 398.551 3.862 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(N(C)c4ccccc4)cc3)C2)CC1 ZINC000611268905 859674711 /nfs/dbraw/zinc/67/47/11/859674711.db2.gz BSNILPHSQVGMBK-XMMPIXPASA-N 2 1 378.564 3.666 20 0 GHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237302260 859691657 /nfs/dbraw/zinc/69/16/57/859691657.db2.gz HKFAPQWGXUIVGY-OKILXGFUSA-N 2 1 375.340 3.981 20 0 GHADMP C[C@H](c1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000118031733 859693502 /nfs/dbraw/zinc/69/35/02/859693502.db2.gz NOLKUFXEVZVKHQ-GCJKJVERSA-N 2 1 396.535 3.504 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000895605323 859727949 /nfs/dbraw/zinc/72/79/49/859727949.db2.gz QNNRHVYBNCAEQD-NFBKMPQASA-N 2 1 390.531 3.674 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000895605323 859727959 /nfs/dbraw/zinc/72/79/59/859727959.db2.gz QNNRHVYBNCAEQD-NFBKMPQASA-N 2 1 390.531 3.674 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cnn(-c2ccccc2)c1 ZINC000765327803 859908803 /nfs/dbraw/zinc/90/88/03/859908803.db2.gz XXERSOVSIZITFX-VQTJNVASSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cnn(-c2ccccc2)c1 ZINC000765327803 859908809 /nfs/dbraw/zinc/90/88/09/859908809.db2.gz XXERSOVSIZITFX-VQTJNVASSA-N 2 1 390.531 3.944 20 0 GHADMP CC(C)[NH+]1CCCN(Cc2ccccc2CN2CCC[N@H+](C(C)C)CC2)CC1 ZINC000487443524 859982958 /nfs/dbraw/zinc/98/29/58/859982958.db2.gz JRQCJOMOPXTWRX-UHFFFAOYSA-N 2 1 386.628 3.519 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2C(=O)CCC2=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033956 859983615 /nfs/dbraw/zinc/98/36/15/859983615.db2.gz NUABDKCSWQUOLH-YHELAOLJSA-N 2 1 399.579 3.581 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000484499176 860047884 /nfs/dbraw/zinc/04/78/84/860047884.db2.gz LHDRSLBREBZCJX-YFVAEKQCSA-N 2 1 384.955 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000484499176 860047897 /nfs/dbraw/zinc/04/78/97/860047897.db2.gz LHDRSLBREBZCJX-YFVAEKQCSA-N 2 1 384.955 3.814 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000465598222 860144653 /nfs/dbraw/zinc/14/46/53/860144653.db2.gz LZIGZJSJNAEHQF-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602629583 860183127 /nfs/dbraw/zinc/18/31/27/860183127.db2.gz LRKGLZTUPIBTLF-XLIONFOSSA-N 2 1 399.560 3.820 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000602629583 860183139 /nfs/dbraw/zinc/18/31/39/860183139.db2.gz LRKGLZTUPIBTLF-XLIONFOSSA-N 2 1 399.560 3.820 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1 ZINC000154620754 860207161 /nfs/dbraw/zinc/20/71/61/860207161.db2.gz FQGMQWASEKLZLY-UHFFFAOYSA-N 2 1 398.551 3.709 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000535295304 860259996 /nfs/dbraw/zinc/25/99/96/860259996.db2.gz PAPDEYNLUPSJDI-QHCPKHFHSA-N 2 1 392.547 3.658 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000535295304 860259999 /nfs/dbraw/zinc/25/99/99/860259999.db2.gz PAPDEYNLUPSJDI-QHCPKHFHSA-N 2 1 392.547 3.658 20 0 GHADMP OC1(CC[NH2+]Cc2csc(C(F)(F)F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000896020539 860262920 /nfs/dbraw/zinc/26/29/20/860262920.db2.gz ZIGRFSLVIRZBBE-UHFFFAOYSA-N 2 1 399.482 3.669 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n2c1CCCC2 ZINC000598637470 860465606 /nfs/dbraw/zinc/46/56/06/860465606.db2.gz ZOHHYUQAKVCPLD-INIZCTEOSA-N 2 1 392.503 3.956 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011439 860530940 /nfs/dbraw/zinc/53/09/40/860530940.db2.gz AWQJZWDBFNAQGK-YLJYHZDGSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011439 860530947 /nfs/dbraw/zinc/53/09/47/860530947.db2.gz AWQJZWDBFNAQGK-YLJYHZDGSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011439 860530952 /nfs/dbraw/zinc/53/09/52/860530952.db2.gz AWQJZWDBFNAQGK-YLJYHZDGSA-N 2 1 394.991 3.706 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000904639730 860540441 /nfs/dbraw/zinc/54/04/41/860540441.db2.gz LKELKARWUIPMLE-WOJBJXKFSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000904639730 860540446 /nfs/dbraw/zinc/54/04/46/860540446.db2.gz LKELKARWUIPMLE-WOJBJXKFSA-N 2 1 388.462 3.769 20 0 GHADMP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(c3cnccn3)CC2)CCCC1)c1ccccc1 ZINC000532230424 881558039 /nfs/dbraw/zinc/55/80/39/881558039.db2.gz QRRYCVMSHXLFPG-LJQANCHMSA-N 2 1 379.552 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000125397985 860656440 /nfs/dbraw/zinc/65/64/40/860656440.db2.gz OKMIMXSYIRNCID-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1ccccc1OCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597514 881572055 /nfs/dbraw/zinc/57/20/55/881572055.db2.gz ITIWUASURUWGKG-JOCHJYFZSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccccc1OCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597514 881572059 /nfs/dbraw/zinc/57/20/59/881572059.db2.gz ITIWUASURUWGKG-JOCHJYFZSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccccc1OCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597514 881572078 /nfs/dbraw/zinc/57/20/78/881572078.db2.gz ITIWUASURUWGKG-JOCHJYFZSA-N 2 1 383.536 3.762 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc4ccccc4n3)C2)ccn1 ZINC000856606218 881585507 /nfs/dbraw/zinc/58/55/07/881585507.db2.gz JILZOHIXEINBAZ-OAQYLSRUSA-N 2 1 391.519 3.518 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc4ccccc4n3)C2)ccn1 ZINC000856606218 881585518 /nfs/dbraw/zinc/58/55/18/881585518.db2.gz JILZOHIXEINBAZ-OAQYLSRUSA-N 2 1 391.519 3.518 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc4ccccc4n3)C2)ccn1 ZINC000856606218 881585523 /nfs/dbraw/zinc/58/55/23/881585523.db2.gz JILZOHIXEINBAZ-OAQYLSRUSA-N 2 1 391.519 3.518 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2c(F)cccc2Cl)CCO1 ZINC000623358229 860916269 /nfs/dbraw/zinc/91/62/69/860916269.db2.gz UQPGOHRHBGDCEX-JTDSTZFVSA-N 2 1 397.966 3.703 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2c(F)cccc2Cl)CCO1 ZINC000623358229 860916279 /nfs/dbraw/zinc/91/62/79/860916279.db2.gz UQPGOHRHBGDCEX-JTDSTZFVSA-N 2 1 397.966 3.703 20 0 GHADMP C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(C)(C)C[NH+](C)C ZINC000120424643 881596317 /nfs/dbraw/zinc/59/63/17/881596317.db2.gz AIOSXJXMIDXWCN-OALUTQOASA-N 2 1 380.621 3.649 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623371443 860957664 /nfs/dbraw/zinc/95/76/64/860957664.db2.gz DBPVVGLJOOVPIM-RDJZCZTQSA-N 2 1 380.374 3.738 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cn2)n1 ZINC000481304362 860987497 /nfs/dbraw/zinc/98/74/97/860987497.db2.gz HTAXZGVEHLYMEC-WZONZLPQSA-N 2 1 389.547 3.884 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000600122890 861057057 /nfs/dbraw/zinc/05/70/57/861057057.db2.gz DOHNYNSYNRDKQD-GOSISDBHSA-N 2 1 381.520 3.780 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000600130952 861081024 /nfs/dbraw/zinc/08/10/24/861081024.db2.gz BLUGDVWZMHMWJR-UHFFFAOYSA-N 2 1 381.520 3.924 20 0 GHADMP CC[C@H]1[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048932 863107839 /nfs/dbraw/zinc/10/78/39/863107839.db2.gz YJKOYGOYPSOSDH-ZFMISHDWSA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@H]1[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048932 863107845 /nfs/dbraw/zinc/10/78/45/863107845.db2.gz YJKOYGOYPSOSDH-ZFMISHDWSA-N 2 1 383.580 3.951 20 0 GHADMP COC(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000182421543 863222726 /nfs/dbraw/zinc/22/27/26/863222726.db2.gz ORMKGGPNLBFUFH-UHFFFAOYSA-N 2 1 378.472 3.988 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000482529257 863260102 /nfs/dbraw/zinc/26/01/02/863260102.db2.gz BBSMFYOQCISOKP-DENIHFKCSA-N 2 1 395.547 3.504 20 0 GHADMP Cc1ccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(OCC[NH+](C)C)c1 ZINC000606589008 863735783 /nfs/dbraw/zinc/73/57/83/863735783.db2.gz NRXYXQUPRRUTNI-IBGZPJMESA-N 2 1 398.551 3.577 20 0 GHADMP Cc1nc2ccccc2nc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177488188 863846417 /nfs/dbraw/zinc/84/64/17/863846417.db2.gz LVERBTGSSUDCGU-HDICACEKSA-N 2 1 382.552 3.650 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCc2sccc2C1 ZINC000103229031 863914587 /nfs/dbraw/zinc/91/45/87/863914587.db2.gz DYYXAHXPODBADS-IBGZPJMESA-N 2 1 389.609 3.611 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC000667611280 863965850 /nfs/dbraw/zinc/96/58/50/863965850.db2.gz IZFQOARHEPQCEU-RDJZCZTQSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC000667611280 863965868 /nfs/dbraw/zinc/96/58/68/863965868.db2.gz IZFQOARHEPQCEU-RDJZCZTQSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC000667611280 863965890 /nfs/dbraw/zinc/96/58/90/863965890.db2.gz IZFQOARHEPQCEU-RDJZCZTQSA-N 2 1 399.564 3.639 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168769093 864039482 /nfs/dbraw/zinc/03/94/82/864039482.db2.gz ZNTLBQZPMSVGPR-GYXMONNMSA-N 2 1 388.552 3.889 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000898516932 864073144 /nfs/dbraw/zinc/07/31/44/864073144.db2.gz FRJJSSHUNIKXFG-CEXWTWQISA-N 2 1 377.488 3.924 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898518675 864079287 /nfs/dbraw/zinc/07/92/87/864079287.db2.gz JCGDYKWNPHCQSE-DEPCRRQNSA-N 2 1 382.470 3.987 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000554310888 864111994 /nfs/dbraw/zinc/11/19/94/864111994.db2.gz SXRCZKASWPKKJT-UHFFFAOYSA-N 2 1 393.522 3.539 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC(F)(F)CC2)CC1 ZINC000554310888 864111998 /nfs/dbraw/zinc/11/19/98/864111998.db2.gz SXRCZKASWPKKJT-UHFFFAOYSA-N 2 1 393.522 3.539 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC(F)(F)CC2)CC1 ZINC000554310888 864112004 /nfs/dbraw/zinc/11/20/04/864112004.db2.gz SXRCZKASWPKKJT-UHFFFAOYSA-N 2 1 393.522 3.539 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000607281727 864240299 /nfs/dbraw/zinc/24/02/99/864240299.db2.gz AJBLAEBSCXRUAG-VXKWHMMOSA-N 2 1 383.511 3.599 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475116204 864242907 /nfs/dbraw/zinc/24/29/07/864242907.db2.gz HVNOINYBDYHQPN-KNQAVFIVSA-N 2 1 398.595 3.918 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC001183045419 912213667 /nfs/dbraw/zinc/21/36/67/912213667.db2.gz JKAVMHHJDOGYEZ-QFIPXVFZSA-N 2 1 399.583 3.969 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000480230108 864311503 /nfs/dbraw/zinc/31/15/03/864311503.db2.gz QZEBGQDDBOJJSN-IEZKXTBUSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000480230117 864311998 /nfs/dbraw/zinc/31/19/98/864311998.db2.gz QZEBGQDDBOJJSN-ZODMCCGTSA-N 2 1 393.575 3.560 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000607391112 864335745 /nfs/dbraw/zinc/33/57/45/864335745.db2.gz CYLPGVBJAJFPAB-GZGNHOFSSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000607391112 864335761 /nfs/dbraw/zinc/33/57/61/864335761.db2.gz CYLPGVBJAJFPAB-GZGNHOFSSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000607391112 864335764 /nfs/dbraw/zinc/33/57/64/864335764.db2.gz CYLPGVBJAJFPAB-GZGNHOFSSA-N 2 1 396.575 3.736 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000621642516 864346012 /nfs/dbraw/zinc/34/60/12/864346012.db2.gz PJQFDEZTJXSLST-GHTZIAJQSA-N 2 1 397.588 3.744 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000621642516 864346021 /nfs/dbraw/zinc/34/60/21/864346021.db2.gz PJQFDEZTJXSLST-GHTZIAJQSA-N 2 1 397.588 3.744 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001183045419 912213683 /nfs/dbraw/zinc/21/36/83/912213683.db2.gz JKAVMHHJDOGYEZ-QFIPXVFZSA-N 2 1 399.583 3.969 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001183045419 912213712 /nfs/dbraw/zinc/21/37/12/912213712.db2.gz JKAVMHHJDOGYEZ-QFIPXVFZSA-N 2 1 399.583 3.969 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1)C(C)C ZINC000607535322 864507556 /nfs/dbraw/zinc/50/75/56/864507556.db2.gz QPRKDWCULKRHLD-UHFFFAOYSA-N 2 1 393.575 3.746 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)ccc21 ZINC000455944814 864519522 /nfs/dbraw/zinc/51/95/22/864519522.db2.gz WAVPRGYJUDEGEZ-OAQYLSRUSA-N 2 1 384.499 3.628 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@H](C)C1 ZINC000165418576 864670465 /nfs/dbraw/zinc/67/04/65/864670465.db2.gz XAAMBGIXXZIAAE-SJLPKXTDSA-N 2 1 385.508 3.711 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@H](C)C1 ZINC000165418576 864670470 /nfs/dbraw/zinc/67/04/70/864670470.db2.gz XAAMBGIXXZIAAE-SJLPKXTDSA-N 2 1 385.508 3.711 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000607720473 864692246 /nfs/dbraw/zinc/69/22/46/864692246.db2.gz PTYBOLFKKRPWDF-XMMPIXPASA-N 2 1 393.575 3.925 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000607720473 864692254 /nfs/dbraw/zinc/69/22/54/864692254.db2.gz PTYBOLFKKRPWDF-XMMPIXPASA-N 2 1 393.575 3.925 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475342501 864817592 /nfs/dbraw/zinc/81/75/92/864817592.db2.gz KHQCDEZDCWSDSC-XZSMBWTPSA-N 2 1 395.513 3.902 20 0 GHADMP CC[NH+](CC)CCC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000554811224 864938389 /nfs/dbraw/zinc/93/83/89/864938389.db2.gz DDYAOAVPEPXTEL-UHFFFAOYSA-N 2 1 388.474 3.687 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)COc3ccccc3C)C2)s1 ZINC000554851190 865042667 /nfs/dbraw/zinc/04/26/67/865042667.db2.gz AOQQXDGSIHQUDN-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3ccccc3C)C2)s1 ZINC000554851190 865042674 /nfs/dbraw/zinc/04/26/74/865042674.db2.gz AOQQXDGSIHQUDN-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3ccccc3C)C2)s1 ZINC000554851190 865042683 /nfs/dbraw/zinc/04/26/83/865042683.db2.gz AOQQXDGSIHQUDN-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480719096 865160771 /nfs/dbraw/zinc/16/07/71/865160771.db2.gz XIDBMJXSJMCYBD-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480719096 865160775 /nfs/dbraw/zinc/16/07/75/865160775.db2.gz XIDBMJXSJMCYBD-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480719096 865160782 /nfs/dbraw/zinc/16/07/82/865160782.db2.gz XIDBMJXSJMCYBD-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726177 865179001 /nfs/dbraw/zinc/17/90/01/865179001.db2.gz HJRXGZYUHIHKLE-FXAWDEMLSA-N 2 1 377.598 3.902 20 0 GHADMP CC[N@H+](C)C[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000301454559 865371855 /nfs/dbraw/zinc/37/18/55/865371855.db2.gz RMLJWHUPRMXOAK-QGZVFWFLSA-N 2 1 387.597 3.682 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000301454559 865371870 /nfs/dbraw/zinc/37/18/70/865371870.db2.gz RMLJWHUPRMXOAK-QGZVFWFLSA-N 2 1 387.597 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000608499809 865388166 /nfs/dbraw/zinc/38/81/66/865388166.db2.gz IEYONSCIDZBYQX-HOTGVXAUSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000608499809 865388182 /nfs/dbraw/zinc/38/81/82/865388182.db2.gz IEYONSCIDZBYQX-HOTGVXAUSA-N 2 1 387.351 3.541 20 0 GHADMP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301539630 865412289 /nfs/dbraw/zinc/41/22/89/865412289.db2.gz MYEFJWZJAUHCKS-HNNXBMFYSA-N 2 1 378.314 3.502 20 0 GHADMP CCCc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301876707 865582395 /nfs/dbraw/zinc/58/23/95/865582395.db2.gz YOJNDCUMLZDGFT-WCRBZPEASA-N 2 1 378.564 3.935 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000555169023 865639026 /nfs/dbraw/zinc/63/90/26/865639026.db2.gz VAQQMUFIELUWOL-LJQANCHMSA-N 2 1 381.358 3.653 20 0 GHADMP c1cc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)cs1 ZINC000555209780 865687480 /nfs/dbraw/zinc/68/74/80/865687480.db2.gz ITKUPAFSUCDHMK-UHFFFAOYSA-N 2 1 377.579 3.806 20 0 GHADMP c1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000671254174 865732217 /nfs/dbraw/zinc/73/22/17/865732217.db2.gz SXCXPSXEKIYOHH-ZEQRLZLVSA-N 2 1 384.564 3.692 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000156828190 865775877 /nfs/dbraw/zinc/77/58/77/865775877.db2.gz QRNQDONMSMYSQU-IBGZPJMESA-N 2 1 377.532 3.976 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000156828190 865775880 /nfs/dbraw/zinc/77/58/80/865775880.db2.gz QRNQDONMSMYSQU-IBGZPJMESA-N 2 1 377.532 3.976 20 0 GHADMP C[C@@H](C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000494563499 881916285 /nfs/dbraw/zinc/91/62/85/881916285.db2.gz NQZNTGCJSYGSTD-NRFANRHFSA-N 2 1 393.575 3.750 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667829788 865919046 /nfs/dbraw/zinc/91/90/46/865919046.db2.gz DGXSMADUZKXQAC-SFHVURJKSA-N 2 1 396.510 3.505 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)C2)CC1 ZINC000533987347 865926185 /nfs/dbraw/zinc/92/61/85/865926185.db2.gz YJTAJOXKKBWPJH-PMVMPFDFSA-N 2 1 398.595 3.585 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000481181588 865940857 /nfs/dbraw/zinc/94/08/57/865940857.db2.gz ZTBNKNDZBDUMKW-FOVJLYNBSA-N 2 1 391.559 3.680 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000481181588 865940865 /nfs/dbraw/zinc/94/08/65/865940865.db2.gz ZTBNKNDZBDUMKW-FOVJLYNBSA-N 2 1 391.559 3.680 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C2CC2)o1 ZINC000481172319 865957332 /nfs/dbraw/zinc/95/73/32/865957332.db2.gz GKZDDOJGSPCKDC-WZONZLPQSA-N 2 1 395.547 3.579 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C2CC2)o1 ZINC000481172319 865957344 /nfs/dbraw/zinc/95/73/44/865957344.db2.gz GKZDDOJGSPCKDC-WZONZLPQSA-N 2 1 395.547 3.579 20 0 GHADMP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209495 866013651 /nfs/dbraw/zinc/01/36/51/866013651.db2.gz ZCGSDQSEWWOBCD-WFXMLNOXSA-N 2 1 397.588 3.522 20 0 GHADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209495 866013665 /nfs/dbraw/zinc/01/36/65/866013665.db2.gz ZCGSDQSEWWOBCD-WFXMLNOXSA-N 2 1 397.588 3.522 20 0 GHADMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209492 866013801 /nfs/dbraw/zinc/01/38/01/866013801.db2.gz ZCGSDQSEWWOBCD-BBTUJRGHSA-N 2 1 397.588 3.522 20 0 GHADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209492 866013812 /nfs/dbraw/zinc/01/38/12/866013812.db2.gz ZCGSDQSEWWOBCD-BBTUJRGHSA-N 2 1 397.588 3.522 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000175840341 866042567 /nfs/dbraw/zinc/04/25/67/866042567.db2.gz UXAJSNPMXAGHCV-GOSISDBHSA-N 2 1 395.551 3.902 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000175840341 866042585 /nfs/dbraw/zinc/04/25/85/866042585.db2.gz UXAJSNPMXAGHCV-GOSISDBHSA-N 2 1 395.551 3.902 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534085645 866105708 /nfs/dbraw/zinc/10/57/08/866105708.db2.gz LMDZSWAIIZQFPG-VQTJNVASSA-N 2 1 392.975 3.649 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534085645 866105711 /nfs/dbraw/zinc/10/57/11/866105711.db2.gz LMDZSWAIIZQFPG-VQTJNVASSA-N 2 1 392.975 3.649 20 0 GHADMP Clc1cc(Cl)c(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000655720835 866533344 /nfs/dbraw/zinc/53/33/44/866533344.db2.gz HHUKOJFTFWGUIP-AWEZNQCLSA-N 2 1 393.742 3.869 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCCc4ccccc43)CC2)CC1 ZINC000582249059 866567408 /nfs/dbraw/zinc/56/74/08/866567408.db2.gz CTXFJSYZGOBEIG-QHCPKHFHSA-N 2 1 383.580 3.719 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000553038146 866679278 /nfs/dbraw/zinc/67/92/78/866679278.db2.gz SWVZWRFFMOSSFS-ARFHVFGLSA-N 2 1 391.522 3.522 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000553038146 866679286 /nfs/dbraw/zinc/67/92/86/866679286.db2.gz SWVZWRFFMOSSFS-ARFHVFGLSA-N 2 1 391.522 3.522 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000553038146 866679295 /nfs/dbraw/zinc/67/92/95/866679295.db2.gz SWVZWRFFMOSSFS-ARFHVFGLSA-N 2 1 391.522 3.522 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000478806783 866679351 /nfs/dbraw/zinc/67/93/51/866679351.db2.gz NTFBIVRWPOAOGV-VIZSFHNOSA-N 2 1 398.595 3.829 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)C1CCCCC1 ZINC000523192623 866841223 /nfs/dbraw/zinc/84/12/23/866841223.db2.gz BYLRDXOVNQZZSB-SFHVURJKSA-N 2 1 392.613 3.524 20 0 GHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000523192623 866841243 /nfs/dbraw/zinc/84/12/43/866841243.db2.gz BYLRDXOVNQZZSB-SFHVURJKSA-N 2 1 392.613 3.524 20 0 GHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000523192623 866841258 /nfs/dbraw/zinc/84/12/58/866841258.db2.gz BYLRDXOVNQZZSB-SFHVURJKSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC000478927219 866889453 /nfs/dbraw/zinc/88/94/53/866889453.db2.gz XDYWUKMHCUBQPS-RDJZCZTQSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@H]1CCC[C@H](C)C1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444589467 866910467 /nfs/dbraw/zinc/91/04/67/866910467.db2.gz BAAHYMCTAAESEY-OALUTQOASA-N 2 1 392.632 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000444598003 866921126 /nfs/dbraw/zinc/92/11/26/866921126.db2.gz NYNJPTBYEMJPIY-JXFKEZNVSA-N 2 1 385.556 3.907 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1C ZINC000444584785 866928904 /nfs/dbraw/zinc/92/89/04/866928904.db2.gz VOKSXGWAPUDJTL-WWMYMODYSA-N 2 1 383.540 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1C ZINC000444584785 866928915 /nfs/dbraw/zinc/92/89/15/866928915.db2.gz VOKSXGWAPUDJTL-WWMYMODYSA-N 2 1 383.540 3.756 20 0 GHADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444602225 866935426 /nfs/dbraw/zinc/93/54/26/866935426.db2.gz ZESOKBWRBYXNFI-FXAWDEMLSA-N 2 1 383.540 3.805 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444602225 866935442 /nfs/dbraw/zinc/93/54/42/866935442.db2.gz ZESOKBWRBYXNFI-FXAWDEMLSA-N 2 1 383.540 3.805 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857138282 882045182 /nfs/dbraw/zinc/04/51/82/882045182.db2.gz PGEGAGIQDDYROD-ZEQRLZLVSA-N 2 1 391.559 3.842 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857138282 882045202 /nfs/dbraw/zinc/04/52/02/882045202.db2.gz PGEGAGIQDDYROD-ZEQRLZLVSA-N 2 1 391.559 3.842 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857138282 882045220 /nfs/dbraw/zinc/04/52/20/882045220.db2.gz PGEGAGIQDDYROD-ZEQRLZLVSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000857153238 882062038 /nfs/dbraw/zinc/06/20/38/882062038.db2.gz UTNCMRWHDHQOTN-BJKOFHAPSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000857153238 882062055 /nfs/dbraw/zinc/06/20/55/882062055.db2.gz UTNCMRWHDHQOTN-BJKOFHAPSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000857153238 882062074 /nfs/dbraw/zinc/06/20/74/882062074.db2.gz UTNCMRWHDHQOTN-BJKOFHAPSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455925364 867294800 /nfs/dbraw/zinc/29/48/00/867294800.db2.gz NAWLQALTMUSDJC-JTHBVZDNSA-N 2 1 392.547 3.974 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000534833619 867564866 /nfs/dbraw/zinc/56/48/66/867564866.db2.gz PWLDYUHEXLZPSU-QLIIJSOBSA-N 2 1 392.975 3.599 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000534833619 867564873 /nfs/dbraw/zinc/56/48/73/867564873.db2.gz PWLDYUHEXLZPSU-QLIIJSOBSA-N 2 1 392.975 3.599 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000534833619 867564882 /nfs/dbraw/zinc/56/48/82/867564882.db2.gz PWLDYUHEXLZPSU-QLIIJSOBSA-N 2 1 392.975 3.599 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000534833619 867564901 /nfs/dbraw/zinc/56/49/01/867564901.db2.gz PWLDYUHEXLZPSU-QLIIJSOBSA-N 2 1 392.975 3.599 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000479411823 867734347 /nfs/dbraw/zinc/73/43/47/867734347.db2.gz RABUFPOUBNZYRY-SYYKKAFVSA-N 2 1 375.520 3.784 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000479411823 867734362 /nfs/dbraw/zinc/73/43/62/867734362.db2.gz RABUFPOUBNZYRY-SYYKKAFVSA-N 2 1 375.520 3.784 20 0 GHADMP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965207 867836516 /nfs/dbraw/zinc/83/65/16/867836516.db2.gz OBYZPFYANOJCSA-SFTDATJTSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000743263099 868034698 /nfs/dbraw/zinc/03/46/98/868034698.db2.gz ZKBZAZATFRZFPZ-JXALWOEJSA-N 2 1 382.548 3.736 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553865674 868372160 /nfs/dbraw/zinc/37/21/60/868372160.db2.gz YVQBILRQPDBKSC-AZUAARDMSA-N 2 1 398.595 3.826 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+](C2CCC2)C1 ZINC000553865674 868372169 /nfs/dbraw/zinc/37/21/69/868372169.db2.gz YVQBILRQPDBKSC-AZUAARDMSA-N 2 1 398.595 3.826 20 0 GHADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121615111 882182748 /nfs/dbraw/zinc/18/27/48/882182748.db2.gz XZSVQOBASGRIHB-KRWDZBQOSA-N 2 1 392.613 3.861 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000156596209 868411119 /nfs/dbraw/zinc/41/11/19/868411119.db2.gz IVHUKNFUQBAXQJ-BJKOFHAPSA-N 2 1 391.559 3.875 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnc2ccccc2c1 ZINC000457620593 868521172 /nfs/dbraw/zinc/52/11/72/868521172.db2.gz FCSBCRYJKUFKLG-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)c2)C1 ZINC000857339262 882210383 /nfs/dbraw/zinc/21/03/83/882210383.db2.gz ODBLQQDCIBWRFV-DHIUTWEWSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[N@@H+]3Cc3ccccc3)c2)C1 ZINC000857339262 882210394 /nfs/dbraw/zinc/21/03/94/882210394.db2.gz ODBLQQDCIBWRFV-DHIUTWEWSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)c2)C1 ZINC000857339262 882210407 /nfs/dbraw/zinc/21/04/07/882210407.db2.gz ODBLQQDCIBWRFV-DHIUTWEWSA-N 2 1 377.532 3.500 20 0 GHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000535385838 868671354 /nfs/dbraw/zinc/67/13/54/868671354.db2.gz SSQHZJOMNPLWMQ-GASCZTMLSA-N 2 1 376.570 3.561 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000572588962 868721253 /nfs/dbraw/zinc/72/12/53/868721253.db2.gz YNNCUBUXBKXKGS-ZEQRLZLVSA-N 2 1 396.575 3.935 20 0 GHADMP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000554087626 868729491 /nfs/dbraw/zinc/72/94/91/868729491.db2.gz YGGJRSFLZZUHRZ-GOSISDBHSA-N 2 1 390.930 3.852 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[nH+]c1 ZINC000744298597 868742116 /nfs/dbraw/zinc/74/21/16/868742116.db2.gz PBCHACHEIPXPTP-UHFFFAOYSA-N 2 1 387.572 3.536 20 0 GHADMP Clc1ccc2sc(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)nc2c1 ZINC000655731453 882225811 /nfs/dbraw/zinc/22/58/11/882225811.db2.gz RNTDWOPDEVNCFR-MRXNPFEDSA-N 2 1 379.957 3.725 20 0 GHADMP c1ccc([C@H]2CC[NH+](CC3(C[N@H+]4CC[C@H](c5ccccc5)C4)COC3)C2)cc1 ZINC000157843562 868778842 /nfs/dbraw/zinc/77/88/42/868778842.db2.gz UJVGQBVLJSCPKF-ZEQRLZLVSA-N 2 1 376.544 3.982 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379618919 869008938 /nfs/dbraw/zinc/00/89/38/869008938.db2.gz AXRNOIUKHSMGIP-IEBWSBKVSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379618919 869008952 /nfs/dbraw/zinc/00/89/52/869008952.db2.gz AXRNOIUKHSMGIP-IEBWSBKVSA-N 2 1 375.557 3.932 20 0 GHADMP Brc1cc(Br)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000394550628 882254614 /nfs/dbraw/zinc/25/46/14/882254614.db2.gz DWOICJYBEQBJNQ-UHFFFAOYSA-N 2 1 388.147 3.928 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000744874393 869148257 /nfs/dbraw/zinc/14/82/57/869148257.db2.gz PVGZVMMLEIXDJK-FQEVSTJZSA-N 2 1 392.632 3.842 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000793604216 882307170 /nfs/dbraw/zinc/30/71/70/882307170.db2.gz CXRPTISTYMNXDG-HBFSDRIKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000793604216 882307188 /nfs/dbraw/zinc/30/71/88/882307188.db2.gz CXRPTISTYMNXDG-HBFSDRIKSA-N 2 1 375.557 3.932 20 0 GHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000539909002 870006983 /nfs/dbraw/zinc/00/69/83/870006983.db2.gz OROWFPIXDZNGMY-JOCHJYFZSA-N 2 1 392.547 3.571 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n(C)c1C ZINC000462787969 870079789 /nfs/dbraw/zinc/07/97/89/870079789.db2.gz NFDSQSUNWHAZJN-KRWDZBQOSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cnn1C(C)(C)C ZINC000191164673 882371783 /nfs/dbraw/zinc/37/17/83/882371783.db2.gz ULKONWKRQNWPHK-AUSIDOKSSA-N 2 1 397.611 3.976 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000247977893 870252884 /nfs/dbraw/zinc/25/28/84/870252884.db2.gz LPIWMKRCTXKRPQ-RTBURBONSA-N 2 1 389.588 3.514 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000247977893 870252895 /nfs/dbraw/zinc/25/28/95/870252895.db2.gz LPIWMKRCTXKRPQ-RTBURBONSA-N 2 1 389.588 3.514 20 0 GHADMP Nc1nc(CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)nc2sc3c(c21)CCCC3 ZINC000540068124 870358417 /nfs/dbraw/zinc/35/84/17/870358417.db2.gz WIZYKFQMYAXVMN-INIZCTEOSA-N 2 1 399.608 3.503 20 0 GHADMP Nc1nc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)nc2sc3c(c21)CCCC3 ZINC000540068124 870358432 /nfs/dbraw/zinc/35/84/32/870358432.db2.gz WIZYKFQMYAXVMN-INIZCTEOSA-N 2 1 399.608 3.503 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)[C@H](C)C1 ZINC000248422742 870403793 /nfs/dbraw/zinc/40/37/93/870403793.db2.gz MUSZICVDXAQZSE-FGSXEWAUSA-N 2 1 399.579 3.760 20 0 GHADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccc(F)cc1 ZINC001192452627 870414785 /nfs/dbraw/zinc/41/47/85/870414785.db2.gz MZJHLYBQLWSHOB-HSZRJFAPSA-N 2 1 397.538 3.909 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1)c1ccccc1 ZINC001192515710 870450098 /nfs/dbraw/zinc/45/00/98/870450098.db2.gz RFZDZDKUQHIUBV-CVDCTZTESA-N 2 1 397.538 3.814 20 0 GHADMP Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000538737406 870492044 /nfs/dbraw/zinc/49/20/44/870492044.db2.gz BPLWVGAQBLHVFU-QFIPXVFZSA-N 2 1 379.552 3.654 20 0 GHADMP Cc1cccc([C@@H]2CCCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000538737406 870492066 /nfs/dbraw/zinc/49/20/66/870492066.db2.gz BPLWVGAQBLHVFU-QFIPXVFZSA-N 2 1 379.552 3.654 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000538723921 870519469 /nfs/dbraw/zinc/51/94/69/870519469.db2.gz GWJJZERGUBFVDD-GCJKJVERSA-N 2 1 385.527 3.852 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000538723921 870519477 /nfs/dbraw/zinc/51/94/77/870519477.db2.gz GWJJZERGUBFVDD-GCJKJVERSA-N 2 1 385.527 3.852 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248606996 870532384 /nfs/dbraw/zinc/53/23/84/870532384.db2.gz WNDAXYXHTCWLHU-FTRWYGJKSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248606996 870532557 /nfs/dbraw/zinc/53/25/57/870532557.db2.gz WNDAXYXHTCWLHU-FTRWYGJKSA-N 2 1 375.944 3.688 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n(C)c1C ZINC000462959411 870580715 /nfs/dbraw/zinc/58/07/15/870580715.db2.gz VBHAAEPAXCVQPO-UHFFFAOYSA-N 2 1 395.547 3.608 20 0 GHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000446881585 870624907 /nfs/dbraw/zinc/62/49/07/870624907.db2.gz SPFJEJXHSVASOA-DNQXCXABSA-N 2 1 382.548 3.584 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000766382143 870668254 /nfs/dbraw/zinc/66/82/54/870668254.db2.gz STOUAOPOIFVRPF-UHFFFAOYSA-N 2 1 376.570 3.640 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000248955561 870701418 /nfs/dbraw/zinc/70/14/18/870701418.db2.gz FTZJYTDHCPWKCQ-JKSUJKDBSA-N 2 1 380.483 3.658 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC[C@@H](C(F)(F)F)C1 ZINC000249178333 870781071 /nfs/dbraw/zinc/78/10/71/870781071.db2.gz GMSYOALLPRZNEH-YMQHIKHWSA-N 2 1 396.497 3.970 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1)CC(C)C ZINC000540264482 870871725 /nfs/dbraw/zinc/87/17/25/870871725.db2.gz ITBYYTBVSRHLJI-SFTDATJTSA-N 2 1 380.621 3.649 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249728754 870893459 /nfs/dbraw/zinc/89/34/59/870893459.db2.gz WFAOBVPMYCVHPC-RTBURBONSA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249728754 870893464 /nfs/dbraw/zinc/89/34/64/870893464.db2.gz WFAOBVPMYCVHPC-RTBURBONSA-N 2 1 397.567 3.701 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1)CC(C)C ZINC000540277699 870896311 /nfs/dbraw/zinc/89/63/11/870896311.db2.gz OIGMYGBXORBKFL-LJQANCHMSA-N 2 1 382.637 3.752 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168840093 870899769 /nfs/dbraw/zinc/89/97/69/870899769.db2.gz QTGLSLRQBCXHCI-LEAZDLGRSA-N 2 1 388.556 3.551 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)on1 ZINC000249767272 870907447 /nfs/dbraw/zinc/90/74/47/870907447.db2.gz QBECPTSGTCDEGF-NUJGCVRESA-N 2 1 384.524 3.578 20 0 GHADMP C[N@@H+](CCCn1c2ccccc2[nH]c1=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538943840 870947031 /nfs/dbraw/zinc/94/70/31/870947031.db2.gz QALBVYMCKTUKSI-UHFFFAOYSA-N 2 1 393.535 3.766 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c(C)n2n1 ZINC000538983885 871045831 /nfs/dbraw/zinc/04/58/31/871045831.db2.gz CWFVTQGPEFNPSK-NRJQMVOHSA-N 2 1 377.536 3.907 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c(C)n2n1 ZINC000538983885 871045851 /nfs/dbraw/zinc/04/58/51/871045851.db2.gz CWFVTQGPEFNPSK-NRJQMVOHSA-N 2 1 377.536 3.907 20 0 GHADMP C[NH+](C)CCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000516600477 871123041 /nfs/dbraw/zinc/12/30/41/871123041.db2.gz QHFZJJWBNWEVNX-UHFFFAOYSA-N 2 1 386.367 3.806 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC3(CCN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001169097510 871173967 /nfs/dbraw/zinc/17/39/67/871173967.db2.gz ARZZKSNZGUMNNP-FUGRQQPGSA-N 2 1 377.573 3.771 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(N2CCOCC2)c1 ZINC000463203214 871177888 /nfs/dbraw/zinc/17/78/88/871177888.db2.gz DMEPPNVUQAUCKH-XUZZJYLKSA-N 2 1 393.575 3.974 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001169128490 871216490 /nfs/dbraw/zinc/21/64/90/871216490.db2.gz DLSHWRMRBCBZGD-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3cccc(Br)c3)CCOCC1)C2 ZINC001169109586 871235015 /nfs/dbraw/zinc/23/50/15/871235015.db2.gz DYRVNBRCAACOCO-NNZMDNLPSA-N 2 1 379.342 3.670 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(Br)cc3)CC1)C2 ZINC001169111923 871239384 /nfs/dbraw/zinc/23/93/84/871239384.db2.gz QYDJLHLCWLFTSK-ACDBMABISA-N 2 1 392.385 3.628 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000191498485 882491643 /nfs/dbraw/zinc/49/16/43/882491643.db2.gz XBQPGEMILKENOG-FQEVSTJZSA-N 2 1 382.017 3.846 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169155160 871269925 /nfs/dbraw/zinc/26/99/25/871269925.db2.gz YWMXBONMKVKTHM-BWTSREIZSA-N 2 1 395.469 3.525 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000252646010 871339101 /nfs/dbraw/zinc/33/91/01/871339101.db2.gz DEJRPBXOHATQJW-RTBURBONSA-N 2 1 392.613 3.504 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000729589376 871440013 /nfs/dbraw/zinc/44/00/13/871440013.db2.gz QSQPUXYLRKUBED-UHFFFAOYSA-N 2 1 396.579 3.930 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001169524071 871600326 /nfs/dbraw/zinc/60/03/26/871600326.db2.gz CFJFNACJKHDOKP-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001169524071 871600335 /nfs/dbraw/zinc/60/03/35/871600335.db2.gz CFJFNACJKHDOKP-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001169524071 871600344 /nfs/dbraw/zinc/60/03/44/871600344.db2.gz CFJFNACJKHDOKP-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000552034873 871613678 /nfs/dbraw/zinc/61/36/78/871613678.db2.gz PVEYEVRKRDEWJP-UHFFFAOYSA-N 2 1 380.458 3.978 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001169539888 871617663 /nfs/dbraw/zinc/61/76/63/871617663.db2.gz KMQOEQMYYQZWEK-UEVCKROQSA-N 2 1 379.548 3.706 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@H](Nc2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001169517588 871624913 /nfs/dbraw/zinc/62/49/13/871624913.db2.gz GWPKIFNMWUMDRZ-YMPZKCBVSA-N 2 1 393.531 3.982 20 0 GHADMP [NH3+]C1(c2ccc(N[C@@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2)CC1 ZINC001169517544 871625261 /nfs/dbraw/zinc/62/52/61/871625261.db2.gz GLJGBCOEHXBFPR-WIYYLYMNSA-N 2 1 379.504 3.506 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164617 871722263 /nfs/dbraw/zinc/72/22/63/871722263.db2.gz NTNNQOZGEVKHJU-CYFREDJKSA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164617 871722277 /nfs/dbraw/zinc/72/22/77/871722277.db2.gz NTNNQOZGEVKHJU-CYFREDJKSA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164617 871722285 /nfs/dbraw/zinc/72/22/85/871722285.db2.gz NTNNQOZGEVKHJU-CYFREDJKSA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000462188677 871752765 /nfs/dbraw/zinc/75/27/65/871752765.db2.gz LLMWVNFPNSSEQF-CVDCTZTESA-N 2 1 379.548 3.779 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000552063164 871964343 /nfs/dbraw/zinc/96/43/43/871964343.db2.gz QTVHUYMRWGVNJY-XQUALCHDSA-N 2 1 398.591 3.995 20 0 GHADMP CCOC(=O)c1cccc(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)n1 ZINC001169875231 871978146 /nfs/dbraw/zinc/97/81/46/871978146.db2.gz XLHYGHCBMBGEGM-GOSISDBHSA-N 2 1 393.491 3.535 20 0 GHADMP OC[C@@H](CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC001169897040 871985654 /nfs/dbraw/zinc/98/56/54/871985654.db2.gz ADDOKSUHGLBLPT-TZIWHRDSSA-N 2 1 378.520 3.614 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000552090377 871994055 /nfs/dbraw/zinc/99/40/55/871994055.db2.gz IFBVMEFOJLLKRB-PXNSSMCTSA-N 2 1 381.524 3.512 20 0 GHADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926628 872042549 /nfs/dbraw/zinc/04/25/49/872042549.db2.gz ZKHRFIFLTRUJAT-HNNXBMFYSA-N 2 1 384.442 3.641 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318516 872069130 /nfs/dbraw/zinc/06/91/30/872069130.db2.gz BVMJGBXAVPUWBQ-WMZHIEFXSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000093318516 872069148 /nfs/dbraw/zinc/06/91/48/872069148.db2.gz BVMJGBXAVPUWBQ-WMZHIEFXSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000093318516 872069168 /nfs/dbraw/zinc/06/91/68/872069168.db2.gz BVMJGBXAVPUWBQ-WMZHIEFXSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000093318516 872069187 /nfs/dbraw/zinc/06/91/87/872069187.db2.gz BVMJGBXAVPUWBQ-WMZHIEFXSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+]3CCCC3)cc2)C1 ZINC000540788916 872183300 /nfs/dbraw/zinc/18/33/00/872183300.db2.gz OBSLUOJDRBEUMO-FQEVSTJZSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+]3CCCC3)cc2)C1 ZINC000540788918 872183435 /nfs/dbraw/zinc/18/34/35/872183435.db2.gz OBSLUOJDRBEUMO-HXUWFJFHSA-N 2 1 386.584 3.546 20 0 GHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000175506172 882589979 /nfs/dbraw/zinc/58/99/79/882589979.db2.gz DXPOTCCICGTCLS-UYAOXDASSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175505445 882590114 /nfs/dbraw/zinc/59/01/14/882590114.db2.gz PVVVWLCDFLJLEG-XLIONFOSSA-N 2 1 392.613 3.647 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@H](C)C1 ZINC000093638787 872305022 /nfs/dbraw/zinc/30/50/22/872305022.db2.gz ZGSMWFUOJKSBON-NQIIRXRSSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@H](C)C1 ZINC000093638787 872305025 /nfs/dbraw/zinc/30/50/25/872305025.db2.gz ZGSMWFUOJKSBON-NQIIRXRSSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@H](C)C1 ZINC000093638787 872305035 /nfs/dbraw/zinc/30/50/35/872305035.db2.gz ZGSMWFUOJKSBON-NQIIRXRSSA-N 2 1 383.536 3.831 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030926 872380654 /nfs/dbraw/zinc/38/06/54/872380654.db2.gz YKZZFQJSEFDODS-VQTJNVASSA-N 2 1 379.548 3.819 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030926 872380666 /nfs/dbraw/zinc/38/06/66/872380666.db2.gz YKZZFQJSEFDODS-VQTJNVASSA-N 2 1 379.548 3.819 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030926 872380685 /nfs/dbraw/zinc/38/06/85/872380685.db2.gz YKZZFQJSEFDODS-VQTJNVASSA-N 2 1 379.548 3.819 20 0 GHADMP Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000619180106 872398318 /nfs/dbraw/zinc/39/83/18/872398318.db2.gz FSHLDIXMSRXMDE-SFHVURJKSA-N 2 1 396.535 3.671 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H](C)C[NH+]3CCCCC3)c2C)cc1 ZINC000463741759 872462102 /nfs/dbraw/zinc/46/21/02/872462102.db2.gz OKKMNEBZROXBCE-SFHVURJKSA-N 2 1 384.568 3.768 20 0 GHADMP CCc1csc(CC2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001195631146 872521161 /nfs/dbraw/zinc/52/11/61/872521161.db2.gz RFAJXNLBZKAEOA-HSZRJFAPSA-N 2 1 399.604 3.597 20 0 GHADMP CCc1csc(CC2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001195631146 872521174 /nfs/dbraw/zinc/52/11/74/872521174.db2.gz RFAJXNLBZKAEOA-HSZRJFAPSA-N 2 1 399.604 3.597 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@H]1C ZINC000619428826 872641067 /nfs/dbraw/zinc/64/10/67/872641067.db2.gz XMAROVHTUGJUSI-YBJBBGNCSA-N 2 1 384.564 3.855 20 0 GHADMP CC[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)[C@H](CC)CN1CCC[NH+]1CCCCC1 ZINC000161858658 872686545 /nfs/dbraw/zinc/68/65/45/872686545.db2.gz RGEKTNMKEVIEOH-DNQXCXABSA-N 3 1 392.676 3.913 20 0 GHADMP CC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)[C@H](CC)CN1CCC[NH+]1CCCCC1 ZINC000161858658 872686559 /nfs/dbraw/zinc/68/65/59/872686559.db2.gz RGEKTNMKEVIEOH-DNQXCXABSA-N 3 1 392.676 3.913 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000540991670 872687822 /nfs/dbraw/zinc/68/78/22/872687822.db2.gz IXHPZYFLTJFZRP-HSZRJFAPSA-N 2 1 397.538 3.967 20 0 GHADMP C[C@@H](C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000152985087 873045632 /nfs/dbraw/zinc/04/56/32/873045632.db2.gz YNXZFGZPQFQRSE-PZJWPPBQSA-N 2 1 395.551 3.533 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC000448464793 873419017 /nfs/dbraw/zinc/41/90/17/873419017.db2.gz GBIVCGZBRDIQHO-PXNSSMCTSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000448464793 873419021 /nfs/dbraw/zinc/41/90/21/873419021.db2.gz GBIVCGZBRDIQHO-PXNSSMCTSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000448464793 873419025 /nfs/dbraw/zinc/41/90/25/873419025.db2.gz GBIVCGZBRDIQHO-PXNSSMCTSA-N 2 1 394.991 3.610 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccsc3Br)CC2)nc(C)[nH+]1 ZINC000527669915 873430129 /nfs/dbraw/zinc/43/01/29/873430129.db2.gz KJMSWLYRGPBKLV-UHFFFAOYSA-N 2 1 381.343 3.676 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000448470515 873434653 /nfs/dbraw/zinc/43/46/53/873434653.db2.gz FYSOSSYPYPYBLM-YADHBBJMSA-N 2 1 392.632 3.652 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000541398864 873513570 /nfs/dbraw/zinc/51/35/70/873513570.db2.gz RSKCPUYXQNQGCL-AZUAARDMSA-N 2 1 386.584 3.730 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)n1cccn1 ZINC000527740274 873543453 /nfs/dbraw/zinc/54/34/53/873543453.db2.gz ZKGSNXALJUPEGI-ZWKOTPCHSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)n1cccn1 ZINC000527740274 873543459 /nfs/dbraw/zinc/54/34/59/873543459.db2.gz ZKGSNXALJUPEGI-ZWKOTPCHSA-N 2 1 378.442 3.773 20 0 GHADMP COc1ccc(CN2CC[C@@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000527774705 873586372 /nfs/dbraw/zinc/58/63/72/873586372.db2.gz QUEQBUDCHZSMQQ-HSZRJFAPSA-N 2 1 379.548 3.524 20 0 GHADMP CC[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527946744 873791236 /nfs/dbraw/zinc/79/12/36/873791236.db2.gz IOSHWXQEQSOICW-FPOVZHCZSA-N 2 1 387.568 3.601 20 0 GHADMP CC[C@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527946744 873791240 /nfs/dbraw/zinc/79/12/40/873791240.db2.gz IOSHWXQEQSOICW-FPOVZHCZSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000541536807 873828511 /nfs/dbraw/zinc/82/85/11/873828511.db2.gz ORBURFRAGHYLEG-SFHVURJKSA-N 2 1 378.451 3.810 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000541536807 873828527 /nfs/dbraw/zinc/82/85/27/873828527.db2.gz ORBURFRAGHYLEG-SFHVURJKSA-N 2 1 378.451 3.810 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448710227 873835041 /nfs/dbraw/zinc/83/50/41/873835041.db2.gz SVNDZMMXYKJJRE-GOSISDBHSA-N 2 1 389.503 3.572 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448710227 873835055 /nfs/dbraw/zinc/83/50/55/873835055.db2.gz SVNDZMMXYKJJRE-GOSISDBHSA-N 2 1 389.503 3.572 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)[C@H](C)C1 ZINC000527993919 873860959 /nfs/dbraw/zinc/86/09/59/873860959.db2.gz FZWOIYSALXMUJO-IIBYNOLFSA-N 2 1 375.532 3.885 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CCCC1 ZINC000528012880 873884085 /nfs/dbraw/zinc/88/40/85/873884085.db2.gz BRFUIPHAWGQUTE-FDFHNCONSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769525544 874133629 /nfs/dbraw/zinc/13/36/29/874133629.db2.gz IKUBNIJORIVKLX-CRAIPNDOSA-N 2 1 387.515 3.756 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769525544 874133636 /nfs/dbraw/zinc/13/36/36/874133636.db2.gz IKUBNIJORIVKLX-CRAIPNDOSA-N 2 1 387.515 3.756 20 0 GHADMP CC1CC[NH+](CCC[C@H]([NH2+]Cc2cc(C(N)=O)co2)c2ccc(F)cc2)CC1 ZINC000550911125 882823644 /nfs/dbraw/zinc/82/36/44/882823644.db2.gz XCBPNJNHGGOCGX-NRFANRHFSA-N 2 1 387.499 3.861 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1NC(C)=O ZINC000449057509 874431822 /nfs/dbraw/zinc/43/18/22/874431822.db2.gz CPMWEZYDFVWRAT-GOSISDBHSA-N 2 1 395.547 3.839 20 0 GHADMP COCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1 ZINC000449086205 874438868 /nfs/dbraw/zinc/43/88/68/874438868.db2.gz BGPDQGADZSIBNK-FQEVSTJZSA-N 2 1 382.548 3.897 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000464794670 874525333 /nfs/dbraw/zinc/52/53/33/874525333.db2.gz TXGUQYSXJFQMDG-AVRDEDQJSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000464794670 874525338 /nfs/dbraw/zinc/52/53/38/874525338.db2.gz TXGUQYSXJFQMDG-AVRDEDQJSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000464794670 874525343 /nfs/dbraw/zinc/52/53/43/874525343.db2.gz TXGUQYSXJFQMDG-AVRDEDQJSA-N 2 1 385.577 3.617 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000464794671 874525547 /nfs/dbraw/zinc/52/55/47/874525547.db2.gz TXGUQYSXJFQMDG-GCJKJVERSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000464794671 874525555 /nfs/dbraw/zinc/52/55/55/874525555.db2.gz TXGUQYSXJFQMDG-GCJKJVERSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000464794671 874525557 /nfs/dbraw/zinc/52/55/57/874525557.db2.gz TXGUQYSXJFQMDG-GCJKJVERSA-N 2 1 385.577 3.617 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000770327201 874601882 /nfs/dbraw/zinc/60/18/82/874601882.db2.gz RFUVINDFGNNTBT-JTHBVZDNSA-N 2 1 397.563 3.900 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000449320802 874727920 /nfs/dbraw/zinc/72/79/20/874727920.db2.gz PUHVYMBIMUDCDA-XHCCPWGMSA-N 2 1 384.589 3.750 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1)CC1CC1 ZINC000775943648 874857554 /nfs/dbraw/zinc/85/75/54/874857554.db2.gz SLVSXJFVLKZXND-UHFFFAOYSA-N 2 1 383.580 3.930 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC4(C[C@@H]3F)OCCO4)cc2)C1 ZINC001199265569 874882254 /nfs/dbraw/zinc/88/22/54/874882254.db2.gz BWRHSWHHFVQXTO-JRGCBEDISA-N 2 1 376.516 3.642 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)c1 ZINC000528695767 874905861 /nfs/dbraw/zinc/90/58/61/874905861.db2.gz MSMFCQNRJBULDL-JOCHJYFZSA-N 2 1 380.536 3.780 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000449512001 874977333 /nfs/dbraw/zinc/97/73/33/874977333.db2.gz ZCIBXOCVLVCDFN-QPPBQGQZSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000449512001 874977339 /nfs/dbraw/zinc/97/73/39/874977339.db2.gz ZCIBXOCVLVCDFN-QPPBQGQZSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000449512001 874977345 /nfs/dbraw/zinc/97/73/45/874977345.db2.gz ZCIBXOCVLVCDFN-QPPBQGQZSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H](C)CCc3ccccc3)C2)CC1 ZINC000449512001 874977350 /nfs/dbraw/zinc/97/73/50/874977350.db2.gz ZCIBXOCVLVCDFN-QPPBQGQZSA-N 2 1 385.596 3.522 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)sc2C1 ZINC000449516730 874985789 /nfs/dbraw/zinc/98/57/89/874985789.db2.gz HLBVVGFOOWOPNM-AEFFLSMTSA-N 2 1 375.582 3.691 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)sc2C1 ZINC000449516730 874985794 /nfs/dbraw/zinc/98/57/94/874985794.db2.gz HLBVVGFOOWOPNM-AEFFLSMTSA-N 2 1 375.582 3.691 20 0 GHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)sc2C1 ZINC000449516730 874985800 /nfs/dbraw/zinc/98/58/00/874985800.db2.gz HLBVVGFOOWOPNM-AEFFLSMTSA-N 2 1 375.582 3.691 20 0 GHADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)sc2C1 ZINC000449516730 874985804 /nfs/dbraw/zinc/98/58/04/874985804.db2.gz HLBVVGFOOWOPNM-AEFFLSMTSA-N 2 1 375.582 3.691 20 0 GHADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000449657071 875191032 /nfs/dbraw/zinc/19/10/32/875191032.db2.gz NNNNODCJAJPVSK-DNVJHFABSA-N 2 1 396.579 3.677 20 0 GHADMP CC(C)[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)[NH+]1CCCCC1 ZINC000465200396 875312295 /nfs/dbraw/zinc/31/22/95/875312295.db2.gz PWIQVQJKNYGBJB-SIKLNZKXSA-N 2 1 387.568 3.856 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000528997212 875419136 /nfs/dbraw/zinc/41/91/36/875419136.db2.gz XANNUKYZUROXOL-UEVCKROQSA-N 2 1 383.580 3.547 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000528997212 875419138 /nfs/dbraw/zinc/41/91/38/875419138.db2.gz XANNUKYZUROXOL-UEVCKROQSA-N 2 1 383.580 3.547 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000528997212 875419142 /nfs/dbraw/zinc/41/91/42/875419142.db2.gz XANNUKYZUROXOL-UEVCKROQSA-N 2 1 383.580 3.547 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000542361515 875430390 /nfs/dbraw/zinc/43/03/90/875430390.db2.gz AJGRLQYTBLVGMQ-LEWJYISDSA-N 2 1 398.595 3.970 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001201490364 875718770 /nfs/dbraw/zinc/71/87/70/875718770.db2.gz CKBLUCVGZKBFNQ-TZIWHRDSSA-N 2 1 396.579 3.704 20 0 GHADMP CC(C)CC[NH+]1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001201617106 875792739 /nfs/dbraw/zinc/79/27/39/875792739.db2.gz HRHDMZADNLLLIE-OAQYLSRUSA-N 2 1 397.607 3.718 20 0 GHADMP c1ccc(CCC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001201662096 875821658 /nfs/dbraw/zinc/82/16/58/875821658.db2.gz FMRKUEQKWWIHDN-UHFFFAOYSA-N 2 1 379.548 3.629 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC001201955018 875953563 /nfs/dbraw/zinc/95/35/63/875953563.db2.gz YAQJTUHLFXMFQM-OAQYLSRUSA-N 2 1 396.922 3.587 20 0 GHADMP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000529527377 876289577 /nfs/dbraw/zinc/28/95/77/876289577.db2.gz DLFAMYYRXBMWPN-UHFFFAOYSA-N 2 1 386.458 3.791 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000173528374 876446247 /nfs/dbraw/zinc/44/62/47/876446247.db2.gz DEHNOVJSVNSAJU-UHFFFAOYSA-N 2 1 398.551 3.587 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000173528374 876446251 /nfs/dbraw/zinc/44/62/51/876446251.db2.gz DEHNOVJSVNSAJU-UHFFFAOYSA-N 2 1 398.551 3.587 20 0 GHADMP CN(CCC[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1)CC[NH+](C)C ZINC000564325974 883035271 /nfs/dbraw/zinc/03/52/71/883035271.db2.gz RLCVNKCGRBGPKN-UHFFFAOYSA-N 2 1 380.989 3.779 20 0 GHADMP CC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000529719556 876559254 /nfs/dbraw/zinc/55/92/54/876559254.db2.gz OKMJJVGLKRVNND-JOCHJYFZSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816428 876972099 /nfs/dbraw/zinc/97/20/99/876972099.db2.gz VOCGLFXACFNCLA-CTNGQTDRSA-N 2 1 392.547 3.779 20 0 GHADMP Ic1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000551552968 877422246 /nfs/dbraw/zinc/42/22/46/877422246.db2.gz SVBYROZYMNSJFE-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001183083412 912237278 /nfs/dbraw/zinc/23/72/78/912237278.db2.gz GHNMKWAIWRJUJY-OALUTQOASA-N 2 1 399.620 3.749 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001183083412 912237288 /nfs/dbraw/zinc/23/72/88/912237288.db2.gz GHNMKWAIWRJUJY-OALUTQOASA-N 2 1 399.620 3.749 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)[C@H]2CC[NH+](C)[C@H]2c2ccccc2)c1)C1CC1 ZINC001183092956 912277901 /nfs/dbraw/zinc/27/79/01/912277901.db2.gz CMPXKSUMWPICMC-GOTSBHOMSA-N 2 1 377.532 3.955 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1)C1CC1 ZINC001183092956 912277923 /nfs/dbraw/zinc/27/79/23/912277923.db2.gz CMPXKSUMWPICMC-GOTSBHOMSA-N 2 1 377.532 3.955 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1)C1CC1 ZINC001183092956 912277941 /nfs/dbraw/zinc/27/79/41/912277941.db2.gz CMPXKSUMWPICMC-GOTSBHOMSA-N 2 1 377.532 3.955 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000615607842 877914525 /nfs/dbraw/zinc/91/45/25/877914525.db2.gz MHFSWJQMICCPQA-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000615607842 877914542 /nfs/dbraw/zinc/91/45/42/877914542.db2.gz MHFSWJQMICCPQA-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000615607842 877914564 /nfs/dbraw/zinc/91/45/64/877914564.db2.gz MHFSWJQMICCPQA-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP C[C@@H](CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+](C)Cc1ccccc1 ZINC000788614296 878212114 /nfs/dbraw/zinc/21/21/14/878212114.db2.gz UNENYNOTEUXKOG-SFHVURJKSA-N 2 1 387.568 3.886 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCCC[NH+]1CCCC1)C1CCCCC1 ZINC000615895054 878236033 /nfs/dbraw/zinc/23/60/33/878236033.db2.gz SKPWQNYQTOUIDJ-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000788669924 878262893 /nfs/dbraw/zinc/26/28/93/878262893.db2.gz GPHNSQVRLKCHGL-NHCUHLMSSA-N 2 1 387.568 3.998 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)CC1 ZINC000176434790 878263055 /nfs/dbraw/zinc/26/30/55/878263055.db2.gz JVMRPSMVRDXGTB-UHFFFAOYSA-N 2 1 377.532 3.677 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000537766114 878263535 /nfs/dbraw/zinc/26/35/35/878263535.db2.gz AMECZZIMPZJXSU-SYNHAJSKSA-N 2 1 391.506 3.703 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000245644821 878271276 /nfs/dbraw/zinc/27/12/76/878271276.db2.gz YXZJNNHQLZXAAY-CVMOCDCISA-N 2 1 392.975 3.505 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000245644821 878271284 /nfs/dbraw/zinc/27/12/84/878271284.db2.gz YXZJNNHQLZXAAY-CVMOCDCISA-N 2 1 392.975 3.505 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(SC(F)F)cc1 ZINC000852754061 878578861 /nfs/dbraw/zinc/57/88/61/878578861.db2.gz NRYFEOMYEIWOJA-OAHLLOKOSA-N 2 1 383.508 3.651 20 0 GHADMP COC(=O)COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245781612 878590064 /nfs/dbraw/zinc/59/00/64/878590064.db2.gz YZDMNQGCNIOYMP-DKUWSORSSA-N 2 1 394.515 3.524 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000538043358 878750014 /nfs/dbraw/zinc/75/00/14/878750014.db2.gz LOSNTTCYBFLFCI-RTBURBONSA-N 2 1 394.987 3.863 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000538043357 878750814 /nfs/dbraw/zinc/75/08/14/878750814.db2.gz LOSNTTCYBFLFCI-OALUTQOASA-N 2 1 394.987 3.863 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)C1 ZINC000538098449 878836523 /nfs/dbraw/zinc/83/65/23/878836523.db2.gz FKNLCNKJVUPOGQ-QAPCUYQASA-N 2 1 384.351 3.622 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000177842673 878883251 /nfs/dbraw/zinc/88/32/51/878883251.db2.gz DEJRPBXOHATQJW-OALUTQOASA-N 2 1 392.613 3.504 20 0 GHADMP OCCC[C@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](CCCO)C3)c2)C1 ZINC000452119787 878966732 /nfs/dbraw/zinc/96/67/32/878966732.db2.gz LDMWASUQTNAHRM-OALUTQOASA-N 2 1 394.987 3.529 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000649329998 879028723 /nfs/dbraw/zinc/02/87/23/879028723.db2.gz NXENOOWDQHPQJX-UGKGYDQZSA-N 2 1 379.548 3.574 20 0 GHADMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+](C2CC2)C1 ZINC000452175308 879045723 /nfs/dbraw/zinc/04/57/23/879045723.db2.gz SLNNBEYNGGROHZ-HXUWFJFHSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+](C2CC2)C1 ZINC000452175308 879045733 /nfs/dbraw/zinc/04/57/33/879045733.db2.gz SLNNBEYNGGROHZ-HXUWFJFHSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+](C2CC2)C1 ZINC000452175308 879045742 /nfs/dbraw/zinc/04/57/42/879045742.db2.gz SLNNBEYNGGROHZ-HXUWFJFHSA-N 2 1 391.559 3.875 20 0 GHADMP CC[C@@H](Cc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531188591 879279719 /nfs/dbraw/zinc/27/97/19/879279719.db2.gz ZTCIEWUUTDYKKY-QHCPKHFHSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000246288065 879343399 /nfs/dbraw/zinc/34/33/99/879343399.db2.gz CWUZMEBWILVMIX-HKBOAZHASA-N 2 1 383.580 3.546 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000246288065 879343417 /nfs/dbraw/zinc/34/34/17/879343417.db2.gz CWUZMEBWILVMIX-HKBOAZHASA-N 2 1 383.580 3.546 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000246288065 879343435 /nfs/dbraw/zinc/34/34/35/879343435.db2.gz CWUZMEBWILVMIX-HKBOAZHASA-N 2 1 383.580 3.546 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)CC2 ZINC000246313913 879375898 /nfs/dbraw/zinc/37/58/98/879375898.db2.gz NSTGIIAQWIUANB-TYPHKJRUSA-N 2 1 386.584 3.773 20 0 GHADMP CC1CC[NH+](CCN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000465394875 879505860 /nfs/dbraw/zinc/50/58/60/879505860.db2.gz MNUJLVBKLDZFOF-UHFFFAOYSA-N 2 1 383.502 3.945 20 0 GHADMP COc1ccccc1-c1ccnc(C2CC[NH+](CCCc3c[nH+]cn3C)CC2)n1 ZINC000854097832 879527200 /nfs/dbraw/zinc/52/72/00/879527200.db2.gz VDXYMBGKYFTSBW-UHFFFAOYSA-N 2 1 391.519 3.698 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000237527904 879550622 /nfs/dbraw/zinc/55/06/22/879550622.db2.gz YNLQBRABEOHKLM-QGZVFWFLSA-N 2 1 377.536 3.798 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000246494145 879619010 /nfs/dbraw/zinc/61/90/10/879619010.db2.gz SDUUGXMAGKNLFV-VAMGGRTRSA-N 2 1 378.944 3.911 20 0 GHADMP COC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000493917144 879715980 /nfs/dbraw/zinc/71/59/80/879715980.db2.gz PHRSVCLHZMLKSV-BVSLBCMMSA-N 2 1 388.939 3.500 20 0 GHADMP COC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000493917144 879715992 /nfs/dbraw/zinc/71/59/92/879715992.db2.gz PHRSVCLHZMLKSV-BVSLBCMMSA-N 2 1 388.939 3.500 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnc2ccsc2c1 ZINC000531703074 880330647 /nfs/dbraw/zinc/33/06/47/880330647.db2.gz FHCIZCIBTAULRS-LAUBAEHRSA-N 2 1 380.561 3.936 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000184743629 880371766 /nfs/dbraw/zinc/37/17/66/880371766.db2.gz GZULZJUELVEQLD-HUUCEWRRSA-N 2 1 380.458 3.685 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ncc(-c3ccccc3)n2C)[C@H](C)C1 ZINC000453109278 880477444 /nfs/dbraw/zinc/47/74/44/880477444.db2.gz AGMYBKURYJCBKS-DYXWJJEUSA-N 2 1 384.568 3.875 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453110929 880480479 /nfs/dbraw/zinc/48/04/79/880480479.db2.gz PAZKJCBOYSDPCX-BELIEFIBSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453110929 880480485 /nfs/dbraw/zinc/48/04/85/880480485.db2.gz PAZKJCBOYSDPCX-BELIEFIBSA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453110929 880480489 /nfs/dbraw/zinc/48/04/89/880480489.db2.gz PAZKJCBOYSDPCX-BELIEFIBSA-N 3 1 397.607 3.520 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000453227455 880649443 /nfs/dbraw/zinc/64/94/43/880649443.db2.gz FBSYJMAWJKVAHP-MWXLCCTBSA-N 2 1 398.572 3.590 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12)C1CC[NH+](C)CC1 ZINC000186452150 880888833 /nfs/dbraw/zinc/88/88/33/880888833.db2.gz IRUQMNOFKMPMKI-RUZDIDTESA-N 2 1 391.559 3.848 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1OC ZINC000532016121 880931129 /nfs/dbraw/zinc/93/11/29/880931129.db2.gz SQBGFQYBOSGSTL-NHCUHLMSSA-N 2 1 390.568 3.732 20 0 GHADMP Cc1cc(Br)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1 ZINC000453564941 881013366 /nfs/dbraw/zinc/01/33/66/881013366.db2.gz IHWVLUJBGPOJHI-INIZCTEOSA-N 2 1 395.366 3.675 20 0 GHADMP Cc1cc(Br)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000453564941 881013378 /nfs/dbraw/zinc/01/33/78/881013378.db2.gz IHWVLUJBGPOJHI-INIZCTEOSA-N 2 1 395.366 3.675 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000542478763 881101291 /nfs/dbraw/zinc/10/12/91/881101291.db2.gz UAVFJSUGXPVGIP-HSZRJFAPSA-N 2 1 384.543 3.626 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2cccnc2)c2ccc(F)c(C)c2)CC1 ZINC000542478773 881104260 /nfs/dbraw/zinc/10/42/60/881104260.db2.gz UAVFJSUGXPVGIP-QHCPKHFHSA-N 2 1 384.543 3.626 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)[C@H](C)C1 ZINC000119817955 881168267 /nfs/dbraw/zinc/16/82/67/881168267.db2.gz FKMHMPUCDLTWJZ-WIYYLYMNSA-N 2 1 375.557 3.508 20 0 GHADMP COCCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499143558 881268923 /nfs/dbraw/zinc/26/89/23/881268923.db2.gz TYRLYFGLEMKKRR-WBDAEOGXSA-N 2 1 380.532 3.997 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001170300767 881321342 /nfs/dbraw/zinc/32/13/42/881321342.db2.gz VURPMROYDIHXJX-UHFFFAOYSA-N 2 1 387.612 3.851 20 0 GHADMP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000120157730 881338626 /nfs/dbraw/zinc/33/86/26/881338626.db2.gz YFTOIZXYUBNFQU-HXUWFJFHSA-N 2 1 399.966 3.944 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000263216317 883207838 /nfs/dbraw/zinc/20/78/38/883207838.db2.gz KYVNUDIHBJLIDX-FQEVSTJZSA-N 2 1 377.960 3.591 20 0 GHADMP Fc1cc(Cl)cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211910309 883231877 /nfs/dbraw/zinc/23/18/77/883231877.db2.gz BBNZMTGVPZGKHC-GOSISDBHSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1cc(Cl)cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211910309 883231894 /nfs/dbraw/zinc/23/18/94/883231894.db2.gz BBNZMTGVPZGKHC-GOSISDBHSA-N 2 1 398.869 3.718 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000135393853 883332840 /nfs/dbraw/zinc/33/28/40/883332840.db2.gz VJPVWOHJXSYKML-MGPUTAFESA-N 2 1 397.485 3.689 20 0 GHADMP Fc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1Cl ZINC001211910719 883411080 /nfs/dbraw/zinc/41/10/80/883411080.db2.gz JQGQJLZLZHLCBP-MRXNPFEDSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1Cl ZINC001211910719 883411086 /nfs/dbraw/zinc/41/10/86/883411086.db2.gz JQGQJLZLZHLCBP-MRXNPFEDSA-N 2 1 398.869 3.718 20 0 GHADMP O=C(C[N@H+](Cc1cccs1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193681334 883424888 /nfs/dbraw/zinc/42/48/88/883424888.db2.gz CSPGMTFLEPVUQT-UHFFFAOYSA-N 2 1 383.561 3.625 20 0 GHADMP O=C(C[N@@H+](Cc1cccs1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193681334 883424899 /nfs/dbraw/zinc/42/48/99/883424899.db2.gz CSPGMTFLEPVUQT-UHFFFAOYSA-N 2 1 383.561 3.625 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCCCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000551177152 883430100 /nfs/dbraw/zinc/43/01/00/883430100.db2.gz SHKZXMPJQSWWNB-OALUTQOASA-N 2 1 391.357 3.851 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000551177152 883430106 /nfs/dbraw/zinc/43/01/06/883430106.db2.gz SHKZXMPJQSWWNB-OALUTQOASA-N 2 1 391.357 3.851 20 0 GHADMP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476981184 883499331 /nfs/dbraw/zinc/49/93/31/883499331.db2.gz GXHMEWURCLABEF-LEWJYISDSA-N 2 1 397.607 3.936 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000537698154 883508597 /nfs/dbraw/zinc/50/85/97/883508597.db2.gz RPRXJHYKUADXDU-LXGCGDOSSA-N 2 1 376.447 3.908 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000537698154 883508601 /nfs/dbraw/zinc/50/86/01/883508601.db2.gz RPRXJHYKUADXDU-LXGCGDOSSA-N 2 1 376.447 3.908 20 0 GHADMP CC(C)(C)OC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000551263638 883572369 /nfs/dbraw/zinc/57/23/69/883572369.db2.gz CTZARIIAHARYIV-ITAUSPCMSA-N 2 1 386.580 3.851 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OCc1ccncc1 ZINC000194062730 883655282 /nfs/dbraw/zinc/65/52/82/883655282.db2.gz ORVUKDSMDQIFLQ-UHFFFAOYSA-N 2 1 381.520 3.633 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)c1 ZINC000194794917 883941327 /nfs/dbraw/zinc/94/13/27/883941327.db2.gz STPPISHWVMDJON-NRFANRHFSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000194794917 883941334 /nfs/dbraw/zinc/94/13/34/883941334.db2.gz STPPISHWVMDJON-NRFANRHFSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000194794917 883941348 /nfs/dbraw/zinc/94/13/48/883941348.db2.gz STPPISHWVMDJON-NRFANRHFSA-N 2 1 377.532 3.533 20 0 GHADMP c1cc2cc(-c3noc([C@H]4C[N@@H+](Cc5ccccc5)CC45C[NH2+]C5)n3)ccc2o1 ZINC001211911965 883988719 /nfs/dbraw/zinc/98/87/19/883988719.db2.gz WFROIKHSCCFXPV-LJQANCHMSA-N 2 1 386.455 3.672 20 0 GHADMP c1cc2cc(-c3noc([C@H]4C[N@H+](Cc5ccccc5)CC45C[NH2+]C5)n3)ccc2o1 ZINC001211911965 883988726 /nfs/dbraw/zinc/98/87/26/883988726.db2.gz WFROIKHSCCFXPV-LJQANCHMSA-N 2 1 386.455 3.672 20 0 GHADMP Cc1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)c2cc[nH]c21 ZINC001170495626 884271767 /nfs/dbraw/zinc/27/17/67/884271767.db2.gz ASTVOXXEFURNDS-WWDZGPRUSA-N 2 1 376.504 3.848 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 ZINC000860039086 884281658 /nfs/dbraw/zinc/28/16/58/884281658.db2.gz YQTKFVCAJGYSEK-MUGJNUQGSA-N 2 1 388.556 3.549 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 ZINC000860039086 884281673 /nfs/dbraw/zinc/28/16/73/884281673.db2.gz YQTKFVCAJGYSEK-MUGJNUQGSA-N 2 1 388.556 3.549 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000130390049 884621857 /nfs/dbraw/zinc/62/18/57/884621857.db2.gz XLAVMNHPXLVLLP-ZDUSSCGKSA-N 2 1 383.323 3.698 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000130390049 884621869 /nfs/dbraw/zinc/62/18/69/884621869.db2.gz XLAVMNHPXLVLLP-ZDUSSCGKSA-N 2 1 383.323 3.698 20 0 GHADMP Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(F)cc1F ZINC001211914449 884837477 /nfs/dbraw/zinc/83/74/77/884837477.db2.gz AXUWRKDNSGHBHO-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(F)cc1F ZINC001211914449 884837484 /nfs/dbraw/zinc/83/74/84/884837484.db2.gz AXUWRKDNSGHBHO-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000237742771 884839374 /nfs/dbraw/zinc/83/93/74/884839374.db2.gz YNLQBRABEOHKLM-KRWDZBQOSA-N 2 1 377.536 3.798 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cc(OC)ccc2c1 ZINC000806616025 884856382 /nfs/dbraw/zinc/85/63/82/884856382.db2.gz YYQCDMUWQTYPJC-NRFANRHFSA-N 2 1 398.551 3.728 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000286735240 912872942 /nfs/dbraw/zinc/87/29/42/912872942.db2.gz RTPXDSOKKWFZAY-UHFFFAOYSA-N 2 1 383.492 3.682 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000498617713 885082834 /nfs/dbraw/zinc/08/28/34/885082834.db2.gz PFNZHVKJNLNTRU-UHFFFAOYSA-N 2 1 390.572 3.540 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766288 885307603 /nfs/dbraw/zinc/30/76/03/885307603.db2.gz CNNWFTZTLSXEGS-YADHBBJMSA-N 2 1 394.003 3.956 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000072015545 885430780 /nfs/dbraw/zinc/43/07/80/885430780.db2.gz CFWWRLKMIMRFGF-SFTDATJTSA-N 2 1 385.577 3.912 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CCCO2 ZINC000532442112 885454941 /nfs/dbraw/zinc/45/49/41/885454941.db2.gz LFSZWLFNMVHCEZ-WOJBJXKFSA-N 2 1 385.577 3.849 20 0 GHADMP CC(C[NH+]1CC[C@@H](Nc2ccccc2)C1)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000226697106 885552401 /nfs/dbraw/zinc/55/24/01/885552401.db2.gz WWBYRTMQRYVCQX-DNQXCXABSA-N 2 1 378.564 3.995 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000550626868 885584751 /nfs/dbraw/zinc/58/47/51/885584751.db2.gz CPJXJGGSQCKFBF-DHIUTWEWSA-N 2 1 377.532 3.716 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000550626868 885584771 /nfs/dbraw/zinc/58/47/71/885584771.db2.gz CPJXJGGSQCKFBF-DHIUTWEWSA-N 2 1 377.532 3.716 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3c[nH+]c4c3CCCC4)cc2)C1 ZINC000537583799 885607791 /nfs/dbraw/zinc/60/77/91/885607791.db2.gz OPBKJDOMYLUNBQ-OALUTQOASA-N 2 1 394.563 3.556 20 0 GHADMP COC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC(c2ccccc2)CC1 ZINC000655769401 885653285 /nfs/dbraw/zinc/65/32/85/885653285.db2.gz ZCLRVZGAFWSZJT-SHSGKGFPSA-N 2 1 386.580 3.962 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000108428155 885729301 /nfs/dbraw/zinc/72/93/01/885729301.db2.gz PXSONTNGOHAYBJ-INIZCTEOSA-N 2 1 391.357 3.683 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000108428155 885729309 /nfs/dbraw/zinc/72/93/09/885729309.db2.gz PXSONTNGOHAYBJ-INIZCTEOSA-N 2 1 391.357 3.683 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000532480700 885801814 /nfs/dbraw/zinc/80/18/14/885801814.db2.gz XTUFBIIEPKPUBN-HSZRJFAPSA-N 2 1 395.547 3.817 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC001184044436 912982183 /nfs/dbraw/zinc/98/21/83/912982183.db2.gz AAPLAMLGZGQBIZ-KXBFYZLASA-N 2 1 381.358 3.786 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCCc1cccs1 ZINC000495504383 885989195 /nfs/dbraw/zinc/98/91/95/885989195.db2.gz UMSWHZHRALENFS-OALUTQOASA-N 2 1 399.604 3.817 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCCc1cccs1 ZINC000495504382 885989673 /nfs/dbraw/zinc/98/96/73/885989673.db2.gz UMSWHZHRALENFS-MOPGFXCFSA-N 2 1 399.604 3.817 20 0 GHADMP C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000670174909 885996060 /nfs/dbraw/zinc/99/60/60/885996060.db2.gz BVKZGHQJRDXNKD-KRWDZBQOSA-N 2 1 392.613 3.647 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000498923240 886112068 /nfs/dbraw/zinc/11/20/68/886112068.db2.gz IOUTWJUCWHBRTP-OAQYLSRUSA-N 2 1 383.536 3.792 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000498923240 886112073 /nfs/dbraw/zinc/11/20/73/886112073.db2.gz IOUTWJUCWHBRTP-OAQYLSRUSA-N 2 1 383.536 3.792 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000498923240 886112081 /nfs/dbraw/zinc/11/20/81/886112081.db2.gz IOUTWJUCWHBRTP-OAQYLSRUSA-N 2 1 383.536 3.792 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000498923240 886112089 /nfs/dbraw/zinc/11/20/89/886112089.db2.gz IOUTWJUCWHBRTP-OAQYLSRUSA-N 2 1 383.536 3.792 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152468 913032737 /nfs/dbraw/zinc/03/27/37/913032737.db2.gz MPJQCYZERFVBKN-HJOGWXRNSA-N 2 1 391.559 3.850 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152468 913032748 /nfs/dbraw/zinc/03/27/48/913032748.db2.gz MPJQCYZERFVBKN-HJOGWXRNSA-N 2 1 391.559 3.850 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152468 913032767 /nfs/dbraw/zinc/03/27/67/913032767.db2.gz MPJQCYZERFVBKN-HJOGWXRNSA-N 2 1 391.559 3.850 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000118942257 886354329 /nfs/dbraw/zinc/35/43/29/886354329.db2.gz IXNVBWKZBWHOJT-UGKGYDQZSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000118942257 886354344 /nfs/dbraw/zinc/35/43/44/886354344.db2.gz IXNVBWKZBWHOJT-UGKGYDQZSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000118942257 886354360 /nfs/dbraw/zinc/35/43/60/886354360.db2.gz IXNVBWKZBWHOJT-UGKGYDQZSA-N 2 1 388.600 3.790 20 0 GHADMP CN1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556886794 886459590 /nfs/dbraw/zinc/45/95/90/886459590.db2.gz WCGSHFPOZRDGGS-ILACCBGSSA-N 2 1 379.951 3.934 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000119645311 886819747 /nfs/dbraw/zinc/81/97/47/886819747.db2.gz UTYWCYSVXJTLKS-QFIPXVFZSA-N 2 1 379.548 3.571 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000532645908 886859689 /nfs/dbraw/zinc/85/96/89/886859689.db2.gz ORUAURFUHISPQA-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000237698076 886979266 /nfs/dbraw/zinc/97/92/66/886979266.db2.gz GTHVFKSCMLJZIF-UHFFFAOYSA-N 2 1 391.357 3.827 20 0 GHADMP O[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cc(F)ccc1F ZINC000762928023 887112462 /nfs/dbraw/zinc/11/24/62/887112462.db2.gz ZKSIWLYMVQVZOD-QFIPXVFZSA-N 2 1 386.486 3.986 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](CC3CCN(C(=O)OCc4ccccc4)CC3)C[C@@H]2C1 ZINC001184303624 913115384 /nfs/dbraw/zinc/11/53/84/913115384.db2.gz QVMUQMBJNZPGOX-XPWALMASSA-N 2 1 399.579 3.697 20 0 GHADMP CCCOc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1C ZINC000863528890 887194161 /nfs/dbraw/zinc/19/41/61/887194161.db2.gz DBMLWBHWTRSFIB-UHFFFAOYSA-N 2 1 387.568 3.919 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000666701272 887665657 /nfs/dbraw/zinc/66/56/57/887665657.db2.gz SDDDJCMPAFNNRB-LBPRGKRZSA-N 2 1 376.879 3.671 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000666701272 887665665 /nfs/dbraw/zinc/66/56/65/887665665.db2.gz SDDDJCMPAFNNRB-LBPRGKRZSA-N 2 1 376.879 3.671 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ncccc2N(C)C)cc1C[NH+]1CCCCC1 ZINC000810248447 888349739 /nfs/dbraw/zinc/34/97/39/888349739.db2.gz ZETIWVNJKNPMGT-GOSISDBHSA-N 2 1 382.552 3.993 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000810426791 888494652 /nfs/dbraw/zinc/49/46/52/888494652.db2.gz YAVRXEFGEVUSEY-KKLQWCBXSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000810426791 888494662 /nfs/dbraw/zinc/49/46/62/888494662.db2.gz YAVRXEFGEVUSEY-KKLQWCBXSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000810426791 888494667 /nfs/dbraw/zinc/49/46/67/888494667.db2.gz YAVRXEFGEVUSEY-KKLQWCBXSA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)([NH3+])CN(c1ccc2c(c1)[nH]c1cc[nH+]cc12)S(=O)(=O)c1ccccc1 ZINC001170605394 888504738 /nfs/dbraw/zinc/50/47/38/888504738.db2.gz BMPKVXYVBRKIBS-UHFFFAOYSA-N 2 1 394.500 3.649 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000509670774 888757273 /nfs/dbraw/zinc/75/72/73/888757273.db2.gz ACIOGDRXCULBNL-HNNXBMFYSA-N 2 1 396.329 3.523 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000509670774 888757280 /nfs/dbraw/zinc/75/72/80/888757280.db2.gz ACIOGDRXCULBNL-HNNXBMFYSA-N 2 1 396.329 3.523 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123363933 888860955 /nfs/dbraw/zinc/86/09/55/888860955.db2.gz DXIBLAPDEOHCEC-GGAORHGYSA-N 2 1 398.595 3.687 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000532787003 888946978 /nfs/dbraw/zinc/94/69/78/888946978.db2.gz ZCWFCLIXESMVCA-UHFFFAOYSA-N 2 1 392.632 3.791 20 0 GHADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000532921601 889334855 /nfs/dbraw/zinc/33/48/55/889334855.db2.gz BZVGGZYNQQSCNR-UHFFFAOYSA-N 2 1 398.576 3.586 20 0 GHADMP c1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000532921930 889338010 /nfs/dbraw/zinc/33/80/10/889338010.db2.gz VADWOCBIYNVHJV-SZPZYZBQSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000532921930 889338019 /nfs/dbraw/zinc/33/80/19/889338019.db2.gz VADWOCBIYNVHJV-SZPZYZBQSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000532921930 889338029 /nfs/dbraw/zinc/33/80/29/889338029.db2.gz VADWOCBIYNVHJV-SZPZYZBQSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185232 889341531 /nfs/dbraw/zinc/34/15/31/889341531.db2.gz QBHWKBLGQTVUMV-BULFRSBZSA-N 2 1 378.520 3.630 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868186457 889342788 /nfs/dbraw/zinc/34/27/88/889342788.db2.gz LMZYLBIONJNBGW-XZOQPEGZSA-N 2 1 392.547 3.877 20 0 GHADMP CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532966971 889402616 /nfs/dbraw/zinc/40/26/16/889402616.db2.gz DEYNUJGGYHFMRF-HXUWFJFHSA-N 2 1 375.582 3.829 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530493 913342473 /nfs/dbraw/zinc/34/24/73/913342473.db2.gz AMYQKCUDUSEDDD-FQEVSTJZSA-N 2 1 383.511 3.965 20 0 GHADMP CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532975705 889481824 /nfs/dbraw/zinc/48/18/24/889481824.db2.gz PFEPQLKCXFSGSZ-HXUWFJFHSA-N 2 1 375.582 3.684 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124562355 889674871 /nfs/dbraw/zinc/67/48/71/889674871.db2.gz ZNZGMGWJGKOHNP-LBPRGKRZSA-N 2 1 376.136 3.643 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000811515291 889712256 /nfs/dbraw/zinc/71/22/56/889712256.db2.gz XHGQCDWBZGKHSI-GOSISDBHSA-N 2 1 399.501 3.535 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000811515291 889712260 /nfs/dbraw/zinc/71/22/60/889712260.db2.gz XHGQCDWBZGKHSI-GOSISDBHSA-N 2 1 399.501 3.535 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000811515291 889712262 /nfs/dbraw/zinc/71/22/62/889712262.db2.gz XHGQCDWBZGKHSI-GOSISDBHSA-N 2 1 399.501 3.535 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000125125552 889881897 /nfs/dbraw/zinc/88/18/97/889881897.db2.gz PBOOLHFKVQJOFC-HZPDHXFCSA-N 2 1 391.357 3.849 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000916838179 890275391 /nfs/dbraw/zinc/27/53/91/890275391.db2.gz OCZSNBDOGVRZTN-YPAWHYETSA-N 2 1 399.579 3.796 20 0 GHADMP Cc1c(C(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001133257092 890560824 /nfs/dbraw/zinc/56/08/24/890560824.db2.gz JVRGZMHAETTXIE-NRFANRHFSA-N 2 1 376.504 3.769 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890308 890567947 /nfs/dbraw/zinc/56/79/47/890567947.db2.gz LFBMNKCMZSGSCS-ZAWLATJESA-N 2 1 397.485 3.722 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000812834151 891020046 /nfs/dbraw/zinc/02/00/46/891020046.db2.gz LZDYSODVQCBDLA-UHFFFAOYSA-N 2 1 381.520 3.704 20 0 GHADMP C[C@@H]([NH2+]Cc1nc(-c2ccncc2)cs1)c1cccc(OCC[NH+](C)C)c1 ZINC000872122499 891168814 /nfs/dbraw/zinc/16/88/14/891168814.db2.gz NBTVFZBVSAECCP-MRXNPFEDSA-N 2 1 382.533 3.996 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C(F)(F)F ZINC000872147653 891181979 /nfs/dbraw/zinc/18/19/79/891181979.db2.gz CUHUUMBBQOICKM-FUHWJXTLSA-N 2 1 391.437 3.751 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1)C1CC1 ZINC000872156065 891184050 /nfs/dbraw/zinc/18/40/50/891184050.db2.gz DHYDKRKAWHNZRU-OXQOHEQNSA-N 2 1 390.597 3.778 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1)C1CC1 ZINC000872156065 891184056 /nfs/dbraw/zinc/18/40/56/891184056.db2.gz DHYDKRKAWHNZRU-OXQOHEQNSA-N 2 1 390.597 3.778 20 0 GHADMP Cc1cccc(Cc2noc(CC3([NH3+])CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000872172502 891197600 /nfs/dbraw/zinc/19/76/00/891197600.db2.gz AEUMWHGVHXHYFG-UHFFFAOYSA-N 2 1 376.504 3.505 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2ccccc2)CC1 ZINC000497370358 891294493 /nfs/dbraw/zinc/29/44/93/891294493.db2.gz NTYICSXKLZJSLA-YTFSRNRJSA-N 2 1 398.595 3.585 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(OCc2ccccc2)c1 ZINC000127947404 891330749 /nfs/dbraw/zinc/33/07/49/891330749.db2.gz ZMIZCTZPRCJOQV-KNQAVFIVSA-N 2 1 395.547 3.504 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370331 891553465 /nfs/dbraw/zinc/55/34/65/891553465.db2.gz FNLLRNWKGIZRRN-UHFFFAOYSA-N 2 1 392.543 3.890 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)c2)cc1 ZINC000237464742 892050556 /nfs/dbraw/zinc/05/05/56/892050556.db2.gz VBTVNUBSHCLQHG-QGZVFWFLSA-N 2 1 392.503 3.878 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCSCCOc2cccc(Br)c2)CC[N@H+]1C ZINC000162154992 892076366 /nfs/dbraw/zinc/07/63/66/892076366.db2.gz QXHSEAVUDQRRQQ-GDBMZVCRSA-N 2 1 387.387 3.633 20 0 GHADMP Nc1cc[nH+]c2cc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)ccc12 ZINC001170719206 892174085 /nfs/dbraw/zinc/17/40/85/892174085.db2.gz SCAKYBRHYUEOGA-KESTWPANSA-N 2 1 379.552 3.568 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000874832803 892343242 /nfs/dbraw/zinc/34/32/42/892343242.db2.gz HEMUHOFWHJTDGC-XZOQPEGZSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874832803 892343264 /nfs/dbraw/zinc/34/32/64/892343264.db2.gz HEMUHOFWHJTDGC-XZOQPEGZSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874832803 892343281 /nfs/dbraw/zinc/34/32/81/892343281.db2.gz HEMUHOFWHJTDGC-XZOQPEGZSA-N 2 1 377.532 3.627 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000874832799 892344315 /nfs/dbraw/zinc/34/43/15/892344315.db2.gz HEMUHOFWHJTDGC-DHIUTWEWSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874832799 892344327 /nfs/dbraw/zinc/34/43/27/892344327.db2.gz HEMUHOFWHJTDGC-DHIUTWEWSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000874832799 892344343 /nfs/dbraw/zinc/34/43/43/892344343.db2.gz HEMUHOFWHJTDGC-DHIUTWEWSA-N 2 1 377.532 3.627 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[N@H+]1Cc1ccccc1 ZINC000875352150 892562183 /nfs/dbraw/zinc/56/21/83/892562183.db2.gz DJHQUAJNNWJNFS-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997272 892899177 /nfs/dbraw/zinc/89/91/77/892899177.db2.gz NQGOFHIIPBJETC-RTBURBONSA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997272 892899194 /nfs/dbraw/zinc/89/91/94/892899194.db2.gz NQGOFHIIPBJETC-RTBURBONSA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997272 892899210 /nfs/dbraw/zinc/89/92/10/892899210.db2.gz NQGOFHIIPBJETC-RTBURBONSA-N 2 1 397.485 3.660 20 0 GHADMP C[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720812 892973922 /nfs/dbraw/zinc/97/39/22/892973922.db2.gz SFOHGACZMQWOAQ-IEBWSBKVSA-N 2 1 380.511 3.755 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000814640272 893030173 /nfs/dbraw/zinc/03/01/73/893030173.db2.gz ZGVRWAZNSGKBMB-UHFFFAOYSA-N 2 1 399.579 3.841 20 0 GHADMP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000876757977 893316445 /nfs/dbraw/zinc/31/64/45/893316445.db2.gz GZGPLQWYVNWKMK-DRDHIDPGSA-N 2 1 396.362 3.630 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533891572 893416957 /nfs/dbraw/zinc/41/69/57/893416957.db2.gz DAYCCDJPKJMWDF-GOTSBHOMSA-N 2 1 394.563 3.773 20 0 GHADMP c1sc(N2CCCC2)nc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000129461609 893446818 /nfs/dbraw/zinc/44/68/18/893446818.db2.gz YQEMJINQKWDBPB-UHFFFAOYSA-N 2 1 384.593 3.583 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc4c3OCCCO4)CC2)C[C@H](C)O1 ZINC000536663784 893478220 /nfs/dbraw/zinc/47/82/20/893478220.db2.gz VPQDEUDMVJNQKD-KDURUIRLSA-N 2 1 388.552 3.559 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccsc1C(F)F ZINC000934280562 893521322 /nfs/dbraw/zinc/52/13/22/893521322.db2.gz QOSJDRGNXGXWDR-UHFFFAOYSA-N 2 1 399.551 3.954 20 0 GHADMP Clc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000815149584 893521769 /nfs/dbraw/zinc/52/17/69/893521769.db2.gz RWWJTAWUOFEJSY-FQEVSTJZSA-N 2 1 385.939 3.753 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@@H](Cc2nccs2)C1)[NH+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335061 893553479 /nfs/dbraw/zinc/55/34/79/893553479.db2.gz GIJZYMSSLCXWBR-SQNIBIBYSA-N 2 1 390.622 3.807 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](Cc2nccs2)C1)[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335061 893553490 /nfs/dbraw/zinc/55/34/90/893553490.db2.gz GIJZYMSSLCXWBR-SQNIBIBYSA-N 2 1 390.622 3.807 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](Cc2nccs2)C1)[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335061 893553510 /nfs/dbraw/zinc/55/35/10/893553510.db2.gz GIJZYMSSLCXWBR-SQNIBIBYSA-N 2 1 390.622 3.807 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000536697550 893563649 /nfs/dbraw/zinc/56/36/49/893563649.db2.gz NVHWQAMZPYFWHP-UHFFFAOYSA-N 2 1 378.605 3.825 20 0 GHADMP C[C@H]1CN(c2ccccc2C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000459480148 893594072 /nfs/dbraw/zinc/59/40/72/893594072.db2.gz JGEAIIWMTGLWOK-FQEVSTJZSA-N 2 1 394.563 3.655 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C[C@@H]([NH3+])C4CCCC4)C3)CC2)[nH+]c1 ZINC000877451060 893614737 /nfs/dbraw/zinc/61/47/37/893614737.db2.gz IYCCTJPOCSAXQD-DENIHFKCSA-N 2 1 398.595 3.753 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000563499177 893829681 /nfs/dbraw/zinc/82/96/81/893829681.db2.gz PAUFEDAPAMSERT-QUCCMNQESA-N 2 1 392.547 3.755 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000536840270 893912667 /nfs/dbraw/zinc/91/26/67/893912667.db2.gz RORVYVLXBDONBY-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000536840270 893912681 /nfs/dbraw/zinc/91/26/81/893912681.db2.gz RORVYVLXBDONBY-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cnn1-c1cc(C)ccc1C ZINC000536845902 893924734 /nfs/dbraw/zinc/92/47/34/893924734.db2.gz PAGVDXRJZGXECA-JKFKMHIGSA-N 2 1 396.579 3.826 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878020187 893953098 /nfs/dbraw/zinc/95/30/98/893953098.db2.gz IGXBMOZEMYGBOS-JSRBNTPPSA-N 2 1 385.596 3.787 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878020187 893953106 /nfs/dbraw/zinc/95/31/06/893953106.db2.gz IGXBMOZEMYGBOS-JSRBNTPPSA-N 2 1 385.596 3.787 20 0 GHADMP C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459693059 894081348 /nfs/dbraw/zinc/08/13/48/894081348.db2.gz KJVBMCFBAQVYCC-WRGRXTPVSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459693059 894081360 /nfs/dbraw/zinc/08/13/60/894081360.db2.gz KJVBMCFBAQVYCC-WRGRXTPVSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459693059 894081377 /nfs/dbraw/zinc/08/13/77/894081377.db2.gz KJVBMCFBAQVYCC-WRGRXTPVSA-N 2 1 386.561 3.821 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000459735745 894128494 /nfs/dbraw/zinc/12/84/94/894128494.db2.gz PNSSNYIFHQPDGI-LJQANCHMSA-N 2 1 375.520 3.756 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CCC4(CCOCC4)O2)CC3)cc1 ZINC000878322909 894192823 /nfs/dbraw/zinc/19/28/23/894192823.db2.gz RJWLJNQILFXARZ-QFIPXVFZSA-N 2 1 384.564 3.703 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000537096862 894305749 /nfs/dbraw/zinc/30/57/49/894305749.db2.gz PFIMILZGLJKPBP-QGZVFWFLSA-N 2 1 377.492 3.970 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@H](C)C3)cc2)[C@H](C)C1 ZINC000537096283 894308052 /nfs/dbraw/zinc/30/80/52/894308052.db2.gz OKLZNCVOSDEWPQ-WHLIWEHUSA-N 3 1 387.612 3.516 20 0 GHADMP CC[NH+]1CC[C@H]([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)[C@H](C)C1 ZINC000537096283 894308063 /nfs/dbraw/zinc/30/80/63/894308063.db2.gz OKLZNCVOSDEWPQ-WHLIWEHUSA-N 3 1 387.612 3.516 20 0 GHADMP CC[NH+]1CC[C@H]([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)[C@H](C)C1 ZINC000537096283 894308077 /nfs/dbraw/zinc/30/80/77/894308077.db2.gz OKLZNCVOSDEWPQ-WHLIWEHUSA-N 3 1 387.612 3.516 20 0 GHADMP CCN1CC[C@H]([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)[C@H](C)C1 ZINC000537096283 894308089 /nfs/dbraw/zinc/30/80/89/894308089.db2.gz OKLZNCVOSDEWPQ-WHLIWEHUSA-N 2 1 387.612 3.516 20 0 GHADMP CCN1CC[C@H]([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)[C@H](C)C1 ZINC000537096283 894308102 /nfs/dbraw/zinc/30/81/02/894308102.db2.gz OKLZNCVOSDEWPQ-WHLIWEHUSA-N 2 1 387.612 3.516 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)C[N@H+]2C1 ZINC001135296055 894331071 /nfs/dbraw/zinc/33/10/71/894331071.db2.gz LFNCNQDLXYFASS-ZGXWSNOMSA-N 2 1 389.609 3.758 20 0 GHADMP CCC[N@H+](Cc1ccc2c(c1)ncn2C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537181201 894508909 /nfs/dbraw/zinc/50/89/09/894508909.db2.gz NYWXBFJPZLKLOI-UHFFFAOYSA-N 2 1 392.551 3.861 20 0 GHADMP CCC[N@@H+](Cc1ccc2c(c1)ncn2C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537181201 894508915 /nfs/dbraw/zinc/50/89/15/894508915.db2.gz NYWXBFJPZLKLOI-UHFFFAOYSA-N 2 1 392.551 3.861 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000564060227 894534001 /nfs/dbraw/zinc/53/40/01/894534001.db2.gz KPMWCTNLPBXZQG-ZRBLBEILSA-N 2 1 386.580 3.708 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cn1C ZINC000564128709 894628451 /nfs/dbraw/zinc/62/84/51/894628451.db2.gz FGJZHNJXPMRTSA-HDICACEKSA-N 2 1 383.536 3.579 20 0 GHADMP CC(C)Oc1ccccc1CN1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001137138205 894654769 /nfs/dbraw/zinc/65/47/69/894654769.db2.gz SOULLGVOXGDPCU-UHFFFAOYSA-N 2 1 382.552 3.838 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000564153067 894657482 /nfs/dbraw/zinc/65/74/82/894657482.db2.gz UGFSBZZZIJLSCJ-UHFFFAOYSA-N 3 1 396.579 3.555 20 0 GHADMP C[NH+](C)CC1(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCCCC1 ZINC000460186425 894827193 /nfs/dbraw/zinc/82/71/93/894827193.db2.gz YCEZMLZKGMNUCJ-UHFFFAOYSA-N 2 1 375.582 3.686 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)c2)CC1 ZINC000879086499 894828331 /nfs/dbraw/zinc/82/83/31/894828331.db2.gz XCSKKRWJEIJNOO-IFMALSPDSA-N 2 1 384.568 3.519 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325763 894868050 /nfs/dbraw/zinc/86/80/50/894868050.db2.gz PHCITUURMFIHNX-YJBOKZPZSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325763 894868062 /nfs/dbraw/zinc/86/80/62/894868062.db2.gz PHCITUURMFIHNX-YJBOKZPZSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325763 894868073 /nfs/dbraw/zinc/86/80/73/894868073.db2.gz PHCITUURMFIHNX-YJBOKZPZSA-N 2 1 377.326 3.641 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4cc(C)ccc4CC3(C)C)CC2)CC1 ZINC000564349010 894886621 /nfs/dbraw/zinc/88/66/21/894886621.db2.gz JOBVPNCQRYBIQS-UHFFFAOYSA-N 2 1 397.607 3.855 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816546262 894914480 /nfs/dbraw/zinc/91/44/80/894914480.db2.gz DLSYCPRVQVTDPK-YLJYHZDGSA-N 2 1 379.589 3.876 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCC[N@H+](C)Cc3ccccc3)ccc21 ZINC000455854907 895032273 /nfs/dbraw/zinc/03/22/73/895032273.db2.gz GSLJDANDZDOGGO-JOCHJYFZSA-N 2 1 380.536 3.879 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCC4(CCCO4)CC3)C3(C2)CCOCC3)cc1 ZINC000645490747 913932898 /nfs/dbraw/zinc/93/28/98/913932898.db2.gz NHWMWUGHBMUFFJ-ICXLUZGWSA-N 2 1 398.591 3.997 20 0 GHADMP Cc1nn2c(CNCc3ccccc3Cn3ccnc3)c(C(C)C)nc2s1 ZINC000564611779 895122054 /nfs/dbraw/zinc/12/20/54/895122054.db2.gz MRXVRPHIFDFWAI-UHFFFAOYSA-N 2 1 380.521 3.757 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675676 895173937 /nfs/dbraw/zinc/17/39/37/895173937.db2.gz CKAJTIXOYUVFDH-FXAWDEMLSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675676 895173941 /nfs/dbraw/zinc/17/39/41/895173941.db2.gz CKAJTIXOYUVFDH-FXAWDEMLSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675676 895173945 /nfs/dbraw/zinc/17/39/45/895173945.db2.gz CKAJTIXOYUVFDH-FXAWDEMLSA-N 2 1 394.991 3.752 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)c(C(C)C)cc1Cl ZINC000564871884 895290456 /nfs/dbraw/zinc/29/04/56/895290456.db2.gz GKGUXRSNDVWTTO-AEFFLSMTSA-N 2 1 380.960 3.752 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](Cc4ccccc4)[C@H]3C)CC2)CC1 ZINC000565187538 895448312 /nfs/dbraw/zinc/44/83/12/895448312.db2.gz CLIXMPAFDUPCFR-OFNKIYASSA-N 2 1 397.607 3.662 20 0 GHADMP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817276266 895463922 /nfs/dbraw/zinc/46/39/22/895463922.db2.gz XBPYCFABAWFFQR-RPWUZVMVSA-N 2 1 398.522 3.746 20 0 GHADMP O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817276266 895463932 /nfs/dbraw/zinc/46/39/32/895463932.db2.gz XBPYCFABAWFFQR-RPWUZVMVSA-N 2 1 398.522 3.746 20 0 GHADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132892 895532664 /nfs/dbraw/zinc/53/26/64/895532664.db2.gz GYSHXFCEYQWYEZ-WOIUINJBSA-N 2 1 383.561 3.512 20 0 GHADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132892 895532671 /nfs/dbraw/zinc/53/26/71/895532671.db2.gz GYSHXFCEYQWYEZ-WOIUINJBSA-N 2 1 383.561 3.512 20 0 GHADMP CN(C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC000565422275 895613789 /nfs/dbraw/zinc/61/37/89/895613789.db2.gz YSEGBBNPBNPMLF-XZOQPEGZSA-N 2 1 391.559 3.556 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)Nc3cccc(F)c3)C2)s1 ZINC000565661479 895791617 /nfs/dbraw/zinc/79/16/17/895791617.db2.gz SXXJYSYQLNYJAS-QGZVFWFLSA-N 2 1 389.540 3.978 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3c(F)cccc3Cl)CC2)CC1 ZINC000565724023 895834601 /nfs/dbraw/zinc/83/46/01/895834601.db2.gz KNQPFHWTPNVHOS-UHFFFAOYSA-N 2 1 395.950 3.634 20 0 GHADMP CC(C)c1ccc(C2(O)CCC([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC2)cc1 ZINC000817982100 895991487 /nfs/dbraw/zinc/99/14/87/895991487.db2.gz BUGHUUDEOPHSTO-UHFFFAOYSA-N 2 1 399.623 3.746 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1)C[C@@H]1CCCCO1 ZINC000565959185 896010217 /nfs/dbraw/zinc/01/02/17/896010217.db2.gz KULRJKHZRMTVHE-KNQAVFIVSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1)C[C@@H]1CCCCO1 ZINC000565959185 896010226 /nfs/dbraw/zinc/01/02/26/896010226.db2.gz KULRJKHZRMTVHE-KNQAVFIVSA-N 2 1 387.568 3.745 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000566229503 896190785 /nfs/dbraw/zinc/19/07/85/896190785.db2.gz DHGVBRXGUVQWOO-KGLIPLIRSA-N 2 1 378.339 3.614 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000566229503 896190787 /nfs/dbraw/zinc/19/07/87/896190787.db2.gz DHGVBRXGUVQWOO-KGLIPLIRSA-N 2 1 378.339 3.614 20 0 GHADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000818962927 896269117 /nfs/dbraw/zinc/26/91/17/896269117.db2.gz AZBNSYGVJHDGQZ-KEYYUXOJSA-N 2 1 387.749 3.526 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000818959830 896296094 /nfs/dbraw/zinc/29/60/94/896296094.db2.gz UQJUPNCGJUZSHC-JPYJTQIMSA-N 2 1 398.547 3.901 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818959598 896296866 /nfs/dbraw/zinc/29/68/66/896296866.db2.gz ONBKQYCAIATUGA-KBXCAEBGSA-N 2 1 387.337 3.866 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000818959831 896297068 /nfs/dbraw/zinc/29/70/68/896297068.db2.gz UQJUPNCGJUZSHC-MBSDFSHPSA-N 2 1 398.547 3.901 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@H]3C)CC2)CC1 ZINC000566441722 896315854 /nfs/dbraw/zinc/31/58/54/896315854.db2.gz JQXFAKORPIWNTO-XXBNENTESA-N 2 1 383.580 3.587 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3O)CC2)CC1 ZINC000566446535 896317254 /nfs/dbraw/zinc/31/72/54/896317254.db2.gz LIYOEDDBSIRCLX-UHFFFAOYSA-N 2 1 399.457 3.546 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000819015812 896350025 /nfs/dbraw/zinc/35/00/25/896350025.db2.gz PXUXYRHDFCDSPK-UWJYYQICSA-N 2 1 376.903 3.667 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819128596 896429405 /nfs/dbraw/zinc/42/94/05/896429405.db2.gz OMGBSGBLVFXJOX-SFHVURJKSA-N 2 1 375.340 3.506 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645821 896449385 /nfs/dbraw/zinc/44/93/85/896449385.db2.gz ATVPCWPKEPMFEY-RBUKOAKNSA-N 2 1 391.625 3.990 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566913440 896690742 /nfs/dbraw/zinc/69/07/42/896690742.db2.gz WUOWGVIJQXBSTC-GGAORHGYSA-N 2 1 379.548 3.837 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)CC1 ZINC000566978348 896762363 /nfs/dbraw/zinc/76/23/63/896762363.db2.gz HOARSKDUUPEQLQ-WZONZLPQSA-N 2 1 385.527 3.569 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)o1 ZINC000882389597 896781146 /nfs/dbraw/zinc/78/11/46/896781146.db2.gz ICQLBUDKGODAIC-HXUWFJFHSA-N 2 1 396.535 3.658 20 0 GHADMP COCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000567320979 897057517 /nfs/dbraw/zinc/05/75/17/897057517.db2.gz JJXMRUCOUHXWMR-WBDAEOGXSA-N 2 1 393.531 3.557 20 0 GHADMP COCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000567320979 897057529 /nfs/dbraw/zinc/05/75/29/897057529.db2.gz JJXMRUCOUHXWMR-WBDAEOGXSA-N 2 1 393.531 3.557 20 0 GHADMP CN(C)c1nc(N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc[nH+]1 ZINC000567621189 897297315 /nfs/dbraw/zinc/29/73/15/897297315.db2.gz BDVUMDDVNDBUGC-IVZBYUQCSA-N 2 1 385.943 3.644 20 0 GHADMP CN(C)c1nc(N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc[nH+]1 ZINC000567621189 897297329 /nfs/dbraw/zinc/29/73/29/897297329.db2.gz BDVUMDDVNDBUGC-IVZBYUQCSA-N 2 1 385.943 3.644 20 0 GHADMP CC[NH+](CC)CCn1c2ccccc2nc1NCc1ncc(C[NH+](C)C)s1 ZINC000883207354 897371361 /nfs/dbraw/zinc/37/13/61/897371361.db2.gz LABVAHMRHWPEOS-UHFFFAOYSA-N 2 1 386.569 3.508 20 0 GHADMP CC(C)c1ccc(C2(O)CCC([NH2+]CCCC[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000131448668 897467778 /nfs/dbraw/zinc/46/77/78/897467778.db2.gz ISCRQAVPBNVGEN-WLXPTCNVSA-N 2 1 388.596 3.767 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000567968188 897512320 /nfs/dbraw/zinc/51/23/20/897512320.db2.gz JWUVXQLZXNKGCO-UHFFFAOYSA-N 2 1 387.527 3.560 20 0 GHADMP Cn1cc(N2CCC[C@H]([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cn1 ZINC000820813025 897541880 /nfs/dbraw/zinc/54/18/80/897541880.db2.gz XCQCXWFGXFOZOY-MBJRSGMTSA-N 2 1 393.579 3.564 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000568213546 897679736 /nfs/dbraw/zinc/67/97/36/897679736.db2.gz CHCLGKKAFSVFDX-GOSISDBHSA-N 2 1 383.580 3.938 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000111607024 898058971 /nfs/dbraw/zinc/05/89/71/898058971.db2.gz GKXMYZYNNGMLIA-DHIUTWEWSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1cccnc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000111607024 898058984 /nfs/dbraw/zinc/05/89/84/898058984.db2.gz GKXMYZYNNGMLIA-DHIUTWEWSA-N 2 1 398.595 3.551 20 0 GHADMP C[N@@H+](CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1)CC(C)(C)C ZINC001136676183 898866356 /nfs/dbraw/zinc/86/63/56/898866356.db2.gz SLKJVXIBWVAJRQ-UHFFFAOYSA-N 2 1 379.976 3.742 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)c(F)c1 ZINC000112545911 898891806 /nfs/dbraw/zinc/89/18/06/898891806.db2.gz MABBUIFTFVRFOW-KXBFYZLASA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)c(F)c1 ZINC000112545912 898892036 /nfs/dbraw/zinc/89/20/36/898892036.db2.gz MABBUIFTFVRFOW-BEFAXECRSA-N 2 1 387.474 3.513 20 0 GHADMP COC(=O)COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000569926397 899027054 /nfs/dbraw/zinc/02/70/54/899027054.db2.gz DEZAZBFBFVLSNB-NRFANRHFSA-N 2 1 394.515 3.525 20 0 GHADMP COC(=O)COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000569926397 899027068 /nfs/dbraw/zinc/02/70/68/899027068.db2.gz DEZAZBFBFVLSNB-NRFANRHFSA-N 2 1 394.515 3.525 20 0 GHADMP C[N@H+](C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823436554 899027195 /nfs/dbraw/zinc/02/71/95/899027195.db2.gz ACPRZEWZLUMPJS-HYBUGGRVSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@@H+](C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000823436554 899027208 /nfs/dbraw/zinc/02/72/08/899027208.db2.gz ACPRZEWZLUMPJS-HYBUGGRVSA-N 2 1 399.579 3.840 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569948203 899037921 /nfs/dbraw/zinc/03/79/21/899037921.db2.gz JYBCSCNBAHTTFC-KWOQKUFVSA-N 2 1 381.564 3.798 20 0 GHADMP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000570088941 899117944 /nfs/dbraw/zinc/11/79/44/899117944.db2.gz SGSBNHPQXPIFTG-ODAXIHTASA-N 2 1 378.601 3.939 20 0 GHADMP C(CC[NH+]1CCC[C@H]1[C@@H]1CCCOC1)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570088941 899117950 /nfs/dbraw/zinc/11/79/50/899117950.db2.gz SGSBNHPQXPIFTG-ODAXIHTASA-N 2 1 378.601 3.939 20 0 GHADMP C(CC[NH+]1CCC[C@H]1[C@@H]1CCCOC1)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570088941 899117957 /nfs/dbraw/zinc/11/79/57/899117957.db2.gz SGSBNHPQXPIFTG-ODAXIHTASA-N 2 1 378.601 3.939 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)NCc2c[nH+]c3n2CCCC3)CCCC1)c1ccccc1 ZINC000570304785 899252457 /nfs/dbraw/zinc/25/24/57/899252457.db2.gz HNAAFTIADDXMHO-SFHVURJKSA-N 2 1 395.551 3.682 20 0 GHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000570727644 899537819 /nfs/dbraw/zinc/53/78/19/899537819.db2.gz SBBGSCTXCQLCFB-HZSPNIEDSA-N 2 1 378.314 3.909 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000570727644 899537827 /nfs/dbraw/zinc/53/78/27/899537827.db2.gz SBBGSCTXCQLCFB-HZSPNIEDSA-N 2 1 378.314 3.909 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554009 899685143 /nfs/dbraw/zinc/68/51/43/899685143.db2.gz LPFARMLGTFZOAS-IRNNPGBSSA-N 2 1 388.519 3.713 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571126164 899753036 /nfs/dbraw/zinc/75/30/36/899753036.db2.gz SMFHJGGYCSXQCH-LEAZDLGRSA-N 2 1 384.486 3.970 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCC[C@@]4(C)CO3)no2)cc1)C(C)C ZINC000571481625 899882753 /nfs/dbraw/zinc/88/27/53/899882753.db2.gz JDLUKAWMFPZHFV-KNQAVFIVSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1)C(C)C ZINC000571481625 899882755 /nfs/dbraw/zinc/88/27/55/899882755.db2.gz JDLUKAWMFPZHFV-KNQAVFIVSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1)C(C)C ZINC000571481625 899882760 /nfs/dbraw/zinc/88/27/60/899882760.db2.gz JDLUKAWMFPZHFV-KNQAVFIVSA-N 2 1 384.524 3.893 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc([C@@H]3C[NH+]4CCC[C@]4(C)CO3)no2)cc1)C(C)C ZINC000571481626 899882836 /nfs/dbraw/zinc/88/28/36/899882836.db2.gz JDLUKAWMFPZHFV-SIKLNZKXSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1)C(C)C ZINC000571481626 899882838 /nfs/dbraw/zinc/88/28/38/899882838.db2.gz JDLUKAWMFPZHFV-SIKLNZKXSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1)C(C)C ZINC000571481626 899882844 /nfs/dbraw/zinc/88/28/44/899882844.db2.gz JDLUKAWMFPZHFV-SIKLNZKXSA-N 2 1 384.524 3.893 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C3(C2)CCOCC3)cc1 ZINC000572000846 900032540 /nfs/dbraw/zinc/03/25/40/900032540.db2.gz VRSAMIZFKUIBOL-JOCHJYFZSA-N 2 1 391.559 3.589 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3ccc4c(n3)CCC4)C3(C2)CCOCC3)cc1 ZINC000572000846 900032551 /nfs/dbraw/zinc/03/25/51/900032551.db2.gz VRSAMIZFKUIBOL-JOCHJYFZSA-N 2 1 391.559 3.589 20 0 GHADMP O=c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000134900430 900143085 /nfs/dbraw/zinc/14/30/85/900143085.db2.gz IWFQYXLTDLVHGL-XMSQKQJNSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000134900430 900143096 /nfs/dbraw/zinc/14/30/96/900143096.db2.gz IWFQYXLTDLVHGL-XMSQKQJNSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000134900430 900143102 /nfs/dbraw/zinc/14/31/02/900143102.db2.gz IWFQYXLTDLVHGL-XMSQKQJNSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000134900430 900143111 /nfs/dbraw/zinc/14/31/11/900143111.db2.gz IWFQYXLTDLVHGL-XMSQKQJNSA-N 2 1 378.516 3.730 20 0 GHADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000572446530 900194831 /nfs/dbraw/zinc/19/48/31/900194831.db2.gz ZOFKQLVQIIAPMV-UPVQGACJSA-N 2 1 382.548 3.641 20 0 GHADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000572446530 900194838 /nfs/dbraw/zinc/19/48/38/900194838.db2.gz ZOFKQLVQIIAPMV-UPVQGACJSA-N 2 1 382.548 3.641 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC001137043673 900196576 /nfs/dbraw/zinc/19/65/76/900196576.db2.gz BGGKTFFMVWOJMF-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137043673 900196580 /nfs/dbraw/zinc/19/65/80/900196580.db2.gz BGGKTFFMVWOJMF-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137043673 900196584 /nfs/dbraw/zinc/19/65/84/900196584.db2.gz BGGKTFFMVWOJMF-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc4ccccc4s3)CC2)CC1 ZINC000573017685 900343748 /nfs/dbraw/zinc/34/37/48/900343748.db2.gz NBPRWQIBOVMASO-UHFFFAOYSA-N 2 1 385.577 3.714 20 0 GHADMP C[C@H](CO)[NH+](Cc1ccccc1C[N@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000574348139 900853675 /nfs/dbraw/zinc/85/36/75/900853675.db2.gz RQYCTWJFEYBFRJ-BGYRXZFFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](CO)[N@@H+](Cc1ccccc1C[NH+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000574348139 900853684 /nfs/dbraw/zinc/85/36/84/900853684.db2.gz RQYCTWJFEYBFRJ-BGYRXZFFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](CO)[N@H+](Cc1ccccc1C[NH+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000574348139 900853690 /nfs/dbraw/zinc/85/36/90/900853690.db2.gz RQYCTWJFEYBFRJ-BGYRXZFFSA-N 2 1 388.596 3.937 20 0 GHADMP CN(CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050436 900977297 /nfs/dbraw/zinc/97/72/97/900977297.db2.gz TWKFDOABYYLNHD-QFIPXVFZSA-N 2 1 399.966 3.943 20 0 GHADMP CN(CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1)Cc1ccccc1 ZINC001144050436 900977303 /nfs/dbraw/zinc/97/73/03/900977303.db2.gz TWKFDOABYYLNHD-QFIPXVFZSA-N 2 1 399.966 3.943 20 0 GHADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574795434 901014747 /nfs/dbraw/zinc/01/47/47/901014747.db2.gz JAUCGIJVFJYYSC-OZOXKJRCSA-N 2 1 385.939 3.757 20 0 GHADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574795434 901014755 /nfs/dbraw/zinc/01/47/55/901014755.db2.gz JAUCGIJVFJYYSC-OZOXKJRCSA-N 2 1 385.939 3.757 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc(C4CC4)ccc3F)CC2)CC1 ZINC000574821461 901019820 /nfs/dbraw/zinc/01/98/20/901019820.db2.gz ICTALAWULSNBSU-UHFFFAOYSA-N 2 1 387.543 3.516 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC12CCOCC2 ZINC000574811368 901019986 /nfs/dbraw/zinc/01/99/86/901019986.db2.gz JYAWCDFAVHUAPD-KRWDZBQOSA-N 2 1 388.458 3.944 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144176821 901197845 /nfs/dbraw/zinc/19/78/45/901197845.db2.gz MFDDDZAQXICLNL-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)ccc1Cl ZINC000886636985 901202053 /nfs/dbraw/zinc/20/20/53/901202053.db2.gz ZZEAEGMTUVNMEK-WDSOQIARSA-N 2 1 399.922 3.664 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)ccc1Cl ZINC000886636985 901202065 /nfs/dbraw/zinc/20/20/65/901202065.db2.gz ZZEAEGMTUVNMEK-WDSOQIARSA-N 2 1 399.922 3.664 20 0 GHADMP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)[nH+]c1C ZINC000886660940 901211779 /nfs/dbraw/zinc/21/17/79/901211779.db2.gz IPKPSTPCYXBFIS-OXQOHEQNSA-N 2 1 384.499 3.707 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1Cl ZINC000886664244 901213682 /nfs/dbraw/zinc/21/36/82/901213682.db2.gz GVUSFTJOIWZPJT-UHFFFAOYSA-N 2 1 390.915 3.897 20 0 GHADMP C(CCC[N@@H+]1CCC[C@H](N2CCCC2)C1)CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000158327478 901229376 /nfs/dbraw/zinc/22/93/76/901229376.db2.gz AKRKMHPANVJLSK-ZEQRLZLVSA-N 2 1 390.660 3.667 20 0 GHADMP C(CCC[N@H+]1CCC[C@H](N2CCCC2)C1)CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000158327478 901229390 /nfs/dbraw/zinc/22/93/90/901229390.db2.gz AKRKMHPANVJLSK-ZEQRLZLVSA-N 2 1 390.660 3.667 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000775016416 914533864 /nfs/dbraw/zinc/53/38/64/914533864.db2.gz NGPRAXOLFNOGAR-FQEVSTJZSA-N 2 1 389.337 3.614 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000093770301 901564405 /nfs/dbraw/zinc/56/44/05/901564405.db2.gz ZDJTVXAHDNCLJE-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000093770301 901564419 /nfs/dbraw/zinc/56/44/19/901564419.db2.gz ZDJTVXAHDNCLJE-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000093770301 901564448 /nfs/dbraw/zinc/56/44/48/901564448.db2.gz ZDJTVXAHDNCLJE-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000093770301 901564471 /nfs/dbraw/zinc/56/44/71/901564471.db2.gz ZDJTVXAHDNCLJE-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP CCc1ccc(C(C)(C)NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000576000465 901570968 /nfs/dbraw/zinc/57/09/68/901570968.db2.gz AXNBIKJMDUHPLW-UHFFFAOYSA-N 2 1 385.596 3.797 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000576100397 901682529 /nfs/dbraw/zinc/68/25/29/901682529.db2.gz LUSQFOGZZWGYBE-NQIIRXRSSA-N 2 1 388.577 3.790 20 0 GHADMP CCOC(=O)CC1([NH3+])CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171159764 901749724 /nfs/dbraw/zinc/74/97/24/901749724.db2.gz ZKXXRZIDOASVSW-HNNXBMFYSA-N 2 1 385.335 3.597 20 0 GHADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(C4CC[NH2+]CC4)cc4nc[nH]c43)c2c1 ZINC001171165010 901847960 /nfs/dbraw/zinc/84/79/60/901847960.db2.gz MHBQYMYHZSTTDR-OAHLLOKOSA-N 2 1 388.519 3.567 20 0 GHADMP Cc1cc(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)n1CCc1cccs1 ZINC000576517761 902073371 /nfs/dbraw/zinc/07/33/71/902073371.db2.gz PFYURCRHKHMYRS-KDURUIRLSA-N 2 1 385.577 3.523 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1F ZINC001144459167 902225506 /nfs/dbraw/zinc/22/55/06/902225506.db2.gz SNTSLQSRSTVFKY-UHFFFAOYSA-N 2 1 384.499 3.501 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)CC1 ZINC000576836167 902292414 /nfs/dbraw/zinc/29/24/14/902292414.db2.gz SASRICMLRJIGBN-SESVDKBCSA-N 2 1 375.601 3.658 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CCCOc4cc(F)cc(F)c43)CC2)nc(C)[nH+]1 ZINC000333863903 902380422 /nfs/dbraw/zinc/38/04/22/902380422.db2.gz SHKSTPAGMSJPLG-SFHVURJKSA-N 2 1 388.462 3.844 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000577055111 902471632 /nfs/dbraw/zinc/47/16/32/902471632.db2.gz IOAGAYIUJMVXGK-JQVVWYNYSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000577055111 902471639 /nfs/dbraw/zinc/47/16/39/902471639.db2.gz IOAGAYIUJMVXGK-JQVVWYNYSA-N 2 1 388.577 3.777 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1)N1CCCCC1 ZINC000577063430 902477101 /nfs/dbraw/zinc/47/71/01/902477101.db2.gz HEWWHVRQDZVMGN-VJBWXMMDSA-N 2 1 395.591 3.954 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1)N1CCCCC1 ZINC000577063430 902477111 /nfs/dbraw/zinc/47/71/11/902477111.db2.gz HEWWHVRQDZVMGN-VJBWXMMDSA-N 2 1 395.591 3.954 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)CC1 ZINC000779003663 902707430 /nfs/dbraw/zinc/70/74/30/902707430.db2.gz NQUDPEQKCHXSGC-INIZCTEOSA-N 2 1 390.572 3.940 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000779006227 902749699 /nfs/dbraw/zinc/74/96/99/902749699.db2.gz QMAAEZJLFCVZAJ-OAHLLOKOSA-N 2 1 388.556 3.692 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000129805043 902855918 /nfs/dbraw/zinc/85/59/18/902855918.db2.gz DBNLCGPPVOPOIC-CEXWTWQISA-N 2 1 397.485 3.595 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000600845676 902996454 /nfs/dbraw/zinc/99/64/54/902996454.db2.gz IOSHIFIAOMIBHC-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000600845676 902996460 /nfs/dbraw/zinc/99/64/60/902996460.db2.gz IOSHIFIAOMIBHC-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000600845676 902996470 /nfs/dbraw/zinc/99/64/70/902996470.db2.gz IOSHIFIAOMIBHC-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3cccnc3)cc2)C1 ZINC000577927631 903354149 /nfs/dbraw/zinc/35/41/49/903354149.db2.gz NZSLCUROQBTSMP-KDURUIRLSA-N 2 1 380.536 3.678 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccncc1F ZINC000577968654 903396727 /nfs/dbraw/zinc/39/67/27/903396727.db2.gz ZGOICDAYOQYQCH-AZUAARDMSA-N 2 1 383.511 3.800 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccncc1F ZINC000577968654 903396741 /nfs/dbraw/zinc/39/67/41/903396741.db2.gz ZGOICDAYOQYQCH-AZUAARDMSA-N 2 1 383.511 3.800 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)c3ccc(NC(N)=[NH2+])cc3)cccc2[C@@H](c2ccccc2)C1 ZINC001148650545 904136546 /nfs/dbraw/zinc/13/65/46/904136546.db2.gz QZEBYTZFGGCADM-HXUWFJFHSA-N 2 1 399.498 3.822 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000578867570 904193317 /nfs/dbraw/zinc/19/33/17/904193317.db2.gz UHVHMPPGLVRSRH-HSZRJFAPSA-N 2 1 382.552 3.889 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000578867570 904193320 /nfs/dbraw/zinc/19/33/20/904193320.db2.gz UHVHMPPGLVRSRH-HSZRJFAPSA-N 2 1 382.552 3.889 20 0 GHADMP C[C@H](NC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000578970363 904267911 /nfs/dbraw/zinc/26/79/11/904267911.db2.gz RPFRKEQJFOPYGV-JWNTYJGQSA-N 2 1 394.563 3.792 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000578978395 904273517 /nfs/dbraw/zinc/27/35/17/904273517.db2.gz XYEHWMCJXKRFAI-UHFFFAOYSA-N 2 1 384.499 3.504 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579110531 904355825 /nfs/dbraw/zinc/35/58/25/904355825.db2.gz NYFQUMJPDUGSGO-YKCBXCCJSA-N 2 1 395.950 3.886 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370335 904368760 /nfs/dbraw/zinc/36/87/60/904368760.db2.gz JRJWXTTXNRIKRG-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370335 904368778 /nfs/dbraw/zinc/36/87/78/904368778.db2.gz JRJWXTTXNRIKRG-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370335 904368796 /nfs/dbraw/zinc/36/87/96/904368796.db2.gz JRJWXTTXNRIKRG-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCc4c(F)cc(F)cc4C3)C2)C1 ZINC001171370335 904368813 /nfs/dbraw/zinc/36/88/13/904368813.db2.gz JRJWXTTXNRIKRG-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP O[C@H](c1ccccc1)C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000773095361 904428243 /nfs/dbraw/zinc/42/82/43/904428243.db2.gz RSBXVKHKCGLSQF-HSZRJFAPSA-N 2 1 382.523 3.936 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000773118176 904447945 /nfs/dbraw/zinc/44/79/45/904447945.db2.gz MVXIAKXSAMFSDN-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000773118176 904447949 /nfs/dbraw/zinc/44/79/49/904447949.db2.gz MVXIAKXSAMFSDN-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP CCCN(C(=O)CCCn1cc[nH+]c1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889491128 904603736 /nfs/dbraw/zinc/60/37/36/904603736.db2.gz VAVIYOOGOXONNB-UHFFFAOYSA-N 2 1 382.552 3.875 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000579588713 904723700 /nfs/dbraw/zinc/72/37/00/904723700.db2.gz WWBZHFJHYXGIKS-UEVCKROQSA-N 2 1 379.548 3.978 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889834057 904790339 /nfs/dbraw/zinc/79/03/39/904790339.db2.gz VTOPPKQYVYWXGA-IBGZPJMESA-N 2 1 399.579 3.687 20 0 GHADMP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC2)cc1 ZINC001171522209 904799643 /nfs/dbraw/zinc/79/96/43/904799643.db2.gz BWZTZKUKIFPBJI-MRXNPFEDSA-N 2 1 390.449 3.920 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1(C)C ZINC001171636129 904924316 /nfs/dbraw/zinc/92/43/16/904924316.db2.gz BMYPTYONEXYPBW-SJLPKXTDSA-N 2 1 376.614 3.691 20 0 GHADMP CCn1c2ccccc2nc1N1CC[NH+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641984 904932408 /nfs/dbraw/zinc/93/24/08/904932408.db2.gz YKODORMVYGDGIL-UHFFFAOYSA-N 2 1 383.584 3.830 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)c1ccccc1 ZINC001171791441 905049331 /nfs/dbraw/zinc/04/93/31/905049331.db2.gz KSWGZRKTWIGGLV-FYYLOGMGSA-N 2 1 397.538 3.642 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F)c1ccccc1 ZINC001171791441 905049350 /nfs/dbraw/zinc/04/93/50/905049350.db2.gz KSWGZRKTWIGGLV-FYYLOGMGSA-N 2 1 397.538 3.642 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000626518193 905088955 /nfs/dbraw/zinc/08/89/55/905088955.db2.gz ZHWPGKODYBVYBS-XRXFAXGQSA-N 2 1 397.588 3.563 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 ZINC001171854615 905101410 /nfs/dbraw/zinc/10/14/10/905101410.db2.gz FWDWNIKLFZQFQZ-LJQANCHMSA-N 2 1 377.573 3.867 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863282 905110778 /nfs/dbraw/zinc/11/07/78/905110778.db2.gz WPLHSVUCGOHDKK-OTWHNJEPSA-N 2 1 377.573 3.582 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863282 905110793 /nfs/dbraw/zinc/11/07/93/905110793.db2.gz WPLHSVUCGOHDKK-OTWHNJEPSA-N 2 1 377.573 3.582 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863282 905110803 /nfs/dbraw/zinc/11/08/03/905110803.db2.gz WPLHSVUCGOHDKK-OTWHNJEPSA-N 2 1 377.573 3.582 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171966592 905174624 /nfs/dbraw/zinc/17/46/24/905174624.db2.gz LSRSTMUSIMGKFJ-GOTSBHOMSA-N 2 1 382.548 3.597 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(OC3COC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171972657 905217657 /nfs/dbraw/zinc/21/76/57/905217657.db2.gz SDFGQAORIMUFKB-NRFANRHFSA-N 2 1 380.532 3.997 20 0 GHADMP CC1(C)C[C@@H](N(Cc2ccccc2)C2(C[NH3+])COC2)CC[N@H+]1Cc1ccccc1 ZINC001171972656 905218886 /nfs/dbraw/zinc/21/88/86/905218886.db2.gz SBRSUJIDLKJQJI-QHCPKHFHSA-N 2 1 393.575 3.660 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CCN(c3cnccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978013 905225611 /nfs/dbraw/zinc/22/56/11/905225611.db2.gz FFXHYZWRTYYVEU-QFIPXVFZSA-N 2 1 393.579 3.726 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CCN(c3cnccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978009 905225989 /nfs/dbraw/zinc/22/59/89/905225989.db2.gz FFXHYZWRTYYVEU-JOCHJYFZSA-N 2 1 393.579 3.726 20 0 GHADMP CC1(C)C[C@H](N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980426 905231730 /nfs/dbraw/zinc/23/17/30/905231730.db2.gz QOGWMIMAWNIRCG-YPAWHYETSA-N 2 1 393.579 3.996 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCCN(C(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985448 905244278 /nfs/dbraw/zinc/24/42/78/905244278.db2.gz WWTURCBOWYRARY-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCCN(C(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985448 905244293 /nfs/dbraw/zinc/24/42/93/905244293.db2.gz WWTURCBOWYRARY-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCCN(C(=O)C3CCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001171985448 905244310 /nfs/dbraw/zinc/24/43/10/905244310.db2.gz WWTURCBOWYRARY-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCCN(C(=O)C3CCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001171985448 905244325 /nfs/dbraw/zinc/24/43/25/905244325.db2.gz WWTURCBOWYRARY-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(Oc3ncccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987866 905250769 /nfs/dbraw/zinc/25/07/69/905250769.db2.gz KZWCASQTKKQZBG-HXUWFJFHSA-N 2 1 380.536 3.763 20 0 GHADMP O=C(CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1Cc2ccccc2C1 ZINC000174381400 905261899 /nfs/dbraw/zinc/26/18/99/905261899.db2.gz QORGXRZNZJRDNW-UHFFFAOYSA-N 2 1 377.532 3.563 20 0 GHADMP COc1cccc(C[C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172072822 905276535 /nfs/dbraw/zinc/27/65/35/905276535.db2.gz NGTZKQXHFZISEY-NEWJYFPISA-N 2 1 394.559 3.774 20 0 GHADMP O=C1CCC2(CCC([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)N1 ZINC001172074017 905280616 /nfs/dbraw/zinc/28/06/16/905280616.db2.gz SRGJUUOKLRMZLW-DNZXKKCJSA-N 2 1 381.564 3.753 20 0 GHADMP O=C1CCCC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)N1 ZINC001172074033 905281145 /nfs/dbraw/zinc/28/11/45/905281145.db2.gz ZZGUBQXFQAKFNA-ZBYYUNFXSA-N 2 1 381.564 3.707 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090818 905309740 /nfs/dbraw/zinc/30/97/40/905309740.db2.gz XIZASHQJGVYAND-WZYRSQIMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090818 905309754 /nfs/dbraw/zinc/30/97/54/905309754.db2.gz XIZASHQJGVYAND-WZYRSQIMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090818 905309771 /nfs/dbraw/zinc/30/97/71/905309771.db2.gz XIZASHQJGVYAND-WZYRSQIMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090818 905309786 /nfs/dbraw/zinc/30/97/86/905309786.db2.gz XIZASHQJGVYAND-WZYRSQIMSA-N 2 1 392.547 3.906 20 0 GHADMP CCOC(=O)NC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172091046 905312361 /nfs/dbraw/zinc/31/23/61/905312361.db2.gz ZXXSHZYVHNXTJZ-KOUNCHBCSA-N 2 1 385.552 3.783 20 0 GHADMP O=C(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1nccs1 ZINC001172063254 905325267 /nfs/dbraw/zinc/32/52/67/905325267.db2.gz AZYPZTQLJFUNMY-REPLKXPHSA-N 2 1 384.549 3.647 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=S)NC(=O)OC(C)(C)C)CC1)C2 ZINC001172127131 905342273 /nfs/dbraw/zinc/34/22/73/905342273.db2.gz GZGBOKBFQGRBFR-BJWYYQGGSA-N 2 1 381.586 3.566 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=S)NC(=O)OC(C)(C)C)CC1)C2 ZINC001172127131 905342287 /nfs/dbraw/zinc/34/22/87/905342287.db2.gz GZGBOKBFQGRBFR-BJWYYQGGSA-N 2 1 381.586 3.566 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1COc3ccc(Br)cc3C1)C2 ZINC001172115018 905364138 /nfs/dbraw/zinc/36/41/38/905364138.db2.gz TXGWEUXWMFKPSK-RUGDWHBFSA-N 2 1 379.342 3.605 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001172115956 905365920 /nfs/dbraw/zinc/36/59/20/905365920.db2.gz WNUXLGYEOUWFES-OSYLJGHBSA-N 2 1 386.458 3.836 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC1)c1ccccc1N(CC1CC1)C3=O)C2 ZINC001172117597 905372998 /nfs/dbraw/zinc/37/29/98/905372998.db2.gz QQSOKPMKSNWMEJ-WKCHPHFGSA-N 2 1 393.575 3.792 20 0 GHADMP CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172117994 905375613 /nfs/dbraw/zinc/37/56/13/905375613.db2.gz TZDZBWCKEKYNBA-WZYRSQIMSA-N 2 1 395.591 3.872 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1)C2 ZINC001172118997 905375934 /nfs/dbraw/zinc/37/59/34/905375934.db2.gz UQKFGFWOXWEDFC-KGSLCBSSSA-N 2 1 398.572 3.784 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1)C2 ZINC001172118997 905375950 /nfs/dbraw/zinc/37/59/50/905375950.db2.gz UQKFGFWOXWEDFC-KGSLCBSSSA-N 2 1 398.572 3.784 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121860 905382656 /nfs/dbraw/zinc/38/26/56/905382656.db2.gz UKUQXHCJGIZUTA-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121860 905382669 /nfs/dbraw/zinc/38/26/69/905382669.db2.gz UKUQXHCJGIZUTA-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121860 905382680 /nfs/dbraw/zinc/38/26/80/905382680.db2.gz UKUQXHCJGIZUTA-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP COCCC[NH+]1CCC([NH2+]C2(Cc3ccccc3Cl)CCOCC2)CC1 ZINC001172248405 905446451 /nfs/dbraw/zinc/44/64/51/905446451.db2.gz GGNHQFSFQPKWCD-UHFFFAOYSA-N 2 1 380.960 3.522 20 0 GHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)C[C@H]1C ZINC001172376693 905487847 /nfs/dbraw/zinc/48/78/47/905487847.db2.gz JSIWRDWIESOOMS-BKVYOURLSA-N 2 1 378.601 3.791 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172530523 905593187 /nfs/dbraw/zinc/59/31/87/905593187.db2.gz OTZBFSVNJVYKEL-FHWMYVSESA-N 2 1 395.591 3.922 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172530523 905593200 /nfs/dbraw/zinc/59/32/00/905593200.db2.gz OTZBFSVNJVYKEL-FHWMYVSESA-N 2 1 395.591 3.922 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000801584979 921165832 /nfs/dbraw/zinc/16/58/32/921165832.db2.gz OOZVYUAWDSNULH-QFIPXVFZSA-N 2 1 380.532 3.792 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000801584979 921165839 /nfs/dbraw/zinc/16/58/39/921165839.db2.gz OOZVYUAWDSNULH-QFIPXVFZSA-N 2 1 380.532 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172668524 905753545 /nfs/dbraw/zinc/75/35/45/905753545.db2.gz ZXGQPUNWUJAQOK-HJOGWXRNSA-N 2 1 391.559 3.950 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172679842 905760338 /nfs/dbraw/zinc/76/03/38/905760338.db2.gz PBKHDKOTTCVDFD-DNVJHFABSA-N 2 1 383.580 3.940 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172858233 905913171 /nfs/dbraw/zinc/91/31/71/905913171.db2.gz KXZNXNJLYLWTKJ-PERKRYKHSA-N 2 1 390.930 3.883 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172858233 905913179 /nfs/dbraw/zinc/91/31/79/905913179.db2.gz KXZNXNJLYLWTKJ-PERKRYKHSA-N 2 1 390.930 3.883 20 0 GHADMP C[C@@H](CSc1ccc(Cl)cc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172885666 905971856 /nfs/dbraw/zinc/97/18/56/905971856.db2.gz SNIRGZNAYUGZID-KRWDZBQOSA-N 2 1 382.017 3.780 20 0 GHADMP COc1ccc(C2([NH3+])CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001172957522 906063884 /nfs/dbraw/zinc/06/38/84/906063884.db2.gz UFOHJGVSTPSLKW-KRWDZBQOSA-N 2 1 391.556 3.591 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173006455 906080801 /nfs/dbraw/zinc/08/08/01/906080801.db2.gz SKKLYMRLGFNMRL-FCHUYYIVSA-N 2 1 387.543 3.769 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173006455 906080816 /nfs/dbraw/zinc/08/08/16/906080816.db2.gz SKKLYMRLGFNMRL-FCHUYYIVSA-N 2 1 387.543 3.769 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173006455 906080823 /nfs/dbraw/zinc/08/08/23/906080823.db2.gz SKKLYMRLGFNMRL-FCHUYYIVSA-N 2 1 387.543 3.769 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173073657 906167650 /nfs/dbraw/zinc/16/76/50/906167650.db2.gz PRODFETYOZJCQI-IEBWSBKVSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173074297 906170120 /nfs/dbraw/zinc/17/01/20/906170120.db2.gz HCFQIUROKNUHAQ-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173074297 906170128 /nfs/dbraw/zinc/17/01/28/906170128.db2.gz HCFQIUROKNUHAQ-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173074297 906170135 /nfs/dbraw/zinc/17/01/35/906170135.db2.gz HCFQIUROKNUHAQ-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP CC[NH+](CC)C1CCC(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)CC1 ZINC001173109101 906194805 /nfs/dbraw/zinc/19/48/05/906194805.db2.gz FWLWXIXMBCFDAZ-UHFFFAOYSA-N 3 1 375.605 3.537 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(C)C3=O)C2)CC1 ZINC001173110727 906198762 /nfs/dbraw/zinc/19/87/62/906198762.db2.gz OETZRAHRQVQXCX-ICOILDSSSA-N 2 1 383.580 3.587 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)CC1 ZINC001173111525 906199075 /nfs/dbraw/zinc/19/90/75/906199075.db2.gz ZEKKMSCWBBEXHP-XJDRTWLVSA-N 2 1 387.568 3.735 20 0 GHADMP COc1cccc2c1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC001173145660 906233292 /nfs/dbraw/zinc/23/32/92/906233292.db2.gz SHZSHXRNADBZSQ-MXEMCNAFSA-N 2 1 378.516 3.784 20 0 GHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)C1 ZINC001173275261 906346615 /nfs/dbraw/zinc/34/66/15/906346615.db2.gz GXDJPZKAYFLGJE-BAGYTPMASA-N 2 1 378.601 3.795 20 0 GHADMP CC[C@H]1CC[C@H]([NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)C1 ZINC001173280100 906365995 /nfs/dbraw/zinc/36/59/95/906365995.db2.gz SEUHVNOSMQYHRN-PMACEKPBSA-N 2 1 383.580 3.816 20 0 GHADMP CC[C@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001173290856 906368411 /nfs/dbraw/zinc/36/84/11/906368411.db2.gz YCXAPKGBYKKFEO-NZQKXSOJSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173387551 906415865 /nfs/dbraw/zinc/41/58/65/906415865.db2.gz XXLISETUWHDQOH-SQNIBIBYSA-N 2 1 398.588 3.516 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001173660493 906596675 /nfs/dbraw/zinc/59/66/75/906596675.db2.gz KVEBLPYPISUCSP-UWJYYQICSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001173660493 906596691 /nfs/dbraw/zinc/59/66/91/906596691.db2.gz KVEBLPYPISUCSP-UWJYYQICSA-N 2 1 376.516 3.844 20 0 GHADMP CCCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173768364 906686956 /nfs/dbraw/zinc/68/69/56/906686956.db2.gz VUJUZLSASHUXRX-UHFFFAOYSA-N 2 1 383.939 3.795 20 0 GHADMP CCCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173768364 906686962 /nfs/dbraw/zinc/68/69/62/906686962.db2.gz VUJUZLSASHUXRX-UHFFFAOYSA-N 2 1 383.939 3.795 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180110308 906691921 /nfs/dbraw/zinc/69/19/21/906691921.db2.gz AUQACPKZBQXLPB-XMMPIXPASA-N 2 1 381.564 3.792 20 0 GHADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nc(-c4ccc(Cl)cc4)sc32)CCOCC1 ZINC000629522387 906853824 /nfs/dbraw/zinc/85/38/24/906853824.db2.gz YWROOICBFBLCQX-HNNXBMFYSA-N 2 1 377.941 3.938 20 0 GHADMP C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180856170 906861622 /nfs/dbraw/zinc/86/16/22/906861622.db2.gz WZHKSDZUNWKQTA-FPOVZHCZSA-N 2 1 398.595 3.603 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629563700 906871041 /nfs/dbraw/zinc/87/10/41/906871041.db2.gz FFKLQBJVXJGOFA-WBVHZDCISA-N 2 1 379.426 3.628 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566771 906873749 /nfs/dbraw/zinc/87/37/49/906873749.db2.gz OBTFGIWQPUYBQK-WDEREUQCSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566771 906873754 /nfs/dbraw/zinc/87/37/54/906873754.db2.gz OBTFGIWQPUYBQK-WDEREUQCSA-N 2 1 398.256 3.781 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]([NH3+])c1ccccc1 ZINC000629603084 906895585 /nfs/dbraw/zinc/89/55/85/906895585.db2.gz ZWNLMCKBOOMZAT-JPYJTQIMSA-N 2 1 391.515 3.864 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]([NH3+])c1ccccc1 ZINC000629603084 906895596 /nfs/dbraw/zinc/89/55/96/906895596.db2.gz ZWNLMCKBOOMZAT-JPYJTQIMSA-N 2 1 391.515 3.864 20 0 GHADMP c1ccc(C[N@@H+]2CCC=C(Nc3ccc(CC[NH+]4CCOCC4)cc3)C2)cc1 ZINC001174394029 907000123 /nfs/dbraw/zinc/00/01/23/907000123.db2.gz CYIJMVDSQZNXLY-UHFFFAOYSA-N 2 1 377.532 3.763 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnc(Cl)s2)CC1 ZINC000181643949 907045559 /nfs/dbraw/zinc/04/55/59/907045559.db2.gz JHYRVVFZCHTRNN-ZDUSSCGKSA-N 2 1 382.936 3.928 20 0 GHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000181996628 907110830 /nfs/dbraw/zinc/11/08/30/907110830.db2.gz YWRAWTBHVZUWKJ-ROUUACIJSA-N 2 1 381.520 3.717 20 0 GHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000181996628 907110839 /nfs/dbraw/zinc/11/08/39/907110839.db2.gz YWRAWTBHVZUWKJ-ROUUACIJSA-N 2 1 381.520 3.717 20 0 GHADMP C/C=C\C[C@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001175052497 907355520 /nfs/dbraw/zinc/35/55/20/907355520.db2.gz GCAASHXLAOBLTB-BNOLWBGWSA-N 2 1 383.580 3.708 20 0 GHADMP C/C=C\C[C@H]1CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001175052497 907355541 /nfs/dbraw/zinc/35/55/41/907355541.db2.gz GCAASHXLAOBLTB-BNOLWBGWSA-N 2 1 383.580 3.708 20 0 GHADMP COc1ccc([C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)cc1 ZINC001175460744 907583663 /nfs/dbraw/zinc/58/36/63/907583663.db2.gz DLEXHJNHNUHZRG-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP COc1ccc([C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)cc1 ZINC001175460744 907583674 /nfs/dbraw/zinc/58/36/74/907583674.db2.gz DLEXHJNHNUHZRG-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001175689701 907695048 /nfs/dbraw/zinc/69/50/48/907695048.db2.gz VJUMHPUHQNSFCU-UHFFFAOYSA-N 2 1 382.430 3.852 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001175689701 907695054 /nfs/dbraw/zinc/69/50/54/907695054.db2.gz VJUMHPUHQNSFCU-UHFFFAOYSA-N 2 1 382.430 3.852 20 0 GHADMP C[C@@H]1C[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)CCN1c1cc[nH+]cc1 ZINC001175767963 907733713 /nfs/dbraw/zinc/73/37/13/907733713.db2.gz KOEWUQNLWMUSKV-MRXNPFEDSA-N 2 1 387.911 3.650 20 0 GHADMP C[C@@H]1C[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)CCN1c1cc[nH+]cc1 ZINC001175767963 907733720 /nfs/dbraw/zinc/73/37/20/907733720.db2.gz KOEWUQNLWMUSKV-MRXNPFEDSA-N 2 1 387.911 3.650 20 0 GHADMP c1cc(C[NH+]2CCOCC2)cc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001175859562 907800295 /nfs/dbraw/zinc/80/02/95/907800295.db2.gz NSFUHMNLAALVSY-UHFFFAOYSA-N 2 1 381.520 3.737 20 0 GHADMP FC(F)(F)c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631680838 907802106 /nfs/dbraw/zinc/80/21/06/907802106.db2.gz SUMAXTPTMLFQHG-OAHLLOKOSA-N 2 1 381.442 3.572 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@H](C)C1 ZINC000186383416 907917029 /nfs/dbraw/zinc/91/70/29/907917029.db2.gz KZMZVUCRDDOBJP-XLIONFOSSA-N 2 1 376.541 3.558 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366220082 921387960 /nfs/dbraw/zinc/38/79/60/921387960.db2.gz COEGUVYXEQCOPF-GZGNHOFSSA-N 2 1 392.591 3.794 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1 ZINC000634089332 908598234 /nfs/dbraw/zinc/59/82/34/908598234.db2.gz GSVBELNPABZGRC-UHFFFAOYSA-N 2 1 383.540 3.634 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177626732 908679961 /nfs/dbraw/zinc/67/99/61/908679961.db2.gz RCUKCQCRWFNEGI-YADHBBJMSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177626732 908679966 /nfs/dbraw/zinc/67/99/66/908679966.db2.gz RCUKCQCRWFNEGI-YADHBBJMSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177626732 908679974 /nfs/dbraw/zinc/67/99/74/908679974.db2.gz RCUKCQCRWFNEGI-YADHBBJMSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177626732 908679980 /nfs/dbraw/zinc/67/99/80/908679980.db2.gz RCUKCQCRWFNEGI-YADHBBJMSA-N 2 1 395.547 3.661 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nccc4c3CCCC4)CC2)cs1 ZINC001177855540 908779049 /nfs/dbraw/zinc/77/90/49/908779049.db2.gz YJPOTANGYOOUGX-UHFFFAOYSA-N 2 1 384.593 3.981 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000266795080 909303830 /nfs/dbraw/zinc/30/38/30/909303830.db2.gz MPRSXNDEAUHPKC-JDMFINLCSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000266795080 909303841 /nfs/dbraw/zinc/30/38/41/909303841.db2.gz MPRSXNDEAUHPKC-JDMFINLCSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000266795080 909303856 /nfs/dbraw/zinc/30/38/56/909303856.db2.gz MPRSXNDEAUHPKC-JDMFINLCSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC001179081279 909377971 /nfs/dbraw/zinc/37/79/71/909377971.db2.gz DBMBSULWSAOTSN-UHFFFAOYSA-N 2 1 396.417 3.981 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@]3(C)C3CCCCC3)CC2)CC1 ZINC000636383916 909566323 /nfs/dbraw/zinc/56/63/23/909566323.db2.gz BAPVDSUISWPLBF-QHCPKHFHSA-N 2 1 375.601 3.754 20 0 GHADMP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCCC1 ZINC001179721133 909680936 /nfs/dbraw/zinc/68/09/36/909680936.db2.gz FLJAMNCACJZHBA-XZOQPEGZSA-N 2 1 391.559 3.645 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000268770480 910006973 /nfs/dbraw/zinc/00/69/73/910006973.db2.gz PSKYIKSDEYJSTH-HYBUGGRVSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000268770480 910006989 /nfs/dbraw/zinc/00/69/89/910006989.db2.gz PSKYIKSDEYJSTH-HYBUGGRVSA-N 2 1 391.559 3.952 20 0 GHADMP CC(C)(C)[C@]1(CN2CC[NH+](C3CCOCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638109065 910054774 /nfs/dbraw/zinc/05/47/74/910054774.db2.gz RBZQYASMPURZHB-VWLOTQADSA-N 2 1 399.623 3.721 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001180266947 910055586 /nfs/dbraw/zinc/05/55/86/910055586.db2.gz IRXWZQPPNFGQEE-OAQYLSRUSA-N 2 1 387.568 3.699 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001180266947 910055602 /nfs/dbraw/zinc/05/56/02/910055602.db2.gz IRXWZQPPNFGQEE-OAQYLSRUSA-N 2 1 387.568 3.699 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001180266947 910055617 /nfs/dbraw/zinc/05/56/17/910055617.db2.gz IRXWZQPPNFGQEE-OAQYLSRUSA-N 2 1 387.568 3.699 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000268896527 910062235 /nfs/dbraw/zinc/06/22/35/910062235.db2.gz LMBJDQKGFDNLMR-QGZVFWFLSA-N 2 1 395.522 3.702 20 0 GHADMP CCN(CC)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001274451097 910067522 /nfs/dbraw/zinc/06/75/22/910067522.db2.gz KWRVRONQFWINGQ-FPOVZHCZSA-N 2 1 377.960 3.667 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1 ZINC000638351140 910129800 /nfs/dbraw/zinc/12/98/00/910129800.db2.gz FFIOUFRVXOHBDU-UHFFFAOYSA-N 2 1 395.591 3.740 20 0 GHADMP O=C1[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038591 910295200 /nfs/dbraw/zinc/29/52/00/910295200.db2.gz LQDLXZKRQPOTDE-WWPVKYPJSA-N 2 1 390.531 3.535 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000639087100 910310889 /nfs/dbraw/zinc/31/08/89/910310889.db2.gz CLSHYDULCDYUMX-UNMCSNQZSA-N 2 1 379.552 3.645 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000639087100 910310900 /nfs/dbraw/zinc/31/09/00/910310900.db2.gz CLSHYDULCDYUMX-UNMCSNQZSA-N 2 1 379.552 3.645 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000639087098 910311483 /nfs/dbraw/zinc/31/14/83/910311483.db2.gz CLSHYDULCDYUMX-IRLDBZIGSA-N 2 1 379.552 3.645 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000639087098 910311498 /nfs/dbraw/zinc/31/14/98/910311498.db2.gz CLSHYDULCDYUMX-IRLDBZIGSA-N 2 1 379.552 3.645 20 0 GHADMP CO[C@H](CN(CCCn1ccnc1)Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000639167907 910338169 /nfs/dbraw/zinc/33/81/69/910338169.db2.gz MLZQZOSIYRUMLF-OXQOHEQNSA-N 2 1 395.906 3.619 20 0 GHADMP c1ccc(C(C[NH+]2CCC[C@@H]3COCC[C@@H]32)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516318 910479927 /nfs/dbraw/zinc/47/99/27/910479927.db2.gz QVVIPRJITMFSSM-SDZTWWDVSA-N 2 1 398.591 3.772 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000270328450 910521697 /nfs/dbraw/zinc/52/16/97/910521697.db2.gz KVCDGBHXJGOITO-INIZCTEOSA-N 2 1 384.442 3.555 20 0 GHADMP CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000270328450 910521709 /nfs/dbraw/zinc/52/17/09/910521709.db2.gz KVCDGBHXJGOITO-INIZCTEOSA-N 2 1 384.442 3.555 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000270328450 910521727 /nfs/dbraw/zinc/52/17/27/910521727.db2.gz KVCDGBHXJGOITO-INIZCTEOSA-N 2 1 384.442 3.555 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000270328450 910521736 /nfs/dbraw/zinc/52/17/36/910521736.db2.gz KVCDGBHXJGOITO-INIZCTEOSA-N 2 1 384.442 3.555 20 0 GHADMP COc1ccccc1-c1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639681664 910611993 /nfs/dbraw/zinc/61/19/93/910611993.db2.gz AAPDGUZUKFFHEB-UHFFFAOYSA-N 2 1 380.517 3.926 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639681664 910612004 /nfs/dbraw/zinc/61/20/04/910612004.db2.gz AAPDGUZUKFFHEB-UHFFFAOYSA-N 2 1 380.517 3.926 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001181244130 910625378 /nfs/dbraw/zinc/62/53/78/910625378.db2.gz NATYMAWXTAOANA-PXNSSMCTSA-N 2 1 378.582 3.613 20 0 GHADMP Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639776775 910657348 /nfs/dbraw/zinc/65/73/48/910657348.db2.gz FRNJAKCMDPBNNG-YADHBBJMSA-N 2 1 394.498 3.946 20 0 GHADMP Fc1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1CN1CCC[C@H]1c1cn[nH]c1 ZINC000639776775 910657355 /nfs/dbraw/zinc/65/73/55/910657355.db2.gz FRNJAKCMDPBNNG-YADHBBJMSA-N 2 1 394.498 3.946 20 0 GHADMP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270845013 910716553 /nfs/dbraw/zinc/71/65/53/910716553.db2.gz FTJDJGOQVAKRIE-UHFFFAOYSA-N 2 1 382.552 3.640 20 0 GHADMP O=C(CC1CC[NH+](Cc2ccccc2)CC1)Nc1ccnn1-c1cc[nH+]cc1 ZINC001182038949 911140809 /nfs/dbraw/zinc/14/08/09/911140809.db2.gz PYUADTFMSMXRTG-UHFFFAOYSA-N 2 1 375.476 3.508 20 0 GHADMP CCCC[N@H+](CC)[C@H](C(=O)N[C@H]1CC[NH+](Cc2cccnc2)C1)c1ccccc1 ZINC001182238249 911356704 /nfs/dbraw/zinc/35/67/04/911356704.db2.gz VXHQSQLPXFGBKD-GOTSBHOMSA-N 2 1 394.563 3.635 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@H]1CC[NH+](Cc2cccnc2)C1)c1ccccc1 ZINC001182238249 911356723 /nfs/dbraw/zinc/35/67/23/911356723.db2.gz VXHQSQLPXFGBKD-GOTSBHOMSA-N 2 1 394.563 3.635 20 0 GHADMP CCCC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC001182238249 911356743 /nfs/dbraw/zinc/35/67/43/911356743.db2.gz VXHQSQLPXFGBKD-GOTSBHOMSA-N 2 1 394.563 3.635 20 0 GHADMP CCCC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC001182238249 911356762 /nfs/dbraw/zinc/35/67/62/911356762.db2.gz VXHQSQLPXFGBKD-GOTSBHOMSA-N 2 1 394.563 3.635 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000641728819 911496768 /nfs/dbraw/zinc/49/67/68/911496768.db2.gz ZQKBFDZJLNRNQF-VQIMIIECSA-N 2 1 378.442 3.855 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000641728819 911496773 /nfs/dbraw/zinc/49/67/73/911496773.db2.gz ZQKBFDZJLNRNQF-VQIMIIECSA-N 2 1 378.442 3.855 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001182345750 911517313 /nfs/dbraw/zinc/51/73/13/911517313.db2.gz OQRZNPTZGQHJDJ-FCHUYYIVSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001182345750 911517317 /nfs/dbraw/zinc/51/73/17/911517317.db2.gz OQRZNPTZGQHJDJ-FCHUYYIVSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182345750 911517323 /nfs/dbraw/zinc/51/73/23/911517323.db2.gz OQRZNPTZGQHJDJ-FCHUYYIVSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[NH+](C)C)cc1 ZINC001182482569 911833921 /nfs/dbraw/zinc/83/39/21/911833921.db2.gz RCOGRVYXUYTQIB-XZOQPEGZSA-N 2 1 379.548 3.837 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1cc(F)ccc1F ZINC000092821563 911839159 /nfs/dbraw/zinc/83/91/59/911839159.db2.gz JLEGYOGWRYTKRS-NRFANRHFSA-N 2 1 375.463 3.632 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001182569407 911874953 /nfs/dbraw/zinc/87/49/53/911874953.db2.gz OZJLUPNXCZQXDA-DNVJHFABSA-N 2 1 385.596 3.770 20 0 GHADMP Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC001182786730 912051017 /nfs/dbraw/zinc/05/10/17/912051017.db2.gz SFUUAGZJWGKTRC-XZOQPEGZSA-N 2 1 393.575 3.715 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1O ZINC000248487493 912142103 /nfs/dbraw/zinc/14/21/03/912142103.db2.gz GDJRLCUYRVYXLD-QLFBSQMISA-N 2 1 385.346 3.695 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](C)C1 ZINC001182939776 912172221 /nfs/dbraw/zinc/17/22/21/912172221.db2.gz VMPSMDAWUCZUAB-QPPBQGQZSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](C)C1 ZINC001182939776 912172230 /nfs/dbraw/zinc/17/22/30/912172230.db2.gz VMPSMDAWUCZUAB-QPPBQGQZSA-N 2 1 393.575 3.924 20 0 GHADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183529 915076342 /nfs/dbraw/zinc/07/63/42/915076342.db2.gz AHGMQARUBQATMD-VXKWHMMOSA-N 2 1 389.543 3.858 20 0 GHADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183529 915076364 /nfs/dbraw/zinc/07/63/64/915076364.db2.gz AHGMQARUBQATMD-VXKWHMMOSA-N 2 1 389.543 3.858 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccs1 ZINC000647334804 915159444 /nfs/dbraw/zinc/15/94/44/915159444.db2.gz SGDJIBHXGICENC-DSKINZAPSA-N 2 1 385.577 3.643 20 0 GHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344537 915164883 /nfs/dbraw/zinc/16/48/83/915164883.db2.gz TVDWZPFLGNVXRO-VSKRKVRLSA-N 2 1 382.548 3.960 20 0 GHADMP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480624 915292921 /nfs/dbraw/zinc/29/29/21/915292921.db2.gz VKODBZJFXLGLLK-APWZRJJASA-N 2 1 389.341 3.599 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480624 915292992 /nfs/dbraw/zinc/29/29/92/915292992.db2.gz VKODBZJFXLGLLK-APWZRJJASA-N 2 1 389.341 3.599 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479513 915293150 /nfs/dbraw/zinc/29/31/50/915293150.db2.gz JSOLVDOETODIGQ-PGRDOPGGSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479513 915293163 /nfs/dbraw/zinc/29/31/63/915293163.db2.gz JSOLVDOETODIGQ-PGRDOPGGSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479511 915293283 /nfs/dbraw/zinc/29/32/83/915293283.db2.gz JSOLVDOETODIGQ-AVRDEDQJSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479511 915293294 /nfs/dbraw/zinc/29/32/94/915293294.db2.gz JSOLVDOETODIGQ-AVRDEDQJSA-N 2 1 381.520 3.633 20 0 GHADMP FC(F)Oc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482569 915296656 /nfs/dbraw/zinc/29/66/56/915296656.db2.gz QBLIOBWLJJUORS-UHFFFAOYSA-N 2 1 375.257 3.767 20 0 GHADMP FC(F)Oc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482569 915296714 /nfs/dbraw/zinc/29/67/14/915296714.db2.gz QBLIOBWLJJUORS-UHFFFAOYSA-N 2 1 375.257 3.767 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543553 915318392 /nfs/dbraw/zinc/31/83/92/915318392.db2.gz PHADKSYJPGLBRM-PMACEKPBSA-N 2 1 395.547 3.881 20 0 GHADMP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543777 915320305 /nfs/dbraw/zinc/32/03/05/915320305.db2.gz RVAAHJYFPRUHDL-DLBZAZTESA-N 2 1 385.533 3.750 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Cc1ccccc1 ZINC000647987340 915465507 /nfs/dbraw/zinc/46/55/07/915465507.db2.gz UIMRFRYZOVTJCZ-FCHUYYIVSA-N 2 1 377.532 3.537 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000292207066 915561191 /nfs/dbraw/zinc/56/11/91/915561191.db2.gz YQRLBHHUWNMJRG-OAHLLOKOSA-N 2 1 384.351 3.606 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000648791619 915882433 /nfs/dbraw/zinc/88/24/33/915882433.db2.gz GNFNOTLHVXGIHK-SBHAEUEKSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000648791619 915882444 /nfs/dbraw/zinc/88/24/44/915882444.db2.gz GNFNOTLHVXGIHK-SBHAEUEKSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000648904830 915931981 /nfs/dbraw/zinc/93/19/81/915931981.db2.gz VRSDMRHKACUEFF-FXAWDEMLSA-N 2 1 386.540 3.603 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000648909251 915935111 /nfs/dbraw/zinc/93/51/11/915935111.db2.gz KGYIQEAZZHUPQO-FPOVZHCZSA-N 2 1 382.552 3.815 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000648909251 915935121 /nfs/dbraw/zinc/93/51/21/915935121.db2.gz KGYIQEAZZHUPQO-FPOVZHCZSA-N 2 1 382.552 3.815 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000649330014 916102546 /nfs/dbraw/zinc/10/25/46/916102546.db2.gz PPMZQTNEIGIJFF-KNQAVFIVSA-N 2 1 394.563 3.538 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649378589 916129612 /nfs/dbraw/zinc/12/96/12/916129612.db2.gz LQFXEQQVNSVYJV-JXFKEZNVSA-N 2 1 377.960 3.843 20 0 GHADMP FC1(F)C(F)(F)C12CC[NH+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000649709501 916348242 /nfs/dbraw/zinc/34/82/42/916348242.db2.gz OKUSBUMVONDSPT-UHFFFAOYSA-N 2 1 385.449 3.565 20 0 GHADMP c1oc(-c2ccccc2)nc1CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000361240227 916590684 /nfs/dbraw/zinc/59/06/84/916590684.db2.gz GPZMQHKBLFTWJF-UNMCSNQZSA-N 2 1 380.536 3.522 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294682977 916931641 /nfs/dbraw/zinc/93/16/41/916931641.db2.gz SQOLTGOHSOJPMJ-YZVAWVHESA-N 2 1 387.543 3.730 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000294682977 916931647 /nfs/dbraw/zinc/93/16/47/916931647.db2.gz SQOLTGOHSOJPMJ-YZVAWVHESA-N 2 1 387.543 3.730 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417761 916971088 /nfs/dbraw/zinc/97/10/88/916971088.db2.gz ZFLPLFOVVPROAH-SFHVURJKSA-N 2 1 390.597 3.728 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cc2)C[C@H](C)O1 ZINC000775365215 917192518 /nfs/dbraw/zinc/19/25/18/917192518.db2.gz PMOMOIDQXHSZKB-DPDIENECSA-N 2 1 392.634 3.765 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2)cc1 ZINC000650709415 917245513 /nfs/dbraw/zinc/24/55/13/917245513.db2.gz ZENAVRULZPAQFL-CVDCTZTESA-N 2 1 379.504 3.508 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)C1 ZINC000650707900 917245824 /nfs/dbraw/zinc/24/58/24/917245824.db2.gz PMTQKDDQEYPMJD-MISXGVKJSA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)C1 ZINC000650707900 917245832 /nfs/dbraw/zinc/24/58/32/917245832.db2.gz PMTQKDDQEYPMJD-MISXGVKJSA-N 2 1 393.778 3.882 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000295614949 917381558 /nfs/dbraw/zinc/38/15/58/917381558.db2.gz GOSJGMUENMFVNK-ACJLOTCBSA-N 2 1 397.332 3.666 20 0 GHADMP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716659101 917571733 /nfs/dbraw/zinc/57/17/33/917571733.db2.gz ZDCYNIMUGGPGEM-JYJNAYRXSA-N 2 1 378.385 3.801 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651678080 917691956 /nfs/dbraw/zinc/69/19/56/917691956.db2.gz AYENUQRYBHCFFB-IBGZPJMESA-N 2 1 375.520 3.932 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651678080 917691960 /nfs/dbraw/zinc/69/19/60/917691960.db2.gz AYENUQRYBHCFFB-IBGZPJMESA-N 2 1 375.520 3.932 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccccn2)cc1 ZINC000652140997 917813017 /nfs/dbraw/zinc/81/30/17/917813017.db2.gz BUQFMLOGSISNQW-XMMPIXPASA-N 2 1 391.515 3.910 20 0 GHADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)cc1I ZINC001191175253 917831246 /nfs/dbraw/zinc/83/12/46/917831246.db2.gz RLXPQSDWNLPXNY-OAHLLOKOSA-N 2 1 386.321 3.682 20 0 GHADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C)cc1I ZINC001191175253 917831253 /nfs/dbraw/zinc/83/12/53/917831253.db2.gz RLXPQSDWNLPXNY-OAHLLOKOSA-N 2 1 386.321 3.682 20 0 GHADMP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C)cc1I ZINC001191175253 917831258 /nfs/dbraw/zinc/83/12/58/917831258.db2.gz RLXPQSDWNLPXNY-OAHLLOKOSA-N 2 1 386.321 3.682 20 0 GHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)n2)cc1 ZINC000652347093 917877093 /nfs/dbraw/zinc/87/70/93/917877093.db2.gz RHPXRWZRSXJBFL-XUVXKRRUSA-N 2 1 384.524 3.578 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cs2)c1 ZINC000652363088 917882111 /nfs/dbraw/zinc/88/21/11/917882111.db2.gz XPCQWFMTGGLQMX-NSISKUIASA-N 2 1 387.549 3.680 20 0 GHADMP COc1ccc(C[C@@H]([NH2+]CCCc2c[nH+]cn2C)c2ccc(OC)cc2)cc1 ZINC000653572402 918318247 /nfs/dbraw/zinc/31/82/47/918318247.db2.gz BWUWSKCRANKLRZ-HSZRJFAPSA-N 2 1 379.504 3.944 20 0 GHADMP CCN(CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000775502415 918456462 /nfs/dbraw/zinc/45/64/62/918456462.db2.gz WFPFFWSAEGGKDN-AZUAARDMSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000653871952 918562436 /nfs/dbraw/zinc/56/24/36/918562436.db2.gz YZOAWPCPDMZPSV-ABSDTBQOSA-N 2 1 393.522 3.569 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@@H](C)C1 ZINC000363778797 918847891 /nfs/dbraw/zinc/84/78/91/918847891.db2.gz CGMVAONXVZDTPI-AVRDEDQJSA-N 2 1 382.552 3.626 20 0 GHADMP Cc1cc(NC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)cn2cc[nH+]c12 ZINC000297040933 918999242 /nfs/dbraw/zinc/99/92/42/918999242.db2.gz RRVWAUIWZVGYCR-FQEVSTJZSA-N 2 1 392.507 3.556 20 0 GHADMP Cc1cc(NC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)cn2cc[nH+]c12 ZINC000297040933 918999246 /nfs/dbraw/zinc/99/92/46/918999246.db2.gz RRVWAUIWZVGYCR-FQEVSTJZSA-N 2 1 392.507 3.556 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654600021 919242737 /nfs/dbraw/zinc/24/27/37/919242737.db2.gz CWUCVBQYKHIDCM-DEOSSOPVSA-N 2 1 391.559 3.537 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2nc(Cl)ccc21 ZINC000297926507 919968244 /nfs/dbraw/zinc/96/82/44/919968244.db2.gz XKHBCARQTLTPFG-SXLOBPIMSA-N 2 1 385.939 3.585 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000800366206 919970562 /nfs/dbraw/zinc/97/05/62/919970562.db2.gz XUQJXSQAZWZDFS-UHFFFAOYSA-N 2 1 399.579 3.841 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(Cl)cn3)CC2)c1C ZINC000364874191 920129731 /nfs/dbraw/zinc/12/97/31/920129731.db2.gz XMUWYJXNTGTEIO-UHFFFAOYSA-N 2 1 388.943 3.852 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(Cl)cn3)CC2)c1C ZINC000364874191 920129739 /nfs/dbraw/zinc/12/97/39/920129739.db2.gz XMUWYJXNTGTEIO-UHFFFAOYSA-N 2 1 388.943 3.852 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(C[NH+]2CC[C@]3(C2)CCCOC3)c1 ZINC000367450700 922112861 /nfs/dbraw/zinc/11/28/61/922112861.db2.gz PEGDAUSIMMMYPU-ZEQRLZLVSA-N 2 1 384.564 3.692 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000367539387 922181942 /nfs/dbraw/zinc/18/19/42/922181942.db2.gz ZEHTXVAYJNRNQH-MHZLTWQESA-N 2 1 388.552 3.501 20 0 GHADMP CC(C)(C)OC(=O)NCCC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000902993671 922694676 /nfs/dbraw/zinc/69/46/76/922694676.db2.gz VLDITXQQRLRDET-ROUUACIJSA-N 2 1 384.524 3.903 20 0 GHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000368509388 922718835 /nfs/dbraw/zinc/71/88/35/922718835.db2.gz AMWQYDQZMKODHU-ZDUSSCGKSA-N 2 1 389.297 3.779 20 0 GHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000368509388 922718842 /nfs/dbraw/zinc/71/88/42/922718842.db2.gz AMWQYDQZMKODHU-ZDUSSCGKSA-N 2 1 389.297 3.779 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)CC[N@H+]2C2CC2)c1 ZINC000903146211 922807305 /nfs/dbraw/zinc/80/73/05/922807305.db2.gz DUEDAAFUINEHIX-UESBPSBZSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC[NH+]2C2CC2)c1 ZINC000903146211 922807317 /nfs/dbraw/zinc/80/73/17/922807317.db2.gz DUEDAAFUINEHIX-UESBPSBZSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC[NH+]2C2CC2)c1 ZINC000903146211 922807323 /nfs/dbraw/zinc/80/73/23/922807323.db2.gz DUEDAAFUINEHIX-UESBPSBZSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@@H]2[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146211 922807331 /nfs/dbraw/zinc/80/73/31/922807331.db2.gz DUEDAAFUINEHIX-UESBPSBZSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@@H]2[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146211 922807339 /nfs/dbraw/zinc/80/73/39/922807339.db2.gz DUEDAAFUINEHIX-UESBPSBZSA-N 2 1 381.564 3.720 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000369137965 923141571 /nfs/dbraw/zinc/14/15/71/923141571.db2.gz DNVHUZUEKSLQPG-DNJQPREOSA-N 2 1 398.595 3.698 20 0 GHADMP FC(F)(F)c1cc(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955532 923433653 /nfs/dbraw/zinc/43/36/53/923433653.db2.gz UMDZUDLNXNGSHV-LLVKDONJSA-N 2 1 387.190 3.802 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2COc4ccccc4O2)CC3)cc1 ZINC000677819735 924509793 /nfs/dbraw/zinc/50/97/93/924509793.db2.gz OJOWYQCXEAFPQL-NRFANRHFSA-N 2 1 378.516 3.815 20 0 GHADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000678211879 924666214 /nfs/dbraw/zinc/66/62/14/924666214.db2.gz NXAKWVATXKOMSO-DEOSSOPVSA-N 2 1 380.532 3.907 20 0 GHADMP CCC[N@H+](Cc1nn(C)c2ccccc12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000678266881 924696436 /nfs/dbraw/zinc/69/64/36/924696436.db2.gz NOTBPMPKEOOLNN-UHFFFAOYSA-N 2 1 392.551 3.861 20 0 GHADMP CCC[N@@H+](Cc1nn(C)c2ccccc12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000678266881 924696444 /nfs/dbraw/zinc/69/64/44/924696444.db2.gz NOTBPMPKEOOLNN-UHFFFAOYSA-N 2 1 392.551 3.861 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000371644644 924741658 /nfs/dbraw/zinc/74/16/58/924741658.db2.gz CFZNNQJTWCUWDP-KNKQGSTJSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000371644644 924741665 /nfs/dbraw/zinc/74/16/65/924741665.db2.gz CFZNNQJTWCUWDP-KNKQGSTJSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000371644644 924741671 /nfs/dbraw/zinc/74/16/71/924741671.db2.gz CFZNNQJTWCUWDP-KNKQGSTJSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000371644646 924741780 /nfs/dbraw/zinc/74/17/80/924741780.db2.gz CFZNNQJTWCUWDP-XQBPLPMBSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000371644646 924741785 /nfs/dbraw/zinc/74/17/85/924741785.db2.gz CFZNNQJTWCUWDP-XQBPLPMBSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000371644646 924741791 /nfs/dbraw/zinc/74/17/91/924741791.db2.gz CFZNNQJTWCUWDP-XQBPLPMBSA-N 2 1 384.568 3.504 20 0 GHADMP COc1ccc(COCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000678548961 924819225 /nfs/dbraw/zinc/81/92/25/924819225.db2.gz QDZODZZVSIXMGQ-UHFFFAOYSA-N 2 1 386.511 3.648 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000679042659 925008032 /nfs/dbraw/zinc/00/80/32/925008032.db2.gz CDBLXIFWZGURTM-ZODMCCGTSA-N 2 1 399.623 3.646 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000679174112 925051862 /nfs/dbraw/zinc/05/18/62/925051862.db2.gz HTRMTNZBKHGFCT-HXUWFJFHSA-N 2 1 386.584 3.876 20 0 GHADMP Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(N2CCCC2)[nH+]1 ZINC000679699653 925235668 /nfs/dbraw/zinc/23/56/68/925235668.db2.gz FGOIPXYKZGLDJE-UHFFFAOYSA-N 2 1 392.547 3.519 20 0 GHADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000679818967 925273602 /nfs/dbraw/zinc/27/36/02/925273602.db2.gz CGRLBROEKDIVEB-MRXNPFEDSA-N 2 1 396.373 3.668 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000410347532 925567613 /nfs/dbraw/zinc/56/76/13/925567613.db2.gz OXJPPSKGPJUYEU-FQEVSTJZSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000410369574 925588581 /nfs/dbraw/zinc/58/85/81/925588581.db2.gz RKTYBQIECAUCED-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000410369574 925588584 /nfs/dbraw/zinc/58/85/84/925588584.db2.gz RKTYBQIECAUCED-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000410369574 925588586 /nfs/dbraw/zinc/58/85/86/925588586.db2.gz RKTYBQIECAUCED-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1cc(Cl)ccc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000681098798 925723177 /nfs/dbraw/zinc/72/31/77/925723177.db2.gz HLDROTZJMDYLAS-QZTJIDSGSA-N 2 1 380.960 3.739 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000827622319 925843717 /nfs/dbraw/zinc/84/37/17/925843717.db2.gz VGISHZWJZINICE-PISNEZEASA-N 2 1 394.515 3.858 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000827622319 925843725 /nfs/dbraw/zinc/84/37/25/925843725.db2.gz VGISHZWJZINICE-PISNEZEASA-N 2 1 394.515 3.858 20 0 GHADMP CC(CC[NH+]1CC[C@H](C2CCOCC2)C1)CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000411405663 926360812 /nfs/dbraw/zinc/36/08/12/926360812.db2.gz HLKOWTNXOKIZLM-ZEQRLZLVSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000398166671 926487481 /nfs/dbraw/zinc/48/74/81/926487481.db2.gz HCCZLKSJMRFEPQ-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000398166671 926487486 /nfs/dbraw/zinc/48/74/86/926487486.db2.gz HCCZLKSJMRFEPQ-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000411535745 926497250 /nfs/dbraw/zinc/49/72/50/926497250.db2.gz GKDFDYQEVJSGFB-GZOXUSKESA-N 2 1 379.548 3.786 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)c2cc1C(C)C ZINC000749546892 927182083 /nfs/dbraw/zinc/18/20/83/927182083.db2.gz SPSRAVNXBCRBIR-QTGUNEKASA-N 2 1 398.547 3.908 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)c2cc1C(C)C ZINC000749546892 927182090 /nfs/dbraw/zinc/18/20/90/927182090.db2.gz SPSRAVNXBCRBIR-QTGUNEKASA-N 2 1 398.547 3.908 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000753292752 929289308 /nfs/dbraw/zinc/28/93/08/929289308.db2.gz AESPDOBWBWKIBC-MRXNPFEDSA-N 2 1 377.916 3.574 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CCCC1)c1ccccc1 ZINC000544624750 929359833 /nfs/dbraw/zinc/35/98/33/929359833.db2.gz JHFNHICJFANLAQ-SFHVURJKSA-N 2 1 380.536 3.542 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)C(N)=O)C1CCCCC1 ZINC000544639055 929376743 /nfs/dbraw/zinc/37/67/43/929376743.db2.gz AMVHQAFBYRSTER-QHCPKHFHSA-N 2 1 379.548 3.637 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467848403 929505503 /nfs/dbraw/zinc/50/55/03/929505503.db2.gz CSJOIXSTRJQQAG-UZLBHIALSA-N 2 1 378.438 3.993 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467848403 929505511 /nfs/dbraw/zinc/50/55/11/929505511.db2.gz CSJOIXSTRJQQAG-UZLBHIALSA-N 2 1 378.438 3.993 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(-c3ccccc3)nn2)C[N@H+]1Cc1ccccc1 ZINC000753850360 929562781 /nfs/dbraw/zinc/56/27/81/929562781.db2.gz KTVZKDDURMLPOE-PZJWPPBQSA-N 2 1 375.520 3.658 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@@H](C)C1 ZINC000469208773 929691476 /nfs/dbraw/zinc/69/14/76/929691476.db2.gz XAAMBGIXXZIAAE-FUHWJXTLSA-N 2 1 385.508 3.711 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@@H](C)C1 ZINC000469208773 929691481 /nfs/dbraw/zinc/69/14/81/929691481.db2.gz XAAMBGIXXZIAAE-FUHWJXTLSA-N 2 1 385.508 3.711 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469756657 930138855 /nfs/dbraw/zinc/13/88/55/930138855.db2.gz HXVYHAARFHUXGV-AQNXPRMDSA-N 2 1 391.559 3.710 20 0 GHADMP CC[NH+](CC)CCSCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469835358 930192677 /nfs/dbraw/zinc/19/26/77/930192677.db2.gz FDZQNFGXGQOTFF-PZJWPPBQSA-N 2 1 391.625 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH+]2CCC(CC[NH2+]C)CC2)cc1OC ZINC000469848075 930201206 /nfs/dbraw/zinc/20/12/06/930201206.db2.gz FJXVTGHZYBLCDU-UHFFFAOYSA-N 2 1 385.346 3.678 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)[C@@H](C)C1 ZINC000470093221 930371761 /nfs/dbraw/zinc/37/17/61/930371761.db2.gz XWFDWGHFUMNUMX-JXFKEZNVSA-N 2 1 383.502 3.990 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000759773741 930484576 /nfs/dbraw/zinc/48/45/76/930484576.db2.gz HXKCXMLUAFJRFX-GOSISDBHSA-N 2 1 378.561 3.805 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000759773741 930484583 /nfs/dbraw/zinc/48/45/83/930484583.db2.gz HXKCXMLUAFJRFX-GOSISDBHSA-N 2 1 378.561 3.805 20 0 GHADMP CC1(C)C[NH+](CCCCCCCCC[N@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000782580581 931276047 /nfs/dbraw/zinc/27/60/47/931276047.db2.gz YNDFOZBLEXMDDU-SFTDATJTSA-N 2 1 382.633 3.903 20 0 GHADMP [NH3+]C[C@H](NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCCC1 ZINC000557213610 931276565 /nfs/dbraw/zinc/27/65/65/931276565.db2.gz FXEAOJUERZGQPL-QFIPXVFZSA-N 2 1 398.595 3.592 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000777513952 931324667 /nfs/dbraw/zinc/32/46/67/931324667.db2.gz NEYASRMFKPCOII-UHFFFAOYSA-N 2 1 390.535 3.720 20 0 GHADMP c1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCOCC2)cc1 ZINC000782757391 931326845 /nfs/dbraw/zinc/32/68/45/931326845.db2.gz PPJOGSIYUVWUSO-XMMPIXPASA-N 2 1 380.532 3.776 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCc3oc(C)nc32)cc1OC ZINC000924711854 931511889 /nfs/dbraw/zinc/51/18/89/931511889.db2.gz VLULNLXZUJANBK-SFHVURJKSA-N 2 1 387.524 3.879 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(Br)n1 ZINC000924860938 931565107 /nfs/dbraw/zinc/56/51/07/931565107.db2.gz HBYTZXYVXIQFDN-CQSZACIVSA-N 2 1 378.314 3.635 20 0 GHADMP Cc1cccc([C@@H]2CC(=O)N(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)c1 ZINC000783972359 931735861 /nfs/dbraw/zinc/73/58/61/931735861.db2.gz LFZMKGZVRBUAKH-HSZRJFAPSA-N 2 1 383.580 3.856 20 0 GHADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000925538942 931815341 /nfs/dbraw/zinc/81/53/41/931815341.db2.gz UOYMSEZBRLTWHT-YOSAUDMPSA-N 2 1 381.564 3.866 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124143 932056930 /nfs/dbraw/zinc/05/69/30/932056930.db2.gz HCRYGJAQFQZSPH-CYFREDJKSA-N 3 1 381.564 3.556 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000558604779 932103253 /nfs/dbraw/zinc/10/32/53/932103253.db2.gz CVXDSYUDLJRCPC-PZJWPPBQSA-N 2 1 388.600 3.564 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000558618044 932112788 /nfs/dbraw/zinc/11/27/88/932112788.db2.gz MLEZBGBYIYJBNB-QGZVFWFLSA-N 2 1 394.991 3.724 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(OC)ccc2F)CC1 ZINC000559259830 932560580 /nfs/dbraw/zinc/56/05/80/932560580.db2.gz GOHIKPOQCZJQOI-MRXNPFEDSA-N 2 1 389.490 3.966 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000798271989 932585116 /nfs/dbraw/zinc/58/51/16/932585116.db2.gz VTXZUQJMFQUGFD-QMMLZNLJSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000798271989 932585119 /nfs/dbraw/zinc/58/51/19/932585119.db2.gz VTXZUQJMFQUGFD-QMMLZNLJSA-N 2 1 387.568 3.932 20 0 GHADMP CCN(CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC000798272674 932586150 /nfs/dbraw/zinc/58/61/50/932586150.db2.gz GTHQUAOHWALHDP-UHFFFAOYSA-N 2 1 393.547 3.679 20 0 GHADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000798499116 932672298 /nfs/dbraw/zinc/67/22/98/932672298.db2.gz MSMNHABDXXWWTB-QHCPKHFHSA-N 2 1 384.520 3.714 20 0 GHADMP COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000798499116 932672305 /nfs/dbraw/zinc/67/23/05/932672305.db2.gz MSMNHABDXXWWTB-QHCPKHFHSA-N 2 1 384.520 3.714 20 0 GHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798935434 932823331 /nfs/dbraw/zinc/82/33/31/932823331.db2.gz ORBIXEKXOLZTDR-DVECYGJZSA-N 2 1 395.547 3.914 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935055 932823451 /nfs/dbraw/zinc/82/34/51/932823451.db2.gz KKXDMVUPTQSUED-XWGVYQGASA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935055 932823461 /nfs/dbraw/zinc/82/34/61/932823461.db2.gz KKXDMVUPTQSUED-XWGVYQGASA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935055 932823465 /nfs/dbraw/zinc/82/34/65/932823465.db2.gz KKXDMVUPTQSUED-XWGVYQGASA-N 2 1 387.612 3.625 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)C2)CC1 ZINC000798957283 932839706 /nfs/dbraw/zinc/83/97/06/932839706.db2.gz QLLBLTHHAKSVOL-UHFFFAOYSA-N 2 1 394.350 3.882 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)C2)CC1 ZINC000798957283 932839711 /nfs/dbraw/zinc/83/97/11/932839711.db2.gz QLLBLTHHAKSVOL-UHFFFAOYSA-N 2 1 394.350 3.882 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1CC(F)(F)F ZINC000799176887 932898099 /nfs/dbraw/zinc/89/80/99/932898099.db2.gz DYERSVMNSHSXCY-UHFFFAOYSA-N 2 1 385.474 3.658 20 0 GHADMP Cc1cc(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1CC(F)(F)F ZINC000799176887 932898104 /nfs/dbraw/zinc/89/81/04/932898104.db2.gz DYERSVMNSHSXCY-UHFFFAOYSA-N 2 1 385.474 3.658 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C2)CC1 ZINC000799178903 932900831 /nfs/dbraw/zinc/90/08/31/932900831.db2.gz QJFGFFDNPYRPSZ-UHFFFAOYSA-N 2 1 383.508 3.748 20 0 GHADMP O[C@]1(C[NH2+]CCCc2c(F)cccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000560017657 933020925 /nfs/dbraw/zinc/02/09/25/933020925.db2.gz DUHSDIKEXIUGNJ-NRFANRHFSA-N 2 1 376.903 3.638 20 0 GHADMP O[C@]1(C[NH2+]CCCc2c(F)cccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000560017657 933020931 /nfs/dbraw/zinc/02/09/31/933020931.db2.gz DUHSDIKEXIUGNJ-NRFANRHFSA-N 2 1 376.903 3.638 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799738481 933104922 /nfs/dbraw/zinc/10/49/22/933104922.db2.gz BFLSDKAZYGAERJ-GOSISDBHSA-N 2 1 399.539 3.703 20 0 GHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnc(-c3ccccc3)nc2)cc1 ZINC000560972251 933745945 /nfs/dbraw/zinc/74/59/45/933745945.db2.gz VJIQPPTYFZYMFN-IRLDBZIGSA-N 2 1 376.479 3.766 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC001116915066 933826208 /nfs/dbraw/zinc/82/62/08/933826208.db2.gz JYHIRJPDIMIAQF-QFIPXVFZSA-N 2 1 383.580 3.684 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC001118198433 934105958 /nfs/dbraw/zinc/10/59/58/934105958.db2.gz NAUKVBCZUGPAQH-OALUTQOASA-N 2 1 379.548 3.871 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@@H]1c1ccc(F)cc1 ZINC001119501798 934361330 /nfs/dbraw/zinc/36/13/30/934361330.db2.gz GOBMBLVOMQAXJR-WWNPGLIZSA-N 2 1 395.522 3.810 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@@H]1c1ccc(F)cc1 ZINC001119501798 934361340 /nfs/dbraw/zinc/36/13/40/934361340.db2.gz GOBMBLVOMQAXJR-WWNPGLIZSA-N 2 1 395.522 3.810 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@@H]1c1ccc(F)cc1 ZINC001119501798 934361350 /nfs/dbraw/zinc/36/13/50/934361350.db2.gz GOBMBLVOMQAXJR-WWNPGLIZSA-N 2 1 395.522 3.810 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@@H]1c1ccc(F)cc1 ZINC001119501798 934361360 /nfs/dbraw/zinc/36/13/60/934361360.db2.gz GOBMBLVOMQAXJR-WWNPGLIZSA-N 2 1 395.522 3.810 20 0 GHADMP CN(Cc1c(F)cncc1F)[C@H]1CC[C@H]([N@H+](C)Cc2c(F)cncc2F)CC1 ZINC000931737599 934701802 /nfs/dbraw/zinc/70/18/02/934701802.db2.gz KPLUNGUZZROXLN-HDJSIYSDSA-N 2 1 396.432 3.908 20 0 GHADMP CN(Cc1c(F)cncc1F)[C@H]1CC[C@H]([N@@H+](C)Cc2c(F)cncc2F)CC1 ZINC000931737599 934701808 /nfs/dbraw/zinc/70/18/08/934701808.db2.gz KPLUNGUZZROXLN-HDJSIYSDSA-N 2 1 396.432 3.908 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2)c1ccccc1 ZINC001122319380 934854473 /nfs/dbraw/zinc/85/44/73/934854473.db2.gz HIPZFAPNACRFFU-RBBKRZOGSA-N 2 1 393.531 3.523 20 0 GHADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[NH+]3C2)CC[N@H+]1Cc1ccccc1 ZINC001137819198 935806629 /nfs/dbraw/zinc/80/66/29/935806629.db2.gz MSFAAVZSLHGCAF-FCJDFRRUSA-N 2 1 383.580 3.620 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000829963419 935885862 /nfs/dbraw/zinc/88/58/62/935885862.db2.gz KGTOZQIGYCBJNN-QRFRQXIXSA-N 2 1 397.485 3.737 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001138040320 935944322 /nfs/dbraw/zinc/94/43/22/935944322.db2.gz GZVZIPVZGQAAKL-UHFFFAOYSA-N 2 1 393.531 3.884 20 0 GHADMP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001626111362 1014921365 /nfs/dbraw/zinc/92/13/65/1014921365.db2.gz JOILPAUGZWHELN-KKSFZXQISA-N 2 1 385.939 3.506 20 0 GHADMP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC001626111362 1014921371 /nfs/dbraw/zinc/92/13/71/1014921371.db2.gz JOILPAUGZWHELN-KKSFZXQISA-N 2 1 385.939 3.506 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000468015048 1015144377 /nfs/dbraw/zinc/14/43/77/1015144377.db2.gz ATQAIHHXKQPOLP-URVUXULASA-N 2 1 388.600 3.735 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000468015045 1015144436 /nfs/dbraw/zinc/14/44/36/1015144436.db2.gz ATQAIHHXKQPOLP-JAXLGGSGSA-N 2 1 388.600 3.735 20 0 GHADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468024294 1015158230 /nfs/dbraw/zinc/15/82/30/1015158230.db2.gz KIVIKBJPTFJSNE-SFHLNBCPSA-N 2 1 386.584 3.535 20 0 GHADMP [NH3+][C@@]12CC[C@@](NC(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)(C1)CCC2 ZINC001220779026 1032116402 /nfs/dbraw/zinc/11/64/02/1032116402.db2.gz JAWWJNTUJULRGN-BJKOFHAPSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@H]1[C@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001220859708 1032157759 /nfs/dbraw/zinc/15/77/59/1032157759.db2.gz KGLWOXSDUDHYIE-BWAGFHJFSA-N 2 1 393.575 3.976 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC001220877345 1032168180 /nfs/dbraw/zinc/16/81/80/1032168180.db2.gz SAXUFORYDUOZGZ-UGKGYDQZSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001220877345 1032168200 /nfs/dbraw/zinc/16/82/00/1032168200.db2.gz SAXUFORYDUOZGZ-UGKGYDQZSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC001220877345 1032168227 /nfs/dbraw/zinc/16/82/27/1032168227.db2.gz SAXUFORYDUOZGZ-UGKGYDQZSA-N 2 1 386.584 3.685 20 0 GHADMP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC001220918707 1032189343 /nfs/dbraw/zinc/18/93/43/1032189343.db2.gz CWAIKOAWQINACD-AEFFLSMTSA-N 2 1 383.458 3.619 20 0 GHADMP [NH3+][C@@H]1CCC[C@H](Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001154985902 1032368964 /nfs/dbraw/zinc/36/89/64/1032368964.db2.gz DYLHXJXAYYTOEN-CABCVRRESA-N 2 1 385.581 3.848 20 0 GHADMP COc1cc2ccnc(N3CC[N@H+]4CCc5ccccc5[C@H]4C3)c2cc1OC ZINC001155094458 1032411661 /nfs/dbraw/zinc/41/16/61/1032411661.db2.gz CAKRJRLAQNCUNU-HXUWFJFHSA-N 2 1 375.472 3.671 20 0 GHADMP COc1cc2ccnc(N3CCN4CCc5ccccc5[C@H]4C3)c2cc1OC ZINC001155094458 1032411665 /nfs/dbraw/zinc/41/16/65/1032411665.db2.gz CAKRJRLAQNCUNU-HXUWFJFHSA-N 2 1 375.472 3.671 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cc(C4CC4)ccn3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363950 1032520028 /nfs/dbraw/zinc/52/00/28/1032520028.db2.gz OGOSBYXSNKKTAF-JOCHJYFZSA-N 2 1 376.548 3.873 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H](CNc3cc(C4CC4)cc[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363950 1032520033 /nfs/dbraw/zinc/52/00/33/1032520033.db2.gz OGOSBYXSNKKTAF-JOCHJYFZSA-N 3 1 376.548 3.873 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cc(C4CC4)cc[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363950 1032520041 /nfs/dbraw/zinc/52/00/41/1032520041.db2.gz OGOSBYXSNKKTAF-JOCHJYFZSA-N 3 1 376.548 3.873 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001155390753 1032529068 /nfs/dbraw/zinc/52/90/68/1032529068.db2.gz REDGDPSXKDXTNB-SFTDATJTSA-N 2 1 386.584 3.979 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H](C)[NH+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815491 1032543294 /nfs/dbraw/zinc/54/32/94/1032543294.db2.gz IDKAYZWXMRZWQU-HNAYVOBHSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815491 1032543297 /nfs/dbraw/zinc/54/32/97/1032543297.db2.gz IDKAYZWXMRZWQU-HNAYVOBHSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815491 1032543300 /nfs/dbraw/zinc/54/33/00/1032543300.db2.gz IDKAYZWXMRZWQU-HNAYVOBHSA-N 2 1 380.964 3.505 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1)CC1CC1 ZINC001221911478 1032570260 /nfs/dbraw/zinc/57/02/60/1032570260.db2.gz NMHGGBWZSRJIAR-NRFANRHFSA-N 2 1 394.648 3.896 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC001221912971 1032570733 /nfs/dbraw/zinc/57/07/33/1032570733.db2.gz AUZYDVQOHYWAPQ-PMACEKPBSA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC001221913989 1032571710 /nfs/dbraw/zinc/57/17/10/1032571710.db2.gz YEXBPVMKOPDWDA-XLIONFOSSA-N 2 1 392.563 3.628 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000558492575 1017214188 /nfs/dbraw/zinc/21/41/88/1017214188.db2.gz LHRIFBWASINEHF-JOCHJYFZSA-N 3 1 389.547 3.968 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@]1(O)C(F)(F)F ZINC001204263242 1032706980 /nfs/dbraw/zinc/70/69/80/1032706980.db2.gz IQSJCYUHNHDUFV-VQIMIIECSA-N 2 1 388.474 3.542 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204269207 1032712491 /nfs/dbraw/zinc/71/24/91/1032712491.db2.gz WQXVBZVKZNUXPF-ZEQRLZLVSA-N 3 1 393.575 3.581 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204271874 1032715187 /nfs/dbraw/zinc/71/51/87/1032715187.db2.gz SDUFAWUFJSAHDO-HXUWFJFHSA-N 2 1 398.547 3.806 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)c1 ZINC001204271559 1032715334 /nfs/dbraw/zinc/71/53/34/1032715334.db2.gz NOFUSGRTGMIHQS-QFIPXVFZSA-N 2 1 383.536 3.764 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC001204288371 1032728120 /nfs/dbraw/zinc/72/81/20/1032728120.db2.gz SWMYUTGUINGMHM-GUDVDZBRSA-N 2 1 397.604 3.501 20 0 GHADMP CC[N@H+]1CC[C@H](Nc2cc(NC(=O)C[NH+]3CCCC[C@H]3C)ccc2F)[C@@H](C)C1 ZINC000561887731 1017969130 /nfs/dbraw/zinc/96/91/30/1017969130.db2.gz MATKJABBIIXWDS-QKLQHJQFSA-N 2 1 390.547 3.781 20 0 GHADMP CC[NH+]1CC[C@H](Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)[C@@H](C)C1 ZINC000561887731 1017969134 /nfs/dbraw/zinc/96/91/34/1017969134.db2.gz MATKJABBIIXWDS-QKLQHJQFSA-N 2 1 390.547 3.781 20 0 GHADMP CC[NH+]1CC[C@H](Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)[C@@H](C)C1 ZINC000561887731 1017969138 /nfs/dbraw/zinc/96/91/38/1017969138.db2.gz MATKJABBIIXWDS-QKLQHJQFSA-N 2 1 390.547 3.781 20 0 GHADMP CC(C)[C@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC12CCCCCC2 ZINC001228041562 1032748814 /nfs/dbraw/zinc/74/88/14/1032748814.db2.gz AFVSAEGHSKGGGX-TZIWHRDSSA-N 2 1 390.616 3.545 20 0 GHADMP CC(C)[C@H]1N(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041562 1032748825 /nfs/dbraw/zinc/74/88/25/1032748825.db2.gz AFVSAEGHSKGGGX-TZIWHRDSSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000563618453 1018936004 /nfs/dbraw/zinc/93/60/04/1018936004.db2.gz USAXNARAJVQJLU-WOJBJXKFSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000563618453 1018936011 /nfs/dbraw/zinc/93/60/11/1018936011.db2.gz USAXNARAJVQJLU-WOJBJXKFSA-N 2 1 388.577 3.606 20 0 GHADMP COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567612253 1019315508 /nfs/dbraw/zinc/31/55/08/1019315508.db2.gz GMUQYJZNKOSZSU-FUPPJEDESA-N 2 1 393.531 3.707 20 0 GHADMP COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567612253 1019315521 /nfs/dbraw/zinc/31/55/21/1019315521.db2.gz GMUQYJZNKOSZSU-FUPPJEDESA-N 2 1 393.531 3.707 20 0 GHADMP C[NH+](C)[C@@H]1CCOc2c(Nc3cccc(CC[NH+]4CCOCC4)c3)cccc21 ZINC001204397622 1032823274 /nfs/dbraw/zinc/82/32/74/1032823274.db2.gz OPESKADKAOAPNE-JOCHJYFZSA-N 2 1 381.520 3.690 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000572548614 1019784012 /nfs/dbraw/zinc/78/40/12/1019784012.db2.gz CXHNBFGCPRVVEN-YTFSRNRJSA-N 2 1 383.580 3.669 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001204429378 1032861692 /nfs/dbraw/zinc/86/16/92/1032861692.db2.gz DPVSCPTWFLTTOR-ICSRJNTNSA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001204429378 1032861706 /nfs/dbraw/zinc/86/17/06/1032861706.db2.gz DPVSCPTWFLTTOR-ICSRJNTNSA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001204429378 1032861722 /nfs/dbraw/zinc/86/17/22/1032861722.db2.gz DPVSCPTWFLTTOR-ICSRJNTNSA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001204429378 1032861743 /nfs/dbraw/zinc/86/17/43/1032861743.db2.gz DPVSCPTWFLTTOR-ICSRJNTNSA-N 2 1 398.469 3.766 20 0 GHADMP C[C@@H](O)[C@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000576350225 1020007617 /nfs/dbraw/zinc/00/76/17/1020007617.db2.gz JYTJNTMVFCWKAE-HXOBKFHXSA-N 2 1 385.527 3.568 20 0 GHADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000579593535 1020425248 /nfs/dbraw/zinc/42/52/48/1020425248.db2.gz QBNLKJIPQHRECM-QGZVFWFLSA-N 2 1 375.314 3.609 20 0 GHADMP Cc1c(Cl)nc2cc(F)cc(F)c2c1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001156188178 1032915885 /nfs/dbraw/zinc/91/58/85/1032915885.db2.gz PMSPDXUSSLTHPP-UHFFFAOYSA-N 2 1 382.886 3.913 20 0 GHADMP Cc1cc(N2CCC([NH2+]CCc3cccc(C(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC000628233752 1020680204 /nfs/dbraw/zinc/68/02/04/1020680204.db2.gz SRNIHLLIYVNLPD-UHFFFAOYSA-N 2 1 378.442 3.913 20 0 GHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629951895 1020784214 /nfs/dbraw/zinc/78/42/14/1020784214.db2.gz DIBICGYRCOLROM-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP C[NH+](CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CCC1 ZINC000629951895 1020784219 /nfs/dbraw/zinc/78/42/19/1020784219.db2.gz DIBICGYRCOLROM-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP C[NH+](CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CCC1 ZINC000629951895 1020784227 /nfs/dbraw/zinc/78/42/27/1020784227.db2.gz DIBICGYRCOLROM-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000779437806 1020788497 /nfs/dbraw/zinc/78/84/97/1020788497.db2.gz VAQQTUAPWLIHEO-WLRLJWMZSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)F)nc3)cc2)C[C@H](C)O1 ZINC000631036714 1020850359 /nfs/dbraw/zinc/85/03/59/1020850359.db2.gz AXHJYTMJXRGSCW-IYBDPMFKSA-N 2 1 375.463 3.918 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCc3ncccc32)c1)C1CCOCC1 ZINC000631574524 1020892050 /nfs/dbraw/zinc/89/20/50/1020892050.db2.gz AQQJWKYMKGCHAE-XMMPIXPASA-N 2 1 395.547 3.738 20 0 GHADMP COc1ccc2cc(C[N@@H+]3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001204516206 1032943262 /nfs/dbraw/zinc/94/32/62/1032943262.db2.gz JSHKSNNGGDOROC-DHIUTWEWSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001204516206 1032943269 /nfs/dbraw/zinc/94/32/69/1032943269.db2.gz JSHKSNNGGDOROC-DHIUTWEWSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001204516206 1032943274 /nfs/dbraw/zinc/94/32/74/1032943274.db2.gz JSHKSNNGGDOROC-DHIUTWEWSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001204516206 1032943277 /nfs/dbraw/zinc/94/32/77/1032943277.db2.gz JSHKSNNGGDOROC-DHIUTWEWSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)ccc2c1 ZINC001204516206 1032943279 /nfs/dbraw/zinc/94/32/79/1032943279.db2.gz JSHKSNNGGDOROC-DHIUTWEWSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639258530 1021066996 /nfs/dbraw/zinc/06/69/96/1021066996.db2.gz BWARJXZNJPPLJG-HFMPRLQTSA-N 2 1 380.532 3.729 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639258530 1021067004 /nfs/dbraw/zinc/06/70/04/1021067004.db2.gz BWARJXZNJPPLJG-HFMPRLQTSA-N 2 1 380.532 3.729 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000796314704 1021129711 /nfs/dbraw/zinc/12/97/11/1021129711.db2.gz HHEKFRGKPVXKLS-UHFFFAOYSA-N 2 1 397.604 3.549 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1F ZINC001204561788 1032973331 /nfs/dbraw/zinc/97/33/31/1032973331.db2.gz UVLGBHCQDCESIH-CZTZKLFOSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1F ZINC001204561788 1032973334 /nfs/dbraw/zinc/97/33/34/1032973334.db2.gz UVLGBHCQDCESIH-CZTZKLFOSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1F ZINC001204561788 1032973340 /nfs/dbraw/zinc/97/33/40/1032973340.db2.gz UVLGBHCQDCESIH-CZTZKLFOSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1F ZINC001204561788 1032973341 /nfs/dbraw/zinc/97/33/41/1032973341.db2.gz UVLGBHCQDCESIH-CZTZKLFOSA-N 2 1 383.511 3.962 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3-c3cccnc3)CC2)C1 ZINC001140319320 1021390408 /nfs/dbraw/zinc/39/04/08/1021390408.db2.gz WVNNYIJRGVCCER-NRFANRHFSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3-c3cccnc3)CC2)C1 ZINC001140319320 1021390427 /nfs/dbraw/zinc/39/04/27/1021390427.db2.gz WVNNYIJRGVCCER-NRFANRHFSA-N 2 1 393.531 3.598 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)n1 ZINC001156394071 1033016043 /nfs/dbraw/zinc/01/60/43/1033016043.db2.gz CBTMMODECFTTDI-IIBYNOLFSA-N 2 1 387.597 3.538 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CCC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369715 1021982928 /nfs/dbraw/zinc/98/29/28/1021982928.db2.gz UMXLVNMTGNYTRF-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369715 1021982937 /nfs/dbraw/zinc/98/29/37/1021982937.db2.gz UMXLVNMTGNYTRF-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1cn(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369715 1021982939 /nfs/dbraw/zinc/98/29/39/1021982939.db2.gz UMXLVNMTGNYTRF-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2csc3ccccc23)CC1 ZINC001140636143 1022123941 /nfs/dbraw/zinc/12/39/41/1022123941.db2.gz NLJDZNRMFIOUTP-NHCUHLMSSA-N 2 1 397.588 3.808 20 0 GHADMP CCOc1ccc(Br)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204741895 1033058435 /nfs/dbraw/zinc/05/84/35/1033058435.db2.gz FCLPNERFXAFQDA-UHFFFAOYSA-N 2 1 385.321 3.953 20 0 GHADMP CCOc1ccc(Br)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1F ZINC001204741895 1033058441 /nfs/dbraw/zinc/05/84/41/1033058441.db2.gz FCLPNERFXAFQDA-UHFFFAOYSA-N 2 1 385.321 3.953 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001140803495 1022572932 /nfs/dbraw/zinc/57/29/32/1022572932.db2.gz RJEJNCTWPXVUTG-LJQANCHMSA-N 2 1 392.503 3.656 20 0 GHADMP Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c[nH]c4cc[nH+]cc34)O2)cs1 ZINC001140803836 1022575959 /nfs/dbraw/zinc/57/59/59/1022575959.db2.gz YKDQHCIMUIJACF-DUXKGJEZSA-N 2 1 398.532 3.667 20 0 GHADMP Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c[nH]c4cc[nH+]cc34)O2)cs1 ZINC001140803836 1022575972 /nfs/dbraw/zinc/57/59/72/1022575972.db2.gz YKDQHCIMUIJACF-DUXKGJEZSA-N 2 1 398.532 3.667 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccc(C4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001204747100 1033062687 /nfs/dbraw/zinc/06/26/87/1033062687.db2.gz KROAOSPUAFYSGL-UHFFFAOYSA-N 2 1 378.564 3.987 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140841971 1022677223 /nfs/dbraw/zinc/67/72/23/1022677223.db2.gz ANMYLZJPQLCPLR-RBUKOAKNSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140841971 1022677240 /nfs/dbraw/zinc/67/72/40/1022677240.db2.gz ANMYLZJPQLCPLR-RBUKOAKNSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140841971 1022677252 /nfs/dbraw/zinc/67/72/52/1022677252.db2.gz ANMYLZJPQLCPLR-RBUKOAKNSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140841971 1022677270 /nfs/dbraw/zinc/67/72/70/1022677270.db2.gz ANMYLZJPQLCPLR-RBUKOAKNSA-N 2 1 397.592 3.584 20 0 GHADMP COc1ccccc1S[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)C1 ZINC001140975522 1023057882 /nfs/dbraw/zinc/05/78/82/1023057882.db2.gz SABYQJFKMLWFBR-HXUWFJFHSA-N 2 1 397.588 3.814 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831022384 1024312045 /nfs/dbraw/zinc/31/20/45/1024312045.db2.gz XSRGODJFUUQLDG-FUHWJXTLSA-N 2 1 376.545 3.739 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(C[C@@H](c4cncnc4)CO3)CC2)cc1 ZINC001138543565 1024985800 /nfs/dbraw/zinc/98/58/00/1024985800.db2.gz XDQBYMYJTQCNFR-HXUWFJFHSA-N 2 1 389.503 3.509 20 0 GHADMP COc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1OC ZINC001138548560 1024995891 /nfs/dbraw/zinc/99/58/91/1024995891.db2.gz IIHWKXQDPRGPPT-UHFFFAOYSA-N 2 1 381.476 3.839 20 0 GHADMP COc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1OC ZINC001138548560 1024995896 /nfs/dbraw/zinc/99/58/96/1024995896.db2.gz IIHWKXQDPRGPPT-UHFFFAOYSA-N 2 1 381.476 3.839 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001138549221 1024996105 /nfs/dbraw/zinc/99/61/05/1024996105.db2.gz RSGGOTDQFSJXBM-XZOQPEGZSA-N 2 1 388.515 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001138549221 1024996115 /nfs/dbraw/zinc/99/61/15/1024996115.db2.gz RSGGOTDQFSJXBM-XZOQPEGZSA-N 2 1 388.515 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138551448 1025004220 /nfs/dbraw/zinc/00/42/20/1025004220.db2.gz GPACTFIQTYHBKM-JOCHJYFZSA-N 2 1 384.524 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138551448 1025004228 /nfs/dbraw/zinc/00/42/28/1025004228.db2.gz GPACTFIQTYHBKM-JOCHJYFZSA-N 2 1 384.524 3.917 20 0 GHADMP Brc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001138734876 1025269451 /nfs/dbraw/zinc/26/94/51/1025269451.db2.gz SPRUHSXQKIYFMN-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138774122 1025345979 /nfs/dbraw/zinc/34/59/79/1025345979.db2.gz ZHKFBYSMSIKDFC-UHFFFAOYSA-N 2 1 398.547 3.973 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1C ZINC001141575086 1025638389 /nfs/dbraw/zinc/63/83/89/1025638389.db2.gz OIBAHORCUBXNJP-OAQYLSRUSA-N 2 1 382.552 3.650 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@@H]2c2ccccc2)c1C ZINC001141575086 1025638396 /nfs/dbraw/zinc/63/83/96/1025638396.db2.gz OIBAHORCUBXNJP-OAQYLSRUSA-N 2 1 382.552 3.650 20 0 GHADMP COC(=O)c1cccc(CN(c2ccc3c([nH+]2)CCC3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162192632 1025659704 /nfs/dbraw/zinc/65/97/04/1025659704.db2.gz SQIPHCXWBNUGTD-MXVIHJGJSA-N 2 1 379.504 3.633 20 0 GHADMP C[C@@]1([NH3+])C[C@H](Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001162328913 1025717104 /nfs/dbraw/zinc/71/71/04/1025717104.db2.gz RNBSJJGXWNRESO-QCKZDCLWSA-N 2 1 385.581 3.848 20 0 GHADMP Cc1cc(NC[C@@]2(F)CCCC[NH2+]C2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162573188 1025802835 /nfs/dbraw/zinc/80/28/35/1025802835.db2.gz OHIIQELQAGSBFT-HSZRJFAPSA-N 2 1 382.527 3.842 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001461044928 1069357040 /nfs/dbraw/zinc/35/70/40/1069357040.db2.gz MTYGGSCIUGRRSC-LASHMREHSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC001461044928 1069357054 /nfs/dbraw/zinc/35/70/54/1069357054.db2.gz MTYGGSCIUGRRSC-LASHMREHSA-N 2 1 379.589 3.732 20 0 GHADMP [NH3+][C@@H]1CCc2c1cccc2NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940452 1025976725 /nfs/dbraw/zinc/97/67/25/1025976725.db2.gz DVBVZRMJPDPKJT-NFBKMPQASA-N 3 1 390.575 3.546 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(C(=O)C(F)(F)F)c2)[C@H](C)C1 ZINC000839561895 1026060555 /nfs/dbraw/zinc/06/05/55/1026060555.db2.gz REKWARCWWQUUDW-CRAIPNDOSA-N 2 1 386.458 3.658 20 0 GHADMP COc1ccc(-c2ccc(C[NH+]3CCN(CC4CC[NH+](C)CC4)CC3)s2)cc1 ZINC001139288733 1026140978 /nfs/dbraw/zinc/14/09/78/1026140978.db2.gz DEYWWSHDNUTEGC-UHFFFAOYSA-N 2 1 399.604 3.883 20 0 GHADMP CC[N@@H+]1C[C@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4ccc(OC)cc34)C[C@H]2C1 ZINC001139298629 1026152460 /nfs/dbraw/zinc/15/24/60/1026152460.db2.gz YKUXZMLDMKCGGZ-CALCHBBNSA-N 2 1 399.535 3.817 20 0 GHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304875 1026158027 /nfs/dbraw/zinc/15/80/27/1026158027.db2.gz RHJXSOXGGHJYPW-IBGZPJMESA-N 2 1 377.941 3.903 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304875 1026158033 /nfs/dbraw/zinc/15/80/33/1026158033.db2.gz RHJXSOXGGHJYPW-IBGZPJMESA-N 2 1 377.941 3.903 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304875 1026158041 /nfs/dbraw/zinc/15/80/41/1026158041.db2.gz RHJXSOXGGHJYPW-IBGZPJMESA-N 2 1 377.941 3.903 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304875 1026158047 /nfs/dbraw/zinc/15/80/47/1026158047.db2.gz RHJXSOXGGHJYPW-IBGZPJMESA-N 2 1 377.941 3.903 20 0 GHADMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001139455651 1026320189 /nfs/dbraw/zinc/32/01/89/1026320189.db2.gz RYNFJBVTJGWSNV-JBACZVJFSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001139455651 1026320202 /nfs/dbraw/zinc/32/02/02/1026320202.db2.gz RYNFJBVTJGWSNV-JBACZVJFSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001139455651 1026320214 /nfs/dbraw/zinc/32/02/14/1026320214.db2.gz RYNFJBVTJGWSNV-JBACZVJFSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001139455651 1026320226 /nfs/dbraw/zinc/32/02/26/1026320226.db2.gz RYNFJBVTJGWSNV-JBACZVJFSA-N 2 1 384.593 3.942 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)nc1 ZINC001139494008 1026352694 /nfs/dbraw/zinc/35/26/94/1026352694.db2.gz QVGRCLHLUYOBKG-YYWHXJBOSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)nc1 ZINC001139494008 1026352708 /nfs/dbraw/zinc/35/27/08/1026352708.db2.gz QVGRCLHLUYOBKG-YYWHXJBOSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)nc1 ZINC001139494008 1026352721 /nfs/dbraw/zinc/35/27/21/1026352721.db2.gz QVGRCLHLUYOBKG-YYWHXJBOSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)nc1 ZINC001139494008 1026352729 /nfs/dbraw/zinc/35/27/29/1026352729.db2.gz QVGRCLHLUYOBKG-YYWHXJBOSA-N 2 1 399.560 3.662 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@]1(C)O ZINC001139513851 1026369788 /nfs/dbraw/zinc/36/97/88/1026369788.db2.gz CMQMEPLLLFMTGR-BWKNWUBXSA-N 2 1 393.575 3.602 20 0 GHADMP C[C@H]1CC[C@@H](C[NH3+])N(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C1 ZINC001164077870 1026404468 /nfs/dbraw/zinc/40/44/68/1026404468.db2.gz KVORSYVUHFJFDQ-RDJZCZTQSA-N 2 1 395.576 3.984 20 0 GHADMP COc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1C(C)C ZINC001139619742 1026484415 /nfs/dbraw/zinc/48/44/15/1026484415.db2.gz FGGDASSRWKZEEA-UHFFFAOYSA-N 2 1 382.552 3.669 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164493648 1026531929 /nfs/dbraw/zinc/53/19/29/1026531929.db2.gz VOHVOYPGKHOQNT-BHDDXSALSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164493648 1026531934 /nfs/dbraw/zinc/53/19/34/1026531934.db2.gz VOHVOYPGKHOQNT-BHDDXSALSA-N 2 1 392.547 3.549 20 0 GHADMP CC[N@H+]([C@@H]1CCOC1)C1CCN(c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001165110625 1026613257 /nfs/dbraw/zinc/61/32/57/1026613257.db2.gz UKRANCKQWDOPLR-LJQANCHMSA-N 2 1 383.540 3.626 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001165110625 1026613258 /nfs/dbraw/zinc/61/32/58/1026613258.db2.gz UKRANCKQWDOPLR-LJQANCHMSA-N 2 1 383.540 3.626 20 0 GHADMP C[N@@H+](Cc1ccc(N2CCC[C@H]([NH2+]COCC[Si](C)(C)C)C2)nc1)C1CC1 ZINC001165184550 1026652674 /nfs/dbraw/zinc/65/26/74/1026652674.db2.gz BWDLXJPWMALHOU-IBGZPJMESA-N 2 1 390.648 3.547 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc4c5ccccc5oc43)CC[C@@H]2C1 ZINC001139855465 1026670253 /nfs/dbraw/zinc/67/02/53/1026670253.db2.gz HDCZAKCVUCJXCQ-WZONZLPQSA-N 2 1 394.515 3.755 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc4c5ccccc5oc43)CC[C@@H]2C1 ZINC001139855465 1026670258 /nfs/dbraw/zinc/67/02/58/1026670258.db2.gz HDCZAKCVUCJXCQ-WZONZLPQSA-N 2 1 394.515 3.755 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc4c5ccccc5oc43)CC[C@@H]2C1 ZINC001139855465 1026670264 /nfs/dbraw/zinc/67/02/64/1026670264.db2.gz HDCZAKCVUCJXCQ-WZONZLPQSA-N 2 1 394.515 3.755 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(O)cc1Cl)CC2 ZINC001140084724 1026861961 /nfs/dbraw/zinc/86/19/61/1026861961.db2.gz QGHFTBQPBFHBHT-QGZVFWFLSA-N 2 1 390.911 3.894 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001461168357 1069423494 /nfs/dbraw/zinc/42/34/94/1069423494.db2.gz BAWNXOBANDHIBD-AZUAARDMSA-N 2 1 375.557 3.921 20 0 GHADMP O=C1[C@@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000840038164 1027103131 /nfs/dbraw/zinc/10/31/31/1027103131.db2.gz YXDDMZNMIATILC-GOTSBHOMSA-N 2 1 393.575 3.579 20 0 GHADMP O=C1[C@@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000840038164 1027103146 /nfs/dbraw/zinc/10/31/46/1027103146.db2.gz YXDDMZNMIATILC-GOTSBHOMSA-N 2 1 393.575 3.579 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)C4(CCCC4)[C@@H]3c3ccccc3)C2)CC1 ZINC000840038442 1027104002 /nfs/dbraw/zinc/10/40/02/1027104002.db2.gz UQEWOOSAIPWALZ-VXKWHMMOSA-N 2 1 381.564 3.752 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cn(C)c4ncccc34)C[C@@H]21 ZINC001209749294 1027139948 /nfs/dbraw/zinc/13/99/48/1027139948.db2.gz VPRURAOSRHDMQI-OFAXGOBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c2cccnc21 ZINC001209749294 1027139964 /nfs/dbraw/zinc/13/99/64/1027139964.db2.gz VPRURAOSRHDMQI-OFAXGOBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c2cccnc21 ZINC001209749294 1027139974 /nfs/dbraw/zinc/13/99/74/1027139974.db2.gz VPRURAOSRHDMQI-OFAXGOBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c2cccnc21 ZINC001209749294 1027139985 /nfs/dbraw/zinc/13/99/85/1027139985.db2.gz VPRURAOSRHDMQI-OFAXGOBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c2cccnc21 ZINC001209749294 1027139990 /nfs/dbraw/zinc/13/99/90/1027139990.db2.gz VPRURAOSRHDMQI-OFAXGOBFSA-N 2 1 389.547 3.701 20 0 GHADMP CC(=O)OCc1ccc(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001141793650 1027300475 /nfs/dbraw/zinc/30/04/75/1027300475.db2.gz FMEHDGAQNHMGSH-QHCPKHFHSA-N 2 1 382.504 3.831 20 0 GHADMP CC(=O)OCc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001141795263 1027303019 /nfs/dbraw/zinc/30/30/19/1027303019.db2.gz AUZPLLMSHJDSCB-SFTDATJTSA-N 2 1 382.504 3.687 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)o1 ZINC001141795263 1027303032 /nfs/dbraw/zinc/30/30/32/1027303032.db2.gz AUZPLLMSHJDSCB-SFTDATJTSA-N 2 1 382.504 3.687 20 0 GHADMP FC(F)(F)c1ccc(-c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)on2)cc1 ZINC001210263358 1027412111 /nfs/dbraw/zinc/41/21/11/1027412111.db2.gz ZQBWQJBNRWTZCL-UHFFFAOYSA-N 2 1 389.381 3.909 20 0 GHADMP CCOc1ccccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001203536760 1027414710 /nfs/dbraw/zinc/41/47/10/1027414710.db2.gz HILRABFZUVZLNC-FQEVSTJZSA-N 2 1 384.520 3.934 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203927765 1027718961 /nfs/dbraw/zinc/71/89/61/1027718961.db2.gz DUVHXDZVPKOGPF-OYDLWJJNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203927765 1027718972 /nfs/dbraw/zinc/71/89/72/1027718972.db2.gz DUVHXDZVPKOGPF-OYDLWJJNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203927765 1027718990 /nfs/dbraw/zinc/71/89/90/1027718990.db2.gz DUVHXDZVPKOGPF-OYDLWJJNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203927765 1027719006 /nfs/dbraw/zinc/71/90/06/1027719006.db2.gz DUVHXDZVPKOGPF-OYDLWJJNSA-N 2 1 392.547 3.773 20 0 GHADMP C[N@@H+]1CCc2c(sc(Nc3cccc(C[NH+]4CCCCC4)c3)c2C(N)=O)C1 ZINC001204086748 1027864601 /nfs/dbraw/zinc/86/46/01/1027864601.db2.gz FBOCCRYREXZKIZ-UHFFFAOYSA-N 2 1 384.549 3.564 20 0 GHADMP C[N@H+]1CCc2c(sc(Nc3cccc(C[NH+]4CCCCC4)c3)c2C(N)=O)C1 ZINC001204086748 1027864615 /nfs/dbraw/zinc/86/46/15/1027864615.db2.gz FBOCCRYREXZKIZ-UHFFFAOYSA-N 2 1 384.549 3.564 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)ccc1OCc1ccc(F)cc1 ZINC001204089772 1027868127 /nfs/dbraw/zinc/86/81/27/1027868127.db2.gz QOOCNDHSOVZVEM-HLAWJBBLSA-N 2 1 384.495 3.843 20 0 GHADMP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001211285874 1027888669 /nfs/dbraw/zinc/88/86/69/1027888669.db2.gz MDRWLJRGQWMFRF-RTBURBONSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001142016664 1027889636 /nfs/dbraw/zinc/88/96/36/1027889636.db2.gz OLBTWTLISLIBMU-RXVVDRJESA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001142016664 1027889647 /nfs/dbraw/zinc/88/96/47/1027889647.db2.gz OLBTWTLISLIBMU-RXVVDRJESA-N 2 1 377.548 3.807 20 0 GHADMP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000840862977 1027898842 /nfs/dbraw/zinc/89/88/42/1027898842.db2.gz DCQZKLMMBNPHPR-BXXSPATCSA-N 2 1 393.531 3.892 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC001211304863 1027901195 /nfs/dbraw/zinc/90/11/95/1027901195.db2.gz MQTFDWCKAHEDSI-UHFFFAOYSA-N 2 1 380.621 3.698 20 0 GHADMP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842712362 1029523320 /nfs/dbraw/zinc/52/33/20/1029523320.db2.gz XQCBAGYWRGFBDY-FCHUYYIVSA-N 2 1 393.531 3.894 20 0 GHADMP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842712362 1029523332 /nfs/dbraw/zinc/52/33/32/1029523332.db2.gz XQCBAGYWRGFBDY-FCHUYYIVSA-N 2 1 393.531 3.894 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC001143026280 1029789780 /nfs/dbraw/zinc/78/97/80/1029789780.db2.gz WOBXCFJOIMRWLK-UHFFFAOYSA-N 2 1 385.596 3.522 20 0 GHADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843126643 1029817516 /nfs/dbraw/zinc/81/75/16/1029817516.db2.gz MNDDTZAPJQTDQN-CALCHBBNSA-N 2 1 393.362 3.978 20 0 GHADMP COc1ccc([C@H](O)C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)Cc2ccccc2)cc1 ZINC000843130186 1029818702 /nfs/dbraw/zinc/81/87/02/1029818702.db2.gz ZPHXUHZWHXHQCJ-YADARESESA-N 2 1 382.548 3.661 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143092326 1029839668 /nfs/dbraw/zinc/83/96/68/1029839668.db2.gz XQDAOBVIJAGSJW-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143092326 1029839676 /nfs/dbraw/zinc/83/96/76/1029839676.db2.gz XQDAOBVIJAGSJW-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143092326 1029839682 /nfs/dbraw/zinc/83/96/82/1029839682.db2.gz XQDAOBVIJAGSJW-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143092326 1029839690 /nfs/dbraw/zinc/83/96/90/1029839690.db2.gz XQDAOBVIJAGSJW-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP COc1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)oc1ccccc12 ZINC000843377949 1029951134 /nfs/dbraw/zinc/95/11/34/1029951134.db2.gz AOZBZDWSGAAASW-HNNXBMFYSA-N 2 1 381.476 3.594 20 0 GHADMP COc1cc2c(cc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)oc1ccccc12 ZINC000843377949 1029951138 /nfs/dbraw/zinc/95/11/38/1029951138.db2.gz AOZBZDWSGAAASW-HNNXBMFYSA-N 2 1 381.476 3.594 20 0 GHADMP Cc1cc(Br)c(C[NH+]2CCC3(C[NH2+]C3)CC2)c(Br)c1 ZINC001222208088 1030005363 /nfs/dbraw/zinc/00/53/63/1030005363.db2.gz KFPIKUKGYSWYMQ-UHFFFAOYSA-N 2 1 388.147 3.705 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222400824 1030108281 /nfs/dbraw/zinc/10/82/81/1030108281.db2.gz JIJWDDHNCSGYKX-UHFFFAOYSA-N 2 1 395.547 3.665 20 0 GHADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cnn(CC[NH+]4CCCC4)c3)cc12 ZINC001222488212 1030163918 /nfs/dbraw/zinc/16/39/18/1030163918.db2.gz JYLWHIADYUYOEM-OAQYLSRUSA-N 2 1 377.536 3.764 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001222562602 1030199001 /nfs/dbraw/zinc/19/90/01/1030199001.db2.gz YNDYMHFFDJVJGU-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP c1[nH]nc2ccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc12 ZINC001222583007 1030211571 /nfs/dbraw/zinc/21/15/71/1030211571.db2.gz JWMLEHQHVUWTAD-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2NCC3)cc1 ZINC001222595496 1030221364 /nfs/dbraw/zinc/22/13/64/1030221364.db2.gz BJMGWHTUHCZGQS-QHCPKHFHSA-N 2 1 391.559 3.958 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596142 1030221509 /nfs/dbraw/zinc/22/15/09/1030221509.db2.gz QQVMLYQBEXPNGA-BJKOFHAPSA-N 2 1 375.560 3.730 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595677 1030222395 /nfs/dbraw/zinc/22/23/95/1030222395.db2.gz GMOFTVGMSOCDEJ-UPVQGACJSA-N 2 1 375.560 3.588 20 0 GHADMP Brc1cccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)n1 ZINC001222624277 1030247319 /nfs/dbraw/zinc/24/73/19/1030247319.db2.gz WMXIKYIPKBPTHK-HDICACEKSA-N 2 1 386.337 3.943 20 0 GHADMP CN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150431126 1030527412 /nfs/dbraw/zinc/52/74/12/1030527412.db2.gz JRXKHMCNVFULDY-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150431126 1030527420 /nfs/dbraw/zinc/52/74/20/1030527420.db2.gz JRXKHMCNVFULDY-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150431126 1030527423 /nfs/dbraw/zinc/52/74/23/1030527423.db2.gz JRXKHMCNVFULDY-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP N[C@H](Cc1ccccc1Cl)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217710011 1030620704 /nfs/dbraw/zinc/62/07/04/1030620704.db2.gz BEHKSAWHIDKMSH-PKOBYXMFSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@H](Cc1ccccc1Cl)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217710011 1030620717 /nfs/dbraw/zinc/62/07/17/1030620717.db2.gz BEHKSAWHIDKMSH-PKOBYXMFSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@H](Cc1ccccc1Cl)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217710011 1030620723 /nfs/dbraw/zinc/62/07/23/1030620723.db2.gz BEHKSAWHIDKMSH-PKOBYXMFSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@H](Cc1ccc2ccccc2n1)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217750123 1030640930 /nfs/dbraw/zinc/64/09/30/1030640930.db2.gz ZBKSAFJIRSWYOU-PZJWPPBQSA-N 2 1 399.498 3.850 20 0 GHADMP [NH3+][C@H](Cc1ccc2ccccc2n1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217750123 1030640935 /nfs/dbraw/zinc/64/09/35/1030640935.db2.gz ZBKSAFJIRSWYOU-PZJWPPBQSA-N 2 1 399.498 3.850 20 0 GHADMP Cc1cc(Cl)c(C[N@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c(Cl)c1 ZINC001276907107 1030674069 /nfs/dbraw/zinc/67/40/69/1030674069.db2.gz CHUWTOWCXDPZGW-HXUWFJFHSA-N 2 1 398.378 3.820 20 0 GHADMP Cc1cc(Cl)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c(Cl)c1 ZINC001276907107 1030674077 /nfs/dbraw/zinc/67/40/77/1030674077.db2.gz CHUWTOWCXDPZGW-HXUWFJFHSA-N 2 1 398.378 3.820 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001217966812 1030693664 /nfs/dbraw/zinc/69/36/64/1030693664.db2.gz DBASCCXUDJKXFP-NLFFAJNJSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001217966812 1030693675 /nfs/dbraw/zinc/69/36/75/1030693675.db2.gz DBASCCXUDJKXFP-NLFFAJNJSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001217966812 1030693684 /nfs/dbraw/zinc/69/36/84/1030693684.db2.gz DBASCCXUDJKXFP-NLFFAJNJSA-N 3 1 393.575 3.899 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001217967650 1030694420 /nfs/dbraw/zinc/69/44/20/1030694420.db2.gz SJSDWWAXLCTZPU-WTNAPCKOSA-N 2 1 382.504 3.539 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CC[C@@]24CC[NH2+]C4)c1-3 ZINC001218116435 1030781211 /nfs/dbraw/zinc/78/12/11/1030781211.db2.gz JXWSBYXZKWSZEU-WWEVIYMKSA-N 2 1 376.500 3.665 20 0 GHADMP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)F)cc2Br)C1 ZINC001206640376 1030858091 /nfs/dbraw/zinc/85/80/91/1030858091.db2.gz JGVRRDOVNXTSKS-NSHDSACASA-N 2 1 381.236 3.909 20 0 GHADMP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Br)C1 ZINC001206640376 1030858108 /nfs/dbraw/zinc/85/81/08/1030858108.db2.gz JGVRRDOVNXTSKS-NSHDSACASA-N 2 1 381.236 3.909 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218485031 1030956495 /nfs/dbraw/zinc/95/64/95/1030956495.db2.gz WSEGRGZIAUDJIV-CYFREDJKSA-N 2 1 379.548 3.509 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218485031 1030956500 /nfs/dbraw/zinc/95/65/00/1030956500.db2.gz WSEGRGZIAUDJIV-CYFREDJKSA-N 3 1 379.548 3.509 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218485031 1030956506 /nfs/dbraw/zinc/95/65/06/1030956506.db2.gz WSEGRGZIAUDJIV-CYFREDJKSA-N 3 1 379.548 3.509 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001224470203 1031019487 /nfs/dbraw/zinc/01/94/87/1031019487.db2.gz CETSWPUKPXZVIK-QHCPKHFHSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001152051980 1031089228 /nfs/dbraw/zinc/08/92/28/1031089228.db2.gz BKMZEYJPKVAQJK-XZOQPEGZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001152051980 1031089244 /nfs/dbraw/zinc/08/92/44/1031089244.db2.gz BKMZEYJPKVAQJK-XZOQPEGZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001152051980 1031089262 /nfs/dbraw/zinc/08/92/62/1031089262.db2.gz BKMZEYJPKVAQJK-XZOQPEGZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001152051980 1031089279 /nfs/dbraw/zinc/08/92/79/1031089279.db2.gz BKMZEYJPKVAQJK-XZOQPEGZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C1CCC2(C[NH2+]C2)CC1 ZINC001218850023 1031114353 /nfs/dbraw/zinc/11/43/53/1031114353.db2.gz YYNPQMJSPUNUDT-UHFFFAOYSA-N 2 1 375.516 3.921 20 0 GHADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C1CCC2(C[NH2+]C2)CC1 ZINC001218850023 1031114359 /nfs/dbraw/zinc/11/43/59/1031114359.db2.gz YYNPQMJSPUNUDT-UHFFFAOYSA-N 2 1 375.516 3.921 20 0 GHADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc2ccc(-c3ccccc3)nc2c1 ZINC001152625690 1031307977 /nfs/dbraw/zinc/30/79/77/1031307977.db2.gz XFPVUCNWEMSVDZ-UHFFFAOYSA-N 2 1 389.503 3.579 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccc4c(c3)OCCCO4)CC2)cc1 ZINC001461759434 1069728538 /nfs/dbraw/zinc/72/85/38/1069728538.db2.gz ANBWIMCALHUINC-UHFFFAOYSA-N 2 1 398.522 3.826 20 0 GHADMP CCN(C(=O)Nc1ccnc(C[NH+](C)C)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001219713323 1031573611 /nfs/dbraw/zinc/57/36/11/1031573611.db2.gz OIKNDWUUNPAVKG-GCJKJVERSA-N 2 1 395.551 3.833 20 0 GHADMP CCN(C(=O)Nc1ccnc(C[NH+](C)C)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001219713323 1031573620 /nfs/dbraw/zinc/57/36/20/1031573620.db2.gz OIKNDWUUNPAVKG-GCJKJVERSA-N 2 1 395.551 3.833 20 0 GHADMP C[NH2+]CCCCNC(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001220077448 1031774226 /nfs/dbraw/zinc/77/42/26/1031774226.db2.gz JPBKVXNNJUDQBM-SIKLNZKXSA-N 2 1 379.548 3.602 20 0 GHADMP CC(C)c1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)ccc1Cl ZINC001277103335 1031816878 /nfs/dbraw/zinc/81/68/78/1031816878.db2.gz IPEZQROSXZWEEX-WOJBJXKFSA-N 2 1 377.960 3.590 20 0 GHADMP C[C@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001220195013 1031829526 /nfs/dbraw/zinc/82/95/26/1031829526.db2.gz MNVZARASQJZHBO-ZWKOTPCHSA-N 2 1 385.556 3.846 20 0 GHADMP C[C@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001220195013 1031829538 /nfs/dbraw/zinc/82/95/38/1031829538.db2.gz MNVZARASQJZHBO-ZWKOTPCHSA-N 2 1 385.556 3.846 20 0 GHADMP [NH3+][C@@H](CCCc1ccccc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001220492021 1031962275 /nfs/dbraw/zinc/96/22/75/1031962275.db2.gz GGSIGXQXJUEKOC-XQUALCHDSA-N 2 1 391.559 3.648 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001220611684 1032011150 /nfs/dbraw/zinc/01/11/50/1032011150.db2.gz VUMXEQWSIZYAIE-LEWJYISDSA-N 2 1 394.648 3.943 20 0 GHADMP CC(C)[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001220610685 1032011696 /nfs/dbraw/zinc/01/16/96/1032011696.db2.gz KUJNHKZKJCFTFJ-NHCUHLMSSA-N 2 1 380.621 3.554 20 0 GHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC001220636730 1032036161 /nfs/dbraw/zinc/03/61/61/1032036161.db2.gz OAYHCNXAGROVKS-SIKLNZKXSA-N 2 1 388.600 3.940 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1F ZINC001205227830 1033316474 /nfs/dbraw/zinc/31/64/74/1033316474.db2.gz NIMPMROJGNOPIZ-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP Nc1[nH]c2ccc(C(=O)Nc3ccc4c(c3)CC[C@@H]([NH+]3CCCC3)CC4)cc2[nH+]1 ZINC001156974896 1033350196 /nfs/dbraw/zinc/35/01/96/1033350196.db2.gz BLZGMHCLJGFXQU-IBGZPJMESA-N 2 1 389.503 3.741 20 0 GHADMP Cc1nn2c(C[NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c(C(C)C)nc2s1 ZINC001205385428 1033387762 /nfs/dbraw/zinc/38/77/62/1033387762.db2.gz GAVHXOORARIVDX-GOEBONIOSA-N 2 1 375.586 3.965 20 0 GHADMP Cc1nn2c(C[NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c(C(C)C)nc2s1 ZINC001205385428 1033387771 /nfs/dbraw/zinc/38/77/71/1033387771.db2.gz GAVHXOORARIVDX-GOEBONIOSA-N 2 1 375.586 3.965 20 0 GHADMP C[C@H](CCc1cncc2ccccc21)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001205389067 1033390990 /nfs/dbraw/zinc/39/09/90/1033390990.db2.gz RRDXETJHJNYACJ-NTKDMRAZSA-N 2 1 389.543 3.912 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC001205576729 1033476713 /nfs/dbraw/zinc/47/67/13/1033476713.db2.gz DABQEGZKKXZSRD-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP c1cc2cc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3cccnc3)C4)ccc2[nH]1 ZINC001205588033 1033481253 /nfs/dbraw/zinc/48/12/53/1033481253.db2.gz OSOQGZMNHVLZEW-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001229453702 1033488483 /nfs/dbraw/zinc/48/84/83/1033488483.db2.gz GGAPEMJBHGEPBU-UWHLTILDSA-N 2 1 388.600 3.800 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001229453702 1033488495 /nfs/dbraw/zinc/48/84/95/1033488495.db2.gz GGAPEMJBHGEPBU-UWHLTILDSA-N 2 1 388.600 3.800 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001229453702 1033488504 /nfs/dbraw/zinc/48/85/04/1033488504.db2.gz GGAPEMJBHGEPBU-UWHLTILDSA-N 2 1 388.600 3.800 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205638350 1033505565 /nfs/dbraw/zinc/50/55/65/1033505565.db2.gz MSPZPPZXWIKBPV-RXVVDRJESA-N 2 1 396.531 3.859 20 0 GHADMP Cc1cc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn2ccnc12 ZINC001205706082 1033539184 /nfs/dbraw/zinc/53/91/84/1033539184.db2.gz ZWUPGLBIEFDQEW-FQEVSTJZSA-N 2 1 377.492 3.771 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(NC3(C)CC[NH2+]CC3)n2)CCC4)CC1 ZINC001157402946 1033569065 /nfs/dbraw/zinc/56/90/65/1033569065.db2.gz JVWUIZUNVRYZEI-UHFFFAOYSA-N 2 1 399.608 3.966 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC001157495170 1033619153 /nfs/dbraw/zinc/61/91/53/1033619153.db2.gz GYOIVXWKKMUNDB-BJKOFHAPSA-N 2 1 387.527 3.615 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc3ccccc3c2)[C@@H](c2ccccc2)C1 ZINC001157495170 1033619163 /nfs/dbraw/zinc/61/91/63/1033619163.db2.gz GYOIVXWKKMUNDB-BJKOFHAPSA-N 2 1 387.527 3.615 20 0 GHADMP Fc1ccc(Cl)cc1CN1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001206020323 1033689404 /nfs/dbraw/zinc/68/94/04/1033689404.db2.gz OPHVQCSAOFQIHJ-DYESRHJHSA-N 2 1 389.902 3.597 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC1 ZINC001206336041 1033801906 /nfs/dbraw/zinc/80/19/06/1033801906.db2.gz JQKZTFBACSGLRS-QHCPKHFHSA-N 2 1 382.504 3.945 20 0 GHADMP CC(C)N(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)[C@H]1CC[NH2+]C1 ZINC001158033181 1033873576 /nfs/dbraw/zinc/87/35/76/1033873576.db2.gz RIMTZBSONDDSQY-INIZCTEOSA-N 2 1 399.608 3.743 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(OC)n2)C2CC[NH2+]CC2)nc1 ZINC001158061033 1033897248 /nfs/dbraw/zinc/89/72/48/1033897248.db2.gz VLFSKKHECHZKRW-HXUWFJFHSA-N 2 1 395.551 3.922 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206607365 1033923265 /nfs/dbraw/zinc/92/32/65/1033923265.db2.gz ZOQWNQGRUMSBDG-CQSZACIVSA-N 2 1 385.346 3.819 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206607365 1033923270 /nfs/dbraw/zinc/92/32/70/1033923270.db2.gz ZOQWNQGRUMSBDG-CQSZACIVSA-N 2 1 385.346 3.819 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)c1 ZINC001230199866 1033941654 /nfs/dbraw/zinc/94/16/54/1033941654.db2.gz DXQKYTTYWCBZIX-XMSQKQJNSA-N 2 1 386.584 3.591 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC001230199866 1033941656 /nfs/dbraw/zinc/94/16/56/1033941656.db2.gz DXQKYTTYWCBZIX-XMSQKQJNSA-N 2 1 386.584 3.591 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC001230199866 1033941664 /nfs/dbraw/zinc/94/16/64/1033941664.db2.gz DXQKYTTYWCBZIX-XMSQKQJNSA-N 2 1 386.584 3.591 20 0 GHADMP c1ccc2c(c1)CCC1(CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC1)O2 ZINC001206727254 1033958947 /nfs/dbraw/zinc/95/89/47/1033958947.db2.gz BBKPKPKFTUNUBO-UHFFFAOYSA-N 2 1 392.543 3.879 20 0 GHADMP Fc1cccnc1C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207036720 1034063263 /nfs/dbraw/zinc/06/32/63/1034063263.db2.gz XHBGAGSFXCFQSS-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2[nH+]cc3ccccn32)cc1 ZINC001207055447 1034074098 /nfs/dbraw/zinc/07/40/98/1034074098.db2.gz XMOWPFRMACHXNM-NRFANRHFSA-N 2 1 378.520 3.829 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2[nH+]cc3ccccn32)cc1 ZINC001207055447 1034074109 /nfs/dbraw/zinc/07/41/09/1034074109.db2.gz XMOWPFRMACHXNM-NRFANRHFSA-N 2 1 378.520 3.829 20 0 GHADMP COCCN1CCOC[C@]2(CCC[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182501 1034151133 /nfs/dbraw/zinc/15/11/33/1034151133.db2.gz LBNOQSOIMOBFHE-CEMLEFRQSA-N 2 1 392.971 3.504 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001207193272 1034162909 /nfs/dbraw/zinc/16/29/09/1034162909.db2.gz JLMZIPNBDWTCHW-HXUWFJFHSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207272156 1034227352 /nfs/dbraw/zinc/22/73/52/1034227352.db2.gz XERMQVPWIUTHNY-QUVATAORSA-N 2 1 399.579 3.888 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207272156 1034227362 /nfs/dbraw/zinc/22/73/62/1034227362.db2.gz XERMQVPWIUTHNY-QUVATAORSA-N 2 1 399.579 3.888 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207272156 1034227378 /nfs/dbraw/zinc/22/73/78/1034227378.db2.gz XERMQVPWIUTHNY-QUVATAORSA-N 2 1 399.579 3.888 20 0 GHADMP C[C@]1(C[NH3+])CCCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001158684403 1034229876 /nfs/dbraw/zinc/22/98/76/1034229876.db2.gz OHFCHYXEKVGRTD-JOCHJYFZSA-N 2 1 399.608 3.731 20 0 GHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001207278924 1034232469 /nfs/dbraw/zinc/23/24/69/1034232469.db2.gz HBOYZGAFZMUYIB-RTBURBONSA-N 2 1 381.605 3.933 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001207287690 1034238503 /nfs/dbraw/zinc/23/85/03/1034238503.db2.gz WLEJFGMYMILCQX-FCHUYYIVSA-N 2 1 399.579 3.840 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)ncn1 ZINC001207292971 1034246219 /nfs/dbraw/zinc/24/62/19/1034246219.db2.gz DGNHEPXLNVYQLJ-QFIPXVFZSA-N 2 1 380.536 3.540 20 0 GHADMP COC1CC[NH+](C2CC[NH+](CCCc3ccc(Br)cc3)CC2)CC1 ZINC001207322852 1034270931 /nfs/dbraw/zinc/27/09/31/1034270931.db2.gz FYZNFJRMBHQWGN-UHFFFAOYSA-N 2 1 395.385 3.957 20 0 GHADMP Cc1cccc(C[C@]2(C(=O)N3CCC4(CCC[N@H+]4CC4CC4)CC3)CCC[NH2+]2)c1 ZINC001158968537 1034361666 /nfs/dbraw/zinc/36/16/66/1034361666.db2.gz RVHGCELTGZILKX-VWLOTQADSA-N 2 1 395.591 3.527 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@H+](CC2CC[NH2+]CC2)[C@H](c2ccc(Cl)cc2)C1 ZINC001207438204 1034369421 /nfs/dbraw/zinc/36/94/21/1034369421.db2.gz YGUYCFMAZXXGCK-IBGZPJMESA-N 2 1 393.959 3.933 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC[NH2+]CC2)[C@H](c2ccc(Cl)cc2)C1 ZINC001207438204 1034369436 /nfs/dbraw/zinc/36/94/36/1034369436.db2.gz YGUYCFMAZXXGCK-IBGZPJMESA-N 2 1 393.959 3.933 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001231105521 1034400786 /nfs/dbraw/zinc/40/07/86/1034400786.db2.gz GAQMZDNZPBHBFO-OAQYLSRUSA-N 2 1 390.616 3.834 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC001231107080 1034402389 /nfs/dbraw/zinc/40/23/89/1034402389.db2.gz PZWFZOPZNJNFTL-NRFANRHFSA-N 2 1 386.584 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001231107080 1034402391 /nfs/dbraw/zinc/40/23/91/1034402391.db2.gz PZWFZOPZNJNFTL-NRFANRHFSA-N 2 1 386.584 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001231107080 1034402398 /nfs/dbraw/zinc/40/23/98/1034402398.db2.gz PZWFZOPZNJNFTL-NRFANRHFSA-N 2 1 386.584 3.603 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001159207610 1034483664 /nfs/dbraw/zinc/48/36/64/1034483664.db2.gz HSQCFFWGMUPCNE-JTHBVZDNSA-N 2 1 387.612 3.766 20 0 GHADMP C[NH+]1CCC2(CCC(NC(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)CC1 ZINC001159518907 1034634520 /nfs/dbraw/zinc/63/45/20/1034634520.db2.gz OGQROGDFAWPQDW-JOCHJYFZSA-N 2 1 397.607 3.712 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cccnc34)C[C@@H]21 ZINC001231489357 1034634711 /nfs/dbraw/zinc/63/47/11/1034634711.db2.gz JJALYAUWSMQJKT-RBDMOPTHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cccnc34)C[C@@H]21 ZINC001231489357 1034634717 /nfs/dbraw/zinc/63/47/17/1034634717.db2.gz JJALYAUWSMQJKT-RBDMOPTHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4cccnc34)C[C@@H]21 ZINC001231489357 1034634725 /nfs/dbraw/zinc/63/47/25/1034634725.db2.gz JJALYAUWSMQJKT-RBDMOPTHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cccnc34)C[C@@H]21 ZINC001231489357 1034634731 /nfs/dbraw/zinc/63/47/31/1034634731.db2.gz JJALYAUWSMQJKT-RBDMOPTHSA-N 2 1 375.520 3.690 20 0 GHADMP COCCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001231506185 1034651767 /nfs/dbraw/zinc/65/17/67/1034651767.db2.gz WRQBPHWHEYEXEO-PSWAGMNNSA-N 2 1 394.559 3.974 20 0 GHADMP COCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001231506185 1034651775 /nfs/dbraw/zinc/65/17/75/1034651775.db2.gz WRQBPHWHEYEXEO-PSWAGMNNSA-N 2 1 394.559 3.974 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001231506185 1034651783 /nfs/dbraw/zinc/65/17/83/1034651783.db2.gz WRQBPHWHEYEXEO-PSWAGMNNSA-N 2 1 394.559 3.974 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001231506185 1034651791 /nfs/dbraw/zinc/65/17/91/1034651791.db2.gz WRQBPHWHEYEXEO-PSWAGMNNSA-N 2 1 394.559 3.974 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCCc1ccc(C)o1)CC2 ZINC001207945421 1034674632 /nfs/dbraw/zinc/67/46/32/1034674632.db2.gz XRSVBLPTSGJPEC-JOCHJYFZSA-N 2 1 397.563 3.919 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001208108568 1034739438 /nfs/dbraw/zinc/73/94/38/1034739438.db2.gz VYRUSDOXGRNNJM-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+](C2CCC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208115757 1034741221 /nfs/dbraw/zinc/74/12/21/1034741221.db2.gz MQDRKCBWZUPKBD-IBGZPJMESA-N 2 1 379.589 3.972 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC[C@H](C)SC)CC2 ZINC001208139615 1034753124 /nfs/dbraw/zinc/75/31/24/1034753124.db2.gz AQIAWPWKZXCDLP-IRXDYDNUSA-N 2 1 383.627 3.588 20 0 GHADMP C[NH+](C)CC1(C[N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)CCCC1 ZINC001208186123 1034783729 /nfs/dbraw/zinc/78/37/29/1034783729.db2.gz MUEUUBSHMTYGSX-NHCUHLMSSA-N 2 1 385.552 3.594 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)C1 ZINC001208607497 1034952424 /nfs/dbraw/zinc/95/24/24/1034952424.db2.gz LIHGEOKTQCDWIJ-UXHICEINSA-N 2 1 395.591 3.518 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208609238 1034953204 /nfs/dbraw/zinc/95/32/04/1034953204.db2.gz ZPQHRZWBCZKVFO-SLFFLAALSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208609238 1034953205 /nfs/dbraw/zinc/95/32/05/1034953205.db2.gz ZPQHRZWBCZKVFO-SLFFLAALSA-N 2 1 379.589 3.687 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCO5)CC[C@H]3C2)cc1 ZINC001231888771 1034970062 /nfs/dbraw/zinc/97/00/62/1034970062.db2.gz UPVJHXDHDLEUOC-SFTDATJTSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c4OCCO5)CC[C@H]3C2)cc1 ZINC001231888771 1034970069 /nfs/dbraw/zinc/97/00/69/1034970069.db2.gz UPVJHXDHDLEUOC-SFTDATJTSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c4OCCO5)CC[C@H]3C2)cc1 ZINC001231888771 1034970073 /nfs/dbraw/zinc/97/00/73/1034970073.db2.gz UPVJHXDHDLEUOC-SFTDATJTSA-N 2 1 378.516 3.802 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CCC(C)(C)c2ccccc2)CC1 ZINC001208666611 1034974859 /nfs/dbraw/zinc/97/48/59/1034974859.db2.gz OWLKWCGEMYJIMB-DHIUTWEWSA-N 2 1 397.607 3.761 20 0 GHADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160680800 1035033352 /nfs/dbraw/zinc/03/33/52/1035033352.db2.gz VTXIXFXWFXBMSS-NKKJXINNSA-N 2 1 391.559 3.678 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]C1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160681982 1035034534 /nfs/dbraw/zinc/03/45/34/1035034534.db2.gz BCPMJLQPLBYZDM-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP Fc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cc5c[nH+]ccc5[nH]4)C3)C2)c1 ZINC001232014965 1035045264 /nfs/dbraw/zinc/04/52/64/1035045264.db2.gz PRBHNUXCUYPVHG-QHCPKHFHSA-N 2 1 394.494 3.821 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C1)C2 ZINC001232016562 1035046952 /nfs/dbraw/zinc/04/69/52/1035046952.db2.gz ZJYZVAWQYMIUEX-WZONZLPQSA-N 2 1 375.472 3.658 20 0 GHADMP CN(CC1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208932386 1035096617 /nfs/dbraw/zinc/09/66/17/1035096617.db2.gz POBFXNIFXRQZHC-FQEVSTJZSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208932386 1035096626 /nfs/dbraw/zinc/09/66/26/1035096626.db2.gz POBFXNIFXRQZHC-FQEVSTJZSA-N 2 1 387.568 3.697 20 0 GHADMP COc1ccc(-c2c(C[NH+]3CCC4(CCn5c(C)c[nH+]c54)CC3)cnn2C)cc1 ZINC001232107276 1035097739 /nfs/dbraw/zinc/09/77/39/1035097739.db2.gz MAPUBFUQNWLKIA-UHFFFAOYSA-N 2 1 391.519 3.538 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208937224 1035104594 /nfs/dbraw/zinc/10/45/94/1035104594.db2.gz RUJMACXARAEYDA-QHCPKHFHSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208937227 1035104965 /nfs/dbraw/zinc/10/49/65/1035104965.db2.gz RXNJVBOBFSQTLE-HSZRJFAPSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccnc1N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937227 1035104968 /nfs/dbraw/zinc/10/49/68/1035104968.db2.gz RXNJVBOBFSQTLE-HSZRJFAPSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccnc1N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937227 1035104969 /nfs/dbraw/zinc/10/49/69/1035104969.db2.gz RXNJVBOBFSQTLE-HSZRJFAPSA-N 2 1 378.564 3.814 20 0 GHADMP O=C(C1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCC1 ZINC001208938184 1035107184 /nfs/dbraw/zinc/10/71/84/1035107184.db2.gz XOSNBKHJPSWWIY-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208939031 1035107232 /nfs/dbraw/zinc/10/72/32/1035107232.db2.gz AVEDWACQKBGXLE-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208939031 1035107234 /nfs/dbraw/zinc/10/72/34/1035107234.db2.gz AVEDWACQKBGXLE-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208939031 1035107238 /nfs/dbraw/zinc/10/72/38/1035107238.db2.gz AVEDWACQKBGXLE-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208939031 1035107243 /nfs/dbraw/zinc/10/72/43/1035107243.db2.gz AVEDWACQKBGXLE-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941764 1035111646 /nfs/dbraw/zinc/11/16/46/1035111646.db2.gz NAZMSMZXYBLCDH-CTNGQTDRSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941764 1035111651 /nfs/dbraw/zinc/11/16/51/1035111651.db2.gz NAZMSMZXYBLCDH-CTNGQTDRSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941764 1035111656 /nfs/dbraw/zinc/11/16/56/1035111656.db2.gz NAZMSMZXYBLCDH-CTNGQTDRSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941764 1035111660 /nfs/dbraw/zinc/11/16/60/1035111660.db2.gz NAZMSMZXYBLCDH-CTNGQTDRSA-N 2 1 387.568 3.697 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208942987 1035112762 /nfs/dbraw/zinc/11/27/62/1035112762.db2.gz KOUVYYKWVMTTQN-YADHBBJMSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208942987 1035112763 /nfs/dbraw/zinc/11/27/63/1035112763.db2.gz KOUVYYKWVMTTQN-YADHBBJMSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208942987 1035112766 /nfs/dbraw/zinc/11/27/66/1035112766.db2.gz KOUVYYKWVMTTQN-YADHBBJMSA-N 2 1 395.547 3.846 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948940 1035118819 /nfs/dbraw/zinc/11/88/19/1035118819.db2.gz UDYHZCRADGEGSS-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948940 1035118825 /nfs/dbraw/zinc/11/88/25/1035118825.db2.gz UDYHZCRADGEGSS-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948940 1035118828 /nfs/dbraw/zinc/11/88/28/1035118828.db2.gz UDYHZCRADGEGSS-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948940 1035118838 /nfs/dbraw/zinc/11/88/38/1035118838.db2.gz UDYHZCRADGEGSS-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948971 1035120107 /nfs/dbraw/zinc/12/01/07/1035120107.db2.gz URUSQEJNDHYDFJ-OFNKIYASSA-N 2 1 381.539 3.854 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948971 1035120110 /nfs/dbraw/zinc/12/01/10/1035120110.db2.gz URUSQEJNDHYDFJ-OFNKIYASSA-N 2 1 381.539 3.854 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948971 1035120114 /nfs/dbraw/zinc/12/01/14/1035120114.db2.gz URUSQEJNDHYDFJ-OFNKIYASSA-N 2 1 381.539 3.854 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948971 1035120118 /nfs/dbraw/zinc/12/01/18/1035120118.db2.gz URUSQEJNDHYDFJ-OFNKIYASSA-N 2 1 381.539 3.854 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]32)cc1 ZINC001208949939 1035120284 /nfs/dbraw/zinc/12/02/84/1035120284.db2.gz ORZXFXCQAVRLHL-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)C2)cc1 ZINC001208949939 1035120289 /nfs/dbraw/zinc/12/02/89/1035120289.db2.gz ORZXFXCQAVRLHL-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C2)cc1 ZINC001208949939 1035120294 /nfs/dbraw/zinc/12/02/94/1035120294.db2.gz ORZXFXCQAVRLHL-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145139 1035122718 /nfs/dbraw/zinc/12/27/18/1035122718.db2.gz WGQPLUBOUBJPOC-MRXNPFEDSA-N 2 1 379.520 3.719 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145139 1035122725 /nfs/dbraw/zinc/12/27/25/1035122725.db2.gz WGQPLUBOUBJPOC-MRXNPFEDSA-N 2 1 379.520 3.719 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145253 1035122786 /nfs/dbraw/zinc/12/27/86/1035122786.db2.gz ZNPUBSKIOUWYKH-INIZCTEOSA-N 2 1 379.520 3.576 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145253 1035122789 /nfs/dbraw/zinc/12/27/89/1035122789.db2.gz ZNPUBSKIOUWYKH-INIZCTEOSA-N 2 1 379.520 3.576 20 0 GHADMP COc1ccccc1[C@@H](O)C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208952190 1035123304 /nfs/dbraw/zinc/12/33/04/1035123304.db2.gz HKVQAVYESYYGEL-GMAHTHKFSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@@H](O)C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208952190 1035123308 /nfs/dbraw/zinc/12/33/08/1035123308.db2.gz HKVQAVYESYYGEL-GMAHTHKFSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@@H](O)C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208952190 1035123309 /nfs/dbraw/zinc/12/33/09/1035123309.db2.gz HKVQAVYESYYGEL-GMAHTHKFSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@@H](O)C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208952190 1035123313 /nfs/dbraw/zinc/12/33/13/1035123313.db2.gz HKVQAVYESYYGEL-GMAHTHKFSA-N 2 1 382.548 3.961 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953660 1035127829 /nfs/dbraw/zinc/12/78/29/1035127829.db2.gz RQHOCLLWCWFKMJ-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953660 1035127837 /nfs/dbraw/zinc/12/78/37/1035127837.db2.gz RQHOCLLWCWFKMJ-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208953660 1035127845 /nfs/dbraw/zinc/12/78/45/1035127845.db2.gz RQHOCLLWCWFKMJ-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208953660 1035127851 /nfs/dbraw/zinc/12/78/51/1035127851.db2.gz RQHOCLLWCWFKMJ-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC001232150407 1035129067 /nfs/dbraw/zinc/12/90/67/1035129067.db2.gz VLNMZLNGKYURNQ-UHFFFAOYSA-N 2 1 378.495 3.758 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208956578 1035129416 /nfs/dbraw/zinc/12/94/16/1035129416.db2.gz BQTLZUIDBPOMDP-REWPJTCUSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208956578 1035129423 /nfs/dbraw/zinc/12/94/23/1035129423.db2.gz BQTLZUIDBPOMDP-REWPJTCUSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208956578 1035129431 /nfs/dbraw/zinc/12/94/31/1035129431.db2.gz BQTLZUIDBPOMDP-REWPJTCUSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001232151036 1035130325 /nfs/dbraw/zinc/13/03/25/1035130325.db2.gz JUXIBBJBSSZKDQ-YSIASYRMSA-N 2 1 391.531 3.622 20 0 GHADMP CC1(C)[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001208959600 1035131185 /nfs/dbraw/zinc/13/11/85/1035131185.db2.gz SRCYYVMGPHQKRW-CJFMBICVSA-N 2 1 390.527 3.850 20 0 GHADMP CC1(C)[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001208959600 1035131188 /nfs/dbraw/zinc/13/11/88/1035131188.db2.gz SRCYYVMGPHQKRW-CJFMBICVSA-N 2 1 390.527 3.850 20 0 GHADMP CC1(C)[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001208959600 1035131192 /nfs/dbraw/zinc/13/11/92/1035131192.db2.gz SRCYYVMGPHQKRW-CJFMBICVSA-N 2 1 390.527 3.850 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208963530 1035132562 /nfs/dbraw/zinc/13/25/62/1035132562.db2.gz OOUUOSKTNFTKTF-RPWUZVMVSA-N 2 1 392.543 3.964 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208963530 1035132566 /nfs/dbraw/zinc/13/25/66/1035132566.db2.gz OOUUOSKTNFTKTF-RPWUZVMVSA-N 2 1 392.543 3.964 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208963530 1035132571 /nfs/dbraw/zinc/13/25/71/1035132571.db2.gz OOUUOSKTNFTKTF-RPWUZVMVSA-N 2 1 392.543 3.964 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209005569 1035146538 /nfs/dbraw/zinc/14/65/38/1035146538.db2.gz SZUSGVNWWAICIC-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209005569 1035146542 /nfs/dbraw/zinc/14/65/42/1035146542.db2.gz SZUSGVNWWAICIC-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209005569 1035146547 /nfs/dbraw/zinc/14/65/47/1035146547.db2.gz SZUSGVNWWAICIC-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209005569 1035146553 /nfs/dbraw/zinc/14/65/53/1035146553.db2.gz SZUSGVNWWAICIC-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CN(CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001209138757 1035189682 /nfs/dbraw/zinc/18/96/82/1035189682.db2.gz BTRQHMIKGDQURY-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001209138757 1035189686 /nfs/dbraw/zinc/18/96/86/1035189686.db2.gz BTRQHMIKGDQURY-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001161489135 1035240089 /nfs/dbraw/zinc/24/00/89/1035240089.db2.gz KLAYQCCOFZZLFV-FPOVZHCZSA-N 2 1 377.960 3.845 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1Cc3ccccc3C1)CC2 ZINC001209320692 1035242014 /nfs/dbraw/zinc/24/20/14/1035242014.db2.gz KMOKYUCBWILQND-JOCHJYFZSA-N 2 1 380.532 3.750 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209366436 1035255942 /nfs/dbraw/zinc/25/59/42/1035255942.db2.gz XNROCKDEIVDSJD-QHCPKHFHSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209366436 1035255943 /nfs/dbraw/zinc/25/59/43/1035255943.db2.gz XNROCKDEIVDSJD-QHCPKHFHSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209366436 1035255944 /nfs/dbraw/zinc/25/59/44/1035255944.db2.gz XNROCKDEIVDSJD-QHCPKHFHSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C[C@@H](C)O1 ZINC001209383350 1035264460 /nfs/dbraw/zinc/26/44/60/1035264460.db2.gz VLSFPPGGEBYKTN-QWFCFKBJSA-N 2 1 376.541 3.539 20 0 GHADMP CC[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468378 1035282305 /nfs/dbraw/zinc/28/23/05/1035282305.db2.gz MAHWRQUUCKNJFX-UXHICEINSA-N 2 1 375.557 3.744 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cnc1OC ZINC001209613693 1035330971 /nfs/dbraw/zinc/33/09/71/1035330971.db2.gz SPFXBDDSSHDIHH-UHFFFAOYSA-N 2 1 387.549 3.648 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)c2ccccc2[nH+]1 ZINC001209621836 1035333087 /nfs/dbraw/zinc/33/30/87/1035333087.db2.gz ODEZENBLJGULTH-UHFFFAOYSA-N 2 1 387.531 3.861 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cccc(Br)c2Cl)no1 ZINC001248194364 1035622778 /nfs/dbraw/zinc/62/27/78/1035622778.db2.gz HNRWSNLVVFPDFG-LBPRGKRZSA-N 2 1 387.709 3.884 20 0 GHADMP CCOc1cc(Br)ccc1-c1noc([C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001248195000 1035624071 /nfs/dbraw/zinc/62/40/71/1035624071.db2.gz QXYBMWFZJCIZHV-AWEZNQCLSA-N 2 1 397.317 3.630 20 0 GHADMP CCOc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc1Br ZINC001248195148 1035624152 /nfs/dbraw/zinc/62/41/52/1035624152.db2.gz RWNNPJRYZQMUIH-AWEZNQCLSA-N 2 1 397.317 3.630 20 0 GHADMP COCC[N@@H+](C)Cc1ccnc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001241759280 1035680788 /nfs/dbraw/zinc/68/07/88/1035680788.db2.gz WPHIRTROIGAFMK-UHFFFAOYSA-N 2 1 383.536 3.692 20 0 GHADMP C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462014664 1069946770 /nfs/dbraw/zinc/94/67/70/1069946770.db2.gz QVPNAYIRSBJEIH-GSJMMOJRSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001462014664 1069946774 /nfs/dbraw/zinc/94/67/74/1069946774.db2.gz QVPNAYIRSBJEIH-GSJMMOJRSA-N 2 1 385.596 3.520 20 0 GHADMP C[N@H+](Cc1cnn2ccc(Cl)nc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001248877083 1036217371 /nfs/dbraw/zinc/21/73/71/1036217371.db2.gz AUZMUPFOEDWVCO-UHFFFAOYSA-N 2 1 383.927 3.727 20 0 GHADMP COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001244158642 1036401249 /nfs/dbraw/zinc/40/12/49/1036401249.db2.gz MHXPICKTXWCFMN-QFIPXVFZSA-N 2 1 380.536 3.666 20 0 GHADMP CN(C(=O)c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1)c1ccccc1 ZINC001245127007 1036770173 /nfs/dbraw/zinc/77/01/73/1036770173.db2.gz OGNDEHGMGVBWBI-UHFFFAOYSA-N 2 1 382.467 3.965 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246017886 1037139396 /nfs/dbraw/zinc/13/93/96/1037139396.db2.gz BWLDDARUDBNJKP-QFBILLFUSA-N 2 1 388.930 3.966 20 0 GHADMP O[C@@H](C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC001246028525 1037146648 /nfs/dbraw/zinc/14/66/48/1037146648.db2.gz NRRACPFURPNSGS-GOTSBHOMSA-N 2 1 398.522 3.663 20 0 GHADMP CC(C)c1ccc(OC[C@@H](O)C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001246043333 1037157772 /nfs/dbraw/zinc/15/77/72/1037157772.db2.gz CBMHJDUVWZQVAX-QFIPXVFZSA-N 2 1 394.559 3.687 20 0 GHADMP C[N@@H+](CC[C@H](c1cccs1)c1ccc(O)c2ccccc21)C[C@]1(O)CC[NH2+]C1 ZINC001246054573 1037167531 /nfs/dbraw/zinc/16/75/31/1037167531.db2.gz JVXDYCVEBBKSHE-REWPJTCUSA-N 2 1 396.556 3.785 20 0 GHADMP CC(C)(C)[C@@H](O)C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054701 1037168129 /nfs/dbraw/zinc/16/81/29/1037168129.db2.gz JARQFUJHJSJXEH-KRWDZBQOSA-N 2 1 376.438 3.806 20 0 GHADMP CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054701 1037168145 /nfs/dbraw/zinc/16/81/45/1037168145.db2.gz JARQFUJHJSJXEH-KRWDZBQOSA-N 2 1 376.438 3.806 20 0 GHADMP C[N@@H+](CC[C@H](c1cccs1)c1ccc(O)c2ccccc21)C[C@@]1(O)CC[NH2+]C1 ZINC001246054568 1037168321 /nfs/dbraw/zinc/16/83/21/1037168321.db2.gz JVXDYCVEBBKSHE-NZQKXSOJSA-N 2 1 396.556 3.785 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054893 1037168951 /nfs/dbraw/zinc/16/89/51/1037168951.db2.gz LFERUZNJZXKFJF-NRFANRHFSA-N 2 1 378.438 3.700 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054893 1037168968 /nfs/dbraw/zinc/16/89/68/1037168968.db2.gz LFERUZNJZXKFJF-NRFANRHFSA-N 2 1 378.438 3.700 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](CC1(O)CC[NH2+]CC1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001246062229 1037172629 /nfs/dbraw/zinc/17/26/29/1037172629.db2.gz ZSSDBFUZDLIDEH-FGCOXFRFSA-N 2 1 394.559 3.912 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246067337 1037181366 /nfs/dbraw/zinc/18/13/66/1037181366.db2.gz PMDFPBXHYJBROR-YPAWHYETSA-N 2 1 386.511 3.646 20 0 GHADMP CC1(CN[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246093584 1037193496 /nfs/dbraw/zinc/19/34/96/1037193496.db2.gz JNXYLKQGJRACRN-DGWZTRNLSA-N 2 1 389.587 3.951 20 0 GHADMP CC1(C[NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246093584 1037193518 /nfs/dbraw/zinc/19/35/18/1037193518.db2.gz JNXYLKQGJRACRN-DGWZTRNLSA-N 3 1 389.587 3.951 20 0 GHADMP CC1(C[NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246093584 1037193532 /nfs/dbraw/zinc/19/35/32/1037193532.db2.gz JNXYLKQGJRACRN-DGWZTRNLSA-N 3 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H](NC[C@@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115193 1037198782 /nfs/dbraw/zinc/19/87/82/1037198782.db2.gz REWVUYCUNZPZCY-BIGMCNFVSA-N 2 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]C[C@@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115193 1037198788 /nfs/dbraw/zinc/19/87/88/1037198788.db2.gz REWVUYCUNZPZCY-BIGMCNFVSA-N 3 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]C[C@@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115193 1037198790 /nfs/dbraw/zinc/19/87/90/1037198790.db2.gz REWVUYCUNZPZCY-BIGMCNFVSA-N 3 1 389.587 3.951 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123232 1037202664 /nfs/dbraw/zinc/20/26/64/1037202664.db2.gz UKHAGUDLSRAFPN-FUDKSRODSA-N 3 1 387.612 3.672 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123983 1037204278 /nfs/dbraw/zinc/20/42/78/1037204278.db2.gz WBMYITFETNHYHO-REWPJTCUSA-N 3 1 395.566 3.848 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246126383 1037207046 /nfs/dbraw/zinc/20/70/46/1037207046.db2.gz LIQHJLCWJQSRMW-IEXUWNMDSA-N 3 1 391.559 3.844 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246168738 1037222183 /nfs/dbraw/zinc/22/21/83/1037222183.db2.gz GMPDTMQOSATWMY-RBBKRZOGSA-N 2 1 389.559 3.552 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC001246184474 1037225775 /nfs/dbraw/zinc/22/57/75/1037225775.db2.gz SEUUBHYPGODPNC-YADHBBJMSA-N 3 1 385.596 3.568 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)CCN1Cc1ccccc1 ZINC001246184474 1037225781 /nfs/dbraw/zinc/22/57/81/1037225781.db2.gz SEUUBHYPGODPNC-YADHBBJMSA-N 2 1 385.596 3.568 20 0 GHADMP [NH3+][C@H]1C[C@H](N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189594 1037230081 /nfs/dbraw/zinc/23/00/81/1037230081.db2.gz OEGATVRUVRQQOK-FXEFVXDJSA-N 3 1 375.560 3.831 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246269187 1037266441 /nfs/dbraw/zinc/26/64/41/1037266441.db2.gz JPOROEWQLSKXCC-MEZWHVQBSA-N 2 1 376.516 3.886 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246269197 1037266715 /nfs/dbraw/zinc/26/67/15/1037266715.db2.gz JPOROEWQLSKXCC-VGUOSERISA-N 2 1 376.516 3.886 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C1CCC2(C[NH2+]C2)CC1 ZINC001246284147 1037275441 /nfs/dbraw/zinc/27/54/41/1037275441.db2.gz ZXBJHTBYXICMBV-HQRMLTQVSA-N 2 1 382.589 3.612 20 0 GHADMP CCOC(=O)C1=C(N[C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246291437 1037281221 /nfs/dbraw/zinc/28/12/21/1037281221.db2.gz LPANNUMMJKSZPE-WKCHPHFGSA-N 2 1 399.579 3.608 20 0 GHADMP [NH3+][C@@H](Cc1cn([C@@H]2CCC[NH2+]CC2)c2ccccc12)C(=O)OCc1ccccc1 ZINC001246311141 1037289855 /nfs/dbraw/zinc/28/98/55/1037289855.db2.gz KILPNXSUCSMGID-IRLDBZIGSA-N 2 1 391.515 3.569 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246342231 1037304879 /nfs/dbraw/zinc/30/48/79/1037304879.db2.gz QXUPKQIPPFTVNP-KCPJHIHWSA-N 2 1 379.264 3.900 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+][C@H](CO)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246348042 1037307710 /nfs/dbraw/zinc/30/77/10/1037307710.db2.gz KSEBAFLJNDBKBF-SVFBPWRDSA-N 2 1 376.903 3.774 20 0 GHADMP COc1ccc(C2(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246379399 1037336459 /nfs/dbraw/zinc/33/64/59/1037336459.db2.gz DJNLYATXVOSYOU-KNQAVFIVSA-N 2 1 379.548 3.527 20 0 GHADMP COc1ccccc1C1(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC001246378328 1037336971 /nfs/dbraw/zinc/33/69/71/1037336971.db2.gz WFRPJWCPPOESGG-IFMALSPDSA-N 2 1 393.575 3.917 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](CC)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246393727 1037353990 /nfs/dbraw/zinc/35/39/90/1037353990.db2.gz HKCPQWZYQNVWIP-CWEQDWBBSA-N 2 1 399.535 3.575 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](CC)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246393731 1037354445 /nfs/dbraw/zinc/35/44/45/1037354445.db2.gz HKCPQWZYQNVWIP-GIJXAMHUSA-N 2 1 399.535 3.575 20 0 GHADMP Fc1ccccc1C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC001246435395 1037397162 /nfs/dbraw/zinc/39/71/62/1037397162.db2.gz ICSWVWTZTZYZLR-UHFFFAOYSA-N 3 1 381.539 3.701 20 0 GHADMP Fc1ccccc1CC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246435119 1037397906 /nfs/dbraw/zinc/39/79/06/1037397906.db2.gz RXHKMTCJMONFIY-JTHBVZDNSA-N 3 1 381.539 3.821 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](OC(=O)NC(C)(C)C)C2)CC[NH2+]1 ZINC001246495973 1037441311 /nfs/dbraw/zinc/44/13/11/1037441311.db2.gz CLAQMGVCPMYMRP-SOAMZJECSA-N 2 1 391.531 3.963 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246499828 1037444405 /nfs/dbraw/zinc/44/44/05/1037444405.db2.gz GHAJTVYJUIQJTL-YOEHRIQHSA-N 2 1 399.373 3.809 20 0 GHADMP C[C@H](Cc1cccc(Br)c1)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246501033 1037444461 /nfs/dbraw/zinc/44/44/61/1037444461.db2.gz JZMPIULCGOOWTH-PBHICJAKSA-N 2 1 399.373 3.809 20 0 GHADMP CC[C@@H]1C[C@H](NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCOC)C[C@H](CC)[NH2+]1 ZINC001246512294 1037449375 /nfs/dbraw/zinc/44/93/75/1037449375.db2.gz FBWXCJCCDBFZQX-IVAOSVALSA-N 2 1 381.992 3.858 20 0 GHADMP CC[C@@H]1C[C@H](NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)C[C@H](CC)[NH2+]1 ZINC001246512294 1037449412 /nfs/dbraw/zinc/44/94/12/1037449412.db2.gz FBWXCJCCDBFZQX-IVAOSVALSA-N 2 1 381.992 3.858 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N4CCC45C[NH2+]C5)C[C@@H]23)cc1 ZINC001246612100 1037504262 /nfs/dbraw/zinc/50/42/62/1037504262.db2.gz QGEBHEAGPGOFGG-DGWZTRNLSA-N 2 1 387.571 3.799 20 0 GHADMP C[C@H](Cc1cccnc1)[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617718 1037506040 /nfs/dbraw/zinc/50/60/40/1037506040.db2.gz FWSMRRCHMCQMGI-OFNKIYASSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H](Cc1ccccn1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622274 1037511552 /nfs/dbraw/zinc/51/15/52/1037511552.db2.gz YPEWEMZDKZWXOP-NZQKXSOJSA-N 2 1 379.548 3.816 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001246632525 1037518410 /nfs/dbraw/zinc/51/84/10/1037518410.db2.gz WTOIQCFHPCLJLQ-FQEVSTJZSA-N 2 1 382.935 3.953 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001246632525 1037518423 /nfs/dbraw/zinc/51/84/23/1037518423.db2.gz WTOIQCFHPCLJLQ-FQEVSTJZSA-N 2 1 382.935 3.953 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CSc3ccccc3C1)CC2 ZINC001246632533 1037518674 /nfs/dbraw/zinc/51/86/74/1037518674.db2.gz WXJMEUAYKLNDRV-LJQANCHMSA-N 2 1 380.557 3.849 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246656926 1037530714 /nfs/dbraw/zinc/53/07/14/1037530714.db2.gz PFOPEHHAJRJNAC-GHJWDPDVSA-N 2 1 379.253 3.934 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+]([C@H](C)CSc3ccc(Cl)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001246683026 1037544736 /nfs/dbraw/zinc/54/47/36/1037544736.db2.gz PSJNRCRHVSFJGI-GUXCAODWSA-N 2 1 396.984 3.685 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246683349 1037546387 /nfs/dbraw/zinc/54/63/87/1037546387.db2.gz RZQVBNMWWUMXFW-DNVKUUNQSA-N 2 1 392.543 3.873 20 0 GHADMP Fc1ccc(N2CCC([N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246686343 1037548068 /nfs/dbraw/zinc/54/80/68/1037548068.db2.gz RRCULBULWXYWBH-RPWUZVMVSA-N 2 1 379.523 3.874 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)CC2 ZINC001246687109 1037549350 /nfs/dbraw/zinc/54/93/50/1037549350.db2.gz VABXQFHSVSEBHY-XVIDSWORSA-N 2 1 396.575 3.752 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690318 1037550662 /nfs/dbraw/zinc/55/06/62/1037550662.db2.gz KIJLMXPFAJSVLV-BOWFFMLLSA-N 2 1 380.548 3.502 20 0 GHADMP CC[C@@H]1[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246719356 1037569424 /nfs/dbraw/zinc/56/94/24/1037569424.db2.gz FKVCYNSKWQYJNO-URXFXBBRSA-N 2 1 387.612 3.944 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC[NH2+]1 ZINC001246723218 1037573544 /nfs/dbraw/zinc/57/35/44/1037573544.db2.gz WPMMCIYAASNVJZ-VQTJNVASSA-N 2 1 382.527 3.994 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CC[NH2+]1 ZINC001246729146 1037577131 /nfs/dbraw/zinc/57/71/31/1037577131.db2.gz NNGXEJVJFHBIHD-AOHZBQACSA-N 2 1 383.580 3.730 20 0 GHADMP c1cc(C[N@@H+]2CCC3(C2)CCN([C@H]2CC[NH2+][C@@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749281 1037587792 /nfs/dbraw/zinc/58/77/92/1037587792.db2.gz BVNZKBFPRVHJDF-ZEQRLZLVSA-N 2 1 393.575 3.931 20 0 GHADMP CC[C@@H]1CC(N2CCC3(CC2)CN(Cc2ccccc2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246755695 1037596970 /nfs/dbraw/zinc/59/69/70/1037596970.db2.gz IYGUHMOKCQVLRP-FGZHOGPDSA-N 3 1 385.596 3.663 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4CCC5(CCC[NH2+]C5)CC4)C3)CC2=O)s1 ZINC001246760224 1037604012 /nfs/dbraw/zinc/60/40/12/1037604012.db2.gz VIGPHBKMFIAIJU-UDJZJCJKSA-N 2 1 387.593 3.798 20 0 GHADMP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246769488 1037609325 /nfs/dbraw/zinc/60/93/25/1037609325.db2.gz ISGCWVQCWQJDQB-FQEVSTJZSA-N 2 1 384.955 3.942 20 0 GHADMP Clc1ccc2c(c1)C[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246769488 1037609344 /nfs/dbraw/zinc/60/93/44/1037609344.db2.gz ISGCWVQCWQJDQB-FQEVSTJZSA-N 2 1 384.955 3.942 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@@H](CC)[NH2+]1 ZINC001246766370 1037610638 /nfs/dbraw/zinc/61/06/38/1037610638.db2.gz AOYWUKBJYFHLAG-PNCHPQGNSA-N 2 1 398.551 3.545 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@@H](CC)[NH2+]1 ZINC001246766370 1037610651 /nfs/dbraw/zinc/61/06/51/1037610651.db2.gz AOYWUKBJYFHLAG-PNCHPQGNSA-N 2 1 398.551 3.545 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)C1=O ZINC001246780918 1037620511 /nfs/dbraw/zinc/62/05/11/1037620511.db2.gz VVPVWIZMZMFANZ-ZHRMCQFGSA-N 2 1 383.580 3.799 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246782661 1037623716 /nfs/dbraw/zinc/62/37/16/1037623716.db2.gz RETKQMIAGLQEMC-FDFHNCONSA-N 2 1 380.532 3.902 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246782661 1037623721 /nfs/dbraw/zinc/62/37/21/1037623721.db2.gz RETKQMIAGLQEMC-FDFHNCONSA-N 2 1 380.532 3.902 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246870390 1037686500 /nfs/dbraw/zinc/68/65/00/1037686500.db2.gz AMIZKNUFKGVGGX-STSQHVNTSA-N 2 1 382.935 3.679 20 0 GHADMP COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246882923 1037699434 /nfs/dbraw/zinc/69/94/34/1037699434.db2.gz KANZSBSVAYXABI-UGKGYDQZSA-N 2 1 380.532 3.649 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246914259 1037722128 /nfs/dbraw/zinc/72/21/28/1037722128.db2.gz KPUGZLVMECFOAB-WWEWDKITSA-N 2 1 376.516 3.889 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001246915901 1037724274 /nfs/dbraw/zinc/72/42/74/1037724274.db2.gz ZDZUAXZIKLHELC-YCAMKHIRSA-N 2 1 392.543 3.976 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001246915901 1037724293 /nfs/dbraw/zinc/72/42/93/1037724293.db2.gz ZDZUAXZIKLHELC-YCAMKHIRSA-N 2 1 392.543 3.976 20 0 GHADMP C[NH2+]C1CCC([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CC1 ZINC001246935426 1037738104 /nfs/dbraw/zinc/73/81/04/1037738104.db2.gz FALFUSONXSUNCY-UHFFFAOYSA-N 2 1 380.374 3.534 20 0 GHADMP C[NH2+]C1CCC([N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001246935426 1037738125 /nfs/dbraw/zinc/73/81/25/1037738125.db2.gz FALFUSONXSUNCY-UHFFFAOYSA-N 2 1 380.374 3.534 20 0 GHADMP C[NH2+]C1CCC([N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001246935426 1037738147 /nfs/dbraw/zinc/73/81/47/1037738147.db2.gz FALFUSONXSUNCY-UHFFFAOYSA-N 2 1 380.374 3.534 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([N@@H+]3CCCC4(CN(Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246935904 1037740003 /nfs/dbraw/zinc/74/00/03/1037740003.db2.gz CPJCGZWCEBSDEY-RPBOFIJWSA-N 2 1 389.587 3.948 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCCC4(CN(Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246935904 1037740017 /nfs/dbraw/zinc/74/00/17/1037740017.db2.gz CPJCGZWCEBSDEY-RPBOFIJWSA-N 2 1 389.587 3.948 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC001246941180 1037747606 /nfs/dbraw/zinc/74/76/06/1037747606.db2.gz HNUCNRYOHCURHD-RPBOFIJWSA-N 3 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246941180 1037747623 /nfs/dbraw/zinc/74/76/23/1037747623.db2.gz HNUCNRYOHCURHD-RPBOFIJWSA-N 2 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246941180 1037747642 /nfs/dbraw/zinc/74/76/42/1037747642.db2.gz HNUCNRYOHCURHD-RPBOFIJWSA-N 2 1 395.566 3.991 20 0 GHADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC2 ZINC001246941398 1037747795 /nfs/dbraw/zinc/74/77/95/1037747795.db2.gz KHKYLSOKWACTOS-DNVJHFABSA-N 2 1 384.564 3.795 20 0 GHADMP Clc1ccccc1C[N@@H+](C1CC[NH2+]CC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001246951208 1037753478 /nfs/dbraw/zinc/75/34/78/1037753478.db2.gz IPOPNDZNCMCEEF-UHFFFAOYSA-N 3 1 391.987 3.537 20 0 GHADMP Clc1ccccc1CN(C1CC[NH2+]CC1)C1CCC([NH+]2CCOCC2)CC1 ZINC001246951208 1037753500 /nfs/dbraw/zinc/75/35/00/1037753500.db2.gz IPOPNDZNCMCEEF-UHFFFAOYSA-N 2 1 391.987 3.537 20 0 GHADMP COc1ccc(CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246952289 1037755241 /nfs/dbraw/zinc/75/52/41/1037755241.db2.gz KLUBHBINGYHUQV-HYBUGGRVSA-N 2 1 393.575 3.912 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246952847 1037760202 /nfs/dbraw/zinc/76/02/02/1037760202.db2.gz XZFIFAZOKLLNLQ-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3c(C)cccc3C2)c1 ZINC001246954034 1037761180 /nfs/dbraw/zinc/76/11/80/1037761180.db2.gz GBZVHMPDJRTSJO-QHCPKHFHSA-N 2 1 392.543 3.893 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246956294 1037764089 /nfs/dbraw/zinc/76/40/89/1037764089.db2.gz RLFXHFYHXHMLLA-HNAYVOBHSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246956294 1037764108 /nfs/dbraw/zinc/76/41/08/1037764108.db2.gz RLFXHFYHXHMLLA-HNAYVOBHSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246957020 1037770107 /nfs/dbraw/zinc/77/01/07/1037770107.db2.gz WZKHAOASJSYNOK-KRWDZBQOSA-N 2 1 395.494 3.530 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246965041 1037787179 /nfs/dbraw/zinc/78/71/79/1037787179.db2.gz FXGGFSCWWCSWDS-FQEVSTJZSA-N 2 1 382.552 3.811 20 0 GHADMP C[C@@H]1CC([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C[C@@H](C)[NH2+]1 ZINC001246983793 1037809119 /nfs/dbraw/zinc/80/91/19/1037809119.db2.gz JGIOHJAWWQTJLJ-WOJBJXKFSA-N 2 1 379.548 3.917 20 0 GHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001246998734 1037825121 /nfs/dbraw/zinc/82/51/21/1037825121.db2.gz ZSSHXVKGSKLCLM-VABKMULXSA-N 2 1 378.516 3.973 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)CCC12C[NH2+]C2 ZINC001247011594 1037835638 /nfs/dbraw/zinc/83/56/38/1037835638.db2.gz YKLLTZWGZCQFQB-LYBXBRPPSA-N 2 1 390.955 3.841 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cn1 ZINC001232326507 1038102746 /nfs/dbraw/zinc/10/27/46/1038102746.db2.gz JLFOSZQONNOICZ-SFHVURJKSA-N 2 1 387.549 3.652 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cn3cc(F)ccc3n1)CC2 ZINC001232411049 1038194275 /nfs/dbraw/zinc/19/42/75/1038194275.db2.gz OENZAEOLPOBFDP-FQEVSTJZSA-N 2 1 382.483 3.943 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001232597540 1038373264 /nfs/dbraw/zinc/37/32/64/1038373264.db2.gz VVKARLNKKZMCSH-UHFFFAOYSA-N 2 1 381.911 3.968 20 0 GHADMP COc1cccc(C)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001232622327 1038409996 /nfs/dbraw/zinc/40/99/96/1038409996.db2.gz PGTUQIVYOUALDE-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP FC(F)(F)Oc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247906013 1038479365 /nfs/dbraw/zinc/47/93/65/1038479365.db2.gz RRXCOAHFCUFHTM-CQSZACIVSA-N 2 1 396.413 3.567 20 0 GHADMP Fc1ccc(C(F)(F)F)c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247907397 1038480725 /nfs/dbraw/zinc/48/07/25/1038480725.db2.gz SDHILGFHSOEHIJ-LBPRGKRZSA-N 2 1 398.404 3.826 20 0 GHADMP Fc1c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cccc1C(F)(F)F ZINC001247908815 1038482021 /nfs/dbraw/zinc/48/20/21/1038482021.db2.gz XACNDNAXXIYEDS-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1F ZINC001232705446 1038504602 /nfs/dbraw/zinc/50/46/02/1038504602.db2.gz ZLGXETWQMJTCFU-UHFFFAOYSA-N 2 1 386.467 3.693 20 0 GHADMP C[NH2+][C@H](c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1)[C@@H](C)OC(C)(C)C ZINC001247975692 1038521510 /nfs/dbraw/zinc/52/15/10/1038521510.db2.gz RYRYHXAZMKAQHT-IZMZXHESSA-N 2 1 385.512 3.662 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(C)cc(O)c4)CC3)C2)c1 ZINC001232881248 1038656917 /nfs/dbraw/zinc/65/69/17/1038656917.db2.gz XDNPKBVJPXGBRX-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)cc(O)c4)CC3)C2)c1 ZINC001232881248 1038656919 /nfs/dbraw/zinc/65/69/19/1038656919.db2.gz XDNPKBVJPXGBRX-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462304319 1070157299 /nfs/dbraw/zinc/15/72/99/1070157299.db2.gz HJDJULUGENWSTI-OTWHNJEPSA-N 2 1 385.552 3.694 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462304319 1070157305 /nfs/dbraw/zinc/15/73/05/1070157305.db2.gz HJDJULUGENWSTI-OTWHNJEPSA-N 2 1 385.552 3.694 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cnn3ccccc13)CC2 ZINC001233237036 1038996152 /nfs/dbraw/zinc/99/61/52/1038996152.db2.gz ODBNTFFXGHNHRB-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001233250076 1039011935 /nfs/dbraw/zinc/01/19/35/1039011935.db2.gz UMYLMNSMYIMLNY-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001233250076 1039011956 /nfs/dbraw/zinc/01/19/56/1039011956.db2.gz UMYLMNSMYIMLNY-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001233250076 1039011973 /nfs/dbraw/zinc/01/19/73/1039011973.db2.gz UMYLMNSMYIMLNY-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP O=c1ccc2c(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295346 1039086491 /nfs/dbraw/zinc/08/64/91/1039086491.db2.gz XMEDRZOZNWXTKL-UYAOXDASSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295346 1039086510 /nfs/dbraw/zinc/08/65/10/1039086510.db2.gz XMEDRZOZNWXTKL-UYAOXDASSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295346 1039086526 /nfs/dbraw/zinc/08/65/26/1039086526.db2.gz XMEDRZOZNWXTKL-UYAOXDASSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295346 1039086542 /nfs/dbraw/zinc/08/65/42/1039086542.db2.gz XMEDRZOZNWXTKL-UYAOXDASSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295346 1039086563 /nfs/dbraw/zinc/08/65/63/1039086563.db2.gz XMEDRZOZNWXTKL-UYAOXDASSA-N 2 1 389.499 3.600 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC001233324724 1039119169 /nfs/dbraw/zinc/11/91/69/1039119169.db2.gz PQVLVPHGNAUFTL-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c1 ZINC001233324776 1039119447 /nfs/dbraw/zinc/11/94/47/1039119447.db2.gz RMYBHHAJYHFIMY-OAQYLSRUSA-N 2 1 397.519 3.728 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3ccnc(Cl)c3F)C[C@H]2CC1 ZINC001278683581 1039187520 /nfs/dbraw/zinc/18/75/20/1039187520.db2.gz HSRONWIUCWAMJN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccnc(Cl)c3F)C[C@H]2CC1 ZINC001278683581 1039187530 /nfs/dbraw/zinc/18/75/30/1039187530.db2.gz HSRONWIUCWAMJN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccnc(Cl)c3F)C[C@H]2CC1 ZINC001278683581 1039187537 /nfs/dbraw/zinc/18/75/37/1039187537.db2.gz HSRONWIUCWAMJN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3F)C[C@H]2CC1 ZINC001278683581 1039187545 /nfs/dbraw/zinc/18/75/45/1039187545.db2.gz HSRONWIUCWAMJN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccnc(Cl)c3F)C[C@H]2CC1 ZINC001278683581 1039187550 /nfs/dbraw/zinc/18/75/50/1039187550.db2.gz HSRONWIUCWAMJN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC001252843599 1039202957 /nfs/dbraw/zinc/20/29/57/1039202957.db2.gz WJJRXUJQSSZOJU-GOTSBHOMSA-N 2 1 398.522 3.615 20 0 GHADMP COc1cccc([C@H]2CCCC[N@@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001252929693 1039266406 /nfs/dbraw/zinc/26/64/06/1039266406.db2.gz IGIIWKCMMLNASJ-RPWUZVMVSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@H]2CCCC[N@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001252929693 1039266420 /nfs/dbraw/zinc/26/64/20/1039266420.db2.gz IGIIWKCMMLNASJ-RPWUZVMVSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@H]2CCCC[NH+]2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252929693 1039266429 /nfs/dbraw/zinc/26/64/29/1039266429.db2.gz IGIIWKCMMLNASJ-RPWUZVMVSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@H]2CCCC[NH+]2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001252929693 1039266443 /nfs/dbraw/zinc/26/64/43/1039266443.db2.gz IGIIWKCMMLNASJ-RPWUZVMVSA-N 2 1 380.532 3.859 20 0 GHADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c[nH]c2ccccc21 ZINC001252949600 1039293961 /nfs/dbraw/zinc/29/39/61/1039293961.db2.gz QMAHLVOVASCHFT-XMMPIXPASA-N 2 1 377.532 3.672 20 0 GHADMP CC(C)(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2ccccc21 ZINC001252949600 1039293965 /nfs/dbraw/zinc/29/39/65/1039293965.db2.gz QMAHLVOVASCHFT-XMMPIXPASA-N 2 1 377.532 3.672 20 0 GHADMP CC[NH+](CC)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001253194665 1039470153 /nfs/dbraw/zinc/47/01/53/1039470153.db2.gz MRYLZUVXTLWVIU-OFNKIYASSA-N 2 1 384.564 3.831 20 0 GHADMP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1 ZINC001253195561 1039470279 /nfs/dbraw/zinc/47/02/79/1039470279.db2.gz RETLDNVPLPUJSR-ZEQRLZLVSA-N 2 1 396.575 3.744 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253300552 1039546353 /nfs/dbraw/zinc/54/63/53/1039546353.db2.gz YQSIWYNVWFOQJA-ZEQRLZLVSA-N 2 1 396.575 3.845 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253300552 1039546365 /nfs/dbraw/zinc/54/63/65/1039546365.db2.gz YQSIWYNVWFOQJA-ZEQRLZLVSA-N 2 1 396.575 3.845 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001253408251 1039606115 /nfs/dbraw/zinc/60/61/15/1039606115.db2.gz AFBIONFFZVRVPB-WMZOPIPTSA-N 2 1 391.556 3.602 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C[C@H](O)COC(C)(C)C)CC3)C2)cc1 ZINC001253452571 1039649141 /nfs/dbraw/zinc/64/91/41/1039649141.db2.gz LHOBLDBKJBXXMT-QFIPXVFZSA-N 2 1 388.596 3.849 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001253948217 1039919768 /nfs/dbraw/zinc/91/97/68/1039919768.db2.gz VDOFHFFYBKYITJ-HSZRJFAPSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC001253948217 1039919772 /nfs/dbraw/zinc/91/97/72/1039919772.db2.gz VDOFHFFYBKYITJ-HSZRJFAPSA-N 2 1 398.595 3.654 20 0 GHADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001254391963 1040206599 /nfs/dbraw/zinc/20/65/99/1040206599.db2.gz PQOOAUZKHRPAKU-HXUWFJFHSA-N 2 1 392.613 3.618 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)CC1 ZINC001254522197 1040295050 /nfs/dbraw/zinc/29/50/50/1040295050.db2.gz MPBNRVBEDGYZDL-HXUWFJFHSA-N 2 1 376.548 3.674 20 0 GHADMP CCOC(OCC)c1ccc(CN2CCC([N@@H+](C)C3CCOCC3)CC2)cc1 ZINC001234900219 1040412423 /nfs/dbraw/zinc/41/24/23/1040412423.db2.gz NNWGQVKPPIDSFN-UHFFFAOYSA-N 2 1 390.568 3.833 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001234969974 1040473270 /nfs/dbraw/zinc/47/32/70/1040473270.db2.gz FFVNIQOBGYZGDW-YLJYHZDGSA-N 2 1 376.422 3.793 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC001234969974 1040473274 /nfs/dbraw/zinc/47/32/74/1040473274.db2.gz FFVNIQOBGYZGDW-YLJYHZDGSA-N 2 1 376.422 3.793 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001254768647 1040529559 /nfs/dbraw/zinc/52/95/59/1040529559.db2.gz JVQPEJHPWCMDBU-GUDVDZBRSA-N 2 1 377.573 3.758 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235055286 1040546868 /nfs/dbraw/zinc/54/68/68/1040546868.db2.gz UPHFPJUFTGYLID-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235055286 1040546880 /nfs/dbraw/zinc/54/68/80/1040546880.db2.gz UPHFPJUFTGYLID-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254797486 1040558702 /nfs/dbraw/zinc/55/87/02/1040558702.db2.gz WMYJLORBWKXTJB-HSZRJFAPSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254797486 1040558713 /nfs/dbraw/zinc/55/87/13/1040558713.db2.gz WMYJLORBWKXTJB-HSZRJFAPSA-N 2 1 391.600 3.974 20 0 GHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnc(N3CCSCC3)c2)CC1 ZINC001462474460 1070283440 /nfs/dbraw/zinc/28/34/40/1070283440.db2.gz DVQKUTVUJHKBED-GHTZIAJQSA-N 2 1 388.625 3.768 20 0 GHADMP COc1cc(OC)c(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c2ccccc12 ZINC001235091657 1040582063 /nfs/dbraw/zinc/58/20/63/1040582063.db2.gz HAJILVBHUPQRHO-FQEVSTJZSA-N 2 1 376.447 3.678 20 0 GHADMP COc1cc(OC)c(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c2ccccc12 ZINC001235091657 1040582079 /nfs/dbraw/zinc/58/20/79/1040582079.db2.gz HAJILVBHUPQRHO-FQEVSTJZSA-N 2 1 376.447 3.678 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001254879690 1040628399 /nfs/dbraw/zinc/62/83/99/1040628399.db2.gz PTFZWUQVBNTTBN-MAODHWIISA-N 2 1 391.600 3.830 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001254879690 1040628416 /nfs/dbraw/zinc/62/84/16/1040628416.db2.gz PTFZWUQVBNTTBN-MAODHWIISA-N 2 1 391.600 3.830 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001254879690 1040628431 /nfs/dbraw/zinc/62/84/31/1040628431.db2.gz PTFZWUQVBNTTBN-MAODHWIISA-N 2 1 391.600 3.830 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001254880464 1040630363 /nfs/dbraw/zinc/63/03/63/1040630363.db2.gz JVRJELVVBJTELG-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001254880464 1040630375 /nfs/dbraw/zinc/63/03/75/1040630375.db2.gz JVRJELVVBJTELG-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235151761 1040641970 /nfs/dbraw/zinc/64/19/70/1040641970.db2.gz BCGHLEJVYSZGSV-QFIPXVFZSA-N 2 1 383.511 3.749 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235156238 1040648891 /nfs/dbraw/zinc/64/88/91/1040648891.db2.gz NIJJLXGDPVMHSN-GOSISDBHSA-N 2 1 398.332 3.954 20 0 GHADMP COc1cc(OC)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1Br ZINC001235227831 1040707587 /nfs/dbraw/zinc/70/75/87/1040707587.db2.gz JAUDBKDHGFPAPH-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001254995838 1040716394 /nfs/dbraw/zinc/71/63/94/1040716394.db2.gz DZXQHHNDPQPDKU-UTKZUKDTSA-N 2 1 399.966 3.758 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248145 1040730642 /nfs/dbraw/zinc/73/06/42/1040730642.db2.gz OMMZCDDIFLEGGS-MEKIYTOJSA-N 2 1 378.516 3.816 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248145 1040730654 /nfs/dbraw/zinc/73/06/54/1040730654.db2.gz OMMZCDDIFLEGGS-MEKIYTOJSA-N 2 1 378.516 3.816 20 0 GHADMP COC(=O)CC[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255070216 1040765191 /nfs/dbraw/zinc/76/51/91/1040765191.db2.gz UKLXOELVQWGRKS-VDKIKQQVSA-N 2 1 392.543 3.904 20 0 GHADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2cc(Br)ccn12 ZINC001235293470 1040766632 /nfs/dbraw/zinc/76/66/32/1040766632.db2.gz NFNSONWZYVITLL-IRXDYDNUSA-N 2 1 391.357 3.936 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cnc2cc(Br)ccn12 ZINC001235293470 1040766652 /nfs/dbraw/zinc/76/66/52/1040766652.db2.gz NFNSONWZYVITLL-IRXDYDNUSA-N 2 1 391.357 3.936 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cnc2cc(Br)ccn12 ZINC001235293470 1040766671 /nfs/dbraw/zinc/76/66/71/1040766671.db2.gz NFNSONWZYVITLL-IRXDYDNUSA-N 2 1 391.357 3.936 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cnc2cc(Br)ccn12 ZINC001235293470 1040766688 /nfs/dbraw/zinc/76/66/88/1040766688.db2.gz NFNSONWZYVITLL-IRXDYDNUSA-N 2 1 391.357 3.936 20 0 GHADMP O[C@H](CF)C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075837 1040767522 /nfs/dbraw/zinc/76/75/22/1040767522.db2.gz JEIZSYINIIIKRB-MOUTVQLLSA-N 2 1 382.523 3.671 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255101895 1040784187 /nfs/dbraw/zinc/78/41/87/1040784187.db2.gz ZFMINNSFAJRTFB-HYBUGGRVSA-N 2 1 391.515 3.521 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255101895 1040784197 /nfs/dbraw/zinc/78/41/97/1040784197.db2.gz ZFMINNSFAJRTFB-HYBUGGRVSA-N 2 1 391.515 3.521 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)cnc4F)CC3)C2)cc1 ZINC001235332167 1040799407 /nfs/dbraw/zinc/79/94/07/1040799407.db2.gz PEQGLZXBWIAQCQ-UHFFFAOYSA-N 2 1 383.511 3.705 20 0 GHADMP C[N@@H+](Cc1ccccc1F)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001255119980 1040808858 /nfs/dbraw/zinc/80/88/58/1040808858.db2.gz HMOZGXQSFDKQAS-HSZRJFAPSA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1ccccc1F)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255119980 1040808879 /nfs/dbraw/zinc/80/88/79/1040808879.db2.gz HMOZGXQSFDKQAS-HSZRJFAPSA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1ccccc1F)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255119980 1040808900 /nfs/dbraw/zinc/80/89/00/1040808900.db2.gz HMOZGXQSFDKQAS-HSZRJFAPSA-N 2 1 381.539 3.996 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(-c4ccsc4)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235348653 1040823253 /nfs/dbraw/zinc/82/32/53/1040823253.db2.gz FIWRPLQCJWEVTN-UNMCSNQZSA-N 2 1 384.545 3.780 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136657 1040839135 /nfs/dbraw/zinc/83/91/35/1040839135.db2.gz MWBRGWPFINASDQ-JKHIJQBDSA-N 2 1 376.548 3.789 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136657 1040839142 /nfs/dbraw/zinc/83/91/42/1040839142.db2.gz MWBRGWPFINASDQ-JKHIJQBDSA-N 2 1 376.548 3.789 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136657 1040839147 /nfs/dbraw/zinc/83/91/47/1040839147.db2.gz MWBRGWPFINASDQ-JKHIJQBDSA-N 2 1 376.548 3.789 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]12 ZINC001255143188 1040853733 /nfs/dbraw/zinc/85/37/33/1040853733.db2.gz WCCRKRMLQURWLW-BEHZJIDTSA-N 2 1 387.527 3.850 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]12 ZINC001255143188 1040853743 /nfs/dbraw/zinc/85/37/43/1040853743.db2.gz WCCRKRMLQURWLW-BEHZJIDTSA-N 2 1 387.527 3.850 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]12 ZINC001255143188 1040853762 /nfs/dbraw/zinc/85/37/62/1040853762.db2.gz WCCRKRMLQURWLW-BEHZJIDTSA-N 2 1 387.527 3.850 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365614 1040856848 /nfs/dbraw/zinc/85/68/48/1040856848.db2.gz OQHWXJBJTNEOMT-QNIAMRLHSA-N 2 1 392.543 3.847 20 0 GHADMP Clc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)ccc1OCc1ccccc1 ZINC001235367412 1040863459 /nfs/dbraw/zinc/86/34/59/1040863459.db2.gz INJDKUJACPZWJL-TXTKFYIRSA-N 2 1 398.934 3.872 20 0 GHADMP COC1CC[NH+](C2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)CC1 ZINC001255148994 1040864743 /nfs/dbraw/zinc/86/47/43/1040864743.db2.gz DXEXBJCPGGGAIF-UBRQYEGLSA-N 2 1 397.607 3.757 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ncn1 ZINC001255150632 1040867284 /nfs/dbraw/zinc/86/72/84/1040867284.db2.gz ODTYKKWRHHCCRQ-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ncn1 ZINC001255150632 1040867294 /nfs/dbraw/zinc/86/72/94/1040867294.db2.gz ODTYKKWRHHCCRQ-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC001255150632 1040867300 /nfs/dbraw/zinc/86/73/00/1040867300.db2.gz ODTYKKWRHHCCRQ-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC001255150632 1040867308 /nfs/dbraw/zinc/86/73/08/1040867308.db2.gz ODTYKKWRHHCCRQ-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Fc1cccnc1N(C1CC[NH2+]CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255149249 1040867893 /nfs/dbraw/zinc/86/78/93/1040867893.db2.gz GGHALGGWNQBWAZ-KOUNCHBCSA-N 2 1 394.538 3.975 20 0 GHADMP CC(C)(C)c1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc(C(C)(C)C)c1O ZINC001235369645 1040868814 /nfs/dbraw/zinc/86/88/14/1040868814.db2.gz SVFCFOTUPOYREI-HOOSLVGPSA-N 2 1 386.580 3.940 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369369 1040870214 /nfs/dbraw/zinc/87/02/14/1040870214.db2.gz MGAYELBKDMWCJC-NOZRDPDXSA-N 2 1 386.543 3.934 20 0 GHADMP CC(C)Oc1c(Cl)cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1Cl ZINC001235370825 1040873949 /nfs/dbraw/zinc/87/39/49/1040873949.db2.gz XKICLAWTWLTZAT-QMTMVMCOSA-N 2 1 385.335 3.733 20 0 GHADMP FC(F)(F)c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1 ZINC001235370688 1040874510 /nfs/dbraw/zinc/87/45/10/1040874510.db2.gz WAWNQSUHEAHZCQ-IIAWOOMASA-N 2 1 394.359 3.677 20 0 GHADMP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369898 1040874615 /nfs/dbraw/zinc/87/46/15/1040874615.db2.gz NMQYLJQJJITUEN-HYBUGGRVSA-N 2 1 380.532 3.765 20 0 GHADMP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369898 1040874629 /nfs/dbraw/zinc/87/46/29/1040874629.db2.gz NMQYLJQJJITUEN-HYBUGGRVSA-N 2 1 380.532 3.765 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](Cc2ccc(OC4CCOCC4)cc2)C3)cc1 ZINC001235376200 1040886593 /nfs/dbraw/zinc/88/65/93/1040886593.db2.gz AHVJKXGAMCQXMV-RPBOFIJWSA-N 2 1 392.543 3.824 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c[nH]c21 ZINC001235377977 1040891403 /nfs/dbraw/zinc/89/14/03/1040891403.db2.gz YGEMEGYKCZEMDS-QPPBQGQZSA-N 2 1 389.499 3.534 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC001255199859 1040902999 /nfs/dbraw/zinc/90/29/99/1040902999.db2.gz JRTJDRCSXFGASN-OCVXTVMPSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC001255199859 1040903004 /nfs/dbraw/zinc/90/30/04/1040903004.db2.gz JRTJDRCSXFGASN-OCVXTVMPSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001255211896 1040907469 /nfs/dbraw/zinc/90/74/69/1040907469.db2.gz XLFAJKWKNSVMTJ-HOUBMWHVSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001255211896 1040907471 /nfs/dbraw/zinc/90/74/71/1040907471.db2.gz XLFAJKWKNSVMTJ-HOUBMWHVSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001255211896 1040907475 /nfs/dbraw/zinc/90/74/75/1040907475.db2.gz XLFAJKWKNSVMTJ-HOUBMWHVSA-N 2 1 397.563 3.736 20 0 GHADMP CCOc1cc(O)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001235395956 1040910685 /nfs/dbraw/zinc/91/06/85/1040910685.db2.gz JTWVTVKIPZZZTH-UHFFFAOYSA-N 2 1 396.531 3.658 20 0 GHADMP COC(=O)c1ccc(-c2cccc(C[N@@H+]3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c2)cc1 ZINC001235397995 1040912451 /nfs/dbraw/zinc/91/24/51/1040912451.db2.gz SCMFCJKQVYIJEV-RTWAWAEBSA-N 2 1 382.479 3.649 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235401046 1040914948 /nfs/dbraw/zinc/91/49/48/1040914948.db2.gz FWVZCFCOGXBUEL-MSOLQXFVSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235401046 1040914958 /nfs/dbraw/zinc/91/49/58/1040914958.db2.gz FWVZCFCOGXBUEL-MSOLQXFVSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cnc3cc(Br)ccc3c1)C2 ZINC001235402668 1040915864 /nfs/dbraw/zinc/91/58/64/1040915864.db2.gz XTBVAOJJNJBFOG-QZTJIDSGSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cnc3cc(Br)ccc3c1)C2 ZINC001235402668 1040915874 /nfs/dbraw/zinc/91/58/74/1040915874.db2.gz XTBVAOJJNJBFOG-QZTJIDSGSA-N 2 1 378.289 3.521 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001255229121 1040917381 /nfs/dbraw/zinc/91/73/81/1040917381.db2.gz KKAANJABRJIHSE-IZBJGVDFSA-N 2 1 377.573 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001255229121 1040917382 /nfs/dbraw/zinc/91/73/82/1040917382.db2.gz KKAANJABRJIHSE-IZBJGVDFSA-N 2 1 377.573 3.914 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(Br)c1OC ZINC001235425609 1040926472 /nfs/dbraw/zinc/92/64/72/1040926472.db2.gz MCGNUEBODZAVPX-JKSUJKDBSA-N 2 1 397.357 3.678 20 0 GHADMP Brc1cc2[nH]cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235427653 1040929222 /nfs/dbraw/zinc/92/92/22/1040929222.db2.gz NVBUGXCICADWHQ-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1I ZINC001235429629 1040930989 /nfs/dbraw/zinc/93/09/89/1040930989.db2.gz BSDZWQJXFSRDRG-DLBZAZTESA-N 2 1 398.332 3.811 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431128 1040931816 /nfs/dbraw/zinc/93/18/16/1040931816.db2.gz VBKAIGABGSZMKW-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](NC3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255391091 1040979472 /nfs/dbraw/zinc/97/94/72/1040979472.db2.gz NRIWRCUBTNKNMD-HSZRJFAPSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255391091 1040979474 /nfs/dbraw/zinc/97/94/74/1040979474.db2.gz NRIWRCUBTNKNMD-HSZRJFAPSA-N 3 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255391091 1040979488 /nfs/dbraw/zinc/97/94/88/1040979488.db2.gz NRIWRCUBTNKNMD-HSZRJFAPSA-N 3 1 385.596 3.522 20 0 GHADMP COc1ccc2c(c1)OC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255398404 1040983739 /nfs/dbraw/zinc/98/37/39/1040983739.db2.gz TZXYJCHHRJWAGU-IFMALSPDSA-N 2 1 380.532 3.891 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401191 1040987865 /nfs/dbraw/zinc/98/78/65/1040987865.db2.gz ROTPEPDGLWUEKG-LOSJGSFVSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255401191 1040987866 /nfs/dbraw/zinc/98/78/66/1040987866.db2.gz ROTPEPDGLWUEKG-LOSJGSFVSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255401191 1040987869 /nfs/dbraw/zinc/98/78/69/1040987869.db2.gz ROTPEPDGLWUEKG-LOSJGSFVSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2[C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255400784 1040987896 /nfs/dbraw/zinc/98/78/96/1040987896.db2.gz NUVRHSNFMCSNIB-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[NH+]2[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255400784 1040987899 /nfs/dbraw/zinc/98/78/99/1040987899.db2.gz NUVRHSNFMCSNIB-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[NH+]2[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255400784 1040987904 /nfs/dbraw/zinc/98/79/04/1040987904.db2.gz NUVRHSNFMCSNIB-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP c1csc(CN2C[C@@H]3C[NH+]([C@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3C2)n1 ZINC001255402948 1040990251 /nfs/dbraw/zinc/99/02/51/1040990251.db2.gz PXODZZNYPVDJCY-VSKRKVRLSA-N 2 1 396.604 3.561 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255404382 1040992245 /nfs/dbraw/zinc/99/22/45/1040992245.db2.gz RWWAOJPZTWSJLL-XMMPIXPASA-N 2 1 393.575 3.868 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255404382 1040992246 /nfs/dbraw/zinc/99/22/46/1040992246.db2.gz RWWAOJPZTWSJLL-XMMPIXPASA-N 2 1 393.575 3.868 20 0 GHADMP COc1cccnc1N(C1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410075 1040999180 /nfs/dbraw/zinc/99/91/80/1040999180.db2.gz QJOCNWLDJFASFH-OAQYLSRUSA-N 2 1 394.563 3.703 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]21 ZINC001235616182 1041038311 /nfs/dbraw/zinc/03/83/11/1041038311.db2.gz PBZCXYRAQPNOAM-YADHBBJMSA-N 2 1 384.527 3.505 20 0 GHADMP Cc1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)nn1-c1cc[nH+]cc1 ZINC001255462731 1041064727 /nfs/dbraw/zinc/06/47/27/1041064727.db2.gz FTHMWQMGCZHURW-GOSISDBHSA-N 2 1 386.459 3.615 20 0 GHADMP Cn1ccc2ccc(C[N@H+]3CCCn4cnc(C[NH2+]C5CCCC5)c4C3)cc21 ZINC001235647409 1041087077 /nfs/dbraw/zinc/08/70/77/1041087077.db2.gz UMQPOQCZCFVSGT-UHFFFAOYSA-N 2 1 377.536 3.813 20 0 GHADMP Ic1csc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235705846 1041185631 /nfs/dbraw/zinc/18/56/31/1041185631.db2.gz MGHMOTFKKJIKFT-UHFFFAOYSA-N 2 1 390.334 3.564 20 0 GHADMP Clc1ccc(CO[C@@H]2CC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)c(Cl)c1 ZINC001235711372 1041194869 /nfs/dbraw/zinc/19/48/69/1041194869.db2.gz ZSPDYZWAHQKONM-GOSISDBHSA-N 2 1 380.319 3.689 20 0 GHADMP Cc1nc(F)ccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235812346 1041325066 /nfs/dbraw/zinc/32/50/66/1041325066.db2.gz VIBINPOWUJNBKP-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1C[N@@H+](CCC2C[NH2+]C2)CCO1 ZINC001235866565 1041399441 /nfs/dbraw/zinc/39/94/41/1041399441.db2.gz WUSVHPOLCHWGFJ-DNQXCXABSA-N 2 1 396.531 3.516 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255916187 1041399407 /nfs/dbraw/zinc/39/94/07/1041399407.db2.gz SSZLFLQMSCUMHH-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255916187 1041399410 /nfs/dbraw/zinc/39/94/10/1041399410.db2.gz SSZLFLQMSCUMHH-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255916187 1041399416 /nfs/dbraw/zinc/39/94/16/1041399416.db2.gz SSZLFLQMSCUMHH-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255916187 1041399418 /nfs/dbraw/zinc/39/94/18/1041399418.db2.gz SSZLFLQMSCUMHH-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cncn1Cc1ccc(Br)cc1 ZINC001255951114 1041432324 /nfs/dbraw/zinc/43/23/24/1041432324.db2.gz GBVZSXHIGMBZGF-INIZCTEOSA-N 2 1 393.373 3.904 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OCCOC)c(C(F)(F)F)c1 ZINC001255954325 1041434103 /nfs/dbraw/zinc/43/41/03/1041434103.db2.gz UOMLAQZPQSBUQH-HNNXBMFYSA-N 2 1 376.463 3.941 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958712 1041436456 /nfs/dbraw/zinc/43/64/56/1041436456.db2.gz FDAOAZYCLWWSNK-PMACEKPBSA-N 2 1 393.641 3.924 20 0 GHADMP COCCC[N@H+](Cc1cc(OC)ccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235940414 1041446295 /nfs/dbraw/zinc/44/62/95/1041446295.db2.gz QVUCWEOVKFYZDV-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COCCC[N@@H+](Cc1cc(OC)ccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235940414 1041446302 /nfs/dbraw/zinc/44/63/02/1041446302.db2.gz QVUCWEOVKFYZDV-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)cc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235962054 1041469801 /nfs/dbraw/zinc/46/98/01/1041469801.db2.gz JDVIVYWQTHCHNR-UHFFFAOYSA-N 2 1 388.353 3.881 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001256067174 1041504490 /nfs/dbraw/zinc/50/44/90/1041504490.db2.gz DSDSNNRHLIGEDR-GCJKJVERSA-N 2 1 377.573 3.773 20 0 GHADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@@H]3CC=C(CCC=C(C)C)CC3)C[C@H]1C2 ZINC001236021185 1041509873 /nfs/dbraw/zinc/50/98/73/1041509873.db2.gz IIGXQGULJWAAEI-AREVGRJGSA-N 2 1 386.580 3.790 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2ccccc2Oc2ccc(Cl)cc2)CC1 ZINC001236066359 1041519233 /nfs/dbraw/zinc/51/92/33/1041519233.db2.gz GLMRGRGFEGRMBB-HXUWFJFHSA-N 2 1 388.895 3.845 20 0 GHADMP [NH3+]CC1CN([C@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(Cl)cc4)cc3)C2)C1 ZINC001236080576 1041524730 /nfs/dbraw/zinc/52/47/30/1041524730.db2.gz VMXFDLJLJHBHII-FQEVSTJZSA-N 2 1 385.939 3.987 20 0 GHADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001236086395 1041528003 /nfs/dbraw/zinc/52/80/03/1041528003.db2.gz KCXFQKJNQDRHIM-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC001256126879 1041557520 /nfs/dbraw/zinc/55/75/20/1041557520.db2.gz CWGNBCRKKCQDIH-QGZVFWFLSA-N 2 1 386.337 3.651 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001236145143 1041567601 /nfs/dbraw/zinc/56/76/01/1041567601.db2.gz CUSVSDJMHVPBJQ-DEOSSOPVSA-N 2 1 393.575 3.827 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001236145143 1041567605 /nfs/dbraw/zinc/56/76/05/1041567605.db2.gz CUSVSDJMHVPBJQ-DEOSSOPVSA-N 2 1 393.575 3.827 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001236145143 1041567617 /nfs/dbraw/zinc/56/76/17/1041567617.db2.gz CUSVSDJMHVPBJQ-DEOSSOPVSA-N 2 1 393.575 3.827 20 0 GHADMP Brc1csc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Br ZINC001236321785 1041670012 /nfs/dbraw/zinc/67/00/12/1041670012.db2.gz PXKQOLOCFLMRGX-AOOOYVTPSA-N 2 1 394.176 3.705 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256288089 1041684664 /nfs/dbraw/zinc/68/46/64/1041684664.db2.gz IPMXESICDWZEFZ-WGSAOQKQSA-N 2 1 388.556 3.553 20 0 GHADMP Fc1ccc(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)c2ccccc12 ZINC001236388286 1041694448 /nfs/dbraw/zinc/69/44/48/1041694448.db2.gz WQVLDVDGLSKTFK-UHFFFAOYSA-N 2 1 399.554 3.503 20 0 GHADMP COc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccc1OC(=O)C(C)C ZINC001236457331 1041720838 /nfs/dbraw/zinc/72/08/38/1041720838.db2.gz MPBVUGMLSQTQJD-UHFFFAOYSA-N 2 1 376.541 3.857 20 0 GHADMP Cn1c2ccccc2c(Cl)c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1=O ZINC001236457702 1041721663 /nfs/dbraw/zinc/72/16/63/1041721663.db2.gz PSSDEMDAFKLXSE-UHFFFAOYSA-N 2 1 375.944 3.792 20 0 GHADMP Cn1c2ccccc2c(Cl)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1=O ZINC001236457702 1041721669 /nfs/dbraw/zinc/72/16/69/1041721669.db2.gz PSSDEMDAFKLXSE-UHFFFAOYSA-N 2 1 375.944 3.792 20 0 GHADMP CCOCC[N@@H+](Cc1cn(C)c2ccc(Br)cc12)C1CC[NH2+]CC1 ZINC001236460521 1041722734 /nfs/dbraw/zinc/72/27/34/1041722734.db2.gz DYMHTCUJECLVTB-UHFFFAOYSA-N 2 1 394.357 3.531 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCc2cc(F)cc(F)c2)C2CC[NH2+]CC2)c1 ZINC001236465347 1041726860 /nfs/dbraw/zinc/72/68/60/1041726860.db2.gz RZAMYBIVGKWGPD-UHFFFAOYSA-N 2 1 388.458 3.548 20 0 GHADMP CCOCC[N@H+](Cc1ccc2occ(Br)c2c1)C1CC[NH2+]CC1 ZINC001236466415 1041728480 /nfs/dbraw/zinc/72/84/80/1041728480.db2.gz YEPJXXDMSSAPKM-UHFFFAOYSA-N 2 1 381.314 3.786 20 0 GHADMP CCOCC[N@@H+](Cc1ccc2occ(Br)c2c1)C1CC[NH2+]CC1 ZINC001236466415 1041728486 /nfs/dbraw/zinc/72/84/86/1041728486.db2.gz YEPJXXDMSSAPKM-UHFFFAOYSA-N 2 1 381.314 3.786 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001236474127 1041731858 /nfs/dbraw/zinc/73/18/58/1041731858.db2.gz PSGMZROGYUOFLM-GIFXNVAJSA-N 2 1 390.527 3.940 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001236474127 1041731864 /nfs/dbraw/zinc/73/18/64/1041731864.db2.gz PSGMZROGYUOFLM-GIFXNVAJSA-N 2 1 390.527 3.940 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccccc2-n2cccn2)C2CC[NH2+]CC2)cc1F ZINC001236514564 1041748358 /nfs/dbraw/zinc/74/83/58/1041748358.db2.gz DAVSEYVZDNQYFJ-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccccc2-n2cccn2)C2CC[NH2+]CC2)cc1F ZINC001236514564 1041748363 /nfs/dbraw/zinc/74/83/63/1041748363.db2.gz DAVSEYVZDNQYFJ-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP COc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc(Br)c1O ZINC001236549730 1041758878 /nfs/dbraw/zinc/75/88/78/1041758878.db2.gz AGBIBNDSETVQCX-SHTZXODSSA-N 2 1 385.346 3.891 20 0 GHADMP CCOc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1OCCCOC ZINC001236552072 1041759582 /nfs/dbraw/zinc/75/95/82/1041759582.db2.gz GAVSOCBSLCHQHG-MEMLXQNLSA-N 2 1 390.568 3.983 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)n1 ZINC001236635229 1041797016 /nfs/dbraw/zinc/79/70/16/1041797016.db2.gz QJHLIBWPVURVIC-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)n1 ZINC001236635229 1041797019 /nfs/dbraw/zinc/79/70/19/1041797019.db2.gz QJHLIBWPVURVIC-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CCOc1ncc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1F ZINC001236690758 1041833981 /nfs/dbraw/zinc/83/39/81/1041833981.db2.gz QPLILMODKLPYMP-UHFFFAOYSA-N 2 1 398.526 3.891 20 0 GHADMP COc1nc(OC)c(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236726698 1041859783 /nfs/dbraw/zinc/85/97/83/1041859783.db2.gz NPPXCHKITINVPM-MEMLXQNLSA-N 2 1 383.536 3.988 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236728798 1041860129 /nfs/dbraw/zinc/86/01/29/1041860129.db2.gz IUJMXNYGICVGDA-WGSAOQKQSA-N 2 1 385.581 3.821 20 0 GHADMP C[N@H+](Cc1cccc(-n2cncn2)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001236884653 1041939984 /nfs/dbraw/zinc/93/99/84/1041939984.db2.gz DGWNBPMXVHONHK-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)cc1 ZINC001236962480 1041971157 /nfs/dbraw/zinc/97/11/57/1041971157.db2.gz ANFMFKAFGBEUEI-QFIPXVFZSA-N 2 1 383.511 3.923 20 0 GHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)cc1 ZINC001236962480 1041971158 /nfs/dbraw/zinc/97/11/58/1041971158.db2.gz ANFMFKAFGBEUEI-QFIPXVFZSA-N 2 1 383.511 3.923 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc1O ZINC001236962483 1041971291 /nfs/dbraw/zinc/97/12/91/1041971291.db2.gz ZFFGLQMEXBHSTJ-UHFFFAOYSA-N 2 1 397.357 3.765 20 0 GHADMP COc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c(Br)c1O ZINC001236962342 1041971372 /nfs/dbraw/zinc/97/13/72/1041971372.db2.gz NZDTYXXVFKRSOG-UHFFFAOYSA-N 2 1 397.357 3.765 20 0 GHADMP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)cc1 ZINC001236962478 1041971459 /nfs/dbraw/zinc/97/14/59/1041971459.db2.gz ANFMFKAFGBEUEI-JOCHJYFZSA-N 2 1 383.511 3.923 20 0 GHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)cc1 ZINC001236962478 1041971463 /nfs/dbraw/zinc/97/14/63/1041971463.db2.gz ANFMFKAFGBEUEI-JOCHJYFZSA-N 2 1 383.511 3.923 20 0 GHADMP Brc1ccc(C[C@@H]2CCC[N@H+]2Cc2nc3c(s2)C[NH2+]CC3)cc1 ZINC001237259744 1042111832 /nfs/dbraw/zinc/11/18/32/1042111832.db2.gz XVTIMGREFHNAHJ-HNNXBMFYSA-N 2 1 392.366 3.758 20 0 GHADMP COc1cc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1C(F)F ZINC001237270749 1042115943 /nfs/dbraw/zinc/11/59/43/1042115943.db2.gz UVLIKWIFGLSRBH-OAQYLSRUSA-N 2 1 382.495 3.956 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237414735 1042197690 /nfs/dbraw/zinc/19/76/90/1042197690.db2.gz NNVKJZVUOMMRFL-FGZHOGPDSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237414735 1042197693 /nfs/dbraw/zinc/19/76/93/1042197693.db2.gz NNVKJZVUOMMRFL-FGZHOGPDSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237414735 1042197698 /nfs/dbraw/zinc/19/76/98/1042197698.db2.gz NNVKJZVUOMMRFL-FGZHOGPDSA-N 2 1 377.532 3.989 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc5ccccn5n4)CC3)C2)cc1 ZINC001237440772 1042208379 /nfs/dbraw/zinc/20/83/79/1042208379.db2.gz DKQIUYKDKHFVLH-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP Clc1[nH]c2cnccc2c1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237455517 1042214983 /nfs/dbraw/zinc/21/49/83/1042214983.db2.gz TXZMZZVBOQKWDY-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP Clc1[nH]c2cnccc2c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237455517 1042214986 /nfs/dbraw/zinc/21/49/86/1042214986.db2.gz TXZMZZVBOQKWDY-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP Clc1[nH]c2cnccc2c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237455517 1042214989 /nfs/dbraw/zinc/21/49/89/1042214989.db2.gz TXZMZZVBOQKWDY-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP Clc1[nH]c2cnccc2c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237455517 1042214993 /nfs/dbraw/zinc/21/49/93/1042214993.db2.gz TXZMZZVBOQKWDY-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP Clc1[nH]c2cnccc2c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237455517 1042214996 /nfs/dbraw/zinc/21/49/96/1042214996.db2.gz TXZMZZVBOQKWDY-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237724321 1042342791 /nfs/dbraw/zinc/34/27/91/1042342791.db2.gz OZTMTOHBBQWKJX-UXHICEINSA-N 2 1 385.552 3.758 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237724321 1042342798 /nfs/dbraw/zinc/34/27/98/1042342798.db2.gz OZTMTOHBBQWKJX-UXHICEINSA-N 2 1 385.552 3.758 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237724321 1042342801 /nfs/dbraw/zinc/34/28/01/1042342801.db2.gz OZTMTOHBBQWKJX-UXHICEINSA-N 2 1 385.552 3.758 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)cc21 ZINC001237876692 1042405591 /nfs/dbraw/zinc/40/55/91/1042405591.db2.gz HFIGTWFUNPALNY-RPWUZVMVSA-N 2 1 388.559 3.932 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)cc21 ZINC001237876692 1042405592 /nfs/dbraw/zinc/40/55/92/1042405592.db2.gz HFIGTWFUNPALNY-RPWUZVMVSA-N 2 1 388.559 3.932 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cc21 ZINC001237876692 1042405595 /nfs/dbraw/zinc/40/55/95/1042405595.db2.gz HFIGTWFUNPALNY-RPWUZVMVSA-N 2 1 388.559 3.932 20 0 GHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001237894451 1042413482 /nfs/dbraw/zinc/41/34/82/1042413482.db2.gz LMWJOSNBOXIBKO-UHFFFAOYSA-N 2 1 387.409 3.813 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@]2(CC[N@@H+](Cc3cccc4cncn43)C2)C1 ZINC001238105910 1042493455 /nfs/dbraw/zinc/49/34/55/1042493455.db2.gz VNTUYFUPEMXAMP-OAQYLSRUSA-N 2 1 380.517 3.524 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238105910 1042493460 /nfs/dbraw/zinc/49/34/60/1042493460.db2.gz VNTUYFUPEMXAMP-OAQYLSRUSA-N 2 1 380.517 3.524 20 0 GHADMP COc1c(C)cnc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1C ZINC001238173571 1042508895 /nfs/dbraw/zinc/50/88/95/1042508895.db2.gz SEHUAAYBQDBRAD-LJQANCHMSA-N 2 1 399.535 3.556 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccc(O)c(OCc4ccccc4)c3)CC2)cc[nH+]1 ZINC001238257937 1042535020 /nfs/dbraw/zinc/53/50/20/1042535020.db2.gz BTVQWBDVGUCYHD-UHFFFAOYSA-N 2 1 389.499 3.997 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(OC)ncc2-c2ccccc2)CC1 ZINC001238604525 1042655466 /nfs/dbraw/zinc/65/54/66/1042655466.db2.gz PPROIRNLKAQVCI-UHFFFAOYSA-N 2 1 396.579 3.607 20 0 GHADMP CCOc1ccc(C)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001238716302 1042698865 /nfs/dbraw/zinc/69/88/65/1042698865.db2.gz HLCHELAQIBJIDD-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001238716302 1042698869 /nfs/dbraw/zinc/69/88/69/1042698869.db2.gz HLCHELAQIBJIDD-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001238758950 1042717111 /nfs/dbraw/zinc/71/71/11/1042717111.db2.gz ZFGUSTODZMPOHG-DHIUTWEWSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001238758950 1042717117 /nfs/dbraw/zinc/71/71/17/1042717117.db2.gz ZFGUSTODZMPOHG-DHIUTWEWSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001238758950 1042717124 /nfs/dbraw/zinc/71/71/24/1042717124.db2.gz ZFGUSTODZMPOHG-DHIUTWEWSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc(C)c1OC(C)C ZINC001238758950 1042717131 /nfs/dbraw/zinc/71/71/31/1042717131.db2.gz ZFGUSTODZMPOHG-DHIUTWEWSA-N 2 1 396.579 3.778 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)nc1 ZINC001240119264 1042893440 /nfs/dbraw/zinc/89/34/40/1042893440.db2.gz JJFWCYGTXIULSR-HSZRJFAPSA-N 2 1 392.547 3.731 20 0 GHADMP COc1ccc(C[NH+]2CCN(C)CC2)cc1-c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001240378496 1042923894 /nfs/dbraw/zinc/92/38/94/1042923894.db2.gz WSBKAWWHLUGCGO-UHFFFAOYSA-N 2 1 381.564 3.998 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)nc1 ZINC001240815404 1042956135 /nfs/dbraw/zinc/95/61/35/1042956135.db2.gz WLVKQKLJZIXIGF-QGZVFWFLSA-N 2 1 390.531 3.696 20 0 GHADMP C[C@@H]1C[C@@H](n2nc(-c3ccccc3)nc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256525970 1043453616 /nfs/dbraw/zinc/45/36/16/1043453616.db2.gz HINBGSSRAYYFSZ-NQIIRXRSSA-N 2 1 375.520 3.672 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC001256530843 1043464692 /nfs/dbraw/zinc/46/46/92/1043464692.db2.gz FCXBKIRSFPFEQR-WIYYLYMNSA-N 2 1 386.511 3.994 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC001256530843 1043464708 /nfs/dbraw/zinc/46/47/08/1043464708.db2.gz FCXBKIRSFPFEQR-WIYYLYMNSA-N 2 1 386.511 3.994 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256534846 1043472724 /nfs/dbraw/zinc/47/27/24/1043472724.db2.gz VMHXBYAKHWXQLB-JBACZVJFSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256534846 1043472740 /nfs/dbraw/zinc/47/27/40/1043472740.db2.gz VMHXBYAKHWXQLB-JBACZVJFSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@H]1C[C@H](N2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536811 1043479376 /nfs/dbraw/zinc/47/93/76/1043479376.db2.gz GBTJNTFXCBCBMD-PDGJWGCVSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H](N2CCC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538389 1043484968 /nfs/dbraw/zinc/48/49/68/1043484968.db2.gz SRTMSMCQWOHINA-ZJSXRUAMSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@@H]1C[C@H](N2CCC[N@H+](Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538389 1043484978 /nfs/dbraw/zinc/48/49/78/1043484978.db2.gz SRTMSMCQWOHINA-ZJSXRUAMSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@@H]1C[C@H](N2CCC[N@@H+](Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538389 1043484985 /nfs/dbraw/zinc/48/49/85/1043484985.db2.gz SRTMSMCQWOHINA-ZJSXRUAMSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@@H]1C[C@H](n2nc(COCC3CC3)c3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256545278 1043502499 /nfs/dbraw/zinc/50/24/99/1043502499.db2.gz RSRVAVUDCZHLRL-YLJYHZDGSA-N 2 1 380.536 3.639 20 0 GHADMP COc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001256553074 1043518047 /nfs/dbraw/zinc/51/80/47/1043518047.db2.gz DASSOJTWOXNKJQ-SIKLNZKXSA-N 2 1 394.563 3.702 20 0 GHADMP CC[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552901 1043518993 /nfs/dbraw/zinc/51/89/93/1043518993.db2.gz CZTUUGRTJKLPAH-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552901 1043518999 /nfs/dbraw/zinc/51/89/99/1043518999.db2.gz CZTUUGRTJKLPAH-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552901 1043519006 /nfs/dbraw/zinc/51/90/06/1043519006.db2.gz CZTUUGRTJKLPAH-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552901 1043519014 /nfs/dbraw/zinc/51/90/14/1043519014.db2.gz CZTUUGRTJKLPAH-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553518 1043520174 /nfs/dbraw/zinc/52/01/74/1043520174.db2.gz HXSZTOUWRNSXMN-URXFXBBRSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@H]1C[C@@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256553518 1043520181 /nfs/dbraw/zinc/52/01/81/1043520181.db2.gz HXSZTOUWRNSXMN-URXFXBBRSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@H]1C[C@@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001256553518 1043520190 /nfs/dbraw/zinc/52/01/90/1043520190.db2.gz HXSZTOUWRNSXMN-URXFXBBRSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@H]1C[C@@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001256553518 1043520200 /nfs/dbraw/zinc/52/02/00/1043520200.db2.gz HXSZTOUWRNSXMN-URXFXBBRSA-N 2 1 375.560 4.000 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001256553594 1043520818 /nfs/dbraw/zinc/52/08/18/1043520818.db2.gz GXENHFMSGVQIPS-CTNGQTDRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001256553594 1043520823 /nfs/dbraw/zinc/52/08/23/1043520823.db2.gz GXENHFMSGVQIPS-CTNGQTDRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256558685 1043529472 /nfs/dbraw/zinc/52/94/72/1043529472.db2.gz UFQBNHACAZEUNU-CZTZKLFOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256558685 1043529481 /nfs/dbraw/zinc/52/94/81/1043529481.db2.gz UFQBNHACAZEUNU-CZTZKLFOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256558685 1043529490 /nfs/dbraw/zinc/52/94/90/1043529490.db2.gz UFQBNHACAZEUNU-CZTZKLFOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256558685 1043529501 /nfs/dbraw/zinc/52/95/01/1043529501.db2.gz UFQBNHACAZEUNU-CZTZKLFOSA-N 2 1 381.520 3.596 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001256574034 1043547939 /nfs/dbraw/zinc/54/79/39/1043547939.db2.gz UNCKOFLDDDVROP-REWPJTCUSA-N 2 1 387.568 3.594 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001256574034 1043547945 /nfs/dbraw/zinc/54/79/45/1043547945.db2.gz UNCKOFLDDDVROP-REWPJTCUSA-N 2 1 387.568 3.594 20 0 GHADMP COCCC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577902 1043549475 /nfs/dbraw/zinc/54/94/75/1043549475.db2.gz XTWFIHKBKUTKMZ-LJQANCHMSA-N 2 1 397.604 3.597 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256590248 1043557805 /nfs/dbraw/zinc/55/78/05/1043557805.db2.gz FJKQFVCPPZIPCI-UHFFFAOYSA-N 2 1 378.564 3.642 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256590248 1043557815 /nfs/dbraw/zinc/55/78/15/1043557815.db2.gz FJKQFVCPPZIPCI-UHFFFAOYSA-N 2 1 378.564 3.642 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256590248 1043557823 /nfs/dbraw/zinc/55/78/23/1043557823.db2.gz FJKQFVCPPZIPCI-UHFFFAOYSA-N 2 1 378.564 3.642 20 0 GHADMP C[NH+](C)Cc1ccc(CSCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC001256595307 1043561314 /nfs/dbraw/zinc/56/13/14/1043561314.db2.gz ABLXKDZJDCDUAC-UHFFFAOYSA-N 3 1 387.593 3.829 20 0 GHADMP Cc1nn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)c1Br ZINC001256598422 1043562913 /nfs/dbraw/zinc/56/29/13/1043562913.db2.gz YXFOCGSFARMVLH-UHFFFAOYSA-N 2 1 391.357 3.517 20 0 GHADMP Cc1cccnc1C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC001256601009 1043564049 /nfs/dbraw/zinc/56/40/49/1043564049.db2.gz FDUXJKAJGCHXAK-UHFFFAOYSA-N 2 1 379.548 3.692 20 0 GHADMP O=C(c1ccccc1F)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256600805 1043564724 /nfs/dbraw/zinc/56/47/24/1043564724.db2.gz LRBVRUWMBIXWJE-UHFFFAOYSA-N 2 1 395.522 3.685 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001292334362 1043690916 /nfs/dbraw/zinc/69/09/16/1043690916.db2.gz FAKLRDUSDXESOQ-QHCPKHFHSA-N 2 1 391.559 3.884 20 0 GHADMP c1ccc2c(c1)CCC[C@H]2N1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256862624 1043709557 /nfs/dbraw/zinc/70/95/57/1043709557.db2.gz PTDIRPXUGQIBFB-XMMPIXPASA-N 2 1 376.548 3.746 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001256894198 1043726695 /nfs/dbraw/zinc/72/66/95/1043726695.db2.gz FNBHGFCCZADMOO-PDDLGQBUSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)C2)C1 ZINC001256894198 1043726706 /nfs/dbraw/zinc/72/67/06/1043726706.db2.gz FNBHGFCCZADMOO-PDDLGQBUSA-N 2 1 377.573 3.773 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900199 1043730066 /nfs/dbraw/zinc/73/00/66/1043730066.db2.gz JISXDPYHNBATNP-PZJWPPBQSA-N 2 1 383.536 3.654 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900199 1043730069 /nfs/dbraw/zinc/73/00/69/1043730069.db2.gz JISXDPYHNBATNP-PZJWPPBQSA-N 2 1 383.536 3.654 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1)c1ccc(F)cc1 ZINC001256906515 1043733649 /nfs/dbraw/zinc/73/36/49/1043733649.db2.gz RIVREVOMOTUBGM-NJDAHSKKSA-N 2 1 387.543 3.863 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1)c1ccc(F)cc1 ZINC001256906515 1043733659 /nfs/dbraw/zinc/73/36/59/1043733659.db2.gz RIVREVOMOTUBGM-NJDAHSKKSA-N 2 1 387.543 3.863 20 0 GHADMP Cc1cccc(N([C@@H]2CO[C@@]3(CC[NH2+]C3)C2)[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256912237 1043739056 /nfs/dbraw/zinc/73/90/56/1043739056.db2.gz BDQKXFSLJOACIN-SGNDLWITSA-N 2 1 383.580 3.729 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CCN([C@@H]4CCC[NH+](C5CCCC5)C4)CC3)C2)cc1 ZINC001256917653 1043744601 /nfs/dbraw/zinc/74/46/01/1043744601.db2.gz IXSGVRXKOVYMTL-XMMPIXPASA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[NH+]2CCOC3(CCN([C@@H]4CCC[N@@H+](C5CCCC5)C4)CC3)C2)cc1 ZINC001256917653 1043744611 /nfs/dbraw/zinc/74/46/11/1043744611.db2.gz IXSGVRXKOVYMTL-XMMPIXPASA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[NH+]2CCOC3(CCN([C@@H]4CCC[N@H+](C5CCCC5)C4)CC3)C2)cc1 ZINC001256917653 1043744617 /nfs/dbraw/zinc/74/46/17/1043744617.db2.gz IXSGVRXKOVYMTL-XMMPIXPASA-N 2 1 397.607 3.760 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001292799445 1043880917 /nfs/dbraw/zinc/88/09/17/1043880917.db2.gz IMLWMJQYPYFKRW-QAPCUYQASA-N 2 1 387.490 3.935 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3ccc(OC)cc3)CC2)cc1 ZINC001257152864 1043901499 /nfs/dbraw/zinc/90/14/99/1043901499.db2.gz CCUIYDRCAIGKPN-GOSISDBHSA-N 2 1 396.531 3.753 20 0 GHADMP CC(C)[C@H]1C[C@@H]([NH+]2CCC([N@H+](C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206892 1043936639 /nfs/dbraw/zinc/93/66/39/1043936639.db2.gz XFBLGFFYLXWDMJ-VQTJNVASSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)[C@H]1C[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206892 1043936643 /nfs/dbraw/zinc/93/66/43/1043936643.db2.gz XFBLGFFYLXWDMJ-VQTJNVASSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001257214760 1043939067 /nfs/dbraw/zinc/93/90/67/1043939067.db2.gz LJVUZCNXSXBMKM-WIYYLYMNSA-N 2 1 383.552 3.530 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001257214760 1043939070 /nfs/dbraw/zinc/93/90/70/1043939070.db2.gz LJVUZCNXSXBMKM-WIYYLYMNSA-N 2 1 383.552 3.530 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)CC1 ZINC001257218149 1043939754 /nfs/dbraw/zinc/93/97/54/1043939754.db2.gz ZPKIVMOWCRXJFV-UHFFFAOYSA-N 2 1 381.564 3.650 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257222030 1043941075 /nfs/dbraw/zinc/94/10/75/1043941075.db2.gz POCCGAMGFJMZEN-UHFFFAOYSA-N 2 1 387.568 3.541 20 0 GHADMP CCCCOC(=O)CC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001257399378 1043985386 /nfs/dbraw/zinc/98/53/86/1043985386.db2.gz ZCUTVRFGNLPPEO-FQEVSTJZSA-N 2 1 387.568 3.882 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(OC)cc1Br ZINC001279035173 1044119066 /nfs/dbraw/zinc/11/90/66/1044119066.db2.gz YSPOTATTWCGIQK-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817761 1044199077 /nfs/dbraw/zinc/19/90/77/1044199077.db2.gz DXLMZQNKEYLOAI-SIKLNZKXSA-N 2 1 379.589 3.830 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257821268 1044203416 /nfs/dbraw/zinc/20/34/16/1044203416.db2.gz KJKKUDDJIRTKLE-DENIHFKCSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257821268 1044203421 /nfs/dbraw/zinc/20/34/21/1044203421.db2.gz KJKKUDDJIRTKLE-DENIHFKCSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC1 ZINC001258014000 1044340658 /nfs/dbraw/zinc/34/06/58/1044340658.db2.gz BUGYWKUOCDEGCH-QFIPXVFZSA-N 2 1 391.506 3.514 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001258113594 1044402598 /nfs/dbraw/zinc/40/25/98/1044402598.db2.gz WPCYHKLGJZXNNB-FCPXZXNCSA-N 2 1 378.516 3.685 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001258134619 1044419479 /nfs/dbraw/zinc/41/94/79/1044419479.db2.gz OBSYNLWDTSFVRF-UHFFFAOYSA-N 2 1 376.504 3.576 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC001258138311 1044423986 /nfs/dbraw/zinc/42/39/86/1044423986.db2.gz SWZFPPWMLUDOKN-UHFFFAOYSA-N 3 1 392.591 3.590 20 0 GHADMP Brc1cccnc1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258139168 1044425731 /nfs/dbraw/zinc/42/57/31/1044425731.db2.gz AYOOOLMIXAKJFG-UHFFFAOYSA-N 2 1 388.353 3.683 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H]2CCCC[C@@H]12 ZINC001258141957 1044427438 /nfs/dbraw/zinc/42/74/38/1044427438.db2.gz HFTXEAANMJGRNW-JRFVFWCSSA-N 2 1 398.591 3.995 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H]2CCCC[C@@H]12 ZINC001258141957 1044427440 /nfs/dbraw/zinc/42/74/40/1044427440.db2.gz HFTXEAANMJGRNW-JRFVFWCSSA-N 2 1 398.591 3.995 20 0 GHADMP COc1ccc(CC[N@H+](C[C@@H](C)O)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258141049 1044427837 /nfs/dbraw/zinc/42/78/37/1044427837.db2.gz RVFZTGZVBPNQEG-OAQYLSRUSA-N 2 1 396.575 3.628 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@@H](C)O)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258141049 1044427849 /nfs/dbraw/zinc/42/78/49/1044427849.db2.gz RVFZTGZVBPNQEG-OAQYLSRUSA-N 2 1 396.575 3.628 20 0 GHADMP Fc1cccc(N2CCC([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)c1 ZINC001258424473 1044558987 /nfs/dbraw/zinc/55/89/87/1044558987.db2.gz DDPJAENTSFPWAS-OYRHEFFESA-N 2 1 379.523 3.858 20 0 GHADMP Fc1cccc(N2CCC([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CC2)c1 ZINC001258424473 1044558995 /nfs/dbraw/zinc/55/89/95/1044558995.db2.gz DDPJAENTSFPWAS-OYRHEFFESA-N 2 1 379.523 3.858 20 0 GHADMP Fc1cccc(N2CCC([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CC2)c1 ZINC001258424473 1044559008 /nfs/dbraw/zinc/55/90/08/1044559008.db2.gz DDPJAENTSFPWAS-OYRHEFFESA-N 2 1 379.523 3.858 20 0 GHADMP CC1(C)COC2(CCC([N@H+]3C[C@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)OC1 ZINC001258524047 1044601485 /nfs/dbraw/zinc/60/14/85/1044601485.db2.gz UFSNBNDRDFYEFL-HDICACEKSA-N 2 1 390.593 3.824 20 0 GHADMP CC1(C)COC2(CCC([N@@H+]3C[C@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)OC1 ZINC001258524047 1044601488 /nfs/dbraw/zinc/60/14/88/1044601488.db2.gz UFSNBNDRDFYEFL-HDICACEKSA-N 2 1 390.593 3.824 20 0 GHADMP CC1(C)COC2(CCC([NH+]3C[C@H]4C[N@@H+](Cc5cccs5)C[C@H]4C3)CC2)OC1 ZINC001258524047 1044601491 /nfs/dbraw/zinc/60/14/91/1044601491.db2.gz UFSNBNDRDFYEFL-HDICACEKSA-N 2 1 390.593 3.824 20 0 GHADMP CC1(C)COC2(CCC([NH+]3C[C@H]4C[N@H+](Cc5cccs5)C[C@H]4C3)CC2)OC1 ZINC001258524047 1044601495 /nfs/dbraw/zinc/60/14/95/1044601495.db2.gz UFSNBNDRDFYEFL-HDICACEKSA-N 2 1 390.593 3.824 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258594637 1044664468 /nfs/dbraw/zinc/66/44/68/1044664468.db2.gz VCHWQMFRFIZYTB-NRFANRHFSA-N 2 1 392.547 3.530 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001258656676 1044694229 /nfs/dbraw/zinc/69/42/29/1044694229.db2.gz QVGORCAMGYDQGJ-QFIPXVFZSA-N 2 1 396.579 3.702 20 0 GHADMP CCC[C@@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001258656925 1044695764 /nfs/dbraw/zinc/69/57/64/1044695764.db2.gz LCQDUWFNIZWPRL-LEWJYISDSA-N 2 1 382.552 3.549 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001258660158 1044700095 /nfs/dbraw/zinc/70/00/95/1044700095.db2.gz ZBFYIMJTNJWIRE-OAQYLSRUSA-N 2 1 384.568 3.578 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC001294606178 1044724271 /nfs/dbraw/zinc/72/42/71/1044724271.db2.gz UNNPINVYWDRAEI-OLKYXYMISA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001294606178 1044724285 /nfs/dbraw/zinc/72/42/85/1044724285.db2.gz UNNPINVYWDRAEI-OLKYXYMISA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001294606178 1044724299 /nfs/dbraw/zinc/72/42/99/1044724299.db2.gz UNNPINVYWDRAEI-OLKYXYMISA-N 2 1 397.607 3.723 20 0 GHADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001258710597 1044727614 /nfs/dbraw/zinc/72/76/14/1044727614.db2.gz YACFOELTFIWULT-QHCPKHFHSA-N 2 1 395.591 3.612 20 0 GHADMP CCC[NH+]1CCC([N@H+](CCOCC)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258777413 1044760932 /nfs/dbraw/zinc/76/09/32/1044760932.db2.gz UXMUESCCDOGTOT-UHFFFAOYSA-N 2 1 397.604 3.599 20 0 GHADMP CCC[NH+]1CCC([N@@H+](CCOCC)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258777413 1044760947 /nfs/dbraw/zinc/76/09/47/1044760947.db2.gz UXMUESCCDOGTOT-UHFFFAOYSA-N 2 1 397.604 3.599 20 0 GHADMP COc1cc(C[C@H](C)[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(OC)c1OC ZINC001258875059 1044819449 /nfs/dbraw/zinc/81/94/49/1044819449.db2.gz XELHBCTYCWUSDS-YSIASYRMSA-N 2 1 390.568 3.982 20 0 GHADMP COc1cc(C[C@H](C)[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC001258875059 1044819471 /nfs/dbraw/zinc/81/94/71/1044819471.db2.gz XELHBCTYCWUSDS-YSIASYRMSA-N 2 1 390.568 3.982 20 0 GHADMP COc1cc(C[C@H](C)[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC001258875059 1044819484 /nfs/dbraw/zinc/81/94/84/1044819484.db2.gz XELHBCTYCWUSDS-YSIASYRMSA-N 2 1 390.568 3.982 20 0 GHADMP COc1ccccc1C[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001258889590 1044842967 /nfs/dbraw/zinc/84/29/67/1044842967.db2.gz PBVUXTWSWFWJBX-TZIWHRDSSA-N 2 1 398.547 3.975 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001297594476 1045580792 /nfs/dbraw/zinc/58/07/92/1045580792.db2.gz JCZUAZDHQOIZMO-DEOSSOPVSA-N 2 1 393.575 3.916 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001297594476 1045580801 /nfs/dbraw/zinc/58/08/01/1045580801.db2.gz JCZUAZDHQOIZMO-DEOSSOPVSA-N 2 1 393.575 3.916 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001297594476 1045580811 /nfs/dbraw/zinc/58/08/11/1045580811.db2.gz JCZUAZDHQOIZMO-DEOSSOPVSA-N 2 1 393.575 3.916 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001297594476 1045580818 /nfs/dbraw/zinc/58/08/18/1045580818.db2.gz JCZUAZDHQOIZMO-DEOSSOPVSA-N 2 1 393.575 3.916 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC001261735882 1046068907 /nfs/dbraw/zinc/06/89/07/1046068907.db2.gz UMWDJYCRSMDYAG-VABKMULXSA-N 2 1 395.522 3.567 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC001261735882 1046068920 /nfs/dbraw/zinc/06/89/20/1046068920.db2.gz UMWDJYCRSMDYAG-VABKMULXSA-N 2 1 395.522 3.567 20 0 GHADMP C[S@@](=O)c1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001262378805 1046254041 /nfs/dbraw/zinc/25/40/41/1046254041.db2.gz LTPSQOKUYXVDDH-VZUSRKGYSA-N 2 1 382.573 3.814 20 0 GHADMP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCCC1 ZINC001301486015 1046563501 /nfs/dbraw/zinc/56/35/01/1046563501.db2.gz IHCWJBZEPPOZRM-IRLDBZIGSA-N 2 1 383.580 3.669 20 0 GHADMP CCN(C(=O)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000590933567 1047252928 /nfs/dbraw/zinc/25/29/28/1047252928.db2.gz VBMGCIGLNQPQCQ-OALUTQOASA-N 2 1 398.526 3.873 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccccc1 ZINC001303368503 1047374565 /nfs/dbraw/zinc/37/45/65/1047374565.db2.gz XCYGYXOCYAVPMY-OYRHQHFDSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@H](C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001303540164 1047418882 /nfs/dbraw/zinc/41/88/82/1047418882.db2.gz LQFBJHSLHVPCOT-LEWJYISDSA-N 2 1 397.607 3.805 20 0 GHADMP Fc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279384648 1047788174 /nfs/dbraw/zinc/78/81/74/1047788174.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279384648 1047788177 /nfs/dbraw/zinc/78/81/77/1047788177.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279384648 1047788183 /nfs/dbraw/zinc/78/81/83/1047788183.db2.gz XOTOEXXKHZCNEF-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)ccc(C)c3F)C[C@H]2CC1 ZINC001279446915 1047812055 /nfs/dbraw/zinc/81/20/55/1047812055.db2.gz FFKZAYNVNLNPDI-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)ccc(C)c3F)C[C@H]2CC1 ZINC001279446915 1047812061 /nfs/dbraw/zinc/81/20/61/1047812061.db2.gz FFKZAYNVNLNPDI-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP C[N@H+]1CCC[C@@H](CN2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826229 /nfs/dbraw/zinc/82/62/29/1047826229.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@@H](CN2CCC[C@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826235 /nfs/dbraw/zinc/82/62/35/1047826235.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@@H](CN2CCC[C@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501765 1047826241 /nfs/dbraw/zinc/82/62/41/1047826241.db2.gz JKQCSJSALKWNLA-MOPGFXCFSA-N 2 1 375.523 3.849 20 0 GHADMP Clc1ncnc(Cl)c1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279504528 1047826978 /nfs/dbraw/zinc/82/69/78/1047826978.db2.gz ZSNCBBKHRKWZTB-UHFFFAOYSA-N 2 1 394.350 3.990 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC001279595782 1047859355 /nfs/dbraw/zinc/85/93/55/1047859355.db2.gz BKFYCAYVCVRDSG-GOSISDBHSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccsc4Cl)C[C@H]3CC2)n(C)n1 ZINC001279692534 1047917968 /nfs/dbraw/zinc/91/79/68/1047917968.db2.gz FOUAGNMFORPECX-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccsc4Cl)C[C@H]3CC2)n(C)n1 ZINC001279692534 1047917972 /nfs/dbraw/zinc/91/79/72/1047917972.db2.gz FOUAGNMFORPECX-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccsc4Cl)C[C@H]3CC2)n(C)n1 ZINC001279692534 1047917979 /nfs/dbraw/zinc/91/79/79/1047917979.db2.gz FOUAGNMFORPECX-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Brc1cscc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279707590 1047925839 /nfs/dbraw/zinc/92/58/39/1047925839.db2.gz CJHPZFPNVYHHOI-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP Brc1cscc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279707590 1047925842 /nfs/dbraw/zinc/92/58/42/1047925842.db2.gz CJHPZFPNVYHHOI-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cc4c(o3)c(Br)c[nH]c4=O)CC2)C1 ZINC001279718532 1047934107 /nfs/dbraw/zinc/93/41/07/1047934107.db2.gz YILFMMCVDUFYKZ-UHFFFAOYSA-N 2 1 394.313 3.604 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3cc4c(o3)c(Br)c[nH]c4=O)CC2)C1 ZINC001279718532 1047934114 /nfs/dbraw/zinc/93/41/14/1047934114.db2.gz YILFMMCVDUFYKZ-UHFFFAOYSA-N 2 1 394.313 3.604 20 0 GHADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001280156778 1048108797 /nfs/dbraw/zinc/10/87/97/1048108797.db2.gz OPINFTKHQQBXTF-FQEVSTJZSA-N 2 1 382.017 3.911 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000821991683 1048362890 /nfs/dbraw/zinc/36/28/90/1048362890.db2.gz WFSJPUSRBLZFCF-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306807322 1048906786 /nfs/dbraw/zinc/90/67/86/1048906786.db2.gz RRRTUQLOLCTOMD-UHFFFAOYSA-N 2 1 398.599 3.644 20 0 GHADMP CC[N@@H+](CCc1ccccc1)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001307416845 1049256800 /nfs/dbraw/zinc/25/68/00/1049256800.db2.gz SCNMNFGKRGFJGP-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP CC[NH+](CCc1ccccc1)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001307416845 1049256815 /nfs/dbraw/zinc/25/68/15/1049256815.db2.gz SCNMNFGKRGFJGP-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP CC[NH+](CCc1ccccc1)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001307416845 1049256832 /nfs/dbraw/zinc/25/68/32/1049256832.db2.gz SCNMNFGKRGFJGP-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP CC[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001307515894 1049357569 /nfs/dbraw/zinc/35/75/69/1049357569.db2.gz XHYDINBYQBLLJQ-FXAWDEMLSA-N 2 1 377.960 3.715 20 0 GHADMP CC[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001307515894 1049357573 /nfs/dbraw/zinc/35/75/73/1049357573.db2.gz XHYDINBYQBLLJQ-FXAWDEMLSA-N 2 1 377.960 3.715 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1)CC1CC1 ZINC001307606767 1049446289 /nfs/dbraw/zinc/44/62/89/1049446289.db2.gz PYOAQVREVKZBOM-HSZRJFAPSA-N 2 1 383.580 3.934 20 0 GHADMP CN(C)c1ccc(C2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001307708591 1049523641 /nfs/dbraw/zinc/52/36/41/1049523641.db2.gz MLFOHXLEWVFMFF-VWLOTQADSA-N 2 1 393.575 3.569 20 0 GHADMP CN(C)c1ccc(C2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001307708591 1049523660 /nfs/dbraw/zinc/52/36/60/1049523660.db2.gz MLFOHXLEWVFMFF-VWLOTQADSA-N 2 1 393.575 3.569 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC001307711097 1049526014 /nfs/dbraw/zinc/52/60/14/1049526014.db2.gz YKXGSCCDWJHLPH-FUHWJXTLSA-N 2 1 388.474 3.854 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC001307711097 1049526032 /nfs/dbraw/zinc/52/60/32/1049526032.db2.gz YKXGSCCDWJHLPH-FUHWJXTLSA-N 2 1 388.474 3.854 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@@H](C)C1 ZINC001307711097 1049526048 /nfs/dbraw/zinc/52/60/48/1049526048.db2.gz YKXGSCCDWJHLPH-FUHWJXTLSA-N 2 1 388.474 3.854 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001307800302 1049598486 /nfs/dbraw/zinc/59/84/86/1049598486.db2.gz PWZHLYGKXUXXSX-QTEQDKRBSA-N 2 1 384.495 3.651 20 0 GHADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107711 1049852832 /nfs/dbraw/zinc/85/28/32/1049852832.db2.gz WGUXYFWVARMAJA-UHFFFAOYSA-N 2 1 390.568 3.580 20 0 GHADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107711 1049852844 /nfs/dbraw/zinc/85/28/44/1049852844.db2.gz WGUXYFWVARMAJA-UHFFFAOYSA-N 2 1 390.568 3.580 20 0 GHADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107711 1049852858 /nfs/dbraw/zinc/85/28/58/1049852858.db2.gz WGUXYFWVARMAJA-UHFFFAOYSA-N 2 1 390.568 3.580 20 0 GHADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001308107711 1049852876 /nfs/dbraw/zinc/85/28/76/1049852876.db2.gz WGUXYFWVARMAJA-UHFFFAOYSA-N 2 1 390.568 3.580 20 0 GHADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)cc1 ZINC001308185584 1049904448 /nfs/dbraw/zinc/90/44/48/1049904448.db2.gz BVPZFBANWDRSAC-UHFFFAOYSA-N 2 1 398.473 3.801 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC ZINC001308260351 1049929282 /nfs/dbraw/zinc/92/92/82/1049929282.db2.gz HLHINNVAKAEKSE-YLJYHZDGSA-N 2 1 376.541 3.606 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001290890853 1049945163 /nfs/dbraw/zinc/94/51/63/1049945163.db2.gz HKQLUPVMOZMFLT-WZONZLPQSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001290890853 1049945167 /nfs/dbraw/zinc/94/51/67/1049945167.db2.gz HKQLUPVMOZMFLT-WZONZLPQSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001290890853 1049945168 /nfs/dbraw/zinc/94/51/68/1049945168.db2.gz HKQLUPVMOZMFLT-WZONZLPQSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001290890850 1049945279 /nfs/dbraw/zinc/94/52/79/1049945279.db2.gz HKQLUPVMOZMFLT-FDDCHVKYSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001290890850 1049945282 /nfs/dbraw/zinc/94/52/82/1049945282.db2.gz HKQLUPVMOZMFLT-FDDCHVKYSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001290890850 1049945284 /nfs/dbraw/zinc/94/52/84/1049945284.db2.gz HKQLUPVMOZMFLT-FDDCHVKYSA-N 2 1 389.559 3.747 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC001290995378 1049967115 /nfs/dbraw/zinc/96/71/15/1049967115.db2.gz YHIKILUSBXXTMI-MQSCRBSSSA-N 2 1 385.596 3.834 20 0 GHADMP C[N@H+](Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2)CC1CC[NH+](C)CC1 ZINC001308585502 1050020881 /nfs/dbraw/zinc/02/08/81/1050020881.db2.gz SGYLDJZSWABSSG-UHFFFAOYSA-N 2 1 387.568 3.753 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccc3c(c2)CCCC3)CC1)Cc1ccccc1 ZINC001308615016 1050033276 /nfs/dbraw/zinc/03/32/76/1050033276.db2.gz BKERGUNKBFCLRF-UHFFFAOYSA-N 2 1 377.576 3.815 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]CCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001308865001 1050129838 /nfs/dbraw/zinc/12/98/38/1050129838.db2.gz UVPLVGAANXVXBQ-YGFFAISXSA-N 2 1 379.589 3.876 20 0 GHADMP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001327646853 1050242204 /nfs/dbraw/zinc/24/22/04/1050242204.db2.gz JGZPGQUJATXZCX-AWEZNQCLSA-N 2 1 393.890 3.713 20 0 GHADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001327646853 1050242216 /nfs/dbraw/zinc/24/22/16/1050242216.db2.gz JGZPGQUJATXZCX-AWEZNQCLSA-N 2 1 393.890 3.713 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001330623535 1051044405 /nfs/dbraw/zinc/04/44/05/1051044405.db2.gz UYISVUALIDUKQI-XCSKNGGISA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001330623535 1051044416 /nfs/dbraw/zinc/04/44/16/1051044416.db2.gz UYISVUALIDUKQI-XCSKNGGISA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001330623535 1051044421 /nfs/dbraw/zinc/04/44/21/1051044421.db2.gz UYISVUALIDUKQI-XCSKNGGISA-N 2 1 398.595 3.744 20 0 GHADMP CCN(C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001311079059 1051835313 /nfs/dbraw/zinc/83/53/13/1051835313.db2.gz UCMRIWDCRBHLLI-YLJYHZDGSA-N 2 1 381.524 3.837 20 0 GHADMP CCN(C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311079059 1051835322 /nfs/dbraw/zinc/83/53/22/1051835322.db2.gz UCMRIWDCRBHLLI-YLJYHZDGSA-N 2 1 381.524 3.837 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001334971569 1052018579 /nfs/dbraw/zinc/01/85/79/1052018579.db2.gz GZNBXMQJKXAWHN-LRSLUSHPSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@H]2OCCC[C@H]2C1)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001334971569 1052018591 /nfs/dbraw/zinc/01/85/91/1052018591.db2.gz GZNBXMQJKXAWHN-LRSLUSHPSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@H]2OCCC[C@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001334971569 1052018599 /nfs/dbraw/zinc/01/85/99/1052018599.db2.gz GZNBXMQJKXAWHN-LRSLUSHPSA-N 2 1 394.676 3.697 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001311373969 1052070073 /nfs/dbraw/zinc/07/00/73/1052070073.db2.gz MWCFZJRBEIZFJM-UXHICEINSA-N 2 1 392.975 3.651 20 0 GHADMP C[C@H](CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[NH+]1CCCC[C@H]1C ZINC001311395125 1052088994 /nfs/dbraw/zinc/08/89/94/1052088994.db2.gz IQJDIGOPDOVMPW-WOJBJXKFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1)[N@@H+]1CCCC[C@H]1C ZINC001311395125 1052089007 /nfs/dbraw/zinc/08/90/07/1052089007.db2.gz IQJDIGOPDOVMPW-WOJBJXKFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1)[N@H+]1CCCC[C@H]1C ZINC001311395125 1052089017 /nfs/dbraw/zinc/08/90/17/1052089017.db2.gz IQJDIGOPDOVMPW-WOJBJXKFSA-N 2 1 386.584 3.603 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C)C(C)C ZINC001311421134 1052126433 /nfs/dbraw/zinc/12/64/33/1052126433.db2.gz SDGUAYGQMXHBKS-QHAWAJNXSA-N 2 1 388.600 3.798 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001336228736 1052241392 /nfs/dbraw/zinc/24/13/92/1052241392.db2.gz MTKZWQBKULVNRT-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001311694288 1052336350 /nfs/dbraw/zinc/33/63/50/1052336350.db2.gz LQHZQFKRPZJYRD-VQTJNVASSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001311694288 1052336357 /nfs/dbraw/zinc/33/63/57/1052336357.db2.gz LQHZQFKRPZJYRD-VQTJNVASSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CC2CCCCC2)CC1 ZINC001312995840 1052929618 /nfs/dbraw/zinc/92/96/18/1052929618.db2.gz MWDQICLEIFGWPN-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CC2CCCCC2)CC1 ZINC001312995840 1052929619 /nfs/dbraw/zinc/92/96/19/1052929619.db2.gz MWDQICLEIFGWPN-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1 ZINC001313248195 1052996106 /nfs/dbraw/zinc/99/61/06/1052996106.db2.gz TZIZTHRTBVENGW-HXUWFJFHSA-N 2 1 388.600 3.849 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001313248195 1052996107 /nfs/dbraw/zinc/99/61/07/1052996107.db2.gz TZIZTHRTBVENGW-HXUWFJFHSA-N 2 1 388.600 3.849 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001313248195 1052996108 /nfs/dbraw/zinc/99/61/08/1052996108.db2.gz TZIZTHRTBVENGW-HXUWFJFHSA-N 2 1 388.600 3.849 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[NH+](C)C(C)(C)C2)CCCCC1 ZINC001313248312 1052996142 /nfs/dbraw/zinc/99/61/42/1052996142.db2.gz WRPQZBPMQJMPHJ-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC001313248312 1052996143 /nfs/dbraw/zinc/99/61/43/1052996143.db2.gz WRPQZBPMQJMPHJ-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC001313248312 1052996145 /nfs/dbraw/zinc/99/61/45/1052996145.db2.gz WRPQZBPMQJMPHJ-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP CC[N@@H+](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001313816242 1053245076 /nfs/dbraw/zinc/24/50/76/1053245076.db2.gz TWPKVGBJTZAQBQ-RBUKOAKNSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)C(C)C ZINC001313816242 1053245085 /nfs/dbraw/zinc/24/50/85/1053245085.db2.gz TWPKVGBJTZAQBQ-RBUKOAKNSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)C(C)C ZINC001313816242 1053245095 /nfs/dbraw/zinc/24/50/95/1053245095.db2.gz TWPKVGBJTZAQBQ-RBUKOAKNSA-N 2 1 390.620 3.585 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001317907924 1054302953 /nfs/dbraw/zinc/30/29/53/1054302953.db2.gz KSPADPUXPOPDIA-LJQANCHMSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001353959841 1056188342 /nfs/dbraw/zinc/18/83/42/1056188342.db2.gz AOVAHXXLBTZCNK-DHIUTWEWSA-N 2 1 385.596 3.771 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc2c1OCCO2 ZINC001200533420 1056257350 /nfs/dbraw/zinc/25/73/50/1056257350.db2.gz AFDASGSELZAWGL-KRWDZBQOSA-N 2 1 382.504 3.782 20 0 GHADMP Cc1c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cnn1-c1cc[nH+]cc1 ZINC001323097397 1056922273 /nfs/dbraw/zinc/92/22/73/1056922273.db2.gz CKEOPUWBGAWWTO-UHFFFAOYSA-N 2 1 389.503 3.856 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001324737129 1057215882 /nfs/dbraw/zinc/21/58/82/1057215882.db2.gz QQXYXOSBBLOQEF-GLCCWIKHSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001324737129 1057215887 /nfs/dbraw/zinc/21/58/87/1057215887.db2.gz QQXYXOSBBLOQEF-GLCCWIKHSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001324737129 1057215894 /nfs/dbraw/zinc/21/58/94/1057215894.db2.gz QQXYXOSBBLOQEF-GLCCWIKHSA-N 2 1 398.595 3.696 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000848893100 1057402146 /nfs/dbraw/zinc/40/21/46/1057402146.db2.gz PKDGNJGJFXQEJQ-JYBLJSLWSA-N 2 1 382.504 3.988 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)o1 ZINC000848893100 1057402153 /nfs/dbraw/zinc/40/21/53/1057402153.db2.gz PKDGNJGJFXQEJQ-JYBLJSLWSA-N 2 1 382.504 3.988 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001326372978 1057469581 /nfs/dbraw/zinc/46/95/81/1057469581.db2.gz UJQSPVFYDADBTK-HNNXBMFYSA-N 2 1 377.492 3.821 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001326408926 1057477577 /nfs/dbraw/zinc/47/75/77/1057477577.db2.gz SJBYSMYLBVCVEA-QGZVFWFLSA-N 2 1 375.476 3.894 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001326408926 1057477580 /nfs/dbraw/zinc/47/75/80/1057477580.db2.gz SJBYSMYLBVCVEA-QGZVFWFLSA-N 2 1 375.476 3.894 20 0 GHADMP COc1ccc(NC(=[NH2+])NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000848989555 1057492647 /nfs/dbraw/zinc/49/26/47/1057492647.db2.gz WSPCFXMPBQMWMB-MJGOQNOKSA-N 2 1 396.535 3.941 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000848989509 1057493398 /nfs/dbraw/zinc/49/33/98/1057493398.db2.gz WCZDLJZUWYLWQR-CBQOVEMMSA-N 2 1 392.547 3.925 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC001356506244 1057531612 /nfs/dbraw/zinc/53/16/12/1057531612.db2.gz GPLRBQJRDWTANP-JFJDKTSWSA-N 2 1 385.596 3.914 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001356506244 1057531621 /nfs/dbraw/zinc/53/16/21/1057531621.db2.gz GPLRBQJRDWTANP-JFJDKTSWSA-N 2 1 385.596 3.914 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001356506244 1057531630 /nfs/dbraw/zinc/53/16/30/1057531630.db2.gz GPLRBQJRDWTANP-JFJDKTSWSA-N 2 1 385.596 3.914 20 0 GHADMP COc1ccc([C@H](CNC(=[NH2+])NCc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000849054270 1057564954 /nfs/dbraw/zinc/56/49/54/1057564954.db2.gz ZRAYCDUOOXLCJH-QFIPXVFZSA-N 2 1 380.536 3.845 20 0 GHADMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000849091385 1057590289 /nfs/dbraw/zinc/59/02/89/1057590289.db2.gz BLUQUADMDFMKDC-CTNGQTDRSA-N 2 1 378.520 3.536 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001441221452 1058727352 /nfs/dbraw/zinc/72/73/52/1058727352.db2.gz CZMDEAYCDGHJLM-XZOQPEGZSA-N 2 1 379.548 3.850 20 0 GHADMP O=C([C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001442470663 1058964717 /nfs/dbraw/zinc/96/47/17/1058964717.db2.gz FZLONOHZVZJVAL-DEOSSOPVSA-N 2 1 397.607 3.666 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Nc2ccccc2)c1 ZINC001442923369 1059028527 /nfs/dbraw/zinc/02/85/27/1059028527.db2.gz MKHXHFVYOJAYOI-QHCPKHFHSA-N 2 1 394.563 3.918 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001443208473 1059083774 /nfs/dbraw/zinc/08/37/74/1059083774.db2.gz OLJATZRVWQZGID-FQEVSTJZSA-N 2 1 389.559 3.761 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001443208473 1059083798 /nfs/dbraw/zinc/08/37/98/1059083798.db2.gz OLJATZRVWQZGID-FQEVSTJZSA-N 2 1 389.559 3.761 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001443208473 1059083822 /nfs/dbraw/zinc/08/38/22/1059083822.db2.gz OLJATZRVWQZGID-FQEVSTJZSA-N 2 1 389.559 3.761 20 0 GHADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001443289723 1059097531 /nfs/dbraw/zinc/09/75/31/1059097531.db2.gz JCRSCAHQSBMHIO-GOTSBHOMSA-N 2 1 397.538 3.580 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447099051 1059926677 /nfs/dbraw/zinc/92/66/77/1059926677.db2.gz CVCQZUUOGBMDDQ-CDHQVMDDSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447099051 1059926678 /nfs/dbraw/zinc/92/66/78/1059926678.db2.gz CVCQZUUOGBMDDQ-CDHQVMDDSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447099051 1059926681 /nfs/dbraw/zinc/92/66/81/1059926681.db2.gz CVCQZUUOGBMDDQ-CDHQVMDDSA-N 2 1 393.934 3.605 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC001341113448 1060410289 /nfs/dbraw/zinc/41/02/89/1060410289.db2.gz VBJAOVTYBFWPCE-FCHUYYIVSA-N 2 1 398.526 3.522 20 0 GHADMP CC[C@H]1c2ccccc2CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341462590 1060699416 /nfs/dbraw/zinc/69/94/16/1060699416.db2.gz BRJOQCTUTBCMIX-QFIPXVFZSA-N 2 1 377.532 3.864 20 0 GHADMP CCOc1ccccc1[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001341714802 1060832336 /nfs/dbraw/zinc/83/23/36/1060832336.db2.gz QXGBMZQVAUQWIA-BVYCBKJFSA-N 2 1 395.547 3.502 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001452135716 1060904456 /nfs/dbraw/zinc/90/44/56/1060904456.db2.gz PVBARECNYINBMJ-HSZRJFAPSA-N 2 1 385.596 3.866 20 0 GHADMP CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)(c2ccccc2)CC1 ZINC001454459908 1061789968 /nfs/dbraw/zinc/78/99/68/1061789968.db2.gz MECPRYODXFSSKI-QHCPKHFHSA-N 2 1 391.559 3.522 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)CCCCC1 ZINC001455494960 1062185989 /nfs/dbraw/zinc/18/59/89/1062185989.db2.gz INXGOESALHUGOR-QFIPXVFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC001455494960 1062186010 /nfs/dbraw/zinc/18/60/10/1062186010.db2.gz INXGOESALHUGOR-QFIPXVFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC001455494960 1062186027 /nfs/dbraw/zinc/18/60/27/1062186027.db2.gz INXGOESALHUGOR-QFIPXVFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001456795614 1062859520 /nfs/dbraw/zinc/85/95/20/1062859520.db2.gz IDHKZUIYGFXYIU-DHIUTWEWSA-N 2 1 397.538 3.627 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001456795614 1062859540 /nfs/dbraw/zinc/85/95/40/1062859540.db2.gz IDHKZUIYGFXYIU-DHIUTWEWSA-N 2 1 397.538 3.627 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1cccc2ccccc21 ZINC001349389428 1063692344 /nfs/dbraw/zinc/69/23/44/1063692344.db2.gz MYDSTNYWOZZENE-OALUTQOASA-N 2 1 379.548 3.871 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC001438209863 1064008384 /nfs/dbraw/zinc/00/83/84/1064008384.db2.gz RMSAXYZVCWGFGE-FGZHOGPDSA-N 2 1 385.596 3.868 20 0 GHADMP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460001582 1064335925 /nfs/dbraw/zinc/33/59/25/1064335925.db2.gz XWVVUSGYEMEUMV-NSISKUIASA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460001582 1064335932 /nfs/dbraw/zinc/33/59/32/1064335932.db2.gz XWVVUSGYEMEUMV-NSISKUIASA-N 2 1 377.960 3.714 20 0 GHADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001460064398 1064390691 /nfs/dbraw/zinc/39/06/91/1064390691.db2.gz JSHVWHFTLVKBLY-NZQKXSOJSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001460064398 1064390697 /nfs/dbraw/zinc/39/06/97/1064390697.db2.gz JSHVWHFTLVKBLY-NZQKXSOJSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001460064398 1064390700 /nfs/dbraw/zinc/39/07/00/1064390700.db2.gz JSHVWHFTLVKBLY-NZQKXSOJSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001460064398 1064390704 /nfs/dbraw/zinc/39/07/04/1064390704.db2.gz JSHVWHFTLVKBLY-NZQKXSOJSA-N 2 1 379.548 3.514 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@H]2COCC[C@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC001351375320 1064415776 /nfs/dbraw/zinc/41/57/76/1064415776.db2.gz SFBSBDFQVYLDRY-ZDNVTZCJSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC001351375320 1064415789 /nfs/dbraw/zinc/41/57/89/1064415789.db2.gz SFBSBDFQVYLDRY-ZDNVTZCJSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC001351375320 1064415796 /nfs/dbraw/zinc/41/57/96/1064415796.db2.gz SFBSBDFQVYLDRY-ZDNVTZCJSA-N 2 1 394.676 3.697 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)ccc(C4OCCO4)c3Cl)C[C@H]2C1 ZINC001352114020 1064845593 /nfs/dbraw/zinc/84/55/93/1064845593.db2.gz XMJNVXCVEKSNKO-RRFJBIMHSA-N 2 1 382.907 3.687 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCC[C@@H](C)C4)cc3)C[N@H+]2C1 ZINC001464155214 1064871797 /nfs/dbraw/zinc/87/17/97/1064871797.db2.gz SJEKQHZGYGTELR-DAVBRLECSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)C[NH+]2C1 ZINC001464155214 1064871808 /nfs/dbraw/zinc/87/18/08/1064871808.db2.gz SJEKQHZGYGTELR-DAVBRLECSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)C[NH+]2C1 ZINC001464155214 1064871823 /nfs/dbraw/zinc/87/18/23/1064871823.db2.gz SJEKQHZGYGTELR-DAVBRLECSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)C1 ZINC001464216498 1064911722 /nfs/dbraw/zinc/91/17/22/1064911722.db2.gz IMTNVIIXIVKFOW-FXELSEDVSA-N 2 1 386.584 3.927 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC001464696470 1065160852 /nfs/dbraw/zinc/16/08/52/1065160852.db2.gz QASNKLVBWVTQJV-AEFFLSMTSA-N 2 1 398.016 3.695 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720638 1065252113 /nfs/dbraw/zinc/25/21/13/1065252113.db2.gz WIIXAITVQJDNMB-IBGZPJMESA-N 2 1 397.485 3.613 20 0 GHADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720638 1065252128 /nfs/dbraw/zinc/25/21/28/1065252128.db2.gz WIIXAITVQJDNMB-IBGZPJMESA-N 2 1 397.485 3.613 20 0 GHADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720638 1065252142 /nfs/dbraw/zinc/25/21/42/1065252142.db2.gz WIIXAITVQJDNMB-IBGZPJMESA-N 2 1 397.485 3.613 20 0 GHADMP CC(C)[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720638 1065252156 /nfs/dbraw/zinc/25/21/56/1065252156.db2.gz WIIXAITVQJDNMB-IBGZPJMESA-N 2 1 397.485 3.613 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001353158904 1065720267 /nfs/dbraw/zinc/72/02/67/1065720267.db2.gz MYQYFGVWSGVXRO-UHFFFAOYSA-N 2 1 392.956 3.886 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC001353242665 1065798209 /nfs/dbraw/zinc/79/82/09/1065798209.db2.gz ZUALOAPEKPANQP-QPPBQGQZSA-N 2 1 391.515 3.725 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001466808024 1066329148 /nfs/dbraw/zinc/32/91/48/1066329148.db2.gz JHZZYUVRUTXZBJ-FXAWDEMLSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001466808024 1066329162 /nfs/dbraw/zinc/32/91/62/1066329162.db2.gz JHZZYUVRUTXZBJ-FXAWDEMLSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC001467299800 1067209114 /nfs/dbraw/zinc/20/91/14/1067209114.db2.gz OCOXMMCIHWZARX-OFAXGOBFSA-N 2 1 397.538 3.988 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC001467299800 1067209126 /nfs/dbraw/zinc/20/91/26/1067209126.db2.gz OCOXMMCIHWZARX-OFAXGOBFSA-N 2 1 397.538 3.988 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)c2)CC1 ZINC001467569774 1067364720 /nfs/dbraw/zinc/36/47/20/1067364720.db2.gz DRXLSALMLWUTRR-NRFANRHFSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC34CC[NH+](C)CC4)cc2)C1 ZINC001467610058 1067383837 /nfs/dbraw/zinc/38/38/37/1067383837.db2.gz SRMMXLSQSZBHLE-BGYRXZFFSA-N 2 1 398.595 3.544 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC001467861582 1067503539 /nfs/dbraw/zinc/50/35/39/1067503539.db2.gz MVPDEEIUYYTWIH-PMACEKPBSA-N 2 1 388.600 3.981 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001467861582 1067503545 /nfs/dbraw/zinc/50/35/45/1067503545.db2.gz MVPDEEIUYYTWIH-PMACEKPBSA-N 2 1 388.600 3.981 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001467861582 1067503558 /nfs/dbraw/zinc/50/35/58/1067503558.db2.gz MVPDEEIUYYTWIH-PMACEKPBSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001477727065 1078543999 /nfs/dbraw/zinc/54/39/99/1078543999.db2.gz RZXMVHPHQMMSAH-WOJBJXKFSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[NH+](C)C)cc1 ZINC001468351914 1067699047 /nfs/dbraw/zinc/69/90/47/1067699047.db2.gz SEYMURMTAPHJRN-FCHUYYIVSA-N 2 1 386.584 3.694 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC001468415146 1067724419 /nfs/dbraw/zinc/72/44/19/1067724419.db2.gz WOUIBFIAXSFJTO-FQEVSTJZSA-N 2 1 394.563 3.727 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC001468415146 1067724427 /nfs/dbraw/zinc/72/44/27/1067724427.db2.gz WOUIBFIAXSFJTO-FQEVSTJZSA-N 2 1 394.563 3.727 20 0 GHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccc(C)c(F)c1 ZINC001469614020 1068258966 /nfs/dbraw/zinc/25/89/66/1068258966.db2.gz YGXKSQJUPIVXBQ-FPOVZHCZSA-N 2 1 392.563 3.643 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001478058178 1078695818 /nfs/dbraw/zinc/69/58/18/1078695818.db2.gz QRZGKQURKZVIFT-NRFANRHFSA-N 2 1 378.605 3.549 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC001469896183 1068455647 /nfs/dbraw/zinc/45/56/47/1068455647.db2.gz VMEHQIPXRQHFKT-FGZHOGPDSA-N 2 1 399.966 3.718 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC001469896183 1068455652 /nfs/dbraw/zinc/45/56/52/1068455652.db2.gz VMEHQIPXRQHFKT-FGZHOGPDSA-N 2 1 399.966 3.718 20 0 GHADMP CCc1nccn1[C@@H](C)CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001470293749 1068668659 /nfs/dbraw/zinc/66/86/59/1068668659.db2.gz NTUYMMIOCGPDNZ-PZJWPPBQSA-N 2 1 382.552 3.766 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001470293749 1068668665 /nfs/dbraw/zinc/66/86/65/1068668665.db2.gz NTUYMMIOCGPDNZ-PZJWPPBQSA-N 2 1 382.552 3.766 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC001478210611 1078767008 /nfs/dbraw/zinc/76/70/08/1078767008.db2.gz HSZUICUIARNZHP-JOCHJYFZSA-N 2 1 388.600 3.981 20 0 GHADMP COc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC001460305878 1068916934 /nfs/dbraw/zinc/91/69/34/1068916934.db2.gz REKRVVZZYPKIQZ-UHFFFAOYSA-N 2 1 376.298 3.565 20 0 GHADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC001460305878 1068916936 /nfs/dbraw/zinc/91/69/36/1068916936.db2.gz REKRVVZZYPKIQZ-UHFFFAOYSA-N 2 1 376.298 3.565 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001460744887 1069151069 /nfs/dbraw/zinc/15/10/69/1069151069.db2.gz DSVNLHOABWVIRW-FBLLAGFSSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001460744887 1069151076 /nfs/dbraw/zinc/15/10/76/1069151076.db2.gz DSVNLHOABWVIRW-FBLLAGFSSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001460744887 1069151083 /nfs/dbraw/zinc/15/10/83/1069151083.db2.gz DSVNLHOABWVIRW-FBLLAGFSSA-N 2 1 397.607 3.725 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1ccco1 ZINC001478619468 1078937448 /nfs/dbraw/zinc/93/74/48/1078937448.db2.gz IMFJPFXEUBALNB-FPOVZHCZSA-N 2 1 398.551 3.545 20 0 GHADMP CC1(C)CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001470823195 1072755803 /nfs/dbraw/zinc/75/58/03/1072755803.db2.gz JEPVXNJUYYNWTH-JOCHJYFZSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823195 1072755808 /nfs/dbraw/zinc/75/58/08/1072755808.db2.gz JEPVXNJUYYNWTH-JOCHJYFZSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823195 1072755811 /nfs/dbraw/zinc/75/58/11/1072755811.db2.gz JEPVXNJUYYNWTH-JOCHJYFZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471043839 1072900879 /nfs/dbraw/zinc/90/08/79/1072900879.db2.gz ALESTOAYDRYBPP-YMPZKCBVSA-N 2 1 398.595 3.699 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001479002072 1079059863 /nfs/dbraw/zinc/05/98/63/1079059863.db2.gz XTRFKNWRJFZVEU-IRLDBZIGSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001479002072 1079059870 /nfs/dbraw/zinc/05/98/70/1079059870.db2.gz XTRFKNWRJFZVEU-IRLDBZIGSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001479002072 1079059879 /nfs/dbraw/zinc/05/98/79/1079059879.db2.gz XTRFKNWRJFZVEU-IRLDBZIGSA-N 2 1 390.616 3.737 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001479083155 1079096642 /nfs/dbraw/zinc/09/66/42/1079096642.db2.gz QLKXEXXFUWCZLN-VJBMBRPKSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001479083155 1079096643 /nfs/dbraw/zinc/09/66/43/1079096643.db2.gz QLKXEXXFUWCZLN-VJBMBRPKSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001479083155 1079096646 /nfs/dbraw/zinc/09/66/46/1079096646.db2.gz QLKXEXXFUWCZLN-VJBMBRPKSA-N 2 1 398.595 3.870 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC001479147111 1079123582 /nfs/dbraw/zinc/12/35/82/1079123582.db2.gz DUPCKGCEVBAMOT-YGWXTMFKSA-N 2 1 392.632 3.935 20 0 GHADMP CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001473169728 1073827960 /nfs/dbraw/zinc/82/79/60/1073827960.db2.gz FLPCKFVSUWESME-XUVXKRRUSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001473169728 1073827967 /nfs/dbraw/zinc/82/79/67/1073827967.db2.gz FLPCKFVSUWESME-XUVXKRRUSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001473169728 1073827974 /nfs/dbraw/zinc/82/79/74/1073827974.db2.gz FLPCKFVSUWESME-XUVXKRRUSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001473169728 1073827983 /nfs/dbraw/zinc/82/79/83/1073827983.db2.gz FLPCKFVSUWESME-XUVXKRRUSA-N 2 1 392.609 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cccc2C1 ZINC001473177838 1073833793 /nfs/dbraw/zinc/83/37/93/1073833793.db2.gz PYDAYBXMZJTVIX-IBGZPJMESA-N 2 1 399.579 3.898 20 0 GHADMP CC(C)[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473221634 1073870257 /nfs/dbraw/zinc/87/02/57/1073870257.db2.gz BJXILOQALSMIPO-FXAWDEMLSA-N 2 1 377.960 3.571 20 0 GHADMP CC(C)[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473221634 1073870271 /nfs/dbraw/zinc/87/02/71/1073870271.db2.gz BJXILOQALSMIPO-FXAWDEMLSA-N 2 1 377.960 3.571 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCSC(F)(F)F)C2)ccn1 ZINC001473670011 1074076286 /nfs/dbraw/zinc/07/62/86/1074076286.db2.gz GBNONRNAMNRIPI-INIZCTEOSA-N 2 1 377.476 3.628 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCSC(F)(F)F)C2)ccn1 ZINC001473670011 1074076295 /nfs/dbraw/zinc/07/62/95/1074076295.db2.gz GBNONRNAMNRIPI-INIZCTEOSA-N 2 1 377.476 3.628 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCSC(F)(F)F)C2)ccn1 ZINC001473670011 1074076309 /nfs/dbraw/zinc/07/63/09/1074076309.db2.gz GBNONRNAMNRIPI-INIZCTEOSA-N 2 1 377.476 3.628 20 0 GHADMP CC[N@H+](Cc1ccc(OCC(=O)OC)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001474325176 1074343355 /nfs/dbraw/zinc/34/33/55/1074343355.db2.gz SMOQNVJMUYYDKZ-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CC[NH+]1CCCCCC1 ZINC001495288235 1079398197 /nfs/dbraw/zinc/39/81/97/1079398197.db2.gz WXTIHKYGXHKYBM-XUVXKRRUSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001495638915 1079425698 /nfs/dbraw/zinc/42/56/98/1079425698.db2.gz IFUJEVYXTDFLRH-VQTJNVASSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCCC[NH+]1CC ZINC001495638915 1079425702 /nfs/dbraw/zinc/42/57/02/1079425702.db2.gz IFUJEVYXTDFLRH-VQTJNVASSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCCC[NH+]1CC ZINC001495638915 1079425704 /nfs/dbraw/zinc/42/57/04/1079425704.db2.gz IFUJEVYXTDFLRH-VQTJNVASSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001496157380 1079458659 /nfs/dbraw/zinc/45/86/59/1079458659.db2.gz CULYQCSRZJYJKM-LJQANCHMSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001496157380 1079458663 /nfs/dbraw/zinc/45/86/63/1079458663.db2.gz CULYQCSRZJYJKM-LJQANCHMSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001496157380 1079458667 /nfs/dbraw/zinc/45/86/67/1079458667.db2.gz CULYQCSRZJYJKM-LJQANCHMSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736266471 598491761 /nfs/dbraw/zinc/49/17/61/598491761.db2.gz HZYBIJFQWWRREZ-QGZVFWFLSA-N 2 1 376.508 3.531 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC000820648475 606408698 /nfs/dbraw/zinc/40/86/98/606408698.db2.gz AEVCAEJXNRDTQB-IYBDPMFKSA-N 2 1 396.564 3.696 20 0 GHADMP COc1cc2cnc(Cl)cc2cc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685383 719654246 /nfs/dbraw/zinc/65/42/46/719654246.db2.gz ZWSGDUBSVVHJJU-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP COc1cc2cnc(Cl)cc2cc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685383 719654251 /nfs/dbraw/zinc/65/42/51/719654251.db2.gz ZWSGDUBSVVHJJU-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP Cc1[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc2[nH]ccc21 ZINC001164697695 719896682 /nfs/dbraw/zinc/89/66/82/719896682.db2.gz NSMSEKKYQLYKQL-UHFFFAOYSA-N 2 1 382.533 3.804 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001164773642 721290434 /nfs/dbraw/zinc/29/04/34/721290434.db2.gz SMBYTBLSAXDZGN-UHFFFAOYSA-N 2 1 391.494 3.541 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001164773642 721290448 /nfs/dbraw/zinc/29/04/48/721290448.db2.gz SMBYTBLSAXDZGN-UHFFFAOYSA-N 2 1 391.494 3.541 20 0 GHADMP FC1(F)CCN(c2ccc3c([nH+]2)CCC3)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906710 721699746 /nfs/dbraw/zinc/69/97/46/721699746.db2.gz PEQAHQIZUWLEAZ-OAQYLSRUSA-N 2 1 384.474 3.703 20 0 GHADMP FC1(F)CCN(c2ccc3c([nH+]2)CCC3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906710 721699755 /nfs/dbraw/zinc/69/97/55/721699755.db2.gz PEQAHQIZUWLEAZ-OAQYLSRUSA-N 2 1 384.474 3.703 20 0 GHADMP Cc1cc2ccccc2c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164985011 722130709 /nfs/dbraw/zinc/13/07/09/722130709.db2.gz YTUIVQJWCLCZNH-FYYLOGMGSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cc2ccccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164985011 722130712 /nfs/dbraw/zinc/13/07/12/722130712.db2.gz YTUIVQJWCLCZNH-FYYLOGMGSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981033 722149257 /nfs/dbraw/zinc/14/92/57/722149257.db2.gz OJXDQPFTVKYZFR-YADHBBJMSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981033 722149260 /nfs/dbraw/zinc/14/92/60/722149260.db2.gz OJXDQPFTVKYZFR-YADHBBJMSA-N 2 1 388.515 3.666 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000647545724 837492965 /nfs/dbraw/zinc/49/29/65/837492965.db2.gz JSIRQZULFQRBQQ-SFTDATJTSA-N 2 1 393.531 3.769 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000187195230 837577594 /nfs/dbraw/zinc/57/75/94/837577594.db2.gz MKIZHUKEKMTJGT-SFHVURJKSA-N 2 1 391.987 3.710 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655692810 837676899 /nfs/dbraw/zinc/67/68/99/837676899.db2.gz VJQDLKUTMWQBBG-DNRQZRRGSA-N 2 1 399.623 3.898 20 0 GHADMP c1ccc(CC2CC[NH+](CCCC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655712506 837704404 /nfs/dbraw/zinc/70/44/04/837704404.db2.gz SIIIKQIGFSUTKV-RUZDIDTESA-N 3 1 399.623 3.564 20 0 GHADMP Clc1ccccc1N1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655715005 837720799 /nfs/dbraw/zinc/72/07/99/837720799.db2.gz GBUFUQUEJFWRTL-OALUTQOASA-N 2 1 377.960 3.542 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)Cc3ccccc3C)CC2)CC1 ZINC000654703819 834357849 /nfs/dbraw/zinc/35/78/49/834357849.db2.gz STPUYDJAPGLPAG-UHFFFAOYSA-N 2 1 385.596 3.629 20 0 GHADMP COC(=O)c1c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000579712853 834421477 /nfs/dbraw/zinc/42/14/77/834421477.db2.gz YCQOSLFTXSWVHI-WMZOPIPTSA-N 2 1 389.499 3.858 20 0 GHADMP COC(=O)c1c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000579712853 834421483 /nfs/dbraw/zinc/42/14/83/834421483.db2.gz YCQOSLFTXSWVHI-WMZOPIPTSA-N 2 1 389.499 3.858 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000583490458 834490162 /nfs/dbraw/zinc/49/01/62/834490162.db2.gz HDMRLHQAJJKIAW-MRXNPFEDSA-N 2 1 380.414 3.719 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000430148819 834595561 /nfs/dbraw/zinc/59/55/61/834595561.db2.gz OMVGHWNTLFBWEA-XMMPIXPASA-N 2 1 394.515 3.580 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000430148819 834595569 /nfs/dbraw/zinc/59/55/69/834595569.db2.gz OMVGHWNTLFBWEA-XMMPIXPASA-N 2 1 394.515 3.580 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430148819 834595578 /nfs/dbraw/zinc/59/55/78/834595578.db2.gz OMVGHWNTLFBWEA-XMMPIXPASA-N 2 1 394.515 3.580 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430148819 834595585 /nfs/dbraw/zinc/59/55/85/834595585.db2.gz OMVGHWNTLFBWEA-XMMPIXPASA-N 2 1 394.515 3.580 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CC3CC3)c3ccccc3)CC2)CC1 ZINC000654833293 834642764 /nfs/dbraw/zinc/64/27/64/834642764.db2.gz DMBXPVASMJOENS-QHCPKHFHSA-N 2 1 383.580 3.840 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066078 834664604 /nfs/dbraw/zinc/66/46/04/834664604.db2.gz YZYDBIMUCJZBGZ-ZJSXRUAMSA-N 2 1 378.564 3.997 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000654864476 834686291 /nfs/dbraw/zinc/68/62/91/834686291.db2.gz AOROITMCSYHJMM-AVRDEDQJSA-N 2 1 388.515 3.880 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000654864476 834686298 /nfs/dbraw/zinc/68/62/98/834686298.db2.gz AOROITMCSYHJMM-AVRDEDQJSA-N 2 1 388.515 3.880 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c(Cl)c2)C1 ZINC000650723157 834695505 /nfs/dbraw/zinc/69/55/05/834695505.db2.gz ICPHZRFSLKPPLF-KBRIMQKVSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c(Cl)c2)C1 ZINC000650723157 834695509 /nfs/dbraw/zinc/69/55/09/834695509.db2.gz ICPHZRFSLKPPLF-KBRIMQKVSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2Cl)C1 ZINC000650724094 834709400 /nfs/dbraw/zinc/70/94/00/834709400.db2.gz YFYDUMUDKWVUQW-HYVNUMGLSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2Cl)C1 ZINC000650724094 834709402 /nfs/dbraw/zinc/70/94/02/834709402.db2.gz YFYDUMUDKWVUQW-HYVNUMGLSA-N 2 1 387.749 3.963 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc2ccncc2s1 ZINC000657868306 834716020 /nfs/dbraw/zinc/71/60/20/834716020.db2.gz NWGSXMWNNMONHC-PXNSSMCTSA-N 2 1 380.561 3.936 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000655744066 837803025 /nfs/dbraw/zinc/80/30/25/837803025.db2.gz NXBYCANUJOHJBJ-GUYCJALGSA-N 2 1 377.330 3.516 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000583612998 834757868 /nfs/dbraw/zinc/75/78/68/834757868.db2.gz LTOXORCAUXJLMQ-SFHVURJKSA-N 2 1 384.568 3.841 20 0 GHADMP COc1cc2ccc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2cc1OC ZINC000657879094 834886093 /nfs/dbraw/zinc/88/60/93/834886093.db2.gz JILKVCHYFKJCOV-UWJYYQICSA-N 2 1 386.536 3.745 20 0 GHADMP CC(C)c1[nH+]c(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c2ccccn21 ZINC000583697429 834890621 /nfs/dbraw/zinc/89/06/21/834890621.db2.gz HLSHJQWHYJVJIR-NRFANRHFSA-N 2 1 391.519 3.520 20 0 GHADMP Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685460131 835026596 /nfs/dbraw/zinc/02/65/96/835026596.db2.gz ZCCBMYWVPBDUEC-QFIPXVFZSA-N 2 1 399.535 3.557 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000583787531 835034485 /nfs/dbraw/zinc/03/44/85/835034485.db2.gz KDWKVXMQIHURJH-WBVHZDCISA-N 2 1 375.607 3.938 20 0 GHADMP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)OCCc2ccccc21 ZINC000685655554 835269000 /nfs/dbraw/zinc/26/90/00/835269000.db2.gz JXYIFBWGLQDARM-AMDXRBSFSA-N 2 1 394.559 3.601 20 0 GHADMP CN(C)c1ccncc1CNCc1cc(Br)ccc1OC(F)F ZINC000185187337 835306864 /nfs/dbraw/zinc/30/68/64/835306864.db2.gz ZSIXMVKCZFEJLX-UHFFFAOYSA-N 2 1 386.240 3.801 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3NC3CCC3)CC2)CC1 ZINC000655162170 835324248 /nfs/dbraw/zinc/32/42/48/835324248.db2.gz DZETZAGIRRYARB-UHFFFAOYSA-N 2 1 384.568 3.786 20 0 GHADMP C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683229768 835325504 /nfs/dbraw/zinc/32/55/04/835325504.db2.gz WENLMUUAUYZIEJ-OPEMAFOOSA-N 2 1 382.523 3.792 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657814419 835373115 /nfs/dbraw/zinc/37/31/15/835373115.db2.gz AELNQXPPLQLIDC-DOTOQJQBSA-N 2 1 386.590 3.997 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000658083482 835405114 /nfs/dbraw/zinc/40/51/14/835405114.db2.gz WNMVGEMISSFLIC-GUDVDZBRSA-N 2 1 390.453 3.886 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000658083482 835405118 /nfs/dbraw/zinc/40/51/18/835405118.db2.gz WNMVGEMISSFLIC-GUDVDZBRSA-N 2 1 390.453 3.886 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](Cc3ccncc3)c3cccs3)cc2)C1 ZINC000658135305 835445234 /nfs/dbraw/zinc/44/52/34/835445234.db2.gz DAFICSVNAGMWSQ-VXKWHMMOSA-N 2 1 393.556 3.783 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137091 835461395 /nfs/dbraw/zinc/46/13/95/835461395.db2.gz JZRBJOLZWKQXQH-AUSIDOKSSA-N 2 1 386.511 3.888 20 0 GHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658137752 835462647 /nfs/dbraw/zinc/46/26/47/835462647.db2.gz IGNAUMYRBYKWCT-UUOWRZLLSA-N 2 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658137752 835462653 /nfs/dbraw/zinc/46/26/53/835462653.db2.gz IGNAUMYRBYKWCT-UUOWRZLLSA-N 3 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658137752 835462660 /nfs/dbraw/zinc/46/26/60/835462660.db2.gz IGNAUMYRBYKWCT-UUOWRZLLSA-N 3 1 390.531 3.598 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C3CCC(F)(F)CC3)CC2)CC1 ZINC000655340544 835550672 /nfs/dbraw/zinc/55/06/72/835550672.db2.gz GNLJUXDLNJYULN-MRXNPFEDSA-N 2 1 385.543 3.513 20 0 GHADMP CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000658296125 835560188 /nfs/dbraw/zinc/56/01/88/835560188.db2.gz GNULUIXNSBNECL-DXBBTUNJSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1=O ZINC000658296879 835561854 /nfs/dbraw/zinc/56/18/54/835561854.db2.gz WMLIUDSZFCUABU-KJJMTIBFSA-N 2 1 383.580 3.666 20 0 GHADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC(F)(F)CC1 ZINC000658322000 835572944 /nfs/dbraw/zinc/57/29/44/835572944.db2.gz YIBAJRFEHWIYFQ-ZCNNSNEGSA-N 2 1 378.507 3.960 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000584108657 835649557 /nfs/dbraw/zinc/64/95/57/835649557.db2.gz NJHSPJKBHHVOKW-MDYRTPRTSA-N 2 1 394.968 3.814 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000154505021 835695512 /nfs/dbraw/zinc/69/55/12/835695512.db2.gz BPKPDCLDBSKREE-KRWDZBQOSA-N 2 1 387.597 3.582 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000274897770 835787217 /nfs/dbraw/zinc/78/72/17/835787217.db2.gz KQDGDKKMEYSGHU-UGKGYDQZSA-N 3 1 393.579 3.562 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000274897770 835787234 /nfs/dbraw/zinc/78/72/34/835787234.db2.gz KQDGDKKMEYSGHU-UGKGYDQZSA-N 3 1 393.579 3.562 20 0 GHADMP OCC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@@H](CCO)C3)c2)C1 ZINC000649286763 835875414 /nfs/dbraw/zinc/87/54/14/835875414.db2.gz XQSMLXKOOHEFDL-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP OCC[C@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@H](CCO)C3)c2)C1 ZINC000649286763 835875420 /nfs/dbraw/zinc/87/54/20/835875420.db2.gz XQSMLXKOOHEFDL-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP OCC[C@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@@H](CCO)C3)c2)C1 ZINC000649286763 835875426 /nfs/dbraw/zinc/87/54/26/835875426.db2.gz XQSMLXKOOHEFDL-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000151860678 835949225 /nfs/dbraw/zinc/94/92/25/835949225.db2.gz PXUYDIABEPDULB-QFIPXVFZSA-N 2 1 395.547 3.581 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647479696 836192931 /nfs/dbraw/zinc/19/29/31/836192931.db2.gz PWBFMIPPVIMYQR-QUCCMNQESA-N 2 1 392.469 3.914 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647479696 836192933 /nfs/dbraw/zinc/19/29/33/836192933.db2.gz PWBFMIPPVIMYQR-QUCCMNQESA-N 2 1 392.469 3.914 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000511502733 836293381 /nfs/dbraw/zinc/29/33/81/836293381.db2.gz FALLRLOVPSHKMY-UHFFFAOYSA-N 2 1 378.564 3.541 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC000376005337 836485859 /nfs/dbraw/zinc/48/58/59/836485859.db2.gz VWDCHIINBLCMQS-KCSJKLDESA-N 2 1 381.564 3.563 20 0 GHADMP O=C(NCc1ccc(Cl)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209452997 836588114 /nfs/dbraw/zinc/58/81/14/836588114.db2.gz BMVDVGDMAVDHNE-UHFFFAOYSA-N 2 1 377.960 3.544 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000512544067 844225305 /nfs/dbraw/zinc/22/53/05/844225305.db2.gz DNKPTPDYORKZAZ-HKUYNNGSSA-N 2 1 385.577 3.840 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)c2sccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000512544070 844225520 /nfs/dbraw/zinc/22/55/20/844225520.db2.gz DNKPTPDYORKZAZ-PKOBYXMFSA-N 2 1 385.577 3.840 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000471294270 837069063 /nfs/dbraw/zinc/06/90/63/837069063.db2.gz XHOMAESZPWNHHU-JOCHJYFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000471294270 837069068 /nfs/dbraw/zinc/06/90/68/837069068.db2.gz XHOMAESZPWNHHU-JOCHJYFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000471294270 837069082 /nfs/dbraw/zinc/06/90/82/837069082.db2.gz XHOMAESZPWNHHU-JOCHJYFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1)C(C)C ZINC000110120127 844240388 /nfs/dbraw/zinc/24/03/88/844240388.db2.gz HIZKUMNDILVKGI-UHFFFAOYSA-N 2 1 393.575 3.917 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1)C(C)C ZINC000110120127 844240399 /nfs/dbraw/zinc/24/03/99/844240399.db2.gz HIZKUMNDILVKGI-UHFFFAOYSA-N 2 1 393.575 3.917 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000549770211 844247587 /nfs/dbraw/zinc/24/75/87/844247587.db2.gz QOSMJEMNSSBQQX-RPWUZVMVSA-N 2 1 393.575 3.578 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000549770211 844247596 /nfs/dbraw/zinc/24/75/96/844247596.db2.gz QOSMJEMNSSBQQX-RPWUZVMVSA-N 2 1 393.575 3.578 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000549770211 844247604 /nfs/dbraw/zinc/24/76/04/844247604.db2.gz QOSMJEMNSSBQQX-RPWUZVMVSA-N 2 1 393.575 3.578 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000533625720 837241660 /nfs/dbraw/zinc/24/16/60/837241660.db2.gz GXHFRBGMWBDWEW-UHFFFAOYSA-N 2 1 379.295 3.649 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000177479910 837978637 /nfs/dbraw/zinc/97/86/37/837978637.db2.gz MQULVOCXBMJMEM-YOSAUDMPSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000177479910 837978645 /nfs/dbraw/zinc/97/86/45/837978645.db2.gz MQULVOCXBMJMEM-YOSAUDMPSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000177479910 837978652 /nfs/dbraw/zinc/97/86/52/837978652.db2.gz MQULVOCXBMJMEM-YOSAUDMPSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000177479910 837978658 /nfs/dbraw/zinc/97/86/58/837978658.db2.gz MQULVOCXBMJMEM-YOSAUDMPSA-N 2 1 391.559 3.603 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000655831861 837997840 /nfs/dbraw/zinc/99/78/40/837997840.db2.gz MCIWMLPPKSJJLJ-MDNUFGMLSA-N 2 1 397.607 3.914 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccc(Cl)c(C)c3)CC2)CC1 ZINC000576358804 844312923 /nfs/dbraw/zinc/31/29/23/844312923.db2.gz ACHIWQMBAKFYRT-UHFFFAOYSA-N 2 1 391.987 3.503 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C)cc2-c2ccnn2C)CC1 ZINC000549802548 844305873 /nfs/dbraw/zinc/30/58/73/844305873.db2.gz SFBPSQHHCPDLLV-UHFFFAOYSA-N 2 1 398.595 3.966 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000415898938 838252768 /nfs/dbraw/zinc/25/27/68/838252768.db2.gz IFWULMTWXQLZOM-NRFANRHFSA-N 2 1 380.536 3.828 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000659319240 838278065 /nfs/dbraw/zinc/27/80/65/838278065.db2.gz LLUOWCCTWUDHIO-KKLQWCBXSA-N 2 1 377.532 3.638 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000415945912 838299298 /nfs/dbraw/zinc/29/92/98/838299298.db2.gz SBFZHEOLQXIIKH-UHFFFAOYSA-N 2 1 396.535 3.545 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415960513 838319455 /nfs/dbraw/zinc/31/94/55/838319455.db2.gz PUFGQTVNXADPCH-IAGOWNOFSA-N 2 1 396.510 3.598 20 0 GHADMP C[NH2+][C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cccc(Cl)c1Cl ZINC000659366039 838320596 /nfs/dbraw/zinc/32/05/96/838320596.db2.gz ZXINALQKUAUSIE-SJLPKXTDSA-N 2 1 394.302 3.554 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415961033 838331099 /nfs/dbraw/zinc/33/10/99/838331099.db2.gz QLVBYRFUDVDLAL-CQSZACIVSA-N 2 1 386.462 3.654 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000415974868 838352018 /nfs/dbraw/zinc/35/20/18/838352018.db2.gz RVYCFIIQRVLRIZ-AVRDEDQJSA-N 2 1 380.536 3.923 20 0 GHADMP C[NH+](C)C1(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000535701560 844326065 /nfs/dbraw/zinc/32/60/65/844326065.db2.gz PNBNPBGYMUTQEC-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@H+](CCN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1)Cc1ccccc1 ZINC001167337421 838506702 /nfs/dbraw/zinc/50/67/02/838506702.db2.gz RLLSPIFACSZLGP-UHFFFAOYSA-N 2 1 389.490 3.538 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1)Cc1ccccc1 ZINC001167337421 838506710 /nfs/dbraw/zinc/50/67/10/838506710.db2.gz RLLSPIFACSZLGP-UHFFFAOYSA-N 2 1 389.490 3.538 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275732252 838599268 /nfs/dbraw/zinc/59/92/68/838599268.db2.gz XOJRNWWHWMTKFB-DENIHFKCSA-N 2 1 394.563 3.823 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000589993868 838628856 /nfs/dbraw/zinc/62/88/56/838628856.db2.gz XRFARHFJTLJQKG-UHFFFAOYSA-N 2 1 377.548 3.762 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000589993868 838628860 /nfs/dbraw/zinc/62/88/60/838628860.db2.gz XRFARHFJTLJQKG-UHFFFAOYSA-N 2 1 377.548 3.762 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974123 839025128 /nfs/dbraw/zinc/02/51/28/839025128.db2.gz YMBANQQBUZAJHU-YADHBBJMSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974123 839025139 /nfs/dbraw/zinc/02/51/39/839025139.db2.gz YMBANQQBUZAJHU-YADHBBJMSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974123 839025148 /nfs/dbraw/zinc/02/51/48/839025148.db2.gz YMBANQQBUZAJHU-YADHBBJMSA-N 2 1 385.596 3.725 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OCc1cccnc1 ZINC000415054160 839131802 /nfs/dbraw/zinc/13/18/02/839131802.db2.gz PLVJPPINTAOWNH-RTWAWAEBSA-N 2 1 381.520 3.633 20 0 GHADMP [NH3+]C[C@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CCCC1 ZINC000415065893 839145231 /nfs/dbraw/zinc/14/52/31/839145231.db2.gz NXPCVFUTELVDKQ-IBGZPJMESA-N 2 1 380.374 3.521 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)CCCO1 ZINC000415101815 839207353 /nfs/dbraw/zinc/20/73/53/839207353.db2.gz CUIPCBUFMLYHMJ-OAHLLOKOSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)CCCO1 ZINC000415101815 839207367 /nfs/dbraw/zinc/20/73/67/839207367.db2.gz CUIPCBUFMLYHMJ-OAHLLOKOSA-N 2 1 381.339 3.727 20 0 GHADMP COC(=O)COc1c(C)cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000183101810 839224697 /nfs/dbraw/zinc/22/46/97/839224697.db2.gz TWEVJSWQBKVSPL-ICSRJNTNSA-N 2 1 388.552 3.598 20 0 GHADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000622751917 839422458 /nfs/dbraw/zinc/42/24/58/839422458.db2.gz PIQZZIGGZQVTFB-PZJWPPBQSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000622751917 839422465 /nfs/dbraw/zinc/42/24/65/839422465.db2.gz PIQZZIGGZQVTFB-PZJWPPBQSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000622751917 839422471 /nfs/dbraw/zinc/42/24/71/839422471.db2.gz PIQZZIGGZQVTFB-PZJWPPBQSA-N 2 1 387.543 3.561 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000580460851 839593582 /nfs/dbraw/zinc/59/35/82/839593582.db2.gz KBAZXGOUFLSEDZ-HJOGWXRNSA-N 2 1 385.596 3.520 20 0 GHADMP CN1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000580460851 839593593 /nfs/dbraw/zinc/59/35/93/839593593.db2.gz KBAZXGOUFLSEDZ-HJOGWXRNSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000160521864 839689493 /nfs/dbraw/zinc/68/94/93/839689493.db2.gz GKLMKGQRBWIYHI-OALUTQOASA-N 2 1 397.604 3.645 20 0 GHADMP CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000415407616 839733843 /nfs/dbraw/zinc/73/38/43/839733843.db2.gz QANZEYWQMPAJOE-NHCUHLMSSA-N 2 1 390.572 3.571 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530792 839778479 /nfs/dbraw/zinc/77/84/79/839778479.db2.gz OXHGRCLBZOHIIY-GOTSBHOMSA-N 2 1 382.548 3.545 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000644574075 839822925 /nfs/dbraw/zinc/82/29/25/839822925.db2.gz SBLCJWFAYOPJPY-DRSNIGMVSA-N 2 1 399.560 3.642 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000644574075 839822936 /nfs/dbraw/zinc/82/29/36/839822936.db2.gz SBLCJWFAYOPJPY-DRSNIGMVSA-N 2 1 399.560 3.642 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)s2)cc1C ZINC000656255766 839853289 /nfs/dbraw/zinc/85/32/89/839853289.db2.gz OYHWUOKMWJUDPN-SIKLNZKXSA-N 2 1 398.620 3.885 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)s2)cc1C ZINC000656255766 839853295 /nfs/dbraw/zinc/85/32/95/839853295.db2.gz OYHWUOKMWJUDPN-SIKLNZKXSA-N 2 1 398.620 3.885 20 0 GHADMP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000328632662 840002783 /nfs/dbraw/zinc/00/27/83/840002783.db2.gz LMSDBUBSAYSISW-DQMRONCHSA-N 2 1 387.572 3.696 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000539547527 840068832 /nfs/dbraw/zinc/06/88/32/840068832.db2.gz DNKGFERTWOIBBW-UHFFFAOYSA-N 2 1 378.339 3.924 20 0 GHADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccccc1Br)CC1CCCC1 ZINC000580773397 840161349 /nfs/dbraw/zinc/16/13/49/840161349.db2.gz AWCHZOAQQLMZID-UHFFFAOYSA-N 2 1 382.346 3.619 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000580797019 840192222 /nfs/dbraw/zinc/19/22/22/840192222.db2.gz NPOQVFUKDIUMBP-HYBUGGRVSA-N 2 1 382.548 3.850 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1Cl ZINC000416861805 840229757 /nfs/dbraw/zinc/22/97/57/840229757.db2.gz XGUHSRKPVZGYNY-UXHICEINSA-N 2 1 388.943 3.722 20 0 GHADMP CC[C@@H]1CN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000418499159 840334908 /nfs/dbraw/zinc/33/49/08/840334908.db2.gz XXOHFHQISVSDEV-PGRDOPGGSA-N 2 1 380.536 3.512 20 0 GHADMP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000660435006 840358723 /nfs/dbraw/zinc/35/87/23/840358723.db2.gz IVMFUEBHAWRCCE-HXUWFJFHSA-N 2 1 396.560 3.902 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742346 840488558 /nfs/dbraw/zinc/48/85/58/840488558.db2.gz USHCUGCOJOJBAJ-OAHLLOKOSA-N 2 1 379.342 3.889 20 0 GHADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799136 844552185 /nfs/dbraw/zinc/55/21/85/844552185.db2.gz UATMBIMWUDSWRS-DYVFJYSZSA-N 2 1 384.305 3.816 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000581126700 840742612 /nfs/dbraw/zinc/74/26/12/840742612.db2.gz BBKRIXJRSHEBRP-NMVJMZGASA-N 2 1 396.575 3.783 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000187707103 840755914 /nfs/dbraw/zinc/75/59/14/840755914.db2.gz VAOIFTOOODYCAP-GOSISDBHSA-N 2 1 378.582 3.739 20 0 GHADMP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000070870123 840822266 /nfs/dbraw/zinc/82/22/66/840822266.db2.gz SXXNIFAKJWZTJY-GOSISDBHSA-N 2 1 393.531 3.992 20 0 GHADMP COC1CC[NH+](C2(CN[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCCC2)CC1 ZINC000548155798 840881407 /nfs/dbraw/zinc/88/14/07/840881407.db2.gz DDAXUNABAUHZIT-JTHBVZDNSA-N 2 1 399.623 3.910 20 0 GHADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000430546646 840998883 /nfs/dbraw/zinc/99/88/83/840998883.db2.gz SJFJZZCQASXDLU-QHCPKHFHSA-N 2 1 397.588 3.808 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000660707108 841122196 /nfs/dbraw/zinc/12/21/96/841122196.db2.gz CCIFXKXJFNTQIC-INIZCTEOSA-N 2 1 377.964 3.625 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000177491505 861193400 /nfs/dbraw/zinc/19/34/00/861193400.db2.gz TZNLDEBDHMWUIJ-NHCUHLMSSA-N 2 1 396.579 3.643 20 0 GHADMP [NH3+]CC1(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCCC1 ZINC000662714380 841460754 /nfs/dbraw/zinc/46/07/54/841460754.db2.gz HLJVYNDHBJVRBZ-OAQYLSRUSA-N 2 1 383.580 3.704 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000500129477 841496041 /nfs/dbraw/zinc/49/60/41/841496041.db2.gz NVHZDMLDLPVFDR-HSZRJFAPSA-N 2 1 394.563 3.727 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000500129477 841496042 /nfs/dbraw/zinc/49/60/42/841496042.db2.gz NVHZDMLDLPVFDR-HSZRJFAPSA-N 2 1 394.563 3.727 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCCC1)c1ccccc1 ZINC000662730390 841508935 /nfs/dbraw/zinc/50/89/35/841508935.db2.gz YLTXUPPXPNZEEU-YWZLYKJASA-N 2 1 387.474 3.744 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000581488990 841535266 /nfs/dbraw/zinc/53/52/66/841535266.db2.gz ITWPJYBAJGMGMQ-SFTDATJTSA-N 2 1 387.531 3.756 20 0 GHADMP C[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728095 861223589 /nfs/dbraw/zinc/22/35/89/861223589.db2.gz FZHPJRUOZOFWKA-UXHICEINSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728095 861223602 /nfs/dbraw/zinc/22/36/02/861223602.db2.gz FZHPJRUOZOFWKA-UXHICEINSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728095 861223617 /nfs/dbraw/zinc/22/36/17/861223617.db2.gz FZHPJRUOZOFWKA-UXHICEINSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728041 861224373 /nfs/dbraw/zinc/22/43/73/861224373.db2.gz FZHPJRUOZOFWKA-VQTJNVASSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728041 861224390 /nfs/dbraw/zinc/22/43/90/861224390.db2.gz FZHPJRUOZOFWKA-VQTJNVASSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728041 861224401 /nfs/dbraw/zinc/22/44/01/861224401.db2.gz FZHPJRUOZOFWKA-VQTJNVASSA-N 2 1 398.595 3.858 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555552634 861225839 /nfs/dbraw/zinc/22/58/39/861225839.db2.gz GOBQAALSUQHPSP-SFHVURJKSA-N 2 1 395.385 3.785 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555552633 861225999 /nfs/dbraw/zinc/22/59/99/861225999.db2.gz GOBQAALSUQHPSP-GOSISDBHSA-N 2 1 395.385 3.785 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000625674724 841894628 /nfs/dbraw/zinc/89/46/28/841894628.db2.gz BUEPBZRJMMHCFG-WDJPJFJCSA-N 2 1 391.559 3.674 20 0 GHADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000581660984 841930760 /nfs/dbraw/zinc/93/07/60/841930760.db2.gz SISHRRKQRYCJSL-YRFMLNNJSA-N 2 1 383.580 3.559 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2-c2ccccn2)cc1 ZINC000647171646 841950968 /nfs/dbraw/zinc/95/09/68/841950968.db2.gz QXYWMDRZRCPFBU-IBGZPJMESA-N 2 1 375.520 3.932 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000303472740 842000518 /nfs/dbraw/zinc/00/05/18/842000518.db2.gz OCDSIEMGLJRQMZ-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000303472740 842000529 /nfs/dbraw/zinc/00/05/29/842000529.db2.gz OCDSIEMGLJRQMZ-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000303472740 842000541 /nfs/dbraw/zinc/00/05/41/842000541.db2.gz OCDSIEMGLJRQMZ-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000303472740 842000550 /nfs/dbraw/zinc/00/05/50/842000550.db2.gz OCDSIEMGLJRQMZ-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000303472740 842000562 /nfs/dbraw/zinc/00/05/62/842000562.db2.gz OCDSIEMGLJRQMZ-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001167825698 842048728 /nfs/dbraw/zinc/04/87/28/842048728.db2.gz KWHWBEBQXVZCIN-TUNNFDKTSA-N 2 1 375.557 3.594 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000652189135 842067102 /nfs/dbraw/zinc/06/71/02/842067102.db2.gz DLVOEJOTSOTTTJ-JOCHJYFZSA-N 2 1 394.563 3.506 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000569348876 842141232 /nfs/dbraw/zinc/14/12/32/842141232.db2.gz LYXCFLWDJXJFLW-PGRDOPGGSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000569348876 842141237 /nfs/dbraw/zinc/14/12/37/842141237.db2.gz LYXCFLWDJXJFLW-PGRDOPGGSA-N 2 1 383.511 3.588 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000652334925 842269594 /nfs/dbraw/zinc/26/95/94/842269594.db2.gz UEIDGWSXMPCNAF-YJRNTSOCSA-N 2 1 391.559 3.796 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000581839290 842271756 /nfs/dbraw/zinc/27/17/56/842271756.db2.gz YUHNGOIPVBLNTK-QMMLZNLJSA-N 2 1 378.582 3.506 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000432414291 842423234 /nfs/dbraw/zinc/42/32/34/842423234.db2.gz KKRKNXLBLRONGM-PMACEKPBSA-N 2 1 384.568 3.949 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000432414291 842423244 /nfs/dbraw/zinc/42/32/44/842423244.db2.gz KKRKNXLBLRONGM-PMACEKPBSA-N 2 1 384.568 3.949 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000512099369 842485941 /nfs/dbraw/zinc/48/59/41/842485941.db2.gz MUDUMZMTBZGIFH-ROUUACIJSA-N 2 1 386.609 3.972 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000279068557 842550755 /nfs/dbraw/zinc/55/07/55/842550755.db2.gz ZWKDWWHGOOLXAW-SCTDSRPQSA-N 2 1 387.499 3.883 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000157925445 842738185 /nfs/dbraw/zinc/73/81/85/842738185.db2.gz NNKFFENNFFTSDE-HXUWFJFHSA-N 2 1 375.576 3.934 20 0 GHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000157925445 842738190 /nfs/dbraw/zinc/73/81/90/842738190.db2.gz NNKFFENNFFTSDE-HXUWFJFHSA-N 3 1 375.576 3.934 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000157925445 842738195 /nfs/dbraw/zinc/73/81/95/842738195.db2.gz NNKFFENNFFTSDE-HXUWFJFHSA-N 3 1 375.576 3.934 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000512176526 842759287 /nfs/dbraw/zinc/75/92/87/842759287.db2.gz ALOPVQQDEIUNDJ-GOSISDBHSA-N 2 1 396.535 3.749 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000512176526 842759294 /nfs/dbraw/zinc/75/92/94/842759294.db2.gz ALOPVQQDEIUNDJ-GOSISDBHSA-N 2 1 396.535 3.749 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000606686108 842927962 /nfs/dbraw/zinc/92/79/62/842927962.db2.gz SOSNBCVBCCTBEZ-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000606686108 842927965 /nfs/dbraw/zinc/92/79/65/842927965.db2.gz SOSNBCVBCCTBEZ-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000606686108 842927979 /nfs/dbraw/zinc/92/79/79/842927979.db2.gz SOSNBCVBCCTBEZ-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510544817 842939210 /nfs/dbraw/zinc/93/92/10/842939210.db2.gz JMCJKEPQWQTKBQ-BLKABHOGSA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544817 842939215 /nfs/dbraw/zinc/93/92/15/842939215.db2.gz JMCJKEPQWQTKBQ-BLKABHOGSA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544817 842939219 /nfs/dbraw/zinc/93/92/19/842939219.db2.gz JMCJKEPQWQTKBQ-BLKABHOGSA-N 2 1 398.595 3.774 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)[NH+](C)C ZINC000510556342 842957640 /nfs/dbraw/zinc/95/76/40/842957640.db2.gz XPUZDWPXZMDWCM-FVJLSDCUSA-N 2 1 382.552 3.754 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000471862657 842978670 /nfs/dbraw/zinc/97/86/70/842978670.db2.gz LTIXPRPQNVIDAX-RTBURBONSA-N 2 1 382.533 3.970 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000471862657 842978675 /nfs/dbraw/zinc/97/86/75/842978675.db2.gz LTIXPRPQNVIDAX-RTBURBONSA-N 2 1 382.533 3.970 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662291045 843080737 /nfs/dbraw/zinc/08/07/37/843080737.db2.gz NNWUBLMRSVKISQ-FUHWJXTLSA-N 2 1 377.960 3.995 20 0 GHADMP COc1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000512213839 843108586 /nfs/dbraw/zinc/10/85/86/843108586.db2.gz UHHZLNIFVVZEQT-QZTJIDSGSA-N 2 1 376.541 3.799 20 0 GHADMP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662316530 843143168 /nfs/dbraw/zinc/14/31/68/843143168.db2.gz WRXQOCBTYYFJEY-STZQEDGTSA-N 2 1 387.568 3.588 20 0 GHADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430913133 843171824 /nfs/dbraw/zinc/17/18/24/843171824.db2.gz RVSBMIXRIMKWDV-OFNKIYASSA-N 2 1 379.633 3.710 20 0 GHADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913133 843171833 /nfs/dbraw/zinc/17/18/33/843171833.db2.gz RVSBMIXRIMKWDV-OFNKIYASSA-N 3 1 379.633 3.710 20 0 GHADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913133 843171843 /nfs/dbraw/zinc/17/18/43/843171843.db2.gz RVSBMIXRIMKWDV-OFNKIYASSA-N 3 1 379.633 3.710 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000548408070 843255502 /nfs/dbraw/zinc/25/55/02/843255502.db2.gz GJDZAHQNMORIBA-OAQYLSRUSA-N 2 1 385.939 3.969 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662467454 843295309 /nfs/dbraw/zinc/29/53/09/843295309.db2.gz BBQRUFKTQWRYRI-VQIMIIECSA-N 2 1 383.561 3.519 20 0 GHADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503692 843349883 /nfs/dbraw/zinc/34/98/83/843349883.db2.gz VPSCETPHEYKMIR-QUCCMNQESA-N 2 1 395.572 3.521 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662591432 843425636 /nfs/dbraw/zinc/42/56/36/843425636.db2.gz SUXKXJJNYNVIIY-SFTDATJTSA-N 2 1 398.595 3.731 20 0 GHADMP CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418659459 843509297 /nfs/dbraw/zinc/50/92/97/843509297.db2.gz LYJGCBSVTBKZKV-GOTSBHOMSA-N 2 1 394.563 3.773 20 0 GHADMP CCN(C(=O)c1cccc2c1CC[NH2+]C2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662694526 843524152 /nfs/dbraw/zinc/52/41/52/843524152.db2.gz RRSNCXKBKGLELZ-WIYYLYMNSA-N 2 1 377.532 3.630 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431062719 843524922 /nfs/dbraw/zinc/52/49/22/843524922.db2.gz SQIZMTKGTKWPOJ-XMSQKQJNSA-N 2 1 390.531 3.555 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500568736 843652366 /nfs/dbraw/zinc/65/23/66/843652366.db2.gz KUVHYSAEZWBHFB-YXPKMTABSA-N 2 1 398.595 3.555 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccncc1Br ZINC000625287987 861448516 /nfs/dbraw/zinc/44/85/16/861448516.db2.gz YAMYVOAIWPDAPO-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccncc1Br ZINC000625287987 861448522 /nfs/dbraw/zinc/44/85/22/861448522.db2.gz YAMYVOAIWPDAPO-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000663469969 843678530 /nfs/dbraw/zinc/67/85/30/843678530.db2.gz SFIIGAXCXPTPPD-AZUAARDMSA-N 2 1 382.552 3.772 20 0 GHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253623 843728623 /nfs/dbraw/zinc/72/86/23/843728623.db2.gz NCGKPDHVMDEUFG-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253623 843728632 /nfs/dbraw/zinc/72/86/32/843728632.db2.gz NCGKPDHVMDEUFG-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP C[NH+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253623 843728638 /nfs/dbraw/zinc/72/86/38/843728638.db2.gz NCGKPDHVMDEUFG-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP C[NH+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253623 843728653 /nfs/dbraw/zinc/72/86/53/843728653.db2.gz NCGKPDHVMDEUFG-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001167822609 843732403 /nfs/dbraw/zinc/73/24/03/843732403.db2.gz IVSZEIQYTKKVHR-SFTDATJTSA-N 3 1 391.600 3.845 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@H](N(C)Cc3ccco3)CO2)CC1 ZINC001167822609 843732409 /nfs/dbraw/zinc/73/24/09/843732409.db2.gz IVSZEIQYTKKVHR-SFTDATJTSA-N 2 1 391.600 3.845 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510899715 843763079 /nfs/dbraw/zinc/76/30/79/843763079.db2.gz QIZCMQBNEWCHDU-KDURUIRLSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510899715 843763086 /nfs/dbraw/zinc/76/30/86/843763086.db2.gz QIZCMQBNEWCHDU-KDURUIRLSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1cccc2c1C[N@@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000429579792 843793656 /nfs/dbraw/zinc/79/36/56/843793656.db2.gz RVLZCOWPEDFVCD-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000512831165 843826472 /nfs/dbraw/zinc/82/64/72/843826472.db2.gz BERGLXULQQAPTR-UHFFFAOYSA-N 2 1 376.495 3.979 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CCSc4ccccc4)CC3)C2)cc1 ZINC000512467364 843909910 /nfs/dbraw/zinc/90/99/10/843909910.db2.gz BTSXRILJZZTRIS-QFIPXVFZSA-N 2 1 381.589 3.671 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCSc4ccccc4)CC3)C2)cc1 ZINC000512467364 843909915 /nfs/dbraw/zinc/90/99/15/843909915.db2.gz BTSXRILJZZTRIS-QFIPXVFZSA-N 2 1 381.589 3.671 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433303776 843992080 /nfs/dbraw/zinc/99/20/80/843992080.db2.gz MCJTXKIEDILFJK-MRXNPFEDSA-N 2 1 397.498 3.802 20 0 GHADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000512624208 844817735 /nfs/dbraw/zinc/81/77/35/844817735.db2.gz ICEKSZASGGVYNB-GSPCLOLRSA-N 2 1 378.564 3.959 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512637505 844849582 /nfs/dbraw/zinc/84/95/82/844849582.db2.gz WLZNHJWNJWDNOW-RBZQAINGSA-N 2 1 391.559 3.827 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000179268371 861515348 /nfs/dbraw/zinc/51/53/48/861515348.db2.gz GYKUUBPMPNRVKE-PKTZIBPZSA-N 2 1 392.547 3.527 20 0 GHADMP Oc1cc(F)cc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549867938 844957069 /nfs/dbraw/zinc/95/70/69/844957069.db2.gz ITZCTICSZWGRKS-HXUWFJFHSA-N 2 1 384.495 3.550 20 0 GHADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549867938 844957077 /nfs/dbraw/zinc/95/70/77/844957077.db2.gz ITZCTICSZWGRKS-HXUWFJFHSA-N 2 1 384.495 3.550 20 0 GHADMP Oc1cc(F)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549867938 844957084 /nfs/dbraw/zinc/95/70/84/844957084.db2.gz ITZCTICSZWGRKS-HXUWFJFHSA-N 2 1 384.495 3.550 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513212856 845055827 /nfs/dbraw/zinc/05/58/27/845055827.db2.gz RCXZNWPJQVJVAV-RDJZCZTQSA-N 2 1 393.457 3.550 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000513212856 845055833 /nfs/dbraw/zinc/05/58/33/845055833.db2.gz RCXZNWPJQVJVAV-RDJZCZTQSA-N 2 1 393.457 3.550 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(OC4CCOCC4)c3)CC2)C1 ZINC000513214540 845059865 /nfs/dbraw/zinc/05/98/65/845059865.db2.gz YTNHEMLQOHJDPV-WIYYLYMNSA-N 2 1 387.568 3.772 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261647707 845059988 /nfs/dbraw/zinc/05/99/88/845059988.db2.gz HAMARZDLGQOWRJ-QHCPKHFHSA-N 2 1 376.504 3.719 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713206 845151727 /nfs/dbraw/zinc/15/17/27/845151727.db2.gz XWJCNHQVVDLIQN-JBPLPALLSA-N 2 1 392.632 3.839 20 0 GHADMP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391451 861561527 /nfs/dbraw/zinc/56/15/27/861561527.db2.gz CHDCBLYCJURUQH-HXUWFJFHSA-N 2 1 394.563 3.633 20 0 GHADMP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513430635 845425090 /nfs/dbraw/zinc/42/50/90/845425090.db2.gz XISGHXPHCMKURP-NRFANRHFSA-N 2 1 388.552 3.717 20 0 GHADMP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513430635 845425096 /nfs/dbraw/zinc/42/50/96/845425096.db2.gz XISGHXPHCMKURP-NRFANRHFSA-N 2 1 388.552 3.717 20 0 GHADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124602 845457345 /nfs/dbraw/zinc/45/73/45/845457345.db2.gz DSQSXPXOORHMGS-OYRHEFFESA-N 2 1 383.580 3.764 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134273 845510310 /nfs/dbraw/zinc/51/03/10/845510310.db2.gz QCONVQAPPDQBDW-FQEVSTJZSA-N 2 1 381.568 3.562 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134273 845510318 /nfs/dbraw/zinc/51/03/18/845510318.db2.gz QCONVQAPPDQBDW-FQEVSTJZSA-N 2 1 381.568 3.562 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134273 845510325 /nfs/dbraw/zinc/51/03/25/845510325.db2.gz QCONVQAPPDQBDW-FQEVSTJZSA-N 2 1 381.568 3.562 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093134273 845510330 /nfs/dbraw/zinc/51/03/30/845510330.db2.gz QCONVQAPPDQBDW-FQEVSTJZSA-N 2 1 381.568 3.562 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C2)CC1 ZINC000093133312 845518992 /nfs/dbraw/zinc/51/89/92/845518992.db2.gz OSPCGTUFXITUGG-HSZRJFAPSA-N 2 1 397.538 3.617 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373262 845656062 /nfs/dbraw/zinc/65/60/62/845656062.db2.gz OPFCBRHPDFQBPP-FXAWDEMLSA-N 2 1 389.337 3.594 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433957855 845667570 /nfs/dbraw/zinc/66/75/70/845667570.db2.gz LEBUUKNAJZGOPV-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000472080453 845731277 /nfs/dbraw/zinc/73/12/77/845731277.db2.gz PAURRHFQDGHYLR-UHOSZYNNSA-N 2 1 399.501 3.791 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1F ZINC001167507809 845754274 /nfs/dbraw/zinc/75/42/74/845754274.db2.gz BAXRFVQWYXDYHI-LJQANCHMSA-N 2 1 392.563 3.805 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC001167507809 845754285 /nfs/dbraw/zinc/75/42/85/845754285.db2.gz BAXRFVQWYXDYHI-LJQANCHMSA-N 2 1 392.563 3.805 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC001167507809 845754290 /nfs/dbraw/zinc/75/42/90/845754290.db2.gz BAXRFVQWYXDYHI-LJQANCHMSA-N 2 1 392.563 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179515307 861612978 /nfs/dbraw/zinc/61/29/78/861612978.db2.gz BYCPBHVJQFNHLM-IRXDYDNUSA-N 2 1 387.487 3.630 20 0 GHADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000431332686 846024184 /nfs/dbraw/zinc/02/41/84/846024184.db2.gz KXVNCKRDGJPSQL-NRFANRHFSA-N 2 1 387.568 3.556 20 0 GHADMP COCCCC1(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCC1 ZINC000892149371 846063799 /nfs/dbraw/zinc/06/37/99/846063799.db2.gz CHWFOGUSGGDZNA-UHFFFAOYSA-N 2 1 379.633 3.711 20 0 GHADMP COCCCC1(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000892149371 846063804 /nfs/dbraw/zinc/06/38/04/846063804.db2.gz CHWFOGUSGGDZNA-UHFFFAOYSA-N 3 1 379.633 3.711 20 0 GHADMP COCCCC1(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000892149371 846063810 /nfs/dbraw/zinc/06/38/10/846063810.db2.gz CHWFOGUSGGDZNA-UHFFFAOYSA-N 3 1 379.633 3.711 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccco1 ZINC000582029620 846096727 /nfs/dbraw/zinc/09/67/27/846096727.db2.gz DECNLKZZNPHUCP-UHFFFAOYSA-N 2 1 398.595 3.764 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000582057993 846184846 /nfs/dbraw/zinc/18/48/46/846184846.db2.gz LUSDMGQOKCJPND-WMZHIEFXSA-N 2 1 382.548 3.804 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000513647194 846212411 /nfs/dbraw/zinc/21/24/11/846212411.db2.gz FQGCQHPFWDEYPA-OAHLLOKOSA-N 2 1 376.495 3.979 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC(=O)c2cccc(F)c2)CC1 ZINC000513661376 846227284 /nfs/dbraw/zinc/22/72/84/846227284.db2.gz ONLMGDJRUCLDNO-UHFFFAOYSA-N 2 1 397.538 3.978 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC000657335718 846328158 /nfs/dbraw/zinc/32/81/58/846328158.db2.gz UGJBASNTSDOSBX-ISKFKSNPSA-N 2 1 380.532 3.856 20 0 GHADMP C[N@H+](Cc1ccc(Br)c(Br)c1)CC1CC[NH+](C)CC1 ZINC000513750891 846351760 /nfs/dbraw/zinc/35/17/60/846351760.db2.gz QZXOCRFQHTWTFV-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[NH+](C)Cc2ccccc2)cc1 ZINC000108064463 846441358 /nfs/dbraw/zinc/44/13/58/846441358.db2.gz UFXYWCAKKVALOP-HXUWFJFHSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[NH+](C)Cc2ccccc2)cc1 ZINC000108064463 846441365 /nfs/dbraw/zinc/44/13/65/846441365.db2.gz UFXYWCAKKVALOP-HXUWFJFHSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000108064463 846441375 /nfs/dbraw/zinc/44/13/75/846441375.db2.gz UFXYWCAKKVALOP-HXUWFJFHSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000108064463 846441378 /nfs/dbraw/zinc/44/13/78/846441378.db2.gz UFXYWCAKKVALOP-HXUWFJFHSA-N 2 1 379.548 3.809 20 0 GHADMP CCc1oc2ccccc2c1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000513708773 846719042 /nfs/dbraw/zinc/71/90/42/846719042.db2.gz XEDPDNHLXNQDIZ-UHFFFAOYSA-N 2 1 397.563 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000657389188 846819019 /nfs/dbraw/zinc/81/90/19/846819019.db2.gz SVJZJKLKMQPQLM-UCFCWBNQSA-N 2 1 380.532 3.997 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)N1CCOCC1 ZINC000582368923 846969371 /nfs/dbraw/zinc/96/93/71/846969371.db2.gz VUPBFGTVECJQFU-DENIHFKCSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000582368923 846969380 /nfs/dbraw/zinc/96/93/80/846969380.db2.gz VUPBFGTVECJQFU-DENIHFKCSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000582368923 846969395 /nfs/dbraw/zinc/96/93/95/846969395.db2.gz VUPBFGTVECJQFU-DENIHFKCSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000501556119 847018113 /nfs/dbraw/zinc/01/81/13/847018113.db2.gz ZZKUJZHJNBONQS-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272222073 847019981 /nfs/dbraw/zinc/01/99/81/847019981.db2.gz CFLMPZNZLMMFID-JOCHJYFZSA-N 2 1 397.544 3.673 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000501574954 847032590 /nfs/dbraw/zinc/03/25/90/847032590.db2.gz JVKRMWOLZFWYPJ-PMACEKPBSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552331 847108573 /nfs/dbraw/zinc/10/85/73/847108573.db2.gz FLSTVNIQQDATOQ-HYBUGGRVSA-N 2 1 391.559 3.809 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000420368943 847144138 /nfs/dbraw/zinc/14/41/38/847144138.db2.gz XBJAMIWGOJAHRV-RTBURBONSA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000420368943 847144144 /nfs/dbraw/zinc/14/41/44/847144144.db2.gz XBJAMIWGOJAHRV-RTBURBONSA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000420368943 847144154 /nfs/dbraw/zinc/14/41/54/847144154.db2.gz XBJAMIWGOJAHRV-RTBURBONSA-N 2 1 378.520 3.802 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(c1ccccc1)c1ccccc1 ZINC000420407885 847171397 /nfs/dbraw/zinc/17/13/97/847171397.db2.gz VSQSACWPLSPGFY-PKTZIBPZSA-N 2 1 391.559 3.746 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000511123129 847212953 /nfs/dbraw/zinc/21/29/53/847212953.db2.gz PMZOPNSHJZNQOV-DEOSSOPVSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501831120 847226901 /nfs/dbraw/zinc/22/69/01/847226901.db2.gz XKUIGQHGZVATGB-IRLDBZIGSA-N 2 1 386.584 3.777 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050137799 847440099 /nfs/dbraw/zinc/44/00/99/847440099.db2.gz LURAPOCFOFSYJJ-SFHVURJKSA-N 2 1 392.613 3.572 20 0 GHADMP c1ccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC2CCOCC2)cc1 ZINC000420905428 847524155 /nfs/dbraw/zinc/52/41/55/847524155.db2.gz CYHPASMQOUWZGE-UHFFFAOYSA-N 2 1 394.559 3.948 20 0 GHADMP c1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC2CCOCC2)cc1 ZINC000420905428 847524162 /nfs/dbraw/zinc/52/41/62/847524162.db2.gz CYHPASMQOUWZGE-UHFFFAOYSA-N 2 1 394.559 3.948 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000481584407 861800952 /nfs/dbraw/zinc/80/09/52/861800952.db2.gz SQPZKYXJBNEMDV-KGVIQGDOSA-N 2 1 379.504 3.514 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000481584407 861800975 /nfs/dbraw/zinc/80/09/75/861800975.db2.gz SQPZKYXJBNEMDV-KGVIQGDOSA-N 2 1 379.504 3.514 20 0 GHADMP Clc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420925072 847545797 /nfs/dbraw/zinc/54/57/97/847545797.db2.gz VJHOBHGWPCWCEQ-FGZHOGPDSA-N 2 1 386.923 3.792 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000420973391 847600373 /nfs/dbraw/zinc/60/03/73/847600373.db2.gz CESPIPYGBIERQE-UHFFFAOYSA-N 2 1 399.501 3.620 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503335216 847600910 /nfs/dbraw/zinc/60/09/10/847600910.db2.gz IPRPFCHPJWTILJ-PBEJRMEISA-N 2 1 395.950 3.995 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503335216 847600917 /nfs/dbraw/zinc/60/09/17/847600917.db2.gz IPRPFCHPJWTILJ-PBEJRMEISA-N 2 1 395.950 3.995 20 0 GHADMP CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503335216 847600922 /nfs/dbraw/zinc/60/09/22/847600922.db2.gz IPRPFCHPJWTILJ-PBEJRMEISA-N 2 1 395.950 3.995 20 0 GHADMP CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503335216 847600926 /nfs/dbraw/zinc/60/09/26/847600926.db2.gz IPRPFCHPJWTILJ-PBEJRMEISA-N 2 1 395.950 3.995 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000502265465 847650205 /nfs/dbraw/zinc/65/02/05/847650205.db2.gz BRPQLFLDVQPGLS-BIHRQFPBSA-N 2 1 379.548 3.580 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000502265465 847650211 /nfs/dbraw/zinc/65/02/11/847650211.db2.gz BRPQLFLDVQPGLS-BIHRQFPBSA-N 2 1 379.548 3.580 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422726305 847799533 /nfs/dbraw/zinc/79/95/33/847799533.db2.gz DLLBXCOKMVCISD-LWYYNNOASA-N 2 1 381.486 3.790 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000422726305 847799541 /nfs/dbraw/zinc/79/95/41/847799541.db2.gz DLLBXCOKMVCISD-LWYYNNOASA-N 2 1 381.486 3.790 20 0 GHADMP CCC(CC)[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+](C)C ZINC000133113729 847812780 /nfs/dbraw/zinc/81/27/80/847812780.db2.gz WZJUHXVKSMXLTE-FQEVSTJZSA-N 2 1 379.976 3.901 20 0 GHADMP N[C@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000422821060 847839689 /nfs/dbraw/zinc/83/96/89/847839689.db2.gz UGZOWKGQIOPZEH-BJKOFHAPSA-N 2 1 379.548 3.792 20 0 GHADMP [NH3+][C@H]1C[C@@H](NCCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000422821060 847839698 /nfs/dbraw/zinc/83/96/98/847839698.db2.gz UGZOWKGQIOPZEH-BJKOFHAPSA-N 2 1 379.548 3.792 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548745786 847841982 /nfs/dbraw/zinc/84/19/82/847841982.db2.gz JFPPVUYTRKRYJE-UHFFFAOYSA-N 2 1 379.548 3.923 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C2)CC1 ZINC000582632939 847875565 /nfs/dbraw/zinc/87/55/65/847875565.db2.gz FWSUFMCVNOVQJK-OAHLLOKOSA-N 2 1 394.350 3.738 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000582714792 848122887 /nfs/dbraw/zinc/12/28/87/848122887.db2.gz IUTQPCPIRFSHRA-ZAAXVRCTSA-N 2 1 386.565 3.650 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(C(F)(F)F)c3)cc2)C1 ZINC000657594474 848283819 /nfs/dbraw/zinc/28/38/19/848283819.db2.gz APDHKDUOYIDSCH-QGZVFWFLSA-N 2 1 382.401 3.701 20 0 GHADMP Cc1cc(Br)ccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595309 848287196 /nfs/dbraw/zinc/28/71/96/848287196.db2.gz ONPMKQSJPIARRN-FQEVSTJZSA-N 2 1 389.337 3.614 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657598026 848301487 /nfs/dbraw/zinc/30/14/87/848301487.db2.gz XAUMKVGNOSJARD-YSPNNUNSSA-N 2 1 380.532 3.593 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657613899 848342840 /nfs/dbraw/zinc/34/28/40/848342840.db2.gz WDFVYTFSANLKOF-SQJMNOBHSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657613899 848342847 /nfs/dbraw/zinc/34/28/47/848342847.db2.gz WDFVYTFSANLKOF-SQJMNOBHSA-N 3 1 392.591 3.936 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000472269579 848533627 /nfs/dbraw/zinc/53/36/27/848533627.db2.gz WVKUXUUPUIDKHY-RTBURBONSA-N 2 1 375.557 3.570 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000472269579 848533632 /nfs/dbraw/zinc/53/36/32/848533632.db2.gz WVKUXUUPUIDKHY-RTBURBONSA-N 2 1 375.557 3.570 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000548776827 848587206 /nfs/dbraw/zinc/58/72/06/848587206.db2.gz GFJHQEOIGDWHMO-IBGZPJMESA-N 2 1 386.609 3.892 20 0 GHADMP C[C@H](O)[C@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1F ZINC000583089282 849043390 /nfs/dbraw/zinc/04/33/90/849043390.db2.gz NBNGUFLLSUDHSS-BUKVSMQUSA-N 2 1 384.495 3.825 20 0 GHADMP CC(=O)N1CCC2(C1)CC[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168046057 861998326 /nfs/dbraw/zinc/99/83/26/861998326.db2.gz LOUVKFDIAROJHF-JHDGKUDLSA-N 2 1 383.580 3.762 20 0 GHADMP [NH3+]CCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000583383561 849759319 /nfs/dbraw/zinc/75/93/19/849759319.db2.gz KNHGVKULOPKPNR-UHFFFAOYSA-N 2 1 391.968 3.842 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH2+]Cc3cccnc3)[C@H]3CCC[C@@H]32)cc1 ZINC000423180259 849788510 /nfs/dbraw/zinc/78/85/10/849788510.db2.gz AONXGRGLLQJAOX-SGNDLWITSA-N 2 1 378.564 3.594 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180374 849788673 /nfs/dbraw/zinc/78/86/73/849788673.db2.gz BBKAIZADHPNOEY-AWEZNQCLSA-N 2 1 380.305 3.684 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1Br ZINC000423205202 849805215 /nfs/dbraw/zinc/80/52/15/849805215.db2.gz DWFZQZBOVKYOKU-MNOVXSKESA-N 2 1 376.136 3.862 20 0 GHADMP C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423357396 849882623 /nfs/dbraw/zinc/88/26/23/849882623.db2.gz AIHJKLBVBDUECC-CTLLREPQSA-N 2 1 399.529 3.911 20 0 GHADMP CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccc(Cl)cc2)c1 ZINC000423389754 849896949 /nfs/dbraw/zinc/89/69/49/849896949.db2.gz OHGGWQAAKQOLAF-NLWGTHIKSA-N 2 1 392.952 3.692 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@@H]4CC[N@H+](C)C[C@H]43)c2cc1Br ZINC000425251658 849924640 /nfs/dbraw/zinc/92/46/40/849924640.db2.gz YDRXXYSIYVAAFY-YVEFUNNKSA-N 2 1 376.298 3.536 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2cc1Br ZINC000425251658 849924649 /nfs/dbraw/zinc/92/46/49/849924649.db2.gz YDRXXYSIYVAAFY-YVEFUNNKSA-N 2 1 376.298 3.536 20 0 GHADMP COc1cccc(C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)c1 ZINC000423499025 849943663 /nfs/dbraw/zinc/94/36/63/849943663.db2.gz ABYIXTTZXQFAPW-RVMZIBIISA-N 2 1 393.575 3.785 20 0 GHADMP FC(F)(F)Oc1cccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)c1 ZINC000423500415 849944318 /nfs/dbraw/zinc/94/43/18/849944318.db2.gz AFEIVHPMZJIWMW-AFMYVXGZSA-N 2 1 397.485 3.842 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423511661 849961384 /nfs/dbraw/zinc/96/13/84/849961384.db2.gz NVJPTVJECVDSRF-QLOJAFMTSA-N 2 1 377.960 3.668 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423514629 849963216 /nfs/dbraw/zinc/96/32/16/849963216.db2.gz UGMHVHFNXGHJKV-CTWPCTMYSA-N 2 1 392.385 3.551 20 0 GHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(SCC(F)F)cc1 ZINC000423526462 849968608 /nfs/dbraw/zinc/96/86/08/849968608.db2.gz ZJZYYSNWYGEOAB-ZLPCBKJTSA-N 2 1 383.552 3.911 20 0 GHADMP CC(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[C@H](C)[NH3+] ZINC000423742072 850040111 /nfs/dbraw/zinc/04/01/11/850040111.db2.gz IMUWNZNBPNEVNJ-KXBFYZLASA-N 2 1 399.501 3.748 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c1 ZINC000669714474 862103621 /nfs/dbraw/zinc/10/36/21/862103621.db2.gz IXCOFLQHPGPPEE-GOSISDBHSA-N 2 1 391.519 3.998 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(-c3ccco3)s2)[C@@H](c2ccccc2)C1 ZINC000486931433 850259780 /nfs/dbraw/zinc/25/97/80/850259780.db2.gz SSFAONUVKCQHPD-HXUWFJFHSA-N 2 1 396.560 3.872 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000514817219 850343484 /nfs/dbraw/zinc/34/34/84/850343484.db2.gz AKNLONUXRLPXAX-ZILOHOTNSA-N 2 1 380.532 3.618 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3CCN(c4cc[nH+]c5ccccc54)CC3)cnc21 ZINC000514843387 850357097 /nfs/dbraw/zinc/35/70/97/850357097.db2.gz KJFLETMVYPBNSC-UHFFFAOYSA-N 2 1 386.503 3.883 20 0 GHADMP COc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OCc1ccncc1 ZINC000424375046 850414690 /nfs/dbraw/zinc/41/46/90/850414690.db2.gz JBRVTMLGHZMHDK-SFHVURJKSA-N 2 1 381.520 3.633 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000435374634 850422255 /nfs/dbraw/zinc/42/22/55/850422255.db2.gz RKDWXFJVMLZSFN-UHFFFAOYSA-N 2 1 377.330 3.661 20 0 GHADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1OC ZINC000481723491 862131789 /nfs/dbraw/zinc/13/17/89/862131789.db2.gz DUOBJSUSNXLSHV-OAHLLOKOSA-N 2 1 376.472 3.634 20 0 GHADMP [NH3+]C1(CC(=O)N[C@H](c2cccs2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637898937 850476770 /nfs/dbraw/zinc/47/67/70/850476770.db2.gz HAHSKBBSOGZLCR-NRFANRHFSA-N 2 1 383.561 3.699 20 0 GHADMP CCn1ccnc1C[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426891 850507461 /nfs/dbraw/zinc/50/74/61/850507461.db2.gz JUJDFNFROKHNFJ-RXVVDRJESA-N 2 1 382.552 3.659 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487217545 850570531 /nfs/dbraw/zinc/57/05/31/850570531.db2.gz GUPZMWRNQAPUSR-TZIWHRDSSA-N 2 1 395.950 3.851 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487217545 850570534 /nfs/dbraw/zinc/57/05/34/850570534.db2.gz GUPZMWRNQAPUSR-TZIWHRDSSA-N 2 1 395.950 3.851 20 0 GHADMP [NH3+]C1(CC(=O)N(Cc2cccs2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000637917202 850613827 /nfs/dbraw/zinc/61/38/27/850613827.db2.gz XUTJKUGCUNWXOD-UHFFFAOYSA-N 2 1 383.561 3.623 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000439961133 850630914 /nfs/dbraw/zinc/63/09/14/850630914.db2.gz LQUFDKHWAZLRLR-IMFGXOCKSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000439961133 850630919 /nfs/dbraw/zinc/63/09/19/850630919.db2.gz LQUFDKHWAZLRLR-IMFGXOCKSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000439961133 850630926 /nfs/dbraw/zinc/63/09/26/850630926.db2.gz LQUFDKHWAZLRLR-IMFGXOCKSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000505141798 850644478 /nfs/dbraw/zinc/64/44/78/850644478.db2.gz NLORJONOKQJJGD-MSOLQXFVSA-N 2 1 385.474 3.689 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966142 850825975 /nfs/dbraw/zinc/82/59/75/850825975.db2.gz QTVMSFZPPCLMIH-VNVJMFPYSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000434355031 851026525 /nfs/dbraw/zinc/02/65/25/851026525.db2.gz LQYSLUFIBPWVQX-WTIAFYNJSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000434355031 851026537 /nfs/dbraw/zinc/02/65/37/851026537.db2.gz LQYSLUFIBPWVQX-WTIAFYNJSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000434355031 851026546 /nfs/dbraw/zinc/02/65/46/851026546.db2.gz LQYSLUFIBPWVQX-WTIAFYNJSA-N 2 1 398.595 3.698 20 0 GHADMP COC(=O)[C@H](CC[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000425433681 851068056 /nfs/dbraw/zinc/06/80/56/851068056.db2.gz MKZUFFCXWPMYTA-WOJBJXKFSA-N 2 1 381.520 3.664 20 0 GHADMP COC(=O)[C@H](CC[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000425433681 851068070 /nfs/dbraw/zinc/06/80/70/851068070.db2.gz MKZUFFCXWPMYTA-WOJBJXKFSA-N 2 1 381.520 3.664 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000514124107 851288864 /nfs/dbraw/zinc/28/88/64/851288864.db2.gz YWKMMBBFZKWMOG-SJBKTWHCSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514124107 851288876 /nfs/dbraw/zinc/28/88/76/851288876.db2.gz YWKMMBBFZKWMOG-SJBKTWHCSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514124107 851288886 /nfs/dbraw/zinc/28/88/86/851288886.db2.gz YWKMMBBFZKWMOG-SJBKTWHCSA-N 2 1 386.584 3.633 20 0 GHADMP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc(Br)c1OC ZINC000515712386 851378550 /nfs/dbraw/zinc/37/85/50/851378550.db2.gz USUVVSVKLJCDBI-UHFFFAOYSA-N 2 1 396.329 3.883 20 0 GHADMP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc(Br)c1OC ZINC000515712386 851378560 /nfs/dbraw/zinc/37/85/60/851378560.db2.gz USUVVSVKLJCDBI-UHFFFAOYSA-N 2 1 396.329 3.883 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)[C@H](c2ccccc2)C1 ZINC000436275638 851418379 /nfs/dbraw/zinc/41/83/79/851418379.db2.gz PIVGBLMYZZSSQW-NRFANRHFSA-N 2 1 395.576 3.607 20 0 GHADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1OC1CCOCC1 ZINC001167970957 851475789 /nfs/dbraw/zinc/47/57/89/851475789.db2.gz QPBBOCXUVHQQTD-IHWFROFDSA-N 2 1 388.527 3.879 20 0 GHADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1OC1CCOCC1 ZINC001167970957 851475800 /nfs/dbraw/zinc/47/58/00/851475800.db2.gz QPBBOCXUVHQQTD-IHWFROFDSA-N 2 1 388.527 3.879 20 0 GHADMP CC[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550144788 851743436 /nfs/dbraw/zinc/74/34/36/851743436.db2.gz LODNGFJDQPEJJM-JOCHJYFZSA-N 2 1 399.604 3.987 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000473733131 851783607 /nfs/dbraw/zinc/78/36/07/851783607.db2.gz CEBIBZXLFBNHBY-VXKWHMMOSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000473733131 851783615 /nfs/dbraw/zinc/78/36/15/851783615.db2.gz CEBIBZXLFBNHBY-VXKWHMMOSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000473733131 851783621 /nfs/dbraw/zinc/78/36/21/851783621.db2.gz CEBIBZXLFBNHBY-VXKWHMMOSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000506852798 851802968 /nfs/dbraw/zinc/80/29/68/851802968.db2.gz ZFKRBUPNHXJMTQ-UHFFFAOYSA-N 2 1 384.467 3.961 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000506852798 851802976 /nfs/dbraw/zinc/80/29/76/851802976.db2.gz ZFKRBUPNHXJMTQ-UHFFFAOYSA-N 2 1 384.467 3.961 20 0 GHADMP CC1(C)C[N@H+](Cc2cc3n(n2)CCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834956 851815605 /nfs/dbraw/zinc/81/56/05/851815605.db2.gz AKKRRVRHZBMNRT-QHCPKHFHSA-N 2 1 378.564 3.952 20 0 GHADMP CC1(C)C[N@@H+](Cc2cc3n(n2)CCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834956 851815609 /nfs/dbraw/zinc/81/56/09/851815609.db2.gz AKKRRVRHZBMNRT-QHCPKHFHSA-N 2 1 378.564 3.952 20 0 GHADMP CC1(C)C[N@@H+](CCCN2CCCC2=O)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837302 851880173 /nfs/dbraw/zinc/88/01/73/851880173.db2.gz UXDREEUCSJWHLA-QHCPKHFHSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H](c1nccc(N)n1)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838591 851881539 /nfs/dbraw/zinc/88/15/39/851881539.db2.gz VBCPNSHNSZOWSN-UTKZUKDTSA-N 2 1 379.552 3.742 20 0 GHADMP C[C@H](c1nccc(N)n1)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838591 851881549 /nfs/dbraw/zinc/88/15/49/851881549.db2.gz VBCPNSHNSZOWSN-UTKZUKDTSA-N 2 1 379.552 3.742 20 0 GHADMP CC(C)[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC1 ZINC000111856789 851946601 /nfs/dbraw/zinc/94/66/01/851946601.db2.gz LRENXTDCBLVUJF-WVUPVLJSSA-N 2 1 398.595 3.602 20 0 GHADMP CCN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458852839 852056315 /nfs/dbraw/zinc/05/63/15/852056315.db2.gz OINDSJVSXIEXSN-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000102038085 852104042 /nfs/dbraw/zinc/10/40/42/852104042.db2.gz AJKCFNMSRPTWOV-AZUAARDMSA-N 2 1 390.572 3.679 20 0 GHADMP CSc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000506877007 852280141 /nfs/dbraw/zinc/28/01/41/852280141.db2.gz TZUZGOCUDFHIHW-UHFFFAOYSA-N 2 1 399.398 3.715 20 0 GHADMP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CN)c2ccc3ccccc3c2)c1 ZINC000414932464 852460407 /nfs/dbraw/zinc/46/04/07/852460407.db2.gz CRVFQINICRJUSD-ZHRRBRCNSA-N 2 1 377.488 3.855 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426051075 852517027 /nfs/dbraw/zinc/51/70/27/852517027.db2.gz NWBAIWWDXFJWGZ-QFIPXVFZSA-N 2 1 386.971 3.636 20 0 GHADMP CCC(CC)n1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000438572821 852572886 /nfs/dbraw/zinc/57/28/86/852572886.db2.gz HAJPOILWZQSKSC-KDURUIRLSA-N 2 1 376.589 3.956 20 0 GHADMP CCC(CC)n1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000438572821 852572891 /nfs/dbraw/zinc/57/28/91/852572891.db2.gz HAJPOILWZQSKSC-KDURUIRLSA-N 2 1 376.589 3.956 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)cc4cccnc43)CC2)CC1 ZINC000516490490 852619787 /nfs/dbraw/zinc/61/97/87/852619787.db2.gz RNSIMOZUMCGHIV-UHFFFAOYSA-N 2 1 380.536 3.678 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000427063805 852668255 /nfs/dbraw/zinc/66/82/55/852668255.db2.gz ZEYPUZORLUDDAO-FYYLOGMGSA-N 2 1 381.564 3.761 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000490057668 852741033 /nfs/dbraw/zinc/74/10/33/852741033.db2.gz HVBIDUFKBATKGU-QHCPKHFHSA-N 2 1 382.552 3.889 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000490057668 852741043 /nfs/dbraw/zinc/74/10/43/852741043.db2.gz HVBIDUFKBATKGU-QHCPKHFHSA-N 2 1 382.552 3.889 20 0 GHADMP Cc1cc(CNC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)cc(N2CCCC2)[nH+]1 ZINC000518021421 852742251 /nfs/dbraw/zinc/74/22/51/852742251.db2.gz NTTWQCOJXUOTTJ-HXUWFJFHSA-N 2 1 386.927 3.563 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132022 852762592 /nfs/dbraw/zinc/76/25/92/852762592.db2.gz DMOGVLPUZJLZIH-QFIPXVFZSA-N 2 1 382.552 3.782 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000516638793 852812256 /nfs/dbraw/zinc/81/22/56/852812256.db2.gz USXCWDIVKUDMNC-PGRDOPGGSA-N 2 1 396.535 3.634 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000506368830 852893451 /nfs/dbraw/zinc/89/34/51/852893451.db2.gz JXPGFDNKISAXHT-UHFFFAOYSA-N 2 1 398.551 3.553 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000506368830 852893455 /nfs/dbraw/zinc/89/34/55/852893455.db2.gz JXPGFDNKISAXHT-UHFFFAOYSA-N 2 1 398.551 3.553 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000518297316 853173729 /nfs/dbraw/zinc/17/37/29/853173729.db2.gz OMCWWNIDFLJFPV-OAQYLSRUSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490702957 853201707 /nfs/dbraw/zinc/20/17/07/853201707.db2.gz WAJMTPYMHVWOMV-BWKNWUBXSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490702957 853201711 /nfs/dbraw/zinc/20/17/11/853201711.db2.gz WAJMTPYMHVWOMV-BWKNWUBXSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490765439 853243264 /nfs/dbraw/zinc/24/32/64/853243264.db2.gz BBEZJPFKCKRGBJ-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000473879198 853290126 /nfs/dbraw/zinc/29/01/26/853290126.db2.gz UGZGVSINTZBXGF-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000473879198 853290136 /nfs/dbraw/zinc/29/01/36/853290136.db2.gz UGZGVSINTZBXGF-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000473879198 853290150 /nfs/dbraw/zinc/29/01/50/853290150.db2.gz UGZGVSINTZBXGF-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000473879198 853290163 /nfs/dbraw/zinc/29/01/63/853290163.db2.gz UGZGVSINTZBXGF-QFIPXVFZSA-N 2 1 387.543 3.657 20 0 GHADMP Ic1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167963628 853326325 /nfs/dbraw/zinc/32/63/25/853326325.db2.gz AGXBZJNDOYYNIH-AYHJJNSGSA-N 2 1 396.316 3.786 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000491024747 853403544 /nfs/dbraw/zinc/40/35/44/853403544.db2.gz AYOWVDLCIZCMAI-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000491024747 853403556 /nfs/dbraw/zinc/40/35/56/853403556.db2.gz AYOWVDLCIZCMAI-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000491024747 853403571 /nfs/dbraw/zinc/40/35/71/853403571.db2.gz AYOWVDLCIZCMAI-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491030032 853408239 /nfs/dbraw/zinc/40/82/39/853408239.db2.gz VDPNVWXIXRJZPY-FQEVSTJZSA-N 2 1 379.548 3.882 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000623862421 862463551 /nfs/dbraw/zinc/46/35/51/862463551.db2.gz SUWPZCDPTBXLDQ-HNNXBMFYSA-N 2 1 375.454 3.913 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000518520387 853463885 /nfs/dbraw/zinc/46/38/85/853463885.db2.gz KORUIBVWTAFEPB-NRFANRHFSA-N 2 1 380.536 3.611 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000518520388 853464157 /nfs/dbraw/zinc/46/41/57/853464157.db2.gz KORUIBVWTAFEPB-OAQYLSRUSA-N 2 1 380.536 3.611 20 0 GHADMP Cc1nc2ccc(C[N@H+](C)C[C@@]3(O)CCN(Cc4ccccc4)C3)cc2s1 ZINC000426355686 853557706 /nfs/dbraw/zinc/55/77/06/853557706.db2.gz CGYALKTWUYMBCK-QFIPXVFZSA-N 2 1 381.545 3.674 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000414996394 853587050 /nfs/dbraw/zinc/58/70/50/853587050.db2.gz GHRWQXVIBSTKHM-QFBILLFUSA-N 2 1 394.437 3.919 20 0 GHADMP O=C(CC1CCC2(CC1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2)N1CC=CC1 ZINC001168377335 853595580 /nfs/dbraw/zinc/59/55/80/853595580.db2.gz DZXMZESTQWAHJQ-UHFFFAOYSA-N 2 1 399.623 3.922 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000415939579 853649785 /nfs/dbraw/zinc/64/97/85/853649785.db2.gz ZCJCRTCJOSXIOM-UHFFFAOYSA-N 2 1 384.499 3.675 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000415939579 853649794 /nfs/dbraw/zinc/64/97/94/853649794.db2.gz ZCJCRTCJOSXIOM-UHFFFAOYSA-N 2 1 384.499 3.675 20 0 GHADMP C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(C[NH+]4CCCCC4)cc3)n1)OC2 ZINC000570970342 853668991 /nfs/dbraw/zinc/66/89/91/853668991.db2.gz AZGLNFYOMGSPOB-KNQAVFIVSA-N 2 1 382.508 3.648 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOC(c1ccccc1)c1ccccc1 ZINC000441238777 854010383 /nfs/dbraw/zinc/01/03/83/854010383.db2.gz UYHPKSHYACWCSH-SMIHKQSGSA-N 2 1 394.559 3.976 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOC(c1ccccc1)c1ccccc1 ZINC000441238781 854010637 /nfs/dbraw/zinc/01/06/37/854010637.db2.gz UYHPKSHYACWCSH-WXFUMESZSA-N 2 1 394.559 3.976 20 0 GHADMP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000579235579 854088110 /nfs/dbraw/zinc/08/81/10/854088110.db2.gz UNHRKLXMILGIPU-QGZVFWFLSA-N 2 1 378.520 3.778 20 0 GHADMP Brc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441403241 854199431 /nfs/dbraw/zinc/19/94/31/854199431.db2.gz KJUIEDVPKWNJSY-DNVCBOLYSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441403241 854199435 /nfs/dbraw/zinc/19/94/35/854199435.db2.gz KJUIEDVPKWNJSY-DNVCBOLYSA-N 2 1 379.342 3.777 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000588711270 854369946 /nfs/dbraw/zinc/36/99/46/854369946.db2.gz NKCXKSGVLPYGOI-ROUUACIJSA-N 2 1 399.535 3.671 20 0 GHADMP NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994320 854436993 /nfs/dbraw/zinc/43/69/93/854436993.db2.gz BNMQJNUKVILPEZ-LYNUFONESA-N 2 1 381.564 3.515 20 0 GHADMP NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994320 854436994 /nfs/dbraw/zinc/43/69/94/854436994.db2.gz BNMQJNUKVILPEZ-LYNUFONESA-N 2 1 381.564 3.515 20 0 GHADMP NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994320 854436995 /nfs/dbraw/zinc/43/69/95/854436995.db2.gz BNMQJNUKVILPEZ-LYNUFONESA-N 2 1 381.564 3.515 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1cccs1 ZINC000647977717 854456157 /nfs/dbraw/zinc/45/61/57/854456157.db2.gz GPZGOTZUPOWRTO-ABSDTBQOSA-N 2 1 377.598 3.663 20 0 GHADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000330110334 862581631 /nfs/dbraw/zinc/58/16/31/862581631.db2.gz ACOUTZGVAKHPPX-SBHAEUEKSA-N 2 1 387.572 3.547 20 0 GHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000481990102 862584991 /nfs/dbraw/zinc/58/49/91/862584991.db2.gz IGRYUWBZKLRLQV-OXQOHEQNSA-N 2 1 392.465 3.993 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647979572 854635294 /nfs/dbraw/zinc/63/52/94/854635294.db2.gz ZKXUTIMGBXTZLS-MZKRTTBSSA-N 2 1 393.531 3.615 20 0 GHADMP FC(F)(F)c1nc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)no1 ZINC001167996242 854647427 /nfs/dbraw/zinc/64/74/27/854647427.db2.gz ZZIXIWIZLDSMRR-XYPWUTKMSA-N 2 1 384.446 3.673 20 0 GHADMP FC(F)(F)c1nc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)no1 ZINC001167996242 854647432 /nfs/dbraw/zinc/64/74/32/854647432.db2.gz ZZIXIWIZLDSMRR-XYPWUTKMSA-N 2 1 384.446 3.673 20 0 GHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000125056605 854684178 /nfs/dbraw/zinc/68/41/78/854684178.db2.gz QTWDOGIAANIALC-HNNXBMFYSA-N 2 1 379.426 3.802 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000073103895 854733889 /nfs/dbraw/zinc/73/38/89/854733889.db2.gz ZCRJJUFRMXZLEO-QHCPKHFHSA-N 2 1 379.548 3.535 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000073103895 854733897 /nfs/dbraw/zinc/73/38/97/854733897.db2.gz ZCRJJUFRMXZLEO-QHCPKHFHSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000589210404 854751296 /nfs/dbraw/zinc/75/12/96/854751296.db2.gz XLDXXSCGYKXGOA-LPHOPBHVSA-N 2 1 380.964 3.506 20 0 GHADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765791588 854820197 /nfs/dbraw/zinc/82/01/97/854820197.db2.gz NPHZJGZVJNXLAU-NHCUHLMSSA-N 2 1 386.486 3.571 20 0 GHADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765791588 854820199 /nfs/dbraw/zinc/82/01/99/854820199.db2.gz NPHZJGZVJNXLAU-NHCUHLMSSA-N 2 1 386.486 3.571 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765791548 854820259 /nfs/dbraw/zinc/82/02/59/854820259.db2.gz MUBWYLBMKBYSKW-MZYLBHOOSA-N 2 1 384.495 3.571 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765791548 854820262 /nfs/dbraw/zinc/82/02/62/854820262.db2.gz MUBWYLBMKBYSKW-MZYLBHOOSA-N 2 1 384.495 3.571 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441448937 854903950 /nfs/dbraw/zinc/90/39/50/854903950.db2.gz MDAJFZPJZJAESY-WBVHZDCISA-N 2 1 387.351 3.541 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441448937 854903955 /nfs/dbraw/zinc/90/39/55/854903955.db2.gz MDAJFZPJZJAESY-WBVHZDCISA-N 2 1 387.351 3.541 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000520877027 855040926 /nfs/dbraw/zinc/04/09/26/855040926.db2.gz FSSPSPZCIQSHGL-OAQYLSRUSA-N 2 1 398.551 3.580 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(C)c1C ZINC000589735522 855128942 /nfs/dbraw/zinc/12/89/42/855128942.db2.gz RQRDOSCZCDDAJH-WTIAFYNJSA-N 2 1 395.547 3.510 20 0 GHADMP CCCn1c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)nc2ccccc21 ZINC000589843287 855160010 /nfs/dbraw/zinc/16/00/10/855160010.db2.gz HJNGMIMXYGEBFY-HXUWFJFHSA-N 2 1 397.592 3.586 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000624103007 862653623 /nfs/dbraw/zinc/65/36/23/862653623.db2.gz PQDHGGDWEBVWED-INIZCTEOSA-N 2 1 393.478 3.788 20 0 GHADMP CC(C)(CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000520476928 855242291 /nfs/dbraw/zinc/24/22/91/855242291.db2.gz PYKSTPWXAWYKEF-IBGZPJMESA-N 2 1 386.584 3.731 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@H](C)C1 ZINC000624106778 862658345 /nfs/dbraw/zinc/65/83/45/862658345.db2.gz OHMHODBQSMZSIE-LEOXJPRUSA-N 2 1 377.532 3.704 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@H](C)C1 ZINC000624106781 862658521 /nfs/dbraw/zinc/65/85/21/862658521.db2.gz OHMHODBQSMZSIE-YFXJRYMSSA-N 2 1 377.532 3.704 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000604997782 862682894 /nfs/dbraw/zinc/68/28/94/862682894.db2.gz IWTYOKDRGIISFC-OAQYLSRUSA-N 2 1 375.532 3.682 20 0 GHADMP C[N@H+](CCCO)C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000604998670 862684309 /nfs/dbraw/zinc/68/43/09/862684309.db2.gz QBMPXBWDLRFLTO-GORDUTHDSA-N 2 1 381.358 3.631 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000604998670 862684318 /nfs/dbraw/zinc/68/43/18/862684318.db2.gz QBMPXBWDLRFLTO-GORDUTHDSA-N 2 1 381.358 3.631 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000542722361 855559477 /nfs/dbraw/zinc/55/94/77/855559477.db2.gz LKYFABUXWGZXSN-IYBDPMFKSA-N 2 1 386.989 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000542722361 855559480 /nfs/dbraw/zinc/55/94/80/855559480.db2.gz LKYFABUXWGZXSN-IYBDPMFKSA-N 2 1 386.989 3.591 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000674015773 862695773 /nfs/dbraw/zinc/69/57/73/862695773.db2.gz MOHRYPUTYLPKPB-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674015773 862695781 /nfs/dbraw/zinc/69/57/81/862695781.db2.gz MOHRYPUTYLPKPB-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674015773 862695791 /nfs/dbraw/zinc/69/57/91/862695791.db2.gz MOHRYPUTYLPKPB-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000465709108 855625558 /nfs/dbraw/zinc/62/55/58/855625558.db2.gz NQWGNMCZKMTEJS-WIYYLYMNSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000465709108 855625561 /nfs/dbraw/zinc/62/55/61/855625561.db2.gz NQWGNMCZKMTEJS-WIYYLYMNSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000465709108 855625563 /nfs/dbraw/zinc/62/55/63/855625563.db2.gz NQWGNMCZKMTEJS-WIYYLYMNSA-N 2 1 386.584 3.733 20 0 GHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000482139545 862724626 /nfs/dbraw/zinc/72/46/26/862724626.db2.gz USNRVCFTPPVCIL-CVEARBPZSA-N 2 1 383.483 3.717 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000760827460 856004537 /nfs/dbraw/zinc/00/45/37/856004537.db2.gz BCQXCUWZQWRDRN-UXHICEINSA-N 2 1 379.589 3.972 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000482154421 862749089 /nfs/dbraw/zinc/74/90/89/862749089.db2.gz WXYKWNNYFNAXJB-UHFFFAOYSA-N 2 1 399.623 3.682 20 0 GHADMP C[N@H+](CCCc1ccc2c(c1)CCO2)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000482154421 862749096 /nfs/dbraw/zinc/74/90/96/862749096.db2.gz WXYKWNNYFNAXJB-UHFFFAOYSA-N 3 1 399.623 3.682 20 0 GHADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000482154421 862749101 /nfs/dbraw/zinc/74/91/01/862749101.db2.gz WXYKWNNYFNAXJB-UHFFFAOYSA-N 3 1 399.623 3.682 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](C)C ZINC000508898387 856081240 /nfs/dbraw/zinc/08/12/40/856081240.db2.gz LLOCTNNBHUFEIA-YDLSIGKMSA-N 2 1 398.595 3.645 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000591580475 856162509 /nfs/dbraw/zinc/16/25/09/856162509.db2.gz BWUZFWNTLRQAOP-UNMCSNQZSA-N 2 1 386.584 3.552 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000520723618 856179324 /nfs/dbraw/zinc/17/93/24/856179324.db2.gz KWEGXRUDVSPNEU-JOCHJYFZSA-N 2 1 399.966 3.971 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000507811158 856268804 /nfs/dbraw/zinc/26/88/04/856268804.db2.gz JBAZOTRLPCZOLO-NTKDMRAZSA-N 2 1 381.539 3.951 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000507811158 856268824 /nfs/dbraw/zinc/26/88/24/856268824.db2.gz JBAZOTRLPCZOLO-NTKDMRAZSA-N 2 1 381.539 3.951 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000507811161 856270474 /nfs/dbraw/zinc/27/04/74/856270474.db2.gz JBAZOTRLPCZOLO-YADARESESA-N 2 1 381.539 3.951 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000507811161 856270477 /nfs/dbraw/zinc/27/04/77/856270477.db2.gz JBAZOTRLPCZOLO-YADARESESA-N 2 1 381.539 3.951 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485301666 856330953 /nfs/dbraw/zinc/33/09/53/856330953.db2.gz CTACQXLYXKPNMK-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000485302010 856334093 /nfs/dbraw/zinc/33/40/93/856334093.db2.gz KWBVVYPBZGMNQI-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP C[NH+](C)CCCN(C(=O)CCc1cnc[nH]1)C(c1ccccc1)c1ccccc1 ZINC000475591950 856343992 /nfs/dbraw/zinc/34/39/92/856343992.db2.gz QZLUFLLSIWJRMZ-UHFFFAOYSA-N 2 1 390.531 3.912 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000187023387 856395435 /nfs/dbraw/zinc/39/54/35/856395435.db2.gz OOKCLKMBYXCODO-UTKZUKDTSA-N 2 1 386.536 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000187023387 856395444 /nfs/dbraw/zinc/39/54/44/856395444.db2.gz OOKCLKMBYXCODO-UTKZUKDTSA-N 2 1 386.536 3.636 20 0 GHADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc(OC)c1O ZINC000573726097 856454922 /nfs/dbraw/zinc/45/49/22/856454922.db2.gz HADNOMDUEYOKRV-UHFFFAOYSA-N 2 1 384.520 3.753 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000073676928 856476501 /nfs/dbraw/zinc/47/65/01/856476501.db2.gz NCOUNDOMDAQNBV-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000073676928 856476511 /nfs/dbraw/zinc/47/65/11/856476511.db2.gz NCOUNDOMDAQNBV-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000073676928 856476519 /nfs/dbraw/zinc/47/65/19/856476519.db2.gz NCOUNDOMDAQNBV-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP Oc1ccc(C2CCC([NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)CC2)cc1 ZINC000668490810 856609780 /nfs/dbraw/zinc/60/97/80/856609780.db2.gz YACHXIXSHFRNBM-LLAFXHEGSA-N 2 1 380.532 3.775 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C[C@H](C)O1 ZINC000474019779 856627522 /nfs/dbraw/zinc/62/75/22/856627522.db2.gz CRSKTBONVYZUJJ-UBFQBMNUSA-N 2 1 386.580 3.981 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000766068971 856798444 /nfs/dbraw/zinc/79/84/44/856798444.db2.gz QILBAHCSZBGCHS-MDASCCDHSA-N 2 1 389.367 3.753 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000592394085 856804133 /nfs/dbraw/zinc/80/41/33/856804133.db2.gz MDIUMMRLSPCQHR-KRWDZBQOSA-N 2 1 399.535 3.970 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000427888012 856846717 /nfs/dbraw/zinc/84/67/17/856846717.db2.gz CIKVEPLQKAECMQ-NHTMILBNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000427888012 856846720 /nfs/dbraw/zinc/84/67/20/856846720.db2.gz CIKVEPLQKAECMQ-NHTMILBNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000427888012 856846723 /nfs/dbraw/zinc/84/67/23/856846723.db2.gz CIKVEPLQKAECMQ-NHTMILBNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000427888012 856846728 /nfs/dbraw/zinc/84/67/28/856846728.db2.gz CIKVEPLQKAECMQ-NHTMILBNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000427888012 856846731 /nfs/dbraw/zinc/84/67/31/856846731.db2.gz CIKVEPLQKAECMQ-NHTMILBNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492320 856898782 /nfs/dbraw/zinc/89/87/82/856898782.db2.gz XTSXIHOXJOTCAQ-OALUTQOASA-N 2 1 397.519 3.730 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c[nH]nc3-c3ccc(C)o3)CC2)cs1 ZINC000111397498 856905200 /nfs/dbraw/zinc/90/52/00/856905200.db2.gz YKYFGGLENCQGLB-UHFFFAOYSA-N 2 1 399.564 3.999 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000485817512 857127295 /nfs/dbraw/zinc/12/72/95/857127295.db2.gz PUUXKNPGDYPLRS-QHCPKHFHSA-N 2 1 397.538 3.900 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000485817512 857127301 /nfs/dbraw/zinc/12/73/01/857127301.db2.gz PUUXKNPGDYPLRS-QHCPKHFHSA-N 2 1 397.538 3.900 20 0 GHADMP CC(C)Oc1ncccc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000675335495 857152791 /nfs/dbraw/zinc/15/27/91/857152791.db2.gz UTJXSVLVCINWGR-UHFFFAOYSA-N 2 1 382.552 3.689 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCc2sccc2C1 ZINC000592983776 857174089 /nfs/dbraw/zinc/17/40/89/857174089.db2.gz QNMAIUKGRNLSDY-GOSISDBHSA-N 2 1 397.588 3.666 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1cccc(Br)c1 ZINC000429254085 857423625 /nfs/dbraw/zinc/42/36/25/857423625.db2.gz PRDAERRIKSOUQA-UHFFFAOYSA-N 2 1 380.330 3.999 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1cccc(Br)c1 ZINC000429254085 857423630 /nfs/dbraw/zinc/42/36/30/857423630.db2.gz PRDAERRIKSOUQA-UHFFFAOYSA-N 2 1 380.330 3.999 20 0 GHADMP C[C@H](CO)[N@@H+](Cc1cccc(C[NH+]([C@@H](C)CO)C2CCCC2)c1)C1CCCC1 ZINC000672554569 857461121 /nfs/dbraw/zinc/46/11/21/857461121.db2.gz ZAJBVZBPBCIGKD-BGYRXZFFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](CO)[NH+](Cc1cccc(C[N@H+]([C@@H](C)CO)C2CCCC2)c1)C1CCCC1 ZINC000672554569 857461133 /nfs/dbraw/zinc/46/11/33/857461133.db2.gz ZAJBVZBPBCIGKD-BGYRXZFFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](CO)[NH+](Cc1cccc(C[N@@H+]([C@@H](C)CO)C2CCCC2)c1)C1CCCC1 ZINC000672554569 857461138 /nfs/dbraw/zinc/46/11/38/857461138.db2.gz ZAJBVZBPBCIGKD-BGYRXZFFSA-N 2 1 388.596 3.937 20 0 GHADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000574271366 857485737 /nfs/dbraw/zinc/48/57/37/857485737.db2.gz VQLBQSCGDUZTIM-XPPIMPSXSA-N 2 1 380.532 3.700 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000574249632 857501568 /nfs/dbraw/zinc/50/15/68/857501568.db2.gz WVFGYPCJFQYIDB-QFIPXVFZSA-N 2 1 397.611 3.615 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1nc2ccccc2s1)c1ccccc1 ZINC000625719665 862919133 /nfs/dbraw/zinc/91/91/33/862919133.db2.gz JJDAOCLSSJPXPY-GOSISDBHSA-N 2 1 396.560 3.540 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000672603033 857522805 /nfs/dbraw/zinc/52/28/05/857522805.db2.gz NPTOSOWLVPFRTH-TZIWHRDSSA-N 2 1 375.520 3.830 20 0 GHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880518 857658681 /nfs/dbraw/zinc/65/86/81/857658681.db2.gz FOWKBVREKBMNAD-PKOBYXMFSA-N 2 1 379.342 3.669 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OCC)cc32)[C@H](C)C1 ZINC000675885256 857660389 /nfs/dbraw/zinc/66/03/89/857660389.db2.gz NEAUCYIHKHAVLR-JRGCBEDISA-N 2 1 376.541 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OCC)cc32)[C@H](C)C1 ZINC000675885256 857660394 /nfs/dbraw/zinc/66/03/94/857660394.db2.gz NEAUCYIHKHAVLR-JRGCBEDISA-N 2 1 376.541 3.636 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000676221012 857784455 /nfs/dbraw/zinc/78/44/55/857784455.db2.gz FQIQOJUROIXVJJ-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000676221012 857784459 /nfs/dbraw/zinc/78/44/59/857784459.db2.gz FQIQOJUROIXVJJ-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594100074 857936277 /nfs/dbraw/zinc/93/62/77/857936277.db2.gz XEJFKMNJRIISIK-BGYRXZFFSA-N 2 1 386.584 3.522 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000486715742 858017920 /nfs/dbraw/zinc/01/79/20/858017920.db2.gz WNAHEBNZHPPOHW-IBGZPJMESA-N 2 1 388.556 3.547 20 0 GHADMP CC(C)(C)C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000665294670 858134904 /nfs/dbraw/zinc/13/49/04/858134904.db2.gz UCPRARQHMNZYKB-HNNXBMFYSA-N 2 1 393.329 3.671 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](OCC(C)C)C3(C)C)CC2)oc1C ZINC000181740383 862993623 /nfs/dbraw/zinc/99/36/23/862993623.db2.gz RHQGAMPGPQCVTM-UXHICEINSA-N 2 1 377.573 3.933 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cnn1-c1cccc(Cl)c1 ZINC000442874874 858190501 /nfs/dbraw/zinc/19/05/01/858190501.db2.gz RIOLVURFUWMPHN-MRXNPFEDSA-N 2 1 389.975 3.511 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000442950410 858249665 /nfs/dbraw/zinc/24/96/65/858249665.db2.gz KQYQNXYHVBJPTI-WMTXJRDZSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000442950410 858249673 /nfs/dbraw/zinc/24/96/73/858249673.db2.gz KQYQNXYHVBJPTI-WMTXJRDZSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000442950410 858249681 /nfs/dbraw/zinc/24/96/81/858249681.db2.gz KQYQNXYHVBJPTI-WMTXJRDZSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000574828123 858309593 /nfs/dbraw/zinc/30/95/93/858309593.db2.gz JLDSVEHCNNOVLD-UZLBHIALSA-N 2 1 375.532 3.730 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1Cl ZINC000594949867 858343522 /nfs/dbraw/zinc/34/35/22/858343522.db2.gz UIGMNCXCSNYWDT-FXAWDEMLSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000466122043 858356015 /nfs/dbraw/zinc/35/60/15/858356015.db2.gz ZNWRXDAZQUGEOU-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C)[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608612 863014808 /nfs/dbraw/zinc/01/48/08/863014808.db2.gz SDXAUPZJOVNGTJ-GMAHTHKFSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608612 863014817 /nfs/dbraw/zinc/01/48/17/863014817.db2.gz SDXAUPZJOVNGTJ-GMAHTHKFSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608612 863014823 /nfs/dbraw/zinc/01/48/23/863014823.db2.gz SDXAUPZJOVNGTJ-GMAHTHKFSA-N 2 1 399.966 3.971 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443103963 858362313 /nfs/dbraw/zinc/36/23/13/858362313.db2.gz RLJRZEIKBNPSKI-QIJUGHKUSA-N 2 1 375.601 3.943 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000067361222 858539686 /nfs/dbraw/zinc/53/96/86/858539686.db2.gz DDHQHBCIVMYNQJ-QHCPKHFHSA-N 2 1 391.559 3.924 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3c(C4CC4)cnn3C)cc2)C[C@H]1C ZINC000657426717 858750315 /nfs/dbraw/zinc/75/03/15/858750315.db2.gz JDSNSHWIJAPTLP-KDURUIRLSA-N 2 1 396.579 3.596 20 0 GHADMP C[C@@H]1CC([NH2+][C@@H]2CCc3ccccc3NC2=O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168019414 858777429 /nfs/dbraw/zinc/77/74/29/858777429.db2.gz IWAGNXKPYGYCSU-PMAPCBKXSA-N 2 1 377.532 3.971 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)cc1 ZINC000668111730 858812557 /nfs/dbraw/zinc/81/25/57/858812557.db2.gz VSZYQPXEZNEBMV-UHFFFAOYSA-N 2 1 376.504 3.512 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)cc1 ZINC000668111730 858812563 /nfs/dbraw/zinc/81/25/63/858812563.db2.gz VSZYQPXEZNEBMV-UHFFFAOYSA-N 2 1 376.504 3.512 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000482861536 858925494 /nfs/dbraw/zinc/92/54/94/858925494.db2.gz CKQRCMSYJTWXBD-HXUWFJFHSA-N 2 1 377.960 3.640 20 0 GHADMP Cc1ccc(C)c(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000429287047 858935016 /nfs/dbraw/zinc/93/50/16/858935016.db2.gz SFHWRTHKCIZSDN-UHFFFAOYSA-N 2 1 393.575 3.824 20 0 GHADMP Cc1ccc(C)c(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000429287047 858935019 /nfs/dbraw/zinc/93/50/19/858935019.db2.gz SFHWRTHKCIZSDN-UHFFFAOYSA-N 2 1 393.575 3.824 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CC2CCCCC2)[C@@H](C)C1 ZINC000482877308 858937315 /nfs/dbraw/zinc/93/73/15/858937315.db2.gz QWRCLQAVXSNAMA-PMVMPFDFSA-N 2 1 379.633 3.758 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000482877308 858937323 /nfs/dbraw/zinc/93/73/23/858937323.db2.gz QWRCLQAVXSNAMA-PMVMPFDFSA-N 2 1 379.633 3.758 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000482877308 858937334 /nfs/dbraw/zinc/93/73/34/858937334.db2.gz QWRCLQAVXSNAMA-PMVMPFDFSA-N 2 1 379.633 3.758 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCN3CCN(c4ccccc4)CC3)C2)CC1 ZINC000509297380 858980708 /nfs/dbraw/zinc/98/07/08/858980708.db2.gz ZDFVUJDWIPBLBC-XMMPIXPASA-N 2 1 398.639 3.643 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)CC1 ZINC000509297380 858980713 /nfs/dbraw/zinc/98/07/13/858980713.db2.gz ZDFVUJDWIPBLBC-XMMPIXPASA-N 2 1 398.639 3.643 20 0 GHADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443596718 859023706 /nfs/dbraw/zinc/02/37/06/859023706.db2.gz BBXSTRVHBCQWSE-MRXNPFEDSA-N 2 1 379.495 3.880 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000466307860 859070360 /nfs/dbraw/zinc/07/03/60/859070360.db2.gz ORUZYXBDNGEFQX-FCEUIQTBSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000466307860 859070368 /nfs/dbraw/zinc/07/03/68/859070368.db2.gz ORUZYXBDNGEFQX-FCEUIQTBSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000466307860 859070376 /nfs/dbraw/zinc/07/03/76/859070376.db2.gz ORUZYXBDNGEFQX-FCEUIQTBSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185660411 859113035 /nfs/dbraw/zinc/11/30/35/859113035.db2.gz HSPFWTXQRHKSGG-HUUCEWRRSA-N 2 1 383.989 3.603 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185660411 859113037 /nfs/dbraw/zinc/11/30/37/859113037.db2.gz HSPFWTXQRHKSGG-HUUCEWRRSA-N 2 1 383.989 3.603 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000185679910 859116115 /nfs/dbraw/zinc/11/61/15/859116115.db2.gz WQRJYELAKBPURS-BQFCYCMXSA-N 2 1 377.960 3.587 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000185679910 859116118 /nfs/dbraw/zinc/11/61/18/859116118.db2.gz WQRJYELAKBPURS-BQFCYCMXSA-N 2 1 377.960 3.587 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185711035 859119188 /nfs/dbraw/zinc/11/91/88/859119188.db2.gz XZEOTVCLGFULQM-CTNGQTDRSA-N 2 1 383.580 3.729 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185711035 859119193 /nfs/dbraw/zinc/11/91/93/859119193.db2.gz XZEOTVCLGFULQM-CTNGQTDRSA-N 2 1 383.580 3.729 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705624 859119392 /nfs/dbraw/zinc/11/93/92/859119392.db2.gz CGJXFVUEPQZLOS-RYRKJORJSA-N 2 1 377.960 3.587 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705624 859119396 /nfs/dbraw/zinc/11/93/96/859119396.db2.gz CGJXFVUEPQZLOS-RYRKJORJSA-N 2 1 377.960 3.587 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185760731 859125801 /nfs/dbraw/zinc/12/58/01/859125801.db2.gz MNRDJRGCXCXTJA-WPSZSDGUSA-N 2 1 399.579 3.505 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185760731 859125807 /nfs/dbraw/zinc/12/58/07/859125807.db2.gz MNRDJRGCXCXTJA-WPSZSDGUSA-N 2 1 399.579 3.505 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000483083929 859133269 /nfs/dbraw/zinc/13/32/69/859133269.db2.gz MFRGLJXEHFNDMB-CPJSRVTESA-N 2 1 391.559 3.769 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000483083929 859133274 /nfs/dbraw/zinc/13/32/74/859133274.db2.gz MFRGLJXEHFNDMB-CPJSRVTESA-N 2 1 391.559 3.769 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000060375804 859137472 /nfs/dbraw/zinc/13/74/72/859137472.db2.gz PNGJCZMTJRENKP-UHFFFAOYSA-N 2 1 396.457 3.581 20 0 GHADMP COc1ccc([C@H](C)[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000193560460 859172681 /nfs/dbraw/zinc/17/26/81/859172681.db2.gz YCPDRFVCKORSBJ-IBGZPJMESA-N 2 1 395.547 3.600 20 0 GHADMP COc1ccc([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000193560460 859172692 /nfs/dbraw/zinc/17/26/92/859172692.db2.gz YCPDRFVCKORSBJ-IBGZPJMESA-N 2 1 395.547 3.600 20 0 GHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc21 ZINC000483174462 859189102 /nfs/dbraw/zinc/18/91/02/859189102.db2.gz KHSCFUYIWIAXKL-IBGZPJMESA-N 2 1 382.552 3.796 20 0 GHADMP [NH3+]CCc1nc(-c2ccccc2)nn1-c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001168716569 859214383 /nfs/dbraw/zinc/21/43/83/859214383.db2.gz BKAZLBDMICYAAC-UHFFFAOYSA-N 2 1 395.510 3.951 20 0 GHADMP CCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000923311386 859225561 /nfs/dbraw/zinc/22/55/61/859225561.db2.gz XDWNTUATECUKRH-XDNSSPFJSA-N 2 1 383.580 3.924 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1F ZINC000597057532 859254005 /nfs/dbraw/zinc/25/40/05/859254005.db2.gz MNECZPVFYFMKIV-KXBFYZLASA-N 2 1 376.497 3.847 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1F ZINC000597057532 859254029 /nfs/dbraw/zinc/25/40/29/859254029.db2.gz MNECZPVFYFMKIV-KXBFYZLASA-N 2 1 376.497 3.847 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000443670264 859263026 /nfs/dbraw/zinc/26/30/26/859263026.db2.gz SLZJZFZIMLACAH-BGYRXZFFSA-N 2 1 389.584 3.536 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000443670264 859263041 /nfs/dbraw/zinc/26/30/41/859263041.db2.gz SLZJZFZIMLACAH-BGYRXZFFSA-N 2 1 389.584 3.536 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000443670264 859263055 /nfs/dbraw/zinc/26/30/55/859263055.db2.gz SLZJZFZIMLACAH-BGYRXZFFSA-N 2 1 389.584 3.536 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923393489 859278597 /nfs/dbraw/zinc/27/85/97/859278597.db2.gz RDASOGPFNLQZBC-WUOIFLIFSA-N 2 1 398.469 3.529 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C[C@@H]1c1ccc(F)cc1 ZINC000429418331 859318700 /nfs/dbraw/zinc/31/87/00/859318700.db2.gz NHIYJRJUFONSRK-KUEHFBCJSA-N 2 1 394.534 3.792 20 0 GHADMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1csc(Cc3ccc(Cl)cc3)n1)CC2 ZINC000923453073 859330423 /nfs/dbraw/zinc/33/04/23/859330423.db2.gz ZLMNKNOXDCSMTH-SFHVURJKSA-N 2 1 391.968 3.717 20 0 GHADMP O[C@H](COc1ccccc1F)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466908 859393327 /nfs/dbraw/zinc/39/33/27/859393327.db2.gz BTLOQEZIMRBIEX-QNWVGRARSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466908 859393339 /nfs/dbraw/zinc/39/33/39/859393339.db2.gz BTLOQEZIMRBIEX-QNWVGRARSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466908 859393351 /nfs/dbraw/zinc/39/33/51/859393351.db2.gz BTLOQEZIMRBIEX-QNWVGRARSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483466908 859393363 /nfs/dbraw/zinc/39/33/63/859393363.db2.gz BTLOQEZIMRBIEX-QNWVGRARSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466908 859393375 /nfs/dbraw/zinc/39/33/75/859393375.db2.gz BTLOQEZIMRBIEX-QNWVGRARSA-N 2 1 398.522 3.552 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000626062090 859434545 /nfs/dbraw/zinc/43/45/45/859434545.db2.gz GHWDUSSIUCQRJO-LJQANCHMSA-N 2 1 379.548 3.544 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(CN2CCOCC2)c1 ZINC000626063683 859437715 /nfs/dbraw/zinc/43/77/15/859437715.db2.gz MLRIENWWGHLYKT-UHFFFAOYSA-N 2 1 381.564 3.603 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558549 881424530 /nfs/dbraw/zinc/42/45/30/881424530.db2.gz JMKLUAQQSKAQRO-DENIHFKCSA-N 2 1 395.547 3.941 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558549 881424539 /nfs/dbraw/zinc/42/45/39/881424539.db2.gz JMKLUAQQSKAQRO-DENIHFKCSA-N 2 1 395.547 3.941 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558549 881424550 /nfs/dbraw/zinc/42/45/50/881424550.db2.gz JMKLUAQQSKAQRO-DENIHFKCSA-N 2 1 395.547 3.941 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000114178603 859471071 /nfs/dbraw/zinc/47/10/71/859471071.db2.gz ZQHMIOBHDZDDMI-UHFFFAOYSA-N 2 1 386.565 3.893 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000483735917 859575203 /nfs/dbraw/zinc/57/52/03/859575203.db2.gz YXHKACWOMRZXOZ-GBXCKJPGSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735917 859575206 /nfs/dbraw/zinc/57/52/06/859575206.db2.gz YXHKACWOMRZXOZ-GBXCKJPGSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735917 859575211 /nfs/dbraw/zinc/57/52/11/859575211.db2.gz YXHKACWOMRZXOZ-GBXCKJPGSA-N 2 1 377.576 3.586 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC000483761009 859595567 /nfs/dbraw/zinc/59/55/67/859595567.db2.gz PZWCNGXZQUHNNT-BVSLBCMMSA-N 2 1 386.584 3.646 20 0 GHADMP CCC[N@H+](Cc1cn2ccccc2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477109 859626365 /nfs/dbraw/zinc/62/63/65/859626365.db2.gz MYEVOZNBKQBLCD-UHFFFAOYSA-N 2 1 378.524 3.622 20 0 GHADMP CCC[N@@H+](Cc1cn2ccccc2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477109 859626369 /nfs/dbraw/zinc/62/63/69/859626369.db2.gz MYEVOZNBKQBLCD-UHFFFAOYSA-N 2 1 378.524 3.622 20 0 GHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459582 859793558 /nfs/dbraw/zinc/79/35/58/859793558.db2.gz AEDJURWYUOKQFB-IRLDBZIGSA-N 2 1 385.596 3.976 20 0 GHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459582 859793567 /nfs/dbraw/zinc/79/35/67/859793567.db2.gz AEDJURWYUOKQFB-IRLDBZIGSA-N 2 1 385.596 3.976 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474315645 859841546 /nfs/dbraw/zinc/84/15/46/859841546.db2.gz WPBHGZWBIXECME-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474315645 859841560 /nfs/dbraw/zinc/84/15/60/859841560.db2.gz WPBHGZWBIXECME-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)CCO1 ZINC000856561777 881468851 /nfs/dbraw/zinc/46/88/51/881468851.db2.gz YVQLWBBOLADGOX-SYYKKAFVSA-N 2 1 375.557 3.580 20 0 GHADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)CCO1 ZINC000856561777 881468856 /nfs/dbraw/zinc/46/88/56/881468856.db2.gz YVQLWBBOLADGOX-SYYKKAFVSA-N 2 1 375.557 3.580 20 0 GHADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)CCO1 ZINC000856561777 881468861 /nfs/dbraw/zinc/46/88/61/881468861.db2.gz YVQLWBBOLADGOX-SYYKKAFVSA-N 2 1 375.557 3.580 20 0 GHADMP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)CC1 ZINC000602202930 859847509 /nfs/dbraw/zinc/84/75/09/859847509.db2.gz AGICSOIIILFXDO-IBGZPJMESA-N 2 1 397.494 3.516 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCOc2ccc3c(c2)OCO3)CC1)CC(C)C ZINC001168413151 860232320 /nfs/dbraw/zinc/23/23/20/860232320.db2.gz HMAQEXLGCZAMHO-UHFFFAOYSA-N 2 1 376.541 3.874 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000508967609 860319749 /nfs/dbraw/zinc/31/97/49/860319749.db2.gz MCTHVLKFRVNRAM-HEHNFIMWSA-N 2 1 385.596 3.727 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(Br)c3)C2)CC1 ZINC000532224364 881527309 /nfs/dbraw/zinc/52/73/09/881527309.db2.gz MTHRMZFANKOCEI-LPHOPBHVSA-N 2 1 380.374 3.610 20 0 GHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1cccc(C(F)(F)F)c1 ZINC000484805237 860362823 /nfs/dbraw/zinc/36/28/23/860362823.db2.gz JXZPWSXECQLHGO-NXWXRZEISA-N 2 1 386.458 3.610 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474560450 860367558 /nfs/dbraw/zinc/36/75/58/860367558.db2.gz MPQOJWUDCJMEFY-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474560450 860367564 /nfs/dbraw/zinc/36/75/64/860367564.db2.gz MPQOJWUDCJMEFY-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1c(Cl)cccc1Cl ZINC000603072437 860457638 /nfs/dbraw/zinc/45/76/38/860457638.db2.gz AHBGYHBUMSLVEJ-ZDUSSCGKSA-N 2 1 393.318 3.882 20 0 GHADMP COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC2)cc1 ZINC000904571438 860518460 /nfs/dbraw/zinc/51/84/60/860518460.db2.gz AOPKOSMVWWGCJU-UHFFFAOYSA-N 2 1 396.535 3.629 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCCC3CCOCC3)C2)ccn1 ZINC000856584513 881555288 /nfs/dbraw/zinc/55/52/88/881555288.db2.gz LNYNSWUGIHKIRP-JOCHJYFZSA-N 2 1 375.557 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856584513 881555292 /nfs/dbraw/zinc/55/52/92/881555292.db2.gz LNYNSWUGIHKIRP-JOCHJYFZSA-N 2 1 375.557 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856584513 881555299 /nfs/dbraw/zinc/55/52/99/881555299.db2.gz LNYNSWUGIHKIRP-JOCHJYFZSA-N 2 1 375.557 3.583 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000054511549 860599841 /nfs/dbraw/zinc/59/98/41/860599841.db2.gz SALISSXKCSIMAP-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000054511549 860599848 /nfs/dbraw/zinc/59/98/48/860599848.db2.gz SALISSXKCSIMAP-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000054511549 860599854 /nfs/dbraw/zinc/59/98/54/860599854.db2.gz SALISSXKCSIMAP-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)(C)C ZINC000116426055 860633959 /nfs/dbraw/zinc/63/39/59/860633959.db2.gz LWIVOASDJYPXRI-MJGOQNOKSA-N 2 1 394.629 3.626 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCSc3ccccc3F)C2)ccn1 ZINC000856591561 881562819 /nfs/dbraw/zinc/56/28/19/881562819.db2.gz BLRJUOPMVYUZJA-IBGZPJMESA-N 2 1 389.540 3.918 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCSc3ccccc3F)C2)ccn1 ZINC000856591561 881562838 /nfs/dbraw/zinc/56/28/38/881562838.db2.gz BLRJUOPMVYUZJA-IBGZPJMESA-N 2 1 389.540 3.918 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCSc3ccccc3F)C2)ccn1 ZINC000856591561 881562856 /nfs/dbraw/zinc/56/28/56/881562856.db2.gz BLRJUOPMVYUZJA-IBGZPJMESA-N 2 1 389.540 3.918 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156057573 860668990 /nfs/dbraw/zinc/66/89/90/860668990.db2.gz JXKSHJBDLDIMGW-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCc1noc([C@H]2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)n1 ZINC000922865319 860678019 /nfs/dbraw/zinc/67/80/19/860678019.db2.gz HSRJYEDVWFJCGH-FXAWDEMLSA-N 2 1 386.515 3.704 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599188 881573364 /nfs/dbraw/zinc/57/33/64/881573364.db2.gz GLBIOANUAXUBQJ-FQEVSTJZSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599188 881573371 /nfs/dbraw/zinc/57/33/71/881573371.db2.gz GLBIOANUAXUBQJ-FQEVSTJZSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599188 881573380 /nfs/dbraw/zinc/57/33/80/881573380.db2.gz GLBIOANUAXUBQJ-FQEVSTJZSA-N 2 1 389.490 3.896 20 0 GHADMP CN(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000489825068 860763592 /nfs/dbraw/zinc/76/35/92/860763592.db2.gz LUCXBMKEGIWVTD-GMAHTHKFSA-N 2 1 383.511 3.577 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000489825068 860763599 /nfs/dbraw/zinc/76/35/99/860763599.db2.gz LUCXBMKEGIWVTD-GMAHTHKFSA-N 2 1 383.511 3.577 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000489825206 860763813 /nfs/dbraw/zinc/76/38/13/860763813.db2.gz XVHXJXXTZVUEDC-DENIHFKCSA-N 2 1 386.584 3.509 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(Cl)n1 ZINC000856606173 881580469 /nfs/dbraw/zinc/58/04/69/881580469.db2.gz ITSQQSFGKPCRRG-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(Cl)n1 ZINC000856606173 881580488 /nfs/dbraw/zinc/58/04/88/881580488.db2.gz ITSQQSFGKPCRRG-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(Cl)n1 ZINC000856606173 881580506 /nfs/dbraw/zinc/58/05/06/881580506.db2.gz ITSQQSFGKPCRRG-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(Cl)n1 ZINC000856606173 881580513 /nfs/dbraw/zinc/58/05/13/881580513.db2.gz ITSQQSFGKPCRRG-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000102935471 860907988 /nfs/dbraw/zinc/90/79/88/860907988.db2.gz YVLDOGNTMUHWHD-WMZOPIPTSA-N 2 1 397.567 3.528 20 0 GHADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000102935471 860908003 /nfs/dbraw/zinc/90/80/03/860908003.db2.gz YVLDOGNTMUHWHD-WMZOPIPTSA-N 2 1 397.567 3.528 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2)n1 ZINC000481304356 860987973 /nfs/dbraw/zinc/98/79/73/860987973.db2.gz HTAXZGVEHLYMEC-FDDCHVKYSA-N 2 1 389.547 3.884 20 0 GHADMP CC[C@H]1[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048922 863107949 /nfs/dbraw/zinc/10/79/49/863107949.db2.gz YJKOYGOYPSOSDH-KMLDFKBOSA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@H]1[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048922 863107958 /nfs/dbraw/zinc/10/79/58/863107958.db2.gz YJKOYGOYPSOSDH-KMLDFKBOSA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@H]1[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048922 863107967 /nfs/dbraw/zinc/10/79/67/863107967.db2.gz YJKOYGOYPSOSDH-KMLDFKBOSA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@H]1[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048922 863107975 /nfs/dbraw/zinc/10/79/75/863107975.db2.gz YJKOYGOYPSOSDH-KMLDFKBOSA-N 2 1 383.580 3.951 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182257231 863166321 /nfs/dbraw/zinc/16/63/21/863166321.db2.gz FHAGQMHJXCHDQC-YJBOKZPZSA-N 2 1 376.447 3.705 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000159033022 863201484 /nfs/dbraw/zinc/20/14/84/863201484.db2.gz OMIKVWIFAKWQNQ-FGSXEWAUSA-N 2 1 386.561 3.651 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000159033022 863201500 /nfs/dbraw/zinc/20/15/00/863201500.db2.gz OMIKVWIFAKWQNQ-FGSXEWAUSA-N 2 1 386.561 3.651 20 0 GHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000281585790 863268339 /nfs/dbraw/zinc/26/83/39/863268339.db2.gz LLLLEBQYBVPKJU-KNQAVFIVSA-N 2 1 384.495 3.568 20 0 GHADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482566811 863323647 /nfs/dbraw/zinc/32/36/47/863323647.db2.gz RUMCEJARUHRZLF-SJLPKXTDSA-N 2 1 385.474 3.724 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000606640335 863742585 /nfs/dbraw/zinc/74/25/85/863742585.db2.gz SXOQTMWFBMYUIR-FQEVSTJZSA-N 2 1 380.621 3.652 20 0 GHADMP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606901451 863924986 /nfs/dbraw/zinc/92/49/86/863924986.db2.gz QGRBPQODJLUBPD-LEWJYISDSA-N 2 1 396.531 3.636 20 0 GHADMP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606901451 863925005 /nfs/dbraw/zinc/92/50/05/863925005.db2.gz QGRBPQODJLUBPD-LEWJYISDSA-N 2 1 396.531 3.636 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[NH2+][C@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000898518384 864077148 /nfs/dbraw/zinc/07/71/48/864077148.db2.gz HGEXEOHZWMZNIT-CDJZJNNCSA-N 2 1 388.527 3.510 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000898518386 864077615 /nfs/dbraw/zinc/07/76/15/864077615.db2.gz HGEXEOHZWMZNIT-PVIWCNJMSA-N 2 1 388.527 3.510 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898519765 864080670 /nfs/dbraw/zinc/08/06/70/864080670.db2.gz RAFFTQXMYCJUKR-QHAWAJNXSA-N 2 1 393.531 3.649 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000475127671 864266702 /nfs/dbraw/zinc/26/67/02/864266702.db2.gz DHNJGMSBCABKMR-XZOQPEGZSA-N 2 1 394.563 3.514 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168058735 864475839 /nfs/dbraw/zinc/47/58/39/864475839.db2.gz QZJRKHSSAVCDMC-MHXAIHSWSA-N 2 1 395.547 3.985 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168058735 864475844 /nfs/dbraw/zinc/47/58/44/864475844.db2.gz QZJRKHSSAVCDMC-MHXAIHSWSA-N 2 1 395.547 3.985 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168058735 864475847 /nfs/dbraw/zinc/47/58/47/864475847.db2.gz QZJRKHSSAVCDMC-MHXAIHSWSA-N 2 1 395.547 3.985 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000163711649 864556427 /nfs/dbraw/zinc/55/64/27/864556427.db2.gz CTNHZDVYTKDBDX-YADARESESA-N 2 1 390.531 3.905 20 0 GHADMP Cc1csc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)n1 ZINC000165299739 864660601 /nfs/dbraw/zinc/66/06/01/864660601.db2.gz IQFMBJMDEPIMKL-FQEVSTJZSA-N 2 1 384.593 3.575 20 0 GHADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000165995205 864707119 /nfs/dbraw/zinc/70/71/19/864707119.db2.gz LWFJHNLWEMKSGU-XMMPIXPASA-N 2 1 381.564 3.955 20 0 GHADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000165995205 864707122 /nfs/dbraw/zinc/70/71/22/864707122.db2.gz LWFJHNLWEMKSGU-XMMPIXPASA-N 2 1 381.564 3.955 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166240867 864726010 /nfs/dbraw/zinc/72/60/10/864726010.db2.gz BEFGOYFUNMGGTM-UKILVPOCSA-N 2 1 393.575 3.692 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532334324 881814471 /nfs/dbraw/zinc/81/44/71/881814471.db2.gz MFWNPAUJWJYYLA-KYNGSXCRSA-N 2 1 397.485 3.687 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532334324 881814481 /nfs/dbraw/zinc/81/44/81/881814481.db2.gz MFWNPAUJWJYYLA-KYNGSXCRSA-N 2 1 397.485 3.687 20 0 GHADMP c1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667706275 864942264 /nfs/dbraw/zinc/94/22/64/864942264.db2.gz WAWOBOQNPOPSMQ-QPPBQGQZSA-N 2 1 387.531 3.754 20 0 GHADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000480611274 864944372 /nfs/dbraw/zinc/94/43/72/864944372.db2.gz OIEQMOHNQYCRSI-ZACQAIPSSA-N 2 1 375.948 3.939 20 0 GHADMP CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000480605105 864964521 /nfs/dbraw/zinc/96/45/21/864964521.db2.gz HBQMOGUVHGLYLI-QHCPKHFHSA-N 2 1 379.548 3.951 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2)CC1 ZINC000182676419 864972411 /nfs/dbraw/zinc/97/24/11/864972411.db2.gz GEARCCSDPAXHMG-DHIUTWEWSA-N 2 1 398.595 3.544 20 0 GHADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480630511 865011181 /nfs/dbraw/zinc/01/11/81/865011181.db2.gz MFQSMZSCFYOVST-QHCPKHFHSA-N 2 1 397.538 3.570 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000622519154 865050903 /nfs/dbraw/zinc/05/09/03/865050903.db2.gz SAPBUEFUDTUQCH-SFHVURJKSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000622519153 865050954 /nfs/dbraw/zinc/05/09/54/865050954.db2.gz SAPBUEFUDTUQCH-GOSISDBHSA-N 2 1 385.474 3.641 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C(C)C)cc1Cl ZINC000429539813 881833233 /nfs/dbraw/zinc/83/32/33/881833233.db2.gz VWSHEEHODIDNKY-MSOLQXFVSA-N 2 1 382.976 3.928 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C(C)C)cc1Cl ZINC000429539813 881833271 /nfs/dbraw/zinc/83/32/71/881833271.db2.gz VWSHEEHODIDNKY-MSOLQXFVSA-N 2 1 382.976 3.928 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480735314 865167195 /nfs/dbraw/zinc/16/71/95/865167195.db2.gz SINSLEPIWWHKIX-CVDCTZTESA-N 2 1 379.548 3.827 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480735314 865167203 /nfs/dbraw/zinc/16/72/03/865167203.db2.gz SINSLEPIWWHKIX-CVDCTZTESA-N 2 1 379.548 3.827 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC([NH+](C)C)CC2)n1 ZINC000301119435 865169131 /nfs/dbraw/zinc/16/91/31/865169131.db2.gz PRRHITNNWABESW-UHFFFAOYSA-N 2 1 395.576 3.950 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000667736928 865184977 /nfs/dbraw/zinc/18/49/77/865184977.db2.gz YNMZAZGJCBAEAC-BAGYTPMASA-N 2 1 378.520 3.568 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000554980421 865266282 /nfs/dbraw/zinc/26/62/82/865266282.db2.gz ATAXWQQJSYQDIO-FQEVSTJZSA-N 2 1 377.536 3.669 20 0 GHADMP CC(C)[C@@H](CNc1cc[nH+]c2ccc(Br)cc12)[NH+]1CCN(C)CC1 ZINC000301334845 865293418 /nfs/dbraw/zinc/29/34/18/865293418.db2.gz CNCQAAMVVUPRTM-LJQANCHMSA-N 2 1 391.357 3.681 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2c1C ZINC000301590769 865443065 /nfs/dbraw/zinc/44/30/65/865443065.db2.gz XSFFXTYVXKFTGF-CJNGLKHVSA-N 2 1 385.581 3.941 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c2c1C ZINC000301590769 865443070 /nfs/dbraw/zinc/44/30/70/865443070.db2.gz XSFFXTYVXKFTGF-CJNGLKHVSA-N 2 1 385.581 3.941 20 0 GHADMP CC[NH+]1CCN(c2ccc(CNc3cc(C)[nH+]c4c(OC)cccc34)cn2)CC1 ZINC000301657178 865479599 /nfs/dbraw/zinc/47/95/99/865479599.db2.gz ICJWCAJUFBEJEJ-UHFFFAOYSA-N 2 1 391.519 3.701 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000608685441 865554214 /nfs/dbraw/zinc/55/42/14/865554214.db2.gz SCHLSDWQHPDJQY-UNMCSNQZSA-N 2 1 386.584 3.587 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1OCc1ccncc1 ZINC000128491181 865563504 /nfs/dbraw/zinc/56/35/04/865563504.db2.gz JVHASXUZPGZKQS-UHFFFAOYSA-N 2 1 383.536 3.879 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189521955 881895983 /nfs/dbraw/zinc/89/59/83/881895983.db2.gz HVZPGLQQJMDVFS-RDJZCZTQSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189521955 881895993 /nfs/dbraw/zinc/89/59/93/881895993.db2.gz HVZPGLQQJMDVFS-RDJZCZTQSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521955 881896009 /nfs/dbraw/zinc/89/60/09/881896009.db2.gz HVZPGLQQJMDVFS-RDJZCZTQSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521955 881896024 /nfs/dbraw/zinc/89/60/24/881896024.db2.gz HVZPGLQQJMDVFS-RDJZCZTQSA-N 2 1 376.438 3.888 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000555214427 865730559 /nfs/dbraw/zinc/73/05/59/865730559.db2.gz PYWLBWJVEJIGNJ-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP c1cc(C[NH+]2CC[C@@]3(C2)CCCOC3)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000671253710 865734025 /nfs/dbraw/zinc/73/40/25/865734025.db2.gz ORSZRKHLTYBMDD-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)CCCOC3)cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000671253710 865734029 /nfs/dbraw/zinc/73/40/29/865734029.db2.gz ORSZRKHLTYBMDD-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)CCCOC3)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000671253710 865734036 /nfs/dbraw/zinc/73/40/36/865734036.db2.gz ORSZRKHLTYBMDD-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174427618 865905471 /nfs/dbraw/zinc/90/54/71/865905471.db2.gz XKVWNTHFHZDQTL-IBGZPJMESA-N 2 1 377.916 3.973 20 0 GHADMP Cc1[nH]c2ccccc2c1C1=CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000174594316 865923182 /nfs/dbraw/zinc/92/31/82/865923182.db2.gz AMGKOXVRBHQPTL-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000174594316 865923190 /nfs/dbraw/zinc/92/31/90/865923190.db2.gz AMGKOXVRBHQPTL-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCC1)c1ccccc1 ZINC000174891334 865952219 /nfs/dbraw/zinc/95/22/19/865952219.db2.gz SJNDDBYGWWVWRX-BHGTWAMESA-N 2 1 398.595 3.965 20 0 GHADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000623086927 866005358 /nfs/dbraw/zinc/00/53/58/866005358.db2.gz SDVSXNOWUPORBW-UHFFFAOYSA-N 2 1 385.515 3.973 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481199197 866023061 /nfs/dbraw/zinc/02/30/61/866023061.db2.gz PDNTWFBGCFXRDY-URXFXBBRSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481199197 866023076 /nfs/dbraw/zinc/02/30/76/866023076.db2.gz PDNTWFBGCFXRDY-URXFXBBRSA-N 2 1 393.575 3.924 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105457099 866297246 /nfs/dbraw/zinc/29/72/46/866297246.db2.gz WTJYLUOKWZSOQT-QGZVFWFLSA-N 2 1 376.495 3.977 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105457099 866297268 /nfs/dbraw/zinc/29/72/68/866297268.db2.gz WTJYLUOKWZSOQT-QGZVFWFLSA-N 2 1 376.495 3.977 20 0 GHADMP O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000011079738 866326358 /nfs/dbraw/zinc/32/63/58/866326358.db2.gz RWHOHZKIEOJCRN-QFIPXVFZSA-N 2 1 381.495 3.531 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000552843849 866338046 /nfs/dbraw/zinc/33/80/46/866338046.db2.gz IIDIOKPDZIGJAL-UHFFFAOYSA-N 2 1 397.607 3.664 20 0 GHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)C1 ZINC000563958225 866355816 /nfs/dbraw/zinc/35/58/16/866355816.db2.gz SVXWZRWAEFPLPK-OAHLLOKOSA-N 2 1 391.357 3.800 20 0 GHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)C1 ZINC000563958225 866355824 /nfs/dbraw/zinc/35/58/24/866355824.db2.gz SVXWZRWAEFPLPK-OAHLLOKOSA-N 2 1 391.357 3.800 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000478632201 866391255 /nfs/dbraw/zinc/39/12/55/866391255.db2.gz QQMQEVBKXCCUGJ-QGZVFWFLSA-N 2 1 377.598 3.926 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3cccs3)CC2)CC1 ZINC000552876604 866413692 /nfs/dbraw/zinc/41/36/92/866413692.db2.gz YNZVAGLUNQRNOK-LJQANCHMSA-N 2 1 375.582 3.608 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000620192313 866529647 /nfs/dbraw/zinc/52/96/47/866529647.db2.gz JUDIVKDXGSTYTR-XZOQPEGZSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000620192313 866529651 /nfs/dbraw/zinc/52/96/51/866529651.db2.gz JUDIVKDXGSTYTR-XZOQPEGZSA-N 2 1 391.559 3.708 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523220683 866890422 /nfs/dbraw/zinc/89/04/22/866890422.db2.gz ZCMJZESPVNPEJW-PKOBYXMFSA-N 2 1 390.572 3.535 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)o1 ZINC000523220682 866891296 /nfs/dbraw/zinc/89/12/96/866891296.db2.gz ZCMJZESPVNPEJW-MJGOQNOKSA-N 2 1 390.572 3.535 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCC[C@H]3c3ccco3)CC2)CC1 ZINC000553163205 866930211 /nfs/dbraw/zinc/93/02/11/866930211.db2.gz JNHDHWHHJHJZPY-NRFANRHFSA-N 2 1 387.568 3.920 20 0 GHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793207865 882034279 /nfs/dbraw/zinc/03/42/79/882034279.db2.gz SPLBLETVMWECCO-WSTZPKSXSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455922546 867249191 /nfs/dbraw/zinc/24/91/91/867249191.db2.gz MFKCLYYGDNIIRB-WZONZLPQSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455922546 867249197 /nfs/dbraw/zinc/24/91/97/867249197.db2.gz MFKCLYYGDNIIRB-WZONZLPQSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000479182312 867296728 /nfs/dbraw/zinc/29/67/28/867296728.db2.gz CMWAHESZKUBOTJ-JTSKRJEESA-N 2 1 383.511 3.559 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000444963694 867567804 /nfs/dbraw/zinc/56/78/04/867567804.db2.gz HHMJTEMEXICAIZ-LJQANCHMSA-N 2 1 386.584 3.633 20 0 GHADMP O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523636822 867705341 /nfs/dbraw/zinc/70/53/41/867705341.db2.gz QJQKUFKCWFPQMS-UHFFFAOYSA-N 2 1 395.522 3.702 20 0 GHADMP O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523636822 867705355 /nfs/dbraw/zinc/70/53/55/867705355.db2.gz QJQKUFKCWFPQMS-UHFFFAOYSA-N 2 1 395.522 3.702 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479465677 867810419 /nfs/dbraw/zinc/81/04/19/867810419.db2.gz XKRGKMNUFRNBIQ-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000155598523 867969748 /nfs/dbraw/zinc/96/97/48/867969748.db2.gz HQFZDDQTMOYJKR-YLJYHZDGSA-N 2 1 395.950 3.709 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000479554835 868042128 /nfs/dbraw/zinc/04/21/28/868042128.db2.gz NEVXOWZGDPSWDS-GIVPXCGWSA-N 2 1 378.605 3.545 20 0 GHADMP Cc1cc(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc(N2CCCC2)[nH+]1 ZINC000857263576 882153917 /nfs/dbraw/zinc/15/39/17/882153917.db2.gz VZVQSWVEMMBNMS-JOCHJYFZSA-N 2 1 392.547 3.729 20 0 GHADMP Cc1cc(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)cc(N2CCCC2)[nH+]1 ZINC000857263576 882153931 /nfs/dbraw/zinc/15/39/31/882153931.db2.gz VZVQSWVEMMBNMS-JOCHJYFZSA-N 2 1 392.547 3.729 20 0 GHADMP Cc1cc(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc(N2CCCC2)[nH+]1 ZINC000857263577 882154339 /nfs/dbraw/zinc/15/43/39/882154339.db2.gz VZVQSWVEMMBNMS-QFIPXVFZSA-N 2 1 392.547 3.729 20 0 GHADMP Cc1cc(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)cc(N2CCCC2)[nH+]1 ZINC000857263577 882154344 /nfs/dbraw/zinc/15/43/44/882154344.db2.gz VZVQSWVEMMBNMS-QFIPXVFZSA-N 2 1 392.547 3.729 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000523906998 868260888 /nfs/dbraw/zinc/26/08/88/868260888.db2.gz SDCCARUBHXBGRL-IBGZPJMESA-N 2 1 386.584 3.776 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000156596070 868411078 /nfs/dbraw/zinc/41/10/78/868411078.db2.gz IVHUKNFUQBAXQJ-RPWUZVMVSA-N 2 1 391.559 3.875 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000479764718 868488295 /nfs/dbraw/zinc/48/82/95/868488295.db2.gz BADTUOIRGROOJE-UHFFFAOYSA-N 2 1 375.900 3.528 20 0 GHADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156978693 868519006 /nfs/dbraw/zinc/51/90/06/868519006.db2.gz UAJXDLSVQIVECM-CGYQNGNCSA-N 2 1 395.522 3.546 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000457661609 868595052 /nfs/dbraw/zinc/59/50/52/868595052.db2.gz STSXVNHERKPSBR-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000457661609 868595061 /nfs/dbraw/zinc/59/50/61/868595061.db2.gz STSXVNHERKPSBR-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000457661609 868595063 /nfs/dbraw/zinc/59/50/63/868595063.db2.gz STSXVNHERKPSBR-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP COC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(Cl)c1F ZINC000554049138 868649694 /nfs/dbraw/zinc/64/96/94/868649694.db2.gz JREXMAYDAOUKCK-IBGZPJMESA-N 2 1 380.891 3.897 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cccc(Br)c1 ZINC000157481502 868665681 /nfs/dbraw/zinc/66/56/81/868665681.db2.gz DJPCKFMYKCUZRC-GOSISDBHSA-N 2 1 394.357 3.728 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1Cl ZINC000554086757 868728137 /nfs/dbraw/zinc/72/81/37/868728137.db2.gz PJEGWIBKXPATCP-SQXWHWBNSA-N 2 1 384.951 3.916 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000479929897 868740749 /nfs/dbraw/zinc/74/07/49/868740749.db2.gz WYRNOFVCLNYCKV-MOPGFXCFSA-N 2 1 395.613 3.632 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000479929897 868740754 /nfs/dbraw/zinc/74/07/54/868740754.db2.gz WYRNOFVCLNYCKV-MOPGFXCFSA-N 2 1 395.613 3.632 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1-n1cccn1 ZINC000479929425 868741858 /nfs/dbraw/zinc/74/18/58/868741858.db2.gz LZXIULMJTNLYKZ-IBGZPJMESA-N 2 1 376.504 3.555 20 0 GHADMP CCC(CC)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+](C)C ZINC000158107844 868862360 /nfs/dbraw/zinc/86/23/60/868862360.db2.gz KADRNHKMMQPOBU-FQEVSTJZSA-N 2 1 392.613 3.723 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4cc(Cl)cnc4o3)c2)CCO1 ZINC000648435672 882237508 /nfs/dbraw/zinc/23/75/08/882237508.db2.gz FQKOFSCKHKHRRK-OAHLLOKOSA-N 2 1 385.895 3.992 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4cc(Cl)cnc4o3)c2)CCO1 ZINC000648435672 882237523 /nfs/dbraw/zinc/23/75/23/882237523.db2.gz FQKOFSCKHKHRRK-OAHLLOKOSA-N 2 1 385.895 3.992 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000158217833 868897952 /nfs/dbraw/zinc/89/79/52/868897952.db2.gz NFJBKZJXXBFAIX-QFBILLFUSA-N 2 1 397.485 3.704 20 0 GHADMP Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C[NH+](C)C)c1 ZINC000524349701 868950173 /nfs/dbraw/zinc/95/01/73/868950173.db2.gz FCBQVVKEUGMJDD-RTBURBONSA-N 2 1 395.547 3.918 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)n(C)n1 ZINC000793548785 882260443 /nfs/dbraw/zinc/26/04/43/882260443.db2.gz VLTVFWFUNXYWGW-WSTZPKSXSA-N 2 1 384.568 3.588 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000524485150 869166255 /nfs/dbraw/zinc/16/62/55/869166255.db2.gz VYMPUZUYTOVQNW-MRXNPFEDSA-N 2 1 397.966 3.878 20 0 GHADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000539495802 869247488 /nfs/dbraw/zinc/24/74/88/869247488.db2.gz FHIHGJKFDVOTQL-IBGZPJMESA-N 2 1 395.547 3.627 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(I)c3)C2)CC1 ZINC000793590008 882294684 /nfs/dbraw/zinc/29/46/84/882294684.db2.gz BKJQREULJLBVDD-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000446258121 869618787 /nfs/dbraw/zinc/61/87/87/869618787.db2.gz DJCRHGDLEJMXBH-UGTJMOTHSA-N 2 1 385.552 3.532 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462717138 869960940 /nfs/dbraw/zinc/96/09/40/869960940.db2.gz VPGAOSRRQBZENV-KCZVDYSFSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462717138 869960945 /nfs/dbraw/zinc/96/09/45/869960945.db2.gz VPGAOSRRQBZENV-KCZVDYSFSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462717138 869960951 /nfs/dbraw/zinc/96/09/51/869960951.db2.gz VPGAOSRRQBZENV-KCZVDYSFSA-N 2 1 388.600 3.801 20 0 GHADMP CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OCC(C)C ZINC000539898208 869987231 /nfs/dbraw/zinc/98/72/31/869987231.db2.gz NCUWRXUZHCNMMZ-KCZVDYSFSA-N 2 1 390.568 3.804 20 0 GHADMP CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OCC(C)C ZINC000539898208 869987242 /nfs/dbraw/zinc/98/72/42/869987242.db2.gz NCUWRXUZHCNMMZ-KCZVDYSFSA-N 2 1 390.568 3.804 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000462740059 869997373 /nfs/dbraw/zinc/99/73/73/869997373.db2.gz REPZQIMPTYWLFY-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000462748553 870016196 /nfs/dbraw/zinc/01/61/96/870016196.db2.gz DAFUQWCXQXCRDR-DHIUTWEWSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(-n2cnnn2)c1 ZINC000669851625 870043499 /nfs/dbraw/zinc/04/34/99/870043499.db2.gz KPKSYILUXPTNNH-GCJKJVERSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(-n2cnnn2)c1 ZINC000669851625 870043515 /nfs/dbraw/zinc/04/35/15/870043515.db2.gz KPKSYILUXPTNNH-GCJKJVERSA-N 2 1 390.535 3.614 20 0 GHADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000462773910 870071615 /nfs/dbraw/zinc/07/16/15/870071615.db2.gz BQSBXNZRKOLLFZ-FXAWDEMLSA-N 2 1 383.536 3.510 20 0 GHADMP COC(=O)CCC[NH+]1CCC(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000462799199 870074361 /nfs/dbraw/zinc/07/43/61/870074361.db2.gz WTQJHMFIZQEHTE-SFHVURJKSA-N 2 1 388.556 3.598 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000462871388 870227434 /nfs/dbraw/zinc/22/74/34/870227434.db2.gz PAOOZSYAWBPZMB-CTUHWIOQSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C[NH+](Cc2ccccc2)C1 ZINC000462871388 870227443 /nfs/dbraw/zinc/22/74/43/870227443.db2.gz PAOOZSYAWBPZMB-CTUHWIOQSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)C[NH+](Cc2ccccc2)C1 ZINC000462871388 870227452 /nfs/dbraw/zinc/22/74/52/870227452.db2.gz PAOOZSYAWBPZMB-CTUHWIOQSA-N 2 1 379.548 3.576 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccccc3Br)C2)CC1 ZINC000525267701 870274722 /nfs/dbraw/zinc/27/47/22/870274722.db2.gz MRDSLCVJWICWJI-SJORKVTESA-N 2 1 380.374 3.610 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000248176787 870310838 /nfs/dbraw/zinc/31/08/38/870310838.db2.gz VSPNSWCSFBDMOW-SIKLNZKXSA-N 2 1 379.548 3.852 20 0 GHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408751 870385579 /nfs/dbraw/zinc/38/55/79/870385579.db2.gz VVNSHAXJVRPLBI-IEIRFRATSA-N 2 1 398.595 3.776 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000248408683 870386237 /nfs/dbraw/zinc/38/62/37/870386237.db2.gz FGFHNCMOZTZKJU-CAUSLRQDSA-N 2 1 380.532 3.619 20 0 GHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000248463323 870440573 /nfs/dbraw/zinc/44/05/73/870440573.db2.gz YWRAWTBHVZUWKJ-ZWKOTPCHSA-N 2 1 381.520 3.717 20 0 GHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000248463323 870440575 /nfs/dbraw/zinc/44/05/75/870440575.db2.gz YWRAWTBHVZUWKJ-ZWKOTPCHSA-N 2 1 381.520 3.717 20 0 GHADMP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942642 870472648 /nfs/dbraw/zinc/47/26/48/870472648.db2.gz GCAHYJONIDHASN-FXAWDEMLSA-N 2 1 383.536 3.605 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)C1CC[NH+](C)CC1 ZINC000248691731 870592786 /nfs/dbraw/zinc/59/27/86/870592786.db2.gz IRUQMNOFKMPMKI-VWLOTQADSA-N 2 1 391.559 3.848 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Br)cs1 ZINC000248723819 870609017 /nfs/dbraw/zinc/60/90/17/870609017.db2.gz HAOLMBULBTVGAE-SUMWQHHRSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000463007701 870654491 /nfs/dbraw/zinc/65/44/91/870654491.db2.gz GWBLBEHTHQCHFN-CVDCTZTESA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2OC)CC1)CC(C)C ZINC000540197794 870739499 /nfs/dbraw/zinc/73/94/99/870739499.db2.gz NAOBPWLPAIEVBH-UHFFFAOYSA-N 2 1 375.557 3.714 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2OC)CC1)CC(C)C ZINC000540197794 870739503 /nfs/dbraw/zinc/73/95/03/870739503.db2.gz NAOBPWLPAIEVBH-UHFFFAOYSA-N 2 1 375.557 3.714 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168840230 870901035 /nfs/dbraw/zinc/90/10/35/870901035.db2.gz STVNGADZFCOWII-ZFMNYDKASA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168840230 870901044 /nfs/dbraw/zinc/90/10/44/870901044.db2.gz STVNGADZFCOWII-ZFMNYDKASA-N 2 1 387.568 3.885 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1OC ZINC000463111417 870907022 /nfs/dbraw/zinc/90/70/22/870907022.db2.gz PFYRJQGDZOMBQY-WIYYLYMNSA-N 2 1 398.547 3.898 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1OC ZINC000463111417 870907037 /nfs/dbraw/zinc/90/70/37/870907037.db2.gz PFYRJQGDZOMBQY-WIYYLYMNSA-N 2 1 398.547 3.898 20 0 GHADMP C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945734 870951925 /nfs/dbraw/zinc/95/19/25/870951925.db2.gz GWJSXOSAZXUWNW-QGZVFWFLSA-N 2 1 391.519 3.768 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884895 870976397 /nfs/dbraw/zinc/97/63/97/870976397.db2.gz SRQNMZIXRSKQRD-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884895 870976409 /nfs/dbraw/zinc/97/64/09/870976409.db2.gz SRQNMZIXRSKQRD-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884895 870976417 /nfs/dbraw/zinc/97/64/17/870976417.db2.gz SRQNMZIXRSKQRD-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884895 870976428 /nfs/dbraw/zinc/97/64/28/870976428.db2.gz SRQNMZIXRSKQRD-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP CN(CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@H]1CCCC[N@H+]1C ZINC000538967135 870991847 /nfs/dbraw/zinc/99/18/47/870991847.db2.gz YPRFWLZNGFWYFE-OAHLLOKOSA-N 2 1 387.597 3.501 20 0 GHADMP C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@H]1CCCC[NH+]1C ZINC000538967135 870991852 /nfs/dbraw/zinc/99/18/52/870991852.db2.gz YPRFWLZNGFWYFE-OAHLLOKOSA-N 2 1 387.597 3.501 20 0 GHADMP C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@H]1CCCC[NH+]1C ZINC000538967135 870991862 /nfs/dbraw/zinc/99/18/62/870991862.db2.gz YPRFWLZNGFWYFE-OAHLLOKOSA-N 2 1 387.597 3.501 20 0 GHADMP C[NH+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@H]1CCCC[N@@H+]1C ZINC000538967135 870991870 /nfs/dbraw/zinc/99/18/70/870991870.db2.gz YPRFWLZNGFWYFE-OAHLLOKOSA-N 2 1 387.597 3.501 20 0 GHADMP C[NH+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@H]1CCCC[N@H+]1C ZINC000538967135 870991901 /nfs/dbraw/zinc/99/19/01/870991901.db2.gz YPRFWLZNGFWYFE-OAHLLOKOSA-N 2 1 387.597 3.501 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000538983458 871047554 /nfs/dbraw/zinc/04/75/54/871047554.db2.gz AJMBWYKVIFGLDI-LAUBAEHRSA-N 2 1 389.515 3.750 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000540343160 871068476 /nfs/dbraw/zinc/06/84/76/871068476.db2.gz OADRLTOLKXDMEQ-HARLFGEKSA-N 2 1 395.547 3.515 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccccc3F)C(C)C)CC2)CC1 ZINC000617994723 871106492 /nfs/dbraw/zinc/10/64/92/871106492.db2.gz RLLDWCDCUUEGAS-JOCHJYFZSA-N 2 1 389.559 3.835 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000539056379 871191389 /nfs/dbraw/zinc/19/13/89/871191389.db2.gz JGKZFRGZILMRFI-NSHGMRRFSA-N 2 1 386.540 3.567 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3C(F)(F)F)CC1)C2 ZINC001169117896 871209043 /nfs/dbraw/zinc/20/90/43/871209043.db2.gz BLFUOUWCEJFAGS-REPLKXPHSA-N 2 1 381.486 3.885 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000539063543 871209433 /nfs/dbraw/zinc/20/94/33/871209433.db2.gz KNNHULGLEDUSEI-UFYCRDLUSA-N 2 1 378.944 3.830 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120230 871209731 /nfs/dbraw/zinc/20/97/31/871209731.db2.gz ZUGIAVBGXNQNEO-YCSHWKNNSA-N 2 1 380.532 3.688 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449122124 871210461 /nfs/dbraw/zinc/21/04/61/871210461.db2.gz KKCVSMOYNWJNOW-FXAWDEMLSA-N 2 1 377.960 3.508 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539043104 871216897 /nfs/dbraw/zinc/21/68/97/871216897.db2.gz QCYSFKGPHXFXDP-RBBKRZOGSA-N 2 1 378.564 3.941 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)c2ccccc2)CC1 ZINC000463219563 871216977 /nfs/dbraw/zinc/21/69/77/871216977.db2.gz PYCXVAFOCSZXRJ-HXUWFJFHSA-N 2 1 379.548 3.850 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)c2ccccc2)CC1 ZINC000463219563 871216993 /nfs/dbraw/zinc/21/69/93/871216993.db2.gz PYCXVAFOCSZXRJ-HXUWFJFHSA-N 2 1 379.548 3.850 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3cccc(Br)c3)CCOCC1)C2 ZINC001169109585 871234384 /nfs/dbraw/zinc/23/43/84/871234384.db2.gz DYRVNBRCAACOCO-BCDXTJNWSA-N 2 1 379.342 3.670 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000539086352 871236488 /nfs/dbraw/zinc/23/64/88/871236488.db2.gz JPIBFWZHTBREGY-SJORKVTESA-N 2 1 394.510 3.701 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000539070597 871256426 /nfs/dbraw/zinc/25/64/26/871256426.db2.gz IGXWFEPULUVNFT-FDDCHVKYSA-N 2 1 381.520 3.524 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000539070597 871256448 /nfs/dbraw/zinc/25/64/48/871256448.db2.gz IGXWFEPULUVNFT-FDDCHVKYSA-N 2 1 381.520 3.524 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000525709575 871268922 /nfs/dbraw/zinc/26/89/22/871268922.db2.gz PKYKJTZEFRZXKE-YLJYHZDGSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000525709575 871268935 /nfs/dbraw/zinc/26/89/35/871268935.db2.gz PKYKJTZEFRZXKE-YLJYHZDGSA-N 2 1 384.520 3.855 20 0 GHADMP C[N@H+](CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC001169177377 871302163 /nfs/dbraw/zinc/30/21/63/871302163.db2.gz HGWNCAJMYKQZPH-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP C[N@@H+](CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC001169177377 871302186 /nfs/dbraw/zinc/30/21/86/871302186.db2.gz HGWNCAJMYKQZPH-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463277309 871313547 /nfs/dbraw/zinc/31/35/47/871313547.db2.gz CQDDTYSMIFVXKJ-OUFMZXHOSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000463277309 871313569 /nfs/dbraw/zinc/31/35/69/871313569.db2.gz CQDDTYSMIFVXKJ-OUFMZXHOSA-N 2 1 382.552 3.766 20 0 GHADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001169264152 871328907 /nfs/dbraw/zinc/32/89/07/871328907.db2.gz IKGHZDZLZHHXEO-XMMPIXPASA-N 2 1 391.559 3.774 20 0 GHADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001169264152 871328927 /nfs/dbraw/zinc/32/89/27/871328927.db2.gz IKGHZDZLZHHXEO-XMMPIXPASA-N 2 1 391.559 3.774 20 0 GHADMP Fc1ccc(-c2cc3cc[nH+]c(NCc4ncn5c4C[NH2+]CCC5)c3[nH]2)cc1 ZINC001169239939 871339200 /nfs/dbraw/zinc/33/92/00/871339200.db2.gz DQFIYXZBXJLVKH-UHFFFAOYSA-N 2 1 376.439 3.671 20 0 GHADMP CC(C)[N@@H+](C)CCCNCc1cc(Br)cc(Br)c1N ZINC000463296001 871357525 /nfs/dbraw/zinc/35/75/25/871357525.db2.gz BHMLTVVVXIDMCC-UHFFFAOYSA-N 2 1 393.167 3.614 20 0 GHADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463296001 871357543 /nfs/dbraw/zinc/35/75/43/871357543.db2.gz BHMLTVVVXIDMCC-UHFFFAOYSA-N 2 1 393.167 3.614 20 0 GHADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463296001 871357561 /nfs/dbraw/zinc/35/75/61/871357561.db2.gz BHMLTVVVXIDMCC-UHFFFAOYSA-N 2 1 393.167 3.614 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)C[C@H](C)O1 ZINC000539145965 871372337 /nfs/dbraw/zinc/37/23/37/871372337.db2.gz DBSQFRQZRPUQBE-IEGUWTFLSA-N 2 1 390.543 3.793 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)C[C@H](C)O1 ZINC000539145965 871372355 /nfs/dbraw/zinc/37/23/55/871372355.db2.gz DBSQFRQZRPUQBE-IEGUWTFLSA-N 2 1 390.543 3.793 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000461971064 871385428 /nfs/dbraw/zinc/38/54/28/871385428.db2.gz HJVDZGWQLZZEBT-UHFFFAOYSA-N 2 1 376.932 3.640 20 0 GHADMP [NH3+]C1(c2ccc(N[C@@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2)CCC1 ZINC001169518804 871590015 /nfs/dbraw/zinc/59/00/15/871590015.db2.gz KNJWDZOJBUUYPG-SIKLNZKXSA-N 2 1 393.531 3.896 20 0 GHADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(OC)c(OC)c3)CCCCC2)CC1 ZINC000462115264 871639062 /nfs/dbraw/zinc/63/90/62/871639062.db2.gz FGRXOTRBWAKCNX-UHFFFAOYSA-N 2 1 390.568 3.606 20 0 GHADMP CC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001169589959 871650644 /nfs/dbraw/zinc/65/06/44/871650644.db2.gz WHCNBRWOVORNJD-SDHOMARFSA-N 2 1 391.559 3.645 20 0 GHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)[NH+](C)C ZINC000539319857 871683074 /nfs/dbraw/zinc/68/30/74/871683074.db2.gz JSPRRVGKIYJIBJ-FCHUYYIVSA-N 2 1 389.584 3.991 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000618537134 871705004 /nfs/dbraw/zinc/70/50/04/871705004.db2.gz GKSNRBCFEWFMRS-UHFFFAOYSA-N 2 1 398.378 3.806 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)c1)C1CC1 ZINC000539331264 871710050 /nfs/dbraw/zinc/71/00/50/871710050.db2.gz DWKMWNJSLITPRN-QHCPKHFHSA-N 2 1 377.532 3.926 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1)C1CC1 ZINC000539331264 871710060 /nfs/dbraw/zinc/71/00/60/871710060.db2.gz DWKMWNJSLITPRN-QHCPKHFHSA-N 2 1 377.532 3.926 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1)C1CC1 ZINC000539331264 871710070 /nfs/dbraw/zinc/71/00/70/871710070.db2.gz DWKMWNJSLITPRN-QHCPKHFHSA-N 2 1 377.532 3.926 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)c1)C1CC1 ZINC000539332402 871714224 /nfs/dbraw/zinc/71/42/24/871714224.db2.gz STIJMUYTWDWLEH-OAQYLSRUSA-N 2 1 392.547 3.569 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1)C1CC1 ZINC000539332402 871714241 /nfs/dbraw/zinc/71/42/41/871714241.db2.gz STIJMUYTWDWLEH-OAQYLSRUSA-N 2 1 392.547 3.569 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1)C1CC1 ZINC000539332402 871714254 /nfs/dbraw/zinc/71/42/54/871714254.db2.gz STIJMUYTWDWLEH-OAQYLSRUSA-N 2 1 392.547 3.569 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001169694901 871764795 /nfs/dbraw/zinc/76/47/95/871764795.db2.gz RXMFPUQCFNIHGM-QFIPXVFZSA-N 2 1 399.579 3.986 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1c1ccccc1 ZINC000447561239 871867038 /nfs/dbraw/zinc/86/70/38/871867038.db2.gz GZXUUHYJEZEJMO-BAMDZGJYSA-N 2 1 375.516 3.577 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1c1ccccc1 ZINC000447561239 871867060 /nfs/dbraw/zinc/86/70/60/871867060.db2.gz GZXUUHYJEZEJMO-BAMDZGJYSA-N 2 1 375.516 3.577 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCN1 ZINC001169831329 871900207 /nfs/dbraw/zinc/90/02/07/871900207.db2.gz QDVXLXKQIQAUAV-FGZHOGPDSA-N 2 1 397.950 3.786 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCN1 ZINC001169831329 871900215 /nfs/dbraw/zinc/90/02/15/871900215.db2.gz QDVXLXKQIQAUAV-FGZHOGPDSA-N 2 1 397.950 3.786 20 0 GHADMP COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732486 872219390 /nfs/dbraw/zinc/21/93/90/872219390.db2.gz PMPJBMBJNSIBJD-DENIHFKCSA-N 2 1 381.520 3.585 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC1 ZINC000526946744 872312479 /nfs/dbraw/zinc/31/24/79/872312479.db2.gz KWRCLGBRJVPMST-ILBGXUMGSA-N 2 1 397.607 3.868 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC000526946744 872312496 /nfs/dbraw/zinc/31/24/96/872312496.db2.gz KWRCLGBRJVPMST-ILBGXUMGSA-N 2 1 397.607 3.868 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000526946744 872312515 /nfs/dbraw/zinc/31/25/15/872312515.db2.gz KWRCLGBRJVPMST-ILBGXUMGSA-N 2 1 397.607 3.868 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037411 872350052 /nfs/dbraw/zinc/35/00/52/872350052.db2.gz QBNPXLCYNPSRJB-NZQKXSOJSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037411 872350082 /nfs/dbraw/zinc/35/00/82/872350082.db2.gz QBNPXLCYNPSRJB-NZQKXSOJSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037411 872350108 /nfs/dbraw/zinc/35/01/08/872350108.db2.gz QBNPXLCYNPSRJB-NZQKXSOJSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037411 872350129 /nfs/dbraw/zinc/35/01/29/872350129.db2.gz QBNPXLCYNPSRJB-NZQKXSOJSA-N 2 1 382.548 3.757 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)oc1C ZINC000552272968 872365393 /nfs/dbraw/zinc/36/53/93/872365393.db2.gz KVCTUERLLOYECR-UHFFFAOYSA-N 2 1 382.504 3.863 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552275968 872372506 /nfs/dbraw/zinc/37/25/06/872372506.db2.gz GOQUELIGGUXKNU-AEGPPILISA-N 2 1 377.838 3.595 20 0 GHADMP CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818724 872440000 /nfs/dbraw/zinc/44/00/00/872440000.db2.gz DMUCIMJERYNKJM-QHCPKHFHSA-N 2 1 389.547 3.920 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)c(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818724 872440006 /nfs/dbraw/zinc/44/00/06/872440006.db2.gz DMUCIMJERYNKJM-QHCPKHFHSA-N 2 1 389.547 3.920 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)c(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818724 872440012 /nfs/dbraw/zinc/44/00/12/872440012.db2.gz DMUCIMJERYNKJM-QHCPKHFHSA-N 2 1 389.547 3.920 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccccc3N(C)C)cc2)CC1 ZINC000093942559 872490517 /nfs/dbraw/zinc/49/05/17/872490517.db2.gz MZSHKVOLHPCVOL-HXUWFJFHSA-N 2 1 380.580 3.741 20 0 GHADMP Cc1ccc(CCC[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000552363030 872520153 /nfs/dbraw/zinc/52/01/53/872520153.db2.gz XPIMKDSWWXIRJJ-DEOSSOPVSA-N 2 1 393.575 3.841 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447966107 872574180 /nfs/dbraw/zinc/57/41/80/872574180.db2.gz RADABPURSAFBRT-GHTZIAJQSA-N 2 1 386.584 3.632 20 0 GHADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000540982870 872667897 /nfs/dbraw/zinc/66/78/97/872667897.db2.gz MJTHGSCIORUQPD-IFMALSPDSA-N 2 1 389.971 3.999 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2C)cc1 ZINC000541026780 872746977 /nfs/dbraw/zinc/74/69/77/872746977.db2.gz FWPJBGKCVYBQBF-HNNXBMFYSA-N 2 1 394.523 3.501 20 0 GHADMP COc1ccc2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc(=O)oc2c1 ZINC000775691374 872963741 /nfs/dbraw/zinc/96/37/41/872963741.db2.gz UGPZISIPMDGUSV-VGSWGCGISA-N 2 1 392.499 3.802 20 0 GHADMP COc1ccc2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc(=O)oc2c1 ZINC000775691374 872963747 /nfs/dbraw/zinc/96/37/47/872963747.db2.gz UGPZISIPMDGUSV-VGSWGCGISA-N 2 1 392.499 3.802 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448469982 873435490 /nfs/dbraw/zinc/43/54/90/873435490.db2.gz ZKJCDRWGYFJMCZ-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000768680419 873452513 /nfs/dbraw/zinc/45/25/13/873452513.db2.gz ZHMBVQNPFIMOAZ-AABGKKOBSA-N 2 1 397.604 3.503 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194947 873645732 /nfs/dbraw/zinc/64/57/32/873645732.db2.gz ZMNZQTZGBLOMSS-UHFFFAOYSA-N 2 1 395.975 3.895 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527946251 873791153 /nfs/dbraw/zinc/79/11/53/873791153.db2.gz HFUPLCJZVSYOHD-OXJNMPFZSA-N 2 1 379.570 3.506 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527946251 873791160 /nfs/dbraw/zinc/79/11/60/873791160.db2.gz HFUPLCJZVSYOHD-OXJNMPFZSA-N 2 1 379.570 3.506 20 0 GHADMP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550881746 882760738 /nfs/dbraw/zinc/76/07/38/882760738.db2.gz CGPPVZXKUCYRNE-NFBKMPQASA-N 2 1 379.548 3.969 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@@H]1C ZINC000769215098 873896961 /nfs/dbraw/zinc/89/69/61/873896961.db2.gz ZHDUOWRVEWCUAN-ZWKOTPCHSA-N 2 1 376.541 3.825 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@@H]1C ZINC000769215098 873896976 /nfs/dbraw/zinc/89/69/76/873896976.db2.gz ZHDUOWRVEWCUAN-ZWKOTPCHSA-N 2 1 376.541 3.825 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@@H]1C ZINC000769215098 873896993 /nfs/dbraw/zinc/89/69/93/873896993.db2.gz ZHDUOWRVEWCUAN-ZWKOTPCHSA-N 2 1 376.541 3.825 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@@H]1C ZINC000769215098 873897010 /nfs/dbraw/zinc/89/70/10/873897010.db2.gz ZHDUOWRVEWCUAN-ZWKOTPCHSA-N 2 1 376.541 3.825 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000550894646 882792802 /nfs/dbraw/zinc/79/28/02/882792802.db2.gz ITSNYNODTBKODO-HTAPYJJXSA-N 2 1 387.543 3.874 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)c3ccc(Cl)c(Cl)c3)cn2)CC1 ZINC000134257129 882815083 /nfs/dbraw/zinc/81/50/83/882815083.db2.gz LUCDCAMPKVRONP-UHFFFAOYSA-N 2 1 394.350 3.560 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307097 874343446 /nfs/dbraw/zinc/34/34/46/874343446.db2.gz YXWFATPZPNKNCP-AZUAARDMSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307097 874343466 /nfs/dbraw/zinc/34/34/66/874343466.db2.gz YXWFATPZPNKNCP-AZUAARDMSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307097 874343477 /nfs/dbraw/zinc/34/34/77/874343477.db2.gz YXWFATPZPNKNCP-AZUAARDMSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307097 874343490 /nfs/dbraw/zinc/34/34/90/874343490.db2.gz YXWFATPZPNKNCP-AZUAARDMSA-N 2 1 377.960 3.541 20 0 GHADMP COCC[NH+]1CCC([NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449105155 874477750 /nfs/dbraw/zinc/47/77/50/874477750.db2.gz HFCYVXFDFVDPBD-UHFFFAOYSA-N 2 1 385.321 3.535 20 0 GHADMP CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464781200 874479515 /nfs/dbraw/zinc/47/95/15/874479515.db2.gz SJUVNFWUVVYRDN-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000464781199 874479635 /nfs/dbraw/zinc/47/96/35/874479635.db2.gz SJUVNFWUVVYRDN-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000449094100 874493649 /nfs/dbraw/zinc/49/36/49/874493649.db2.gz ZPYIXZJCXFEBTF-OAQYLSRUSA-N 3 1 395.591 3.812 20 0 GHADMP CCCCC1([NH2+]CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001198553589 874499314 /nfs/dbraw/zinc/49/93/14/874499314.db2.gz OCLDZGKQYFAIKM-LJQANCHMSA-N 2 1 377.960 3.906 20 0 GHADMP C[C@@H](C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172783 874551491 /nfs/dbraw/zinc/55/14/91/874551491.db2.gz DMWLRNUXFQIQKP-RBUKOAKNSA-N 2 1 388.577 3.694 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528442609 874581437 /nfs/dbraw/zinc/58/14/37/874581437.db2.gz WRKPUJAVOJHCOJ-DOXZYTNZSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528442609 874581444 /nfs/dbraw/zinc/58/14/44/874581444.db2.gz WRKPUJAVOJHCOJ-DOXZYTNZSA-N 2 1 393.934 3.827 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)[C@H](C)C1 ZINC000528455653 874582794 /nfs/dbraw/zinc/58/27/94/874582794.db2.gz JSKWQYBFRFYVNG-FYJROPJGSA-N 2 1 388.596 3.802 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](C4CCCC4)C3)CC2)cc1 ZINC001198708305 874599893 /nfs/dbraw/zinc/59/98/93/874599893.db2.gz YCUWLKLEUDVDER-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H](C4CCCC4)C3)CC2)cc1 ZINC001198708305 874599901 /nfs/dbraw/zinc/59/99/01/874599901.db2.gz YCUWLKLEUDVDER-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H](C4CCCC4)C3)CC2)cc1 ZINC001198708305 874599907 /nfs/dbraw/zinc/59/99/07/874599907.db2.gz YCUWLKLEUDVDER-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000449201715 874600826 /nfs/dbraw/zinc/60/08/26/874600826.db2.gz DPKPOZLAYSWFQJ-INIZCTEOSA-N 2 1 391.522 3.809 20 0 GHADMP CCn1nnc(C)c1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449316267 874723002 /nfs/dbraw/zinc/72/30/02/874723002.db2.gz YCWMTPQWMWUYAL-VZKPYBMVSA-N 2 1 387.959 3.964 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000464894836 874734121 /nfs/dbraw/zinc/73/41/21/874734121.db2.gz PRCUFTAAMZOWGJ-URXFXBBRSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000464894836 874734130 /nfs/dbraw/zinc/73/41/30/874734130.db2.gz PRCUFTAAMZOWGJ-URXFXBBRSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000464894836 874734137 /nfs/dbraw/zinc/73/41/37/874734137.db2.gz PRCUFTAAMZOWGJ-URXFXBBRSA-N 2 1 391.559 3.774 20 0 GHADMP Cn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(-c2cccs2)n1 ZINC001199127104 874812677 /nfs/dbraw/zinc/81/26/77/874812677.db2.gz NWYGOHJNMXLULM-UHFFFAOYSA-N 2 1 380.561 3.945 20 0 GHADMP CCn1nnc(C)c1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416911 874820169 /nfs/dbraw/zinc/82/01/69/874820169.db2.gz WEQBBAFHVAGFFR-QFIPXVFZSA-N 2 1 381.568 3.729 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC001199238239 874867626 /nfs/dbraw/zinc/86/76/26/874867626.db2.gz MCTZMPBEARRCNX-UHFFFAOYSA-N 2 1 390.572 3.541 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC001199275027 874870866 /nfs/dbraw/zinc/87/08/66/874870866.db2.gz BTVVMDNFVMCGPO-CQSZACIVSA-N 2 1 377.330 3.836 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC001199275027 874870879 /nfs/dbraw/zinc/87/08/79/874870879.db2.gz BTVVMDNFVMCGPO-CQSZACIVSA-N 2 1 377.330 3.836 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000449502592 874965391 /nfs/dbraw/zinc/96/53/91/874965391.db2.gz OVZAOQFXIHAHDW-JOCHJYFZSA-N 2 1 383.580 3.720 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000449502592 874965399 /nfs/dbraw/zinc/96/53/99/874965399.db2.gz OVZAOQFXIHAHDW-JOCHJYFZSA-N 2 1 383.580 3.720 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000449502592 874965404 /nfs/dbraw/zinc/96/54/04/874965404.db2.gz OVZAOQFXIHAHDW-JOCHJYFZSA-N 2 1 383.580 3.720 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000449502592 874965411 /nfs/dbraw/zinc/96/54/11/874965411.db2.gz OVZAOQFXIHAHDW-JOCHJYFZSA-N 2 1 383.580 3.720 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000303104788 875018784 /nfs/dbraw/zinc/01/87/84/875018784.db2.gz JFGKHCZNLMVNGD-IBGZPJMESA-N 2 1 394.563 3.600 20 0 GHADMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC000303108436 875019254 /nfs/dbraw/zinc/01/92/54/875019254.db2.gz JTDGYVUAZCDRHF-UHFFFAOYSA-N 2 1 375.582 3.829 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449597747 875101356 /nfs/dbraw/zinc/10/13/56/875101356.db2.gz ZTFDOJTZDQIYBM-AREVGRJGSA-N 2 1 394.563 3.531 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542177684 875123749 /nfs/dbraw/zinc/12/37/49/875123749.db2.gz UQXHFRNGOLODLB-FPOVZHCZSA-N 2 1 395.950 3.992 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000449672914 875245800 /nfs/dbraw/zinc/24/58/00/875245800.db2.gz YEUPXZYCIXZTFQ-STZQEDGTSA-N 2 1 375.520 3.579 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000449672914 875245818 /nfs/dbraw/zinc/24/58/18/875245818.db2.gz YEUPXZYCIXZTFQ-STZQEDGTSA-N 2 1 375.520 3.579 20 0 GHADMP C[C@H](CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccccc1 ZINC001200942508 875429778 /nfs/dbraw/zinc/42/97/78/875429778.db2.gz TTXKQNWQDFNUGP-QGZVFWFLSA-N 2 1 392.503 3.806 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCC(Cc3ccccc3)CC1)CC2 ZINC000465378423 875597741 /nfs/dbraw/zinc/59/77/41/875597741.db2.gz RQUNSLIPPJIUJX-ZTCOLXNVSA-N 2 1 397.607 3.803 20 0 GHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001201485954 875715652 /nfs/dbraw/zinc/71/56/52/875715652.db2.gz FIQVRBWKTBLBLL-DNVJHFABSA-N 2 1 377.617 3.630 20 0 GHADMP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001201485954 875715662 /nfs/dbraw/zinc/71/56/62/875715662.db2.gz FIQVRBWKTBLBLL-DNVJHFABSA-N 2 1 377.617 3.630 20 0 GHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001201485954 875715668 /nfs/dbraw/zinc/71/56/68/875715668.db2.gz FIQVRBWKTBLBLL-DNVJHFABSA-N 2 1 377.617 3.630 20 0 GHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001201487745 875716686 /nfs/dbraw/zinc/71/66/86/875716686.db2.gz TXDJFAZKHUPRIO-LGKPFJOYSA-N 2 1 385.600 3.835 20 0 GHADMP CC(C)=CCC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001201487745 875716696 /nfs/dbraw/zinc/71/66/96/875716696.db2.gz TXDJFAZKHUPRIO-LGKPFJOYSA-N 2 1 385.600 3.835 20 0 GHADMP CC(C)=CCC[C@@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001201487745 875716704 /nfs/dbraw/zinc/71/67/04/875716704.db2.gz TXDJFAZKHUPRIO-LGKPFJOYSA-N 2 1 385.600 3.835 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(Nc3cccc(C[NH+]4CCCCC4)c3)cc2)CC1 ZINC001201611531 875787250 /nfs/dbraw/zinc/78/72/50/875787250.db2.gz BJDTVWFTRCDCHF-UHFFFAOYSA-N 2 1 392.547 3.804 20 0 GHADMP CC[C@@H]1C[C@H](C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CCO1 ZINC001201742668 875838429 /nfs/dbraw/zinc/83/84/29/875838429.db2.gz RZYOLALFKGVOPL-IRMYBRCSSA-N 2 1 388.596 3.991 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000858244722 882970879 /nfs/dbraw/zinc/97/08/79/882970879.db2.gz FRLXGSFNORTOJE-QGZVFWFLSA-N 2 1 378.923 3.854 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000858251564 882978295 /nfs/dbraw/zinc/97/82/95/882978295.db2.gz SICABIGTNYTSNZ-QFIPXVFZSA-N 2 1 377.532 3.956 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000858251564 882978301 /nfs/dbraw/zinc/97/83/01/882978301.db2.gz SICABIGTNYTSNZ-QFIPXVFZSA-N 2 1 377.532 3.956 20 0 GHADMP CC(C)=CCC[C@H](C)CCN1CCn2c(CN3CCN(C)CC3)cnc2[C@@H]1C ZINC001201971498 875959952 /nfs/dbraw/zinc/95/99/52/875959952.db2.gz FFEPOTXDUKDRKI-SFTDATJTSA-N 2 1 387.616 3.780 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1Br ZINC000786222284 876568151 /nfs/dbraw/zinc/56/81/51/876568151.db2.gz VADILVOCNYHHOR-UHFFFAOYSA-N 2 1 382.346 3.715 20 0 GHADMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192933994 883050338 /nfs/dbraw/zinc/05/03/38/883050338.db2.gz OJNXJBHUSCCCGJ-IBGZPJMESA-N 2 1 376.504 3.697 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000173899788 876708613 /nfs/dbraw/zinc/70/86/13/876708613.db2.gz JEMSGLNUGINORF-LJQANCHMSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000173899788 876708625 /nfs/dbraw/zinc/70/86/25/876708625.db2.gz JEMSGLNUGINORF-LJQANCHMSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000173899788 876708635 /nfs/dbraw/zinc/70/86/35/876708635.db2.gz JEMSGLNUGINORF-LJQANCHMSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000173899788 876708645 /nfs/dbraw/zinc/70/86/45/876708645.db2.gz JEMSGLNUGINORF-LJQANCHMSA-N 2 1 398.551 3.585 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3c(C)c(C)[nH+]c4ccccc43)C2)CC1 ZINC000450774659 876908460 /nfs/dbraw/zinc/90/84/60/876908460.db2.gz ORZCAFARPJOPQP-NRFANRHFSA-N 2 1 394.563 3.622 20 0 GHADMP Brc1ccc(C2CC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000786843040 877008421 /nfs/dbraw/zinc/00/84/21/877008421.db2.gz YBZFIZJCVVNTSV-RRWXTXHCSA-N 2 1 393.369 3.928 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001129679751 883089652 /nfs/dbraw/zinc/08/96/52/883089652.db2.gz QOYFGFUEHOPXMI-TZRRMPRUSA-N 2 1 397.607 3.866 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001129679751 883089670 /nfs/dbraw/zinc/08/96/70/883089670.db2.gz QOYFGFUEHOPXMI-TZRRMPRUSA-N 2 1 397.607 3.866 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001129679751 883089684 /nfs/dbraw/zinc/08/96/84/883089684.db2.gz QOYFGFUEHOPXMI-TZRRMPRUSA-N 2 1 397.607 3.866 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000850582764 877056749 /nfs/dbraw/zinc/05/67/49/877056749.db2.gz LCLHVBSBPVJVBG-BUXKBTBVSA-N 2 1 375.394 3.982 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000174520904 877070404 /nfs/dbraw/zinc/07/04/04/877070404.db2.gz XZTNXRWXMRBUDW-ICSRJNTNSA-N 2 1 392.613 3.552 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000174520919 877070878 /nfs/dbraw/zinc/07/08/78/877070878.db2.gz XZTNXRWXMRBUDW-QUCCMNQESA-N 2 1 392.613 3.552 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000787225281 877279087 /nfs/dbraw/zinc/27/90/87/877279087.db2.gz CTMMTYMSAFBTSX-FQEVSTJZSA-N 2 1 386.584 3.862 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccccc1 ZINC000642619067 912221012 /nfs/dbraw/zinc/22/10/12/912221012.db2.gz CRIFNVNZUYVSCP-VQTJNVASSA-N 2 1 388.943 3.545 20 0 GHADMP Clc1cc(Br)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241894 877351448 /nfs/dbraw/zinc/35/14/48/877351448.db2.gz ROMYOUFASRFSRB-MRXNPFEDSA-N 2 1 387.749 3.693 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000175099176 877466429 /nfs/dbraw/zinc/46/64/29/877466429.db2.gz XCQDHZXOKZRSJQ-KRWDZBQOSA-N 2 1 392.588 3.593 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000237600253 877665710 /nfs/dbraw/zinc/66/57/10/877665710.db2.gz UXUHUFMNYDCBLA-CYBMUJFWSA-N 2 1 388.313 3.770 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000492911703 877732953 /nfs/dbraw/zinc/73/29/53/877732953.db2.gz MLCNSWIPILRLNC-UHFFFAOYSA-N 2 1 389.490 3.826 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC000615446876 877746917 /nfs/dbraw/zinc/74/69/17/877746917.db2.gz XCLOBAZVMIPUSC-OAQYLSRUSA-N 2 1 375.601 3.897 20 0 GHADMP CN(C)c1ncnc(Cl)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000788019085 877778649 /nfs/dbraw/zinc/77/86/49/877778649.db2.gz ZXLCGAUGNSFSQI-UHFFFAOYSA-N 2 1 387.959 3.540 20 0 GHADMP CN(C)c1ncnc(Cl)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000788019085 877778658 /nfs/dbraw/zinc/77/86/58/877778658.db2.gz ZXLCGAUGNSFSQI-UHFFFAOYSA-N 2 1 387.959 3.540 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000551791586 877834786 /nfs/dbraw/zinc/83/47/86/877834786.db2.gz RQCWVOXBBZMELB-FQHFKFEBSA-N 2 1 394.559 3.660 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000551791586 877834805 /nfs/dbraw/zinc/83/48/05/877834805.db2.gz RQCWVOXBBZMELB-FQHFKFEBSA-N 2 1 394.559 3.660 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000551898483 877979323 /nfs/dbraw/zinc/97/93/23/877979323.db2.gz NKCFRNFNNTYFQC-MRXNPFEDSA-N 2 1 397.548 3.973 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000551898483 877979328 /nfs/dbraw/zinc/97/93/28/877979328.db2.gz NKCFRNFNNTYFQC-MRXNPFEDSA-N 2 1 397.548 3.973 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530552892 878046504 /nfs/dbraw/zinc/04/65/04/878046504.db2.gz SVRKSLNDRHBKFU-IBGZPJMESA-N 2 1 385.309 3.923 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1c[nH+]ccc1N(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC001183148967 912307418 /nfs/dbraw/zinc/30/74/18/912307418.db2.gz MXZHVMRXVTVGBH-GOSISDBHSA-N 2 1 398.551 3.828 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000245544818 878080912 /nfs/dbraw/zinc/08/09/12/878080912.db2.gz BSAXEHBTVLRANU-WOJBJXKFSA-N 2 1 386.927 3.969 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000245544818 878080927 /nfs/dbraw/zinc/08/09/27/878080927.db2.gz BSAXEHBTVLRANU-WOJBJXKFSA-N 2 1 386.927 3.969 20 0 GHADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000530626428 878222148 /nfs/dbraw/zinc/22/21/48/878222148.db2.gz ATNBOYICNXOFFZ-XMMPIXPASA-N 2 1 377.532 3.534 20 0 GHADMP CNC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000530626428 878222161 /nfs/dbraw/zinc/22/21/61/878222161.db2.gz ATNBOYICNXOFFZ-XMMPIXPASA-N 2 1 377.532 3.534 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000530626428 878222181 /nfs/dbraw/zinc/22/21/81/878222181.db2.gz ATNBOYICNXOFFZ-XMMPIXPASA-N 2 1 377.532 3.534 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000530626428 878222199 /nfs/dbraw/zinc/22/21/99/878222199.db2.gz ATNBOYICNXOFFZ-XMMPIXPASA-N 2 1 377.532 3.534 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000788817605 878352625 /nfs/dbraw/zinc/35/26/25/878352625.db2.gz LDEYNJSVJZAVDR-RBUKOAKNSA-N 2 1 376.545 3.739 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001183186978 912338134 /nfs/dbraw/zinc/33/81/34/912338134.db2.gz CRWOEVDSAXIAKX-SFHLNBCPSA-N 2 1 385.552 3.954 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245680675 878365133 /nfs/dbraw/zinc/36/51/33/878365133.db2.gz ITQYQZBBMXWFBP-MZADTFQBSA-N 2 1 396.531 3.998 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245680675 878365148 /nfs/dbraw/zinc/36/51/48/878365148.db2.gz ITQYQZBBMXWFBP-MZADTFQBSA-N 2 1 396.531 3.998 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(Cl)cc1 ZINC000537842870 878376959 /nfs/dbraw/zinc/37/69/59/878376959.db2.gz FKGGJBIHLSHTPZ-UHFFFAOYSA-N 2 1 386.927 3.912 20 0 GHADMP CC(C)(C)OC(=O)NC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000180040624 878421518 /nfs/dbraw/zinc/42/15/18/878421518.db2.gz BWPANWZLKIKMRM-UHFFFAOYSA-N 2 1 387.568 3.860 20 0 GHADMP CC(C)(C)OC(=O)NC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000180040624 878421530 /nfs/dbraw/zinc/42/15/30/878421530.db2.gz BWPANWZLKIKMRM-UHFFFAOYSA-N 2 1 387.568 3.860 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000616083471 878486632 /nfs/dbraw/zinc/48/66/32/878486632.db2.gz SXCZVUJRJBDMLS-LJQANCHMSA-N 2 1 392.563 3.554 20 0 GHADMP C[C@]12CC[N@@H+](CCCC3CC[NH2+]CC3)C[C@H]1C2(Br)Br ZINC000852754816 878581200 /nfs/dbraw/zinc/58/12/00/878581200.db2.gz MQSOXBPZANAABM-KGLIPLIRSA-N 2 1 394.195 3.594 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530839590 878586257 /nfs/dbraw/zinc/58/62/57/878586257.db2.gz PLBCBJSKYSXKDP-XLIONFOSSA-N 2 1 394.991 3.897 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245779751 878587297 /nfs/dbraw/zinc/58/72/97/878587297.db2.gz YRASGOSXZZIXIR-NEWJYFPISA-N 2 1 395.591 3.953 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001183282657 912392709 /nfs/dbraw/zinc/39/27/09/912392709.db2.gz WEPFNOUEKDTGOD-QUCCMNQESA-N 2 1 389.584 3.895 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000178210565 879044167 /nfs/dbraw/zinc/04/41/67/879044167.db2.gz RZOISUJIEUCUPZ-ICSRJNTNSA-N 2 1 385.552 3.673 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000178210565 879044182 /nfs/dbraw/zinc/04/41/82/879044182.db2.gz RZOISUJIEUCUPZ-ICSRJNTNSA-N 2 1 385.552 3.673 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3CC[NH2+][C@H]3C2)n1 ZINC000643031720 912419170 /nfs/dbraw/zinc/41/91/70/912419170.db2.gz WORPNBNLEDVNIR-AEFFLSMTSA-N 2 1 393.560 3.608 20 0 GHADMP O[C@@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1)C[NH+]1CCCC1 ZINC000238065748 879127469 /nfs/dbraw/zinc/12/74/69/879127469.db2.gz QLGBHOXIFHOHBT-INIZCTEOSA-N 2 1 395.366 3.724 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538274677 879166500 /nfs/dbraw/zinc/16/65/00/879166500.db2.gz XTJRCURHQMORIP-CUXKYVRBSA-N 2 1 385.596 3.931 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000246301031 879362813 /nfs/dbraw/zinc/36/28/13/879362813.db2.gz DBEDDKWAMAIAJV-WFASDCNBSA-N 2 1 379.854 3.843 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)c2cc1C ZINC000246320770 879387828 /nfs/dbraw/zinc/38/78/28/879387828.db2.gz GZLIJSUBBUVHKE-BHDDXSALSA-N 2 1 398.595 3.600 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)c2cc1C ZINC000246320770 879387838 /nfs/dbraw/zinc/38/78/38/879387838.db2.gz GZLIJSUBBUVHKE-BHDDXSALSA-N 2 1 398.595 3.600 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)c2cc1C ZINC000246320770 879387845 /nfs/dbraw/zinc/38/78/45/879387845.db2.gz GZLIJSUBBUVHKE-BHDDXSALSA-N 2 1 398.595 3.600 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000643081359 912451577 /nfs/dbraw/zinc/45/15/77/912451577.db2.gz PRJWODNJOXRZNP-OXQOHEQNSA-N 2 1 393.503 3.807 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000538393715 879411320 /nfs/dbraw/zinc/41/13/20/879411320.db2.gz QLXBOBFQSFQQAA-FQEVSTJZSA-N 2 1 377.548 3.835 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)s1 ZINC000246366372 879468395 /nfs/dbraw/zinc/46/83/95/879468395.db2.gz IXNMDXMIJKYECO-NWANDNLSSA-N 2 1 387.387 3.929 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000246405483 879521980 /nfs/dbraw/zinc/52/19/80/879521980.db2.gz RUUBPLFMPHNCIN-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cncc(-c2ccccc2)n1 ZINC000538511588 879636160 /nfs/dbraw/zinc/63/61/60/879636160.db2.gz XMNFSOODCSHSMD-UHFFFAOYSA-N 2 1 393.579 3.776 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378332 879690703 /nfs/dbraw/zinc/69/07/03/879690703.db2.gz BFCKNAXZCMUBCE-UFYCRDLUSA-N 2 1 379.548 3.960 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378332 879690710 /nfs/dbraw/zinc/69/07/10/879690710.db2.gz BFCKNAXZCMUBCE-UFYCRDLUSA-N 2 1 379.548 3.960 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H]1C ZINC000531378332 879690714 /nfs/dbraw/zinc/69/07/14/879690714.db2.gz BFCKNAXZCMUBCE-UFYCRDLUSA-N 2 1 379.548 3.960 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000790478592 879752983 /nfs/dbraw/zinc/75/29/83/879752983.db2.gz PZPCCRDZSYHYTD-OAQYLSRUSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000246722533 879775155 /nfs/dbraw/zinc/77/51/55/879775155.db2.gz FTWWVTJGRBDMNO-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000246722533 879775168 /nfs/dbraw/zinc/77/51/68/879775168.db2.gz FTWWVTJGRBDMNO-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000246722533 879775170 /nfs/dbraw/zinc/77/51/70/879775170.db2.gz FTWWVTJGRBDMNO-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443477 879825749 /nfs/dbraw/zinc/82/57/49/879825749.db2.gz AOYTWBCXZSQJIL-XZOQPEGZSA-N 2 1 385.596 3.869 20 0 GHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000247236829 879950803 /nfs/dbraw/zinc/95/08/03/879950803.db2.gz YRNLQJAPWZXOGC-KSZLIROESA-N 2 1 391.987 3.901 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000247236829 879950818 /nfs/dbraw/zinc/95/08/18/879950818.db2.gz YRNLQJAPWZXOGC-KSZLIROESA-N 2 1 391.987 3.901 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000247299122 879964112 /nfs/dbraw/zinc/96/41/12/879964112.db2.gz GVXUTIXEMGUTEX-URVUXULASA-N 2 1 397.588 3.912 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000247299122 879964123 /nfs/dbraw/zinc/96/41/23/879964123.db2.gz GVXUTIXEMGUTEX-URVUXULASA-N 2 1 397.588 3.912 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000247450736 880000888 /nfs/dbraw/zinc/00/08/88/880000888.db2.gz HLKLJHQWGMOPNN-BBTUJRGHSA-N 2 1 380.960 3.586 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286059008 912552010 /nfs/dbraw/zinc/55/20/10/912552010.db2.gz KORSQIKJZRLUGH-YADHBBJMSA-N 2 1 382.552 3.778 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286059008 912552014 /nfs/dbraw/zinc/55/20/14/912552014.db2.gz KORSQIKJZRLUGH-YADHBBJMSA-N 2 1 382.552 3.778 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286059008 912552026 /nfs/dbraw/zinc/55/20/26/912552026.db2.gz KORSQIKJZRLUGH-YADHBBJMSA-N 2 1 382.552 3.778 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677547 880305607 /nfs/dbraw/zinc/30/56/07/880305607.db2.gz FZTBEYUNDHKZEN-DBXWQHBBSA-N 2 1 387.593 3.827 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531705593 880333142 /nfs/dbraw/zinc/33/31/42/880333142.db2.gz PGGYYVUATCEGOJ-ICSRJNTNSA-N 2 1 377.532 3.787 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531705594 880333249 /nfs/dbraw/zinc/33/32/49/880333249.db2.gz PGGYYVUATCEGOJ-QUCCMNQESA-N 2 1 377.532 3.787 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453084287 880441463 /nfs/dbraw/zinc/44/14/63/880441463.db2.gz DJHQSDMMSAKAPG-RBZQAINGSA-N 3 1 385.596 3.520 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453095844 880460965 /nfs/dbraw/zinc/46/09/65/880460965.db2.gz VCPXAQNLOHAUME-YTFSRNRJSA-N 2 1 383.580 3.666 20 0 GHADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000185212582 880509315 /nfs/dbraw/zinc/50/93/15/880509315.db2.gz LMQLCCOABFYPDU-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP CN(CC[NH+](C)C1CC1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000185212582 880509330 /nfs/dbraw/zinc/50/93/30/880509330.db2.gz LMQLCCOABFYPDU-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP CN(CC[NH+](C)C1CC1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000185212582 880509347 /nfs/dbraw/zinc/50/93/47/880509347.db2.gz LMQLCCOABFYPDU-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453153023 880534231 /nfs/dbraw/zinc/53/42/31/880534231.db2.gz YCTWYMNUTLTXQJ-VSKRKVRLSA-N 2 1 395.547 3.741 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC000453255734 880689647 /nfs/dbraw/zinc/68/96/47/880689647.db2.gz LZVMIEGTQNKIEW-XLIONFOSSA-N 2 1 381.586 3.609 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000531932840 880783440 /nfs/dbraw/zinc/78/34/40/880783440.db2.gz FHRZQJGJLCILDF-WIYYLYMNSA-N 2 1 395.576 3.573 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000531932026 880785121 /nfs/dbraw/zinc/78/51/21/880785121.db2.gz AGCKVXIYFIUESL-GHTZIAJQSA-N 2 1 395.576 3.573 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@H]2CCC[C@H]21 ZINC000453334588 880803860 /nfs/dbraw/zinc/80/38/60/880803860.db2.gz FCLJRFAUVFATSI-QSRMWPQZSA-N 2 1 386.490 3.606 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000791975220 880812995 /nfs/dbraw/zinc/81/29/95/880812995.db2.gz QENZKCKVAZMRJC-FPOVZHCZSA-N 2 1 381.520 3.878 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC(=O)Nc3cccc(F)c3)CCCC2)CC1 ZINC000531975129 880855151 /nfs/dbraw/zinc/85/51/51/880855151.db2.gz IQELJXVAAVOBFL-QGZVFWFLSA-N 2 1 391.531 3.556 20 0 GHADMP CCC[NH+]1CCN(c2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2Cl)CC1 ZINC000776870209 880917738 /nfs/dbraw/zinc/91/77/38/880917738.db2.gz JOOXVPYJLXVIBV-OALUTQOASA-N 2 1 376.976 3.911 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OCC ZINC000532015853 880925707 /nfs/dbraw/zinc/92/57/07/880925707.db2.gz APHFHKREFVCHFS-NHCUHLMSSA-N 2 1 390.568 3.732 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1ncc(Br)cc1Br)C1CC1 ZINC000453595004 881065910 /nfs/dbraw/zinc/06/59/10/881065910.db2.gz JKNHFUJBAJONRG-UHFFFAOYSA-N 2 1 391.151 3.571 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1)C1CC1 ZINC000453598164 881071668 /nfs/dbraw/zinc/07/16/68/881071668.db2.gz PFWPKNXSPRQDEC-UHFFFAOYSA-N 2 1 377.330 3.803 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000120255238 881325159 /nfs/dbraw/zinc/32/51/59/881325159.db2.gz SZWDVZDURYYIGJ-HXUWFJFHSA-N 2 1 390.572 3.570 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000858496971 883150926 /nfs/dbraw/zinc/15/09/26/883150926.db2.gz WSWBLKHDPSOMRO-ULPXVVAUSA-N 2 1 377.532 3.955 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000551084317 883258015 /nfs/dbraw/zinc/25/80/15/883258015.db2.gz WQHANHLZKAJJHW-DHIUTWEWSA-N 2 1 398.595 3.918 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000551084317 883258027 /nfs/dbraw/zinc/25/80/27/883258027.db2.gz WQHANHLZKAJJHW-DHIUTWEWSA-N 2 1 398.595 3.918 20 0 GHADMP Fc1ccc(Cl)c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211910534 883333586 /nfs/dbraw/zinc/33/35/86/883333586.db2.gz FUUANHKGJUXRIY-KRWDZBQOSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc(Cl)c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211910534 883333602 /nfs/dbraw/zinc/33/36/02/883333602.db2.gz FUUANHKGJUXRIY-KRWDZBQOSA-N 2 1 398.869 3.718 20 0 GHADMP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000476987032 883543321 /nfs/dbraw/zinc/54/33/21/883543321.db2.gz QDZFKOSVFZQXRT-OALUTQOASA-N 2 1 375.601 3.752 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000455888836 883587978 /nfs/dbraw/zinc/58/79/78/883587978.db2.gz XZFALAOHQCAWON-IFMALSPDSA-N 2 1 378.520 3.632 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)cc1 ZINC000859214608 883666929 /nfs/dbraw/zinc/66/69/29/883666929.db2.gz PRSBEZIKXOQJEX-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214599 883667783 /nfs/dbraw/zinc/66/77/83/883667783.db2.gz PQMORYWPUMUMKX-HNNXBMFYSA-N 2 1 391.462 3.809 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214599 883667787 /nfs/dbraw/zinc/66/77/87/883667787.db2.gz PQMORYWPUMUMKX-HNNXBMFYSA-N 2 1 391.462 3.809 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000194169221 883705582 /nfs/dbraw/zinc/70/55/82/883705582.db2.gz BNXWPLMRIDQWQY-FGZHOGPDSA-N 2 1 388.939 3.774 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000194169221 883705599 /nfs/dbraw/zinc/70/55/99/883705599.db2.gz BNXWPLMRIDQWQY-FGZHOGPDSA-N 2 1 388.939 3.774 20 0 GHADMP CCC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000551386786 883780424 /nfs/dbraw/zinc/78/04/24/883780424.db2.gz DCSAIPQLADLBFG-AFXVXQJMSA-N 2 1 386.580 3.803 20 0 GHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000494881240 884108258 /nfs/dbraw/zinc/10/82/58/884108258.db2.gz VZCLQBSWFXQNKB-URXFXBBRSA-N 2 1 398.522 3.915 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826526 884137785 /nfs/dbraw/zinc/13/77/85/884137785.db2.gz BTNVHGHRUOUTCZ-HXUWFJFHSA-N 2 1 376.545 3.885 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826526 884137789 /nfs/dbraw/zinc/13/77/89/884137789.db2.gz BTNVHGHRUOUTCZ-HXUWFJFHSA-N 2 1 376.545 3.885 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000460344822 884923133 /nfs/dbraw/zinc/92/31/33/884923133.db2.gz DOBLVERLBCKXGI-RTBURBONSA-N 2 1 383.580 3.666 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH+](Cc2ccccc2)C1 ZINC001130730850 884976114 /nfs/dbraw/zinc/97/61/14/884976114.db2.gz SWAPOKLVFPDJLQ-HXUWFJFHSA-N 2 1 399.501 3.535 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001130730850 884976129 /nfs/dbraw/zinc/97/61/29/884976129.db2.gz SWAPOKLVFPDJLQ-HXUWFJFHSA-N 2 1 399.501 3.535 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001130730850 884976148 /nfs/dbraw/zinc/97/61/48/884976148.db2.gz SWAPOKLVFPDJLQ-HXUWFJFHSA-N 2 1 399.501 3.535 20 0 GHADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000106484034 885070837 /nfs/dbraw/zinc/07/08/37/885070837.db2.gz MDZFMFWPSPBPDU-AWEZNQCLSA-N 2 1 382.335 3.979 20 0 GHADMP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498703582 885413123 /nfs/dbraw/zinc/41/31/23/885413123.db2.gz BULPDBGZJUFQNJ-CTNGQTDRSA-N 2 1 386.584 3.509 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000072072535 885523048 /nfs/dbraw/zinc/52/30/48/885523048.db2.gz LTQQMACCVABMPQ-FGZHOGPDSA-N 2 1 395.547 3.753 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000108706265 885826767 /nfs/dbraw/zinc/82/67/67/885826767.db2.gz ZTWVOTAZOTUYHN-XMMPIXPASA-N 2 1 391.559 3.953 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000108706269 885827202 /nfs/dbraw/zinc/82/72/02/885827202.db2.gz ZTWVOTAZOTUYHN-DEOSSOPVSA-N 2 1 391.559 3.953 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3Cl)C2)CC1 ZINC000498850060 885935075 /nfs/dbraw/zinc/93/50/75/885935075.db2.gz NJNZJETZYPVLMY-OALUTQOASA-N 2 1 380.960 3.524 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3Cl)C2)CC1 ZINC000498850060 885935083 /nfs/dbraw/zinc/93/50/83/885935083.db2.gz NJNZJETZYPVLMY-OALUTQOASA-N 2 1 380.960 3.524 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)/C=C/c3ccc(SC)s3)CC2)CC1 ZINC000862019253 886055147 /nfs/dbraw/zinc/05/51/47/886055147.db2.gz ONOQLVHTZFPOQY-FNORWQNLSA-N 2 1 393.622 3.502 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)/C=C/c3ccc(SC)s3)CC2)CC1 ZINC000862019253 886055187 /nfs/dbraw/zinc/05/51/87/886055187.db2.gz ONOQLVHTZFPOQY-FNORWQNLSA-N 2 1 393.622 3.502 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808154148 886061056 /nfs/dbraw/zinc/06/10/56/886061056.db2.gz OPPACYRACOSUML-NRFANRHFSA-N 2 1 380.536 3.532 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808154148 886061073 /nfs/dbraw/zinc/06/10/73/886061073.db2.gz OPPACYRACOSUML-NRFANRHFSA-N 2 1 380.536 3.532 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1CCN(c2ccccc2)C1=O ZINC000808175752 886068093 /nfs/dbraw/zinc/06/80/93/886068093.db2.gz ULTGOMGAQQNCMC-UHFFFAOYSA-N 2 1 393.535 3.520 20 0 GHADMP C[C@@H]1CC[N@@H+](C)CCN1c1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC000498919942 886095996 /nfs/dbraw/zinc/09/59/96/886095996.db2.gz XIBHQFJDWXFSFD-MRXNPFEDSA-N 2 1 395.576 3.950 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001168489738 886148572 /nfs/dbraw/zinc/14/85/72/886148572.db2.gz UOAATWGCBMAMIM-ZKZIVCHGSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001168489738 886148580 /nfs/dbraw/zinc/14/85/80/886148580.db2.gz UOAATWGCBMAMIM-ZKZIVCHGSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001168489738 886148591 /nfs/dbraw/zinc/14/85/91/886148591.db2.gz UOAATWGCBMAMIM-ZKZIVCHGSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001168489738 886148600 /nfs/dbraw/zinc/14/86/00/886148600.db2.gz UOAATWGCBMAMIM-ZKZIVCHGSA-N 2 1 396.554 3.828 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)c(I)c1)C1(C)CC[NH2+]CC1 ZINC001236226979 886236569 /nfs/dbraw/zinc/23/65/69/886236569.db2.gz VOLQUFGPMWVVIP-UHFFFAOYSA-N 2 1 378.685 3.519 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000862248037 886250562 /nfs/dbraw/zinc/25/05/62/886250562.db2.gz PYVQXICKXRWOJR-IRXDYDNUSA-N 2 1 387.515 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000862248037 886250580 /nfs/dbraw/zinc/25/05/80/886250580.db2.gz PYVQXICKXRWOJR-IRXDYDNUSA-N 2 1 387.515 3.581 20 0 GHADMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000155084593 886324287 /nfs/dbraw/zinc/32/42/87/886324287.db2.gz MJZYTPYTXXUUKD-JOCHJYFZSA-N 2 1 390.930 3.983 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858425 886478651 /nfs/dbraw/zinc/47/86/51/886478651.db2.gz JRUZBAPZFQMDMP-FQEVSTJZSA-N 2 1 379.548 3.556 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858425 886478655 /nfs/dbraw/zinc/47/86/55/886478655.db2.gz JRUZBAPZFQMDMP-FQEVSTJZSA-N 2 1 379.548 3.556 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072858425 886478661 /nfs/dbraw/zinc/47/86/61/886478661.db2.gz JRUZBAPZFQMDMP-FQEVSTJZSA-N 2 1 379.548 3.556 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429549852 886482096 /nfs/dbraw/zinc/48/20/96/886482096.db2.gz VFYFHCIYMSKZOL-VDKIKQQVSA-N 2 1 396.575 3.878 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001168252065 886746769 /nfs/dbraw/zinc/74/67/69/886746769.db2.gz GNKSEGPZDFBYJV-UHFFFAOYSA-N 2 1 376.661 3.802 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(Br)ncc1F ZINC000762735902 886772493 /nfs/dbraw/zinc/77/24/93/886772493.db2.gz QFZWQWHISOPAQW-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c2cc1C(C)C ZINC000808781926 886772797 /nfs/dbraw/zinc/77/27/97/886772797.db2.gz XRQBWPKPLZPKAO-UHFFFAOYSA-N 2 1 387.568 3.540 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863262543 886977270 /nfs/dbraw/zinc/97/72/70/886977270.db2.gz GTEGELOTBQSWKP-QFIPXVFZSA-N 2 1 394.519 3.771 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000762915626 887088228 /nfs/dbraw/zinc/08/82/28/887088228.db2.gz BHPYDDBIQGHFBG-RBUKOAKNSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000762915626 887088240 /nfs/dbraw/zinc/08/82/40/887088240.db2.gz BHPYDDBIQGHFBG-RBUKOAKNSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1nccn1CCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000762925914 887108327 /nfs/dbraw/zinc/10/83/27/887108327.db2.gz JAAULQJWTURWSJ-DEOSSOPVSA-N 2 1 375.516 3.918 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000762925914 887108334 /nfs/dbraw/zinc/10/83/34/887108334.db2.gz JAAULQJWTURWSJ-DEOSSOPVSA-N 2 1 375.516 3.918 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000762925914 887108348 /nfs/dbraw/zinc/10/83/48/887108348.db2.gz JAAULQJWTURWSJ-DEOSSOPVSA-N 2 1 375.516 3.918 20 0 GHADMP c1csc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000863654746 887264846 /nfs/dbraw/zinc/26/48/46/887264846.db2.gz MPNDXGJBPDOAME-FHWLQOOXSA-N 2 1 394.544 3.981 20 0 GHADMP CC(C)[C@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)n1 ZINC000863656765 887266016 /nfs/dbraw/zinc/26/60/16/887266016.db2.gz NORBLPGGQCLGSA-ZCNNSNEGSA-N 2 1 377.492 3.504 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000459321287 887330786 /nfs/dbraw/zinc/33/07/86/887330786.db2.gz ZTKBKWPCOIHIKT-HSZRJFAPSA-N 2 1 377.488 3.628 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000459321287 887330804 /nfs/dbraw/zinc/33/08/04/887330804.db2.gz ZTKBKWPCOIHIKT-HSZRJFAPSA-N 2 1 377.488 3.628 20 0 GHADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)CC(C)(C)C ZINC001170581953 887514100 /nfs/dbraw/zinc/51/41/00/887514100.db2.gz IQQFZSBDXYDGRG-IBGZPJMESA-N 2 1 379.976 3.961 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(Cl)c(I)c1 ZINC001235717805 887595761 /nfs/dbraw/zinc/59/57/61/887595761.db2.gz MQYFAKWOQVGMPB-UHFFFAOYSA-N 2 1 392.712 3.766 20 0 GHADMP C[NH+](C)[C@@H](CNc1ncccc1N1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC001170585544 887717831 /nfs/dbraw/zinc/71/78/31/887717831.db2.gz MXNZAKXTUIHOQJ-SFHVURJKSA-N 2 1 394.350 3.513 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001184403163 913186180 /nfs/dbraw/zinc/18/61/80/913186180.db2.gz KMZQJFYUHSSTJT-OAQYLSRUSA-N 2 1 399.966 3.930 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000809984510 888041586 /nfs/dbraw/zinc/04/15/86/888041586.db2.gz MOKFLWDWKHRDTO-OAQYLSRUSA-N 2 1 395.950 3.633 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4cc(Br)ccc4o3)C2)CC1 ZINC000796059163 913213454 /nfs/dbraw/zinc/21/34/54/913213454.db2.gz XMQWHTLFSQKCLP-UHFFFAOYSA-N 2 1 378.314 3.898 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810269255 888332555 /nfs/dbraw/zinc/33/25/55/888332555.db2.gz CUBQAMCIMMZJBR-OAQYLSRUSA-N 2 1 393.572 3.695 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865416759 888334882 /nfs/dbraw/zinc/33/48/82/888334882.db2.gz LCQISNZOTGEDPS-UHFFFAOYSA-N 2 1 391.559 3.985 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000509670776 888756620 /nfs/dbraw/zinc/75/66/20/888756620.db2.gz ACIOGDRXCULBNL-OAHLLOKOSA-N 2 1 396.329 3.523 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000509670776 888756631 /nfs/dbraw/zinc/75/66/31/888756631.db2.gz ACIOGDRXCULBNL-OAHLLOKOSA-N 2 1 396.329 3.523 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000245656553 889175448 /nfs/dbraw/zinc/17/54/48/889175448.db2.gz FBKITWLACOWHBB-WMZHIEFXSA-N 2 1 396.604 3.953 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657322 889177217 /nfs/dbraw/zinc/17/72/17/889177217.db2.gz DWKOSKTWIAFNMT-DQGGMIFGSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657322 889177227 /nfs/dbraw/zinc/17/72/27/889177227.db2.gz DWKOSKTWIAFNMT-DQGGMIFGSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657322 889177230 /nfs/dbraw/zinc/17/72/30/889177230.db2.gz DWKOSKTWIAFNMT-DQGGMIFGSA-N 2 1 399.623 3.909 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000063917573 889798359 /nfs/dbraw/zinc/79/83/59/889798359.db2.gz LXHLACTVAWSFES-IBGZPJMESA-N 2 1 375.520 3.756 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890302 890566732 /nfs/dbraw/zinc/56/67/32/890566732.db2.gz LFBMNKCMZSGSCS-DKKFBQAASA-N 2 1 397.485 3.722 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126547028 890588402 /nfs/dbraw/zinc/58/84/02/890588402.db2.gz XKYIWRKIBABAST-HSZRJFAPSA-N 2 1 385.596 3.786 20 0 GHADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CCC2 ZINC000126702580 890655375 /nfs/dbraw/zinc/65/53/75/890655375.db2.gz JGGFEMFKDFIXCY-LJQANCHMSA-N 2 1 384.593 3.620 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127454294 891069607 /nfs/dbraw/zinc/06/96/07/891069607.db2.gz NZRSSECYZNYIIX-JOCHJYFZSA-N 2 1 376.504 3.629 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127454294 891069614 /nfs/dbraw/zinc/06/96/14/891069614.db2.gz NZRSSECYZNYIIX-JOCHJYFZSA-N 2 1 376.504 3.629 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[C@@H](C)C1 ZINC000248557523 891427171 /nfs/dbraw/zinc/42/71/71/891427171.db2.gz LMBMXBIQZNAZKX-KXBFYZLASA-N 2 1 397.485 3.630 20 0 GHADMP O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248551648 891427298 /nfs/dbraw/zinc/42/72/98/891427298.db2.gz ISKDYJQMVVYWAP-SJORKVTESA-N 2 1 395.469 3.526 20 0 GHADMP Cc1sc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Br ZINC000873134903 891481086 /nfs/dbraw/zinc/48/10/86/891481086.db2.gz FEGKESJQPJJKOE-INIZCTEOSA-N 2 1 395.366 3.675 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000161656116 891773850 /nfs/dbraw/zinc/77/38/50/891773850.db2.gz JIXDNUXGPWWKON-QGZVFWFLSA-N 2 1 378.582 3.928 20 0 GHADMP CN(CC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000497588963 891941969 /nfs/dbraw/zinc/94/19/69/891941969.db2.gz MPMONYANSWKOOX-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261647702 892055768 /nfs/dbraw/zinc/05/57/68/892055768.db2.gz HAMARZDLGQOWRJ-HSZRJFAPSA-N 2 1 376.504 3.719 20 0 GHADMP c1cc(OCC2CC2)cc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)[nH+]1 ZINC001170719961 892184202 /nfs/dbraw/zinc/18/42/02/892184202.db2.gz JKZCOPZTEKUACA-MEMLXQNLSA-N 2 1 384.568 3.621 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC000497685505 892192779 /nfs/dbraw/zinc/19/27/79/892192779.db2.gz FNPOEYPNPUAKDZ-JBACZVJFSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCCC1)c1ccccc1 ZINC000497688232 892203098 /nfs/dbraw/zinc/20/30/98/892203098.db2.gz SDKPAXAEUWENPB-KSEOMHKRSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000497735301 892287826 /nfs/dbraw/zinc/28/78/26/892287826.db2.gz GZBLGBVLBNPHKX-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP O=C1OC2(CCCC2)CN1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814224256 892417014 /nfs/dbraw/zinc/41/70/14/892417014.db2.gz CFWUSWSITQUCFC-UHFFFAOYSA-N 2 1 383.536 3.697 20 0 GHADMP O=C1OC2(CCCC2)CN1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814224256 892417021 /nfs/dbraw/zinc/41/70/21/892417021.db2.gz CFWUSWSITQUCFC-UHFFFAOYSA-N 2 1 383.536 3.697 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[N@H+]1Cc1ccccc1 ZINC000875352149 892562316 /nfs/dbraw/zinc/56/23/16/892562316.db2.gz DJHQUAJNNWJNFS-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000508693304 892648841 /nfs/dbraw/zinc/64/88/41/892648841.db2.gz AVDIAIKTORGGKI-IPJJNNNSSA-N 2 1 375.520 3.829 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000497906788 892703945 /nfs/dbraw/zinc/70/39/45/892703945.db2.gz FLYNHZHJHSOZIG-FQEVSTJZSA-N 2 1 397.485 3.518 20 0 GHADMP C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712515 892829318 /nfs/dbraw/zinc/82/93/18/892829318.db2.gz CTJOGHTUHNRILL-TZIWHRDSSA-N 2 1 397.538 3.663 20 0 GHADMP O=C(NCCCCCCC[NH+]1CCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000747956024 892916336 /nfs/dbraw/zinc/91/63/36/892916336.db2.gz RNTADGSWBACKHF-UHFFFAOYSA-N 2 1 386.584 3.560 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000918026940 892996357 /nfs/dbraw/zinc/99/63/57/892996357.db2.gz XDVOOHSMARMIQB-UHFFFAOYSA-N 2 1 399.358 3.724 20 0 GHADMP CCC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2ccccn21 ZINC000129101776 893031668 /nfs/dbraw/zinc/03/16/68/893031668.db2.gz BLEYYRRACYBAMA-PXNSSMCTSA-N 2 1 381.524 3.862 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498070327 893104948 /nfs/dbraw/zinc/10/49/48/893104948.db2.gz CILIZVHGFZSPQB-YVWKXTFCSA-N 2 1 397.485 3.594 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000129148617 893105244 /nfs/dbraw/zinc/10/52/44/893105244.db2.gz MUCQXJHVVNSYNM-KDOFPFPSSA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000129148617 893105255 /nfs/dbraw/zinc/10/52/55/893105255.db2.gz MUCQXJHVVNSYNM-KDOFPFPSSA-N 2 1 387.337 3.815 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+]1CCCCC1 ZINC000918123028 893201954 /nfs/dbraw/zinc/20/19/54/893201954.db2.gz XPDWGQATXKUHGZ-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000876719751 893301484 /nfs/dbraw/zinc/30/14/84/893301484.db2.gz UIFFUYMHPVWYII-WIYYLYMNSA-N 2 1 395.551 3.743 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000877055131 893459903 /nfs/dbraw/zinc/45/99/03/893459903.db2.gz NLAVDIIOOGSGLJ-GOSISDBHSA-N 2 1 389.540 3.624 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000536663781 893478132 /nfs/dbraw/zinc/47/81/32/893478132.db2.gz VNJJXODQZDWMQY-HDICACEKSA-N 2 1 394.629 3.701 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000536667400 893485086 /nfs/dbraw/zinc/48/50/86/893485086.db2.gz CHOKFQFLLRDSAD-UHFFFAOYSA-N 2 1 382.504 3.944 20 0 GHADMP Cn1ccnc1[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000444799135 893576588 /nfs/dbraw/zinc/57/65/88/893576588.db2.gz GXUFHEFWJYBXFF-OAQYLSRUSA-N 2 1 388.515 3.833 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)C[C@H](C)O1 ZINC000536710859 893619203 /nfs/dbraw/zinc/61/92/03/893619203.db2.gz XZFFUPFAWXZBQV-IRXDYDNUSA-N 2 1 390.959 3.699 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000536843220 893919705 /nfs/dbraw/zinc/91/97/05/893919705.db2.gz DNKYMHBSUNLNJG-ZVDOUQERSA-N 2 1 377.548 3.521 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)CC1 ZINC000563779956 894182128 /nfs/dbraw/zinc/18/21/28/894182128.db2.gz CXMFGQFSFRKVFV-QGZVFWFLSA-N 2 1 388.556 3.550 20 0 GHADMP Cn1ccc(-c2nc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)cs2)n1 ZINC000878338056 894204263 /nfs/dbraw/zinc/20/42/63/894204263.db2.gz UVUVGRZNSDVPCH-UHFFFAOYSA-N 2 1 396.564 3.677 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000537096281 894307069 /nfs/dbraw/zinc/30/70/69/894307069.db2.gz OKLZNCVOSDEWPQ-CIEVZJJWSA-N 3 1 387.612 3.516 20 0 GHADMP CCN1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)[C@@H](C)C1 ZINC000537096281 894307086 /nfs/dbraw/zinc/30/70/86/894307086.db2.gz OKLZNCVOSDEWPQ-CIEVZJJWSA-N 2 1 387.612 3.516 20 0 GHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093478 894331167 /nfs/dbraw/zinc/33/11/67/894331167.db2.gz ORMUWVLYXXFESO-UVSNUMOOSA-N 3 1 387.612 3.514 20 0 GHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093478 894331184 /nfs/dbraw/zinc/33/11/84/894331184.db2.gz ORMUWVLYXXFESO-UVSNUMOOSA-N 2 1 387.612 3.514 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)[NH+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093477 894331468 /nfs/dbraw/zinc/33/14/68/894331468.db2.gz ORMUWVLYXXFESO-FPFQSLQCSA-N 3 1 387.612 3.514 20 0 GHADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093477 894331478 /nfs/dbraw/zinc/33/14/78/894331478.db2.gz ORMUWVLYXXFESO-FPFQSLQCSA-N 3 1 387.612 3.514 20 0 GHADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093477 894331492 /nfs/dbraw/zinc/33/14/92/894331492.db2.gz ORMUWVLYXXFESO-FPFQSLQCSA-N 3 1 387.612 3.514 20 0 GHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093477 894331509 /nfs/dbraw/zinc/33/15/09/894331509.db2.gz ORMUWVLYXXFESO-FPFQSLQCSA-N 2 1 387.612 3.514 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093477 894331525 /nfs/dbraw/zinc/33/15/25/894331525.db2.gz ORMUWVLYXXFESO-FPFQSLQCSA-N 2 1 387.612 3.514 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCC[C@@H](c4ccccc4)O3)CC2)CC1 ZINC000878721809 894534685 /nfs/dbraw/zinc/53/46/85/894534685.db2.gz IYWPIJMVSFYNMD-RPWUZVMVSA-N 2 1 385.596 3.789 20 0 GHADMP CN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288811749 913887938 /nfs/dbraw/zinc/88/79/38/913887938.db2.gz ZNDCNEGRYFGVKK-IUPYZPJSSA-N 2 1 398.595 3.554 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000288811749 913887953 /nfs/dbraw/zinc/88/79/53/913887953.db2.gz ZNDCNEGRYFGVKK-IUPYZPJSSA-N 2 1 398.595 3.554 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000288811749 913887965 /nfs/dbraw/zinc/88/79/65/913887965.db2.gz ZNDCNEGRYFGVKK-IUPYZPJSSA-N 2 1 398.595 3.554 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)ccc21 ZINC000455851156 894708030 /nfs/dbraw/zinc/70/80/30/894708030.db2.gz DWMLZSUGIUDGEZ-HSZRJFAPSA-N 2 1 392.547 3.975 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000537324785 894776417 /nfs/dbraw/zinc/77/64/17/894776417.db2.gz GLFMMSOUONDPGN-CTNGQTDRSA-N 2 1 393.579 3.859 20 0 GHADMP CN(C(=O)CC(C)(C)CC(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000879290082 894956239 /nfs/dbraw/zinc/95/62/39/894956239.db2.gz AGXPCEQADUDKMK-ROUUACIJSA-N 2 1 387.559 3.854 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000645472733 913920473 /nfs/dbraw/zinc/92/04/73/913920473.db2.gz HWSDUIVHBYVESM-JOCHJYFZSA-N 2 1 379.548 3.756 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455853671 894966660 /nfs/dbraw/zinc/96/66/60/894966660.db2.gz GCRKVAUGFSQLOU-QHCPKHFHSA-N 2 1 392.547 3.894 20 0 GHADMP CC(C)C[C@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)C(=O)NCC[NH+](C)C ZINC000537447468 894995043 /nfs/dbraw/zinc/99/50/43/894995043.db2.gz VVGLVYSQYWYKJT-WMZOPIPTSA-N 2 1 388.581 3.553 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC000879576054 895143829 /nfs/dbraw/zinc/14/38/29/895143829.db2.gz SMXCNYVZLMUFLR-WIYYLYMNSA-N 2 1 379.504 3.834 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC000879576054 895143832 /nfs/dbraw/zinc/14/38/32/895143832.db2.gz SMXCNYVZLMUFLR-WIYYLYMNSA-N 2 1 379.504 3.834 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC000879576054 895143833 /nfs/dbraw/zinc/14/38/33/895143833.db2.gz SMXCNYVZLMUFLR-WIYYLYMNSA-N 2 1 379.504 3.834 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC000879576054 895143838 /nfs/dbraw/zinc/14/38/38/895143838.db2.gz SMXCNYVZLMUFLR-WIYYLYMNSA-N 2 1 379.504 3.834 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000564837010 895274287 /nfs/dbraw/zinc/27/42/87/895274287.db2.gz OGGAZTNYMIMYDH-HSZRJFAPSA-N 2 1 391.559 3.981 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000564853605 895283922 /nfs/dbraw/zinc/28/39/22/895283922.db2.gz FDHWIPCUPXMNBS-OYYPCOLYSA-N 2 1 382.548 3.534 20 0 GHADMP CC(C)C[C@@H]([NH3+])c1noc([C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000564959617 895326511 /nfs/dbraw/zinc/32/65/11/895326511.db2.gz FBBJUHHOSDEFSF-QAPCUYQASA-N 2 1 382.430 3.822 20 0 GHADMP CC(C)C[C@H]([NH3+])c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000564960027 895327847 /nfs/dbraw/zinc/32/78/47/895327847.db2.gz ZUAMFJFMJRMWGF-SFHVURJKSA-N 2 1 381.524 3.885 20 0 GHADMP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000564988667 895338537 /nfs/dbraw/zinc/33/85/37/895338537.db2.gz MWLWDAOLYLEMSD-VIZSFHNOSA-N 2 1 393.531 3.697 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000565171752 895437355 /nfs/dbraw/zinc/43/73/55/895437355.db2.gz LYYISDAPQQXRBB-QGZVFWFLSA-N 2 1 375.532 3.541 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000565180187 895445460 /nfs/dbraw/zinc/44/54/60/895445460.db2.gz GXTPMYXHMOWRCO-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275114 895460447 /nfs/dbraw/zinc/46/04/47/895460447.db2.gz WBDYPRGQKPQKIC-ZEQRLZLVSA-N 2 1 380.532 3.607 20 0 GHADMP O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275114 895460453 /nfs/dbraw/zinc/46/04/53/895460453.db2.gz WBDYPRGQKPQKIC-ZEQRLZLVSA-N 2 1 380.532 3.607 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000565678476 895803643 /nfs/dbraw/zinc/80/36/43/895803643.db2.gz NJUFHXIMNLBFID-UHFFFAOYSA-N 2 1 392.522 3.851 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000565827536 895915501 /nfs/dbraw/zinc/91/55/01/895915501.db2.gz AGVFRRGNLHYTMB-NFBKMPQASA-N 3 1 392.478 3.665 20 0 GHADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289118142 914041877 /nfs/dbraw/zinc/04/18/77/914041877.db2.gz DGZDIUJCCQWUFU-ANZJIFDASA-N 2 1 382.552 3.794 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC12CCOCC2 ZINC000566245556 896196182 /nfs/dbraw/zinc/19/61/82/896196182.db2.gz UWSXEDYTIAOVGV-LJQANCHMSA-N 2 1 382.504 3.545 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000818969373 896329320 /nfs/dbraw/zinc/32/93/20/896329320.db2.gz DMZIZESCYZAVOY-IBGZPJMESA-N 2 1 377.326 3.724 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778554278 896573620 /nfs/dbraw/zinc/57/36/20/896573620.db2.gz VLMSYRHYASZKLS-YRISNDGFSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778554278 896573630 /nfs/dbraw/zinc/57/36/30/896573630.db2.gz VLMSYRHYASZKLS-YRISNDGFSA-N 2 1 399.485 3.570 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)Cc3ccc(F)cc3)cc2)CC1 ZINC000819445941 896681303 /nfs/dbraw/zinc/68/13/03/896681303.db2.gz VRAGQYFALRBUCH-HSZRJFAPSA-N 2 1 385.527 3.619 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252690 896907577 /nfs/dbraw/zinc/90/75/77/896907577.db2.gz NOHVVVHGKFLDDC-ZRCGQRJVSA-N 2 1 385.596 3.901 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252690 896907590 /nfs/dbraw/zinc/90/75/90/896907590.db2.gz NOHVVVHGKFLDDC-ZRCGQRJVSA-N 2 1 385.596 3.901 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252690 896907604 /nfs/dbraw/zinc/90/76/04/896907604.db2.gz NOHVVVHGKFLDDC-ZRCGQRJVSA-N 2 1 385.596 3.901 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000820009800 897083518 /nfs/dbraw/zinc/08/35/18/897083518.db2.gz SMAAXSXSFADTDK-IHLLOCCUSA-N 2 1 389.543 3.576 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000820009800 897083530 /nfs/dbraw/zinc/08/35/30/897083530.db2.gz SMAAXSXSFADTDK-IHLLOCCUSA-N 2 1 389.543 3.576 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000820009800 897083545 /nfs/dbraw/zinc/08/35/45/897083545.db2.gz SMAAXSXSFADTDK-IHLLOCCUSA-N 2 1 389.543 3.576 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000820009800 897083556 /nfs/dbraw/zinc/08/35/56/897083556.db2.gz SMAAXSXSFADTDK-IHLLOCCUSA-N 2 1 389.543 3.576 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000568166898 897650467 /nfs/dbraw/zinc/65/04/67/897650467.db2.gz WOWLBHDMSHMPOW-XMMPIXPASA-N 2 1 394.563 3.525 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC001136456015 897905854 /nfs/dbraw/zinc/90/58/54/897905854.db2.gz UKUWGZMWKVIWLA-VXKWHMMOSA-N 2 1 397.563 3.733 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000568624560 897993079 /nfs/dbraw/zinc/99/30/79/897993079.db2.gz OWPMXWQPESQEIH-JPYJTQIMSA-N 2 1 377.532 3.564 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OCC(F)F ZINC000289528844 914227299 /nfs/dbraw/zinc/22/72/99/914227299.db2.gz BSKSYZMRVZWFDR-HNNXBMFYSA-N 2 1 386.483 3.558 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OCC(F)F ZINC000289528844 914227315 /nfs/dbraw/zinc/22/73/15/914227315.db2.gz BSKSYZMRVZWFDR-HNNXBMFYSA-N 2 1 386.483 3.558 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCSc1ccc(Cl)cc1 ZINC001136541379 898212614 /nfs/dbraw/zinc/21/26/14/898212614.db2.gz ZCATVGZSTLXISD-SFHVURJKSA-N 2 1 398.016 3.697 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc1)C2 ZINC000289640119 914276495 /nfs/dbraw/zinc/27/64/95/914276495.db2.gz XNSLIJWTIHHGHX-KGVIQGDOSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)C2 ZINC000289640119 914276502 /nfs/dbraw/zinc/27/65/02/914276502.db2.gz XNSLIJWTIHHGHX-KGVIQGDOSA-N 2 1 394.563 3.548 20 0 GHADMP COc1nc2ccccc2cc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001137202435 898830653 /nfs/dbraw/zinc/83/06/53/898830653.db2.gz KMWMIFVIOORLDN-KDURUIRLSA-N 2 1 379.529 3.869 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490130 899060171 /nfs/dbraw/zinc/06/01/71/899060171.db2.gz VGUADEAEXYLYNX-WERVVEIQSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490130 899060184 /nfs/dbraw/zinc/06/01/84/899060184.db2.gz VGUADEAEXYLYNX-WERVVEIQSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490130 899060200 /nfs/dbraw/zinc/06/02/00/899060200.db2.gz VGUADEAEXYLYNX-WERVVEIQSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490130 899060217 /nfs/dbraw/zinc/06/02/17/899060217.db2.gz VGUADEAEXYLYNX-WERVVEIQSA-N 2 1 391.600 3.971 20 0 GHADMP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)on1 ZINC000570451781 899322480 /nfs/dbraw/zinc/32/24/80/899322480.db2.gz WELYISWJKLCYQF-HDICACEKSA-N 2 1 377.488 3.935 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803576 899337016 /nfs/dbraw/zinc/33/70/16/899337016.db2.gz FPGYLYHUNKSNHO-PKOBYXMFSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803576 899337030 /nfs/dbraw/zinc/33/70/30/899337030.db2.gz FPGYLYHUNKSNHO-PKOBYXMFSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803576 899337038 /nfs/dbraw/zinc/33/70/38/899337038.db2.gz FPGYLYHUNKSNHO-PKOBYXMFSA-N 2 1 397.485 3.516 20 0 GHADMP Cn1c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2cccc(Cl)c21 ZINC000570562441 899392715 /nfs/dbraw/zinc/39/27/15/899392715.db2.gz KNHPXQMDABNETN-LAUBAEHRSA-N 2 1 382.895 3.572 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631927 899456431 /nfs/dbraw/zinc/45/64/31/899456431.db2.gz WIGKDDNEPSVTGB-XWGVYQGASA-N 2 1 399.623 3.910 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631927 899456436 /nfs/dbraw/zinc/45/64/36/899456436.db2.gz WIGKDDNEPSVTGB-XWGVYQGASA-N 2 1 399.623 3.910 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631927 899456439 /nfs/dbraw/zinc/45/64/39/899456439.db2.gz WIGKDDNEPSVTGB-XWGVYQGASA-N 2 1 399.623 3.910 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC001136845883 899483513 /nfs/dbraw/zinc/48/35/13/899483513.db2.gz FJGNMYTUKZQBSE-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000646249236 914354417 /nfs/dbraw/zinc/35/44/17/914354417.db2.gz VLMYZRPIZGZOHY-QVGHQYEOSA-N 2 1 391.559 3.836 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553918 899684734 /nfs/dbraw/zinc/68/47/34/899684734.db2.gz KPCGLNFQAQVUBL-DHWLSRIRSA-N 2 1 388.519 3.713 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001136921181 899760041 /nfs/dbraw/zinc/76/00/41/899760041.db2.gz UJDAHARDXMHZKI-RBUKOAKNSA-N 2 1 375.557 3.576 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001136921181 899760045 /nfs/dbraw/zinc/76/00/45/899760045.db2.gz UJDAHARDXMHZKI-RBUKOAKNSA-N 2 1 375.557 3.576 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c1C ZINC001136921181 899760055 /nfs/dbraw/zinc/76/00/55/899760055.db2.gz UJDAHARDXMHZKI-RBUKOAKNSA-N 2 1 375.557 3.576 20 0 GHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646277650 914377159 /nfs/dbraw/zinc/37/71/59/914377159.db2.gz XYLMIWFHGQFEBM-QGTPRVQTSA-N 2 1 383.939 3.612 20 0 GHADMP Cc1cccn2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cnc12 ZINC001136962018 899870492 /nfs/dbraw/zinc/87/04/92/899870492.db2.gz XWDQQQCUVBZSJD-UHFFFAOYSA-N 2 1 396.560 3.571 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824947445 899902486 /nfs/dbraw/zinc/90/24/86/899902486.db2.gz NPUKYDXREMLNEO-ZWKOTPCHSA-N 2 1 390.535 3.949 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000825119329 899991395 /nfs/dbraw/zinc/99/13/95/899991395.db2.gz CKHBVSBCPIISNL-IBGZPJMESA-N 2 1 390.535 3.615 20 0 GHADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1nc(C(F)(F)F)c[nH]1)CC2 ZINC001137013005 900067566 /nfs/dbraw/zinc/06/75/66/900067566.db2.gz BOCWGXUIUFURDF-INIZCTEOSA-N 2 1 382.430 3.898 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1nc(C(F)(F)F)c[nH]1)CC2 ZINC001137013005 900067576 /nfs/dbraw/zinc/06/75/76/900067576.db2.gz BOCWGXUIUFURDF-INIZCTEOSA-N 2 1 382.430 3.898 20 0 GHADMP CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000885967236 900657410 /nfs/dbraw/zinc/65/74/10/900657410.db2.gz KOQDZOIERLGDPX-IRLDBZIGSA-N 2 1 390.568 3.614 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646378376 914467187 /nfs/dbraw/zinc/46/71/87/914467187.db2.gz JNNUGZUVJGVENS-NJDAHSKKSA-N 2 1 398.595 3.731 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(Br)nc3)CC2)nc(C)[nH+]1 ZINC000290035921 914491860 /nfs/dbraw/zinc/49/18/60/914491860.db2.gz BFXHQHAMWURCKS-ZDUSSCGKSA-N 2 1 390.329 3.571 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000886504205 901092702 /nfs/dbraw/zinc/09/27/02/901092702.db2.gz VNKZLDGENGRGMI-YLJYHZDGSA-N 2 1 396.535 3.526 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000886504205 901092712 /nfs/dbraw/zinc/09/27/12/901092712.db2.gz VNKZLDGENGRGMI-YLJYHZDGSA-N 2 1 396.535 3.526 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1)N1CCCCC1 ZINC000886605332 901185261 /nfs/dbraw/zinc/18/52/61/901185261.db2.gz OEBOUCFYHYGGAD-HTUFRPJOSA-N 2 1 395.591 3.810 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144176816 901196894 /nfs/dbraw/zinc/19/68/94/901196894.db2.gz MAFBJTBAMWLFMA-LJQANCHMSA-N 2 1 396.560 3.880 20 0 GHADMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(-c2cccnc2)n1 ZINC000093006781 901522608 /nfs/dbraw/zinc/52/26/08/901522608.db2.gz GENIBMQJAOKNJQ-UHFFFAOYSA-N 2 1 389.547 3.826 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)c(C)n2n1 ZINC000093404952 901543927 /nfs/dbraw/zinc/54/39/27/901543927.db2.gz QNCGXMQCXTUMFF-NQIIRXRSSA-N 2 1 377.536 3.561 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)c(C)n2n1 ZINC000093404952 901543933 /nfs/dbraw/zinc/54/39/33/901543933.db2.gz QNCGXMQCXTUMFF-NQIIRXRSSA-N 2 1 377.536 3.561 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000576198130 901796776 /nfs/dbraw/zinc/79/67/76/901796776.db2.gz ABNHTVDILNWSJG-KKUMJFAQSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000576198130 901796785 /nfs/dbraw/zinc/79/67/85/901796785.db2.gz ABNHTVDILNWSJG-KKUMJFAQSA-N 2 1 375.340 3.538 20 0 GHADMP C(CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[NH+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000576316511 901939402 /nfs/dbraw/zinc/93/94/02/901939402.db2.gz VPLUFYGZYRKEGD-COPRSSIGSA-N 2 1 388.596 3.834 20 0 GHADMP C(CC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000576316511 901939413 /nfs/dbraw/zinc/93/94/13/901939413.db2.gz VPLUFYGZYRKEGD-COPRSSIGSA-N 2 1 388.596 3.834 20 0 GHADMP C(CC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000576316511 901939426 /nfs/dbraw/zinc/93/94/26/901939426.db2.gz VPLUFYGZYRKEGD-COPRSSIGSA-N 2 1 388.596 3.834 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccc(Br)s3)no1)CC[NH2+]CC2 ZINC000333364199 902037376 /nfs/dbraw/zinc/03/73/76/902037376.db2.gz DJWKGAUQINKTNS-LLVKDONJSA-N 2 1 397.342 3.525 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000576605837 902125053 /nfs/dbraw/zinc/12/50/53/902125053.db2.gz YCPWCXDBOBKZAP-MISYRCLQSA-N 2 1 392.971 3.859 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001144433597 902152733 /nfs/dbraw/zinc/15/27/33/902152733.db2.gz GFXJIHJXONTZRN-HXUWFJFHSA-N 2 1 377.960 3.685 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001144433597 902152756 /nfs/dbraw/zinc/15/27/56/902152756.db2.gz GFXJIHJXONTZRN-HXUWFJFHSA-N 2 1 377.960 3.685 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893134 902338286 /nfs/dbraw/zinc/33/82/86/902338286.db2.gz WLDFKBWLSWMMNG-SDHOMARFSA-N 2 1 393.575 3.793 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893134 902338299 /nfs/dbraw/zinc/33/82/99/902338299.db2.gz WLDFKBWLSWMMNG-SDHOMARFSA-N 2 1 393.575 3.793 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576944617 902378682 /nfs/dbraw/zinc/37/86/82/902378682.db2.gz BMMMUVFDXRYQNJ-AYHUEBJRSA-N 2 1 393.934 3.509 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000646533938 914623285 /nfs/dbraw/zinc/62/32/85/914623285.db2.gz WMZGFRYSVHUDIN-IEBWSBKVSA-N 2 1 390.597 3.869 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577107786 902507691 /nfs/dbraw/zinc/50/76/91/902507691.db2.gz SMPZHOVBIBPCBP-BSIFCXSSSA-N 2 1 389.902 3.678 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000577297343 902658728 /nfs/dbraw/zinc/65/87/28/902658728.db2.gz DAPUFTIGGDKEAO-AUSIDOKSSA-N 2 1 377.532 3.675 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000846064656 902678552 /nfs/dbraw/zinc/67/85/52/902678552.db2.gz HSIIKKGQSROQLH-YLJYHZDGSA-N 2 1 375.557 3.873 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000846064656 902678558 /nfs/dbraw/zinc/67/85/58/902678558.db2.gz HSIIKKGQSROQLH-YLJYHZDGSA-N 2 1 375.557 3.873 20 0 GHADMP COCCOc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000577670099 903028365 /nfs/dbraw/zinc/02/83/65/903028365.db2.gz ZPBDYVSLSIVIOJ-GOTSBHOMSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000577670099 903028383 /nfs/dbraw/zinc/02/83/83/903028383.db2.gz ZPBDYVSLSIVIOJ-GOTSBHOMSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000577670099 903028399 /nfs/dbraw/zinc/02/83/99/903028399.db2.gz ZPBDYVSLSIVIOJ-GOTSBHOMSA-N 2 1 380.532 3.666 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001171236031 903077292 /nfs/dbraw/zinc/07/72/92/903077292.db2.gz HGYYVKCSKGFXFB-CRKBPHHBSA-N 2 1 383.580 3.780 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000846821626 903241446 /nfs/dbraw/zinc/24/14/46/903241446.db2.gz UAXNHRDOGZGYHZ-MOPGFXCFSA-N 2 1 376.545 3.607 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000846821626 903241460 /nfs/dbraw/zinc/24/14/60/903241460.db2.gz UAXNHRDOGZGYHZ-MOPGFXCFSA-N 2 1 376.545 3.607 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1)c1ccc2c(c1)CCCC2 ZINC000601067173 903291917 /nfs/dbraw/zinc/29/19/17/903291917.db2.gz OAGGFBAATJCUPV-SPEDKVCISA-N 2 1 380.536 3.665 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1)c1ccc2c(c1)CCCC2 ZINC000601067173 903291926 /nfs/dbraw/zinc/29/19/26/903291926.db2.gz OAGGFBAATJCUPV-SPEDKVCISA-N 2 1 380.536 3.665 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000290549137 914729365 /nfs/dbraw/zinc/72/93/65/914729365.db2.gz YYXAXSFWQQCSMO-UHFFFAOYSA-N 2 1 399.516 3.703 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC001147667169 903844169 /nfs/dbraw/zinc/84/41/69/903844169.db2.gz JDRQQGOGOBBXDK-PZJWPPBQSA-N 2 1 385.577 3.665 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000578490909 903898463 /nfs/dbraw/zinc/89/84/63/903898463.db2.gz JTYZYJKNPJTQRT-FGZHOGPDSA-N 2 1 378.520 3.756 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000578490909 903898472 /nfs/dbraw/zinc/89/84/72/903898472.db2.gz JTYZYJKNPJTQRT-FGZHOGPDSA-N 2 1 378.520 3.756 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000779073168 903904212 /nfs/dbraw/zinc/90/42/12/903904212.db2.gz LJFOFKYGSUYEBO-CWJKEVGVSA-N 2 1 387.568 3.852 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000779073168 903904215 /nfs/dbraw/zinc/90/42/15/903904215.db2.gz LJFOFKYGSUYEBO-CWJKEVGVSA-N 2 1 387.568 3.852 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)CC1 ZINC001171323186 903998755 /nfs/dbraw/zinc/99/87/55/903998755.db2.gz VJODOPMIFXBTTF-SFHVURJKSA-N 2 1 394.003 3.555 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)C2 ZINC000290682635 914784398 /nfs/dbraw/zinc/78/43/98/914784398.db2.gz DVFHTLKADXEMAU-JRGCBEDISA-N 2 1 382.552 3.636 20 0 GHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000151901741 904211116 /nfs/dbraw/zinc/21/11/16/904211116.db2.gz WVGLLJRQPVEKFE-CVEARBPZSA-N 2 1 398.532 3.501 20 0 GHADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000578920025 904224965 /nfs/dbraw/zinc/22/49/65/904224965.db2.gz RVEFEQROXZJXHU-NQIIRXRSSA-N 2 1 398.547 3.755 20 0 GHADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Nc1cc(F)cc(F)c1 ZINC000579070310 904326750 /nfs/dbraw/zinc/32/67/50/904326750.db2.gz DWEHYKLOVLOSKM-UHFFFAOYSA-N 2 1 387.474 3.590 20 0 GHADMP c1cnn(-c2ccc(CNc3ccc4c(c3)[nH+]cn4[C@H]3CCC[NH2+]CC3)cn2)c1 ZINC001171433333 904614928 /nfs/dbraw/zinc/61/49/28/904614928.db2.gz ZVMZPYMDMZZARZ-IBGZPJMESA-N 2 1 387.491 3.544 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171534022 904759264 /nfs/dbraw/zinc/75/92/64/904759264.db2.gz CNUOTIUAPKNCPE-HOTGVXAUSA-N 2 1 396.497 3.973 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+]CC2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC001171614305 904875550 /nfs/dbraw/zinc/87/55/50/904875550.db2.gz XHTUWCDZYLDRKK-UHFFFAOYSA-N 2 1 385.568 3.967 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001171746834 904971242 /nfs/dbraw/zinc/97/12/42/904971242.db2.gz SUBOELGFNHSWCE-AKAGGGOCSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171746834 904971249 /nfs/dbraw/zinc/97/12/49/904971249.db2.gz SUBOELGFNHSWCE-AKAGGGOCSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171746834 904971261 /nfs/dbraw/zinc/97/12/61/904971261.db2.gz SUBOELGFNHSWCE-AKAGGGOCSA-N 2 1 393.575 3.529 20 0 GHADMP C[C@@H]1C[C@H](N2CCC([NH3+])(Cc3ccccc3F)CC2)C[N@H+]1Cc1ccccc1 ZINC001171739627 905024424 /nfs/dbraw/zinc/02/44/24/905024424.db2.gz QRBCOTVCICNBKG-KNQAVFIVSA-N 2 1 381.539 3.825 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290914179 914868888 /nfs/dbraw/zinc/86/88/88/914868888.db2.gz PRHLHAXFECBHRV-KRWDZBQOSA-N 2 1 380.319 3.635 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290914179 914868910 /nfs/dbraw/zinc/86/89/10/914868910.db2.gz PRHLHAXFECBHRV-KRWDZBQOSA-N 2 1 380.319 3.635 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965710 905174226 /nfs/dbraw/zinc/17/42/26/905174226.db2.gz JBTABVDHUJGYPC-JOCHJYFZSA-N 2 1 379.548 3.678 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171965710 905174234 /nfs/dbraw/zinc/17/42/34/905174234.db2.gz JBTABVDHUJGYPC-JOCHJYFZSA-N 2 1 379.548 3.678 20 0 GHADMP CC1(C)C[C@H](N2CCC([NH3+])(c3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978621 905226605 /nfs/dbraw/zinc/22/66/05/905226605.db2.gz IBPIQZZTIBXYQG-JOCHJYFZSA-N 2 1 378.564 3.775 20 0 GHADMP CCc1ncnc2c1CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171980248 905230486 /nfs/dbraw/zinc/23/04/86/905230486.db2.gz JWFJJEIIEBAKBW-FQEVSTJZSA-N 2 1 378.564 3.883 20 0 GHADMP CCc1ncnc2c1CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171980248 905230502 /nfs/dbraw/zinc/23/05/02/905230502.db2.gz JWFJJEIIEBAKBW-FQEVSTJZSA-N 2 1 378.564 3.883 20 0 GHADMP CCc1ncnc2c1CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171980248 905230520 /nfs/dbraw/zinc/23/05/20/905230520.db2.gz JWFJJEIIEBAKBW-FQEVSTJZSA-N 2 1 378.564 3.883 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(N3CCCCC3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987805 905250419 /nfs/dbraw/zinc/25/04/19/905250419.db2.gz KATFYAVUJJIVRC-JOCHJYFZSA-N 2 1 383.580 3.907 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987425 905250536 /nfs/dbraw/zinc/25/05/36/905250536.db2.gz VCWLDNVQNPVLES-QHAWAJNXSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987425 905250552 /nfs/dbraw/zinc/25/05/52/905250552.db2.gz VCWLDNVQNPVLES-QHAWAJNXSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987425 905250565 /nfs/dbraw/zinc/25/05/65/905250565.db2.gz VCWLDNVQNPVLES-QHAWAJNXSA-N 2 1 399.579 3.981 20 0 GHADMP COCCN(C1CC[NH+](C)CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072201 905278074 /nfs/dbraw/zinc/27/80/74/905278074.db2.gz IIPJWDFLZKFSCN-BKFWDETESA-N 2 1 385.596 3.615 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C1CCCCC1 ZINC000174526363 905289736 /nfs/dbraw/zinc/28/97/36/905289736.db2.gz OVHGOPRAHQPZKS-NRFANRHFSA-N 2 1 382.552 3.929 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084753 905299679 /nfs/dbraw/zinc/29/96/79/905299679.db2.gz DFWGYFSAZYCPQD-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccncc1 ZINC000174598204 905305029 /nfs/dbraw/zinc/30/50/29/905305029.db2.gz DAHPYSOEKYDMLR-SEJPIABJSA-N 2 1 381.520 3.774 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nnc(-c3ccccc3-c3ccc(C[NH3+])cc3)n1)C2 ZINC001172106961 905356325 /nfs/dbraw/zinc/35/63/25/905356325.db2.gz QZAUWOXJZOUFMD-ACDBMABISA-N 2 1 388.519 3.654 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3cccc(Cl)c3)CC1)C2 ZINC001172112359 905360430 /nfs/dbraw/zinc/36/04/30/905360430.db2.gz VSVCGWNFTNPROB-RSMWHSHJSA-N 2 1 389.971 3.986 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3cccc(Cl)c3)CC1)C2 ZINC001172112359 905360446 /nfs/dbraw/zinc/36/04/46/905360446.db2.gz VSVCGWNFTNPROB-RSMWHSHJSA-N 2 1 389.971 3.986 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C2 ZINC001172110758 905360606 /nfs/dbraw/zinc/36/06/06/905360606.db2.gz OUPBTFQWNCUTTL-MXEMCNAFSA-N 2 1 387.568 3.727 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1)C2 ZINC001172110758 905360620 /nfs/dbraw/zinc/36/06/20/905360620.db2.gz OUPBTFQWNCUTTL-MXEMCNAFSA-N 2 1 387.568 3.727 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117996 905376011 /nfs/dbraw/zinc/37/60/11/905376011.db2.gz UAZNBDXEUCDZSF-JTOYRKQZSA-N 2 1 399.554 3.656 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117996 905376022 /nfs/dbraw/zinc/37/60/22/905376022.db2.gz UAZNBDXEUCDZSF-JTOYRKQZSA-N 2 1 399.554 3.656 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117996 905376029 /nfs/dbraw/zinc/37/60/29/905376029.db2.gz UAZNBDXEUCDZSF-JTOYRKQZSA-N 2 1 399.554 3.656 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117996 905376043 /nfs/dbraw/zinc/37/60/43/905376043.db2.gz UAZNBDXEUCDZSF-JTOYRKQZSA-N 2 1 399.554 3.656 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121398 905379435 /nfs/dbraw/zinc/37/94/35/905379435.db2.gz PZVRVHHENUHXLW-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121398 905379449 /nfs/dbraw/zinc/37/94/49/905379449.db2.gz PZVRVHHENUHXLW-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121398 905379457 /nfs/dbraw/zinc/37/94/57/905379457.db2.gz PZVRVHHENUHXLW-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@H]4CCN5C(=O)CC[C@H]5C4)CC3)C2)cc1 ZINC001172172510 905395513 /nfs/dbraw/zinc/39/55/13/905395513.db2.gz FHGYDKSQXRHTIR-GOTSBHOMSA-N 2 1 395.591 3.826 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC001172251469 905447802 /nfs/dbraw/zinc/44/78/02/905447802.db2.gz QTVQAIKNMKOSPE-UHFFFAOYSA-N 2 1 375.488 3.647 20 0 GHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172576697 905621996 /nfs/dbraw/zinc/62/19/96/905621996.db2.gz HAKTWZVFQRCETK-MRXNPFEDSA-N 2 1 385.930 3.653 20 0 GHADMP CCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000627616879 905648292 /nfs/dbraw/zinc/64/82/92/905648292.db2.gz IYAJHVPWAOGLJL-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP O=C1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC001172663788 905726209 /nfs/dbraw/zinc/72/62/09/905726209.db2.gz QCTBMMIKLIQRQN-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682775 905734232 /nfs/dbraw/zinc/73/42/32/905734232.db2.gz RKYLGQWEBHYBNF-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682775 905734247 /nfs/dbraw/zinc/73/42/47/905734247.db2.gz RKYLGQWEBHYBNF-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682775 905734256 /nfs/dbraw/zinc/73/42/56/905734256.db2.gz RKYLGQWEBHYBNF-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172726110 905776014 /nfs/dbraw/zinc/77/60/14/905776014.db2.gz VZFBAMNCIHIBTD-QFIPXVFZSA-N 2 1 378.004 3.937 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172777465 905817465 /nfs/dbraw/zinc/81/74/65/905817465.db2.gz JIFZEAZHZDMBGP-VMXMFDLUSA-N 2 1 388.552 3.889 20 0 GHADMP C[N@@H+](C1CCN(CC(=O)OC(C)(C)C)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001172899310 905921921 /nfs/dbraw/zinc/92/19/21/905921921.db2.gz WIVCXGXKDTXETE-UHFFFAOYSA-N 2 1 393.616 3.521 20 0 GHADMP COc1cccc(C2([NH3+])CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC001172958825 906065733 /nfs/dbraw/zinc/06/57/33/906065733.db2.gz YUHVIIXGHFWVGZ-KRWDZBQOSA-N 2 1 391.556 3.591 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067087 906146945 /nfs/dbraw/zinc/14/69/45/906146945.db2.gz IDRMVXALUUTFBA-SJLPKXTDSA-N 2 1 388.556 3.717 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn(C2CCC([NH+](CC)CC)CC2)c2ccccc12 ZINC001173101543 906189154 /nfs/dbraw/zinc/18/91/54/906189154.db2.gz JZUSEPMGAUTNEF-GZNCHQMQSA-N 2 1 385.552 3.900 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)CC1 ZINC001173111267 906198810 /nfs/dbraw/zinc/19/88/10/906198810.db2.gz URGCOTHEYCJVNZ-CXMUWEKQSA-N 2 1 397.607 3.904 20 0 GHADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](C2CCC4(CCCCC4)CC2)CC3)CC1 ZINC001173119745 906206610 /nfs/dbraw/zinc/20/66/10/906206610.db2.gz XFKXGSAWARUQPE-UHFFFAOYSA-N 2 1 397.611 3.522 20 0 GHADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](C2CCC4(CCCCC4)CC2)CC3)CC1 ZINC001173119745 906206622 /nfs/dbraw/zinc/20/66/22/906206622.db2.gz XFKXGSAWARUQPE-UHFFFAOYSA-N 2 1 397.611 3.522 20 0 GHADMP CCSC[C@H](C)[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001173302210 906360847 /nfs/dbraw/zinc/36/08/47/906360847.db2.gz PQLZCLIXCGBHDL-DLBZAZTESA-N 2 1 383.627 3.588 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1nc2c(s1)CCCC2 ZINC000179442886 906504203 /nfs/dbraw/zinc/50/42/03/906504203.db2.gz SBDUJTRMQLWFPT-INIZCTEOSA-N 2 1 385.577 3.829 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173608776 906562385 /nfs/dbraw/zinc/56/23/85/906562385.db2.gz PFINNFNRQKXCBI-AMIIXWMNSA-N 2 1 385.552 3.666 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC001173628585 906579272 /nfs/dbraw/zinc/57/92/72/906579272.db2.gz SPNCAJOSWIKTRN-BXDOVSSBSA-N 2 1 396.575 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC001173628585 906579283 /nfs/dbraw/zinc/57/92/83/906579283.db2.gz SPNCAJOSWIKTRN-BXDOVSSBSA-N 2 1 396.575 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC001173628585 906579291 /nfs/dbraw/zinc/57/92/91/906579291.db2.gz SPNCAJOSWIKTRN-BXDOVSSBSA-N 2 1 396.575 3.952 20 0 GHADMP FC(F)(F)CN1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001173671980 906608487 /nfs/dbraw/zinc/60/84/87/906608487.db2.gz JCDAITCJMYFAIR-UXHICEINSA-N 2 1 395.513 3.857 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001173671980 906608497 /nfs/dbraw/zinc/60/84/97/906608497.db2.gz JCDAITCJMYFAIR-UXHICEINSA-N 2 1 395.513 3.857 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001173671980 906608506 /nfs/dbraw/zinc/60/85/06/906608506.db2.gz JCDAITCJMYFAIR-UXHICEINSA-N 2 1 395.513 3.857 20 0 GHADMP c1nnn([C@@H]2CCC[C@@H]([N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)C2)n1 ZINC001173769001 906688063 /nfs/dbraw/zinc/68/80/63/906688063.db2.gz NSUFULDUJQGABR-FGZHOGPDSA-N 2 1 394.567 3.535 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000180641174 906807462 /nfs/dbraw/zinc/80/74/62/906807462.db2.gz DNVSRVRCJVCKOO-KXBFYZLASA-N 2 1 376.447 3.705 20 0 GHADMP [NH3+]CCCOC1CC[NH+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000629513028 906845858 /nfs/dbraw/zinc/84/58/58/906845858.db2.gz JWEMWFROAJZVRI-UHFFFAOYSA-N 2 1 384.307 3.978 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@H]1C(F)(F)F ZINC000629566005 906872093 /nfs/dbraw/zinc/87/20/93/906872093.db2.gz XMXUBCPPKKVJBH-IAGOWNOFSA-N 2 1 388.437 3.960 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@H]1C(F)(F)F ZINC000629566005 906872123 /nfs/dbraw/zinc/87/21/23/906872123.db2.gz XMXUBCPPKKVJBH-IAGOWNOFSA-N 2 1 388.437 3.960 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000191519228 907049595 /nfs/dbraw/zinc/04/95/95/907049595.db2.gz ZPGZZVXNZPTNDO-UHFFFAOYSA-N 2 1 379.504 3.953 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000191519228 907049607 /nfs/dbraw/zinc/04/96/07/907049607.db2.gz ZPGZZVXNZPTNDO-UHFFFAOYSA-N 2 1 379.504 3.953 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000181809187 907083143 /nfs/dbraw/zinc/08/31/43/907083143.db2.gz ZGTYZOGNCUMJAC-NQIIRXRSSA-N 2 1 388.515 3.880 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC001174704085 907166743 /nfs/dbraw/zinc/16/67/43/907166743.db2.gz CLUFTWOGVCOHJA-QFIPXVFZSA-N 2 1 383.580 3.588 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000182246591 907168029 /nfs/dbraw/zinc/16/80/29/907168029.db2.gz GGFINSIOUQBXPA-QFBILLFUSA-N 2 1 385.577 3.829 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000182246591 907168035 /nfs/dbraw/zinc/16/80/35/907168035.db2.gz GGFINSIOUQBXPA-QFBILLFUSA-N 2 1 385.577 3.829 20 0 GHADMP CCCC[N@H+](Cc1cc(=O)n2c(C)csc2n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984064 907333735 /nfs/dbraw/zinc/33/37/35/907333735.db2.gz MKVNRRHUFCGPOD-UHFFFAOYSA-N 2 1 390.597 3.976 20 0 GHADMP CCCC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984064 907333747 /nfs/dbraw/zinc/33/37/47/907333747.db2.gz MKVNRRHUFCGPOD-UHFFFAOYSA-N 2 1 390.597 3.976 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1F ZINC000183261459 907359721 /nfs/dbraw/zinc/35/97/21/907359721.db2.gz YWSJIMWCLDLUIR-YJBOKZPZSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1F ZINC000183261459 907359740 /nfs/dbraw/zinc/35/97/40/907359740.db2.gz YWSJIMWCLDLUIR-YJBOKZPZSA-N 2 1 387.474 3.513 20 0 GHADMP C[NH+]1CCN(c2cccc(F)c2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001175506715 907592947 /nfs/dbraw/zinc/59/29/47/907592947.db2.gz FHDTVDCIOGWLBJ-UHFFFAOYSA-N 2 1 380.511 3.779 20 0 GHADMP COc1ccccc1N1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000631165842 907609897 /nfs/dbraw/zinc/60/98/97/907609897.db2.gz CIHBAFQUWPBMNH-IRLDBZIGSA-N 2 1 379.548 3.599 20 0 GHADMP CC(C)C[N@@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)CC1CC[NH+](C)CC1 ZINC001175600765 907630015 /nfs/dbraw/zinc/63/00/15/907630015.db2.gz BOAFPLNNIOSMPG-VQTJNVASSA-N 2 1 381.605 3.980 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNCCC[N@@H+](C)C2CCCCC2)CC1 ZINC001177066290 908389174 /nfs/dbraw/zinc/38/91/74/908389174.db2.gz QNVPWLRRSVMXLW-UHFFFAOYSA-N 2 1 386.628 3.963 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[N@H+](C)C2CCCCC2)CC1 ZINC001177066290 908389184 /nfs/dbraw/zinc/38/91/84/908389184.db2.gz QNVPWLRRSVMXLW-UHFFFAOYSA-N 3 1 386.628 3.963 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001177066290 908389200 /nfs/dbraw/zinc/38/92/00/908389200.db2.gz QNVPWLRRSVMXLW-UHFFFAOYSA-N 3 1 386.628 3.963 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(C)C ZINC001177240690 908479147 /nfs/dbraw/zinc/47/91/47/908479147.db2.gz QSLQJVBUCIPMTJ-NRFANRHFSA-N 2 1 393.547 3.583 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000191535113 908639318 /nfs/dbraw/zinc/63/93/18/908639318.db2.gz HJIKSFYZDKAHAD-ZCNNSNEGSA-N 2 1 376.566 3.590 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccco2)CC1 ZINC001177617915 908672066 /nfs/dbraw/zinc/67/20/66/908672066.db2.gz GUDGBBVTQGWQNS-QFIPXVFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccco2)CC1 ZINC001177617915 908672071 /nfs/dbraw/zinc/67/20/71/908672071.db2.gz GUDGBBVTQGWQNS-QFIPXVFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177617915 908672074 /nfs/dbraw/zinc/67/20/74/908672074.db2.gz GUDGBBVTQGWQNS-QFIPXVFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177617915 908672085 /nfs/dbraw/zinc/67/20/85/908672085.db2.gz GUDGBBVTQGWQNS-QFIPXVFZSA-N 2 1 399.510 3.506 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccco1 ZINC001177626729 908677730 /nfs/dbraw/zinc/67/77/30/908677730.db2.gz RCUKCQCRWFNEGI-FCHUYYIVSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccco1 ZINC001177626729 908677744 /nfs/dbraw/zinc/67/77/44/908677744.db2.gz RCUKCQCRWFNEGI-FCHUYYIVSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177626729 908677754 /nfs/dbraw/zinc/67/77/54/908677754.db2.gz RCUKCQCRWFNEGI-FCHUYYIVSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177626729 908677762 /nfs/dbraw/zinc/67/77/62/908677762.db2.gz RCUKCQCRWFNEGI-FCHUYYIVSA-N 2 1 395.547 3.661 20 0 GHADMP CCOc1c(OC)cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC001178458178 909060959 /nfs/dbraw/zinc/06/09/59/909060959.db2.gz TYPNXNGTOCCVEW-AEFFLSMTSA-N 2 1 376.541 3.845 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001178731727 909207228 /nfs/dbraw/zinc/20/72/28/909207228.db2.gz AMEVLVKUEYKUEC-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001178731727 909207243 /nfs/dbraw/zinc/20/72/43/909207243.db2.gz AMEVLVKUEYKUEC-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001178731727 909207251 /nfs/dbraw/zinc/20/72/51/909207251.db2.gz AMEVLVKUEYKUEC-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCCn1cc[nH+]c1C ZINC000266542366 909212087 /nfs/dbraw/zinc/21/20/87/909212087.db2.gz QXVCQHXVCOCHIE-JOCHJYFZSA-N 2 1 397.567 3.525 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCCn1cc[nH+]c1C ZINC000266542366 909212104 /nfs/dbraw/zinc/21/21/04/909212104.db2.gz QXVCQHXVCOCHIE-JOCHJYFZSA-N 2 1 397.567 3.525 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001179873153 909794086 /nfs/dbraw/zinc/79/40/86/909794086.db2.gz DDVCHORZDZPLID-OAHLLOKOSA-N 2 1 389.341 3.757 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC001179873153 909794093 /nfs/dbraw/zinc/79/40/93/909794093.db2.gz DDVCHORZDZPLID-OAHLLOKOSA-N 2 1 389.341 3.757 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268779184 910011772 /nfs/dbraw/zinc/01/17/72/910011772.db2.gz HXKYMNSDVKLBSE-RDPSFJRHSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268779184 910011790 /nfs/dbraw/zinc/01/17/90/910011790.db2.gz HXKYMNSDVKLBSE-RDPSFJRHSA-N 2 1 391.559 3.952 20 0 GHADMP CC(=O)N1CC[C@@H](C[N@H+](C)C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000638181599 910077382 /nfs/dbraw/zinc/07/73/82/910077382.db2.gz HWCXEBJHXVYVEA-UPVQGACJSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638181599 910077395 /nfs/dbraw/zinc/07/73/95/910077395.db2.gz HWCXEBJHXVYVEA-UPVQGACJSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638181599 910077408 /nfs/dbraw/zinc/07/74/08/910077408.db2.gz HWCXEBJHXVYVEA-UPVQGACJSA-N 2 1 385.596 3.725 20 0 GHADMP [NH3+]Cc1cccc2c1N(C(=O)[C@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CCC2 ZINC000638543964 910175465 /nfs/dbraw/zinc/17/54/65/910175465.db2.gz QHSUKKUBUVVNNQ-IBGZPJMESA-N 2 1 392.547 3.931 20 0 GHADMP [NH3+]C1(CC(=O)NCC2(C(F)(F)F)CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638729144 910219438 /nfs/dbraw/zinc/21/94/38/910219438.db2.gz YONWKQZCODTJSJ-UHFFFAOYSA-N 2 1 397.485 3.609 20 0 GHADMP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000639022892 910291543 /nfs/dbraw/zinc/29/15/43/910291543.db2.gz JPIDDVXXXSMBNU-FXAWDEMLSA-N 2 1 392.547 3.657 20 0 GHADMP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c2ccccc21 ZINC000639066065 910304431 /nfs/dbraw/zinc/30/44/31/910304431.db2.gz TWHGPYLDQWAJJN-MOPGFXCFSA-N 2 1 392.547 3.972 20 0 GHADMP C[C@H]([NH2+][C@H](CC(N)=O)c1ccc(Cl)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180696929 910311591 /nfs/dbraw/zinc/31/15/91/910311591.db2.gz AGUMMBNJDZORGH-LDQXTDLNSA-N 2 1 385.939 3.757 20 0 GHADMP C[C@H]([NH2+][C@H](CC(N)=O)c1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180696929 910311601 /nfs/dbraw/zinc/31/16/01/910311601.db2.gz AGUMMBNJDZORGH-LDQXTDLNSA-N 2 1 385.939 3.757 20 0 GHADMP CC(C)(C)[C@@]1(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639296503 910378670 /nfs/dbraw/zinc/37/86/70/910378670.db2.gz VFTRNZRELMONMB-HYBUGGRVSA-N 2 1 383.580 3.525 20 0 GHADMP COCc1noc([C@@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000639727645 910637175 /nfs/dbraw/zinc/63/71/75/910637175.db2.gz WEMRETQWBHFOBH-GOSISDBHSA-N 2 1 384.524 3.655 20 0 GHADMP Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639776770 910657827 /nfs/dbraw/zinc/65/78/27/910657827.db2.gz FRNJAKCMDPBNNG-FGZHOGPDSA-N 2 1 394.498 3.946 20 0 GHADMP Fc1ccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639776770 910657835 /nfs/dbraw/zinc/65/78/35/910657835.db2.gz FRNJAKCMDPBNNG-FGZHOGPDSA-N 2 1 394.498 3.946 20 0 GHADMP c1n[nH]cc1[C@@H]1CCC[NH+]1CC(C[N@H+]1CCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000639777118 910657884 /nfs/dbraw/zinc/65/78/84/910657884.db2.gz SKOWEYOGJAMYOT-GOTSBHOMSA-N 2 1 390.535 3.891 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000271435714 910903797 /nfs/dbraw/zinc/90/37/97/910903797.db2.gz FKKAUOXODDGPKI-GBXCKJPGSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000271435714 910903811 /nfs/dbraw/zinc/90/38/11/910903811.db2.gz FKKAUOXODDGPKI-GBXCKJPGSA-N 2 1 391.559 3.952 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001181865544 911047563 /nfs/dbraw/zinc/04/75/63/911047563.db2.gz YEZGVCURIYLVHB-PKTZIBPZSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001181865544 911047576 /nfs/dbraw/zinc/04/75/76/911047576.db2.gz YEZGVCURIYLVHB-PKTZIBPZSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001181865544 911047595 /nfs/dbraw/zinc/04/75/95/911047595.db2.gz YEZGVCURIYLVHB-PKTZIBPZSA-N 2 1 385.596 3.869 20 0 GHADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2)C1 ZINC001182241014 911365442 /nfs/dbraw/zinc/36/54/42/911365442.db2.gz NYLUTFHONORIOH-XZOQPEGZSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2)C1 ZINC001182241014 911365464 /nfs/dbraw/zinc/36/54/64/911365464.db2.gz NYLUTFHONORIOH-XZOQPEGZSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccccc2)C1 ZINC001182241014 911365483 /nfs/dbraw/zinc/36/54/83/911365483.db2.gz NYLUTFHONORIOH-XZOQPEGZSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)C1 ZINC001182241014 911365503 /nfs/dbraw/zinc/36/55/03/911365503.db2.gz NYLUTFHONORIOH-XZOQPEGZSA-N 2 1 379.548 3.801 20 0 GHADMP CO[C@@H](CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000283370300 911483296 /nfs/dbraw/zinc/48/32/96/911483296.db2.gz CCRPABGFZQZVMP-UEXGIBASSA-N 2 1 379.976 3.518 20 0 GHADMP CO[C@@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000283370300 911483304 /nfs/dbraw/zinc/48/33/04/911483304.db2.gz CCRPABGFZQZVMP-UEXGIBASSA-N 2 1 379.976 3.518 20 0 GHADMP CO[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000283370300 911483313 /nfs/dbraw/zinc/48/33/13/911483313.db2.gz CCRPABGFZQZVMP-UEXGIBASSA-N 2 1 379.976 3.518 20 0 GHADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001182936534 912165895 /nfs/dbraw/zinc/16/58/95/912165895.db2.gz CRZCOCPEUIYGLD-HSZRJFAPSA-N 2 1 379.548 3.630 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001182936534 912165945 /nfs/dbraw/zinc/16/59/45/912165945.db2.gz CRZCOCPEUIYGLD-HSZRJFAPSA-N 2 1 379.548 3.630 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000291107459 914981836 /nfs/dbraw/zinc/98/18/36/914981836.db2.gz KCPXOPRBKHTJJP-IBGZPJMESA-N 2 1 383.502 3.557 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647171533 915066173 /nfs/dbraw/zinc/06/61/73/915066173.db2.gz MYGMENQIQRGVEX-IBGZPJMESA-N 2 1 375.520 3.932 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192370 915079034 /nfs/dbraw/zinc/07/90/34/915079034.db2.gz CADQRUVMRNQVKE-GOTSBHOMSA-N 2 1 395.591 3.954 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192370 915079052 /nfs/dbraw/zinc/07/90/52/915079052.db2.gz CADQRUVMRNQVKE-GOTSBHOMSA-N 2 1 395.591 3.954 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000647195748 915079599 /nfs/dbraw/zinc/07/95/99/915079599.db2.gz BSGOQGSPBCYNOU-TZIWHRDSSA-N 2 1 375.520 3.658 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OC ZINC000647344107 915162370 /nfs/dbraw/zinc/16/23/70/915162370.db2.gz JAAGTASRJVIIPQ-AHRSYUTCSA-N 2 1 384.520 3.708 20 0 GHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000647343896 915164933 /nfs/dbraw/zinc/16/49/33/915164933.db2.gz FKRMURFTTVDPKH-NNWRFLSQSA-N 2 1 379.548 3.956 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2C)cc1 ZINC000647479335 915288667 /nfs/dbraw/zinc/28/86/67/915288667.db2.gz CPGSOOYTLBZEGC-REWPJTCUSA-N 2 1 382.552 3.521 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2C)cc1 ZINC000647479335 915288681 /nfs/dbraw/zinc/28/86/81/915288681.db2.gz CPGSOOYTLBZEGC-REWPJTCUSA-N 2 1 382.552 3.521 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OCc1ccncc1 ZINC000647479943 915290081 /nfs/dbraw/zinc/29/00/81/915290081.db2.gz YOIQSODVNLLEIP-RTWAWAEBSA-N 2 1 381.520 3.633 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OCc1ccncc1 ZINC000647479943 915290094 /nfs/dbraw/zinc/29/00/94/915290094.db2.gz YOIQSODVNLLEIP-RTWAWAEBSA-N 2 1 381.520 3.633 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000647532558 915316874 /nfs/dbraw/zinc/31/68/74/915316874.db2.gz DBIANQMMSLSFER-ISKFKSNPSA-N 2 1 391.559 3.751 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647530873 915317433 /nfs/dbraw/zinc/31/74/33/915317433.db2.gz MLMJPHVDAIQASV-UHFFFAOYSA-N 2 1 376.504 3.861 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976733 915457440 /nfs/dbraw/zinc/45/74/40/915457440.db2.gz STJAUMQDHHUCHO-HOTGVXAUSA-N 2 1 394.441 3.967 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1F ZINC000647976843 915458010 /nfs/dbraw/zinc/45/80/10/915458010.db2.gz VAIWPERHYQQZFN-MOPGFXCFSA-N 2 1 386.515 3.828 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647987784 915465423 /nfs/dbraw/zinc/46/54/23/915465423.db2.gz ZLHHIIBDTMPLAB-STQMWFEESA-N 2 1 389.849 3.619 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647987784 915465424 /nfs/dbraw/zinc/46/54/24/915465424.db2.gz ZLHHIIBDTMPLAB-STQMWFEESA-N 2 1 389.849 3.619 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000649336758 916103903 /nfs/dbraw/zinc/10/39/03/916103903.db2.gz TXIDXVRHLYVTDB-MAUKXSAKSA-N 2 1 385.474 3.722 20 0 GHADMP CCS(=O)(=O)CCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293336770 916133821 /nfs/dbraw/zinc/13/38/21/916133821.db2.gz MYJGJXMUTKWDCP-UHFFFAOYSA-N 2 1 392.609 3.580 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189750837 916874446 /nfs/dbraw/zinc/87/44/46/916874446.db2.gz YHFPSCYDVXHJBR-NRFANRHFSA-N 2 1 395.547 3.908 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC001190018449 917037571 /nfs/dbraw/zinc/03/75/71/917037571.db2.gz IMKIDBUFABNCPC-UHFFFAOYSA-N 2 1 399.498 3.725 20 0 GHADMP CCC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001190605526 917444761 /nfs/dbraw/zinc/44/47/61/917444761.db2.gz NWDXZTQMCNAVKV-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP CCC[NH+](Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001190605526 917444769 /nfs/dbraw/zinc/44/47/69/917444769.db2.gz NWDXZTQMCNAVKV-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP CCC[NH+](Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001190605526 917444776 /nfs/dbraw/zinc/44/47/76/917444776.db2.gz NWDXZTQMCNAVKV-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000652345880 917876882 /nfs/dbraw/zinc/87/68/82/917876882.db2.gz OLWZGUXLMUDVRD-MZKRTTBSSA-N 2 1 393.531 3.510 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000652346577 917877536 /nfs/dbraw/zinc/87/75/36/917877536.db2.gz ARCOKTLWIBEJBZ-WRWLIDTKSA-N 2 1 375.900 3.713 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000653153603 918144361 /nfs/dbraw/zinc/14/43/61/918144361.db2.gz UUNGHDALVRPPGZ-KBXCAEBGSA-N 2 1 384.351 3.592 20 0 GHADMP Cc1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000653615135 918359153 /nfs/dbraw/zinc/35/91/53/918359153.db2.gz BFEYZLHAIIKHFX-OAQYLSRUSA-N 2 1 393.535 3.861 20 0 GHADMP C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775498881 918400825 /nfs/dbraw/zinc/40/08/25/918400825.db2.gz OVRVGNMVUXPVAJ-DSKINZAPSA-N 2 1 392.465 3.937 20 0 GHADMP C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775498881 918400835 /nfs/dbraw/zinc/40/08/35/918400835.db2.gz OVRVGNMVUXPVAJ-DSKINZAPSA-N 2 1 392.465 3.937 20 0 GHADMP COC[C@@]1(C)CC[NH+](Cc2cc(C[N@@H+]3CC[C@](C)(COC)C3)ccc2F)C1 ZINC000296803639 918767921 /nfs/dbraw/zinc/76/79/21/918767921.db2.gz RBUHXXDSLPRXHX-VXKWHMMOSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@]1(C)CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000296803639 918767940 /nfs/dbraw/zinc/76/79/40/918767940.db2.gz RBUHXXDSLPRXHX-VXKWHMMOSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@]1(C)CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000296803639 918768110 /nfs/dbraw/zinc/76/81/10/918768110.db2.gz RBUHXXDSLPRXHX-VXKWHMMOSA-N 2 1 378.532 3.543 20 0 GHADMP Cn1ccnc1CCCOC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000802786366 922403577 /nfs/dbraw/zinc/40/35/77/922403577.db2.gz QMLHDPWVYFWSKU-UHFFFAOYSA-N 2 1 377.488 3.842 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](CC(C)C)C3CCOCC3)CC2)oc1C ZINC000902800529 922504276 /nfs/dbraw/zinc/50/42/76/922504276.db2.gz PJLCQMVYOIEMSD-OAQYLSRUSA-N 2 1 377.573 3.934 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C(F)(F)F)cn3)CC2)nc(C)[nH+]1 ZINC000902831510 922539928 /nfs/dbraw/zinc/53/99/28/922539928.db2.gz ACYIXSLAIXIXCD-CYBMUJFWSA-N 2 1 379.430 3.827 20 0 GHADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903124010 922792160 /nfs/dbraw/zinc/79/21/60/922792160.db2.gz FYFRCEAGTNNKHU-ZUDLEECWSA-N 2 1 399.579 3.790 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147295 922807925 /nfs/dbraw/zinc/80/79/25/922807925.db2.gz GVLQKHUFWOGWRK-QPPBQGQZSA-N 2 1 398.522 3.650 20 0 GHADMP Cc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc(C)c1OCc1ccccn1 ZINC000903958210 923437778 /nfs/dbraw/zinc/43/77/78/923437778.db2.gz XDYPORRROSFBEX-GOSISDBHSA-N 2 1 375.463 3.612 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)c2cccs2)CC1 ZINC000677129570 924251697 /nfs/dbraw/zinc/25/16/97/924251697.db2.gz MZGKMFYNXLMWRD-MOPGFXCFSA-N 2 1 377.504 3.592 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000677175096 924269569 /nfs/dbraw/zinc/26/95/69/924269569.db2.gz YVNBHDJIBSTLNK-UHFFFAOYSA-N 2 1 379.548 3.923 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000370725626 924275390 /nfs/dbraw/zinc/27/53/90/924275390.db2.gz UNMILUXXIPRLNR-OFNKIYASSA-N 2 1 394.563 3.640 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000370725626 924275396 /nfs/dbraw/zinc/27/53/96/924275396.db2.gz UNMILUXXIPRLNR-OFNKIYASSA-N 2 1 394.563 3.640 20 0 GHADMP C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371349481 924538056 /nfs/dbraw/zinc/53/80/56/924538056.db2.gz JAJWEMWZUHBUQX-KXBFYZLASA-N 2 1 392.469 3.716 20 0 GHADMP COc1cc(OC)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000678138970 924628086 /nfs/dbraw/zinc/62/80/86/924628086.db2.gz GGEILWBZNWJHHC-UHFFFAOYSA-N 2 1 376.541 3.800 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1ccco1 ZINC000409451943 924642392 /nfs/dbraw/zinc/64/23/92/924642392.db2.gz DVSHSVOGDOTPPG-JOCHJYFZSA-N 2 1 391.515 3.944 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1ccco1 ZINC000409451943 924642405 /nfs/dbraw/zinc/64/24/05/924642405.db2.gz DVSHSVOGDOTPPG-JOCHJYFZSA-N 2 1 391.515 3.944 20 0 GHADMP Clc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343653 924735100 /nfs/dbraw/zinc/73/51/00/924735100.db2.gz WCIYPSJHPOEMFO-PMACEKPBSA-N 2 1 392.934 3.903 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1)C[C@@H]1CCCCO1 ZINC000678798364 924927488 /nfs/dbraw/zinc/92/74/88/924927488.db2.gz XHJRMJCVWIXUPY-VXKWHMMOSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1)C[C@@H]1CCCCO1 ZINC000678798364 924927495 /nfs/dbraw/zinc/92/74/95/924927495.db2.gz XHJRMJCVWIXUPY-VXKWHMMOSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1)C[C@@H]1CCCCO1 ZINC000678798364 924927498 /nfs/dbraw/zinc/92/74/98/924927498.db2.gz XHJRMJCVWIXUPY-VXKWHMMOSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1)C[C@@H]1CCCCO1 ZINC000678798364 924927505 /nfs/dbraw/zinc/92/75/05/924927505.db2.gz XHJRMJCVWIXUPY-VXKWHMMOSA-N 2 1 387.568 3.889 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)o2)cc1C ZINC000371962587 925025610 /nfs/dbraw/zinc/02/56/10/925025610.db2.gz MIAWCJFBFIJENG-PZJWPPBQSA-N 2 1 397.567 3.515 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)o2)cc1C ZINC000371962587 925025621 /nfs/dbraw/zinc/02/56/21/925025621.db2.gz MIAWCJFBFIJENG-PZJWPPBQSA-N 2 1 397.567 3.515 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000410345552 925555230 /nfs/dbraw/zinc/55/52/30/925555230.db2.gz BYUODELKEIKPHS-FQEVSTJZSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1F ZINC000373386957 926073560 /nfs/dbraw/zinc/07/35/60/926073560.db2.gz UILAQMLYZYMXIR-UHFFFAOYSA-N 2 1 396.857 3.844 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000682654938 926198374 /nfs/dbraw/zinc/19/83/74/926198374.db2.gz VQPDUDSLYXQRAT-FGZHOGPDSA-N 2 1 396.535 3.584 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000389150027 926384913 /nfs/dbraw/zinc/38/49/13/926384913.db2.gz XFMKTHQQCFHSJO-HXUWFJFHSA-N 2 1 378.438 3.993 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000411549885 926511254 /nfs/dbraw/zinc/51/12/54/926511254.db2.gz IHXMEXDWZZFLMC-IERDGZPVSA-N 2 1 387.474 3.794 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(OC(C)C)cc1 ZINC000726489670 926703842 /nfs/dbraw/zinc/70/38/42/926703842.db2.gz CNEFIDIHQFTWFM-IBGZPJMESA-N 2 1 392.613 3.519 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000412170678 927171081 /nfs/dbraw/zinc/17/10/81/927171081.db2.gz DLCNXSANMIFWPC-NOZRDPDXSA-N 2 1 397.607 3.835 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000750832449 927881914 /nfs/dbraw/zinc/88/19/14/927881914.db2.gz BIGUYRNNUMCABH-UHFFFAOYSA-N 2 1 394.563 3.923 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000543881796 928530519 /nfs/dbraw/zinc/53/05/19/928530519.db2.gz QDQLXENUGCENBQ-HXUWFJFHSA-N 2 1 378.605 3.547 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000467174316 928788160 /nfs/dbraw/zinc/78/81/60/928788160.db2.gz UJGXSEIONULLEJ-KRWDZBQOSA-N 2 1 393.597 3.558 20 0 GHADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)Cn1c3ccccc3c3ccccc31)CC2 ZINC000544133311 928849019 /nfs/dbraw/zinc/84/90/19/928849019.db2.gz WXIHKTPVXGHKLH-LJQANCHMSA-N 2 1 377.532 3.716 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)[C@H](c2ccccc2)C1 ZINC000467315080 928950396 /nfs/dbraw/zinc/95/03/96/928950396.db2.gz YZPUBOHAAOWHBE-XZOQPEGZSA-N 2 1 382.527 3.640 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000544229018 928954786 /nfs/dbraw/zinc/95/47/86/928954786.db2.gz FZORROGBWVLWCQ-NRFANRHFSA-N 2 1 398.595 3.828 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)Cn3c[nH+]c4c3CCCC4)c2)CC1 ZINC000544659551 929396915 /nfs/dbraw/zinc/39/69/15/929396915.db2.gz XCPNBOQVIXZIIW-UHFFFAOYSA-N 2 1 380.536 3.675 20 0 GHADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469287783 929763998 /nfs/dbraw/zinc/76/39/98/929763998.db2.gz SBVLMJJXCQIMPL-AYBZRNKSSA-N 2 1 380.458 3.963 20 0 GHADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469287783 929764008 /nfs/dbraw/zinc/76/40/08/929764008.db2.gz SBVLMJJXCQIMPL-AYBZRNKSSA-N 2 1 380.458 3.963 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546015949 929774594 /nfs/dbraw/zinc/77/45/94/929774594.db2.gz HJTFTTZXZCUFDB-WOJBJXKFSA-N 2 1 385.596 3.914 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@@H]32)cc1 ZINC000546052012 929807165 /nfs/dbraw/zinc/80/71/65/929807165.db2.gz HJVHPHMILZWFJL-VXKWHMMOSA-N 2 1 391.563 3.958 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@@H]32)cc1 ZINC000546052012 929807173 /nfs/dbraw/zinc/80/71/73/929807173.db2.gz HJVHPHMILZWFJL-VXKWHMMOSA-N 2 1 391.563 3.958 20 0 GHADMP COc1cc2c(cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000546056177 929812106 /nfs/dbraw/zinc/81/21/06/929812106.db2.gz NWLAUTVDJDUGOD-PKOBYXMFSA-N 2 1 382.504 3.814 20 0 GHADMP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000758324251 930010737 /nfs/dbraw/zinc/01/07/37/930010737.db2.gz LXRIVTDDULPSPE-UHFFFAOYSA-N 2 1 384.973 3.630 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469763466 930145834 /nfs/dbraw/zinc/14/58/34/930145834.db2.gz JTPXEMQCDBZXHU-IAGOWNOFSA-N 2 1 399.501 3.532 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000469791028 930163980 /nfs/dbraw/zinc/16/39/80/930163980.db2.gz OQVSYAAWNDAEFF-HKBOAZHASA-N 2 1 389.584 3.665 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000469791028 930163985 /nfs/dbraw/zinc/16/39/85/930163985.db2.gz OQVSYAAWNDAEFF-HKBOAZHASA-N 2 1 389.584 3.665 20 0 GHADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000470368026 930565792 /nfs/dbraw/zinc/56/57/92/930565792.db2.gz WBQQEIGGIUGWQI-UTKZUKDTSA-N 2 1 399.966 3.931 20 0 GHADMP C[N@@H+]1CCCC12CCN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)CC2 ZINC000546973911 930575689 /nfs/dbraw/zinc/57/56/89/930575689.db2.gz ROZQEDABHQCYLU-UHFFFAOYSA-N 2 1 391.559 3.776 20 0 GHADMP C[N@H+]1CCCC12CCN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)CC2 ZINC000546973911 930575690 /nfs/dbraw/zinc/57/56/90/930575690.db2.gz ROZQEDABHQCYLU-UHFFFAOYSA-N 2 1 391.559 3.776 20 0 GHADMP C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780879306 930625224 /nfs/dbraw/zinc/62/52/24/930625224.db2.gz PZXPGTCAKUHVQO-ICSRJNTNSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780879305 930625339 /nfs/dbraw/zinc/62/53/39/930625339.db2.gz PZXPGTCAKUHVQO-AZUAARDMSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781379973 930823422 /nfs/dbraw/zinc/82/34/22/930823422.db2.gz ZLIDAOPUZICFJT-YDPTZXBUSA-N 2 1 390.616 3.736 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)c(F)c1 ZINC000781419868 930836618 /nfs/dbraw/zinc/83/66/18/930836618.db2.gz FSDIOAOEQASPTH-DAVBRLECSA-N 2 1 386.486 3.889 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000470736775 930870226 /nfs/dbraw/zinc/87/02/26/930870226.db2.gz LSYCJIJJWIYMSV-NRFANRHFSA-N 2 1 398.595 3.546 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739456 930874229 /nfs/dbraw/zinc/87/42/29/930874229.db2.gz BBYXDSAVXTXUIK-ICSRJNTNSA-N 2 1 392.613 3.504 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000470748931 930880156 /nfs/dbraw/zinc/88/01/56/930880156.db2.gz HVXSTAPZGPSANU-HSZRJFAPSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H](CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000471091428 931143753 /nfs/dbraw/zinc/14/37/53/931143753.db2.gz SMYKRYZLYIRZQF-TZIWHRDSSA-N 2 1 398.551 3.626 20 0 GHADMP CCOCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000782951722 931372634 /nfs/dbraw/zinc/37/26/34/931372634.db2.gz DFRISJRMZBHPPF-LJQANCHMSA-N 2 1 384.520 3.570 20 0 GHADMP CCOCOc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000782951722 931372639 /nfs/dbraw/zinc/37/26/39/931372639.db2.gz DFRISJRMZBHPPF-LJQANCHMSA-N 2 1 384.520 3.570 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCCS2 ZINC000783238271 931471150 /nfs/dbraw/zinc/47/11/50/931471150.db2.gz GHDNKIBWHPKQCT-UYAOXDASSA-N 2 1 376.566 3.855 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000557640111 931589453 /nfs/dbraw/zinc/58/94/53/931589453.db2.gz HXKSGBYQXVYMLZ-LADGPHEKSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557640111 931589456 /nfs/dbraw/zinc/58/94/56/931589456.db2.gz HXKSGBYQXVYMLZ-LADGPHEKSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557640111 931589460 /nfs/dbraw/zinc/58/94/60/931589460.db2.gz HXKSGBYQXVYMLZ-LADGPHEKSA-N 2 1 381.564 3.518 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000924954073 931593715 /nfs/dbraw/zinc/59/37/15/931593715.db2.gz USWZJQAXUGLRCK-MRXNPFEDSA-N 2 1 376.545 3.597 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1OC ZINC000557844033 931718089 /nfs/dbraw/zinc/71/80/89/931718089.db2.gz KMIFWLGXPSVGRK-PXNSSMCTSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1OC ZINC000557844033 931718090 /nfs/dbraw/zinc/71/80/90/931718090.db2.gz KMIFWLGXPSVGRK-PXNSSMCTSA-N 2 1 384.520 3.855 20 0 GHADMP O=C1C[C@H](c2ccccc2F)CN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000783976175 931737154 /nfs/dbraw/zinc/73/71/54/931737154.db2.gz VFGZHUOMAWREPL-FQEVSTJZSA-N 2 1 387.543 3.687 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000783980733 931740035 /nfs/dbraw/zinc/74/00/35/931740035.db2.gz XIJDTECMOQLESS-HSZRJFAPSA-N 2 1 379.548 3.852 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000783980733 931740039 /nfs/dbraw/zinc/74/00/39/931740039.db2.gz XIJDTECMOQLESS-HSZRJFAPSA-N 2 1 379.548 3.852 20 0 GHADMP CC(C)[C@H](CNc1cc[nH+]c2cc(Br)ccc12)[NH+]1CCOCC1 ZINC000558076614 931829973 /nfs/dbraw/zinc/82/99/73/931829973.db2.gz UHDLWVBFDYQVPT-SFHVURJKSA-N 2 1 378.314 3.766 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784507255 931916962 /nfs/dbraw/zinc/91/69/62/931916962.db2.gz UOQZOSRYFRUXBA-OTWHNJEPSA-N 2 1 376.545 3.597 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784507255 931916964 /nfs/dbraw/zinc/91/69/64/931916964.db2.gz UOQZOSRYFRUXBA-OTWHNJEPSA-N 2 1 376.545 3.597 20 0 GHADMP C[C@@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926112600 932053173 /nfs/dbraw/zinc/05/31/73/932053173.db2.gz ZRHZTKQSJSVXSG-PPXMBRMGSA-N 2 1 387.568 3.790 20 0 GHADMP Cc1cccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccn2)c1 ZINC000926691684 932273900 /nfs/dbraw/zinc/27/39/00/932273900.db2.gz URYBYNFQYGCUGK-ILBGXUMGSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1cccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccn2)c1 ZINC000926691684 932273904 /nfs/dbraw/zinc/27/39/04/932273904.db2.gz URYBYNFQYGCUGK-ILBGXUMGSA-N 2 1 387.527 3.836 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926926603 932351475 /nfs/dbraw/zinc/35/14/75/932351475.db2.gz BQJKRULVQKIWJZ-OSYLJGHBSA-N 2 1 378.442 3.724 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926926603 932351483 /nfs/dbraw/zinc/35/14/83/932351483.db2.gz BQJKRULVQKIWJZ-OSYLJGHBSA-N 2 1 378.442 3.724 20 0 GHADMP CCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000798273031 932585774 /nfs/dbraw/zinc/58/57/74/932585774.db2.gz OTNXJJVDDHHDOQ-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP CCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000798273031 932585778 /nfs/dbraw/zinc/58/57/78/932585778.db2.gz OTNXJJVDDHHDOQ-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000798525737 932689866 /nfs/dbraw/zinc/68/98/66/932689866.db2.gz CPSCLZOIKZRBIY-GGAORHGYSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000798525737 932689871 /nfs/dbraw/zinc/68/98/71/932689871.db2.gz CPSCLZOIKZRBIY-GGAORHGYSA-N 2 1 399.966 3.971 20 0 GHADMP C[C@@]1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798528884 932692570 /nfs/dbraw/zinc/69/25/70/932692570.db2.gz HGNUOFXVAQFHEE-VWLOTQADSA-N 2 1 391.559 3.924 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559566295 932735896 /nfs/dbraw/zinc/73/58/96/932735896.db2.gz FQZBFYQXZJIEHW-AUUYWEPGSA-N 2 1 386.858 3.550 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933994 932821557 /nfs/dbraw/zinc/82/15/57/932821557.db2.gz ALZOKYBVBBLMGI-NTKDMRAZSA-N 2 1 392.547 3.779 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000798957278 932839390 /nfs/dbraw/zinc/83/93/90/932839390.db2.gz QDYKHCDBKGOYKO-UHFFFAOYSA-N 3 1 384.612 3.525 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)C2)CC1 ZINC000798957062 932839448 /nfs/dbraw/zinc/83/94/48/932839448.db2.gz KWXWEKZAPYRUTG-UHFFFAOYSA-N 2 1 394.350 3.882 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)C2)CC1 ZINC000798957062 932839456 /nfs/dbraw/zinc/83/94/56/932839456.db2.gz KWXWEKZAPYRUTG-UHFFFAOYSA-N 2 1 394.350 3.882 20 0 GHADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000799341284 932958328 /nfs/dbraw/zinc/95/83/28/932958328.db2.gz RSUOWMVVLUAGCG-RYQLBKOJSA-N 2 1 378.442 3.819 20 0 GHADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000799341284 932958335 /nfs/dbraw/zinc/95/83/35/932958335.db2.gz RSUOWMVVLUAGCG-RYQLBKOJSA-N 2 1 378.442 3.819 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000560570617 933353307 /nfs/dbraw/zinc/35/33/07/933353307.db2.gz PGKXADKVNCWTFZ-SFHVURJKSA-N 2 1 383.540 3.520 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929427559 933416207 /nfs/dbraw/zinc/41/62/07/933416207.db2.gz IWTDZNWWOQEPBL-FMWKFLBASA-N 2 1 377.523 3.526 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC001116288641 933458938 /nfs/dbraw/zinc/45/89/38/933458938.db2.gz LWDHOBQJWLDVAE-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC001116288641 933458942 /nfs/dbraw/zinc/45/89/42/933458942.db2.gz LWDHOBQJWLDVAE-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP CC[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC000560745079 933521083 /nfs/dbraw/zinc/52/10/83/933521083.db2.gz YQPLYEPEYDDWNU-JKSUJKDBSA-N 2 1 393.881 3.722 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC001116407063 933541978 /nfs/dbraw/zinc/54/19/78/933541978.db2.gz AAMRZWTZHLRREB-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001116407063 933541985 /nfs/dbraw/zinc/54/19/85/933541985.db2.gz AAMRZWTZHLRREB-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001116407063 933541992 /nfs/dbraw/zinc/54/19/92/933541992.db2.gz AAMRZWTZHLRREB-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC001118198608 934105894 /nfs/dbraw/zinc/10/58/94/934105894.db2.gz QJKAHDRZLJWRSL-QHCPKHFHSA-N 2 1 391.559 3.552 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001118875510 934273740 /nfs/dbraw/zinc/27/37/40/934273740.db2.gz MTUCJUKMLWZZAE-FYYLOGMGSA-N 2 1 385.596 3.868 20 0 GHADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561865481 934517487 /nfs/dbraw/zinc/51/74/87/934517487.db2.gz QWAYQRDYAOZBRF-KDURUIRLSA-N 2 1 382.589 3.567 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2ccnn2)c1 ZINC000562024635 934641282 /nfs/dbraw/zinc/64/12/82/934641282.db2.gz LVZXHDNOVXOYTD-MSOLQXFVSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2ccnn2)c1 ZINC000562024635 934641284 /nfs/dbraw/zinc/64/12/84/934641284.db2.gz LVZXHDNOVXOYTD-MSOLQXFVSA-N 2 1 381.549 3.892 20 0 GHADMP COC(=O)c1oc([C@H](C)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C ZINC000562060487 934665098 /nfs/dbraw/zinc/66/50/98/934665098.db2.gz UAUADCIAPMORMK-SXLOBPIMSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000562060487 934665102 /nfs/dbraw/zinc/66/51/02/934665102.db2.gz UAUADCIAPMORMK-SXLOBPIMSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000562060487 934665115 /nfs/dbraw/zinc/66/51/15/934665115.db2.gz UAUADCIAPMORMK-SXLOBPIMSA-N 2 1 382.504 3.890 20 0 GHADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001121997788 934800641 /nfs/dbraw/zinc/80/06/41/934800641.db2.gz IBXKOVUFARZNIV-QHCPKHFHSA-N 2 1 395.572 3.522 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)cc1 ZINC001137898357 935853800 /nfs/dbraw/zinc/85/38/00/935853800.db2.gz POKGQWUHOLKOOX-UHFFFAOYSA-N 2 1 392.591 3.976 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041466 935946228 /nfs/dbraw/zinc/94/62/28/935946228.db2.gz BRTODPTZJOUEPA-NKKJXINNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041466 935946230 /nfs/dbraw/zinc/94/62/30/935946230.db2.gz BRTODPTZJOUEPA-NKKJXINNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041466 935946233 /nfs/dbraw/zinc/94/62/33/935946233.db2.gz BRTODPTZJOUEPA-NKKJXINNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041466 935946237 /nfs/dbraw/zinc/94/62/37/935946237.db2.gz BRTODPTZJOUEPA-NKKJXINNSA-N 2 1 393.531 3.739 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001625791623 1014168617 /nfs/dbraw/zinc/16/86/17/1014168617.db2.gz BCQGOANSQLMZNU-OAQYLSRUSA-N 2 1 391.987 3.933 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001625791623 1014168632 /nfs/dbraw/zinc/16/86/32/1014168632.db2.gz BCQGOANSQLMZNU-OAQYLSRUSA-N 2 1 391.987 3.933 20 0 GHADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]c1 ZINC000175387410 1014755385 /nfs/dbraw/zinc/75/53/85/1014755385.db2.gz HFGFLYGESBSSJK-TZIWHRDSSA-N 2 1 395.551 3.544 20 0 GHADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]c1 ZINC000175387410 1014755399 /nfs/dbraw/zinc/75/53/99/1014755399.db2.gz HFGFLYGESBSSJK-TZIWHRDSSA-N 2 1 395.551 3.544 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC001626111792 1014923108 /nfs/dbraw/zinc/92/31/08/1014923108.db2.gz SHCLSVNNDGYUDQ-APWZRJJASA-N 2 1 399.501 3.936 20 0 GHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544894881 1015170699 /nfs/dbraw/zinc/17/06/99/1015170699.db2.gz YHTVLKWXURKJAB-VWPQPMDRSA-N 2 1 379.548 3.733 20 0 GHADMP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000468377744 1015642984 /nfs/dbraw/zinc/64/29/84/1015642984.db2.gz QLWOHLXMIPDUHS-SFHVURJKSA-N 2 1 377.598 3.932 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1OC ZINC000468555889 1015802538 /nfs/dbraw/zinc/80/25/38/1015802538.db2.gz RNBUGNYZKLDKLI-SFHVURJKSA-N 2 1 390.568 3.648 20 0 GHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cccc21 ZINC000468873489 1016150952 /nfs/dbraw/zinc/15/09/52/1016150952.db2.gz GBJVPMUOMRODIT-LEWJYISDSA-N 2 1 379.504 3.675 20 0 GHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cccc21 ZINC000468873489 1016150957 /nfs/dbraw/zinc/15/09/57/1016150957.db2.gz GBJVPMUOMRODIT-LEWJYISDSA-N 2 1 379.504 3.675 20 0 GHADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000546563797 1016673600 /nfs/dbraw/zinc/67/36/00/1016673600.db2.gz JTPVGORTPZAUAQ-LJQANCHMSA-N 2 1 380.410 3.654 20 0 GHADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000546563797 1016673623 /nfs/dbraw/zinc/67/36/23/1016673623.db2.gz JTPVGORTPZAUAQ-LJQANCHMSA-N 2 1 380.410 3.654 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C[C@H]1C ZINC001220874524 1032164186 /nfs/dbraw/zinc/16/41/86/1032164186.db2.gz RUBHANPSBKYJIG-AQNXPRMDSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C[C@H]1C ZINC001220874524 1032164195 /nfs/dbraw/zinc/16/41/95/1032164195.db2.gz RUBHANPSBKYJIG-AQNXPRMDSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C[C@H]1C ZINC001220874524 1032164205 /nfs/dbraw/zinc/16/42/05/1032164205.db2.gz RUBHANPSBKYJIG-AQNXPRMDSA-N 2 1 386.584 3.685 20 0 GHADMP O=C(NCC1(CC2CCC2)CC[NH2+]CC1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001221127409 1032296898 /nfs/dbraw/zinc/29/68/98/1032296898.db2.gz DHHWINSNHYBXDG-UHFFFAOYSA-N 2 1 395.591 3.717 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC001221397081 1032394697 /nfs/dbraw/zinc/39/46/97/1032394697.db2.gz FCWZFTOWQAOIKO-LOSJGSFVSA-N 2 1 399.538 3.690 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC001221397081 1032394706 /nfs/dbraw/zinc/39/47/06/1032394706.db2.gz FCWZFTOWQAOIKO-LOSJGSFVSA-N 2 1 399.538 3.690 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC001221445412 1032418770 /nfs/dbraw/zinc/41/87/70/1032418770.db2.gz HPKBAPNCTKUUKY-IRLDBZIGSA-N 2 1 388.600 3.519 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc(C4CC4)n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155361747 1032519337 /nfs/dbraw/zinc/51/93/37/1032519337.db2.gz NEGXXELDKQHTTJ-OAQYLSRUSA-N 2 1 376.548 3.873 20 0 GHADMP C(c1nc2sc3c(c2c(N[C@@]24CCC[C@@H]2[NH2+]CC4)n1)CCC3)[NH+]1CCCCC1 ZINC001155411032 1032533730 /nfs/dbraw/zinc/53/37/30/1032533730.db2.gz REWILSRMEJEDFX-HTAPYJJXSA-N 2 1 397.592 3.862 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001221792603 1032536138 /nfs/dbraw/zinc/53/61/38/1032536138.db2.gz ULJAOELYZLPYGL-VQTJNVASSA-N 2 1 394.991 3.897 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1 ZINC001204177100 1032627820 /nfs/dbraw/zinc/62/78/20/1032627820.db2.gz WOKWKFLIFGZDLD-HSZRJFAPSA-N 2 1 379.548 3.900 20 0 GHADMP CC[N@H+]1CC[C@H](Nc2cc(NC(=O)C[NH+]3CCCC[C@@H]3C)ccc2F)[C@@H](C)C1 ZINC000561887734 1017969536 /nfs/dbraw/zinc/96/95/36/1017969536.db2.gz MATKJABBIIXWDS-ZWOKBUDYSA-N 2 1 390.547 3.781 20 0 GHADMP CC[NH+]1CC[C@H](Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)[C@@H](C)C1 ZINC000561887734 1017969539 /nfs/dbraw/zinc/96/95/39/1017969539.db2.gz MATKJABBIIXWDS-ZWOKBUDYSA-N 2 1 390.547 3.781 20 0 GHADMP CC[NH+]1CC[C@H](Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)[C@@H](C)C1 ZINC000561887734 1017969541 /nfs/dbraw/zinc/96/95/41/1017969541.db2.gz MATKJABBIIXWDS-ZWOKBUDYSA-N 2 1 390.547 3.781 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969690 1017996120 /nfs/dbraw/zinc/99/61/20/1017996120.db2.gz RKCYWXYDGHFNTK-VWLOTQADSA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969690 1017996127 /nfs/dbraw/zinc/99/61/27/1017996127.db2.gz RKCYWXYDGHFNTK-VWLOTQADSA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969690 1017996134 /nfs/dbraw/zinc/99/61/34/1017996134.db2.gz RKCYWXYDGHFNTK-VWLOTQADSA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969690 1017996136 /nfs/dbraw/zinc/99/61/36/1017996136.db2.gz RKCYWXYDGHFNTK-VWLOTQADSA-N 2 1 391.559 3.621 20 0 GHADMP c1nn(-c2cc[nH+]cc2)cc1-c1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000562780588 1018631202 /nfs/dbraw/zinc/63/12/02/1018631202.db2.gz FJKYKHGCEIDITL-UHFFFAOYSA-N 2 1 386.459 3.970 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000562987737 1018893354 /nfs/dbraw/zinc/89/33/54/1018893354.db2.gz KCMDAXQGLPCONK-HKUYNNGSSA-N 2 1 376.504 3.586 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000563618451 1018936048 /nfs/dbraw/zinc/93/60/48/1018936048.db2.gz USAXNARAJVQJLU-VQTJNVASSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000563618451 1018936050 /nfs/dbraw/zinc/93/60/50/1018936050.db2.gz USAXNARAJVQJLU-VQTJNVASSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973578 1019133404 /nfs/dbraw/zinc/13/34/04/1019133404.db2.gz RZMHYVZRSCVGAB-IBGZPJMESA-N 2 1 389.341 3.519 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973578 1019133411 /nfs/dbraw/zinc/13/34/11/1019133411.db2.gz RZMHYVZRSCVGAB-IBGZPJMESA-N 2 1 389.341 3.519 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000567364865 1019286005 /nfs/dbraw/zinc/28/60/05/1019286005.db2.gz WUQFNCXRQMIWQV-RZUBCFFCSA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000567364865 1019286011 /nfs/dbraw/zinc/28/60/11/1019286011.db2.gz WUQFNCXRQMIWQV-RZUBCFFCSA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000567364865 1019286017 /nfs/dbraw/zinc/28/60/17/1019286017.db2.gz WUQFNCXRQMIWQV-RZUBCFFCSA-N 2 1 397.588 3.769 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000568627452 1019431081 /nfs/dbraw/zinc/43/10/81/1019431081.db2.gz AHJGUJKMOBSUQZ-IFMALSPDSA-N 2 1 393.510 3.579 20 0 GHADMP COc1cc2[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)ccc2c(OC)c1 ZINC001156000673 1032834774 /nfs/dbraw/zinc/83/47/74/1032834774.db2.gz BURLBAQETVGBLT-UHFFFAOYSA-N 2 1 378.476 3.726 20 0 GHADMP FC(F)Oc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001204422258 1032853371 /nfs/dbraw/zinc/85/33/71/1032853371.db2.gz WFPPLIOXKUXVJF-UHFFFAOYSA-N 2 1 390.478 3.529 20 0 GHADMP CC[N@@H+](Cc1ccnn1-c1ccccc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000576672663 1020051038 /nfs/dbraw/zinc/05/10/38/1020051038.db2.gz ZWUOAGGQGITDGP-UHFFFAOYSA-N 2 1 378.520 3.965 20 0 GHADMP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000577449631 1020189722 /nfs/dbraw/zinc/18/97/22/1020189722.db2.gz NRDQZBSXZCCTTH-RBBKRZOGSA-N 2 1 399.966 3.628 20 0 GHADMP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000577449631 1020189727 /nfs/dbraw/zinc/18/97/27/1020189727.db2.gz NRDQZBSXZCCTTH-RBBKRZOGSA-N 2 1 399.966 3.628 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccncc3OCC[NH+](C)C)s2)cc1 ZINC000577538242 1020229985 /nfs/dbraw/zinc/22/99/85/1020229985.db2.gz IZPBLGWDRNUJJN-UHFFFAOYSA-N 2 1 382.533 3.744 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204446038 1032886324 /nfs/dbraw/zinc/88/63/24/1032886324.db2.gz CGGFWOMNYQBYQF-XMMPIXPASA-N 2 1 396.579 3.812 20 0 GHADMP Cc1cc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC000579577659 1020424355 /nfs/dbraw/zinc/42/43/55/1020424355.db2.gz KGLVQUGASKDKAJ-UHFFFAOYSA-N 2 1 378.520 3.516 20 0 GHADMP C[C@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633154995 1020922927 /nfs/dbraw/zinc/92/29/27/1020922927.db2.gz FVLFYKVBCYNYSS-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2cc(-n3ccnc3)cc[nH+]2)cc1 ZINC001156293423 1032962696 /nfs/dbraw/zinc/96/26/96/1032962696.db2.gz FFDZOAHJOKGUSR-OAQYLSRUSA-N 2 1 391.519 3.767 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001228526732 1032971931 /nfs/dbraw/zinc/97/19/31/1032971931.db2.gz NBTHHWYQBRSJHT-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ncccc4C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001156317895 1032981884 /nfs/dbraw/zinc/98/18/84/1032981884.db2.gz NKYOONICPHFAPD-WWNPGLIZSA-N 2 1 376.548 4.000 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4nc(N5CCCCC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001156318208 1032982576 /nfs/dbraw/zinc/98/25/76/1032982576.db2.gz QGEVFXWDIZDQSZ-PWRODBHTSA-N 2 1 377.536 3.789 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4nc(N5CCCCC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001156318208 1032982582 /nfs/dbraw/zinc/98/25/82/1032982582.db2.gz QGEVFXWDIZDQSZ-PWRODBHTSA-N 2 1 377.536 3.789 20 0 GHADMP CN(C(=O)c1cc2ccsc2[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000677291114 1021815118 /nfs/dbraw/zinc/81/51/18/1021815118.db2.gz UJSDZXBYJKFGAC-MOPGFXCFSA-N 2 1 388.581 3.639 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000835068333 1021855464 /nfs/dbraw/zinc/85/54/64/1021855464.db2.gz GHASHFUCRJSLOC-FUHWJXTLSA-N 2 1 399.539 3.558 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000678285341 1021916644 /nfs/dbraw/zinc/91/66/44/1021916644.db2.gz WZVLPZPJIOXUFX-FQEVSTJZSA-N 2 1 396.535 3.766 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001140524760 1021919087 /nfs/dbraw/zinc/91/90/87/1021919087.db2.gz SVHURYWEVUIGQE-MOPGFXCFSA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001140524760 1021919088 /nfs/dbraw/zinc/91/90/88/1021919088.db2.gz SVHURYWEVUIGQE-MOPGFXCFSA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001140524760 1021919093 /nfs/dbraw/zinc/91/90/93/1021919093.db2.gz SVHURYWEVUIGQE-MOPGFXCFSA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140654818 1022175846 /nfs/dbraw/zinc/17/58/46/1022175846.db2.gz FUWXSWBJSAYBMT-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140654818 1022175871 /nfs/dbraw/zinc/17/58/71/1022175871.db2.gz FUWXSWBJSAYBMT-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140654818 1022175887 /nfs/dbraw/zinc/17/58/87/1022175887.db2.gz FUWXSWBJSAYBMT-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000827820616 1022350167 /nfs/dbraw/zinc/35/01/67/1022350167.db2.gz DDDKUPFQYRJOPQ-QHCPKHFHSA-N 2 1 398.595 3.953 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204757218 1033071257 /nfs/dbraw/zinc/07/12/57/1033071257.db2.gz WQLCXPXKJWSZCI-SQNIBIBYSA-N 2 1 379.495 3.587 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204757218 1033071275 /nfs/dbraw/zinc/07/12/75/1033071275.db2.gz WQLCXPXKJWSZCI-SQNIBIBYSA-N 2 1 379.495 3.587 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140841743 1022676836 /nfs/dbraw/zinc/67/68/36/1022676836.db2.gz IQZQSSYGWSTMGT-UHFFFAOYSA-N 2 1 385.581 3.584 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001140896735 1022826705 /nfs/dbraw/zinc/82/67/05/1022826705.db2.gz YTOZWIXBVZUYNN-PGRDOPGGSA-N 2 1 399.966 3.923 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC001140969960 1023034086 /nfs/dbraw/zinc/03/40/86/1023034086.db2.gz AWKYTAOKNKLLGV-UHFFFAOYSA-N 3 1 392.591 3.535 20 0 GHADMP COc1cccc([C@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)c1 ZINC001140974789 1023054702 /nfs/dbraw/zinc/05/47/02/1023054702.db2.gz KYBUQAAWAHBNMP-NRFANRHFSA-N 2 1 379.548 3.827 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)OCCO5)CC[C@@H]3C2)cc1 ZINC001141042495 1023367146 /nfs/dbraw/zinc/36/71/46/1023367146.db2.gz SWMJQKHTTLYZBO-YADHBBJMSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)CC[C@@H]3C2)cc1 ZINC001141042495 1023367158 /nfs/dbraw/zinc/36/71/58/1023367158.db2.gz SWMJQKHTTLYZBO-YADHBBJMSA-N 2 1 378.516 3.802 20 0 GHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204885555 1033145285 /nfs/dbraw/zinc/14/52/85/1033145285.db2.gz WURFLXBRYZHSOD-UHFFFAOYSA-N 2 1 388.437 3.833 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC001204884920 1033145354 /nfs/dbraw/zinc/14/53/54/1033145354.db2.gz DYTFXTYOCQFVPP-VMPITWQZSA-N 2 1 396.604 3.750 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)nc1 ZINC001156636212 1033146892 /nfs/dbraw/zinc/14/68/92/1033146892.db2.gz SLOSNHMYQYTEBI-JOCHJYFZSA-N 2 1 394.563 3.753 20 0 GHADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3OCc3ccccc3)C[C@H]21 ZINC001204919120 1033165974 /nfs/dbraw/zinc/16/59/74/1033165974.db2.gz VLPGAFCMSYQUMT-LDLYASANSA-N 2 1 392.421 3.801 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)c3ccccc13)C2 ZINC001138056184 1023959555 /nfs/dbraw/zinc/95/95/55/1023959555.db2.gz OXCLEQRBPPVASV-RDPSFJRHSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(O)c3ccccc13)C2 ZINC001138056184 1023959557 /nfs/dbraw/zinc/95/95/57/1023959557.db2.gz OXCLEQRBPPVASV-RDPSFJRHSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(O)c3ccccc13)C2 ZINC001138056184 1023959562 /nfs/dbraw/zinc/95/95/62/1023959562.db2.gz OXCLEQRBPPVASV-RDPSFJRHSA-N 2 1 380.532 3.726 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001204938340 1033177654 /nfs/dbraw/zinc/17/76/54/1033177654.db2.gz QMZMOUZRZSEMNR-YTFSRNRJSA-N 2 1 378.516 3.864 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(-c3ccc(F)cc3)n2)CC1 ZINC001141207581 1024132805 /nfs/dbraw/zinc/13/28/05/1024132805.db2.gz GPHQNQCMDREOQI-UHFFFAOYSA-N 2 1 384.543 3.737 20 0 GHADMP C[N@H+]1CCc2cc(O[C@H]3CCCN(Cc4cnc(Cl)s4)C3)ccc2C1 ZINC001228944950 1033193130 /nfs/dbraw/zinc/19/31/30/1033193130.db2.gz QFJFRCMNLMRYBD-KRWDZBQOSA-N 2 1 377.941 3.828 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276597 1024527521 /nfs/dbraw/zinc/52/75/21/1024527521.db2.gz OFBZRKIKPTUGAA-STQMWFEESA-N 2 1 384.471 3.551 20 0 GHADMP O=C1CC[C@H](C[N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)N1 ZINC001202820950 1024730478 /nfs/dbraw/zinc/73/04/78/1024730478.db2.gz GMXPEHUNLJVPHV-JOCHJYFZSA-N 2 1 383.580 3.814 20 0 GHADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001138415336 1024802742 /nfs/dbraw/zinc/80/27/42/1024802742.db2.gz BXCOXEILFSKGLA-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001138415336 1024802760 /nfs/dbraw/zinc/80/27/60/1024802760.db2.gz BXCOXEILFSKGLA-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)cc2c1 ZINC001138415336 1024802781 /nfs/dbraw/zinc/80/27/81/1024802781.db2.gz BXCOXEILFSKGLA-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1nccn1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1 ZINC001138544485 1024988615 /nfs/dbraw/zinc/98/86/15/1024988615.db2.gz JKQGJRFSRBNIEN-BGYRXZFFSA-N 2 1 382.508 3.764 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)cc1 ZINC001138548338 1024994690 /nfs/dbraw/zinc/99/46/90/1024994690.db2.gz BBKBJVGMTAGHOJ-QFIPXVFZSA-N 2 1 386.499 3.634 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 ZINC001138550595 1024999298 /nfs/dbraw/zinc/99/92/98/1024999298.db2.gz YVZRJTOXZFVFHZ-UHFFFAOYSA-N 2 1 392.478 3.714 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001138551861 1025006563 /nfs/dbraw/zinc/00/65/63/1025006563.db2.gz OTLCHIYVLBRSMW-TYPHKJRUSA-N 2 1 396.535 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001138551861 1025006573 /nfs/dbraw/zinc/00/65/73/1025006573.db2.gz OTLCHIYVLBRSMW-TYPHKJRUSA-N 2 1 396.535 3.916 20 0 GHADMP COc1ccc2c(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c[nH]c2c1 ZINC001138587787 1025071431 /nfs/dbraw/zinc/07/14/31/1025071431.db2.gz TUNLUUCGNBAWEO-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1ccc2c(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c[nH]c2c1 ZINC001138587787 1025071450 /nfs/dbraw/zinc/07/14/50/1025071450.db2.gz TUNLUUCGNBAWEO-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1ccc2c(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c[nH]c2c1 ZINC001138587787 1025071462 /nfs/dbraw/zinc/07/14/62/1025071462.db2.gz TUNLUUCGNBAWEO-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1ccc2c(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c[nH]c2c1 ZINC001138587787 1025071476 /nfs/dbraw/zinc/07/14/76/1025071476.db2.gz TUNLUUCGNBAWEO-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001138773567 1025345045 /nfs/dbraw/zinc/34/50/45/1025345045.db2.gz HXIQZZJIMDTVEB-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP C[N@H+](Cc1ccnn1[C@@H]1CCCCO1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138782536 1025357256 /nfs/dbraw/zinc/35/72/56/1025357256.db2.gz NKGAUXWSSIZNBK-QHCPKHFHSA-N 2 1 382.552 3.926 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2)C1 ZINC000838874272 1025409857 /nfs/dbraw/zinc/40/98/57/1025409857.db2.gz RWDWZTOUDXNWJI-IBGZPJMESA-N 2 1 380.536 3.883 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc(Cl)c1)CC2 ZINC001138817808 1025417156 /nfs/dbraw/zinc/41/71/56/1025417156.db2.gz CFNYAZFXTWDXMP-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC(=O)N2CCCC2)CC1 ZINC000838901750 1025428657 /nfs/dbraw/zinc/42/86/57/1025428657.db2.gz URTIHIOIMKNKCK-UHFFFAOYSA-N 2 1 397.485 3.614 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC(=O)N2CCCC2)CC1 ZINC000838901750 1025428669 /nfs/dbraw/zinc/42/86/69/1025428669.db2.gz URTIHIOIMKNKCK-UHFFFAOYSA-N 2 1 397.485 3.614 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5c4cccc5Cl)C[C@H]3C2)cn1 ZINC001138833720 1025446682 /nfs/dbraw/zinc/44/66/82/1025446682.db2.gz PTRYSRAYEQTWPL-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5c4cccc5Cl)C[C@H]3C2)cn1 ZINC001138833720 1025446685 /nfs/dbraw/zinc/44/66/85/1025446685.db2.gz PTRYSRAYEQTWPL-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5c4cccc5Cl)C[C@H]3C2)cn1 ZINC001138833720 1025446692 /nfs/dbraw/zinc/44/66/92/1025446692.db2.gz PTRYSRAYEQTWPL-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5c4cccc5Cl)C[C@H]3C2)cn1 ZINC001138833720 1025446695 /nfs/dbraw/zinc/44/66/95/1025446695.db2.gz PTRYSRAYEQTWPL-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Fc1cnc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001138892384 1025539088 /nfs/dbraw/zinc/53/90/88/1025539088.db2.gz MYUROXWLTMNPKX-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP COc1cccc(CC2([NH3+])CCN(c3[nH+]ccc4ccc(OC)cc43)CC2)c1 ZINC001162049216 1025562581 /nfs/dbraw/zinc/56/25/81/1025562581.db2.gz FXOHXZFVMZJROA-UHFFFAOYSA-N 2 1 377.488 3.792 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(F)ccc(C4OCCO4)c3Cl)C2)CC1 ZINC000839096058 1025595364 /nfs/dbraw/zinc/59/53/64/1025595364.db2.gz KUFOHNUBKTWYKF-HNNXBMFYSA-N 2 1 382.907 3.688 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1C ZINC001141577497 1025671955 /nfs/dbraw/zinc/67/19/55/1025671955.db2.gz HRJOTKXFUZOQNC-JOCHJYFZSA-N 2 1 396.579 3.822 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N[C@H]4C[C@@](C)([NH3+])C4)c23)C1 ZINC001162328971 1025717679 /nfs/dbraw/zinc/71/76/79/1025717679.db2.gz ULYOXIPYMHPMLQ-LKBUQDJMSA-N 2 1 385.581 3.704 20 0 GHADMP CC(C)Oc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001138984552 1025718667 /nfs/dbraw/zinc/71/86/67/1025718667.db2.gz NYTWKMAAUWBLDB-UHFFFAOYSA-N 2 1 382.552 3.715 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606197 1025759817 /nfs/dbraw/zinc/75/98/17/1025759817.db2.gz AJAKPUKFVHELOM-SFHVURJKSA-N 2 1 397.519 3.530 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(Cl)c2F)[C@@H](c2ccccc2)C1 ZINC001461035987 1069349852 /nfs/dbraw/zinc/34/98/52/1069349852.db2.gz NZEMNUYLMYAVDM-HXUWFJFHSA-N 2 1 375.919 3.948 20 0 GHADMP CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001162737898 1025899358 /nfs/dbraw/zinc/89/93/58/1025899358.db2.gz TXJPDGCISYEARU-QHCPKHFHSA-N 2 1 395.547 3.746 20 0 GHADMP Fc1c2nc[nH]c2ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941235 1025977376 /nfs/dbraw/zinc/97/73/76/1025977376.db2.gz SFRYTLKRHBAQMI-SFHVURJKSA-N 2 1 393.510 3.616 20 0 GHADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1N(C)C ZINC001162941215 1025977718 /nfs/dbraw/zinc/97/77/18/1025977718.db2.gz RRTMZCVUJVADHH-QFIPXVFZSA-N 2 1 392.591 3.975 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1c[nH+]c(N3CCOCC3)cc1C)CC21CC[NH2+]CC1 ZINC001163033352 1026016433 /nfs/dbraw/zinc/01/64/33/1026016433.db2.gz DFAOUNWEMGSLNI-NRFANRHFSA-N 2 1 392.547 3.713 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296923 1026150573 /nfs/dbraw/zinc/15/05/73/1026150573.db2.gz QJJJINOLHRPSGN-ZWKOTPCHSA-N 2 1 377.598 3.548 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296923 1026150587 /nfs/dbraw/zinc/15/05/87/1026150587.db2.gz QJJJINOLHRPSGN-ZWKOTPCHSA-N 2 1 377.598 3.548 20 0 GHADMP CC[C@H]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001461064185 1069370979 /nfs/dbraw/zinc/37/09/79/1069370979.db2.gz AVGLWLMLHSTDRZ-PMACEKPBSA-N 2 1 387.568 3.653 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cn2)C[C@H](C)O1 ZINC001139386512 1026253930 /nfs/dbraw/zinc/25/39/30/1026253930.db2.gz ZRKVHGAKEFRJNI-MXNKGDRCSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cn2)C[C@H](C)O1 ZINC001139386512 1026253942 /nfs/dbraw/zinc/25/39/42/1026253942.db2.gz ZRKVHGAKEFRJNI-MXNKGDRCSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cn2)C[C@H](C)O1 ZINC001139386512 1026253954 /nfs/dbraw/zinc/25/39/54/1026253954.db2.gz ZRKVHGAKEFRJNI-MXNKGDRCSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cn2)C[C@H](C)O1 ZINC001139386512 1026253966 /nfs/dbraw/zinc/25/39/66/1026253966.db2.gz ZRKVHGAKEFRJNI-MXNKGDRCSA-N 2 1 386.584 3.534 20 0 GHADMP FC[C@H]1[C@@H]2C[N@@H+](Cc3ccccc3N3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001139513213 1026367135 /nfs/dbraw/zinc/36/71/35/1026367135.db2.gz OTLVOYPTFYHNEC-WBDAEOGXSA-N 2 1 379.523 3.656 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC001139514590 1026371057 /nfs/dbraw/zinc/37/10/57/1026371057.db2.gz LKEISFNGZZXOGM-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP C[NH+](C)C1(CNc2ccc3c(c2)[C@@H](c2ccccc2)CC(=O)N3)CC[NH+](C)CC1 ZINC001164213113 1026455961 /nfs/dbraw/zinc/45/59/61/1026455961.db2.gz PFCJPFQKLCKIQP-HXUWFJFHSA-N 2 1 392.547 3.599 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1C(C)C ZINC001139620057 1026487089 /nfs/dbraw/zinc/48/70/89/1026487089.db2.gz KKFTXFUXPQDYGR-ZJSXRUAMSA-N 2 1 386.580 3.999 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1C(C)C ZINC001139620057 1026487096 /nfs/dbraw/zinc/48/70/96/1026487096.db2.gz KKFTXFUXPQDYGR-ZJSXRUAMSA-N 2 1 386.580 3.999 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1C(C)C ZINC001139620057 1026487105 /nfs/dbraw/zinc/48/71/05/1026487105.db2.gz KKFTXFUXPQDYGR-ZJSXRUAMSA-N 2 1 386.580 3.999 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1C(C)C ZINC001139620057 1026487116 /nfs/dbraw/zinc/48/71/16/1026487116.db2.gz KKFTXFUXPQDYGR-ZJSXRUAMSA-N 2 1 386.580 3.999 20 0 GHADMP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001164483448 1026524032 /nfs/dbraw/zinc/52/40/32/1026524032.db2.gz BJINEWDASNNUMU-YUMYIRISSA-N 2 1 391.563 3.575 20 0 GHADMP Fc1cccc(O[C@H]2CC[NH2+]C2)c1Nc1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001165213495 1026669726 /nfs/dbraw/zinc/66/97/26/1026669726.db2.gz IAQNQDCSQZHITR-IBGZPJMESA-N 2 1 397.494 3.631 20 0 GHADMP Fc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C[NH+]1CCCC1 ZINC001165413248 1026721499 /nfs/dbraw/zinc/72/14/99/1026721499.db2.gz PBTRPUHGZXWSAF-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc3C2)c1 ZINC001461138519 1069409473 /nfs/dbraw/zinc/40/94/73/1069409473.db2.gz BSTUMUAAVIMGDC-HSZRJFAPSA-N 2 1 382.548 3.681 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@@H](C)O)cc1 ZINC001140023419 1026809426 /nfs/dbraw/zinc/80/94/26/1026809426.db2.gz NYFJLNCRAHYEJM-GOSISDBHSA-N 2 1 379.504 3.615 20 0 GHADMP COc1ccc(CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@@H](C)O)cc1 ZINC001140023419 1026809428 /nfs/dbraw/zinc/80/94/28/1026809428.db2.gz NYFJLNCRAHYEJM-GOSISDBHSA-N 2 1 379.504 3.615 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001140025508 1026813346 /nfs/dbraw/zinc/81/33/46/1026813346.db2.gz BZOSUIBBGMDGEH-VQIMIIECSA-N 2 1 384.524 3.916 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C)C2 ZINC001140027739 1026816958 /nfs/dbraw/zinc/81/69/58/1026816958.db2.gz XFJSFWFZRHXSJX-LJQANCHMSA-N 2 1 377.488 3.970 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C)C2 ZINC001140027739 1026816962 /nfs/dbraw/zinc/81/69/62/1026816962.db2.gz XFJSFWFZRHXSJX-LJQANCHMSA-N 2 1 377.488 3.970 20 0 GHADMP CN(CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1)C(=O)OC(C)(C)C ZINC001203005834 1026914214 /nfs/dbraw/zinc/91/42/14/1026914214.db2.gz PXELUHBZNMFHSA-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)C(=O)OC(C)(C)C ZINC001203005834 1026914215 /nfs/dbraw/zinc/91/42/15/1026914215.db2.gz PXELUHBZNMFHSA-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)C(=O)OC(C)(C)C ZINC001203005834 1026914220 /nfs/dbraw/zinc/91/42/20/1026914220.db2.gz PXELUHBZNMFHSA-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CC(C)(C)C[NH+]1CCC(Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001161207190 1026970125 /nfs/dbraw/zinc/97/01/25/1026970125.db2.gz KFMNFQGRSFKYTH-UHFFFAOYSA-N 2 1 393.579 3.957 20 0 GHADMP CC(C)(C)C[NH+]1CCC(Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001161207190 1026970130 /nfs/dbraw/zinc/97/01/30/1026970130.db2.gz KFMNFQGRSFKYTH-UHFFFAOYSA-N 2 1 393.579 3.957 20 0 GHADMP CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1=S ZINC000840151635 1027283344 /nfs/dbraw/zinc/28/33/44/1027283344.db2.gz IPATTYICMOPATN-ZWKOTPCHSA-N 2 1 396.649 3.599 20 0 GHADMP COc1ccccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001203432700 1027335375 /nfs/dbraw/zinc/33/53/75/1027335375.db2.gz SYKYHWZYCBVKQH-JOCHJYFZSA-N 2 1 380.532 3.951 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1C(F)(F)F ZINC001461233578 1069455329 /nfs/dbraw/zinc/45/53/29/1069455329.db2.gz NKDVZYFSMXQNAG-FPOVZHCZSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1C(F)(F)F ZINC001461233578 1069455332 /nfs/dbraw/zinc/45/53/32/1069455332.db2.gz NKDVZYFSMXQNAG-FPOVZHCZSA-N 2 1 392.465 3.986 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1C(F)(F)F)C2 ZINC001203685771 1027529984 /nfs/dbraw/zinc/52/99/84/1027529984.db2.gz CPNHHRIMHTZFCX-QUCCMNQESA-N 2 1 382.470 3.886 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203702006 1027542617 /nfs/dbraw/zinc/54/26/17/1027542617.db2.gz WGULGGZQNQOSCK-QHCPKHFHSA-N 2 1 386.580 3.725 20 0 GHADMP Cc1nccn1C[C@H](C)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001210806382 1027657894 /nfs/dbraw/zinc/65/78/94/1027657894.db2.gz DLLKNEQWQLDTIP-FUMNGEBKSA-N 2 1 397.567 3.521 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001210806382 1027657906 /nfs/dbraw/zinc/65/79/06/1027657906.db2.gz DLLKNEQWQLDTIP-FUMNGEBKSA-N 2 1 397.567 3.521 20 0 GHADMP C[NH+](C)C1(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCCC1 ZINC001210818799 1027662964 /nfs/dbraw/zinc/66/29/64/1027662964.db2.gz XHSZNGDHNJJGRH-UHFFFAOYSA-N 2 1 378.605 3.549 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(OC)c(O)c2)CC3)c1 ZINC001203868093 1027671266 /nfs/dbraw/zinc/67/12/66/1027671266.db2.gz NOBADUPGRXAVCB-UHFFFAOYSA-N 2 1 396.531 3.898 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001210837302 1027671710 /nfs/dbraw/zinc/67/17/10/1027671710.db2.gz PMHRHEIBWPRIKK-JOCHJYFZSA-N 2 1 398.595 3.749 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001461287188 1069481272 /nfs/dbraw/zinc/48/12/72/1069481272.db2.gz SJDPXHLERJYWSI-SFTDATJTSA-N 2 1 395.591 3.873 20 0 GHADMP CC(C)[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC001211244133 1027853298 /nfs/dbraw/zinc/85/32/98/1027853298.db2.gz DFXCFNOPVCLPBC-IRLDBZIGSA-N 2 1 388.600 3.563 20 0 GHADMP CNc1nc(Cl)ncc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502789 1029004734 /nfs/dbraw/zinc/00/47/34/1029004734.db2.gz YCGOUTAEPQFEHC-MSOLQXFVSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502789 1029004748 /nfs/dbraw/zinc/00/47/48/1029004748.db2.gz YCGOUTAEPQFEHC-MSOLQXFVSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502789 1029004761 /nfs/dbraw/zinc/00/47/61/1029004761.db2.gz YCGOUTAEPQFEHC-MSOLQXFVSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502789 1029004780 /nfs/dbraw/zinc/00/47/80/1029004780.db2.gz YCGOUTAEPQFEHC-MSOLQXFVSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502789 1029004794 /nfs/dbraw/zinc/00/47/94/1029004794.db2.gz YCGOUTAEPQFEHC-MSOLQXFVSA-N 2 1 385.943 3.516 20 0 GHADMP Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001215551330 1029276232 /nfs/dbraw/zinc/27/62/32/1029276232.db2.gz REBTTZXLXHWNOS-KRWDZBQOSA-N 2 1 392.588 3.704 20 0 GHADMP Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001215551330 1029276251 /nfs/dbraw/zinc/27/62/51/1029276251.db2.gz REBTTZXLXHWNOS-KRWDZBQOSA-N 2 1 392.588 3.704 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(Br)cnc2Cl)cc1 ZINC000842672116 1029476349 /nfs/dbraw/zinc/47/63/49/1029476349.db2.gz RWFHXVZJAFTUDB-UHFFFAOYSA-N 2 1 398.732 3.728 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCc2ccccc21 ZINC000842677645 1029485002 /nfs/dbraw/zinc/48/50/02/1029485002.db2.gz VBVZXFJDAJNDGM-RDGATRHJSA-N 2 1 376.544 3.997 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCc2ccccc21 ZINC000842677645 1029485006 /nfs/dbraw/zinc/48/50/06/1029485006.db2.gz VBVZXFJDAJNDGM-RDGATRHJSA-N 2 1 376.544 3.997 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3cccnc3[nH]1)CC2 ZINC001143215135 1029918741 /nfs/dbraw/zinc/91/87/41/1029918741.db2.gz XHUZLZVSQVWHJL-IBGZPJMESA-N 2 1 396.560 3.880 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000843364186 1029940707 /nfs/dbraw/zinc/94/07/07/1029940707.db2.gz QFIWHEWFOINCEJ-QFIPXVFZSA-N 2 1 397.950 3.621 20 0 GHADMP Brc1c(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)ccc2ccccc21 ZINC001222186888 1029993222 /nfs/dbraw/zinc/99/32/22/1029993222.db2.gz SWDVZTSMSHBYMT-UHFFFAOYSA-N 2 1 375.310 3.557 20 0 GHADMP Brc1c(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)ccc2ccccc21 ZINC001222186888 1029993226 /nfs/dbraw/zinc/99/32/26/1029993226.db2.gz SWDVZTSMSHBYMT-UHFFFAOYSA-N 2 1 375.310 3.557 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC001222195420 1029997740 /nfs/dbraw/zinc/99/77/40/1029997740.db2.gz JFUDEABQXRVIHM-VQTJNVASSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001222195420 1029997751 /nfs/dbraw/zinc/99/77/51/1029997751.db2.gz JFUDEABQXRVIHM-VQTJNVASSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001222195420 1029997755 /nfs/dbraw/zinc/99/77/55/1029997755.db2.gz JFUDEABQXRVIHM-VQTJNVASSA-N 2 1 380.621 3.841 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccccc1Oc1ccccc1)CC[NH2+]CC2 ZINC001222221708 1030015179 /nfs/dbraw/zinc/01/51/79/1030015179.db2.gz QMSSMIRLIXFNFN-NRFANRHFSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccccc1Oc1ccccc1)CC[NH2+]CC2 ZINC001222221708 1030015193 /nfs/dbraw/zinc/01/51/93/1030015193.db2.gz QMSSMIRLIXFNFN-NRFANRHFSA-N 2 1 394.515 3.986 20 0 GHADMP COc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(C)n1 ZINC001222590265 1030215467 /nfs/dbraw/zinc/21/54/67/1030215467.db2.gz GPSGCYMGHCFBJS-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(C)n1 ZINC001222590265 1030215487 /nfs/dbraw/zinc/21/54/87/1030215487.db2.gz GPSGCYMGHCFBJS-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2CCO3)cc1 ZINC001222590550 1030216727 /nfs/dbraw/zinc/21/67/27/1030216727.db2.gz JEGYDNXEOCSHPP-JOCHJYFZSA-N 2 1 392.543 3.925 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222610507 1030234395 /nfs/dbraw/zinc/23/43/95/1030234395.db2.gz ZXVQXIFHULZXJW-QGZVFWFLSA-N 2 1 397.320 3.514 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222610507 1030234407 /nfs/dbraw/zinc/23/44/07/1030234407.db2.gz ZXVQXIFHULZXJW-QGZVFWFLSA-N 2 1 397.320 3.514 20 0 GHADMP [NH3+][C@@H](Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1ccc(Cl)cc1 ZINC001217714632 1030623753 /nfs/dbraw/zinc/62/37/53/1030623753.db2.gz MWFDGXFGZHBQPE-UYAOXDASSA-N 2 1 396.922 3.825 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)c1-3 ZINC001217949794 1030681891 /nfs/dbraw/zinc/68/18/91/1030681891.db2.gz QHYBYOSQNIJRPS-NLWGTHIKSA-N 2 1 382.479 3.613 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001150935490 1030713284 /nfs/dbraw/zinc/71/32/84/1030713284.db2.gz NNWGDXSDVIUNPN-HSZRJFAPSA-N 2 1 379.548 3.574 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC001218244358 1030849215 /nfs/dbraw/zinc/84/92/15/1030849215.db2.gz OOEZSQQEORMFCR-DEOSSOPVSA-N 2 1 393.575 3.771 20 0 GHADMP [NH3+]CCc1ccc(CC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC001218847300 1031112247 /nfs/dbraw/zinc/11/22/47/1031112247.db2.gz JEWDVOZCEUJKBD-UHFFFAOYSA-N 2 1 385.511 3.885 20 0 GHADMP [NH3+]CCc1ccc(CC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC001218847300 1031112257 /nfs/dbraw/zinc/11/22/57/1031112257.db2.gz JEWDVOZCEUJKBD-UHFFFAOYSA-N 2 1 385.511 3.885 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001224843860 1031145160 /nfs/dbraw/zinc/14/51/60/1031145160.db2.gz DVXFAVWETYQKNB-LWYYNNOASA-N 2 1 394.648 3.799 20 0 GHADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001219644831 1031537258 /nfs/dbraw/zinc/53/72/58/1031537258.db2.gz GUPFJUQLZPZFPE-QKLQHJQFSA-N 2 1 377.960 3.619 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001220062107 1031761543 /nfs/dbraw/zinc/76/15/43/1031761543.db2.gz MGCQAPYBJKFKNK-REWPJTCUSA-N 2 1 393.575 3.917 20 0 GHADMP C[NH2+]CCCCNC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001220077447 1031774459 /nfs/dbraw/zinc/77/44/59/1031774459.db2.gz JPBKVXNNJUDQBM-KNQAVFIVSA-N 2 1 379.548 3.602 20 0 GHADMP C[C@@H](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCCCC1 ZINC001226093066 1031784907 /nfs/dbraw/zinc/78/49/07/1031784907.db2.gz UYICNZCEBLXFBK-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)(c2ccccc2)CC1 ZINC001153989325 1031859956 /nfs/dbraw/zinc/85/99/56/1031859956.db2.gz PEZXUWVPFAQTRC-LEWJYISDSA-N 2 1 397.607 3.809 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001220639451 1032039259 /nfs/dbraw/zinc/03/92/59/1032039259.db2.gz OFDFMTDAXSIAOA-VWPQPMDRSA-N 2 1 392.632 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001220639451 1032039272 /nfs/dbraw/zinc/03/92/72/1032039272.db2.gz OFDFMTDAXSIAOA-VWPQPMDRSA-N 2 1 392.632 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001220639451 1032039283 /nfs/dbraw/zinc/03/92/83/1032039283.db2.gz OFDFMTDAXSIAOA-VWPQPMDRSA-N 2 1 392.632 3.698 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001229453701 1033488217 /nfs/dbraw/zinc/48/82/17/1033488217.db2.gz GGAPEMJBHGEPBU-TUFLPTIASA-N 2 1 388.600 3.800 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001229453701 1033488226 /nfs/dbraw/zinc/48/82/26/1033488226.db2.gz GGAPEMJBHGEPBU-TUFLPTIASA-N 2 1 388.600 3.800 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001229453701 1033488235 /nfs/dbraw/zinc/48/82/35/1033488235.db2.gz GGAPEMJBHGEPBU-TUFLPTIASA-N 2 1 388.600 3.800 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2I)CC[C@H]1C[NH3+] ZINC001205638586 1033504821 /nfs/dbraw/zinc/50/48/21/1033504821.db2.gz PNCIMZHCLBBRGI-RYUDHWBXSA-N 2 1 392.712 3.751 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc1 ZINC001205912400 1033632767 /nfs/dbraw/zinc/63/27/67/1033632767.db2.gz ADZJSQCJDFDLIC-FXAWDEMLSA-N 2 1 382.504 3.611 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001157556796 1033658188 /nfs/dbraw/zinc/65/81/88/1033658188.db2.gz GLJNYYHHSQRBJO-QFIPXVFZSA-N 2 1 389.559 3.905 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001157556796 1033658194 /nfs/dbraw/zinc/65/81/94/1033658194.db2.gz GLJNYYHHSQRBJO-QFIPXVFZSA-N 2 1 389.559 3.905 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@H]([NH3+])[C@H]3C)n2)CCC4)CC1 ZINC001157745370 1033750606 /nfs/dbraw/zinc/75/06/06/1033750606.db2.gz NOMBJAWIEFYXDN-WBVHZDCISA-N 2 1 399.608 3.728 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@@H]([NH3+])[C@@H]4C)c23)C1 ZINC001157746500 1033751105 /nfs/dbraw/zinc/75/11/05/1033751105.db2.gz QSPQHPFLGZHJQK-HLLBOEOZSA-N 2 1 399.608 3.728 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)ccc1-2 ZINC001206197796 1033761541 /nfs/dbraw/zinc/76/15/41/1033761541.db2.gz JKECBWCTKRLYLY-PMACEKPBSA-N 2 1 376.472 3.735 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)cccc2I)CC1 ZINC001206325151 1033797708 /nfs/dbraw/zinc/79/77/08/1033797708.db2.gz GAKONOLGKOWRDX-HNNXBMFYSA-N 2 1 392.712 3.896 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(I)c(F)c2)CC1 ZINC001206326916 1033798624 /nfs/dbraw/zinc/79/86/24/1033798624.db2.gz QODIYGUENMKDIY-HNNXBMFYSA-N 2 1 394.247 3.520 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(I)c(F)c2)CC1 ZINC001206326916 1033798636 /nfs/dbraw/zinc/79/86/36/1033798636.db2.gz QODIYGUENMKDIY-HNNXBMFYSA-N 2 1 394.247 3.520 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001229931907 1033798785 /nfs/dbraw/zinc/79/87/85/1033798785.db2.gz XFWYHLDVFUWMHK-ILZDJORESA-N 2 1 394.991 3.547 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001229931907 1033798793 /nfs/dbraw/zinc/79/87/93/1033798793.db2.gz XFWYHLDVFUWMHK-ILZDJORESA-N 2 1 394.991 3.547 20 0 GHADMP CC(C)(C)CN(c1ncnc2c1CC[N@H+](Cc1ccccc1)C2)C1CC[NH2+]CC1 ZINC001157884417 1033811822 /nfs/dbraw/zinc/81/18/22/1033811822.db2.gz VSKCFVMBCDPHIQ-UHFFFAOYSA-N 2 1 393.579 3.639 20 0 GHADMP CC(C)(C)CN(c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2)C1CC[NH2+]CC1 ZINC001157884417 1033811836 /nfs/dbraw/zinc/81/18/36/1033811836.db2.gz VSKCFVMBCDPHIQ-UHFFFAOYSA-N 2 1 393.579 3.639 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)s2)cc1OC ZINC001206563463 1033908461 /nfs/dbraw/zinc/90/84/61/1033908461.db2.gz DDBHJXLSMSVEGM-HXUWFJFHSA-N 2 1 375.538 3.778 20 0 GHADMP Cn1ccc2c1nc[nH+]c2N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001158089116 1033909786 /nfs/dbraw/zinc/90/97/86/1033909786.db2.gz XFAXSINGGQDYDZ-UHFFFAOYSA-N 2 1 389.425 3.746 20 0 GHADMP CSc1ncc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001206580994 1033914045 /nfs/dbraw/zinc/91/40/45/1033914045.db2.gz HBNURPJPPFXWPB-GOSISDBHSA-N 2 1 377.602 3.906 20 0 GHADMP CSc1ncc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001206580994 1033914047 /nfs/dbraw/zinc/91/40/47/1033914047.db2.gz HBNURPJPPFXWPB-GOSISDBHSA-N 2 1 377.602 3.906 20 0 GHADMP CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc(Br)c1O ZINC001206590465 1033918216 /nfs/dbraw/zinc/91/82/16/1033918216.db2.gz MOPLGWIGHYAZOS-OAHLLOKOSA-N 2 1 385.346 3.906 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)c1 ZINC001230199864 1033942175 /nfs/dbraw/zinc/94/21/75/1033942175.db2.gz DXQKYTTYWCBZIX-GCJKJVERSA-N 2 1 386.584 3.591 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC001230199864 1033942179 /nfs/dbraw/zinc/94/21/79/1033942179.db2.gz DXQKYTTYWCBZIX-GCJKJVERSA-N 2 1 386.584 3.591 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC001230199864 1033942182 /nfs/dbraw/zinc/94/21/82/1033942182.db2.gz DXQKYTTYWCBZIX-GCJKJVERSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)C[C@H](C)[NH2+]1 ZINC001158184751 1033955649 /nfs/dbraw/zinc/95/56/49/1033955649.db2.gz IDNHXKCJOBHBJI-HRCADAONSA-N 2 1 399.608 3.599 20 0 GHADMP COC(=O)N(C)CC[N@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001206715746 1033955816 /nfs/dbraw/zinc/95/58/16/1033955816.db2.gz WTIYJLMZZZJXMT-JOCHJYFZSA-N 2 1 375.557 3.555 20 0 GHADMP COC(=O)N(C)CC[N@@H+](C)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001206715746 1033955821 /nfs/dbraw/zinc/95/58/21/1033955821.db2.gz WTIYJLMZZZJXMT-JOCHJYFZSA-N 2 1 375.557 3.555 20 0 GHADMP COC(=O)N(C)CC[NH+](C)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001206715746 1033955826 /nfs/dbraw/zinc/95/58/26/1033955826.db2.gz WTIYJLMZZZJXMT-JOCHJYFZSA-N 2 1 375.557 3.555 20 0 GHADMP COC(=O)N(C)CC[NH+](C)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001206715746 1033955830 /nfs/dbraw/zinc/95/58/30/1033955830.db2.gz WTIYJLMZZZJXMT-JOCHJYFZSA-N 2 1 375.557 3.555 20 0 GHADMP c1cc(S[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC001206717464 1033957080 /nfs/dbraw/zinc/95/70/80/1033957080.db2.gz UVCSLPWETVAKKE-QFIPXVFZSA-N 2 1 383.561 3.671 20 0 GHADMP c1cc(S[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC001206717464 1033957085 /nfs/dbraw/zinc/95/70/85/1033957085.db2.gz UVCSLPWETVAKKE-QFIPXVFZSA-N 2 1 383.561 3.671 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(Cl)ncc2Br)CC1 ZINC001206750048 1033968089 /nfs/dbraw/zinc/96/80/89/1033968089.db2.gz SPRHXKQTLVOMAH-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)c1 ZINC001230386062 1034026121 /nfs/dbraw/zinc/02/61/21/1034026121.db2.gz XKHXNXSIAOGZBZ-OAQYLSRUSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC001230386062 1034026135 /nfs/dbraw/zinc/02/61/35/1034026135.db2.gz XKHXNXSIAOGZBZ-OAQYLSRUSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC001230386062 1034026149 /nfs/dbraw/zinc/02/61/49/1034026149.db2.gz XKHXNXSIAOGZBZ-OAQYLSRUSA-N 2 1 388.600 3.981 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ncc(F)cc1F)CC2 ZINC001207096382 1034090189 /nfs/dbraw/zinc/09/01/89/1034090189.db2.gz OBCKOUVFRARJPN-IBGZPJMESA-N 2 1 387.474 3.615 20 0 GHADMP Clc1ccc([C@@H]2C[C@@H]2C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001207185410 1034154988 /nfs/dbraw/zinc/15/49/88/1034154988.db2.gz VTBBKTATAUDXKN-NQIIRXRSSA-N 2 1 384.955 3.794 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(NCC[C@H]4CCC[NH2+]4)c23)C1 ZINC001158627235 1034208307 /nfs/dbraw/zinc/20/83/07/1034208307.db2.gz PIBXUAVYFLGMRX-JKSUJKDBSA-N 2 1 399.608 3.966 20 0 GHADMP COc1ccc([C@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)C2(O)CCCCC2)cc1 ZINC001207289133 1034239120 /nfs/dbraw/zinc/23/91/20/1034239120.db2.gz ZRNZYFRAKDPXEY-NRFANRHFSA-N 2 1 376.585 3.994 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001207289392 1034240883 /nfs/dbraw/zinc/24/08/83/1034240883.db2.gz LTRLATNCKDKJOI-VXKWHMMOSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC1CCC(F)(F)CC1)CC2 ZINC001207345321 1034290136 /nfs/dbraw/zinc/29/01/36/1034290136.db2.gz DRFNDDIBROHDRK-HXUWFJFHSA-N 2 1 393.522 3.962 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccc2)CC2CC[NH2+]CC2)CC1 ZINC001207441778 1034370412 /nfs/dbraw/zinc/37/04/12/1034370412.db2.gz MFLUZMPYNHCJKD-UHFFFAOYSA-N 2 1 387.568 3.888 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1-c1ccccc1 ZINC001207442824 1034371027 /nfs/dbraw/zinc/37/10/27/1034371027.db2.gz HKSWUSWVRFPRPB-GOSISDBHSA-N 2 1 384.549 3.557 20 0 GHADMP COc1ccccc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001207455639 1034375160 /nfs/dbraw/zinc/37/51/60/1034375160.db2.gz DTSDFWOOBWWDQA-MDNUFGMLSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001207455639 1034375175 /nfs/dbraw/zinc/37/51/75/1034375175.db2.gz DTSDFWOOBWWDQA-MDNUFGMLSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001207455639 1034375186 /nfs/dbraw/zinc/37/51/86/1034375186.db2.gz DTSDFWOOBWWDQA-MDNUFGMLSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001207455639 1034375201 /nfs/dbraw/zinc/37/52/01/1034375201.db2.gz DTSDFWOOBWWDQA-MDNUFGMLSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC001207475927 1034386505 /nfs/dbraw/zinc/38/65/05/1034386505.db2.gz PVSFYWOTPHIIKJ-UHFFFAOYSA-N 2 1 380.532 3.605 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CCc1cccc(C)c1)CC2 ZINC001207533569 1034437322 /nfs/dbraw/zinc/43/73/22/1034437322.db2.gz APMHXLSIAOYMSD-OAQYLSRUSA-N 2 1 399.604 3.997 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCc1cccc(C)c1)CC2 ZINC001207533569 1034437326 /nfs/dbraw/zinc/43/73/26/1034437326.db2.gz APMHXLSIAOYMSD-OAQYLSRUSA-N 2 1 399.604 3.997 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001207648709 1034509933 /nfs/dbraw/zinc/50/99/33/1034509933.db2.gz HVSRJNISQNNRQG-FQEVSTJZSA-N 2 1 390.616 3.818 20 0 GHADMP CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H](C)C[NH+](C)C)cc54)O[C@H](C[N@H+]3C1)C2 ZINC001231319559 1034515317 /nfs/dbraw/zinc/51/53/17/1034515317.db2.gz ZFMRQSOQGFXYFS-ZNDOOUMUSA-N 2 1 395.547 3.878 20 0 GHADMP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001159392281 1034577128 /nfs/dbraw/zinc/57/71/28/1034577128.db2.gz XUNNXXYTMVUAAH-IHPCNDPISA-N 2 1 380.536 3.888 20 0 GHADMP CC(C)c1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)cc1 ZINC001207939755 1034669242 /nfs/dbraw/zinc/66/92/42/1034669242.db2.gz JVWUFOYYQRXYAE-UQAQOTMJSA-N 2 1 395.595 3.675 20 0 GHADMP CC(C)c1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)cc1 ZINC001207939755 1034669251 /nfs/dbraw/zinc/66/92/51/1034669251.db2.gz JVWUFOYYQRXYAE-UQAQOTMJSA-N 2 1 395.595 3.675 20 0 GHADMP CC(C)c1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)cc1 ZINC001207939755 1034669257 /nfs/dbraw/zinc/66/92/57/1034669257.db2.gz JVWUFOYYQRXYAE-UQAQOTMJSA-N 2 1 395.595 3.675 20 0 GHADMP CC(C)c1ccc(C[C@H](C)C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)cc1 ZINC001207939755 1034669267 /nfs/dbraw/zinc/66/92/67/1034669267.db2.gz JVWUFOYYQRXYAE-UQAQOTMJSA-N 2 1 395.595 3.675 20 0 GHADMP Cc1ccc(CCC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)o1 ZINC001207946574 1034674814 /nfs/dbraw/zinc/67/48/14/1034674814.db2.gz ISUVMVDITDBYQX-GIWBLDEGSA-N 2 1 382.552 3.592 20 0 GHADMP Cc1ccc(CCC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)o1 ZINC001207946574 1034674821 /nfs/dbraw/zinc/67/48/21/1034674821.db2.gz ISUVMVDITDBYQX-GIWBLDEGSA-N 2 1 382.552 3.592 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)o1 ZINC001207946574 1034674824 /nfs/dbraw/zinc/67/48/24/1034674824.db2.gz ISUVMVDITDBYQX-GIWBLDEGSA-N 2 1 382.552 3.592 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)o1 ZINC001207946574 1034674830 /nfs/dbraw/zinc/67/48/30/1034674830.db2.gz ISUVMVDITDBYQX-GIWBLDEGSA-N 2 1 382.552 3.592 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC001208158078 1034763560 /nfs/dbraw/zinc/76/35/60/1034763560.db2.gz GBDCAVUZVUBXNE-OAQYLSRUSA-N 2 1 395.551 3.518 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2[nH]nc3cc(Br)ccc32)CC1 ZINC001231612636 1034768423 /nfs/dbraw/zinc/76/84/23/1034768423.db2.gz FNQZWLFKGYSNHS-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](CC4(C[NH+](C)C)CCCC4)C[C@H]3O2)n1 ZINC001208185489 1034783256 /nfs/dbraw/zinc/78/32/56/1034783256.db2.gz OJOJNNVBUKDCRS-SESVDKBCSA-N 2 1 386.584 3.874 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC001461921609 1069886609 /nfs/dbraw/zinc/88/66/09/1069886609.db2.gz UOCNYOMKFLOOKQ-MRXNPFEDSA-N 2 1 388.383 3.992 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(Cl)cc(Cl)cc2N(C)C)C1 ZINC001461921609 1069886627 /nfs/dbraw/zinc/88/66/27/1069886627.db2.gz UOCNYOMKFLOOKQ-MRXNPFEDSA-N 2 1 388.383 3.992 20 0 GHADMP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001160134958 1034876818 /nfs/dbraw/zinc/87/68/18/1034876818.db2.gz MHPPBNDTBLYINJ-UHFFFAOYSA-N 2 1 385.483 3.532 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001231840443 1034936047 /nfs/dbraw/zinc/93/60/47/1034936047.db2.gz ZSVDGUGISVFTFW-UHFFFAOYSA-N 2 1 376.545 3.981 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[C@H]3[C@H]2CC[NH+]3Cc2cccnc2)cc1 ZINC001208583896 1034942101 /nfs/dbraw/zinc/94/21/01/1034942101.db2.gz COSBCOGAJCNZIX-DSNGMDLFSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001208583896 1034942104 /nfs/dbraw/zinc/94/21/04/1034942104.db2.gz COSBCOGAJCNZIX-DSNGMDLFSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001208583896 1034942106 /nfs/dbraw/zinc/94/21/06/1034942106.db2.gz COSBCOGAJCNZIX-DSNGMDLFSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@H]2CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001208587934 1034944912 /nfs/dbraw/zinc/94/49/12/1034944912.db2.gz BJRDBLXHRPSPBM-DEOSSOPVSA-N 2 1 393.575 3.738 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001208587934 1034944919 /nfs/dbraw/zinc/94/49/19/1034944919.db2.gz BJRDBLXHRPSPBM-DEOSSOPVSA-N 2 1 393.575 3.738 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208588627 1034945128 /nfs/dbraw/zinc/94/51/28/1034945128.db2.gz JWBRQCPJRDRSKL-BJKOFHAPSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588627 1034945132 /nfs/dbraw/zinc/94/51/32/1034945132.db2.gz JWBRQCPJRDRSKL-BJKOFHAPSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588627 1034945134 /nfs/dbraw/zinc/94/51/34/1034945134.db2.gz JWBRQCPJRDRSKL-BJKOFHAPSA-N 2 1 385.596 3.616 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208609245 1034953175 /nfs/dbraw/zinc/95/31/75/1034953175.db2.gz ZPQHRZWBCZKVFO-ZCNNSNEGSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208609245 1034953179 /nfs/dbraw/zinc/95/31/79/1034953179.db2.gz ZPQHRZWBCZKVFO-ZCNNSNEGSA-N 2 1 379.589 3.687 20 0 GHADMP CC(C)c1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001231875064 1034960407 /nfs/dbraw/zinc/96/04/07/1034960407.db2.gz CXRRZKZLXHIPML-GPXNEJASSA-N 2 1 393.579 3.777 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001231875064 1034960408 /nfs/dbraw/zinc/96/04/08/1034960408.db2.gz CXRRZKZLXHIPML-GPXNEJASSA-N 2 1 393.579 3.777 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001231875064 1034960410 /nfs/dbraw/zinc/96/04/10/1034960410.db2.gz CXRRZKZLXHIPML-GPXNEJASSA-N 2 1 393.579 3.777 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001231957306 1035006288 /nfs/dbraw/zinc/00/62/88/1035006288.db2.gz CRRPPRFWSZKHIJ-IBGZPJMESA-N 2 1 385.939 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001231957306 1035006296 /nfs/dbraw/zinc/00/62/96/1035006296.db2.gz CRRPPRFWSZKHIJ-IBGZPJMESA-N 2 1 385.939 3.991 20 0 GHADMP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001160595377 1035012974 /nfs/dbraw/zinc/01/29/74/1035012974.db2.gz ANSWTHUSZYFIMH-OAQYLSRUSA-N 2 1 397.607 3.798 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC3(c4ccccc4)CCCC3)CC2)C1 ZINC001208776983 1035016281 /nfs/dbraw/zinc/01/62/81/1035016281.db2.gz AFOVQFBDPKPLQH-HXUWFJFHSA-N 2 1 384.564 3.848 20 0 GHADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001208781105 1035017360 /nfs/dbraw/zinc/01/73/60/1035017360.db2.gz DHRZPIXVIADHTQ-IBGZPJMESA-N 2 1 387.568 3.737 20 0 GHADMP Clc1nccc2ccc(C[N@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc21 ZINC001231981144 1035021319 /nfs/dbraw/zinc/02/13/19/1035021319.db2.gz XKHPUPJTSQQFKY-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP Clc1nccc2ccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc21 ZINC001231981144 1035021330 /nfs/dbraw/zinc/02/13/30/1035021330.db2.gz XKHPUPJTSQQFKY-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP [NH3+]C1(C(=O)N(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC001160684403 1035035206 /nfs/dbraw/zinc/03/52/06/1035035206.db2.gz UERHPUQLPAWHRY-JOCHJYFZSA-N 2 1 377.532 3.561 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H](C)C(F)(F)F)CC3)C2)c1 ZINC001208886279 1035075668 /nfs/dbraw/zinc/07/56/68/1035075668.db2.gz BAHRFWKSMDKUEV-MRXNPFEDSA-N 2 1 386.458 3.560 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H](C)C(F)(F)F)CC3)C2)c1 ZINC001208886279 1035075674 /nfs/dbraw/zinc/07/56/74/1035075674.db2.gz BAHRFWKSMDKUEV-MRXNPFEDSA-N 2 1 386.458 3.560 20 0 GHADMP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)cc1 ZINC001232081065 1035082773 /nfs/dbraw/zinc/08/27/73/1035082773.db2.gz XMMKIZHMVSPWBB-HJNYFJLDSA-N 2 1 381.568 3.561 20 0 GHADMP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)cc1 ZINC001232081065 1035082783 /nfs/dbraw/zinc/08/27/83/1035082783.db2.gz XMMKIZHMVSPWBB-HJNYFJLDSA-N 2 1 381.568 3.561 20 0 GHADMP CCC(C)(C)c1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)cc1 ZINC001232081065 1035082790 /nfs/dbraw/zinc/08/27/90/1035082790.db2.gz XMMKIZHMVSPWBB-HJNYFJLDSA-N 2 1 381.568 3.561 20 0 GHADMP CCC(C)(C)c1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)cc1 ZINC001232081065 1035082797 /nfs/dbraw/zinc/08/27/97/1035082797.db2.gz XMMKIZHMVSPWBB-HJNYFJLDSA-N 2 1 381.568 3.561 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208935288 1035101962 /nfs/dbraw/zinc/10/19/62/1035101962.db2.gz KCDUYTMLDAZSIU-OAQYLSRUSA-N 2 1 387.568 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208935288 1035101967 /nfs/dbraw/zinc/10/19/67/1035101967.db2.gz KCDUYTMLDAZSIU-OAQYLSRUSA-N 2 1 387.568 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208935288 1035101971 /nfs/dbraw/zinc/10/19/71/1035101971.db2.gz KCDUYTMLDAZSIU-OAQYLSRUSA-N 2 1 387.568 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208935288 1035101974 /nfs/dbraw/zinc/10/19/74/1035101974.db2.gz KCDUYTMLDAZSIU-OAQYLSRUSA-N 2 1 387.568 3.841 20 0 GHADMP O=C(NC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC001208936208 1035103399 /nfs/dbraw/zinc/10/33/99/1035103399.db2.gz MPKLMDOKHQRYEZ-NRFANRHFSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208937232 1035105426 /nfs/dbraw/zinc/10/54/26/1035105426.db2.gz RXNJVBOBFSQTLE-QHCPKHFHSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccnc1N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937232 1035105429 /nfs/dbraw/zinc/10/54/29/1035105429.db2.gz RXNJVBOBFSQTLE-QHCPKHFHSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccnc1N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937232 1035105430 /nfs/dbraw/zinc/10/54/30/1035105430.db2.gz RXNJVBOBFSQTLE-QHCPKHFHSA-N 2 1 378.564 3.814 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)CCCCCCC[NH3+])cc1 ZINC001160955580 1035105871 /nfs/dbraw/zinc/10/58/71/1035105871.db2.gz CEYYLJPDLCAGPF-OAQYLSRUSA-N 2 1 389.584 3.807 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942730 1035112831 /nfs/dbraw/zinc/11/28/31/1035112831.db2.gz RIEVEDYBVJANEW-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942730 1035112835 /nfs/dbraw/zinc/11/28/35/1035112835.db2.gz RIEVEDYBVJANEW-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942730 1035112838 /nfs/dbraw/zinc/11/28/38/1035112838.db2.gz RIEVEDYBVJANEW-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208942990 1035113558 /nfs/dbraw/zinc/11/35/58/1035113558.db2.gz KQPNEDKRZHYSIH-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208942990 1035113562 /nfs/dbraw/zinc/11/35/62/1035113562.db2.gz KQPNEDKRZHYSIH-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208942990 1035113573 /nfs/dbraw/zinc/11/35/73/1035113573.db2.gz KQPNEDKRZHYSIH-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208942990 1035113578 /nfs/dbraw/zinc/11/35/78/1035113578.db2.gz KQPNEDKRZHYSIH-FQEVSTJZSA-N 2 1 375.557 3.745 20 0 GHADMP CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208942991 1035113996 /nfs/dbraw/zinc/11/39/96/1035113996.db2.gz KQPNEDKRZHYSIH-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208942991 1035113999 /nfs/dbraw/zinc/11/39/99/1035113999.db2.gz KQPNEDKRZHYSIH-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208942991 1035114003 /nfs/dbraw/zinc/11/40/03/1035114003.db2.gz KQPNEDKRZHYSIH-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208942991 1035114009 /nfs/dbraw/zinc/11/40/09/1035114009.db2.gz KQPNEDKRZHYSIH-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP CCOC(=O)CC[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208943288 1035114080 /nfs/dbraw/zinc/11/40/80/1035114080.db2.gz UDLFEYOTNPBFTR-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP CCOC(=O)CC[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208943288 1035114081 /nfs/dbraw/zinc/11/40/81/1035114081.db2.gz UDLFEYOTNPBFTR-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP CCOC(=O)CC[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208943288 1035114082 /nfs/dbraw/zinc/11/40/82/1035114082.db2.gz UDLFEYOTNPBFTR-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947100 1035116530 /nfs/dbraw/zinc/11/65/30/1035116530.db2.gz YXIWEICZRNQFEP-GMAHTHKFSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947100 1035116537 /nfs/dbraw/zinc/11/65/37/1035116537.db2.gz YXIWEICZRNQFEP-GMAHTHKFSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947100 1035116545 /nfs/dbraw/zinc/11/65/45/1035116545.db2.gz YXIWEICZRNQFEP-GMAHTHKFSA-N 2 1 389.543 3.629 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145138 1035123232 /nfs/dbraw/zinc/12/32/32/1035123232.db2.gz WGQPLUBOUBJPOC-INIZCTEOSA-N 2 1 379.520 3.719 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145138 1035123236 /nfs/dbraw/zinc/12/32/36/1035123236.db2.gz WGQPLUBOUBJPOC-INIZCTEOSA-N 2 1 379.520 3.719 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1)C(=O)OC(C)(C)C ZINC001232151868 1035130832 /nfs/dbraw/zinc/13/08/32/1035130832.db2.gz QQMYSGKAPRSEMG-LJQANCHMSA-N 2 1 379.520 3.719 20 0 GHADMP CC1(C)[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001208959605 1035132124 /nfs/dbraw/zinc/13/21/24/1035132124.db2.gz SRCYYVMGPHQKRW-CPJSRVTESA-N 2 1 390.527 3.850 20 0 GHADMP CC1(C)[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001208959605 1035132126 /nfs/dbraw/zinc/13/21/26/1035132126.db2.gz SRCYYVMGPHQKRW-CPJSRVTESA-N 2 1 390.527 3.850 20 0 GHADMP CC1(C)[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001208959605 1035132134 /nfs/dbraw/zinc/13/21/34/1035132134.db2.gz SRCYYVMGPHQKRW-CPJSRVTESA-N 2 1 390.527 3.850 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC(Nc2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001161152810 1035162335 /nfs/dbraw/zinc/16/23/35/1035162335.db2.gz IGYPSBWVHYLUSJ-UHFFFAOYSA-N 2 1 398.526 3.902 20 0 GHADMP CN(CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001209139378 1035190520 /nfs/dbraw/zinc/19/05/20/1035190520.db2.gz XKMHRODPWSKQER-QHCPKHFHSA-N 2 1 387.568 3.841 20 0 GHADMP CN(CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001209139378 1035190525 /nfs/dbraw/zinc/19/05/25/1035190525.db2.gz XKMHRODPWSKQER-QHCPKHFHSA-N 2 1 387.568 3.841 20 0 GHADMP CN(CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001209139378 1035190531 /nfs/dbraw/zinc/19/05/31/1035190531.db2.gz XKMHRODPWSKQER-QHCPKHFHSA-N 2 1 387.568 3.841 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](CCCCOCc2ccccc2)CC3)cn1 ZINC001209253727 1035222832 /nfs/dbraw/zinc/22/28/32/1035222832.db2.gz OBUXPMSRFFNRPR-UHFFFAOYSA-N 2 1 396.579 3.848 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3ncc4c(n3)C[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161461250 1035235922 /nfs/dbraw/zinc/23/59/22/1035235922.db2.gz JOQXUEWQDCUSQE-YADHBBJMSA-N 2 1 385.515 3.550 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209317887 1035239570 /nfs/dbraw/zinc/23/95/70/1035239570.db2.gz HLUQYNQYJYITBU-BDTNDASRSA-N 2 1 399.579 3.622 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209317887 1035239575 /nfs/dbraw/zinc/23/95/75/1035239575.db2.gz HLUQYNQYJYITBU-BDTNDASRSA-N 2 1 399.579 3.622 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209317887 1035239579 /nfs/dbraw/zinc/23/95/79/1035239579.db2.gz HLUQYNQYJYITBU-BDTNDASRSA-N 2 1 399.579 3.622 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209317887 1035239582 /nfs/dbraw/zinc/23/95/82/1035239582.db2.gz HLUQYNQYJYITBU-BDTNDASRSA-N 2 1 399.579 3.622 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209317887 1035239585 /nfs/dbraw/zinc/23/95/85/1035239585.db2.gz HLUQYNQYJYITBU-BDTNDASRSA-N 2 1 399.579 3.622 20 0 GHADMP CCOC(=O)CCCCCC[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209347846 1035247557 /nfs/dbraw/zinc/24/75/57/1035247557.db2.gz DGBSUMSNZORKLD-UHFFFAOYSA-N 2 1 387.568 3.883 20 0 GHADMP CCOC(=O)CCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001209350601 1035248673 /nfs/dbraw/zinc/24/86/73/1035248673.db2.gz YFGKDLMHBVODPL-SFHVURJKSA-N 2 1 378.561 3.614 20 0 GHADMP CCOC(=O)CCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001209350601 1035248679 /nfs/dbraw/zinc/24/86/79/1035248679.db2.gz YFGKDLMHBVODPL-SFHVURJKSA-N 2 1 378.561 3.614 20 0 GHADMP CCOC(=O)CCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001209350601 1035248683 /nfs/dbraw/zinc/24/86/83/1035248683.db2.gz YFGKDLMHBVODPL-SFHVURJKSA-N 2 1 378.561 3.614 20 0 GHADMP CCOC(=O)CCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001209350601 1035248690 /nfs/dbraw/zinc/24/86/90/1035248690.db2.gz YFGKDLMHBVODPL-SFHVURJKSA-N 2 1 378.561 3.614 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209367658 1035256175 /nfs/dbraw/zinc/25/61/75/1035256175.db2.gz URLOIOXCTDGJSE-UHFFFAOYSA-N 2 1 387.568 3.814 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001209367658 1035256182 /nfs/dbraw/zinc/25/61/82/1035256182.db2.gz URLOIOXCTDGJSE-UHFFFAOYSA-N 2 1 387.568 3.814 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC001209450592 1035277089 /nfs/dbraw/zinc/27/70/89/1035277089.db2.gz NSFOKPOZYUPYFV-QHCPKHFHSA-N 2 1 387.543 3.516 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001209450592 1035277096 /nfs/dbraw/zinc/27/70/96/1035277096.db2.gz NSFOKPOZYUPYFV-QHCPKHFHSA-N 2 1 387.543 3.516 20 0 GHADMP CC[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459868 1035279634 /nfs/dbraw/zinc/27/96/34/1035279634.db2.gz APEPKRTYDAKOJI-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@@H](C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459868 1035279636 /nfs/dbraw/zinc/27/96/36/1035279636.db2.gz APEPKRTYDAKOJI-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@@H](C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459868 1035279641 /nfs/dbraw/zinc/27/96/41/1035279641.db2.gz APEPKRTYDAKOJI-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@@H](C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459868 1035279646 /nfs/dbraw/zinc/27/96/46/1035279646.db2.gz APEPKRTYDAKOJI-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP Cc1cccc2c(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)c[nH]c21 ZINC001209490675 1035290811 /nfs/dbraw/zinc/29/08/11/1035290811.db2.gz OOYADVNFLVPFDF-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cccc2c(C[NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c[nH]c21 ZINC001209490675 1035290812 /nfs/dbraw/zinc/29/08/12/1035290812.db2.gz OOYADVNFLVPFDF-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cccc2c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c[nH]c21 ZINC001209490675 1035290813 /nfs/dbraw/zinc/29/08/13/1035290813.db2.gz OOYADVNFLVPFDF-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508085 1035297036 /nfs/dbraw/zinc/29/70/36/1035297036.db2.gz ZIRHSWKLNHJHTL-FGZHOGPDSA-N 2 1 377.532 3.751 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508085 1035297040 /nfs/dbraw/zinc/29/70/40/1035297040.db2.gz ZIRHSWKLNHJHTL-FGZHOGPDSA-N 2 1 377.532 3.751 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508085 1035297043 /nfs/dbraw/zinc/29/70/43/1035297043.db2.gz ZIRHSWKLNHJHTL-FGZHOGPDSA-N 2 1 377.532 3.751 20 0 GHADMP Cn1nc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc21 ZINC001209581033 1035316853 /nfs/dbraw/zinc/31/68/53/1035316853.db2.gz AUBLXSNCVLZRRJ-JMUQELJHSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[N@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc21 ZINC001209581033 1035316860 /nfs/dbraw/zinc/31/68/60/1035316860.db2.gz AUBLXSNCVLZRRJ-JMUQELJHSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[NH+]2C[C@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc21 ZINC001209581033 1035316866 /nfs/dbraw/zinc/31/68/66/1035316866.db2.gz AUBLXSNCVLZRRJ-JMUQELJHSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[NH+]2C[C@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc21 ZINC001209581033 1035316870 /nfs/dbraw/zinc/31/68/70/1035316870.db2.gz AUBLXSNCVLZRRJ-JMUQELJHSA-N 2 1 389.547 3.701 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209647863 1035342494 /nfs/dbraw/zinc/34/24/94/1035342494.db2.gz NVUMNWZLNSRVHM-ILWGZMRPSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209647863 1035342497 /nfs/dbraw/zinc/34/24/97/1035342497.db2.gz NVUMNWZLNSRVHM-ILWGZMRPSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209647863 1035342501 /nfs/dbraw/zinc/34/25/01/1035342501.db2.gz NVUMNWZLNSRVHM-ILWGZMRPSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209647863 1035342508 /nfs/dbraw/zinc/34/25/08/1035342508.db2.gz NVUMNWZLNSRVHM-ILWGZMRPSA-N 2 1 389.547 3.770 20 0 GHADMP C[N@@H+]1CC=C(c2ncc3c(c2F)COC32CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001241311578 1035557835 /nfs/dbraw/zinc/55/78/35/1035557835.db2.gz XKSIHWMWOSYCOX-UHFFFAOYSA-N 2 1 393.506 3.961 20 0 GHADMP [NH3+]C1CCN(C(=O)c2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001241506411 1035598705 /nfs/dbraw/zinc/59/87/05/1035598705.db2.gz FJABAGCUBLPSRO-UHFFFAOYSA-N 2 1 375.516 3.539 20 0 GHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(CCCCCCC[NH3+])n2)c1 ZINC001248190176 1035618324 /nfs/dbraw/zinc/61/83/24/1035618324.db2.gz IQIAEYWQWVVWKH-UHFFFAOYSA-N 2 1 381.480 3.576 20 0 GHADMP CC[NH+](CC)Cc1ccc(-c2cc(C[NH+]3CCN(C)CC3)ccc2OC)cc1 ZINC001241586273 1035630545 /nfs/dbraw/zinc/63/05/45/1035630545.db2.gz SXVQHBGHHHTQSF-UHFFFAOYSA-N 2 1 381.564 3.951 20 0 GHADMP C[NH+]1CCC(c2cccc(-c3cccc(C(=O)N4CC[NH+](C)CC4)c3)c2)CC1 ZINC001241881394 1035741147 /nfs/dbraw/zinc/74/11/47/1035741147.db2.gz AUIRBPWPOFMRMJ-UHFFFAOYSA-N 2 1 377.532 3.550 20 0 GHADMP C[C@H]([NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462014682 1069946465 /nfs/dbraw/zinc/94/64/65/1069946465.db2.gz RCQSHBYTHFCPKN-LVZCYOEFSA-N 2 1 399.579 3.932 20 0 GHADMP c1nc2cc(-c3ccccc3C[NH+]3CCOCC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001241989166 1035779798 /nfs/dbraw/zinc/77/97/98/1035779798.db2.gz JLVWNOLSNQVADG-NRFANRHFSA-N 2 1 390.531 3.850 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001248485106 1035909994 /nfs/dbraw/zinc/90/99/94/1035909994.db2.gz GLKCKHKDMOTVHO-UHFFFAOYSA-N 2 1 388.600 3.696 20 0 GHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(-c3cccc(C[NH2+]C)c3)c2c1C ZINC001242995949 1036007472 /nfs/dbraw/zinc/00/74/72/1036007472.db2.gz BNNONCCKWMAWHX-UHFFFAOYSA-N 2 1 398.532 3.624 20 0 GHADMP C[C@@H](N[C@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462056999 1069970317 /nfs/dbraw/zinc/97/03/17/1069970317.db2.gz AZGQXWAEKGEABD-PLMTUMEDSA-N 2 1 385.939 3.757 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2Cl)no1 ZINC001248896260 1036226692 /nfs/dbraw/zinc/22/66/92/1036226692.db2.gz NNIAVSJUDBNNHX-ZDUSSCGKSA-N 2 1 385.693 3.542 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2OC)nc1 ZINC001244286338 1036462235 /nfs/dbraw/zinc/46/22/35/1036462235.db2.gz NCDZVDLESOQLOE-QFIPXVFZSA-N 2 1 380.536 3.714 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC001245974636 1037099927 /nfs/dbraw/zinc/09/99/27/1037099927.db2.gz MOVHSMMNTKCWAS-FCHUYYIVSA-N 2 1 382.454 3.575 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246020502 1037138475 /nfs/dbraw/zinc/13/84/75/1037138475.db2.gz CFZWMCNAEKNUEN-HOYKHHGWSA-N 2 1 393.531 3.526 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246038031 1037154302 /nfs/dbraw/zinc/15/43/02/1037154302.db2.gz UHMCIFCDPXNZLC-ONTLXTELSA-N 2 1 388.596 3.659 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246038029 1037154669 /nfs/dbraw/zinc/15/46/69/1037154669.db2.gz UHMCIFCDPXNZLC-MZURWIMNSA-N 2 1 388.596 3.659 20 0 GHADMP O[C@]1(CN2CC[C@@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246062752 1037174718 /nfs/dbraw/zinc/17/47/18/1037174718.db2.gz GAPFPIZNLXBJQB-PMVMPFDFSA-N 2 1 397.950 3.560 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC001246065796 1037177341 /nfs/dbraw/zinc/17/73/41/1037177341.db2.gz JRHJWDRVMBEHBK-SDHOMARFSA-N 2 1 399.623 3.776 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001246065796 1037177358 /nfs/dbraw/zinc/17/73/58/1037177358.db2.gz JRHJWDRVMBEHBK-SDHOMARFSA-N 3 1 399.623 3.776 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001246065796 1037177376 /nfs/dbraw/zinc/17/73/76/1037177376.db2.gz JRHJWDRVMBEHBK-SDHOMARFSA-N 3 1 399.623 3.776 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](CC2CCCCC2)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001246065796 1037177393 /nfs/dbraw/zinc/17/73/93/1037177393.db2.gz JRHJWDRVMBEHBK-SDHOMARFSA-N 3 1 399.623 3.776 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](CC2CCCCC2)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001246065796 1037177426 /nfs/dbraw/zinc/17/74/26/1037177426.db2.gz JRHJWDRVMBEHBK-SDHOMARFSA-N 3 1 399.623 3.776 20 0 GHADMP Cc1cccc(C[N@@H+](C[C@@H](O)COc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246065694 1037178748 /nfs/dbraw/zinc/17/87/48/1037178748.db2.gz IQNHOXVKDAQSIK-YPAWHYETSA-N 2 1 386.511 3.646 20 0 GHADMP COc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069580 1037182876 /nfs/dbraw/zinc/18/28/76/1037182876.db2.gz YPINETMTFFRZOR-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP CC(C)C[N@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]C1 ZINC001246068200 1037183516 /nfs/dbraw/zinc/18/35/16/1037183516.db2.gz IDOSZIBNSIAFSI-MOPGFXCFSA-N 2 1 395.547 3.771 20 0 GHADMP CC(C)C[N@@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]C1 ZINC001246068200 1037183527 /nfs/dbraw/zinc/18/35/27/1037183527.db2.gz IDOSZIBNSIAFSI-MOPGFXCFSA-N 2 1 395.547 3.771 20 0 GHADMP Cc1ccccc1C[N@@H+](C[C@H](O)COc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246070324 1037185357 /nfs/dbraw/zinc/18/53/57/1037185357.db2.gz NGJBWLAEJRYFEG-FKBYEOEOSA-N 2 1 386.511 3.646 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CC[NH2+]2)cc1 ZINC001246133046 1037209344 /nfs/dbraw/zinc/20/93/44/1037209344.db2.gz PHAUZZADJSPEBR-QZNHQXDQSA-N 3 1 391.559 3.585 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC001246184465 1037226257 /nfs/dbraw/zinc/22/62/57/1037226257.db2.gz SEUUBHYPGODPNC-FCHUYYIVSA-N 3 1 385.596 3.568 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)CCN1Cc1ccccc1 ZINC001246184465 1037226274 /nfs/dbraw/zinc/22/62/74/1037226274.db2.gz SEUUBHYPGODPNC-FCHUYYIVSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246180813 1037226625 /nfs/dbraw/zinc/22/66/25/1037226625.db2.gz PYNFUEWULHISPX-MQFRRQCYSA-N 3 1 385.596 3.566 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)C[C@H](C)N1Cc1ccccc1 ZINC001246180813 1037226641 /nfs/dbraw/zinc/22/66/41/1037226641.db2.gz PYNFUEWULHISPX-MQFRRQCYSA-N 2 1 385.596 3.566 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](NC[C@@H]4CC[NH2+]4)C[C@@H]23)cc1 ZINC001246199110 1037235642 /nfs/dbraw/zinc/23/56/42/1037235642.db2.gz IPOGWAJDFGSCTI-ZFFYZDHPSA-N 2 1 375.560 3.703 20 0 GHADMP OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001246255050 1037257565 /nfs/dbraw/zinc/25/75/65/1037257565.db2.gz BJIQABUICQLUNR-ZCNNSNEGSA-N 2 1 378.438 3.692 20 0 GHADMP COC(=O)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCc2ccccc2)cc1 ZINC001246257139 1037257636 /nfs/dbraw/zinc/25/76/36/1037257636.db2.gz UEFKAGJXLCQMTK-MXHMCPQYSA-N 2 1 394.515 3.742 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246280823 1037273387 /nfs/dbraw/zinc/27/33/87/1037273387.db2.gz LKXRILBZDHVCDR-XQPJFTJZSA-N 2 1 384.605 3.856 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246342227 1037303288 /nfs/dbraw/zinc/30/32/88/1037303288.db2.gz QXUPKQIPPFTVNP-DFBGVHRSSA-N 2 1 379.264 3.900 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1 ZINC001246343660 1037306840 /nfs/dbraw/zinc/30/68/40/1037306840.db2.gz GNCGAEQQNYMHNB-UNMCSNQZSA-N 2 1 384.495 3.823 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246357020 1037315854 /nfs/dbraw/zinc/31/58/54/1037315854.db2.gz SEGIVPZWIFDJKV-NNWRFLSQSA-N 2 1 384.495 3.864 20 0 GHADMP COc1cccc(CC2(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246374639 1037333290 /nfs/dbraw/zinc/33/32/90/1037333290.db2.gz GGNUFRHUOXZRNP-OFNKIYASSA-N 2 1 393.575 3.613 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)C[NH2+]1 ZINC001246402482 1037359488 /nfs/dbraw/zinc/35/94/88/1037359488.db2.gz AVJJEEIGBVDTKO-QAPCUYQASA-N 2 1 381.358 3.519 20 0 GHADMP Fc1ccccc1C1([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC[NH2+]CC1 ZINC001246427181 1037383964 /nfs/dbraw/zinc/38/39/64/1037383964.db2.gz CNVGUSYXLPTIPH-CQSZACIVSA-N 2 1 378.413 3.969 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N[C@@H]4CC45C[NH2+]C5)C[C@@H]23)cc1 ZINC001246442564 1037404370 /nfs/dbraw/zinc/40/43/70/1037404370.db2.gz DAEFIGOOCNTNCZ-POMLREGLSA-N 2 1 387.571 3.703 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC[NH2+]1 ZINC001246468316 1037420149 /nfs/dbraw/zinc/42/01/49/1037420149.db2.gz WYYUMKSKGVSGEW-MSOLQXFVSA-N 2 1 381.499 3.936 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246484013 1037430060 /nfs/dbraw/zinc/43/00/60/1037430060.db2.gz VTIYKAGZVNYPHL-DZGCQCFKSA-N 2 1 375.301 3.995 20 0 GHADMP C[C@H]1CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CC[C@@H]1C[NH3+] ZINC001246557892 1037479844 /nfs/dbraw/zinc/47/98/44/1037479844.db2.gz LQZPHTYVYGBBCF-JKSUJKDBSA-N 2 1 380.374 3.725 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246618585 1037510679 /nfs/dbraw/zinc/51/06/79/1037510679.db2.gz HMKBNWDKJNCIEQ-YLJYHZDGSA-N 2 1 382.935 3.895 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246638306 1037523119 /nfs/dbraw/zinc/52/31/19/1037523119.db2.gz KOFRAKJKNPBJFJ-UHFFFAOYSA-N 2 1 390.955 3.769 20 0 GHADMP C[C@@H]1C[C@H](N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001246673422 1037540524 /nfs/dbraw/zinc/54/05/24/1037540524.db2.gz MLKKRVDLLSAMIK-HKTJVKLFSA-N 2 1 375.560 3.871 20 0 GHADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)ccc2c1 ZINC001246687126 1037548540 /nfs/dbraw/zinc/54/85/40/1037548540.db2.gz VIMDOQGMQYDLFN-BROLKAIQSA-N 2 1 380.532 3.622 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C2C[C@H](C)[NH2+][C@@H](C)C2)CC3)c1 ZINC001246712154 1037564492 /nfs/dbraw/zinc/56/44/92/1037564492.db2.gz FFZGVIJTNJILSD-PMACEKPBSA-N 3 1 385.596 3.902 20 0 GHADMP O=C1C[C@@]2(CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)CN1c1ccc(F)cc1 ZINC001246714338 1037567690 /nfs/dbraw/zinc/56/76/90/1037567690.db2.gz KTGXYOPZMHTFCT-ZUEZHPSSSA-N 2 1 385.527 3.567 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+](C2CCC4(CC[NH2+]C4)CC2)CC3)cc1 ZINC001246719297 1037570087 /nfs/dbraw/zinc/57/00/87/1037570087.db2.gz KXBIRSWCHRKWOZ-UHFFFAOYSA-N 2 1 380.511 3.606 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@@H+]([C@H]1CCCC[NH2+]C1)C[C@H]2c1ccccc1 ZINC001246723849 1037575018 /nfs/dbraw/zinc/57/50/18/1037575018.db2.gz WTINZIKMAHSHGL-IEIRFRATSA-N 2 1 395.572 3.713 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@H+]([C@H]1CCCC[NH2+]C1)C[C@H]2c1ccccc1 ZINC001246723849 1037575027 /nfs/dbraw/zinc/57/50/27/1037575027.db2.gz WTINZIKMAHSHGL-IEIRFRATSA-N 2 1 395.572 3.713 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C[C@H](CC)[NH2+]1 ZINC001246745116 1037585538 /nfs/dbraw/zinc/58/55/38/1037585538.db2.gz MERDKSDSMOXJSC-SXUUSABNSA-N 2 1 391.531 3.532 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCC4(C2)CC[NH2+]CC4)CC3)c1 ZINC001246744058 1037586459 /nfs/dbraw/zinc/58/64/59/1037586459.db2.gz YYFCMUPFIIAKTI-QFIPXVFZSA-N 3 1 397.607 3.905 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CC[NH2+]1 ZINC001246747759 1037588031 /nfs/dbraw/zinc/58/80/31/1037588031.db2.gz RLGQHYFDBXLTPI-YCSHWKNNSA-N 2 1 383.580 3.635 20 0 GHADMP c1nc(C[NH2+]C2CCCC2)c2n1CCC[N@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001246770567 1037613848 /nfs/dbraw/zinc/61/38/48/1037613848.db2.gz KWVUOCHTSWOZFU-IBGZPJMESA-N 2 1 382.577 3.838 20 0 GHADMP c1nc(C[NH2+]C2CCCC2)c2n1CCC[N@@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001246770567 1037613855 /nfs/dbraw/zinc/61/38/55/1037613855.db2.gz KWVUOCHTSWOZFU-IBGZPJMESA-N 2 1 382.577 3.838 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246783310 1037624058 /nfs/dbraw/zinc/62/40/58/1037624058.db2.gz SYTKREQRQKCVHX-YZUZCNPQSA-N 2 1 380.532 3.902 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246805616 1037640548 /nfs/dbraw/zinc/64/05/48/1037640548.db2.gz KLULTRZVEOXQBC-ZYQDXHPFSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246805616 1037640575 /nfs/dbraw/zinc/64/05/75/1037640575.db2.gz KLULTRZVEOXQBC-ZYQDXHPFSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246805616 1037640589 /nfs/dbraw/zinc/64/05/89/1037640589.db2.gz KLULTRZVEOXQBC-ZYQDXHPFSA-N 2 1 375.560 3.556 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246812479 1037642927 /nfs/dbraw/zinc/64/29/27/1037642927.db2.gz UQMILHDMSRFUGC-VWLOTQADSA-N 2 1 393.575 3.699 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[N@H+]1Cc1ccccc1 ZINC001246831543 1037662501 /nfs/dbraw/zinc/66/25/01/1037662501.db2.gz CVPNEBWXXCNRQP-OTUUDDROSA-N 2 1 381.539 3.852 20 0 GHADMP O=C1OC[C@@H]2[C@H]([N@@H+](Cc3ccccc3)[C@H]3CC[NH2+]C4(CCCCC4)C3)CCCN12 ZINC001246832852 1037662722 /nfs/dbraw/zinc/66/27/22/1037662722.db2.gz CHENFGMSHMRZEI-BHDDXSALSA-N 2 1 397.563 3.927 20 0 GHADMP CCCC[N@@H+]([C@@H](C)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246877511 1037690516 /nfs/dbraw/zinc/69/05/16/1037690516.db2.gz OVZDSARBVLRLSX-QFBILLFUSA-N 2 1 383.502 3.833 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C1)C2 ZINC001246876688 1037690819 /nfs/dbraw/zinc/69/08/19/1037690819.db2.gz HMFKELDYBMNLKF-JXALWOEJSA-N 2 1 382.548 3.504 20 0 GHADMP Brc1cccc2c1C[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246880005 1037693142 /nfs/dbraw/zinc/69/31/42/1037693142.db2.gz OAPBYBQDMXEAEE-KNKQGSTJSA-N 2 1 397.360 3.779 20 0 GHADMP CCOC(=O)c1cc2cc(N3CC[NH+]([C@H]4CC[NH2+][C@@H](C(C)C)C4)CC3)ccc2o1 ZINC001246882561 1037699930 /nfs/dbraw/zinc/69/99/30/1037699930.db2.gz JQRZNQWHIHMBMB-VQTJNVASSA-N 2 1 399.535 3.508 20 0 GHADMP CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246889612 1037706048 /nfs/dbraw/zinc/70/60/48/1037706048.db2.gz GAWHRCZVULSPTI-NJDAHSKKSA-N 2 1 376.541 3.550 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246889612 1037706062 /nfs/dbraw/zinc/70/60/62/1037706062.db2.gz GAWHRCZVULSPTI-NJDAHSKKSA-N 2 1 376.541 3.550 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001246907589 1037718435 /nfs/dbraw/zinc/71/84/35/1037718435.db2.gz FFUOTVRTYGQIPG-ZWKOTPCHSA-N 2 1 380.374 3.656 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920836 1037726261 /nfs/dbraw/zinc/72/62/61/1037726261.db2.gz STHBRRCFKKYVBD-YUMYIRISSA-N 2 1 382.479 3.507 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920836 1037726281 /nfs/dbraw/zinc/72/62/81/1037726281.db2.gz STHBRRCFKKYVBD-YUMYIRISSA-N 2 1 382.479 3.507 20 0 GHADMP CCOC(=O)CC1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246935187 1037736375 /nfs/dbraw/zinc/73/63/75/1037736375.db2.gz KAFYRWSXBPHDCA-JITJBCMDSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246935187 1037736391 /nfs/dbraw/zinc/73/63/91/1037736391.db2.gz KAFYRWSXBPHDCA-JITJBCMDSA-N 2 1 376.516 3.892 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3c(F)cccc3C2)c1 ZINC001246957726 1037772232 /nfs/dbraw/zinc/77/22/32/1037772232.db2.gz MRGSURKAMPSDSE-NRFANRHFSA-N 2 1 396.506 3.724 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246959058 1037774198 /nfs/dbraw/zinc/77/41/98/1037774198.db2.gz UNMFNJUAMVSPNI-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccc(F)cc2)C2CC[NH2+]CC2)c1 ZINC001246958425 1037775151 /nfs/dbraw/zinc/77/51/51/1037775151.db2.gz OXMDKXQYBBHNET-QGZVFWFLSA-N 2 1 384.495 3.798 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)CC(C)(C)SC)C2CC[NH2+]CC2)c1 ZINC001246960474 1037779801 /nfs/dbraw/zinc/77/98/01/1037779801.db2.gz VWONMUXERHVDEI-INIZCTEOSA-N 2 1 378.582 3.947 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246964711 1037786941 /nfs/dbraw/zinc/78/69/41/1037786941.db2.gz MSZCSRNOXREELN-PXNSSMCTSA-N 2 1 376.516 3.810 20 0 GHADMP Brc1cnn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001462213362 1070087811 /nfs/dbraw/zinc/08/78/11/1070087811.db2.gz ACQIYMACVFXZKZ-MJGOQNOKSA-N 2 1 389.341 3.603 20 0 GHADMP Brc1cnn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001462213362 1070087825 /nfs/dbraw/zinc/08/78/25/1070087825.db2.gz ACQIYMACVFXZKZ-MJGOQNOKSA-N 2 1 389.341 3.603 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246984580 1037809633 /nfs/dbraw/zinc/80/96/33/1037809633.db2.gz MHWIQZXXBUXKGR-KZKYLIHBSA-N 2 1 377.576 3.945 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC[NH2+]1 ZINC001246986404 1037812485 /nfs/dbraw/zinc/81/24/85/1037812485.db2.gz SCRAFKCGJCKUFO-JOCHJYFZSA-N 2 1 379.548 3.918 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)c1 ZINC001246992291 1037813951 /nfs/dbraw/zinc/81/39/51/1037813951.db2.gz VPAFPEOZWZBMJX-CUYAVPTFSA-N 2 1 379.342 3.825 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001247010081 1037836083 /nfs/dbraw/zinc/83/60/83/1037836083.db2.gz MSGQULYNOXAYKI-LPHOPBHVSA-N 2 1 392.385 3.802 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001232412768 1038195797 /nfs/dbraw/zinc/19/57/97/1038195797.db2.gz RNUUTLSEFAIEPZ-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP COc1cc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001232497898 1038271289 /nfs/dbraw/zinc/27/12/89/1038271289.db2.gz VJMKUGJCJPVWST-UHFFFAOYSA-N 2 1 390.911 3.809 20 0 GHADMP COc1cc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001232497898 1038271300 /nfs/dbraw/zinc/27/13/00/1038271300.db2.gz VJMKUGJCJPVWST-UHFFFAOYSA-N 2 1 390.911 3.809 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4nccnc34)C[C@@H]21 ZINC001232544683 1038310812 /nfs/dbraw/zinc/31/08/12/1038310812.db2.gz BJSAVMGGIGVFHD-AYOQOUSVSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4nccnc34)C[C@@H]21 ZINC001232544683 1038310828 /nfs/dbraw/zinc/31/08/28/1038310828.db2.gz BJSAVMGGIGVFHD-AYOQOUSVSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4nccnc34)C[C@@H]21 ZINC001232544683 1038310842 /nfs/dbraw/zinc/31/08/42/1038310842.db2.gz BJSAVMGGIGVFHD-AYOQOUSVSA-N 2 1 381.549 3.704 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc4ccsc4c3)CC[C@@H]21 ZINC001232613652 1038401618 /nfs/dbraw/zinc/40/16/18/1038401618.db2.gz PJAARNHHCGMDRF-HKBOAZHASA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc4ccsc4c3)CC[C@@H]21 ZINC001232613652 1038401624 /nfs/dbraw/zinc/40/16/24/1038401624.db2.gz PJAARNHHCGMDRF-HKBOAZHASA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc4ccsc4c3)CC[C@@H]21 ZINC001232613652 1038401632 /nfs/dbraw/zinc/40/16/32/1038401632.db2.gz PJAARNHHCGMDRF-HKBOAZHASA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc4ccsc4c3)CC[C@@H]21 ZINC001232613652 1038401639 /nfs/dbraw/zinc/40/16/39/1038401639.db2.gz PJAARNHHCGMDRF-HKBOAZHASA-N 2 1 395.576 3.866 20 0 GHADMP c1cc(N2CCCCC2)ccc1-c1noc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247907901 1038481817 /nfs/dbraw/zinc/48/18/17/1038481817.db2.gz WYHPDPQYSGFQDM-IBGZPJMESA-N 2 1 395.551 3.658 20 0 GHADMP Fc1cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc(C(F)(F)F)c1 ZINC001247908807 1038481839 /nfs/dbraw/zinc/48/18/39/1038481839.db2.gz WUSYAGDMAKWNRS-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP c1cc(N2CCCCC2)ccc1-c1noc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247907904 1038482056 /nfs/dbraw/zinc/48/20/56/1038482056.db2.gz WYHPDPQYSGFQDM-LJQANCHMSA-N 2 1 395.551 3.658 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909418 1038485706 /nfs/dbraw/zinc/48/57/06/1038485706.db2.gz LQLJZPFKBDMFQY-UHFFFAOYSA-N 2 1 380.414 3.687 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705761 1038505601 /nfs/dbraw/zinc/50/56/01/1038505601.db2.gz AUQHXFSQHAEDNN-RTWAWAEBSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705761 1038505605 /nfs/dbraw/zinc/50/56/05/1038505605.db2.gz AUQHXFSQHAEDNN-RTWAWAEBSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705761 1038505608 /nfs/dbraw/zinc/50/56/08/1038505608.db2.gz AUQHXFSQHAEDNN-RTWAWAEBSA-N 2 1 396.506 3.956 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(O)cc(OC)c2)CC3)c1 ZINC001232802789 1038565787 /nfs/dbraw/zinc/56/57/87/1038565787.db2.gz LARHREIDUXJQKC-UHFFFAOYSA-N 2 1 396.531 3.898 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Cl)cnc2Br)CC1 ZINC001232958809 1038734126 /nfs/dbraw/zinc/73/41/26/1038734126.db2.gz HDJMTGTVUBTMTF-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1F)CC2 ZINC001233051579 1038809607 /nfs/dbraw/zinc/80/96/07/1038809607.db2.gz VOTDEZFIHHXVLS-FQEVSTJZSA-N 2 1 384.495 3.787 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccnc(Cl)c2Br)CC1 ZINC001233178677 1038951810 /nfs/dbraw/zinc/95/18/10/1038951810.db2.gz APEOFPIZCCNJSA-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP C[N@H+](Cc1cc(Br)c[nH]c1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233188259 1038957039 /nfs/dbraw/zinc/95/70/39/1038957039.db2.gz JMPQKEPXZZTDBF-INIZCTEOSA-N 2 1 390.325 3.504 20 0 GHADMP C[NH+](Cc1cc(Br)c[nH]c1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233188259 1038957051 /nfs/dbraw/zinc/95/70/51/1038957051.db2.gz JMPQKEPXZZTDBF-INIZCTEOSA-N 2 1 390.325 3.504 20 0 GHADMP C[NH+](Cc1cc(Br)c[nH]c1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233188259 1038957052 /nfs/dbraw/zinc/95/70/52/1038957052.db2.gz JMPQKEPXZZTDBF-INIZCTEOSA-N 2 1 390.325 3.504 20 0 GHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CN(C(=O)OCc4ccccc4)C3)CC2)C1 ZINC001462332151 1070177730 /nfs/dbraw/zinc/17/77/30/1070177730.db2.gz CWEVFGKAZUTVGG-AVRDEDQJSA-N 2 1 385.552 3.640 20 0 GHADMP O[C@]1(C[N@@H+]2CCC[C@H]2c2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)C1 ZINC001252927003 1039266941 /nfs/dbraw/zinc/26/69/41/1039266941.db2.gz DHBWDZRMIBOUSI-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[N@H+]2CCC[C@H]2c2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)C1 ZINC001252927003 1039266951 /nfs/dbraw/zinc/26/69/51/1039266951.db2.gz DHBWDZRMIBOUSI-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@H]2c2cc3ccccc3[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001252927003 1039266958 /nfs/dbraw/zinc/26/69/58/1039266958.db2.gz DHBWDZRMIBOUSI-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@H]2c2cc3ccccc3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252927003 1039266963 /nfs/dbraw/zinc/26/69/63/1039266963.db2.gz DHBWDZRMIBOUSI-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC(COc3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252931079 1039268972 /nfs/dbraw/zinc/26/89/72/1039268972.db2.gz HBWJFGHTMKOBLS-XMMPIXPASA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@]1(C[NH+]2CCC(COc3ccc(F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252931079 1039268987 /nfs/dbraw/zinc/26/89/87/1039268987.db2.gz HBWJFGHTMKOBLS-XMMPIXPASA-N 2 1 398.522 3.554 20 0 GHADMP O[C@]1(C[NH2+]CCSc2ccc(Cl)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252944026 1039287649 /nfs/dbraw/zinc/28/76/49/1039287649.db2.gz SLZVPUSNDBLPCG-FQEVSTJZSA-N 2 1 376.953 3.659 20 0 GHADMP O[C@]1(C[NH2+]CCSc2ccc(Cl)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944026 1039287666 /nfs/dbraw/zinc/28/76/66/1039287666.db2.gz SLZVPUSNDBLPCG-FQEVSTJZSA-N 2 1 376.953 3.659 20 0 GHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001462366289 1070204339 /nfs/dbraw/zinc/20/43/39/1070204339.db2.gz HKLSQROYWYAIRL-HBMCJLEFSA-N 2 1 389.584 3.718 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001253104376 1039426757 /nfs/dbraw/zinc/42/67/57/1039426757.db2.gz RHUWSVPIXABMCG-KBRIMQKVSA-N 2 1 382.346 3.629 20 0 GHADMP C[N@@H+](C[C@H](O)CCOCc1ccccc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001253271065 1039515559 /nfs/dbraw/zinc/51/55/59/1039515559.db2.gz CGRDIZMJYVNKON-RUZDIDTESA-N 2 1 396.575 3.798 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352029 1039563860 /nfs/dbraw/zinc/56/38/60/1039563860.db2.gz UDIQZGGVELMLHQ-NHCUHLMSSA-N 2 1 390.474 3.968 20 0 GHADMP O[C@H](C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360458 1039572719 /nfs/dbraw/zinc/57/27/19/1039572719.db2.gz GDGPERISXTVDPH-SXWKCWPCSA-N 2 1 386.486 3.842 20 0 GHADMP O[C@H](C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360458 1039572732 /nfs/dbraw/zinc/57/27/32/1039572732.db2.gz GDGPERISXTVDPH-SXWKCWPCSA-N 2 1 386.486 3.842 20 0 GHADMP O[C@H](C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360458 1039572743 /nfs/dbraw/zinc/57/27/43/1039572743.db2.gz GDGPERISXTVDPH-SXWKCWPCSA-N 2 1 386.486 3.842 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001253412655 1039607815 /nfs/dbraw/zinc/60/78/15/1039607815.db2.gz ODLMWYNQOSDPJD-LEWJYISDSA-N 2 1 390.955 3.937 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001234289785 1039953735 /nfs/dbraw/zinc/95/37/35/1039953735.db2.gz IPJJZIMGZOPNBU-BJKOFHAPSA-N 2 1 396.554 3.804 20 0 GHADMP OC1(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001254042216 1039971257 /nfs/dbraw/zinc/97/12/57/1039971257.db2.gz BIOZTGLBTHEDJY-QHCPKHFHSA-N 2 1 382.523 3.860 20 0 GHADMP Cc1cccc(NCCNC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001254123781 1039999343 /nfs/dbraw/zinc/99/93/43/1039999343.db2.gz IOEWDJKEDSGFFT-OAQYLSRUSA-N 2 1 395.551 3.546 20 0 GHADMP Cc1cccc(NCCNC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001254123781 1039999345 /nfs/dbraw/zinc/99/93/45/1039999345.db2.gz IOEWDJKEDSGFFT-OAQYLSRUSA-N 2 1 395.551 3.546 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C1CCC(F)(F)CC1)CC2 ZINC001254220173 1040074346 /nfs/dbraw/zinc/07/43/46/1040074346.db2.gz VXFFUCRPIKATIO-HXUWFJFHSA-N 2 1 393.522 3.962 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC001254510325 1040288606 /nfs/dbraw/zinc/28/86/06/1040288606.db2.gz MJWARJSSDOPIOS-FQEVSTJZSA-N 3 1 394.401 3.735 20 0 GHADMP C[N@@H+]1CCC[C@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC001254510325 1040288618 /nfs/dbraw/zinc/28/86/18/1040288618.db2.gz MJWARJSSDOPIOS-FQEVSTJZSA-N 2 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC001254510325 1040288636 /nfs/dbraw/zinc/28/86/36/1040288636.db2.gz MJWARJSSDOPIOS-FQEVSTJZSA-N 2 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CC1 ZINC001254511540 1040291314 /nfs/dbraw/zinc/29/13/14/1040291314.db2.gz BQBLQVAZZDCQFW-GOSISDBHSA-N 2 1 395.385 3.862 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)s2)c1 ZINC001234986796 1040482945 /nfs/dbraw/zinc/48/29/45/1040482945.db2.gz CPBWADGMHXRLFE-SFHVURJKSA-N 2 1 381.467 3.571 20 0 GHADMP COc1ccc(CCC[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)cc1 ZINC001235018454 1040506296 /nfs/dbraw/zinc/50/62/96/1040506296.db2.gz JAZJYQZHILHCJC-UHFFFAOYSA-N 2 1 380.532 3.773 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC001235034297 1040526048 /nfs/dbraw/zinc/52/60/48/1040526048.db2.gz WGTXWKSEFRBQSN-LJQANCHMSA-N 2 1 377.410 3.833 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC001235034297 1040526068 /nfs/dbraw/zinc/52/60/68/1040526068.db2.gz WGTXWKSEFRBQSN-LJQANCHMSA-N 2 1 377.410 3.833 20 0 GHADMP Brc1csc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC001235095945 1040586096 /nfs/dbraw/zinc/58/60/96/1040586096.db2.gz XWKRDCMYIKZPGZ-UHFFFAOYSA-N 2 1 394.176 3.849 20 0 GHADMP Brc1csc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC001235095945 1040586116 /nfs/dbraw/zinc/58/61/16/1040586116.db2.gz XWKRDCMYIKZPGZ-UHFFFAOYSA-N 2 1 394.176 3.849 20 0 GHADMP [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CC[NH+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254848725 1040591865 /nfs/dbraw/zinc/59/18/65/1040591865.db2.gz VLRUNKOMGBRNBL-LJQANCHMSA-N 2 1 381.486 3.526 20 0 GHADMP c1[nH+]c(C2CCCCC2)n2c1C[C@@H](c1nc([C@H]3C[NH+]4CCC3CC4)no1)CC2 ZINC001254851107 1040593752 /nfs/dbraw/zinc/59/37/52/1040593752.db2.gz RNYQXDULGFABJE-HKUYNNGSSA-N 2 1 381.524 3.853 20 0 GHADMP CC(C)(C)OC(=O)c1cc(F)c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c(F)c1 ZINC001235134306 1040627841 /nfs/dbraw/zinc/62/78/41/1040627841.db2.gz ZTLJUEIKPBHYEH-UHFFFAOYSA-N 2 1 380.479 3.886 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[N@@H+](Cc3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)C[C@H]21 ZINC001235211593 1040693547 /nfs/dbraw/zinc/69/35/47/1040693547.db2.gz YGCMAARQCUHIQY-FOLVSLTJSA-N 2 1 383.801 3.935 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)C[C@H]21 ZINC001235211593 1040693555 /nfs/dbraw/zinc/69/35/55/1040693555.db2.gz YGCMAARQCUHIQY-FOLVSLTJSA-N 2 1 383.801 3.935 20 0 GHADMP CN1CCC([N@@H+](C2CCCC2)C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001255011469 1040727690 /nfs/dbraw/zinc/72/76/90/1040727690.db2.gz VJNJDMQZZCTEEA-QILAJZQNSA-N 2 1 397.607 3.757 20 0 GHADMP CN(OCC[NH3+])[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255070408 1040764601 /nfs/dbraw/zinc/76/46/01/1040764601.db2.gz VGZDKYHYMUDZLN-WXFUMESZSA-N 2 1 379.548 3.574 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255100406 1040782653 /nfs/dbraw/zinc/78/26/53/1040782653.db2.gz YMKRLFYVHGLYQK-RBBKRZOGSA-N 2 1 391.515 3.521 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255100406 1040782656 /nfs/dbraw/zinc/78/26/56/1040782656.db2.gz YMKRLFYVHGLYQK-RBBKRZOGSA-N 2 1 391.515 3.521 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](CCCc3ccccc3C(F)(F)F)C[C@@H]1CC[NH2+]CC2 ZINC001235347917 1040822669 /nfs/dbraw/zinc/82/26/69/1040822669.db2.gz BDQINIPKMWJQHC-PXNSSMCTSA-N 2 1 398.469 3.503 20 0 GHADMP COCC[N@@H+](C[C@H](C)c1cccc(Br)c1)CC1CC[NH+](C)CC1 ZINC001462492524 1070299942 /nfs/dbraw/zinc/29/99/42/1070299942.db2.gz SEMAVRODLZSDQK-INIZCTEOSA-N 2 1 383.374 3.843 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)ccc1OC ZINC001235360609 1040846925 /nfs/dbraw/zinc/84/69/25/1040846925.db2.gz CIAKYDMXKAVIAS-ZJSXRUAMSA-N 2 1 380.532 3.847 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)ccc1OC ZINC001235360609 1040846954 /nfs/dbraw/zinc/84/69/54/1040846954.db2.gz CIAKYDMXKAVIAS-ZJSXRUAMSA-N 2 1 380.532 3.847 20 0 GHADMP CC[NH+](CC)CCCN1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255142257 1040851895 /nfs/dbraw/zinc/85/18/95/1040851895.db2.gz AWSXWIBNLVLJJB-QEIWAGNOSA-N 3 1 398.639 3.532 20 0 GHADMP O=C([C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144180 1040855465 /nfs/dbraw/zinc/85/54/65/1040855465.db2.gz RCAYURASVNDNJK-BXXSPATCSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144180 1040855469 /nfs/dbraw/zinc/85/54/69/1040855469.db2.gz RCAYURASVNDNJK-BXXSPATCSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144180 1040855471 /nfs/dbraw/zinc/85/54/71/1040855471.db2.gz RCAYURASVNDNJK-BXXSPATCSA-N 2 1 381.564 3.516 20 0 GHADMP CC(C)CC(=O)NC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255145947 1040857896 /nfs/dbraw/zinc/85/78/96/1040857896.db2.gz XXMNILFPAKBTGM-JKHIJQBDSA-N 2 1 383.580 3.809 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc2c1OCC=C2 ZINC001235375384 1040887135 /nfs/dbraw/zinc/88/71/35/1040887135.db2.gz NKMXHOZLCUFKJG-QPPBQGQZSA-N 2 1 376.500 3.680 20 0 GHADMP COc1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc2c1OCC=C2 ZINC001235375384 1040887144 /nfs/dbraw/zinc/88/71/44/1040887144.db2.gz NKMXHOZLCUFKJG-QPPBQGQZSA-N 2 1 376.500 3.680 20 0 GHADMP CCOc1cc(O)cc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398720 1040912761 /nfs/dbraw/zinc/91/27/61/1040912761.db2.gz TZOKOTMZBMFWQY-WDJPJFJCSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398720 1040912766 /nfs/dbraw/zinc/91/27/66/1040912766.db2.gz TZOKOTMZBMFWQY-WDJPJFJCSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398720 1040912767 /nfs/dbraw/zinc/91/27/67/1040912767.db2.gz TZOKOTMZBMFWQY-WDJPJFJCSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398718 1040912793 /nfs/dbraw/zinc/91/27/93/1040912793.db2.gz TZOKOTMZBMFWQY-IEXUWNMDSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398718 1040912810 /nfs/dbraw/zinc/91/28/10/1040912810.db2.gz TZOKOTMZBMFWQY-IEXUWNMDSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398718 1040912812 /nfs/dbraw/zinc/91/28/12/1040912812.db2.gz TZOKOTMZBMFWQY-IEXUWNMDSA-N 2 1 395.547 3.918 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3ncc(Br)cc3c1)C2 ZINC001235400246 1040913605 /nfs/dbraw/zinc/91/36/05/1040913605.db2.gz CRVBRSWVPTVWJW-QZTJIDSGSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3ncc(Br)cc3c1)C2 ZINC001235400246 1040913607 /nfs/dbraw/zinc/91/36/07/1040913607.db2.gz CRVBRSWVPTVWJW-QZTJIDSGSA-N 2 1 378.289 3.521 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1Br ZINC001235423918 1040925558 /nfs/dbraw/zinc/92/55/58/1040925558.db2.gz HDQMRWXAMNKRSX-JKSUJKDBSA-N 2 1 397.357 3.678 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)oc2c1 ZINC001235431292 1040932459 /nfs/dbraw/zinc/93/24/59/1040932459.db2.gz NJGKNTGMHVZMIK-KGLIPLIRSA-N 2 1 378.314 3.802 20 0 GHADMP Brc1ccc2[nH]c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235432220 1040933519 /nfs/dbraw/zinc/93/35/19/1040933519.db2.gz RBLNRHFCPUJXJK-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432220 1040933521 /nfs/dbraw/zinc/93/35/21/1040933521.db2.gz RBLNRHFCPUJXJK-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432220 1040933523 /nfs/dbraw/zinc/93/35/23/1040933523.db2.gz RBLNRHFCPUJXJK-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP C[N@H+](Cc1cccc(Br)c1Br)CC1CC[NH2+]CC1 ZINC001235433844 1040934764 /nfs/dbraw/zinc/93/47/64/1040934764.db2.gz SUXMAXNUTFPLEE-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+](CCC[NH2+]C2CCCCC2)CC3)c1 ZINC001235483337 1040956150 /nfs/dbraw/zinc/95/61/50/1040956150.db2.gz RODCWMWFYGSCJO-UHFFFAOYSA-N 2 1 382.527 3.996 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@@H+](CCC[NH2+]C2CCCCC2)CC3)c1 ZINC001235483337 1040956159 /nfs/dbraw/zinc/95/61/59/1040956159.db2.gz RODCWMWFYGSCJO-UHFFFAOYSA-N 2 1 382.527 3.996 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390763 1040979517 /nfs/dbraw/zinc/97/95/17/1040979517.db2.gz KQVDPVSPCYAXNK-GOTSBHOMSA-N 2 1 383.580 3.812 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC2)cc1 ZINC001255391788 1040980728 /nfs/dbraw/zinc/98/07/28/1040980728.db2.gz UAGZBFCGWOZPEY-HSZRJFAPSA-N 3 1 385.596 3.522 20 0 GHADMP c1ccc(CN2CCC[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC2)cc1 ZINC001255391788 1040980731 /nfs/dbraw/zinc/98/07/31/1040980731.db2.gz UAGZBFCGWOZPEY-HSZRJFAPSA-N 2 1 385.596 3.522 20 0 GHADMP [NH3+]CCc1nc(-c2ccccc2)nn1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255394200 1040982562 /nfs/dbraw/zinc/98/25/62/1040982562.db2.gz ULHPDZKXFOYXDN-OAQYLSRUSA-N 2 1 375.520 3.674 20 0 GHADMP Fc1ccc(N2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255398227 1040983758 /nfs/dbraw/zinc/98/37/58/1040983758.db2.gz IVJGTQXXKGRNRP-JOCHJYFZSA-N 2 1 382.527 3.788 20 0 GHADMP Fc1ccc(N2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255398227 1040983760 /nfs/dbraw/zinc/98/37/60/1040983760.db2.gz IVJGTQXXKGRNRP-JOCHJYFZSA-N 2 1 382.527 3.788 20 0 GHADMP Fc1ccc(N2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255398227 1040983761 /nfs/dbraw/zinc/98/37/61/1040983761.db2.gz IVJGTQXXKGRNRP-JOCHJYFZSA-N 2 1 382.527 3.788 20 0 GHADMP CC(C)(C)OC(=O)NC12CC([NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)(C1)C2 ZINC001255398493 1040984966 /nfs/dbraw/zinc/98/49/66/1040984966.db2.gz WAXBHHRJECTODM-YUVSOPLDSA-N 2 1 385.552 3.831 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCC(COCC[NH+]4CCCC4)CC3)CC2)cc1 ZINC001255399548 1040985030 /nfs/dbraw/zinc/98/50/30/1040985030.db2.gz UUBYGIQNDLPNOG-VWLOTQADSA-N 3 1 399.623 3.866 20 0 GHADMP c1ccc(CN2CCC[C@H]([NH+]3CCC(COCC[NH+]4CCCC4)CC3)CC2)cc1 ZINC001255399548 1040985035 /nfs/dbraw/zinc/98/50/35/1040985035.db2.gz UUBYGIQNDLPNOG-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001235575808 1040995000 /nfs/dbraw/zinc/99/50/00/1040995000.db2.gz QASBJGPONZJVJR-IEBWSBKVSA-N 3 1 397.579 3.917 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409659 1040997207 /nfs/dbraw/zinc/99/72/07/1040997207.db2.gz KERIKFJWKOAZIE-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409659 1040997210 /nfs/dbraw/zinc/99/72/10/1040997210.db2.gz KERIKFJWKOAZIE-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409659 1040997219 /nfs/dbraw/zinc/99/72/19/1040997219.db2.gz KERIKFJWKOAZIE-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409642 1040998645 /nfs/dbraw/zinc/99/86/45/1040998645.db2.gz JUNZGDUESWCECR-FYYLOGMGSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409642 1040998649 /nfs/dbraw/zinc/99/86/49/1040998649.db2.gz JUNZGDUESWCECR-FYYLOGMGSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409642 1040998653 /nfs/dbraw/zinc/99/86/53/1040998653.db2.gz JUNZGDUESWCECR-FYYLOGMGSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409859 1040999896 /nfs/dbraw/zinc/99/98/96/1040999896.db2.gz LWFICUOTWKPENO-SFTDATJTSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409859 1040999899 /nfs/dbraw/zinc/99/98/99/1040999899.db2.gz LWFICUOTWKPENO-SFTDATJTSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409859 1040999902 /nfs/dbraw/zinc/99/99/02/1040999902.db2.gz LWFICUOTWKPENO-SFTDATJTSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409859 1040999903 /nfs/dbraw/zinc/99/99/03/1040999903.db2.gz LWFICUOTWKPENO-SFTDATJTSA-N 2 1 381.520 3.598 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C2)C1=O ZINC001235635862 1041068901 /nfs/dbraw/zinc/06/89/01/1041068901.db2.gz ZPHYPYZWLNSITK-QHCPKHFHSA-N 2 1 395.572 3.540 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660597 1041108367 /nfs/dbraw/zinc/10/83/67/1041108367.db2.gz HHSNUQRFUMKNIR-HZUJVAHNSA-N 2 1 386.490 3.675 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001235659319 1041111607 /nfs/dbraw/zinc/11/16/07/1041111607.db2.gz PKXAFEWTRIJPOS-UHFFFAOYSA-N 2 1 384.593 3.626 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC001235659319 1041111634 /nfs/dbraw/zinc/11/16/34/1041111634.db2.gz PKXAFEWTRIJPOS-UHFFFAOYSA-N 2 1 384.593 3.626 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001235659319 1041111647 /nfs/dbraw/zinc/11/16/47/1041111647.db2.gz PKXAFEWTRIJPOS-UHFFFAOYSA-N 2 1 384.593 3.626 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235689438 1041161028 /nfs/dbraw/zinc/16/10/28/1041161028.db2.gz ZJRYLRANXKDJCE-QFIPXVFZSA-N 2 1 391.515 3.797 20 0 GHADMP COc1cccc([C@@H]2CCCC[N@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001235728063 1041212009 /nfs/dbraw/zinc/21/20/09/1041212009.db2.gz YCTOMHYWQFBXNU-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCC[C@H](C(F)(F)F)C3)CC2)C1 ZINC001255706689 1041227938 /nfs/dbraw/zinc/22/79/38/1041227938.db2.gz WXTQSFBJUAPAPK-RYRKJORJSA-N 2 1 390.490 3.847 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCC[C@H](C(F)(F)F)C3)CC2)C1 ZINC001255706689 1041227956 /nfs/dbraw/zinc/22/79/56/1041227956.db2.gz WXTQSFBJUAPAPK-RYRKJORJSA-N 2 1 390.490 3.847 20 0 GHADMP Cc1nc(F)ccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001235812349 1041325824 /nfs/dbraw/zinc/32/58/24/1041325824.db2.gz VIBINPOWUJNBKP-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001255849097 1041343609 /nfs/dbraw/zinc/34/36/09/1041343609.db2.gz POCYUUWEPBZKJL-ASLXYRGWSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1ccccc1F)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001255849097 1041343628 /nfs/dbraw/zinc/34/36/28/1041343628.db2.gz POCYUUWEPBZKJL-ASLXYRGWSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001255849097 1041343651 /nfs/dbraw/zinc/34/36/51/1041343651.db2.gz POCYUUWEPBZKJL-ASLXYRGWSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001255849097 1041343667 /nfs/dbraw/zinc/34/36/67/1041343667.db2.gz POCYUUWEPBZKJL-ASLXYRGWSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255870119 1041359883 /nfs/dbraw/zinc/35/98/83/1041359883.db2.gz IGNRXLRFAFVQPL-WMZHIEFXSA-N 2 1 397.538 3.907 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235834954 1041361896 /nfs/dbraw/zinc/36/18/96/1041361896.db2.gz QRHAZGRKXQOVIW-BWAGFHJFSA-N 2 1 383.580 3.628 20 0 GHADMP Clc1ccc([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C2)cc1Cl ZINC001235882895 1041409464 /nfs/dbraw/zinc/40/94/64/1041409464.db2.gz RVCMJGIRDSFAAL-KRWDZBQOSA-N 2 1 391.346 3.788 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001255958586 1041435947 /nfs/dbraw/zinc/43/59/47/1041435947.db2.gz DLCDLGZFVOFCOC-MRXNPFEDSA-N 2 1 383.374 3.853 20 0 GHADMP COCCC[N@@H+](Cc1ccc(Cl)c(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235937867 1041443529 /nfs/dbraw/zinc/44/35/29/1041443529.db2.gz SAZRREXCUGKJQB-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001255963636 1041443923 /nfs/dbraw/zinc/44/39/23/1041443923.db2.gz SBBDSPBHNAMOAZ-TZIWHRDSSA-N 2 1 394.554 3.735 20 0 GHADMP COCCC[N@@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)C1CC[NH2+]CC1 ZINC001235939725 1041445999 /nfs/dbraw/zinc/44/59/99/1041445999.db2.gz IJBFWEFULNZLBO-UHFFFAOYSA-N 2 1 396.531 3.731 20 0 GHADMP COCCC[N@@H+](Cc1ccc(F)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235940424 1041446028 /nfs/dbraw/zinc/44/60/28/1041446028.db2.gz ROWGUDPQVJOFEO-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)cc1Br ZINC001236008418 1041499767 /nfs/dbraw/zinc/49/97/67/1041499767.db2.gz DKTKNQGDEONQAW-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2Oc2cccc(Cl)c2)CC1 ZINC001236067071 1041519195 /nfs/dbraw/zinc/51/91/95/1041519195.db2.gz LNLVONOLZKUBFC-FQEVSTJZSA-N 2 1 388.895 3.845 20 0 GHADMP Fc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001236071742 1041522164 /nfs/dbraw/zinc/52/21/64/1041522164.db2.gz XNVOABSXFCLQJF-UHFFFAOYSA-N 2 1 393.428 3.812 20 0 GHADMP CCC[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC001236089716 1041528073 /nfs/dbraw/zinc/52/80/73/1041528073.db2.gz WWZWSPAXZJJEOS-HXUWFJFHSA-N 2 1 394.563 3.644 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236098488 1041533026 /nfs/dbraw/zinc/53/30/26/1041533026.db2.gz QPIKRZRDFFGERI-FPOVZHCZSA-N 2 1 384.545 3.705 20 0 GHADMP COc1ccc(Br)c2nc(Cl)c(C[N@@H+](C)CCCC[NH3+])cc12 ZINC001236142329 1041566009 /nfs/dbraw/zinc/56/60/09/1041566009.db2.gz VUMUICLSBNYAFR-UHFFFAOYSA-N 2 1 386.721 3.830 20 0 GHADMP [NH3+]CCCCC[NH+]1CCN(c2cc(=O)c3cccc(-c4ccccc4)c3o2)CC1 ZINC001236151753 1041572885 /nfs/dbraw/zinc/57/28/85/1041572885.db2.gz HWLYLSGYGXCDBM-UHFFFAOYSA-N 2 1 391.515 3.711 20 0 GHADMP COc1cccc(C[C@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001256165347 1041609830 /nfs/dbraw/zinc/60/98/30/1041609830.db2.gz VVJSLGAFKQJFDE-OHCHIEETSA-N 2 1 396.579 3.696 20 0 GHADMP COc1cccc(C[C@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001256165347 1041609868 /nfs/dbraw/zinc/60/98/68/1041609868.db2.gz VVJSLGAFKQJFDE-OHCHIEETSA-N 2 1 396.579 3.696 20 0 GHADMP COc1cccc(C[C@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001256165347 1041609880 /nfs/dbraw/zinc/60/98/80/1041609880.db2.gz VVJSLGAFKQJFDE-OHCHIEETSA-N 2 1 396.579 3.696 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)[C@H]3CC[C@H]([NH3+])CC3)c2n1 ZINC001236221166 1041628810 /nfs/dbraw/zinc/62/88/10/1041628810.db2.gz BGTFPLODWUSJDQ-HDJSIYSDSA-N 2 1 378.314 3.708 20 0 GHADMP C[N@@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236226052 1041631220 /nfs/dbraw/zinc/63/12/20/1041631220.db2.gz GCVKRHPUNCWARJ-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP C[NH+]1CCC([N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC1 ZINC001256204962 1041646665 /nfs/dbraw/zinc/64/66/65/1041646665.db2.gz ULPBBYQGEKWHHI-QPPBQGQZSA-N 2 1 379.548 3.626 20 0 GHADMP C[NH+]1CCC([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC1 ZINC001256204962 1041646674 /nfs/dbraw/zinc/64/66/74/1041646674.db2.gz ULPBBYQGEKWHHI-QPPBQGQZSA-N 2 1 379.548 3.626 20 0 GHADMP C[NH+]1CCC([NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CC1 ZINC001256207073 1041648873 /nfs/dbraw/zinc/64/88/73/1041648873.db2.gz BAABAEPUHFXVPW-IBGZPJMESA-N 2 1 395.591 3.661 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)c2c1 ZINC001236299780 1041664430 /nfs/dbraw/zinc/66/44/30/1041664430.db2.gz KOETXODZQXBQMA-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)c2c1 ZINC001236299780 1041664434 /nfs/dbraw/zinc/66/44/34/1041664434.db2.gz KOETXODZQXBQMA-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001236321037 1041670621 /nfs/dbraw/zinc/67/06/21/1041670621.db2.gz NTKOZESVTGHYPD-TXEJJXNPSA-N 2 1 393.247 3.779 20 0 GHADMP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cnc1Br ZINC001236374611 1041686446 /nfs/dbraw/zinc/68/64/46/1041686446.db2.gz FFZYXTKGUSJKNS-AWEZNQCLSA-N 2 1 382.346 3.597 20 0 GHADMP Cn1c2ccccc2c(Cl)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1=O ZINC001236376926 1041688686 /nfs/dbraw/zinc/68/86/86/1041688686.db2.gz WCCAFUYWRAZGNW-INIZCTEOSA-N 2 1 387.955 3.936 20 0 GHADMP Fc1ccc(C[N@H+](Cc2scc3c2OCCO3)CC2CC[NH2+]CC2)cc1 ZINC001236380123 1041690518 /nfs/dbraw/zinc/69/05/18/1041690518.db2.gz FLQMXTBRIQKYBK-UHFFFAOYSA-N 2 1 376.497 3.660 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001236383873 1041692593 /nfs/dbraw/zinc/69/25/93/1041692593.db2.gz YLSSYAKLGOFRBD-XGAFWQRZSA-N 2 1 390.543 3.997 20 0 GHADMP CCC(C)(C)c1ccc(C[N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)cc1 ZINC001236401329 1041702517 /nfs/dbraw/zinc/70/25/17/1041702517.db2.gz PJRPZQVBMMGTQS-UHFFFAOYSA-N 2 1 387.612 3.508 20 0 GHADMP c1csc(-c2ccc(C[N@@H+](CCN3CCOCC3)CC3CC[NH2+]CC3)cc2)c1 ZINC001236401919 1041702718 /nfs/dbraw/zinc/70/27/18/1041702718.db2.gz WPHPBNXDZSFABT-UHFFFAOYSA-N 2 1 399.604 3.549 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236401615 1041702869 /nfs/dbraw/zinc/70/28/69/1041702869.db2.gz PWGUZCGASIBZKC-UHFFFAOYSA-N 3 1 399.554 3.910 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236401615 1041702875 /nfs/dbraw/zinc/70/28/75/1041702875.db2.gz PWGUZCGASIBZKC-UHFFFAOYSA-N 3 1 399.554 3.910 20 0 GHADMP CC[N@H+](Cc1ccc(Br)c(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236408497 1041704809 /nfs/dbraw/zinc/70/48/09/1041704809.db2.gz NQEWOVVMQBHLPF-GFCCVEGCSA-N 2 1 376.136 3.643 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(c2c(C)cccc2C)CC1 ZINC001236434974 1041709872 /nfs/dbraw/zinc/70/98/72/1041709872.db2.gz ZSOCAICLHWYYGO-UHFFFAOYSA-N 2 1 384.593 3.858 20 0 GHADMP COCCCOc1ccc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236446674 1041715800 /nfs/dbraw/zinc/71/58/00/1041715800.db2.gz MFJJTNQGIQFVIZ-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COCCCOc1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236446674 1041715809 /nfs/dbraw/zinc/71/58/09/1041715809.db2.gz MFJJTNQGIQFVIZ-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CCOCC[N@H+](Cc1ccc(Cl)c(Br)c1)C1CC[NH2+]CC1 ZINC001236462207 1041724319 /nfs/dbraw/zinc/72/43/19/1041724319.db2.gz RJSGOIWTTDLNAS-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CC[NH2+]CC1 ZINC001236462207 1041724323 /nfs/dbraw/zinc/72/43/23/1041724323.db2.gz RJSGOIWTTDLNAS-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3[nH]ccc32)C2CC[NH2+]CC2)c1 ZINC001236465389 1041727345 /nfs/dbraw/zinc/72/73/45/1041727345.db2.gz SFCSMBIPNTWKQD-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3[nH]ccc32)C2CC[NH2+]CC2)c1 ZINC001236465389 1041727349 /nfs/dbraw/zinc/72/73/49/1041727349.db2.gz SFCSMBIPNTWKQD-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCc2cccc(Cl)c2)C2CC[NH2+]CC2)c1 ZINC001236466024 1041728038 /nfs/dbraw/zinc/72/80/38/1041728038.db2.gz WLOJEUFFRWKUEX-UHFFFAOYSA-N 2 1 386.923 3.923 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3ncsc3c2)C2CC[NH2+]CC2)c1 ZINC001236465917 1041728623 /nfs/dbraw/zinc/72/86/23/1041728623.db2.gz FPZNWXCOQFDCIF-UHFFFAOYSA-N 2 1 395.528 3.837 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3ncsc3c2)C2CC[NH2+]CC2)c1 ZINC001236465917 1041728628 /nfs/dbraw/zinc/72/86/28/1041728628.db2.gz FPZNWXCOQFDCIF-UHFFFAOYSA-N 2 1 395.528 3.837 20 0 GHADMP Fc1cnc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1C1CC[NH2+]CC1 ZINC001236472220 1041731173 /nfs/dbraw/zinc/73/11/73/1041731173.db2.gz YACKDYADBDJABV-UXHICEINSA-N 2 1 378.495 3.903 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256465535 1041745941 /nfs/dbraw/zinc/74/59/41/1041745941.db2.gz VMGMEOZLGAOCQS-SOAMZJECSA-N 2 1 395.588 3.525 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cn3cc(Br)ccc3n2)CC2CCC2)CC1 ZINC001236541675 1041756367 /nfs/dbraw/zinc/75/63/67/1041756367.db2.gz QPAOTDSKUUFRLP-SAABIXHNSA-N 2 1 391.357 3.969 20 0 GHADMP COc1ccc(-c2c(C[N@@H+](CC3CCC3)[C@H]3CC[C@H]([NH3+])CC3)cnn2C)cc1 ZINC001236541663 1041756819 /nfs/dbraw/zinc/75/68/19/1041756819.db2.gz QEOQIBGXZTUYLU-MEMLXQNLSA-N 2 1 382.552 3.968 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(cc2Br)OCO3)CC2CC2)CC1 ZINC001236550858 1041758308 /nfs/dbraw/zinc/75/83/08/1041758308.db2.gz HWBIAVXERDQIEU-SHTZXODSSA-N 2 1 381.314 3.660 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1 ZINC001236557232 1041761711 /nfs/dbraw/zinc/76/17/11/1041761711.db2.gz UCCRRLIVVJBIJN-LJQANCHMSA-N 2 1 392.547 3.511 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1 ZINC001236557232 1041761715 /nfs/dbraw/zinc/76/17/15/1041761715.db2.gz UCCRRLIVVJBIJN-LJQANCHMSA-N 2 1 392.547 3.511 20 0 GHADMP Cc1c(I)cccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236604001 1041776149 /nfs/dbraw/zinc/77/61/49/1041776149.db2.gz AZDOSODYQQHIOC-AWEZNQCLSA-N 2 1 384.305 3.564 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1I ZINC001236604872 1041777561 /nfs/dbraw/zinc/77/75/61/1041777561.db2.gz IHQWQELNSIAJPW-HNNXBMFYSA-N 2 1 384.305 3.564 20 0 GHADMP COc1ccc2sc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc2c1 ZINC001236658722 1041807998 /nfs/dbraw/zinc/80/79/98/1041807998.db2.gz OKRMIUOCLRKNHC-UHFFFAOYSA-N 2 1 396.560 3.761 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723720 1041857204 /nfs/dbraw/zinc/85/72/04/1041857204.db2.gz WLCJTOKPQMVGQQ-RQNOJGIXSA-N 3 1 392.591 3.677 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@@H]12 ZINC001236831451 1041921527 /nfs/dbraw/zinc/92/15/27/1041921527.db2.gz RHSWIBRTWCVIRQ-GAJTVXKRSA-N 2 1 379.220 3.517 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@@H]12 ZINC001236831451 1041921531 /nfs/dbraw/zinc/92/15/31/1041921531.db2.gz RHSWIBRTWCVIRQ-GAJTVXKRSA-N 2 1 379.220 3.517 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001236849385 1041927074 /nfs/dbraw/zinc/92/70/74/1041927074.db2.gz WOKNVDKSNAIYPS-GOSISDBHSA-N 2 1 386.565 3.665 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+]3CCn4cccc4[C@@H]3c3ccccc3)c2)CC1 ZINC001236886617 1041940464 /nfs/dbraw/zinc/94/04/64/1041940464.db2.gz GABKYIPEHOYJBB-VWLOTQADSA-N 2 1 386.543 3.845 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCn4cccc4[C@@H]3c3ccccc3)c2)CC1 ZINC001236886617 1041940466 /nfs/dbraw/zinc/94/04/66/1041940466.db2.gz GABKYIPEHOYJBB-VWLOTQADSA-N 2 1 386.543 3.845 20 0 GHADMP c1ncn(-c2cccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c2)n1 ZINC001236886450 1041940618 /nfs/dbraw/zinc/94/06/18/1041940618.db2.gz DZQWUWKMGBDLGJ-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2cccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2)n1 ZINC001236886450 1041940620 /nfs/dbraw/zinc/94/06/20/1041940620.db2.gz DZQWUWKMGBDLGJ-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2cccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2)n1 ZINC001236886450 1041940622 /nfs/dbraw/zinc/94/06/22/1041940622.db2.gz DZQWUWKMGBDLGJ-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001236893522 1041942908 /nfs/dbraw/zinc/94/29/08/1041942908.db2.gz KVEDSGMEJSXCCC-QHCPKHFHSA-N 2 1 393.531 3.562 20 0 GHADMP COc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)c(Cl)c3)C2)nc1 ZINC001236908222 1041950890 /nfs/dbraw/zinc/95/08/90/1041950890.db2.gz DXQXJJJRZDISIN-KRWDZBQOSA-N 2 1 384.867 3.583 20 0 GHADMP Brc1ccc2c(c1C[NH+]1CCC(CC3CC[NH2+]CC3)CC1)OCO2 ZINC001236962003 1041970701 /nfs/dbraw/zinc/97/07/01/1041970701.db2.gz KSFDBMBKJATTMV-UHFFFAOYSA-N 2 1 395.341 3.780 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237093636 1042032294 /nfs/dbraw/zinc/03/22/94/1042032294.db2.gz YLZYJALAJXDKGE-UHFFFAOYSA-N 2 1 388.353 3.833 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC001237150013 1042066094 /nfs/dbraw/zinc/06/60/94/1042066094.db2.gz CPNABBCBPTVPON-UHFFFAOYSA-N 2 1 377.941 3.990 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC001237150013 1042066103 /nfs/dbraw/zinc/06/61/03/1042066103.db2.gz CPNABBCBPTVPON-UHFFFAOYSA-N 2 1 377.941 3.990 20 0 GHADMP COc1c(C)cccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001237509784 1042243179 /nfs/dbraw/zinc/24/31/79/1042243179.db2.gz CIIKZQFBHKAPNW-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237722966 1042342329 /nfs/dbraw/zinc/34/23/29/1042342329.db2.gz JIXSPMLRWOPYSK-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237722966 1042342333 /nfs/dbraw/zinc/34/23/33/1042342333.db2.gz JIXSPMLRWOPYSK-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237722966 1042342336 /nfs/dbraw/zinc/34/23/36/1042342336.db2.gz JIXSPMLRWOPYSK-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237722966 1042342340 /nfs/dbraw/zinc/34/23/40/1042342340.db2.gz JIXSPMLRWOPYSK-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP Cc1nc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)ccc1F ZINC001237816868 1042384181 /nfs/dbraw/zinc/38/41/81/1042384181.db2.gz WFADXDBXTNQDDE-SFHVURJKSA-N 2 1 389.540 3.846 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cnc1C1CC1 ZINC001238619978 1042661284 /nfs/dbraw/zinc/66/12/84/1042661284.db2.gz XMGFSVMIVQJOAG-UHFFFAOYSA-N 2 1 381.520 3.727 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cnc1C1CC1 ZINC001238619978 1042661288 /nfs/dbraw/zinc/66/12/88/1042661288.db2.gz XMGFSVMIVQJOAG-UHFFFAOYSA-N 2 1 381.520 3.727 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001238684622 1042683623 /nfs/dbraw/zinc/68/36/23/1042683623.db2.gz FQWVVCGVMIITTQ-FCHUYYIVSA-N 2 1 384.955 3.612 20 0 GHADMP CCCCCCc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC001238702772 1042692177 /nfs/dbraw/zinc/69/21/77/1042692177.db2.gz IGUZCYPRRRXDGX-UHFFFAOYSA-N 2 1 391.625 3.857 20 0 GHADMP CC[NH+](CC)CCn1cc(-c2nc(C[NH+](C)C)nc3sc(C)c(C)c32)cn1 ZINC001239200740 1042785683 /nfs/dbraw/zinc/78/56/83/1042785683.db2.gz OJODLOQUEXSBES-UHFFFAOYSA-N 2 1 386.569 3.575 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001462657910 1070449221 /nfs/dbraw/zinc/44/92/21/1070449221.db2.gz ANDADMYYIKKEIO-CTAFRAEOSA-N 2 1 385.552 4.000 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001462657910 1070449226 /nfs/dbraw/zinc/44/92/26/1070449226.db2.gz ANDADMYYIKKEIO-CTAFRAEOSA-N 2 1 385.552 4.000 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3cccc(CN4CC[NH2+]CC4)c3)c(C)c2)CC1 ZINC001240231315 1042911120 /nfs/dbraw/zinc/91/11/20/1042911120.db2.gz LZVMJKCIUSISBS-UHFFFAOYSA-N 2 1 376.548 3.571 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)nc1 ZINC001240815403 1042956164 /nfs/dbraw/zinc/95/61/64/1042956164.db2.gz WLVKQKLJZIXIGF-KRWDZBQOSA-N 2 1 390.531 3.696 20 0 GHADMP CC(C)O[C@@H]1C[C@H](Nc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)C1(C)C ZINC001462670519 1070459848 /nfs/dbraw/zinc/45/98/48/1070459848.db2.gz YVBXDDWUPKSHTF-FCHUYYIVSA-N 2 1 382.552 3.991 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001291562509 1043344339 /nfs/dbraw/zinc/34/43/39/1043344339.db2.gz GPOBGNPMKVXHQU-MOPGFXCFSA-N 2 1 392.636 3.833 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)cc1 ZINC001291584984 1043350107 /nfs/dbraw/zinc/35/01/07/1043350107.db2.gz HTHVNJSQLCCMEG-IIBYNOLFSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)cc1 ZINC001291584984 1043350120 /nfs/dbraw/zinc/35/01/20/1043350120.db2.gz HTHVNJSQLCCMEG-IIBYNOLFSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)cc1 ZINC001291584984 1043350129 /nfs/dbraw/zinc/35/01/29/1043350129.db2.gz HTHVNJSQLCCMEG-IIBYNOLFSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)cc1 ZINC001291584984 1043350139 /nfs/dbraw/zinc/35/01/39/1043350139.db2.gz HTHVNJSQLCCMEG-IIBYNOLFSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)cc1 ZINC001291584984 1043350148 /nfs/dbraw/zinc/35/01/48/1043350148.db2.gz HTHVNJSQLCCMEG-IIBYNOLFSA-N 2 1 381.524 3.803 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC1COC1 ZINC001256525496 1043453275 /nfs/dbraw/zinc/45/32/75/1043453275.db2.gz CDMUHHQETNOTLY-RXVVDRJESA-N 2 1 396.531 3.616 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC1COC1 ZINC001256525496 1043453289 /nfs/dbraw/zinc/45/32/89/1043453289.db2.gz CDMUHHQETNOTLY-RXVVDRJESA-N 2 1 396.531 3.616 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256532488 1043466283 /nfs/dbraw/zinc/46/62/83/1043466283.db2.gz IZYZICXPSNYZQM-SIKLNZKXSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256532488 1043466299 /nfs/dbraw/zinc/46/62/99/1043466299.db2.gz IZYZICXPSNYZQM-SIKLNZKXSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256534996 1043473856 /nfs/dbraw/zinc/47/38/56/1043473856.db2.gz VVWMZUOFQFVJOG-UGKGYDQZSA-N 2 1 392.547 3.741 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256534996 1043473881 /nfs/dbraw/zinc/47/38/81/1043473881.db2.gz VVWMZUOFQFVJOG-UGKGYDQZSA-N 2 1 392.547 3.741 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535466 1043477342 /nfs/dbraw/zinc/47/73/42/1043477342.db2.gz ZURASJZNSLVWKJ-UEVCKROQSA-N 2 1 377.532 3.544 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256535466 1043477353 /nfs/dbraw/zinc/47/73/53/1043477353.db2.gz ZURASJZNSLVWKJ-UEVCKROQSA-N 2 1 377.532 3.544 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3cccnc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538249 1043483236 /nfs/dbraw/zinc/48/32/36/1043483236.db2.gz SHRHDYIZRSPCJA-REWPJTCUSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3cccnc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256538249 1043483243 /nfs/dbraw/zinc/48/32/43/1043483243.db2.gz SHRHDYIZRSPCJA-REWPJTCUSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@@H](N2CC3(C2)CC[NH+](Cc2cccnc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256539667 1043487344 /nfs/dbraw/zinc/48/73/44/1043487344.db2.gz DIQUNKQJDSFUEG-URXFXBBRSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@H]1C[C@@H](N2CC3(C2)CC[N@H+](Cc2cccnc2)C3)CC[NH+]1Cc1ccccc1 ZINC001256539667 1043487356 /nfs/dbraw/zinc/48/73/56/1043487356.db2.gz DIQUNKQJDSFUEG-URXFXBBRSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@H]1C[C@@H](N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)CC[NH+]1Cc1ccccc1 ZINC001256539667 1043487362 /nfs/dbraw/zinc/48/73/62/1043487362.db2.gz DIQUNKQJDSFUEG-URXFXBBRSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548684 1043510854 /nfs/dbraw/zinc/51/08/54/1043510854.db2.gz BZKVJTLTNVMDGF-NZQKXSOJSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548684 1043510868 /nfs/dbraw/zinc/51/08/68/1043510868.db2.gz BZKVJTLTNVMDGF-NZQKXSOJSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553520 1043520289 /nfs/dbraw/zinc/52/02/89/1043520289.db2.gz HXSZTOUWRNSXMN-ZJSXRUAMSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@@H]1C[C@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256553520 1043520294 /nfs/dbraw/zinc/52/02/94/1043520294.db2.gz HXSZTOUWRNSXMN-ZJSXRUAMSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@@H]1C[C@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001256553520 1043520301 /nfs/dbraw/zinc/52/03/01/1043520301.db2.gz HXSZTOUWRNSXMN-ZJSXRUAMSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@@H]1C[C@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001256553520 1043520311 /nfs/dbraw/zinc/52/03/11/1043520311.db2.gz HXSZTOUWRNSXMN-ZJSXRUAMSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557304 1043527964 /nfs/dbraw/zinc/52/79/64/1043527964.db2.gz LSJWMXBFNFSAAK-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256557304 1043527967 /nfs/dbraw/zinc/52/79/67/1043527967.db2.gz LSJWMXBFNFSAAK-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP COc1cc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ccn1 ZINC001256557560 1043530091 /nfs/dbraw/zinc/53/00/91/1043530091.db2.gz MURZSQGFYAMMBR-FPOVZHCZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ccn1 ZINC001256557560 1043530096 /nfs/dbraw/zinc/53/00/96/1043530096.db2.gz MURZSQGFYAMMBR-FPOVZHCZSA-N 2 1 395.547 3.987 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256558819 1043532936 /nfs/dbraw/zinc/53/29/36/1043532936.db2.gz WDEZGOXTXUVDEV-PZJWPPBQSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256558819 1043532940 /nfs/dbraw/zinc/53/29/40/1043532940.db2.gz WDEZGOXTXUVDEV-PZJWPPBQSA-N 2 1 380.536 3.681 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]12 ZINC001256570509 1043542940 /nfs/dbraw/zinc/54/29/40/1043542940.db2.gz LXEWARKGFDHJEM-VWNXMTODSA-N 2 1 383.580 3.514 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]12 ZINC001256570509 1043542947 /nfs/dbraw/zinc/54/29/47/1043542947.db2.gz LXEWARKGFDHJEM-VWNXMTODSA-N 2 1 383.580 3.514 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CC1 ZINC001256571352 1043544556 /nfs/dbraw/zinc/54/45/56/1043544556.db2.gz YGDDKQMUTONTSL-QRTHJKPMSA-N 2 1 387.543 3.985 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001256573701 1043546272 /nfs/dbraw/zinc/54/62/72/1043546272.db2.gz QYIOZQNGAWNXJD-QFIPXVFZSA-N 2 1 389.609 3.939 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256605715 1043569468 /nfs/dbraw/zinc/56/94/68/1043569468.db2.gz KYQHISMYBPSCMR-TZIWHRDSSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256605715 1043569473 /nfs/dbraw/zinc/56/94/73/1043569473.db2.gz KYQHISMYBPSCMR-TZIWHRDSSA-N 2 1 385.552 3.592 20 0 GHADMP CC[N@@H+](Cc1cccc(Br)c1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256696218 1043627143 /nfs/dbraw/zinc/62/71/43/1043627143.db2.gz YJWXYAABPKXCHE-UHFFFAOYSA-N 2 1 381.358 3.914 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256696842 1043629339 /nfs/dbraw/zinc/62/93/39/1043629339.db2.gz NUIVXISHHSNVDG-UMKFMLITSA-N 2 1 392.584 3.605 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCO[C@@H](c4ccccc4)C2)CC3)cn1 ZINC001256809905 1043665746 /nfs/dbraw/zinc/66/57/46/1043665746.db2.gz KESCHQLAYNCRQX-DHIUTWEWSA-N 2 1 394.563 3.771 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCO[C@@H](c4ccccc4)C2)CC3)cn1 ZINC001256809905 1043665753 /nfs/dbraw/zinc/66/57/53/1043665753.db2.gz KESCHQLAYNCRQX-DHIUTWEWSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256856338 1043705234 /nfs/dbraw/zinc/70/52/34/1043705234.db2.gz FUISKILDAPZXAN-QFIPXVFZSA-N 2 1 386.540 3.526 20 0 GHADMP c1cc(N2CCC([N@H+]3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)CC2)cc[nH+]1 ZINC001256858371 1043706709 /nfs/dbraw/zinc/70/67/09/1043706709.db2.gz FDAXRZQXTVKNSV-BJKOFHAPSA-N 2 1 399.579 3.881 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861898 1043708160 /nfs/dbraw/zinc/70/81/60/1043708160.db2.gz YTXRYJKMTBSCMW-DEOSSOPVSA-N 3 1 376.548 3.648 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861898 1043708168 /nfs/dbraw/zinc/70/81/68/1043708168.db2.gz YTXRYJKMTBSCMW-DEOSSOPVSA-N 3 1 376.548 3.648 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861898 1043708182 /nfs/dbraw/zinc/70/81/82/1043708182.db2.gz YTXRYJKMTBSCMW-DEOSSOPVSA-N 3 1 376.548 3.648 20 0 GHADMP c1ccc(CN2CC[C@]3(CC[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861898 1043708187 /nfs/dbraw/zinc/70/81/87/1043708187.db2.gz YTXRYJKMTBSCMW-DEOSSOPVSA-N 2 1 376.548 3.648 20 0 GHADMP c1ccc(CN2CC[C@]3(CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861898 1043708202 /nfs/dbraw/zinc/70/82/02/1043708202.db2.gz YTXRYJKMTBSCMW-DEOSSOPVSA-N 2 1 376.548 3.648 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256865757 1043711082 /nfs/dbraw/zinc/71/10/82/1043711082.db2.gz VFOVWXVPFRROIO-DHIUTWEWSA-N 3 1 390.575 3.894 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256865757 1043711086 /nfs/dbraw/zinc/71/10/86/1043711086.db2.gz VFOVWXVPFRROIO-DHIUTWEWSA-N 3 1 390.575 3.894 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256865757 1043711099 /nfs/dbraw/zinc/71/10/99/1043711099.db2.gz VFOVWXVPFRROIO-DHIUTWEWSA-N 3 1 390.575 3.894 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001292583154 1043796537 /nfs/dbraw/zinc/79/65/37/1043796537.db2.gz ZNLKUKQINRQISI-KZNAEPCWSA-N 2 1 391.522 3.620 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001292799443 1043880061 /nfs/dbraw/zinc/88/00/61/1043880061.db2.gz IMLWMJQYPYFKRW-MAUKXSAKSA-N 2 1 387.490 3.935 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(C4CC[NH+](C(C)C)CC4)CC3)C2)cc1 ZINC001257216506 1043939900 /nfs/dbraw/zinc/93/99/00/1043939900.db2.gz MGGWKULBYZNHKC-UHFFFAOYSA-N 2 1 385.596 3.535 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001257475350 1044007212 /nfs/dbraw/zinc/00/72/12/1044007212.db2.gz CLNGVISMKMMVCA-KAOXLYBCSA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001257475350 1044007226 /nfs/dbraw/zinc/00/72/26/1044007226.db2.gz CLNGVISMKMMVCA-KAOXLYBCSA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001257475350 1044007237 /nfs/dbraw/zinc/00/72/37/1044007237.db2.gz CLNGVISMKMMVCA-KAOXLYBCSA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001257480402 1044011633 /nfs/dbraw/zinc/01/16/33/1044011633.db2.gz WHWSGWIXZAIVLT-RTBURBONSA-N 2 1 376.589 3.896 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C[C@@H]2C1 ZINC001257497616 1044023439 /nfs/dbraw/zinc/02/34/39/1044023439.db2.gz KLGCSCCLMDFNAK-IZQOUKSCSA-N 2 1 376.585 3.752 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C[C@@H]2C1 ZINC001257497616 1044023458 /nfs/dbraw/zinc/02/34/58/1044023458.db2.gz KLGCSCCLMDFNAK-IZQOUKSCSA-N 2 1 376.585 3.752 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001257773575 1044162945 /nfs/dbraw/zinc/16/29/45/1044162945.db2.gz PUUOHVYPWMHURU-MAODHWIISA-N 2 1 391.600 3.830 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001257773575 1044162954 /nfs/dbraw/zinc/16/29/54/1044162954.db2.gz PUUOHVYPWMHURU-MAODHWIISA-N 2 1 391.600 3.830 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001257818434 1044200453 /nfs/dbraw/zinc/20/04/53/1044200453.db2.gz GEUPDXJGUWNTLX-KNQAVFIVSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257961011 1044279092 /nfs/dbraw/zinc/27/90/92/1044279092.db2.gz NLRLOMDKBJCADC-QZTJIDSGSA-N 2 1 378.944 3.655 20 0 GHADMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)C1CCC(c2ccccc2)CC1 ZINC001257997505 1044324782 /nfs/dbraw/zinc/32/47/82/1044324782.db2.gz ZXIKHKNAOTVGJA-LZBANZJXSA-N 2 1 394.563 3.864 20 0 GHADMP CC(C)C[NH+]1CCC(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001258012528 1044339432 /nfs/dbraw/zinc/33/94/32/1044339432.db2.gz VWEXGGQGWHNBGB-UHFFFAOYSA-N 2 1 384.612 3.878 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001258012528 1044339444 /nfs/dbraw/zinc/33/94/44/1044339444.db2.gz VWEXGGQGWHNBGB-UHFFFAOYSA-N 3 1 384.612 3.878 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001258012528 1044339460 /nfs/dbraw/zinc/33/94/60/1044339460.db2.gz VWEXGGQGWHNBGB-UHFFFAOYSA-N 3 1 384.612 3.878 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258063224 1044376149 /nfs/dbraw/zinc/37/61/49/1044376149.db2.gz FDZXTLWAEAHVQQ-RTBURBONSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258063224 1044376165 /nfs/dbraw/zinc/37/61/65/1044376165.db2.gz FDZXTLWAEAHVQQ-RTBURBONSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258063224 1044376181 /nfs/dbraw/zinc/37/61/81/1044376181.db2.gz FDZXTLWAEAHVQQ-RTBURBONSA-N 2 1 376.589 3.750 20 0 GHADMP Fc1cccc(CN2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258137863 1044423760 /nfs/dbraw/zinc/42/37/60/1044423760.db2.gz OMAINLQOZWAELC-DEOSSOPVSA-N 2 1 381.539 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC001258144281 1044430684 /nfs/dbraw/zinc/43/06/84/1044430684.db2.gz RAVVFPPAVVFWHB-RBBKRZOGSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)[C@@H]2C1 ZINC001258144281 1044430694 /nfs/dbraw/zinc/43/06/94/1044430694.db2.gz RAVVFPPAVVFWHB-RBBKRZOGSA-N 2 1 399.579 3.635 20 0 GHADMP COc1ccccc1O[C@@H]1CC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC001258146063 1044433217 /nfs/dbraw/zinc/43/32/17/1044433217.db2.gz QXQHXMNQNAXASZ-JOCHJYFZSA-N 2 1 380.532 3.855 20 0 GHADMP COc1ccccc1O[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146063 1044433234 /nfs/dbraw/zinc/43/32/34/1044433234.db2.gz QXQHXMNQNAXASZ-JOCHJYFZSA-N 2 1 380.532 3.855 20 0 GHADMP COc1ccccc1O[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146063 1044433245 /nfs/dbraw/zinc/43/32/45/1044433245.db2.gz QXQHXMNQNAXASZ-JOCHJYFZSA-N 2 1 380.532 3.855 20 0 GHADMP Cc1cccnc1O[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258149873 1044440438 /nfs/dbraw/zinc/44/04/38/1044440438.db2.gz RLFSWRYWWIDVGP-QHCPKHFHSA-N 2 1 379.548 3.940 20 0 GHADMP Cc1cccnc1O[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258149873 1044440442 /nfs/dbraw/zinc/44/04/42/1044440442.db2.gz RLFSWRYWWIDVGP-QHCPKHFHSA-N 2 1 379.548 3.940 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588358 1044661281 /nfs/dbraw/zinc/66/12/81/1044661281.db2.gz NIEIUBPMPQZKIZ-XPWALMASSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588358 1044661288 /nfs/dbraw/zinc/66/12/88/1044661288.db2.gz NIEIUBPMPQZKIZ-XPWALMASSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588358 1044661299 /nfs/dbraw/zinc/66/12/99/1044661299.db2.gz NIEIUBPMPQZKIZ-XPWALMASSA-N 2 1 383.580 3.907 20 0 GHADMP CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001294676036 1044760251 /nfs/dbraw/zinc/76/02/51/1044760251.db2.gz XORGJWYIHPRLNQ-HXUWFJFHSA-N 2 1 390.620 3.587 20 0 GHADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC001258862175 1044802477 /nfs/dbraw/zinc/80/24/77/1044802477.db2.gz PWLCPZWMWLXOIQ-FUHWJXTLSA-N 2 1 376.541 3.640 20 0 GHADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC001258862175 1044802490 /nfs/dbraw/zinc/80/24/90/1044802490.db2.gz PWLCPZWMWLXOIQ-FUHWJXTLSA-N 2 1 376.541 3.640 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC001258875303 1044819811 /nfs/dbraw/zinc/81/98/11/1044819811.db2.gz AQUYBLBVWOJMKC-KRWDZBQOSA-N 2 1 378.557 3.840 20 0 GHADMP CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCC[NH+](C(C)C)CC1)C(C)C ZINC001295857250 1045170380 /nfs/dbraw/zinc/17/03/80/1045170380.db2.gz RIZKGDJZKPAMRT-UHFFFAOYSA-N 2 1 392.636 3.518 20 0 GHADMP CC[NH+](CCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC001295857250 1045170391 /nfs/dbraw/zinc/17/03/91/1045170391.db2.gz RIZKGDJZKPAMRT-UHFFFAOYSA-N 2 1 392.636 3.518 20 0 GHADMP CC[NH+](CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1)C(C)C ZINC001295857250 1045170405 /nfs/dbraw/zinc/17/04/05/1045170405.db2.gz RIZKGDJZKPAMRT-UHFFFAOYSA-N 2 1 392.636 3.518 20 0 GHADMP CC[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000563811011 1045984856 /nfs/dbraw/zinc/98/48/56/1045984856.db2.gz PUCKELPBMPNNQI-SFHVURJKSA-N 2 1 389.927 3.680 20 0 GHADMP CC[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000563811011 1045984858 /nfs/dbraw/zinc/98/48/58/1045984858.db2.gz PUCKELPBMPNNQI-SFHVURJKSA-N 2 1 389.927 3.680 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]([NH3+])c1ccccc1 ZINC001261502748 1046012412 /nfs/dbraw/zinc/01/24/12/1046012412.db2.gz XDSWUOYZDRWXPU-OPAMFIHVSA-N 2 1 391.519 3.823 20 0 GHADMP O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001263186104 1046626126 /nfs/dbraw/zinc/62/61/26/1046626126.db2.gz SEJIJRBHSNHJAH-XZOQPEGZSA-N 2 1 398.510 3.539 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001302038072 1046790915 /nfs/dbraw/zinc/79/09/15/1046790915.db2.gz ZYZGVEXQDPCYTB-URXFXBBRSA-N 2 1 391.559 3.771 20 0 GHADMP Brc1ccoc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279132811 1047728077 /nfs/dbraw/zinc/72/80/77/1047728077.db2.gz OZIGQNPKVACJAW-GASCZTMLSA-N 2 1 378.314 3.714 20 0 GHADMP Brc1ccoc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279132811 1047728081 /nfs/dbraw/zinc/72/80/81/1047728081.db2.gz OZIGQNPKVACJAW-GASCZTMLSA-N 2 1 378.314 3.714 20 0 GHADMP Brc1ccoc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279132811 1047728089 /nfs/dbraw/zinc/72/80/89/1047728089.db2.gz OZIGQNPKVACJAW-GASCZTMLSA-N 2 1 378.314 3.714 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CC3C[C@H](C)O[C@@H](C)C3)C[C@H]2CC1 ZINC001279263535 1047751693 /nfs/dbraw/zinc/75/16/93/1047751693.db2.gz SBDJBYPSDAENOL-CPLUKWAASA-N 2 1 377.598 3.799 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CC3C[C@H](C)O[C@@H](C)C3)C[C@H]2CC1 ZINC001279263535 1047751696 /nfs/dbraw/zinc/75/16/96/1047751696.db2.gz SBDJBYPSDAENOL-CPLUKWAASA-N 2 1 377.598 3.799 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](CC3C[C@H](C)O[C@@H](C)C3)C[C@H]2CC1 ZINC001279263535 1047751700 /nfs/dbraw/zinc/75/17/00/1047751700.db2.gz SBDJBYPSDAENOL-CPLUKWAASA-N 2 1 377.598 3.799 20 0 GHADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)s3)C[C@H]2CC1 ZINC001279334314 1047772407 /nfs/dbraw/zinc/77/24/07/1047772407.db2.gz IINRVLOVEDALPV-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)s3)C[C@H]2CC1 ZINC001279334314 1047772411 /nfs/dbraw/zinc/77/24/11/1047772411.db2.gz IINRVLOVEDALPV-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)s3)C[C@H]2CC1 ZINC001279334314 1047772418 /nfs/dbraw/zinc/77/24/18/1047772418.db2.gz IINRVLOVEDALPV-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP Brc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001279384331 1047788469 /nfs/dbraw/zinc/78/84/69/1047788469.db2.gz DTMOTCLLRXQSFS-CALCHBBNSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001279384331 1047788476 /nfs/dbraw/zinc/78/84/76/1047788476.db2.gz DTMOTCLLRXQSFS-CALCHBBNSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001279384331 1047788479 /nfs/dbraw/zinc/78/84/79/1047788479.db2.gz DTMOTCLLRXQSFS-CALCHBBNSA-N 2 1 389.341 3.516 20 0 GHADMP Cc1ccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c(Br)c1 ZINC001279420013 1047799456 /nfs/dbraw/zinc/79/94/56/1047799456.db2.gz YDWUOUBHRIGIKC-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc(Br)c1O ZINC001279532272 1047834762 /nfs/dbraw/zinc/83/47/62/1047834762.db2.gz BTXGSEPZZRBLTK-UHFFFAOYSA-N 2 1 397.357 3.861 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc(Br)c1O ZINC001279532272 1047834772 /nfs/dbraw/zinc/83/47/72/1047834772.db2.gz BTXGSEPZZRBLTK-UHFFFAOYSA-N 2 1 397.357 3.861 20 0 GHADMP Clc1ncnc(Cl)c1CC[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279599197 1047861197 /nfs/dbraw/zinc/86/11/97/1047861197.db2.gz JADHSVHQZRLAKH-UHFFFAOYSA-N 2 1 394.350 3.642 20 0 GHADMP Clc1ncnc(Cl)c1CC[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279599197 1047861223 /nfs/dbraw/zinc/86/12/23/1047861223.db2.gz JADHSVHQZRLAKH-UHFFFAOYSA-N 2 1 394.350 3.642 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279621541 1047872101 /nfs/dbraw/zinc/87/21/01/1047872101.db2.gz WNRXQXVPHYSGJH-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(CC[NH+]2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279621541 1047872115 /nfs/dbraw/zinc/87/21/15/1047872115.db2.gz WNRXQXVPHYSGJH-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(CC[NH+]2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279621541 1047872128 /nfs/dbraw/zinc/87/21/28/1047872128.db2.gz WNRXQXVPHYSGJH-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(CC[N@@H+]2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279621541 1047872138 /nfs/dbraw/zinc/87/21/38/1047872138.db2.gz WNRXQXVPHYSGJH-IBGZPJMESA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279621541 1047872160 /nfs/dbraw/zinc/87/21/60/1047872160.db2.gz WNRXQXVPHYSGJH-IBGZPJMESA-N 2 1 375.523 3.849 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ncc(Cl)s3)C[C@H]2CC1 ZINC001279651939 1047894527 /nfs/dbraw/zinc/89/45/27/1047894527.db2.gz YGUAHDJRHAFAJM-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ncc(Cl)s3)C[C@H]2CC1 ZINC001279651939 1047894541 /nfs/dbraw/zinc/89/45/41/1047894541.db2.gz YGUAHDJRHAFAJM-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ncc(Cl)s3)C[C@H]2CC1 ZINC001279651939 1047894553 /nfs/dbraw/zinc/89/45/53/1047894553.db2.gz YGUAHDJRHAFAJM-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ncc(Cl)s3)C[C@H]2CC1 ZINC001279651939 1047894567 /nfs/dbraw/zinc/89/45/67/1047894567.db2.gz YGUAHDJRHAFAJM-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ccc(CN2CCC3(CC[N@H+](C)C3)CC2)cc1I ZINC001279873423 1047975688 /nfs/dbraw/zinc/97/56/88/1047975688.db2.gz BUSPFOFCVUTHES-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1I ZINC001279873423 1047975692 /nfs/dbraw/zinc/97/56/92/1047975692.db2.gz BUSPFOFCVUTHES-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1I ZINC001279873423 1047975694 /nfs/dbraw/zinc/97/56/94/1047975694.db2.gz BUSPFOFCVUTHES-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP CC(C)(C)OC(=O)CC[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001280046225 1048061773 /nfs/dbraw/zinc/06/17/73/1048061773.db2.gz SWTMRADMQKPINM-UHFFFAOYSA-N 2 1 378.479 3.849 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCCC2(CCN(CC[NH+]3CCCCC3)CC2)C1 ZINC001280256422 1048148948 /nfs/dbraw/zinc/14/89/48/1048148948.db2.gz JINQKEBMXGJABF-UHFFFAOYSA-N 2 1 375.523 3.993 20 0 GHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc3nc(Br)sc3c1)CC2 ZINC001280267349 1048152191 /nfs/dbraw/zinc/15/21/91/1048152191.db2.gz BXMGQUBSRHUTRK-UHFFFAOYSA-N 2 1 380.355 3.977 20 0 GHADMP COc1c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)ccc(Cl)c1Cl ZINC001280279036 1048158246 /nfs/dbraw/zinc/15/82/46/1048158246.db2.gz USEBADTWUCLIGI-UHFFFAOYSA-N 2 1 395.334 3.823 20 0 GHADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307597734 1049435597 /nfs/dbraw/zinc/43/55/97/1049435597.db2.gz KFMLCNISAROEHY-XZOQPEGZSA-N 2 1 380.532 3.930 20 0 GHADMP COC(=O)C[C@H]1CCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597734 1049435604 /nfs/dbraw/zinc/43/56/04/1049435604.db2.gz KFMLCNISAROEHY-XZOQPEGZSA-N 2 1 380.532 3.930 20 0 GHADMP COC(=O)C[C@H]1CCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597734 1049435607 /nfs/dbraw/zinc/43/56/07/1049435607.db2.gz KFMLCNISAROEHY-XZOQPEGZSA-N 2 1 380.532 3.930 20 0 GHADMP CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307647340 1049473938 /nfs/dbraw/zinc/47/39/38/1049473938.db2.gz SPQBXBVXPXAIOX-UHFFFAOYSA-N 2 1 387.612 3.862 20 0 GHADMP CCc1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001307659671 1049483765 /nfs/dbraw/zinc/48/37/65/1049483765.db2.gz VFYJQAVKHLNYMJ-RTBURBONSA-N 2 1 379.548 3.934 20 0 GHADMP CCCC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CCC1 ZINC001307669821 1049491921 /nfs/dbraw/zinc/49/19/21/1049491921.db2.gz ZVGMLJWVUOTDCY-HSZRJFAPSA-N 2 1 385.596 3.978 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC001307711098 1049526350 /nfs/dbraw/zinc/52/63/50/1049526350.db2.gz YKXGSCCDWJHLPH-SJLPKXTDSA-N 2 1 388.474 3.854 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC001307711098 1049526366 /nfs/dbraw/zinc/52/63/66/1049526366.db2.gz YKXGSCCDWJHLPH-SJLPKXTDSA-N 2 1 388.474 3.854 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC001307711098 1049526381 /nfs/dbraw/zinc/52/63/81/1049526381.db2.gz YKXGSCCDWJHLPH-SJLPKXTDSA-N 2 1 388.474 3.854 20 0 GHADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N3c4ccccc4CC[C@@H]3C)CC2)[nH+]c1C ZINC001308082993 1049827645 /nfs/dbraw/zinc/82/76/45/1049827645.db2.gz OSODAHMMUAXNPF-MAUKXSAKSA-N 2 1 380.536 3.962 20 0 GHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001308164173 1049895258 /nfs/dbraw/zinc/89/52/58/1049895258.db2.gz RBSPPDWCWJMKRU-GOSISDBHSA-N 2 1 378.630 3.506 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001290900824 1049948842 /nfs/dbraw/zinc/94/88/42/1049948842.db2.gz ZNEPSNFQMSWECQ-OHUMZHCVSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290900824 1049948846 /nfs/dbraw/zinc/94/88/46/1049948846.db2.gz ZNEPSNFQMSWECQ-OHUMZHCVSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001290900824 1049948849 /nfs/dbraw/zinc/94/88/49/1049948849.db2.gz ZNEPSNFQMSWECQ-OHUMZHCVSA-N 2 1 385.596 3.771 20 0 GHADMP CCCn1c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)nc2ccccc21 ZINC001308344311 1049953879 /nfs/dbraw/zinc/95/38/79/1049953879.db2.gz DXWTUHFTZCTIMI-NRFANRHFSA-N 2 1 392.547 3.693 20 0 GHADMP CCCn1c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)nc2ccccc21 ZINC001308344311 1049953881 /nfs/dbraw/zinc/95/38/81/1049953881.db2.gz DXWTUHFTZCTIMI-NRFANRHFSA-N 2 1 392.547 3.693 20 0 GHADMP CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001308635794 1050042593 /nfs/dbraw/zinc/04/25/93/1050042593.db2.gz SRQSFHSAFYURBT-RGCMJDONSA-N 2 1 384.564 3.997 20 0 GHADMP COCC[N@@H+](Cc1cc(C)c(F)cc1Br)CC1CC[NH+](C)CC1 ZINC001308895421 1050144628 /nfs/dbraw/zinc/14/46/28/1050144628.db2.gz PCFGZSSXILGUQI-UHFFFAOYSA-N 2 1 387.337 3.687 20 0 GHADMP COCC[N@H+](Cc1cc(C)c(F)cc1Br)CC1CC[NH+](C)CC1 ZINC001308895421 1050144630 /nfs/dbraw/zinc/14/46/30/1050144630.db2.gz PCFGZSSXILGUQI-UHFFFAOYSA-N 2 1 387.337 3.687 20 0 GHADMP CN(Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001308920731 1050171603 /nfs/dbraw/zinc/17/16/03/1050171603.db2.gz AZTWCBMAJREHOZ-QFIPXVFZSA-N 2 1 375.520 3.754 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC001327717605 1050261719 /nfs/dbraw/zinc/26/17/19/1050261719.db2.gz HYLLNMSDBKVGPV-QHCPKHFHSA-N 2 1 379.548 3.728 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC001310810648 1051609857 /nfs/dbraw/zinc/60/98/57/1051609857.db2.gz TWGSBIXBGREJJE-FQEVSTJZSA-N 2 1 377.492 3.819 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cn2cc[nH+]c12 ZINC001310810648 1051609860 /nfs/dbraw/zinc/60/98/60/1051609860.db2.gz TWGSBIXBGREJJE-FQEVSTJZSA-N 2 1 377.492 3.819 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(OC)c(OC)c1 ZINC001333464474 1051746355 /nfs/dbraw/zinc/74/63/55/1051746355.db2.gz CZCOZCPCVALLMC-JOCHJYFZSA-N 2 1 397.563 3.692 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC001311314412 1052013407 /nfs/dbraw/zinc/01/34/07/1052013407.db2.gz PCMJIRWNEFRPEK-MOPGFXCFSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)cc1 ZINC001311492661 1052199419 /nfs/dbraw/zinc/19/94/19/1052199419.db2.gz DDMNMCWIYSFSFX-PMACEKPBSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC001311492661 1052199429 /nfs/dbraw/zinc/19/94/29/1052199429.db2.gz DDMNMCWIYSFSFX-PMACEKPBSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC001311492661 1052199437 /nfs/dbraw/zinc/19/94/37/1052199437.db2.gz DDMNMCWIYSFSFX-PMACEKPBSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001311587492 1052267601 /nfs/dbraw/zinc/26/76/01/1052267601.db2.gz CPGIIEVYTJZPEB-HSALFYBXSA-N 2 1 388.600 3.694 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001311594679 1052271485 /nfs/dbraw/zinc/27/14/85/1052271485.db2.gz JOXPEESGBDJNDS-QHCPKHFHSA-N 2 1 392.547 3.658 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001311594679 1052271496 /nfs/dbraw/zinc/27/14/96/1052271496.db2.gz JOXPEESGBDJNDS-QHCPKHFHSA-N 2 1 392.547 3.658 20 0 GHADMP CCCN(C(=O)N[C@@H](C)C[NH+](CC)CC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001311749534 1052373817 /nfs/dbraw/zinc/37/38/17/1052373817.db2.gz LZWAFKVBNJKNJS-UNMCSNQZSA-N 2 1 388.600 3.803 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C1 ZINC001311887590 1052458653 /nfs/dbraw/zinc/45/86/53/1052458653.db2.gz OWSZBDBSDDEZGQ-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001311887590 1052458657 /nfs/dbraw/zinc/45/86/57/1052458657.db2.gz OWSZBDBSDDEZGQ-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001311887590 1052458664 /nfs/dbraw/zinc/45/86/64/1052458664.db2.gz OWSZBDBSDDEZGQ-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001311889238 1052459727 /nfs/dbraw/zinc/45/97/27/1052459727.db2.gz YCXFEAPVIVEJBS-IFMALSPDSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001311953472 1052498760 /nfs/dbraw/zinc/49/87/60/1052498760.db2.gz UHAZIWDIOCUQEQ-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001312647162 1052824123 /nfs/dbraw/zinc/82/41/23/1052824123.db2.gz SZCCGFJKQNQAKS-PKTZIBPZSA-N 2 1 398.595 3.735 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001313088887 1052954521 /nfs/dbraw/zinc/95/45/21/1052954521.db2.gz AGJAALHKHAYRFB-UHFFFAOYSA-N 2 1 388.600 3.708 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC001318671468 1054788831 /nfs/dbraw/zinc/78/88/31/1054788831.db2.gz KUPBRQLNSCBQIG-PXNSSMCTSA-N 2 1 392.975 3.603 20 0 GHADMP O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001319288754 1055158851 /nfs/dbraw/zinc/15/88/51/1055158851.db2.gz CZAFSENEWBFJRQ-PMACEKPBSA-N 2 1 387.593 3.686 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001300646916 1056763541 /nfs/dbraw/zinc/76/35/41/1056763541.db2.gz NCWGXBQWOFXBQY-ILWGZMRPSA-N 2 1 387.612 3.985 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(C)(C)C[C@@H]1c1ccccc1 ZINC001300646916 1056763550 /nfs/dbraw/zinc/76/35/50/1056763550.db2.gz NCWGXBQWOFXBQY-ILWGZMRPSA-N 2 1 387.612 3.985 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001200714528 1056797738 /nfs/dbraw/zinc/79/77/38/1056797738.db2.gz KOMGZCVKPPDTLX-YCRPNKLZSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001200714528 1056797742 /nfs/dbraw/zinc/79/77/42/1056797742.db2.gz KOMGZCVKPPDTLX-YCRPNKLZSA-N 2 1 390.549 3.947 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccc(F)cc1 ZINC001323003277 1056906472 /nfs/dbraw/zinc/90/64/72/1056906472.db2.gz LSSKKAGIMHERRN-FCHUYYIVSA-N 2 1 390.462 3.561 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccc(F)cc1 ZINC001323003277 1056906474 /nfs/dbraw/zinc/90/64/74/1056906474.db2.gz LSSKKAGIMHERRN-FCHUYYIVSA-N 2 1 390.462 3.561 20 0 GHADMP Cc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001323659491 1056995968 /nfs/dbraw/zinc/99/59/68/1056995968.db2.gz KOKGPSSVXJHJGD-NZQKXSOJSA-N 2 1 388.515 3.769 20 0 GHADMP CC1CC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001324110317 1057071842 /nfs/dbraw/zinc/07/18/42/1057071842.db2.gz CFJFUHIJACFLSF-NOTZXAQLSA-N 2 1 398.595 3.603 20 0 GHADMP CN(CC1CC[NH+](C)CC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324174463 1057084426 /nfs/dbraw/zinc/08/44/26/1057084426.db2.gz KWKJDWWEJUANGV-NOTZXAQLSA-N 2 1 398.595 3.555 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccc(Br)cc2)cn1 ZINC000848478658 1057116435 /nfs/dbraw/zinc/11/64/35/1057116435.db2.gz QPLYVVWYOVUGIL-UHFFFAOYSA-N 2 1 377.330 3.544 20 0 GHADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001325149985 1057280937 /nfs/dbraw/zinc/28/09/37/1057280937.db2.gz GVZMSGVIAXFTAV-DYESRHJHSA-N 2 1 376.504 3.940 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001326075612 1057409236 /nfs/dbraw/zinc/40/92/36/1057409236.db2.gz QKNXSISZEUVXDA-NOTZXAQLSA-N 2 1 398.595 3.744 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC001356506246 1057531469 /nfs/dbraw/zinc/53/14/69/1057531469.db2.gz GPLRBQJRDWTANP-OHUMZHCVSA-N 2 1 385.596 3.914 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001356506246 1057531478 /nfs/dbraw/zinc/53/14/78/1057531478.db2.gz GPLRBQJRDWTANP-OHUMZHCVSA-N 2 1 385.596 3.914 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001356506246 1057531483 /nfs/dbraw/zinc/53/14/83/1057531483.db2.gz GPLRBQJRDWTANP-OHUMZHCVSA-N 2 1 385.596 3.914 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCSCC1)c1ccc(C(F)(F)F)cc1 ZINC000849063478 1057573967 /nfs/dbraw/zinc/57/39/67/1057573967.db2.gz GVBPBPCVKVMBNW-INIZCTEOSA-N 2 1 388.503 3.661 20 0 GHADMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083608 1057586249 /nfs/dbraw/zinc/58/62/49/1057586249.db2.gz ALIBGWIZVPPVJZ-OAHLLOKOSA-N 2 1 382.386 3.952 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000849092572 1057592090 /nfs/dbraw/zinc/59/20/90/1057592090.db2.gz QXVVEXZBSBQOOQ-NHCUHLMSSA-N 2 1 378.520 3.535 20 0 GHADMP O=C(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC001327089266 1057596046 /nfs/dbraw/zinc/59/60/46/1057596046.db2.gz JJOKEZPVPIFKLB-JOCHJYFZSA-N 2 1 397.588 3.809 20 0 GHADMP C[S@@](=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001327211100 1057622164 /nfs/dbraw/zinc/62/21/64/1057622164.db2.gz VHZAUXYBVAMZSD-KDYSTLNUSA-N 2 1 382.573 3.816 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c(C)o1 ZINC001337745083 1058245581 /nfs/dbraw/zinc/24/55/81/1058245581.db2.gz FZODPVUIQHDVCF-IBGZPJMESA-N 2 1 383.536 3.590 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)o1 ZINC001337745083 1058245589 /nfs/dbraw/zinc/24/55/89/1058245589.db2.gz FZODPVUIQHDVCF-IBGZPJMESA-N 2 1 383.536 3.590 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)cc3)c2)CCO1 ZINC001339598959 1059333920 /nfs/dbraw/zinc/33/39/20/1059333920.db2.gz FXJUXRXUBNMNJK-LJQANCHMSA-N 2 1 390.531 3.598 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)cc3)c2)CCO1 ZINC001339598959 1059333945 /nfs/dbraw/zinc/33/39/45/1059333945.db2.gz FXJUXRXUBNMNJK-LJQANCHMSA-N 2 1 390.531 3.598 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001447500852 1059972985 /nfs/dbraw/zinc/97/29/85/1059972985.db2.gz QXGCOFBOJMTNIO-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001447500852 1059972987 /nfs/dbraw/zinc/97/29/87/1059972987.db2.gz QXGCOFBOJMTNIO-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001447500852 1059972989 /nfs/dbraw/zinc/97/29/89/1059972989.db2.gz QXGCOFBOJMTNIO-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc(CC[NH+](C)C)c3)C2)s1 ZINC001449179413 1060348747 /nfs/dbraw/zinc/34/87/47/1060348747.db2.gz WQJWVZOMKQTLHL-HXUWFJFHSA-N 2 1 399.604 3.755 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCCCC[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001454664625 1061905906 /nfs/dbraw/zinc/90/59/06/1061905906.db2.gz ANTIWKJQUCXTPF-PNJWGLBASA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001454664625 1061905912 /nfs/dbraw/zinc/90/59/12/1061905912.db2.gz ANTIWKJQUCXTPF-PNJWGLBASA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CCCCC[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001454664625 1061905914 /nfs/dbraw/zinc/90/59/14/1061905914.db2.gz ANTIWKJQUCXTPF-PNJWGLBASA-N 2 1 383.580 3.668 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001455200029 1062046083 /nfs/dbraw/zinc/04/60/83/1062046083.db2.gz SDBCTTRQMVCVKT-HSZRJFAPSA-N 2 1 385.596 3.666 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC001347514954 1062457912 /nfs/dbraw/zinc/45/79/12/1062457912.db2.gz NXYZXZSQAJUDJM-UOFCYQDVSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC001347514954 1062457917 /nfs/dbraw/zinc/45/79/17/1062457917.db2.gz NXYZXZSQAJUDJM-UOFCYQDVSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC001347514954 1062457929 /nfs/dbraw/zinc/45/79/29/1062457929.db2.gz NXYZXZSQAJUDJM-UOFCYQDVSA-N 2 1 398.595 3.696 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001456795633 1062862667 /nfs/dbraw/zinc/86/26/67/1062862667.db2.gz IDHKZUIYGFXYIU-XZOQPEGZSA-N 2 1 397.538 3.627 20 0 GHADMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001456795633 1062862686 /nfs/dbraw/zinc/86/26/86/1062862686.db2.gz IDHKZUIYGFXYIU-XZOQPEGZSA-N 2 1 397.538 3.627 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC001456893636 1062909298 /nfs/dbraw/zinc/90/92/98/1062909298.db2.gz KUGOSIVHEHFRIT-PMACEKPBSA-N 2 1 389.584 3.646 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001435803235 1062936957 /nfs/dbraw/zinc/93/69/57/1062936957.db2.gz FJFDNEZAHXLHRE-RXVVDRJESA-N 2 1 381.520 3.516 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001457420339 1063167060 /nfs/dbraw/zinc/16/70/60/1063167060.db2.gz COKORUDOPVUYSN-LAUBAEHRSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC001457420339 1063167077 /nfs/dbraw/zinc/16/70/77/1063167077.db2.gz COKORUDOPVUYSN-LAUBAEHRSA-N 2 1 387.955 3.970 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001436206686 1063290452 /nfs/dbraw/zinc/29/04/52/1063290452.db2.gz UMNDGAGPCYOPTH-CAUSLRQDSA-N 2 1 397.607 3.866 20 0 GHADMP CC(C)C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC001459305990 1064054768 /nfs/dbraw/zinc/05/47/68/1064054768.db2.gz HOUVNUKVIUVMIM-HXUWFJFHSA-N 2 1 379.976 3.960 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)O2 ZINC001459604036 1064140000 /nfs/dbraw/zinc/14/00/00/1064140000.db2.gz IKODCCNUEZIFNA-AVCGJXAMSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)O2 ZINC001459604036 1064140007 /nfs/dbraw/zinc/14/00/07/1064140007.db2.gz IKODCCNUEZIFNA-AVCGJXAMSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)O2 ZINC001459604036 1064140013 /nfs/dbraw/zinc/14/00/13/1064140013.db2.gz IKODCCNUEZIFNA-AVCGJXAMSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)O2 ZINC001459604036 1064140023 /nfs/dbraw/zinc/14/00/23/1064140023.db2.gz IKODCCNUEZIFNA-AVCGJXAMSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)O2 ZINC001459604043 1064140147 /nfs/dbraw/zinc/14/01/47/1064140147.db2.gz IKODCCNUEZIFNA-RZFNWQHOSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)O2 ZINC001459604043 1064140150 /nfs/dbraw/zinc/14/01/50/1064140150.db2.gz IKODCCNUEZIFNA-RZFNWQHOSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)O2 ZINC001459604043 1064140156 /nfs/dbraw/zinc/14/01/56/1064140156.db2.gz IKODCCNUEZIFNA-RZFNWQHOSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)O2 ZINC001459604043 1064140157 /nfs/dbraw/zinc/14/01/57/1064140157.db2.gz IKODCCNUEZIFNA-RZFNWQHOSA-N 2 1 380.532 3.984 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)Cc2cccs2)CC1 ZINC001459629201 1064149694 /nfs/dbraw/zinc/14/96/94/1064149694.db2.gz QPPFHNOTSPIYCJ-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)Cc2cccs2)CC1 ZINC001459629201 1064149702 /nfs/dbraw/zinc/14/97/02/1064149702.db2.gz QPPFHNOTSPIYCJ-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)Cc2cccs2)CC1 ZINC001459629201 1064149703 /nfs/dbraw/zinc/14/97/03/1064149703.db2.gz QPPFHNOTSPIYCJ-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC001459687659 1064170240 /nfs/dbraw/zinc/17/02/40/1064170240.db2.gz SODPBOVFWKICKD-QHCPKHFHSA-N 2 1 379.548 3.504 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001459997649 1064330135 /nfs/dbraw/zinc/33/01/35/1064330135.db2.gz RWZBKZUFLVSNER-GHTZIAJQSA-N 2 1 383.511 3.963 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC001351375317 1064414865 /nfs/dbraw/zinc/41/48/65/1064414865.db2.gz SFBSBDFQVYLDRY-LRSLUSHPSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC001351375317 1064414869 /nfs/dbraw/zinc/41/48/69/1064414869.db2.gz SFBSBDFQVYLDRY-LRSLUSHPSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC001351375317 1064414875 /nfs/dbraw/zinc/41/48/75/1064414875.db2.gz SFBSBDFQVYLDRY-LRSLUSHPSA-N 2 1 394.676 3.697 20 0 GHADMP COCc1c(C)cc(C)c(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c1C ZINC001200046801 1065068517 /nfs/dbraw/zinc/06/85/17/1065068517.db2.gz XJPSFUCKMXSGHU-UHFFFAOYSA-N 2 1 395.591 3.795 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001464560432 1065081656 /nfs/dbraw/zinc/08/16/56/1065081656.db2.gz LMEHWBSULYPXBG-UHFFFAOYSA-N 2 1 397.588 3.657 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001465763472 1065839239 /nfs/dbraw/zinc/83/92/39/1065839239.db2.gz JBUARKZOQQIHOL-GZOXUSKESA-N 2 1 393.575 3.677 20 0 GHADMP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001300338383 1066031250 /nfs/dbraw/zinc/03/12/50/1066031250.db2.gz SNLKLQBSKYOAHT-JOCHJYFZSA-N 2 1 389.559 3.951 20 0 GHADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001300338383 1066031266 /nfs/dbraw/zinc/03/12/66/1066031266.db2.gz SNLKLQBSKYOAHT-JOCHJYFZSA-N 2 1 389.559 3.951 20 0 GHADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001300338383 1066031276 /nfs/dbraw/zinc/03/12/76/1066031276.db2.gz SNLKLQBSKYOAHT-JOCHJYFZSA-N 2 1 389.559 3.951 20 0 GHADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001300338383 1066031288 /nfs/dbraw/zinc/03/12/88/1066031288.db2.gz SNLKLQBSKYOAHT-JOCHJYFZSA-N 2 1 389.559 3.951 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C[N@@H+]2C1 ZINC001466950239 1066409560 /nfs/dbraw/zinc/40/95/60/1066409560.db2.gz PQTNKJASNAXHDY-KMFMINBZSA-N 2 1 394.357 3.570 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C[N@H+]2C1 ZINC001466950239 1066409566 /nfs/dbraw/zinc/40/95/66/1066409566.db2.gz PQTNKJASNAXHDY-KMFMINBZSA-N 2 1 394.357 3.570 20 0 GHADMP CC[N@@H+](CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C(C)C ZINC001467002390 1066439426 /nfs/dbraw/zinc/43/94/26/1066439426.db2.gz FKHSKSPXCODSJN-UHFFFAOYSA-N 2 1 378.586 3.726 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001467297821 1067208085 /nfs/dbraw/zinc/20/80/85/1067208085.db2.gz BBSOSMPSFLXUDQ-TUACAJSNSA-N 2 1 393.575 3.749 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC001467575821 1067367126 /nfs/dbraw/zinc/36/71/26/1067367126.db2.gz SKPSYTDNZSFART-UHFFFAOYSA-N 2 1 390.616 3.835 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4C)cc2)C1 ZINC001467605150 1067382260 /nfs/dbraw/zinc/38/22/60/1067382260.db2.gz FEWLMIRZODRNBI-YDLSIGKMSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)cc2)C1 ZINC001467605150 1067382273 /nfs/dbraw/zinc/38/22/73/1067382273.db2.gz FEWLMIRZODRNBI-YDLSIGKMSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)cc2)C1 ZINC001467605150 1067382279 /nfs/dbraw/zinc/38/22/79/1067382279.db2.gz FEWLMIRZODRNBI-YDLSIGKMSA-N 2 1 398.595 3.543 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC001467861695 1067503600 /nfs/dbraw/zinc/50/36/00/1067503600.db2.gz NSPCHLJEPHJTRJ-FQEVSTJZSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001467861695 1067503608 /nfs/dbraw/zinc/50/36/08/1067503608.db2.gz NSPCHLJEPHJTRJ-FQEVSTJZSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC001467861695 1067503619 /nfs/dbraw/zinc/50/36/19/1067503619.db2.gz NSPCHLJEPHJTRJ-FQEVSTJZSA-N 2 1 388.600 3.838 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)CC(C)C ZINC001467950344 1067542677 /nfs/dbraw/zinc/54/26/77/1067542677.db2.gz NRNWUPUXRGHCTI-NHCUHLMSSA-N 2 1 380.621 3.839 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001468032319 1067573550 /nfs/dbraw/zinc/57/35/50/1067573550.db2.gz LOCJTBVJJOQHFB-LPHOPBHVSA-N 2 1 392.975 3.649 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122405 1067738205 /nfs/dbraw/zinc/73/82/05/1067738205.db2.gz DQVQYHYKXVUZHY-XQUALCHDSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122405 1067738214 /nfs/dbraw/zinc/73/82/14/1067738214.db2.gz DQVQYHYKXVUZHY-XQUALCHDSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122405 1067738218 /nfs/dbraw/zinc/73/82/18/1067738218.db2.gz DQVQYHYKXVUZHY-XQUALCHDSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122405 1067738225 /nfs/dbraw/zinc/73/82/25/1067738225.db2.gz DQVQYHYKXVUZHY-XQUALCHDSA-N 2 1 396.575 3.762 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)CC1 ZINC001468797904 1067887919 /nfs/dbraw/zinc/88/79/19/1067887919.db2.gz YWMZRAGKQWDJHS-UFYCRDLUSA-N 2 1 386.584 3.554 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001469386067 1068137026 /nfs/dbraw/zinc/13/70/26/1068137026.db2.gz WNSBQGZDQRHBHK-FGZHOGPDSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001469386067 1068137029 /nfs/dbraw/zinc/13/70/29/1068137029.db2.gz WNSBQGZDQRHBHK-FGZHOGPDSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001469386067 1068137030 /nfs/dbraw/zinc/13/70/30/1068137030.db2.gz WNSBQGZDQRHBHK-FGZHOGPDSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C[NH+]1Cc1ccccc1 ZINC001469433251 1068161089 /nfs/dbraw/zinc/16/10/89/1068161089.db2.gz XSWPGQLERLOUFA-PNJWGLBASA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C[N@@H+]1Cc1ccccc1 ZINC001469433251 1068161092 /nfs/dbraw/zinc/16/10/92/1068161092.db2.gz XSWPGQLERLOUFA-PNJWGLBASA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C[N@H+]1Cc1ccccc1 ZINC001469433251 1068161097 /nfs/dbraw/zinc/16/10/97/1068161097.db2.gz XSWPGQLERLOUFA-PNJWGLBASA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001469570445 1068231025 /nfs/dbraw/zinc/23/10/25/1068231025.db2.gz VMAATFIHUMSCCU-IEIRFRATSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001469570445 1068231033 /nfs/dbraw/zinc/23/10/33/1068231033.db2.gz VMAATFIHUMSCCU-IEIRFRATSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001469570445 1068231042 /nfs/dbraw/zinc/23/10/42/1068231042.db2.gz VMAATFIHUMSCCU-IEIRFRATSA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001469706618 1068325489 /nfs/dbraw/zinc/32/54/89/1068325489.db2.gz JEIXGTMFSDFWEP-IRLDBZIGSA-N 2 1 388.600 3.516 20 0 GHADMP CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001469706452 1068326373 /nfs/dbraw/zinc/32/63/73/1068326373.db2.gz CPKJWHISFOMLRC-RCZSKKKRSA-N 2 1 388.600 3.517 20 0 GHADMP CC(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001469706452 1068326387 /nfs/dbraw/zinc/32/63/87/1068326387.db2.gz CPKJWHISFOMLRC-RCZSKKKRSA-N 2 1 388.600 3.517 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001470013101 1068522312 /nfs/dbraw/zinc/52/23/12/1068522312.db2.gz SDMGOVGOKLCWOL-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001470364681 1068702998 /nfs/dbraw/zinc/70/29/98/1068702998.db2.gz VQOBYFBSYOOGIG-WOJBJXKFSA-N 2 1 380.621 3.793 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001470364681 1068703008 /nfs/dbraw/zinc/70/30/08/1068703008.db2.gz VQOBYFBSYOOGIG-WOJBJXKFSA-N 2 1 380.621 3.793 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001470364681 1068703017 /nfs/dbraw/zinc/70/30/17/1068703017.db2.gz VQOBYFBSYOOGIG-WOJBJXKFSA-N 2 1 380.621 3.793 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187810 1068846518 /nfs/dbraw/zinc/84/65/18/1068846518.db2.gz TVTPYHVTRPADCG-QXAKKESOSA-N 2 1 381.358 3.679 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187810 1068846528 /nfs/dbraw/zinc/84/65/28/1068846528.db2.gz TVTPYHVTRPADCG-QXAKKESOSA-N 2 1 381.358 3.679 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187810 1068846541 /nfs/dbraw/zinc/84/65/41/1068846541.db2.gz TVTPYHVTRPADCG-QXAKKESOSA-N 2 1 381.358 3.679 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001460607253 1069024686 /nfs/dbraw/zinc/02/46/86/1069024686.db2.gz QFPRFLBBEYLZQK-YUTCNCBUSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001460607253 1069024703 /nfs/dbraw/zinc/02/47/03/1069024703.db2.gz QFPRFLBBEYLZQK-YUTCNCBUSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001460607253 1069024718 /nfs/dbraw/zinc/02/47/18/1069024718.db2.gz QFPRFLBBEYLZQK-YUTCNCBUSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001460607253 1069024734 /nfs/dbraw/zinc/02/47/34/1069024734.db2.gz QFPRFLBBEYLZQK-YUTCNCBUSA-N 2 1 381.307 3.988 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001478538370 1078909541 /nfs/dbraw/zinc/90/95/41/1078909541.db2.gz PRNKXVQMRVULAG-NRFANRHFSA-N 2 1 378.605 3.691 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001470407166 1072533809 /nfs/dbraw/zinc/53/38/09/1072533809.db2.gz RONHZVGPKQHXOQ-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001470407166 1072533815 /nfs/dbraw/zinc/53/38/15/1072533815.db2.gz RONHZVGPKQHXOQ-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001470407166 1072533824 /nfs/dbraw/zinc/53/38/24/1072533824.db2.gz RONHZVGPKQHXOQ-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001470407166 1072533828 /nfs/dbraw/zinc/53/38/28/1072533828.db2.gz RONHZVGPKQHXOQ-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001470407166 1072533838 /nfs/dbraw/zinc/53/38/38/1072533838.db2.gz RONHZVGPKQHXOQ-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CCC1 ZINC001478657418 1078948120 /nfs/dbraw/zinc/94/81/20/1078948120.db2.gz OGUOQRJJNZRLHY-OAQYLSRUSA-N 2 1 398.595 3.747 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCC1 ZINC001478657418 1078948123 /nfs/dbraw/zinc/94/81/23/1078948123.db2.gz OGUOQRJJNZRLHY-OAQYLSRUSA-N 2 1 398.595 3.747 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC001478657418 1078948128 /nfs/dbraw/zinc/94/81/28/1078948128.db2.gz OGUOQRJJNZRLHY-OAQYLSRUSA-N 2 1 398.595 3.747 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001470830745 1072760932 /nfs/dbraw/zinc/76/09/32/1072760932.db2.gz JFQBJRIOYYMVSZ-GOTSBHOMSA-N 2 1 377.532 3.523 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001470830745 1072760945 /nfs/dbraw/zinc/76/09/45/1072760945.db2.gz JFQBJRIOYYMVSZ-GOTSBHOMSA-N 2 1 377.532 3.523 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC001471044546 1072901824 /nfs/dbraw/zinc/90/18/24/1072901824.db2.gz FTNVFCQMOQIGNE-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC001471044546 1072901827 /nfs/dbraw/zinc/90/18/27/1072901827.db2.gz FTNVFCQMOQIGNE-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC001471044546 1072901829 /nfs/dbraw/zinc/90/18/29/1072901829.db2.gz FTNVFCQMOQIGNE-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCCCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001471047708 1072903766 /nfs/dbraw/zinc/90/37/66/1072903766.db2.gz WDSKIWPTTLPEQG-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001471047708 1072903772 /nfs/dbraw/zinc/90/37/72/1072903772.db2.gz WDSKIWPTTLPEQG-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCCCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001471047708 1072903773 /nfs/dbraw/zinc/90/37/73/1072903773.db2.gz WDSKIWPTTLPEQG-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1cc(C)ccc1C ZINC001471081698 1072914759 /nfs/dbraw/zinc/91/47/59/1072914759.db2.gz WZYUTIWRPQIJMB-IRLDBZIGSA-N 2 1 388.600 3.812 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC001478927583 1079029161 /nfs/dbraw/zinc/02/91/61/1079029161.db2.gz FVZRBSZGOPINBE-OAQYLSRUSA-N 2 1 378.605 3.691 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC001471735541 1073201785 /nfs/dbraw/zinc/20/17/85/1073201785.db2.gz PBTYXWRIKMCKMT-LJQANCHMSA-N 2 1 377.960 3.810 20 0 GHADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1 ZINC001479219637 1079158151 /nfs/dbraw/zinc/15/81/51/1079158151.db2.gz JNLGYHJYRPSYDE-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001479219637 1079158153 /nfs/dbraw/zinc/15/81/53/1079158153.db2.gz JNLGYHJYRPSYDE-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001479219637 1079158154 /nfs/dbraw/zinc/15/81/54/1079158154.db2.gz JNLGYHJYRPSYDE-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CC(=O)NC[C@@H]1CCC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130051 1073796077 /nfs/dbraw/zinc/79/60/77/1073796077.db2.gz LOSORRPKQXEGRC-ZCYQVOJMSA-N 2 1 393.575 3.750 20 0 GHADMP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130051 1073796080 /nfs/dbraw/zinc/79/60/80/1073796080.db2.gz LOSORRPKQXEGRC-ZCYQVOJMSA-N 2 1 393.575 3.750 20 0 GHADMP CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130051 1073796084 /nfs/dbraw/zinc/79/60/84/1073796084.db2.gz LOSORRPKQXEGRC-ZCYQVOJMSA-N 2 1 393.575 3.750 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC001473231721 1073876938 /nfs/dbraw/zinc/87/69/38/1073876938.db2.gz RGRLVXYTBRBLNB-DNQXCXABSA-N 2 1 391.559 3.948 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC(C)C)CC1 ZINC001473252517 1073890238 /nfs/dbraw/zinc/89/02/38/1073890238.db2.gz NUXDDAGYJLCMEM-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCC[C@@H]2CC(C)C)CC1 ZINC001473252517 1073890248 /nfs/dbraw/zinc/89/02/48/1073890248.db2.gz NUXDDAGYJLCMEM-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC[C@@H]2CC(C)C)CC1 ZINC001473252517 1073890255 /nfs/dbraw/zinc/89/02/55/1073890255.db2.gz NUXDDAGYJLCMEM-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC001473300605 1073911673 /nfs/dbraw/zinc/91/16/73/1073911673.db2.gz VXXJHWYAYGCBEF-NRFANRHFSA-N 2 1 379.548 3.689 20 0 GHADMP CS[C@@H]1CN(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C[C@@H]1[NH+](C)C ZINC001473351344 1073931706 /nfs/dbraw/zinc/93/17/06/1073931706.db2.gz IWHMUJONRLCAGT-TZRRMPRUSA-N 2 1 397.632 3.880 20 0 GHADMP CC[N@@H+](CC(=O)N(CC(C)C)CC(F)(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC001473691669 1074089511 /nfs/dbraw/zinc/08/95/11/1074089511.db2.gz YQEMGVQRMRBKNM-UHFFFAOYSA-N 2 1 387.490 3.617 20 0 GHADMP COc1cccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)c1 ZINC001473739005 1074117075 /nfs/dbraw/zinc/11/70/75/1074117075.db2.gz NDTMFTAMTSCQLX-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)c1 ZINC001473739005 1074117078 /nfs/dbraw/zinc/11/70/78/1074117078.db2.gz NDTMFTAMTSCQLX-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC001473935856 1074210809 /nfs/dbraw/zinc/21/08/09/1074210809.db2.gz GADAPTNHWBBHFR-RCZVLFRGSA-N 2 1 399.623 3.899 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC001473938970 1074212170 /nfs/dbraw/zinc/21/21/70/1074212170.db2.gz HLRPJPYNIKPXMV-UHFFFAOYSA-N 2 1 395.591 3.767 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001473957178 1074217663 /nfs/dbraw/zinc/21/76/63/1074217663.db2.gz MCGASIFUTMWJFI-LJQANCHMSA-N 2 1 387.568 3.801 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC001473958034 1074218012 /nfs/dbraw/zinc/21/80/12/1074218012.db2.gz ZWEZBIPGKQJMPE-SFHVURJKSA-N 2 1 393.019 3.692 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001474027868 1074241243 /nfs/dbraw/zinc/24/12/43/1074241243.db2.gz JUGFYNNJVFEFFY-ROUUACIJSA-N 2 1 399.373 3.827 20 0 GHADMP COc1cccc(Sc2ccccc2C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC001474125332 1074269995 /nfs/dbraw/zinc/26/99/95/1074269995.db2.gz HLLNZVZLAFVLMT-UHFFFAOYSA-N 2 1 399.604 3.962 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001474131149 1074271065 /nfs/dbraw/zinc/27/10/65/1074271065.db2.gz FNXCNIZNPXZHJU-XMMPIXPASA-N 2 1 395.547 3.613 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001474131149 1074271069 /nfs/dbraw/zinc/27/10/69/1074271069.db2.gz FNXCNIZNPXZHJU-XMMPIXPASA-N 2 1 395.547 3.613 20 0 GHADMP c1c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]nc1-c1ccccn1 ZINC001474169136 1074282565 /nfs/dbraw/zinc/28/25/65/1074282565.db2.gz WXMJBPPKLYMGCO-FQEVSTJZSA-N 2 1 375.520 3.864 20 0 GHADMP c1c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]nc1-c1ccccn1 ZINC001474169136 1074282569 /nfs/dbraw/zinc/28/25/69/1074282569.db2.gz WXMJBPPKLYMGCO-FQEVSTJZSA-N 2 1 375.520 3.864 20 0 GHADMP CC(=O)Nc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)cc1 ZINC001474300712 1074330702 /nfs/dbraw/zinc/33/07/02/1074330702.db2.gz QJIGZNGRTNQXRH-UHFFFAOYSA-N 2 1 389.503 3.557 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Br)cc1F ZINC001474347002 1074355982 /nfs/dbraw/zinc/35/59/82/1074355982.db2.gz JZEOUAMTETZFRG-UHFFFAOYSA-N 2 1 399.348 3.973 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001474374391 1074371154 /nfs/dbraw/zinc/37/11/54/1074371154.db2.gz QFZFXZOPRNKZPV-LJQANCHMSA-N 2 1 388.600 3.791 20 0 GHADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001474501252 1074434886 /nfs/dbraw/zinc/43/48/86/1074434886.db2.gz SPQATENCIXWDMX-UHFFFAOYSA-N 2 1 387.568 3.843 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505145 1074436339 /nfs/dbraw/zinc/43/63/39/1074436339.db2.gz PTCMVTKFXNVHFJ-JPSKQPRPSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505145 1074436341 /nfs/dbraw/zinc/43/63/41/1074436341.db2.gz PTCMVTKFXNVHFJ-JPSKQPRPSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505145 1074436342 /nfs/dbraw/zinc/43/63/42/1074436342.db2.gz PTCMVTKFXNVHFJ-JPSKQPRPSA-N 2 1 377.573 3.581 20 0 GHADMP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)[NH+](C)C ZINC001496633602 1079476675 /nfs/dbraw/zinc/47/66/75/1079476675.db2.gz YLNSKIBRZSPUFP-NSHGMRRFSA-N 2 1 392.636 3.687 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821088720 606089349 /nfs/dbraw/zinc/08/93/49/606089349.db2.gz UAAWXHAHNKZCOB-LJQANCHMSA-N 2 1 390.535 3.697 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821088720 606089354 /nfs/dbraw/zinc/08/93/54/606089354.db2.gz UAAWXHAHNKZCOB-LJQANCHMSA-N 2 1 390.535 3.697 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821088720 606089358 /nfs/dbraw/zinc/08/93/58/606089358.db2.gz UAAWXHAHNKZCOB-LJQANCHMSA-N 2 1 390.535 3.697 20 0 GHADMP Cc1cc2c(nc[nH+]c2N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164841037 720678551 /nfs/dbraw/zinc/67/85/51/720678551.db2.gz HDFDZQKNDDGSCK-LJQANCHMSA-N 2 1 391.519 3.526 20 0 GHADMP Cc1cc2c(nc[nH+]c2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164841037 720678563 /nfs/dbraw/zinc/67/85/63/720678563.db2.gz HDFDZQKNDDGSCK-LJQANCHMSA-N 2 1 391.519 3.526 20 0 GHADMP Cc1cc2c(nc[nH+]c2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH]1 ZINC001164792871 721493529 /nfs/dbraw/zinc/49/35/29/721493529.db2.gz UIMCPMXLWVJTCV-UHFFFAOYSA-N 2 1 376.508 3.542 20 0 GHADMP Cc1cc2c(nc[nH+]c2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH]1 ZINC001164792871 721493531 /nfs/dbraw/zinc/49/35/31/721493531.db2.gz UIMCPMXLWVJTCV-UHFFFAOYSA-N 2 1 376.508 3.542 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000685922501 837447991 /nfs/dbraw/zinc/44/79/91/837447991.db2.gz XBTDLWNWJCTBMK-MSOLQXFVSA-N 2 1 380.602 3.549 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OCc1ccncc1 ZINC000647542757 837451615 /nfs/dbraw/zinc/45/16/15/837451615.db2.gz BMYCGYVHKVVMBA-FCHUYYIVSA-N 2 1 395.547 3.881 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000431777721 837454013 /nfs/dbraw/zinc/45/40/13/837454013.db2.gz BUVYTQMIBHMTSX-GHTZIAJQSA-N 2 1 385.577 3.769 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431780518 837469588 /nfs/dbraw/zinc/46/95/88/837469588.db2.gz FSXRRMNKPKBXAO-LJQANCHMSA-N 2 1 375.582 3.747 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000646913470 837473881 /nfs/dbraw/zinc/47/38/81/837473881.db2.gz HAPUFKITHNAKDS-UHFFFAOYSA-N 2 1 384.568 3.596 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000646913470 837473889 /nfs/dbraw/zinc/47/38/89/837473889.db2.gz HAPUFKITHNAKDS-UHFFFAOYSA-N 2 1 384.568 3.596 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414108960 837570478 /nfs/dbraw/zinc/57/04/78/837570478.db2.gz GTXJKPTUUKHBPK-NLWGTHIKSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000655690148 837680406 /nfs/dbraw/zinc/68/04/06/837680406.db2.gz XKXQTYBZJAYFFL-YKSBVNFPSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690148 837680411 /nfs/dbraw/zinc/68/04/11/837680411.db2.gz XKXQTYBZJAYFFL-YKSBVNFPSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690148 837680414 /nfs/dbraw/zinc/68/04/14/837680414.db2.gz XKXQTYBZJAYFFL-YKSBVNFPSA-N 3 1 385.596 3.794 20 0 GHADMP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000655704475 837692204 /nfs/dbraw/zinc/69/22/04/837692204.db2.gz ZFHZWFCTJANAAW-XMMPIXPASA-N 3 1 385.596 3.796 20 0 GHADMP c1cc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000655704475 837692211 /nfs/dbraw/zinc/69/22/11/837692211.db2.gz ZFHZWFCTJANAAW-XMMPIXPASA-N 2 1 385.596 3.796 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655705040 837695043 /nfs/dbraw/zinc/69/50/43/837695043.db2.gz URQMIHOMUARYDX-IBGZPJMESA-N 2 1 395.385 3.960 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000655714389 837708011 /nfs/dbraw/zinc/70/80/11/837708011.db2.gz CCDBDVLMTSGNNJ-HNNXBMFYSA-N 2 1 389.341 3.517 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000655714389 837708020 /nfs/dbraw/zinc/70/80/20/837708020.db2.gz CCDBDVLMTSGNNJ-HNNXBMFYSA-N 2 1 389.341 3.517 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000151000942 834444496 /nfs/dbraw/zinc/44/44/96/834444496.db2.gz AXUHDJYGXOGPJP-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1 ZINC000583495111 834501186 /nfs/dbraw/zinc/50/11/86/834501186.db2.gz QHEZCBQCCTXRIT-UXHICEINSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1 ZINC000583495111 834501190 /nfs/dbraw/zinc/50/11/90/834501190.db2.gz QHEZCBQCCTXRIT-UXHICEINSA-N 2 1 388.577 3.606 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000650705401 834521835 /nfs/dbraw/zinc/52/18/35/834521835.db2.gz GFHQEWXAKZLUEB-CQOQZXRMSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc12 ZINC000583532996 834587143 /nfs/dbraw/zinc/58/71/43/834587143.db2.gz ZUDVIOGFBZKKDN-WCRBZPEASA-N 2 1 379.548 3.591 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000654864477 834686492 /nfs/dbraw/zinc/68/64/92/834686492.db2.gz AOROITMCSYHJMM-GCJKJVERSA-N 2 1 388.515 3.880 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000654864477 834686498 /nfs/dbraw/zinc/68/64/98/834686498.db2.gz AOROITMCSYHJMM-GCJKJVERSA-N 2 1 388.515 3.880 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000650722538 834689991 /nfs/dbraw/zinc/68/99/91/834689991.db2.gz WCGQESCSWQWGCB-YMPZKCBVSA-N 2 1 381.520 3.521 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000728570433 834746023 /nfs/dbraw/zinc/74/60/23/834746023.db2.gz KSSPKKHQBJFCOM-QHCPKHFHSA-N 2 1 398.547 3.581 20 0 GHADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000583638777 834796137 /nfs/dbraw/zinc/79/61/37/834796137.db2.gz JFKYYUVYJSBDQG-UHFFFAOYSA-N 2 1 388.474 3.689 20 0 GHADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657876891 834880776 /nfs/dbraw/zinc/88/07/76/834880776.db2.gz PGSQUUQWTRXOGH-GOSISDBHSA-N 2 1 399.501 3.559 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685446539 835019599 /nfs/dbraw/zinc/01/95/99/835019599.db2.gz VNFZXKSMJJYFNX-OAQYLSRUSA-N 2 1 384.520 3.679 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000583787528 835033879 /nfs/dbraw/zinc/03/38/79/835033879.db2.gz KDWKVXMQIHURJH-DOTOQJQBSA-N 2 1 375.607 3.938 20 0 GHADMP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cn2cc[nH+]c12 ZINC000583795980 835054175 /nfs/dbraw/zinc/05/41/75/835054175.db2.gz TXBRZCBYEDZJCZ-GOSISDBHSA-N 2 1 377.492 3.771 20 0 GHADMP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cn2cc[nH+]c12 ZINC000583795980 835054186 /nfs/dbraw/zinc/05/41/86/835054186.db2.gz TXBRZCBYEDZJCZ-GOSISDBHSA-N 2 1 377.492 3.771 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779674 835130533 /nfs/dbraw/zinc/13/05/33/835130533.db2.gz MOXZCHPFSUEGBI-WOJBJXKFSA-N 2 1 395.551 3.716 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779674 835130540 /nfs/dbraw/zinc/13/05/40/835130540.db2.gz MOXZCHPFSUEGBI-WOJBJXKFSA-N 2 1 395.551 3.716 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779674 835130544 /nfs/dbraw/zinc/13/05/44/835130544.db2.gz MOXZCHPFSUEGBI-WOJBJXKFSA-N 2 1 395.551 3.716 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779674 835130549 /nfs/dbraw/zinc/13/05/49/835130549.db2.gz MOXZCHPFSUEGBI-WOJBJXKFSA-N 2 1 395.551 3.716 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1-c1noc(Cn2c[nH+]c3c2CCCC3)n1 ZINC000685229430 835227092 /nfs/dbraw/zinc/22/70/92/835227092.db2.gz CMFCWJGRKOLELQ-UHFFFAOYSA-N 2 1 395.507 3.581 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472351729 835328306 /nfs/dbraw/zinc/32/83/06/835328306.db2.gz XPNIRULXBCGVMY-XUZZJYLKSA-N 3 1 389.547 3.748 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472351729 835328313 /nfs/dbraw/zinc/32/83/13/835328313.db2.gz XPNIRULXBCGVMY-XUZZJYLKSA-N 2 1 389.547 3.748 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472351729 835328320 /nfs/dbraw/zinc/32/83/20/835328320.db2.gz XPNIRULXBCGVMY-XUZZJYLKSA-N 2 1 389.547 3.748 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309757445 835351892 /nfs/dbraw/zinc/35/18/92/835351892.db2.gz XGUQPVUXTNQFLK-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1F ZINC000658137748 835462768 /nfs/dbraw/zinc/46/27/68/835462768.db2.gz LOYNPVQDXVXGTR-FXAWDEMLSA-N 2 1 392.902 3.523 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1F ZINC000658137748 835462775 /nfs/dbraw/zinc/46/27/75/835462775.db2.gz LOYNPVQDXVXGTR-FXAWDEMLSA-N 2 1 392.902 3.523 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCc4c5ccccc5[nH]c43)cc2)C1 ZINC000658139753 835465777 /nfs/dbraw/zinc/46/57/77/835465777.db2.gz RYFZPUCXEUUGOI-CVDCTZTESA-N 2 1 375.516 3.902 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140489 835467451 /nfs/dbraw/zinc/46/74/51/835467451.db2.gz UQYHGDCTKDNASA-SIKLNZKXSA-N 2 1 395.503 3.587 20 0 GHADMP Cc1cccc(NC2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001167685365 835576543 /nfs/dbraw/zinc/57/65/43/835576543.db2.gz JJEHIXRRDCDEOS-XMMPIXPASA-N 2 1 379.548 3.508 20 0 GHADMP Cc1cccc(NC2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001167685365 835576548 /nfs/dbraw/zinc/57/65/48/835576548.db2.gz JJEHIXRRDCDEOS-XMMPIXPASA-N 2 1 379.548 3.508 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000179485393 835583506 /nfs/dbraw/zinc/58/35/06/835583506.db2.gz ZQRWXXLGEXYGLQ-FQEVSTJZSA-N 2 1 394.991 3.706 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cc2cnccc2o1 ZINC000657833022 835740759 /nfs/dbraw/zinc/74/07/59/835740759.db2.gz CGQXQAXZASKGOE-RXVVDRJESA-N 2 1 378.520 3.857 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000274876834 835755352 /nfs/dbraw/zinc/75/53/52/835755352.db2.gz YTZBYTORTVMNAC-UGKGYDQZSA-N 2 1 385.596 3.771 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278673366 835760546 /nfs/dbraw/zinc/76/05/46/835760546.db2.gz UCUXIXXZIQABME-RTBURBONSA-N 2 1 375.557 3.618 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278673366 835760555 /nfs/dbraw/zinc/76/05/55/835760555.db2.gz UCUXIXXZIQABME-RTBURBONSA-N 2 1 375.557 3.618 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000584219816 835779247 /nfs/dbraw/zinc/77/92/47/835779247.db2.gz JUFCCWPJWILGAB-HXUWFJFHSA-N 2 1 394.401 3.834 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000109359098 835850293 /nfs/dbraw/zinc/85/02/93/835850293.db2.gz RWJWEFCUYMVPLS-UHFFFAOYSA-N 2 1 392.478 3.846 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000154861210 836082576 /nfs/dbraw/zinc/08/25/76/836082576.db2.gz WZYXJQZKHQDUBG-QGZVFWFLSA-N 2 1 389.565 3.749 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481423 844131306 /nfs/dbraw/zinc/13/13/06/844131306.db2.gz FATUSADZLLHWGV-DFQSSKMNSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481423 844131314 /nfs/dbraw/zinc/13/13/14/844131314.db2.gz FATUSADZLLHWGV-DFQSSKMNSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H](NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375788 836231386 /nfs/dbraw/zinc/23/13/86/836231386.db2.gz DHFAHCIDUBXFIR-WPYKKVEZSA-N 2 1 383.580 3.635 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000180641312 836234833 /nfs/dbraw/zinc/23/48/33/836234833.db2.gz VETROZUYYWFJQB-YWZLYKJASA-N 2 1 389.337 3.867 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000613377712 836236710 /nfs/dbraw/zinc/23/67/10/836236710.db2.gz PTGSIYVEEYLWCK-WWNPGLIZSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613377712 836236725 /nfs/dbraw/zinc/23/67/25/836236725.db2.gz PTGSIYVEEYLWCK-WWNPGLIZSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613377712 836236731 /nfs/dbraw/zinc/23/67/31/836236731.db2.gz PTGSIYVEEYLWCK-WWNPGLIZSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000509897725 844149263 /nfs/dbraw/zinc/14/92/63/844149263.db2.gz HGYYPTJWFSCYRE-QGZVFWFLSA-N 2 1 379.504 3.796 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)sc2C1 ZINC000613433731 836389381 /nfs/dbraw/zinc/38/93/81/836389381.db2.gz BXRIHVYWLJJMNJ-GOSISDBHSA-N 2 1 398.576 3.728 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)sc2C1 ZINC000613433731 836389391 /nfs/dbraw/zinc/38/93/91/836389391.db2.gz BXRIHVYWLJJMNJ-GOSISDBHSA-N 2 1 398.576 3.728 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c(F)c1 ZINC000413921975 836784049 /nfs/dbraw/zinc/78/40/49/836784049.db2.gz YYDDNBAQHRGYKP-HXUWFJFHSA-N 2 1 377.504 3.502 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414287253 836908519 /nfs/dbraw/zinc/90/85/19/836908519.db2.gz ODCSIUJABUYZPH-INIZCTEOSA-N 2 1 392.590 3.673 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414287253 836908527 /nfs/dbraw/zinc/90/85/27/836908527.db2.gz ODCSIUJABUYZPH-INIZCTEOSA-N 2 1 392.590 3.673 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000511402588 837036250 /nfs/dbraw/zinc/03/62/50/837036250.db2.gz VKVXZCOIUWTHSH-ZCNNSNEGSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000511402588 837036259 /nfs/dbraw/zinc/03/62/59/837036259.db2.gz VKVXZCOIUWTHSH-ZCNNSNEGSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000511402588 837036268 /nfs/dbraw/zinc/03/62/68/837036268.db2.gz VKVXZCOIUWTHSH-ZCNNSNEGSA-N 2 1 392.632 3.839 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000162053309 837107001 /nfs/dbraw/zinc/10/70/01/837107001.db2.gz BOEBEWVOHHGXIQ-QHCPKHFHSA-N 3 1 378.649 3.525 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000659018128 837262461 /nfs/dbraw/zinc/26/24/61/837262461.db2.gz DZQNUQXMQBFVSP-NRFANRHFSA-N 2 1 392.547 3.830 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414347290 837275156 /nfs/dbraw/zinc/27/51/56/837275156.db2.gz HIBYOZVJNNDQEU-GQIGUUNPSA-N 2 1 394.401 3.732 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000471337707 837289704 /nfs/dbraw/zinc/28/97/04/837289704.db2.gz USBDZYXJHBGDGU-YKSBVNFPSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471337707 837289717 /nfs/dbraw/zinc/28/97/17/837289717.db2.gz USBDZYXJHBGDGU-YKSBVNFPSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471337707 837289724 /nfs/dbraw/zinc/28/97/24/837289724.db2.gz USBDZYXJHBGDGU-YKSBVNFPSA-N 2 1 391.559 3.604 20 0 GHADMP Brc1ccc(/C=C/C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655772773 837845091 /nfs/dbraw/zinc/84/50/91/837845091.db2.gz MMUZSOHMXXPQFT-VUQTYRPGSA-N 2 1 379.342 3.695 20 0 GHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579949484 837959653 /nfs/dbraw/zinc/95/96/53/837959653.db2.gz QENQIRCMSAJFLR-WOJBJXKFSA-N 2 1 397.567 3.601 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000415907345 838260295 /nfs/dbraw/zinc/26/02/95/838260295.db2.gz BGYCDSUXNOTKAP-UHFFFAOYSA-N 2 1 392.547 3.926 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000415918674 838278356 /nfs/dbraw/zinc/27/83/56/838278356.db2.gz LOBCFQCIGVQCAW-UHFFFAOYSA-N 2 1 380.536 3.578 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000415930787 838279989 /nfs/dbraw/zinc/27/99/89/838279989.db2.gz JOPWKDPNRWVTNQ-LJQANCHMSA-N 2 1 380.536 3.782 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000415933469 838282143 /nfs/dbraw/zinc/28/21/43/838282143.db2.gz PLOWSHSEQPLRGX-OAQYLSRUSA-N 2 1 380.536 3.828 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000415937622 838291337 /nfs/dbraw/zinc/29/13/37/838291337.db2.gz YLICCDIHNJRPPG-JOCHJYFZSA-N 2 1 380.536 3.828 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690751 838312895 /nfs/dbraw/zinc/31/28/95/838312895.db2.gz OMKIKFIIVLMNFZ-XQUALCHDSA-N 2 1 394.559 3.828 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000415954677 838316114 /nfs/dbraw/zinc/31/61/14/838316114.db2.gz MIMHFQRUFIVCLO-UHFFFAOYSA-N 2 1 380.536 3.755 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000415974061 838332522 /nfs/dbraw/zinc/33/25/22/838332522.db2.gz RBVZMXKJNWHVAO-KRWDZBQOSA-N 2 1 392.425 3.560 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166472000 838349974 /nfs/dbraw/zinc/34/99/74/838349974.db2.gz NJCMPSKXJVJXLV-WJFJTQNHSA-N 2 1 398.595 3.856 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166472000 838349983 /nfs/dbraw/zinc/34/99/83/838349983.db2.gz NJCMPSKXJVJXLV-WJFJTQNHSA-N 2 1 398.595 3.856 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000430469367 838382870 /nfs/dbraw/zinc/38/28/70/838382870.db2.gz CSAIPSISNODIHF-UHFFFAOYSA-N 2 1 395.551 3.695 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405471 838692190 /nfs/dbraw/zinc/69/21/90/838692190.db2.gz SPHZRSZJQYKFCX-UTKZUKDTSA-N 2 1 375.532 3.540 20 0 GHADMP Cc1ccc2ncnc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000431836699 838741801 /nfs/dbraw/zinc/74/18/01/838741801.db2.gz ZJOCOPDGLMOPGE-UHFFFAOYSA-N 2 1 381.568 3.571 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000118879834 838753572 /nfs/dbraw/zinc/75/35/72/838753572.db2.gz VQYXKXJFWFKDSW-BEFAXECRSA-N 2 1 397.485 3.689 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC[C@H]4CCC[NH+]4C4CCCCC4)cc3c2C1 ZINC000614377499 844365847 /nfs/dbraw/zinc/36/58/47/844365847.db2.gz PEUBBRSQTYMCEY-LJQANCHMSA-N 2 1 394.563 3.683 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC[C@H]4CCC[NH+]4C4CCCCC4)cc3c2C1 ZINC000614377499 844365860 /nfs/dbraw/zinc/36/58/60/844365860.db2.gz PEUBBRSQTYMCEY-LJQANCHMSA-N 2 1 394.563 3.683 20 0 GHADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@H]4CCC[N@@H+]4C4CCCCC4)cc3c2C1 ZINC000614377499 844365873 /nfs/dbraw/zinc/36/58/73/844365873.db2.gz PEUBBRSQTYMCEY-LJQANCHMSA-N 2 1 394.563 3.683 20 0 GHADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@H]4CCC[N@H+]4C4CCCCC4)cc3c2C1 ZINC000614377499 844365885 /nfs/dbraw/zinc/36/58/85/844365885.db2.gz PEUBBRSQTYMCEY-LJQANCHMSA-N 2 1 394.563 3.683 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000548064296 838903978 /nfs/dbraw/zinc/90/39/78/838903978.db2.gz OGBRZMYOQGHHSW-DYESRHJHSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000548064296 838903987 /nfs/dbraw/zinc/90/39/87/838903987.db2.gz OGBRZMYOQGHHSW-DYESRHJHSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000548064296 838904002 /nfs/dbraw/zinc/90/40/02/838904002.db2.gz OGBRZMYOQGHHSW-DYESRHJHSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000580122935 838909227 /nfs/dbraw/zinc/90/92/27/838909227.db2.gz UQTDILMCEQXNOW-FXAWDEMLSA-N 2 1 399.501 3.936 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415052340 839121435 /nfs/dbraw/zinc/12/14/35/839121435.db2.gz KRKPHOFVZKBEIR-UHFFFAOYSA-N 2 1 393.575 3.977 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415102576 839208223 /nfs/dbraw/zinc/20/82/23/839208223.db2.gz CMMGGFGCUXRCSR-FXAWDEMLSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415102576 839208235 /nfs/dbraw/zinc/20/82/35/839208235.db2.gz CMMGGFGCUXRCSR-FXAWDEMLSA-N 2 1 384.520 3.700 20 0 GHADMP COC(=O)COc1c(C)cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000183101792 839225018 /nfs/dbraw/zinc/22/50/18/839225018.db2.gz TWEVJSWQBKVSPL-UYAOXDASSA-N 2 1 388.552 3.598 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1)C[C@@H]1CCCCO1 ZINC000584529692 839551201 /nfs/dbraw/zinc/55/12/01/839551201.db2.gz UNIXCZNHPHYPTI-UEXGIBASSA-N 2 1 390.572 3.713 20 0 GHADMP C[N@H+]1CC[C@@H](NCc2ccnc(OC3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000580662180 839972401 /nfs/dbraw/zinc/97/24/01/839972401.db2.gz FWOAPKZKXXXDIT-IRLDBZIGSA-N 2 1 381.520 3.565 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000580670273 839985963 /nfs/dbraw/zinc/98/59/63/839985963.db2.gz VZTJZXHEMUZEJQ-NRFANRHFSA-N 2 1 388.600 3.580 20 0 GHADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180936852 844515879 /nfs/dbraw/zinc/51/58/79/844515879.db2.gz ZEAWODAFCPLKDC-OAHLLOKOSA-N 2 1 381.442 3.691 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759849980 840186814 /nfs/dbraw/zinc/18/68/14/840186814.db2.gz KNNSUQSVAVSQDC-HXUWFJFHSA-N 2 1 386.939 3.583 20 0 GHADMP COCCOCc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582094294 840252362 /nfs/dbraw/zinc/25/23/62/840252362.db2.gz DRWMRCCIJVXZDM-RPBOFIJWSA-N 2 1 394.559 3.804 20 0 GHADMP COCCOCc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582094294 840252374 /nfs/dbraw/zinc/25/23/74/840252374.db2.gz DRWMRCCIJVXZDM-RPBOFIJWSA-N 2 1 394.559 3.804 20 0 GHADMP COCCOCc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582094294 840252385 /nfs/dbraw/zinc/25/23/85/840252385.db2.gz DRWMRCCIJVXZDM-RPBOFIJWSA-N 2 1 394.559 3.804 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000418466378 840278154 /nfs/dbraw/zinc/27/81/54/840278154.db2.gz REIKWSAPEAWPTN-HXUWFJFHSA-N 2 1 394.563 3.556 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000416977380 840321404 /nfs/dbraw/zinc/32/14/04/840321404.db2.gz PLFJCOQLWBABPH-PTUXOGIPSA-N 2 1 398.595 3.592 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511661415 840360740 /nfs/dbraw/zinc/36/07/40/840360740.db2.gz DFSYQYVJGFCUFM-LEWJYISDSA-N 2 1 397.588 3.913 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000195185434 840423244 /nfs/dbraw/zinc/42/32/44/840423244.db2.gz JDCUAJXNBHWWJC-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000431926255 840516028 /nfs/dbraw/zinc/51/60/28/840516028.db2.gz VRKFYRKNUUOFHY-PMACEKPBSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417221518 840615781 /nfs/dbraw/zinc/61/57/81/840615781.db2.gz OWBDJSTZCGNVAA-WZONZLPQSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000417221518 840615785 /nfs/dbraw/zinc/61/57/85/840615785.db2.gz OWBDJSTZCGNVAA-WZONZLPQSA-N 2 1 392.547 3.974 20 0 GHADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000070870122 840813558 /nfs/dbraw/zinc/81/35/58/840813558.db2.gz SXXNIFAKJWZTJY-SFHVURJKSA-N 2 1 393.531 3.992 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000660541891 840839873 /nfs/dbraw/zinc/83/98/73/840839873.db2.gz YUXJHPVZUMMTIM-RCZVLFRGSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000660541891 840839881 /nfs/dbraw/zinc/83/98/81/840839881.db2.gz YUXJHPVZUMMTIM-RCZVLFRGSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000660541891 840839888 /nfs/dbraw/zinc/83/98/88/840839888.db2.gz YUXJHPVZUMMTIM-RCZVLFRGSA-N 2 1 397.607 3.869 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581208222 840851475 /nfs/dbraw/zinc/85/14/75/840851475.db2.gz KFFFKALONPOIBW-HKUYNNGSSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581208222 840851484 /nfs/dbraw/zinc/85/14/84/840851484.db2.gz KFFFKALONPOIBW-HKUYNNGSSA-N 2 1 385.939 3.713 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000584811759 840968077 /nfs/dbraw/zinc/96/80/77/840968077.db2.gz CIJDORPDKWARAM-KRWDZBQOSA-N 2 1 394.991 3.580 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660257815 841097417 /nfs/dbraw/zinc/09/74/17/841097417.db2.gz VNSHNBRTGXYMCJ-OAQYLSRUSA-N 2 1 398.595 3.594 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417827646 841208284 /nfs/dbraw/zinc/20/82/84/841208284.db2.gz DNQAUBAHMKOWLE-NFBKMPQASA-N 2 1 394.563 3.600 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417827649 841208466 /nfs/dbraw/zinc/20/84/66/841208466.db2.gz DNQAUBAHMKOWLE-REWPJTCUSA-N 2 1 394.563 3.600 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417834561 841217404 /nfs/dbraw/zinc/21/74/04/841217404.db2.gz KGKKLKVHYCXEOE-KNQAVFIVSA-N 2 1 386.584 3.590 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000417839245 841217954 /nfs/dbraw/zinc/21/79/54/841217954.db2.gz NNMCBSBGQOMXEF-NPPFBWRTSA-N 2 1 380.536 3.559 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSc3cccc(Cl)c3)CC2)CC1 ZINC000660834021 841221754 /nfs/dbraw/zinc/22/17/54/841221754.db2.gz KDMWLFXFVMXSNC-UHFFFAOYSA-N 2 1 382.017 3.924 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3C(=O)N(C)C)cc2)C1 ZINC000417862887 841228601 /nfs/dbraw/zinc/22/86/01/841228601.db2.gz DNZADEPGOTWHKE-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000417875424 841233493 /nfs/dbraw/zinc/23/34/93/841233493.db2.gz LLHSLEJYGVFJAI-BDTNDASRSA-N 2 1 386.584 3.577 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)o1 ZINC000042722476 841236149 /nfs/dbraw/zinc/23/61/49/841236149.db2.gz BDJIEOSQUFRFJY-UHFFFAOYSA-N 2 1 383.536 3.778 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000390315853 841262439 /nfs/dbraw/zinc/26/24/39/841262439.db2.gz WQGREIAJBBGMOI-CQSZACIVSA-N 2 1 383.330 3.574 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000390315853 841262449 /nfs/dbraw/zinc/26/24/49/841262449.db2.gz WQGREIAJBBGMOI-CQSZACIVSA-N 2 1 383.330 3.574 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417905750 841263953 /nfs/dbraw/zinc/26/39/53/841263953.db2.gz ANRJSZKFLLZSFD-AVRDEDQJSA-N 2 1 382.552 3.507 20 0 GHADMP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc2ccccc12 ZINC000177508880 861193702 /nfs/dbraw/zinc/19/37/02/861193702.db2.gz XKRLEZCHCSAKKN-QZTJIDSGSA-N 2 1 382.552 3.650 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)c1 ZINC000651699460 841393411 /nfs/dbraw/zinc/39/34/11/841393411.db2.gz VPWOVQSZTOOALV-SFHVURJKSA-N 2 1 389.902 3.548 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CCCNc2ccccn2)cs1)c1ccc(F)cc1 ZINC000177589365 861198937 /nfs/dbraw/zinc/19/89/37/861198937.db2.gz WXQOIHARLYTJPI-UHFFFAOYSA-N 2 1 399.495 3.954 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000660338893 841450562 /nfs/dbraw/zinc/45/05/62/841450562.db2.gz MOOSPVXSVYLDFA-AZUAARDMSA-N 2 1 392.613 3.552 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418085653 841488975 /nfs/dbraw/zinc/48/89/75/841488975.db2.gz YEYILWRJLDGWMG-OAQYLSRUSA-N 2 1 379.548 3.780 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418085653 841488980 /nfs/dbraw/zinc/48/89/80/841488980.db2.gz YEYILWRJLDGWMG-OAQYLSRUSA-N 2 1 379.548 3.780 20 0 GHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167465563 841493699 /nfs/dbraw/zinc/49/36/99/841493699.db2.gz XMZJWSKJXRUBNR-KJXAQDMKSA-N 2 1 379.548 3.592 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000544003402 841701433 /nfs/dbraw/zinc/70/14/33/841701433.db2.gz GLLQXIRNHMDHER-DAWZGUTISA-N 2 1 391.522 3.620 20 0 GHADMP CC1(C)C[C@H](NCC2([NH+]3CCCCC3)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000090185617 841718596 /nfs/dbraw/zinc/71/85/96/841718596.db2.gz YRRYWLPFXSKZTP-QFIPXVFZSA-N 2 1 385.596 3.664 20 0 GHADMP CC1(C)C[C@H](NCC2([NH+]3CCCCC3)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000090185617 841718598 /nfs/dbraw/zinc/71/85/98/841718598.db2.gz YRRYWLPFXSKZTP-QFIPXVFZSA-N 2 1 385.596 3.664 20 0 GHADMP CC1(C)C[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000090185619 841718780 /nfs/dbraw/zinc/71/87/80/841718780.db2.gz YRRYWLPFXSKZTP-JOCHJYFZSA-N 2 1 385.596 3.664 20 0 GHADMP CC1(C)C[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000090185619 841718787 /nfs/dbraw/zinc/71/87/87/841718787.db2.gz YRRYWLPFXSKZTP-JOCHJYFZSA-N 2 1 385.596 3.664 20 0 GHADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000418343378 841863375 /nfs/dbraw/zinc/86/33/75/841863375.db2.gz FXQOUSGUFISZJR-NRFANRHFSA-N 2 1 386.540 3.566 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000684359712 841886915 /nfs/dbraw/zinc/88/69/15/841886915.db2.gz HDADZDMRZCCOJX-HXUWFJFHSA-N 2 1 383.502 3.740 20 0 GHADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000430634093 841934120 /nfs/dbraw/zinc/93/41/20/841934120.db2.gz QVLVCQRXKFHKTC-LADGPHEKSA-N 2 1 377.532 3.510 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)CCO2)cc1 ZINC000581674452 841985986 /nfs/dbraw/zinc/98/59/86/841985986.db2.gz GKDRVBRIOJGYDV-FDDCHVKYSA-N 2 1 376.504 3.737 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001167826924 842063270 /nfs/dbraw/zinc/06/32/70/842063270.db2.gz ZKKWNOXHJXZUIK-REWPJTCUSA-N 2 1 386.584 3.549 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(OC)cccc3OC)CC2)cs1 ZINC000512004805 842099368 /nfs/dbraw/zinc/09/93/68/842099368.db2.gz FDXWAHYDUXEWHN-UHFFFAOYSA-N 2 1 389.565 3.725 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC001167828125 842104797 /nfs/dbraw/zinc/10/47/97/842104797.db2.gz WLUCJQAREOYMSI-UTKZUKDTSA-N 2 1 377.598 3.996 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000644849698 842121428 /nfs/dbraw/zinc/12/14/28/842121428.db2.gz SDVWTOSQKBZOLK-QFIPXVFZSA-N 2 1 377.532 3.956 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)o1 ZINC000585731070 842227567 /nfs/dbraw/zinc/22/75/67/842227567.db2.gz HAMYYCUMFSXIEZ-UHFFFAOYSA-N 2 1 397.563 3.902 20 0 GHADMP COc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000048563252 842282066 /nfs/dbraw/zinc/28/20/66/842282066.db2.gz LLUUOBFIMKAYNV-UHFFFAOYSA-N 2 1 384.524 3.833 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)C1 ZINC000652347313 842325769 /nfs/dbraw/zinc/32/57/69/842325769.db2.gz YGWWTBHGINOKNV-XJUOHMSHSA-N 2 1 393.531 3.657 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCOC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167839542 842340033 /nfs/dbraw/zinc/34/00/33/842340033.db2.gz ZOYGQWRKNZLMBG-LJQANCHMSA-N 2 1 399.620 3.845 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000652361915 842370048 /nfs/dbraw/zinc/37/00/48/842370048.db2.gz SJMFHFVPBIGEJJ-NSISKUIASA-N 2 1 375.900 3.856 20 0 GHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432414811 842420443 /nfs/dbraw/zinc/42/04/43/842420443.db2.gz MHBFYJYIFSTVSK-LSDHHAIUSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432414811 842420447 /nfs/dbraw/zinc/42/04/47/842420447.db2.gz MHBFYJYIFSTVSK-LSDHHAIUSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000327241556 842421126 /nfs/dbraw/zinc/42/11/26/842421126.db2.gz QKJOHOUGTDPYPR-LBTNJELSSA-N 2 1 384.351 3.635 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000648162144 842647822 /nfs/dbraw/zinc/64/78/22/842647822.db2.gz LTRRWVXPDCIJEY-LEWJYISDSA-N 2 1 397.950 3.523 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000648162144 842647831 /nfs/dbraw/zinc/64/78/31/842647831.db2.gz LTRRWVXPDCIJEY-LEWJYISDSA-N 2 1 397.950 3.523 20 0 GHADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000473216338 842661833 /nfs/dbraw/zinc/66/18/33/842661833.db2.gz WLNWCJFWCPRWKG-LJQANCHMSA-N 2 1 395.469 3.619 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)[C@H](C)C1 ZINC000248523089 842685783 /nfs/dbraw/zinc/68/57/83/842685783.db2.gz SJDQKRXZAJIHCX-RKVPGOIHSA-N 2 1 399.373 3.942 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000248878309 842695754 /nfs/dbraw/zinc/69/57/54/842695754.db2.gz JZQNRUYZGYDGKB-OWZKRDHZSA-N 2 1 381.486 3.798 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(Br)cs3)CC2)C[C@H](C)O1 ZINC000512179446 842779257 /nfs/dbraw/zinc/77/92/57/842779257.db2.gz MLQXABQNNOWGMB-KBPBESRZSA-N 2 1 387.387 3.832 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000471864700 843025945 /nfs/dbraw/zinc/02/59/45/843025945.db2.gz IRSXFDNZDBTKOO-AZUAARDMSA-N 2 1 393.560 3.772 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000471864700 843025956 /nfs/dbraw/zinc/02/59/56/843025956.db2.gz IRSXFDNZDBTKOO-AZUAARDMSA-N 2 1 393.560 3.772 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662272791 843042373 /nfs/dbraw/zinc/04/23/73/843042373.db2.gz QFWPPUDCTRAWHP-LBPRGKRZSA-N 2 1 395.263 3.951 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662291044 843081394 /nfs/dbraw/zinc/08/13/94/843081394.db2.gz NNWUBLMRSVKISQ-AEFFLSMTSA-N 2 1 377.960 3.995 20 0 GHADMP Cc1cc(OCCC[C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1Cl ZINC000510654686 843137768 /nfs/dbraw/zinc/13/77/68/843137768.db2.gz APJUNGPFICSHPR-LJQANCHMSA-N 2 1 381.992 3.813 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCc2nsc3ccccc23)CC1 ZINC000662328091 843155847 /nfs/dbraw/zinc/15/58/47/843155847.db2.gz YKHZBYNEGIUJBZ-UHFFFAOYSA-N 2 1 395.576 3.909 20 0 GHADMP COc1cccc(CCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326735 843156222 /nfs/dbraw/zinc/15/62/22/843156222.db2.gz AZPZYFTUBCQGRF-UHFFFAOYSA-N 2 1 382.552 3.698 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000430913989 843173484 /nfs/dbraw/zinc/17/34/84/843173484.db2.gz ZVZVHNMUIGBDKN-UHFFFAOYSA-N 2 1 396.579 3.970 20 0 GHADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512263242 843252717 /nfs/dbraw/zinc/25/27/17/843252717.db2.gz VPMYZQQRPDJGMF-XMMPIXPASA-N 2 1 377.532 3.922 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512263242 843252728 /nfs/dbraw/zinc/25/27/28/843252728.db2.gz VPMYZQQRPDJGMF-XMMPIXPASA-N 2 1 377.532 3.922 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512263242 843252737 /nfs/dbraw/zinc/25/27/37/843252737.db2.gz VPMYZQQRPDJGMF-XMMPIXPASA-N 2 1 377.532 3.922 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000178705903 861399565 /nfs/dbraw/zinc/39/95/65/861399565.db2.gz COWZPOFWIDSOHQ-OLZOCXBDSA-N 2 1 383.277 3.783 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000165312167 843361934 /nfs/dbraw/zinc/36/19/34/843361934.db2.gz LTDKXZOINONAHN-FPOVZHCZSA-N 2 1 393.531 3.858 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432669198 843391998 /nfs/dbraw/zinc/39/19/98/843391998.db2.gz OYVOTUYZBGRIBB-LAUBAEHRSA-N 2 1 395.572 3.670 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432669198 843392010 /nfs/dbraw/zinc/39/20/10/843392010.db2.gz OYVOTUYZBGRIBB-LAUBAEHRSA-N 2 1 395.572 3.670 20 0 GHADMP CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418659458 843509720 /nfs/dbraw/zinc/50/97/20/843509720.db2.gz LYJGCBSVTBKZKV-DHIUTWEWSA-N 2 1 394.563 3.773 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418661110 843510614 /nfs/dbraw/zinc/51/06/14/843510614.db2.gz PAPUOXDJHISXHG-FYYLOGMGSA-N 2 1 394.563 3.630 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662675156 843513304 /nfs/dbraw/zinc/51/33/04/843513304.db2.gz JUJJACNAZVSVOZ-VFNWGFHPSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662675156 843513313 /nfs/dbraw/zinc/51/33/13/843513313.db2.gz JUJJACNAZVSVOZ-VFNWGFHPSA-N 2 1 387.474 3.513 20 0 GHADMP CCN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418681274 843529905 /nfs/dbraw/zinc/52/99/05/843529905.db2.gz VKDMJOCJAPZRMR-XZOQPEGZSA-N 2 1 394.563 3.773 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001167821126 843697830 /nfs/dbraw/zinc/69/78/30/843697830.db2.gz BPDFJASGFGYABM-FUDKSRODSA-N 2 1 389.584 3.842 20 0 GHADMP Cc1ccccc1OCCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512420653 843750284 /nfs/dbraw/zinc/75/02/84/843750284.db2.gz MOINLWZMNYQJEK-XMMPIXPASA-N 2 1 393.575 3.656 20 0 GHADMP Cc1ccccc1OCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512420653 843750293 /nfs/dbraw/zinc/75/02/93/843750293.db2.gz MOINLWZMNYQJEK-XMMPIXPASA-N 2 1 393.575 3.656 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512425030 843758417 /nfs/dbraw/zinc/75/84/17/843758417.db2.gz WRZAYGRIECXINE-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000510899717 843762991 /nfs/dbraw/zinc/76/29/91/843762991.db2.gz QIZCMQBNEWCHDU-OALUTQOASA-N 2 1 397.567 3.559 20 0 GHADMP CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829267 843778022 /nfs/dbraw/zinc/77/80/22/843778022.db2.gz PZERAGHZFXDIIB-FQEVSTJZSA-N 2 1 380.532 3.830 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000432797993 843860225 /nfs/dbraw/zinc/86/02/25/843860225.db2.gz HASLYNLYZOZYOW-QFIPXVFZSA-N 2 1 396.531 3.968 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000432797993 843860232 /nfs/dbraw/zinc/86/02/32/843860232.db2.gz HASLYNLYZOZYOW-QFIPXVFZSA-N 2 1 396.531 3.968 20 0 GHADMP c1ccc(CSCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512463819 843885407 /nfs/dbraw/zinc/88/54/07/843885407.db2.gz UFQJWYUSETVHHO-DEOSSOPVSA-N 2 1 395.616 3.812 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1)C(C)C ZINC000500749554 843943071 /nfs/dbraw/zinc/94/30/71/843943071.db2.gz RYMGXDNEKDZPEN-UHFFFAOYSA-N 2 1 382.552 3.516 20 0 GHADMP Cc1cccc(CCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512479044 843959595 /nfs/dbraw/zinc/95/95/95/843959595.db2.gz FODCBQRFUJXPHH-VWLOTQADSA-N 2 1 377.576 3.820 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513264319 845145458 /nfs/dbraw/zinc/14/54/58/845145458.db2.gz WDRDZWAGMNKJKW-DEOSSOPVSA-N 2 1 391.559 3.679 20 0 GHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549877371 845246457 /nfs/dbraw/zinc/24/64/57/845246457.db2.gz MTYMRZHTIJMMGD-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP COc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549877371 845246470 /nfs/dbraw/zinc/24/64/70/845246470.db2.gz MTYMRZHTIJMMGD-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1Cc1ccccc1 ZINC000513331679 845253453 /nfs/dbraw/zinc/25/34/53/845253453.db2.gz VAQNPDVNRKCQOZ-RLLQIKCJSA-N 2 1 384.955 3.956 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1Cc1ccccc1 ZINC000513331679 845253462 /nfs/dbraw/zinc/25/34/62/845253462.db2.gz VAQNPDVNRKCQOZ-RLLQIKCJSA-N 2 1 384.955 3.956 20 0 GHADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248390632 845292970 /nfs/dbraw/zinc/29/29/70/845292970.db2.gz BLOHSYNRYSZXLC-JMJGKCIBSA-N 2 1 380.532 3.619 20 0 GHADMP Cn1c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nnc1-c1ccccc1 ZINC000179389394 861559398 /nfs/dbraw/zinc/55/93/98/861559398.db2.gz SWWHQGUGZUFDEQ-UHFFFAOYSA-N 2 1 390.535 3.616 20 0 GHADMP Cn1c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nnc1-c1ccccc1 ZINC000179389394 861559416 /nfs/dbraw/zinc/55/94/16/861559416.db2.gz SWWHQGUGZUFDEQ-UHFFFAOYSA-N 2 1 390.535 3.616 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513435253 845433944 /nfs/dbraw/zinc/43/39/44/845433944.db2.gz ROERTYOTGYVYOA-CTNGQTDRSA-N 2 1 388.552 3.715 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513435253 845433951 /nfs/dbraw/zinc/43/39/51/845433951.db2.gz ROERTYOTGYVYOA-CTNGQTDRSA-N 2 1 388.552 3.715 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000411437840 845455804 /nfs/dbraw/zinc/45/58/04/845455804.db2.gz LTUWLVJJOULKLU-GFCCVEGCSA-N 2 1 390.330 3.772 20 0 GHADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124601 845457508 /nfs/dbraw/zinc/45/75/08/845457508.db2.gz DSQSXPXOORHMGS-NHCUHLMSSA-N 2 1 383.580 3.764 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000512775657 845486139 /nfs/dbraw/zinc/48/61/39/845486139.db2.gz AWWWIEVXALFRKP-UHFFFAOYSA-N 2 1 379.548 3.529 20 0 GHADMP Cc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000513538134 845612085 /nfs/dbraw/zinc/61/20/85/845612085.db2.gz HLHDDPGQHLWNSN-OFNKIYASSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000513538133 845612173 /nfs/dbraw/zinc/61/21/73/845612173.db2.gz HLHDDPGQHLWNSN-NZQKXSOJSA-N 2 1 389.547 3.966 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)C1 ZINC000156904510 845761854 /nfs/dbraw/zinc/76/18/54/845761854.db2.gz GZGWJCAMKKJXBZ-FPOVZHCZSA-N 2 1 395.572 3.711 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000071954566 845974442 /nfs/dbraw/zinc/97/44/42/845974442.db2.gz GUWAFEHNZMELKU-KRWDZBQOSA-N 2 1 379.976 3.961 20 0 GHADMP c1coc(-c2noc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n2)c1 ZINC000536487867 845991544 /nfs/dbraw/zinc/99/15/44/845991544.db2.gz IKRCMSNGEPELHR-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP c1coc(-c2noc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)n2)c1 ZINC000536487867 845991550 /nfs/dbraw/zinc/99/15/50/845991550.db2.gz IKRCMSNGEPELHR-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)nn3C)cc2)C1 ZINC000657310853 846002067 /nfs/dbraw/zinc/00/20/67/846002067.db2.gz PSIFQASCGQRSDZ-OAHLLOKOSA-N 2 1 380.458 3.961 20 0 GHADMP NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513684009 846240390 /nfs/dbraw/zinc/24/03/90/846240390.db2.gz OBNHXNSVOBELAK-YTFSRNRJSA-N 2 1 377.532 3.566 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000157912069 846246461 /nfs/dbraw/zinc/24/64/61/846246461.db2.gz GPBVTRWZCSFCEH-ROUUACIJSA-N 2 1 391.556 3.523 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000502648099 846314241 /nfs/dbraw/zinc/31/42/41/846314241.db2.gz MEZLDOMORNTTKO-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP Clc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(-n2cncn2)c1 ZINC000280640954 846471637 /nfs/dbraw/zinc/47/16/37/846471637.db2.gz RGZGBANHLTZOPZ-UHFFFAOYSA-N 2 1 396.926 3.833 20 0 GHADMP CC(C)[C@H]1[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC12CCOCC2 ZINC000414545263 846472550 /nfs/dbraw/zinc/47/25/50/846472550.db2.gz WDBZPYLJCAPYPF-HSZRJFAPSA-N 2 1 385.596 3.854 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000502839194 846509803 /nfs/dbraw/zinc/50/98/03/846509803.db2.gz DDWMLKVAHVWTPE-HVMDOBLNSA-N 2 1 398.595 3.682 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CC1 ZINC000501089851 846610959 /nfs/dbraw/zinc/61/09/59/846610959.db2.gz PEHILSCKNRSDML-GOSISDBHSA-N 2 1 381.967 3.902 20 0 GHADMP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000421857694 846624282 /nfs/dbraw/zinc/62/42/82/846624282.db2.gz POHCSIGKXMOFQM-IFMALSPDSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000501100166 846643006 /nfs/dbraw/zinc/64/30/06/846643006.db2.gz HLADRHGQQAJICV-QZTJIDSGSA-N 2 1 382.017 3.923 20 0 GHADMP C[C@@H]1CC([N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044564 861704187 /nfs/dbraw/zinc/70/41/87/861704187.db2.gz FNUJQAOHKGTRHH-YOSAUDMPSA-N 2 1 391.563 3.573 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC12CCOCC2 ZINC000582241804 846713776 /nfs/dbraw/zinc/71/37/76/846713776.db2.gz KKYBNXMMPNZXMY-FQEVSTJZSA-N 2 1 384.495 3.592 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000422008311 846747114 /nfs/dbraw/zinc/74/71/14/846747114.db2.gz PQKRTLRVRCZWKY-UHFFFAOYSA-N 2 1 391.559 3.986 20 0 GHADMP COc1cccc2c(NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)cc(C)[nH+]c12 ZINC000664238106 846775325 /nfs/dbraw/zinc/77/53/25/846775325.db2.gz WDRCONKSUQWXOJ-IBGZPJMESA-N 2 1 377.488 3.731 20 0 GHADMP COc1cccc2c(NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cc(C)[nH+]c12 ZINC000664238106 846775330 /nfs/dbraw/zinc/77/53/30/846775330.db2.gz WDRCONKSUQWXOJ-IBGZPJMESA-N 2 1 377.488 3.731 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH2+]C)CC1 ZINC000582360820 846948600 /nfs/dbraw/zinc/94/86/00/846948600.db2.gz QYJRWVIATUFCRD-QFIPXVFZSA-N 2 1 381.520 3.697 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000582360886 846948765 /nfs/dbraw/zinc/94/87/65/846948765.db2.gz XJDUSWQMKCBRTE-LEWJYISDSA-N 2 1 393.531 3.526 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000481568663 861743679 /nfs/dbraw/zinc/74/36/79/861743679.db2.gz DMRSTYHOTQHRDI-XUZZJYLKSA-N 3 1 387.612 3.625 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000481568663 861743694 /nfs/dbraw/zinc/74/36/94/861743694.db2.gz DMRSTYHOTQHRDI-XUZZJYLKSA-N 2 1 387.612 3.625 20 0 GHADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272311286 847044995 /nfs/dbraw/zinc/04/49/95/847044995.db2.gz IZJRJSNNMSYESQ-QKNQBKEWSA-N 2 1 395.547 3.913 20 0 GHADMP CCc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272587377 847117988 /nfs/dbraw/zinc/11/79/88/847117988.db2.gz HHXCGICKWATYAF-HSZRJFAPSA-N 2 1 398.572 3.593 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC001167572293 847148743 /nfs/dbraw/zinc/14/87/43/847148743.db2.gz LCBVBXSFGGVWBI-HXUWFJFHSA-N 2 1 379.633 3.708 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CC(C)(C)OC1(C)C ZINC001167572293 847148750 /nfs/dbraw/zinc/14/87/50/847148750.db2.gz LCBVBXSFGGVWBI-HXUWFJFHSA-N 3 1 379.633 3.708 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CC(C)(C)OC1(C)C ZINC001167572293 847148757 /nfs/dbraw/zinc/14/87/57/847148757.db2.gz LCBVBXSFGGVWBI-HXUWFJFHSA-N 3 1 379.633 3.708 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501751813 847156420 /nfs/dbraw/zinc/15/64/20/847156420.db2.gz MLCVMSJORIUFRL-IBGZPJMESA-N 2 1 399.501 3.860 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000501755835 847156720 /nfs/dbraw/zinc/15/67/20/847156720.db2.gz LYHLLOVKVPHZIA-LJQANCHMSA-N 2 1 399.501 3.670 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501831121 847226553 /nfs/dbraw/zinc/22/65/53/847226553.db2.gz XKUIGQHGZVATGB-RBBKRZOGSA-N 2 1 386.584 3.777 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511126715 847252116 /nfs/dbraw/zinc/25/21/16/847252116.db2.gz QDINHUKGJPQRMV-LJQANCHMSA-N 2 1 393.531 3.538 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511126715 847252131 /nfs/dbraw/zinc/25/21/31/847252131.db2.gz QDINHUKGJPQRMV-LJQANCHMSA-N 2 1 393.531 3.538 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001167575608 847281190 /nfs/dbraw/zinc/28/11/90/847281190.db2.gz DZXQJTLDXAQFGH-PXDATVDWSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001167575608 847281196 /nfs/dbraw/zinc/28/11/96/847281196.db2.gz DZXQJTLDXAQFGH-PXDATVDWSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001167575608 847281198 /nfs/dbraw/zinc/28/11/98/847281198.db2.gz DZXQJTLDXAQFGH-PXDATVDWSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001167575608 847281204 /nfs/dbraw/zinc/28/12/04/847281204.db2.gz DZXQJTLDXAQFGH-PXDATVDWSA-N 2 1 391.559 3.722 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894269531 847350988 /nfs/dbraw/zinc/35/09/88/847350988.db2.gz UDNFJJJGIFONLQ-AQNXPRMDSA-N 2 1 376.516 3.510 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894269531 847351001 /nfs/dbraw/zinc/35/10/01/847351001.db2.gz UDNFJJJGIFONLQ-AQNXPRMDSA-N 2 1 376.516 3.510 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000503261124 847532396 /nfs/dbraw/zinc/53/23/96/847532396.db2.gz AUWCCEMJHCWADP-UHFFFAOYSA-N 2 1 382.552 3.691 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361091 847640498 /nfs/dbraw/zinc/64/04/98/847640498.db2.gz LGYPAEINDYUCFU-TYPHKJRUSA-N 2 1 398.551 3.530 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422731667 847787391 /nfs/dbraw/zinc/78/73/91/847787391.db2.gz MDFUQGQWSGTQRL-CQOQZXRMSA-N 2 1 379.548 3.915 20 0 GHADMP Fc1ccc(Br)cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422811198 847834338 /nfs/dbraw/zinc/83/43/38/847834338.db2.gz ORNPLMWYKFNHDT-PKOBYXMFSA-N 2 1 391.284 3.934 20 0 GHADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423057540 847955629 /nfs/dbraw/zinc/95/56/29/847955629.db2.gz ZMLANFFVRANNIC-IINYFYTJSA-N 2 1 376.136 3.689 20 0 GHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423084210 847971459 /nfs/dbraw/zinc/97/14/59/847971459.db2.gz HSDNBBONTUTJPI-ZFWWWQNUSA-N 2 1 392.487 3.509 20 0 GHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000600427167 861950305 /nfs/dbraw/zinc/95/03/05/861950305.db2.gz HZTIYBJPLNTTCV-IBGZPJMESA-N 2 1 386.584 3.623 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000600427167 861950315 /nfs/dbraw/zinc/95/03/15/861950315.db2.gz HZTIYBJPLNTTCV-IBGZPJMESA-N 2 1 386.584 3.623 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC000548783778 848931887 /nfs/dbraw/zinc/93/18/87/848931887.db2.gz ZCSLFCJKDISJQQ-QFIPXVFZSA-N 2 1 383.584 3.516 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cc1F ZINC000153732222 848969828 /nfs/dbraw/zinc/96/98/28/848969828.db2.gz BLKBPMWVYZFIQE-HNNXBMFYSA-N 2 1 376.439 3.751 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000125037012 849434101 /nfs/dbraw/zinc/43/41/01/849434101.db2.gz WRDSFJKLWVVOOO-FQEVSTJZSA-N 2 1 399.560 3.576 20 0 GHADMP CC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000583334286 849647628 /nfs/dbraw/zinc/64/76/28/849647628.db2.gz FBZZFNXJOYFUIB-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP COc1cccc(C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]2CCCO2)c1 ZINC000583347514 849672518 /nfs/dbraw/zinc/67/25/18/849672518.db2.gz RPNKDDVICLRIAA-QHCPKHFHSA-N 2 1 392.503 3.766 20 0 GHADMP COc1cccc(C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]2CCCO2)c1 ZINC000583347514 849672520 /nfs/dbraw/zinc/67/25/20/849672520.db2.gz RPNKDDVICLRIAA-QHCPKHFHSA-N 2 1 392.503 3.766 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000503902878 849751157 /nfs/dbraw/zinc/75/11/57/849751157.db2.gz OWKRCZQRKGTJAP-CMPLNLGQSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC[N@H+]1C ZINC000503902878 849751162 /nfs/dbraw/zinc/75/11/62/849751162.db2.gz OWKRCZQRKGTJAP-CMPLNLGQSA-N 2 1 378.685 3.517 20 0 GHADMP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156929 849767015 /nfs/dbraw/zinc/76/70/15/849767015.db2.gz UOVPQEDQTLDDOJ-RDGATRHJSA-N 2 1 391.559 3.887 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156929 849767024 /nfs/dbraw/zinc/76/70/24/849767024.db2.gz UOVPQEDQTLDDOJ-RDGATRHJSA-N 2 1 391.559 3.887 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000150968142 849786479 /nfs/dbraw/zinc/78/64/79/849786479.db2.gz ADAGOENODLKSCF-LJQANCHMSA-N 2 1 397.485 3.833 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000150968142 849786483 /nfs/dbraw/zinc/78/64/83/849786483.db2.gz ADAGOENODLKSCF-LJQANCHMSA-N 2 1 397.485 3.833 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccncc2)CC1 ZINC000899878194 862071829 /nfs/dbraw/zinc/07/18/29/862071829.db2.gz MLAKTLKLKYRSGZ-UHFFFAOYSA-N 2 1 388.393 3.851 20 0 GHADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423507402 849948221 /nfs/dbraw/zinc/94/82/21/849948221.db2.gz JUGADIJKHQMKBV-RVMZIBIISA-N 2 1 393.575 3.785 20 0 GHADMP Clc1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423508409 849949087 /nfs/dbraw/zinc/94/90/87/849949087.db2.gz LEWMSAIIQLZPJO-DZVQBONVSA-N 2 1 375.988 3.857 20 0 GHADMP Fc1ccccc1C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423512428 849962354 /nfs/dbraw/zinc/96/23/54/849962354.db2.gz QFPWWQCCSMDIHR-UBVWURDFSA-N 2 1 381.539 3.916 20 0 GHADMP Clc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423514154 849962930 /nfs/dbraw/zinc/96/29/30/849962930.db2.gz MDFDQUWQTJRIFV-CVEARBPZSA-N 2 1 377.941 3.809 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514578739 850019791 /nfs/dbraw/zinc/01/97/91/850019791.db2.gz DQSYIZIUVHKDAT-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000504397566 850051368 /nfs/dbraw/zinc/05/13/68/850051368.db2.gz WOZJCKYUMQZJAP-IFMALSPDSA-N 2 1 388.600 3.800 20 0 GHADMP C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423876936 850083534 /nfs/dbraw/zinc/08/35/34/850083534.db2.gz SMAFJUPQPFPLAA-YUXAGFNASA-N 2 1 379.548 3.739 20 0 GHADMP CCN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027219 862089564 /nfs/dbraw/zinc/08/95/64/862089564.db2.gz GJGAFBQCBYTRKH-PKTZIBPZSA-N 2 1 394.563 3.595 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2C[NH+](C)C[C@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000486832985 850136914 /nfs/dbraw/zinc/13/69/14/850136914.db2.gz JSBDKKNHUXCKKZ-COPCDDAFSA-N 2 1 387.568 3.602 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000486832985 850136927 /nfs/dbraw/zinc/13/69/27/850136927.db2.gz JSBDKKNHUXCKKZ-COPCDDAFSA-N 2 1 387.568 3.602 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000486832985 850136935 /nfs/dbraw/zinc/13/69/35/850136935.db2.gz JSBDKKNHUXCKKZ-COPCDDAFSA-N 2 1 387.568 3.602 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(OC)c3F)CC2)cs1 ZINC000192682236 850165415 /nfs/dbraw/zinc/16/54/15/850165415.db2.gz ZKIVEQVOZUAHRL-UHFFFAOYSA-N 2 1 377.529 3.855 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001168371916 850204886 /nfs/dbraw/zinc/20/48/86/850204886.db2.gz PTXWGBNCLDVVMP-UHFFFAOYSA-N 2 1 391.600 3.974 20 0 GHADMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000514728563 850229738 /nfs/dbraw/zinc/22/97/38/850229738.db2.gz XKTLACVIJJRBJV-JOCHJYFZSA-N 2 1 381.520 3.505 20 0 GHADMP CN(c1ccccc1CN1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000435244941 850263474 /nfs/dbraw/zinc/26/34/74/850263474.db2.gz JIYHYHXNUFIUNC-UHFFFAOYSA-N 2 1 392.591 3.535 20 0 GHADMP CN(c1ccccc1C[NH+]1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000435244941 850263486 /nfs/dbraw/zinc/26/34/86/850263486.db2.gz JIYHYHXNUFIUNC-UHFFFAOYSA-N 2 1 392.591 3.535 20 0 GHADMP C[C@H]1CC2(CN1C(=O)c1cccc(C[N@@H+](C)Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000424235755 850304122 /nfs/dbraw/zinc/30/41/22/850304122.db2.gz LCOQTDSISWIMKK-FQEVSTJZSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cn(-c3ccc(Cl)cc3Cl)nn1)CC[NH2+]CC2 ZINC000424380077 850419711 /nfs/dbraw/zinc/41/97/11/850419711.db2.gz PHJRTMUAWXIGCH-ZDUSSCGKSA-N 2 1 380.323 3.538 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000518968225 850420960 /nfs/dbraw/zinc/42/09/60/850420960.db2.gz KPRJOOLINBDUHA-HXUWFJFHSA-N 2 1 394.563 3.602 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637899034 850477631 /nfs/dbraw/zinc/47/76/31/850477631.db2.gz BDXKOWIZKRAWOD-QFIPXVFZSA-N 2 1 395.522 3.873 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000443898847 862143930 /nfs/dbraw/zinc/14/39/30/862143930.db2.gz IWGJLLSSVOFHRU-ICSRJNTNSA-N 2 1 390.572 3.744 20 0 GHADMP C[C@H](NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000435682381 850748029 /nfs/dbraw/zinc/74/80/29/850748029.db2.gz NATOTGBJNPNWSH-YJBOKZPZSA-N 2 1 389.590 3.631 20 0 GHADMP C[C@H](NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000435682381 850748034 /nfs/dbraw/zinc/74/80/34/850748034.db2.gz NATOTGBJNPNWSH-YJBOKZPZSA-N 2 1 389.590 3.631 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccc(Cl)cc1 ZINC000515219778 850801952 /nfs/dbraw/zinc/80/19/52/850801952.db2.gz ITQMJNBKSFJAPR-VQTJNVASSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccc(Cl)cc1 ZINC000515219778 850801958 /nfs/dbraw/zinc/80/19/58/850801958.db2.gz ITQMJNBKSFJAPR-VQTJNVASSA-N 2 1 384.911 3.553 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000440206375 850916860 /nfs/dbraw/zinc/91/68/60/850916860.db2.gz KUXZMIOBONPOLK-UHFFFAOYSA-N 2 1 389.588 3.514 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414839406 850929848 /nfs/dbraw/zinc/92/98/48/850929848.db2.gz XKGBJACWDJUQFZ-OAHLLOKOSA-N 2 1 391.357 3.847 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000487895030 850974684 /nfs/dbraw/zinc/97/46/84/850974684.db2.gz YJQILRCEKBDXPS-XMMPIXPASA-N 2 1 394.563 3.602 20 0 GHADMP C[C@@H](N[C@H](C)c1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487911879 850984836 /nfs/dbraw/zinc/98/48/36/850984836.db2.gz GGTOATBJPAJVSD-LMMKCTJWSA-N 2 1 385.939 3.770 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487911879 850984852 /nfs/dbraw/zinc/98/48/52/850984852.db2.gz GGTOATBJPAJVSD-LMMKCTJWSA-N 2 1 385.939 3.770 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513912327 851014365 /nfs/dbraw/zinc/01/43/65/851014365.db2.gz BJBHZXQOTJYJMB-FQEVSTJZSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513912327 851014373 /nfs/dbraw/zinc/01/43/73/851014373.db2.gz BJBHZXQOTJYJMB-FQEVSTJZSA-N 2 1 382.552 3.814 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000434355030 851025681 /nfs/dbraw/zinc/02/56/81/851025681.db2.gz LQYSLUFIBPWVQX-UEVCKROQSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000434355030 851025693 /nfs/dbraw/zinc/02/56/93/851025693.db2.gz LQYSLUFIBPWVQX-UEVCKROQSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000434355030 851025703 /nfs/dbraw/zinc/02/57/03/851025703.db2.gz LQYSLUFIBPWVQX-UEVCKROQSA-N 2 1 398.595 3.698 20 0 GHADMP COC(=O)[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000425429736 851059588 /nfs/dbraw/zinc/05/95/88/851059588.db2.gz ATUOHECGNCPZOA-UEVCKROQSA-N 2 1 380.532 3.834 20 0 GHADMP COC(=O)[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000425429736 851059590 /nfs/dbraw/zinc/05/95/90/851059590.db2.gz ATUOHECGNCPZOA-UEVCKROQSA-N 2 1 380.532 3.834 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488030998 851095758 /nfs/dbraw/zinc/09/57/58/851095758.db2.gz CLCSWMJULFYDNO-CBGDNZLLSA-N 2 1 385.939 3.770 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514040009 851144058 /nfs/dbraw/zinc/14/40/58/851144058.db2.gz SFKLRTDJLHKJMX-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000514040009 851144062 /nfs/dbraw/zinc/14/40/62/851144062.db2.gz SFKLRTDJLHKJMX-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000514040009 851144068 /nfs/dbraw/zinc/14/40/68/851144068.db2.gz SFKLRTDJLHKJMX-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCCCC1 ZINC000514032262 851147857 /nfs/dbraw/zinc/14/78/57/851147857.db2.gz DTWKSIRFRZGLOX-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP CCOCc1cccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000637972580 851194237 /nfs/dbraw/zinc/19/42/37/851194237.db2.gz BCBUTPKEEIASEY-UHFFFAOYSA-N 2 1 381.520 3.545 20 0 GHADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167967887 851225055 /nfs/dbraw/zinc/22/50/55/851225055.db2.gz KCKJYAQPRLEEBC-NXEWRWPSSA-N 2 1 376.928 3.939 20 0 GHADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Cl)cc1 ZINC001167967887 851225058 /nfs/dbraw/zinc/22/50/58/851225058.db2.gz KCKJYAQPRLEEBC-NXEWRWPSSA-N 2 1 376.928 3.939 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488326658 851411057 /nfs/dbraw/zinc/41/10/57/851411057.db2.gz RNOCZQCUHHHWOH-OAHLLOKOSA-N 2 1 399.457 3.720 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000436291295 851426165 /nfs/dbraw/zinc/42/61/65/851426165.db2.gz PVQXBPDGRLOPJX-PKTZIBPZSA-N 2 1 377.532 3.500 20 0 GHADMP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110909622 851477187 /nfs/dbraw/zinc/47/71/87/851477187.db2.gz AJVIQUNNXZIVIK-KQVJYAISSA-N 2 1 385.596 3.914 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000515806533 851496117 /nfs/dbraw/zinc/49/61/17/851496117.db2.gz ZDNKOGSCADLVGA-IBGZPJMESA-N 2 1 392.613 3.647 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000488475046 851527228 /nfs/dbraw/zinc/52/72/28/851527228.db2.gz GVSDKAUZPGEXOC-NZQKXSOJSA-N 2 1 398.595 3.648 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000111240856 851578092 /nfs/dbraw/zinc/57/80/92/851578092.db2.gz WCQSAMWJYSVEQB-OAHLLOKOSA-N 2 1 375.340 3.539 20 0 GHADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001167973398 851658254 /nfs/dbraw/zinc/65/82/54/851658254.db2.gz JHZLIVNQJUBHAN-MNIJEXPFSA-N 2 1 377.573 3.769 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000550143231 851742914 /nfs/dbraw/zinc/74/29/14/851742914.db2.gz XTXINLFOJJYBRO-WOJBJXKFSA-N 2 1 394.600 3.902 20 0 GHADMP F[C@H]1CC2(CC[C@@H]1[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCCO2 ZINC000894600912 851758095 /nfs/dbraw/zinc/75/80/95/851758095.db2.gz NOIVCWCVUJZWOS-SFTDATJTSA-N 2 1 388.527 3.608 20 0 GHADMP Cn1cncc1CCC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837533 851851196 /nfs/dbraw/zinc/85/11/96/851851196.db2.gz OQSIRDMDDLIWQW-HSZRJFAPSA-N 2 1 380.580 3.975 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837533 851851202 /nfs/dbraw/zinc/85/12/02/851851202.db2.gz OQSIRDMDDLIWQW-HSZRJFAPSA-N 3 1 380.580 3.975 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837533 851851215 /nfs/dbraw/zinc/85/12/15/851851215.db2.gz OQSIRDMDDLIWQW-HSZRJFAPSA-N 3 1 380.580 3.975 20 0 GHADMP CC1(C)C[N@@H+](CCCN2CCCC2=O)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837299 851879808 /nfs/dbraw/zinc/87/98/08/851879808.db2.gz UXDREEUCSJWHLA-HSZRJFAPSA-N 2 1 383.580 3.622 20 0 GHADMP CCN(CC)C(=O)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167981873 852019456 /nfs/dbraw/zinc/01/94/56/852019456.db2.gz NQWMEXRWKLTYQY-NOTZXAQLSA-N 2 1 383.580 3.706 20 0 GHADMP CCN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458852838 852056475 /nfs/dbraw/zinc/05/64/75/852056475.db2.gz OINDSJVSXIEXSN-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000517546330 852101043 /nfs/dbraw/zinc/10/10/43/852101043.db2.gz PYPBXXQYAFZCHX-WTIAFYNJSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000517546330 852101048 /nfs/dbraw/zinc/10/10/48/852101048.db2.gz PYPBXXQYAFZCHX-WTIAFYNJSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000517546330 852101055 /nfs/dbraw/zinc/10/10/55/852101055.db2.gz PYPBXXQYAFZCHX-WTIAFYNJSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000517546330 852101060 /nfs/dbraw/zinc/10/10/60/852101060.db2.gz PYPBXXQYAFZCHX-WTIAFYNJSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000473815514 852149338 /nfs/dbraw/zinc/14/93/38/852149338.db2.gz DCUMZVVUEZZIFB-OOICKAIWSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000473815514 852149345 /nfs/dbraw/zinc/14/93/45/852149345.db2.gz DCUMZVVUEZZIFB-OOICKAIWSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000473815514 852149348 /nfs/dbraw/zinc/14/93/48/852149348.db2.gz DCUMZVVUEZZIFB-OOICKAIWSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000438306866 852243113 /nfs/dbraw/zinc/24/31/13/852243113.db2.gz QQQCXXDKXZHWAP-NNMXDRDESA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000438306866 852243126 /nfs/dbraw/zinc/24/31/26/852243126.db2.gz QQQCXXDKXZHWAP-NNMXDRDESA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000438306866 852243136 /nfs/dbraw/zinc/24/31/36/852243136.db2.gz QQQCXXDKXZHWAP-NNMXDRDESA-N 2 1 390.616 3.736 20 0 GHADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550271855 852244593 /nfs/dbraw/zinc/24/45/93/852244593.db2.gz ZMYKBFNXNFLLMP-QHCPKHFHSA-N 2 1 396.579 3.791 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638747160 852328867 /nfs/dbraw/zinc/32/88/67/852328867.db2.gz BKBWYJSRHNOFGA-RVFVQDDPSA-N 3 1 397.607 3.712 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000506917087 852331493 /nfs/dbraw/zinc/33/14/93/852331493.db2.gz NCLAZLCGEXEFHE-LEWJYISDSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2)C[C@H](C)O1 ZINC000426870141 852483542 /nfs/dbraw/zinc/48/35/42/852483542.db2.gz ADIJAHPNIOUHGJ-KDURUIRLSA-N 2 1 387.568 3.746 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2)C[C@H](C)O1 ZINC000426870141 852483548 /nfs/dbraw/zinc/48/35/48/852483548.db2.gz ADIJAHPNIOUHGJ-KDURUIRLSA-N 2 1 387.568 3.746 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961485 852552121 /nfs/dbraw/zinc/55/21/21/852552121.db2.gz LYHCHJCAXHQFCF-VJAOCGABSA-N 2 1 377.573 3.769 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414951081 852853532 /nfs/dbraw/zinc/85/35/32/852853532.db2.gz GTEULMPHRCDQMG-BBRMVZONSA-N 2 1 385.346 3.724 20 0 GHADMP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000516914534 853151182 /nfs/dbraw/zinc/15/11/82/853151182.db2.gz HUVDPDMQFQGLNS-NRFANRHFSA-N 2 1 396.922 3.661 20 0 GHADMP CC[C@H](C(=O)NC[C@@H](C)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000516939610 853180724 /nfs/dbraw/zinc/18/07/24/853180724.db2.gz HKVBBWIIFCRDKF-YLJYHZDGSA-N 2 1 385.577 3.522 20 0 GHADMP C[NH2+]CCC1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000414906490 853196186 /nfs/dbraw/zinc/19/61/86/853196186.db2.gz PWFXANOBJCXDNT-UHFFFAOYSA-N 2 1 383.540 3.908 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1=O ZINC000426299817 853386997 /nfs/dbraw/zinc/38/69/97/853386997.db2.gz ATSMJEDLRGZUFL-WBDAEOGXSA-N 2 1 387.527 3.824 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1=O ZINC000426299817 853387001 /nfs/dbraw/zinc/38/70/01/853387001.db2.gz ATSMJEDLRGZUFL-WBDAEOGXSA-N 2 1 387.527 3.824 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623860686 862462229 /nfs/dbraw/zinc/46/22/29/862462229.db2.gz BLEXYKIGEBRQRB-ZWKOTPCHSA-N 2 1 399.560 3.622 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000426328063 853471645 /nfs/dbraw/zinc/47/16/45/853471645.db2.gz XGCMKYYZILFOAI-SFHVURJKSA-N 2 1 381.358 3.773 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C(C)C)C2CCC2)[NH+]2CCCCC2)cc1 ZINC000440668064 853504443 /nfs/dbraw/zinc/50/44/43/853504443.db2.gz JVYMJJPDAKGNMP-QFIPXVFZSA-N 2 1 387.568 3.601 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1Cl ZINC000518630143 853589504 /nfs/dbraw/zinc/58/95/04/853589504.db2.gz IQVHYNYCNIYWGZ-PXNSSMCTSA-N 2 1 392.975 3.603 20 0 GHADMP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C[NH+]1CCCC1 ZINC000416331374 853793657 /nfs/dbraw/zinc/79/36/57/853793657.db2.gz BPANTLMEIBNBJX-IBGZPJMESA-N 2 1 386.584 3.826 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000073895196 853963721 /nfs/dbraw/zinc/96/37/21/853963721.db2.gz QKEZKJYJXPAFJB-MRXNPFEDSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000073895196 853963723 /nfs/dbraw/zinc/96/37/23/853963723.db2.gz QKEZKJYJXPAFJB-MRXNPFEDSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001168380200 854007055 /nfs/dbraw/zinc/00/70/55/854007055.db2.gz QDXHBFZCOICKRI-DEOSSOPVSA-N 2 1 381.564 3.507 20 0 GHADMP C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000467418636 854023032 /nfs/dbraw/zinc/02/30/32/854023032.db2.gz OBWCXVUODGUOLP-KUHUBIRLSA-N 2 1 380.891 3.804 20 0 GHADMP COc1ccc(Oc2ccc(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cc2)cc1 ZINC000441377343 854161381 /nfs/dbraw/zinc/16/13/81/854161381.db2.gz GHCHNSKROXPKTO-UHFFFAOYSA-N 2 1 383.536 3.603 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000520408475 854180863 /nfs/dbraw/zinc/18/08/63/854180863.db2.gz TYVXTBMDQVSHSU-UFYCRDLUSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000520408475 854180869 /nfs/dbraw/zinc/18/08/69/854180869.db2.gz TYVXTBMDQVSHSU-UFYCRDLUSA-N 2 1 389.337 3.517 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000165011837 854185183 /nfs/dbraw/zinc/18/51/83/854185183.db2.gz RMYYCRYCIWSBJC-KNBMTAEXSA-N 2 1 392.590 3.885 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000165011837 854185191 /nfs/dbraw/zinc/18/51/91/854185191.db2.gz RMYYCRYCIWSBJC-KNBMTAEXSA-N 2 1 392.590 3.885 20 0 GHADMP O=C1C[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993374 854353290 /nfs/dbraw/zinc/35/32/90/854353290.db2.gz OEYOKCLZRQJBHT-ZWZGKBJOSA-N 2 1 385.577 3.582 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993374 854353296 /nfs/dbraw/zinc/35/32/96/854353296.db2.gz OEYOKCLZRQJBHT-ZWZGKBJOSA-N 2 1 385.577 3.582 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993374 854353300 /nfs/dbraw/zinc/35/33/00/854353300.db2.gz OEYOKCLZRQJBHT-ZWZGKBJOSA-N 2 1 385.577 3.582 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)cc3Br)CC2)C[C@@H](C)O1 ZINC000588710697 854369440 /nfs/dbraw/zinc/36/94/40/854369440.db2.gz UXCQEOZBZGCVRY-HUUCEWRRSA-N 2 1 399.348 3.909 20 0 GHADMP O=C1Nc2ccccc2C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)N1 ZINC001167994994 854430033 /nfs/dbraw/zinc/43/00/33/854430033.db2.gz SPVXJLAVVHZUBI-DFNIBXOVSA-N 2 1 380.536 3.518 20 0 GHADMP CC[C@H](C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000572296823 854456486 /nfs/dbraw/zinc/45/64/86/854456486.db2.gz VFMUTMALCPYIOR-OAQYLSRUSA-N 2 1 380.536 3.517 20 0 GHADMP CC[C@H](C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000572296823 854456488 /nfs/dbraw/zinc/45/64/88/854456488.db2.gz VFMUTMALCPYIOR-OAQYLSRUSA-N 2 1 380.536 3.517 20 0 GHADMP c1ccc2c(c1)ccnc2N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995578 854490650 /nfs/dbraw/zinc/49/06/50/854490650.db2.gz JPQPYYADQRHRKV-CBQGHPETSA-N 2 1 376.548 3.762 20 0 GHADMP c1ccc2c(c1)ccnc2N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995578 854490657 /nfs/dbraw/zinc/49/06/57/854490657.db2.gz JPQPYYADQRHRKV-CBQGHPETSA-N 2 1 376.548 3.762 20 0 GHADMP c1ccc2c(c1)ccnc2N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995578 854490664 /nfs/dbraw/zinc/49/06/64/854490664.db2.gz JPQPYYADQRHRKV-CBQGHPETSA-N 2 1 376.548 3.762 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000068200370 854559688 /nfs/dbraw/zinc/55/96/88/854559688.db2.gz SFYAFENDEUOEDW-IEBWSBKVSA-N 2 1 389.540 3.518 20 0 GHADMP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)CC(C)(C)C ZINC000588902627 854562306 /nfs/dbraw/zinc/56/23/06/854562306.db2.gz XNFGQOAGSCWYAI-UHFFFAOYSA-N 2 1 399.501 3.718 20 0 GHADMP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)CC(C)(C)C ZINC000588902627 854562311 /nfs/dbraw/zinc/56/23/11/854562311.db2.gz XNFGQOAGSCWYAI-UHFFFAOYSA-N 2 1 399.501 3.718 20 0 GHADMP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)CC(C)(C)C ZINC000588902627 854562316 /nfs/dbraw/zinc/56/23/16/854562316.db2.gz XNFGQOAGSCWYAI-UHFFFAOYSA-N 2 1 399.501 3.718 20 0 GHADMP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)CC(C)(C)C ZINC000588902627 854562319 /nfs/dbraw/zinc/56/23/19/854562319.db2.gz XNFGQOAGSCWYAI-UHFFFAOYSA-N 2 1 399.501 3.718 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000073554637 854735901 /nfs/dbraw/zinc/73/59/01/854735901.db2.gz UBZZDHCMILAVGS-IBGZPJMESA-N 2 1 386.584 3.623 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000589205237 854749609 /nfs/dbraw/zinc/74/96/09/854749609.db2.gz YWVOHBHTNSATPR-MSOLQXFVSA-N 2 1 380.602 3.551 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000589208311 854750735 /nfs/dbraw/zinc/75/07/35/854750735.db2.gz MLFBBPDKYNBFNH-IBGZPJMESA-N 2 1 396.579 3.945 20 0 GHADMP Cn1c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2sc1=O ZINC000475199280 854859783 /nfs/dbraw/zinc/85/97/83/854859783.db2.gz UFEOJHFRGQRVCK-UHFFFAOYSA-N 2 1 382.533 3.512 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C[NH+]1CCCC1 ZINC000616064932 854928357 /nfs/dbraw/zinc/92/83/57/854928357.db2.gz MIBUCVBHWAUYPQ-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572702551 854939800 /nfs/dbraw/zinc/93/98/00/854939800.db2.gz RPFWCIZZAZTDEI-OXJNMPFZSA-N 2 1 388.556 3.686 20 0 GHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)c2C1 ZINC000589571743 855015490 /nfs/dbraw/zinc/01/54/90/855015490.db2.gz BHQDYAXNKDCQKW-FQEVSTJZSA-N 2 1 378.520 3.658 20 0 GHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)c2C1 ZINC000589571743 855015499 /nfs/dbraw/zinc/01/54/99/855015499.db2.gz BHQDYAXNKDCQKW-FQEVSTJZSA-N 2 1 378.520 3.658 20 0 GHADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)c2C1 ZINC000589571743 855015507 /nfs/dbraw/zinc/01/55/07/855015507.db2.gz BHQDYAXNKDCQKW-FQEVSTJZSA-N 2 1 378.520 3.658 20 0 GHADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)c2C1 ZINC000589571743 855015515 /nfs/dbraw/zinc/01/55/15/855015515.db2.gz BHQDYAXNKDCQKW-FQEVSTJZSA-N 2 1 378.520 3.658 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000765824515 855310518 /nfs/dbraw/zinc/31/05/18/855310518.db2.gz HUUGESXOBJMPON-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000520498131 855509466 /nfs/dbraw/zinc/50/94/66/855509466.db2.gz USUZCBUEEGIYQH-UGKGYDQZSA-N 2 1 379.548 3.897 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c1C ZINC000133617259 855539956 /nfs/dbraw/zinc/53/99/56/855539956.db2.gz GIBDMNKNZZKAHV-MSOLQXFVSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1C ZINC000133617259 855539962 /nfs/dbraw/zinc/53/99/62/855539962.db2.gz GIBDMNKNZZKAHV-MSOLQXFVSA-N 2 1 399.608 3.824 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000590786554 855587091 /nfs/dbraw/zinc/58/70/91/855587091.db2.gz FGNQZEJRLGIFSD-UHFFFAOYSA-N 2 1 383.536 3.865 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000590786554 855587096 /nfs/dbraw/zinc/58/70/96/855587096.db2.gz FGNQZEJRLGIFSD-UHFFFAOYSA-N 2 1 383.536 3.865 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000843773971 855695333 /nfs/dbraw/zinc/69/53/33/855695333.db2.gz YNGDPTWPQQVSKN-KRWDZBQOSA-N 2 1 383.540 3.566 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCCCC1 ZINC000591095321 855758997 /nfs/dbraw/zinc/75/89/97/855758997.db2.gz HHKWGEGXYJHSEZ-FQEVSTJZSA-N 2 1 387.568 3.546 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000482139547 862724191 /nfs/dbraw/zinc/72/41/91/862724191.db2.gz USNRVCFTPPVCIL-HOTGVXAUSA-N 2 1 383.483 3.717 20 0 GHADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573121461 855851727 /nfs/dbraw/zinc/85/17/27/855851727.db2.gz DDOYWBFUMRDRKE-WIYYLYMNSA-N 2 1 393.531 3.687 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000591458721 856000821 /nfs/dbraw/zinc/00/08/21/856000821.db2.gz OPWILQVAWYSKPC-LADGPHEKSA-N 2 1 393.575 3.750 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000591546091 856100899 /nfs/dbraw/zinc/10/08/99/856100899.db2.gz WPLCWUJSBAONCN-FQEVSTJZSA-N 2 1 392.975 3.651 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905121679 856168827 /nfs/dbraw/zinc/16/88/27/856168827.db2.gz FDIVFHLPCVBEES-GCJKJVERSA-N 2 1 393.531 3.723 20 0 GHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000536479890 856202797 /nfs/dbraw/zinc/20/27/97/856202797.db2.gz RYAWCMALPFZYIV-NRFANRHFSA-N 2 1 398.595 3.801 20 0 GHADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486419 856220669 /nfs/dbraw/zinc/22/06/69/856220669.db2.gz RMPSLYPIQYVYFY-NRFANRHFSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccccc2OCc2cccnc2)C[C@H](C)O1 ZINC000067452709 856265874 /nfs/dbraw/zinc/26/58/74/856265874.db2.gz QUVXDZGLBBZIGD-BGYRXZFFSA-N 2 1 383.536 3.640 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC[C@@H]21 ZINC000485324266 856364241 /nfs/dbraw/zinc/36/42/41/856364241.db2.gz RDNKRVRVACVJKJ-ZRCGQRJVSA-N 2 1 397.588 3.760 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC[C@@H]21 ZINC000485324266 856364256 /nfs/dbraw/zinc/36/42/56/856364256.db2.gz RDNKRVRVACVJKJ-ZRCGQRJVSA-N 2 1 397.588 3.760 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC[C@@H]21 ZINC000485324266 856364264 /nfs/dbraw/zinc/36/42/64/856364264.db2.gz RDNKRVRVACVJKJ-ZRCGQRJVSA-N 2 1 397.588 3.760 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC001128744069 856380487 /nfs/dbraw/zinc/38/04/87/856380487.db2.gz FPIUHQNUXNDUCP-VSKRKVRLSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001128744069 856380492 /nfs/dbraw/zinc/38/04/92/856380492.db2.gz FPIUHQNUXNDUCP-VSKRKVRLSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001128744069 856380500 /nfs/dbraw/zinc/38/05/00/856380500.db2.gz FPIUHQNUXNDUCP-VSKRKVRLSA-N 2 1 385.596 3.771 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccccc2F)CC1 ZINC000429232280 856387893 /nfs/dbraw/zinc/38/78/93/856387893.db2.gz TXQBSGCZHAISMN-UHFFFAOYSA-N 2 1 397.538 3.740 20 0 GHADMP CN(CCCC[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000625728628 856395159 /nfs/dbraw/zinc/39/51/59/856395159.db2.gz CRSWYRMDZPVEKG-NHCUHLMSSA-N 2 1 399.604 3.764 20 0 GHADMP C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385843 856425757 /nfs/dbraw/zinc/42/57/57/856425757.db2.gz OLUJTQKEGAWGOD-HFSMHLIXSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485385843 856425767 /nfs/dbraw/zinc/42/57/67/856425767.db2.gz OLUJTQKEGAWGOD-HFSMHLIXSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385843 856425770 /nfs/dbraw/zinc/42/57/70/856425770.db2.gz OLUJTQKEGAWGOD-HFSMHLIXSA-N 2 1 397.950 3.946 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186490278 856497607 /nfs/dbraw/zinc/49/76/07/856497607.db2.gz QKORJNYZCZGLLA-UXHICEINSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186490278 856497618 /nfs/dbraw/zinc/49/76/18/856497618.db2.gz QKORJNYZCZGLLA-UXHICEINSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000427693517 856551934 /nfs/dbraw/zinc/55/19/34/856551934.db2.gz FWQRHAKXAPLYSW-ZEQRLZLVSA-N 2 1 393.575 3.741 20 0 GHADMP COc1ccc([C@@H]2C[C@@H](N(c3cc(C)[nH+]c(C)n3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168676471 856590663 /nfs/dbraw/zinc/59/06/63/856590663.db2.gz NHDDXNYERCSHJO-UNMCSNQZSA-N 2 1 396.535 3.581 20 0 GHADMP CC(C)(C[C@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919967 856616598 /nfs/dbraw/zinc/61/65/98/856616598.db2.gz BVCNBKQWPXKHND-NHCUHLMSSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919967 856616606 /nfs/dbraw/zinc/61/66/06/856616606.db2.gz BVCNBKQWPXKHND-NHCUHLMSSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919967 856616610 /nfs/dbraw/zinc/61/66/10/856616610.db2.gz BVCNBKQWPXKHND-NHCUHLMSSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919967 856616621 /nfs/dbraw/zinc/61/66/21/856616621.db2.gz BVCNBKQWPXKHND-NHCUHLMSSA-N 2 1 383.580 3.797 20 0 GHADMP O[C@@H](COc1ccc(F)cc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485485254 856661709 /nfs/dbraw/zinc/66/17/09/856661709.db2.gz ARTQWQRYIMSRJZ-JOCHJYFZSA-N 2 1 398.522 3.554 20 0 GHADMP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000701897522 856740416 /nfs/dbraw/zinc/74/04/16/856740416.db2.gz AHTWZUZRPZLCKI-SFHVURJKSA-N 2 1 375.557 3.539 20 0 GHADMP C[C@H]1CCN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c2ccccc2S1 ZINC000056524513 857069257 /nfs/dbraw/zinc/06/92/57/857069257.db2.gz IAJDGGDGSUCILX-KRWDZBQOSA-N 2 1 375.582 3.568 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658230861 857098833 /nfs/dbraw/zinc/09/88/33/857098833.db2.gz ANBPMPYFUPITGA-OSFFKXSWSA-N 2 1 378.564 3.917 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057138371 857152102 /nfs/dbraw/zinc/15/21/02/857152102.db2.gz YEDNPISUVLSSBE-QHCPKHFHSA-N 2 1 377.532 3.563 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429246154 857186466 /nfs/dbraw/zinc/18/64/66/857186466.db2.gz FOYCHHYMUJQLQV-OFNKIYASSA-N 2 1 395.478 3.762 20 0 GHADMP C[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC000785477642 857204267 /nfs/dbraw/zinc/20/42/67/857204267.db2.gz JHFBLUADYWFULC-LJQANCHMSA-N 2 1 387.568 3.888 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000574060794 857234501 /nfs/dbraw/zinc/23/45/01/857234501.db2.gz FNRFKVCHRJHFNA-UHFFFAOYSA-N 2 1 393.000 3.827 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000465959540 857243570 /nfs/dbraw/zinc/24/35/70/857243570.db2.gz UWMRXTHRTFZWOD-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000465959540 857243576 /nfs/dbraw/zinc/24/35/76/857243576.db2.gz UWMRXTHRTFZWOD-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000465959540 857243584 /nfs/dbraw/zinc/24/35/84/857243584.db2.gz UWMRXTHRTFZWOD-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[NH+](CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000060955087 857490111 /nfs/dbraw/zinc/49/01/11/857490111.db2.gz IWZOCIVSFLTCNQ-HXUWFJFHSA-N 2 1 388.600 3.979 20 0 GHADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1I ZINC000593322055 857528678 /nfs/dbraw/zinc/52/86/78/857528678.db2.gz LEGSEKRBJVIGDY-ZDUSSCGKSA-N 2 1 380.273 3.861 20 0 GHADMP COc1ccc(COCC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000671723590 857557478 /nfs/dbraw/zinc/55/74/78/857557478.db2.gz XRJNAVWRLOJOLS-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COc1ccc(COCC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000671723590 857557485 /nfs/dbraw/zinc/55/74/85/857557485.db2.gz XRJNAVWRLOJOLS-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COc1ccc(COCC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000671723590 857557494 /nfs/dbraw/zinc/55/74/94/857557494.db2.gz XRJNAVWRLOJOLS-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000675728921 857585792 /nfs/dbraw/zinc/58/57/92/857585792.db2.gz HZEOLEKWTXOTIG-QGZVFWFLSA-N 2 1 384.495 3.955 20 0 GHADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1F ZINC000482323964 862932033 /nfs/dbraw/zinc/93/20/33/862932033.db2.gz UVCHPECUNZQMCN-IFMALSPDSA-N 2 1 391.575 3.724 20 0 GHADMP CC[C@@H](Cc1cccs1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000675832031 857630223 /nfs/dbraw/zinc/63/02/23/857630223.db2.gz DDCDGLPIWSYUAM-UXHICEINSA-N 2 1 385.577 3.556 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744440 857765230 /nfs/dbraw/zinc/76/52/30/857765230.db2.gz HXCSDAATBNRVLH-CTNGQTDRSA-N 2 1 375.520 3.830 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000466015367 857837149 /nfs/dbraw/zinc/83/71/49/857837149.db2.gz YTSAGVGDVKHNEP-RDJZCZTQSA-N 2 1 398.954 3.598 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000765973722 858167660 /nfs/dbraw/zinc/16/76/60/858167660.db2.gz DODMPQSCHJNLNC-PBHICJAKSA-N 2 1 384.467 3.591 20 0 GHADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871892 858188791 /nfs/dbraw/zinc/18/87/91/858188791.db2.gz MIMOJFNLSJLSDW-HNNXBMFYSA-N 2 1 390.572 3.934 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000594495631 858191353 /nfs/dbraw/zinc/19/13/53/858191353.db2.gz RKEUTNSFUKWBAH-HSQYWUDLSA-N 2 1 388.552 3.577 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428262064 858196000 /nfs/dbraw/zinc/19/60/00/858196000.db2.gz WFPMIKZSDZPQLK-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000443006254 858305810 /nfs/dbraw/zinc/30/58/10/858305810.db2.gz HYIHKHXGYRHKGW-FPOVZHCZSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000443006254 858305817 /nfs/dbraw/zinc/30/58/17/858305817.db2.gz HYIHKHXGYRHKGW-FPOVZHCZSA-N 2 1 392.465 3.986 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000574828120 858308377 /nfs/dbraw/zinc/30/83/77/858308377.db2.gz JLDSVEHCNNOVLD-JXFKEZNVSA-N 2 1 375.532 3.730 20 0 GHADMP Cc1cccc(NC(=O)[C@H](C)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000575097835 858585327 /nfs/dbraw/zinc/58/53/27/858585327.db2.gz PPXKWAMECLTOSJ-KSEOMHKRSA-N 2 1 377.532 3.776 20 0 GHADMP Cc1ccc([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000522097514 858617633 /nfs/dbraw/zinc/61/76/33/858617633.db2.gz GGHJPTWTBGHPHA-FQEVSTJZSA-N 2 1 379.548 3.900 20 0 GHADMP O=C1[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCN1c1ccccc1F ZINC000522134643 858652257 /nfs/dbraw/zinc/65/22/57/858652257.db2.gz JDCQJUQXMUIIPV-OAQYLSRUSA-N 2 1 381.495 3.707 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2C)cc1 ZINC000183676878 858793731 /nfs/dbraw/zinc/79/37/31/858793731.db2.gz ULCKJHHHCMIGRQ-ZWKOTPCHSA-N 2 1 376.504 3.845 20 0 GHADMP COC(=O)[C@@H](c1ccccc1C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000466242157 858806862 /nfs/dbraw/zinc/80/68/62/858806862.db2.gz UIIPDCIVZPPNEA-JOCHJYFZSA-N 2 1 381.520 3.843 20 0 GHADMP COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000466242157 858806870 /nfs/dbraw/zinc/80/68/70/858806870.db2.gz UIIPDCIVZPPNEA-JOCHJYFZSA-N 2 1 381.520 3.843 20 0 GHADMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000557003051 881357213 /nfs/dbraw/zinc/35/72/13/881357213.db2.gz AQYGWCGKWUFTBB-PKTZIBPZSA-N 2 1 385.596 3.997 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000482852185 858906706 /nfs/dbraw/zinc/90/67/06/858906706.db2.gz ACPLOYJHVCVMGZ-LJQANCHMSA-N 2 1 385.577 3.811 20 0 GHADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000479331191 858923369 /nfs/dbraw/zinc/92/33/69/858923369.db2.gz OZSWEJDAWHQVMF-JOCHJYFZSA-N 2 1 380.532 3.988 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482861595 858926225 /nfs/dbraw/zinc/92/62/25/858926225.db2.gz CIPFPJOTDJVQIG-YQQAZPJKSA-N 2 1 389.367 3.976 20 0 GHADMP C[N@H+](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CCCCC1 ZINC000443577035 858968039 /nfs/dbraw/zinc/96/80/39/858968039.db2.gz LPNMAGXBUHJKAB-UHFFFAOYSA-N 2 1 390.597 3.621 20 0 GHADMP C[N@@H+](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CCCCC1 ZINC000443577035 858968044 /nfs/dbraw/zinc/96/80/44/858968044.db2.gz LPNMAGXBUHJKAB-UHFFFAOYSA-N 2 1 390.597 3.621 20 0 GHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)CC2 ZINC000479355078 858980242 /nfs/dbraw/zinc/98/02/42/858980242.db2.gz GHJWBKOWJGLSNO-VGSWGCGISA-N 2 1 396.531 3.702 20 0 GHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)CC2 ZINC000479355078 858980251 /nfs/dbraw/zinc/98/02/51/858980251.db2.gz GHJWBKOWJGLSNO-VGSWGCGISA-N 2 1 396.531 3.702 20 0 GHADMP COCCn1c(C)cc(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C ZINC000443590842 859004228 /nfs/dbraw/zinc/00/42/28/859004228.db2.gz NZRFVNZLUAUIJL-UHFFFAOYSA-N 2 1 389.584 3.522 20 0 GHADMP C[C@@H](c1ccsc1)[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509622489 859013926 /nfs/dbraw/zinc/01/39/26/859013926.db2.gz ZQTZQZUSFQTRCE-NRFANRHFSA-N 2 1 398.620 3.639 20 0 GHADMP COCC[N@@H+](C)Cc1ccnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)c1 ZINC001170331362 881371867 /nfs/dbraw/zinc/37/18/67/881371867.db2.gz UBNCHTLVGPNCNE-WBDAEOGXSA-N 2 1 394.563 3.767 20 0 GHADMP COCC[NH+](C)Cc1ccnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170331362 881371884 /nfs/dbraw/zinc/37/18/84/881371884.db2.gz UBNCHTLVGPNCNE-WBDAEOGXSA-N 2 1 394.563 3.767 20 0 GHADMP COCC[NH+](C)Cc1ccnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170331362 881371905 /nfs/dbraw/zinc/37/19/05/881371905.db2.gz UBNCHTLVGPNCNE-WBDAEOGXSA-N 2 1 394.563 3.767 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000532192859 881373615 /nfs/dbraw/zinc/37/36/15/881373615.db2.gz ZLAZNDNHWWTPPP-ARFHVFGLSA-N 2 1 381.948 3.918 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000532192859 881373633 /nfs/dbraw/zinc/37/36/33/881373633.db2.gz ZLAZNDNHWWTPPP-ARFHVFGLSA-N 2 1 381.948 3.918 20 0 GHADMP COc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1OCc1cccnc1 ZINC000185291908 859068514 /nfs/dbraw/zinc/06/85/14/859068514.db2.gz WMQOAYLTEUZXQP-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000856553008 881381302 /nfs/dbraw/zinc/38/13/02/881381302.db2.gz RTNKJCZMTPBKSB-LJQANCHMSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000856553008 881381319 /nfs/dbraw/zinc/38/13/19/881381319.db2.gz RTNKJCZMTPBKSB-LJQANCHMSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000856553008 881381338 /nfs/dbraw/zinc/38/13/38/881381338.db2.gz RTNKJCZMTPBKSB-LJQANCHMSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000856553008 881381355 /nfs/dbraw/zinc/38/13/55/881381355.db2.gz RTNKJCZMTPBKSB-LJQANCHMSA-N 2 1 377.891 3.979 20 0 GHADMP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000483060729 859119791 /nfs/dbraw/zinc/11/97/91/859119791.db2.gz XEZBOAKNAVDEDQ-CYFREDJKSA-N 2 1 377.532 3.592 20 0 GHADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000483060729 859119795 /nfs/dbraw/zinc/11/97/95/859119795.db2.gz XEZBOAKNAVDEDQ-CYFREDJKSA-N 2 1 377.532 3.592 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185719823 859121583 /nfs/dbraw/zinc/12/15/83/859121583.db2.gz XGUBGMJSQQMVLD-IXDOHACOSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185719823 859121591 /nfs/dbraw/zinc/12/15/91/859121591.db2.gz XGUBGMJSQQMVLD-IXDOHACOSA-N 2 1 375.582 3.978 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000483101824 859138372 /nfs/dbraw/zinc/13/83/72/859138372.db2.gz IWBSQFZPBZKRMX-GGPKGHCWSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483248680 859241227 /nfs/dbraw/zinc/24/12/27/859241227.db2.gz RDXAJRZSPMQKRH-DJKXOVBDSA-N 2 1 376.447 3.908 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483248680 859241232 /nfs/dbraw/zinc/24/12/32/859241232.db2.gz RDXAJRZSPMQKRH-DJKXOVBDSA-N 2 1 376.447 3.908 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C/c3ccccc3OC)C2)ccn1 ZINC000856554614 881400400 /nfs/dbraw/zinc/40/04/00/881400400.db2.gz UOXMVJMDEVLXGK-FGBWHXJSSA-N 2 1 381.520 3.708 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C/c3ccccc3OC)C2)ccn1 ZINC000856554614 881400458 /nfs/dbraw/zinc/40/04/58/881400458.db2.gz UOXMVJMDEVLXGK-FGBWHXJSSA-N 2 1 381.520 3.708 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C/c3ccccc3OC)C2)ccn1 ZINC000856554614 881400621 /nfs/dbraw/zinc/40/06/21/881400621.db2.gz UOXMVJMDEVLXGK-FGBWHXJSSA-N 2 1 381.520 3.708 20 0 GHADMP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000597238410 859370363 /nfs/dbraw/zinc/37/03/63/859370363.db2.gz IJCYXEZIUOGLPS-IFMALSPDSA-N 2 1 376.516 3.544 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000466738616 859415343 /nfs/dbraw/zinc/41/53/43/859415343.db2.gz YRKLCRVDANEAPZ-SFHVURJKSA-N 2 1 386.540 3.929 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000626063240 859437788 /nfs/dbraw/zinc/43/77/88/859437788.db2.gz XBSDNVXRNXIHSO-SFHVURJKSA-N 2 1 383.536 3.914 20 0 GHADMP COc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856558457 881424173 /nfs/dbraw/zinc/42/41/73/881424173.db2.gz IMPKSKAMZFSVFR-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(F)cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856558457 881424187 /nfs/dbraw/zinc/42/41/87/881424187.db2.gz IMPKSKAMZFSVFR-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(F)cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856558457 881424200 /nfs/dbraw/zinc/42/42/00/881424200.db2.gz IMPKSKAMZFSVFR-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP CCC[N@H+](CC(=O)Nc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197915 859493657 /nfs/dbraw/zinc/49/36/57/859493657.db2.gz OOZRINKLKVRMOV-UHFFFAOYSA-N 2 1 399.514 3.552 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197915 859493660 /nfs/dbraw/zinc/49/36/60/859493660.db2.gz OOZRINKLKVRMOV-UHFFFAOYSA-N 2 1 399.514 3.552 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(F)c3F)C2)ccn1 ZINC000856558707 881428765 /nfs/dbraw/zinc/42/87/65/881428765.db2.gz ATDWQVASLZFYII-LJQANCHMSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(F)c3F)C2)ccn1 ZINC000856558707 881428805 /nfs/dbraw/zinc/42/88/05/881428805.db2.gz ATDWQVASLZFYII-LJQANCHMSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)ccn1 ZINC000856558707 881428843 /nfs/dbraw/zinc/42/88/43/881428843.db2.gz ATDWQVASLZFYII-LJQANCHMSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)ccn1 ZINC000856558707 881428924 /nfs/dbraw/zinc/42/89/24/881428924.db2.gz ATDWQVASLZFYII-LJQANCHMSA-N 2 1 375.463 3.853 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H]1C ZINC000483692356 859545206 /nfs/dbraw/zinc/54/52/06/859545206.db2.gz MEGQADZWFLVWNU-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000114475758 859626789 /nfs/dbraw/zinc/62/67/89/859626789.db2.gz YUTYVJJOYSVMSC-SFHVURJKSA-N 2 1 375.557 3.775 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000114475758 859626796 /nfs/dbraw/zinc/62/67/96/859626796.db2.gz YUTYVJJOYSVMSC-SFHVURJKSA-N 2 1 375.557 3.775 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C[C@H]1C ZINC000483816574 859636262 /nfs/dbraw/zinc/63/62/62/859636262.db2.gz JOLQIRZINAWETG-DXIQSLLYSA-N 2 1 386.584 3.726 20 0 GHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459584 859793313 /nfs/dbraw/zinc/79/33/13/859793313.db2.gz AEDJURWYUOKQFB-RBBKRZOGSA-N 2 1 385.596 3.976 20 0 GHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459584 859793319 /nfs/dbraw/zinc/79/33/19/859793319.db2.gz AEDJURWYUOKQFB-RBBKRZOGSA-N 2 1 385.596 3.976 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474315646 859841369 /nfs/dbraw/zinc/84/13/69/859841369.db2.gz WPBHGZWBIXECME-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474315646 859841382 /nfs/dbraw/zinc/84/13/82/859841382.db2.gz WPBHGZWBIXECME-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(Oc4ccc(F)cc4)cc3)C2)CC1 ZINC000602202931 859847850 /nfs/dbraw/zinc/84/78/50/859847850.db2.gz AGICSOIIILFXDO-LJQANCHMSA-N 2 1 397.494 3.516 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000522431295 859850745 /nfs/dbraw/zinc/85/07/45/859850745.db2.gz ZDAZVTRLXFBWEW-HSZRJFAPSA-N 2 1 394.563 3.563 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC001271161392 859874343 /nfs/dbraw/zinc/87/43/43/859874343.db2.gz FDLKSUMZCGYZQH-VWPQPMDRSA-N 2 1 397.950 3.533 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC001271161392 859874348 /nfs/dbraw/zinc/87/43/48/859874348.db2.gz FDLKSUMZCGYZQH-VWPQPMDRSA-N 2 1 397.950 3.533 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(-c3ccccc3F)s1)C2 ZINC000922391434 859889438 /nfs/dbraw/zinc/88/94/38/859889438.db2.gz WHYAVQXYYWHMHH-XCJLJZCSSA-N 2 1 389.540 3.519 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)CC2 ZINC000615441556 859935931 /nfs/dbraw/zinc/93/59/31/859935931.db2.gz WHSCKZUYOGLVGK-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3nc4ccc(F)cc4s3)cc2)CC1 ZINC000428849088 859943084 /nfs/dbraw/zinc/94/30/84/859943084.db2.gz GWUZPALQGNKPST-UHFFFAOYSA-N 2 1 385.508 3.682 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000765377419 859943643 /nfs/dbraw/zinc/94/36/43/859943643.db2.gz GJGOIFQSBGIMFP-GUDVDZBRSA-N 2 1 376.545 3.739 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001127859556 859967067 /nfs/dbraw/zinc/96/70/67/859967067.db2.gz KDWSTKPICDAVPX-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765432461 859968052 /nfs/dbraw/zinc/96/80/52/859968052.db2.gz VABBCYHIYPEJOZ-FIKGOQFSSA-N 2 1 393.597 3.752 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765431025 859971667 /nfs/dbraw/zinc/97/16/67/859971667.db2.gz DGEMUAVZFNRNHM-CBGDNZLLSA-N 2 1 393.597 3.752 20 0 GHADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c2C1 ZINC000727705393 860197694 /nfs/dbraw/zinc/19/76/94/860197694.db2.gz ROMIPXOEVDVLKX-INIZCTEOSA-N 2 1 376.614 3.921 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718664 860286307 /nfs/dbraw/zinc/28/63/07/860286307.db2.gz IIFJFJFKWSBWRV-UYWIDEMCSA-N 2 1 398.551 3.844 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(Br)c3)C2)CC1 ZINC000532224366 881525025 /nfs/dbraw/zinc/52/50/25/881525025.db2.gz MTHRMZFANKOCEI-VQIMIIECSA-N 2 1 380.374 3.610 20 0 GHADMP Oc1ccc(Br)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904474936 860466427 /nfs/dbraw/zinc/46/64/27/860466427.db2.gz MTYOBFJMVZCRMX-PKOBYXMFSA-N 2 1 389.293 3.500 20 0 GHADMP COc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1OC ZINC000904476585 860468632 /nfs/dbraw/zinc/46/86/32/860468632.db2.gz UMOXSJPBIKHCHC-HRAATJIYSA-N 2 1 388.895 3.703 20 0 GHADMP CCCn1c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccccc21 ZINC000904477023 860468743 /nfs/dbraw/zinc/46/87/43/860468743.db2.gz WNKZBTSXTBVKKF-WMZHIEFXSA-N 2 1 376.504 3.792 20 0 GHADMP C[C@H]1CC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168038933 860506604 /nfs/dbraw/zinc/50/66/04/860506604.db2.gz AHYSEESYZRKDJL-BLKABHOGSA-N 2 1 391.559 3.709 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000484934589 860517533 /nfs/dbraw/zinc/51/75/33/860517533.db2.gz ICJMJKKEXKBNGR-FQEVSTJZSA-N 2 1 389.609 3.547 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000484934589 860517538 /nfs/dbraw/zinc/51/75/38/860517538.db2.gz ICJMJKKEXKBNGR-FQEVSTJZSA-N 2 1 389.609 3.547 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(OC(C)(C)C)n3)C2)ccn1 ZINC000856585250 881556623 /nfs/dbraw/zinc/55/66/23/881556623.db2.gz BORWGBBBLXEXOO-OAQYLSRUSA-N 2 1 398.551 3.759 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(OC(C)(C)C)n3)C2)ccn1 ZINC000856585250 881556631 /nfs/dbraw/zinc/55/66/31/881556631.db2.gz BORWGBBBLXEXOO-OAQYLSRUSA-N 2 1 398.551 3.759 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(OC(C)(C)C)n3)C2)ccn1 ZINC000856585250 881556642 /nfs/dbraw/zinc/55/66/42/881556642.db2.gz BORWGBBBLXEXOO-OAQYLSRUSA-N 2 1 398.551 3.759 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCc3ccccc3OC)C2)ccn1 ZINC000856585995 881556831 /nfs/dbraw/zinc/55/68/31/881556831.db2.gz OIVPTAJOQOULOA-QFIPXVFZSA-N 2 1 383.536 3.628 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCc3ccccc3OC)C2)ccn1 ZINC000856585995 881556843 /nfs/dbraw/zinc/55/68/43/881556843.db2.gz OIVPTAJOQOULOA-QFIPXVFZSA-N 2 1 383.536 3.628 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCc3ccccc3OC)C2)ccn1 ZINC000856585995 881556855 /nfs/dbraw/zinc/55/68/55/881556855.db2.gz OIVPTAJOQOULOA-QFIPXVFZSA-N 2 1 383.536 3.628 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000054511605 860599869 /nfs/dbraw/zinc/59/98/69/860599869.db2.gz LYVVCCHVIHLSIR-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000054511605 860599877 /nfs/dbraw/zinc/59/98/77/860599877.db2.gz LYVVCCHVIHLSIR-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000054511605 860599885 /nfs/dbraw/zinc/59/98/85/860599885.db2.gz LYVVCCHVIHLSIR-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000509029883 860623677 /nfs/dbraw/zinc/62/36/77/860623677.db2.gz GEQYHDCWQBJJRM-PWIZWCRZSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000509029883 860623678 /nfs/dbraw/zinc/62/36/78/860623678.db2.gz GEQYHDCWQBJJRM-PWIZWCRZSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000509029883 860623681 /nfs/dbraw/zinc/62/36/81/860623681.db2.gz GEQYHDCWQBJJRM-PWIZWCRZSA-N 2 1 394.991 3.705 20 0 GHADMP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000116435722 860624946 /nfs/dbraw/zinc/62/49/46/860624946.db2.gz NFSGTPUIBIWEIN-AABGKKOBSA-N 2 1 386.584 3.632 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(-c4ccccc4)on3)C2)ccn1 ZINC000856591466 881562714 /nfs/dbraw/zinc/56/27/14/881562714.db2.gz AICMDVDZQXSPCN-QFIPXVFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(-c4ccccc4)on3)C2)ccn1 ZINC000856591466 881562732 /nfs/dbraw/zinc/56/27/32/881562732.db2.gz AICMDVDZQXSPCN-QFIPXVFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)on3)C2)ccn1 ZINC000856591466 881562741 /nfs/dbraw/zinc/56/27/41/881562741.db2.gz AICMDVDZQXSPCN-QFIPXVFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)ccn1 ZINC000856591466 881562754 /nfs/dbraw/zinc/56/27/54/881562754.db2.gz AICMDVDZQXSPCN-QFIPXVFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3cccc(F)c3)C2)ccn1 ZINC000856598503 881572573 /nfs/dbraw/zinc/57/25/73/881572573.db2.gz IIZYWBPGMUCRGU-QFIPXVFZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3cccc(F)c3)C2)ccn1 ZINC000856598503 881572590 /nfs/dbraw/zinc/57/25/90/881572590.db2.gz IIZYWBPGMUCRGU-QFIPXVFZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3cccc(F)c3)C2)ccn1 ZINC000856598503 881572603 /nfs/dbraw/zinc/57/26/03/881572603.db2.gz IIZYWBPGMUCRGU-QFIPXVFZSA-N 2 1 387.499 3.593 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000429019758 860713111 /nfs/dbraw/zinc/71/31/11/860713111.db2.gz LOEMRXDRPRYQQK-DEOSSOPVSA-N 2 1 393.531 3.622 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000429019758 860713116 /nfs/dbraw/zinc/71/31/16/860713116.db2.gz LOEMRXDRPRYQQK-DEOSSOPVSA-N 2 1 393.531 3.622 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000429019758 860713121 /nfs/dbraw/zinc/71/31/21/860713121.db2.gz LOEMRXDRPRYQQK-DEOSSOPVSA-N 2 1 393.531 3.622 20 0 GHADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856600891 881575503 /nfs/dbraw/zinc/57/55/03/881575503.db2.gz YMCKFMCQDVTDKV-HSZRJFAPSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856600891 881575512 /nfs/dbraw/zinc/57/55/12/881575512.db2.gz YMCKFMCQDVTDKV-HSZRJFAPSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856600891 881575518 /nfs/dbraw/zinc/57/55/18/881575518.db2.gz YMCKFMCQDVTDKV-HSZRJFAPSA-N 2 1 396.535 3.534 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000489824430 860762650 /nfs/dbraw/zinc/76/26/50/860762650.db2.gz DELZFUGNQLHTQU-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CCC(C[NH2+]Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1 ZINC000603513290 860782686 /nfs/dbraw/zinc/78/26/86/860782686.db2.gz YZYNBADIERQIDN-UHFFFAOYSA-N 2 1 386.565 3.958 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869063 860803462 /nfs/dbraw/zinc/80/34/62/860803462.db2.gz LIJDBBVTIRWWPS-XQBPLPMBSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869063 860803467 /nfs/dbraw/zinc/80/34/67/860803467.db2.gz LIJDBBVTIRWWPS-XQBPLPMBSA-N 2 1 375.520 3.971 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606239 881582246 /nfs/dbraw/zinc/58/22/46/881582246.db2.gz JVMZFCQTKDZNHP-MAUKXSAKSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606239 881582253 /nfs/dbraw/zinc/58/22/53/881582253.db2.gz JVMZFCQTKDZNHP-MAUKXSAKSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606239 881582261 /nfs/dbraw/zinc/58/22/61/881582261.db2.gz JVMZFCQTKDZNHP-MAUKXSAKSA-N 2 1 386.367 3.959 20 0 GHADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000532231483 881583238 /nfs/dbraw/zinc/58/32/38/881583238.db2.gz VVCSYZAXKRMXQZ-DENIHFKCSA-N 2 1 379.548 3.852 20 0 GHADMP Cc1cnc(CC[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(C)c1 ZINC000856606985 881585722 /nfs/dbraw/zinc/58/57/22/881585722.db2.gz RUWNGWNZKYGSLS-QFIPXVFZSA-N 2 1 382.552 3.629 20 0 GHADMP Cc1cnc(CC[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(C)c1 ZINC000856606985 881585730 /nfs/dbraw/zinc/58/57/30/881585730.db2.gz RUWNGWNZKYGSLS-QFIPXVFZSA-N 2 1 382.552 3.629 20 0 GHADMP Cc1cnc(CC[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(C)c1 ZINC000856606985 881585737 /nfs/dbraw/zinc/58/57/37/881585737.db2.gz RUWNGWNZKYGSLS-QFIPXVFZSA-N 2 1 382.552 3.629 20 0 GHADMP CCC[N@H+](C[C@@H](O)c1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477313 881587149 /nfs/dbraw/zinc/58/71/49/881587149.db2.gz QCJDZZFMPNRJDI-OAQYLSRUSA-N 2 1 386.515 3.647 20 0 GHADMP CCC[N@@H+](C[C@@H](O)c1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477313 881587163 /nfs/dbraw/zinc/58/71/63/881587163.db2.gz QCJDZZFMPNRJDI-OAQYLSRUSA-N 2 1 386.515 3.647 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199461 881591378 /nfs/dbraw/zinc/59/13/78/881591378.db2.gz ZJOXSHWTRVGSKM-IZZBFERCSA-N 2 1 398.551 3.671 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000603610565 860900571 /nfs/dbraw/zinc/90/05/71/860900571.db2.gz DKGBCYWNCAURHO-LJQANCHMSA-N 2 1 388.600 3.878 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000600125201 861066252 /nfs/dbraw/zinc/06/62/52/861066252.db2.gz ZJUHZIIQUAYQOJ-SFHVURJKSA-N 2 1 381.520 3.923 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000600125200 861066732 /nfs/dbraw/zinc/06/67/32/861066732.db2.gz ZJUHZIIQUAYQOJ-GOSISDBHSA-N 2 1 381.520 3.923 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)n1 ZINC000600133170 861090064 /nfs/dbraw/zinc/09/00/64/861090064.db2.gz TXOXYBSCVUXVDU-UHFFFAOYSA-N 2 1 381.520 3.780 20 0 GHADMP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1c1ccccc1 ZINC000499210052 881623096 /nfs/dbraw/zinc/62/30/96/881623096.db2.gz FUCHWIQLITUAOO-GNLZIIPMSA-N 2 1 389.543 3.967 20 0 GHADMP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1c1ccccc1 ZINC000499210052 881623098 /nfs/dbraw/zinc/62/30/98/881623098.db2.gz FUCHWIQLITUAOO-GNLZIIPMSA-N 2 1 389.543 3.967 20 0 GHADMP CC[C@@H]1[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048927 863107207 /nfs/dbraw/zinc/10/72/07/863107207.db2.gz YJKOYGOYPSOSDH-RANWGYSASA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@@H]1[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048927 863107220 /nfs/dbraw/zinc/10/72/20/863107220.db2.gz YJKOYGOYPSOSDH-RANWGYSASA-N 2 1 383.580 3.951 20 0 GHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H]1C ZINC000444040695 863200151 /nfs/dbraw/zinc/20/01/51/863200151.db2.gz ZDZLJJGVNDKTEM-IEBWSBKVSA-N 2 1 390.597 3.572 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H]1C ZINC000444040695 863200159 /nfs/dbraw/zinc/20/01/59/863200159.db2.gz ZDZLJJGVNDKTEM-IEBWSBKVSA-N 2 1 390.597 3.572 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000532269944 881641403 /nfs/dbraw/zinc/64/14/03/881641403.db2.gz IJQKNKRTLKBKFG-RTBURBONSA-N 2 1 397.346 3.737 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCc2cccs2)cc1 ZINC000183142281 863484540 /nfs/dbraw/zinc/48/45/40/863484540.db2.gz LYUHRTHPHFQFDM-JKSUJKDBSA-N 2 1 382.533 3.640 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2F)cc1 ZINC000183156639 863491652 /nfs/dbraw/zinc/49/16/52/863491652.db2.gz RXWGUUNWCRRDCE-KKSFZXQISA-N 2 1 383.467 3.548 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000665554063 863565759 /nfs/dbraw/zinc/56/57/59/863565759.db2.gz FFIFVCBJMZFNPC-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000665554063 863565766 /nfs/dbraw/zinc/56/57/66/863565766.db2.gz FFIFVCBJMZFNPC-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000665554063 863565778 /nfs/dbraw/zinc/56/57/78/863565778.db2.gz FFIFVCBJMZFNPC-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CC([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051829 863665800 /nfs/dbraw/zinc/66/58/00/863665800.db2.gz JCRLVQROBAHCBU-GKUMMSIHSA-N 2 1 384.564 3.554 20 0 GHADMP C[C@H]1CC([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051829 863665809 /nfs/dbraw/zinc/66/58/09/863665809.db2.gz JCRLVQROBAHCBU-GKUMMSIHSA-N 2 1 384.564 3.554 20 0 GHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000554215314 863908936 /nfs/dbraw/zinc/90/89/36/863908936.db2.gz GPTVJCZKAJKNSA-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP COc1cc[nH+]c(N2CCN(C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001168056084 864107408 /nfs/dbraw/zinc/10/74/08/864107408.db2.gz CHASTRZWUFNYLQ-PMACEKPBSA-N 2 1 394.563 3.654 20 0 GHADMP Cc1cnc(O[C@@H]2CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056328 864155499 /nfs/dbraw/zinc/15/54/99/864155499.db2.gz FLCVVGLMCILJNR-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cnc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056328 864155507 /nfs/dbraw/zinc/15/55/07/864155507.db2.gz FLCVVGLMCILJNR-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056328 864155537 /nfs/dbraw/zinc/15/55/37/864155537.db2.gz FLCVVGLMCILJNR-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475124703 864261228 /nfs/dbraw/zinc/26/12/28/864261228.db2.gz ZDQLGMUYIMTEHM-GOSISDBHSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480223682 864294570 /nfs/dbraw/zinc/29/45/70/864294570.db2.gz IOLZKGSHDAPCNQ-FQEVSTJZSA-N 3 1 381.564 3.726 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000480223682 864294585 /nfs/dbraw/zinc/29/45/85/864294585.db2.gz IOLZKGSHDAPCNQ-FQEVSTJZSA-N 3 1 381.564 3.726 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@@H+](C)Cc3ccc(F)cc3)ccc21 ZINC000455944813 864519601 /nfs/dbraw/zinc/51/96/01/864519601.db2.gz WAVPRGYJUDEGEZ-NRFANRHFSA-N 2 1 384.499 3.628 20 0 GHADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](c3ncc4n3CCCC4)C1)O[C@@H](C)C2 ZINC000554558745 864549212 /nfs/dbraw/zinc/54/92/12/864549212.db2.gz SYQSKRHKJPLOSQ-IRXDYDNUSA-N 2 1 381.520 3.931 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930999 864579578 /nfs/dbraw/zinc/57/95/78/864579578.db2.gz KIWLUECHKMBONB-QPPBQGQZSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930999 864579583 /nfs/dbraw/zinc/57/95/83/864579583.db2.gz KIWLUECHKMBONB-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930999 864579587 /nfs/dbraw/zinc/57/95/87/864579587.db2.gz KIWLUECHKMBONB-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000163930999 864579593 /nfs/dbraw/zinc/57/95/93/864579593.db2.gz KIWLUECHKMBONB-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163966574 864582206 /nfs/dbraw/zinc/58/22/06/864582206.db2.gz QPTIMKKQSISPSJ-DVECYGJZSA-N 2 1 398.595 3.775 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163966574 864582219 /nfs/dbraw/zinc/58/22/19/864582219.db2.gz QPTIMKKQSISPSJ-DVECYGJZSA-N 2 1 398.595 3.775 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000164203369 864599501 /nfs/dbraw/zinc/59/95/01/864599501.db2.gz LKJIDLBVCLDWRP-SOLBZPMBSA-N 2 1 375.582 3.744 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000166045946 864709001 /nfs/dbraw/zinc/70/90/01/864709001.db2.gz XFOAYSRIFIEJLN-UHFFFAOYSA-N 2 1 385.596 3.710 20 0 GHADMP C[C@@H](CCN1CCC[N@H+](C2CCCC2)CC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000178308140 864767206 /nfs/dbraw/zinc/76/72/06/864767206.db2.gz KXSAOFVRXLTELT-QFIPXVFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[C@@H](CCN1CCC[NH+](C2CCCC2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178308140 864767216 /nfs/dbraw/zinc/76/72/16/864767216.db2.gz KXSAOFVRXLTELT-QFIPXVFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[C@@H](CCN1CCC[NH+](C2CCCC2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178308140 864767224 /nfs/dbraw/zinc/76/72/24/864767224.db2.gz KXSAOFVRXLTELT-QFIPXVFZSA-N 2 1 390.660 3.666 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000132932236 881814482 /nfs/dbraw/zinc/81/44/82/881814482.db2.gz ZFZZWVVFXUEXBT-IBGZPJMESA-N 2 1 390.572 3.666 20 0 GHADMP c1cn(Cc2ccccc2)nc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000671194751 864969761 /nfs/dbraw/zinc/96/97/61/864969761.db2.gz XYBBITQFQKHNQQ-UHFFFAOYSA-N 2 1 390.531 3.696 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)(C)c1ccccc1 ZINC000480619785 864978773 /nfs/dbraw/zinc/97/87/73/864978773.db2.gz QDLSUTHHKQPOKS-LJQANCHMSA-N 2 1 379.548 3.530 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480620383 864982264 /nfs/dbraw/zinc/98/22/64/864982264.db2.gz ZMIJLXMVBWALAU-QPPBQGQZSA-N 2 1 381.564 3.560 20 0 GHADMP Brc1cccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000655715304 865076699 /nfs/dbraw/zinc/07/66/99/865076699.db2.gz JGNBXVSQYAMAOK-LJQANCHMSA-N 2 1 393.369 3.714 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC000171387288 865236188 /nfs/dbraw/zinc/23/61/88/865236188.db2.gz MJDRXRNTYHSVDU-MSOLQXFVSA-N 2 1 383.536 3.806 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CCC3(CCCC3)CC2)c1 ZINC000554978045 865262316 /nfs/dbraw/zinc/26/23/16/865262316.db2.gz CEMDTYFSRHFSJU-UHFFFAOYSA-N 2 1 399.579 3.940 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000554980427 865266762 /nfs/dbraw/zinc/26/67/62/865266762.db2.gz ATAXWQQJSYQDIO-HXUWFJFHSA-N 2 1 377.536 3.669 20 0 GHADMP Brc1ccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000301293677 865268104 /nfs/dbraw/zinc/26/81/04/865268104.db2.gz WGCQHPYFOVBAOY-CQSZACIVSA-N 2 1 390.325 3.910 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)C[C@H]3CCC[N@@H+](C)C3)c2c1C ZINC000301300372 865271452 /nfs/dbraw/zinc/27/14/52/865271452.db2.gz QUWZTSBXVDFXOH-KRWDZBQOSA-N 2 1 387.597 3.682 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)C[C@H]3CCC[N@H+](C)C3)c2c1C ZINC000301300372 865271464 /nfs/dbraw/zinc/27/14/64/865271464.db2.gz QUWZTSBXVDFXOH-KRWDZBQOSA-N 2 1 387.597 3.682 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)C[C@H]3CCC[N@@H+](C)C3)c2c1C ZINC000301300372 865271476 /nfs/dbraw/zinc/27/14/76/865271476.db2.gz QUWZTSBXVDFXOH-KRWDZBQOSA-N 2 1 387.597 3.682 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000480773356 865272084 /nfs/dbraw/zinc/27/20/84/865272084.db2.gz XAKZGUXPUUIPIX-IFMALSPDSA-N 2 1 387.637 3.848 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)c2c1C ZINC000301610466 865453496 /nfs/dbraw/zinc/45/34/96/865453496.db2.gz CMKZSUOGXZXIMB-RHSMWYFYSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)c2c1C ZINC000301610466 865453504 /nfs/dbraw/zinc/45/35/04/865453504.db2.gz CMKZSUOGXZXIMB-RHSMWYFYSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)c2c1C ZINC000301610466 865453510 /nfs/dbraw/zinc/45/35/10/865453510.db2.gz CMKZSUOGXZXIMB-RHSMWYFYSA-N 2 1 387.597 3.680 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000667779909 865516821 /nfs/dbraw/zinc/51/68/21/865516821.db2.gz LLWFHPKDFNTJCW-HXUWFJFHSA-N 2 1 380.536 3.830 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000608636417 865518786 /nfs/dbraw/zinc/51/87/86/865518786.db2.gz NCOUNDOMDAQNBV-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608636417 865518793 /nfs/dbraw/zinc/51/87/93/865518793.db2.gz NCOUNDOMDAQNBV-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608636417 865518804 /nfs/dbraw/zinc/51/88/04/865518804.db2.gz NCOUNDOMDAQNBV-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248397284 865591747 /nfs/dbraw/zinc/59/17/47/865591747.db2.gz HUEWMWQXJXKQHY-CJRSTVEYSA-N 2 1 395.591 3.668 20 0 GHADMP Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000480974145 865620106 /nfs/dbraw/zinc/62/01/06/865620106.db2.gz WJCOADRXELJKGK-UHFFFAOYSA-N 2 1 381.520 3.999 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000555210324 865725228 /nfs/dbraw/zinc/72/52/28/865725228.db2.gz BPZFQUJESDRQOB-QFIPXVFZSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(C[N@@H+]1CCC=C(c2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000671253467 865734261 /nfs/dbraw/zinc/73/42/61/865734261.db2.gz YQJMEERUNBPBAF-UHFFFAOYSA-N 2 1 389.543 3.688 20 0 GHADMP O=C(C[N@H+]1CCC=C(c2ccccc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000671253467 865734267 /nfs/dbraw/zinc/73/42/67/865734267.db2.gz YQJMEERUNBPBAF-UHFFFAOYSA-N 2 1 389.543 3.688 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121078257 881908862 /nfs/dbraw/zinc/90/88/62/881908862.db2.gz FLTPSSOJKSOJIQ-LJQANCHMSA-N 2 1 384.568 3.520 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000667819491 865831252 /nfs/dbraw/zinc/83/12/52/865831252.db2.gz QDYLUUWEOJWPKW-UNMCSNQZSA-N 2 1 378.520 3.664 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cn1 ZINC000856994596 881917143 /nfs/dbraw/zinc/91/71/43/881917143.db2.gz CNEQGAVLUFVBHL-IBGZPJMESA-N 2 1 375.476 3.637 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)cn1 ZINC000856994596 881917150 /nfs/dbraw/zinc/91/71/50/881917150.db2.gz CNEQGAVLUFVBHL-IBGZPJMESA-N 2 1 375.476 3.637 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000481181589 865940318 /nfs/dbraw/zinc/94/03/18/865940318.db2.gz ZTBNKNDZBDUMKW-VEXUSMLFSA-N 2 1 391.559 3.680 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000481181589 865940323 /nfs/dbraw/zinc/94/03/23/865940323.db2.gz ZTBNKNDZBDUMKW-VEXUSMLFSA-N 2 1 391.559 3.680 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481181887 865942776 /nfs/dbraw/zinc/94/27/76/865942776.db2.gz OEBFYMZGFRXXMA-SELNLUPBSA-N 2 1 397.538 3.845 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481181887 865942786 /nfs/dbraw/zinc/94/27/86/865942786.db2.gz OEBFYMZGFRXXMA-SELNLUPBSA-N 2 1 397.538 3.845 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481185832 865953431 /nfs/dbraw/zinc/95/34/31/865953431.db2.gz FKYMWGXDZSRICB-TXTKFYIRSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481185832 865953436 /nfs/dbraw/zinc/95/34/36/865953436.db2.gz FKYMWGXDZSRICB-TXTKFYIRSA-N 2 1 379.548 3.706 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000175838562 866041838 /nfs/dbraw/zinc/04/18/38/866041838.db2.gz DMFHCSDZUOYFQL-UWJYYQICSA-N 2 1 381.524 3.512 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000667846804 866089921 /nfs/dbraw/zinc/08/99/21/866089921.db2.gz NQQOSKCQUNYJSZ-YMPZKCBVSA-N 2 1 392.547 3.828 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(Br)c2)c2cccs2)CC1 ZINC000620437287 866754103 /nfs/dbraw/zinc/75/41/03/866754103.db2.gz BYAUEKZNUWOHKB-QGZVFWFLSA-N 2 1 394.382 3.589 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc2c1OCCO2 ZINC000509450790 866756791 /nfs/dbraw/zinc/75/67/91/866756791.db2.gz SGCQAJXCHGAAJV-JOCHJYFZSA-N 2 1 396.531 3.857 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc2c1OCCO2 ZINC000509450790 866756795 /nfs/dbraw/zinc/75/67/95/866756795.db2.gz SGCQAJXCHGAAJV-JOCHJYFZSA-N 2 1 396.531 3.857 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000428367283 866805153 /nfs/dbraw/zinc/80/51/53/866805153.db2.gz PORNXYNVOCWUNG-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000857174589 882086146 /nfs/dbraw/zinc/08/61/46/882086146.db2.gz JTHZMKNOKSCJHM-YUXAGFNASA-N 2 1 383.580 3.879 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857174589 882086162 /nfs/dbraw/zinc/08/61/62/882086162.db2.gz JTHZMKNOKSCJHM-YUXAGFNASA-N 2 1 383.580 3.879 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000857174589 882086179 /nfs/dbraw/zinc/08/61/79/882086179.db2.gz JTHZMKNOKSCJHM-YUXAGFNASA-N 2 1 383.580 3.879 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534793533 867501201 /nfs/dbraw/zinc/50/12/01/867501201.db2.gz OCYZZFPAXASYRO-QGZVFWFLSA-N 2 1 387.749 3.790 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)cc2)C[C@H](C)O1 ZINC000534798614 867529489 /nfs/dbraw/zinc/52/94/89/867529489.db2.gz OCRALWBUKYDFAB-PHXJMUFTSA-N 2 1 384.564 3.733 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479334073 867608533 /nfs/dbraw/zinc/60/85/33/867608533.db2.gz XRTNSRMPSFGRIW-FQEVSTJZSA-N 2 1 394.401 3.834 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523645306 867682245 /nfs/dbraw/zinc/68/22/45/867682245.db2.gz ONAPYBOEZZFPQZ-ICSRJNTNSA-N 2 1 390.572 3.536 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479465678 867811168 /nfs/dbraw/zinc/81/11/68/867811168.db2.gz XKRGKMNUFRNBIQ-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000429541758 882134223 /nfs/dbraw/zinc/13/42/23/882134223.db2.gz PMHVLNYHFXNTCA-ISJGIBHGSA-N 2 1 396.575 3.878 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)C[C@H](C)O1 ZINC000535034737 868005639 /nfs/dbraw/zinc/00/56/39/868005639.db2.gz CPKZQOJMSRTORV-KDURUIRLSA-N 2 1 396.535 3.590 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)C[C@H](C)O1 ZINC000535034737 868005659 /nfs/dbraw/zinc/00/56/59/868005659.db2.gz CPKZQOJMSRTORV-KDURUIRLSA-N 2 1 396.535 3.590 20 0 GHADMP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000535083097 868070135 /nfs/dbraw/zinc/07/01/35/868070135.db2.gz ZWRUDWPAZKOULI-UHFFFAOYSA-N 2 1 398.551 3.601 20 0 GHADMP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535083097 868070185 /nfs/dbraw/zinc/07/01/85/868070185.db2.gz ZWRUDWPAZKOULI-UHFFFAOYSA-N 2 1 398.551 3.601 20 0 GHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000523849726 868088039 /nfs/dbraw/zinc/08/80/39/868088039.db2.gz CJWXWHFEBJVTCV-XJKSGUPXSA-N 2 1 389.462 3.868 20 0 GHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000156211464 868288743 /nfs/dbraw/zinc/28/87/43/868288743.db2.gz DXRSASRGEUIJPF-ROUUACIJSA-N 2 1 389.565 3.619 20 0 GHADMP C[C@H](CC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156225762 868294246 /nfs/dbraw/zinc/29/42/46/868294246.db2.gz RMJUSDNPWNFIKY-LGVFNWMJSA-N 2 1 380.580 3.792 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157396489 868644431 /nfs/dbraw/zinc/64/44/31/868644431.db2.gz SRUCTNWFXFNHIP-KRWDZBQOSA-N 2 1 379.932 3.628 20 0 GHADMP Cc1[nH+]ccn1CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457848469 868862438 /nfs/dbraw/zinc/86/24/38/868862438.db2.gz QQCRFXBTBXMBMQ-QHCPKHFHSA-N 2 1 394.563 3.875 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+](C)C ZINC000158107703 868862437 /nfs/dbraw/zinc/86/24/37/868862437.db2.gz KADRNHKMMQPOBU-HXUWFJFHSA-N 2 1 392.613 3.723 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC2(CCCC2)C1 ZINC000445871053 869100390 /nfs/dbraw/zinc/10/03/90/869100390.db2.gz HTODGNKSBNKGIH-FQEVSTJZSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000487519908 869338012 /nfs/dbraw/zinc/33/80/12/869338012.db2.gz RXNNPPHWJNUSMR-AVRDEDQJSA-N 2 1 380.536 3.780 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000539861848 869913997 /nfs/dbraw/zinc/91/39/97/869913997.db2.gz FPCVFYAYVQKFTM-KDURUIRLSA-N 2 1 382.552 3.788 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000539861848 869914005 /nfs/dbraw/zinc/91/40/05/869914005.db2.gz FPCVFYAYVQKFTM-KDURUIRLSA-N 2 1 382.552 3.788 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000539861848 869914013 /nfs/dbraw/zinc/91/40/13/869914013.db2.gz FPCVFYAYVQKFTM-KDURUIRLSA-N 2 1 382.552 3.788 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000462740058 869997122 /nfs/dbraw/zinc/99/71/22/869997122.db2.gz REPZQIMPTYWLFY-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[C@@H](c2ccccc2)C1 ZINC000462791207 870085801 /nfs/dbraw/zinc/08/58/01/870085801.db2.gz RKFVHDNQLAHWMY-CJRSTVEYSA-N 2 1 385.596 3.550 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000462798374 870114662 /nfs/dbraw/zinc/11/46/62/870114662.db2.gz KVFOYJBVPCYATB-KMDXXIMOSA-N 2 1 385.596 3.509 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1csc(-c2ccccc2F)n1 ZINC000462808214 870133745 /nfs/dbraw/zinc/13/37/45/870133745.db2.gz OGKZPLOUUPGOCO-CVEARBPZSA-N 2 1 377.529 3.837 20 0 GHADMP C[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000446716094 870248459 /nfs/dbraw/zinc/24/84/59/870248459.db2.gz XHZCRBLDVHGBNN-RUZDIDTESA-N 2 1 391.559 3.562 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000461472113 870258080 /nfs/dbraw/zinc/25/80/80/870258080.db2.gz KJOPDDYYTXVRSU-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000461472113 870258092 /nfs/dbraw/zinc/25/80/92/870258092.db2.gz KJOPDDYYTXVRSU-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP CSc1ccc(F)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1Br ZINC001205591987 870301214 /nfs/dbraw/zinc/30/12/14/870301214.db2.gz PHTLKASHQKNLQD-OAHLLOKOSA-N 2 1 379.314 3.963 20 0 GHADMP CSc1ccc(F)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1Br ZINC001205591987 870301225 /nfs/dbraw/zinc/30/12/25/870301225.db2.gz PHTLKASHQKNLQD-OAHLLOKOSA-N 2 1 379.314 3.963 20 0 GHADMP C[C@@H](CCc1ccccc1F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248152652 870302439 /nfs/dbraw/zinc/30/24/39/870302439.db2.gz QXKLLUWGWVJGIH-PGRDOPGGSA-N 2 1 397.538 3.634 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nc2ccc(Cl)cc2n1C ZINC000248428778 870411925 /nfs/dbraw/zinc/41/19/25/870411925.db2.gz AWISTKDPBIOTOE-HNAYVOBHSA-N 2 1 398.938 3.644 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nc2ccc(Cl)cc2n1C ZINC000248428778 870411934 /nfs/dbraw/zinc/41/19/34/870411934.db2.gz AWISTKDPBIOTOE-HNAYVOBHSA-N 2 1 398.938 3.644 20 0 GHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000248452489 870429875 /nfs/dbraw/zinc/42/98/75/870429875.db2.gz PUEYUXYVGYXSFH-DVECYGJZSA-N 2 1 394.563 3.674 20 0 GHADMP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000462942643 870472892 /nfs/dbraw/zinc/47/28/92/870472892.db2.gz GCAHYJONIDHASN-PXNSSMCTSA-N 2 1 383.536 3.605 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248548635 870485197 /nfs/dbraw/zinc/48/51/97/870485197.db2.gz FPRJZPBGGTWPEI-QTGUNEKASA-N 2 1 382.548 3.822 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+]([C@H](C)c2cnccn2)CC1)[C@H](C)c1cnccn1 ZINC000248619823 870547064 /nfs/dbraw/zinc/54/70/64/870547064.db2.gz MDVMBJXLAVHUIW-RTBURBONSA-N 2 1 382.556 3.903 20 0 GHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000538752139 870569581 /nfs/dbraw/zinc/56/95/81/870569581.db2.gz LGOJQNOLURMOTI-INIZCTEOSA-N 2 1 391.353 3.889 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000538752139 870569598 /nfs/dbraw/zinc/56/95/98/870569598.db2.gz LGOJQNOLURMOTI-INIZCTEOSA-N 2 1 391.353 3.889 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000538752139 870569609 /nfs/dbraw/zinc/56/96/09/870569609.db2.gz LGOJQNOLURMOTI-INIZCTEOSA-N 2 1 391.353 3.889 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000538752139 870569622 /nfs/dbraw/zinc/56/96/22/870569622.db2.gz LGOJQNOLURMOTI-INIZCTEOSA-N 2 1 391.353 3.889 20 0 GHADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC001192744568 870626637 /nfs/dbraw/zinc/62/66/37/870626637.db2.gz UQQPJEGEJSKILS-UHFFFAOYSA-N 2 1 384.427 3.508 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2nc3cc(F)ccc3n2C)CC[N@@H+]1Cc1ccccc1 ZINC000540170783 870655903 /nfs/dbraw/zinc/65/59/03/870655903.db2.gz WLVJIRNPBVOXGD-FXAWDEMLSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2nc3cc(F)ccc3n2C)CC[N@H+]1Cc1ccccc1 ZINC000540170783 870655907 /nfs/dbraw/zinc/65/59/07/870655907.db2.gz WLVJIRNPBVOXGD-FXAWDEMLSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000540182806 870698805 /nfs/dbraw/zinc/69/88/05/870698805.db2.gz TYAFPGRZUVMBRC-QFBILLFUSA-N 2 1 397.485 3.573 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540182806 870698810 /nfs/dbraw/zinc/69/88/10/870698810.db2.gz TYAFPGRZUVMBRC-QFBILLFUSA-N 2 1 397.485 3.573 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168833622 870890411 /nfs/dbraw/zinc/89/04/11/870890411.db2.gz JWEVJUNJEGTABH-QFBILLFUSA-N 2 1 391.531 3.559 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000463126124 870936884 /nfs/dbraw/zinc/93/68/84/870936884.db2.gz YHSNEVCHMBLGFQ-KOVSNXQUSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000463126124 870936892 /nfs/dbraw/zinc/93/68/92/870936892.db2.gz YHSNEVCHMBLGFQ-KOVSNXQUSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)C1 ZINC000463126124 870936900 /nfs/dbraw/zinc/93/69/00/870936900.db2.gz YHSNEVCHMBLGFQ-KOVSNXQUSA-N 2 1 387.612 3.766 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447086526 870967657 /nfs/dbraw/zinc/96/76/57/870967657.db2.gz MOTPVYXAVYKFKK-QGZVFWFLSA-N 2 1 385.577 3.972 20 0 GHADMP CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001169071047 871158111 /nfs/dbraw/zinc/15/81/11/871158111.db2.gz UDEONRRNGUJTKA-QFIPXVFZSA-N 2 1 380.580 3.994 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000539059137 871197783 /nfs/dbraw/zinc/19/77/83/871197783.db2.gz CKASGWPHRYNSMO-VAMGGRTRSA-N 2 1 378.944 3.830 20 0 GHADMP COc1cc2cccnc2c(N([C@H](C)CCC[NH3+])[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169091511 871200089 /nfs/dbraw/zinc/20/00/89/871200089.db2.gz SMXRXTMOWUWRBH-LMCOJAPRSA-N 2 1 382.552 3.802 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130884 871222243 /nfs/dbraw/zinc/22/22/43/871222243.db2.gz PHZBHOWTKVCPCJ-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130884 871222259 /nfs/dbraw/zinc/22/22/59/871222259.db2.gz PHZBHOWTKVCPCJ-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130884 871222276 /nfs/dbraw/zinc/22/22/76/871222276.db2.gz PHZBHOWTKVCPCJ-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463240049 871238674 /nfs/dbraw/zinc/23/86/74/871238674.db2.gz HWSZWXOQVAJZSX-JRGCBEDISA-N 2 1 388.502 3.759 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463240049 871238747 /nfs/dbraw/zinc/23/87/47/871238747.db2.gz HWSZWXOQVAJZSX-JRGCBEDISA-N 2 1 388.502 3.759 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCc3ccccc3N1C(=O)OC(C)(C)C)C2 ZINC001169111837 871239521 /nfs/dbraw/zinc/23/95/21/871239521.db2.gz QFMMGKKMMNNEQK-YRPNKDGESA-N 2 1 385.552 3.958 20 0 GHADMP OCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC(c2ccccc2)C1 ZINC000463247049 871260838 /nfs/dbraw/zinc/26/08/38/871260838.db2.gz TXDWPTQHWLUJIL-UHFFFAOYSA-N 2 1 396.550 3.979 20 0 GHADMP Cc1cc(-n2ncc3c2cccc3C[NH3+])nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001169195457 871287468 /nfs/dbraw/zinc/28/74/68/871287468.db2.gz WWFPZSMOVYVABC-UHFFFAOYSA-N 2 1 383.499 3.746 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CCCS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000091540839 871297044 /nfs/dbraw/zinc/29/70/44/871297044.db2.gz ALAYBLFWURWSGO-UHFFFAOYSA-N 2 1 380.598 3.603 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000091540839 871297086 /nfs/dbraw/zinc/29/70/86/871297086.db2.gz ALAYBLFWURWSGO-UHFFFAOYSA-N 2 1 380.598 3.603 20 0 GHADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c[nH+]c2cccc(Br)n21 ZINC001169178929 871301638 /nfs/dbraw/zinc/30/16/38/871301638.db2.gz FSRFJZGOKOEOJR-UHFFFAOYSA-N 2 1 399.292 3.859 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000539122914 871352525 /nfs/dbraw/zinc/35/25/25/871352525.db2.gz XGWZALBPPIGTDR-DVECYGJZSA-N 2 1 398.547 3.973 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000539122914 871352546 /nfs/dbraw/zinc/35/25/46/871352546.db2.gz XGWZALBPPIGTDR-DVECYGJZSA-N 2 1 398.547 3.973 20 0 GHADMP COC(=O)CCC[NH+]1CCC(Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000463302668 871371214 /nfs/dbraw/zinc/37/12/14/871371214.db2.gz PYOGTOPDOUTQQA-IBGZPJMESA-N 2 1 387.568 3.748 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)CC1 ZINC000667216619 871518372 /nfs/dbraw/zinc/51/83/72/871518372.db2.gz KFWJOKWUBZVZTK-HSZRJFAPSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000667216619 871518389 /nfs/dbraw/zinc/51/83/89/871518389.db2.gz KFWJOKWUBZVZTK-HSZRJFAPSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000667216619 871518399 /nfs/dbraw/zinc/51/83/99/871518399.db2.gz KFWJOKWUBZVZTK-HSZRJFAPSA-N 2 1 385.596 3.520 20 0 GHADMP Cc1ccc(N[C@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC001169520610 871595602 /nfs/dbraw/zinc/59/56/02/871595602.db2.gz NJZOQSLNORIGFH-REWPJTCUSA-N 2 1 395.547 3.928 20 0 GHADMP CCC[N@H+](Cc1ccc(NC(C)=O)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417555 882541709 /nfs/dbraw/zinc/54/17/09/882541709.db2.gz NTXCXBMBZRPHPY-UHFFFAOYSA-N 2 1 395.551 3.933 20 0 GHADMP CCC[N@@H+](Cc1ccc(NC(C)=O)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417555 882541719 /nfs/dbraw/zinc/54/17/19/882541719.db2.gz NTXCXBMBZRPHPY-UHFFFAOYSA-N 2 1 395.551 3.933 20 0 GHADMP O=C1NCCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1Cc1ccccc1 ZINC001194691768 871890836 /nfs/dbraw/zinc/89/08/36/871890836.db2.gz LDAUPEHLBGMGNJ-XMMPIXPASA-N 2 1 391.559 3.606 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@@H]2CCC[C@H]21 ZINC000552040791 871918787 /nfs/dbraw/zinc/91/87/87/871918787.db2.gz ZAYBBDNSMFIXSH-FDFHNCONSA-N 2 1 381.520 3.502 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627069 872085133 /nfs/dbraw/zinc/08/51/33/872085133.db2.gz KYZBIHDCOIIMMU-UTKZUKDTSA-N 2 1 390.531 3.716 20 0 GHADMP C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195075552 872157849 /nfs/dbraw/zinc/15/78/49/872157849.db2.gz VHLULSWTUUVECS-APWZRJJASA-N 2 1 377.960 3.856 20 0 GHADMP C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195075552 872157852 /nfs/dbraw/zinc/15/78/52/872157852.db2.gz VHLULSWTUUVECS-APWZRJJASA-N 2 1 377.960 3.856 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)n1 ZINC000093597157 872285611 /nfs/dbraw/zinc/28/56/11/872285611.db2.gz UFFRZVIVLNOTPK-KRWDZBQOSA-N 2 1 378.442 3.809 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCC1 ZINC000093607663 872290865 /nfs/dbraw/zinc/29/08/65/872290865.db2.gz DOSCKMLHFIZOFF-LJQANCHMSA-N 2 1 379.552 3.592 20 0 GHADMP C[C@H](c1ccccc1)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC1CCC1 ZINC000093607663 872290878 /nfs/dbraw/zinc/29/08/78/872290878.db2.gz DOSCKMLHFIZOFF-LJQANCHMSA-N 2 1 379.552 3.592 20 0 GHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCc1c[nH+]cn1C ZINC000552280291 872381882 /nfs/dbraw/zinc/38/18/82/872381882.db2.gz BZVMOEUOVOCINS-LLVKDONJSA-N 2 1 388.821 3.642 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000093770539 872409909 /nfs/dbraw/zinc/40/99/09/872409909.db2.gz LSNFKWNCBZOFPU-NRFANRHFSA-N 2 1 392.547 3.995 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000093770539 872409923 /nfs/dbraw/zinc/40/99/23/872409923.db2.gz LSNFKWNCBZOFPU-NRFANRHFSA-N 2 1 392.547 3.995 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000093770539 872409929 /nfs/dbraw/zinc/40/99/29/872409929.db2.gz LSNFKWNCBZOFPU-NRFANRHFSA-N 2 1 392.547 3.995 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000093770539 872409935 /nfs/dbraw/zinc/40/99/35/872409935.db2.gz LSNFKWNCBZOFPU-NRFANRHFSA-N 2 1 392.547 3.995 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000552319272 872432060 /nfs/dbraw/zinc/43/20/60/872432060.db2.gz IEYLBEVCKJPXOO-JXFKEZNVSA-N 2 1 384.511 3.849 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000061016480 882676510 /nfs/dbraw/zinc/67/65/10/882676510.db2.gz IHLAHRJAVOSETC-UHFFFAOYSA-N 2 1 375.520 3.898 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000076205655 882679641 /nfs/dbraw/zinc/67/96/41/882679641.db2.gz AZMRYUWZAOTBEL-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448253993 873098675 /nfs/dbraw/zinc/09/86/75/873098675.db2.gz BQIKNXSPXHLFPV-UHFFFAOYSA-N 2 1 382.552 3.747 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000448253993 873098693 /nfs/dbraw/zinc/09/86/93/873098693.db2.gz BQIKNXSPXHLFPV-UHFFFAOYSA-N 2 1 382.552 3.747 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000768201304 873137816 /nfs/dbraw/zinc/13/78/16/873137816.db2.gz SFYFIQZTLUCPMO-INIZCTEOSA-N 2 1 399.539 3.701 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)C[C@@H](C)O1 ZINC000541223319 873186570 /nfs/dbraw/zinc/18/65/70/873186570.db2.gz FWHLPPUYYDMWNZ-HZPDHXFCSA-N 2 1 378.944 3.596 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858011548 882716051 /nfs/dbraw/zinc/71/60/51/882716051.db2.gz WBXIKMSFBCCKAZ-QHCPKHFHSA-N 2 1 395.547 3.943 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527642479 873392779 /nfs/dbraw/zinc/39/27/79/873392779.db2.gz UDWOUBKOCZQHJK-UHFFFAOYSA-N 2 1 380.315 3.586 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527647634 873400801 /nfs/dbraw/zinc/40/08/01/873400801.db2.gz NMYAOJHBTRHWEO-GFCCVEGCSA-N 2 1 383.359 3.722 20 0 GHADMP CCOc1cccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)n1 ZINC000541336340 873420443 /nfs/dbraw/zinc/42/04/43/873420443.db2.gz LAOIOLAICIVLBK-UHFFFAOYSA-N 2 1 398.551 3.597 20 0 GHADMP CCOc1cccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)n1 ZINC000541336340 873420445 /nfs/dbraw/zinc/42/04/45/873420445.db2.gz LAOIOLAICIVLBK-UHFFFAOYSA-N 2 1 398.551 3.597 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000448466273 873424401 /nfs/dbraw/zinc/42/44/01/873424401.db2.gz LYZPIEKBVBWZRU-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1ccc([C@H]2CC[N@@H+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)cc1 ZINC000541389006 873459505 /nfs/dbraw/zinc/45/95/05/873459505.db2.gz LWBBVGLOCWQWHA-DEOSSOPVSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000541398870 873513508 /nfs/dbraw/zinc/51/35/08/873513508.db2.gz RSKCPUYXQNQGCL-QUCCMNQESA-N 2 1 386.584 3.730 20 0 GHADMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)OC)c1 ZINC000527737365 873540928 /nfs/dbraw/zinc/54/09/28/873540928.db2.gz NFALNNOXSVQJMI-HSZRJFAPSA-N 2 1 386.511 3.819 20 0 GHADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541457751 873644617 /nfs/dbraw/zinc/64/46/17/873644617.db2.gz NEHIYXAILDXJKD-LJQANCHMSA-N 2 1 398.378 3.948 20 0 GHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541457751 873644622 /nfs/dbraw/zinc/64/46/22/873644622.db2.gz NEHIYXAILDXJKD-LJQANCHMSA-N 2 1 398.378 3.948 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@H](C)C1 ZINC000134157530 882760981 /nfs/dbraw/zinc/76/09/81/882760981.db2.gz XUTIKIIZCXSCDM-AABGKKOBSA-N 2 1 379.614 3.612 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000134157530 882760985 /nfs/dbraw/zinc/76/09/85/882760985.db2.gz XUTIKIIZCXSCDM-AABGKKOBSA-N 2 1 379.614 3.612 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000134157530 882760993 /nfs/dbraw/zinc/76/09/93/882760993.db2.gz XUTIKIIZCXSCDM-AABGKKOBSA-N 2 1 379.614 3.612 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000541536806 873828122 /nfs/dbraw/zinc/82/81/22/873828122.db2.gz ORBURFRAGHYLEG-GOSISDBHSA-N 2 1 378.451 3.810 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000541536806 873828128 /nfs/dbraw/zinc/82/81/28/873828128.db2.gz ORBURFRAGHYLEG-GOSISDBHSA-N 2 1 378.451 3.810 20 0 GHADMP COC1(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000550882198 882763820 /nfs/dbraw/zinc/76/38/20/882763820.db2.gz KCKSNACPVCWEQW-IFMALSPDSA-N 2 1 386.580 3.853 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000541557733 873862753 /nfs/dbraw/zinc/86/27/53/873862753.db2.gz KYZSDBRCGMOSKM-OALUTQOASA-N 2 1 395.613 3.632 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3-c3ccccc3)CC2)CC1 ZINC000769337286 873981045 /nfs/dbraw/zinc/98/10/45/873981045.db2.gz GAJRHHOMAZLIFA-UHFFFAOYSA-N 2 1 391.559 3.730 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000464563556 874083192 /nfs/dbraw/zinc/08/31/92/874083192.db2.gz MCGYZBOPGXOZGP-NZQKXSOJSA-N 2 1 385.596 3.520 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000769477824 874098236 /nfs/dbraw/zinc/09/82/36/874098236.db2.gz ATZUKEJQDIYBFL-UHFFFAOYSA-N 2 1 378.419 3.710 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000769477824 874098251 /nfs/dbraw/zinc/09/82/51/874098251.db2.gz ATZUKEJQDIYBFL-UHFFFAOYSA-N 2 1 378.419 3.710 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769525549 874133750 /nfs/dbraw/zinc/13/37/50/874133750.db2.gz IKUBNIJORIVKLX-QAPCUYQASA-N 2 1 387.515 3.756 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769525549 874133760 /nfs/dbraw/zinc/13/37/60/874133760.db2.gz IKUBNIJORIVKLX-QAPCUYQASA-N 2 1 387.515 3.756 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000192143452 882799852 /nfs/dbraw/zinc/79/98/52/882799852.db2.gz AWXYLDQICIYSNO-JOCHJYFZSA-N 2 1 378.520 3.573 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448968567 874270833 /nfs/dbraw/zinc/27/08/33/874270833.db2.gz RZBWUMHWOPEANE-UHFFFAOYSA-N 2 1 389.503 3.573 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000528283733 874304908 /nfs/dbraw/zinc/30/49/08/874304908.db2.gz DBQUMUSEYOKVFO-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528283733 874304921 /nfs/dbraw/zinc/30/49/21/874304921.db2.gz DBQUMUSEYOKVFO-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528283733 874304934 /nfs/dbraw/zinc/30/49/34/874304934.db2.gz DBQUMUSEYOKVFO-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081717 874465315 /nfs/dbraw/zinc/46/53/15/874465315.db2.gz HJILZBFVSOKHOS-OTWHNJEPSA-N 2 1 380.598 3.541 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000464778487 874476067 /nfs/dbraw/zinc/47/60/67/874476067.db2.gz QJCBKPKFTQNXKX-NZQKXSOJSA-N 2 1 382.548 3.757 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000464778487 874476078 /nfs/dbraw/zinc/47/60/78/874476078.db2.gz QJCBKPKFTQNXKX-NZQKXSOJSA-N 2 1 382.548 3.757 20 0 GHADMP CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000537648681 882834850 /nfs/dbraw/zinc/83/48/50/882834850.db2.gz RZEVQJPYNUETAM-XMMPIXPASA-N 2 1 395.591 3.990 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449168682 874548203 /nfs/dbraw/zinc/54/82/03/874548203.db2.gz NAJMCMHPFKFYRM-WYVVHKHJSA-N 2 1 386.580 3.729 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449168682 874548213 /nfs/dbraw/zinc/54/82/13/874548213.db2.gz NAJMCMHPFKFYRM-WYVVHKHJSA-N 2 1 386.580 3.729 20 0 GHADMP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464839162 874577874 /nfs/dbraw/zinc/57/78/74/874577874.db2.gz PEQWCPJHLHGDLE-SFHVURJKSA-N 2 1 387.474 3.747 20 0 GHADMP C[NH+](CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464839162 874577883 /nfs/dbraw/zinc/57/78/83/874577883.db2.gz PEQWCPJHLHGDLE-SFHVURJKSA-N 2 1 387.474 3.747 20 0 GHADMP C[NH+](CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464839162 874577890 /nfs/dbraw/zinc/57/78/90/874577890.db2.gz PEQWCPJHLHGDLE-SFHVURJKSA-N 2 1 387.474 3.747 20 0 GHADMP COc1ccccc1[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858101009 882847423 /nfs/dbraw/zinc/84/74/23/882847423.db2.gz WMDBKZRSRCSBND-SJLPKXTDSA-N 2 1 391.556 3.723 20 0 GHADMP COc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc2ccccc21 ZINC000449326462 874709528 /nfs/dbraw/zinc/70/95/28/874709528.db2.gz WBBZROKMEUBNRY-CBQGHPETSA-N 2 1 379.548 3.591 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000122978453 882861412 /nfs/dbraw/zinc/86/14/12/882861412.db2.gz FHZXTTBCIVUAFM-GGAORHGYSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]2CCCC[C@H]21 ZINC000542046614 874815228 /nfs/dbraw/zinc/81/52/28/874815228.db2.gz ITUKEQGFBHIJOE-JRGCBEDISA-N 2 1 387.593 3.684 20 0 GHADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc(Br)c1O ZINC001199336789 874909617 /nfs/dbraw/zinc/90/96/17/874909617.db2.gz WVTGJDGDJIXQEH-CQSZACIVSA-N 2 1 385.346 3.765 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](c4ccncc4)C3)CC2)cc1 ZINC000449537079 875018793 /nfs/dbraw/zinc/01/87/93/875018793.db2.gz JENWJBCLTGRRFU-DHIUTWEWSA-N 2 1 383.511 3.738 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(Br)c1OC ZINC000105443858 875297468 /nfs/dbraw/zinc/29/74/68/875297468.db2.gz JFTFSAAMUQWLBB-CYBMUJFWSA-N 2 1 396.329 3.787 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)ncc1Br ZINC000623400017 875628004 /nfs/dbraw/zinc/62/80/04/875628004.db2.gz HAMAVMXFVGNMKJ-SFHVURJKSA-N 2 1 388.353 3.807 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ncc1Br ZINC000623400017 875628011 /nfs/dbraw/zinc/62/80/11/875628011.db2.gz HAMAVMXFVGNMKJ-SFHVURJKSA-N 2 1 388.353 3.807 20 0 GHADMP COc1cccc2c1CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C2 ZINC001201625610 875800168 /nfs/dbraw/zinc/80/01/68/875800168.db2.gz CAPLWEXICCZZIH-XZOQPEGZSA-N 2 1 394.559 3.689 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000858251563 882978215 /nfs/dbraw/zinc/97/82/15/882978215.db2.gz SICABIGTNYTSNZ-JOCHJYFZSA-N 2 1 377.532 3.956 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000858251563 882978221 /nfs/dbraw/zinc/97/82/21/882978221.db2.gz SICABIGTNYTSNZ-JOCHJYFZSA-N 2 1 377.532 3.956 20 0 GHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000450317745 876261086 /nfs/dbraw/zinc/26/10/86/876261086.db2.gz LMSQAEXJAOMZJP-QFIPXVFZSA-N 2 1 384.568 3.554 20 0 GHADMP CC(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108421095 876466844 /nfs/dbraw/zinc/46/68/44/876466844.db2.gz PJFTUUZIZWDPEX-QHCPKHFHSA-N 2 1 379.548 3.797 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000173782259 876632633 /nfs/dbraw/zinc/63/26/33/876632633.db2.gz XJZIWRLUMPUNPA-YADHBBJMSA-N 2 1 386.584 3.685 20 0 GHADMP Cn1nc(C(F)(F)F)cc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000850218091 876733754 /nfs/dbraw/zinc/73/37/54/876733754.db2.gz XAUZCYIZRJTDBU-UHFFFAOYSA-N 2 1 395.473 3.829 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3c(C)c[nH+]c4c(C)cccc43)C2)CC1 ZINC000450772110 876866871 /nfs/dbraw/zinc/86/68/71/876866871.db2.gz KNYZHPICFWSUKF-NRFANRHFSA-N 2 1 394.563 3.622 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)CC2)CC1 ZINC000529920313 876868003 /nfs/dbraw/zinc/86/80/03/876868003.db2.gz APRMJGSQIPGWFB-OAQYLSRUSA-N 2 1 389.971 3.640 20 0 GHADMP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n(C)n1 ZINC000850397689 876879177 /nfs/dbraw/zinc/87/91/77/876879177.db2.gz HZEAVKHPBXCRRH-ZJSXRUAMSA-N 2 1 380.580 3.736 20 0 GHADMP O[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000850421684 876902837 /nfs/dbraw/zinc/90/28/37/876902837.db2.gz XKPBGNVKXUTKIR-HXUWFJFHSA-N 2 1 396.428 3.573 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000850421684 876902844 /nfs/dbraw/zinc/90/28/44/876902844.db2.gz XKPBGNVKXUTKIR-HXUWFJFHSA-N 2 1 396.428 3.573 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1 ZINC000786804532 876964029 /nfs/dbraw/zinc/96/40/29/876964029.db2.gz MDZSXVLGRDEXKJ-GOSISDBHSA-N 2 1 380.536 3.907 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000134870925 883082646 /nfs/dbraw/zinc/08/26/46/883082646.db2.gz XXEPGTRXPPBRKI-DNVCBOLYSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000134870925 883082660 /nfs/dbraw/zinc/08/26/60/883082660.db2.gz XXEPGTRXPPBRKI-DNVCBOLYSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000134870925 883082673 /nfs/dbraw/zinc/08/26/73/883082673.db2.gz XXEPGTRXPPBRKI-DNVCBOLYSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000134870925 883082686 /nfs/dbraw/zinc/08/26/86/883082686.db2.gz XXEPGTRXPPBRKI-DNVCBOLYSA-N 2 1 395.469 3.983 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581007 877054582 /nfs/dbraw/zinc/05/45/82/877054582.db2.gz CHRIZWVSUNVSDW-XMCHAPAWSA-N 2 1 378.438 3.638 20 0 GHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000477240806 877274067 /nfs/dbraw/zinc/27/40/67/877274067.db2.gz ACKGFBVQYGIOTD-FPOVZHCZSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000477240806 877274089 /nfs/dbraw/zinc/27/40/89/877274089.db2.gz ACKGFBVQYGIOTD-FPOVZHCZSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000477240806 877274107 /nfs/dbraw/zinc/27/41/07/877274107.db2.gz ACKGFBVQYGIOTD-FPOVZHCZSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000477240806 877274127 /nfs/dbraw/zinc/27/41/27/877274127.db2.gz ACKGFBVQYGIOTD-FPOVZHCZSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000263278668 877288975 /nfs/dbraw/zinc/28/89/75/877288975.db2.gz TWLXTQQBUCSCAE-AZUAARDMSA-N 2 1 397.485 3.647 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000477313305 877411320 /nfs/dbraw/zinc/41/13/20/877411320.db2.gz BVEQPJZFTNDBED-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000642643413 912240482 /nfs/dbraw/zinc/24/04/82/912240482.db2.gz BXLHWZQETFYYBO-SFHVURJKSA-N 2 1 389.609 3.958 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000477409455 877581221 /nfs/dbraw/zinc/58/12/21/877581221.db2.gz WYWHWHKSLCPRAR-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000477409455 877581233 /nfs/dbraw/zinc/58/12/33/877581233.db2.gz WYWHWHKSLCPRAR-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000477409455 877581249 /nfs/dbraw/zinc/58/12/49/877581249.db2.gz WYWHWHKSLCPRAR-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCCN(C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000245393722 877793008 /nfs/dbraw/zinc/79/30/08/877793008.db2.gz WJZFLGWTFBLVSN-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245393722 877793024 /nfs/dbraw/zinc/79/30/24/877793024.db2.gz WJZFLGWTFBLVSN-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245393722 877793036 /nfs/dbraw/zinc/79/30/36/877793036.db2.gz WJZFLGWTFBLVSN-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000551777963 877793781 /nfs/dbraw/zinc/79/37/81/877793781.db2.gz XSLIAXXMPZVCFL-ULOHNXOTSA-N 2 1 380.532 3.544 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245439534 877881610 /nfs/dbraw/zinc/88/16/10/877881610.db2.gz SYVDSNMMSKKMHD-RTWAWAEBSA-N 2 1 398.595 3.546 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000175766699 877893363 /nfs/dbraw/zinc/89/33/63/877893363.db2.gz YPVNKCRRIDTYQS-WVUPVLJSSA-N 2 1 398.595 3.774 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527999 878057482 /nfs/dbraw/zinc/05/74/82/878057482.db2.gz DZCNSRLHEFNBFM-DENIHFKCSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527999 878057502 /nfs/dbraw/zinc/05/75/02/878057502.db2.gz DZCNSRLHEFNBFM-DENIHFKCSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527999 878057522 /nfs/dbraw/zinc/05/75/22/878057522.db2.gz DZCNSRLHEFNBFM-DENIHFKCSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527999 878057542 /nfs/dbraw/zinc/05/75/42/878057542.db2.gz DZCNSRLHEFNBFM-DENIHFKCSA-N 2 1 375.532 3.543 20 0 GHADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000530587534 878117318 /nfs/dbraw/zinc/11/73/18/878117318.db2.gz PQPPTNRCZVLQKV-XMMPIXPASA-N 2 1 393.575 3.879 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000530587534 878117328 /nfs/dbraw/zinc/11/73/28/878117328.db2.gz PQPPTNRCZVLQKV-XMMPIXPASA-N 2 1 393.575 3.879 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000537706963 878154085 /nfs/dbraw/zinc/15/40/85/878154085.db2.gz YYWAAZNXVPPCKU-IBGZPJMESA-N 2 1 377.532 3.710 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000537706963 878154103 /nfs/dbraw/zinc/15/41/03/878154103.db2.gz YYWAAZNXVPPCKU-IBGZPJMESA-N 2 1 377.532 3.710 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000455906950 878174540 /nfs/dbraw/zinc/17/45/40/878174540.db2.gz HSVRRIHYMUCPBE-HTAPYJJXSA-N 2 1 380.536 3.878 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000530611103 878189521 /nfs/dbraw/zinc/18/95/21/878189521.db2.gz KWLOWIKJPXAFAC-QHCPKHFHSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000176320000 878210882 /nfs/dbraw/zinc/21/08/82/878210882.db2.gz MWZZRAACHNPBOB-RTWAWAEBSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000176320000 878210894 /nfs/dbraw/zinc/21/08/94/878210894.db2.gz MWZZRAACHNPBOB-RTWAWAEBSA-N 2 1 398.551 3.584 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000176366879 878230384 /nfs/dbraw/zinc/23/03/84/878230384.db2.gz BAFKLIABKNDDHH-UHFFFAOYSA-N 2 1 397.567 3.703 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245654228 878293290 /nfs/dbraw/zinc/29/32/90/878293290.db2.gz DEGKCDHCQHRCJR-PIATZUFCSA-N 2 1 380.532 3.904 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1)CC1CC1 ZINC000537811675 878326550 /nfs/dbraw/zinc/32/65/50/878326550.db2.gz ZQCMRSUWXQZJJE-FRIKZZABSA-N 2 1 390.616 3.545 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1)CC1CC1 ZINC000537811675 878326563 /nfs/dbraw/zinc/32/65/63/878326563.db2.gz ZQCMRSUWXQZJJE-FRIKZZABSA-N 2 1 390.616 3.545 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1)CC1CC1 ZINC000537811675 878326578 /nfs/dbraw/zinc/32/65/78/878326578.db2.gz ZQCMRSUWXQZJJE-FRIKZZABSA-N 2 1 390.616 3.545 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000530701678 878343849 /nfs/dbraw/zinc/34/38/49/878343849.db2.gz QIPQIQUPGIWOSN-WOJBJXKFSA-N 2 1 382.552 3.584 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1)CC1CC1 ZINC000537848646 878388735 /nfs/dbraw/zinc/38/87/35/878388735.db2.gz MJAHBBWSBQDKMO-QGZVFWFLSA-N 2 1 382.552 3.968 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245703497 878427367 /nfs/dbraw/zinc/42/73/67/878427367.db2.gz MDSJEAPKBMMRLD-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245703497 878427375 /nfs/dbraw/zinc/42/73/75/878427375.db2.gz MDSJEAPKBMMRLD-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000616082723 878486548 /nfs/dbraw/zinc/48/65/48/878486548.db2.gz BBNKLPGMBQBKKK-HXUWFJFHSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000616082723 878486557 /nfs/dbraw/zinc/48/65/57/878486557.db2.gz BBNKLPGMBQBKKK-HXUWFJFHSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000616082723 878486563 /nfs/dbraw/zinc/48/65/63/878486563.db2.gz BBNKLPGMBQBKKK-HXUWFJFHSA-N 2 1 380.621 3.795 20 0 GHADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245728449 878489910 /nfs/dbraw/zinc/48/99/10/878489910.db2.gz PWJSMYTZQMRGEQ-GPJHCHHRSA-N 2 1 389.543 3.857 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245744470 878520030 /nfs/dbraw/zinc/52/00/30/878520030.db2.gz MNHGOCBEFDROLT-DZGCQCFKSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245744470 878520045 /nfs/dbraw/zinc/52/00/45/878520045.db2.gz MNHGOCBEFDROLT-DZGCQCFKSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245744470 878520060 /nfs/dbraw/zinc/52/00/60/878520060.db2.gz MNHGOCBEFDROLT-DZGCQCFKSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000245744470 878520077 /nfs/dbraw/zinc/52/00/77/878520077.db2.gz MNHGOCBEFDROLT-DZGCQCFKSA-N 2 1 385.346 3.771 20 0 GHADMP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NCC1([NH+]2CCCC2)COC1 ZINC001168447964 878586463 /nfs/dbraw/zinc/58/64/63/878586463.db2.gz NUJLSNJIBYZHKO-UHFFFAOYSA-N 2 1 385.474 3.824 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000537987755 878629343 /nfs/dbraw/zinc/62/93/43/878629343.db2.gz QLMAEFMPAWVUIT-XNZCMHNBSA-N 2 1 395.591 3.776 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000177703406 878822129 /nfs/dbraw/zinc/82/21/29/878822129.db2.gz YYKWBRZBZAXDNM-RTBURBONSA-N 2 1 389.609 3.731 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177703406 878822141 /nfs/dbraw/zinc/82/21/41/878822141.db2.gz YYKWBRZBZAXDNM-RTBURBONSA-N 2 1 389.609 3.731 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177703406 878822147 /nfs/dbraw/zinc/82/21/47/878822147.db2.gz YYKWBRZBZAXDNM-RTBURBONSA-N 2 1 389.609 3.731 20 0 GHADMP Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000789357312 878847696 /nfs/dbraw/zinc/84/76/96/878847696.db2.gz LSIPCAYTSRCUNS-JOCHJYFZSA-N 2 1 392.547 3.903 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccco1 ZINC000461010025 878959243 /nfs/dbraw/zinc/95/92/43/878959243.db2.gz XZPDXBATZYLPDZ-QFBILLFUSA-N 2 1 399.539 3.512 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc(I)cs2)CC2CC2)CC1 ZINC001236553775 878974244 /nfs/dbraw/zinc/97/42/44/878974244.db2.gz TYPAKEKRPUFVGI-HDJSIYSDSA-N 2 1 390.334 3.835 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)CC1 ZINC000178209110 879043423 /nfs/dbraw/zinc/04/34/23/879043423.db2.gz BDUBLXVIVACLCQ-UHFFFAOYSA-N 2 1 395.551 3.756 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000246146458 879052271 /nfs/dbraw/zinc/05/22/71/879052271.db2.gz JVCFFTFCSNXZTI-KNKQGSTJSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246146458 879052281 /nfs/dbraw/zinc/05/22/81/879052281.db2.gz JVCFFTFCSNXZTI-KNKQGSTJSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246146458 879052296 /nfs/dbraw/zinc/05/22/96/879052296.db2.gz JVCFFTFCSNXZTI-KNKQGSTJSA-N 2 1 386.584 3.685 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H]3CC[NH2+][C@@H]3C2)n1 ZINC000643031722 912419740 /nfs/dbraw/zinc/41/97/40/912419740.db2.gz WORPNBNLEDVNIR-SJLPKXTDSA-N 2 1 393.560 3.608 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1F ZINC000178738980 879203505 /nfs/dbraw/zinc/20/35/05/879203505.db2.gz TWCBRTTZOHXCRX-AWEZNQCLSA-N 2 1 386.353 3.512 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746866047 879367436 /nfs/dbraw/zinc/36/74/36/879367436.db2.gz NWLXTVIYFXEMGO-XMMPIXPASA-N 2 1 383.580 3.767 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649345311 879467657 /nfs/dbraw/zinc/46/76/57/879467657.db2.gz VBGZWMCTUXOURD-WIYYLYMNSA-N 2 1 385.939 3.710 20 0 GHADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@H]1c1cccc3ccccc31)C[NH+]1CCC2CC1 ZINC000790373217 879677045 /nfs/dbraw/zinc/67/70/45/879677045.db2.gz VUJQGKAKRWHDCG-LADGPHEKSA-N 2 1 391.515 3.851 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccccc43)c2)C1 ZINC000246618397 879723331 /nfs/dbraw/zinc/72/33/31/879723331.db2.gz SVDOESGYGHAXSL-FYYLOGMGSA-N 2 1 377.532 3.551 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461423117 879780236 /nfs/dbraw/zinc/78/02/36/879780236.db2.gz DPMTXPQWZFUKPF-SMIHKQSGSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461423117 879780244 /nfs/dbraw/zinc/78/02/44/879780244.db2.gz DPMTXPQWZFUKPF-SMIHKQSGSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461423117 879780266 /nfs/dbraw/zinc/78/02/66/879780266.db2.gz DPMTXPQWZFUKPF-SMIHKQSGSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000246902610 879844979 /nfs/dbraw/zinc/84/49/79/879844979.db2.gz FWMQCRJKPKMIFH-FGTMMUONSA-N 2 1 382.504 3.875 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)[C@@H](C)C1 ZINC000247129678 879926229 /nfs/dbraw/zinc/92/62/29/879926229.db2.gz ARLKAQDNAWXVSY-YDHSSHFGSA-N 2 1 384.568 3.968 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)[C@@H](C)C1 ZINC000247142942 879930417 /nfs/dbraw/zinc/93/04/17/879930417.db2.gz SJIQJXXKZVLHQR-NSHGMRRFSA-N 2 1 378.557 3.800 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000247389126 879987360 /nfs/dbraw/zinc/98/73/60/879987360.db2.gz GJPIYAVLJDRTMS-FXAWDEMLSA-N 2 1 392.613 3.551 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1cccs1 ZINC000247453061 880002320 /nfs/dbraw/zinc/00/23/20/880002320.db2.gz PHYGMYUSXKPCLO-MAUKXSAKSA-N 2 1 392.613 3.739 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000531598101 880197570 /nfs/dbraw/zinc/19/75/70/880197570.db2.gz VHYURKQUKKCBBY-HXUWFJFHSA-N 2 1 386.628 3.817 20 0 GHADMP C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000531598101 880197577 /nfs/dbraw/zinc/19/75/77/880197577.db2.gz VHYURKQUKKCBBY-HXUWFJFHSA-N 2 1 386.628 3.817 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2ccccc2n1 ZINC000531677091 880306863 /nfs/dbraw/zinc/30/68/63/880306863.db2.gz GTLVKNNCTQRADY-UTKZUKDTSA-N 2 1 380.561 3.936 20 0 GHADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677422 880307086 /nfs/dbraw/zinc/30/70/86/880307086.db2.gz VZBCGNZETRQJPZ-XLIONFOSSA-N 2 1 375.557 3.787 20 0 GHADMP CC[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000531684892 880317928 /nfs/dbraw/zinc/31/79/28/880317928.db2.gz FJBYPTYENXBIQR-RHSMWYFYSA-N 2 1 382.346 3.630 20 0 GHADMP Fc1cc(-c2ccc(CNc3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)cc2F)ccn1 ZINC001168142060 880406201 /nfs/dbraw/zinc/40/62/01/880406201.db2.gz WYXPOZVPQFKPNM-UHFFFAOYSA-N 2 1 391.425 3.973 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(I)c1 ZINC000453077763 880430602 /nfs/dbraw/zinc/43/06/02/880430602.db2.gz KBDZDIYGIMYWBZ-VXGBXAGGSA-N 2 1 388.268 3.565 20 0 GHADMP c1ncn(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@H]43)cc2)n1 ZINC000453109378 880477419 /nfs/dbraw/zinc/47/74/19/880477419.db2.gz PKTQAVIQWNGRRG-HJOGWXRNSA-N 2 1 387.531 3.800 20 0 GHADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000185114900 880480522 /nfs/dbraw/zinc/48/05/22/880480522.db2.gz JUXVYKCFHVKOLT-UHFFFAOYSA-N 2 1 394.563 3.651 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453116341 880487976 /nfs/dbraw/zinc/48/79/76/880487976.db2.gz GZSJTHOZEPRLTL-VXNXHJTFSA-N 2 1 391.559 3.622 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3ccccc3)cc2)CC1 ZINC000010340435 880561362 /nfs/dbraw/zinc/56/13/62/880561362.db2.gz AVORPZJFQXZDEV-HSZRJFAPSA-N 2 1 392.547 3.604 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(c4ccccn4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453172313 880576010 /nfs/dbraw/zinc/57/60/10/880576010.db2.gz MUQVVKHSIZGFMQ-WZYRSQIMSA-N 2 1 376.548 3.693 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000531945764 880764024 /nfs/dbraw/zinc/76/40/24/880764024.db2.gz GAWVHUMCEYSQLE-XUZZJYLKSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000531945764 880764033 /nfs/dbraw/zinc/76/40/33/880764033.db2.gz GAWVHUMCEYSQLE-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000531945764 880764043 /nfs/dbraw/zinc/76/40/43/880764043.db2.gz GAWVHUMCEYSQLE-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000531945764 880764049 /nfs/dbraw/zinc/76/40/49/880764049.db2.gz GAWVHUMCEYSQLE-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531963554 880828299 /nfs/dbraw/zinc/82/82/99/880828299.db2.gz XWAKHBPIFMCXDX-LLVKDONJSA-N 2 1 388.821 3.871 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404701 880871447 /nfs/dbraw/zinc/87/14/47/880871447.db2.gz BNKHDGSMFTZGMP-CQSZACIVSA-N 2 1 382.346 3.630 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000776865738 880915248 /nfs/dbraw/zinc/91/52/48/880915248.db2.gz SUJFXLQBDZRXRU-BLKABHOGSA-N 2 1 387.568 3.744 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000776866834 880916715 /nfs/dbraw/zinc/91/67/15/880916715.db2.gz ZWZYAGGIGFHMJJ-LGGPRVQUSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000776866834 880916722 /nfs/dbraw/zinc/91/67/22/880916722.db2.gz ZWZYAGGIGFHMJJ-LGGPRVQUSA-N 2 1 387.568 3.886 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1CC1 ZINC000453594408 881066282 /nfs/dbraw/zinc/06/62/82/881066282.db2.gz IMECWVOLRHYYKN-UHFFFAOYSA-N 2 1 375.520 3.898 20 0 GHADMP COc1ccc(C[C@H](C)C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1F ZINC000187496920 881213063 /nfs/dbraw/zinc/21/30/63/881213063.db2.gz DQAMSNFEVNPLHE-SFHVURJKSA-N 2 1 378.532 3.638 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000195139774 883192647 /nfs/dbraw/zinc/19/26/47/883192647.db2.gz NQEFVLZTUZIAFH-IEBWSBKVSA-N 2 1 384.520 3.885 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000195139453 883192838 /nfs/dbraw/zinc/19/28/38/883192838.db2.gz NTGJTXIGXHWDPC-IFMALSPDSA-N 3 1 381.564 3.800 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000195139453 883192844 /nfs/dbraw/zinc/19/28/44/883192844.db2.gz NTGJTXIGXHWDPC-IFMALSPDSA-N 2 1 381.564 3.800 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000123239451 883261171 /nfs/dbraw/zinc/26/11/71/883261171.db2.gz DYTWZUGIWRQGRK-YLJYHZDGSA-N 2 1 383.540 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000123239451 883261189 /nfs/dbraw/zinc/26/11/89/883261189.db2.gz DYTWZUGIWRQGRK-YLJYHZDGSA-N 2 1 383.540 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000123239032 883261409 /nfs/dbraw/zinc/26/14/09/883261409.db2.gz DYTWZUGIWRQGRK-XLIONFOSSA-N 2 1 383.540 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000123239032 883261423 /nfs/dbraw/zinc/26/14/23/883261423.db2.gz DYTWZUGIWRQGRK-XLIONFOSSA-N 2 1 383.540 3.758 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC001129932835 883324411 /nfs/dbraw/zinc/32/44/11/883324411.db2.gz JHIZFFGVXIFIKK-TZRRMPRUSA-N 2 1 391.559 3.802 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193676511 883421355 /nfs/dbraw/zinc/42/13/55/883421355.db2.gz ZEZNZQXAVRCGRN-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000476987214 883543457 /nfs/dbraw/zinc/54/34/57/883543457.db2.gz QZJISGSWFJCKJN-LJQANCHMSA-N 2 1 397.563 3.649 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001183685325 912727776 /nfs/dbraw/zinc/72/77/76/912727776.db2.gz LLYNWBFDRDEIGL-NRFANRHFSA-N 2 1 379.589 3.974 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000078954333 883618039 /nfs/dbraw/zinc/61/80/39/883618039.db2.gz XJAYNLPKVRPZDU-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP CCN1C[C@H](C)[NH+](CC[Si](C)(C)CC[N@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000859221656 883674261 /nfs/dbraw/zinc/67/42/61/883674261.db2.gz WPIZIKMXJCPUEY-CMOCDZPBSA-N 2 1 396.740 3.524 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@H]1c1cc[nH]n1)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000859282454 883715506 /nfs/dbraw/zinc/71/55/06/883715506.db2.gz IADJCWBJHQKIID-BGYRXZFFSA-N 2 1 386.620 3.815 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]1c1cc[nH]n1)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000859282454 883715518 /nfs/dbraw/zinc/71/55/18/883715518.db2.gz IADJCWBJHQKIID-BGYRXZFFSA-N 2 1 386.620 3.815 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]1c1cc[nH]n1)CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000859282454 883715527 /nfs/dbraw/zinc/71/55/27/883715527.db2.gz IADJCWBJHQKIID-BGYRXZFFSA-N 2 1 386.620 3.815 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000494810424 883876345 /nfs/dbraw/zinc/87/63/45/883876345.db2.gz OBIRJIJPOMVKKX-LMVRJCEZSA-N 2 1 378.532 3.772 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536504623 883918358 /nfs/dbraw/zinc/91/83/58/883918358.db2.gz ADMAVLOIAWWEFH-UHFFFAOYSA-N 2 1 383.540 3.557 20 0 GHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230018 884164619 /nfs/dbraw/zinc/16/46/19/884164619.db2.gz KXDGBZJLMLZLHW-VABKMULXSA-N 2 1 386.580 3.710 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000130104735 884182161 /nfs/dbraw/zinc/18/21/61/884182161.db2.gz KIFGWJCBLGPRNR-QFIPXVFZSA-N 2 1 396.510 3.565 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)c1 ZINC000498372704 884199581 /nfs/dbraw/zinc/19/95/81/884199581.db2.gz IJEFOGWXKXVSLP-GOTSBHOMSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000498372704 884199592 /nfs/dbraw/zinc/19/95/92/884199592.db2.gz IJEFOGWXKXVSLP-GOTSBHOMSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000498372704 884199602 /nfs/dbraw/zinc/19/96/02/884199602.db2.gz IJEFOGWXKXVSLP-GOTSBHOMSA-N 2 1 377.532 3.675 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105113581 884250049 /nfs/dbraw/zinc/25/00/49/884250049.db2.gz LVKSPQSZWKJRAL-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496569 884269082 /nfs/dbraw/zinc/26/90/82/884269082.db2.gz KDSWURNLSSAZRT-KJFMYELZSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496569 884269099 /nfs/dbraw/zinc/26/90/99/884269099.db2.gz KDSWURNLSSAZRT-KJFMYELZSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496569 884269117 /nfs/dbraw/zinc/26/91/17/884269117.db2.gz KDSWURNLSSAZRT-KJFMYELZSA-N 2 1 379.589 3.827 20 0 GHADMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc(OC4CC4)cc3)C=C2)CC1 ZINC001170496183 884283393 /nfs/dbraw/zinc/28/33/93/884283393.db2.gz OAOVEKUPBLFJJO-WWDZGPRUSA-N 2 1 379.504 3.599 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496747 884303952 /nfs/dbraw/zinc/30/39/52/884303952.db2.gz LHJPOVUPTZSTIG-JBYIUTFZSA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1CC([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496747 884303970 /nfs/dbraw/zinc/30/39/70/884303970.db2.gz LHJPOVUPTZSTIG-JBYIUTFZSA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1CC([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496747 884303989 /nfs/dbraw/zinc/30/39/89/884303989.db2.gz LHJPOVUPTZSTIG-JBYIUTFZSA-N 2 1 379.589 3.971 20 0 GHADMP Cc1c[nH+]cn1CC(=O)OC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000860554038 884796825 /nfs/dbraw/zinc/79/68/25/884796825.db2.gz NYCBBEGUXJPXJJ-QFBILLFUSA-N 2 1 395.425 3.837 20 0 GHADMP Cc1c[nH+]cn1CC(=O)OC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000860554038 884796848 /nfs/dbraw/zinc/79/68/48/884796848.db2.gz NYCBBEGUXJPXJJ-QFBILLFUSA-N 2 1 395.425 3.837 20 0 GHADMP CC1(C)CC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC(C)(C)[NH2+]1 ZINC000130676903 884988948 /nfs/dbraw/zinc/98/89/48/884988948.db2.gz PUXLSSXUCWKGKC-UHFFFAOYSA-N 2 1 390.597 3.666 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598486 884990622 /nfs/dbraw/zinc/99/06/22/884990622.db2.gz LLBVEIRFSIQMGJ-QHCPKHFHSA-N 2 1 377.532 3.563 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@@H](C)C1 ZINC000655734763 884996481 /nfs/dbraw/zinc/99/64/81/884996481.db2.gz AVIMIFMJKRXJNF-CVDCTZTESA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@@H](C)C1 ZINC000655734763 884996497 /nfs/dbraw/zinc/99/64/97/884996497.db2.gz AVIMIFMJKRXJNF-CVDCTZTESA-N 2 1 384.568 3.716 20 0 GHADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](Cc2ccccc2)C1 ZINC001130752444 885007143 /nfs/dbraw/zinc/00/71/43/885007143.db2.gz SYBCLDZYYROZDB-XMMPIXPASA-N 2 1 391.559 3.671 20 0 GHADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](Cc2ccccc2)C1 ZINC001130752444 885007155 /nfs/dbraw/zinc/00/71/55/885007155.db2.gz SYBCLDZYYROZDB-XMMPIXPASA-N 2 1 391.559 3.671 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000460366546 885061308 /nfs/dbraw/zinc/06/13/08/885061308.db2.gz YSNFWYHBEUMLPX-HOTGVXAUSA-N 2 1 387.474 3.650 20 0 GHADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000106485651 885070602 /nfs/dbraw/zinc/07/06/02/885070602.db2.gz RFPMSSDLSOBASB-OAHLLOKOSA-N 2 1 381.442 3.691 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)c1 ZINC000455875789 885140459 /nfs/dbraw/zinc/14/04/59/885140459.db2.gz NGCBWZQBPBLPGH-QHCPKHFHSA-N 2 1 392.547 3.894 20 0 GHADMP Cc1cc(F)c(F)c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211915984 885203695 /nfs/dbraw/zinc/20/36/95/885203695.db2.gz NUWYZGATFBBTDZ-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)c(F)c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211915984 885203711 /nfs/dbraw/zinc/20/37/11/885203711.db2.gz NUWYZGATFBBTDZ-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Clc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)OCC2CC2)cc1 ZINC000655766558 885379731 /nfs/dbraw/zinc/37/97/31/885379731.db2.gz IMCXWMAHWRCNFL-SFTDATJTSA-N 2 1 378.944 3.651 20 0 GHADMP Cc1cc(F)cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1F ZINC001211916707 885442007 /nfs/dbraw/zinc/44/20/07/885442007.db2.gz SPRXPAYDJJJHGH-SFHVURJKSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1F ZINC001211916707 885442015 /nfs/dbraw/zinc/44/20/15/885442015.db2.gz SPRXPAYDJJJHGH-SFHVURJKSA-N 2 1 396.441 3.512 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000532442379 885450769 /nfs/dbraw/zinc/45/07/69/885450769.db2.gz ZPXQLSPEBJERSS-NVXWUHKLSA-N 2 1 395.519 3.989 20 0 GHADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448672 885508618 /nfs/dbraw/zinc/50/86/18/885508618.db2.gz JADDDWQINGUGJR-GHTZIAJQSA-N 2 1 387.568 3.652 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H](CNC3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769008 885571996 /nfs/dbraw/zinc/57/19/96/885571996.db2.gz AZWCYDRYVKRKJG-ISKFKSNPSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769008 885572007 /nfs/dbraw/zinc/57/20/07/885572007.db2.gz AZWCYDRYVKRKJG-ISKFKSNPSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769008 885572022 /nfs/dbraw/zinc/57/20/22/885572022.db2.gz AZWCYDRYVKRKJG-ISKFKSNPSA-N 2 1 385.596 3.522 20 0 GHADMP C[NH+](C)C1CCC(n2cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001168305928 885581563 /nfs/dbraw/zinc/58/15/63/885581563.db2.gz UVBZHNKUZJPKJI-QLOJAFMTSA-N 2 1 385.552 3.898 20 0 GHADMP C[C@@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537605329 886036572 /nfs/dbraw/zinc/03/65/72/886036572.db2.gz WDGMGGGBRZTNOM-MJGOQNOKSA-N 2 1 399.502 3.533 20 0 GHADMP C[C@@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537605329 886036586 /nfs/dbraw/zinc/03/65/86/886036586.db2.gz WDGMGGGBRZTNOM-MJGOQNOKSA-N 2 1 399.502 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000862248035 886249196 /nfs/dbraw/zinc/24/91/96/886249196.db2.gz PYVQXICKXRWOJR-DLBZAZTESA-N 2 1 387.515 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000862248035 886249216 /nfs/dbraw/zinc/24/92/16/886249216.db2.gz PYVQXICKXRWOJR-DLBZAZTESA-N 2 1 387.515 3.581 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000131557137 886254811 /nfs/dbraw/zinc/25/48/11/886254811.db2.gz VYWRIJNAJKBUJY-ZIAGYGMSSA-N 2 1 385.321 3.740 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000862252864 886258626 /nfs/dbraw/zinc/25/86/26/886258626.db2.gz IAFYSKKPLDNEST-JQHSSLGASA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000862252864 886258643 /nfs/dbraw/zinc/25/86/43/886258643.db2.gz IAFYSKKPLDNEST-JQHSSLGASA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000862252864 886258662 /nfs/dbraw/zinc/25/86/62/886258662.db2.gz IAFYSKKPLDNEST-JQHSSLGASA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000862252864 886258670 /nfs/dbraw/zinc/25/86/70/886258670.db2.gz IAFYSKKPLDNEST-JQHSSLGASA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000118773357 886260685 /nfs/dbraw/zinc/26/06/85/886260685.db2.gz TXHUBLZLYODPIG-LJQANCHMSA-N 2 1 382.552 3.945 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000118773357 886260706 /nfs/dbraw/zinc/26/07/06/886260706.db2.gz TXHUBLZLYODPIG-LJQANCHMSA-N 2 1 382.552 3.945 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)C2)s1 ZINC000556829835 886284124 /nfs/dbraw/zinc/28/41/24/886284124.db2.gz XLBUKJHKUKKVHT-ZAWLATJESA-N 2 1 377.598 3.598 20 0 GHADMP O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762500454 886294324 /nfs/dbraw/zinc/29/43/24/886294324.db2.gz DAPXXHOBTROUNY-VXKWHMMOSA-N 2 1 381.564 3.723 20 0 GHADMP O=C1[C@H]2CCCCC[C@@H]2N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762500454 886294353 /nfs/dbraw/zinc/29/43/53/886294353.db2.gz DAPXXHOBTROUNY-VXKWHMMOSA-N 2 1 381.564 3.723 20 0 GHADMP O=C1[C@H]2CCCCC[C@H]2N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762500452 886295352 /nfs/dbraw/zinc/29/53/52/886295352.db2.gz DAPXXHOBTROUNY-FCHUYYIVSA-N 2 1 381.564 3.723 20 0 GHADMP O=C1[C@H]2CCCCC[C@H]2N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762500452 886295370 /nfs/dbraw/zinc/29/53/70/886295370.db2.gz DAPXXHOBTROUNY-FCHUYYIVSA-N 2 1 381.564 3.723 20 0 GHADMP COc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+]2CCCCC2)cc1 ZINC000118756820 886309945 /nfs/dbraw/zinc/30/99/45/886309945.db2.gz OVGDOUCEMUVTHW-NRFANRHFSA-N 2 1 398.551 3.749 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869852 886424352 /nfs/dbraw/zinc/42/43/52/886424352.db2.gz KJGANFLIBQJUCJ-DHIUTWEWSA-N 2 1 379.548 3.933 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429549850 886482122 /nfs/dbraw/zinc/48/21/22/886482122.db2.gz VFYFHCIYMSKZOL-JBRSBNLGSA-N 2 1 396.575 3.878 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(OC)cc3)C2)cc1)C(C)C ZINC001170559081 886654761 /nfs/dbraw/zinc/65/47/61/886654761.db2.gz QIAIBSHCNVRNDW-QHCPKHFHSA-N 2 1 395.547 3.712 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(OC)cc3)C2)cc1)C(C)C ZINC001170559081 886654770 /nfs/dbraw/zinc/65/47/70/886654770.db2.gz QIAIBSHCNVRNDW-QHCPKHFHSA-N 2 1 395.547 3.712 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc(C)c1OC(F)F ZINC000556916933 886678293 /nfs/dbraw/zinc/67/82/93/886678293.db2.gz XRULDCAAEOCMNU-IBGZPJMESA-N 2 1 381.511 3.505 20 0 GHADMP Cc1c(Cl)c(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc2ccccc12 ZINC000119585494 886770847 /nfs/dbraw/zinc/77/08/47/886770847.db2.gz CFEMEYFTCMZHLO-DFNIBXOVSA-N 2 1 398.982 3.939 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)C[C@H](C)O1 ZINC000532645282 886817230 /nfs/dbraw/zinc/81/72/30/886817230.db2.gz JKSBWQWNGMHCID-BGYRXZFFSA-N 2 1 394.563 3.855 20 0 GHADMP COCOc1ccc(OC)cc1C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000119326023 886919603 /nfs/dbraw/zinc/91/96/03/886919603.db2.gz PQGAHUJUJRUCRF-UHFFFAOYSA-N 2 1 384.520 3.774 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459271702 886948739 /nfs/dbraw/zinc/94/87/39/886948739.db2.gz WHXPIHVGEAYYKI-URVUXULASA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000459271702 886948754 /nfs/dbraw/zinc/94/87/54/886948754.db2.gz WHXPIHVGEAYYKI-URVUXULASA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000459271702 886948763 /nfs/dbraw/zinc/94/87/63/886948763.db2.gz WHXPIHVGEAYYKI-URVUXULASA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000459354992 887626518 /nfs/dbraw/zinc/62/65/18/887626518.db2.gz VTRYFIAYVOHTRX-KDURUIRLSA-N 2 1 380.536 3.772 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2NC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000459354992 887626527 /nfs/dbraw/zinc/62/65/27/887626527.db2.gz VTRYFIAYVOHTRX-KDURUIRLSA-N 2 1 380.536 3.772 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000459366403 887734532 /nfs/dbraw/zinc/73/45/32/887734532.db2.gz MZDYQZGLSUTVQV-UHFFFAOYSA-N 2 1 391.515 3.837 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000809738749 887774819 /nfs/dbraw/zinc/77/48/19/887774819.db2.gz HXTFCSAXYNUHCF-UHFFFAOYSA-N 3 1 381.564 3.855 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000809756089 887797717 /nfs/dbraw/zinc/79/77/17/887797717.db2.gz PKEINZOWYALVCM-HXUWFJFHSA-N 2 1 379.589 3.687 20 0 GHADMP [NH3+]CCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC001184404224 913188393 /nfs/dbraw/zinc/18/83/93/913188393.db2.gz GJNTZOIVZULVTH-KRWDZBQOSA-N 2 1 389.902 3.683 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000810145063 888212520 /nfs/dbraw/zinc/21/25/20/888212520.db2.gz QNTNYGMBUKLZNQ-XCTGESOMSA-N 2 1 380.479 3.924 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000810261542 888325875 /nfs/dbraw/zinc/32/58/75/888325875.db2.gz FBEMTHSXBHORAB-NMLBUPMWSA-N 2 1 397.604 3.501 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000810261542 888325888 /nfs/dbraw/zinc/32/58/88/888325888.db2.gz FBEMTHSXBHORAB-NMLBUPMWSA-N 2 1 397.604 3.501 20 0 GHADMP CCCCCC[C@@H](CC)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001170601256 888348033 /nfs/dbraw/zinc/34/80/33/888348033.db2.gz YCWHQVKLIPFGHQ-TZIWHRDSSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCCC[C@@H](CC)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001170601256 888348047 /nfs/dbraw/zinc/34/80/47/888348047.db2.gz YCWHQVKLIPFGHQ-TZIWHRDSSA-N 2 1 391.604 3.576 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810460640 888508701 /nfs/dbraw/zinc/50/87/01/888508701.db2.gz WMEZOCWQLVAJBU-NFBKMPQASA-N 2 1 389.559 3.570 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810460640 888508714 /nfs/dbraw/zinc/50/87/14/888508714.db2.gz WMEZOCWQLVAJBU-NFBKMPQASA-N 2 1 389.559 3.570 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810460640 888508729 /nfs/dbraw/zinc/50/87/29/888508729.db2.gz WMEZOCWQLVAJBU-NFBKMPQASA-N 2 1 389.559 3.570 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000810586985 888663614 /nfs/dbraw/zinc/66/36/14/888663614.db2.gz KKXCMHHROIUUFC-UGKGYDQZSA-N 2 1 376.516 3.654 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)OC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000810586985 888663625 /nfs/dbraw/zinc/66/36/25/888663625.db2.gz KKXCMHHROIUUFC-UGKGYDQZSA-N 2 1 376.516 3.654 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000810586985 888663632 /nfs/dbraw/zinc/66/36/32/888663632.db2.gz KKXCMHHROIUUFC-UGKGYDQZSA-N 2 1 376.516 3.654 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2c(ccnc2Cl)o1 ZINC000866389527 888854159 /nfs/dbraw/zinc/85/41/59/888854159.db2.gz USXVKPWRLOCLQX-WMLDXEAASA-N 2 1 385.895 3.899 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cn(-c2ccccc2)nn1 ZINC000154130067 889306465 /nfs/dbraw/zinc/30/64/65/889306465.db2.gz BBKAURGHLPCIHZ-IBGZPJMESA-N 2 1 391.519 3.593 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000868179527 889337793 /nfs/dbraw/zinc/33/77/93/889337793.db2.gz SPJUHGQGLYQMNY-MPQSDHOMSA-N 2 1 392.613 3.522 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000532966998 889402600 /nfs/dbraw/zinc/40/26/00/889402600.db2.gz FRCRVKQPVYRSKS-CVDCTZTESA-N 2 1 397.588 3.762 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644530610 913345114 /nfs/dbraw/zinc/34/51/14/913345114.db2.gz KPMPLAFLOZMFKJ-PKTZIBPZSA-N 2 1 382.548 3.545 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)CC1 ZINC000533078075 889700659 /nfs/dbraw/zinc/70/06/59/889700659.db2.gz MPRFEQFJCQZVDJ-UHFFFAOYSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000465538264 890191952 /nfs/dbraw/zinc/19/19/52/890191952.db2.gz GTNGVKOBERWILB-NJYVYQBISA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000465538264 890191956 /nfs/dbraw/zinc/19/19/56/890191956.db2.gz GTNGVKOBERWILB-NJYVYQBISA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000465538264 890191967 /nfs/dbraw/zinc/19/19/67/890191967.db2.gz GTNGVKOBERWILB-NJYVYQBISA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1)C1CC1 ZINC000126475103 890552454 /nfs/dbraw/zinc/55/24/54/890552454.db2.gz NYKRBPDSRNCKCL-NFBKMPQASA-N 2 1 381.564 3.760 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)C1CC1 ZINC000126475103 890552469 /nfs/dbraw/zinc/55/24/69/890552469.db2.gz NYKRBPDSRNCKCL-NFBKMPQASA-N 2 1 381.564 3.760 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C1CC1 ZINC000126475103 890552482 /nfs/dbraw/zinc/55/24/82/890552482.db2.gz NYKRBPDSRNCKCL-NFBKMPQASA-N 2 1 381.564 3.760 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890303 890566587 /nfs/dbraw/zinc/56/65/87/890566587.db2.gz LFBMNKCMZSGSCS-FPAYPSAMSA-N 2 1 397.485 3.722 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870920944 890576562 /nfs/dbraw/zinc/57/65/62/890576562.db2.gz HXILWKZLJSOGKM-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000420975061 890591163 /nfs/dbraw/zinc/59/11/63/890591163.db2.gz PAXNSBHHGWDAOD-YHBQERECSA-N 2 1 380.532 3.905 20 0 GHADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000420975061 890591180 /nfs/dbraw/zinc/59/11/80/890591180.db2.gz PAXNSBHHGWDAOD-YHBQERECSA-N 2 1 380.532 3.905 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)noc1-c1ccccc1 ZINC000126624004 890621076 /nfs/dbraw/zinc/62/10/76/890621076.db2.gz YTDQFEGCEYRTFQ-LJQANCHMSA-N 2 1 399.539 3.530 20 0 GHADMP CCC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+](Cc2ccccc2)CC1 ZINC000533616353 890978447 /nfs/dbraw/zinc/97/84/47/890978447.db2.gz MATSYFUGQZNIDQ-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127416366 891049322 /nfs/dbraw/zinc/04/93/22/891049322.db2.gz BLUUAKJXBDXAIC-UHFFFAOYSA-N 2 1 399.539 3.658 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000246468382 891267260 /nfs/dbraw/zinc/26/72/60/891267260.db2.gz PVJGXXKREALWKG-YGDZHLNZSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000246468382 891267276 /nfs/dbraw/zinc/26/72/76/891267276.db2.gz PVJGXXKREALWKG-YGDZHLNZSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000246468382 891267282 /nfs/dbraw/zinc/26/72/82/891267282.db2.gz PVJGXXKREALWKG-YGDZHLNZSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581638 891441924 /nfs/dbraw/zinc/44/19/24/891441924.db2.gz OTXMWDJGNDOWME-CTNGQTDRSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581638 891441927 /nfs/dbraw/zinc/44/19/27/891441927.db2.gz OTXMWDJGNDOWME-CTNGQTDRSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581638 891441930 /nfs/dbraw/zinc/44/19/30/891441930.db2.gz OTXMWDJGNDOWME-CTNGQTDRSA-N 2 1 377.617 3.858 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)cc1 ZINC000497418457 891536797 /nfs/dbraw/zinc/53/67/97/891536797.db2.gz PVOJKJGUALLNRH-XZOQPEGZSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000497418457 891536803 /nfs/dbraw/zinc/53/68/03/891536803.db2.gz PVOJKJGUALLNRH-XZOQPEGZSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000497418457 891536806 /nfs/dbraw/zinc/53/68/06/891536806.db2.gz PVOJKJGUALLNRH-XZOQPEGZSA-N 2 1 379.548 3.746 20 0 GHADMP O[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1F ZINC000813371237 891553619 /nfs/dbraw/zinc/55/36/19/891553619.db2.gz SKXRXYGDFBHPHM-JOCHJYFZSA-N 2 1 386.486 3.986 20 0 GHADMP Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128275055 891558848 /nfs/dbraw/zinc/55/88/48/891558848.db2.gz ANADVNKVQIPZIZ-INIZCTEOSA-N 2 1 390.572 3.936 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)C2 ZINC001168270413 891614359 /nfs/dbraw/zinc/61/43/59/891614359.db2.gz YWOUUUHXXRIKTP-HXUWFJFHSA-N 2 1 398.572 3.591 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1cccs1)CCO3)C2 ZINC001168270413 891614368 /nfs/dbraw/zinc/61/43/68/891614368.db2.gz YWOUUUHXXRIKTP-HXUWFJFHSA-N 2 1 398.572 3.591 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000476002181 891993321 /nfs/dbraw/zinc/99/33/21/891993321.db2.gz VSUJHROUJVJHTC-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP CCn1ccnc1C[N@H+](CCSCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261813299 892128535 /nfs/dbraw/zinc/12/85/35/892128535.db2.gz HUJDIZQIDFNDKD-FQEVSTJZSA-N 2 1 384.593 3.781 20 0 GHADMP CCn1ccnc1C[N@@H+](CCSCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261813299 892128544 /nfs/dbraw/zinc/12/85/44/892128544.db2.gz HUJDIZQIDFNDKD-FQEVSTJZSA-N 2 1 384.593 3.781 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000237508359 892140645 /nfs/dbraw/zinc/14/06/45/892140645.db2.gz UBOONDFDNTZLRL-GOSISDBHSA-N 2 1 388.515 3.679 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CCCC1)c1ccccc1 ZINC000497688233 892203835 /nfs/dbraw/zinc/20/38/35/892203835.db2.gz SDKPAXAEUWENPB-NNWRFLSQSA-N 2 1 398.595 3.776 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000611671785 892319631 /nfs/dbraw/zinc/31/96/31/892319631.db2.gz LSUPYXJRRNJMOF-PKTZIBPZSA-N 2 1 394.563 3.768 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000611671785 892319651 /nfs/dbraw/zinc/31/96/51/892319651.db2.gz LSUPYXJRRNJMOF-PKTZIBPZSA-N 2 1 394.563 3.768 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000666843187 892591007 /nfs/dbraw/zinc/59/10/07/892591007.db2.gz SOZPLQFKTAYKHP-FQEVSTJZSA-N 2 1 395.551 3.908 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C1CC1 ZINC000455624177 892811681 /nfs/dbraw/zinc/81/16/81/892811681.db2.gz WAZZBBRNKRLOBT-UHFFFAOYSA-N 2 1 394.563 3.541 20 0 GHADMP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717102 892834287 /nfs/dbraw/zinc/83/42/87/892834287.db2.gz ZOCJZFJFLJUNPQ-REWPJTCUSA-N 3 1 378.564 3.798 20 0 GHADMP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508717102 892834296 /nfs/dbraw/zinc/83/42/96/892834296.db2.gz ZOCJZFJFLJUNPQ-REWPJTCUSA-N 2 1 378.564 3.798 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645153539 913711556 /nfs/dbraw/zinc/71/15/56/913711556.db2.gz DWHPKWXPGVSVNU-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508721172 892971886 /nfs/dbraw/zinc/97/18/86/892971886.db2.gz UCDMQYUWGZVXFQ-QDSKXPNFSA-N 2 1 387.612 3.624 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000498040881 893050811 /nfs/dbraw/zinc/05/08/11/893050811.db2.gz FYHJPBREOJBOJQ-ICSRJNTNSA-N 2 1 392.613 3.648 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674162 893050840 /nfs/dbraw/zinc/05/08/40/893050840.db2.gz NTLBGKYOHPWGBT-VQTJNVASSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674162 893050862 /nfs/dbraw/zinc/05/08/62/893050862.db2.gz NTLBGKYOHPWGBT-VQTJNVASSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cn2)n1 ZINC000162782412 893217581 /nfs/dbraw/zinc/21/75/81/893217581.db2.gz CYMKOAZEBJSSKJ-UHFFFAOYSA-N 2 1 389.547 3.681 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000533892467 893381646 /nfs/dbraw/zinc/38/16/46/893381646.db2.gz PFTGKIZCKNNCAL-DHIUTWEWSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000533892467 893381664 /nfs/dbraw/zinc/38/16/64/893381664.db2.gz PFTGKIZCKNNCAL-DHIUTWEWSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533892467 893381681 /nfs/dbraw/zinc/38/16/81/893381681.db2.gz PFTGKIZCKNNCAL-DHIUTWEWSA-N 2 1 394.563 3.771 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000877008370 893431422 /nfs/dbraw/zinc/43/14/22/893431422.db2.gz JXHNZRIDNSWNIG-WZQKQDCOSA-N 2 1 385.489 3.816 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000459395571 893453041 /nfs/dbraw/zinc/45/30/41/893453041.db2.gz BGZSMLXRSXQBAS-GMAHTHKFSA-N 2 1 393.575 3.566 20 0 GHADMP CC(C)c1ncc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000536667104 893486878 /nfs/dbraw/zinc/48/68/78/893486878.db2.gz ZJZOIHJCYTVYJH-UHFFFAOYSA-N 2 1 378.630 3.895 20 0 GHADMP CCc1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000536679047 893526015 /nfs/dbraw/zinc/52/60/15/893526015.db2.gz UJHJZUQZBJZSAW-UHFFFAOYSA-N 2 1 399.604 3.771 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cnc(C4CC4)nc3)cc2)C[C@H]1C ZINC000459456028 893563745 /nfs/dbraw/zinc/56/37/45/893563745.db2.gz DSQUZYSMHJBETG-KDURUIRLSA-N 2 1 394.563 3.653 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCCO1 ZINC000459504934 893646184 /nfs/dbraw/zinc/64/61/84/893646184.db2.gz JDLVYVQLDMTCLS-IBGZPJMESA-N 2 1 397.567 3.651 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1)CC1CC1 ZINC000536738789 893706139 /nfs/dbraw/zinc/70/61/39/893706139.db2.gz RONKQBAPGSZKTN-UHFFFAOYSA-N 2 1 383.580 3.800 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001137123278 893741712 /nfs/dbraw/zinc/74/17/12/893741712.db2.gz JCTCCSFGKYJJQF-FPOVZHCZSA-N 2 1 385.939 3.581 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(N2CCOCC2)c1 ZINC000556105775 893771532 /nfs/dbraw/zinc/77/15/32/893771532.db2.gz YUGIUSYKZPCXGY-DHIUTWEWSA-N 2 1 379.548 3.757 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(N2CCOCC2)c1 ZINC000556105775 893771544 /nfs/dbraw/zinc/77/15/44/893771544.db2.gz YUGIUSYKZPCXGY-DHIUTWEWSA-N 2 1 379.548 3.757 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000459556389 893800733 /nfs/dbraw/zinc/80/07/33/893800733.db2.gz HTTCROOLJNBMAV-UHFFFAOYSA-N 2 1 381.564 3.740 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)[C@H]1c1cccs1 ZINC000563499091 893830006 /nfs/dbraw/zinc/83/00/06/893830006.db2.gz MEBVDHNQKYDCIT-JXFKEZNVSA-N 2 1 384.549 3.598 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000563500624 893832194 /nfs/dbraw/zinc/83/21/94/893832194.db2.gz SCKRRLJTJAXSNX-ICSRJNTNSA-N 2 1 392.547 3.755 20 0 GHADMP CCCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563509475 893846655 /nfs/dbraw/zinc/84/66/55/893846655.db2.gz PRKXKNMCIQWORX-QFIPXVFZSA-N 2 1 376.504 3.851 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221221 893849429 /nfs/dbraw/zinc/84/94/29/893849429.db2.gz LNJKYSMULLRTQC-BJLQDIEVSA-N 2 1 387.568 3.742 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000459727016 894113765 /nfs/dbraw/zinc/11/37/65/894113765.db2.gz HAEJITWBQPRLAD-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C(C(C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000878291170 894168849 /nfs/dbraw/zinc/16/88/49/894168849.db2.gz HGNKYRXJARVHSP-MYDTUXCISA-N 2 1 390.612 3.510 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2nnc(-c3ccccc3O)o2)CC1)CC1CC1 ZINC000878341107 894205030 /nfs/dbraw/zinc/20/50/30/894205030.db2.gz XDMIVIQYHYENHG-UHFFFAOYSA-N 2 1 384.524 3.776 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(-c3ccccc3O)o2)CC1)CC1CC1 ZINC000878341107 894205042 /nfs/dbraw/zinc/20/50/42/894205042.db2.gz XDMIVIQYHYENHG-UHFFFAOYSA-N 2 1 384.524 3.776 20 0 GHADMP Fc1cccnc1N1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563886202 894296358 /nfs/dbraw/zinc/29/63/58/894296358.db2.gz OXDZIZHSJFIKCV-VQTJNVASSA-N 2 1 380.511 3.586 20 0 GHADMP Fc1cccnc1N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563886202 894296378 /nfs/dbraw/zinc/29/63/78/894296378.db2.gz OXDZIZHSJFIKCV-VQTJNVASSA-N 2 1 380.511 3.586 20 0 GHADMP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563913326 894318843 /nfs/dbraw/zinc/31/88/43/894318843.db2.gz JNCSQYJNWRRHTJ-PMACEKPBSA-N 2 1 386.584 3.826 20 0 GHADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563913326 894318860 /nfs/dbraw/zinc/31/88/60/894318860.db2.gz JNCSQYJNWRRHTJ-PMACEKPBSA-N 2 1 386.584 3.826 20 0 GHADMP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCN1Cc1ccccc1 ZINC000645383316 913865712 /nfs/dbraw/zinc/86/57/12/913865712.db2.gz MVAYKUKULSPGJK-PXDATVDWSA-N 2 1 393.575 3.662 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000564060223 894533871 /nfs/dbraw/zinc/53/38/71/894533871.db2.gz KPMWCTNLPBXZQG-VABKMULXSA-N 2 1 386.580 3.708 20 0 GHADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH+](Cc4ccccc4)C3)sc2C1 ZINC000564100509 894594857 /nfs/dbraw/zinc/59/48/57/894594857.db2.gz UOPLSCSKKYGEJG-QGZVFWFLSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000564100509 894594866 /nfs/dbraw/zinc/59/48/66/894594866.db2.gz UOPLSCSKKYGEJG-QGZVFWFLSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000564100509 894594870 /nfs/dbraw/zinc/59/48/70/894594870.db2.gz UOPLSCSKKYGEJG-QGZVFWFLSA-N 2 1 398.576 3.760 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c2cccs2)CC1 ZINC001135475398 894627809 /nfs/dbraw/zinc/62/78/09/894627809.db2.gz ZFSSROCBKXSMCC-IPMKNSEASA-N 2 1 375.582 3.654 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC(C)(C)CC(F)F ZINC000879101076 894835790 /nfs/dbraw/zinc/83/57/90/894835790.db2.gz ANORUJOIUDMDED-UHFFFAOYSA-N 2 1 387.559 3.713 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc3cc(C(F)(F)F)ccc3c(=O)[nH]1)CC2 ZINC000879249221 894930340 /nfs/dbraw/zinc/93/03/40/894930340.db2.gz JIJZMBNEKABPLM-UHFFFAOYSA-N 2 1 394.441 3.662 20 0 GHADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000564952644 895321416 /nfs/dbraw/zinc/32/14/16/895321416.db2.gz JDKDNHIKFMZNDR-FPOVZHCZSA-N 2 1 398.595 3.730 20 0 GHADMP CC(C)CCn1cccc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565134246 895415144 /nfs/dbraw/zinc/41/51/44/895415144.db2.gz FHGNOHMAYYOHEA-OYRHEFFESA-N 2 1 391.600 3.624 20 0 GHADMP CC(C)CCn1cccc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565134246 895415147 /nfs/dbraw/zinc/41/51/47/895415147.db2.gz FHGNOHMAYYOHEA-OYRHEFFESA-N 2 1 391.600 3.624 20 0 GHADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000880259825 895597857 /nfs/dbraw/zinc/59/78/57/895597857.db2.gz JIJZBNXGCHZLHL-OAHLLOKOSA-N 2 1 392.425 3.640 20 0 GHADMP CN(C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC000565422272 895614222 /nfs/dbraw/zinc/61/42/22/895614222.db2.gz YSEGBBNPBNPMLF-DHIUTWEWSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000817983431 895992544 /nfs/dbraw/zinc/99/25/44/895992544.db2.gz CVDKQYRPRKOAPR-HXUWFJFHSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC001136146856 896173479 /nfs/dbraw/zinc/17/34/79/896173479.db2.gz LJDCXLFQTDSKDJ-XZOQPEGZSA-N 2 1 385.596 3.568 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000566229505 896190496 /nfs/dbraw/zinc/19/04/96/896190496.db2.gz DHGVBRXGUVQWOO-UONOGXRCSA-N 2 1 378.339 3.614 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000566229505 896190503 /nfs/dbraw/zinc/19/05/03/896190503.db2.gz DHGVBRXGUVQWOO-UONOGXRCSA-N 2 1 378.339 3.614 20 0 GHADMP OCC1([NH2+]CC2CC2)CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000566306167 896228869 /nfs/dbraw/zinc/22/88/69/896228869.db2.gz IKJDZTNTTQVFKJ-IWQZZHSRSA-N 2 1 393.369 3.679 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000566424104 896304101 /nfs/dbraw/zinc/30/41/01/896304101.db2.gz INHLINGVYCEWAC-KNBMTAEXSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000566424104 896304109 /nfs/dbraw/zinc/30/41/09/896304109.db2.gz INHLINGVYCEWAC-KNBMTAEXSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000566424104 896304117 /nfs/dbraw/zinc/30/41/17/896304117.db2.gz INHLINGVYCEWAC-KNBMTAEXSA-N 2 1 377.960 3.712 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000566453654 896321438 /nfs/dbraw/zinc/32/14/38/896321438.db2.gz SNQAAYUMWWFSMF-XZOQPEGZSA-N 2 1 383.580 3.635 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)c2)CCO1 ZINC000818974784 896332124 /nfs/dbraw/zinc/33/21/24/896332124.db2.gz FKAMTVRPYCGLTE-QVKFZJNVSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)c2)CCO1 ZINC000818974784 896332141 /nfs/dbraw/zinc/33/21/41/896332141.db2.gz FKAMTVRPYCGLTE-QVKFZJNVSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000289183173 914074850 /nfs/dbraw/zinc/07/48/50/914074850.db2.gz ILLABJZGJUDBKG-MBSDFSHPSA-N 2 1 393.531 3.686 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000289183167 914074986 /nfs/dbraw/zinc/07/49/86/914074986.db2.gz ILLABJZGJUDBKG-JPYJTQIMSA-N 2 1 393.531 3.686 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275665 896561364 /nfs/dbraw/zinc/56/13/64/896561364.db2.gz ZWIJBODQUHFYCP-PXNSSMCTSA-N 2 1 394.437 3.730 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778554537 896595098 /nfs/dbraw/zinc/59/50/98/896595098.db2.gz YEVQXJWOLUIVCZ-ZTCOLXNVSA-N 2 1 391.559 3.678 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136218886 896701206 /nfs/dbraw/zinc/70/12/06/896701206.db2.gz FVLZPMHMVGCRTE-UYAOXDASSA-N 2 1 377.960 3.715 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cnc(C2OCCO2)s1 ZINC000289216409 914091164 /nfs/dbraw/zinc/09/11/64/914091164.db2.gz JAZCUFRHPADGNU-MRXNPFEDSA-N 2 1 387.549 3.853 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289216409 914091171 /nfs/dbraw/zinc/09/11/71/914091171.db2.gz JAZCUFRHPADGNU-MRXNPFEDSA-N 2 1 387.549 3.853 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289216409 914091181 /nfs/dbraw/zinc/09/11/81/914091181.db2.gz JAZCUFRHPADGNU-MRXNPFEDSA-N 2 1 387.549 3.853 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H]4CC[C@H]3c3ccccc34)CC2)CC1 ZINC000882746195 896951273 /nfs/dbraw/zinc/95/12/73/896951273.db2.gz WZBBJRLFWMCDJZ-CVDCTZTESA-N 2 1 381.564 3.644 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000774942615 914118084 /nfs/dbraw/zinc/11/80/84/914118084.db2.gz ODMYSKMPDYKUTE-UHFFFAOYSA-N 2 1 389.337 3.880 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c3c(nn2C)CCSC3)cc1 ZINC000882889611 897077846 /nfs/dbraw/zinc/07/78/46/897077846.db2.gz DTFZIYRCWHHQEY-QGZVFWFLSA-N 2 1 384.593 3.874 20 0 GHADMP COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000130967989 897276733 /nfs/dbraw/zinc/27/67/33/897276733.db2.gz JERWUDGJJNOFKG-QRQCRPRQSA-N 2 1 381.476 3.582 20 0 GHADMP Cn1nc2c(c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)CSCC2 ZINC000883123226 897301498 /nfs/dbraw/zinc/30/14/98/897301498.db2.gz QQRVQCNDSQPPSX-IBGZPJMESA-N 2 1 384.593 3.601 20 0 GHADMP Cn1nc2c(c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)CSCC2 ZINC000883123226 897301510 /nfs/dbraw/zinc/30/15/10/897301510.db2.gz QQRVQCNDSQPPSX-IBGZPJMESA-N 2 1 384.593 3.601 20 0 GHADMP Fc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CCOCC2)cc1 ZINC000883166635 897334684 /nfs/dbraw/zinc/33/46/84/897334684.db2.gz FOODOGYZPJINFP-XMMPIXPASA-N 2 1 398.522 3.915 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(C4OCCO4)s3)cc2)C1 ZINC000289344634 914150557 /nfs/dbraw/zinc/15/05/57/914150557.db2.gz WQIGRRSUKJWCRW-MRXNPFEDSA-N 2 1 387.549 3.710 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC23CC3)cc1 ZINC000883254182 897406725 /nfs/dbraw/zinc/40/67/25/897406725.db2.gz MGUQVLPVWCTRIU-YADHBBJMSA-N 2 1 384.564 3.749 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC23CC3)cc1 ZINC000883254182 897406736 /nfs/dbraw/zinc/40/67/36/897406736.db2.gz MGUQVLPVWCTRIU-YADHBBJMSA-N 2 1 384.564 3.749 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(Br)c1OC ZINC000567871135 897463803 /nfs/dbraw/zinc/46/38/03/897463803.db2.gz RXPFVOHLLMZJCX-HZPDHXFCSA-N 2 1 397.357 3.678 20 0 GHADMP OC1(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000883343560 897511080 /nfs/dbraw/zinc/51/10/80/897511080.db2.gz RFYLDBXZDURCCH-JOCHJYFZSA-N 2 1 390.531 3.506 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)s1 ZINC000568045584 897555516 /nfs/dbraw/zinc/55/55/16/897555516.db2.gz FTJUPTLWQPLVSW-QUCCMNQESA-N 2 1 377.598 3.600 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)s1 ZINC000568045584 897555530 /nfs/dbraw/zinc/55/55/30/897555530.db2.gz FTJUPTLWQPLVSW-QUCCMNQESA-N 2 1 377.598 3.600 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)s1 ZINC000568045584 897555539 /nfs/dbraw/zinc/55/55/39/897555539.db2.gz FTJUPTLWQPLVSW-QUCCMNQESA-N 2 1 377.598 3.600 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(OC(C)C)c3)CC2)CC1 ZINC000568209319 897676268 /nfs/dbraw/zinc/67/62/68/897676268.db2.gz USLKJKRFUSVFNK-UHFFFAOYSA-N 2 1 387.568 3.917 20 0 GHADMP Cc1ncc2n1CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C2 ZINC000289446046 914190306 /nfs/dbraw/zinc/19/03/06/914190306.db2.gz BDRZYRWOCGHEJC-IBGZPJMESA-N 2 1 394.563 3.835 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C2 ZINC000289446046 914190316 /nfs/dbraw/zinc/19/03/16/914190316.db2.gz BDRZYRWOCGHEJC-IBGZPJMESA-N 2 1 394.563 3.835 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C2 ZINC000289446046 914190321 /nfs/dbraw/zinc/19/03/21/914190321.db2.gz BDRZYRWOCGHEJC-IBGZPJMESA-N 2 1 394.563 3.835 20 0 GHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2C1 ZINC000568603076 897973786 /nfs/dbraw/zinc/97/37/86/897973786.db2.gz GJAAMDFFZPQJHK-LJQANCHMSA-N 2 1 387.593 3.814 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822871083 898702157 /nfs/dbraw/zinc/70/21/57/898702157.db2.gz ZXHODDVZXKEINE-KYNGSXCRSA-N 2 1 389.367 3.753 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646625 914277741 /nfs/dbraw/zinc/27/77/41/914277741.db2.gz MOSNHKMPBWRVSN-XMMPIXPASA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646625 914277754 /nfs/dbraw/zinc/27/77/54/914277754.db2.gz MOSNHKMPBWRVSN-XMMPIXPASA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646625 914277767 /nfs/dbraw/zinc/27/77/67/914277767.db2.gz MOSNHKMPBWRVSN-XMMPIXPASA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-c2ccncc2)n1 ZINC000289646625 914277778 /nfs/dbraw/zinc/27/77/78/914277778.db2.gz MOSNHKMPBWRVSN-XMMPIXPASA-N 2 1 387.531 3.580 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cc(O)cc(C(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC000569533263 898756414 /nfs/dbraw/zinc/75/64/14/898756414.db2.gz CRILISIWPIHMJP-UHFFFAOYSA-N 2 1 380.414 3.576 20 0 GHADMP c1cncc([C@H]2CC[NH+](Cc3cncc(C[N@@H+]4CC[C@@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807453 898964080 /nfs/dbraw/zinc/96/40/80/898964080.db2.gz GXMKYLOJTXRSLL-PLQXJYEYSA-N 2 1 399.542 3.851 20 0 GHADMP c1cncc([C@H]2CC[NH+](Cc3cncc(C[N@H+]4CC[C@@H](c5cccnc5)C4)c3)C2)c1 ZINC000569807453 898964092 /nfs/dbraw/zinc/96/40/92/898964092.db2.gz GXMKYLOJTXRSLL-PLQXJYEYSA-N 2 1 399.542 3.851 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000569815670 898967882 /nfs/dbraw/zinc/96/78/82/898967882.db2.gz BJUNGOLVNKBANK-UHFFFAOYSA-N 2 1 390.597 3.719 20 0 GHADMP CCC[N@H+](Cc1cc(F)ncc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000823453376 899033486 /nfs/dbraw/zinc/03/34/86/899033486.db2.gz NDFCCUZENKEKQI-UHFFFAOYSA-N 2 1 375.467 3.648 20 0 GHADMP CCC[N@@H+](Cc1cc(F)ncc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000823453376 899033503 /nfs/dbraw/zinc/03/35/03/899033503.db2.gz NDFCCUZENKEKQI-UHFFFAOYSA-N 2 1 375.467 3.648 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC000331692900 899085534 /nfs/dbraw/zinc/08/55/34/899085534.db2.gz BVEFZQXZENDCPC-SUMWQHHRSA-N 2 1 380.330 3.663 20 0 GHADMP COc1nc2ccccc2cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001137203996 899137414 /nfs/dbraw/zinc/13/74/14/899137414.db2.gz SVBFYORZQKYZFV-IRLDBZIGSA-N 2 1 388.515 3.592 20 0 GHADMP COc1nc2ccccc2cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001137203996 899137418 /nfs/dbraw/zinc/13/74/18/899137418.db2.gz SVBFYORZQKYZFV-IRLDBZIGSA-N 2 1 388.515 3.592 20 0 GHADMP COc1nc2ccccc2cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001137203996 899137425 /nfs/dbraw/zinc/13/74/25/899137425.db2.gz SVBFYORZQKYZFV-IRLDBZIGSA-N 2 1 388.515 3.592 20 0 GHADMP COc1nc2ccccc2cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001137203996 899137433 /nfs/dbraw/zinc/13/74/33/899137433.db2.gz SVBFYORZQKYZFV-IRLDBZIGSA-N 2 1 388.515 3.592 20 0 GHADMP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000570387373 899297296 /nfs/dbraw/zinc/29/72/96/899297296.db2.gz LFCPJBMOCSIPCY-UHFFFAOYSA-N 2 1 394.563 3.985 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803573 899336665 /nfs/dbraw/zinc/33/66/65/899336665.db2.gz FPGYLYHUNKSNHO-HKUYNNGSSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803573 899336682 /nfs/dbraw/zinc/33/66/82/899336682.db2.gz FPGYLYHUNKSNHO-HKUYNNGSSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803573 899336699 /nfs/dbraw/zinc/33/66/99/899336699.db2.gz FPGYLYHUNKSNHO-HKUYNNGSSA-N 2 1 397.485 3.516 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171041707 899355196 /nfs/dbraw/zinc/35/51/96/899355196.db2.gz BWOJFCGXEIKNQT-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171041707 899355212 /nfs/dbraw/zinc/35/52/12/899355212.db2.gz BWOJFCGXEIKNQT-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171041707 899355224 /nfs/dbraw/zinc/35/52/24/899355224.db2.gz BWOJFCGXEIKNQT-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)C[C@H](O)c2ccccc2)CC1 ZINC000824058427 899365021 /nfs/dbraw/zinc/36/50/21/899365021.db2.gz MSSFDOVHYZFZFU-SFTDATJTSA-N 2 1 376.585 3.740 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045873 899392493 /nfs/dbraw/zinc/39/24/93/899392493.db2.gz SFIPBRINIKLTQX-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045873 899392508 /nfs/dbraw/zinc/39/25/08/899392508.db2.gz SFIPBRINIKLTQX-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045873 899392517 /nfs/dbraw/zinc/39/25/17/899392517.db2.gz SFIPBRINIKLTQX-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000570622716 899449134 /nfs/dbraw/zinc/44/91/34/899449134.db2.gz JKYAIKGNJSYWEV-VDNWNZSNSA-N 2 1 395.551 3.613 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000570622716 899449146 /nfs/dbraw/zinc/44/91/46/899449146.db2.gz JKYAIKGNJSYWEV-VDNWNZSNSA-N 2 1 395.551 3.613 20 0 GHADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C[NH3+] ZINC000570727647 899537619 /nfs/dbraw/zinc/53/76/19/899537619.db2.gz SBBGSCTXCQLCFB-RDBSUJKOSA-N 2 1 378.314 3.909 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C[NH3+] ZINC000570727647 899537625 /nfs/dbraw/zinc/53/76/25/899537625.db2.gz SBBGSCTXCQLCFB-RDBSUJKOSA-N 2 1 378.314 3.909 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553921 899684979 /nfs/dbraw/zinc/68/49/79/899684979.db2.gz KPCGLNFQAQVUBL-ZIPUMODLSA-N 2 1 388.519 3.713 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824949573 899902400 /nfs/dbraw/zinc/90/24/00/899902400.db2.gz YCFXHFQTXNAGFK-ZWKOTPCHSA-N 2 1 390.535 3.949 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC(CC[NH3+])CC1)C1CCCCC1 ZINC000571768833 899968557 /nfs/dbraw/zinc/96/85/57/899968557.db2.gz KLNJAKWKUMNTQH-UHFFFAOYSA-N 2 1 386.584 3.722 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)cc1Cl ZINC001143711098 900418450 /nfs/dbraw/zinc/41/84/50/900418450.db2.gz VSGQGBCETJQUMO-DLBZAZTESA-N 2 1 375.866 3.569 20 0 GHADMP Brc1cccc(-c2cnc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)o2)c1 ZINC000844222749 900589365 /nfs/dbraw/zinc/58/93/65/900589365.db2.gz KRVNIIVDLCDDTF-UHFFFAOYSA-N 2 1 376.298 3.680 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328595 900700975 /nfs/dbraw/zinc/70/09/75/900700975.db2.gz KZLZMMNGJUGOAB-MGPUTAFESA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328595 900700989 /nfs/dbraw/zinc/70/09/89/900700989.db2.gz KZLZMMNGJUGOAB-MGPUTAFESA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328595 900701001 /nfs/dbraw/zinc/70/10/01/900701001.db2.gz KZLZMMNGJUGOAB-MGPUTAFESA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328595 900701012 /nfs/dbraw/zinc/70/10/12/900701012.db2.gz KZLZMMNGJUGOAB-MGPUTAFESA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCNC(=O)OC(C)(C)C)C2)s1 ZINC000844327858 900733604 /nfs/dbraw/zinc/73/36/04/900733604.db2.gz UTGYBGKPFFBOMI-QGZVFWFLSA-N 2 1 381.586 3.725 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCNC(=O)OC(C)(C)C)C2)s1 ZINC000844327858 900733615 /nfs/dbraw/zinc/73/36/15/900733615.db2.gz UTGYBGKPFFBOMI-QGZVFWFLSA-N 2 1 381.586 3.725 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCNC(=O)OC(C)(C)C)C2)s1 ZINC000844327858 900733627 /nfs/dbraw/zinc/73/36/27/900733627.db2.gz UTGYBGKPFFBOMI-QGZVFWFLSA-N 2 1 381.586 3.725 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000886298665 900923395 /nfs/dbraw/zinc/92/33/95/900923395.db2.gz GNZXUOUHFQUANN-PUHATCMVSA-N 2 1 386.580 3.995 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC000886298665 900923402 /nfs/dbraw/zinc/92/34/02/900923402.db2.gz GNZXUOUHFQUANN-PUHATCMVSA-N 2 1 386.580 3.995 20 0 GHADMP CCc1noc([C@H](C)[NH+](C)[C@H]2CC[C@H]([N@H+](C)[C@@H](C)c3nc(CC)no3)CC2)n1 ZINC000886393868 900978580 /nfs/dbraw/zinc/97/85/80/900978580.db2.gz GHMHBEGZCQXISP-VGWMRTNUSA-N 2 1 390.532 3.574 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3cnn(C)c3)C(C)C)CC2)cs1 ZINC000886526601 901124885 /nfs/dbraw/zinc/12/48/85/901124885.db2.gz OHFFVPGWCLGRJF-HXUWFJFHSA-N 2 1 375.586 3.638 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000575248963 901181486 /nfs/dbraw/zinc/18/14/86/901181486.db2.gz ZDAMOQNZZLZYNK-UTKZUKDTSA-N 2 1 388.939 3.895 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)Cc2ccccc21 ZINC000844710248 901185525 /nfs/dbraw/zinc/18/55/25/901185525.db2.gz PFCFDQJTWXEJQK-FQEVSTJZSA-N 2 1 385.552 3.817 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886638214 901201730 /nfs/dbraw/zinc/20/17/30/901201730.db2.gz OCBVAYOQYGVNEN-NHFPKVKZSA-N 2 1 378.564 3.774 20 0 GHADMP Cc1[nH]c(C2CC[NH+](CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)[nH+]c1C ZINC000886661090 901212416 /nfs/dbraw/zinc/21/24/16/901212416.db2.gz MDOGCUQIIOZVQN-KRWDZBQOSA-N 2 1 376.545 3.853 20 0 GHADMP CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575752969 901276042 /nfs/dbraw/zinc/27/60/42/901276042.db2.gz UAHROZQPXYNIHW-QHCPKHFHSA-N 2 1 391.559 3.575 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc4ccccc4c(OC)c3)CC2)CC1 ZINC000887079827 901425657 /nfs/dbraw/zinc/42/56/57/901425657.db2.gz AFMVLTQOAXRYLB-UHFFFAOYSA-N 2 1 395.547 3.983 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)c(C)n2n1 ZINC000093404954 901543255 /nfs/dbraw/zinc/54/32/55/901543255.db2.gz QNCGXMQCXTUMFF-WIYYLYMNSA-N 2 1 377.536 3.561 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)c(C)n2n1 ZINC000093404954 901543267 /nfs/dbraw/zinc/54/32/67/901543267.db2.gz QNCGXMQCXTUMFF-WIYYLYMNSA-N 2 1 377.536 3.561 20 0 GHADMP CCc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001144323293 901739205 /nfs/dbraw/zinc/73/92/05/901739205.db2.gz WJHGTNPQZBCRTM-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001144323293 901739216 /nfs/dbraw/zinc/73/92/16/901739216.db2.gz WJHGTNPQZBCRTM-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001144323293 901739228 /nfs/dbraw/zinc/73/92/28/901739228.db2.gz WJHGTNPQZBCRTM-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001144323293 901739241 /nfs/dbraw/zinc/73/92/41/901739241.db2.gz WJHGTNPQZBCRTM-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265855 901891009 /nfs/dbraw/zinc/89/10/09/901891009.db2.gz CGJCOBBNEZBXQC-GDBMZVCRSA-N 2 1 386.483 3.652 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265855 901891024 /nfs/dbraw/zinc/89/10/24/901891024.db2.gz CGJCOBBNEZBXQC-GDBMZVCRSA-N 2 1 386.483 3.652 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@H]1C ZINC000576265855 901891029 /nfs/dbraw/zinc/89/10/29/901891029.db2.gz CGJCOBBNEZBXQC-GDBMZVCRSA-N 2 1 386.483 3.652 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000124988841 902148389 /nfs/dbraw/zinc/14/83/89/902148389.db2.gz NFZSJRSEZSTEPI-KRWDZBQOSA-N 2 1 387.549 3.568 20 0 GHADMP c1c2cccnc2oc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000576699559 902202222 /nfs/dbraw/zinc/20/22/22/902202222.db2.gz LUCHPZOOFOGDRE-NRFANRHFSA-N 2 1 391.515 3.846 20 0 GHADMP Cc1cc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cn2cc[nH+]c12 ZINC000576711094 902210193 /nfs/dbraw/zinc/21/01/93/902210193.db2.gz XINLYBKAMZDNDT-QGZVFWFLSA-N 2 1 377.492 3.990 20 0 GHADMP CCC[C@]1(CO)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@](CO)(CCC)C3)cc2)C1 ZINC000577022216 902437962 /nfs/dbraw/zinc/43/79/62/902437962.db2.gz MWQYDDCCQGNMET-ZEQRLZLVSA-N 2 1 388.596 3.656 20 0 GHADMP CC(C)(C)OC(=O)NCCC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000845919215 902502465 /nfs/dbraw/zinc/50/24/65/902502465.db2.gz FWOXSZHOJFHSKN-UHFFFAOYSA-N 2 1 387.568 3.934 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC1 ZINC000779002577 902692127 /nfs/dbraw/zinc/69/21/27/902692127.db2.gz HPTWPZPPBGYFDT-SFTDATJTSA-N 2 1 387.568 3.854 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)c2cc1C(C)C ZINC000846226331 902800885 /nfs/dbraw/zinc/80/08/85/902800885.db2.gz WYJCFVKFRCVTOG-LQBOVUBWSA-N 2 1 398.547 3.943 20 0 GHADMP COc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000577483393 902812345 /nfs/dbraw/zinc/81/23/45/902812345.db2.gz JVMSEMHFHZKJNE-CHWSQXEVSA-N 2 1 392.135 3.580 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000846311148 902875514 /nfs/dbraw/zinc/87/55/14/902875514.db2.gz RZZWUUBOMFLIGS-CEXWTWQISA-N 2 1 396.535 3.539 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000779019575 902953259 /nfs/dbraw/zinc/95/32/59/902953259.db2.gz PKTBSUSJJPWMQZ-VDZJLULYSA-N 2 1 388.556 3.692 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000779019575 902953264 /nfs/dbraw/zinc/95/32/64/902953264.db2.gz PKTBSUSJJPWMQZ-VDZJLULYSA-N 2 1 388.556 3.692 20 0 GHADMP CC(C)[N@@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC001171250461 903175656 /nfs/dbraw/zinc/17/56/56/903175656.db2.gz YLFZZJJWIMLEDJ-RPWUZVMVSA-N 2 1 393.575 3.891 20 0 GHADMP CC(C)[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC001171250461 903175661 /nfs/dbraw/zinc/17/56/61/903175661.db2.gz YLFZZJJWIMLEDJ-RPWUZVMVSA-N 2 1 393.575 3.891 20 0 GHADMP CC(C)[NH+](C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC001171250461 903175665 /nfs/dbraw/zinc/17/56/65/903175665.db2.gz YLFZZJJWIMLEDJ-RPWUZVMVSA-N 2 1 393.575 3.891 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(N2CCCC2)n1 ZINC000577787178 903190570 /nfs/dbraw/zinc/19/05/70/903190570.db2.gz CEEURSMWAGCKRJ-AUSIDOKSSA-N 2 1 378.564 3.990 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000600997149 903206314 /nfs/dbraw/zinc/20/63/14/903206314.db2.gz UWNLKYDSDITYJQ-LEWJYISDSA-N 2 1 383.580 3.548 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000846834260 903255543 /nfs/dbraw/zinc/25/55/43/903255543.db2.gz NCSQBOAIXBPKHS-DEOSSOPVSA-N 2 1 375.516 3.689 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000846834260 903255552 /nfs/dbraw/zinc/25/55/52/903255552.db2.gz NCSQBOAIXBPKHS-DEOSSOPVSA-N 2 1 375.516 3.689 20 0 GHADMP C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000577866584 903286678 /nfs/dbraw/zinc/28/66/78/903286678.db2.gz WAJVHTOEOPFMFH-OFNKIYASSA-N 2 1 391.559 3.837 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(NCc3ccccc3N3CC[NH2+]CC3)c(C)c2)CC1 ZINC001171281987 903586702 /nfs/dbraw/zinc/58/67/02/903586702.db2.gz VZNZYZYMMQXXAJ-UHFFFAOYSA-N 2 1 391.563 3.521 20 0 GHADMP C[C@H](c1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)[NH+]1CCOCC1 ZINC000265400084 903865899 /nfs/dbraw/zinc/86/58/99/903865899.db2.gz QCQGBGNXYNQVPD-MRXNPFEDSA-N 2 1 388.556 3.511 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000779079486 903987974 /nfs/dbraw/zinc/98/79/74/903987974.db2.gz SKIBLUZLVBXWCR-IEZWGBDMSA-N 2 1 390.572 3.938 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)CC2)CC1 ZINC001148953072 904256753 /nfs/dbraw/zinc/25/67/53/904256753.db2.gz UEWMRGDFPXWOMC-UHFFFAOYSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)CC2)CC1 ZINC001148953072 904256770 /nfs/dbraw/zinc/25/67/70/904256770.db2.gz UEWMRGDFPXWOMC-UHFFFAOYSA-N 2 1 385.596 3.520 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nc1 ZINC000579195383 904415938 /nfs/dbraw/zinc/41/59/38/904415938.db2.gz CRKSLYGRVDABPU-LJQANCHMSA-N 2 1 380.536 3.883 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001171590992 904818668 /nfs/dbraw/zinc/81/86/68/904818668.db2.gz FMRHTVQSFWIVIL-AOIWGVFYSA-N 2 1 378.561 3.985 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001171590992 904818681 /nfs/dbraw/zinc/81/86/81/904818681.db2.gz FMRHTVQSFWIVIL-AOIWGVFYSA-N 2 1 378.561 3.985 20 0 GHADMP COc1cccc(C[NH+]2CCC(N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171732781 904958699 /nfs/dbraw/zinc/95/86/99/904958699.db2.gz FHWBCOURDQULMU-RDPSFJRHSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(C[NH+]2CCC(N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171732781 904958713 /nfs/dbraw/zinc/95/87/13/904958713.db2.gz FHWBCOURDQULMU-RDPSFJRHSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC001171768144 905011052 /nfs/dbraw/zinc/01/10/52/905011052.db2.gz SLORLYSFARHAFM-AKAGGGOCSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[NH+]1Cc1ccccc1 ZINC001171768144 905011059 /nfs/dbraw/zinc/01/10/59/905011059.db2.gz SLORLYSFARHAFM-AKAGGGOCSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[NH+]1Cc1ccccc1 ZINC001171768144 905011078 /nfs/dbraw/zinc/01/10/78/905011078.db2.gz SLORLYSFARHAFM-AKAGGGOCSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C[N@H+]1Cc1ccccc1 ZINC001171768149 905011162 /nfs/dbraw/zinc/01/11/62/905011162.db2.gz SLORLYSFARHAFM-ZBCONREDSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[NH+]1Cc1ccccc1 ZINC001171768149 905011181 /nfs/dbraw/zinc/01/11/81/905011181.db2.gz SLORLYSFARHAFM-ZBCONREDSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[NH+]1Cc1ccccc1 ZINC001171768149 905011201 /nfs/dbraw/zinc/01/12/01/905011201.db2.gz SLORLYSFARHAFM-ZBCONREDSA-N 2 1 375.560 3.856 20 0 GHADMP Fc1cccc2c1C[C@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccccc1)CCO3)C2 ZINC001171801823 905063346 /nfs/dbraw/zinc/06/33/46/905063346.db2.gz RLPZBMDXIUQKLL-OAQYLSRUSA-N 2 1 380.507 3.660 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171872049 905076573 /nfs/dbraw/zinc/07/65/73/905076573.db2.gz VKHIJKBHOGCHDO-NRFANRHFSA-N 2 1 392.547 3.643 20 0 GHADMP C[N@H+](C1CC1)C1CC[NH+](C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001171999380 905210809 /nfs/dbraw/zinc/21/08/09/905210809.db2.gz SBSYSGJXBKOUSZ-UHFFFAOYSA-N 2 1 392.385 3.977 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001171999380 905210824 /nfs/dbraw/zinc/21/08/24/905210824.db2.gz SBSYSGJXBKOUSZ-UHFFFAOYSA-N 2 1 392.385 3.977 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3ccnn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171980132 905229271 /nfs/dbraw/zinc/22/92/71/905229271.db2.gz SOVYHZVQTWSMRD-OAQYLSRUSA-N 2 1 375.520 3.800 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171981984 905234496 /nfs/dbraw/zinc/23/44/96/905234496.db2.gz FOHNYBMYDHSGOG-RDPSFJRHSA-N 2 1 380.532 3.690 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171981249 905235418 /nfs/dbraw/zinc/23/54/18/905235418.db2.gz NARNEMFHJYFJBQ-VABKMULXSA-N 2 1 395.591 3.905 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171981249 905235435 /nfs/dbraw/zinc/23/54/35/905235435.db2.gz NARNEMFHJYFJBQ-VABKMULXSA-N 2 1 395.591 3.905 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001171981249 905235450 /nfs/dbraw/zinc/23/54/50/905235450.db2.gz NARNEMFHJYFJBQ-VABKMULXSA-N 2 1 395.591 3.905 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001171981249 905235467 /nfs/dbraw/zinc/23/54/67/905235467.db2.gz NARNEMFHJYFJBQ-VABKMULXSA-N 2 1 395.591 3.905 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCN(c3cccc(O)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171986126 905244850 /nfs/dbraw/zinc/24/48/50/905244850.db2.gz FJKBNHJYSGKXFA-JOCHJYFZSA-N 2 1 379.548 3.957 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCN(c3cccc(O)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171986126 905244856 /nfs/dbraw/zinc/24/48/56/905244856.db2.gz FJKBNHJYSGKXFA-JOCHJYFZSA-N 2 1 379.548 3.957 20 0 GHADMP O=C1Nc2ccccc2[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070621 905273228 /nfs/dbraw/zinc/27/32/28/905273228.db2.gz QDRVVGLAFFRJTF-KEZQHZCBSA-N 2 1 375.516 3.898 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC001172072767 905277395 /nfs/dbraw/zinc/27/73/95/905277395.db2.gz MWZVIKSJLQUETK-WBDAEOGXSA-N 2 1 383.580 3.858 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]CCn2nnc4ccccc42)C3)cc1 ZINC001172073725 905282470 /nfs/dbraw/zinc/28/24/70/905282470.db2.gz SHLFJAXDQCQQOI-MZADTFQBSA-N 2 1 375.520 3.607 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N(c2ncccn2)[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001172075749 905284869 /nfs/dbraw/zinc/28/48/69/905284869.db2.gz SPCAPWBVGBWSGE-GSPCLOLRSA-N 2 1 391.563 3.621 20 0 GHADMP CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172076083 905288467 /nfs/dbraw/zinc/28/84/67/905288467.db2.gz ZNWOOSUCKXXEKB-AFXVXQJMSA-N 2 1 395.591 3.762 20 0 GHADMP Cn1cnnc1C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172082123 905293943 /nfs/dbraw/zinc/29/39/43/905293943.db2.gz JNRKVWCNRHSFIA-KOUNCHBCSA-N 2 1 379.552 3.580 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088767 905306528 /nfs/dbraw/zinc/30/65/28/905306528.db2.gz OAVYISBTCDAYPX-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088767 905306543 /nfs/dbraw/zinc/30/65/43/905306543.db2.gz OAVYISBTCDAYPX-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088767 905306559 /nfs/dbraw/zinc/30/65/59/905306559.db2.gz OAVYISBTCDAYPX-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088767 905306576 /nfs/dbraw/zinc/30/65/76/905306576.db2.gz OAVYISBTCDAYPX-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172098147 905319755 /nfs/dbraw/zinc/31/97/55/905319755.db2.gz ANYZIXXXGSROFO-FCGDIQPGSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172098147 905319771 /nfs/dbraw/zinc/31/97/71/905319771.db2.gz ANYZIXXXGSROFO-FCGDIQPGSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172098146 905320576 /nfs/dbraw/zinc/32/05/76/905320576.db2.gz ANYZIXXXGSROFO-AKHDSKFASA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172098146 905320596 /nfs/dbraw/zinc/32/05/96/905320596.db2.gz ANYZIXXXGSROFO-AKHDSKFASA-N 2 1 377.573 3.771 20 0 GHADMP O=C(C1CC1)N1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063048 905323931 /nfs/dbraw/zinc/32/39/31/905323931.db2.gz VVCARRPUUOIKBX-NUNAXRQHSA-N 2 1 381.564 3.563 20 0 GHADMP OC[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001172069593 905336305 /nfs/dbraw/zinc/33/63/05/905336305.db2.gz RMLFISZVUBRUFF-SLHNCBLASA-N 2 1 382.470 3.675 20 0 GHADMP OC[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001172069593 905336322 /nfs/dbraw/zinc/33/63/22/905336322.db2.gz RMLFISZVUBRUFF-SLHNCBLASA-N 2 1 382.470 3.675 20 0 GHADMP OC[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001172069593 905336339 /nfs/dbraw/zinc/33/63/39/905336339.db2.gz RMLFISZVUBRUFF-SLHNCBLASA-N 2 1 382.470 3.675 20 0 GHADMP OC[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069017 905338448 /nfs/dbraw/zinc/33/84/48/905338448.db2.gz NFNBDKUBIWSMHE-YRPNKDGESA-N 2 1 382.470 3.819 20 0 GHADMP OC[C@]1(C(F)(F)F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069017 905338462 /nfs/dbraw/zinc/33/84/62/905338462.db2.gz NFNBDKUBIWSMHE-YRPNKDGESA-N 2 1 382.470 3.819 20 0 GHADMP OC[C@]1(C(F)(F)F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069017 905338481 /nfs/dbraw/zinc/33/84/81/905338481.db2.gz NFNBDKUBIWSMHE-YRPNKDGESA-N 2 1 382.470 3.819 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(OCC(=O)OC(C)(C)C)cc1)C2 ZINC001172111978 905359888 /nfs/dbraw/zinc/35/98/88/905359888.db2.gz YGKMSLFYTBTLDX-OWZKRDHZSA-N 2 1 388.552 3.555 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)c4ccccc4)C3)CC1)C2 ZINC001172119306 905375560 /nfs/dbraw/zinc/37/55/60/905375560.db2.gz UHOYDCYIVDXCHI-KOUNCHBCSA-N 2 1 381.564 3.630 20 0 GHADMP CNC(=O)C[C@H]1CC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001172121763 905377575 /nfs/dbraw/zinc/37/75/75/905377575.db2.gz MFUOANIPKJBRPC-UWHLTILDSA-N 2 1 395.591 3.659 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121102 905379164 /nfs/dbraw/zinc/37/91/64/905379164.db2.gz OSSDPDDZHRWQCV-JYLXEMOASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121102 905379175 /nfs/dbraw/zinc/37/91/75/905379175.db2.gz OSSDPDDZHRWQCV-JYLXEMOASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121102 905379186 /nfs/dbraw/zinc/37/91/86/905379186.db2.gz OSSDPDDZHRWQCV-JYLXEMOASA-N 2 1 377.573 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001172121109 905380847 /nfs/dbraw/zinc/38/08/47/905380847.db2.gz OWQZDEQZSRODAN-BWTSREIZSA-N 2 1 377.573 3.867 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C1)C2 ZINC001172122302 905384736 /nfs/dbraw/zinc/38/47/36/905384736.db2.gz ZJRZHYVWHPMLRQ-GFEQUFNTSA-N 2 1 395.563 3.577 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C1)C2 ZINC001172122302 905384751 /nfs/dbraw/zinc/38/47/51/905384751.db2.gz ZJRZHYVWHPMLRQ-GFEQUFNTSA-N 2 1 395.563 3.577 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C1)C2 ZINC001172122302 905384768 /nfs/dbraw/zinc/38/47/68/905384768.db2.gz ZJRZHYVWHPMLRQ-GFEQUFNTSA-N 2 1 395.563 3.577 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H](C3(NC(=O)OC(C)(C)C)CC3)[C@H](CF)C1)C2 ZINC001172122302 905384781 /nfs/dbraw/zinc/38/47/81/905384781.db2.gz ZJRZHYVWHPMLRQ-GFEQUFNTSA-N 2 1 395.563 3.577 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC(n2cc[nH+]c2CCC[NH3+])CC1 ZINC001172214230 905417440 /nfs/dbraw/zinc/41/74/40/905417440.db2.gz VNMSYEAHAVHIEM-UHFFFAOYSA-N 2 1 375.900 3.654 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC001172255764 905450422 /nfs/dbraw/zinc/45/04/22/905450422.db2.gz NCIQOSCKJGTMCD-QGZVFWFLSA-N 2 1 381.358 3.739 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC001172255764 905450434 /nfs/dbraw/zinc/45/04/34/905450434.db2.gz NCIQOSCKJGTMCD-QGZVFWFLSA-N 2 1 381.358 3.739 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C[C@@H]1C ZINC001172374458 905487788 /nfs/dbraw/zinc/48/77/88/905487788.db2.gz QQEVRUBKTIDFBA-ZFGGDYGUSA-N 2 1 397.607 3.868 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172329899 905495103 /nfs/dbraw/zinc/49/51/03/905495103.db2.gz LJOQMRRHASDITC-TWGBQZSLSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172329899 905495109 /nfs/dbraw/zinc/49/51/09/905495109.db2.gz LJOQMRRHASDITC-TWGBQZSLSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001172329899 905495120 /nfs/dbraw/zinc/49/51/20/905495120.db2.gz LJOQMRRHASDITC-TWGBQZSLSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001172329899 905495123 /nfs/dbraw/zinc/49/51/23/905495123.db2.gz LJOQMRRHASDITC-TWGBQZSLSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001172342427 905509138 /nfs/dbraw/zinc/50/91/38/905509138.db2.gz YXBLLHTXJSWKEQ-SFTDATJTSA-N 2 1 389.584 3.590 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H](C)CCOC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172443706 905562946 /nfs/dbraw/zinc/56/29/46/905562946.db2.gz HGKTWCCRLMQQIO-DUXKGJEZSA-N 2 1 376.541 3.749 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172467656 905579916 /nfs/dbraw/zinc/57/99/16/905579916.db2.gz SJIRHNVSAUGKTF-PMACEKPBSA-N 2 1 378.557 3.786 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+]([C@H]4CC[C@@H](c5ccccc5)C4)C3)O2)CC1 ZINC001172557970 905620324 /nfs/dbraw/zinc/62/03/24/905620324.db2.gz HNXYKFGIYAMEHU-ZFFYZDHPSA-N 2 1 397.607 3.584 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+]([C@H]4CC[C@@H](c5ccccc5)C4)C3)O2)CC1 ZINC001172557970 905620326 /nfs/dbraw/zinc/62/03/26/905620326.db2.gz HNXYKFGIYAMEHU-ZFFYZDHPSA-N 2 1 397.607 3.584 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+]([C@H]4CC[C@@H](c5ccccc5)C4)C3)O2)CC1 ZINC001172557970 905620329 /nfs/dbraw/zinc/62/03/29/905620329.db2.gz HNXYKFGIYAMEHU-ZFFYZDHPSA-N 2 1 397.607 3.584 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000801583571 921162080 /nfs/dbraw/zinc/16/20/80/921162080.db2.gz ZWXCOXZYZHSPCL-VXKWHMMOSA-N 2 1 393.531 3.902 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000801583571 921162086 /nfs/dbraw/zinc/16/20/86/921162086.db2.gz ZWXCOXZYZHSPCL-VXKWHMMOSA-N 2 1 393.531 3.902 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172536215 905639995 /nfs/dbraw/zinc/63/99/95/905639995.db2.gz NAFYHELIOGCQPN-VABKMULXSA-N 2 1 385.596 3.981 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC001172640807 905702156 /nfs/dbraw/zinc/70/21/56/905702156.db2.gz CPUFKFCGWSUATN-VQQMMKBISA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC001172640802 905702455 /nfs/dbraw/zinc/70/24/55/905702455.db2.gz CPUFKFCGWSUATN-JPAWQOSXSA-N 2 1 379.589 3.828 20 0 GHADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172686631 905739021 /nfs/dbraw/zinc/73/90/21/905739021.db2.gz FRUMQPOBCKGGKC-HSZRJFAPSA-N 2 1 383.580 3.907 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001172715893 905764312 /nfs/dbraw/zinc/76/43/12/905764312.db2.gz IPBWZRINIFZVPK-HXUWFJFHSA-N 2 1 384.955 3.548 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001172759292 905802902 /nfs/dbraw/zinc/80/29/02/905802902.db2.gz QCKYNICHVJCXJQ-IBGZPJMESA-N 2 1 387.568 3.878 20 0 GHADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001172889730 905977523 /nfs/dbraw/zinc/97/75/23/905977523.db2.gz HBCUGVUVTJIFIY-UHFFFAOYSA-N 2 1 391.943 3.775 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628218699 906019101 /nfs/dbraw/zinc/01/91/01/906019101.db2.gz NQTGQXAKKAFULI-FPOVZHCZSA-N 2 1 392.465 3.721 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628218699 906019112 /nfs/dbraw/zinc/01/91/12/906019112.db2.gz NQTGQXAKKAFULI-FPOVZHCZSA-N 2 1 392.465 3.721 20 0 GHADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000177529880 906155874 /nfs/dbraw/zinc/15/58/74/906155874.db2.gz HQELQLZLMXHWPW-IBGZPJMESA-N 2 1 383.540 3.860 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000177529880 906155879 /nfs/dbraw/zinc/15/58/79/906155879.db2.gz HQELQLZLMXHWPW-IBGZPJMESA-N 2 1 383.540 3.860 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)CC1 ZINC001173111272 906199057 /nfs/dbraw/zinc/19/90/57/906199057.db2.gz URGCOTHEYCJVNZ-OVKIHRCZSA-N 2 1 397.607 3.904 20 0 GHADMP CCOC[C@@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2c1cnn2CC1CC1 ZINC001173112242 906200885 /nfs/dbraw/zinc/20/08/85/906200885.db2.gz YNYYIKMMPSWGEZ-MWXLCCTBSA-N 2 1 388.600 3.882 20 0 GHADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2c1cnn2CC1CC1 ZINC001173112242 906200905 /nfs/dbraw/zinc/20/09/05/906200905.db2.gz YNYYIKMMPSWGEZ-MWXLCCTBSA-N 2 1 388.600 3.882 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2CCn3c(CCc4ccccc4)nnc3C2)CC1 ZINC001173117415 906204274 /nfs/dbraw/zinc/20/42/74/906204274.db2.gz KSMXJGDXHKGKOU-UHFFFAOYSA-N 2 1 381.568 3.532 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCn3c(CCc4ccccc4)nnc3C2)CC1 ZINC001173117415 906204285 /nfs/dbraw/zinc/20/42/85/906204285.db2.gz KSMXJGDXHKGKOU-UHFFFAOYSA-N 2 1 381.568 3.532 20 0 GHADMP [NH3+]C1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173123907 906208163 /nfs/dbraw/zinc/20/81/63/906208163.db2.gz BATSKRHXNTVSJK-OAHLLOKOSA-N 2 1 381.467 3.969 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC[N@H+]1C ZINC000177913547 906242915 /nfs/dbraw/zinc/24/29/15/906242915.db2.gz GOOGQWKXABLLPF-YJBOKZPZSA-N 2 1 381.358 3.570 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@@H+](C1CCC(Oc3ccccc3)CC1)CC2 ZINC001173201119 906285366 /nfs/dbraw/zinc/28/53/66/906285366.db2.gz CUYGBIHAOUTWAG-UHFFFAOYSA-N 2 1 394.563 3.727 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001173208656 906325592 /nfs/dbraw/zinc/32/55/92/906325592.db2.gz AFBJWDMHTJJJCR-NFBKMPQASA-N 2 1 393.575 3.739 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001173208656 906325603 /nfs/dbraw/zinc/32/56/03/906325603.db2.gz AFBJWDMHTJJJCR-NFBKMPQASA-N 2 1 393.575 3.739 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001173208656 906325622 /nfs/dbraw/zinc/32/56/22/906325622.db2.gz AFBJWDMHTJJJCR-NFBKMPQASA-N 2 1 393.575 3.739 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+]1C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C1)CC2 ZINC001173613132 906540506 /nfs/dbraw/zinc/54/05/06/906540506.db2.gz SSFNFPFIBVUEJG-YWKVRDNFSA-N 2 1 396.575 3.871 20 0 GHADMP C[C@@H]1CC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173680342 906619121 /nfs/dbraw/zinc/61/91/21/906619121.db2.gz RWGTUTGCEXSAPT-IAGOWNOFSA-N 3 1 398.636 3.638 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206212490 906650182 /nfs/dbraw/zinc/65/01/82/906650182.db2.gz RUOVOGAZPITASJ-OALUTQOASA-N 2 1 376.447 3.771 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206212490 906650188 /nfs/dbraw/zinc/65/01/88/906650188.db2.gz RUOVOGAZPITASJ-OALUTQOASA-N 2 1 376.447 3.771 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718732 906668918 /nfs/dbraw/zinc/66/89/18/906668918.db2.gz LWPDOSGQSLAPNF-VDGAXYAQSA-N 2 1 384.545 3.530 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000180172752 906707381 /nfs/dbraw/zinc/70/73/81/906707381.db2.gz VKCUDKVFUGIFNT-FRIKZZABSA-N 2 1 398.572 3.765 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000180172752 906707394 /nfs/dbraw/zinc/70/73/94/906707394.db2.gz VKCUDKVFUGIFNT-FRIKZZABSA-N 2 1 398.572 3.765 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629563021 906868455 /nfs/dbraw/zinc/86/84/55/906868455.db2.gz OSUXYZIMTYKEPW-MJGOQNOKSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629563021 906868465 /nfs/dbraw/zinc/86/84/65/906868465.db2.gz OSUXYZIMTYKEPW-MJGOQNOKSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1C(F)(F)F ZINC000629564203 906870251 /nfs/dbraw/zinc/87/02/51/906870251.db2.gz RZPDRXFIDZJYEW-PKOBYXMFSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1C(F)(F)F ZINC000629564203 906870270 /nfs/dbraw/zinc/87/02/70/906870270.db2.gz RZPDRXFIDZJYEW-PKOBYXMFSA-N 2 1 379.426 3.620 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc2ccc(Cl)cc2n1C ZINC000182263843 907173910 /nfs/dbraw/zinc/17/39/10/907173910.db2.gz AWISTKDPBIOTOE-BEFAXECRSA-N 2 1 398.938 3.644 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc2ccc(Cl)cc2n1C ZINC000182263843 907173920 /nfs/dbraw/zinc/17/39/20/907173920.db2.gz AWISTKDPBIOTOE-BEFAXECRSA-N 2 1 398.938 3.644 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001175155661 907383334 /nfs/dbraw/zinc/38/33/34/907383334.db2.gz BWUMBOHONVMAEG-QHCPKHFHSA-N 2 1 385.596 3.618 20 0 GHADMP COc1ccccc1[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001175620249 907670758 /nfs/dbraw/zinc/67/07/58/907670758.db2.gz BAFFUZVWKMLKOC-FCHUYYIVSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001175620249 907670765 /nfs/dbraw/zinc/67/07/65/907670765.db2.gz BAFFUZVWKMLKOC-FCHUYYIVSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001175620249 907670773 /nfs/dbraw/zinc/67/07/73/907670773.db2.gz BAFFUZVWKMLKOC-FCHUYYIVSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001175620249 907670782 /nfs/dbraw/zinc/67/07/82/907670782.db2.gz BAFFUZVWKMLKOC-FCHUYYIVSA-N 2 1 382.548 3.758 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CCN1c1cc[nH+]cc1 ZINC001175774849 907738857 /nfs/dbraw/zinc/73/88/57/907738857.db2.gz KYDCWIKVKAAKFN-AWEZNQCLSA-N 2 1 394.288 3.573 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722462 907822093 /nfs/dbraw/zinc/82/20/93/907822093.db2.gz DIJWATVUHUZABC-HUUCEWRRSA-N 2 1 379.932 3.530 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722462 907822107 /nfs/dbraw/zinc/82/21/07/907822107.db2.gz DIJWATVUHUZABC-HUUCEWRRSA-N 2 1 379.932 3.530 20 0 GHADMP C[C@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186469713 907929654 /nfs/dbraw/zinc/92/96/54/907929654.db2.gz GUHFIDXPHSFKOM-DOTOQJQBSA-N 2 1 387.959 3.878 20 0 GHADMP C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000186469763 907929836 /nfs/dbraw/zinc/92/98/36/907929836.db2.gz GUHFIDXPHSFKOM-WBVHZDCISA-N 2 1 387.959 3.878 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C4CCCC4)C3)cc2)CC1 ZINC001176941184 908321693 /nfs/dbraw/zinc/32/16/93/908321693.db2.gz ZURCVUMDBXJUMZ-OAQYLSRUSA-N 2 1 398.595 3.669 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC001177294952 908499290 /nfs/dbraw/zinc/49/92/90/908499290.db2.gz UIRSOJOUWVNFLB-YVMONPNESA-N 2 1 385.502 3.905 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001178291580 908990150 /nfs/dbraw/zinc/99/01/50/908990150.db2.gz ZBTYALZBXWGXSA-GOSISDBHSA-N 2 1 394.437 3.674 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001178291580 908990162 /nfs/dbraw/zinc/99/01/62/908990162.db2.gz ZBTYALZBXWGXSA-GOSISDBHSA-N 2 1 394.437 3.674 20 0 GHADMP COc1c(C)ccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1C ZINC000637928751 910003923 /nfs/dbraw/zinc/00/39/23/910003923.db2.gz FSQRICUAJYKNOK-UHFFFAOYSA-N 2 1 381.520 3.634 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268782202 910013454 /nfs/dbraw/zinc/01/34/54/910013454.db2.gz DHLYGYSPAVINNO-WMZHIEFXSA-N 2 1 385.596 3.914 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268782202 910013470 /nfs/dbraw/zinc/01/34/70/910013470.db2.gz DHLYGYSPAVINNO-WMZHIEFXSA-N 2 1 385.596 3.914 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000268812491 910029346 /nfs/dbraw/zinc/02/93/46/910029346.db2.gz LESOYUMYHFMGJK-QGZVFWFLSA-N 2 1 387.490 3.696 20 0 GHADMP CC(=O)N1CC[C@H](C[N@H+](C)C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000638181588 910077151 /nfs/dbraw/zinc/07/71/51/910077151.db2.gz HWCXEBJHXVYVEA-ISKFKSNPSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638181588 910077166 /nfs/dbraw/zinc/07/71/66/910077166.db2.gz HWCXEBJHXVYVEA-ISKFKSNPSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638181588 910077183 /nfs/dbraw/zinc/07/71/83/910077183.db2.gz HWCXEBJHXVYVEA-ISKFKSNPSA-N 2 1 385.596 3.725 20 0 GHADMP COc1nsc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000638308011 910111544 /nfs/dbraw/zinc/11/15/44/910111544.db2.gz HSMSPPXRADZJEH-UHFFFAOYSA-N 2 1 396.354 3.800 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429640 910135845 /nfs/dbraw/zinc/13/58/45/910135845.db2.gz IRUGKFGAWVFYTN-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429640 910135850 /nfs/dbraw/zinc/13/58/50/910135850.db2.gz IRUGKFGAWVFYTN-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429640 910135857 /nfs/dbraw/zinc/13/58/57/910135857.db2.gz IRUGKFGAWVFYTN-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429109 910136080 /nfs/dbraw/zinc/13/60/80/910136080.db2.gz AWIUDGCVSDHLBN-LUKWVAJMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429109 910136088 /nfs/dbraw/zinc/13/60/88/910136088.db2.gz AWIUDGCVSDHLBN-LUKWVAJMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429109 910136095 /nfs/dbraw/zinc/13/60/95/910136095.db2.gz AWIUDGCVSDHLBN-LUKWVAJMSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccn(C(F)F)c2=O)C[N@H+]1Cc1ccccc1 ZINC000638797678 910240032 /nfs/dbraw/zinc/24/00/32/910240032.db2.gz VBWDNAMWYKAZSR-SJLPKXTDSA-N 2 1 375.463 3.634 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000269714742 910340688 /nfs/dbraw/zinc/34/06/88/910340688.db2.gz RPTJCNKXQSKIJR-OALUTQOASA-N 2 1 394.519 3.559 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001181471602 910784448 /nfs/dbraw/zinc/78/44/48/910784448.db2.gz ISBOOPAPIKTDFS-UAFMIMERSA-N 2 1 379.589 3.875 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N1Cc2ccccc2C[C@H]1C[NH3+])c1ccccc1 ZINC001182244724 911327881 /nfs/dbraw/zinc/32/78/81/911327881.db2.gz PETLNZJFQBFXRO-DQEYMECFSA-N 2 1 399.538 3.772 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N1Cc2ccccc2C[C@H]1C[NH3+])c1ccccc1 ZINC001182244724 911327902 /nfs/dbraw/zinc/32/79/02/911327902.db2.gz PETLNZJFQBFXRO-DQEYMECFSA-N 2 1 399.538 3.772 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000641943431 911617090 /nfs/dbraw/zinc/61/70/90/911617090.db2.gz XJFRUYCUPFTRIL-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000641943431 911617097 /nfs/dbraw/zinc/61/70/97/911617097.db2.gz XJFRUYCUPFTRIL-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000641943431 911617099 /nfs/dbraw/zinc/61/70/99/911617099.db2.gz XJFRUYCUPFTRIL-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284043541 911731877 /nfs/dbraw/zinc/73/18/77/911731877.db2.gz RWBKGFYRTJMGKY-OALUTQOASA-N 2 1 391.968 3.931 20 0 GHADMP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001182939711 912170455 /nfs/dbraw/zinc/17/04/55/912170455.db2.gz RUSUJUVOYPMIJF-VWLOTQADSA-N 2 1 399.538 3.601 20 0 GHADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186931283 914879139 /nfs/dbraw/zinc/87/91/39/914879139.db2.gz TYUIODDXJCMWEY-OAQYLSRUSA-N 2 1 379.504 3.669 20 0 GHADMP CC(C)C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288887 915138819 /nfs/dbraw/zinc/13/88/19/915138819.db2.gz TYIXSRZCVAHMFU-GOTSBHOMSA-N 2 1 394.563 3.656 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000647978360 915461618 /nfs/dbraw/zinc/46/16/18/915461618.db2.gz QIDZJMJDHFLBLW-IRXDYDNUSA-N 2 1 385.474 3.562 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000292369355 915639323 /nfs/dbraw/zinc/63/93/23/915639323.db2.gz ZBXVPJDXVMRKDF-GLYQVZKVSA-N 2 1 398.522 3.650 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000648901787 915931048 /nfs/dbraw/zinc/93/10/48/915931048.db2.gz ZMMHVJAACUHMGO-CVDCTZTESA-N 2 1 380.536 3.521 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000648901787 915931058 /nfs/dbraw/zinc/93/10/58/915931058.db2.gz ZMMHVJAACUHMGO-CVDCTZTESA-N 2 1 380.536 3.521 20 0 GHADMP CC1(C)C[NH+](Cc2cc(C[N@H+]3CCCOC(C)(C)C3)ccc2F)CCCO1 ZINC000649316021 916098654 /nfs/dbraw/zinc/09/86/54/916098654.db2.gz METRRHWREDQWMC-UHFFFAOYSA-N 2 1 378.532 3.828 20 0 GHADMP CC1(C)C[NH+](Cc2ccc(F)c(C[N@@H+]3CCCOC(C)(C)C3)c2)CCCO1 ZINC000649316021 916098666 /nfs/dbraw/zinc/09/86/66/916098666.db2.gz METRRHWREDQWMC-UHFFFAOYSA-N 2 1 378.532 3.828 20 0 GHADMP CC1(C)C[NH+](Cc2ccc(F)c(C[N@H+]3CCCOC(C)(C)C3)c2)CCCO1 ZINC000649316021 916098684 /nfs/dbraw/zinc/09/86/84/916098684.db2.gz METRRHWREDQWMC-UHFFFAOYSA-N 2 1 378.532 3.828 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000649378500 916129384 /nfs/dbraw/zinc/12/93/84/916129384.db2.gz AYRURYMKULRLCT-NRFANRHFSA-N 2 1 397.607 3.811 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2)cs1 ZINC000649417774 916148019 /nfs/dbraw/zinc/14/80/19/916148019.db2.gz FLWDWSNBLKHKFC-RBUKOAKNSA-N 2 1 398.576 3.769 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294682981 916931898 /nfs/dbraw/zinc/93/18/98/916931898.db2.gz SQOLTGOHSOJPMJ-ZHDKGAKHSA-N 2 1 387.543 3.730 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000294682981 916931908 /nfs/dbraw/zinc/93/19/08/916931908.db2.gz SQOLTGOHSOJPMJ-ZHDKGAKHSA-N 2 1 387.543 3.730 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362077019 917065373 /nfs/dbraw/zinc/06/53/73/917065373.db2.gz ICOHZFULSBLHPV-MJGOQNOKSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000362077019 917065381 /nfs/dbraw/zinc/06/53/81/917065381.db2.gz ICOHZFULSBLHPV-MJGOQNOKSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1ccc(C[C@H]2CCC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001190682366 917510525 /nfs/dbraw/zinc/51/05/25/917510525.db2.gz HCRSRKSEUOQMQS-ISKFKSNPSA-N 2 1 393.575 3.669 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000652125410 917809751 /nfs/dbraw/zinc/80/97/51/917809751.db2.gz RSWKSKWCIWQKPO-LJQANCHMSA-N 2 1 394.563 3.637 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H]1CC[NH3+] ZINC000652353838 917879346 /nfs/dbraw/zinc/87/93/46/917879346.db2.gz FJWMQDWNRHNVNN-LZNRXBQRSA-N 2 1 385.577 3.793 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000652364077 917883185 /nfs/dbraw/zinc/88/31/85/917883185.db2.gz WVEJQDSSHMUIPZ-URVUXULASA-N 2 1 390.531 3.862 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381788959 919697111 /nfs/dbraw/zinc/69/71/11/919697111.db2.gz JVWQYASMTKPPLT-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000800504883 920205754 /nfs/dbraw/zinc/20/57/54/920205754.db2.gz GTSWLNKYTNJPNL-BARLJUNZSA-N 2 1 391.559 3.706 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2Br)CC1 ZINC000298139245 920245581 /nfs/dbraw/zinc/24/55/81/920245581.db2.gz OCPUDIYHGILTOP-UHFFFAOYSA-N 2 1 382.346 3.582 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367325225 922041018 /nfs/dbraw/zinc/04/10/18/922041018.db2.gz BGHHCNLPFSRDDL-QHCPKHFHSA-N 2 1 380.536 3.521 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367325225 922041030 /nfs/dbraw/zinc/04/10/30/922041030.db2.gz BGHHCNLPFSRDDL-QHCPKHFHSA-N 2 1 380.536 3.521 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(C[NH+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367450698 922113328 /nfs/dbraw/zinc/11/33/28/922113328.db2.gz PEGDAUSIMMMYPU-DNQXCXABSA-N 2 1 384.564 3.692 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517917 922251656 /nfs/dbraw/zinc/25/16/56/922251656.db2.gz ORVWLKJEGRLQDQ-KVJIRVJXSA-N 3 1 378.564 3.800 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cn1 ZINC000902947480 922628132 /nfs/dbraw/zinc/62/81/32/922628132.db2.gz JIRDGRJRGWJOJY-RDTXWAMCSA-N 2 1 379.426 3.518 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cn1 ZINC000902947480 922628135 /nfs/dbraw/zinc/62/81/35/922628135.db2.gz JIRDGRJRGWJOJY-RDTXWAMCSA-N 2 1 379.426 3.518 20 0 GHADMP c1cc(C[C@@H]2CC[NH+](CCCC[N@H+]3CC[C@@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368485458 922706318 /nfs/dbraw/zinc/70/63/18/922706318.db2.gz HTSJEIKCQRDQOV-ZEQRLZLVSA-N 2 1 378.564 3.686 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cnn(CC2CCC2)c1 ZINC000903076258 922751866 /nfs/dbraw/zinc/75/18/66/922751866.db2.gz MDCWJOKXKQYCAS-OALUTQOASA-N 2 1 382.552 3.755 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cnn(CC2CCC2)c1 ZINC000903076258 922751869 /nfs/dbraw/zinc/75/18/69/922751869.db2.gz MDCWJOKXKQYCAS-OALUTQOASA-N 2 1 382.552 3.755 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cnn(CC2CCC2)c1 ZINC000903076257 922752110 /nfs/dbraw/zinc/75/21/10/922752110.db2.gz MDCWJOKXKQYCAS-MOPGFXCFSA-N 2 1 382.552 3.755 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cnn(CC2CCC2)c1 ZINC000903076257 922752114 /nfs/dbraw/zinc/75/21/14/922752114.db2.gz MDCWJOKXKQYCAS-MOPGFXCFSA-N 2 1 382.552 3.755 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(C)(C)C1 ZINC000903214077 922859112 /nfs/dbraw/zinc/85/91/12/922859112.db2.gz WXABRMUTXQSVOZ-DQXYTYHJSA-N 2 1 377.573 3.769 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090823 923104413 /nfs/dbraw/zinc/10/44/13/923104413.db2.gz GQSQPAMBPVQAJC-BEFAXECRSA-N 2 1 394.441 3.560 20 0 GHADMP C[N@@H+]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090823 923104430 /nfs/dbraw/zinc/10/44/30/923104430.db2.gz GQSQPAMBPVQAJC-BEFAXECRSA-N 2 1 394.441 3.560 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090823 923104453 /nfs/dbraw/zinc/10/44/53/923104453.db2.gz GQSQPAMBPVQAJC-BEFAXECRSA-N 2 1 394.441 3.560 20 0 GHADMP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919477 923399805 /nfs/dbraw/zinc/39/98/05/923399805.db2.gz CUKWNVQHKNPAHG-APWZRJJASA-N 2 1 391.947 3.742 20 0 GHADMP C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000370267490 923997492 /nfs/dbraw/zinc/99/74/92/923997492.db2.gz YXWHYUKGHMJXMZ-KRWDZBQOSA-N 2 1 392.613 3.647 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000677130852 924251993 /nfs/dbraw/zinc/25/19/93/924251993.db2.gz XSRSWCNPKIKAEK-QHCPKHFHSA-N 2 1 385.502 3.879 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000677476885 924373671 /nfs/dbraw/zinc/37/36/71/924373671.db2.gz JENBKYGWFBVLNF-DHIUTWEWSA-N 2 1 392.547 3.700 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000677476885 924373681 /nfs/dbraw/zinc/37/36/81/924373681.db2.gz JENBKYGWFBVLNF-DHIUTWEWSA-N 2 1 392.547 3.700 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000371483178 924606277 /nfs/dbraw/zinc/60/62/77/924606277.db2.gz UQKQHWSQSJIYLY-XZOQPEGZSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371483178 924606280 /nfs/dbraw/zinc/60/62/80/924606280.db2.gz UQKQHWSQSJIYLY-XZOQPEGZSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000371483178 924606288 /nfs/dbraw/zinc/60/62/88/924606288.db2.gz UQKQHWSQSJIYLY-XZOQPEGZSA-N 2 1 377.532 3.675 20 0 GHADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678128629 924621955 /nfs/dbraw/zinc/62/19/55/924621955.db2.gz UYZMLPKYMCXYTJ-UHFFFAOYSA-N 2 1 390.531 3.979 20 0 GHADMP C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678128629 924621961 /nfs/dbraw/zinc/62/19/61/924621961.db2.gz UYZMLPKYMCXYTJ-UHFFFAOYSA-N 2 1 390.531 3.979 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000678282733 924706095 /nfs/dbraw/zinc/70/60/95/924706095.db2.gz GCCRBJJDJZZVBR-DEOSSOPVSA-N 2 1 382.548 3.889 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000678338898 924732220 /nfs/dbraw/zinc/73/22/20/924732220.db2.gz IANATDRCJRCQOJ-XFIJJGBISA-N 2 1 376.541 3.556 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000678338898 924732228 /nfs/dbraw/zinc/73/22/28/924732228.db2.gz IANATDRCJRCQOJ-XFIJJGBISA-N 2 1 376.541 3.556 20 0 GHADMP Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(-c2cc3ccccc3o2)n1 ZINC000678339000 924732931 /nfs/dbraw/zinc/73/29/31/924732931.db2.gz LACKFIFKTSMRDS-DYXWJJEUSA-N 2 1 394.519 3.517 20 0 GHADMP Cn1cc(C[N@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(-c2cc3ccccc3o2)n1 ZINC000678339000 924732938 /nfs/dbraw/zinc/73/29/38/924732938.db2.gz LACKFIFKTSMRDS-DYXWJJEUSA-N 2 1 394.519 3.517 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000409637482 924833142 /nfs/dbraw/zinc/83/31/42/924833142.db2.gz XMVWEVHGGBRLAE-IBGZPJMESA-N 2 1 379.548 3.591 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000409637482 924833146 /nfs/dbraw/zinc/83/31/46/924833146.db2.gz XMVWEVHGGBRLAE-IBGZPJMESA-N 2 1 379.548 3.591 20 0 GHADMP CCc1ccccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371858563 924916125 /nfs/dbraw/zinc/91/61/25/924916125.db2.gz LSYYIGSHJJAJLK-UHFFFAOYSA-N 2 1 386.584 3.909 20 0 GHADMP CC(C)N1CC[C@H](NC(=O)[C@@H]2CCCCN2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679116195 925033717 /nfs/dbraw/zinc/03/37/17/925033717.db2.gz OSMYABDEUYIFHY-GBESFXJTSA-N 2 1 381.923 3.603 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000679174582 925052250 /nfs/dbraw/zinc/05/22/50/925052250.db2.gz MSBHZZGBMLJSFD-VQTJNVASSA-N 2 1 384.568 3.580 20 0 GHADMP O=C(CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1 ZINC000679435178 925140281 /nfs/dbraw/zinc/14/02/81/925140281.db2.gz BDFUUOWDDODRKE-UHFFFAOYSA-N 2 1 388.309 3.629 20 0 GHADMP C[C@H](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000680314374 925438454 /nfs/dbraw/zinc/43/84/54/925438454.db2.gz RINAXHQKLFUJNV-RTWAWAEBSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000680326729 925444187 /nfs/dbraw/zinc/44/41/87/925444187.db2.gz HOXSCHCHJVQDTN-UHFFFAOYSA-N 2 1 375.520 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCNc1ccccn1 ZINC000410355220 925559322 /nfs/dbraw/zinc/55/93/22/925559322.db2.gz QFTRUABWLQGBAK-LJQANCHMSA-N 2 1 395.551 3.757 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[NH+](C4CCCC4)CC3)cc2)C1 ZINC000410366628 925575212 /nfs/dbraw/zinc/57/52/12/925575212.db2.gz HPQSMGSTVGOWOL-FQEVSTJZSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000681081723 925716948 /nfs/dbraw/zinc/71/69/48/925716948.db2.gz FKIQXRBTBTZXNP-HNAYVOBHSA-N 2 1 381.358 3.613 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000411153543 926141522 /nfs/dbraw/zinc/14/15/22/926141522.db2.gz JLFGEPNLDHKALW-QFIPXVFZSA-N 2 1 395.547 3.714 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000411380187 926348143 /nfs/dbraw/zinc/34/81/43/926348143.db2.gz CMBMYWZZYUZJON-OFNKIYASSA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000411380187 926348155 /nfs/dbraw/zinc/34/81/55/926348155.db2.gz CMBMYWZZYUZJON-OFNKIYASSA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000411380187 926348163 /nfs/dbraw/zinc/34/81/63/926348163.db2.gz CMBMYWZZYUZJON-OFNKIYASSA-N 2 1 393.575 3.944 20 0 GHADMP O=C1CC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]2N1C1CC1 ZINC000411402332 926362941 /nfs/dbraw/zinc/36/29/41/926362941.db2.gz ZZCVBZZUURVZLB-GMAHTHKFSA-N 2 1 381.564 3.648 20 0 GHADMP O=C1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]2N1C1CC1 ZINC000411397709 926367642 /nfs/dbraw/zinc/36/76/42/926367642.db2.gz MOBCNEFKSMXVCQ-GMAHTHKFSA-N 2 1 381.564 3.648 20 0 GHADMP CSc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518830 926485276 /nfs/dbraw/zinc/48/52/76/926485276.db2.gz QKSVRFDCYCQZQP-SJORKVTESA-N 2 1 375.582 3.980 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000411549827 926510981 /nfs/dbraw/zinc/51/09/81/926510981.db2.gz ICPPKUARWVVJTM-UGKGYDQZSA-N 2 1 397.563 3.895 20 0 GHADMP CC(=O)NCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCSCC1 ZINC000411691216 926650281 /nfs/dbraw/zinc/65/02/81/926650281.db2.gz IXEBQEICRSXBAN-UHFFFAOYSA-N 2 1 389.609 3.506 20 0 GHADMP COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411816031 926806146 /nfs/dbraw/zinc/80/61/46/926806146.db2.gz KZJGWQPYDVWNMJ-UHFFFAOYSA-N 2 1 384.568 3.671 20 0 GHADMP COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411816031 926806156 /nfs/dbraw/zinc/80/61/56/926806156.db2.gz KZJGWQPYDVWNMJ-UHFFFAOYSA-N 2 1 384.568 3.671 20 0 GHADMP C[C@@H]1[C@H](CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000412065673 927053060 /nfs/dbraw/zinc/05/30/60/927053060.db2.gz CYXCIZDYCSUIPM-JYWFKMLOSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749448950 927109180 /nfs/dbraw/zinc/10/91/80/927109180.db2.gz AYKICSFLILEPBQ-AQNXPRMDSA-N 2 1 387.568 3.542 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(Cl)nc2)c1)C1CCOCC1 ZINC000751501124 928224111 /nfs/dbraw/zinc/22/41/11/928224111.db2.gz CEJJNXBUQPRKQG-UHFFFAOYSA-N 2 1 389.927 3.514 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)[C@@H](c2ccccc2)C1 ZINC000467315079 928950036 /nfs/dbraw/zinc/95/00/36/928950036.db2.gz YZPUBOHAAOWHBE-PKTZIBPZSA-N 2 1 382.527 3.640 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000467348108 928984242 /nfs/dbraw/zinc/98/42/42/928984242.db2.gz VWBHNMACSFGISL-OIBXWCBGSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000467412054 929046065 /nfs/dbraw/zinc/04/60/65/929046065.db2.gz GKTPFPUXRZWVDY-KUHUBIRLSA-N 2 1 380.891 3.804 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469759631 930142528 /nfs/dbraw/zinc/14/25/28/930142528.db2.gz BBAZQIZNIJCBSN-QLPKVWCKSA-N 2 1 394.428 3.947 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470022560 930323551 /nfs/dbraw/zinc/32/35/51/930323551.db2.gz NSOMOPOZYAEPJN-FUNVUKJBSA-N 2 1 375.257 3.765 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470022560 930323555 /nfs/dbraw/zinc/32/35/55/930323555.db2.gz NSOMOPOZYAEPJN-FUNVUKJBSA-N 2 1 375.257 3.765 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(CSc3ccccc3)CC2)CC1 ZINC000546725813 930384521 /nfs/dbraw/zinc/38/45/21/930384521.db2.gz ZLNXAQODRKALOR-UHFFFAOYSA-N 2 1 396.560 3.735 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)C ZINC000470225493 930466868 /nfs/dbraw/zinc/46/68/68/930466868.db2.gz AUZUNNDDKRHTIE-FQEVSTJZSA-N 2 1 377.548 3.663 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470884693 930998992 /nfs/dbraw/zinc/99/89/92/930998992.db2.gz YTGUIPZSZIJFRS-FPOVZHCZSA-N 2 1 398.595 3.585 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470884694 930999004 /nfs/dbraw/zinc/99/90/04/930999004.db2.gz YTGUIPZSZIJFRS-PZJWPPBQSA-N 2 1 398.595 3.585 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2)C[C@@H](C2CC2)O1 ZINC000470916253 931027695 /nfs/dbraw/zinc/02/76/95/931027695.db2.gz IRYFZINOVVHYNP-VBVDBJQASA-N 2 1 384.564 3.685 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2)C[C@@H](C2CC2)O1 ZINC000470916253 931027711 /nfs/dbraw/zinc/02/77/11/931027711.db2.gz IRYFZINOVVHYNP-VBVDBJQASA-N 2 1 384.564 3.685 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2)C[C@@H](C2CC2)O1 ZINC000470916253 931027720 /nfs/dbraw/zinc/02/77/20/931027720.db2.gz IRYFZINOVVHYNP-VBVDBJQASA-N 2 1 384.564 3.685 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)C2CCOCC2)C1 ZINC000782778324 931333358 /nfs/dbraw/zinc/33/33/58/931333358.db2.gz LKWNVFIMFBJMQO-RPWUZVMVSA-N 2 1 380.532 3.511 20 0 GHADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000557357057 931370949 /nfs/dbraw/zinc/37/09/49/931370949.db2.gz FMLXLMVDFHDADW-FQEVSTJZSA-N 2 1 377.960 3.543 20 0 GHADMP CCOCOc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000782960756 931375305 /nfs/dbraw/zinc/37/53/05/931375305.db2.gz SSQVRFSFAIUZNJ-UHFFFAOYSA-N 2 1 387.524 3.666 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000924634942 931457083 /nfs/dbraw/zinc/45/70/83/931457083.db2.gz WLEXCEWLLINBRX-NOTZXAQLSA-N 2 1 383.580 3.809 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000924699265 931479102 /nfs/dbraw/zinc/47/91/02/931479102.db2.gz SUUBVFJMHWGXSD-IBGZPJMESA-N 2 1 375.520 3.891 20 0 GHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000557639478 931588777 /nfs/dbraw/zinc/58/87/77/931588777.db2.gz HXKSGBYQXVYMLZ-ISKFKSNPSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557639478 931588780 /nfs/dbraw/zinc/58/87/80/931588780.db2.gz HXKSGBYQXVYMLZ-ISKFKSNPSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557639478 931588784 /nfs/dbraw/zinc/58/87/84/931588784.db2.gz HXKSGBYQXVYMLZ-ISKFKSNPSA-N 2 1 381.564 3.518 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC4(C3)COC(C)(C)C4)CC2)cs1 ZINC000925033049 931619114 /nfs/dbraw/zinc/61/91/14/931619114.db2.gz YPRWDBBKBOXEHH-UHFFFAOYSA-N 2 1 377.598 3.855 20 0 GHADMP CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ncccc1Cl ZINC000925441517 931784529 /nfs/dbraw/zinc/78/45/29/931784529.db2.gz RBELTLOLQKGLFU-IBGZPJMESA-N 2 1 388.943 3.657 20 0 GHADMP Fc1ccc([C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2cccnc2)cc1 ZINC000925812845 931910876 /nfs/dbraw/zinc/91/08/76/931910876.db2.gz CTKJDZNQLRRHJR-XMMPIXPASA-N 2 1 390.506 3.505 20 0 GHADMP C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925888511 931939123 /nfs/dbraw/zinc/93/91/23/931939123.db2.gz VAEIPQMLVQVEOJ-CTSMQSTOSA-N 2 1 395.591 3.809 20 0 GHADMP CCc1ccc([C@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[NH+](CC)CC)cc1 ZINC000558348475 931955544 /nfs/dbraw/zinc/95/55/44/931955544.db2.gz AYLHIQZVRBKNPQ-QFIPXVFZSA-N 2 1 382.552 3.524 20 0 GHADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2)n(C)n1 ZINC000558409427 931986711 /nfs/dbraw/zinc/98/67/11/931986711.db2.gz PERYIVWUAQBJEY-YLJYHZDGSA-N 2 1 378.524 3.542 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000796682453 932029475 /nfs/dbraw/zinc/02/94/75/932029475.db2.gz JSQAAGHBPSVDJD-XPJNUEMQSA-N 2 1 398.547 3.770 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000796797343 932071180 /nfs/dbraw/zinc/07/11/80/932071180.db2.gz UHQXIBFXIGUDAA-QPXUXIHVSA-N 2 1 380.532 3.761 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000796845906 932087025 /nfs/dbraw/zinc/08/70/25/932087025.db2.gz KZSXHURRJMALCB-UHFFFAOYSA-N 2 1 387.568 3.886 20 0 GHADMP O[C@@H]1[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC12CCOCC2 ZINC000926372868 932151998 /nfs/dbraw/zinc/15/19/98/932151998.db2.gz KICNRLGCXSABPM-JSNMCINTSA-N 2 1 398.591 3.729 20 0 GHADMP CCc1nc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CCOC)ccc2n1C1CC1 ZINC000926372934 932152054 /nfs/dbraw/zinc/15/20/54/932152054.db2.gz GENPMJVGJXGCST-CTXDPNEZSA-N 2 1 382.552 3.665 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000558734274 932200679 /nfs/dbraw/zinc/20/06/79/932200679.db2.gz KGRVHGRFSBYPOX-QFIPXVFZSA-N 2 1 395.547 3.914 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000558734274 932200681 /nfs/dbraw/zinc/20/06/81/932200681.db2.gz KGRVHGRFSBYPOX-QFIPXVFZSA-N 2 1 395.547 3.914 20 0 GHADMP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000926768076 932298589 /nfs/dbraw/zinc/29/85/89/932298589.db2.gz HIGCQDCYTWHZBE-UZVYXBEXSA-N 2 1 380.536 3.835 20 0 GHADMP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000926768076 932298596 /nfs/dbraw/zinc/29/85/96/932298596.db2.gz HIGCQDCYTWHZBE-UZVYXBEXSA-N 2 1 380.536 3.835 20 0 GHADMP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)n1 ZINC000927051401 932391271 /nfs/dbraw/zinc/39/12/71/932391271.db2.gz FCTSAOLGANWOPB-QSUVIHHLSA-N 2 1 380.536 3.911 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048989 932395094 /nfs/dbraw/zinc/39/50/94/932395094.db2.gz AYJCALXZKRZYFS-GCJKJVERSA-N 2 1 389.559 3.932 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184575 932555489 /nfs/dbraw/zinc/55/54/89/932555489.db2.gz YCOXPODXOGTWIC-DLBZAZTESA-N 2 1 377.598 3.815 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184575 932555500 /nfs/dbraw/zinc/55/55/00/932555500.db2.gz YCOXPODXOGTWIC-DLBZAZTESA-N 2 1 377.598 3.815 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311452 932592805 /nfs/dbraw/zinc/59/28/05/932592805.db2.gz LHDOTYCKESNCBH-CYFREDJKSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311452 932592808 /nfs/dbraw/zinc/59/28/08/932592808.db2.gz LHDOTYCKESNCBH-CYFREDJKSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311452 932592814 /nfs/dbraw/zinc/59/28/14/932592814.db2.gz LHDOTYCKESNCBH-CYFREDJKSA-N 2 1 377.532 3.573 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933992 932822060 /nfs/dbraw/zinc/82/20/60/932822060.db2.gz ALZOKYBVBBLMGI-CYFREDJKSA-N 2 1 392.547 3.779 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000798956541 932838788 /nfs/dbraw/zinc/83/87/88/932838788.db2.gz CKZADYWSRHKTEF-UHFFFAOYSA-N 3 1 384.612 3.526 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000799178852 932899382 /nfs/dbraw/zinc/89/93/82/932899382.db2.gz NLDOSCZBCLVARX-OAHLLOKOSA-N 2 1 398.378 3.978 20 0 GHADMP CC[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799179714 932900130 /nfs/dbraw/zinc/90/01/30/932900130.db2.gz RTHVLAIQBNAXIH-IBGZPJMESA-N 2 1 377.960 3.715 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000559890377 932925374 /nfs/dbraw/zinc/92/53/74/932925374.db2.gz FLFIGAYZKFJWGM-XPWALMASSA-N 2 1 398.591 3.853 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)CC2)oc1C ZINC000560025991 933023874 /nfs/dbraw/zinc/02/38/74/933023874.db2.gz QEXKZZBEGOCYGK-PMACEKPBSA-N 2 1 385.556 3.553 20 0 GHADMP NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000560537914 933323356 /nfs/dbraw/zinc/32/33/56/933323356.db2.gz VBPKXSRGCFRDGI-WXFUMESZSA-N 2 1 391.559 3.608 20 0 GHADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC001116362553 933510232 /nfs/dbraw/zinc/51/02/32/933510232.db2.gz UMSDQJGJMBJTCZ-UHFFFAOYSA-N 2 1 394.441 3.735 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)c2)CC1 ZINC001116531739 933614872 /nfs/dbraw/zinc/61/48/72/933614872.db2.gz FPPWPPHBJVQFTJ-VWLOTQADSA-N 2 1 393.575 3.692 20 0 GHADMP COc1cccc(COCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000560907213 933677912 /nfs/dbraw/zinc/67/79/12/933677912.db2.gz BJGLKNFLODMUCJ-UHFFFAOYSA-N 2 1 386.511 3.648 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000561046169 933816460 /nfs/dbraw/zinc/81/64/60/933816460.db2.gz TYNDKOPWELIYBA-VQTJNVASSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000561046169 933816463 /nfs/dbraw/zinc/81/64/63/933816463.db2.gz TYNDKOPWELIYBA-VQTJNVASSA-N 2 1 384.911 3.553 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3cccc(OC)c3)CC2)CC1 ZINC000561103770 933868198 /nfs/dbraw/zinc/86/81/98/933868198.db2.gz OROXMVMUKXPKRB-HSZRJFAPSA-N 2 1 399.579 3.555 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275075 934009072 /nfs/dbraw/zinc/00/90/72/934009072.db2.gz JZJJZNGGJDVVCO-ZCYQVOJMSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275075 934009075 /nfs/dbraw/zinc/00/90/75/934009075.db2.gz JZJJZNGGJDVVCO-ZCYQVOJMSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275075 934009080 /nfs/dbraw/zinc/00/90/80/934009080.db2.gz JZJJZNGGJDVVCO-ZCYQVOJMSA-N 2 1 391.559 3.804 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2cc(C[NH2+][C@@H](C)c3cnn(C)c3C)ccc2F)cnn1C ZINC001117801561 934033287 /nfs/dbraw/zinc/03/32/87/934033287.db2.gz SBZRRLUJKGRKKY-LSDHHAIUSA-N 2 1 398.530 3.611 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]([NH+]4CCCC4)[C@@H]3C)c2c1C ZINC000561434186 934156553 /nfs/dbraw/zinc/15/65/53/934156553.db2.gz CZTNUILGTZXQOY-WMZOPIPTSA-N 2 1 399.608 3.967 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2snnc2C)CC1 ZINC001119695997 934382867 /nfs/dbraw/zinc/38/28/67/934382867.db2.gz SFVFHWALWCTURO-KBPBESRZSA-N 2 1 377.533 3.539 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC2(CCNC2=O)CC1)c1ccccc1 ZINC000931608022 934642272 /nfs/dbraw/zinc/64/22/72/934642272.db2.gz MHULRGDJOWJNAO-QHCPKHFHSA-N 2 1 391.559 3.504 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000562089265 934688407 /nfs/dbraw/zinc/68/84/07/934688407.db2.gz SPLBDICHFBONOX-KRWDZBQOSA-N 2 1 381.524 3.844 20 0 GHADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000562174112 934744740 /nfs/dbraw/zinc/74/47/40/934744740.db2.gz DDRPIPMOFRHIRS-WOJBJXKFSA-N 2 1 386.584 3.826 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000562174112 934744742 /nfs/dbraw/zinc/74/47/42/934744742.db2.gz DDRPIPMOFRHIRS-WOJBJXKFSA-N 2 1 386.584 3.826 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001124390956 935382858 /nfs/dbraw/zinc/38/28/58/935382858.db2.gz LMEZFOZKMWOKJJ-XZOQPEGZSA-N 2 1 379.548 3.708 20 0 GHADMP COC(=O)c1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001137792992 935792405 /nfs/dbraw/zinc/79/24/05/935792405.db2.gz WLVHFXXRYYYOPA-RTWAWAEBSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001137792992 935792415 /nfs/dbraw/zinc/79/24/15/935792415.db2.gz WLVHFXXRYYYOPA-RTWAWAEBSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001137792992 935792419 /nfs/dbraw/zinc/79/24/19/935792419.db2.gz WLVHFXXRYYYOPA-RTWAWAEBSA-N 2 1 378.516 3.817 20 0 GHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544894880 1015169197 /nfs/dbraw/zinc/16/91/97/1015169197.db2.gz YHTVLKWXURKJAB-TUNNFDKTSA-N 2 1 379.548 3.733 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000468427741 1015697299 /nfs/dbraw/zinc/69/72/99/1015697299.db2.gz IABZEUFRXVINGP-GBXCKJPGSA-N 2 1 393.575 3.803 20 0 GHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000545272200 1015723024 /nfs/dbraw/zinc/72/30/24/1015723024.db2.gz YBNUWFRFOSHDJT-INIZCTEOSA-N 2 1 383.517 3.825 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC001220874292 1032164453 /nfs/dbraw/zinc/16/44/53/1032164453.db2.gz PAFSNWDFOFRWBL-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)cc2)CC1 ZINC001220874123 1032164515 /nfs/dbraw/zinc/16/45/15/1032164515.db2.gz MXRCACKSXLOXPG-QHCPKHFHSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(C)(C)C[NH+](C)C ZINC001220880442 1032170424 /nfs/dbraw/zinc/17/04/24/1032170424.db2.gz QZUSMXWAIWGMCA-OALUTQOASA-N 2 1 388.600 3.694 20 0 GHADMP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)Cc1ccc2ccccc2c1 ZINC001220917178 1032187397 /nfs/dbraw/zinc/18/73/97/1032187397.db2.gz PVQGLHJOPFGTBF-ZEQRLZLVSA-N 2 1 393.575 3.871 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC[N@H+]1C ZINC001154754576 1032273252 /nfs/dbraw/zinc/27/32/52/1032273252.db2.gz YORZDIFAEYVVPM-FUHWJXTLSA-N 2 1 383.458 3.970 20 0 GHADMP C[C@]1(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001227509432 1032447005 /nfs/dbraw/zinc/44/70/05/1032447005.db2.gz DIZCFKVXNXSZJM-SHSGKGFPSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001155339814 1032509807 /nfs/dbraw/zinc/50/98/07/1032509807.db2.gz WPONYAJCZORXRF-KRWDZBQOSA-N 2 1 383.499 3.999 20 0 GHADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001155339814 1032509810 /nfs/dbraw/zinc/50/98/10/1032509810.db2.gz WPONYAJCZORXRF-KRWDZBQOSA-N 2 1 383.499 3.999 20 0 GHADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001155341187 1032510508 /nfs/dbraw/zinc/51/05/08/1032510508.db2.gz WDIDSVXJBWGWRB-QGZVFWFLSA-N 2 1 383.499 3.999 20 0 GHADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C2)C1 ZINC001155373250 1032524216 /nfs/dbraw/zinc/52/42/16/1032524216.db2.gz PBHFRYKZJPGTPJ-QFIPXVFZSA-N 2 1 399.542 3.670 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC001221792920 1032537579 /nfs/dbraw/zinc/53/75/79/1032537579.db2.gz ZIMJYXYHJZHSOV-QHAWAJNXSA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001221792920 1032537585 /nfs/dbraw/zinc/53/75/85/1032537585.db2.gz ZIMJYXYHJZHSOV-QHAWAJNXSA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001221792920 1032537591 /nfs/dbraw/zinc/53/75/91/1032537591.db2.gz ZIMJYXYHJZHSOV-QHAWAJNXSA-N 2 1 390.547 3.525 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC001227881911 1032666398 /nfs/dbraw/zinc/66/63/98/1032666398.db2.gz IDVLOWYDOCYQOA-QHCPKHFHSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC001227881911 1032666403 /nfs/dbraw/zinc/66/64/03/1032666403.db2.gz IDVLOWYDOCYQOA-QHCPKHFHSA-N 2 1 398.595 3.654 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCOCC1 ZINC000925837579 1017158058 /nfs/dbraw/zinc/15/80/58/1017158058.db2.gz QYPHFTSGFAVKNA-DNQXCXABSA-N 2 1 393.575 3.751 20 0 GHADMP Cc1cc(Cl)c(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000926077242 1017212145 /nfs/dbraw/zinc/21/21/45/1017212145.db2.gz MPBJPZKZFIMRFR-GASCZTMLSA-N 2 1 397.350 3.734 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310670 1017420161 /nfs/dbraw/zinc/42/01/61/1017420161.db2.gz BXJXMIIHVNLISQ-VWNXMTODSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310670 1017420185 /nfs/dbraw/zinc/42/01/85/1017420185.db2.gz BXJXMIIHVNLISQ-VWNXMTODSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310670 1017420190 /nfs/dbraw/zinc/42/01/90/1017420190.db2.gz BXJXMIIHVNLISQ-VWNXMTODSA-N 2 1 380.532 3.511 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+](C)C ZINC001227976731 1032723235 /nfs/dbraw/zinc/72/32/35/1032723235.db2.gz UWJNJAMNYHNDJY-DWLFOUALSA-N 2 1 386.584 3.692 20 0 GHADMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@@]2(C)C1 ZINC000931309249 1017956472 /nfs/dbraw/zinc/95/64/72/1017956472.db2.gz XMEWQFZWBWUDOG-DNQXCXABSA-N 2 1 377.532 3.956 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000562489404 1018211531 /nfs/dbraw/zinc/21/15/31/1018211531.db2.gz FWDACJQHABREQX-SFHVURJKSA-N 2 1 398.514 3.835 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000562751904 1018603307 /nfs/dbraw/zinc/60/33/07/1018603307.db2.gz VPLXZWIHWSGKOJ-RBUKOAKNSA-N 2 1 375.513 3.668 20 0 GHADMP CC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000564670095 1019100046 /nfs/dbraw/zinc/10/00/46/1019100046.db2.gz BBGVBIMRXCJLDW-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000567127181 1019270415 /nfs/dbraw/zinc/27/04/15/1019270415.db2.gz DFQIYOPMOMAJKU-SFHVURJKSA-N 2 1 375.582 3.747 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168851 1032820154 /nfs/dbraw/zinc/82/01/54/1032820154.db2.gz OVARXBZDJJMCJO-OALUTQOASA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168851 1032820172 /nfs/dbraw/zinc/82/01/72/1032820172.db2.gz OVARXBZDJJMCJO-OALUTQOASA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168851 1032820191 /nfs/dbraw/zinc/82/01/91/1032820191.db2.gz OVARXBZDJJMCJO-OALUTQOASA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000567382319 1019287621 /nfs/dbraw/zinc/28/76/21/1019287621.db2.gz BZNHQZNAIYAZOX-HFTRVMKXSA-N 2 1 385.474 3.593 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCc3nnc4n3CCCCC4)CC23CC3)cc1 ZINC000568627223 1019429414 /nfs/dbraw/zinc/42/94/14/1019429414.db2.gz UAORZIMGDUKMSZ-OAQYLSRUSA-N 2 1 393.579 3.724 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCc3nnc4n3CCCCC4)CC23CC3)cc1 ZINC000568627223 1019429425 /nfs/dbraw/zinc/42/94/25/1019429425.db2.gz UAORZIMGDUKMSZ-OAQYLSRUSA-N 2 1 393.579 3.724 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000570411514 1019599111 /nfs/dbraw/zinc/59/91/11/1019599111.db2.gz XZSJENQEFDXIFT-MRXNPFEDSA-N 2 1 390.325 3.688 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(NCc3cccc(C[NH+](C)C)c3)n2)cc1 ZINC001156051841 1032856617 /nfs/dbraw/zinc/85/66/17/1032856617.db2.gz IYLLFRHPTPZYHI-UHFFFAOYSA-N 2 1 391.519 3.795 20 0 GHADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594041 1020040924 /nfs/dbraw/zinc/04/09/24/1020040924.db2.gz BOQONRHYZOESEP-CTNGQTDRSA-N 2 1 394.563 3.871 20 0 GHADMP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000577449630 1020190056 /nfs/dbraw/zinc/19/00/56/1020190056.db2.gz NRDQZBSXZCCTTH-IRLDBZIGSA-N 2 1 399.966 3.628 20 0 GHADMP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000577449630 1020190063 /nfs/dbraw/zinc/19/00/63/1020190063.db2.gz NRDQZBSXZCCTTH-IRLDBZIGSA-N 2 1 399.966 3.628 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)cc1)C1CC1 ZINC000579063582 1020385606 /nfs/dbraw/zinc/38/56/06/1020385606.db2.gz MCFISZNTXCIIID-OALUTQOASA-N 2 1 379.508 3.576 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579275436 1020400239 /nfs/dbraw/zinc/40/02/39/1020400239.db2.gz XINXAMQXIATQDR-ZODMCCGTSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000579275436 1020400246 /nfs/dbraw/zinc/40/02/46/1020400246.db2.gz XINXAMQXIATQDR-ZODMCCGTSA-N 2 1 393.575 3.703 20 0 GHADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccc(OC)c1OC ZINC000631586288 1020892994 /nfs/dbraw/zinc/89/29/94/1020892994.db2.gz YALLWUYDGFSFOV-LJQANCHMSA-N 2 1 384.524 3.820 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccn3C3CC[NH2+]CC3)cc2)C1 ZINC000645500986 1021123887 /nfs/dbraw/zinc/12/38/87/1021123887.db2.gz QQZVDPQRBZWGFW-LJQANCHMSA-N 2 1 394.563 3.575 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000834588652 1021287289 /nfs/dbraw/zinc/28/72/89/1021287289.db2.gz DLKDLMCOIOKEKM-ZGXWSNOMSA-N 2 1 397.604 3.501 20 0 GHADMP C[N@@H+](Cc1ccc(N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)nc1)C1CC1 ZINC001156318109 1032981642 /nfs/dbraw/zinc/98/16/42/1032981642.db2.gz QJJBDEWZKKHDMK-YMPZKCBVSA-N 2 1 376.548 3.998 20 0 GHADMP C[NH+](Cc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1)C1CC1 ZINC001156318109 1032981652 /nfs/dbraw/zinc/98/16/52/1032981652.db2.gz QJJBDEWZKKHDMK-YMPZKCBVSA-N 2 1 376.548 3.998 20 0 GHADMP C[NH+](Cc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1)C1CC1 ZINC001156318109 1032981655 /nfs/dbraw/zinc/98/16/55/1032981655.db2.gz QJJBDEWZKKHDMK-YMPZKCBVSA-N 2 1 376.548 3.998 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001140387823 1021542080 /nfs/dbraw/zinc/54/20/80/1021542080.db2.gz UXMCNTBNQAXRTR-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001140387823 1021542097 /nfs/dbraw/zinc/54/20/97/1021542097.db2.gz UXMCNTBNQAXRTR-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001140387823 1021542106 /nfs/dbraw/zinc/54/21/06/1021542106.db2.gz UXMCNTBNQAXRTR-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001140387823 1021542121 /nfs/dbraw/zinc/54/21/21/1021542121.db2.gz UXMCNTBNQAXRTR-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140420278 1021643394 /nfs/dbraw/zinc/64/33/94/1021643394.db2.gz XMBAPZFYPGYFDO-UHFFFAOYSA-N 2 1 390.572 3.799 20 0 GHADMP COc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c(OCc2ccccc2)cc1OC ZINC001204628262 1033000835 /nfs/dbraw/zinc/00/08/35/1033000835.db2.gz OJMWCPAYUQADJR-UHFFFAOYSA-N 2 1 396.531 3.810 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cccc(Cl)c45)C[C@@H]3C2)cn1 ZINC001140435642 1021699901 /nfs/dbraw/zinc/69/99/01/1021699901.db2.gz XXUZSJVHJZJYNI-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cccc(Cl)c45)C[C@@H]3C2)cn1 ZINC001140435642 1021699916 /nfs/dbraw/zinc/69/99/16/1021699916.db2.gz XXUZSJVHJZJYNI-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5cccc(Cl)c45)C[C@@H]3C2)cn1 ZINC001140435642 1021699925 /nfs/dbraw/zinc/69/99/25/1021699925.db2.gz XXUZSJVHJZJYNI-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5cccc(Cl)c45)C[C@@H]3C2)cn1 ZINC001140435642 1021699940 /nfs/dbraw/zinc/69/99/40/1021699940.db2.gz XXUZSJVHJZJYNI-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)C1CC[NH+](C)CC1 ZINC000678775529 1021925411 /nfs/dbraw/zinc/92/54/11/1021925411.db2.gz UWEAOQNQPOFNAM-QHAWAJNXSA-N 3 1 387.612 3.516 20 0 GHADMP C[C@@H](CC1CCOCC1)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000678775454 1021925436 /nfs/dbraw/zinc/92/54/36/1021925436.db2.gz SOGKJOQHDBSKLS-HBMCJLEFSA-N 2 1 388.596 3.991 20 0 GHADMP Brc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@H]2CCCO2)cc1 ZINC000679331699 1021988154 /nfs/dbraw/zinc/98/81/54/1021988154.db2.gz MVRZKJSOQVUXOB-KYNGSXCRSA-N 2 1 379.342 3.743 20 0 GHADMP Brc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@H]2CCCO2)cc1 ZINC000679331699 1021988157 /nfs/dbraw/zinc/98/81/57/1021988157.db2.gz MVRZKJSOQVUXOB-KYNGSXCRSA-N 2 1 379.342 3.743 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccc(OC(F)F)c(O)c4)C[C@H]3C2)cc1 ZINC001140626150 1022104556 /nfs/dbraw/zinc/10/45/56/1022104556.db2.gz QZCDFQFXGCMYNI-KDURUIRLSA-N 2 1 388.458 3.866 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1Cl)CC2 ZINC001137423305 1022230166 /nfs/dbraw/zinc/23/01/66/1022230166.db2.gz ATJPSAPMDBBYNC-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140775043 1022495306 /nfs/dbraw/zinc/49/53/06/1022495306.db2.gz FSPQKRGNCPZGEP-PMACEKPBSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(O)cc(OC)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140775043 1022495313 /nfs/dbraw/zinc/49/53/13/1022495313.db2.gz FSPQKRGNCPZGEP-PMACEKPBSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(O)cc(OC)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140775043 1022495320 /nfs/dbraw/zinc/49/53/20/1022495320.db2.gz FSPQKRGNCPZGEP-PMACEKPBSA-N 2 1 396.531 3.753 20 0 GHADMP CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803268 1022573949 /nfs/dbraw/zinc/57/39/49/1022573949.db2.gz NUVHDGJECMCJJL-HXUWFJFHSA-N 2 1 388.515 3.934 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccc(CC[NH+]4CCCC4)cc3)cc2)CC1 ZINC001204747405 1033062512 /nfs/dbraw/zinc/06/25/12/1033062512.db2.gz VDFAFCMCOLRMKQ-UHFFFAOYSA-N 2 1 378.564 3.816 20 0 GHADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)CCO1 ZINC001204756898 1033071071 /nfs/dbraw/zinc/07/10/71/1033071071.db2.gz SQDIWGXWIBNTFY-GOSISDBHSA-N 2 1 380.410 3.802 20 0 GHADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140976703 1023063221 /nfs/dbraw/zinc/06/32/21/1023063221.db2.gz WFTVGXRYEFFGMW-JOCHJYFZSA-N 2 1 393.531 3.562 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001204922348 1033167272 /nfs/dbraw/zinc/16/72/72/1033167272.db2.gz JCBOGQUEOQVHPO-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP Cc1c2ccccc2[nH]c1CN1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001138398928 1024778066 /nfs/dbraw/zinc/77/80/66/1024778066.db2.gz RPEBEENBWCEZEW-UHFFFAOYSA-N 2 1 376.504 3.743 20 0 GHADMP Cc1c2ccccc2sc1C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001138461226 1024889139 /nfs/dbraw/zinc/88/91/39/1024889139.db2.gz CNTXVVPJEZAJMV-UHFFFAOYSA-N 2 1 395.572 3.534 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001138503777 1024938789 /nfs/dbraw/zinc/93/87/89/1024938789.db2.gz ASJZTSXFXQJGPF-UHFFFAOYSA-N 2 1 375.520 3.574 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CCCN3c3ncccn3)CC2)cc1 ZINC001138543502 1024985672 /nfs/dbraw/zinc/98/56/72/1024985672.db2.gz VQTCRXFUUVJKNZ-UHFFFAOYSA-N 2 1 388.519 3.606 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)cc1 ZINC001138544532 1024988200 /nfs/dbraw/zinc/98/82/00/1024988200.db2.gz LBKMKNFBAZZKDK-UYAOXDASSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)cc1 ZINC001138544532 1024988203 /nfs/dbraw/zinc/98/82/03/1024988203.db2.gz LBKMKNFBAZZKDK-UYAOXDASSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC2)OC(=O)Nc2ncccc23)cc1 ZINC001138547948 1024995030 /nfs/dbraw/zinc/99/50/30/1024995030.db2.gz XMAGVYAOORZPPK-UHFFFAOYSA-N 2 1 389.459 3.629 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001138549084 1024996151 /nfs/dbraw/zinc/99/61/51/1024996151.db2.gz QMFZNAQBBCSMMK-WOJBJXKFSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001138549084 1024996156 /nfs/dbraw/zinc/99/61/56/1024996156.db2.gz QMFZNAQBBCSMMK-WOJBJXKFSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000831993394 1025099169 /nfs/dbraw/zinc/09/91/69/1025099169.db2.gz RXZLKMDTUDUWMG-GOSISDBHSA-N 2 1 376.545 3.549 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cnc(C(F)(F)F)nc1)CC2 ZINC001141455523 1025106586 /nfs/dbraw/zinc/10/65/86/1025106586.db2.gz BBZAIFLINFKENP-QGZVFWFLSA-N 2 1 394.441 3.965 20 0 GHADMP CCSc1ncc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001138655343 1025171235 /nfs/dbraw/zinc/17/12/35/1025171235.db2.gz ITNWUGMWEOEQBD-UHFFFAOYSA-N 2 1 397.592 3.860 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(OCc2cccc(F)c2)cc1 ZINC001138661081 1025181633 /nfs/dbraw/zinc/18/16/33/1025181633.db2.gz IEIGVXAXLSHSIE-BJKOFHAPSA-N 2 1 397.538 3.615 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(C)c1C ZINC001138724872 1025253115 /nfs/dbraw/zinc/25/31/15/1025253115.db2.gz RYUBUJHSMQQIJD-UHFFFAOYSA-N 2 1 396.579 3.861 20 0 GHADMP Cc1ccc2c(n1)N(CC1CC1)CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771558 1025340452 /nfs/dbraw/zinc/34/04/52/1025340452.db2.gz ULFPLOAIRULJIB-UHFFFAOYSA-N 2 1 394.563 3.563 20 0 GHADMP Cc1ccc2c(n1)N(CC1CC1)CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC001138771558 1025340466 /nfs/dbraw/zinc/34/04/66/1025340466.db2.gz ULFPLOAIRULJIB-UHFFFAOYSA-N 2 1 394.563 3.563 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC001138773088 1025342762 /nfs/dbraw/zinc/34/27/62/1025342762.db2.gz PYORQVHJPDJRIR-UHFFFAOYSA-N 2 1 387.955 3.598 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CCC(C)([NH+]5CCCCC5)CC4)cc3c2C1 ZINC000832221450 1025344851 /nfs/dbraw/zinc/34/48/51/1025344851.db2.gz JFCJSWYFKVWQFJ-UHFFFAOYSA-N 2 1 394.563 3.636 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CCC(C)([NH+]5CCCCC5)CC4)cc3c2C1 ZINC000832221450 1025344883 /nfs/dbraw/zinc/34/48/83/1025344883.db2.gz JFCJSWYFKVWQFJ-UHFFFAOYSA-N 2 1 394.563 3.636 20 0 GHADMP c1c(C2CC[NH2+]CC2)nn2cc(C[N@H+]3CCCC[C@H]3c3ccccc3)cnc12 ZINC001205171329 1033283892 /nfs/dbraw/zinc/28/38/92/1033283892.db2.gz NBHGAVWRNNLKQM-QFIPXVFZSA-N 2 1 375.520 3.924 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)ccc1F ZINC001205172441 1033283953 /nfs/dbraw/zinc/28/39/53/1033283953.db2.gz QUAKCFXYKVHAPP-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC001461035281 1069350478 /nfs/dbraw/zinc/35/04/78/1069350478.db2.gz NDIZVGINNFXDAB-JWQCQUIFSA-N 2 1 377.576 3.902 20 0 GHADMP C[NH+](C)C[C@@H](Nc1cccc(N2CCC([NH3+])CC2)[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC001162817543 1025928654 /nfs/dbraw/zinc/92/86/54/1025928654.db2.gz XNJNMAHIKPFZKY-ZNKOEICNSA-N 3 1 397.611 3.568 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC001141630384 1025958797 /nfs/dbraw/zinc/95/87/97/1025958797.db2.gz PPASTLZSNSTZGO-XXBNENTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC001141630384 1025958800 /nfs/dbraw/zinc/95/88/00/1025958800.db2.gz PPASTLZSNSTZGO-XXBNENTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC001141630384 1025958802 /nfs/dbraw/zinc/95/88/02/1025958802.db2.gz PPASTLZSNSTZGO-XXBNENTESA-N 2 1 383.580 3.942 20 0 GHADMP COc1ccc2c(c1)c(C[N@@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)cn2C ZINC001139147825 1025961830 /nfs/dbraw/zinc/96/18/30/1025961830.db2.gz MTUNMCIWXBRGQC-UXHICEINSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C1)cn2C ZINC001139147825 1025961832 /nfs/dbraw/zinc/96/18/32/1025961832.db2.gz MTUNMCIWXBRGQC-UXHICEINSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C1)cn2C ZINC001139147825 1025961836 /nfs/dbraw/zinc/96/18/36/1025961836.db2.gz MTUNMCIWXBRGQC-UXHICEINSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C1)cn2C ZINC001139147825 1025961841 /nfs/dbraw/zinc/96/18/41/1025961841.db2.gz MTUNMCIWXBRGQC-UXHICEINSA-N 2 1 390.531 3.536 20 0 GHADMP c1nc2cc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc2o1 ZINC001162934101 1025972427 /nfs/dbraw/zinc/97/24/27/1025972427.db2.gz KPWZPALDRMPHMX-LJQANCHMSA-N 2 1 376.504 3.742 20 0 GHADMP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001163278004 1026121032 /nfs/dbraw/zinc/12/10/32/1026121032.db2.gz GAJBGJXUJGQUPP-HTAPYJJXSA-N 2 1 383.540 3.734 20 0 GHADMP Cc1c(C)n(-c2nc(Cl)nc3c2C[N@H+](C2CC2)CC3)c2ccc(C[NH3+])cc12 ZINC001163756075 1026304520 /nfs/dbraw/zinc/30/45/20/1026304520.db2.gz RYYJJMBILZWTLP-UHFFFAOYSA-N 2 1 381.911 3.670 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@H](C)C[NH+](C)C)c2c1C ZINC001163778794 1026314309 /nfs/dbraw/zinc/31/43/09/1026314309.db2.gz NBXWHNMUBKQABU-CQSZACIVSA-N 2 1 375.586 3.902 20 0 GHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139490918 1026350340 /nfs/dbraw/zinc/35/03/40/1026350340.db2.gz GPFSCYBFOHDQRF-UHFFFAOYSA-N 2 1 389.547 3.670 20 0 GHADMP C[N@H+](Cc1cn(Cc2ccccc2)nn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139490918 1026350353 /nfs/dbraw/zinc/35/03/53/1026350353.db2.gz GPFSCYBFOHDQRF-UHFFFAOYSA-N 2 1 389.547 3.670 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001139515736 1026373955 /nfs/dbraw/zinc/37/39/55/1026373955.db2.gz WSZQSORJWHVIKS-NRFANRHFSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001139515736 1026373964 /nfs/dbraw/zinc/37/39/64/1026373964.db2.gz WSZQSORJWHVIKS-NRFANRHFSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@@H]1CC[C@@H](C[NH3+])N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164074539 1026402164 /nfs/dbraw/zinc/40/21/64/1026402164.db2.gz UHHAODFCGGJNDU-CVEARBPZSA-N 2 1 399.608 3.730 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C)CC[C@@H]3C[NH3+])c2c1C ZINC001164073095 1026402498 /nfs/dbraw/zinc/40/24/98/1026402498.db2.gz HNHYHJFBVREHSN-WMLDXEAASA-N 2 1 387.597 3.858 20 0 GHADMP Cc1cc(N2CCN(c3nc(N4CCCCC4)cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC001164199406 1026448198 /nfs/dbraw/zinc/44/81/98/1026448198.db2.gz QEVBCORYVUVCHO-UHFFFAOYSA-N 2 1 388.519 3.650 20 0 GHADMP CCOc1ccncc1CN1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001139629202 1026495715 /nfs/dbraw/zinc/49/57/15/1026495715.db2.gz BXGPUZQMZSUKPH-NYVOZVTQSA-N 2 1 380.536 3.608 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)c21 ZINC001139721874 1026564643 /nfs/dbraw/zinc/56/46/43/1026564643.db2.gz MFVBKLVTLYYDMZ-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c21 ZINC001139721874 1026564650 /nfs/dbraw/zinc/56/46/50/1026564650.db2.gz MFVBKLVTLYYDMZ-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c21 ZINC001139721874 1026564653 /nfs/dbraw/zinc/56/46/53/1026564653.db2.gz MFVBKLVTLYYDMZ-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735319 1026576811 /nfs/dbraw/zinc/57/68/11/1026576811.db2.gz XEWQQSSBNDYNMN-MISYRCLQSA-N 2 1 399.560 3.647 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH2+]C[C@]3(c3ccccc3)C2)nc1 ZINC001165170355 1026646278 /nfs/dbraw/zinc/64/62/78/1026646278.db2.gz WGDZBFHZMXTZNG-WMTXJRDZSA-N 2 1 376.548 3.606 20 0 GHADMP C[N@@H+]1CCC[C@@H](CCNc2[nH+]cnc3c2ccn3COCC[Si](C)(C)C)C1 ZINC001165252617 1026680265 /nfs/dbraw/zinc/68/02/65/1026680265.db2.gz IOVZIBTWDYDJDY-KRWDZBQOSA-N 2 1 389.620 3.887 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNc2[nH+]cnc3c2ccn3COCC[Si](C)(C)C)C1 ZINC001165252617 1026680271 /nfs/dbraw/zinc/68/02/71/1026680271.db2.gz IOVZIBTWDYDJDY-KRWDZBQOSA-N 2 1 389.620 3.887 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCCCC23CC[NH2+]CC3)c1 ZINC001165338882 1026707580 /nfs/dbraw/zinc/70/75/80/1026707580.db2.gz JHTHALVWDXDTKX-UHFFFAOYSA-N 2 1 379.483 3.731 20 0 GHADMP Cc1ccccc1-c1cccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC001461146066 1069412339 /nfs/dbraw/zinc/41/23/39/1069412339.db2.gz NFOPPZSNKHDAHY-UHFFFAOYSA-N 2 1 379.548 3.694 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1C ZINC001140157973 1026931226 /nfs/dbraw/zinc/93/12/26/1026931226.db2.gz PVHZSSBPBDKBJV-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1C ZINC001140157973 1026931227 /nfs/dbraw/zinc/93/12/27/1026931227.db2.gz PVHZSSBPBDKBJV-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cn2)c1 ZINC001140197133 1026970257 /nfs/dbraw/zinc/97/02/57/1026970257.db2.gz JOLAFKSDTUSDOA-LEWJYISDSA-N 2 1 380.536 3.991 20 0 GHADMP COc1cccc(-c2ncc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cn2)c1 ZINC001140197133 1026970261 /nfs/dbraw/zinc/97/02/61/1026970261.db2.gz JOLAFKSDTUSDOA-LEWJYISDSA-N 2 1 380.536 3.991 20 0 GHADMP COc1cccc(-c2ncc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cn2)c1 ZINC001140197133 1026970265 /nfs/dbraw/zinc/97/02/65/1026970265.db2.gz JOLAFKSDTUSDOA-LEWJYISDSA-N 2 1 380.536 3.991 20 0 GHADMP COc1cccc(-c2ncc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cn2)c1 ZINC001140197133 1026970266 /nfs/dbraw/zinc/97/02/66/1026970266.db2.gz JOLAFKSDTUSDOA-LEWJYISDSA-N 2 1 380.536 3.991 20 0 GHADMP CC1(C)C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000840105432 1027198280 /nfs/dbraw/zinc/19/82/80/1027198280.db2.gz ALILGUMKTKJAHX-FSSWDIPSSA-N 2 1 381.564 3.577 20 0 GHADMP COc1ccccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001203432701 1027336188 /nfs/dbraw/zinc/33/61/88/1027336188.db2.gz SYKYHWZYCBVKQH-QFIPXVFZSA-N 2 1 380.532 3.951 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840242145 1027372340 /nfs/dbraw/zinc/37/23/40/1027372340.db2.gz WXMGEJSLRBAOJU-JOCHJYFZSA-N 2 1 388.552 3.509 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001461254576 1069463906 /nfs/dbraw/zinc/46/39/06/1069463906.db2.gz HQWIOEDHHTUJHK-QZTJIDSGSA-N 2 1 391.357 3.906 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001203818846 1027630863 /nfs/dbraw/zinc/63/08/63/1027630863.db2.gz LLNSGRNFXPAGOW-JOCHJYFZSA-N 2 1 380.532 3.951 20 0 GHADMP c1ccc2cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001204001532 1027799768 /nfs/dbraw/zinc/79/97/68/1027799768.db2.gz YENFMOYSDYEBPT-JWQCQUIFSA-N 2 1 387.527 3.958 20 0 GHADMP c1ccc2cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2c1 ZINC001204001532 1027799787 /nfs/dbraw/zinc/79/97/87/1027799787.db2.gz YENFMOYSDYEBPT-JWQCQUIFSA-N 2 1 387.527 3.958 20 0 GHADMP CCOc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)ccc1O ZINC001204127106 1027899471 /nfs/dbraw/zinc/89/94/71/1027899471.db2.gz FKHBHEYMMGJKSX-UHFFFAOYSA-N 2 1 377.488 3.970 20 0 GHADMP C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840865732 1027902271 /nfs/dbraw/zinc/90/22/71/1027902271.db2.gz VFMSEARLGKMRTR-VLCRHTCISA-N 2 1 381.520 3.607 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1OC(=O)CC ZINC000840911751 1027946110 /nfs/dbraw/zinc/94/61/10/1027946110.db2.gz OUZHJAQXKOCOHH-UHFFFAOYSA-N 2 1 376.541 3.953 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@@H]21 ZINC001142881136 1029630921 /nfs/dbraw/zinc/63/09/21/1029630921.db2.gz OPQFDXLZTCQNPE-BULFRSBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@@H]21 ZINC001142881136 1029630927 /nfs/dbraw/zinc/63/09/27/1029630927.db2.gz OPQFDXLZTCQNPE-BULFRSBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc4[nH]ccc43)C[C@@H]21 ZINC001142881136 1029630932 /nfs/dbraw/zinc/63/09/32/1029630932.db2.gz OPQFDXLZTCQNPE-BULFRSBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnc4[nH]ccc43)C[C@@H]21 ZINC001142881136 1029630936 /nfs/dbraw/zinc/63/09/36/1029630936.db2.gz OPQFDXLZTCQNPE-BULFRSBZSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5n[nH]cc54)CC3)C2)cc1 ZINC001143091471 1029839028 /nfs/dbraw/zinc/83/90/28/1029839028.db2.gz LQXSGEZVVHWJBW-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C(/C)c1ccccc1Cl ZINC001143140440 1029865791 /nfs/dbraw/zinc/86/57/91/1029865791.db2.gz QFPFPUUYLZSBID-SOBQPUOHSA-N 2 1 377.960 3.618 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC001461585497 1069623941 /nfs/dbraw/zinc/62/39/41/1069623941.db2.gz NANOBZGGVFAPOT-IFMALSPDSA-N 2 1 394.519 3.605 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC001461585497 1069623948 /nfs/dbraw/zinc/62/39/48/1069623948.db2.gz NANOBZGGVFAPOT-IFMALSPDSA-N 2 1 394.519 3.605 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001143237091 1029934732 /nfs/dbraw/zinc/93/47/32/1029934732.db2.gz DPKSGVFFTAHOTB-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001143237091 1029934738 /nfs/dbraw/zinc/93/47/38/1029934738.db2.gz DPKSGVFFTAHOTB-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001143237091 1029934745 /nfs/dbraw/zinc/93/47/45/1029934745.db2.gz DPKSGVFFTAHOTB-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2c1 ZINC001143237091 1029934753 /nfs/dbraw/zinc/93/47/53/1029934753.db2.gz DPKSGVFFTAHOTB-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843385714 1029953810 /nfs/dbraw/zinc/95/38/10/1029953810.db2.gz FBLKXBLNWRIYDH-LSDHHAIUSA-N 2 1 383.508 3.651 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222154826 1029981458 /nfs/dbraw/zinc/98/14/58/1029981458.db2.gz RKLWBCAWGSGGIE-XMMPIXPASA-N 2 1 394.515 3.628 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222154826 1029981468 /nfs/dbraw/zinc/98/14/68/1029981468.db2.gz RKLWBCAWGSGGIE-XMMPIXPASA-N 2 1 394.515 3.628 20 0 GHADMP Brc1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)c2ccccc12 ZINC001222181623 1029990413 /nfs/dbraw/zinc/99/04/13/1029990413.db2.gz QSGVIEAJVBTOAA-UHFFFAOYSA-N 2 1 375.310 3.557 20 0 GHADMP Brc1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c2ccccc12 ZINC001222181623 1029990419 /nfs/dbraw/zinc/99/04/19/1029990419.db2.gz QSGVIEAJVBTOAA-UHFFFAOYSA-N 2 1 375.310 3.557 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222460896 1030147259 /nfs/dbraw/zinc/14/72/59/1030147259.db2.gz HVPGEESXFMPTNS-UHFFFAOYSA-N 2 1 382.346 3.597 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c2)cc1 ZINC001222501966 1030171347 /nfs/dbraw/zinc/17/13/47/1030171347.db2.gz APRXOBFKJIJENX-SFTDATJTSA-N 2 1 389.465 3.898 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c2)cc1 ZINC001222501966 1030171354 /nfs/dbraw/zinc/17/13/54/1030171354.db2.gz APRXOBFKJIJENX-SFTDATJTSA-N 2 1 389.465 3.898 20 0 GHADMP c1cc(-c2noc(-c3ccc([C@H]4CCC[NH2+]4)cc3)n2)ccc1C[NH+]1CCOCC1 ZINC001217117443 1030177364 /nfs/dbraw/zinc/17/73/64/1030177364.db2.gz YUDROVAFEXZCCX-OAQYLSRUSA-N 2 1 390.487 3.660 20 0 GHADMP CC1(C)C[C@@H](C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CCO1 ZINC001222576210 1030207358 /nfs/dbraw/zinc/20/73/58/1030207358.db2.gz RWYPQIQYQHSSBC-FCHUYYIVSA-N 2 1 386.580 3.995 20 0 GHADMP c1cn2c(cccc2C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n1 ZINC001222590113 1030216112 /nfs/dbraw/zinc/21/61/12/1030216112.db2.gz FIHYGHNVAAOAND-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1cn2c(cccc2C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n1 ZINC001222590113 1030216127 /nfs/dbraw/zinc/21/61/27/1030216127.db2.gz FIHYGHNVAAOAND-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP Brc1cccc(-c2ccncc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222623534 1030245586 /nfs/dbraw/zinc/24/55/86/1030245586.db2.gz LTMNXGSQXKXZRL-CALCHBBNSA-N 2 1 386.337 3.943 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cc1 ZINC001222634826 1030251526 /nfs/dbraw/zinc/25/15/26/1030251526.db2.gz ILNBRASJVYJWBM-ZRZAMGCNSA-N 2 1 378.516 3.962 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001222668696 1030271978 /nfs/dbraw/zinc/27/19/78/1030271978.db2.gz ZPROQWHLNPRRDC-XXBNENTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001222668696 1030271995 /nfs/dbraw/zinc/27/19/95/1030271995.db2.gz ZPROQWHLNPRRDC-XXBNENTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001222668696 1030272012 /nfs/dbraw/zinc/27/20/12/1030272012.db2.gz ZPROQWHLNPRRDC-XXBNENTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H](OCc1ccccc1)[C@H](N)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217700628 1030617102 /nfs/dbraw/zinc/61/71/02/1030617102.db2.gz GEHACBZPRHVFKW-QMMLZNLJSA-N 2 1 392.503 3.664 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nnc(-c2cc(F)cc(Br)c2)o1 ZINC001217751703 1030643127 /nfs/dbraw/zinc/64/31/27/1030643127.db2.gz FEYQQGQZRVFKHK-AWEZNQCLSA-N 2 1 385.281 3.806 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)c2)CC[N@H+]1C ZINC001218082745 1030761894 /nfs/dbraw/zinc/76/18/94/1030761894.db2.gz RVTUZHJSMLJZHE-WLAPLSBFSA-N 2 1 398.591 3.842 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@H](CC)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001223832230 1030773637 /nfs/dbraw/zinc/77/36/37/1030773637.db2.gz QEEZTMMTHSZWPM-YADHBBJMSA-N 2 1 386.584 3.557 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC001218244359 1030848439 /nfs/dbraw/zinc/84/84/39/1030848439.db2.gz OOEZSQQEORMFCR-XMMPIXPASA-N 2 1 393.575 3.771 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2Cc2sc(Cl)c3ccccc32)C1=O ZINC001276938436 1030850171 /nfs/dbraw/zinc/85/01/71/1030850171.db2.gz SYKMPHPTOLPFIG-FQEVSTJZSA-N 2 1 391.968 3.683 20 0 GHADMP C[C@H](O[C@@H](CC[NH+](C)C)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224132646 1030898439 /nfs/dbraw/zinc/89/84/39/1030898439.db2.gz FFZQLWCBDUFUAG-NKKJXINNSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@H](O[C@@H](CC[NH+](C)C)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224132646 1030898466 /nfs/dbraw/zinc/89/84/66/1030898466.db2.gz FFZQLWCBDUFUAG-NKKJXINNSA-N 2 1 382.548 3.986 20 0 GHADMP C[NH+](C)CC[C@H](OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC001224135606 1030900214 /nfs/dbraw/zinc/90/02/14/1030900214.db2.gz WOCNHBFKIYRLHH-RPWUZVMVSA-N 2 1 382.548 3.987 20 0 GHADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2C[NH2+]CCC2(F)F)cc13 ZINC001218450968 1030941180 /nfs/dbraw/zinc/94/11/80/1030941180.db2.gz AWGLZSWLBAKMGW-CWJKEVGVSA-N 2 1 376.491 3.751 20 0 GHADMP Cc1ccc(NCCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)[nH+]c1 ZINC001224306845 1030963312 /nfs/dbraw/zinc/96/33/12/1030963312.db2.gz NLNAHAGASPPAPU-OAQYLSRUSA-N 2 1 395.551 3.574 20 0 GHADMP C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151816758 1031012532 /nfs/dbraw/zinc/01/25/32/1031012532.db2.gz XHKMGFARUGCBFZ-HXUWFJFHSA-N 2 1 377.532 3.664 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151816758 1031012549 /nfs/dbraw/zinc/01/25/49/1031012549.db2.gz XHKMGFARUGCBFZ-HXUWFJFHSA-N 2 1 377.532 3.664 20 0 GHADMP C[NH+]1CCC[C@H](CCNC(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)C1 ZINC001151816758 1031012564 /nfs/dbraw/zinc/01/25/64/1031012564.db2.gz XHKMGFARUGCBFZ-HXUWFJFHSA-N 2 1 377.532 3.664 20 0 GHADMP C[NH+]1CCC[C@H](CCNC(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)C1 ZINC001151816758 1031012581 /nfs/dbraw/zinc/01/25/81/1031012581.db2.gz XHKMGFARUGCBFZ-HXUWFJFHSA-N 2 1 377.532 3.664 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001224676534 1031075786 /nfs/dbraw/zinc/07/57/86/1031075786.db2.gz RLNIKOKSGHZCQK-RTBURBONSA-N 2 1 380.621 3.649 20 0 GHADMP CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc([C@@H]4CCC[NH2+]4)c3)cc2)CC1 ZINC001218845426 1031110345 /nfs/dbraw/zinc/11/03/45/1031110345.db2.gz ADJKCBZSECAUNX-QHCPKHFHSA-N 2 1 392.547 3.501 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CO[C@H]3COCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224827467 1031138649 /nfs/dbraw/zinc/13/86/49/1031138649.db2.gz VIGXTNAMABNZDM-LOSJGSFVSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](CO[C@H]3COCC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001224827467 1031138659 /nfs/dbraw/zinc/13/86/59/1031138659.db2.gz VIGXTNAMABNZDM-LOSJGSFVSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CO[C@H]3COCC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001224827467 1031138672 /nfs/dbraw/zinc/13/86/72/1031138672.db2.gz VIGXTNAMABNZDM-LOSJGSFVSA-N 2 1 394.559 3.816 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3[C@H]([NH3+])[C@H]4CC[C@@H]3C4)cccc2[C@H](c2ccccc2)C1 ZINC001219047041 1031229932 /nfs/dbraw/zinc/22/99/32/1031229932.db2.gz OVMIPAYZDJGLAW-QZVUJWGUSA-N 2 1 375.516 3.576 20 0 GHADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001219644832 1031537605 /nfs/dbraw/zinc/53/76/05/1031537605.db2.gz GUPFJUQLZPZFPE-SQGPQFPESA-N 2 1 377.960 3.619 20 0 GHADMP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001220162120 1031810248 /nfs/dbraw/zinc/81/02/48/1031810248.db2.gz HRNGPYPHBYTGKK-CZTZKLFOSA-N 2 1 389.971 3.591 20 0 GHADMP CC(C)c1cc(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)ccc1Cl ZINC001277103366 1031817642 /nfs/dbraw/zinc/81/76/42/1031817642.db2.gz JAAMPQJICMKLAA-NRFANRHFSA-N 2 1 377.960 3.592 20 0 GHADMP CC(C)c1cc(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)ccc1Cl ZINC001277103366 1031817647 /nfs/dbraw/zinc/81/76/47/1031817647.db2.gz JAAMPQJICMKLAA-NRFANRHFSA-N 2 1 377.960 3.592 20 0 GHADMP COc1cc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)cc(OC)c1 ZINC001461822464 1069772314 /nfs/dbraw/zinc/77/23/14/1069772314.db2.gz JRDZEXYQPWGRKB-UHFFFAOYSA-N 2 1 392.503 3.616 20 0 GHADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCC(C)CC1 ZINC001220614425 1032013690 /nfs/dbraw/zinc/01/36/90/1032013690.db2.gz IXNWWICLRAEYEB-FGZHOGPDSA-N 2 1 392.632 3.839 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC001205263476 1033331434 /nfs/dbraw/zinc/33/14/34/1033331434.db2.gz OBFJJDHHNFKXLM-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+]1Cc2c(NC(=O)c3ccc4[nH]c(N)[nH+]c4c3)cccc2[C@@H](c2ccccc2)C1 ZINC001156975602 1033352586 /nfs/dbraw/zinc/35/25/86/1033352586.db2.gz RZJLHKKKGZBTKL-GOSISDBHSA-N 2 1 397.482 3.975 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)c3ccc4[nH]c(N)[nH+]c4c3)cccc2[C@@H](c2ccccc2)C1 ZINC001156975602 1033352597 /nfs/dbraw/zinc/35/25/97/1033352597.db2.gz RZJLHKKKGZBTKL-GOSISDBHSA-N 2 1 397.482 3.975 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001157019457 1033372868 /nfs/dbraw/zinc/37/28/68/1033372868.db2.gz CBNOMZQWZXVXGX-MRXNPFEDSA-N 2 1 384.902 3.576 20 0 GHADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2c(C)ccnc2N)cc1 ZINC001205706679 1033539079 /nfs/dbraw/zinc/53/90/79/1033539079.db2.gz RLGDEQSIAZBZAZ-UHFFFAOYSA-N 2 1 379.508 3.660 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2OC(F)F)CCC[C@H]1C[NH3+] ZINC001206025898 1033693011 /nfs/dbraw/zinc/69/30/11/1033693011.db2.gz PTFLKLSRKXFQKK-RYUDHWBXSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](c3ccccc3)[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157616646 1033693007 /nfs/dbraw/zinc/69/30/07/1033693007.db2.gz WJPLYRPRPKBXBH-WNXIRNOKSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@H]1C[N@@H+](Cc2c(Br)cccc2OC(F)F)CCC[C@@H]1C[NH3+] ZINC001206027899 1033693389 /nfs/dbraw/zinc/69/33/89/1033693389.db2.gz XCDDBIBJRJNYEA-NWDGAFQWSA-N 2 1 377.273 3.857 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@](F)(C[NH3+])CC1)c1ccccc1 ZINC001157744612 1033749652 /nfs/dbraw/zinc/74/96/52/1033749652.db2.gz KDKLSPDDQOOVDY-JTHBVZDNSA-N 2 1 383.511 3.539 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@](F)(C[NH3+])CC1)c1ccccc1 ZINC001157744612 1033749667 /nfs/dbraw/zinc/74/96/67/1033749667.db2.gz KDKLSPDDQOOVDY-JTHBVZDNSA-N 2 1 383.511 3.539 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC[C@@H]1F ZINC001206172738 1033752993 /nfs/dbraw/zinc/75/29/93/1033752993.db2.gz BPYNZVVEPSJMII-OALUTQOASA-N 2 1 386.902 3.999 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC[C@@H]1F ZINC001206172738 1033753008 /nfs/dbraw/zinc/75/30/08/1033753008.db2.gz BPYNZVVEPSJMII-OALUTQOASA-N 2 1 386.902 3.999 20 0 GHADMP Cc1cc(N2CCN(Cc3cc4c(s3)C[NH2+]CC4)CC2)c2ccccc2[nH+]1 ZINC001206284866 1033783046 /nfs/dbraw/zinc/78/30/46/1033783046.db2.gz IEFXITQJPSTLOL-UHFFFAOYSA-N 2 1 378.545 3.573 20 0 GHADMP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001230020480 1033852365 /nfs/dbraw/zinc/85/23/65/1033852365.db2.gz IXRSIFRZBIQMGD-CUXKYVRBSA-N 2 1 388.600 3.563 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001158032934 1033873388 /nfs/dbraw/zinc/87/33/88/1033873388.db2.gz YENNMCFRBQGTGY-NOZRDPDXSA-N 2 1 397.607 3.979 20 0 GHADMP CC(C)N(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@H]1CC[NH2+]C1 ZINC001158033369 1033873961 /nfs/dbraw/zinc/87/39/61/1033873961.db2.gz SRXHNMOCKYULJN-INIZCTEOSA-N 2 1 399.608 3.743 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(NCc3ccccc3OCc3ccccc3)n2)CC1 ZINC001158096189 1033914920 /nfs/dbraw/zinc/91/49/20/1033914920.db2.gz MLCQWLVBTFASNS-UHFFFAOYSA-N 2 1 389.503 3.595 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206607363 1033922986 /nfs/dbraw/zinc/92/29/86/1033922986.db2.gz ZOQWNQGRUMSBDG-AWEZNQCLSA-N 2 1 385.346 3.819 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206607363 1033922991 /nfs/dbraw/zinc/92/29/91/1033922991.db2.gz ZOQWNQGRUMSBDG-AWEZNQCLSA-N 2 1 385.346 3.819 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(Br)ncc2Cl)CC1 ZINC001206756086 1033971146 /nfs/dbraw/zinc/97/11/46/1033971146.db2.gz WBJCQGJYSORGPP-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ncccc1F)CC2 ZINC001207028409 1034059993 /nfs/dbraw/zinc/05/99/93/1034059993.db2.gz QKQSNTAOKGVSJG-MRXNPFEDSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ncccc1F)CC2 ZINC001207028409 1034060010 /nfs/dbraw/zinc/06/00/10/1034060010.db2.gz QKQSNTAOKGVSJG-MRXNPFEDSA-N 2 1 375.513 3.538 20 0 GHADMP COCC[N@H+](Cc1cnc(-c2ccccc2F)s1)CC1CC[NH+](C)CC1 ZINC001207076017 1034081479 /nfs/dbraw/zinc/08/14/79/1034081479.db2.gz KKZKDVQYUNKSOA-UHFFFAOYSA-N 2 1 377.529 3.739 20 0 GHADMP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC001207102374 1034094176 /nfs/dbraw/zinc/09/41/76/1034094176.db2.gz OIKMNBNQKWLKSE-PUYHXZAOSA-N 2 1 384.564 3.856 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001230643994 1034159385 /nfs/dbraw/zinc/15/93/85/1034159385.db2.gz QMZPNBHPEXRKPK-NRFANRHFSA-N 2 1 392.632 3.700 20 0 GHADMP CC1=CC[C@H](CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)C1(C)C ZINC001207271644 1034225813 /nfs/dbraw/zinc/22/58/13/1034225813.db2.gz GUDHJTYGNVFWHI-CZYKHXBRSA-N 2 1 385.600 3.834 20 0 GHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1(C)C ZINC001207271644 1034225825 /nfs/dbraw/zinc/22/58/25/1034225825.db2.gz GUDHJTYGNVFWHI-CZYKHXBRSA-N 2 1 385.600 3.834 20 0 GHADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1(C)C ZINC001207271644 1034225836 /nfs/dbraw/zinc/22/58/36/1034225836.db2.gz GUDHJTYGNVFWHI-CZYKHXBRSA-N 2 1 385.600 3.834 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC3CC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001207289547 1034240035 /nfs/dbraw/zinc/24/00/35/1034240035.db2.gz REFMMFCWIISFIQ-YPAWHYETSA-N 2 1 396.535 3.585 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H]2C[C@H]21 ZINC001207289481 1034240537 /nfs/dbraw/zinc/24/05/37/1034240537.db2.gz PLYLCQOLLVNVFD-LEWJYISDSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)[C@H]2C[C@H]21 ZINC001207289481 1034240543 /nfs/dbraw/zinc/24/05/43/1034240543.db2.gz PLYLCQOLLVNVFD-LEWJYISDSA-N 2 1 385.552 3.592 20 0 GHADMP CC1(C)C[C@H](C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359485 1034306480 /nfs/dbraw/zinc/30/64/80/1034306480.db2.gz VHWAKYFBOLJJTE-NQIIRXRSSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@H](C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359485 1034306495 /nfs/dbraw/zinc/30/64/95/1034306495.db2.gz VHWAKYFBOLJJTE-NQIIRXRSSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359485 1034306508 /nfs/dbraw/zinc/30/65/08/1034306508.db2.gz VHWAKYFBOLJJTE-NQIIRXRSSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359485 1034306518 /nfs/dbraw/zinc/30/65/18/1034306518.db2.gz VHWAKYFBOLJJTE-NQIIRXRSSA-N 2 1 393.522 3.820 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC1 ZINC001207394049 1034338194 /nfs/dbraw/zinc/33/81/94/1034338194.db2.gz JBRDOWZESLESDM-NOZRDPDXSA-N 2 1 393.575 3.873 20 0 GHADMP Clc1cccc(CC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001207424513 1034360479 /nfs/dbraw/zinc/36/04/79/1034360479.db2.gz VQTJTTJSUODMPC-UHFFFAOYSA-N 2 1 399.966 3.892 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001207435715 1034368887 /nfs/dbraw/zinc/36/88/87/1034368887.db2.gz KTOSIYMYIMCUHM-QPPBQGQZSA-N 2 1 399.579 3.713 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3(CNC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001461899316 1069857363 /nfs/dbraw/zinc/85/73/63/1069857363.db2.gz NUIPYWOWFQHLBG-LJQANCHMSA-N 2 1 379.589 3.735 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3(CNC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001461899316 1069857392 /nfs/dbraw/zinc/85/73/92/1069857392.db2.gz NUIPYWOWFQHLBG-LJQANCHMSA-N 2 1 379.589 3.735 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620305 1034491404 /nfs/dbraw/zinc/49/14/04/1034491404.db2.gz LYFUWIIMSGPDEW-OQLXKQOESA-N 2 1 381.564 3.597 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)CC1 ZINC001231431259 1034579037 /nfs/dbraw/zinc/57/90/37/1034579037.db2.gz QJWHHIPXZPPHCS-UHFFFAOYSA-N 2 1 383.561 3.577 20 0 GHADMP COC1CC[NH+](C2CC[NH+](Cc3ccc4cc(N(C)C)ccc4c3)CC2)CC1 ZINC001231443274 1034592016 /nfs/dbraw/zinc/59/20/16/1034592016.db2.gz HNDLBWNLLOLSTJ-UHFFFAOYSA-N 2 1 381.564 3.981 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)nc3NC(=O)C(C)(C)C)C2)CC1 ZINC001231449903 1034594539 /nfs/dbraw/zinc/59/45/39/1034594539.db2.gz LOMUDMCRWMMHDI-UHFFFAOYSA-N 2 1 378.948 3.637 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)nc3NC(=O)C(C)(C)C)C2)CC1 ZINC001231449903 1034594547 /nfs/dbraw/zinc/59/45/47/1034594547.db2.gz LOMUDMCRWMMHDI-UHFFFAOYSA-N 2 1 378.948 3.637 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207827926 1034604475 /nfs/dbraw/zinc/60/44/75/1034604475.db2.gz PTDIAIROJDDXAF-DLBZAZTESA-N 2 1 391.547 3.788 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)s1 ZINC001231500026 1034642790 /nfs/dbraw/zinc/64/27/90/1034642790.db2.gz PLYWODZGCCTGAB-LJQANCHMSA-N 2 1 385.577 3.961 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1(C)CCOCC1)CC2 ZINC001207967575 1034684042 /nfs/dbraw/zinc/68/40/42/1034684042.db2.gz UPCRIBNRAZHLNW-SFHVURJKSA-N 2 1 378.582 3.620 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)CC1 ZINC001208107605 1034739075 /nfs/dbraw/zinc/73/90/75/1034739075.db2.gz QJKHIPLRBAIZJE-OAQYLSRUSA-N 2 1 377.523 3.956 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC[C@@H](C)SC)CC2 ZINC001208139614 1034752420 /nfs/dbraw/zinc/75/24/20/1034752420.db2.gz AQIAWPWKZXCDLP-IAGOWNOFSA-N 2 1 383.627 3.588 20 0 GHADMP CN(C)c1cc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001208182259 1034779694 /nfs/dbraw/zinc/77/96/94/1034779694.db2.gz DWBTVTSGGZPCOF-IBGZPJMESA-N 2 1 381.524 3.571 20 0 GHADMP CN(C)c1cc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001208182259 1034779708 /nfs/dbraw/zinc/77/97/08/1034779708.db2.gz DWBTVTSGGZPCOF-IBGZPJMESA-N 2 1 381.524 3.571 20 0 GHADMP C[NH+](C)CC1(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CCCC1 ZINC001208187564 1034784609 /nfs/dbraw/zinc/78/46/09/1034784609.db2.gz ZMQSFRIOZCQOJG-QHCPKHFHSA-N 2 1 399.623 3.864 20 0 GHADMP CN(C)CC1(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)CCCC1 ZINC001208187564 1034784616 /nfs/dbraw/zinc/78/46/16/1034784616.db2.gz ZMQSFRIOZCQOJG-QHCPKHFHSA-N 2 1 399.623 3.864 20 0 GHADMP CN(C)CC1(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CCCC1 ZINC001208187564 1034784631 /nfs/dbraw/zinc/78/46/31/1034784631.db2.gz ZMQSFRIOZCQOJG-QHCPKHFHSA-N 2 1 399.623 3.864 20 0 GHADMP CCN(CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578312 1034937854 /nfs/dbraw/zinc/93/78/54/1034937854.db2.gz SXJICIWIPSADQD-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578312 1034937857 /nfs/dbraw/zinc/93/78/57/1034937857.db2.gz SXJICIWIPSADQD-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578312 1034937859 /nfs/dbraw/zinc/93/78/59/1034937859.db2.gz SXJICIWIPSADQD-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578312 1034937863 /nfs/dbraw/zinc/93/78/63/1034937863.db2.gz SXJICIWIPSADQD-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578312 1034937868 /nfs/dbraw/zinc/93/78/68/1034937868.db2.gz SXJICIWIPSADQD-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP [NH3+]C[C@@]1(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C[NH+]2CCC1CC2 ZINC001160521257 1034994224 /nfs/dbraw/zinc/99/42/24/1034994224.db2.gz XGWKBCAYLJOWMU-JOCHJYFZSA-N 2 1 393.922 3.785 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908972 1035086003 /nfs/dbraw/zinc/08/60/03/1035086003.db2.gz RHUOGYCVJSJFMN-NOZRDPDXSA-N 2 1 397.607 3.583 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908972 1035086009 /nfs/dbraw/zinc/08/60/09/1035086009.db2.gz RHUOGYCVJSJFMN-NOZRDPDXSA-N 2 1 397.607 3.583 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCN(c3ccccc3)CC1)C2 ZINC001208908972 1035086015 /nfs/dbraw/zinc/08/60/15/1035086015.db2.gz RHUOGYCVJSJFMN-NOZRDPDXSA-N 2 1 397.607 3.583 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3ccccc3C[NH3+])c2c1C ZINC001160908187 1035091216 /nfs/dbraw/zinc/09/12/16/1035091216.db2.gz KCYCNKHDFKJAKZ-UHFFFAOYSA-N 2 1 381.549 3.975 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208932396 1035096230 /nfs/dbraw/zinc/09/62/30/1035096230.db2.gz PPEYXWIOGUAXKL-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208932396 1035096235 /nfs/dbraw/zinc/09/62/35/1035096235.db2.gz PPEYXWIOGUAXKL-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208932396 1035096241 /nfs/dbraw/zinc/09/62/41/1035096241.db2.gz PPEYXWIOGUAXKL-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP O=C(NC1CCC1)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936430 1035103011 /nfs/dbraw/zinc/10/30/11/1035103011.db2.gz SJDKWXDWHXBHGK-JTHBVZDNSA-N 2 1 395.591 3.669 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208937223 1035104258 /nfs/dbraw/zinc/10/42/58/1035104258.db2.gz RUJMACXARAEYDA-HSZRJFAPSA-N 2 1 383.580 3.766 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940176 1035108397 /nfs/dbraw/zinc/10/83/97/1035108397.db2.gz AVBLMSQIPVOPBD-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208940176 1035108403 /nfs/dbraw/zinc/10/84/03/1035108403.db2.gz AVBLMSQIPVOPBD-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208940176 1035108406 /nfs/dbraw/zinc/10/84/06/1035108406.db2.gz AVBLMSQIPVOPBD-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208941876 1035112441 /nfs/dbraw/zinc/11/24/41/1035112441.db2.gz NNTRRNJXGKVZCW-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208941876 1035112445 /nfs/dbraw/zinc/11/24/45/1035112445.db2.gz NNTRRNJXGKVZCW-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208941876 1035112447 /nfs/dbraw/zinc/11/24/47/1035112447.db2.gz NNTRRNJXGKVZCW-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP O=c1oc2ccccc2n1C1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947710 1035117583 /nfs/dbraw/zinc/11/75/83/1035117583.db2.gz BZSYSWLQAIEDCW-FQEVSTJZSA-N 2 1 391.515 3.754 20 0 GHADMP O=c1oc2ccccc2n1C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947710 1035117587 /nfs/dbraw/zinc/11/75/87/1035117587.db2.gz BZSYSWLQAIEDCW-FQEVSTJZSA-N 2 1 391.515 3.754 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948942 1035119177 /nfs/dbraw/zinc/11/91/77/1035119177.db2.gz UDYHZCRADGEGSS-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948942 1035119182 /nfs/dbraw/zinc/11/91/82/1035119182.db2.gz UDYHZCRADGEGSS-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948942 1035119185 /nfs/dbraw/zinc/11/91/85/1035119185.db2.gz UDYHZCRADGEGSS-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948942 1035119190 /nfs/dbraw/zinc/11/91/90/1035119190.db2.gz UDYHZCRADGEGSS-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001232143643 1035122036 /nfs/dbraw/zinc/12/20/36/1035122036.db2.gz BJITUVPFNBAPRO-DNVCBOLYSA-N 2 1 379.520 3.622 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC001232143643 1035122038 /nfs/dbraw/zinc/12/20/38/1035122038.db2.gz BJITUVPFNBAPRO-DNVCBOLYSA-N 2 1 379.520 3.622 20 0 GHADMP c1cc(-c2ncnc3c2CC[NH+](C[C@@H]2CC[N@@H+](Cc4ccccc4)C2)CC3)co1 ZINC001208951894 1035123238 /nfs/dbraw/zinc/12/32/38/1035123238.db2.gz NSNLVABMTQRKPV-FQEVSTJZSA-N 2 1 388.515 3.659 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@H+](C[C@@H]2CC[NH+](Cc4ccccc4)C2)CC3)co1 ZINC001208951894 1035123243 /nfs/dbraw/zinc/12/32/43/1035123243.db2.gz NSNLVABMTQRKPV-FQEVSTJZSA-N 2 1 388.515 3.659 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@@H+](C[C@@H]2CC[NH+](Cc4ccccc4)C2)CC3)co1 ZINC001208951894 1035123246 /nfs/dbraw/zinc/12/32/46/1035123246.db2.gz NSNLVABMTQRKPV-FQEVSTJZSA-N 2 1 388.515 3.659 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208952534 1035125846 /nfs/dbraw/zinc/12/58/46/1035125846.db2.gz KDASLHNHYRGYKK-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952534 1035125850 /nfs/dbraw/zinc/12/58/50/1035125850.db2.gz KDASLHNHYRGYKK-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952534 1035125853 /nfs/dbraw/zinc/12/58/53/1035125853.db2.gz KDASLHNHYRGYKK-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208955872 1035127779 /nfs/dbraw/zinc/12/77/79/1035127779.db2.gz GENPPQOBUDMTRA-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208955872 1035127785 /nfs/dbraw/zinc/12/77/85/1035127785.db2.gz GENPPQOBUDMTRA-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208955872 1035127795 /nfs/dbraw/zinc/12/77/95/1035127795.db2.gz GENPPQOBUDMTRA-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208955872 1035127799 /nfs/dbraw/zinc/12/77/99/1035127799.db2.gz GENPPQOBUDMTRA-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958614 1035129216 /nfs/dbraw/zinc/12/92/16/1035129216.db2.gz PWOUNHGPPJWQCG-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958614 1035129226 /nfs/dbraw/zinc/12/92/26/1035129226.db2.gz PWOUNHGPPJWQCG-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958614 1035129232 /nfs/dbraw/zinc/12/92/32/1035129232.db2.gz PWOUNHGPPJWQCG-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958614 1035129241 /nfs/dbraw/zinc/12/92/41/1035129241.db2.gz PWOUNHGPPJWQCG-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208956446 1035130645 /nfs/dbraw/zinc/13/06/45/1035130645.db2.gz ICZKBXNHJDCDKS-TZIWHRDSSA-N 2 1 380.532 3.797 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208956446 1035130648 /nfs/dbraw/zinc/13/06/48/1035130648.db2.gz ICZKBXNHJDCDKS-TZIWHRDSSA-N 2 1 380.532 3.797 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208956446 1035130656 /nfs/dbraw/zinc/13/06/56/1035130656.db2.gz ICZKBXNHJDCDKS-TZIWHRDSSA-N 2 1 380.532 3.797 20 0 GHADMP Brc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001232164497 1035138607 /nfs/dbraw/zinc/13/86/07/1035138607.db2.gz SGUVLXOBQXDFQP-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Brc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001232164497 1035138613 /nfs/dbraw/zinc/13/86/13/1035138613.db2.gz SGUVLXOBQXDFQP-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209008451 1035147537 /nfs/dbraw/zinc/14/75/37/1035147537.db2.gz WFBMXHLITYLBMF-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209008451 1035147542 /nfs/dbraw/zinc/14/75/42/1035147542.db2.gz WFBMXHLITYLBMF-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209008451 1035147547 /nfs/dbraw/zinc/14/75/47/1035147547.db2.gz WFBMXHLITYLBMF-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001209154666 1035195391 /nfs/dbraw/zinc/19/53/91/1035195391.db2.gz QNQNDOHFHIUJQZ-KSEOMHKRSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209154666 1035195396 /nfs/dbraw/zinc/19/53/96/1035195396.db2.gz QNQNDOHFHIUJQZ-KSEOMHKRSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209154666 1035195399 /nfs/dbraw/zinc/19/53/99/1035195399.db2.gz QNQNDOHFHIUJQZ-KSEOMHKRSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209154666 1035195402 /nfs/dbraw/zinc/19/54/02/1035195402.db2.gz QNQNDOHFHIUJQZ-KSEOMHKRSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209154666 1035195407 /nfs/dbraw/zinc/19/54/07/1035195407.db2.gz QNQNDOHFHIUJQZ-KSEOMHKRSA-N 2 1 387.568 3.736 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](CCCCOCc1ccccc1)CC2 ZINC001209259111 1035225735 /nfs/dbraw/zinc/22/57/35/1035225735.db2.gz PGNQCIOUUOTGNP-UHFFFAOYSA-N 2 1 396.579 3.724 20 0 GHADMP O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209450826 1035277144 /nfs/dbraw/zinc/27/71/44/1035277144.db2.gz CRYXMTZIXFCWLS-UHFFFAOYSA-N 2 1 389.609 3.942 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(F)c1O ZINC001209538606 1035308320 /nfs/dbraw/zinc/30/83/20/1035308320.db2.gz WMCYSECCKFJDKG-WOJBJXKFSA-N 2 1 384.495 3.884 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209648619 1035342270 /nfs/dbraw/zinc/34/22/70/1035342270.db2.gz WFRQLMSPWLJAHW-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cccc5[nH]cc(Cl)c54)C[C@H]3C2)cn1 ZINC001209654474 1035343855 /nfs/dbraw/zinc/34/38/55/1035343855.db2.gz GCTDKAABEWNYHK-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5[nH]cc(Cl)c54)C[C@H]3C2)cn1 ZINC001209654474 1035343859 /nfs/dbraw/zinc/34/38/59/1035343859.db2.gz GCTDKAABEWNYHK-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5[nH]cc(Cl)c54)C[C@H]3C2)cn1 ZINC001209654474 1035343863 /nfs/dbraw/zinc/34/38/63/1035343863.db2.gz GCTDKAABEWNYHK-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5[nH]cc(Cl)c54)C[C@H]3C2)cn1 ZINC001209654474 1035343866 /nfs/dbraw/zinc/34/38/66/1035343866.db2.gz GCTDKAABEWNYHK-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5[nH]cc(Cl)c54)C[C@H]3C2)cn1 ZINC001209654474 1035343870 /nfs/dbraw/zinc/34/38/70/1035343870.db2.gz GCTDKAABEWNYHK-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3cc(F)cc(C)c3C[NH+]3CCOCC3)cc2)CC1 ZINC001241746082 1035671978 /nfs/dbraw/zinc/67/19/78/1035671978.db2.gz UIBGUAUTDYWIJH-UHFFFAOYSA-N 2 1 397.538 3.775 20 0 GHADMP C[NH+](C)CCOc1ccc(-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001242147990 1035831912 /nfs/dbraw/zinc/83/19/12/1035831912.db2.gz SBWLIUHFVVNHTO-UHFFFAOYSA-N 2 1 388.515 3.642 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC001248628150 1036005205 /nfs/dbraw/zinc/00/52/05/1036005205.db2.gz CJMULAKOFIENBZ-HXUWFJFHSA-N 2 1 399.926 3.870 20 0 GHADMP CCCCCCc1csc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001248683073 1036049903 /nfs/dbraw/zinc/04/99/03/1036049903.db2.gz LCTPFNNMKQHJNV-UHFFFAOYSA-N 2 1 391.625 3.857 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(-c3cccc(OCC[NH+](C)C)c3)c2c1C ZINC001243747054 1036266699 /nfs/dbraw/zinc/26/66/99/1036266699.db2.gz FNCUEYZJMYQXEI-UHFFFAOYSA-N 2 1 384.549 3.977 20 0 GHADMP CCCN(CCC)C(=O)c1cccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1 ZINC001244214388 1036433315 /nfs/dbraw/zinc/43/33/15/1036433315.db2.gz LIQQHTQDFZEAND-UHFFFAOYSA-N 2 1 376.504 3.950 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)C1 ZINC001462117563 1070008592 /nfs/dbraw/zinc/00/85/92/1070008592.db2.gz RJCSDTLMTVLKPQ-REWPJTCUSA-N 2 1 389.559 3.760 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001462117563 1070008604 /nfs/dbraw/zinc/00/86/04/1070008604.db2.gz RJCSDTLMTVLKPQ-REWPJTCUSA-N 2 1 389.559 3.760 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001462117563 1070008619 /nfs/dbraw/zinc/00/86/19/1070008619.db2.gz RJCSDTLMTVLKPQ-REWPJTCUSA-N 2 1 389.559 3.760 20 0 GHADMP C[NH2+][C@H]1C[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246011282 1037131730 /nfs/dbraw/zinc/13/17/30/1037131730.db2.gz UOOUEXOPMQMDST-BXWFABGCSA-N 2 1 377.315 3.938 20 0 GHADMP CC(C)[N@@H+](C[C@H](O)COCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001246019615 1037138915 /nfs/dbraw/zinc/13/89/15/1037138915.db2.gz GMKLFOKNPKVPTO-HOTGVXAUSA-N 2 1 389.367 3.723 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246028427 1037143421 /nfs/dbraw/zinc/14/34/21/1037143421.db2.gz RYIWUBWCHDYTDS-KOSHJBKYSA-N 2 1 393.531 3.669 20 0 GHADMP O[C@]1(C[N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CCC[NH2+]C1 ZINC001246034657 1037151951 /nfs/dbraw/zinc/15/19/51/1037151951.db2.gz QTVQJKRHOOUNLJ-RUZDIDTESA-N 3 1 399.623 3.649 20 0 GHADMP O[C@]1(C[N@@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CCCNC1 ZINC001246034657 1037151990 /nfs/dbraw/zinc/15/19/90/1037151990.db2.gz QTVQJKRHOOUNLJ-RUZDIDTESA-N 2 1 399.623 3.649 20 0 GHADMP O[C@]1(C[N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CCCNC1 ZINC001246034657 1037152008 /nfs/dbraw/zinc/15/20/08/1037152008.db2.gz QTVQJKRHOOUNLJ-RUZDIDTESA-N 2 1 399.623 3.649 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+]1CCC(c2ccccc2Cl)CC1 ZINC001246047450 1037160503 /nfs/dbraw/zinc/16/05/03/1037160503.db2.gz FAYHHSYEKGLCNY-LEWJYISDSA-N 2 1 394.893 3.729 20 0 GHADMP O[C@H](C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1)c1ccccc1 ZINC001246054434 1037168805 /nfs/dbraw/zinc/16/88/05/1037168805.db2.gz YVDWNQYZNUJZON-HXUWFJFHSA-N 2 1 389.337 3.737 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001246056118 1037170871 /nfs/dbraw/zinc/17/08/71/1037170871.db2.gz NOXOWVFMVXYYHG-YUXAGFNASA-N 2 1 385.458 3.514 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001246062829 1037175283 /nfs/dbraw/zinc/17/52/83/1037175283.db2.gz JIZKBUBGZAPGCQ-KSEOMHKRSA-N 2 1 385.458 3.514 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001246062828 1037176319 /nfs/dbraw/zinc/17/63/19/1037176319.db2.gz JIZKBUBGZAPGCQ-ILWGZMRPSA-N 2 1 385.458 3.514 20 0 GHADMP Cc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246066732 1037181149 /nfs/dbraw/zinc/18/11/49/1037181149.db2.gz MEOGOSWBQNQFTH-HJOGWXRNSA-N 2 1 382.548 3.645 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070469 1037186067 /nfs/dbraw/zinc/18/60/67/1037186067.db2.gz NYSLSDYWNFNQQV-GMKZXUHWSA-N 2 1 385.596 3.528 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070469 1037186079 /nfs/dbraw/zinc/18/60/79/1037186079.db2.gz NYSLSDYWNFNQQV-GMKZXUHWSA-N 3 1 385.596 3.528 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070469 1037186093 /nfs/dbraw/zinc/18/60/93/1037186093.db2.gz NYSLSDYWNFNQQV-GMKZXUHWSA-N 3 1 385.596 3.528 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070469 1037186102 /nfs/dbraw/zinc/18/61/02/1037186102.db2.gz NYSLSDYWNFNQQV-GMKZXUHWSA-N 3 1 385.596 3.528 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CCCCC2)CC1 ZINC001246070469 1037186109 /nfs/dbraw/zinc/18/61/09/1037186109.db2.gz NYSLSDYWNFNQQV-GMKZXUHWSA-N 3 1 385.596 3.528 20 0 GHADMP CC1(C)CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC(C)(C)O1 ZINC001246118813 1037201099 /nfs/dbraw/zinc/20/10/99/1037201099.db2.gz BFPQTVYPUKVHQX-NRFANRHFSA-N 3 1 399.623 3.814 20 0 GHADMP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123202 1037203436 /nfs/dbraw/zinc/20/34/36/1037203436.db2.gz UFUDQJYOPUGOHX-JTHBVZDNSA-N 3 1 387.612 3.529 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CC[NH2+]2)cc1 ZINC001246133048 1037209642 /nfs/dbraw/zinc/20/96/42/1037209642.db2.gz PHAUZZADJSPEBR-XJUOHMSHSA-N 3 1 391.559 3.585 20 0 GHADMP Fc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246136183 1037209787 /nfs/dbraw/zinc/20/97/87/1037209787.db2.gz COZAEQBGDLLAPK-IMSXRSKXSA-N 2 1 393.550 3.845 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC[NH2+]1 ZINC001246271093 1037267265 /nfs/dbraw/zinc/26/72/65/1037267265.db2.gz DXRVGVJVKLYPCB-VJBWXMMDSA-N 2 1 385.596 3.947 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246281643 1037274109 /nfs/dbraw/zinc/27/41/09/1037274109.db2.gz OTDQGVLBRMZRNS-PCJLFUNRSA-N 2 1 382.589 3.753 20 0 GHADMP COC(=O)[C@H]([NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001246329035 1037297695 /nfs/dbraw/zinc/29/76/95/1037297695.db2.gz MWVSNSXWBKRQBW-FDDCHVKYSA-N 2 1 380.532 3.728 20 0 GHADMP COC(=O)[C@@H]([NH2+][C@H](C)CC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001246329037 1037298082 /nfs/dbraw/zinc/29/80/82/1037298082.db2.gz MWVSNSXWBKRQBW-JPYJTQIMSA-N 2 1 380.532 3.728 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246334050 1037300227 /nfs/dbraw/zinc/30/02/27/1037300227.db2.gz XLNYDXADRLERKJ-WBTXTPOCSA-N 2 1 378.944 3.671 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246362171 1037322922 /nfs/dbraw/zinc/32/29/22/1037322922.db2.gz NXLLDXZMOBLSOG-QZNHQXDQSA-N 2 1 385.502 3.930 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246372102 1037330375 /nfs/dbraw/zinc/33/03/75/1037330375.db2.gz CFCSOXCPZDFPMX-XUZZJYLKSA-N 3 1 377.576 3.951 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246372102 1037330392 /nfs/dbraw/zinc/33/03/92/1037330392.db2.gz CFCSOXCPZDFPMX-XUZZJYLKSA-N 3 1 377.576 3.951 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC[NH2+]1 ZINC001246388879 1037350248 /nfs/dbraw/zinc/35/02/48/1037350248.db2.gz NFWZPHOPFRVWMF-UXHICEINSA-N 2 1 381.499 3.936 20 0 GHADMP CC[C@H](C)[C@H]([NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246397110 1037356013 /nfs/dbraw/zinc/35/60/13/1037356013.db2.gz SAMXISYLNFPUJN-JDVZNGIOSA-N 2 1 399.535 3.573 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246439562 1037402427 /nfs/dbraw/zinc/40/24/27/1037402427.db2.gz ZBZPQCXJFHMKJA-OALUTQOASA-N 3 1 383.502 3.818 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246476935 1037426748 /nfs/dbraw/zinc/42/67/48/1037426748.db2.gz DTWJOEULDNMCDA-RXVVDRJESA-N 2 1 386.561 3.776 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(=O)SCc1ccccc1)C2 ZINC001246494291 1037439645 /nfs/dbraw/zinc/43/96/45/1037439645.db2.gz XZPGEBCZDAASSI-BURNTYAHSA-N 3 1 389.609 3.549 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(=O)SCc1ccccc1)C2 ZINC001246494291 1037439655 /nfs/dbraw/zinc/43/96/55/1037439655.db2.gz XZPGEBCZDAASSI-BURNTYAHSA-N 2 1 389.609 3.549 20 0 GHADMP COc1cccc([C@H](C[NH3+])NC2CCC(C3CCC4(CC3)OCCO4)CC2)c1 ZINC001246510347 1037450468 /nfs/dbraw/zinc/45/04/68/1037450468.db2.gz KXXZXFUISQYSHO-QVHXHXEWSA-N 2 1 388.552 3.777 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001246553289 1037477876 /nfs/dbraw/zinc/47/78/76/1037477876.db2.gz XPIKTELBSIUJAT-GOSISDBHSA-N 2 1 384.337 3.571 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H](C)CSc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC001246609335 1037501946 /nfs/dbraw/zinc/50/19/46/1037501946.db2.gz LMODDGDQCPFPOL-MAUKXSAKSA-N 2 1 396.984 3.828 20 0 GHADMP Brc1ccc(N2CCC([N@@H+]3CCC[C@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC001246617271 1037507513 /nfs/dbraw/zinc/50/75/13/1037507513.db2.gz HZRSKCWGBOEXHE-LJQANCHMSA-N 2 1 378.358 3.636 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCC[C@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC001246617271 1037507534 /nfs/dbraw/zinc/50/75/34/1037507534.db2.gz HZRSKCWGBOEXHE-LJQANCHMSA-N 2 1 378.358 3.636 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3ccc(C)cc3C1)CC2 ZINC001246629517 1037515654 /nfs/dbraw/zinc/51/56/54/1037515654.db2.gz FQSXHPSQSFBFTK-QFIPXVFZSA-N 2 1 376.544 3.998 20 0 GHADMP [NH3+][C@H]1[C@H]2C[N@@H+](C3CCC([NH+](Cc4ccccc4)Cc4ccccc4)CC3)C[C@@H]12 ZINC001246661851 1037533225 /nfs/dbraw/zinc/53/32/25/1037533225.db2.gz MFTCNHFYPDMQDB-RECJUBGPSA-N 2 1 375.560 3.889 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC[NH2+]1 ZINC001246697553 1037552578 /nfs/dbraw/zinc/55/25/78/1037552578.db2.gz VMIVXVGOHXEBCO-GHTZIAJQSA-N 2 1 382.527 3.850 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC[NH2+]1 ZINC001246698255 1037554843 /nfs/dbraw/zinc/55/48/43/1037554843.db2.gz WZEQCJKFQHEUKS-WOJBJXKFSA-N 2 1 382.527 3.994 20 0 GHADMP O=C1C[C@]2(CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)CN1c1ccc(F)cc1 ZINC001246714335 1037568073 /nfs/dbraw/zinc/56/80/73/1037568073.db2.gz KTGXYOPZMHTFCT-HXJXPZHGSA-N 2 1 385.527 3.567 20 0 GHADMP CC[C@@H]1[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727752 1037577217 /nfs/dbraw/zinc/57/72/17/1037577217.db2.gz WDYLTUNNVKCPDV-MXBUBSDBSA-N 2 1 375.601 3.799 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246736739 1037580861 /nfs/dbraw/zinc/58/08/61/1037580861.db2.gz JBYYWBHOUWKZDE-KJJMTIBFSA-N 2 1 378.601 3.841 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CC[NH2+]1 ZINC001246747757 1037587189 /nfs/dbraw/zinc/58/71/89/1037587189.db2.gz RLGQHYFDBXLTPI-GBAAUQCPSA-N 2 1 383.580 3.635 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752427 1037592354 /nfs/dbraw/zinc/59/23/54/1037592354.db2.gz CCTILGVCBLADIC-QTEQDKRBSA-N 2 1 395.572 3.540 20 0 GHADMP O=C(C[C@H]1CC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc21)NC1CCC1 ZINC001246759141 1037602176 /nfs/dbraw/zinc/60/21/76/1037602176.db2.gz YAKKMYFOTPOKNB-FPOVZHCZSA-N 2 1 395.591 3.708 20 0 GHADMP Brc1cccc([C@@H]2CN([C@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]2)c1 ZINC001246806984 1037640922 /nfs/dbraw/zinc/64/09/22/1037640922.db2.gz PSBWXROGIZZWAK-PMACEKPBSA-N 2 1 392.385 3.802 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246812650 1037645201 /nfs/dbraw/zinc/64/52/01/1037645201.db2.gz VPGYHHGSXPCFEF-NSXLHWASSA-N 2 1 381.564 3.553 20 0 GHADMP c1ccc(C[C@H]2C[NH2+]CCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246819820 1037653234 /nfs/dbraw/zinc/65/32/34/1037653234.db2.gz TVQBLSJULRVIKZ-LIONHTAISA-N 2 1 375.560 3.699 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C[C@H](C)[NH2+]1 ZINC001246826863 1037660724 /nfs/dbraw/zinc/66/07/24/1037660724.db2.gz ZIPFHBDCNMEAEU-MIFYACCESA-N 2 1 378.973 3.991 20 0 GHADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246839772 1037668962 /nfs/dbraw/zinc/66/89/62/1037668962.db2.gz LVDDFNLXDIBKMC-SDHSZQHLSA-N 2 1 377.576 3.946 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001246871870 1037688637 /nfs/dbraw/zinc/68/86/37/1037688637.db2.gz NZHYHDFBOJAKCA-YKSBVNFPSA-N 2 1 377.576 3.952 20 0 GHADMP Cc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246887402 1037703622 /nfs/dbraw/zinc/70/36/22/1037703622.db2.gz NIVSDHPRVROAOF-XLIONFOSSA-N 2 1 383.536 3.661 20 0 GHADMP CC1(C)[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246923006 1037729138 /nfs/dbraw/zinc/72/91/38/1037729138.db2.gz AJMJBSVKHLOGHN-LJFZDNNRSA-N 2 1 376.500 3.821 20 0 GHADMP CC1(C)[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246923006 1037729157 /nfs/dbraw/zinc/72/91/57/1037729157.db2.gz AJMJBSVKHLOGHN-LJFZDNNRSA-N 2 1 376.500 3.821 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246940473 1037745975 /nfs/dbraw/zinc/74/59/75/1037745975.db2.gz FDRUEUXNPNGANC-PZJWPPBQSA-N 2 1 376.516 3.749 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([N@@H+](Cc1ccccn1)C1CC[NH2+]CC1)CC2 ZINC001246952280 1037754584 /nfs/dbraw/zinc/75/45/84/1037754584.db2.gz KKTRAZXZGFCSGI-GOSISDBHSA-N 2 1 385.939 3.855 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955553 1037764577 /nfs/dbraw/zinc/76/45/77/1037764577.db2.gz NYRPDBAZHHIJHN-GOSISDBHSA-N 2 1 395.494 3.530 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955553 1037764588 /nfs/dbraw/zinc/76/45/88/1037764588.db2.gz NYRPDBAZHHIJHN-GOSISDBHSA-N 2 1 395.494 3.530 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2cccc(OC)c2)C2CC[NH2+]CC2)c1 ZINC001246959757 1037778134 /nfs/dbraw/zinc/77/81/34/1037778134.db2.gz SJQGVSAHFKWJAO-GOSISDBHSA-N 2 1 396.531 3.667 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246965335 1037787210 /nfs/dbraw/zinc/78/72/10/1037787210.db2.gz PTTWZVOUPLIZPS-TUFLPTIASA-N 2 1 388.552 3.889 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)CC1 ZINC001246964674 1037788104 /nfs/dbraw/zinc/78/81/04/1037788104.db2.gz ORBLPCVVMKTMBN-UHFFFAOYSA-N 2 1 388.552 3.761 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)c1 ZINC001246975908 1037799993 /nfs/dbraw/zinc/79/99/93/1037799993.db2.gz DDXJBTVUCQFPLU-KNQAVFIVSA-N 2 1 398.526 3.589 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)c1-c1ccccc1 ZINC001246992266 1037814121 /nfs/dbraw/zinc/81/41/21/1037814121.db2.gz VJQHVORSHNGQBC-OLMNPRSZSA-N 2 1 384.549 3.698 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+]([C@@H]2CCC4(C[NH2+]C4)C2)C3)cc1 ZINC001246998231 1037821387 /nfs/dbraw/zinc/82/13/87/1037821387.db2.gz YCFIXACKWLGXPE-HSZRJFAPSA-N 2 1 387.571 3.926 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC001232300820 1038046436 /nfs/dbraw/zinc/04/64/36/1038046436.db2.gz JDENGYDTKNOFOZ-UHFFFAOYSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C)n1 ZINC001232334140 1038115340 /nfs/dbraw/zinc/11/53/40/1038115340.db2.gz AWCMWFGZQWNGQG-UHFFFAOYSA-N 2 1 380.536 3.670 20 0 GHADMP C[C@@]1(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CCC[NH2+]CC1 ZINC001247736065 1038355071 /nfs/dbraw/zinc/35/50/71/1038355071.db2.gz PQBBOIGZLPMWII-WIYYLYMNSA-N 2 1 381.455 3.639 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc5ccsc5c4)C3)O2)CC1 ZINC001232612696 1038399570 /nfs/dbraw/zinc/39/95/70/1038399570.db2.gz FIJRZZOBAHAIMV-FYYLOGMGSA-N 2 1 399.604 3.662 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc5ccsc5c4)C3)O2)CC1 ZINC001232612696 1038399580 /nfs/dbraw/zinc/39/95/80/1038399580.db2.gz FIJRZZOBAHAIMV-FYYLOGMGSA-N 2 1 399.604 3.662 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc5ccsc5c4)C3)O2)CC1 ZINC001232612696 1038399595 /nfs/dbraw/zinc/39/95/95/1038399595.db2.gz FIJRZZOBAHAIMV-FYYLOGMGSA-N 2 1 399.604 3.662 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Br)c2ccc(OC)nc12 ZINC001232646438 1038434010 /nfs/dbraw/zinc/43/40/10/1038434010.db2.gz ACADENLGHCQTET-UHFFFAOYSA-N 2 1 380.330 3.780 20 0 GHADMP COc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c2ccccc12 ZINC001247906443 1038478246 /nfs/dbraw/zinc/47/82/46/1038478246.db2.gz WXKYODFMZUJAKC-MRXNPFEDSA-N 2 1 392.503 3.830 20 0 GHADMP Fc1cc(F)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1Cl ZINC001247906766 1038480745 /nfs/dbraw/zinc/48/07/45/1038480745.db2.gz FYNVBQGSMZBVGW-UHFFFAOYSA-N 2 1 382.842 3.600 20 0 GHADMP Fc1cc(Cl)c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1F ZINC001247907513 1038481073 /nfs/dbraw/zinc/48/10/73/1038481073.db2.gz TZYACTMCZMECPV-LLVKDONJSA-N 2 1 382.842 3.600 20 0 GHADMP COc1ccc2cccc(-c3noc(C4CC[NH+](C5CC[NH2+]CC5)CC4)n3)c2c1 ZINC001247910003 1038482841 /nfs/dbraw/zinc/48/28/41/1038482841.db2.gz XQMSDMDCLSDBJG-UHFFFAOYSA-N 2 1 392.503 3.830 20 0 GHADMP Cc1c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccnc1Cl ZINC001232750241 1038533298 /nfs/dbraw/zinc/53/32/98/1038533298.db2.gz CCMLLAMGMWWHGP-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942488 1038722639 /nfs/dbraw/zinc/72/26/39/1038722639.db2.gz ZXJKHEKSMZHBQH-KAGYGMCKSA-N 2 1 376.504 3.955 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942488 1038722646 /nfs/dbraw/zinc/72/26/46/1038722646.db2.gz ZXJKHEKSMZHBQH-KAGYGMCKSA-N 2 1 376.504 3.955 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942488 1038722659 /nfs/dbraw/zinc/72/26/59/1038722659.db2.gz ZXJKHEKSMZHBQH-KAGYGMCKSA-N 2 1 376.504 3.955 20 0 GHADMP CC(C)Oc1ncc(Cl)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001233165024 1038937300 /nfs/dbraw/zinc/93/73/00/1038937300.db2.gz QFWRNIFVUHHWPJ-UHFFFAOYSA-N 2 1 395.975 3.847 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4cccc(C)c4)cc3)CC[C@@H]2C1 ZINC001233222246 1038981964 /nfs/dbraw/zinc/98/19/64/1038981964.db2.gz LDSNVBKNASGNLJ-JWQCQUIFSA-N 2 1 394.559 3.831 20 0 GHADMP CCOC(=O)c1ccnc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001233328243 1039121748 /nfs/dbraw/zinc/12/17/48/1039121748.db2.gz ARAFMBJJVUBZAM-YADHBBJMSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001233328243 1039121753 /nfs/dbraw/zinc/12/17/53/1039121753.db2.gz ARAFMBJJVUBZAM-YADHBBJMSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001233328243 1039121764 /nfs/dbraw/zinc/12/17/64/1039121764.db2.gz ARAFMBJJVUBZAM-YADHBBJMSA-N 2 1 393.531 3.602 20 0 GHADMP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC001252928724 1039266058 /nfs/dbraw/zinc/26/60/58/1039266058.db2.gz BEFZGRRXIPLZGL-DNQXCXABSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC001252928724 1039266076 /nfs/dbraw/zinc/26/60/76/1039266076.db2.gz BEFZGRRXIPLZGL-DNQXCXABSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@H]2CCC[NH+]2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252928724 1039266091 /nfs/dbraw/zinc/26/60/91/1039266091.db2.gz BEFZGRRXIPLZGL-DNQXCXABSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@H]2CCC[NH+]2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252928724 1039266111 /nfs/dbraw/zinc/26/61/11/1039266111.db2.gz BEFZGRRXIPLZGL-DNQXCXABSA-N 2 1 380.532 3.859 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001252939388 1039283304 /nfs/dbraw/zinc/28/33/04/1039283304.db2.gz JXAYNTKXJACOBB-BHIFYINESA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001252939388 1039283307 /nfs/dbraw/zinc/28/33/07/1039283307.db2.gz JXAYNTKXJACOBB-BHIFYINESA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001252939388 1039283313 /nfs/dbraw/zinc/28/33/13/1039283313.db2.gz JXAYNTKXJACOBB-BHIFYINESA-N 2 1 398.595 3.555 20 0 GHADMP O[C@@]1(C[NH2+]CCSCc2ccccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252943275 1039287416 /nfs/dbraw/zinc/28/74/16/1039287416.db2.gz DHILJTQAGGEIDM-OAQYLSRUSA-N 2 1 390.980 3.800 20 0 GHADMP O[C@@]1(C[NH2+]CCSCc2ccccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943275 1039287436 /nfs/dbraw/zinc/28/74/36/1039287436.db2.gz DHILJTQAGGEIDM-OAQYLSRUSA-N 2 1 390.980 3.800 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3cccc(F)c3)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951318 1039295881 /nfs/dbraw/zinc/29/58/81/1039295881.db2.gz RHCGHLZECKCFPI-DEOSSOPVSA-N 2 1 382.523 3.765 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3cccc(F)c3)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951318 1039295896 /nfs/dbraw/zinc/29/58/96/1039295896.db2.gz RHCGHLZECKCFPI-DEOSSOPVSA-N 2 1 382.523 3.765 20 0 GHADMP O[C@@H](C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(c1ccccc1)c1ccccc1 ZINC001253937781 1039914485 /nfs/dbraw/zinc/91/44/85/1039914485.db2.gz VZDINFZHBOVDFH-ZJMAKVHZSA-N 2 1 398.550 3.899 20 0 GHADMP O[C@@H](C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(c1ccccc1)c1ccccc1 ZINC001253937781 1039914486 /nfs/dbraw/zinc/91/44/86/1039914486.db2.gz VZDINFZHBOVDFH-ZJMAKVHZSA-N 2 1 398.550 3.899 20 0 GHADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001234240311 1039935232 /nfs/dbraw/zinc/93/52/32/1039935232.db2.gz GGSSCQJMTDOOPT-AEFFLSMTSA-N 2 1 387.499 3.895 20 0 GHADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001234240311 1039935234 /nfs/dbraw/zinc/93/52/34/1039935234.db2.gz GGSSCQJMTDOOPT-AEFFLSMTSA-N 2 1 387.499 3.895 20 0 GHADMP CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001234396336 1040002137 /nfs/dbraw/zinc/00/21/37/1040002137.db2.gz JTXKRNPDKNLUDN-RBBKRZOGSA-N 2 1 388.600 3.851 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC001462440825 1070254739 /nfs/dbraw/zinc/25/47/39/1070254739.db2.gz RNEUUXTWRGIOOE-LSTHTHJFSA-N 2 1 394.401 3.906 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254304071 1040154865 /nfs/dbraw/zinc/15/48/65/1040154865.db2.gz LBMMEHGAYIZJCM-GOSISDBHSA-N 2 1 388.556 3.718 20 0 GHADMP CN1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC001462440823 1070255112 /nfs/dbraw/zinc/25/51/12/1070255112.db2.gz RNEUUXTWRGIOOE-AHRSYUTCSA-N 2 1 394.401 3.906 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254510980 1040290502 /nfs/dbraw/zinc/29/05/02/1040290502.db2.gz SPLBUDDORFJQCF-YHEJKZAPSA-N 2 1 399.535 3.529 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254510980 1040290519 /nfs/dbraw/zinc/29/05/19/1040290519.db2.gz SPLBUDDORFJQCF-YHEJKZAPSA-N 2 1 399.535 3.529 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C)CC1 ZINC001254532785 1040304522 /nfs/dbraw/zinc/30/45/22/1040304522.db2.gz WVMIHQFZVWPXFQ-QHAWAJNXSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254532785 1040304535 /nfs/dbraw/zinc/30/45/35/1040304535.db2.gz WVMIHQFZVWPXFQ-QHAWAJNXSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254532785 1040304546 /nfs/dbraw/zinc/30/45/46/1040304546.db2.gz WVMIHQFZVWPXFQ-QHAWAJNXSA-N 2 1 376.516 3.844 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254618929 1040390140 /nfs/dbraw/zinc/39/01/40/1040390140.db2.gz HJQLRKDJXRDDOI-AQYVVDRMSA-N 2 1 382.527 3.962 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234988733 1040485504 /nfs/dbraw/zinc/48/55/04/1040485504.db2.gz QVTISCIZXYWYLW-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001234992186 1040488124 /nfs/dbraw/zinc/48/81/24/1040488124.db2.gz XTZSDUKJLPZBDA-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254730197 1040488488 /nfs/dbraw/zinc/48/84/88/1040488488.db2.gz AXNUIYAYDIKCOP-RBUKOAKNSA-N 2 1 379.589 3.878 20 0 GHADMP CCCCN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001235000755 1040494840 /nfs/dbraw/zinc/49/48/40/1040494840.db2.gz GIFYFKAZDKRUHH-QPPBQGQZSA-N 2 1 379.548 3.639 20 0 GHADMP CCCCN(c1ccccc1)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001235000755 1040494846 /nfs/dbraw/zinc/49/48/46/1040494846.db2.gz GIFYFKAZDKRUHH-QPPBQGQZSA-N 2 1 379.548 3.639 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001235034483 1040527128 /nfs/dbraw/zinc/52/71/28/1040527128.db2.gz ZKEXKFALUYLGHL-IBGZPJMESA-N 2 1 377.410 3.833 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001235034483 1040527143 /nfs/dbraw/zinc/52/71/43/1040527143.db2.gz ZKEXKFALUYLGHL-IBGZPJMESA-N 2 1 377.410 3.833 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(-n3cnc4ccccc43)cc1)C2 ZINC001235088726 1040578192 /nfs/dbraw/zinc/57/81/92/1040578192.db2.gz OOUYZLGGYRUNNU-NRFANRHFSA-N 2 1 382.458 3.846 20 0 GHADMP Brc1cc(Br)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235094006 1040583088 /nfs/dbraw/zinc/58/30/88/1040583088.db2.gz VRECTONEEXZIGV-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP Brc1cc(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235094006 1040583097 /nfs/dbraw/zinc/58/30/97/1040583097.db2.gz VRECTONEEXZIGV-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)cc1O ZINC001235163055 1040655159 /nfs/dbraw/zinc/65/51/59/1040655159.db2.gz ZJZFDZYZUSEZRW-INIZCTEOSA-N 2 1 383.330 3.517 20 0 GHADMP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235200581 1040688046 /nfs/dbraw/zinc/68/80/46/1040688046.db2.gz NWOCCEXWVQPERZ-QFIPXVFZSA-N 2 1 382.529 3.635 20 0 GHADMP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235200581 1040688053 /nfs/dbraw/zinc/68/80/53/1040688053.db2.gz NWOCCEXWVQPERZ-QFIPXVFZSA-N 2 1 382.529 3.635 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001235216539 1040697949 /nfs/dbraw/zinc/69/79/49/1040697949.db2.gz QKBAPAZRNPIZBR-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP CC1([NH3+])CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255074814 1040766361 /nfs/dbraw/zinc/76/63/61/1040766361.db2.gz DPLASRCIEGSWMZ-VDKIKQQVSA-N 2 1 375.560 3.784 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C(N)=O ZINC001255073674 1040767672 /nfs/dbraw/zinc/76/76/72/1040767672.db2.gz PMCIOXLMRWZUOU-LYGMZBLVSA-N 2 1 391.559 3.605 20 0 GHADMP Brc1csc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1Br ZINC001235336924 1040806388 /nfs/dbraw/zinc/80/63/88/1040806388.db2.gz DPLYCOSINQVQBB-UHFFFAOYSA-N 2 1 394.176 3.705 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255122627 1040813576 /nfs/dbraw/zinc/81/35/76/1040813576.db2.gz SUYVEWMFSWVJAC-ODAXIHTASA-N 2 1 391.559 3.511 20 0 GHADMP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001255126776 1040821115 /nfs/dbraw/zinc/82/11/15/1040821115.db2.gz PDACFGAVUOMJFC-DKUWSORSSA-N 2 1 381.495 3.940 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2(Cc4ccccn4)CCOCC2)C3)cc1 ZINC001255131041 1040825024 /nfs/dbraw/zinc/82/50/24/1040825024.db2.gz LVSZZHKQUYPUNQ-JOZNFPNDSA-N 2 1 391.559 3.959 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349646 1040827728 /nfs/dbraw/zinc/82/77/28/1040827728.db2.gz SMNAPPBBIAYXSN-SNYIIPAISA-N 2 1 378.516 3.673 20 0 GHADMP c1nc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1Cc1ccncc1 ZINC001255133031 1040830729 /nfs/dbraw/zinc/83/07/29/1040830729.db2.gz OMGVWRTUAJGSAC-ULPXVVAUSA-N 2 1 387.531 3.612 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(-c4cccs4)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235353112 1040831224 /nfs/dbraw/zinc/83/12/24/1040831224.db2.gz VBZFKYGEXKLGNI-UGKGYDQZSA-N 2 1 384.545 3.780 20 0 GHADMP C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137802 1040842959 /nfs/dbraw/zinc/84/29/59/1040842959.db2.gz XWRHNGXVXYQXLD-PKOFMYQESA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137802 1040842968 /nfs/dbraw/zinc/84/29/68/1040842968.db2.gz XWRHNGXVXYQXLD-PKOFMYQESA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137802 1040842975 /nfs/dbraw/zinc/84/29/75/1040842975.db2.gz XWRHNGXVXYQXLD-PKOFMYQESA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137802 1040842986 /nfs/dbraw/zinc/84/29/86/1040842986.db2.gz XWRHNGXVXYQXLD-PKOFMYQESA-N 2 1 382.470 3.817 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2CCC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843739 /nfs/dbraw/zinc/84/37/39/1040843739.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](N2CCC[N@H+](Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843750 /nfs/dbraw/zinc/84/37/50/1040843750.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](N2CCC[N@@H+](Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843765 /nfs/dbraw/zinc/84/37/65/1040843765.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843777 /nfs/dbraw/zinc/84/37/77/1040843777.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843801 /nfs/dbraw/zinc/84/38/01/1040843801.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843816 /nfs/dbraw/zinc/84/38/16/1040843816.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137904 1040843833 /nfs/dbraw/zinc/84/38/33/1040843833.db2.gz ZAUKMBUDYANUPX-QEIWAGNOSA-N 2 1 390.575 3.785 20 0 GHADMP O=C1CC[C@H]2[C@H](CC[N@H+]2[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)N1CC1CC1 ZINC001255141341 1040847491 /nfs/dbraw/zinc/84/74/91/1040847491.db2.gz UZKLSRLTNRJSNH-HTUFRPJOSA-N 2 1 393.575 3.657 20 0 GHADMP COC[C@H]1COCCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255141178 1040849030 /nfs/dbraw/zinc/84/90/30/1040849030.db2.gz AGTDNWPOBZNTPC-XQUALCHDSA-N 2 1 398.591 3.947 20 0 GHADMP COC[C@H]1COCCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255141178 1040849057 /nfs/dbraw/zinc/84/90/57/1040849057.db2.gz AGTDNWPOBZNTPC-XQUALCHDSA-N 2 1 398.591 3.947 20 0 GHADMP COC[C@H]1COCCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255141178 1040849069 /nfs/dbraw/zinc/84/90/69/1040849069.db2.gz AGTDNWPOBZNTPC-XQUALCHDSA-N 2 1 398.591 3.947 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255149110 1040864483 /nfs/dbraw/zinc/86/44/83/1040864483.db2.gz FILDKURHFGJXKG-KOUNCHBCSA-N 2 1 392.547 3.824 20 0 GHADMP CC(C)C(=O)N(C)C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255151218 1040872828 /nfs/dbraw/zinc/87/28/28/1040872828.db2.gz UCEZGEXGYFIQKB-JKHIJQBDSA-N 2 1 383.580 3.761 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235370729 1040874910 /nfs/dbraw/zinc/87/49/10/1040874910.db2.gz OZGHOXVBWZUJIQ-UKILVPOCSA-N 2 1 394.559 3.855 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151780 1040876140 /nfs/dbraw/zinc/87/61/40/1040876140.db2.gz YGQVVNLSQVPNQQ-HOUBMWHVSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151780 1040876157 /nfs/dbraw/zinc/87/61/57/1040876157.db2.gz YGQVVNLSQVPNQQ-HOUBMWHVSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151780 1040876178 /nfs/dbraw/zinc/87/61/78/1040876178.db2.gz YGQVVNLSQVPNQQ-HOUBMWHVSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151780 1040876184 /nfs/dbraw/zinc/87/61/84/1040876184.db2.gz YGQVVNLSQVPNQQ-HOUBMWHVSA-N 2 1 390.527 3.954 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235376213 1040886737 /nfs/dbraw/zinc/88/67/37/1040886737.db2.gz AOIDWBKVDVRYRZ-GGAORHGYSA-N 2 1 394.469 3.934 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001235376213 1040886759 /nfs/dbraw/zinc/88/67/59/1040886759.db2.gz AOIDWBKVDVRYRZ-GGAORHGYSA-N 2 1 394.469 3.934 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377613 1040893834 /nfs/dbraw/zinc/89/38/34/1040893834.db2.gz WWYCUMDCJZNCDU-VWLOTQADSA-N 2 1 394.559 3.773 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377613 1040893847 /nfs/dbraw/zinc/89/38/47/1040893847.db2.gz WWYCUMDCJZNCDU-VWLOTQADSA-N 2 1 394.559 3.773 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377613 1040893874 /nfs/dbraw/zinc/89/38/74/1040893874.db2.gz WWYCUMDCJZNCDU-VWLOTQADSA-N 2 1 394.559 3.773 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377613 1040893908 /nfs/dbraw/zinc/89/39/08/1040893908.db2.gz WWYCUMDCJZNCDU-VWLOTQADSA-N 2 1 394.559 3.773 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212489 1040908573 /nfs/dbraw/zinc/90/85/73/1040908573.db2.gz KOSHQHUNTVTLNW-JFDBCFPISA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212489 1040908586 /nfs/dbraw/zinc/90/85/86/1040908586.db2.gz KOSHQHUNTVTLNW-JFDBCFPISA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212489 1040908587 /nfs/dbraw/zinc/90/85/87/1040908587.db2.gz KOSHQHUNTVTLNW-JFDBCFPISA-N 2 1 397.563 3.592 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235401047 1040914435 /nfs/dbraw/zinc/91/44/35/1040914435.db2.gz FWVZCFCOGXBUEL-QZTJIDSGSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235401047 1040914443 /nfs/dbraw/zinc/91/44/43/1040914443.db2.gz FWVZCFCOGXBUEL-QZTJIDSGSA-N 2 1 378.289 3.521 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001255223886 1040915131 /nfs/dbraw/zinc/91/51/31/1040915131.db2.gz BXRUPODJCFJBJT-LPIPBFEGSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001255223886 1040915132 /nfs/dbraw/zinc/91/51/32/1040915132.db2.gz BXRUPODJCFJBJT-LPIPBFEGSA-N 2 1 397.563 3.637 20 0 GHADMP C[N@H+](Cc1c(Cl)ccc(I)c1F)CC1CC[NH2+]CC1 ZINC001235432662 1040933367 /nfs/dbraw/zinc/93/33/67/1040933367.db2.gz QEQVZWIVXHABBS-UHFFFAOYSA-N 2 1 396.675 3.515 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC001255383978 1040973503 /nfs/dbraw/zinc/97/35/03/1040973503.db2.gz QTAZGPLMERYBLR-HSZRJFAPSA-N 2 1 379.548 3.668 20 0 GHADMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001235533124 1040978187 /nfs/dbraw/zinc/97/81/87/1040978187.db2.gz RQCNDOMMWIFQJL-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccc(N4CC[NH2+]CC4)c2)C3)cc1 ZINC001235533775 1040978553 /nfs/dbraw/zinc/97/85/53/1040978553.db2.gz VJVGGHPDDSTOCL-UKILVPOCSA-N 2 1 391.559 3.635 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccc4c(c2)C[NH2+]CC4)CCO3)c1 ZINC001235537626 1040980410 /nfs/dbraw/zinc/98/04/10/1040980410.db2.gz OAECTNQIKNGHHU-VWLOTQADSA-N 2 1 391.559 3.512 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)CCO3)c1 ZINC001235537626 1040980414 /nfs/dbraw/zinc/98/04/14/1040980414.db2.gz OAECTNQIKNGHHU-VWLOTQADSA-N 2 1 391.559 3.512 20 0 GHADMP O=C1CCC2(CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)N1CC1CC1 ZINC001255402885 1040989612 /nfs/dbraw/zinc/98/96/12/1040989612.db2.gz PRBOOGYIJRQMJT-HSZRJFAPSA-N 2 1 395.591 3.908 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255405354 1040993119 /nfs/dbraw/zinc/99/31/19/1040993119.db2.gz WJFIUMHQDPYMEX-DEOSSOPVSA-N 2 1 393.575 3.868 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255405354 1040993120 /nfs/dbraw/zinc/99/31/20/1040993120.db2.gz WJFIUMHQDPYMEX-DEOSSOPVSA-N 2 1 393.575 3.868 20 0 GHADMP O=C1N(CC2CC2)CCC12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255410055 1041002006 /nfs/dbraw/zinc/00/20/06/1041002006.db2.gz QCACDASCCIMPFP-QHCPKHFHSA-N 2 1 395.591 3.766 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255410409 1041003115 /nfs/dbraw/zinc/00/31/15/1041003115.db2.gz WQNGIMDPJPLFBR-OAQYLSRUSA-N 2 1 380.536 3.683 20 0 GHADMP c1c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235593809 1041005637 /nfs/dbraw/zinc/00/56/37/1041005637.db2.gz MMWZIIYPUKXCCY-OIBXWCBGSA-N 2 1 379.548 3.772 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255413753 1041006976 /nfs/dbraw/zinc/00/69/76/1041006976.db2.gz NWYAGWVDJMTOCG-SMIHKQSGSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255413753 1041006998 /nfs/dbraw/zinc/00/69/98/1041006998.db2.gz NWYAGWVDJMTOCG-SMIHKQSGSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255413753 1041007018 /nfs/dbraw/zinc/00/70/18/1041007018.db2.gz NWYAGWVDJMTOCG-SMIHKQSGSA-N 2 1 392.543 3.930 20 0 GHADMP Cc1cc(OC(C)C)ncc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649351 1041092919 /nfs/dbraw/zinc/09/29/19/1041092919.db2.gz PJIQFKABWRPQII-UHFFFAOYSA-N 2 1 397.567 3.812 20 0 GHADMP Cc1cc(OC(C)C)ncc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235649351 1041092939 /nfs/dbraw/zinc/09/29/39/1041092939.db2.gz PJIQFKABWRPQII-UHFFFAOYSA-N 2 1 397.567 3.812 20 0 GHADMP CCOc1cc(OC)ccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235650653 1041094144 /nfs/dbraw/zinc/09/41/44/1041094144.db2.gz TUDHMLVQUVDANO-UHFFFAOYSA-N 2 1 398.551 3.729 20 0 GHADMP CCOc1cc(OC)ccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235650653 1041094156 /nfs/dbraw/zinc/09/41/56/1041094156.db2.gz TUDHMLVQUVDANO-UHFFFAOYSA-N 2 1 398.551 3.729 20 0 GHADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+](C3CCC4(CC3)OCCO4)CC2)cc1 ZINC001255630786 1041180768 /nfs/dbraw/zinc/18/07/68/1041180768.db2.gz QLZQDTJLQZHQNT-UHFFFAOYSA-N 2 1 398.469 3.945 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@H](C)CC(F)(F)F)CC3)C2)c1 ZINC001255652571 1041193293 /nfs/dbraw/zinc/19/32/93/1041193293.db2.gz UAMWQKOODXSJBL-MRXNPFEDSA-N 2 1 386.458 3.703 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@H](C)CC(F)(F)F)CC3)C2)c1 ZINC001255652571 1041193299 /nfs/dbraw/zinc/19/32/99/1041193299.db2.gz UAMWQKOODXSJBL-MRXNPFEDSA-N 2 1 386.458 3.703 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(OC(F)F)ccc1Br ZINC001235718307 1041202351 /nfs/dbraw/zinc/20/23/51/1041202351.db2.gz XJRZPJPUXWQHLU-UHFFFAOYSA-N 2 1 377.273 3.872 20 0 GHADMP COc1cc(NC(=O)[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc2ccccc21 ZINC001255676465 1041208138 /nfs/dbraw/zinc/20/81/38/1041208138.db2.gz MZCQTNBSDPCRQQ-FAXKSRBJSA-N 2 1 381.520 3.780 20 0 GHADMP COc1cc(NC(=O)[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc2ccccc21 ZINC001255676465 1041208153 /nfs/dbraw/zinc/20/81/53/1041208153.db2.gz MZCQTNBSDPCRQQ-FAXKSRBJSA-N 2 1 381.520 3.780 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[NH+](C4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)sc1C ZINC001255677990 1041210234 /nfs/dbraw/zinc/21/02/34/1041210234.db2.gz SUXWSSOIARIJPF-SDHGOZRASA-N 2 1 375.582 3.927 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+](C4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)sc1C ZINC001255677990 1041210249 /nfs/dbraw/zinc/21/02/49/1041210249.db2.gz SUXWSSOIARIJPF-SDHGOZRASA-N 2 1 375.582 3.927 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+](C4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)sc1C ZINC001255677990 1041210268 /nfs/dbraw/zinc/21/02/68/1041210268.db2.gz SUXWSSOIARIJPF-SDHGOZRASA-N 2 1 375.582 3.927 20 0 GHADMP CCC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255685385 1041215901 /nfs/dbraw/zinc/21/59/01/1041215901.db2.gz OOCFQRKHYSZOGB-GURQWTFNSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255685385 1041215922 /nfs/dbraw/zinc/21/59/22/1041215922.db2.gz OOCFQRKHYSZOGB-GURQWTFNSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255685385 1041215942 /nfs/dbraw/zinc/21/59/42/1041215942.db2.gz OOCFQRKHYSZOGB-GURQWTFNSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255685385 1041215965 /nfs/dbraw/zinc/21/59/65/1041215965.db2.gz OOCFQRKHYSZOGB-GURQWTFNSA-N 2 1 379.589 3.971 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001255735769 1041255839 /nfs/dbraw/zinc/25/58/39/1041255839.db2.gz NBQLJNNKXCPKDK-KPLVRAHFSA-N 2 1 388.552 3.779 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001255735769 1041255856 /nfs/dbraw/zinc/25/58/56/1041255856.db2.gz NBQLJNNKXCPKDK-KPLVRAHFSA-N 2 1 388.552 3.779 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255740835 1041259126 /nfs/dbraw/zinc/25/91/26/1041259126.db2.gz CSELDOHLMUXIMV-ZWCUEREDSA-N 2 1 392.584 3.987 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255740835 1041259142 /nfs/dbraw/zinc/25/91/42/1041259142.db2.gz CSELDOHLMUXIMV-ZWCUEREDSA-N 2 1 392.584 3.987 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255740835 1041259162 /nfs/dbraw/zinc/25/91/62/1041259162.db2.gz CSELDOHLMUXIMV-ZWCUEREDSA-N 2 1 392.584 3.987 20 0 GHADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001255757604 1041274570 /nfs/dbraw/zinc/27/45/70/1041274570.db2.gz YCLXPUDTGNRRBJ-WPYKKVEZSA-N 2 1 384.589 3.948 20 0 GHADMP Cc1ccc(SC[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001255757604 1041274580 /nfs/dbraw/zinc/27/45/80/1041274580.db2.gz YCLXPUDTGNRRBJ-WPYKKVEZSA-N 2 1 384.589 3.948 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001235872329 1041406048 /nfs/dbraw/zinc/40/60/48/1041406048.db2.gz RLUUONXDKUODCY-YADHBBJMSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001235872329 1041406061 /nfs/dbraw/zinc/40/60/61/1041406061.db2.gz RLUUONXDKUODCY-YADHBBJMSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001235872329 1041406071 /nfs/dbraw/zinc/40/60/71/1041406071.db2.gz RLUUONXDKUODCY-YADHBBJMSA-N 2 1 393.531 3.602 20 0 GHADMP Cc1ccc(-c2noc(C3CC[NH+](C[C@@H]4[C@@H](C)C[NH2+]CC4(F)F)CC3)n2)cc1 ZINC001235934813 1041437962 /nfs/dbraw/zinc/43/79/62/1041437962.db2.gz NWIKGFKBXOCQSZ-MAUKXSAKSA-N 2 1 390.478 3.715 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001255962345 1041441130 /nfs/dbraw/zinc/44/11/30/1041441130.db2.gz IISKAAIYTWULDG-FQEVSTJZSA-N 2 1 386.584 3.520 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001255962166 1041442487 /nfs/dbraw/zinc/44/24/87/1041442487.db2.gz HDUGJTCUCAHPPX-PMVMPFDFSA-N 2 1 389.584 3.590 20 0 GHADMP COCC[N@H+](Cc1ccc(C(F)(F)F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235947263 1041453955 /nfs/dbraw/zinc/45/39/55/1041453955.db2.gz ZOUGJYDJBQZZND-UHFFFAOYSA-N 2 1 384.364 3.925 20 0 GHADMP COCC[N@@H+](Cc1ccc(C(F)(F)F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC001235947263 1041453960 /nfs/dbraw/zinc/45/39/60/1041453960.db2.gz ZOUGJYDJBQZZND-UHFFFAOYSA-N 2 1 384.364 3.925 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001235950055 1041453981 /nfs/dbraw/zinc/45/39/81/1041453981.db2.gz ZFRIQGJKKOJFIK-HXUWFJFHSA-N 2 1 386.337 3.806 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001235950055 1041453997 /nfs/dbraw/zinc/45/39/97/1041453997.db2.gz ZFRIQGJKKOJFIK-HXUWFJFHSA-N 2 1 386.337 3.806 20 0 GHADMP C[N@@H+](Cc1ccc(Oc2ccccc2)cc1)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001235949727 1041454317 /nfs/dbraw/zinc/45/43/17/1041454317.db2.gz GQSALMWZMJYDFY-UHFFFAOYSA-N 2 1 389.499 3.799 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1Cc3ccccc3C3(CC[NH2+]CC3)C1)cn2C ZINC001235975583 1041479644 /nfs/dbraw/zinc/47/96/44/1041479644.db2.gz XWPVIOREFBPEQZ-UHFFFAOYSA-N 2 1 375.516 3.824 20 0 GHADMP Oc1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(OC(F)(F)F)c1 ZINC001235979231 1041483917 /nfs/dbraw/zinc/48/39/17/1041483917.db2.gz WNVYURWIKPZSEV-UHFFFAOYSA-N 2 1 392.421 3.928 20 0 GHADMP Oc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(OC(F)(F)F)c1 ZINC001235979231 1041483923 /nfs/dbraw/zinc/48/39/23/1041483923.db2.gz WNVYURWIKPZSEV-UHFFFAOYSA-N 2 1 392.421 3.928 20 0 GHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2CCN(c3ncccn3)CC2)CC1 ZINC001256064565 1041503431 /nfs/dbraw/zinc/50/34/31/1041503431.db2.gz LDGMGJDBMJYBMC-UHFFFAOYSA-N 2 1 399.970 3.695 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+](C2CCN(c3ncccn3)CC2)CC1 ZINC001256064565 1041503445 /nfs/dbraw/zinc/50/34/45/1041503445.db2.gz LDGMGJDBMJYBMC-UHFFFAOYSA-N 2 1 399.970 3.695 20 0 GHADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001256074394 1041508352 /nfs/dbraw/zinc/50/83/52/1041508352.db2.gz WRRILCVWLOLHSG-DEOSSOPVSA-N 2 1 380.532 3.690 20 0 GHADMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C(F)(F)F)o3)C2)C1 ZINC001236077812 1041524268 /nfs/dbraw/zinc/52/42/68/1041524268.db2.gz DBAXWJWNAFUTHV-MRXNPFEDSA-N 2 1 393.453 3.820 20 0 GHADMP FC(F)(F)c1cccc(CN2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c1 ZINC001236143494 1041567730 /nfs/dbraw/zinc/56/77/30/1041567730.db2.gz HGWIEGYOYQEVFB-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCN1c1cc[nH+]cc1 ZINC001462551579 1070353716 /nfs/dbraw/zinc/35/37/16/1070353716.db2.gz WASUJKXPFYQKRE-CQSZACIVSA-N 2 1 383.389 3.873 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCN1c1cc[nH+]cc1 ZINC001462551579 1070353731 /nfs/dbraw/zinc/35/37/31/1070353731.db2.gz WASUJKXPFYQKRE-CQSZACIVSA-N 2 1 383.389 3.873 20 0 GHADMP C[C@@H](Cc1cccc(Br)c1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001256179890 1041625149 /nfs/dbraw/zinc/62/51/49/1041625149.db2.gz XMQMRYHGFOVEHE-INIZCTEOSA-N 2 1 388.353 3.811 20 0 GHADMP COc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC001236227844 1041633822 /nfs/dbraw/zinc/63/38/22/1041633822.db2.gz NNMGFAWNIDFUIA-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP COc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC001236227844 1041633835 /nfs/dbraw/zinc/63/38/35/1041633835.db2.gz NNMGFAWNIDFUIA-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP CN1CCC([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201288 1041646525 /nfs/dbraw/zinc/64/65/25/1041646525.db2.gz CBUBBBNNIRFVKB-IYARVYRRSA-N 2 1 380.374 3.615 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236276034 1041652481 /nfs/dbraw/zinc/65/24/81/1041652481.db2.gz RXMSELUKEPRTIW-LULLPPNCSA-N 2 1 380.479 3.636 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1C[C@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001236276034 1041652485 /nfs/dbraw/zinc/65/24/85/1041652485.db2.gz RXMSELUKEPRTIW-LULLPPNCSA-N 2 1 380.479 3.636 20 0 GHADMP Brc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Br ZINC001236322147 1041670533 /nfs/dbraw/zinc/67/05/33/1041670533.db2.gz RBXQNPXNBNBROH-TXEJJXNPSA-N 2 1 388.147 3.643 20 0 GHADMP COc1ncc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1Br ZINC001236376063 1041687119 /nfs/dbraw/zinc/68/71/19/1041687119.db2.gz OPQVMTRVCHOEQL-CQSZACIVSA-N 2 1 382.346 3.597 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]c3cccc(OC)c23)C2CC[NH2+]CC2)cc1 ZINC001236445986 1041715928 /nfs/dbraw/zinc/71/59/28/1041715928.db2.gz IHKSCUIJYCTUQL-UHFFFAOYSA-N 2 1 379.504 3.939 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3cccc(OC)c23)C2CC[NH2+]CC2)cc1 ZINC001236445986 1041715934 /nfs/dbraw/zinc/71/59/34/1041715934.db2.gz IHKSCUIJYCTUQL-UHFFFAOYSA-N 2 1 379.504 3.939 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]c(=O)c3ccccc23)C2CC[NH2+]CC2)cc1 ZINC001236446763 1041716027 /nfs/dbraw/zinc/71/60/27/1041716027.db2.gz OVEXIWVJUYXYLI-UHFFFAOYSA-N 2 1 377.488 3.703 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C2CC[NH2+]CC2)cc1 ZINC001236446763 1041716032 /nfs/dbraw/zinc/71/60/32/1041716032.db2.gz OVEXIWVJUYXYLI-UHFFFAOYSA-N 2 1 377.488 3.703 20 0 GHADMP Clc1ccc(C[N@H+](C[C@H]2COC3(CCCCC3)O2)C2CC[NH2+]CC2)cc1 ZINC001236453020 1041718842 /nfs/dbraw/zinc/71/88/42/1041718842.db2.gz MWDOIPGPKPAODU-FQEVSTJZSA-N 2 1 378.944 3.970 20 0 GHADMP Clc1ccc(C[N@@H+](C[C@H]2COC3(CCCCC3)O2)C2CC[NH2+]CC2)cc1 ZINC001236453020 1041718849 /nfs/dbraw/zinc/71/88/49/1041718849.db2.gz MWDOIPGPKPAODU-FQEVSTJZSA-N 2 1 378.944 3.970 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1c[nH]c2nccc(Br)c12)C1CC[NH2+]CC1 ZINC001236457642 1041721364 /nfs/dbraw/zinc/72/13/64/1041721364.db2.gz PDNVINKMSXTRSN-UHFFFAOYSA-N 2 1 379.346 3.926 20 0 GHADMP CC(C)(C)C[N@H+](Cc1cnc2c(Br)cccn12)C1CC[NH2+]CC1 ZINC001236458920 1041721682 /nfs/dbraw/zinc/72/16/82/1041721682.db2.gz DFZWWJJSJCJACM-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cnc2c(Br)cccn12)C1CC[NH2+]CC1 ZINC001236458920 1041721686 /nfs/dbraw/zinc/72/16/86/1041721686.db2.gz DFZWWJJSJCJACM-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCCc2ccc(OC)cc2)C2CC[NH2+]CC2)c1 ZINC001236464557 1041726299 /nfs/dbraw/zinc/72/62/99/1041726299.db2.gz HFDUAZBWNUYPTO-UHFFFAOYSA-N 2 1 396.531 3.669 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2c[nH]c3c2cccc3F)C2CC[NH2+]CC2)c1 ZINC001236464712 1041726515 /nfs/dbraw/zinc/72/65/15/1041726515.db2.gz JVJSWCCKGASWFX-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2c[nH]c3c2cccc3F)C2CC[NH2+]CC2)c1 ZINC001236464712 1041726520 /nfs/dbraw/zinc/72/65/20/1041726520.db2.gz JVJSWCCKGASWFX-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COc1ccc(NC(=O)NC2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)cc1 ZINC001236465463 1041727033 /nfs/dbraw/zinc/72/70/33/1041727033.db2.gz QOFYFPJNQQAPGT-UHFFFAOYSA-N 2 1 388.556 3.594 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccsc2I)CC2CC2)CC1 ZINC001236553946 1041760327 /nfs/dbraw/zinc/76/03/27/1041760327.db2.gz VIKLACQIJWZHTL-HDJSIYSDSA-N 2 1 390.334 3.835 20 0 GHADMP COC(OC)c1c(C[NH3+])ccnc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001236471392 1041730271 /nfs/dbraw/zinc/73/02/71/1041730271.db2.gz CHKMEWWRLLEWAG-UXHICEINSA-N 2 1 379.504 3.652 20 0 GHADMP Fc1cc(C[N@@H+](CCCn2cccn2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001236490583 1041737629 /nfs/dbraw/zinc/73/76/29/1041737629.db2.gz GWZQCSCAOVDRLK-UHFFFAOYSA-N 2 1 384.421 3.685 20 0 GHADMP COc1c(C)c[nH+]c(CN(Cc2c(F)cccc2F)C2CC[NH2+]CC2)c1C ZINC001236514669 1041748291 /nfs/dbraw/zinc/74/82/91/1041748291.db2.gz BQSDLLNXXGGXOL-UHFFFAOYSA-N 2 1 375.463 3.739 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](C)OCc2ccccc2)C2CC[NH2+]CC2)cc1F ZINC001236517058 1041749844 /nfs/dbraw/zinc/74/98/44/1041749844.db2.gz OXZFJPCOYWHEER-SFHVURJKSA-N 2 1 386.511 3.994 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](C)OCc2ccccc2)C2CC[NH2+]CC2)cc1F ZINC001236517058 1041749848 /nfs/dbraw/zinc/74/98/48/1041749848.db2.gz OXZFJPCOYWHEER-SFHVURJKSA-N 2 1 386.511 3.994 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001256472476 1041750750 /nfs/dbraw/zinc/75/07/50/1041750750.db2.gz CXIMAFZEDBFBSM-FUHWJXTLSA-N 2 1 388.556 3.717 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C2CC[NH2+]CC2)cc1F ZINC001236517309 1041750783 /nfs/dbraw/zinc/75/07/83/1041750783.db2.gz STLBASNJUSYXDC-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C2CC[NH2+]CC2)cc1F ZINC001236517309 1041750790 /nfs/dbraw/zinc/75/07/90/1041750790.db2.gz STLBASNJUSYXDC-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2c3c(ccc2Br)OCO3)CC2CC2)CC1 ZINC001236554220 1041760782 /nfs/dbraw/zinc/76/07/82/1041760782.db2.gz XGDGMWDUXGRAHQ-HDJSIYSDSA-N 2 1 381.314 3.660 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236561738 1041763543 /nfs/dbraw/zinc/76/35/43/1041763543.db2.gz LFNLFLPLULAFFT-QAQDUYKDSA-N 2 1 394.441 3.835 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1Br ZINC001236577086 1041767799 /nfs/dbraw/zinc/76/77/99/1041767799.db2.gz SBNBGUMGEAYGFX-KOMQPUFPSA-N 2 1 395.341 3.860 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236673071 1041820436 /nfs/dbraw/zinc/82/04/36/1041820436.db2.gz ZXVQASIXTWGBRN-JCNLHEQBSA-N 2 1 394.441 3.835 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236681942 1041828028 /nfs/dbraw/zinc/82/80/28/1041828028.db2.gz LWUJSDPBRWSKQD-MEMLXQNLSA-N 2 1 382.504 3.754 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cnc2ccc(Cl)nn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709165 1041845852 /nfs/dbraw/zinc/84/58/52/1041845852.db2.gz FJQSDGMJOWFDEJ-QAQDUYKDSA-N 2 1 399.926 3.663 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CCC3(CC2)OCCO3)CC1 ZINC001236742739 1041868750 /nfs/dbraw/zinc/86/87/50/1041868750.db2.gz PWJYNXRDZXKPGO-MEMLXQNLSA-N 2 1 376.516 3.831 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001236794003 1041897948 /nfs/dbraw/zinc/89/79/48/1041897948.db2.gz VNZHZBBUSMCPEA-SFTDATJTSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001236794003 1041897952 /nfs/dbraw/zinc/89/79/52/1041897952.db2.gz VNZHZBBUSMCPEA-SFTDATJTSA-N 2 1 396.506 3.956 20 0 GHADMP CC[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001236886597 1041940547 /nfs/dbraw/zinc/94/05/47/1041940547.db2.gz FUKIOKVUHKNZNM-FQEVSTJZSA-N 2 1 381.564 3.900 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc(F)c(N4CCCC4)c3)C2)C1 ZINC001237099114 1042034476 /nfs/dbraw/zinc/03/44/76/1042034476.db2.gz PTUQRBWAMNESRD-HSZRJFAPSA-N 2 1 389.559 3.749 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1CN1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001237192032 1042087055 /nfs/dbraw/zinc/08/70/55/1042087055.db2.gz RSCWXUMYMUKVJX-VXGBXAGGSA-N 2 1 396.284 3.745 20 0 GHADMP FC(F)(F)c1cnccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001237284912 1042123968 /nfs/dbraw/zinc/12/39/68/1042123968.db2.gz HQAGHTRIGNHYEZ-UHFFFAOYSA-N 2 1 395.425 3.560 20 0 GHADMP FC(F)(F)c1cnccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001237284912 1042123970 /nfs/dbraw/zinc/12/39/70/1042123970.db2.gz HQAGHTRIGNHYEZ-UHFFFAOYSA-N 2 1 395.425 3.560 20 0 GHADMP Clc1ccccc1N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001237412771 1042197217 /nfs/dbraw/zinc/19/72/17/1042197217.db2.gz UQHBZNKBCJRDND-OALUTQOASA-N 2 1 392.934 3.861 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c3cccnc13)C2 ZINC001237425486 1042202129 /nfs/dbraw/zinc/20/21/29/1042202129.db2.gz MOJAYGINHJCQMP-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c3cccnc13)C2 ZINC001237425486 1042202133 /nfs/dbraw/zinc/20/21/33/1042202133.db2.gz MOJAYGINHJCQMP-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)c3cccnc13)C2 ZINC001237425486 1042202137 /nfs/dbraw/zinc/20/21/37/1042202137.db2.gz MOJAYGINHJCQMP-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)c3cccnc13)C2 ZINC001237425486 1042202141 /nfs/dbraw/zinc/20/21/41/1042202141.db2.gz MOJAYGINHJCQMP-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2c(OC(C)C)ccc3ccccc32)CCC12C[NH2+]C2 ZINC001237430100 1042205312 /nfs/dbraw/zinc/20/53/12/1042205312.db2.gz IQMNOCSBVQWYHL-NRFANRHFSA-N 2 1 396.531 3.602 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001237476759 1042225299 /nfs/dbraw/zinc/22/52/99/1042225299.db2.gz CUWPGGWVPGAKNF-HSZRJFAPSA-N 2 1 380.532 3.746 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@]4(C3)c3ccccc3N(C)C4=O)cc21 ZINC001237880165 1042407374 /nfs/dbraw/zinc/40/73/74/1042407374.db2.gz GENQPXQWLMWDPO-RUZDIDTESA-N 2 1 387.527 3.808 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(O)ccc4C)CC3)C2)c1 ZINC001238094292 1042490220 /nfs/dbraw/zinc/49/02/20/1042490220.db2.gz XJJNMZYGVCBRQH-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(O)ccc4C)CC3)C2)c1 ZINC001238094292 1042490221 /nfs/dbraw/zinc/49/02/21/1042490221.db2.gz XJJNMZYGVCBRQH-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001278215813 1042551037 /nfs/dbraw/zinc/55/10/37/1042551037.db2.gz HJQKCPYYBCULHO-FQEVSTJZSA-N 2 1 384.395 3.885 20 0 GHADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)OC1CCCCC1 ZINC001239318084 1042807961 /nfs/dbraw/zinc/80/79/61/1042807961.db2.gz KWZJXUSGNFUYAD-HXUWFJFHSA-N 2 1 385.552 3.547 20 0 GHADMP Cc1cc(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cnc1N1CC[NH2+]CC1 ZINC001239738705 1042848033 /nfs/dbraw/zinc/84/80/33/1042848033.db2.gz HHSHHJRJDROOFK-UHFFFAOYSA-N 2 1 384.527 3.982 20 0 GHADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)c1Cl ZINC001278308705 1042897639 /nfs/dbraw/zinc/89/76/39/1042897639.db2.gz QVKNRUXAVKHSHC-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)c1Cl ZINC001278308705 1042897645 /nfs/dbraw/zinc/89/76/45/1042897645.db2.gz QVKNRUXAVKHSHC-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)c1Cl ZINC001278308705 1042897650 /nfs/dbraw/zinc/89/76/50/1042897650.db2.gz QVKNRUXAVKHSHC-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP c1nc2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001240476872 1042934619 /nfs/dbraw/zinc/93/46/19/1042934619.db2.gz MIMHKHDFHGPZEF-JOCHJYFZSA-N 2 1 390.531 3.850 20 0 GHADMP c1nc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)cc2n1[C@H]1CCC[NH2+]CC1 ZINC001240476666 1042934738 /nfs/dbraw/zinc/93/47/38/1042934738.db2.gz GWUZNEVGWLQNBH-QFIPXVFZSA-N 2 1 390.531 3.850 20 0 GHADMP C[C@@H]1C[C@@H](n2cc(C[C@H]([NH3+])CO)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256522405 1043447648 /nfs/dbraw/zinc/44/76/48/1043447648.db2.gz GMBYQRBFOGBVSE-COPCDDAFSA-N 2 1 377.532 3.729 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256529250 1043458886 /nfs/dbraw/zinc/45/88/86/1043458886.db2.gz ARVGMSLYJOHKBU-PGRDOPGGSA-N 2 1 375.520 3.625 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC[N@H+]1Cc1ccccc1 ZINC001256529250 1043458894 /nfs/dbraw/zinc/45/88/94/1043458894.db2.gz ARVGMSLYJOHKBU-PGRDOPGGSA-N 2 1 375.520 3.625 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC001291819440 1043484248 /nfs/dbraw/zinc/48/42/48/1043484248.db2.gz IYDPBCFYBYCHFY-HXUWFJFHSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@H]1C[C@H](N2CCC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538388 1043484371 /nfs/dbraw/zinc/48/43/71/1043484371.db2.gz SRTMSMCQWOHINA-XUZZJYLKSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@H]1C[C@H](N2CCC[N@H+](Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538388 1043484391 /nfs/dbraw/zinc/48/43/91/1043484391.db2.gz SRTMSMCQWOHINA-XUZZJYLKSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@H]1C[C@H](N2CCC[N@@H+](Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538388 1043484404 /nfs/dbraw/zinc/48/44/04/1043484404.db2.gz SRTMSMCQWOHINA-XUZZJYLKSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@H]1C[C@H](N2CC3(C2)CC[NH+](Cc2cccnc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256539670 1043486355 /nfs/dbraw/zinc/48/63/55/1043486355.db2.gz DIQUNKQJDSFUEG-XUZZJYLKSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@H]1C[C@H](N2CC3(C2)CC[N@H+](Cc2cccnc2)C3)CC[NH+]1Cc1ccccc1 ZINC001256539670 1043486369 /nfs/dbraw/zinc/48/63/69/1043486369.db2.gz DIQUNKQJDSFUEG-XUZZJYLKSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@H]1C[C@H](N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)CC[NH+]1Cc1ccccc1 ZINC001256539670 1043486382 /nfs/dbraw/zinc/48/63/82/1043486382.db2.gz DIQUNKQJDSFUEG-XUZZJYLKSA-N 2 1 390.575 3.642 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256539473 1043486777 /nfs/dbraw/zinc/48/67/77/1043486777.db2.gz XVOXTSYEKHFDEQ-QMMLZNLJSA-N 2 1 380.532 3.986 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256539473 1043486784 /nfs/dbraw/zinc/48/67/84/1043486784.db2.gz XVOXTSYEKHFDEQ-QMMLZNLJSA-N 2 1 380.532 3.986 20 0 GHADMP C[C@@H]1C[C@H](N2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548589 1043509906 /nfs/dbraw/zinc/50/99/06/1043509906.db2.gz BLQRVDMVFFQCCQ-RCZVLFRGSA-N 2 1 377.576 3.900 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548522 1043509942 /nfs/dbraw/zinc/50/99/42/1043509942.db2.gz YOGGEPJINSCSCH-OIBXWCBGSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548522 1043509950 /nfs/dbraw/zinc/50/99/50/1043509950.db2.gz YOGGEPJINSCSCH-OIBXWCBGSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552728 1043519087 /nfs/dbraw/zinc/51/90/87/1043519087.db2.gz DONUZIVQGLTCNK-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552728 1043519091 /nfs/dbraw/zinc/51/90/91/1043519091.db2.gz DONUZIVQGLTCNK-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP COCC[N@H+](C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256576363 1043549647 /nfs/dbraw/zinc/54/96/47/1043549647.db2.gz HGASOGLQOXRNEA-LJQANCHMSA-N 2 1 397.604 3.597 20 0 GHADMP COCC[N@@H+](C1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256576363 1043549652 /nfs/dbraw/zinc/54/96/52/1043549652.db2.gz HGASOGLQOXRNEA-LJQANCHMSA-N 2 1 397.604 3.597 20 0 GHADMP Clc1cccnc1N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256599609 1043562929 /nfs/dbraw/zinc/56/29/29/1043562929.db2.gz YWSVZWRNZQMQCT-UHFFFAOYSA-N 2 1 384.955 3.958 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC001256605205 1043568798 /nfs/dbraw/zinc/56/87/98/1043568798.db2.gz XXRSKQSBJXSGQR-BVSLBCMMSA-N 2 1 397.563 3.662 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256605191 1043568851 /nfs/dbraw/zinc/56/88/51/1043568851.db2.gz DOTBRQMHVASLSB-XMMPIXPASA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256605191 1043568857 /nfs/dbraw/zinc/56/88/57/1043568857.db2.gz DOTBRQMHVASLSB-XMMPIXPASA-N 2 1 399.579 3.984 20 0 GHADMP c1ccc2c(c1)[C@@H]1C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)C[C@@H]1[C@@H]2OCC1CC1 ZINC001256694599 1043626880 /nfs/dbraw/zinc/62/68/80/1043626880.db2.gz ZUQBMEOXNALMKX-PZDSIAHKSA-N 2 1 396.575 3.827 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808120 1043664193 /nfs/dbraw/zinc/66/41/93/1043664193.db2.gz DSMDISNRPOJEQJ-UEQSERJNSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808120 1043664199 /nfs/dbraw/zinc/66/41/99/1043664199.db2.gz DSMDISNRPOJEQJ-UEQSERJNSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808120 1043664207 /nfs/dbraw/zinc/66/42/07/1043664207.db2.gz DSMDISNRPOJEQJ-UEQSERJNSA-N 2 1 384.564 3.587 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815424 1043671473 /nfs/dbraw/zinc/67/14/73/1043671473.db2.gz SEFOVSOTOIDWIK-UARRHKHWSA-N 2 1 384.564 3.730 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815424 1043671475 /nfs/dbraw/zinc/67/14/75/1043671475.db2.gz SEFOVSOTOIDWIK-UARRHKHWSA-N 2 1 384.564 3.730 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815424 1043671480 /nfs/dbraw/zinc/67/14/80/1043671480.db2.gz SEFOVSOTOIDWIK-UARRHKHWSA-N 2 1 384.564 3.730 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256852852 1043701698 /nfs/dbraw/zinc/70/16/98/1043701698.db2.gz IZFRENJKUDRBHJ-XUTJKUGGSA-N 3 1 382.527 3.962 20 0 GHADMP Fc1cccc(CN2CC[C@]23CCC[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)c1 ZINC001256858583 1043706576 /nfs/dbraw/zinc/70/65/76/1043706576.db2.gz JKAVECRFNJQWPE-DEOSSOPVSA-N 2 1 394.538 3.930 20 0 GHADMP Fc1ccc(-c2ncc3c(n2)C[N@@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001256862962 1043709212 /nfs/dbraw/zinc/70/92/12/1043709212.db2.gz TVZMUWVUPISDSL-UHFFFAOYSA-N 2 1 375.451 3.662 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256894229 1043726782 /nfs/dbraw/zinc/72/67/82/1043726782.db2.gz FXRMPRGDNCZDSF-IEBWSBKVSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256894229 1043726787 /nfs/dbraw/zinc/72/67/87/1043726787.db2.gz FXRMPRGDNCZDSF-IEBWSBKVSA-N 2 1 377.573 3.773 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001292967330 1043968238 /nfs/dbraw/zinc/96/82/38/1043968238.db2.gz YYUFGMGNSJEFMI-CEWLAPEOSA-N 2 1 399.604 3.810 20 0 GHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C2CCCCC2)C3)c1 ZINC001257458423 1044004675 /nfs/dbraw/zinc/00/46/75/1044004675.db2.gz XXVYYLWZJCOHMU-LADGPHEKSA-N 2 1 383.580 3.965 20 0 GHADMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C2CCCCC2)C3)c1 ZINC001257458423 1044004684 /nfs/dbraw/zinc/00/46/84/1044004684.db2.gz XXVYYLWZJCOHMU-LADGPHEKSA-N 2 1 383.580 3.965 20 0 GHADMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C2CCCCC2)C3)c1 ZINC001257458423 1044004694 /nfs/dbraw/zinc/00/46/94/1044004694.db2.gz XXVYYLWZJCOHMU-LADGPHEKSA-N 2 1 383.580 3.965 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Br)c(Br)o3)(C1)CCC2 ZINC001279023959 1044048376 /nfs/dbraw/zinc/04/83/76/1044048376.db2.gz GPGKXICVDAHOLS-UONOGXRCSA-N 2 1 392.135 3.959 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001293235735 1044069739 /nfs/dbraw/zinc/06/97/39/1044069739.db2.gz FZIDNVVRSHGKNF-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001293235735 1044069755 /nfs/dbraw/zinc/06/97/55/1044069755.db2.gz FZIDNVVRSHGKNF-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001293235735 1044069762 /nfs/dbraw/zinc/06/97/62/1044069762.db2.gz FZIDNVVRSHGKNF-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257973182 1044296023 /nfs/dbraw/zinc/29/60/23/1044296023.db2.gz KHSYMUIVKQAABA-LEWJYISDSA-N 2 1 398.551 3.792 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257973185 1044296081 /nfs/dbraw/zinc/29/60/81/1044296081.db2.gz KHSYMUIVKQAABA-SFTDATJTSA-N 2 1 398.551 3.792 20 0 GHADMP COCCOc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1C(F)(F)F ZINC001258008471 1044334752 /nfs/dbraw/zinc/33/47/52/1044334752.db2.gz VMMUIUXWFNJEMB-UHFFFAOYSA-N 2 1 388.474 3.941 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC1 ZINC001258033453 1044359586 /nfs/dbraw/zinc/35/95/86/1044359586.db2.gz YDEPHQCCEMQERR-UHFFFAOYSA-N 2 1 399.579 3.882 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C[C@@H]2C1 ZINC001258134969 1044419316 /nfs/dbraw/zinc/41/93/16/1044419316.db2.gz BLSNUDYRUPFBSR-BAGYTPMASA-N 2 1 399.579 3.539 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258135473 1044419402 /nfs/dbraw/zinc/41/94/02/1044419402.db2.gz JGQRQLWMBWSABV-SFTDATJTSA-N 2 1 387.568 3.729 20 0 GHADMP Cc1cccnc1N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258135690 1044421038 /nfs/dbraw/zinc/42/10/38/1044421038.db2.gz SRHFKGAHTSDCCZ-UHFFFAOYSA-N 2 1 378.564 3.656 20 0 GHADMP CC(C)N(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001258139814 1044425949 /nfs/dbraw/zinc/42/59/49/1044425949.db2.gz NIRMJAAMZIGSCF-UHFFFAOYSA-N 2 1 389.584 3.929 20 0 GHADMP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@]1(O)C(F)(F)F ZINC001258141269 1044426860 /nfs/dbraw/zinc/42/68/60/1044426860.db2.gz XDDYLUPZRHXSNP-YLJYHZDGSA-N 2 1 384.486 3.719 20 0 GHADMP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@]1(O)C(F)(F)F ZINC001258141269 1044426880 /nfs/dbraw/zinc/42/68/80/1044426880.db2.gz XDDYLUPZRHXSNP-YLJYHZDGSA-N 2 1 384.486 3.719 20 0 GHADMP C[C@H]1CC([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)C[C@H](C)C1 ZINC001258166581 1044448766 /nfs/dbraw/zinc/44/87/66/1044448766.db2.gz WWDJZKFWWWXDAQ-JTPPEQCGSA-N 2 1 378.601 3.791 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]C2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)cc1 ZINC001258389653 1044529915 /nfs/dbraw/zinc/52/99/15/1044529915.db2.gz SESQVYUVLCJIBO-FVYSKSNYSA-N 2 1 376.541 3.588 20 0 GHADMP CC1([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001258641667 1044683769 /nfs/dbraw/zinc/68/37/69/1044683769.db2.gz ZQDKJQINTLXTJO-UHFFFAOYSA-N 2 1 391.559 3.936 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697939 1044719508 /nfs/dbraw/zinc/71/95/08/1044719508.db2.gz UITOFGALDAXVFH-ICGSVKGVSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697939 1044719513 /nfs/dbraw/zinc/71/95/13/1044719513.db2.gz UITOFGALDAXVFH-ICGSVKGVSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697939 1044719520 /nfs/dbraw/zinc/71/95/20/1044719520.db2.gz UITOFGALDAXVFH-ICGSVKGVSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697939 1044719534 /nfs/dbraw/zinc/71/95/34/1044719534.db2.gz UITOFGALDAXVFH-ICGSVKGVSA-N 2 1 385.600 3.668 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001258773994 1044759891 /nfs/dbraw/zinc/75/98/91/1044759891.db2.gz SNONKCLJPSZODZ-OAQYLSRUSA-N 2 1 375.582 3.551 20 0 GHADMP C[C@H]1CCC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001258823549 1044774696 /nfs/dbraw/zinc/77/46/96/1044774696.db2.gz LYYAAQIHBJXNNM-NZQKXSOJSA-N 2 1 383.580 3.622 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC001258872070 1044814950 /nfs/dbraw/zinc/81/49/50/1044814950.db2.gz MZFKGUXZMQHVNQ-QGZVFWFLSA-N 2 1 378.557 3.696 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)Cc3ccccc3OC)CC2)cc1 ZINC001258884707 1044834548 /nfs/dbraw/zinc/83/45/48/1044834548.db2.gz YMLLYZOSKLPKGX-IBGZPJMESA-N 2 1 382.548 3.932 20 0 GHADMP COc1ccccc1C[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001258889587 1044842041 /nfs/dbraw/zinc/84/20/41/1044842041.db2.gz PBVUXTWSWFWJBX-CTNGQTDRSA-N 2 1 398.547 3.975 20 0 GHADMP CC[NH+](CC)C1CCN(c2nnc(CC(C)(C)C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001295471577 1045028737 /nfs/dbraw/zinc/02/87/37/1045028737.db2.gz FXGXCJUUZZSKHY-UHFFFAOYSA-N 2 1 392.636 3.518 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC001261790868 1046094429 /nfs/dbraw/zinc/09/44/29/1046094429.db2.gz XNLSAESWESRVHC-IBGZPJMESA-N 2 1 389.547 3.690 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1)CC1CC1 ZINC001546136468 1070786989 /nfs/dbraw/zinc/78/69/89/1070786989.db2.gz GSNQXEVBJUXRBG-RPWUZVMVSA-N 2 1 397.607 3.692 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1)CC1CC1 ZINC001546136468 1070787003 /nfs/dbraw/zinc/78/70/03/1070787003.db2.gz GSNQXEVBJUXRBG-RPWUZVMVSA-N 2 1 397.607 3.692 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1)CC1CC1 ZINC001546136468 1070787015 /nfs/dbraw/zinc/78/70/15/1070787015.db2.gz GSNQXEVBJUXRBG-RPWUZVMVSA-N 2 1 397.607 3.692 20 0 GHADMP O=C(NCc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001301597122 1046614639 /nfs/dbraw/zinc/61/46/39/1046614639.db2.gz BQSJIDVTFWWRBW-QHCPKHFHSA-N 2 1 386.499 3.528 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000381796697 1047000527 /nfs/dbraw/zinc/00/05/27/1047000527.db2.gz PLYDQLBPCZGCIX-CIAFKFPVSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000381796698 1047000841 /nfs/dbraw/zinc/00/08/41/1047000841.db2.gz PLYDQLBPCZGCIX-CLAROIROSA-N 2 1 399.579 3.886 20 0 GHADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC000382027017 1047007588 /nfs/dbraw/zinc/00/75/88/1047007588.db2.gz BLBGYRGATZIXTL-CXSMSNRLSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](N[C@H]4CC[N@@H+](Cc5ccccc5)C4)[C@@H]3C2)cc1 ZINC000382027017 1047007596 /nfs/dbraw/zinc/00/75/96/1047007596.db2.gz BLBGYRGATZIXTL-CXSMSNRLSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](N[C@H]4CC[N@H+](Cc5ccccc5)C4)[C@@H]3C2)cc1 ZINC000382027017 1047007607 /nfs/dbraw/zinc/00/76/07/1047007607.db2.gz BLBGYRGATZIXTL-CXSMSNRLSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC000382027017 1047007618 /nfs/dbraw/zinc/00/76/18/1047007618.db2.gz BLBGYRGATZIXTL-CXSMSNRLSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC000382027017 1047007630 /nfs/dbraw/zinc/00/76/30/1047007630.db2.gz BLBGYRGATZIXTL-CXSMSNRLSA-N 2 1 375.560 3.761 20 0 GHADMP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001264132078 1047249979 /nfs/dbraw/zinc/24/99/79/1047249979.db2.gz HUFPAMFTESQNOU-YPAWHYETSA-N 2 1 397.563 3.793 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001264132078 1047249985 /nfs/dbraw/zinc/24/99/85/1047249985.db2.gz HUFPAMFTESQNOU-YPAWHYETSA-N 2 1 397.563 3.793 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[N@H+]2C1 ZINC001303171510 1047302448 /nfs/dbraw/zinc/30/24/48/1047302448.db2.gz VTUKUBGEKNNRON-PNJWGLBASA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[NH+]2C1 ZINC001303171510 1047302458 /nfs/dbraw/zinc/30/24/58/1047302458.db2.gz VTUKUBGEKNNRON-PNJWGLBASA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[NH+]2C1 ZINC001303171510 1047302469 /nfs/dbraw/zinc/30/24/69/1047302469.db2.gz VTUKUBGEKNNRON-PNJWGLBASA-N 2 1 383.580 3.620 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(OC(F)F)c(OC(F)F)c3)C[C@H]2CC1 ZINC001279117139 1047724796 /nfs/dbraw/zinc/72/47/96/1047724796.db2.gz VSOFPMHXBPQTDD-OKILXGFUSA-N 2 1 376.394 3.663 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(OC(F)F)c3)C[C@H]2CC1 ZINC001279117139 1047724800 /nfs/dbraw/zinc/72/48/00/1047724800.db2.gz VSOFPMHXBPQTDD-OKILXGFUSA-N 2 1 376.394 3.663 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(OC(F)F)c3)C[C@H]2CC1 ZINC001279117139 1047724805 /nfs/dbraw/zinc/72/48/05/1047724805.db2.gz VSOFPMHXBPQTDD-OKILXGFUSA-N 2 1 376.394 3.663 20 0 GHADMP Fc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)cc1Cl ZINC001279302792 1047761151 /nfs/dbraw/zinc/76/11/51/1047761151.db2.gz PDWYYHNTYCQJNE-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)cc1Cl ZINC001279302792 1047761153 /nfs/dbraw/zinc/76/11/53/1047761153.db2.gz PDWYYHNTYCQJNE-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Cc1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4scnc4C)CC[C@@H]3C2)s1 ZINC001279387869 1047789539 /nfs/dbraw/zinc/78/95/39/1047789539.db2.gz WDIAPSDSHGHVLU-CALCHBBNSA-N 2 1 376.595 3.869 20 0 GHADMP Cc1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)s1 ZINC001279387869 1047789542 /nfs/dbraw/zinc/78/95/42/1047789542.db2.gz WDIAPSDSHGHVLU-CALCHBBNSA-N 2 1 376.595 3.869 20 0 GHADMP Cc1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)s1 ZINC001279387869 1047789548 /nfs/dbraw/zinc/78/95/48/1047789548.db2.gz WDIAPSDSHGHVLU-CALCHBBNSA-N 2 1 376.595 3.869 20 0 GHADMP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(C)nn(C)c3Cl)(C1)CCC2 ZINC001279413095 1047797614 /nfs/dbraw/zinc/79/76/14/1047797614.db2.gz RMRTXGUJZGVSHJ-MOPGFXCFSA-N 2 1 393.988 3.872 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ncc(C(F)(F)F)cc3Br)C[C@H]2CC1 ZINC001279643877 1047886330 /nfs/dbraw/zinc/88/63/30/1047886330.db2.gz AOHPKIIUAHDSED-TXEJJXNPSA-N 2 1 392.263 3.637 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ncc(C(F)(F)F)cc3Br)C[C@H]2CC1 ZINC001279643877 1047886346 /nfs/dbraw/zinc/88/63/46/1047886346.db2.gz AOHPKIIUAHDSED-TXEJJXNPSA-N 2 1 392.263 3.637 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ncc(C(F)(F)F)cc3Br)C[C@H]2CC1 ZINC001279643877 1047886359 /nfs/dbraw/zinc/88/63/59/1047886359.db2.gz AOHPKIIUAHDSED-TXEJJXNPSA-N 2 1 392.263 3.637 20 0 GHADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2scc(C)c2Cl)CC3)n(C)n1 ZINC001279657975 1047900888 /nfs/dbraw/zinc/90/08/88/1047900888.db2.gz QWVNSBQXYDWANK-UHFFFAOYSA-N 2 1 378.973 3.850 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cccs1)C2 ZINC001279772549 1047945916 /nfs/dbraw/zinc/94/59/16/1047945916.db2.gz TYEIEXWOMLPBGO-PZJWPPBQSA-N 2 1 377.598 3.541 20 0 GHADMP Cc1c(I)cccc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001279790995 1047950407 /nfs/dbraw/zinc/95/04/07/1047950407.db2.gz HCYUSTQUBXYCIJ-UHFFFAOYSA-N 2 1 398.332 3.907 20 0 GHADMP CCCC[N@@H+](C)CCn1c([C@H](C)CC)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001306681613 1048809202 /nfs/dbraw/zinc/80/92/02/1048809202.db2.gz PKGVSGRYYUIQNP-LJQANCHMSA-N 2 1 392.636 3.834 20 0 GHADMP CCCC[NH+](C)CCn1c([C@H](C)CC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306681613 1048809215 /nfs/dbraw/zinc/80/92/15/1048809215.db2.gz PKGVSGRYYUIQNP-LJQANCHMSA-N 2 1 392.636 3.834 20 0 GHADMP CCCC[NH+](C)CCn1c([C@H](C)CC)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001306681613 1048809239 /nfs/dbraw/zinc/80/92/39/1048809239.db2.gz PKGVSGRYYUIQNP-LJQANCHMSA-N 2 1 392.636 3.834 20 0 GHADMP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC001307874865 1049657804 /nfs/dbraw/zinc/65/78/04/1049657804.db2.gz BLUVYVRDKARORF-UHFFFAOYSA-N 2 1 379.291 3.539 20 0 GHADMP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC001307874865 1049657809 /nfs/dbraw/zinc/65/78/09/1049657809.db2.gz BLUVYVRDKARORF-UHFFFAOYSA-N 2 1 379.291 3.539 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(Cl)s2)CC1 ZINC001308127150 1049871406 /nfs/dbraw/zinc/87/14/06/1049871406.db2.gz SCUHVAXWYUOTFZ-HXUWFJFHSA-N 2 1 398.016 3.788 20 0 GHADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CC1 ZINC001308184823 1049904539 /nfs/dbraw/zinc/90/45/39/1049904539.db2.gz QPUYCNYFCHOFCA-UHFFFAOYSA-N 2 1 390.959 3.827 20 0 GHADMP c1csc(-c2nc(CNCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cs2)c1 ZINC001308232727 1049921122 /nfs/dbraw/zinc/92/11/22/1049921122.db2.gz KPSJSGWKIZMUBB-UHFFFAOYSA-N 2 1 399.589 3.569 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001308424337 1049972881 /nfs/dbraw/zinc/97/28/81/1049972881.db2.gz IGFRIEPGFZBLON-OAQYLSRUSA-N 2 1 375.520 3.659 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001308424337 1049972884 /nfs/dbraw/zinc/97/28/84/1049972884.db2.gz IGFRIEPGFZBLON-OAQYLSRUSA-N 2 1 375.520 3.659 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)C1 ZINC001308465847 1049982777 /nfs/dbraw/zinc/98/27/77/1049982777.db2.gz SMMHNKWUDOKSRT-CQSZACIVSA-N 2 1 377.330 3.661 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC[NH+](Cc2ccccc2)C1 ZINC001308693409 1050061374 /nfs/dbraw/zinc/06/13/74/1050061374.db2.gz TWXBHTBSYURXBA-FBHSLPMESA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001308693409 1050061379 /nfs/dbraw/zinc/06/13/79/1050061379.db2.gz TWXBHTBSYURXBA-FBHSLPMESA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308693409 1050061383 /nfs/dbraw/zinc/06/13/83/1050061383.db2.gz TWXBHTBSYURXBA-FBHSLPMESA-N 2 1 383.580 3.511 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC001308884764 1050139099 /nfs/dbraw/zinc/13/90/99/1050139099.db2.gz XTCNLYFSPFAYRG-SFHVURJKSA-N 2 1 382.504 3.945 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)o1 ZINC001308884764 1050139110 /nfs/dbraw/zinc/13/91/10/1050139110.db2.gz XTCNLYFSPFAYRG-SFHVURJKSA-N 2 1 382.504 3.945 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC001308884764 1050139116 /nfs/dbraw/zinc/13/91/16/1050139116.db2.gz XTCNLYFSPFAYRG-SFHVURJKSA-N 2 1 382.504 3.945 20 0 GHADMP Brc1ccc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2c1 ZINC001308920375 1050172128 /nfs/dbraw/zinc/17/21/28/1050172128.db2.gz LYJBEDYTYXYRSZ-FQEVSTJZSA-N 2 1 389.337 3.945 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+](CC2CCC(O)CC2)CC1)CC1CCC(O)CC1 ZINC001327553944 1050215566 /nfs/dbraw/zinc/21/55/66/1050215566.db2.gz KJQNIGNRQGRAHQ-UHFFFAOYSA-N 2 1 394.644 3.903 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H](n2cncn2)C1 ZINC001327610720 1050233077 /nfs/dbraw/zinc/23/30/77/1050233077.db2.gz FXJMWDFARMSOFE-LGKPFJOYSA-N 2 1 393.579 3.900 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001330154096 1050967188 /nfs/dbraw/zinc/96/71/88/1050967188.db2.gz OLKVDPFORMGZLE-ZSJMHYJMSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]1CCC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001330154096 1050967193 /nfs/dbraw/zinc/96/71/93/1050967193.db2.gz OLKVDPFORMGZLE-ZSJMHYJMSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]1CCC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001330154096 1050967197 /nfs/dbraw/zinc/96/71/97/1050967197.db2.gz OLKVDPFORMGZLE-ZSJMHYJMSA-N 2 1 398.595 3.603 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC001332898479 1051596258 /nfs/dbraw/zinc/59/62/58/1051596258.db2.gz PKRNJKBMQCHDQW-SVYOJDDLSA-N 2 1 377.532 3.802 20 0 GHADMP FC(F)(F)Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC001333667688 1051802238 /nfs/dbraw/zinc/80/22/38/1051802238.db2.gz ILAMEYOUZNRXCZ-MRXNPFEDSA-N 2 1 383.483 3.902 20 0 GHADMP FC(F)(F)Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC001333667688 1051802254 /nfs/dbraw/zinc/80/22/54/1051802254.db2.gz ILAMEYOUZNRXCZ-MRXNPFEDSA-N 2 1 383.483 3.902 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001311384504 1052077561 /nfs/dbraw/zinc/07/75/61/1052077561.db2.gz NHCOKVCFKJLKPV-PXNSSMCTSA-N 2 1 394.579 3.874 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001311384504 1052077576 /nfs/dbraw/zinc/07/75/76/1052077576.db2.gz NHCOKVCFKJLKPV-PXNSSMCTSA-N 2 1 394.579 3.874 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1)CC(C)C ZINC001311404321 1052109158 /nfs/dbraw/zinc/10/91/58/1052109158.db2.gz CBIFHQUBJFTJLW-HXUWFJFHSA-N 2 1 380.621 3.650 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001311430607 1052135159 /nfs/dbraw/zinc/13/51/59/1052135159.db2.gz OWQXUEGASFSRDH-VRKFHHGPSA-N 2 1 378.605 3.737 20 0 GHADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC001336702831 1052310349 /nfs/dbraw/zinc/31/03/49/1052310349.db2.gz GJQRKGSHCMKZIO-SFHVURJKSA-N 2 1 376.504 3.765 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001311688351 1052331304 /nfs/dbraw/zinc/33/13/04/1052331304.db2.gz KBSPSRVDNBSNBG-RZUBCFFCSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001337199742 1052422517 /nfs/dbraw/zinc/42/25/17/1052422517.db2.gz YWGRBAKCXDPRRY-HDICACEKSA-N 2 1 399.501 3.618 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCCC[NH+]2CC)CC1)CC(C)C ZINC001311951796 1052496328 /nfs/dbraw/zinc/49/63/28/1052496328.db2.gz MSKMQOXMXFQVMS-OAQYLSRUSA-N 2 1 380.621 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1)CC(C)C ZINC001311951796 1052496332 /nfs/dbraw/zinc/49/63/32/1052496332.db2.gz MSKMQOXMXFQVMS-OAQYLSRUSA-N 2 1 380.621 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1)CC(C)C ZINC001311951796 1052496336 /nfs/dbraw/zinc/49/63/36/1052496336.db2.gz MSKMQOXMXFQVMS-OAQYLSRUSA-N 2 1 380.621 3.650 20 0 GHADMP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC001312557499 1052790074 /nfs/dbraw/zinc/79/00/74/1052790074.db2.gz LFEPESKRNOUADG-FGZHOGPDSA-N 2 1 388.600 3.516 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001312786940 1052869764 /nfs/dbraw/zinc/86/97/64/1052869764.db2.gz QUUUMFZPEIVLGJ-RTWAWAEBSA-N 2 1 388.600 3.804 20 0 GHADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001313024244 1052936476 /nfs/dbraw/zinc/93/64/76/1052936476.db2.gz WMPJFBKYAVXXBQ-FQEVSTJZSA-N 2 1 378.605 3.737 20 0 GHADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001313024245 1052936545 /nfs/dbraw/zinc/93/65/45/1052936545.db2.gz WMPJFBKYAVXXBQ-HXUWFJFHSA-N 2 1 378.605 3.737 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CCC(C)([NH+]4CCCCC4)CC3)C2)cc1 ZINC001313187808 1052981153 /nfs/dbraw/zinc/98/11/53/1052981153.db2.gz YWPFCOJRIGXPNC-JOCHJYFZSA-N 2 1 398.595 3.619 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)cc1)[NH+]1CCOCC1 ZINC001343423640 1053763737 /nfs/dbraw/zinc/76/37/37/1053763737.db2.gz MESWZNLVTSOUHE-WIYYLYMNSA-N 2 1 385.552 3.578 20 0 GHADMP Cc1c(C(=O)O[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC001344022492 1054195956 /nfs/dbraw/zinc/19/59/56/1054195956.db2.gz NCALCHRTAZKVSN-ICSRJNTNSA-N 2 1 390.487 3.643 20 0 GHADMP Cc1c(C(=O)O[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC001344022492 1054195965 /nfs/dbraw/zinc/19/59/65/1054195965.db2.gz NCALCHRTAZKVSN-ICSRJNTNSA-N 2 1 390.487 3.643 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001318296436 1054553479 /nfs/dbraw/zinc/55/34/79/1054553479.db2.gz YALHFSCCNWJQLI-OAQYLSRUSA-N 2 1 390.547 3.559 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC001318410276 1054618938 /nfs/dbraw/zinc/61/89/38/1054618938.db2.gz RELSOLGIBOZEMP-SFTDATJTSA-N 2 1 385.577 3.830 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)C1 ZINC001318585273 1054732150 /nfs/dbraw/zinc/73/21/50/1054732150.db2.gz LIPRUWSAVBSVLF-MZYLBHOOSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)C1 ZINC001318585273 1054732165 /nfs/dbraw/zinc/73/21/65/1054732165.db2.gz LIPRUWSAVBSVLF-MZYLBHOOSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)C1 ZINC001318585273 1054732179 /nfs/dbraw/zinc/73/21/79/1054732179.db2.gz LIPRUWSAVBSVLF-MZYLBHOOSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)C1 ZINC001318585273 1054732194 /nfs/dbraw/zinc/73/21/94/1054732194.db2.gz LIPRUWSAVBSVLF-MZYLBHOOSA-N 2 1 398.595 3.549 20 0 GHADMP Cc1nccn1-c1ccncc1NC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC001318971756 1054972429 /nfs/dbraw/zinc/97/24/29/1054972429.db2.gz ZQEGLQBMFNXKGP-UHFFFAOYSA-N 2 1 386.415 3.755 20 0 GHADMP O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001319288757 1055158601 /nfs/dbraw/zinc/15/86/01/1055158601.db2.gz CZAFSENEWBFJRQ-WOJBJXKFSA-N 2 1 387.593 3.686 20 0 GHADMP CC1CC[NH+](Cc2ccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)cc2)CC1 ZINC001320811885 1055970917 /nfs/dbraw/zinc/97/09/17/1055970917.db2.gz CJKMZVKRINEELS-UHFFFAOYSA-N 2 1 375.476 3.752 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001322653896 1056786086 /nfs/dbraw/zinc/78/60/86/1056786086.db2.gz CHSOADGTKGDIPR-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001322653896 1056786092 /nfs/dbraw/zinc/78/60/92/1056786092.db2.gz CHSOADGTKGDIPR-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP CC(C)N(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848237461 1056928923 /nfs/dbraw/zinc/92/89/23/1056928923.db2.gz CUGRUDSSXIPIJN-DEOSSOPVSA-N 2 1 393.575 3.916 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001323154363 1056930747 /nfs/dbraw/zinc/93/07/47/1056930747.db2.gz JIJYSVRGILOYQP-PWIZWCRZSA-N 2 1 395.950 3.853 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001323154363 1056930749 /nfs/dbraw/zinc/93/07/49/1056930749.db2.gz JIJYSVRGILOYQP-PWIZWCRZSA-N 2 1 395.950 3.853 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001323154363 1056930752 /nfs/dbraw/zinc/93/07/52/1056930752.db2.gz JIJYSVRGILOYQP-PWIZWCRZSA-N 2 1 395.950 3.853 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1C ZINC001323786218 1057013108 /nfs/dbraw/zinc/01/31/08/1057013108.db2.gz SYUMIBZHDUHXGZ-FQEVSTJZSA-N 2 1 381.564 3.910 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000848546151 1057167023 /nfs/dbraw/zinc/16/70/23/1057167023.db2.gz TZTIZRJTEMHDTL-BJKOFHAPSA-N 2 1 380.532 3.620 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000848989511 1057493576 /nfs/dbraw/zinc/49/35/76/1057493576.db2.gz WCZDLJZUWYLWQR-SYYKKAFVSA-N 2 1 392.547 3.925 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC001356506245 1057531337 /nfs/dbraw/zinc/53/13/37/1057531337.db2.gz GPLRBQJRDWTANP-KKSHJYNMSA-N 2 1 385.596 3.914 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001356506245 1057531344 /nfs/dbraw/zinc/53/13/44/1057531344.db2.gz GPLRBQJRDWTANP-KKSHJYNMSA-N 2 1 385.596 3.914 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001356506245 1057531351 /nfs/dbraw/zinc/53/13/51/1057531351.db2.gz GPLRBQJRDWTANP-KKSHJYNMSA-N 2 1 385.596 3.914 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000849063567 1057574174 /nfs/dbraw/zinc/57/41/74/1057574174.db2.gz JVOVDXYZDGKWHS-SFHVURJKSA-N 2 1 382.508 3.552 20 0 GHADMP C[C@H](NC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1Cl ZINC000849096438 1057592762 /nfs/dbraw/zinc/59/27/62/1057592762.db2.gz FHTZPCNCFZCOSP-MEDUHNTESA-N 2 1 375.369 3.606 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001439894378 1058338320 /nfs/dbraw/zinc/33/83/20/1058338320.db2.gz QQVILBCTBIATBP-MSOLQXFVSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001439894378 1058338338 /nfs/dbraw/zinc/33/83/38/1058338338.db2.gz QQVILBCTBIATBP-MSOLQXFVSA-N 2 1 385.474 3.689 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586836 1058540187 /nfs/dbraw/zinc/54/01/87/1058540187.db2.gz JWIKOFOLGHIKRX-GOTSBHOMSA-N 2 1 391.559 3.708 20 0 GHADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001443577717 1059152739 /nfs/dbraw/zinc/15/27/39/1059152739.db2.gz GVCOWZAKMYJZNC-FQEVSTJZSA-N 2 1 377.960 3.541 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001446192016 1059724110 /nfs/dbraw/zinc/72/41/10/1059724110.db2.gz FMXPALIECLOXIO-DHIUTWEWSA-N 2 1 395.522 3.987 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001446192016 1059724132 /nfs/dbraw/zinc/72/41/32/1059724132.db2.gz FMXPALIECLOXIO-DHIUTWEWSA-N 2 1 395.522 3.987 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001447473647 1059969883 /nfs/dbraw/zinc/96/98/83/1059969883.db2.gz GWYYQNFYCKNWIY-QFIPXVFZSA-N 2 1 385.596 3.869 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)n1 ZINC001341006631 1060325900 /nfs/dbraw/zinc/32/59/00/1060325900.db2.gz PUONEQWSIAVITP-RBBKRZOGSA-N 2 1 378.520 3.639 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001341006631 1060325919 /nfs/dbraw/zinc/32/59/19/1060325919.db2.gz PUONEQWSIAVITP-RBBKRZOGSA-N 2 1 378.520 3.639 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001341006631 1060325943 /nfs/dbraw/zinc/32/59/43/1060325943.db2.gz PUONEQWSIAVITP-RBBKRZOGSA-N 2 1 378.520 3.639 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC001449261985 1060364701 /nfs/dbraw/zinc/36/47/01/1060364701.db2.gz DLOUNASFFTXEQY-MISYRCLQSA-N 2 1 379.976 3.960 20 0 GHADMP C[C@@H]([NH3+])c1nc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)cs1 ZINC001341320888 1060579039 /nfs/dbraw/zinc/57/90/39/1060579039.db2.gz QEIJDUREBCMFMY-CYBMUJFWSA-N 2 1 376.551 3.603 20 0 GHADMP C[C@@H]([NH3+])c1nc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cs1 ZINC001341474473 1060709164 /nfs/dbraw/zinc/70/91/64/1060709164.db2.gz XRFVYUJFNYBZQY-NOZJJQNGSA-N 2 1 387.336 3.502 20 0 GHADMP [NH3+]CC[C@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c2ccccc21 ZINC001341526600 1060731121 /nfs/dbraw/zinc/73/11/21/1060731121.db2.gz RRIKPNBOXOQYLO-OALUTQOASA-N 2 1 392.547 3.972 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CC(C)(C)C[NH3+])CC1 ZINC001341813768 1060906337 /nfs/dbraw/zinc/90/63/37/1060906337.db2.gz KLFCYTQMLQCPMT-UHFFFAOYSA-N 2 1 385.474 3.503 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(Br)c1OC ZINC001345957766 1061242585 /nfs/dbraw/zinc/24/25/85/1061242585.db2.gz ZWBNYVONLAMZIS-UHFFFAOYSA-N 2 1 397.357 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001455006304 1061974551 /nfs/dbraw/zinc/97/45/51/1061974551.db2.gz BPPKELJVWWKZRS-BJKOFHAPSA-N 2 1 391.559 3.598 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006304 1061974552 /nfs/dbraw/zinc/97/45/52/1061974552.db2.gz BPPKELJVWWKZRS-BJKOFHAPSA-N 2 1 391.559 3.598 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006304 1061974558 /nfs/dbraw/zinc/97/45/58/1061974558.db2.gz BPPKELJVWWKZRS-BJKOFHAPSA-N 2 1 391.559 3.598 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001435064517 1062262598 /nfs/dbraw/zinc/26/25/98/1062262598.db2.gz LGJPSTRSRKSYMZ-JOCHJYFZSA-N 2 1 377.548 3.570 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001347513547 1062455751 /nfs/dbraw/zinc/45/57/51/1062455751.db2.gz HWELTFWUIGWMPM-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001435803233 1062937352 /nfs/dbraw/zinc/93/73/52/1062937352.db2.gz FJFDNEZAHXLHRE-NQIIRXRSSA-N 2 1 381.520 3.516 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)C2)cc1 ZINC001457982359 1063482399 /nfs/dbraw/zinc/48/23/99/1063482399.db2.gz SNCLOLFNVNTMIF-ZEQRLZLVSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cccc([C@H]4CCC[NH+](C)C4)c3)C2)cc1 ZINC001457982359 1063482418 /nfs/dbraw/zinc/48/24/18/1063482418.db2.gz SNCLOLFNVNTMIF-ZEQRLZLVSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cccc([C@H]4CCC[NH+](C)C4)c3)C2)cc1 ZINC001457982359 1063482427 /nfs/dbraw/zinc/48/24/27/1063482427.db2.gz SNCLOLFNVNTMIF-ZEQRLZLVSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(-c2ccccc2)nc2ccccc21 ZINC001458479956 1063837032 /nfs/dbraw/zinc/83/70/32/1063837032.db2.gz DTRVYUVOIDWZDJ-SFHVURJKSA-N 2 1 377.536 3.981 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(-c2ccccc2)nc2ccccc21 ZINC001458479956 1063837040 /nfs/dbraw/zinc/83/70/40/1063837040.db2.gz DTRVYUVOIDWZDJ-SFHVURJKSA-N 2 1 377.536 3.981 20 0 GHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c(C)cc1I ZINC001459617027 1064144672 /nfs/dbraw/zinc/14/46/72/1064144672.db2.gz WHVXLUBEFQTZAS-HOCLYGCPSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1I ZINC001459617027 1064144678 /nfs/dbraw/zinc/14/46/78/1064144678.db2.gz WHVXLUBEFQTZAS-HOCLYGCPSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)cc1I ZINC001459617027 1064144687 /nfs/dbraw/zinc/14/46/87/1064144687.db2.gz WHVXLUBEFQTZAS-HOCLYGCPSA-N 2 1 386.321 3.823 20 0 GHADMP CC[N@@H+](CCC1CC1)CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC001459913426 1064267734 /nfs/dbraw/zinc/26/77/34/1064267734.db2.gz NWQJUXDSJMRKLD-FQEVSTJZSA-N 2 1 377.960 3.715 20 0 GHADMP CC[N@H+](CCC1CC1)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459913426 1064267740 /nfs/dbraw/zinc/26/77/40/1064267740.db2.gz NWQJUXDSJMRKLD-FQEVSTJZSA-N 2 1 377.960 3.715 20 0 GHADMP CC(=O)NC1CCC([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001459938825 1064288005 /nfs/dbraw/zinc/28/80/05/1064288005.db2.gz VXEWRTXSXMSVFW-UHFFFAOYSA-N 2 1 385.596 3.710 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1CC[NH+]1C1CCCC1 ZINC001464846993 1065242492 /nfs/dbraw/zinc/24/24/92/1065242492.db2.gz PUEMMGAQHOEPGX-LEWJYISDSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1CC[NH+]1C1CCCC1 ZINC001464846993 1065242506 /nfs/dbraw/zinc/24/25/06/1065242506.db2.gz PUEMMGAQHOEPGX-LEWJYISDSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001464846993 1065242514 /nfs/dbraw/zinc/24/25/14/1065242514.db2.gz PUEMMGAQHOEPGX-LEWJYISDSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001464846993 1065242527 /nfs/dbraw/zinc/24/25/27/1065242527.db2.gz PUEMMGAQHOEPGX-LEWJYISDSA-N 2 1 389.971 3.828 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)o1 ZINC001464918168 1065273281 /nfs/dbraw/zinc/27/32/81/1065273281.db2.gz REIBBBOSVDORLD-UHFFFAOYSA-N 2 1 389.927 3.733 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001300433632 1066320298 /nfs/dbraw/zinc/32/02/98/1066320298.db2.gz DPANRZCXKWQALV-OAQYLSRUSA-N 2 1 395.547 3.655 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)sc2C1 ZINC001466824225 1066339529 /nfs/dbraw/zinc/33/95/29/1066339529.db2.gz ALLDEWGDRXTIGT-UHFFFAOYSA-N 2 1 383.521 3.766 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)sc2C1 ZINC001466824225 1066339546 /nfs/dbraw/zinc/33/95/46/1066339546.db2.gz ALLDEWGDRXTIGT-UHFFFAOYSA-N 2 1 383.521 3.766 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001477577143 1078473787 /nfs/dbraw/zinc/47/37/87/1078473787.db2.gz XWFALCFKYKVTHV-ZGXWSNOMSA-N 2 1 388.600 3.781 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(F)c3ccccc23)CC1 ZINC001358319636 1067480009 /nfs/dbraw/zinc/48/00/09/1067480009.db2.gz RCBAOEBRRODGRE-UHFFFAOYSA-N 2 1 392.478 3.697 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC001467873085 1067510103 /nfs/dbraw/zinc/51/01/03/1067510103.db2.gz YUWICMFCBIJIDK-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001467873085 1067510111 /nfs/dbraw/zinc/51/01/11/1067510111.db2.gz YUWICMFCBIJIDK-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001467873085 1067510122 /nfs/dbraw/zinc/51/01/22/1067510122.db2.gz YUWICMFCBIJIDK-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)c1ccc(Cl)cc1 ZINC001467903069 1067521520 /nfs/dbraw/zinc/52/15/20/1067521520.db2.gz KUIZCZIUOVNXJY-XUVXKRRUSA-N 2 1 377.960 3.856 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1ccc(Cl)cc1 ZINC001467903069 1067521528 /nfs/dbraw/zinc/52/15/28/1067521528.db2.gz KUIZCZIUOVNXJY-XUVXKRRUSA-N 2 1 377.960 3.856 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)c1ccc(Cl)cc1 ZINC001467903069 1067521535 /nfs/dbraw/zinc/52/15/35/1067521535.db2.gz KUIZCZIUOVNXJY-XUVXKRRUSA-N 2 1 377.960 3.856 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001468015025 1067565978 /nfs/dbraw/zinc/56/59/78/1067565978.db2.gz GNJLITGIBWFBOL-PGRDOPGGSA-N 2 1 398.526 3.517 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001468212180 1067633426 /nfs/dbraw/zinc/63/34/26/1067633426.db2.gz RQVJNCVBQNHKPL-HBMCJLEFSA-N 2 1 394.648 3.896 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000849110601 1067733331 /nfs/dbraw/zinc/73/33/31/1067733331.db2.gz IXRXHASYCPHYPO-INIZCTEOSA-N 2 1 386.462 3.567 20 0 GHADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001468909723 1067925117 /nfs/dbraw/zinc/92/51/17/1067925117.db2.gz WDGLYXORMLMCQO-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001468909723 1067925119 /nfs/dbraw/zinc/92/51/19/1067925119.db2.gz WDGLYXORMLMCQO-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001468909723 1067925121 /nfs/dbraw/zinc/92/51/21/1067925121.db2.gz WDGLYXORMLMCQO-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001468909723 1067925126 /nfs/dbraw/zinc/92/51/26/1067925126.db2.gz WDGLYXORMLMCQO-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360031879 1068322463 /nfs/dbraw/zinc/32/24/63/1068322463.db2.gz GSUYIHDCRGLUPD-OAQYLSRUSA-N 2 1 399.966 3.752 20 0 GHADMP C[C@]1(CNC(=O)NCCC[NH2+]C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001470012581 1068522556 /nfs/dbraw/zinc/52/25/56/1068522556.db2.gz LBEMCPFJTUKHKV-HSZRJFAPSA-N 2 1 386.584 3.510 20 0 GHADMP CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001470046519 1068541404 /nfs/dbraw/zinc/54/14/04/1068541404.db2.gz MIJBMIMYKXPFGW-IRLDBZIGSA-N 2 1 388.600 3.803 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccc(Oc3ccccc3)cc1)CCO2 ZINC001460293737 1068910677 /nfs/dbraw/zinc/91/06/77/1068910677.db2.gz YJBAXAIGOKSUIT-UHFFFAOYSA-N 2 1 382.504 3.654 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1ccc(Oc3ccccc3)cc1)CCO2 ZINC001460293737 1068910684 /nfs/dbraw/zinc/91/06/84/1068910684.db2.gz YJBAXAIGOKSUIT-UHFFFAOYSA-N 2 1 382.504 3.654 20 0 GHADMP CCCCNC(=O)CC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549583 1068992929 /nfs/dbraw/zinc/99/29/29/1068992929.db2.gz XLMDGKBCABLCHA-HSZRJFAPSA-N 2 1 385.596 3.915 20 0 GHADMP CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001460928990 1069280476 /nfs/dbraw/zinc/28/04/76/1069280476.db2.gz BEKRTDMGUVHQQG-OALUTQOASA-N 2 1 379.589 3.828 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460973010 1069306869 /nfs/dbraw/zinc/30/68/69/1069306869.db2.gz LSSHBYMUWYUNMH-NQIIRXRSSA-N 2 1 376.545 3.599 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460973010 1069306883 /nfs/dbraw/zinc/30/68/83/1069306883.db2.gz LSSHBYMUWYUNMH-NQIIRXRSSA-N 2 1 376.545 3.599 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC001478590337 1078927501 /nfs/dbraw/zinc/92/75/01/1078927501.db2.gz OAHYXBFVGIBQSL-OAQYLSRUSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C2)cc1 ZINC001471314407 1073013570 /nfs/dbraw/zinc/01/35/70/1073013570.db2.gz JWEYFAKESWCBMH-DNQXCXABSA-N 2 1 391.559 3.565 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC001473111492 1073785862 /nfs/dbraw/zinc/78/58/62/1073785862.db2.gz HHODWNTYLKIZCG-DHIUTWEWSA-N 2 1 379.548 3.503 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]1C1CCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473144390 1073805277 /nfs/dbraw/zinc/80/52/77/1073805277.db2.gz KRKIIESORYXZGP-LEWJYISDSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1C1CCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473144390 1073805284 /nfs/dbraw/zinc/80/52/84/1073805284.db2.gz KRKIIESORYXZGP-LEWJYISDSA-N 2 1 389.971 3.858 20 0 GHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001473194411 1073847082 /nfs/dbraw/zinc/84/70/82/1073847082.db2.gz CXRSVVIMBLVBRI-GOTSBHOMSA-N 2 1 381.564 3.667 20 0 GHADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001473273574 1073902000 /nfs/dbraw/zinc/90/20/00/1073902000.db2.gz QFQGHZVMJAUPED-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[C@H](C)[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001473273574 1073902002 /nfs/dbraw/zinc/90/20/02/1073902002.db2.gz QFQGHZVMJAUPED-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[C@H](C)[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001473273574 1073902006 /nfs/dbraw/zinc/90/20/06/1073902006.db2.gz QFQGHZVMJAUPED-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390170 1073946227 /nfs/dbraw/zinc/94/62/27/1073946227.db2.gz XVRMSWVYAJECOD-AJSBUHFISA-N 2 1 380.532 3.786 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390170 1073946228 /nfs/dbraw/zinc/94/62/28/1073946228.db2.gz XVRMSWVYAJECOD-AJSBUHFISA-N 2 1 380.532 3.786 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390170 1073946229 /nfs/dbraw/zinc/94/62/29/1073946229.db2.gz XVRMSWVYAJECOD-AJSBUHFISA-N 2 1 380.532 3.786 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440866 1073963956 /nfs/dbraw/zinc/96/39/56/1073963956.db2.gz ZIEXOQWXYPPUMQ-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440866 1073963957 /nfs/dbraw/zinc/96/39/57/1073963957.db2.gz ZIEXOQWXYPPUMQ-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440866 1073963964 /nfs/dbraw/zinc/96/39/64/1073963964.db2.gz ZIEXOQWXYPPUMQ-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP COc1cccc2c1CCC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C2 ZINC001473913478 1074201396 /nfs/dbraw/zinc/20/13/96/1074201396.db2.gz FOFXZWUNEXIQAG-TZIWHRDSSA-N 2 1 399.604 3.582 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(OCC(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001474028849 1074241457 /nfs/dbraw/zinc/24/14/57/1074241457.db2.gz QRFUAYHDVVMCEE-UHFFFAOYSA-N 2 1 394.441 3.793 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3N3CCO[C@H](C)C3)C2)CC1 ZINC001474339857 1074352094 /nfs/dbraw/zinc/35/20/94/1074352094.db2.gz PSMWOSWZCJCXLO-FGZHOGPDSA-N 2 1 385.596 3.856 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3N3CCO[C@H](C)C3)C2)CC1 ZINC001474339857 1074352096 /nfs/dbraw/zinc/35/20/96/1074352096.db2.gz PSMWOSWZCJCXLO-FGZHOGPDSA-N 2 1 385.596 3.856 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001474364127 1074364291 /nfs/dbraw/zinc/36/42/91/1074364291.db2.gz XOSLEPUOJREGHQ-CQSZACIVSA-N 2 1 381.483 3.638 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC001474364127 1074364296 /nfs/dbraw/zinc/36/42/96/1074364296.db2.gz XOSLEPUOJREGHQ-CQSZACIVSA-N 2 1 381.483 3.638 20 0 GHADMP COC(=O)c1sccc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001474745550 1074542996 /nfs/dbraw/zinc/54/29/96/1074542996.db2.gz RVTQYJJESPPSBW-AABGKKOBSA-N 2 1 384.545 3.925 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OCc1ccccc1 ZINC001474757145 1074548130 /nfs/dbraw/zinc/54/81/30/1074548130.db2.gz HZCQGLALFVZJRU-JTHBVZDNSA-N 2 1 393.531 3.871 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OCc1ccccc1 ZINC001474757145 1074548134 /nfs/dbraw/zinc/54/81/34/1074548134.db2.gz HZCQGLALFVZJRU-JTHBVZDNSA-N 2 1 393.531 3.871 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001495489523 1079410775 /nfs/dbraw/zinc/41/07/75/1079410775.db2.gz TUMNSQHUSWVDLR-ICSRJNTNSA-N 2 1 390.620 3.633 20 0 GHADMP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000822744395 607481398 /nfs/dbraw/zinc/48/13/98/607481398.db2.gz RNXHUBIQNYZKDR-UHFFFAOYSA-N 2 1 394.498 3.672 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585792 607808551 /nfs/dbraw/zinc/80/85/51/607808551.db2.gz UDFWTKKLXJVOCQ-BJLQDIEVSA-N 2 1 390.535 3.818 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4C[C@@H]5[NH2+]Cc6ccccc6[C@H]5C4)ccc3C2)cc1 ZINC001164425884 718941621 /nfs/dbraw/zinc/94/16/21/718941621.db2.gz XQNWTOMKZKZXAS-NOZRDPDXSA-N 2 1 396.538 3.716 20 0 GHADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785559 721435283 /nfs/dbraw/zinc/43/52/83/721435283.db2.gz NREVVZFSHXFMSR-HSALFYBXSA-N 2 1 397.592 3.653 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785559 721435285 /nfs/dbraw/zinc/43/52/85/721435285.db2.gz NREVVZFSHXFMSR-HSALFYBXSA-N 2 1 397.592 3.653 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785559 721435288 /nfs/dbraw/zinc/43/52/88/721435288.db2.gz NREVVZFSHXFMSR-HSALFYBXSA-N 2 1 397.592 3.653 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785559 721435291 /nfs/dbraw/zinc/43/52/91/721435291.db2.gz NREVVZFSHXFMSR-HSALFYBXSA-N 2 1 397.592 3.653 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165020789 721813510 /nfs/dbraw/zinc/81/35/10/721813510.db2.gz DAOZEFQWPMEZHG-DFQSSKMNSA-N 2 1 390.535 3.707 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165020789 721813511 /nfs/dbraw/zinc/81/35/11/721813511.db2.gz DAOZEFQWPMEZHG-DFQSSKMNSA-N 2 1 390.535 3.707 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC001165035256 721896083 /nfs/dbraw/zinc/89/60/83/721896083.db2.gz LZVRZBSDIOURHZ-KRWDZBQOSA-N 2 1 387.597 3.824 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000431770353 837421482 /nfs/dbraw/zinc/42/14/82/837421482.db2.gz KWPAAXPCEDMVHD-IFMALSPDSA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCC[C@@H](CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431773356 837440199 /nfs/dbraw/zinc/44/01/99/837440199.db2.gz OMPUAYCGRKHZPY-TZIWHRDSSA-N 2 1 392.632 3.650 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@H]3Cc3ccccc3)ccc21 ZINC000650236912 837461329 /nfs/dbraw/zinc/46/13/29/837461329.db2.gz ODEHOUAXTVHHLS-GGAORHGYSA-N 2 1 392.547 3.626 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3Cc3ccccc3)ccc21 ZINC000650236912 837461336 /nfs/dbraw/zinc/46/13/36/837461336.db2.gz ODEHOUAXTVHHLS-GGAORHGYSA-N 2 1 392.547 3.626 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414111302 837586275 /nfs/dbraw/zinc/58/62/75/837586275.db2.gz IVVQCPXBGHDLCS-NLWGTHIKSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1csc(-c2ccccc2)n1 ZINC000414112315 837602805 /nfs/dbraw/zinc/60/28/05/837602805.db2.gz XXMKFXVTMWQNCN-INIZCTEOSA-N 2 1 382.533 3.996 20 0 GHADMP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000655691400 837671947 /nfs/dbraw/zinc/67/19/47/837671947.db2.gz AEWACGIOIIOCFJ-YLJYHZDGSA-N 2 1 376.541 3.778 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655691957 837674602 /nfs/dbraw/zinc/67/46/02/837674602.db2.gz JEKXBOXJWLWRCU-JXALWOEJSA-N 2 1 385.596 3.507 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655691957 837674612 /nfs/dbraw/zinc/67/46/12/837674612.db2.gz JEKXBOXJWLWRCU-JXALWOEJSA-N 3 1 385.596 3.507 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655691957 837674617 /nfs/dbraw/zinc/67/46/17/837674617.db2.gz JEKXBOXJWLWRCU-JXALWOEJSA-N 3 1 385.596 3.507 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000655708914 837701803 /nfs/dbraw/zinc/70/18/03/837701803.db2.gz PRPCWOPTZRWJPY-IEBWSBKVSA-N 2 1 378.582 3.550 20 0 GHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655733006 837770793 /nfs/dbraw/zinc/77/07/93/837770793.db2.gz HROADAGIRUKYDK-RHSMWYFYSA-N 2 1 399.348 3.752 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc5c(c4)OCCO5)C3)CC2)cc1 ZINC000579722423 834444569 /nfs/dbraw/zinc/44/45/69/834444569.db2.gz KBGUJYRCGNNLMX-UHFFFAOYSA-N 2 1 378.516 3.946 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654730411 834450954 /nfs/dbraw/zinc/45/09/54/834450954.db2.gz QJNWCNUXJHZPJM-XPWALMASSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654730411 834450959 /nfs/dbraw/zinc/45/09/59/834450959.db2.gz QJNWCNUXJHZPJM-XPWALMASSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654730411 834450963 /nfs/dbraw/zinc/45/09/63/834450963.db2.gz QJNWCNUXJHZPJM-XPWALMASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)NC(C)(C)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000458572638 834557036 /nfs/dbraw/zinc/55/70/36/834557036.db2.gz BUQTVPBOAWLZPP-PZJWPPBQSA-N 2 1 388.600 3.707 20 0 GHADMP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(F)c1 ZINC000650717537 834645507 /nfs/dbraw/zinc/64/55/07/834645507.db2.gz DOFIFYMNHCZPNO-SFHVURJKSA-N 2 1 378.875 3.785 20 0 GHADMP CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654836382 834646882 /nfs/dbraw/zinc/64/68/82/834646882.db2.gz KNTAIIINUCGZFW-HSZRJFAPSA-N 2 1 399.623 3.971 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000657771620 834657249 /nfs/dbraw/zinc/65/72/49/834657249.db2.gz DMSRIEIKGMCYMA-SFHVURJKSA-N 2 1 383.319 3.757 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000654864478 834686320 /nfs/dbraw/zinc/68/63/20/834686320.db2.gz AOROITMCSYHJMM-PGRDOPGGSA-N 2 1 388.515 3.880 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000654864478 834686328 /nfs/dbraw/zinc/68/63/28/834686328.db2.gz AOROITMCSYHJMM-PGRDOPGGSA-N 2 1 388.515 3.880 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000650723562 834703607 /nfs/dbraw/zinc/70/36/07/834703607.db2.gz QGRHRQWHYCXGCU-WTIAFYNJSA-N 2 1 381.520 3.521 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471118474 834741162 /nfs/dbraw/zinc/74/11/62/834741162.db2.gz FWJDGRUXACKGTM-WTOYTKOKSA-N 2 1 383.511 3.598 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471118474 834741167 /nfs/dbraw/zinc/74/11/67/834741167.db2.gz FWJDGRUXACKGTM-WTOYTKOKSA-N 2 1 383.511 3.598 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000139941806 834768781 /nfs/dbraw/zinc/76/87/81/834768781.db2.gz CWWBQWLTAAOPTD-FQEVSTJZSA-N 2 1 397.588 3.986 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC3CC3)C3CCCCC3)CC2)CC1 ZINC000583639450 834797782 /nfs/dbraw/zinc/79/77/82/834797782.db2.gz HUQCKXOMZZLTFR-UHFFFAOYSA-N 2 1 375.601 3.754 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000685464202 835031126 /nfs/dbraw/zinc/03/11/26/835031126.db2.gz DOZHENLWMYJOBC-RTWAWAEBSA-N 2 1 385.596 3.856 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000151140882 835040859 /nfs/dbraw/zinc/04/08/59/835040859.db2.gz GATOEFJLTIXUAK-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000151140882 835040870 /nfs/dbraw/zinc/04/08/70/835040870.db2.gz GATOEFJLTIXUAK-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000583795981 835054484 /nfs/dbraw/zinc/05/44/84/835054484.db2.gz TXBRZCBYEDZJCZ-SFHVURJKSA-N 2 1 377.492 3.771 20 0 GHADMP Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000583795981 835054496 /nfs/dbraw/zinc/05/44/96/835054496.db2.gz TXBRZCBYEDZJCZ-SFHVURJKSA-N 2 1 377.492 3.771 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)c2cccs2)CC1 ZINC000545220631 835080362 /nfs/dbraw/zinc/08/03/62/835080362.db2.gz UYNCUFJBQGBJSA-OFLPRAFFSA-N 2 1 389.531 3.995 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093336760 835092204 /nfs/dbraw/zinc/09/22/04/835092204.db2.gz AHBWVXINSHMZQI-HSZRJFAPSA-N 3 1 381.564 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000093336760 835092214 /nfs/dbraw/zinc/09/22/14/835092214.db2.gz AHBWVXINSHMZQI-HSZRJFAPSA-N 3 1 381.564 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000093336760 835092224 /nfs/dbraw/zinc/09/22/24/835092224.db2.gz AHBWVXINSHMZQI-HSZRJFAPSA-N 3 1 381.564 3.581 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336760 835092234 /nfs/dbraw/zinc/09/22/34/835092234.db2.gz AHBWVXINSHMZQI-HSZRJFAPSA-N 2 1 381.564 3.581 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336760 835092248 /nfs/dbraw/zinc/09/22/48/835092248.db2.gz AHBWVXINSHMZQI-HSZRJFAPSA-N 2 1 381.564 3.581 20 0 GHADMP Cc1nn2c(C[N@@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)c(C)nc2s1 ZINC000472340312 835143445 /nfs/dbraw/zinc/14/34/45/835143445.db2.gz DMRAIPZFJJOZBI-MOPGFXCFSA-N 2 1 383.565 3.580 20 0 GHADMP Cc1nn2c(C[N@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)c(C)nc2s1 ZINC000472340312 835143449 /nfs/dbraw/zinc/14/34/49/835143449.db2.gz DMRAIPZFJJOZBI-MOPGFXCFSA-N 2 1 383.565 3.580 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000093639443 835346706 /nfs/dbraw/zinc/34/67/06/835346706.db2.gz SBNDOOCBGNKVSY-KDOFPFPSSA-N 2 1 379.342 3.887 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000093639443 835346711 /nfs/dbraw/zinc/34/67/11/835346711.db2.gz SBNDOOCBGNKVSY-KDOFPFPSSA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000093639443 835346719 /nfs/dbraw/zinc/34/67/19/835346719.db2.gz SBNDOOCBGNKVSY-KDOFPFPSSA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000093639443 835346727 /nfs/dbraw/zinc/34/67/27/835346727.db2.gz SBNDOOCBGNKVSY-KDOFPFPSSA-N 2 1 379.342 3.887 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000583989779 835366315 /nfs/dbraw/zinc/36/63/15/835366315.db2.gz PXYYEOBYBPFJPR-NHYNNZIHSA-N 2 1 394.559 3.828 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657814423 835372981 /nfs/dbraw/zinc/37/29/81/835372981.db2.gz AELNQXPPLQLIDC-WBVHZDCISA-N 2 1 386.590 3.997 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000658074422 835400171 /nfs/dbraw/zinc/40/01/71/835400171.db2.gz UXCDOBCYLCEGSJ-BKFWDETESA-N 2 1 377.532 3.608 20 0 GHADMP C[C@@H](c1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000433358447 844049341 /nfs/dbraw/zinc/04/93/41/844049341.db2.gz BCVWEXLPSFYTHY-AVRDEDQJSA-N 2 1 381.520 3.711 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CCC2(CC2)CC1 ZINC000612047512 835434574 /nfs/dbraw/zinc/43/45/74/835434574.db2.gz RBGBHOITOHAFGY-UHFFFAOYSA-N 2 1 375.601 3.612 20 0 GHADMP Cc1cc(F)cc(C)c1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000612049829 835436540 /nfs/dbraw/zinc/43/65/40/835436540.db2.gz KDMNHHATAPEDMU-UHFFFAOYSA-N 2 1 389.559 3.711 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142620 835452730 /nfs/dbraw/zinc/45/27/30/835452730.db2.gz ZDAJAVLQVXNWRZ-WMZHIEFXSA-N 2 1 380.532 3.774 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137761 835462363 /nfs/dbraw/zinc/46/23/63/835462363.db2.gz IHSVWNJOMMNRBT-DNVCBOLYSA-N 2 1 376.447 3.705 20 0 GHADMP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658140724 835467309 /nfs/dbraw/zinc/46/73/09/835467309.db2.gz QUYWMRLIFINCLD-FYYLOGMGSA-N 2 1 380.532 3.874 20 0 GHADMP CCOCc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000179653972 835711154 /nfs/dbraw/zinc/71/11/54/835711154.db2.gz FBZDXLHEEBBQDD-KDURUIRLSA-N 2 1 390.568 3.553 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657834189 835743787 /nfs/dbraw/zinc/74/37/87/835743787.db2.gz FGHATQYZJLFJJZ-IBGZPJMESA-N 2 1 399.579 3.925 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278673364 835760449 /nfs/dbraw/zinc/76/04/49/835760449.db2.gz UCUXIXXZIQABME-RBUKOAKNSA-N 2 1 375.557 3.618 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278673364 835760459 /nfs/dbraw/zinc/76/04/59/835760459.db2.gz UCUXIXXZIQABME-RBUKOAKNSA-N 2 1 375.557 3.618 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177106653 835879619 /nfs/dbraw/zinc/87/96/19/835879619.db2.gz ODZPDWXRONFHQM-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000584362811 835922112 /nfs/dbraw/zinc/92/21/12/835922112.db2.gz HHQNMTGPSZZFQG-UHFFFAOYSA-N 2 1 382.346 3.632 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000611843328 835969533 /nfs/dbraw/zinc/96/95/33/835969533.db2.gz VIERWDIIAASTJU-QFIPXVFZSA-N 2 1 397.607 3.854 20 0 GHADMP CC[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000685773965 836209358 /nfs/dbraw/zinc/20/93/58/836209358.db2.gz ZGLHRYARXMJAPX-FGCOXFRFSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000685773965 836209365 /nfs/dbraw/zinc/20/93/65/836209365.db2.gz ZGLHRYARXMJAPX-FGCOXFRFSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000685773965 836209374 /nfs/dbraw/zinc/20/93/74/836209374.db2.gz ZGLHRYARXMJAPX-FGCOXFRFSA-N 2 1 393.575 3.924 20 0 GHADMP COC(=O)c1ccccc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000548931819 836238453 /nfs/dbraw/zinc/23/84/53/836238453.db2.gz CRHBUMCEJUNDHV-JOCHJYFZSA-N 2 1 396.531 3.742 20 0 GHADMP COC(=O)c1ccccc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000548931819 836238459 /nfs/dbraw/zinc/23/84/59/836238459.db2.gz CRHBUMCEJUNDHV-JOCHJYFZSA-N 2 1 396.531 3.742 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000500863848 844184687 /nfs/dbraw/zinc/18/46/87/844184687.db2.gz HDXJYCLONBPQNW-RBUKOAKNSA-N 2 1 380.602 3.695 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C[NH+]1CCCCC1 ZINC000332835745 836721201 /nfs/dbraw/zinc/72/12/01/836721201.db2.gz ZRCVZRJAPQQQQQ-AZUAARDMSA-N 2 1 386.584 3.731 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000414252085 836753743 /nfs/dbraw/zinc/75/37/43/836753743.db2.gz AQEQUMKMYHIFFV-KUWBRRTOSA-N 2 1 395.547 3.833 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000414252085 836753748 /nfs/dbraw/zinc/75/37/48/836753748.db2.gz AQEQUMKMYHIFFV-KUWBRRTOSA-N 2 1 395.547 3.833 20 0 GHADMP CC[C@@H](C(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000570369922 836760286 /nfs/dbraw/zinc/76/02/86/836760286.db2.gz BVXOFASYIZVVIL-UNMCSNQZSA-N 2 1 394.563 3.754 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431689751 836840056 /nfs/dbraw/zinc/84/00/56/836840056.db2.gz ZTSUCZQXAPSXLK-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000067222891 844206987 /nfs/dbraw/zinc/20/69/87/844206987.db2.gz JGAZHTKGHVLPAP-LJQANCHMSA-N 2 1 381.520 3.769 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000067222891 844206997 /nfs/dbraw/zinc/20/69/97/844206997.db2.gz JGAZHTKGHVLPAP-LJQANCHMSA-N 2 1 381.520 3.769 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000647497583 837061916 /nfs/dbraw/zinc/06/19/16/837061916.db2.gz MZTCYNRZSGEURX-DENIHFKCSA-N 2 1 375.520 3.553 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548490944 844236674 /nfs/dbraw/zinc/23/66/74/844236674.db2.gz XIVZPDHZLYEVEJ-TUSQITKMSA-N 2 1 393.575 3.560 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000659018130 837262670 /nfs/dbraw/zinc/26/26/70/837262670.db2.gz DZQNUQXMQBFVSP-OAQYLSRUSA-N 2 1 392.547 3.830 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000647532560 837339525 /nfs/dbraw/zinc/33/95/25/837339525.db2.gz DBIANQMMSLSFER-UPVQGACJSA-N 2 1 391.559 3.751 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000051650363 837979073 /nfs/dbraw/zinc/97/90/73/837979073.db2.gz QMHSHMHWFVAXCY-DEOSSOPVSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000535668604 844287024 /nfs/dbraw/zinc/28/70/24/844287024.db2.gz RRAICPXDYYQGTD-UHFFFAOYSA-N 2 1 378.314 3.640 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC[N@H+]1Cc1ccccc1 ZINC000659287430 838207279 /nfs/dbraw/zinc/20/72/79/838207279.db2.gz OHQYJNIVFQZNPF-YFXJRYMSSA-N 2 1 391.559 3.848 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000415906280 838260385 /nfs/dbraw/zinc/26/03/85/838260385.db2.gz WXJZXVJRSUDDKS-UHFFFAOYSA-N 2 1 380.536 3.578 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000415912454 838269288 /nfs/dbraw/zinc/26/92/88/838269288.db2.gz GZZIXOCZNHFBFB-NRFANRHFSA-N 2 1 398.576 3.535 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000415912454 838269295 /nfs/dbraw/zinc/26/92/95/838269295.db2.gz GZZIXOCZNHFBFB-NRFANRHFSA-N 2 1 398.576 3.535 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415962216 838320428 /nfs/dbraw/zinc/32/04/28/838320428.db2.gz WVENNBQEOBBENX-LJQANCHMSA-N 2 1 380.536 3.924 20 0 GHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970622 838339873 /nfs/dbraw/zinc/33/98/73/838339873.db2.gz FIWUUBBADJXTSY-NRFANRHFSA-N 2 1 380.536 3.740 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659380228 838344466 /nfs/dbraw/zinc/34/44/66/838344466.db2.gz BGDCJBCIFDXVIW-JTHBVZDNSA-N 2 1 389.543 3.640 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000659466147 838424194 /nfs/dbraw/zinc/42/41/94/838424194.db2.gz FWVFJFQNBDMIEY-UTKZUKDTSA-N 2 1 395.551 3.663 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000168507592 838538679 /nfs/dbraw/zinc/53/86/79/838538679.db2.gz WWBZHFJHYXGIKS-PTUXOGIPSA-N 2 1 379.548 3.978 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000416170706 838671072 /nfs/dbraw/zinc/67/10/72/838671072.db2.gz LTTBGFFEGYBTSW-GOSISDBHSA-N 2 1 388.515 3.806 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000416170706 838671074 /nfs/dbraw/zinc/67/10/74/838671074.db2.gz LTTBGFFEGYBTSW-GOSISDBHSA-N 2 1 388.515 3.806 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000610371621 838746542 /nfs/dbraw/zinc/74/65/42/838746542.db2.gz VFYCQGURHCWPAU-QFIPXVFZSA-N 2 1 387.612 3.853 20 0 GHADMP C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000378298025 838806392 /nfs/dbraw/zinc/80/63/92/838806392.db2.gz VYWFBDCRQKYEEK-UHFFFAOYSA-N 2 1 388.556 3.629 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000415015811 839064275 /nfs/dbraw/zinc/06/42/75/839064275.db2.gz NFYGMSPDACQZPU-KGLIPLIRSA-N 2 1 393.325 3.862 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000415064059 839140664 /nfs/dbraw/zinc/14/06/64/839140664.db2.gz BOOCVIUCFVRHJW-INIZCTEOSA-N 2 1 384.549 3.577 20 0 GHADMP CCC[N@H+](Cc1cnc2onc(C)c2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000894028417 844408370 /nfs/dbraw/zinc/40/83/70/844408370.db2.gz XVPPAOXKAFICOS-UHFFFAOYSA-N 2 1 394.523 3.819 20 0 GHADMP CCC[N@@H+](Cc1cnc2onc(C)c2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000894028417 844408376 /nfs/dbraw/zinc/40/83/76/844408376.db2.gz XVPPAOXKAFICOS-UHFFFAOYSA-N 2 1 394.523 3.819 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415100596 839205256 /nfs/dbraw/zinc/20/52/56/839205256.db2.gz AVJNTQLJEWHOSU-JOCHJYFZSA-N 2 1 394.494 3.536 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415100596 839205271 /nfs/dbraw/zinc/20/52/71/839205271.db2.gz AVJNTQLJEWHOSU-JOCHJYFZSA-N 2 1 394.494 3.536 20 0 GHADMP Cc1nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc2ccccc12 ZINC000377265284 839208009 /nfs/dbraw/zinc/20/80/09/839208009.db2.gz DVVJDHIJWBSJAP-UHFFFAOYSA-N 2 1 395.595 3.566 20 0 GHADMP Cc1nc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc2ccccc12 ZINC000377265284 839208021 /nfs/dbraw/zinc/20/80/21/839208021.db2.gz DVVJDHIJWBSJAP-UHFFFAOYSA-N 2 1 395.595 3.566 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000415107790 839219193 /nfs/dbraw/zinc/21/91/93/839219193.db2.gz LQTHDIJNYZKJOD-KGLIPLIRSA-N 2 1 393.778 3.882 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000378523939 839276785 /nfs/dbraw/zinc/27/67/85/839276785.db2.gz WGGARIJHUKAQMR-IBGZPJMESA-N 2 1 386.584 3.730 20 0 GHADMP C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378572619 839351052 /nfs/dbraw/zinc/35/10/52/839351052.db2.gz PLBPSYLLXZSUQE-RXVVDRJESA-N 2 1 376.504 3.779 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000580460852 839593757 /nfs/dbraw/zinc/59/37/57/839593757.db2.gz KBAZXGOUFLSEDZ-KMDXXIMOSA-N 2 1 385.596 3.520 20 0 GHADMP CN1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000580460852 839593772 /nfs/dbraw/zinc/59/37/72/839593772.db2.gz KBAZXGOUFLSEDZ-KMDXXIMOSA-N 2 1 385.596 3.520 20 0 GHADMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000580567741 839819978 /nfs/dbraw/zinc/81/99/78/839819978.db2.gz JOYMLUNQYJYLNI-XZOQPEGZSA-N 2 1 395.591 3.762 20 0 GHADMP CCC[N@@H+](C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580585634 839850504 /nfs/dbraw/zinc/85/05/04/839850504.db2.gz RVHHAORNAHWKRC-VZKPYBMVSA-N 2 1 377.960 3.712 20 0 GHADMP CCC[NH+](C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580585634 839850512 /nfs/dbraw/zinc/85/05/12/839850512.db2.gz RVHHAORNAHWKRC-VZKPYBMVSA-N 2 1 377.960 3.712 20 0 GHADMP CCC[NH+](C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580585634 839850522 /nfs/dbraw/zinc/85/05/22/839850522.db2.gz RVHHAORNAHWKRC-VZKPYBMVSA-N 2 1 377.960 3.712 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1CN(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262788 839913895 /nfs/dbraw/zinc/91/38/95/839913895.db2.gz ZGMOWCPSBZPTIW-KSSFIOAISA-N 2 1 391.357 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000656262788 839913900 /nfs/dbraw/zinc/91/39/00/839913900.db2.gz ZGMOWCPSBZPTIW-KSSFIOAISA-N 2 1 391.357 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000656262788 839913908 /nfs/dbraw/zinc/91/39/08/839913908.db2.gz ZGMOWCPSBZPTIW-KSSFIOAISA-N 2 1 391.357 3.715 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000530977505 839983429 /nfs/dbraw/zinc/98/34/29/839983429.db2.gz HVAUAXDEIHHZJK-FQEVSTJZSA-N 2 1 394.563 3.633 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126668461 840280839 /nfs/dbraw/zinc/28/08/39/840280839.db2.gz KXXAFOZADZRUHM-LNRIEFBSSA-N 2 1 379.932 3.671 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126668461 840280849 /nfs/dbraw/zinc/28/08/49/840280849.db2.gz KXXAFOZADZRUHM-LNRIEFBSSA-N 2 1 379.932 3.671 20 0 GHADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC[NH2+]CC1 ZINC000416969574 840325998 /nfs/dbraw/zinc/32/59/98/840325998.db2.gz BWKVWVBEJXSPCJ-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000416972984 840329563 /nfs/dbraw/zinc/32/95/63/840329563.db2.gz TUTBLRALNDQYGH-WMZHIEFXSA-N 2 1 398.595 3.592 20 0 GHADMP Cc1cc(C)n2c(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)cnc2n1 ZINC000093006808 840337985 /nfs/dbraw/zinc/33/79/85/840337985.db2.gz MWEAZZOLXANCLL-UHFFFAOYSA-N 2 1 377.536 3.690 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1)CC2 ZINC000473018588 840421036 /nfs/dbraw/zinc/42/10/36/840421036.db2.gz BBMNRBWWOAMICM-FCEUIQTBSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000473018588 840421043 /nfs/dbraw/zinc/42/10/43/840421043.db2.gz BBMNRBWWOAMICM-FCEUIQTBSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000473018588 840421051 /nfs/dbraw/zinc/42/10/51/840421051.db2.gz BBMNRBWWOAMICM-FCEUIQTBSA-N 2 1 386.584 3.554 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920888 840434018 /nfs/dbraw/zinc/43/40/18/840434018.db2.gz RISKWBISRZPTRH-FCHUYYIVSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920888 840434028 /nfs/dbraw/zinc/43/40/28/840434028.db2.gz RISKWBISRZPTRH-FCHUYYIVSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920888 840434034 /nfs/dbraw/zinc/43/40/34/840434034.db2.gz RISKWBISRZPTRH-FCHUYYIVSA-N 2 1 388.515 3.733 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1)CC(C)C ZINC000418548861 840452254 /nfs/dbraw/zinc/45/22/54/840452254.db2.gz CWLQQTQOEYBIBV-UHFFFAOYSA-N 2 1 386.584 3.579 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](C)C1 ZINC000364035492 840497875 /nfs/dbraw/zinc/49/78/75/840497875.db2.gz QGWZENFYSOEVAW-CUWPLCDZSA-N 2 1 386.584 3.682 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](C)C1 ZINC000364035492 840497880 /nfs/dbraw/zinc/49/78/80/840497880.db2.gz QGWZENFYSOEVAW-CUWPLCDZSA-N 2 1 386.584 3.682 20 0 GHADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799137 844551482 /nfs/dbraw/zinc/55/14/82/844551482.db2.gz UATMBIMWUDSWRS-GUYCJALGSA-N 2 1 384.305 3.816 20 0 GHADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(I)cc1 ZINC000610799859 844556154 /nfs/dbraw/zinc/55/61/54/844556154.db2.gz DHEJMBNKQSVXSP-MRXNPFEDSA-N 2 1 383.277 3.927 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@H](CC[NH3+])C1)C1CCCCC1 ZINC000417219544 840611502 /nfs/dbraw/zinc/61/15/02/840611502.db2.gz MKFNYDQKFJXVFB-LJQANCHMSA-N 2 1 386.584 3.722 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314990 840713997 /nfs/dbraw/zinc/71/39/97/840713997.db2.gz RSAYJCDAAAUKMF-NASSWSRMSA-N 2 1 397.588 3.727 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1(O)CCOCC1 ZINC000417375051 840803000 /nfs/dbraw/zinc/80/30/00/840803000.db2.gz BHEKWCFVRAGFIR-VSKRKVRLSA-N 2 1 386.580 3.587 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000512571369 844590583 /nfs/dbraw/zinc/59/05/83/844590583.db2.gz BAIRWHGNGALUQM-KNQAVFIVSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549475435 841049332 /nfs/dbraw/zinc/04/93/32/841049332.db2.gz FISDXOSPAAYCOL-YLJYHZDGSA-N 2 1 394.991 3.897 20 0 GHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653590 841059759 /nfs/dbraw/zinc/05/97/59/841059759.db2.gz BXWUUGJJDAWXOF-UPVQGACJSA-N 2 1 380.532 3.511 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653590 841059773 /nfs/dbraw/zinc/05/97/73/841059773.db2.gz BXWUUGJJDAWXOF-UPVQGACJSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653590 841059785 /nfs/dbraw/zinc/05/97/85/841059785.db2.gz BXWUUGJJDAWXOF-UPVQGACJSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653590 841059796 /nfs/dbraw/zinc/05/97/96/841059796.db2.gz BXWUUGJJDAWXOF-UPVQGACJSA-N 2 1 380.532 3.511 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660673941 841087141 /nfs/dbraw/zinc/08/71/41/841087141.db2.gz AQIKEVUXVBPSLU-OAQYLSRUSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000656493959 841144967 /nfs/dbraw/zinc/14/49/67/841144967.db2.gz PYXXCPMRKAWFKM-GMAHTHKFSA-N 2 1 393.575 3.914 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH2+]C2CCCCCC2)[C@H]1c1cccs1 ZINC000417744511 841172307 /nfs/dbraw/zinc/17/23/07/841172307.db2.gz YRYAJTUYLQGKJM-PXNSSMCTSA-N 2 1 392.613 3.743 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000661005483 841329335 /nfs/dbraw/zinc/32/93/35/841329335.db2.gz ZUUBLNPGYZFKMQ-ILWGZMRPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661005483 841329344 /nfs/dbraw/zinc/32/93/44/841329344.db2.gz ZUUBLNPGYZFKMQ-ILWGZMRPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661005483 841329351 /nfs/dbraw/zinc/32/93/51/841329351.db2.gz ZUUBLNPGYZFKMQ-ILWGZMRPSA-N 2 1 398.595 3.603 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C2CC[NH+](C)CC2)cc1OCC ZINC000500059350 841349760 /nfs/dbraw/zinc/34/97/60/841349760.db2.gz BJPZUEFZMZCILW-UHFFFAOYSA-N 2 1 385.346 3.820 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418016472 841386512 /nfs/dbraw/zinc/38/65/12/841386512.db2.gz ZXBLCXWKYOHHON-CCKFTAQKSA-N 2 1 398.954 3.820 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H](C)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418016472 841386518 /nfs/dbraw/zinc/38/65/18/841386518.db2.gz ZXBLCXWKYOHHON-CCKFTAQKSA-N 2 1 398.954 3.820 20 0 GHADMP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012102 841390154 /nfs/dbraw/zinc/39/01/54/841390154.db2.gz RQUMUOHSCJQZSP-AJSBUHFISA-N 2 1 394.563 3.676 20 0 GHADMP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012103 841390583 /nfs/dbraw/zinc/39/05/83/841390583.db2.gz RQUMUOHSCJQZSP-PMOQBDJRSA-N 2 1 394.563 3.676 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000500090079 841407303 /nfs/dbraw/zinc/40/73/03/841407303.db2.gz OIOIVAVNOVUSAK-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@H](C)C1 ZINC000651710243 841409612 /nfs/dbraw/zinc/40/96/12/841409612.db2.gz VOFHRDDUSPTZKB-AUSIDOKSSA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@H](C)C1 ZINC000651710243 841409621 /nfs/dbraw/zinc/40/96/21/841409621.db2.gz VOFHRDDUSPTZKB-AUSIDOKSSA-N 2 1 384.568 3.716 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc1 ZINC000418251466 841690390 /nfs/dbraw/zinc/69/03/90/841690390.db2.gz WPKQOXUKCMALHK-GOSISDBHSA-N 2 1 380.536 3.560 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430628067 841890610 /nfs/dbraw/zinc/89/06/10/841890610.db2.gz NDABWBATFTXSSS-UHFFFAOYSA-N 2 1 376.504 3.732 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430628067 841890613 /nfs/dbraw/zinc/89/06/13/841890613.db2.gz NDABWBATFTXSSS-UHFFFAOYSA-N 2 1 376.504 3.732 20 0 GHADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000581660981 841930910 /nfs/dbraw/zinc/93/09/10/841930910.db2.gz SISHRRKQRYCJSL-FUBOCBINSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000430649615 842104327 /nfs/dbraw/zinc/10/43/27/842104327.db2.gz JGFGNDZRFLLZPD-LJQANCHMSA-N 2 1 390.531 3.979 20 0 GHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000430649615 842104333 /nfs/dbraw/zinc/10/43/33/842104333.db2.gz JGFGNDZRFLLZPD-LJQANCHMSA-N 2 1 390.531 3.979 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CCCO1 ZINC000432362614 842178621 /nfs/dbraw/zinc/17/86/21/842178621.db2.gz NDDRQPJKAZMMPU-HXUWFJFHSA-N 2 1 396.579 3.816 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CCCO1 ZINC000432362614 842178622 /nfs/dbraw/zinc/17/86/22/842178622.db2.gz NDDRQPJKAZMMPU-HXUWFJFHSA-N 2 1 396.579 3.816 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCO1 ZINC000432369601 842221452 /nfs/dbraw/zinc/22/14/52/842221452.db2.gz QZFVXWOVTMXAQM-AWEZNQCLSA-N 2 1 385.335 3.860 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCO1 ZINC000432369601 842221463 /nfs/dbraw/zinc/22/14/63/842221463.db2.gz QZFVXWOVTMXAQM-AWEZNQCLSA-N 2 1 385.335 3.860 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCCOC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833974 842224744 /nfs/dbraw/zinc/22/47/44/842224744.db2.gz GVTBBOJGURXPBC-UXHICEINSA-N 2 1 399.620 3.845 20 0 GHADMP CN(c1nc2cccc(OC(F)F)c2s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000663590616 842264336 /nfs/dbraw/zinc/26/43/36/842264336.db2.gz BMBCKBFGVDDCRU-CQSZACIVSA-N 2 1 396.507 3.502 20 0 GHADMP CN(c1nc2cccc(OC(F)F)c2s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000663590616 842264340 /nfs/dbraw/zinc/26/43/40/842264340.db2.gz BMBCKBFGVDDCRU-CQSZACIVSA-N 2 1 396.507 3.502 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652335228 842270408 /nfs/dbraw/zinc/27/04/08/842270408.db2.gz YYSASXKHKPMFGQ-IIZPIQPGSA-N 2 1 377.532 3.548 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000652347116 842316222 /nfs/dbraw/zinc/31/62/22/842316222.db2.gz SAEDULVDYSSMFH-WDYCEAGBSA-N 2 1 375.900 3.713 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001167839592 842349250 /nfs/dbraw/zinc/34/92/50/842349250.db2.gz ANRSLFSCXOWQBN-QUCCMNQESA-N 2 1 380.598 3.780 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cncc(OCc3ccccc3)c2)C1 ZINC000652364030 842372447 /nfs/dbraw/zinc/37/24/47/842372447.db2.gz VRIBOKNZALZGRI-YMPZKCBVSA-N 2 1 381.520 3.521 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000432409644 842401066 /nfs/dbraw/zinc/40/10/66/842401066.db2.gz HQIPVFRKTSHDSH-LMNJBCLMSA-N 2 1 378.532 3.951 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000432409644 842401073 /nfs/dbraw/zinc/40/10/73/842401073.db2.gz HQIPVFRKTSHDSH-LMNJBCLMSA-N 2 1 378.532 3.951 20 0 GHADMP C[C@H]1C[N@@H+](CCCN[C@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411685 842406808 /nfs/dbraw/zinc/40/68/08/842406808.db2.gz ABQDZLVPCOGFCG-GUYCJALGSA-N 2 1 385.321 3.666 20 0 GHADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000430672660 842448363 /nfs/dbraw/zinc/44/83/63/842448363.db2.gz VTBPPLBRQDTOMR-KRWDZBQOSA-N 2 1 377.598 3.506 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512087620 842454734 /nfs/dbraw/zinc/45/47/34/842454734.db2.gz JWVRLLSGEBMERU-HNNXBMFYSA-N 2 1 388.419 3.887 20 0 GHADMP C[C@H]([NH2+]Cc1cc(Br)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000573437040 842850276 /nfs/dbraw/zinc/85/02/76/842850276.db2.gz NBUYIGRXPLMVON-WDEREUQCSA-N 2 1 376.136 3.689 20 0 GHADMP C[C@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000673671152 861357845 /nfs/dbraw/zinc/35/78/45/861357845.db2.gz UXXWCHMHOUWVHF-FQEVSTJZSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H](c1nc2ccccc2s1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662263565 843032087 /nfs/dbraw/zinc/03/20/87/843032087.db2.gz NIVNGBFJIUPHNU-KRWDZBQOSA-N 2 1 392.572 3.821 20 0 GHADMP COc1cc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213840 843108639 /nfs/dbraw/zinc/10/86/39/843108639.db2.gz UHHZLNIFVVZEQT-ROUUACIJSA-N 2 1 376.541 3.799 20 0 GHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)c1 ZINC000430941373 843218655 /nfs/dbraw/zinc/21/86/55/843218655.db2.gz WFKIGNHSJMELCW-MRXNPFEDSA-N 2 1 386.565 3.500 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000512258129 843246972 /nfs/dbraw/zinc/24/69/72/843246972.db2.gz CGMOKSDQGNPKNC-UHFFFAOYSA-N 2 1 390.553 3.786 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000236853719 843306231 /nfs/dbraw/zinc/30/62/31/843306231.db2.gz XJPAUUFRDSBXIJ-KRWDZBQOSA-N 2 1 395.526 3.705 20 0 GHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccc(F)cc1 ZINC000512284952 843317864 /nfs/dbraw/zinc/31/78/64/843317864.db2.gz DVHGVYJEIAAHIZ-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1ccc(F)cc1 ZINC000512284952 843317876 /nfs/dbraw/zinc/31/78/76/843317876.db2.gz DVHGVYJEIAAHIZ-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1ccc(F)cc1 ZINC000512284952 843317889 /nfs/dbraw/zinc/31/78/89/843317889.db2.gz DVHGVYJEIAAHIZ-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432654861 843365410 /nfs/dbraw/zinc/36/54/10/843365410.db2.gz JGIMSRICLPMKAF-MJGOQNOKSA-N 2 1 377.598 3.585 20 0 GHADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432654861 843365421 /nfs/dbraw/zinc/36/54/21/843365421.db2.gz JGIMSRICLPMKAF-MJGOQNOKSA-N 2 1 377.598 3.585 20 0 GHADMP C[NH2+][C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1cccc(Cl)c1Cl ZINC000662519734 843386424 /nfs/dbraw/zinc/38/64/24/843386424.db2.gz YHIBYIQBIIVWJZ-OAHLLOKOSA-N 2 1 399.347 3.816 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432669197 843392210 /nfs/dbraw/zinc/39/22/10/843392210.db2.gz OYVOTUYZBGRIBB-DYESRHJHSA-N 2 1 395.572 3.670 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432669197 843392223 /nfs/dbraw/zinc/39/22/23/843392223.db2.gz OYVOTUYZBGRIBB-DYESRHJHSA-N 2 1 395.572 3.670 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)CC1 ZINC000662675195 843513752 /nfs/dbraw/zinc/51/37/52/843513752.db2.gz KKSNLOKZNJZZFZ-NRFANRHFSA-N 2 1 387.474 3.513 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663439476 843582343 /nfs/dbraw/zinc/58/23/43/843582343.db2.gz PCNTYLJNHXKUSP-QGZVFWFLSA-N 2 1 399.398 3.813 20 0 GHADMP CCc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000555617833 861438564 /nfs/dbraw/zinc/43/85/64/861438564.db2.gz XHTOBBXONJLVOA-LJQANCHMSA-N 2 1 385.577 3.724 20 0 GHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000663464881 843660274 /nfs/dbraw/zinc/66/02/74/843660274.db2.gz GPASLHIVUFYUSK-PKOBYXMFSA-N 2 1 376.541 3.875 20 0 GHADMP CCC(=O)c1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000471931449 843660320 /nfs/dbraw/zinc/66/03/20/843660320.db2.gz SKUWFPYUXZXEHO-UHFFFAOYSA-N 2 1 399.579 3.548 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412754 843725376 /nfs/dbraw/zinc/72/53/76/843725376.db2.gz RBRSHHFERZIOBZ-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2c1cnn2CC1CC1 ZINC001167822454 843730967 /nfs/dbraw/zinc/73/09/67/843730967.db2.gz HZTRDSQFZKJKRN-AZUAARDMSA-N 2 1 376.589 3.739 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000178991834 861450117 /nfs/dbraw/zinc/45/01/17/861450117.db2.gz XWLXMFSCDKPRNK-ZJOUEHCJSA-N 2 1 398.576 3.630 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000500610792 843732314 /nfs/dbraw/zinc/73/23/14/843732314.db2.gz QXLALDHEUVVQCM-DWQJTFDBSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182401449 843735944 /nfs/dbraw/zinc/73/59/44/843735944.db2.gz JPKZNKVQFGTTBS-RTBURBONSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401449 843735949 /nfs/dbraw/zinc/73/59/49/843735949.db2.gz JPKZNKVQFGTTBS-RTBURBONSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401449 843735958 /nfs/dbraw/zinc/73/59/58/843735958.db2.gz JPKZNKVQFGTTBS-RTBURBONSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182408512 843737502 /nfs/dbraw/zinc/73/75/02/843737502.db2.gz JBLWWUHDJYFIGU-SLFFLAALSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182408512 843737512 /nfs/dbraw/zinc/73/75/12/843737512.db2.gz JBLWWUHDJYFIGU-SLFFLAALSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182408512 843737522 /nfs/dbraw/zinc/73/75/22/843737522.db2.gz JBLWWUHDJYFIGU-SLFFLAALSA-N 2 1 378.605 3.593 20 0 GHADMP COC(=O)c1cc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199830 843823553 /nfs/dbraw/zinc/82/35/53/843823553.db2.gz MXRAGOYNCLXOJI-VDGAXYAQSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199830 843823567 /nfs/dbraw/zinc/82/35/67/843823567.db2.gz MXRAGOYNCLXOJI-VDGAXYAQSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199830 843823573 /nfs/dbraw/zinc/82/35/73/843823573.db2.gz MXRAGOYNCLXOJI-VDGAXYAQSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199830 843823576 /nfs/dbraw/zinc/82/35/76/843823576.db2.gz MXRAGOYNCLXOJI-VDGAXYAQSA-N 2 1 382.504 3.890 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179056471 861462953 /nfs/dbraw/zinc/46/29/53/861462953.db2.gz CMFYTERHGOMHME-QHCPKHFHSA-N 2 1 393.575 3.783 20 0 GHADMP COc1cc(C[NH+](C(C)C)[C@@H]2CCOC2)cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000433209351 843870967 /nfs/dbraw/zinc/87/09/67/843870967.db2.gz RENVYFQBOCHMLN-SZPZYZBQSA-N 2 1 390.568 3.694 20 0 GHADMP COc1cc(C[NH+](C(C)C)[C@H]2CCOC2)cc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000433209351 843870978 /nfs/dbraw/zinc/87/09/78/843870978.db2.gz RENVYFQBOCHMLN-SZPZYZBQSA-N 2 1 390.568 3.694 20 0 GHADMP COc1cc(C[NH+](C(C)C)[C@H]2CCOC2)cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000433209351 843870992 /nfs/dbraw/zinc/87/09/92/843870992.db2.gz RENVYFQBOCHMLN-SZPZYZBQSA-N 2 1 390.568 3.694 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000237422318 843940010 /nfs/dbraw/zinc/94/00/10/843940010.db2.gz NMHHOZZZINYCFS-SFHVURJKSA-N 2 1 386.503 3.865 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477941 843958494 /nfs/dbraw/zinc/95/84/94/843958494.db2.gz AQPAFYZHVJIMCT-OZXSUGGESA-N 2 1 389.587 3.684 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)(C)C ZINC000522479845 861486949 /nfs/dbraw/zinc/48/69/49/861486949.db2.gz QMPLSMIQOMROMM-UYAOXDASSA-N 2 1 377.548 3.520 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000468984686 844750873 /nfs/dbraw/zinc/75/08/73/844750873.db2.gz LYQIGGKPTOUAQX-GPMSIDNRSA-N 2 1 391.357 3.534 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000468984686 844750880 /nfs/dbraw/zinc/75/08/80/844750880.db2.gz LYQIGGKPTOUAQX-GPMSIDNRSA-N 2 1 391.357 3.534 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)c(F)c1 ZINC000246570031 844847879 /nfs/dbraw/zinc/84/78/79/844847879.db2.gz MABBUIFTFVRFOW-HNAYVOBHSA-N 2 1 387.474 3.513 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000663927452 844998310 /nfs/dbraw/zinc/99/83/10/844998310.db2.gz YVVMPOBCXVNTRR-XMMPIXPASA-N 2 1 375.516 3.768 20 0 GHADMP C[C@H]1C[C@@H](CCNc2cc(N3CCSCC3)ncn2)C[N@H+]1Cc1ccccc1 ZINC000433765394 845330074 /nfs/dbraw/zinc/33/00/74/845330074.db2.gz HUHQFOPCJWIRTG-AZUAARDMSA-N 2 1 397.592 3.742 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000318963254 845433739 /nfs/dbraw/zinc/43/37/39/845433739.db2.gz CWKYZDJETIUHRP-GFCCVEGCSA-N 2 1 381.236 3.779 20 0 GHADMP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)CC1 ZINC000433127217 845460753 /nfs/dbraw/zinc/46/07/53/845460753.db2.gz RNMWRIHMGRESTH-UHFFFAOYSA-N 2 1 395.482 3.511 20 0 GHADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503723 845520210 /nfs/dbraw/zinc/52/02/10/845520210.db2.gz CWHGMKMQUGXQKM-IRLDBZIGSA-N 2 1 385.552 3.594 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503723 845520248 /nfs/dbraw/zinc/52/02/48/845520248.db2.gz CWHGMKMQUGXQKM-IRLDBZIGSA-N 2 1 385.552 3.594 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503723 845520258 /nfs/dbraw/zinc/52/02/58/845520258.db2.gz CWHGMKMQUGXQKM-IRLDBZIGSA-N 2 1 385.552 3.594 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503723 845520267 /nfs/dbraw/zinc/52/02/67/845520267.db2.gz CWHGMKMQUGXQKM-IRLDBZIGSA-N 2 1 385.552 3.594 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000513488607 845521459 /nfs/dbraw/zinc/52/14/59/845521459.db2.gz YIPSNTMLCJPMBE-YLJYHZDGSA-N 2 1 377.536 3.667 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513495343 845528040 /nfs/dbraw/zinc/52/80/40/845528040.db2.gz OLOKZAURHOGWPK-ICSRJNTNSA-N 2 1 375.520 3.862 20 0 GHADMP CC(C)C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000509931408 845598950 /nfs/dbraw/zinc/59/89/50/845598950.db2.gz RPRBBINUNYVVOD-QUCCMNQESA-N 2 1 399.501 3.534 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000664211767 845710931 /nfs/dbraw/zinc/71/09/31/845710931.db2.gz DYXZRZIJQJPNMT-WMZOPIPTSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000664211767 845710937 /nfs/dbraw/zinc/71/09/37/845710937.db2.gz DYXZRZIJQJPNMT-WMZOPIPTSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000664211767 845710942 /nfs/dbraw/zinc/71/09/42/845710942.db2.gz DYXZRZIJQJPNMT-WMZOPIPTSA-N 2 1 380.602 3.551 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1Br ZINC000157099548 845847583 /nfs/dbraw/zinc/84/75/83/845847583.db2.gz GTAVKFCUSMFONR-INIZCTEOSA-N 2 1 394.357 3.728 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262041012 845876711 /nfs/dbraw/zinc/87/67/11/845876711.db2.gz PCADKKAYDNXUKD-UHFFFAOYSA-N 2 1 375.257 3.626 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccc1OCc1ccncc1 ZINC000105457034 845995701 /nfs/dbraw/zinc/99/57/01/845995701.db2.gz JTGDGFNXGDIKEZ-NRFANRHFSA-N 2 1 383.536 3.879 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC000511058328 846139478 /nfs/dbraw/zinc/13/94/78/846139478.db2.gz FONNTECOXOSFDZ-QFIPXVFZSA-N 2 1 393.522 3.537 20 0 GHADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1Oc1cccnc1 ZINC000513642971 846205569 /nfs/dbraw/zinc/20/55/69/846205569.db2.gz QHDLWHKTZWLNBN-QFIPXVFZSA-N 2 1 394.563 3.784 20 0 GHADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1Oc1cccnc1 ZINC000513642971 846205573 /nfs/dbraw/zinc/20/55/73/846205573.db2.gz QHDLWHKTZWLNBN-QFIPXVFZSA-N 2 1 394.563 3.784 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1F ZINC000657329067 846258802 /nfs/dbraw/zinc/25/88/02/846258802.db2.gz IVUXZUHACAREAF-HXUWFJFHSA-N 2 1 381.451 3.777 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000548673342 846304879 /nfs/dbraw/zinc/30/48/79/846304879.db2.gz JVUXJWFJDHVHBW-OTNPHJDUSA-N 2 1 396.535 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC[N@H+]1Cc1ccccc1 ZINC000548673342 846304888 /nfs/dbraw/zinc/30/48/88/846304888.db2.gz JVUXJWFJDHVHBW-OTNPHJDUSA-N 2 1 396.535 3.810 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000502766751 846445014 /nfs/dbraw/zinc/44/50/14/846445014.db2.gz IHVDLSGTDKDRNY-ITAUSPCMSA-N 2 1 392.632 3.697 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000501023809 846558494 /nfs/dbraw/zinc/55/84/94/846558494.db2.gz AARPDQIBFJYSEJ-NRFANRHFSA-N 2 1 398.938 3.689 20 0 GHADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501049209 846577344 /nfs/dbraw/zinc/57/73/44/846577344.db2.gz UFKDYDICQITRPT-SFHVURJKSA-N 2 1 380.536 3.819 20 0 GHADMP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085825 846629041 /nfs/dbraw/zinc/62/90/41/846629041.db2.gz IKVFFEDSPRRHGO-IBGZPJMESA-N 2 1 392.547 3.598 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501091260 846632480 /nfs/dbraw/zinc/63/24/80/846632480.db2.gz VAKDULJDTWQZKS-GOSISDBHSA-N 2 1 398.526 3.589 20 0 GHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000502966209 846670756 /nfs/dbraw/zinc/67/07/56/846670756.db2.gz GRWVCVQQNGUAST-WOJBJXKFSA-N 2 1 396.579 3.936 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657399365 846952387 /nfs/dbraw/zinc/95/23/87/846952387.db2.gz IBRCDNPREZBUEE-FCHUYYIVSA-N 2 1 399.510 3.871 20 0 GHADMP CSc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501495337 846964658 /nfs/dbraw/zinc/96/46/58/846964658.db2.gz NXTOXRSYDFLRGM-QWFCFKBJSA-N 2 1 397.588 3.838 20 0 GHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420354945 847136066 /nfs/dbraw/zinc/13/60/66/847136066.db2.gz DQIWPPJSQLRINA-SJORKVTESA-N 2 1 384.351 3.635 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000501811582 847192553 /nfs/dbraw/zinc/19/25/53/847192553.db2.gz HNWJNPWZZQXURG-SFHVURJKSA-N 2 1 393.547 3.532 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000272902211 847203059 /nfs/dbraw/zinc/20/30/59/847203059.db2.gz KKJJUKZYGWUUNK-GCJKJVERSA-N 2 1 395.547 3.552 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000501802875 847203540 /nfs/dbraw/zinc/20/35/40/847203540.db2.gz GGAZXSBNAFOJRU-KRWDZBQOSA-N 2 1 395.975 3.737 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511124374 847221246 /nfs/dbraw/zinc/22/12/46/847221246.db2.gz SQCARNSNEWHAKZ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511124374 847221249 /nfs/dbraw/zinc/22/12/49/847221249.db2.gz SQCARNSNEWHAKZ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511124374 847221254 /nfs/dbraw/zinc/22/12/54/847221254.db2.gz SQCARNSNEWHAKZ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000277625358 847320181 /nfs/dbraw/zinc/32/01/81/847320181.db2.gz XJCFOTKTAAOICD-OAQYLSRUSA-N 2 1 375.520 3.850 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000277625358 847320190 /nfs/dbraw/zinc/32/01/90/847320190.db2.gz XJCFOTKTAAOICD-OAQYLSRUSA-N 2 1 375.520 3.850 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000420891818 847535069 /nfs/dbraw/zinc/53/50/69/847535069.db2.gz NLTVXNHHZWMISI-SBOSXTITSA-N 2 1 398.595 3.555 20 0 GHADMP Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420925073 847545406 /nfs/dbraw/zinc/54/54/06/847545406.db2.gz VJHOBHGWPCWCEQ-VXKWHMMOSA-N 2 1 386.923 3.792 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000420936741 847556915 /nfs/dbraw/zinc/55/69/15/847556915.db2.gz KUWALTCHRCPCSR-DEOSSOPVSA-N 2 1 396.531 3.777 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503417407 847681667 /nfs/dbraw/zinc/68/16/67/847681667.db2.gz CMBORUDDCMTFDX-MBDNFAEBSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000503532815 847782748 /nfs/dbraw/zinc/78/27/48/847782748.db2.gz DDSHMAFSCQRFHM-NRFANRHFSA-N 2 1 375.557 3.746 20 0 GHADMP COc1ccc([C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422962521 847905239 /nfs/dbraw/zinc/90/52/39/847905239.db2.gz FYYBVPOMQRQVIU-GIWBLDEGSA-N 2 1 383.536 3.898 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502475658 847931570 /nfs/dbraw/zinc/93/15/70/847931570.db2.gz KXWQNRCNHBIQEU-FDDCHVKYSA-N 2 1 382.552 3.806 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000657544059 848158049 /nfs/dbraw/zinc/15/80/49/848158049.db2.gz LRQXKJZQROGFIP-QHCPKHFHSA-N 2 1 377.532 3.610 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000657544059 848158054 /nfs/dbraw/zinc/15/80/54/848158054.db2.gz LRQXKJZQROGFIP-QHCPKHFHSA-N 2 1 377.532 3.610 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000118773007 848247556 /nfs/dbraw/zinc/24/75/56/848247556.db2.gz RXIASAWWQSKERL-UHFFFAOYSA-N 2 1 382.552 3.945 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657593694 848286020 /nfs/dbraw/zinc/28/60/20/848286020.db2.gz BLYYUPSYGGLXDM-XMSQKQJNSA-N 2 1 398.547 3.729 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000078804613 848678437 /nfs/dbraw/zinc/67/84/37/848678437.db2.gz MYSZIAGNMKEXBL-MRXNPFEDSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000078804613 848678447 /nfs/dbraw/zinc/67/84/47/848678447.db2.gz MYSZIAGNMKEXBL-MRXNPFEDSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000472276005 848903053 /nfs/dbraw/zinc/90/30/53/848903053.db2.gz KOUXTEWTJWRLNY-QAPCUYQASA-N 2 1 392.931 3.884 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000472276005 848903061 /nfs/dbraw/zinc/90/30/61/848903061.db2.gz KOUXTEWTJWRLNY-QAPCUYQASA-N 2 1 392.931 3.884 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)OCCO4)CC2)oc1C ZINC000162756630 849426929 /nfs/dbraw/zinc/42/69/29/849426929.db2.gz KEYXHQZDRZZVTL-INIZCTEOSA-N 2 1 385.508 3.625 20 0 GHADMP COc1ccc(Oc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000657752820 849658440 /nfs/dbraw/zinc/65/84/40/849658440.db2.gz SBWKOOQBFDJDOA-FQEVSTJZSA-N 2 1 382.504 3.830 20 0 GHADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(I)cc1 ZINC000423183953 849775563 /nfs/dbraw/zinc/77/55/63/849775563.db2.gz HAFJSWFHOFXGND-CQSZACIVSA-N 2 1 395.288 3.517 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH2+]Cc3cccnc3)[C@@H]3CCC[C@H]32)cc1 ZINC000423180256 849788847 /nfs/dbraw/zinc/78/88/47/849788847.db2.gz AONXGRGLLQJAOX-KMDXXIMOSA-N 2 1 378.564 3.594 20 0 GHADMP Brc1ccccc1C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CC1 ZINC000423189876 849797489 /nfs/dbraw/zinc/79/74/89/849797489.db2.gz QEBZRNAPWOVOEK-FQEVSTJZSA-N 2 1 388.353 3.935 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000423326042 849867254 /nfs/dbraw/zinc/86/72/54/849867254.db2.gz JBNYQDNGOFYAHZ-NVVBAYIOSA-N 2 1 378.520 3.628 20 0 GHADMP CC(C)(C)C1=CC[N@@H+](CCNC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000425251324 849926508 /nfs/dbraw/zinc/92/65/08/849926508.db2.gz FIYDPWXNPKJJCL-HXUWFJFHSA-N 2 1 380.536 3.726 20 0 GHADMP Brc1ccccc1-c1nc2c(s1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423430156 849927097 /nfs/dbraw/zinc/92/70/97/849927097.db2.gz KQCNGEKSWAFHBX-FIRUKDTASA-N 2 1 390.350 3.757 20 0 GHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCC2 ZINC000423499468 849943650 /nfs/dbraw/zinc/94/36/50/849943650.db2.gz AZMCHLFAFLRNED-BBHUYCHWSA-N 2 1 383.580 3.585 20 0 GHADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423501715 849945473 /nfs/dbraw/zinc/94/54/73/849945473.db2.gz BSQIGWCZEFXSHZ-VNXZQDSDSA-N 2 1 398.982 3.825 20 0 GHADMP Brc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510818 849960237 /nfs/dbraw/zinc/96/02/37/849960237.db2.gz OGCROEDRIMSKQZ-QLOJAFMTSA-N 2 1 392.385 3.633 20 0 GHADMP Cc1c([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000423552504 849978962 /nfs/dbraw/zinc/97/89/62/849978962.db2.gz GLFDPPOLGJPOSU-SFHVURJKSA-N 2 1 383.584 3.591 20 0 GHADMP C[C@@H]1CC2(CN1C(=O)c1cccc(C[N@@H+](C)Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000424235763 850304053 /nfs/dbraw/zinc/30/40/53/850304053.db2.gz LCOQTDSISWIMKK-HXUWFJFHSA-N 2 1 391.559 3.923 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302585 850343546 /nfs/dbraw/zinc/34/35/46/850343546.db2.gz ZYSXVWAHTOVIEZ-INIZCTEOSA-N 2 1 381.520 3.684 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302587 850344598 /nfs/dbraw/zinc/34/45/98/850344598.db2.gz ZYSXVWAHTOVIEZ-MRXNPFEDSA-N 2 1 381.520 3.684 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000669714391 862124893 /nfs/dbraw/zinc/12/48/93/862124893.db2.gz BEFLBHMJZXHJNE-HXUWFJFHSA-N 2 1 382.552 3.539 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000487109796 850463603 /nfs/dbraw/zinc/46/36/03/850463603.db2.gz PFJCYKGGAAEVHS-QHCPKHFHSA-N 2 1 391.559 3.577 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822467 850471576 /nfs/dbraw/zinc/47/15/76/850471576.db2.gz PNFWQUIJAFYGDH-PXNSSMCTSA-N 2 1 376.520 3.534 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822467 850471580 /nfs/dbraw/zinc/47/15/80/850471580.db2.gz PNFWQUIJAFYGDH-PXNSSMCTSA-N 2 1 376.520 3.534 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822467 850471585 /nfs/dbraw/zinc/47/15/85/850471585.db2.gz PNFWQUIJAFYGDH-PXNSSMCTSA-N 2 1 376.520 3.534 20 0 GHADMP COCCOc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435430903 850514426 /nfs/dbraw/zinc/51/44/26/850514426.db2.gz FUICFMJIRMTVJV-OAQYLSRUSA-N 2 1 386.561 3.918 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439958445 850629695 /nfs/dbraw/zinc/62/96/95/850629695.db2.gz GUHBAPUODUPSNM-MWWJCJHHSA-N 2 1 381.564 3.705 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439958445 850629701 /nfs/dbraw/zinc/62/97/01/850629701.db2.gz GUHBAPUODUPSNM-MWWJCJHHSA-N 2 1 381.564 3.705 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439958445 850629707 /nfs/dbraw/zinc/62/97/07/850629707.db2.gz GUHBAPUODUPSNM-MWWJCJHHSA-N 2 1 381.564 3.705 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965892 850713150 /nfs/dbraw/zinc/71/31/50/850713150.db2.gz PMPUUYLSGVTKIM-BGVWBIDGSA-N 2 1 395.563 3.577 20 0 GHADMP c1cc2n(n1)C[C@@H](C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)CN2 ZINC000673931481 862169218 /nfs/dbraw/zinc/16/92/18/862169218.db2.gz FXVGUGWZNOGAGX-QHCPKHFHSA-N 2 1 389.547 3.607 20 0 GHADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)cc(Br)c1OC(F)F ZINC000414833339 850857472 /nfs/dbraw/zinc/85/74/72/850857472.db2.gz AIALJEOKBGBBKT-UHFFFAOYSA-N 2 1 393.272 3.810 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435865920 850940364 /nfs/dbraw/zinc/94/03/64/850940364.db2.gz DUBSCJVHLAJWMP-PMACEKPBSA-N 2 1 388.556 3.513 20 0 GHADMP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)c2ccccc2C1 ZINC000505418376 851079100 /nfs/dbraw/zinc/07/91/00/851079100.db2.gz AYAJBLFGMCKDPE-FQEVSTJZSA-N 2 1 381.495 3.516 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)c2ccccc2C1 ZINC000505418376 851079105 /nfs/dbraw/zinc/07/91/05/851079105.db2.gz AYAJBLFGMCKDPE-FQEVSTJZSA-N 2 1 381.495 3.516 20 0 GHADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c2ccccc2C1 ZINC000505418376 851079110 /nfs/dbraw/zinc/07/91/10/851079110.db2.gz AYAJBLFGMCKDPE-FQEVSTJZSA-N 2 1 381.495 3.516 20 0 GHADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc2C1 ZINC000505418376 851079116 /nfs/dbraw/zinc/07/91/16/851079116.db2.gz AYAJBLFGMCKDPE-FQEVSTJZSA-N 2 1 381.495 3.516 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425451201 851146931 /nfs/dbraw/zinc/14/69/31/851146931.db2.gz ZXIITEAXOQOJRV-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000488102734 851154527 /nfs/dbraw/zinc/15/45/27/851154527.db2.gz HNXXXSUQSIUBTH-DEOSSOPVSA-N 2 1 398.595 3.688 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)C1CCCCC1 ZINC000488102734 851154532 /nfs/dbraw/zinc/15/45/32/851154532.db2.gz HNXXXSUQSIUBTH-DEOSSOPVSA-N 2 1 398.595 3.688 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)C1CCCCC1 ZINC000488102734 851154538 /nfs/dbraw/zinc/15/45/38/851154538.db2.gz HNXXXSUQSIUBTH-DEOSSOPVSA-N 2 1 398.595 3.688 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488178248 851230483 /nfs/dbraw/zinc/23/04/83/851230483.db2.gz GVRTVPNATGCOLF-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000514161442 851316574 /nfs/dbraw/zinc/31/65/74/851316574.db2.gz AMWOUBQAXSHPOD-QZTJIDSGSA-N 2 1 392.613 3.695 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000550079415 851425024 /nfs/dbraw/zinc/42/50/24/851425024.db2.gz KMKQFOYNVHLWSA-UGKGYDQZSA-N 2 1 388.552 3.511 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000048816553 851498232 /nfs/dbraw/zinc/49/82/32/851498232.db2.gz MXADMLJOYMBDFK-HDICACEKSA-N 2 1 384.520 3.603 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000488450704 851520612 /nfs/dbraw/zinc/52/06/12/851520612.db2.gz MJLTXELQJCXWGF-LJQANCHMSA-N 2 1 383.580 3.550 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000550126593 851694281 /nfs/dbraw/zinc/69/42/81/851694281.db2.gz SFQMVGPIWJBTFV-QGZVFWFLSA-N 2 1 377.960 3.685 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000475035097 862279892 /nfs/dbraw/zinc/27/98/92/862279892.db2.gz UOLDEFJWLUORGP-PKTZIBPZSA-N 2 1 377.532 3.557 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473734377 851790264 /nfs/dbraw/zinc/79/02/64/851790264.db2.gz JZAUCVHXVGXBGJ-XKYYZAJSSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473734377 851790268 /nfs/dbraw/zinc/79/02/68/851790268.db2.gz JZAUCVHXVGXBGJ-XKYYZAJSSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473734377 851790277 /nfs/dbraw/zinc/79/02/77/851790277.db2.gz JZAUCVHXVGXBGJ-XKYYZAJSSA-N 2 1 398.595 3.869 20 0 GHADMP CC1(C)C[N@@H+](Cc2cnc3n2CCOC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000894683026 851900755 /nfs/dbraw/zinc/90/07/55/851900755.db2.gz JAFRESMCWHEVCM-QHCPKHFHSA-N 2 1 394.563 3.536 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000438071704 851987329 /nfs/dbraw/zinc/98/73/29/851987329.db2.gz HHTVAYQGXXHZPI-FGZHOGPDSA-N 2 1 394.515 3.769 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000438071704 851987333 /nfs/dbraw/zinc/98/73/33/851987333.db2.gz HHTVAYQGXXHZPI-FGZHOGPDSA-N 2 1 394.515 3.769 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000550227717 852053152 /nfs/dbraw/zinc/05/31/52/852053152.db2.gz JDOQVAASKVLKSV-OFNKIYASSA-N 2 1 379.548 3.666 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000550227717 852053160 /nfs/dbraw/zinc/05/31/60/852053160.db2.gz JDOQVAASKVLKSV-OFNKIYASSA-N 2 1 379.548 3.666 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982846 852131090 /nfs/dbraw/zinc/13/10/90/852131090.db2.gz CLUHLLSEIJIHKG-HJKBJPMPSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982846 852131096 /nfs/dbraw/zinc/13/10/96/852131096.db2.gz CLUHLLSEIJIHKG-HJKBJPMPSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982846 852131097 /nfs/dbraw/zinc/13/10/97/852131097.db2.gz CLUHLLSEIJIHKG-HJKBJPMPSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000516182626 852228113 /nfs/dbraw/zinc/22/81/13/852228113.db2.gz BFYCEOCAZNCQAP-KRWDZBQOSA-N 2 1 377.330 3.711 20 0 GHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000516182626 852228123 /nfs/dbraw/zinc/22/81/23/852228123.db2.gz BFYCEOCAZNCQAP-KRWDZBQOSA-N 2 1 377.330 3.711 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)cc1 ZINC000180787994 862339458 /nfs/dbraw/zinc/33/94/58/862339458.db2.gz KYFLWIZDGMXQPR-AWEZNQCLSA-N 2 1 384.430 3.540 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+](C)Cc1ccccc1 ZINC000517701800 852292321 /nfs/dbraw/zinc/29/23/21/852292321.db2.gz WDNODRIOEAHBEZ-KNQAVFIVSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+](C)Cc1ccccc1 ZINC000517701800 852292328 /nfs/dbraw/zinc/29/23/28/852292328.db2.gz WDNODRIOEAHBEZ-KNQAVFIVSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000517701800 852292336 /nfs/dbraw/zinc/29/23/36/852292336.db2.gz WDNODRIOEAHBEZ-KNQAVFIVSA-N 2 1 397.538 3.674 20 0 GHADMP c1ccc(C[N@@H+]2CCOC3(CCCC3)C2)c(C[NH+]2CCOC3(CCCC3)C2)c1 ZINC000489398299 852300920 /nfs/dbraw/zinc/30/09/20/852300920.db2.gz XCMAQGNAGANENO-UHFFFAOYSA-N 2 1 384.564 3.977 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CCCC3)C2)c(C[NH+]2CCOC3(CCCC3)C2)c1 ZINC000489398299 852300929 /nfs/dbraw/zinc/30/09/29/852300929.db2.gz XCMAQGNAGANENO-UHFFFAOYSA-N 2 1 384.564 3.977 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000516242705 852316322 /nfs/dbraw/zinc/31/63/22/852316322.db2.gz OICUSTGNRPAVQK-VAMGGRTRSA-N 2 1 388.600 3.692 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000489436166 852338328 /nfs/dbraw/zinc/33/83/28/852338328.db2.gz LUQLSJXWWWOAEC-WMZHIEFXSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)CCCO2 ZINC000489487511 852395855 /nfs/dbraw/zinc/39/58/55/852395855.db2.gz VRULOSLCORGTAN-OAQYLSRUSA-N 2 1 387.568 3.556 20 0 GHADMP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000489637411 852501625 /nfs/dbraw/zinc/50/16/25/852501625.db2.gz WWBSDGIGXAIRJF-OAQYLSRUSA-N 2 1 393.575 3.844 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000489716385 852542872 /nfs/dbraw/zinc/54/28/72/852542872.db2.gz OSILOQNRZDCSOE-XMSQKQJNSA-N 2 1 395.522 3.953 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000506271737 852548956 /nfs/dbraw/zinc/54/89/56/852548956.db2.gz ZFAOWCRASLSONI-UHFFFAOYSA-N 2 1 399.535 3.539 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000506271737 852548960 /nfs/dbraw/zinc/54/89/60/852548960.db2.gz ZFAOWCRASLSONI-UHFFFAOYSA-N 2 1 399.535 3.539 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000517891201 852582526 /nfs/dbraw/zinc/58/25/26/852582526.db2.gz KQDDZOIUHUNGQK-HSZRJFAPSA-N 2 1 379.548 3.838 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000427063807 852668597 /nfs/dbraw/zinc/66/85/97/852668597.db2.gz ZEYPUZORLUDDAO-GMAHTHKFSA-N 2 1 381.564 3.761 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000489954487 852669804 /nfs/dbraw/zinc/66/98/04/852669804.db2.gz GDBJCKFZIFXQSL-JOCHJYFZSA-N 2 1 397.588 3.909 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000489954487 852669815 /nfs/dbraw/zinc/66/98/15/852669815.db2.gz GDBJCKFZIFXQSL-JOCHJYFZSA-N 2 1 397.588 3.909 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000293700237 852675043 /nfs/dbraw/zinc/67/50/43/852675043.db2.gz LJAHJLVNVNZCIP-FLPIEVNYSA-N 2 1 392.609 3.612 20 0 GHADMP C[C@@H]1CC(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000507292961 852767077 /nfs/dbraw/zinc/76/70/77/852767077.db2.gz WIHDWRKZNTYSLK-OALUTQOASA-N 2 1 377.617 3.713 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414951083 852853259 /nfs/dbraw/zinc/85/32/59/852853259.db2.gz GTEULMPHRCDQMG-CZUORRHYSA-N 2 1 385.346 3.724 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000427322665 852980488 /nfs/dbraw/zinc/98/04/88/852980488.db2.gz UMFIPIGXWGGXQH-KRWDZBQOSA-N 2 1 397.485 3.520 20 0 GHADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000507513440 852991933 /nfs/dbraw/zinc/99/19/33/852991933.db2.gz RNDMHBDMQUQGNY-MYGLTJDJSA-N 2 1 392.591 3.996 20 0 GHADMP c1coc([C@H](C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N2CCCC2)c1 ZINC000507513991 852992545 /nfs/dbraw/zinc/99/25/45/852992545.db2.gz SLAWANMELANLSU-BJESRGMDSA-N 2 1 379.548 3.917 20 0 GHADMP c1coc([C@H](CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[NH+]2CCCC2)c1 ZINC000507513991 852992555 /nfs/dbraw/zinc/99/25/55/852992555.db2.gz SLAWANMELANLSU-BJESRGMDSA-N 2 1 379.548 3.917 20 0 GHADMP c1coc([C@H](CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[NH+]2CCCC2)c1 ZINC000507513991 852992565 /nfs/dbraw/zinc/99/25/65/852992565.db2.gz SLAWANMELANLSU-BJESRGMDSA-N 2 1 379.548 3.917 20 0 GHADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000507521842 853004699 /nfs/dbraw/zinc/00/46/99/853004699.db2.gz BBKGONHOIKOKMP-MLDBQTBOSA-N 2 1 378.564 3.822 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490702960 853201605 /nfs/dbraw/zinc/20/16/05/853201605.db2.gz WAJMTPYMHVWOMV-OFVILXPXSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490702960 853201609 /nfs/dbraw/zinc/20/16/09/853201609.db2.gz WAJMTPYMHVWOMV-OFVILXPXSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490956719 853368819 /nfs/dbraw/zinc/36/88/19/853368819.db2.gz AXWLQFCXYPLLKQ-REWPJTCUSA-N 2 1 387.612 3.711 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCN1Cc1ccccc1 ZINC000491030014 853408336 /nfs/dbraw/zinc/40/83/36/853408336.db2.gz UXLFCMXKTFZMBX-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000491030014 853408341 /nfs/dbraw/zinc/40/83/41/853408341.db2.gz UXLFCMXKTFZMBX-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000491030014 853408348 /nfs/dbraw/zinc/40/83/48/853408348.db2.gz UXLFCMXKTFZMBX-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000491030014 853408357 /nfs/dbraw/zinc/40/83/57/853408357.db2.gz UXLFCMXKTFZMBX-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000491030014 853408366 /nfs/dbraw/zinc/40/83/66/853408366.db2.gz UXLFCMXKTFZMBX-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP O=C(c1ccco1)N1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167988689 853690623 /nfs/dbraw/zinc/69/06/23/853690623.db2.gz MRUAMPJVIKTAJM-WCRBZPEASA-N 2 1 397.563 3.613 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000571168983 853778018 /nfs/dbraw/zinc/77/80/18/853778018.db2.gz DNLWQSURIXOPAP-OALUTQOASA-N 2 1 375.513 3.668 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001168379076 853925175 /nfs/dbraw/zinc/92/51/75/853925175.db2.gz CPOFBQDTZUALDR-CTNGQTDRSA-N 2 1 376.548 3.533 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000520378446 854146896 /nfs/dbraw/zinc/14/68/96/854146896.db2.gz DFYJOZVITHPGSI-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000441369611 854152472 /nfs/dbraw/zinc/15/24/72/854152472.db2.gz FCYWNGAYIWSVRA-HUUCEWRRSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000441369611 854152479 /nfs/dbraw/zinc/15/24/79/854152479.db2.gz FCYWNGAYIWSVRA-HUUCEWRRSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000441369611 854152483 /nfs/dbraw/zinc/15/24/83/854152483.db2.gz FCYWNGAYIWSVRA-HUUCEWRRSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000441369611 854152488 /nfs/dbraw/zinc/15/24/88/854152488.db2.gz FCYWNGAYIWSVRA-HUUCEWRRSA-N 2 1 375.340 3.539 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571811833 854165122 /nfs/dbraw/zinc/16/51/22/854165122.db2.gz ZSUVDQCAVKOOJK-FCJDFRRUSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571811833 854165130 /nfs/dbraw/zinc/16/51/30/854165130.db2.gz ZSUVDQCAVKOOJK-FCJDFRRUSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571811833 854165137 /nfs/dbraw/zinc/16/51/37/854165137.db2.gz ZSUVDQCAVKOOJK-FCJDFRRUSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571811833 854165141 /nfs/dbraw/zinc/16/51/41/854165141.db2.gz ZSUVDQCAVKOOJK-FCJDFRRUSA-N 2 1 383.580 3.620 20 0 GHADMP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1OC ZINC000520415442 854202447 /nfs/dbraw/zinc/20/24/47/854202447.db2.gz LQDLOQSCVRMAQG-OAHLLOKOSA-N 2 1 378.513 3.906 20 0 GHADMP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1OC ZINC000520415442 854202458 /nfs/dbraw/zinc/20/24/58/854202458.db2.gz LQDLOQSCVRMAQG-OAHLLOKOSA-N 2 1 378.513 3.906 20 0 GHADMP O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167993272 854350884 /nfs/dbraw/zinc/35/08/84/854350884.db2.gz NKGHLZSYKIWOLO-KORDQABASA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(F)cc3Br)CC2)C[C@H](C)O1 ZINC000588710695 854370119 /nfs/dbraw/zinc/37/01/19/854370119.db2.gz UXCQEOZBZGCVRY-GASCZTMLSA-N 2 1 399.348 3.909 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)cc3Br)CC2)C[C@H](C)O1 ZINC000588710695 854370121 /nfs/dbraw/zinc/37/01/21/854370121.db2.gz UXCQEOZBZGCVRY-GASCZTMLSA-N 2 1 399.348 3.909 20 0 GHADMP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473952925 854398267 /nfs/dbraw/zinc/39/82/67/854398267.db2.gz SIOVSRGRNWBDEY-VWPQPMDRSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000068200372 854559313 /nfs/dbraw/zinc/55/93/13/854559313.db2.gz SFYAFENDEUOEDW-HKUYNNGSSA-N 2 1 389.540 3.518 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)cc1)C1CC1 ZINC000481987735 862580835 /nfs/dbraw/zinc/58/08/35/862580835.db2.gz YSTIDJYGBKZDDF-UHFFFAOYSA-N 2 1 383.511 3.672 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1)C1CC1 ZINC000481987735 862580838 /nfs/dbraw/zinc/58/08/38/862580838.db2.gz YSTIDJYGBKZDDF-UHFFFAOYSA-N 2 1 383.511 3.672 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1)C1CC1 ZINC000481987735 862580844 /nfs/dbraw/zinc/58/08/44/862580844.db2.gz YSTIDJYGBKZDDF-UHFFFAOYSA-N 2 1 383.511 3.672 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)[NH+]2CCCCC2)cc1 ZINC000441438798 854804500 /nfs/dbraw/zinc/80/45/00/854804500.db2.gz NBUFHCKPPZAUBY-OIBXWCBGSA-N 2 1 399.579 3.603 20 0 GHADMP COc1ccc(CCCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000589322321 854809963 /nfs/dbraw/zinc/80/99/63/854809963.db2.gz GARARNMEOAMJMC-UHFFFAOYSA-N 2 1 396.535 3.584 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765791553 854820233 /nfs/dbraw/zinc/82/02/33/854820233.db2.gz MUBWYLBMKBYSKW-WWNPGLIZSA-N 2 1 384.495 3.571 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765791553 854820236 /nfs/dbraw/zinc/82/02/36/854820236.db2.gz MUBWYLBMKBYSKW-WWNPGLIZSA-N 2 1 384.495 3.571 20 0 GHADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000765791589 854820545 /nfs/dbraw/zinc/82/05/45/854820545.db2.gz NPHZJGZVJNXLAU-RTWAWAEBSA-N 2 1 386.486 3.571 20 0 GHADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000765791589 854820550 /nfs/dbraw/zinc/82/05/50/854820550.db2.gz NPHZJGZVJNXLAU-RTWAWAEBSA-N 2 1 386.486 3.571 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000624053734 862615838 /nfs/dbraw/zinc/61/58/38/862615838.db2.gz NIYXGOGAEKBRAU-UHFFFAOYSA-N 2 1 380.458 3.972 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000589507230 854895612 /nfs/dbraw/zinc/89/56/12/854895612.db2.gz JOZQSHKHRFYKPQ-HSZRJFAPSA-N 2 1 379.548 3.660 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000589507230 854895626 /nfs/dbraw/zinc/89/56/26/854895626.db2.gz JOZQSHKHRFYKPQ-HSZRJFAPSA-N 2 1 379.548 3.660 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([N@@H+](C3CCOCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168626043 855170663 /nfs/dbraw/zinc/17/06/63/855170663.db2.gz WKEYNQFQLLYLFD-QQURRQIPSA-N 2 1 388.552 3.666 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000624105953 862656885 /nfs/dbraw/zinc/65/68/85/862656885.db2.gz JECISKLMDVAZCX-QHCPKHFHSA-N 2 1 377.532 3.846 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000674013366 862657223 /nfs/dbraw/zinc/65/72/23/862657223.db2.gz FRXXMSXIJBFJBF-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674013366 862657231 /nfs/dbraw/zinc/65/72/31/862657231.db2.gz FRXXMSXIJBFJBF-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674013366 862657240 /nfs/dbraw/zinc/65/72/40/862657240.db2.gz FRXXMSXIJBFJBF-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120825 862669102 /nfs/dbraw/zinc/66/91/02/862669102.db2.gz HPFZYMJGVCPYKX-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120825 862669106 /nfs/dbraw/zinc/66/91/06/862669106.db2.gz HPFZYMJGVCPYKX-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120825 862669110 /nfs/dbraw/zinc/66/91/10/862669110.db2.gz HPFZYMJGVCPYKX-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP CC[C@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)[NH+]1CCc2ccccc2C1 ZINC000590395793 855388237 /nfs/dbraw/zinc/38/82/37/855388237.db2.gz ILCIHSLFNMCBGH-DHIUTWEWSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@H](CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)[NH+]1CCc2ccccc2C1 ZINC000590395793 855388247 /nfs/dbraw/zinc/38/82/47/855388247.db2.gz ILCIHSLFNMCBGH-DHIUTWEWSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000590395793 855388257 /nfs/dbraw/zinc/38/82/57/855388257.db2.gz ILCIHSLFNMCBGH-DHIUTWEWSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC)[N@H+]1CCc2ccccc2C1 ZINC000590395793 855388266 /nfs/dbraw/zinc/38/82/66/855388266.db2.gz ILCIHSLFNMCBGH-DHIUTWEWSA-N 2 1 379.548 3.633 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000590786498 855585472 /nfs/dbraw/zinc/58/54/72/855585472.db2.gz FIFCQSQBRKHGFM-UHFFFAOYSA-N 2 1 397.357 3.773 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001168004140 855730212 /nfs/dbraw/zinc/73/02/12/855730212.db2.gz RJPYXKILQFNWPV-CHJXOBGISA-N 2 1 379.592 3.846 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]3C2)cc1 ZINC001168004140 855730218 /nfs/dbraw/zinc/73/02/18/855730218.db2.gz RJPYXKILQFNWPV-CHJXOBGISA-N 2 1 379.592 3.846 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]3C2)cc1 ZINC001168004140 855730226 /nfs/dbraw/zinc/73/02/26/855730226.db2.gz RJPYXKILQFNWPV-CHJXOBGISA-N 2 1 379.592 3.846 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000591094998 855758793 /nfs/dbraw/zinc/75/87/93/855758793.db2.gz QKFROYSXEZBAFM-ICSRJNTNSA-N 2 1 399.535 3.566 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000591094998 855758798 /nfs/dbraw/zinc/75/87/98/855758798.db2.gz QKFROYSXEZBAFM-ICSRJNTNSA-N 2 1 399.535 3.566 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000482132354 862719345 /nfs/dbraw/zinc/71/93/45/862719345.db2.gz BAKPACFRRKIMLO-RCZSKKKRSA-N 2 1 398.595 3.705 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000482139551 862724831 /nfs/dbraw/zinc/72/48/31/862724831.db2.gz USNRVCFTPPVCIL-JKSUJKDBSA-N 2 1 383.483 3.717 20 0 GHADMP CCOc1cc(Cl)ccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000469641567 855831744 /nfs/dbraw/zinc/83/17/44/855831744.db2.gz XOCYUESHKWLHGH-QGZVFWFLSA-N 2 1 396.963 3.619 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+](C)C3CCCC3)cc2)C1 ZINC000591408075 855963455 /nfs/dbraw/zinc/96/34/55/855963455.db2.gz XSFBJYMTMSMRCX-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@H+](C)C3CCCC3)cc2)C1 ZINC000591408075 855963459 /nfs/dbraw/zinc/96/34/59/855963459.db2.gz XSFBJYMTMSMRCX-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+](C)C3CCCC3)cc2)C1 ZINC000591408075 855963464 /nfs/dbraw/zinc/96/34/64/855963464.db2.gz XSFBJYMTMSMRCX-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000591452164 855995845 /nfs/dbraw/zinc/99/58/45/855995845.db2.gz XLOAUHRRDLOXGP-UXHICEINSA-N 2 1 387.568 3.542 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1Cl ZINC000591545331 856101237 /nfs/dbraw/zinc/10/12/37/856101237.db2.gz BRVCQRODJWWIJB-FXAWDEMLSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1sccc1Br ZINC000542848831 856127439 /nfs/dbraw/zinc/12/74/39/856127439.db2.gz GYNJBGKQGFNZKQ-XJKSGUPXSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1sccc1Br ZINC000542848831 856127440 /nfs/dbraw/zinc/12/74/40/856127440.db2.gz GYNJBGKQGFNZKQ-XJKSGUPXSA-N 2 1 395.366 3.928 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536461447 856148138 /nfs/dbraw/zinc/14/81/38/856148138.db2.gz ZYEYMHHSYYLTFX-QFBILLFUSA-N 2 1 398.954 3.503 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536461447 856148146 /nfs/dbraw/zinc/14/81/46/856148146.db2.gz ZYEYMHHSYYLTFX-QFBILLFUSA-N 2 1 398.954 3.503 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536461447 856148148 /nfs/dbraw/zinc/14/81/48/856148148.db2.gz ZYEYMHHSYYLTFX-QFBILLFUSA-N 2 1 398.954 3.503 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000429226158 856150129 /nfs/dbraw/zinc/15/01/29/856150129.db2.gz JHMWLEUCVHKSNY-UHFFFAOYSA-N 2 1 380.330 3.999 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000429226158 856150132 /nfs/dbraw/zinc/15/01/32/856150132.db2.gz JHMWLEUCVHKSNY-UHFFFAOYSA-N 2 1 380.330 3.999 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669417173 856219237 /nfs/dbraw/zinc/21/92/37/856219237.db2.gz DQSLNSASYRFCHS-XDNAFOTISA-N 2 1 375.607 3.880 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000487400073 856433248 /nfs/dbraw/zinc/43/32/48/856433248.db2.gz ZBLCDFPEENSSQH-UHFFFAOYSA-N 2 1 382.430 3.708 20 0 GHADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000573727391 856456419 /nfs/dbraw/zinc/45/64/19/856456419.db2.gz QYDXQONLAHSTAC-XUVXKRRUSA-N 2 1 392.559 3.737 20 0 GHADMP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000701892658 856740365 /nfs/dbraw/zinc/74/03/65/856740365.db2.gz KQWHXZBBDJWQNY-UHFFFAOYSA-N 2 1 385.552 3.640 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146469 856816951 /nfs/dbraw/zinc/81/69/51/856816951.db2.gz VGCIMUAFEAQPMZ-QRWLVFNGSA-N 2 1 389.337 3.867 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)cc1 ZINC000573966947 856833530 /nfs/dbraw/zinc/83/35/30/856833530.db2.gz CZORHVMTZQNNEQ-SFTDATJTSA-N 2 1 398.572 3.649 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)cc1 ZINC000573966947 856833537 /nfs/dbraw/zinc/83/35/37/856833537.db2.gz CZORHVMTZQNNEQ-SFTDATJTSA-N 2 1 398.572 3.649 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000675194811 857088962 /nfs/dbraw/zinc/08/89/62/857088962.db2.gz RFOMRMDTXGLUCN-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000057775436 857233757 /nfs/dbraw/zinc/23/37/57/857233757.db2.gz SNQHPZKLFFKYOW-SFHVURJKSA-N 2 1 392.613 3.524 20 0 GHADMP CCOc1ccccc1NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843706 857242120 /nfs/dbraw/zinc/24/21/20/857242120.db2.gz CHDVEZGTCHPBCR-UHFFFAOYSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843706 857242126 /nfs/dbraw/zinc/24/21/26/857242126.db2.gz CHDVEZGTCHPBCR-UHFFFAOYSA-N 2 1 395.547 3.868 20 0 GHADMP CN(Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000428245344 857554012 /nfs/dbraw/zinc/55/40/12/857554012.db2.gz WRMNUARYOKXTQB-QGZVFWFLSA-N 2 1 380.458 3.724 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000675692002 857565475 /nfs/dbraw/zinc/56/54/75/857565475.db2.gz KEAWFJFKDXZEOF-SFHVURJKSA-N 2 1 396.539 3.776 20 0 GHADMP CCCCN(C(=O)c1cc(C[NH+]2CCCC2)on1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000486227459 857566891 /nfs/dbraw/zinc/56/68/91/857566891.db2.gz OTZIGPHKLBQZHD-UHFFFAOYSA-N 2 1 390.572 3.822 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnnn2-c2ccccc2)CC1 ZINC000676017456 857710577 /nfs/dbraw/zinc/71/05/77/857710577.db2.gz HFUNJLBOEHVORB-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000521435962 857994537 /nfs/dbraw/zinc/99/45/37/857994537.db2.gz HWFFATPUFBPNQU-GBESFXJTSA-N 2 1 379.504 3.737 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC(C[N@H+](C)C(C)C)CC3)C2=O)c1 ZINC000605316532 862984152 /nfs/dbraw/zinc/98/41/52/862984152.db2.gz LABFXJJLTJQXBO-HXUWFJFHSA-N 2 1 375.532 3.682 20 0 GHADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000482361109 862986340 /nfs/dbraw/zinc/98/63/40/862986340.db2.gz FSEBFCPHIPAFSP-LJQANCHMSA-N 2 1 382.390 3.763 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1(C)C ZINC000442876147 858191388 /nfs/dbraw/zinc/19/13/88/858191388.db2.gz PIKQUHVNUPHMPV-IEBWSBKVSA-N 2 1 383.502 3.957 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000442875562 858191661 /nfs/dbraw/zinc/19/16/61/858191661.db2.gz PCXSXVSLPRGFOY-XMMPIXPASA-N 2 1 379.592 3.846 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428262069 858194391 /nfs/dbraw/zinc/19/43/91/858194391.db2.gz WFPMIKZSDZPQLK-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000442880646 858202738 /nfs/dbraw/zinc/20/27/38/858202738.db2.gz ZFGGHLJBSDSHJX-RBUKOAKNSA-N 2 1 383.502 3.957 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543088278 858277115 /nfs/dbraw/zinc/27/71/15/858277115.db2.gz IRDRBIPFKSPRSJ-ICSRJNTNSA-N 2 1 381.923 3.603 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000443078000 858352764 /nfs/dbraw/zinc/35/27/64/858352764.db2.gz VTIJXLREAOFMEH-VGSWGCGISA-N 2 1 385.939 3.606 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000521842839 858360462 /nfs/dbraw/zinc/36/04/62/858360462.db2.gz OJUUKFKAGBUNNU-OAQYLSRUSA-N 2 1 396.535 3.766 20 0 GHADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000595003939 858363826 /nfs/dbraw/zinc/36/38/26/858363826.db2.gz NWHYWFRNTBCXJJ-QRVBRYPASA-N 2 1 390.568 3.753 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000521955746 858483267 /nfs/dbraw/zinc/48/32/67/858483267.db2.gz WBEPGAXSDVMZPX-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000521955746 858483272 /nfs/dbraw/zinc/48/32/72/858483272.db2.gz WBEPGAXSDVMZPX-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000521955746 858483275 /nfs/dbraw/zinc/48/32/75/858483275.db2.gz WBEPGAXSDVMZPX-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCCCC1 ZINC000181835515 863030320 /nfs/dbraw/zinc/03/03/20/863030320.db2.gz IDGBWZCMWHFSGV-HBFSDRIKSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000595463225 858538609 /nfs/dbraw/zinc/53/86/09/858538609.db2.gz QFXITTVLEQJAKZ-SFTDATJTSA-N 2 1 399.579 3.640 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000079578071 858583740 /nfs/dbraw/zinc/58/37/40/858583740.db2.gz DKVBXZLDCDSBDX-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[C@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000079598917 858589743 /nfs/dbraw/zinc/58/97/43/858589743.db2.gz DWGBSLVTFZMQDG-NRFANRHFSA-N 2 1 380.621 3.505 20 0 GHADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000181932035 863058832 /nfs/dbraw/zinc/05/88/32/863058832.db2.gz XMXTWXVIMGSRAY-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482889442 858944196 /nfs/dbraw/zinc/94/41/96/858944196.db2.gz UFGIQEJYSKFVCP-QGZVFWFLSA-N 2 1 398.016 3.743 20 0 GHADMP Cc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc([C@H]2CCC[NH2+]C2)n1 ZINC001170330269 881370287 /nfs/dbraw/zinc/37/02/87/881370287.db2.gz KDAOUVPMDPBDNG-MYGLTJDJSA-N 2 1 391.563 3.860 20 0 GHADMP C[C@@H]1CCC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000443578175 858972644 /nfs/dbraw/zinc/97/26/44/858972644.db2.gz QDAQWLYXAXAFMZ-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000856552907 881378814 /nfs/dbraw/zinc/37/88/14/881378814.db2.gz RTNKJCZMTPBKSB-IBGZPJMESA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000856552907 881378878 /nfs/dbraw/zinc/37/88/78/881378878.db2.gz RTNKJCZMTPBKSB-IBGZPJMESA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000856552907 881378917 /nfs/dbraw/zinc/37/89/17/881378917.db2.gz RTNKJCZMTPBKSB-IBGZPJMESA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000856552907 881378934 /nfs/dbraw/zinc/37/89/34/881378934.db2.gz RTNKJCZMTPBKSB-IBGZPJMESA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nccc4ccccc43)C2)ccn1 ZINC000856553688 881386386 /nfs/dbraw/zinc/38/63/86/881386386.db2.gz NXVHWLFFLDPVNM-NRFANRHFSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nccc4ccccc43)C2)ccn1 ZINC000856553688 881386421 /nfs/dbraw/zinc/38/64/21/881386421.db2.gz NXVHWLFFLDPVNM-NRFANRHFSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nccc4ccccc43)C2)ccn1 ZINC000856553688 881386456 /nfs/dbraw/zinc/38/64/56/881386456.db2.gz NXVHWLFFLDPVNM-NRFANRHFSA-N 2 1 376.504 3.735 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)cc4cccnc43)C2)ccn1 ZINC000856553444 881381635 /nfs/dbraw/zinc/38/16/35/881381635.db2.gz WCIZBUXGCYPXNK-JOCHJYFZSA-N 2 1 394.494 3.874 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)cc4cccnc43)C2)ccn1 ZINC000856553444 881381650 /nfs/dbraw/zinc/38/16/50/881381650.db2.gz WCIZBUXGCYPXNK-JOCHJYFZSA-N 2 1 394.494 3.874 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc4cccnc43)C2)ccn1 ZINC000856553444 881381666 /nfs/dbraw/zinc/38/16/66/881381666.db2.gz WCIZBUXGCYPXNK-JOCHJYFZSA-N 2 1 394.494 3.874 20 0 GHADMP C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000483058777 859101060 /nfs/dbraw/zinc/10/10/60/859101060.db2.gz QTXULXUIWRBNSY-OAQYLSRUSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712298 859120763 /nfs/dbraw/zinc/12/07/63/859120763.db2.gz UGQIRUHNMOOXGW-CABCVRRESA-N 2 1 399.457 3.766 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712298 859120764 /nfs/dbraw/zinc/12/07/64/859120764.db2.gz UGQIRUHNMOOXGW-CABCVRRESA-N 2 1 399.457 3.766 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000665363801 859134859 /nfs/dbraw/zinc/13/48/59/859134859.db2.gz CDPGGQACASAWPL-GIVPXCGWSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000665363801 859134862 /nfs/dbraw/zinc/13/48/62/859134862.db2.gz CDPGGQACASAWPL-GIVPXCGWSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000665363801 859134866 /nfs/dbraw/zinc/13/48/66/859134866.db2.gz CDPGGQACASAWPL-GIVPXCGWSA-N 2 1 386.584 3.554 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000443670265 859263325 /nfs/dbraw/zinc/26/33/25/859263325.db2.gz SLZJZFZIMLACAH-PMACEKPBSA-N 2 1 389.584 3.536 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1)C(C)C ZINC000483374435 859322091 /nfs/dbraw/zinc/32/20/91/859322091.db2.gz AHUUMXIICYSMIH-LEWJYISDSA-N 2 1 389.609 3.569 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1)C(C)C ZINC000483374442 859322112 /nfs/dbraw/zinc/32/21/12/859322112.db2.gz AHUUMXIICYSMIH-RTWAWAEBSA-N 2 1 389.609 3.569 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@H]1C ZINC000483692352 859545367 /nfs/dbraw/zinc/54/53/67/859545367.db2.gz MEGQADZWFLVWNU-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000764716190 859579776 /nfs/dbraw/zinc/57/97/76/859579776.db2.gz UZTRHRDNTQFWHM-WMZHIEFXSA-N 2 1 377.532 3.814 20 0 GHADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000543402524 859585102 /nfs/dbraw/zinc/58/51/02/859585102.db2.gz JMQGQXVKWNHJBC-VWLOTQADSA-N 2 1 395.591 3.864 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C[C@H]1C ZINC000483816580 859636400 /nfs/dbraw/zinc/63/64/00/859636400.db2.gz JOLQIRZINAWETG-KNKQGSTJSA-N 2 1 386.584 3.726 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cscc3Br)CC2)nc(C)[nH+]1 ZINC000512054391 859865030 /nfs/dbraw/zinc/86/50/30/859865030.db2.gz UKAYVXNLFHKLIY-UHFFFAOYSA-N 2 1 381.343 3.676 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389801 859880236 /nfs/dbraw/zinc/88/02/36/859880236.db2.gz KKIKUILBBYEKOO-CZAYHTPWSA-N 2 1 385.577 3.688 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166176540 860224008 /nfs/dbraw/zinc/22/40/08/860224008.db2.gz NZNUOCOOBCQQJH-DHIUTWEWSA-N 2 1 377.532 3.641 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166176540 860224017 /nfs/dbraw/zinc/22/40/17/860224017.db2.gz NZNUOCOOBCQQJH-DHIUTWEWSA-N 2 1 377.532 3.641 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000534559079 860250220 /nfs/dbraw/zinc/25/02/20/860250220.db2.gz FKIHEFCXGXAKFG-DYESRHJHSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000534559079 860250232 /nfs/dbraw/zinc/25/02/32/860250232.db2.gz FKIHEFCXGXAKFG-DYESRHJHSA-N 2 1 380.536 3.602 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000536023635 860264309 /nfs/dbraw/zinc/26/43/09/860264309.db2.gz ULEHGZZDMXILCD-QHCPKHFHSA-N 2 1 392.547 3.658 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000536023635 860264313 /nfs/dbraw/zinc/26/43/13/860264313.db2.gz ULEHGZZDMXILCD-QHCPKHFHSA-N 2 1 392.547 3.658 20 0 GHADMP CC(C)(C[NH+]1CCC([NH2+]C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000896036196 860279397 /nfs/dbraw/zinc/27/93/97/860279397.db2.gz NHUGUNQFGWMNAE-UHFFFAOYSA-N 2 1 395.385 3.960 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000896029015 860285071 /nfs/dbraw/zinc/28/50/71/860285071.db2.gz ZTWVPFFTHJQNNF-UHFFFAOYSA-N 2 1 377.533 3.522 20 0 GHADMP CCCCn1c(=S)n(CN2CCC[N@H+](C(C)C)CC2)nc1[C@H](CC)[NH+](C)C ZINC000727823193 860292245 /nfs/dbraw/zinc/29/22/45/860292245.db2.gz CPXHGLQGMLFRLX-SFHVURJKSA-N 2 1 396.649 3.600 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])c1 ZINC000904296686 860317931 /nfs/dbraw/zinc/31/79/31/860317931.db2.gz ZBGVQLLCGYJVQB-GCJKJVERSA-N 2 1 381.524 3.790 20 0 GHADMP FC(F)(F)c1cnc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(Cl)c1 ZINC000166835203 860352817 /nfs/dbraw/zinc/35/28/17/860352817.db2.gz UGQSYQUWDWHTTA-QLFBSQMISA-N 2 1 388.865 3.549 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000470493378 860364175 /nfs/dbraw/zinc/36/41/75/860364175.db2.gz JSKSSDBBDRGVDS-SFTDATJTSA-N 2 1 380.621 3.791 20 0 GHADMP CCc1nc2c(s1)[C@@H](NC[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837389 860373951 /nfs/dbraw/zinc/37/39/51/860373951.db2.gz QVGNRQCNBXCAAX-MOPGFXCFSA-N 2 1 385.577 3.964 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)C1 ZINC000189055697 881534185 /nfs/dbraw/zinc/53/41/85/881534185.db2.gz DGLGXMSRQHRSCZ-ZPMCFJSWSA-N 2 1 387.543 3.559 20 0 GHADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)n2c1CCCC2 ZINC000598636480 860464673 /nfs/dbraw/zinc/46/46/73/860464673.db2.gz FMCANHVNBONGOG-SFHVURJKSA-N 2 1 395.547 3.926 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585451 881556747 /nfs/dbraw/zinc/55/67/47/881556747.db2.gz FQYZRRWTKGTQBM-NTKDMRAZSA-N 2 1 379.548 3.792 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585451 881556755 /nfs/dbraw/zinc/55/67/55/881556755.db2.gz FQYZRRWTKGTQBM-NTKDMRAZSA-N 2 1 379.548 3.792 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585451 881556770 /nfs/dbraw/zinc/55/67/70/881556770.db2.gz FQYZRRWTKGTQBM-NTKDMRAZSA-N 2 1 379.548 3.792 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585495 881557584 /nfs/dbraw/zinc/55/75/84/881557584.db2.gz HOERQKQRHGHGNY-DHIUTWEWSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585495 881557600 /nfs/dbraw/zinc/55/76/00/881557600.db2.gz HOERQKQRHGHGNY-DHIUTWEWSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585495 881557610 /nfs/dbraw/zinc/55/76/10/881557610.db2.gz HOERQKQRHGHGNY-DHIUTWEWSA-N 2 1 383.536 3.764 20 0 GHADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](CC)c1ccccc1 ZINC000537629157 881564197 /nfs/dbraw/zinc/56/41/97/881564197.db2.gz WYFBTXHVRAAIRY-JOCHJYFZSA-N 2 1 381.568 3.982 20 0 GHADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](CC)c1ccccc1 ZINC000537629157 881564207 /nfs/dbraw/zinc/56/42/07/881564207.db2.gz WYFBTXHVRAAIRY-JOCHJYFZSA-N 2 1 381.568 3.982 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247790066 860757470 /nfs/dbraw/zinc/75/74/70/860757470.db2.gz YZSYVUIAFYSIGS-CKEIUWERSA-N 2 1 396.413 3.692 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247790066 860757474 /nfs/dbraw/zinc/75/74/74/860757474.db2.gz YZSYVUIAFYSIGS-CKEIUWERSA-N 2 1 396.413 3.692 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000192636692 860892819 /nfs/dbraw/zinc/89/28/19/860892819.db2.gz QOTHKWFIIGTCSW-CQSZACIVSA-N 2 1 378.501 3.945 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623362820 860924330 /nfs/dbraw/zinc/92/43/30/860924330.db2.gz LXTOCPJMNDMPRS-KRWDZBQOSA-N 2 1 385.508 3.854 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623362820 860924352 /nfs/dbraw/zinc/92/43/52/860924352.db2.gz LXTOCPJMNDMPRS-KRWDZBQOSA-N 2 1 385.508 3.854 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623362820 860924370 /nfs/dbraw/zinc/92/43/70/860924370.db2.gz LXTOCPJMNDMPRS-KRWDZBQOSA-N 2 1 385.508 3.854 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1(C)C ZINC000623387541 860979650 /nfs/dbraw/zinc/97/96/50/860979650.db2.gz HWEVCQYTRBCALE-RBUKOAKNSA-N 2 1 399.501 3.541 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)o1 ZINC000603686108 861040134 /nfs/dbraw/zinc/04/01/34/861040134.db2.gz CSHUIMSMUCTPRX-RBUKOAKNSA-N 2 1 375.557 3.848 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445697 863132184 /nfs/dbraw/zinc/13/21/84/863132184.db2.gz BHDUFGPLMIEHSW-JTHBVZDNSA-N 2 1 393.575 3.738 20 0 GHADMP COc1cc(Br)ccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000182200650 863149702 /nfs/dbraw/zinc/14/97/02/863149702.db2.gz UGACNOXWLGFPCI-UHFFFAOYSA-N 2 1 397.357 3.535 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000498597518 863169118 /nfs/dbraw/zinc/16/91/18/863169118.db2.gz IPBWFPONVBGDJG-SIKLNZKXSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000498597518 863169122 /nfs/dbraw/zinc/16/91/22/863169122.db2.gz IPBWFPONVBGDJG-SIKLNZKXSA-N 2 1 399.966 3.971 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H]1C ZINC000444040696 863200300 /nfs/dbraw/zinc/20/03/00/863200300.db2.gz ZDZLJJGVNDKTEM-MJGOQNOKSA-N 2 1 390.597 3.572 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@H]1C ZINC000444040696 863200310 /nfs/dbraw/zinc/20/03/10/863200310.db2.gz ZDZLJJGVNDKTEM-MJGOQNOKSA-N 2 1 390.597 3.572 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000605964064 863334094 /nfs/dbraw/zinc/33/40/94/863334094.db2.gz OCDSIEMGLJRQMZ-FQEVSTJZSA-N 2 1 394.563 3.554 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000605964064 863334107 /nfs/dbraw/zinc/33/41/07/863334107.db2.gz OCDSIEMGLJRQMZ-FQEVSTJZSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000605964064 863334121 /nfs/dbraw/zinc/33/41/21/863334121.db2.gz OCDSIEMGLJRQMZ-FQEVSTJZSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000605964064 863334135 /nfs/dbraw/zinc/33/41/35/863334135.db2.gz OCDSIEMGLJRQMZ-FQEVSTJZSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)ccc1OCC[NH+]1CCCC1 ZINC000522903685 863690067 /nfs/dbraw/zinc/69/00/67/863690067.db2.gz BBFGRYBXRXHXRR-QFIPXVFZSA-N 2 1 381.520 3.711 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000606627410 863719775 /nfs/dbraw/zinc/71/97/75/863719775.db2.gz KZPZCJDPJNCRPB-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606660052 863751992 /nfs/dbraw/zinc/75/19/92/863751992.db2.gz NMGUXVOTMPTVFX-DHIUTWEWSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856728251 881695309 /nfs/dbraw/zinc/69/53/09/881695309.db2.gz PARKEBBNPMOYMN-LJQANCHMSA-N 2 1 384.630 3.710 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856728251 881695321 /nfs/dbraw/zinc/69/53/21/881695321.db2.gz PARKEBBNPMOYMN-LJQANCHMSA-N 2 1 384.630 3.710 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000159118102 864037311 /nfs/dbraw/zinc/03/73/11/864037311.db2.gz JGAWUYHFIZIWNZ-JTSKRJEESA-N 2 1 376.504 3.531 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000159190334 864059592 /nfs/dbraw/zinc/05/95/92/864059592.db2.gz ZWBDFRVQBGBSBC-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000159190334 864059612 /nfs/dbraw/zinc/05/96/12/864059612.db2.gz ZWBDFRVQBGBSBC-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000159190334 864059625 /nfs/dbraw/zinc/05/96/25/864059625.db2.gz ZWBDFRVQBGBSBC-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000763652069 864073928 /nfs/dbraw/zinc/07/39/28/864073928.db2.gz YBFJLNAKIAGPHW-KRWDZBQOSA-N 2 1 384.520 3.975 20 0 GHADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000607173949 864135658 /nfs/dbraw/zinc/13/56/58/864135658.db2.gz HUOLBGMXJAIVEY-PWRODBHTSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000607173949 864135670 /nfs/dbraw/zinc/13/56/70/864135670.db2.gz HUOLBGMXJAIVEY-PWRODBHTSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000607173949 864135677 /nfs/dbraw/zinc/13/56/77/864135677.db2.gz HUOLBGMXJAIVEY-PWRODBHTSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@@H+](CCNC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CCCC1 ZINC000475129221 864246492 /nfs/dbraw/zinc/24/64/92/864246492.db2.gz PMIGTELGRYGPAN-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000475129221 864246507 /nfs/dbraw/zinc/24/65/07/864246507.db2.gz PMIGTELGRYGPAN-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000475129221 864246520 /nfs/dbraw/zinc/24/65/20/864246520.db2.gz PMIGTELGRYGPAN-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000607366938 864350446 /nfs/dbraw/zinc/35/04/46/864350446.db2.gz YUSPJCOWCZUYOG-XMMPIXPASA-N 2 1 376.500 3.575 20 0 GHADMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000607366938 864350451 /nfs/dbraw/zinc/35/04/51/864350451.db2.gz YUSPJCOWCZUYOG-XMMPIXPASA-N 2 1 376.500 3.575 20 0 GHADMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000607366936 864351287 /nfs/dbraw/zinc/35/12/87/864351287.db2.gz YUSPJCOWCZUYOG-DEOSSOPVSA-N 2 1 376.500 3.575 20 0 GHADMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC000607366936 864351301 /nfs/dbraw/zinc/35/13/01/864351301.db2.gz YUSPJCOWCZUYOG-DEOSSOPVSA-N 2 1 376.500 3.575 20 0 GHADMP Cc1nccnc1O[C@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057482 864383630 /nfs/dbraw/zinc/38/36/30/864383630.db2.gz NJQWIRJWDONUAP-UDKICSLYSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057482 864383647 /nfs/dbraw/zinc/38/36/47/864383647.db2.gz NJQWIRJWDONUAP-UDKICSLYSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057482 864383666 /nfs/dbraw/zinc/38/36/66/864383666.db2.gz NJQWIRJWDONUAP-UDKICSLYSA-N 2 1 380.536 3.680 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480282105 864421573 /nfs/dbraw/zinc/42/15/73/864421573.db2.gz XBGACDIFWYFSBW-HXUWFJFHSA-N 3 1 381.564 3.726 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000480282105 864421579 /nfs/dbraw/zinc/42/15/79/864421579.db2.gz XBGACDIFWYFSBW-HXUWFJFHSA-N 3 1 381.564 3.726 20 0 GHADMP C[C@H]1CC([NH+]2CC3(CN(c4ccccc4)C3=O)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058131 864443219 /nfs/dbraw/zinc/44/32/19/864443219.db2.gz BCUHNJZRFTUJFQ-PMACEKPBSA-N 2 1 389.543 3.777 20 0 GHADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccsc2Cl)cc1 ZINC000480330838 864485733 /nfs/dbraw/zinc/48/57/33/864485733.db2.gz GNDXRVSBAHKVRJ-UHFFFAOYSA-N 2 1 377.941 3.517 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1)C1CCOCC1 ZINC000163971068 864582249 /nfs/dbraw/zinc/58/22/49/864582249.db2.gz RUSRZAIAUBEWPF-OAQYLSRUSA-N 2 1 390.568 3.612 20 0 GHADMP CC[NH+](CC)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)c1cccc(OC)c1 ZINC000480421867 864624091 /nfs/dbraw/zinc/62/40/91/864624091.db2.gz WUAXZDFABOMEKT-XMMPIXPASA-N 2 1 396.579 3.727 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000856828771 881785342 /nfs/dbraw/zinc/78/53/42/881785342.db2.gz WFWXLUXPUKZAPO-QHCPKHFHSA-N 2 1 379.548 3.700 20 0 GHADMP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000166013879 864708051 /nfs/dbraw/zinc/70/80/51/864708051.db2.gz UUCRUWAQFMMPPH-HYBUGGRVSA-N 2 1 380.532 3.776 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000554744911 864828821 /nfs/dbraw/zinc/82/88/21/864828821.db2.gz BYVYBMJHBRGZIH-KRWDZBQOSA-N 2 1 389.849 3.703 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000554744911 864828838 /nfs/dbraw/zinc/82/88/38/864828838.db2.gz BYVYBMJHBRGZIH-KRWDZBQOSA-N 2 1 389.849 3.703 20 0 GHADMP CC(C)Cc1cccc([C@@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000622326022 864925934 /nfs/dbraw/zinc/92/59/34/864925934.db2.gz YNLOSZKVFLMDMU-GOSISDBHSA-N 2 1 380.536 3.774 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000480608431 864939769 /nfs/dbraw/zinc/93/97/69/864939769.db2.gz JMGYLCVXVWHFSJ-DVECYGJZSA-N 2 1 398.595 3.758 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000608061208 864954723 /nfs/dbraw/zinc/95/47/23/864954723.db2.gz GHAYDVXPLIVUER-XMSQKQJNSA-N 2 1 375.520 3.566 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851241 865041709 /nfs/dbraw/zinc/04/17/09/865041709.db2.gz FBDIIQYCGVVHKR-KRWDZBQOSA-N 2 1 389.540 3.978 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851241 865041721 /nfs/dbraw/zinc/04/17/21/865041721.db2.gz FBDIIQYCGVVHKR-KRWDZBQOSA-N 2 1 389.540 3.978 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccc(F)cc3)C2)s1 ZINC000554851241 865041730 /nfs/dbraw/zinc/04/17/30/865041730.db2.gz FBDIIQYCGVVHKR-KRWDZBQOSA-N 2 1 389.540 3.978 20 0 GHADMP C/C(=C/c1ccccc1)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554868776 865061669 /nfs/dbraw/zinc/06/16/69/865061669.db2.gz LWEMWDVYYDOMGV-DMUXHOQQSA-N 2 1 375.560 3.982 20 0 GHADMP C/C(=C/c1ccccc1)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554868776 865061684 /nfs/dbraw/zinc/06/16/84/865061684.db2.gz LWEMWDVYYDOMGV-DMUXHOQQSA-N 2 1 375.560 3.982 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000667723692 865080843 /nfs/dbraw/zinc/08/08/43/865080843.db2.gz AQDQKBJKNHRZPN-UHFFFAOYSA-N 2 1 378.520 3.665 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000480743568 865211777 /nfs/dbraw/zinc/21/17/77/865211777.db2.gz HYBDFBHSDBOVLK-GHTZIAJQSA-N 2 1 375.557 3.630 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000480743568 865211790 /nfs/dbraw/zinc/21/17/90/865211790.db2.gz HYBDFBHSDBOVLK-GHTZIAJQSA-N 2 1 375.557 3.630 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000480779800 865254158 /nfs/dbraw/zinc/25/41/58/865254158.db2.gz LKULCJNFOMJLRR-RBBKRZOGSA-N 2 1 391.575 3.868 20 0 GHADMP Cc1c(O)ccc2c(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)oc12 ZINC000173975415 865294539 /nfs/dbraw/zinc/29/45/39/865294539.db2.gz PALAJNNKGLOUGV-LJQANCHMSA-N 2 1 392.499 3.761 20 0 GHADMP Cc1c(O)ccc2c(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)oc12 ZINC000173975415 865294547 /nfs/dbraw/zinc/29/45/47/865294547.db2.gz PALAJNNKGLOUGV-LJQANCHMSA-N 2 1 392.499 3.761 20 0 GHADMP Cc1c(O)ccc2c(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)oc12 ZINC000173975415 865294557 /nfs/dbraw/zinc/29/45/57/865294557.db2.gz PALAJNNKGLOUGV-LJQANCHMSA-N 2 1 392.499 3.761 20 0 GHADMP Cc1c(O)ccc2c(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)oc12 ZINC000173975415 865294565 /nfs/dbraw/zinc/29/45/65/865294565.db2.gz PALAJNNKGLOUGV-LJQANCHMSA-N 2 1 392.499 3.761 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000667768764 865439721 /nfs/dbraw/zinc/43/97/21/865439721.db2.gz DWVCKTGIDYXTHY-NRFANRHFSA-N 2 1 380.536 3.830 20 0 GHADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000738312771 865528235 /nfs/dbraw/zinc/52/82/35/865528235.db2.gz CBAUIOUKPSIPCV-KNQAVFIVSA-N 2 1 386.584 3.668 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000608684920 865555430 /nfs/dbraw/zinc/55/54/30/865555430.db2.gz CNZZAKSTQQRWKW-FGZHOGPDSA-N 2 1 386.584 3.729 20 0 GHADMP COC(=O)COc1c(C)cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000063902121 865608361 /nfs/dbraw/zinc/60/83/61/865608361.db2.gz FFTZBMQYQHQHOC-UHFFFAOYSA-N 2 1 396.531 3.609 20 0 GHADMP Fc1cncc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000494560618 881910954 /nfs/dbraw/zinc/91/09/54/881910954.db2.gz ASPXFZDHPYWWNV-UHFFFAOYSA-N 2 1 390.506 3.833 20 0 GHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481164964 865904688 /nfs/dbraw/zinc/90/46/88/865904688.db2.gz ILPPJQRJMCSHFB-WMZHIEFXSA-N 2 1 397.538 3.674 20 0 GHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481164964 865904693 /nfs/dbraw/zinc/90/46/93/865904693.db2.gz ILPPJQRJMCSHFB-WMZHIEFXSA-N 2 1 397.538 3.674 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481203136 865999075 /nfs/dbraw/zinc/99/90/75/865999075.db2.gz STSSVGSCWJVLBP-NMMYMHLASA-N 2 1 393.575 3.926 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481203136 865999080 /nfs/dbraw/zinc/99/90/80/865999080.db2.gz STSSVGSCWJVLBP-NMMYMHLASA-N 2 1 393.575 3.926 20 0 GHADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014408 866037769 /nfs/dbraw/zinc/03/77/69/866037769.db2.gz VAPFSSKGFPXAJY-FCHUYYIVSA-N 2 1 399.623 3.958 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534085646 866105594 /nfs/dbraw/zinc/10/55/94/866105594.db2.gz LMDZSWAIIZQFPG-WOJBJXKFSA-N 2 1 392.975 3.649 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534085646 866105597 /nfs/dbraw/zinc/10/55/97/866105597.db2.gz LMDZSWAIIZQFPG-WOJBJXKFSA-N 2 1 392.975 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857048281 881961645 /nfs/dbraw/zinc/96/16/45/881961645.db2.gz XJSLPZJYMFVHOP-QFIPXVFZSA-N 2 1 388.515 3.920 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857048281 881961652 /nfs/dbraw/zinc/96/16/52/881961652.db2.gz XJSLPZJYMFVHOP-QFIPXVFZSA-N 2 1 388.515 3.920 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534231828 866337039 /nfs/dbraw/zinc/33/70/39/866337039.db2.gz AKMZIJWBIXUTBO-QHCPKHFHSA-N 2 1 394.559 3.723 20 0 GHADMP C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000857070100 881983714 /nfs/dbraw/zinc/98/37/14/881983714.db2.gz DDJWKGCPWKLRBQ-NSHGMRRFSA-N 2 1 375.557 3.790 20 0 GHADMP CCOc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCC ZINC000534349947 866598178 /nfs/dbraw/zinc/59/81/78/866598178.db2.gz JPECYVZKFHZKPG-KDURUIRLSA-N 2 1 390.568 3.805 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1Cc1ccccc1 ZINC000741797269 866802099 /nfs/dbraw/zinc/80/20/99/866802099.db2.gz QJNYNCKVMMJQFV-UHFFFAOYSA-N 2 1 381.564 4.000 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000127293070 866802529 /nfs/dbraw/zinc/80/25/29/866802529.db2.gz YYEROJHVZYTDNX-HOIFWPIMSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000444600658 866932934 /nfs/dbraw/zinc/93/29/34/866932934.db2.gz UDRCATAUWQMMQJ-OAQYLSRUSA-N 2 1 397.607 3.938 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444622357 866977104 /nfs/dbraw/zinc/97/71/04/866977104.db2.gz GFBYQLDDHPNFFH-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444622357 866977136 /nfs/dbraw/zinc/97/71/36/866977136.db2.gz GFBYQLDDHPNFFH-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(c4ccccc4)CCCC3)CC2)CC1 ZINC000553222182 867002724 /nfs/dbraw/zinc/00/27/24/867002724.db2.gz GMXBCDXGRXHHGW-UHFFFAOYSA-N 2 1 397.607 3.811 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001170428692 882062417 /nfs/dbraw/zinc/06/24/17/882062417.db2.gz LOEPDXQAOIALHX-LJQANCHMSA-N 2 1 382.504 3.695 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000429784517 867331132 /nfs/dbraw/zinc/33/11/32/867331132.db2.gz NUBMDMOCGQNRNE-JQVVWYNYSA-N 2 1 379.548 3.818 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000429784517 867331147 /nfs/dbraw/zinc/33/11/47/867331147.db2.gz NUBMDMOCGQNRNE-JQVVWYNYSA-N 2 1 379.548 3.818 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000429784517 867331163 /nfs/dbraw/zinc/33/11/63/867331163.db2.gz NUBMDMOCGQNRNE-JQVVWYNYSA-N 2 1 379.548 3.818 20 0 GHADMP CCC(CC)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1CCCC1 ZINC000523470880 867355732 /nfs/dbraw/zinc/35/57/32/867355732.db2.gz RNJSBLWVQZWAOM-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154548132 867458973 /nfs/dbraw/zinc/45/89/73/867458973.db2.gz CICPFRPFRWZBQK-LJQANCHMSA-N 2 1 385.474 3.580 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479421653 867715700 /nfs/dbraw/zinc/71/57/00/867715700.db2.gz RMAMOVLLLVIIET-HXUWFJFHSA-N 2 1 392.632 3.793 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000156894741 868495026 /nfs/dbraw/zinc/49/50/26/868495026.db2.gz DLXJODPZTZDCOA-XZOQPEGZSA-N 2 1 379.548 3.933 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2ccccc2o1 ZINC000156965744 868515656 /nfs/dbraw/zinc/51/56/56/868515656.db2.gz WXSVCUDRSIVYSD-UWJYYQICSA-N 2 1 391.515 3.981 20 0 GHADMP CN(C(=O)c1cnc2ccccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457655643 868583554 /nfs/dbraw/zinc/58/35/54/868583554.db2.gz BSNHLTGFLDAAFL-DHIUTWEWSA-N 2 1 394.563 3.644 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)CC1 ZINC000457664378 868597694 /nfs/dbraw/zinc/59/76/94/868597694.db2.gz VBGJOWGMVLIXLE-DEOSSOPVSA-N 2 1 398.595 3.546 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1 ZINC000157279061 868610473 /nfs/dbraw/zinc/61/04/73/868610473.db2.gz UURIDXKNIJKVHS-GOSISDBHSA-N 2 1 394.357 3.728 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)CC1 ZINC000445889071 869114314 /nfs/dbraw/zinc/11/43/14/869114314.db2.gz YFSIWZXZNGTGJH-LJQANCHMSA-N 2 1 399.501 3.596 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000524588594 869282924 /nfs/dbraw/zinc/28/29/24/869282924.db2.gz RUSYYRMEFWGLSP-JOCHJYFZSA-N 2 1 398.595 3.879 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000446135503 869422006 /nfs/dbraw/zinc/42/20/06/869422006.db2.gz GAJYXRINUOWZCO-LJQANCHMSA-N 2 1 386.584 3.687 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462717140 869960811 /nfs/dbraw/zinc/96/08/11/869960811.db2.gz VPGAOSRRQBZENV-SJBKTWHCSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462717140 869960818 /nfs/dbraw/zinc/96/08/18/869960818.db2.gz VPGAOSRRQBZENV-SJBKTWHCSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462717140 869960826 /nfs/dbraw/zinc/96/08/26/869960826.db2.gz VPGAOSRRQBZENV-SJBKTWHCSA-N 2 1 388.600 3.801 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n(C)c1C ZINC000462791872 870089344 /nfs/dbraw/zinc/08/93/44/870089344.db2.gz SXKJPSOAVDPSOM-KRWDZBQOSA-N 2 1 383.536 3.784 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000248140107 870298178 /nfs/dbraw/zinc/29/81/78/870298178.db2.gz PMYWTWSVEBVNGB-FGCOXFRFSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000248140107 870298193 /nfs/dbraw/zinc/29/81/93/870298193.db2.gz PMYWTWSVEBVNGB-FGCOXFRFSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000248140107 870298201 /nfs/dbraw/zinc/29/82/01/870298201.db2.gz PMYWTWSVEBVNGB-FGCOXFRFSA-N 2 1 384.612 3.926 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000248138130 870298430 /nfs/dbraw/zinc/29/84/30/870298430.db2.gz XWLXMFSCDKPRNK-ZVDOUQERSA-N 2 1 398.576 3.630 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(Cl)c1 ZINC000538692457 870312388 /nfs/dbraw/zinc/31/23/88/870312388.db2.gz HQHHUAISAABLKZ-HXUWFJFHSA-N 2 1 377.960 3.714 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248402885 870374388 /nfs/dbraw/zinc/37/43/88/870374388.db2.gz WLMXVKZYGFRJLQ-GZOXUSKESA-N 2 1 379.548 3.988 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248402885 870374417 /nfs/dbraw/zinc/37/44/17/870374417.db2.gz WLMXVKZYGFRJLQ-GZOXUSKESA-N 2 1 379.548 3.988 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000538724236 870430922 /nfs/dbraw/zinc/43/09/22/870430922.db2.gz YVOHIBASCORRPD-VGSWGCGISA-N 2 1 385.527 3.852 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000538724236 870430930 /nfs/dbraw/zinc/43/09/30/870430930.db2.gz YVOHIBASCORRPD-VGSWGCGISA-N 2 1 385.527 3.852 20 0 GHADMP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1cccc(Br)c1 ZINC000538796180 870624577 /nfs/dbraw/zinc/62/45/77/870624577.db2.gz TUKQDFWVMWCOJH-GRGSLBFTSA-N 2 1 381.358 3.736 20 0 GHADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1cccc(Br)c1 ZINC000538796180 870624582 /nfs/dbraw/zinc/62/45/82/870624582.db2.gz TUKQDFWVMWCOJH-GRGSLBFTSA-N 2 1 381.358 3.736 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000248801568 870640217 /nfs/dbraw/zinc/64/02/17/870640217.db2.gz JTERWPMWBQIMRD-LAUBAEHRSA-N 2 1 391.515 3.745 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000920921324 882441138 /nfs/dbraw/zinc/44/11/38/882441138.db2.gz YSXDTXUDIQCNBC-UHFFFAOYSA-N 2 1 392.563 3.555 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000920921324 882441145 /nfs/dbraw/zinc/44/11/45/882441145.db2.gz YSXDTXUDIQCNBC-UHFFFAOYSA-N 2 1 392.563 3.555 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000122211760 882442902 /nfs/dbraw/zinc/44/29/02/882442902.db2.gz VKWLDVQAMGDMPL-HXUWFJFHSA-N 2 1 389.584 3.701 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1)C[C@H]1CCCCO1 ZINC000775559000 870822698 /nfs/dbraw/zinc/82/26/98/870822698.db2.gz CDFJBAXHQSIIMR-OAQYLSRUSA-N 2 1 387.568 3.889 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249725598 870890955 /nfs/dbraw/zinc/89/09/55/870890955.db2.gz LYJYTEYDXUPYHF-MOPGFXCFSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249725598 870890968 /nfs/dbraw/zinc/89/09/68/870890968.db2.gz LYJYTEYDXUPYHF-MOPGFXCFSA-N 2 1 397.567 3.559 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168837113 870895963 /nfs/dbraw/zinc/89/59/63/870895963.db2.gz ZVBARQNLAMYMGE-YJBOKZPZSA-N 2 1 393.959 3.988 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463115994 870952083 /nfs/dbraw/zinc/95/20/83/870952083.db2.gz ALJJKLIWYGOHTO-QFIPXVFZSA-N 2 1 379.548 3.571 20 0 GHADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946083 870954513 /nfs/dbraw/zinc/95/45/13/870954513.db2.gz LHMYXDKGCHUHDN-OBXNSHGQSA-N 2 1 386.584 3.703 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000447094983 871015227 /nfs/dbraw/zinc/01/52/27/871015227.db2.gz AUJQACQMOQHNFH-RVSNTGDXSA-N 2 1 398.522 3.899 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC000667195391 871197702 /nfs/dbraw/zinc/19/77/02/871197702.db2.gz XACKOAVFWNCTKH-UNMCSNQZSA-N 2 1 378.520 3.632 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134018 871223256 /nfs/dbraw/zinc/22/32/56/871223256.db2.gz PHISCOOOPPYQGP-PLACYPQZSA-N 2 1 375.507 3.849 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)c2ccccc12 ZINC001169112860 871241716 /nfs/dbraw/zinc/24/17/16/871241716.db2.gz MYGXGIBMGPXVHR-KOSHJBKYSA-N 2 1 391.515 3.530 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4OC)cc3)C2)CC1 ZINC000093133077 882493473 /nfs/dbraw/zinc/49/34/73/882493473.db2.gz KVPBLXRGFQCFOZ-QFIPXVFZSA-N 2 1 379.548 3.574 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(-n3ccc([C@@H](C)[NH3+])n3)c2c1C ZINC001169229996 871320536 /nfs/dbraw/zinc/32/05/36/871320536.db2.gz NKSRQXZVVBYLIX-CQSZACIVSA-N 2 1 384.553 3.745 20 0 GHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539145569 871372547 /nfs/dbraw/zinc/37/25/47/871372547.db2.gz IVFRZWYTBXFYPR-FGTMMUONSA-N 2 1 380.960 3.991 20 0 GHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539145569 871372562 /nfs/dbraw/zinc/37/25/62/871372562.db2.gz IVFRZWYTBXFYPR-FGTMMUONSA-N 2 1 380.960 3.991 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000461998245 871415106 /nfs/dbraw/zinc/41/51/06/871415106.db2.gz XWOBJCDVYCUPSU-IRLDBZIGSA-N 2 1 388.600 3.660 20 0 GHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001169366650 871431755 /nfs/dbraw/zinc/43/17/55/871431755.db2.gz MIILPSVTKRXUMR-SNJCGAMXSA-N 2 1 385.596 3.960 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000191568472 882518196 /nfs/dbraw/zinc/51/81/96/882518196.db2.gz DCUWGKKPFBCNEU-UHFFFAOYSA-N 2 1 398.570 3.682 20 0 GHADMP CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001169396950 871467793 /nfs/dbraw/zinc/46/77/93/871467793.db2.gz VPXHBAKDLIWMHH-XMMPIXPASA-N 2 1 382.548 3.682 20 0 GHADMP CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001169396950 871467799 /nfs/dbraw/zinc/46/77/99/871467799.db2.gz VPXHBAKDLIWMHH-XMMPIXPASA-N 2 1 382.548 3.682 20 0 GHADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000462112793 871635630 /nfs/dbraw/zinc/63/56/30/871635630.db2.gz TUSGFQYFNAIOEL-OAQYLSRUSA-N 2 1 392.559 3.787 20 0 GHADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000539307573 871703976 /nfs/dbraw/zinc/70/39/76/871703976.db2.gz NIPAUJVUKSIKMF-FZKQIMNGSA-N 2 1 399.398 3.668 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000060581694 882539820 /nfs/dbraw/zinc/53/98/20/882539820.db2.gz CFWWRLKMIMRFGF-NHCUHLMSSA-N 2 1 385.577 3.912 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447533312 871794920 /nfs/dbraw/zinc/79/49/20/871794920.db2.gz ZSCIBYUXHNZVDA-QHCPKHFHSA-N 2 1 397.538 3.642 20 0 GHADMP CC1([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001169758133 871844350 /nfs/dbraw/zinc/84/43/50/871844350.db2.gz UWLQHPGFYOIRGT-QHCPKHFHSA-N 2 1 391.559 3.936 20 0 GHADMP O=C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1c1ccccc1 ZINC000447561240 871866694 /nfs/dbraw/zinc/86/66/94/871866694.db2.gz GZXUUHYJEZEJMO-PRTQVNTJSA-N 2 1 375.516 3.577 20 0 GHADMP O=C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1c1ccccc1 ZINC000447561240 871866714 /nfs/dbraw/zinc/86/67/14/871866714.db2.gz GZXUUHYJEZEJMO-PRTQVNTJSA-N 2 1 375.516 3.577 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)c2cccs2)CC1 ZINC000552040288 871920613 /nfs/dbraw/zinc/92/06/13/871920613.db2.gz WERFABFWHDLQFQ-AZUAARDMSA-N 2 1 387.597 3.671 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000552048392 871934188 /nfs/dbraw/zinc/93/41/88/871934188.db2.gz QZLUFRDDIFTEJC-VNXZQDSDSA-N 2 1 382.548 3.768 20 0 GHADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552065680 871969012 /nfs/dbraw/zinc/96/90/12/871969012.db2.gz JXWIATDOMJTPOX-VWPQPMDRSA-N 2 1 384.568 3.704 20 0 GHADMP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552065680 871969026 /nfs/dbraw/zinc/96/90/26/871969026.db2.gz JXWIATDOMJTPOX-VWPQPMDRSA-N 2 1 384.568 3.704 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071473 871979579 /nfs/dbraw/zinc/97/95/79/871979579.db2.gz HRQOHFWHRTXUMO-HIFRSBDPSA-N 2 1 383.330 3.525 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071473 871979587 /nfs/dbraw/zinc/97/95/87/871979587.db2.gz HRQOHFWHRTXUMO-HIFRSBDPSA-N 2 1 383.330 3.525 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071473 871979592 /nfs/dbraw/zinc/97/95/92/871979592.db2.gz HRQOHFWHRTXUMO-HIFRSBDPSA-N 2 1 383.330 3.525 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071473 871979596 /nfs/dbraw/zinc/97/95/96/871979596.db2.gz HRQOHFWHRTXUMO-HIFRSBDPSA-N 2 1 383.330 3.525 20 0 GHADMP c1[nH+]c2cc(NCCOc3ccc4c(c3)OCO4)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001169932256 872022179 /nfs/dbraw/zinc/02/21/79/872022179.db2.gz SUDLUXCLRILAJH-KRWDZBQOSA-N 2 1 394.475 3.571 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)s1 ZINC000552136202 872080251 /nfs/dbraw/zinc/08/02/51/872080251.db2.gz BTFWISCFFSBZOR-MOPGFXCFSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4C)CC3)C2=O)cc1 ZINC000477923419 872154536 /nfs/dbraw/zinc/15/45/36/872154536.db2.gz AGRZLKABUIPLMF-AJSBUHFISA-N 2 1 383.580 3.729 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@H](C)C1 ZINC000447732821 872219146 /nfs/dbraw/zinc/21/91/46/872219146.db2.gz YCHVEUTVTNUBNB-XMSQKQJNSA-N 2 1 383.536 3.831 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@H](C)C1 ZINC000447732821 872219165 /nfs/dbraw/zinc/21/91/65/872219165.db2.gz YCHVEUTVTNUBNB-XMSQKQJNSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@H](C)C1 ZINC000447732821 872219184 /nfs/dbraw/zinc/21/91/84/872219184.db2.gz YCHVEUTVTNUBNB-XMSQKQJNSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@H](C)C1 ZINC000447732821 872219200 /nfs/dbraw/zinc/21/92/00/872219200.db2.gz YCHVEUTVTNUBNB-XMSQKQJNSA-N 2 1 383.536 3.831 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000175515435 882591394 /nfs/dbraw/zinc/59/13/94/882591394.db2.gz HHMIYEYNNCTYHW-BJLQDIEVSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000175515435 882591397 /nfs/dbraw/zinc/59/13/97/882591397.db2.gz HHMIYEYNNCTYHW-BJLQDIEVSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000175515435 882591405 /nfs/dbraw/zinc/59/14/05/882591405.db2.gz HHMIYEYNNCTYHW-BJLQDIEVSA-N 2 1 392.613 3.504 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122444259 882604125 /nfs/dbraw/zinc/60/41/25/882604125.db2.gz KZEPRWQHUOOKKM-XMSQKQJNSA-N 2 1 387.568 3.652 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122444259 882604132 /nfs/dbraw/zinc/60/41/32/882604132.db2.gz KZEPRWQHUOOKKM-XMSQKQJNSA-N 2 1 387.568 3.652 20 0 GHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)ccc1OC ZINC000857875436 882604859 /nfs/dbraw/zinc/60/48/59/882604859.db2.gz OJMHTJXXUUBJSE-SBUREZEXSA-N 2 1 395.547 3.901 20 0 GHADMP Cc1c2cccc(Cl)c2oc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000619177273 872396466 /nfs/dbraw/zinc/39/64/66/872396466.db2.gz FJVHJIQWPGTVNX-UHFFFAOYSA-N 2 1 384.867 3.794 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001195425793 872413930 /nfs/dbraw/zinc/41/39/30/872413930.db2.gz MFDVFFRZTFICRI-PNJWGLBASA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001195425793 872413941 /nfs/dbraw/zinc/41/39/41/872413941.db2.gz MFDVFFRZTFICRI-PNJWGLBASA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001195425793 872413949 /nfs/dbraw/zinc/41/39/49/872413949.db2.gz MFDVFFRZTFICRI-PNJWGLBASA-N 2 1 397.607 3.914 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000552319274 872431842 /nfs/dbraw/zinc/43/18/42/872431842.db2.gz IEYLBEVCKJPXOO-OXJNMPFZSA-N 2 1 384.511 3.849 20 0 GHADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000552457821 872663101 /nfs/dbraw/zinc/66/31/01/872663101.db2.gz GNISPFIAHVSVPQ-DEOSSOPVSA-N 2 1 391.559 3.671 20 0 GHADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1Cc1ccccc1 ZINC000552457821 872663108 /nfs/dbraw/zinc/66/31/08/872663108.db2.gz GNISPFIAHVSVPQ-DEOSSOPVSA-N 2 1 391.559 3.671 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000478386575 872920767 /nfs/dbraw/zinc/92/07/67/872920767.db2.gz AOEFYKOIDCFCRU-JKSUJKDBSA-N 2 1 398.954 3.598 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)CC1 ZINC000541201120 873125047 /nfs/dbraw/zinc/12/50/47/873125047.db2.gz ARSHWTQDVUVJNE-XTXLJPNXSA-N 2 1 389.609 3.995 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)CC1 ZINC000541205373 873132416 /nfs/dbraw/zinc/13/24/16/873132416.db2.gz ZCFYHUABMDIEJL-ZBTAVZRMSA-N 2 1 375.582 3.606 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000527514681 873235817 /nfs/dbraw/zinc/23/58/17/873235817.db2.gz LADYFLHXAMNQBE-YQHFOJDRSA-N 2 1 381.524 3.558 20 0 GHADMP C[N@@H+](CCCn1ccnc1)Cn1ncc2cccc(OCc3ccccc3)c21 ZINC000768494060 873354050 /nfs/dbraw/zinc/35/40/50/873354050.db2.gz MJEOPPXGWYJTPS-UHFFFAOYSA-N 2 1 375.476 3.791 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858013853 882722198 /nfs/dbraw/zinc/72/21/98/882722198.db2.gz GLPGRJQAWQKBDT-JOCHJYFZSA-N 2 1 381.520 3.553 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000448471257 873437545 /nfs/dbraw/zinc/43/75/45/873437545.db2.gz CAJYXYZDCAPEGU-UXHICEINSA-N 2 1 388.600 3.783 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197167398 873633856 /nfs/dbraw/zinc/63/38/56/873633856.db2.gz HOLMPCZYJDHSGB-OALUTQOASA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197167398 873633862 /nfs/dbraw/zinc/63/38/62/873633862.db2.gz HOLMPCZYJDHSGB-OALUTQOASA-N 2 1 376.545 3.693 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076428840 882749961 /nfs/dbraw/zinc/74/99/61/882749961.db2.gz JSQSLDRPEOHAKG-QHCPKHFHSA-N 2 1 377.532 3.736 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)n1cccn1 ZINC000527938667 873778718 /nfs/dbraw/zinc/77/87/18/873778718.db2.gz KSYXIFWGKLIWEM-NMLBUPMWSA-N 2 1 392.469 3.877 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000541537323 873826722 /nfs/dbraw/zinc/82/67/22/873826722.db2.gz LTSIRSOCHANQOR-HSZRJFAPSA-N 2 1 376.504 3.799 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149227 873849199 /nfs/dbraw/zinc/84/91/99/873849199.db2.gz ZBISISUMQIGQDT-ZCNNSNEGSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149227 873849218 /nfs/dbraw/zinc/84/92/18/873849218.db2.gz ZBISISUMQIGQDT-ZCNNSNEGSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149227 873849230 /nfs/dbraw/zinc/84/92/30/873849230.db2.gz ZBISISUMQIGQDT-ZCNNSNEGSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149227 873849240 /nfs/dbraw/zinc/84/92/40/873849240.db2.gz ZBISISUMQIGQDT-ZCNNSNEGSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149227 873849251 /nfs/dbraw/zinc/84/92/51/873849251.db2.gz ZBISISUMQIGQDT-ZCNNSNEGSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769214245 873897818 /nfs/dbraw/zinc/89/78/18/873897818.db2.gz FAWMLMDBJJKWQQ-UHFFFAOYSA-N 2 1 376.541 3.825 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769214245 873897834 /nfs/dbraw/zinc/89/78/34/873897834.db2.gz FAWMLMDBJJKWQQ-UHFFFAOYSA-N 2 1 376.541 3.825 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCCCSc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601312 873921959 /nfs/dbraw/zinc/92/19/59/873921959.db2.gz YBIUHTIYIAEWDS-MOPGFXCFSA-N 2 1 389.609 3.528 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCCCSc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601312 873921964 /nfs/dbraw/zinc/92/19/64/873921964.db2.gz YBIUHTIYIAEWDS-MOPGFXCFSA-N 2 1 389.609 3.528 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603569 873967291 /nfs/dbraw/zinc/96/72/91/873967291.db2.gz QRMLODSBBYHHEQ-IPJJNNNSSA-N 2 1 388.596 3.966 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001198270251 874340286 /nfs/dbraw/zinc/34/02/86/874340286.db2.gz JGIUPJOVGMEJQH-SDHSZQHLSA-N 2 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001198270251 874340298 /nfs/dbraw/zinc/34/02/98/874340298.db2.gz JGIUPJOVGMEJQH-SDHSZQHLSA-N 2 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001198270251 874340309 /nfs/dbraw/zinc/34/03/09/874340309.db2.gz JGIUPJOVGMEJQH-SDHSZQHLSA-N 2 1 377.576 3.786 20 0 GHADMP CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449127859 874512166 /nfs/dbraw/zinc/51/21/66/874512166.db2.gz YDIZFCAFOJCBQR-OAQYLSRUSA-N 2 1 387.612 3.955 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000541915584 874519092 /nfs/dbraw/zinc/51/90/92/874519092.db2.gz RMWMPXIQFXMXNR-UGKGYDQZSA-N 2 1 395.503 3.587 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000449155921 874544205 /nfs/dbraw/zinc/54/42/05/874544205.db2.gz CMGWXTIABRAFRM-BEFAXECRSA-N 2 1 375.538 3.734 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000449155921 874544212 /nfs/dbraw/zinc/54/42/12/874544212.db2.gz CMGWXTIABRAFRM-BEFAXECRSA-N 2 1 375.538 3.734 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000302990876 874754637 /nfs/dbraw/zinc/75/46/37/874754637.db2.gz FZYFVOBASXWKSY-DHIUTWEWSA-N 2 1 388.596 3.795 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000302990876 874754650 /nfs/dbraw/zinc/75/46/50/874754650.db2.gz FZYFVOBASXWKSY-DHIUTWEWSA-N 2 1 388.596 3.795 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528671368 874894440 /nfs/dbraw/zinc/89/44/40/874894440.db2.gz XGMDZJNHVUXRNQ-FPOVZHCZSA-N 2 1 389.971 3.639 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528671368 874894445 /nfs/dbraw/zinc/89/44/45/874894445.db2.gz XGMDZJNHVUXRNQ-FPOVZHCZSA-N 2 1 389.971 3.639 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)NCc3ccccc3Cl)C2)CC1 ZINC000303057751 874908814 /nfs/dbraw/zinc/90/88/14/874908814.db2.gz XFLBTIAMCNLAEF-IBGZPJMESA-N 2 1 391.987 3.790 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC000528700501 874913290 /nfs/dbraw/zinc/91/32/90/874913290.db2.gz JKUJCEAASZMCDF-YFNKSVMNSA-N 2 1 397.607 3.725 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC000528700501 874913300 /nfs/dbraw/zinc/91/33/00/874913300.db2.gz JKUJCEAASZMCDF-YFNKSVMNSA-N 2 1 397.607 3.725 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC000528700501 874913314 /nfs/dbraw/zinc/91/33/14/874913314.db2.gz JKUJCEAASZMCDF-YFNKSVMNSA-N 2 1 397.607 3.725 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)cc1I ZINC001199354589 874920508 /nfs/dbraw/zinc/92/05/08/874920508.db2.gz WDLOJVSPFVHYPI-HZPDHXFCSA-N 2 1 384.305 3.624 20 0 GHADMP Cc1cccc(C2(C[NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)CCCCC2)c1 ZINC001199367214 874947856 /nfs/dbraw/zinc/94/78/56/874947856.db2.gz SPAVOECHTRJILL-UHFFFAOYSA-N 2 1 393.579 3.529 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC000776009416 875119710 /nfs/dbraw/zinc/11/97/10/875119710.db2.gz SRBSBCGJYOFCLZ-UHFFFAOYSA-N 2 1 397.485 3.562 20 0 GHADMP C[C@@H]1CCCN(Cc2csc(NC(=O)NC[C@H]3CC[N@H+]3C3CCCC3)n2)C1 ZINC000528879034 875207252 /nfs/dbraw/zinc/20/72/52/875207252.db2.gz VIJJRXFEULGFAA-CRAIPNDOSA-N 2 1 391.585 3.513 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000528906948 875248612 /nfs/dbraw/zinc/24/86/12/875248612.db2.gz NLDONHUMWNBWTG-WXFUMESZSA-N 2 1 397.607 3.725 20 0 GHADMP CC[N@@H+](CCC1CCN([C@@H](C)C(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475219 875277977 /nfs/dbraw/zinc/27/79/77/875277977.db2.gz GYKDCJVGNGLXHW-INIZCTEOSA-N 2 1 392.975 3.896 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2CCC(C)C)CC1 ZINC001168112399 875305728 /nfs/dbraw/zinc/30/57/28/875305728.db2.gz JAEZTZFKOKWVIB-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2CCC(C)C)CC1 ZINC001168112399 875305743 /nfs/dbraw/zinc/30/57/43/875305743.db2.gz JAEZTZFKOKWVIB-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2CCC(C)C)CC1 ZINC001168112399 875305758 /nfs/dbraw/zinc/30/57/58/875305758.db2.gz JAEZTZFKOKWVIB-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000303235439 875322582 /nfs/dbraw/zinc/32/25/82/875322582.db2.gz WZXKLAJCMVREIO-RTWAWAEBSA-N 2 1 392.632 3.795 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001201409500 875688449 /nfs/dbraw/zinc/68/84/49/875688449.db2.gz VJJFCDDJEWITGN-RTBURBONSA-N 2 1 375.582 3.802 20 0 GHADMP c1ccc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201409489 875688756 /nfs/dbraw/zinc/68/87/56/875688756.db2.gz VFTPTCHEHXPODT-VTZPFEBOSA-N 2 1 395.591 3.988 20 0 GHADMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201409489 875688763 /nfs/dbraw/zinc/68/87/63/875688763.db2.gz VFTPTCHEHXPODT-VTZPFEBOSA-N 2 1 395.591 3.988 20 0 GHADMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201409489 875688771 /nfs/dbraw/zinc/68/87/71/875688771.db2.gz VFTPTCHEHXPODT-VTZPFEBOSA-N 2 1 395.591 3.988 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000491529037 875762078 /nfs/dbraw/zinc/76/20/78/875762078.db2.gz GGXXJPKLCULDEJ-AVRDEDQJSA-N 2 1 375.516 3.681 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000491529037 875762085 /nfs/dbraw/zinc/76/20/85/875762085.db2.gz GGXXJPKLCULDEJ-AVRDEDQJSA-N 2 1 375.516 3.681 20 0 GHADMP Cc1nc(CN2CCO[C@@H]3C[N@@H+](CCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001201664616 875822991 /nfs/dbraw/zinc/82/29/91/875822991.db2.gz WDOPUQAOHRGSIL-IFMALSPDSA-N 2 1 385.577 3.607 20 0 GHADMP Cc1nc(C[N@@H+]2CCO[C@@H]3C[NH+](CCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001201664616 875823004 /nfs/dbraw/zinc/82/30/04/875823004.db2.gz WDOPUQAOHRGSIL-IFMALSPDSA-N 2 1 385.577 3.607 20 0 GHADMP Cc1nc(C[N@H+]2CCO[C@@H]3C[NH+](CCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001201664616 875823018 /nfs/dbraw/zinc/82/30/18/875823018.db2.gz WDOPUQAOHRGSIL-IFMALSPDSA-N 2 1 385.577 3.607 20 0 GHADMP Cc1nc(C[NH+]2CCO[C@@H]3C[N@H+](CCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001201664616 875823025 /nfs/dbraw/zinc/82/30/25/875823025.db2.gz WDOPUQAOHRGSIL-IFMALSPDSA-N 2 1 385.577 3.607 20 0 GHADMP Cc1nc(C[NH+]2CCO[C@@H]3C[N@@H+](CCCc4ccccc4)CC[C@@H]3C2)cs1 ZINC001201664616 875823033 /nfs/dbraw/zinc/82/30/33/875823033.db2.gz WDOPUQAOHRGSIL-IFMALSPDSA-N 2 1 385.577 3.607 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000192606972 882967119 /nfs/dbraw/zinc/96/71/19/882967119.db2.gz NMDYQJSOFGAACT-APWZRJJASA-N 2 1 381.545 3.743 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000192606972 882967136 /nfs/dbraw/zinc/96/71/36/882967136.db2.gz NMDYQJSOFGAACT-APWZRJJASA-N 2 1 381.545 3.743 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000303591898 875858012 /nfs/dbraw/zinc/85/80/12/875858012.db2.gz OXOJZKCREFLPAG-QHCPKHFHSA-N 2 1 385.596 3.869 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000303591898 875858018 /nfs/dbraw/zinc/85/80/18/875858018.db2.gz OXOJZKCREFLPAG-QHCPKHFHSA-N 2 1 385.596 3.869 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000303591898 875858025 /nfs/dbraw/zinc/85/80/25/875858025.db2.gz OXOJZKCREFLPAG-QHCPKHFHSA-N 2 1 385.596 3.869 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC(C)(C)c2ccc(Br)cc2)CCCO1 ZINC001201980474 875942712 /nfs/dbraw/zinc/94/27/12/875942712.db2.gz DBRSYJNCCHAOOK-MRXNPFEDSA-N 2 1 383.374 3.817 20 0 GHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000450084274 875964260 /nfs/dbraw/zinc/96/42/60/875964260.db2.gz YZTLLJSAAHQPOF-UHFFFAOYSA-N 2 1 391.519 3.819 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000450084274 875964275 /nfs/dbraw/zinc/96/42/75/875964275.db2.gz YZTLLJSAAHQPOF-UHFFFAOYSA-N 2 1 391.519 3.819 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000173416406 876376067 /nfs/dbraw/zinc/37/60/67/876376067.db2.gz NDWORBHTMVMFFX-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000173416406 876376077 /nfs/dbraw/zinc/37/60/77/876376077.db2.gz NDWORBHTMVMFFX-NRFANRHFSA-N 2 1 398.551 3.537 20 0 GHADMP CC[N@H+](Cc1ccn(CC(F)(F)F)n1)CC1CCN(c2ccccn2)CC1 ZINC000450452490 876454220 /nfs/dbraw/zinc/45/42/20/876454220.db2.gz HUIUMSWIOFEDEM-UHFFFAOYSA-N 2 1 381.446 3.579 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC[N@H+]1C ZINC000173816466 876662172 /nfs/dbraw/zinc/66/21/72/876662172.db2.gz ZDRHRYKFIOSSCP-UXPWSPDFSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123117959 883051343 /nfs/dbraw/zinc/05/13/43/883051343.db2.gz SQRMYFLECOZEQT-OAHLLOKOSA-N 2 1 383.483 3.669 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1)C[C@@H]1CCC[C@@H]1O ZINC000450623142 876669806 /nfs/dbraw/zinc/66/98/06/876669806.db2.gz PEBRFLVJYHPVHM-MXNKGDRCSA-N 2 1 394.987 3.526 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1)C[C@H]1CCC[C@@H]1O ZINC000450623142 876669818 /nfs/dbraw/zinc/66/98/18/876669818.db2.gz PEBRFLVJYHPVHM-MXNKGDRCSA-N 2 1 394.987 3.526 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1)C[C@H]1CCC[C@@H]1O ZINC000450623142 876669827 /nfs/dbraw/zinc/66/98/27/876669827.db2.gz PEBRFLVJYHPVHM-MXNKGDRCSA-N 2 1 394.987 3.526 20 0 GHADMP O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786402067 876698493 /nfs/dbraw/zinc/69/84/93/876698493.db2.gz VZUDKHARUMTSJG-QGZVFWFLSA-N 2 1 398.413 3.636 20 0 GHADMP O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786402067 876698502 /nfs/dbraw/zinc/69/85/02/876698502.db2.gz VZUDKHARUMTSJG-QGZVFWFLSA-N 2 1 398.413 3.636 20 0 GHADMP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000450648882 876728006 /nfs/dbraw/zinc/72/80/06/876728006.db2.gz IPDCIDISSRGGBS-FQEVSTJZSA-N 2 1 396.531 3.699 20 0 GHADMP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962854 876748339 /nfs/dbraw/zinc/74/83/39/876748339.db2.gz IPZHXMWWTKDIBE-QGZVFWFLSA-N 2 1 393.959 3.552 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3N3CCCCC3)cc2)C1 ZINC000850357199 876846233 /nfs/dbraw/zinc/84/62/33/876846233.db2.gz AODBYSFJECPMSV-QHCPKHFHSA-N 2 1 379.548 3.533 20 0 GHADMP CC1(C)CCc2cc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)ccc2O1 ZINC000850357900 876848690 /nfs/dbraw/zinc/84/86/90/876848690.db2.gz XVYCUUZTTQRERN-QFIPXVFZSA-N 2 1 380.532 3.647 20 0 GHADMP C[NH+](C)Cc1cnc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000850402516 876882732 /nfs/dbraw/zinc/88/27/32/876882732.db2.gz MUFSADJMAAUKCI-LJQANCHMSA-N 2 1 384.593 3.597 20 0 GHADMP C[NH+](C)Cc1cnc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000850402516 876882734 /nfs/dbraw/zinc/88/27/34/876882734.db2.gz MUFSADJMAAUKCI-LJQANCHMSA-N 2 1 384.593 3.597 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1F ZINC000786796772 876958171 /nfs/dbraw/zinc/95/81/71/876958171.db2.gz FVHGRJIOZOTEEU-HNNXBMFYSA-N 2 1 393.466 3.700 20 0 GHADMP CCCC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000193070026 883086053 /nfs/dbraw/zinc/08/60/53/883086053.db2.gz NJGLUTNAEKNXKE-WOJBJXKFSA-N 2 1 384.524 3.592 20 0 GHADMP CCCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000193070026 883086070 /nfs/dbraw/zinc/08/60/70/883086070.db2.gz NJGLUTNAEKNXKE-WOJBJXKFSA-N 2 1 384.524 3.592 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000174453994 877033822 /nfs/dbraw/zinc/03/38/22/877033822.db2.gz RNFWKKXOQBYDLI-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(F)ccc1Cl ZINC000551477007 877286004 /nfs/dbraw/zinc/28/60/04/877286004.db2.gz OSTJRXXQLXEHEN-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP C[NH+](C)CC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CCCCC1 ZINC000787284875 877294514 /nfs/dbraw/zinc/29/45/14/877294514.db2.gz UMPFCVGWUJVLEE-UHFFFAOYSA-N 2 1 392.975 3.542 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000746675233 877328099 /nfs/dbraw/zinc/32/80/99/877328099.db2.gz LUJBHWPHTMKKCN-AVRDEDQJSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000746675233 877328114 /nfs/dbraw/zinc/32/81/14/877328114.db2.gz LUJBHWPHTMKKCN-AVRDEDQJSA-N 2 1 383.536 3.600 20 0 GHADMP Cc1cc(N2CCC([NH2+]CC3(O)CCC(c4ccccc4)CC3)CC2)nc(C)[nH+]1 ZINC000530232782 877335781 /nfs/dbraw/zinc/33/57/81/877335781.db2.gz SETPYSRRRIYIGB-UHFFFAOYSA-N 2 1 394.563 3.741 20 0 GHADMP Cc1ccccc1[C@@H](C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000551566142 877445661 /nfs/dbraw/zinc/44/56/61/877445661.db2.gz YZWBXOIUAGILCV-HXUWFJFHSA-N 2 1 381.568 3.756 20 0 GHADMP Cc1ccccc1[C@@H](C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000551566142 877445674 /nfs/dbraw/zinc/44/56/74/877445674.db2.gz YZWBXOIUAGILCV-HXUWFJFHSA-N 2 1 381.568 3.756 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000477409454 877581847 /nfs/dbraw/zinc/58/18/47/877581847.db2.gz WYWHWHKSLCPRAR-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000477409454 877581855 /nfs/dbraw/zinc/58/18/55/877581855.db2.gz WYWHWHKSLCPRAR-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000477409454 877581872 /nfs/dbraw/zinc/58/18/72/877581872.db2.gz WYWHWHKSLCPRAR-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCc1cccs1 ZINC000615315449 877631850 /nfs/dbraw/zinc/63/18/50/877631850.db2.gz DXEADZDWDJDFNR-QZTJIDSGSA-N 2 1 385.577 3.917 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)CC2 ZINC000615441559 877741592 /nfs/dbraw/zinc/74/15/92/877741592.db2.gz WHSCKZUYOGLVGK-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000551778895 877794646 /nfs/dbraw/zinc/79/46/46/877794646.db2.gz JJRNXRUKUCYEPP-RBUKOAKNSA-N 2 1 383.502 3.957 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000851812296 877923901 /nfs/dbraw/zinc/92/39/01/877923901.db2.gz HGJHLZWXKBEQQN-MJGOQNOKSA-N 2 1 390.505 3.547 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000245475749 877956723 /nfs/dbraw/zinc/95/67/23/877956723.db2.gz SEVXVKOFGGDFHR-IRXDYDNUSA-N 2 1 379.976 3.753 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245550207 878095121 /nfs/dbraw/zinc/09/51/21/878095121.db2.gz HDIYYSLLZQTMEU-UXHICEINSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245550207 878095145 /nfs/dbraw/zinc/09/51/45/878095145.db2.gz HDIYYSLLZQTMEU-UXHICEINSA-N 2 1 392.975 3.505 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085347 878100707 /nfs/dbraw/zinc/10/07/07/878100707.db2.gz HOAFAWIWNXOQCH-SBHAEUEKSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085347 878100713 /nfs/dbraw/zinc/10/07/13/878100713.db2.gz HOAFAWIWNXOQCH-SBHAEUEKSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085347 878100719 /nfs/dbraw/zinc/10/07/19/878100719.db2.gz HOAFAWIWNXOQCH-SBHAEUEKSA-N 2 1 378.582 3.538 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525863 878158556 /nfs/dbraw/zinc/15/85/56/878158556.db2.gz CHTDWVUIHLZTOM-QGZVFWFLSA-N 2 1 375.557 3.872 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300532 878211459 /nfs/dbraw/zinc/21/14/59/878211459.db2.gz IYVRXSPQRPLVBJ-LJQANCHMSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300532 878211477 /nfs/dbraw/zinc/21/14/77/878211477.db2.gz IYVRXSPQRPLVBJ-LJQANCHMSA-N 2 1 376.545 3.551 20 0 GHADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000245656729 878297269 /nfs/dbraw/zinc/29/72/69/878297269.db2.gz CQJOZTSHPDHFSI-PKOBYXMFSA-N 2 1 380.602 3.549 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000176626491 878331263 /nfs/dbraw/zinc/33/12/63/878331263.db2.gz OGFADKSCTXXSBS-PSWRPDDJSA-N 2 1 386.584 3.554 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000537943532 878559318 /nfs/dbraw/zinc/55/93/18/878559318.db2.gz QOFAETZXIMYCKE-WWMYMODYSA-N 2 1 397.966 3.784 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537967720 878638115 /nfs/dbraw/zinc/63/81/15/878638115.db2.gz WWAHRUXISDOHER-XXBNENTESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537967720 878638126 /nfs/dbraw/zinc/63/81/26/878638126.db2.gz WWAHRUXISDOHER-XXBNENTESA-N 2 1 383.580 3.668 20 0 GHADMP c1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000451896031 878653519 /nfs/dbraw/zinc/65/35/19/878653519.db2.gz FRZFLETXKAPDQG-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1C[NH+]1CCC[C@]2(CCOC2)C1 ZINC000451896031 878653527 /nfs/dbraw/zinc/65/35/27/878653527.db2.gz FRZFLETXKAPDQG-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1C[NH+]1CCC[C@]2(CCOC2)C1 ZINC000451896031 878653533 /nfs/dbraw/zinc/65/35/33/878653533.db2.gz FRZFLETXKAPDQG-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP CCc1cc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000538003642 878654732 /nfs/dbraw/zinc/65/47/32/878654732.db2.gz AXIOMOKWHFDQOZ-KDURUIRLSA-N 2 1 397.563 3.892 20 0 GHADMP CCc1cc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000538003642 878654749 /nfs/dbraw/zinc/65/47/49/878654749.db2.gz AXIOMOKWHFDQOZ-KDURUIRLSA-N 2 1 397.563 3.892 20 0 GHADMP Cc1ccc2c(C)cc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)[nH+]c2c1 ZINC000460945939 878837884 /nfs/dbraw/zinc/83/78/84/878837884.db2.gz AJVASQBIFJBZJM-UHFFFAOYSA-N 2 1 394.563 3.670 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000177876863 878900854 /nfs/dbraw/zinc/90/08/54/878900854.db2.gz ZSXDZWDBHYPFHP-HXUWFJFHSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246090600 878961578 /nfs/dbraw/zinc/96/15/78/878961578.db2.gz GGAQGOHGZVOPLE-YADHBBJMSA-N 2 1 392.632 3.796 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000246130306 879029281 /nfs/dbraw/zinc/02/92/81/879029281.db2.gz MJBGBLLXIKTYSI-FGZHOGPDSA-N 2 1 392.632 3.652 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000178210579 879043952 /nfs/dbraw/zinc/04/39/52/879043952.db2.gz RZOISUJIEUCUPZ-QUCCMNQESA-N 2 1 385.552 3.673 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000178210579 879043969 /nfs/dbraw/zinc/04/39/69/879043969.db2.gz RZOISUJIEUCUPZ-QUCCMNQESA-N 2 1 385.552 3.673 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000455916847 879548467 /nfs/dbraw/zinc/54/84/67/879548467.db2.gz KPLMHKWPMXOVIT-GAJHUEQPSA-N 2 1 392.547 3.804 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000531323248 879613238 /nfs/dbraw/zinc/61/32/38/879613238.db2.gz LQABYPNEFIUDKG-FQEVSTJZSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000531323248 879613244 /nfs/dbraw/zinc/61/32/44/879613244.db2.gz LQABYPNEFIUDKG-FQEVSTJZSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000531323248 879613255 /nfs/dbraw/zinc/61/32/55/879613255.db2.gz LQABYPNEFIUDKG-FQEVSTJZSA-N 2 1 388.600 3.659 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000531381773 879746094 /nfs/dbraw/zinc/74/60/94/879746094.db2.gz HTYQSQHBJZOVNT-ILBGXUMGSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000531381773 879746105 /nfs/dbraw/zinc/74/61/05/879746105.db2.gz HTYQSQHBJZOVNT-ILBGXUMGSA-N 2 1 396.575 3.878 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000729595198 879759232 /nfs/dbraw/zinc/75/92/32/879759232.db2.gz ZBYJEEGMHVZHMV-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379250 912494422 /nfs/dbraw/zinc/49/44/22/912494422.db2.gz KYNAEPJRXNZPJZ-AZUAARDMSA-N 2 1 387.568 3.720 20 0 GHADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379250 912494432 /nfs/dbraw/zinc/49/44/32/912494432.db2.gz KYNAEPJRXNZPJZ-AZUAARDMSA-N 2 1 387.568 3.720 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246789058 879804557 /nfs/dbraw/zinc/80/45/57/879804557.db2.gz MEUOYVAWIXBBQF-FNHZYXHNSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246789058 879804562 /nfs/dbraw/zinc/80/45/62/879804562.db2.gz MEUOYVAWIXBBQF-FNHZYXHNSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246789058 879804574 /nfs/dbraw/zinc/80/45/74/879804574.db2.gz MEUOYVAWIXBBQF-FNHZYXHNSA-N 2 1 399.362 3.682 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000246839648 879822309 /nfs/dbraw/zinc/82/23/09/879822309.db2.gz CBZWUMDDFHODQD-CPLUKWAASA-N 2 1 397.966 3.561 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000246839648 879822322 /nfs/dbraw/zinc/82/23/22/879822322.db2.gz CBZWUMDDFHODQD-CPLUKWAASA-N 2 1 397.966 3.561 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000247075208 879909535 /nfs/dbraw/zinc/90/95/35/879909535.db2.gz QJXHJFIMWLKHMV-IBGZPJMESA-N 2 1 384.593 3.805 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119447 912578296 /nfs/dbraw/zinc/57/82/96/912578296.db2.gz NZZMMDOURXYXLF-ZWOKBUDYSA-N 2 1 379.504 3.579 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119447 912578299 /nfs/dbraw/zinc/57/82/99/912578299.db2.gz NZZMMDOURXYXLF-ZWOKBUDYSA-N 2 1 379.504 3.579 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453153024 880534416 /nfs/dbraw/zinc/53/44/16/880534416.db2.gz YCTWYMNUTLTXQJ-YPAWHYETSA-N 2 1 395.547 3.741 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453155506 880549525 /nfs/dbraw/zinc/54/95/25/880549525.db2.gz URNOECIEXBAMMB-VLCRHTCISA-N 2 1 382.552 3.524 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453155506 880549531 /nfs/dbraw/zinc/54/95/31/880549531.db2.gz URNOECIEXBAMMB-VLCRHTCISA-N 2 1 382.552 3.524 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000531944534 880763875 /nfs/dbraw/zinc/76/38/75/880763875.db2.gz WMKWMWBPNWRUBR-CQSZACIVSA-N 2 1 387.446 3.766 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1c(F)ccc(I)c1F)C1CC1 ZINC000453598042 881070446 /nfs/dbraw/zinc/07/04/46/881070446.db2.gz PCDXGQFZESXUHY-UHFFFAOYSA-N 2 1 394.247 3.533 20 0 GHADMP CCOc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccc1OC(=O)CC ZINC001183532194 912641227 /nfs/dbraw/zinc/64/12/27/912641227.db2.gz CCZCCPPMLHMCAS-QGZVFWFLSA-N 2 1 383.492 3.506 20 0 GHADMP CCOc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)ccc1OC(=O)CC ZINC001183532194 912641233 /nfs/dbraw/zinc/64/12/33/912641233.db2.gz CCZCCPPMLHMCAS-QGZVFWFLSA-N 2 1 383.492 3.506 20 0 GHADMP C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494235683 881316697 /nfs/dbraw/zinc/31/66/97/881316697.db2.gz YHWGGJNDFHRLRW-LTGZKZEYSA-N 2 1 391.559 3.934 20 0 GHADMP C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494235683 881316719 /nfs/dbraw/zinc/31/67/19/881316719.db2.gz YHWGGJNDFHRLRW-LTGZKZEYSA-N 2 1 391.559 3.934 20 0 GHADMP [NH3+]Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000262987936 881318095 /nfs/dbraw/zinc/31/80/95/881318095.db2.gz NZKWJYOYEUJUNN-SFHVURJKSA-N 2 1 377.410 3.767 20 0 GHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000537692446 883162031 /nfs/dbraw/zinc/16/20/31/883162031.db2.gz LEARYDDMOUXSKQ-UNWVZKJWSA-N 2 1 381.520 3.866 20 0 GHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000537692446 883162044 /nfs/dbraw/zinc/16/20/44/883162044.db2.gz LEARYDDMOUXSKQ-UNWVZKJWSA-N 2 1 381.520 3.866 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000123191562 883168786 /nfs/dbraw/zinc/16/87/86/883168786.db2.gz WRFXKEQIXNNMCC-GOSISDBHSA-N 2 1 395.551 3.759 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(C)[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000551049832 883171423 /nfs/dbraw/zinc/17/14/23/883171423.db2.gz BSMLONYMXXMQJA-DHIUTWEWSA-N 2 1 396.579 3.929 20 0 GHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000286299490 912677103 /nfs/dbraw/zinc/67/71/03/912677103.db2.gz WPQAYLYXNBZNLK-QHCPKHFHSA-N 2 1 395.547 3.609 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000551051978 883219705 /nfs/dbraw/zinc/21/97/05/883219705.db2.gz WMKHMSVCDDCOBH-WQDFSMHNSA-N 2 1 393.575 3.701 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000551051978 883219714 /nfs/dbraw/zinc/21/97/14/883219714.db2.gz WMKHMSVCDDCOBH-WQDFSMHNSA-N 2 1 393.575 3.701 20 0 GHADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000564331667 883256237 /nfs/dbraw/zinc/25/62/37/883256237.db2.gz HSEBNNWDBVINMH-INIZCTEOSA-N 2 1 396.510 3.917 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476990375 883523382 /nfs/dbraw/zinc/52/33/82/883523382.db2.gz WVOFKLGMIHKYAT-LJQANCHMSA-N 2 1 387.568 3.919 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476990375 883523389 /nfs/dbraw/zinc/52/33/89/883523389.db2.gz WVOFKLGMIHKYAT-LJQANCHMSA-N 2 1 387.568 3.919 20 0 GHADMP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476984783 883540734 /nfs/dbraw/zinc/54/07/34/883540734.db2.gz MVKPCMSZNWAPNE-MOPGFXCFSA-N 2 1 391.625 3.772 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000078954325 883618577 /nfs/dbraw/zinc/61/85/77/883618577.db2.gz XJAYNLPKVRPZDU-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[C@H](C)C1 ZINC000186463699 883647877 /nfs/dbraw/zinc/64/78/77/883647877.db2.gz LMBMXBIQZNAZKX-DNVCBOLYSA-N 2 1 397.485 3.630 20 0 GHADMP Clc1ccccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911315 883671990 /nfs/dbraw/zinc/67/19/90/883671990.db2.gz QQHZBBFJHSLCML-KRWDZBQOSA-N 2 1 380.879 3.579 20 0 GHADMP Clc1ccccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911315 883671994 /nfs/dbraw/zinc/67/19/94/883671994.db2.gz QQHZBBFJHSLCML-KRWDZBQOSA-N 2 1 380.879 3.579 20 0 GHADMP C[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000465436404 883833395 /nfs/dbraw/zinc/83/33/95/883833395.db2.gz DQEVWESRTTYCQG-SFHVURJKSA-N 2 1 386.584 3.602 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000194674164 883889109 /nfs/dbraw/zinc/88/91/09/883889109.db2.gz PCPIPXJXQRJTBB-NRFANRHFSA-N 2 1 383.561 3.785 20 0 GHADMP CC[C@H]1CCCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476291117 884383937 /nfs/dbraw/zinc/38/39/37/884383937.db2.gz VOMOXZBOSLVWER-RBBKRZOGSA-N 2 1 377.617 3.858 20 0 GHADMP O[C@]1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000495039622 884418733 /nfs/dbraw/zinc/41/87/33/884418733.db2.gz CRWCWMUWFGEPMM-ZTCOLXNVSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000495039622 884418740 /nfs/dbraw/zinc/41/87/40/884418740.db2.gz CRWCWMUWFGEPMM-ZTCOLXNVSA-N 2 1 398.522 3.520 20 0 GHADMP CCn1c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)nc2ccccc21 ZINC000556404628 884768412 /nfs/dbraw/zinc/76/84/12/884768412.db2.gz VBZPCLUAVXDNMA-UHFFFAOYSA-N 2 1 378.520 3.819 20 0 GHADMP Cc1c[nH+]cn1CC(=O)OC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000860554036 884796667 /nfs/dbraw/zinc/79/66/67/884796667.db2.gz NYCBBEGUXJPXJJ-APWZRJJASA-N 2 1 395.425 3.837 20 0 GHADMP Cc1c[nH+]cn1CC(=O)OC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000860554036 884796687 /nfs/dbraw/zinc/79/66/87/884796687.db2.gz NYCBBEGUXJPXJJ-APWZRJJASA-N 2 1 395.425 3.837 20 0 GHADMP Cc1c[nH+]cn1CC(=O)OC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000860554039 884797492 /nfs/dbraw/zinc/79/74/92/884797492.db2.gz NYCBBEGUXJPXJJ-VQIMIIECSA-N 2 1 395.425 3.837 20 0 GHADMP Cc1c[nH+]cn1CC(=O)OC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000860554039 884797505 /nfs/dbraw/zinc/79/75/05/884797505.db2.gz NYCBBEGUXJPXJJ-VQIMIIECSA-N 2 1 395.425 3.837 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000648755495 884966067 /nfs/dbraw/zinc/96/60/67/884966067.db2.gz GQRWOASWSVAFHA-KRWDZBQOSA-N 2 1 386.565 3.627 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000130684838 885002103 /nfs/dbraw/zinc/00/21/03/885002103.db2.gz WSERTIPWGVVDCO-ZDUSSCGKSA-N 2 1 383.323 3.698 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000130684838 885002116 /nfs/dbraw/zinc/00/21/16/885002116.db2.gz WSERTIPWGVVDCO-ZDUSSCGKSA-N 2 1 383.323 3.698 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045191420 885106168 /nfs/dbraw/zinc/10/61/68/885106168.db2.gz BURONQHDSVRWNJ-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532446385 885480393 /nfs/dbraw/zinc/48/03/93/885480393.db2.gz SLTZQVCJJUBBFU-LJQANCHMSA-N 2 1 379.552 3.610 20 0 GHADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448674 885508412 /nfs/dbraw/zinc/50/84/12/885508412.db2.gz JADDDWQINGUGJR-RXVVDRJESA-N 2 1 387.568 3.652 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)C2)CC1 ZINC000861511254 885596197 /nfs/dbraw/zinc/59/61/97/885596197.db2.gz YVVZPIJLRCENGV-HXUWFJFHSA-N 2 1 389.971 3.639 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)C2)CC1 ZINC000861511254 885596212 /nfs/dbraw/zinc/59/62/12/885596212.db2.gz YVVZPIJLRCENGV-HXUWFJFHSA-N 2 1 389.971 3.639 20 0 GHADMP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000556608910 885665325 /nfs/dbraw/zinc/66/53/25/885665325.db2.gz LJNXWMBGMAGBKM-RDPSFJRHSA-N 2 1 394.559 3.704 20 0 GHADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000532526649 885892886 /nfs/dbraw/zinc/89/28/86/885892886.db2.gz ZKXXLCMESSQONB-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000532526649 885892898 /nfs/dbraw/zinc/89/28/98/885892898.db2.gz ZKXXLCMESSQONB-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(C)(C)[N@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC001168209031 886026400 /nfs/dbraw/zinc/02/64/00/886026400.db2.gz JIHSVYXYXNJGQB-FQEVSTJZSA-N 2 1 394.563 3.656 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC(C)(C)[N@@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC001168209031 886026406 /nfs/dbraw/zinc/02/64/06/886026406.db2.gz JIHSVYXYXNJGQB-FQEVSTJZSA-N 2 1 394.563 3.656 20 0 GHADMP CCCCc1ccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000919718966 886214539 /nfs/dbraw/zinc/21/45/39/886214539.db2.gz LQDDUVZOQSSFFN-UHFFFAOYSA-N 2 1 383.565 3.985 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c2ccccc2)cc1 ZINC000118945316 886355691 /nfs/dbraw/zinc/35/56/91/886355691.db2.gz RIGPGJVUKFMKJJ-LOSJGSFVSA-N 2 1 396.575 3.924 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000556891237 886517617 /nfs/dbraw/zinc/51/76/17/886517617.db2.gz ADFYHZLVWHIASL-GHTZIAJQSA-N 2 1 398.547 3.820 20 0 GHADMP c1c(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000556892469 886520900 /nfs/dbraw/zinc/52/09/00/886520900.db2.gz NSCBVUNWMKBHJK-KSEOMHKRSA-N 2 1 396.604 3.812 20 0 GHADMP CC(C)c1ccc2cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)[nH]c2c1 ZINC000919861491 886631222 /nfs/dbraw/zinc/63/12/22/886631222.db2.gz WWKLYAUUQARLTH-UHFFFAOYSA-N 2 1 377.492 3.690 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cnn1-c1ccccc1 ZINC000808720089 886704182 /nfs/dbraw/zinc/70/41/82/886704182.db2.gz MWBKPWRRMQDLIU-SFHVURJKSA-N 2 1 393.535 3.757 20 0 GHADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237045375 886907518 /nfs/dbraw/zinc/90/75/18/886907518.db2.gz MWTWABMPGISQLH-UNQWWWNPSA-N 2 1 385.474 3.578 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001170575096 887274196 /nfs/dbraw/zinc/27/41/96/887274196.db2.gz XILGHDCCLKPYKS-QAPCUYQASA-N 2 1 384.442 3.601 20 0 GHADMP CCOc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc(Br)c1O ZINC000459327483 887374302 /nfs/dbraw/zinc/37/43/02/887374302.db2.gz OBSUXOCWHCHAQP-UHFFFAOYSA-N 2 1 385.346 3.717 20 0 GHADMP Cc1cc(NCCNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)nc(C(C)C)n1 ZINC000863938507 887471675 /nfs/dbraw/zinc/47/16/75/887471675.db2.gz FWOXEXTYUJYBHM-FQEVSTJZSA-N 2 1 395.551 3.560 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000809573497 887550188 /nfs/dbraw/zinc/55/01/88/887550188.db2.gz NMZYUKSYKURKPA-QFIPXVFZSA-N 2 1 384.593 3.693 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000809573497 887550193 /nfs/dbraw/zinc/55/01/93/887550193.db2.gz NMZYUKSYKURKPA-QFIPXVFZSA-N 2 1 384.593 3.693 20 0 GHADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000809605511 887617323 /nfs/dbraw/zinc/61/73/23/887617323.db2.gz CZCWSUQYZUBTFK-HNNXBMFYSA-N 2 1 379.346 3.699 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000809605511 887617338 /nfs/dbraw/zinc/61/73/38/887617338.db2.gz CZCWSUQYZUBTFK-HNNXBMFYSA-N 2 1 379.346 3.699 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ncc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629351 887629720 /nfs/dbraw/zinc/62/97/20/887629720.db2.gz NFQAHCDQGGAPTJ-AEFFLSMTSA-N 2 1 387.549 3.579 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000809973162 888031463 /nfs/dbraw/zinc/03/14/63/888031463.db2.gz JPHIGEAJIDITMO-JOCHJYFZSA-N 2 1 375.532 3.501 20 0 GHADMP COCCc1ncc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000865504100 888392977 /nfs/dbraw/zinc/39/29/77/888392977.db2.gz BHQGLSLVUSLKAX-UHFFFAOYSA-N 2 1 388.581 3.722 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc21 ZINC000865525798 888410189 /nfs/dbraw/zinc/41/01/89/888410189.db2.gz GMUBQHKOJRXKDB-DUXKGJEZSA-N 2 1 377.488 3.924 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc21 ZINC000865525798 888410196 /nfs/dbraw/zinc/41/01/96/888410196.db2.gz GMUBQHKOJRXKDB-DUXKGJEZSA-N 2 1 377.488 3.924 20 0 GHADMP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000638072647 888464499 /nfs/dbraw/zinc/46/44/99/888464499.db2.gz UKVBAZSIBZLMOE-OAQYLSRUSA-N 2 1 392.503 3.572 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532764872 888909160 /nfs/dbraw/zinc/90/91/60/888909160.db2.gz ZDMWNFBVYDBKQN-AABGKKOBSA-N 2 1 397.563 3.838 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867423 888970346 /nfs/dbraw/zinc/97/03/46/888970346.db2.gz VDYSMYFOBQXCLA-QFIPXVFZSA-N 2 1 381.580 3.560 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867423 888970357 /nfs/dbraw/zinc/97/03/57/888970357.db2.gz VDYSMYFOBQXCLA-QFIPXVFZSA-N 2 1 381.580 3.560 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867423 888970368 /nfs/dbraw/zinc/97/03/68/888970368.db2.gz VDYSMYFOBQXCLA-QFIPXVFZSA-N 2 1 381.580 3.560 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000287385511 913304933 /nfs/dbraw/zinc/30/49/33/913304933.db2.gz ILUUMLWLJOSICI-UEQSERJNSA-N 2 1 383.580 3.525 20 0 GHADMP CSc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc(N2CCCC2)[nH+]1 ZINC001170628869 889334731 /nfs/dbraw/zinc/33/47/31/889334731.db2.gz CZNVCYCYBJANIL-UHFFFAOYSA-N 2 1 387.597 3.533 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000868177395 889336340 /nfs/dbraw/zinc/33/63/40/889336340.db2.gz NVKXRIAJUBFOAN-ZDXQCDESSA-N 2 1 390.531 3.631 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000532966999 889402381 /nfs/dbraw/zinc/40/23/81/889402381.db2.gz FRCRVKQPVYRSKS-WMZHIEFXSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCc3cccc4ccccc43)CC2)CC1 ZINC000124770851 889755377 /nfs/dbraw/zinc/75/53/77/889755377.db2.gz YAOZQIINBGNYRV-UHFFFAOYSA-N 2 1 393.575 3.649 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125355997 889965021 /nfs/dbraw/zinc/96/50/21/889965021.db2.gz HLKZMNKNFQKMDW-GUXCAODWSA-N 2 1 383.502 3.988 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533270605 890136802 /nfs/dbraw/zinc/13/68/02/890136802.db2.gz JYSPIWGLGNCAFZ-UHFFFAOYSA-N 2 1 386.584 3.586 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533270605 890136810 /nfs/dbraw/zinc/13/68/10/890136810.db2.gz JYSPIWGLGNCAFZ-UHFFFAOYSA-N 2 1 386.584 3.586 20 0 GHADMP C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533430293 890544288 /nfs/dbraw/zinc/54/42/88/890544288.db2.gz CJSXJPBQCHODTR-ZWKOTPCHSA-N 2 1 375.582 3.684 20 0 GHADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CCC2 ZINC000126702807 890657019 /nfs/dbraw/zinc/65/70/19/890657019.db2.gz JGGFEMFKDFIXCY-IBGZPJMESA-N 2 1 384.593 3.620 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695386 891185077 /nfs/dbraw/zinc/18/50/77/891185077.db2.gz AOBIDAOYQCCJSD-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695386 891185083 /nfs/dbraw/zinc/18/50/83/891185083.db2.gz AOBIDAOYQCCJSD-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695386 891185085 /nfs/dbraw/zinc/18/50/85/891185085.db2.gz AOBIDAOYQCCJSD-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000127940781 891326566 /nfs/dbraw/zinc/32/65/66/891326566.db2.gz BBSMFYOQCISOKP-UGKGYDQZSA-N 2 1 395.547 3.504 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170698511 891343960 /nfs/dbraw/zinc/34/39/60/891343960.db2.gz PRHLCPHWQUCYGQ-ROUUACIJSA-N 2 1 378.507 3.834 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000128267583 891540017 /nfs/dbraw/zinc/54/00/17/891540017.db2.gz LGZMVZSJGMYUOX-OAHLLOKOSA-N 2 1 385.474 3.689 20 0 GHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1OCc1ccccc1 ZINC000128293652 891594992 /nfs/dbraw/zinc/59/49/92/891594992.db2.gz CDBGQVCKUNBUTQ-NRFANRHFSA-N 2 1 381.564 3.944 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497507272 891758241 /nfs/dbraw/zinc/75/82/41/891758241.db2.gz VBLFWFHIMKPQEF-NLWGTHIKSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497507272 891758253 /nfs/dbraw/zinc/75/82/53/891758253.db2.gz VBLFWFHIMKPQEF-NLWGTHIKSA-N 2 1 381.923 3.509 20 0 GHADMP C[NH+](C)CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC000128465323 891968266 /nfs/dbraw/zinc/96/82/66/891968266.db2.gz CUZQAMUBJYXUNT-BRTIRZTQSA-N 2 1 398.595 3.698 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH2+][C@H](C)c1ccccc1 ZINC000497685503 892192526 /nfs/dbraw/zinc/19/25/26/892192526.db2.gz FNPOEYPNPUAKDZ-HLAWJBBLSA-N 2 1 386.584 3.632 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC[N@@H+](Cc4cccnc4)C3)CC1)C2 ZINC001168275117 892433463 /nfs/dbraw/zinc/43/34/63/892433463.db2.gz WVPMNCBEWUXSSI-JOCHJYFZSA-N 2 1 377.532 3.546 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695745 892658311 /nfs/dbraw/zinc/65/83/11/892658311.db2.gz IQOAQPHOTNECQO-HJNYFJLDSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000080075627 892680516 /nfs/dbraw/zinc/68/05/16/892680516.db2.gz NWYLWFBMTZKPJD-MWXLCCTBSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700917 892693322 /nfs/dbraw/zinc/69/33/22/892693322.db2.gz VJSDFDUOFZVVDN-DENIHFKCSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713656 892832077 /nfs/dbraw/zinc/83/20/77/892832077.db2.gz UCRJACPCVQYKLA-SQXWHWBNSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713656 892832095 /nfs/dbraw/zinc/83/20/95/892832095.db2.gz UCRJACPCVQYKLA-SQXWHWBNSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713656 892832117 /nfs/dbraw/zinc/83/21/17/892832117.db2.gz UCRJACPCVQYKLA-SQXWHWBNSA-N 2 1 377.532 3.681 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997270 892898966 /nfs/dbraw/zinc/89/89/66/892898966.db2.gz NQGOFHIIPBJETC-OALUTQOASA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997270 892898981 /nfs/dbraw/zinc/89/89/81/892898981.db2.gz NQGOFHIIPBJETC-OALUTQOASA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997270 892898995 /nfs/dbraw/zinc/89/89/95/892898995.db2.gz NQGOFHIIPBJETC-OALUTQOASA-N 2 1 397.485 3.660 20 0 GHADMP C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721215 892970047 /nfs/dbraw/zinc/97/00/47/892970047.db2.gz ULXSDISZBYXZNN-XUZZJYLKSA-N 2 1 388.559 3.974 20 0 GHADMP CN(C)c1ncnc(Cl)c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814640110 893031230 /nfs/dbraw/zinc/03/12/30/893031230.db2.gz SLUOAFXQMWDIFN-UHFFFAOYSA-N 2 1 399.970 3.684 20 0 GHADMP CN(C)c1ncnc(Cl)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814640110 893031249 /nfs/dbraw/zinc/03/12/49/893031249.db2.gz SLUOAFXQMWDIFN-UHFFFAOYSA-N 2 1 399.970 3.684 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674161 893050095 /nfs/dbraw/zinc/05/00/95/893050095.db2.gz NTLBGKYOHPWGBT-UXHICEINSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674161 893050114 /nfs/dbraw/zinc/05/01/14/893050114.db2.gz NTLBGKYOHPWGBT-UXHICEINSA-N 2 1 390.572 3.941 20 0 GHADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000498073138 893114226 /nfs/dbraw/zinc/11/42/26/893114226.db2.gz HETQGFFXZLXEEW-WDYCEAGBSA-N 2 1 385.474 3.722 20 0 GHADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000162758573 893145844 /nfs/dbraw/zinc/14/58/44/893145844.db2.gz DCMPAQRPXQQMDG-VQIMIIECSA-N 2 1 380.458 3.920 20 0 GHADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000162758573 893145850 /nfs/dbraw/zinc/14/58/50/893145850.db2.gz DCMPAQRPXQQMDG-VQIMIIECSA-N 2 1 380.458 3.920 20 0 GHADMP COc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1F ZINC000645197621 913748548 /nfs/dbraw/zinc/74/85/48/913748548.db2.gz DMKVOLFJZMXULI-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP COc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1F ZINC000645197621 913748560 /nfs/dbraw/zinc/74/85/60/913748560.db2.gz DMKVOLFJZMXULI-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP c1csc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000563120991 893376267 /nfs/dbraw/zinc/37/62/67/893376267.db2.gz UXXNDSHOUOOHPH-FQEVSTJZSA-N 2 1 382.577 3.899 20 0 GHADMP c1csc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000563120991 893376284 /nfs/dbraw/zinc/37/62/84/893376284.db2.gz UXXNDSHOUOOHPH-FQEVSTJZSA-N 2 1 382.577 3.899 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459406476 893444125 /nfs/dbraw/zinc/44/41/25/893444125.db2.gz UYXIRMULPRGTKA-UHFFFAOYSA-N 2 1 397.567 3.651 20 0 GHADMP CC1(c2ccccc2)CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000459436080 893494242 /nfs/dbraw/zinc/49/42/42/893494242.db2.gz WSPRTGPFASPZIE-HMBUKTRKSA-N 2 1 391.559 3.594 20 0 GHADMP C[C@@H](c1cccnc1)[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000536677007 893519806 /nfs/dbraw/zinc/51/98/06/893519806.db2.gz WALSHYCOKUZWMP-NRFANRHFSA-N 2 1 380.580 3.918 20 0 GHADMP C[C@@H](c1cccnc1)[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000536677007 893519824 /nfs/dbraw/zinc/51/98/24/893519824.db2.gz WALSHYCOKUZWMP-NRFANRHFSA-N 2 1 380.580 3.918 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459442865 893531733 /nfs/dbraw/zinc/53/17/33/893531733.db2.gz PUJLYKPQKFXZLH-WOJBJXKFSA-N 2 1 378.564 3.797 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000536696884 893564889 /nfs/dbraw/zinc/56/48/89/893564889.db2.gz FMHNTKVFLPJVIZ-LJQANCHMSA-N 2 1 381.586 3.565 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187490296 893632057 /nfs/dbraw/zinc/63/20/57/893632057.db2.gz MSLDKWVDBPNJKO-OHNRDTAOSA-N 2 1 399.348 3.864 20 0 GHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666856535 893757747 /nfs/dbraw/zinc/75/77/47/893757747.db2.gz OFDDMPPNCXRAFG-KRWDZBQOSA-N 2 1 390.325 3.655 20 0 GHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666856536 893757880 /nfs/dbraw/zinc/75/78/80/893757880.db2.gz OFDDMPPNCXRAFG-QGZVFWFLSA-N 2 1 390.325 3.655 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000536840253 893912994 /nfs/dbraw/zinc/91/29/94/893912994.db2.gz RORVYVLXBDONBY-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000536840253 893913005 /nfs/dbraw/zinc/91/30/05/893913005.db2.gz RORVYVLXBDONBY-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1OC(F)F ZINC000536847865 893927584 /nfs/dbraw/zinc/92/75/84/893927584.db2.gz UKECKBBGNAAIFA-AFAVFJNCSA-N 2 1 388.886 3.970 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224938 893987987 /nfs/dbraw/zinc/98/79/87/893987987.db2.gz WKBLCEGGVVJCKV-BBTUJRGHSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224938 893987992 /nfs/dbraw/zinc/98/79/92/893987992.db2.gz WKBLCEGGVVJCKV-BBTUJRGHSA-N 2 1 387.568 3.885 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000563636109 893998411 /nfs/dbraw/zinc/99/84/11/893998411.db2.gz KSVHBQKQEYVQGX-UGKGYDQZSA-N 2 1 399.966 3.624 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000563636109 893998422 /nfs/dbraw/zinc/99/84/22/893998422.db2.gz KSVHBQKQEYVQGX-UGKGYDQZSA-N 2 1 399.966 3.624 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C[C@@H]1c1ccccc1 ZINC000563654590 894029689 /nfs/dbraw/zinc/02/96/89/894029689.db2.gz FDYAQXYFPXFJQH-FXEFVXDJSA-N 2 1 376.544 3.653 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196631 894083584 /nfs/dbraw/zinc/08/35/84/894083584.db2.gz HHPFNJDDUZGJSZ-ZLNRFVROSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196631 894083599 /nfs/dbraw/zinc/08/35/99/894083599.db2.gz HHPFNJDDUZGJSZ-ZLNRFVROSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196631 894083617 /nfs/dbraw/zinc/08/36/17/894083617.db2.gz HHPFNJDDUZGJSZ-ZLNRFVROSA-N 2 1 384.564 3.701 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000459794917 894207295 /nfs/dbraw/zinc/20/72/95/894207295.db2.gz UZBCESUKUCBYOM-KRWDZBQOSA-N 2 1 394.401 3.735 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)cn2)C[C@@H](C)O1 ZINC000563818286 894220992 /nfs/dbraw/zinc/22/09/92/894220992.db2.gz KSNBFJXFUJKYEC-DAVBRLECSA-N 2 1 394.563 3.620 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cn2)C[C@@H](C)O1 ZINC000563818286 894220999 /nfs/dbraw/zinc/22/09/99/894220999.db2.gz KSNBFJXFUJKYEC-DAVBRLECSA-N 2 1 394.563 3.620 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001135296573 894334334 /nfs/dbraw/zinc/33/43/34/894334334.db2.gz YAMYFUBBRKOREO-RBUKOAKNSA-N 2 1 377.598 3.758 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000564060225 894534589 /nfs/dbraw/zinc/53/45/89/894534589.db2.gz KPMWCTNLPBXZQG-VJBWXMMDSA-N 2 1 386.580 3.708 20 0 GHADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001137137410 894613197 /nfs/dbraw/zinc/61/31/97/894613197.db2.gz DAYKMRQLPYIIKS-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1c1ccccc1 ZINC000645454300 913907497 /nfs/dbraw/zinc/90/74/97/913907497.db2.gz YUJHNLPTCSFCML-SDHOMARFSA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1c1ccccc1 ZINC000645454300 913907508 /nfs/dbraw/zinc/90/75/08/913907508.db2.gz YUJHNLPTCSFCML-SDHOMARFSA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1c1ccccc1 ZINC000645454300 913907519 /nfs/dbraw/zinc/90/75/19/913907519.db2.gz YUJHNLPTCSFCML-SDHOMARFSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816546261 894914791 /nfs/dbraw/zinc/91/47/91/894914791.db2.gz DLSYCPRVQVTDPK-XLIONFOSSA-N 2 1 379.589 3.876 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000325473802 895027578 /nfs/dbraw/zinc/02/75/78/895027578.db2.gz GKVOUBRBZRJAGX-HZPDHXFCSA-N 2 1 397.357 3.963 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000325473802 895027593 /nfs/dbraw/zinc/02/75/93/895027593.db2.gz GKVOUBRBZRJAGX-HZPDHXFCSA-N 2 1 397.357 3.963 20 0 GHADMP C[N@H+]1C[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC001135730010 895176183 /nfs/dbraw/zinc/17/61/83/895176183.db2.gz ZOKAHIVWFSNCMX-RPWUZVMVSA-N 2 1 391.559 3.634 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049900 895369701 /nfs/dbraw/zinc/36/97/01/895369701.db2.gz UGDJKKRSIGHQKQ-PZJWPPBQSA-N 2 1 399.604 3.558 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[NH+](CC)CC)cc1 ZINC000565094956 895387285 /nfs/dbraw/zinc/38/72/85/895387285.db2.gz WNYUWKUKYNILHR-IRLDBZIGSA-N 2 1 382.552 3.516 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC001135851499 895412516 /nfs/dbraw/zinc/41/25/16/895412516.db2.gz KGIHBHJDGOZDHC-PKTZIBPZSA-N 2 1 385.596 3.853 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C\CCc1ccccc1 ZINC001137148328 895422745 /nfs/dbraw/zinc/42/27/45/895422745.db2.gz BIEMXOCFSSVBGL-XFFZJAGNSA-N 2 1 397.607 3.830 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(Cl)nc4ccccc34)CC2)CC1 ZINC000817286111 895437491 /nfs/dbraw/zinc/43/74/91/895437491.db2.gz RBWDZTWQMJJREV-UHFFFAOYSA-N 2 1 386.971 3.880 20 0 GHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000565304118 895520478 /nfs/dbraw/zinc/52/04/78/895520478.db2.gz BSKKZIPGSBSDHW-GOSISDBHSA-N 2 1 399.501 3.810 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000565545895 895713525 /nfs/dbraw/zinc/71/35/25/895713525.db2.gz KQHIEGBOYHNMDM-UHFFFAOYSA-N 2 1 378.516 3.961 20 0 GHADMP Cc1csc(C[NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)c1 ZINC001137155669 895733227 /nfs/dbraw/zinc/73/32/27/895733227.db2.gz DVOBGDIBQNWLNL-UHFFFAOYSA-N 2 1 397.588 3.807 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@H]21 ZINC000565833396 895917727 /nfs/dbraw/zinc/91/77/27/895917727.db2.gz BCNWCEODCCYAPN-QXAKKESOSA-N 2 1 378.442 3.509 20 0 GHADMP CC[N@H+](C)[C@@H](c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1)c1ccccc1 ZINC000565858428 895935328 /nfs/dbraw/zinc/93/53/28/895935328.db2.gz NZUYHXMWUAMFAD-HXUWFJFHSA-N 2 1 380.492 3.718 20 0 GHADMP CC[N@@H+](C)[C@@H](c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1)c1ccccc1 ZINC000565858428 895935339 /nfs/dbraw/zinc/93/53/39/895935339.db2.gz NZUYHXMWUAMFAD-HXUWFJFHSA-N 2 1 380.492 3.718 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000818186850 896068774 /nfs/dbraw/zinc/06/87/74/896068774.db2.gz ORYDTMGOVQEOSI-IBGZPJMESA-N 2 1 386.511 3.771 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000818186850 896068785 /nfs/dbraw/zinc/06/87/85/896068785.db2.gz ORYDTMGOVQEOSI-IBGZPJMESA-N 2 1 386.511 3.771 20 0 GHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000566089348 896100309 /nfs/dbraw/zinc/10/03/09/896100309.db2.gz AVNABZNJQUFMHJ-MLGOLLRUSA-N 2 1 386.849 3.714 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000566225975 896188750 /nfs/dbraw/zinc/18/87/50/896188750.db2.gz HOASESPPGLXRDR-XLIONFOSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000566225975 896188756 /nfs/dbraw/zinc/18/87/56/896188756.db2.gz HOASESPPGLXRDR-XLIONFOSSA-N 2 1 384.520 3.842 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170910576 896206758 /nfs/dbraw/zinc/20/67/58/896206758.db2.gz KVHBLLYGPJRILM-VIZSFHNOSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170910576 896206772 /nfs/dbraw/zinc/20/67/72/896206772.db2.gz KVHBLLYGPJRILM-VIZSFHNOSA-N 2 1 384.951 3.670 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818959654 896296784 /nfs/dbraw/zinc/29/67/84/896296784.db2.gz PVSZBROWRAWQNA-KDOFPFPSSA-N 2 1 387.337 3.723 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000566470199 896329958 /nfs/dbraw/zinc/32/99/58/896329958.db2.gz OZFPLEVGSJRNTO-UPVQGACJSA-N 2 1 397.607 3.883 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000129202911 896503219 /nfs/dbraw/zinc/50/32/19/896503219.db2.gz CAGJEIZSZNWCMI-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000129202911 896503226 /nfs/dbraw/zinc/50/32/26/896503226.db2.gz CAGJEIZSZNWCMI-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000129202911 896503230 /nfs/dbraw/zinc/50/32/30/896503230.db2.gz CAGJEIZSZNWCMI-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000129202911 896503237 /nfs/dbraw/zinc/50/32/37/896503237.db2.gz CAGJEIZSZNWCMI-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282842 896527073 /nfs/dbraw/zinc/52/70/73/896527073.db2.gz CDLPLJCUJVPBIA-ISKFKSNPSA-N 2 1 382.548 3.545 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819275157 896560374 /nfs/dbraw/zinc/56/03/74/896560374.db2.gz RJRWRRPYYKWFGM-XLIONFOSSA-N 2 1 378.438 3.851 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274875 896560451 /nfs/dbraw/zinc/56/04/51/896560451.db2.gz NHKVMTRYLVEHQT-YLJYHZDGSA-N 2 1 389.337 3.594 20 0 GHADMP Clc1cccc2c1C[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)CC2 ZINC001170936215 896967602 /nfs/dbraw/zinc/96/76/02/896967602.db2.gz NEXPXCSXNCJGFL-LJQANCHMSA-N 2 1 398.982 3.938 20 0 GHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567674704 897329513 /nfs/dbraw/zinc/32/95/13/897329513.db2.gz YMQJJJKBPFTDJL-CQSZACIVSA-N 2 1 396.564 3.863 20 0 GHADMP Fc1ccc([C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCOCC2)cc1 ZINC000883185697 897349025 /nfs/dbraw/zinc/34/90/25/897349025.db2.gz BYUDWVUSYSRKTQ-NRFANRHFSA-N 2 1 376.516 3.528 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC23CC3)cc1 ZINC000883254180 897407174 /nfs/dbraw/zinc/40/71/74/897407174.db2.gz MGUQVLPVWCTRIU-FGZHOGPDSA-N 2 1 384.564 3.749 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC23CC3)cc1 ZINC000883254180 897407182 /nfs/dbraw/zinc/40/71/82/897407182.db2.gz MGUQVLPVWCTRIU-FGZHOGPDSA-N 2 1 384.564 3.749 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000567854074 897450346 /nfs/dbraw/zinc/45/03/46/897450346.db2.gz YLFOHLYXQKCJCU-JOCHJYFZSA-N 2 1 387.527 3.825 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000567854074 897450351 /nfs/dbraw/zinc/45/03/51/897450351.db2.gz YLFOHLYXQKCJCU-JOCHJYFZSA-N 2 1 387.527 3.825 20 0 GHADMP COc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000820806153 897534917 /nfs/dbraw/zinc/53/49/17/897534917.db2.gz BFFPORKLPXTCOK-IFBIMPTNSA-N 2 1 380.532 3.904 20 0 GHADMP O=C(Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1)c1cccnc1 ZINC000820808406 897535928 /nfs/dbraw/zinc/53/59/28/897535928.db2.gz FDZOGSCDZMZTRJ-XDNSSPFJSA-N 2 1 376.504 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000131920767 897608492 /nfs/dbraw/zinc/60/84/92/897608492.db2.gz RBGJONQJWFWQOC-IRXDYDNUSA-N 2 1 379.570 3.559 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000131920767 897608502 /nfs/dbraw/zinc/60/85/02/897608502.db2.gz RBGJONQJWFWQOC-IRXDYDNUSA-N 2 1 379.570 3.559 20 0 GHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H](C)Cc1ccsc1 ZINC000568208844 897674667 /nfs/dbraw/zinc/67/46/67/897674667.db2.gz GWBDLOOILYLWHO-GOSISDBHSA-N 2 1 391.625 3.724 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826331336 897723932 /nfs/dbraw/zinc/72/39/32/897723932.db2.gz DEZUWDNUXPDNRI-MRXNPFEDSA-N 2 1 387.491 3.780 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(-n3ccnc3)c2)C1 ZINC000568433647 897830928 /nfs/dbraw/zinc/83/09/28/897830928.db2.gz UNPWWVPGEKFZIC-CTNGQTDRSA-N 2 1 395.551 3.668 20 0 GHADMP O=C(NC1CCCCC1)N1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000568856428 898168285 /nfs/dbraw/zinc/16/82/85/898168285.db2.gz AHAVHGZUUYIJLW-FCHUYYIVSA-N 2 1 384.568 3.576 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC001136541685 898215041 /nfs/dbraw/zinc/21/50/41/898215041.db2.gz KGBUHHOVDZWGJW-XXBNENTESA-N 2 1 381.564 3.818 20 0 GHADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000568948304 898230712 /nfs/dbraw/zinc/23/07/12/898230712.db2.gz OSKJFSBHJSOWRF-UHFFFAOYSA-N 2 1 385.939 3.965 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOC(c1ccccc1)c1ccccc1)CCO2 ZINC000646102921 914256729 /nfs/dbraw/zinc/25/67/29/914256729.db2.gz XVMFEYUQDQBTCU-UHFFFAOYSA-N 2 1 380.532 3.589 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)C1 ZINC001136635575 898663732 /nfs/dbraw/zinc/66/37/32/898663732.db2.gz SKDZJHZUHOKQDP-FPOVZHCZSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC001136635575 898663740 /nfs/dbraw/zinc/66/37/40/898663740.db2.gz SKDZJHZUHOKQDP-FPOVZHCZSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC001136635575 898663744 /nfs/dbraw/zinc/66/37/44/898663744.db2.gz SKDZJHZUHOKQDP-FPOVZHCZSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC001136635575 898663752 /nfs/dbraw/zinc/66/37/52/898663752.db2.gz SKDZJHZUHOKQDP-FPOVZHCZSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC001136635575 898663757 /nfs/dbraw/zinc/66/37/57/898663757.db2.gz SKDZJHZUHOKQDP-FPOVZHCZSA-N 2 1 391.987 3.933 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448034 899030668 /nfs/dbraw/zinc/03/06/68/899030668.db2.gz RQHLEGSRKIPRMA-HFMPRLQTSA-N 2 1 399.579 3.697 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448034 899030681 /nfs/dbraw/zinc/03/06/81/899030681.db2.gz RQHLEGSRKIPRMA-HFMPRLQTSA-N 2 1 399.579 3.697 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448034 899030698 /nfs/dbraw/zinc/03/06/98/899030698.db2.gz RQHLEGSRKIPRMA-HFMPRLQTSA-N 2 1 399.579 3.697 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc2)cc1 ZINC000570037762 899084285 /nfs/dbraw/zinc/08/42/85/899084285.db2.gz XOKZHBCSOJCDIQ-WSOYEBOPSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc2)cc1 ZINC000570037762 899084301 /nfs/dbraw/zinc/08/43/01/899084301.db2.gz XOKZHBCSOJCDIQ-WSOYEBOPSA-N 2 1 394.559 3.678 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1OC(F)F ZINC000570077206 899107453 /nfs/dbraw/zinc/10/74/53/899107453.db2.gz YNVHLHUYELAOPO-CYBMUJFWSA-N 2 1 383.414 3.613 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)[C@H](C)c3ccccc3)CC2)cs1 ZINC000570564013 899394172 /nfs/dbraw/zinc/39/41/72/899394172.db2.gz FHDXYXWMIPXXMZ-DYESRHJHSA-N 2 1 387.593 3.672 20 0 GHADMP C[C@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC[NH2+]CC1 ZINC000570716121 899527649 /nfs/dbraw/zinc/52/76/49/899527649.db2.gz ZUWDNDMQOAVCSX-HXUWFJFHSA-N 2 1 383.580 3.527 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761642 899567586 /nfs/dbraw/zinc/56/75/86/899567586.db2.gz CCSQZHLFJAFPAD-AEFFLSMTSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761642 899567598 /nfs/dbraw/zinc/56/75/98/899567598.db2.gz CCSQZHLFJAFPAD-AEFFLSMTSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761642 899567608 /nfs/dbraw/zinc/56/76/08/899567608.db2.gz CCSQZHLFJAFPAD-AEFFLSMTSA-N 2 1 378.442 3.807 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000824383935 899575740 /nfs/dbraw/zinc/57/57/40/899575740.db2.gz WNOHEVMEUMSUNC-RBUKOAKNSA-N 2 1 385.552 3.551 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC001136878417 899608971 /nfs/dbraw/zinc/60/89/71/899608971.db2.gz XNPMMULTPJQMJR-IBGZPJMESA-N 2 1 396.560 3.651 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824548667 899681464 /nfs/dbraw/zinc/68/14/64/899681464.db2.gz YWLLYPINLVTTOD-SJORKVTESA-N 2 1 376.508 3.743 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576578 899696193 /nfs/dbraw/zinc/69/61/93/899696193.db2.gz BRDLNEXQXWBALQ-FNHZYXHNSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576578 899696200 /nfs/dbraw/zinc/69/62/00/899696200.db2.gz BRDLNEXQXWBALQ-FNHZYXHNSA-N 2 1 382.537 3.662 20 0 GHADMP Cc1cccn2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)cnc12 ZINC001136962958 899875826 /nfs/dbraw/zinc/87/58/26/899875826.db2.gz FROAFJJKCPEITA-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCC[C@]4(C)CO3)no2)cc1)C(C)C ZINC000571481624 899882599 /nfs/dbraw/zinc/88/25/99/899882599.db2.gz JDLUKAWMFPZHFV-DENIHFKCSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1)C(C)C ZINC000571481624 899882605 /nfs/dbraw/zinc/88/26/05/899882605.db2.gz JDLUKAWMFPZHFV-DENIHFKCSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1)C(C)C ZINC000571481624 899882613 /nfs/dbraw/zinc/88/26/13/899882613.db2.gz JDLUKAWMFPZHFV-DENIHFKCSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](CC)CCN1CC[NH+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171074894 900018337 /nfs/dbraw/zinc/01/83/37/900018337.db2.gz VNOLAVWRWLGVPR-SFHVURJKSA-N 2 1 384.395 3.810 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000134653121 900101338 /nfs/dbraw/zinc/10/13/38/900101338.db2.gz BPAUFTNGKVLOQD-HNNXBMFYSA-N 2 1 378.561 3.653 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328601 900700872 /nfs/dbraw/zinc/70/08/72/900700872.db2.gz KZLZMMNGJUGOAB-YWZLYKJASA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328601 900700887 /nfs/dbraw/zinc/70/08/87/900700887.db2.gz KZLZMMNGJUGOAB-YWZLYKJASA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328601 900700896 /nfs/dbraw/zinc/70/08/96/900700896.db2.gz KZLZMMNGJUGOAB-YWZLYKJASA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328601 900700906 /nfs/dbraw/zinc/70/09/06/900700906.db2.gz KZLZMMNGJUGOAB-YWZLYKJASA-N 2 1 380.504 3.822 20 0 GHADMP C[C@H](CO)[NH+](Cc1ccccc1C[N@H+]([C@H](C)CO)C1CCCC1)C1CCCC1 ZINC000574348143 900855468 /nfs/dbraw/zinc/85/54/68/900855468.db2.gz RQYCTWJFEYBFRJ-WOJBJXKFSA-N 2 1 388.596 3.937 20 0 GHADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462525 900895515 /nfs/dbraw/zinc/89/55/15/900895515.db2.gz YCZOPYYVDDPTMN-ZCNNSNEGSA-N 2 1 397.604 3.645 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462525 900895524 /nfs/dbraw/zinc/89/55/24/900895524.db2.gz YCZOPYYVDDPTMN-ZCNNSNEGSA-N 2 1 397.604 3.645 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000574780296 901009407 /nfs/dbraw/zinc/00/94/07/901009407.db2.gz NJJUJUJYGFPKIQ-TXTKFYIRSA-N 2 1 398.595 3.687 20 0 GHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886516315 901112362 /nfs/dbraw/zinc/11/23/62/901112362.db2.gz CDERLWXBXXSFGF-OYDLWJJNSA-N 2 1 389.543 3.722 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc2c(c1)CC(=O)N2C ZINC000886523163 901118616 /nfs/dbraw/zinc/11/86/16/901118616.db2.gz XXWXIWGTQIMTGC-ZNUVSDCZSA-N 2 1 389.543 3.909 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886592030 901181897 /nfs/dbraw/zinc/18/18/97/901181897.db2.gz IRZJNVBYESKWIV-QCVQKGSRSA-N 2 1 391.559 3.855 20 0 GHADMP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000575399266 901223663 /nfs/dbraw/zinc/22/36/63/901223663.db2.gz YSCVSLWWLQDIRD-DAESXHAQSA-N 2 1 395.950 3.614 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886709506 901239290 /nfs/dbraw/zinc/23/92/90/901239290.db2.gz SCZISFVMPMWPEI-MZYLBHOOSA-N 2 1 386.580 3.853 20 0 GHADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047174542 901506220 /nfs/dbraw/zinc/50/62/20/901506220.db2.gz ZGUIGZZIWGXXPT-UHFFFAOYSA-N 2 1 375.476 3.814 20 0 GHADMP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197075 901794312 /nfs/dbraw/zinc/79/43/12/901794312.db2.gz UGXOSUJWYUFZMJ-GMAHTHKFSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197075 901794327 /nfs/dbraw/zinc/79/43/27/901794327.db2.gz UGXOSUJWYUFZMJ-GMAHTHKFSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197075 901794356 /nfs/dbraw/zinc/79/43/56/901794356.db2.gz UGXOSUJWYUFZMJ-GMAHTHKFSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197075 901794370 /nfs/dbraw/zinc/79/43/70/901794370.db2.gz UGXOSUJWYUFZMJ-GMAHTHKFSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000124851554 902127022 /nfs/dbraw/zinc/12/70/22/902127022.db2.gz ZJAIDQNFQXISPJ-UHFFFAOYSA-N 2 1 392.503 3.769 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000124851554 902127030 /nfs/dbraw/zinc/12/70/30/902127030.db2.gz ZJAIDQNFQXISPJ-UHFFFAOYSA-N 2 1 392.503 3.769 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[NH2+]CCCO2)c(C)c1 ZINC000576805320 902273268 /nfs/dbraw/zinc/27/32/68/902273268.db2.gz OSYOOBNIUGLCBN-JOCHJYFZSA-N 2 1 390.531 3.624 20 0 GHADMP Oc1cc(F)c(CN2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001144553433 902368492 /nfs/dbraw/zinc/36/84/92/902368492.db2.gz DALJZFWUCYQNPL-UHFFFAOYSA-N 2 1 388.458 3.537 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)c2cccs2)CC1 ZINC000577124791 902521807 /nfs/dbraw/zinc/52/18/07/902521807.db2.gz YVPAOXLRUYRVQX-OAQYLSRUSA-N 2 1 385.577 3.615 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC000779002575 902692733 /nfs/dbraw/zinc/69/27/33/902692733.db2.gz HPTWPZPPBGYFDT-NHCUHLMSSA-N 2 1 387.568 3.854 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000577624890 902967297 /nfs/dbraw/zinc/96/72/97/902967297.db2.gz XMSCLCMZEILMIX-NFBKMPQASA-N 2 1 393.575 3.821 20 0 GHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000779025478 903123005 /nfs/dbraw/zinc/12/30/05/903123005.db2.gz SDDDPEHNLMKENW-APWZRJJASA-N 2 1 383.458 3.711 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600998817 903206277 /nfs/dbraw/zinc/20/62/77/903206277.db2.gz BAJBKHSPTRNHDV-KNQAVFIVSA-N 2 1 399.966 3.624 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600998817 903206288 /nfs/dbraw/zinc/20/62/88/903206288.db2.gz BAJBKHSPTRNHDV-KNQAVFIVSA-N 2 1 399.966 3.624 20 0 GHADMP CCC[N@H+](Cc1ccc2nonc2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000846824835 903217637 /nfs/dbraw/zinc/21/76/37/903217637.db2.gz DNZWRTYWOZEBON-UHFFFAOYSA-N 2 1 380.496 3.511 20 0 GHADMP CCC[N@@H+](Cc1ccc2nonc2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000846824835 903217648 /nfs/dbraw/zinc/21/76/48/903217648.db2.gz DNZWRTYWOZEBON-UHFFFAOYSA-N 2 1 380.496 3.511 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000846967767 903358667 /nfs/dbraw/zinc/35/86/67/903358667.db2.gz FKDIZEYFXCEUNH-IBGZPJMESA-N 2 1 390.572 3.710 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)ccc3NC(C)C)CC2)CC1 ZINC000578141318 903553918 /nfs/dbraw/zinc/55/39/18/903553918.db2.gz GYBZICKUBOZOIY-UHFFFAOYSA-N 2 1 390.547 3.781 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000779063682 903751397 /nfs/dbraw/zinc/75/13/97/903751397.db2.gz ICGRCEMXQPSQNR-IPJJNNNSSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000779063682 903751407 /nfs/dbraw/zinc/75/14/07/903751407.db2.gz ICGRCEMXQPSQNR-IPJJNNNSSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000779063678 903751447 /nfs/dbraw/zinc/75/14/47/903751447.db2.gz ICGRCEMXQPSQNR-CNNODRBYSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000779063678 903751453 /nfs/dbraw/zinc/75/14/53/903751453.db2.gz ICGRCEMXQPSQNR-CNNODRBYSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000578490910 903898557 /nfs/dbraw/zinc/89/85/57/903898557.db2.gz JTYZYJKNPJTQRT-VXKWHMMOSA-N 2 1 378.520 3.756 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000578490910 903898569 /nfs/dbraw/zinc/89/85/69/903898569.db2.gz JTYZYJKNPJTQRT-VXKWHMMOSA-N 2 1 378.520 3.756 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724471 904082513 /nfs/dbraw/zinc/08/25/13/904082513.db2.gz SNNIXEZQTGXHBL-JTHBVZDNSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724471 904082523 /nfs/dbraw/zinc/08/25/23/904082523.db2.gz SNNIXEZQTGXHBL-JTHBVZDNSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724471 904082539 /nfs/dbraw/zinc/08/25/39/904082539.db2.gz SNNIXEZQTGXHBL-JTHBVZDNSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724471 904082552 /nfs/dbraw/zinc/08/25/52/904082552.db2.gz SNNIXEZQTGXHBL-JTHBVZDNSA-N 2 1 385.596 3.939 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1Cl ZINC000578819013 904147830 /nfs/dbraw/zinc/14/78/30/904147830.db2.gz IOCZSAKKCBTDQL-GOSISDBHSA-N 2 1 386.927 3.647 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1Cl ZINC000578819013 904147843 /nfs/dbraw/zinc/14/78/43/904147843.db2.gz IOCZSAKKCBTDQL-GOSISDBHSA-N 2 1 386.927 3.647 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171370406 904370720 /nfs/dbraw/zinc/37/07/20/904370720.db2.gz JXWQCUCKZQDMMB-ROUUACIJSA-N 2 1 378.507 3.834 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnn1-c1ccccc1 ZINC000773068631 904412049 /nfs/dbraw/zinc/41/20/49/904412049.db2.gz KZHXSDHZZKYVSM-IMRHEYAYSA-N 2 1 382.552 3.599 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171408151 904527477 /nfs/dbraw/zinc/52/74/77/904527477.db2.gz KNLNLHNEZGLGCK-SFHVURJKSA-N 2 1 393.547 3.509 20 0 GHADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000579341865 904529896 /nfs/dbraw/zinc/52/98/96/904529896.db2.gz ABHLWENCJKFAOO-IPMKNSEASA-N 2 1 384.973 3.534 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CCc4c(F)cccc4C3)CC[C@@H]21 ZINC001171429440 904589324 /nfs/dbraw/zinc/58/93/24/904589324.db2.gz ICRZUQLBHBZITM-YOEKFXIASA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CCc4c(F)cccc4C3)CC[C@@H]21 ZINC001171429440 904589331 /nfs/dbraw/zinc/58/93/31/904589331.db2.gz ICRZUQLBHBZITM-YOEKFXIASA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CCc4c(F)cccc4C3)CC[C@@H]21 ZINC001171429440 904589339 /nfs/dbraw/zinc/58/93/39/904589339.db2.gz ICRZUQLBHBZITM-YOEKFXIASA-N 2 1 396.554 3.753 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCc4c(F)cccc4C2)CC3)cn1 ZINC001171431871 904599028 /nfs/dbraw/zinc/59/90/28/904599028.db2.gz SAXMNVCUCMSEMS-HXUWFJFHSA-N 2 1 382.527 3.547 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCc4c(F)cccc4C2)CC3)cn1 ZINC001171431871 904599045 /nfs/dbraw/zinc/59/90/45/904599045.db2.gz SAXMNVCUCMSEMS-HXUWFJFHSA-N 2 1 382.527 3.547 20 0 GHADMP CCOC[C@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](COCC)C3)c2)C1 ZINC000579435950 904600691 /nfs/dbraw/zinc/60/06/91/904600691.db2.gz XCDADQZRJMHACS-SFTDATJTSA-N 2 1 389.584 3.579 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCc4c(F)cccc4C3)CC2)c1 ZINC001171443018 904681833 /nfs/dbraw/zinc/68/18/33/904681833.db2.gz VBPNBHZALKMESI-NRFANRHFSA-N 2 1 396.506 3.724 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171534021 904759620 /nfs/dbraw/zinc/75/96/20/904759620.db2.gz CNUOTIUAPKNCPE-CVEARBPZSA-N 2 1 396.497 3.973 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H](C)CCc1ccc(C)cc1)CCC2 ZINC001171670585 904909370 /nfs/dbraw/zinc/90/93/70/904909370.db2.gz FUTBHGVLZKIICR-HXUWFJFHSA-N 2 1 396.579 3.621 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CC[C@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)CC1(C)C ZINC001171636124 904924344 /nfs/dbraw/zinc/92/43/44/904924344.db2.gz BMYPTYONEXYPBW-AEFFLSMTSA-N 2 1 376.614 3.691 20 0 GHADMP COc1ccc(C[NH+]2CCC(N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171726589 904952152 /nfs/dbraw/zinc/95/21/52/904952152.db2.gz YLOQBPKZYOCQHK-YKSBVNFPSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(C[NH+]2CCC(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171726589 904952162 /nfs/dbraw/zinc/95/21/62/904952162.db2.gz YLOQBPKZYOCQHK-YKSBVNFPSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001171962379 905169408 /nfs/dbraw/zinc/16/94/08/905169408.db2.gz CQDQXWKQPPJTAK-PKOBYXMFSA-N 2 1 375.557 3.932 20 0 GHADMP Cc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171991471 905204038 /nfs/dbraw/zinc/20/40/38/905204038.db2.gz XSRLRSWXCQSKHE-JOCHJYFZSA-N 2 1 393.579 3.787 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171968825 905214972 /nfs/dbraw/zinc/21/49/72/905214972.db2.gz RQIYIKWPRCFCRZ-VXKWHMMOSA-N 2 1 393.575 3.758 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974781 905221593 /nfs/dbraw/zinc/22/15/93/905221593.db2.gz AKWYJBSGPSHSLN-DNVJHFABSA-N 3 1 385.596 3.663 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CCN1Cc1ccccc1 ZINC001171974781 905221608 /nfs/dbraw/zinc/22/16/08/905221608.db2.gz AKWYJBSGPSHSLN-DNVJHFABSA-N 2 1 385.596 3.663 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc(OC)c1O ZINC001171976270 905224518 /nfs/dbraw/zinc/22/45/18/905224518.db2.gz QSUKRZLLRSNIOX-LJQANCHMSA-N 2 1 384.520 3.942 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc(OC)c1O ZINC001171976270 905224531 /nfs/dbraw/zinc/22/45/31/905224531.db2.gz QSUKRZLLRSNIOX-LJQANCHMSA-N 2 1 384.520 3.942 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981875 905236400 /nfs/dbraw/zinc/23/64/00/905236400.db2.gz OFMBKECWBVNTMB-MXEMCNAFSA-N 2 1 399.579 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981875 905236414 /nfs/dbraw/zinc/23/64/14/905236414.db2.gz OFMBKECWBVNTMB-MXEMCNAFSA-N 2 1 399.579 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981875 905236425 /nfs/dbraw/zinc/23/64/25/905236425.db2.gz OFMBKECWBVNTMB-MXEMCNAFSA-N 2 1 399.579 3.885 20 0 GHADMP CN(C)C(=O)[C@H]1CC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171983217 905237857 /nfs/dbraw/zinc/23/78/57/905237857.db2.gz YJGQMYUKSOBBMT-NHCUHLMSSA-N 2 1 383.580 3.620 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](Oc3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171983953 905240386 /nfs/dbraw/zinc/24/03/86/905240386.db2.gz BGMYPQNZQFFWHG-NHCUHLMSSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](Oc3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983953 905240394 /nfs/dbraw/zinc/24/03/94/905240394.db2.gz BGMYPQNZQFFWHG-NHCUHLMSSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](Oc3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983953 905240405 /nfs/dbraw/zinc/24/04/05/905240405.db2.gz BGMYPQNZQFFWHG-NHCUHLMSSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](Oc3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983953 905240420 /nfs/dbraw/zinc/24/04/20/905240420.db2.gz BGMYPQNZQFFWHG-NHCUHLMSSA-N 2 1 380.536 3.763 20 0 GHADMP CCN1CC[C@]2(CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001172074282 905281701 /nfs/dbraw/zinc/28/17/01/905281701.db2.gz RUWJDDQXSGRMPP-AANQFLQQSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@]2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001172074282 905281713 /nfs/dbraw/zinc/28/17/13/905281713.db2.gz RUWJDDQXSGRMPP-AANQFLQQSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001172074282 905281727 /nfs/dbraw/zinc/28/17/27/905281727.db2.gz RUWJDDQXSGRMPP-AANQFLQQSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001172074282 905281742 /nfs/dbraw/zinc/28/17/42/905281742.db2.gz RUWJDDQXSGRMPP-AANQFLQQSA-N 2 1 395.591 3.907 20 0 GHADMP [NH3+]Cc1ccc(-c2nnn([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)cc1 ZINC001172079348 905290965 /nfs/dbraw/zinc/29/09/65/905290965.db2.gz NLAFCAUBEPYSTB-KOUNCHBCSA-N 2 1 388.519 3.557 20 0 GHADMP CN1CC2(CC1=O)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172087912 905305800 /nfs/dbraw/zinc/30/58/00/905305800.db2.gz MTAJVRVBXIGIQD-ZBYYUNFXSA-N 2 1 381.564 3.516 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)c4cccs4)C3)CC1)C2 ZINC001172116196 905368328 /nfs/dbraw/zinc/36/83/28/905368328.db2.gz KGLDTTHRTVMKNJ-REPLKXPHSA-N 2 1 387.593 3.692 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1cnc(NC(=O)OC(C)(C)C)s1)C2 ZINC001172118608 905376923 /nfs/dbraw/zinc/37/69/23/905376923.db2.gz SCOQGAPSYIGDEZ-QKDCVEJESA-N 2 1 380.558 3.638 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000175216841 905481927 /nfs/dbraw/zinc/48/19/27/905481927.db2.gz VQHOTKVQBGYMTB-FQEVSTJZSA-N 2 1 379.508 3.533 20 0 GHADMP CC(C)OCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001172451141 905567681 /nfs/dbraw/zinc/56/76/81/905567681.db2.gz GQCMBKIDVSBCCT-WWPVKYPJSA-N 2 1 378.601 3.651 20 0 GHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172451141 905567686 /nfs/dbraw/zinc/56/76/86/905567686.db2.gz GQCMBKIDVSBCCT-WWPVKYPJSA-N 2 1 378.601 3.651 20 0 GHADMP CC(C)OCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172451141 905567697 /nfs/dbraw/zinc/56/76/97/905567697.db2.gz GQCMBKIDVSBCCT-WWPVKYPJSA-N 2 1 378.601 3.651 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000175456189 905569833 /nfs/dbraw/zinc/56/98/33/905569833.db2.gz TWABOXFYOVMBNR-NQIIRXRSSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000175456189 905569850 /nfs/dbraw/zinc/56/98/50/905569850.db2.gz TWABOXFYOVMBNR-NQIIRXRSSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000175456189 905569863 /nfs/dbraw/zinc/56/98/63/905569863.db2.gz TWABOXFYOVMBNR-NQIIRXRSSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000175456189 905569870 /nfs/dbraw/zinc/56/98/70/905569870.db2.gz TWABOXFYOVMBNR-NQIIRXRSSA-N 2 1 398.551 3.536 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172530526 905592446 /nfs/dbraw/zinc/59/24/46/905592446.db2.gz OTZBFSVNJVYKEL-OVUYMFTPSA-N 2 1 395.591 3.922 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172530526 905592461 /nfs/dbraw/zinc/59/24/61/905592461.db2.gz OTZBFSVNJVYKEL-OVUYMFTPSA-N 2 1 395.591 3.922 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172609694 905668876 /nfs/dbraw/zinc/66/88/76/905668876.db2.gz RHHSLQARGUYDHW-RHSMWYFYSA-N 2 1 384.442 3.687 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172645548 905709701 /nfs/dbraw/zinc/70/97/01/905709701.db2.gz NJLUEZNXGVKDNV-IYWMVGAKSA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172645548 905709710 /nfs/dbraw/zinc/70/97/10/905709710.db2.gz NJLUEZNXGVKDNV-IYWMVGAKSA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172645548 905709717 /nfs/dbraw/zinc/70/97/17/905709717.db2.gz NJLUEZNXGVKDNV-IYWMVGAKSA-N 2 1 379.589 3.828 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172712443 905795542 /nfs/dbraw/zinc/79/55/42/905795542.db2.gz LSQGYIZIFCJLAE-LJQANCHMSA-N 2 1 395.975 3.634 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172774443 905814960 /nfs/dbraw/zinc/81/49/60/905814960.db2.gz BIDHLSWZHYJJBX-TUFLPTIASA-N 2 1 388.552 3.889 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826510 905855773 /nfs/dbraw/zinc/85/57/73/905855773.db2.gz CITVDYVKAMKIDW-NFBKMPQASA-N 2 1 384.564 3.592 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826510 905855782 /nfs/dbraw/zinc/85/57/82/905855782.db2.gz CITVDYVKAMKIDW-NFBKMPQASA-N 2 1 384.564 3.592 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)CC2 ZINC001172843710 905897139 /nfs/dbraw/zinc/89/71/39/905897139.db2.gz SWRQHEVPSSOBSZ-UBFVSLLYSA-N 2 1 381.608 3.781 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@H](C)Cc2c(F)cccc2Cl)c2c1CC[NH2+]C2 ZINC001172847775 905902549 /nfs/dbraw/zinc/90/25/49/905902549.db2.gz PLIDFBHZZXPFDR-CQSZACIVSA-N 2 1 378.923 3.965 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3COC4(CCCCCC4)O3)CC2)cc1 ZINC000777313604 905974310 /nfs/dbraw/zinc/97/43/10/905974310.db2.gz JASGEZBDWQGNFZ-JOCHJYFZSA-N 2 1 390.543 3.888 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172959932 906068442 /nfs/dbraw/zinc/06/84/42/906068442.db2.gz UZHROCZTXMYVLJ-INIZCTEOSA-N 2 1 376.545 3.574 20 0 GHADMP CCOC[C@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2ncn(CC3CC3)c21 ZINC001173109185 906195161 /nfs/dbraw/zinc/19/51/61/906195161.db2.gz GZFAPAZDCSILCO-QNGMFEMESA-N 2 1 388.600 3.882 20 0 GHADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2ncn(CC3CC3)c21 ZINC001173109185 906195166 /nfs/dbraw/zinc/19/51/66/906195166.db2.gz GZFAPAZDCSILCO-QNGMFEMESA-N 2 1 388.600 3.882 20 0 GHADMP C[C@@H]1CC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173675700 906614399 /nfs/dbraw/zinc/61/43/99/906614399.db2.gz ZEMUBZWNMOHHNQ-SRBMLKMVSA-N 2 1 399.579 3.883 20 0 GHADMP C[C@@H]1CC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173675700 906614406 /nfs/dbraw/zinc/61/44/06/906614406.db2.gz ZEMUBZWNMOHHNQ-SRBMLKMVSA-N 2 1 399.579 3.883 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173675560 906614490 /nfs/dbraw/zinc/61/44/90/906614490.db2.gz ZMESDPQGERWRGV-UHFFFAOYSA-N 2 1 387.465 3.749 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173675560 906614496 /nfs/dbraw/zinc/61/44/96/906614496.db2.gz ZMESDPQGERWRGV-UHFFFAOYSA-N 2 1 387.465 3.749 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001173641308 906625532 /nfs/dbraw/zinc/62/55/32/906625532.db2.gz SXYPMOOWRXYLES-NHCUHLMSSA-N 2 1 399.579 3.880 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001173641307 906626518 /nfs/dbraw/zinc/62/65/18/906626518.db2.gz SXYPMOOWRXYLES-LEWJYISDSA-N 2 1 399.579 3.880 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCc1ccncc1 ZINC000180731800 906831458 /nfs/dbraw/zinc/83/14/58/906831458.db2.gz XMGLFYJTOANMHM-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCc1ccncc1 ZINC000180731800 906831470 /nfs/dbraw/zinc/83/14/70/906831470.db2.gz XMGLFYJTOANMHM-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCc1ccncc1 ZINC000180731800 906831478 /nfs/dbraw/zinc/83/14/78/906831478.db2.gz XMGLFYJTOANMHM-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCc1ccncc1 ZINC000180731800 906831492 /nfs/dbraw/zinc/83/14/92/906831492.db2.gz XMGLFYJTOANMHM-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000299263428 921273101 /nfs/dbraw/zinc/27/31/01/921273101.db2.gz KKKJDKOAQLLKKR-CRAIPNDOSA-N 2 1 399.938 3.534 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]([NH3+])c1ccccc1 ZINC000629603085 906896001 /nfs/dbraw/zinc/89/60/01/906896001.db2.gz ZWNLMCKBOOMZAT-MBSDFSHPSA-N 2 1 391.515 3.864 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]([NH3+])c1ccccc1 ZINC000629603085 906896011 /nfs/dbraw/zinc/89/60/11/906896011.db2.gz ZWNLMCKBOOMZAT-MBSDFSHPSA-N 2 1 391.515 3.864 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000779478588 907295251 /nfs/dbraw/zinc/29/52/51/907295251.db2.gz QFRBNAAJSSUMNA-RXVVDRJESA-N 2 1 387.568 3.838 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000779478588 907295266 /nfs/dbraw/zinc/29/52/66/907295266.db2.gz QFRBNAAJSSUMNA-RXVVDRJESA-N 2 1 387.568 3.838 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000779478588 907295279 /nfs/dbraw/zinc/29/52/79/907295279.db2.gz QFRBNAAJSSUMNA-RXVVDRJESA-N 2 1 387.568 3.838 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000779478588 907295293 /nfs/dbraw/zinc/29/52/93/907295293.db2.gz QFRBNAAJSSUMNA-RXVVDRJESA-N 2 1 387.568 3.838 20 0 GHADMP COc1ccccc1[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001175620251 907671189 /nfs/dbraw/zinc/67/11/89/907671189.db2.gz BAFFUZVWKMLKOC-VXKWHMMOSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001175620251 907671194 /nfs/dbraw/zinc/67/11/94/907671194.db2.gz BAFFUZVWKMLKOC-VXKWHMMOSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001175620251 907671199 /nfs/dbraw/zinc/67/11/99/907671199.db2.gz BAFFUZVWKMLKOC-VXKWHMMOSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001175620251 907671205 /nfs/dbraw/zinc/67/12/05/907671205.db2.gz BAFFUZVWKMLKOC-VXKWHMMOSA-N 2 1 382.548 3.758 20 0 GHADMP CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(C)ccn1 ZINC000631578877 907765207 /nfs/dbraw/zinc/76/52/07/907765207.db2.gz BBPLDPNWPYPRNL-FCHUYYIVSA-N 2 1 394.563 3.718 20 0 GHADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000631584455 907767262 /nfs/dbraw/zinc/76/72/62/907767262.db2.gz DAMWZGURBNLLKU-IBGZPJMESA-N 2 1 382.508 3.574 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(Nc2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC001175826376 907783439 /nfs/dbraw/zinc/78/34/39/907783439.db2.gz KJEBVSDUESSARY-UHFFFAOYSA-N 2 1 377.492 3.606 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Nc3cccc(C[NH+]4CCOCC4)c3)cc2)CC1 ZINC001175859694 907799900 /nfs/dbraw/zinc/79/99/00/907799900.db2.gz AMDRCCQYAGVLHV-UHFFFAOYSA-N 2 1 381.520 3.735 20 0 GHADMP FC(F)(F)c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631680837 907801989 /nfs/dbraw/zinc/80/19/89/907801989.db2.gz SUMAXTPTMLFQHG-HNNXBMFYSA-N 2 1 381.442 3.572 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678559 907812478 /nfs/dbraw/zinc/81/24/78/907812478.db2.gz YGYJYDLZJNPFFG-YQVWRLOYSA-N 2 1 375.532 3.588 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678559 907812487 /nfs/dbraw/zinc/81/24/87/907812487.db2.gz YGYJYDLZJNPFFG-YQVWRLOYSA-N 2 1 375.532 3.588 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697715 907816709 /nfs/dbraw/zinc/81/67/09/907816709.db2.gz QJFCZFQBLWEDPX-PMPSAXMXSA-N 2 1 393.959 3.918 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697715 907816714 /nfs/dbraw/zinc/81/67/14/907816714.db2.gz QJFCZFQBLWEDPX-PMPSAXMXSA-N 2 1 393.959 3.918 20 0 GHADMP C[C@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000186469744 907929311 /nfs/dbraw/zinc/92/93/11/907929311.db2.gz GUHFIDXPHSFKOM-RDJZCZTQSA-N 2 1 387.959 3.878 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cc1F ZINC000187162255 908050296 /nfs/dbraw/zinc/05/02/96/908050296.db2.gz LTJGYANYFTWPJH-UHFFFAOYSA-N 2 1 378.451 3.519 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)CC2)oc1C ZINC000187268030 908064219 /nfs/dbraw/zinc/06/42/19/908064219.db2.gz KZJROYLGMZLECY-UHFFFAOYSA-N 2 1 399.535 3.938 20 0 GHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001177483108 908594069 /nfs/dbraw/zinc/59/40/69/908594069.db2.gz CVSYDNRLQBPTBE-GJZGRUSLSA-N 2 1 377.520 3.635 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001177483108 908594080 /nfs/dbraw/zinc/59/40/80/908594080.db2.gz CVSYDNRLQBPTBE-GJZGRUSLSA-N 2 1 377.520 3.635 20 0 GHADMP [NH3+]C1(c2noc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3cccs3)n2)CCC1 ZINC000634556631 908764870 /nfs/dbraw/zinc/76/48/70/908764870.db2.gz ZNMTUGJXVDBCDH-IAGOWNOFSA-N 2 1 380.517 3.852 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]1c1cccs1 ZINC001177920370 908804130 /nfs/dbraw/zinc/80/41/30/908804130.db2.gz SWQGBCDVXNBHBD-JXFKEZNVSA-N 2 1 387.549 3.618 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]1c1cccs1 ZINC001177920370 908804145 /nfs/dbraw/zinc/80/41/45/908804145.db2.gz SWQGBCDVXNBHBD-JXFKEZNVSA-N 2 1 387.549 3.618 20 0 GHADMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1OCc1cccnc1 ZINC000266161685 909024485 /nfs/dbraw/zinc/02/44/85/909024485.db2.gz NOSDNVRCIJGUAB-UHFFFAOYSA-N 2 1 380.492 3.744 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000635006404 909098592 /nfs/dbraw/zinc/09/85/92/909098592.db2.gz YIVRDFKRSWWNAD-AUUYWEPGSA-N 2 1 380.458 3.821 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001179339160 909497373 /nfs/dbraw/zinc/49/73/73/909497373.db2.gz XEZSJJWZJKSMJK-GCJKJVERSA-N 2 1 390.531 3.943 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@]3(C)C3CCCCC3)CC2)CC1 ZINC000636383915 909566522 /nfs/dbraw/zinc/56/65/22/909566522.db2.gz BAPVDSUISWPLBF-HSZRJFAPSA-N 2 1 375.601 3.754 20 0 GHADMP CCOC(=O)c1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000717637575 909659431 /nfs/dbraw/zinc/65/94/31/909659431.db2.gz KPBZCBRNTYEFCQ-UHFFFAOYSA-N 2 1 387.549 3.664 20 0 GHADMP CCOC(=O)c1ncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000717637575 909659439 /nfs/dbraw/zinc/65/94/39/909659439.db2.gz KPBZCBRNTYEFCQ-UHFFFAOYSA-N 2 1 387.549 3.664 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268789529 910016742 /nfs/dbraw/zinc/01/67/42/910016742.db2.gz GCWNZYMAYZWZCX-KRWDZBQOSA-N 2 1 375.476 3.769 20 0 GHADMP [NH3+]C1(CC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000637992891 910023016 /nfs/dbraw/zinc/02/30/16/910023016.db2.gz UXJLGWZJHHZSGS-UHFFFAOYSA-N 2 1 391.515 3.528 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000638070988 910044063 /nfs/dbraw/zinc/04/40/63/910044063.db2.gz CZXVKVMIIJBJAV-UHFFFAOYSA-N 2 1 388.515 3.882 20 0 GHADMP CCC[N@H+]([C@H](c1nccn1C)C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638086272 910050325 /nfs/dbraw/zinc/05/03/25/910050325.db2.gz XNHXWOWEGUHOGG-NRFANRHFSA-N 2 1 382.556 3.659 20 0 GHADMP CCC[N@@H+]([C@H](c1nccn1C)C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638086272 910050335 /nfs/dbraw/zinc/05/03/35/910050335.db2.gz XNHXWOWEGUHOGG-NRFANRHFSA-N 2 1 382.556 3.659 20 0 GHADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc4ccc(F)c(F)c4n3)CC2)CC1 ZINC000638151288 910069535 /nfs/dbraw/zinc/06/95/35/910069535.db2.gz BRHUJHKUHKNOAK-UHFFFAOYSA-N 2 1 388.506 3.503 20 0 GHADMP COCC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638331665 910120563 /nfs/dbraw/zinc/12/05/63/910120563.db2.gz JPKFZHHDMMGGTM-NFBKMPQASA-N 2 1 393.531 3.729 20 0 GHADMP COCC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638331665 910120572 /nfs/dbraw/zinc/12/05/72/910120572.db2.gz JPKFZHHDMMGGTM-NFBKMPQASA-N 2 1 393.531 3.729 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000246285181 910216298 /nfs/dbraw/zinc/21/62/98/910216298.db2.gz CQNCEQXNMVGGJU-PZJWPPBQSA-N 2 1 395.551 3.668 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccn(C(F)F)c2=O)C[N@H+]1Cc1ccccc1 ZINC000638797677 910239051 /nfs/dbraw/zinc/23/90/51/910239051.db2.gz VBWDNAMWYKAZSR-FUHWJXTLSA-N 2 1 375.463 3.634 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001274471077 910262672 /nfs/dbraw/zinc/26/26/72/910262672.db2.gz CUBPWGDRJMRXFX-NSHGMRRFSA-N 2 1 377.960 3.523 20 0 GHADMP Cc1nc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cs1 ZINC000269434593 910265091 /nfs/dbraw/zinc/26/50/91/910265091.db2.gz QMXAHEICHLPMFS-INIZCTEOSA-N 2 1 389.565 3.792 20 0 GHADMP Cc1nc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cs1 ZINC000269434593 910265099 /nfs/dbraw/zinc/26/50/99/910265099.db2.gz QMXAHEICHLPMFS-INIZCTEOSA-N 2 1 389.565 3.792 20 0 GHADMP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000639022895 910293850 /nfs/dbraw/zinc/29/38/50/910293850.db2.gz JPIDDVXXXSMBNU-YLJYHZDGSA-N 2 1 392.547 3.657 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(F)c3N)CC2)c1C ZINC000639178268 910342978 /nfs/dbraw/zinc/34/29/78/910342978.db2.gz GTYIBIWPUUHEFZ-UHFFFAOYSA-N 2 1 386.515 3.525 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(F)c3N)CC2)c1C ZINC000639178268 910342992 /nfs/dbraw/zinc/34/29/92/910342992.db2.gz GTYIBIWPUUHEFZ-UHFFFAOYSA-N 2 1 386.515 3.525 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639244419 910363271 /nfs/dbraw/zinc/36/32/71/910363271.db2.gz ILJKFZDAVDILSG-VKGYTVAMSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639244419 910363280 /nfs/dbraw/zinc/36/32/80/910363280.db2.gz ILJKFZDAVDILSG-VKGYTVAMSA-N 2 1 380.536 3.598 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000640607919 911084010 /nfs/dbraw/zinc/08/40/10/911084010.db2.gz DOATXHIHJAQFPG-XMSQKQJNSA-N 2 1 395.551 3.660 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000640607919 911084030 /nfs/dbraw/zinc/08/40/30/911084030.db2.gz DOATXHIHJAQFPG-XMSQKQJNSA-N 2 1 395.551 3.660 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001181995112 911116846 /nfs/dbraw/zinc/11/68/46/911116846.db2.gz NQUSRIOBLXMHRI-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP CN(Cc1ccccc1)[C@@H](C(=O)NCc1[nH+]cn2ccccc12)c1ccccc1 ZINC001182243601 911325743 /nfs/dbraw/zinc/32/57/43/911325743.db2.gz HUMJRRMHMOLYQX-HSZRJFAPSA-N 2 1 384.483 3.824 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)C2 ZINC001182251266 911345344 /nfs/dbraw/zinc/34/53/44/911345344.db2.gz VJWLTCZUNLCFEB-SYYKKAFVSA-N 2 1 389.971 3.667 20 0 GHADMP COc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000284110888 911755916 /nfs/dbraw/zinc/75/59/16/911755916.db2.gz CDJFXGBRESJYHJ-DNVCBOLYSA-N 2 1 389.927 3.551 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)[NH+](C)C)cc1 ZINC001182482566 911833617 /nfs/dbraw/zinc/83/36/17/911833617.db2.gz RCOGRVYXUYTQIB-DHIUTWEWSA-N 2 1 379.548 3.837 20 0 GHADMP CC[NH+](CC)CCNC(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001186935901 914883506 /nfs/dbraw/zinc/88/35/06/914883506.db2.gz QYGHOCNWGVWJQN-NFBKMPQASA-N 2 1 393.575 3.944 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000647179216 915073810 /nfs/dbraw/zinc/07/38/10/915073810.db2.gz ILQGRRGELMVESP-HXUWFJFHSA-N 2 1 378.520 3.643 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)o1 ZINC000647179215 915074184 /nfs/dbraw/zinc/07/41/84/915074184.db2.gz ILQGRRGELMVESP-FQEVSTJZSA-N 2 1 378.520 3.643 20 0 GHADMP O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192456 915079637 /nfs/dbraw/zinc/07/96/37/915079637.db2.gz HWSKHIBMASELOU-FCHUYYIVSA-N 2 1 381.564 3.564 20 0 GHADMP O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192456 915079652 /nfs/dbraw/zinc/07/96/52/915079652.db2.gz HWSKHIBMASELOU-FCHUYYIVSA-N 2 1 381.564 3.564 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)[C@H](c2ccccc2)C1 ZINC000647344719 915165381 /nfs/dbraw/zinc/16/53/81/915165381.db2.gz XWYWJFCLJDZIPT-NQIIRXRSSA-N 2 1 385.502 3.869 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000647497586 915308721 /nfs/dbraw/zinc/30/87/21/915308721.db2.gz MZTCYNRZSGEURX-UGKGYDQZSA-N 2 1 375.520 3.553 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000648734556 915842686 /nfs/dbraw/zinc/84/26/86/915842686.db2.gz QQPZKOIVUKQCBZ-OALUTQOASA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000648734556 915842699 /nfs/dbraw/zinc/84/26/99/915842699.db2.gz QQPZKOIVUKQCBZ-OALUTQOASA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000648734557 915843654 /nfs/dbraw/zinc/84/36/54/915843654.db2.gz QQPZKOIVUKQCBZ-RBUKOAKNSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000648734557 915843674 /nfs/dbraw/zinc/84/36/74/915843674.db2.gz QQPZKOIVUKQCBZ-RBUKOAKNSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000648901789 915930972 /nfs/dbraw/zinc/93/09/72/915930972.db2.gz ZMMHVJAACUHMGO-XXBNENTESA-N 2 1 380.536 3.521 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000648901789 915930981 /nfs/dbraw/zinc/93/09/81/915930981.db2.gz ZMMHVJAACUHMGO-XXBNENTESA-N 2 1 380.536 3.521 20 0 GHADMP CCc1nccn1[C@H](C)CC(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649063902 916007400 /nfs/dbraw/zinc/00/74/00/916007400.db2.gz NCJFGVFOMHJGHT-TZIWHRDSSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649063902 916007408 /nfs/dbraw/zinc/00/74/08/916007408.db2.gz NCJFGVFOMHJGHT-TZIWHRDSSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649063902 916007418 /nfs/dbraw/zinc/00/74/18/916007418.db2.gz NCJFGVFOMHJGHT-TZIWHRDSSA-N 2 1 382.552 3.908 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000649340987 916106354 /nfs/dbraw/zinc/10/63/54/916106354.db2.gz FJYNVDLFORWCEF-NQIIRXRSSA-N 2 1 397.588 3.569 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189750838 916875243 /nfs/dbraw/zinc/87/52/43/916875243.db2.gz YHFPSCYDVXHJBR-OAQYLSRUSA-N 2 1 395.547 3.908 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000775309833 916896173 /nfs/dbraw/zinc/89/61/73/916896173.db2.gz GIYWADXYMABCEJ-AVRDEDQJSA-N 2 1 377.532 3.596 20 0 GHADMP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCc2ccccc2C1 ZINC001190510301 917374007 /nfs/dbraw/zinc/37/40/07/917374007.db2.gz LTNSUNZSZUOXCO-BJKOFHAPSA-N 2 1 393.575 3.675 20 0 GHADMP C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cc(Cl)cc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000295713136 917440991 /nfs/dbraw/zinc/44/09/91/917440991.db2.gz KITDNVYNHWPYCE-GQTOQBHESA-N 2 1 394.987 3.807 20 0 GHADMP CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001190723587 917529834 /nfs/dbraw/zinc/52/98/34/917529834.db2.gz VRZNARACYJPQIW-UHFFFAOYSA-N 2 1 387.568 3.973 20 0 GHADMP CC1(C)C[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@@H]1O ZINC000295880409 917572517 /nfs/dbraw/zinc/57/25/17/917572517.db2.gz ZRMXHVDAJNTXHZ-PMACEKPBSA-N 2 1 394.987 3.526 20 0 GHADMP CC1(C)C[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@H](O)C(C)(C)C3)c2)CC[C@@H]1O ZINC000295880409 917572527 /nfs/dbraw/zinc/57/25/27/917572527.db2.gz ZRMXHVDAJNTXHZ-PMACEKPBSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]1CC[NH3+] ZINC000652353840 917879111 /nfs/dbraw/zinc/87/91/11/917879111.db2.gz FJWMQDWNRHNVNN-ZWCUEREDSA-N 2 1 385.577 3.793 20 0 GHADMP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000653104723 918127008 /nfs/dbraw/zinc/12/70/08/918127008.db2.gz RRPRZCUQCOHHRO-UHFFFAOYSA-N 2 1 399.538 3.735 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000653153642 918144445 /nfs/dbraw/zinc/14/44/45/918144445.db2.gz VRBWLTWTWZQGMB-MDASCCDHSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000653153642 918144454 /nfs/dbraw/zinc/14/44/54/918144454.db2.gz VRBWLTWTWZQGMB-MDASCCDHSA-N 2 1 381.923 3.509 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000363372406 918166920 /nfs/dbraw/zinc/16/69/20/918166920.db2.gz WVKQBTXSSBDTPK-LSDHHAIUSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000363372406 918166929 /nfs/dbraw/zinc/16/69/29/918166929.db2.gz WVKQBTXSSBDTPK-LSDHHAIUSA-N 2 1 383.330 3.573 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H]([N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000653617226 918359831 /nfs/dbraw/zinc/35/98/31/918359831.db2.gz MMCYJIUZAPTDAL-JTHBVZDNSA-N 2 1 392.547 3.974 20 0 GHADMP COC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C[NH+]3CCC[C@H](COC)C3)c2)C1 ZINC000297409730 919303567 /nfs/dbraw/zinc/30/35/67/919303567.db2.gz GHBLMTCWZOFFOI-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000297409730 919303584 /nfs/dbraw/zinc/30/35/84/919303584.db2.gz GHBLMTCWZOFFOI-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000297409730 919303602 /nfs/dbraw/zinc/30/36/02/919303602.db2.gz GHBLMTCWZOFFOI-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381997678 919717833 /nfs/dbraw/zinc/71/78/33/919717833.db2.gz QGRJBOLRONZFHB-HXUWFJFHSA-N 2 1 375.557 3.793 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381997676 919717991 /nfs/dbraw/zinc/71/79/91/919717991.db2.gz QGRJBOLRONZFHB-FQEVSTJZSA-N 2 1 375.557 3.793 20 0 GHADMP C[NH2+]C[C@@H](C)c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)c2ccccc2)n1 ZINC000900006041 919740113 /nfs/dbraw/zinc/74/01/13/919740113.db2.gz ODQDGZLYSQGKOH-ZHRMCQFGSA-N 2 1 390.531 3.950 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000367171855 921956455 /nfs/dbraw/zinc/95/64/55/921956455.db2.gz SHLYMFYPAUNTJN-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP c1ccc(CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000902808240 922510038 /nfs/dbraw/zinc/51/00/38/922510038.db2.gz GKNXJENQSLFKSK-XUZZJYLKSA-N 2 1 379.548 3.846 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)cc1F ZINC000368614453 922773839 /nfs/dbraw/zinc/77/38/39/922773839.db2.gz NPRVHCZOQRJDLS-OAHLLOKOSA-N 2 1 376.439 3.751 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3F)C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000903107287 922778373 /nfs/dbraw/zinc/77/83/73/922778373.db2.gz PVAIAGRLPSNRQO-HSZRJFAPSA-N 2 1 398.526 3.959 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C[C@H]2C1 ZINC000903184178 922839144 /nfs/dbraw/zinc/83/91/44/922839144.db2.gz AZSURXSBDHDXST-BYRZEANZSA-N 2 1 389.584 3.769 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C2)CC1 ZINC000369213954 923210322 /nfs/dbraw/zinc/21/03/22/923210322.db2.gz IAABWXRJEZTMIP-UHFFFAOYSA-N 2 1 380.558 3.798 20 0 GHADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000369933219 923751498 /nfs/dbraw/zinc/75/14/98/923751498.db2.gz BTKLCMJUSNJICT-MJGOQNOKSA-N 2 1 397.485 3.546 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C2CC2)c1 ZINC000677128924 924251050 /nfs/dbraw/zinc/25/10/50/924251050.db2.gz BYORXNKYYVYWEC-FGZHOGPDSA-N 2 1 399.604 3.656 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000678288407 924708454 /nfs/dbraw/zinc/70/84/54/924708454.db2.gz QGJWKSAEOYYERH-JOCHJYFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000678288407 924708460 /nfs/dbraw/zinc/70/84/60/924708460.db2.gz QGJWKSAEOYYERH-JOCHJYFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000678288407 924708467 /nfs/dbraw/zinc/70/84/67/924708467.db2.gz QGJWKSAEOYYERH-JOCHJYFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000678322310 924724190 /nfs/dbraw/zinc/72/41/90/924724190.db2.gz HBSCGQIGWOKUCR-FGZHOGPDSA-N 2 1 384.568 3.709 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678638841 924859732 /nfs/dbraw/zinc/85/97/32/924859732.db2.gz YHHVAEOPNBOHGT-RMRNXIRCSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@H](C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638841 924859739 /nfs/dbraw/zinc/85/97/39/924859739.db2.gz YHHVAEOPNBOHGT-RMRNXIRCSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@H](C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638841 924859744 /nfs/dbraw/zinc/85/97/44/924859744.db2.gz YHHVAEOPNBOHGT-RMRNXIRCSA-N 2 1 392.628 3.900 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679994052 925326463 /nfs/dbraw/zinc/32/64/63/925326463.db2.gz FRMLEOZOZGJBKJ-GHIPVUKMSA-N 2 1 381.923 3.602 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679994052 925326471 /nfs/dbraw/zinc/32/64/71/925326471.db2.gz FRMLEOZOZGJBKJ-GHIPVUKMSA-N 2 1 381.923 3.602 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CCC(C)CC1 ZINC000680038425 925339173 /nfs/dbraw/zinc/33/91/73/925339173.db2.gz MMMSMTUBERDCFE-FCJDFRRUSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410336098 925539915 /nfs/dbraw/zinc/53/99/15/925539915.db2.gz CKBZPXVELDBFFW-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000410353790 925561435 /nfs/dbraw/zinc/56/14/35/925561435.db2.gz MKSZSFOJAVAWDF-UHFFFAOYSA-N 2 1 388.600 3.790 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000681099458 925723706 /nfs/dbraw/zinc/72/37/06/925723706.db2.gz BKOSSXLAHRJEJL-NRFANRHFSA-N 2 1 392.507 3.545 20 0 GHADMP c1ccc2c(c1)CO[C@]21CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681167196 925746776 /nfs/dbraw/zinc/74/67/76/925746776.db2.gz OBJMDEVIEMMYRO-DEOSSOPVSA-N 2 1 378.516 3.793 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)o1 ZINC000681689816 925881254 /nfs/dbraw/zinc/88/12/54/925881254.db2.gz RCCMURHZLSUNAR-HSZRJFAPSA-N 2 1 383.536 3.906 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682908606 926293953 /nfs/dbraw/zinc/29/39/53/926293953.db2.gz VAKAXWTURKGJFH-KXBFYZLASA-N 2 1 381.358 3.613 20 0 GHADMP CC(CC[NH+]1CCC[C@@H](c2ncc[nH]2)C1)CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000411395196 926352430 /nfs/dbraw/zinc/35/24/30/926352430.db2.gz VHFBVCKZSSMKHE-WOJBJXKFSA-N 2 1 384.572 3.608 20 0 GHADMP CC(CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000411392790 926353789 /nfs/dbraw/zinc/35/37/89/926353789.db2.gz DIKRATHHPDZNMS-CJRSTVEYSA-N 2 1 392.628 3.900 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000411546591 926498192 /nfs/dbraw/zinc/49/81/92/926498192.db2.gz BABXJNZKIJGFRT-TZIWHRDSSA-N 2 1 395.547 3.914 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000726237498 926604190 /nfs/dbraw/zinc/60/41/90/926604190.db2.gz AZLRVSYHLSZRCI-ZCNNSNEGSA-N 2 1 392.632 3.697 20 0 GHADMP C[N@@H+](CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC000726247708 926610078 /nfs/dbraw/zinc/61/00/78/926610078.db2.gz HOORDMXCBGRMPL-UHFFFAOYSA-N 2 1 378.605 3.595 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411801892 926787140 /nfs/dbraw/zinc/78/71/40/926787140.db2.gz ZYBNZBPTVHNYMQ-KSZLIROESA-N 2 1 375.582 3.744 20 0 GHADMP CC[N@@H+](CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C(C)C ZINC000726703746 926814654 /nfs/dbraw/zinc/81/46/54/926814654.db2.gz BWYIHNJFURNXCV-UHFFFAOYSA-N 2 1 396.579 3.945 20 0 GHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000374990798 927785019 /nfs/dbraw/zinc/78/50/19/927785019.db2.gz VHNKKZKCIIPNHN-FQEVSTJZSA-N 2 1 390.524 3.676 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[NH+]([C@H](C)c4cccnc4)CC3)c2cc1OC ZINC000413133701 928243364 /nfs/dbraw/zinc/24/33/64/928243364.db2.gz CUPGWMCALFTBLC-MRXNPFEDSA-N 2 1 378.476 3.530 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000751562947 928251438 /nfs/dbraw/zinc/25/14/38/928251438.db2.gz DYVLNTXZRVWGGW-FQEVSTJZSA-N 2 1 389.337 3.737 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000467197034 928813384 /nfs/dbraw/zinc/81/33/84/928813384.db2.gz RPHLWZQRZARMNE-HSZRJFAPSA-N 2 1 391.644 3.996 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000467197034 928813388 /nfs/dbraw/zinc/81/33/88/928813388.db2.gz RPHLWZQRZARMNE-HSZRJFAPSA-N 3 1 391.644 3.996 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000467197034 928813394 /nfs/dbraw/zinc/81/33/94/928813394.db2.gz RPHLWZQRZARMNE-HSZRJFAPSA-N 3 1 391.644 3.996 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000467689360 929305358 /nfs/dbraw/zinc/30/53/58/929305358.db2.gz TWAGICHAQFHWII-AUSIDOKSSA-N 2 1 377.532 3.675 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(-c3ccccc3)nn2)C[N@H+]1Cc1ccccc1 ZINC000753850367 929562989 /nfs/dbraw/zinc/56/29/89/929562989.db2.gz KTVZKDDURMLPOE-TZIWHRDSSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1(C)C ZINC000546122234 929875525 /nfs/dbraw/zinc/87/55/25/929875525.db2.gz BWTHLLRQPVOEHY-KRWDZBQOSA-N 2 1 375.582 3.542 20 0 GHADMP CC(C)c1nccn1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469832135 930189236 /nfs/dbraw/zinc/18/92/36/930189236.db2.gz RVUVFCOMSFUVJO-PZJWPPBQSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469832135 930189243 /nfs/dbraw/zinc/18/92/43/930189243.db2.gz RVUVFCOMSFUVJO-PZJWPPBQSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469832135 930189245 /nfs/dbraw/zinc/18/92/45/930189245.db2.gz RVUVFCOMSFUVJO-PZJWPPBQSA-N 2 1 382.552 3.908 20 0 GHADMP CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746330 930878405 /nfs/dbraw/zinc/87/84/05/930878405.db2.gz NOHFOCDYNVQQRR-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](CCCCCCCCC[N@H+]2CCN(C)[C@@H](C)[C@H]2C)CCN1C ZINC000781903402 931019400 /nfs/dbraw/zinc/01/94/00/931019400.db2.gz SDWQERUNSNIXAP-ZCQNZVIGSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1[C@H](C)[N@H+](CCCCCCCCC[NH+]2CCN(C)[C@@H](C)[C@H]2C)CCN1C ZINC000781903402 931019407 /nfs/dbraw/zinc/01/94/07/931019407.db2.gz SDWQERUNSNIXAP-ZCQNZVIGSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](CCCCCCCCC[NH+]2CCN(C)[C@@H](C)[C@H]2C)CCN1C ZINC000781903402 931019420 /nfs/dbraw/zinc/01/94/20/931019420.db2.gz SDWQERUNSNIXAP-ZCQNZVIGSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2)C[C@H](C2CC2)O1 ZINC000470916251 931027145 /nfs/dbraw/zinc/02/71/45/931027145.db2.gz IRYFZINOVVHYNP-GRJZNYKUSA-N 2 1 384.564 3.685 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2)C[C@H](C2CC2)O1 ZINC000470916251 931027149 /nfs/dbraw/zinc/02/71/49/931027149.db2.gz IRYFZINOVVHYNP-GRJZNYKUSA-N 2 1 384.564 3.685 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2)C[C@H](C2CC2)O1 ZINC000470916251 931027156 /nfs/dbraw/zinc/02/71/56/931027156.db2.gz IRYFZINOVVHYNP-GRJZNYKUSA-N 2 1 384.564 3.685 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(-c2ccccc2)c1 ZINC000781922761 931031261 /nfs/dbraw/zinc/03/12/61/931031261.db2.gz KROIBYXYCAQHRG-CYFREDJKSA-N 2 1 390.531 3.680 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000471090954 931144176 /nfs/dbraw/zinc/14/41/76/931144176.db2.gz OVFXYARRHWOYGN-PKOBYXMFSA-N 2 1 388.581 3.561 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000187284731 931379946 /nfs/dbraw/zinc/37/99/46/931379946.db2.gz PFBZOHAJHNWQSW-AVRDEDQJSA-N 2 1 377.532 3.738 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000187284731 931379958 /nfs/dbraw/zinc/37/99/58/931379958.db2.gz PFBZOHAJHNWQSW-AVRDEDQJSA-N 2 1 377.532 3.738 20 0 GHADMP CN1CC[NH+](CCCC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924657537 931465417 /nfs/dbraw/zinc/46/54/17/931465417.db2.gz HCOYMHYDMKNODS-HSZRJFAPSA-N 2 1 378.520 3.534 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000783494887 931562256 /nfs/dbraw/zinc/56/22/56/931562256.db2.gz QHCOHMYYEUKDSA-NRFANRHFSA-N 2 1 387.568 3.814 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000783494887 931562265 /nfs/dbraw/zinc/56/22/65/931562265.db2.gz QHCOHMYYEUKDSA-NRFANRHFSA-N 2 1 387.568 3.814 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925021547 931615368 /nfs/dbraw/zinc/61/53/68/931615368.db2.gz AHTXZOVGJKYHBO-CVDCTZTESA-N 2 1 379.504 3.744 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925021547 931615372 /nfs/dbraw/zinc/61/53/72/931615372.db2.gz AHTXZOVGJKYHBO-CVDCTZTESA-N 2 1 379.504 3.744 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CC2)cs1 ZINC000925030264 931618380 /nfs/dbraw/zinc/61/83/80/931618380.db2.gz HHCHQZCJURVFFP-WIYYLYMNSA-N 2 1 377.598 3.712 20 0 GHADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000925089476 931640896 /nfs/dbraw/zinc/64/08/96/931640896.db2.gz JVJTZECOFMJYSY-CQEAQJRCSA-N 2 1 397.485 3.735 20 0 GHADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000925089476 931640904 /nfs/dbraw/zinc/64/09/04/931640904.db2.gz JVJTZECOFMJYSY-CQEAQJRCSA-N 2 1 397.485 3.735 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)COc2cccc(F)c2)CC1 ZINC000796700647 931798979 /nfs/dbraw/zinc/79/89/79/931798979.db2.gz FVYFWQBJXFRWBQ-HRTMPFAESA-N 2 1 386.511 3.598 20 0 GHADMP OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925617319 931840285 /nfs/dbraw/zinc/84/02/85/931840285.db2.gz PUPOSPGYLJQDAR-PYIDMUEMSA-N 2 1 394.559 3.646 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2cccnc2)cc1 ZINC000925651869 931864275 /nfs/dbraw/zinc/86/42/75/931864275.db2.gz BIWSJHMHKYMWIR-HSZRJFAPSA-N 2 1 376.504 3.605 20 0 GHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000796758515 932056010 /nfs/dbraw/zinc/05/60/10/932056010.db2.gz DHJMTJLXMRYFIC-ZEQRLZLVSA-N 2 1 395.547 3.607 20 0 GHADMP C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)O2)CO1 ZINC000926880619 932335182 /nfs/dbraw/zinc/33/51/82/932335182.db2.gz YTBSLOIHSOBXBQ-WCVNHXBUSA-N 2 1 384.564 3.888 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CCCc4c(Cl)ccnc43)C2)[C@@H]1C(C)C ZINC000926880854 932335199 /nfs/dbraw/zinc/33/51/99/932335199.db2.gz QFYZYLDOCGXAGH-QEUPLWARSA-N 2 1 377.960 3.572 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3COCc4cccc(Cl)c43)cc2)CC1 ZINC000798182879 932554622 /nfs/dbraw/zinc/55/46/22/932554622.db2.gz KXKYZLPOPXXSGO-OAQYLSRUSA-N 2 1 386.923 3.658 20 0 GHADMP CC(C)(C)OC(=O)NC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000798275429 932588640 /nfs/dbraw/zinc/58/86/40/932588640.db2.gz NMSQDMFWMTUKPV-UHFFFAOYSA-N 2 1 387.568 3.731 20 0 GHADMP CCCC[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395841 932628246 /nfs/dbraw/zinc/62/82/46/932628246.db2.gz KSHUVVGXMWZESB-REWPJTCUSA-N 2 1 398.551 3.982 20 0 GHADMP CCCC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395841 932628250 /nfs/dbraw/zinc/62/82/50/932628250.db2.gz KSHUVVGXMWZESB-REWPJTCUSA-N 2 1 398.551 3.982 20 0 GHADMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000798499115 932672389 /nfs/dbraw/zinc/67/23/89/932672389.db2.gz MSMNHABDXXWWTB-HSZRJFAPSA-N 2 1 384.520 3.714 20 0 GHADMP COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000798499115 932672393 /nfs/dbraw/zinc/67/23/93/932672393.db2.gz MSMNHABDXXWWTB-HSZRJFAPSA-N 2 1 384.520 3.714 20 0 GHADMP C[C@@]1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934413 932821919 /nfs/dbraw/zinc/82/19/19/932821919.db2.gz FTYXTOBALYGTMH-FQEVSTJZSA-N 2 1 383.502 3.905 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000798934018 932822159 /nfs/dbraw/zinc/82/21/59/932822159.db2.gz BAKTZIZSWGTUCM-FDDCHVKYSA-N 2 1 377.536 3.909 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000798934018 932822176 /nfs/dbraw/zinc/82/21/76/932822176.db2.gz BAKTZIZSWGTUCM-FDDCHVKYSA-N 2 1 377.536 3.909 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798955437 932837845 /nfs/dbraw/zinc/83/78/45/932837845.db2.gz PXFCGSMHGWLFMR-DVECYGJZSA-N 2 1 396.531 3.629 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@@H](C)C1 ZINC000799139307 932885913 /nfs/dbraw/zinc/88/59/13/932885913.db2.gz NVPGMDVVBSKQMW-UGKGYDQZSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@@H](C)C1 ZINC000799139307 932885927 /nfs/dbraw/zinc/88/59/27/932885927.db2.gz NVPGMDVVBSKQMW-UGKGYDQZSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@@H](C)C1 ZINC000799139307 932885931 /nfs/dbraw/zinc/88/59/31/932885931.db2.gz NVPGMDVVBSKQMW-UGKGYDQZSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176837 932898053 /nfs/dbraw/zinc/89/80/53/932898053.db2.gz CZPMGUMUDHRREY-FQEVSTJZSA-N 2 1 398.595 3.812 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCCN(c4ccccc4Cl)C3=O)C2)CC1 ZINC000799177483 932899341 /nfs/dbraw/zinc/89/93/41/932899341.db2.gz SMJWNQVQTVOJOL-LJQANCHMSA-N 2 1 375.944 3.643 20 0 GHADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178077 932899366 /nfs/dbraw/zinc/89/93/66/932899366.db2.gz KCWPAAZFQXVIMF-UHFFFAOYSA-N 2 1 398.378 3.760 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799177378 932899472 /nfs/dbraw/zinc/89/94/72/932899472.db2.gz NBQMDXACAWEMTJ-IAGOWNOFSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC000799178673 932900637 /nfs/dbraw/zinc/90/06/37/932900637.db2.gz CEVNFHJDZARFND-LJQANCHMSA-N 2 1 383.580 3.550 20 0 GHADMP C[C@H](Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777686817 932924294 /nfs/dbraw/zinc/92/42/94/932924294.db2.gz DXYHCFRHYQQFFF-GBXCKJPGSA-N 2 1 397.563 3.719 20 0 GHADMP C[C@H](Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777686817 932924302 /nfs/dbraw/zinc/92/43/02/932924302.db2.gz DXYHCFRHYQQFFF-GBXCKJPGSA-N 2 1 397.563 3.719 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000560018880 933020753 /nfs/dbraw/zinc/02/07/53/933020753.db2.gz SUSMIDJYWOTOIW-XMSQKQJNSA-N 2 1 390.930 3.884 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000560018880 933020756 /nfs/dbraw/zinc/02/07/56/933020756.db2.gz SUSMIDJYWOTOIW-XMSQKQJNSA-N 2 1 390.930 3.884 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@H]1Oc1ccccc1 ZINC000560233193 933145627 /nfs/dbraw/zinc/14/56/27/933145627.db2.gz KXRLNQZDJMAYFY-YMPZKCBVSA-N 2 1 380.532 3.589 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000561045973 933813560 /nfs/dbraw/zinc/81/35/60/933813560.db2.gz QGIVSZDBLIDLJQ-PXNSSMCTSA-N 2 1 378.520 3.507 20 0 GHADMP C[NH2+][C@@H](C)CCNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001118015499 934078401 /nfs/dbraw/zinc/07/84/01/934078401.db2.gz BLCJODCFJZJDLU-RXVVDRJESA-N 2 1 390.572 3.586 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)c1 ZINC001119502524 934361511 /nfs/dbraw/zinc/36/15/11/934361511.db2.gz QNQUXRQJTGEDQK-QHCPKHFHSA-N 2 1 379.548 3.878 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)c1 ZINC001119502524 934361521 /nfs/dbraw/zinc/36/15/21/934361521.db2.gz QNQUXRQJTGEDQK-QHCPKHFHSA-N 2 1 379.548 3.878 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)c1 ZINC001119502524 934361531 /nfs/dbraw/zinc/36/15/31/934361531.db2.gz QNQUXRQJTGEDQK-QHCPKHFHSA-N 2 1 379.548 3.878 20 0 GHADMP C[NH+](C)Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001120558600 934473103 /nfs/dbraw/zinc/47/31/03/934473103.db2.gz HVSYIYKBKBGHQM-UHFFFAOYSA-N 2 1 388.577 3.609 20 0 GHADMP Cc1nc([C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)oc1-c1ccc(Cl)cc1 ZINC000931483121 934578745 /nfs/dbraw/zinc/57/87/45/934578745.db2.gz CKCUWDQFDDCTAG-OAHLLOKOSA-N 2 1 377.916 3.753 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963431 934590243 /nfs/dbraw/zinc/59/02/43/934590243.db2.gz NPCZMVZQVSWDCR-DSITVLBTSA-N 2 1 375.560 3.682 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000561970285 934594697 /nfs/dbraw/zinc/59/46/97/934594697.db2.gz DBAZEKOKZJRARQ-UHFFFAOYSA-N 2 1 394.629 3.501 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1cc3ccccc3s1)CCC2 ZINC001137684408 935711322 /nfs/dbraw/zinc/71/13/22/935711322.db2.gz OEQFWGJEEBAFPA-UHFFFAOYSA-N 2 1 384.549 3.582 20 0 GHADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)CC[N@H+]1Cc1ccccc1 ZINC001137819201 935806533 /nfs/dbraw/zinc/80/65/33/935806533.db2.gz MSFAAVZSLHGCAF-XBYSBRQOSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1cccc(C)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001137850843 935824326 /nfs/dbraw/zinc/82/43/26/935824326.db2.gz XJQAQGYXQMSXRU-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP Cc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)c2ccccc12 ZINC001138015423 935929024 /nfs/dbraw/zinc/92/90/24/935929024.db2.gz FLCDIDMQQJYRNN-UHFFFAOYSA-N 2 1 393.575 3.913 20 0 GHADMP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001626111360 1014920865 /nfs/dbraw/zinc/92/08/65/1014920865.db2.gz JOILPAUGZWHELN-IERDGZPVSA-N 2 1 385.939 3.506 20 0 GHADMP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC001626111360 1014920868 /nfs/dbraw/zinc/92/08/68/1014920868.db2.gz JOILPAUGZWHELN-IERDGZPVSA-N 2 1 385.939 3.506 20 0 GHADMP CC(C)C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH2+][C@@H](C)c1ccccc1 ZINC000468005836 1015132267 /nfs/dbraw/zinc/13/22/67/1015132267.db2.gz PLPXACATJFIZIY-UVUJQTEASA-N 2 1 386.584 3.630 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468025229 1015159993 /nfs/dbraw/zinc/15/99/93/1015159993.db2.gz GMFPFXZZAHNFRQ-SEIRJHJZSA-N 2 1 388.600 3.734 20 0 GHADMP CCN(CCC[NH+](C)C)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000468612959 1015844377 /nfs/dbraw/zinc/84/43/77/1015844377.db2.gz QFFOARXPMMCOOZ-UHFFFAOYSA-N 2 1 375.586 3.682 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468663909 1015884310 /nfs/dbraw/zinc/88/43/10/1015884310.db2.gz YVHRWSSIZKSOPU-XVAYZXCPSA-N 2 1 388.600 3.516 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC000468699791 1015925407 /nfs/dbraw/zinc/92/54/07/1015925407.db2.gz YBQGDOMDGQKLIL-QFIPXVFZSA-N 2 1 383.536 3.905 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000468797550 1016044347 /nfs/dbraw/zinc/04/43/47/1016044347.db2.gz CERLUBTZYHJZJT-YYWHXJBOSA-N 2 1 394.003 3.812 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1 ZINC000469013380 1016336073 /nfs/dbraw/zinc/33/60/73/1016336073.db2.gz RMFFHDYDEGKELU-NRFANRHFSA-N 2 1 391.987 3.931 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000469013380 1016336083 /nfs/dbraw/zinc/33/60/83/1016336083.db2.gz RMFFHDYDEGKELU-NRFANRHFSA-N 2 1 391.987 3.931 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000469793622 1016619445 /nfs/dbraw/zinc/61/94/45/1016619445.db2.gz HOVDWRKUYCJYSP-HNAYVOBHSA-N 2 1 383.374 3.984 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924695286 1017004506 /nfs/dbraw/zinc/00/45/06/1017004506.db2.gz QOHYEIXZKJXMJX-LJQANCHMSA-N 2 1 381.568 3.596 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC001220877144 1032166961 /nfs/dbraw/zinc/16/69/61/1032166961.db2.gz PJXKJOVMACZSBM-AQNXPRMDSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001220877144 1032166969 /nfs/dbraw/zinc/16/69/69/1032166969.db2.gz PJXKJOVMACZSBM-AQNXPRMDSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC001220877144 1032166979 /nfs/dbraw/zinc/16/69/79/1032166979.db2.gz PJXKJOVMACZSBM-AQNXPRMDSA-N 2 1 386.584 3.685 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001220917392 1032187308 /nfs/dbraw/zinc/18/73/08/1032187308.db2.gz YHZURJKVMDTRFM-QHCPKHFHSA-N 2 1 383.580 3.613 20 0 GHADMP CCCC(C[NH3+])(CCC)NC(=O)CCC[N@@H+](CC)[C@@H](C)Cc1ccc(O)cc1 ZINC001221374154 1032389619 /nfs/dbraw/zinc/38/96/19/1032389619.db2.gz YPGWDOLFPINAJC-IBGZPJMESA-N 2 1 391.600 3.839 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]([NH3+])Cc4ccccc43)c2c1C ZINC001155305720 1032495105 /nfs/dbraw/zinc/49/51/05/1032495105.db2.gz DCMQPMGDHPFEFI-KRWDZBQOSA-N 2 1 393.560 3.925 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cnc4ccccc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357580 1032516150 /nfs/dbraw/zinc/51/61/50/1032516150.db2.gz HSTAMUJSGBPTOK-HXUWFJFHSA-N 2 1 387.531 3.544 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cc(C4CC4)ccn3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363954 1032520277 /nfs/dbraw/zinc/52/02/77/1032520277.db2.gz OGOSBYXSNKKTAF-QFIPXVFZSA-N 2 1 376.548 3.873 20 0 GHADMP c1ccc(C[N@H+]2C[C@H](CNc3cc(C4CC4)cc[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363954 1032520282 /nfs/dbraw/zinc/52/02/82/1032520282.db2.gz OGOSBYXSNKKTAF-QFIPXVFZSA-N 3 1 376.548 3.873 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cc(C4CC4)cc[nH+]3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363954 1032520287 /nfs/dbraw/zinc/52/02/87/1032520287.db2.gz OGOSBYXSNKKTAF-QFIPXVFZSA-N 3 1 376.548 3.873 20 0 GHADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C2)C1 ZINC001155372711 1032524439 /nfs/dbraw/zinc/52/44/39/1032524439.db2.gz JGCCJILQICDHRD-JOCHJYFZSA-N 2 1 399.542 3.670 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1cc(N3CCCC3)[nH+]c(C)n1)CC21CC[NH2+]CC1 ZINC001155431094 1032539471 /nfs/dbraw/zinc/53/94/71/1032539471.db2.gz PIVLFGOIBKAFIJ-FQEVSTJZSA-N 2 1 377.536 3.872 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)C1 ZINC000559896198 1017512238 /nfs/dbraw/zinc/51/22/38/1017512238.db2.gz QMTQZTGEGOWFQQ-OSZJIOELSA-N 2 1 392.609 3.610 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)cc1 ZINC001204267031 1032709824 /nfs/dbraw/zinc/70/98/24/1032709824.db2.gz CZGDWVZRTRFUIN-NOZRDPDXSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 ZINC001204267031 1032709836 /nfs/dbraw/zinc/70/98/36/1032709836.db2.gz CZGDWVZRTRFUIN-NOZRDPDXSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 ZINC001204267031 1032709849 /nfs/dbraw/zinc/70/98/49/1032709849.db2.gz CZGDWVZRTRFUIN-NOZRDPDXSA-N 2 1 393.575 3.723 20 0 GHADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271103 1032715496 /nfs/dbraw/zinc/71/54/96/1032715496.db2.gz DQOMFLIKHWQLIF-FQEVSTJZSA-N 2 1 398.547 3.971 20 0 GHADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001204291059 1032733800 /nfs/dbraw/zinc/73/38/00/1032733800.db2.gz WNKUMEUNZVWXLK-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001204291059 1032733807 /nfs/dbraw/zinc/73/38/07/1032733807.db2.gz WNKUMEUNZVWXLK-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000562614500 1018400355 /nfs/dbraw/zinc/40/03/55/1018400355.db2.gz HSGGNGAQRSTPCU-FXAWDEMLSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn2cc[nH+]c12 ZINC000562614500 1018400366 /nfs/dbraw/zinc/40/03/66/1018400366.db2.gz HSGGNGAQRSTPCU-FXAWDEMLSA-N 2 1 377.492 3.675 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(Br)cc1F ZINC000564121134 1019012290 /nfs/dbraw/zinc/01/22/90/1019012290.db2.gz XSRGJBVKJSIRMA-UHFFFAOYSA-N 2 1 396.304 3.604 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000564858225 1019119689 /nfs/dbraw/zinc/11/96/89/1019119689.db2.gz ASQVIFDJBIACLS-MHXNYCPLSA-N 2 1 394.559 3.677 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC12CCOCC2 ZINC000564971041 1019132370 /nfs/dbraw/zinc/13/23/70/1019132370.db2.gz SBORPKVIFOIJIO-HXUWFJFHSA-N 2 1 384.495 3.592 20 0 GHADMP CCc1nc2c(s1)[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CCC2 ZINC000571827758 1019715252 /nfs/dbraw/zinc/71/52/52/1019715252.db2.gz SAMZHMPMGIKGRL-AZUAARDMSA-N 2 1 384.593 3.661 20 0 GHADMP c1nc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)ccc2[nH]1 ZINC000574783795 1019909620 /nfs/dbraw/zinc/90/96/20/1019909620.db2.gz UNBOSTDSEOPTBH-NRFANRHFSA-N 2 1 390.531 3.581 20 0 GHADMP c1nc2ccc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)cc2[nH]1 ZINC000574783795 1019909621 /nfs/dbraw/zinc/90/96/21/1019909621.db2.gz UNBOSTDSEOPTBH-NRFANRHFSA-N 2 1 390.531 3.581 20 0 GHADMP c1nc2ccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)cc2[nH]1 ZINC000574783795 1019909623 /nfs/dbraw/zinc/90/96/23/1019909623.db2.gz UNBOSTDSEOPTBH-NRFANRHFSA-N 2 1 390.531 3.581 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000578102301 1020327494 /nfs/dbraw/zinc/32/74/94/1020327494.db2.gz CBWDPWPSZNXPRN-NHTNDUFYSA-N 2 1 376.544 3.938 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc([C@@H]4CCC[NH2+]4)c(C)c3)c2)CC1 ZINC000629762742 1020767173 /nfs/dbraw/zinc/76/71/73/1020767173.db2.gz YBCSHBSBJGVACH-DEOSSOPVSA-N 2 1 377.532 3.751 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000191510250 1020777463 /nfs/dbraw/zinc/77/74/63/1020777463.db2.gz VSIJNTXBEOCNGY-UHFFFAOYSA-N 2 1 397.567 3.787 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000191510250 1020777471 /nfs/dbraw/zinc/77/74/71/1020777471.db2.gz VSIJNTXBEOCNGY-UHFFFAOYSA-N 2 1 397.567 3.787 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000779437802 1020788350 /nfs/dbraw/zinc/78/83/50/1020788350.db2.gz VAQQTUAPWLIHEO-AYWYSENESA-N 2 1 387.568 3.932 20 0 GHADMP Cc1c(F)cccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001204509149 1032938500 /nfs/dbraw/zinc/93/85/00/1032938500.db2.gz MDALNSUUWQQJRK-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(OC)c1OC ZINC000631585282 1020893055 /nfs/dbraw/zinc/89/30/55/1020893055.db2.gz NQSXZXXUCWLRDI-OAQYLSRUSA-N 2 1 384.520 3.777 20 0 GHADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000834578349 1021278657 /nfs/dbraw/zinc/27/86/57/1021278657.db2.gz MBWJIQOTIAAGIK-UARRHKHWSA-N 2 1 380.532 3.761 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834892346 1021631992 /nfs/dbraw/zinc/63/19/92/1021631992.db2.gz LWXPGVUGEDVVIM-KXEVLKFVSA-N 2 1 387.568 3.726 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000677583217 1021851960 /nfs/dbraw/zinc/85/19/60/1021851960.db2.gz ANKFMCCQMSZARV-GOTSBHOMSA-N 2 1 398.595 3.729 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)cc2)nn1 ZINC001137368331 1021977357 /nfs/dbraw/zinc/97/73/57/1021977357.db2.gz NLJHNULFWNHVQR-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc2)nn1 ZINC001137368331 1021977359 /nfs/dbraw/zinc/97/73/59/1021977359.db2.gz NLJHNULFWNHVQR-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc2)nn1 ZINC001137368331 1021977367 /nfs/dbraw/zinc/97/73/67/1021977367.db2.gz NLJHNULFWNHVQR-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP Brc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[C@H]2CCCO2)cc1 ZINC000679331700 1021988194 /nfs/dbraw/zinc/98/81/94/1021988194.db2.gz MVRZKJSOQVUXOB-ZMYBRWDISA-N 2 1 379.342 3.743 20 0 GHADMP Brc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@H]2CCCO2)cc1 ZINC000679331700 1021988197 /nfs/dbraw/zinc/98/81/97/1021988197.db2.gz MVRZKJSOQVUXOB-ZMYBRWDISA-N 2 1 379.342 3.743 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001204666781 1033022208 /nfs/dbraw/zinc/02/22/08/1033022208.db2.gz ZKXKAMZJIHMLRK-PMVMPFDFSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001204666781 1033022221 /nfs/dbraw/zinc/02/22/21/1033022221.db2.gz ZKXKAMZJIHMLRK-PMVMPFDFSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001204666781 1033022234 /nfs/dbraw/zinc/02/22/34/1033022234.db2.gz ZKXKAMZJIHMLRK-PMVMPFDFSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001204666781 1033022256 /nfs/dbraw/zinc/02/22/56/1033022256.db2.gz ZKXKAMZJIHMLRK-PMVMPFDFSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001140652223 1022164220 /nfs/dbraw/zinc/16/42/20/1022164220.db2.gz SBKPFDHAIKXQHT-UHFFFAOYSA-N 2 1 398.572 3.952 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001204747937 1033063365 /nfs/dbraw/zinc/06/33/65/1033063365.db2.gz AZNIVALGPQHALZ-UHFFFAOYSA-N 2 1 384.305 3.565 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc3cc[nH]cc1-3)CC2 ZINC001140802942 1022572880 /nfs/dbraw/zinc/57/28/80/1022572880.db2.gz FZZYFFCSKKYRQM-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140802942 1022572888 /nfs/dbraw/zinc/57/28/88/1022572888.db2.gz FZZYFFCSKKYRQM-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140802942 1022572896 /nfs/dbraw/zinc/57/28/96/1022572896.db2.gz FZZYFFCSKKYRQM-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802942 1022572899 /nfs/dbraw/zinc/57/28/99/1022572899.db2.gz FZZYFFCSKKYRQM-NRFANRHFSA-N 3 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802942 1022572905 /nfs/dbraw/zinc/57/29/05/1022572905.db2.gz FZZYFFCSKKYRQM-NRFANRHFSA-N 3 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1cccc(Br)c1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140970847 1023036597 /nfs/dbraw/zinc/03/65/97/1023036597.db2.gz WTTJKLRDSPOBTB-UHFFFAOYSA-N 2 1 388.353 3.833 20 0 GHADMP COc1cccc([C@H]2CSCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140975029 1023057185 /nfs/dbraw/zinc/05/71/85/1023057185.db2.gz BLFZCQHTKZHEKX-HSZRJFAPSA-N 2 1 397.588 3.737 20 0 GHADMP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001141064247 1023413371 /nfs/dbraw/zinc/41/33/71/1023413371.db2.gz TWTUGNGHLNURPH-OAQYLSRUSA-N 2 1 389.559 3.617 20 0 GHADMP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001141064247 1023413381 /nfs/dbraw/zinc/41/33/81/1023413381.db2.gz TWTUGNGHLNURPH-OAQYLSRUSA-N 2 1 389.559 3.617 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)nc1 ZINC001156636213 1033147987 /nfs/dbraw/zinc/14/79/87/1033147987.db2.gz SLOSNHMYQYTEBI-QFIPXVFZSA-N 2 1 394.563 3.753 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831146003 1024381304 /nfs/dbraw/zinc/38/13/04/1024381304.db2.gz AHUDXBDWRLVUID-RBUKOAKNSA-N 2 1 398.954 3.821 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCCCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831146003 1024381322 /nfs/dbraw/zinc/38/13/22/1024381322.db2.gz AHUDXBDWRLVUID-RBUKOAKNSA-N 2 1 398.954 3.821 20 0 GHADMP COC(=O)c1ccc2c(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001138267356 1024507568 /nfs/dbraw/zinc/50/75/68/1024507568.db2.gz ISOIGLNXGIOKSC-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1ccc2c(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001138267356 1024507577 /nfs/dbraw/zinc/50/75/77/1024507577.db2.gz ISOIGLNXGIOKSC-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1ccc2c(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001138267356 1024507593 /nfs/dbraw/zinc/50/75/93/1024507593.db2.gz ISOIGLNXGIOKSC-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522365 1024614472 /nfs/dbraw/zinc/61/44/72/1024614472.db2.gz KPJLFNBRCZTMQU-CVAIRZPRSA-N 2 1 381.923 3.651 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522365 1024614481 /nfs/dbraw/zinc/61/44/81/1024614481.db2.gz KPJLFNBRCZTMQU-CVAIRZPRSA-N 2 1 381.923 3.651 20 0 GHADMP COc1cc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001138438405 1024849320 /nfs/dbraw/zinc/84/93/20/1024849320.db2.gz DMPZEVOBMARSDB-UHFFFAOYSA-N 2 1 395.547 3.895 20 0 GHADMP Cc1c2ccccc2sc1C[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001138460408 1024886820 /nfs/dbraw/zinc/88/68/20/1024886820.db2.gz LGXMRCRLYVWYEN-UHFFFAOYSA-N 2 1 395.576 3.845 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138544053 1024987141 /nfs/dbraw/zinc/98/71/41/1024987141.db2.gz BJZLQSAMBBPFRI-OXQOHEQNSA-N 2 1 384.524 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138544053 1024987145 /nfs/dbraw/zinc/98/71/45/1024987145.db2.gz BJZLQSAMBBPFRI-OXQOHEQNSA-N 2 1 384.524 3.916 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC001141505680 1025313862 /nfs/dbraw/zinc/31/38/62/1025313862.db2.gz WWUPRGQPXGTWCA-QZTJIDSGSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC001141505680 1025313873 /nfs/dbraw/zinc/31/38/73/1025313873.db2.gz WWUPRGQPXGTWCA-QZTJIDSGSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC001141505680 1025313880 /nfs/dbraw/zinc/31/38/80/1025313880.db2.gz WWUPRGQPXGTWCA-QZTJIDSGSA-N 2 1 390.453 3.839 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3nc(C[NH3+])c4ccccc43)c2c1C ZINC001156860391 1033285857 /nfs/dbraw/zinc/28/58/57/1033285857.db2.gz IDHHWHINRZSRKC-UHFFFAOYSA-N 2 1 392.532 3.702 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCCc3ccccc3C2)c1C ZINC001141573388 1025618244 /nfs/dbraw/zinc/61/82/44/1025618244.db2.gz WZJOEZOYKAGYDK-UHFFFAOYSA-N 2 1 396.579 3.652 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1 ZINC001138960605 1025660038 /nfs/dbraw/zinc/66/00/38/1025660038.db2.gz QZLMJWHPMZDSSM-FGZHOGPDSA-N 2 1 378.516 3.874 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000839181496 1025692332 /nfs/dbraw/zinc/69/23/32/1025692332.db2.gz IVZZNKZIHBKHIN-WTGUMLROSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183210 1025695256 /nfs/dbraw/zinc/69/52/56/1025695256.db2.gz UVLVGPVNIJMLGF-RTBURBONSA-N 2 1 385.552 3.553 20 0 GHADMP C[Si](C)(C)CCOCn1ccc2c1nc[nH+]c2NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162573783 1025802742 /nfs/dbraw/zinc/80/27/42/1025802742.db2.gz UKFLKYUWXNABJN-LJQANCHMSA-N 2 1 393.583 3.637 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(NCc3ccc4c(c3)CC[NH2+]C4)c2c1C ZINC001162803440 1025922020 /nfs/dbraw/zinc/92/20/20/1025922020.db2.gz WAZXMPXJLKPTTA-UHFFFAOYSA-N 2 1 381.549 3.628 20 0 GHADMP CCc1cnc(Cl)nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162930314 1025971216 /nfs/dbraw/zinc/97/12/16/1025971216.db2.gz YRUREKYJCMARQY-IBGZPJMESA-N 2 1 399.970 3.606 20 0 GHADMP c1cc2nc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ncc2s1 ZINC001162930229 1025971481 /nfs/dbraw/zinc/97/14/81/1025971481.db2.gz WRPGGFBQBZRNPL-SFHVURJKSA-N 2 1 393.560 3.605 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1ccc3c(C4C[NH2+]C4)[nH+]cn3c1)CC21CC[NH2+]CC1 ZINC001163033977 1026016830 /nfs/dbraw/zinc/01/68/30/1026016830.db2.gz MCJIDRXHWOLBPJ-OAQYLSRUSA-N 3 1 387.531 3.508 20 0 GHADMP Cc1cccc2[nH]cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)c21 ZINC001139196145 1026036890 /nfs/dbraw/zinc/03/68/90/1026036890.db2.gz PSEMWOYNGWVNOF-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cccc2[nH]cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)c21 ZINC001139196145 1026036902 /nfs/dbraw/zinc/03/69/02/1026036902.db2.gz PSEMWOYNGWVNOF-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cccc2[nH]cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)c21 ZINC001139196145 1026036914 /nfs/dbraw/zinc/03/69/14/1026036914.db2.gz PSEMWOYNGWVNOF-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(NC[C@@H]([NH3+])c2ccc(C(=O)OC)cc2)nc1 ZINC001163468216 1026206409 /nfs/dbraw/zinc/20/64/09/1026206409.db2.gz ZFVMPSTWBUGXLI-UXHICEINSA-N 2 1 382.508 3.527 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001139361537 1026237016 /nfs/dbraw/zinc/23/70/16/1026237016.db2.gz MACKHIYGOWCOEU-DHIUTWEWSA-N 2 1 383.580 3.779 20 0 GHADMP CN1C(=O)CCC12CCC(Nc1ccc3c(c1)[nH+]cn3[C@@H]1CCC[NH2+]CC1)CC2 ZINC001163596353 1026245906 /nfs/dbraw/zinc/24/59/06/1026245906.db2.gz UDFXFJXSKNCUHU-ZUZNIGHFSA-N 2 1 395.551 3.696 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(CN(C)C)o2)C1 ZINC001141701342 1026285509 /nfs/dbraw/zinc/28/55/09/1026285509.db2.gz ASIYCBPQMFRENF-HDICACEKSA-N 2 1 383.536 3.749 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001141701342 1026285525 /nfs/dbraw/zinc/28/55/25/1026285525.db2.gz ASIYCBPQMFRENF-HDICACEKSA-N 2 1 383.536 3.749 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001141701342 1026285533 /nfs/dbraw/zinc/28/55/33/1026285533.db2.gz ASIYCBPQMFRENF-HDICACEKSA-N 2 1 383.536 3.749 20 0 GHADMP C[N@H+]1C[C@@H](CNCc2nc(C(F)(F)F)n3c2CCCC3)[C@H](c2ccccc2)C1 ZINC001202939017 1026354857 /nfs/dbraw/zinc/35/48/57/1026354857.db2.gz OGTAFAWUKNGHSY-SJORKVTESA-N 2 1 392.469 3.673 20 0 GHADMP CC1(C)CCCN(c2cc[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)n2)C1 ZINC001163908966 1026358773 /nfs/dbraw/zinc/35/87/73/1026358773.db2.gz OFCJNMUAFCUWFP-UHFFFAOYSA-N 2 1 380.540 3.577 20 0 GHADMP C[N@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)CC1CCOCC1 ZINC001139514618 1026372202 /nfs/dbraw/zinc/37/22/02/1026372202.db2.gz LSLZVWMDJFUJDS-UHFFFAOYSA-N 2 1 393.575 3.867 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3CCc4cnccc4C3)CC2)cc1 ZINC001139515579 1026373680 /nfs/dbraw/zinc/37/36/80/1026373680.db2.gz SGGPRJVIKLIFRD-UHFFFAOYSA-N 2 1 398.554 3.962 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCc4cnccc4C3)CC2)cc1 ZINC001139515579 1026373690 /nfs/dbraw/zinc/37/36/90/1026373690.db2.gz SGGPRJVIKLIFRD-UHFFFAOYSA-N 2 1 398.554 3.962 20 0 GHADMP CCOc1ccncc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001139630232 1026496786 /nfs/dbraw/zinc/49/67/86/1026496786.db2.gz UQIKQVLMVMGPHT-JOCHJYFZSA-N 2 1 395.547 3.736 20 0 GHADMP CC(C)N(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461117346 1069399106 /nfs/dbraw/zinc/39/91/06/1069399106.db2.gz VFHUZCOUZMBQPI-REWPJTCUSA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)N(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461117346 1069399122 /nfs/dbraw/zinc/39/91/22/1069399122.db2.gz VFHUZCOUZMBQPI-REWPJTCUSA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)N(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461117346 1069399135 /nfs/dbraw/zinc/39/91/35/1069399135.db2.gz VFHUZCOUZMBQPI-REWPJTCUSA-N 2 1 389.559 3.710 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc(O[C@@H]5CCOC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001164499034 1026535727 /nfs/dbraw/zinc/53/57/27/1026535727.db2.gz KQHCZTUVHBHHAE-FKVLARQCSA-N 2 1 379.504 3.572 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](CCc3ccncc3)CC2)nc1 ZINC001165060218 1026581107 /nfs/dbraw/zinc/58/11/07/1026581107.db2.gz UMJUTYORAZOICQ-HSZRJFAPSA-N 2 1 393.579 3.778 20 0 GHADMP CC(C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C[NH+]1CCCC1 ZINC001139788463 1026612532 /nfs/dbraw/zinc/61/25/32/1026612532.db2.gz RFTABWCINSHDDK-OAQYLSRUSA-N 2 1 383.580 3.527 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(C)([NH+]3CCOCC3)CC2)nc1 ZINC001165134921 1026626996 /nfs/dbraw/zinc/62/69/96/1026626996.db2.gz BCFLMWBMRHFIST-NRFANRHFSA-N 2 1 386.584 3.710 20 0 GHADMP Cc1nccn1-c1ccccc1CN1CCCn2cnc(COC(C)C)c2C1 ZINC001140024740 1026812279 /nfs/dbraw/zinc/81/22/79/1026812279.db2.gz IGRKTWDSCVBJTL-UHFFFAOYSA-N 2 1 379.508 3.708 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001140027724 1026816452 /nfs/dbraw/zinc/81/64/52/1026816452.db2.gz WWCVDGHFLPSUQA-HSZRJFAPSA-N 2 1 390.531 3.514 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001140027724 1026816466 /nfs/dbraw/zinc/81/64/66/1026816466.db2.gz WWCVDGHFLPSUQA-HSZRJFAPSA-N 2 1 390.531 3.514 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc(-c4cccnc4)c3)c2)CC1 ZINC001461149789 1069414376 /nfs/dbraw/zinc/41/43/76/1069414376.db2.gz OGSWDZLTDHIZSD-UHFFFAOYSA-N 2 1 386.543 3.786 20 0 GHADMP CN(CC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)C(=O)OC(C)(C)C ZINC001203000500 1026864221 /nfs/dbraw/zinc/86/42/21/1026864221.db2.gz BZQKMWHRQMXPKI-DOIPELPJSA-N 2 1 389.584 3.748 20 0 GHADMP CN(CC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)C(=O)OC(C)(C)C ZINC001203000500 1026864223 /nfs/dbraw/zinc/86/42/23/1026864223.db2.gz BZQKMWHRQMXPKI-DOIPELPJSA-N 2 1 389.584 3.748 20 0 GHADMP CN(CC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)C(=O)OC(C)(C)C ZINC001203000500 1026864228 /nfs/dbraw/zinc/86/42/28/1026864228.db2.gz BZQKMWHRQMXPKI-DOIPELPJSA-N 2 1 389.584 3.748 20 0 GHADMP CN(CC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)C(=O)OC(C)(C)C ZINC001203000500 1026864232 /nfs/dbraw/zinc/86/42/32/1026864232.db2.gz BZQKMWHRQMXPKI-DOIPELPJSA-N 2 1 389.584 3.748 20 0 GHADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1[nH+]ccc3c1ccn3C)C2 ZINC001166239531 1026949974 /nfs/dbraw/zinc/94/99/74/1026949974.db2.gz KJNMYQWIGYPNST-UHFFFAOYSA-N 2 1 384.487 3.699 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(C)cc1O ZINC001140200757 1026975236 /nfs/dbraw/zinc/97/52/36/1026975236.db2.gz LOBLDMWTPNLYMU-VJBWXMMDSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(C)cc1O ZINC001140200757 1026975241 /nfs/dbraw/zinc/97/52/41/1026975241.db2.gz LOBLDMWTPNLYMU-VJBWXMMDSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(C)cc1O ZINC001140200757 1026975246 /nfs/dbraw/zinc/97/52/46/1026975246.db2.gz LOBLDMWTPNLYMU-VJBWXMMDSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(C)cc1O ZINC001140200757 1026975252 /nfs/dbraw/zinc/97/52/52/1026975252.db2.gz LOBLDMWTPNLYMU-VJBWXMMDSA-N 2 1 394.563 3.581 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccccc2)CC1 ZINC001166997462 1027187540 /nfs/dbraw/zinc/18/75/40/1027187540.db2.gz SNGLBRZNTAWWCX-GBXCKJPGSA-N 2 1 391.559 3.645 20 0 GHADMP CC[N@H+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167037332 1027211256 /nfs/dbraw/zinc/21/12/56/1027211256.db2.gz BIDFKTAWHMRLGT-GCJKJVERSA-N 2 1 399.966 3.941 20 0 GHADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167037332 1027211276 /nfs/dbraw/zinc/21/12/76/1027211276.db2.gz BIDFKTAWHMRLGT-GCJKJVERSA-N 2 1 399.966 3.941 20 0 GHADMP CC[NH+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167037332 1027211286 /nfs/dbraw/zinc/21/12/86/1027211286.db2.gz BIDFKTAWHMRLGT-GCJKJVERSA-N 2 1 399.966 3.941 20 0 GHADMP CC[NH+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167037332 1027211306 /nfs/dbraw/zinc/21/13/06/1027211306.db2.gz BIDFKTAWHMRLGT-GCJKJVERSA-N 2 1 399.966 3.941 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)o1 ZINC001203292402 1027264415 /nfs/dbraw/zinc/26/44/15/1027264415.db2.gz PWHWXYXDTMAIRJ-URXFXBBRSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)o1 ZINC001203292402 1027264429 /nfs/dbraw/zinc/26/44/29/1027264429.db2.gz PWHWXYXDTMAIRJ-URXFXBBRSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)o1 ZINC001203292402 1027264441 /nfs/dbraw/zinc/26/44/41/1027264441.db2.gz PWHWXYXDTMAIRJ-URXFXBBRSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2ccccn2)o1 ZINC001203292402 1027264451 /nfs/dbraw/zinc/26/44/51/1027264451.db2.gz PWHWXYXDTMAIRJ-URXFXBBRSA-N 2 1 395.547 3.734 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccccc1F)CC2 ZINC001203347860 1027286121 /nfs/dbraw/zinc/28/61/21/1027286121.db2.gz HPOYFXFWAIQCPV-OAQYLSRUSA-N 2 1 383.511 3.724 20 0 GHADMP c1ccc(C[N@H+]2Cc3ccc(Nc4cc[nH+]c(N5CC[NH2+]CC5)c4)cc3C2)cc1 ZINC001210266599 1027413921 /nfs/dbraw/zinc/41/39/21/1027413921.db2.gz LMTMYRVIZJHWBB-UHFFFAOYSA-N 3 1 385.515 3.751 20 0 GHADMP CCOc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001203543013 1027421143 /nfs/dbraw/zinc/42/11/43/1027421143.db2.gz VZKYYFDZJNLGSK-UHFFFAOYSA-N 2 1 380.532 3.952 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c(C)c1 ZINC001203744934 1027567004 /nfs/dbraw/zinc/56/70/04/1027567004.db2.gz QBEGERKVNUMLHQ-GPXNEJASSA-N 2 1 393.579 3.578 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c(C)c1 ZINC001203744934 1027567019 /nfs/dbraw/zinc/56/70/19/1027567019.db2.gz QBEGERKVNUMLHQ-GPXNEJASSA-N 2 1 393.579 3.578 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(C)c1 ZINC001203744934 1027567031 /nfs/dbraw/zinc/56/70/31/1027567031.db2.gz QBEGERKVNUMLHQ-GPXNEJASSA-N 2 1 393.579 3.578 20 0 GHADMP Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001203748638 1027571017 /nfs/dbraw/zinc/57/10/17/1027571017.db2.gz RBNIUEXGYPKRLE-HSZRJFAPSA-N 2 1 379.548 3.954 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC001461273461 1069474320 /nfs/dbraw/zinc/47/43/20/1069474320.db2.gz FCKKAMSBRAEAQR-UHFFFAOYSA-N 2 1 383.536 3.640 20 0 GHADMP CC(C)[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001211244139 1027853355 /nfs/dbraw/zinc/85/33/55/1027853355.db2.gz DIMKPVAWYTYPQZ-UXHICEINSA-N 2 1 380.621 3.553 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001211299370 1027899305 /nfs/dbraw/zinc/89/93/05/1027899305.db2.gz ZYHKEJBRINXKDC-OAQYLSRUSA-N 2 1 398.595 3.515 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001142102275 1028099741 /nfs/dbraw/zinc/09/97/41/1028099741.db2.gz QJRULSUGDVIJAZ-LJQANCHMSA-N 2 1 385.939 3.649 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)C1 ZINC001142102275 1028099760 /nfs/dbraw/zinc/09/97/60/1028099760.db2.gz QJRULSUGDVIJAZ-LJQANCHMSA-N 2 1 385.939 3.649 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4nn(C)cc43)C[C@@H]21 ZINC001142455856 1028955989 /nfs/dbraw/zinc/95/59/89/1028955989.db2.gz ABWPTQVKZSHAQW-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2ccccn2)n1 ZINC001142455856 1028955995 /nfs/dbraw/zinc/95/59/95/1028955995.db2.gz ABWPTQVKZSHAQW-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2ccccn2)n1 ZINC001142455856 1028955998 /nfs/dbraw/zinc/95/59/98/1028955998.db2.gz ABWPTQVKZSHAQW-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2ccccn2)n1 ZINC001142455856 1028956004 /nfs/dbraw/zinc/95/60/04/1028956004.db2.gz ABWPTQVKZSHAQW-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2ccccn2)n1 ZINC001142455856 1028956006 /nfs/dbraw/zinc/95/60/06/1028956006.db2.gz ABWPTQVKZSHAQW-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000842477646 1029315378 /nfs/dbraw/zinc/31/53/78/1029315378.db2.gz CBNYCWUNNVQKDK-QFIPXVFZSA-N 2 1 384.568 3.831 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000842477646 1029315390 /nfs/dbraw/zinc/31/53/90/1029315390.db2.gz CBNYCWUNNVQKDK-QFIPXVFZSA-N 2 1 384.568 3.831 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCCCCCC[NH3+] ZINC000842477645 1029315806 /nfs/dbraw/zinc/31/58/06/1029315806.db2.gz CBNYCWUNNVQKDK-JOCHJYFZSA-N 2 1 384.568 3.831 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCCCCCC[NH3+] ZINC000842477645 1029315820 /nfs/dbraw/zinc/31/58/20/1029315820.db2.gz CBNYCWUNNVQKDK-JOCHJYFZSA-N 2 1 384.568 3.831 20 0 GHADMP C[C@@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679368 1029483975 /nfs/dbraw/zinc/48/39/75/1029483975.db2.gz LYRJAVXREZZHOI-SIKLNZKXSA-N 2 1 386.486 3.959 20 0 GHADMP C[C@@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679368 1029483984 /nfs/dbraw/zinc/48/39/84/1029483984.db2.gz LYRJAVXREZZHOI-SIKLNZKXSA-N 2 1 386.486 3.959 20 0 GHADMP Clc1ccc2ncc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n2n1 ZINC001143003363 1029771458 /nfs/dbraw/zinc/77/14/58/1029771458.db2.gz WGPLWNWPIWQCOE-RBUKOAKNSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n2n1 ZINC001143003363 1029771468 /nfs/dbraw/zinc/77/14/68/1029771468.db2.gz WGPLWNWPIWQCOE-RBUKOAKNSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)n2n1 ZINC001143003363 1029771475 /nfs/dbraw/zinc/77/14/75/1029771475.db2.gz WGPLWNWPIWQCOE-RBUKOAKNSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)n2n1 ZINC001143003363 1029771485 /nfs/dbraw/zinc/77/14/85/1029771485.db2.gz WGPLWNWPIWQCOE-RBUKOAKNSA-N 2 1 395.938 3.727 20 0 GHADMP Cc1ccc(-n2c(Cl)c(C[N@H+](C)C3CCC([NH3+])CC3)nc2N(C)C)cc1 ZINC000843055070 1029789627 /nfs/dbraw/zinc/78/96/27/1029789627.db2.gz PBRJVMGIMMJIEZ-UHFFFAOYSA-N 2 1 375.948 3.602 20 0 GHADMP Cc1ccc(-n2c(Cl)c(C[N@@H+](C)C3CCC([NH3+])CC3)nc2N(C)C)cc1 ZINC000843055070 1029789633 /nfs/dbraw/zinc/78/96/33/1029789633.db2.gz PBRJVMGIMMJIEZ-UHFFFAOYSA-N 2 1 375.948 3.602 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c(Cl)nc21 ZINC000843127720 1029817578 /nfs/dbraw/zinc/81/75/78/1029817578.db2.gz SRICXXKDIRQISX-HZPDHXFCSA-N 2 1 375.948 3.877 20 0 GHADMP COc1ccc([C@@H](O)C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)Cc2ccccc2)cc1 ZINC000843130183 1029818528 /nfs/dbraw/zinc/81/85/28/1029818528.db2.gz ZPHXUHZWHXHQCJ-CYFREDJKSA-N 2 1 382.548 3.661 20 0 GHADMP Brc1ccoc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001143126137 1029858282 /nfs/dbraw/zinc/85/82/82/1029858282.db2.gz BAINSBJVVUBSOD-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Brc1ccoc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001143126137 1029858291 /nfs/dbraw/zinc/85/82/91/1029858291.db2.gz BAINSBJVVUBSOD-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001221946497 1029902327 /nfs/dbraw/zinc/90/23/27/1029902327.db2.gz WLSBTWXEGVLFQY-GIYDNNGJSA-N 2 1 394.991 3.608 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001221946497 1029902332 /nfs/dbraw/zinc/90/23/32/1029902332.db2.gz WLSBTWXEGVLFQY-GIYDNNGJSA-N 2 1 394.991 3.608 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001222204443 1030001627 /nfs/dbraw/zinc/00/16/27/1030001627.db2.gz HIOIUKIJJNNACE-ITTUMRLJSA-N 2 1 380.621 3.554 20 0 GHADMP Cc1c(Br)cc(C[NH+]2CCC3(C[NH2+]C3)CC2)cc1Br ZINC001222209094 1030005708 /nfs/dbraw/zinc/00/57/08/1030005708.db2.gz VKDNHYJYOLWVSQ-UHFFFAOYSA-N 2 1 388.147 3.705 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1c(OCC)ccc3ccccc31)CC[NH2+]CC2 ZINC001222220761 1030013821 /nfs/dbraw/zinc/01/38/21/1030013821.db2.gz GTNQDZOSZBOMGT-NRFANRHFSA-N 2 1 396.531 3.746 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc3c(c1)Cc1ccccc1-3)CC[NH2+]CC2 ZINC001222225953 1030020995 /nfs/dbraw/zinc/02/09/95/1030020995.db2.gz KSYWAPNBKFFZJN-HSZRJFAPSA-N 2 1 390.527 3.765 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001143326214 1030035479 /nfs/dbraw/zinc/03/54/79/1030035479.db2.gz GLOSGFJLXWYRSG-QHCPKHFHSA-N 2 1 397.538 3.900 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001143326214 1030035498 /nfs/dbraw/zinc/03/54/98/1030035498.db2.gz GLOSGFJLXWYRSG-QHCPKHFHSA-N 2 1 397.538 3.900 20 0 GHADMP Brc1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc2ccccc12 ZINC001222415254 1030117580 /nfs/dbraw/zinc/11/75/80/1030117580.db2.gz UUMKCOYZQWUDQA-UHFFFAOYSA-N 2 1 389.337 3.804 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(Cl)c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502594 1030171200 /nfs/dbraw/zinc/17/12/00/1030171200.db2.gz NFZOVCYSRKLDJW-KBPBESRZSA-N 2 1 382.257 3.538 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222502256 1030171584 /nfs/dbraw/zinc/17/15/84/1030171584.db2.gz HODLZBLAEJWKNR-SFTDATJTSA-N 2 1 389.465 3.898 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222502256 1030171592 /nfs/dbraw/zinc/17/15/92/1030171592.db2.gz HODLZBLAEJWKNR-SFTDATJTSA-N 2 1 389.465 3.898 20 0 GHADMP CCCn1ncc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222583583 1030212469 /nfs/dbraw/zinc/21/24/69/1030212469.db2.gz PLPYNRAHZBWXQD-QHCPKHFHSA-N 2 1 396.579 3.905 20 0 GHADMP CCCn1ncc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222583583 1030212474 /nfs/dbraw/zinc/21/24/74/1030212474.db2.gz PLPYNRAHZBWXQD-QHCPKHFHSA-N 2 1 396.579 3.905 20 0 GHADMP FC(F)(F)[C@H]1N(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC12CC[NH2+]CC2 ZINC001222642121 1030254479 /nfs/dbraw/zinc/25/44/79/1030254479.db2.gz FTKUNCTXRCJOSS-UXHICEINSA-N 2 1 395.513 3.905 20 0 GHADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC001222652574 1030262983 /nfs/dbraw/zinc/26/29/83/1030262983.db2.gz XZAXTZLYOJVRTC-UXHICEINSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001150755949 1030643237 /nfs/dbraw/zinc/64/32/37/1030643237.db2.gz YYZJOKWPPACMRL-WMZOPIPTSA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCO[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001217850551 1030662309 /nfs/dbraw/zinc/66/23/09/1030662309.db2.gz UFAQGEAYNRCFAD-VQTJNVASSA-N 2 1 390.568 3.753 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCO[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001217850551 1030662317 /nfs/dbraw/zinc/66/23/17/1030662317.db2.gz UFAQGEAYNRCFAD-VQTJNVASSA-N 2 1 390.568 3.753 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCc2ccc3c(c2)CC[NH2+]C3)O1 ZINC001217912519 1030670608 /nfs/dbraw/zinc/67/06/08/1030670608.db2.gz UXUCTZMEVGYLKP-HSZRJFAPSA-N 2 1 380.532 3.529 20 0 GHADMP CCc1nccn1[C@H](C)CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360418 1030875332 /nfs/dbraw/zinc/87/53/32/1030875332.db2.gz YNJIMSHXDMCKEW-CTNGQTDRSA-N 2 1 382.552 3.958 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001151360418 1030875353 /nfs/dbraw/zinc/87/53/53/1030875353.db2.gz YNJIMSHXDMCKEW-CTNGQTDRSA-N 2 1 382.552 3.958 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360418 1030875368 /nfs/dbraw/zinc/87/53/68/1030875368.db2.gz YNJIMSHXDMCKEW-CTNGQTDRSA-N 2 1 382.552 3.958 20 0 GHADMP C[N@H+]1CCc2cc(Cl)c(O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)cc2[C@@H](c2ccccc2)C1 ZINC001218329799 1030896579 /nfs/dbraw/zinc/89/65/79/1030896579.db2.gz GHYFFBKNFJDVHU-UGGKCQTMSA-N 2 1 382.935 3.947 20 0 GHADMP Cc1c(OC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)ccc2c1CC[NH2+]C2 ZINC001218396053 1030918922 /nfs/dbraw/zinc/91/89/22/1030918922.db2.gz ZLKXNPUGWUQGMP-OAQYLSRUSA-N 2 1 380.532 3.699 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001225131224 1031272842 /nfs/dbraw/zinc/27/28/42/1031272842.db2.gz ROCKYNFDHVWJNE-NRFANRHFSA-N 2 1 386.584 3.735 20 0 GHADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001219941417 1031707963 /nfs/dbraw/zinc/70/79/63/1031707963.db2.gz XSVXHMXKNMPALJ-IBAPCRFNSA-N 2 1 395.591 3.559 20 0 GHADMP [NH3+][C@@H](CSc1ccccc1)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940984 1031708629 /nfs/dbraw/zinc/70/86/29/1031708629.db2.gz JZAQZSWZLOMFEL-NHCUHLMSSA-N 2 1 397.588 3.525 20 0 GHADMP CC[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001153911926 1031811095 /nfs/dbraw/zinc/81/10/95/1031811095.db2.gz WZYDSISRPZAOBK-PKTZIBPZSA-N 2 1 379.548 3.802 20 0 GHADMP Cc1ccc(NCCNC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)[nH+]c1 ZINC001220472688 1031954862 /nfs/dbraw/zinc/95/48/62/1031954862.db2.gz HUJKNPNNFJHWRH-UHFFFAOYSA-N 2 1 395.551 3.533 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1(C)C ZINC001220552806 1031988250 /nfs/dbraw/zinc/98/82/50/1031988250.db2.gz XFMRPHPZRYHLBN-LJQANCHMSA-N 2 1 392.975 3.603 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(C)[C@]3(C)CCC[NH2+]C3)c2c1C ZINC001156976556 1033351844 /nfs/dbraw/zinc/35/18/44/1033351844.db2.gz JJBUTDOZRXKZIT-OAQYLSRUSA-N 2 1 387.597 3.872 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C1 ZINC001157019454 1033372470 /nfs/dbraw/zinc/37/24/70/1033372470.db2.gz CBNOMZQWZXVXGX-INIZCTEOSA-N 2 1 384.902 3.576 20 0 GHADMP Cc1nn2c(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)c(C(C)C)nc2s1 ZINC001205385427 1033387478 /nfs/dbraw/zinc/38/74/78/1033387478.db2.gz GAVHXOORARIVDX-GDBMZVCRSA-N 2 1 375.586 3.965 20 0 GHADMP Cc1nn2c(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)c(C(C)C)nc2s1 ZINC001205385427 1033387495 /nfs/dbraw/zinc/38/74/95/1033387495.db2.gz GAVHXOORARIVDX-GDBMZVCRSA-N 2 1 375.586 3.965 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC1 ZINC001205592714 1033484371 /nfs/dbraw/zinc/48/43/71/1033484371.db2.gz XITMMHXZEDNFBP-JOCHJYFZSA-N 2 1 386.467 3.647 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157269385 1033503451 /nfs/dbraw/zinc/50/34/51/1033503451.db2.gz BEQDOVQFXFOOJN-IAGOWNOFSA-N 2 1 387.597 3.680 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157269385 1033503461 /nfs/dbraw/zinc/50/34/61/1033503461.db2.gz BEQDOVQFXFOOJN-IAGOWNOFSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)cc1I ZINC001205703124 1033537792 /nfs/dbraw/zinc/53/77/92/1033537792.db2.gz WOTFKPJVSGWHFA-QAPCUYQASA-N 2 1 398.332 3.824 20 0 GHADMP Brc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001206111774 1033725066 /nfs/dbraw/zinc/72/50/66/1033725066.db2.gz OJMZLDMDJNXJBW-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Cc1nc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC001206158411 1033745781 /nfs/dbraw/zinc/74/57/81/1033745781.db2.gz IEPLXBZCEAGEDV-QGZVFWFLSA-N 2 1 375.538 3.608 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1C ZINC001206326296 1033798408 /nfs/dbraw/zinc/79/84/08/1033798408.db2.gz MMKLTESUWXDQCY-KRWDZBQOSA-N 2 1 386.321 3.859 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001229931906 1033799056 /nfs/dbraw/zinc/79/90/56/1033799056.db2.gz XFWYHLDVFUWMHK-HQRMLTQVSA-N 2 1 394.991 3.547 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001229931906 1033799073 /nfs/dbraw/zinc/79/90/73/1033799073.db2.gz XFWYHLDVFUWMHK-HQRMLTQVSA-N 2 1 394.991 3.547 20 0 GHADMP CC(C)n1c2ccccc2c(-c2ccc(F)cc2)c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206481225 1033864979 /nfs/dbraw/zinc/86/49/79/1033864979.db2.gz PTDUXEKATFZZLD-HTAPYJJXSA-N 2 1 381.495 3.780 20 0 GHADMP CCOc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1OC(=O)C(C)C ZINC001206589557 1033917768 /nfs/dbraw/zinc/91/77/68/1033917768.db2.gz IAHVHOQFYBYSQH-LJQANCHMSA-N 2 1 376.541 3.999 20 0 GHADMP CC(C)[N@H+](Cc1cccc(I)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206598753 1033919173 /nfs/dbraw/zinc/91/91/73/1033919173.db2.gz MIJLNXXLKCNBIQ-AWEZNQCLSA-N 2 1 390.284 3.783 20 0 GHADMP CC(C)[N@@H+](Cc1cccc(I)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206598753 1033919177 /nfs/dbraw/zinc/91/91/77/1033919177.db2.gz MIJLNXXLKCNBIQ-AWEZNQCLSA-N 2 1 390.284 3.783 20 0 GHADMP COc1cccc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206727584 1033959200 /nfs/dbraw/zinc/95/92/00/1033959200.db2.gz IABUTGGITZQOLU-QHCPKHFHSA-N 2 1 380.532 3.907 20 0 GHADMP COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206727584 1033959209 /nfs/dbraw/zinc/95/92/09/1033959209.db2.gz IABUTGGITZQOLU-QHCPKHFHSA-N 2 1 380.532 3.907 20 0 GHADMP CCN(c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21)[C@@H]1CCC[NH2+]C1 ZINC001158204466 1033962665 /nfs/dbraw/zinc/96/26/65/1033962665.db2.gz GVHOBYMXAXXXHU-QGZVFWFLSA-N 2 1 387.597 3.872 20 0 GHADMP C[C@H]([NH3+])c1ccn(-c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001158356760 1034041244 /nfs/dbraw/zinc/04/12/44/1034041244.db2.gz UMLAWGNOIIHACU-ZDUSSCGKSA-N 2 1 378.505 3.625 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)nc1 ZINC001158589157 1034181939 /nfs/dbraw/zinc/18/19/39/1034181939.db2.gz MGYKSANCZVRDJD-QHCPKHFHSA-N 3 1 399.627 3.671 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001207293948 1034247694 /nfs/dbraw/zinc/24/76/94/1034247694.db2.gz DCPKMOLBECMYML-QHCPKHFHSA-N 2 1 395.547 3.846 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(-n4ccc(C[NH3+])c4)c23)C1 ZINC001158766683 1034265132 /nfs/dbraw/zinc/26/51/32/1034265132.db2.gz DNWUZWOMRYOWAX-CQSZACIVSA-N 2 1 381.549 3.661 20 0 GHADMP O=C(CCC[NH+]1CCN(c2cc(N3CCCC3)cc[nH+]2)CC1)c1ccc(F)cc1 ZINC001158813466 1034282708 /nfs/dbraw/zinc/28/27/08/1034282708.db2.gz IATWUQDCEPNYNN-UHFFFAOYSA-N 2 1 396.510 3.606 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC001207353805 1034298880 /nfs/dbraw/zinc/29/88/80/1034298880.db2.gz HUOBALWWUITINT-RTBURBONSA-N 2 1 376.541 3.540 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207395230 1034339723 /nfs/dbraw/zinc/33/97/23/1034339723.db2.gz RAZKILFSEUQETJ-HXUWFJFHSA-N 2 1 379.589 3.830 20 0 GHADMP Clc1cccc(CC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207423255 1034358481 /nfs/dbraw/zinc/35/84/81/1034358481.db2.gz FWFHQOXOQKMDSS-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1cccc(CC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207423255 1034358492 /nfs/dbraw/zinc/35/84/92/1034358492.db2.gz FWFHQOXOQKMDSS-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1cccc(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207423255 1034358507 /nfs/dbraw/zinc/35/85/07/1034358507.db2.gz FWFHQOXOQKMDSS-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@@H+](CC1CC[NH2+]CC1)C[C@H]2c1ccccc1 ZINC001207435588 1034368940 /nfs/dbraw/zinc/36/89/40/1034368940.db2.gz QNZBHFYUUDQETJ-JTHBVZDNSA-N 2 1 395.572 3.570 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@]23CCCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207481697 1034391584 /nfs/dbraw/zinc/39/15/84/1034391584.db2.gz MUEKPFAADGQCHQ-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CCCc1ccccc1F)CC2 ZINC001207491395 1034395938 /nfs/dbraw/zinc/39/59/38/1034395938.db2.gz MOCVEUSRVQJFTH-JOCHJYFZSA-N 2 1 397.538 3.909 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001159052361 1034403059 /nfs/dbraw/zinc/40/30/59/1034403059.db2.gz UPKPUGOTRHHKEK-XNXNWCFHSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001159052361 1034403070 /nfs/dbraw/zinc/40/30/70/1034403070.db2.gz UPKPUGOTRHHKEK-XNXNWCFHSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001159052361 1034403081 /nfs/dbraw/zinc/40/30/81/1034403081.db2.gz UPKPUGOTRHHKEK-XNXNWCFHSA-N 2 1 383.580 3.665 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770289 1034567601 /nfs/dbraw/zinc/56/76/01/1034567601.db2.gz SZBGTKNLIQWLCG-FGZHOGPDSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770289 1034567610 /nfs/dbraw/zinc/56/76/10/1034567610.db2.gz SZBGTKNLIQWLCG-FGZHOGPDSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770289 1034567619 /nfs/dbraw/zinc/56/76/19/1034567619.db2.gz SZBGTKNLIQWLCG-FGZHOGPDSA-N 2 1 399.579 3.697 20 0 GHADMP O=C(c1ccc(Nc2ccc([NH+]3CCCCCC3)cc2)cc1)N1CC[NH2+]CC1 ZINC001159541976 1034652470 /nfs/dbraw/zinc/65/24/70/1034652470.db2.gz GXOZYERJGNETPT-UHFFFAOYSA-N 2 1 378.520 3.856 20 0 GHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OCCCOC)c(OC)c2)CC1 ZINC001231546191 1034700747 /nfs/dbraw/zinc/70/07/47/1034700747.db2.gz QYMOGBPYTDINHE-UHFFFAOYSA-N 2 1 378.557 3.807 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCCCOC)c(OC)c2)CC1 ZINC001231546191 1034700759 /nfs/dbraw/zinc/70/07/59/1034700759.db2.gz QYMOGBPYTDINHE-UHFFFAOYSA-N 2 1 378.557 3.807 20 0 GHADMP COC(C)(C)CCC[C@@H](C)CC[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001208204246 1034794386 /nfs/dbraw/zinc/79/43/86/1034794386.db2.gz BAKOCTRYGJCBJQ-HXUWFJFHSA-N 2 1 390.616 3.959 20 0 GHADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231652676 1034810082 /nfs/dbraw/zinc/81/00/82/1034810082.db2.gz HYOBUMBWKIWWNA-ILWGZMRPSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231652676 1034810096 /nfs/dbraw/zinc/81/00/96/1034810096.db2.gz HYOBUMBWKIWWNA-ILWGZMRPSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231652676 1034810108 /nfs/dbraw/zinc/81/01/08/1034810108.db2.gz HYOBUMBWKIWWNA-ILWGZMRPSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231652676 1034810118 /nfs/dbraw/zinc/81/01/18/1034810118.db2.gz HYOBUMBWKIWWNA-ILWGZMRPSA-N 2 1 380.536 3.608 20 0 GHADMP c1ccc(OCC2CC[NH2+]CC2)c(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001160187729 1034894781 /nfs/dbraw/zinc/89/47/81/1034894781.db2.gz RCHAIISEGSVSMV-UHFFFAOYSA-N 2 1 381.520 3.641 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(OC(F)(F)C(F)F)cc1)CC2 ZINC001231826451 1034931914 /nfs/dbraw/zinc/93/19/14/1034931914.db2.gz OCGUBNQOWNZQHH-UHFFFAOYSA-N 2 1 389.393 3.553 20 0 GHADMP COC1CC[NH+](C2CCN(C[C@H]3CCCC[N@H+]3Cc3ccccc3)CC2)CC1 ZINC001208592697 1034947744 /nfs/dbraw/zinc/94/77/44/1034947744.db2.gz YMKNDOSSJDRHIA-HSZRJFAPSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccccc1C(C)C)CCC2 ZINC001231874949 1034960279 /nfs/dbraw/zinc/96/02/79/1034960279.db2.gz AIWOKZFPBAGGKH-UHFFFAOYSA-N 2 1 382.552 3.614 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccccc1C(C)C)CCC2 ZINC001231874949 1034960283 /nfs/dbraw/zinc/96/02/83/1034960283.db2.gz AIWOKZFPBAGGKH-UHFFFAOYSA-N 2 1 382.552 3.614 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001208631534 1034960602 /nfs/dbraw/zinc/96/06/02/1034960602.db2.gz XOZPZDWEVLFBHC-HZCBDIJESA-N 2 1 384.564 3.954 20 0 GHADMP CCOC(=O)c1c[nH]c2cc(Nc3ccc(C[NH3+])cc3C(F)(F)F)[nH+]cc21 ZINC001160423693 1034969488 /nfs/dbraw/zinc/96/94/88/1034969488.db2.gz PVUJRYCXZGJGCM-UHFFFAOYSA-N 2 1 378.354 3.961 20 0 GHADMP Cc1ccc(-c2nnc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)c3ccccc32)cc1C ZINC001160520302 1034993257 /nfs/dbraw/zinc/99/32/57/1034993257.db2.gz QYLFINXDNFIBEX-XMMPIXPASA-N 2 1 387.531 3.749 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001208758707 1035003113 /nfs/dbraw/zinc/00/31/13/1035003113.db2.gz OJGATESEPDVSNT-VXKWHMMOSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001208758707 1035003125 /nfs/dbraw/zinc/00/31/25/1035003125.db2.gz OJGATESEPDVSNT-VXKWHMMOSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001208758707 1035003136 /nfs/dbraw/zinc/00/31/36/1035003136.db2.gz OJGATESEPDVSNT-VXKWHMMOSA-N 2 1 380.532 3.700 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H](F)C3)CC2)cc1 ZINC001208815228 1035036369 /nfs/dbraw/zinc/03/63/69/1035036369.db2.gz LHAQFRFFYDXYIH-HXUWFJFHSA-N 2 1 376.516 3.898 20 0 GHADMP COC[C@H]1CC[N@H+]1CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208819484 1035038442 /nfs/dbraw/zinc/03/84/42/1035038442.db2.gz GUGYZEKZEAELKZ-OAQYLSRUSA-N 2 1 388.552 3.575 20 0 GHADMP Fc1cccnc1OC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015259 1035045508 /nfs/dbraw/zinc/04/55/08/1035045508.db2.gz RXORATQJIARHJB-IRLDBZIGSA-N 2 1 396.466 3.547 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2CCN(Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232017064 1035047175 /nfs/dbraw/zinc/04/71/75/1035047175.db2.gz KDCDKDDKURGXBO-UHFFFAOYSA-N 2 1 390.409 3.779 20 0 GHADMP COc1cccc(C[NH+]2CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208938385 1035106166 /nfs/dbraw/zinc/10/61/66/1035106166.db2.gz BPEQGLUCTXAPJF-DEOSSOPVSA-N 2 1 393.575 3.725 20 0 GHADMP COc1cccc(C[NH+]2CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208938385 1035106169 /nfs/dbraw/zinc/10/61/69/1035106169.db2.gz BPEQGLUCTXAPJF-DEOSSOPVSA-N 2 1 393.575 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208940403 1035110218 /nfs/dbraw/zinc/11/02/18/1035110218.db2.gz CQTURUKNWVKZRP-NHCUHLMSSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940403 1035110221 /nfs/dbraw/zinc/11/02/21/1035110221.db2.gz CQTURUKNWVKZRP-NHCUHLMSSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940403 1035110224 /nfs/dbraw/zinc/11/02/24/1035110224.db2.gz CQTURUKNWVKZRP-NHCUHLMSSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941777 1035111737 /nfs/dbraw/zinc/11/17/37/1035111737.db2.gz NAZMSMZXYBLCDH-TZIWHRDSSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941777 1035111744 /nfs/dbraw/zinc/11/17/44/1035111744.db2.gz NAZMSMZXYBLCDH-TZIWHRDSSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941777 1035111754 /nfs/dbraw/zinc/11/17/54/1035111754.db2.gz NAZMSMZXYBLCDH-TZIWHRDSSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941777 1035111763 /nfs/dbraw/zinc/11/17/63/1035111763.db2.gz NAZMSMZXYBLCDH-TZIWHRDSSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208942979 1035113085 /nfs/dbraw/zinc/11/30/85/1035113085.db2.gz KKVKZYBQFXZHQY-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208942979 1035113091 /nfs/dbraw/zinc/11/30/91/1035113091.db2.gz KKVKZYBQFXZHQY-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208942979 1035113097 /nfs/dbraw/zinc/11/30/97/1035113097.db2.gz KKVKZYBQFXZHQY-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001208945349 1035114724 /nfs/dbraw/zinc/11/47/24/1035114724.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 2 1 379.548 3.759 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001208945349 1035114731 /nfs/dbraw/zinc/11/47/31/1035114731.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 2 1 379.548 3.759 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001208945349 1035114736 /nfs/dbraw/zinc/11/47/36/1035114736.db2.gz NAZJMSKGTPRQSC-QTJGBDASSA-N 2 1 379.548 3.759 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208944524 1035115883 /nfs/dbraw/zinc/11/58/83/1035115883.db2.gz XMUQTIVJPZCWQW-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208944524 1035115889 /nfs/dbraw/zinc/11/58/89/1035115889.db2.gz XMUQTIVJPZCWQW-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208944524 1035115892 /nfs/dbraw/zinc/11/58/92/1035115892.db2.gz XMUQTIVJPZCWQW-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP c1csc(C[NH+]2CC[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125749 /nfs/dbraw/zinc/12/57/49/1035125749.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(C[N@H+]2CC[C@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125752 /nfs/dbraw/zinc/12/57/52/1035125752.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(C[N@@H+]2CC[C@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125754 /nfs/dbraw/zinc/12/57/54/1035125754.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@H]3C[NH+](C[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125757 /nfs/dbraw/zinc/12/57/57/1035125757.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@H]3C[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125759 /nfs/dbraw/zinc/12/57/59/1035125759.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@H]3C[N@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125762 /nfs/dbraw/zinc/12/57/62/1035125762.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2CC[C@H]3C[N@@H+](C[C@H]4CC[NH+](Cc5ccccc5)C4)CC[C@@H]32)n1 ZINC001208953145 1035125765 /nfs/dbraw/zinc/12/57/65/1035125765.db2.gz YSIWXDZVESOBBQ-FKBYEOEOSA-N 2 1 396.604 3.561 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953838 1035126944 /nfs/dbraw/zinc/12/69/44/1035126944.db2.gz RQHOCLLWCWFKMJ-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953838 1035126947 /nfs/dbraw/zinc/12/69/47/1035126947.db2.gz RQHOCLLWCWFKMJ-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208953838 1035126954 /nfs/dbraw/zinc/12/69/54/1035126954.db2.gz RQHOCLLWCWFKMJ-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208953838 1035126957 /nfs/dbraw/zinc/12/69/57/1035126957.db2.gz RQHOCLLWCWFKMJ-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP CO[C@H](C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001208960308 1035131094 /nfs/dbraw/zinc/13/10/94/1035131094.db2.gz VRLFRNPDLLGTMA-UKILVPOCSA-N 2 1 393.575 3.514 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(NC2(Cc3ccccn3)CC[NH2+]CC2)nc1 ZINC001161496267 1035241383 /nfs/dbraw/zinc/24/13/83/1035241383.db2.gz FTMLLGDYJCMVEG-NRFANRHFSA-N 2 1 379.552 3.800 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC001209451327 1035277365 /nfs/dbraw/zinc/27/73/65/1035277365.db2.gz HQLLYOQLTDCXTL-HXUWFJFHSA-N 2 1 391.625 3.679 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451327 1035277367 /nfs/dbraw/zinc/27/73/67/1035277367.db2.gz HQLLYOQLTDCXTL-HXUWFJFHSA-N 3 1 391.625 3.679 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451327 1035277371 /nfs/dbraw/zinc/27/73/71/1035277371.db2.gz HQLLYOQLTDCXTL-HXUWFJFHSA-N 3 1 391.625 3.679 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc(F)c1O ZINC001209538603 1035308493 /nfs/dbraw/zinc/30/84/93/1035308493.db2.gz WMCYSECCKFJDKG-PMACEKPBSA-N 2 1 384.495 3.884 20 0 GHADMP Fc1cc(-c2noc(CCC3CC[NH2+]CC3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001248246683 1035693413 /nfs/dbraw/zinc/69/34/13/1035693413.db2.gz GGYAAAFGQQGQKN-LJQANCHMSA-N 2 1 381.455 3.540 20 0 GHADMP C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462012529 1069944504 /nfs/dbraw/zinc/94/45/04/1069944504.db2.gz JBSHNJCYMQQORM-KNQAVFIVSA-N 2 1 393.531 3.508 20 0 GHADMP C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462012529 1069944508 /nfs/dbraw/zinc/94/45/08/1069944508.db2.gz JBSHNJCYMQQORM-KNQAVFIVSA-N 2 1 393.531 3.508 20 0 GHADMP [NH3+][C@H]1CCCC[C@@H]1OCc1ccccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241819043 1035712138 /nfs/dbraw/zinc/71/21/38/1035712138.db2.gz JWKNRHLYXJHQAW-ZEQRLZLVSA-N 2 1 380.532 3.972 20 0 GHADMP COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001244158641 1036401788 /nfs/dbraw/zinc/40/17/88/1036401788.db2.gz MHXPICKTXWCFMN-JOCHJYFZSA-N 2 1 380.536 3.666 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)C1 ZINC001462117551 1070006862 /nfs/dbraw/zinc/00/68/62/1070006862.db2.gz RJCSDTLMTVLKPQ-NFBKMPQASA-N 2 1 389.559 3.760 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001462117551 1070006878 /nfs/dbraw/zinc/00/68/78/1070006878.db2.gz RJCSDTLMTVLKPQ-NFBKMPQASA-N 2 1 389.559 3.760 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001462117551 1070006897 /nfs/dbraw/zinc/00/68/97/1070006897.db2.gz RJCSDTLMTVLKPQ-NFBKMPQASA-N 2 1 389.559 3.760 20 0 GHADMP c1cc(C2=CC[C@H]([NH+]3CCOCC3)CC2)cc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc12 ZINC001245427508 1036920042 /nfs/dbraw/zinc/92/00/42/1036920042.db2.gz QHLZIUDPMPWLCG-WEMPKCCASA-N 2 1 378.520 3.644 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246006464 1037125924 /nfs/dbraw/zinc/12/59/24/1037125924.db2.gz WOCMFSURKLYOPK-VQIMIIECSA-N 2 1 388.930 3.884 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc3ccccc32)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC001246046831 1037160695 /nfs/dbraw/zinc/16/06/95/1037160695.db2.gz RAWKQHJAFATGCY-VWLOTQADSA-N 2 1 390.527 3.965 20 0 GHADMP O[C@@]1(C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN(Cc2ccccc2)C1 ZINC001246067681 1037180062 /nfs/dbraw/zinc/18/00/62/1037180062.db2.gz UTFILEBZXDTAKV-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH+](Cc2ccccc2)C1 ZINC001246067681 1037180091 /nfs/dbraw/zinc/18/00/91/1037180091.db2.gz UTFILEBZXDTAKV-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH+](Cc2ccccc2)C1 ZINC001246067681 1037180105 /nfs/dbraw/zinc/18/01/05/1037180105.db2.gz UTFILEBZXDTAKV-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC001246067681 1037180123 /nfs/dbraw/zinc/18/01/23/1037180123.db2.gz UTFILEBZXDTAKV-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001246067681 1037180133 /nfs/dbraw/zinc/18/01/33/1037180133.db2.gz UTFILEBZXDTAKV-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP Cc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246066733 1037180600 /nfs/dbraw/zinc/18/06/00/1037180600.db2.gz MEOGOSWBQNQFTH-WXFUMESZSA-N 2 1 382.548 3.645 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1 ZINC001246070709 1037185641 /nfs/dbraw/zinc/18/56/41/1037185641.db2.gz UUIYJSRXWUZOOJ-NRFANRHFSA-N 2 1 388.939 3.642 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1 ZINC001246070709 1037185652 /nfs/dbraw/zinc/18/56/52/1037185652.db2.gz UUIYJSRXWUZOOJ-NRFANRHFSA-N 2 1 388.939 3.642 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H](O)COc2ccc(F)cc2F)C2CCCCC2)CC1 ZINC001246071535 1037185812 /nfs/dbraw/zinc/18/58/12/1037185812.db2.gz SZNIZKGMHXTXNW-WDSOQIARSA-N 2 1 382.495 3.609 20 0 GHADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246274101 1037271632 /nfs/dbraw/zinc/27/16/32/1037271632.db2.gz RZGVQXWTMJIPCU-MOPGFXCFSA-N 2 1 389.337 3.911 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCN1 ZINC001246331113 1037298479 /nfs/dbraw/zinc/29/84/79/1037298479.db2.gz HRUZXRIKVNIYDT-UNMCSNQZSA-N 2 1 385.527 3.657 20 0 GHADMP CC(C)[C@H]1C[C@@H](n2cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc32)CC[NH2+]1 ZINC001246348592 1037308193 /nfs/dbraw/zinc/30/81/93/1037308193.db2.gz CVXZYVGVTKPBFI-YSIASYRMSA-N 2 1 385.552 3.802 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Br)CC2)C[C@H](C)[NH2+]1 ZINC001246363668 1037322324 /nfs/dbraw/zinc/32/23/24/1037322324.db2.gz FUDPHGFPHDNGQD-HGKCTWBKSA-N 2 1 394.401 3.780 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC001246369914 1037329366 /nfs/dbraw/zinc/32/93/66/1037329366.db2.gz VXUMSNNEZNYBJY-SFHVURJKSA-N 2 1 394.401 3.781 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1cccc(Br)c1 ZINC001246376159 1037331798 /nfs/dbraw/zinc/33/17/98/1037331798.db2.gz MNPKECITXILNMC-ZACQAIPSSA-N 2 1 397.357 3.810 20 0 GHADMP COc1cccc(CC2(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246374637 1037332614 /nfs/dbraw/zinc/33/26/14/1037332614.db2.gz GGNUFRHUOXZRNP-NZQKXSOJSA-N 2 1 393.575 3.613 20 0 GHADMP COc1cccc(CC2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC[NH2+]CC2)c1 ZINC001246381752 1037340759 /nfs/dbraw/zinc/34/07/59/1037340759.db2.gz VIJKBSYKZKALSO-NRFANRHFSA-N 3 1 385.596 3.604 20 0 GHADMP COc1cccc(CC2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]CC2)c1 ZINC001246381752 1037340780 /nfs/dbraw/zinc/34/07/80/1037340780.db2.gz VIJKBSYKZKALSO-NRFANRHFSA-N 3 1 385.596 3.604 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246398002 1037356310 /nfs/dbraw/zinc/35/63/10/1037356310.db2.gz URDLLFLBPLEQCI-GMAHTHKFSA-N 3 1 399.529 3.977 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246428781 1037388039 /nfs/dbraw/zinc/38/80/39/1037388039.db2.gz JKQDIZZHADVYLZ-IBGZPJMESA-N 2 1 383.502 3.692 20 0 GHADMP CN1CCC[C@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246428781 1037388057 /nfs/dbraw/zinc/38/80/57/1037388057.db2.gz JKQDIZZHADVYLZ-IBGZPJMESA-N 2 1 383.502 3.692 20 0 GHADMP Cc1cccc2c1CC[C@@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1)C2 ZINC001246486835 1037433132 /nfs/dbraw/zinc/43/31/32/1037433132.db2.gz PVVUNJWTFALQLT-FYYLOGMGSA-N 2 1 380.532 3.683 20 0 GHADMP C[NH2+]CC[C@@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC001246489958 1037434468 /nfs/dbraw/zinc/43/44/68/1037434468.db2.gz ZVHLZSQLLABSSP-HXOBKFHXSA-N 2 1 391.515 3.683 20 0 GHADMP [NH3+]C[C@@]1(O)CCC[N@H+](C2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001246545256 1037474156 /nfs/dbraw/zinc/47/41/56/1037474156.db2.gz VKDHKYJSSSHGKU-NKELODKYSA-N 2 1 381.358 3.651 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC2 ZINC001246586875 1037489171 /nfs/dbraw/zinc/48/91/71/1037489171.db2.gz PJINBBLLXJFBSF-ZEQRLZLVSA-N 2 1 392.543 3.514 20 0 GHADMP COc1cc(C[C@H](C)[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc(OC)c1OC ZINC001246610155 1037502897 /nfs/dbraw/zinc/50/28/97/1037502897.db2.gz PUQJZWPMWUROSJ-FDDCHVKYSA-N 2 1 390.568 3.889 20 0 GHADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CCOCC4(CC[NH2+]CC4)C3)ccc2c1 ZINC001246615810 1037506491 /nfs/dbraw/zinc/50/64/91/1037506491.db2.gz SRAAYACQDAOALN-LJQANCHMSA-N 2 1 382.548 3.872 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3c(C)cccc3C1)CC2 ZINC001246632183 1037518866 /nfs/dbraw/zinc/51/88/66/1037518866.db2.gz UPDIZLMRTLIUNK-OAQYLSRUSA-N 2 1 376.544 3.998 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+](C3CCC4(CCc5ccccc54)CC3)C[C@@H]1CC[NH2+]CC2 ZINC001246683754 1037545817 /nfs/dbraw/zinc/54/58/17/1037545817.db2.gz SRDUKONKVJQCKM-GKNBJYPNSA-N 2 1 396.575 3.678 20 0 GHADMP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2C1CCC2(CCC[NH2+]C2)CC1)C1CCCC1 ZINC001246695801 1037553887 /nfs/dbraw/zinc/55/38/87/1037553887.db2.gz QKUYJDIVEQVLQG-PUINSQEDSA-N 2 1 376.585 3.737 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246702886 1037555759 /nfs/dbraw/zinc/55/57/59/1037555759.db2.gz UHTQWNUYMYODML-ROUUACIJSA-N 2 1 380.374 3.738 20 0 GHADMP O=C1C[C@]2(CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)CN1c1ccc(F)cc1 ZINC001246714945 1037567937 /nfs/dbraw/zinc/56/79/37/1037567937.db2.gz NHPNXXJFLZYTGM-QHCPKHFHSA-N 2 1 385.527 3.567 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2CCC[C@]4(CC[NH2+]C4)C2)CCO3)c1 ZINC001246721758 1037573278 /nfs/dbraw/zinc/57/32/78/1037573278.db2.gz RGQGZZVMNDJVAQ-SGNDLWITSA-N 2 1 383.580 3.589 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246725262 1037574453 /nfs/dbraw/zinc/57/44/53/1037574453.db2.gz ZOAJQJPBCLPEOE-VDKIKQQVSA-N 2 1 397.607 3.854 20 0 GHADMP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2 ZINC001246737065 1037580038 /nfs/dbraw/zinc/58/00/38/1037580038.db2.gz IMIARNSCGIBVQR-JOCHJYFZSA-N 2 1 391.563 3.530 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752429 1037593497 /nfs/dbraw/zinc/59/34/97/1037593497.db2.gz CCTILGVCBLADIC-VIZSFHNOSA-N 2 1 395.572 3.540 20 0 GHADMP O=C1C[C@@]2(CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)CN1c1cccc(F)c1 ZINC001246754647 1037596572 /nfs/dbraw/zinc/59/65/72/1037596572.db2.gz GBBHLZWSEPABDW-ZUEZHPSSSA-N 2 1 385.527 3.567 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)s1 ZINC001246761132 1037605003 /nfs/dbraw/zinc/60/50/03/1037605003.db2.gz YYRLJIPAOYPXEJ-GHTZIAJQSA-N 2 1 387.593 3.940 20 0 GHADMP c1ccc(O[C@H]2CO[C@@]3(C2)CCC[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246770595 1037612375 /nfs/dbraw/zinc/61/23/75/1037612375.db2.gz ZTIVIZJXTXIKQU-TXTKFYIRSA-N 2 1 385.552 3.539 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[NH2+]1 ZINC001246778371 1037618604 /nfs/dbraw/zinc/61/86/04/1037618604.db2.gz USBHCLDNARTQHD-UZKOGDIHSA-N 2 1 387.543 3.652 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[NH2+]1 ZINC001246778371 1037618618 /nfs/dbraw/zinc/61/86/18/1037618618.db2.gz USBHCLDNARTQHD-UZKOGDIHSA-N 2 1 387.543 3.652 20 0 GHADMP Fc1ccccc1[C@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246797224 1037632809 /nfs/dbraw/zinc/63/28/09/1037632809.db2.gz OQXXDZFPERUCTE-MDAIXWLXSA-N 2 1 379.523 3.968 20 0 GHADMP CC[C@H]1CC([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)C[C@H](CC)[NH2+]1 ZINC001246817070 1037650545 /nfs/dbraw/zinc/65/05/45/1037650545.db2.gz IUROZEQKVSCQIB-HOTGVXAUSA-N 2 1 384.490 3.922 20 0 GHADMP Brc1ccc([C@H]2CC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)cc1 ZINC001246820031 1037652103 /nfs/dbraw/zinc/65/21/03/1037652103.db2.gz GBFLDGCYYZFLLF-IVMQYODDSA-N 2 1 379.342 3.540 20 0 GHADMP [NH3+][C@@H]1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246822239 1037655261 /nfs/dbraw/zinc/65/52/61/1037655261.db2.gz WGFWZEGMQHJWMT-UBCNIHEASA-N 2 1 393.550 3.732 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830521 1037659733 /nfs/dbraw/zinc/65/97/33/1037659733.db2.gz VKJSSFIPCZVEGA-CYXNTTPDSA-N 2 1 389.587 3.948 20 0 GHADMP O=C1OC[C@@H]2[C@H]([N@@H+](Cc3ccccc3)C3CCC4(CCC[NH2+]C4)CC3)CCCN12 ZINC001246833814 1037662262 /nfs/dbraw/zinc/66/22/62/1037662262.db2.gz HAJIWZYLWMHMJZ-VCUAKTQDSA-N 2 1 397.563 3.784 20 0 GHADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246858615 1037679776 /nfs/dbraw/zinc/67/97/76/1037679776.db2.gz LVDDFNLXDIBKMC-DSITVLBTSA-N 2 1 377.576 3.946 20 0 GHADMP Nc1ccc(Br)c2c1C[N@H+](C1CCC3(CCC[NH2+]C3)CC1)CC2 ZINC001246869843 1037686001 /nfs/dbraw/zinc/68/60/01/1037686001.db2.gz WUMYEJOHOFACIQ-UHFFFAOYSA-N 2 1 378.358 3.702 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[N@H+]3CCc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246868278 1037686533 /nfs/dbraw/zinc/68/65/33/1037686533.db2.gz RTHJIZZGMJDWPK-FGCOXFRFSA-N 2 1 379.523 3.842 20 0 GHADMP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001246892397 1037708532 /nfs/dbraw/zinc/70/85/32/1037708532.db2.gz HOLXKOYLHDZQFS-IZCSPVGOSA-N 2 1 393.692 3.758 20 0 GHADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246893262 1037709153 /nfs/dbraw/zinc/70/91/53/1037709153.db2.gz VIVXFFONSWMKOM-WWPVKYPJSA-N 2 1 380.532 3.804 20 0 GHADMP C(C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCC2(CCCCC2)C1)N1CCOCC1 ZINC001246945720 1037750529 /nfs/dbraw/zinc/75/05/29/1037750529.db2.gz XMXGMFLSYZFNPA-QFIPXVFZSA-N 2 1 377.617 3.513 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246953671 1037762778 /nfs/dbraw/zinc/76/27/78/1037762778.db2.gz CHMJMFAOOIHESB-PKOBYXMFSA-N 2 1 376.516 3.810 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246975652 1037799603 /nfs/dbraw/zinc/79/96/03/1037799603.db2.gz NABJWOBTXBEVPM-CZTZKLFOSA-N 2 1 399.510 3.874 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246975652 1037799623 /nfs/dbraw/zinc/79/96/23/1037799623.db2.gz NABJWOBTXBEVPM-CZTZKLFOSA-N 2 1 399.510 3.874 20 0 GHADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001246988468 1037812225 /nfs/dbraw/zinc/81/22/25/1037812225.db2.gz GXMFMBYRIVAAPQ-INIZCTEOSA-N 2 1 380.374 3.739 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247008269 1037831353 /nfs/dbraw/zinc/83/13/53/1037831353.db2.gz GBMVJLMMQZMHJT-YJBOKZPZSA-N 2 1 380.374 3.658 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3nc4ccccc4o3)C[C@@H]21 ZINC001232557837 1038324751 /nfs/dbraw/zinc/32/47/51/1038324751.db2.gz KDKUIDKFZIEDBR-HFSMHLIXSA-N 2 1 376.504 3.955 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CCN(Cc4nc5ccccc5o4)CC3)C2)cc1 ZINC001232557762 1038325878 /nfs/dbraw/zinc/32/58/78/1038325878.db2.gz HUAOOFSVKKMWSY-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000721862021 1038412980 /nfs/dbraw/zinc/41/29/80/1038412980.db2.gz NZNJFTUSYSUIRY-ZQOQTTQJSA-N 2 1 399.579 3.885 20 0 GHADMP CNc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001232669998 1038467712 /nfs/dbraw/zinc/46/77/12/1038467712.db2.gz JSHFBBCIBXZLGA-UHFFFAOYSA-N 2 1 379.548 3.904 20 0 GHADMP Fc1cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc(F)c1Cl ZINC001247909753 1038485682 /nfs/dbraw/zinc/48/56/82/1038485682.db2.gz PITOLKUSPAZQQC-UHFFFAOYSA-N 2 1 382.842 3.600 20 0 GHADMP Fc1cc(-c2noc([C@@H]3CCC[C@@]34CC[NH2+]C4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247937174 1038508482 /nfs/dbraw/zinc/50/84/82/1038508482.db2.gz WXDIYYZNPKXXJB-KPLVRAHFSA-N 2 1 393.466 3.855 20 0 GHADMP c1nc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)cc2o1 ZINC001232940471 1038719240 /nfs/dbraw/zinc/71/92/40/1038719240.db2.gz NYDWXOAEGXRBCE-URXFXBBRSA-N 2 1 395.547 3.788 20 0 GHADMP c1nc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)cc2o1 ZINC001232940471 1038719253 /nfs/dbraw/zinc/71/92/53/1038719253.db2.gz NYDWXOAEGXRBCE-URXFXBBRSA-N 2 1 395.547 3.788 20 0 GHADMP c1nc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)cc2o1 ZINC001232940471 1038719267 /nfs/dbraw/zinc/71/92/67/1038719267.db2.gz NYDWXOAEGXRBCE-URXFXBBRSA-N 2 1 395.547 3.788 20 0 GHADMP c1nc2ccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)cc2o1 ZINC001232940471 1038719278 /nfs/dbraw/zinc/71/92/78/1038719278.db2.gz NYDWXOAEGXRBCE-URXFXBBRSA-N 2 1 395.547 3.788 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ncc3[O-])C[C@H]21 ZINC001233035619 1038792234 /nfs/dbraw/zinc/79/22/34/1038792234.db2.gz HBQMVYCPMBZITB-ATZDWAIDSA-N 2 1 386.927 3.568 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ncc3[O-])C[C@H]21 ZINC001233035619 1038792249 /nfs/dbraw/zinc/79/22/49/1038792249.db2.gz HBQMVYCPMBZITB-ATZDWAIDSA-N 2 1 386.927 3.568 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ncc3[O-])C[C@H]21 ZINC001233035619 1038792263 /nfs/dbraw/zinc/79/22/63/1038792263.db2.gz HBQMVYCPMBZITB-ATZDWAIDSA-N 2 1 386.927 3.568 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(Cl)n3)C[C@H]2CC1 ZINC001278645989 1038873363 /nfs/dbraw/zinc/87/33/63/1038873363.db2.gz OFTDSFRPZSKXEX-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]2CC1 ZINC001278645989 1038873380 /nfs/dbraw/zinc/87/33/80/1038873380.db2.gz OFTDSFRPZSKXEX-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]2CC1 ZINC001278645989 1038873397 /nfs/dbraw/zinc/87/33/97/1038873397.db2.gz OFTDSFRPZSKXEX-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP c1cc2c(c(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)c1)CCO2 ZINC001233274836 1039043834 /nfs/dbraw/zinc/04/38/34/1039043834.db2.gz FECOSKQGRCIBCO-RDGATRHJSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)c1)CCO2 ZINC001233274836 1039043857 /nfs/dbraw/zinc/04/38/57/1039043857.db2.gz FECOSKQGRCIBCO-RDGATRHJSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)c1)CCO2 ZINC001233274836 1039043878 /nfs/dbraw/zinc/04/38/78/1039043878.db2.gz FECOSKQGRCIBCO-RDGATRHJSA-N 2 1 396.575 3.582 20 0 GHADMP O=c1ccc2c(CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295345 1039085910 /nfs/dbraw/zinc/08/59/10/1039085910.db2.gz XMEDRZOZNWXTKL-QUCCMNQESA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295345 1039085930 /nfs/dbraw/zinc/08/59/30/1039085930.db2.gz XMEDRZOZNWXTKL-QUCCMNQESA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295345 1039085940 /nfs/dbraw/zinc/08/59/40/1039085940.db2.gz XMEDRZOZNWXTKL-QUCCMNQESA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295345 1039085957 /nfs/dbraw/zinc/08/59/57/1039085957.db2.gz XMEDRZOZNWXTKL-QUCCMNQESA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccc(O)c2[nH]1 ZINC001233295345 1039085977 /nfs/dbraw/zinc/08/59/77/1039085977.db2.gz XMEDRZOZNWXTKL-QUCCMNQESA-N 2 1 389.499 3.600 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252757957 1039140113 /nfs/dbraw/zinc/14/01/13/1039140113.db2.gz JUHSBSVQNUXKGG-OAQYLSRUSA-N 2 1 376.585 3.920 20 0 GHADMP O[C@@H](CN1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)c1ccc(F)cc1 ZINC001252846635 1039205370 /nfs/dbraw/zinc/20/53/70/1039205370.db2.gz RCFZERZVJDHGRV-NRFANRHFSA-N 2 1 377.419 3.866 20 0 GHADMP COc1ccccc1C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252929931 1039265132 /nfs/dbraw/zinc/26/51/32/1039265132.db2.gz LLOBHFKXYMHXBA-DEOSSOPVSA-N 2 1 380.532 3.512 20 0 GHADMP COc1ccccc1C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252929931 1039265143 /nfs/dbraw/zinc/26/51/43/1039265143.db2.gz LLOBHFKXYMHXBA-DEOSSOPVSA-N 2 1 380.532 3.512 20 0 GHADMP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC001252928727 1039265268 /nfs/dbraw/zinc/26/52/68/1039265268.db2.gz BEFZGRRXIPLZGL-ZEQRLZLVSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC001252928727 1039265287 /nfs/dbraw/zinc/26/52/87/1039265287.db2.gz BEFZGRRXIPLZGL-ZEQRLZLVSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@@H]2CCC[NH+]2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252928727 1039265300 /nfs/dbraw/zinc/26/53/00/1039265300.db2.gz BEFZGRRXIPLZGL-ZEQRLZLVSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@@H]2CCC[NH+]2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252928727 1039265312 /nfs/dbraw/zinc/26/53/12/1039265312.db2.gz BEFZGRRXIPLZGL-ZEQRLZLVSA-N 2 1 380.532 3.859 20 0 GHADMP O[C@]1(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC[N@H+](Cc2ccccc2)C1 ZINC001252951858 1039295752 /nfs/dbraw/zinc/29/57/52/1039295752.db2.gz WCRSUMBZFJEUKC-QFIPXVFZSA-N 2 1 383.923 3.590 20 0 GHADMP O[C@]1(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951858 1039295762 /nfs/dbraw/zinc/29/57/62/1039295762.db2.gz WCRSUMBZFJEUKC-QFIPXVFZSA-N 2 1 383.923 3.590 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC001233534503 1039421461 /nfs/dbraw/zinc/42/14/61/1039421461.db2.gz UARBZCKRTRVQOY-UHFFFAOYSA-N 2 1 396.531 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352030 1039563990 /nfs/dbraw/zinc/56/39/90/1039563990.db2.gz UDIQZGGVELMLHQ-RTWAWAEBSA-N 2 1 390.474 3.968 20 0 GHADMP O[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1)c1ccc(F)c(F)c1 ZINC001253356976 1039568487 /nfs/dbraw/zinc/56/84/87/1039568487.db2.gz PMJQWJGBBLFZKQ-HXUWFJFHSA-N 2 1 376.447 3.579 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001233739662 1039581337 /nfs/dbraw/zinc/58/13/37/1039581337.db2.gz JTQNGTSGLOMFDQ-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001233739662 1039581360 /nfs/dbraw/zinc/58/13/60/1039581360.db2.gz JTQNGTSGLOMFDQ-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001233739662 1039581380 /nfs/dbraw/zinc/58/13/80/1039581380.db2.gz JTQNGTSGLOMFDQ-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1 ZINC001234260105 1039942167 /nfs/dbraw/zinc/94/21/67/1039942167.db2.gz PNEITKVEFDUWQB-LOSJGSFVSA-N 2 1 392.591 3.973 20 0 GHADMP CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254043002 1039971022 /nfs/dbraw/zinc/97/10/22/1039971022.db2.gz YFYVZNQQCLSTKR-QHCPKHFHSA-N 2 1 394.559 3.997 20 0 GHADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254043002 1039971027 /nfs/dbraw/zinc/97/10/27/1039971027.db2.gz YFYVZNQQCLSTKR-QHCPKHFHSA-N 2 1 394.559 3.997 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254268574 1040113327 /nfs/dbraw/zinc/11/33/27/1040113327.db2.gz FZPLHDRKWYYBLS-LJQANCHMSA-N 2 1 386.337 3.878 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(OC(C)C)c1 ZINC001234705677 1040238761 /nfs/dbraw/zinc/23/87/61/1040238761.db2.gz PUWHGLZJNGFWBH-IRLDBZIGSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(OC(C)C)c1 ZINC001234705677 1040238772 /nfs/dbraw/zinc/23/87/72/1040238772.db2.gz PUWHGLZJNGFWBH-IRLDBZIGSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(OC(C)C)c1 ZINC001234705677 1040238781 /nfs/dbraw/zinc/23/87/81/1040238781.db2.gz PUWHGLZJNGFWBH-IRLDBZIGSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(OC(C)C)c1 ZINC001234705677 1040238791 /nfs/dbraw/zinc/23/87/91/1040238791.db2.gz PUWHGLZJNGFWBH-IRLDBZIGSA-N 2 1 395.547 3.831 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)CC1 ZINC001254511541 1040290339 /nfs/dbraw/zinc/29/03/39/1040290339.db2.gz BQBLQVAZZDCQFW-SFHVURJKSA-N 2 1 395.385 3.862 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518718 1040292562 /nfs/dbraw/zinc/29/25/62/1040292562.db2.gz DKPTUPGFGVYFMA-NHCUHLMSSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518718 1040292574 /nfs/dbraw/zinc/29/25/74/1040292574.db2.gz DKPTUPGFGVYFMA-NHCUHLMSSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518718 1040292587 /nfs/dbraw/zinc/29/25/87/1040292587.db2.gz DKPTUPGFGVYFMA-NHCUHLMSSA-N 2 1 399.579 3.807 20 0 GHADMP CC(C)CN1Cc2ccccc2CC2(CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)C1=O ZINC001254521329 1040296801 /nfs/dbraw/zinc/29/68/01/1040296801.db2.gz IZBSDOZFKSURJA-QHCPKHFHSA-N 2 1 397.607 3.794 20 0 GHADMP CCOC(=O)CCCCCC[N@H+]1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001235018996 1040509133 /nfs/dbraw/zinc/50/91/33/1040509133.db2.gz KLOCLLQKTRZKOE-UHFFFAOYSA-N 2 1 388.552 3.646 20 0 GHADMP Clc1ccc(Cn2cc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c3ccccc32)cn1 ZINC001235030470 1040519807 /nfs/dbraw/zinc/51/98/07/1040519807.db2.gz ARIQHXGRWXHQBE-JOCHJYFZSA-N 2 1 380.923 3.923 20 0 GHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc(C)c1OCc1ccccc1 ZINC001235038356 1040530680 /nfs/dbraw/zinc/53/06/80/1040530680.db2.gz HBPAAGFSTNEBHG-DHIUTWEWSA-N 2 1 380.532 3.693 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2n1 ZINC001235091631 1040580778 /nfs/dbraw/zinc/58/07/78/1040580778.db2.gz GLMRONLRQVQAMU-UHFFFAOYSA-N 2 1 390.325 3.581 20 0 GHADMP Brc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)sc1Br ZINC001235094520 1040585751 /nfs/dbraw/zinc/58/57/51/1040585751.db2.gz YZXCRBARSCLIHP-UHFFFAOYSA-N 2 1 394.176 3.849 20 0 GHADMP Brc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)sc1Br ZINC001235094520 1040585772 /nfs/dbraw/zinc/58/57/72/1040585772.db2.gz YZXCRBARSCLIHP-UHFFFAOYSA-N 2 1 394.176 3.849 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235155544 1040648530 /nfs/dbraw/zinc/64/85/30/1040648530.db2.gz LLZPDGZKUDFJQD-QGZVFWFLSA-N 2 1 382.430 3.816 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235155544 1040648550 /nfs/dbraw/zinc/64/85/50/1040648550.db2.gz LLZPDGZKUDFJQD-QGZVFWFLSA-N 2 1 382.430 3.816 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235155544 1040648567 /nfs/dbraw/zinc/64/85/67/1040648567.db2.gz LLZPDGZKUDFJQD-QGZVFWFLSA-N 2 1 382.430 3.816 20 0 GHADMP Brc1ccnc2[nH]cc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c21 ZINC001235156541 1040651635 /nfs/dbraw/zinc/65/16/35/1040651635.db2.gz QOJHAEBFAYKMEJ-MRXNPFEDSA-N 2 1 377.330 3.680 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC001235160853 1040653795 /nfs/dbraw/zinc/65/37/95/1040653795.db2.gz RGDKMTDBNQPCEZ-SFHVURJKSA-N 2 1 395.341 3.590 20 0 GHADMP COc1cc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccn1 ZINC001462481032 1070289251 /nfs/dbraw/zinc/28/92/51/1070289251.db2.gz LZWVZPIPXGFHJA-SIKLNZKXSA-N 2 1 379.548 3.913 20 0 GHADMP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)cc2)cc1 ZINC001235224459 1040706370 /nfs/dbraw/zinc/70/63/70/1040706370.db2.gz MBOUHNXAWBUBCA-ICSRJNTNSA-N 2 1 376.422 3.946 20 0 GHADMP COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)cc2)cc1 ZINC001235224459 1040706381 /nfs/dbraw/zinc/70/63/81/1040706381.db2.gz MBOUHNXAWBUBCA-ICSRJNTNSA-N 2 1 376.422 3.946 20 0 GHADMP Ic1csc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235228354 1040709570 /nfs/dbraw/zinc/70/95/70/1040709570.db2.gz LWPONUJFSOYMDT-HNNXBMFYSA-N 2 1 390.334 3.707 20 0 GHADMP Brc1ccc2c(c1C[NH+]1CCC([C@H]3CCCC[NH2+]3)CC1)OCO2 ZINC001235239626 1040721116 /nfs/dbraw/zinc/72/11/16/1040721116.db2.gz KUVNARMCEAUTQY-MRXNPFEDSA-N 2 1 381.314 3.532 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccc(OC)c2)CCO3)n1 ZINC001235260561 1040741667 /nfs/dbraw/zinc/74/16/67/1040741667.db2.gz VLWUAJAAAUYDKR-UHFFFAOYSA-N 2 1 395.547 3.520 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccc(OC)c2)CCO3)n1 ZINC001235260561 1040741683 /nfs/dbraw/zinc/74/16/83/1040741683.db2.gz VLWUAJAAAUYDKR-UHFFFAOYSA-N 2 1 395.547 3.520 20 0 GHADMP COCC[N@H+](Cc1cccc(F)c1OC(F)(F)F)CC1CC[NH+](C)CC1 ZINC001462490461 1070297096 /nfs/dbraw/zinc/29/70/96/1070297096.db2.gz DRPDHEBTNQQJOE-UHFFFAOYSA-N 2 1 378.410 3.515 20 0 GHADMP [NH3+]C1(Cc2ccccc2Cl)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255108291 1040789603 /nfs/dbraw/zinc/78/96/03/1040789603.db2.gz NJIYHXCGRWQDNK-NRFANRHFSA-N 2 1 383.967 3.950 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1c(C)cccc1Cl)C2 ZINC001235325686 1040794216 /nfs/dbraw/zinc/79/42/16/1040794216.db2.gz QQCJFOSEJQYLIH-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3CN([C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112307 1040797750 /nfs/dbraw/zinc/79/77/50/1040797750.db2.gz KMWMOWRDEGLVPK-GVAUOCQISA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3CN([C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112307 1040797766 /nfs/dbraw/zinc/79/77/66/1040797766.db2.gz KMWMOWRDEGLVPK-GVAUOCQISA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3CN([C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255112307 1040797783 /nfs/dbraw/zinc/79/77/83/1040797783.db2.gz KMWMOWRDEGLVPK-GVAUOCQISA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255112307 1040797792 /nfs/dbraw/zinc/79/77/92/1040797792.db2.gz KMWMOWRDEGLVPK-GVAUOCQISA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255112307 1040797808 /nfs/dbraw/zinc/79/78/08/1040797808.db2.gz KMWMOWRDEGLVPK-GVAUOCQISA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255112307 1040797825 /nfs/dbraw/zinc/79/78/25/1040797825.db2.gz KMWMOWRDEGLVPK-GVAUOCQISA-N 2 1 375.560 3.633 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H]4CCN(Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255112307 1040797837 /nfs/dbraw/zinc/79/78/37/1040797837.db2.gz KMWMOWRDEGLVPK-GVAUOCQISA-N 2 1 375.560 3.633 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2(Cc4ccccn4)CCOCC2)C3)cc1 ZINC001255131039 1040825555 /nfs/dbraw/zinc/82/55/55/1040825555.db2.gz LVSZZHKQUYPUNQ-BKFWDETESA-N 2 1 391.559 3.959 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)ncn1 ZINC001255132103 1040828238 /nfs/dbraw/zinc/82/82/38/1040828238.db2.gz JFGRQDCEQTZECC-WBDAEOGXSA-N 2 1 391.563 3.539 20 0 GHADMP CC(C)(C)[C@@H](CN1CCOCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136094 1040837131 /nfs/dbraw/zinc/83/71/31/1040837131.db2.gz MXUNAHKNIALZEY-KAOXLYBCSA-N 2 1 385.596 3.519 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2cccc(-c4cncnc4)c2)CC3)cc1 ZINC001235361542 1040846622 /nfs/dbraw/zinc/84/66/22/1040846622.db2.gz FLGZHJPOUCMEPY-RPBOFIJWSA-N 2 1 384.527 3.897 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255142425 1040851188 /nfs/dbraw/zinc/85/11/88/1040851188.db2.gz QMOQOKRQTBMLPK-GBFSOMBPSA-N 2 1 397.563 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255142425 1040851205 /nfs/dbraw/zinc/85/12/05/1040851205.db2.gz QMOQOKRQTBMLPK-GBFSOMBPSA-N 2 1 397.563 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255142425 1040851222 /nfs/dbraw/zinc/85/12/22/1040851222.db2.gz QMOQOKRQTBMLPK-GBFSOMBPSA-N 2 1 397.563 3.781 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](C)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255147288 1040861732 /nfs/dbraw/zinc/86/17/32/1040861732.db2.gz NQHUSTNFGPCMSF-ZBYYUNFXSA-N 2 1 385.552 3.735 20 0 GHADMP CCOC(=O)N1CCC([NH+](C)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255147288 1040861741 /nfs/dbraw/zinc/86/17/41/1040861741.db2.gz NQHUSTNFGPCMSF-ZBYYUNFXSA-N 2 1 385.552 3.735 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CCC1 ZINC001255149361 1040868258 /nfs/dbraw/zinc/86/82/58/1040868258.db2.gz GRKWLUKTEMUBCB-LUKWVAJMSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CCC1 ZINC001255149361 1040868269 /nfs/dbraw/zinc/86/82/69/1040868269.db2.gz GRKWLUKTEMUBCB-LUKWVAJMSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C1CCC1 ZINC001255149361 1040868275 /nfs/dbraw/zinc/86/82/75/1040868275.db2.gz GRKWLUKTEMUBCB-LUKWVAJMSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C1CCC1 ZINC001255149361 1040868289 /nfs/dbraw/zinc/86/82/89/1040868289.db2.gz GRKWLUKTEMUBCB-LUKWVAJMSA-N 2 1 381.564 3.563 20 0 GHADMP Brc1ccc2ccccc2c1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235369568 1040869445 /nfs/dbraw/zinc/86/94/45/1040869445.db2.gz SKAWBZQOBJQTGX-RZQQEMMASA-N 2 1 387.321 3.555 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc2c1OCC=C2 ZINC001235369766 1040869470 /nfs/dbraw/zinc/86/94/70/1040869470.db2.gz UDXKAZMIJIHKED-DHLKQENFSA-N 2 1 390.527 3.854 20 0 GHADMP COc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc2c1OCC=C2 ZINC001235369766 1040869486 /nfs/dbraw/zinc/86/94/86/1040869486.db2.gz UDXKAZMIJIHKED-DHLKQENFSA-N 2 1 390.527 3.854 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@@H+](Cc2cccc(Oc4ncccn4)c2)C3)cc1 ZINC001235381403 1040901710 /nfs/dbraw/zinc/90/17/10/1040901710.db2.gz WRCJOAFRGFPHRT-VWNXMTODSA-N 2 1 386.499 3.848 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](Cc2cccc(Oc4ncccn4)c2)C3)cc1 ZINC001235381403 1040901712 /nfs/dbraw/zinc/90/17/12/1040901712.db2.gz WRCJOAFRGFPHRT-VWNXMTODSA-N 2 1 386.499 3.848 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)cc2)cc1 ZINC001235396804 1040911092 /nfs/dbraw/zinc/91/10/92/1040911092.db2.gz MHYSWDILLBWWFQ-RTWAWAEBSA-N 2 1 382.479 3.649 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410117 1040920478 /nfs/dbraw/zinc/92/04/78/1040920478.db2.gz XTOCCJQZWYZFRJ-GMAHTHKFSA-N 2 1 378.495 3.833 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410117 1040920489 /nfs/dbraw/zinc/92/04/89/1040920489.db2.gz XTOCCJQZWYZFRJ-GMAHTHKFSA-N 2 1 378.495 3.833 20 0 GHADMP COc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422616 1040925043 /nfs/dbraw/zinc/92/50/43/1040925043.db2.gz DGSABAYQGYEWDC-KBPBESRZSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1Br ZINC001235423915 1040925596 /nfs/dbraw/zinc/92/55/96/1040925596.db2.gz HDQMRWXAMNKRSX-CVEARBPZSA-N 2 1 397.357 3.678 20 0 GHADMP Brc1cccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)oc21 ZINC001235430138 1040931137 /nfs/dbraw/zinc/93/11/37/1040931137.db2.gz FLNAUHNGPBRZSE-KBPBESRZSA-N 2 1 378.314 3.802 20 0 GHADMP Brc1cccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)oc21 ZINC001235430138 1040931150 /nfs/dbraw/zinc/93/11/50/1040931150.db2.gz FLNAUHNGPBRZSE-KBPBESRZSA-N 2 1 378.314 3.802 20 0 GHADMP CCOC(=O)C1CCC([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001255262005 1040931643 /nfs/dbraw/zinc/93/16/43/1040931643.db2.gz RJQJQDYGTOYQAO-GPJPBAPLSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001255262005 1040931644 /nfs/dbraw/zinc/93/16/44/1040931644.db2.gz RJQJQDYGTOYQAO-GPJPBAPLSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001255262005 1040931648 /nfs/dbraw/zinc/93/16/48/1040931648.db2.gz RJQJQDYGTOYQAO-GPJPBAPLSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001255262005 1040931649 /nfs/dbraw/zinc/93/16/49/1040931649.db2.gz RJQJQDYGTOYQAO-GPJPBAPLSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001255262007 1040932297 /nfs/dbraw/zinc/93/22/97/1040932297.db2.gz RJQJQDYGTOYQAO-XEKJVIKOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001255262007 1040932298 /nfs/dbraw/zinc/93/22/98/1040932298.db2.gz RJQJQDYGTOYQAO-XEKJVIKOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001255262007 1040932302 /nfs/dbraw/zinc/93/23/02/1040932302.db2.gz RJQJQDYGTOYQAO-XEKJVIKOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001255262007 1040932304 /nfs/dbraw/zinc/93/23/04/1040932304.db2.gz RJQJQDYGTOYQAO-XEKJVIKOSA-N 2 1 399.579 3.736 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431648 1040933804 /nfs/dbraw/zinc/93/38/04/1040933804.db2.gz VKPASEISRXGHER-RBUKOAKNSA-N 2 1 383.511 3.607 20 0 GHADMP C[N@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC001235433031 1040934332 /nfs/dbraw/zinc/93/43/32/1040934332.db2.gz DYYJFHHUNFIXMW-UHFFFAOYSA-N 2 1 381.236 3.779 20 0 GHADMP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235441457 1040939712 /nfs/dbraw/zinc/93/97/12/1040939712.db2.gz JXKSPAMHFVCVHV-QFIPXVFZSA-N 2 1 375.520 3.842 20 0 GHADMP c1ccc(CN2CCO[C@@H](C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255380946 1040972312 /nfs/dbraw/zinc/97/23/12/1040972312.db2.gz NFORWBMKKIZDHL-DQEYMECFSA-N 2 1 393.575 3.532 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235524578 1040975773 /nfs/dbraw/zinc/97/57/73/1040975773.db2.gz AIAYESDXSXVCIN-SJLPKXTDSA-N 2 1 383.552 3.527 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001235524578 1040975775 /nfs/dbraw/zinc/97/57/75/1040975775.db2.gz AIAYESDXSXVCIN-SJLPKXTDSA-N 3 1 383.552 3.527 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235524578 1040975786 /nfs/dbraw/zinc/97/57/86/1040975786.db2.gz AIAYESDXSXVCIN-SJLPKXTDSA-N 3 1 383.552 3.527 20 0 GHADMP C[C@H](CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001255389889 1040978656 /nfs/dbraw/zinc/97/86/56/1040978656.db2.gz VUFZYTHANIYPFZ-UYAOXDASSA-N 2 1 375.557 3.934 20 0 GHADMP [NH3+]CCCCC[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001235544758 1040981793 /nfs/dbraw/zinc/98/17/93/1040981793.db2.gz IGGNGQYMXHWOHW-RBBKRZOGSA-N 2 1 383.561 3.700 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255397838 1040983967 /nfs/dbraw/zinc/98/39/67/1040983967.db2.gz QJZDDHWZVDDNJW-LNRXMEIDSA-N 2 1 399.579 3.886 20 0 GHADMP COc1ccc2c(c1)OC[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255398405 1040985230 /nfs/dbraw/zinc/98/52/30/1040985230.db2.gz TZXYJCHHRJWAGU-IRLDBZIGSA-N 2 1 380.532 3.891 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2[C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255400787 1040987687 /nfs/dbraw/zinc/98/76/87/1040987687.db2.gz NUVRHSNFMCSNIB-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[NH+]2[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255400787 1040987694 /nfs/dbraw/zinc/98/76/94/1040987694.db2.gz NUVRHSNFMCSNIB-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[NH+]2[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255400787 1040987696 /nfs/dbraw/zinc/98/76/96/1040987696.db2.gz NUVRHSNFMCSNIB-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235560331 1040989072 /nfs/dbraw/zinc/98/90/72/1040989072.db2.gz QPXUBSGXFNRUBE-QOEFQVSFSA-N 2 1 395.576 3.939 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235560331 1040989079 /nfs/dbraw/zinc/98/90/79/1040989079.db2.gz QPXUBSGXFNRUBE-QOEFQVSFSA-N 2 1 395.576 3.939 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235560331 1040989094 /nfs/dbraw/zinc/98/90/94/1040989094.db2.gz QPXUBSGXFNRUBE-QOEFQVSFSA-N 2 1 395.576 3.939 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235560331 1040989096 /nfs/dbraw/zinc/98/90/96/1040989096.db2.gz QPXUBSGXFNRUBE-QOEFQVSFSA-N 2 1 395.576 3.939 20 0 GHADMP c1nn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001255403287 1040990629 /nfs/dbraw/zinc/99/06/29/1040990629.db2.gz CUAPOBNGAKDJEN-QFIPXVFZSA-N 2 1 389.547 3.673 20 0 GHADMP c1cc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)ccn1 ZINC001235576437 1040994660 /nfs/dbraw/zinc/99/46/60/1040994660.db2.gz QXHGDXRZAJUUSB-RPWUZVMVSA-N 2 1 377.532 3.546 20 0 GHADMP O=C1OC2(CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c2cnccc21 ZINC001255409260 1040996666 /nfs/dbraw/zinc/99/66/66/1040996666.db2.gz VBSPEJGJOABXBS-FQEVSTJZSA-N 2 1 391.515 3.598 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409622 1040997915 /nfs/dbraw/zinc/99/79/15/1040997915.db2.gz JEYGBIOMLIJOCP-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409622 1040997918 /nfs/dbraw/zinc/99/79/18/1040997918.db2.gz JEYGBIOMLIJOCP-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409622 1040997923 /nfs/dbraw/zinc/99/79/23/1040997923.db2.gz JEYGBIOMLIJOCP-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409421 1040998063 /nfs/dbraw/zinc/99/80/63/1040998063.db2.gz XVNCKDTXRMTNLL-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409421 1040998064 /nfs/dbraw/zinc/99/80/64/1040998064.db2.gz XVNCKDTXRMTNLL-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409421 1040998071 /nfs/dbraw/zinc/99/80/71/1040998071.db2.gz XVNCKDTXRMTNLL-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP c1c(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235593810 1041005509 /nfs/dbraw/zinc/00/55/09/1041005509.db2.gz MMWZIIYPUKXCCY-WTIAFYNJSA-N 2 1 379.548 3.772 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](c3nnc(-c4c[nH+]ccc4N4CCCC4)o3)C2)cc1 ZINC001255468705 1041071813 /nfs/dbraw/zinc/07/18/13/1041071813.db2.gz JKKAHMDLMRWSSV-GOSISDBHSA-N 2 1 375.476 3.721 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](c3nnc(-c4c[nH+]ccc4N4CCCC4)o3)C2)cc1 ZINC001255468705 1041071824 /nfs/dbraw/zinc/07/18/24/1041071824.db2.gz JKKAHMDLMRWSSV-GOSISDBHSA-N 2 1 375.476 3.721 20 0 GHADMP CCN1CCc2ccc(C[N@H+]3CCCn4cnc(C[NH2+]C5CCCC5)c4C3)cc21 ZINC001235648861 1041091137 /nfs/dbraw/zinc/09/11/37/1041091137.db2.gz LDFWYDDRYYHXCA-UHFFFAOYSA-N 2 1 393.579 3.704 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659197 1041111876 /nfs/dbraw/zinc/11/18/76/1041111876.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659197 1041111889 /nfs/dbraw/zinc/11/18/89/1041111889.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659197 1041111897 /nfs/dbraw/zinc/11/18/97/1041111897.db2.gz CXVXJEUNYACOAU-KJRRRBQDSA-N 2 1 377.523 3.588 20 0 GHADMP C[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2Br)CC1 ZINC001235678112 1041137633 /nfs/dbraw/zinc/13/76/33/1041137633.db2.gz CKDZJKOSHSYSFM-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+](C3CCC4(CC3)OCCO4)CC2)c1 ZINC001255631083 1041181168 /nfs/dbraw/zinc/18/11/68/1041181168.db2.gz YQZHKGFFMPHOHI-UHFFFAOYSA-N 2 1 398.469 3.945 20 0 GHADMP Brc1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c2nsnc21 ZINC001235702053 1041181923 /nfs/dbraw/zinc/18/19/23/1041181923.db2.gz IBEARRSBDWUJEY-UHFFFAOYSA-N 2 1 395.370 3.665 20 0 GHADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(OC(F)(F)F)cc1Br)CC2 ZINC001235715598 1041198588 /nfs/dbraw/zinc/19/85/88/1041198588.db2.gz YRUDOMYEWXZTDL-UHFFFAOYSA-N 2 1 393.247 3.875 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001235716051 1041198770 /nfs/dbraw/zinc/19/87/70/1041198770.db2.gz XWSWQJLHXSRMRP-KRWDZBQOSA-N 2 1 384.593 3.625 20 0 GHADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(Br)cccc1OC(F)F ZINC001235718308 1041200458 /nfs/dbraw/zinc/20/04/58/1041200458.db2.gz XJZGHSSYEOISRN-UHFFFAOYSA-N 2 1 377.273 3.872 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(Br)cccc1OC(F)F ZINC001235718308 1041200479 /nfs/dbraw/zinc/20/04/79/1041200479.db2.gz XJZGHSSYEOISRN-UHFFFAOYSA-N 2 1 377.273 3.872 20 0 GHADMP CCn1c2ccccc2nc1N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255672723 1041204185 /nfs/dbraw/zinc/20/41/85/1041204185.db2.gz PXVHRUUFIRYKIS-IHWFROFDSA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255672723 1041204195 /nfs/dbraw/zinc/20/41/95/1041204195.db2.gz PXVHRUUFIRYKIS-IHWFROFDSA-N 2 1 381.568 3.630 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255693256 1041219350 /nfs/dbraw/zinc/21/93/50/1041219350.db2.gz IEHPJEAQEQZNRS-HZPDHXFCSA-N 2 1 395.510 3.934 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717027 1041244369 /nfs/dbraw/zinc/24/43/69/1041244369.db2.gz PZWQWXLNAUHZMD-MSOLQXFVSA-N 2 1 384.490 3.972 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCC[C@@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717027 1041244381 /nfs/dbraw/zinc/24/43/81/1041244381.db2.gz PZWQWXLNAUHZMD-MSOLQXFVSA-N 2 1 384.490 3.972 20 0 GHADMP CC[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235760672 1041248814 /nfs/dbraw/zinc/24/88/14/1041248814.db2.gz HKFFNGQBYCVDNV-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235760672 1041248831 /nfs/dbraw/zinc/24/88/31/1041248831.db2.gz HKFFNGQBYCVDNV-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP COc1c(C)c[nH+]c(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)c1C ZINC001235794381 1041292832 /nfs/dbraw/zinc/29/28/32/1041292832.db2.gz FODABLCPGUEITC-GOSISDBHSA-N 2 1 390.325 3.616 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3ccc(F)cc3)CC[C@@H]21 ZINC001255872429 1041365222 /nfs/dbraw/zinc/36/52/22/1041365222.db2.gz VSVGULATZOEOOL-SQMBMXPBSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(F)cc3)CC[C@@H]21 ZINC001255872429 1041365236 /nfs/dbraw/zinc/36/52/36/1041365236.db2.gz VSVGULATZOEOOL-SQMBMXPBSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(F)cc3)CC[C@@H]21 ZINC001255872429 1041365246 /nfs/dbraw/zinc/36/52/46/1041365246.db2.gz VSVGULATZOEOOL-SQMBMXPBSA-N 2 1 384.543 3.827 20 0 GHADMP C[N@@H+](CCc1ccc(Cl)cc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235840501 1041367665 /nfs/dbraw/zinc/36/76/65/1041367665.db2.gz ODNAYKIMXOHOJX-UHFFFAOYSA-N 2 1 383.927 3.524 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235865422 1041397844 /nfs/dbraw/zinc/39/78/44/1041397844.db2.gz AWWWRUAQIOBVFT-YADARESESA-N 2 1 379.548 3.602 20 0 GHADMP CC[C@@H]([NH3+])CN1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235868144 1041401497 /nfs/dbraw/zinc/40/14/97/1041401497.db2.gz UZNYAAUKQLRFDL-HSZRJFAPSA-N 2 1 381.564 3.538 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cncn1Cc1cccc(Br)c1 ZINC001255951980 1041432385 /nfs/dbraw/zinc/43/23/85/1041432385.db2.gz LYMYIUUWWGKWOB-INIZCTEOSA-N 2 1 393.373 3.904 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001255962167 1041441289 /nfs/dbraw/zinc/44/12/89/1041441289.db2.gz HDUGJTCUCAHPPX-WWNPGLIZSA-N 2 1 389.584 3.590 20 0 GHADMP COCCC[N@@H+](Cc1ccc(Cl)c(Br)c1)C1CC[NH2+]CC1 ZINC001235936456 1041441714 /nfs/dbraw/zinc/44/17/14/1041441714.db2.gz CBXUUBIKBBBMQB-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cn2)cc1 ZINC001235938593 1041445978 /nfs/dbraw/zinc/44/59/78/1041445978.db2.gz LLYZZCCIIXPUCG-SJORKVTESA-N 2 1 377.410 3.689 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(Oc2ccccc2C(=O)NC(C)C)CC1 ZINC001255968427 1041447362 /nfs/dbraw/zinc/44/73/62/1041447362.db2.gz YGIPBEASFRHGCH-IBGZPJMESA-N 2 1 389.584 3.788 20 0 GHADMP Clc1cccc([C@H]2CC[N@@H+](Cc3cnc4cc(C5CC[NH2+]CC5)nn4c3)C2)c1 ZINC001235950273 1041453204 /nfs/dbraw/zinc/45/32/04/1041453204.db2.gz YMBLVSWDCYPJDV-IBGZPJMESA-N 2 1 395.938 3.839 20 0 GHADMP C[N@@H+](Cc1ccc(Oc2ccccc2)cc1)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235950257 1041454799 /nfs/dbraw/zinc/45/47/99/1041454799.db2.gz XLSMPRQCOPXIAP-UHFFFAOYSA-N 2 1 388.515 3.916 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001235976806 1041482426 /nfs/dbraw/zinc/48/24/26/1041482426.db2.gz FJEGTKCXNCSNGM-UHFFFAOYSA-N 2 1 384.907 3.764 20 0 GHADMP COc1cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(OC)cc1Cl ZINC001235979445 1041484248 /nfs/dbraw/zinc/48/42/48/1041484248.db2.gz ZTFLBSUSJRGFQB-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP COc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(OC)cc1Cl ZINC001235979445 1041484255 /nfs/dbraw/zinc/48/42/55/1041484255.db2.gz ZTFLBSUSJRGFQB-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP CCOC(=O)N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001256033686 1041486557 /nfs/dbraw/zinc/48/65/57/1041486557.db2.gz YPFACWQRNQBYOP-XEYPJELSSA-N 2 1 391.581 3.511 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001256033686 1041486566 /nfs/dbraw/zinc/48/65/66/1041486566.db2.gz YPFACWQRNQBYOP-XEYPJELSSA-N 2 1 391.581 3.511 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001256033686 1041486580 /nfs/dbraw/zinc/48/65/80/1041486580.db2.gz YPFACWQRNQBYOP-XEYPJELSSA-N 2 1 391.581 3.511 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(-c2ccccc2)cn1 ZINC001236011947 1041504248 /nfs/dbraw/zinc/50/42/48/1041504248.db2.gz ZNXCBQVWLGDCNQ-RDGATRHJSA-N 2 1 385.511 3.730 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(-c2ccccc2)cn1 ZINC001236011947 1041504258 /nfs/dbraw/zinc/50/42/58/1041504258.db2.gz ZNXCBQVWLGDCNQ-RDGATRHJSA-N 2 1 385.511 3.730 20 0 GHADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012905 1041506238 /nfs/dbraw/zinc/50/62/38/1041506238.db2.gz UGSASVJMHWHVRS-GJZUVCINSA-N 2 1 394.522 3.999 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc2c1NC(C)(C)C=C2 ZINC001236014088 1041507226 /nfs/dbraw/zinc/50/72/26/1041507226.db2.gz DNXIOEYDJXUPAJ-BWKNWUBXSA-N 2 1 389.543 3.886 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc2c1NC(C)(C)C=C2 ZINC001236014088 1041507241 /nfs/dbraw/zinc/50/72/41/1041507241.db2.gz DNXIOEYDJXUPAJ-BWKNWUBXSA-N 2 1 389.543 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075519 1041509734 /nfs/dbraw/zinc/50/97/34/1041509734.db2.gz MMAAIGUJFIPBSZ-JOCHJYFZSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075519 1041509745 /nfs/dbraw/zinc/50/97/45/1041509745.db2.gz MMAAIGUJFIPBSZ-JOCHJYFZSA-N 2 1 377.573 3.726 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001236082353 1041525342 /nfs/dbraw/zinc/52/53/42/1041525342.db2.gz LTZRGPQPVNBULS-OAQYLSRUSA-N 2 1 384.955 3.565 20 0 GHADMP Cc1cc(-c2cnn(CCC[NH+](C)C)c2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001236147984 1041571742 /nfs/dbraw/zinc/57/17/42/1041571742.db2.gz HKDRUTYTLBPXQN-UHFFFAOYSA-N 2 1 389.547 3.764 20 0 GHADMP COc1cccc(C[C@@H](C)[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001256159486 1041593793 /nfs/dbraw/zinc/59/37/93/1041593793.db2.gz AIDGIZUBEXHQTH-TZIWHRDSSA-N 2 1 398.547 3.975 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(-n3cccn3)c(Br)c2)CC1 ZINC001236216283 1041625652 /nfs/dbraw/zinc/62/56/52/1041625652.db2.gz WZSNHNUAGIDJSK-UHFFFAOYSA-N 2 1 377.330 3.597 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236236417 1041637760 /nfs/dbraw/zinc/63/77/60/1041637760.db2.gz KCJCPZWEUSEBGI-QGTPRVQTSA-N 2 1 376.566 3.869 20 0 GHADMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)nc1)Cc1cccc(C(F)(F)F)c1 ZINC001236287969 1041661246 /nfs/dbraw/zinc/66/12/46/1041661246.db2.gz UVGWOSJLMJIERG-UHFFFAOYSA-N 2 1 378.442 3.532 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC001236322932 1041671285 /nfs/dbraw/zinc/67/12/85/1041671285.db2.gz VWLBGRSPMIVIRP-UHFFFAOYSA-N 2 1 378.358 3.625 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]3C2)cc1 ZINC001256290197 1041686670 /nfs/dbraw/zinc/68/66/70/1041686670.db2.gz BYLMZNVFVFSHPH-OYRHEFFESA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]3C2)cc1 ZINC001256290197 1041686677 /nfs/dbraw/zinc/68/66/77/1041686677.db2.gz BYLMZNVFVFSHPH-OYRHEFFESA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]3C2)cc1 ZINC001256290197 1041686684 /nfs/dbraw/zinc/68/66/84/1041686684.db2.gz BYLMZNVFVFSHPH-OYRHEFFESA-N 2 1 399.579 3.758 20 0 GHADMP C[C@H](C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001236397713 1041701305 /nfs/dbraw/zinc/70/13/05/1041701305.db2.gz AKCQJLRSJSNGAJ-OAQYLSRUSA-N 2 1 395.591 3.577 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OC)c(OCc2ccccc2)c1)C[C@H]1CC[NH2+]C1 ZINC001236407701 1041704692 /nfs/dbraw/zinc/70/46/92/1041704692.db2.gz GRKKAHTWIDTCCH-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)cc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236410340 1041705562 /nfs/dbraw/zinc/70/55/62/1041705562.db2.gz YYVWCCKVHSAUQM-LLVKDONJSA-N 2 1 381.236 3.779 20 0 GHADMP CC[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236410340 1041705571 /nfs/dbraw/zinc/70/55/71/1041705571.db2.gz YYVWCCKVHSAUQM-LLVKDONJSA-N 2 1 381.236 3.779 20 0 GHADMP CC(C)CC[C@@H](C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256367250 1041711487 /nfs/dbraw/zinc/71/14/87/1041711487.db2.gz APNFBSUKFGVIEW-OAQYLSRUSA-N 2 1 385.596 3.868 20 0 GHADMP COc1ccc(C[N@@H+](CCc2ccc(OC)c(OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236439552 1041712161 /nfs/dbraw/zinc/71/21/61/1041712161.db2.gz HTPXWMRNTLAYBA-UHFFFAOYSA-N 2 1 384.520 3.509 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1[nH]nc2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC001236458610 1041721832 /nfs/dbraw/zinc/72/18/32/1041721832.db2.gz ZJRYJHJQMRRLFV-UHFFFAOYSA-N 2 1 379.346 3.926 20 0 GHADMP CC(C)(C)C[N@H+](Cc1cnc2cc(Br)ccn12)C1CC[NH2+]CC1 ZINC001236459410 1041722630 /nfs/dbraw/zinc/72/26/30/1041722630.db2.gz NCEJVVFQGHTWIR-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cnc2cc(Br)ccn12)C1CC[NH2+]CC1 ZINC001236459410 1041722634 /nfs/dbraw/zinc/72/26/34/1041722634.db2.gz NCEJVVFQGHTWIR-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CCOCC[N@H+](Cc1cc2ccc(Br)cc2[nH]1)C1CC[NH2+]CC1 ZINC001236461009 1041723757 /nfs/dbraw/zinc/72/37/57/1041723757.db2.gz JGIMMYNBDISSSQ-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP CCOCC[N@@H+](Cc1cc2ccc(Br)cc2[nH]1)C1CC[NH2+]CC1 ZINC001236461009 1041723763 /nfs/dbraw/zinc/72/37/63/1041723763.db2.gz JGIMMYNBDISSSQ-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc(C)c(OC)c2)C2CC[NH2+]CC2)c1 ZINC001236464707 1041726095 /nfs/dbraw/zinc/72/60/95/1041726095.db2.gz KAUXCAYQFADIBB-UHFFFAOYSA-N 2 1 382.504 3.544 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc(C)c(OC)c2)C2CC[NH2+]CC2)c1 ZINC001236464707 1041726105 /nfs/dbraw/zinc/72/61/05/1041726105.db2.gz KAUXCAYQFADIBB-UHFFFAOYSA-N 2 1 382.504 3.544 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)CC2CCC3(CC2)OCCO3)CC1 ZINC001236534153 1041755556 /nfs/dbraw/zinc/75/55/56/1041755556.db2.gz PKXUDXCJBSVNGG-MXVIHJGJSA-N 2 1 376.516 3.831 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236544912 1041757324 /nfs/dbraw/zinc/75/73/24/1041757324.db2.gz WAYPKAQPTGOPRV-QAQDUYKDSA-N 2 1 388.533 3.815 20 0 GHADMP COc1ccc(C[N@@H+](Cc2[nH]nc3ccc(OC)cc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544570 1041757370 /nfs/dbraw/zinc/75/73/70/1041757370.db2.gz UUUQTBZGSFNJQQ-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc(C[N@H+](Cc2n[nH]c3ccc(OC)cc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544570 1041757371 /nfs/dbraw/zinc/75/73/71/1041757371.db2.gz UUUQTBZGSFNJQQ-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc(C[N@@H+](Cc2n[nH]c3ccc(OC)cc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544570 1041757376 /nfs/dbraw/zinc/75/73/76/1041757376.db2.gz UUUQTBZGSFNJQQ-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc(C[N@H+](Cc2cc(O)c(F)c(F)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545732 1041758658 /nfs/dbraw/zinc/75/86/58/1041758658.db2.gz ROOPRLBIDSXOGA-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc(O)c(F)c(F)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545732 1041758661 /nfs/dbraw/zinc/75/86/61/1041758661.db2.gz ROOPRLBIDSXOGA-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1ccccc1-n1cncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555379 1041760305 /nfs/dbraw/zinc/76/03/05/1041760305.db2.gz IVLIMCLOTNWUFW-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP COc1ccc(OC)c(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236555167 1041760525 /nfs/dbraw/zinc/76/05/25/1041760525.db2.gz FFAACDFRFYQLEH-WGSAOQKQSA-N 2 1 383.536 3.867 20 0 GHADMP Cc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1I ZINC001236648365 1041802214 /nfs/dbraw/zinc/80/22/14/1041802214.db2.gz QLXJMMJWSIFKDA-UHFFFAOYSA-N 2 1 384.305 3.706 20 0 GHADMP Cc1c(I)cccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236649399 1041802729 /nfs/dbraw/zinc/80/27/29/1041802729.db2.gz XXHLPTWPDGGFNB-UHFFFAOYSA-N 2 1 384.305 3.706 20 0 GHADMP CCOC(=O)c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001236656199 1041807184 /nfs/dbraw/zinc/80/71/84/1041807184.db2.gz MPRQBYOOZCLTIO-SFTDATJTSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001236656199 1041807189 /nfs/dbraw/zinc/80/71/89/1041807189.db2.gz MPRQBYOOZCLTIO-SFTDATJTSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001236656199 1041807193 /nfs/dbraw/zinc/80/71/93/1041807193.db2.gz MPRQBYOOZCLTIO-SFTDATJTSA-N 2 1 393.531 3.602 20 0 GHADMP COc1cc(OC)c(OC)cc1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236681107 1041827223 /nfs/dbraw/zinc/82/72/23/1041827223.db2.gz AZDBUVDSWQXXNS-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236690324 1041833837 /nfs/dbraw/zinc/83/38/37/1041833837.db2.gz PROIQMAUZZTUQD-MEMLXQNLSA-N 2 1 382.504 3.511 20 0 GHADMP CCOc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001236693842 1041835695 /nfs/dbraw/zinc/83/56/95/1041835695.db2.gz DMJFAWYHGBNBKK-RTWAWAEBSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001236693842 1041835699 /nfs/dbraw/zinc/83/56/99/1041835699.db2.gz DMJFAWYHGBNBKK-RTWAWAEBSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001236693842 1041835704 /nfs/dbraw/zinc/83/57/04/1041835704.db2.gz DMJFAWYHGBNBKK-RTWAWAEBSA-N 2 1 383.511 3.963 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)CC2CCCCC2)CC1 ZINC001236759307 1041876261 /nfs/dbraw/zinc/87/62/61/1041876261.db2.gz SGVXNZAJVHMWGX-SOAUALDESA-N 3 1 398.639 3.744 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@H](Sc4ccc(F)cc4)C3)c2)CC1 ZINC001236893170 1041942711 /nfs/dbraw/zinc/94/27/11/1041942711.db2.gz JSLYSNVGTQFDSJ-QFIPXVFZSA-N 2 1 385.552 3.944 20 0 GHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001236896847 1041944590 /nfs/dbraw/zinc/94/45/90/1041944590.db2.gz ZRWKGOSEEYCEJK-QHCPKHFHSA-N 2 1 393.531 3.562 20 0 GHADMP COC1(c2ccccc2)CC[NH+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236965701 1041971980 /nfs/dbraw/zinc/97/19/80/1041971980.db2.gz CBRHNLNXHVLLBA-UHFFFAOYSA-N 2 1 397.538 3.715 20 0 GHADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@@H]2C1 ZINC001237031692 1041997632 /nfs/dbraw/zinc/99/76/32/1041997632.db2.gz WVOHURPWPIOHHQ-IYBDPMFKSA-N 2 1 377.410 3.641 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@@H]2C1 ZINC001237031692 1041997635 /nfs/dbraw/zinc/99/76/35/1041997635.db2.gz WVOHURPWPIOHHQ-IYBDPMFKSA-N 2 1 377.410 3.641 20 0 GHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@@H]2C1 ZINC001237031692 1041997642 /nfs/dbraw/zinc/99/76/42/1041997642.db2.gz WVOHURPWPIOHHQ-IYBDPMFKSA-N 2 1 377.410 3.641 20 0 GHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@@H]2C1 ZINC001237031692 1041997643 /nfs/dbraw/zinc/99/76/43/1041997643.db2.gz WVOHURPWPIOHHQ-IYBDPMFKSA-N 2 1 377.410 3.641 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001237191052 1042086344 /nfs/dbraw/zinc/08/63/44/1042086344.db2.gz JNTPLVRDHRXXCA-HRAATJIYSA-N 2 1 388.506 3.757 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)ccc2[nH]1 ZINC001237307716 1042137077 /nfs/dbraw/zinc/13/70/77/1042137077.db2.gz PFXIXOIXZXCPLM-UHFFFAOYSA-N 2 1 381.520 3.795 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)ccc2[nH]1 ZINC001237307716 1042137080 /nfs/dbraw/zinc/13/70/80/1042137080.db2.gz PFXIXOIXZXCPLM-UHFFFAOYSA-N 2 1 381.520 3.795 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ccccn3n1)CC2 ZINC001237447022 1042210589 /nfs/dbraw/zinc/21/05/89/1042210589.db2.gz PTABSTKOEKBPCB-HXUWFJFHSA-N 2 1 396.560 3.651 20 0 GHADMP Fc1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)c(F)c1 ZINC001237667838 1042313568 /nfs/dbraw/zinc/31/35/68/1042313568.db2.gz WECTWGQJZSXZCL-UHFFFAOYSA-N 2 1 385.502 3.845 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cc21 ZINC001237876982 1042405293 /nfs/dbraw/zinc/40/52/93/1042405293.db2.gz LCNHAGVCAPPYCH-FGZHOGPDSA-N 2 1 388.559 3.647 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4[C@H](NC(=O)OC(C)(C)C)[C@@H]4C3)cc21 ZINC001237876547 1042405606 /nfs/dbraw/zinc/40/56/06/1042405606.db2.gz GRAJLRLZRPGLDE-CEQLMSFQSA-N 2 1 383.536 3.643 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cnc(F)cc1Cl)CC2 ZINC001238022138 1042462735 /nfs/dbraw/zinc/46/27/35/1042462735.db2.gz PXQFTKFNFOUPEJ-MRXNPFEDSA-N 2 1 393.890 3.723 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cncc(C5CC5)c4)CC3)C2)cc1 ZINC001238184040 1042511547 /nfs/dbraw/zinc/51/15/47/1042511547.db2.gz HVIYUODIEKZPTB-UHFFFAOYSA-N 2 1 377.532 3.826 20 0 GHADMP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(Cl)c(C(C)C)c3)CC[C@@H]2C1 ZINC001238223420 1042524121 /nfs/dbraw/zinc/52/41/21/1042524121.db2.gz OLUFUUDEORXBJM-WIYYLYMNSA-N 2 1 380.960 3.633 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(Cl)c(C(C)C)c3)CC[C@@H]2C1 ZINC001238223420 1042524124 /nfs/dbraw/zinc/52/41/24/1042524124.db2.gz OLUFUUDEORXBJM-WIYYLYMNSA-N 2 1 380.960 3.633 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(Cl)c(C(C)C)c3)CC[C@@H]2C1 ZINC001238223420 1042524125 /nfs/dbraw/zinc/52/41/25/1042524125.db2.gz OLUFUUDEORXBJM-WIYYLYMNSA-N 2 1 380.960 3.633 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(Cl)c(C(C)C)c3)CC[C@@H]2C1 ZINC001238223420 1042524126 /nfs/dbraw/zinc/52/41/26/1042524126.db2.gz OLUFUUDEORXBJM-WIYYLYMNSA-N 2 1 380.960 3.633 20 0 GHADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CC1=CSC(=C3SC=CS3)S1)C2 ZINC001278223318 1042570437 /nfs/dbraw/zinc/57/04/37/1042570437.db2.gz SANTWTPNVMCWQK-KGLIPLIRSA-N 2 1 399.676 3.953 20 0 GHADMP CCOc1ncc(Br)cc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001238443848 1042597949 /nfs/dbraw/zinc/59/79/49/1042597949.db2.gz JMKDBMKVSRPVHH-UHFFFAOYSA-N 2 1 382.346 3.551 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1F ZINC001238455718 1042600856 /nfs/dbraw/zinc/60/08/56/1042600856.db2.gz IQZVNYQMAKPPNI-RTWAWAEBSA-N 2 1 383.511 3.962 20 0 GHADMP CC(C)Oc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccc1F ZINC001238455718 1042600858 /nfs/dbraw/zinc/60/08/58/1042600858.db2.gz IQZVNYQMAKPPNI-RTWAWAEBSA-N 2 1 383.511 3.962 20 0 GHADMP CC(C)Oc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccc1F ZINC001238455718 1042600860 /nfs/dbraw/zinc/60/08/60/1042600860.db2.gz IQZVNYQMAKPPNI-RTWAWAEBSA-N 2 1 383.511 3.962 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(F)cn1 ZINC001238728410 1042704617 /nfs/dbraw/zinc/70/46/17/1042704617.db2.gz NXLCSGHOTWGKKL-UHFFFAOYSA-N 2 1 398.526 3.891 20 0 GHADMP C[NH+]1CCN(Cc2ccc(-c3ccc4c(c3)C3(CC4)CC[NH2+]CC3)cc2)CC1 ZINC001240402856 1042926751 /nfs/dbraw/zinc/92/67/51/1042926751.db2.gz WLYMWRJTOIAMAN-UHFFFAOYSA-N 2 1 375.560 3.668 20 0 GHADMP CC[C@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001291620228 1043360680 /nfs/dbraw/zinc/36/06/80/1043360680.db2.gz HPIFQNNPNZNWAS-IBGZPJMESA-N 2 1 390.620 3.587 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525464 1043453087 /nfs/dbraw/zinc/45/30/87/1043453087.db2.gz ZVINCHNBCIZHQC-ZSXPUABSSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525464 1043453095 /nfs/dbraw/zinc/45/30/95/1043453095.db2.gz ZVINCHNBCIZHQC-ZSXPUABSSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256531553 1043463670 /nfs/dbraw/zinc/46/36/70/1043463670.db2.gz TXFCXUACSWMVCI-DENIHFKCSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256531553 1043463683 /nfs/dbraw/zinc/46/36/83/1043463683.db2.gz TXFCXUACSWMVCI-DENIHFKCSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536088 1043476123 /nfs/dbraw/zinc/47/61/23/1043476123.db2.gz CDYYYBQNVOHPQO-JKLQHZFJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256536088 1043476125 /nfs/dbraw/zinc/47/61/25/1043476125.db2.gz CDYYYBQNVOHPQO-JKLQHZFJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536088 1043476136 /nfs/dbraw/zinc/47/61/36/1043476136.db2.gz CDYYYBQNVOHPQO-JKLQHZFJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536088 1043476143 /nfs/dbraw/zinc/47/61/43/1043476143.db2.gz CDYYYBQNVOHPQO-JKLQHZFJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535250 1043476217 /nfs/dbraw/zinc/47/62/17/1043476217.db2.gz YJNXKDQLNIHKCJ-IRLDBZIGSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256535250 1043476224 /nfs/dbraw/zinc/47/62/24/1043476224.db2.gz YJNXKDQLNIHKCJ-IRLDBZIGSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C23CC(NC(=O)OC(C)(C)C)(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256537000 1043483870 /nfs/dbraw/zinc/48/38/70/1043483870.db2.gz KKPGQFDOJSGUGK-SWIMNWDESA-N 2 1 385.552 3.829 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C23CC(NC(=O)OC(C)(C)C)(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256537000 1043483883 /nfs/dbraw/zinc/48/38/83/1043483883.db2.gz KKPGQFDOJSGUGK-SWIMNWDESA-N 2 1 385.552 3.829 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[NH+](Cc2cccnc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256539663 1043486487 /nfs/dbraw/zinc/48/64/87/1043486487.db2.gz DIQUNKQJDSFUEG-QPPBQGQZSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[N@H+](Cc2cccnc2)C3)CC[NH+]1Cc1ccccc1 ZINC001256539663 1043486503 /nfs/dbraw/zinc/48/65/03/1043486503.db2.gz DIQUNKQJDSFUEG-QPPBQGQZSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)CC[NH+]1Cc1ccccc1 ZINC001256539663 1043486534 /nfs/dbraw/zinc/48/65/34/1043486534.db2.gz DIQUNKQJDSFUEG-QPPBQGQZSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541157 1043491402 /nfs/dbraw/zinc/49/14/02/1043491402.db2.gz KYZDZWIZFDRAGP-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256541157 1043491404 /nfs/dbraw/zinc/49/14/04/1043491404.db2.gz KYZDZWIZFDRAGP-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256541157 1043491405 /nfs/dbraw/zinc/49/14/05/1043491405.db2.gz KYZDZWIZFDRAGP-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256541157 1043491406 /nfs/dbraw/zinc/49/14/06/1043491406.db2.gz KYZDZWIZFDRAGP-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542303 1043493320 /nfs/dbraw/zinc/49/33/20/1043493320.db2.gz OCTLZNJFGOAUOK-JFZIVLOISA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256542303 1043493342 /nfs/dbraw/zinc/49/33/42/1043493342.db2.gz OCTLZNJFGOAUOK-JFZIVLOISA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542303 1043493354 /nfs/dbraw/zinc/49/33/54/1043493354.db2.gz OCTLZNJFGOAUOK-JFZIVLOISA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542303 1043493373 /nfs/dbraw/zinc/49/33/73/1043493373.db2.gz OCTLZNJFGOAUOK-JFZIVLOISA-N 2 1 399.579 3.742 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256550682 1043514118 /nfs/dbraw/zinc/51/41/18/1043514118.db2.gz NFFBLPLTXBOOMA-ODGPQVTHSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256550682 1043514129 /nfs/dbraw/zinc/51/41/29/1043514129.db2.gz NFFBLPLTXBOOMA-ODGPQVTHSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256550682 1043514136 /nfs/dbraw/zinc/51/41/36/1043514136.db2.gz NFFBLPLTXBOOMA-ODGPQVTHSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256550682 1043514148 /nfs/dbraw/zinc/51/41/48/1043514148.db2.gz NFFBLPLTXBOOMA-ODGPQVTHSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](CCc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256551465 1043515875 /nfs/dbraw/zinc/51/58/75/1043515875.db2.gz SANWJHNMDRHHSI-IRLDBZIGSA-N 2 1 383.605 3.961 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256559220 1043532123 /nfs/dbraw/zinc/53/21/23/1043532123.db2.gz ZIOYFURVEWKBME-SIKLNZKXSA-N 3 1 394.563 3.702 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256559220 1043532134 /nfs/dbraw/zinc/53/21/34/1043532134.db2.gz ZIOYFURVEWKBME-SIKLNZKXSA-N 2 1 394.563 3.702 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256559220 1043532136 /nfs/dbraw/zinc/53/21/36/1043532136.db2.gz ZIOYFURVEWKBME-SIKLNZKXSA-N 2 1 394.563 3.702 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559021 1043533531 /nfs/dbraw/zinc/53/35/31/1043533531.db2.gz XSEYAMRIOPQZMP-CDIGIKMISA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559021 1043533545 /nfs/dbraw/zinc/53/35/45/1043533545.db2.gz XSEYAMRIOPQZMP-CDIGIKMISA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559021 1043533549 /nfs/dbraw/zinc/53/35/49/1043533549.db2.gz XSEYAMRIOPQZMP-CDIGIKMISA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559021 1043533551 /nfs/dbraw/zinc/53/35/51/1043533551.db2.gz XSEYAMRIOPQZMP-CDIGIKMISA-N 2 1 392.543 3.928 20 0 GHADMP [NH3+]C1(Cc2ccccc2Cl)CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256585325 1043555106 /nfs/dbraw/zinc/55/51/06/1043555106.db2.gz ISUSGNPUUJLEPO-UHFFFAOYSA-N 2 1 398.982 3.735 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]23CCN(C2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001256595552 1043562395 /nfs/dbraw/zinc/56/23/95/1043562395.db2.gz DJAPAKKHFSKWMB-VWLOTQADSA-N 2 1 390.575 3.787 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]23CCN(C2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001256595552 1043562402 /nfs/dbraw/zinc/56/24/02/1043562402.db2.gz DJAPAKKHFSKWMB-VWLOTQADSA-N 2 1 390.575 3.787 20 0 GHADMP O=C(Nc1ccccc1)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256599276 1043562971 /nfs/dbraw/zinc/56/29/71/1043562971.db2.gz OURYIYAROXCMPQ-UHFFFAOYSA-N 2 1 392.547 3.937 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001256600795 1043564234 /nfs/dbraw/zinc/56/42/34/1043564234.db2.gz LHNOCUDYPBCWCL-QHCPKHFHSA-N 2 1 379.548 3.524 20 0 GHADMP Cc1ccnc(C2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCOCC2)c1 ZINC001256601454 1043565525 /nfs/dbraw/zinc/56/55/25/1043565525.db2.gz ZTFPUVPGHKGMQX-UHFFFAOYSA-N 2 1 379.548 3.692 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3CCC([NH+]4CCOCC4)CC3)C[C@@H]21 ZINC001256695357 1043627259 /nfs/dbraw/zinc/62/72/59/1043627259.db2.gz XMYKYJYBDYJFHR-KZGSZHBFSA-N 3 1 397.607 3.740 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)C[C@@H]21 ZINC001256695357 1043627264 /nfs/dbraw/zinc/62/72/64/1043627264.db2.gz XMYKYJYBDYJFHR-KZGSZHBFSA-N 3 1 397.607 3.740 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)C[C@@H]21 ZINC001256695357 1043627271 /nfs/dbraw/zinc/62/72/71/1043627271.db2.gz XMYKYJYBDYJFHR-KZGSZHBFSA-N 3 1 397.607 3.740 20 0 GHADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3CCC(N4CCOCC4)CC3)C[C@@H]21 ZINC001256695357 1043627274 /nfs/dbraw/zinc/62/72/74/1043627274.db2.gz XMYKYJYBDYJFHR-KZGSZHBFSA-N 2 1 397.607 3.740 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3CCC(N4CCOCC4)CC3)C[C@@H]21 ZINC001256695357 1043627283 /nfs/dbraw/zinc/62/72/83/1043627283.db2.gz XMYKYJYBDYJFHR-KZGSZHBFSA-N 2 1 397.607 3.740 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C3CCC(N4CCOCC4)CC3)C[C@@H]21 ZINC001256695357 1043627288 /nfs/dbraw/zinc/62/72/88/1043627288.db2.gz XMYKYJYBDYJFHR-KZGSZHBFSA-N 2 1 397.607 3.740 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C3CCC(N4CCOCC4)CC3)C[C@@H]21 ZINC001256695357 1043627294 /nfs/dbraw/zinc/62/72/94/1043627294.db2.gz XMYKYJYBDYJFHR-KZGSZHBFSA-N 2 1 397.607 3.740 20 0 GHADMP C[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001256855789 1043704687 /nfs/dbraw/zinc/70/46/87/1043704687.db2.gz VYPFLUZMRWTPDM-MSOLQXFVSA-N 2 1 388.556 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856886 1043704945 /nfs/dbraw/zinc/70/49/45/1043704945.db2.gz NHLIAGVFXUGYSA-QUCCMNQESA-N 2 1 386.540 3.524 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894073 1043725759 /nfs/dbraw/zinc/72/57/59/1043725759.db2.gz DMXHWSICYUWFIE-RDJZCZTQSA-N 2 1 387.515 3.628 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894073 1043725766 /nfs/dbraw/zinc/72/57/66/1043725766.db2.gz DMXHWSICYUWFIE-RDJZCZTQSA-N 2 1 387.515 3.628 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256900367 1043730158 /nfs/dbraw/zinc/73/01/58/1043730158.db2.gz MWRLIEFNEPDCSC-AOIWGVFYSA-N 2 1 383.552 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256900367 1043730169 /nfs/dbraw/zinc/73/01/69/1043730169.db2.gz MWRLIEFNEPDCSC-AOIWGVFYSA-N 2 1 383.552 3.578 20 0 GHADMP CCCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292563474 1043788694 /nfs/dbraw/zinc/78/86/94/1043788694.db2.gz SEXIUSKWWSEAQA-JTHBVZDNSA-N 2 1 394.563 3.657 20 0 GHADMP CCCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292563474 1043788705 /nfs/dbraw/zinc/78/87/05/1043788705.db2.gz SEXIUSKWWSEAQA-JTHBVZDNSA-N 2 1 394.563 3.657 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160832 1043906840 /nfs/dbraw/zinc/90/68/40/1043906840.db2.gz RDIPIUKYGPHZAN-DZFGPLHGSA-N 2 1 398.572 3.920 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160832 1043906846 /nfs/dbraw/zinc/90/68/46/1043906846.db2.gz RDIPIUKYGPHZAN-DZFGPLHGSA-N 2 1 398.572 3.920 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160832 1043906849 /nfs/dbraw/zinc/90/68/49/1043906849.db2.gz RDIPIUKYGPHZAN-DZFGPLHGSA-N 2 1 398.572 3.920 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001257160832 1043906851 /nfs/dbraw/zinc/90/68/51/1043906851.db2.gz RDIPIUKYGPHZAN-DZFGPLHGSA-N 2 1 398.572 3.920 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206435 1043936694 /nfs/dbraw/zinc/93/66/94/1043936694.db2.gz TWYQAYAKLRZSCB-WCIQWLHISA-N 2 1 379.589 3.684 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206435 1043936696 /nfs/dbraw/zinc/93/66/96/1043936696.db2.gz TWYQAYAKLRZSCB-WCIQWLHISA-N 2 1 379.589 3.684 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206435 1043936697 /nfs/dbraw/zinc/93/66/97/1043936697.db2.gz TWYQAYAKLRZSCB-WCIQWLHISA-N 2 1 379.589 3.684 20 0 GHADMP CC(C)N1CCC([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001257218058 1043940295 /nfs/dbraw/zinc/94/02/95/1043940295.db2.gz XWMPIELNUDNVBG-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001257218058 1043940306 /nfs/dbraw/zinc/94/03/06/1043940306.db2.gz XWMPIELNUDNVBG-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CNC(=O)N[C@H]1CC2(CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c2ccc(C)cc21 ZINC001257215507 1043940350 /nfs/dbraw/zinc/94/03/50/1043940350.db2.gz DWNHOXXHBTYTDV-QFIPXVFZSA-N 2 1 398.595 3.575 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C2)CC1 ZINC001257497026 1044021470 /nfs/dbraw/zinc/02/14/70/1044021470.db2.gz YSGQFZHIHYVSGV-UHFFFAOYSA-N 2 1 376.585 3.896 20 0 GHADMP COC(=O)c1cccc(C[N@H+](C2CCC3(COC3)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001257904459 1044253823 /nfs/dbraw/zinc/25/38/23/1044253823.db2.gz WHQBCALGWDNYSV-MXVIHJGJSA-N 2 1 386.536 3.504 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001293663141 1044283300 /nfs/dbraw/zinc/28/33/00/1044283300.db2.gz IQARKPDDXYNIOV-OIBXWCBGSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001293663141 1044283314 /nfs/dbraw/zinc/28/33/14/1044283314.db2.gz IQARKPDDXYNIOV-OIBXWCBGSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001293663141 1044283328 /nfs/dbraw/zinc/28/33/28/1044283328.db2.gz IQARKPDDXYNIOV-OIBXWCBGSA-N 2 1 383.580 3.905 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014226 1044341764 /nfs/dbraw/zinc/34/17/64/1044341764.db2.gz GEFXCGHOPPZAMX-OYDLWJJNSA-N 2 1 384.612 3.734 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+](C2CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258017628 1044344278 /nfs/dbraw/zinc/34/42/78/1044344278.db2.gz CIDZNJLRJAGDQZ-FQEVSTJZSA-N 2 1 379.589 3.971 20 0 GHADMP CCOC(=O)CCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001258121048 1044408521 /nfs/dbraw/zinc/40/85/21/1044408521.db2.gz HQCNCTNHFJVJBG-QGZVFWFLSA-N 2 1 391.556 3.844 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136019 1044421102 /nfs/dbraw/zinc/42/11/02/1044421102.db2.gz XNKNNGRJGVPDSP-UHFFFAOYSA-N 2 1 389.584 3.834 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H](C)CCSC)CC2 ZINC001258218074 1044475987 /nfs/dbraw/zinc/47/59/87/1044475987.db2.gz URYXMEJBEZXLMX-QUCCMNQESA-N 2 1 377.598 3.526 20 0 GHADMP Clc1ccccc1N1CCC([N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)CC1 ZINC001258543131 1044618384 /nfs/dbraw/zinc/61/83/84/1044618384.db2.gz MEEINWPCCYHYAS-KDURUIRLSA-N 2 1 396.966 3.768 20 0 GHADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258838250 1044782830 /nfs/dbraw/zinc/78/28/30/1044782830.db2.gz RVSFFCHMSOPIFL-HKBOAZHASA-N 2 1 387.568 3.539 20 0 GHADMP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258838250 1044782842 /nfs/dbraw/zinc/78/28/42/1044782842.db2.gz RVSFFCHMSOPIFL-HKBOAZHASA-N 2 1 387.568 3.539 20 0 GHADMP COc1cc(C[C@@H](C)[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc(OC)c1OC ZINC001258878491 1044828711 /nfs/dbraw/zinc/82/87/11/1044828711.db2.gz TZIBJLGJTBOBMM-QGZVFWFLSA-N 2 1 376.541 3.594 20 0 GHADMP CCOC[C@H]1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)Cc2nn(CC3CC3)cc21 ZINC001258909029 1044861209 /nfs/dbraw/zinc/86/12/09/1044861209.db2.gz BTZCGKFRSWRBOR-UYAOXDASSA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)Cc2nn(CC3CC3)cc21 ZINC001258909029 1044861228 /nfs/dbraw/zinc/86/12/28/1044861228.db2.gz BTZCGKFRSWRBOR-UYAOXDASSA-N 2 1 376.589 3.739 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001296000636 1045217724 /nfs/dbraw/zinc/21/77/24/1045217724.db2.gz ZNUJQKZIOIMEDQ-RBUKOAKNSA-N 2 1 390.620 3.583 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001296046567 1045233411 /nfs/dbraw/zinc/23/34/11/1045233411.db2.gz UMZRXSOQPBHAEC-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP CC[N@H+]1CCN(c2nnc(-c3ccccc3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001296154882 1045267717 /nfs/dbraw/zinc/26/77/17/1045267717.db2.gz QFXBKECIIOQTHT-FQEVSTJZSA-N 2 1 398.599 3.594 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001296551315 1045335873 /nfs/dbraw/zinc/33/58/73/1045335873.db2.gz ARPJQMQZWDOSFB-OAQYLSRUSA-N 2 1 375.532 3.515 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001296551315 1045335882 /nfs/dbraw/zinc/33/58/82/1045335882.db2.gz ARPJQMQZWDOSFB-OAQYLSRUSA-N 2 1 375.532 3.515 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001298317929 1045772310 /nfs/dbraw/zinc/77/23/10/1045772310.db2.gz FQYKVYODATUGCK-NFBKMPQASA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)c1 ZINC001298317929 1045772316 /nfs/dbraw/zinc/77/23/16/1045772316.db2.gz FQYKVYODATUGCK-NFBKMPQASA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)c1 ZINC001298317929 1045772319 /nfs/dbraw/zinc/77/23/19/1045772319.db2.gz FQYKVYODATUGCK-NFBKMPQASA-N 2 1 383.580 3.682 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC001261220825 1045927854 /nfs/dbraw/zinc/92/78/54/1045927854.db2.gz AKAXHIYTEBQAES-ZSJMHYJMSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]([NH3+])c1ccccc1 ZINC001261502746 1046011503 /nfs/dbraw/zinc/01/15/03/1046011503.db2.gz XDSWUOYZDRWXPU-AOMKIAJQSA-N 2 1 391.519 3.823 20 0 GHADMP CCN(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001302569658 1046982239 /nfs/dbraw/zinc/98/22/39/1046982239.db2.gz JZDMXELZUMJLEY-PKTZIBPZSA-N 2 1 379.548 3.850 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC001302569658 1046982242 /nfs/dbraw/zinc/98/22/42/1046982242.db2.gz JZDMXELZUMJLEY-PKTZIBPZSA-N 2 1 379.548 3.850 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC001302569658 1046982248 /nfs/dbraw/zinc/98/22/48/1046982248.db2.gz JZDMXELZUMJLEY-PKTZIBPZSA-N 2 1 379.548 3.850 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001302569658 1046982257 /nfs/dbraw/zinc/98/22/57/1046982257.db2.gz JZDMXELZUMJLEY-PKTZIBPZSA-N 2 1 379.548 3.850 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000390775291 1047512501 /nfs/dbraw/zinc/51/25/01/1047512501.db2.gz OBVRKWXJZCKVKJ-CEMLEFRQSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001304001645 1047558126 /nfs/dbraw/zinc/55/81/26/1047558126.db2.gz FBHVDDDCCIAAPR-NFBKMPQASA-N 2 1 385.596 3.518 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001304001645 1047558129 /nfs/dbraw/zinc/55/81/29/1047558129.db2.gz FBHVDDDCCIAAPR-NFBKMPQASA-N 2 1 385.596 3.518 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(SC)cc3)CC2)C1 ZINC001279188158 1047739339 /nfs/dbraw/zinc/73/93/39/1047739339.db2.gz GGNLFPNTJWZVPN-UHFFFAOYSA-N 2 1 378.582 3.707 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(SC)cc3)CC2)C1 ZINC001279188158 1047739349 /nfs/dbraw/zinc/73/93/49/1047739349.db2.gz GGNLFPNTJWZVPN-UHFFFAOYSA-N 2 1 378.582 3.707 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC001279274995 1047753630 /nfs/dbraw/zinc/75/36/30/1047753630.db2.gz AGSQRCCQTITQDZ-UHFFFAOYSA-N 2 1 376.614 3.615 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001279274995 1047753633 /nfs/dbraw/zinc/75/36/33/1047753633.db2.gz AGSQRCCQTITQDZ-UHFFFAOYSA-N 3 1 376.614 3.615 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001279274995 1047753638 /nfs/dbraw/zinc/75/36/38/1047753638.db2.gz AGSQRCCQTITQDZ-UHFFFAOYSA-N 3 1 376.614 3.615 20 0 GHADMP COCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4scnc4C)CC[C@@H]3C2)o1 ZINC001279306048 1047761898 /nfs/dbraw/zinc/76/18/98/1047761898.db2.gz CDQNHXHLUVTFGO-CALCHBBNSA-N 2 1 375.538 3.535 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)o1 ZINC001279306048 1047761901 /nfs/dbraw/zinc/76/19/01/1047761901.db2.gz CDQNHXHLUVTFGO-CALCHBBNSA-N 2 1 375.538 3.535 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)o1 ZINC001279306048 1047761908 /nfs/dbraw/zinc/76/19/08/1047761908.db2.gz CDQNHXHLUVTFGO-CALCHBBNSA-N 2 1 375.538 3.535 20 0 GHADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001279392432 1047791414 /nfs/dbraw/zinc/79/14/14/1047791414.db2.gz VWBFLRAABTYUEL-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001279392432 1047791420 /nfs/dbraw/zinc/79/14/20/1047791420.db2.gz VWBFLRAABTYUEL-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)nc1 ZINC001279392432 1047791428 /nfs/dbraw/zinc/79/14/28/1047791428.db2.gz VWBFLRAABTYUEL-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cc(C(F)(F)F)ccc1Cl)C2 ZINC001279452385 1047814481 /nfs/dbraw/zinc/81/44/81/1047814481.db2.gz GVIRGVHEVGINFY-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1Cl)C2 ZINC001279452385 1047814491 /nfs/dbraw/zinc/81/44/91/1047814491.db2.gz GVIRGVHEVGINFY-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP CS[C@H](C)CC[N@H+]1Cc2ccccc2C2(CCN(CC[NH+](C)C)CC2)C1 ZINC001279485843 1047822135 /nfs/dbraw/zinc/82/21/35/1047822135.db2.gz JUJWXNVIGQOIII-LJQANCHMSA-N 2 1 375.626 3.539 20 0 GHADMP CS[C@H](C)CC[N@@H+]1Cc2ccccc2C2(CC[NH+](CCN(C)C)CC2)C1 ZINC001279485843 1047822140 /nfs/dbraw/zinc/82/21/40/1047822140.db2.gz JUJWXNVIGQOIII-LJQANCHMSA-N 2 1 375.626 3.539 20 0 GHADMP CS[C@H](C)CC[N@H+]1Cc2ccccc2C2(CC[NH+](CCN(C)C)CC2)C1 ZINC001279485843 1047822151 /nfs/dbraw/zinc/82/21/51/1047822151.db2.gz JUJWXNVIGQOIII-LJQANCHMSA-N 2 1 375.626 3.539 20 0 GHADMP Clc1ncnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279503458 1047827209 /nfs/dbraw/zinc/82/72/09/1047827209.db2.gz GOULZGYNSJQHDY-UHFFFAOYSA-N 2 1 380.323 3.600 20 0 GHADMP Cc1csc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c1Cl ZINC001279657927 1047900996 /nfs/dbraw/zinc/90/09/96/1047900996.db2.gz OYLUCFOFTRWQKF-CALCHBBNSA-N 2 1 378.973 3.750 20 0 GHADMP Cc1csc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c1Cl ZINC001279657927 1047900998 /nfs/dbraw/zinc/90/09/98/1047900998.db2.gz OYLUCFOFTRWQKF-CALCHBBNSA-N 2 1 378.973 3.750 20 0 GHADMP Cc1csc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c1Cl ZINC001279657927 1047901000 /nfs/dbraw/zinc/90/10/00/1047901000.db2.gz OYLUCFOFTRWQKF-CALCHBBNSA-N 2 1 378.973 3.750 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109412 1047907519 /nfs/dbraw/zinc/90/75/19/1047907519.db2.gz VGUYUKDRIAVYCR-YJMBLLCNSA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109412 1047907523 /nfs/dbraw/zinc/90/75/23/1047907523.db2.gz VGUYUKDRIAVYCR-YJMBLLCNSA-N 2 1 394.563 3.814 20 0 GHADMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(-c3cc(Cl)ccc3Cl)o1)C2 ZINC001279682035 1047912610 /nfs/dbraw/zinc/91/26/10/1047912610.db2.gz KGCKCZVRLVQVCQ-UHFFFAOYSA-N 2 1 394.346 3.933 20 0 GHADMP O=c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccsc2Cl)CC3)[nH]1 ZINC001279692593 1047917773 /nfs/dbraw/zinc/91/77/73/1047917773.db2.gz HMJGSXIJWLAKEF-UHFFFAOYSA-N 2 1 377.941 3.990 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3F)C[C@H]2CC1 ZINC001279804691 1047955368 /nfs/dbraw/zinc/95/53/68/1047955368.db2.gz ZCADZRQWUWFJNA-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3F)C[C@H]2CC1 ZINC001279804691 1047955372 /nfs/dbraw/zinc/95/53/72/1047955372.db2.gz ZCADZRQWUWFJNA-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3F)C[C@H]2CC1 ZINC001279804691 1047955376 /nfs/dbraw/zinc/95/53/76/1047955376.db2.gz ZCADZRQWUWFJNA-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001279954815 1048009098 /nfs/dbraw/zinc/00/90/98/1048009098.db2.gz QSYDSFTWFBVXFR-FOIQADDNSA-N 2 1 398.378 3.616 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001305417688 1048038023 /nfs/dbraw/zinc/03/80/23/1048038023.db2.gz ZOWQPBRNCHMLDS-VNTMZGSJSA-N 2 1 392.636 3.687 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)c(C)c3C)C[C@H]2CC1 ZINC001280081082 1048074375 /nfs/dbraw/zinc/07/43/75/1048074375.db2.gz MQAFMMHAYWEQNS-BGYRXZFFSA-N 2 1 380.960 3.721 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c(C)c3C)C[C@H]2CC1 ZINC001280081082 1048074392 /nfs/dbraw/zinc/07/43/92/1048074392.db2.gz MQAFMMHAYWEQNS-BGYRXZFFSA-N 2 1 380.960 3.721 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c(C)c3C)C[C@H]2CC1 ZINC001280081082 1048074406 /nfs/dbraw/zinc/07/44/06/1048074406.db2.gz MQAFMMHAYWEQNS-BGYRXZFFSA-N 2 1 380.960 3.721 20 0 GHADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001280155950 1048108427 /nfs/dbraw/zinc/10/84/27/1048108427.db2.gz CWPOYELNXXKSTK-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CSc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001280155950 1048108435 /nfs/dbraw/zinc/10/84/35/1048108435.db2.gz CWPOYELNXXKSTK-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CSc1ccc(Cl)cc1C[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001280155950 1048108443 /nfs/dbraw/zinc/10/84/43/1048108443.db2.gz CWPOYELNXXKSTK-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CSc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001280155950 1048108456 /nfs/dbraw/zinc/10/84/56/1048108456.db2.gz CWPOYELNXXKSTK-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001280155950 1048108468 /nfs/dbraw/zinc/10/84/68/1048108468.db2.gz CWPOYELNXXKSTK-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305602182 1048175775 /nfs/dbraw/zinc/17/57/75/1048175775.db2.gz ARPCBHIERBVHFX-IBGZPJMESA-N 2 1 392.636 3.690 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC001306178836 1048495916 /nfs/dbraw/zinc/49/59/16/1048495916.db2.gz KXDUHHIYNQTKHS-ZVDOUQERSA-N 2 1 383.561 3.694 20 0 GHADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC001307627079 1049458954 /nfs/dbraw/zinc/45/89/54/1049458954.db2.gz UIUOJVFAWIRIRQ-ISKFKSNPSA-N 2 1 384.564 3.887 20 0 GHADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC001307627079 1049458971 /nfs/dbraw/zinc/45/89/71/1049458971.db2.gz UIUOJVFAWIRIRQ-ISKFKSNPSA-N 2 1 384.564 3.887 20 0 GHADMP CC[C@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccccc1 ZINC001307633307 1049464196 /nfs/dbraw/zinc/46/41/96/1049464196.db2.gz RUQOMTATTFOIRE-VWLOTQADSA-N 2 1 393.575 3.944 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)[NH+](C)C)cc1 ZINC001290309104 1049797438 /nfs/dbraw/zinc/79/74/38/1049797438.db2.gz ISNBJJBPHBJXTF-SFTDATJTSA-N 2 1 387.955 3.924 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2(C)C)CC1 ZINC001308053183 1049800191 /nfs/dbraw/zinc/80/01/91/1049800191.db2.gz QFQOWVTYCVPRHO-FQEVSTJZSA-N 2 1 391.987 3.897 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC001290617856 1049887533 /nfs/dbraw/zinc/88/75/33/1049887533.db2.gz YSSLZKGADWWGGG-OAQYLSRUSA-N 2 1 385.939 3.682 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC001290617856 1049887540 /nfs/dbraw/zinc/88/75/40/1049887540.db2.gz YSSLZKGADWWGGG-OAQYLSRUSA-N 2 1 385.939 3.682 20 0 GHADMP COc1ccccc1/C=C\C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001308198435 1049909673 /nfs/dbraw/zinc/90/96/73/1049909673.db2.gz XOTGEEFWRHTSJY-JQJJQDGNSA-N 2 1 379.548 3.677 20 0 GHADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC001308207072 1049912493 /nfs/dbraw/zinc/91/24/93/1049912493.db2.gz JCLLVPVXGIFFMC-PZJWPPBQSA-N 2 1 387.568 3.796 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001308344574 1049953902 /nfs/dbraw/zinc/95/39/02/1049953902.db2.gz PEQYLJOJGRZFOI-IBGZPJMESA-N 2 1 394.437 3.832 20 0 GHADMP CCCn1c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nc2ccccc21 ZINC001308344312 1049953944 /nfs/dbraw/zinc/95/39/44/1049953944.db2.gz DXWTUHFTZCTIMI-OAQYLSRUSA-N 2 1 392.547 3.693 20 0 GHADMP CCCn1c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)nc2ccccc21 ZINC001308344312 1049953945 /nfs/dbraw/zinc/95/39/45/1049953945.db2.gz DXWTUHFTZCTIMI-OAQYLSRUSA-N 2 1 392.547 3.693 20 0 GHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC001308625030 1050037361 /nfs/dbraw/zinc/03/73/61/1050037361.db2.gz WYGCGRPSCJGHBN-SOFGYWHQSA-N 2 1 383.511 3.602 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CC1 ZINC001308946740 1050207210 /nfs/dbraw/zinc/20/72/10/1050207210.db2.gz VTFRNKZIRVXVEM-GOSISDBHSA-N 2 1 393.494 3.781 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001331452292 1051284412 /nfs/dbraw/zinc/28/44/12/1051284412.db2.gz LPTPHZPIEROUNY-FQEVSTJZSA-N 2 1 398.595 3.736 20 0 GHADMP CCN(C(=O)c1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001332152830 1051468016 /nfs/dbraw/zinc/46/80/16/1051468016.db2.gz XINZVHGNEYMBGI-FDDCHVKYSA-N 2 1 377.532 3.630 20 0 GHADMP Cc1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(=S)n1-c1ccccc1C ZINC001334727185 1051969128 /nfs/dbraw/zinc/96/91/28/1051969128.db2.gz ZHDNOUSBFWUVDK-FHWLQOOXSA-N 2 1 385.581 3.640 20 0 GHADMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(=S)n1-c1ccccc1C ZINC001334727185 1051969130 /nfs/dbraw/zinc/96/91/30/1051969130.db2.gz ZHDNOUSBFWUVDK-FHWLQOOXSA-N 2 1 385.581 3.640 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001311396379 1052090343 /nfs/dbraw/zinc/09/03/43/1052090343.db2.gz NMXGZKTUYZWNGN-SIKLNZKXSA-N 2 1 386.584 3.585 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC001335893960 1052199458 /nfs/dbraw/zinc/19/94/58/1052199458.db2.gz YIGGMVWLGLJMIB-IBGZPJMESA-N 2 1 385.895 3.501 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001311587391 1052266382 /nfs/dbraw/zinc/26/63/82/1052266382.db2.gz AKRDYSCLXMKSEB-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001312641429 1052821477 /nfs/dbraw/zinc/82/14/77/1052821477.db2.gz AJWWFOPRANSNCS-SFTDATJTSA-N 2 1 388.600 3.879 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC)C2)[NH+](CC)CC)cc1 ZINC001312785228 1052869258 /nfs/dbraw/zinc/86/92/58/1052869258.db2.gz DWFQEJAEANSGDB-IRLDBZIGSA-N 2 1 388.600 3.663 20 0 GHADMP [NH3+]C[C@@H]1CCCC12CCN(C(=O)[C@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CC2 ZINC001342760639 1053342249 /nfs/dbraw/zinc/34/22/49/1053342249.db2.gz FJEDSPVKJRIWOH-PMACEKPBSA-N 2 1 398.595 3.861 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccc2c(n1)C[NH2+]CC2)C1CCCCC1 ZINC001343354201 1053722645 /nfs/dbraw/zinc/72/26/45/1053722645.db2.gz NXKLTPGGFMETQV-UHFFFAOYSA-N 2 1 378.520 3.744 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001343394311 1053746262 /nfs/dbraw/zinc/74/62/62/1053746262.db2.gz LRDWVOBXLPXTSB-VXKWHMMOSA-N 2 1 383.580 3.575 20 0 GHADMP Cc1c(C(=O)O[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC001344022496 1054195722 /nfs/dbraw/zinc/19/57/22/1054195722.db2.gz NCALCHRTAZKVSN-QUCCMNQESA-N 2 1 390.487 3.643 20 0 GHADMP Cc1c(C(=O)O[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC001344022496 1054195732 /nfs/dbraw/zinc/19/57/32/1054195732.db2.gz NCALCHRTAZKVSN-QUCCMNQESA-N 2 1 390.487 3.643 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318371847 1054595939 /nfs/dbraw/zinc/59/59/39/1054595939.db2.gz NELKXKOPMHDNFW-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318371847 1054595941 /nfs/dbraw/zinc/59/59/41/1054595941.db2.gz NELKXKOPMHDNFW-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC001318671475 1054788558 /nfs/dbraw/zinc/78/85/58/1054788558.db2.gz KUPBRQLNSCBQIG-YLJYHZDGSA-N 2 1 392.975 3.603 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC001319925532 1055544523 /nfs/dbraw/zinc/54/45/23/1055544523.db2.gz XXHYMYDZWJOSJY-LJQANCHMSA-N 2 1 378.520 3.883 20 0 GHADMP Cc1c(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc2c[nH+]cn21 ZINC001319984011 1055579454 /nfs/dbraw/zinc/57/94/54/1055579454.db2.gz CACGHGJMEISYAG-HXUWFJFHSA-N 2 1 382.895 3.863 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001321170130 1056133280 /nfs/dbraw/zinc/13/32/80/1056133280.db2.gz NSWZNTDBDJKNLR-GOSISDBHSA-N 2 1 389.503 3.572 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001300786684 1057025511 /nfs/dbraw/zinc/02/55/11/1057025511.db2.gz XRAFQPNJTAHMEH-UNMCSNQZSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC001355311663 1057115703 /nfs/dbraw/zinc/11/57/03/1057115703.db2.gz UJRFWQXFIKAWJM-ZJSXRUAMSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001355311663 1057115706 /nfs/dbraw/zinc/11/57/06/1057115706.db2.gz UJRFWQXFIKAWJM-ZJSXRUAMSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001355311663 1057115708 /nfs/dbraw/zinc/11/57/08/1057115708.db2.gz UJRFWQXFIKAWJM-ZJSXRUAMSA-N 2 1 393.575 3.925 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)CC12CCOCC2 ZINC000848599710 1057197721 /nfs/dbraw/zinc/19/77/21/1057197721.db2.gz OWJQBKVPQLQDTI-OAHLLOKOSA-N 2 1 380.319 3.729 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)CC12CCOCC2 ZINC000848599710 1057197727 /nfs/dbraw/zinc/19/77/27/1057197727.db2.gz OWJQBKVPQLQDTI-OAHLLOKOSA-N 2 1 380.319 3.729 20 0 GHADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001325149986 1057281064 /nfs/dbraw/zinc/28/10/64/1057281064.db2.gz GVZMSGVIAXFTAV-LAUBAEHRSA-N 2 1 376.504 3.940 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC001326297491 1057451810 /nfs/dbraw/zinc/45/18/10/1057451810.db2.gz BNVBFJSHCKRDQS-SFHVURJKSA-N 2 1 377.532 3.637 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000848990079 1057495481 /nfs/dbraw/zinc/49/54/81/1057495481.db2.gz XLWDGRHMVCLMQA-IEBWSBKVSA-N 2 1 396.535 3.941 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000849084702 1057587127 /nfs/dbraw/zinc/58/71/27/1057587127.db2.gz HOJNVKLHMXTQIX-QFIPXVFZSA-N 2 1 394.563 3.654 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000849092437 1057592153 /nfs/dbraw/zinc/59/21/53/1057592153.db2.gz GBWIAEYSNCBQQX-HXUWFJFHSA-N 2 1 382.508 3.551 20 0 GHADMP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001440616947 1058548843 /nfs/dbraw/zinc/54/88/43/1058548843.db2.gz JRIHUPXVTNHBIZ-OAQYLSRUSA-N 2 1 375.532 3.561 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001440616947 1058548860 /nfs/dbraw/zinc/54/88/60/1058548860.db2.gz JRIHUPXVTNHBIZ-OAQYLSRUSA-N 2 1 375.532 3.561 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001440616947 1058548880 /nfs/dbraw/zinc/54/88/80/1058548880.db2.gz JRIHUPXVTNHBIZ-OAQYLSRUSA-N 2 1 375.532 3.561 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001440616947 1058548899 /nfs/dbraw/zinc/54/88/99/1058548899.db2.gz JRIHUPXVTNHBIZ-OAQYLSRUSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)C(C)(C)C ZINC001445194971 1059477569 /nfs/dbraw/zinc/47/75/69/1059477569.db2.gz WFZDZHQPBJKYOJ-MOPGFXCFSA-N 2 1 379.633 3.959 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)[C@@H]1c1cccs1 ZINC001340106383 1059701767 /nfs/dbraw/zinc/70/17/67/1059701767.db2.gz SVONPHUTHNBTKF-WSTZPKSXSA-N 2 1 389.609 3.807 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)cc1 ZINC001449261990 1060363530 /nfs/dbraw/zinc/36/35/30/1060363530.db2.gz DLOUNASFFTXEQY-YZGWKJHDSA-N 2 1 379.976 3.960 20 0 GHADMP Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001453212230 1061094342 /nfs/dbraw/zinc/09/43/42/1061094342.db2.gz RVMCDANLDKIJIB-INIZCTEOSA-N 2 1 375.582 3.828 20 0 GHADMP Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001453212230 1061094363 /nfs/dbraw/zinc/09/43/63/1061094363.db2.gz RVMCDANLDKIJIB-INIZCTEOSA-N 2 1 375.582 3.828 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccc(N4CCC(C[NH+](C)C)CC4)cc3)C[N@H+]2C1 ZINC001346034689 1061308182 /nfs/dbraw/zinc/30/81/82/1061308182.db2.gz SSFHWFVUGKHRJX-RFWXGWTQSA-N 2 1 398.595 3.524 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001456974546 1062935592 /nfs/dbraw/zinc/93/55/92/1062935592.db2.gz CDYCIOSPMHRALU-ZEQRLZLVSA-N 2 1 391.559 3.804 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC001457502045 1063213385 /nfs/dbraw/zinc/21/33/85/1063213385.db2.gz GGUNWSPZDIIFCU-XZOQPEGZSA-N 2 1 379.548 3.762 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC001458768265 1063934610 /nfs/dbraw/zinc/93/46/10/1063934610.db2.gz NGBKOHUKWWXQCS-UHFFFAOYSA-N 2 1 391.559 3.939 20 0 GHADMP O=C(C[N@H+](CCC(F)(F)F)CC1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001459613931 1064142996 /nfs/dbraw/zinc/14/29/96/1064142996.db2.gz ORSQZLRFJCJCBC-UHFFFAOYSA-N 2 1 397.485 3.563 20 0 GHADMP O=C(C[N@@H+](CCC(F)(F)F)CC1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001459613931 1064143003 /nfs/dbraw/zinc/14/30/03/1064143003.db2.gz ORSQZLRFJCJCBC-UHFFFAOYSA-N 2 1 397.485 3.563 20 0 GHADMP Cc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H]2CCc3ccccc32)cc1 ZINC001459747503 1064198888 /nfs/dbraw/zinc/19/88/88/1064198888.db2.gz HHJONAJHCHJEKZ-DEOSSOPVSA-N 2 1 391.559 3.695 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC001460040998 1064368731 /nfs/dbraw/zinc/36/87/31/1064368731.db2.gz SWRUWWCMYZAHQY-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001460040998 1064368743 /nfs/dbraw/zinc/36/87/43/1064368743.db2.gz SWRUWWCMYZAHQY-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001460040998 1064368758 /nfs/dbraw/zinc/36/87/58/1064368758.db2.gz SWRUWWCMYZAHQY-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001463694615 1064554997 /nfs/dbraw/zinc/55/49/97/1064554997.db2.gz TUFDSGUAIDLHIF-GOTSBHOMSA-N 2 1 379.548 3.769 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCC[C@@H](C)C4)cc3)C[N@H+]2C1 ZINC001464155223 1064870511 /nfs/dbraw/zinc/87/05/11/1064870511.db2.gz SJEKQHZGYGTELR-IYRWYFENSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)C[NH+]2C1 ZINC001464155223 1064870536 /nfs/dbraw/zinc/87/05/36/1064870536.db2.gz SJEKQHZGYGTELR-IYRWYFENSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)C[NH+]2C1 ZINC001464155223 1064870566 /nfs/dbraw/zinc/87/05/66/1064870566.db2.gz SJEKQHZGYGTELR-IYRWYFENSA-N 2 1 383.580 3.655 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001464561700 1065083109 /nfs/dbraw/zinc/08/31/09/1065083109.db2.gz PUWUJUJGHOVTNO-IBGZPJMESA-N 2 1 375.582 3.603 20 0 GHADMP C[C@H]1C[C@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001465916578 1065921083 /nfs/dbraw/zinc/92/10/83/1065921083.db2.gz YMJIUQSOGJWGEL-UWJYYQICSA-N 2 1 376.504 3.684 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCCC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC001353569257 1066049427 /nfs/dbraw/zinc/04/94/27/1066049427.db2.gz DEOUBQQYXGLYQH-RXVVDRJESA-N 2 1 377.598 3.807 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001466929081 1066396015 /nfs/dbraw/zinc/39/60/15/1066396015.db2.gz ABUIGECVNLHISL-IBGZPJMESA-N 2 1 390.597 3.870 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[NH+](Cc4ccccc4)CC3(C)C)C[N@H+]2C1 ZINC001467407969 1067280511 /nfs/dbraw/zinc/28/05/11/1067280511.db2.gz GSYZMYLSTDDSJM-YJMBLLCNSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[NH+]2C1 ZINC001467407969 1067280520 /nfs/dbraw/zinc/28/05/20/1067280520.db2.gz GSYZMYLSTDDSJM-YJMBLLCNSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[NH+]2C1 ZINC001467407969 1067280532 /nfs/dbraw/zinc/28/05/32/1067280532.db2.gz GSYZMYLSTDDSJM-YJMBLLCNSA-N 2 1 383.580 3.524 20 0 GHADMP C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001467629730 1067391840 /nfs/dbraw/zinc/39/18/40/1067391840.db2.gz IWXZYSSRCUDKRC-YLJYHZDGSA-N 2 1 392.975 3.508 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC001467673392 1067410064 /nfs/dbraw/zinc/41/00/64/1067410064.db2.gz BMRNBVGRQBNVNF-NJYVYQBISA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001468015024 1067565575 /nfs/dbraw/zinc/56/55/75/1067565575.db2.gz GNJLITGIBWFBOL-GCJKJVERSA-N 2 1 398.526 3.517 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C1CCCCC1 ZINC001468019228 1067567910 /nfs/dbraw/zinc/56/79/10/1067567910.db2.gz SDHIYAAORSOVDZ-OAQYLSRUSA-N 2 1 392.563 3.772 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001468100205 1067595224 /nfs/dbraw/zinc/59/52/24/1067595224.db2.gz RRUPRCQXYNOENC-NHCUHLMSSA-N 2 1 390.547 3.525 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001468346250 1067695775 /nfs/dbraw/zinc/69/57/75/1067695775.db2.gz AUWHQNWAUNIULH-GGAORHGYSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001468346250 1067695777 /nfs/dbraw/zinc/69/57/77/1067695777.db2.gz AUWHQNWAUNIULH-GGAORHGYSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001468346250 1067695779 /nfs/dbraw/zinc/69/57/79/1067695779.db2.gz AUWHQNWAUNIULH-GGAORHGYSA-N 2 1 398.595 3.605 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCC)CC[NH+]1CCCCCC1 ZINC001477797544 1078571187 /nfs/dbraw/zinc/57/11/87/1078571187.db2.gz RKVYSDFYZFPQQE-NRFANRHFSA-N 2 1 380.621 3.939 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000849275372 1067784170 /nfs/dbraw/zinc/78/41/70/1067784170.db2.gz MZAVXUGSCBCRMC-ZDUSSCGKSA-N 2 1 390.569 3.560 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc(SC(F)F)cc1 ZINC000849275372 1067784174 /nfs/dbraw/zinc/78/41/74/1067784174.db2.gz MZAVXUGSCBCRMC-ZDUSSCGKSA-N 2 1 390.569 3.560 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC001469185629 1068016556 /nfs/dbraw/zinc/01/65/56/1068016556.db2.gz UXEPKGZWGGCBQX-RTWAWAEBSA-N 2 1 388.600 3.800 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001469319546 1068100170 /nfs/dbraw/zinc/10/01/70/1068100170.db2.gz VAOPIDVNULIFAL-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001478057788 1078694767 /nfs/dbraw/zinc/69/47/67/1078694767.db2.gz MVZPSFROXKCFJD-FCHUYYIVSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001470025928 1068530167 /nfs/dbraw/zinc/53/01/67/1068530167.db2.gz ITACHTZRJHYMER-INIZCTEOSA-N 2 1 389.490 3.634 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001470025928 1068530173 /nfs/dbraw/zinc/53/01/73/1068530173.db2.gz ITACHTZRJHYMER-INIZCTEOSA-N 2 1 389.490 3.634 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC001470126854 1068585254 /nfs/dbraw/zinc/58/52/54/1068585254.db2.gz BMJLWYNBGDVQBX-WOJBJXKFSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC001470126854 1068585266 /nfs/dbraw/zinc/58/52/66/1068585266.db2.gz BMJLWYNBGDVQBX-WOJBJXKFSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC001470126854 1068585281 /nfs/dbraw/zinc/58/52/81/1068585281.db2.gz BMJLWYNBGDVQBX-WOJBJXKFSA-N 2 1 394.991 3.705 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001460084354 1068771008 /nfs/dbraw/zinc/77/10/08/1068771008.db2.gz NHVCUSXMTPTGPG-XMMPIXPASA-N 2 1 393.575 3.866 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001460084354 1068771010 /nfs/dbraw/zinc/77/10/10/1068771010.db2.gz NHVCUSXMTPTGPG-XMMPIXPASA-N 2 1 393.575 3.866 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3c4ccccc4C[N@H+]3C)CC2)CC1 ZINC001478282049 1078796217 /nfs/dbraw/zinc/79/62/17/1078796217.db2.gz LCFXDXRBQOUFAG-AOMIVXANSA-N 2 1 384.568 3.515 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3c4ccccc4C[N@@H+]3C)CC2)CC1 ZINC001478282049 1078796220 /nfs/dbraw/zinc/79/62/20/1078796220.db2.gz LCFXDXRBQOUFAG-AOMIVXANSA-N 2 1 384.568 3.515 20 0 GHADMP CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC001460572870 1069002774 /nfs/dbraw/zinc/00/27/74/1069002774.db2.gz ZLJIIOILLSSMBZ-UHFFFAOYSA-N 2 1 388.577 3.743 20 0 GHADMP CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC001460572870 1069002797 /nfs/dbraw/zinc/00/27/97/1069002797.db2.gz ZLJIIOILLSSMBZ-UHFFFAOYSA-N 2 1 388.577 3.743 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460973015 1069308117 /nfs/dbraw/zinc/30/81/17/1069308117.db2.gz LSSHBYMUWYUNMH-WIYYLYMNSA-N 2 1 376.545 3.599 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460973015 1069308136 /nfs/dbraw/zinc/30/81/36/1069308136.db2.gz LSSHBYMUWYUNMH-WIYYLYMNSA-N 2 1 376.545 3.599 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001478530811 1078907392 /nfs/dbraw/zinc/90/73/92/1078907392.db2.gz BKPLGARAWXXDPW-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001478536961 1078908875 /nfs/dbraw/zinc/90/88/75/1078908875.db2.gz AVWHOKJAZSNPRP-FGZHOGPDSA-N 2 1 390.616 3.880 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1ccco1 ZINC001478619469 1078937620 /nfs/dbraw/zinc/93/76/20/1078937620.db2.gz IMFJPFXEUBALNB-PZJWPPBQSA-N 2 1 398.551 3.545 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC001470714884 1072701719 /nfs/dbraw/zinc/70/17/19/1072701719.db2.gz XLHZJZAHNCDQFU-JOCHJYFZSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+](CCCNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC001470714884 1072701724 /nfs/dbraw/zinc/70/17/24/1072701724.db2.gz XLHZJZAHNCDQFU-JOCHJYFZSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+](CCCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC001470714884 1072701728 /nfs/dbraw/zinc/70/17/28/1072701728.db2.gz XLHZJZAHNCDQFU-JOCHJYFZSA-N 2 1 386.584 3.605 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001470854731 1072773071 /nfs/dbraw/zinc/77/30/71/1072773071.db2.gz NDBMTNOCFOPSKJ-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001470854731 1072773081 /nfs/dbraw/zinc/77/30/81/1072773081.db2.gz NDBMTNOCFOPSKJ-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001470854731 1072773091 /nfs/dbraw/zinc/77/30/91/1072773091.db2.gz NDBMTNOCFOPSKJ-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC001471044543 1072901221 /nfs/dbraw/zinc/90/12/21/1072901221.db2.gz FTNVFCQMOQIGNE-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC001471044543 1072901222 /nfs/dbraw/zinc/90/12/22/1072901222.db2.gz FTNVFCQMOQIGNE-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC001471044543 1072901223 /nfs/dbraw/zinc/90/12/23/1072901223.db2.gz FTNVFCQMOQIGNE-BAGYTPMASA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+](CC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001471062519 1072910153 /nfs/dbraw/zinc/91/01/53/1072910153.db2.gz BRNFZWVMVBSXFS-HSZRJFAPSA-N 2 1 379.548 3.679 20 0 GHADMP C[N@@H+](CC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001471062519 1072910156 /nfs/dbraw/zinc/91/01/56/1072910156.db2.gz BRNFZWVMVBSXFS-HSZRJFAPSA-N 2 1 379.548 3.679 20 0 GHADMP C[NH+](CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001471062519 1072910158 /nfs/dbraw/zinc/91/01/58/1072910158.db2.gz BRNFZWVMVBSXFS-HSZRJFAPSA-N 2 1 379.548 3.679 20 0 GHADMP C[NH+](CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001471062519 1072910159 /nfs/dbraw/zinc/91/01/59/1072910159.db2.gz BRNFZWVMVBSXFS-HSZRJFAPSA-N 2 1 379.548 3.679 20 0 GHADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001471226253 1072973879 /nfs/dbraw/zinc/97/38/79/1072973879.db2.gz AOJTZTBKSQNFMW-VXNXHJTFSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001471226253 1072973880 /nfs/dbraw/zinc/97/38/80/1072973880.db2.gz AOJTZTBKSQNFMW-VXNXHJTFSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC001471226253 1072973883 /nfs/dbraw/zinc/97/38/83/1072973883.db2.gz AOJTZTBKSQNFMW-VXNXHJTFSA-N 2 1 391.559 3.503 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC001478956615 1079037852 /nfs/dbraw/zinc/03/78/52/1079037852.db2.gz CYFAGESLPVJCAL-IBGZPJMESA-N 2 1 394.563 3.698 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC001478956615 1079037859 /nfs/dbraw/zinc/03/78/59/1079037859.db2.gz CYFAGESLPVJCAL-IBGZPJMESA-N 2 1 394.563 3.698 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC001478984353 1079051161 /nfs/dbraw/zinc/05/11/61/1079051161.db2.gz MUKJVOQDENVOGA-KCZVDYSFSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001478984353 1079051165 /nfs/dbraw/zinc/05/11/65/1079051165.db2.gz MUKJVOQDENVOGA-KCZVDYSFSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001478984353 1079051168 /nfs/dbraw/zinc/05/11/68/1079051168.db2.gz MUKJVOQDENVOGA-KCZVDYSFSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[NH+](C)Cc1ccccc1 ZINC001472509810 1073522453 /nfs/dbraw/zinc/52/24/53/1073522453.db2.gz YWKXSYVSJJQUKQ-CVDCTZTESA-N 2 1 379.548 3.746 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@H+](C)Cc1ccccc1 ZINC001472509810 1073522460 /nfs/dbraw/zinc/52/24/60/1073522460.db2.gz YWKXSYVSJJQUKQ-CVDCTZTESA-N 2 1 379.548 3.746 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@@H+](C)Cc1ccccc1 ZINC001472509810 1073522468 /nfs/dbraw/zinc/52/24/68/1073522468.db2.gz YWKXSYVSJJQUKQ-CVDCTZTESA-N 2 1 379.548 3.746 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[NH+](C)Cc1ccccc1 ZINC001472509809 1073522562 /nfs/dbraw/zinc/52/25/62/1073522562.db2.gz YWKXSYVSJJQUKQ-AUSIDOKSSA-N 2 1 379.548 3.746 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@H+](C)Cc1ccccc1 ZINC001472509809 1073522574 /nfs/dbraw/zinc/52/25/74/1073522574.db2.gz YWKXSYVSJJQUKQ-AUSIDOKSSA-N 2 1 379.548 3.746 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@@H+](C)Cc1ccccc1 ZINC001472509809 1073522586 /nfs/dbraw/zinc/52/25/86/1073522586.db2.gz YWKXSYVSJJQUKQ-AUSIDOKSSA-N 2 1 379.548 3.746 20 0 GHADMP CC(C)[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473185170 1073840434 /nfs/dbraw/zinc/84/04/34/1073840434.db2.gz MQUHMMOQSVTTCO-UXHICEINSA-N 2 1 377.960 3.714 20 0 GHADMP CC(C)[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473185170 1073840441 /nfs/dbraw/zinc/84/04/41/1073840441.db2.gz MQUHMMOQSVTTCO-UXHICEINSA-N 2 1 377.960 3.714 20 0 GHADMP O=C(Cc1ccccc1)OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001473220563 1073868860 /nfs/dbraw/zinc/86/88/60/1073868860.db2.gz XRWQYPIQGXWLCG-DNQXCXABSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001473220563 1073868876 /nfs/dbraw/zinc/86/88/76/1073868876.db2.gz XRWQYPIQGXWLCG-DNQXCXABSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001473220563 1073868890 /nfs/dbraw/zinc/86/88/90/1073868890.db2.gz XRWQYPIQGXWLCG-DNQXCXABSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001473220563 1073868903 /nfs/dbraw/zinc/86/89/03/1073868903.db2.gz XRWQYPIQGXWLCG-DNQXCXABSA-N 2 1 392.543 3.759 20 0 GHADMP CC(=O)OC1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473282143 1073904539 /nfs/dbraw/zinc/90/45/39/1073904539.db2.gz GQKJDMLUZAKDJQ-HSZRJFAPSA-N 2 1 380.532 3.930 20 0 GHADMP O=C1OCCN1CCC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001473530985 1074004854 /nfs/dbraw/zinc/00/48/54/1074004854.db2.gz MEGMCCDJFPWYEF-QHCPKHFHSA-N 2 1 399.579 3.986 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669913 1074076345 /nfs/dbraw/zinc/07/63/45/1074076345.db2.gz DRIHMWGZSBVGKD-NHCUHLMSSA-N 2 1 375.557 3.723 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669913 1074076350 /nfs/dbraw/zinc/07/63/50/1074076350.db2.gz DRIHMWGZSBVGKD-NHCUHLMSSA-N 2 1 375.557 3.723 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669913 1074076356 /nfs/dbraw/zinc/07/63/56/1074076356.db2.gz DRIHMWGZSBVGKD-NHCUHLMSSA-N 2 1 375.557 3.723 20 0 GHADMP O=c1[nH]cc(CN2CCC[N@@H+](Cc3ccccc3)CCOCC2)c2ccccc12 ZINC001473830097 1074163725 /nfs/dbraw/zinc/16/37/25/1074163725.db2.gz MXOWAQIRPIYXPT-UHFFFAOYSA-N 2 1 391.515 3.665 20 0 GHADMP O=c1[nH]cc(C[N@@H+]2CCCN(Cc3ccccc3)CCOCC2)c2ccccc12 ZINC001473830097 1074163729 /nfs/dbraw/zinc/16/37/29/1074163729.db2.gz MXOWAQIRPIYXPT-UHFFFAOYSA-N 2 1 391.515 3.665 20 0 GHADMP O=c1[nH]cc(C[N@H+]2CCCN(Cc3ccccc3)CCOCC2)c2ccccc12 ZINC001473830097 1074163733 /nfs/dbraw/zinc/16/37/33/1074163733.db2.gz MXOWAQIRPIYXPT-UHFFFAOYSA-N 2 1 391.515 3.665 20 0 GHADMP CCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1F ZINC001473927297 1074206328 /nfs/dbraw/zinc/20/63/28/1074206328.db2.gz HEFLTQBPBWOFQU-QFIPXVFZSA-N 2 1 385.527 3.693 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001474028631 1074241388 /nfs/dbraw/zinc/24/13/88/1074241388.db2.gz PMHVSZYAMISOSI-UHFFFAOYSA-N 2 1 390.535 3.655 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001474067593 1074252412 /nfs/dbraw/zinc/25/24/12/1074252412.db2.gz AOKIKGMLUNKUTG-DLBZAZTESA-N 2 1 376.850 3.826 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001474355463 1074360030 /nfs/dbraw/zinc/36/00/30/1074360030.db2.gz JYXWADMYLYDCAT-UPVQGACJSA-N 2 1 395.595 3.929 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001474355463 1074360035 /nfs/dbraw/zinc/36/00/35/1074360035.db2.gz JYXWADMYLYDCAT-UPVQGACJSA-N 2 1 395.595 3.929 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001474355463 1074360043 /nfs/dbraw/zinc/36/00/43/1074360043.db2.gz JYXWADMYLYDCAT-UPVQGACJSA-N 2 1 395.595 3.929 20 0 GHADMP CC[NH+]1CCN(c2cccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC001474461765 1074416728 /nfs/dbraw/zinc/41/67/28/1074416728.db2.gz USOOWFWLFQLXAF-HSZRJFAPSA-N 2 1 378.564 3.905 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001474546528 1074458566 /nfs/dbraw/zinc/45/85/66/1074458566.db2.gz ODOUUHHFMMAHGL-XMMPIXPASA-N 2 1 399.579 3.898 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001474546528 1074458573 /nfs/dbraw/zinc/45/85/73/1074458573.db2.gz ODOUUHHFMMAHGL-XMMPIXPASA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001474546528 1074458580 /nfs/dbraw/zinc/45/85/80/1074458580.db2.gz ODOUUHHFMMAHGL-XMMPIXPASA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001474546528 1074458584 /nfs/dbraw/zinc/45/85/84/1074458584.db2.gz ODOUUHHFMMAHGL-XMMPIXPASA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c2c1OC(F)(F)O2 ZINC001474630265 1074490958 /nfs/dbraw/zinc/49/09/58/1074490958.db2.gz KESCPLPKWHFWIT-QAPCUYQASA-N 2 1 396.478 3.851 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001474673419 1074508667 /nfs/dbraw/zinc/50/86/67/1074508667.db2.gz BLMQCCUBHBCINT-IYERYRBDSA-N 2 1 390.593 3.624 20 0 GHADMP Cc1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc1-c1ccccc1 ZINC001475940642 1075053758 /nfs/dbraw/zinc/05/37/58/1075053758.db2.gz SXJXHWLHWYATNB-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP Cc1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc1-c1ccccc1 ZINC001475940642 1075053763 /nfs/dbraw/zinc/05/37/63/1075053763.db2.gz SXJXHWLHWYATNB-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001546208491 1075069333 /nfs/dbraw/zinc/06/93/33/1075069333.db2.gz PQGZXONOGLYSBJ-GHTZIAJQSA-N 2 1 390.531 3.931 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820710643 599367420 /nfs/dbraw/zinc/36/74/20/599367420.db2.gz RISLVLFLTPHNNB-MSOLQXFVSA-N 2 1 390.535 3.949 20 0 GHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000820704549 606915200 /nfs/dbraw/zinc/91/52/00/606915200.db2.gz OPGZHQCYCACYHK-ZWKOTPCHSA-N 2 1 382.556 3.904 20 0 GHADMP Cc1ccc2nc(Cl)cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164686173 719614554 /nfs/dbraw/zinc/61/45/54/719614554.db2.gz YXOYVPVVGAHPNW-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP Cc1ccc2nc(Cl)cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164686173 719614557 /nfs/dbraw/zinc/61/45/57/719614557.db2.gz YXOYVPVVGAHPNW-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3c(Cl)ccc(F)c3n2)c2c1CC[NH2+]C2 ZINC001164680664 719649868 /nfs/dbraw/zinc/64/98/68/719649868.db2.gz ZMIALELJPJVLBG-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3c(Cl)ccc(F)c3n2)c2c1CC[NH2+]C2 ZINC001164680664 719649872 /nfs/dbraw/zinc/64/98/72/719649872.db2.gz ZMIALELJPJVLBG-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000068902497 721897908 /nfs/dbraw/zinc/89/79/08/721897908.db2.gz XXGXNJZGFQHIMW-KRWDZBQOSA-N 2 1 395.576 3.950 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cc1)C1CC1 ZINC000115416076 837447854 /nfs/dbraw/zinc/44/78/54/837447854.db2.gz SFHKWKLDZNEORC-UHFFFAOYSA-N 2 1 383.511 3.802 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000511479071 837591550 /nfs/dbraw/zinc/59/15/50/837591550.db2.gz HKXIQIIZGDWFSF-UHFFFAOYSA-N 2 1 382.339 3.738 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414393247 837679776 /nfs/dbraw/zinc/67/97/76/837679776.db2.gz NLQPELAZFJDYQR-VGOFRKELSA-N 2 1 388.531 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@H](C)C1 ZINC000414393247 837679782 /nfs/dbraw/zinc/67/97/82/837679782.db2.gz NLQPELAZFJDYQR-VGOFRKELSA-N 2 1 388.531 3.546 20 0 GHADMP C[C@H]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000275592552 837680377 /nfs/dbraw/zinc/68/03/77/837680377.db2.gz FUNHSGICDKNPIP-FQEVSTJZSA-N 2 1 394.563 3.919 20 0 GHADMP Clc1cccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCOCC2)c1 ZINC000655698736 837689681 /nfs/dbraw/zinc/68/96/81/837689681.db2.gz VXAKFLABWKKUOL-OAQYLSRUSA-N 2 1 392.971 3.621 20 0 GHADMP Clc1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCOCC2)cc1 ZINC000655700426 837690945 /nfs/dbraw/zinc/69/09/45/837690945.db2.gz HMGJWPQTVBNRSV-OAQYLSRUSA-N 2 1 392.971 3.621 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000655721542 837736090 /nfs/dbraw/zinc/73/60/90/837736090.db2.gz OZAPFGUMIPPAFE-ZWKOTPCHSA-N 2 1 386.458 3.706 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000654729316 834441088 /nfs/dbraw/zinc/44/10/88/834441088.db2.gz RPMZRZGXFJIMDX-ADHNFCLRSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000654729316 834441095 /nfs/dbraw/zinc/44/10/95/834441095.db2.gz RPMZRZGXFJIMDX-ADHNFCLRSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000654729316 834441099 /nfs/dbraw/zinc/44/10/99/834441099.db2.gz RPMZRZGXFJIMDX-ADHNFCLRSA-N 2 1 398.595 3.698 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000650705282 834521143 /nfs/dbraw/zinc/52/11/43/834521143.db2.gz BADGYJLRBKGNMY-ZDXQCDESSA-N 2 1 380.532 3.984 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OCC(C)C ZINC000650705392 834522162 /nfs/dbraw/zinc/52/21/62/834522162.db2.gz GBUSUTTWPRODOX-JAXLGGSGSA-N 2 1 390.568 3.838 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000650706411 834537186 /nfs/dbraw/zinc/53/71/86/834537186.db2.gz JUIABRFYLMRDPH-DCLXLUIPSA-N 2 1 390.531 3.744 20 0 GHADMP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(=O)NCc1cccs1 ZINC000647333847 834572165 /nfs/dbraw/zinc/57/21/65/834572165.db2.gz APFLROGTAJIIFB-PGRDOPGGSA-N 2 1 399.604 3.828 20 0 GHADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821432 834689115 /nfs/dbraw/zinc/68/91/15/834689115.db2.gz FFHVJMJEASDTFB-IBGZPJMESA-N 2 1 380.536 3.956 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000650722657 834690924 /nfs/dbraw/zinc/69/09/24/834690924.db2.gz YSLMYXGLSZEKOP-ZVDOUQERSA-N 2 1 376.541 3.735 20 0 GHADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1cccc(Br)c1 ZINC000650723812 834706021 /nfs/dbraw/zinc/70/60/21/834706021.db2.gz UGZFHKABAUAEIG-UTRMSSBJSA-N 2 1 381.358 3.913 20 0 GHADMP Clc1ccc2c(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cc[nH+]c2c1 ZINC000139357500 834736168 /nfs/dbraw/zinc/73/61/68/834736168.db2.gz SZWWRRAJGIJNLK-UHFFFAOYSA-N 3 1 381.911 3.907 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cncc(F)c1 ZINC000583613076 834757017 /nfs/dbraw/zinc/75/70/17/834757017.db2.gz UGTAZYDGSDNHFK-GHTZIAJQSA-N 2 1 383.511 3.800 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000510068765 834831583 /nfs/dbraw/zinc/83/15/83/834831583.db2.gz CQOSGJNDUCWMDF-IRLDBZIGSA-N 2 1 392.609 3.897 20 0 GHADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246234993 834841032 /nfs/dbraw/zinc/84/10/32/834841032.db2.gz IENODLIBPQHWIZ-IYRWYFENSA-N 2 1 379.548 3.834 20 0 GHADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000655755234 837827256 /nfs/dbraw/zinc/82/72/56/837827256.db2.gz UKGOHTKUMPBRHX-HXUWFJFHSA-N 2 1 390.568 3.605 20 0 GHADMP O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685443011 835013989 /nfs/dbraw/zinc/01/39/89/835013989.db2.gz HJBYGPCJIQMHJE-VWLOTQADSA-N 2 1 389.543 3.677 20 0 GHADMP O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685443011 835013997 /nfs/dbraw/zinc/01/39/97/835013997.db2.gz HJBYGPCJIQMHJE-VWLOTQADSA-N 2 1 389.543 3.677 20 0 GHADMP O=C(NC1CC1)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685443011 835014009 /nfs/dbraw/zinc/01/40/09/835014009.db2.gz HJBYGPCJIQMHJE-VWLOTQADSA-N 2 1 389.543 3.677 20 0 GHADMP O=C(NC1CC1)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685443011 835014020 /nfs/dbraw/zinc/01/40/20/835014020.db2.gz HJBYGPCJIQMHJE-VWLOTQADSA-N 2 1 389.543 3.677 20 0 GHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1Oc1cccnc1 ZINC000685457747 835022430 /nfs/dbraw/zinc/02/24/30/835022430.db2.gz LVSIBOLWRGIMTD-QFIPXVFZSA-N 2 1 394.563 3.783 20 0 GHADMP C[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457851 835022643 /nfs/dbraw/zinc/02/26/43/835022643.db2.gz PYTOORGUSDJYMW-QGZVFWFLSA-N 2 1 389.490 3.825 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728195870 835093766 /nfs/dbraw/zinc/09/37/66/835093766.db2.gz IXWAWERXAXKMFK-OAQYLSRUSA-N 2 1 383.511 3.683 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000728195870 835093776 /nfs/dbraw/zinc/09/37/76/835093776.db2.gz IXWAWERXAXKMFK-OAQYLSRUSA-N 2 1 383.511 3.683 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000728196255 835095161 /nfs/dbraw/zinc/09/51/61/835095161.db2.gz LFQMEXCADLEVOX-QFIPXVFZSA-N 2 1 379.548 3.852 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000728196255 835095174 /nfs/dbraw/zinc/09/51/74/835095174.db2.gz LFQMEXCADLEVOX-QFIPXVFZSA-N 2 1 379.548 3.852 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000685528456 835111151 /nfs/dbraw/zinc/11/11/51/835111151.db2.gz CBWCWWBSPMVEIS-GOSISDBHSA-N 2 1 392.613 3.520 20 0 GHADMP Cc1nn2c(C[N@@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)c(C)nc2s1 ZINC000472340317 835144175 /nfs/dbraw/zinc/14/41/75/835144175.db2.gz DMRAIPZFJJOZBI-RBUKOAKNSA-N 2 1 383.565 3.580 20 0 GHADMP Cc1nn2c(C[N@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)c(C)nc2s1 ZINC000472340317 835144181 /nfs/dbraw/zinc/14/41/81/835144181.db2.gz DMRAIPZFJJOZBI-RBUKOAKNSA-N 2 1 383.565 3.580 20 0 GHADMP CC1CCC([N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C2CC2)CC1 ZINC001167070108 835182069 /nfs/dbraw/zinc/18/20/69/835182069.db2.gz DAGCTXDAUOTPKV-UHFFFAOYSA-N 2 1 383.580 3.942 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000433347148 844032450 /nfs/dbraw/zinc/03/24/50/844032450.db2.gz KXIKEMPIOPISIN-NRFANRHFSA-N 2 1 383.561 3.867 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C2CC2)cc1 ZINC000182225170 835262829 /nfs/dbraw/zinc/26/28/29/835262829.db2.gz QDYKJRDLYOPFPE-VWNXMTODSA-N 2 1 380.532 3.893 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]([C@H]4CCCC4(C)C)C3)CC2)CC1 ZINC000655160288 835316389 /nfs/dbraw/zinc/31/63/89/835316389.db2.gz OQKZLGLNTRJWGC-IFMALSPDSA-N 2 1 389.628 3.858 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309738899 835341281 /nfs/dbraw/zinc/34/12/81/835341281.db2.gz RIEMYZALXWLBPN-PCCBWWKXSA-N 2 1 387.568 3.934 20 0 GHADMP COc1cc2ccc([C@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cc2cc1OC ZINC000658003933 835368821 /nfs/dbraw/zinc/36/88/21/835368821.db2.gz WAIPCERZQBCMMB-KRWDZBQOSA-N 2 1 385.552 3.534 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141749 835452229 /nfs/dbraw/zinc/45/22/29/835452229.db2.gz UKYQAUQOGXOQBC-FPOVZHCZSA-N 2 1 386.923 3.910 20 0 GHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658139479 835465698 /nfs/dbraw/zinc/46/56/98/835465698.db2.gz LUAXWGRDXXUNBK-GMAHTHKFSA-N 2 1 380.532 3.874 20 0 GHADMP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000658168746 835483023 /nfs/dbraw/zinc/48/30/23/835483023.db2.gz YIKHVKDSLDVIMW-QFIPXVFZSA-N 2 1 393.510 3.545 20 0 GHADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000245678339 844082458 /nfs/dbraw/zinc/08/24/58/844082458.db2.gz IHUSDZAPGUBJDG-YSFYHYPLSA-N 2 1 378.516 3.784 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000278703807 835841873 /nfs/dbraw/zinc/84/18/73/835841873.db2.gz QFSSSQXVXJGING-UHFFFAOYSA-N 2 1 393.487 3.881 20 0 GHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)c(Cl)c1 ZINC000657847954 835928747 /nfs/dbraw/zinc/92/87/47/835928747.db2.gz YUYFLFYUBDWWFB-LBPRGKRZSA-N 2 1 375.738 3.600 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OCc1c(C)noc1C ZINC000017313813 836223323 /nfs/dbraw/zinc/22/33/23/836223323.db2.gz ARTFUYDEFVTEHN-UHFFFAOYSA-N 2 1 387.524 3.841 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)n1 ZINC000548483933 844148464 /nfs/dbraw/zinc/14/84/64/844148464.db2.gz FGMSTGSAGCIAGC-OFNKIYASSA-N 2 1 389.547 3.884 20 0 GHADMP CC[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000413791191 836339517 /nfs/dbraw/zinc/33/95/17/836339517.db2.gz LEFDGRDDGPWMHC-FPVZDTGUSA-N 2 1 377.960 3.710 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC000174037028 836357994 /nfs/dbraw/zinc/35/79/94/836357994.db2.gz KVDNMTPCFREKSV-DEOSSOPVSA-N 2 1 391.559 3.775 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC000174037028 836358005 /nfs/dbraw/zinc/35/80/05/836358005.db2.gz KVDNMTPCFREKSV-DEOSSOPVSA-N 2 1 391.559 3.775 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000892575624 836693057 /nfs/dbraw/zinc/69/30/57/836693057.db2.gz WLLRBNDDYYEUSV-MRXNPFEDSA-N 2 1 387.549 3.842 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000892575624 836693060 /nfs/dbraw/zinc/69/30/60/836693060.db2.gz WLLRBNDDYYEUSV-MRXNPFEDSA-N 2 1 387.549 3.842 20 0 GHADMP CC[C@@H](C)C[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431676670 836693192 /nfs/dbraw/zinc/69/31/92/836693192.db2.gz RUMDSAAWVSUYQQ-MOPGFXCFSA-N 2 1 380.621 3.649 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)s1 ZINC000892581337 836756109 /nfs/dbraw/zinc/75/61/09/836756109.db2.gz WDWRKYSSBQQREU-MRXNPFEDSA-N 2 1 387.549 3.984 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)s1 ZINC000892581337 836756114 /nfs/dbraw/zinc/75/61/14/836756114.db2.gz WDWRKYSSBQQREU-MRXNPFEDSA-N 2 1 387.549 3.984 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000510933038 844214581 /nfs/dbraw/zinc/21/45/81/844214581.db2.gz YMZPTOHBHVULKV-ZKGSSEMHSA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(C[NH+]2C[C@@H](c3ccccc3)[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000510933038 844214602 /nfs/dbraw/zinc/21/46/02/844214602.db2.gz YMZPTOHBHVULKV-ZKGSSEMHSA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(C[NH+]2C[C@@H](c3ccccc3)[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000510933038 844214613 /nfs/dbraw/zinc/21/46/13/844214613.db2.gz YMZPTOHBHVULKV-ZKGSSEMHSA-N 2 1 375.560 3.871 20 0 GHADMP COc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000119661811 836914300 /nfs/dbraw/zinc/91/43/00/836914300.db2.gz ORUKMFMJGFJRAS-JOCHJYFZSA-N 2 1 397.538 3.710 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000052120094 844220709 /nfs/dbraw/zinc/22/07/09/844220709.db2.gz MEMSYGGYYNWGEG-UHFFFAOYSA-N 2 1 387.487 3.843 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828134 837169413 /nfs/dbraw/zinc/16/94/13/837169413.db2.gz HQJUGZMXOCLZOH-REWPJTCUSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H](NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828134 837169420 /nfs/dbraw/zinc/16/94/20/837169420.db2.gz HQJUGZMXOCLZOH-REWPJTCUSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@H](NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828134 837169427 /nfs/dbraw/zinc/16/94/27/837169427.db2.gz HQJUGZMXOCLZOH-REWPJTCUSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Sc3ccccn3)o2)C[C@H](C)O1 ZINC000510268616 837234238 /nfs/dbraw/zinc/23/42/38/837234238.db2.gz ITUHWMZBEWXVSE-CALCHBBNSA-N 2 1 375.538 3.805 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659021340 837273170 /nfs/dbraw/zinc/27/31/70/837273170.db2.gz GASWKLCHLDJHDT-OAQYLSRUSA-N 2 1 392.547 3.830 20 0 GHADMP CCOC1CC(C[NH+]2CCCC3(CCC[N@H+](CC4CC(OCC)C4)C3)C2)C1 ZINC000377723358 837837019 /nfs/dbraw/zinc/83/70/19/837837019.db2.gz LAQJZCFDGUKUER-UHFFFAOYSA-N 2 1 378.601 3.795 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894166332 844268610 /nfs/dbraw/zinc/26/86/10/844268610.db2.gz XHHRJLNVODLPTF-BPIHKTFHSA-N 2 1 376.545 3.595 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000047791953 837968454 /nfs/dbraw/zinc/96/84/54/837968454.db2.gz HWUOGQHFRKLSAH-RXVVDRJESA-N 2 1 398.551 3.614 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000047791953 837968458 /nfs/dbraw/zinc/96/84/58/837968458.db2.gz HWUOGQHFRKLSAH-RXVVDRJESA-N 2 1 398.551 3.614 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OCc1cccnc1 ZINC000377840477 838043550 /nfs/dbraw/zinc/04/35/50/838043550.db2.gz SHAVJBKLAQYEDW-LEWJYISDSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OCc1cccnc1 ZINC000377840477 838043566 /nfs/dbraw/zinc/04/35/66/838043566.db2.gz SHAVJBKLAQYEDW-LEWJYISDSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OCc1cccnc1 ZINC000377840477 838043583 /nfs/dbraw/zinc/04/35/83/838043583.db2.gz SHAVJBKLAQYEDW-LEWJYISDSA-N 2 1 381.520 3.585 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000659285686 838202493 /nfs/dbraw/zinc/20/24/93/838202493.db2.gz QQIZZNYOFUXJHW-SFHVURJKSA-N 2 1 396.318 3.833 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000052209934 844305453 /nfs/dbraw/zinc/30/54/53/844305453.db2.gz KHEIVBPSFOCFJK-UHFFFAOYSA-N 2 1 381.948 3.731 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000052209934 844305468 /nfs/dbraw/zinc/30/54/68/844305468.db2.gz KHEIVBPSFOCFJK-UHFFFAOYSA-N 2 1 381.948 3.731 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415898535 838245994 /nfs/dbraw/zinc/24/59/94/838245994.db2.gz HPXHCEMQGRGEMW-GOSISDBHSA-N 2 1 380.536 3.960 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000415909126 838254408 /nfs/dbraw/zinc/25/44/08/838254408.db2.gz RSVDLTFJOFQCOF-UHFFFAOYSA-N 2 1 394.563 3.969 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000415903035 838256466 /nfs/dbraw/zinc/25/64/66/838256466.db2.gz WVDOZLLMTRTHAL-UHFFFAOYSA-N 2 1 392.547 3.805 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000415904050 838257379 /nfs/dbraw/zinc/25/73/79/838257379.db2.gz FTSOGGJHQXLEBW-SFHVURJKSA-N 2 1 386.565 3.891 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000415905978 838259255 /nfs/dbraw/zinc/25/92/55/838259255.db2.gz JFJQUESZQRNREX-PGRDOPGGSA-N 2 1 380.536 3.971 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415943826 838297685 /nfs/dbraw/zinc/29/76/85/838297685.db2.gz NIHYTLKHTFIZEI-NQIIRXRSSA-N 2 1 380.536 3.828 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415945924 838299259 /nfs/dbraw/zinc/29/92/59/838299259.db2.gz MIHIRGVAIFBFSZ-GOSISDBHSA-N 2 1 388.556 3.533 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000415952192 838308549 /nfs/dbraw/zinc/30/85/49/838308549.db2.gz IZJDUQKNFNDCQK-QGZVFWFLSA-N 2 1 386.565 3.891 20 0 GHADMP C[C@H]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415955385 838316679 /nfs/dbraw/zinc/31/66/79/838316679.db2.gz MFDZXBVLIITULL-KRWDZBQOSA-N 2 1 396.510 3.600 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000415973082 838331115 /nfs/dbraw/zinc/33/11/15/838331115.db2.gz PZYYYVFIVZWQAM-ZWKOTPCHSA-N 2 1 392.425 3.731 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000122672402 838338895 /nfs/dbraw/zinc/33/88/95/838338895.db2.gz GHIINUUQDARVNE-SJORKVTESA-N 2 1 383.517 3.694 20 0 GHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC000378165745 838544538 /nfs/dbraw/zinc/54/45/38/838544538.db2.gz JEGAYQQQNNDQPK-AVRDEDQJSA-N 2 1 387.568 3.772 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)c2)C[C@@H](C)O1 ZINC000416165938 838660272 /nfs/dbraw/zinc/66/02/72/838660272.db2.gz JAOMAXGPQODBTG-DNVFCKCGSA-N 2 1 395.547 3.927 20 0 GHADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549414668 838838986 /nfs/dbraw/zinc/83/89/86/838838986.db2.gz DQEYLLBUGAABJD-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000893224966 839035994 /nfs/dbraw/zinc/03/59/94/839035994.db2.gz GYECEMAVXZCMAH-BVOGOJNSSA-N 2 1 376.516 3.510 20 0 GHADMP COc1cc(Br)c(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1O ZINC000415047597 839115794 /nfs/dbraw/zinc/11/57/94/839115794.db2.gz FAQJOWUCUHNOMH-MRXNPFEDSA-N 2 1 379.298 3.733 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000549164722 839122030 /nfs/dbraw/zinc/12/20/30/839122030.db2.gz GYCLQKFHZFGZKM-FQEVSTJZSA-N 2 1 380.536 3.609 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000549164722 839122036 /nfs/dbraw/zinc/12/20/36/839122036.db2.gz GYCLQKFHZFGZKM-FQEVSTJZSA-N 2 1 380.536 3.609 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000415059075 839130174 /nfs/dbraw/zinc/13/01/74/839130174.db2.gz WNGCSGOGUQUSCC-AEFFLSMTSA-N 2 1 378.442 3.855 20 0 GHADMP CCc1ccccc1[C@@H]([NH3+])CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000415069697 839160663 /nfs/dbraw/zinc/16/06/63/839160663.db2.gz TVEAPCIFYKJEBL-QHCPKHFHSA-N 2 1 380.580 3.569 20 0 GHADMP O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415073406 839169430 /nfs/dbraw/zinc/16/94/30/839169430.db2.gz BFBMEYDNRGRSGP-SIKLNZKXSA-N 2 1 381.495 3.513 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000460349091 839211081 /nfs/dbraw/zinc/21/10/81/839211081.db2.gz QRNCCFWRBDEDAI-QZTJIDSGSA-N 2 1 399.966 3.702 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000415111976 839233006 /nfs/dbraw/zinc/23/30/06/839233006.db2.gz RQUHPUAGDVARPR-SJORKVTESA-N 2 1 387.749 3.821 20 0 GHADMP C[NH2+]CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000415138436 839263916 /nfs/dbraw/zinc/26/39/16/839263916.db2.gz VFMBKCGQQYKZPM-UHFFFAOYSA-N 2 1 394.519 3.598 20 0 GHADMP C[NH2+]CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000415138436 839263929 /nfs/dbraw/zinc/26/39/29/839263929.db2.gz VFMBKCGQQYKZPM-UHFFFAOYSA-N 2 1 394.519 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000160475198 839400033 /nfs/dbraw/zinc/40/00/33/839400033.db2.gz SQSWCJLAJIKNCK-VQIMIIECSA-N 2 1 399.539 3.843 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC001167391942 839469342 /nfs/dbraw/zinc/46/93/42/839469342.db2.gz PKVHWYLIAQZJHP-PMACEKPBSA-N 2 1 377.617 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000656255024 839844192 /nfs/dbraw/zinc/84/41/92/839844192.db2.gz KQYCZFNUICBAPB-DZFGPLHGSA-N 2 1 388.943 3.518 20 0 GHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000656255024 839844199 /nfs/dbraw/zinc/84/41/99/839844199.db2.gz KQYCZFNUICBAPB-DZFGPLHGSA-N 2 1 388.943 3.518 20 0 GHADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000580705300 840029351 /nfs/dbraw/zinc/02/93/51/840029351.db2.gz SPQAEGHUUKLJTP-OFNKIYASSA-N 2 1 394.559 3.842 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CC1 ZINC000511585210 840170165 /nfs/dbraw/zinc/17/01/65/840170165.db2.gz KCCAUCAWFQPYNK-UHFFFAOYSA-N 2 1 377.532 3.629 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CC1 ZINC000511585210 840170173 /nfs/dbraw/zinc/17/01/73/840170173.db2.gz KCCAUCAWFQPYNK-UHFFFAOYSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416970485 840327813 /nfs/dbraw/zinc/32/78/13/840327813.db2.gz NNJHIUKLPYLRLE-MOPGFXCFSA-N 2 1 394.563 3.938 20 0 GHADMP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000500410053 840404117 /nfs/dbraw/zinc/40/41/17/840404117.db2.gz OHJBYONTADUAEU-NFBKMPQASA-N 2 1 399.579 3.603 20 0 GHADMP C[N@@H+](CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1ccccc1 ZINC000162773872 840442277 /nfs/dbraw/zinc/44/22/77/840442277.db2.gz ROINFETZFBCXLT-UHFFFAOYSA-N 2 1 382.508 3.675 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCc3sccc3C2)cc1 ZINC000511608344 840535031 /nfs/dbraw/zinc/53/50/31/840535031.db2.gz DFKOPGUJFIQJEN-UHFFFAOYSA-N 2 1 385.577 3.768 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCc3sccc3C2)cc1 ZINC000511608344 840535036 /nfs/dbraw/zinc/53/50/36/840535036.db2.gz DFKOPGUJFIQJEN-UHFFFAOYSA-N 2 1 385.577 3.768 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000511608344 840535040 /nfs/dbraw/zinc/53/50/40/840535040.db2.gz DFKOPGUJFIQJEN-UHFFFAOYSA-N 2 1 385.577 3.768 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000511608344 840535048 /nfs/dbraw/zinc/53/50/48/840535048.db2.gz DFKOPGUJFIQJEN-UHFFFAOYSA-N 2 1 385.577 3.768 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1)C(C)C ZINC000584779371 840837465 /nfs/dbraw/zinc/83/74/65/840837465.db2.gz LYBLMMFLNLOHBO-RBBKRZOGSA-N 2 1 383.511 3.623 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)C2 ZINC000660657322 841064711 /nfs/dbraw/zinc/06/47/11/841064711.db2.gz PQIWAYOVZYQLMM-RUZDIDTESA-N 2 1 391.559 3.700 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C2 ZINC000660657322 841064722 /nfs/dbraw/zinc/06/47/22/841064722.db2.gz PQIWAYOVZYQLMM-RUZDIDTESA-N 2 1 391.559 3.700 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C2 ZINC000660657322 841064735 /nfs/dbraw/zinc/06/47/35/841064735.db2.gz PQIWAYOVZYQLMM-RUZDIDTESA-N 2 1 391.559 3.700 20 0 GHADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)N1CCCc2ccccc21 ZINC000660675045 841089135 /nfs/dbraw/zinc/08/91/35/841089135.db2.gz FVRBICWSBZJJIO-UHFFFAOYSA-N 2 1 377.532 3.610 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000126487268 841151324 /nfs/dbraw/zinc/15/13/24/841151324.db2.gz PZBLFGRUWNDPPV-QFIPXVFZSA-N 2 1 395.551 3.662 20 0 GHADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581408467 841283694 /nfs/dbraw/zinc/28/36/94/841283694.db2.gz SUMXYILHZFXFMT-WOJBJXKFSA-N 2 1 385.577 3.712 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC1(C)C ZINC000623551796 861194533 /nfs/dbraw/zinc/19/45/33/861194533.db2.gz ILBQGVAASJNUFO-IBGZPJMESA-N 2 1 394.401 3.876 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000364227379 841442854 /nfs/dbraw/zinc/44/28/54/841442854.db2.gz WRQWBXJVWSALSR-UHFFFAOYSA-N 2 1 397.567 3.828 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCC4(CCCO4)CC3)CC2)cs1 ZINC000581463202 841447991 /nfs/dbraw/zinc/44/79/91/841447991.db2.gz JJKYVHZGMLSQNQ-UHFFFAOYSA-N 2 1 377.598 3.999 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000660338896 841451032 /nfs/dbraw/zinc/45/10/32/841451032.db2.gz MOOSPVXSVYLDFA-UYAOXDASSA-N 2 1 392.613 3.552 20 0 GHADMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc(C(F)(F)F)c1 ZINC000623563949 861207678 /nfs/dbraw/zinc/20/76/78/861207678.db2.gz ODWFLJSZDJCHEC-IBGZPJMESA-N 2 1 394.437 3.570 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc3c2CC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000662797001 841648582 /nfs/dbraw/zinc/64/85/82/841648582.db2.gz FNWQOSKQAGHDHL-FCHUYYIVSA-N 2 1 399.485 3.564 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc3c2CC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000662797001 841648586 /nfs/dbraw/zinc/64/85/86/841648586.db2.gz FNWQOSKQAGHDHL-FCHUYYIVSA-N 2 1 399.485 3.564 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC000581616353 841790048 /nfs/dbraw/zinc/79/00/48/841790048.db2.gz JYRUZHSDNXOMJR-IBGZPJMESA-N 2 1 397.485 3.603 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H](OCc2csc(C)n2)[C@H]2OCCC[C@H]21 ZINC001167826956 842063070 /nfs/dbraw/zinc/06/30/70/842063070.db2.gz ZNDMRFKJHLNEDS-ZXNZYJFHSA-N 2 1 395.613 3.710 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663516370 842068264 /nfs/dbraw/zinc/06/82/64/842068264.db2.gz SDIRELRYCQNYNW-HSZRJFAPSA-N 2 1 398.595 3.594 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001167828323 842116192 /nfs/dbraw/zinc/11/61/92/842116192.db2.gz XKOLOTVFICNEBO-JOCHJYFZSA-N 3 1 387.612 3.864 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001167828323 842116199 /nfs/dbraw/zinc/11/61/99/842116199.db2.gz XKOLOTVFICNEBO-JOCHJYFZSA-N 2 1 387.612 3.864 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000625243555 861288001 /nfs/dbraw/zinc/28/80/01/861288001.db2.gz HDAGFSAZTJMGTQ-YUXAGFNASA-N 2 1 379.548 3.577 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)C1 ZINC000652347314 842325870 /nfs/dbraw/zinc/32/58/70/842325870.db2.gz YGWWTBHGINOKNV-XPNTWCBSSA-N 2 1 393.531 3.657 20 0 GHADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1cccc2ccccc21 ZINC000652360701 842368557 /nfs/dbraw/zinc/36/85/57/842368557.db2.gz ODMMFOPAVLVEAJ-PTUXOGIPSA-N 2 1 395.547 3.554 20 0 GHADMP COCCC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000278967089 842392874 /nfs/dbraw/zinc/39/28/74/842392874.db2.gz NBUKAKLRCAKNJQ-QAPCUYQASA-N 2 1 392.341 3.966 20 0 GHADMP Brc1cccc(C2CC([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000432410085 842405454 /nfs/dbraw/zinc/40/54/54/842405454.db2.gz LREDTMDNGOOXQW-UHFFFAOYSA-N 2 1 393.369 3.930 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc2cnccc21 ZINC000430677132 842454024 /nfs/dbraw/zinc/45/40/24/842454024.db2.gz IZOMMRBSLTXZDN-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](CC)CC)cc1 ZINC000432435157 842490811 /nfs/dbraw/zinc/49/08/11/842490811.db2.gz POSDNTDPNJXALX-FSSWDIPSSA-N 2 1 386.584 3.558 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1=CC[NH+](C)CC1 ZINC000510486767 842533212 /nfs/dbraw/zinc/53/32/12/842533212.db2.gz AVYLYRDVYGQPOD-MOPGFXCFSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)C1=CC[N@H+](C)CC1 ZINC000510486767 842533218 /nfs/dbraw/zinc/53/32/18/842533218.db2.gz AVYLYRDVYGQPOD-MOPGFXCFSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)C1=CC[N@@H+](C)CC1 ZINC000510486767 842533225 /nfs/dbraw/zinc/53/32/25/842533225.db2.gz AVYLYRDVYGQPOD-MOPGFXCFSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000279068562 842550908 /nfs/dbraw/zinc/55/09/08/842550908.db2.gz ZWKDWWHGOOLXAW-YQVWRLOYSA-N 2 1 387.499 3.883 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1OC ZINC000474893568 861326236 /nfs/dbraw/zinc/32/62/36/861326236.db2.gz YEYDZVUCBBNYHZ-MOPGFXCFSA-N 2 1 390.568 3.821 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000165129460 842978833 /nfs/dbraw/zinc/97/88/33/842978833.db2.gz PWEMVVFBARCMRL-QGZVFWFLSA-N 2 1 376.504 3.776 20 0 GHADMP CCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662252963 843019765 /nfs/dbraw/zinc/01/97/65/843019765.db2.gz FAYKHPUJMNWZLC-UHFFFAOYSA-N 2 1 391.559 3.849 20 0 GHADMP FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662256460 843022493 /nfs/dbraw/zinc/02/24/93/843022493.db2.gz JMCNRKAYUDXZKA-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662256460 843022501 /nfs/dbraw/zinc/02/25/01/843022501.db2.gz JMCNRKAYUDXZKA-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430820859 843023785 /nfs/dbraw/zinc/02/37/85/843023785.db2.gz JUIOSQHOUZDPNX-MDNUFGMLSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430820859 843023795 /nfs/dbraw/zinc/02/37/95/843023795.db2.gz JUIOSQHOUZDPNX-MDNUFGMLSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430820859 843023797 /nfs/dbraw/zinc/02/37/97/843023797.db2.gz JUIOSQHOUZDPNX-MDNUFGMLSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430820859 843023807 /nfs/dbraw/zinc/02/38/07/843023807.db2.gz JUIOSQHOUZDPNX-MDNUFGMLSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000178462150 861370755 /nfs/dbraw/zinc/37/07/55/861370755.db2.gz LGELPSVSYPJKRZ-HOTGVXAUSA-N 2 1 398.532 3.964 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000662294687 843087461 /nfs/dbraw/zinc/08/74/61/843087461.db2.gz DRZSNDZNOXQJBS-OFNKIYASSA-N 2 1 397.588 3.665 20 0 GHADMP COc1cc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(OC)cc1Cl ZINC000662313370 843133605 /nfs/dbraw/zinc/13/36/05/843133605.db2.gz KUYTZQJXCJLEFB-RHSMWYFYSA-N 2 1 397.947 3.525 20 0 GHADMP COC1(c2noc(CC3CC[NH+](CC[C@H]4CCCC[N@H+]4C)CC3)n2)CCCC1 ZINC000662377755 843178406 /nfs/dbraw/zinc/17/84/06/843178406.db2.gz QMQCMRIXYHLESY-LJQANCHMSA-N 2 1 390.572 3.614 20 0 GHADMP Brc1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000510677271 843181731 /nfs/dbraw/zinc/18/17/31/843181731.db2.gz AQSBRBPGIULSNR-GOSISDBHSA-N 2 1 379.342 3.671 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000178712025 861400842 /nfs/dbraw/zinc/40/08/42/861400842.db2.gz WWHLOJAFUYISFX-GJYPPUQNSA-N 2 1 380.374 3.595 20 0 GHADMP COc1ccc(OCc2ccccn2)c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347534 843271763 /nfs/dbraw/zinc/27/17/63/843271763.db2.gz NSDBRWTWMWHAGK-HXUWFJFHSA-N 2 1 395.547 3.881 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347534 843271770 /nfs/dbraw/zinc/27/17/70/843271770.db2.gz NSDBRWTWMWHAGK-HXUWFJFHSA-N 2 1 395.547 3.881 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347534 843271778 /nfs/dbraw/zinc/27/17/78/843271778.db2.gz NSDBRWTWMWHAGK-HXUWFJFHSA-N 2 1 395.547 3.881 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662460144 843290658 /nfs/dbraw/zinc/29/06/58/843290658.db2.gz QMHIOSKKDKHXBM-DXIQSLLYSA-N 2 1 383.580 3.792 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000662509325 843358502 /nfs/dbraw/zinc/35/85/02/843358502.db2.gz LTJHKZWQEQBZJF-UHFFFAOYSA-N 2 1 394.338 3.736 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000066960577 843382859 /nfs/dbraw/zinc/38/28/59/843382859.db2.gz OCBNKKMBEFBFHL-LJQANCHMSA-N 2 1 398.595 3.659 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432669200 843392306 /nfs/dbraw/zinc/39/23/06/843392306.db2.gz OYVOTUYZBGRIBB-UWJYYQICSA-N 2 1 395.572 3.670 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432669200 843392315 /nfs/dbraw/zinc/39/23/15/843392315.db2.gz OYVOTUYZBGRIBB-UWJYYQICSA-N 2 1 395.572 3.670 20 0 GHADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681686 843515805 /nfs/dbraw/zinc/51/58/05/843515805.db2.gz BDLNSDXBNYOPPE-FQEVSTJZSA-N 2 1 395.572 3.638 20 0 GHADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681686 843515813 /nfs/dbraw/zinc/51/58/13/843515813.db2.gz BDLNSDXBNYOPPE-FQEVSTJZSA-N 2 1 395.572 3.638 20 0 GHADMP CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000431096105 843590173 /nfs/dbraw/zinc/59/01/73/843590173.db2.gz IHFVDTXKXVUOID-QHCPKHFHSA-N 2 1 397.588 3.686 20 0 GHADMP CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000431096105 843590175 /nfs/dbraw/zinc/59/01/75/843590175.db2.gz IHFVDTXKXVUOID-QHCPKHFHSA-N 2 1 397.588 3.686 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466837 843664773 /nfs/dbraw/zinc/66/47/73/843664773.db2.gz ALEATDDTZJDNDK-NVXWUHKLSA-N 2 1 393.959 3.777 20 0 GHADMP CN(c1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000092436904 843824530 /nfs/dbraw/zinc/82/45/30/843824530.db2.gz IOOPWJZZULQXSX-QHCPKHFHSA-N 2 1 397.563 3.991 20 0 GHADMP CN(c1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000092436904 843824542 /nfs/dbraw/zinc/82/45/42/843824542.db2.gz IOOPWJZZULQXSX-QHCPKHFHSA-N 2 1 397.563 3.991 20 0 GHADMP C[NH+](C)C[C@](C)(O)CNc1cc(C2CC2)[nH+]c2c(Br)cccc12 ZINC000432828213 844001813 /nfs/dbraw/zinc/00/18/13/844001813.db2.gz HGPYVWWWRJCHIN-GOSISDBHSA-N 2 1 378.314 3.599 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(CC(C)C)cc3)CC2)CC1 ZINC000731214600 861506582 /nfs/dbraw/zinc/50/65/82/861506582.db2.gz JYWPABAJQSSHIR-UHFFFAOYSA-N 2 1 385.596 3.651 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000512676813 845003883 /nfs/dbraw/zinc/00/38/83/845003883.db2.gz FCHPLLJJHREGFP-HDICACEKSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000512676813 845003897 /nfs/dbraw/zinc/00/38/97/845003897.db2.gz FCHPLLJJHREGFP-HDICACEKSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)CC1 ZINC000513203662 845045760 /nfs/dbraw/zinc/04/57/60/845045760.db2.gz IACYIICPDFMQPK-SEVLPDGMSA-N 2 1 380.523 3.856 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2csc(N3CCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513226739 845090443 /nfs/dbraw/zinc/09/04/43/845090443.db2.gz MFJMBQWRGFKHFY-UYAOXDASSA-N 2 1 384.593 3.929 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2csc(N3CCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000513226739 845090451 /nfs/dbraw/zinc/09/04/51/845090451.db2.gz MFJMBQWRGFKHFY-UYAOXDASSA-N 2 1 384.593 3.929 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2csc(N3CCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513226738 845091852 /nfs/dbraw/zinc/09/18/52/845091852.db2.gz MFJMBQWRGFKHFY-QUCCMNQESA-N 2 1 384.593 3.929 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2csc(N3CCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000513226738 845091881 /nfs/dbraw/zinc/09/18/81/845091881.db2.gz MFJMBQWRGFKHFY-QUCCMNQESA-N 2 1 384.593 3.929 20 0 GHADMP C[C@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512704107 845099225 /nfs/dbraw/zinc/09/92/25/845099225.db2.gz WVZWDJRZMXITKN-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(-n2cnnn2)cc1 ZINC000510995553 845346665 /nfs/dbraw/zinc/34/66/65/845346665.db2.gz FGTAHLBRPVDMTK-PGRDOPGGSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(-n2cnnn2)cc1 ZINC000510995553 845346682 /nfs/dbraw/zinc/34/66/82/845346682.db2.gz FGTAHLBRPVDMTK-PGRDOPGGSA-N 2 1 390.535 3.614 20 0 GHADMP CCOc1ccccc1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393325 861560617 /nfs/dbraw/zinc/56/06/17/861560617.db2.gz ZTSLOJIHCZBECV-UHFFFAOYSA-N 2 1 396.535 3.657 20 0 GHADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391555 861561363 /nfs/dbraw/zinc/56/13/63/861561363.db2.gz ZDDMLQABHGJYCC-QGZVFWFLSA-N 2 1 384.499 3.786 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)CC1 ZINC000513416727 845412871 /nfs/dbraw/zinc/41/28/71/845412871.db2.gz WFSCFQBTOGUOON-JOCHJYFZSA-N 2 1 389.547 3.625 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CC1 ZINC000513416729 845413007 /nfs/dbraw/zinc/41/30/07/845413007.db2.gz WFSCFQBTOGUOON-QFIPXVFZSA-N 2 1 389.547 3.625 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000513488685 845522093 /nfs/dbraw/zinc/52/20/93/845522093.db2.gz ZIXYKBALCTUAAR-FYYLOGMGSA-N 2 1 393.575 3.914 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000249299165 845532947 /nfs/dbraw/zinc/53/29/47/845532947.db2.gz RTTIXLFHHUPFGB-BJKOFHAPSA-N 2 1 387.612 3.771 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000411537767 845561447 /nfs/dbraw/zinc/56/14/47/845561447.db2.gz JSUCCUCMMRJBGE-HROJSSOGSA-N 2 1 395.547 3.770 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000433948975 845648398 /nfs/dbraw/zinc/64/83/98/845648398.db2.gz HYDDUMXDSRIKCN-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433948975 845648401 /nfs/dbraw/zinc/64/84/01/845648401.db2.gz HYDDUMXDSRIKCN-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433948975 845648403 /nfs/dbraw/zinc/64/84/03/845648403.db2.gz HYDDUMXDSRIKCN-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4sccc43)c2)C1 ZINC000156937812 845763960 /nfs/dbraw/zinc/76/39/60/845763960.db2.gz XLLGXBHNGRYJFX-UYAOXDASSA-N 2 1 383.561 3.613 20 0 GHADMP CSCC[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536427405 845787680 /nfs/dbraw/zinc/78/76/80/845787680.db2.gz WYPQNFYRRZXKFD-APWZRJJASA-N 2 1 398.016 3.667 20 0 GHADMP CSCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536427405 845787682 /nfs/dbraw/zinc/78/76/82/845787682.db2.gz WYPQNFYRRZXKFD-APWZRJJASA-N 2 1 398.016 3.667 20 0 GHADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000563212175 845946026 /nfs/dbraw/zinc/94/60/26/845946026.db2.gz USMUPRUUPZIGNN-UYAOXDASSA-N 2 1 387.549 3.537 20 0 GHADMP Clc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC3 ZINC000655779659 846310511 /nfs/dbraw/zinc/31/05/11/846310511.db2.gz PWBJOSGPEWIMDJ-ROUUACIJSA-N 2 1 387.955 3.912 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072092408 846408131 /nfs/dbraw/zinc/40/81/31/846408131.db2.gz SARZMWFXSUBNHF-QHCPKHFHSA-N 2 1 379.548 3.761 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000501011910 846539987 /nfs/dbraw/zinc/53/99/87/846539987.db2.gz SVFRCXCIEXURNC-LJQANCHMSA-N 2 1 383.502 3.911 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501053963 846604122 /nfs/dbraw/zinc/60/41/22/846604122.db2.gz PCGSUYDLMAQJQR-UHFFFAOYSA-N 2 1 380.536 3.992 20 0 GHADMP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501084310 846627982 /nfs/dbraw/zinc/62/79/82/846627982.db2.gz FHAFCMNXFGPJIQ-WOJBJXKFSA-N 2 1 394.563 3.538 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272276494 847035398 /nfs/dbraw/zinc/03/53/98/847035398.db2.gz CJVUKVYULNNJRQ-IFMALSPDSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272293597 847039760 /nfs/dbraw/zinc/03/97/60/847039760.db2.gz FQMMWDJCDFTKLX-WAOWUJCRSA-N 2 1 377.532 3.767 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501663272 847083735 /nfs/dbraw/zinc/08/37/35/847083735.db2.gz AUSQKLSTLHGSRZ-SFTDATJTSA-N 2 1 397.567 3.744 20 0 GHADMP C[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272527926 847100848 /nfs/dbraw/zinc/10/08/48/847100848.db2.gz AOKFPRHPYPBING-UNMCSNQZSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420390936 847156120 /nfs/dbraw/zinc/15/61/20/847156120.db2.gz IARUXVHGRALZPG-DHSIGJKJSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420390936 847156123 /nfs/dbraw/zinc/15/61/23/847156123.db2.gz IARUXVHGRALZPG-DHSIGJKJSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000420399868 847160468 /nfs/dbraw/zinc/16/04/68/847160468.db2.gz IIKMQIQXWURZTJ-DDUZABMNSA-N 2 1 384.351 3.574 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000420399868 847160472 /nfs/dbraw/zinc/16/04/72/847160472.db2.gz IIKMQIQXWURZTJ-DDUZABMNSA-N 2 1 384.351 3.574 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000501768636 847163172 /nfs/dbraw/zinc/16/31/72/847163172.db2.gz COSHKYFCFQUMMC-UHFFFAOYSA-N 2 1 383.330 3.732 20 0 GHADMP CN(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420412005 847175492 /nfs/dbraw/zinc/17/54/92/847175492.db2.gz ZAGYOYSZFLAQST-PKTZIBPZSA-N 2 1 391.559 3.698 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420412005 847175499 /nfs/dbraw/zinc/17/54/99/847175499.db2.gz ZAGYOYSZFLAQST-PKTZIBPZSA-N 2 1 391.559 3.698 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657429167 847229129 /nfs/dbraw/zinc/22/91/29/847229129.db2.gz GBWXAROLDORPBV-FQEVSTJZSA-N 2 1 384.495 3.613 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657429167 847229137 /nfs/dbraw/zinc/22/91/37/847229137.db2.gz GBWXAROLDORPBV-FQEVSTJZSA-N 2 1 384.495 3.613 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000626017049 847614515 /nfs/dbraw/zinc/61/45/15/847614515.db2.gz UXWXBPLYNIOKPX-OUJCMCIWSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000626017049 847614521 /nfs/dbraw/zinc/61/45/21/847614521.db2.gz UXWXBPLYNIOKPX-OUJCMCIWSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000626017049 847614528 /nfs/dbraw/zinc/61/45/28/847614528.db2.gz UXWXBPLYNIOKPX-OUJCMCIWSA-N 2 1 391.559 3.501 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000657468744 847623170 /nfs/dbraw/zinc/62/31/70/847623170.db2.gz BTSDRPKPXNKROI-QGZVFWFLSA-N 2 1 380.458 3.831 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000657468744 847623174 /nfs/dbraw/zinc/62/31/74/847623174.db2.gz BTSDRPKPXNKROI-QGZVFWFLSA-N 2 1 380.458 3.831 20 0 GHADMP OCC[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](CCO)CC3)cc2)CC1 ZINC000421017496 847639062 /nfs/dbraw/zinc/63/90/62/847639062.db2.gz NIKFBVWIECKGGY-VXKWHMMOSA-N 2 1 388.596 3.656 20 0 GHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1OC ZINC000502258808 847666035 /nfs/dbraw/zinc/66/60/35/847666035.db2.gz VEFXAYBFGMWXRK-GOSISDBHSA-N 2 1 383.536 3.905 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)c1 ZINC000604111791 861823745 /nfs/dbraw/zinc/82/37/45/861823745.db2.gz RWRDOPBIGXJPQO-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000604111791 861823754 /nfs/dbraw/zinc/82/37/54/861823754.db2.gz RWRDOPBIGXJPQO-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000604111791 861823770 /nfs/dbraw/zinc/82/37/70/861823770.db2.gz RWRDOPBIGXJPQO-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000422631212 847741678 /nfs/dbraw/zinc/74/16/78/847741678.db2.gz FGYIORPNDZLFAL-PPULILFRSA-N 2 1 385.577 3.649 20 0 GHADMP COc1cc2c(c(C[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)c1)O[C@@H](C)C2 ZINC000502344952 847780264 /nfs/dbraw/zinc/78/02/64/847780264.db2.gz JJZRRZZNSCEBMM-IRXDYDNUSA-N 2 1 381.520 3.931 20 0 GHADMP C[C@H](NC(C)(C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422726152 847798491 /nfs/dbraw/zinc/79/84/91/847798491.db2.gz DGLCNGCSXUJNLX-NSXLHWASSA-N 2 1 379.548 3.961 20 0 GHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422858452 847858056 /nfs/dbraw/zinc/85/80/56/847858056.db2.gz IRVSJHFLJHXVFU-GVDBMIGSSA-N 2 1 383.517 3.803 20 0 GHADMP Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000422881482 847867725 /nfs/dbraw/zinc/86/77/25/847867725.db2.gz NVEAKWZCEUXNIZ-YADHBBJMSA-N 2 1 381.520 3.762 20 0 GHADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423032404 847948072 /nfs/dbraw/zinc/94/80/72/847948072.db2.gz MLLULOAASXUOIN-RCLSDMTESA-N 2 1 375.438 3.974 20 0 GHADMP COCc1cc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1OC ZINC000162289862 848882144 /nfs/dbraw/zinc/88/21/44/848882144.db2.gz ITURFSPNMBIIFD-MRXNPFEDSA-N 2 1 384.524 3.568 20 0 GHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000481658574 861963842 /nfs/dbraw/zinc/96/38/42/861963842.db2.gz NSMJBTBLUZPEDN-UWJYYQICSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000481658574 861963850 /nfs/dbraw/zinc/96/38/50/861963850.db2.gz NSMJBTBLUZPEDN-UWJYYQICSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000154326113 849242248 /nfs/dbraw/zinc/24/22/48/849242248.db2.gz DMEDDBIUIAMXHB-FGSXEWAUSA-N 2 1 382.552 3.624 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000583193012 849299949 /nfs/dbraw/zinc/29/99/49/849299949.db2.gz KOLPVGJGRZVZMC-KSEOMHKRSA-N 2 1 398.595 3.638 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCc1ccccc1 ZINC000657750726 849610843 /nfs/dbraw/zinc/61/08/43/849610843.db2.gz DKYJYPJRCWJQDZ-JOCHJYFZSA-N 2 1 396.531 3.617 20 0 GHADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)C1 ZINC000505550682 849851611 /nfs/dbraw/zinc/85/16/11/849851611.db2.gz MZVLWNQECNNKJM-VWLOTQADSA-N 2 1 391.559 3.633 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)C2)C1 ZINC000505550682 849851617 /nfs/dbraw/zinc/85/16/17/849851617.db2.gz MZVLWNQECNNKJM-VWLOTQADSA-N 2 1 391.559 3.633 20 0 GHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423333044 849869821 /nfs/dbraw/zinc/86/98/21/849869821.db2.gz NUMGQPVQJXDDOD-FCEUIQTBSA-N 2 1 398.547 3.769 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccccc1 ZINC000127027937 849884748 /nfs/dbraw/zinc/88/47/48/849884748.db2.gz IYLOFJWHFNZKLM-HSZRJFAPSA-N 2 1 395.547 3.522 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C ZINC000544236061 849954932 /nfs/dbraw/zinc/95/49/32/849954932.db2.gz LXBNBGHXKUCGBC-AZUAARDMSA-N 2 1 388.600 3.976 20 0 GHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000522551505 862075089 /nfs/dbraw/zinc/07/50/89/862075089.db2.gz LIYFZBQJXCQONY-SJLPKXTDSA-N 2 1 385.474 3.748 20 0 GHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000522551505 862075113 /nfs/dbraw/zinc/07/51/13/862075113.db2.gz LIYFZBQJXCQONY-SJLPKXTDSA-N 2 1 385.474 3.748 20 0 GHADMP Brc1cccc2c1CCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423524973 849967819 /nfs/dbraw/zinc/96/78/19/849967819.db2.gz XOKPWQGTYILIKB-ALLBUHFWSA-N 2 1 392.385 3.633 20 0 GHADMP [NH3+]C1(CN[C@@H]2CCSc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423559950 849970934 /nfs/dbraw/zinc/97/09/34/849970934.db2.gz JJVQLCCVKIKDLO-HXUWFJFHSA-N 2 1 385.552 3.946 20 0 GHADMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749968 849972648 /nfs/dbraw/zinc/97/26/48/849972648.db2.gz QHJBIQYIOURINU-CABCVRRESA-N 2 1 386.367 3.964 20 0 GHADMP COc1cc2c(c(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)c1)O[C@H](C)C2 ZINC000435060731 850036478 /nfs/dbraw/zinc/03/64/78/850036478.db2.gz MKLWJFDGWKSQOY-MRXNPFEDSA-N 2 1 381.520 3.931 20 0 GHADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CCN(c2cnccn2)CC1 ZINC000435061746 850038599 /nfs/dbraw/zinc/03/85/99/850038599.db2.gz SRPXBKUHTYYEIJ-UHFFFAOYSA-N 2 1 381.568 3.535 20 0 GHADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCN(c2cnccn2)CC1 ZINC000435061746 850038604 /nfs/dbraw/zinc/03/86/04/850038604.db2.gz SRPXBKUHTYYEIJ-UHFFFAOYSA-N 2 1 381.568 3.535 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000435061746 850038617 /nfs/dbraw/zinc/03/86/17/850038617.db2.gz SRPXBKUHTYYEIJ-UHFFFAOYSA-N 2 1 381.568 3.535 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000435061746 850038631 /nfs/dbraw/zinc/03/86/31/850038631.db2.gz SRPXBKUHTYYEIJ-UHFFFAOYSA-N 2 1 381.568 3.535 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000600473392 862086938 /nfs/dbraw/zinc/08/69/38/862086938.db2.gz DWCQBHCAMPLXPG-OAQYLSRUSA-N 2 1 389.559 3.810 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000423837683 850070273 /nfs/dbraw/zinc/07/02/73/850070273.db2.gz BGQVJXCJARJSRM-IBGZPJMESA-N 2 1 377.532 3.835 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000664372733 850144201 /nfs/dbraw/zinc/14/42/01/850144201.db2.gz IONLRSGRWDQFTM-KRWDZBQOSA-N 2 1 395.551 3.663 20 0 GHADMP CCc1cc(C)cc(CC)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000435187040 850198504 /nfs/dbraw/zinc/19/85/04/850198504.db2.gz HGBRAOMWIGBOFF-NRFANRHFSA-N 2 1 388.600 4.000 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743182 850225240 /nfs/dbraw/zinc/22/52/40/850225240.db2.gz UHUIBKHHBNVZAP-DHIUTWEWSA-N 2 1 396.531 3.671 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(=O)OC)cc1 ZINC000514743185 850225279 /nfs/dbraw/zinc/22/52/79/850225279.db2.gz UHUIBKHHBNVZAP-XZOQPEGZSA-N 2 1 396.531 3.671 20 0 GHADMP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486967358 850283225 /nfs/dbraw/zinc/28/32/25/850283225.db2.gz CYCBBRBRZARTEQ-SESVDKBCSA-N 2 1 388.600 3.563 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)CC2)cs1 ZINC000424312845 850356497 /nfs/dbraw/zinc/35/64/97/850356497.db2.gz NDHUOYOVYXZVHL-LAGDQHSMSA-N 2 1 377.598 3.711 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1)CC[NH2+]CC2 ZINC000424302038 850371361 /nfs/dbraw/zinc/37/13/61/850371361.db2.gz YUESZZBTWQJQTQ-IBGZPJMESA-N 2 1 377.532 3.680 20 0 GHADMP Cn1ccnc1C[N@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435430997 850489103 /nfs/dbraw/zinc/48/91/03/850489103.db2.gz AZXDONUSLACABM-QFIPXVFZSA-N 2 1 387.531 3.626 20 0 GHADMP Cn1ccnc1C[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435430997 850489114 /nfs/dbraw/zinc/48/91/14/850489114.db2.gz AZXDONUSLACABM-QFIPXVFZSA-N 2 1 387.531 3.626 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000504982884 850500379 /nfs/dbraw/zinc/50/03/79/850500379.db2.gz KWIZCDSMCRIWLS-GOSISDBHSA-N 2 1 394.629 3.504 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000504982884 850500389 /nfs/dbraw/zinc/50/03/89/850500389.db2.gz KWIZCDSMCRIWLS-GOSISDBHSA-N 2 1 394.629 3.504 20 0 GHADMP c1cc(C[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430482 850514465 /nfs/dbraw/zinc/51/44/65/850514465.db2.gz BXQOHXNEODUYCD-FQEVSTJZSA-N 2 1 382.577 3.888 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)c2)C[C@@H](C)O1 ZINC000439958191 850627755 /nfs/dbraw/zinc/62/77/55/850627755.db2.gz QSXCQNKUMHEAOK-HMFYCAOWSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)c2)C[C@@H](C)O1 ZINC000439958191 850627761 /nfs/dbraw/zinc/62/77/61/850627761.db2.gz QSXCQNKUMHEAOK-HMFYCAOWSA-N 2 1 385.552 3.641 20 0 GHADMP CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435617583 850702738 /nfs/dbraw/zinc/70/27/38/850702738.db2.gz WJAFEZULGOVJDO-RXVVDRJESA-N 2 1 389.540 3.557 20 0 GHADMP CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435617583 850702748 /nfs/dbraw/zinc/70/27/48/850702748.db2.gz WJAFEZULGOVJDO-RXVVDRJESA-N 2 1 389.540 3.557 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694582 850775498 /nfs/dbraw/zinc/77/54/98/850775498.db2.gz MBKZMANXEWNCHQ-LJQANCHMSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435694582 850775504 /nfs/dbraw/zinc/77/55/04/850775504.db2.gz MBKZMANXEWNCHQ-LJQANCHMSA-N 2 1 383.561 3.948 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000732278840 862172228 /nfs/dbraw/zinc/17/22/28/862172228.db2.gz WDEYZSYKHQTETO-LJQANCHMSA-N 2 1 383.580 3.594 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000732278840 862172238 /nfs/dbraw/zinc/17/22/38/862172238.db2.gz WDEYZSYKHQTETO-LJQANCHMSA-N 2 1 383.580 3.594 20 0 GHADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000604388770 862172495 /nfs/dbraw/zinc/17/24/95/862172495.db2.gz CFPKGLZJMWVRKU-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000604388770 862172510 /nfs/dbraw/zinc/17/25/10/862172510.db2.gz CFPKGLZJMWVRKU-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000487782209 850886809 /nfs/dbraw/zinc/88/68/09/850886809.db2.gz LIGRDNNNQIOEHI-XXBNENTESA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000440187036 850895462 /nfs/dbraw/zinc/89/54/62/850895462.db2.gz CBZYZNUGSKYRGT-KWVXMBPFSA-N 2 1 390.616 3.544 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000487927578 850997056 /nfs/dbraw/zinc/99/70/56/850997056.db2.gz ZXQTVIPRIVJGFV-IFMALSPDSA-N 2 1 388.600 3.705 20 0 GHADMP CCCOc1c(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262009245 851103349 /nfs/dbraw/zinc/10/33/49/851103349.db2.gz MDTNYKVQILJZSK-UHFFFAOYSA-N 2 1 397.357 3.822 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000514005643 851135628 /nfs/dbraw/zinc/13/56/28/851135628.db2.gz OGSAZFWUPKCXEL-UHFFFAOYSA-N 2 1 382.346 3.582 20 0 GHADMP CCC1(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021508 851155184 /nfs/dbraw/zinc/15/51/84/851155184.db2.gz AJDCOFVTJXRRIN-FPOVZHCZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000488172397 851223720 /nfs/dbraw/zinc/22/37/20/851223720.db2.gz VOHJKQQMDXPUDV-SXWKCWPCSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000514139309 851304774 /nfs/dbraw/zinc/30/47/74/851304774.db2.gz YSPGIVWSDZCPTG-IFMALSPDSA-N 2 1 386.584 3.633 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)cc3Br)CC2)C1 ZINC000415117788 851352800 /nfs/dbraw/zinc/35/28/00/851352800.db2.gz CIMUOGVCPSWMPH-WBVHZDCISA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514214400 851395918 /nfs/dbraw/zinc/39/59/18/851395918.db2.gz MYMMQPGMNDRKNP-FPOVZHCZSA-N 2 1 386.584 3.633 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000488427527 851494781 /nfs/dbraw/zinc/49/47/81/851494781.db2.gz VAOBHLWRJWWJID-UGKGYDQZSA-N 2 1 392.609 3.796 20 0 GHADMP c1ccc(CC2CC[NH+](CCNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167960725 851531250 /nfs/dbraw/zinc/53/12/50/851531250.db2.gz AJYPLMVGVJWCLS-QILAJZQNSA-N 2 1 381.608 3.936 20 0 GHADMP c1ccc(CC2CCN(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167960725 851531256 /nfs/dbraw/zinc/53/12/56/851531256.db2.gz AJYPLMVGVJWCLS-QILAJZQNSA-N 2 1 381.608 3.936 20 0 GHADMP c1ccc(CC2CCN(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167960725 851531260 /nfs/dbraw/zinc/53/12/60/851531260.db2.gz AJYPLMVGVJWCLS-QILAJZQNSA-N 2 1 381.608 3.936 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000101604336 851724068 /nfs/dbraw/zinc/72/40/68/851724068.db2.gz MPHCEQWMXFDTAG-UHFFFAOYSA-N 2 1 394.563 3.921 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1Cl ZINC000042911062 851798560 /nfs/dbraw/zinc/79/85/60/851798560.db2.gz GYBYSNBGDOKPHY-QGZVFWFLSA-N 2 1 380.964 3.551 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C\C=C(Cl)Cl ZINC000896875078 862309790 /nfs/dbraw/zinc/30/97/90/862309790.db2.gz VXHNCFBUNAMYPG-HYXAFXHYSA-N 2 1 388.383 3.516 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)c1 ZINC000489185179 852099142 /nfs/dbraw/zinc/09/91/42/852099142.db2.gz NUNZKNNXSJFWQY-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000489185179 852099148 /nfs/dbraw/zinc/09/91/48/852099148.db2.gz NUNZKNNXSJFWQY-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000489185179 852099152 /nfs/dbraw/zinc/09/91/52/852099152.db2.gz NUNZKNNXSJFWQY-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP CC(C)Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550263471 852231396 /nfs/dbraw/zinc/23/13/96/852231396.db2.gz NQMIIYQAKDOQQK-HSZRJFAPSA-N 2 1 396.579 3.558 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000506879327 852280913 /nfs/dbraw/zinc/28/09/13/852280913.db2.gz BYQWCCWMKBRIBM-UHFFFAOYSA-N 3 1 386.628 3.772 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000517702644 852290194 /nfs/dbraw/zinc/29/01/94/852290194.db2.gz IMPVFQZVSWGQPS-DENIHFKCSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000517702644 852290202 /nfs/dbraw/zinc/29/02/02/852290202.db2.gz IMPVFQZVSWGQPS-DENIHFKCSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000517702644 852290214 /nfs/dbraw/zinc/29/02/14/852290214.db2.gz IMPVFQZVSWGQPS-DENIHFKCSA-N 2 1 386.584 3.735 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000517702649 852290251 /nfs/dbraw/zinc/29/02/51/852290251.db2.gz IMPVFQZVSWGQPS-KNQAVFIVSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000517702649 852290262 /nfs/dbraw/zinc/29/02/62/852290262.db2.gz IMPVFQZVSWGQPS-KNQAVFIVSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000517702649 852290276 /nfs/dbraw/zinc/29/02/76/852290276.db2.gz IMPVFQZVSWGQPS-KNQAVFIVSA-N 2 1 386.584 3.735 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4F)c(F)c3)C2)nn1 ZINC000517722850 852309983 /nfs/dbraw/zinc/30/99/83/852309983.db2.gz XGEKZEXRJVBROA-KRWDZBQOSA-N 2 1 399.445 3.644 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000506933414 852360287 /nfs/dbraw/zinc/36/02/87/852360287.db2.gz OLYIYZSWBJWYGR-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000438549989 852561490 /nfs/dbraw/zinc/56/14/90/852561490.db2.gz HHHZTHLHRVPWHC-HSZRJFAPSA-N 2 1 383.580 3.561 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000438549989 852561496 /nfs/dbraw/zinc/56/14/96/852561496.db2.gz HHHZTHLHRVPWHC-HSZRJFAPSA-N 2 1 383.580 3.561 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000438549989 852561508 /nfs/dbraw/zinc/56/15/08/852561508.db2.gz HHHZTHLHRVPWHC-HSZRJFAPSA-N 2 1 383.580 3.561 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489786952 852585824 /nfs/dbraw/zinc/58/58/24/852585824.db2.gz NYLJGNONTAGGHL-COPCDDAFSA-N 2 1 386.584 3.591 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)COc1ccc(Cl)cc1 ZINC000516563076 852727250 /nfs/dbraw/zinc/72/72/50/852727250.db2.gz RGFYGPDIUMFSKQ-AEFFLSMTSA-N 2 1 394.968 3.643 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)COc1ccc(Cl)cc1 ZINC000516563076 852727261 /nfs/dbraw/zinc/72/72/61/852727261.db2.gz RGFYGPDIUMFSKQ-AEFFLSMTSA-N 2 1 394.968 3.643 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414942765 852731547 /nfs/dbraw/zinc/73/15/47/852731547.db2.gz MXATWDQTSYOEBR-UHFFFAOYSA-N 2 1 391.357 3.990 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000426173698 852925082 /nfs/dbraw/zinc/92/50/82/852925082.db2.gz IRNQYCQVHABJDB-SIKLNZKXSA-N 2 1 382.548 3.876 20 0 GHADMP CCc1cccnc1[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000507460764 852933769 /nfs/dbraw/zinc/93/37/69/852933769.db2.gz JIXCRTFFZOZLSI-IBGZPJMESA-N 2 1 397.563 3.984 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000516730138 852941343 /nfs/dbraw/zinc/94/13/43/852941343.db2.gz GVKGCVKRNHZABV-SFHVURJKSA-N 2 1 391.519 3.708 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000506032546 853012413 /nfs/dbraw/zinc/01/24/13/853012413.db2.gz XTKDTZMPFQNWDS-UHFFFAOYSA-N 2 1 397.563 3.786 20 0 GHADMP Cc1ccc2cc(C[NH+]3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)ccc2n1 ZINC000516919613 853156907 /nfs/dbraw/zinc/15/69/07/853156907.db2.gz NDKULTFWAOLMRN-WOJBJXKFSA-N 2 1 397.563 3.633 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000437473894 853176443 /nfs/dbraw/zinc/17/64/43/853176443.db2.gz MSEMPRGEYRLJKZ-NHCUHLMSSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000437473894 853176446 /nfs/dbraw/zinc/17/64/46/853176446.db2.gz MSEMPRGEYRLJKZ-NHCUHLMSSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000437473894 853176451 /nfs/dbraw/zinc/17/64/51/853176451.db2.gz MSEMPRGEYRLJKZ-NHCUHLMSSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000437473894 853176455 /nfs/dbraw/zinc/17/64/55/853176455.db2.gz MSEMPRGEYRLJKZ-NHCUHLMSSA-N 2 1 391.559 3.556 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc(OC)c1OCc1ccccc1 ZINC000414980043 853258913 /nfs/dbraw/zinc/25/89/13/853258913.db2.gz WETZTJHUMKXSHR-OAQYLSRUSA-N 2 1 384.520 3.761 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000440543142 853342548 /nfs/dbraw/zinc/34/25/48/853342548.db2.gz AAPVNVOGCXPJKO-DHIUTWEWSA-N 2 1 385.596 3.868 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167987922 853392349 /nfs/dbraw/zinc/39/23/49/853392349.db2.gz NPWRJMDURXBBHC-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167987922 853392354 /nfs/dbraw/zinc/39/23/54/853392354.db2.gz NPWRJMDURXBBHC-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167987922 853392356 /nfs/dbraw/zinc/39/23/56/853392356.db2.gz NPWRJMDURXBBHC-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP c1cn(-c2csc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000519728403 853412226 /nfs/dbraw/zinc/41/22/26/853412226.db2.gz DZUHPXQGRMUVNB-UXHICEINSA-N 2 1 378.545 3.888 20 0 GHADMP c1cn(-c2csc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000519728403 853412236 /nfs/dbraw/zinc/41/22/36/853412236.db2.gz DZUHPXQGRMUVNB-UXHICEINSA-N 2 1 378.545 3.888 20 0 GHADMP c1cn(-c2csc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000519728403 853412245 /nfs/dbraw/zinc/41/22/45/853412245.db2.gz DZUHPXQGRMUVNB-UXHICEINSA-N 2 1 378.545 3.888 20 0 GHADMP COc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccc(F)cc2)cc1 ZINC000491054601 853428873 /nfs/dbraw/zinc/42/88/73/853428873.db2.gz QUZFVPYKUJZNRA-DEOSSOPVSA-N 2 1 399.554 3.787 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000437852481 853605038 /nfs/dbraw/zinc/60/50/38/853605038.db2.gz QKHXKCOFGZQNRC-HSZRJFAPSA-N 2 1 383.580 3.812 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000426387537 853660054 /nfs/dbraw/zinc/66/00/54/853660054.db2.gz BWFXFLMMHLRBFZ-UHFFFAOYSA-N 2 1 380.467 3.896 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000415988647 853666592 /nfs/dbraw/zinc/66/65/92/853666592.db2.gz JKYRZSBWSTZCGE-QFIPXVFZSA-N 2 1 380.536 3.610 20 0 GHADMP COc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc(C(F)(F)F)c1 ZINC001212145194 853677005 /nfs/dbraw/zinc/67/70/05/853677005.db2.gz NHGRDEDAYQIZAZ-HNNXBMFYSA-N 2 1 386.418 3.932 20 0 GHADMP COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c2ccccc12 ZINC000518747678 853724626 /nfs/dbraw/zinc/72/46/26/853724626.db2.gz SEDUVWPIVBMFKY-OAQYLSRUSA-N 2 1 395.572 3.988 20 0 GHADMP COc1ccc(Br)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1 ZINC001212145630 853741074 /nfs/dbraw/zinc/74/10/74/853741074.db2.gz ZORMTSGSHYXDPB-HNNXBMFYSA-N 2 1 397.317 3.676 20 0 GHADMP CSc1ccc(CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000520231749 853977461 /nfs/dbraw/zinc/97/74/61/853977461.db2.gz BTWRPOKBWQMEJR-UHFFFAOYSA-N 2 1 384.549 3.517 20 0 GHADMP C(CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441218311 853991557 /nfs/dbraw/zinc/99/15/57/853991557.db2.gz RJESTXLTOSSEAZ-MYDTUXCISA-N 2 1 378.601 3.654 20 0 GHADMP C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000467418634 854023304 /nfs/dbraw/zinc/02/33/04/854023304.db2.gz OBWCXVUODGUOLP-AUUYWEPGSA-N 2 1 380.891 3.804 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)c1)C1CC1 ZINC000571818401 854167834 /nfs/dbraw/zinc/16/78/34/854167834.db2.gz GUSZFBVFCMRPKX-NRFANRHFSA-N 2 1 377.532 3.784 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1)C1CC1 ZINC000571818401 854167840 /nfs/dbraw/zinc/16/78/40/854167840.db2.gz GUSZFBVFCMRPKX-NRFANRHFSA-N 2 1 377.532 3.784 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1)C1CC1 ZINC000571818401 854167845 /nfs/dbraw/zinc/16/78/45/854167845.db2.gz GUSZFBVFCMRPKX-NRFANRHFSA-N 2 1 377.532 3.784 20 0 GHADMP Brc1cccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441419410 854280167 /nfs/dbraw/zinc/28/01/67/854280167.db2.gz XBVNOVWHXNZNEJ-BEFAXECRSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441419410 854280172 /nfs/dbraw/zinc/28/01/72/854280172.db2.gz XBVNOVWHXNZNEJ-BEFAXECRSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441419410 854280183 /nfs/dbraw/zinc/28/01/83/854280183.db2.gz XBVNOVWHXNZNEJ-BEFAXECRSA-N 2 1 379.342 3.777 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@@H]21 ZINC000572044267 854342722 /nfs/dbraw/zinc/34/27/22/854342722.db2.gz BLEISJJPXCJGRP-CWRNSKLLSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@@H]21 ZINC000572044267 854342723 /nfs/dbraw/zinc/34/27/23/854342723.db2.gz BLEISJJPXCJGRP-CWRNSKLLSA-N 2 1 376.298 3.663 20 0 GHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000623970849 862557233 /nfs/dbraw/zinc/55/72/33/862557233.db2.gz BTHWLQQNDQOAED-UONOGXRCSA-N 2 1 393.881 3.775 20 0 GHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000623970849 862557238 /nfs/dbraw/zinc/55/72/38/862557238.db2.gz BTHWLQQNDQOAED-UONOGXRCSA-N 2 1 393.881 3.775 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068887038 854633457 /nfs/dbraw/zinc/63/34/57/854633457.db2.gz XNASTQMBHSIYBG-LJQANCHMSA-N 2 1 378.605 3.595 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(Br)c2OC)CC1 ZINC000481981906 862591285 /nfs/dbraw/zinc/59/12/85/862591285.db2.gz DANDSRAHOWSQTP-UHFFFAOYSA-N 2 1 399.373 3.781 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)s2)cc1 ZINC000765791449 854820065 /nfs/dbraw/zinc/82/00/65/854820065.db2.gz JFBLTUKADLMXHR-FNHZYXHNSA-N 2 1 387.549 3.641 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)s2)cc1 ZINC000765791449 854820068 /nfs/dbraw/zinc/82/00/68/854820068.db2.gz JFBLTUKADLMXHR-FNHZYXHNSA-N 2 1 387.549 3.641 20 0 GHADMP O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441462506 855016866 /nfs/dbraw/zinc/01/68/66/855016866.db2.gz IQUWYBBBPAAISO-RTWAWAEBSA-N 2 1 391.559 3.963 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCC([NH3+])(c4ccccc4OC)CC3)CCO2)cc1 ZINC001168616722 855057024 /nfs/dbraw/zinc/05/70/24/855057024.db2.gz OCHBSLFCGLVUCL-XXBNENTESA-N 2 1 396.531 3.874 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000589658850 855095208 /nfs/dbraw/zinc/09/52/08/855095208.db2.gz AXTZBMKBZFGSRH-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000441479171 855234362 /nfs/dbraw/zinc/23/43/62/855234362.db2.gz PXWPAHHHIDQBER-FUPPJEDESA-N 2 1 383.580 3.682 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000441479171 855234368 /nfs/dbraw/zinc/23/43/68/855234368.db2.gz PXWPAHHHIDQBER-FUPPJEDESA-N 2 1 383.580 3.682 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000441479171 855234373 /nfs/dbraw/zinc/23/43/73/855234373.db2.gz PXWPAHHHIDQBER-FUPPJEDESA-N 2 1 383.580 3.682 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000674013364 862657667 /nfs/dbraw/zinc/65/76/67/862657667.db2.gz FRXXMSXIJBFJBF-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674013364 862657680 /nfs/dbraw/zinc/65/76/80/862657680.db2.gz FRXXMSXIJBFJBF-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674013364 862657686 /nfs/dbraw/zinc/65/76/86/862657686.db2.gz FRXXMSXIJBFJBF-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000056521797 855563245 /nfs/dbraw/zinc/56/32/45/855563245.db2.gz JBAYXLFZUZMGKX-UHFFFAOYSA-N 2 1 399.358 3.724 20 0 GHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000590778132 855579360 /nfs/dbraw/zinc/57/93/60/855579360.db2.gz GALUTXXWANSDEA-MTPWMDRRSA-N 2 1 382.573 3.957 20 0 GHADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530895 855584177 /nfs/dbraw/zinc/58/41/77/855584177.db2.gz GZFLLGGWNIWGFS-VXKWHMMOSA-N 2 1 378.564 3.985 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000590786894 855585425 /nfs/dbraw/zinc/58/54/25/855585425.db2.gz KIANCMWPQOLZCF-KRWDZBQOSA-N 2 1 389.367 3.785 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000590818921 855620347 /nfs/dbraw/zinc/62/03/47/855620347.db2.gz IMHSAGKTJBNCBT-UWJYYQICSA-N 2 1 382.976 3.831 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000573026791 855693249 /nfs/dbraw/zinc/69/32/49/855693249.db2.gz XKEIOKBUERBMSU-LJQANCHMSA-N 2 1 383.536 3.792 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000573026791 855693254 /nfs/dbraw/zinc/69/32/54/855693254.db2.gz XKEIOKBUERBMSU-LJQANCHMSA-N 2 1 383.536 3.792 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000573026791 855693259 /nfs/dbraw/zinc/69/32/59/855693259.db2.gz XKEIOKBUERBMSU-LJQANCHMSA-N 2 1 383.536 3.792 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000573026791 855693267 /nfs/dbraw/zinc/69/32/67/855693267.db2.gz XKEIOKBUERBMSU-LJQANCHMSA-N 2 1 383.536 3.792 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c2)C1 ZINC000765868952 855840116 /nfs/dbraw/zinc/84/01/16/855840116.db2.gz VHBZTFZLWXAZDF-WBADGQHESA-N 2 1 383.580 3.832 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CCCCC1 ZINC000669401831 855869608 /nfs/dbraw/zinc/86/96/08/855869608.db2.gz MSNMRONTLAZOHQ-WWNPGLIZSA-N 2 1 398.595 3.720 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000765889271 855909198 /nfs/dbraw/zinc/90/91/98/855909198.db2.gz YKYIEWBJWNYVBN-RQJJNDFQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474798917 855928859 /nfs/dbraw/zinc/92/88/59/855928859.db2.gz MFSMQCIXUMCFIP-CMTQZCSUSA-N 2 1 384.486 3.970 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474798917 855928866 /nfs/dbraw/zinc/92/88/66/855928866.db2.gz MFSMQCIXUMCFIP-CMTQZCSUSA-N 2 1 384.486 3.970 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828984 855989335 /nfs/dbraw/zinc/98/93/35/855989335.db2.gz ARSMYYRUYCYLHZ-XUVXKRRUSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828984 855989349 /nfs/dbraw/zinc/98/93/49/855989349.db2.gz ARSMYYRUYCYLHZ-XUVXKRRUSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828984 855989357 /nfs/dbraw/zinc/98/93/57/855989357.db2.gz ARSMYYRUYCYLHZ-XUVXKRRUSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)c2ccccc2)CC1 ZINC000573233086 856015598 /nfs/dbraw/zinc/01/55/98/856015598.db2.gz XFHNHGSQNMVYLI-QGZVFWFLSA-N 2 1 383.483 3.845 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CC([NH+]4CCCCC4)C3)cc2)C1 ZINC000474009056 856109512 /nfs/dbraw/zinc/10/95/12/856109512.db2.gz HMOBPDYWJMTWNN-YUVSOPLDSA-N 2 1 398.595 3.735 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000465826726 856153472 /nfs/dbraw/zinc/15/34/72/856153472.db2.gz QJGLMAWRHCGZNA-FGZHOGPDSA-N 2 1 386.584 3.648 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000031231019 856153637 /nfs/dbraw/zinc/15/36/37/856153637.db2.gz DHRAQBIIOSLTIX-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000031231019 856153639 /nfs/dbraw/zinc/15/36/39/856153639.db2.gz DHRAQBIIOSLTIX-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP CC(C)=C[C@@H]1[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000674308555 856156333 /nfs/dbraw/zinc/15/63/33/856156333.db2.gz BVTKLYQIZUFOMP-YADHBBJMSA-N 2 1 389.628 3.880 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008233 856263232 /nfs/dbraw/zinc/26/32/32/856263232.db2.gz DFOBAOIETHVDHJ-JHDGKUDLSA-N 2 1 379.548 3.676 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)Cc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008233 856263249 /nfs/dbraw/zinc/26/32/49/856263249.db2.gz DFOBAOIETHVDHJ-JHDGKUDLSA-N 2 1 379.548 3.676 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCOc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000060368405 856282279 /nfs/dbraw/zinc/28/22/79/856282279.db2.gz RXTKCNQZZBCPCH-HDICACEKSA-N 2 1 380.960 3.930 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000250071724 856309908 /nfs/dbraw/zinc/30/99/08/856309908.db2.gz RRENYKCYPXZIPJ-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000250071724 856309916 /nfs/dbraw/zinc/30/99/16/856309916.db2.gz RRENYKCYPXZIPJ-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000250071724 856309927 /nfs/dbraw/zinc/30/99/27/856309927.db2.gz RRENYKCYPXZIPJ-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008780 856351376 /nfs/dbraw/zinc/35/13/76/856351376.db2.gz FZEYMXYQPQDYOE-IHOVJFEMSA-N 2 1 399.579 3.883 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000658069232 856377710 /nfs/dbraw/zinc/37/77/10/856377710.db2.gz DLSHZUZYKZGWCM-UHFFFAOYSA-N 3 1 399.623 3.910 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000429232175 856396387 /nfs/dbraw/zinc/39/63/87/856396387.db2.gz AQFKVJUBWRNMFJ-MOPGFXCFSA-N 2 1 382.552 3.914 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000429232175 856396398 /nfs/dbraw/zinc/39/63/98/856396398.db2.gz AQFKVJUBWRNMFJ-MOPGFXCFSA-N 2 1 382.552 3.914 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387698 856426889 /nfs/dbraw/zinc/42/68/89/856426889.db2.gz OPZBFJVUPJYWIB-QZTJIDSGSA-N 2 1 382.976 3.785 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387698 856426897 /nfs/dbraw/zinc/42/68/97/856426897.db2.gz OPZBFJVUPJYWIB-QZTJIDSGSA-N 2 1 382.976 3.785 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387698 856426904 /nfs/dbraw/zinc/42/69/04/856426904.db2.gz OPZBFJVUPJYWIB-QZTJIDSGSA-N 2 1 382.976 3.785 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387698 856426913 /nfs/dbraw/zinc/42/69/13/856426913.db2.gz OPZBFJVUPJYWIB-QZTJIDSGSA-N 2 1 382.976 3.785 20 0 GHADMP C[NH+]1CCC(C)(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000507846909 856557619 /nfs/dbraw/zinc/55/76/19/856557619.db2.gz VSQXZOXXHMGFAD-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000181287229 862823382 /nfs/dbraw/zinc/82/33/82/862823382.db2.gz YWSXKXQAZLNEEW-OXQOHEQNSA-N 2 1 390.487 3.645 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000482258204 862848469 /nfs/dbraw/zinc/84/84/69/862848469.db2.gz PYTNENRMQVCDOR-NHCICSSKSA-N 2 1 379.548 3.774 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000482258204 862848474 /nfs/dbraw/zinc/84/84/74/862848474.db2.gz PYTNENRMQVCDOR-NHCICSSKSA-N 2 1 379.548 3.774 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000592492330 856898456 /nfs/dbraw/zinc/89/84/56/856898456.db2.gz YMTQNGZNWOMJSU-RTBURBONSA-N 2 1 399.560 3.808 20 0 GHADMP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665253051 857017200 /nfs/dbraw/zinc/01/72/00/857017200.db2.gz DUEMKCFADUHMJX-JJEOQYAHSA-N 2 1 385.527 3.562 20 0 GHADMP C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665257743 857170749 /nfs/dbraw/zinc/17/07/49/857170749.db2.gz SSURQQSDRCOFLV-KXHCOYLBSA-N 2 1 381.539 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000058061136 857256720 /nfs/dbraw/zinc/25/67/20/857256720.db2.gz ZEKGQPSDMGJLMR-CQSZACIVSA-N 2 1 385.346 3.676 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000058061136 857256726 /nfs/dbraw/zinc/25/67/26/857256726.db2.gz ZEKGQPSDMGJLMR-CQSZACIVSA-N 2 1 385.346 3.676 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000520852254 857297626 /nfs/dbraw/zinc/29/76/26/857297626.db2.gz GGUXBKAXCDTNOH-VCRBZLFYSA-N 2 1 394.559 3.934 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012218 857371548 /nfs/dbraw/zinc/37/15/48/857371548.db2.gz YCHOXMZGSXDHBU-WNXIRNOKSA-N 2 1 382.548 3.595 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000174921700 857408222 /nfs/dbraw/zinc/40/82/22/857408222.db2.gz PVNXUJJZJDYDPG-JTHBVZDNSA-N 2 1 379.548 3.660 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000174921700 857408225 /nfs/dbraw/zinc/40/82/25/857408225.db2.gz PVNXUJJZJDYDPG-JTHBVZDNSA-N 2 1 379.548 3.660 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000174921700 857408228 /nfs/dbraw/zinc/40/82/28/857408228.db2.gz PVNXUJJZJDYDPG-JTHBVZDNSA-N 2 1 379.548 3.660 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000521056400 857550722 /nfs/dbraw/zinc/55/07/22/857550722.db2.gz FEWULRKXWJRCMF-MOPGFXCFSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1CCc2ccccc2C1 ZINC000521056400 857550730 /nfs/dbraw/zinc/55/07/30/857550730.db2.gz FEWULRKXWJRCMF-MOPGFXCFSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCc2ccccc2C1 ZINC000521056400 857550736 /nfs/dbraw/zinc/55/07/36/857550736.db2.gz FEWULRKXWJRCMF-MOPGFXCFSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCc2ccccc2C1 ZINC000521056400 857550741 /nfs/dbraw/zinc/55/07/41/857550741.db2.gz FEWULRKXWJRCMF-MOPGFXCFSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486225186 857553089 /nfs/dbraw/zinc/55/30/89/857553089.db2.gz BQGOWEDTFORRML-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCO2)cc1 ZINC001168586684 857577368 /nfs/dbraw/zinc/57/73/68/857577368.db2.gz JXNLFUPIQXCQTO-VWNXMTODSA-N 2 1 396.531 3.537 20 0 GHADMP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c(F)c1 ZINC000155431780 857594606 /nfs/dbraw/zinc/59/46/06/857594606.db2.gz YKAFCEBXANHZOT-NRFANRHFSA-N 2 1 385.502 3.840 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3cc(Br)ccc32)C[C@H](C)O1 ZINC000675783388 857611384 /nfs/dbraw/zinc/61/13/84/857611384.db2.gz HEABVZZQZJJCMN-ZRGWGRIASA-N 2 1 381.358 3.915 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063732081 857650683 /nfs/dbraw/zinc/65/06/83/857650683.db2.gz GDQQDBDJCIDQGR-HSZRJFAPSA-N 2 1 377.532 3.563 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2cccs2)s1 ZINC000521318375 857867019 /nfs/dbraw/zinc/86/70/19/857867019.db2.gz XGXALENONUTGKL-INIZCTEOSA-N 2 1 378.611 3.720 20 0 GHADMP COC(=O)c1ccc(F)c(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000574452673 857891464 /nfs/dbraw/zinc/89/14/64/857891464.db2.gz JGOLZNNJJNDIJP-LJQANCHMSA-N 2 1 388.508 3.818 20 0 GHADMP COC(=O)c1ccc(F)c(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000574452673 857891470 /nfs/dbraw/zinc/89/14/70/857891470.db2.gz JGOLZNNJJNDIJP-LJQANCHMSA-N 2 1 388.508 3.818 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(SC)ccc3C)CC2)CC1 ZINC000574464015 857903112 /nfs/dbraw/zinc/90/31/12/857903112.db2.gz XWANFFLFCFLMFW-UHFFFAOYSA-N 2 1 375.582 3.852 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000676543391 857934071 /nfs/dbraw/zinc/93/40/71/857934071.db2.gz QJXRLIOKVXYKIS-JOCHJYFZSA-N 2 1 392.632 3.652 20 0 GHADMP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000066962015 857984233 /nfs/dbraw/zinc/98/42/33/857984233.db2.gz AYMQUYKEUUUQQX-UHFFFAOYSA-N 2 1 384.351 3.558 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000066962015 857984247 /nfs/dbraw/zinc/98/42/47/857984247.db2.gz AYMQUYKEUUUQQX-UHFFFAOYSA-N 2 1 384.351 3.558 20 0 GHADMP COCCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000442642201 858020432 /nfs/dbraw/zinc/02/04/32/858020432.db2.gz FFNAEWASXDIQLC-HSZRJFAPSA-N 2 1 386.511 3.915 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000166727437 858096394 /nfs/dbraw/zinc/09/63/94/858096394.db2.gz IQDPLYQXHOHNER-IBGZPJMESA-N 2 1 389.952 3.836 20 0 GHADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](CCCc2ccccc2)c2ccc(F)cc2)n1 ZINC000665292906 858110199 /nfs/dbraw/zinc/11/01/99/858110199.db2.gz LSUMQXACILVZIG-FQEVSTJZSA-N 2 1 380.467 3.634 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442797932 858140193 /nfs/dbraw/zinc/14/01/93/858140193.db2.gz XKICGECBAIBPDP-SCTDSRPQSA-N 2 1 397.485 3.519 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000521602263 858148121 /nfs/dbraw/zinc/14/81/21/858148121.db2.gz XEXSLBRAFBPVJT-SVFBPWRDSA-N 2 1 389.559 3.522 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000574727686 858152211 /nfs/dbraw/zinc/15/22/11/858152211.db2.gz GKSIADMBTCMVSB-IBGZPJMESA-N 2 1 382.504 3.816 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000574727686 858152214 /nfs/dbraw/zinc/15/22/14/858152214.db2.gz GKSIADMBTCMVSB-IBGZPJMESA-N 2 1 382.504 3.816 20 0 GHADMP COc1ccccc1-c1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000665299122 858181795 /nfs/dbraw/zinc/18/17/95/858181795.db2.gz GQFJELUNNNIVDY-REWPJTCUSA-N 2 1 391.471 3.696 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442864888 858183450 /nfs/dbraw/zinc/18/34/50/858183450.db2.gz AVEPXEFYLMGGFN-JTHBVZDNSA-N 2 1 384.612 3.928 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442864888 858183455 /nfs/dbraw/zinc/18/34/55/858183455.db2.gz AVEPXEFYLMGGFN-JTHBVZDNSA-N 2 1 384.612 3.928 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2cccc(Br)c21 ZINC000442879442 858201584 /nfs/dbraw/zinc/20/15/84/858201584.db2.gz VZEPYVLGGQIYRD-YOEHRIQHSA-N 2 1 380.374 3.613 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594518194 858206836 /nfs/dbraw/zinc/20/68/36/858206836.db2.gz CKDKYJUOOZSVQL-FRYIKTPZSA-N 2 1 394.600 3.612 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442920073 858244092 /nfs/dbraw/zinc/24/40/92/858244092.db2.gz KVQJKMAIGYTUMK-INIZCTEOSA-N 2 1 391.357 3.812 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142758 858298091 /nfs/dbraw/zinc/29/80/91/858298091.db2.gz YURRUGAUTHUQQF-SESVDKBCSA-N 2 1 398.551 3.625 20 0 GHADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000595003937 858363666 /nfs/dbraw/zinc/36/36/66/858363666.db2.gz NWHYWFRNTBCXJJ-GBESFXJTSA-N 2 1 390.568 3.753 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000574917376 858393320 /nfs/dbraw/zinc/39/33/20/858393320.db2.gz UOEFJILRBHMOEY-PTRHGPIFSA-N 2 1 379.548 3.727 20 0 GHADMP COC(=O)C[C@](C)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccncc1 ZINC000595486606 858534003 /nfs/dbraw/zinc/53/40/03/858534003.db2.gz OLDIKZAYVKMEMV-QHCPKHFHSA-N 2 1 381.520 3.636 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC000522080063 858602299 /nfs/dbraw/zinc/60/22/99/858602299.db2.gz ZRBVYWCJMKFSFL-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC000522080063 858602305 /nfs/dbraw/zinc/60/23/05/858602305.db2.gz ZRBVYWCJMKFSFL-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000522080063 858602310 /nfs/dbraw/zinc/60/23/10/858602310.db2.gz ZRBVYWCJMKFSFL-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1C1CCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522084049 858607463 /nfs/dbraw/zinc/60/74/63/858607463.db2.gz NJISNLCXAZQHOV-HSZRJFAPSA-N 2 1 383.580 3.943 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)c1 ZINC000595907715 858715178 /nfs/dbraw/zinc/71/51/78/858715178.db2.gz DXLJBYZMUBPMMX-DNVCBOLYSA-N 2 1 387.549 3.936 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168018574 858744677 /nfs/dbraw/zinc/74/46/77/858744677.db2.gz ZWMVQZWYXNWBFR-BBIADKPPSA-N 2 1 380.532 3.933 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000179394867 858794278 /nfs/dbraw/zinc/79/42/78/858794278.db2.gz RICSCSXEERKYNN-QFIPXVFZSA-N 2 1 394.519 3.645 20 0 GHADMP COC(=O)C1(C)CCC([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001168761615 858808406 /nfs/dbraw/zinc/80/84/06/858808406.db2.gz DRBHUKCKORWJRD-JEXBNQBQSA-N 2 1 390.527 3.685 20 0 GHADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1 ZINC000482889379 858944600 /nfs/dbraw/zinc/94/46/00/858944600.db2.gz MEENEDVEOUTJEV-HXUWFJFHSA-N 2 1 379.976 3.960 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466292453 859008473 /nfs/dbraw/zinc/00/84/73/859008473.db2.gz ANXQKTVIPPYQIO-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292453 859008483 /nfs/dbraw/zinc/00/84/83/859008483.db2.gz ANXQKTVIPPYQIO-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292453 859008490 /nfs/dbraw/zinc/00/84/90/859008490.db2.gz ANXQKTVIPPYQIO-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000922215665 859013977 /nfs/dbraw/zinc/01/39/77/859013977.db2.gz DMUKJJZRKKLXGP-IBGZPJMESA-N 2 1 397.604 3.503 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185747400 859124359 /nfs/dbraw/zinc/12/43/59/859124359.db2.gz UJEPUHBBCSXACN-PJXYCGMHSA-N 2 1 386.580 3.684 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000443644136 859152990 /nfs/dbraw/zinc/15/29/90/859152990.db2.gz DDFQVZICFWCCIA-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000443644136 859152995 /nfs/dbraw/zinc/15/29/95/859152995.db2.gz DDFQVZICFWCCIA-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000443644136 859153005 /nfs/dbraw/zinc/15/30/05/859153005.db2.gz DDFQVZICFWCCIA-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)C(F)(F)F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024415 859169238 /nfs/dbraw/zinc/16/92/38/859169238.db2.gz GGMZHUTWKFZEEQ-UKBAYJJMSA-N 2 1 397.485 3.571 20 0 GHADMP COc1ccc([C@@H](C)[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000193560476 859172825 /nfs/dbraw/zinc/17/28/25/859172825.db2.gz YCPDRFVCKORSBJ-LJQANCHMSA-N 2 1 395.547 3.600 20 0 GHADMP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000193560476 859172833 /nfs/dbraw/zinc/17/28/33/859172833.db2.gz YCPDRFVCKORSBJ-LJQANCHMSA-N 2 1 395.547 3.600 20 0 GHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc21 ZINC000483174464 859189324 /nfs/dbraw/zinc/18/93/24/859189324.db2.gz KHSCFUYIWIAXKL-LJQANCHMSA-N 2 1 382.552 3.796 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000193737834 859192160 /nfs/dbraw/zinc/19/21/60/859192160.db2.gz XXUBGJFABVLYNX-KRWDZBQOSA-N 2 1 385.939 3.903 20 0 GHADMP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000483235933 859232582 /nfs/dbraw/zinc/23/25/82/859232582.db2.gz UACRXUFUIHUESH-VQTJNVASSA-N 2 1 392.632 3.983 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)ccc1OC ZINC000856555470 881398538 /nfs/dbraw/zinc/39/85/38/881398538.db2.gz PMHFUQQVYKXZMF-OAQYLSRUSA-N 2 1 399.535 3.594 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)ccc1OC ZINC000856555470 881398619 /nfs/dbraw/zinc/39/86/19/881398619.db2.gz PMHFUQQVYKXZMF-OAQYLSRUSA-N 2 1 399.535 3.594 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)ccc1OC ZINC000856555470 881398682 /nfs/dbraw/zinc/39/86/82/881398682.db2.gz PMHFUQQVYKXZMF-OAQYLSRUSA-N 2 1 399.535 3.594 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000532200993 881399339 /nfs/dbraw/zinc/39/93/39/881399339.db2.gz TWUSQGCTOSGLGX-AWEZNQCLSA-N 2 1 382.346 3.630 20 0 GHADMP CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601478221 859288971 /nfs/dbraw/zinc/28/89/71/859288971.db2.gz XUFLVLMQMKGOGI-OYDLWJJNSA-N 2 1 391.559 3.570 20 0 GHADMP CN(C(=O)[C@H]1C[C@H]1c1cccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601478221 859288995 /nfs/dbraw/zinc/28/89/95/859288995.db2.gz XUFLVLMQMKGOGI-OYDLWJJNSA-N 2 1 391.559 3.570 20 0 GHADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC001127741171 859322523 /nfs/dbraw/zinc/32/25/23/859322523.db2.gz XHLALPBSAFTABA-AGILITTLSA-N 2 1 391.559 3.838 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC001127741171 859322530 /nfs/dbraw/zinc/32/25/30/859322530.db2.gz XHLALPBSAFTABA-AGILITTLSA-N 2 1 391.559 3.838 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC001127741171 859322534 /nfs/dbraw/zinc/32/25/34/859322534.db2.gz XHLALPBSAFTABA-AGILITTLSA-N 2 1 391.559 3.838 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC001127741171 859322540 /nfs/dbraw/zinc/32/25/40/859322540.db2.gz XHLALPBSAFTABA-AGILITTLSA-N 2 1 391.559 3.838 20 0 GHADMP COc1cc(F)cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856558456 881419659 /nfs/dbraw/zinc/41/96/59/881419659.db2.gz IMPKSKAMZFSVFR-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(F)cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856558456 881419762 /nfs/dbraw/zinc/41/97/62/881419762.db2.gz IMPKSKAMZFSVFR-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(F)cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856558456 881419781 /nfs/dbraw/zinc/41/97/81/881419781.db2.gz IMPKSKAMZFSVFR-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP C[N@H+](CC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608487 859484190 /nfs/dbraw/zinc/48/41/90/859484190.db2.gz RGHHAEATTKFINE-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@@H+](CC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608487 859484199 /nfs/dbraw/zinc/48/41/99/859484199.db2.gz RGHHAEATTKFINE-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608487 859484206 /nfs/dbraw/zinc/48/42/06/859484206.db2.gz RGHHAEATTKFINE-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608487 859484211 /nfs/dbraw/zinc/48/42/11/859484211.db2.gz RGHHAEATTKFINE-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000764716189 859579824 /nfs/dbraw/zinc/57/98/24/859579824.db2.gz UZTRHRDNTQFWHM-CVDCTZTESA-N 2 1 377.532 3.814 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@H]1C ZINC000483761007 859595454 /nfs/dbraw/zinc/59/54/54/859595454.db2.gz PZWCNGXZQUHNNT-BAGYTPMASA-N 2 1 386.584 3.646 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCCC2=O)cc1 ZINC000764764852 859600818 /nfs/dbraw/zinc/60/08/18/859600818.db2.gz WVPDQEGDMFQNRN-IBGZPJMESA-N 2 1 377.532 3.912 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCCC2=O)cc1 ZINC000764764852 859600823 /nfs/dbraw/zinc/60/08/23/859600823.db2.gz WVPDQEGDMFQNRN-IBGZPJMESA-N 2 1 377.532 3.912 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1C ZINC000483807430 859624228 /nfs/dbraw/zinc/62/42/28/859624228.db2.gz MHPZZSZCWGERPJ-TWNQGAOESA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1C ZINC000483807430 859624231 /nfs/dbraw/zinc/62/42/31/859624231.db2.gz MHPZZSZCWGERPJ-TWNQGAOESA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1C ZINC000483807430 859624234 /nfs/dbraw/zinc/62/42/34/859624234.db2.gz MHPZZSZCWGERPJ-TWNQGAOESA-N 2 1 398.595 3.696 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1C ZINC000483807431 859624539 /nfs/dbraw/zinc/62/45/39/859624539.db2.gz MHPZZSZCWGERPJ-UOFCYQDVSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1C ZINC000483807431 859624543 /nfs/dbraw/zinc/62/45/43/859624543.db2.gz MHPZZSZCWGERPJ-UOFCYQDVSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1C ZINC000483807431 859624545 /nfs/dbraw/zinc/62/45/45/859624545.db2.gz MHPZZSZCWGERPJ-UOFCYQDVSA-N 2 1 398.595 3.696 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856561008 881448287 /nfs/dbraw/zinc/44/82/87/881448287.db2.gz LHEPVLGQDSBSCB-QHCPKHFHSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561008 881448356 /nfs/dbraw/zinc/44/83/56/881448356.db2.gz LHEPVLGQDSBSCB-QHCPKHFHSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561008 881448456 /nfs/dbraw/zinc/44/84/56/881448456.db2.gz LHEPVLGQDSBSCB-QHCPKHFHSA-N 2 1 396.535 3.534 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543429998 859689849 /nfs/dbraw/zinc/68/98/49/859689849.db2.gz WRRVOAJARZIXAX-SVFBPWRDSA-N 2 1 396.531 3.800 20 0 GHADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611532227 859798032 /nfs/dbraw/zinc/79/80/32/859798032.db2.gz RMSUYWREQGUNIU-HXUWFJFHSA-N 2 1 388.552 3.572 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000484143869 859830975 /nfs/dbraw/zinc/83/09/75/859830975.db2.gz NFSBWVWHKBORSX-WMZHIEFXSA-N 2 1 397.538 3.663 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000484143869 859830987 /nfs/dbraw/zinc/83/09/87/859830987.db2.gz NFSBWVWHKBORSX-WMZHIEFXSA-N 2 1 397.538 3.663 20 0 GHADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc2c(c1)OCCO2 ZINC000162253301 859831456 /nfs/dbraw/zinc/83/14/56/859831456.db2.gz NCJPQMKHWGNVMW-LJQANCHMSA-N 2 1 382.508 3.574 20 0 GHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@]1(O)CCN(Cc3ccccc3)C1)CCCO2 ZINC000484174835 859847851 /nfs/dbraw/zinc/84/78/51/859847851.db2.gz SLQLSPPIZGCDLG-LADGPHEKSA-N 2 1 380.532 3.744 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168032920 859848483 /nfs/dbraw/zinc/84/84/83/859848483.db2.gz JHHZAIDONDAVMW-PLWWPAAYSA-N 2 1 382.548 3.898 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168032920 859848489 /nfs/dbraw/zinc/84/84/89/859848489.db2.gz JHHZAIDONDAVMW-PLWWPAAYSA-N 2 1 382.548 3.898 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000922387760 859866930 /nfs/dbraw/zinc/86/69/30/859866930.db2.gz MUKXJQOSDMMCDW-XCJLJZCSSA-N 2 1 389.540 3.519 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C2CCOCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033043 859872456 /nfs/dbraw/zinc/87/24/56/859872456.db2.gz JPCXNFVBUYIWFT-CEQLMSFQSA-N 2 1 382.552 3.766 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cncn2C2CCOCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033043 859872461 /nfs/dbraw/zinc/87/24/61/859872461.db2.gz JPCXNFVBUYIWFT-CEQLMSFQSA-N 2 1 382.552 3.766 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000765266608 859883771 /nfs/dbraw/zinc/88/37/71/859883771.db2.gz PIPJKGCTSNKOIJ-GHTZIAJQSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000765266608 859883775 /nfs/dbraw/zinc/88/37/75/859883775.db2.gz PIPJKGCTSNKOIJ-GHTZIAJQSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000484499175 860048060 /nfs/dbraw/zinc/04/80/60/860048060.db2.gz LHDRSLBREBZCJX-SLYNCCJLSA-N 2 1 384.955 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000484499175 860048068 /nfs/dbraw/zinc/04/80/68/860048068.db2.gz LHDRSLBREBZCJX-SLYNCCJLSA-N 2 1 384.955 3.814 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000921537696 860231198 /nfs/dbraw/zinc/23/11/98/860231198.db2.gz YPZGWEOWYSXNED-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@@H]1c1cccs1 ZINC000536049438 860269699 /nfs/dbraw/zinc/26/96/99/860269699.db2.gz GZFNGLMFQVTTOR-OZOXKJRCSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@@H]1c1cccs1 ZINC000536049438 860269708 /nfs/dbraw/zinc/26/97/08/860269708.db2.gz GZFNGLMFQVTTOR-OZOXKJRCSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000536049438 860269722 /nfs/dbraw/zinc/26/97/22/860269722.db2.gz GZFNGLMFQVTTOR-OZOXKJRCSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000536049438 860269735 /nfs/dbraw/zinc/26/97/35/860269735.db2.gz GZFNGLMFQVTTOR-OZOXKJRCSA-N 2 1 398.576 3.617 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718662 860286728 /nfs/dbraw/zinc/28/67/28/860286728.db2.gz IIFJFJFKWSBWRV-IZZBFERCSA-N 2 1 398.551 3.844 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698911 860418830 /nfs/dbraw/zinc/41/88/30/860418830.db2.gz VEQJFFJWYWQIMV-SPEDKVCISA-N 2 1 377.532 3.909 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698911 860418838 /nfs/dbraw/zinc/41/88/38/860418838.db2.gz VEQJFFJWYWQIMV-SPEDKVCISA-N 2 1 377.532 3.909 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000054511550 860599916 /nfs/dbraw/zinc/59/99/16/860599916.db2.gz SALISSXKCSIMAP-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000054511550 860599923 /nfs/dbraw/zinc/59/99/23/860599923.db2.gz SALISSXKCSIMAP-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000054511550 860599930 /nfs/dbraw/zinc/59/99/30/860599930.db2.gz SALISSXKCSIMAP-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168040670 860633223 /nfs/dbraw/zinc/63/32/23/860633223.db2.gz OAAZFYKOQMLSEQ-JHDGKUDLSA-N 2 1 379.548 3.956 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040670 860633224 /nfs/dbraw/zinc/63/32/24/860633224.db2.gz OAAZFYKOQMLSEQ-JHDGKUDLSA-N 2 1 379.548 3.956 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3cccc(Cl)c3)C2)ccn1 ZINC000856595885 881569935 /nfs/dbraw/zinc/56/99/35/881569935.db2.gz MFEIUMVESSFPBL-NRFANRHFSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3cccc(Cl)c3)C2)ccn1 ZINC000856595885 881569951 /nfs/dbraw/zinc/56/99/51/881569951.db2.gz MFEIUMVESSFPBL-NRFANRHFSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3cccc(Cl)c3)C2)ccn1 ZINC000856595885 881569966 /nfs/dbraw/zinc/56/99/66/881569966.db2.gz MFEIUMVESSFPBL-NRFANRHFSA-N 2 1 389.927 3.719 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000429019760 860713047 /nfs/dbraw/zinc/71/30/47/860713047.db2.gz LOEMRXDRPRYQQK-XMMPIXPASA-N 2 1 393.531 3.622 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000429019760 860713051 /nfs/dbraw/zinc/71/30/51/860713051.db2.gz LOEMRXDRPRYQQK-XMMPIXPASA-N 2 1 393.531 3.622 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000429019760 860713057 /nfs/dbraw/zinc/71/30/57/860713057.db2.gz LOEMRXDRPRYQQK-XMMPIXPASA-N 2 1 393.531 3.622 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCCC[NH+]3C(C)C)C2)ccn1 ZINC000856604868 881582275 /nfs/dbraw/zinc/58/22/75/881582275.db2.gz SRRRTHWXTYDXCP-JTHBVZDNSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)C2)ccn1 ZINC000856604868 881582284 /nfs/dbraw/zinc/58/22/84/881582284.db2.gz SRRRTHWXTYDXCP-JTHBVZDNSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)C2)ccn1 ZINC000856604868 881582293 /nfs/dbraw/zinc/58/22/93/881582293.db2.gz SRRRTHWXTYDXCP-JTHBVZDNSA-N 2 1 388.600 3.638 20 0 GHADMP CCC(CC)(CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000603611701 860905831 /nfs/dbraw/zinc/90/58/31/860905831.db2.gz JQHXJLKADYSIER-RXVVDRJESA-N 2 1 386.584 3.680 20 0 GHADMP Fc1ccc(Oc2nc3ccccn3c2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000623356444 860914614 /nfs/dbraw/zinc/91/46/14/860914614.db2.gz PWLWVLOZYNMELA-INIZCTEOSA-N 2 1 380.467 3.840 20 0 GHADMP Fc1ccc(Oc2nc3ccccn3c2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000623356444 860914620 /nfs/dbraw/zinc/91/46/20/860914620.db2.gz PWLWVLOZYNMELA-INIZCTEOSA-N 2 1 380.467 3.840 20 0 GHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000623394096 860991974 /nfs/dbraw/zinc/99/19/74/860991974.db2.gz ZIFAUCYOVACPOJ-CTNGQTDRSA-N 2 1 386.584 3.856 20 0 GHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000623394096 860991992 /nfs/dbraw/zinc/99/19/92/860991992.db2.gz ZIFAUCYOVACPOJ-CTNGQTDRSA-N 2 1 386.584 3.856 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000623426190 861050419 /nfs/dbraw/zinc/05/04/19/861050419.db2.gz DEVALNIJOHWLLH-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623426190 861050424 /nfs/dbraw/zinc/05/04/24/861050424.db2.gz DEVALNIJOHWLLH-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623426190 861050431 /nfs/dbraw/zinc/05/04/31/861050431.db2.gz DEVALNIJOHWLLH-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP c1[nH]nc2cccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c12 ZINC000623532961 861145156 /nfs/dbraw/zinc/14/51/56/861145156.db2.gz NRQUZAGKZNCEMA-NRFANRHFSA-N 2 1 390.531 3.581 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000182230845 863157478 /nfs/dbraw/zinc/15/74/78/863157478.db2.gz YWHNPGCDXSZKKU-GGAORHGYSA-N 2 1 382.573 3.764 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000182244726 863161495 /nfs/dbraw/zinc/16/14/95/863161495.db2.gz LZANDPARMFEALG-IRLDBZIGSA-N 2 1 384.495 3.786 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2F)cc1 ZINC000183151396 863488998 /nfs/dbraw/zinc/48/89/98/863488998.db2.gz SRQPAUKPQPVJGL-HZPDHXFCSA-N 2 1 380.467 3.675 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522830918 863510381 /nfs/dbraw/zinc/51/03/81/863510381.db2.gz NLQCLSARTRNUFG-QFIPXVFZSA-N 2 1 392.547 3.918 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000522847382 863557236 /nfs/dbraw/zinc/55/72/36/863557236.db2.gz REGJZARHOOKCEI-KDURUIRLSA-N 2 1 380.536 3.735 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc21 ZINC000455932611 863792818 /nfs/dbraw/zinc/79/28/18/863792818.db2.gz QBZRFXCKLUCYEW-ZPMCFJSWSA-N 2 1 382.552 3.716 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)CC1 ZINC000158702262 863922115 /nfs/dbraw/zinc/92/21/15/863922115.db2.gz KEDZLLAGLWWODH-UHFFFAOYSA-N 2 1 379.548 3.889 20 0 GHADMP Cc1cc(N2CCN([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001168054517 863945991 /nfs/dbraw/zinc/94/59/91/863945991.db2.gz STJDRZYRYJUNKV-JHDGKUDLSA-N 2 1 393.579 3.657 20 0 GHADMP Cc1cc(N2CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001168054517 863946015 /nfs/dbraw/zinc/94/60/15/863946015.db2.gz STJDRZYRYJUNKV-JHDGKUDLSA-N 2 1 393.579 3.657 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](Oc3ncccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054679 863980780 /nfs/dbraw/zinc/98/07/80/863980780.db2.gz AHTCQOXABSAGPC-MXNKGDRCSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](Oc3ncccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054679 863980788 /nfs/dbraw/zinc/98/07/88/863980788.db2.gz AHTCQOXABSAGPC-MXNKGDRCSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3ncccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054679 863980802 /nfs/dbraw/zinc/98/08/02/863980802.db2.gz AHTCQOXABSAGPC-MXNKGDRCSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3ncccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054679 863980815 /nfs/dbraw/zinc/98/08/15/863980815.db2.gz AHTCQOXABSAGPC-MXNKGDRCSA-N 2 1 380.536 3.761 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480082638 864030445 /nfs/dbraw/zinc/03/04/45/864030445.db2.gz OKEQFUQJPNBUKU-TZIWHRDSSA-N 2 1 379.504 3.749 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480082638 864030463 /nfs/dbraw/zinc/03/04/63/864030463.db2.gz OKEQFUQJPNBUKU-TZIWHRDSSA-N 2 1 379.504 3.749 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN(Cc2ccco2)C(C)C)CC1 ZINC000621272697 864039757 /nfs/dbraw/zinc/03/97/57/864039757.db2.gz PCNQTZJWIZKPMD-UHFFFAOYSA-N 2 1 383.536 3.533 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]C4CCN(C[C@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518660 864077484 /nfs/dbraw/zinc/07/74/84/864077484.db2.gz IZBGIJGUGNNAPK-BPJRBCGYSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518660 864077501 /nfs/dbraw/zinc/07/75/01/864077501.db2.gz IZBGIJGUGNNAPK-BPJRBCGYSA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518660 864077518 /nfs/dbraw/zinc/07/75/18/864077518.db2.gz IZBGIJGUGNNAPK-BPJRBCGYSA-N 3 1 397.607 3.520 20 0 GHADMP COc1cc(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000621389593 864118362 /nfs/dbraw/zinc/11/83/62/864118362.db2.gz DUPGCPONYDMGTG-UHFFFAOYSA-N 2 1 384.520 3.596 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621659157 864336887 /nfs/dbraw/zinc/33/68/87/864336887.db2.gz ASYXMBJUWFRREQ-WNYOCNMUSA-N 2 1 381.923 3.510 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621659157 864336901 /nfs/dbraw/zinc/33/69/01/864336901.db2.gz ASYXMBJUWFRREQ-WNYOCNMUSA-N 2 1 381.923 3.510 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000607391113 864337447 /nfs/dbraw/zinc/33/74/47/864337447.db2.gz CYLPGVBJAJFPAB-NMVJMZGASA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000607391113 864337460 /nfs/dbraw/zinc/33/74/60/864337460.db2.gz CYLPGVBJAJFPAB-NMVJMZGASA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000607391113 864337475 /nfs/dbraw/zinc/33/74/75/864337475.db2.gz CYLPGVBJAJFPAB-NMVJMZGASA-N 2 1 396.575 3.736 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000621751516 864398562 /nfs/dbraw/zinc/39/85/62/864398562.db2.gz IGJFNTRQOGWJJO-FYYLOGMGSA-N 2 1 377.532 3.639 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168058745 864475964 /nfs/dbraw/zinc/47/59/64/864475964.db2.gz QZJRKHSSAVCDMC-SFYKDHMMSA-N 2 1 395.547 3.985 20 0 GHADMP CCCOc1ccc(Br)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000537631685 881773712 /nfs/dbraw/zinc/77/37/12/881773712.db2.gz SVRYLEOKMVMSHJ-UHFFFAOYSA-N 2 1 399.373 3.781 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cnn(Cc4ccccc4)c3)CC2)[nH+]c1 ZINC000163519725 864529518 /nfs/dbraw/zinc/52/95/18/864529518.db2.gz FNKVCYIMZVGKKN-IBGZPJMESA-N 2 1 375.520 3.954 20 0 GHADMP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+]1CCCC1 ZINC000165337393 864663360 /nfs/dbraw/zinc/66/33/60/864663360.db2.gz HERFMGDIUYNKBO-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000165337263 864663416 /nfs/dbraw/zinc/66/34/16/864663416.db2.gz HERFMGDIUYNKBO-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000444345761 864981351 /nfs/dbraw/zinc/98/13/51/864981351.db2.gz QUPHDQQOIIKGHM-QRVBRYPASA-N 2 1 397.567 3.909 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC(C)(C)c4ccccc43)cc2)CC1 ZINC000480643690 865003487 /nfs/dbraw/zinc/00/34/87/865003487.db2.gz OMTZBSUPXHHDTB-QFIPXVFZSA-N 2 1 377.532 3.586 20 0 GHADMP CC(C)[C@H](C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1)N1CC[NH+](C)CC1 ZINC000480673396 865069527 /nfs/dbraw/zinc/06/95/27/865069527.db2.gz QONNIFULGGXKNV-IBGZPJMESA-N 2 1 377.479 3.586 20 0 GHADMP CC[C@H]1C[C@H](C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)CCO1 ZINC000554887091 865090199 /nfs/dbraw/zinc/09/01/99/865090199.db2.gz NLWOOXPKJLUCCP-CTNGQTDRSA-N 2 1 389.584 3.808 20 0 GHADMP CC[C@H]1C[C@H](C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)CCO1 ZINC000554887091 865090207 /nfs/dbraw/zinc/09/02/07/865090207.db2.gz NLWOOXPKJLUCCP-CTNGQTDRSA-N 2 1 389.584 3.808 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1C ZINC000301112972 865164627 /nfs/dbraw/zinc/16/46/27/865164627.db2.gz SMFWQZFPAUKSOH-GOSISDBHSA-N 2 1 399.608 3.969 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000480779499 865253804 /nfs/dbraw/zinc/25/38/04/865253804.db2.gz LKULCJNFOMJLRR-IRLDBZIGSA-N 2 1 391.575 3.868 20 0 GHADMP Brc1ccc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000301275656 865259834 /nfs/dbraw/zinc/25/98/34/865259834.db2.gz LWUAQYNBPWKCKE-CQSZACIVSA-N 2 1 390.325 3.910 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000480773374 865271861 /nfs/dbraw/zinc/27/18/61/865271861.db2.gz XAKZGUXPUUIPIX-RBBKRZOGSA-N 2 1 387.637 3.848 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000608428970 865326369 /nfs/dbraw/zinc/32/63/69/865326369.db2.gz GQRKYABLUBSKCJ-LEWJYISDSA-N 2 1 397.567 3.658 20 0 GHADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000301531542 865406849 /nfs/dbraw/zinc/40/68/49/865406849.db2.gz KEFBDQZSHRLPCN-UHFFFAOYSA-N 2 1 388.943 3.927 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2c1C ZINC000301590771 865442884 /nfs/dbraw/zinc/44/28/84/865442884.db2.gz XSFFXTYVXKFTGF-XJKSGUPXSA-N 2 1 385.581 3.941 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c2c1C ZINC000301590771 865442897 /nfs/dbraw/zinc/44/28/97/865442897.db2.gz XSFFXTYVXKFTGF-XJKSGUPXSA-N 2 1 385.581 3.941 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000555094907 865471865 /nfs/dbraw/zinc/47/18/65/865471865.db2.gz RBVPGJOHOMYWTF-PKTZIBPZSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000555094907 865471871 /nfs/dbraw/zinc/47/18/71/865471871.db2.gz RBVPGJOHOMYWTF-PKTZIBPZSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000555094907 865471877 /nfs/dbraw/zinc/47/18/77/865471877.db2.gz RBVPGJOHOMYWTF-PKTZIBPZSA-N 2 1 379.548 3.535 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)c1 ZINC000608659161 865566040 /nfs/dbraw/zinc/56/60/40/865566040.db2.gz GKQLJOYDOVAKLP-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000608659161 865566046 /nfs/dbraw/zinc/56/60/46/865566046.db2.gz GKQLJOYDOVAKLP-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000608659161 865566054 /nfs/dbraw/zinc/56/60/54/865566054.db2.gz GKQLJOYDOVAKLP-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H](C)C1 ZINC000481166787 865909615 /nfs/dbraw/zinc/90/96/15/865909615.db2.gz KIYYZUYOEXODIK-UGKGYDQZSA-N 2 1 392.559 3.601 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000481182865 865947269 /nfs/dbraw/zinc/94/72/69/865947269.db2.gz AUDOOFRKGYHESG-DPLHUUCSSA-N 2 1 393.575 3.981 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000481182865 865947276 /nfs/dbraw/zinc/94/72/76/865947276.db2.gz AUDOOFRKGYHESG-DPLHUUCSSA-N 2 1 393.575 3.981 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C(F)F)C3CCCCC3)CC2)CC1 ZINC000623045993 865967549 /nfs/dbraw/zinc/96/75/49/865967549.db2.gz GGHXMZYGSNQMLE-IBGZPJMESA-N 2 1 385.543 3.513 20 0 GHADMP c1c(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000072786097 866034711 /nfs/dbraw/zinc/03/47/11/866034711.db2.gz PZEAAVRUKCYLCW-UHFFFAOYSA-N 2 1 375.520 3.900 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000741081749 866226140 /nfs/dbraw/zinc/22/61/40/866226140.db2.gz ZEMACKVEGLBVNX-NRFANRHFSA-N 2 1 388.600 3.805 20 0 GHADMP CCC(C)(C)[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000665787654 866301341 /nfs/dbraw/zinc/30/13/41/866301341.db2.gz PQMLQKMBPIKESY-GOSISDBHSA-N 2 1 380.621 3.649 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cs2)cc1OC ZINC000639758244 866426424 /nfs/dbraw/zinc/42/64/24/866426424.db2.gz RRDBQXSTZNKXDS-UHFFFAOYSA-N 2 1 387.549 3.745 20 0 GHADMP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000523115888 866531819 /nfs/dbraw/zinc/53/18/19/866531819.db2.gz AVMRVQZAIBIQIE-PFRQMTDMSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000523115888 866531823 /nfs/dbraw/zinc/53/18/23/866531823.db2.gz AVMRVQZAIBIQIE-PFRQMTDMSA-N 2 1 377.960 3.854 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cc(C)sc3C)CC2)CC1 ZINC000552967483 866539271 /nfs/dbraw/zinc/53/92/71/866539271.db2.gz TYXCDDQERWIRFS-INIZCTEOSA-N 2 1 377.598 3.738 20 0 GHADMP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000444610016 866945686 /nfs/dbraw/zinc/94/56/86/866945686.db2.gz NVRRBWTXNWXYMC-NRFANRHFSA-N 2 1 387.568 3.605 20 0 GHADMP c1csc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)c1 ZINC000153627516 866992216 /nfs/dbraw/zinc/99/22/16/866992216.db2.gz NIBVMCZAMAKUNM-HXUWFJFHSA-N 2 1 377.598 3.508 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000153694654 867029744 /nfs/dbraw/zinc/02/97/44/867029744.db2.gz QNGQFYVMOLQAEW-LAUBAEHRSA-N 2 1 396.560 3.966 20 0 GHADMP FC(F)(F)C[C@H]1CC[N@@H+](CCOCC[NH+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699396 867083894 /nfs/dbraw/zinc/08/38/94/867083894.db2.gz UBXQTDKYDVVRQX-OKILXGFUSA-N 2 1 376.385 3.552 20 0 GHADMP FC(F)(F)C[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699396 867083910 /nfs/dbraw/zinc/08/39/10/867083910.db2.gz UBXQTDKYDVVRQX-OKILXGFUSA-N 2 1 376.385 3.552 20 0 GHADMP FC(F)(F)C[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699396 867083927 /nfs/dbraw/zinc/08/39/27/867083927.db2.gz UBXQTDKYDVVRQX-OKILXGFUSA-N 2 1 376.385 3.552 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000456795751 867122601 /nfs/dbraw/zinc/12/26/01/867122601.db2.gz UQYFDXUNCIACND-QGZVFWFLSA-N 2 1 388.899 3.526 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000523390302 867219364 /nfs/dbraw/zinc/21/93/64/867219364.db2.gz YQWWWROEDJCARO-ZDUSSCGKSA-N 2 1 390.330 3.621 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000479182309 867296590 /nfs/dbraw/zinc/29/65/90/867296590.db2.gz CMWAHESZKUBOTJ-HTAPYJJXSA-N 2 1 383.511 3.559 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(SC)ccc1Cl ZINC000667469282 867550716 /nfs/dbraw/zinc/55/07/16/867550716.db2.gz RRJRNUGJPFLARG-OAHLLOKOSA-N 2 1 399.004 3.942 20 0 GHADMP CCCn1ccnc1CCCN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857193171 882103623 /nfs/dbraw/zinc/10/36/23/882103623.db2.gz RTRAIXABWZPGHJ-OAQYLSRUSA-N 2 1 382.552 3.807 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000190188722 882115535 /nfs/dbraw/zinc/11/55/35/882115535.db2.gz GWOAQKUKXPIVCR-ICSRJNTNSA-N 2 1 392.613 3.648 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479451730 867781879 /nfs/dbraw/zinc/78/18/79/867781879.db2.gz XUZBOFGZGQZTCS-FXAWDEMLSA-N 2 1 381.520 3.826 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479451730 867781886 /nfs/dbraw/zinc/78/18/86/867781886.db2.gz XUZBOFGZGQZTCS-FXAWDEMLSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000155254909 867837736 /nfs/dbraw/zinc/83/77/36/867837736.db2.gz GTIQPBWFWKEMMM-JTDSTZFVSA-N 2 1 395.385 3.816 20 0 GHADMP O=[S@](CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534963884 867876336 /nfs/dbraw/zinc/87/63/36/867876336.db2.gz PABFKNFRPUMYTJ-HHHXNRCGSA-N 2 1 382.573 3.782 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000479528745 867925846 /nfs/dbraw/zinc/92/58/46/867925846.db2.gz JTERTYDXGWAXQJ-TZIWHRDSSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000479528745 867925861 /nfs/dbraw/zinc/92/58/61/867925861.db2.gz JTERTYDXGWAXQJ-TZIWHRDSSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000479528745 867925875 /nfs/dbraw/zinc/92/58/75/867925875.db2.gz JTERTYDXGWAXQJ-TZIWHRDSSA-N 2 1 390.616 3.689 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000523784373 867958895 /nfs/dbraw/zinc/95/88/95/867958895.db2.gz SUXLHDAPPRLYRL-MOPGFXCFSA-N 2 1 392.613 3.504 20 0 GHADMP C[C@H]1[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000479652232 868308174 /nfs/dbraw/zinc/30/81/74/868308174.db2.gz YBAPBHFJOBMQNT-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000479652232 868308186 /nfs/dbraw/zinc/30/81/86/868308186.db2.gz YBAPBHFJOBMQNT-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000479652232 868308200 /nfs/dbraw/zinc/30/82/00/868308200.db2.gz YBAPBHFJOBMQNT-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2ccccc2o1 ZINC000156965896 868516161 /nfs/dbraw/zinc/51/61/61/868516161.db2.gz WXSVCUDRSIVYSD-UTKZUKDTSA-N 2 1 391.515 3.981 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1 ZINC000457661597 868594866 /nfs/dbraw/zinc/59/48/66/868594866.db2.gz STSXVNHERKPSBR-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000457661597 868594876 /nfs/dbraw/zinc/59/48/76/868594876.db2.gz STSXVNHERKPSBR-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000457661597 868594889 /nfs/dbraw/zinc/59/48/89/868594889.db2.gz STSXVNHERKPSBR-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)C1 ZINC000457661586 868595331 /nfs/dbraw/zinc/59/53/31/868595331.db2.gz STSXVNHERKPSBR-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000457661586 868595344 /nfs/dbraw/zinc/59/53/44/868595344.db2.gz STSXVNHERKPSBR-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000457661586 868595353 /nfs/dbraw/zinc/59/53/53/868595353.db2.gz STSXVNHERKPSBR-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C[NH+](C)C)c1 ZINC000524349700 868950041 /nfs/dbraw/zinc/95/00/41/868950041.db2.gz FCBQVVKEUGMJDD-OALUTQOASA-N 2 1 395.547 3.918 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628827 869111292 /nfs/dbraw/zinc/11/12/92/869111292.db2.gz OCRNBHJLGZKGDD-BJLQDIEVSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379628827 869111298 /nfs/dbraw/zinc/11/12/98/869111298.db2.gz OCRNBHJLGZKGDD-BJLQDIEVSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000539495803 869246856 /nfs/dbraw/zinc/24/68/56/869246856.db2.gz FHIHGJKFDVOTQL-LJQANCHMSA-N 2 1 395.547 3.627 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000524751275 869496016 /nfs/dbraw/zinc/49/60/16/869496016.db2.gz LBAILAQVJPYDDB-APWZRJJASA-N 2 1 380.374 3.610 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000524751275 869496024 /nfs/dbraw/zinc/49/60/24/869496024.db2.gz LBAILAQVJPYDDB-APWZRJJASA-N 2 1 380.374 3.610 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000190917994 882307921 /nfs/dbraw/zinc/30/79/21/882307921.db2.gz UBZASYGVVSDWLS-QGZVFWFLSA-N 2 1 381.307 3.626 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000190917994 882307940 /nfs/dbraw/zinc/30/79/40/882307940.db2.gz UBZASYGVVSDWLS-QGZVFWFLSA-N 2 1 381.307 3.626 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnnn2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000491270851 869523629 /nfs/dbraw/zinc/52/36/29/869523629.db2.gz KIIJRNSLISPUDS-WIYYLYMNSA-N 2 1 381.549 3.561 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnnn2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000491270851 869523641 /nfs/dbraw/zinc/52/36/41/869523641.db2.gz KIIJRNSLISPUDS-WIYYLYMNSA-N 2 1 381.549 3.561 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000539688878 869610592 /nfs/dbraw/zinc/61/05/92/869610592.db2.gz WFHLNCSNGSAXKC-HXUWFJFHSA-N 2 1 386.584 3.688 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000524857400 869656461 /nfs/dbraw/zinc/65/64/61/869656461.db2.gz LVDIKAGLESVKRU-KRWDZBQOSA-N 2 1 386.462 3.585 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)c2)CC1 ZINC000462588895 869718016 /nfs/dbraw/zinc/71/80/16/869718016.db2.gz GBYQFPRNZIJMEQ-UHFFFAOYSA-N 2 1 396.535 3.797 20 0 GHADMP C[N@H+](Cc1ccccc1CNC(=O)Cn1c[nH+]c2c1CCCC2)C1CCCCC1 ZINC000539789602 869782896 /nfs/dbraw/zinc/78/28/96/869782896.db2.gz PLJIBBLVIZEZIL-UHFFFAOYSA-N 2 1 394.563 3.843 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)Cn1c[nH+]c2c1CCCC2)C1CCCCC1 ZINC000539789602 869782899 /nfs/dbraw/zinc/78/28/99/869782899.db2.gz PLJIBBLVIZEZIL-UHFFFAOYSA-N 2 1 394.563 3.843 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000539872089 869941086 /nfs/dbraw/zinc/94/10/86/869941086.db2.gz GHNOVVYVZYLKHA-SIKLNZKXSA-N 2 1 386.584 3.907 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539898620 869986213 /nfs/dbraw/zinc/98/62/13/869986213.db2.gz YRNBEPILZWEMPU-QPTUXGOLSA-N 2 1 396.579 3.540 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000539898620 869986223 /nfs/dbraw/zinc/98/62/23/869986223.db2.gz YRNBEPILZWEMPU-QPTUXGOLSA-N 2 1 396.579 3.540 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900490 869989640 /nfs/dbraw/zinc/98/96/40/869989640.db2.gz VLSJMWIQDJIOSX-WMZOPIPTSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900490 869989649 /nfs/dbraw/zinc/98/96/49/869989649.db2.gz VLSJMWIQDJIOSX-WMZOPIPTSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@@H]21 ZINC000539900490 869989661 /nfs/dbraw/zinc/98/96/61/869989661.db2.gz VLSJMWIQDJIOSX-WMZOPIPTSA-N 2 1 378.442 3.807 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000462748554 870016038 /nfs/dbraw/zinc/01/60/38/870016038.db2.gz DAFUQWCXQXCRDR-GOTSBHOMSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1cc(C)cc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000462750914 870017858 /nfs/dbraw/zinc/01/78/58/870017858.db2.gz RXRYBVWRCWPWDC-JOCHJYFZSA-N 2 1 379.548 3.647 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000446591998 870069963 /nfs/dbraw/zinc/06/99/63/870069963.db2.gz JWLKQEPAVRNJJK-UHFFFAOYSA-N 2 1 386.584 3.911 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CC(C)C)C3CCCC3)cc2)CC1 ZINC000746152322 870080887 /nfs/dbraw/zinc/08/08/87/870080887.db2.gz ARMYMVZTTGGOTH-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000468089273 870126134 /nfs/dbraw/zinc/12/61/34/870126134.db2.gz QBFZUPBVNHPWHD-CUWPLCDZSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000468089273 870126144 /nfs/dbraw/zinc/12/61/44/870126144.db2.gz QBFZUPBVNHPWHD-CUWPLCDZSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000468089273 870126155 /nfs/dbraw/zinc/12/61/55/870126155.db2.gz QBFZUPBVNHPWHD-CUWPLCDZSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000468089273 870126160 /nfs/dbraw/zinc/12/61/60/870126160.db2.gz QBFZUPBVNHPWHD-CUWPLCDZSA-N 2 1 397.588 3.694 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001170436599 882383325 /nfs/dbraw/zinc/38/33/25/882383325.db2.gz JKHLUKKQMKAVSL-OALUTQOASA-N 2 1 388.552 3.748 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1)CC1CC1 ZINC000540010472 870222169 /nfs/dbraw/zinc/22/21/69/870222169.db2.gz RXZZQOWQBYFLMQ-SFHVURJKSA-N 2 1 380.621 3.506 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1)CC1CC1 ZINC000540046661 870252014 /nfs/dbraw/zinc/25/20/14/870252014.db2.gz JELMNQBWNIZNJX-JOCHJYFZSA-N 2 1 387.543 3.765 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1)CC1CC1 ZINC000540046661 870252028 /nfs/dbraw/zinc/25/20/28/870252028.db2.gz JELMNQBWNIZNJX-JOCHJYFZSA-N 2 1 387.543 3.765 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000248067933 870279019 /nfs/dbraw/zinc/27/90/19/870279019.db2.gz ZZDHUBMEHULRLU-UYAOXDASSA-N 2 1 390.572 3.568 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000248067933 870279036 /nfs/dbraw/zinc/27/90/36/870279036.db2.gz ZZDHUBMEHULRLU-UYAOXDASSA-N 2 1 390.572 3.568 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000248138129 870298249 /nfs/dbraw/zinc/29/82/49/870298249.db2.gz XWLXMFSCDKPRNK-QKNQBKEWSA-N 2 1 398.576 3.630 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000525300748 870354498 /nfs/dbraw/zinc/35/44/98/870354498.db2.gz OVISXPPCWHXRPC-PKOBYXMFSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000525300748 870354540 /nfs/dbraw/zinc/35/45/40/870354540.db2.gz OVISXPPCWHXRPC-PKOBYXMFSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000525300748 870354558 /nfs/dbraw/zinc/35/45/58/870354558.db2.gz OVISXPPCWHXRPC-PKOBYXMFSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@]([NH3+])(Cc1ccccc1F)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001212325019 870432204 /nfs/dbraw/zinc/43/22/04/870432204.db2.gz FOBOJFKDVWHJPW-GWECRGSCSA-N 2 1 393.466 3.754 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248548632 870484683 /nfs/dbraw/zinc/48/46/83/870484683.db2.gz FPRJZPBGGTWPEI-AVCGJXAMSA-N 2 1 382.548 3.822 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000248580195 870512438 /nfs/dbraw/zinc/51/24/38/870512438.db2.gz OJWSJGNJNYVXRH-FHJLPGHOSA-N 2 1 389.559 3.882 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000248580195 870512448 /nfs/dbraw/zinc/51/24/48/870512448.db2.gz OJWSJGNJNYVXRH-FHJLPGHOSA-N 2 1 389.559 3.882 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000538723922 870519195 /nfs/dbraw/zinc/51/91/95/870519195.db2.gz GWJJZERGUBFVDD-PGRDOPGGSA-N 2 1 385.527 3.852 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000538723922 870519210 /nfs/dbraw/zinc/51/92/10/870519210.db2.gz GWJJZERGUBFVDD-PGRDOPGGSA-N 2 1 385.527 3.852 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001170438308 882440207 /nfs/dbraw/zinc/44/02/07/882440207.db2.gz RDBJRJRZSYAXMR-GUDVDZBRSA-N 2 1 384.545 3.862 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000538869020 870792061 /nfs/dbraw/zinc/79/20/61/870792061.db2.gz VBYACIVOFKEWPU-MMOPVJDHSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000538869020 870792071 /nfs/dbraw/zinc/79/20/71/870792071.db2.gz VBYACIVOFKEWPU-MMOPVJDHSA-N 2 1 399.485 3.570 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1)CC(C)C ZINC000540264480 870871510 /nfs/dbraw/zinc/87/15/10/870871510.db2.gz ITBYYTBVSRHLJI-NHCUHLMSSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168840228 870901576 /nfs/dbraw/zinc/90/15/76/870901576.db2.gz STVNGADZFCOWII-QCFAMHMHSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168840228 870901590 /nfs/dbraw/zinc/90/15/90/870901590.db2.gz STVNGADZFCOWII-QCFAMHMHSA-N 2 1 387.568 3.885 20 0 GHADMP CCn1c(C)cc(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000538945919 870953273 /nfs/dbraw/zinc/95/32/73/870953273.db2.gz WRCFCKAYMRCGSY-UHFFFAOYSA-N 2 1 382.552 3.941 20 0 GHADMP CCn1c(C)cc(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000538945919 870953282 /nfs/dbraw/zinc/95/32/82/870953282.db2.gz WRCFCKAYMRCGSY-UHFFFAOYSA-N 2 1 382.552 3.941 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463118165 870955060 /nfs/dbraw/zinc/95/50/60/870955060.db2.gz WUZPYUQFGKODID-GHTZIAJQSA-N 2 1 383.511 3.507 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463118165 870955067 /nfs/dbraw/zinc/95/50/67/870955067.db2.gz WUZPYUQFGKODID-GHTZIAJQSA-N 2 1 383.511 3.507 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2)CC1)CC1CC1 ZINC000538948236 870957956 /nfs/dbraw/zinc/95/79/56/870957956.db2.gz GONCWKWDXPXFRV-GOSISDBHSA-N 2 1 387.568 3.856 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]C2CCN(c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000463133539 870977704 /nfs/dbraw/zinc/97/77/04/870977704.db2.gz TZVWMRSXYFQGBF-RUZDIDTESA-N 2 1 392.591 3.624 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001170438754 882463840 /nfs/dbraw/zinc/46/38/40/882463840.db2.gz USKHSXSWBZCPOC-NZQKXSOJSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@]2(C1)COCC[NH+](C(C)C)C2 ZINC001170438754 882463844 /nfs/dbraw/zinc/46/38/44/882463844.db2.gz USKHSXSWBZCPOC-NZQKXSOJSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001170438754 882463845 /nfs/dbraw/zinc/46/38/45/882463845.db2.gz USKHSXSWBZCPOC-NZQKXSOJSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001170438754 882463849 /nfs/dbraw/zinc/46/38/49/882463849.db2.gz USKHSXSWBZCPOC-NZQKXSOJSA-N 2 1 388.552 3.559 20 0 GHADMP CCN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617926797 871031846 /nfs/dbraw/zinc/03/18/46/871031846.db2.gz JACVNHLCDCESHU-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CCN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H]1CC[NH+](CC)C1 ZINC000617926797 871031854 /nfs/dbraw/zinc/03/18/54/871031854.db2.gz JACVNHLCDCESHU-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H]1CC[NH+](CC)C1 ZINC000617926797 871031870 /nfs/dbraw/zinc/03/18/70/871031870.db2.gz JACVNHLCDCESHU-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000540343163 871068990 /nfs/dbraw/zinc/06/89/90/871068990.db2.gz OADRLTOLKXDMEQ-ZEYPLWLESA-N 2 1 395.547 3.515 20 0 GHADMP CC[NH+]1CCC([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000540394890 871165244 /nfs/dbraw/zinc/16/52/44/871165244.db2.gz DLYAUWAWWXEKKB-UHFFFAOYSA-N 2 1 395.263 3.921 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169097825 871173767 /nfs/dbraw/zinc/17/37/67/871173767.db2.gz CDUVHMFFSRGENN-KSSXRGRSSA-N 2 1 377.573 3.771 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC000667195389 871197395 /nfs/dbraw/zinc/19/73/95/871197395.db2.gz XACKOAVFWNCTKH-IRLDBZIGSA-N 2 1 378.520 3.632 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131731 871222434 /nfs/dbraw/zinc/22/24/34/871222434.db2.gz YIYKWFPMZULUGB-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(CC(=O)OCc3ccccc3)cc1)C2 ZINC001169107852 871232453 /nfs/dbraw/zinc/23/24/53/871232453.db2.gz LJCGWLQWWBDRHA-WBDAEOGXSA-N 2 1 378.516 3.687 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000191498470 882492177 /nfs/dbraw/zinc/49/21/77/882492177.db2.gz XBQPGEMILKENOG-HXUWFJFHSA-N 2 1 382.017 3.846 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169154191 871268201 /nfs/dbraw/zinc/26/82/01/871268201.db2.gz NXMAQHLQVAQTMK-ACDBMABISA-N 2 1 381.486 3.885 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000463272945 871343563 /nfs/dbraw/zinc/34/35/63/871343563.db2.gz WBLMSWBKLHNJRN-CJFMBICVSA-N 2 1 395.566 3.943 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000539122913 871352688 /nfs/dbraw/zinc/35/26/88/871352688.db2.gz XGWZALBPPIGTDR-CYFREDJKSA-N 2 1 398.547 3.973 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000539122913 871352705 /nfs/dbraw/zinc/35/27/05/871352705.db2.gz XGWZALBPPIGTDR-CYFREDJKSA-N 2 1 398.547 3.973 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000462038888 871490715 /nfs/dbraw/zinc/49/07/15/871490715.db2.gz NAVJFXJRDIEQHG-DEOSSOPVSA-N 2 1 391.559 3.776 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000462038888 871490722 /nfs/dbraw/zinc/49/07/22/871490722.db2.gz NAVJFXJRDIEQHG-DEOSSOPVSA-N 2 1 391.559 3.776 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000462038888 871490726 /nfs/dbraw/zinc/49/07/26/871490726.db2.gz NAVJFXJRDIEQHG-DEOSSOPVSA-N 2 1 391.559 3.776 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000525834522 871521764 /nfs/dbraw/zinc/52/17/64/871521764.db2.gz MDSOYRSYIYEMGH-BZUAXINKSA-N 2 1 375.504 3.747 20 0 GHADMP CC[C@@H](C[N@@H+](CC)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001169483881 871534631 /nfs/dbraw/zinc/53/46/31/871534631.db2.gz YEBUMWQRHMULHY-RTWAWAEBSA-N 2 1 394.563 3.634 20 0 GHADMP [NH3+]C1(c2ccc(N[C@@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2)CC1 ZINC001169517541 871624331 /nfs/dbraw/zinc/62/43/31/871624331.db2.gz GLJGBCOEHXBFPR-GHTZIAJQSA-N 2 1 379.504 3.506 20 0 GHADMP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](CC)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000462114764 871639645 /nfs/dbraw/zinc/63/96/45/871639645.db2.gz YIROMSMCHDHITM-RDPSFJRHSA-N 2 1 399.623 3.956 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)[NH+](C)C ZINC000539319863 871682647 /nfs/dbraw/zinc/68/26/47/871682647.db2.gz JSPRRVGKIYJIBJ-YADHBBJMSA-N 2 1 389.584 3.991 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164618 871722720 /nfs/dbraw/zinc/72/27/20/871722720.db2.gz NTNNQOZGEVKHJU-DVECYGJZSA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164618 871722726 /nfs/dbraw/zinc/72/27/26/871722726.db2.gz NTNNQOZGEVKHJU-DVECYGJZSA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164618 871722735 /nfs/dbraw/zinc/72/27/35/871722735.db2.gz NTNNQOZGEVKHJU-DVECYGJZSA-N 2 1 391.559 3.921 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001169712008 871799108 /nfs/dbraw/zinc/79/91/08/871799108.db2.gz XJFUTNAPRACJLB-OAQYLSRUSA-N 2 1 391.531 3.733 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001169712008 871799125 /nfs/dbraw/zinc/79/91/25/871799125.db2.gz XJFUTNAPRACJLB-OAQYLSRUSA-N 2 1 391.531 3.733 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001169721433 871809887 /nfs/dbraw/zinc/80/98/87/871809887.db2.gz PUTMBMWHHRDKQW-ISKFKSNPSA-N 2 1 391.559 3.793 20 0 GHADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821220 871848986 /nfs/dbraw/zinc/84/89/86/871848986.db2.gz SESQYASLSZBVAQ-HSALFYBXSA-N 2 1 386.584 3.513 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCN1 ZINC001169831328 871899317 /nfs/dbraw/zinc/89/93/17/871899317.db2.gz QDVXLXKQIQAUAV-FCHUYYIVSA-N 2 1 397.950 3.786 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCN1 ZINC001169831328 871899338 /nfs/dbraw/zinc/89/93/38/871899338.db2.gz QDVXLXKQIQAUAV-FCHUYYIVSA-N 2 1 397.950 3.786 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000552044049 871925576 /nfs/dbraw/zinc/92/55/76/871925576.db2.gz NHIKZQTWYCCHBN-ZJZGAYNASA-N 2 1 386.580 3.710 20 0 GHADMP CC1(C)C[N@@H+](CCCN2CCN(c3ccccc3)CC2)Cc2ccccc2O1 ZINC001194817380 871969976 /nfs/dbraw/zinc/96/99/76/871969976.db2.gz PVTXRETVCIGNII-UHFFFAOYSA-N 2 1 379.548 3.872 20 0 GHADMP CC1(C)CN(CCC[NH+]2CCN(c3ccccc3)CC2)Cc2ccccc2O1 ZINC001194817380 871969985 /nfs/dbraw/zinc/96/99/85/871969985.db2.gz PVTXRETVCIGNII-UHFFFAOYSA-N 2 1 379.548 3.872 20 0 GHADMP CCOC(=O)c1cccc(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)n1 ZINC001169875432 871978498 /nfs/dbraw/zinc/97/84/98/871978498.db2.gz XLHYGHCBMBGEGM-SFHVURJKSA-N 2 1 393.491 3.535 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCCC4(C2)OCCO4)CC3)c1 ZINC001169946128 872047405 /nfs/dbraw/zinc/04/74/05/872047405.db2.gz VYMDVOTXRHCIPN-GOSISDBHSA-N 2 1 376.566 3.722 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169949242 872049354 /nfs/dbraw/zinc/04/93/54/872049354.db2.gz MQIIFAZIYHMIHA-QGZVFWFLSA-N 2 1 387.911 3.696 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1F ZINC000775621823 872060062 /nfs/dbraw/zinc/06/00/62/872060062.db2.gz MRYWBQIZHIHGEO-ROUUACIJSA-N 2 1 388.487 3.855 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4C)CC3)C2=O)cc1 ZINC000477923421 872154496 /nfs/dbraw/zinc/15/44/96/872154496.db2.gz AGRZLKABUIPLMF-VJBMBRPKSA-N 2 1 383.580 3.729 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000552248339 872266009 /nfs/dbraw/zinc/26/60/09/872266009.db2.gz DBCZTOIWWDMORG-ZRNYENFQSA-N 2 1 381.486 3.742 20 0 GHADMP C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110263 882615680 /nfs/dbraw/zinc/61/56/80/882615680.db2.gz VOPOJYJAMULPIB-FQEVSTJZSA-N 2 1 376.504 3.733 20 0 GHADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110263 882615690 /nfs/dbraw/zinc/61/56/90/882615690.db2.gz VOPOJYJAMULPIB-FQEVSTJZSA-N 2 1 376.504 3.733 20 0 GHADMP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110263 882615698 /nfs/dbraw/zinc/61/56/98/882615698.db2.gz VOPOJYJAMULPIB-FQEVSTJZSA-N 2 1 376.504 3.733 20 0 GHADMP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110263 882615707 /nfs/dbraw/zinc/61/57/07/882615707.db2.gz VOPOJYJAMULPIB-FQEVSTJZSA-N 2 1 376.504 3.733 20 0 GHADMP CCc1csc(CC2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001195631150 872521299 /nfs/dbraw/zinc/52/12/99/872521299.db2.gz RFAJXNLBZKAEOA-QHCPKHFHSA-N 2 1 399.604 3.597 20 0 GHADMP CCc1csc(CC2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001195631150 872521311 /nfs/dbraw/zinc/52/13/11/872521311.db2.gz RFAJXNLBZKAEOA-QHCPKHFHSA-N 2 1 399.604 3.597 20 0 GHADMP Cc1nn(C)c(Cl)c1CN(C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650968 872557889 /nfs/dbraw/zinc/55/78/89/872557889.db2.gz TYBMFGWGQNUXJJ-IYBDPMFKSA-N 2 1 390.959 3.623 20 0 GHADMP Cc1nn(C)c(Cl)c1CN(C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650968 872557899 /nfs/dbraw/zinc/55/78/99/872557899.db2.gz TYBMFGWGQNUXJJ-IYBDPMFKSA-N 2 1 390.959 3.623 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000540991672 872688339 /nfs/dbraw/zinc/68/83/39/872688339.db2.gz IXHPZYFLTJFZRP-QHCPKHFHSA-N 2 1 397.538 3.967 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000152849419 872912679 /nfs/dbraw/zinc/91/26/79/872912679.db2.gz VVHMCRXRIRDTAS-CGTJXYLNSA-N 2 1 385.474 3.545 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000768092700 873060826 /nfs/dbraw/zinc/06/08/26/873060826.db2.gz FVSSUYXLONKQBO-DEOSSOPVSA-N 2 1 393.575 4.000 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541223013 873182500 /nfs/dbraw/zinc/18/25/00/873182500.db2.gz CYDZDNAHNADJHH-KXBFYZLASA-N 2 1 381.358 3.653 20 0 GHADMP CCCC[N@H+](CC(=O)NC(=O)Nc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196546448 873199749 /nfs/dbraw/zinc/19/97/49/873199749.db2.gz YWZYAZBHEZBMQQ-UHFFFAOYSA-N 2 1 388.556 3.746 20 0 GHADMP CCCC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196546448 873199755 /nfs/dbraw/zinc/19/97/55/873199755.db2.gz YWZYAZBHEZBMQQ-UHFFFAOYSA-N 2 1 388.556 3.746 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000122817658 882719325 /nfs/dbraw/zinc/71/93/25/882719325.db2.gz SSRQWJIBOZNBCM-KRWDZBQOSA-N 2 1 383.540 3.663 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)N(C)C)C1 ZINC000448464792 873418917 /nfs/dbraw/zinc/41/89/17/873418917.db2.gz GBIVCGZBRDIQHO-FXAWDEMLSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000448464792 873418924 /nfs/dbraw/zinc/41/89/24/873418924.db2.gz GBIVCGZBRDIQHO-FXAWDEMLSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000448464792 873418927 /nfs/dbraw/zinc/41/89/27/873418927.db2.gz GBIVCGZBRDIQHO-FXAWDEMLSA-N 2 1 394.991 3.610 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000541339577 873425647 /nfs/dbraw/zinc/42/56/47/873425647.db2.gz REMBJYFQUKDNDL-KDURUIRLSA-N 2 1 394.987 3.863 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000541339577 873425652 /nfs/dbraw/zinc/42/56/52/873425652.db2.gz REMBJYFQUKDNDL-KDURUIRLSA-N 2 1 394.987 3.863 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H]1C ZINC000541433595 873571595 /nfs/dbraw/zinc/57/15/95/873571595.db2.gz HGDXHJVELKHYCS-IHPCNDPISA-N 2 1 386.584 3.824 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H]1C ZINC000541433595 873571599 /nfs/dbraw/zinc/57/15/99/873571599.db2.gz HGDXHJVELKHYCS-IHPCNDPISA-N 2 1 386.584 3.824 20 0 GHADMP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CC2 ZINC000541438881 873581494 /nfs/dbraw/zinc/58/14/94/873581494.db2.gz ISMOZNVDCZRCPW-LJQANCHMSA-N 2 1 384.568 3.580 20 0 GHADMP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CC2 ZINC000541438881 873581501 /nfs/dbraw/zinc/58/15/01/873581501.db2.gz ISMOZNVDCZRCPW-LJQANCHMSA-N 2 1 384.568 3.580 20 0 GHADMP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001197283384 873710853 /nfs/dbraw/zinc/71/08/53/873710853.db2.gz BFBYPLRBJJLOAL-OAHLLOKOSA-N 2 1 392.544 3.960 20 0 GHADMP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001197283384 873710856 /nfs/dbraw/zinc/71/08/56/873710856.db2.gz BFBYPLRBJJLOAL-OAHLLOKOSA-N 2 1 392.544 3.960 20 0 GHADMP CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541537666 873790215 /nfs/dbraw/zinc/79/02/15/873790215.db2.gz ZPBDYJHVLPFINJ-QFIPXVFZSA-N 2 1 389.547 3.920 20 0 GHADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882711 882762301 /nfs/dbraw/zinc/76/23/01/882762301.db2.gz RPBSTDWMQMEIMH-VABKMULXSA-N 2 1 386.580 3.710 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@H](C)O1 ZINC000541537062 873827687 /nfs/dbraw/zinc/82/76/87/873827687.db2.gz GQALNTPULKWQRI-HDICACEKSA-N 2 1 388.581 3.645 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550883011 882766010 /nfs/dbraw/zinc/76/60/10/882766010.db2.gz WANCVEANIQHCFZ-JOCHJYFZSA-N 2 1 399.623 3.768 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550883011 882766015 /nfs/dbraw/zinc/76/60/15/882766015.db2.gz WANCVEANIQHCFZ-JOCHJYFZSA-N 3 1 399.623 3.768 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550883011 882766019 /nfs/dbraw/zinc/76/60/19/882766019.db2.gz WANCVEANIQHCFZ-JOCHJYFZSA-N 3 1 399.623 3.768 20 0 GHADMP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000528188821 874180887 /nfs/dbraw/zinc/18/08/87/874180887.db2.gz FYEFMGHNUKCOOH-UHFFFAOYSA-N 2 1 390.325 3.688 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476658717 882805952 /nfs/dbraw/zinc/80/59/52/882805952.db2.gz RLNOWNIJJPCCOS-CTNGQTDRSA-N 2 1 398.551 3.626 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000541811811 874334318 /nfs/dbraw/zinc/33/43/18/874334318.db2.gz KHYQJOQLYFGMBY-IRXDYDNUSA-N 2 1 383.540 3.613 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3C3CCCC3)cc2)C[C@H](C)O1 ZINC000449075436 874455548 /nfs/dbraw/zinc/45/55/48/874455548.db2.gz RATORFFHRYFXGO-KDURUIRLSA-N 2 1 382.552 3.897 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449077888 874459859 /nfs/dbraw/zinc/45/98/59/874459859.db2.gz KKRYSHWMUZYCOJ-INIZCTEOSA-N 2 1 388.383 3.768 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000449100320 874471203 /nfs/dbraw/zinc/47/12/03/874471203.db2.gz BNJIJHDSJBRPLO-RDPSFJRHSA-N 2 1 393.575 3.891 20 0 GHADMP COc1ccc(CNC(=O)C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000449102450 874474164 /nfs/dbraw/zinc/47/41/64/874474164.db2.gz JZSYUPAOAXZKGC-UHFFFAOYSA-N 2 1 389.584 3.580 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000528393533 874510771 /nfs/dbraw/zinc/51/07/71/874510771.db2.gz GHJACEQZFSQIBU-IYBDPMFKSA-N 2 1 385.474 3.812 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000528393533 874510775 /nfs/dbraw/zinc/51/07/75/874510775.db2.gz GHJACEQZFSQIBU-IYBDPMFKSA-N 2 1 385.474 3.812 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000464794672 874525401 /nfs/dbraw/zinc/52/54/01/874525401.db2.gz TXGUQYSXJFQMDG-PGRDOPGGSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000464794672 874525404 /nfs/dbraw/zinc/52/54/04/874525404.db2.gz TXGUQYSXJFQMDG-PGRDOPGGSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000464794672 874525410 /nfs/dbraw/zinc/52/54/10/874525410.db2.gz TXGUQYSXJFQMDG-PGRDOPGGSA-N 2 1 385.577 3.617 20 0 GHADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449186571 874578164 /nfs/dbraw/zinc/57/81/64/874578164.db2.gz KSLQAHKLJBNMLS-UXHICEINSA-N 2 1 389.540 3.807 20 0 GHADMP O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000770324271 874599016 /nfs/dbraw/zinc/59/90/16/874599016.db2.gz MYQVYBURUBALBP-IRLDBZIGSA-N 2 1 384.520 3.842 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235084 874601655 /nfs/dbraw/zinc/60/16/55/874601655.db2.gz SRQRNUFBJKPWIZ-IEBWSBKVSA-N 2 1 390.449 3.838 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235084 874601664 /nfs/dbraw/zinc/60/16/64/874601664.db2.gz SRQRNUFBJKPWIZ-IEBWSBKVSA-N 2 1 390.449 3.838 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528474054 874618498 /nfs/dbraw/zinc/61/84/98/874618498.db2.gz HFCUAPUBFVMXLD-SFHVURJKSA-N 2 1 392.906 3.756 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528474054 874618507 /nfs/dbraw/zinc/61/85/07/874618507.db2.gz HFCUAPUBFVMXLD-SFHVURJKSA-N 2 1 392.906 3.756 20 0 GHADMP C[N@@H+](CCC(=O)NCc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843356 874619634 /nfs/dbraw/zinc/61/96/34/874619634.db2.gz TZSZXPSXBDFNNA-HXUWFJFHSA-N 2 1 399.966 3.800 20 0 GHADMP C[NH+](CCC(=O)NCc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843356 874619638 /nfs/dbraw/zinc/61/96/38/874619638.db2.gz TZSZXPSXBDFNNA-HXUWFJFHSA-N 2 1 399.966 3.800 20 0 GHADMP C[NH+](CCC(=O)NCc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843356 874619644 /nfs/dbraw/zinc/61/96/44/874619644.db2.gz TZSZXPSXBDFNNA-HXUWFJFHSA-N 2 1 399.966 3.800 20 0 GHADMP CNC(=O)C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449299743 874686869 /nfs/dbraw/zinc/68/68/69/874686869.db2.gz MVDOJBRILGKEAR-WMZHIEFXSA-N 2 1 379.548 3.549 20 0 GHADMP Cc1ccccc1-c1ccccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000449325566 874707266 /nfs/dbraw/zinc/70/72/66/874707266.db2.gz NOIACEAQRLFFJT-UHFFFAOYSA-N 2 1 391.559 3.648 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)c2cccs2)CC1 ZINC001198969502 874733602 /nfs/dbraw/zinc/73/36/02/874733602.db2.gz PXTWYGNITKFRAH-INIZCTEOSA-N 2 1 399.391 3.715 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000449334525 874752313 /nfs/dbraw/zinc/75/23/13/874752313.db2.gz FBKFHUAOGXDWIA-CPJSRVTESA-N 2 1 393.575 3.761 20 0 GHADMP CN(C)c1ncc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000449417117 874813435 /nfs/dbraw/zinc/81/34/35/874813435.db2.gz XARNKAXUPQTDQW-QFIPXVFZSA-N 2 1 393.579 3.665 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC001199190039 874844715 /nfs/dbraw/zinc/84/47/15/874844715.db2.gz RJVDCKLVLBXSFU-PKTZIBPZSA-N 2 1 385.596 3.837 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)cc1I ZINC001199354588 874920281 /nfs/dbraw/zinc/92/02/81/874920281.db2.gz WDLOJVSPFVHYPI-HOTGVXAUSA-N 2 1 384.305 3.624 20 0 GHADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000168509548 874927244 /nfs/dbraw/zinc/92/72/44/874927244.db2.gz IENODLIBPQHWIZ-LBVMUVSTSA-N 2 1 379.548 3.834 20 0 GHADMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CC[NH+](C)CC1 ZINC000528997186 875419083 /nfs/dbraw/zinc/41/90/83/875419083.db2.gz WNDBRIWGYWDQDK-VEXUSMLFSA-N 2 1 395.591 3.691 20 0 GHADMP C[C@@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CC[N@H+](C)CC1 ZINC000528997186 875419090 /nfs/dbraw/zinc/41/90/90/875419090.db2.gz WNDBRIWGYWDQDK-VEXUSMLFSA-N 2 1 395.591 3.691 20 0 GHADMP C[C@@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000528997186 875419098 /nfs/dbraw/zinc/41/90/98/875419098.db2.gz WNDBRIWGYWDQDK-VEXUSMLFSA-N 2 1 395.591 3.691 20 0 GHADMP CCCC[C@@H](CC)COCCCNc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001168113437 875563158 /nfs/dbraw/zinc/56/31/58/875563158.db2.gz PEZDKOSCHADPKJ-LJQANCHMSA-N 2 1 391.604 3.995 20 0 GHADMP FC(F)(F)CC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001202318970 876134902 /nfs/dbraw/zinc/13/49/02/876134902.db2.gz DGGWNSMFPIDHLK-ICSRJNTNSA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001202318970 876134909 /nfs/dbraw/zinc/13/49/09/876134909.db2.gz DGGWNSMFPIDHLK-ICSRJNTNSA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001202318970 876134920 /nfs/dbraw/zinc/13/49/20/876134920.db2.gz DGGWNSMFPIDHLK-ICSRJNTNSA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001202318970 876134929 /nfs/dbraw/zinc/13/49/29/876134929.db2.gz DGGWNSMFPIDHLK-ICSRJNTNSA-N 2 1 397.485 3.585 20 0 GHADMP C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465423830 882998713 /nfs/dbraw/zinc/99/87/13/882998713.db2.gz SEFZTCALTSNHTF-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000134722214 883013354 /nfs/dbraw/zinc/01/33/54/883013354.db2.gz BLIIWJROMXBJKN-UHFFFAOYSA-N 2 1 386.584 3.735 20 0 GHADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2ccc(F)cc2)cc1 ZINC000492224730 876448526 /nfs/dbraw/zinc/44/85/26/876448526.db2.gz NTSYJYGSJRNAFW-GMAHTHKFSA-N 2 1 386.511 3.750 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC000450576083 876636428 /nfs/dbraw/zinc/63/64/28/876636428.db2.gz OHTQBDYAXIDZBW-ZLNRFVROSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC000450576083 876636439 /nfs/dbraw/zinc/63/64/39/876636439.db2.gz OHTQBDYAXIDZBW-ZLNRFVROSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000450576083 876636445 /nfs/dbraw/zinc/63/64/45/876636445.db2.gz OHTQBDYAXIDZBW-ZLNRFVROSA-N 2 1 378.649 3.518 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC000529838636 876732993 /nfs/dbraw/zinc/73/29/93/876732993.db2.gz VTSSDYVIKRLBLM-QFIPXVFZSA-N 2 1 395.547 3.541 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC000529838636 876732996 /nfs/dbraw/zinc/73/29/96/876732996.db2.gz VTSSDYVIKRLBLM-QFIPXVFZSA-N 2 1 395.547 3.541 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000786837224 876955615 /nfs/dbraw/zinc/95/56/15/876955615.db2.gz JQNZBAMKUAEGQD-MOPGFXCFSA-N 2 1 393.369 3.978 20 0 GHADMP Clc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000530248559 877331782 /nfs/dbraw/zinc/33/17/82/877331782.db2.gz MMXAVDCHJKUQNJ-HNNXBMFYSA-N 2 1 387.749 3.693 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1ccc(C[NH2+]C)cc1)[C@H](C)Cc1ccc(O)cc1 ZINC001183050813 912222956 /nfs/dbraw/zinc/22/29/56/912222956.db2.gz KVHHZONISOAUSR-GOSISDBHSA-N 2 1 383.536 3.783 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000642630852 912228873 /nfs/dbraw/zinc/22/88/73/912228873.db2.gz NUCMRBVBAXLFQU-RTWAWAEBSA-N 2 1 396.531 3.999 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000642630852 912228887 /nfs/dbraw/zinc/22/88/87/912228887.db2.gz NUCMRBVBAXLFQU-RTWAWAEBSA-N 2 1 396.531 3.999 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000551538360 877403716 /nfs/dbraw/zinc/40/37/16/877403716.db2.gz HXVFRHPQBWSRJF-BRKWEVRTSA-N 2 1 399.604 3.827 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000530335919 877569235 /nfs/dbraw/zinc/56/92/35/877569235.db2.gz PBMFCRGBKVHWQF-NRFANRHFSA-N 2 1 393.522 3.508 20 0 GHADMP O=C(NCc1c[nH+]c2n1CCCC2)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000551646673 877580656 /nfs/dbraw/zinc/58/06/56/877580656.db2.gz VPMRKUFFMMUZSK-UHFFFAOYSA-N 2 1 395.551 3.595 20 0 GHADMP Fc1ccc(C2(NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551699300 877663855 /nfs/dbraw/zinc/66/38/55/877663855.db2.gz XBPFHYUOMWBLSA-QHCPKHFHSA-N 2 1 398.522 3.712 20 0 GHADMP Fc1ccc(C2(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551699300 877663870 /nfs/dbraw/zinc/66/38/70/877663870.db2.gz XBPFHYUOMWBLSA-QHCPKHFHSA-N 2 1 398.522 3.712 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477624927 877939197 /nfs/dbraw/zinc/93/91/97/877939197.db2.gz HWRVFMZWLNLZBE-XUWXXGDYSA-N 2 1 383.939 3.755 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000179857163 878088935 /nfs/dbraw/zinc/08/89/35/878088935.db2.gz NANNYBDAPRNUKF-UHFFFAOYSA-N 2 1 381.495 3.583 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2Cc3ccc(F)cc3C2=O)CC1 ZINC000179857163 878088951 /nfs/dbraw/zinc/08/89/51/878088951.db2.gz NANNYBDAPRNUKF-UHFFFAOYSA-N 2 1 381.495 3.583 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527528 878093029 /nfs/dbraw/zinc/09/30/29/878093029.db2.gz JQCGPZCYCJWGLK-XMSQKQJNSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527528 878093044 /nfs/dbraw/zinc/09/30/44/878093044.db2.gz JQCGPZCYCJWGLK-XMSQKQJNSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+]([C@@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527528 878093056 /nfs/dbraw/zinc/09/30/56/878093056.db2.gz JQCGPZCYCJWGLK-XMSQKQJNSA-N 2 1 389.971 3.594 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000530581407 878095908 /nfs/dbraw/zinc/09/59/08/878095908.db2.gz OXUWPARVKQWGGG-JLSDUUJJSA-N 2 1 385.474 3.687 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2cccs2)C1)C1CC[NH+](C)CC1 ZINC000245560730 878113789 /nfs/dbraw/zinc/11/37/89/878113789.db2.gz NEAZOEKGLIQBMR-OAQYLSRUSA-N 2 1 385.577 3.852 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2cccs2)C1)C1CC[NH+](C)CC1 ZINC000245560730 878113800 /nfs/dbraw/zinc/11/38/00/878113800.db2.gz NEAZOEKGLIQBMR-OAQYLSRUSA-N 2 1 385.577 3.852 20 0 GHADMP Clc1ccc2c(n1)[C@H]([NH2+]CCCCN1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000788544433 878139591 /nfs/dbraw/zinc/13/95/91/878139591.db2.gz DKMGXEZLAZKRFX-OAQYLSRUSA-N 2 1 398.982 3.910 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000451534201 878156363 /nfs/dbraw/zinc/15/63/63/878156363.db2.gz NATTUJQLBUTATO-NRFANRHFSA-N 2 1 391.987 3.539 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000451534201 878156369 /nfs/dbraw/zinc/15/63/69/878156369.db2.gz NATTUJQLBUTATO-NRFANRHFSA-N 2 1 391.987 3.539 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000451534201 878156373 /nfs/dbraw/zinc/15/63/73/878156373.db2.gz NATTUJQLBUTATO-NRFANRHFSA-N 2 1 391.987 3.539 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000451534201 878156383 /nfs/dbraw/zinc/15/63/83/878156383.db2.gz NATTUJQLBUTATO-NRFANRHFSA-N 2 1 391.987 3.539 20 0 GHADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852296402 878207461 /nfs/dbraw/zinc/20/74/61/878207461.db2.gz MTFHKUBTPCHRMZ-IBGZPJMESA-N 2 1 376.545 3.551 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000176319985 878210462 /nfs/dbraw/zinc/21/04/62/878210462.db2.gz MWZZRAACHNPBOB-NHCUHLMSSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000176319985 878210478 /nfs/dbraw/zinc/21/04/78/878210478.db2.gz MWZZRAACHNPBOB-NHCUHLMSSA-N 2 1 398.551 3.584 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300889 878212423 /nfs/dbraw/zinc/21/24/23/878212423.db2.gz MFDOXKAPNWRTRE-IBGZPJMESA-N 2 1 390.572 3.712 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300889 878212436 /nfs/dbraw/zinc/21/24/36/878212436.db2.gz MFDOXKAPNWRTRE-IBGZPJMESA-N 2 1 390.572 3.712 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000530626943 878224595 /nfs/dbraw/zinc/22/45/95/878224595.db2.gz NESZSSKBEGTJPF-SFHVURJKSA-N 2 1 377.916 3.928 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000530626943 878224613 /nfs/dbraw/zinc/22/46/13/878224613.db2.gz NESZSSKBEGTJPF-SFHVURJKSA-N 2 1 377.916 3.928 20 0 GHADMP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000788756291 878291510 /nfs/dbraw/zinc/29/15/10/878291510.db2.gz VVHMNPIISOFBEW-UREXAPBRSA-N 2 1 387.568 3.886 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176540095 878299714 /nfs/dbraw/zinc/29/97/14/878299714.db2.gz MSPRGOFIUZTMPX-QFIPXVFZSA-N 2 1 387.543 3.703 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CCc4ccccc4C2)C3)cc1 ZINC000245657347 878299916 /nfs/dbraw/zinc/29/99/16/878299916.db2.gz DWRJBKJTQNKBNR-QEIWAGNOSA-N 2 1 375.560 3.830 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176540095 878299732 /nfs/dbraw/zinc/29/97/32/878299732.db2.gz MSPRGOFIUZTMPX-QFIPXVFZSA-N 2 1 387.543 3.703 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccc(Cl)cc1 ZINC000451655701 878301506 /nfs/dbraw/zinc/30/15/06/878301506.db2.gz ZACLZNJLYWXFAI-HXUWFJFHSA-N 2 1 397.910 3.734 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccc(Cl)cc1 ZINC000451655701 878301522 /nfs/dbraw/zinc/30/15/22/878301522.db2.gz ZACLZNJLYWXFAI-HXUWFJFHSA-N 2 1 397.910 3.734 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537844349 878379629 /nfs/dbraw/zinc/37/96/29/878379629.db2.gz BHTMSMPDYDGQPS-HSZRJFAPSA-N 2 1 397.563 3.677 20 0 GHADMP O[C@H](COCc1ccccc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309704982 878407770 /nfs/dbraw/zinc/40/77/70/878407770.db2.gz HMSAAMSYCWJGLB-DEOSSOPVSA-N 2 1 394.559 3.552 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000616074188 878474137 /nfs/dbraw/zinc/47/41/37/878474137.db2.gz QDTGKVIZDXHTSA-QFIPXVFZSA-N 2 1 394.648 3.896 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245775963 878576546 /nfs/dbraw/zinc/57/65/46/878576546.db2.gz YBLRXKUZTCQYBC-KAOXLYBCSA-N 2 1 380.532 3.520 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CCO1 ZINC000852760481 878584393 /nfs/dbraw/zinc/58/43/93/878584393.db2.gz GOIYJGAHMAHFCJ-IBGZPJMESA-N 2 1 377.529 3.576 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CCO1 ZINC000852760481 878584400 /nfs/dbraw/zinc/58/44/00/878584400.db2.gz GOIYJGAHMAHFCJ-IBGZPJMESA-N 2 1 377.529 3.576 20 0 GHADMP COc1ccc([C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000538060947 878783707 /nfs/dbraw/zinc/78/37/07/878783707.db2.gz VMWLXIPLGZCXEN-IFMALSPDSA-N 2 1 385.577 3.786 20 0 GHADMP CCCCn1nc(C)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1Cl ZINC000093734970 912407643 /nfs/dbraw/zinc/40/76/43/912407643.db2.gz RESRTKLPGYLUAH-UHFFFAOYSA-N 2 1 382.980 3.722 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000246167056 879082857 /nfs/dbraw/zinc/08/28/57/879082857.db2.gz FRAQARIVJXIBPO-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1F ZINC000774619880 912449497 /nfs/dbraw/zinc/44/94/97/912449497.db2.gz LCVHVOUXDMJXCH-IBGZPJMESA-N 2 1 377.822 3.936 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246351710 879445726 /nfs/dbraw/zinc/44/57/26/879445726.db2.gz HSNZFJTXIXMWQD-RJGXRXQPSA-N 2 1 384.564 3.747 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000246374733 879473915 /nfs/dbraw/zinc/47/39/15/879473915.db2.gz MDQGJNBLIWLKGF-KCZVDYSFSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000246407607 879523144 /nfs/dbraw/zinc/52/31/44/879523144.db2.gz UNFJIJCHLYGUOJ-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246407607 879523153 /nfs/dbraw/zinc/52/31/53/879523153.db2.gz UNFJIJCHLYGUOJ-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246407607 879523156 /nfs/dbraw/zinc/52/31/56/879523156.db2.gz UNFJIJCHLYGUOJ-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246471787 879593612 /nfs/dbraw/zinc/59/36/12/879593612.db2.gz WUDGCFWSXSQURV-UFYCRDLUSA-N 2 1 387.568 3.533 20 0 GHADMP C[C@@]1(CCCO)CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1 ZINC000538512499 879635818 /nfs/dbraw/zinc/63/58/18/879635818.db2.gz RYFJABGBUMKQGQ-ZEQRLZLVSA-N 2 1 388.596 3.941 20 0 GHADMP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000854224161 879641691 /nfs/dbraw/zinc/64/16/91/879641691.db2.gz XWCZECYKFIGASV-MTNREXPMSA-N 2 1 379.504 3.830 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CN2Cc3ccc(OC)cc3C2=O)CC1)CC(C)C ZINC000790441702 879730023 /nfs/dbraw/zinc/73/00/23/879730023.db2.gz HLJMHNYWMTWQLQ-UHFFFAOYSA-N 2 1 387.568 3.689 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2Cc3ccc(OC)cc3C2=O)CC1)CC(C)C ZINC000790441702 879730034 /nfs/dbraw/zinc/73/00/34/879730034.db2.gz HLJMHNYWMTWQLQ-UHFFFAOYSA-N 2 1 387.568 3.689 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000246720691 879773981 /nfs/dbraw/zinc/77/39/81/879773981.db2.gz VAPDYGWEDJROQL-NWSQWKLXSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000246720691 879773987 /nfs/dbraw/zinc/77/39/87/879773987.db2.gz VAPDYGWEDJROQL-NWSQWKLXSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000246720691 879773989 /nfs/dbraw/zinc/77/39/89/879773989.db2.gz VAPDYGWEDJROQL-NWSQWKLXSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494000023 879804597 /nfs/dbraw/zinc/80/45/97/879804597.db2.gz NWZWAQMBZONCLL-WMZHIEFXSA-N 2 1 377.532 3.675 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246799745 879807071 /nfs/dbraw/zinc/80/70/71/879807071.db2.gz AXUUNRLZJSVTAV-VAMGGRTRSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140150 879838894 /nfs/dbraw/zinc/83/88/94/879838894.db2.gz XSBVHFDJMGIHRX-IVGWJTKZSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001170140150 879838903 /nfs/dbraw/zinc/83/89/03/879838903.db2.gz XSBVHFDJMGIHRX-IVGWJTKZSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001170140150 879838917 /nfs/dbraw/zinc/83/89/17/879838917.db2.gz XSBVHFDJMGIHRX-IVGWJTKZSA-N 2 1 383.580 3.821 20 0 GHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000246996638 879876307 /nfs/dbraw/zinc/87/63/07/879876307.db2.gz KLYFWNZQUAQURN-CYFREDJKSA-N 2 1 394.563 3.674 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000247020033 879886322 /nfs/dbraw/zinc/88/63/22/879886322.db2.gz XXEPGTRXPPBRKI-HNAYVOBHSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000247020033 879886327 /nfs/dbraw/zinc/88/63/27/879886327.db2.gz XXEPGTRXPPBRKI-HNAYVOBHSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000247020033 879886337 /nfs/dbraw/zinc/88/63/37/879886337.db2.gz XXEPGTRXPPBRKI-HNAYVOBHSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000247020033 879886346 /nfs/dbraw/zinc/88/63/46/879886346.db2.gz XXEPGTRXPPBRKI-HNAYVOBHSA-N 2 1 395.469 3.983 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000247129558 879924901 /nfs/dbraw/zinc/92/49/01/879924901.db2.gz VIWIDQICZCQBOB-KRWDZBQOSA-N 2 1 386.367 3.824 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)CCCO2 ZINC000247233338 879949302 /nfs/dbraw/zinc/94/93/02/879949302.db2.gz YKAKLBUYHMUEIV-JPYJTQIMSA-N 2 1 396.531 3.919 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)CCCO2 ZINC000247233338 879949310 /nfs/dbraw/zinc/94/93/10/879949310.db2.gz YKAKLBUYHMUEIV-JPYJTQIMSA-N 2 1 396.531 3.919 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCC[C@@H](C)C1 ZINC000247376768 879984324 /nfs/dbraw/zinc/98/43/24/879984324.db2.gz DYCQGHZPVPYXIS-FTEYMNFISA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247376768 879984337 /nfs/dbraw/zinc/98/43/37/879984337.db2.gz DYCQGHZPVPYXIS-FTEYMNFISA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000247376768 879984348 /nfs/dbraw/zinc/98/43/48/879984348.db2.gz DYCQGHZPVPYXIS-FTEYMNFISA-N 2 1 392.613 3.551 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183152701 880063190 /nfs/dbraw/zinc/06/31/90/880063190.db2.gz OWJPOCCFZWJGNQ-FDFHNCONSA-N 2 1 395.547 3.598 20 0 GHADMP CN(c1ccccc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531597426 880194550 /nfs/dbraw/zinc/19/45/50/880194550.db2.gz OCJYEKZOTXATEG-UHFFFAOYSA-N 3 1 394.607 3.829 20 0 GHADMP CN(c1ccccc1CNCCC[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531597426 880194559 /nfs/dbraw/zinc/19/45/59/880194559.db2.gz OCJYEKZOTXATEG-UHFFFAOYSA-N 2 1 394.607 3.829 20 0 GHADMP CN(c1ccccc1CNCCC[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000531597426 880194566 /nfs/dbraw/zinc/19/45/66/880194566.db2.gz OCJYEKZOTXATEG-UHFFFAOYSA-N 2 1 394.607 3.829 20 0 GHADMP CN(CCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000531597426 880194574 /nfs/dbraw/zinc/19/45/74/880194574.db2.gz OCJYEKZOTXATEG-UHFFFAOYSA-N 2 1 394.607 3.829 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2ccccc2n1 ZINC000531677090 880306102 /nfs/dbraw/zinc/30/61/02/880306102.db2.gz GTLVKNNCTQRADY-LAUBAEHRSA-N 2 1 380.561 3.936 20 0 GHADMP CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000531684894 880317630 /nfs/dbraw/zinc/31/76/30/880317630.db2.gz FJBYPTYENXBIQR-YOEHRIQHSA-N 2 1 382.346 3.630 20 0 GHADMP C[C@H](NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000184750606 880373594 /nfs/dbraw/zinc/37/35/94/880373594.db2.gz GEODHGKCLBBAIM-AQNXPRMDSA-N 2 1 379.548 3.610 20 0 GHADMP CNC(=O)c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453077149 880428823 /nfs/dbraw/zinc/42/88/23/880428823.db2.gz WHXASPCAHSHNAU-YTFSRNRJSA-N 2 1 377.532 3.579 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453077149 880428827 /nfs/dbraw/zinc/42/88/27/880428827.db2.gz WHXASPCAHSHNAU-YTFSRNRJSA-N 2 1 377.532 3.579 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453077149 880428840 /nfs/dbraw/zinc/42/88/40/880428840.db2.gz WHXASPCAHSHNAU-YTFSRNRJSA-N 2 1 377.532 3.579 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453084294 880441485 /nfs/dbraw/zinc/44/14/85/880441485.db2.gz DJHQSDMMSAKAPG-WXFUMESZSA-N 3 1 385.596 3.520 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453107267 880474850 /nfs/dbraw/zinc/47/48/50/880474850.db2.gz ICRZAMGIIDPWBL-VXNXHJTFSA-N 2 1 399.623 3.909 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453107267 880474854 /nfs/dbraw/zinc/47/48/54/880474854.db2.gz ICRZAMGIIDPWBL-VXNXHJTFSA-N 2 1 399.623 3.909 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453107267 880474862 /nfs/dbraw/zinc/47/48/62/880474862.db2.gz ICRZAMGIIDPWBL-VXNXHJTFSA-N 2 1 399.623 3.909 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453110930 880480515 /nfs/dbraw/zinc/48/05/15/880480515.db2.gz PAZKJCBOYSDPCX-LFBFJMOVSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453110930 880480520 /nfs/dbraw/zinc/48/05/20/880480520.db2.gz PAZKJCBOYSDPCX-LFBFJMOVSA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453110930 880480526 /nfs/dbraw/zinc/48/05/26/880480526.db2.gz PAZKJCBOYSDPCX-LFBFJMOVSA-N 3 1 397.607 3.520 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(N)=O ZINC000453291752 880738443 /nfs/dbraw/zinc/73/84/43/880738443.db2.gz VOSUNDDGPJJQFB-CCDCCJRHSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(N)=O ZINC000453291752 880738451 /nfs/dbraw/zinc/73/84/51/880738451.db2.gz VOSUNDDGPJJQFB-CCDCCJRHSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(N)=O ZINC000453291752 880738461 /nfs/dbraw/zinc/73/84/61/880738461.db2.gz VOSUNDDGPJJQFB-CCDCCJRHSA-N 2 1 383.580 3.796 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)c2cccs2)CC1 ZINC000531932472 880783687 /nfs/dbraw/zinc/78/36/87/880783687.db2.gz NFQOBHBDGXVUKO-OALUTQOASA-N 2 1 389.540 3.679 20 0 GHADMP CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000531941264 880799469 /nfs/dbraw/zinc/79/94/69/880799469.db2.gz YEJQWWZYVRCDJP-GOEBONIOSA-N 2 1 387.446 3.766 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429529837 880968081 /nfs/dbraw/zinc/96/80/81/880968081.db2.gz SOQUTQHWDRWDLG-QHCPKHFHSA-N 2 1 397.538 3.642 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000132317465 881084479 /nfs/dbraw/zinc/08/44/79/881084479.db2.gz DJDYBJIVYFNKID-HXUWFJFHSA-N 3 1 381.564 3.942 20 0 GHADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc(N4CCCC4)nc2)CC3)cc1 ZINC000537622735 881187870 /nfs/dbraw/zinc/18/78/70/881187870.db2.gz INBLOXBUKMSWRZ-UHFFFAOYSA-N 2 1 391.563 3.565 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCNc2ccc4ccccc4n2)C3)cc1 ZINC000499157455 881290038 /nfs/dbraw/zinc/29/00/38/881290038.db2.gz PTBICHILHMBWAW-WBDAEOGXSA-N 2 1 386.543 3.854 20 0 GHADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499149688 881302507 /nfs/dbraw/zinc/30/25/07/881302507.db2.gz HAHZZGPHMXUGMA-NUNAXRQHSA-N 2 1 377.532 3.510 20 0 GHADMP C[NH+](C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000061637077 883136185 /nfs/dbraw/zinc/13/61/85/883136185.db2.gz YARIAWUYWRPANV-NRFANRHFSA-N 2 1 383.561 3.519 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694590 883205638 /nfs/dbraw/zinc/20/56/38/883205638.db2.gz OCESKACOIWVAEY-LADGPHEKSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694590 883205657 /nfs/dbraw/zinc/20/56/57/883205657.db2.gz OCESKACOIWVAEY-LADGPHEKSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694590 883205675 /nfs/dbraw/zinc/20/56/75/883205675.db2.gz OCESKACOIWVAEY-LADGPHEKSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694590 883205691 /nfs/dbraw/zinc/20/56/91/883205691.db2.gz OCESKACOIWVAEY-LADGPHEKSA-N 2 1 387.531 3.754 20 0 GHADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2nccn2c1 ZINC000666131494 883448724 /nfs/dbraw/zinc/44/87/24/883448724.db2.gz DTIXDIXSKLWWOY-LJQANCHMSA-N 2 1 389.503 3.758 20 0 GHADMP Cc1ccsc1CNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476971126 883503116 /nfs/dbraw/zinc/50/31/16/883503116.db2.gz JEMBYCMZPSQEFX-GOSISDBHSA-N 2 1 377.598 3.649 20 0 GHADMP Cc1ccsc1CNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476971126 883503122 /nfs/dbraw/zinc/50/31/22/883503122.db2.gz JEMBYCMZPSQEFX-GOSISDBHSA-N 2 1 377.598 3.649 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000551270087 883579769 /nfs/dbraw/zinc/57/97/69/883579769.db2.gz KSHNCTBIJDYNPI-JOCHJYFZSA-N 2 1 384.520 3.516 20 0 GHADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000859118968 883600149 /nfs/dbraw/zinc/60/01/49/883600149.db2.gz UHWPBRSVBZRREY-OAQYLSRUSA-N 2 1 387.487 3.508 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194035787 883643711 /nfs/dbraw/zinc/64/37/11/883643711.db2.gz WCNAKGSMUXJAQI-NKELODKYSA-N 2 1 381.358 3.522 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000079027855 883650552 /nfs/dbraw/zinc/65/05/52/883650552.db2.gz CYVIITSYNLYBLY-HSZRJFAPSA-N 2 1 395.522 3.775 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000079027855 883650561 /nfs/dbraw/zinc/65/05/61/883650561.db2.gz CYVIITSYNLYBLY-HSZRJFAPSA-N 2 1 395.522 3.775 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213874 883666969 /nfs/dbraw/zinc/66/69/69/883666969.db2.gz KPCJJRHCQLQJNC-UHFFFAOYSA-N 2 1 389.927 3.871 20 0 GHADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213760 883667478 /nfs/dbraw/zinc/66/74/78/883667478.db2.gz IYYQDOKLDMITGY-AWEZNQCLSA-N 2 1 377.891 4.000 20 0 GHADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213760 883667492 /nfs/dbraw/zinc/66/74/92/883667492.db2.gz IYYQDOKLDMITGY-AWEZNQCLSA-N 2 1 377.891 4.000 20 0 GHADMP Cc1ccccc1SC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000859217443 883671146 /nfs/dbraw/zinc/67/11/46/883671146.db2.gz DRBKEBBAKHJOTJ-GIVPXCGWSA-N 2 1 375.626 3.681 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216145 883671379 /nfs/dbraw/zinc/67/13/79/883671379.db2.gz XRYFSMILTMQADY-OAHLLOKOSA-N 2 1 391.462 3.809 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216145 883671388 /nfs/dbraw/zinc/67/13/88/883671388.db2.gz XRYFSMILTMQADY-OAHLLOKOSA-N 2 1 391.462 3.809 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@H]1c1ncc[nH]1)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000859223139 883674219 /nfs/dbraw/zinc/67/42/19/883674219.db2.gz QUUZYVVMCAOCMD-ROUUACIJSA-N 2 1 386.620 3.815 20 0 GHADMP Clc1ccc(Cl)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1Cl ZINC000666978948 883692114 /nfs/dbraw/zinc/69/21/14/883692114.db2.gz MWEGBSOZIPJMPG-UHFFFAOYSA-N 2 1 376.759 3.953 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(C)c2C)CC1 ZINC000428709799 884211248 /nfs/dbraw/zinc/21/12/48/884211248.db2.gz MYJVHNPXLLATTI-UHFFFAOYSA-N 2 1 393.575 3.824 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(C)c2C)CC1 ZINC000428709799 884211269 /nfs/dbraw/zinc/21/12/69/884211269.db2.gz MYJVHNPXLLATTI-UHFFFAOYSA-N 2 1 393.575 3.824 20 0 GHADMP COc1ccccc1-c1nc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)no1 ZINC000192338803 884252510 /nfs/dbraw/zinc/25/25/10/884252510.db2.gz BAIZCJZYDZOVPQ-UHFFFAOYSA-N 2 1 395.507 3.910 20 0 GHADMP C[NH+](C)CCOC1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000476210774 884252975 /nfs/dbraw/zinc/25/29/75/884252975.db2.gz YYTMQXSIENSXRC-UHFFFAOYSA-N 2 1 378.314 3.544 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)c1 ZINC001126674285 884538899 /nfs/dbraw/zinc/53/88/99/884538899.db2.gz VXOXWZPOWGITNI-PKTZIBPZSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001126674285 884538911 /nfs/dbraw/zinc/53/89/11/884538911.db2.gz VXOXWZPOWGITNI-PKTZIBPZSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001126674285 884538927 /nfs/dbraw/zinc/53/89/27/884538927.db2.gz VXOXWZPOWGITNI-PKTZIBPZSA-N 2 1 383.580 3.730 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(I)cc1 ZINC000610799532 885252051 /nfs/dbraw/zinc/25/20/51/885252051.db2.gz PFKSGBGISWLGHC-BBWFWOEESA-N 2 1 384.305 3.959 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)cn2)n1 ZINC000550624333 885596265 /nfs/dbraw/zinc/59/62/65/885596265.db2.gz POEOGLXRHVWASH-YADHBBJMSA-N 2 1 375.520 3.809 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)cn2)n1 ZINC000550624333 885596279 /nfs/dbraw/zinc/59/62/79/885596279.db2.gz POEOGLXRHVWASH-YADHBBJMSA-N 2 1 375.520 3.809 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc(C2CC2)n1 ZINC000556663139 885833260 /nfs/dbraw/zinc/83/32/60/885833260.db2.gz GZYSQXONEWRSIA-UHFFFAOYSA-N 2 1 399.583 3.619 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506341 885840048 /nfs/dbraw/zinc/84/00/48/885840048.db2.gz MBOQOMKICUXYNJ-RBUKOAKNSA-N 2 1 378.520 3.906 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506339 885841112 /nfs/dbraw/zinc/84/11/12/885841112.db2.gz MBOQOMKICUXYNJ-OALUTQOASA-N 2 1 378.520 3.906 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC000498859984 885959730 /nfs/dbraw/zinc/95/97/30/885959730.db2.gz YLHRMUUOXSGCLZ-ICSRJNTNSA-N 2 1 380.960 3.524 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC000498859984 885959739 /nfs/dbraw/zinc/95/97/39/885959739.db2.gz YLHRMUUOXSGCLZ-ICSRJNTNSA-N 2 1 380.960 3.524 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001168489056 886034714 /nfs/dbraw/zinc/03/47/14/886034714.db2.gz VUVKRPQSOAJWCQ-CVDCTZTESA-N 2 1 397.538 3.907 20 0 GHADMP CC1(C)C(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[C@@H]1c1ccncc1 ZINC000808169668 886102269 /nfs/dbraw/zinc/10/22/69/886102269.db2.gz DBQYUPGTELASOL-OAQYLSRUSA-N 2 1 384.568 3.537 20 0 GHADMP C[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000532587179 886188556 /nfs/dbraw/zinc/18/85/56/886188556.db2.gz XHUOYKVOTOVGLN-GOSISDBHSA-N 2 1 395.572 3.621 20 0 GHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000556868716 886416353 /nfs/dbraw/zinc/41/63/53/886416353.db2.gz BJDNKTXMHPKLON-JXALWOEJSA-N 2 1 397.563 3.853 20 0 GHADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000556885796 886454574 /nfs/dbraw/zinc/45/45/74/886454574.db2.gz IEBZORZGAGPPLB-ZHNGQKSSSA-N 2 1 387.568 3.505 20 0 GHADMP c1cn(Cc2ccccc2)c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000132153381 886705821 /nfs/dbraw/zinc/70/58/21/886705821.db2.gz VITPNPYCYQMMHB-UHFFFAOYSA-N 2 1 388.559 3.771 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119577532 886764303 /nfs/dbraw/zinc/76/43/03/886764303.db2.gz DWKOQYXDNDAYEN-PZJWPPBQSA-N 2 1 388.600 3.516 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000537621410 886785050 /nfs/dbraw/zinc/78/50/50/886785050.db2.gz OKQODCGFMRDTOU-UHFFFAOYSA-N 2 1 395.595 3.705 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1ccccc1 ZINC000537621410 886785064 /nfs/dbraw/zinc/78/50/64/886785064.db2.gz OKQODCGFMRDTOU-UHFFFAOYSA-N 3 1 395.595 3.705 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]nc1-c1ccccc1 ZINC000537621410 886785076 /nfs/dbraw/zinc/78/50/76/886785076.db2.gz OKQODCGFMRDTOU-UHFFFAOYSA-N 3 1 395.595 3.705 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000236862927 886890956 /nfs/dbraw/zinc/89/09/56/886890956.db2.gz HFBOGAWTZJZFSN-QFBILLFUSA-N 2 1 383.374 3.984 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237123272 886912679 /nfs/dbraw/zinc/91/26/79/886912679.db2.gz PMAXFVDQWHJTIV-AEFFLSMTSA-N 2 1 397.485 3.866 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[N@@H+]5CCCC[C@@H]45)cc3)nc12 ZINC000237894850 887004389 /nfs/dbraw/zinc/00/43/89/887004389.db2.gz GIEFYGXFPSDJGO-PKTZIBPZSA-N 2 1 390.531 3.938 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[N@H+]5CCCC[C@@H]45)cc3)nc12 ZINC000237894850 887004397 /nfs/dbraw/zinc/00/43/97/887004397.db2.gz GIEFYGXFPSDJGO-PKTZIBPZSA-N 2 1 390.531 3.938 20 0 GHADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001170569248 887036103 /nfs/dbraw/zinc/03/61/03/887036103.db2.gz HTQOVZLJLFXONO-CRAIPNDOSA-N 2 1 384.442 3.601 20 0 GHADMP CCN(c1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1)C(C)C ZINC000915689637 887308247 /nfs/dbraw/zinc/30/82/47/887308247.db2.gz WXVGPDLUDRJZLY-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459350118 887559978 /nfs/dbraw/zinc/55/99/78/887559978.db2.gz YDVSRHWXEGHEMM-QGZVFWFLSA-N 2 1 376.570 3.514 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629574 887630186 /nfs/dbraw/zinc/63/01/86/887630186.db2.gz VENNJZYAMVSMJU-SJLPKXTDSA-N 2 1 387.549 3.579 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000465513299 887652960 /nfs/dbraw/zinc/65/29/60/887652960.db2.gz IAJFOBQTZGQWPV-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000747580439 887993299 /nfs/dbraw/zinc/99/32/99/887993299.db2.gz JHMZDYSSWQMRMQ-QPPBQGQZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1CCCCC1 ZINC000747580442 887993563 /nfs/dbraw/zinc/99/35/63/887993563.db2.gz JHMZDYSSWQMRMQ-ZJSXRUAMSA-N 2 1 398.595 3.559 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000810145060 888212325 /nfs/dbraw/zinc/21/23/25/888212325.db2.gz QNTNYGMBUKLZNQ-AGWAZZAUSA-N 2 1 380.479 3.924 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865416042 888332404 /nfs/dbraw/zinc/33/24/04/888332404.db2.gz SGNCMZLFUVMCOJ-INIZCTEOSA-N 2 1 377.533 3.568 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000810650037 888746494 /nfs/dbraw/zinc/74/64/94/888746494.db2.gz YXVFGVBYKKYSOR-KKLQWCBXSA-N 2 1 389.559 3.616 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000810650037 888746497 /nfs/dbraw/zinc/74/64/97/888746497.db2.gz YXVFGVBYKKYSOR-KKLQWCBXSA-N 2 1 389.559 3.616 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000644526919 913340466 /nfs/dbraw/zinc/34/04/66/913340466.db2.gz HYKJFXYZZVPIPX-VWNXMTODSA-N 2 1 382.548 3.683 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988660 889471750 /nfs/dbraw/zinc/47/17/50/889471750.db2.gz SIZZFOLRAQBDGT-WMLDXEAASA-N 2 1 382.346 3.582 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988660 889471765 /nfs/dbraw/zinc/47/17/65/889471765.db2.gz SIZZFOLRAQBDGT-WMLDXEAASA-N 2 1 382.346 3.582 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988660 889471777 /nfs/dbraw/zinc/47/17/77/889471777.db2.gz SIZZFOLRAQBDGT-WMLDXEAASA-N 2 1 382.346 3.582 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(SCC(F)F)cc1 ZINC000124330837 889592721 /nfs/dbraw/zinc/59/27/21/889592721.db2.gz HZEYQNCPXKDUAM-INIZCTEOSA-N 2 1 385.568 3.968 20 0 GHADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533055161 889639602 /nfs/dbraw/zinc/63/96/02/889639602.db2.gz HPMJDTVPVLSQCH-LJQANCHMSA-N 2 1 385.596 3.921 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1)C2 ZINC001168516710 889677573 /nfs/dbraw/zinc/67/75/73/889677573.db2.gz ARRQCBRTPXXMFS-ARKGTOAJSA-N 2 1 391.478 3.532 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 ZINC001168516856 889722591 /nfs/dbraw/zinc/72/25/91/889722591.db2.gz BPZZIBCVEYERET-OAGGEKHMSA-N 2 1 393.494 3.638 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000125204249 889908725 /nfs/dbraw/zinc/90/87/25/889908725.db2.gz JYPLDWPGSLBNOG-HXUWFJFHSA-N 2 1 378.564 3.861 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000454927643 890004599 /nfs/dbraw/zinc/00/45/99/890004599.db2.gz OWTIYMOSJLCPDZ-PXWCZTGZSA-N 2 1 392.975 3.503 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000465537040 890028532 /nfs/dbraw/zinc/02/85/32/890028532.db2.gz GHUGCLQTSVWMHP-NNLJWKLDSA-N 2 1 398.595 3.543 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000125954039 890284492 /nfs/dbraw/zinc/28/44/92/890284492.db2.gz LXNMDFJQESTDGB-JKSUJKDBSA-N 2 1 396.373 3.876 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCCCCC[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000455110965 890362848 /nfs/dbraw/zinc/36/28/48/890362848.db2.gz GMYBIPMLBDOLNU-ICSRJNTNSA-N 2 1 392.613 3.696 20 0 GHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCC2 ZINC000126710521 890658331 /nfs/dbraw/zinc/65/83/31/890658331.db2.gz VEBKRJFYOLNPHA-FDDCHVKYSA-N 2 1 384.564 3.870 20 0 GHADMP FC(F)(F)c1coc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000872145149 891182580 /nfs/dbraw/zinc/18/25/80/891182580.db2.gz NEAWASQXAUGWLG-UHFFFAOYSA-N 2 1 382.430 3.868 20 0 GHADMP FC(F)(F)c1coc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000872145149 891182587 /nfs/dbraw/zinc/18/25/87/891182587.db2.gz NEAWASQXAUGWLG-UHFFFAOYSA-N 2 1 382.430 3.868 20 0 GHADMP CCOc1cccc(F)c1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000873051531 891444585 /nfs/dbraw/zinc/44/45/85/891444585.db2.gz LFCSBCPYNLKPCF-UHFFFAOYSA-N 2 1 375.488 3.831 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000497526092 891794980 /nfs/dbraw/zinc/79/49/80/891794980.db2.gz QRONHBGIHVUKMB-LVCYWYKZSA-N 2 1 388.552 3.507 20 0 GHADMP O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000261613495 892065220 /nfs/dbraw/zinc/06/52/20/892065220.db2.gz CGCZESSNPZCCLS-UHFFFAOYSA-N 2 1 382.483 3.827 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000261938834 892170528 /nfs/dbraw/zinc/17/05/28/892170528.db2.gz DMSSWOMIDQGCDZ-KRWDZBQOSA-N 2 1 378.339 3.758 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000261938834 892170535 /nfs/dbraw/zinc/17/05/35/892170535.db2.gz DMSSWOMIDQGCDZ-KRWDZBQOSA-N 2 1 378.339 3.758 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1)C1CC1 ZINC000261956402 892177416 /nfs/dbraw/zinc/17/74/16/892177416.db2.gz MAFWDLWBJBDRKV-QFIPXVFZSA-N 2 1 381.495 3.597 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1)C1CC1 ZINC000261956402 892177419 /nfs/dbraw/zinc/17/74/19/892177419.db2.gz MAFWDLWBJBDRKV-QFIPXVFZSA-N 2 1 381.495 3.597 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH2+][C@H](C)c1ccccc1 ZINC000497685501 892192721 /nfs/dbraw/zinc/19/27/21/892192721.db2.gz FNPOEYPNPUAKDZ-GIVPXCGWSA-N 2 1 386.584 3.632 20 0 GHADMP CCC[C@](C)([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497907800 892708309 /nfs/dbraw/zinc/70/83/09/892708309.db2.gz LSNNLFCCBLLBDA-IBGZPJMESA-N 2 1 385.474 3.646 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753371 892942207 /nfs/dbraw/zinc/94/22/07/892942207.db2.gz PCNCHUJSZIHLBZ-KJJMTIBFSA-N 2 1 383.580 3.819 20 0 GHADMP CCC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2ccccn21 ZINC000129102209 893033301 /nfs/dbraw/zinc/03/33/01/893033301.db2.gz BLEYYRRACYBAMA-XLIONFOSSA-N 2 1 381.524 3.862 20 0 GHADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498073156 893114315 /nfs/dbraw/zinc/11/43/15/893114315.db2.gz HLXJBZYOQYQCRM-SZMVWBNQSA-N 2 1 385.474 3.722 20 0 GHADMP CCC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000876738716 893305991 /nfs/dbraw/zinc/30/59/91/893305991.db2.gz KCNLYRRGAOKWRM-UHFFFAOYSA-N 2 1 395.507 3.821 20 0 GHADMP CCC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000876738716 893306010 /nfs/dbraw/zinc/30/60/10/893306010.db2.gz KCNLYRRGAOKWRM-UHFFFAOYSA-N 2 1 395.507 3.821 20 0 GHADMP O=C(/C=C/[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000876757975 893316256 /nfs/dbraw/zinc/31/62/56/893316256.db2.gz GZGPLQWYVNWKMK-CSPWOOARSA-N 2 1 396.362 3.630 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509696469 893329925 /nfs/dbraw/zinc/32/99/25/893329925.db2.gz HYQXEFSXUWHHMQ-ZEQRLZLVSA-N 2 1 398.639 3.785 20 0 GHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000170702363 893393893 /nfs/dbraw/zinc/39/38/93/893393893.db2.gz OFDSMHBCNDKYSP-NRFANRHFSA-N 2 1 395.547 3.615 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000877008364 893431502 /nfs/dbraw/zinc/43/15/02/893431502.db2.gz JXHNZRIDNSWNIG-HAWMADMCSA-N 2 1 385.489 3.816 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877033858 893449196 /nfs/dbraw/zinc/44/91/96/893449196.db2.gz PRCOHPPGMKPQBI-WDJPJFJCSA-N 2 1 396.531 3.695 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877033858 893449205 /nfs/dbraw/zinc/44/92/05/893449205.db2.gz PRCOHPPGMKPQBI-WDJPJFJCSA-N 2 1 396.531 3.695 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877041740 893454274 /nfs/dbraw/zinc/45/42/74/893454274.db2.gz NCVWNDPKCFSCCC-IRLDBZIGSA-N 2 1 385.552 3.954 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000877041740 893454286 /nfs/dbraw/zinc/45/42/86/893454286.db2.gz NCVWNDPKCFSCCC-IRLDBZIGSA-N 2 1 385.552 3.954 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCCC1)CC2 ZINC000563243477 893521648 /nfs/dbraw/zinc/52/16/48/893521648.db2.gz QURVGKYAAWSWJX-XLIONFOSSA-N 2 1 380.536 3.534 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1 ZINC000536709269 893615106 /nfs/dbraw/zinc/61/51/06/893615106.db2.gz GMTCQSPGEHIMAP-UHFFFAOYSA-N 2 1 393.601 3.545 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711513 893619236 /nfs/dbraw/zinc/61/92/36/893619236.db2.gz WLZDUMIKRUMRQT-XMMPIXPASA-N 2 1 393.575 3.963 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)CC1)CC1CC1 ZINC000536736204 893697566 /nfs/dbraw/zinc/69/75/66/893697566.db2.gz CYVBMWDILZZURV-MRXNPFEDSA-N 2 1 392.613 3.921 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)CC1)CC1CC1 ZINC000536736204 893697572 /nfs/dbraw/zinc/69/75/72/893697572.db2.gz CYVBMWDILZZURV-MRXNPFEDSA-N 2 1 392.613 3.921 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1)CC1CC1 ZINC000536737876 893702722 /nfs/dbraw/zinc/70/27/22/893702722.db2.gz XWYKDGNNHNEISE-UHFFFAOYSA-N 2 1 397.563 3.507 20 0 GHADMP COCc1noc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459526519 893730785 /nfs/dbraw/zinc/73/07/85/893730785.db2.gz OOHFFHIPXHPIRI-OAQYLSRUSA-N 2 1 398.551 3.873 20 0 GHADMP C[N@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)CCCN1CC[NH+](C)CC1 ZINC000459562279 893789070 /nfs/dbraw/zinc/78/90/70/893789070.db2.gz PJVWBULBPIFTBI-POHAHGRESA-N 2 1 393.575 3.848 20 0 GHADMP CCN(Cc1c(F)cccc1F)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000563715328 894098331 /nfs/dbraw/zinc/09/83/31/894098331.db2.gz IQFMKHHYCWTRTE-UHFFFAOYSA-N 2 1 393.522 3.510 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)C(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000878445385 894297793 /nfs/dbraw/zinc/29/77/93/894297793.db2.gz GIIUOWAMPFLFCT-AOIWGVFYSA-N 2 1 395.975 3.702 20 0 GHADMP CC[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000537093256 894332758 /nfs/dbraw/zinc/33/27/58/894332758.db2.gz FDIGHMGFZQZNBM-SELNLUPBSA-N 2 1 384.568 3.670 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1c2ccccc2CCc2ccccc21 ZINC000563957779 894372424 /nfs/dbraw/zinc/37/24/24/894372424.db2.gz SKIYSLATAIDQFB-VXKWHMMOSA-N 2 1 389.543 3.771 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001135341521 894385663 /nfs/dbraw/zinc/38/56/63/894385663.db2.gz AURPHOKFIHSJSV-XMMPIXPASA-N 2 1 391.559 3.519 20 0 GHADMP CCc1ccc(CN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C2CC2)cc1 ZINC000563973064 894388989 /nfs/dbraw/zinc/38/89/89/894388989.db2.gz ZFPULXPWLOTXDJ-UHFFFAOYSA-N 2 1 397.607 3.936 20 0 GHADMP CC[N@@H+](Cc1cnn(C)c1Cl)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000816509814 894887795 /nfs/dbraw/zinc/88/77/95/894887795.db2.gz CSPQAJSVTBCXHD-UHFFFAOYSA-N 2 1 390.963 3.786 20 0 GHADMP CCN(Cc1cnn(C)c1Cl)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000816509814 894887815 /nfs/dbraw/zinc/88/78/15/894887815.db2.gz CSPQAJSVTBCXHD-UHFFFAOYSA-N 2 1 390.963 3.786 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544108 894913203 /nfs/dbraw/zinc/91/32/03/894913203.db2.gz XPWDMFXEQQCJGC-DLBZAZTESA-N 2 1 393.597 3.805 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544108 894913215 /nfs/dbraw/zinc/91/32/15/894913215.db2.gz XPWDMFXEQQCJGC-DLBZAZTESA-N 2 1 393.597 3.805 20 0 GHADMP COC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000564424133 894966667 /nfs/dbraw/zinc/96/66/67/894966667.db2.gz PRCWJABXURYYDV-OALUTQOASA-N 2 1 393.984 3.667 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000325473801 895027845 /nfs/dbraw/zinc/02/78/45/895027845.db2.gz GKVOUBRBZRJAGX-HOTGVXAUSA-N 2 1 397.357 3.963 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000325473801 895027861 /nfs/dbraw/zinc/02/78/61/895027861.db2.gz GKVOUBRBZRJAGX-HOTGVXAUSA-N 2 1 397.357 3.963 20 0 GHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000564586294 895100450 /nfs/dbraw/zinc/10/04/50/895100450.db2.gz QTOMWEBBOJTZER-GOSISDBHSA-N 2 1 389.559 3.932 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000543763027 913954022 /nfs/dbraw/zinc/95/40/22/913954022.db2.gz XBOUQTOBDJPMIN-NNXSRULWSA-N 2 1 394.538 3.690 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000565193260 895452259 /nfs/dbraw/zinc/45/22/59/895452259.db2.gz XLCRKGHHEVHECJ-GMAHTHKFSA-N 2 1 397.607 3.710 20 0 GHADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275109 895460013 /nfs/dbraw/zinc/46/00/13/895460013.db2.gz WBDYPRGQKPQKIC-DNQXCXABSA-N 2 1 380.532 3.607 20 0 GHADMP O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275109 895460027 /nfs/dbraw/zinc/46/00/27/895460027.db2.gz WBDYPRGQKPQKIC-DNQXCXABSA-N 2 1 380.532 3.607 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3N(C)C(C)C)CC2)CC1 ZINC000565216160 895466426 /nfs/dbraw/zinc/46/64/26/895466426.db2.gz WLBUJDFRWOIIPC-UHFFFAOYSA-N 2 1 386.584 3.666 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC000817293788 895467203 /nfs/dbraw/zinc/46/72/03/895467203.db2.gz SFRVZENRUSDCQV-SCTDSRPQSA-N 2 1 378.561 3.843 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC000817293788 895467209 /nfs/dbraw/zinc/46/72/09/895467209.db2.gz SFRVZENRUSDCQV-SCTDSRPQSA-N 2 1 378.561 3.843 20 0 GHADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135517 895533741 /nfs/dbraw/zinc/53/37/41/895533741.db2.gz WQLXNLAUCWPGLQ-SFTDATJTSA-N 2 1 379.504 3.976 20 0 GHADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135516 895534432 /nfs/dbraw/zinc/53/44/32/895534432.db2.gz WQLXNLAUCWPGLQ-RTWAWAEBSA-N 2 1 379.504 3.976 20 0 GHADMP CN(CCC[N@H+](C)Cc1coc(-c2ccccc2C(F)(F)F)n1)CC[NH+](C)C ZINC001170864588 895546941 /nfs/dbraw/zinc/54/69/41/895546941.db2.gz ZOWSNJPEBQRCBS-UHFFFAOYSA-N 2 1 398.473 3.676 20 0 GHADMP CN(CCC[N@@H+](C)Cc1coc(-c2ccccc2C(F)(F)F)n1)CC[NH+](C)C ZINC001170864588 895546954 /nfs/dbraw/zinc/54/69/54/895546954.db2.gz ZOWSNJPEBQRCBS-UHFFFAOYSA-N 2 1 398.473 3.676 20 0 GHADMP Cc1csc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001137156865 895772301 /nfs/dbraw/zinc/77/23/01/895772301.db2.gz BCTKXOOSNNSZIK-UHFFFAOYSA-N 2 1 397.588 3.613 20 0 GHADMP CN(CC[N@@H+](C)CC1=Cc2cc(Cl)cc(Cl)c2OC1)C1CC[NH+](C)CC1 ZINC000565767879 895863584 /nfs/dbraw/zinc/86/35/84/895863584.db2.gz YDSAVJLTQBBGHQ-UHFFFAOYSA-N 2 1 398.378 3.727 20 0 GHADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000565780506 895872293 /nfs/dbraw/zinc/87/22/93/895872293.db2.gz YQIHTLBIDRDFNS-VQTJNVASSA-N 2 1 377.315 3.729 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902192 895956307 /nfs/dbraw/zinc/95/63/07/895956307.db2.gz KPCZIZXWIBQAMM-LQGLAIQGSA-N 2 1 390.527 3.847 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000566012648 896046999 /nfs/dbraw/zinc/04/69/99/896046999.db2.gz MTKGAKQMXLIWMG-PDXXHEQOSA-N 2 1 379.548 3.739 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000566042571 896067249 /nfs/dbraw/zinc/06/72/49/896067249.db2.gz OLXPFDFFKGXEFL-GOTSBHOMSA-N 2 1 398.595 3.559 20 0 GHADMP O=S(=O)(CC[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000566108395 896113850 /nfs/dbraw/zinc/11/38/50/896113850.db2.gz AAOFZPKMRAFQTN-UHFFFAOYSA-N 2 1 386.561 3.626 20 0 GHADMP Cc1ccc(Oc2ccccc2NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000566241997 896194949 /nfs/dbraw/zinc/19/49/49/896194949.db2.gz BFBGSXLMGQKOOI-KDURUIRLSA-N 2 1 379.504 3.657 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000566388284 896281649 /nfs/dbraw/zinc/28/16/49/896281649.db2.gz LAKKWKGSXSTITG-GBXCKJPGSA-N 2 1 382.548 3.992 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000566388284 896281659 /nfs/dbraw/zinc/28/16/59/896281659.db2.gz LAKKWKGSXSTITG-GBXCKJPGSA-N 2 1 382.548 3.992 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)c2)CCO1 ZINC000818974778 896331741 /nfs/dbraw/zinc/33/17/41/896331741.db2.gz FKAMTVRPYCGLTE-BTYIYWSLSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)c2)CCO1 ZINC000818974778 896331755 /nfs/dbraw/zinc/33/17/55/896331755.db2.gz FKAMTVRPYCGLTE-BTYIYWSLSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC1 ZINC000626139258 896405011 /nfs/dbraw/zinc/40/50/11/896405011.db2.gz CMFOTVUAMXQKOG-NKKJXINNSA-N 2 1 397.607 3.835 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626139258 896405020 /nfs/dbraw/zinc/40/50/20/896405020.db2.gz CMFOTVUAMXQKOG-NKKJXINNSA-N 2 1 397.607 3.835 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626139258 896405029 /nfs/dbraw/zinc/40/50/29/896405029.db2.gz CMFOTVUAMXQKOG-NKKJXINNSA-N 2 1 397.607 3.835 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819275153 896561025 /nfs/dbraw/zinc/56/10/25/896561025.db2.gz RJRWRRPYYKWFGM-FXAWDEMLSA-N 2 1 378.438 3.851 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000819330088 896572134 /nfs/dbraw/zinc/57/21/34/896572134.db2.gz YQJZSAHMZIGMSI-NHYNNZIHSA-N 2 1 394.559 3.910 20 0 GHADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333094 896577534 /nfs/dbraw/zinc/57/75/34/896577534.db2.gz GDNUAECTCZBPQW-UPVQGACJSA-N 2 1 394.559 3.547 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3ccsc3)CC2)CC1 ZINC000566923508 896700539 /nfs/dbraw/zinc/70/05/39/896700539.db2.gz INJZPYBRDPVXJZ-FQEVSTJZSA-N 2 1 375.582 3.608 20 0 GHADMP Cc1cc(C)c(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(C)c1 ZINC000826263236 896750629 /nfs/dbraw/zinc/75/06/29/896750629.db2.gz RAKWAWZHFQGECY-UHFFFAOYSA-N 2 1 390.535 3.546 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000567033217 896816031 /nfs/dbraw/zinc/81/60/31/896816031.db2.gz QIKICVUQNOIUQA-HNNXBMFYSA-N 2 1 379.346 3.841 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000289277288 914122624 /nfs/dbraw/zinc/12/26/24/914122624.db2.gz OHQCAJHNDUPJMY-UHFFFAOYSA-N 2 1 387.549 3.854 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000882892317 897081001 /nfs/dbraw/zinc/08/10/01/897081001.db2.gz TYIAOFQIHAYXRS-QGZVFWFLSA-N 2 1 384.593 3.874 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000882892317 897081017 /nfs/dbraw/zinc/08/10/17/897081017.db2.gz TYIAOFQIHAYXRS-QGZVFWFLSA-N 2 1 384.593 3.874 20 0 GHADMP [NH3+][C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc21 ZINC000567579939 897267822 /nfs/dbraw/zinc/26/78/22/897267822.db2.gz ZCCMPEQCDUCMAJ-ZTCOLXNVSA-N 2 1 391.559 3.650 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(C(F)(F)F)c1 ZINC000567592594 897278363 /nfs/dbraw/zinc/27/83/63/897278363.db2.gz XJVFLMYEDBCQNW-KDOFPFPSSA-N 2 1 396.457 3.645 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000568009280 897532253 /nfs/dbraw/zinc/53/22/53/897532253.db2.gz QGSZCZVDFBOXCZ-KKSFZXQISA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000568009280 897532264 /nfs/dbraw/zinc/53/22/64/897532264.db2.gz QGSZCZVDFBOXCZ-KKSFZXQISA-N 2 1 381.524 3.558 20 0 GHADMP NC(=O)c1cccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000820815816 897542769 /nfs/dbraw/zinc/54/27/69/897542769.db2.gz WFIRNRFYGKTURW-NOTZXAQLSA-N 2 1 377.532 3.503 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000568164278 897648591 /nfs/dbraw/zinc/64/85/91/897648591.db2.gz ORDKSVCVZCKJJY-IBGZPJMESA-N 2 1 375.900 3.522 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568630481 897996098 /nfs/dbraw/zinc/99/60/98/897996098.db2.gz WHNQAFVNQYXQSG-GMAHTHKFSA-N 2 1 380.532 3.906 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568630481 897996108 /nfs/dbraw/zinc/99/61/08/897996108.db2.gz WHNQAFVNQYXQSG-GMAHTHKFSA-N 2 1 380.532 3.906 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(Cl)nc3)CC2)c1C ZINC000104074453 898124548 /nfs/dbraw/zinc/12/45/48/898124548.db2.gz UVCXNQQFAOYLCV-UHFFFAOYSA-N 2 1 388.943 3.852 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(Cl)nc3)CC2)c1C ZINC000104074453 898124558 /nfs/dbraw/zinc/12/45/58/898124558.db2.gz UVCXNQQFAOYLCV-UHFFFAOYSA-N 2 1 388.943 3.852 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000569236773 898455277 /nfs/dbraw/zinc/45/52/77/898455277.db2.gz CBRCPMKSQGWIIC-NFJGTOLLSA-N 2 1 383.580 3.953 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CCSc1ccnc3cc(Cl)ccc31)CCO2 ZINC000646105820 914260465 /nfs/dbraw/zinc/26/04/65/914260465.db2.gz IVPHMXQALTUYMM-UHFFFAOYSA-N 2 1 391.968 3.777 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136643852 898706533 /nfs/dbraw/zinc/70/65/33/898706533.db2.gz YXXFDSBAMURMNH-HXUWFJFHSA-N 2 1 390.531 3.585 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3noc(-c4ccc([C@@H](C)[NH3+])cc4)n3)cc2F)CC1 ZINC000822950920 898749013 /nfs/dbraw/zinc/74/90/13/898749013.db2.gz GEDYJUXQSLEHLH-OAHLLOKOSA-N 2 1 395.482 3.704 20 0 GHADMP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000569694037 898890699 /nfs/dbraw/zinc/89/06/99/898890699.db2.gz GWJZDQOFNYNRIO-XMSQKQJNSA-N 2 1 381.520 3.826 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569948204 899038164 /nfs/dbraw/zinc/03/81/64/899038164.db2.gz JYBCSCNBAHTTFC-UCFCWBNQSA-N 2 1 381.564 3.798 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)C1 ZINC000570215535 899200443 /nfs/dbraw/zinc/20/04/43/899200443.db2.gz IZYCIIMFIIFSTL-TZIWHRDSSA-N 2 1 385.577 3.647 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803902 899338390 /nfs/dbraw/zinc/33/83/90/899338390.db2.gz NGBKWXFLJDQBRK-RTBURBONSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803902 899338402 /nfs/dbraw/zinc/33/84/02/899338402.db2.gz NGBKWXFLJDQBRK-RTBURBONSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803902 899338415 /nfs/dbraw/zinc/33/84/15/899338415.db2.gz NGBKWXFLJDQBRK-RTBURBONSA-N 2 1 397.485 3.516 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289787186 914347254 /nfs/dbraw/zinc/34/72/54/914347254.db2.gz RQYQDDJVHQAVDW-GBAJDQEWSA-N 2 1 382.552 3.623 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000824332823 899534082 /nfs/dbraw/zinc/53/40/82/899534082.db2.gz RKHJUKKZSIVMNG-RTBURBONSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C(=O)OCc4ccccc4)[nH]3)C2)CC1 ZINC000824332253 899559889 /nfs/dbraw/zinc/55/98/89/899559889.db2.gz HBQDYOKYKNPGAN-UHFFFAOYSA-N 2 1 381.520 3.680 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000824383938 899575926 /nfs/dbraw/zinc/57/59/26/899575926.db2.gz WNOHEVMEUMSUNC-RTBURBONSA-N 2 1 385.552 3.551 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576581 899696236 /nfs/dbraw/zinc/69/62/36/899696236.db2.gz BRDLNEXQXWBALQ-POZUXBRTSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576581 899696240 /nfs/dbraw/zinc/69/62/40/899696240.db2.gz BRDLNEXQXWBALQ-POZUXBRTSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000824644993 899735606 /nfs/dbraw/zinc/73/56/06/899735606.db2.gz VXWRKMOMMTZHBZ-SJORKVTESA-N 2 1 393.547 3.724 20 0 GHADMP CC[C@@H](C)Oc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000646275755 914375456 /nfs/dbraw/zinc/37/54/56/914375456.db2.gz YBCBVCFSIAGQNW-OKCRPCIYSA-N 2 1 390.568 3.946 20 0 GHADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000646275755 914375469 /nfs/dbraw/zinc/37/54/69/914375469.db2.gz YBCBVCFSIAGQNW-OKCRPCIYSA-N 2 1 390.568 3.946 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)ccc1OC ZINC000646275755 914375478 /nfs/dbraw/zinc/37/54/78/914375478.db2.gz YBCBVCFSIAGQNW-OKCRPCIYSA-N 2 1 390.568 3.946 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)ccc1OC ZINC000646275755 914375486 /nfs/dbraw/zinc/37/54/86/914375486.db2.gz YBCBVCFSIAGQNW-OKCRPCIYSA-N 2 1 390.568 3.946 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571924035 900008752 /nfs/dbraw/zinc/00/87/52/900008752.db2.gz HZQPEPUFPNBLMC-VQTJNVASSA-N 2 1 398.595 3.776 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000571924035 900008758 /nfs/dbraw/zinc/00/87/58/900008758.db2.gz HZQPEPUFPNBLMC-VQTJNVASSA-N 2 1 398.595 3.776 20 0 GHADMP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1OC(F)(F)F ZINC001143879220 900663502 /nfs/dbraw/zinc/66/35/02/900663502.db2.gz CCAPYHPSICNXNM-UHFFFAOYSA-N 2 1 381.398 3.619 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646378375 914467070 /nfs/dbraw/zinc/46/70/70/914467070.db2.gz JNNUGZUVJGVENS-HKBOAZHASA-N 2 1 398.595 3.731 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844327301 900699654 /nfs/dbraw/zinc/69/96/54/900699654.db2.gz POUCULKDLWZUIE-SFHVURJKSA-N 2 1 386.561 3.726 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844327301 900699659 /nfs/dbraw/zinc/69/96/59/900699659.db2.gz POUCULKDLWZUIE-SFHVURJKSA-N 2 1 386.561 3.726 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844327301 900699666 /nfs/dbraw/zinc/69/96/66/900699666.db2.gz POUCULKDLWZUIE-SFHVURJKSA-N 2 1 386.561 3.726 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C)(CC(C)C)CC3)CC2)CC1 ZINC000573933604 900704667 /nfs/dbraw/zinc/70/46/67/900704667.db2.gz ISWSPCBOXZJNCK-UHFFFAOYSA-N 2 1 377.617 3.858 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCCC4)[C@@H]3C(C)C)CC2)CC1 ZINC000573933634 900704853 /nfs/dbraw/zinc/70/48/53/900704853.db2.gz IYROAFNURVYHHO-NRFANRHFSA-N 2 1 375.601 3.610 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000574684895 900971803 /nfs/dbraw/zinc/97/18/03/900971803.db2.gz STAHKDOAPXZRKO-FQEVSTJZSA-N 2 1 381.520 3.538 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886592029 901182008 /nfs/dbraw/zinc/18/20/08/901182008.db2.gz IRZJNVBYESKWIV-FWBPICPKSA-N 2 1 391.559 3.855 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)Cc2ccccc21 ZINC000844710250 901186082 /nfs/dbraw/zinc/18/60/82/901186082.db2.gz PFCFDQJTWXEJQK-HXUWFJFHSA-N 2 1 385.552 3.817 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc4[nH]cnc4c3)CC2)c1C ZINC000576074579 901650733 /nfs/dbraw/zinc/65/07/33/901650733.db2.gz MELFKLYYWDYQDY-UHFFFAOYSA-N 2 1 393.535 3.680 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc4[nH]cnc4c3)CC2)c1C ZINC000576074579 901650743 /nfs/dbraw/zinc/65/07/43/901650743.db2.gz MELFKLYYWDYQDY-UHFFFAOYSA-N 2 1 393.535 3.680 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc4nc[nH]c4c3)CC2)c1C ZINC000576074579 901650753 /nfs/dbraw/zinc/65/07/53/901650753.db2.gz MELFKLYYWDYQDY-UHFFFAOYSA-N 2 1 393.535 3.680 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc4nc[nH]c4c3)CC2)c1C ZINC000576074579 901650757 /nfs/dbraw/zinc/65/07/57/901650757.db2.gz MELFKLYYWDYQDY-UHFFFAOYSA-N 2 1 393.535 3.680 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001144323230 901738536 /nfs/dbraw/zinc/73/85/36/901738536.db2.gz SYMDZVVPDLEUHC-UHFFFAOYSA-N 2 1 379.548 3.759 20 0 GHADMP CC[NH+]1CCC(CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000576719675 902216165 /nfs/dbraw/zinc/21/61/65/902216165.db2.gz JGNBMKGGONWPFL-UHFFFAOYSA-N 2 1 383.540 3.908 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000576764798 902244712 /nfs/dbraw/zinc/24/47/12/902244712.db2.gz CNWLHFBZTHBBQW-UHFFFAOYSA-N 2 1 399.966 3.792 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000576764798 902244723 /nfs/dbraw/zinc/24/47/23/902244723.db2.gz CNWLHFBZTHBBQW-UHFFFAOYSA-N 2 1 399.966 3.792 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893132 902338796 /nfs/dbraw/zinc/33/87/96/902338796.db2.gz WLDFKBWLSWMMNG-DSITVLBTSA-N 2 1 393.575 3.793 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893132 902338806 /nfs/dbraw/zinc/33/88/06/902338806.db2.gz WLDFKBWLSWMMNG-DSITVLBTSA-N 2 1 393.575 3.793 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577107793 902508195 /nfs/dbraw/zinc/50/81/95/902508195.db2.gz SMPZHOVBIBPCBP-PBEJRMEISA-N 2 1 389.902 3.678 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ncn3ccccc13)CC2 ZINC001144618194 902510634 /nfs/dbraw/zinc/51/06/34/902510634.db2.gz JMRIGWSLHLGMCP-GOSISDBHSA-N 2 1 396.560 3.651 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000577271847 902636629 /nfs/dbraw/zinc/63/66/29/902636629.db2.gz CNIWUWBIWFLABM-WMZHIEFXSA-N 2 1 394.563 3.899 20 0 GHADMP CC[NH+](CC1(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)COC1)[C@@H]1CCOC(C)(C)C1 ZINC000577545709 902872777 /nfs/dbraw/zinc/87/27/77/902872777.db2.gz BIWQITBBWPJBQL-WOJBJXKFSA-N 2 1 396.616 3.562 20 0 GHADMP COc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(C)c1OC ZINC000577913730 903338825 /nfs/dbraw/zinc/33/88/25/903338825.db2.gz XCHLFYYXRKZEDO-UHFFFAOYSA-N 2 1 387.524 3.619 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000578002006 903435139 /nfs/dbraw/zinc/43/51/39/903435139.db2.gz BCOZOSFRWYPDRH-CABCVRRESA-N 2 1 387.337 3.610 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000578002006 903435145 /nfs/dbraw/zinc/43/51/45/903435145.db2.gz BCOZOSFRWYPDRH-CABCVRRESA-N 2 1 387.337 3.610 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000578040156 903466575 /nfs/dbraw/zinc/46/65/75/903466575.db2.gz IKVJMZXQOMYCIZ-CEMLEFRQSA-N 2 1 399.604 3.764 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000779053734 903564750 /nfs/dbraw/zinc/56/47/50/903564750.db2.gz BEQBDXZGCZRZPT-VQTJNVASSA-N 2 1 375.557 3.921 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC001146747952 903600104 /nfs/dbraw/zinc/60/01/04/903600104.db2.gz FSPXNLGRKAZNQR-XUZZJYLKSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001146747952 903600113 /nfs/dbraw/zinc/60/01/13/903600113.db2.gz FSPXNLGRKAZNQR-XUZZJYLKSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001146747952 903600122 /nfs/dbraw/zinc/60/01/22/903600122.db2.gz FSPXNLGRKAZNQR-XUZZJYLKSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001146934006 903643557 /nfs/dbraw/zinc/64/35/57/903643557.db2.gz KARYYSGIFKLFMA-UXHICEINSA-N 2 1 387.568 3.992 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000779064788 903727029 /nfs/dbraw/zinc/72/70/29/903727029.db2.gz NIVQGKYOMFTSOM-JQVVWYNYSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000646681174 914771452 /nfs/dbraw/zinc/77/14/52/914771452.db2.gz LGTIDEINMUMQLW-FYYLOGMGSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000646681174 914771465 /nfs/dbraw/zinc/77/14/65/914771465.db2.gz LGTIDEINMUMQLW-FYYLOGMGSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000646681174 914771469 /nfs/dbraw/zinc/77/14/69/914771469.db2.gz LGTIDEINMUMQLW-FYYLOGMGSA-N 2 1 385.596 3.569 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000578687905 904053125 /nfs/dbraw/zinc/05/31/25/904053125.db2.gz XCXVEZAPRCHTEN-ICFOKQHNSA-N 2 1 381.511 3.649 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000579472461 904634129 /nfs/dbraw/zinc/63/41/29/904634129.db2.gz VPJCOIPHJKIWHO-JOCHJYFZSA-N 2 1 393.531 3.671 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000579472461 904634135 /nfs/dbraw/zinc/63/41/35/904634135.db2.gz VPJCOIPHJKIWHO-JOCHJYFZSA-N 2 1 393.531 3.671 20 0 GHADMP CN(C)c1ccccc1C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000579528755 904675693 /nfs/dbraw/zinc/67/56/93/904675693.db2.gz JYBHAPFFHFSULS-UHFFFAOYSA-N 2 1 380.580 3.915 20 0 GHADMP COC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000290837958 914838282 /nfs/dbraw/zinc/83/82/82/914838282.db2.gz YHCCTPMFNOASQP-IBGZPJMESA-N 2 1 377.916 3.543 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171546720 904788640 /nfs/dbraw/zinc/78/86/40/904788640.db2.gz LAGFABSXNSQHKO-INIZCTEOSA-N 2 1 375.438 3.923 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001171590995 904818432 /nfs/dbraw/zinc/81/84/32/904818432.db2.gz FMRHTVQSFWIVIL-SCTDSRPQSA-N 2 1 378.561 3.985 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001171590995 904818446 /nfs/dbraw/zinc/81/84/46/904818446.db2.gz FMRHTVQSFWIVIL-SCTDSRPQSA-N 2 1 378.561 3.985 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(Cc3ccccc3)C(C)C)CC2)CC1 ZINC001171556746 904827481 /nfs/dbraw/zinc/82/74/81/904827481.db2.gz IGNZIAHOUCGRRQ-RUZDIDTESA-N 2 1 399.623 3.956 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)c1 ZINC001171579566 904848286 /nfs/dbraw/zinc/84/82/86/904848286.db2.gz QDETVUPFLVYXDK-QHCPKHFHSA-N 2 1 392.543 3.893 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC001171625808 904888428 /nfs/dbraw/zinc/88/84/28/904888428.db2.gz OMVSTPNTABDCOS-FQEVSTJZSA-N 2 1 394.003 3.954 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn(C2CC(C)(C)[NH+](C)C(C)(C)C2)c2ccccc12 ZINC001171623275 904888921 /nfs/dbraw/zinc/88/89/21/904888921.db2.gz RAZGOFBDGLMTEM-HSZRJFAPSA-N 2 1 385.552 3.898 20 0 GHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1(C)C ZINC001171638189 904927341 /nfs/dbraw/zinc/92/73/41/904927341.db2.gz VXUWWTZLJRGENC-UHFFFAOYSA-N 2 1 384.490 3.874 20 0 GHADMP COc1ccc(C[NH+]2CCC(N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171726586 904950873 /nfs/dbraw/zinc/95/08/73/904950873.db2.gz YLOQBPKZYOCQHK-GBXCKJPGSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(C[NH+]2CCC(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171726586 904950890 /nfs/dbraw/zinc/95/08/90/904950890.db2.gz YLOQBPKZYOCQHK-GBXCKJPGSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171744116 904971064 /nfs/dbraw/zinc/97/10/64/904971064.db2.gz DNBAMJKBGPKEMK-FFGQSGGTSA-N 2 1 375.560 3.980 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171744116 904971078 /nfs/dbraw/zinc/97/10/78/904971078.db2.gz DNBAMJKBGPKEMK-FFGQSGGTSA-N 2 1 375.560 3.980 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC001171752076 904979986 /nfs/dbraw/zinc/97/99/86/904979986.db2.gz PNDJRXIJCUWZSK-OLOOCYQZSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC001171752076 904979997 /nfs/dbraw/zinc/97/99/97/904979997.db2.gz PNDJRXIJCUWZSK-OLOOCYQZSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)o1 ZINC001171752076 904980008 /nfs/dbraw/zinc/98/00/08/904980008.db2.gz PNDJRXIJCUWZSK-OLOOCYQZSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)o1 ZINC001171752076 904980024 /nfs/dbraw/zinc/98/00/24/904980024.db2.gz PNDJRXIJCUWZSK-OLOOCYQZSA-N 2 1 379.548 3.900 20 0 GHADMP C[C@@H]1C[C@H](N(c2ccccc2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC001171752027 904980253 /nfs/dbraw/zinc/98/02/53/904980253.db2.gz PJABPNPDWPJSQO-AKAGGGOCSA-N 2 1 391.559 3.677 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCc3nccn3CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825043 905039425 /nfs/dbraw/zinc/03/94/25/905039425.db2.gz LQLVALXSZKYZPC-PIIMJCKOSA-N 2 1 376.545 3.698 20 0 GHADMP CC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155242 905047615 /nfs/dbraw/zinc/04/76/15/905047615.db2.gz FNAQDPGRMVRJRX-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155242 905047635 /nfs/dbraw/zinc/04/76/35/905047635.db2.gz FNAQDPGRMVRJRX-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](Cc1cccc(C(=O)N(C)C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076155242 905047651 /nfs/dbraw/zinc/04/76/51/905047651.db2.gz FNAQDPGRMVRJRX-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](Cc1cccc(C(=O)N(C)C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076155242 905047664 /nfs/dbraw/zinc/04/76/64/905047664.db2.gz FNAQDPGRMVRJRX-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876437 905080396 /nfs/dbraw/zinc/08/03/96/905080396.db2.gz BLTJTRVJTFVMQO-REWPJTCUSA-N 2 1 379.548 3.778 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001171876721 905081086 /nfs/dbraw/zinc/08/10/86/905081086.db2.gz BPYPQAPAYVKHRO-PKTZIBPZSA-N 2 1 383.580 3.926 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001171876721 905081104 /nfs/dbraw/zinc/08/11/04/905081104.db2.gz BPYPQAPAYVKHRO-PKTZIBPZSA-N 2 1 383.580 3.926 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171962115 905169940 /nfs/dbraw/zinc/16/99/40/905169940.db2.gz BLJGMPIQADHBPI-XZOQPEGZSA-N 2 1 391.559 3.820 20 0 GHADMP Cc1cnc(O[C@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989591 905198594 /nfs/dbraw/zinc/19/85/94/905198594.db2.gz DWYZRNSIVOVHPX-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989591 905198605 /nfs/dbraw/zinc/19/86/05/905198605.db2.gz DWYZRNSIVOVHPX-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989591 905198611 /nfs/dbraw/zinc/19/86/11/905198611.db2.gz DWYZRNSIVOVHPX-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989591 905198624 /nfs/dbraw/zinc/19/86/24/905198624.db2.gz DWYZRNSIVOVHPX-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990733 905201654 /nfs/dbraw/zinc/20/16/54/905201654.db2.gz NPCOUYDZXIKOEK-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990733 905201666 /nfs/dbraw/zinc/20/16/66/905201666.db2.gz NPCOUYDZXIKOEK-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990733 905201681 /nfs/dbraw/zinc/20/16/81/905201681.db2.gz NPCOUYDZXIKOEK-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990733 905201694 /nfs/dbraw/zinc/20/16/94/905201694.db2.gz NPCOUYDZXIKOEK-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171991472 905203741 /nfs/dbraw/zinc/20/37/41/905203741.db2.gz XSRLRSWXCQSKHE-QFIPXVFZSA-N 2 1 393.579 3.787 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC3CC2(C(=O)N2CCCC2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001171978916 905226513 /nfs/dbraw/zinc/22/65/13/905226513.db2.gz FTKHMYPGEZTZLN-DQBMGFJSSA-N 2 1 381.564 3.516 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC3CC2(C(=O)N2CCCC2)C3)CC[N@H+]1Cc1ccccc1 ZINC001171978916 905226526 /nfs/dbraw/zinc/22/65/26/905226526.db2.gz FTKHMYPGEZTZLN-DQBMGFJSSA-N 2 1 381.564 3.516 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)CC[NH+]1Cc1ccccc1 ZINC001171978916 905226542 /nfs/dbraw/zinc/22/65/42/905226542.db2.gz FTKHMYPGEZTZLN-DQBMGFJSSA-N 2 1 381.564 3.516 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CC3CC2(C(=O)N2CCCC2)C3)CC[NH+]1Cc1ccccc1 ZINC001171978916 905226558 /nfs/dbraw/zinc/22/65/58/905226558.db2.gz FTKHMYPGEZTZLN-DQBMGFJSSA-N 2 1 381.564 3.516 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172075621 905284050 /nfs/dbraw/zinc/28/40/50/905284050.db2.gz CMULHXBSBZOOIW-WKCHPHFGSA-N 2 1 379.504 3.544 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172075621 905284057 /nfs/dbraw/zinc/28/40/57/905284057.db2.gz CMULHXBSBZOOIW-WKCHPHFGSA-N 2 1 379.504 3.544 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172066766 905331099 /nfs/dbraw/zinc/33/10/99/905331099.db2.gz BFFPORKLPXTCOK-JTOYRKQZSA-N 2 1 380.532 3.904 20 0 GHADMP [NH3+]Cc1cccc(-c2nnn([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)c1 ZINC001172066670 905331570 /nfs/dbraw/zinc/33/15/70/905331570.db2.gz DYVQSWAMUZIWPV-KOUNCHBCSA-N 2 1 388.519 3.557 20 0 GHADMP COC(=O)c1cccc(C(=[NH2+])N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172066684 905331974 /nfs/dbraw/zinc/33/19/74/905331974.db2.gz AYPMEXLFLJCIBZ-KOUNCHBCSA-N 2 1 391.515 3.974 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)C2 ZINC001172104276 905352856 /nfs/dbraw/zinc/35/28/56/905352856.db2.gz BFEKVRPWEFXSNU-BJESRGMDSA-N 2 1 383.580 3.652 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1COc3ccc(Br)cc3C1)C2 ZINC001172115014 905362348 /nfs/dbraw/zinc/36/23/48/905362348.db2.gz TXGWEUXWMFKPSK-NKGKWGDASA-N 2 1 379.342 3.605 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121857 905378844 /nfs/dbraw/zinc/37/88/44/905378844.db2.gz UKUQXHCJGIZUTA-JYLXEMOASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121857 905378858 /nfs/dbraw/zinc/37/88/58/905378858.db2.gz UKUQXHCJGIZUTA-JYLXEMOASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121857 905378875 /nfs/dbraw/zinc/37/88/75/905378875.db2.gz UKUQXHCJGIZUTA-JYLXEMOASA-N 2 1 377.573 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121392 905379343 /nfs/dbraw/zinc/37/93/43/905379343.db2.gz PZVRVHHENUHXLW-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121392 905379355 /nfs/dbraw/zinc/37/93/55/905379355.db2.gz PZVRVHHENUHXLW-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121392 905379363 /nfs/dbraw/zinc/37/93/63/905379363.db2.gz PZVRVHHENUHXLW-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123313 905383354 /nfs/dbraw/zinc/38/33/54/905383354.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001172123313 905383369 /nfs/dbraw/zinc/38/33/69/905383369.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001172123313 905383382 /nfs/dbraw/zinc/38/33/82/905383382.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 2 1 382.596 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123313 905383389 /nfs/dbraw/zinc/38/33/89/905383389.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 3 1 382.596 3.629 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123313 905383399 /nfs/dbraw/zinc/38/33/99/905383399.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123313 905383406 /nfs/dbraw/zinc/38/34/06/905383406.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123313 905383418 /nfs/dbraw/zinc/38/34/18/905383418.db2.gz ZNDUINNQBYODKM-IOOQWTENSA-N 3 1 382.596 3.629 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C[C@H]1C ZINC001172374456 905487474 /nfs/dbraw/zinc/48/74/74/905487474.db2.gz QQEVRUBKTIDFBA-PQNGQFLHSA-N 2 1 397.607 3.868 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001172342424 905507807 /nfs/dbraw/zinc/50/78/07/905507807.db2.gz YXBLLHTXJSWKEQ-LEWJYISDSA-N 2 1 389.584 3.590 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CCOC(C)C)CC2 ZINC001172446688 905564428 /nfs/dbraw/zinc/56/44/28/905564428.db2.gz NCNJRHQAHXFNLI-RBUKOAKNSA-N 2 1 395.613 3.650 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000175456169 905569353 /nfs/dbraw/zinc/56/93/53/905569353.db2.gz TWABOXFYOVMBNR-GHTZIAJQSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000175456169 905569359 /nfs/dbraw/zinc/56/93/59/905569359.db2.gz TWABOXFYOVMBNR-GHTZIAJQSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000175456169 905569370 /nfs/dbraw/zinc/56/93/70/905569370.db2.gz TWABOXFYOVMBNR-GHTZIAJQSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000175456169 905569379 /nfs/dbraw/zinc/56/93/79/905569379.db2.gz TWABOXFYOVMBNR-GHTZIAJQSA-N 2 1 398.551 3.536 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172529509 905591055 /nfs/dbraw/zinc/59/10/55/905591055.db2.gz YPCKHGCXBJBFAN-RJGXRXQPSA-N 2 1 383.580 3.591 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172560751 905623094 /nfs/dbraw/zinc/62/30/94/905623094.db2.gz SHXSJDZDIOCVRR-UEQSERJNSA-N 2 1 395.591 3.730 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001172615083 905672120 /nfs/dbraw/zinc/67/21/20/905672120.db2.gz FVBKUYVCOSFWHK-WBVHZDCISA-N 2 1 387.911 3.742 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176013331 905726958 /nfs/dbraw/zinc/72/69/58/905726958.db2.gz PJYDQBWORDZTME-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)CC[C@@H]1F ZINC001206172986 905751466 /nfs/dbraw/zinc/75/14/66/905751466.db2.gz DQRRJXVYDLCHIJ-JKSUJKDBSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)CC[C@@H]1F ZINC001206172986 905751472 /nfs/dbraw/zinc/75/14/72/905751472.db2.gz DQRRJXVYDLCHIJ-JKSUJKDBSA-N 2 1 378.289 3.772 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667583 905751680 /nfs/dbraw/zinc/75/16/80/905751680.db2.gz GRVVTEUXFYSBAK-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667583 905751686 /nfs/dbraw/zinc/75/16/86/905751686.db2.gz GRVVTEUXFYSBAK-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP COc1ccccc1C[N@@H+]([C@H](C)CCC(=O)OC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172750879 905788653 /nfs/dbraw/zinc/78/86/53/905788653.db2.gz HIAZNRZLNKBQJO-MISYRCLQSA-N 2 1 376.541 3.887 20 0 GHADMP Cc1ccc2c(c1)c1c(n2C2CC[NH+](CC(=O)OC(C)(C)C)CC2)CC[NH2+]C1 ZINC001172895117 905982103 /nfs/dbraw/zinc/98/21/03/905982103.db2.gz LIOBCWCLWMQCIG-UHFFFAOYSA-N 2 1 383.536 3.574 20 0 GHADMP CC[NH+](CC)C1CCC(n2cc(C[C@@](C)([NH3+])C(=O)OC)c3ccccc32)CC1 ZINC001173104431 906190546 /nfs/dbraw/zinc/19/05/46/906190546.db2.gz OSTHOFJMUSWUQF-MTNXOHHFSA-N 2 1 385.552 3.900 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001173113876 906203142 /nfs/dbraw/zinc/20/31/42/906203142.db2.gz NQEVDMDSQADXEY-AABGDIPYSA-N 2 1 379.589 3.875 20 0 GHADMP COc1cccc2c1C[C@@H]([NH+]1CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154200 906241055 /nfs/dbraw/zinc/24/10/55/906241055.db2.gz LEPQULUXLGXDGU-JPYJTQIMSA-N 2 1 396.531 3.968 20 0 GHADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173384037 906412683 /nfs/dbraw/zinc/41/26/83/906412683.db2.gz NEXWOXFCLXAZSS-SQNIBIBYSA-N 2 1 398.588 3.514 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC001173409092 906435422 /nfs/dbraw/zinc/43/54/22/906435422.db2.gz QRNWTHGLGHWWAF-FCHUYYIVSA-N 2 1 399.579 3.639 20 0 GHADMP COc1ccc(C(=O)N2CCC([NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001173409092 906435425 /nfs/dbraw/zinc/43/54/25/906435425.db2.gz QRNWTHGLGHWWAF-FCHUYYIVSA-N 2 1 399.579 3.639 20 0 GHADMP COc1ccc(C(=O)N2CCC([NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001173409092 906435435 /nfs/dbraw/zinc/43/54/35/906435435.db2.gz QRNWTHGLGHWWAF-FCHUYYIVSA-N 2 1 399.579 3.639 20 0 GHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173413675 906442144 /nfs/dbraw/zinc/44/21/44/906442144.db2.gz RBGKZLCKIVLSOD-IBGZPJMESA-N 2 1 377.960 3.797 20 0 GHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173413675 906442152 /nfs/dbraw/zinc/44/21/52/906442152.db2.gz RBGKZLCKIVLSOD-IBGZPJMESA-N 2 1 377.960 3.797 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001173452571 906493410 /nfs/dbraw/zinc/49/34/10/906493410.db2.gz TVRACKREDBTTOO-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001173452571 906493412 /nfs/dbraw/zinc/49/34/12/906493412.db2.gz TVRACKREDBTTOO-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001173452571 906493419 /nfs/dbraw/zinc/49/34/19/906493419.db2.gz TVRACKREDBTTOO-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001173452571 906493427 /nfs/dbraw/zinc/49/34/27/906493427.db2.gz TVRACKREDBTTOO-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3nc4ccc(Cl)cc4n3C)CC2)nc(C)[nH+]1 ZINC000180144791 906700436 /nfs/dbraw/zinc/70/04/36/906700436.db2.gz JMGFNAXQOPIXOU-AWEZNQCLSA-N 2 1 398.942 3.953 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)[C@H](C)C1 ZINC001173777304 906703181 /nfs/dbraw/zinc/70/31/81/906703181.db2.gz GLLASKAMSWBVQH-FOIQADDNSA-N 2 1 395.950 3.792 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180160991 906704025 /nfs/dbraw/zinc/70/40/25/906704025.db2.gz WJHJQFQHUFFQLB-ACIOBRDBSA-N 2 1 383.580 3.524 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566768 906873782 /nfs/dbraw/zinc/87/37/82/906873782.db2.gz OBTFGIWQPUYBQK-MNOVXSKESA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566768 906873788 /nfs/dbraw/zinc/87/37/88/906873788.db2.gz OBTFGIWQPUYBQK-MNOVXSKESA-N 2 1 398.256 3.781 20 0 GHADMP CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629652701 906929285 /nfs/dbraw/zinc/92/92/85/906929285.db2.gz AMYTVVRNIROKEM-UHFFFAOYSA-N 2 1 390.531 3.699 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000365999741 921279836 /nfs/dbraw/zinc/27/98/36/921279836.db2.gz LUMOXUIGAWBODP-KNQAVFIVSA-N 2 1 379.548 3.873 20 0 GHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NC(=O)C3CC[NH2+]CC3)nc2)cc1 ZINC000629702598 906969135 /nfs/dbraw/zinc/96/91/35/906969135.db2.gz QCOXEHGXRKHGDZ-QGZVFWFLSA-N 2 1 378.520 3.671 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)cc2)CC1 ZINC000182455586 907209125 /nfs/dbraw/zinc/20/91/25/907209125.db2.gz UCIJCDPATLIWLJ-IBGZPJMESA-N 2 1 398.595 3.810 20 0 GHADMP COCc1cccc(OCC2(C[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)CCC2)c1 ZINC001175769765 907735812 /nfs/dbraw/zinc/73/58/12/907735812.db2.gz UBNDSNCPZRPEBW-HXUWFJFHSA-N 2 1 395.547 3.988 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668327 907810593 /nfs/dbraw/zinc/81/05/93/907810593.db2.gz FXUMUQSSRSSMDE-CABCVRRESA-N 2 1 394.357 3.630 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668327 907810598 /nfs/dbraw/zinc/81/05/98/907810598.db2.gz FXUMUQSSRSSMDE-CABCVRRESA-N 2 1 394.357 3.630 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678593 907812274 /nfs/dbraw/zinc/81/22/74/907812274.db2.gz YGYJYDLZJNPFFG-ZHALLVOQSA-N 2 1 375.532 3.588 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678593 907812285 /nfs/dbraw/zinc/81/22/85/907812285.db2.gz YGYJYDLZJNPFFG-ZHALLVOQSA-N 2 1 375.532 3.588 20 0 GHADMP COc1ccccc1[C@@H]1CSCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC001175946365 907858566 /nfs/dbraw/zinc/85/85/66/907858566.db2.gz IVIPCGCDFSCLRW-NRFANRHFSA-N 2 1 391.625 3.591 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000186356001 907913470 /nfs/dbraw/zinc/91/34/70/907913470.db2.gz JVRSVFNOTAVHJG-UHFFFAOYSA-N 2 1 397.538 3.648 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2csc(C(F)(F)F)c2)c2cccs2)CC1 ZINC001177103838 908408615 /nfs/dbraw/zinc/40/86/15/908408615.db2.gz AVTJWOZCNIVAIZ-AWEZNQCLSA-N 2 1 389.512 3.907 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC001177133372 908419089 /nfs/dbraw/zinc/41/90/89/908419089.db2.gz SXHVNQWDUQXPMO-LJQANCHMSA-N 2 1 396.531 3.903 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000633944811 908547144 /nfs/dbraw/zinc/54/71/44/908547144.db2.gz MSQNHTPQXKBEIQ-HXUWFJFHSA-N 2 1 398.595 3.970 20 0 GHADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191542454 908640412 /nfs/dbraw/zinc/64/04/12/908640412.db2.gz IDHLDEMHCYKMTQ-JOCHJYFZSA-N 2 1 383.584 3.609 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c[nH]nc3-c3cccs3)c2)CCO1 ZINC000067976597 908746742 /nfs/dbraw/zinc/74/67/42/908746742.db2.gz AELORQLYMFHAMK-MRXNPFEDSA-N 2 1 382.533 3.649 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c[nH]nc3-c3cccs3)c2)CCO1 ZINC000067976597 908746750 /nfs/dbraw/zinc/74/67/50/908746750.db2.gz AELORQLYMFHAMK-MRXNPFEDSA-N 2 1 382.533 3.649 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC001178290829 908989517 /nfs/dbraw/zinc/98/95/17/908989517.db2.gz NSDPBTSWTXGYQZ-INIZCTEOSA-N 2 1 395.366 3.757 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)nc(Br)c2)CC1 ZINC001206324350 909002072 /nfs/dbraw/zinc/00/20/72/909002072.db2.gz AFWIJOQPMAWXFY-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)nc(Br)c2)CC1 ZINC001206324350 909002091 /nfs/dbraw/zinc/00/20/91/909002091.db2.gz AFWIJOQPMAWXFY-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC001178393278 909027657 /nfs/dbraw/zinc/02/76/57/909027657.db2.gz LPNPKECPHWGQGK-UHFFFAOYSA-N 2 1 375.557 3.601 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001179873152 909794593 /nfs/dbraw/zinc/79/45/93/909794593.db2.gz DDVCHORZDZPLID-HNNXBMFYSA-N 2 1 389.341 3.757 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC001179873152 909794607 /nfs/dbraw/zinc/79/46/07/909794607.db2.gz DDVCHORZDZPLID-HNNXBMFYSA-N 2 1 389.341 3.757 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001180042697 909909847 /nfs/dbraw/zinc/90/98/47/909909847.db2.gz HPRDABUVFJHLKX-UXHICEINSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000245843016 909956035 /nfs/dbraw/zinc/95/60/35/909956035.db2.gz DAFPPTTXVOLZQR-NJDAHSKKSA-N 2 1 387.568 3.586 20 0 GHADMP C[C@H]1c2ccsc2CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637895335 909997671 /nfs/dbraw/zinc/99/76/71/909997671.db2.gz LSWVQZIXFOXWOO-KRWDZBQOSA-N 2 1 383.561 3.577 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001180194541 910030294 /nfs/dbraw/zinc/03/02/94/910030294.db2.gz GNVRLMXHNKKKSX-BWKNWUBXSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@@H](C(=O)NC3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001180194541 910030300 /nfs/dbraw/zinc/03/03/00/910030300.db2.gz GNVRLMXHNKKKSX-BWKNWUBXSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@@H](C(=O)NC3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180194541 910030314 /nfs/dbraw/zinc/03/03/14/910030314.db2.gz GNVRLMXHNKKKSX-BWKNWUBXSA-N 2 1 397.607 3.915 20 0 GHADMP O=c1c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cccn1C(F)F ZINC000638064249 910044314 /nfs/dbraw/zinc/04/43/14/910044314.db2.gz SONBTUJVHWXLLW-JOCHJYFZSA-N 2 1 387.474 3.732 20 0 GHADMP O=c1c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cccn1C(F)F ZINC000638064249 910044322 /nfs/dbraw/zinc/04/43/22/910044322.db2.gz SONBTUJVHWXLLW-JOCHJYFZSA-N 2 1 387.474 3.732 20 0 GHADMP O=c1c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cccn1C(F)F ZINC000638064249 910044335 /nfs/dbraw/zinc/04/43/35/910044335.db2.gz SONBTUJVHWXLLW-JOCHJYFZSA-N 2 1 387.474 3.732 20 0 GHADMP O=c1c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cccn1C(F)F ZINC000638064249 910044343 /nfs/dbraw/zinc/04/43/43/910044343.db2.gz SONBTUJVHWXLLW-JOCHJYFZSA-N 2 1 387.474 3.732 20 0 GHADMP Cc1cccnc1[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000638114247 910056845 /nfs/dbraw/zinc/05/68/45/910056845.db2.gz UJWPBACPUYOTHQ-QFIPXVFZSA-N 2 1 394.563 3.587 20 0 GHADMP CCC(=O)c1cccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000638275492 910102440 /nfs/dbraw/zinc/10/24/40/910102440.db2.gz STZSCPCSIARJHL-UHFFFAOYSA-N 2 1 379.504 3.601 20 0 GHADMP CN1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638321929 910116651 /nfs/dbraw/zinc/11/66/51/910116651.db2.gz NNNCRHXJAOLYFG-AZUAARDMSA-N 2 1 392.385 3.801 20 0 GHADMP CN1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638321930 910116715 /nfs/dbraw/zinc/11/67/15/910116715.db2.gz NNNCRHXJAOLYFG-ICSRJNTNSA-N 2 1 392.385 3.801 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCc3nnc4n3CCCCC4)CC[N@@H+]2C2CC2)cc1 ZINC000638341963 910125984 /nfs/dbraw/zinc/12/59/84/910125984.db2.gz FHJAFXBYPQVTCR-PZJWPPBQSA-N 2 1 379.552 3.505 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCc3nnc4n3CCCCC4)CC[N@H+]2C2CC2)cc1 ZINC000638341963 910125988 /nfs/dbraw/zinc/12/59/88/910125988.db2.gz FHJAFXBYPQVTCR-PZJWPPBQSA-N 2 1 379.552 3.505 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429636 910136499 /nfs/dbraw/zinc/13/64/99/910136499.db2.gz IRUGKFGAWVFYTN-ACESQOTJSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429636 910136503 /nfs/dbraw/zinc/13/65/03/910136503.db2.gz IRUGKFGAWVFYTN-ACESQOTJSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429636 910136505 /nfs/dbraw/zinc/13/65/05/910136505.db2.gz IRUGKFGAWVFYTN-ACESQOTJSA-N 2 1 383.580 3.524 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cccn4)cc3)CC2)nc(C)[nH+]1 ZINC000269099510 910139635 /nfs/dbraw/zinc/13/96/35/910139635.db2.gz SZHCSYAWMALVSA-KRWDZBQOSA-N 2 1 376.508 3.599 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000269250058 910195362 /nfs/dbraw/zinc/19/53/62/910195362.db2.gz OOPAEBCDLWQXFV-WOJBJXKFSA-N 2 1 396.579 3.717 20 0 GHADMP C[N@@H+](CC(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)C1CCCC1 ZINC001180629328 910276554 /nfs/dbraw/zinc/27/65/54/910276554.db2.gz UHRMWUSEXAOUHY-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000639022894 910293536 /nfs/dbraw/zinc/29/35/36/910293536.db2.gz JPIDDVXXXSMBNU-XLIONFOSSA-N 2 1 392.547 3.657 20 0 GHADMP O=C1[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038589 910294682 /nfs/dbraw/zinc/29/46/82/910294682.db2.gz LQDLXZKRQPOTDE-PTUXOGIPSA-N 2 1 390.531 3.535 20 0 GHADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC001181141640 910568315 /nfs/dbraw/zinc/56/83/15/910568315.db2.gz WLLQMFTUHLGKCS-HSZRJFAPSA-N 2 1 393.575 3.925 20 0 GHADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC001181141640 910568323 /nfs/dbraw/zinc/56/83/23/910568323.db2.gz WLLQMFTUHLGKCS-HSZRJFAPSA-N 2 1 393.575 3.925 20 0 GHADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC001181141640 910568333 /nfs/dbraw/zinc/56/83/33/910568333.db2.gz WLLQMFTUHLGKCS-HSZRJFAPSA-N 2 1 393.575 3.925 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246812329 910660318 /nfs/dbraw/zinc/66/03/18/910660318.db2.gz NJWWMQSFTIHPQB-WSTZPKSXSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246812329 910660324 /nfs/dbraw/zinc/66/03/24/910660324.db2.gz NJWWMQSFTIHPQB-WSTZPKSXSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246812329 910660333 /nfs/dbraw/zinc/66/03/33/910660333.db2.gz NJWWMQSFTIHPQB-WSTZPKSXSA-N 2 1 377.573 3.582 20 0 GHADMP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000246871256 910718259 /nfs/dbraw/zinc/71/82/59/910718259.db2.gz DKYGHWNNULBCHZ-MAUKXSAKSA-N 2 1 394.350 3.934 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)[C@@H](C)C1 ZINC000247070522 910942323 /nfs/dbraw/zinc/94/23/23/910942323.db2.gz OGQCONNEWRIHBV-IPJJNNNSSA-N 2 1 387.568 3.601 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C ZINC001181697577 910948022 /nfs/dbraw/zinc/94/80/22/910948022.db2.gz KYSGUYKKMJRHRP-XMMPIXPASA-N 2 1 378.516 3.880 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1C ZINC001181697577 910948032 /nfs/dbraw/zinc/94/80/32/910948032.db2.gz KYSGUYKKMJRHRP-XMMPIXPASA-N 2 1 378.516 3.880 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C ZINC001181697577 910948044 /nfs/dbraw/zinc/94/80/44/910948044.db2.gz KYSGUYKKMJRHRP-XMMPIXPASA-N 2 1 378.516 3.880 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1C ZINC001181697577 910948054 /nfs/dbraw/zinc/94/80/54/910948054.db2.gz KYSGUYKKMJRHRP-XMMPIXPASA-N 2 1 378.516 3.880 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001182152565 911211237 /nfs/dbraw/zinc/21/12/37/911211237.db2.gz PIEDUXQEHQMHFQ-UHFFFAOYSA-N 2 1 399.535 3.657 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1c(C)nc2scc(C)n12 ZINC001182425145 911615288 /nfs/dbraw/zinc/61/52/88/911615288.db2.gz ZXGNCKZDGLBMLP-TZIWHRDSSA-N 2 1 398.576 3.639 20 0 GHADMP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001182425145 911615294 /nfs/dbraw/zinc/61/52/94/911615294.db2.gz ZXGNCKZDGLBMLP-TZIWHRDSSA-N 2 1 398.576 3.639 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001182425145 911615317 /nfs/dbraw/zinc/61/53/17/911615317.db2.gz ZXGNCKZDGLBMLP-TZIWHRDSSA-N 2 1 398.576 3.639 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C)nc2scc(C)n12 ZINC001182425145 911615320 /nfs/dbraw/zinc/61/53/20/911615320.db2.gz ZXGNCKZDGLBMLP-TZIWHRDSSA-N 2 1 398.576 3.639 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)CC1 ZINC000283929811 911695958 /nfs/dbraw/zinc/69/59/58/911695958.db2.gz JCELVMODVJRWDP-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000366707370 921700598 /nfs/dbraw/zinc/70/05/98/921700598.db2.gz HJLHZTVRWXWEDN-QYYDGCESSA-N 3 1 399.623 3.787 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000366707370 921700609 /nfs/dbraw/zinc/70/06/09/921700609.db2.gz HJLHZTVRWXWEDN-QYYDGCESSA-N 2 1 399.623 3.787 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000366707370 921700616 /nfs/dbraw/zinc/70/06/16/921700616.db2.gz HJLHZTVRWXWEDN-QYYDGCESSA-N 2 1 399.623 3.787 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC(F)(F)CC[N@@H+]2[C@H](C)c2ccccc2)CC1 ZINC001187027870 914955806 /nfs/dbraw/zinc/95/58/06/914955806.db2.gz GHTBTMWKDALFJC-XLIONFOSSA-N 2 1 393.522 3.790 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC(F)(F)CC[N@H+]2[C@H](C)c2ccccc2)CC1 ZINC001187027870 914955814 /nfs/dbraw/zinc/95/58/14/914955814.db2.gz GHTBTMWKDALFJC-XLIONFOSSA-N 2 1 393.522 3.790 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N[C@H](C[NH3+])c3ccc4ccccc4c3)CC2)[nH+]c1 ZINC000647015201 914986478 /nfs/dbraw/zinc/98/64/78/914986478.db2.gz JSONAKVLPVYNQW-JOCHJYFZSA-N 2 1 388.515 3.576 20 0 GHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343936 915164224 /nfs/dbraw/zinc/16/42/24/915164224.db2.gz GANCBVFQCPYOBX-SGNDLWITSA-N 2 1 389.547 3.653 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000647343716 915164628 /nfs/dbraw/zinc/16/46/28/915164628.db2.gz AQVUFEXMQLBJBX-KWOQKUFVSA-N 3 1 381.564 3.623 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000647343716 915164639 /nfs/dbraw/zinc/16/46/39/915164639.db2.gz AQVUFEXMQLBJBX-KWOQKUFVSA-N 2 1 381.564 3.623 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647479697 915290206 /nfs/dbraw/zinc/29/02/06/915290206.db2.gz PWBFMIPPVIMYQR-UYAOXDASSA-N 2 1 392.469 3.914 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647479697 915290210 /nfs/dbraw/zinc/29/02/10/915290210.db2.gz PWBFMIPPVIMYQR-UYAOXDASSA-N 2 1 392.469 3.914 20 0 GHADMP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OCC(F)(F)F ZINC000647479616 915293592 /nfs/dbraw/zinc/29/35/92/915293592.db2.gz NITNZOGIUSGIIW-DLBZAZTESA-N 2 1 386.458 3.990 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OCC(F)(F)F ZINC000647479616 915293606 /nfs/dbraw/zinc/29/36/06/915293606.db2.gz NITNZOGIUSGIIW-DLBZAZTESA-N 2 1 386.458 3.990 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647975974 915457276 /nfs/dbraw/zinc/45/72/76/915457276.db2.gz IJMBIYSOKQJNEZ-CAMMJAKZSA-N 2 1 377.960 3.617 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)c1OC ZINC000647977918 915459618 /nfs/dbraw/zinc/45/96/18/915459618.db2.gz JSYOHYMEDRXVQR-HUUCEWRRSA-N 2 1 397.357 3.678 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000648715364 915830994 /nfs/dbraw/zinc/83/09/94/915830994.db2.gz UERSBYOFHVSEMU-NQIIRXRSSA-N 2 1 398.551 3.749 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000648736330 915847166 /nfs/dbraw/zinc/84/71/66/915847166.db2.gz QOERLBFLSFCXSI-RTBURBONSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000648736330 915847179 /nfs/dbraw/zinc/84/71/79/915847179.db2.gz QOERLBFLSFCXSI-RTBURBONSA-N 2 1 382.552 3.945 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000648852120 915909412 /nfs/dbraw/zinc/90/94/12/915909412.db2.gz OTQYEFOYBNQFAS-BVYCBKJFSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000648852120 915909418 /nfs/dbraw/zinc/90/94/18/915909418.db2.gz OTQYEFOYBNQFAS-BVYCBKJFSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000648852120 915909432 /nfs/dbraw/zinc/90/94/32/915909432.db2.gz OTQYEFOYBNQFAS-BVYCBKJFSA-N 2 1 387.568 3.745 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)cc1 ZINC000649101155 916023432 /nfs/dbraw/zinc/02/34/32/916023432.db2.gz OCMBCBYLWIJYQT-RPWUZVMVSA-N 2 1 393.575 3.994 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000649101155 916023451 /nfs/dbraw/zinc/02/34/51/916023451.db2.gz OCMBCBYLWIJYQT-RPWUZVMVSA-N 2 1 393.575 3.994 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000649101155 916023470 /nfs/dbraw/zinc/02/34/70/916023470.db2.gz OCMBCBYLWIJYQT-RPWUZVMVSA-N 2 1 393.575 3.994 20 0 GHADMP O=C(Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1)Nc1ccccc1 ZINC000649418061 916147295 /nfs/dbraw/zinc/14/72/95/916147295.db2.gz YQLKTUFYQZJCQF-MSOLQXFVSA-N 2 1 398.576 3.536 20 0 GHADMP CO[C@@]1(C)CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@](C)(OC)CC3)c2)CC1 ZINC000649526043 916209211 /nfs/dbraw/zinc/20/92/11/916209211.db2.gz YHPFHUIYQLYBTA-GOTSBHOMSA-N 2 1 389.584 3.864 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000650706412 917243923 /nfs/dbraw/zinc/24/39/23/917243923.db2.gz JUIABRFYLMRDPH-REHUZNOOSA-N 2 1 390.531 3.744 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OCC ZINC000650722196 917248312 /nfs/dbraw/zinc/24/83/12/917248312.db2.gz MYLRHUISWUMFOQ-SFHLNBCPSA-N 2 1 376.541 3.735 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722636 917248417 /nfs/dbraw/zinc/24/84/17/917248417.db2.gz YLMNRYZMSMESHV-NXHRZFHOSA-N 2 1 382.932 3.608 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775387640 917346695 /nfs/dbraw/zinc/34/66/95/917346695.db2.gz ZWFRUKXYBSSUDA-MAUKXSAKSA-N 2 1 397.535 3.556 20 0 GHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000651691981 917695791 /nfs/dbraw/zinc/69/57/91/917695791.db2.gz NWVVOBCXOBOJHA-UHFFFAOYSA-N 2 1 378.520 3.719 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc3ccccc32)C1 ZINC000652361552 917882844 /nfs/dbraw/zinc/88/28/44/917882844.db2.gz JWPZUJRCMXTFOU-QIJUGHKUSA-N 2 1 381.520 3.529 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(CCc3ccccc3)n2)C1 ZINC000652363650 917884524 /nfs/dbraw/zinc/88/45/24/917884524.db2.gz KMRWBMSHRNLADW-NRSPTQNISA-N 2 1 385.577 3.789 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(CCc3ccccc3)n2)C1 ZINC000652363650 917884533 /nfs/dbraw/zinc/88/45/33/917884533.db2.gz KMRWBMSHRNLADW-NRSPTQNISA-N 2 1 385.577 3.789 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001191417093 917992080 /nfs/dbraw/zinc/99/20/80/917992080.db2.gz MRNABDGGRWOJDQ-COXVUDFISA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001191417093 917992097 /nfs/dbraw/zinc/99/20/97/917992097.db2.gz MRNABDGGRWOJDQ-COXVUDFISA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001191417093 917992113 /nfs/dbraw/zinc/99/21/13/917992113.db2.gz MRNABDGGRWOJDQ-COXVUDFISA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653153640 918144004 /nfs/dbraw/zinc/14/40/04/918144004.db2.gz VRBWLTWTWZQGMB-CCKFTAQKSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653153640 918144010 /nfs/dbraw/zinc/14/40/10/918144010.db2.gz VRBWLTWTWZQGMB-CCKFTAQKSA-N 2 1 381.923 3.509 20 0 GHADMP C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775498885 918400950 /nfs/dbraw/zinc/40/09/50/918400950.db2.gz OVRVGNMVUXPVAJ-HFSMHLIXSA-N 2 1 392.465 3.937 20 0 GHADMP C[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775498885 918401027 /nfs/dbraw/zinc/40/10/27/918401027.db2.gz OVRVGNMVUXPVAJ-HFSMHLIXSA-N 2 1 392.465 3.937 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000363619121 918539172 /nfs/dbraw/zinc/53/91/72/918539172.db2.gz KILZZKYVDCMBIG-TZIWHRDSSA-N 2 1 379.504 3.664 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000363619121 918539180 /nfs/dbraw/zinc/53/91/80/918539180.db2.gz KILZZKYVDCMBIG-TZIWHRDSSA-N 2 1 379.504 3.664 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)o1 ZINC000653970073 918656971 /nfs/dbraw/zinc/65/69/71/918656971.db2.gz XKZSRWQLBNBZEA-IBGZPJMESA-N 2 1 383.536 3.716 20 0 GHADMP Cc1ccc2cc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)[nH]c2c1 ZINC000364184259 919212078 /nfs/dbraw/zinc/21/20/78/919212078.db2.gz SLFCRXSEDVMDLG-UHFFFAOYSA-N 2 1 396.579 3.745 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381682494 919469914 /nfs/dbraw/zinc/46/99/14/919469914.db2.gz DIDVJYWAQXNJJA-MSOLQXFVSA-N 2 1 375.557 3.585 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000381682498 919470255 /nfs/dbraw/zinc/47/02/55/919470255.db2.gz DIDVJYWAQXNJJA-QZTJIDSGSA-N 2 1 375.557 3.585 20 0 GHADMP C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382019897 919718890 /nfs/dbraw/zinc/71/88/90/919718890.db2.gz XONNZCPLAXPAPM-HKUYNNGSSA-N 2 1 375.557 3.790 20 0 GHADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)c2ccccc2)n1 ZINC000900008425 919742024 /nfs/dbraw/zinc/74/20/24/919742024.db2.gz HXXROOBMTHJLQV-XZOYJPPVSA-N 2 1 390.531 3.777 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1)CC1CC1 ZINC000800368009 919971158 /nfs/dbraw/zinc/97/11/58/919971158.db2.gz YFTRTQMMBZITJD-UHFFFAOYSA-N 2 1 379.589 3.687 20 0 GHADMP CCO[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@H]1SC ZINC000298261702 920351749 /nfs/dbraw/zinc/35/17/49/920351749.db2.gz FRRDKVSIJDAKQP-PWRODBHTSA-N 2 1 377.598 3.786 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902348437 922109294 /nfs/dbraw/zinc/10/92/94/922109294.db2.gz MHOFWSCBKHUOBC-FQEVSTJZSA-N 2 1 383.527 3.614 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3COc4ccccc4C3)CC2)oc1C ZINC000902799931 922504425 /nfs/dbraw/zinc/50/44/25/922504425.db2.gz HYNAIQKQXDBDNC-LAUBAEHRSA-N 2 1 383.536 3.733 20 0 GHADMP CC1(C)CC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000368589229 922763170 /nfs/dbraw/zinc/76/31/70/922763170.db2.gz IJPHCJQZNHUBEI-KRWDZBQOSA-N 2 1 386.584 3.919 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C(C)(C)C1 ZINC000903214078 922858888 /nfs/dbraw/zinc/85/88/88/922858888.db2.gz WXABRMUTXQSVOZ-ZCTYVAAUSA-N 2 1 377.573 3.769 20 0 GHADMP C[NH+](C)CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccnc1 ZINC000903376557 922973129 /nfs/dbraw/zinc/97/31/29/922973129.db2.gz FJHMHMJGRKHANU-GOTSBHOMSA-N 2 1 378.564 3.861 20 0 GHADMP c1c[nH]c([C@H]([NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc2)n1 ZINC000903456981 923037580 /nfs/dbraw/zinc/03/75/80/923037580.db2.gz ZLWREOQHTJMFLR-GSPCLOLRSA-N 2 1 387.531 3.784 20 0 GHADMP c1c[nH]c([C@H]([NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc2)n1 ZINC000903456981 923037593 /nfs/dbraw/zinc/03/75/93/923037593.db2.gz ZLWREOQHTJMFLR-GSPCLOLRSA-N 2 1 387.531 3.784 20 0 GHADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755540 923258388 /nfs/dbraw/zinc/25/83/88/923258388.db2.gz IVUUDMUKVBLDKF-KBPBESRZSA-N 2 1 389.487 3.500 20 0 GHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000369837032 923662907 /nfs/dbraw/zinc/66/29/07/923662907.db2.gz YROAZRPGMUTRIB-QUCCMNQESA-N 2 1 386.584 3.587 20 0 GHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000369837032 923662919 /nfs/dbraw/zinc/66/29/19/923662919.db2.gz YROAZRPGMUTRIB-QUCCMNQESA-N 2 1 386.584 3.587 20 0 GHADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000676872296 924120945 /nfs/dbraw/zinc/12/09/45/924120945.db2.gz SIDHAXPHZVLRPE-RBUKOAKNSA-N 2 1 385.552 3.692 20 0 GHADMP CC1(C)C[C@H](NC2CC[NH+](Cc3ccncc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677748267 924476113 /nfs/dbraw/zinc/47/61/13/924476113.db2.gz IVELTIFOYPLAET-QHCPKHFHSA-N 2 1 378.564 3.689 20 0 GHADMP CC1(C)C[C@H](NC2CC[NH+](Cc3ccncc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677748267 924476117 /nfs/dbraw/zinc/47/61/17/924476117.db2.gz IVELTIFOYPLAET-QHCPKHFHSA-N 2 1 378.564 3.689 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1[nH]c(C)cc1C)CC2 ZINC001137324231 924678357 /nfs/dbraw/zinc/67/83/57/924678357.db2.gz OVSFCMWTEDCARU-SFHVURJKSA-N 2 1 388.581 3.591 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000678322312 924724024 /nfs/dbraw/zinc/72/40/24/924724024.db2.gz HBSCGQIGWOKUCR-VXKWHMMOSA-N 2 1 384.568 3.709 20 0 GHADMP O=C(Nc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1)c1ccc(Cl)cc1Cl ZINC000678343378 924734498 /nfs/dbraw/zinc/73/44/98/924734498.db2.gz SHORTDIVUCUQJK-GJZGRUSLSA-N 2 1 390.314 3.897 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3n[nH]c4ccccc43)C[C@H]21 ZINC001137348554 924903890 /nfs/dbraw/zinc/90/38/90/924903890.db2.gz BQQTWDLUWINHII-HCLVMJGWSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3n[nH]c4ccccc43)C[C@@H]21 ZINC001137348555 924904320 /nfs/dbraw/zinc/90/43/20/924904320.db2.gz BQQTWDLUWINHII-KPDCDPCYSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccc1F)C1CCN(Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137369213 925087347 /nfs/dbraw/zinc/08/73/47/925087347.db2.gz IBHXPDPUEJBWBD-UHFFFAOYSA-N 2 1 379.483 3.503 20 0 GHADMP C[N@@H+](Cc1ccccc1F)C1CCN(Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137369213 925087357 /nfs/dbraw/zinc/08/73/57/925087357.db2.gz IBHXPDPUEJBWBD-UHFFFAOYSA-N 2 1 379.483 3.503 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679994649 925326165 /nfs/dbraw/zinc/32/61/65/925326165.db2.gz LXKMNPBWFUGJTQ-IIZJSDIPSA-N 2 1 393.934 3.746 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679994649 925326167 /nfs/dbraw/zinc/32/61/67/925326167.db2.gz LXKMNPBWFUGJTQ-IIZJSDIPSA-N 2 1 393.934 3.746 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137399028 925377580 /nfs/dbraw/zinc/37/75/80/925377580.db2.gz ICEJUHVGEODCNW-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP O=c1[nH]c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2[nH]1 ZINC000680335707 925447223 /nfs/dbraw/zinc/44/72/23/925447223.db2.gz VGIXENCFXSBVAI-VAMGGRTRSA-N 2 1 376.504 3.659 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000410362951 925567550 /nfs/dbraw/zinc/56/75/50/925567550.db2.gz DUWUGCLDSHPBBQ-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410373220 925585921 /nfs/dbraw/zinc/58/59/21/925585921.db2.gz WMDVWUSKDTWAIH-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000411383308 926344709 /nfs/dbraw/zinc/34/47/09/926344709.db2.gz DHYGKMNCNWXGIK-JOCHJYFZSA-N 2 1 385.939 3.816 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1cccnc1Cl ZINC000374530461 927251141 /nfs/dbraw/zinc/25/11/41/927251141.db2.gz MHDJNDGCLWHUPN-GOSISDBHSA-N 2 1 386.927 3.564 20 0 GHADMP CC1(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000412304395 927315421 /nfs/dbraw/zinc/31/54/21/927315421.db2.gz AJHWEMWTDHKKKO-UHFFFAOYSA-N 2 1 383.580 3.623 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750982353 927964896 /nfs/dbraw/zinc/96/48/96/927964896.db2.gz WPFPXJFDSLVSDJ-LZBANZJXSA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750982353 927964904 /nfs/dbraw/zinc/96/49/04/927964904.db2.gz WPFPXJFDSLVSDJ-LZBANZJXSA-N 2 1 387.543 3.703 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000751111778 928034880 /nfs/dbraw/zinc/03/48/80/928034880.db2.gz FTIHDFPPTBCMLL-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000467168525 928781368 /nfs/dbraw/zinc/78/13/68/928781368.db2.gz JESMGMHOLHENDU-UHFFFAOYSA-N 2 1 392.931 3.713 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000544198639 928922321 /nfs/dbraw/zinc/92/23/21/928922321.db2.gz RQAPHTGRSGWICZ-QWFCFKBJSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000544198639 928922327 /nfs/dbraw/zinc/92/23/27/928922327.db2.gz RQAPHTGRSGWICZ-QWFCFKBJSA-N 2 1 386.584 3.730 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4cc(F)c(OC)cc43)cc2)CC1 ZINC000467388552 929025474 /nfs/dbraw/zinc/02/54/74/929025474.db2.gz LYJNNZHRRDRPDU-QHCPKHFHSA-N 2 1 397.538 3.749 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)cc1 ZINC000544575552 929302160 /nfs/dbraw/zinc/30/21/60/929302160.db2.gz MOZBWUTUOMIYCO-QHCPKHFHSA-N 2 1 376.504 3.686 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC4CCC5(CC4)OCCO5)CC[C@@H]32)cc1 ZINC000753737028 929508864 /nfs/dbraw/zinc/50/88/64/929508864.db2.gz BFFGZPLWDOXSDN-PKTZIBPZSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@@H]32)cc1 ZINC000753737028 929508871 /nfs/dbraw/zinc/50/88/71/929508871.db2.gz BFFGZPLWDOXSDN-PKTZIBPZSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@@H]32)cc1 ZINC000753737028 929508877 /nfs/dbraw/zinc/50/88/77/929508877.db2.gz BFFGZPLWDOXSDN-PKTZIBPZSA-N 2 1 384.564 3.906 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000469166074 929646336 /nfs/dbraw/zinc/64/63/36/929646336.db2.gz SRJVQAHUHMBXDM-CALCHBBNSA-N 2 1 377.960 3.541 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)oc1C ZINC000545920318 929677447 /nfs/dbraw/zinc/67/74/47/929677447.db2.gz JPIQVCVVHZCCPJ-NJDAHSKKSA-N 2 1 375.557 3.688 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469261225 929744587 /nfs/dbraw/zinc/74/45/87/929744587.db2.gz UWIIKFVGLBLHBY-IBGZPJMESA-N 2 1 386.499 3.594 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469261225 929744591 /nfs/dbraw/zinc/74/45/91/929744591.db2.gz UWIIKFVGLBLHBY-IBGZPJMESA-N 2 1 386.499 3.594 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000546180721 929933325 /nfs/dbraw/zinc/93/33/25/929933325.db2.gz PGLIZDQOIABBQJ-HTAPYJJXSA-N 2 1 399.966 3.758 20 0 GHADMP COC(=O)c1ccccc1OCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469771276 930151661 /nfs/dbraw/zinc/15/16/61/930151661.db2.gz ZDFBJXHCGUORRQ-MOJGAOKDSA-N 2 1 396.531 3.598 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469787786 930162575 /nfs/dbraw/zinc/16/25/75/930162575.db2.gz RHIPGASOOYCKNC-PMACEKPBSA-N 2 1 379.548 3.988 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000469791030 930163748 /nfs/dbraw/zinc/16/37/48/930163748.db2.gz OQVSYAAWNDAEFF-NJYVYQBISA-N 2 1 389.584 3.665 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000469791030 930163750 /nfs/dbraw/zinc/16/37/50/930163750.db2.gz OQVSYAAWNDAEFF-NJYVYQBISA-N 2 1 389.584 3.665 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000759517890 930392032 /nfs/dbraw/zinc/39/20/32/930392032.db2.gz GIUHOKKLUJUYTQ-VXKWHMMOSA-N 2 1 386.584 3.777 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000546747663 930398792 /nfs/dbraw/zinc/39/87/92/930398792.db2.gz YCHKVGMBNSEZGV-SFHLNBCPSA-N 2 1 392.632 3.649 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000470373498 930568900 /nfs/dbraw/zinc/56/89/00/930568900.db2.gz MUXQZHCTRTZRCP-UZLBHIALSA-N 2 1 387.886 3.505 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(C)C ZINC000470491191 930662041 /nfs/dbraw/zinc/66/20/41/930662041.db2.gz DYAHQWBGTUKFGG-UHFFFAOYSA-N 2 1 380.621 3.793 20 0 GHADMP C[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000470668430 930804808 /nfs/dbraw/zinc/80/48/08/930804808.db2.gz OLHSYPDSVBPNHF-JTOWHCCKSA-N 2 1 385.474 3.686 20 0 GHADMP Cc1ccc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c(N2CCCC2)[nH+]1 ZINC000781378249 930822941 /nfs/dbraw/zinc/82/29/41/930822941.db2.gz GPMNLQXAJWYSEK-UHFFFAOYSA-N 2 1 399.583 3.587 20 0 GHADMP C[C@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781403660 930832220 /nfs/dbraw/zinc/83/22/20/930832220.db2.gz ZVFITGSTTZMPBC-GHTZIAJQSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920906 931030375 /nfs/dbraw/zinc/03/03/75/931030375.db2.gz BDHZBCYIPBUTBC-DYVFJYSZSA-N 2 1 394.346 3.993 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000470985088 931076765 /nfs/dbraw/zinc/07/67/65/931076765.db2.gz UDFGLYKKEWHLCK-HNNXBMFYSA-N 2 1 384.351 3.986 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000470985088 931076771 /nfs/dbraw/zinc/07/67/71/931076771.db2.gz UDFGLYKKEWHLCK-HNNXBMFYSA-N 2 1 384.351 3.986 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000470985088 931076779 /nfs/dbraw/zinc/07/67/79/931076779.db2.gz UDFGLYKKEWHLCK-HNNXBMFYSA-N 2 1 384.351 3.986 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000693678424 931200718 /nfs/dbraw/zinc/20/07/18/931200718.db2.gz MQGVJMOBRJVKBP-MTHXSQLBSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)n1 ZINC000924637024 931458333 /nfs/dbraw/zinc/45/83/33/931458333.db2.gz YPNZPGYIUGPJDZ-GOSISDBHSA-N 2 1 375.520 3.929 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000924663093 931466902 /nfs/dbraw/zinc/46/69/02/931466902.db2.gz YCYYNSNBARDUEC-QILAJZQNSA-N 3 1 398.639 3.579 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000924699291 931479172 /nfs/dbraw/zinc/47/91/72/931479172.db2.gz SUUBVFJMHWGXSD-LJQANCHMSA-N 2 1 375.520 3.891 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924722038 931515758 /nfs/dbraw/zinc/51/57/58/931515758.db2.gz JXHNHRABHDEACS-LJQANCHMSA-N 2 1 381.564 3.512 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000783307388 931516415 /nfs/dbraw/zinc/51/64/15/931516415.db2.gz FAZIDYRRGRVZDM-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OCC(F)(F)F ZINC000557521878 931517436 /nfs/dbraw/zinc/51/74/36/931517436.db2.gz REPUXSQKQOODOT-KRWDZBQOSA-N 2 1 386.458 3.800 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)CC2)cs1 ZINC000925030260 931618299 /nfs/dbraw/zinc/61/82/99/931618299.db2.gz HHCHQZCJURVFFP-GHTZIAJQSA-N 2 1 377.598 3.712 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cn4c(n3)CCCC4)CC2)cs1 ZINC000925031871 931619148 /nfs/dbraw/zinc/61/91/48/931619148.db2.gz QIGAAIYWORPHCI-MRXNPFEDSA-N 2 1 387.597 3.801 20 0 GHADMP CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925179481 931691741 /nfs/dbraw/zinc/69/17/41/931691741.db2.gz VNISHLAIQDAEFP-JSNMCINTSA-N 2 1 383.580 3.809 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000557805402 931697018 /nfs/dbraw/zinc/69/70/18/931697018.db2.gz DLBUJFCGKPYDDY-KBXCAEBGSA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000557805402 931697023 /nfs/dbraw/zinc/69/70/23/931697023.db2.gz DLBUJFCGKPYDDY-KBXCAEBGSA-N 2 1 387.337 3.815 20 0 GHADMP [NH3+]CCC[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccccc1 ZINC000925540381 931815838 /nfs/dbraw/zinc/81/58/38/931815838.db2.gz BZAAREZPYQIQNS-HXUWFJFHSA-N 2 1 394.544 3.643 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925557863 931822218 /nfs/dbraw/zinc/82/22/18/931822218.db2.gz QBPGSJMMLDEIDY-POEKJWFMSA-N 2 1 397.607 3.540 20 0 GHADMP C[C@H](C[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000796696101 932032817 /nfs/dbraw/zinc/03/28/17/932032817.db2.gz QWXRCSOALJGVIP-IAGOWNOFSA-N 2 1 376.545 3.623 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000558738379 932202750 /nfs/dbraw/zinc/20/27/50/932202750.db2.gz PJKFITFORRZWAR-FYYLOGMGSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000558738379 932202755 /nfs/dbraw/zinc/20/27/55/932202755.db2.gz PJKFITFORRZWAR-FYYLOGMGSA-N 2 1 382.548 3.625 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000797873362 932439168 /nfs/dbraw/zinc/43/91/68/932439168.db2.gz GQSPWBFYZPSNFT-QFIPXVFZSA-N 2 1 380.536 3.583 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cn1 ZINC000797873361 932439277 /nfs/dbraw/zinc/43/92/77/932439277.db2.gz GQSPWBFYZPSNFT-JOCHJYFZSA-N 2 1 380.536 3.583 20 0 GHADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000559254952 932557154 /nfs/dbraw/zinc/55/71/54/932557154.db2.gz UDPKFZBBGBOSMR-QHCPKHFHSA-N 2 1 382.523 3.717 20 0 GHADMP CCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000798273028 932585814 /nfs/dbraw/zinc/58/58/14/932585814.db2.gz OTNXJJVDDHHDOQ-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP CCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000798273028 932585822 /nfs/dbraw/zinc/58/58/22/932585822.db2.gz OTNXJJVDDHHDOQ-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934045 932821756 /nfs/dbraw/zinc/82/17/56/932821756.db2.gz BQJDRDNHZGEVTF-CVDCTZTESA-N 2 1 375.520 3.830 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000559735986 932826393 /nfs/dbraw/zinc/82/63/93/932826393.db2.gz HBKHFNNUKZXRCK-DHIUTWEWSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000559735986 932826402 /nfs/dbraw/zinc/82/64/02/932826402.db2.gz HBKHFNNUKZXRCK-DHIUTWEWSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000559743573 932831625 /nfs/dbraw/zinc/83/16/25/932831625.db2.gz PYPKHYVFCXXQTQ-KMDXXIMOSA-N 2 1 397.538 3.624 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000559743573 932831633 /nfs/dbraw/zinc/83/16/33/932831633.db2.gz PYPKHYVFCXXQTQ-KMDXXIMOSA-N 2 1 397.538 3.624 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000799177830 932898028 /nfs/dbraw/zinc/89/80/28/932898028.db2.gz GHHJJNHRJPHYLN-HNNXBMFYSA-N 2 1 387.351 3.541 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178749 932899498 /nfs/dbraw/zinc/89/94/98/932899498.db2.gz IEJAYXWTLZSAFM-SFHVURJKSA-N 2 1 383.536 3.760 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000799177574 932899543 /nfs/dbraw/zinc/89/95/43/932899543.db2.gz VSCZXDPDKRFOMY-HNNXBMFYSA-N 2 1 387.351 3.541 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179750 932900893 /nfs/dbraw/zinc/90/08/93/932900893.db2.gz SQQSROLKFVXYNF-HNNXBMFYSA-N 2 1 383.458 3.840 20 0 GHADMP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559894659 932927619 /nfs/dbraw/zinc/92/76/19/932927619.db2.gz SSYBIIJRXJSHLV-UNMCSNQZSA-N 2 1 379.548 3.969 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000559920919 932955899 /nfs/dbraw/zinc/95/58/99/932955899.db2.gz BFVRQHINVQQGMZ-VHYCJAOWSA-N 2 1 391.559 3.820 20 0 GHADMP CC(C)c1ccc(C2(O)CCC([NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000799726670 933100838 /nfs/dbraw/zinc/10/08/38/933100838.db2.gz QXNUTAYHKHZSNY-UHFFFAOYSA-N 2 1 387.612 3.556 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)CC2)cc1 ZINC001115893320 933233957 /nfs/dbraw/zinc/23/39/57/933233957.db2.gz VMNQGOGQHUNBLQ-DEOSSOPVSA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC001115893320 933233960 /nfs/dbraw/zinc/23/39/60/933233960.db2.gz VMNQGOGQHUNBLQ-DEOSSOPVSA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC001115893320 933233966 /nfs/dbraw/zinc/23/39/66/933233966.db2.gz VMNQGOGQHUNBLQ-DEOSSOPVSA-N 2 1 391.559 3.694 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001115914369 933242714 /nfs/dbraw/zinc/24/27/14/933242714.db2.gz ASAHMJFDRWJXMI-YADHBBJMSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC001115995774 933273015 /nfs/dbraw/zinc/27/30/15/933273015.db2.gz XBPYKCHKDGMJLD-LJQANCHMSA-N 2 1 383.540 3.908 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC001115995774 933273020 /nfs/dbraw/zinc/27/30/20/933273020.db2.gz XBPYKCHKDGMJLD-LJQANCHMSA-N 2 1 383.540 3.908 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000560514370 933303629 /nfs/dbraw/zinc/30/36/29/933303629.db2.gz YXAUDAPEGGRHLE-SFHVURJKSA-N 2 1 393.531 3.691 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066817 933315882 /nfs/dbraw/zinc/31/58/82/933315882.db2.gz VBAPZRBQJVTPLD-MOPGFXCFSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066817 933315896 /nfs/dbraw/zinc/31/58/96/933315896.db2.gz VBAPZRBQJVTPLD-MOPGFXCFSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066817 933315903 /nfs/dbraw/zinc/31/59/03/933315903.db2.gz VBAPZRBQJVTPLD-MOPGFXCFSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[N@H+](CCOC1CCSCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929981648 933744613 /nfs/dbraw/zinc/74/46/13/933744613.db2.gz JPZCXSZTAGPSBH-UHFFFAOYSA-N 2 1 392.613 3.686 20 0 GHADMP CCC[N@@H+](CCOC1CCSCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929981648 933744618 /nfs/dbraw/zinc/74/46/18/933744618.db2.gz JPZCXSZTAGPSBH-UHFFFAOYSA-N 2 1 392.613 3.686 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001117713327 933992290 /nfs/dbraw/zinc/99/22/90/933992290.db2.gz JRSAWVSJHKILMZ-DRZANFHZSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561316712 934047528 /nfs/dbraw/zinc/04/75/28/934047528.db2.gz WYQBTWMEDULQGT-TUACAJSNSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561316712 934047538 /nfs/dbraw/zinc/04/75/38/934047538.db2.gz WYQBTWMEDULQGT-TUACAJSNSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561316712 934047548 /nfs/dbraw/zinc/04/75/48/934047548.db2.gz WYQBTWMEDULQGT-TUACAJSNSA-N 2 1 391.559 3.535 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C3CC(OCc4ccccc4)C3)C2)ccn1 ZINC000931095094 934375130 /nfs/dbraw/zinc/37/51/30/934375130.db2.gz WGRDZFKXYBQSHX-RZMWZJFBSA-N 2 1 395.547 3.734 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C3CC(OCc4ccccc4)C3)C2)ccn1 ZINC000931095094 934375138 /nfs/dbraw/zinc/37/51/38/934375138.db2.gz WGRDZFKXYBQSHX-RZMWZJFBSA-N 2 1 395.547 3.734 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C3CC(OCc4ccccc4)C3)C2)ccn1 ZINC000931095094 934375146 /nfs/dbraw/zinc/37/51/46/934375146.db2.gz WGRDZFKXYBQSHX-RZMWZJFBSA-N 2 1 395.547 3.734 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C(F)(F)F ZINC001119943401 934422005 /nfs/dbraw/zinc/42/20/05/934422005.db2.gz PBJMRJMXWWDQHA-NXOAAHMSSA-N 2 1 378.479 3.607 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001120353928 934457350 /nfs/dbraw/zinc/45/73/50/934457350.db2.gz QKQHWVKTYWBSBI-SVFBPWRDSA-N 2 1 377.523 3.606 20 0 GHADMP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1cc2ccccc2s1 ZINC001120531166 934470278 /nfs/dbraw/zinc/47/02/78/934470278.db2.gz AYFUEWTYRPITJH-LZQZEXGQSA-N 2 1 398.576 3.573 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001137945752 935885073 /nfs/dbraw/zinc/88/50/73/935885073.db2.gz XVTVYBLOWCHIME-MIALQEHNSA-N 2 1 395.950 3.709 20 0 GHADMP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001626078724 1014859795 /nfs/dbraw/zinc/85/97/95/1014859795.db2.gz COAIHDHIRYNFHY-NRFANRHFSA-N 2 1 395.547 3.650 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)s1 ZINC000374200260 1015063432 /nfs/dbraw/zinc/06/34/32/1015063432.db2.gz CAMKCECBEVVXFR-UHFFFAOYSA-N 2 1 383.989 3.670 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000468026561 1015162897 /nfs/dbraw/zinc/16/28/97/1015162897.db2.gz VHTHLQKXOIDZIW-NMIHRBCNSA-N 2 1 386.584 3.678 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1 ZINC000468188143 1015381819 /nfs/dbraw/zinc/38/18/19/1015381819.db2.gz UJJGBDIGOFXEIA-UHFFFAOYSA-N 2 1 390.325 3.825 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c2C)cc1 ZINC000468407024 1015675646 /nfs/dbraw/zinc/67/56/46/1015675646.db2.gz BPVIPEYIUBBKSZ-JOCHJYFZSA-N 2 1 396.579 3.721 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)c2C)cc1 ZINC000468407024 1015675649 /nfs/dbraw/zinc/67/56/49/1015675649.db2.gz BPVIPEYIUBBKSZ-JOCHJYFZSA-N 2 1 396.579 3.721 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)c2C)cc1 ZINC000468407024 1015675653 /nfs/dbraw/zinc/67/56/53/1015675653.db2.gz BPVIPEYIUBBKSZ-JOCHJYFZSA-N 2 1 396.579 3.721 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)c2C)cc1 ZINC000468407024 1015675658 /nfs/dbraw/zinc/67/56/58/1015675658.db2.gz BPVIPEYIUBBKSZ-JOCHJYFZSA-N 2 1 396.579 3.721 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2C)cc1 ZINC000468407441 1015676522 /nfs/dbraw/zinc/67/65/22/1015676522.db2.gz FKFBSYMIKGPVAV-QFIPXVFZSA-N 2 1 396.579 3.865 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2C)cc1 ZINC000468407441 1015676526 /nfs/dbraw/zinc/67/65/26/1015676526.db2.gz FKFBSYMIKGPVAV-QFIPXVFZSA-N 2 1 396.579 3.865 20 0 GHADMP C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000468500788 1015757354 /nfs/dbraw/zinc/75/73/54/1015757354.db2.gz LNMZMTUTKAHBBJ-FCHUYYIVSA-N 2 1 399.966 3.624 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)C1CCCCC1 ZINC000545310037 1015762813 /nfs/dbraw/zinc/76/28/13/1015762813.db2.gz SEDOPHQGXOZAAX-SFHVURJKSA-N 2 1 377.598 3.731 20 0 GHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000545310037 1015762817 /nfs/dbraw/zinc/76/28/17/1015762817.db2.gz SEDOPHQGXOZAAX-SFHVURJKSA-N 2 1 377.598 3.731 20 0 GHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000545310037 1015762824 /nfs/dbraw/zinc/76/28/24/1015762824.db2.gz SEDOPHQGXOZAAX-SFHVURJKSA-N 2 1 377.598 3.731 20 0 GHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cccc21 ZINC000468873647 1016150526 /nfs/dbraw/zinc/15/05/26/1016150526.db2.gz GBJVPMUOMRODIT-NHCUHLMSSA-N 2 1 379.504 3.675 20 0 GHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cccc21 ZINC000468873647 1016150530 /nfs/dbraw/zinc/15/05/30/1016150530.db2.gz GBJVPMUOMRODIT-NHCUHLMSSA-N 2 1 379.504 3.675 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000469090393 1016456251 /nfs/dbraw/zinc/45/62/51/1016456251.db2.gz UBYXRXVGTRFYLR-UHFFFAOYSA-N 2 1 385.418 3.561 20 0 GHADMP CC1=CC[N@H+](CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000545864472 1016540766 /nfs/dbraw/zinc/54/07/66/1016540766.db2.gz VZJNDPYEWBOQNV-UHFFFAOYSA-N 2 1 381.524 3.828 20 0 GHADMP CC1=CC[N@@H+](CCNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000545864472 1016540777 /nfs/dbraw/zinc/54/07/77/1016540777.db2.gz VZJNDPYEWBOQNV-UHFFFAOYSA-N 2 1 381.524 3.828 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000470143123 1016735984 /nfs/dbraw/zinc/73/59/84/1016735984.db2.gz JGGQSRVWYICISZ-BPUDTRNYSA-N 2 1 380.532 3.760 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC001220877344 1032166500 /nfs/dbraw/zinc/16/65/00/1032166500.db2.gz SAXUFORYDUOZGZ-SIKLNZKXSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001220877344 1032166511 /nfs/dbraw/zinc/16/65/11/1032166511.db2.gz SAXUFORYDUOZGZ-SIKLNZKXSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC001220877344 1032166512 /nfs/dbraw/zinc/16/65/12/1032166512.db2.gz SAXUFORYDUOZGZ-SIKLNZKXSA-N 2 1 386.584 3.685 20 0 GHADMP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001221068883 1032265575 /nfs/dbraw/zinc/26/55/75/1032265575.db2.gz HTSQGGMWMPSFJO-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H](Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001154985904 1032368611 /nfs/dbraw/zinc/36/86/11/1032368611.db2.gz DYLHXJXAYYTOEN-HUUCEWRRSA-N 2 1 385.581 3.848 20 0 GHADMP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001221407667 1032401960 /nfs/dbraw/zinc/40/19/60/1032401960.db2.gz DAFUZDNOYKPLJF-LEWJYISDSA-N 2 1 389.971 3.761 20 0 GHADMP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001221407670 1032402157 /nfs/dbraw/zinc/40/21/57/1032402157.db2.gz DAFUZDNOYKPLJF-SFTDATJTSA-N 2 1 389.971 3.761 20 0 GHADMP CC(C)(C)c1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155357912 1032516084 /nfs/dbraw/zinc/51/60/84/1032516084.db2.gz KKWHNNJXERSCDL-HXUWFJFHSA-N 2 1 393.579 3.688 20 0 GHADMP Cc1ccc(Cl)nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357718 1032516473 /nfs/dbraw/zinc/51/64/73/1032516473.db2.gz IXSPZEXUJXLUGF-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP CCCc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C)n1 ZINC001155364753 1032521126 /nfs/dbraw/zinc/52/11/26/1032521126.db2.gz XDBXWYRNLKTCEB-OAQYLSRUSA-N 2 1 393.579 3.651 20 0 GHADMP CCCc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C)[nH+]1 ZINC001155364753 1032521129 /nfs/dbraw/zinc/52/11/29/1032521129.db2.gz XDBXWYRNLKTCEB-OAQYLSRUSA-N 3 1 393.579 3.651 20 0 GHADMP CCCc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C)[nH+]1 ZINC001155364753 1032521135 /nfs/dbraw/zinc/52/11/35/1032521135.db2.gz XDBXWYRNLKTCEB-OAQYLSRUSA-N 3 1 393.579 3.651 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001221794400 1032537459 /nfs/dbraw/zinc/53/74/59/1032537459.db2.gz LNJDIUHWTZOKAJ-KSEOMHKRSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001221794400 1032537469 /nfs/dbraw/zinc/53/74/69/1032537469.db2.gz LNJDIUHWTZOKAJ-KSEOMHKRSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001221794400 1032537471 /nfs/dbraw/zinc/53/74/71/1032537471.db2.gz LNJDIUHWTZOKAJ-KSEOMHKRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)C1 ZINC000559896200 1017512387 /nfs/dbraw/zinc/51/23/87/1017512387.db2.gz QMTQZTGEGOWFQQ-UDKICSLYSA-N 2 1 392.609 3.610 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001204268995 1032711598 /nfs/dbraw/zinc/71/15/98/1032711598.db2.gz RXBGLIGZIYCJJQ-FQEVSTJZSA-N 2 1 390.474 3.949 20 0 GHADMP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563389905 1018909421 /nfs/dbraw/zinc/90/94/21/1018909421.db2.gz KBXRGWVENBDUBF-QHCPKHFHSA-N 2 1 379.548 3.527 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159689 1019170039 /nfs/dbraw/zinc/17/00/39/1019170039.db2.gz ACSMWLDTUAIZON-RBBKRZOGSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159689 1019170046 /nfs/dbraw/zinc/17/00/46/1019170046.db2.gz ACSMWLDTUAIZON-RBBKRZOGSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159689 1019170053 /nfs/dbraw/zinc/17/00/53/1019170053.db2.gz ACSMWLDTUAIZON-RBBKRZOGSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159689 1019170059 /nfs/dbraw/zinc/17/00/59/1019170059.db2.gz ACSMWLDTUAIZON-RBBKRZOGSA-N 2 1 399.604 3.716 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000567364866 1019286215 /nfs/dbraw/zinc/28/62/15/1019286215.db2.gz WUQFNCXRQMIWQV-SJBKTWHCSA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000567364866 1019286221 /nfs/dbraw/zinc/28/62/21/1019286221.db2.gz WUQFNCXRQMIWQV-SJBKTWHCSA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000567364866 1019286231 /nfs/dbraw/zinc/28/62/31/1019286231.db2.gz WUQFNCXRQMIWQV-SJBKTWHCSA-N 2 1 397.588 3.769 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccco1 ZINC001228191862 1032832934 /nfs/dbraw/zinc/83/29/34/1032832934.db2.gz SNGVACBUSAUCOF-TYPHKJRUSA-N 2 1 398.551 3.591 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000576444956 1020013674 /nfs/dbraw/zinc/01/36/74/1020013674.db2.gz ANWYCUSGJKMMQW-QAPCUYQASA-N 2 1 395.519 3.989 20 0 GHADMP CC(C)N(CCC[NH3+])c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001156124127 1032889372 /nfs/dbraw/zinc/88/93/72/1032889372.db2.gz NOOPSFDABBWNHC-UHFFFAOYSA-N 2 1 387.597 3.730 20 0 GHADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961798 1020785401 /nfs/dbraw/zinc/78/54/01/1020785401.db2.gz ILVFVKJOQZCKDC-UZLBHIALSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961798 1020785411 /nfs/dbraw/zinc/78/54/11/1020785411.db2.gz ILVFVKJOQZCKDC-UZLBHIALSA-N 2 1 397.485 3.689 20 0 GHADMP [NH3+]C1(CC(=O)N(CCC(F)(F)F)CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638043194 1021034104 /nfs/dbraw/zinc/03/41/04/1021034104.db2.gz WNJUEFIWZBXNFP-UHFFFAOYSA-N 2 1 397.485 3.561 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638972537 1021058950 /nfs/dbraw/zinc/05/89/50/1021058950.db2.gz UNKTZYVVRLOPEC-HXUWFJFHSA-N 2 1 397.469 3.760 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638972537 1021058957 /nfs/dbraw/zinc/05/89/57/1021058957.db2.gz UNKTZYVVRLOPEC-HXUWFJFHSA-N 2 1 397.469 3.760 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1cc(C)c(C)o1)CC2 ZINC001204534671 1032956081 /nfs/dbraw/zinc/95/60/81/1032956081.db2.gz XBLAXNBWQCZNSG-NRFANRHFSA-N 2 1 390.568 3.626 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cccc(O)c13)CC2 ZINC001140234660 1021209367 /nfs/dbraw/zinc/20/93/67/1021209367.db2.gz VUGFQSNLHSWVPV-GOSISDBHSA-N 2 1 395.503 3.722 20 0 GHADMP c1cn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000834508280 1021231894 /nfs/dbraw/zinc/23/18/94/1021231894.db2.gz KQEGERYHSUAFRH-RJGXRXQPSA-N 2 1 387.531 3.800 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC(C)(C)c3ccccc3)CC2)CC1 ZINC000654598000 1021280534 /nfs/dbraw/zinc/28/05/34/1021280534.db2.gz MTEIEHLCJKRVDL-UHFFFAOYSA-N 2 1 385.596 3.667 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3nc(Br)cs3)CC2)nc(C)[nH+]1 ZINC000834615878 1021318647 /nfs/dbraw/zinc/31/86/47/1021318647.db2.gz JNGVTGPLIOBBOE-LLVKDONJSA-N 2 1 396.358 3.632 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(-c5cncnc5)cc4)C[C@@H]3C2)c1 ZINC001140353157 1021476904 /nfs/dbraw/zinc/47/69/04/1021476904.db2.gz ZUNIRFQPRQDJHS-NHCUHLMSSA-N 2 1 376.529 3.769 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001140391241 1021549666 /nfs/dbraw/zinc/54/96/66/1021549666.db2.gz REYJQZQBDRWTGY-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccc(Cl)cc1 ZINC001140391673 1021550168 /nfs/dbraw/zinc/55/01/68/1021550168.db2.gz ULSHPAXBLGPIDB-LJQANCHMSA-N 2 1 377.960 3.715 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1-c1nccs1)C2 ZINC001140451040 1021739199 /nfs/dbraw/zinc/73/91/99/1021739199.db2.gz HDPBLBZIGXXWFT-REWPJTCUSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1-c1nccs1)C2 ZINC001140451040 1021739210 /nfs/dbraw/zinc/73/92/10/1021739210.db2.gz HDPBLBZIGXXWFT-REWPJTCUSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1-c1nccs1)C2 ZINC001140451040 1021739226 /nfs/dbraw/zinc/73/92/26/1021739226.db2.gz HDPBLBZIGXXWFT-REWPJTCUSA-N 2 1 397.588 3.990 20 0 GHADMP COc1cc(F)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001140476892 1021772723 /nfs/dbraw/zinc/77/27/23/1021772723.db2.gz BSQDGYRBGLIIJC-IBGZPJMESA-N 2 1 388.483 3.683 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C1)C2 ZINC001140804760 1022577561 /nfs/dbraw/zinc/57/75/61/1022577561.db2.gz DGIYSEAZVPTWDX-UZUQRXQVSA-N 2 1 375.472 3.658 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C1)C2 ZINC001140804760 1022577567 /nfs/dbraw/zinc/57/75/67/1022577567.db2.gz DGIYSEAZVPTWDX-UZUQRXQVSA-N 2 1 375.472 3.658 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001140971162 1023041200 /nfs/dbraw/zinc/04/12/00/1023041200.db2.gz KFFKXZWDHAZBHQ-HSZRJFAPSA-N 2 1 379.548 3.620 20 0 GHADMP C[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)CC[NH2+]1 ZINC001156699587 1033193125 /nfs/dbraw/zinc/19/31/25/1033193125.db2.gz FVIVTABCDWQBDS-JKSUJKDBSA-N 2 1 399.608 3.600 20 0 GHADMP Fc1ccc(COc2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)cc1 ZINC001138251392 1024469049 /nfs/dbraw/zinc/46/90/49/1024469049.db2.gz MGFGAYKVQINYHK-UHFFFAOYSA-N 2 1 397.538 3.618 20 0 GHADMP FC(F)(F)c1ccc(CN2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001205026764 1033218449 /nfs/dbraw/zinc/21/84/49/1033218449.db2.gz YIJLNMOSLBCATI-UHFFFAOYSA-N 2 1 395.494 3.730 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001141312474 1024507024 /nfs/dbraw/zinc/50/70/24/1024507024.db2.gz CZHBZTAKOCASHP-UHFFFAOYSA-N 2 1 391.544 3.681 20 0 GHADMP COc1ccsc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001141324520 1024556481 /nfs/dbraw/zinc/55/64/81/1024556481.db2.gz JXMNLJBKAAZVLZ-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP Cc1cc(Br)c(C[NH+]2CCC(C[NH3+])CC2)c(Br)c1 ZINC001205053603 1033228205 /nfs/dbraw/zinc/22/82/05/1033228205.db2.gz QSBRIDVPVQGILY-UHFFFAOYSA-N 2 1 376.136 3.691 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(-c4ccsc4)c3)CC2)CC1 ZINC001141386764 1024824808 /nfs/dbraw/zinc/82/48/08/1024824808.db2.gz VSNSYSUYJLDUOQ-UHFFFAOYSA-N 2 1 383.561 3.577 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@H]3C2)c1 ZINC001141405036 1024914156 /nfs/dbraw/zinc/91/41/56/1024914156.db2.gz BRDAJSXHRUOONA-BGYRXZFFSA-N 2 1 398.572 3.870 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@H]3C2)c1 ZINC001141405036 1024914160 /nfs/dbraw/zinc/91/41/60/1024914160.db2.gz BRDAJSXHRUOONA-BGYRXZFFSA-N 2 1 398.572 3.870 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(OC5CCOCC5)cc4)C[C@H]3C2)c1 ZINC001141405036 1024914166 /nfs/dbraw/zinc/91/41/66/1024914166.db2.gz BRDAJSXHRUOONA-BGYRXZFFSA-N 2 1 398.572 3.870 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(OC5CCOCC5)cc4)C[C@H]3C2)c1 ZINC001141405036 1024914167 /nfs/dbraw/zinc/91/41/67/1024914167.db2.gz BRDAJSXHRUOONA-BGYRXZFFSA-N 2 1 398.572 3.870 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138550170 1024998232 /nfs/dbraw/zinc/99/82/32/1024998232.db2.gz MKTWXZBJSXYACY-HXUWFJFHSA-N 2 1 378.476 3.628 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138550170 1024998241 /nfs/dbraw/zinc/99/82/41/1024998241.db2.gz MKTWXZBJSXYACY-HXUWFJFHSA-N 2 1 378.476 3.628 20 0 GHADMP c1ccc(N2CCCC2)c(CN2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001138611783 1025103560 /nfs/dbraw/zinc/10/35/60/1025103560.db2.gz FLPVOBWIYAXZQU-LADGPHEKSA-N 2 1 383.580 3.610 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc(SC)nc2)CC3)c1 ZINC001138703228 1025228958 /nfs/dbraw/zinc/22/89/58/1025228958.db2.gz LCIIVZUWIOZWSC-UHFFFAOYSA-N 2 1 398.576 3.695 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC001138772625 1025342902 /nfs/dbraw/zinc/34/29/02/1025342902.db2.gz UQUIEAIVYGEPKF-HSZRJFAPSA-N 2 1 384.520 3.679 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCc3ccccc3[C@H]2C)c1C ZINC001141564955 1025564765 /nfs/dbraw/zinc/56/47/65/1025564765.db2.gz RKMXXLWTAOWBCI-LJQANCHMSA-N 2 1 396.579 3.822 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCc3ccccc3[C@H]2C)c1C ZINC001141564955 1025564773 /nfs/dbraw/zinc/56/47/73/1025564773.db2.gz RKMXXLWTAOWBCI-LJQANCHMSA-N 2 1 396.579 3.822 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1C ZINC001141572848 1025617882 /nfs/dbraw/zinc/61/78/82/1025617882.db2.gz ARXPIOKZTPUQLX-FPOVZHCZSA-N 2 1 388.600 3.858 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)CCc2ccc(C)cc2)c1C ZINC001141573333 1025618481 /nfs/dbraw/zinc/61/84/81/1025618481.db2.gz VKFNSHKKIYRZPM-UHFFFAOYSA-N 2 1 398.595 3.686 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)[C@H]2CCc3ccccc32)c1C ZINC001141577498 1025671767 /nfs/dbraw/zinc/67/17/67/1025671767.db2.gz HRJOTKXFUZOQNC-QFIPXVFZSA-N 2 1 396.579 3.822 20 0 GHADMP COCCn1ccc2c1nc[nH+]c2N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001162235786 1025684233 /nfs/dbraw/zinc/68/42/33/1025684233.db2.gz IWMPNOCNNVQNBR-FQEVSTJZSA-N 2 1 397.498 3.760 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000839181491 1025692482 /nfs/dbraw/zinc/69/24/82/1025692482.db2.gz IVZZNKZIHBKHIN-UAFMIMERSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]C/C=C\c2ccc(F)cc2F)[C@H](c2ccccc2)C1 ZINC001461034064 1069348824 /nfs/dbraw/zinc/34/88/24/1069348824.db2.gz DLQQKZXECJZPOT-IRIZWXGVSA-N 2 1 385.502 3.946 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC001461042576 1069355867 /nfs/dbraw/zinc/35/58/67/1069355867.db2.gz DAWVHQXQLJJDSP-JRGCBEDISA-N 2 1 376.516 3.642 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(-n3c4ccccc4nc3[C@@H](C)[NH3+])c2c1C ZINC001162763612 1025910271 /nfs/dbraw/zinc/91/02/71/1025910271.db2.gz RBFXVLUNQFRZAV-GFCCVEGCSA-N 2 1 380.521 3.728 20 0 GHADMP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@]3(C1)COCCN(C(C)C)C3)cn2C ZINC001139146680 1025960802 /nfs/dbraw/zinc/96/08/02/1025960802.db2.gz PUOXWXLUFSSCCA-HSZRJFAPSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1CCC[C@]3(C1)COCCN(C(C)C)C3)cn2C ZINC001139146680 1025960807 /nfs/dbraw/zinc/96/08/07/1025960807.db2.gz PUOXWXLUFSSCCA-HSZRJFAPSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[N@@H+]1CCC[C@]3(C1)COCC[NH+](C(C)C)C3)cn2C ZINC001139146680 1025960811 /nfs/dbraw/zinc/96/08/11/1025960811.db2.gz PUOXWXLUFSSCCA-HSZRJFAPSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1CCC[C@]3(C1)COCC[NH+](C(C)C)C3)cn2C ZINC001139146680 1025960813 /nfs/dbraw/zinc/96/08/13/1025960813.db2.gz PUOXWXLUFSSCCA-HSZRJFAPSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1CCC[C@]3(C1)COCC[N@@H+](C(C)C)C3)cn2C ZINC001139146680 1025960819 /nfs/dbraw/zinc/96/08/19/1025960819.db2.gz PUOXWXLUFSSCCA-HSZRJFAPSA-N 2 1 385.552 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1CCC[C@]3(C1)COCC[N@H+](C(C)C)C3)cn2C ZINC001139146680 1025960823 /nfs/dbraw/zinc/96/08/23/1025960823.db2.gz PUOXWXLUFSSCCA-HSZRJFAPSA-N 2 1 385.552 3.510 20 0 GHADMP CC(C)Oc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001162927306 1025969834 /nfs/dbraw/zinc/96/98/34/1025969834.db2.gz AGHUPPRDXURJKJ-OAQYLSRUSA-N 2 1 394.563 3.783 20 0 GHADMP CC(C)c1nccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162932724 1025971308 /nfs/dbraw/zinc/97/13/08/1025971308.db2.gz ITJKXFGFTNVKKB-FQEVSTJZSA-N 2 1 379.552 3.514 20 0 GHADMP CC(C)Oc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccn1 ZINC001162935599 1025973862 /nfs/dbraw/zinc/97/38/62/1025973862.db2.gz TVHXYDQAAIFDBW-OAQYLSRUSA-N 2 1 394.563 3.783 20 0 GHADMP CC(C)(C)c1ncncc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941605 1025978551 /nfs/dbraw/zinc/97/85/51/1025978551.db2.gz XJGXYQJXOFMKCA-HXUWFJFHSA-N 2 1 393.579 3.688 20 0 GHADMP O=C(Nc1ccccc1)Nc1cc[nH+]c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162959014 1025987279 /nfs/dbraw/zinc/98/72/79/1025987279.db2.gz VKNGSULGIPHUGP-LJQANCHMSA-N 2 1 395.507 3.686 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCc3ccccc3CC2)CC1 ZINC001461049814 1069361103 /nfs/dbraw/zinc/36/11/03/1069361103.db2.gz ILPUUOFHLDIRCZ-UHFFFAOYSA-N 2 1 377.576 3.861 20 0 GHADMP C[N@H+](Cc1ccc(-n2cncn2)cc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139333947 1026194567 /nfs/dbraw/zinc/19/45/67/1026194567.db2.gz IDXDHBZCYONLCE-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001139361542 1026235948 /nfs/dbraw/zinc/23/59/48/1026235948.db2.gz MACKHIYGOWCOEU-XZOQPEGZSA-N 2 1 383.580 3.779 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001139423504 1026295558 /nfs/dbraw/zinc/29/55/58/1026295558.db2.gz YWPLELVGLSNVPK-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001139423504 1026295569 /nfs/dbraw/zinc/29/55/69/1026295569.db2.gz YWPLELVGLSNVPK-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001139423504 1026295572 /nfs/dbraw/zinc/29/55/72/1026295572.db2.gz YWPLELVGLSNVPK-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001139423504 1026295582 /nfs/dbraw/zinc/29/55/82/1026295582.db2.gz YWPLELVGLSNVPK-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP C[C@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001139513796 1026369844 /nfs/dbraw/zinc/36/98/44/1026369844.db2.gz DZSGNXMXYHPVGK-NRFANRHFSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001139513796 1026369850 /nfs/dbraw/zinc/36/98/50/1026369850.db2.gz DZSGNXMXYHPVGK-NRFANRHFSA-N 2 1 391.559 3.810 20 0 GHADMP COC[C@@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139514542 1026370844 /nfs/dbraw/zinc/37/08/44/1026370844.db2.gz KAWVDHDMHVDUDJ-QHCPKHFHSA-N 2 1 379.548 3.620 20 0 GHADMP C[NH+]1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2)CC1 ZINC001164493331 1026531054 /nfs/dbraw/zinc/53/10/54/1026531054.db2.gz RUHOCNMJYCGVOL-FTBPSBKWSA-N 2 1 390.575 3.761 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001139709710 1026553628 /nfs/dbraw/zinc/55/36/28/1026553628.db2.gz IQSPUEQLKBUBPN-OAQYLSRUSA-N 2 1 395.547 3.660 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001139714074 1026557461 /nfs/dbraw/zinc/55/74/61/1026557461.db2.gz PZXOVTPAJLSTIF-UHFFFAOYSA-N 2 1 395.547 3.519 20 0 GHADMP CN(C[C@@H]1CC[NH2+]C1)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001165123593 1026618380 /nfs/dbraw/zinc/61/83/80/1026618380.db2.gz AIOGATZMALISHA-MRXNPFEDSA-N 2 1 399.608 3.602 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC001165241857 1026676627 /nfs/dbraw/zinc/67/66/27/1026676627.db2.gz FXUAJKQXKJIASX-OAQYLSRUSA-N 2 1 387.597 3.730 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001139886392 1026702061 /nfs/dbraw/zinc/70/20/61/1026702061.db2.gz SYGFIXPAAJZJMM-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001139886392 1026702068 /nfs/dbraw/zinc/70/20/68/1026702068.db2.gz SYGFIXPAAJZJMM-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP Clc1ncnc2[nH]cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c21 ZINC001139943446 1026750224 /nfs/dbraw/zinc/75/02/24/1026750224.db2.gz BXQXIJMRGCWENV-MSOLQXFVSA-N 2 1 395.938 3.907 20 0 GHADMP Clc1ncnc2[nH]cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)c21 ZINC001139943446 1026750233 /nfs/dbraw/zinc/75/02/33/1026750233.db2.gz BXQXIJMRGCWENV-MSOLQXFVSA-N 2 1 395.938 3.907 20 0 GHADMP Clc1ncnc2[nH]cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c21 ZINC001139943446 1026750242 /nfs/dbraw/zinc/75/02/42/1026750242.db2.gz BXQXIJMRGCWENV-MSOLQXFVSA-N 2 1 395.938 3.907 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001139944366 1026750514 /nfs/dbraw/zinc/75/05/14/1026750514.db2.gz BYKNOKBEUXFTGR-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001140025887 1026813801 /nfs/dbraw/zinc/81/38/01/1026813801.db2.gz FWHUQIXTYZRQQF-ICSRJNTNSA-N 2 1 396.535 3.870 20 0 GHADMP Oc1ccc(CN2CCC3(CC2)CN(Cc2ccoc2)CCO3)c(Cl)c1 ZINC001140081795 1026860194 /nfs/dbraw/zinc/86/01/94/1026860194.db2.gz DJRVTASWIRMCNJ-UHFFFAOYSA-N 2 1 376.884 3.506 20 0 GHADMP COc1cc(Br)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)cc1O ZINC001140122307 1026901604 /nfs/dbraw/zinc/90/16/04/1026901604.db2.gz PUFPSECWBWZZDN-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP COc1cc(Br)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1O ZINC001140122307 1026901608 /nfs/dbraw/zinc/90/16/08/1026901608.db2.gz PUFPSECWBWZZDN-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCCN1c1ccccc1F ZINC001166996508 1027188069 /nfs/dbraw/zinc/18/80/69/1027188069.db2.gz FITXAUZVVVNIFA-QFIPXVFZSA-N 2 1 387.543 3.909 20 0 GHADMP CC1(C)C[N@@H+](CN2CCSC2=S)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000840107568 1027201718 /nfs/dbraw/zinc/20/17/18/1027201718.db2.gz LPWCWCFBTCCAKK-LJQANCHMSA-N 2 1 389.634 3.900 20 0 GHADMP Fc1cc(Br)cc(Cl)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266622 1027413898 /nfs/dbraw/zinc/41/38/98/1027413898.db2.gz MPQYINRUCVUHKV-UHFFFAOYSA-N 2 1 385.668 3.790 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001210495035 1027533329 /nfs/dbraw/zinc/53/33/29/1027533329.db2.gz YSAOKWQUOVLJEM-RBUKOAKNSA-N 2 1 390.572 3.649 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001203795040 1027609785 /nfs/dbraw/zinc/60/97/85/1027609785.db2.gz MXPNFOBXRYXRFR-CZTZKLFOSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001203795040 1027609792 /nfs/dbraw/zinc/60/97/92/1027609792.db2.gz MXPNFOBXRYXRFR-CZTZKLFOSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001203795040 1027609798 /nfs/dbraw/zinc/60/97/98/1027609798.db2.gz MXPNFOBXRYXRFR-CZTZKLFOSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001203795040 1027609804 /nfs/dbraw/zinc/60/98/04/1027609804.db2.gz MXPNFOBXRYXRFR-CZTZKLFOSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(Oc2cccc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)c2)cc1 ZINC001203817982 1027628913 /nfs/dbraw/zinc/62/89/13/1027628913.db2.gz IBBIFYDDZWWRIG-UHFFFAOYSA-N 2 1 395.547 3.699 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1OC ZINC001203834827 1027643815 /nfs/dbraw/zinc/64/38/15/1027643815.db2.gz GMWNSBSPWHWEHP-UHFFFAOYSA-N 2 1 395.547 3.975 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203914345 1027704036 /nfs/dbraw/zinc/70/40/36/1027704036.db2.gz RMBPRHSIWMNWTC-JOCHJYFZSA-N 2 1 390.543 3.555 20 0 GHADMP Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1OCC[NH+](C)C ZINC001141971753 1027778127 /nfs/dbraw/zinc/77/81/27/1027778127.db2.gz QJBRMRBQPCHXSX-NRFANRHFSA-N 2 1 395.547 3.786 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)C1 ZINC001203997691 1027795064 /nfs/dbraw/zinc/79/50/64/1027795064.db2.gz WAKMRQQJNNZULT-IBGZPJMESA-N 2 1 396.531 3.698 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)C1 ZINC001203997691 1027795076 /nfs/dbraw/zinc/79/50/76/1027795076.db2.gz WAKMRQQJNNZULT-IBGZPJMESA-N 2 1 396.531 3.698 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccsc1 ZINC001211237199 1027852281 /nfs/dbraw/zinc/85/22/81/1027852281.db2.gz RRAPUTYYSZNCIO-WSTZPKSXSA-N 2 1 394.629 3.798 20 0 GHADMP CC(C)[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC001211244881 1027855315 /nfs/dbraw/zinc/85/53/15/1027855315.db2.gz MDHUBSBTYSSQEA-NHCUHLMSSA-N 2 1 380.621 3.697 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001211294274 1027896488 /nfs/dbraw/zinc/89/64/88/1027896488.db2.gz ABLCVINGEFSYSB-URVUXULASA-N 2 1 388.600 3.879 20 0 GHADMP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000840862985 1027899035 /nfs/dbraw/zinc/89/90/35/1027899035.db2.gz DCQZKLMMBNPHPR-ODAXIHTASA-N 2 1 393.531 3.892 20 0 GHADMP C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840865730 1027901802 /nfs/dbraw/zinc/90/18/02/1027901802.db2.gz VFMSEARLGKMRTR-NYVOZVTQSA-N 2 1 381.520 3.607 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000841057442 1028077612 /nfs/dbraw/zinc/07/76/12/1028077612.db2.gz MXOHXFJKMKVGEO-UHFFFAOYSA-N 2 1 391.519 3.878 20 0 GHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001461349152 1069512595 /nfs/dbraw/zinc/51/25/95/1069512595.db2.gz ZHDICGKCXDXZAS-SJORKVTESA-N 2 1 387.749 3.570 20 0 GHADMP CCn1cc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)c(C)n1 ZINC001461400464 1069534458 /nfs/dbraw/zinc/53/44/58/1069534458.db2.gz IWWCBONZKAFWKX-KDURUIRLSA-N 2 1 384.568 3.510 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000841432351 1028619572 /nfs/dbraw/zinc/61/95/72/1028619572.db2.gz PKFHVMNVGZZVLK-LADGPHEKSA-N 2 1 379.548 3.708 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001142359353 1028742701 /nfs/dbraw/zinc/74/27/01/1028742701.db2.gz KQLOXWDPHWLILS-DHIUTWEWSA-N 2 1 383.580 3.546 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)C1 ZINC001142388431 1028800463 /nfs/dbraw/zinc/80/04/63/1028800463.db2.gz WAURINRQSIUMDG-FQEVSTJZSA-N 2 1 380.532 3.998 20 0 GHADMP CN(C)C(=O)c1ccccc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000841856251 1028978954 /nfs/dbraw/zinc/97/89/54/1028978954.db2.gz LZSDPYSIHVJJSO-UHFFFAOYSA-N 2 1 394.563 3.779 20 0 GHADMP C[C@@]1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898292 1028994101 /nfs/dbraw/zinc/99/41/01/1028994101.db2.gz MCIHYHGIEFYUIZ-UPVQGACJSA-N 2 1 394.563 3.678 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001142556397 1029056478 /nfs/dbraw/zinc/05/64/78/1029056478.db2.gz KQYGONPZZPOKPM-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001142556397 1029056493 /nfs/dbraw/zinc/05/64/93/1029056493.db2.gz KQYGONPZZPOKPM-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001142556397 1029056509 /nfs/dbraw/zinc/05/65/09/1029056509.db2.gz KQYGONPZZPOKPM-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccnc3[nH]ccc31)CC2 ZINC001142874488 1029620956 /nfs/dbraw/zinc/62/09/56/1029620956.db2.gz VRTKZAGFDXBFLV-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccccc1C(F)(F)F ZINC001143145395 1029867956 /nfs/dbraw/zinc/86/79/56/1029867956.db2.gz JWJKSKAMCVKRNK-YUIUBULTSA-N 2 1 397.485 3.593 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364778 1029942583 /nfs/dbraw/zinc/94/25/83/1029942583.db2.gz RTBJPNXMIBKMAP-QFIPXVFZSA-N 2 1 393.531 3.841 20 0 GHADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363826 1029942668 /nfs/dbraw/zinc/94/26/68/1029942668.db2.gz CJPKTJKIAQGRSR-KGLIPLIRSA-N 2 1 386.565 3.658 20 0 GHADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363826 1029942674 /nfs/dbraw/zinc/94/26/74/1029942674.db2.gz CJPKTJKIAQGRSR-KGLIPLIRSA-N 2 1 386.565 3.658 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843385711 1029953365 /nfs/dbraw/zinc/95/33/65/1029953365.db2.gz FBLKXBLNWRIYDH-CABCVRRESA-N 2 1 383.508 3.651 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843385713 1029954055 /nfs/dbraw/zinc/95/40/55/1029954055.db2.gz FBLKXBLNWRIYDH-HUUCEWRRSA-N 2 1 383.508 3.651 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1-n1cnc(C)c1 ZINC001222167362 1029984422 /nfs/dbraw/zinc/98/44/22/1029984422.db2.gz KVXQKUPEWDMRSS-HSZRJFAPSA-N 2 1 382.552 3.935 20 0 GHADMP CC(C)Oc1ccc(-c2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001222407860 1030112573 /nfs/dbraw/zinc/11/25/73/1030112573.db2.gz PFCYYMBVTJEYJR-UHFFFAOYSA-N 2 1 395.547 3.738 20 0 GHADMP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC001149519404 1030204890 /nfs/dbraw/zinc/20/48/90/1030204890.db2.gz QFEMRXOJHXQHSU-FGZHOGPDSA-N 2 1 383.580 3.764 20 0 GHADMP COc1cccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222573731 1030205846 /nfs/dbraw/zinc/20/58/46/1030205846.db2.gz CKVLRKUYLVHJHX-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP c1nc2cc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccc2[nH]1 ZINC001222574600 1030205993 /nfs/dbraw/zinc/20/59/93/1030205993.db2.gz IAPKCHCKLYNHAI-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP c1nc2ccc(C[N@@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc2[nH]1 ZINC001222574600 1030206008 /nfs/dbraw/zinc/20/60/08/1030206008.db2.gz IAPKCHCKLYNHAI-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP c1nc2ccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc2[nH]1 ZINC001222574600 1030206022 /nfs/dbraw/zinc/20/60/22/1030206022.db2.gz IAPKCHCKLYNHAI-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP COc1cccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1N ZINC001222590338 1030216428 /nfs/dbraw/zinc/21/64/28/1030216428.db2.gz HNLDRQHVRLPVMX-NRFANRHFSA-N 2 1 395.547 3.581 20 0 GHADMP Cc1nc(F)ccc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591606 1030217283 /nfs/dbraw/zinc/21/72/83/1030217283.db2.gz XADMTRYBJXUZTO-OAQYLSRUSA-N 2 1 383.511 3.833 20 0 GHADMP Cc1nc(F)ccc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591606 1030217295 /nfs/dbraw/zinc/21/72/95/1030217295.db2.gz XADMTRYBJXUZTO-OAQYLSRUSA-N 2 1 383.511 3.833 20 0 GHADMP COc1cncc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222590885 1030218749 /nfs/dbraw/zinc/21/87/49/1030218749.db2.gz OMXOJZTVGKTUEW-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1cncc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222590885 1030218763 /nfs/dbraw/zinc/21/87/63/1030218763.db2.gz OMXOJZTVGKTUEW-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602691 1030227575 /nfs/dbraw/zinc/22/75/75/1030227575.db2.gz XJKQTNRAZHCFQU-FQEVSTJZSA-N 2 1 389.499 3.534 20 0 GHADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602691 1030227588 /nfs/dbraw/zinc/22/75/88/1030227588.db2.gz XJKQTNRAZHCFQU-FQEVSTJZSA-N 2 1 389.499 3.534 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001222668694 1030271294 /nfs/dbraw/zinc/27/12/94/1030271294.db2.gz ZPROQWHLNPRRDC-CVDCTZTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001222668694 1030271311 /nfs/dbraw/zinc/27/13/11/1030271311.db2.gz ZPROQWHLNPRRDC-CVDCTZTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001222668694 1030271326 /nfs/dbraw/zinc/27/13/26/1030271326.db2.gz ZPROQWHLNPRRDC-CVDCTZTESA-N 2 1 398.595 3.735 20 0 GHADMP N[C@H](Cc1ccc(F)c(F)c1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217710550 1030620359 /nfs/dbraw/zinc/62/03/59/1030620359.db2.gz LJBJMXHDDKQEKN-QFBILLFUSA-N 2 1 384.430 3.580 20 0 GHADMP [NH3+][C@H](Cc1ccc(F)c(F)c1)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217710550 1030620364 /nfs/dbraw/zinc/62/03/64/1030620364.db2.gz LJBJMXHDDKQEKN-QFBILLFUSA-N 2 1 384.430 3.580 20 0 GHADMP [NH3+][C@H](Cc1ccc(F)c(F)c1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217710550 1030620374 /nfs/dbraw/zinc/62/03/74/1030620374.db2.gz LJBJMXHDDKQEKN-QFBILLFUSA-N 2 1 384.430 3.580 20 0 GHADMP COc1ccc([C@@H]([NH3+])CCOC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)cc1 ZINC001217908542 1030671247 /nfs/dbraw/zinc/67/12/47/1030671247.db2.gz JJMYUFPGUDMNBY-PKTZIBPZSA-N 2 1 398.547 3.781 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[NH2+]CC[C@@H]2F)c1-3 ZINC001218020669 1030726839 /nfs/dbraw/zinc/72/68/39/1030726839.db2.gz VFMBBBSANNWIPY-NLWGTHIKSA-N 2 1 382.479 3.613 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccc([C@H](N)C[NH3+])cc1)C1CCCCC1 ZINC001219025382 1031218392 /nfs/dbraw/zinc/21/83/92/1031218392.db2.gz HRMQVZDTPHCYTH-OAQYLSRUSA-N 2 1 380.536 3.662 20 0 GHADMP C[N@H+](Cc1ccccc1NC(=O)c1ccc([C@H]([NH3+])CN)cc1)C1CCCCC1 ZINC001219025382 1031218407 /nfs/dbraw/zinc/21/84/07/1031218407.db2.gz HRMQVZDTPHCYTH-OAQYLSRUSA-N 2 1 380.536 3.662 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccc([C@H]([NH3+])CN)cc1)C1CCCCC1 ZINC001219025382 1031218421 /nfs/dbraw/zinc/21/84/21/1031218421.db2.gz HRMQVZDTPHCYTH-OAQYLSRUSA-N 2 1 380.536 3.662 20 0 GHADMP CC[C@@]1(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)CCC[NH2+]C1 ZINC001219047053 1031229421 /nfs/dbraw/zinc/22/94/21/1031229421.db2.gz PAYAFRZWSROTMU-HYBUGGRVSA-N 2 1 377.532 3.982 20 0 GHADMP C[C@@H]([NH3+])c1ncc(C(=O)Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)s1 ZINC001219047296 1031229578 /nfs/dbraw/zinc/22/95/78/1031229578.db2.gz UXOOUPYCKZCYMC-PBHICJAKSA-N 2 1 392.528 3.992 20 0 GHADMP C[C@@H]([NH3+])c1ncc(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)s1 ZINC001219047296 1031229589 /nfs/dbraw/zinc/22/95/89/1031229589.db2.gz UXOOUPYCKZCYMC-PBHICJAKSA-N 2 1 392.528 3.992 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC001225279110 1031329319 /nfs/dbraw/zinc/32/93/19/1031329319.db2.gz DALFGQKITCUXSE-LJQANCHMSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccco1 ZINC001225321381 1031348761 /nfs/dbraw/zinc/34/87/61/1031348761.db2.gz NANTXCVSMROWMM-PZJWPPBQSA-N 2 1 398.551 3.751 20 0 GHADMP O=C(Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2)[C@H]1[NH2+]Cc2ccccc21 ZINC001219487015 1031453829 /nfs/dbraw/zinc/45/38/29/1031453829.db2.gz XOVCLZAAGUJVNH-GMAHTHKFSA-N 2 1 375.516 3.813 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[NH+]1CCc2ccccc2C1 ZINC001225791661 1031607627 /nfs/dbraw/zinc/60/76/27/1031607627.db2.gz KVRDYKRCYOFTIN-WMZHIEFXSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001225791661 1031607629 /nfs/dbraw/zinc/60/76/29/1031607629.db2.gz KVRDYKRCYOFTIN-WMZHIEFXSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001225791661 1031607632 /nfs/dbraw/zinc/60/76/32/1031607632.db2.gz KVRDYKRCYOFTIN-WMZHIEFXSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001220062106 1031760590 /nfs/dbraw/zinc/76/05/90/1031760590.db2.gz MGCQAPYBJKFKNK-OFNKIYASSA-N 2 1 393.575 3.917 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001220161764 1031810142 /nfs/dbraw/zinc/81/01/42/1031810142.db2.gz FUGXURQOWXXYCM-CUYJMHBOSA-N 2 1 391.559 3.898 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001220161764 1031810153 /nfs/dbraw/zinc/81/01/53/1031810153.db2.gz FUGXURQOWXXYCM-CUYJMHBOSA-N 2 1 391.559 3.898 20 0 GHADMP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC001220445328 1031945361 /nfs/dbraw/zinc/94/53/61/1031945361.db2.gz DZXKEKHIMVEGIJ-FASAQXTFSA-N 2 1 392.330 3.753 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1F ZINC001205227128 1033315679 /nfs/dbraw/zinc/31/56/79/1033315679.db2.gz AERGSYWWWIHRHK-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001229186276 1033328987 /nfs/dbraw/zinc/32/89/87/1033328987.db2.gz NCPQYWFDDSHZBJ-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(NC4(C)CC[NH2+]CC4)c23)C1 ZINC001157403586 1033568943 /nfs/dbraw/zinc/56/89/43/1033568943.db2.gz UREMKOQHVVYONN-OAHLLOKOSA-N 2 1 399.608 3.966 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC001205912675 1033633176 /nfs/dbraw/zinc/63/31/76/1033633176.db2.gz BIXKBFVDKKNELO-FXAWDEMLSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC001205912675 1033633185 /nfs/dbraw/zinc/63/31/85/1033633185.db2.gz BIXKBFVDKKNELO-FXAWDEMLSA-N 2 1 384.520 3.842 20 0 GHADMP C[C@@H](CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC001229793699 1033720139 /nfs/dbraw/zinc/72/01/39/1033720139.db2.gz MIKVZPXFRZNNHB-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC001229793699 1033720154 /nfs/dbraw/zinc/72/01/54/1033720154.db2.gz MIKVZPXFRZNNHB-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC001229793699 1033720170 /nfs/dbraw/zinc/72/01/70/1033720170.db2.gz MIKVZPXFRZNNHB-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@@H]1F ZINC001206200887 1033761108 /nfs/dbraw/zinc/76/11/08/1033761108.db2.gz UCJAMYKYKLGNGA-IRXDYDNUSA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@@H]1F ZINC001206200887 1033761119 /nfs/dbraw/zinc/76/11/19/1033761119.db2.gz UCJAMYKYKLGNGA-IRXDYDNUSA-N 2 1 383.389 3.908 20 0 GHADMP CC(C)[N@@H+](Cc1cc(F)cc(I)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206598818 1033919445 /nfs/dbraw/zinc/91/94/45/1033919445.db2.gz MVIIJMPCTSFAAY-MRXNPFEDSA-N 2 1 390.284 3.783 20 0 GHADMP C[N@@H+](Cc1ccc(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)nc1)C1CC1 ZINC001158454229 1034085431 /nfs/dbraw/zinc/08/54/31/1034085431.db2.gz PDPYYTKWHLLWKO-UHFFFAOYSA-N 2 1 382.527 3.916 20 0 GHADMP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC001207102368 1034093772 /nfs/dbraw/zinc/09/37/72/1034093772.db2.gz OIKMNBNQKWLKSE-ABWWWTPGSA-N 2 1 384.564 3.856 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1 ZINC001207200203 1034170638 /nfs/dbraw/zinc/17/06/38/1034170638.db2.gz XWVIKWGAKHNPBM-LQWHRVPQSA-N 2 1 390.955 3.793 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001207206874 1034174337 /nfs/dbraw/zinc/17/43/37/1034174337.db2.gz ANAZFSDWTJTBCA-IBGZPJMESA-N 2 1 377.573 3.584 20 0 GHADMP COc1cccc(CC[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001207427864 1034364738 /nfs/dbraw/zinc/36/47/38/1034364738.db2.gz IFPBAFJKYJUBMH-QHCPKHFHSA-N 2 1 394.559 3.993 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC3(C2)CCC[NH2+]C3)n1 ZINC001159024993 1034387176 /nfs/dbraw/zinc/38/71/76/1034387176.db2.gz IAEKUMAYBKKXNK-UHFFFAOYSA-N 2 1 393.560 3.610 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001159052359 1034402996 /nfs/dbraw/zinc/40/29/96/1034402996.db2.gz UPKPUGOTRHHKEK-JBFIQYRUSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001159052359 1034403003 /nfs/dbraw/zinc/40/30/03/1034403003.db2.gz UPKPUGOTRHHKEK-JBFIQYRUSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001159052359 1034403030 /nfs/dbraw/zinc/40/30/30/1034403030.db2.gz UPKPUGOTRHHKEK-JBFIQYRUSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@H](Cc1ccc(O)cc1)Nc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001207812220 1034589827 /nfs/dbraw/zinc/58/98/27/1034589827.db2.gz BABDOGPGBLFDMZ-QGZVFWFLSA-N 2 1 376.504 3.735 20 0 GHADMP Cc1nc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC001159521488 1034636727 /nfs/dbraw/zinc/63/67/27/1034636727.db2.gz XHCOJPXUQPXGFF-QHCPKHFHSA-N 2 1 390.531 3.877 20 0 GHADMP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)s1 ZINC001231501089 1034644481 /nfs/dbraw/zinc/64/44/81/1034644481.db2.gz WLQRMYRTFROMAN-DXIQSLLYSA-N 2 1 384.593 3.882 20 0 GHADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)s1 ZINC001231501089 1034644494 /nfs/dbraw/zinc/64/44/94/1034644494.db2.gz WLQRMYRTFROMAN-DXIQSLLYSA-N 2 1 384.593 3.882 20 0 GHADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)s1 ZINC001231501089 1034644504 /nfs/dbraw/zinc/64/45/04/1034644504.db2.gz WLQRMYRTFROMAN-DXIQSLLYSA-N 2 1 384.593 3.882 20 0 GHADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)s1 ZINC001231501089 1034644516 /nfs/dbraw/zinc/64/45/16/1034644516.db2.gz WLQRMYRTFROMAN-DXIQSLLYSA-N 2 1 384.593 3.882 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)C1 ZINC001208163281 1034767235 /nfs/dbraw/zinc/76/72/35/1034767235.db2.gz UDQJXWXFEFAUGA-MJGOQNOKSA-N 2 1 376.541 3.821 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC[C@@H](C)c3ccc(C)o3)CC2)C1 ZINC001208163281 1034767245 /nfs/dbraw/zinc/76/72/45/1034767245.db2.gz UDQJXWXFEFAUGA-MJGOQNOKSA-N 2 1 376.541 3.821 20 0 GHADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001208175964 1034775594 /nfs/dbraw/zinc/77/55/94/1034775594.db2.gz OOBNPWWRWJCTGE-GMAHTHKFSA-N 2 1 383.580 3.988 20 0 GHADMP COC(C)(C)CCC[C@H](C)CC[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001208204239 1034795201 /nfs/dbraw/zinc/79/52/01/1034795201.db2.gz BAKOCTRYGJCBJQ-FQEVSTJZSA-N 2 1 390.616 3.959 20 0 GHADMP Cc1sc2ccccc2c1C[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001231643699 1034801729 /nfs/dbraw/zinc/80/17/29/1034801729.db2.gz OGZVDXHLMHNAJL-UHFFFAOYSA-N 2 1 395.572 3.534 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001231654241 1034812146 /nfs/dbraw/zinc/81/21/46/1034812146.db2.gz SEJMWGBSCILFAT-JOCHJYFZSA-N 2 1 395.547 3.736 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1(c3ccccc3)CCOCC1)[C@@H]2C ZINC001208227682 1034816443 /nfs/dbraw/zinc/81/64/43/1034816443.db2.gz UVOASJHZTINGBC-HXUWFJFHSA-N 2 1 396.579 3.848 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1(c3ccccc3)CCOCC1)[C@@H]2C ZINC001208227682 1034816448 /nfs/dbraw/zinc/81/64/48/1034816448.db2.gz UVOASJHZTINGBC-HXUWFJFHSA-N 2 1 396.579 3.848 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1(c3ccccc3)CCOCC1)[C@@H]2C ZINC001208227682 1034816458 /nfs/dbraw/zinc/81/64/58/1034816458.db2.gz UVOASJHZTINGBC-HXUWFJFHSA-N 2 1 396.579 3.848 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1(c3ccccc3)CCOCC1)[C@@H]2C ZINC001208227682 1034816462 /nfs/dbraw/zinc/81/64/62/1034816462.db2.gz UVOASJHZTINGBC-HXUWFJFHSA-N 2 1 396.579 3.848 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](C2CCC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208604147 1034952359 /nfs/dbraw/zinc/95/23/59/1034952359.db2.gz LIMKQHNHXRWFFC-FQEVSTJZSA-N 2 1 379.589 3.972 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001208630898 1034960871 /nfs/dbraw/zinc/96/08/71/1034960871.db2.gz IVPSSRXZNWGIGL-JQZONJITSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001208630898 1034960875 /nfs/dbraw/zinc/96/08/75/1034960875.db2.gz IVPSSRXZNWGIGL-JQZONJITSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001208630898 1034960880 /nfs/dbraw/zinc/96/08/80/1034960880.db2.gz IVPSSRXZNWGIGL-JQZONJITSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001208630898 1034960887 /nfs/dbraw/zinc/96/08/87/1034960887.db2.gz IVPSSRXZNWGIGL-JQZONJITSA-N 2 1 399.579 3.593 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1COC3(CCCCC3)O1)CC2 ZINC001208634633 1034962225 /nfs/dbraw/zinc/96/22/25/1034962225.db2.gz IHTGLRGSBNKCOU-QFIPXVFZSA-N 2 1 399.579 3.834 20 0 GHADMP CC(=O)N1CCC(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001208677907 1034978983 /nfs/dbraw/zinc/97/89/83/1034978983.db2.gz PBNHZFLBYOSAOH-BVSLBCMMSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001208677907 1034978986 /nfs/dbraw/zinc/97/89/86/1034978986.db2.gz PBNHZFLBYOSAOH-BVSLBCMMSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001208677907 1034978989 /nfs/dbraw/zinc/97/89/89/1034978989.db2.gz PBNHZFLBYOSAOH-BVSLBCMMSA-N 2 1 389.609 3.539 20 0 GHADMP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)C[C@@H]([NH3+])Cc3cccs3)CC2)cc1 ZINC001160596877 1035013702 /nfs/dbraw/zinc/01/37/02/1035013702.db2.gz WDUDSHGSMLUFLJ-FQEVSTJZSA-N 2 1 399.604 3.650 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(C)n1 ZINC001231997353 1035032148 /nfs/dbraw/zinc/03/21/48/1035032148.db2.gz AVDYCFUTZVGMHN-QHCPKHFHSA-N 2 1 379.548 3.954 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001160737979 1035049339 /nfs/dbraw/zinc/04/93/39/1035049339.db2.gz APWADAPUJDGFHD-YADHBBJMSA-N 2 1 375.601 3.944 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001160737979 1035049353 /nfs/dbraw/zinc/04/93/53/1035049353.db2.gz APWADAPUJDGFHD-YADHBBJMSA-N 2 1 375.601 3.944 20 0 GHADMP Clc1ccccc1CCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001208872508 1035069940 /nfs/dbraw/zinc/06/99/40/1035069940.db2.gz OHVPBSPHUBMHCH-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1)Cc1ccc2ccccc2c1 ZINC001160848396 1035078333 /nfs/dbraw/zinc/07/83/33/1035078333.db2.gz FRYIBGLHZDXOBJ-UKILVPOCSA-N 2 1 399.538 3.541 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1)Cc1ccc2ccccc2c1 ZINC001160848396 1035078342 /nfs/dbraw/zinc/07/83/42/1035078342.db2.gz FRYIBGLHZDXOBJ-UKILVPOCSA-N 2 1 399.538 3.541 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001461937841 1069901929 /nfs/dbraw/zinc/90/19/29/1069901929.db2.gz KYRWKRGQDSZCSW-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)nc1C)CC2 ZINC001232082032 1035083253 /nfs/dbraw/zinc/08/32/53/1035083253.db2.gz LQAFGTDJKKDFNV-HSZRJFAPSA-N 2 1 394.563 3.597 20 0 GHADMP CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1NC1=CC[N@@H+](C)CC1 ZINC001208909877 1035085300 /nfs/dbraw/zinc/08/53/00/1035085300.db2.gz ILDVNHYBTIAPFV-UHFFFAOYSA-N 2 1 389.540 3.605 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC001160927883 1035095770 /nfs/dbraw/zinc/09/57/70/1035095770.db2.gz CQPCPXZHJCWGIH-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001160927883 1035095773 /nfs/dbraw/zinc/09/57/73/1035095773.db2.gz CQPCPXZHJCWGIH-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001160927883 1035095783 /nfs/dbraw/zinc/09/57/83/1035095783.db2.gz CQPCPXZHJCWGIH-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208933613 1035098683 /nfs/dbraw/zinc/09/86/83/1035098683.db2.gz FWJZIKVTGKPRMG-DNQXCXABSA-N 2 1 383.580 3.766 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208933613 1035098687 /nfs/dbraw/zinc/09/86/87/1035098687.db2.gz FWJZIKVTGKPRMG-DNQXCXABSA-N 2 1 383.580 3.766 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208933613 1035098695 /nfs/dbraw/zinc/09/86/95/1035098695.db2.gz FWJZIKVTGKPRMG-DNQXCXABSA-N 2 1 383.580 3.766 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934982 1035100839 /nfs/dbraw/zinc/10/08/39/1035100839.db2.gz MBUVODQKQPCHLR-UEQSERJNSA-N 2 1 384.564 3.557 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)C2)cc1 ZINC001208934981 1035101018 /nfs/dbraw/zinc/10/10/18/1035101018.db2.gz MBUVODQKQPCHLR-CJRSTVEYSA-N 2 1 384.564 3.557 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939478 1035108613 /nfs/dbraw/zinc/10/86/13/1035108613.db2.gz BWGXBPRGJGXHOQ-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939478 1035108618 /nfs/dbraw/zinc/10/86/18/1035108618.db2.gz BWGXBPRGJGXHOQ-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939478 1035108623 /nfs/dbraw/zinc/10/86/23/1035108623.db2.gz BWGXBPRGJGXHOQ-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939478 1035108628 /nfs/dbraw/zinc/10/86/28/1035108628.db2.gz BWGXBPRGJGXHOQ-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208945568 1035115666 /nfs/dbraw/zinc/11/56/66/1035115666.db2.gz RCCWXUJVKSBKJW-HSZRJFAPSA-N 2 1 391.559 3.747 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208945568 1035115669 /nfs/dbraw/zinc/11/56/69/1035115669.db2.gz RCCWXUJVKSBKJW-HSZRJFAPSA-N 2 1 391.559 3.747 20 0 GHADMP O=C(c1ccccc1)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208945568 1035115674 /nfs/dbraw/zinc/11/56/74/1035115674.db2.gz RCCWXUJVKSBKJW-HSZRJFAPSA-N 2 1 391.559 3.747 20 0 GHADMP O=C(c1ccccc1)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208945568 1035115679 /nfs/dbraw/zinc/11/56/79/1035115679.db2.gz RCCWXUJVKSBKJW-HSZRJFAPSA-N 2 1 391.559 3.747 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@H]1CC[NH+](Cc3ccccc3)C1)[C@@H]2C ZINC001208948658 1035118422 /nfs/dbraw/zinc/11/84/22/1035118422.db2.gz YNAJNUXFUBMVFY-IRLDBZIGSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)[C@@H]2C ZINC001208948658 1035118425 /nfs/dbraw/zinc/11/84/25/1035118425.db2.gz YNAJNUXFUBMVFY-IRLDBZIGSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)[C@@H]2C ZINC001208948658 1035118427 /nfs/dbraw/zinc/11/84/27/1035118427.db2.gz YNAJNUXFUBMVFY-IRLDBZIGSA-N 2 1 395.595 3.622 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146681 1035125512 /nfs/dbraw/zinc/12/55/12/1035125512.db2.gz YCENBRGJUYRNKM-MRXNPFEDSA-N 2 1 379.520 3.576 20 0 GHADMP C[C@H]1C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958610 1035128984 /nfs/dbraw/zinc/12/89/84/1035128984.db2.gz PWOUNHGPPJWQCG-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958610 1035128991 /nfs/dbraw/zinc/12/89/91/1035128991.db2.gz PWOUNHGPPJWQCG-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958610 1035128999 /nfs/dbraw/zinc/12/89/99/1035128999.db2.gz PWOUNHGPPJWQCG-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCN1C(=O)OC(C)(C)C ZINC001208958610 1035129005 /nfs/dbraw/zinc/12/90/05/1035129005.db2.gz PWOUNHGPPJWQCG-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208956849 1035129991 /nfs/dbraw/zinc/12/99/91/1035129991.db2.gz JCCGOZDHPFSDGR-GSDHBNRESA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208956849 1035129995 /nfs/dbraw/zinc/12/99/95/1035129995.db2.gz JCCGOZDHPFSDGR-GSDHBNRESA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208956849 1035129998 /nfs/dbraw/zinc/12/99/98/1035129998.db2.gz JCCGOZDHPFSDGR-GSDHBNRESA-N 2 1 389.587 3.962 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001208960805 1035131043 /nfs/dbraw/zinc/13/10/43/1035131043.db2.gz ZHDRUZNJAHSORO-XMGTWHOFSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001208960805 1035131046 /nfs/dbraw/zinc/13/10/46/1035131046.db2.gz ZHDRUZNJAHSORO-XMGTWHOFSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001208960805 1035131049 /nfs/dbraw/zinc/13/10/49/1035131049.db2.gz ZHDRUZNJAHSORO-XMGTWHOFSA-N 2 1 389.609 3.539 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)ccn1 ZINC001232239574 1035179333 /nfs/dbraw/zinc/17/93/33/1035179333.db2.gz ZPXGBWYVPNBRCA-UHFFFAOYSA-N 2 1 395.425 3.560 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)ccn1 ZINC001232239574 1035179340 /nfs/dbraw/zinc/17/93/40/1035179340.db2.gz ZPXGBWYVPNBRCA-UHFFFAOYSA-N 2 1 395.425 3.560 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001209113512 1035179515 /nfs/dbraw/zinc/17/95/15/1035179515.db2.gz LMVNPCSKFPRIBA-NQIIRXRSSA-N 2 1 380.935 3.702 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(F)cc1Cl)C2 ZINC001209113512 1035179520 /nfs/dbraw/zinc/17/95/20/1035179520.db2.gz LMVNPCSKFPRIBA-NQIIRXRSSA-N 2 1 380.935 3.702 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccc(F)cc1Cl)C2 ZINC001209113512 1035179524 /nfs/dbraw/zinc/17/95/24/1035179524.db2.gz LMVNPCSKFPRIBA-NQIIRXRSSA-N 2 1 380.935 3.702 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccc(F)cc1Cl)C2 ZINC001209113512 1035179528 /nfs/dbraw/zinc/17/95/28/1035179528.db2.gz LMVNPCSKFPRIBA-NQIIRXRSSA-N 2 1 380.935 3.702 20 0 GHADMP COc1cc2c[nH+]c(NC3CC[NH+](CC4CCOCC4)CC3)cc2cc1OC ZINC001161216656 1035183024 /nfs/dbraw/zinc/18/30/24/1035183024.db2.gz RFVBMOJPVYSWQW-UHFFFAOYSA-N 2 1 385.508 3.555 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(NCC2CC[NH+](C3CCOCC3)CC2)nc1 ZINC001161240819 1035188828 /nfs/dbraw/zinc/18/88/28/1035188828.db2.gz DSIBKXDTZZWVDE-QFIPXVFZSA-N 2 1 386.584 3.931 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3cc(C4C[NH2+]C4)ncn3)[C@@H](c3ccccc3)C2)cc1 ZINC001161463216 1035236051 /nfs/dbraw/zinc/23/60/51/1035236051.db2.gz TZCKSROHOAULGF-DHIUTWEWSA-N 2 1 399.542 3.634 20 0 GHADMP Cc1nc(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)cc(N(C)C)[nH+]1 ZINC001161577230 1035262828 /nfs/dbraw/zinc/26/28/28/1035262828.db2.gz IHSXKDQQVSJWPD-UHFFFAOYSA-N 2 1 393.457 3.603 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209588205 1035319808 /nfs/dbraw/zinc/31/98/08/1035319808.db2.gz QDZGBRMKQWQGOD-NMNUPHIUSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209588205 1035319812 /nfs/dbraw/zinc/31/98/12/1035319812.db2.gz QDZGBRMKQWQGOD-NMNUPHIUSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209588205 1035319815 /nfs/dbraw/zinc/31/98/15/1035319815.db2.gz QDZGBRMKQWQGOD-NMNUPHIUSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209588205 1035319818 /nfs/dbraw/zinc/31/98/18/1035319818.db2.gz QDZGBRMKQWQGOD-NMNUPHIUSA-N 2 1 389.547 3.999 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(N4CCCC4)nc2)CC3)c1 ZINC001209624987 1035335254 /nfs/dbraw/zinc/33/52/54/1035335254.db2.gz UEPIRVJXIGMMMA-UHFFFAOYSA-N 2 1 391.563 3.565 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(Br)c2)no1 ZINC001248194018 1035622626 /nfs/dbraw/zinc/62/26/26/1035622626.db2.gz GBJQQHRKCRWTEF-ZDUSSCGKSA-N 2 1 387.709 3.884 20 0 GHADMP CCOc1ccc(Br)cc1-c1noc([C@@H]([NH3+])CCCC[NH+](C)C)n1 ZINC001248193682 1035622945 /nfs/dbraw/zinc/62/29/45/1035622945.db2.gz BQLOBPVMFMIZID-AWEZNQCLSA-N 2 1 397.317 3.630 20 0 GHADMP C[NH+]1CCN(c2cccc(-c3noc([C@@H]([NH3+])CCC4CCCCC4)n3)c2)CC1 ZINC001248240739 1035684855 /nfs/dbraw/zinc/68/48/55/1035684855.db2.gz BDTGIUKFLOERII-FQEVSTJZSA-N 2 1 383.540 3.849 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)nc1 ZINC001241783135 1035699788 /nfs/dbraw/zinc/69/97/88/1035699788.db2.gz WWGWJIMBHMTMQS-QHCPKHFHSA-N 2 1 394.563 3.977 20 0 GHADMP CC(C)(C)[C@]1(CN2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462017568 1069948349 /nfs/dbraw/zinc/94/83/49/1069948349.db2.gz IBNDOQFPGPIZTO-ZCYQVOJMSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001248364198 1035784544 /nfs/dbraw/zinc/78/45/44/1035784544.db2.gz RQICATTWDJQWIR-ZIFCJYIRSA-N 2 1 381.455 3.567 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc3nc(C)ccc13)C2 ZINC001248556126 1035953075 /nfs/dbraw/zinc/95/30/75/1035953075.db2.gz LNQFPWAWDPLTGN-URXFXBBRSA-N 2 1 379.548 3.724 20 0 GHADMP Clc1c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cnc2ccccc12 ZINC001248812108 1036177721 /nfs/dbraw/zinc/17/77/21/1036177721.db2.gz VPUHCOLJEUXBGM-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP c1ccc(C[N@H+]2CCc3c(ccnc3C3=CC[C@@H]([NH+]4CCOCC4)CC3)C2)cc1 ZINC001245420226 1036917054 /nfs/dbraw/zinc/91/70/54/1036917054.db2.gz VEZAKVREUSABOS-HSZRJFAPSA-N 2 1 389.543 3.908 20 0 GHADMP CC(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246037288 1037152969 /nfs/dbraw/zinc/15/29/69/1037152969.db2.gz RQAINQHVTGOIRF-QLBJFCOMSA-N 2 1 394.559 3.629 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001246047124 1037159428 /nfs/dbraw/zinc/15/94/28/1037159428.db2.gz TYVXTBMDQVSHSU-SLFFLAALSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001246047124 1037159457 /nfs/dbraw/zinc/15/94/57/1037159457.db2.gz TYVXTBMDQVSHSU-SLFFLAALSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246054753 1037169012 /nfs/dbraw/zinc/16/90/12/1037169012.db2.gz POWLQKNABSQJFY-SLFFLAALSA-N 2 1 378.438 3.773 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246056551 1037170408 /nfs/dbraw/zinc/17/04/08/1037170408.db2.gz UEVGBSPOHIIANJ-NJDAHSKKSA-N 2 1 386.511 3.646 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246072416 1037188655 /nfs/dbraw/zinc/18/86/55/1037188655.db2.gz ZNYMMTXBOSMCGI-LJQANCHMSA-N 2 1 393.531 3.667 20 0 GHADMP CC1(N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246130232 1037206478 /nfs/dbraw/zinc/20/64/78/1037206478.db2.gz UNEWRJQZTGGYRJ-VDKIKQQVSA-N 2 1 375.560 3.703 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)C[C@H](C)[NH2+]1 ZINC001246136063 1037209441 /nfs/dbraw/zinc/20/94/41/1037209441.db2.gz ZOHASNOFDUJTBM-BASYENTBSA-N 2 1 392.385 3.634 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c2ccccc12 ZINC001246196427 1037233824 /nfs/dbraw/zinc/23/38/24/1037233824.db2.gz FSFYTYSQAYRZSC-FCEUIQTBSA-N 2 1 391.515 3.740 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@]1(C)CC[NH2+]CC1(F)F ZINC001246223190 1037244521 /nfs/dbraw/zinc/24/45/21/1037244521.db2.gz VNEGVNRXRSZSDA-CJNGLKHVSA-N 2 1 375.301 3.995 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn(C2CCC3(CCC[NH2+]C3)CC2)c2ccccc12 ZINC001246236732 1037250351 /nfs/dbraw/zinc/25/03/51/1037250351.db2.gz APFUTZCMEMMWIA-PDGCRQIGSA-N 2 1 383.536 3.559 20 0 GHADMP CO[C@H]1CNC[C@@H]1[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246238611 1037250561 /nfs/dbraw/zinc/25/05/61/1037250561.db2.gz GKGGLTYGXGUTKP-OVKIHRCZSA-N 2 1 393.575 3.576 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](N[C@H]3CC4(CC[NH2+]CC4)c4ccccc43)CC[NH2+]2)cc1 ZINC001246256267 1037256805 /nfs/dbraw/zinc/25/68/05/1037256805.db2.gz NVBPSOHMVCYYBP-IMSXRSKXSA-N 2 1 375.560 3.706 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[NH2+]C(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246254493 1037257207 /nfs/dbraw/zinc/25/72/07/1037257207.db2.gz HXMONLKTFSBMGL-UNMCSNQZSA-N 2 1 396.531 3.990 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246269213 1037266820 /nfs/dbraw/zinc/26/68/20/1037266820.db2.gz JPOROEWQLSKXCC-ZJSJBZJDSA-N 2 1 376.516 3.886 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC[NH2+]1 ZINC001246271346 1037269904 /nfs/dbraw/zinc/26/99/04/1037269904.db2.gz GWKYHMCJOPXNNK-FKBYEOEOSA-N 2 1 385.596 3.803 20 0 GHADMP C[C@H](N[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316240 1037292450 /nfs/dbraw/zinc/29/24/50/1037292450.db2.gz MPTKTSCTHGLWFY-JSKMBAMBSA-N 2 1 389.587 3.949 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316240 1037292464 /nfs/dbraw/zinc/29/24/64/1037292464.db2.gz MPTKTSCTHGLWFY-JSKMBAMBSA-N 3 1 389.587 3.949 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316240 1037292480 /nfs/dbraw/zinc/29/24/80/1037292480.db2.gz MPTKTSCTHGLWFY-JSKMBAMBSA-N 3 1 389.587 3.949 20 0 GHADMP C[C@H](N[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316243 1037292966 /nfs/dbraw/zinc/29/29/66/1037292966.db2.gz MPTKTSCTHGLWFY-QGTUIOLUSA-N 2 1 389.587 3.949 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316243 1037292984 /nfs/dbraw/zinc/29/29/84/1037292984.db2.gz MPTKTSCTHGLWFY-QGTUIOLUSA-N 3 1 389.587 3.949 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316243 1037293002 /nfs/dbraw/zinc/29/30/02/1037293002.db2.gz MPTKTSCTHGLWFY-QGTUIOLUSA-N 3 1 389.587 3.949 20 0 GHADMP Clc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[NH2+]CC2)cc1 ZINC001246340855 1037304397 /nfs/dbraw/zinc/30/43/97/1037304397.db2.gz MLZYLSMZEPXADI-FRIKZZABSA-N 3 1 387.999 3.956 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001246357712 1037315277 /nfs/dbraw/zinc/31/52/77/1037315277.db2.gz YERSUWKOLOWDOY-LJFZDNNRSA-N 2 1 397.563 3.948 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1cccc(Br)c1 ZINC001246376157 1037332275 /nfs/dbraw/zinc/33/22/75/1037332275.db2.gz MNPKECITXILNMC-BRWVUGGUSA-N 2 1 397.357 3.810 20 0 GHADMP Clc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[NH2+]CC2)c1 ZINC001246425157 1037382788 /nfs/dbraw/zinc/38/27/88/1037382788.db2.gz YRAIDMABRXGCSL-FRIKZZABSA-N 3 1 387.999 3.956 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)cc1 ZINC001246485723 1037433358 /nfs/dbraw/zinc/43/33/58/1037433358.db2.gz NBGXTLZJXXZQSI-AUSIDOKSSA-N 2 1 398.547 3.847 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246492314 1037437366 /nfs/dbraw/zinc/43/73/66/1037437366.db2.gz VDRHCIDRPYVFPN-LRQRDZAKSA-N 2 1 376.903 3.946 20 0 GHADMP C[C@@H]1C[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CCC[C@H]1C[NH3+] ZINC001246567455 1037483552 /nfs/dbraw/zinc/48/35/52/1037483552.db2.gz KVRYRQOEDNFHGG-CVEARBPZSA-N 2 1 380.374 3.725 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCC[C@@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246610649 1037504169 /nfs/dbraw/zinc/50/41/69/1037504169.db2.gz QXFYDUPLVIRBIR-GRSYGWAWSA-N 2 1 381.564 3.535 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617972 1037510409 /nfs/dbraw/zinc/51/04/09/1037510409.db2.gz FAHJDWUYBUZPBP-ZFFYZDHPSA-N 2 1 387.571 3.871 20 0 GHADMP Brc1ccc(N2CCC([N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC001246618402 1037510629 /nfs/dbraw/zinc/51/06/29/1037510629.db2.gz FCIYXHLEXUKJAP-LJQANCHMSA-N 2 1 378.358 3.636 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC001246618402 1037510640 /nfs/dbraw/zinc/51/06/40/1037510640.db2.gz FCIYXHLEXUKJAP-LJQANCHMSA-N 2 1 378.358 3.636 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246620017 1037511866 /nfs/dbraw/zinc/51/18/66/1037511866.db2.gz NGBBJLZNTAZQRV-IRQNMHNUSA-N 2 1 390.955 3.911 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246620017 1037511873 /nfs/dbraw/zinc/51/18/73/1037511873.db2.gz NGBBJLZNTAZQRV-IRQNMHNUSA-N 2 1 390.955 3.911 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246620254 1037513201 /nfs/dbraw/zinc/51/32/01/1037513201.db2.gz QPJVQVYVLJTEPE-TZRRMPRUSA-N 2 1 397.607 3.712 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246635544 1037520856 /nfs/dbraw/zinc/52/08/56/1037520856.db2.gz CKIUZDDRKVWJAY-CJNGLKHVSA-N 2 1 378.385 3.837 20 0 GHADMP c1ccc(C[NH+]2CCC([NH+]3CCC4(CC3)C[NH2+]Cc3ccccc34)CC2)cc1 ZINC001246636113 1037521003 /nfs/dbraw/zinc/52/10/03/1037521003.db2.gz CGSAWKVNVPIAGW-UHFFFAOYSA-N 3 1 375.560 3.788 20 0 GHADMP CCC1CCC(C2CCC([N@@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)CC2)CC1 ZINC001246670060 1037538404 /nfs/dbraw/zinc/53/84/04/1037538404.db2.gz VUXCOHKGKSEKJD-IMOXWJRASA-N 2 1 378.601 3.843 20 0 GHADMP CCC1CCC(C2CCC([N@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)CC2)CC1 ZINC001246670060 1037538410 /nfs/dbraw/zinc/53/84/10/1037538410.db2.gz VUXCOHKGKSEKJD-IMOXWJRASA-N 2 1 378.601 3.843 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001246673581 1037539808 /nfs/dbraw/zinc/53/98/08/1037539808.db2.gz PTDQJNNBYICDJX-CCDWMCETSA-N 2 1 375.560 3.514 20 0 GHADMP CC[C@H]1CC([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)C[C@H](CC)[NH2+]1 ZINC001246694872 1037553111 /nfs/dbraw/zinc/55/31/11/1037553111.db2.gz NWXFTWAOAVGMNT-OALUTQOASA-N 2 1 382.527 3.993 20 0 GHADMP CCCC[C@@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702403 1037555398 /nfs/dbraw/zinc/55/53/98/1037555398.db2.gz OKFCVXDTQCOLPE-UXHICEINSA-N 2 1 391.625 3.726 20 0 GHADMP CCCC[C@@H]1C[C@@H](N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246713650 1037564037 /nfs/dbraw/zinc/56/40/37/1037564037.db2.gz GJOWFKHKWXNEMF-SSQPMERFSA-N 2 1 389.584 3.502 20 0 GHADMP CCCC[C@@H]1C[C@@H](N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246713650 1037564053 /nfs/dbraw/zinc/56/40/53/1037564053.db2.gz GJOWFKHKWXNEMF-SSQPMERFSA-N 2 1 389.584 3.502 20 0 GHADMP CC[C@H]1[N@H+]([C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724645 1037575181 /nfs/dbraw/zinc/57/51/81/1037575181.db2.gz WDYLTUNNVKCPDV-GJPOJAMWSA-N 2 1 375.601 3.799 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCC[C@@]4(CC[NH2+]C4)C2)CC3)c1 ZINC001246744019 1037585731 /nfs/dbraw/zinc/58/57/31/1037585731.db2.gz YFICHEMJDABCCN-WIOPSUGQSA-N 3 1 397.607 3.905 20 0 GHADMP c1cc(C[N@@H+]2CCC3(C2)CCN([C@H]2CC[NH2+][C@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749278 1037587150 /nfs/dbraw/zinc/58/71/50/1037587150.db2.gz BVNZKBFPRVHJDF-RPWUZVMVSA-N 2 1 393.575 3.931 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H]4CC[NH2+]C5(CCCCC5)C4)CC[N@H+]3C2)cc1 ZINC001246765484 1037607393 /nfs/dbraw/zinc/60/73/93/1037607393.db2.gz JWIUGFNLTSXDHI-FUPPJEDESA-N 2 1 383.580 3.587 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)C1=O ZINC001246780608 1037621569 /nfs/dbraw/zinc/62/15/69/1037621569.db2.gz VKFPZLHHCTWYBR-IGKWTDBASA-N 2 1 381.564 3.555 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246810964 1037644242 /nfs/dbraw/zinc/64/42/42/1037644242.db2.gz BZPYMFBEGOVAQI-WPVAHCMFSA-N 2 1 377.617 3.949 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246814266 1037647446 /nfs/dbraw/zinc/64/74/46/1037647446.db2.gz POXPEWCNYPZFCT-WMZOXILCSA-N 2 1 375.601 3.704 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)C[C@H](CC)[NH2+]1 ZINC001246814267 1037648001 /nfs/dbraw/zinc/64/80/01/1037648001.db2.gz XJRWIBQCFLSJQU-VKDGWMQASA-N 2 1 381.564 3.696 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246815708 1037648350 /nfs/dbraw/zinc/64/83/50/1037648350.db2.gz BIQBFMCXWIRXRE-ZWKOTPCHSA-N 2 1 380.374 3.738 20 0 GHADMP O=C1OC[C@@H]2[C@H]([N@@H+](Cc3ccccc3)C3CCC4(CC[NH2+]CC4)CC3)CCCN12 ZINC001246839866 1037667722 /nfs/dbraw/zinc/66/77/22/1037667722.db2.gz ZQEPBUKJOCSWDW-FGZHOGPDSA-N 2 1 397.563 3.784 20 0 GHADMP CCOC(=O)[C@]12C[N@H+]([C@H](C)CC(C)(C)SCc3ccco3)C[C@H]1C[NH2+]CC2 ZINC001246855281 1037677130 /nfs/dbraw/zinc/67/71/30/1037677130.db2.gz LBEIJAJLSVMEIK-CBGDNZLLSA-N 2 1 394.581 3.545 20 0 GHADMP Fc1ccc(N2CCC([N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246857502 1037680613 /nfs/dbraw/zinc/68/06/13/1037680613.db2.gz ABHHMUSRCIERED-UHFFFAOYSA-N 2 1 379.523 3.932 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](C3C[C@@H](CC)[NH2+][C@H](CC)C3)C1)C2 ZINC001246882136 1037697663 /nfs/dbraw/zinc/69/76/63/1037697663.db2.gz WVRSKXGGFMXIKY-DBYOASNMSA-N 2 1 384.564 3.891 20 0 GHADMP C[C@@H](Cc1cccc(Br)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882667 1037698872 /nfs/dbraw/zinc/69/88/72/1037698872.db2.gz ZNECJAJRBKQMPA-SCWSEQNSSA-N 2 1 385.349 3.853 20 0 GHADMP C[C@@H](Cc1cccc(Br)c1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882667 1037698890 /nfs/dbraw/zinc/69/88/90/1037698890.db2.gz ZNECJAJRBKQMPA-SCWSEQNSSA-N 2 1 385.349 3.853 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246892477 1037709119 /nfs/dbraw/zinc/70/91/19/1037709119.db2.gz RLRAFYZKPSJQKB-XERBYJISSA-N 2 1 385.596 3.904 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904236 1037716650 /nfs/dbraw/zinc/71/66/50/1037716650.db2.gz UQPRVJJDAWIMGX-POAQFYNOSA-N 2 1 376.516 3.981 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904236 1037716667 /nfs/dbraw/zinc/71/66/67/1037716667.db2.gz UQPRVJJDAWIMGX-POAQFYNOSA-N 2 1 376.516 3.981 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246922880 1037727831 /nfs/dbraw/zinc/72/78/31/1037727831.db2.gz XEKUXHGOTALNJN-SVDNCKMHSA-N 2 1 387.571 3.655 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246922870 1037727968 /nfs/dbraw/zinc/72/79/68/1037727968.db2.gz XEKUXHGOTALNJN-OCJQLBAASA-N 2 1 387.571 3.655 20 0 GHADMP COc1ccc(CN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246952290 1037755378 /nfs/dbraw/zinc/75/53/78/1037755378.db2.gz KLUBHBINGYHUQV-RDPSFJRHSA-N 2 1 393.575 3.912 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3c(C)cccc3C2)c1 ZINC001246954025 1037763546 /nfs/dbraw/zinc/76/35/46/1037763546.db2.gz GBZVHMPDJRTSJO-HSZRJFAPSA-N 2 1 392.543 3.893 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955554 1037764974 /nfs/dbraw/zinc/76/49/74/1037764974.db2.gz NYRPDBAZHHIJHN-SFHVURJKSA-N 2 1 395.494 3.530 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955554 1037764982 /nfs/dbraw/zinc/76/49/82/1037764982.db2.gz NYRPDBAZHHIJHN-SFHVURJKSA-N 2 1 395.494 3.530 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)C1 ZINC001246958760 1037775616 /nfs/dbraw/zinc/77/56/16/1037775616.db2.gz GTPKSCHJKOVKQJ-DYESRHJHSA-N 2 1 376.516 3.810 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC[NH2+]1 ZINC001246988025 1037812164 /nfs/dbraw/zinc/81/21/64/1037812164.db2.gz WHGVGGNYGIQERD-UNMCSNQZSA-N 2 1 379.552 3.576 20 0 GHADMP c1ccc(COc2cccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)c2)cc1 ZINC001246985741 1037812335 /nfs/dbraw/zinc/81/23/35/1037812335.db2.gz PTZULBLVGDPPFL-TYABSZSSSA-N 2 1 377.532 3.671 20 0 GHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001247000038 1037823914 /nfs/dbraw/zinc/82/39/14/1037823914.db2.gz DBUWMDNFYIYVCU-CTUHWIOQSA-N 2 1 381.539 3.868 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CCC3(CC1)[NH2+]CCc1ccccc13)CC2 ZINC001247007525 1037831981 /nfs/dbraw/zinc/83/19/81/1037831981.db2.gz XMIHAFWTXUSTLC-SWCONJRYSA-N 2 1 382.548 3.635 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001247010079 1037833880 /nfs/dbraw/zinc/83/38/80/1037833880.db2.gz MSGQULYNOXAYKI-APWZRJJASA-N 2 1 392.385 3.802 20 0 GHADMP Fc1cccc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)n(C3CC[NH2+]CC3)c21 ZINC001247027943 1037847321 /nfs/dbraw/zinc/84/73/21/1037847321.db2.gz PTMZJBKKTBZWRF-UHFFFAOYSA-N 2 1 394.494 3.599 20 0 GHADMP CC(=O)Nc1nc(CN2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cs1 ZINC001232284921 1038018756 /nfs/dbraw/zinc/01/87/56/1038018756.db2.gz TZWWZUDQVYBDQV-SFHVURJKSA-N 2 1 388.537 3.571 20 0 GHADMP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1OCc1ccccc1 ZINC001232400842 1038185185 /nfs/dbraw/zinc/18/51/85/1038185185.db2.gz ZUPMEKQQPQIXGQ-BJKOFHAPSA-N 2 1 393.575 3.784 20 0 GHADMP c1cc2cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)ncc2o1 ZINC001232551112 1038317809 /nfs/dbraw/zinc/31/78/09/1038317809.db2.gz MPIZPCKZOZORDB-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cc(Br)ccc2C(F)(F)F)no1 ZINC001247692715 1038331038 /nfs/dbraw/zinc/33/10/38/1038331038.db2.gz FRFYBLBEZQPUEF-NSHDSACASA-N 2 1 393.207 3.647 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c(Cl)ccnc1F)CC2 ZINC001232613986 1038401473 /nfs/dbraw/zinc/40/14/73/1038401473.db2.gz ZMYCQTLCLKLIKJ-OAHLLOKOSA-N 2 1 393.890 3.723 20 0 GHADMP Clc1cccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1Cl ZINC001247905961 1038477154 /nfs/dbraw/zinc/47/71/54/1038477154.db2.gz NAUNHZBFYMLWRC-GFCCVEGCSA-N 2 1 381.307 3.975 20 0 GHADMP Fc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c2ccccc12 ZINC001247907729 1038480783 /nfs/dbraw/zinc/48/07/83/1038480783.db2.gz VQZKSXZKCHFJGD-HNNXBMFYSA-N 2 1 380.467 3.960 20 0 GHADMP Clc1cccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1Cl ZINC001247909428 1038484167 /nfs/dbraw/zinc/48/41/67/1038484167.db2.gz MEAQSWZJBMXFDT-UHFFFAOYSA-N 2 1 381.307 3.975 20 0 GHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@H]3CC[N@H+]3C3CCCCC3)n2)CC1 ZINC001248035360 1038549626 /nfs/dbraw/zinc/54/96/26/1038549626.db2.gz XQCQIENLAYKRKY-HXUWFJFHSA-N 2 1 381.524 3.568 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)cc(O)c4)CC3)C2)cc1 ZINC001232882096 1038661884 /nfs/dbraw/zinc/66/18/84/1038661884.db2.gz UMWWWTCFRYTPER-UHFFFAOYSA-N 2 1 380.532 3.876 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942487 1038722467 /nfs/dbraw/zinc/72/24/67/1038722467.db2.gz ZXJKHEKSMZHBQH-CZTZKLFOSA-N 2 1 376.504 3.955 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942487 1038722474 /nfs/dbraw/zinc/72/24/74/1038722474.db2.gz ZXJKHEKSMZHBQH-CZTZKLFOSA-N 2 1 376.504 3.955 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942487 1038722480 /nfs/dbraw/zinc/72/24/80/1038722480.db2.gz ZXJKHEKSMZHBQH-CZTZKLFOSA-N 2 1 376.504 3.955 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cnc1C ZINC001233160088 1038933505 /nfs/dbraw/zinc/93/35/05/1038933505.db2.gz PHFZDXUIGMMQHA-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cnc1C ZINC001233160088 1038933509 /nfs/dbraw/zinc/93/35/09/1038933509.db2.gz PHFZDXUIGMMQHA-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cnc1C ZINC001233160088 1038933516 /nfs/dbraw/zinc/93/35/16/1038933516.db2.gz PHFZDXUIGMMQHA-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cnc1C ZINC001233160088 1038933517 /nfs/dbraw/zinc/93/35/17/1038933517.db2.gz PHFZDXUIGMMQHA-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC001233218795 1038981309 /nfs/dbraw/zinc/98/13/09/1038981309.db2.gz DORCNIDNFBCFCU-OAQYLSRUSA-N 2 1 385.939 3.649 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC001233218795 1038981316 /nfs/dbraw/zinc/98/13/16/1038981316.db2.gz DORCNIDNFBCFCU-OAQYLSRUSA-N 2 1 385.939 3.649 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)ccc1Cl ZINC001278670825 1039023693 /nfs/dbraw/zinc/02/36/93/1039023693.db2.gz QSHHCKHWMPHRPW-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP Nc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001233374892 1039197479 /nfs/dbraw/zinc/19/74/79/1039197479.db2.gz UMTOTKHCLFDNAL-UHFFFAOYSA-N 2 1 391.968 3.851 20 0 GHADMP Nc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)c1 ZINC001233374892 1039197489 /nfs/dbraw/zinc/19/74/89/1039197489.db2.gz UMTOTKHCLFDNAL-UHFFFAOYSA-N 2 1 391.968 3.851 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252917175 1039255615 /nfs/dbraw/zinc/25/56/15/1039255615.db2.gz NSNBVZKWHWYYKP-UBFVSLLYSA-N 2 1 394.559 3.741 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917175 1039255634 /nfs/dbraw/zinc/25/56/34/1039255634.db2.gz NSNBVZKWHWYYKP-UBFVSLLYSA-N 2 1 394.559 3.741 20 0 GHADMP COc1cccc([C@@H]2CCC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)c1 ZINC001252933167 1039271119 /nfs/dbraw/zinc/27/11/19/1039271119.db2.gz DYNRMCNVQRFMSZ-ISKFKSNPSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@@H]2CCC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252933167 1039271135 /nfs/dbraw/zinc/27/11/35/1039271135.db2.gz DYNRMCNVQRFMSZ-ISKFKSNPSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@@H]2CCC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252933167 1039271147 /nfs/dbraw/zinc/27/11/47/1039271147.db2.gz DYNRMCNVQRFMSZ-ISKFKSNPSA-N 2 1 380.532 3.512 20 0 GHADMP O[C@@]1(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001252935362 1039271916 /nfs/dbraw/zinc/27/19/16/1039271916.db2.gz ZXAUNWZWRQYZMB-FCHUYYIVSA-N 2 1 386.536 3.629 20 0 GHADMP O[C@@]1(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001252935362 1039271923 /nfs/dbraw/zinc/27/19/23/1039271923.db2.gz ZXAUNWZWRQYZMB-FCHUYYIVSA-N 2 1 386.536 3.629 20 0 GHADMP O[C@@]1(C[NH+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252935362 1039271937 /nfs/dbraw/zinc/27/19/37/1039271937.db2.gz ZXAUNWZWRQYZMB-FCHUYYIVSA-N 2 1 386.536 3.629 20 0 GHADMP O[C@@]1(C[NH+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252935362 1039271946 /nfs/dbraw/zinc/27/19/46/1039271946.db2.gz ZXAUNWZWRQYZMB-FCHUYYIVSA-N 2 1 386.536 3.629 20 0 GHADMP COc1ccc2cccc(CC[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c2c1 ZINC001252949942 1039293856 /nfs/dbraw/zinc/29/38/56/1039293856.db2.gz ZEFVIWGCJBHWRX-VWLOTQADSA-N 2 1 390.527 3.618 20 0 GHADMP COc1ccc2cccc(CC[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001252949942 1039293864 /nfs/dbraw/zinc/29/38/64/1039293864.db2.gz ZEFVIWGCJBHWRX-VWLOTQADSA-N 2 1 390.527 3.618 20 0 GHADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001234240316 1039935408 /nfs/dbraw/zinc/93/54/08/1039935408.db2.gz GGSSCQJMTDOOPT-FUHWJXTLSA-N 2 1 387.499 3.895 20 0 GHADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001234240316 1039935410 /nfs/dbraw/zinc/93/54/10/1039935410.db2.gz GGSSCQJMTDOOPT-FUHWJXTLSA-N 2 1 387.499 3.895 20 0 GHADMP COc1ccccc1[C@H]1CC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254029084 1039963461 /nfs/dbraw/zinc/96/34/61/1039963461.db2.gz AOONKGSTEYNJPT-NRFANRHFSA-N 2 1 380.532 3.512 20 0 GHADMP Cc1ccccc1O[C@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254035925 1039967380 /nfs/dbraw/zinc/96/73/80/1039967380.db2.gz DDYHWFNFKXQTBI-QHCPKHFHSA-N 2 1 394.559 3.865 20 0 GHADMP OC1(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254035761 1039967539 /nfs/dbraw/zinc/96/75/39/1039967539.db2.gz BGYUZLKVVYCXBK-TZRRMPRUSA-N 2 1 398.591 3.541 20 0 GHADMP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254268800 1040113145 /nfs/dbraw/zinc/11/31/45/1040113145.db2.gz CGJVKIVRQQIXHP-HXUWFJFHSA-N 2 1 385.349 3.952 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@H]2Cc3ccc(Br)cc3C2)C2CCOCC2)CC1 ZINC001254274977 1040119992 /nfs/dbraw/zinc/11/99/92/1040119992.db2.gz IYPJLAMMUOALAA-BJLQDIEVSA-N 2 1 393.369 3.667 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@H]3CC[NH+]3C3CCCCCC3)C2)cc1 ZINC001254392683 1040207155 /nfs/dbraw/zinc/20/71/55/1040207155.db2.gz VHXYKOUIKHUSIB-JTHBVZDNSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@H]3CC[N@@H+]3C3CCCCCC3)C2)cc1 ZINC001254392683 1040207169 /nfs/dbraw/zinc/20/71/69/1040207169.db2.gz VHXYKOUIKHUSIB-JTHBVZDNSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)C2)cc1 ZINC001254392683 1040207181 /nfs/dbraw/zinc/20/71/81/1040207181.db2.gz VHXYKOUIKHUSIB-JTHBVZDNSA-N 2 1 398.595 3.666 20 0 GHADMP CCC[C@H](CCc1ccccc1)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001254493374 1040278791 /nfs/dbraw/zinc/27/87/91/1040278791.db2.gz LBWJARUQSVGZRT-YADHBBJMSA-N 2 1 396.579 3.939 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519535 1040293952 /nfs/dbraw/zinc/29/39/52/1040293952.db2.gz JOLCHJFLNPNESB-UFYCRDLUSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519535 1040293958 /nfs/dbraw/zinc/29/39/58/1040293958.db2.gz JOLCHJFLNPNESB-UFYCRDLUSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519535 1040293964 /nfs/dbraw/zinc/29/39/64/1040293964.db2.gz JOLCHJFLNPNESB-UFYCRDLUSA-N 2 1 379.589 3.830 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254620501 1040391600 /nfs/dbraw/zinc/39/16/00/1040391600.db2.gz RHDYNZMDYUVWLU-XYWHTSSQSA-N 2 1 382.527 3.962 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CS2 ZINC001254690117 1040447520 /nfs/dbraw/zinc/44/75/20/1040447520.db2.gz BAYDIPSUIVWCOW-SZMVWBNQSA-N 2 1 395.613 3.606 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)o2)c(Cl)c1 ZINC001234986654 1040482895 /nfs/dbraw/zinc/48/28/95/1040482895.db2.gz DXIFFBMBRHGSJU-GOSISDBHSA-N 2 1 399.844 3.756 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC001254737647 1040495816 /nfs/dbraw/zinc/49/58/16/1040495816.db2.gz JYZFQILQCLUMCR-GOSISDBHSA-N 2 1 377.573 3.773 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254748413 1040508325 /nfs/dbraw/zinc/50/83/25/1040508325.db2.gz JFCQLZYSVZPHFB-LJQANCHMSA-N 2 1 379.589 3.830 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC001235019741 1040510811 /nfs/dbraw/zinc/51/08/11/1040510811.db2.gz CFWUSDCUGVKKPQ-DEOSSOPVSA-N 2 1 379.548 3.965 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC001235019741 1040510827 /nfs/dbraw/zinc/51/08/27/1040510827.db2.gz CFWUSDCUGVKKPQ-DEOSSOPVSA-N 2 1 379.548 3.965 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC001235020669 1040512020 /nfs/dbraw/zinc/51/20/20/1040512020.db2.gz VFTBTEQDSGTRNL-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC001235020669 1040512035 /nfs/dbraw/zinc/51/20/35/1040512035.db2.gz VFTBTEQDSGTRNL-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753304 1040514799 /nfs/dbraw/zinc/51/47/99/1040514799.db2.gz JFLFTCFTSGCYHC-QYZOEREBSA-N 2 1 377.573 3.582 20 0 GHADMP CN1CCC[C@@H]2C[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753300 1040515204 /nfs/dbraw/zinc/51/52/04/1040515204.db2.gz JFLFTCFTSGCYHC-CEXWTWQISA-N 2 1 377.573 3.582 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001235034343 1040527522 /nfs/dbraw/zinc/52/75/22/1040527522.db2.gz WUBUQUWLSSAIKD-LJQANCHMSA-N 2 1 377.410 3.833 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001235034343 1040527527 /nfs/dbraw/zinc/52/75/27/1040527527.db2.gz WUBUQUWLSSAIKD-LJQANCHMSA-N 2 1 377.410 3.833 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235055231 1040545520 /nfs/dbraw/zinc/54/55/20/1040545520.db2.gz SUIIGZNGSUQROI-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235055231 1040545538 /nfs/dbraw/zinc/54/55/38/1040545538.db2.gz SUIIGZNGSUQROI-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP Brc1ccc2oc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235152853 1040645401 /nfs/dbraw/zinc/64/54/01/1040645401.db2.gz BVASQRIYBKKDKT-INIZCTEOSA-N 2 1 378.314 3.944 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235154942 1040648451 /nfs/dbraw/zinc/64/84/51/1040648451.db2.gz BRQVCUYYZOYHTG-MRXNPFEDSA-N 2 1 385.321 3.951 20 0 GHADMP Brc1cnc2c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c[nH]c2c1 ZINC001235156397 1040649337 /nfs/dbraw/zinc/64/93/37/1040649337.db2.gz GRQZBMZDCWPWBO-QGZVFWFLSA-N 2 1 377.330 3.680 20 0 GHADMP Cc1cc(C[N@@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235193945 1040684150 /nfs/dbraw/zinc/68/41/50/1040684150.db2.gz SVWGWBHBIUPTQV-DEOSSOPVSA-N 2 1 398.522 3.690 20 0 GHADMP Cc1cc(C[N@H+]2CCCO[C@@]3(C[NH2+]CCOC3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235193945 1040684157 /nfs/dbraw/zinc/68/41/57/1040684157.db2.gz SVWGWBHBIUPTQV-DEOSSOPVSA-N 2 1 398.522 3.690 20 0 GHADMP Ic1sccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235237379 1040717399 /nfs/dbraw/zinc/71/73/99/1040717399.db2.gz AQZZNPQACVDCRX-AWEZNQCLSA-N 2 1 390.334 3.707 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001235265913 1040745735 /nfs/dbraw/zinc/74/57/35/1040745735.db2.gz LDFUHQPYQXNKPT-IFMALSPDSA-N 2 1 388.600 3.563 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(F)cc1Cl)C2 ZINC001235323437 1040792478 /nfs/dbraw/zinc/79/24/78/1040792478.db2.gz FIKDEOVZALMSAI-GHTZIAJQSA-N 2 1 394.918 3.624 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1c[nH]c3ccc(C)cc13)C2 ZINC001235325613 1040794693 /nfs/dbraw/zinc/79/46/93/1040794693.db2.gz PHGXXCFLODGVER-XUZZJYLKSA-N 2 1 395.547 3.621 20 0 GHADMP FC(F)(F)c1ccc(Br)c(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235334431 1040804084 /nfs/dbraw/zinc/80/40/84/1040804084.db2.gz FKBNTVQBVVTOAX-UHFFFAOYSA-N 2 1 377.248 3.899 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255119963 1040808691 /nfs/dbraw/zinc/80/86/91/1040808691.db2.gz HBEHMFJHAFCDMN-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001255119963 1040808707 /nfs/dbraw/zinc/80/87/07/1040808707.db2.gz HBEHMFJHAFCDMN-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001255119963 1040808726 /nfs/dbraw/zinc/80/87/26/1040808726.db2.gz HBEHMFJHAFCDMN-CCDWMCETSA-N 2 1 375.560 3.715 20 0 GHADMP C[N@@H+](Cc1cccc(F)c1)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001255120975 1040810782 /nfs/dbraw/zinc/81/07/82/1040810782.db2.gz VHWZCMCFQHISEK-XMMPIXPASA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1cccc(F)c1)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255120975 1040810788 /nfs/dbraw/zinc/81/07/88/1040810788.db2.gz VHWZCMCFQHISEK-XMMPIXPASA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1cccc(F)c1)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255120975 1040810804 /nfs/dbraw/zinc/81/08/04/1040810804.db2.gz VHWZCMCFQHISEK-XMMPIXPASA-N 2 1 381.539 3.996 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255122625 1040811925 /nfs/dbraw/zinc/81/19/25/1040811925.db2.gz SUYVEWMFSWVJAC-CWBXHPNXSA-N 2 1 391.559 3.511 20 0 GHADMP CCCCCOc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@]3(C(=O)OCC)C2)cc1 ZINC001235348426 1040822004 /nfs/dbraw/zinc/82/20/04/1040822004.db2.gz FUNUEEGIVXSYHM-REWPJTCUSA-N 2 1 388.552 3.620 20 0 GHADMP c1nc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1Cc1ccncc1 ZINC001255133035 1040830619 /nfs/dbraw/zinc/83/06/19/1040830619.db2.gz OMGVWRTUAJGSAC-VILGAWFOSA-N 2 1 387.531 3.612 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136936 1040839103 /nfs/dbraw/zinc/83/91/03/1040839103.db2.gz ONNTZIZXRIWNLA-AERCQKQUSA-N 2 1 385.552 3.639 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136936 1040839113 /nfs/dbraw/zinc/83/91/13/1040839113.db2.gz ONNTZIZXRIWNLA-AERCQKQUSA-N 2 1 385.552 3.639 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2nc(COCC4CC4)c4c2C[NH2+]C4)C3)cc1 ZINC001255139061 1040843402 /nfs/dbraw/zinc/84/34/02/1040843402.db2.gz CNXWNJHHCYKXFU-AERCQKQUSA-N 2 1 392.547 3.781 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235366152 1040858908 /nfs/dbraw/zinc/85/89/08/1040858908.db2.gz QGDXRYHLISEKKT-QPPBQGQZSA-N 2 1 378.516 3.755 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@@H]21 ZINC001255149527 1040865374 /nfs/dbraw/zinc/86/53/74/1040865374.db2.gz IMCPDKWSPYSNSA-ITBHCLRTSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@@H]21 ZINC001255149527 1040865389 /nfs/dbraw/zinc/86/53/89/1040865389.db2.gz IMCPDKWSPYSNSA-ITBHCLRTSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@@H]21 ZINC001255149527 1040865396 /nfs/dbraw/zinc/86/53/96/1040865396.db2.gz IMCPDKWSPYSNSA-ITBHCLRTSA-N 2 1 397.563 3.733 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150932 1040870581 /nfs/dbraw/zinc/87/05/81/1040870581.db2.gz QCEDPETZIBBEBR-CLAROIROSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150932 1040870595 /nfs/dbraw/zinc/87/05/95/1040870595.db2.gz QCEDPETZIBBEBR-CLAROIROSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150932 1040870606 /nfs/dbraw/zinc/87/06/06/1040870606.db2.gz QCEDPETZIBBEBR-CLAROIROSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150932 1040870617 /nfs/dbraw/zinc/87/06/17/1040870617.db2.gz QCEDPETZIBBEBR-CLAROIROSA-N 2 1 393.531 3.739 20 0 GHADMP CCN1CCC2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1=O ZINC001255151259 1040873044 /nfs/dbraw/zinc/87/30/44/1040873044.db2.gz VBXNFBBKQFLLCL-KOUNCHBCSA-N 2 1 381.564 3.516 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372336 1040880115 /nfs/dbraw/zinc/88/01/15/1040880115.db2.gz TYQCOUIVVISRLS-ZCYQVOJMSA-N 2 1 384.527 3.897 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3cc(Br)cnc31)C2 ZINC001235404427 1040916945 /nfs/dbraw/zinc/91/69/45/1040916945.db2.gz MBXQDUOQFNNSBA-WMZOPIPTSA-N 2 1 378.289 3.521 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001255230593 1040918590 /nfs/dbraw/zinc/91/85/90/1040918590.db2.gz WMVJRBDPDBKAQB-HAGHYFMRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001255230593 1040918599 /nfs/dbraw/zinc/91/85/99/1040918599.db2.gz WMVJRBDPDBKAQB-HAGHYFMRSA-N 2 1 377.573 3.771 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001235407430 1040918659 /nfs/dbraw/zinc/91/86/59/1040918659.db2.gz SEDDVKPDJXAPKP-MJGOQNOKSA-N 2 1 395.931 3.899 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001235407430 1040918660 /nfs/dbraw/zinc/91/86/60/1040918660.db2.gz SEDDVKPDJXAPKP-MJGOQNOKSA-N 2 1 395.931 3.899 20 0 GHADMP COc1cc(OC)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC001235426434 1040928232 /nfs/dbraw/zinc/92/82/32/1040928232.db2.gz KWKFEXPJKAEAED-LSDHHAIUSA-N 2 1 397.357 3.678 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C(F)(F)F)c1OC ZINC001235429601 1040930800 /nfs/dbraw/zinc/93/08/00/1040930800.db2.gz USPKPPRFBKIDNG-GJZGRUSLSA-N 2 1 386.458 3.934 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431225 1040932303 /nfs/dbraw/zinc/93/23/03/1040932303.db2.gz YSOKEPCLZFXCFU-LSDHHAIUSA-N 2 1 397.357 3.678 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432293 1040932987 /nfs/dbraw/zinc/93/29/87/1040932987.db2.gz WVVCOSGSXIKLKB-KGLIPLIRSA-N 2 1 385.321 3.808 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432293 1040932989 /nfs/dbraw/zinc/93/29/89/1040932989.db2.gz WVVCOSGSXIKLKB-KGLIPLIRSA-N 2 1 385.321 3.808 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235432870 1040933101 /nfs/dbraw/zinc/93/31/01/1040933101.db2.gz WSZOSOWINGPWNG-CVEARBPZSA-N 2 1 398.332 3.811 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432854 1040933865 /nfs/dbraw/zinc/93/38/65/1040933865.db2.gz WSVXBWSTTOGUIT-DOTOQJQBSA-N 2 1 398.332 3.811 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255387631 1040976028 /nfs/dbraw/zinc/97/60/28/1040976028.db2.gz URPGJVLFPHOZTL-MLNNCEHLSA-N 2 1 399.579 3.886 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cc4c(s2)CC[NH2+]C4)CCO3)c1 ZINC001235538861 1040980628 /nfs/dbraw/zinc/98/06/28/1040980628.db2.gz RAILSXXPFGXECE-QHCPKHFHSA-N 2 1 397.588 3.574 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cc4c(s2)CC[NH2+]C4)CCO3)c1 ZINC001235538861 1040980632 /nfs/dbraw/zinc/98/06/32/1040980632.db2.gz RAILSXXPFGXECE-QHCPKHFHSA-N 2 1 397.588 3.574 20 0 GHADMP O=C(c1ccsc1)N1CCC2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)CC1 ZINC001235539436 1040980727 /nfs/dbraw/zinc/98/07/27/1040980727.db2.gz YTBVHKPCHYOERS-UHFFFAOYSA-N 2 1 389.609 3.989 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001235558405 1040987236 /nfs/dbraw/zinc/98/72/36/1040987236.db2.gz JBMILYDEDURCSB-QXAKKESOSA-N 2 1 393.597 3.805 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001235558405 1040987238 /nfs/dbraw/zinc/98/72/38/1040987238.db2.gz JBMILYDEDURCSB-QXAKKESOSA-N 2 1 393.597 3.805 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001235558405 1040987258 /nfs/dbraw/zinc/98/72/58/1040987258.db2.gz JBMILYDEDURCSB-QXAKKESOSA-N 2 1 393.597 3.805 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H]21 ZINC001235558405 1040987261 /nfs/dbraw/zinc/98/72/61/1040987261.db2.gz JBMILYDEDURCSB-QXAKKESOSA-N 2 1 393.597 3.805 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255401470 1040987822 /nfs/dbraw/zinc/98/78/22/1040987822.db2.gz VLYBTBVQWPMXFD-JTAQYXEDSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255401470 1040987824 /nfs/dbraw/zinc/98/78/24/1040987824.db2.gz VLYBTBVQWPMXFD-JTAQYXEDSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255401470 1040987827 /nfs/dbraw/zinc/98/78/27/1040987827.db2.gz VLYBTBVQWPMXFD-JTAQYXEDSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255401463 1040987954 /nfs/dbraw/zinc/98/79/54/1040987954.db2.gz VJCNTYPWPTYHTK-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255401463 1040987955 /nfs/dbraw/zinc/98/79/55/1040987955.db2.gz VJCNTYPWPTYHTK-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255401463 1040987957 /nfs/dbraw/zinc/98/79/57/1040987957.db2.gz VJCNTYPWPTYHTK-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP CCc1cccc2c(C[N@@H+]3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c[nH]c21 ZINC001235565979 1040991161 /nfs/dbraw/zinc/99/11/61/1040991161.db2.gz PMCKQZLMVXHDTQ-UHFFFAOYSA-N 2 1 377.536 3.975 20 0 GHADMP CCc1cccc2c(C[N@H+]3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c[nH]c21 ZINC001235565979 1040991176 /nfs/dbraw/zinc/99/11/76/1040991176.db2.gz PMCKQZLMVXHDTQ-UHFFFAOYSA-N 2 1 377.536 3.975 20 0 GHADMP Cc1cccc(CN2CC[C@]3(CC[N@@H+](CCC[NH2+]C4CCCCC4)C3)C2=O)c1 ZINC001235568673 1040991880 /nfs/dbraw/zinc/99/18/80/1040991880.db2.gz GOGFBZHLLHAKBX-DEOSSOPVSA-N 2 1 383.580 3.732 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001235575810 1040994563 /nfs/dbraw/zinc/99/45/63/1040994563.db2.gz QASBJGPONZJVJR-MJGOQNOKSA-N 3 1 397.579 3.917 20 0 GHADMP COC1CC[NH+](C2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)CC1 ZINC001255409124 1040995597 /nfs/dbraw/zinc/99/55/97/1040995597.db2.gz GHRASFZLCHQDJW-QFIPXVFZSA-N 2 1 385.596 3.616 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)ncn1 ZINC001255409116 1040995646 /nfs/dbraw/zinc/99/56/46/1040995646.db2.gz GEXUHDQNXIYGRM-OAQYLSRUSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408818 1040995837 /nfs/dbraw/zinc/99/58/37/1040995837.db2.gz CAGUHVDFXBLHPW-NRFANRHFSA-N 2 1 380.536 3.683 20 0 GHADMP O=C(NC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)N1CCCCC1 ZINC001255410246 1040999706 /nfs/dbraw/zinc/99/97/06/1040999706.db2.gz SESUZPXINFADSR-HSZRJFAPSA-N 2 1 398.595 3.701 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255413754 1041007400 /nfs/dbraw/zinc/00/74/00/1041007400.db2.gz NWYAGWVDJMTOCG-VXNXHJTFSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255413754 1041007416 /nfs/dbraw/zinc/00/74/16/1041007416.db2.gz NWYAGWVDJMTOCG-VXNXHJTFSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255413754 1041007437 /nfs/dbraw/zinc/00/74/37/1041007437.db2.gz NWYAGWVDJMTOCG-VXNXHJTFSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3-c3ccncc3)CC2)C1 ZINC001235620520 1041046410 /nfs/dbraw/zinc/04/64/10/1041046410.db2.gz GAOMYDGHJWQUDM-NRFANRHFSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3-c3ccncc3)CC2)C1 ZINC001235620520 1041046437 /nfs/dbraw/zinc/04/64/37/1041046437.db2.gz GAOMYDGHJWQUDM-NRFANRHFSA-N 2 1 393.531 3.598 20 0 GHADMP C[NH2+]CC1CC[NH+](Cc2c(Br)cccc2Br)CC1 ZINC001235678646 1041141171 /nfs/dbraw/zinc/14/11/71/1041141171.db2.gz NTTIQGWRGGYNDH-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662721 1041201231 /nfs/dbraw/zinc/20/12/31/1041201231.db2.gz RKLLDTYDBHTEEQ-MJIXASBWSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3F)CC[C@@H]21 ZINC001255844818 1041337018 /nfs/dbraw/zinc/33/70/18/1041337018.db2.gz LUHOBUAQZCQBJU-SQMWVJLWSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3F)CC[C@@H]21 ZINC001255844818 1041337028 /nfs/dbraw/zinc/33/70/28/1041337028.db2.gz LUHOBUAQZCQBJU-SQMWVJLWSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3F)CC[C@@H]21 ZINC001255844818 1041337043 /nfs/dbraw/zinc/33/70/43/1041337043.db2.gz LUHOBUAQZCQBJU-SQMWVJLWSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H](C)Cc3ccccc3F)CC[C@@H]21 ZINC001255844818 1041337056 /nfs/dbraw/zinc/33/70/56/1041337056.db2.gz LUHOBUAQZCQBJU-SQMWVJLWSA-N 2 1 384.543 3.827 20 0 GHADMP [NH3+]CCNC(=O)c1cccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)c1 ZINC001235884015 1041411139 /nfs/dbraw/zinc/41/11/39/1041411139.db2.gz FFZUVEJENYAWSO-INIZCTEOSA-N 2 1 392.330 3.671 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001255961947 1041442657 /nfs/dbraw/zinc/44/26/57/1041442657.db2.gz RAVGOHPHQBROBI-MDNUFGMLSA-N 2 1 389.584 3.590 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)cn2)cc1 ZINC001235938584 1041443830 /nfs/dbraw/zinc/44/38/30/1041443830.db2.gz LLYZZCCIIXPUCG-DLBZAZTESA-N 2 1 377.410 3.689 20 0 GHADMP CCOc1cc(C[N@H+](CCOC)C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC001235946618 1041451741 /nfs/dbraw/zinc/45/17/41/1041451741.db2.gz MZVUPGKZLWHRIX-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CCOc1cc(C[N@@H+](CCOC)C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC001235946618 1041451753 /nfs/dbraw/zinc/45/17/53/1041451753.db2.gz MZVUPGKZLWHRIX-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP FC1(CN(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235947913 1041453788 /nfs/dbraw/zinc/45/37/88/1041453788.db2.gz HSSSOZHNBDFODG-HSZRJFAPSA-N 2 1 381.539 3.855 20 0 GHADMP FC1(C[N@H+](Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235947913 1041453801 /nfs/dbraw/zinc/45/38/01/1041453801.db2.gz HSSSOZHNBDFODG-HSZRJFAPSA-N 2 1 381.539 3.855 20 0 GHADMP FC1(C[N@@H+](Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001235947913 1041453813 /nfs/dbraw/zinc/45/38/13/1041453813.db2.gz HSSSOZHNBDFODG-HSZRJFAPSA-N 2 1 381.539 3.855 20 0 GHADMP COC[C@@H](C)[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)Cc1cccc(OC)c1 ZINC001235963198 1041469308 /nfs/dbraw/zinc/46/93/08/1041469308.db2.gz VJWHBJUOBSGTDO-GOSISDBHSA-N 2 1 393.531 3.790 20 0 GHADMP Fc1ccc(C[C@@H]2CCC[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001236009941 1041501302 /nfs/dbraw/zinc/50/13/02/1041501302.db2.gz ZSANDDKUGQZAPD-QHCPKHFHSA-N 2 1 381.539 3.686 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2ccccc2Oc2ccc(Cl)cc2)CC1 ZINC001236066356 1041518829 /nfs/dbraw/zinc/51/88/29/1041518829.db2.gz GLMRGRGFEGRMBB-FQEVSTJZSA-N 2 1 388.895 3.845 20 0 GHADMP Cc1cc(C[N@H+](Cc2ccccc2)Cc2cccc(CN3CC[NH2+]CC3)c2)on1 ZINC001236071894 1041523416 /nfs/dbraw/zinc/52/34/16/1041523416.db2.gz LLEYFSNORKLBKG-UHFFFAOYSA-N 2 1 390.531 3.591 20 0 GHADMP Cc1cc(C[N@@H+](Cc2ccccc2)Cc2cccc(CN3CC[NH2+]CC3)c2)on1 ZINC001236071894 1041523431 /nfs/dbraw/zinc/52/34/31/1041523431.db2.gz LLEYFSNORKLBKG-UHFFFAOYSA-N 2 1 390.531 3.591 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)ccc1Oc1ccc(F)cc1 ZINC001236082757 1041526014 /nfs/dbraw/zinc/52/60/14/1041526014.db2.gz NHTMQUQVLYAOTR-NRFANRHFSA-N 2 1 383.511 3.781 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)Cc1ccc(C[NH3+])cc1 ZINC001236151997 1041573318 /nfs/dbraw/zinc/57/33/18/1041573318.db2.gz ANQNOYHDCVQFBS-SCWSEQNSSA-N 2 1 378.557 3.739 20 0 GHADMP Cc1cc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)cc(C)c1OCCO ZINC001236228865 1041634219 /nfs/dbraw/zinc/63/42/19/1041634219.db2.gz RGPAGOWYXNHAPM-UHFFFAOYSA-N 2 1 382.548 3.947 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236236412 1041637600 /nfs/dbraw/zinc/63/76/00/1041637600.db2.gz KCJCPZWEUSEBGI-JLSDUUJJSA-N 2 1 376.566 3.869 20 0 GHADMP OCCCCCC[N@@H+](Cc1ccccc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236316710 1041668766 /nfs/dbraw/zinc/66/87/66/1041668766.db2.gz UFZDJBHPGOXSMJ-UHFFFAOYSA-N 2 1 381.564 3.651 20 0 GHADMP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc(Br)c1O ZINC001236373388 1041686063 /nfs/dbraw/zinc/68/60/63/1041686063.db2.gz HEBHGLAKRIYUEO-CQSZACIVSA-N 2 1 397.357 3.908 20 0 GHADMP COc1ccc(Br)nc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375357 1041687806 /nfs/dbraw/zinc/68/78/06/1041687806.db2.gz JMBBDGYDZUKTDE-CQSZACIVSA-N 2 1 382.346 3.597 20 0 GHADMP COc1ccc(Br)nc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375357 1041687810 /nfs/dbraw/zinc/68/78/10/1041687810.db2.gz JMBBDGYDZUKTDE-CQSZACIVSA-N 2 1 382.346 3.597 20 0 GHADMP COc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc(F)c1OC ZINC001236383774 1041692249 /nfs/dbraw/zinc/69/22/49/1041692249.db2.gz XDJSQXJTPNRNRH-UHFFFAOYSA-N 2 1 390.474 3.984 20 0 GHADMP COc1ccc(C[N@H+](Cc2cn(C)c3ccc(OC)cc23)C2CC[NH2+]CC2)cc1 ZINC001236441821 1041713640 /nfs/dbraw/zinc/71/36/40/1041713640.db2.gz GCLPBMWHKNVDGM-UHFFFAOYSA-N 2 1 393.531 3.950 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cn(C)c3ccc(OC)cc23)C2CC[NH2+]CC2)cc1 ZINC001236441821 1041713645 /nfs/dbraw/zinc/71/36/45/1041713645.db2.gz GCLPBMWHKNVDGM-UHFFFAOYSA-N 2 1 393.531 3.950 20 0 GHADMP CCOCC[N@H+](Cc1c[nH]c2cccc(Br)c12)C1CC[NH2+]CC1 ZINC001236460968 1041723461 /nfs/dbraw/zinc/72/34/61/1041723461.db2.gz IKAVAMDIMKYVAP-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP CCOCC[N@@H+](Cc1c[nH]c2cccc(Br)c12)C1CC[NH2+]CC1 ZINC001236460968 1041723463 /nfs/dbraw/zinc/72/34/63/1041723463.db2.gz IKAVAMDIMKYVAP-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP CC(C)C[N@H+](Cc1ccc(-n2cccn2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236473233 1041731213 /nfs/dbraw/zinc/73/12/13/1041731213.db2.gz DPTHLCFLCSSTGM-QGZVFWFLSA-N 2 1 391.357 3.845 20 0 GHADMP CC(C)C[N@@H+](Cc1ccc(-n2cccn2)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC001236473233 1041731219 /nfs/dbraw/zinc/73/12/19/1041731219.db2.gz DPTHLCFLCSSTGM-QGZVFWFLSA-N 2 1 391.357 3.845 20 0 GHADMP Cc1ccc(C[N@@H+](CC2CCC3(CC2)OCCO3)C2CC[NH2+]CC2)c(F)c1 ZINC001236492671 1041738154 /nfs/dbraw/zinc/73/81/54/1041738154.db2.gz OGJPZNOGRMTPNL-UHFFFAOYSA-N 2 1 376.516 3.621 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542243 1041756769 /nfs/dbraw/zinc/75/67/69/1041756769.db2.gz BGIPIKDRCBHCDW-MISYRCLQSA-N 2 1 376.541 3.747 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236558644 1041762673 /nfs/dbraw/zinc/76/26/73/1041762673.db2.gz YBHHQHZDSWLAAQ-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP CC[NH+](CC)Cc1cc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1OC ZINC001236559712 1041763244 /nfs/dbraw/zinc/76/32/44/1041763244.db2.gz KLJOVQAPTRPUNE-UHFFFAOYSA-N 2 1 395.547 3.592 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(CN2CCC([NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC001236583525 1041767851 /nfs/dbraw/zinc/76/78/51/1041767851.db2.gz PKURPWOWEFZODR-UHFFFAOYSA-N 2 1 396.554 3.981 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236601678 1041775278 /nfs/dbraw/zinc/77/52/78/1041775278.db2.gz OPPDYHRSVLNNSJ-AWEZNQCLSA-N 2 1 389.927 3.962 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236601678 1041775281 /nfs/dbraw/zinc/77/52/81/1041775281.db2.gz OPPDYHRSVLNNSJ-AWEZNQCLSA-N 2 1 389.927 3.962 20 0 GHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001236622463 1041788654 /nfs/dbraw/zinc/78/86/54/1041788654.db2.gz OGKZNLZDGYWDCZ-SFHVURJKSA-N 2 1 380.374 3.570 20 0 GHADMP CC(C)c1cc(Br)ccc1CN1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001236622463 1041788660 /nfs/dbraw/zinc/78/86/60/1041788660.db2.gz OGKZNLZDGYWDCZ-SFHVURJKSA-N 2 1 380.374 3.570 20 0 GHADMP Fc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1I ZINC001236636226 1041796473 /nfs/dbraw/zinc/79/64/73/1041796473.db2.gz BKEVLRFNLBJPFG-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP COc1ccc2sc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)cc2c1 ZINC001236656365 1041806855 /nfs/dbraw/zinc/80/68/55/1041806855.db2.gz BEUFEDJECVQLEG-KDURUIRLSA-N 2 1 379.529 3.869 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(Cc1cccc3sccc31)CCC2 ZINC001236680148 1041825935 /nfs/dbraw/zinc/82/59/35/1041825935.db2.gz PLSIYNACXMRSED-UHFFFAOYSA-N 2 1 396.560 3.704 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1cccc3sccc31)CCC2 ZINC001236680148 1041825941 /nfs/dbraw/zinc/82/59/41/1041825941.db2.gz PLSIYNACXMRSED-UHFFFAOYSA-N 2 1 396.560 3.704 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1cccc3sccc31)CCC2 ZINC001236680148 1041825947 /nfs/dbraw/zinc/82/59/47/1041825947.db2.gz PLSIYNACXMRSED-UHFFFAOYSA-N 2 1 396.560 3.704 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccc3sccc31)CCC2 ZINC001236680148 1041825951 /nfs/dbraw/zinc/82/59/51/1041825951.db2.gz PLSIYNACXMRSED-UHFFFAOYSA-N 2 1 396.560 3.704 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccc3sccc31)CCC2 ZINC001236680148 1041825955 /nfs/dbraw/zinc/82/59/55/1041825955.db2.gz PLSIYNACXMRSED-UHFFFAOYSA-N 2 1 396.560 3.704 20 0 GHADMP CCOc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001236691938 1041834878 /nfs/dbraw/zinc/83/48/78/1041834878.db2.gz AOJKXIFWHKGVNT-UHFFFAOYSA-N 2 1 384.499 3.503 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cnc2cccc(C)n12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700618 1041840808 /nfs/dbraw/zinc/84/08/08/1041840808.db2.gz MVQHBBBSLHZQDY-MXVIHJGJSA-N 2 1 378.520 3.923 20 0 GHADMP c1cc2c(cccc2C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001236742406 1041869142 /nfs/dbraw/zinc/86/91/42/1041869142.db2.gz CZWKPCLTGBVQNJ-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2c(cccc2C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001236742406 1041869144 /nfs/dbraw/zinc/86/91/44/1041869144.db2.gz CZWKPCLTGBVQNJ-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP Cn1cc(Br)c(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236759609 1041876838 /nfs/dbraw/zinc/87/68/38/1041876838.db2.gz XQMPCMRRGZJIBB-WKILWMFISA-N 2 1 383.378 3.835 20 0 GHADMP COc1cc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cnc1Br ZINC001236781894 1041889273 /nfs/dbraw/zinc/88/92/73/1041889273.db2.gz ASAOEVUUTSPHPF-SHTZXODSSA-N 2 1 384.362 3.971 20 0 GHADMP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c2occc21 ZINC001236892151 1041942720 /nfs/dbraw/zinc/94/27/20/1041942720.db2.gz CQZLTQLGMLFXES-UHFFFAOYSA-N 2 1 382.483 3.813 20 0 GHADMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236959404 1041969846 /nfs/dbraw/zinc/96/98/46/1041969846.db2.gz CUAIDBUBZJXCRK-PMACEKPBSA-N 2 1 375.532 3.501 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236959404 1041969849 /nfs/dbraw/zinc/96/98/49/1041969849.db2.gz CUAIDBUBZJXCRK-PMACEKPBSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236959404 1041969850 /nfs/dbraw/zinc/96/98/50/1041969850.db2.gz CUAIDBUBZJXCRK-PMACEKPBSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236959404 1041969854 /nfs/dbraw/zinc/96/98/54/1041969854.db2.gz CUAIDBUBZJXCRK-PMACEKPBSA-N 2 1 375.532 3.501 20 0 GHADMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)nc2)CC1 ZINC001237014287 1041990555 /nfs/dbraw/zinc/99/05/55/1041990555.db2.gz ZAKYTTIXXYHFHC-UHFFFAOYSA-N 2 1 386.971 3.861 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCC[C@](C)(F)CC2)CC1 ZINC001237092049 1042031560 /nfs/dbraw/zinc/03/15/60/1042031560.db2.gz HVRXBPACIYPOMD-IBGZPJMESA-N 2 1 398.364 3.915 20 0 GHADMP COc1cccc2c(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)ccnc12 ZINC001237109875 1042043632 /nfs/dbraw/zinc/04/36/32/1042043632.db2.gz OUZSVPFLJLSQMY-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1cccc2c(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)ccnc12 ZINC001237109875 1042043636 /nfs/dbraw/zinc/04/36/36/1042043636.db2.gz OUZSVPFLJLSQMY-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1cccc2c(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)ccnc12 ZINC001237109875 1042043641 /nfs/dbraw/zinc/04/36/41/1042043641.db2.gz OUZSVPFLJLSQMY-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1cccc2c(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)ccnc12 ZINC001237109875 1042043648 /nfs/dbraw/zinc/04/36/48/1042043648.db2.gz OUZSVPFLJLSQMY-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237256732 1042110091 /nfs/dbraw/zinc/11/00/91/1042110091.db2.gz ARFDDHSHJFPOGK-COXVUDFISA-N 2 1 387.312 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237256732 1042110096 /nfs/dbraw/zinc/11/00/96/1042110096.db2.gz ARFDDHSHJFPOGK-COXVUDFISA-N 2 1 387.312 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237256732 1042110099 /nfs/dbraw/zinc/11/00/99/1042110099.db2.gz ARFDDHSHJFPOGK-COXVUDFISA-N 2 1 387.312 3.947 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(O)cc(F)c1)CC2 ZINC001237278866 1042120222 /nfs/dbraw/zinc/12/02/22/1042120222.db2.gz MVYMAHFQIZELFP-NRFANRHFSA-N 2 1 384.495 3.787 20 0 GHADMP CCc1cccc(C)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001237322736 1042146881 /nfs/dbraw/zinc/14/68/81/1042146881.db2.gz DHADSNWECSHUEG-GPXNEJASSA-N 2 1 393.579 3.524 20 0 GHADMP CCc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001237322736 1042146886 /nfs/dbraw/zinc/14/68/86/1042146886.db2.gz DHADSNWECSHUEG-GPXNEJASSA-N 2 1 393.579 3.524 20 0 GHADMP CCc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001237322736 1042146891 /nfs/dbraw/zinc/14/68/91/1042146891.db2.gz DHADSNWECSHUEG-GPXNEJASSA-N 2 1 393.579 3.524 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc4ccccn4n2)CC3)c1 ZINC001237440549 1042208488 /nfs/dbraw/zinc/20/84/88/1042208488.db2.gz DGDVBSXVMSEFIP-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP NC(=O)c1cccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001237698774 1042330797 /nfs/dbraw/zinc/33/07/97/1042330797.db2.gz ZQECNFXNOLWJHS-UHFFFAOYSA-N 2 1 377.532 3.664 20 0 GHADMP Cc1cc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc(C)c1-c1ccc(F)cc1 ZINC001238545709 1042635819 /nfs/dbraw/zinc/63/58/19/1042635819.db2.gz BQJOXGCALRXYAB-UHFFFAOYSA-N 2 1 397.538 3.705 20 0 GHADMP COc1cc(F)ccc1-c1cncc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC001238547501 1042636360 /nfs/dbraw/zinc/63/63/60/1042636360.db2.gz YQIHSBYEUMONOS-UHFFFAOYSA-N 2 1 392.478 3.922 20 0 GHADMP CC[NH+](CC)CCn1cc(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)cn1 ZINC001239194041 1042784189 /nfs/dbraw/zinc/78/41/89/1042784189.db2.gz DCODNGABFYYXLC-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001256523369 1043450690 /nfs/dbraw/zinc/45/06/90/1043450690.db2.gz OMXVKBUHSSQUAO-NQIIRXRSSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001256523369 1043450698 /nfs/dbraw/zinc/45/06/98/1043450698.db2.gz OMXVKBUHSSQUAO-NQIIRXRSSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC[N@@H+]1Cc1ccccc1 ZINC001256528341 1043457674 /nfs/dbraw/zinc/45/76/74/1043457674.db2.gz ZVDPZFBIRVWRQZ-OHLDOZIISA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC001256528341 1043457683 /nfs/dbraw/zinc/45/76/83/1043457683.db2.gz ZVDPZFBIRVWRQZ-OHLDOZIISA-N 2 1 399.579 3.885 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256529674 1043460518 /nfs/dbraw/zinc/46/05/18/1043460518.db2.gz FDVOSMFZBYKSPC-HKUYNNGSSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256529674 1043460532 /nfs/dbraw/zinc/46/05/32/1043460532.db2.gz FDVOSMFZBYKSPC-HKUYNNGSSA-N 2 1 375.557 3.932 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256535011 1043473058 /nfs/dbraw/zinc/47/30/58/1043473058.db2.gz WFVABARANKPKPP-AUSIDOKSSA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256535011 1043473066 /nfs/dbraw/zinc/47/30/66/1043473066.db2.gz WFVABARANKPKPP-AUSIDOKSSA-N 2 1 380.532 3.935 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccncc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535140 1043473245 /nfs/dbraw/zinc/47/32/45/1043473245.db2.gz DCYCHZFHZSCYQE-NFBKMPQASA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccncc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256535140 1043473267 /nfs/dbraw/zinc/47/32/67/1043473267.db2.gz DCYCHZFHZSCYQE-NFBKMPQASA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536708 1043481610 /nfs/dbraw/zinc/48/16/10/1043481610.db2.gz FLOKMQKQVYJTGU-IYERYRBDSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256536708 1043481618 /nfs/dbraw/zinc/48/16/18/1043481618.db2.gz FLOKMQKQVYJTGU-IYERYRBDSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536708 1043481629 /nfs/dbraw/zinc/48/16/29/1043481629.db2.gz FLOKMQKQVYJTGU-IYERYRBDSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536708 1043481636 /nfs/dbraw/zinc/48/16/36/1043481636.db2.gz FLOKMQKQVYJTGU-IYERYRBDSA-N 2 1 375.516 3.707 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256556127 1043524510 /nfs/dbraw/zinc/52/45/10/1043524510.db2.gz XFKQAJUYRMPMDP-URXFXBBRSA-N 2 1 393.575 3.866 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256556127 1043524521 /nfs/dbraw/zinc/52/45/21/1043524521.db2.gz XFKQAJUYRMPMDP-URXFXBBRSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256556687 1043524532 /nfs/dbraw/zinc/52/45/32/1043524532.db2.gz GEOHWYAZCFJJHM-YYDGMXKLSA-N 2 1 399.579 3.837 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256556687 1043524540 /nfs/dbraw/zinc/52/45/40/1043524540.db2.gz GEOHWYAZCFJJHM-YYDGMXKLSA-N 2 1 399.579 3.837 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256556687 1043524547 /nfs/dbraw/zinc/52/45/47/1043524547.db2.gz GEOHWYAZCFJJHM-YYDGMXKLSA-N 2 1 399.579 3.837 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256556687 1043524556 /nfs/dbraw/zinc/52/45/56/1043524556.db2.gz GEOHWYAZCFJJHM-YYDGMXKLSA-N 2 1 399.579 3.837 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559029 1043531704 /nfs/dbraw/zinc/53/17/04/1043531704.db2.gz XSEYAMRIOPQZMP-QVGHQYEOSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559029 1043531716 /nfs/dbraw/zinc/53/17/16/1043531716.db2.gz XSEYAMRIOPQZMP-QVGHQYEOSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559029 1043531725 /nfs/dbraw/zinc/53/17/25/1043531725.db2.gz XSEYAMRIOPQZMP-QVGHQYEOSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559029 1043531739 /nfs/dbraw/zinc/53/17/39/1043531739.db2.gz XSEYAMRIOPQZMP-QVGHQYEOSA-N 2 1 392.543 3.928 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256573211 1043546914 /nfs/dbraw/zinc/54/69/14/1043546914.db2.gz FJRIAMXKSXCISB-UHFFFAOYSA-N 2 1 384.490 3.875 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256573211 1043546924 /nfs/dbraw/zinc/54/69/24/1043546924.db2.gz FJRIAMXKSXCISB-UHFFFAOYSA-N 2 1 384.490 3.875 20 0 GHADMP COc1ccccc1CN1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256598024 1043562955 /nfs/dbraw/zinc/56/29/55/1043562955.db2.gz GQTQNJBGVMYNLX-UHFFFAOYSA-N 2 1 393.575 3.914 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256599262 1043563014 /nfs/dbraw/zinc/56/30/14/1043563014.db2.gz OAGLZJLKYISZCL-UHFFFAOYSA-N 2 1 375.557 3.792 20 0 GHADMP O=C1Nc2ccccc2C12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256606267 1043571077 /nfs/dbraw/zinc/57/10/77/1043571077.db2.gz SPVHMETVJNHVNB-UHFFFAOYSA-N 2 1 375.516 3.637 20 0 GHADMP O=C(C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)N1CCCCCC1 ZINC001256611403 1043576288 /nfs/dbraw/zinc/57/62/88/1043576288.db2.gz RLSXXXPBTULCLN-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1 ZINC001256613562 1043576693 /nfs/dbraw/zinc/57/66/93/1043576693.db2.gz PKPOPFDEEPSTLS-UHFFFAOYSA-N 2 1 375.557 3.840 20 0 GHADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256686236 1043622176 /nfs/dbraw/zinc/62/21/76/1043622176.db2.gz MWCTXCUHRMSOQW-KCAONXANSA-N 3 1 397.607 3.758 20 0 GHADMP CCOc1cc2c(cc1OCC)C[N@H+](C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256864992 1043709008 /nfs/dbraw/zinc/70/90/08/1043709008.db2.gz PIPCLIQNHCVVBO-UHFFFAOYSA-N 2 1 381.520 3.906 20 0 GHADMP C[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001256865219 1043711232 /nfs/dbraw/zinc/71/12/32/1043711232.db2.gz VCMUYOPOUBRDLO-UHFFFAOYSA-N 2 1 388.556 3.772 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900903 1043731677 /nfs/dbraw/zinc/73/16/77/1043731677.db2.gz CFGRVVFRJCZLOZ-AUSIDOKSSA-N 2 1 383.536 3.654 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900903 1043731681 /nfs/dbraw/zinc/73/16/81/1043731681.db2.gz CFGRVVFRJCZLOZ-AUSIDOKSSA-N 2 1 383.536 3.654 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256905333 1043732814 /nfs/dbraw/zinc/73/28/14/1043732814.db2.gz OMOFFARKYNHYAN-ONTIZHBOSA-N 2 1 381.564 3.950 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256905333 1043732820 /nfs/dbraw/zinc/73/28/20/1043732820.db2.gz OMOFFARKYNHYAN-ONTIZHBOSA-N 2 1 381.564 3.950 20 0 GHADMP c1ccc2nc(N3CCC([NH2+][C@H]4CCC[N@@H+](C5CCCC5)C4)CC3)cnc2c1 ZINC001256905156 1043733238 /nfs/dbraw/zinc/73/32/38/1043733238.db2.gz QIHMYPBXFNJHAU-IBGZPJMESA-N 2 1 379.552 3.595 20 0 GHADMP c1ccc2nc(N3CCC([NH2+][C@H]4CCC[N@H+](C5CCCC5)C4)CC3)cnc2c1 ZINC001256905156 1043733250 /nfs/dbraw/zinc/73/32/50/1043733250.db2.gz QIHMYPBXFNJHAU-IBGZPJMESA-N 2 1 379.552 3.595 20 0 GHADMP NC(=O)[C@@H]1CC[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C1 ZINC001256932710 1043758485 /nfs/dbraw/zinc/75/84/85/1043758485.db2.gz UOBQQBFFEFEKGC-ZKMFCFPVSA-N 2 1 391.559 3.807 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001292583156 1043795762 /nfs/dbraw/zinc/79/57/62/1043795762.db2.gz ZNLKUKQINRQISI-RCCFBDPRSA-N 2 1 391.522 3.620 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1C(=O)OC(C)(C)C ZINC001257207264 1043936910 /nfs/dbraw/zinc/93/69/10/1043936910.db2.gz ZZOJVXZVEFYASS-MOPGFXCFSA-N 2 1 379.589 3.828 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257826373 1044205369 /nfs/dbraw/zinc/20/53/69/1044205369.db2.gz QLDKGKLLQANDIF-UHFFFAOYSA-N 3 1 375.601 3.990 20 0 GHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC001257842916 1044217040 /nfs/dbraw/zinc/21/70/40/1044217040.db2.gz UAJVWGIYVVSTRI-TUVJXNFZSA-N 2 1 379.589 3.875 20 0 GHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC001257842916 1044217049 /nfs/dbraw/zinc/21/70/49/1044217049.db2.gz UAJVWGIYVVSTRI-TUVJXNFZSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](n2c[nH+]cc2CC[NH3+])C[C@@H]1Cc1ccccc1 ZINC001257967937 1044287144 /nfs/dbraw/zinc/28/71/44/1044287144.db2.gz CJNZOJSOEAGSFM-QUCCMNQESA-N 2 1 384.524 3.568 20 0 GHADMP Fc1cc(Cl)cc(F)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279065849 1044317490 /nfs/dbraw/zinc/31/74/90/1044317490.db2.gz XUOYKYLQUGSGCA-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(Cl)cc(F)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279065849 1044317497 /nfs/dbraw/zinc/31/74/97/1044317497.db2.gz XUOYKYLQUGSGCA-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(Cl)cc(F)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279065849 1044317510 /nfs/dbraw/zinc/31/75/10/1044317510.db2.gz XUOYKYLQUGSGCA-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257991774 1044319723 /nfs/dbraw/zinc/31/97/23/1044319723.db2.gz XWUORZUXRNFTLY-RTWAWAEBSA-N 2 1 389.584 3.881 20 0 GHADMP CC(C)C[NH+]1CCC(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001258012325 1044338223 /nfs/dbraw/zinc/33/82/23/1044338223.db2.gz VSSITTOJDSNTLF-UHFFFAOYSA-N 2 1 383.502 3.943 20 0 GHADMP Cc1ncc(Br)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136812 1044420889 /nfs/dbraw/zinc/42/08/89/1044420889.db2.gz VERKGCFMCOLASM-UHFFFAOYSA-N 2 1 388.353 3.949 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@H](NC3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258137037 1044422458 /nfs/dbraw/zinc/42/24/58/1044422458.db2.gz BLDKGOISAMGSNG-VWLOTQADSA-N 2 1 377.576 3.866 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@H+](Cc3cccnc3)C3CCOCC3)CC2)cc1 ZINC001258146397 1044435562 /nfs/dbraw/zinc/43/55/62/1044435562.db2.gz VYNKVMWHRNCPTH-UHFFFAOYSA-N 2 1 379.548 3.770 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@@H+](Cc3cccnc3)C3CCOCC3)CC2)cc1 ZINC001258146397 1044435570 /nfs/dbraw/zinc/43/55/70/1044435570.db2.gz VYNKVMWHRNCPTH-UHFFFAOYSA-N 2 1 379.548 3.770 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001294139771 1044491987 /nfs/dbraw/zinc/49/19/87/1044491987.db2.gz QCMBPYGVQSAGCZ-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001294139771 1044491995 /nfs/dbraw/zinc/49/19/95/1044491995.db2.gz QCMBPYGVQSAGCZ-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001294139771 1044492004 /nfs/dbraw/zinc/49/20/04/1044492004.db2.gz QCMBPYGVQSAGCZ-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP CC1(C)COC2(CCC([NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)OC1 ZINC001258524049 1044601755 /nfs/dbraw/zinc/60/17/55/1044601755.db2.gz UFSNBNDRDFYEFL-ROUUACIJSA-N 2 1 390.593 3.824 20 0 GHADMP O=C1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC001258568099 1044646443 /nfs/dbraw/zinc/64/64/43/1044646443.db2.gz IYMSFTWJSDGITE-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C1CC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001258582674 1044656472 /nfs/dbraw/zinc/65/64/72/1044656472.db2.gz ADSMYVVSRAPPOQ-GOTSBHOMSA-N 2 1 383.580 3.908 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC(C)(C)C1 ZINC001258684934 1044712941 /nfs/dbraw/zinc/71/29/41/1044712941.db2.gz CRBAYEPAMYDTQU-YRXWBPOGSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC(C)(C)C1 ZINC001258684934 1044712954 /nfs/dbraw/zinc/71/29/54/1044712954.db2.gz CRBAYEPAMYDTQU-YRXWBPOGSA-N 2 1 379.589 3.732 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@@H]1CCC[C@@H](C)C1)CC2 ZINC001258820947 1044775593 /nfs/dbraw/zinc/77/55/93/1044775593.db2.gz QQHDGIDSBVPOKL-CEMLEFRQSA-N 2 1 378.601 3.795 20 0 GHADMP CC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001258840048 1044782692 /nfs/dbraw/zinc/78/26/92/1044782692.db2.gz NTPTWEKYBBILKG-FQEVSTJZSA-N 2 1 377.573 3.834 20 0 GHADMP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@H]1C ZINC001295102927 1044917165 /nfs/dbraw/zinc/91/71/65/1044917165.db2.gz CCKHDQDFTDUVTM-HMXCVIKNSA-N 2 1 397.588 3.516 20 0 GHADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@H]1C ZINC001295102927 1044917167 /nfs/dbraw/zinc/91/71/67/1044917167.db2.gz CCKHDQDFTDUVTM-HMXCVIKNSA-N 2 1 397.588 3.516 20 0 GHADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@H]1C ZINC001295102927 1044917168 /nfs/dbraw/zinc/91/71/68/1044917168.db2.gz CCKHDQDFTDUVTM-HMXCVIKNSA-N 2 1 397.588 3.516 20 0 GHADMP CC[NH+](CC)C1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](CC)C(C)C)CC1 ZINC001295868480 1045175817 /nfs/dbraw/zinc/17/58/17/1045175817.db2.gz MSTIARVQMCKVFR-UHFFFAOYSA-N 2 1 392.636 3.617 20 0 GHADMP Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC001298608201 1045893100 /nfs/dbraw/zinc/89/31/00/1045893100.db2.gz GFXGOGOIVVAHKX-FGCOXFRFSA-N 2 1 393.575 3.525 20 0 GHADMP C[N@H+](CCCO)C1CC[NH+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)CC1 ZINC000573263883 1046204149 /nfs/dbraw/zinc/20/41/49/1046204149.db2.gz MSCMCEVFEAZMRO-OAQYLSRUSA-N 2 1 380.960 3.586 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)CC1 ZINC000573263883 1046204161 /nfs/dbraw/zinc/20/41/61/1046204161.db2.gz MSCMCEVFEAZMRO-OAQYLSRUSA-N 2 1 380.960 3.586 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)o1 ZINC001301866757 1046734297 /nfs/dbraw/zinc/73/42/97/1046734297.db2.gz CQVZLKMVQGLPDA-WIYYLYMNSA-N 2 1 383.536 3.762 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[N@H+]2C1 ZINC001303171507 1047302796 /nfs/dbraw/zinc/30/27/96/1047302796.db2.gz VTUKUBGEKNNRON-ADHNFCLRSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[NH+]2C1 ZINC001303171507 1047302809 /nfs/dbraw/zinc/30/28/09/1047302809.db2.gz VTUKUBGEKNNRON-ADHNFCLRSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[NH+]2C1 ZINC001303171507 1047302822 /nfs/dbraw/zinc/30/28/22/1047302822.db2.gz VTUKUBGEKNNRON-ADHNFCLRSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2CC1 ZINC001279263536 1047751765 /nfs/dbraw/zinc/75/17/65/1047751765.db2.gz SBDJBYPSDAENOL-LZKBNWESSA-N 2 1 377.598 3.799 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2CC1 ZINC001279263536 1047751768 /nfs/dbraw/zinc/75/17/68/1047751768.db2.gz SBDJBYPSDAENOL-LZKBNWESSA-N 2 1 377.598 3.799 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2CC1 ZINC001279263536 1047751769 /nfs/dbraw/zinc/75/17/69/1047751769.db2.gz SBDJBYPSDAENOL-LZKBNWESSA-N 2 1 377.598 3.799 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](CCC[NH+]3CCCCC3)C[C@H]2CC1 ZINC001279275217 1047753309 /nfs/dbraw/zinc/75/33/09/1047753309.db2.gz GZHJMQWFVFNCAD-KDURUIRLSA-N 2 1 375.523 3.849 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]2CC1 ZINC001279275217 1047753314 /nfs/dbraw/zinc/75/33/14/1047753314.db2.gz GZHJMQWFVFNCAD-KDURUIRLSA-N 3 1 375.523 3.849 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@H]2CC1 ZINC001279275217 1047753320 /nfs/dbraw/zinc/75/33/20/1047753320.db2.gz GZHJMQWFVFNCAD-KDURUIRLSA-N 3 1 375.523 3.849 20 0 GHADMP FC(F)(F)CCC[N@H+]1CC[C@H]2C[NH+](CCCN3CCCCC3)C[C@H]2CC1 ZINC001279275217 1047753326 /nfs/dbraw/zinc/75/33/26/1047753326.db2.gz GZHJMQWFVFNCAD-KDURUIRLSA-N 2 1 375.523 3.849 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](CCCN3CCCCC3)C[C@H]2CC1 ZINC001279275217 1047753330 /nfs/dbraw/zinc/75/33/30/1047753330.db2.gz GZHJMQWFVFNCAD-KDURUIRLSA-N 2 1 375.523 3.849 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](CCCN3CCCCC3)C[C@H]2CC1 ZINC001279275217 1047753334 /nfs/dbraw/zinc/75/33/34/1047753334.db2.gz GZHJMQWFVFNCAD-KDURUIRLSA-N 2 1 375.523 3.849 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](CCCN3CCCCC3)C[C@H]2CC1 ZINC001279275217 1047753340 /nfs/dbraw/zinc/75/33/40/1047753340.db2.gz GZHJMQWFVFNCAD-KDURUIRLSA-N 2 1 375.523 3.849 20 0 GHADMP Cn1nc2ccc(Br)cc2c1CN1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279300802 1047759858 /nfs/dbraw/zinc/75/98/58/1047759858.db2.gz SQJBKSZNDRKBMO-UHFFFAOYSA-N 2 1 391.357 3.644 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001279300802 1047759865 /nfs/dbraw/zinc/75/98/65/1047759865.db2.gz SQJBKSZNDRKBMO-UHFFFAOYSA-N 2 1 391.357 3.644 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279300802 1047759868 /nfs/dbraw/zinc/75/98/68/1047759868.db2.gz SQJBKSZNDRKBMO-UHFFFAOYSA-N 2 1 391.357 3.644 20 0 GHADMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)ccc3Cl)(C1)CCC2 ZINC001279351490 1047778312 /nfs/dbraw/zinc/77/83/12/1047778312.db2.gz VGHZMMKXTPHEFN-MOPGFXCFSA-N 2 1 384.351 3.606 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)cc(Cl)cc3Cl)C[C@H]2CC1 ZINC001279404737 1047795506 /nfs/dbraw/zinc/79/55/06/1047795506.db2.gz BBXIBTZTBABUIX-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)cc(Cl)cc3Cl)C[C@H]2CC1 ZINC001279404737 1047795511 /nfs/dbraw/zinc/79/55/11/1047795511.db2.gz BBXIBTZTBABUIX-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3c(F)cc(Cl)cc3Cl)C[C@H]2CC1 ZINC001279404737 1047795515 /nfs/dbraw/zinc/79/55/15/1047795515.db2.gz BBXIBTZTBABUIX-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP Fc1c(Cl)cccc1C[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279438897 1047806255 /nfs/dbraw/zinc/80/62/55/1047806255.db2.gz IBMMDWYBYQQHCO-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP Fc1c(Cl)cccc1C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279438897 1047806259 /nfs/dbraw/zinc/80/62/59/1047806259.db2.gz IBMMDWYBYQQHCO-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c1 ZINC001279659349 1047901621 /nfs/dbraw/zinc/90/16/21/1047901621.db2.gz NXGSTZRLQPOEFF-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cccnc3Cl)C[C@H]2CC1 ZINC001279666894 1047906081 /nfs/dbraw/zinc/90/60/81/1047906081.db2.gz GDUIDFNYPUYHKK-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cccnc3Cl)C[C@H]2CC1 ZINC001279666894 1047906082 /nfs/dbraw/zinc/90/60/82/1047906082.db2.gz GDUIDFNYPUYHKK-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cccnc3Cl)C[C@H]2CC1 ZINC001279666894 1047906083 /nfs/dbraw/zinc/90/60/83/1047906083.db2.gz GDUIDFNYPUYHKK-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109410 1047907544 /nfs/dbraw/zinc/90/75/44/1047907544.db2.gz VGUYUKDRIAVYCR-PSWRPDDJSA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109410 1047907547 /nfs/dbraw/zinc/90/75/47/1047907547.db2.gz VGUYUKDRIAVYCR-PSWRPDDJSA-N 2 1 394.563 3.814 20 0 GHADMP O=c1[nH]c(Cl)c(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001279687386 1047915759 /nfs/dbraw/zinc/91/57/59/1047915759.db2.gz HILSCQUWMPRDNX-UHFFFAOYSA-N 2 1 380.945 3.708 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001279687386 1047915763 /nfs/dbraw/zinc/91/57/63/1047915763.db2.gz HILSCQUWMPRDNX-UHFFFAOYSA-N 2 1 380.945 3.708 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001279687386 1047915771 /nfs/dbraw/zinc/91/57/71/1047915771.db2.gz HILSCQUWMPRDNX-UHFFFAOYSA-N 2 1 380.945 3.708 20 0 GHADMP CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280045956 1048062449 /nfs/dbraw/zinc/06/24/49/1048062449.db2.gz QQTHUNSTAJEPBE-SFHVURJKSA-N 2 1 378.479 3.849 20 0 GHADMP CC(C)(C)OC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280045956 1048062464 /nfs/dbraw/zinc/06/24/64/1048062464.db2.gz QQTHUNSTAJEPBE-SFHVURJKSA-N 2 1 378.479 3.849 20 0 GHADMP CC(C)(C)OC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280045956 1048062480 /nfs/dbraw/zinc/06/24/80/1048062480.db2.gz QQTHUNSTAJEPBE-SFHVURJKSA-N 2 1 378.479 3.849 20 0 GHADMP CC(C)(C)OC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280045956 1048062497 /nfs/dbraw/zinc/06/24/97/1048062497.db2.gz QQTHUNSTAJEPBE-SFHVURJKSA-N 2 1 378.479 3.849 20 0 GHADMP CCOc1ccc(Br)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1F ZINC001280112014 1048086373 /nfs/dbraw/zinc/08/63/73/1048086373.db2.gz LGNWVEGKGCXJJD-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP CCOc1ccc(Br)c(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c1F ZINC001280112014 1048086396 /nfs/dbraw/zinc/08/63/96/1048086396.db2.gz LGNWVEGKGCXJJD-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(C)cc(F)cc1Cl)CC2 ZINC001280227929 1048136684 /nfs/dbraw/zinc/13/66/84/1048136684.db2.gz LRWLKLOTZJKQEG-UHFFFAOYSA-N 2 1 384.923 3.696 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(C)cc(F)cc1Cl)CC2 ZINC001280227929 1048136703 /nfs/dbraw/zinc/13/67/03/1048136703.db2.gz LRWLKLOTZJKQEG-UHFFFAOYSA-N 2 1 384.923 3.696 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)cc1 ZINC001306264013 1048526388 /nfs/dbraw/zinc/52/63/88/1048526388.db2.gz SSCNDJIYBHYUJP-DEOSSOPVSA-N 2 1 377.532 3.517 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1)CC(C)C ZINC001306818660 1048913607 /nfs/dbraw/zinc/91/36/07/1048913607.db2.gz IWKBOEUYUAPVRW-NRFANRHFSA-N 2 1 386.584 3.515 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@H](C)Cc3ccsc3)CC2)cc1 ZINC001307512473 1049354305 /nfs/dbraw/zinc/35/43/05/1049354305.db2.gz FDLJKVRPORPLFW-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)Cc3ccsc3)CC2)cc1 ZINC001307512473 1049354327 /nfs/dbraw/zinc/35/43/27/1049354327.db2.gz FDLJKVRPORPLFW-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)Cc3ccsc3)CC2)cc1 ZINC001307512473 1049354340 /nfs/dbraw/zinc/35/43/40/1049354340.db2.gz FDLJKVRPORPLFW-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)Cc3ccsc3)CC2)cc1 ZINC001307512473 1049354364 /nfs/dbraw/zinc/35/43/64/1049354364.db2.gz FDLJKVRPORPLFW-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC001307627080 1049458866 /nfs/dbraw/zinc/45/88/66/1049458866.db2.gz UIUOJVFAWIRIRQ-LADGPHEKSA-N 2 1 384.564 3.887 20 0 GHADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC001307627080 1049458871 /nfs/dbraw/zinc/45/88/71/1049458871.db2.gz UIUOJVFAWIRIRQ-LADGPHEKSA-N 2 1 384.564 3.887 20 0 GHADMP COC(=O)c1cccc(OCC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001307659622 1049484365 /nfs/dbraw/zinc/48/43/65/1049484365.db2.gz UHSUWILZKGZMFP-MOJGAOKDSA-N 2 1 396.531 3.598 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670799 1049492074 /nfs/dbraw/zinc/49/20/74/1049492074.db2.gz UDTLZNYBTQAYEV-INDMIFKZSA-N 2 1 379.589 3.922 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001307800307 1049599034 /nfs/dbraw/zinc/59/90/34/1049599034.db2.gz PWZHLYGKXUXXSX-ZRCGQRJVSA-N 2 1 384.495 3.651 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC001307923239 1049698341 /nfs/dbraw/zinc/69/83/41/1049698341.db2.gz GBEFZHJWMHNVGL-SFHVURJKSA-N 2 1 383.374 3.899 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCCC1 ZINC001307923239 1049698344 /nfs/dbraw/zinc/69/83/44/1049698344.db2.gz GBEFZHJWMHNVGL-SFHVURJKSA-N 2 1 383.374 3.899 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@@H]1CCCC2 ZINC001308172136 1049899606 /nfs/dbraw/zinc/89/96/06/1049899606.db2.gz CMZHTOWCPJVOSY-UGKGYDQZSA-N 2 1 379.589 3.879 20 0 GHADMP COc1nc(Cl)c(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)n1C ZINC001308190177 1049906577 /nfs/dbraw/zinc/90/65/77/1049906577.db2.gz WBWTZJOQHTYEQB-UHFFFAOYSA-N 2 1 376.932 3.604 20 0 GHADMP Cc1cc(C2OCCO2)c(C)cc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC001308198030 1049909645 /nfs/dbraw/zinc/90/96/45/1049909645.db2.gz XEKPAYYZVZZFKZ-UHFFFAOYSA-N 2 1 380.532 3.887 20 0 GHADMP Cc1cc(C2OCCO2)c(C)cc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC001308198030 1049909647 /nfs/dbraw/zinc/90/96/47/1049909647.db2.gz XEKPAYYZVZZFKZ-UHFFFAOYSA-N 2 1 380.532 3.887 20 0 GHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001308221950 1049917872 /nfs/dbraw/zinc/91/78/72/1049917872.db2.gz FISJPSGHVUXLDC-JAZQRGJZSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001308221950 1049917874 /nfs/dbraw/zinc/91/78/74/1049917874.db2.gz FISJPSGHVUXLDC-JAZQRGJZSA-N 2 1 379.589 3.732 20 0 GHADMP Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001308281123 1049935864 /nfs/dbraw/zinc/93/58/64/1049935864.db2.gz IUPFJWFKVXCKEC-KDURUIRLSA-N 2 1 384.568 3.777 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@H](CN3CCOCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001308565837 1050011754 /nfs/dbraw/zinc/01/17/54/1050011754.db2.gz UHCXPKWBBAGUMF-ILBGXUMGSA-N 2 1 399.623 3.579 20 0 GHADMP O=C1[C@@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC001329500232 1050821348 /nfs/dbraw/zinc/82/13/48/1050821348.db2.gz ZZXHETHHDSLONZ-KRWDZBQOSA-N 2 1 382.335 3.564 20 0 GHADMP O=C1[C@@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC001329500232 1050821363 /nfs/dbraw/zinc/82/13/63/1050821363.db2.gz ZZXHETHHDSLONZ-KRWDZBQOSA-N 2 1 382.335 3.564 20 0 GHADMP c1ccc(C(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019096 1051633079 /nfs/dbraw/zinc/63/30/79/1051633079.db2.gz LELQTTMOSFSCHA-SDZTWWDVSA-N 2 1 398.591 3.772 20 0 GHADMP CN(C)c1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC001311078192 1051833628 /nfs/dbraw/zinc/83/36/28/1051833628.db2.gz DGNZGJKJTLZIJL-CTNGQTDRSA-N 2 1 393.535 3.666 20 0 GHADMP CN(C)c1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC001311078192 1051833635 /nfs/dbraw/zinc/83/36/35/1051833635.db2.gz DGNZGJKJTLZIJL-CTNGQTDRSA-N 2 1 393.535 3.666 20 0 GHADMP Cc1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(=S)n1-c1ccccc1C ZINC001334727205 1051969255 /nfs/dbraw/zinc/96/92/55/1051969255.db2.gz ZHDNOUSBFWUVDK-IPMKNSEASA-N 2 1 385.581 3.640 20 0 GHADMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(=S)n1-c1ccccc1C ZINC001334727205 1051969257 /nfs/dbraw/zinc/96/92/57/1051969257.db2.gz ZHDNOUSBFWUVDK-IPMKNSEASA-N 2 1 385.581 3.640 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C)nc4c3CCCC4)CC2)oc1C ZINC001334941594 1052014419 /nfs/dbraw/zinc/01/44/19/1052014419.db2.gz HHRIUUULSNUYPZ-UHFFFAOYSA-N 2 1 382.552 3.875 20 0 GHADMP CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311419015 1052123042 /nfs/dbraw/zinc/12/30/42/1052123042.db2.gz QAZIQGWKPSKXAK-IRLDBZIGSA-N 2 1 388.600 3.972 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c(Cl)nc21 ZINC001335581559 1052134646 /nfs/dbraw/zinc/13/46/46/1052134646.db2.gz FDLWNMROBMUQBC-YXJHDRRASA-N 2 1 375.948 3.828 20 0 GHADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC001336726316 1052316877 /nfs/dbraw/zinc/31/68/77/1052316877.db2.gz BIIOJULTLHKFEG-OAQYLSRUSA-N 2 1 379.504 3.703 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001311688153 1052330945 /nfs/dbraw/zinc/33/09/45/1052330945.db2.gz JWQIUKSVTAJDKN-LEWJYISDSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC001311711578 1052348808 /nfs/dbraw/zinc/34/88/08/1052348808.db2.gz CRKAEKRSIJPRLX-SYYKKAFVSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001311711578 1052348817 /nfs/dbraw/zinc/34/88/17/1052348817.db2.gz CRKAEKRSIJPRLX-SYYKKAFVSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001311711578 1052348824 /nfs/dbraw/zinc/34/88/24/1052348824.db2.gz CRKAEKRSIJPRLX-SYYKKAFVSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@@H](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001311955686 1052499901 /nfs/dbraw/zinc/49/99/01/1052499901.db2.gz YISNHYYTPPGLCF-AZUAARDMSA-N 2 1 376.589 3.563 20 0 GHADMP CC(C)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1Cl ZINC001311978956 1052511154 /nfs/dbraw/zinc/51/11/54/1052511154.db2.gz ZOHKPSVMWPIBFR-QFBILLFUSA-N 2 1 382.980 3.608 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[NH+](C)Cc1ccccc1 ZINC001311986498 1052514753 /nfs/dbraw/zinc/51/47/53/1052514753.db2.gz LACKEMLKUGCNIH-DENIHFKCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001311986498 1052514759 /nfs/dbraw/zinc/51/47/59/1052514759.db2.gz LACKEMLKUGCNIH-DENIHFKCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001311986498 1052514767 /nfs/dbraw/zinc/51/47/67/1052514767.db2.gz LACKEMLKUGCNIH-DENIHFKCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001312165259 1052609562 /nfs/dbraw/zinc/60/95/62/1052609562.db2.gz BNAYUUPYNBCCQX-ICSRJNTNSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001312338995 1052702339 /nfs/dbraw/zinc/70/23/39/1052702339.db2.gz SFEHFTLLZKUXLU-LEWJYISDSA-N 2 1 380.621 3.554 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001312443549 1052745445 /nfs/dbraw/zinc/74/54/45/1052745445.db2.gz ZBLPATFUWCSIHR-UNMCSNQZSA-N 2 1 384.568 3.517 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001312443549 1052745455 /nfs/dbraw/zinc/74/54/55/1052745455.db2.gz ZBLPATFUWCSIHR-UNMCSNQZSA-N 2 1 384.568 3.517 20 0 GHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001312443549 1052745462 /nfs/dbraw/zinc/74/54/62/1052745462.db2.gz ZBLPATFUWCSIHR-UNMCSNQZSA-N 2 1 384.568 3.517 20 0 GHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001312443549 1052745465 /nfs/dbraw/zinc/74/54/65/1052745465.db2.gz ZBLPATFUWCSIHR-UNMCSNQZSA-N 2 1 384.568 3.517 20 0 GHADMP CCC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001312828454 1052886652 /nfs/dbraw/zinc/88/66/52/1052886652.db2.gz IBGOVVCNVGGBII-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312828454 1052886653 /nfs/dbraw/zinc/88/66/53/1052886653.db2.gz IBGOVVCNVGGBII-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312828454 1052886656 /nfs/dbraw/zinc/88/66/56/1052886656.db2.gz IBGOVVCNVGGBII-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC001312995757 1052929487 /nfs/dbraw/zinc/92/94/87/1052929487.db2.gz ZRTSERJCPVUDEG-AVRDEDQJSA-N 2 1 399.583 3.677 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC001312995757 1052929492 /nfs/dbraw/zinc/92/94/92/1052929492.db2.gz ZRTSERJCPVUDEG-AVRDEDQJSA-N 2 1 399.583 3.677 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001313186816 1052980727 /nfs/dbraw/zinc/98/07/27/1052980727.db2.gz PNYBZAKRXRFJNX-QFIPXVFZSA-N 2 1 398.595 3.619 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001342737078 1053328475 /nfs/dbraw/zinc/32/84/75/1053328475.db2.gz DPEVPRBVINCBOT-XPWALMASSA-N 2 1 383.580 3.524 20 0 GHADMP O=C(Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001344614606 1054599099 /nfs/dbraw/zinc/59/90/99/1054599099.db2.gz SHZVJICUWPTGER-SFHVURJKSA-N 2 1 395.551 3.528 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001318474534 1054664288 /nfs/dbraw/zinc/66/42/88/1054664288.db2.gz ZBJDUOMUCFTDGM-XZOQPEGZSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001318474534 1054664291 /nfs/dbraw/zinc/66/42/91/1054664291.db2.gz ZBJDUOMUCFTDGM-XZOQPEGZSA-N 2 1 398.595 3.551 20 0 GHADMP Cc1nccn1-c1ccncc1NC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC001318552488 1054714486 /nfs/dbraw/zinc/71/44/86/1054714486.db2.gz GBGIOMCNVHBFTC-UHFFFAOYSA-N 2 1 376.338 3.769 20 0 GHADMP O=C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001319288755 1055158301 /nfs/dbraw/zinc/15/83/01/1055158301.db2.gz CZAFSENEWBFJRQ-UXHICEINSA-N 2 1 387.593 3.686 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[NH+]3CCC[C@H]3C2)c1 ZINC001319686940 1055397509 /nfs/dbraw/zinc/39/75/09/1055397509.db2.gz YANAMOHZEJNXNA-QFIPXVFZSA-N 2 1 386.584 3.688 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC001319686940 1055397521 /nfs/dbraw/zinc/39/75/21/1055397521.db2.gz YANAMOHZEJNXNA-QFIPXVFZSA-N 2 1 386.584 3.688 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC001319686940 1055397534 /nfs/dbraw/zinc/39/75/34/1055397534.db2.gz YANAMOHZEJNXNA-QFIPXVFZSA-N 2 1 386.584 3.688 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4cnn(C)c4)cc3)CC2)oc1C ZINC001322402623 1056679375 /nfs/dbraw/zinc/67/93/75/1056679375.db2.gz SHTVQSUTGQACAB-UHFFFAOYSA-N 2 1 393.535 3.694 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)c2)CC1 ZINC001322650596 1056784724 /nfs/dbraw/zinc/78/47/24/1056784724.db2.gz OOTUVFZCBOCFJD-UHFFFAOYSA-N 2 1 393.575 3.827 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001322756743 1056836570 /nfs/dbraw/zinc/83/65/70/1056836570.db2.gz XHQVNZJIYTXOHE-YADHBBJMSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001322756743 1056836576 /nfs/dbraw/zinc/83/65/76/1056836576.db2.gz XHQVNZJIYTXOHE-YADHBBJMSA-N 2 1 381.495 3.597 20 0 GHADMP CC(C)N(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848237462 1056929013 /nfs/dbraw/zinc/92/90/13/1056929013.db2.gz CUGRUDSSXIPIJN-XMMPIXPASA-N 2 1 393.575 3.916 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC001323976532 1057048136 /nfs/dbraw/zinc/04/81/36/1057048136.db2.gz HWYVZGVBNGWTTK-LSDHHAIUSA-N 2 1 387.446 3.624 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001324115858 1057073628 /nfs/dbraw/zinc/07/36/28/1057073628.db2.gz NXEVEJZNOMJJKB-NOTZXAQLSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)c1ccccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000848537017 1057158419 /nfs/dbraw/zinc/15/84/19/1057158419.db2.gz ZZLRGRGAUGEMGE-JOCHJYFZSA-N 2 1 379.548 3.797 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(NC(=O)OC(C)(C)C)c1 ZINC000848553613 1057175265 /nfs/dbraw/zinc/17/52/65/1057175265.db2.gz LXNITQBBPZJYQS-FQEVSTJZSA-N 2 1 389.540 3.685 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)[NH+](C)C ZINC001325019080 1057264302 /nfs/dbraw/zinc/26/43/02/1057264302.db2.gz VWRRAXYAHWCWAA-PTUXOGIPSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)[NH+](C)C ZINC001325019080 1057264308 /nfs/dbraw/zinc/26/43/08/1057264308.db2.gz VWRRAXYAHWCWAA-PTUXOGIPSA-N 2 1 394.563 3.552 20 0 GHADMP COc1ccc(NC(=[NH2+])NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000848989557 1057492768 /nfs/dbraw/zinc/49/27/68/1057492768.db2.gz WSPCFXMPBQMWMB-PKOBYXMFSA-N 2 1 396.535 3.941 20 0 GHADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001327088764 1057595918 /nfs/dbraw/zinc/59/59/18/1057595918.db2.gz BUYBIIFXXASCFU-QFIPXVFZSA-N 2 1 393.531 3.841 20 0 GHADMP C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001440633706 1058551906 /nfs/dbraw/zinc/55/19/06/1058551906.db2.gz BJKGJBHORSLABL-NHCUHLMSSA-N 2 1 385.596 3.710 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1Cl ZINC001338637708 1058702596 /nfs/dbraw/zinc/70/25/96/1058702596.db2.gz IUUXBXYNUZTSPU-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001441221449 1058727669 /nfs/dbraw/zinc/72/76/69/1058727669.db2.gz CZMDEAYCDGHJLM-PKTZIBPZSA-N 2 1 379.548 3.850 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)C2CC[NH+](CC(C)C)CC2)CC1)CC(C)C ZINC001446739181 1059846240 /nfs/dbraw/zinc/84/62/40/1059846240.db2.gz ACYCIHNXEOEBEX-UHFFFAOYSA-N 2 1 379.633 3.961 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001448119575 1060113370 /nfs/dbraw/zinc/11/33/70/1060113370.db2.gz JZFVRXCFFJBNFS-PKTZIBPZSA-N 2 1 381.564 3.952 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[C@H]2[NH3+])C1CCCCC1 ZINC001340774814 1060114793 /nfs/dbraw/zinc/11/47/93/1060114793.db2.gz VWFFLRXGILPRHV-GOSISDBHSA-N 2 1 381.524 3.694 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001453209075 1061092359 /nfs/dbraw/zinc/09/23/59/1061092359.db2.gz GOOQVMPHPUQNJP-WMZOPIPTSA-N 2 1 393.641 3.901 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC001453209075 1061092379 /nfs/dbraw/zinc/09/23/79/1061092379.db2.gz GOOQVMPHPUQNJP-WMZOPIPTSA-N 2 1 393.641 3.901 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001345955084 1061241194 /nfs/dbraw/zinc/24/11/94/1061241194.db2.gz ALUAQLGUTVRVCH-UHFFFAOYSA-N 2 1 389.341 3.600 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C1CC[NH2+]CC1 ZINC001346105332 1061365755 /nfs/dbraw/zinc/36/57/55/1061365755.db2.gz YHRYEJIAFAWKPJ-INIZCTEOSA-N 2 1 383.540 3.513 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001454880595 1061950782 /nfs/dbraw/zinc/95/07/82/1061950782.db2.gz SLWYYRQRIQHCRJ-ISKFKSNPSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001454880595 1061950787 /nfs/dbraw/zinc/95/07/87/1061950787.db2.gz SLWYYRQRIQHCRJ-ISKFKSNPSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001454880595 1061950794 /nfs/dbraw/zinc/95/07/94/1061950794.db2.gz SLWYYRQRIQHCRJ-ISKFKSNPSA-N 2 1 397.607 3.854 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001347189293 1062198416 /nfs/dbraw/zinc/19/84/16/1062198416.db2.gz QLJFCDKGOLRSNF-VGSWGCGISA-N 2 1 394.450 3.599 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001347189293 1062198438 /nfs/dbraw/zinc/19/84/38/1062198438.db2.gz QLJFCDKGOLRSNF-VGSWGCGISA-N 2 1 394.450 3.599 20 0 GHADMP COc1cccc(-c2nc3ccccc3c(NCC[N@H+](C)CCC[NH+](C)C)n2)c1 ZINC001458478957 1063835368 /nfs/dbraw/zinc/83/53/68/1063835368.db2.gz OPMJQJDUGBTEAJ-UHFFFAOYSA-N 2 1 393.535 3.601 20 0 GHADMP COc1cccc(-c2nc3ccccc3c(NCC[N@@H+](C)CCC[NH+](C)C)n2)c1 ZINC001458478957 1063835385 /nfs/dbraw/zinc/83/53/85/1063835385.db2.gz OPMJQJDUGBTEAJ-UHFFFAOYSA-N 2 1 393.535 3.601 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2nsc3ccccc32)CC1 ZINC001459784914 1064216798 /nfs/dbraw/zinc/21/67/98/1064216798.db2.gz IIOQNRJQYFMFIE-UHFFFAOYSA-N 2 1 375.582 3.909 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCCC[C@H]3C(C)C)cc2)CC1 ZINC001459830670 1064236310 /nfs/dbraw/zinc/23/63/10/1064236310.db2.gz MAYBAIBTIRBVQE-QFIPXVFZSA-N 2 1 386.584 3.668 20 0 GHADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCC[N@H+]3C3CCCC3)n2C)CC1 ZINC001351240905 1064321528 /nfs/dbraw/zinc/32/15/28/1064321528.db2.gz PHFLWBWEUHPJBU-FQEVSTJZSA-N 2 1 388.604 3.595 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[NH+]3C[C@H](C)C[C@H](C)C3)C[N@H+]2C1 ZINC001464204174 1064906124 /nfs/dbraw/zinc/90/61/24/1064906124.db2.gz QCDXYAVQTNXZDQ-KUNFZNJOSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@H+]3C[C@H](C)C[C@H](C)C3)C[NH+]2C1 ZINC001464204174 1064906127 /nfs/dbraw/zinc/90/61/27/1064906127.db2.gz QCDXYAVQTNXZDQ-KUNFZNJOSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C[NH+]2C1 ZINC001464204174 1064906132 /nfs/dbraw/zinc/90/61/32/1064906132.db2.gz QCDXYAVQTNXZDQ-KUNFZNJOSA-N 2 1 397.607 3.901 20 0 GHADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001464801591 1065219610 /nfs/dbraw/zinc/21/96/10/1065219610.db2.gz MYFCBVLSNHKYLC-NRFANRHFSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001464801591 1065219617 /nfs/dbraw/zinc/21/96/17/1065219617.db2.gz MYFCBVLSNHKYLC-NRFANRHFSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001464801591 1065219626 /nfs/dbraw/zinc/21/96/26/1065219626.db2.gz MYFCBVLSNHKYLC-NRFANRHFSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001464801591 1065219634 /nfs/dbraw/zinc/21/96/34/1065219634.db2.gz MYFCBVLSNHKYLC-NRFANRHFSA-N 2 1 375.532 3.513 20 0 GHADMP C[NH+](C)Cc1cc(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)no1 ZINC001352818078 1065337206 /nfs/dbraw/zinc/33/72/06/1065337206.db2.gz MIOGOXSOVDKRLV-UHFFFAOYSA-N 2 1 390.915 3.522 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001467630054 1067391804 /nfs/dbraw/zinc/39/18/04/1067391804.db2.gz KTZYODPJFSNCOG-LJQANCHMSA-N 2 1 380.964 3.508 20 0 GHADMP CC[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001467674806 1067412198 /nfs/dbraw/zinc/41/21/98/1067412198.db2.gz BBWRIZQGHPNTLT-JTHBVZDNSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001467674806 1067412205 /nfs/dbraw/zinc/41/22/05/1067412205.db2.gz BBWRIZQGHPNTLT-JTHBVZDNSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001467740647 1067445543 /nfs/dbraw/zinc/44/55/43/1067445543.db2.gz SWKRZVOZHVOBOX-FQEVSTJZSA-N 2 1 388.600 3.851 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001467740647 1067445549 /nfs/dbraw/zinc/44/55/49/1067445549.db2.gz SWKRZVOZHVOBOX-FQEVSTJZSA-N 2 1 388.600 3.851 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001467740647 1067445558 /nfs/dbraw/zinc/44/55/58/1067445558.db2.gz SWKRZVOZHVOBOX-FQEVSTJZSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC001477725780 1078543162 /nfs/dbraw/zinc/54/31/62/1078543162.db2.gz CCACTQMHMNEFSM-JOCHJYFZSA-N 2 1 388.600 3.707 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001468100209 1067595473 /nfs/dbraw/zinc/59/54/73/1067595473.db2.gz RRUPRCQXYNOENC-SFTDATJTSA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001477796569 1078570222 /nfs/dbraw/zinc/57/02/22/1078570222.db2.gz ANRRKOPZHAYXRD-JOCHJYFZSA-N 2 1 392.632 3.939 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001477796569 1078570227 /nfs/dbraw/zinc/57/02/27/1078570227.db2.gz ANRRKOPZHAYXRD-JOCHJYFZSA-N 2 1 392.632 3.939 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001477796569 1078570234 /nfs/dbraw/zinc/57/02/34/1078570234.db2.gz ANRRKOPZHAYXRD-JOCHJYFZSA-N 2 1 392.632 3.939 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1)CC(C)C ZINC001468609923 1067789713 /nfs/dbraw/zinc/78/97/13/1067789713.db2.gz HWTNDUZXPORTTR-SFTDATJTSA-N 2 1 380.621 3.649 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)[NH+](CC)CC)cc1 ZINC001477866079 1078601547 /nfs/dbraw/zinc/60/15/47/1078601547.db2.gz YGQCISJXODUCTB-FCHUYYIVSA-N 2 1 388.600 3.806 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCC1)c1ccccc1 ZINC001468829049 1067903161 /nfs/dbraw/zinc/90/31/61/1067903161.db2.gz BSAGLKNOJTXFLN-UYAOXDASSA-N 2 1 386.584 3.822 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769145095 1068328619 /nfs/dbraw/zinc/32/86/19/1068328619.db2.gz BGTFPZVKOPCRGX-IBGZPJMESA-N 2 1 391.556 3.506 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C2CCC2)cc1 ZINC001469784254 1068385628 /nfs/dbraw/zinc/38/56/28/1068385628.db2.gz GBVRGRFXYMOOFM-QFIPXVFZSA-N 2 1 386.584 3.512 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC001469978781 1068500639 /nfs/dbraw/zinc/50/06/39/1068500639.db2.gz KFLPWKHRLYFDKC-HSZRJFAPSA-N 2 1 398.595 3.619 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC001469978781 1068500647 /nfs/dbraw/zinc/50/06/47/1068500647.db2.gz KFLPWKHRLYFDKC-HSZRJFAPSA-N 2 1 398.595 3.619 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001460615143 1069033335 /nfs/dbraw/zinc/03/33/35/1069033335.db2.gz IOAPGZYPQFEFET-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460615143 1069033349 /nfs/dbraw/zinc/03/33/49/1069033349.db2.gz IOAPGZYPQFEFET-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460615143 1069033366 /nfs/dbraw/zinc/03/33/66/1069033366.db2.gz IOAPGZYPQFEFET-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP COc1cccc(C[NH+]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)c1 ZINC001460654198 1069059995 /nfs/dbraw/zinc/05/99/95/1069059995.db2.gz ONLOKYJMNJKEGX-UHFFFAOYSA-N 2 1 393.575 3.999 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001460671183 1069074926 /nfs/dbraw/zinc/07/49/26/1069074926.db2.gz MQOHKZOSLBVTBY-DEOSSOPVSA-N 3 1 387.612 3.577 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC001478599911 1078930824 /nfs/dbraw/zinc/93/08/24/1078930824.db2.gz NIMITFBJXFALGN-REWPJTCUSA-N 2 1 394.563 3.514 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)CCC1 ZINC001478655832 1078947297 /nfs/dbraw/zinc/94/72/97/1078947297.db2.gz CJCFHDHJJFEESV-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001478655832 1078947299 /nfs/dbraw/zinc/94/72/99/1078947299.db2.gz CJCFHDHJJFEESV-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC001478655832 1078947302 /nfs/dbraw/zinc/94/73/02/1078947302.db2.gz CJCFHDHJJFEESV-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001470823545 1072756336 /nfs/dbraw/zinc/75/63/36/1072756336.db2.gz LHYLVNCONOPTQK-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823545 1072756341 /nfs/dbraw/zinc/75/63/41/1072756341.db2.gz LHYLVNCONOPTQK-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823545 1072756345 /nfs/dbraw/zinc/75/63/45/1072756345.db2.gz LHYLVNCONOPTQK-FYYLOGMGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1[C@@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001478766707 1078979964 /nfs/dbraw/zinc/97/99/64/1078979964.db2.gz RTNADOGNROBZOC-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)C1 ZINC001471045109 1072901777 /nfs/dbraw/zinc/90/17/77/1072901777.db2.gz HVUDZLNDNXTBNG-FGZHOGPDSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001471045109 1072901779 /nfs/dbraw/zinc/90/17/79/1072901779.db2.gz HVUDZLNDNXTBNG-FGZHOGPDSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001471045109 1072901780 /nfs/dbraw/zinc/90/17/80/1072901780.db2.gz HVUDZLNDNXTBNG-FGZHOGPDSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001478890541 1079016481 /nfs/dbraw/zinc/01/64/81/1079016481.db2.gz BOUHISOVQJULJK-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001478890541 1079016488 /nfs/dbraw/zinc/01/64/88/1079016488.db2.gz BOUHISOVQJULJK-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001478890541 1079016497 /nfs/dbraw/zinc/01/64/97/1079016497.db2.gz BOUHISOVQJULJK-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001478891489 1079016513 /nfs/dbraw/zinc/01/65/13/1079016513.db2.gz MWSVVHLFMBXZIK-JMJGKCIBSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001478891489 1079016521 /nfs/dbraw/zinc/01/65/21/1079016521.db2.gz MWSVVHLFMBXZIK-JMJGKCIBSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001478891489 1079016529 /nfs/dbraw/zinc/01/65/29/1079016529.db2.gz MWSVVHLFMBXZIK-JMJGKCIBSA-N 2 1 398.595 3.870 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001471532557 1073119433 /nfs/dbraw/zinc/11/94/33/1073119433.db2.gz QUVKBFKKAZRUSM-QFIPXVFZSA-N 2 1 388.600 3.614 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001472331187 1073427806 /nfs/dbraw/zinc/42/78/06/1073427806.db2.gz PBPMVYMQIUICOM-VABKMULXSA-N 2 1 383.580 3.620 20 0 GHADMP CCCC(=O)NC1CC[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001473105543 1073783051 /nfs/dbraw/zinc/78/30/51/1073783051.db2.gz NCUWJMUMUOGSSM-UHFFFAOYSA-N 2 1 385.596 3.712 20 0 GHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001473223231 1073872130 /nfs/dbraw/zinc/87/21/30/1073872130.db2.gz WZNHREFTUSALLD-SDHOMARFSA-N 2 1 396.575 3.848 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001473223231 1073872136 /nfs/dbraw/zinc/87/21/36/1073872136.db2.gz WZNHREFTUSALLD-SDHOMARFSA-N 2 1 396.575 3.848 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001473223231 1073872144 /nfs/dbraw/zinc/87/21/44/1073872144.db2.gz WZNHREFTUSALLD-SDHOMARFSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001473223231 1073872147 /nfs/dbraw/zinc/87/21/47/1073872147.db2.gz WZNHREFTUSALLD-SDHOMARFSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001473223231 1073872154 /nfs/dbraw/zinc/87/21/54/1073872154.db2.gz WZNHREFTUSALLD-SDHOMARFSA-N 2 1 396.575 3.848 20 0 GHADMP CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001473275614 1073902599 /nfs/dbraw/zinc/90/25/99/1073902599.db2.gz JJUBZUCDBGLLID-OAQYLSRUSA-N 2 1 386.584 3.812 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(c2ccccc2Cl)CCC1)c1ccccc1 ZINC001473612861 1074049104 /nfs/dbraw/zinc/04/91/04/1074049104.db2.gz GXMYPCJKQXOPDC-FQEVSTJZSA-N 2 1 385.939 3.728 20 0 GHADMP O=C1CCCN1C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473712532 1074101965 /nfs/dbraw/zinc/10/19/65/1074101965.db2.gz FOYHGERKEQIBKU-DEOSSOPVSA-N 2 1 397.607 3.808 20 0 GHADMP O=C1CCCN1C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473712532 1074101967 /nfs/dbraw/zinc/10/19/67/1074101967.db2.gz FOYHGERKEQIBKU-DEOSSOPVSA-N 2 1 397.607 3.808 20 0 GHADMP Cc1c(O)ccc2c(C[N@H+]3CCC[C@H]3CC[NH+]3CCC(C)CC3)cc(=O)oc12 ZINC001473716091 1074104447 /nfs/dbraw/zinc/10/44/47/1074104447.db2.gz AFYBTQUMNNQPHS-IBGZPJMESA-N 2 1 384.520 3.893 20 0 GHADMP Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H]3CC[NH+]3CCC(C)CC3)cc(=O)oc12 ZINC001473716091 1074104452 /nfs/dbraw/zinc/10/44/52/1074104452.db2.gz AFYBTQUMNNQPHS-IBGZPJMESA-N 2 1 384.520 3.893 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)[C@H](c2ccccc2)C1 ZINC001473927368 1074206389 /nfs/dbraw/zinc/20/63/89/1074206389.db2.gz JZNGSOZPKVWKEH-QHCPKHFHSA-N 2 1 393.575 3.869 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C4CCOCC4)C3)cc2)CC1 ZINC001473935669 1074210281 /nfs/dbraw/zinc/21/02/81/1074210281.db2.gz BULDUVXFXZECCG-JWQCQUIFSA-N 2 1 399.623 3.899 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCc2ccccc21 ZINC001473969535 1074221191 /nfs/dbraw/zinc/22/11/91/1074221191.db2.gz PIUPLSGQLQICKB-IBGZPJMESA-N 2 1 381.539 3.873 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC001473988646 1074227188 /nfs/dbraw/zinc/22/71/88/1074227188.db2.gz PAPQYAOHDHTAQI-QGZVFWFLSA-N 2 1 385.499 3.776 20 0 GHADMP C[C@]1(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001474130022 1074271310 /nfs/dbraw/zinc/27/13/10/1074271310.db2.gz DHUPZZXAZSRXEE-RUZDIDTESA-N 2 1 391.559 3.924 20 0 GHADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001474380760 1074375623 /nfs/dbraw/zinc/37/56/23/1074375623.db2.gz BEZFKDOCEGNNMG-AWEZNQCLSA-N 2 1 392.446 3.838 20 0 GHADMP Cc1ccccc1OCC[N@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001474405961 1074391799 /nfs/dbraw/zinc/39/17/99/1074391799.db2.gz LAPOAQZWWABYQA-UHFFFAOYSA-N 2 1 392.446 3.889 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Sc2ccccn2)o1 ZINC001474501219 1074434701 /nfs/dbraw/zinc/43/47/01/1074434701.db2.gz WXLPRXWETPDURM-SFHVURJKSA-N 2 1 388.581 3.674 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000820709851 607473036 /nfs/dbraw/zinc/47/30/36/607473036.db2.gz MLWIGOZUDNGHJU-MRXNPFEDSA-N 2 1 394.498 3.528 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000820709851 607473038 /nfs/dbraw/zinc/47/30/38/607473038.db2.gz MLWIGOZUDNGHJU-MRXNPFEDSA-N 2 1 394.498 3.528 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414507 607088230 /nfs/dbraw/zinc/08/82/30/607088230.db2.gz YQOTZEZHAVDXCE-WWMYMODYSA-N 2 1 376.508 3.570 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414507 607088231 /nfs/dbraw/zinc/08/82/31/607088231.db2.gz YQOTZEZHAVDXCE-WWMYMODYSA-N 2 1 376.508 3.570 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585794 607808418 /nfs/dbraw/zinc/80/84/18/607808418.db2.gz UDFWTKKLXJVOCQ-HBFSDRIKSA-N 2 1 390.535 3.818 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ncccc4C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001164622280 719111187 /nfs/dbraw/zinc/11/11/87/719111187.db2.gz BPRWQZKCRXMCQY-FYYLOGMGSA-N 2 1 376.548 3.778 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164635330 719237600 /nfs/dbraw/zinc/23/76/00/719237600.db2.gz PRDOEFLZQWACHC-KBPBESRZSA-N 2 1 375.586 3.679 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164635330 719237602 /nfs/dbraw/zinc/23/76/02/719237602.db2.gz PRDOEFLZQWACHC-KBPBESRZSA-N 2 1 375.586 3.679 20 0 GHADMP c1ccc2c(c1)CCN2Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655687054 837607275 /nfs/dbraw/zinc/60/72/75/837607275.db2.gz TWJPICZJNAISRD-XMMPIXPASA-N 2 1 391.559 3.592 20 0 GHADMP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000655691396 837671702 /nfs/dbraw/zinc/67/17/02/837671702.db2.gz AEWACGIOIIOCFJ-FXAWDEMLSA-N 2 1 376.541 3.778 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655691960 837674774 /nfs/dbraw/zinc/67/47/74/837674774.db2.gz JEKXBOXJWLWRCU-YOSAUDMPSA-N 3 1 385.596 3.507 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000655704954 837696299 /nfs/dbraw/zinc/69/62/99/837696299.db2.gz RDQFSISWFBLRNO-GOSISDBHSA-N 2 1 381.358 3.570 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000655711324 837704166 /nfs/dbraw/zinc/70/41/66/837704166.db2.gz HJOGLYFJSHIYAY-UHFFFAOYSA-N 2 1 388.313 3.628 20 0 GHADMP COCCSc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655708698 837714301 /nfs/dbraw/zinc/71/43/01/837714301.db2.gz MBKBQZYVAUMJAC-PXNSSMCTSA-N 2 1 378.582 3.719 20 0 GHADMP FC(F)(F)c1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655715485 837718307 /nfs/dbraw/zinc/71/83/07/837718307.db2.gz KPRUSNBVBVHWKI-ICSRJNTNSA-N 2 1 397.485 3.517 20 0 GHADMP Fc1cc(Br)ccc1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655715500 837718440 /nfs/dbraw/zinc/71/84/40/837718440.db2.gz KVNOIAZYQYARAF-SFHVURJKSA-N 2 1 399.348 3.754 20 0 GHADMP c1sc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nc1C1CCCCC1 ZINC000655731260 837767016 /nfs/dbraw/zinc/76/70/16/837767016.db2.gz WFRGHTAOWRJVBM-LJQANCHMSA-N 2 1 377.598 3.966 20 0 GHADMP c1ccc(COc2cccc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)cc1 ZINC000655736537 837775497 /nfs/dbraw/zinc/77/54/97/837775497.db2.gz RNCOHXBBSBUNNL-QHCPKHFHSA-N 2 1 380.532 3.651 20 0 GHADMP CCN(C)[C@H](C(=O)OC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378217 834503755 /nfs/dbraw/zinc/50/37/55/834503755.db2.gz LTIIFORQBXNLGH-PUHATCMVSA-N 2 1 396.531 3.924 20 0 GHADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821431 834689339 /nfs/dbraw/zinc/68/93/39/834689339.db2.gz FFHVJMJEASDTFB-LJQANCHMSA-N 2 1 380.536 3.956 20 0 GHADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1cccc(Br)c1 ZINC000650723810 834705622 /nfs/dbraw/zinc/70/56/22/834705622.db2.gz UGZFHKABAUAEIG-AXUOBQJMSA-N 2 1 381.358 3.913 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2Cl)C1 ZINC000650724098 834709480 /nfs/dbraw/zinc/70/94/80/834709480.db2.gz YGVBTWDMYVDZAC-DJIMGWMZSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2Cl)C1 ZINC000650724098 834709483 /nfs/dbraw/zinc/70/94/83/834709483.db2.gz YGVBTWDMYVDZAC-DJIMGWMZSA-N 2 1 387.749 3.963 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000583597800 834720598 /nfs/dbraw/zinc/72/05/98/834720598.db2.gz GGZOLUACFYFRBZ-LPHOPBHVSA-N 2 1 380.964 3.505 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657875687 834869923 /nfs/dbraw/zinc/86/99/23/834869923.db2.gz HRZLFPUEKIAPTH-PZJWPPBQSA-N 2 1 391.987 3.899 20 0 GHADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000657878549 834881508 /nfs/dbraw/zinc/88/15/08/834881508.db2.gz WFLQDAPDAYTFKY-UXHICEINSA-N 2 1 387.612 3.909 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccc(C)cc4)C3)CC2)CC1 ZINC000654997488 834936340 /nfs/dbraw/zinc/93/63/40/834936340.db2.gz ZBRUCIRUYXMMEJ-JOCHJYFZSA-N 2 1 383.580 3.507 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457233 835021824 /nfs/dbraw/zinc/02/18/24/835021824.db2.gz NAEFCCKLDACJHG-XMMPIXPASA-N 2 1 393.575 3.963 20 0 GHADMP COc1ccsc1C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000685468679 835033389 /nfs/dbraw/zinc/03/33/89/835033389.db2.gz KLPSMKNWEQCDTE-UHFFFAOYSA-N 2 1 389.565 3.874 20 0 GHADMP COc1ccsc1C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000685468679 835033394 /nfs/dbraw/zinc/03/33/94/835033394.db2.gz KLPSMKNWEQCDTE-UHFFFAOYSA-N 2 1 389.565 3.874 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnn(C(C)(C)C)c3)CC2)c1C ZINC000685468584 835033588 /nfs/dbraw/zinc/03/35/88/835033588.db2.gz BORLRUKTBKIVDD-UHFFFAOYSA-N 2 1 399.583 3.755 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnn(C(C)(C)C)c3)CC2)c1C ZINC000685468584 835033598 /nfs/dbraw/zinc/03/35/98/835033598.db2.gz BORLRUKTBKIVDD-UHFFFAOYSA-N 2 1 399.583 3.755 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000685470523 835035923 /nfs/dbraw/zinc/03/59/23/835035923.db2.gz BKLBBQYCJLRSQH-FQEVSTJZSA-N 2 1 378.520 3.641 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000510085481 835047023 /nfs/dbraw/zinc/04/70/23/835047023.db2.gz MLODMAIQSUUPLG-QHCPKHFHSA-N 2 1 385.596 3.966 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000583812128 835072995 /nfs/dbraw/zinc/07/29/95/835072995.db2.gz RLZZTGNZWRBFPI-XPNTWCBSSA-N 3 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000583812128 835073006 /nfs/dbraw/zinc/07/30/06/835073006.db2.gz RLZZTGNZWRBFPI-XPNTWCBSSA-N 3 1 385.596 3.663 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685632470 835240332 /nfs/dbraw/zinc/24/03/32/835240332.db2.gz ZLGTWXPDNWXOBJ-FQEVSTJZSA-N 2 1 375.520 3.864 20 0 GHADMP c1ncn(-c2ccccc2C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000685632440 835240595 /nfs/dbraw/zinc/24/05/95/835240595.db2.gz SNVOYZYHKNMVGH-NRFANRHFSA-N 2 1 375.520 3.659 20 0 GHADMP COC[C@]1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655626 835269328 /nfs/dbraw/zinc/26/93/28/835269328.db2.gz BVDKAVZWEQYBNP-OPHFCASCSA-N 2 1 394.559 3.601 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000583944705 835276431 /nfs/dbraw/zinc/27/64/31/835276431.db2.gz UOFSBYKHXFNLEV-SFHVURJKSA-N 2 1 383.580 3.938 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658141313 835452858 /nfs/dbraw/zinc/45/28/58/835452858.db2.gz WQDYATRYTGLEGP-ULOHNXOTSA-N 2 1 380.532 3.544 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142621 835453112 /nfs/dbraw/zinc/45/31/12/835453112.db2.gz ZDAJAVLQVXNWRZ-XXBNENTESA-N 2 1 380.532 3.774 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142201 835453958 /nfs/dbraw/zinc/45/39/58/835453958.db2.gz DMBWYDZFJFSNHP-DNVCBOLYSA-N 2 1 376.447 3.705 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164190 835480060 /nfs/dbraw/zinc/48/00/60/835480060.db2.gz CFAFBLXKZREYKU-SQJMNOBHSA-N 3 1 392.591 3.794 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164190 835480062 /nfs/dbraw/zinc/48/00/62/835480062.db2.gz CFAFBLXKZREYKU-SQJMNOBHSA-N 2 1 392.591 3.794 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000685702599 835501687 /nfs/dbraw/zinc/50/16/87/835501687.db2.gz SIEHHQNWPZDQML-NRFANRHFSA-N 2 1 395.551 3.628 20 0 GHADMP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC(F)(F)CC1 ZINC000658321605 835573893 /nfs/dbraw/zinc/57/38/93/835573893.db2.gz RAGTWEUHJZCCBH-XUVXKRRUSA-N 2 1 378.507 3.817 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000584113350 835662132 /nfs/dbraw/zinc/66/21/32/835662132.db2.gz NICYMFJYGLZLKA-QHCPKHFHSA-N 2 1 379.504 3.523 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000584113350 835662133 /nfs/dbraw/zinc/66/21/33/835662133.db2.gz NICYMFJYGLZLKA-QHCPKHFHSA-N 2 1 379.504 3.523 20 0 GHADMP COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1OCCO ZINC000151674511 835725604 /nfs/dbraw/zinc/72/56/04/835725604.db2.gz YTUNSCOVIWXNDC-DLBZAZTESA-N 2 1 395.503 3.972 20 0 GHADMP Cc1ncc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1-c1ccccc1 ZINC000092587305 844121301 /nfs/dbraw/zinc/12/13/01/844121301.db2.gz VSPGRONMAONOEE-KDURUIRLSA-N 2 1 382.552 3.502 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000448240803 836095301 /nfs/dbraw/zinc/09/53/01/836095301.db2.gz MQFAXZORQQQNBY-UPVQGACJSA-N 2 1 377.532 3.591 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180157088 836099427 /nfs/dbraw/zinc/09/94/27/836099427.db2.gz YRASGOSXZZIXIR-XALAGWIPSA-N 2 1 395.591 3.953 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000473274105 844130245 /nfs/dbraw/zinc/13/02/45/844130245.db2.gz SFNNNMLRPNODET-SJBKTWHCSA-N 2 1 397.607 3.914 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000109660820 836461271 /nfs/dbraw/zinc/46/12/71/836461271.db2.gz GCIOEWYPCYYALT-PKTZIBPZSA-N 2 1 383.580 3.622 20 0 GHADMP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175198088 836701912 /nfs/dbraw/zinc/70/19/12/836701912.db2.gz SIVUKJRREYHMJW-QHCPKHFHSA-N 2 1 393.531 3.512 20 0 GHADMP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175198088 836701913 /nfs/dbraw/zinc/70/19/13/836701913.db2.gz SIVUKJRREYHMJW-QHCPKHFHSA-N 2 1 393.531 3.512 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000275359123 836880717 /nfs/dbraw/zinc/88/07/17/836880717.db2.gz ASIXIKVGHWPXGR-ATZDWAIDSA-N 2 1 382.508 3.746 20 0 GHADMP c1ccc(SCC[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000510238638 836920433 /nfs/dbraw/zinc/92/04/33/836920433.db2.gz PZKZTGXQSOECRC-NRFANRHFSA-N 2 1 396.604 3.708 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000414304130 836990142 /nfs/dbraw/zinc/99/01/42/836990142.db2.gz QHOTXCBYNPQYKP-UHFFFAOYSA-N 2 1 382.483 3.550 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000511402587 837035993 /nfs/dbraw/zinc/03/59/93/837035993.db2.gz VKVXZCOIUWTHSH-XUVXKRRUSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000511402587 837036006 /nfs/dbraw/zinc/03/60/06/837036006.db2.gz VKVXZCOIUWTHSH-XUVXKRRUSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000511402587 837036016 /nfs/dbraw/zinc/03/60/16/837036016.db2.gz VKVXZCOIUWTHSH-XUVXKRRUSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828168 837169477 /nfs/dbraw/zinc/16/94/77/837169477.db2.gz OFWPVKXOBKIMER-CZTZKLFOSA-N 2 1 377.532 3.572 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3ccccc3NC2=O)CC1 ZINC000655792263 837911749 /nfs/dbraw/zinc/91/17/49/837911749.db2.gz YNAUAJVVYJHTLF-BBHUYCHWSA-N 2 1 377.532 3.973 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431851657 837967112 /nfs/dbraw/zinc/96/71/12/837967112.db2.gz QIILNAPUAGIKLO-FYYLOGMGSA-N 2 1 379.548 3.660 20 0 GHADMP CC1CCC(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000535677247 844282038 /nfs/dbraw/zinc/28/20/38/844282038.db2.gz WBZUWCCOSFUJAU-UHFFFAOYSA-N 2 1 383.580 3.669 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H]1c1cccs1 ZINC000659264029 838027834 /nfs/dbraw/zinc/02/78/34/838027834.db2.gz JFHYAONBFNKTDW-WOIUINJBSA-N 2 1 397.588 3.940 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3cccc4ccccc43)C2)CC1 ZINC000377912809 838152005 /nfs/dbraw/zinc/15/20/05/838152005.db2.gz OIOOAQOUDOIKLG-JOCHJYFZSA-N 2 1 381.564 3.709 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659285341 838210668 /nfs/dbraw/zinc/21/06/68/838210668.db2.gz MKMVVGNTFRHPJH-REWPJTCUSA-N 2 1 377.532 3.592 20 0 GHADMP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC2(CCC2)C1 ZINC000659290792 838213475 /nfs/dbraw/zinc/21/34/75/838213475.db2.gz AUBBZYYLTBKNRW-LJQANCHMSA-N 2 1 395.572 3.625 20 0 GHADMP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC2(CCC2)C1 ZINC000659290792 838213484 /nfs/dbraw/zinc/21/34/84/838213484.db2.gz AUBBZYYLTBKNRW-LJQANCHMSA-N 2 1 395.572 3.625 20 0 GHADMP C[C@H](c1ccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1)[NH+]1CCOCC1 ZINC000659291642 838216571 /nfs/dbraw/zinc/21/65/71/838216571.db2.gz IPHSLIAEHSGZPK-UTKZUKDTSA-N 2 1 393.531 3.711 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659288572 838221058 /nfs/dbraw/zinc/22/10/58/838221058.db2.gz JXKOWGLMOPPWJJ-OUOWLKGYSA-N 2 1 391.559 3.706 20 0 GHADMP COc1ccccc1C[NH+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001167315230 838231159 /nfs/dbraw/zinc/23/11/59/838231159.db2.gz VULKARVMPLSDAZ-UHFFFAOYSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000584518152 838241500 /nfs/dbraw/zinc/24/15/00/838241500.db2.gz SGPWQRRAAJQGKU-OXJNMPFZSA-N 2 1 396.510 3.504 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887359 838243716 /nfs/dbraw/zinc/24/37/16/838243716.db2.gz XDMMTJCMVANIAA-FQEVSTJZSA-N 2 1 392.547 3.708 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415908303 838253335 /nfs/dbraw/zinc/25/33/35/838253335.db2.gz CTXCHCGOLLEVFY-HXUWFJFHSA-N 2 1 380.536 3.782 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000415910391 838255138 /nfs/dbraw/zinc/25/51/38/838255138.db2.gz VTXLCETZGUJVAU-UHFFFAOYSA-N 2 1 380.536 3.755 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000415905937 838259298 /nfs/dbraw/zinc/25/92/98/838259298.db2.gz JFJQUESZQRNREX-GCJKJVERSA-N 2 1 380.536 3.971 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415907602 838261870 /nfs/dbraw/zinc/26/18/70/838261870.db2.gz BMVYDSNSWDSMNY-GMAHTHKFSA-N 2 1 392.547 3.924 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000415930343 838287163 /nfs/dbraw/zinc/28/71/63/838287163.db2.gz ISAPRNYNGKRVER-UHFFFAOYSA-N 2 1 396.535 3.545 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(OCC[NH3+])cc3)cc2)C1 ZINC000415940682 838293780 /nfs/dbraw/zinc/29/37/80/838293780.db2.gz UHBNJRIYOKCVJJ-SFHVURJKSA-N 2 1 396.535 3.578 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000683689740 838309029 /nfs/dbraw/zinc/30/90/29/838309029.db2.gz KWXQITUBWFGAPF-KOUNCHBCSA-N 2 1 383.580 3.809 20 0 GHADMP CC1(C)CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415956103 838317279 /nfs/dbraw/zinc/31/72/79/838317279.db2.gz NICANINEBDBWPZ-UHFFFAOYSA-N 2 1 396.510 3.600 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000122671737 838340282 /nfs/dbraw/zinc/34/02/82/838340282.db2.gz GHIINUUQDARVNE-DLBZAZTESA-N 2 1 383.517 3.694 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000656010039 838451408 /nfs/dbraw/zinc/45/14/08/838451408.db2.gz LQUGOUHPUIPBIB-OAQYLSRUSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416171643 838656449 /nfs/dbraw/zinc/65/64/49/838656449.db2.gz RHXUNODRAWDZGF-UEVCKROQSA-N 2 1 379.548 3.706 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000376991331 838902379 /nfs/dbraw/zinc/90/23/79/838902379.db2.gz JUAFWVAILNHGCL-ACBHZAAOSA-N 2 1 397.485 3.601 20 0 GHADMP Brc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000228314742 838970321 /nfs/dbraw/zinc/97/03/21/838970321.db2.gz JBDANMPNTATOGZ-GJZGRUSLSA-N 2 1 388.147 3.928 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OCc1cccnc1 ZINC000415054158 839131770 /nfs/dbraw/zinc/13/17/70/839131770.db2.gz PLVJPPINTAOWNH-NHCUHLMSSA-N 2 1 381.520 3.633 20 0 GHADMP c1ccc(CC(Cc2ccccc2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415061969 839148729 /nfs/dbraw/zinc/14/87/29/839148729.db2.gz ZNUJSUUJCHERBO-UHFFFAOYSA-N 2 1 377.576 3.646 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)c(Cl)c3)CC2)C1 ZINC000415126118 839233808 /nfs/dbraw/zinc/23/38/08/839233808.db2.gz PGADFYCHPCWPAK-WMLDXEAASA-N 2 1 387.749 3.821 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309753380 839285595 /nfs/dbraw/zinc/28/55/95/839285595.db2.gz WLWJNTIIBMHRRD-HKBOAZHASA-N 2 1 387.568 3.792 20 0 GHADMP C[C@@H]1C[C@H](c2cccnc2)[NH+](CCOCC[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)C1 ZINC000580425057 839546024 /nfs/dbraw/zinc/54/60/24/839546024.db2.gz DSQPYJVOVGOHQZ-WNXIRNOKSA-N 2 1 394.563 3.959 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)s1 ZINC000892944715 839567081 /nfs/dbraw/zinc/56/70/81/839567081.db2.gz UMALUAXRLDKSRC-UHFFFAOYSA-N 2 1 387.549 3.842 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000512550558 844502703 /nfs/dbraw/zinc/50/27/03/844502703.db2.gz JIJNYOXEBQUQFR-NWSQWKLXSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512550558 844502707 /nfs/dbraw/zinc/50/27/07/844502707.db2.gz JIJNYOXEBQUQFR-NWSQWKLXSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512550558 844502711 /nfs/dbraw/zinc/50/27/11/844502711.db2.gz JIJNYOXEBQUQFR-NWSQWKLXSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512550736 844504031 /nfs/dbraw/zinc/50/40/31/844504031.db2.gz LQQLTFAXLYYZIN-CTNGQTDRSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512550736 844504041 /nfs/dbraw/zinc/50/40/41/844504041.db2.gz LQQLTFAXLYYZIN-CTNGQTDRSA-N 2 1 382.552 3.814 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000535806012 844504497 /nfs/dbraw/zinc/50/44/97/844504497.db2.gz AJBWZBIAAVBLMM-QDSKXPNFSA-N 2 1 390.531 3.709 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000416966725 840315833 /nfs/dbraw/zinc/31/58/33/840315833.db2.gz FYWPKGYFNBWFFX-IFMALSPDSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)C1 ZINC000416974084 840331029 /nfs/dbraw/zinc/33/10/29/840331029.db2.gz WEHCHHUUDZYUMN-CVDCTZTESA-N 2 1 398.595 3.592 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C)cc(C[NH3+])c3)CC[N@H+]2C2CC2)c1 ZINC000580887750 840380888 /nfs/dbraw/zinc/38/08/88/840380888.db2.gz LYPVFFOWZBMWTO-FCHUYYIVSA-N 2 1 394.519 3.562 20 0 GHADMP CC1(C)OCc2cc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)ccc2O1 ZINC000186377094 840397209 /nfs/dbraw/zinc/39/72/09/840397209.db2.gz FBFAVZQQGYSUSS-OAQYLSRUSA-N 2 1 380.532 3.986 20 0 GHADMP Cc1ccccc1C1CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000127514031 840423413 /nfs/dbraw/zinc/42/34/13/840423413.db2.gz QQRWUPXYFCXUTE-DDRJZQQSSA-N 2 1 391.559 3.728 20 0 GHADMP CC1(C)CN([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccc(Cl)cc2)CCO1 ZINC000246182101 844547141 /nfs/dbraw/zinc/54/71/41/844547141.db2.gz DDEHFEZIJHVOAO-QHAWAJNXSA-N 2 1 391.987 3.708 20 0 GHADMP Cc1[nH+]cc(CNc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)n1C ZINC000580964197 840533577 /nfs/dbraw/zinc/53/35/77/840533577.db2.gz ZAICFJDDRRPNMJ-UHFFFAOYSA-N 2 1 389.547 3.705 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511611488 840580618 /nfs/dbraw/zinc/58/06/18/840580618.db2.gz RPXQRFHHHLXLHX-UHFFFAOYSA-N 2 1 383.561 3.521 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511611488 840580623 /nfs/dbraw/zinc/58/06/23/840580623.db2.gz RPXQRFHHHLXLHX-UHFFFAOYSA-N 2 1 383.561 3.521 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511611488 840580632 /nfs/dbraw/zinc/58/06/32/840580632.db2.gz RPXQRFHHHLXLHX-UHFFFAOYSA-N 2 1 383.561 3.521 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511611488 840580634 /nfs/dbraw/zinc/58/06/34/840580634.db2.gz RPXQRFHHHLXLHX-UHFFFAOYSA-N 2 1 383.561 3.521 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000660468732 840595810 /nfs/dbraw/zinc/59/58/10/840595810.db2.gz MXHPVGJAYOGUHV-SFHVURJKSA-N 2 1 399.514 3.526 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000660468732 840595819 /nfs/dbraw/zinc/59/58/19/840595819.db2.gz MXHPVGJAYOGUHV-SFHVURJKSA-N 2 1 399.514 3.526 20 0 GHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001167442906 840604864 /nfs/dbraw/zinc/60/48/64/840604864.db2.gz JLDKBRZNJSQTAL-FCHUYYIVSA-N 2 1 379.633 3.852 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417222530 840616608 /nfs/dbraw/zinc/61/66/08/840616608.db2.gz QEKZZUMEIPBJRB-BVYCBKJFSA-N 2 1 380.536 3.601 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314989 840714049 /nfs/dbraw/zinc/71/40/49/840714049.db2.gz RSAYJCDAAAUKMF-MBPVOVBZSA-N 2 1 397.588 3.727 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000581139988 840777255 /nfs/dbraw/zinc/77/72/55/840777255.db2.gz IXVMONNKIUKDQX-HSZRJFAPSA-N 2 1 383.580 3.759 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000124172216 840803775 /nfs/dbraw/zinc/80/37/75/840803775.db2.gz VEGJIVXDCRQIPI-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000124172216 840803782 /nfs/dbraw/zinc/80/37/82/840803782.db2.gz VEGJIVXDCRQIPI-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000584827903 841013535 /nfs/dbraw/zinc/01/35/35/841013535.db2.gz BRUDWTXZCROFPL-QFIPXVFZSA-N 2 1 392.547 3.884 20 0 GHADMP Cc1ccc(COc2ccc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000584838981 841036865 /nfs/dbraw/zinc/03/68/65/841036865.db2.gz BOJITLGJUKKDKI-JOCHJYFZSA-N 2 1 380.532 3.761 20 0 GHADMP [NH3+][C@H](c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1 ZINC000656468932 841054968 /nfs/dbraw/zinc/05/49/68/841054968.db2.gz VTINCOUQOFILFN-UTKZUKDTSA-N 2 1 381.911 3.502 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549528155 841356312 /nfs/dbraw/zinc/35/63/12/841356312.db2.gz ULHGZIVHXIUFJY-IBGZPJMESA-N 2 1 381.358 3.917 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500068799 841372970 /nfs/dbraw/zinc/37/29/70/841372970.db2.gz VBTMDQTWTFKZFQ-UPVQGACJSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500068799 841372983 /nfs/dbraw/zinc/37/29/83/841372983.db2.gz VBTMDQTWTFKZFQ-UPVQGACJSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500068799 841372991 /nfs/dbraw/zinc/37/29/91/841372991.db2.gz VBTMDQTWTFKZFQ-UPVQGACJSA-N 2 1 383.580 3.766 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000651692394 841376088 /nfs/dbraw/zinc/37/60/88/841376088.db2.gz FBCLJGXKKYLOEM-UHFFFAOYSA-N 2 1 375.520 3.933 20 0 GHADMP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012105 841390038 /nfs/dbraw/zinc/39/00/38/841390038.db2.gz RQUMUOHSCJQZSP-WWPVKYPJSA-N 2 1 394.563 3.676 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@@H](C)C1 ZINC000651710245 841409891 /nfs/dbraw/zinc/40/98/91/841409891.db2.gz VOFHRDDUSPTZKB-WMZHIEFXSA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@@H](C)C1 ZINC000651710245 841409897 /nfs/dbraw/zinc/40/98/97/841409897.db2.gz VOFHRDDUSPTZKB-WMZHIEFXSA-N 2 1 384.568 3.716 20 0 GHADMP C[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000581487249 841533960 /nfs/dbraw/zinc/53/39/60/841533960.db2.gz BPIQWRKEZZRVQV-SQXWHWBNSA-N 2 1 379.548 3.739 20 0 GHADMP Cc1cc(CNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc(N2CCCC2)[nH+]1 ZINC000418203902 841644262 /nfs/dbraw/zinc/64/42/62/841644262.db2.gz WOHSVNNTMNFOSK-OAQYLSRUSA-N 2 1 395.551 3.613 20 0 GHADMP O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000581666354 841965727 /nfs/dbraw/zinc/96/57/27/841965727.db2.gz WWYHXBYAROODGU-LJQANCHMSA-N 2 1 386.584 3.922 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001167827599 842090027 /nfs/dbraw/zinc/09/00/27/842090027.db2.gz UGTNKGCXNOIZOG-ACIOBRDBSA-N 2 1 396.616 3.564 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001167833470 842197789 /nfs/dbraw/zinc/19/77/89/842197789.db2.gz BMKXVNFKRNPIDS-GMAHTHKFSA-N 2 1 375.601 3.720 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000625243550 861288809 /nfs/dbraw/zinc/28/88/09/861288809.db2.gz HDAGFSAZTJMGTQ-BVYCBKJFSA-N 2 1 379.548 3.577 20 0 GHADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044696 842300058 /nfs/dbraw/zinc/30/00/58/842300058.db2.gz HANNKSMHTATDKQ-MQSCRBSSSA-N 2 1 387.612 3.718 20 0 GHADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044696 842300074 /nfs/dbraw/zinc/30/00/74/842300074.db2.gz HANNKSMHTATDKQ-MQSCRBSSSA-N 2 1 387.612 3.718 20 0 GHADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044696 842300088 /nfs/dbraw/zinc/30/00/88/842300088.db2.gz HANNKSMHTATDKQ-MQSCRBSSSA-N 2 1 387.612 3.718 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000177998501 861294113 /nfs/dbraw/zinc/29/41/13/861294113.db2.gz QWNQLYUEXPCHKR-SFHVURJKSA-N 2 1 376.504 3.880 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000652348749 842327306 /nfs/dbraw/zinc/32/73/06/842327306.db2.gz PNSUQZRZSZIOFX-NXHRZFHOSA-N 2 1 375.900 3.713 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000623655287 861298491 /nfs/dbraw/zinc/29/84/91/861298491.db2.gz UFJVDGAVTGQJKU-LJQANCHMSA-N 2 1 375.520 3.756 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000512056944 842354947 /nfs/dbraw/zinc/35/49/47/842354947.db2.gz INEDKTDLJLEGPE-CQSZACIVSA-N 2 1 377.414 3.822 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000544369850 861302990 /nfs/dbraw/zinc/30/29/90/861302990.db2.gz DQTCONMZHMEVOM-UHFFFAOYSA-N 2 1 388.471 3.636 20 0 GHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000327241554 842419430 /nfs/dbraw/zinc/41/94/30/842419430.db2.gz QKJOHOUGTDPYPR-GLJUWKHASA-N 2 1 384.351 3.635 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CCCO1 ZINC000432417308 842429863 /nfs/dbraw/zinc/42/98/63/842429863.db2.gz LNQFJJSBTJQECX-LSJNQWAISA-N 2 1 381.358 3.786 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CCCO1 ZINC000432417308 842429868 /nfs/dbraw/zinc/42/98/68/842429868.db2.gz LNQFJJSBTJQECX-LSJNQWAISA-N 2 1 381.358 3.786 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000432419333 842439024 /nfs/dbraw/zinc/43/90/24/842439024.db2.gz BDKSFLUVBWOJSD-IAGOWNOFSA-N 2 1 390.959 3.986 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000432419333 842439026 /nfs/dbraw/zinc/43/90/26/842439026.db2.gz BDKSFLUVBWOJSD-IAGOWNOFSA-N 2 1 390.959 3.986 20 0 GHADMP Cc1ccccc1CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430676360 842454465 /nfs/dbraw/zinc/45/44/65/842454465.db2.gz HRKLGTNXZFSFPR-UHFFFAOYSA-N 2 1 385.596 3.582 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162147 842647990 /nfs/dbraw/zinc/64/79/90/842647990.db2.gz LTRRWVXPDCIJEY-SFTDATJTSA-N 2 1 397.950 3.523 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162147 842647996 /nfs/dbraw/zinc/64/79/96/842647996.db2.gz LTRRWVXPDCIJEY-SFTDATJTSA-N 2 1 397.950 3.523 20 0 GHADMP Clc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)nn2)c(Cl)c1 ZINC000581943548 842782974 /nfs/dbraw/zinc/78/29/74/842782974.db2.gz LUYBBBBUHNDJDF-KRWDZBQOSA-N 2 1 380.323 3.538 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000247432054 842788371 /nfs/dbraw/zinc/78/83/71/842788371.db2.gz WMOKCJYDOMIPTR-HMXCVIKNSA-N 2 1 398.551 3.577 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000247432054 842788380 /nfs/dbraw/zinc/78/83/80/842788380.db2.gz WMOKCJYDOMIPTR-HMXCVIKNSA-N 2 1 398.551 3.577 20 0 GHADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1)[C@@H]1CCCO1 ZINC000153354154 843030274 /nfs/dbraw/zinc/03/02/74/843030274.db2.gz YNXKSFQHTGKZJG-QFIPXVFZSA-N 2 1 385.552 3.691 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510608621 843039068 /nfs/dbraw/zinc/03/90/68/843039068.db2.gz MWVGMEMTFZHMCH-QFIPXVFZSA-N 2 1 382.552 3.575 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510608621 843039078 /nfs/dbraw/zinc/03/90/78/843039078.db2.gz MWVGMEMTFZHMCH-QFIPXVFZSA-N 2 1 382.552 3.575 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Br)c1OC ZINC000662312896 843121867 /nfs/dbraw/zinc/12/18/67/843121867.db2.gz HJJAKLODTWUBTC-UKRRQHHQSA-N 2 1 385.346 3.806 20 0 GHADMP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)n2)c1 ZINC000279553182 843132724 /nfs/dbraw/zinc/13/27/24/843132724.db2.gz RAADXFXFBIWTNZ-IAGOWNOFSA-N 2 1 394.523 3.527 20 0 GHADMP Clc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336139 843147387 /nfs/dbraw/zinc/14/73/87/843147387.db2.gz VTZMPSOHXUTRKK-CQSZACIVSA-N 2 1 394.350 3.506 20 0 GHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337606 843149294 /nfs/dbraw/zinc/14/92/94/843149294.db2.gz LXAYZVFTECSTHM-GDBMZVCRSA-N 2 1 391.922 3.552 20 0 GHADMP Cc1cc(C)cc(OCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662328138 843156234 /nfs/dbraw/zinc/15/62/34/843156234.db2.gz OSEPDQKJECRXSV-UHFFFAOYSA-N 2 1 382.552 3.752 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662382089 843179915 /nfs/dbraw/zinc/17/99/15/843179915.db2.gz MAEQIHAIEYOKMP-JOCHJYFZSA-N 2 1 391.559 3.722 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662387220 843183355 /nfs/dbraw/zinc/18/33/55/843183355.db2.gz DEXPGIQDLZJDIL-MRXNPFEDSA-N 2 1 383.561 3.698 20 0 GHADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000510684980 843192775 /nfs/dbraw/zinc/19/27/75/843192775.db2.gz RBQDSLZCVOUDQM-BOCKYXSRSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000510684980 843192779 /nfs/dbraw/zinc/19/27/79/843192779.db2.gz RBQDSLZCVOUDQM-BOCKYXSRSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000182305105 843242586 /nfs/dbraw/zinc/24/25/86/843242586.db2.gz IECGYPKFWMVYKO-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000182305105 843242590 /nfs/dbraw/zinc/24/25/90/843242590.db2.gz IECGYPKFWMVYKO-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000182305105 843242607 /nfs/dbraw/zinc/24/26/07/843242607.db2.gz IECGYPKFWMVYKO-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000673681846 861400082 /nfs/dbraw/zinc/40/00/82/861400082.db2.gz OMKQMKQCACUBGP-HSZRJFAPSA-N 2 1 386.499 3.594 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284745 843319419 /nfs/dbraw/zinc/31/94/19/843319419.db2.gz CTKBIZLIXOCECR-XMMPIXPASA-N 2 1 388.515 3.877 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284745 843319426 /nfs/dbraw/zinc/31/94/26/843319426.db2.gz CTKBIZLIXOCECR-XMMPIXPASA-N 2 1 388.515 3.877 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284745 843319431 /nfs/dbraw/zinc/31/94/31/843319431.db2.gz CTKBIZLIXOCECR-XMMPIXPASA-N 2 1 388.515 3.877 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000662484486 843323168 /nfs/dbraw/zinc/32/31/68/843323168.db2.gz LFNQLUDMYDCAMY-VGOFRKELSA-N 2 1 379.504 3.580 20 0 GHADMP O[C@H](C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)C[NH+]1CCCC1 ZINC000065274764 843333061 /nfs/dbraw/zinc/33/30/61/843333061.db2.gz RFKPOTXCWQZNDX-MRXNPFEDSA-N 2 1 384.467 3.980 20 0 GHADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432654857 843365207 /nfs/dbraw/zinc/36/52/07/843365207.db2.gz JGIMSRICLPMKAF-HKUYNNGSSA-N 2 1 377.598 3.585 20 0 GHADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432654857 843365219 /nfs/dbraw/zinc/36/52/19/843365219.db2.gz JGIMSRICLPMKAF-HKUYNNGSSA-N 2 1 377.598 3.585 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000662514784 843370117 /nfs/dbraw/zinc/37/01/17/843370117.db2.gz RCJKOCLJKCLDLF-FUDKSRODSA-N 2 1 399.485 3.839 20 0 GHADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662513126 843375564 /nfs/dbraw/zinc/37/55/64/843375564.db2.gz YZGGWWYPXTWNEW-UVFQYZLESA-N 2 1 383.939 3.599 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1cccc(Cl)c1Cl ZINC000662519733 843385396 /nfs/dbraw/zinc/38/53/96/843385396.db2.gz YHIBYIQBIIVWJZ-HNNXBMFYSA-N 2 1 399.347 3.816 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432674651 843415739 /nfs/dbraw/zinc/41/57/39/843415739.db2.gz CRDUMUOUNYVWIW-NRFANRHFSA-N 2 1 397.588 3.741 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432674651 843415744 /nfs/dbraw/zinc/41/57/44/843415744.db2.gz CRDUMUOUNYVWIW-NRFANRHFSA-N 2 1 397.588 3.741 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000431017573 843435295 /nfs/dbraw/zinc/43/52/95/843435295.db2.gz RFTYTONZGFAPAD-KGVIQGDOSA-N 2 1 381.520 3.682 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000512346382 843486873 /nfs/dbraw/zinc/48/68/73/843486873.db2.gz JBJHWSMNTWHWKQ-SFHVURJKSA-N 2 1 396.535 3.649 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431044422 843500007 /nfs/dbraw/zinc/50/00/07/843500007.db2.gz WKCJYXQDERWNAQ-BAGYTPMASA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000431044422 843500012 /nfs/dbraw/zinc/50/00/12/843500012.db2.gz WKCJYXQDERWNAQ-BAGYTPMASA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000431044422 843500018 /nfs/dbraw/zinc/50/00/18/843500018.db2.gz WKCJYXQDERWNAQ-BAGYTPMASA-N 2 1 383.580 3.810 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000636840472 843516725 /nfs/dbraw/zinc/51/67/25/843516725.db2.gz NVXVXLUILVTMRZ-MJGOQNOKSA-N 2 1 392.613 3.647 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCCCC1 ZINC000662691346 843526812 /nfs/dbraw/zinc/52/68/12/843526812.db2.gz GYJNQYCUEMTYMS-HXUWFJFHSA-N 2 1 397.485 3.609 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)OC)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610682299 843530846 /nfs/dbraw/zinc/53/08/46/843530846.db2.gz XZUHKIUNALGLIY-HXUWFJFHSA-N 2 1 384.495 3.956 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610682299 843530852 /nfs/dbraw/zinc/53/08/52/843530852.db2.gz XZUHKIUNALGLIY-HXUWFJFHSA-N 2 1 384.495 3.956 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)OC)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610682299 843530863 /nfs/dbraw/zinc/53/08/63/843530863.db2.gz XZUHKIUNALGLIY-HXUWFJFHSA-N 2 1 384.495 3.956 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)OC)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610682299 843530874 /nfs/dbraw/zinc/53/08/74/843530874.db2.gz XZUHKIUNALGLIY-HXUWFJFHSA-N 2 1 384.495 3.956 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182378705 843544086 /nfs/dbraw/zinc/54/40/86/843544086.db2.gz YIBYYZGRJCCDJA-TZIWHRDSSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512403508 843705007 /nfs/dbraw/zinc/70/50/07/843705007.db2.gz DPIMDHMVEOOGFL-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512425029 843758428 /nfs/dbraw/zinc/75/84/28/843758428.db2.gz WRZAYGRIECXINE-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000500662779 843786597 /nfs/dbraw/zinc/78/65/97/843786597.db2.gz ISFGLOZTUXEUOU-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000500662779 843786603 /nfs/dbraw/zinc/78/66/03/843786603.db2.gz ISFGLOZTUXEUOU-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000500662779 843786606 /nfs/dbraw/zinc/78/66/06/843786606.db2.gz ISFGLOZTUXEUOU-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP Fc1cc(F)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549881929 843807163 /nfs/dbraw/zinc/80/71/63/843807163.db2.gz CNXZMPOVOLZHNF-HXUWFJFHSA-N 2 1 386.486 3.983 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCSC4CCCCC4)CC3)C2)cc1 ZINC000512444023 843819459 /nfs/dbraw/zinc/81/94/59/843819459.db2.gz JVDYPSUFDNZITK-JOCHJYFZSA-N 2 1 387.637 3.944 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179056485 861462868 /nfs/dbraw/zinc/46/28/68/861462868.db2.gz CMFYTERHGOMHME-HSZRJFAPSA-N 2 1 393.575 3.783 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCOC4(CCOCC4)C3)cc2)CC1 ZINC000894131456 843867125 /nfs/dbraw/zinc/86/71/25/843867125.db2.gz RCJVUHHFHJGTTM-OAQYLSRUSA-N 2 1 387.568 3.605 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433303774 843991935 /nfs/dbraw/zinc/99/19/35/843991935.db2.gz MCJTXKIEDILFJK-INIZCTEOSA-N 2 1 397.498 3.802 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512489884 843999486 /nfs/dbraw/zinc/99/94/86/843999486.db2.gz UCPDUPLSRNHMSO-OLMMMNRUSA-N 2 1 397.485 3.657 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000512489884 843999489 /nfs/dbraw/zinc/99/94/89/843999489.db2.gz UCPDUPLSRNHMSO-OLMMMNRUSA-N 2 1 397.485 3.657 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000512489884 843999494 /nfs/dbraw/zinc/99/94/94/843999494.db2.gz UCPDUPLSRNHMSO-OLMMMNRUSA-N 2 1 397.485 3.657 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000512580146 844645298 /nfs/dbraw/zinc/64/52/98/844645298.db2.gz ZOPNNZCVSMODJR-UHFFFAOYSA-N 2 1 385.471 3.840 20 0 GHADMP COc1cc(Br)ccc1CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512579860 844647147 /nfs/dbraw/zinc/64/71/47/844647147.db2.gz XOKJMYWXMKMAOD-JWTNVVGKSA-N 2 1 381.358 3.947 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512579860 844647151 /nfs/dbraw/zinc/64/71/51/844647151.db2.gz XOKJMYWXMKMAOD-JWTNVVGKSA-N 2 1 381.358 3.947 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512579860 844647155 /nfs/dbraw/zinc/64/71/55/844647155.db2.gz XOKJMYWXMKMAOD-JWTNVVGKSA-N 2 1 381.358 3.947 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458839452 845069361 /nfs/dbraw/zinc/06/93/61/845069361.db2.gz CZZPAQSLROJCBY-NRFANRHFSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512704108 845100550 /nfs/dbraw/zinc/10/05/50/845100550.db2.gz WVZWDJRZMXITKN-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000047883905 845444415 /nfs/dbraw/zinc/44/44/15/845444415.db2.gz XOFRVFVRFMMMFM-IBGZPJMESA-N 2 1 386.584 3.591 20 0 GHADMP COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000513487828 845519619 /nfs/dbraw/zinc/51/96/19/845519619.db2.gz KPCKMSVXLZAAED-ICSRJNTNSA-N 2 1 396.531 3.857 20 0 GHADMP CCCCCN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000513489384 845520858 /nfs/dbraw/zinc/52/08/58/845520858.db2.gz HYQUCJHXAZEVJT-QFIPXVFZSA-N 2 1 390.591 3.664 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513506107 845544289 /nfs/dbraw/zinc/54/42/89/845544289.db2.gz OCOVPOZXFIBGNF-UGKGYDQZSA-N 2 1 375.520 3.658 20 0 GHADMP CCn1nc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c2ccccc21 ZINC000472055990 845614481 /nfs/dbraw/zinc/61/44/81/845614481.db2.gz RGVJTNZJYAMOFJ-XMMPIXPASA-N 2 1 391.563 3.525 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000179510199 861610019 /nfs/dbraw/zinc/61/00/19/861610019.db2.gz AWTQIMVABAJICT-INIZCTEOSA-N 2 1 382.533 3.996 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657312073 846017939 /nfs/dbraw/zinc/01/79/39/846017939.db2.gz ATGPRWOZFUPYCH-UHFFFAOYSA-N 2 1 376.548 3.904 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000669708401 861633810 /nfs/dbraw/zinc/63/38/10/861633810.db2.gz PPHWZYSWQBMNHS-FLXZHSAZSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000669708401 861633812 /nfs/dbraw/zinc/63/38/12/861633812.db2.gz PPHWZYSWQBMNHS-FLXZHSAZSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000669708401 861633813 /nfs/dbraw/zinc/63/38/13/861633813.db2.gz PPHWZYSWQBMNHS-FLXZHSAZSA-N 2 1 381.486 3.821 20 0 GHADMP CC[NH+](CC)CCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536511792 846059270 /nfs/dbraw/zinc/05/92/70/846059270.db2.gz VONUVIFRPXWEIR-VQIMIIECSA-N 2 1 398.954 3.503 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000513623954 846164022 /nfs/dbraw/zinc/16/40/22/846164022.db2.gz HOKOQDOHAHERKZ-NRFANRHFSA-N 2 1 381.568 3.535 20 0 GHADMP C[NH+](C[C@@H]1CCCN1c1cccnn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513623954 846164026 /nfs/dbraw/zinc/16/40/26/846164026.db2.gz HOKOQDOHAHERKZ-NRFANRHFSA-N 2 1 381.568 3.535 20 0 GHADMP C[NH+](C[C@@H]1CCCN1c1cccnn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513623954 846164033 /nfs/dbraw/zinc/16/40/33/846164033.db2.gz HOKOQDOHAHERKZ-NRFANRHFSA-N 2 1 381.568 3.535 20 0 GHADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1Oc1cccnc1 ZINC000513642970 846205228 /nfs/dbraw/zinc/20/52/28/846205228.db2.gz QHDLWHKTZWLNBN-JOCHJYFZSA-N 2 1 394.563 3.784 20 0 GHADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1Oc1cccnc1 ZINC000513642970 846205239 /nfs/dbraw/zinc/20/52/39/846205239.db2.gz QHDLWHKTZWLNBN-JOCHJYFZSA-N 2 1 394.563 3.784 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000513683037 846238942 /nfs/dbraw/zinc/23/89/42/846238942.db2.gz FNNIDVZDWKVLTI-LDTOTXGLSA-N 2 1 392.385 3.738 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H]2CCC[C@H]21 ZINC000513683035 846239283 /nfs/dbraw/zinc/23/92/83/846239283.db2.gz FNNIDVZDWKVLTI-JOCLIGHLSA-N 2 1 392.385 3.738 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000502821975 846515492 /nfs/dbraw/zinc/51/54/92/846515492.db2.gz AOYIJGVEWPJNMK-IFMALSPDSA-N 2 1 386.584 3.635 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCSC3CCCCC3)CC2)C[C@H](C)O1 ZINC000500989661 846526247 /nfs/dbraw/zinc/52/62/47/846526247.db2.gz HGQZGNRKVLIBQM-KDURUIRLSA-N 2 1 384.630 3.643 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCSC3CCCCC3)CC2)C[C@H](C)O1 ZINC000500989661 846526257 /nfs/dbraw/zinc/52/62/57/846526257.db2.gz HGQZGNRKVLIBQM-KDURUIRLSA-N 2 1 384.630 3.643 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3cc(Br)ccc3C[C@@H]2C)CC1 ZINC000501015872 846551472 /nfs/dbraw/zinc/55/14/72/846551472.db2.gz RTZLXLFWHSYTIO-KRWDZBQOSA-N 2 1 394.401 3.612 20 0 GHADMP CC(C)c1ccccc1OC[C@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501022162 846557769 /nfs/dbraw/zinc/55/77/69/846557769.db2.gz ICXIQTSWKMUJGQ-JOCHJYFZSA-N 2 1 397.563 3.793 20 0 GHADMP CCN(C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000501044549 846569923 /nfs/dbraw/zinc/56/99/23/846569923.db2.gz JNJNFGQNSLWPOE-IBGZPJMESA-N 2 1 386.584 3.800 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C(C)C)c(F)c1 ZINC000421842308 846632680 /nfs/dbraw/zinc/63/26/80/846632680.db2.gz NNTFZJGFFHFAKI-WMZHIEFXSA-N 2 1 386.511 3.888 20 0 GHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501100036 846640385 /nfs/dbraw/zinc/64/03/85/846640385.db2.gz HGSKJIKJNIEKCZ-ISKFKSNPSA-N 2 1 386.628 3.560 20 0 GHADMP CCN(CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501100036 846640391 /nfs/dbraw/zinc/64/03/91/846640391.db2.gz HGSKJIKJNIEKCZ-ISKFKSNPSA-N 2 1 386.628 3.560 20 0 GHADMP CCN(CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501100036 846640396 /nfs/dbraw/zinc/64/03/96/846640396.db2.gz HGSKJIKJNIEKCZ-ISKFKSNPSA-N 2 1 386.628 3.560 20 0 GHADMP Cc1cc(OCC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1C(C)C ZINC000501101212 846643946 /nfs/dbraw/zinc/64/39/46/846643946.db2.gz IMABHDMCIKXOMK-SZPZYZBQSA-N 2 1 387.612 3.988 20 0 GHADMP Cc1cc(OCC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1C(C)C ZINC000501101212 846643948 /nfs/dbraw/zinc/64/39/48/846643948.db2.gz IMABHDMCIKXOMK-SZPZYZBQSA-N 2 1 387.612 3.988 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCCc4ccccc43)CC2)CC1 ZINC000582249845 846712574 /nfs/dbraw/zinc/71/25/74/846712574.db2.gz BACDMMIWODBKRA-UHFFFAOYSA-N 2 1 383.580 3.942 20 0 GHADMP CC[C@H](C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000503023815 846718978 /nfs/dbraw/zinc/71/89/78/846718978.db2.gz MCFORKWPCNTFJN-OAQYLSRUSA-N 2 1 395.547 3.631 20 0 GHADMP COc1ccc([C@H]([NH2+]C[C@@H]2CC[NH2+]C2)c2ccccc2)cc1Br ZINC000647892314 846784145 /nfs/dbraw/zinc/78/41/45/846784145.db2.gz UJWCEBBQBKYPEF-AUUYWEPGSA-N 2 1 375.310 3.746 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000582299770 846818883 /nfs/dbraw/zinc/81/88/83/846818883.db2.gz GJJLFDQWVYDHFU-GOSISDBHSA-N 2 1 380.536 3.519 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(F)c3OC(F)F)CC2)nc(C)[nH+]1 ZINC000657390130 846826098 /nfs/dbraw/zinc/82/60/98/846826098.db2.gz UEBUXXOMQWJUGJ-UHFFFAOYSA-N 2 1 380.414 3.593 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c(F)ccc(Br)c2F)c1 ZINC000501427838 846921578 /nfs/dbraw/zinc/92/15/78/846921578.db2.gz UADKZLHVVVBXRC-UHFFFAOYSA-N 2 1 399.279 3.958 20 0 GHADMP CC(C)[NH2+]CCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000582358626 846944349 /nfs/dbraw/zinc/94/43/49/846944349.db2.gz GYZLTCSMEARZDR-UHFFFAOYSA-N 2 1 385.474 3.516 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000420249743 847064060 /nfs/dbraw/zinc/06/40/60/847064060.db2.gz YQTAMPNNPZJBHH-INIZCTEOSA-N 2 1 395.576 3.985 20 0 GHADMP C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272534934 847104155 /nfs/dbraw/zinc/10/41/55/847104155.db2.gz PGIGSROAFIWUSR-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000501737071 847144226 /nfs/dbraw/zinc/14/42/26/847144226.db2.gz LBXCTMRZJWZBRW-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CCN(c4nccs4)CC3)C2)c1 ZINC000272731494 847158499 /nfs/dbraw/zinc/15/84/99/847158499.db2.gz PJNNAXLQYZCJFL-MRXNPFEDSA-N 2 1 376.595 3.675 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN(c4nccs4)CC3)C2)c1 ZINC000272731494 847158507 /nfs/dbraw/zinc/15/85/07/847158507.db2.gz PJNNAXLQYZCJFL-MRXNPFEDSA-N 2 1 376.595 3.675 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000420399870 847160161 /nfs/dbraw/zinc/16/01/61/847160161.db2.gz IIKMQIQXWURZTJ-SIIHOXLZSA-N 2 1 384.351 3.574 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000420399870 847160167 /nfs/dbraw/zinc/16/01/67/847160167.db2.gz IIKMQIQXWURZTJ-SIIHOXLZSA-N 2 1 384.351 3.574 20 0 GHADMP CCn1c(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)nc2c1cccc2F ZINC000501813336 847201726 /nfs/dbraw/zinc/20/17/26/847201726.db2.gz OGDQMWTZYFPTLR-UHFFFAOYSA-N 2 1 390.547 3.766 20 0 GHADMP CCn1c(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)nc2c1cccc2F ZINC000501813336 847201736 /nfs/dbraw/zinc/20/17/36/847201736.db2.gz OGDQMWTZYFPTLR-UHFFFAOYSA-N 2 1 390.547 3.766 20 0 GHADMP CC[NH2+]CC1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000237062442 847228802 /nfs/dbraw/zinc/22/88/02/847228802.db2.gz JWYWPROAEBYQCP-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657431002 847254113 /nfs/dbraw/zinc/25/41/13/847254113.db2.gz XJCBATIHGQQJET-IBGZPJMESA-N 2 1 394.437 3.674 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000509961164 847302199 /nfs/dbraw/zinc/30/21/99/847302199.db2.gz ZCWIBPHWIOENMB-HDICACEKSA-N 2 1 393.531 3.899 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000420959053 847580052 /nfs/dbraw/zinc/58/00/52/847580052.db2.gz FEBQKQUGMYSKSR-GOSISDBHSA-N 2 1 394.494 3.694 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000582561016 847606585 /nfs/dbraw/zinc/60/65/85/847606585.db2.gz HRMPPRWUIADGCK-HXUWFJFHSA-N 2 1 385.939 3.684 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000582561015 847606711 /nfs/dbraw/zinc/60/67/11/847606711.db2.gz HRMPPRWUIADGCK-FQEVSTJZSA-N 2 1 385.939 3.684 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1Cl ZINC000611623611 847620948 /nfs/dbraw/zinc/62/09/48/847620948.db2.gz DRVYVHXCTRTLKR-IBGZPJMESA-N 2 1 380.964 3.554 20 0 GHADMP OCC[C@@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421019659 847642411 /nfs/dbraw/zinc/64/24/11/847642411.db2.gz PYBBRLWZAJKWHA-FGZHOGPDSA-N 2 1 388.596 3.656 20 0 GHADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000422690829 847782655 /nfs/dbraw/zinc/78/26/55/847782655.db2.gz GYCFQSDTNFKQLZ-HSALFYBXSA-N 2 1 397.519 3.519 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422736221 847790016 /nfs/dbraw/zinc/79/00/16/847790016.db2.gz FZBNULDDPWIAAN-BTDSVWAKSA-N 2 1 377.532 3.667 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422736221 847790025 /nfs/dbraw/zinc/79/00/25/847790025.db2.gz FZBNULDDPWIAAN-BTDSVWAKSA-N 2 1 377.532 3.667 20 0 GHADMP COc1ccc([C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422721813 847795752 /nfs/dbraw/zinc/79/57/52/847795752.db2.gz WAVICWBEPUQQQO-GPUOULLFSA-N 2 1 393.575 3.643 20 0 GHADMP COc1ccc([C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422721815 847796087 /nfs/dbraw/zinc/79/60/87/847796087.db2.gz WAVICWBEPUQQQO-SDUSCBPUSA-N 2 1 393.575 3.643 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)C[C@H](C)O1 ZINC000582621871 847826402 /nfs/dbraw/zinc/82/64/02/847826402.db2.gz VTVFNXXPOINTDZ-IYBDPMFKSA-N 2 1 385.474 3.812 20 0 GHADMP N[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000422821062 847840075 /nfs/dbraw/zinc/84/00/75/847840075.db2.gz UGZOWKGQIOPZEH-RPWUZVMVSA-N 2 1 379.548 3.792 20 0 GHADMP [NH3+][C@@H]1C[C@H](NCCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000422821062 847840081 /nfs/dbraw/zinc/84/00/81/847840081.db2.gz UGZOWKGQIOPZEH-RPWUZVMVSA-N 2 1 379.548 3.792 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cs1 ZINC000422907415 847881800 /nfs/dbraw/zinc/88/18/00/847881800.db2.gz BOIJJORBZDDZOH-PWRODBHTSA-N 3 1 390.641 3.818 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCc3cccnc32)c1)C1CCOCC1 ZINC000684955402 847884844 /nfs/dbraw/zinc/88/48/44/847884844.db2.gz KACSUYOVJZAYDI-QHCPKHFHSA-N 2 1 395.547 3.738 20 0 GHADMP COc1ccc([C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422962524 847904754 /nfs/dbraw/zinc/90/47/54/847904754.db2.gz FYYBVPOMQRQVIU-XPNTWCBSSA-N 2 1 383.536 3.898 20 0 GHADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422956994 847915731 /nfs/dbraw/zinc/91/57/31/847915731.db2.gz RVXRAYYJDJDDCE-AEFFLSMTSA-N 2 1 388.309 3.821 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000611687764 847959631 /nfs/dbraw/zinc/95/96/31/847959631.db2.gz ZRHQWFBVRJMBKX-XLIONFOSSA-N 2 1 392.975 3.651 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3OC(F)F)cc2)C1 ZINC000657593571 848283504 /nfs/dbraw/zinc/28/35/04/848283504.db2.gz APULQQGGYWVYJG-INIZCTEOSA-N 2 1 396.865 3.798 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3OC(F)F)cc2)C1 ZINC000657593571 848283515 /nfs/dbraw/zinc/28/35/15/848283515.db2.gz APULQQGGYWVYJG-INIZCTEOSA-N 2 1 396.865 3.798 20 0 GHADMP COc1cc2cccnc2c(N(c2c[nH+]c3c(c2)CCCN3)[C@H](C)CCC[NH3+])c1 ZINC001167614064 848347622 /nfs/dbraw/zinc/34/76/22/848347622.db2.gz MBRYMUCIOXXQIW-MRXNPFEDSA-N 2 1 391.519 3.741 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000582783722 848368882 /nfs/dbraw/zinc/36/88/82/848368882.db2.gz RTNAAUYUTWFFBF-IRLDBZIGSA-N 2 1 379.548 3.693 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000481636759 861900486 /nfs/dbraw/zinc/90/04/86/861900486.db2.gz MBNYKOKUHBEWJA-LJQANCHMSA-N 2 1 386.540 3.929 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC3CC2(C(=O)N2CCCC2)C3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168045497 861907641 /nfs/dbraw/zinc/90/76/41/861907641.db2.gz KBUNQKQIQQBSMI-HQVOHAICSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC3CC2(C(=O)N2CCCC2)C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168045497 861907654 /nfs/dbraw/zinc/90/76/54/861907654.db2.gz KBUNQKQIQQBSMI-HQVOHAICSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045497 861907668 /nfs/dbraw/zinc/90/76/68/861907668.db2.gz KBUNQKQIQQBSMI-HQVOHAICSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC3CC2(C(=O)N2CCCC2)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045497 861907679 /nfs/dbraw/zinc/90/76/79/861907679.db2.gz KBUNQKQIQQBSMI-HQVOHAICSA-N 2 1 381.564 3.515 20 0 GHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678873 848587895 /nfs/dbraw/zinc/58/78/95/848587895.db2.gz VZZRRXCZPZYAFQ-FDYSRKEFSA-N 2 1 395.547 3.590 20 0 GHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678873 848587901 /nfs/dbraw/zinc/58/79/01/848587901.db2.gz VZZRRXCZPZYAFQ-FDYSRKEFSA-N 2 1 395.547 3.590 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604179995 861937427 /nfs/dbraw/zinc/93/74/27/861937427.db2.gz YPAKVPGHNWVBAH-URVUXULASA-N 2 1 386.584 3.633 20 0 GHADMP C[N@H+]1CCCC[C@@H]1c1ccc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)nc1 ZINC001167642149 848764593 /nfs/dbraw/zinc/76/45/93/848764593.db2.gz DBUZZYVDCKOBTR-WUZYXKQASA-N 2 1 388.556 3.632 20 0 GHADMP C[C@@H](O)C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000121539477 848780122 /nfs/dbraw/zinc/78/01/22/848780122.db2.gz UPLUNNVIQXVPFY-DENIHFKCSA-N 2 1 384.539 3.977 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1 ZINC000582999003 848847486 /nfs/dbraw/zinc/84/74/86/848847486.db2.gz AGFQOZMBSYDQQR-UHFFFAOYSA-N 2 1 395.894 3.734 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000673881318 862030438 /nfs/dbraw/zinc/03/04/38/862030438.db2.gz LUAXHCSUIMWXQI-HSZRJFAPSA-N 2 1 398.595 3.699 20 0 GHADMP COc1cccc(C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]2CCCO2)c1 ZINC000583347513 849672356 /nfs/dbraw/zinc/67/23/56/849672356.db2.gz RPNKDDVICLRIAA-HSZRJFAPSA-N 2 1 392.503 3.766 20 0 GHADMP COc1cccc(C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]2CCCO2)c1 ZINC000583347513 849672360 /nfs/dbraw/zinc/67/23/60/849672360.db2.gz RPNKDDVICLRIAA-HSZRJFAPSA-N 2 1 392.503 3.766 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Br ZINC000423184412 849775825 /nfs/dbraw/zinc/77/58/25/849775825.db2.gz HXQKEPYKLFKQGF-AWEZNQCLSA-N 2 1 378.314 3.683 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCCNCc4cccnc4)[C@H]3C2)cc1 ZINC000423186608 849776683 /nfs/dbraw/zinc/77/66/83/849776683.db2.gz LEQCKPIPRQSIEI-CCDWMCETSA-N 2 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000423186608 849776687 /nfs/dbraw/zinc/77/66/87/849776687.db2.gz LEQCKPIPRQSIEI-CCDWMCETSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000423186608 849776691 /nfs/dbraw/zinc/77/66/91/849776691.db2.gz LEQCKPIPRQSIEI-CCDWMCETSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000423186608 849776696 /nfs/dbraw/zinc/77/66/96/849776696.db2.gz LEQCKPIPRQSIEI-CCDWMCETSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000423186608 849776703 /nfs/dbraw/zinc/77/67/03/849776703.db2.gz LEQCKPIPRQSIEI-CCDWMCETSA-N 3 1 392.591 3.842 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000423343867 849862228 /nfs/dbraw/zinc/86/22/28/849862228.db2.gz WHVGOCNXNMBKJG-HQTOUJSTSA-N 2 1 393.575 3.783 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)cc1 ZINC000423332457 849869269 /nfs/dbraw/zinc/86/92/69/849869269.db2.gz NKSAPDOCEXJIIW-SSKFGXFMSA-N 2 1 398.547 3.687 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2C(F)(F)F)C2CCCC2)C1 ZINC000414746936 849940297 /nfs/dbraw/zinc/94/02/97/849940297.db2.gz MIALAVIVGUNCTD-MRXNPFEDSA-N 2 1 397.485 3.647 20 0 GHADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000423504128 849946272 /nfs/dbraw/zinc/94/62/72/849946272.db2.gz GJFXHQYXEKFKKV-CTWPCTMYSA-N 2 1 380.374 3.706 20 0 GHADMP Fc1ccccc1C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423512427 849961972 /nfs/dbraw/zinc/96/19/72/849961972.db2.gz QFPWWQCCSMDIHR-IWAAJCSBSA-N 2 1 381.539 3.916 20 0 GHADMP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423520305 849965305 /nfs/dbraw/zinc/96/53/05/849965305.db2.gz RFDUVFHSVBWAJV-DSPTVTNZSA-N 2 1 385.596 3.769 20 0 GHADMP c1c(C[NH2+]CCC[NH2+]Cc2cccnc2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414861700 849966576 /nfs/dbraw/zinc/96/65/76/849966576.db2.gz SZXYSJCWISYLGB-UHFFFAOYSA-N 2 1 390.535 3.725 20 0 GHADMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000423813730 850068496 /nfs/dbraw/zinc/06/84/96/850068496.db2.gz SGELMFPIXAXZIM-UGSOOPFHSA-N 2 1 386.367 3.693 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Cl)cc1 ZINC000518781843 850143402 /nfs/dbraw/zinc/14/34/02/850143402.db2.gz ZEUGHDKRGRRPDG-FXAWDEMLSA-N 2 1 388.943 3.607 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Cl)cc1 ZINC000518781843 850143410 /nfs/dbraw/zinc/14/34/10/850143410.db2.gz ZEUGHDKRGRRPDG-FXAWDEMLSA-N 2 1 388.943 3.607 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)C1 ZINC000486940961 850264325 /nfs/dbraw/zinc/26/43/25/850264325.db2.gz LAMRPOAUDTYJDH-HNNXBMFYSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)C1 ZINC000486940961 850264338 /nfs/dbraw/zinc/26/43/38/850264338.db2.gz LAMRPOAUDTYJDH-HNNXBMFYSA-N 2 1 391.357 3.704 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000518879027 850277540 /nfs/dbraw/zinc/27/75/40/850277540.db2.gz IZBIWWOJKLUCSF-LJQANCHMSA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000518879027 850277553 /nfs/dbraw/zinc/27/75/53/850277553.db2.gz IZBIWWOJKLUCSF-LJQANCHMSA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000518879027 850277566 /nfs/dbraw/zinc/27/75/66/850277566.db2.gz IZBIWWOJKLUCSF-LJQANCHMSA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000518879027 850277575 /nfs/dbraw/zinc/27/75/75/850277575.db2.gz IZBIWWOJKLUCSF-LJQANCHMSA-N 2 1 379.548 3.590 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)cc1 ZINC000424334517 850369452 /nfs/dbraw/zinc/36/94/52/850369452.db2.gz WVFALIJFJMBNAG-LJQANCHMSA-N 2 1 390.531 3.970 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424336928 850395912 /nfs/dbraw/zinc/39/59/12/850395912.db2.gz ZIKCKWHLLMYYOL-ZJSXRUAMSA-N 2 1 393.575 3.626 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424336928 850395927 /nfs/dbraw/zinc/39/59/27/850395927.db2.gz ZIKCKWHLLMYYOL-ZJSXRUAMSA-N 2 1 393.575 3.626 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cnn(-c3ccc(Br)cc3)c1)CC[NH2+]CC2 ZINC000424375818 850413648 /nfs/dbraw/zinc/41/36/48/850413648.db2.gz KDJMXIVGZQIMRX-OAHLLOKOSA-N 2 1 389.341 3.599 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000424438583 850450329 /nfs/dbraw/zinc/45/03/29/850450329.db2.gz QDXQPYJWAGECLJ-PGRDOPGGSA-N 2 1 380.536 3.971 20 0 GHADMP COc1ccc(C[C@@H](C)C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1F ZINC000435426782 850507654 /nfs/dbraw/zinc/50/76/54/850507654.db2.gz JSTRNQLEXANZJF-CRAIPNDOSA-N 2 1 391.556 3.890 20 0 GHADMP CCn1ccnc1C[N@H+](Cc1cccc2cccnc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435435636 850522629 /nfs/dbraw/zinc/52/26/29/850522629.db2.gz YXKOOJBJYBPUMN-HXUWFJFHSA-N 2 1 375.520 3.596 20 0 GHADMP CCn1ccnc1C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435435636 850522637 /nfs/dbraw/zinc/52/26/37/850522637.db2.gz YXKOOJBJYBPUMN-HXUWFJFHSA-N 2 1 375.520 3.596 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)n2)cc1 ZINC000515006175 850575696 /nfs/dbraw/zinc/57/56/96/850575696.db2.gz WFXAYDXLADMKCO-WOJBJXKFSA-N 2 1 384.524 3.578 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)n2)cc1 ZINC000515006173 850576007 /nfs/dbraw/zinc/57/60/07/850576007.db2.gz WFXAYDXLADMKCO-UXHICEINSA-N 2 1 384.524 3.578 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000522599587 862155410 /nfs/dbraw/zinc/15/54/10/862155410.db2.gz WCCYLTHPJHJIEM-IBGZPJMESA-N 2 1 386.584 3.728 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000440008906 850696601 /nfs/dbraw/zinc/69/66/01/850696601.db2.gz YOOLWAJITYMHSQ-SIKLNZKXSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440008906 850696607 /nfs/dbraw/zinc/69/66/07/850696607.db2.gz YOOLWAJITYMHSQ-SIKLNZKXSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440008906 850696610 /nfs/dbraw/zinc/69/66/10/850696610.db2.gz YOOLWAJITYMHSQ-SIKLNZKXSA-N 2 1 375.601 3.897 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CCO1 ZINC000668784392 850743748 /nfs/dbraw/zinc/74/37/48/850743748.db2.gz FIVVOWAOIOIJSF-OAQYLSRUSA-N 2 1 378.520 3.568 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CCO1 ZINC000668784392 850743755 /nfs/dbraw/zinc/74/37/55/850743755.db2.gz FIVVOWAOIOIJSF-OAQYLSRUSA-N 2 1 378.520 3.568 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435692433 850772741 /nfs/dbraw/zinc/77/27/41/850772741.db2.gz JULHLMMODLSCKA-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435692433 850772747 /nfs/dbraw/zinc/77/27/47/850772747.db2.gz JULHLMMODLSCKA-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N(C1CC1)C1CCCC1 ZINC000435697803 850778967 /nfs/dbraw/zinc/77/89/67/850778967.db2.gz ZGHBTJNEMIPQJM-FQEVSTJZSA-N 2 1 387.593 3.626 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N(C1CC1)C1CCCC1 ZINC000435697803 850778973 /nfs/dbraw/zinc/77/89/73/850778973.db2.gz ZGHBTJNEMIPQJM-FQEVSTJZSA-N 2 1 387.593 3.626 20 0 GHADMP c1csc(C[N@@H+](CCCOCCc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435699011 850780092 /nfs/dbraw/zinc/78/00/92/850780092.db2.gz YATOZRFXYJDMDH-FQEVSTJZSA-N 2 1 385.577 3.737 20 0 GHADMP c1csc(C[N@H+](CCCOCCc2ccccc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435699011 850780098 /nfs/dbraw/zinc/78/00/98/850780098.db2.gz YATOZRFXYJDMDH-FQEVSTJZSA-N 2 1 385.577 3.737 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1 ZINC000487895028 850974521 /nfs/dbraw/zinc/97/45/21/850974521.db2.gz YJQILRCEKBDXPS-DEOSSOPVSA-N 2 1 394.563 3.602 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)[C@H](C)C2 ZINC000180503865 862197390 /nfs/dbraw/zinc/19/73/90/862197390.db2.gz QLVTZZXVZMGBFO-RVSNTGDXSA-N 2 1 391.559 3.715 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000488031003 851095982 /nfs/dbraw/zinc/09/59/82/851095982.db2.gz CLCSWMJULFYDNO-WWMYMODYSA-N 2 1 385.939 3.770 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000555927680 862207448 /nfs/dbraw/zinc/20/74/48/862207448.db2.gz FJOMSSZNLRDOSK-VQTJNVASSA-N 2 1 384.430 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000555927680 862207463 /nfs/dbraw/zinc/20/74/63/862207463.db2.gz FJOMSSZNLRDOSK-VQTJNVASSA-N 2 1 384.430 3.566 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@@](CC)(CO)C3)c2)C1 ZINC000187583999 851199392 /nfs/dbraw/zinc/19/93/92/851199392.db2.gz XRTKDZYYBUHNKE-DNQXCXABSA-N 2 1 388.596 3.656 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000514084835 851220655 /nfs/dbraw/zinc/22/06/55/851220655.db2.gz RXARZPWIDLEOBH-LJQANCHMSA-N 2 1 375.520 3.625 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168374344 851253671 /nfs/dbraw/zinc/25/36/71/851253671.db2.gz ZPCOEOIIWWAMHT-QFIPXVFZSA-N 2 1 377.573 3.726 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000469490849 851348155 /nfs/dbraw/zinc/34/81/55/851348155.db2.gz YQCLOLXXTRGMCJ-MGPQQGTHSA-N 2 1 382.346 3.711 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1)N1CCCCC1 ZINC000436313350 851448144 /nfs/dbraw/zinc/44/81/44/851448144.db2.gz LQPUGKUJWIZODC-GNADVCDUSA-N 2 1 395.591 3.668 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000488410709 851487992 /nfs/dbraw/zinc/48/79/92/851487992.db2.gz ZRTQTHCNDRJRQI-UHFFFAOYSA-N 2 1 383.330 3.732 20 0 GHADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241513 851579222 /nfs/dbraw/zinc/57/92/22/851579222.db2.gz SQFJRDNGJONWIN-INIZCTEOSA-N 2 1 397.485 3.643 20 0 GHADMP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473738932 851806897 /nfs/dbraw/zinc/80/68/97/851806897.db2.gz MMQDOSCGMAMJFV-ZVDOUQERSA-N 2 1 388.600 3.830 20 0 GHADMP COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000664838490 851885956 /nfs/dbraw/zinc/88/59/56/851885956.db2.gz SBVZASQQITVGEF-JOCHJYFZSA-N 2 1 380.536 3.608 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1)C[NH+](C)C ZINC000425942816 851964578 /nfs/dbraw/zinc/96/45/78/851964578.db2.gz OITCMSWKQNJVSU-MSOLQXFVSA-N 2 1 395.613 3.536 20 0 GHADMP Brc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc2c1OCCCO2 ZINC000517549925 852108070 /nfs/dbraw/zinc/10/80/70/852108070.db2.gz CZBCPPLSUXBOHY-UHFFFAOYSA-N 2 1 395.341 3.717 20 0 GHADMP c1[nH]nc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)ccc12 ZINC000550270748 852240067 /nfs/dbraw/zinc/24/00/67/852240067.db2.gz AZJSAKJDEBFGLT-QFIPXVFZSA-N 2 1 390.531 3.581 20 0 GHADMP Cc1cccc(-c2noc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n2)c1 ZINC000426833430 852468018 /nfs/dbraw/zinc/46/80/18/852468018.db2.gz KWGSUCMUHPHHQR-RTBURBONSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489645061 852506030 /nfs/dbraw/zinc/50/60/30/852506030.db2.gz DDYJHZICQCZRAQ-IBGZPJMESA-N 2 1 397.538 3.674 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000489716376 852542780 /nfs/dbraw/zinc/54/27/80/852542780.db2.gz OSILOQNRZDCSOE-AVRDEDQJSA-N 2 1 395.522 3.953 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)c2cccs2)CC1 ZINC000517865910 852550526 /nfs/dbraw/zinc/55/05/26/852550526.db2.gz VYQIYVCZOUWAKM-IBGZPJMESA-N 2 1 392.613 3.695 20 0 GHADMP CCC(CC)n1ccc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000438572822 852572731 /nfs/dbraw/zinc/57/27/31/852572731.db2.gz HAJPOILWZQSKSC-OALUTQOASA-N 2 1 376.589 3.956 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000489857267 852611269 /nfs/dbraw/zinc/61/12/69/852611269.db2.gz QRQCMYFOPSBINV-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000489857267 852611273 /nfs/dbraw/zinc/61/12/73/852611273.db2.gz QRQCMYFOPSBINV-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000489857267 852611276 /nfs/dbraw/zinc/61/12/76/852611276.db2.gz QRQCMYFOPSBINV-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000489982448 852706320 /nfs/dbraw/zinc/70/63/20/852706320.db2.gz PYGQITAYJGOPCX-DHIUTWEWSA-N 2 1 379.548 3.941 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000489982448 852706326 /nfs/dbraw/zinc/70/63/26/852706326.db2.gz PYGQITAYJGOPCX-DHIUTWEWSA-N 2 1 379.548 3.941 20 0 GHADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000490131681 852784694 /nfs/dbraw/zinc/78/46/94/852784694.db2.gz XOLNDZRTXWRXOU-JOCHJYFZSA-N 2 1 384.543 3.859 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000490164899 852801427 /nfs/dbraw/zinc/80/14/27/852801427.db2.gz RQOWVPGYZBRWHE-HSZRJFAPSA-N 2 1 379.548 3.982 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000490173842 852806038 /nfs/dbraw/zinc/80/60/38/852806038.db2.gz YHWRPPPMHVMGHY-JOCHJYFZSA-N 2 1 397.544 3.591 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC12CCOCC2 ZINC000516649871 852840736 /nfs/dbraw/zinc/84/07/36/852840736.db2.gz AMCLEOMRALPIGK-MRXNPFEDSA-N 2 1 376.447 3.629 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000507388078 852872170 /nfs/dbraw/zinc/87/21/70/852872170.db2.gz DLDYZGXLCNMLBA-XLIONFOSSA-N 2 1 392.975 3.508 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000507388074 852872438 /nfs/dbraw/zinc/87/24/38/852872438.db2.gz DLDYZGXLCNMLBA-FXAWDEMLSA-N 2 1 392.975 3.508 20 0 GHADMP CC(C)N(C(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC000519606085 852928418 /nfs/dbraw/zinc/92/84/18/852928418.db2.gz DMAVDLYJBFKRKS-FGZHOGPDSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CCCC1 ZINC000519606085 852928422 /nfs/dbraw/zinc/92/84/22/852928422.db2.gz DMAVDLYJBFKRKS-FGZHOGPDSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CCCC1 ZINC000519606085 852928428 /nfs/dbraw/zinc/92/84/28/852928428.db2.gz DMAVDLYJBFKRKS-FGZHOGPDSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CCCC1 ZINC000519606085 852928433 /nfs/dbraw/zinc/92/84/33/852928433.db2.gz DMAVDLYJBFKRKS-FGZHOGPDSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CCCC1 ZINC000519606085 852928440 /nfs/dbraw/zinc/92/84/40/852928440.db2.gz DMAVDLYJBFKRKS-FGZHOGPDSA-N 2 1 383.580 3.620 20 0 GHADMP FC(F)(F)CC[NH+]1CCC(NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000507483546 852965067 /nfs/dbraw/zinc/96/50/67/852965067.db2.gz HEVLHOQKBCQZOK-INIZCTEOSA-N 2 1 375.504 3.891 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167986489 853108874 /nfs/dbraw/zinc/10/88/74/853108874.db2.gz FXXNBESFRZCVMA-AUGMSIGLSA-N 2 1 389.584 3.866 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167986489 853108878 /nfs/dbraw/zinc/10/88/78/853108878.db2.gz FXXNBESFRZCVMA-AUGMSIGLSA-N 2 1 389.584 3.866 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167986489 853108884 /nfs/dbraw/zinc/10/88/84/853108884.db2.gz FXXNBESFRZCVMA-AUGMSIGLSA-N 2 1 389.584 3.866 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1(C)C ZINC000546122235 853162662 /nfs/dbraw/zinc/16/26/62/853162662.db2.gz BWTHLLRQPVOEHY-QGZVFWFLSA-N 2 1 375.582 3.542 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491201 853193466 /nfs/dbraw/zinc/19/34/66/853193466.db2.gz CJSNQOPERMEKSG-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491201 853193470 /nfs/dbraw/zinc/19/34/70/853193470.db2.gz CJSNQOPERMEKSG-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491201 853193472 /nfs/dbraw/zinc/19/34/72/853193472.db2.gz CJSNQOPERMEKSG-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491201 853193477 /nfs/dbraw/zinc/19/34/77/853193477.db2.gz CJSNQOPERMEKSG-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167987013 853195653 /nfs/dbraw/zinc/19/56/53/853195653.db2.gz JEWMSKIMMZAJLI-FYKRDEHLSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167987013 853195660 /nfs/dbraw/zinc/19/56/60/853195660.db2.gz JEWMSKIMMZAJLI-FYKRDEHLSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167987013 853195662 /nfs/dbraw/zinc/19/56/62/853195662.db2.gz JEWMSKIMMZAJLI-FYKRDEHLSA-N 2 1 389.584 3.723 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000506475556 853232256 /nfs/dbraw/zinc/23/22/56/853232256.db2.gz XYJMDRJOIOYXLL-MDNUFGMLSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000506475556 853232265 /nfs/dbraw/zinc/23/22/65/853232265.db2.gz XYJMDRJOIOYXLL-MDNUFGMLSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1C ZINC000506475556 853232275 /nfs/dbraw/zinc/23/22/75/853232275.db2.gz XYJMDRJOIOYXLL-MDNUFGMLSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1C ZINC000506475556 853232280 /nfs/dbraw/zinc/23/22/80/853232280.db2.gz XYJMDRJOIOYXLL-MDNUFGMLSA-N 2 1 388.596 3.938 20 0 GHADMP CCn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c(-c2ccccc2)n1 ZINC000894864596 853261613 /nfs/dbraw/zinc/26/16/13/853261613.db2.gz FHUCMMRAKUWBBA-CBQGHPETSA-N 2 1 382.552 3.644 20 0 GHADMP CCn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c(-c2ccccc2)n1 ZINC000894864596 853261623 /nfs/dbraw/zinc/26/16/23/853261623.db2.gz FHUCMMRAKUWBBA-CBQGHPETSA-N 2 1 382.552 3.644 20 0 GHADMP CCn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c(-c2ccccc2)n1 ZINC000894864596 853261634 /nfs/dbraw/zinc/26/16/34/853261634.db2.gz FHUCMMRAKUWBBA-CBQGHPETSA-N 2 1 382.552 3.644 20 0 GHADMP CCn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c(-c2ccccc2)n1 ZINC000894864596 853261641 /nfs/dbraw/zinc/26/16/41/853261641.db2.gz FHUCMMRAKUWBBA-CBQGHPETSA-N 2 1 382.552 3.644 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000518407231 853308448 /nfs/dbraw/zinc/30/84/48/853308448.db2.gz IUNXUPOCJQAHFZ-KDURUIRLSA-N 2 1 380.621 3.506 20 0 GHADMP C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426286839 853336994 /nfs/dbraw/zinc/33/69/94/853336994.db2.gz SMSSKTTXQOEZBD-RXVVDRJESA-N 2 1 375.516 3.539 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963906 853374396 /nfs/dbraw/zinc/37/43/96/853374396.db2.gz IMQURMMCRLIKJU-OFVILXPXSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963906 853374405 /nfs/dbraw/zinc/37/44/05/853374405.db2.gz IMQURMMCRLIKJU-OFVILXPXSA-N 2 1 393.575 3.723 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000426328062 853471459 /nfs/dbraw/zinc/47/14/59/853471459.db2.gz XGCMKYYZILFOAI-GOSISDBHSA-N 2 1 381.358 3.773 20 0 GHADMP c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)C3)nc1 ZINC001167988436 853540486 /nfs/dbraw/zinc/54/04/86/853540486.db2.gz KPRZGTWQMIHWLM-UVINLSLCSA-N 2 1 381.564 3.968 20 0 GHADMP c1ccc(OC[C@@]23CCC[C@@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)C3)nc1 ZINC001167988436 853540492 /nfs/dbraw/zinc/54/04/92/853540492.db2.gz KPRZGTWQMIHWLM-UVINLSLCSA-N 2 1 381.564 3.968 20 0 GHADMP c1ccc(OC[C@@]23CCC[C@@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)C3)nc1 ZINC001167988436 853540498 /nfs/dbraw/zinc/54/04/98/853540498.db2.gz KPRZGTWQMIHWLM-UVINLSLCSA-N 2 1 381.564 3.968 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000517324940 853660786 /nfs/dbraw/zinc/66/07/86/853660786.db2.gz BWZJEZHKUWKVIM-XMMPIXPASA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000517324940 853660793 /nfs/dbraw/zinc/66/07/93/853660793.db2.gz BWZJEZHKUWKVIM-XMMPIXPASA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000517324940 853660799 /nfs/dbraw/zinc/66/07/99/853660799.db2.gz BWZJEZHKUWKVIM-XMMPIXPASA-N 2 1 391.559 3.649 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571565931 853951434 /nfs/dbraw/zinc/95/14/34/853951434.db2.gz NPLFBCIMYODJRS-NZSAHSFTSA-N 2 1 397.485 3.737 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000112528180 854258409 /nfs/dbraw/zinc/25/84/09/854258409.db2.gz ZPHPXYCBVVOKFK-MOPGFXCFSA-N 2 1 397.567 3.955 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000572047557 854344455 /nfs/dbraw/zinc/34/44/55/854344455.db2.gz MOYIHLOULHWWKU-OYDLWJJNSA-N 2 1 391.559 3.596 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000572047557 854344464 /nfs/dbraw/zinc/34/44/64/854344464.db2.gz MOYIHLOULHWWKU-OYDLWJJNSA-N 2 1 391.559 3.596 20 0 GHADMP CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473947395 854374682 /nfs/dbraw/zinc/37/46/82/854374682.db2.gz RZRHHPAHCPTTQK-CVDCTZTESA-N 2 1 398.595 3.728 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)CC[N@H+]3C2)cc1 ZINC001167993777 854393434 /nfs/dbraw/zinc/39/34/34/854393434.db2.gz SEBYZQXLLOYTEN-CGXGWFTRSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)CC[NH+]3C2)cc1 ZINC001167993777 854393438 /nfs/dbraw/zinc/39/34/38/854393438.db2.gz SEBYZQXLLOYTEN-CGXGWFTRSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC[NH+]3C2)cc1 ZINC001167993777 854393441 /nfs/dbraw/zinc/39/34/41/854393441.db2.gz SEBYZQXLLOYTEN-CGXGWFTRSA-N 2 1 395.591 3.538 20 0 GHADMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441448034 854466548 /nfs/dbraw/zinc/46/65/48/854466548.db2.gz FXDWUJATTFMINZ-QPPBQGQZSA-N 2 1 394.559 3.901 20 0 GHADMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441448034 854466554 /nfs/dbraw/zinc/46/65/54/854466554.db2.gz FXDWUJATTFMINZ-QPPBQGQZSA-N 2 1 394.559 3.901 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C3CC3)nc3ccccc32)CC1 ZINC000588850387 854549066 /nfs/dbraw/zinc/54/90/66/854549066.db2.gz VAGQULOXCCITFQ-UHFFFAOYSA-N 2 1 387.487 3.511 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654994450 854831121 /nfs/dbraw/zinc/83/11/21/854831121.db2.gz LXFMZJVQIZKLGY-HSZRJFAPSA-N 2 1 385.596 3.869 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccccc3SC)CC2)CC1 ZINC000572779064 854985502 /nfs/dbraw/zinc/98/55/02/854985502.db2.gz AAORGXXPBLIMRB-UHFFFAOYSA-N 2 1 389.609 3.563 20 0 GHADMP Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482035889 862629783 /nfs/dbraw/zinc/62/97/83/862629783.db2.gz UGMZMMVJYHYHIV-HSZRJFAPSA-N 2 1 394.563 3.767 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000482016039 862631029 /nfs/dbraw/zinc/63/10/29/862631029.db2.gz MRFUOGZOYOFXRZ-QFBILLFUSA-N 2 1 395.975 3.704 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590147015 855297991 /nfs/dbraw/zinc/29/79/91/855297991.db2.gz CUKPFCFJSSBFSZ-IFMALSPDSA-N 2 1 386.584 3.777 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000590151378 855299361 /nfs/dbraw/zinc/29/93/61/855299361.db2.gz ZXOCRDJMORFUFX-IBGZPJMESA-N 2 1 392.613 3.647 20 0 GHADMP Cc1cccc(NC(=O)NC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168001471 855445420 /nfs/dbraw/zinc/44/54/20/855445420.db2.gz CBRGLRHSCLPPBY-AIZNXBIQSA-N 2 1 396.579 3.986 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1NC(C)=O ZINC000482118410 862699582 /nfs/dbraw/zinc/69/95/82/862699582.db2.gz DATLOWJODNAZRV-LAUBAEHRSA-N 2 1 381.520 3.654 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1NC(C)=O ZINC000482118410 862699590 /nfs/dbraw/zinc/69/95/90/862699590.db2.gz DATLOWJODNAZRV-LAUBAEHRSA-N 2 1 381.520 3.654 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000482108170 862710129 /nfs/dbraw/zinc/71/01/29/862710129.db2.gz YNWZYUPKCBDRFK-HNAYVOBHSA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000482108170 862710140 /nfs/dbraw/zinc/71/01/40/862710140.db2.gz YNWZYUPKCBDRFK-HNAYVOBHSA-N 2 1 388.474 3.941 20 0 GHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000152377536 855830665 /nfs/dbraw/zinc/83/06/65/855830665.db2.gz YRNLQJAPWZXOGC-FGTMMUONSA-N 2 1 391.987 3.901 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000152377536 855830688 /nfs/dbraw/zinc/83/06/88/855830688.db2.gz YRNLQJAPWZXOGC-FGTMMUONSA-N 2 1 391.987 3.901 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[NH+](C)C1CCCC1 ZINC000591407369 855962408 /nfs/dbraw/zinc/96/24/08/855962408.db2.gz WQAKUQWMRUGRRW-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000591407369 855962417 /nfs/dbraw/zinc/96/24/17/855962417.db2.gz WQAKUQWMRUGRRW-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000591407369 855962429 /nfs/dbraw/zinc/96/24/29/855962429.db2.gz WQAKUQWMRUGRRW-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000542831063 856061236 /nfs/dbraw/zinc/06/12/36/856061236.db2.gz BUVSKKFNUOMERN-XMMPIXPASA-N 2 1 393.575 3.963 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)[NH+]2CCCC2)cc1 ZINC000465820657 856127521 /nfs/dbraw/zinc/12/75/21/856127521.db2.gz WVYWVYSOALTFET-VJBWXMMDSA-N 2 1 398.595 3.789 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905121678 856168547 /nfs/dbraw/zinc/16/85/47/856168547.db2.gz FDIVFHLPCVBEES-AVRDEDQJSA-N 2 1 393.531 3.723 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)[C@@H]1c1cccs1 ZINC000905132302 856180584 /nfs/dbraw/zinc/18/05/84/856180584.db2.gz MCMBGRFRGUTSRQ-JAXLGGSGSA-N 2 1 388.577 3.688 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)[C@@H]1c1cccs1 ZINC000905132302 856180593 /nfs/dbraw/zinc/18/05/93/856180593.db2.gz MCMBGRFRGUTSRQ-JAXLGGSGSA-N 2 1 388.577 3.688 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669417172 856220020 /nfs/dbraw/zinc/22/00/20/856220020.db2.gz DQSLNSASYRFCHS-WNRNVDISSA-N 2 1 375.607 3.880 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000485219424 856230903 /nfs/dbraw/zinc/23/09/03/856230903.db2.gz ONQRHWVYXHBJAH-XQUALCHDSA-N 2 1 390.575 3.941 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)cc1 ZINC000181151276 862774751 /nfs/dbraw/zinc/77/47/51/862774751.db2.gz QJBMRMHLWPGFPG-QGZVFWFLSA-N 2 1 390.487 3.647 20 0 GHADMP CN(C)[C@H](CNC(=O)Nc1nc(CN2CCCCC2)cs1)c1cccs1 ZINC000043517678 856537679 /nfs/dbraw/zinc/53/76/79/856537679.db2.gz PCHBBDDQJOXPES-OAHLLOKOSA-N 2 1 393.582 3.615 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508049453 856832399 /nfs/dbraw/zinc/83/23/99/856832399.db2.gz GNDVDLQIWOCBBX-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000427888020 856846584 /nfs/dbraw/zinc/84/65/84/856846584.db2.gz CIKVEPLQKAECMQ-YFNKSVMNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000427888020 856846586 /nfs/dbraw/zinc/84/65/86/856846586.db2.gz CIKVEPLQKAECMQ-YFNKSVMNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000427888020 856846593 /nfs/dbraw/zinc/84/65/93/856846593.db2.gz CIKVEPLQKAECMQ-YFNKSVMNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000427888020 856846601 /nfs/dbraw/zinc/84/66/01/856846601.db2.gz CIKVEPLQKAECMQ-YFNKSVMNSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000427888020 856846609 /nfs/dbraw/zinc/84/66/09/856846609.db2.gz CIKVEPLQKAECMQ-YFNKSVMNSA-N 2 1 387.612 3.768 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000465915923 856949485 /nfs/dbraw/zinc/94/94/85/856949485.db2.gz BPAINJGTFIOPJO-IRLDBZIGSA-N 2 1 386.584 3.504 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000574102914 857246676 /nfs/dbraw/zinc/24/66/76/857246676.db2.gz UWDHNMSFHPEZST-QODFHFCMSA-N 2 1 391.559 3.666 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)c2cccs2)CC1 ZINC000520932500 857417338 /nfs/dbraw/zinc/41/73/38/857417338.db2.gz DUDGWIJDQAUTDH-QGZVFWFLSA-N 2 1 399.482 3.725 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000521011671 857513173 /nfs/dbraw/zinc/51/31/73/857513173.db2.gz WHGYJSDAGVSQBZ-AUSIDOKSSA-N 2 1 377.532 3.956 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OCC ZINC000675881492 857659153 /nfs/dbraw/zinc/65/91/53/857659153.db2.gz MEQSXSZIDMYZDO-XLIONFOSSA-N 2 1 376.541 3.778 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000486363595 857676894 /nfs/dbraw/zinc/67/68/94/857676894.db2.gz ZVZUSZRSUXAQQF-XLIONFOSSA-N 2 1 384.520 3.713 20 0 GHADMP c1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n(-c2ccccc2)n1 ZINC000499600717 857686830 /nfs/dbraw/zinc/68/68/30/857686830.db2.gz QIRZPIGYQXGYTA-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP c1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n(-c2ccccc2)n1 ZINC000499600717 857686834 /nfs/dbraw/zinc/68/68/34/857686834.db2.gz QIRZPIGYQXGYTA-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000521163183 857687231 /nfs/dbraw/zinc/68/72/31/857687231.db2.gz GRTJLGQPSVTOEF-NZQKXSOJSA-N 2 1 394.563 3.643 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)CC1 ZINC000624195237 862953016 /nfs/dbraw/zinc/95/30/16/862953016.db2.gz BOOBZKPKUNETJL-QORUQQEXSA-N 2 1 381.520 3.650 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000804128920 857817775 /nfs/dbraw/zinc/81/77/75/857817775.db2.gz VCLSRDQMXSYJSL-LJQANCHMSA-N 2 1 376.932 3.824 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000804128920 857817790 /nfs/dbraw/zinc/81/77/90/857817790.db2.gz VCLSRDQMXSYJSL-LJQANCHMSA-N 2 1 376.932 3.824 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000065881097 857871028 /nfs/dbraw/zinc/87/10/28/857871028.db2.gz ZWQHXNVXAAOGFH-UHFFFAOYSA-N 2 1 379.548 3.667 20 0 GHADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568530 857871265 /nfs/dbraw/zinc/87/12/65/857871265.db2.gz SLFJGAXURMTENX-SIKLNZKXSA-N 2 1 375.520 3.576 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000672967080 857953560 /nfs/dbraw/zinc/95/35/60/857953560.db2.gz SAOCRYGBBJPCKR-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP OC1(c2cccc(C(F)(F)F)c2)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168371407 857977746 /nfs/dbraw/zinc/97/77/46/857977746.db2.gz KXLCDHVMTOLDNB-UHFFFAOYSA-N 2 1 382.470 3.863 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000442804391 858130829 /nfs/dbraw/zinc/13/08/29/858130829.db2.gz ZIQIZCQEMDNOPT-GMKZXUHWSA-N 2 1 389.543 3.814 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000574750235 858157535 /nfs/dbraw/zinc/15/75/35/858157535.db2.gz LJCFIOJONDILOE-NFBKMPQASA-N 2 1 382.548 3.858 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3sccc3C[NH+](C)C)C2)s1 ZINC000521634425 858182838 /nfs/dbraw/zinc/18/28/38/858182838.db2.gz VHBZXHZZAZOIRA-MRXNPFEDSA-N 2 1 391.606 3.774 20 0 GHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1OC(F)F ZINC000442888988 858209642 /nfs/dbraw/zinc/20/96/42/858209642.db2.gz IOUFUSNKOGAHQD-ZDUSSCGKSA-N 2 1 375.891 3.618 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1(C)C ZINC000442891774 858212710 /nfs/dbraw/zinc/21/27/10/858212710.db2.gz SJTHBQCPRNYEBI-GOSISDBHSA-N 2 1 380.374 3.516 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282333989 858243871 /nfs/dbraw/zinc/24/38/71/858243871.db2.gz FZJRXOZDSDMJPT-WPYKKVEZSA-N 2 1 392.547 3.793 20 0 GHADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@H]1c1ccccc1 ZINC000543097383 858341181 /nfs/dbraw/zinc/34/11/81/858341181.db2.gz YZGAYCNFUBNZJV-PVERMEFCSA-N 2 1 391.559 3.666 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000443077998 858352675 /nfs/dbraw/zinc/35/26/75/858352675.db2.gz VTIJXLREAOFMEH-VGOFRKELSA-N 2 1 385.939 3.606 20 0 GHADMP C[C@H](CSCCF)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000595038218 858376660 /nfs/dbraw/zinc/37/66/60/858376660.db2.gz LDPQOJSUMWRWHR-UYAOXDASSA-N 2 1 380.573 3.596 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCC(c3ccccc3)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000575046248 858502684 /nfs/dbraw/zinc/50/26/84/858502684.db2.gz IBZQFOAWFJMSDH-VUPIPYFASA-N 2 1 383.580 3.541 20 0 GHADMP C[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463597 858528889 /nfs/dbraw/zinc/52/88/89/858528889.db2.gz XQNQAAXVNJUHQT-GGPKGHCWSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463597 858528894 /nfs/dbraw/zinc/52/88/94/858528894.db2.gz XQNQAAXVNJUHQT-GGPKGHCWSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463597 858528899 /nfs/dbraw/zinc/52/88/99/858528899.db2.gz XQNQAAXVNJUHQT-GGPKGHCWSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463597 858528905 /nfs/dbraw/zinc/52/89/05/858528905.db2.gz XQNQAAXVNJUHQT-GGPKGHCWSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H](C)O1 ZINC000067452573 858574540 /nfs/dbraw/zinc/57/45/40/858574540.db2.gz LTRUXZYRWCEDRU-HDICACEKSA-N 2 1 396.535 3.812 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522175167 858716515 /nfs/dbraw/zinc/71/65/15/858716515.db2.gz NXLBUJYSWHTNJR-JOCHJYFZSA-N 2 1 398.595 3.599 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000181946194 863060607 /nfs/dbraw/zinc/06/06/07/863060607.db2.gz QEHKHSDXJFWNAA-ROUUACIJSA-N 2 1 383.540 3.805 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000183555907 858771701 /nfs/dbraw/zinc/77/17/01/858771701.db2.gz FOAXWPUYJUSDOE-XMMPIXPASA-N 2 1 381.564 3.610 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)CC1 ZINC000676709694 858771920 /nfs/dbraw/zinc/77/19/20/858771920.db2.gz UBEZYOVIANNXNW-UHFFFAOYSA-N 2 1 399.501 3.618 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000183683742 858795626 /nfs/dbraw/zinc/79/56/26/858795626.db2.gz CDJKFVBNSFRSDO-CYBMUJFWSA-N 2 1 398.536 3.619 20 0 GHADMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000184332759 858915347 /nfs/dbraw/zinc/91/53/47/858915347.db2.gz MVEXROIYUADFMO-GOSISDBHSA-N 2 1 398.551 3.603 20 0 GHADMP c1c2ccncc2sc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000668145036 858917054 /nfs/dbraw/zinc/91/70/54/858917054.db2.gz ANDQNQSNNVGNQE-NRFANRHFSA-N 2 1 392.572 3.688 20 0 GHADMP c1c2ccncc2sc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000668145036 858917059 /nfs/dbraw/zinc/91/70/59/858917059.db2.gz ANDQNQSNNVGNQE-NRFANRHFSA-N 2 1 392.572 3.688 20 0 GHADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000482861593 858926631 /nfs/dbraw/zinc/92/66/31/858926631.db2.gz CIPFPJOTDJVQIG-UXLLHSPISA-N 2 1 389.367 3.976 20 0 GHADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482872243 858929423 /nfs/dbraw/zinc/92/94/23/858929423.db2.gz BMPUISIUKIJZJY-NRFANRHFSA-N 2 1 394.003 3.830 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CN2C(=O)C3(CCC3)[C@H]2c2cccnc2)CC1 ZINC000840001062 858939529 /nfs/dbraw/zinc/93/95/29/858939529.db2.gz WPMAWUXLIWCGRE-OAQYLSRUSA-N 2 1 384.568 3.537 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C(=O)C3(CCC3)[C@H]2c2cccnc2)CC1 ZINC000840001062 858939537 /nfs/dbraw/zinc/93/95/37/858939537.db2.gz WPMAWUXLIWCGRE-OAQYLSRUSA-N 2 1 384.568 3.537 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(OC)c(OC)c3C)C2)ccn1 ZINC000856548706 881363493 /nfs/dbraw/zinc/36/34/93/881363493.db2.gz MHGIEZOGMHFNSF-OAQYLSRUSA-N 2 1 399.535 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(OC)c(OC)c3C)C2)ccn1 ZINC000856548706 881363510 /nfs/dbraw/zinc/36/35/10/881363510.db2.gz MHGIEZOGMHFNSF-OAQYLSRUSA-N 2 1 399.535 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(OC)c(OC)c3C)C2)ccn1 ZINC000856548706 881363528 /nfs/dbraw/zinc/36/35/28/881363528.db2.gz MHGIEZOGMHFNSF-OAQYLSRUSA-N 2 1 399.535 3.512 20 0 GHADMP c1oc(-c2ccccc2)nc1CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166437095 858947805 /nfs/dbraw/zinc/94/78/05/858947805.db2.gz GPZMQHKBLFTWJF-IFMALSPDSA-N 2 1 380.536 3.522 20 0 GHADMP Brc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)sc1Br ZINC000227846850 858952497 /nfs/dbraw/zinc/95/24/97/858952497.db2.gz HRXIGRGRWPBVMG-VHSXEESVSA-N 2 1 394.176 3.990 20 0 GHADMP Brc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)sc1Br ZINC000227846850 858952502 /nfs/dbraw/zinc/95/25/02/858952502.db2.gz HRXIGRGRWPBVMG-VHSXEESVSA-N 2 1 394.176 3.990 20 0 GHADMP Brc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)sc1Br ZINC000227846850 858952495 /nfs/dbraw/zinc/95/24/95/858952495.db2.gz HRXIGRGRWPBVMG-VHSXEESVSA-N 2 1 394.176 3.990 20 0 GHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000482914730 858964171 /nfs/dbraw/zinc/96/41/71/858964171.db2.gz IZVYRZKPEQQFLM-RBUKOAKNSA-N 2 1 392.613 3.524 20 0 GHADMP Cc1ncsc1-c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000668160856 858980496 /nfs/dbraw/zinc/98/04/96/858980496.db2.gz JBTQORJBXOWITP-OAQYLSRUSA-N 2 1 384.593 3.719 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1F ZINC000856551115 881369372 /nfs/dbraw/zinc/36/93/72/881369372.db2.gz LARMLGRGCXDNGT-HXUWFJFHSA-N 2 1 387.499 3.724 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1F ZINC000856551115 881369395 /nfs/dbraw/zinc/36/93/95/881369395.db2.gz LARMLGRGCXDNGT-HXUWFJFHSA-N 2 1 387.499 3.724 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1F ZINC000856551115 881369415 /nfs/dbraw/zinc/36/94/15/881369415.db2.gz LARMLGRGCXDNGT-HXUWFJFHSA-N 2 1 387.499 3.724 20 0 GHADMP C[C@H](CC[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000194552412 859025823 /nfs/dbraw/zinc/02/58/23/859025823.db2.gz DFLDNUXZLMWNHF-HXUWFJFHSA-N 2 1 395.547 3.631 20 0 GHADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000185016381 859032668 /nfs/dbraw/zinc/03/26/68/859032668.db2.gz VCEPNHYPQKUQNM-IBGZPJMESA-N 2 1 388.577 3.787 20 0 GHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000483007714 859057202 /nfs/dbraw/zinc/05/72/02/859057202.db2.gz FIYDLAUQCNPCGJ-ZSJMHYJMSA-N 2 1 398.595 3.746 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(-c2ccncc2)n1 ZINC000668189752 859058268 /nfs/dbraw/zinc/05/82/68/859058268.db2.gz NZDHYFQPDKADMD-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP COC(=O)c1ccc(OCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185667920 859114899 /nfs/dbraw/zinc/11/48/99/859114899.db2.gz KDZDJYAMYFPXPO-WBVHZDCISA-N 2 1 394.943 3.748 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000543281821 859124477 /nfs/dbraw/zinc/12/44/77/859124477.db2.gz TZICOAIUVBCPFF-PMACEKPBSA-N 2 1 384.568 3.580 20 0 GHADMP COc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000185765186 859126871 /nfs/dbraw/zinc/12/68/71/859126871.db2.gz QKRRTTYQMSSVEG-CABCVRRESA-N 2 1 379.932 3.530 20 0 GHADMP COc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000185765186 859126877 /nfs/dbraw/zinc/12/68/77/859126877.db2.gz QKRRTTYQMSSVEG-CABCVRRESA-N 2 1 379.932 3.530 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000665363803 859135023 /nfs/dbraw/zinc/13/50/23/859135023.db2.gz CDPGGQACASAWPL-HMXCVIKNSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000665363803 859135027 /nfs/dbraw/zinc/13/50/27/859135027.db2.gz CDPGGQACASAWPL-HMXCVIKNSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000665363803 859135029 /nfs/dbraw/zinc/13/50/29/859135029.db2.gz CDPGGQACASAWPL-HMXCVIKNSA-N 2 1 386.584 3.554 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000543289767 859158645 /nfs/dbraw/zinc/15/86/45/859158645.db2.gz OYKSPQKFEMWASB-SFTDATJTSA-N 2 1 398.595 3.970 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000191489508 859181827 /nfs/dbraw/zinc/18/18/27/859181827.db2.gz WRIJLQXOGJLFNT-HYMXPIOVSA-N 2 1 386.584 3.631 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000191489508 859181836 /nfs/dbraw/zinc/18/18/36/859181836.db2.gz WRIJLQXOGJLFNT-HYMXPIOVSA-N 2 1 386.584 3.631 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nnn1-c1ccccc1 ZINC000483198264 859208128 /nfs/dbraw/zinc/20/81/28/859208128.db2.gz LFVVIQKHHRTJIC-QGZVFWFLSA-N 2 1 376.508 3.599 20 0 GHADMP O[C@H](C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000923347450 859237733 /nfs/dbraw/zinc/23/77/33/859237733.db2.gz QEEIEEYYTFUTBU-SJORKVTESA-N 2 1 395.931 3.613 20 0 GHADMP O[C@H](C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000923347450 859237741 /nfs/dbraw/zinc/23/77/41/859237741.db2.gz QEEIEEYYTFUTBU-SJORKVTESA-N 2 1 395.931 3.613 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC([NH2+]C(C)C)CC3)c2c1C ZINC000068902439 859249090 /nfs/dbraw/zinc/24/90/90/859249090.db2.gz SNFBKKBCNHEUKC-UHFFFAOYSA-N 2 1 387.597 3.871 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000641882831 859278365 /nfs/dbraw/zinc/27/83/65/859278365.db2.gz WQICJBMUPUVAOJ-HSZRJFAPSA-N 2 1 394.563 3.693 20 0 GHADMP COCCN(C)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cn1 ZINC000483300999 859280539 /nfs/dbraw/zinc/28/05/39/859280539.db2.gz ZDJFCTDTWNDXLD-FQEVSTJZSA-N 2 1 388.600 3.641 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000194889572 859327050 /nfs/dbraw/zinc/32/70/50/859327050.db2.gz LYJYTEYDXUPYHF-OALUTQOASA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000194889572 859327053 /nfs/dbraw/zinc/32/70/53/859327053.db2.gz LYJYTEYDXUPYHF-OALUTQOASA-N 2 1 397.567 3.559 20 0 GHADMP CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470751637 859337273 /nfs/dbraw/zinc/33/72/73/859337273.db2.gz OBLQDSIYDXXXBF-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499650 859374383 /nfs/dbraw/zinc/37/43/83/859374383.db2.gz MQBKYLCVMMGWKL-GRYCIOLGSA-N 2 1 377.838 3.603 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)C1 ZINC000429443458 859382962 /nfs/dbraw/zinc/38/29/62/859382962.db2.gz CYWWSMNDEKLASP-SDUSCBPUSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501125 859413535 /nfs/dbraw/zinc/41/35/35/859413535.db2.gz DTUXZSYVESEGGB-ZRGHVXQMSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501125 859413540 /nfs/dbraw/zinc/41/35/40/859413540.db2.gz DTUXZSYVESEGGB-ZRGHVXQMSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501125 859413546 /nfs/dbraw/zinc/41/35/46/859413546.db2.gz DTUXZSYVESEGGB-ZRGHVXQMSA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501125 859413549 /nfs/dbraw/zinc/41/35/49/859413549.db2.gz DTUXZSYVESEGGB-ZRGHVXQMSA-N 2 1 383.580 3.547 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccc(Cl)c3)cc2)C1 ZINC000657594206 859452613 /nfs/dbraw/zinc/45/26/13/859452613.db2.gz GKRUUYPTXPBQCV-OAQYLSRUSA-N 2 1 396.922 3.587 20 0 GHADMP CCC[N@H+](Cc1ccc(C(=O)OC)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198114 859493416 /nfs/dbraw/zinc/49/34/16/859493416.db2.gz ULIRAPOBQLTDLQ-UHFFFAOYSA-N 2 1 396.535 3.761 20 0 GHADMP CCC[N@@H+](Cc1ccc(C(=O)OC)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198114 859493421 /nfs/dbraw/zinc/49/34/21/859493421.db2.gz ULIRAPOBQLTDLQ-UHFFFAOYSA-N 2 1 396.535 3.761 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 ZINC000764882282 859658603 /nfs/dbraw/zinc/65/86/03/859658603.db2.gz KIXJLQSKNPSQSQ-CVDCTZTESA-N 2 1 379.548 3.651 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764972895 859704701 /nfs/dbraw/zinc/70/47/01/859704701.db2.gz SAVZYYWEASBRTE-OWCLPIDISA-N 2 1 388.524 3.702 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764972895 859704706 /nfs/dbraw/zinc/70/47/06/859704706.db2.gz SAVZYYWEASBRTE-OWCLPIDISA-N 2 1 388.524 3.702 20 0 GHADMP C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474278266 859751524 /nfs/dbraw/zinc/75/15/24/859751524.db2.gz SQGPBLNKQMEYAS-LJQANCHMSA-N 2 1 395.938 3.875 20 0 GHADMP C[NH+](Cc1ccc(Cl)cc1-n1cncn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474278266 859751534 /nfs/dbraw/zinc/75/15/34/859751534.db2.gz SQGPBLNKQMEYAS-LJQANCHMSA-N 2 1 395.938 3.875 20 0 GHADMP C[NH+](Cc1ccc(Cl)cc1-n1cncn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474278266 859751546 /nfs/dbraw/zinc/75/15/46/859751546.db2.gz SQGPBLNKQMEYAS-LJQANCHMSA-N 2 1 395.938 3.875 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(OC)c1 ZINC000856561796 881464872 /nfs/dbraw/zinc/46/48/72/881464872.db2.gz RISVMXZOJLFBOC-JOCHJYFZSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(OC)c1 ZINC000856561796 881465082 /nfs/dbraw/zinc/46/50/82/881465082.db2.gz RISVMXZOJLFBOC-JOCHJYFZSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(OC)c1 ZINC000856561796 881465291 /nfs/dbraw/zinc/46/52/91/881465291.db2.gz RISVMXZOJLFBOC-JOCHJYFZSA-N 2 1 399.535 3.592 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856562109 881470173 /nfs/dbraw/zinc/47/01/73/881470173.db2.gz VSJOMVVELZXNGZ-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856562109 881470184 /nfs/dbraw/zinc/47/01/84/881470184.db2.gz VSJOMVVELZXNGZ-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856562109 881470192 /nfs/dbraw/zinc/47/01/92/881470192.db2.gz VSJOMVVELZXNGZ-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000765245978 859863735 /nfs/dbraw/zinc/86/37/35/859863735.db2.gz QKRKRFCOIZZYKS-QPPBQGQZSA-N 2 1 387.612 3.946 20 0 GHADMP CCO/C=C/[C@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000895719947 859868811 /nfs/dbraw/zinc/86/88/11/859868811.db2.gz ZAPUXYCPYNWSKS-CDBZTZBOSA-N 2 1 398.469 3.617 20 0 GHADMP CCO/C=C/[C@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000895719947 859868825 /nfs/dbraw/zinc/86/88/25/859868825.db2.gz ZAPUXYCPYNWSKS-CDBZTZBOSA-N 2 1 398.469 3.617 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474339923 859900274 /nfs/dbraw/zinc/90/02/74/859900274.db2.gz WUMSFRUUVDFIMX-HSZRJFAPSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474339923 859900279 /nfs/dbraw/zinc/90/02/79/859900279.db2.gz WUMSFRUUVDFIMX-HSZRJFAPSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474339923 859900289 /nfs/dbraw/zinc/90/02/89/859900289.db2.gz WUMSFRUUVDFIMX-HSZRJFAPSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474339923 859900296 /nfs/dbraw/zinc/90/02/96/859900296.db2.gz WUMSFRUUVDFIMX-HSZRJFAPSA-N 2 1 397.538 3.947 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000484287665 859924765 /nfs/dbraw/zinc/92/47/65/859924765.db2.gz CEAIRDSQPHEXBL-HHXXYDBFSA-N 2 1 384.561 3.780 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765348915 859933023 /nfs/dbraw/zinc/93/30/23/859933023.db2.gz BBVHSAIYZBZNMN-GOSISDBHSA-N 2 1 379.504 3.958 20 0 GHADMP CC(C)C[N@H+](Cc1ccc(NC(=O)OC(C)(C)C)nn1)CC1CC[NH+](C)CC1 ZINC000895864786 860019602 /nfs/dbraw/zinc/01/96/02/860019602.db2.gz BGJRPEBHCGEAOU-UHFFFAOYSA-N 2 1 391.560 3.623 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CCOCC2)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035734 860183230 /nfs/dbraw/zinc/18/32/30/860183230.db2.gz USDCZNQXPOTBOX-IRMYBRCSSA-N 2 1 387.612 3.765 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC000474485454 860202522 /nfs/dbraw/zinc/20/25/22/860202522.db2.gz DVIURQSCNZXYBK-HOCLYGCPSA-N 2 1 386.321 3.544 20 0 GHADMP CCC(CC)(CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000115828627 860213724 /nfs/dbraw/zinc/21/37/24/860213724.db2.gz OJAPLMSTLNIGBE-VQTJNVASSA-N 2 1 388.600 3.879 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccco1 ZINC000484718661 860286574 /nfs/dbraw/zinc/28/65/74/860286574.db2.gz IIFJFJFKWSBWRV-FMWKFLBASA-N 2 1 398.551 3.844 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]C/C=C\c2ccccc2)c1)C1CCOCC1 ZINC000728063449 860362034 /nfs/dbraw/zinc/36/20/34/860362034.db2.gz NPOBTXJKMROXME-POHAHGRESA-N 2 1 380.532 3.979 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(F)c1 ZINC000631061789 860460185 /nfs/dbraw/zinc/46/01/85/860460185.db2.gz HFYFKZQOOABHAB-UHFFFAOYSA-N 2 1 386.511 3.914 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)ccc3Cl)C2)ccn1 ZINC000856584213 881554893 /nfs/dbraw/zinc/55/48/93/881554893.db2.gz FFDRSLQGMUTIAW-LJQANCHMSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)ccc3Cl)C2)ccn1 ZINC000856584213 881554903 /nfs/dbraw/zinc/55/49/03/881554903.db2.gz FFDRSLQGMUTIAW-LJQANCHMSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C2)ccn1 ZINC000856584213 881554907 /nfs/dbraw/zinc/55/49/07/881554907.db2.gz FFDRSLQGMUTIAW-LJQANCHMSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C2)ccn1 ZINC000856584213 881554915 /nfs/dbraw/zinc/55/49/15/881554915.db2.gz FFDRSLQGMUTIAW-LJQANCHMSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585452 881557322 /nfs/dbraw/zinc/55/73/22/881557322.db2.gz FQYZRRWTKGTQBM-YADARESESA-N 2 1 379.548 3.792 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585452 881557336 /nfs/dbraw/zinc/55/73/36/881557336.db2.gz FQYZRRWTKGTQBM-YADARESESA-N 2 1 379.548 3.792 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585452 881557352 /nfs/dbraw/zinc/55/73/52/881557352.db2.gz FQYZRRWTKGTQBM-YADARESESA-N 2 1 379.548 3.792 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474776294 860778226 /nfs/dbraw/zinc/77/82/26/860778226.db2.gz WCYLOESJJIMZOK-HSZRJFAPSA-N 2 1 395.522 3.702 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474776294 860778237 /nfs/dbraw/zinc/77/82/37/860778237.db2.gz WCYLOESJJIMZOK-HSZRJFAPSA-N 2 1 395.522 3.702 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000603611702 860905608 /nfs/dbraw/zinc/90/56/08/860905608.db2.gz JQHXJLKADYSIER-WIYYLYMNSA-N 2 1 386.584 3.680 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623374926 860962646 /nfs/dbraw/zinc/96/26/46/860962646.db2.gz WCKCOSOFQFJWIL-NVXWUHKLSA-N 2 1 380.374 3.738 20 0 GHADMP Cc1cccc2c1CC[N@@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000170921862 860990617 /nfs/dbraw/zinc/99/06/17/860990617.db2.gz XJWCDAZNADIHRF-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1cccc2c1CC[N@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000170921862 860990625 /nfs/dbraw/zinc/99/06/25/860990625.db2.gz XJWCDAZNADIHRF-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000481307055 861000411 /nfs/dbraw/zinc/00/04/11/861000411.db2.gz ITQZSPKSFNWRDQ-GBXCKJPGSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000481307055 861000428 /nfs/dbraw/zinc/00/04/28/861000428.db2.gz ITQZSPKSFNWRDQ-GBXCKJPGSA-N 2 1 381.564 3.627 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000599306069 861026143 /nfs/dbraw/zinc/02/61/43/861026143.db2.gz OXEUJYBIFAFGJD-NRFANRHFSA-N 2 1 385.939 3.507 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000599306069 861026153 /nfs/dbraw/zinc/02/61/53/861026153.db2.gz OXEUJYBIFAFGJD-NRFANRHFSA-N 2 1 385.939 3.507 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(OCc2cccnc2)c1 ZINC000443982319 863086662 /nfs/dbraw/zinc/08/66/62/863086662.db2.gz PTNUKZGZAXYELO-LJQANCHMSA-N 2 1 383.536 3.881 20 0 GHADMP C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000482555361 863306505 /nfs/dbraw/zinc/30/65/05/863306505.db2.gz QURCWTQBFJIYNK-TZIWHRDSSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000482555361 863306511 /nfs/dbraw/zinc/30/65/11/863306511.db2.gz QURCWTQBFJIYNK-TZIWHRDSSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000482555361 863306518 /nfs/dbraw/zinc/30/65/18/863306518.db2.gz QURCWTQBFJIYNK-TZIWHRDSSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482565542 863323500 /nfs/dbraw/zinc/32/35/00/863323500.db2.gz NQAIOUILGMGRPH-OFVILXPXSA-N 3 1 395.591 3.670 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482565542 863323513 /nfs/dbraw/zinc/32/35/13/863323513.db2.gz NQAIOUILGMGRPH-OFVILXPXSA-N 3 1 395.591 3.670 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000605988015 863328819 /nfs/dbraw/zinc/32/88/19/863328819.db2.gz IOQLEQICLXILQF-NRFANRHFSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000175121041 863706813 /nfs/dbraw/zinc/70/68/13/863706813.db2.gz XHCUMCOUPDMXHA-IBGZPJMESA-N 2 1 397.567 3.846 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000175121041 863706818 /nfs/dbraw/zinc/70/68/18/863706818.db2.gz XHCUMCOUPDMXHA-IBGZPJMESA-N 2 1 397.567 3.846 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000606660084 863751950 /nfs/dbraw/zinc/75/19/50/863751950.db2.gz ONOZXGMXXSEXCD-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606660084 863751960 /nfs/dbraw/zinc/75/19/60/863751960.db2.gz ONOZXGMXXSEXCD-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606660084 863751970 /nfs/dbraw/zinc/75/19/70/863751970.db2.gz ONOZXGMXXSEXCD-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606691031 863782329 /nfs/dbraw/zinc/78/23/29/863782329.db2.gz WDXLXXKQZPDUPW-HSZRJFAPSA-N 2 1 398.595 3.874 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103303305 863948903 /nfs/dbraw/zinc/94/89/03/863948903.db2.gz KDCQNMIXYJNQJL-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)C[C@@H]3C2)cc1 ZINC000898517574 864074625 /nfs/dbraw/zinc/07/46/25/864074625.db2.gz QMGMJIZFFTWWTJ-AFXVXQJMSA-N 2 1 384.564 3.605 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898521344 864086528 /nfs/dbraw/zinc/08/65/28/864086528.db2.gz AOBQKLNSGRXNGP-FUPPJEDESA-N 2 1 387.531 3.862 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000607166562 864129106 /nfs/dbraw/zinc/12/91/06/864129106.db2.gz JSLYEUFRRPDYHH-QLFBSQMISA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000607166562 864129113 /nfs/dbraw/zinc/12/91/13/864129113.db2.gz JSLYEUFRRPDYHH-QLFBSQMISA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000607166562 864129120 /nfs/dbraw/zinc/12/91/20/864129120.db2.gz JSLYEUFRRPDYHH-QLFBSQMISA-N 2 1 375.340 3.538 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000475108958 864189103 /nfs/dbraw/zinc/18/91/03/864189103.db2.gz PKCZEVIBLPJZOK-QFIPXVFZSA-N 2 1 398.595 3.747 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475115368 864238617 /nfs/dbraw/zinc/23/86/17/864238617.db2.gz BOSBAISTDSEAGC-HXUWFJFHSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475115368 864238636 /nfs/dbraw/zinc/23/86/36/864238636.db2.gz BOSBAISTDSEAGC-HXUWFJFHSA-N 2 1 398.595 3.699 20 0 GHADMP CC(C)c1cc(N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)nc(N(C)C)[nH+]1 ZINC000480209059 864268330 /nfs/dbraw/zinc/26/83/30/864268330.db2.gz LEXJXCBVLOHVLL-LJQANCHMSA-N 2 1 382.556 3.552 20 0 GHADMP CC(C)c1cc(N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)nc(N(C)C)[nH+]1 ZINC000480209059 864268337 /nfs/dbraw/zinc/26/83/37/864268337.db2.gz LEXJXCBVLOHVLL-LJQANCHMSA-N 2 1 382.556 3.552 20 0 GHADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000480245149 864310894 /nfs/dbraw/zinc/31/08/94/864310894.db2.gz WKEOYHYIOOBUEM-QAPCUYQASA-N 2 1 385.474 3.595 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000480277631 864407591 /nfs/dbraw/zinc/40/75/91/864407591.db2.gz KZEPRWQHUOOKKM-AVRDEDQJSA-N 2 1 387.568 3.652 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000480277631 864407599 /nfs/dbraw/zinc/40/75/99/864407599.db2.gz KZEPRWQHUOOKKM-AVRDEDQJSA-N 2 1 387.568 3.652 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142586754 864412432 /nfs/dbraw/zinc/41/24/32/864412432.db2.gz KRXKWPZYRZPACR-HSZRJFAPSA-N 2 1 379.548 3.630 20 0 GHADMP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142586754 864412435 /nfs/dbraw/zinc/41/24/35/864412435.db2.gz KRXKWPZYRZPACR-HSZRJFAPSA-N 2 1 379.548 3.630 20 0 GHADMP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142586754 864412436 /nfs/dbraw/zinc/41/24/36/864412436.db2.gz KRXKWPZYRZPACR-HSZRJFAPSA-N 2 1 379.548 3.630 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)N(c1ccccc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC001142588003 864487529 /nfs/dbraw/zinc/48/75/29/864487529.db2.gz KKQFEUADFQWYNG-UHFFFAOYSA-N 2 1 394.563 3.607 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCc3ccccc3C2)c1)C1CCOCC1 ZINC000163949321 864581379 /nfs/dbraw/zinc/58/13/79/864581379.db2.gz PVXNSRSUOCICJA-QHCPKHFHSA-N 2 1 394.559 3.823 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455945766 864647506 /nfs/dbraw/zinc/64/75/06/864647506.db2.gz OUEDDKFPRKFIQK-UHFFFAOYSA-N 2 1 396.963 3.666 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000621981268 864657392 /nfs/dbraw/zinc/65/73/92/864657392.db2.gz KAUZALXVGHJTBB-MISYRCLQSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1cccs1 ZINC000621981268 864657399 /nfs/dbraw/zinc/65/73/99/864657399.db2.gz KAUZALXVGHJTBB-MISYRCLQSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1cccs1 ZINC000621981268 864657407 /nfs/dbraw/zinc/65/74/07/864657407.db2.gz KAUZALXVGHJTBB-MISYRCLQSA-N 2 1 383.561 3.664 20 0 GHADMP Cc1ccccc1C1CC([N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)C1 ZINC000607747195 864672330 /nfs/dbraw/zinc/67/23/30/864672330.db2.gz WIMHRITWINLGDQ-UHFFFAOYSA-N 2 1 383.580 3.694 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475342498 864817765 /nfs/dbraw/zinc/81/77/65/864817765.db2.gz KHQCDEZDCWSDSC-AOUGCYQESA-N 2 1 395.513 3.902 20 0 GHADMP COCCCOc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475344673 864819777 /nfs/dbraw/zinc/81/97/77/864819777.db2.gz YSMIKFVFDKGGLS-ZRZAMGCNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475344673 864819796 /nfs/dbraw/zinc/81/97/96/864819796.db2.gz YSMIKFVFDKGGLS-ZRZAMGCNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475344673 864819812 /nfs/dbraw/zinc/81/98/12/864819812.db2.gz YSMIKFVFDKGGLS-ZRZAMGCNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCCOc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475344673 864819829 /nfs/dbraw/zinc/81/98/29/864819829.db2.gz YSMIKFVFDKGGLS-ZRZAMGCNSA-N 2 1 380.532 3.666 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000480558791 864860810 /nfs/dbraw/zinc/86/08/10/864860810.db2.gz SSWGUHXRFKZYLM-QPPBQGQZSA-N 2 1 388.559 3.974 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CCC4(CCCC4)O3)CC2)CC1 ZINC000554820741 864955300 /nfs/dbraw/zinc/95/53/00/864955300.db2.gz WEWWFTZSHBFMEH-JOCHJYFZSA-N 2 1 377.617 3.606 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000554820741 864955310 /nfs/dbraw/zinc/95/53/10/864955310.db2.gz WEWWFTZSHBFMEH-JOCHJYFZSA-N 3 1 377.617 3.606 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000554820741 864955320 /nfs/dbraw/zinc/95/53/20/864955320.db2.gz WEWWFTZSHBFMEH-JOCHJYFZSA-N 3 1 377.617 3.606 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608164750 865036359 /nfs/dbraw/zinc/03/63/59/865036359.db2.gz FMBJZQUUMGZJNR-NHCUHLMSSA-N 2 1 385.939 3.676 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608164750 865036365 /nfs/dbraw/zinc/03/63/65/865036365.db2.gz FMBJZQUUMGZJNR-NHCUHLMSSA-N 2 1 385.939 3.676 20 0 GHADMP O=C(Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000899048665 865182596 /nfs/dbraw/zinc/18/25/96/865182596.db2.gz CCPLYLLIJSKBJR-UHFFFAOYSA-N 2 1 397.910 3.559 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3N(C)C)cc2)CC1 ZINC000480728922 865183783 /nfs/dbraw/zinc/18/37/83/865183783.db2.gz MMLRDWRGUNHPGU-IBGZPJMESA-N 2 1 398.570 3.880 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000480780205 865256254 /nfs/dbraw/zinc/25/62/54/865256254.db2.gz MUENGDORXWHYJV-YADARESESA-N 2 1 379.548 3.746 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(OC)c1 ZINC000480796073 865288256 /nfs/dbraw/zinc/28/82/56/865288256.db2.gz MEIXQSIKDWQXOK-XXBNENTESA-N 2 1 397.563 3.733 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000501492813 865294092 /nfs/dbraw/zinc/29/40/92/865294092.db2.gz XFFOUHPENMQYAM-PEZBUJJGSA-N 2 1 397.485 3.641 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)C[C@H]3C(C)C)c2c1C ZINC000301371961 865317954 /nfs/dbraw/zinc/31/79/54/865317954.db2.gz QNSYYSZSIVVYRK-KRWDZBQOSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)C[C@H]3C(C)C)c2c1C ZINC000301371961 865317969 /nfs/dbraw/zinc/31/79/69/865317969.db2.gz QNSYYSZSIVVYRK-KRWDZBQOSA-N 2 1 387.597 3.680 20 0 GHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000480898317 865481702 /nfs/dbraw/zinc/48/17/02/865481702.db2.gz MMKVVJPXORDNNS-KOSHJBKYSA-N 2 1 381.539 3.986 20 0 GHADMP C[NH+](CCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C1CCCCC1 ZINC000608634568 865554224 /nfs/dbraw/zinc/55/42/24/865554224.db2.gz KZZCUTBJRYXCRG-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000608634568 865554227 /nfs/dbraw/zinc/55/42/27/865554227.db2.gz KZZCUTBJRYXCRG-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000608634568 865554231 /nfs/dbraw/zinc/55/42/31/865554231.db2.gz KZZCUTBJRYXCRG-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000481164775 865905793 /nfs/dbraw/zinc/90/57/93/865905793.db2.gz ADFMWJJFIBIAEH-MAUKXSAKSA-N 2 1 391.968 3.518 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000481164775 865905805 /nfs/dbraw/zinc/90/58/05/865905805.db2.gz ADFMWJJFIBIAEH-MAUKXSAKSA-N 2 1 391.968 3.518 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000174453083 865908863 /nfs/dbraw/zinc/90/88/63/865908863.db2.gz ACJOWTLPCHGVFT-UHFFFAOYSA-N 2 1 376.298 3.800 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481178688 865936347 /nfs/dbraw/zinc/93/63/47/865936347.db2.gz SVVQLGWKSZRTJK-AVRDEDQJSA-N 2 1 381.520 3.524 20 0 GHADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481185917 865953600 /nfs/dbraw/zinc/95/36/00/865953600.db2.gz VLGZBQZCVLVSCE-RDPSFJRHSA-N 2 1 393.575 3.708 20 0 GHADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481185917 865953609 /nfs/dbraw/zinc/95/36/09/865953609.db2.gz VLGZBQZCVLVSCE-RDPSFJRHSA-N 2 1 393.575 3.708 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000481172309 865957042 /nfs/dbraw/zinc/95/70/42/865957042.db2.gz GKZDDOJGSPCKDC-FDDCHVKYSA-N 2 1 395.547 3.579 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000481172309 865957054 /nfs/dbraw/zinc/95/70/54/865957054.db2.gz GKZDDOJGSPCKDC-FDDCHVKYSA-N 2 1 395.547 3.579 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000175840354 866043225 /nfs/dbraw/zinc/04/32/25/866043225.db2.gz UXAJSNPMXAGHCV-SFHVURJKSA-N 2 1 395.551 3.902 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000175840354 866043240 /nfs/dbraw/zinc/04/32/40/866043240.db2.gz UXAJSNPMXAGHCV-SFHVURJKSA-N 2 1 395.551 3.902 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534096803 866125369 /nfs/dbraw/zinc/12/53/69/866125369.db2.gz LBJVVJFFTAFQDZ-PMACEKPBSA-N 2 1 392.975 3.697 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534096803 866125373 /nfs/dbraw/zinc/12/53/73/866125373.db2.gz LBJVVJFFTAFQDZ-PMACEKPBSA-N 2 1 392.975 3.697 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000303912909 866400641 /nfs/dbraw/zinc/40/06/41/866400641.db2.gz XJVNIBBZEMNWOI-JOCHJYFZSA-N 2 1 378.520 3.834 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000303912909 866400651 /nfs/dbraw/zinc/40/06/51/866400651.db2.gz XJVNIBBZEMNWOI-JOCHJYFZSA-N 2 1 378.520 3.834 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cc(C)sc3C)CC2)CC1 ZINC000552967484 866539531 /nfs/dbraw/zinc/53/95/31/866539531.db2.gz TYXCDDQERWIRFS-MRXNPFEDSA-N 2 1 377.598 3.738 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857076854 881991156 /nfs/dbraw/zinc/99/11/56/881991156.db2.gz YDJSLNVPCDTLRZ-SFTDATJTSA-N 2 1 383.536 3.902 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000534347168 866593232 /nfs/dbraw/zinc/59/32/32/866593232.db2.gz OLBPBWWLIDQEHQ-UHFFFAOYSA-N 2 1 388.508 3.780 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c2cccs2)CC1 ZINC000534352396 866602578 /nfs/dbraw/zinc/60/25/78/866602578.db2.gz JCPGHFOTEUVUFE-CEMLEFRQSA-N 2 1 399.604 3.794 20 0 GHADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000478806781 866679555 /nfs/dbraw/zinc/67/95/55/866679555.db2.gz NTFBIVRWPOAOGV-QTEQDKRBSA-N 2 1 398.595 3.829 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857092810 882005924 /nfs/dbraw/zinc/00/59/24/882005924.db2.gz QWJLHFYYWKGRFV-HSZRJFAPSA-N 2 1 379.548 3.830 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000478834592 866728425 /nfs/dbraw/zinc/72/84/25/866728425.db2.gz ONVCXXYOBZBPDN-VIZSFHNOSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553143618 866873409 /nfs/dbraw/zinc/87/34/09/866873409.db2.gz QCHHXGPHKKCSJP-QPPBQGQZSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553143618 866873418 /nfs/dbraw/zinc/87/34/18/866873418.db2.gz QCHHXGPHKKCSJP-QPPBQGQZSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553143618 866873438 /nfs/dbraw/zinc/87/34/38/866873438.db2.gz QCHHXGPHKKCSJP-QPPBQGQZSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000444588650 866909764 /nfs/dbraw/zinc/90/97/64/866909764.db2.gz FMKDVEPURQONFX-UTKZUKDTSA-N 2 1 395.551 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000444588650 866909774 /nfs/dbraw/zinc/90/97/74/866909774.db2.gz FMKDVEPURQONFX-UTKZUKDTSA-N 2 1 395.551 3.805 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cc(Br)ccc21 ZINC000479071469 867092889 /nfs/dbraw/zinc/09/28/89/867092889.db2.gz TWJXUDKPVUSLOE-QFBILLFUSA-N 2 1 395.385 3.998 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CC1 ZINC000553327475 867188307 /nfs/dbraw/zinc/18/83/07/867188307.db2.gz BAISTROZUXOHPD-IAGOWNOFSA-N 2 1 391.522 3.524 20 0 GHADMP C[NH+](Cc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1)C1CCCCC1 ZINC000154024111 867211439 /nfs/dbraw/zinc/21/14/39/867211439.db2.gz KZNPSXQJBONKPP-LJQANCHMSA-N 2 1 375.582 3.827 20 0 GHADMP C[NH+](Cc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCSC1)C1CCCCC1 ZINC000154024111 867211458 /nfs/dbraw/zinc/21/14/58/867211458.db2.gz KZNPSXQJBONKPP-LJQANCHMSA-N 2 1 375.582 3.827 20 0 GHADMP C[NH+](CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCSC1 ZINC000154024111 867211476 /nfs/dbraw/zinc/21/14/76/867211476.db2.gz KZNPSXQJBONKPP-LJQANCHMSA-N 2 1 375.582 3.827 20 0 GHADMP C[NH+](CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCSC1 ZINC000154024111 867211487 /nfs/dbraw/zinc/21/14/87/867211487.db2.gz KZNPSXQJBONKPP-LJQANCHMSA-N 2 1 375.582 3.827 20 0 GHADMP COc1ccc(-c2nc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000620756982 867275475 /nfs/dbraw/zinc/27/54/75/867275475.db2.gz PPXYTNCKFUOZHI-CALCHBBNSA-N 2 1 389.565 3.798 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000523594346 867571670 /nfs/dbraw/zinc/57/16/70/867571670.db2.gz KJJGOMQNMHFPTI-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534820674 867577429 /nfs/dbraw/zinc/57/74/29/867577429.db2.gz MIQWJCUKVMLOMA-PMACEKPBSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534820674 867577448 /nfs/dbraw/zinc/57/74/48/867577448.db2.gz MIQWJCUKVMLOMA-PMACEKPBSA-N 2 1 392.975 3.506 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cc(Br)ccc21 ZINC000479358619 867604202 /nfs/dbraw/zinc/60/42/02/867604202.db2.gz JPDVSLLQDKKZOW-GOSISDBHSA-N 2 1 381.358 3.608 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479334074 867608678 /nfs/dbraw/zinc/60/86/78/867608678.db2.gz XRTNSRMPSFGRIW-HXUWFJFHSA-N 2 1 394.401 3.834 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1 ZINC000183742051 867628864 /nfs/dbraw/zinc/62/88/64/867628864.db2.gz TYISOZXENDBKHM-INIZCTEOSA-N 2 1 376.460 3.988 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000190188740 882116003 /nfs/dbraw/zinc/11/60/03/882116003.db2.gz GWOAQKUKXPIVCR-QUCCMNQESA-N 2 1 392.613 3.648 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479421651 867715601 /nfs/dbraw/zinc/71/56/01/867715601.db2.gz RMAMOVLLLVIIET-FQEVSTJZSA-N 2 1 392.632 3.793 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479451735 867782061 /nfs/dbraw/zinc/78/20/61/867782061.db2.gz XUZBOFGZGQZTCS-PXNSSMCTSA-N 2 1 381.520 3.826 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479451735 867782071 /nfs/dbraw/zinc/78/20/71/867782071.db2.gz XUZBOFGZGQZTCS-PXNSSMCTSA-N 2 1 381.520 3.826 20 0 GHADMP c1cc(-c2noc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n2)co1 ZINC000534966086 867840598 /nfs/dbraw/zinc/84/05/98/867840598.db2.gz BXYKRDLPJZIGBO-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP c1cc(-c2noc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)n2)co1 ZINC000534966086 867840614 /nfs/dbraw/zinc/84/06/14/867840614.db2.gz BXYKRDLPJZIGBO-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479515405 867940828 /nfs/dbraw/zinc/94/08/28/867940828.db2.gz MHSXBFAWOZMKHB-FQEVSTJZSA-N 2 1 392.632 3.795 20 0 GHADMP Cc1oc2ccccc2c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000155899134 868173378 /nfs/dbraw/zinc/17/33/78/868173378.db2.gz XNROYFZWHDTFKN-FQEVSTJZSA-N 2 1 391.515 3.728 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000553804820 868254632 /nfs/dbraw/zinc/25/46/32/868254632.db2.gz OSQBMFIMVBTCBN-QTEQDKRBSA-N 2 1 398.595 3.829 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000553804823 868254951 /nfs/dbraw/zinc/25/49/51/868254951.db2.gz OSQBMFIMVBTCBN-TXTKFYIRSA-N 2 1 398.595 3.829 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccc(C)cc1 ZINC000553832655 868327993 /nfs/dbraw/zinc/32/79/93/868327993.db2.gz QPVBNXUZSDFSOQ-UHFFFAOYSA-N 2 1 393.575 3.906 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(Cl)c1F ZINC000554050336 868650845 /nfs/dbraw/zinc/65/08/45/868650845.db2.gz JKJLFJMBLPWTLG-LJQANCHMSA-N 2 1 380.891 3.897 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cs1 ZINC000121791937 882220075 /nfs/dbraw/zinc/22/00/75/882220075.db2.gz GXJWKGUNSNFRCX-TYPHKJRUSA-N 2 1 389.609 3.855 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000479931204 868742772 /nfs/dbraw/zinc/74/27/72/868742772.db2.gz PDTDAIQOJNFHMU-LJQANCHMSA-N 2 1 376.504 3.555 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000157917894 868801146 /nfs/dbraw/zinc/80/11/46/868801146.db2.gz RUZUEVYHYDYIBT-FQEVSTJZSA-N 2 1 399.539 3.530 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121907300 882305781 /nfs/dbraw/zinc/30/57/81/882305781.db2.gz LPLUOJPHFKRPNV-HXUWFJFHSA-N 2 1 379.976 3.869 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1 ZINC000539658024 869543774 /nfs/dbraw/zinc/54/37/74/869543774.db2.gz KMDHMZOCRBWOGD-VGOFRKELSA-N 2 1 390.535 3.889 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1)Cc1ccccc1 ZINC000190966966 882324116 /nfs/dbraw/zinc/32/41/16/882324116.db2.gz AXQAXNKZGUXYTJ-QHCPKHFHSA-N 2 1 385.596 3.618 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000524856851 869655408 /nfs/dbraw/zinc/65/54/08/869655408.db2.gz RPZFQYNESLLBIL-QGZVFWFLSA-N 2 1 387.355 3.873 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000524856850 869655631 /nfs/dbraw/zinc/65/56/31/869655631.db2.gz RPZFQYNESLLBIL-KRWDZBQOSA-N 2 1 387.355 3.873 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000646533937 869983864 /nfs/dbraw/zinc/98/38/64/869983864.db2.gz WMZGFRYSVHUDIN-HKUYNNGSSA-N 2 1 390.597 3.869 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000462750547 870019460 /nfs/dbraw/zinc/01/94/60/870019460.db2.gz PKHQSUQYNBYRLA-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(-n2cnnn2)c1 ZINC000669851627 870042901 /nfs/dbraw/zinc/04/29/01/870042901.db2.gz KPKSYILUXPTNNH-XMSQKQJNSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(-n2cnnn2)c1 ZINC000669851627 870042916 /nfs/dbraw/zinc/04/29/16/870042916.db2.gz KPKSYILUXPTNNH-XMSQKQJNSA-N 2 1 390.535 3.614 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NCc2ccc(F)cc2)CC1)CC1CC1 ZINC000540046496 870251879 /nfs/dbraw/zinc/25/18/79/870251879.db2.gz FNLILRNVCDDCDK-GOSISDBHSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)s1 ZINC000248124395 870292157 /nfs/dbraw/zinc/29/21/57/870292157.db2.gz NTJQACZLIAMLDA-RHSMWYFYSA-N 2 1 391.968 3.950 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000248140113 870298979 /nfs/dbraw/zinc/29/89/79/870298979.db2.gz PMYWTWSVEBVNGB-HUVFLSCGSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000248140113 870298999 /nfs/dbraw/zinc/29/89/99/870298999.db2.gz PMYWTWSVEBVNGB-HUVFLSCGSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000248140113 870299019 /nfs/dbraw/zinc/29/90/19/870299019.db2.gz PMYWTWSVEBVNGB-HUVFLSCGSA-N 2 1 384.612 3.926 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248392868 870363566 /nfs/dbraw/zinc/36/35/66/870363566.db2.gz DKXMGSYVPHYRFY-IVAOSVALSA-N 2 1 395.513 3.761 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C(F)(F)F)n1 ZINC000248402304 870375945 /nfs/dbraw/zinc/37/59/45/870375945.db2.gz NBPZRMOEGDTVAL-QXAKKESOSA-N 2 1 392.469 3.829 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248408632 870385875 /nfs/dbraw/zinc/38/58/75/870385875.db2.gz VSPDXQWMNLIPPO-XMGTWHOFSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408632 870385898 /nfs/dbraw/zinc/38/58/98/870385898.db2.gz VSPDXQWMNLIPPO-XMGTWHOFSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408632 870385919 /nfs/dbraw/zinc/38/59/19/870385919.db2.gz VSPDXQWMNLIPPO-XMGTWHOFSA-N 2 1 398.595 3.602 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000122041325 882403110 /nfs/dbraw/zinc/40/31/10/882403110.db2.gz KFADZRQPNIYJHV-GOSISDBHSA-N 2 1 393.547 3.532 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000122041325 882403118 /nfs/dbraw/zinc/40/31/18/882403118.db2.gz KFADZRQPNIYJHV-GOSISDBHSA-N 2 1 393.547 3.532 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)[C@H](C)C1 ZINC000248423553 870405089 /nfs/dbraw/zinc/40/50/89/870405089.db2.gz ZGHXWXKIHNFFRT-OYHORMKUSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H](C)C1 ZINC000248423553 870405099 /nfs/dbraw/zinc/40/50/99/870405099.db2.gz ZGHXWXKIHNFFRT-OYHORMKUSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H](C)C1 ZINC000248423553 870405112 /nfs/dbraw/zinc/40/51/12/870405112.db2.gz ZGHXWXKIHNFFRT-OYHORMKUSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)[C@H](C)C1 ZINC000248423553 870405122 /nfs/dbraw/zinc/40/51/22/870405122.db2.gz ZGHXWXKIHNFFRT-OYHORMKUSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)[C@H](C)C1 ZINC000248423553 870405157 /nfs/dbraw/zinc/40/51/57/870405157.db2.gz ZGHXWXKIHNFFRT-OYHORMKUSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H](C)C1 ZINC000248423553 870405176 /nfs/dbraw/zinc/40/51/76/870405176.db2.gz ZGHXWXKIHNFFRT-OYHORMKUSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H](C)C1 ZINC000248423553 870405196 /nfs/dbraw/zinc/40/51/96/870405196.db2.gz ZGHXWXKIHNFFRT-OYHORMKUSA-N 3 1 399.623 3.624 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000248449967 870430060 /nfs/dbraw/zinc/43/00/60/870430060.db2.gz OWCBQJGPQCREPF-FOIQADDNSA-N 2 1 389.337 3.867 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248606971 870531991 /nfs/dbraw/zinc/53/19/91/870531991.db2.gz WMTIPPRSEBRVCZ-BXWFABGCSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248606971 870531999 /nfs/dbraw/zinc/53/19/99/870531999.db2.gz WMTIPPRSEBRVCZ-BXWFABGCSA-N 2 1 375.944 3.688 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)ncn1 ZINC000540174528 870663916 /nfs/dbraw/zinc/66/39/16/870663916.db2.gz FBFFLAUVFSFARI-WTIAFYNJSA-N 2 1 393.579 3.508 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)ncn1 ZINC000540174528 870663925 /nfs/dbraw/zinc/66/39/25/870663925.db2.gz FBFFLAUVFSFARI-WTIAFYNJSA-N 2 1 393.579 3.508 20 0 GHADMP CC(C)C1CCC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000236594181 882440503 /nfs/dbraw/zinc/44/05/03/882440503.db2.gz LIQWSBLLEFDJQF-UHFFFAOYSA-N 2 1 387.568 3.652 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000448473784 870751704 /nfs/dbraw/zinc/75/17/04/870751704.db2.gz UBLDZTTZVFPRBK-YPAWHYETSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000448473784 870751721 /nfs/dbraw/zinc/75/17/21/870751721.db2.gz UBLDZTTZVFPRBK-YPAWHYETSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000448473784 870751726 /nfs/dbraw/zinc/75/17/26/870751726.db2.gz UBLDZTTZVFPRBK-YPAWHYETSA-N 2 1 392.632 3.650 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000249409321 870823812 /nfs/dbraw/zinc/82/38/12/870823812.db2.gz DXBAKJKBWOJOSO-SUMDDJOVSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000249409321 870823822 /nfs/dbraw/zinc/82/38/22/870823822.db2.gz DXBAKJKBWOJOSO-SUMDDJOVSA-N 2 1 395.975 3.702 20 0 GHADMP Cc1sc2nc(C)nc(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2c1C ZINC000463071350 870829450 /nfs/dbraw/zinc/82/94/50/870829450.db2.gz LOWCMJKATNMSEF-UHFFFAOYSA-N 2 1 387.597 3.979 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000463076214 870847491 /nfs/dbraw/zinc/84/74/91/870847491.db2.gz ILWGNFKYIYLDFB-QFIPXVFZSA-N 2 1 397.611 3.617 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022991 870850692 /nfs/dbraw/zinc/85/06/92/870850692.db2.gz YIEUNBCNRAANBX-BJKOFHAPSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022991 870850703 /nfs/dbraw/zinc/85/07/03/870850703.db2.gz YIEUNBCNRAANBX-BJKOFHAPSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022991 870850717 /nfs/dbraw/zinc/85/07/17/870850717.db2.gz YIEUNBCNRAANBX-BJKOFHAPSA-N 2 1 391.559 3.599 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022991 870850729 /nfs/dbraw/zinc/85/07/29/870850729.db2.gz YIEUNBCNRAANBX-BJKOFHAPSA-N 2 1 391.559 3.599 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OCCO ZINC000463077991 870851917 /nfs/dbraw/zinc/85/19/17/870851917.db2.gz MWJXNPLWFXDVKP-IPJJNNNSSA-N 2 1 398.547 3.770 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OCCO ZINC000463077991 870851925 /nfs/dbraw/zinc/85/19/25/870851925.db2.gz MWJXNPLWFXDVKP-IPJJNNNSSA-N 2 1 398.547 3.770 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000463105907 870896666 /nfs/dbraw/zinc/89/66/66/870896666.db2.gz MMRVOQFECVXBSE-ZEQRLZLVSA-N 2 1 391.559 3.503 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000463105905 870896753 /nfs/dbraw/zinc/89/67/53/870896753.db2.gz MMRVOQFECVXBSE-BJKOFHAPSA-N 2 1 391.559 3.503 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000249796955 870911488 /nfs/dbraw/zinc/91/14/88/870911488.db2.gz APCZRBABVJCTPV-RTBURBONSA-N 2 1 389.584 3.705 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1NC(C)=O ZINC000463113824 870914446 /nfs/dbraw/zinc/91/44/46/870914446.db2.gz DQNFOHSSFRYVCV-LAUBAEHRSA-N 2 1 381.520 3.796 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1NC(C)=O ZINC000463113824 870914450 /nfs/dbraw/zinc/91/44/50/870914450.db2.gz DQNFOHSSFRYVCV-LAUBAEHRSA-N 2 1 381.520 3.796 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000463116572 870953388 /nfs/dbraw/zinc/95/33/88/870953388.db2.gz CVVBLFCPODRZQZ-WWPVKYPJSA-N 2 1 384.568 3.699 20 0 GHADMP COc1ccc(CN2CC[C@@H]([N@@H+](C3CCCC3)C3CCN(C)CC3)CC2=O)cc1 ZINC001168959212 871058639 /nfs/dbraw/zinc/05/86/39/871058639.db2.gz USSONLPESBMRJD-JOCHJYFZSA-N 2 1 399.579 3.525 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001169101254 871175638 /nfs/dbraw/zinc/17/56/38/871175638.db2.gz PWIPYXOLKXJAPX-WOZUAGRISA-N 2 1 385.552 3.563 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3C(F)(F)F)CCOCC1)C2 ZINC001169117391 871206230 /nfs/dbraw/zinc/20/62/30/871206230.db2.gz ZWJNMOLLBOFKBT-OSYLJGHBSA-N 2 1 382.470 3.968 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131662 871222084 /nfs/dbraw/zinc/22/20/84/871222084.db2.gz XKKTUAJGUJZBHD-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131662 871222119 /nfs/dbraw/zinc/22/21/19/871222119.db2.gz XKKTUAJGUJZBHD-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131662 871222169 /nfs/dbraw/zinc/22/21/69/871222169.db2.gz XKKTUAJGUJZBHD-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001169114980 871235766 /nfs/dbraw/zinc/23/57/66/871235766.db2.gz FWILPPRGGVEGMU-BCDXTJNWSA-N 2 1 379.342 3.670 20 0 GHADMP C[C@H]1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241641 871241163 /nfs/dbraw/zinc/24/11/63/871241163.db2.gz CWWVZCUOKAOLEC-WNXIRNOKSA-N 2 1 391.559 3.819 20 0 GHADMP C[C@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241641 871241175 /nfs/dbraw/zinc/24/11/75/871241175.db2.gz CWWVZCUOKAOLEC-WNXIRNOKSA-N 2 1 391.559 3.819 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(CC3CC3)CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169115527 871248514 /nfs/dbraw/zinc/24/85/14/871248514.db2.gz KMDIIMBHMPFWHL-LDLYASANSA-N 2 1 377.573 3.771 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000525709641 871267758 /nfs/dbraw/zinc/26/77/58/871267758.db2.gz WUKWEKRXMFVDQE-JQWIXIFHSA-N 2 1 393.272 3.631 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000525709641 871267776 /nfs/dbraw/zinc/26/77/76/871267776.db2.gz WUKWEKRXMFVDQE-JQWIXIFHSA-N 2 1 393.272 3.631 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169154388 871268059 /nfs/dbraw/zinc/26/80/59/871268059.db2.gz PLRLSWPFKDWIJZ-BCDXTJNWSA-N 2 1 378.358 3.505 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169154388 871268069 /nfs/dbraw/zinc/26/80/69/871268069.db2.gz PLRLSWPFKDWIJZ-BCDXTJNWSA-N 2 1 378.358 3.505 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cn2)CC1 ZINC000069708112 871429940 /nfs/dbraw/zinc/42/99/40/871429940.db2.gz BFTCWKFLSICZFK-UHFFFAOYSA-N 2 1 396.507 3.562 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1)CC(C)C ZINC000539173413 871462535 /nfs/dbraw/zinc/46/25/35/871462535.db2.gz RJOFOMKOZGRVSB-UHFFFAOYSA-N 2 1 394.648 3.896 20 0 GHADMP CCc1ccc([C@H]2CCC[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001194116547 871486211 /nfs/dbraw/zinc/48/62/11/871486211.db2.gz RXPHUFUNLYMXHS-BJKOFHAPSA-N 2 1 393.575 3.848 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1 ZINC000122344856 882515278 /nfs/dbraw/zinc/51/52/78/882515278.db2.gz XHKQXTAQCSUSRM-SFHVURJKSA-N 3 1 378.520 3.972 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)o1 ZINC000618413620 871587597 /nfs/dbraw/zinc/58/75/97/871587597.db2.gz BVMBTODJYNYQRM-UHFFFAOYSA-N 2 1 375.557 3.850 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000775604237 871783509 /nfs/dbraw/zinc/78/35/09/871783509.db2.gz LYSJUNKBIOENDL-HSZRJFAPSA-N 2 1 379.548 3.761 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169703539 871785652 /nfs/dbraw/zinc/78/56/52/871785652.db2.gz MECNCULRKQFCPY-GGAORHGYSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169703539 871785668 /nfs/dbraw/zinc/78/56/68/871785668.db2.gz MECNCULRKQFCPY-GGAORHGYSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169703539 871785680 /nfs/dbraw/zinc/78/56/80/871785680.db2.gz MECNCULRKQFCPY-GGAORHGYSA-N 2 1 385.552 3.595 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000122361238 882560174 /nfs/dbraw/zinc/56/01/74/882560174.db2.gz QDZHGCUPEKUSPI-INIZCTEOSA-N 2 1 399.926 3.712 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@H]2CCC[C@H]21 ZINC000552063987 871962570 /nfs/dbraw/zinc/96/25/70/871962570.db2.gz UKHAJLKSMUXMBC-CEXWTWQISA-N 2 1 389.341 3.597 20 0 GHADMP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2I)CCC[C@@H]1C[NH3+] ZINC001206025271 872020048 /nfs/dbraw/zinc/02/00/48/872020048.db2.gz MYOONXQFZLYPIJ-NWDGAFQWSA-N 2 1 392.712 3.751 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477949710 872189144 /nfs/dbraw/zinc/18/91/44/872189144.db2.gz MWYLBTBHXDMXPL-UHFFFAOYSA-N 2 1 391.559 3.681 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@@H](C)C1 ZINC000447732820 872218491 /nfs/dbraw/zinc/21/84/91/872218491.db2.gz YCHVEUTVTNUBNB-PGRDOPGGSA-N 2 1 383.536 3.831 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@@H](C)C1 ZINC000447732820 872218507 /nfs/dbraw/zinc/21/85/07/872218507.db2.gz YCHVEUTVTNUBNB-PGRDOPGGSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@@H](C)C1 ZINC000447732820 872218520 /nfs/dbraw/zinc/21/85/20/872218520.db2.gz YCHVEUTVTNUBNB-PGRDOPGGSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@@H](C)C1 ZINC000447732820 872218533 /nfs/dbraw/zinc/21/85/33/872218533.db2.gz YCHVEUTVTNUBNB-PGRDOPGGSA-N 2 1 383.536 3.831 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)n1 ZINC000093597153 872286042 /nfs/dbraw/zinc/28/60/42/872286042.db2.gz UFFRZVIVLNOTPK-QGZVFWFLSA-N 2 1 378.442 3.809 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C3CCCC3)C2)CC1 ZINC001195307491 872327654 /nfs/dbraw/zinc/32/76/54/872327654.db2.gz ROCLCXCQLFROSB-JOCHJYFZSA-N 2 1 383.580 3.588 20 0 GHADMP CCOc1c(Cl)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1OC ZINC000552392341 872556557 /nfs/dbraw/zinc/55/65/57/872556557.db2.gz PDLFLVIJHPYKQK-JWTNVVGKSA-N 2 1 396.959 3.821 20 0 GHADMP CCOc1c(Cl)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1OC ZINC000552392341 872556567 /nfs/dbraw/zinc/55/65/67/872556567.db2.gz PDLFLVIJHPYKQK-JWTNVVGKSA-N 2 1 396.959 3.821 20 0 GHADMP CCOc1c(Cl)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1OC ZINC000552392341 872556577 /nfs/dbraw/zinc/55/65/77/872556577.db2.gz PDLFLVIJHPYKQK-JWTNVVGKSA-N 2 1 396.959 3.821 20 0 GHADMP CCOc1c(Cl)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OC ZINC000552392341 872556592 /nfs/dbraw/zinc/55/65/92/872556592.db2.gz PDLFLVIJHPYKQK-JWTNVVGKSA-N 2 1 396.959 3.821 20 0 GHADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(C)(C)C ZINC000463900144 872819895 /nfs/dbraw/zinc/81/98/95/872819895.db2.gz ZWZMEWKUGIKOCN-ROUUACIJSA-N 2 1 397.510 3.739 20 0 GHADMP C[NH+](C)CCCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000552554732 872830007 /nfs/dbraw/zinc/83/00/07/872830007.db2.gz RZPURYZUCHQROG-UHFFFAOYSA-N 2 1 399.501 3.860 20 0 GHADMP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000768680422 873452293 /nfs/dbraw/zinc/45/22/93/873452293.db2.gz ZHMBVQNPFIMOAZ-VAMGGRTRSA-N 2 1 397.604 3.503 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197032451 873555037 /nfs/dbraw/zinc/55/50/37/873555037.db2.gz QYOCXFXOOAWSTA-YLJOHRSJSA-N 2 1 377.573 3.581 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197032451 873555042 /nfs/dbraw/zinc/55/50/42/873555042.db2.gz QYOCXFXOOAWSTA-YLJOHRSJSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197032451 873555046 /nfs/dbraw/zinc/55/50/46/873555046.db2.gz QYOCXFXOOAWSTA-YLJOHRSJSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197032451 873555055 /nfs/dbraw/zinc/55/50/55/873555055.db2.gz QYOCXFXOOAWSTA-YLJOHRSJSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000448551156 873564632 /nfs/dbraw/zinc/56/46/32/873564632.db2.gz GLMHHLRHJGCTTO-WBMJQRKESA-N 2 1 395.391 3.765 20 0 GHADMP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000448551156 873564635 /nfs/dbraw/zinc/56/46/35/873564635.db2.gz GLMHHLRHJGCTTO-WBMJQRKESA-N 2 1 395.391 3.765 20 0 GHADMP CC(C)C[N@H+](Cc1cc2c(cc1Br)OCO2)CC1CC[NH+](C)CC1 ZINC001197193423 873644338 /nfs/dbraw/zinc/64/43/38/873644338.db2.gz AMHSIGODGXSXPC-UHFFFAOYSA-N 2 1 397.357 3.978 20 0 GHADMP C[N@@H+](CCOC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000769107440 873814367 /nfs/dbraw/zinc/81/43/67/873814367.db2.gz KZXCGJXHPDRANO-UHFFFAOYSA-N 2 1 384.495 3.713 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000769191554 873844648 /nfs/dbraw/zinc/84/46/48/873844648.db2.gz FKGRDZYXDPDFCB-VXKWHMMOSA-N 2 1 384.612 3.667 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CCCC1 ZINC000528012868 873884672 /nfs/dbraw/zinc/88/46/72/873884672.db2.gz BRFUIPHAWGQUTE-BHDDXSALSA-N 2 1 383.580 3.525 20 0 GHADMP CCOc1cccnc1N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001197798637 874056602 /nfs/dbraw/zinc/05/66/02/874056602.db2.gz OZEUZODQNPBDRN-UHFFFAOYSA-N 2 1 394.563 3.788 20 0 GHADMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cnc1Cl ZINC000769527292 874133972 /nfs/dbraw/zinc/13/39/72/874133972.db2.gz PKKLYSHJPBVQRO-UHFFFAOYSA-N 2 1 378.992 3.672 20 0 GHADMP O=C1OCCCN1C1CC[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001198219227 874278996 /nfs/dbraw/zinc/27/89/96/874278996.db2.gz MVWNWBUDDBZWKQ-UHFFFAOYSA-N 2 1 399.579 3.638 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000528290471 874343258 /nfs/dbraw/zinc/34/32/58/874343258.db2.gz XPLWVORBGADKQB-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528290471 874343272 /nfs/dbraw/zinc/34/32/72/874343272.db2.gz XPLWVORBGADKQB-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528290471 874343285 /nfs/dbraw/zinc/34/32/85/874343285.db2.gz XPLWVORBGADKQB-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000449054115 874428053 /nfs/dbraw/zinc/42/80/53/874428053.db2.gz OAFCCWLRVRCIKA-IBGZPJMESA-N 2 1 394.563 3.694 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000449077355 874458291 /nfs/dbraw/zinc/45/82/91/874458291.db2.gz RJIPJNWLVUKQQK-FQEVSTJZSA-N 2 1 378.564 3.867 20 0 GHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000541881066 874460497 /nfs/dbraw/zinc/46/04/97/874460497.db2.gz DDSCCEHKCBWCLR-UHFFFAOYSA-N 2 1 388.596 3.596 20 0 GHADMP CC(C)[C@@H](C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC000449078644 874462722 /nfs/dbraw/zinc/46/27/22/874462722.db2.gz MGXFJYYFHBMIDR-GHTZIAJQSA-N 2 1 380.598 3.540 20 0 GHADMP Ic1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000449188601 874581308 /nfs/dbraw/zinc/58/13/08/874581308.db2.gz SMVWNRJZMAOBAI-UHFFFAOYSA-N 2 1 384.305 3.788 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000770322292 874597534 /nfs/dbraw/zinc/59/75/34/874597534.db2.gz BZLSSCMUHWJENE-JTHBVZDNSA-N 2 1 386.511 3.854 20 0 GHADMP C[C@H]1CCN(C(=O)NCCCCCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000745781186 874800288 /nfs/dbraw/zinc/80/02/88/874800288.db2.gz YJNORLYUFNEKIQ-NRFANRHFSA-N 2 1 388.600 3.805 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCN(Cc2cccnc2)C(=O)OC(C)(C)C)CC1(C)C ZINC000858125441 882865548 /nfs/dbraw/zinc/86/55/48/882865548.db2.gz FBRKZVCWZFTJIQ-IBGZPJMESA-N 2 1 390.572 3.671 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)cc2)C1 ZINC001199265568 874882786 /nfs/dbraw/zinc/88/27/86/874882786.db2.gz BWRHSWHHFVQXTO-DUXKGJEZSA-N 2 1 376.516 3.642 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)cc1I ZINC001199354581 874920169 /nfs/dbraw/zinc/92/01/69/874920169.db2.gz WDLOJVSPFVHYPI-CVEARBPZSA-N 2 1 384.305 3.624 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000528721497 874959167 /nfs/dbraw/zinc/95/91/67/874959167.db2.gz QDMRAEPLWWLDRC-OAHLLOKOSA-N 2 1 391.475 3.545 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000449502593 874966004 /nfs/dbraw/zinc/96/60/04/874966004.db2.gz OVZAOQFXIHAHDW-QFIPXVFZSA-N 2 1 383.580 3.720 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000449502593 874966006 /nfs/dbraw/zinc/96/60/06/874966006.db2.gz OVZAOQFXIHAHDW-QFIPXVFZSA-N 2 1 383.580 3.720 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000449502593 874966013 /nfs/dbraw/zinc/96/60/13/874966013.db2.gz OVZAOQFXIHAHDW-QFIPXVFZSA-N 2 1 383.580 3.720 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C4CCC4)cc3)C2)CC1 ZINC000449502593 874966019 /nfs/dbraw/zinc/96/60/19/874966019.db2.gz OVZAOQFXIHAHDW-QFIPXVFZSA-N 2 1 383.580 3.720 20 0 GHADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000550932933 882882032 /nfs/dbraw/zinc/88/20/32/882882032.db2.gz YEEUIGAHPUUIRD-NQQOEPQTSA-N 2 1 387.959 3.914 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000465558828 882883581 /nfs/dbraw/zinc/88/35/81/882883581.db2.gz UMZPMPWVJHOFQK-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1OCc1ccccc1 ZINC000449558654 875045953 /nfs/dbraw/zinc/04/59/53/875045953.db2.gz YTOIBTWDQPERAA-SEJPIABJSA-N 2 1 396.531 3.998 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1OCc1ccccc1 ZINC000449558654 875045965 /nfs/dbraw/zinc/04/59/65/875045965.db2.gz YTOIBTWDQPERAA-SEJPIABJSA-N 2 1 396.531 3.998 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC(=O)Nc3cccc(C)c3)CCCC2)CC1 ZINC000542179915 875096100 /nfs/dbraw/zinc/09/61/00/875096100.db2.gz QJKBHDBSWRZCDK-LJQANCHMSA-N 2 1 387.568 3.725 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001199678062 875118459 /nfs/dbraw/zinc/11/84/59/875118459.db2.gz JGYRNAVVNYWUSY-OWCLPIDISA-N 2 1 397.510 3.526 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@H](c4cccs4)C3)sc2C1 ZINC000449623051 875141067 /nfs/dbraw/zinc/14/10/67/875141067.db2.gz KYRABKHWFKVNAX-HOCLYGCPSA-N 2 1 377.579 3.981 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@H](c4cccs4)C3)sc2C1 ZINC000449623051 875141074 /nfs/dbraw/zinc/14/10/74/875141074.db2.gz KYRABKHWFKVNAX-HOCLYGCPSA-N 2 1 377.579 3.981 20 0 GHADMP CN(C(=O)CC1(c2ccccc2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000528896884 875237443 /nfs/dbraw/zinc/23/74/43/875237443.db2.gz SGDXJZWVIKVLRO-DHIUTWEWSA-N 2 1 397.607 3.904 20 0 GHADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475737456 882936016 /nfs/dbraw/zinc/93/60/16/882936016.db2.gz CWZPTUGOGYVLQH-HZPDHXFCSA-N 2 1 377.960 3.507 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475739437 882950652 /nfs/dbraw/zinc/95/06/52/882950652.db2.gz OFIJOUYZWSYUAC-XUZZJYLKSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475739437 882950665 /nfs/dbraw/zinc/95/06/65/882950665.db2.gz OFIJOUYZWSYUAC-XUZZJYLKSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475739437 882950680 /nfs/dbraw/zinc/95/06/80/882950680.db2.gz OFIJOUYZWSYUAC-XUZZJYLKSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475739437 882950698 /nfs/dbraw/zinc/95/06/98/882950698.db2.gz OFIJOUYZWSYUAC-XUZZJYLKSA-N 2 1 398.522 3.554 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001201409616 875689861 /nfs/dbraw/zinc/68/98/61/875689861.db2.gz BVIOLGSMSVUUMR-RBBKRZOGSA-N 2 1 376.585 3.572 20 0 GHADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000529165053 875738378 /nfs/dbraw/zinc/73/83/78/875738378.db2.gz DDDZLZXHWQVUHS-KMDXXIMOSA-N 2 1 397.607 3.868 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000031541273 876262541 /nfs/dbraw/zinc/26/25/41/876262541.db2.gz ATUXIQDINAOWKT-QHCPKHFHSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000173498750 876423157 /nfs/dbraw/zinc/42/31/57/876423157.db2.gz JAKRRYWGTMEJMM-HBFSDRIKSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000173498750 876423168 /nfs/dbraw/zinc/42/31/68/876423168.db2.gz JAKRRYWGTMEJMM-HBFSDRIKSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000173498750 876423184 /nfs/dbraw/zinc/42/31/84/876423184.db2.gz JAKRRYWGTMEJMM-HBFSDRIKSA-N 2 1 392.613 3.695 20 0 GHADMP CC(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108421098 876466936 /nfs/dbraw/zinc/46/69/36/876466936.db2.gz PJFTUUZIZWDPEX-HSZRJFAPSA-N 2 1 379.548 3.797 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000858361813 883049121 /nfs/dbraw/zinc/04/91/21/883049121.db2.gz DLWOKTMXUOUNPO-NSISKUIASA-N 2 1 390.572 3.985 20 0 GHADMP CC(C)(O)[C@@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000450596431 876661809 /nfs/dbraw/zinc/66/18/09/876661809.db2.gz GEXPXDCWFTXDGJ-PMACEKPBSA-N 2 1 394.987 3.811 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000450646997 876707500 /nfs/dbraw/zinc/70/75/00/876707500.db2.gz WHNYLEDROSHRDY-UHFFFAOYSA-N 2 1 387.911 3.870 20 0 GHADMP CCSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000174038519 876791301 /nfs/dbraw/zinc/79/13/01/876791301.db2.gz NXCKQTRKRJULCF-QGZVFWFLSA-N 2 1 395.638 3.637 20 0 GHADMP C[NH+](CC[C@H]1CCCO1)Cc1cc(C[N@@H+](C)CC[C@H]2CCCO2)ccc1F ZINC000450821448 876957520 /nfs/dbraw/zinc/95/75/20/876957520.db2.gz RCOSDBVFIOEYDU-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP C[NH+](CC[C@H]1CCCO1)Cc1ccc(F)c(C[N@H+](C)CC[C@H]2CCCO2)c1 ZINC000450821448 876957524 /nfs/dbraw/zinc/95/75/24/876957524.db2.gz RCOSDBVFIOEYDU-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP C[NH+](CC[C@H]1CCCO1)Cc1ccc(F)c(C[N@@H+](C)CC[C@H]2CCCO2)c1 ZINC000450821448 876957532 /nfs/dbraw/zinc/95/75/32/876957532.db2.gz RCOSDBVFIOEYDU-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OCc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000786967306 877055547 /nfs/dbraw/zinc/05/55/47/877055547.db2.gz UVXKWGOGBZMJNU-PMOQBDJRSA-N 2 1 380.532 3.834 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000152154664 877057963 /nfs/dbraw/zinc/05/79/63/877057963.db2.gz YZZVWZBJLBHKOD-SFHVURJKSA-N 2 1 393.597 3.807 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000152154664 877057977 /nfs/dbraw/zinc/05/79/77/877057977.db2.gz YZZVWZBJLBHKOD-SFHVURJKSA-N 2 1 393.597 3.807 20 0 GHADMP C[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C[NH+]1CCCC1 ZINC000315394769 877252001 /nfs/dbraw/zinc/25/20/01/877252001.db2.gz DSZBMCYRKVUFDE-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000174865742 877297220 /nfs/dbraw/zinc/29/72/20/877297220.db2.gz GXKCQXYCTZFUBH-IBGZPJMESA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216572 877327408 /nfs/dbraw/zinc/32/74/08/877327408.db2.gz BOEPBHCHMCFGSZ-NHYWBVRUSA-N 2 1 389.849 3.950 20 0 GHADMP C[C@@H]([C@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1)[NH+]1CCCC1 ZINC000851133548 877438709 /nfs/dbraw/zinc/43/87/09/877438709.db2.gz DNYLKHAPZJYSDY-UWJYYQICSA-N 2 1 376.460 3.650 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCc1ccc(F)cc1 ZINC000615316353 877632510 /nfs/dbraw/zinc/63/25/10/877632510.db2.gz PBMPWWKIRNRVRF-MOPGFXCFSA-N 2 1 397.538 3.852 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCc1ccc(F)cc1 ZINC000615316354 877632706 /nfs/dbraw/zinc/63/27/06/877632706.db2.gz PBMPWWKIRNRVRF-OALUTQOASA-N 2 1 397.538 3.852 20 0 GHADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000530632490 878202189 /nfs/dbraw/zinc/20/21/89/878202189.db2.gz YZAVOSRLLPBOMY-FQEVSTJZSA-N 2 1 377.492 3.573 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000537776697 878312448 /nfs/dbraw/zinc/31/24/48/878312448.db2.gz JTOQZAHBJSVOMU-LJQANCHMSA-N 2 1 393.019 3.549 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000245660188 878312944 /nfs/dbraw/zinc/31/29/44/878312944.db2.gz FMQBHRVVCXUPJE-KOUNCHBCSA-N 2 1 395.522 3.649 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000788817607 878352821 /nfs/dbraw/zinc/35/28/21/878352821.db2.gz LDEYNJSVJZAVDR-RTBURBONSA-N 2 1 376.545 3.739 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530839588 878585374 /nfs/dbraw/zinc/58/53/74/878585374.db2.gz PLBCBJSKYSXKDP-PXNSSMCTSA-N 2 1 394.991 3.897 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1cccc(C(F)(F)F)c1 ZINC000530826735 878598500 /nfs/dbraw/zinc/59/85/00/878598500.db2.gz GVMHJQSXHVEFHC-QFBILLFUSA-N 2 1 399.501 3.889 20 0 GHADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538044577 878752588 /nfs/dbraw/zinc/75/25/88/878752588.db2.gz HAKZAPFZKPJNDN-KURKYZTESA-N 2 1 380.960 3.991 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCc3c(F)cccc3Cl)CC2)C[C@H](C)O1 ZINC000538045485 878753976 /nfs/dbraw/zinc/75/39/76/878753976.db2.gz NSPGONHOMXCRDR-IRXDYDNUSA-N 2 1 398.950 3.612 20 0 GHADMP COc1ccc([C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000538060949 878783448 /nfs/dbraw/zinc/78/34/48/878783448.db2.gz VMWLXIPLGZCXEN-RBBKRZOGSA-N 2 1 385.577 3.786 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000177867279 878895893 /nfs/dbraw/zinc/89/58/93/878895893.db2.gz FJRVKBUKSQVVEN-QFIPXVFZSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000538231872 879086769 /nfs/dbraw/zinc/08/67/69/879086769.db2.gz XZBQLOROIZMTJT-SFHVURJKSA-N 2 1 377.532 3.709 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000538231872 879086780 /nfs/dbraw/zinc/08/67/80/879086780.db2.gz XZBQLOROIZMTJT-SFHVURJKSA-N 2 1 377.532 3.709 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+]1CCc2ccccc2C1 ZINC000538231872 879086789 /nfs/dbraw/zinc/08/67/89/879086789.db2.gz XZBQLOROIZMTJT-SFHVURJKSA-N 2 1 377.532 3.709 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1CCc2ccccc2C1 ZINC000538231872 879086799 /nfs/dbraw/zinc/08/67/99/879086799.db2.gz XZBQLOROIZMTJT-SFHVURJKSA-N 2 1 377.532 3.709 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000246339333 879423257 /nfs/dbraw/zinc/42/32/57/879423257.db2.gz ISZDQHSYACMODD-VSKRKVRLSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246339333 879423269 /nfs/dbraw/zinc/42/32/69/879423269.db2.gz ISZDQHSYACMODD-VSKRKVRLSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246339333 879423274 /nfs/dbraw/zinc/42/32/74/879423274.db2.gz ISZDQHSYACMODD-VSKRKVRLSA-N 2 1 392.632 3.937 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246344975 879434917 /nfs/dbraw/zinc/43/49/17/879434917.db2.gz FEAXZMCZLRCRFP-RBUKOAKNSA-N 2 1 392.613 3.552 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc2)c1 ZINC000246885425 879839088 /nfs/dbraw/zinc/83/90/88/879839088.db2.gz DIUZTJRQUIOHTC-XMMPIXPASA-N 2 1 381.564 3.596 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)CC1 ZINC000247007670 879880025 /nfs/dbraw/zinc/88/00/25/879880025.db2.gz LAJPPZBZXSRNCY-OXQOHEQNSA-N 2 1 397.966 3.703 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000531459955 879891755 /nfs/dbraw/zinc/89/17/55/879891755.db2.gz CSYRSPLHVQWKOS-JOCHJYFZSA-N 2 1 398.595 3.767 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000247107328 879918946 /nfs/dbraw/zinc/91/89/46/879918946.db2.gz QIGGFFKMNFPQSM-PGRDOPGGSA-N 2 1 396.531 3.919 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000247107328 879918957 /nfs/dbraw/zinc/91/89/57/879918957.db2.gz QIGGFFKMNFPQSM-PGRDOPGGSA-N 2 1 396.531 3.919 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1-c1nccs1 ZINC000531493546 879966598 /nfs/dbraw/zinc/96/65/98/879966598.db2.gz LLCNSGAOGIZKEE-UHFFFAOYSA-N 2 1 388.581 3.786 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1-c1nccs1 ZINC000531493546 879966608 /nfs/dbraw/zinc/96/66/08/879966608.db2.gz LLCNSGAOGIZKEE-UHFFFAOYSA-N 2 1 388.581 3.786 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000123158778 880023420 /nfs/dbraw/zinc/02/34/20/880023420.db2.gz XDQLXUPEBVNLDG-NQIIRXRSSA-N 2 1 395.551 3.902 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182851862 880030326 /nfs/dbraw/zinc/03/03/26/880030326.db2.gz WTQVMCSTHYHHSY-JVSBHGNQSA-N 2 1 390.616 3.592 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182851862 880030345 /nfs/dbraw/zinc/03/03/45/880030345.db2.gz WTQVMCSTHYHHSY-JVSBHGNQSA-N 2 1 390.616 3.592 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182851862 880030361 /nfs/dbraw/zinc/03/03/61/880030361.db2.gz WTQVMCSTHYHHSY-JVSBHGNQSA-N 2 1 390.616 3.592 20 0 GHADMP CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000285989071 912528093 /nfs/dbraw/zinc/52/80/93/912528093.db2.gz IAEWBJLXSSYPCX-WXFUMESZSA-N 2 1 383.580 3.525 20 0 GHADMP CN(C)C(=O)c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453066984 880386578 /nfs/dbraw/zinc/38/65/78/880386578.db2.gz IWPJSIQWZREJMQ-SMIHKQSGSA-N 2 1 391.559 3.921 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453066984 880386594 /nfs/dbraw/zinc/38/65/94/880386594.db2.gz IWPJSIQWZREJMQ-SMIHKQSGSA-N 2 1 391.559 3.921 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453066984 880386607 /nfs/dbraw/zinc/38/66/07/880386607.db2.gz IWPJSIQWZREJMQ-SMIHKQSGSA-N 2 1 391.559 3.921 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453089531 880448437 /nfs/dbraw/zinc/44/84/37/880448437.db2.gz KFVOGFMGVLSZAS-LJQANCHMSA-N 2 1 381.358 3.653 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ncc(-c3ccccc3)n2C)[C@@H](C)C1 ZINC000453109286 880477346 /nfs/dbraw/zinc/47/73/46/880477346.db2.gz AGMYBKURYJCBKS-ZJOUEHCJSA-N 2 1 384.568 3.875 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(-c4ccccc4)nn3C)CC2)nc(C)[nH+]1 ZINC000453142959 880541815 /nfs/dbraw/zinc/54/18/15/880541815.db2.gz UPJIBUCWVJHQFH-KRWDZBQOSA-N 2 1 390.535 3.814 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnc(C4CC4)nc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453173368 880577361 /nfs/dbraw/zinc/57/73/61/880577361.db2.gz IPWKTDXFBYQFGC-VABKMULXSA-N 2 1 376.548 3.929 20 0 GHADMP C[C@@H]1CCC[C@](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)(N(C)C)C1 ZINC000531851520 880606068 /nfs/dbraw/zinc/60/60/68/880606068.db2.gz LZWVNMKHHCDGPV-YKSBVNFPSA-N 2 1 386.628 3.817 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453284775 880727635 /nfs/dbraw/zinc/72/76/35/880727635.db2.gz PTNJGCLKYKRHRN-SCUZDCGXSA-N 2 1 391.559 3.711 20 0 GHADMP C[NH+](Cc1ccccc1)C1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453284775 880727638 /nfs/dbraw/zinc/72/76/38/880727638.db2.gz PTNJGCLKYKRHRN-SCUZDCGXSA-N 2 1 391.559 3.711 20 0 GHADMP C[NH+](Cc1ccccc1)C1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453284775 880727644 /nfs/dbraw/zinc/72/76/44/880727644.db2.gz PTNJGCLKYKRHRN-SCUZDCGXSA-N 2 1 391.559 3.711 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3Cl)CC2)C1=O ZINC001275202031 912604508 /nfs/dbraw/zinc/60/45/08/912604508.db2.gz MDOHMUVZUGVEAK-FQEVSTJZSA-N 2 1 398.378 3.760 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000531936832 880790718 /nfs/dbraw/zinc/79/07/18/880790718.db2.gz CWTZTQJRERSBAK-JYJNAYRXSA-N 2 1 381.948 3.776 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000531936832 880790721 /nfs/dbraw/zinc/79/07/21/880790721.db2.gz CWTZTQJRERSBAK-JYJNAYRXSA-N 2 1 381.948 3.776 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OCC ZINC000532015857 880925914 /nfs/dbraw/zinc/92/59/14/880925914.db2.gz APHFHKREFVCHFS-SFTDATJTSA-N 2 1 390.568 3.732 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186837989 881001346 /nfs/dbraw/zinc/00/13/46/881001346.db2.gz ZWTALVAGRUHNJG-UHFFFAOYSA-N 2 1 390.568 3.902 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000132336425 881093593 /nfs/dbraw/zinc/09/35/93/881093593.db2.gz SSGWYJDVWVZKDI-NRFANRHFSA-N 2 1 389.559 3.618 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000119876984 881197330 /nfs/dbraw/zinc/19/73/30/881197330.db2.gz CCERCHSVGMCOMQ-UHFFFAOYSA-N 2 1 397.567 3.655 20 0 GHADMP COCCOc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499147440 881292444 /nfs/dbraw/zinc/29/24/44/881292444.db2.gz OLRAGVHKUQZEPN-NUNAXRQHSA-N 2 1 380.532 3.997 20 0 GHADMP COCCOc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499147440 881292454 /nfs/dbraw/zinc/29/24/54/881292454.db2.gz OLRAGVHKUQZEPN-NUNAXRQHSA-N 2 1 380.532 3.997 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490917 883141667 /nfs/dbraw/zinc/14/16/67/883141667.db2.gz SIIJKKXSYZKJJU-WMZOPIPTSA-N 2 1 390.572 3.797 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000195137395 883191406 /nfs/dbraw/zinc/19/14/06/883191406.db2.gz JSEBOSDUIUPBRZ-CTNGQTDRSA-N 2 1 377.532 3.986 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000476822826 883215240 /nfs/dbraw/zinc/21/52/40/883215240.db2.gz UNMIQRLALAJENE-JJOUBASASA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476822826 883215256 /nfs/dbraw/zinc/21/52/56/883215256.db2.gz UNMIQRLALAJENE-JJOUBASASA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000476822826 883215272 /nfs/dbraw/zinc/21/52/72/883215272.db2.gz UNMIQRLALAJENE-JJOUBASASA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000193383154 883247790 /nfs/dbraw/zinc/24/77/90/883247790.db2.gz AJWOHHRLADMLDN-LJQANCHMSA-N 2 1 398.595 3.592 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000551177150 883430346 /nfs/dbraw/zinc/43/03/46/883430346.db2.gz SHKZXMPJQSWWNB-MOPGFXCFSA-N 2 1 391.357 3.851 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000551177150 883430357 /nfs/dbraw/zinc/43/03/57/883430357.db2.gz SHKZXMPJQSWWNB-MOPGFXCFSA-N 2 1 391.357 3.851 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457497 912711240 /nfs/dbraw/zinc/71/12/40/912711240.db2.gz HAQDFPNNDUDWHL-VTZPFEBOSA-N 3 1 391.559 3.744 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457497 912711245 /nfs/dbraw/zinc/71/12/45/912711245.db2.gz HAQDFPNNDUDWHL-VTZPFEBOSA-N 2 1 391.559 3.744 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457497 912711253 /nfs/dbraw/zinc/71/12/53/912711253.db2.gz HAQDFPNNDUDWHL-VTZPFEBOSA-N 2 1 391.559 3.744 20 0 GHADMP c1ccc(CN2CCC[C@H](C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457497 912711260 /nfs/dbraw/zinc/71/12/60/912711260.db2.gz HAQDFPNNDUDWHL-VTZPFEBOSA-N 2 1 391.559 3.744 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000643492951 912723378 /nfs/dbraw/zinc/72/33/78/912723378.db2.gz AMNBVMKZKDFPPV-TZRRMPRUSA-N 2 1 398.595 3.510 20 0 GHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477029957 883590705 /nfs/dbraw/zinc/59/07/05/883590705.db2.gz CXKARLPRGAJZKE-HSZRJFAPSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477029957 883590710 /nfs/dbraw/zinc/59/07/10/883590710.db2.gz CXKARLPRGAJZKE-HSZRJFAPSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477029957 883590715 /nfs/dbraw/zinc/59/07/15/883590715.db2.gz CXKARLPRGAJZKE-HSZRJFAPSA-N 2 1 395.591 3.908 20 0 GHADMP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213425 883665799 /nfs/dbraw/zinc/66/57/99/883665799.db2.gz VDZVVDLPNLKCRX-KRWDZBQOSA-N 2 1 376.504 3.755 20 0 GHADMP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213425 883665801 /nfs/dbraw/zinc/66/58/01/883665801.db2.gz VDZVVDLPNLKCRX-KRWDZBQOSA-N 2 1 376.504 3.755 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182699050 883785318 /nfs/dbraw/zinc/78/53/18/883785318.db2.gz JGKUKJCJLHJVDI-TZIWHRDSSA-N 2 1 392.632 3.697 20 0 GHADMP Fc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1Cl ZINC001211911942 883987092 /nfs/dbraw/zinc/98/70/92/883987092.db2.gz VQVXTXUFQMHBRF-INIZCTEOSA-N 2 1 398.869 3.718 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508880080 884083795 /nfs/dbraw/zinc/08/37/95/884083795.db2.gz KSTVIASZCKMNHG-KNQAVFIVSA-N 2 1 388.600 3.831 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000648734558 884201782 /nfs/dbraw/zinc/20/17/82/884201782.db2.gz QQPZKOIVUKQCBZ-RTBURBONSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000648734558 884201796 /nfs/dbraw/zinc/20/17/96/884201796.db2.gz QQPZKOIVUKQCBZ-RTBURBONSA-N 2 1 382.552 3.945 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000583291955 884304731 /nfs/dbraw/zinc/30/47/31/884304731.db2.gz MXKBUDXSBQJZDW-LOSJGSFVSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000583291955 884304748 /nfs/dbraw/zinc/30/47/48/884304748.db2.gz MXKBUDXSBQJZDW-LOSJGSFVSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000583291955 884304768 /nfs/dbraw/zinc/30/47/68/884304768.db2.gz MXKBUDXSBQJZDW-LOSJGSFVSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000583291955 884304787 /nfs/dbraw/zinc/30/47/87/884304787.db2.gz MXKBUDXSBQJZDW-LOSJGSFVSA-N 2 1 386.543 3.885 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000495054152 884455698 /nfs/dbraw/zinc/45/56/98/884455698.db2.gz RLXLRENJCHSMGT-SUMDDJOVSA-N 2 1 397.485 3.735 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000495054152 884455705 /nfs/dbraw/zinc/45/57/05/884455705.db2.gz RLXLRENJCHSMGT-SUMDDJOVSA-N 2 1 397.485 3.735 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)C[C@H](C)O1 ZINC000170780100 884550345 /nfs/dbraw/zinc/55/03/45/884550345.db2.gz LLGCFASDSGHSOS-CALCHBBNSA-N 2 1 386.565 3.526 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)C[C@H](C)O1 ZINC000170780100 884550354 /nfs/dbraw/zinc/55/03/54/884550354.db2.gz LLGCFASDSGHSOS-CALCHBBNSA-N 2 1 386.565 3.526 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898101842 884607740 /nfs/dbraw/zinc/60/77/40/884607740.db2.gz ZRHZTKQSJSVXSG-WJMWBRGCSA-N 2 1 387.568 3.790 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532955396 884677361 /nfs/dbraw/zinc/67/73/61/884677361.db2.gz XRRPXFIQWHADSI-UHFFFAOYSA-N 2 1 392.547 3.976 20 0 GHADMP O=C(C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC001168295843 884998750 /nfs/dbraw/zinc/99/87/50/884998750.db2.gz TWCNGRQSBWWRCZ-QHCPKHFHSA-N 2 1 396.506 3.895 20 0 GHADMP O=C(C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC001168295843 884998760 /nfs/dbraw/zinc/99/87/60/884998760.db2.gz TWCNGRQSBWWRCZ-QHCPKHFHSA-N 2 1 396.506 3.895 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000302980903 885409828 /nfs/dbraw/zinc/40/98/28/885409828.db2.gz JOYGFFMJTVTPQZ-HCXYKTFWSA-N 2 1 392.613 3.551 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303018997 885427685 /nfs/dbraw/zinc/42/76/85/885427685.db2.gz OIAUMVFRDBENAC-DNQXCXABSA-N 2 1 391.559 3.852 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303018996 885428312 /nfs/dbraw/zinc/42/83/12/885428312.db2.gz OIAUMVFRDBENAC-BJKOFHAPSA-N 2 1 391.559 3.852 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000303045765 885437944 /nfs/dbraw/zinc/43/79/44/885437944.db2.gz UKXUEAJSHXGLSZ-FUPPJEDESA-N 2 1 385.596 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000303045765 885437952 /nfs/dbraw/zinc/43/79/52/885437952.db2.gz UKXUEAJSHXGLSZ-FUPPJEDESA-N 2 1 385.596 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000303045765 885437957 /nfs/dbraw/zinc/43/79/57/885437957.db2.gz UKXUEAJSHXGLSZ-FUPPJEDESA-N 2 1 385.596 3.773 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000303088641 885452323 /nfs/dbraw/zinc/45/23/23/885452323.db2.gz YPJKXOPSIMYGEE-QGZVFWFLSA-N 2 1 379.976 3.789 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)[C@H](C)C1 ZINC000495420385 885747352 /nfs/dbraw/zinc/74/73/52/885747352.db2.gz HMYRUJIBDMDSHT-VQIMIIECSA-N 2 1 398.389 3.588 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000118773359 886261120 /nfs/dbraw/zinc/26/11/20/886261120.db2.gz TXHUBLZLYODPIG-IBGZPJMESA-N 2 1 382.552 3.945 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000118773359 886261141 /nfs/dbraw/zinc/26/11/41/886261141.db2.gz TXHUBLZLYODPIG-IBGZPJMESA-N 2 1 382.552 3.945 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c2ccccc2)cc1 ZINC000118945082 886355394 /nfs/dbraw/zinc/35/53/94/886355394.db2.gz RIGPGJVUKFMKJJ-JWQCQUIFSA-N 2 1 396.575 3.924 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001131308634 886368663 /nfs/dbraw/zinc/36/86/63/886368663.db2.gz OIOHBYRYWYUQRT-NRFANRHFSA-N 2 1 387.568 3.544 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000119238026 886547899 /nfs/dbraw/zinc/54/78/99/886547899.db2.gz NVXDNKCFJIAOAZ-UHFFFAOYSA-N 2 1 375.586 3.544 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000863036527 886834825 /nfs/dbraw/zinc/83/48/25/886834825.db2.gz CQGCDFHZBIENHM-QGZVFWFLSA-N 2 1 383.323 3.698 20 0 GHADMP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000236586007 886867760 /nfs/dbraw/zinc/86/77/60/886867760.db2.gz IDMONFCFEPDPLL-RUZDIDTESA-N 2 1 377.576 3.948 20 0 GHADMP c1ccc(CC[NH+]2CCC(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000236586007 886867769 /nfs/dbraw/zinc/86/77/69/886867769.db2.gz IDMONFCFEPDPLL-RUZDIDTESA-N 2 1 377.576 3.948 20 0 GHADMP CCCC1CCC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000236806699 886885050 /nfs/dbraw/zinc/88/50/50/886885050.db2.gz UMDOZGUCIGEZRN-UHFFFAOYSA-N 2 1 387.568 3.796 20 0 GHADMP C[NH2+]C[C@H](C)c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC000863656794 887266588 /nfs/dbraw/zinc/26/65/88/887266588.db2.gz OTFFZFXWQRMRCD-CGTJXYLNSA-N 2 1 382.533 3.837 20 0 GHADMP COc1ccc(OC(F)(F)F)cc1CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168497561 887291777 /nfs/dbraw/zinc/29/17/77/887291777.db2.gz VALWBDPUFZIBLV-UHFFFAOYSA-N 2 1 392.381 3.540 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132072592 887604195 /nfs/dbraw/zinc/60/41/95/887604195.db2.gz UMOZWXHYZDZYPQ-XXBNENTESA-N 2 1 379.548 3.873 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132814803 887703696 /nfs/dbraw/zinc/70/36/96/887703696.db2.gz BLNHLEKTRDJTSH-BFUOFWGJSA-N 2 1 397.332 3.666 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809756952 887799097 /nfs/dbraw/zinc/79/90/97/887799097.db2.gz VGLOKBSROHYWJY-NRFANRHFSA-N 2 1 378.561 3.805 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809756952 887799110 /nfs/dbraw/zinc/79/91/10/887799110.db2.gz VGLOKBSROHYWJY-NRFANRHFSA-N 2 1 378.561 3.805 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000120111631 887848448 /nfs/dbraw/zinc/84/84/48/887848448.db2.gz GYFQYDCREZVXBH-HRAATJIYSA-N 2 1 390.549 3.912 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000120111631 887848461 /nfs/dbraw/zinc/84/84/61/887848461.db2.gz GYFQYDCREZVXBH-HRAATJIYSA-N 2 1 390.549 3.912 20 0 GHADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184405698 913192655 /nfs/dbraw/zinc/19/26/55/913192655.db2.gz LYTODGFKCDYSPY-QGZVFWFLSA-N 2 1 382.895 3.516 20 0 GHADMP O=C(NCc1[nH+]cn2ccccc12)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184405698 913192668 /nfs/dbraw/zinc/19/26/68/913192668.db2.gz LYTODGFKCDYSPY-QGZVFWFLSA-N 2 1 382.895 3.516 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698692 888031313 /nfs/dbraw/zinc/03/13/13/888031313.db2.gz PDMGCSNKZCUFCX-UGKGYDQZSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698692 888031324 /nfs/dbraw/zinc/03/13/24/888031324.db2.gz PDMGCSNKZCUFCX-UGKGYDQZSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698692 888031337 /nfs/dbraw/zinc/03/13/37/888031337.db2.gz PDMGCSNKZCUFCX-UGKGYDQZSA-N 2 1 386.584 3.584 20 0 GHADMP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184408892 913206000 /nfs/dbraw/zinc/20/60/00/913206000.db2.gz YOOMELDANCCSHH-SFHVURJKSA-N 2 1 396.922 3.787 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ncccc2N(C)C)cc1C[NH+]1CCCCC1 ZINC000810248449 888349459 /nfs/dbraw/zinc/34/94/59/888349459.db2.gz ZETIWVNJKNPMGT-SFHVURJKSA-N 2 1 382.552 3.993 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000397959293 888482253 /nfs/dbraw/zinc/48/22/53/888482253.db2.gz CZMGRMDECCKVPT-LMNJBCLMSA-N 2 1 388.939 3.580 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000465517238 888530498 /nfs/dbraw/zinc/53/04/98/888530498.db2.gz BZXVQQLKFXUVBX-LBVMUVSTSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454326771 888857024 /nfs/dbraw/zinc/85/70/24/888857024.db2.gz SLLCPAZVIFFLML-IBGZPJMESA-N 2 1 380.536 3.734 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000532802425 888972408 /nfs/dbraw/zinc/97/24/08/888972408.db2.gz YKIPVSWLVUGYGI-RXVVDRJESA-N 2 1 393.510 3.797 20 0 GHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000245667350 889192432 /nfs/dbraw/zinc/19/24/32/889192432.db2.gz DXPOTCCICGTCLS-ICSRJNTNSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000465530364 889253883 /nfs/dbraw/zinc/25/38/83/889253883.db2.gz ZGKFYCZOSCZOKZ-MJGOQNOKSA-N 2 1 380.602 3.504 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCCC[C@H]1C ZINC000465530481 889256047 /nfs/dbraw/zinc/25/60/47/889256047.db2.gz NZCOONKHZBVIEG-SOAMZJECSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000465530481 889256059 /nfs/dbraw/zinc/25/60/59/889256059.db2.gz NZCOONKHZBVIEG-SOAMZJECSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@H+]1CCCC[C@H]1C ZINC000465530481 889256066 /nfs/dbraw/zinc/25/60/66/889256066.db2.gz NZCOONKHZBVIEG-SOAMZJECSA-N 2 1 392.613 3.693 20 0 GHADMP [NH3+]CCN(c1c[nH+]c2c(Br)cccn12)C12CC3CC(CC(C3)C1)C2 ZINC001170627765 889276689 /nfs/dbraw/zinc/27/66/89/889276689.db2.gz XZIDRHAVQNOGCV-UHFFFAOYSA-N 2 1 389.341 3.831 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245700493 889281597 /nfs/dbraw/zinc/28/15/97/889281597.db2.gz LRZOSEZGFDVPFX-ARXROMJUSA-N 2 1 397.607 3.540 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1CCc1ccccc1 ZINC000532921627 889334929 /nfs/dbraw/zinc/33/49/29/889334929.db2.gz DBOJUKGTTOOTOV-UHFFFAOYSA-N 2 1 381.564 3.804 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000532950549 889366425 /nfs/dbraw/zinc/36/64/25/889366425.db2.gz RDSIWRNCZJOYOH-OAHLLOKOSA-N 2 1 396.373 3.828 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000124395989 889617167 /nfs/dbraw/zinc/61/71/67/889617167.db2.gz YRKJDGPGGSIZSN-FYYLOGMGSA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000869007985 889714727 /nfs/dbraw/zinc/71/47/27/889714727.db2.gz LGTATQWLPAIPDS-HYSSXYDPSA-N 2 1 392.613 3.693 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000125093777 889871866 /nfs/dbraw/zinc/87/18/66/889871866.db2.gz JXORRTSHPZYFLW-DPLHUUCSSA-N 2 1 387.612 3.939 20 0 GHADMP Cc1nc(-n2ccnc2)cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)[nH+]1 ZINC001170644183 889969703 /nfs/dbraw/zinc/96/97/03/889969703.db2.gz FOCLOFIGAWAKED-NSKBAKJYSA-N 2 1 388.519 3.603 20 0 GHADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246070414 890308403 /nfs/dbraw/zinc/30/84/03/890308403.db2.gz HTCOBMLIYBLTLD-IEBWSBKVSA-N 2 1 383.540 3.615 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246070414 890308417 /nfs/dbraw/zinc/30/84/17/890308417.db2.gz HTCOBMLIYBLTLD-IEBWSBKVSA-N 2 1 383.540 3.615 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000533547968 890821026 /nfs/dbraw/zinc/82/10/26/890821026.db2.gz JPOQUTKVPTVHKR-HSALFYBXSA-N 2 1 397.563 3.694 20 0 GHADMP C[C@H](Oc1ccccc1)c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872175973 891198809 /nfs/dbraw/zinc/19/88/09/891198809.db2.gz VNJVEQKNCSHSNA-SFHVURJKSA-N 2 1 392.503 3.746 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000246468400 891267987 /nfs/dbraw/zinc/26/79/87/891267987.db2.gz PVJGXXKREALWKG-YXPZWWFCSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000246468400 891268004 /nfs/dbraw/zinc/26/80/04/891268004.db2.gz PVJGXXKREALWKG-YXPZWWFCSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000246468400 891268021 /nfs/dbraw/zinc/26/80/21/891268021.db2.gz PVJGXXKREALWKG-YXPZWWFCSA-N 2 1 398.595 3.554 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000247079572 891343190 /nfs/dbraw/zinc/34/31/90/891343190.db2.gz OSDPTJXOXCKBGY-PXDATVDWSA-N 2 1 392.591 3.855 20 0 GHADMP c1cc(N2CCCC2)oc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001137066455 891425177 /nfs/dbraw/zinc/42/51/77/891425177.db2.gz RUCPTVCLODGLIG-UHFFFAOYSA-N 2 1 395.547 3.747 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCSC5)C4)[C@@H]3C2)cc1 ZINC000248398719 891430564 /nfs/dbraw/zinc/43/05/64/891430564.db2.gz JGNFUCXMGFATOQ-NQQQLTFYSA-N 2 1 386.605 3.931 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000497526097 891794413 /nfs/dbraw/zinc/79/44/13/891794413.db2.gz QRONHBGIHVUKMB-UEXGIBASSA-N 2 1 388.552 3.507 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261911119 892163194 /nfs/dbraw/zinc/16/31/94/892163194.db2.gz XOVFTSVCMHBSHE-DEOSSOPVSA-N 2 1 390.531 3.778 20 0 GHADMP c1cc([C@H]2CCC[NH2+]2)ccc1N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001170719162 892172515 /nfs/dbraw/zinc/17/25/15/892172515.db2.gz WAWFPVGSGSRHCJ-WXFUMESZSA-N 2 1 382.596 3.862 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000128716577 892322683 /nfs/dbraw/zinc/32/26/83/892322683.db2.gz NMFSITGBTAYJKV-LJQANCHMSA-N 2 1 390.572 3.540 20 0 GHADMP c1cc(-c2ccncc2)n(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000814225012 892418068 /nfs/dbraw/zinc/41/80/68/892418068.db2.gz OAMJRKLSMXUMDH-UHFFFAOYSA-N 2 1 387.531 3.891 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5nccnc5c4)CC3)C2)c1 ZINC001137085864 892475424 /nfs/dbraw/zinc/47/54/24/892475424.db2.gz WBYBJCIFUPIEKW-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5nccnc5c4)CC3)C2)c1 ZINC001137085864 892475432 /nfs/dbraw/zinc/47/54/32/892475432.db2.gz WBYBJCIFUPIEKW-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[N@H+]1Cc1ccccc1 ZINC000875352152 892562013 /nfs/dbraw/zinc/56/20/13/892562013.db2.gz DJHQUAJNNWJNFS-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP CCCOc1c(Br)cc(CNC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000068722571 892609415 /nfs/dbraw/zinc/60/94/15/892609415.db2.gz UDLVALBRPQDGSR-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000068722571 892609425 /nfs/dbraw/zinc/60/94/25/892609425.db2.gz UDLVALBRPQDGSR-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP C[C@@H](Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708254 892775116 /nfs/dbraw/zinc/77/51/16/892775116.db2.gz ARYLBDWTIXQMBP-QPPBQGQZSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508708254 892775121 /nfs/dbraw/zinc/77/51/21/892775121.db2.gz ARYLBDWTIXQMBP-QPPBQGQZSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708254 892775126 /nfs/dbraw/zinc/77/51/26/892775126.db2.gz ARYLBDWTIXQMBP-QPPBQGQZSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715731 892865427 /nfs/dbraw/zinc/86/54/27/892865427.db2.gz XMECKOVPUAWEAE-FUHWJXTLSA-N 2 1 393.453 3.979 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H]4C[C@@H]5[C@H](C4)C5(C)C)CC3)C2)c1 ZINC001170753603 892955585 /nfs/dbraw/zinc/95/55/85/892955585.db2.gz RASQSWHGDOCOHM-MMVMTREESA-N 2 1 384.564 3.797 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4C[C@@H]5[C@H](C4)C5(C)C)CC3)C2)c1 ZINC001170753603 892955591 /nfs/dbraw/zinc/95/55/91/892955591.db2.gz RASQSWHGDOCOHM-MMVMTREESA-N 2 1 384.564 3.797 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674160 893048419 /nfs/dbraw/zinc/04/84/19/893048419.db2.gz NTLBGKYOHPWGBT-PMACEKPBSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674160 893048436 /nfs/dbraw/zinc/04/84/36/893048436.db2.gz NTLBGKYOHPWGBT-PMACEKPBSA-N 2 1 390.572 3.941 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000465548479 893272209 /nfs/dbraw/zinc/27/22/09/893272209.db2.gz HPUVRVVFVSZNNP-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2sc(C3CC[NH2+]CC3)nc2C)CC1 ZINC000876724424 893303341 /nfs/dbraw/zinc/30/33/41/893303341.db2.gz WPMURINYFIKFKI-UHFFFAOYSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000877055132 893459692 /nfs/dbraw/zinc/45/96/92/893459692.db2.gz NLAVDIIOOGSGLJ-SFHVURJKSA-N 2 1 389.540 3.624 20 0 GHADMP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000815126944 893460039 /nfs/dbraw/zinc/46/00/39/893460039.db2.gz TUZVBGHNICTSHP-ZWKOTPCHSA-N 2 1 393.369 3.539 20 0 GHADMP CCOc1cc(C[NH2+]CCCCn2cc[nH+]c2C)cc(Br)c1O ZINC000459423875 893505879 /nfs/dbraw/zinc/50/58/79/893505879.db2.gz FLOANMZHNCVMIX-UHFFFAOYSA-N 2 1 382.302 3.628 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@@H](Cc2nccs2)C1)[NH+]1CC[C@H](Cc2nccs2)C1 ZINC000934335056 893555194 /nfs/dbraw/zinc/55/51/94/893555194.db2.gz GIJZYMSSLCXWBR-FGTMMUONSA-N 2 1 390.622 3.807 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](Cc2nccs2)C1)[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335056 893555210 /nfs/dbraw/zinc/55/52/10/893555210.db2.gz GIJZYMSSLCXWBR-FGTMMUONSA-N 2 1 390.622 3.807 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](Cc2nccs2)C1)[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335056 893555228 /nfs/dbraw/zinc/55/52/28/893555228.db2.gz GIJZYMSSLCXWBR-FGTMMUONSA-N 2 1 390.622 3.807 20 0 GHADMP C[NH+]1CCC(CCO)([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459487509 893602082 /nfs/dbraw/zinc/60/20/82/893602082.db2.gz YCONWEMNTFRBIV-YVMONPNESA-N 2 1 380.532 3.715 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2CN(C)Cc2ccco2)C[C@@H]1C ZINC000498229351 893660629 /nfs/dbraw/zinc/66/06/29/893660629.db2.gz WBHDWMGNMDTVIE-OALUTQOASA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H]1C ZINC000498229351 893660636 /nfs/dbraw/zinc/66/06/36/893660636.db2.gz WBHDWMGNMDTVIE-OALUTQOASA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H]1C ZINC000498229351 893660640 /nfs/dbraw/zinc/66/06/40/893660640.db2.gz WBHDWMGNMDTVIE-OALUTQOASA-N 2 1 398.551 3.536 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H]1C ZINC000498229351 893660647 /nfs/dbraw/zinc/66/06/47/893660647.db2.gz WBHDWMGNMDTVIE-OALUTQOASA-N 2 1 398.551 3.536 20 0 GHADMP COC(=O)c1nc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1Cl ZINC000877624664 893727199 /nfs/dbraw/zinc/72/71/99/893727199.db2.gz GTNYLPDRAYHSTG-UZLBHIALSA-N 2 1 399.922 3.979 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)ccc1Cl ZINC000877624664 893727213 /nfs/dbraw/zinc/72/72/13/893727213.db2.gz GTNYLPDRAYHSTG-UZLBHIALSA-N 2 1 399.922 3.979 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc(Br)c1O ZINC000459552201 893789861 /nfs/dbraw/zinc/78/98/61/893789861.db2.gz SKSKSWRPDKIZEU-INIZCTEOSA-N 2 1 397.357 3.717 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563607863 893964815 /nfs/dbraw/zinc/96/48/15/893964815.db2.gz FDHJDJJFHCXCPC-JOCHJYFZSA-N 2 1 380.536 3.610 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536936497 894120539 /nfs/dbraw/zinc/12/05/39/894120539.db2.gz WRTCQEOWKUNUOZ-BRWVUGGUSA-N 2 1 382.495 3.616 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001135296574 894334187 /nfs/dbraw/zinc/33/41/87/894334187.db2.gz YAMYFUBBRKOREO-RTBURBONSA-N 2 1 377.598 3.758 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001135451379 894608563 /nfs/dbraw/zinc/60/85/63/894608563.db2.gz STASZXPNNGUQOS-FQEVSTJZSA-N 2 1 375.601 3.946 20 0 GHADMP C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537289670 894711975 /nfs/dbraw/zinc/71/19/75/894711975.db2.gz HYAOKTUFPDHJCH-OFAXGOBFSA-N 2 1 377.532 3.507 20 0 GHADMP COCC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)CC1CC[NH+](C)CC1 ZINC000879126552 894851816 /nfs/dbraw/zinc/85/18/16/894851816.db2.gz ZRZPLWWVZKWZBC-UHFFFAOYSA-N 2 1 389.584 3.621 20 0 GHADMP COC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000564424135 894966312 /nfs/dbraw/zinc/96/63/12/894966312.db2.gz PRCWJABXURYYDV-RTBURBONSA-N 2 1 393.984 3.667 20 0 GHADMP O=c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000564454455 895002736 /nfs/dbraw/zinc/00/27/36/895002736.db2.gz SNURNOYOBFTPBO-IRXDYDNUSA-N 2 1 394.544 3.885 20 0 GHADMP O=c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000564454455 895002751 /nfs/dbraw/zinc/00/27/51/895002751.db2.gz SNURNOYOBFTPBO-IRXDYDNUSA-N 2 1 394.544 3.885 20 0 GHADMP C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000645493390 913932970 /nfs/dbraw/zinc/93/29/70/913932970.db2.gz ZLKVNDJBJQZFMZ-NFBKMPQASA-N 2 1 386.580 3.710 20 0 GHADMP Cc1cccc2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)[nH]nc21 ZINC001137146380 895269752 /nfs/dbraw/zinc/26/97/52/895269752.db2.gz IYQWFBRPOULWAL-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987194 895338950 /nfs/dbraw/zinc/33/89/50/895338950.db2.gz SFENYHXRAHICOH-ZQDZILKHSA-N 2 1 386.565 3.514 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000564989192 895340681 /nfs/dbraw/zinc/34/06/81/895340681.db2.gz TWGKWMYVISQRHN-QWHCGFSZSA-N 2 1 389.849 3.619 20 0 GHADMP CC(C)CCn1cccc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000565134247 895415414 /nfs/dbraw/zinc/41/54/14/895415414.db2.gz FHGNOHMAYYOHEA-SFTDATJTSA-N 2 1 391.600 3.624 20 0 GHADMP CCN1CCC([N@H+]2CCCN(Cc3cc4ccccc4nc3Cl)CC2)CC1 ZINC000817287954 895440784 /nfs/dbraw/zinc/44/07/84/895440784.db2.gz REMUQGHBZJBXKE-UHFFFAOYSA-N 2 1 386.971 3.880 20 0 GHADMP CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148657 895541941 /nfs/dbraw/zinc/54/19/41/895541941.db2.gz IWQKWLGSZQELHC-KDURUIRLSA-N 2 1 394.987 3.526 20 0 GHADMP CC(C)(O)[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148657 895541951 /nfs/dbraw/zinc/54/19/51/895541951.db2.gz IWQKWLGSZQELHC-KDURUIRLSA-N 2 1 394.987 3.526 20 0 GHADMP CC(C)(O)[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148657 895541956 /nfs/dbraw/zinc/54/19/56/895541956.db2.gz IWQKWLGSZQELHC-KDURUIRLSA-N 2 1 394.987 3.526 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001135953979 895761952 /nfs/dbraw/zinc/76/19/52/895761952.db2.gz HJDAVCZTYOZXDM-QHCPKHFHSA-N 2 1 397.538 3.948 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001135953979 895761962 /nfs/dbraw/zinc/76/19/62/895761962.db2.gz HJDAVCZTYOZXDM-QHCPKHFHSA-N 2 1 397.538 3.948 20 0 GHADMP C[C@]1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000817926951 895949710 /nfs/dbraw/zinc/94/97/10/895949710.db2.gz AHRYNABLVSUTGA-GPXOXTDOSA-N 3 1 391.559 3.744 20 0 GHADMP C[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000817926951 895949719 /nfs/dbraw/zinc/94/97/19/895949719.db2.gz AHRYNABLVSUTGA-GPXOXTDOSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000817926951 895949726 /nfs/dbraw/zinc/94/97/26/895949726.db2.gz AHRYNABLVSUTGA-GPXOXTDOSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@]1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCN(Cc2ccccc2)C1 ZINC000817926951 895949735 /nfs/dbraw/zinc/94/97/35/895949735.db2.gz AHRYNABLVSUTGA-GPXOXTDOSA-N 2 1 391.559 3.744 20 0 GHADMP [NH3+]CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000566210946 896174054 /nfs/dbraw/zinc/17/40/54/896174054.db2.gz AJOBVRMNUFMLDA-IRLDBZIGSA-N 2 1 383.511 3.634 20 0 GHADMP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245034 896196607 /nfs/dbraw/zinc/19/66/07/896196607.db2.gz XXJMJELXAJSMNA-IPJJNNNSSA-N 2 1 381.495 3.827 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000566286920 896216996 /nfs/dbraw/zinc/21/69/96/896216996.db2.gz UCEUSLCVSBYYPN-RBBKRZOGSA-N 2 1 397.607 3.955 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000566435150 896309643 /nfs/dbraw/zinc/30/96/43/896309643.db2.gz FPCNDFXCVYQGPS-FQEVSTJZSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)c2)CCO1 ZINC000818974789 896332342 /nfs/dbraw/zinc/33/23/42/896332342.db2.gz FKAMTVRPYCGLTE-YCRPNKLZSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)c2)CCO1 ZINC000818974789 896332358 /nfs/dbraw/zinc/33/23/58/896332358.db2.gz FKAMTVRPYCGLTE-YCRPNKLZSA-N 2 1 392.902 3.523 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000819079303 896391444 /nfs/dbraw/zinc/39/14/44/896391444.db2.gz ULWPWMLLRPTFJO-VGSWGCGISA-N 2 1 384.520 3.552 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819282960 896525741 /nfs/dbraw/zinc/52/57/41/896525741.db2.gz DWFQSKHDYZFWHN-LADGPHEKSA-N 2 1 382.548 3.545 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778554273 896573865 /nfs/dbraw/zinc/57/38/65/896573865.db2.gz VLMSYRHYASZKLS-DJPFJPOOSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778554273 896573877 /nfs/dbraw/zinc/57/38/77/896573877.db2.gz VLMSYRHYASZKLS-DJPFJPOOSA-N 2 1 399.485 3.570 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819366471 896643196 /nfs/dbraw/zinc/64/31/96/896643196.db2.gz QNNGPJRIOFSVMC-GUYCJALGSA-N 2 1 389.765 3.632 20 0 GHADMP C[C@H](CNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001136226194 896776772 /nfs/dbraw/zinc/77/67/72/896776772.db2.gz UMQLUEDULRQCTP-NJYVYQBISA-N 2 1 385.596 3.566 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000567034084 896817900 /nfs/dbraw/zinc/81/79/00/896817900.db2.gz PLDGOCFFAPYSQP-QHCPKHFHSA-N 2 1 392.591 3.938 20 0 GHADMP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000567046675 896829644 /nfs/dbraw/zinc/82/96/44/896829644.db2.gz NRFCOGGPAIELEY-RACNMONISA-N 2 1 395.950 3.614 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000567121000 896891289 /nfs/dbraw/zinc/89/12/89/896891289.db2.gz VVUPKCDMNGIXOU-RXVVDRJESA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000567121000 896891299 /nfs/dbraw/zinc/89/12/99/896891299.db2.gz VVUPKCDMNGIXOU-RXVVDRJESA-N 2 1 385.939 3.581 20 0 GHADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(Br)c(Br)c1 ZINC000567148407 896914844 /nfs/dbraw/zinc/91/48/44/896914844.db2.gz PZVZAANMTHYOLK-UHFFFAOYSA-N 2 1 387.119 3.930 20 0 GHADMP Cc1cc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc(N2CCCC2)[nH+]1 ZINC000567289423 897036784 /nfs/dbraw/zinc/03/67/84/897036784.db2.gz NGXATHCENAPGJJ-UHFFFAOYSA-N 2 1 378.520 3.516 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001136354113 897407028 /nfs/dbraw/zinc/40/70/28/897407028.db2.gz DXEQQAVRSBZDEZ-JOCHJYFZSA-N 2 1 375.601 3.898 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001136354113 897407030 /nfs/dbraw/zinc/40/70/30/897407030.db2.gz DXEQQAVRSBZDEZ-JOCHJYFZSA-N 2 1 375.601 3.898 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001136354113 897407040 /nfs/dbraw/zinc/40/70/40/897407040.db2.gz DXEQQAVRSBZDEZ-JOCHJYFZSA-N 2 1 375.601 3.898 20 0 GHADMP CC[C@H](C(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000568572417 897947538 /nfs/dbraw/zinc/94/75/38/897947538.db2.gz GJQNVEKLTMNDDV-FGCOXFRFSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000568572417 897947554 /nfs/dbraw/zinc/94/75/54/897947554.db2.gz GJQNVEKLTMNDDV-FGCOXFRFSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000568572417 897947559 /nfs/dbraw/zinc/94/75/59/897947559.db2.gz GJQNVEKLTMNDDV-FGCOXFRFSA-N 2 1 393.575 3.924 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCCOc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000107369271 898330634 /nfs/dbraw/zinc/33/06/34/898330634.db2.gz PXOBLCPEFBKJIB-LJQANCHMSA-N 2 1 399.501 3.576 20 0 GHADMP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000569106306 898345042 /nfs/dbraw/zinc/34/50/42/898345042.db2.gz UIOLYHKQNPOQAF-KNQAVFIVSA-N 2 1 386.561 3.528 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCCc3ccc(Br)cc31)CCO2 ZINC000646105975 914260621 /nfs/dbraw/zinc/26/06/21/914260621.db2.gz NQJDZXIVPAEBDZ-GOSISDBHSA-N 2 1 379.342 3.623 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCCc3ccc(Br)cc31)CCO2 ZINC000646105975 914260631 /nfs/dbraw/zinc/26/06/31/914260631.db2.gz NQJDZXIVPAEBDZ-GOSISDBHSA-N 2 1 379.342 3.623 20 0 GHADMP COc1ccc(OCc2nc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)cs2)cc1 ZINC000113335800 898986718 /nfs/dbraw/zinc/98/67/18/898986718.db2.gz VAPUBSJQWNKXCK-HNNXBMFYSA-N 2 1 386.521 3.662 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000569915874 899023298 /nfs/dbraw/zinc/02/32/98/899023298.db2.gz NNSJNQFUCPSXMY-DNQXCXABSA-N 2 1 396.575 3.935 20 0 GHADMP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000570088939 899117732 /nfs/dbraw/zinc/11/77/32/899117732.db2.gz SGSBNHPQXPIFTG-KAOXLYBCSA-N 2 1 378.601 3.939 20 0 GHADMP C(CC[NH+]1CCC[C@@H]1[C@H]1CCCOC1)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570088939 899117738 /nfs/dbraw/zinc/11/77/38/899117738.db2.gz SGSBNHPQXPIFTG-KAOXLYBCSA-N 2 1 378.601 3.939 20 0 GHADMP C(CC[NH+]1CCC[C@@H]1[C@H]1CCCOC1)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570088939 899117741 /nfs/dbraw/zinc/11/77/41/899117741.db2.gz SGSBNHPQXPIFTG-KAOXLYBCSA-N 2 1 378.601 3.939 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000570165731 899169142 /nfs/dbraw/zinc/16/91/42/899169142.db2.gz AGEIQBWVODSHSP-WMZHIEFXSA-N 2 1 391.559 3.622 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(-c2ccccc2)nn1C ZINC000570524792 899359174 /nfs/dbraw/zinc/35/91/74/899359174.db2.gz JWRYAFBWLBHGNZ-LXBDKUERSA-N 2 1 382.552 3.506 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)[C@H]1c1cccs1 ZINC000884227807 899431468 /nfs/dbraw/zinc/43/14/68/899431468.db2.gz YPGPZSWWEDPJAD-BLIXFSHQSA-N 2 1 397.544 3.563 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576583 899695829 /nfs/dbraw/zinc/69/58/29/899695829.db2.gz BRDLNEXQXWBALQ-UCLAIMLFSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576583 899695834 /nfs/dbraw/zinc/69/58/34/899695834.db2.gz BRDLNEXQXWBALQ-UCLAIMLFSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824585287 899724212 /nfs/dbraw/zinc/72/42/12/899724212.db2.gz PEGRWOFTRREUFZ-KKSFZXQISA-N 2 1 376.508 3.669 20 0 GHADMP CC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000824666437 899752263 /nfs/dbraw/zinc/75/22/63/899752263.db2.gz LRSKOPJDIFKZAJ-DFQSSKMNSA-N 2 1 375.557 3.790 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cs2)cc1 ZINC000571623031 899928781 /nfs/dbraw/zinc/92/87/81/899928781.db2.gz CCVGKGUUAOXWPF-PMACEKPBSA-N 2 1 387.549 3.537 20 0 GHADMP C[NH+](CCc1nccs1)Cc1ccccc1C[N@@H+](C)CCc1nccs1 ZINC000121009320 899933575 /nfs/dbraw/zinc/93/35/75/899933575.db2.gz WEWLGWPHDZGEKK-UHFFFAOYSA-N 2 1 386.590 3.949 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000571742541 899963512 /nfs/dbraw/zinc/96/35/12/899963512.db2.gz HMFPVTQNKIQKFE-KBWCOIMZSA-N 2 1 382.527 3.832 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cc1C ZINC001137003130 900042241 /nfs/dbraw/zinc/04/22/41/900042241.db2.gz FXDDLTYNMJNETL-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000572787575 900276875 /nfs/dbraw/zinc/27/68/75/900276875.db2.gz AOWMELSYEQUVNJ-OEMFJLHTSA-N 2 1 395.591 3.668 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000573221197 900419619 /nfs/dbraw/zinc/41/96/19/900419619.db2.gz JXLDKVCADZYERJ-HNNXBMFYSA-N 2 1 375.476 3.709 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312503 900462646 /nfs/dbraw/zinc/46/26/46/900462646.db2.gz HGVWMTCHOQHXDY-CTNGQTDRSA-N 2 1 399.604 3.857 20 0 GHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)c1 ZINC000844222780 900589095 /nfs/dbraw/zinc/58/90/95/900589095.db2.gz LQKZCDTYTNYODD-UHFFFAOYSA-N 2 1 398.576 3.517 20 0 GHADMP CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000573813318 900644131 /nfs/dbraw/zinc/64/41/31/900644131.db2.gz NZRDTFYSXYZKCB-MJGOQNOKSA-N 2 1 385.552 3.851 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)CC1 ZINC001186310784 914463014 /nfs/dbraw/zinc/46/30/14/914463014.db2.gz AGHSHBPSISCPPO-DEOSSOPVSA-N 2 1 391.559 3.556 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)CC1 ZINC001186310784 914463022 /nfs/dbraw/zinc/46/30/22/914463022.db2.gz AGHSHBPSISCPPO-DEOSSOPVSA-N 2 1 391.559 3.556 20 0 GHADMP COc1ccc(Cl)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1F ZINC001143885902 900688222 /nfs/dbraw/zinc/68/82/22/900688222.db2.gz FMRZRUAUPNVDBA-UHFFFAOYSA-N 2 1 384.923 3.812 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328592 900701237 /nfs/dbraw/zinc/70/12/37/900701237.db2.gz KZLZMMNGJUGOAB-FOIQADDNSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328592 900701243 /nfs/dbraw/zinc/70/12/43/900701243.db2.gz KZLZMMNGJUGOAB-FOIQADDNSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328592 900701249 /nfs/dbraw/zinc/70/12/49/900701249.db2.gz KZLZMMNGJUGOAB-FOIQADDNSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3ccc(F)c(F)c3)C2)s1 ZINC000844328592 900701255 /nfs/dbraw/zinc/70/12/55/900701255.db2.gz KZLZMMNGJUGOAB-FOIQADDNSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329388 900702523 /nfs/dbraw/zinc/70/25/23/900702523.db2.gz NHOVUYGUKRNSKW-FOIQADDNSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329388 900702531 /nfs/dbraw/zinc/70/25/31/900702531.db2.gz NHOVUYGUKRNSKW-FOIQADDNSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329388 900702544 /nfs/dbraw/zinc/70/25/44/900702544.db2.gz NHOVUYGUKRNSKW-FOIQADDNSA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329388 900702552 /nfs/dbraw/zinc/70/25/52/900702552.db2.gz NHOVUYGUKRNSKW-FOIQADDNSA-N 2 1 380.504 3.822 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000574021377 900745059 /nfs/dbraw/zinc/74/50/59/900745059.db2.gz KLMURYNUYCYBLL-DFQSSKMNSA-N 2 1 384.568 3.961 20 0 GHADMP Cc1cnc([C@@H](C)[N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@@H](C)c3cnc(C)cn3)CC2)cn1 ZINC000886389397 900976091 /nfs/dbraw/zinc/97/60/91/900976091.db2.gz IBXGGGUKQUAIMF-SOIMTFEMSA-N 2 1 382.556 3.880 20 0 GHADMP Cc1cnc([C@@H](C)[NH+](C)[C@@H]2CC[C@@H]([N@H+](C)[C@@H](C)c3cnc(C)cn3)CC2)cn1 ZINC000886389397 900976103 /nfs/dbraw/zinc/97/61/03/900976103.db2.gz IBXGGGUKQUAIMF-SOIMTFEMSA-N 2 1 382.556 3.880 20 0 GHADMP Cc1cnc([C@@H](C)[NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)[C@@H](C)c3cnc(C)cn3)CC2)cn1 ZINC000886389397 900976108 /nfs/dbraw/zinc/97/61/08/900976108.db2.gz IBXGGGUKQUAIMF-SOIMTFEMSA-N 2 1 382.556 3.880 20 0 GHADMP Cc1c(O)cccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001144112450 901076906 /nfs/dbraw/zinc/07/69/06/901076906.db2.gz IRSGHBUEQBKVKV-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1c(O)cccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001144112450 901076910 /nfs/dbraw/zinc/07/69/10/901076910.db2.gz IRSGHBUEQBKVKV-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1c(O)cccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001144112450 901076919 /nfs/dbraw/zinc/07/69/19/901076919.db2.gz IRSGHBUEQBKVKV-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1c(O)cccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001144112450 901076927 /nfs/dbraw/zinc/07/69/27/901076927.db2.gz IRSGHBUEQBKVKV-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886522370 901118534 /nfs/dbraw/zinc/11/85/34/901118534.db2.gz HUIUMLDIMMNAQY-XWGVYQGASA-N 2 1 377.532 3.830 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000886526014 901124862 /nfs/dbraw/zinc/12/48/62/901124862.db2.gz CODHERYZIZWLAZ-LQJIQPLVSA-N 2 1 376.504 3.972 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)[nH+]c1C ZINC000886664714 901214950 /nfs/dbraw/zinc/21/49/50/901214950.db2.gz VPKBDOYWEFZDJD-QGZVFWFLSA-N 2 1 381.442 3.828 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575735765 901265699 /nfs/dbraw/zinc/26/56/99/901265699.db2.gz LEHNXHDKXCHQJW-QHCPKHFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000575866946 901405077 /nfs/dbraw/zinc/40/50/77/901405077.db2.gz UHLLJZRLBVRFPY-OXQOHEQNSA-N 2 1 380.536 3.829 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000575882999 901425400 /nfs/dbraw/zinc/42/54/00/901425400.db2.gz FSQRALIEKFJFTC-KEJFTWOCSA-N 2 1 395.591 3.810 20 0 GHADMP c1c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nnn1-c1ccccc1 ZINC000575975391 901546022 /nfs/dbraw/zinc/54/60/22/901546022.db2.gz MEFBTYVFSVRTLN-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP c1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nnn1-c1ccccc1 ZINC000575975391 901546039 /nfs/dbraw/zinc/54/60/39/901546039.db2.gz MEFBTYVFSVRTLN-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001144331101 901785038 /nfs/dbraw/zinc/78/50/38/901785038.db2.gz WFDRLNZDBOLUJN-IBGZPJMESA-N 2 1 385.508 3.661 20 0 GHADMP Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125020869 902155049 /nfs/dbraw/zinc/15/50/49/902155049.db2.gz SDZSBOSUBQYSTI-QGZVFWFLSA-N 2 1 387.549 3.568 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000576647052 902156973 /nfs/dbraw/zinc/15/69/73/902156973.db2.gz OSCQTKGETPYEKC-INIZCTEOSA-N 2 1 393.522 3.681 20 0 GHADMP CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000576675288 902180797 /nfs/dbraw/zinc/18/07/97/902180797.db2.gz NLMXLSWSYSWNCT-WMZHIEFXSA-N 2 1 394.563 3.634 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000290370342 914648309 /nfs/dbraw/zinc/64/83/09/914648309.db2.gz HIXYHSUMUSRTIA-UHFFFAOYSA-N 2 1 375.513 3.774 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000290370342 914648322 /nfs/dbraw/zinc/64/83/22/914648322.db2.gz HIXYHSUMUSRTIA-UHFFFAOYSA-N 2 1 375.513 3.774 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000779006681 902746539 /nfs/dbraw/zinc/74/65/39/902746539.db2.gz VBTJHJLWALGYFH-FCHUYYIVSA-N 2 1 399.579 3.996 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c1 ZINC000577418534 902756078 /nfs/dbraw/zinc/75/60/78/902756078.db2.gz ZYZHZXATOFKZCN-UHFFFAOYSA-N 2 1 387.955 3.918 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c1 ZINC000577418534 902756090 /nfs/dbraw/zinc/75/60/90/902756090.db2.gz ZYZHZXATOFKZCN-UHFFFAOYSA-N 2 1 387.955 3.918 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846222342 902796861 /nfs/dbraw/zinc/79/68/61/902796861.db2.gz HKFDHDRZXSBDAW-IGGJEDBVSA-N 2 1 387.568 3.529 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846227271 902802970 /nfs/dbraw/zinc/80/29/70/902802970.db2.gz LYTCPMCGMMPWSL-PWIZWCRZSA-N 2 1 388.943 3.695 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000600842931 902993569 /nfs/dbraw/zinc/99/35/69/902993569.db2.gz NFABURLCWBQWAX-WMZOPIPTSA-N 2 1 380.602 3.551 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000846821629 903241830 /nfs/dbraw/zinc/24/18/30/903241830.db2.gz UAXNHRDOGZGYHZ-OALUTQOASA-N 2 1 376.545 3.607 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000846821629 903241843 /nfs/dbraw/zinc/24/18/43/903241843.db2.gz UAXNHRDOGZGYHZ-OALUTQOASA-N 2 1 376.545 3.607 20 0 GHADMP Cc1cc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000290509562 914712107 /nfs/dbraw/zinc/71/21/07/914712107.db2.gz JNXSESFEDXCBPO-UHFFFAOYSA-N 2 1 392.503 3.728 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000601236795 903494109 /nfs/dbraw/zinc/49/41/09/903494109.db2.gz JMMFCFFCKRXVQZ-UGKGYDQZSA-N 2 1 386.584 3.733 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000779063685 903751506 /nfs/dbraw/zinc/75/15/06/903751506.db2.gz ICGRCEMXQPSQNR-XQBPLPMBSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000779063685 903751516 /nfs/dbraw/zinc/75/15/16/903751516.db2.gz ICGRCEMXQPSQNR-XQBPLPMBSA-N 2 1 387.568 3.886 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(-c2cccs2)n1 ZINC000578370055 903775058 /nfs/dbraw/zinc/77/50/58/903775058.db2.gz OHWZDGOOKWFFLD-KRWDZBQOSA-N 2 1 378.611 3.720 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001171307826 903811466 /nfs/dbraw/zinc/81/14/66/903811466.db2.gz RRLFVSGFFSXRFW-BQFCYCMXSA-N 2 1 392.971 3.957 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000578490911 903898187 /nfs/dbraw/zinc/89/81/87/903898187.db2.gz JTYZYJKNPJTQRT-YADHBBJMSA-N 2 1 378.520 3.756 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000578490911 903898202 /nfs/dbraw/zinc/89/82/02/903898202.db2.gz JTYZYJKNPJTQRT-YADHBBJMSA-N 2 1 378.520 3.756 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000578978158 904273813 /nfs/dbraw/zinc/27/38/13/904273813.db2.gz LIZQYPMWLXHMQC-QGZVFWFLSA-N 2 1 378.520 3.843 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](Cc4ccnc5ccccc45)CC3)C2)cc1 ZINC000579175488 904394885 /nfs/dbraw/zinc/39/48/85/904394885.db2.gz VIKJXNHVQLCLPK-HSZRJFAPSA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4ccnc5ccccc45)CC3)C2)cc1 ZINC000579175488 904394900 /nfs/dbraw/zinc/39/49/00/904394900.db2.gz VIKJXNHVQLCLPK-HSZRJFAPSA-N 2 1 386.543 3.627 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)c1 ZINC001171579565 904848537 /nfs/dbraw/zinc/84/85/37/904848537.db2.gz QDETVUPFLVYXDK-HSZRJFAPSA-N 2 1 392.543 3.893 20 0 GHADMP C[NH+]1C(C)(C)CC([NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC001171631863 904853529 /nfs/dbraw/zinc/85/35/29/904853529.db2.gz OFRZWKOQHJFSLL-UHFFFAOYSA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC001171714742 904942694 /nfs/dbraw/zinc/94/26/94/904942694.db2.gz UJPYEBHZNPBXDO-JUXOCIIHSA-N 2 1 383.511 3.646 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC001171714742 904942705 /nfs/dbraw/zinc/94/27/05/904942705.db2.gz UJPYEBHZNPBXDO-JUXOCIIHSA-N 2 1 383.511 3.646 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171753952 904985089 /nfs/dbraw/zinc/98/50/89/904985089.db2.gz YUWQWAZIVBVSHY-GBAJDQEWSA-N 2 1 381.589 3.775 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876435 905079509 /nfs/dbraw/zinc/07/95/09/905079509.db2.gz BLTJTRVJTFVMQO-NZQKXSOJSA-N 2 1 379.548 3.778 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC[C@H](Oc3ncc(F)cn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171991503 905202803 /nfs/dbraw/zinc/20/28/03/905202803.db2.gz YXPWSNHJCGVVPQ-PMACEKPBSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC[C@H](Oc3ncc(F)cn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171991503 905202812 /nfs/dbraw/zinc/20/28/12/905202812.db2.gz YXPWSNHJCGVVPQ-PMACEKPBSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171991503 905202824 /nfs/dbraw/zinc/20/28/24/905202824.db2.gz YXPWSNHJCGVVPQ-PMACEKPBSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171991503 905202833 /nfs/dbraw/zinc/20/28/33/905202833.db2.gz YXPWSNHJCGVVPQ-PMACEKPBSA-N 2 1 384.499 3.512 20 0 GHADMP COc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977362 905222840 /nfs/dbraw/zinc/22/28/40/905222840.db2.gz AYGQCCMKZZMFMS-FCHUYYIVSA-N 2 1 382.548 3.631 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980428 905233079 /nfs/dbraw/zinc/23/30/79/905233079.db2.gz QOKZEAQZFOQLRF-QHCPKHFHSA-N 3 1 399.623 3.910 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCN1Cc1ccccc1 ZINC001171980428 905233096 /nfs/dbraw/zinc/23/30/96/905233096.db2.gz QOKZEAQZFOQLRF-QHCPKHFHSA-N 2 1 399.623 3.910 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(Oc3cnccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171983852 905237470 /nfs/dbraw/zinc/23/74/70/905237470.db2.gz APMVAXNHRLIZIH-FQEVSTJZSA-N 2 1 380.536 3.763 20 0 GHADMP CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171983218 905239306 /nfs/dbraw/zinc/23/93/06/905239306.db2.gz YJGQMYUKSOBBMT-RTWAWAEBSA-N 2 1 383.580 3.620 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](Oc3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171983955 905241854 /nfs/dbraw/zinc/24/18/54/905241854.db2.gz BGMYPQNZQFFWHG-SFTDATJTSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](Oc3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171983955 905241866 /nfs/dbraw/zinc/24/18/66/905241866.db2.gz BGMYPQNZQFFWHG-SFTDATJTSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](Oc3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983955 905241877 /nfs/dbraw/zinc/24/18/77/905241877.db2.gz BGMYPQNZQFFWHG-SFTDATJTSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](Oc3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171983955 905241891 /nfs/dbraw/zinc/24/18/91/905241891.db2.gz BGMYPQNZQFFWHG-SFTDATJTSA-N 2 1 380.536 3.763 20 0 GHADMP COc1ccc(O[C@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987196 905248272 /nfs/dbraw/zinc/24/82/72/905248272.db2.gz QYEOXUMRPCUFOV-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987196 905248280 /nfs/dbraw/zinc/24/82/80/905248280.db2.gz QYEOXUMRPCUFOV-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987196 905248291 /nfs/dbraw/zinc/24/82/91/905248291.db2.gz QYEOXUMRPCUFOV-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(N3CC(F)(F)C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987965 905250985 /nfs/dbraw/zinc/25/09/85/905250985.db2.gz MYZWYMLPRYCUBP-FQEVSTJZSA-N 2 1 377.523 3.845 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000174452988 905275378 /nfs/dbraw/zinc/27/53/78/905275378.db2.gz MYZHSVZFBLZLLU-UHFFFAOYSA-N 2 1 388.313 3.914 20 0 GHADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075000 905284959 /nfs/dbraw/zinc/28/49/59/905284959.db2.gz NHAAEBUPJBZCNJ-IVAOSVALSA-N 2 1 377.536 3.545 20 0 GHADMP O=C1NCCC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)O1 ZINC001172083246 905295483 /nfs/dbraw/zinc/29/54/83/905295483.db2.gz OZEWDZMAPWTGAO-AERCQKQUSA-N 2 1 383.536 3.537 20 0 GHADMP CN1C(=O)CC[C@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@H]21 ZINC001172087749 905303904 /nfs/dbraw/zinc/30/39/04/905303904.db2.gz LNQODXVHPIHOLQ-USWKJHDZSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@H]21 ZINC001172087749 905303918 /nfs/dbraw/zinc/30/39/18/905303918.db2.gz LNQODXVHPIHOLQ-USWKJHDZSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@H]21 ZINC001172087749 905303933 /nfs/dbraw/zinc/30/39/33/905303933.db2.gz LNQODXVHPIHOLQ-USWKJHDZSA-N 2 1 381.564 3.515 20 0 GHADMP CCN(C(C)=O)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172088739 905305119 /nfs/dbraw/zinc/30/51/19/905305119.db2.gz NYXYUCSXLXODQT-BKFWDETESA-N 2 1 383.580 3.905 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=S)NC(=O)OC(C)(C)C)CC1)C2 ZINC001172127140 905340965 /nfs/dbraw/zinc/34/09/65/905340965.db2.gz GZGBOKBFQGRBFR-FVQHAEBGSA-N 2 1 381.586 3.566 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=S)NC(=O)OC(C)(C)C)CC1)C2 ZINC001172127140 905340992 /nfs/dbraw/zinc/34/09/92/905340992.db2.gz GZGBOKBFQGRBFR-FVQHAEBGSA-N 2 1 381.586 3.566 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3ccccc3C(F)(F)F)CC1)C2 ZINC001172107662 905355121 /nfs/dbraw/zinc/35/51/21/905355121.db2.gz AQVYMLMOXGMVTA-BJWYYQGGSA-N 2 1 381.486 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(F)c(OC3CCOCC3)c(F)c1)C2 ZINC001172115580 905368364 /nfs/dbraw/zinc/36/83/64/905368364.db2.gz SONVDXXKOSULBL-OSYLJGHBSA-N 2 1 380.479 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)c4ccsc4)C3)CC1)C2 ZINC001172116940 905372564 /nfs/dbraw/zinc/37/25/64/905372564.db2.gz HRLYXHZAZXLFPU-ACDBMABISA-N 2 1 387.593 3.692 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117997 905374702 /nfs/dbraw/zinc/37/47/02/905374702.db2.gz UAZNBDXEUCDZSF-KHUIQGCPSA-N 2 1 399.554 3.656 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117997 905374726 /nfs/dbraw/zinc/37/47/26/905374726.db2.gz UAZNBDXEUCDZSF-KHUIQGCPSA-N 2 1 399.554 3.656 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117997 905374744 /nfs/dbraw/zinc/37/47/44/905374744.db2.gz UAZNBDXEUCDZSF-KHUIQGCPSA-N 2 1 399.554 3.656 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C1)C2 ZINC001172117997 905374762 /nfs/dbraw/zinc/37/47/62/905374762.db2.gz UAZNBDXEUCDZSF-KHUIQGCPSA-N 2 1 399.554 3.656 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123314 905383537 /nfs/dbraw/zinc/38/35/37/905383537.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001172123314 905383548 /nfs/dbraw/zinc/38/35/48/905383548.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001172123314 905383561 /nfs/dbraw/zinc/38/35/61/905383561.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 2 1 382.596 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123314 905383574 /nfs/dbraw/zinc/38/35/74/905383574.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 3 1 382.596 3.629 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123314 905383589 /nfs/dbraw/zinc/38/35/89/905383589.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123314 905383599 /nfs/dbraw/zinc/38/35/99/905383599.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123314 905383614 /nfs/dbraw/zinc/38/36/14/905383614.db2.gz ZNDUINNQBYODKM-POTYRQCXSA-N 3 1 382.596 3.629 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000175456143 905568652 /nfs/dbraw/zinc/56/86/52/905568652.db2.gz TWABOXFYOVMBNR-WIYYLYMNSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000175456143 905568670 /nfs/dbraw/zinc/56/86/70/905568670.db2.gz TWABOXFYOVMBNR-WIYYLYMNSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000175456143 905568683 /nfs/dbraw/zinc/56/86/83/905568683.db2.gz TWABOXFYOVMBNR-WIYYLYMNSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000175456143 905568716 /nfs/dbraw/zinc/56/87/16/905568716.db2.gz TWABOXFYOVMBNR-WIYYLYMNSA-N 2 1 398.551 3.536 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001172467349 905579284 /nfs/dbraw/zinc/57/92/84/905579284.db2.gz QMFVURKHDVFNQO-UNMCSNQZSA-N 2 1 389.584 3.588 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172518559 905612861 /nfs/dbraw/zinc/61/28/61/905612861.db2.gz ZRCXMXHVMATNPT-UDIDDNNKSA-N 2 1 383.580 3.639 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)CC2 ZINC001172831020 905861728 /nfs/dbraw/zinc/86/17/28/905861728.db2.gz FCECSPIFQJIEIR-JOCHJYFZSA-N 2 1 378.564 3.593 20 0 GHADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCc3cccc(C(F)(F)F)c3)CCCN2C)cn1 ZINC000628242355 906026336 /nfs/dbraw/zinc/02/63/36/906026336.db2.gz BMCXTFOADWGZHH-FXAWDEMLSA-N 2 1 394.485 3.996 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001172992633 906103900 /nfs/dbraw/zinc/10/39/00/906103900.db2.gz CLDWWHJXMMUGIV-HXUWFJFHSA-N 2 1 395.522 3.542 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)CC1 ZINC001173110282 906197364 /nfs/dbraw/zinc/19/73/64/906197364.db2.gz JGQYBYTWXZCSBT-YNIZLOQISA-N 2 1 376.614 3.692 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)CC1 ZINC001173111795 906198780 /nfs/dbraw/zinc/19/87/80/906198780.db2.gz LTKDDLCNBGXPJF-UPSGKMMVSA-N 2 1 387.568 3.737 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)CC1 ZINC001173111535 906199209 /nfs/dbraw/zinc/19/92/09/906199209.db2.gz ZEMWSESORQJBNP-YABDQXBESA-N 2 1 387.543 3.908 20 0 GHADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3C[C@@H](Oc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001173112205 906201210 /nfs/dbraw/zinc/20/12/10/906201210.db2.gz SRDNXRSPJWREPX-ICOILDSSSA-N 2 1 385.596 3.785 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173133775 906215383 /nfs/dbraw/zinc/21/53/83/906215383.db2.gz FCRAEAHBUOCBKZ-UXHICEINSA-N 2 1 397.588 3.756 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCc5ncsc5C4)CC3)C2)cc1 ZINC001173136024 906216018 /nfs/dbraw/zinc/21/60/18/906216018.db2.gz CYXGHPXMUPYWFH-FQEVSTJZSA-N 2 1 397.588 3.676 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1)CO2 ZINC001173165028 906221478 /nfs/dbraw/zinc/22/14/78/906221478.db2.gz BFJCJPTYLXMZOP-FQEVSTJZSA-N 2 1 384.495 3.734 20 0 GHADMP COc1cccc2c1C[C@H](N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)CO2 ZINC001173165028 906221495 /nfs/dbraw/zinc/22/14/95/906221495.db2.gz BFJCJPTYLXMZOP-FQEVSTJZSA-N 2 1 384.495 3.734 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)CO2 ZINC001173167192 906290770 /nfs/dbraw/zinc/29/07/70/906290770.db2.gz DFRIOMWMWQRMJQ-YUXRMXEZSA-N 2 1 394.559 3.894 20 0 GHADMP COc1cccc2c1C[C@@H]([N@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)CO2 ZINC001173167192 906290781 /nfs/dbraw/zinc/29/07/81/906290781.db2.gz DFRIOMWMWQRMJQ-YUXRMXEZSA-N 2 1 394.559 3.894 20 0 GHADMP COc1cccc2c1C[C@@H]([NH+]1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)CO2 ZINC001173167192 906290792 /nfs/dbraw/zinc/29/07/92/906290792.db2.gz DFRIOMWMWQRMJQ-YUXRMXEZSA-N 2 1 394.559 3.894 20 0 GHADMP COc1cccc2c1C[C@@H]([NH+]1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)CO2 ZINC001173167192 906290802 /nfs/dbraw/zinc/29/08/02/906290802.db2.gz DFRIOMWMWQRMJQ-YUXRMXEZSA-N 2 1 394.559 3.894 20 0 GHADMP CCSC[C@@H](C)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001173287614 906369055 /nfs/dbraw/zinc/36/90/55/906369055.db2.gz OARKIIHYIOFGBF-MRXNPFEDSA-N 2 1 385.618 3.582 20 0 GHADMP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1Cl ZINC000180139439 906698967 /nfs/dbraw/zinc/69/89/67/906698967.db2.gz YYABPBYWJIHARJ-IHWFROFDSA-N 2 1 397.950 3.855 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173781348 906705729 /nfs/dbraw/zinc/70/57/29/906705729.db2.gz IUJRDJUOBXTQFW-UHFFFAOYSA-N 2 1 383.939 3.747 20 0 GHADMP Cc1cn2c([nH+]1)C[C@H](c1nc(-c3cccc(C[NH+]4CCCCC4)c3)no1)CC2 ZINC000629354879 906730875 /nfs/dbraw/zinc/73/08/75/906730875.db2.gz DVFLROXMRNRWOA-LJQANCHMSA-N 2 1 377.492 3.957 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1C(F)(F)F ZINC000629559678 906867613 /nfs/dbraw/zinc/86/76/13/906867613.db2.gz BNFFXYURZHRNGJ-LPHOPBHVSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1C(F)(F)F ZINC000629559678 906867621 /nfs/dbraw/zinc/86/76/21/906867621.db2.gz BNFFXYURZHRNGJ-LPHOPBHVSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1C(F)(F)F ZINC000629563019 906868505 /nfs/dbraw/zinc/86/85/05/906868505.db2.gz OSUXYZIMTYKEPW-IEBWSBKVSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1C(F)(F)F ZINC000629563019 906868522 /nfs/dbraw/zinc/86/85/22/906868522.db2.gz OSUXYZIMTYKEPW-IEBWSBKVSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1C(F)(F)F ZINC000629563023 906869425 /nfs/dbraw/zinc/86/94/25/906869425.db2.gz OSUXYZIMTYKEPW-PKOBYXMFSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1C(F)(F)F ZINC000629563023 906869429 /nfs/dbraw/zinc/86/94/29/906869429.db2.gz OSUXYZIMTYKEPW-PKOBYXMFSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629564198 906870940 /nfs/dbraw/zinc/87/09/40/906870940.db2.gz RZPDRXFIDZJYEW-HKUYNNGSSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629564198 906870947 /nfs/dbraw/zinc/87/09/47/906870947.db2.gz RZPDRXFIDZJYEW-HKUYNNGSSA-N 2 1 379.426 3.620 20 0 GHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)nc2)c1 ZINC000629702273 906968755 /nfs/dbraw/zinc/96/87/55/906968755.db2.gz LCHSRESXKHDVEK-LAUBAEHRSA-N 2 1 378.520 3.671 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181535349 907020252 /nfs/dbraw/zinc/02/02/52/907020252.db2.gz LXAILYJHNSDBTO-UHFFFAOYSA-N 2 1 380.540 3.624 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(C2CC2)n1C1CC1 ZINC000181535349 907020264 /nfs/dbraw/zinc/02/02/64/907020264.db2.gz LXAILYJHNSDBTO-UHFFFAOYSA-N 2 1 380.540 3.624 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OCc1cccnc1 ZINC000299330225 921294737 /nfs/dbraw/zinc/29/47/37/921294737.db2.gz KUJVORMVXRALCC-UHFFFAOYSA-N 2 1 381.520 3.776 20 0 GHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185959 907345261 /nfs/dbraw/zinc/34/52/61/907345261.db2.gz UQTYRWQQPZOAPC-BZUAXINKSA-N 2 1 378.948 3.695 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ncc(Br)cc2Cl)cc1 ZINC000631044027 907575635 /nfs/dbraw/zinc/57/56/35/907575635.db2.gz BOFVVTNOSNPNDH-UHFFFAOYSA-N 2 1 398.732 3.728 20 0 GHADMP O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001175717071 907700683 /nfs/dbraw/zinc/70/06/83/907700683.db2.gz WYIKEABPLWCOGQ-JOCHJYFZSA-N 2 1 392.547 3.918 20 0 GHADMP C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000186658457 907962453 /nfs/dbraw/zinc/96/24/53/907962453.db2.gz FPSLSNOXFZSQPJ-GAJHUEQPSA-N 2 1 396.510 3.940 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(OCCC[NH+](C)C)nc3)c2C1 ZINC001176355197 908069733 /nfs/dbraw/zinc/06/97/33/908069733.db2.gz NVERTIBFXZIELY-UHFFFAOYSA-N 2 1 389.569 3.568 20 0 GHADMP Brc1cccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCOCC2)c1 ZINC000191494336 908632226 /nfs/dbraw/zinc/63/22/26/908632226.db2.gz LUQFFWWJWPDYIN-YWZLYKJASA-N 2 1 393.369 3.991 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000192791105 908824998 /nfs/dbraw/zinc/82/49/98/908824998.db2.gz WNIGEULRWKPCPN-NOTZXAQLSA-N 2 1 398.572 3.516 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000193971448 908905391 /nfs/dbraw/zinc/90/53/91/908905391.db2.gz NTJIYCUAMZCBBV-UHFFFAOYSA-N 2 1 394.401 3.702 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001178728644 909223274 /nfs/dbraw/zinc/22/32/74/909223274.db2.gz KHDMXCPLSKVVBA-AGILITTLSA-N 2 1 391.559 3.708 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)C1 ZINC001178916373 909314386 /nfs/dbraw/zinc/31/43/86/909314386.db2.gz FAYCVDPWVUDYLV-AWEZNQCLSA-N 2 1 377.330 3.661 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000268048035 909752535 /nfs/dbraw/zinc/75/25/35/909752535.db2.gz SYWQEHHNDQFTNN-OAHLLOKOSA-N 2 1 377.579 3.513 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000245843021 909956406 /nfs/dbraw/zinc/95/64/06/909956406.db2.gz DAFPPTTXVOLZQR-QHAWAJNXSA-N 2 1 387.568 3.586 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000637849981 909986713 /nfs/dbraw/zinc/98/67/13/909986713.db2.gz TXKSJEHEKQLFGM-OYNPSCLESA-N 2 1 397.588 3.550 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000268785977 910015820 /nfs/dbraw/zinc/01/58/20/910015820.db2.gz VUCHZDSWDUWVBG-RDPSFJRHSA-N 2 1 391.559 3.809 20 0 GHADMP [NH3+]C1(CC(=O)Nc2cccc(-c3ncco3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000638277205 910102238 /nfs/dbraw/zinc/10/22/38/910102238.db2.gz KRLQLTRMQJJYHU-UHFFFAOYSA-N 2 1 390.487 3.664 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000638289701 910106431 /nfs/dbraw/zinc/10/64/31/910106431.db2.gz AGYPKPMPAIAPEH-RTBURBONSA-N 2 1 380.374 3.658 20 0 GHADMP COCC(=O)Nc1cccc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638331666 910120299 /nfs/dbraw/zinc/12/02/99/910120299.db2.gz JPKFZHHDMMGGTM-NZQKXSOJSA-N 2 1 393.531 3.729 20 0 GHADMP COCC(=O)Nc1cccc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638331666 910120306 /nfs/dbraw/zinc/12/03/06/910120306.db2.gz JPKFZHHDMMGGTM-NZQKXSOJSA-N 2 1 393.531 3.729 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638375000 910135676 /nfs/dbraw/zinc/13/56/76/910135676.db2.gz UJOCMJXOJYLOOE-UNMCSNQZSA-N 2 1 399.560 3.516 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638375000 910135687 /nfs/dbraw/zinc/13/56/87/910135687.db2.gz UJOCMJXOJYLOOE-UNMCSNQZSA-N 2 1 399.560 3.516 20 0 GHADMP COc1cc2cccnc2c(N(C(=O)C[N@@H+](C)C2CCCC2)[C@H](C)CCC[NH3+])c1 ZINC001180630116 910277059 /nfs/dbraw/zinc/27/70/59/910277059.db2.gz KASZGIGGOJEXED-QGZVFWFLSA-N 2 1 398.551 3.578 20 0 GHADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000638976981 910287390 /nfs/dbraw/zinc/28/73/90/910287390.db2.gz NLCHCSZZGVYZFX-SFHVURJKSA-N 2 1 394.346 3.822 20 0 GHADMP C[N@@H+]1CCC[C@](C)(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001180821356 910362050 /nfs/dbraw/zinc/36/20/50/910362050.db2.gz ZQSAPWPIRWXOAK-FQEVSTJZSA-N 2 1 398.378 3.806 20 0 GHADMP C[N@H+]1CCC[C@](C)(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001180821356 910362073 /nfs/dbraw/zinc/36/20/73/910362073.db2.gz ZQSAPWPIRWXOAK-FQEVSTJZSA-N 2 1 398.378 3.806 20 0 GHADMP CC(CC[NH+]1CCC[C@H]1c1ncccn1)CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639863660 910709495 /nfs/dbraw/zinc/70/94/95/910709495.db2.gz AGZRWPUUGURMFL-PMACEKPBSA-N 2 1 380.540 3.657 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001181471600 910784052 /nfs/dbraw/zinc/78/40/52/910784052.db2.gz ISBOOPAPIKTDFS-IYWMVGAKSA-N 2 1 379.589 3.875 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000271435719 910903986 /nfs/dbraw/zinc/90/39/86/910903986.db2.gz FKKAUOXODDGPKI-HYBUGGRVSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000271435719 910904002 /nfs/dbraw/zinc/90/40/02/910904002.db2.gz FKKAUOXODDGPKI-HYBUGGRVSA-N 2 1 391.559 3.952 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001181869230 911049614 /nfs/dbraw/zinc/04/96/14/911049614.db2.gz UNQCTIBJUMVODT-OVKIHRCZSA-N 2 1 391.559 3.602 20 0 GHADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000640531113 911052116 /nfs/dbraw/zinc/05/21/16/911052116.db2.gz DUPXZFDDRLUSKL-UHFFFAOYSA-N 2 1 397.317 3.790 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000640531113 911052134 /nfs/dbraw/zinc/05/21/34/911052134.db2.gz DUPXZFDDRLUSKL-UHFFFAOYSA-N 2 1 397.317 3.790 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640611877 911084554 /nfs/dbraw/zinc/08/45/54/911084554.db2.gz KXZAKYWWFUSUOJ-GOSISDBHSA-N 2 1 387.572 3.652 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640611877 911084575 /nfs/dbraw/zinc/08/45/75/911084575.db2.gz KXZAKYWWFUSUOJ-GOSISDBHSA-N 2 1 387.572 3.652 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640625680 911090610 /nfs/dbraw/zinc/09/06/10/911090610.db2.gz YGXUAHDYVJQEHJ-UHFFFAOYSA-N 2 1 375.561 3.509 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276525 911442684 /nfs/dbraw/zinc/44/26/84/911442684.db2.gz WWIKADUWMHTBSF-FSSWDIPSSA-N 2 1 383.580 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276525 911442694 /nfs/dbraw/zinc/44/26/94/911442694.db2.gz WWIKADUWMHTBSF-FSSWDIPSSA-N 2 1 383.580 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276525 911442705 /nfs/dbraw/zinc/44/27/05/911442705.db2.gz WWIKADUWMHTBSF-FSSWDIPSSA-N 2 1 383.580 3.735 20 0 GHADMP CSc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)o1 ZINC000641715443 911493020 /nfs/dbraw/zinc/49/30/20/911493020.db2.gz MGDLHEHYTKCJAP-UHFFFAOYSA-N 2 1 390.549 3.781 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001182656040 911956740 /nfs/dbraw/zinc/95/67/40/911956740.db2.gz IWJVYRQMTIBZBI-TZYHBYERSA-N 2 1 393.531 3.711 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001182656040 911956752 /nfs/dbraw/zinc/95/67/52/911956752.db2.gz IWJVYRQMTIBZBI-TZYHBYERSA-N 2 1 393.531 3.711 20 0 GHADMP CCC(CC)(CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000290942405 914879411 /nfs/dbraw/zinc/87/94/11/914879411.db2.gz ZWFYVCJZUABAGF-PXNSSMCTSA-N 2 1 382.552 3.780 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947389 914944604 /nfs/dbraw/zinc/94/46/04/914944604.db2.gz YTADPAODSXGCQC-KMDXXIMOSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947389 914944617 /nfs/dbraw/zinc/94/46/17/914944617.db2.gz YTADPAODSXGCQC-KMDXXIMOSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947389 914944634 /nfs/dbraw/zinc/94/46/34/914944634.db2.gz YTADPAODSXGCQC-KMDXXIMOSA-N 2 1 391.559 3.503 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2C)cc1 ZINC000647543417 915319160 /nfs/dbraw/zinc/31/91/60/915319160.db2.gz NBEHECQTERDZNX-FCHUYYIVSA-N 2 1 396.579 3.768 20 0 GHADMP C[C@@H]1[C@H]([NH+](C)C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000647843826 915411643 /nfs/dbraw/zinc/41/16/43/915411643.db2.gz HOLGUUAFVUJAJH-CRAIPNDOSA-N 2 1 395.576 3.949 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cc1ccccc1 ZINC000647976611 915457577 /nfs/dbraw/zinc/45/75/77/915457577.db2.gz QYTYDEMYGMWONM-GOTSBHOMSA-N 2 1 391.559 3.928 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Br)c1OC ZINC000647977919 915459945 /nfs/dbraw/zinc/45/99/45/915459945.db2.gz JSYOHYMEDRXVQR-LSDHHAIUSA-N 2 1 397.357 3.678 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377965 915643030 /nfs/dbraw/zinc/64/30/30/915643030.db2.gz ZOWBOSVZKVQCHC-SFYKDHMMSA-N 2 1 379.548 3.950 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377965 915643038 /nfs/dbraw/zinc/64/30/38/915643038.db2.gz ZOWBOSVZKVQCHC-SFYKDHMMSA-N 2 1 379.548 3.950 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000648758410 915866672 /nfs/dbraw/zinc/86/66/72/915866672.db2.gz SQTCODPVVPNVQI-KRWDZBQOSA-N 2 1 386.565 3.893 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000648791618 915881952 /nfs/dbraw/zinc/88/19/52/915881952.db2.gz GNFNOTLHVXGIHK-QKNQBKEWSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000648791618 915881969 /nfs/dbraw/zinc/88/19/69/915881969.db2.gz GNFNOTLHVXGIHK-QKNQBKEWSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000648863722 915914544 /nfs/dbraw/zinc/91/45/44/915914544.db2.gz UHEFGJVNLNTCPT-RHSMWYFYSA-N 2 1 396.457 3.835 20 0 GHADMP CC(C)N(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649065366 916009734 /nfs/dbraw/zinc/00/97/34/916009734.db2.gz XXKGHBJEUMKWKJ-HSZRJFAPSA-N 2 1 379.548 3.873 20 0 GHADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000649413683 916145309 /nfs/dbraw/zinc/14/53/09/916145309.db2.gz ZFGMRQFHNJAWJH-UHFFFAOYSA-N 2 1 387.616 3.979 20 0 GHADMP Cn1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)cs2)cn1 ZINC000649417142 916147792 /nfs/dbraw/zinc/14/77/92/916147792.db2.gz YXQSETXTIKGWCZ-WIYYLYMNSA-N 2 1 395.576 3.716 20 0 GHADMP Cn1cc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)cs2)cn1 ZINC000649417142 916147804 /nfs/dbraw/zinc/14/78/04/916147804.db2.gz YXQSETXTIKGWCZ-WIYYLYMNSA-N 2 1 395.576 3.716 20 0 GHADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)CC1 ZINC000649695635 916336916 /nfs/dbraw/zinc/33/69/16/916336916.db2.gz BXSCPAJBZOFPAQ-UHFFFAOYSA-N 2 1 399.410 3.532 20 0 GHADMP C[C@H](NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000650415898 916965693 /nfs/dbraw/zinc/96/56/93/916965693.db2.gz LQGKMFFVQMYCSU-KRWDZBQOSA-N 2 1 388.581 3.646 20 0 GHADMP CCOC[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@@H](COCC)C3)ccc2F)C1 ZINC000294865708 917019610 /nfs/dbraw/zinc/01/96/10/917019610.db2.gz DIUIIJRXKMRQIH-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP CCOC[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@@H](COCC)C3)c2)C1 ZINC000294865708 917019626 /nfs/dbraw/zinc/01/96/26/917019626.db2.gz DIUIIJRXKMRQIH-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP CCOC[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@@H](COCC)C3)c2)C1 ZINC000294865708 917019640 /nfs/dbraw/zinc/01/96/40/917019640.db2.gz DIUIIJRXKMRQIH-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708153 917244064 /nfs/dbraw/zinc/24/40/64/917244064.db2.gz UKEAWGRGHNEOJR-IAOVAPTHSA-N 2 1 399.398 3.889 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000651211719 917517946 /nfs/dbraw/zinc/51/79/46/917517946.db2.gz WLOBSOWHGMSTGZ-NJYVYQBISA-N 2 1 377.523 3.749 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000651252599 917550557 /nfs/dbraw/zinc/55/05/57/917550557.db2.gz LEUZNYTZWMRCFK-XQUALCHDSA-N 2 1 395.591 3.810 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccccc3F)n2)C1 ZINC000652362467 917882702 /nfs/dbraw/zinc/88/27/02/917882702.db2.gz HYYKZGYPZQKZSB-NIKGAXFTSA-N 2 1 375.513 3.810 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000363372372 918166056 /nfs/dbraw/zinc/16/60/56/918166056.db2.gz WIHHDTSYOQIABH-RBUKOAKNSA-N 2 1 385.508 3.595 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000363372372 918166071 /nfs/dbraw/zinc/16/60/71/918166071.db2.gz WIHHDTSYOQIABH-RBUKOAKNSA-N 2 1 385.508 3.595 20 0 GHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000796574559 918301893 /nfs/dbraw/zinc/30/18/93/918301893.db2.gz FSFYGDWEKIZBQL-UHFFFAOYSA-N 2 1 398.507 3.759 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)C1C[NH+](C2CCOCC2)C1)C1CCCCC1 ZINC000900092920 919836324 /nfs/dbraw/zinc/83/63/24/919836324.db2.gz RVJYAAICJFBIBL-UHFFFAOYSA-N 2 1 385.552 3.500 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000902727804 922440999 /nfs/dbraw/zinc/44/09/99/922440999.db2.gz CQQPNUCJUSKZBQ-LJQANCHMSA-N 2 1 376.504 3.555 20 0 GHADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)ccc21 ZINC000368090749 922467767 /nfs/dbraw/zinc/46/77/67/922467767.db2.gz UBJFWHFCDPCZMJ-IBGZPJMESA-N 2 1 393.535 3.689 20 0 GHADMP c1ccc([C@H](CCc2cccnc2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000902802137 922505935 /nfs/dbraw/zinc/50/59/35/922505935.db2.gz INWXXYAHWFGIBP-ZEQRLZLVSA-N 2 1 379.548 3.989 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000903213558 922858923 /nfs/dbraw/zinc/85/89/23/922858923.db2.gz PRPMGHKQMPWEMM-SHFXZJCHSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000903213561 922859316 /nfs/dbraw/zinc/85/93/16/922859316.db2.gz PRPMGHKQMPWEMM-XIHRNRATSA-N 2 1 377.573 3.769 20 0 GHADMP c1c[nH]c([C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc2)n1 ZINC000903456982 923037249 /nfs/dbraw/zinc/03/72/49/923037249.db2.gz ZLWREOQHTJMFLR-WBADGQHESA-N 2 1 387.531 3.784 20 0 GHADMP c1c[nH]c([C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc2)n1 ZINC000903456982 923037267 /nfs/dbraw/zinc/03/72/67/923037267.db2.gz ZLWREOQHTJMFLR-WBADGQHESA-N 2 1 387.531 3.784 20 0 GHADMP c1ccc(C(OCC[N@@H+]2CC[NH2+]CCC23CCOCC3)c2ccccc2)cc1 ZINC000903815736 923310511 /nfs/dbraw/zinc/31/05/11/923310511.db2.gz RMZNJZNSGWZVAM-UHFFFAOYSA-N 2 1 380.532 3.637 20 0 GHADMP c1ccc(C(OCC[N@H+]2CC[NH2+]CCC23CCOCC3)c2ccccc2)cc1 ZINC000903815736 923310524 /nfs/dbraw/zinc/31/05/24/923310524.db2.gz RMZNJZNSGWZVAM-UHFFFAOYSA-N 2 1 380.532 3.637 20 0 GHADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1csc(-c3ccc(Br)cc3)n1)C2 ZINC000903842639 923335060 /nfs/dbraw/zinc/33/50/60/923335060.db2.gz RETHZRNCKQATKO-PEYYIBSZSA-N 2 1 378.339 3.884 20 0 GHADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1csc(-c3ccc(Br)cc3)n1)C2 ZINC000903842639 923335078 /nfs/dbraw/zinc/33/50/78/923335078.db2.gz RETHZRNCKQATKO-PEYYIBSZSA-N 2 1 378.339 3.884 20 0 GHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903957443 923436902 /nfs/dbraw/zinc/43/69/02/923436902.db2.gz RABYTECCGFYCLA-MRXNPFEDSA-N 2 1 382.886 3.536 20 0 GHADMP Cc1cccc(CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000370216351 923964293 /nfs/dbraw/zinc/96/42/93/923964293.db2.gz PYNNXEJJZRCHGV-UHFFFAOYSA-N 2 1 385.596 3.582 20 0 GHADMP CC(C)[NH+](CC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000676872295 924120800 /nfs/dbraw/zinc/12/08/00/924120800.db2.gz SIDHAXPHZVLRPE-OALUTQOASA-N 2 1 385.552 3.692 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000370725730 924276168 /nfs/dbraw/zinc/27/61/68/924276168.db2.gz VKDITCMKFCDKHQ-VABKMULXSA-N 2 1 394.563 3.616 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000678125446 924619153 /nfs/dbraw/zinc/61/91/53/924619153.db2.gz VMLMEIUXKWBYLT-NRFANRHFSA-N 2 1 382.504 3.735 20 0 GHADMP c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343708 924735845 /nfs/dbraw/zinc/73/58/45/924735845.db2.gz XSPYRCSFQGMGBM-OALUTQOASA-N 2 1 384.483 3.937 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000678542049 924817712 /nfs/dbraw/zinc/81/77/12/924817712.db2.gz MNMZAOMQEQGMMA-GHTZIAJQSA-N 2 1 377.536 3.909 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000678605149 924837007 /nfs/dbraw/zinc/83/70/07/924837007.db2.gz HLTDQXHFELLOHQ-SVFBPWRDSA-N 2 1 390.535 3.614 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc4c(s3)CCCC4)CC2)CC1 ZINC000678992073 924992579 /nfs/dbraw/zinc/99/25/79/924992579.db2.gz BBLXLPMZMMQISN-UHFFFAOYSA-N 2 1 390.641 3.650 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000372017125 925070807 /nfs/dbraw/zinc/07/08/07/925070807.db2.gz LNBANBHYYOZPKJ-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679994640 925326341 /nfs/dbraw/zinc/32/63/41/925326341.db2.gz LXKMNPBWFUGJTQ-DCTVWTRXSA-N 2 1 393.934 3.746 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679994640 925326351 /nfs/dbraw/zinc/32/63/51/925326351.db2.gz LXKMNPBWFUGJTQ-DCTVWTRXSA-N 2 1 393.934 3.746 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@@H]21 ZINC001137401832 925399362 /nfs/dbraw/zinc/39/93/62/925399362.db2.gz ISOHFDSGKMHHRN-BULFRSBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@@H]21 ZINC001137401832 925399370 /nfs/dbraw/zinc/39/93/70/925399370.db2.gz ISOHFDSGKMHHRN-BULFRSBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4ncccc34)C[C@@H]21 ZINC001137401832 925399379 /nfs/dbraw/zinc/39/93/79/925399379.db2.gz ISOHFDSGKMHHRN-BULFRSBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4ncccc34)C[C@@H]21 ZINC001137401832 925399390 /nfs/dbraw/zinc/39/93/90/925399390.db2.gz ISOHFDSGKMHHRN-BULFRSBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000681081720 925717142 /nfs/dbraw/zinc/71/71/42/925717142.db2.gz FKIQXRBTBTZXNP-BEFAXECRSA-N 2 1 381.358 3.613 20 0 GHADMP Cc1noc(C)c1CN1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411356355 926328957 /nfs/dbraw/zinc/32/89/57/926328957.db2.gz RDNASFDXYBALMR-UHFFFAOYSA-N 2 1 382.552 3.595 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000383314206 926357361 /nfs/dbraw/zinc/35/73/61/926357361.db2.gz ARUBZYSUDRUGTC-HXUWFJFHSA-N 2 1 389.337 3.737 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 ZINC000411444464 926397282 /nfs/dbraw/zinc/39/72/82/926397282.db2.gz NFACCJXOCMMONN-WOJBJXKFSA-N 2 1 397.563 3.633 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390836914 926397822 /nfs/dbraw/zinc/39/78/22/926397822.db2.gz ABSAUNXHJFRYGX-PMACEKPBSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390836914 926397830 /nfs/dbraw/zinc/39/78/30/926397830.db2.gz ABSAUNXHJFRYGX-PMACEKPBSA-N 2 1 387.568 3.886 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000543813970 926408508 /nfs/dbraw/zinc/40/85/08/926408508.db2.gz QFSMIWZKWWRSAZ-CVEARBPZSA-N 2 1 380.467 3.848 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000411477729 926445601 /nfs/dbraw/zinc/44/56/01/926445601.db2.gz QMKRMAQLSZWWBX-OXQOHEQNSA-N 2 1 397.544 3.993 20 0 GHADMP CSc1ccccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518828 926485690 /nfs/dbraw/zinc/48/56/90/926485690.db2.gz QKSVRFDCYCQZQP-IAGOWNOFSA-N 2 1 375.582 3.980 20 0 GHADMP C[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411723725 926692471 /nfs/dbraw/zinc/69/24/71/926692471.db2.gz XPEXIURKAOZBMX-QNLWVQNGSA-N 2 1 397.588 3.901 20 0 GHADMP C[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411723725 926692477 /nfs/dbraw/zinc/69/24/77/926692477.db2.gz XPEXIURKAOZBMX-QNLWVQNGSA-N 2 1 397.588 3.901 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000749590364 927205164 /nfs/dbraw/zinc/20/51/64/927205164.db2.gz QPYILIOZGDPIEC-KCLUMXDGSA-N 2 1 387.568 3.727 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1ccccc1 ZINC000412223103 927224807 /nfs/dbraw/zinc/22/48/07/927224807.db2.gz TUOWWZYUFYYLOI-PKTZIBPZSA-N 2 1 377.532 3.848 20 0 GHADMP O=C1N(CCn2ccnc2)CC[C@]12CCC[N@H+](Cc1csc(Cl)c1)CC2 ZINC001276205875 927344439 /nfs/dbraw/zinc/34/44/39/927344439.db2.gz UGZUWQPGNUEGBE-LJQANCHMSA-N 2 1 392.956 3.503 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc2ccccc2c1 ZINC000751012801 927980083 /nfs/dbraw/zinc/98/00/83/927980083.db2.gz ZYPIYTBXZLCCJA-NRFANRHFSA-N 2 1 384.593 3.885 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(Cl)c1C ZINC000751008969 927980297 /nfs/dbraw/zinc/98/02/97/927980297.db2.gz AKWDEOPAKMBQNG-INIZCTEOSA-N 2 1 383.005 3.693 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000544264683 928997224 /nfs/dbraw/zinc/99/72/24/928997224.db2.gz AVGZFGQIYPXMFO-HNNXBMFYSA-N 2 1 376.570 3.503 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000544264683 928997232 /nfs/dbraw/zinc/99/72/32/928997232.db2.gz AVGZFGQIYPXMFO-HNNXBMFYSA-N 2 1 376.570 3.503 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)sc2C1 ZINC000544264683 928997245 /nfs/dbraw/zinc/99/72/45/928997245.db2.gz AVGZFGQIYPXMFO-HNNXBMFYSA-N 2 1 376.570 3.503 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)sc2C1 ZINC000544264683 928997255 /nfs/dbraw/zinc/99/72/55/928997255.db2.gz AVGZFGQIYPXMFO-HNNXBMFYSA-N 2 1 376.570 3.503 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000467540705 929178609 /nfs/dbraw/zinc/17/86/09/929178609.db2.gz BWPQUSJJMXSERG-XXBNENTESA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000467540705 929178610 /nfs/dbraw/zinc/17/86/10/929178610.db2.gz BWPQUSJJMXSERG-XXBNENTESA-N 2 1 377.532 3.603 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)C(N)=O)C1CCCCC1 ZINC000544639054 929377157 /nfs/dbraw/zinc/37/71/57/929377157.db2.gz AMVHQAFBYRSTER-HSZRJFAPSA-N 2 1 379.548 3.637 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000753547763 929406374 /nfs/dbraw/zinc/40/63/74/929406374.db2.gz VRLSSJIQAQIKAP-OXJNMPFZSA-N 2 1 399.539 3.701 20 0 GHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000753643013 929458046 /nfs/dbraw/zinc/45/80/46/929458046.db2.gz HCLGAESGTFNGIO-GOSISDBHSA-N 2 1 388.552 3.934 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(-c3ccccc3)nn2)C[N@H+]1Cc1ccccc1 ZINC000753850348 929563071 /nfs/dbraw/zinc/56/30/71/929563071.db2.gz KTVZKDDURMLPOE-CTNGQTDRSA-N 2 1 375.520 3.658 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)C2)cc1 ZINC000546057292 929812931 /nfs/dbraw/zinc/81/29/31/929812931.db2.gz XUIZVMVVOGAIMV-DEOSSOPVSA-N 2 1 391.563 3.959 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)C2)cc1 ZINC000546057292 929812940 /nfs/dbraw/zinc/81/29/40/929812940.db2.gz XUIZVMVVOGAIMV-DEOSSOPVSA-N 2 1 391.563 3.959 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440743 929890006 /nfs/dbraw/zinc/89/00/06/929890006.db2.gz MNKJLJQSFOHVLJ-FGZHOGPDSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440743 929890010 /nfs/dbraw/zinc/89/00/10/929890010.db2.gz MNKJLJQSFOHVLJ-FGZHOGPDSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440743 929890013 /nfs/dbraw/zinc/89/00/13/929890013.db2.gz MNKJLJQSFOHVLJ-FGZHOGPDSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000546181005 929933398 /nfs/dbraw/zinc/93/33/98/929933398.db2.gz PGLIZDQOIABBQJ-VGOFRKELSA-N 2 1 399.966 3.758 20 0 GHADMP COCCn1cc2c(n1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CCC2 ZINC000546268350 930006783 /nfs/dbraw/zinc/00/67/83/930006783.db2.gz WTGMKHSYFXPKRM-VLCRHTCISA-N 2 1 382.552 3.550 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469756660 930138647 /nfs/dbraw/zinc/13/86/47/930138647.db2.gz HXVYHAARFHUXGV-VAMGGRTRSA-N 2 1 391.559 3.710 20 0 GHADMP CCOc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc(Br)c1OC(F)F ZINC000469856352 930210248 /nfs/dbraw/zinc/21/02/48/930210248.db2.gz ZNHABGBVIXQMJU-UHFFFAOYSA-N 2 1 395.288 3.866 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000469874165 930226783 /nfs/dbraw/zinc/22/67/83/930226783.db2.gz VGNRVHAIRLYYQG-WZONZLPQSA-N 2 1 395.522 3.573 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000759147954 930289308 /nfs/dbraw/zinc/28/93/08/930289308.db2.gz VIFFJLIITRJWTB-MRXNPFEDSA-N 2 1 381.586 3.853 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000759147954 930289316 /nfs/dbraw/zinc/28/93/16/930289316.db2.gz VIFFJLIITRJWTB-MRXNPFEDSA-N 2 1 381.586 3.853 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000781337793 930801576 /nfs/dbraw/zinc/80/15/76/930801576.db2.gz LMBUJGZUSDJZPI-YJBOKZPZSA-N 2 1 387.515 3.756 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000781337793 930801583 /nfs/dbraw/zinc/80/15/83/930801583.db2.gz LMBUJGZUSDJZPI-YJBOKZPZSA-N 2 1 387.515 3.756 20 0 GHADMP C[C@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781403662 930832532 /nfs/dbraw/zinc/83/25/32/930832532.db2.gz ZVFITGSTTZMPBC-RXVVDRJESA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000781424753 930840293 /nfs/dbraw/zinc/84/02/93/930840293.db2.gz YOXUEYPDJAPBEI-MDNUFGMLSA-N 2 1 399.579 3.886 20 0 GHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000470767975 930895188 /nfs/dbraw/zinc/89/51/88/930895188.db2.gz XQKRKNQKEWCPIO-UHFFFAOYSA-N 2 1 389.490 3.887 20 0 GHADMP CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470892462 931006353 /nfs/dbraw/zinc/00/63/53/931006353.db2.gz RZTUVMVQVCBTHB-SFTDATJTSA-N 2 1 388.600 3.659 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470898018 931011508 /nfs/dbraw/zinc/01/15/08/931011508.db2.gz PUVYMIZBOBRRBH-VWPQPMDRSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470898018 931011516 /nfs/dbraw/zinc/01/15/16/931011516.db2.gz PUVYMIZBOBRRBH-VWPQPMDRSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470898018 931011523 /nfs/dbraw/zinc/01/15/23/931011523.db2.gz PUVYMIZBOBRRBH-VWPQPMDRSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1-c1ccccc1 ZINC000781922835 931031343 /nfs/dbraw/zinc/03/13/43/931031343.db2.gz KYPMOTFEZBGNOU-FDDCHVKYSA-N 2 1 390.531 3.598 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc2cc[nH]c21 ZINC000547528239 931094018 /nfs/dbraw/zinc/09/40/18/931094018.db2.gz HQAJONCHODKZMJ-UHFFFAOYSA-N 2 1 397.567 3.828 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC000557375066 931386428 /nfs/dbraw/zinc/38/64/28/931386428.db2.gz XFZACETWNIMUSV-FQEVSTJZSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)CC1 ZINC000557375066 931386437 /nfs/dbraw/zinc/38/64/37/931386437.db2.gz XFZACETWNIMUSV-FQEVSTJZSA-N 2 1 391.559 3.695 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C(C)(C)O)cc1 ZINC000924777536 931534349 /nfs/dbraw/zinc/53/43/49/931534349.db2.gz QJDYLWLJIDENIZ-RBUKOAKNSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C(C)(C)O)cc1 ZINC000924777536 931534354 /nfs/dbraw/zinc/53/43/54/931534354.db2.gz QJDYLWLJIDENIZ-RBUKOAKNSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)c1 ZINC000924876058 931570786 /nfs/dbraw/zinc/57/07/86/931570786.db2.gz ZSRZBMLEIONKNN-ROUUACIJSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)c1 ZINC000924876058 931570796 /nfs/dbraw/zinc/57/07/96/931570796.db2.gz ZSRZBMLEIONKNN-ROUUACIJSA-N 2 1 381.549 3.892 20 0 GHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000557640116 931589507 /nfs/dbraw/zinc/58/95/07/931589507.db2.gz HXKSGBYQXVYMLZ-VWNXMTODSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557640116 931589511 /nfs/dbraw/zinc/58/95/11/931589511.db2.gz HXKSGBYQXVYMLZ-VWNXMTODSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557640116 931589514 /nfs/dbraw/zinc/58/95/14/931589514.db2.gz HXKSGBYQXVYMLZ-VWNXMTODSA-N 2 1 381.564 3.518 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC[NH+](CCC(C)C)CC3)CC2)oc1C ZINC000925039020 931621411 /nfs/dbraw/zinc/62/14/11/931621411.db2.gz NDNNQSDXIYDSFJ-UHFFFAOYSA-N 3 1 376.589 3.604 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000074319869 931725299 /nfs/dbraw/zinc/72/52/99/931725299.db2.gz ZLKQNWYXTASJOU-UHFFFAOYSA-N 2 1 386.584 3.669 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000925475541 931798150 /nfs/dbraw/zinc/79/81/50/931798150.db2.gz VJSBDJNIYOOXRQ-URZJWIJPSA-N 2 1 397.519 3.757 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925557864 931822139 /nfs/dbraw/zinc/82/21/39/931822139.db2.gz QBPGSJMMLDEIDY-WNMCAHLPSA-N 2 1 397.607 3.540 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc(N2CCCC2)n1 ZINC000558505072 932040148 /nfs/dbraw/zinc/04/01/48/932040148.db2.gz WMMOPZXHITWROA-TZRRMPRUSA-N 2 1 390.575 3.990 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000558738382 932203042 /nfs/dbraw/zinc/20/30/42/932203042.db2.gz PJKFITFORRZWAR-JTHBVZDNSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000558738382 932203045 /nfs/dbraw/zinc/20/30/45/932203045.db2.gz PJKFITFORRZWAR-JTHBVZDNSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000558782619 932229957 /nfs/dbraw/zinc/22/99/57/932229957.db2.gz PGTBGKFPNFUNRU-UHFFFAOYSA-N 2 1 389.547 3.947 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccn2)cc1 ZINC000926690196 932273287 /nfs/dbraw/zinc/27/32/87/932273287.db2.gz OCPVMTDMEWRZEZ-UKILVPOCSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccn2)cc1 ZINC000926690196 932273289 /nfs/dbraw/zinc/27/32/89/932273289.db2.gz OCPVMTDMEWRZEZ-UKILVPOCSA-N 2 1 387.527 3.836 20 0 GHADMP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000926768078 932298456 /nfs/dbraw/zinc/29/84/56/932298456.db2.gz HIGCQDCYTWHZBE-VOFXCDAESA-N 2 1 380.536 3.835 20 0 GHADMP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000926768078 932298462 /nfs/dbraw/zinc/29/84/62/932298462.db2.gz HIGCQDCYTWHZBE-VOFXCDAESA-N 2 1 380.536 3.835 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000559268842 932567010 /nfs/dbraw/zinc/56/70/10/932567010.db2.gz MKYRYLXZKIVMNM-QGZVFWFLSA-N 2 1 375.582 3.747 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000798271291 932585920 /nfs/dbraw/zinc/58/59/20/932585920.db2.gz FRBYGNSKOYUIHX-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000798271291 932585927 /nfs/dbraw/zinc/58/59/27/932585927.db2.gz FRBYGNSKOYUIHX-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311459 932592472 /nfs/dbraw/zinc/59/24/72/932592472.db2.gz LHDOTYCKESNCBH-YADARESESA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311459 932592478 /nfs/dbraw/zinc/59/24/78/932592478.db2.gz LHDOTYCKESNCBH-YADARESESA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311459 932592486 /nfs/dbraw/zinc/59/24/86/932592486.db2.gz LHDOTYCKESNCBH-YADARESESA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348943 932607253 /nfs/dbraw/zinc/60/72/53/932607253.db2.gz JKDOPXPBTPXJIF-VWNXMTODSA-N 2 1 394.563 3.501 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000559741436 932829895 /nfs/dbraw/zinc/82/98/95/932829895.db2.gz MEQJIUBGTJOBMQ-GOTSBHOMSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000559741436 932829901 /nfs/dbraw/zinc/82/99/01/932829901.db2.gz MEQJIUBGTJOBMQ-GOTSBHOMSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CCCC12CC[NH+](CC1CCN(C(=O)OCc3ccccc3)CC1)CC2 ZINC000799151526 932889618 /nfs/dbraw/zinc/88/96/18/932889618.db2.gz ZMHKMXFYMMYHEE-UHFFFAOYSA-N 2 1 385.552 3.595 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4c(cc3Br)OCCO4)C2)CC1 ZINC000799177812 932897897 /nfs/dbraw/zinc/89/78/97/932897897.db2.gz FMKOJOXEZGTEHD-UHFFFAOYSA-N 2 1 395.341 3.528 20 0 GHADMP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177118 932898017 /nfs/dbraw/zinc/89/80/17/932898017.db2.gz LRJXRIZTQDMSBJ-JOCHJYFZSA-N 2 1 399.579 3.557 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000559849956 932910075 /nfs/dbraw/zinc/91/00/75/932910075.db2.gz XIFWWECGHRBEEW-GOTSBHOMSA-N 2 1 377.532 3.848 20 0 GHADMP C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000559876725 932917647 /nfs/dbraw/zinc/91/76/47/932917647.db2.gz BTCRRGUEEUZISE-OXJNMPFZSA-N 2 1 375.532 3.730 20 0 GHADMP C[C@@H](Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777686820 932924462 /nfs/dbraw/zinc/92/44/62/932924462.db2.gz DXYHCFRHYQQFFF-YKSBVNFPSA-N 2 1 397.563 3.719 20 0 GHADMP C[C@@H](Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777686820 932924469 /nfs/dbraw/zinc/92/44/69/932924469.db2.gz DXYHCFRHYQQFFF-YKSBVNFPSA-N 2 1 397.563 3.719 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799228554 932925982 /nfs/dbraw/zinc/92/59/82/932925982.db2.gz ZTZMRLFCRJQBIC-DEOSSOPVSA-N 2 1 394.563 3.824 20 0 GHADMP Cc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)cn2cc[nH+]c12 ZINC000560443267 933262128 /nfs/dbraw/zinc/26/21/28/933262128.db2.gz FFVFVKLUFUTIPD-QGZVFWFLSA-N 2 1 377.492 3.629 20 0 GHADMP Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cn2cc[nH+]c12 ZINC000560443267 933262134 /nfs/dbraw/zinc/26/21/34/933262134.db2.gz FFVFVKLUFUTIPD-QGZVFWFLSA-N 2 1 377.492 3.629 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+](Cc2[nH]c(C)nc2C)CC1)Cc1[nH]c(C)nc1C ZINC000930142436 933857717 /nfs/dbraw/zinc/85/77/17/933857717.db2.gz IPBVTKMVMRTXMI-UHFFFAOYSA-N 2 1 386.588 3.881 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC001117438647 933939291 /nfs/dbraw/zinc/93/92/91/933939291.db2.gz KDZRPJFYQMZZLW-HAFPXEGZSA-N 2 1 398.526 3.562 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c2cccs2)CC1 ZINC000561951303 934580694 /nfs/dbraw/zinc/58/06/94/934580694.db2.gz PFYKATWTKFHROH-GQOXECLESA-N 2 1 391.531 3.851 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000115814088 935586112 /nfs/dbraw/zinc/58/61/12/935586112.db2.gz FTDUYQKTQANSSI-UHFFFAOYSA-N 2 1 391.559 3.939 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5ccc(Cl)cc45)C[C@H]3C2)cn1 ZINC001137711739 935740745 /nfs/dbraw/zinc/74/07/45/935740745.db2.gz ZWRQVDGAHCZZPN-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5ccc(Cl)cc45)C[C@H]3C2)cn1 ZINC001137711739 935740747 /nfs/dbraw/zinc/74/07/47/935740747.db2.gz ZWRQVDGAHCZZPN-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5ccc(Cl)cc45)C[C@H]3C2)cn1 ZINC001137711739 935740752 /nfs/dbraw/zinc/74/07/52/935740752.db2.gz ZWRQVDGAHCZZPN-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5ccc(Cl)cc45)C[C@H]3C2)cn1 ZINC001137711739 935740755 /nfs/dbraw/zinc/74/07/55/935740755.db2.gz ZWRQVDGAHCZZPN-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001137849043 935823116 /nfs/dbraw/zinc/82/31/16/935823116.db2.gz BJKRKEVLWKHDKB-GMKZXUHWSA-N 2 1 386.580 3.784 20 0 GHADMP Fc1cc(F)c(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001137871201 935836224 /nfs/dbraw/zinc/83/62/24/935836224.db2.gz RGZIKRONHSOETB-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP Fc1cc(F)c(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001137871201 935836230 /nfs/dbraw/zinc/83/62/30/935836230.db2.gz RGZIKRONHSOETB-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000829959515 935885600 /nfs/dbraw/zinc/88/56/00/935885600.db2.gz XQMZOHKPEGYNLD-LPHOPBHVSA-N 2 1 385.474 3.724 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001226748481 1032110495 /nfs/dbraw/zinc/11/04/95/1032110495.db2.gz VYGHCURASAOVII-YADHBBJMSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001226748481 1032110503 /nfs/dbraw/zinc/11/05/03/1032110503.db2.gz VYGHCURASAOVII-YADHBBJMSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001226748481 1032110508 /nfs/dbraw/zinc/11/05/08/1032110508.db2.gz VYGHCURASAOVII-YADHBBJMSA-N 2 1 392.632 3.985 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)c1cccc(C(F)(F)F)c1 ZINC000468303020 1015564821 /nfs/dbraw/zinc/56/48/21/1015564821.db2.gz NWSNNAKCBUEMRD-ZWKOTPCHSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)c1cccc(C(F)(F)F)c1 ZINC000468303020 1015564830 /nfs/dbraw/zinc/56/48/30/1015564830.db2.gz NWSNNAKCBUEMRD-ZWKOTPCHSA-N 2 1 385.474 3.689 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)[C@@H](C)C1 ZINC000468436529 1015705637 /nfs/dbraw/zinc/70/56/37/1015705637.db2.gz QGULAZIHQKKUGR-QFBILLFUSA-N 2 1 383.374 3.718 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000470601660 1016828775 /nfs/dbraw/zinc/82/87/75/1016828775.db2.gz QIKWNAUWUNSVHQ-RBUKOAKNSA-N 2 1 393.453 3.727 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070704 1032265727 /nfs/dbraw/zinc/26/57/27/1032265727.db2.gz ALYYWGYXAPEITG-QZTJIDSGSA-N 2 1 392.613 3.693 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)C1 ZINC001221130601 1032299072 /nfs/dbraw/zinc/29/90/72/1032299072.db2.gz ZFWKMBCQFFEVHB-HSZRJFAPSA-N 2 1 397.607 3.883 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2)CC1 ZINC001221296774 1032365354 /nfs/dbraw/zinc/36/53/54/1032365354.db2.gz AAUXXXUVTGVOJY-YTFSRNRJSA-N 2 1 398.595 3.776 20 0 GHADMP CCc1cc(CC)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155360770 1032518170 /nfs/dbraw/zinc/51/81/70/1032518170.db2.gz CHEDPXSAJBYPGF-HXUWFJFHSA-N 2 1 393.579 3.515 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4ncccc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363171 1032520253 /nfs/dbraw/zinc/52/02/53/1032520253.db2.gz IVNLSNKEUUUIFS-HXUWFJFHSA-N 2 1 387.531 3.544 20 0 GHADMP CCCc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C)n1 ZINC001155364752 1032520784 /nfs/dbraw/zinc/52/07/84/1032520784.db2.gz XDBXWYRNLKTCEB-NRFANRHFSA-N 2 1 393.579 3.651 20 0 GHADMP CCCc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C)[nH+]1 ZINC001155364752 1032520791 /nfs/dbraw/zinc/52/07/91/1032520791.db2.gz XDBXWYRNLKTCEB-NRFANRHFSA-N 3 1 393.579 3.651 20 0 GHADMP CCCc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C)[nH+]1 ZINC001155364752 1032520796 /nfs/dbraw/zinc/52/07/96/1032520796.db2.gz XDBXWYRNLKTCEB-NRFANRHFSA-N 3 1 393.579 3.651 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1cc[nH+]c(N3CCCCC3)n1)CC21CC[NH2+]CC1 ZINC001155441258 1032542849 /nfs/dbraw/zinc/54/28/49/1032542849.db2.gz FSLABIWJHNIIBQ-FQEVSTJZSA-N 2 1 377.536 3.953 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204158126 1032609926 /nfs/dbraw/zinc/60/99/26/1032609926.db2.gz JWLVJLSPJOSSKL-KRWDZBQOSA-N 2 1 398.469 3.945 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)cc1 ZINC001204271617 1032714914 /nfs/dbraw/zinc/71/49/14/1032714914.db2.gz PIRQFUGFHAFGHU-IBGZPJMESA-N 2 1 376.541 3.713 20 0 GHADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271369 1032715533 /nfs/dbraw/zinc/71/55/33/1032715533.db2.gz KKJSZONXHALEBU-UHFFFAOYSA-N 2 1 393.572 3.706 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562772765 1018625116 /nfs/dbraw/zinc/62/51/16/1018625116.db2.gz ZYHIMTLODPDBPB-IBGZPJMESA-N 2 1 378.520 3.714 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000562836863 1018696468 /nfs/dbraw/zinc/69/64/68/1018696468.db2.gz ADUTUOGPJQKHJY-GOSISDBHSA-N 2 1 384.549 3.521 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000562856249 1018713937 /nfs/dbraw/zinc/71/39/37/1018713937.db2.gz ZUMDXCXJUCQNLY-QHCPKHFHSA-N 2 1 379.548 3.838 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000562856248 1018714213 /nfs/dbraw/zinc/71/42/13/1018714213.db2.gz ZUMDXCXJUCQNLY-HSZRJFAPSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H](C[NH+](C)C)Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001155922575 1032796110 /nfs/dbraw/zinc/79/61/10/1032796110.db2.gz WUNMAPVGMAMVHL-CABCVRRESA-N 2 1 387.597 3.774 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000572548613 1019783840 /nfs/dbraw/zinc/78/38/40/1019783840.db2.gz CXHNBFGCPRVVEN-XPWALMASSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000576444946 1020013523 /nfs/dbraw/zinc/01/35/23/1020013523.db2.gz ANWYCUSGJKMMQW-CRAIPNDOSA-N 2 1 395.519 3.989 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000600971816 1020288649 /nfs/dbraw/zinc/28/86/49/1020288649.db2.gz JWYAJHAZHNTTQB-QZTJIDSGSA-N 2 1 385.474 3.689 20 0 GHADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961796 1020785176 /nfs/dbraw/zinc/78/51/76/1020785176.db2.gz ILVFVKJOQZCKDC-OXQOHEQNSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961796 1020785183 /nfs/dbraw/zinc/78/51/83/1020785183.db2.gz ILVFVKJOQZCKDC-OXQOHEQNSA-N 2 1 397.485 3.689 20 0 GHADMP COc1cc(C)c(C)cc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638407262 1021040871 /nfs/dbraw/zinc/04/08/71/1021040871.db2.gz QBJDGMJVHJUIFX-UHFFFAOYSA-N 2 1 381.520 3.634 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000638608797 1021048883 /nfs/dbraw/zinc/04/88/83/1021048883.db2.gz LOLCOXSWVRJSAU-DYESRHJHSA-N 2 1 399.485 3.652 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639258531 1021067345 /nfs/dbraw/zinc/06/73/45/1021067345.db2.gz BWARJXZNJPPLJG-IMSXRSKXSA-N 2 1 380.532 3.729 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639258531 1021067353 /nfs/dbraw/zinc/06/73/53/1021067353.db2.gz BWARJXZNJPPLJG-IMSXRSKXSA-N 2 1 380.532 3.729 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cccc(O)c13)CC2 ZINC001140234661 1021209699 /nfs/dbraw/zinc/20/96/99/1021209699.db2.gz VUGFQSNLHSWVPV-SFHVURJKSA-N 2 1 395.503 3.722 20 0 GHADMP c1cn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000834508282 1021231740 /nfs/dbraw/zinc/23/17/40/1021231740.db2.gz KQEGERYHSUAFRH-VABKMULXSA-N 2 1 387.531 3.800 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3nc(Br)cs3)CC2)nc(C)[nH+]1 ZINC000834615880 1021318364 /nfs/dbraw/zinc/31/83/64/1021318364.db2.gz JNGVTGPLIOBBOE-NSHDSACASA-N 2 1 396.358 3.632 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(N5CCCCC5)n4)[C@H]3C2)cc1 ZINC001156315989 1032978077 /nfs/dbraw/zinc/97/80/77/1032978077.db2.gz DTUZZGZJUTZPLZ-PCCBWWKXSA-N 2 1 377.536 3.789 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(N5CCCCC5)n4)[C@H]3C2)cc1 ZINC001156315989 1032978083 /nfs/dbraw/zinc/97/80/83/1032978083.db2.gz DTUZZGZJUTZPLZ-PCCBWWKXSA-N 2 1 377.536 3.789 20 0 GHADMP C[NH+](C)Cc1cc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)ccc1Br ZINC001228550188 1032982539 /nfs/dbraw/zinc/98/25/39/1032982539.db2.gz UFLYLFCFBCFVCI-KRWDZBQOSA-N 2 1 397.357 3.533 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(OCc2ccccc2)cc1OC ZINC001204609758 1032993450 /nfs/dbraw/zinc/99/34/50/1032993450.db2.gz HAYVCBMFVNKBLM-CTNGQTDRSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(OCc2ccccc2)cc1OC ZINC001204609758 1032993457 /nfs/dbraw/zinc/99/34/57/1032993457.db2.gz HAYVCBMFVNKBLM-CTNGQTDRSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(OCc2ccccc2)cc1OC ZINC001204609758 1032993462 /nfs/dbraw/zinc/99/34/62/1032993462.db2.gz HAYVCBMFVNKBLM-CTNGQTDRSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(OCc2ccccc2)cc1OC ZINC001204609758 1032993476 /nfs/dbraw/zinc/99/34/76/1032993476.db2.gz HAYVCBMFVNKBLM-CTNGQTDRSA-N 2 1 396.531 3.666 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679338276 1021990629 /nfs/dbraw/zinc/99/06/29/1021990629.db2.gz CFJHSDUDZRBQQQ-MNEFBYGVSA-N 2 1 381.358 3.991 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000679338276 1021990633 /nfs/dbraw/zinc/99/06/33/1021990633.db2.gz CFJHSDUDZRBQQQ-MNEFBYGVSA-N 2 1 381.358 3.991 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(O)c(C)c4)CC3)C2)c1 ZINC001140576603 1021996422 /nfs/dbraw/zinc/99/64/22/1021996422.db2.gz BPWSJNPUJCTRCY-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(O)c(C)c4)CC3)C2)c1 ZINC001140576603 1021996424 /nfs/dbraw/zinc/99/64/24/1021996424.db2.gz BPWSJNPUJCTRCY-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001204666782 1033022558 /nfs/dbraw/zinc/02/25/58/1033022558.db2.gz ZKXKAMZJIHMLRK-WWNPGLIZSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001204666782 1033022564 /nfs/dbraw/zinc/02/25/64/1033022564.db2.gz ZKXKAMZJIHMLRK-WWNPGLIZSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001204666782 1033022571 /nfs/dbraw/zinc/02/25/71/1033022571.db2.gz ZKXKAMZJIHMLRK-WWNPGLIZSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001204666782 1033022580 /nfs/dbraw/zinc/02/25/80/1033022580.db2.gz ZKXKAMZJIHMLRK-WWNPGLIZSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140654819 1022176641 /nfs/dbraw/zinc/17/66/41/1022176641.db2.gz FUWXSWBJSAYBMT-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140654819 1022176654 /nfs/dbraw/zinc/17/66/54/1022176654.db2.gz FUWXSWBJSAYBMT-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140654819 1022176663 /nfs/dbraw/zinc/17/66/63/1022176663.db2.gz FUWXSWBJSAYBMT-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001204705866 1033036476 /nfs/dbraw/zinc/03/64/76/1033036476.db2.gz MYKHTYCQDLQBIY-HDICACEKSA-N 2 1 394.519 3.747 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001204705866 1033036492 /nfs/dbraw/zinc/03/64/92/1033036492.db2.gz MYKHTYCQDLQBIY-HDICACEKSA-N 2 1 394.519 3.747 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]2CF)CC1 ZINC001140801028 1022567818 /nfs/dbraw/zinc/56/78/18/1022567818.db2.gz FPDMURWDMFJWQM-WMLDXEAASA-N 2 1 388.487 3.638 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]2CF)CC1 ZINC001140801028 1022567827 /nfs/dbraw/zinc/56/78/27/1022567827.db2.gz FPDMURWDMFJWQM-WMLDXEAASA-N 2 1 388.487 3.638 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cnc3cc[nH]cc1-3)CC2 ZINC001140801356 1022570018 /nfs/dbraw/zinc/57/00/18/1022570018.db2.gz KRRKRVGENIMHPH-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140801356 1022570026 /nfs/dbraw/zinc/57/00/26/1022570026.db2.gz KRRKRVGENIMHPH-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140801356 1022570038 /nfs/dbraw/zinc/57/00/38/1022570038.db2.gz KRRKRVGENIMHPH-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@@H+](Cc2c[nH]c3ccncc23)CC1 ZINC001140807126 1022580903 /nfs/dbraw/zinc/58/09/03/1022580903.db2.gz NDPMBLPBKISWML-UHFFFAOYSA-N 2 1 375.398 3.689 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+](Cc2cnc3cc[nH]cc2-3)CC1 ZINC001140807126 1022580914 /nfs/dbraw/zinc/58/09/14/1022580914.db2.gz NDPMBLPBKISWML-UHFFFAOYSA-N 2 1 375.398 3.689 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3-c3cccs3)CC2)CC1 ZINC001141096977 1023476875 /nfs/dbraw/zinc/47/68/75/1023476875.db2.gz XDCUEJFBCIMHEK-UHFFFAOYSA-N 2 1 383.561 3.577 20 0 GHADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3cc(Br)ccc3OCc3ccccc3)C[C@H]21 ZINC001204919040 1033165832 /nfs/dbraw/zinc/16/58/32/1033165832.db2.gz SWQJSSQMDDONRD-LDLYASANSA-N 2 1 387.321 3.665 20 0 GHADMP [NH3+]Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)c1 ZINC000830603103 1024013959 /nfs/dbraw/zinc/01/39/59/1024013959.db2.gz HCUZCBMTWMTSHI-UHFFFAOYSA-N 2 1 377.532 3.806 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)c2cc1C(C)C ZINC000830642528 1024031656 /nfs/dbraw/zinc/03/16/56/1024031656.db2.gz QQVHBWQXAWJBLE-UHFFFAOYSA-N 2 1 384.520 3.521 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)c2cc1C(C)C ZINC000830642528 1024031676 /nfs/dbraw/zinc/03/16/76/1024031676.db2.gz QQVHBWQXAWJBLE-UHFFFAOYSA-N 2 1 384.520 3.521 20 0 GHADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001205016968 1033210463 /nfs/dbraw/zinc/21/04/63/1033210463.db2.gz VACDDXTVHXFYSS-DEOSSOPVSA-N 2 1 380.532 3.993 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)CC2)cc1 ZINC001141295278 1024431470 /nfs/dbraw/zinc/43/14/70/1024431470.db2.gz XBNSDOJRAZPJGX-QHCPKHFHSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001141295278 1024431477 /nfs/dbraw/zinc/43/14/77/1024431477.db2.gz XBNSDOJRAZPJGX-QHCPKHFHSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC001141295278 1024431484 /nfs/dbraw/zinc/43/14/84/1024431484.db2.gz XBNSDOJRAZPJGX-QHCPKHFHSA-N 2 1 383.580 3.826 20 0 GHADMP COc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001138478810 1024908773 /nfs/dbraw/zinc/90/87/73/1024908773.db2.gz SEJRYAGWURTPQL-UHFFFAOYSA-N 2 1 390.911 3.809 20 0 GHADMP COc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001138478810 1024908775 /nfs/dbraw/zinc/90/87/75/1024908775.db2.gz SEJRYAGWURTPQL-UHFFFAOYSA-N 2 1 390.911 3.809 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138578568 1025058816 /nfs/dbraw/zinc/05/88/16/1025058816.db2.gz HDCOYZJHDBTJNG-NRFANRHFSA-N 2 1 396.579 3.963 20 0 GHADMP Cc1ccc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)ccc2n1 ZINC001141477430 1025174397 /nfs/dbraw/zinc/17/43/97/1025174397.db2.gz LVZZTMGSJJBYTE-ISKFKSNPSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc2cc(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)ccc2n1 ZINC001141477430 1025174407 /nfs/dbraw/zinc/17/44/07/1025174407.db2.gz LVZZTMGSJJBYTE-ISKFKSNPSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc2cc(C[N@@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)ccc2n1 ZINC001141477430 1025174410 /nfs/dbraw/zinc/17/44/10/1025174410.db2.gz LVZZTMGSJJBYTE-ISKFKSNPSA-N 2 1 379.548 3.724 20 0 GHADMP Fc1ccc(Cl)c(CN2CCc3ncc(CN4CCCCC4)n3CC2)c1 ZINC001138673318 1025196999 /nfs/dbraw/zinc/19/69/99/1025196999.db2.gz ZYBJHVPMVOKJFL-UHFFFAOYSA-N 2 1 376.907 3.720 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138769797 1025338820 /nfs/dbraw/zinc/33/88/20/1025338820.db2.gz IAMYSWSBQIYEOD-LJQANCHMSA-N 2 1 391.556 3.506 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc4ccnn42)CC3)c1 ZINC001138805176 1025396233 /nfs/dbraw/zinc/39/62/33/1025396233.db2.gz CLIXDUZFRIJJFP-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000838972487 1025490369 /nfs/dbraw/zinc/49/03/69/1025490369.db2.gz MASZQVAXOWFAEL-ICSRJNTNSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000838972487 1025490379 /nfs/dbraw/zinc/49/03/79/1025490379.db2.gz MASZQVAXOWFAEL-ICSRJNTNSA-N 2 1 387.568 3.934 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c1C ZINC001141564769 1025562752 /nfs/dbraw/zinc/56/27/52/1025562752.db2.gz LLRBUDRHRQTJAU-SJORKVTESA-N 2 1 376.589 3.571 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)CCc2cccc(C)c2)c1C ZINC001141573390 1025617391 /nfs/dbraw/zinc/61/73/91/1025617391.db2.gz XBFKKUVQCGOZMC-UHFFFAOYSA-N 2 1 398.595 3.686 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1 ZINC001139037196 1025813555 /nfs/dbraw/zinc/81/35/55/1025813555.db2.gz GPGQQWGJFOWXPX-UHFFFAOYSA-N 2 1 379.504 3.992 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC001461035284 1069350232 /nfs/dbraw/zinc/35/02/32/1069350232.db2.gz NDIZVGINNFXDAB-LOSJGSFVSA-N 2 1 377.576 3.902 20 0 GHADMP c1c2ccccc2oc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001139062829 1025855777 /nfs/dbraw/zinc/85/57/77/1025855777.db2.gz GZQQPDVEYRBKFF-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP c1c2ccccc2oc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001139062829 1025855798 /nfs/dbraw/zinc/85/57/98/1025855798.db2.gz GZQQPDVEYRBKFF-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP c1c2ccccc2oc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001139062829 1025855816 /nfs/dbraw/zinc/85/58/16/1025855816.db2.gz GZQQPDVEYRBKFF-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC001461042580 1069355385 /nfs/dbraw/zinc/35/53/85/1069355385.db2.gz DAWVHQXQLJJDSP-UIFIKXQLSA-N 2 1 376.516 3.642 20 0 GHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)nc1OC ZINC001139108993 1025916792 /nfs/dbraw/zinc/91/67/92/1025916792.db2.gz IKJNPQOYYDBPMU-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP Cc1c(Cl)ccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162930308 1025971404 /nfs/dbraw/zinc/97/14/04/1025971404.db2.gz YQFLMVDQYYHOFF-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP Fc1c2nc[nH]c2ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941234 1025977799 /nfs/dbraw/zinc/97/77/99/1025977799.db2.gz SFRYTLKRHBAQMI-GOSISDBHSA-N 2 1 393.510 3.616 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc4c3CCCO4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941503 1025979033 /nfs/dbraw/zinc/97/90/33/1025979033.db2.gz KVNVRZQFJQHUCA-OAQYLSRUSA-N 2 1 391.559 3.925 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001141642315 1026003220 /nfs/dbraw/zinc/00/32/20/1026003220.db2.gz LKUWZHLXQRATHH-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001141642315 1026003236 /nfs/dbraw/zinc/00/32/36/1026003236.db2.gz LKUWZHLXQRATHH-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001141642315 1026003257 /nfs/dbraw/zinc/00/32/57/1026003257.db2.gz LKUWZHLXQRATHH-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001141642315 1026003275 /nfs/dbraw/zinc/00/32/75/1026003275.db2.gz LKUWZHLXQRATHH-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cccc(C)c34)CC2)C1 ZINC001139195722 1026037234 /nfs/dbraw/zinc/03/72/34/1026037234.db2.gz VCYCDMDGSNCJLC-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cccc(C)c34)CC2)C1 ZINC001139195722 1026037251 /nfs/dbraw/zinc/03/72/51/1026037251.db2.gz VCYCDMDGSNCJLC-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4nonc4c2)CC3)c1 ZINC001139221045 1026075281 /nfs/dbraw/zinc/07/52/81/1026075281.db2.gz BTBQIHNMORCKGS-UHFFFAOYSA-N 2 1 392.503 3.720 20 0 GHADMP COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000839600834 1026098970 /nfs/dbraw/zinc/09/89/70/1026098970.db2.gz HWPDXQIKHSOYDC-LJQANCHMSA-N 2 1 384.442 3.600 20 0 GHADMP COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000839600834 1026098989 /nfs/dbraw/zinc/09/89/89/1026098989.db2.gz HWPDXQIKHSOYDC-LJQANCHMSA-N 2 1 384.442 3.600 20 0 GHADMP FC(F)(F)c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)[nH+]c2c1CCCCC2 ZINC001163276464 1026119344 /nfs/dbraw/zinc/11/93/44/1026119344.db2.gz AXXWVARQARMMIW-AUUYWEPGSA-N 2 1 383.458 3.940 20 0 GHADMP c1cn(Cc2ccccc2)c2c1cc[nH+]c2NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163277483 1026120688 /nfs/dbraw/zinc/12/06/88/1026120688.db2.gz GPDOAPFERVLBMW-XXBNENTESA-N 2 1 376.504 3.655 20 0 GHADMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@H]2C1 ZINC001139305209 1026159748 /nfs/dbraw/zinc/15/97/48/1026159748.db2.gz GRECZIRTMHVCHU-IYBDPMFKSA-N 2 1 377.941 3.759 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@@H]2C1 ZINC001139305209 1026159761 /nfs/dbraw/zinc/15/97/61/1026159761.db2.gz GRECZIRTMHVCHU-IYBDPMFKSA-N 2 1 377.941 3.759 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@@H]2C1 ZINC001139305209 1026159775 /nfs/dbraw/zinc/15/97/75/1026159775.db2.gz GRECZIRTMHVCHU-IYBDPMFKSA-N 2 1 377.941 3.759 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@@H]2C1 ZINC001139305209 1026159790 /nfs/dbraw/zinc/15/97/90/1026159790.db2.gz GRECZIRTMHVCHU-IYBDPMFKSA-N 2 1 377.941 3.759 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@@H]2C1 ZINC001139305209 1026159796 /nfs/dbraw/zinc/15/97/96/1026159796.db2.gz GRECZIRTMHVCHU-IYBDPMFKSA-N 2 1 377.941 3.759 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)[C@H](C)C1 ZINC001163363958 1026160484 /nfs/dbraw/zinc/16/04/84/1026160484.db2.gz AZKUWKYBVSFLRN-NVXWUHKLSA-N 2 1 387.528 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)[C@H](C)C1 ZINC001163363958 1026160490 /nfs/dbraw/zinc/16/04/90/1026160490.db2.gz AZKUWKYBVSFLRN-NVXWUHKLSA-N 2 1 387.528 3.509 20 0 GHADMP Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)s2)CC1 ZINC001139322822 1026182505 /nfs/dbraw/zinc/18/25/05/1026182505.db2.gz CKNFFEQGTDLIOF-UHFFFAOYSA-N 2 1 396.604 3.683 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001139337653 1026200096 /nfs/dbraw/zinc/20/00/96/1026200096.db2.gz WFFDRFXJNRYPAF-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001139337653 1026200110 /nfs/dbraw/zinc/20/01/10/1026200110.db2.gz WFFDRFXJNRYPAF-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001139337653 1026200122 /nfs/dbraw/zinc/20/01/22/1026200122.db2.gz WFFDRFXJNRYPAF-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP CC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139512664 1026365757 /nfs/dbraw/zinc/36/57/57/1026365757.db2.gz DUMIZNIYBRNVKO-QHCPKHFHSA-N 2 1 391.559 3.810 20 0 GHADMP COc1cc2[nH+]c(NCc3cccc(C[NH+](C)C)c3)ccc2c(OC)c1OC ZINC001163993266 1026380438 /nfs/dbraw/zinc/38/04/38/1026380438.db2.gz IMSTYHGUNGJUNK-UHFFFAOYSA-N 2 1 381.476 3.934 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)Cc4ccccc4-5)C[C@@H]3C2)cn1 ZINC001141737170 1026385343 /nfs/dbraw/zinc/38/53/43/1026385343.db2.gz LHQIZLOOBUQRAR-VWNXMTODSA-N 2 1 398.554 3.945 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)Cc4ccccc4-5)C[C@@H]3C2)cn1 ZINC001141737170 1026385351 /nfs/dbraw/zinc/38/53/51/1026385351.db2.gz LHQIZLOOBUQRAR-VWNXMTODSA-N 2 1 398.554 3.945 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)Cc4ccccc4-5)C[C@@H]3C2)cn1 ZINC001141737170 1026385367 /nfs/dbraw/zinc/38/53/67/1026385367.db2.gz LHQIZLOOBUQRAR-VWNXMTODSA-N 2 1 398.554 3.945 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)Cc4ccccc4-5)C[C@@H]3C2)cn1 ZINC001141737170 1026385378 /nfs/dbraw/zinc/38/53/78/1026385378.db2.gz LHQIZLOOBUQRAR-VWNXMTODSA-N 2 1 398.554 3.945 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)Cc4ccccc4-5)C[C@H]3C2)cn1 ZINC001141737169 1026385545 /nfs/dbraw/zinc/38/55/45/1026385545.db2.gz LHQIZLOOBUQRAR-ISKFKSNPSA-N 2 1 398.554 3.945 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)Cc4ccccc4-5)C[C@H]3C2)cn1 ZINC001141737169 1026385558 /nfs/dbraw/zinc/38/55/58/1026385558.db2.gz LHQIZLOOBUQRAR-ISKFKSNPSA-N 2 1 398.554 3.945 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)Cc4ccccc4-5)C[C@H]3C2)cn1 ZINC001141737169 1026385569 /nfs/dbraw/zinc/38/55/69/1026385569.db2.gz LHQIZLOOBUQRAR-ISKFKSNPSA-N 2 1 398.554 3.945 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)Cc4ccccc4-5)C[C@H]3C2)cn1 ZINC001141737169 1026385582 /nfs/dbraw/zinc/38/55/82/1026385582.db2.gz LHQIZLOOBUQRAR-ISKFKSNPSA-N 2 1 398.554 3.945 20 0 GHADMP C[NH+](C)C1(CNc2ccc(NC(=O)CCc3ccccc3)cc2)CC[NH+](C)CC1 ZINC001164212875 1026454288 /nfs/dbraw/zinc/45/42/88/1026454288.db2.gz IGHDBOGYROSHQI-UHFFFAOYSA-N 2 1 394.563 3.696 20 0 GHADMP Nc1[nH+]ccn1Cc1ccccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164499207 1026534984 /nfs/dbraw/zinc/53/49/84/1026534984.db2.gz MSABROBBDBJNCT-IEIRFRATSA-N 2 1 387.531 3.836 20 0 GHADMP Nc1[nH+]ccn1Cc1ccccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164499210 1026535342 /nfs/dbraw/zinc/53/53/42/1026535342.db2.gz MSABROBBDBJNCT-XKCSPQBFSA-N 2 1 387.531 3.836 20 0 GHADMP C[NH+](C)C[C@@H]1CCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165074010 1026588484 /nfs/dbraw/zinc/58/84/84/1026588484.db2.gz IILWROYBDLUYRI-INIZCTEOSA-N 2 1 399.608 3.696 20 0 GHADMP CCC[NH2+][C@@H]1CCc2c(sc(=N)n2-c2ccc([C@@H]3CCCC[N@H+]3CC)cn2)C1 ZINC001165106157 1026610113 /nfs/dbraw/zinc/61/01/13/1026610113.db2.gz REEFMWXOBRJMIO-MSOLQXFVSA-N 2 1 399.608 3.817 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)n1 ZINC001165162361 1026641098 /nfs/dbraw/zinc/64/10/98/1026641098.db2.gz XABNZOJOZCXSLA-UHFFFAOYSA-N 2 1 396.966 3.972 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)n1 ZINC001165182989 1026651527 /nfs/dbraw/zinc/65/15/27/1026651527.db2.gz CBTMMODECFTTDI-KKSFZXQISA-N 2 1 387.597 3.538 20 0 GHADMP Clc1cnccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001139844228 1026662628 /nfs/dbraw/zinc/66/26/28/1026662628.db2.gz JHAREEXFIHMTJL-UHFFFAOYSA-N 2 1 377.941 3.664 20 0 GHADMP Fc1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)ccc1O[C@H]1CC[NH2+]C1 ZINC001165213689 1026669187 /nfs/dbraw/zinc/66/91/87/1026669187.db2.gz RILNMWFPIOJZFU-FQEVSTJZSA-N 2 1 397.494 3.631 20 0 GHADMP CN(CC[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1)C(=O)OC(C)(C)C ZINC001202990533 1026779887 /nfs/dbraw/zinc/77/98/87/1026779887.db2.gz DLNXTWHYKGKDRX-LJQANCHMSA-N 2 1 391.556 3.823 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140025712 1026813524 /nfs/dbraw/zinc/81/35/24/1026813524.db2.gz SFIHUQHAXMIFSJ-UXHICEINSA-N 2 1 393.560 3.734 20 0 GHADMP CSc1nccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033747 1026822680 /nfs/dbraw/zinc/82/26/80/1026822680.db2.gz PUOHLIYWIHBEMD-SNRMKQJTSA-N 2 1 388.606 3.993 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(O)ccc1F)CC2 ZINC001140046919 1026830443 /nfs/dbraw/zinc/83/04/43/1026830443.db2.gz VVRNDZIYMVIWSG-HXUWFJFHSA-N 2 1 384.495 3.787 20 0 GHADMP CN(CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1)C(=O)OC(C)(C)C ZINC001203005839 1026914239 /nfs/dbraw/zinc/91/42/39/1026914239.db2.gz PXELUHBZNMFHSA-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)C(=O)OC(C)(C)C ZINC001203005839 1026914242 /nfs/dbraw/zinc/91/42/42/1026914242.db2.gz PXELUHBZNMFHSA-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)C(=O)OC(C)(C)C ZINC001203005839 1026914246 /nfs/dbraw/zinc/91/42/46/1026914246.db2.gz PXELUHBZNMFHSA-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc5ccccn45)CC3)C2)cc1 ZINC001203151029 1027217984 /nfs/dbraw/zinc/21/79/84/1027217984.db2.gz JQBJNVJRUKCGIH-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](Cc2ccccc2F)CC1 ZINC001203355343 1027289908 /nfs/dbraw/zinc/28/99/08/1027289908.db2.gz ZODDWHCYOOKHTE-UHFFFAOYSA-N 2 1 395.522 3.576 20 0 GHADMP CC(C)(C)OC(=O)Nc1cccc(F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210267475 1027415628 /nfs/dbraw/zinc/41/56/28/1027415628.db2.gz DTOAWTPTMGEEFW-UHFFFAOYSA-N 2 1 387.459 3.721 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203786174 1027604253 /nfs/dbraw/zinc/60/42/53/1027604253.db2.gz SZLYSVVZSCADCI-IBGZPJMESA-N 2 1 389.540 3.785 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203786174 1027604261 /nfs/dbraw/zinc/60/42/61/1027604261.db2.gz SZLYSVVZSCADCI-IBGZPJMESA-N 2 1 389.540 3.785 20 0 GHADMP COc1ccc(Oc2cccc(C[NH+]3CCN(CCC[NH+](C)C)CC3)c2)cc1 ZINC001203818969 1027630587 /nfs/dbraw/zinc/63/05/87/1027630587.db2.gz VNEIPTDGNUPQGO-UHFFFAOYSA-N 2 1 383.536 3.557 20 0 GHADMP COc1ccc(Oc2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2)cc1 ZINC001203818927 1027631102 /nfs/dbraw/zinc/63/11/02/1027631102.db2.gz UEHCINSKOWEILR-UHFFFAOYSA-N 2 1 395.547 3.701 20 0 GHADMP Cc1nccn1C[C@H](C)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001210806388 1027657835 /nfs/dbraw/zinc/65/78/35/1027657835.db2.gz DLLKNEQWQLDTIP-WCIQWLHISA-N 2 1 397.567 3.521 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001210806388 1027657848 /nfs/dbraw/zinc/65/78/48/1027657848.db2.gz DLLKNEQWQLDTIP-WCIQWLHISA-N 2 1 397.567 3.521 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1C ZINC001203898402 1027693235 /nfs/dbraw/zinc/69/32/35/1027693235.db2.gz WTXMKFYPHKIJBE-VJBWXMMDSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1C ZINC001203898402 1027693241 /nfs/dbraw/zinc/69/32/41/1027693241.db2.gz WTXMKFYPHKIJBE-VJBWXMMDSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1C ZINC001203898402 1027693248 /nfs/dbraw/zinc/69/32/48/1027693248.db2.gz WTXMKFYPHKIJBE-VJBWXMMDSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1C ZINC001203898402 1027693255 /nfs/dbraw/zinc/69/32/55/1027693255.db2.gz WTXMKFYPHKIJBE-VJBWXMMDSA-N 2 1 394.563 3.575 20 0 GHADMP CC[NH+](CC)CCCNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001210963477 1027724680 /nfs/dbraw/zinc/72/46/80/1027724680.db2.gz WQCVZOYTWZFLMI-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1cccc3ccccc31)CCC2 ZINC001203982190 1027779202 /nfs/dbraw/zinc/77/92/02/1027779202.db2.gz OGFPOCSSKNKXNS-UHFFFAOYSA-N 2 1 378.520 3.520 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC001204031838 1027821854 /nfs/dbraw/zinc/82/18/54/1027821854.db2.gz OFWLHTHBBGTTMG-FQEVSTJZSA-N 2 1 392.609 3.786 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)c(Br)c3)[C@H]2C1 ZINC001204089889 1027867237 /nfs/dbraw/zinc/86/72/37/1027867237.db2.gz SFUVZPHJFMIKKS-SGMGOOAPSA-N 2 1 393.247 3.778 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c(Cl)n1 ZINC001142128621 1028208701 /nfs/dbraw/zinc/20/87/01/1028208701.db2.gz OXMPUPXSEXMQSM-UHFFFAOYSA-N 2 1 375.900 3.503 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c(Cl)n1 ZINC001142128621 1028208719 /nfs/dbraw/zinc/20/87/19/1028208719.db2.gz OXMPUPXSEXMQSM-UHFFFAOYSA-N 2 1 375.900 3.503 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(Cl)n1 ZINC001142129016 1028209262 /nfs/dbraw/zinc/20/92/62/1028209262.db2.gz WSJUGDWHXRMKAR-UHFFFAOYSA-N 2 1 391.968 3.972 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142603800 1029133249 /nfs/dbraw/zinc/13/32/49/1029133249.db2.gz OIEQKZLPLZFJIQ-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142603800 1029133257 /nfs/dbraw/zinc/13/32/57/1029133257.db2.gz OIEQKZLPLZFJIQ-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142603800 1029133269 /nfs/dbraw/zinc/13/32/69/1029133269.db2.gz OIEQKZLPLZFJIQ-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142603800 1029133282 /nfs/dbraw/zinc/13/32/82/1029133282.db2.gz OIEQKZLPLZFJIQ-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000401783081 1029181958 /nfs/dbraw/zinc/18/19/58/1029181958.db2.gz XTZRCPLUILSUNN-QRVBRYPASA-N 2 1 376.545 3.511 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684153 1029490051 /nfs/dbraw/zinc/49/00/51/1029490051.db2.gz XZCRFXIIQYLUMG-NFBKMPQASA-N 2 1 396.531 3.524 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684153 1029490061 /nfs/dbraw/zinc/49/00/61/1029490061.db2.gz XZCRFXIIQYLUMG-NFBKMPQASA-N 2 1 396.531 3.524 20 0 GHADMP C[N@H+](Cc1cnc2ccc(Cl)nn12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001142997969 1029765845 /nfs/dbraw/zinc/76/58/45/1029765845.db2.gz WIRKNSSFLODBAB-UHFFFAOYSA-N 2 1 383.927 3.727 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3nonc31)CC2 ZINC001203130105 1029815090 /nfs/dbraw/zinc/81/50/90/1029815090.db2.gz NKUZYCORCLXEGS-QGZVFWFLSA-N 2 1 398.532 3.540 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1F ZINC001143146089 1029868330 /nfs/dbraw/zinc/86/83/30/1029868330.db2.gz WYUJHLJJOHWCNE-CQSZACIVSA-N 2 1 390.330 3.621 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001221945869 1029902251 /nfs/dbraw/zinc/90/22/51/1029902251.db2.gz KSUYQGLKTLPZLK-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc3cccnc3[nH]1)CC2 ZINC001143215705 1029919229 /nfs/dbraw/zinc/91/92/29/1029919229.db2.gz BUDPVABSCFOKJN-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc5cccnc5[nH]4)CC3)C2)cc1 ZINC001143215937 1029920028 /nfs/dbraw/zinc/92/00/28/1029920028.db2.gz KLTNRGCXHGXKKD-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Clc1nc2[nH]cc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2c(Cl)n1 ZINC001222172502 1029988008 /nfs/dbraw/zinc/98/80/08/1029988008.db2.gz LSQGINWEYZDBPP-GOSISDBHSA-N 2 1 382.339 3.962 20 0 GHADMP Clc1nc2[nH]cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)c2c(Cl)n1 ZINC001222172502 1029988011 /nfs/dbraw/zinc/98/80/11/1029988011.db2.gz LSQGINWEYZDBPP-GOSISDBHSA-N 2 1 382.339 3.962 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC001222220689 1030014286 /nfs/dbraw/zinc/01/42/86/1030014286.db2.gz FVNZWVIXMIUZKO-IBGZPJMESA-N 2 1 384.545 3.922 20 0 GHADMP Cc1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)ccc1OCc1ccccc1 ZINC001222407916 1030113125 /nfs/dbraw/zinc/11/31/25/1030113125.db2.gz RWEJRNYGYJQJIU-UHFFFAOYSA-N 2 1 380.532 3.776 20 0 GHADMP COc1cc(O)cc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590104 1030216551 /nfs/dbraw/zinc/21/65/51/1030216551.db2.gz FCQHMFWKWMWGEQ-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP COc1cc(O)cc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590104 1030216571 /nfs/dbraw/zinc/21/65/71/1030216571.db2.gz FCQHMFWKWMWGEQ-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP c1[nH]nc2c1cccc2C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590902 1030218828 /nfs/dbraw/zinc/21/88/28/1030218828.db2.gz OTRWYPGFJTZYEV-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595678 1030221937 /nfs/dbraw/zinc/22/19/37/1030221937.db2.gz GMOFTVGMSOCDEJ-VWNXMTODSA-N 2 1 375.560 3.588 20 0 GHADMP Clc1ccc(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)cc2)nn1 ZINC001222602637 1030227694 /nfs/dbraw/zinc/22/76/94/1030227694.db2.gz VYRUEDAXRDHWLO-FQEVSTJZSA-N 2 1 390.918 3.986 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001222674131 1030273023 /nfs/dbraw/zinc/27/30/23/1030273023.db2.gz UPQILCMPOBGKIP-PSWAGMNNSA-N 2 1 398.595 3.544 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001222674131 1030273032 /nfs/dbraw/zinc/27/30/32/1030273032.db2.gz UPQILCMPOBGKIP-PSWAGMNNSA-N 2 1 398.595 3.544 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001222674131 1030273039 /nfs/dbraw/zinc/27/30/39/1030273039.db2.gz UPQILCMPOBGKIP-PSWAGMNNSA-N 2 1 398.595 3.544 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001222979325 1030376631 /nfs/dbraw/zinc/37/66/31/1030376631.db2.gz JGBIFGCJKMEXGF-IFMALSPDSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H]1C[NH+](CCc2nnc(CCCCCCCCCCC[NH3+])o2)C[C@@H](C)O1 ZINC001217728798 1030631355 /nfs/dbraw/zinc/63/13/55/1030631355.db2.gz PTTYUDTZKPSJGU-RTBURBONSA-N 2 1 380.577 3.733 20 0 GHADMP [NH3+][C@@H](Cc1ccc(F)cc1F)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217733996 1030635440 /nfs/dbraw/zinc/63/54/40/1030635440.db2.gz RGYHDZQUKUEHRZ-APWZRJJASA-N 2 1 384.430 3.580 20 0 GHADMP [NH3+][C@@H](Cc1ccc(F)cc1F)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217733996 1030635459 /nfs/dbraw/zinc/63/54/59/1030635459.db2.gz RGYHDZQUKUEHRZ-APWZRJJASA-N 2 1 384.430 3.580 20 0 GHADMP CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6C[C@H]([NH2+]C)C6)cc54)O[C@H](C[N@H+]3C1)C2 ZINC001217955604 1030686925 /nfs/dbraw/zinc/68/69/25/1030686925.db2.gz XNAYEMWZJJKSCJ-VHDSIXQDSA-N 2 1 393.531 3.678 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)o1 ZINC000047669569 1030899937 /nfs/dbraw/zinc/89/99/37/1030899937.db2.gz JFKFIAWXCUFNLS-UHFFFAOYSA-N 2 1 383.536 3.778 20 0 GHADMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218460643 1030946772 /nfs/dbraw/zinc/94/67/72/1030946772.db2.gz VXDDJKIGKLRMMV-HATOLVCRSA-N 2 1 380.536 3.584 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001224564013 1031048739 /nfs/dbraw/zinc/04/87/39/1031048739.db2.gz QDZCIRRJQKIBNW-FCHUYYIVSA-N 2 1 392.632 3.650 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001224898672 1031169068 /nfs/dbraw/zinc/16/90/68/1031169068.db2.gz KGSCCJHOXPNSOR-KSEOMHKRSA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001224898672 1031169080 /nfs/dbraw/zinc/16/90/80/1031169080.db2.gz KGSCCJHOXPNSOR-KSEOMHKRSA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001224898672 1031169093 /nfs/dbraw/zinc/16/90/93/1031169093.db2.gz KGSCCJHOXPNSOR-KSEOMHKRSA-N 2 1 386.584 3.776 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccco1 ZINC001225321379 1031348429 /nfs/dbraw/zinc/34/84/29/1031348429.db2.gz NANTXCVSMROWMM-FPOVZHCZSA-N 2 1 398.551 3.751 20 0 GHADMP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219706152 1031566698 /nfs/dbraw/zinc/56/66/98/1031566698.db2.gz XVFWOWUGACOUAC-OAQYLSRUSA-N 2 1 397.950 3.514 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC001219711557 1031571798 /nfs/dbraw/zinc/57/17/98/1031571798.db2.gz HNKIAJCKXARGCK-FXAWDEMLSA-N 2 1 381.524 3.664 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cc[nH+]c(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001219711557 1031571811 /nfs/dbraw/zinc/57/18/11/1031571811.db2.gz HNKIAJCKXARGCK-FXAWDEMLSA-N 2 1 381.524 3.664 20 0 GHADMP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001219775011 1031612602 /nfs/dbraw/zinc/61/26/02/1031612602.db2.gz HMLDFYXANNZMQD-HXUWFJFHSA-N 2 1 389.971 3.906 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1C[NH2+]Cc2ccsc21)c1ccccc1 ZINC001219824980 1031637478 /nfs/dbraw/zinc/63/74/78/1031637478.db2.gz ANFZTHCYBVZXGU-RTWAWAEBSA-N 2 1 391.540 3.882 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1C[NH2+]Cc2ccsc21)c1ccccc1 ZINC001219824980 1031637492 /nfs/dbraw/zinc/63/74/92/1031637492.db2.gz ANFZTHCYBVZXGU-RTWAWAEBSA-N 2 1 391.540 3.882 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001154079202 1031915009 /nfs/dbraw/zinc/91/50/09/1031915009.db2.gz QGAFSXHPCSKYNH-RXVVDRJESA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001154079202 1031915015 /nfs/dbraw/zinc/91/50/15/1031915015.db2.gz QGAFSXHPCSKYNH-RXVVDRJESA-N 2 1 375.532 3.561 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001154111353 1031934163 /nfs/dbraw/zinc/93/41/63/1031934163.db2.gz JFNGODNGOCCZLN-PKTZIBPZSA-N 2 1 385.596 3.692 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC001220636731 1032035897 /nfs/dbraw/zinc/03/58/97/1032035897.db2.gz OAYHCNXAGROVKS-UGKGYDQZSA-N 2 1 388.600 3.940 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(-c3ccc(OCCC[NH+](C)C)nc3)c2c1C ZINC001205218680 1033312673 /nfs/dbraw/zinc/31/26/73/1033312673.db2.gz UJNWQCWRXXEFTB-UHFFFAOYSA-N 2 1 399.564 3.762 20 0 GHADMP Clc1ccsc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001205333460 1033365979 /nfs/dbraw/zinc/36/59/79/1033365979.db2.gz FELYWZYGILPBDW-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP Cc1c[nH+]c(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)nc1NCC1CC1 ZINC001157058991 1033393235 /nfs/dbraw/zinc/39/32/35/1033393235.db2.gz DNPHVMZXBVIHEL-UHFFFAOYSA-N 2 1 383.515 3.847 20 0 GHADMP Cc1c[nH+]c(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)nc1NCC1CC1 ZINC001157058991 1033393247 /nfs/dbraw/zinc/39/32/47/1033393247.db2.gz DNPHVMZXBVIHEL-UHFFFAOYSA-N 2 1 383.515 3.847 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849302 1069790600 /nfs/dbraw/zinc/79/06/00/1069790600.db2.gz HNKDMZNDYYXRDZ-HSALFYBXSA-N 2 1 379.589 3.830 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)[NH+](CC)CC)cc1 ZINC001229303324 1033404337 /nfs/dbraw/zinc/40/43/37/1033404337.db2.gz PPTOSNHPOXTEPA-KNKQGSTJSA-N 2 1 388.600 3.756 20 0 GHADMP [NH2+]=C(NCCCC[NH3+])Nc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC001157102416 1033414364 /nfs/dbraw/zinc/41/43/64/1033414364.db2.gz XHXAZPBNLCKWOU-UHFFFAOYSA-N 2 1 376.464 3.611 20 0 GHADMP c1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001205539260 1033459779 /nfs/dbraw/zinc/45/97/79/1033459779.db2.gz VFJJSOHNQOTYHS-UHFFFAOYSA-N 2 1 386.543 3.689 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001461860078 1069798867 /nfs/dbraw/zinc/79/88/67/1069798867.db2.gz DAQFLGFQBTXSNI-GOTSBHOMSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001461860078 1069798882 /nfs/dbraw/zinc/79/88/82/1069798882.db2.gz DAQFLGFQBTXSNI-GOTSBHOMSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001461860078 1069798898 /nfs/dbraw/zinc/79/88/98/1069798898.db2.gz DAQFLGFQBTXSNI-GOTSBHOMSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001461860078 1069798909 /nfs/dbraw/zinc/79/89/09/1069798909.db2.gz DAQFLGFQBTXSNI-GOTSBHOMSA-N 2 1 378.516 3.960 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)CC[C@H]1C[NH3+] ZINC001205653924 1033511908 /nfs/dbraw/zinc/51/19/08/1033511908.db2.gz VWNPEDRCJUIYTM-NEPJUHHUSA-N 2 1 377.273 3.857 20 0 GHADMP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC001205681613 1033528102 /nfs/dbraw/zinc/52/81/02/1033528102.db2.gz KYWOCXQLIPVPHZ-KRWDZBQOSA-N 2 1 385.455 3.505 20 0 GHADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC001205681613 1033528116 /nfs/dbraw/zinc/52/81/16/1033528116.db2.gz KYWOCXQLIPVPHZ-KRWDZBQOSA-N 2 1 385.455 3.505 20 0 GHADMP Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)cc1I ZINC001205703125 1033538458 /nfs/dbraw/zinc/53/84/58/1033538458.db2.gz WOTFKPJVSGWHFA-YJBOKZPZSA-N 2 1 398.332 3.824 20 0 GHADMP CC(C)(C)[C@]1(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001205753388 1033558922 /nfs/dbraw/zinc/55/89/22/1033558922.db2.gz VHBKTPRAPJWKKJ-RPWUZVMVSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCO[C@@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001205753388 1033558936 /nfs/dbraw/zinc/55/89/36/1033558936.db2.gz VHBKTPRAPJWKKJ-RPWUZVMVSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@@]3(CCCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001205753388 1033558946 /nfs/dbraw/zinc/55/89/46/1033558946.db2.gz VHBKTPRAPJWKKJ-RPWUZVMVSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@@]3(CCCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001205753388 1033558953 /nfs/dbraw/zinc/55/89/53/1033558953.db2.gz VHBKTPRAPJWKKJ-RPWUZVMVSA-N 2 1 386.580 3.806 20 0 GHADMP C[N@@H+]1CCN(C(=O)Cc2ccccc2-c2ccccc2C[NH3+])[C@@H](c2ccccc2)C1 ZINC001157495155 1033618936 /nfs/dbraw/zinc/61/89/36/1033618936.db2.gz GRZGLFBCGSEYCH-RUZDIDTESA-N 2 1 399.538 3.870 20 0 GHADMP C[N@H+]1CCN(C(=O)Cc2ccccc2-c2ccccc2C[NH3+])[C@@H](c2ccccc2)C1 ZINC001157495155 1033618943 /nfs/dbraw/zinc/61/89/43/1033618943.db2.gz GRZGLFBCGSEYCH-RUZDIDTESA-N 2 1 399.538 3.870 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(OCc2ccccc2)cc1OC ZINC001205905244 1033629416 /nfs/dbraw/zinc/62/94/16/1033629416.db2.gz ZMJQWBMKVXENQB-MJGOQNOKSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c(OCc2ccccc2)cc1OC ZINC001205905244 1033629419 /nfs/dbraw/zinc/62/94/19/1033629419.db2.gz ZMJQWBMKVXENQB-MJGOQNOKSA-N 2 1 384.520 3.842 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2CS(=O)(=O)c2ccccc2)CC1 ZINC001206324419 1033796697 /nfs/dbraw/zinc/79/66/97/1033796697.db2.gz BCABDAMNRGPBBR-QFIPXVFZSA-N 2 1 386.561 3.611 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157967514 1033840799 /nfs/dbraw/zinc/84/07/99/1033840799.db2.gz DPYALEIFZTWBHM-IFMALSPDSA-N 2 1 397.950 3.725 20 0 GHADMP CC(C)N(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@@H]1CC[NH2+]C1 ZINC001158033371 1033873416 /nfs/dbraw/zinc/87/34/16/1033873416.db2.gz SRXHNMOCKYULJN-MRXNPFEDSA-N 2 1 399.608 3.743 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+]3CCCC[C@@](C)(C[NH3+])C3)c2n1 ZINC001206563868 1033909708 /nfs/dbraw/zinc/90/97/08/1033909708.db2.gz JCRJOLOZEVFHIY-IBGZPJMESA-N 2 1 392.341 3.957 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)c2n1 ZINC001206563868 1033909712 /nfs/dbraw/zinc/90/97/12/1033909712.db2.gz JCRJOLOZEVFHIY-IBGZPJMESA-N 2 1 392.341 3.957 20 0 GHADMP COc1ccc(CN(c2[nH+]cnc3[nH]c(C)c(C)c32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158154389 1033940049 /nfs/dbraw/zinc/94/00/49/1033940049.db2.gz CDTQTQTXJPNGRX-IYARVYRRSA-N 2 1 379.508 3.860 20 0 GHADMP COc1ccccc1S[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206728430 1033959110 /nfs/dbraw/zinc/95/91/10/1033959110.db2.gz YAIRXBDQTHVXKQ-OAQYLSRUSA-N 2 1 398.572 3.894 20 0 GHADMP COc1ccccc1S[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206728430 1033959116 /nfs/dbraw/zinc/95/91/16/1033959116.db2.gz YAIRXBDQTHVXKQ-OAQYLSRUSA-N 2 1 398.572 3.894 20 0 GHADMP COc1ccc(C2=CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001206727908 1033959159 /nfs/dbraw/zinc/95/91/59/1033959159.db2.gz NNAKOEKDWLHTQK-UHFFFAOYSA-N 2 1 378.516 3.817 20 0 GHADMP COc1ccc(C2=CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001206727908 1033959170 /nfs/dbraw/zinc/95/91/70/1033959170.db2.gz NNAKOEKDWLHTQK-UHFFFAOYSA-N 2 1 378.516 3.817 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc(Cl)ccc2Br)CC1 ZINC001206755407 1033970344 /nfs/dbraw/zinc/97/03/44/1033970344.db2.gz GPNXXFLFMFJICJ-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)CC1 ZINC001206827194 1034010282 /nfs/dbraw/zinc/01/02/82/1034010282.db2.gz JGSRJKFQMCQPON-IBGZPJMESA-N 2 1 391.600 3.878 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2ccc(C)c(Cl)n2)c1 ZINC001158323052 1034023495 /nfs/dbraw/zinc/02/34/95/1034023495.db2.gz UMBAKABBIXPYBU-UHFFFAOYSA-N 2 1 382.842 3.755 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207092306 1034088625 /nfs/dbraw/zinc/08/86/25/1034088625.db2.gz DHSUYSNPFDYGNJ-UGKGYDQZSA-N 2 1 380.532 3.906 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CCOCc1ccccc1)CC2 ZINC001207234164 1034200540 /nfs/dbraw/zinc/20/05/40/1034200540.db2.gz QSYSHELARHIOFU-UHFFFAOYSA-N 2 1 379.548 3.975 20 0 GHADMP C[NH+](C)CC(C)(C)CN1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207288199 1034238783 /nfs/dbraw/zinc/23/87/83/1034238783.db2.gz JGXAOZZECAJZEF-UHFFFAOYSA-N 2 1 387.612 3.720 20 0 GHADMP CN(C)CC(C)(C)C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207288199 1034238791 /nfs/dbraw/zinc/23/87/91/1034238791.db2.gz JGXAOZZECAJZEF-UHFFFAOYSA-N 2 1 387.612 3.720 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289279 1034240204 /nfs/dbraw/zinc/24/02/04/1034240204.db2.gz JVXZYHKTQCYBAR-FCHUYYIVSA-N 2 1 399.579 3.982 20 0 GHADMP CCOC[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2nn(CC)cc21 ZINC001207289536 1034240694 /nfs/dbraw/zinc/24/06/94/1034240694.db2.gz QRKFEBAXRZSRPI-QFIPXVFZSA-N 2 1 396.579 3.751 20 0 GHADMP CCOC[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2nn(CC)cc21 ZINC001207289536 1034240708 /nfs/dbraw/zinc/24/07/08/1034240708.db2.gz QRKFEBAXRZSRPI-QFIPXVFZSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290859 1034241906 /nfs/dbraw/zinc/24/19/06/1034241906.db2.gz IFUKXDRXQJGSLZ-OAQYLSRUSA-N 2 1 387.568 3.745 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001207293517 1034246876 /nfs/dbraw/zinc/24/68/76/1034246876.db2.gz AVKOHVFJWUQDHE-PSWAGMNNSA-N 2 1 375.560 3.967 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207311875 1034258286 /nfs/dbraw/zinc/25/82/86/1034258286.db2.gz PGQSUCANCLDUTF-GOSISDBHSA-N 2 1 388.556 3.718 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(Br)cc1)C2 ZINC001207381283 1034326320 /nfs/dbraw/zinc/32/63/20/1034326320.db2.gz YDHYLSNQKAGJHG-UHFFFAOYSA-N 2 1 391.357 3.544 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(Br)cc1)C2 ZINC001207381283 1034326335 /nfs/dbraw/zinc/32/63/35/1034326335.db2.gz YDHYLSNQKAGJHG-UHFFFAOYSA-N 2 1 391.357 3.544 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccc(Br)cc1)C2 ZINC001207381283 1034326348 /nfs/dbraw/zinc/32/63/48/1034326348.db2.gz YDHYLSNQKAGJHG-UHFFFAOYSA-N 2 1 391.357 3.544 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccc(Br)cc1)C2 ZINC001207381283 1034326357 /nfs/dbraw/zinc/32/63/57/1034326357.db2.gz YDHYLSNQKAGJHG-UHFFFAOYSA-N 2 1 391.357 3.544 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207395227 1034340188 /nfs/dbraw/zinc/34/01/88/1034340188.db2.gz RAZKILFSEUQETJ-FQEVSTJZSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC001207424650 1034360276 /nfs/dbraw/zinc/36/02/76/1034360276.db2.gz XBVDAIGDFZBXRE-HJNYFJLDSA-N 2 1 386.971 3.952 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC001207424650 1034360289 /nfs/dbraw/zinc/36/02/89/1034360289.db2.gz XBVDAIGDFZBXRE-HJNYFJLDSA-N 2 1 386.971 3.952 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC001207424650 1034360302 /nfs/dbraw/zinc/36/03/02/1034360302.db2.gz XBVDAIGDFZBXRE-HJNYFJLDSA-N 2 1 386.971 3.952 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCc3cccc(Cl)c3)CC[C@@H]21 ZINC001207424650 1034360313 /nfs/dbraw/zinc/36/03/13/1034360313.db2.gz XBVDAIGDFZBXRE-HJNYFJLDSA-N 2 1 386.971 3.952 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001231427257 1034576326 /nfs/dbraw/zinc/57/63/26/1034576326.db2.gz CYMZKTYKPJIROA-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001207803819 1034583284 /nfs/dbraw/zinc/58/32/84/1034583284.db2.gz JVROXKBTBMCUEF-UHFFFAOYSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](CC3CC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)CC1 ZINC001207807073 1034584828 /nfs/dbraw/zinc/58/48/28/1034584828.db2.gz BLCMNZYHTPUQTE-UHFFFAOYSA-N 2 1 391.600 3.831 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CC3(c4ccccc4)CC3)CC[C@@H]21 ZINC001207831276 1034608299 /nfs/dbraw/zinc/60/82/99/1034608299.db2.gz BJNSDZSKBBPZCM-PUHATCMVSA-N 2 1 378.564 3.788 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CC3(c4ccccc4)CC3)CC[C@@H]21 ZINC001207831276 1034608313 /nfs/dbraw/zinc/60/83/13/1034608313.db2.gz BJNSDZSKBBPZCM-PUHATCMVSA-N 2 1 378.564 3.788 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CC3(c4ccccc4)CC3)CC[C@@H]21 ZINC001207831276 1034608324 /nfs/dbraw/zinc/60/83/24/1034608324.db2.gz BJNSDZSKBBPZCM-PUHATCMVSA-N 2 1 378.564 3.788 20 0 GHADMP CCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207838446 1034616405 /nfs/dbraw/zinc/61/64/05/1034616405.db2.gz YLAPCBBBGLJJRU-GUDVDZBRSA-N 2 1 379.589 3.734 20 0 GHADMP c1ccc(C2(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)CC2)cc1 ZINC001207837901 1034616839 /nfs/dbraw/zinc/61/68/39/1034616839.db2.gz SATLSCQCWUEYIM-UHFFFAOYSA-N 2 1 391.559 3.728 20 0 GHADMP C[C@@H](C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1)c1ccccc1 ZINC001207905298 1034648319 /nfs/dbraw/zinc/64/83/19/1034648319.db2.gz JJXBSXLDJHGSNO-UQAQOTMJSA-N 2 1 378.564 3.862 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1)c1ccccc1 ZINC001207905298 1034648328 /nfs/dbraw/zinc/64/83/28/1034648328.db2.gz JJXBSXLDJHGSNO-UQAQOTMJSA-N 2 1 378.564 3.862 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1)c1ccccc1 ZINC001207905298 1034648335 /nfs/dbraw/zinc/64/83/35/1034648335.db2.gz JJXBSXLDJHGSNO-UQAQOTMJSA-N 2 1 378.564 3.862 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)CC2 ZINC001207917772 1034658283 /nfs/dbraw/zinc/65/82/83/1034658283.db2.gz WSOQWELDKUDRJH-FQEVSTJZSA-N 2 1 399.623 3.839 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)CC2 ZINC001207917772 1034658293 /nfs/dbraw/zinc/65/82/93/1034658293.db2.gz WSOQWELDKUDRJH-FQEVSTJZSA-N 2 1 399.623 3.839 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCCc4ccc(C)o4)CC3)C2)c1 ZINC001207944550 1034673123 /nfs/dbraw/zinc/67/31/23/1034673123.db2.gz PGMXAMQMZSFYMQ-UHFFFAOYSA-N 2 1 398.547 3.896 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCCc4ccc(C)o4)CC3)C2)c1 ZINC001207944550 1034673129 /nfs/dbraw/zinc/67/31/29/1034673129.db2.gz PGMXAMQMZSFYMQ-UHFFFAOYSA-N 2 1 398.547 3.896 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208108089 1034739506 /nfs/dbraw/zinc/73/95/06/1034739506.db2.gz PYDZKZKAXPBGAX-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC001208184761 1034780256 /nfs/dbraw/zinc/78/02/56/1034780256.db2.gz FPUYWRGVJCAOAX-QZTJIDSGSA-N 2 1 397.579 3.683 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CCCC1 ZINC001208185506 1034782492 /nfs/dbraw/zinc/78/24/92/1034782492.db2.gz OZKZKULFEQXTRD-XMSQKQJNSA-N 2 1 397.579 3.779 20 0 GHADMP C[NH+](C)CC1(CN2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)CCCC1 ZINC001208189502 1034784207 /nfs/dbraw/zinc/78/42/07/1034784207.db2.gz UJZXCVCMPWAYJD-UHFFFAOYSA-N 2 1 389.559 3.528 20 0 GHADMP Nc1cccc(F)c1N(C1=CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160039788 1034839879 /nfs/dbraw/zinc/83/98/79/1034839879.db2.gz IWJYVTYQKSHBGL-UHFFFAOYSA-N 2 1 380.511 3.756 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(OC(C)(C)C)cc4)C[C@H]3C2)cn1 ZINC001231804270 1034919895 /nfs/dbraw/zinc/91/98/95/1034919895.db2.gz AUDKFSMTNXXXTJ-NHCUHLMSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(OC(C)(C)C)cc4)C[C@H]3C2)cn1 ZINC001231804270 1034919902 /nfs/dbraw/zinc/91/99/02/1034919902.db2.gz AUDKFSMTNXXXTJ-NHCUHLMSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(OC(C)(C)C)cc4)C[C@H]3C2)cn1 ZINC001231804270 1034919904 /nfs/dbraw/zinc/91/99/04/1034919904.db2.gz AUDKFSMTNXXXTJ-NHCUHLMSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(OC(C)(C)C)cc4)C[C@H]3C2)cn1 ZINC001231804270 1034919909 /nfs/dbraw/zinc/91/99/09/1034919909.db2.gz AUDKFSMTNXXXTJ-NHCUHLMSSA-N 2 1 382.552 3.551 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)CC1 ZINC001208599013 1034951082 /nfs/dbraw/zinc/95/10/82/1034951082.db2.gz HVKWYLUMRKYPOH-NRFANRHFSA-N 2 1 377.523 3.956 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CC[C@@H](C)CC(C)(C)C)CCC2 ZINC001208660351 1034971728 /nfs/dbraw/zinc/97/17/28/1034971728.db2.gz OXGAXIDXHXMPFD-GOSISDBHSA-N 2 1 376.589 3.752 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CC[C@@H](C)CC(C)(C)C)CCC2 ZINC001208660351 1034971731 /nfs/dbraw/zinc/97/17/31/1034971731.db2.gz OXGAXIDXHXMPFD-GOSISDBHSA-N 2 1 376.589 3.752 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CC[C@@H](C)CC(C)(C)C)CCC2 ZINC001208660351 1034971736 /nfs/dbraw/zinc/97/17/36/1034971736.db2.gz OXGAXIDXHXMPFD-GOSISDBHSA-N 2 1 376.589 3.752 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231906100 1034981483 /nfs/dbraw/zinc/98/14/83/1034981483.db2.gz AQMPWARGISHBDQ-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP [NH3+]C[C@]1(Nc2nc(Cl)nc3sc(-c4ccccc4)cc32)C[NH+]2CCC1CC2 ZINC001160512695 1034992686 /nfs/dbraw/zinc/99/26/86/1034992686.db2.gz DPZKYYMUYXJUCI-FQEVSTJZSA-N 2 1 399.951 3.847 20 0 GHADMP CC(C)Oc1ncccc1CCN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001208790222 1035022418 /nfs/dbraw/zinc/02/24/18/1035022418.db2.gz BQCFTHNUDFJRJI-SFHVURJKSA-N 2 1 385.556 3.525 20 0 GHADMP C[C@]1(CC(=O)N(Cc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC001160680555 1035033640 /nfs/dbraw/zinc/03/36/40/1035033640.db2.gz UNQNZAVTGIOYJT-UKILVPOCSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001232014437 1035043721 /nfs/dbraw/zinc/04/37/21/1035043721.db2.gz IGCJROOVEXLLAO-JWNTYJGQSA-N 3 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ncccc3[nH]1)CC2 ZINC001232063378 1035071923 /nfs/dbraw/zinc/07/19/23/1035071923.db2.gz SPALRBCVOONUTJ-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001461937845 1069901846 /nfs/dbraw/zinc/90/18/46/1069901846.db2.gz KYRWKRGQDSZCSW-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)C2)cc1 ZINC001208930708 1035095724 /nfs/dbraw/zinc/09/57/24/1035095724.db2.gz CWPBCJMANPQVRG-RUZDIDTESA-N 3 1 399.623 3.723 20 0 GHADMP c1ccc(CN2CCC[C@H](C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)C2)cc1 ZINC001208930708 1035095732 /nfs/dbraw/zinc/09/57/32/1035095732.db2.gz CWPBCJMANPQVRG-RUZDIDTESA-N 2 1 399.623 3.723 20 0 GHADMP COc1ccc(CC[N@H+](C[C@H](C)O)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)cc1 ZINC001208933583 1035096278 /nfs/dbraw/zinc/09/62/78/1035096278.db2.gz WHUPJAWDFUNIGU-XUZZJYLKSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)cc1 ZINC001208933583 1035096283 /nfs/dbraw/zinc/09/62/83/1035096283.db2.gz WHUPJAWDFUNIGU-XUZZJYLKSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001208933583 1035096289 /nfs/dbraw/zinc/09/62/89/1035096289.db2.gz WHUPJAWDFUNIGU-XUZZJYLKSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001208933583 1035096295 /nfs/dbraw/zinc/09/62/95/1035096295.db2.gz WHUPJAWDFUNIGU-XUZZJYLKSA-N 2 1 396.575 3.833 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208933123 1035096746 /nfs/dbraw/zinc/09/67/46/1035096746.db2.gz TYNDUEZWWLHOAH-LEWJYISDSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208933123 1035096753 /nfs/dbraw/zinc/09/67/53/1035096753.db2.gz TYNDUEZWWLHOAH-LEWJYISDSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208933123 1035096761 /nfs/dbraw/zinc/09/67/61/1035096761.db2.gz TYNDUEZWWLHOAH-LEWJYISDSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208933123 1035096769 /nfs/dbraw/zinc/09/67/69/1035096769.db2.gz TYNDUEZWWLHOAH-LEWJYISDSA-N 2 1 399.579 3.888 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208934674 1035098648 /nfs/dbraw/zinc/09/86/48/1035098648.db2.gz IBPIFZUSZDQHJK-RBZQAINGSA-N 2 1 386.580 3.806 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934674 1035098654 /nfs/dbraw/zinc/09/86/54/1035098654.db2.gz IBPIFZUSZDQHJK-RBZQAINGSA-N 2 1 386.580 3.806 20 0 GHADMP O=C1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)N1CC1CC1 ZINC001208933663 1035098754 /nfs/dbraw/zinc/09/87/54/1035098754.db2.gz DUWDRJJUKVHKCP-QHCPKHFHSA-N 2 1 395.591 3.766 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+]4CCc5ccccc5[C@@H]4C3)C2)cc1 ZINC001208939864 1035108377 /nfs/dbraw/zinc/10/83/77/1035108377.db2.gz KILARFLEOVCSBE-RDGATRHJSA-N 2 1 375.560 3.814 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)C2)cc1 ZINC001208939864 1035108382 /nfs/dbraw/zinc/10/83/82/1035108382.db2.gz KILARFLEOVCSBE-RDGATRHJSA-N 2 1 375.560 3.814 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC[N@H+]4CCc5ccccc5[C@@H]4C3)C2)cc1 ZINC001208939864 1035108385 /nfs/dbraw/zinc/10/83/85/1035108385.db2.gz KILARFLEOVCSBE-RDGATRHJSA-N 2 1 375.560 3.814 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208941884 1035111168 /nfs/dbraw/zinc/11/11/68/1035111168.db2.gz NNTRRNJXGKVZCW-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208941884 1035111170 /nfs/dbraw/zinc/11/11/70/1035111170.db2.gz NNTRRNJXGKVZCW-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208941884 1035111171 /nfs/dbraw/zinc/11/11/71/1035111171.db2.gz NNTRRNJXGKVZCW-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952094 1035123566 /nfs/dbraw/zinc/12/35/66/1035123566.db2.gz HBDJDYXNYSVUOT-OEMFJLHTSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952094 1035123569 /nfs/dbraw/zinc/12/35/69/1035123569.db2.gz HBDJDYXNYSVUOT-OEMFJLHTSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952094 1035123572 /nfs/dbraw/zinc/12/35/72/1035123572.db2.gz HBDJDYXNYSVUOT-OEMFJLHTSA-N 2 1 391.559 3.632 20 0 GHADMP c1cc(-c2ncnc3c2CC[NH+](C[C@H]2CC[N@@H+](Cc4ccccc4)C2)CC3)co1 ZINC001208951895 1035123937 /nfs/dbraw/zinc/12/39/37/1035123937.db2.gz NSNLVABMTQRKPV-HXUWFJFHSA-N 2 1 388.515 3.659 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@H+](C[C@H]2CC[NH+](Cc4ccccc4)C2)CC3)co1 ZINC001208951895 1035123938 /nfs/dbraw/zinc/12/39/38/1035123938.db2.gz NSNLVABMTQRKPV-HXUWFJFHSA-N 2 1 388.515 3.659 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@@H+](C[C@H]2CC[NH+](Cc4ccccc4)C2)CC3)co1 ZINC001208951895 1035123940 /nfs/dbraw/zinc/12/39/40/1035123940.db2.gz NSNLVABMTQRKPV-HXUWFJFHSA-N 2 1 388.515 3.659 20 0 GHADMP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208958086 1035129545 /nfs/dbraw/zinc/12/95/45/1035129545.db2.gz OAMXWDTWEVOABE-NZQKXSOJSA-N 2 1 380.532 3.962 20 0 GHADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208958086 1035129552 /nfs/dbraw/zinc/12/95/52/1035129552.db2.gz OAMXWDTWEVOABE-NZQKXSOJSA-N 2 1 380.532 3.962 20 0 GHADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208958086 1035129557 /nfs/dbraw/zinc/12/95/57/1035129557.db2.gz OAMXWDTWEVOABE-NZQKXSOJSA-N 2 1 380.532 3.962 20 0 GHADMP CO[C@@H](C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001208960309 1035131781 /nfs/dbraw/zinc/13/17/81/1035131781.db2.gz VRLFRNPDLLGTMA-ZCYQVOJMSA-N 2 1 393.575 3.514 20 0 GHADMP CN1CCC([N@H+](Cc2ccc(F)cc2)CC2CCC3(CC2)OCCO3)CC1 ZINC001209107076 1035175587 /nfs/dbraw/zinc/17/55/87/1035175587.db2.gz YULPSWZWVCLRJH-UHFFFAOYSA-N 2 1 376.516 3.655 20 0 GHADMP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)CC2CCC3(CC2)OCCO3)CC1 ZINC001209107076 1035175590 /nfs/dbraw/zinc/17/55/90/1035175590.db2.gz YULPSWZWVCLRJH-UHFFFAOYSA-N 2 1 376.516 3.655 20 0 GHADMP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)CC2CCC3(CC2)OCCO3)CC1 ZINC001209107076 1035175593 /nfs/dbraw/zinc/17/55/93/1035175593.db2.gz YULPSWZWVCLRJH-UHFFFAOYSA-N 2 1 376.516 3.655 20 0 GHADMP Fc1ccc(CC[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(Cl)c1 ZINC001209111348 1035178094 /nfs/dbraw/zinc/17/80/94/1035178094.db2.gz BEWBNKDFQAESHY-UHFFFAOYSA-N 2 1 390.934 3.762 20 0 GHADMP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1OCC[NH+](C)C ZINC001161283763 1035201187 /nfs/dbraw/zinc/20/11/87/1035201187.db2.gz IDEKBJZRPSDZJL-NRFANRHFSA-N 2 1 399.510 3.678 20 0 GHADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1OCC[NH+](C)C ZINC001161283763 1035201189 /nfs/dbraw/zinc/20/11/89/1035201189.db2.gz IDEKBJZRPSDZJL-NRFANRHFSA-N 2 1 399.510 3.678 20 0 GHADMP C[C@H]1CC(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@H](C)O1 ZINC001209381075 1035263994 /nfs/dbraw/zinc/26/39/94/1035263994.db2.gz ODGRHBSDDACIKI-ROUUACIJSA-N 2 1 378.582 3.619 20 0 GHADMP FC(F)(NCc1[nH+]cn2ccccc12)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001161686887 1035285091 /nfs/dbraw/zinc/28/50/91/1035285091.db2.gz JFLHDOIWWUPGCE-UHFFFAOYSA-N 2 1 389.837 3.599 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c4ccccc4nn3C)C[C@@H]21 ZINC001209537898 1035308246 /nfs/dbraw/zinc/30/82/46/1035308246.db2.gz ZCJZOJZMIJEGGW-RZFNWQHOSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc2ccccc2c1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1ccccn1 ZINC001209537898 1035308253 /nfs/dbraw/zinc/30/82/53/1035308253.db2.gz ZCJZOJZMIJEGGW-RZFNWQHOSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc2ccccc2c1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH+](C)Cc1ccccn1 ZINC001209537898 1035308258 /nfs/dbraw/zinc/30/82/58/1035308258.db2.gz ZCJZOJZMIJEGGW-RZFNWQHOSA-N 2 1 389.547 3.701 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2nc(-c3ccccc3)nc3ccc(Cl)cc32)CC1 ZINC001161866997 1035318041 /nfs/dbraw/zinc/31/80/41/1035318041.db2.gz AROXMYLPHZWEOP-UHFFFAOYSA-N 2 1 381.911 3.785 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3c[nH]c4ncc(Cl)cc34)C2)C1 ZINC001209598693 1035325235 /nfs/dbraw/zinc/32/52/35/1035325235.db2.gz KXTARSSSFJRUBJ-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP [NH3+][C@@H](c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1)C(c1ccccc1)c1ccccc1 ZINC001248208045 1035639804 /nfs/dbraw/zinc/63/98/04/1035639804.db2.gz FHEXOYHTEJZZSX-JOCHJYFZSA-N 2 1 397.482 3.609 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC001248620875 1035995719 /nfs/dbraw/zinc/99/57/19/1035995719.db2.gz GXCYGQSOFVFHNP-HXUWFJFHSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC001248620875 1035995722 /nfs/dbraw/zinc/99/57/22/1035995722.db2.gz GXCYGQSOFVFHNP-HXUWFJFHSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC001248620875 1035995727 /nfs/dbraw/zinc/99/57/27/1035995727.db2.gz GXCYGQSOFVFHNP-HXUWFJFHSA-N 2 1 394.991 3.849 20 0 GHADMP CC[C@H]1CC[C@H](c2ccc(-c3noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n3)cc2)CC1 ZINC001248638786 1036019496 /nfs/dbraw/zinc/01/94/96/1036019496.db2.gz HCWZDYXNSYEKCQ-MPGHIAIKSA-N 2 1 384.528 3.683 20 0 GHADMP CCc1cccc(CC)c1NC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001248649927 1036026400 /nfs/dbraw/zinc/02/64/00/1036026400.db2.gz YHLJHQFOFWHHFH-UHFFFAOYSA-N 2 1 383.565 3.767 20 0 GHADMP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1I ZINC001248763135 1036120558 /nfs/dbraw/zinc/12/05/58/1036120558.db2.gz VBIKWDAAEVTRKQ-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP C[N@H+](Cc1ccc(-n2nccn2)cc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001248771891 1036127008 /nfs/dbraw/zinc/12/70/08/1036127008.db2.gz ZJLZLDJLAZBKHS-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001248772688 1036127628 /nfs/dbraw/zinc/12/76/28/1036127628.db2.gz HWVUZYNEDQNDGG-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001248772688 1036127635 /nfs/dbraw/zinc/12/76/35/1036127635.db2.gz HWVUZYNEDQNDGG-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001248772688 1036127645 /nfs/dbraw/zinc/12/76/45/1036127645.db2.gz HWVUZYNEDQNDGG-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001462122564 1070014420 /nfs/dbraw/zinc/01/44/20/1070014420.db2.gz MZBRYKARPDRHGP-OYDLWJJNSA-N 2 1 393.575 3.954 20 0 GHADMP C[N@@H+](Cc1ccccc1NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC001245967430 1037092137 /nfs/dbraw/zinc/09/21/37/1037092137.db2.gz NDBNSRITLQSFHQ-LADGPHEKSA-N 2 1 381.564 3.794 20 0 GHADMP O[C@@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC001246040868 1037154525 /nfs/dbraw/zinc/15/45/25/1037154525.db2.gz WCAMQBWEKGZWNO-SGNDLWITSA-N 2 1 378.560 3.891 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC001246046211 1037160191 /nfs/dbraw/zinc/16/01/91/1037160191.db2.gz NBCKWNNLMUOXJU-NHYWBVRUSA-N 2 1 384.364 3.832 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC001246046211 1037160204 /nfs/dbraw/zinc/16/02/04/1037160204.db2.gz NBCKWNNLMUOXJU-NHYWBVRUSA-N 2 1 384.364 3.832 20 0 GHADMP CCCC[C@@H](O)C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246069279 1037184186 /nfs/dbraw/zinc/18/41/86/1037184186.db2.gz MOSMWGKEKYANGY-MRXNPFEDSA-N 2 1 376.438 3.950 20 0 GHADMP CCCC[C@@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246069279 1037184192 /nfs/dbraw/zinc/18/41/92/1037184192.db2.gz MOSMWGKEKYANGY-MRXNPFEDSA-N 2 1 376.438 3.950 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071959 1037188149 /nfs/dbraw/zinc/18/81/49/1037188149.db2.gz WENFHSLOEBUTPQ-ADHNFCLRSA-N 2 1 391.600 3.747 20 0 GHADMP CC1(C)C[C@@H](N[C@@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)CC[NH2+]1 ZINC001246122525 1037200748 /nfs/dbraw/zinc/20/07/48/1037200748.db2.gz BDBXRPWQXHRDJV-WMLDXEAASA-N 2 1 392.385 3.635 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162458 1037218232 /nfs/dbraw/zinc/21/82/32/1037218232.db2.gz YRTAKENFXZACFF-KFKAGJAMSA-N 2 1 381.358 3.661 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H](NCc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246165919 1037220409 /nfs/dbraw/zinc/22/04/09/1037220409.db2.gz MGRXJTJYJOVBMM-IFMALSPDSA-N 2 1 382.527 3.579 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246165919 1037220432 /nfs/dbraw/zinc/22/04/32/1037220432.db2.gz MGRXJTJYJOVBMM-IFMALSPDSA-N 3 1 382.527 3.579 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246177072 1037223925 /nfs/dbraw/zinc/22/39/25/1037223925.db2.gz ZAXSWTGLTYNZEL-FMTGGWRCSA-N 2 1 389.587 3.850 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246177072 1037223946 /nfs/dbraw/zinc/22/39/46/1037223946.db2.gz ZAXSWTGLTYNZEL-FMTGGWRCSA-N 3 1 389.587 3.850 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246177072 1037223966 /nfs/dbraw/zinc/22/39/66/1037223966.db2.gz ZAXSWTGLTYNZEL-FMTGGWRCSA-N 3 1 389.587 3.850 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@H]2CC[NH2+]C3(CCCCC3)C2)c2ccccc12 ZINC001246247729 1037251529 /nfs/dbraw/zinc/25/15/29/1037251529.db2.gz XKHCLYMZYPBMRN-AVRDEDQJSA-N 2 1 383.536 3.702 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC001246338802 1037301304 /nfs/dbraw/zinc/30/13/04/1037301304.db2.gz AQYDJEUTXQSRDV-OAQYLSRUSA-N 2 1 397.950 3.813 20 0 GHADMP O=C1C[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246341183 1037303946 /nfs/dbraw/zinc/30/39/46/1037303946.db2.gz NKYHKZTWTZTGOE-OAQYLSRUSA-N 2 1 397.950 3.700 20 0 GHADMP COc1ccc(CCN2CCC([NH2+][C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246345071 1037306417 /nfs/dbraw/zinc/30/64/17/1037306417.db2.gz VWLYUPKNZKPSPQ-QFIPXVFZSA-N 2 1 385.596 3.747 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H](c3ccccc3)C2)cc1 ZINC001246368361 1037326140 /nfs/dbraw/zinc/32/61/40/1037326140.db2.gz BWIOLPMVFUYSJW-GKFAFHNOSA-N 2 1 375.560 3.917 20 0 GHADMP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1 ZINC001246371059 1037328957 /nfs/dbraw/zinc/32/89/57/1037328957.db2.gz UNJPEDQAIWHSIY-FSSWDIPSSA-N 2 1 383.511 3.742 20 0 GHADMP C[C@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246380832 1037338854 /nfs/dbraw/zinc/33/88/54/1037338854.db2.gz KSFRFMSLECFCSV-SIKLNZKXSA-N 2 1 381.539 3.743 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246411610 1037367724 /nfs/dbraw/zinc/36/77/24/1037367724.db2.gz AYXWTQCVNQKEMN-JTHBVZDNSA-N 3 1 396.554 3.524 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001246453993 1037414122 /nfs/dbraw/zinc/41/41/22/1037414122.db2.gz ZDARMDFPRBGLPB-HNNXBMFYSA-N 2 1 385.474 3.521 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)C[C@H](CC)[NH2+]1 ZINC001246466370 1037419773 /nfs/dbraw/zinc/41/97/73/1037419773.db2.gz QBFVPOQHSCMTNR-BCDXTJNWSA-N 2 1 381.499 3.934 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)C(=O)OCc1ccccc1 ZINC001246485376 1037432400 /nfs/dbraw/zinc/43/24/00/1037432400.db2.gz KJFLIEHELFAVIB-ZLNRFVROSA-N 2 1 396.531 3.737 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C(=O)OCc1ccccc1 ZINC001246491357 1037436583 /nfs/dbraw/zinc/43/65/83/1037436583.db2.gz CVTJKUUJYATVMH-NHCUHLMSSA-N 2 1 386.923 3.638 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC[NH2+]1 ZINC001246494412 1037439183 /nfs/dbraw/zinc/43/91/83/1037439183.db2.gz YQPSSHUVSKXZPL-HKBOAZHASA-N 2 1 391.625 3.844 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCC(O)(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246523111 1037454186 /nfs/dbraw/zinc/45/41/86/1037454186.db2.gz VVRWRJXOXNONPA-GGAORHGYSA-N 2 1 382.523 3.997 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246594481 1037492211 /nfs/dbraw/zinc/49/22/11/1037492211.db2.gz WBQNUVBYLOCYFG-RCZSKKKRSA-N 2 1 376.516 3.983 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246594481 1037492215 /nfs/dbraw/zinc/49/22/15/1037492215.db2.gz WBQNUVBYLOCYFG-RCZSKKKRSA-N 2 1 376.516 3.983 20 0 GHADMP c1ccc(C[C@H]2CN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[NH2+]2)cc1 ZINC001246602744 1037500337 /nfs/dbraw/zinc/50/03/37/1037500337.db2.gz PISMRQWFLCPQNF-CXSMSNRLSA-N 2 1 375.560 3.699 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1C1CCC(Cc3ccccc3)CC1)CC[NH2+]CC2 ZINC001246606992 1037501401 /nfs/dbraw/zinc/50/14/01/1037501401.db2.gz ZGHSVFVXLVWIBY-HRTMPFAESA-N 2 1 384.564 3.795 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246617731 1037507411 /nfs/dbraw/zinc/50/74/11/1037507411.db2.gz FXIHFJFKXUSHKA-ZRBLBEILSA-N 3 1 385.596 3.566 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246617731 1037507438 /nfs/dbraw/zinc/50/74/38/1037507438.db2.gz FXIHFJFKXUSHKA-ZRBLBEILSA-N 3 1 385.596 3.566 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246620252 1037511691 /nfs/dbraw/zinc/51/16/91/1037511691.db2.gz QPJVQVYVLJTEPE-KMDXXIMOSA-N 2 1 397.607 3.712 20 0 GHADMP c1ccc(N2CCC([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673093 1037539363 /nfs/dbraw/zinc/53/93/63/1037539363.db2.gz OAXZKDILSZZFAH-RCZVLFRGSA-N 2 1 375.560 3.909 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001246674418 1037539448 /nfs/dbraw/zinc/53/94/48/1037539448.db2.gz SWQXYHLMRXPFPJ-YSFPZDHXSA-N 2 1 384.564 3.651 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](C)CSc3ccc(Cl)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001246683024 1037546610 /nfs/dbraw/zinc/54/66/10/1037546610.db2.gz PSJNRCRHVSFJGI-FTRWYGJKSA-N 2 1 396.984 3.685 20 0 GHADMP CC[C@H]1CC(N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246716106 1037567222 /nfs/dbraw/zinc/56/72/22/1037567222.db2.gz SXZVQXFQHIURAT-ILBLIPTMSA-N 2 1 389.584 3.500 20 0 GHADMP CC[C@H]1CC(N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246716106 1037567239 /nfs/dbraw/zinc/56/72/39/1037567239.db2.gz SXZVQXFQHIURAT-ILBLIPTMSA-N 2 1 389.584 3.500 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+]([C@@H]2CCC[C@]4(CC[NH2+]C4)C2)CC3)cc1 ZINC001246716754 1037570173 /nfs/dbraw/zinc/57/01/73/1037570173.db2.gz HBRGQUVWHNLJSE-XXBNENTESA-N 2 1 380.511 3.606 20 0 GHADMP C[NH2+]CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001246723789 1037575060 /nfs/dbraw/zinc/57/50/60/1037575060.db2.gz VPPJNFREDVNQDM-PIPMEXSNSA-N 2 1 383.561 3.569 20 0 GHADMP CC[C@@H]1C[C@@H](N2CCC3(CC2)CN(Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755699 1037595765 /nfs/dbraw/zinc/59/57/65/1037595765.db2.gz IYGUHMOKCQVLRP-NUNAXRQHSA-N 3 1 385.596 3.663 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CC[NH2+]1 ZINC001246756924 1037599688 /nfs/dbraw/zinc/59/96/88/1037599688.db2.gz UBNJKKLAMWPKPE-MHTWAQMVSA-N 2 1 378.564 3.969 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)s1 ZINC001246759725 1037601622 /nfs/dbraw/zinc/60/16/22/1037601622.db2.gz SZOPUJUKZMWLHH-SXWKCWPCSA-N 2 1 395.572 3.979 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)s1 ZINC001246759725 1037601641 /nfs/dbraw/zinc/60/16/41/1037601641.db2.gz SZOPUJUKZMWLHH-SXWKCWPCSA-N 2 1 395.572 3.979 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)CC[NH2+]1 ZINC001246772917 1037615103 /nfs/dbraw/zinc/61/51/03/1037615103.db2.gz BXFQSMHBWTXKFD-NMMYMHLASA-N 2 1 383.580 3.944 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246775326 1037615215 /nfs/dbraw/zinc/61/52/15/1037615215.db2.gz JGNUUHVSDDDVAD-SFHVURJKSA-N 3 1 384.955 3.933 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246780118 1037617959 /nfs/dbraw/zinc/61/79/59/1037617959.db2.gz ALQOKBFISYOLGM-GGAORHGYSA-N 2 1 397.538 3.754 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246782656 1037623113 /nfs/dbraw/zinc/62/31/13/1037623113.db2.gz RETKQMIAGLQEMC-BHIFYINESA-N 2 1 380.532 3.902 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246782656 1037623126 /nfs/dbraw/zinc/62/31/26/1037623126.db2.gz RETKQMIAGLQEMC-BHIFYINESA-N 2 1 380.532 3.902 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246825536 1037657869 /nfs/dbraw/zinc/65/78/69/1037657869.db2.gz VPGYUTKSBXUOGV-VCHRRKICSA-N 2 1 379.523 3.886 20 0 GHADMP C[NH2+]CC[C@H](C)N1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001246837553 1037666348 /nfs/dbraw/zinc/66/63/48/1037666348.db2.gz ONJWTUSLVRGZCN-QFIPXVFZSA-N 2 1 395.591 3.798 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001246862083 1037683748 /nfs/dbraw/zinc/68/37/48/1037683748.db2.gz PWFFFUOEOIIOHN-IBGZPJMESA-N 2 1 392.543 3.931 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246893947 1037709789 /nfs/dbraw/zinc/70/97/89/1037709789.db2.gz YGYQNSHBVSWDPL-FGZHOGPDSA-N 2 1 385.596 3.904 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@@H]5C[NH2+]C[C@@H]54)C[C@@H]23)cc1 ZINC001246922875 1037729277 /nfs/dbraw/zinc/72/92/77/1037729277.db2.gz XEKUXHGOTALNJN-PRKOWYPUSA-N 2 1 387.571 3.655 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@H+]3C[C@@H]4CN[C@@H]4C3)CC2)cc1 ZINC001246925564 1037731893 /nfs/dbraw/zinc/73/18/93/1037731893.db2.gz PLRINVYPGWLQFG-OJVSJSBUSA-N 2 1 375.560 3.904 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N3C[C@@H]4C[NH2+][C@@H]4C3)CC2)cc1 ZINC001246925564 1037731915 /nfs/dbraw/zinc/73/19/15/1037731915.db2.gz PLRINVYPGWLQFG-OJVSJSBUSA-N 2 1 375.560 3.904 20 0 GHADMP O=C1C[C@H]([N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246935129 1037737922 /nfs/dbraw/zinc/73/79/22/1037737922.db2.gz RNZHEFNGXJBOFB-JOCHJYFZSA-N 2 1 395.522 3.571 20 0 GHADMP O=C1C[C@H]([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246935129 1037737941 /nfs/dbraw/zinc/73/79/41/1037737941.db2.gz RNZHEFNGXJBOFB-JOCHJYFZSA-N 2 1 395.522 3.571 20 0 GHADMP O=C1C[C@@H]([N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246935130 1037738188 /nfs/dbraw/zinc/73/81/88/1037738188.db2.gz RNZHEFNGXJBOFB-QFIPXVFZSA-N 2 1 395.522 3.571 20 0 GHADMP O=C1C[C@@H]([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246935130 1037738203 /nfs/dbraw/zinc/73/82/03/1037738203.db2.gz RNZHEFNGXJBOFB-QFIPXVFZSA-N 2 1 395.522 3.571 20 0 GHADMP CN(C)CC[N@H+]1CCC2(CN(Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC001278472510 1037738320 /nfs/dbraw/zinc/73/83/20/1037738320.db2.gz OUIJCQMYWROLEO-UHFFFAOYSA-N 2 1 390.984 3.533 20 0 GHADMP C[NH+](C)CCN1CCC2(C[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)C1 ZINC001278472510 1037738351 /nfs/dbraw/zinc/73/83/51/1037738351.db2.gz OUIJCQMYWROLEO-UHFFFAOYSA-N 2 1 390.984 3.533 20 0 GHADMP O=C1CC[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936889 1037741749 /nfs/dbraw/zinc/74/17/49/1037741749.db2.gz KKSIVZWBXSEGCK-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cnc(-c3ccc(Cl)cc3)s1)C2 ZINC001278472710 1037744004 /nfs/dbraw/zinc/74/40/04/1037744004.db2.gz VCVQJYBTERRKHG-QAPCUYQASA-N 2 1 390.984 3.531 20 0 GHADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001246941704 1037748174 /nfs/dbraw/zinc/74/81/74/1037748174.db2.gz LKQFVHGERHGFFQ-YLZJTPGZSA-N 2 1 378.944 3.625 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](N(Cc3ccccn3)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246951910 1037755007 /nfs/dbraw/zinc/75/50/07/1037755007.db2.gz OCKONSCNEIAKRR-ZEQRLZLVSA-N 2 1 378.564 3.690 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246952452 1037757192 /nfs/dbraw/zinc/75/71/92/1037757192.db2.gz SSNHPJCFGUJTQU-GHTZIAJQSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246953428 1037759991 /nfs/dbraw/zinc/75/99/91/1037759991.db2.gz BZGBUYMKGOTDGE-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246954749 1037762536 /nfs/dbraw/zinc/76/25/36/1037762536.db2.gz PKCAUSPPELXJGI-HXUWFJFHSA-N 2 1 396.531 3.999 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@H](CC)[NH2+]1 ZINC001246971599 1037793822 /nfs/dbraw/zinc/79/38/22/1037793822.db2.gz WBLRIEPDWPJJJB-JJXSEGSLSA-N 2 1 386.462 3.648 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@H](CC)[NH2+]1 ZINC001246971599 1037793842 /nfs/dbraw/zinc/79/38/42/1037793842.db2.gz WBLRIEPDWPJJJB-JJXSEGSLSA-N 2 1 386.462 3.648 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246974485 1037796775 /nfs/dbraw/zinc/79/67/75/1037796775.db2.gz BAKCZIIQQWEZRN-IFMALSPDSA-N 3 1 382.527 3.889 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246993089 1037818209 /nfs/dbraw/zinc/81/82/09/1037818209.db2.gz KFXVFISRKKRWDT-SZGVKKGVSA-N 2 1 379.523 3.995 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246993089 1037818227 /nfs/dbraw/zinc/81/82/27/1037818227.db2.gz KFXVFISRKKRWDT-SZGVKKGVSA-N 2 1 379.523 3.995 20 0 GHADMP COC(=O)[C@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000414 1037824769 /nfs/dbraw/zinc/82/47/69/1037824769.db2.gz MGYDGQOMPLKOJY-LDVJMBRRSA-N 2 1 378.516 3.586 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001462228415 1070102426 /nfs/dbraw/zinc/10/24/26/1070102426.db2.gz XDLSRAOOXJJXSS-ZFGGDYGUSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001462228415 1070102434 /nfs/dbraw/zinc/10/24/34/1070102434.db2.gz XDLSRAOOXJJXSS-ZFGGDYGUSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001462228415 1070102445 /nfs/dbraw/zinc/10/24/45/1070102445.db2.gz XDLSRAOOXJJXSS-ZFGGDYGUSA-N 2 1 399.579 3.888 20 0 GHADMP Cc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1OC(C)C ZINC001232392980 1038176789 /nfs/dbraw/zinc/17/67/89/1038176789.db2.gz FHVANQGOXSJGDT-UHFFFAOYSA-N 2 1 382.552 3.633 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc5ccoc5cn4)CC3)C2)c1 ZINC001232552665 1038319694 /nfs/dbraw/zinc/31/96/94/1038319694.db2.gz RSKJWNIMRBDTQL-UHFFFAOYSA-N 2 1 383.517 3.756 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc3cc(Br)ccc3c2)no1 ZINC001247701655 1038340240 /nfs/dbraw/zinc/34/02/40/1038340240.db2.gz RJPHYPBQLYXGRU-OAHLLOKOSA-N 2 1 375.270 3.781 20 0 GHADMP c1ccc(N2CCCCC2)c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904846 1038476511 /nfs/dbraw/zinc/47/65/11/1038476511.db2.gz AUMKGTCQLYKSPA-SFHVURJKSA-N 2 1 395.551 3.658 20 0 GHADMP Fc1ccc(C(F)(F)F)cc1-c1noc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247905709 1038477092 /nfs/dbraw/zinc/47/70/92/1038477092.db2.gz KVAGZADZOIMAIO-GFCCVEGCSA-N 2 1 398.404 3.826 20 0 GHADMP Fc1cc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)ccc1C(F)(F)F ZINC001247905510 1038477182 /nfs/dbraw/zinc/47/71/82/1038477182.db2.gz HPOKLUCMZOTBRG-ZDUSSCGKSA-N 2 1 398.404 3.826 20 0 GHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ncc23)C1 ZINC001232861938 1038614474 /nfs/dbraw/zinc/61/44/74/1038614474.db2.gz JFOPKYSZZLNSHN-CQSZACIVSA-N 2 1 387.281 3.682 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462304313 1070157288 /nfs/dbraw/zinc/15/72/88/1070157288.db2.gz HJDJULUGENWSTI-IPMKNSEASA-N 2 1 385.552 3.694 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462304313 1070157290 /nfs/dbraw/zinc/15/72/90/1070157290.db2.gz HJDJULUGENWSTI-IPMKNSEASA-N 2 1 385.552 3.694 20 0 GHADMP CN(C)c1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(F)n1 ZINC001233115875 1038904048 /nfs/dbraw/zinc/90/40/48/1038904048.db2.gz FRPKQRBXYDMGAV-UHFFFAOYSA-N 2 1 397.542 3.558 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252400040 1038981236 /nfs/dbraw/zinc/98/12/36/1038981236.db2.gz IPGZRTLFBGJLMP-NRFANRHFSA-N 2 1 391.515 3.542 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)cc1 ZINC001252932884 1039270605 /nfs/dbraw/zinc/27/06/05/1039270605.db2.gz ZCJGWUCRTHDTNA-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001252932884 1039270612 /nfs/dbraw/zinc/27/06/12/1039270612.db2.gz ZCJGWUCRTHDTNA-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001252932884 1039270625 /nfs/dbraw/zinc/27/06/25/1039270625.db2.gz ZCJGWUCRTHDTNA-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@H]2CCC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001252932884 1039270637 /nfs/dbraw/zinc/27/06/37/1039270637.db2.gz ZCJGWUCRTHDTNA-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@H]2CCC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001252932884 1039270650 /nfs/dbraw/zinc/27/06/50/1039270650.db2.gz ZCJGWUCRTHDTNA-NOZRDPDXSA-N 2 1 394.559 3.587 20 0 GHADMP OCCCCCC[N@H+](Cc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252934264 1039273157 /nfs/dbraw/zinc/27/31/57/1039273157.db2.gz QWOFRNWWPPKWFI-VWLOTQADSA-N 2 1 396.575 3.678 20 0 GHADMP OCCCCCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252934264 1039273164 /nfs/dbraw/zinc/27/31/64/1039273164.db2.gz QWOFRNWWPPKWFI-VWLOTQADSA-N 2 1 396.575 3.678 20 0 GHADMP OCCCCCC[NH+](Cc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252934264 1039273173 /nfs/dbraw/zinc/27/31/73/1039273173.db2.gz QWOFRNWWPPKWFI-VWLOTQADSA-N 2 1 396.575 3.678 20 0 GHADMP OCCCCCC[NH+](Cc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252934264 1039273187 /nfs/dbraw/zinc/27/31/87/1039273187.db2.gz QWOFRNWWPPKWFI-VWLOTQADSA-N 2 1 396.575 3.678 20 0 GHADMP C[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252936173 1039274915 /nfs/dbraw/zinc/27/49/15/1039274915.db2.gz GZOHRNDCMCUWNG-NRFANRHFSA-N 2 1 392.465 3.817 20 0 GHADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252936173 1039274922 /nfs/dbraw/zinc/27/49/22/1039274922.db2.gz GZOHRNDCMCUWNG-NRFANRHFSA-N 2 1 392.465 3.817 20 0 GHADMP C[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252936173 1039274931 /nfs/dbraw/zinc/27/49/31/1039274931.db2.gz GZOHRNDCMCUWNG-NRFANRHFSA-N 2 1 392.465 3.817 20 0 GHADMP C[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252936173 1039274936 /nfs/dbraw/zinc/27/49/36/1039274936.db2.gz GZOHRNDCMCUWNG-NRFANRHFSA-N 2 1 392.465 3.817 20 0 GHADMP C[C@H]1OC2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001252938834 1039282751 /nfs/dbraw/zinc/28/27/51/1039282751.db2.gz YWRVCEBHCGQSAW-HYBUGGRVSA-N 2 1 392.543 3.706 20 0 GHADMP C[C@H]1OC2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001252938834 1039282764 /nfs/dbraw/zinc/28/27/64/1039282764.db2.gz YWRVCEBHCGQSAW-HYBUGGRVSA-N 2 1 392.543 3.706 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@H](c2ccccc2)C1 ZINC001462367785 1070205850 /nfs/dbraw/zinc/20/58/50/1070205850.db2.gz PIWROJRKCJDLLC-SSXICUSMSA-N 2 1 399.579 3.709 20 0 GHADMP C[N@H+](C[C@H](O)CCOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001253267493 1039515753 /nfs/dbraw/zinc/51/57/53/1039515753.db2.gz PNYNZMKTVXNLHH-XMMPIXPASA-N 2 1 382.548 3.551 20 0 GHADMP C[N@@H+](C[C@H](O)CCOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001253267493 1039515769 /nfs/dbraw/zinc/51/57/69/1039515769.db2.gz PNYNZMKTVXNLHH-XMMPIXPASA-N 2 1 382.548 3.551 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)sc1C ZINC001233684758 1039535255 /nfs/dbraw/zinc/53/52/55/1039535255.db2.gz MVBYZUBEDFRAAL-UHFFFAOYSA-N 2 1 385.577 3.875 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CCOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001253291600 1039539759 /nfs/dbraw/zinc/53/97/59/1039539759.db2.gz LPZIUAVFQUHTKA-AGILITTLSA-N 2 1 382.548 3.597 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CCOCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001253291600 1039539772 /nfs/dbraw/zinc/53/97/72/1039539772.db2.gz LPZIUAVFQUHTKA-AGILITTLSA-N 2 1 382.548 3.597 20 0 GHADMP COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253395714 1039599575 /nfs/dbraw/zinc/59/95/75/1039599575.db2.gz MAUMQHHIFHHIAB-DENIHFKCSA-N 2 1 384.564 3.877 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001234143904 1039881971 /nfs/dbraw/zinc/88/19/71/1039881971.db2.gz ZWXJMAXLIYQMSG-UHFFFAOYSA-N 2 1 384.955 3.899 20 0 GHADMP OC1(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254040119 1039970108 /nfs/dbraw/zinc/97/01/08/1039970108.db2.gz OSVFOBBADVGAEJ-UHFFFAOYSA-N 2 1 393.506 3.692 20 0 GHADMP OC1(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254040119 1039970112 /nfs/dbraw/zinc/97/01/12/1039970112.db2.gz OSVFOBBADVGAEJ-UHFFFAOYSA-N 2 1 393.506 3.692 20 0 GHADMP OC1(C[N@@H+]2CCc3c4ccccc4oc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254039807 1039970512 /nfs/dbraw/zinc/97/05/12/1039970512.db2.gz KMNHVADOYBWJQF-UHFFFAOYSA-N 2 1 376.500 3.818 20 0 GHADMP OC1(C[N@H+]2CCc3c4ccccc4oc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254039807 1039970517 /nfs/dbraw/zinc/97/05/17/1039970517.db2.gz KMNHVADOYBWJQF-UHFFFAOYSA-N 2 1 376.500 3.818 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001254119415 1039996754 /nfs/dbraw/zinc/99/67/54/1039996754.db2.gz YIUUMUCWXIVGFO-MZYLBHOOSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(OCc4ccccc4)c(OC)cc3C)C[C@@H]2C1 ZINC001234518872 1040096580 /nfs/dbraw/zinc/09/65/80/1040096580.db2.gz PMJVYWQMPWXASN-SZPZYZBQSA-N 2 1 380.532 3.966 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(OCc4ccccc4)c(OC)cc3C)C[C@@H]2C1 ZINC001234518872 1040096593 /nfs/dbraw/zinc/09/65/93/1040096593.db2.gz PMJVYWQMPWXASN-SZPZYZBQSA-N 2 1 380.532 3.966 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(OCc4ccccc4)c(OC)cc3C)C[C@@H]2C1 ZINC001234518872 1040096612 /nfs/dbraw/zinc/09/66/12/1040096612.db2.gz PMJVYWQMPWXASN-SZPZYZBQSA-N 2 1 380.532 3.966 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(OCc4ccccc4)c(OC)cc3C)C[C@@H]2C1 ZINC001234518872 1040096631 /nfs/dbraw/zinc/09/66/31/1040096631.db2.gz PMJVYWQMPWXASN-SZPZYZBQSA-N 2 1 380.532 3.966 20 0 GHADMP Cc1ccc[nH+]c1N([C@H]1Cc2ccc(Br)cc2C1)C1CC[NH2+]CC1 ZINC001254289735 1040139792 /nfs/dbraw/zinc/13/97/92/1040139792.db2.gz WSMKZMSDRCSPCJ-IBGZPJMESA-N 2 1 386.337 3.878 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)CC1 ZINC001254499974 1040284701 /nfs/dbraw/zinc/28/47/01/1040284701.db2.gz QZVGSIZTIUWSCU-HVIUMASTSA-N 2 1 387.543 3.703 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC001254509770 1040288692 /nfs/dbraw/zinc/28/86/92/1040288692.db2.gz QIDQELLNLHZQDE-GOSISDBHSA-N 2 1 387.465 3.883 20 0 GHADMP C[N@H+]1CCC[C@@H](n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)CC1 ZINC001254513856 1040290705 /nfs/dbraw/zinc/29/07/05/1040290705.db2.gz GNVPHPMUGDOXER-QGZVFWFLSA-N 2 1 385.552 3.684 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)CC1 ZINC001254521351 1040295005 /nfs/dbraw/zinc/29/50/05/1040295005.db2.gz JKHFRZWADHRMRI-HXUWFJFHSA-N 2 1 393.575 3.524 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)CC1 ZINC001254523393 1040295490 /nfs/dbraw/zinc/29/54/90/1040295490.db2.gz SRFGNIGBICDZMY-YADHBBJMSA-N 2 1 381.564 3.546 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521575 1040296106 /nfs/dbraw/zinc/29/61/06/1040296106.db2.gz VNWVEGDOUALTSJ-VQTJNVASSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521575 1040296119 /nfs/dbraw/zinc/29/61/19/1040296119.db2.gz VNWVEGDOUALTSJ-VQTJNVASSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521575 1040296148 /nfs/dbraw/zinc/29/61/48/1040296148.db2.gz VNWVEGDOUALTSJ-VQTJNVASSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCN(c2ccc(F)cc2)CC1 ZINC001254626775 1040403757 /nfs/dbraw/zinc/40/37/57/1040403757.db2.gz VMMGVUPCZFCGDW-OAQYLSRUSA-N 2 1 389.559 3.806 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)cc1 ZINC001235079168 1040567460 /nfs/dbraw/zinc/56/74/60/1040567460.db2.gz YTAKCDJDTQHYFH-GOSISDBHSA-N 2 1 378.442 3.830 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001254885991 1040636754 /nfs/dbraw/zinc/63/67/54/1040636754.db2.gz HZVWEWFPODFHBI-FNAHDJPLSA-N 2 1 399.579 3.744 20 0 GHADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155276 1040647969 /nfs/dbraw/zinc/64/79/69/1040647969.db2.gz LDIYGRSJJNJKRT-IBGZPJMESA-N 2 1 380.374 3.869 20 0 GHADMP Brc1cccc2c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)[nH]nc21 ZINC001235159915 1040653221 /nfs/dbraw/zinc/65/32/21/1040653221.db2.gz YRSBZXAGRZILFQ-KRWDZBQOSA-N 2 1 377.330 3.680 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235158821 1040654209 /nfs/dbraw/zinc/65/42/09/1040654209.db2.gz WCFPWVXBGRBDBP-SFHVURJKSA-N 2 1 396.373 3.985 20 0 GHADMP Brc1cccc2c(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)[nH]nc21 ZINC001235240172 1040721814 /nfs/dbraw/zinc/72/18/14/1040721814.db2.gz WFKUURRAHGMTBD-INIZCTEOSA-N 2 1 377.330 3.680 20 0 GHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Br)cc(C(=O)OC)c2)CC1 ZINC001235287495 1040758465 /nfs/dbraw/zinc/75/84/65/1040758465.db2.gz RHXBTUCVQDAECQ-UHFFFAOYSA-N 2 1 397.357 3.932 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc(C(=O)OC)c2)CC1 ZINC001235287495 1040758479 /nfs/dbraw/zinc/75/84/79/1040758479.db2.gz RHXBTUCVQDAECQ-UHFFFAOYSA-N 2 1 397.357 3.932 20 0 GHADMP Cc1cnc(F)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001235330877 1040799856 /nfs/dbraw/zinc/79/98/56/1040799856.db2.gz CVGGVOMIGKDINP-SFHVURJKSA-N 2 1 389.540 3.846 20 0 GHADMP O=C1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC001255125247 1040816879 /nfs/dbraw/zinc/81/68/79/1040816879.db2.gz UQWPSNXBQXQCHC-JLLPCOHGSA-N 2 1 389.543 3.573 20 0 GHADMP COc1ccc(C2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255132490 1040829141 /nfs/dbraw/zinc/82/91/41/1040829141.db2.gz KTOHYIDYZMHGSK-WKCHPHFGSA-N 2 1 377.532 3.907 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)c1OCCO ZINC001235363504 1040850168 /nfs/dbraw/zinc/85/01/68/1040850168.db2.gz ACUQARRJENFFKF-DNQXCXABSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)c1OCCO ZINC001235363504 1040850182 /nfs/dbraw/zinc/85/01/82/1040850182.db2.gz ACUQARRJENFFKF-DNQXCXABSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(C)c1OCCO ZINC001235363504 1040850217 /nfs/dbraw/zinc/85/02/17/1040850217.db2.gz ACUQARRJENFFKF-DNQXCXABSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(C)c1OCCO ZINC001235363504 1040850238 /nfs/dbraw/zinc/85/02/38/1040850238.db2.gz ACUQARRJENFFKF-DNQXCXABSA-N 2 1 394.559 3.628 20 0 GHADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255146211 1040861371 /nfs/dbraw/zinc/86/13/71/1040861371.db2.gz DMVGDQXFDWDLPK-QASJRYCWSA-N 2 1 382.548 3.846 20 0 GHADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146211 1040861379 /nfs/dbraw/zinc/86/13/79/1040861379.db2.gz DMVGDQXFDWDLPK-QASJRYCWSA-N 2 1 382.548 3.846 20 0 GHADMP CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146211 1040861390 /nfs/dbraw/zinc/86/13/90/1040861390.db2.gz DMVGDQXFDWDLPK-QASJRYCWSA-N 2 1 382.548 3.846 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255148831 1040863772 /nfs/dbraw/zinc/86/37/72/1040863772.db2.gz CFGDZRYULWPDKG-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255148831 1040863799 /nfs/dbraw/zinc/86/37/99/1040863799.db2.gz CFGDZRYULWPDKG-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)nc1 ZINC001255148831 1040863823 /nfs/dbraw/zinc/86/38/23/1040863823.db2.gz CFGDZRYULWPDKG-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001255148831 1040863831 /nfs/dbraw/zinc/86/38/31/1040863831.db2.gz CFGDZRYULWPDKG-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255148826 1040864282 /nfs/dbraw/zinc/86/42/82/1040864282.db2.gz CFGDZRYULWPDKG-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255148826 1040864309 /nfs/dbraw/zinc/86/43/09/1040864309.db2.gz CFGDZRYULWPDKG-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)nc1 ZINC001255148826 1040864322 /nfs/dbraw/zinc/86/43/22/1040864322.db2.gz CFGDZRYULWPDKG-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001255148826 1040864338 /nfs/dbraw/zinc/86/43/38/1040864338.db2.gz CFGDZRYULWPDKG-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001255149539 1040866089 /nfs/dbraw/zinc/86/60/89/1040866089.db2.gz IMCPDKWSPYSNSA-VNXMGFANSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001255149539 1040866092 /nfs/dbraw/zinc/86/60/92/1040866092.db2.gz IMCPDKWSPYSNSA-VNXMGFANSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001255149539 1040866125 /nfs/dbraw/zinc/86/61/25/1040866125.db2.gz IMCPDKWSPYSNSA-VNXMGFANSA-N 2 1 397.563 3.733 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001255149452 1040868345 /nfs/dbraw/zinc/86/83/45/1040868345.db2.gz HRTSZTCEZJLMRR-ZBYYUNFXSA-N 2 1 392.547 3.824 20 0 GHADMP FC(F)(F)c1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc(C(F)(F)F)c1 ZINC001235369559 1040870390 /nfs/dbraw/zinc/87/03/90/1040870390.db2.gz SIKNAORRBHAVFY-BZUAXINKSA-N 2 1 394.359 3.677 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150925 1040870846 /nfs/dbraw/zinc/87/08/46/1040870846.db2.gz QCEDPETZIBBEBR-CBPXPLCBSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150925 1040870853 /nfs/dbraw/zinc/87/08/53/1040870853.db2.gz QCEDPETZIBBEBR-CBPXPLCBSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150925 1040870862 /nfs/dbraw/zinc/87/08/62/1040870862.db2.gz QCEDPETZIBBEBR-CBPXPLCBSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150925 1040870872 /nfs/dbraw/zinc/87/08/72/1040870872.db2.gz QCEDPETZIBBEBR-CBPXPLCBSA-N 2 1 393.531 3.739 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c2c1 ZINC001235377980 1040891542 /nfs/dbraw/zinc/89/15/42/1040891542.db2.gz YKLMWUUQQTTZOX-QPPBQGQZSA-N 2 1 389.499 3.534 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC[C@H]1C)C2 ZINC001255199839 1040903273 /nfs/dbraw/zinc/90/32/73/1040903273.db2.gz JIGTWFUVJICBQG-ZADIZFFCSA-N 2 1 399.579 3.886 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235385825 1040905455 /nfs/dbraw/zinc/90/54/55/1040905455.db2.gz VHJAORLIPXEPFG-FWZKLSDOSA-N 2 1 390.527 3.626 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001235398407 1040912035 /nfs/dbraw/zinc/91/20/35/1040912035.db2.gz VNRZSDSQWQQENY-UYAOXDASSA-N 2 1 383.511 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001255230595 1040918897 /nfs/dbraw/zinc/91/88/97/1040918897.db2.gz WMVJRBDPDBKAQB-LWYYNNOASA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001255230595 1040918913 /nfs/dbraw/zinc/91/89/13/1040918913.db2.gz WMVJRBDPDBKAQB-LWYYNNOASA-N 2 1 377.573 3.771 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424748 1040926270 /nfs/dbraw/zinc/92/62/70/1040926270.db2.gz IGTOVEVMRDZBAY-KGLIPLIRSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424748 1040926276 /nfs/dbraw/zinc/92/62/76/1040926276.db2.gz IGTOVEVMRDZBAY-KGLIPLIRSA-N 2 1 385.321 3.808 20 0 GHADMP CSc1ncc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(NC2CCCC2)n1 ZINC001235427384 1040929052 /nfs/dbraw/zinc/92/90/52/1040929052.db2.gz RFSOOIAUBBNFER-IRXDYDNUSA-N 2 1 389.613 3.765 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431650 1040933227 /nfs/dbraw/zinc/93/32/27/1040933227.db2.gz VKPASEISRXGHER-RTBURBONSA-N 2 1 383.511 3.607 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235433083 1040934258 /nfs/dbraw/zinc/93/42/58/1040934258.db2.gz XBOJUILYQUIANV-CABCVRRESA-N 2 1 397.357 3.678 20 0 GHADMP Brc1ccc2oc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433201 1040934880 /nfs/dbraw/zinc/93/48/80/1040934880.db2.gz XUTGIRHEHRRPAC-ZIAGYGMSSA-N 2 1 378.314 3.802 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@@H+](Cc2cc4c(s2)C[NH2+]CC4)CC3)c1 ZINC001235481473 1040955403 /nfs/dbraw/zinc/95/54/03/1040955403.db2.gz AHBVTZIMQJPFHX-UHFFFAOYSA-N 2 1 394.519 3.591 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255379942 1040971652 /nfs/dbraw/zinc/97/16/52/1040971652.db2.gz YQLSGSHYOYKEOG-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255379942 1040971664 /nfs/dbraw/zinc/97/16/64/1040971664.db2.gz YQLSGSHYOYKEOG-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255379942 1040971670 /nfs/dbraw/zinc/97/16/70/1040971670.db2.gz YQLSGSHYOYKEOG-ACESQOTJSA-N 2 1 384.564 3.952 20 0 GHADMP O=C(c1ccccc1)N1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255382070 1040972690 /nfs/dbraw/zinc/97/26/90/1040972690.db2.gz BKTPHUXVRIWILW-QHCPKHFHSA-N 2 1 391.559 3.936 20 0 GHADMP Fc1cccnc1O[C@@H]1COC2(C1)CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001235534247 1040978119 /nfs/dbraw/zinc/97/81/19/1040978119.db2.gz LGARFWPAUYXOFQ-IBGZPJMESA-N 2 1 391.531 3.535 20 0 GHADMP O=C(c1cccc(F)c1)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255391080 1040979219 /nfs/dbraw/zinc/97/92/19/1040979219.db2.gz NOXLJXBVVHTWNE-PKTZIBPZSA-N 2 1 395.522 3.685 20 0 GHADMP O=C(NC1CCCC1)N1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391458 1040979523 /nfs/dbraw/zinc/97/95/23/1040979523.db2.gz QKRSUGSPRFTTCG-JOCHJYFZSA-N 2 1 398.595 3.747 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255395018 1040982099 /nfs/dbraw/zinc/98/20/99/1040982099.db2.gz XVOZXMCVPTVMAO-LJQANCHMSA-N 2 1 375.557 3.934 20 0 GHADMP FC1(F)CC[N@H+](CCC[NH2+]C2CCCCC2)C[C@]12CCN(c1ccccn1)C2 ZINC001235549934 1040982889 /nfs/dbraw/zinc/98/28/89/1040982889.db2.gz MZOCUHHSYNJMBJ-NRFANRHFSA-N 2 1 392.538 3.932 20 0 GHADMP FC1(F)CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@]12CCN(c1ccccn1)C2 ZINC001235549934 1040982890 /nfs/dbraw/zinc/98/28/90/1040982890.db2.gz MZOCUHHSYNJMBJ-NRFANRHFSA-N 2 1 392.538 3.932 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255397837 1040984227 /nfs/dbraw/zinc/98/42/27/1040984227.db2.gz QJZDDHWZVDDNJW-CMOCDZPBSA-N 2 1 399.579 3.886 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399372 1040984505 /nfs/dbraw/zinc/98/45/05/1040984505.db2.gz QVBXPOHIXNTAEJ-GUDVDZBRSA-N 2 1 388.449 3.768 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399372 1040984506 /nfs/dbraw/zinc/98/45/06/1040984506.db2.gz QVBXPOHIXNTAEJ-GUDVDZBRSA-N 2 1 388.449 3.768 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399372 1040984515 /nfs/dbraw/zinc/98/45/15/1040984515.db2.gz QVBXPOHIXNTAEJ-GUDVDZBRSA-N 2 1 388.449 3.768 20 0 GHADMP CN(CC[N@@H+](C)[C@H]1CCC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399623 1040985620 /nfs/dbraw/zinc/98/56/20/1040985620.db2.gz WMDQLMXPLUPKJI-FQEVSTJZSA-N 2 1 375.557 3.840 20 0 GHADMP CN(CC[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399623 1040985630 /nfs/dbraw/zinc/98/56/30/1040985630.db2.gz WMDQLMXPLUPKJI-FQEVSTJZSA-N 2 1 375.557 3.840 20 0 GHADMP CN(CC[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399623 1040985633 /nfs/dbraw/zinc/98/56/33/1040985633.db2.gz WMDQLMXPLUPKJI-FQEVSTJZSA-N 2 1 375.557 3.840 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(C[C@@H]3Cc4ccccc4C[NH2+]3)C[C@@H]21 ZINC001235558681 1040987266 /nfs/dbraw/zinc/98/72/66/1040987266.db2.gz LFSCQGFWRFDXAW-AWAHEQQVSA-N 2 1 395.616 3.995 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)CC2)cc1 ZINC001255402687 1040989541 /nfs/dbraw/zinc/98/95/41/1040989541.db2.gz LXUSODLAERCIKQ-JOCHJYFZSA-N 2 1 396.579 3.705 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)CC2)cc1 ZINC001255402687 1040989544 /nfs/dbraw/zinc/98/95/44/1040989544.db2.gz LXUSODLAERCIKQ-JOCHJYFZSA-N 2 1 396.579 3.705 20 0 GHADMP Fc1cccnc1O[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235598111 1041007348 /nfs/dbraw/zinc/00/73/48/1041007348.db2.gz SNWHGZXGEAZEHN-SIKLNZKXSA-N 2 1 391.531 3.535 20 0 GHADMP Fc1cccnc1O[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235598111 1041007373 /nfs/dbraw/zinc/00/73/73/1041007373.db2.gz SNWHGZXGEAZEHN-SIKLNZKXSA-N 2 1 391.531 3.535 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5c4NCC5)CC3)C2)cc1 ZINC001235610768 1041027076 /nfs/dbraw/zinc/02/70/76/1041027076.db2.gz UCYNRPUZAZXUAX-UHFFFAOYSA-N 2 1 391.559 3.830 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235645361 1041083798 /nfs/dbraw/zinc/08/37/98/1041083798.db2.gz UTHNWSFQYBMDCB-LRGNLBRXSA-N 2 1 378.507 3.589 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235645361 1041083813 /nfs/dbraw/zinc/08/38/13/1041083813.db2.gz UTHNWSFQYBMDCB-LRGNLBRXSA-N 2 1 378.507 3.589 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CCOC(C)(C)C1)CC2 ZINC001255543576 1041120755 /nfs/dbraw/zinc/12/07/55/1041120755.db2.gz HBOPAOAWUAPJAI-MSOLQXFVSA-N 2 1 378.582 3.761 20 0 GHADMP C[NH2+]CC1CC[NH+](Cc2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC001235678134 1041137710 /nfs/dbraw/zinc/13/77/10/1041137710.db2.gz CXXVHKALTTWABI-UHFFFAOYSA-N 2 1 381.236 3.779 20 0 GHADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)cc1 ZINC001235680635 1041144363 /nfs/dbraw/zinc/14/43/63/1041144363.db2.gz VCJSMOXEITYQSD-JOCHJYFZSA-N 2 1 375.520 3.842 20 0 GHADMP Cc1cc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)c(OCc2ccccc2)cc1C ZINC001235703441 1041181607 /nfs/dbraw/zinc/18/16/07/1041181607.db2.gz SMJONWVSEZISTA-UHFFFAOYSA-N 2 1 393.575 3.752 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H](C)CC(F)(F)F)CC2 ZINC001255650876 1041191415 /nfs/dbraw/zinc/19/14/15/1041191415.db2.gz JLLNEWWKZOCYFN-AEFFLSMTSA-N 2 1 385.474 3.725 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717033 1041244551 /nfs/dbraw/zinc/24/45/51/1041244551.db2.gz PZWQWXLNAUHZMD-ZWKOTPCHSA-N 2 1 384.490 3.972 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCC[C@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717033 1041244566 /nfs/dbraw/zinc/24/45/66/1041244566.db2.gz PZWQWXLNAUHZMD-ZWKOTPCHSA-N 2 1 384.490 3.972 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001255743975 1041266118 /nfs/dbraw/zinc/26/61/18/1041266118.db2.gz XNPWEFVCQLESGG-LRXVAGHRSA-N 2 1 392.584 3.987 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001255743975 1041266130 /nfs/dbraw/zinc/26/61/30/1041266130.db2.gz XNPWEFVCQLESGG-LRXVAGHRSA-N 2 1 392.584 3.987 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001255743975 1041266148 /nfs/dbraw/zinc/26/61/48/1041266148.db2.gz XNPWEFVCQLESGG-LRXVAGHRSA-N 2 1 392.584 3.987 20 0 GHADMP CC(C)c1cc(Br)cc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)c1 ZINC001235822788 1041341268 /nfs/dbraw/zinc/34/12/68/1041341268.db2.gz SMUYNPADJGVZOI-UHFFFAOYSA-N 2 1 394.401 3.832 20 0 GHADMP c1c(C[N@@H+](Cc2ccccc2)C2CCOCC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235840358 1041368288 /nfs/dbraw/zinc/36/82/88/1041368288.db2.gz KDRVBJGDOJOCDZ-UHFFFAOYSA-N 2 1 375.516 3.926 20 0 GHADMP Fc1ccc([C@H]2CSCC[N@@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235864904 1041399161 /nfs/dbraw/zinc/39/91/61/1041399161.db2.gz KILFIEVHBFUAKZ-JOCHJYFZSA-N 2 1 385.552 3.521 20 0 GHADMP Fc1ccc([C@H]2CSCC[N@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235864904 1041399178 /nfs/dbraw/zinc/39/91/78/1041399178.db2.gz KILFIEVHBFUAKZ-JOCHJYFZSA-N 2 1 385.552 3.521 20 0 GHADMP COc1cccc(OC)c1CN1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001255922708 1041409876 /nfs/dbraw/zinc/40/98/76/1041409876.db2.gz PINUAXMUYIAHHK-LJQANCHMSA-N 2 1 389.584 3.522 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H](CF)[C@@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001255958720 1041436272 /nfs/dbraw/zinc/43/62/72/1041436272.db2.gz FFGRJXWYYNAZGG-BZSNNMDCSA-N 2 1 385.568 3.682 20 0 GHADMP CCOc1c(Br)cc(C)cc1C[N@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235940393 1041445789 /nfs/dbraw/zinc/44/57/89/1041445789.db2.gz QAYBULPLHBIBSY-UHFFFAOYSA-N 2 1 399.373 3.747 20 0 GHADMP CCOc1c(Br)cc(C)cc1C[N@@H+](CCCOC)C1CC[NH2+]CC1 ZINC001235940393 1041445807 /nfs/dbraw/zinc/44/58/07/1041445807.db2.gz QAYBULPLHBIBSY-UHFFFAOYSA-N 2 1 399.373 3.747 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235957266 1041464605 /nfs/dbraw/zinc/46/46/05/1041464605.db2.gz LODXJZWCAVDZOR-GFCCVEGCSA-N 2 1 381.236 3.779 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@@H]1CCC[NH2+]C1 ZINC001235957266 1041464611 /nfs/dbraw/zinc/46/46/11/1041464611.db2.gz LODXJZWCAVDZOR-GFCCVEGCSA-N 2 1 381.236 3.779 20 0 GHADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011062 1041504281 /nfs/dbraw/zinc/50/42/81/1041504281.db2.gz PONJQSZOTXOEAR-UZLBHIALSA-N 2 1 386.421 3.555 20 0 GHADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236011062 1041504285 /nfs/dbraw/zinc/50/42/85/1041504285.db2.gz PONJQSZOTXOEAR-UZLBHIALSA-N 2 1 386.421 3.555 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012411 1041504865 /nfs/dbraw/zinc/50/48/65/1041504865.db2.gz JYMBMSFDQIHWGM-SDHSZQHLSA-N 2 1 375.560 3.514 20 0 GHADMP Brc1cccc(CCC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236012422 1041506419 /nfs/dbraw/zinc/50/64/19/1041506419.db2.gz KBYPVWQLBRJNRS-CTNGQTDRSA-N 2 1 385.349 3.855 20 0 GHADMP CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@@H+](C3CC[NH+](C4CC4)CC3)C[C@H]21 ZINC001256076285 1041509262 /nfs/dbraw/zinc/50/92/62/1041509262.db2.gz XKWAYNXDPHIYDO-FCHUYYIVSA-N 2 1 397.563 3.832 20 0 GHADMP CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+](C3CC[NH+](C4CC4)CC3)C[C@H]21 ZINC001256076285 1041509271 /nfs/dbraw/zinc/50/92/71/1041509271.db2.gz XKWAYNXDPHIYDO-FCHUYYIVSA-N 2 1 397.563 3.832 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076241 1041509824 /nfs/dbraw/zinc/50/98/24/1041509824.db2.gz WTWZQVDQETVXLM-OALUTQOASA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076241 1041509841 /nfs/dbraw/zinc/50/98/41/1041509841.db2.gz WTWZQVDQETVXLM-OALUTQOASA-N 2 1 391.600 3.972 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2cc(C)c(-c3ccc(F)cc3)c(C)c2)CC1 ZINC001236066923 1041519429 /nfs/dbraw/zinc/51/94/29/1041519429.db2.gz PWHKUSNBPCLFNC-QFIPXVFZSA-N 2 1 384.495 3.822 20 0 GHADMP COc1ccccc1Sc1ccc(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc1 ZINC001236079252 1041524572 /nfs/dbraw/zinc/52/45/72/1041524572.db2.gz MZMMKNSHBOVLBW-HXUWFJFHSA-N 2 1 397.588 3.701 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001236097108 1041533345 /nfs/dbraw/zinc/53/33/45/1041533345.db2.gz HTQFQNIBJBSGDE-GOSISDBHSA-N 2 1 391.515 3.533 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)C1(C)CC[NH2+]CC1 ZINC001236227087 1041632244 /nfs/dbraw/zinc/63/22/44/1041632244.db2.gz ZKHQPWNRQWWJSF-UHFFFAOYSA-N 3 1 392.591 3.583 20 0 GHADMP CN(Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)C1(C)CC[NH2+]CC1 ZINC001236227087 1041632253 /nfs/dbraw/zinc/63/22/53/1041632253.db2.gz ZKHQPWNRQWWJSF-UHFFFAOYSA-N 2 1 392.591 3.583 20 0 GHADMP Cc1nnn(-c2ccc(F)cc2)c1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236232835 1041635216 /nfs/dbraw/zinc/63/52/16/1041635216.db2.gz WSZNZKAWSCKKNN-UHFFFAOYSA-N 2 1 393.510 3.987 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cccc(N3CCOCC3)c2)CC2CC[NH2+]CC2)cc1 ZINC001236384773 1041692304 /nfs/dbraw/zinc/69/23/04/1041692304.db2.gz BXMISJDOGDPKNY-UHFFFAOYSA-N 2 1 397.538 3.664 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]c4cc(Br)ncc34)CC2)C1 ZINC001278930436 1041703852 /nfs/dbraw/zinc/70/38/52/1041703852.db2.gz ILZXYKFFGMKUKJ-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP CC[N@@H+](Cc1cc(OC)c(OC)cc1OCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236407114 1041703890 /nfs/dbraw/zinc/70/38/90/1041703890.db2.gz CAMHHKUIBSWTJT-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OC)cc1OCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001236407114 1041703896 /nfs/dbraw/zinc/70/38/96/1041703896.db2.gz CAMHHKUIBSWTJT-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236439922 1041711797 /nfs/dbraw/zinc/71/17/97/1041711797.db2.gz ICLLNKUNTKHOQW-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236439922 1041711803 /nfs/dbraw/zinc/71/18/03/1041711803.db2.gz ICLLNKUNTKHOQW-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP C[C@H](Cc1ccccn1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001256413803 1041723290 /nfs/dbraw/zinc/72/32/90/1041723290.db2.gz BSQJJQWMFMQAOF-OFNKIYASSA-N 2 1 379.548 3.768 20 0 GHADMP C[C@H](Cc1ccccn1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001256415760 1041724403 /nfs/dbraw/zinc/72/44/03/1041724403.db2.gz NCWLPSWZFSTGHX-UYAOXDASSA-N 2 1 385.577 3.830 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3c(ccn3C)c2)C2CC[NH2+]CC2)c1 ZINC001236464237 1041725997 /nfs/dbraw/zinc/72/59/97/1041725997.db2.gz CMAIQPHJMZOEDO-UHFFFAOYSA-N 2 1 391.515 3.719 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3c(ccn3C)c2)C2CC[NH2+]CC2)c1 ZINC001236464237 1041726004 /nfs/dbraw/zinc/72/60/04/1041726004.db2.gz CMAIQPHJMZOEDO-UHFFFAOYSA-N 2 1 391.515 3.719 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3ncccc23)C2CC[NH2+]CC2)c1 ZINC001236466042 1041728709 /nfs/dbraw/zinc/72/87/09/1041728709.db2.gz WRABJNMSDNLGPV-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3ncccc23)C2CC[NH2+]CC2)c1 ZINC001236466042 1041728712 /nfs/dbraw/zinc/72/87/12/1041728712.db2.gz WRABJNMSDNLGPV-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3c(c2)CCCN3)C2CC[NH2+]CC2)c1 ZINC001236467096 1041729544 /nfs/dbraw/zinc/72/95/44/1041729544.db2.gz OZBVIUKZRODPKA-UHFFFAOYSA-N 2 1 393.531 3.586 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3c(c2)CCCN3)C2CC[NH2+]CC2)c1 ZINC001236467096 1041729546 /nfs/dbraw/zinc/72/95/46/1041729546.db2.gz OZBVIUKZRODPKA-UHFFFAOYSA-N 2 1 393.531 3.586 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001236501679 1041741756 /nfs/dbraw/zinc/74/17/56/1041741756.db2.gz IHLGZBJOQPQOEJ-QAQDUYKDSA-N 2 1 394.506 3.888 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001236501679 1041741759 /nfs/dbraw/zinc/74/17/59/1041741759.db2.gz IHLGZBJOQPQOEJ-QAQDUYKDSA-N 2 1 394.506 3.888 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc(F)c1O ZINC001236534254 1041755397 /nfs/dbraw/zinc/75/53/97/1041755397.db2.gz UIKSNORIOFXMFR-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(N3CCOCC3)c2)Cc2ccccc2F)CC1 ZINC001236540530 1041756469 /nfs/dbraw/zinc/75/64/69/1041756469.db2.gz LPXKOSDJTLWNMP-HZCBDIJESA-N 2 1 397.538 3.934 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCCO3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544125 1041757577 /nfs/dbraw/zinc/75/75/77/1041757577.db2.gz BXSRLZZTMKTQJT-MXVIHJGJSA-N 2 1 382.504 3.739 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001236564032 1041765193 /nfs/dbraw/zinc/76/51/93/1041765193.db2.gz CFLHLOOABNOHNF-QAQDUYKDSA-N 2 1 375.419 3.675 20 0 GHADMP CC(C)c1cc(Br)cc(CN2CCC(N3CC[C@H]([NH3+])C3)CC2)c1 ZINC001236622062 1041787404 /nfs/dbraw/zinc/78/74/04/1041787404.db2.gz NKZVOMXCDAGCII-SFHVURJKSA-N 2 1 380.374 3.570 20 0 GHADMP Fc1cc(I)ccc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636843 1041797663 /nfs/dbraw/zinc/79/76/63/1041797663.db2.gz KGTWXFQLUHRIAM-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP Fc1cc(I)ccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236636843 1041797667 /nfs/dbraw/zinc/79/76/67/1041797667.db2.gz KGTWXFQLUHRIAM-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)n1 ZINC001236647410 1041801446 /nfs/dbraw/zinc/80/14/46/1041801446.db2.gz IZHNVWYGQFGMOH-NRFANRHFSA-N 2 1 397.519 3.728 20 0 GHADMP COc1cc2ccccc2cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001236676138 1041822378 /nfs/dbraw/zinc/82/23/78/1041822378.db2.gz PMWLFUNHUZSVPK-UHFFFAOYSA-N 2 1 390.531 3.699 20 0 GHADMP COc1ccc(OC)c(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236722129 1041856588 /nfs/dbraw/zinc/85/65/88/1041856588.db2.gz DYZKJZXQCQOOBL-WGSAOQKQSA-N 2 1 383.536 3.867 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780019 1041887406 /nfs/dbraw/zinc/88/74/06/1041887406.db2.gz PBJQDMQCPLYAKE-WGSAOQKQSA-N 2 1 377.548 3.780 20 0 GHADMP c1ncn(-c2cccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c2)n1 ZINC001236886452 1041940509 /nfs/dbraw/zinc/94/05/09/1041940509.db2.gz DZQWUWKMGBDLGJ-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2)n1 ZINC001236886452 1041940513 /nfs/dbraw/zinc/94/05/13/1041940513.db2.gz DZQWUWKMGBDLGJ-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2cccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2)n1 ZINC001236886452 1041940518 /nfs/dbraw/zinc/94/05/18/1041940518.db2.gz DZQWUWKMGBDLGJ-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c(F)c1 ZINC001236961558 1041970569 /nfs/dbraw/zinc/97/05/69/1041970569.db2.gz CJHFNMDBVFJCIQ-NSCUHMNNSA-N 2 1 392.490 3.753 20 0 GHADMP COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)c1 ZINC001236973728 1041973630 /nfs/dbraw/zinc/97/36/30/1041973630.db2.gz NFCMJCPBDKHGLR-JOCHJYFZSA-N 2 1 383.511 3.923 20 0 GHADMP COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)c1 ZINC001236973728 1041973632 /nfs/dbraw/zinc/97/36/32/1041973632.db2.gz NFCMJCPBDKHGLR-JOCHJYFZSA-N 2 1 383.511 3.923 20 0 GHADMP Cc1ccc(-c2cncc(C[N@@H+]3CCc4ncc(Cn5cccn5)n4CC3)c2)cc1 ZINC001236994698 1041981946 /nfs/dbraw/zinc/98/19/46/1041981946.db2.gz NNWQNIYQHWEZQQ-UHFFFAOYSA-N 2 1 398.514 3.557 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Br)cccc1OC(F)F ZINC001237081983 1042027388 /nfs/dbraw/zinc/02/73/88/1042027388.db2.gz MDGYNJNPDAOIND-YOGCLGLASA-N 2 1 375.257 3.752 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc(C3CCC3)cc2)CC1 ZINC001237104232 1042038198 /nfs/dbraw/zinc/03/81/98/1042038198.db2.gz ARQGYCVIOWIFFJ-DNQXCXABSA-N 2 1 395.591 3.861 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1sc(=O)[nH]c1Cl)CC2 ZINC001237157903 1042069694 /nfs/dbraw/zinc/06/96/94/1042069694.db2.gz KCGBKKAGLVSFJT-OAHLLOKOSA-N 2 1 381.929 3.972 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@H]1CN1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001237192027 1042087319 /nfs/dbraw/zinc/08/73/19/1042087319.db2.gz RSCWXUMYMUKVJX-NEPJUHHUSA-N 2 1 396.284 3.745 20 0 GHADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c2cccccc1-2 ZINC001237191934 1042087449 /nfs/dbraw/zinc/08/74/49/1042087449.db2.gz YOKGYPUJHKEHAG-ILBGXUMGSA-N 2 1 387.527 3.909 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cccccc1-2 ZINC001237191934 1042087463 /nfs/dbraw/zinc/08/74/63/1042087463.db2.gz YOKGYPUJHKEHAG-ILBGXUMGSA-N 2 1 387.527 3.909 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c2cccccc1-2 ZINC001237191934 1042087468 /nfs/dbraw/zinc/08/74/68/1042087468.db2.gz YOKGYPUJHKEHAG-ILBGXUMGSA-N 2 1 387.527 3.909 20 0 GHADMP OCCOc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001237200092 1042089108 /nfs/dbraw/zinc/08/91/08/1042089108.db2.gz WHYUFZXBYQIGEG-UHFFFAOYSA-N 2 1 386.561 3.607 20 0 GHADMP O=C1N(CCn2ccnc2)CC[C@@]12CCC[N@H+](Cc1ccsc1Cl)CC2 ZINC001278070177 1042094809 /nfs/dbraw/zinc/09/48/09/1042094809.db2.gz HWRXQZBTVQKCQD-IBGZPJMESA-N 2 1 392.956 3.503 20 0 GHADMP Fc1ccc(C[C@H]2CCC[N@H+]2Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)cc1 ZINC001237249741 1042107083 /nfs/dbraw/zinc/10/70/83/1042107083.db2.gz RUJWCBGMAUDFPR-OAQYLSRUSA-N 2 1 393.510 3.543 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)ccc2[nH]1 ZINC001237308686 1042138012 /nfs/dbraw/zinc/13/80/12/1042138012.db2.gz ZRPZEHHUHUVRPQ-ROUUACIJSA-N 2 1 395.528 3.580 20 0 GHADMP COc1ccc2c(c1)n[nH]c2C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001237394594 1042188105 /nfs/dbraw/zinc/18/81/05/1042188105.db2.gz SAOYCIXHBJMEKJ-UHFFFAOYSA-N 2 1 378.520 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001237394594 1042188109 /nfs/dbraw/zinc/18/81/09/1042188109.db2.gz SAOYCIXHBJMEKJ-UHFFFAOYSA-N 2 1 378.520 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001237394594 1042188115 /nfs/dbraw/zinc/18/81/15/1042188115.db2.gz SAOYCIXHBJMEKJ-UHFFFAOYSA-N 2 1 378.520 3.916 20 0 GHADMP Fc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cnc1Cl ZINC001237400142 1042191153 /nfs/dbraw/zinc/19/11/53/1042191153.db2.gz KXUVRZMLHDVMER-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)CCC12C[NH2+]C2 ZINC001237430735 1042205503 /nfs/dbraw/zinc/20/55/03/1042205503.db2.gz MSCSPOFWVPTINA-GOSISDBHSA-N 2 1 388.895 3.575 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001237708819 1042336296 /nfs/dbraw/zinc/33/62/96/1042336296.db2.gz RIPWQRCLXXPLJS-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP c1nc(C2CC2)sc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001237788421 1042370173 /nfs/dbraw/zinc/37/01/73/1042370173.db2.gz JHMQQEKKXJIKKE-UHFFFAOYSA-N 2 1 383.561 3.888 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4C[C@H](C(=O)NC5CCC5)C[C@@H]4C3)cc21 ZINC001237877524 1042405575 /nfs/dbraw/zinc/40/55/75/1042405575.db2.gz ACJLCFZMECJVDN-MZADTFQBSA-N 2 1 393.575 3.815 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)c1 ZINC001237879594 1042406966 /nfs/dbraw/zinc/40/69/66/1042406966.db2.gz NVAQAXIHZLBONK-HXUWFJFHSA-N 2 1 379.504 3.745 20 0 GHADMP CCOc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)ccc1C ZINC001238081105 1042484216 /nfs/dbraw/zinc/48/42/16/1042484216.db2.gz VOBXFXYHWKLOCP-UHFFFAOYSA-N 2 1 382.552 3.634 20 0 GHADMP CC(C)Oc1cccc(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1F ZINC001238423741 1042592026 /nfs/dbraw/zinc/59/20/26/1042592026.db2.gz ZCEWTLKJKYTYGG-NFBKMPQASA-N 2 1 390.543 3.793 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC001238607593 1042657294 /nfs/dbraw/zinc/65/72/94/1042657294.db2.gz IHTMGEHVWGVIKO-UHFFFAOYSA-N 2 1 396.579 3.607 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(F)cn1 ZINC001238735386 1042707514 /nfs/dbraw/zinc/70/75/14/1042707514.db2.gz OTGALGCKVUNGCH-UXHICEINSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)cn1 ZINC001238735386 1042707519 /nfs/dbraw/zinc/70/75/19/1042707519.db2.gz OTGALGCKVUNGCH-UXHICEINSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(F)cn1 ZINC001238735386 1042707522 /nfs/dbraw/zinc/70/75/22/1042707522.db2.gz OTGALGCKVUNGCH-UXHICEINSA-N 2 1 383.511 3.963 20 0 GHADMP C[NH+]1CCN(c2ccc(-c3ccc4nc([C@H]5[NH2+][C@@H]6CC[C@H]5C6)[nH]c4c3)cc2)CC1 ZINC001240854100 1042959154 /nfs/dbraw/zinc/95/91/54/1042959154.db2.gz FPKXRASNBQDLLN-YYDVJCTNSA-N 2 1 387.531 3.795 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256529675 1043461151 /nfs/dbraw/zinc/46/11/51/1043461151.db2.gz FDVOSMFZBYKSPC-IEBWSBKVSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256529675 1043461164 /nfs/dbraw/zinc/46/11/64/1043461164.db2.gz FDVOSMFZBYKSPC-IEBWSBKVSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530610 1043461229 /nfs/dbraw/zinc/46/12/29/1043461229.db2.gz CUFCCOLOUDPOCJ-XUZZJYLKSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530610 1043461237 /nfs/dbraw/zinc/46/12/37/1043461237.db2.gz CUFCCOLOUDPOCJ-XUZZJYLKSA-N 3 1 392.591 3.936 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256534604 1043470020 /nfs/dbraw/zinc/47/00/20/1043470020.db2.gz SRXQKNCRKUMURS-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256534604 1043470024 /nfs/dbraw/zinc/47/00/24/1043470024.db2.gz SRXQKNCRKUMURS-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256534607 1043470459 /nfs/dbraw/zinc/47/04/59/1043470459.db2.gz SRXQKNCRKUMURS-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256534607 1043470473 /nfs/dbraw/zinc/47/04/73/1043470473.db2.gz SRXQKNCRKUMURS-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256534579 1043470502 /nfs/dbraw/zinc/47/05/02/1043470502.db2.gz SGORUFWZXHDDPV-NMNUPHIUSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256534579 1043470515 /nfs/dbraw/zinc/47/05/15/1043470515.db2.gz SGORUFWZXHDDPV-NMNUPHIUSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cccnc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534887 1043471913 /nfs/dbraw/zinc/47/19/13/1043471913.db2.gz AGQYHCVNTGEAOR-NFBKMPQASA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cccnc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256534887 1043471928 /nfs/dbraw/zinc/47/19/28/1043471928.db2.gz AGQYHCVNTGEAOR-NFBKMPQASA-N 2 1 379.548 3.773 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256535013 1043472446 /nfs/dbraw/zinc/47/24/46/1043472446.db2.gz WFVABARANKPKPP-WMZHIEFXSA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256535013 1043472461 /nfs/dbraw/zinc/47/24/61/1043472461.db2.gz WFVABARANKPKPP-WMZHIEFXSA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256535012 1043474182 /nfs/dbraw/zinc/47/41/82/1043474182.db2.gz WFVABARANKPKPP-CVDCTZTESA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256535012 1043474200 /nfs/dbraw/zinc/47/42/00/1043474200.db2.gz WFVABARANKPKPP-CVDCTZTESA-N 2 1 380.532 3.935 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548670 1043510248 /nfs/dbraw/zinc/51/02/48/1043510248.db2.gz BWUIIFBIAIAVMC-NRSPTQNISA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548670 1043510256 /nfs/dbraw/zinc/51/02/56/1043510256.db2.gz BWUIIFBIAIAVMC-NRSPTQNISA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548670 1043510268 /nfs/dbraw/zinc/51/02/68/1043510268.db2.gz BWUIIFBIAIAVMC-NRSPTQNISA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548670 1043510279 /nfs/dbraw/zinc/51/02/79/1043510279.db2.gz BWUIIFBIAIAVMC-NRSPTQNISA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256549981 1043511780 /nfs/dbraw/zinc/51/17/80/1043511780.db2.gz KLHUEISPZOMZDB-XXBNENTESA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256549981 1043511789 /nfs/dbraw/zinc/51/17/89/1043511789.db2.gz KLHUEISPZOMZDB-XXBNENTESA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256550489 1043513916 /nfs/dbraw/zinc/51/39/16/1043513916.db2.gz MRPCLQLEHCUJJB-YMPZKCBVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256550489 1043513925 /nfs/dbraw/zinc/51/39/25/1043513925.db2.gz MRPCLQLEHCUJJB-YMPZKCBVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550489 1043513930 /nfs/dbraw/zinc/51/39/30/1043513930.db2.gz MRPCLQLEHCUJJB-YMPZKCBVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550489 1043513942 /nfs/dbraw/zinc/51/39/42/1043513942.db2.gz MRPCLQLEHCUJJB-YMPZKCBVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256553504 1043521566 /nfs/dbraw/zinc/52/15/66/1043521566.db2.gz HWCYAUPEVWHFRU-QPPBQGQZSA-N 2 1 375.560 3.857 20 0 GHADMP C[C@H]1C[C@H](N2CCC([NH+](C)C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256556447 1043525279 /nfs/dbraw/zinc/52/52/79/1043525279.db2.gz ZFMPXLZQMZFBRP-GBXCKJPGSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@H](N2CCC([N@H+](C)C3CCOCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256556447 1043525283 /nfs/dbraw/zinc/52/52/83/1043525283.db2.gz ZFMPXLZQMZFBRP-GBXCKJPGSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@H](N2CCC([N@@H+](C)C3CCOCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256556447 1043525294 /nfs/dbraw/zinc/52/52/94/1043525294.db2.gz ZFMPXLZQMZFBRP-GBXCKJPGSA-N 2 1 385.596 3.615 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256556128 1043525846 /nfs/dbraw/zinc/52/58/46/1043525846.db2.gz XFKQAJUYRMPMDP-XUZZJYLKSA-N 2 1 393.575 3.866 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256556128 1043525849 /nfs/dbraw/zinc/52/58/49/1043525849.db2.gz XFKQAJUYRMPMDP-XUZZJYLKSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557637 1043530261 /nfs/dbraw/zinc/53/02/61/1043530261.db2.gz NXEDWOFDNRJGLA-OFNKIYASSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256557637 1043530266 /nfs/dbraw/zinc/53/02/66/1043530266.db2.gz NXEDWOFDNRJGLA-OFNKIYASSA-N 2 1 395.591 3.764 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1=O ZINC001256572048 1043544376 /nfs/dbraw/zinc/54/43/76/1043544376.db2.gz NUYAPSIJNARRMN-DEOSSOPVSA-N 2 1 383.580 3.896 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587230 1043556265 /nfs/dbraw/zinc/55/62/65/1043556265.db2.gz CDQJAEDWORPIJX-RDPSFJRHSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587230 1043556271 /nfs/dbraw/zinc/55/62/71/1043556271.db2.gz CDQJAEDWORPIJX-RDPSFJRHSA-N 2 1 378.564 3.546 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C4CCN(Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592566 1043558931 /nfs/dbraw/zinc/55/89/31/1043558931.db2.gz GTVUKIZNDMIIHM-RUZDIDTESA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C4CCN(Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592566 1043558938 /nfs/dbraw/zinc/55/89/38/1043558938.db2.gz GTVUKIZNDMIIHM-RUZDIDTESA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C4CCN(Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592566 1043558945 /nfs/dbraw/zinc/55/89/45/1043558945.db2.gz GTVUKIZNDMIIHM-RUZDIDTESA-N 2 1 390.575 3.644 20 0 GHADMP CC(C)(C)C(=O)N1CCC(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256599304 1043563287 /nfs/dbraw/zinc/56/32/87/1043563287.db2.gz PFLUWYMTRWCXFF-UHFFFAOYSA-N 2 1 385.596 3.915 20 0 GHADMP CC1(COc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2F)COC1 ZINC001256602209 1043565506 /nfs/dbraw/zinc/56/55/06/1043565506.db2.gz QMLNVOXMSOHETQ-UHFFFAOYSA-N 2 1 398.522 3.995 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001292012266 1043565905 /nfs/dbraw/zinc/56/59/05/1043565905.db2.gz XRABUDHXFKBXOI-MBDNFAEBSA-N 2 1 399.623 3.812 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2C2CCN(Cc3ccccc3)CC2)N1c1ccccc1 ZINC001256606435 1043570343 /nfs/dbraw/zinc/57/03/43/1043570343.db2.gz TVXWFSBKHAXDRA-DNQXCXABSA-N 2 1 389.543 3.921 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)N1c1ccccc1 ZINC001256606435 1043570358 /nfs/dbraw/zinc/57/03/58/1043570358.db2.gz TVXWFSBKHAXDRA-DNQXCXABSA-N 2 1 389.543 3.921 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)N1c1ccccc1 ZINC001256606435 1043570371 /nfs/dbraw/zinc/57/03/71/1043570371.db2.gz TVXWFSBKHAXDRA-DNQXCXABSA-N 2 1 389.543 3.921 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@H]21 ZINC001256612955 1043577127 /nfs/dbraw/zinc/57/71/27/1043577127.db2.gz SVNGXFNVRYKVIP-KSEOMHKRSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001256612955 1043577131 /nfs/dbraw/zinc/57/71/31/1043577131.db2.gz SVNGXFNVRYKVIP-KSEOMHKRSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001256612955 1043577139 /nfs/dbraw/zinc/57/71/39/1043577139.db2.gz SVNGXFNVRYKVIP-KSEOMHKRSA-N 2 1 399.579 3.886 20 0 GHADMP CC1(C)[N@H+](C2CCN(Cc3ccccc3)CC2)CC[C@@]12c1ccccc1OC2=O ZINC001256613857 1043577592 /nfs/dbraw/zinc/57/75/92/1043577592.db2.gz XDMBRLJWBRGBAF-VWLOTQADSA-N 2 1 390.527 3.992 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256696843 1043628655 /nfs/dbraw/zinc/62/86/55/1043628655.db2.gz NUIVXISHHSNVDG-WMCAYINRSA-N 2 1 392.584 3.605 20 0 GHADMP Fc1ccc(Cl)c(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001278968024 1043692405 /nfs/dbraw/zinc/69/24/05/1043692405.db2.gz FNJXFJQLTKVPIK-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP COc1cccc(C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001256854137 1043703287 /nfs/dbraw/zinc/70/32/87/1043703287.db2.gz KNZYTQWGFQRQKO-AQYVVDRMSA-N 3 1 394.563 3.831 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@H]3O2)sc1C ZINC001256859076 1043706401 /nfs/dbraw/zinc/70/64/01/1043706401.db2.gz ISIMLVQQZOSXMS-IOMROCGXSA-N 2 1 398.576 3.976 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861899 1043707730 /nfs/dbraw/zinc/70/77/30/1043707730.db2.gz YTXRYJKMTBSCMW-XMMPIXPASA-N 3 1 376.548 3.648 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861899 1043707736 /nfs/dbraw/zinc/70/77/36/1043707736.db2.gz YTXRYJKMTBSCMW-XMMPIXPASA-N 3 1 376.548 3.648 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861899 1043707747 /nfs/dbraw/zinc/70/77/47/1043707747.db2.gz YTXRYJKMTBSCMW-XMMPIXPASA-N 3 1 376.548 3.648 20 0 GHADMP c1ccc(CN2CC[C@@]3(CC[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861899 1043707756 /nfs/dbraw/zinc/70/77/56/1043707756.db2.gz YTXRYJKMTBSCMW-XMMPIXPASA-N 2 1 376.548 3.648 20 0 GHADMP c1ccc(CN2CC[C@@]3(CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C3)C2)cc1 ZINC001256861899 1043707766 /nfs/dbraw/zinc/70/77/66/1043707766.db2.gz YTXRYJKMTBSCMW-XMMPIXPASA-N 2 1 376.548 3.648 20 0 GHADMP CCOC(=O)[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1c1ccccc1 ZINC001256862237 1043707970 /nfs/dbraw/zinc/70/79/70/1043707970.db2.gz KQPXVSQNVRNBTG-GOTSBHOMSA-N 2 1 393.531 3.719 20 0 GHADMP FC(F)(F)c1cccc(OC2C[NH+](C3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC001256860915 1043708252 /nfs/dbraw/zinc/70/82/52/1043708252.db2.gz KVMGJDAOOWAMFP-UHFFFAOYSA-N 2 1 377.410 3.832 20 0 GHADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865669 1043710241 /nfs/dbraw/zinc/71/02/41/1043710241.db2.gz PJZKSLPUCHSYGT-UHFFFAOYSA-N 2 1 382.527 3.786 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865718 1043711057 /nfs/dbraw/zinc/71/10/57/1043711057.db2.gz SLFPQWGGHGRRQS-HXUWFJFHSA-N 2 1 379.504 3.506 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@@H](c2ccccc2)C1 ZINC001256865314 1043711249 /nfs/dbraw/zinc/71/12/49/1043711249.db2.gz XNHLTZWTFXLVPP-SIKLNZKXSA-N 2 1 379.504 3.677 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894536 1043727691 /nfs/dbraw/zinc/72/76/91/1043727691.db2.gz LBSMYHQVSMNVLC-LCLWPZTBSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894536 1043727701 /nfs/dbraw/zinc/72/77/01/1043727701.db2.gz LBSMYHQVSMNVLC-LCLWPZTBSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)C[C@@H]2C1 ZINC001256894890 1043728543 /nfs/dbraw/zinc/72/85/43/1043728543.db2.gz NVWYGPCCYHQBBV-FCGDIQPGSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)C[C@@H]2C1 ZINC001256894890 1043728558 /nfs/dbraw/zinc/72/85/58/1043728558.db2.gz NVWYGPCCYHQBBV-FCGDIQPGSA-N 2 1 377.573 3.629 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN([C@H]4CCC[NH+](C5CCCC5)C4)CC[N@H+]3C2)cc1 ZINC001256918539 1043746274 /nfs/dbraw/zinc/74/62/74/1043746274.db2.gz PSPKGLFCLOPRBT-WPFOTENUSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN([C@H]4CCC[N@@H+](C5CCCC5)C4)CC[NH+]3C2)cc1 ZINC001256918539 1043746284 /nfs/dbraw/zinc/74/62/84/1043746284.db2.gz PSPKGLFCLOPRBT-WPFOTENUSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN([C@H]4CCC[N@H+](C5CCCC5)C4)CC[NH+]3C2)cc1 ZINC001256918539 1043746297 /nfs/dbraw/zinc/74/62/97/1043746297.db2.gz PSPKGLFCLOPRBT-WPFOTENUSA-N 2 1 383.580 3.539 20 0 GHADMP CCC[NH+](CCC)CCCN1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256924170 1043753796 /nfs/dbraw/zinc/75/37/96/1043753796.db2.gz ONRMLQMXMQBAGH-HSZRJFAPSA-N 2 1 378.649 3.523 20 0 GHADMP O[C@H]1COCC[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C1 ZINC001256932068 1043758268 /nfs/dbraw/zinc/75/82/68/1043758268.db2.gz MAOGBPMHDCKAMV-DDJHWDJXSA-N 2 1 394.559 3.693 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256950607 1043769800 /nfs/dbraw/zinc/76/98/00/1043769800.db2.gz HZVUUXJTTUXQAA-JSXRDJHFSA-N 2 1 385.552 3.621 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257154117 1043902717 /nfs/dbraw/zinc/90/27/17/1043902717.db2.gz LAWHPTKULZVAGM-TZYHBYERSA-N 2 1 395.547 3.961 20 0 GHADMP COCCC[N@@H+](C1CCN(C(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001257218667 1043940088 /nfs/dbraw/zinc/94/00/88/1043940088.db2.gz VXLBFZSMSJDOQU-HXUWFJFHSA-N 2 1 397.604 3.597 20 0 GHADMP COCCC[N@H+](C1CC[NH+](C(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001257218667 1043940093 /nfs/dbraw/zinc/94/00/93/1043940093.db2.gz VXLBFZSMSJDOQU-HXUWFJFHSA-N 2 1 397.604 3.597 20 0 GHADMP COCCC[N@@H+](C1CC[NH+](C(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001257218667 1043940102 /nfs/dbraw/zinc/94/01/02/1043940102.db2.gz VXLBFZSMSJDOQU-HXUWFJFHSA-N 2 1 397.604 3.597 20 0 GHADMP CC(C)N1CCC([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CC1 ZINC001257218565 1043940319 /nfs/dbraw/zinc/94/03/19/1043940319.db2.gz WNVAEJSMTJMNBR-UHFFFAOYSA-N 2 1 375.582 3.549 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CC1 ZINC001257218565 1043940326 /nfs/dbraw/zinc/94/03/26/1043940326.db2.gz WNVAEJSMTJMNBR-UHFFFAOYSA-N 2 1 375.582 3.549 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CC1 ZINC001257218565 1043940329 /nfs/dbraw/zinc/94/03/29/1043940329.db2.gz WNVAEJSMTJMNBR-UHFFFAOYSA-N 2 1 375.582 3.549 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001257563245 1044048513 /nfs/dbraw/zinc/04/85/13/1044048513.db2.gz DXKSDTAEBZNEIX-INIZCTEOSA-N 2 1 395.385 3.955 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257563245 1044048526 /nfs/dbraw/zinc/04/85/26/1044048526.db2.gz DXKSDTAEBZNEIX-INIZCTEOSA-N 2 1 395.385 3.955 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001257645242 1044096936 /nfs/dbraw/zinc/09/69/36/1044096936.db2.gz WFSJPUSRBLZFCF-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(OC)c(Br)cc3OC)(C1)CCC2 ZINC001279034128 1044115777 /nfs/dbraw/zinc/11/57/77/1044115777.db2.gz BCBLAUYQUZLHJR-ZWKOTPCHSA-N 2 1 383.330 3.621 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[nH+]1 ZINC001293341379 1044124181 /nfs/dbraw/zinc/12/41/81/1044124181.db2.gz HTHBZYQTSZQMQY-IBGZPJMESA-N 2 1 377.492 3.711 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2CCC4(COC4)CC2)CC3)c1 ZINC001257907600 1044256401 /nfs/dbraw/zinc/25/64/01/1044256401.db2.gz QBOKIGUYDWNJIR-UHFFFAOYSA-N 2 1 384.564 3.942 20 0 GHADMP C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)CC1 ZINC001257971057 1044291141 /nfs/dbraw/zinc/29/11/41/1044291141.db2.gz SLZRKCOSWSVHEE-NHCUHLMSSA-N 2 1 387.568 3.681 20 0 GHADMP COCCN1CCOC[C@@]2(CCC[N@H+](C3CCC(c4ccccc4)CC3)C2)C1 ZINC001257996897 1044324815 /nfs/dbraw/zinc/32/48/15/1044324815.db2.gz MDIYICFCFUDHAS-VHYCJAOWSA-N 2 1 386.580 3.774 20 0 GHADMP CC(C)C[NH+]1CCC(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001258019778 1044345512 /nfs/dbraw/zinc/34/55/12/1044345512.db2.gz HHPLOGBMZQUAJO-UHFFFAOYSA-N 2 1 389.559 3.527 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCN(CCc3ccccc3)CC2)CC1 ZINC001258138136 1044424062 /nfs/dbraw/zinc/42/40/62/1044424062.db2.gz RLASIJQCVRUWJU-RQNOJGIXSA-N 2 1 392.591 3.861 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccncc2)C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258138136 1044424067 /nfs/dbraw/zinc/42/40/67/1044424067.db2.gz RLASIJQCVRUWJU-RQNOJGIXSA-N 3 1 392.591 3.861 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258138136 1044424071 /nfs/dbraw/zinc/42/40/71/1044424071.db2.gz RLASIJQCVRUWJU-RQNOJGIXSA-N 3 1 392.591 3.861 20 0 GHADMP C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146440 1044435639 /nfs/dbraw/zinc/43/56/39/1044435639.db2.gz XVQMYGIZXLOUQG-NRFANRHFSA-N 2 1 387.568 3.635 20 0 GHADMP C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146440 1044435643 /nfs/dbraw/zinc/43/56/43/1044435643.db2.gz XVQMYGIZXLOUQG-NRFANRHFSA-N 2 1 387.568 3.635 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258148311 1044439244 /nfs/dbraw/zinc/43/92/44/1044439244.db2.gz GGLYCCRBRBCJQA-JOCHJYFZSA-N 2 1 395.547 3.641 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258148311 1044439248 /nfs/dbraw/zinc/43/92/48/1044439248.db2.gz GGLYCCRBRBCJQA-JOCHJYFZSA-N 2 1 395.547 3.641 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H](C)Cc4cccnc4)CC3)C2)cc1 ZINC001258628722 1044677912 /nfs/dbraw/zinc/67/79/12/1044677912.db2.gz ZVQCKVJXAMSLDK-OAQYLSRUSA-N 2 1 379.548 3.688 20 0 GHADMP CCCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001258709473 1044725400 /nfs/dbraw/zinc/72/54/00/1044725400.db2.gz HVURLJWSIRYEJE-ZCNNSNEGSA-N 2 1 375.557 3.714 20 0 GHADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258849782 1044791824 /nfs/dbraw/zinc/79/18/24/1044791824.db2.gz UONZBZUYMZXGSN-WXFUMESZSA-N 2 1 379.548 3.626 20 0 GHADMP CC[C@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258849782 1044791833 /nfs/dbraw/zinc/79/18/33/1044791833.db2.gz UONZBZUYMZXGSN-WXFUMESZSA-N 2 1 379.548 3.626 20 0 GHADMP CC[C@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258849782 1044791840 /nfs/dbraw/zinc/79/18/40/1044791840.db2.gz UONZBZUYMZXGSN-WXFUMESZSA-N 2 1 379.548 3.626 20 0 GHADMP COc1cc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])cc(OC)c1OC ZINC001258861511 1044801151 /nfs/dbraw/zinc/80/11/51/1044801151.db2.gz GBWXTTIJJFMTFX-ROUUACIJSA-N 2 1 386.536 3.740 20 0 GHADMP CCOC[C@@H]1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)Cc2ncn(CC3CC3)c21 ZINC001258911074 1044866225 /nfs/dbraw/zinc/86/62/25/1044866225.db2.gz ZRSFZSFFKAKKAY-QUCCMNQESA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)Cc2ncn(CC3CC3)c21 ZINC001258911074 1044866252 /nfs/dbraw/zinc/86/62/52/1044866252.db2.gz ZRSFZSFFKAKKAY-QUCCMNQESA-N 2 1 376.589 3.739 20 0 GHADMP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065638 1045240659 /nfs/dbraw/zinc/24/06/59/1045240659.db2.gz MUMLCESWRGMAGQ-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065638 1045240671 /nfs/dbraw/zinc/24/06/71/1045240671.db2.gz MUMLCESWRGMAGQ-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065638 1045240681 /nfs/dbraw/zinc/24/06/81/1045240681.db2.gz MUMLCESWRGMAGQ-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483778135 1045329269 /nfs/dbraw/zinc/32/92/69/1045329269.db2.gz UVWXJOXUOWDBSY-HSZRJFAPSA-N 2 1 398.595 3.747 20 0 GHADMP Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC001298608202 1045893467 /nfs/dbraw/zinc/89/34/67/1045893467.db2.gz GFXGOGOIVVAHKX-NKKJXINNSA-N 2 1 393.575 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[N@H+]2C1 ZINC001303171509 1047302360 /nfs/dbraw/zinc/30/23/60/1047302360.db2.gz VTUKUBGEKNNRON-LGKPFJOYSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[NH+]2C1 ZINC001303171509 1047302370 /nfs/dbraw/zinc/30/23/70/1047302370.db2.gz VTUKUBGEKNNRON-LGKPFJOYSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N(C)C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[NH+]2C1 ZINC001303171509 1047302383 /nfs/dbraw/zinc/30/23/83/1047302383.db2.gz VTUKUBGEKNNRON-LGKPFJOYSA-N 2 1 383.580 3.620 20 0 GHADMP Fc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1F ZINC001279248388 1047748188 /nfs/dbraw/zinc/74/81/88/1047748188.db2.gz CAKULTYMRLFXEN-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1F ZINC001279248388 1047748192 /nfs/dbraw/zinc/74/81/92/1047748192.db2.gz CAKULTYMRLFXEN-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1F ZINC001279248388 1047748195 /nfs/dbraw/zinc/74/81/95/1047748195.db2.gz CAKULTYMRLFXEN-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3nc(Cl)ccc3F)C[C@H]2CC1 ZINC001279552120 1047838493 /nfs/dbraw/zinc/83/84/93/1047838493.db2.gz YOKFBPYKTJARIG-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3nc(Cl)ccc3F)C[C@H]2CC1 ZINC001279552120 1047838497 /nfs/dbraw/zinc/83/84/97/1047838497.db2.gz YOKFBPYKTJARIG-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3nc(Cl)ccc3F)C[C@H]2CC1 ZINC001279552120 1047838501 /nfs/dbraw/zinc/83/85/01/1047838501.db2.gz YOKFBPYKTJARIG-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3nc(Cl)ccc3F)C[C@H]2CC1 ZINC001279552120 1047838508 /nfs/dbraw/zinc/83/85/08/1047838508.db2.gz YOKFBPYKTJARIG-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP COc1cc(Cl)ccc1C[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001279610048 1047866655 /nfs/dbraw/zinc/86/66/55/1047866655.db2.gz MSQJDRFEZCSFCC-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1cc(Cl)ccc1C[NH+]1CCC2(CCCN(CC[NH+](C)C)C2)CC1 ZINC001279610048 1047866668 /nfs/dbraw/zinc/86/66/68/1047866668.db2.gz MSQJDRFEZCSFCC-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP O=c1cccc(C[N@H+]2CCCC3(CC[NH+](CC4CCSCC4)CC3)C2)[nH]1 ZINC001279645253 1047888828 /nfs/dbraw/zinc/88/88/28/1047888828.db2.gz PTBKUTFHLDHDMV-UHFFFAOYSA-N 2 1 375.582 3.608 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(Br)c1 ZINC001280099861 1048080477 /nfs/dbraw/zinc/08/04/77/1048080477.db2.gz UHGFHADAWSFUTJ-AZUAARDMSA-N 2 1 394.401 3.640 20 0 GHADMP CSc1cc(C)cc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c1 ZINC001280166673 1048112612 /nfs/dbraw/zinc/11/26/12/1048112612.db2.gz AXCFFMQTNAHJIL-QFIPXVFZSA-N 2 1 375.626 3.957 20 0 GHADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(C)c1I ZINC001280184391 1048121321 /nfs/dbraw/zinc/12/13/21/1048121321.db2.gz GTGXMVCPZZJMAS-CALCHBBNSA-N 2 1 398.332 3.682 20 0 GHADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(C)c1I ZINC001280184391 1048121331 /nfs/dbraw/zinc/12/13/31/1048121331.db2.gz GTGXMVCPZZJMAS-CALCHBBNSA-N 2 1 398.332 3.682 20 0 GHADMP CC1(C)OC[C@@H](C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)O1 ZINC001280227318 1048136936 /nfs/dbraw/zinc/13/69/36/1048136936.db2.gz NRGQCVXKWZPRKP-MRXNPFEDSA-N 2 1 378.479 3.658 20 0 GHADMP C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307440022 1049276274 /nfs/dbraw/zinc/27/62/74/1049276274.db2.gz KEXBWCBWWWQQDB-SDHOMARFSA-N 2 1 394.559 3.723 20 0 GHADMP C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307440022 1049276287 /nfs/dbraw/zinc/27/62/87/1049276287.db2.gz KEXBWCBWWWQQDB-SDHOMARFSA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307440022 1049276300 /nfs/dbraw/zinc/27/63/00/1049276300.db2.gz KEXBWCBWWWQQDB-SDHOMARFSA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307440022 1049276311 /nfs/dbraw/zinc/27/63/11/1049276311.db2.gz KEXBWCBWWWQQDB-SDHOMARFSA-N 2 1 394.559 3.723 20 0 GHADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001307445748 1049281553 /nfs/dbraw/zinc/28/15/53/1049281553.db2.gz IDVNGWUQLMGFNU-DEOSSOPVSA-N 2 1 399.623 3.960 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001307456807 1049292441 /nfs/dbraw/zinc/29/24/41/1049292441.db2.gz XVRNUAYYERXRCY-WOJBJXKFSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001307456807 1049292450 /nfs/dbraw/zinc/29/24/50/1049292450.db2.gz XVRNUAYYERXRCY-WOJBJXKFSA-N 2 1 379.589 3.974 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1)CC1CC1 ZINC001307606891 1049445806 /nfs/dbraw/zinc/44/58/06/1049445806.db2.gz SXFPIKACUXJQDG-QFIPXVFZSA-N 2 1 387.543 3.765 20 0 GHADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001307791446 1049595331 /nfs/dbraw/zinc/59/53/31/1049595331.db2.gz IPCWXVAXUDWWEZ-LQWHRVPQSA-N 2 1 383.511 3.564 20 0 GHADMP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC001307963412 1049725543 /nfs/dbraw/zinc/72/55/43/1049725543.db2.gz XHYYKVIZSJVZGR-LPHOPBHVSA-N 2 1 377.960 3.571 20 0 GHADMP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC001307963412 1049725551 /nfs/dbraw/zinc/72/55/51/1049725551.db2.gz XHYYKVIZSJVZGR-LPHOPBHVSA-N 2 1 377.960 3.571 20 0 GHADMP C[N@@H+]1C[C@]2(C)C[NH+](CCCCOc3ccc(Br)cc3)C[C@]2(C)C1 ZINC001307978074 1049735639 /nfs/dbraw/zinc/73/56/39/1049735639.db2.gz ILYMYEFBIUUKLC-KDURUIRLSA-N 2 1 381.358 3.882 20 0 GHADMP C[N@H+]1C[C@]2(C)C[NH+](CCCCOc3ccc(Br)cc3)C[C@]2(C)C1 ZINC001307978074 1049735643 /nfs/dbraw/zinc/73/56/43/1049735643.db2.gz ILYMYEFBIUUKLC-KDURUIRLSA-N 2 1 381.358 3.882 20 0 GHADMP C[NH+]1C[C@]2(C)C[N@H+](CCCCOc3ccc(Br)cc3)C[C@]2(C)C1 ZINC001307978074 1049735646 /nfs/dbraw/zinc/73/56/46/1049735646.db2.gz ILYMYEFBIUUKLC-KDURUIRLSA-N 2 1 381.358 3.882 20 0 GHADMP C[NH+]1C[C@]2(C)C[N@@H+](CCCCOc3ccc(Br)cc3)C[C@]2(C)C1 ZINC001307978074 1049735649 /nfs/dbraw/zinc/73/56/49/1049735649.db2.gz ILYMYEFBIUUKLC-KDURUIRLSA-N 2 1 381.358 3.882 20 0 GHADMP CC(C)C[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)CC1CC[NH+](C)CC1 ZINC001308027562 1049779253 /nfs/dbraw/zinc/77/92/53/1049779253.db2.gz JVHBEFRFCHMGMY-QGZVFWFLSA-N 2 1 395.538 3.784 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCSC[C@@H]1c1ccccc1)c1ccccc1 ZINC001308041092 1049791709 /nfs/dbraw/zinc/79/17/09/1049791709.db2.gz SPDCPAMZEFKGMB-FCHUYYIVSA-N 2 1 397.588 3.586 20 0 GHADMP O[C@]1(c2ccc(Br)cc2)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001308128312 1049872825 /nfs/dbraw/zinc/87/28/25/1049872825.db2.gz HXURKQRQWGADNV-LJQANCHMSA-N 2 1 381.358 3.609 20 0 GHADMP O[C@]1(c2ccc(Br)cc2)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001308128312 1049872831 /nfs/dbraw/zinc/87/28/31/1049872831.db2.gz HXURKQRQWGADNV-LJQANCHMSA-N 2 1 381.358 3.609 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)CC(C)C ZINC001308195997 1049908406 /nfs/dbraw/zinc/90/84/06/1049908406.db2.gz HHQUHEQNSTYBLL-RTWAWAEBSA-N 2 1 387.568 3.934 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)CC(C)C ZINC001308195997 1049908412 /nfs/dbraw/zinc/90/84/12/1049908412.db2.gz HHQUHEQNSTYBLL-RTWAWAEBSA-N 2 1 387.568 3.934 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC ZINC001308260348 1049929302 /nfs/dbraw/zinc/92/93/02/1049929302.db2.gz HLHINNVAKAEKSE-XLIONFOSSA-N 2 1 376.541 3.606 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)c1)O[C@@H](C)C2 ZINC001308488157 1049988036 /nfs/dbraw/zinc/98/80/36/1049988036.db2.gz IQZJMHSEWXYXPQ-KGVIQGDOSA-N 2 1 380.532 3.876 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)c1)O[C@@H](C)C2 ZINC001308488157 1049988037 /nfs/dbraw/zinc/98/80/37/1049988037.db2.gz IQZJMHSEWXYXPQ-KGVIQGDOSA-N 2 1 380.532 3.876 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC[NH+](Cc2ccccc2)C1 ZINC001308693417 1050061563 /nfs/dbraw/zinc/06/15/63/1050061563.db2.gz TWXBHTBSYURXBA-SEDAZVQISA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001308693417 1050061565 /nfs/dbraw/zinc/06/15/65/1050061565.db2.gz TWXBHTBSYURXBA-SEDAZVQISA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308693417 1050061566 /nfs/dbraw/zinc/06/15/66/1050061566.db2.gz TWXBHTBSYURXBA-SEDAZVQISA-N 2 1 383.580 3.511 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)[C@H](c2ccccc2)C1 ZINC001308831795 1050113789 /nfs/dbraw/zinc/11/37/89/1050113789.db2.gz LINNHRRRLBDIGE-MHTWAQMVSA-N 2 1 399.579 3.757 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001328713565 1050601979 /nfs/dbraw/zinc/60/19/79/1050601979.db2.gz LTQZUEXNLQGOMW-HXUWFJFHSA-N 2 1 398.595 3.594 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001329710684 1050891207 /nfs/dbraw/zinc/89/12/07/1050891207.db2.gz NXRSLILEIRWWCE-GBXCKJPGSA-N 2 1 379.548 3.984 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001329710684 1050891214 /nfs/dbraw/zinc/89/12/14/1050891214.db2.gz NXRSLILEIRWWCE-GBXCKJPGSA-N 2 1 379.548 3.984 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001330154367 1050966806 /nfs/dbraw/zinc/96/68/06/1050966806.db2.gz MZPSJFLCYOXPCA-MBJRSGMTSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001310447535 1051363399 /nfs/dbraw/zinc/36/33/99/1051363399.db2.gz VTYAUSUUPUUBNC-PGRDOPGGSA-N 2 1 384.568 3.565 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC001332898480 1051596641 /nfs/dbraw/zinc/59/66/41/1051596641.db2.gz PKRNJKBMQCHDQW-WBMBYIAYSA-N 2 1 377.532 3.802 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001311401177 1052102660 /nfs/dbraw/zinc/10/26/60/1052102660.db2.gz VQUAULXZNMCPKP-RZUBCFFCSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311404984 1052111385 /nfs/dbraw/zinc/11/13/85/1052111385.db2.gz GXJPHYOVKSKHHV-URVUXULASA-N 2 1 386.584 3.728 20 0 GHADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC001311496305 1052201913 /nfs/dbraw/zinc/20/19/13/1052201913.db2.gz LHEKDNOCUXCMGP-VQTJNVASSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC001311571302 1052254220 /nfs/dbraw/zinc/25/42/20/1052254220.db2.gz KHKOWALOZUXLKR-OALUTQOASA-N 2 1 392.613 3.647 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(Cl)cc1 ZINC001311876750 1052451212 /nfs/dbraw/zinc/45/12/12/1052451212.db2.gz DVFIZPZSXCJXJT-SLFFLAALSA-N 2 1 394.991 3.895 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCC[NH+](C)C1CCCC1 ZINC001311921469 1052477937 /nfs/dbraw/zinc/47/79/37/1052477937.db2.gz MPMANXJQLRCWEX-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC001311921469 1052477942 /nfs/dbraw/zinc/47/79/42/1052477942.db2.gz MPMANXJQLRCWEX-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC001311921469 1052477948 /nfs/dbraw/zinc/47/79/48/1052477948.db2.gz MPMANXJQLRCWEX-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCC[NH+](C)Cc2ccco2)C1 ZINC001311956295 1052500527 /nfs/dbraw/zinc/50/05/27/1052500527.db2.gz ULVUCDRDAUPWOA-LJQANCHMSA-N 2 1 392.588 3.644 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC001311956295 1052500533 /nfs/dbraw/zinc/50/05/33/1052500533.db2.gz ULVUCDRDAUPWOA-LJQANCHMSA-N 2 1 392.588 3.644 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001311956295 1052500540 /nfs/dbraw/zinc/50/05/40/1052500540.db2.gz ULVUCDRDAUPWOA-LJQANCHMSA-N 2 1 392.588 3.644 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCC[NH+](C)Cc2ccco2)C1 ZINC001311956294 1052501007 /nfs/dbraw/zinc/50/10/07/1052501007.db2.gz ULVUCDRDAUPWOA-IBGZPJMESA-N 2 1 392.588 3.644 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC001311956294 1052501020 /nfs/dbraw/zinc/50/10/20/1052501020.db2.gz ULVUCDRDAUPWOA-IBGZPJMESA-N 2 1 392.588 3.644 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC001311956294 1052501030 /nfs/dbraw/zinc/50/10/30/1052501030.db2.gz ULVUCDRDAUPWOA-IBGZPJMESA-N 2 1 392.588 3.644 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001312573531 1052795959 /nfs/dbraw/zinc/79/59/59/1052795959.db2.gz KBAKCCMEMIJQDQ-CTNGQTDRSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001312573531 1052795967 /nfs/dbraw/zinc/79/59/67/1052795967.db2.gz KBAKCCMEMIJQDQ-CTNGQTDRSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001312573531 1052795974 /nfs/dbraw/zinc/79/59/74/1052795974.db2.gz KBAKCCMEMIJQDQ-CTNGQTDRSA-N 2 1 388.600 3.707 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[NH+](C)C1CC1 ZINC001312829366 1052886523 /nfs/dbraw/zinc/88/65/23/1052886523.db2.gz ZXQYNSKVCYNZRY-SLFFLAALSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001313004820 1052931963 /nfs/dbraw/zinc/93/19/63/1052931963.db2.gz WYUHCZNVBUWAMB-HDAAZOAOSA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001313004820 1052931967 /nfs/dbraw/zinc/93/19/67/1052931967.db2.gz WYUHCZNVBUWAMB-HDAAZOAOSA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001313004820 1052931968 /nfs/dbraw/zinc/93/19/68/1052931968.db2.gz WYUHCZNVBUWAMB-HDAAZOAOSA-N 2 1 386.584 3.552 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC001319096049 1055034879 /nfs/dbraw/zinc/03/48/79/1055034879.db2.gz XXNPFTMLENJPGA-FCEUIQTBSA-N 2 1 386.584 3.632 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001320158819 1055681960 /nfs/dbraw/zinc/68/19/60/1055681960.db2.gz AHOFYCICPAURMC-WTOYTKOKSA-N 2 1 383.511 3.646 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)c2)CC1 ZINC001321370064 1056237225 /nfs/dbraw/zinc/23/72/25/1056237225.db2.gz JRVKMVWIQOIRFZ-LADGPHEKSA-N 2 1 378.564 3.645 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCCN2Cc2cccnc2)cc1Cl ZINC001321527929 1056303402 /nfs/dbraw/zinc/30/34/02/1056303402.db2.gz QIXJQEZOGAMGDH-HXUWFJFHSA-N 2 1 386.927 3.790 20 0 GHADMP CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001200623098 1056513765 /nfs/dbraw/zinc/51/37/65/1056513765.db2.gz VPZIACHOPLRZJB-GOSISDBHSA-N 2 1 389.540 3.624 20 0 GHADMP C[NH+](C)CCC[N@H+](C)CCNc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC001472828172 1056922550 /nfs/dbraw/zinc/92/25/50/1056922550.db2.gz CFXIXIYARAUBHY-UHFFFAOYSA-N 2 1 387.597 3.743 20 0 GHADMP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C2CC2)nc2sc3c(c21)CCCC3 ZINC001472828172 1056922554 /nfs/dbraw/zinc/92/25/54/1056922554.db2.gz CFXIXIYARAUBHY-UHFFFAOYSA-N 2 1 387.597 3.743 20 0 GHADMP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1=CC[NH+](C)CC1 ZINC001324110625 1057072186 /nfs/dbraw/zinc/07/21/86/1057072186.db2.gz GRUKJVYXDCYXFH-JJXTWPQTSA-N 2 1 396.579 3.522 20 0 GHADMP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC001324110625 1057072188 /nfs/dbraw/zinc/07/21/88/1057072188.db2.gz GRUKJVYXDCYXFH-JJXTWPQTSA-N 2 1 396.579 3.522 20 0 GHADMP C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC001324110625 1057072191 /nfs/dbraw/zinc/07/21/91/1057072191.db2.gz GRUKJVYXDCYXFH-JJXTWPQTSA-N 2 1 396.579 3.522 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](CSCC[NH+]1CCOCC1)c1ccccc1 ZINC001472972168 1057161724 /nfs/dbraw/zinc/16/17/24/1057161724.db2.gz CQMBTSJCFHGGEG-QHCPKHFHSA-N 2 1 384.589 3.968 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CSCC[NH+]1CCOCC1)c1ccccc1 ZINC001472972168 1057161728 /nfs/dbraw/zinc/16/17/28/1057161728.db2.gz CQMBTSJCFHGGEG-QHCPKHFHSA-N 2 1 384.589 3.968 20 0 GHADMP CC(C)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001324785941 1057226396 /nfs/dbraw/zinc/22/63/96/1057226396.db2.gz REJUDJACWDHCRA-NOTZXAQLSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC001324847641 1057236036 /nfs/dbraw/zinc/23/60/36/1057236036.db2.gz IDKPABDZVLQCNO-LJQANCHMSA-N 2 1 389.547 3.690 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)[NH+](C)C ZINC001325019079 1057264168 /nfs/dbraw/zinc/26/41/68/1057264168.db2.gz VWRRAXYAHWCWAA-PMOQBDJRSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)[NH+](C)C ZINC001325019079 1057264172 /nfs/dbraw/zinc/26/41/72/1057264172.db2.gz VWRRAXYAHWCWAA-PMOQBDJRSA-N 2 1 394.563 3.552 20 0 GHADMP COc1ccc([C@@H](CNC(=[NH2+])NCc2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000849054269 1057564981 /nfs/dbraw/zinc/56/49/81/1057564981.db2.gz ZRAYCDUOOXLCJH-JOCHJYFZSA-N 2 1 380.536 3.845 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccccc1Cl ZINC001338637710 1058702102 /nfs/dbraw/zinc/70/21/02/1058702102.db2.gz IUUXBXYNUZTSPU-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC001441351335 1058757169 /nfs/dbraw/zinc/75/71/69/1058757169.db2.gz HRFSEGQMHVDCNO-YMPZKCBVSA-N 2 1 385.596 3.629 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001441351335 1058757183 /nfs/dbraw/zinc/75/71/83/1058757183.db2.gz HRFSEGQMHVDCNO-YMPZKCBVSA-N 2 1 385.596 3.629 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001441351335 1058757201 /nfs/dbraw/zinc/75/72/01/1058757201.db2.gz HRFSEGQMHVDCNO-YMPZKCBVSA-N 2 1 385.596 3.629 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001442674018 1058992945 /nfs/dbraw/zinc/99/29/45/1058992945.db2.gz XABWBVMZPYWBOL-MQFRRQCYSA-N 2 1 383.580 3.730 20 0 GHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3N3CC[NH+](C)CC3)CC2)C1 ZINC001340530666 1059966140 /nfs/dbraw/zinc/96/61/40/1059966140.db2.gz YZQMERDCGJYPTN-REWPJTCUSA-N 3 1 384.612 3.571 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccc(Cl)cc1 ZINC001449266632 1060368533 /nfs/dbraw/zinc/36/85/33/1060368533.db2.gz RBMHLWZVPPKZRR-SFHVURJKSA-N 2 1 376.932 3.859 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccc(Cl)cc1 ZINC001449266632 1060368552 /nfs/dbraw/zinc/36/85/52/1060368552.db2.gz RBMHLWZVPPKZRR-SFHVURJKSA-N 2 1 376.932 3.859 20 0 GHADMP COc1cccc(C[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C2CC2)c1 ZINC001341082636 1060381497 /nfs/dbraw/zinc/38/14/97/1060381497.db2.gz CFCRNCCLVIDFEU-VWLOTQADSA-N 2 1 393.575 3.554 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001453209059 1061092076 /nfs/dbraw/zinc/09/20/76/1061092076.db2.gz GOOQVMPHPUQNJP-FUHWJXTLSA-N 2 1 393.641 3.901 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC001453209059 1061092089 /nfs/dbraw/zinc/09/20/89/1061092089.db2.gz GOOQVMPHPUQNJP-FUHWJXTLSA-N 2 1 393.641 3.901 20 0 GHADMP Cc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001492870447 1061953190 /nfs/dbraw/zinc/95/31/90/1061953190.db2.gz HUTUTVLCZPIFKB-UHFFFAOYSA-N 2 1 390.620 3.553 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3ccccc3N3CCC(C[NH+](C)C)CC3)C[N@H+]2C1 ZINC001346947056 1061999145 /nfs/dbraw/zinc/99/91/45/1061999145.db2.gz HILHFDYQOLFQHO-GIVPXCGWSA-N 2 1 398.595 3.524 20 0 GHADMP CC[C@H]1CN(CC)CC[NH+]1CC[Si](C)(C)CC[N@@H+]1CCN(CC)C[C@@H]1CC ZINC001348169836 1062944143 /nfs/dbraw/zinc/94/41/43/1062944143.db2.gz YZVUWOCLGLZDGZ-VXKWHMMOSA-N 2 1 396.740 3.527 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC001457967626 1063473522 /nfs/dbraw/zinc/47/35/22/1063473522.db2.gz FKYPFJQNCOCAGX-HCUBDLJJSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001457967626 1063473527 /nfs/dbraw/zinc/47/35/27/1063473527.db2.gz FKYPFJQNCOCAGX-HCUBDLJJSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001457967626 1063473535 /nfs/dbraw/zinc/47/35/35/1063473535.db2.gz FKYPFJQNCOCAGX-HCUBDLJJSA-N 2 1 391.559 3.564 20 0 GHADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC001459316640 1064060565 /nfs/dbraw/zinc/06/05/65/1064060565.db2.gz AVMFEUXFFNYWSQ-HXUWFJFHSA-N 2 1 384.486 3.805 20 0 GHADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC001459316640 1064060575 /nfs/dbraw/zinc/06/05/75/1064060575.db2.gz AVMFEUXFFNYWSQ-HXUWFJFHSA-N 2 1 384.486 3.805 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C2CCCC2)CC1 ZINC001459345622 1064069532 /nfs/dbraw/zinc/06/95/32/1064069532.db2.gz IKTQLXFBGDRNLI-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC001459345622 1064069536 /nfs/dbraw/zinc/06/95/36/1064069536.db2.gz IKTQLXFBGDRNLI-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC001459345622 1064069542 /nfs/dbraw/zinc/06/95/42/1064069542.db2.gz IKTQLXFBGDRNLI-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC001459609329 1064142193 /nfs/dbraw/zinc/14/21/93/1064142193.db2.gz LVYXFSNRJPGTDF-SQJMNOBHSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC001459609329 1064142197 /nfs/dbraw/zinc/14/21/97/1064142197.db2.gz LVYXFSNRJPGTDF-SQJMNOBHSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC001459609329 1064142203 /nfs/dbraw/zinc/14/22/03/1064142203.db2.gz LVYXFSNRJPGTDF-SQJMNOBHSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC001459609329 1064142209 /nfs/dbraw/zinc/14/22/09/1064142209.db2.gz LVYXFSNRJPGTDF-SQJMNOBHSA-N 2 1 391.559 3.722 20 0 GHADMP CCOC(=O)C1CCC(O)(C[NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)CC1 ZINC001459813828 1064228183 /nfs/dbraw/zinc/22/81/83/1064228183.db2.gz PFDLDHCREFPHRH-UHFFFAOYSA-N 2 1 396.616 3.551 20 0 GHADMP CC[N@@H+](CCC1CC1)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC001459913430 1064268420 /nfs/dbraw/zinc/26/84/20/1064268420.db2.gz NWQJUXDSJMRKLD-HXUWFJFHSA-N 2 1 377.960 3.715 20 0 GHADMP CC[N@H+](CCC1CC1)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001459913430 1064268427 /nfs/dbraw/zinc/26/84/27/1064268427.db2.gz NWQJUXDSJMRKLD-HXUWFJFHSA-N 2 1 377.960 3.715 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001463402961 1064317973 /nfs/dbraw/zinc/31/79/73/1064317973.db2.gz XCFOAOHUTUTXTR-MYDTUXCISA-N 2 1 383.580 3.538 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001459997678 1064330390 /nfs/dbraw/zinc/33/03/90/1064330390.db2.gz RWZBKZUFLVSNER-WIYYLYMNSA-N 2 1 383.511 3.963 20 0 GHADMP CCC(CC)[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001460045150 1064371384 /nfs/dbraw/zinc/37/13/84/1064371384.db2.gz CCLBSPVETURMIU-OAQYLSRUSA-N 2 1 379.976 3.913 20 0 GHADMP CCC(CC)[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001460045150 1064371392 /nfs/dbraw/zinc/37/13/92/1064371392.db2.gz CCLBSPVETURMIU-OAQYLSRUSA-N 2 1 379.976 3.913 20 0 GHADMP CCCCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001200046158 1065066951 /nfs/dbraw/zinc/06/69/51/1065066951.db2.gz JZJMAFFXYBTYJL-UHFFFAOYSA-N 2 1 381.564 3.903 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[C@H]1C ZINC001465372749 1065574379 /nfs/dbraw/zinc/57/43/79/1065574379.db2.gz CAGDZEPXESYLQH-BAGYTPMASA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[C@H]1C ZINC001465372749 1065574384 /nfs/dbraw/zinc/57/43/84/1065574384.db2.gz CAGDZEPXESYLQH-BAGYTPMASA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H]1C ZINC001465372749 1065574394 /nfs/dbraw/zinc/57/43/94/1065574394.db2.gz CAGDZEPXESYLQH-BAGYTPMASA-N 2 1 383.580 3.620 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC001465946820 1065933059 /nfs/dbraw/zinc/93/30/59/1065933059.db2.gz BICVOGIHUOUHKD-NRFANRHFSA-N 2 1 395.551 3.628 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001477597830 1078483937 /nfs/dbraw/zinc/48/39/37/1078483937.db2.gz GECKENGHQQSMAA-LPHOPBHVSA-N 2 1 394.991 3.752 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001467297813 1067208007 /nfs/dbraw/zinc/20/80/07/1067208007.db2.gz BBSOSMPSFLXUDQ-NKKJXINNSA-N 2 1 393.575 3.749 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)[NH+](C)C)cc1 ZINC001477651147 1078508623 /nfs/dbraw/zinc/50/86/23/1078508623.db2.gz YIRJGWZBVFSXRB-NZQKXSOJSA-N 2 1 394.563 3.686 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001477654890 1078510999 /nfs/dbraw/zinc/51/09/99/1078510999.db2.gz YULVWQLLYDIBKT-UNMCSNQZSA-N 2 1 388.600 3.563 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001467628448 1067389945 /nfs/dbraw/zinc/38/99/45/1067389945.db2.gz ABEFPUFACLSSAJ-XLIONFOSSA-N 2 1 394.991 3.897 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[NH+]2CCCC2)cc1 ZINC001477673322 1078520068 /nfs/dbraw/zinc/52/00/68/1078520068.db2.gz DKAUJESZSGKXDZ-JTHBVZDNSA-N 2 1 398.595 3.553 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC001467862193 1067503829 /nfs/dbraw/zinc/50/38/29/1067503829.db2.gz QBJXVNPDPNCXGN-HXUWFJFHSA-N 2 1 386.584 3.688 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001467951156 1067542838 /nfs/dbraw/zinc/54/28/38/1067542838.db2.gz VMTCZLXOTMSQNJ-HJNYFJLDSA-N 2 1 388.600 3.563 20 0 GHADMP Cc1nccc(NCc2cccc(C(=O)NC[C@H]3CC[N@H+]3C3CCCCC3)c2)n1 ZINC000529720259 1067629872 /nfs/dbraw/zinc/62/98/72/1067629872.db2.gz SHAGDFOTNZFJRA-OAQYLSRUSA-N 2 1 393.535 3.534 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)[NH+](C)C)cc1 ZINC001468351147 1067698862 /nfs/dbraw/zinc/69/88/62/1067698862.db2.gz MTYHPSOOWGDYFT-FGZHOGPDSA-N 2 1 386.584 3.694 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001468631122 1067798115 /nfs/dbraw/zinc/79/81/15/1067798115.db2.gz PPPRRUJLHIQLPH-NHCUHLMSSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001468631122 1067798122 /nfs/dbraw/zinc/79/81/22/1067798122.db2.gz PPPRRUJLHIQLPH-NHCUHLMSSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001468631122 1067798128 /nfs/dbraw/zinc/79/81/28/1067798128.db2.gz PPPRRUJLHIQLPH-NHCUHLMSSA-N 2 1 378.605 3.737 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001477865634 1078600852 /nfs/dbraw/zinc/60/08/52/1078600852.db2.gz SCTWSWZMEFMDMN-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001477865634 1078600859 /nfs/dbraw/zinc/60/08/59/1078600859.db2.gz SCTWSWZMEFMDMN-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001477865634 1078600866 /nfs/dbraw/zinc/60/08/66/1078600866.db2.gz SCTWSWZMEFMDMN-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP CCC(CC)(CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001468832122 1067904035 /nfs/dbraw/zinc/90/40/35/1067904035.db2.gz VLIYTNCNIRTLCE-WOJBJXKFSA-N 2 1 388.600 3.927 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001468872996 1067914464 /nfs/dbraw/zinc/91/44/64/1067914464.db2.gz KBNLXNXDDJBMIS-VSKRKVRLSA-N 2 1 384.568 3.530 20 0 GHADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001468978403 1067942824 /nfs/dbraw/zinc/94/28/24/1067942824.db2.gz TVOOFBFDSFYECB-HKUYNNGSSA-N 2 1 392.613 3.647 20 0 GHADMP CC(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC[N@H+](C)C(C)C ZINC001359718186 1068152340 /nfs/dbraw/zinc/15/23/40/1068152340.db2.gz VICANJRPAUCECI-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001469754807 1068363076 /nfs/dbraw/zinc/36/30/76/1068363076.db2.gz WBTDHZOQWGTBJE-CNNODRBYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001469754807 1068363089 /nfs/dbraw/zinc/36/30/89/1068363089.db2.gz WBTDHZOQWGTBJE-CNNODRBYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001469754807 1068363104 /nfs/dbraw/zinc/36/31/04/1068363104.db2.gz WBTDHZOQWGTBJE-CNNODRBYSA-N 2 1 390.616 3.736 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H](C2CCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460459971 1068970241 /nfs/dbraw/zinc/97/02/41/1068970241.db2.gz JEGUHUDGHOABIZ-HXUWFJFHSA-N 2 1 387.593 3.686 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001478597194 1078929657 /nfs/dbraw/zinc/92/96/57/1078929657.db2.gz XQNKBYLEMNQPJI-XWUOBKMESA-N 2 1 386.584 3.554 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001478597194 1078929661 /nfs/dbraw/zinc/92/96/61/1078929661.db2.gz XQNKBYLEMNQPJI-XWUOBKMESA-N 2 1 386.584 3.554 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001478597194 1078929663 /nfs/dbraw/zinc/92/96/63/1078929663.db2.gz XQNKBYLEMNQPJI-XWUOBKMESA-N 2 1 386.584 3.554 20 0 GHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1ccco1 ZINC001478619470 1078937589 /nfs/dbraw/zinc/93/75/89/1078937589.db2.gz IMFJPFXEUBALNB-TZIWHRDSSA-N 2 1 398.551 3.545 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC001470773823 1072729776 /nfs/dbraw/zinc/72/97/76/1072729776.db2.gz YXZRNUYJQKSZTR-SFHVURJKSA-N 2 1 384.568 3.646 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC(C)(C)c1ccc2ccccc2c1 ZINC001470773823 1072729779 /nfs/dbraw/zinc/72/97/79/1072729779.db2.gz YXZRNUYJQKSZTR-SFHVURJKSA-N 2 1 384.568 3.646 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001478891490 1079016402 /nfs/dbraw/zinc/01/64/02/1079016402.db2.gz MWSVVHLFMBXZIK-KZKAQZJJSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001478891490 1079016409 /nfs/dbraw/zinc/01/64/09/1079016409.db2.gz MWSVVHLFMBXZIK-KZKAQZJJSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001478891490 1079016418 /nfs/dbraw/zinc/01/64/18/1079016418.db2.gz MWSVVHLFMBXZIK-KZKAQZJJSA-N 2 1 398.595 3.870 20 0 GHADMP CC[NH+](CC)CC[C@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001471614712 1073159249 /nfs/dbraw/zinc/15/92/49/1073159249.db2.gz TULGIFPPBXESNK-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001479001104 1079058863 /nfs/dbraw/zinc/05/88/63/1079058863.db2.gz LNCUUEWWEMTARB-HXUWFJFHSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001479001104 1079058867 /nfs/dbraw/zinc/05/88/67/1079058867.db2.gz LNCUUEWWEMTARB-HXUWFJFHSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001479001104 1079058873 /nfs/dbraw/zinc/05/88/73/1079058873.db2.gz LNCUUEWWEMTARB-HXUWFJFHSA-N 2 1 378.605 3.547 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCCCC1 ZINC001479221586 1079159636 /nfs/dbraw/zinc/15/96/36/1079159636.db2.gz JJIWGQJYMBTKCG-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCCCC1 ZINC001479221586 1079159640 /nfs/dbraw/zinc/15/96/40/1079159640.db2.gz JJIWGQJYMBTKCG-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCCCC1 ZINC001479221586 1079159644 /nfs/dbraw/zinc/15/96/44/1079159644.db2.gz JJIWGQJYMBTKCG-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC001473111496 1073785931 /nfs/dbraw/zinc/78/59/31/1073785931.db2.gz HHODWNTYLKIZCG-PKTZIBPZSA-N 2 1 379.548 3.503 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCC[C@H]1C ZINC001473382926 1073943214 /nfs/dbraw/zinc/94/32/14/1073943214.db2.gz DQNMZKKTYPMAEM-OFNKIYASSA-N 2 1 385.596 3.976 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719501 1074106322 /nfs/dbraw/zinc/10/63/22/1074106322.db2.gz XJJTYYQJGNVABA-SGKWCMOWSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719501 1074106328 /nfs/dbraw/zinc/10/63/28/1074106328.db2.gz XJJTYYQJGNVABA-SGKWCMOWSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719501 1074106333 /nfs/dbraw/zinc/10/63/33/1074106333.db2.gz XJJTYYQJGNVABA-SGKWCMOWSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719501 1074106337 /nfs/dbraw/zinc/10/63/37/1074106337.db2.gz XJJTYYQJGNVABA-SGKWCMOWSA-N 2 1 384.564 3.810 20 0 GHADMP CC(C)C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)CC1CC[NH+](C)CC1 ZINC001473738956 1074117409 /nfs/dbraw/zinc/11/74/09/1074117409.db2.gz DGJKFHHYBKINDW-UHFFFAOYSA-N 2 1 390.553 3.641 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001473886710 1074191355 /nfs/dbraw/zinc/19/13/55/1074191355.db2.gz HMTSUVIDKYCIQY-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001473886710 1074191357 /nfs/dbraw/zinc/19/13/57/1074191357.db2.gz HMTSUVIDKYCIQY-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001473886710 1074191359 /nfs/dbraw/zinc/19/13/59/1074191359.db2.gz HMTSUVIDKYCIQY-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-n4cncn4)c(F)c3)cc2)C1 ZINC001473931529 1074208741 /nfs/dbraw/zinc/20/87/41/1074208741.db2.gz LHPFNBOKURACMQ-GOSISDBHSA-N 2 1 393.510 3.928 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC001473958032 1074217860 /nfs/dbraw/zinc/21/78/60/1074217860.db2.gz ZWEZBIPGKQJMPE-GOSISDBHSA-N 2 1 393.019 3.692 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001474355461 1074360657 /nfs/dbraw/zinc/36/06/57/1074360657.db2.gz JYXWADMYLYDCAT-ISKFKSNPSA-N 2 1 395.595 3.929 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001474355461 1074360666 /nfs/dbraw/zinc/36/06/66/1074360666.db2.gz JYXWADMYLYDCAT-ISKFKSNPSA-N 2 1 395.595 3.929 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001474355461 1074360673 /nfs/dbraw/zinc/36/06/73/1074360673.db2.gz JYXWADMYLYDCAT-ISKFKSNPSA-N 2 1 395.595 3.929 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001474363500 1074364047 /nfs/dbraw/zinc/36/40/47/1074364047.db2.gz MCWLJDTWBIFPSC-CTXDPNEZSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506058 1074437789 /nfs/dbraw/zinc/43/77/89/1074437789.db2.gz ZUZANMZAFVSJHX-IRLDBZIGSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506058 1074437795 /nfs/dbraw/zinc/43/77/95/1074437795.db2.gz ZUZANMZAFVSJHX-IRLDBZIGSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506058 1074437799 /nfs/dbraw/zinc/43/77/99/1074437799.db2.gz ZUZANMZAFVSJHX-IRLDBZIGSA-N 2 1 399.579 3.896 20 0 GHADMP CCOc1ccc(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001474515680 1074443559 /nfs/dbraw/zinc/44/35/59/1074443559.db2.gz YFKRVKITBPVTQJ-XMMPIXPASA-N 2 1 393.575 3.786 20 0 GHADMP CCOc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001474515680 1074443563 /nfs/dbraw/zinc/44/35/63/1074443563.db2.gz YFKRVKITBPVTQJ-XMMPIXPASA-N 2 1 393.575 3.786 20 0 GHADMP CCOc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001474515680 1074443569 /nfs/dbraw/zinc/44/35/69/1074443569.db2.gz YFKRVKITBPVTQJ-XMMPIXPASA-N 2 1 393.575 3.786 20 0 GHADMP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001546208492 1075069261 /nfs/dbraw/zinc/06/92/61/1075069261.db2.gz PQGZXONOGLYSBJ-NQIIRXRSSA-N 2 1 390.531 3.931 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccnc1-c1ccccc1 ZINC001476306810 1075121207 /nfs/dbraw/zinc/12/12/07/1075121207.db2.gz DBSIVNIRAQKCJU-FQEVSTJZSA-N 2 1 395.551 3.628 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419660 599380120 /nfs/dbraw/zinc/38/01/20/599380120.db2.gz JAQFLNZRGWCDCD-UCLAIMLFSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419660 599380123 /nfs/dbraw/zinc/38/01/23/599380123.db2.gz JAQFLNZRGWCDCD-UCLAIMLFSA-N 2 1 382.537 3.662 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2ncnc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164663182 719345001 /nfs/dbraw/zinc/34/50/01/719345001.db2.gz VSPZXASFFGYNNG-NRFANRHFSA-N 2 1 394.567 3.653 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079446 837403862 /nfs/dbraw/zinc/40/38/62/837403862.db2.gz CFQORBBIPQEWRK-GHTZIAJQSA-N 2 1 395.547 3.552 20 0 GHADMP C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431780213 837474951 /nfs/dbraw/zinc/47/49/51/837474951.db2.gz XIXZAXCHBFKDSD-TZIWHRDSSA-N 2 1 392.632 3.650 20 0 GHADMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655711752 837705598 /nfs/dbraw/zinc/70/55/98/837705598.db2.gz LLUQTNBWXARDJL-DEOSSOPVSA-N 3 1 385.596 3.796 20 0 GHADMP c1ccc(C[NH+]2CCCCCC2)c(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655711752 837705603 /nfs/dbraw/zinc/70/56/03/837705603.db2.gz LLUQTNBWXARDJL-DEOSSOPVSA-N 2 1 385.596 3.796 20 0 GHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655733010 837770911 /nfs/dbraw/zinc/77/09/11/837770911.db2.gz HROADAGIRUKYDK-YOEHRIQHSA-N 2 1 399.348 3.752 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3Br)C2)C1 ZINC000650706366 834536364 /nfs/dbraw/zinc/53/63/64/834536364.db2.gz JLJFSCALJREMST-VMGRFDJRSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000090659944 834618612 /nfs/dbraw/zinc/61/86/12/834618612.db2.gz VIAHQUPOVJDPNI-RXVVDRJESA-N 2 1 376.504 3.922 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000090659944 834618618 /nfs/dbraw/zinc/61/86/18/834618618.db2.gz VIAHQUPOVJDPNI-RXVVDRJESA-N 2 1 376.504 3.922 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3sc(C)nc3C)CC2)c1C ZINC000091709347 834650698 /nfs/dbraw/zinc/65/06/98/834650698.db2.gz JRZGBHDUFQQUMS-UHFFFAOYSA-N 2 1 388.581 3.877 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3sc(C)nc3C)CC2)c1C ZINC000091709347 834650702 /nfs/dbraw/zinc/65/07/02/834650702.db2.gz JRZGBHDUFQQUMS-UHFFFAOYSA-N 2 1 388.581 3.877 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000583597801 834720341 /nfs/dbraw/zinc/72/03/41/834720341.db2.gz GGZOLUACFYFRBZ-QFBILLFUSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000142201496 834789002 /nfs/dbraw/zinc/78/90/02/834789002.db2.gz OKOTWPJMRSVTJR-ROUUACIJSA-N 2 1 392.613 3.522 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654994455 834933045 /nfs/dbraw/zinc/93/30/45/834933045.db2.gz LXFMZJVQIZKLGY-QHCPKHFHSA-N 2 1 385.596 3.869 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2c[nH]cn2)cc1)C[C@@H]1CCCCO1 ZINC000503504681 834950462 /nfs/dbraw/zinc/95/04/62/834950462.db2.gz JMNYQZHLYPMTQW-NRFANRHFSA-N 2 1 384.524 3.761 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000503504681 834950470 /nfs/dbraw/zinc/95/04/70/834950470.db2.gz JMNYQZHLYPMTQW-NRFANRHFSA-N 2 1 384.524 3.761 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)CCc2cnc[nH]2)cc1)C[C@@H]1CCCCO1 ZINC000503504681 834950480 /nfs/dbraw/zinc/95/04/80/834950480.db2.gz JMNYQZHLYPMTQW-NRFANRHFSA-N 2 1 384.524 3.761 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511286080 834994840 /nfs/dbraw/zinc/99/48/40/834994840.db2.gz LCEHQYDZHMVXIE-QHCGNWPDSA-N 2 1 390.616 3.545 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000685458447 835023551 /nfs/dbraw/zinc/02/35/51/835023551.db2.gz PZTWWBNBCGXULK-UHFFFAOYSA-N 2 1 378.973 3.533 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000093159552 835075499 /nfs/dbraw/zinc/07/54/99/835075499.db2.gz NINYMRFHOWBHQG-UHFFFAOYSA-N 2 1 375.586 3.834 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000093159552 835075509 /nfs/dbraw/zinc/07/55/09/835075509.db2.gz NINYMRFHOWBHQG-UHFFFAOYSA-N 2 1 375.586 3.834 20 0 GHADMP C[C@]1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000430212262 835153943 /nfs/dbraw/zinc/15/39/43/835153943.db2.gz LPVOZOLWKXBWAJ-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000685606104 835218238 /nfs/dbraw/zinc/21/82/38/835218238.db2.gz NJHFEXIDLBTHOP-RTWAWAEBSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000685606104 835218242 /nfs/dbraw/zinc/21/82/42/835218242.db2.gz NJHFEXIDLBTHOP-RTWAWAEBSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685606104 835218244 /nfs/dbraw/zinc/21/82/44/835218244.db2.gz NJHFEXIDLBTHOP-RTWAWAEBSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685606104 835218247 /nfs/dbraw/zinc/21/82/47/835218247.db2.gz NJHFEXIDLBTHOP-RTWAWAEBSA-N 2 1 390.531 3.586 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)[C@@H]2CCCO2)cc1 ZINC000685662118 835278488 /nfs/dbraw/zinc/27/84/88/835278488.db2.gz FPWPKZYRBMAGMY-JLSDUUJJSA-N 2 1 376.298 3.539 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)c4ccc(F)cc43)CC2)CC1 ZINC000655162452 835324539 /nfs/dbraw/zinc/32/45/39/835324539.db2.gz KCFZUAJBZDBJHC-UHFFFAOYSA-N 2 1 387.543 3.646 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472351728 835328771 /nfs/dbraw/zinc/32/87/71/835328771.db2.gz XPNIRULXBCGVMY-URXFXBBRSA-N 3 1 389.547 3.748 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472351728 835328776 /nfs/dbraw/zinc/32/87/76/835328776.db2.gz XPNIRULXBCGVMY-URXFXBBRSA-N 2 1 389.547 3.748 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472351728 835328782 /nfs/dbraw/zinc/32/87/82/835328782.db2.gz XPNIRULXBCGVMY-URXFXBBRSA-N 2 1 389.547 3.748 20 0 GHADMP COc1cc2ccc([C@@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cc2cc1OC ZINC000658003935 835369033 /nfs/dbraw/zinc/36/90/33/835369033.db2.gz WAIPCERZQBCMMB-QGZVFWFLSA-N 2 1 385.552 3.534 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccnc2N2CCCC2)C3)cc1 ZINC000658103072 835434227 /nfs/dbraw/zinc/43/42/27/835434227.db2.gz GUOWCWNEMVBGMM-WBDAEOGXSA-N 2 1 376.548 3.967 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccnc2N2CCCC2)C3)cc1 ZINC000658103072 835434230 /nfs/dbraw/zinc/43/42/30/835434230.db2.gz GUOWCWNEMVBGMM-WBDAEOGXSA-N 2 1 376.548 3.967 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCS2 ZINC000658142583 835454087 /nfs/dbraw/zinc/45/40/87/835454087.db2.gz YOYWOPNNEPNSAY-UGKGYDQZSA-N 2 1 398.572 3.979 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cc2)C1 ZINC000658140070 835464935 /nfs/dbraw/zinc/46/49/35/835464935.db2.gz SINRYVDYPMGRLG-ISKFKSNPSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cc2)C1 ZINC000658140070 835464943 /nfs/dbraw/zinc/46/49/43/835464943.db2.gz SINRYVDYPMGRLG-ISKFKSNPSA-N 2 1 391.490 3.667 20 0 GHADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000584037461 835483808 /nfs/dbraw/zinc/48/38/08/835483808.db2.gz QQZHGKKCLNFSAX-GOSISDBHSA-N 2 1 384.568 3.626 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1F ZINC000147095374 835519351 /nfs/dbraw/zinc/51/93/51/835519351.db2.gz BSZJWTVWIRTHOJ-UHFFFAOYSA-N 2 1 381.455 3.703 20 0 GHADMP C[N@@H+](Cc1cc(Cl)ccc1I)C1CCC([NH3+])CC1 ZINC000405517550 835541893 /nfs/dbraw/zinc/54/18/93/835541893.db2.gz HVMIFPJPBQCJCY-UHFFFAOYSA-N 2 1 378.685 3.646 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000584219656 835779110 /nfs/dbraw/zinc/77/91/10/835779110.db2.gz SLVLZMPXTBOEJW-KDURUIRLSA-N 2 1 381.524 3.518 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000274897761 835787306 /nfs/dbraw/zinc/78/73/06/835787306.db2.gz KQDGDKKMEYSGHU-DENIHFKCSA-N 3 1 393.579 3.562 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000274897761 835787319 /nfs/dbraw/zinc/78/73/19/835787319.db2.gz KQDGDKKMEYSGHU-DENIHFKCSA-N 3 1 393.579 3.562 20 0 GHADMP C[N@@H+](CCC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C1CCCCC1 ZINC000547732599 835838533 /nfs/dbraw/zinc/83/85/33/835838533.db2.gz HDSORRQFVJCFMK-NRFANRHFSA-N 2 1 399.579 3.745 20 0 GHADMP C[C@H](c1nnnn1-c1ccccc1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246043956 835946779 /nfs/dbraw/zinc/94/67/79/835946779.db2.gz PFFQZUORTOEWJI-RBUKOAKNSA-N 2 1 382.556 3.700 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000151860584 835948932 /nfs/dbraw/zinc/94/89/32/835948932.db2.gz PXUYDIABEPDULB-JOCHJYFZSA-N 2 1 395.547 3.581 20 0 GHADMP C[C@H](c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1)[NH+]1CCOCC1 ZINC000547758097 836097716 /nfs/dbraw/zinc/09/77/16/836097716.db2.gz FHERWUNXWFWOEP-LJQANCHMSA-N 2 1 393.531 3.928 20 0 GHADMP COc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180452565 836171361 /nfs/dbraw/zinc/17/13/61/836171361.db2.gz SOOAPMAUPSKHAT-DEOSSOPVSA-N 2 1 381.564 3.648 20 0 GHADMP COc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc2)cc1 ZINC000180452583 836172413 /nfs/dbraw/zinc/17/24/13/836172413.db2.gz SOOAPMAUPSKHAT-XMMPIXPASA-N 2 1 381.564 3.648 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+](C(C)C)CC3)c2)cc1 ZINC000017313701 836223201 /nfs/dbraw/zinc/22/32/01/836223201.db2.gz WHYMLUYAKPZOII-UHFFFAOYSA-N 2 1 381.520 3.910 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000613491453 836540916 /nfs/dbraw/zinc/54/09/16/836540916.db2.gz SJDGMURQMSRMKV-ISKFKSNPSA-N 2 1 388.596 3.885 20 0 GHADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109790162 836694790 /nfs/dbraw/zinc/69/47/90/836694790.db2.gz WPUJNVXCRVETME-LJQANCHMSA-N 2 1 379.548 3.777 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000247080457 836752128 /nfs/dbraw/zinc/75/21/28/836752128.db2.gz NIEYJGXDFPGSQW-IRLDBZIGSA-N 2 1 383.511 3.764 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000067222845 844207456 /nfs/dbraw/zinc/20/74/56/844207456.db2.gz FMQGYDJUNPYHFR-LJQANCHMSA-N 2 1 375.520 3.756 20 0 GHADMP COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC001167233383 836978215 /nfs/dbraw/zinc/97/82/15/836978215.db2.gz KABFOALGMIRZDR-QHCPKHFHSA-N 2 1 380.532 3.735 20 0 GHADMP COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167233383 836978223 /nfs/dbraw/zinc/97/82/23/836978223.db2.gz KABFOALGMIRZDR-QHCPKHFHSA-N 2 1 380.532 3.735 20 0 GHADMP COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001167233383 836978231 /nfs/dbraw/zinc/97/82/31/836978231.db2.gz KABFOALGMIRZDR-QHCPKHFHSA-N 2 1 380.532 3.735 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275420989 837012874 /nfs/dbraw/zinc/01/28/74/837012874.db2.gz DRXBZCBDMBROKB-IWZNJAMVSA-N 2 1 382.552 3.510 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275420989 837012886 /nfs/dbraw/zinc/01/28/86/837012886.db2.gz DRXBZCBDMBROKB-IWZNJAMVSA-N 2 1 382.552 3.510 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000467176582 837086984 /nfs/dbraw/zinc/08/69/84/837086984.db2.gz PXLJKIKVWOMEQT-UHFFFAOYSA-N 2 1 396.579 3.684 20 0 GHADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2c(c1)C[NH2+]C2 ZINC000659021451 837272872 /nfs/dbraw/zinc/27/28/72/837272872.db2.gz DSMLRVFACGQIBQ-NRFANRHFSA-N 2 1 390.531 3.714 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc(OC)c1O ZINC000647532588 837340058 /nfs/dbraw/zinc/34/00/58/837340058.db2.gz LOMCCLYUDILJPW-VQTJNVASSA-N 2 1 384.520 3.582 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000659863078 837878313 /nfs/dbraw/zinc/87/83/13/837878313.db2.gz GDZSOFYNOPOVRM-RTWAWAEBSA-N 2 1 377.617 3.715 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1)C(C)C ZINC000110147132 844272993 /nfs/dbraw/zinc/27/29/93/844272993.db2.gz RTGKXWOBXGCPPH-QHCPKHFHSA-N 2 1 381.564 3.820 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431852566 838026947 /nfs/dbraw/zinc/02/69/47/838026947.db2.gz ANRLACYSLOLHDN-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431852566 838026956 /nfs/dbraw/zinc/02/69/56/838026956.db2.gz ANRLACYSLOLHDN-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431852566 838026959 /nfs/dbraw/zinc/02/69/59/838026959.db2.gz ANRLACYSLOLHDN-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000549381080 838212348 /nfs/dbraw/zinc/21/23/48/838212348.db2.gz NFXXHYSFFZBXRZ-FQEVSTJZSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000415880233 838226110 /nfs/dbraw/zinc/22/61/10/838226110.db2.gz FFGKCFDGVRABSQ-FDDCHVKYSA-N 2 1 392.547 3.849 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1C[NH2+]C ZINC000415908302 838253034 /nfs/dbraw/zinc/25/30/34/838253034.db2.gz CTXCHCGOLLEVFY-FQEVSTJZSA-N 2 1 380.536 3.782 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415920301 838278404 /nfs/dbraw/zinc/27/84/04/838278404.db2.gz OPMRXKQYAUYOFJ-NQIIRXRSSA-N 2 1 380.536 3.828 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415941238 838293349 /nfs/dbraw/zinc/29/33/49/838293349.db2.gz FUNDKXOKSLIUTO-OAQYLSRUSA-N 2 1 380.536 3.924 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415962127 838320415 /nfs/dbraw/zinc/32/04/15/838320415.db2.gz WMOMBOILJUFIIY-NQIIRXRSSA-N 2 1 380.536 3.971 20 0 GHADMP O=C(CC[N@@H+]1CCC[C@H]1c1ccccc1Cl)N1CCN(c2ccccn2)CC1 ZINC000053278823 838633390 /nfs/dbraw/zinc/63/33/90/838633390.db2.gz RXOUXDNLFQDALE-FQEVSTJZSA-N 2 1 398.938 3.611 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000610371620 838746148 /nfs/dbraw/zinc/74/61/48/838746148.db2.gz VFYCQGURHCWPAU-JOCHJYFZSA-N 2 1 387.612 3.853 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000416233114 838771384 /nfs/dbraw/zinc/77/13/84/838771384.db2.gz HUIJMAZRASWOAX-TZRRMPRUSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000580071253 838797497 /nfs/dbraw/zinc/79/74/97/838797497.db2.gz MZBDCOPUHJMUDE-XBYSBRQOSA-N 2 1 383.580 3.525 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000376991338 838902103 /nfs/dbraw/zinc/90/21/03/838902103.db2.gz JUAFWVAILNHGCL-CTWPCTMYSA-N 2 1 397.485 3.601 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000580118544 838903222 /nfs/dbraw/zinc/90/32/22/838903222.db2.gz GSMDQWVGVYFFMA-WOJBJXKFSA-N 2 1 375.582 3.534 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000312141159 838918173 /nfs/dbraw/zinc/91/81/73/838918173.db2.gz FKJASUFWCUNMCW-UAFMIMERSA-N 2 1 379.589 3.875 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C2CC2)c1 ZINC000580174758 839010605 /nfs/dbraw/zinc/01/06/05/839010605.db2.gz LFXLJLBLRRGHPP-SFHVURJKSA-N 2 1 377.532 3.802 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc4c(s3)CCC4(C)C)CC2)CC1 ZINC000580211505 839058550 /nfs/dbraw/zinc/05/85/50/839058550.db2.gz YWRPPIBSVYIWPP-UHFFFAOYSA-N 2 1 390.597 3.502 20 0 GHADMP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644777 839059066 /nfs/dbraw/zinc/05/90/66/839059066.db2.gz KPTCOBUTOUAUQX-OAQYLSRUSA-N 2 1 385.596 3.630 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000415100671 839205229 /nfs/dbraw/zinc/20/52/29/839205229.db2.gz BCKBZQSIUKJZTA-IRXDYDNUSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H](c1ccc(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000415189897 839361944 /nfs/dbraw/zinc/36/19/44/839361944.db2.gz WSFWIGJNCXBMRZ-GCJKJVERSA-N 2 1 396.535 3.682 20 0 GHADMP C[C@@H]1CCC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000431886111 839403019 /nfs/dbraw/zinc/40/30/19/839403019.db2.gz XFULTZDSXHKNEK-XQBPLPMBSA-N 2 1 392.632 3.649 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764601 839492469 /nfs/dbraw/zinc/49/24/69/839492469.db2.gz OVAVRLNSGDUNQR-LJQANCHMSA-N 2 1 378.948 3.754 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000549247359 839556853 /nfs/dbraw/zinc/55/68/53/839556853.db2.gz VRRVROUXGRNXPH-LJQANCHMSA-N 2 1 395.576 3.947 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000549247359 839556865 /nfs/dbraw/zinc/55/68/65/839556865.db2.gz VRRVROUXGRNXPH-LJQANCHMSA-N 2 1 395.576 3.947 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000125738007 839649323 /nfs/dbraw/zinc/64/93/23/839649323.db2.gz BYYSQZMOLQYDNW-JKSUJKDBSA-N 2 1 396.373 3.876 20 0 GHADMP CN(C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)C(C)(C)C[NH+]1CCCCCC1 ZINC000613675355 839755846 /nfs/dbraw/zinc/75/58/46/839755846.db2.gz IGGXKBFFHKPSFO-UHFFFAOYSA-N 2 1 396.579 3.882 20 0 GHADMP CN(C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)C(C)(C)C[NH+]1CCCCCC1 ZINC000613675355 839755855 /nfs/dbraw/zinc/75/58/55/839755855.db2.gz IGGXKBFFHKPSFO-UHFFFAOYSA-N 2 1 396.579 3.882 20 0 GHADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000415467294 839812063 /nfs/dbraw/zinc/81/20/63/839812063.db2.gz URHNQESFXNPMSH-DLBZAZTESA-N 2 1 394.519 3.515 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000535807633 844505752 /nfs/dbraw/zinc/50/57/52/844505752.db2.gz WTOBUCMFUXOMPZ-HQAQVQPGSA-N 2 1 391.575 3.992 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000535807633 844505760 /nfs/dbraw/zinc/50/57/60/844505760.db2.gz WTOBUCMFUXOMPZ-HQAQVQPGSA-N 2 1 391.575 3.992 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1)CC(C)C ZINC000418469022 840280199 /nfs/dbraw/zinc/28/01/99/840280199.db2.gz AWYUCVZVXWJMRU-LJQANCHMSA-N 2 1 388.600 3.996 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418495554 840321290 /nfs/dbraw/zinc/32/12/90/840321290.db2.gz BIMLPVCMKKLSCF-HSZRJFAPSA-N 2 1 396.579 3.993 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000418499518 840333983 /nfs/dbraw/zinc/33/39/83/840333983.db2.gz YDXOBHKIKOATQO-RTBURBONSA-N 2 1 380.536 3.512 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](NC[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693455 840338217 /nfs/dbraw/zinc/33/82/17/840338217.db2.gz QRCHMLGHVBUQGE-DQEYMECFSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](NC[C@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693455 840338229 /nfs/dbraw/zinc/33/82/29/840338229.db2.gz QRCHMLGHVBUQGE-DQEYMECFSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693455 840338242 /nfs/dbraw/zinc/33/82/42/840338242.db2.gz QRCHMLGHVBUQGE-DQEYMECFSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693455 840338255 /nfs/dbraw/zinc/33/82/55/840338255.db2.gz QRCHMLGHVBUQGE-DQEYMECFSA-N 2 1 393.575 3.532 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310009992 840374438 /nfs/dbraw/zinc/37/44/38/840374438.db2.gz JXXKLBOTFBCEDV-QFIPXVFZSA-N 2 1 375.557 3.792 20 0 GHADMP Cc1ccccc1C1CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000127513736 840422726 /nfs/dbraw/zinc/42/27/26/840422726.db2.gz QQRWUPXYFCXUTE-UVKLAMSESA-N 2 1 391.559 3.728 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC(c4ccccc4F)C3)c2)C1 ZINC000127514570 840422830 /nfs/dbraw/zinc/42/28/30/840422830.db2.gz SWGFZCXSTNZZFK-QNGMFEMESA-N 2 1 395.522 3.559 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000123361918 840537606 /nfs/dbraw/zinc/53/76/06/840537606.db2.gz XMGUSHSPLAAGEX-LAUBAEHRSA-N 2 1 381.524 3.512 20 0 GHADMP Brc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)sc1Br ZINC000299935678 840829394 /nfs/dbraw/zinc/82/93/94/840829394.db2.gz HRXIGRGRWPBVMG-UWVGGRQHSA-N 2 1 394.176 3.990 20 0 GHADMP Brc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)sc1Br ZINC000299935678 840829403 /nfs/dbraw/zinc/82/94/03/840829403.db2.gz HRXIGRGRWPBVMG-UWVGGRQHSA-N 2 1 394.176 3.990 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]21 ZINC000584784178 840854573 /nfs/dbraw/zinc/85/45/73/840854573.db2.gz MYCUTDMYJKACBD-FVQBIDKESA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]21 ZINC000584784178 840854585 /nfs/dbraw/zinc/85/45/85/840854585.db2.gz MYCUTDMYJKACBD-FVQBIDKESA-N 2 1 376.298 3.663 20 0 GHADMP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430551198 841040741 /nfs/dbraw/zinc/04/07/41/841040741.db2.gz LGWMQSMBYCIDCU-HSZRJFAPSA-N 2 1 395.547 3.813 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C2 ZINC000660656329 841069545 /nfs/dbraw/zinc/06/95/45/841069545.db2.gz LIGOIDXLNDMNHM-DHIUTWEWSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C2 ZINC000660656329 841069555 /nfs/dbraw/zinc/06/95/55/841069555.db2.gz LIGOIDXLNDMNHM-DHIUTWEWSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C2 ZINC000660656329 841069566 /nfs/dbraw/zinc/06/95/66/841069566.db2.gz LIGOIDXLNDMNHM-DHIUTWEWSA-N 2 1 397.588 3.762 20 0 GHADMP COc1cccc2c1OC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000245678329 844613364 /nfs/dbraw/zinc/61/33/64/844613364.db2.gz IHUSDZAPGUBJDG-MYGLTJDJSA-N 2 1 378.516 3.784 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)s1 ZINC000893326011 841278399 /nfs/dbraw/zinc/27/83/99/841278399.db2.gz AJEHNQITUCMALB-UHFFFAOYSA-N 2 1 387.549 3.842 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581488623 841535874 /nfs/dbraw/zinc/53/58/74/841535874.db2.gz QSFCKIPEGJTUBD-HSZRJFAPSA-N 3 1 393.575 3.914 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581488623 841535882 /nfs/dbraw/zinc/53/58/82/841535882.db2.gz QSFCKIPEGJTUBD-HSZRJFAPSA-N 3 1 393.575 3.914 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662746692 841536816 /nfs/dbraw/zinc/53/68/16/841536816.db2.gz NIAATCPIVDMKBW-UHFFFAOYSA-N 2 1 394.338 3.736 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccc(Cl)cc1 ZINC000418188321 841623636 /nfs/dbraw/zinc/62/36/36/841623636.db2.gz UCLZUZSURPCCHE-FQEVSTJZSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2CC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000662797003 841648910 /nfs/dbraw/zinc/64/89/10/841648910.db2.gz FNWQOSKQAGHDHL-FGZHOGPDSA-N 2 1 399.485 3.564 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc3c2CC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000662797003 841648915 /nfs/dbraw/zinc/64/89/15/841648915.db2.gz FNWQOSKQAGHDHL-FGZHOGPDSA-N 2 1 399.485 3.564 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000581558425 841664002 /nfs/dbraw/zinc/66/40/02/841664002.db2.gz PQMZZCNDKONOML-QHCPKHFHSA-N 2 1 397.607 3.977 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806801 841794024 /nfs/dbraw/zinc/79/40/24/841794024.db2.gz FKJIPNKYLOBWBN-IBGZPJMESA-N 2 1 387.568 3.919 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613800425 841852847 /nfs/dbraw/zinc/85/28/47/841852847.db2.gz YUJIEBQIWUCXIK-JOCHJYFZSA-N 2 1 379.548 3.684 20 0 GHADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc(OC(F)F)cc2)cc1F ZINC000656791050 841926186 /nfs/dbraw/zinc/92/61/86/841926186.db2.gz QYTAOOLVHNGBGA-WMZOPIPTSA-N 2 1 380.410 3.671 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788693 841928142 /nfs/dbraw/zinc/92/81/42/841928142.db2.gz BGDCMGWIPMPBGY-UHFFFAOYSA-N 2 1 377.330 3.613 20 0 GHADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000430634095 841934328 /nfs/dbraw/zinc/93/43/28/841934328.db2.gz QVLVCQRXKFHKTC-UPVQGACJSA-N 2 1 377.532 3.510 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000684374505 841972151 /nfs/dbraw/zinc/97/21/51/841972151.db2.gz QTRFKUDDJDYAFS-IBGZPJMESA-N 2 1 381.545 3.602 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001167824530 842028450 /nfs/dbraw/zinc/02/84/50/842028450.db2.gz PENKQQMWOFFERR-AKIFATBCSA-N 2 1 389.584 3.732 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001167825695 842048594 /nfs/dbraw/zinc/04/85/94/842048594.db2.gz KWHWBEBQXVZCIN-KCZVDYSFSA-N 2 1 375.557 3.594 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000652189136 842066883 /nfs/dbraw/zinc/06/68/83/842066883.db2.gz DLVOEJOTSOTTTJ-QFIPXVFZSA-N 2 1 394.563 3.506 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH2+]C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000652288038 842149453 /nfs/dbraw/zinc/14/94/53/842149453.db2.gz RCELZMUMUSUETF-XXBNENTESA-N 2 1 394.563 3.773 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)sc1Br ZINC000512029473 842199615 /nfs/dbraw/zinc/19/96/15/842199615.db2.gz CLLRDUYCKAKXQQ-KGLIPLIRSA-N 2 1 375.376 3.707 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001167835847 842315407 /nfs/dbraw/zinc/31/54/07/842315407.db2.gz UPNQWSBFSRWNRM-LJQANCHMSA-N 3 1 389.584 3.538 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cs2)c1 ZINC000652348387 842331944 /nfs/dbraw/zinc/33/19/44/842331944.db2.gz BRQCNYADMQZOIO-QKLQHJQFSA-N 2 1 387.549 3.537 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001167838440 842332347 /nfs/dbraw/zinc/33/23/47/842332347.db2.gz UOJNZJADUMMMDZ-KSEOMHKRSA-N 2 1 387.568 3.982 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623655649 861300685 /nfs/dbraw/zinc/30/06/85/861300685.db2.gz BCGUIOQKEUBTAY-INIZCTEOSA-N 2 1 399.373 3.686 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655649 861300702 /nfs/dbraw/zinc/30/07/02/861300702.db2.gz BCGUIOQKEUBTAY-INIZCTEOSA-N 2 1 399.373 3.686 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413106 842413847 /nfs/dbraw/zinc/41/38/47/842413847.db2.gz KGBURROUGMXPJM-BEFAXECRSA-N 2 1 381.358 3.917 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000432414592 842421313 /nfs/dbraw/zinc/42/13/13/842421313.db2.gz SMWWEGIOUHYGMJ-QZTJIDSGSA-N 2 1 399.501 3.663 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000432414592 842421316 /nfs/dbraw/zinc/42/13/16/842421316.db2.gz SMWWEGIOUHYGMJ-QZTJIDSGSA-N 2 1 399.501 3.663 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c1 ZINC000432414592 842421323 /nfs/dbraw/zinc/42/13/23/842421323.db2.gz SMWWEGIOUHYGMJ-QZTJIDSGSA-N 2 1 399.501 3.663 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000432414294 842423415 /nfs/dbraw/zinc/42/34/15/842423415.db2.gz KKRKNXLBLRONGM-WOJBJXKFSA-N 2 1 384.568 3.949 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000432414294 842423424 /nfs/dbraw/zinc/42/34/24/842423424.db2.gz KKRKNXLBLRONGM-WOJBJXKFSA-N 2 1 384.568 3.949 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192459 842488281 /nfs/dbraw/zinc/48/82/81/842488281.db2.gz HWSKHIBMASELOU-YADHBBJMSA-N 2 1 381.564 3.564 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192459 842488286 /nfs/dbraw/zinc/48/82/86/842488286.db2.gz HWSKHIBMASELOU-YADHBBJMSA-N 2 1 381.564 3.564 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246826641 842647797 /nfs/dbraw/zinc/64/77/97/842647797.db2.gz BKCTVKKASHSEDS-CABCVRRESA-N 2 1 387.446 3.624 20 0 GHADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000473216336 842661653 /nfs/dbraw/zinc/66/16/53/842661653.db2.gz WLNWCJFWCPRWKG-IBGZPJMESA-N 2 1 395.469 3.619 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)[C@@H](C)C1 ZINC000248523087 842687687 /nfs/dbraw/zinc/68/76/87/842687687.db2.gz SJDQKRXZAJIHCX-MPGHIAIKSA-N 2 1 399.373 3.942 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512169524 842719907 /nfs/dbraw/zinc/71/99/07/842719907.db2.gz OVJQFQJHFNUTGR-TZIWHRDSSA-N 2 1 388.552 3.571 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512169524 842719916 /nfs/dbraw/zinc/71/99/16/842719916.db2.gz OVJQFQJHFNUTGR-TZIWHRDSSA-N 2 1 388.552 3.571 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430764341 842952081 /nfs/dbraw/zinc/95/20/81/842952081.db2.gz CHUQRZXSMDOUIL-FUHWJXTLSA-N 2 1 397.485 3.724 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294100 843085087 /nfs/dbraw/zinc/08/50/87/843085087.db2.gz AWNVXCUWRRYYSD-FRQCXROJSA-N 2 1 377.960 3.617 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663768646 843130853 /nfs/dbraw/zinc/13/08/53/843130853.db2.gz NQYCIJPVMRBYRG-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C)C1 ZINC000663768646 843130867 /nfs/dbraw/zinc/13/08/67/843130867.db2.gz NQYCIJPVMRBYRG-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C)C1 ZINC000663768646 843130875 /nfs/dbraw/zinc/13/08/75/843130875.db2.gz NQYCIJPVMRBYRG-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP C[NH2+][C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662348100 843155111 /nfs/dbraw/zinc/15/51/11/843155111.db2.gz NQWAQAZTFJEPKG-CZUORRHYSA-N 2 1 386.348 3.735 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000662328042 843156244 /nfs/dbraw/zinc/15/62/44/843156244.db2.gz XXAXUKLEUHHZNO-UHFFFAOYSA-N 2 1 375.520 3.805 20 0 GHADMP CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471876837 843168332 /nfs/dbraw/zinc/16/83/32/843168332.db2.gz ZHBJSAJDQLQZPL-PKTZIBPZSA-N 2 1 379.548 3.561 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000662419227 843209973 /nfs/dbraw/zinc/20/99/73/843209973.db2.gz GAELNVLHRQUADT-OFNKIYASSA-N 2 1 391.559 3.707 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000178695468 861398050 /nfs/dbraw/zinc/39/80/50/861398050.db2.gz APRXSEOZIZRUBO-HOTGVXAUSA-N 2 1 376.932 3.508 20 0 GHADMP O=C(c1cccc2c1C[NH2+]C2)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000662477534 843312766 /nfs/dbraw/zinc/31/27/66/843312766.db2.gz NEJCRDLOEOEIIS-UHFFFAOYSA-N 2 1 389.543 3.951 20 0 GHADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432654859 843365474 /nfs/dbraw/zinc/36/54/74/843365474.db2.gz JGIMSRICLPMKAF-IEBWSBKVSA-N 2 1 377.598 3.585 20 0 GHADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432654859 843365487 /nfs/dbraw/zinc/36/54/87/843365487.db2.gz JGIMSRICLPMKAF-IEBWSBKVSA-N 2 1 377.598 3.585 20 0 GHADMP C[C@@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000662582647 843420723 /nfs/dbraw/zinc/42/07/23/843420723.db2.gz QWFJHGNGGGYRGO-IXDOHACOSA-N 2 1 383.561 3.517 20 0 GHADMP C[C@@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000662582647 843420731 /nfs/dbraw/zinc/42/07/31/843420731.db2.gz QWFJHGNGGGYRGO-IXDOHACOSA-N 2 1 383.561 3.517 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000418648275 843502436 /nfs/dbraw/zinc/50/24/36/843502436.db2.gz HNESRLMNLKBQEE-CNNODRBYSA-N 2 1 386.584 3.545 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000418648278 843502526 /nfs/dbraw/zinc/50/25/26/843502526.db2.gz HNESRLMNLKBQEE-WOIUINJBSA-N 2 1 386.584 3.545 20 0 GHADMP CN(C)c1cc[nH+]cc1C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617865598 843546721 /nfs/dbraw/zinc/54/67/21/843546721.db2.gz KARMQDOFYVQKOB-UHFFFAOYSA-N 2 1 381.505 3.604 20 0 GHADMP CN(C)c1cc[nH+]cc1C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000617865598 843546727 /nfs/dbraw/zinc/54/67/27/843546727.db2.gz KARMQDOFYVQKOB-UHFFFAOYSA-N 2 1 381.505 3.604 20 0 GHADMP CCCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418770409 843618343 /nfs/dbraw/zinc/61/83/43/843618343.db2.gz OICNXBPCVNCBBK-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3ccc(F)cc3F)CC2)CC1 ZINC000899647625 861440772 /nfs/dbraw/zinc/44/07/72/861440772.db2.gz WCZXODUFNYOMBI-UHFFFAOYSA-N 2 1 393.522 3.512 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000512393096 843626776 /nfs/dbraw/zinc/62/67/76/843626776.db2.gz NUWKUQMDODMKHC-IZBOUPIGSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512393096 843626781 /nfs/dbraw/zinc/62/67/81/843626781.db2.gz NUWKUQMDODMKHC-IZBOUPIGSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512393096 843626791 /nfs/dbraw/zinc/62/67/91/843626791.db2.gz NUWKUQMDODMKHC-IZBOUPIGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000500568733 843652158 /nfs/dbraw/zinc/65/21/58/843652158.db2.gz KUVHYSAEZWBHFB-DWQJTFDBSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001167821127 843697535 /nfs/dbraw/zinc/69/75/35/843697535.db2.gz BPDFJASGFGYABM-QNWVGRARSA-N 2 1 389.584 3.842 20 0 GHADMP Cc1ccc(CCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512457352 843858721 /nfs/dbraw/zinc/85/87/21/843858721.db2.gz RVWDSJVHIUVIAC-VWLOTQADSA-N 2 1 377.576 3.820 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477939 843958124 /nfs/dbraw/zinc/95/81/24/843958124.db2.gz AQPAFYZHVJIMCT-JYFHCDHNSA-N 2 1 389.587 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000432819070 843958846 /nfs/dbraw/zinc/95/88/46/843958846.db2.gz NLDGELHZVPDJRZ-VIZSFHNOSA-N 2 1 383.580 3.729 20 0 GHADMP [NH3+]CCCCCCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000237972186 843992288 /nfs/dbraw/zinc/99/22/88/843992288.db2.gz FAOYJSZWPXTSRX-UHFFFAOYSA-N 2 1 385.474 3.649 20 0 GHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1Br ZINC000401810834 844710886 /nfs/dbraw/zinc/71/08/86/844710886.db2.gz UAVIIPHFUKGZRQ-SNVBAGLBSA-N 2 1 387.119 3.838 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549866436 844732901 /nfs/dbraw/zinc/73/29/01/844732901.db2.gz VZUMCLXJYXISRG-QHCPKHFHSA-N 2 1 383.580 3.836 20 0 GHADMP O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512647357 844890605 /nfs/dbraw/zinc/89/06/05/844890605.db2.gz HPFWUNBWXXKUKP-XPWALMASSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCCC1 ZINC000512666131 844959435 /nfs/dbraw/zinc/95/94/35/844959435.db2.gz IZNJOYWLMDZGKV-YTFSRNRJSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)NCc1ccccc1 ZINC000512668287 844972575 /nfs/dbraw/zinc/97/25/75/844972575.db2.gz UISQLGWLMRJEOA-TZRRMPRUSA-N 2 1 391.559 3.583 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000512687304 845054363 /nfs/dbraw/zinc/05/43/63/845054363.db2.gz PRMLOROGPNUCKM-NHCUHLMSSA-N 2 1 378.564 3.739 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C(c1ccccc1)c1ccccc1 ZINC000576635567 845092382 /nfs/dbraw/zinc/09/23/82/845092382.db2.gz KLOTWFXWDKLGQI-UHFFFAOYSA-N 2 1 379.548 3.698 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181641378 845255578 /nfs/dbraw/zinc/25/55/78/845255578.db2.gz CAIWGCMRTWAYDH-KPLVRAHFSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000181641378 845255584 /nfs/dbraw/zinc/25/55/84/845255584.db2.gz CAIWGCMRTWAYDH-KPLVRAHFSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000181641378 845255593 /nfs/dbraw/zinc/25/55/93/845255593.db2.gz CAIWGCMRTWAYDH-KPLVRAHFSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181641378 845255596 /nfs/dbraw/zinc/25/55/96/845255596.db2.gz CAIWGCMRTWAYDH-KPLVRAHFSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181641378 845255604 /nfs/dbraw/zinc/25/56/04/845255604.db2.gz CAIWGCMRTWAYDH-KPLVRAHFSA-N 2 1 387.543 3.559 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(F)cc1F ZINC000179390380 861561170 /nfs/dbraw/zinc/56/11/70/861561170.db2.gz ZOXSPJMLEBJNAY-UHFFFAOYSA-N 2 1 388.462 3.537 20 0 GHADMP C[C@@H]1C[C@H](N(C)[C@@H]2CCC3(C[C@H]2F)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000892006852 845395466 /nfs/dbraw/zinc/39/54/66/845395466.db2.gz CPTWQXIZWOYRLA-CWJKEVGVSA-N 2 1 376.516 3.605 20 0 GHADMP C[C@@H]1C[C@H](N(C)[C@@H]2CCC3(C[C@H]2F)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000892006852 845395477 /nfs/dbraw/zinc/39/54/77/845395477.db2.gz CPTWQXIZWOYRLA-CWJKEVGVSA-N 2 1 376.516 3.605 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513494292 845527379 /nfs/dbraw/zinc/52/73/79/845527379.db2.gz HGOJJAZWIPHTFI-QUCCMNQESA-N 2 1 375.520 3.862 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373264 845657005 /nfs/dbraw/zinc/65/70/05/845657005.db2.gz OPFCBRHPDFQBPP-XLIONFOSSA-N 2 1 389.337 3.594 20 0 GHADMP CCC[C@@]1(C)CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001167508048 845781340 /nfs/dbraw/zinc/78/13/40/845781340.db2.gz CYGMDGQEZGVLMP-DEOSSOPVSA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@@]1(C)CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001167508048 845781349 /nfs/dbraw/zinc/78/13/49/845781349.db2.gz CYGMDGQEZGVLMP-DEOSSOPVSA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@@]1(C)CCC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001167508048 845781361 /nfs/dbraw/zinc/78/13/61/845781361.db2.gz CYGMDGQEZGVLMP-DEOSSOPVSA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@@]1(C)CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC001167508814 845819313 /nfs/dbraw/zinc/81/93/13/845819313.db2.gz JFUYFSZTQYQQIQ-DEOSSOPVSA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@@]1(C)CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC001167508814 845819315 /nfs/dbraw/zinc/81/93/15/845819315.db2.gz JFUYFSZTQYQQIQ-DEOSSOPVSA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@@]1(C)CCC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC001167508814 845819320 /nfs/dbraw/zinc/81/93/20/845819320.db2.gz JFUYFSZTQYQQIQ-DEOSSOPVSA-N 2 1 385.596 3.932 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1Br ZINC000179510387 861610255 /nfs/dbraw/zinc/61/02/55/861610255.db2.gz MWUPICRIPHGEIB-CQSZACIVSA-N 2 1 378.314 3.635 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000511045726 845898623 /nfs/dbraw/zinc/89/86/23/845898623.db2.gz FDWZJJTUPPZIGC-KDURUIRLSA-N 2 1 389.584 3.535 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000511045726 845898629 /nfs/dbraw/zinc/89/86/29/845898629.db2.gz FDWZJJTUPPZIGC-KDURUIRLSA-N 2 1 389.584 3.535 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000511045726 845898634 /nfs/dbraw/zinc/89/86/34/845898634.db2.gz FDWZJJTUPPZIGC-KDURUIRLSA-N 2 1 389.584 3.535 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000511045726 845898641 /nfs/dbraw/zinc/89/86/41/845898641.db2.gz FDWZJJTUPPZIGC-KDURUIRLSA-N 2 1 389.584 3.535 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657311528 846035299 /nfs/dbraw/zinc/03/52/99/846035299.db2.gz MQWPQWNEGOFUQA-OAHLLOKOSA-N 2 1 380.458 3.961 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657311528 846035307 /nfs/dbraw/zinc/03/53/07/846035307.db2.gz MQWPQWNEGOFUQA-OAHLLOKOSA-N 2 1 380.458 3.961 20 0 GHADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167529343 846076417 /nfs/dbraw/zinc/07/64/17/846076417.db2.gz JEXMWKCQDQWAKY-OFNKIYASSA-N 2 1 385.596 3.773 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4c(cccc4C)[nH]3)cc2)CC1 ZINC000657313582 846090271 /nfs/dbraw/zinc/09/02/71/846090271.db2.gz UHYMCDZMWWZTPN-UHFFFAOYSA-N 2 1 376.548 3.904 20 0 GHADMP OCCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513655049 846197254 /nfs/dbraw/zinc/19/72/54/846197254.db2.gz KRZVFTXDCYGPSA-QLBJFCOMSA-N 2 1 394.559 3.838 20 0 GHADMP F[C@H]1CC2(CC[C@@H]1[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)OCCO2 ZINC000892184956 846329688 /nfs/dbraw/zinc/32/96/88/846329688.db2.gz BPRRHJDKKNFXNX-SFTDATJTSA-N 2 1 388.527 3.608 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@@H](C)O1 ZINC000072085643 846390477 /nfs/dbraw/zinc/39/04/77/846390477.db2.gz GHWODLHNOKCIKO-HZPDHXFCSA-N 2 1 381.358 3.770 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000673768067 861681936 /nfs/dbraw/zinc/68/19/36/861681936.db2.gz VXRNIWSILNLNQM-SFHVURJKSA-N 2 1 386.584 3.602 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000657356153 846492716 /nfs/dbraw/zinc/49/27/16/846492716.db2.gz BQJKRULVQKIWJZ-ALOPSCKCSA-N 2 1 378.442 3.724 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000657356153 846492722 /nfs/dbraw/zinc/49/27/22/846492722.db2.gz BQJKRULVQKIWJZ-ALOPSCKCSA-N 2 1 378.442 3.724 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000502849167 846542962 /nfs/dbraw/zinc/54/29/62/846542962.db2.gz WSQVKBHNHFEKTL-NJYVYQBISA-N 2 1 380.621 3.556 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000502849167 846542972 /nfs/dbraw/zinc/54/29/72/846542972.db2.gz WSQVKBHNHFEKTL-NJYVYQBISA-N 2 1 380.621 3.556 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000502849167 846542978 /nfs/dbraw/zinc/54/29/78/846542978.db2.gz WSQVKBHNHFEKTL-NJYVYQBISA-N 2 1 380.621 3.556 20 0 GHADMP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044607 846569623 /nfs/dbraw/zinc/56/96/23/846569623.db2.gz HCBCQFOKAUAZBU-IBGZPJMESA-N 2 1 384.568 3.625 20 0 GHADMP CCn1c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc2cc(F)ccc21 ZINC000501039754 846586126 /nfs/dbraw/zinc/58/61/26/846586126.db2.gz NFBZYDNTWGDOMC-UHFFFAOYSA-N 2 1 381.499 3.939 20 0 GHADMP CC[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000502999641 846700251 /nfs/dbraw/zinc/70/02/51/846700251.db2.gz WLOOXVJZPRPIFL-FYYLOGMGSA-N 2 1 379.548 3.667 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414428487 846831286 /nfs/dbraw/zinc/83/12/86/846831286.db2.gz BHNQPRHJVIBANE-HXUWFJFHSA-N 2 1 378.495 3.932 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414428487 846831292 /nfs/dbraw/zinc/83/12/92/846831292.db2.gz BHNQPRHJVIBANE-HXUWFJFHSA-N 2 1 378.495 3.932 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604079743 861723373 /nfs/dbraw/zinc/72/33/73/861723373.db2.gz AWYIOXHPDGIRHB-QFIPXVFZSA-N 2 1 386.584 3.606 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c(C)c1OC ZINC000513713188 846886434 /nfs/dbraw/zinc/88/64/34/846886434.db2.gz LUUSWPHEIBIIQF-GOSISDBHSA-N 2 1 390.568 3.568 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)c(C(F)(F)F)c2)n1 ZINC000481562968 861730119 /nfs/dbraw/zinc/73/01/19/861730119.db2.gz NGYASXZHMALDEB-BFUOFWGJSA-N 2 1 380.458 3.938 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000501490697 846952667 /nfs/dbraw/zinc/95/26/67/846952667.db2.gz KEYPBOGQZFTENR-MOPGFXCFSA-N 2 1 394.629 3.722 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)[C@H](C)C1 ZINC000481576083 861737713 /nfs/dbraw/zinc/73/77/13/861737713.db2.gz RIUBSUDYSUAYBG-GDBMZVCRSA-N 2 1 389.403 3.780 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000501519109 846980176 /nfs/dbraw/zinc/98/01/76/846980176.db2.gz JEAPYYIHAPHGMN-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000420322850 847102520 /nfs/dbraw/zinc/10/25/20/847102520.db2.gz SNOKJRWAHHEOHL-QGZVFWFLSA-N 2 1 388.458 3.611 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000420322864 847102776 /nfs/dbraw/zinc/10/27/76/847102776.db2.gz SOFXMRUTTSEKJD-HXUWFJFHSA-N 2 1 378.520 3.692 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562524 847111111 /nfs/dbraw/zinc/11/11/11/847111111.db2.gz GYYJJWOTWNNJKM-GBXCKJPGSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272673729 847142288 /nfs/dbraw/zinc/14/22/88/847142288.db2.gz QGRJLAZEMAJZLN-GGAORHGYSA-N 2 1 385.596 3.522 20 0 GHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCN(c4nccs4)CC3)C2)c1 ZINC000272731491 847157992 /nfs/dbraw/zinc/15/79/92/847157992.db2.gz PJNNAXLQYZCJFL-INIZCTEOSA-N 2 1 376.595 3.675 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN(c4nccs4)CC3)C2)c1 ZINC000272731491 847157998 /nfs/dbraw/zinc/15/79/98/847157998.db2.gz PJNNAXLQYZCJFL-INIZCTEOSA-N 2 1 376.595 3.675 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272884592 847198734 /nfs/dbraw/zinc/19/87/34/847198734.db2.gz NYNUIBGZVLTZKN-RXVVDRJESA-N 2 1 386.561 3.623 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000272884592 847198739 /nfs/dbraw/zinc/19/87/39/847198739.db2.gz NYNUIBGZVLTZKN-RXVVDRJESA-N 2 1 386.561 3.623 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000501797496 847198777 /nfs/dbraw/zinc/19/87/77/847198777.db2.gz VJOBBZOGBQJNIL-UHFFFAOYSA-N 2 1 397.563 3.849 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000272905243 847204276 /nfs/dbraw/zinc/20/42/76/847204276.db2.gz QIWAFSHOTNHKMP-YLJYHZDGSA-N 2 1 393.597 3.687 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000272905243 847204290 /nfs/dbraw/zinc/20/42/90/847204290.db2.gz QIWAFSHOTNHKMP-YLJYHZDGSA-N 2 1 393.597 3.687 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000272933317 847211101 /nfs/dbraw/zinc/21/11/01/847211101.db2.gz ZWSKQTYZEOEOGS-XMSQKQJNSA-N 2 1 379.504 3.643 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)sc2C1 ZINC000273065340 847242567 /nfs/dbraw/zinc/24/25/67/847242567.db2.gz UHJKNMJWLXWJOC-UHFFFAOYSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)sc2C1 ZINC000273065340 847242576 /nfs/dbraw/zinc/24/25/76/847242576.db2.gz UHJKNMJWLXWJOC-UHFFFAOYSA-N 2 1 398.576 3.760 20 0 GHADMP CS(=O)(=O)c1ccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000414463071 847347062 /nfs/dbraw/zinc/34/70/62/847347062.db2.gz ZVWOBZUCSIYHSA-SFHVURJKSA-N 2 1 392.590 3.544 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c(Br)c1C ZINC000731660771 861789226 /nfs/dbraw/zinc/78/92/26/861789226.db2.gz UFZGIRBMYQPTQJ-UHFFFAOYSA-N 2 1 379.346 3.804 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c(Br)c1C ZINC000731660771 861789247 /nfs/dbraw/zinc/78/92/47/861789247.db2.gz UFZGIRBMYQPTQJ-UHFFFAOYSA-N 2 1 379.346 3.804 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000237152562 847477159 /nfs/dbraw/zinc/47/71/59/847477159.db2.gz SVVDVAIMRALAGV-HSZRJFAPSA-N 2 1 379.548 3.637 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000420891703 847535124 /nfs/dbraw/zinc/53/51/24/847535124.db2.gz BRNNYFJULQAPSR-IWAAJCSBSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000582577932 847681639 /nfs/dbraw/zinc/68/16/39/847681639.db2.gz FQPOHQIISDPRFQ-UHFFFAOYSA-N 2 1 386.367 3.604 20 0 GHADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422716405 847793077 /nfs/dbraw/zinc/79/30/77/847793077.db2.gz UNKOZVGFRACKIZ-FDFHNCONSA-N 2 1 397.519 3.519 20 0 GHADMP c1ccc([C@H](CN2CCCC2)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800265 847828976 /nfs/dbraw/zinc/82/89/76/847828976.db2.gz AZXXTNTYQZCFQE-WPFOTENUSA-N 2 1 377.532 3.669 20 0 GHADMP CCOC(=O)C1([C@@H](C)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]CC1 ZINC000422921387 847903192 /nfs/dbraw/zinc/90/31/92/847903192.db2.gz OAZPZFRKYHNNIA-RTBURBONSA-N 2 1 387.568 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1 ZINC001167945158 847904802 /nfs/dbraw/zinc/90/48/02/847904802.db2.gz UUPXLOJDDWPFLN-MJGOQNOKSA-N 2 1 390.572 3.707 20 0 GHADMP COc1ccc([C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423080376 847969045 /nfs/dbraw/zinc/96/90/45/847969045.db2.gz AFBFPGWISWGHLH-DNQXCXABSA-N 2 1 379.548 3.995 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)cc2)C1 ZINC000582734297 848202003 /nfs/dbraw/zinc/20/20/03/848202003.db2.gz JVWRNFQPEBBVMB-LJQANCHMSA-N 2 1 395.547 3.764 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCCC2(CC[NH+](CC(C)(C)C[NH+](C)C)CC2)C1 ZINC001279591751 848216518 /nfs/dbraw/zinc/21/65/18/848216518.db2.gz QDZSVYMCBIQBKP-UHFFFAOYSA-N 3 1 378.630 3.717 20 0 GHADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](CC(C)(C)CN(C)C)CC2)C1 ZINC001279591751 848216527 /nfs/dbraw/zinc/21/65/27/848216527.db2.gz QDZSVYMCBIQBKP-UHFFFAOYSA-N 2 1 378.630 3.717 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCCC2(CC[NH+](CC(C)(C)CN(C)C)CC2)C1 ZINC001279591751 848216536 /nfs/dbraw/zinc/21/65/36/848216536.db2.gz QDZSVYMCBIQBKP-UHFFFAOYSA-N 2 1 378.630 3.717 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000277852251 848223119 /nfs/dbraw/zinc/22/31/19/848223119.db2.gz AGDOWDRPGZTFMT-IBGZPJMESA-N 2 1 388.556 3.597 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000277852251 848223124 /nfs/dbraw/zinc/22/31/24/848223124.db2.gz AGDOWDRPGZTFMT-IBGZPJMESA-N 2 1 388.556 3.597 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(-c4cccs4)n3)cc2)C1 ZINC000657595340 848288389 /nfs/dbraw/zinc/28/83/89/848288389.db2.gz PGBDHCYUINNFDP-GOSISDBHSA-N 2 1 385.558 3.728 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(-c4cccs4)n3)cc2)C1 ZINC000657595340 848288397 /nfs/dbraw/zinc/28/83/97/848288397.db2.gz PGBDHCYUINNFDP-GOSISDBHSA-N 2 1 385.558 3.728 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)s1 ZINC000657596181 848289935 /nfs/dbraw/zinc/28/99/35/848289935.db2.gz MAUTVPLUYNMXCB-XJKSGUPXSA-N 2 1 395.366 3.928 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)cc4cccnc43)cc2)C1 ZINC000657595815 848292231 /nfs/dbraw/zinc/29/22/31/848292231.db2.gz KIJAYRHEDUCSRA-OAQYLSRUSA-N 2 1 381.907 3.745 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180015293 861905060 /nfs/dbraw/zinc/90/50/60/861905060.db2.gz UZHBCIAISGDZDN-HXUWFJFHSA-N 2 1 394.401 3.908 20 0 GHADMP COc1ccc([C@@H](C)C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000180065623 861931583 /nfs/dbraw/zinc/93/15/83/861931583.db2.gz WQLUIZLDNURZDB-NRFANRHFSA-N 2 1 381.564 3.548 20 0 GHADMP C[C@H](C[C@H](O)c1cccs1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121171632 848705464 /nfs/dbraw/zinc/70/54/64/848705464.db2.gz KFAGSDVTAVHILA-UZLBHIALSA-N 2 1 376.541 3.996 20 0 GHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)CC2)cc1 ZINC000431511288 848812952 /nfs/dbraw/zinc/81/29/52/848812952.db2.gz KMBTWKIFCFZXQB-HSZRJFAPSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)CC2)cc1 ZINC000431511288 848812957 /nfs/dbraw/zinc/81/29/57/848812957.db2.gz KMBTWKIFCFZXQB-HSZRJFAPSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000431511288 848812961 /nfs/dbraw/zinc/81/29/61/848812961.db2.gz KMBTWKIFCFZXQB-HSZRJFAPSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000431511288 848812964 /nfs/dbraw/zinc/81/29/64/848812964.db2.gz KMBTWKIFCFZXQB-HSZRJFAPSA-N 2 1 399.579 3.527 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cnn(Cc4ccccc4)c3)CC2)nc(C)[nH+]1 ZINC000162297635 848890858 /nfs/dbraw/zinc/89/08/58/848890858.db2.gz NROZPUYCYGVXLZ-SFHVURJKSA-N 2 1 390.535 3.658 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000458384385 849065345 /nfs/dbraw/zinc/06/53/45/849065345.db2.gz MDGPQDXFPDZIJT-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000583124140 849120253 /nfs/dbraw/zinc/12/02/53/849120253.db2.gz UZWQDNOLVRSWJW-GOTSBHOMSA-N 2 1 382.548 3.627 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000180165931 861990081 /nfs/dbraw/zinc/99/00/81/861990081.db2.gz WMAGAEMJCOGNPV-CTNGQTDRSA-N 2 1 377.488 3.670 20 0 GHADMP CC(C)c1ccc(CN(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C2CC2)cc1 ZINC000604210190 861994296 /nfs/dbraw/zinc/99/42/96/861994296.db2.gz YKHXEIBDQRXDQS-NRFANRHFSA-N 2 1 398.595 3.653 20 0 GHADMP CC(C)c1ccc(CN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000604210190 861994308 /nfs/dbraw/zinc/99/43/08/861994308.db2.gz YKHXEIBDQRXDQS-NRFANRHFSA-N 2 1 398.595 3.653 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171864 849243906 /nfs/dbraw/zinc/24/39/06/849243906.db2.gz INQHUUBHDBAUQR-FQEVSTJZSA-N 2 1 399.604 3.777 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583231572 849389348 /nfs/dbraw/zinc/38/93/48/849389348.db2.gz NOSWDUCTCABQHC-PVHVISOTSA-N 2 1 386.486 3.683 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583231572 849389360 /nfs/dbraw/zinc/38/93/60/849389360.db2.gz NOSWDUCTCABQHC-PVHVISOTSA-N 2 1 386.486 3.683 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000448050126 849575318 /nfs/dbraw/zinc/57/53/18/849575318.db2.gz SLGUTLBAFANPGQ-APWZRJJASA-N 2 1 397.485 3.561 20 0 GHADMP Fc1ccc(COc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)cc1 ZINC000657750303 849600204 /nfs/dbraw/zinc/60/02/04/849600204.db2.gz GNFYUIUAQHIEAA-QFIPXVFZSA-N 2 1 384.495 3.748 20 0 GHADMP Cc1cc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000583365152 849721288 /nfs/dbraw/zinc/72/12/88/849721288.db2.gz GWWBCWYZIPEKAG-UHFFFAOYSA-N 2 1 377.492 3.771 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423193168 849798939 /nfs/dbraw/zinc/79/89/39/849798939.db2.gz WTNGCJLJZOUUGQ-SFHVURJKSA-N 2 1 378.289 3.740 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H]([NH3+])c1ccccc1 ZINC000583439185 849907190 /nfs/dbraw/zinc/90/71/90/849907190.db2.gz BPZJJIAUYRYIDM-ACJLOTCBSA-N 2 1 390.325 3.785 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c2cc1Br ZINC000425251650 849925020 /nfs/dbraw/zinc/92/50/20/849925020.db2.gz YDRXXYSIYVAAFY-SJCJKPOMSA-N 2 1 376.298 3.536 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2cc1Br ZINC000425251650 849925027 /nfs/dbraw/zinc/92/50/27/849925027.db2.gz YDRXXYSIYVAAFY-SJCJKPOMSA-N 2 1 376.298 3.536 20 0 GHADMP Brc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423436990 849930407 /nfs/dbraw/zinc/93/04/07/849930407.db2.gz QEVJWKCSDYYNRN-CTASWTNQSA-N 2 1 390.350 3.757 20 0 GHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000423499506 849943708 /nfs/dbraw/zinc/94/37/08/849943708.db2.gz BBCUCVJSXMQBFE-IUDNXUCKSA-N 2 1 387.902 3.808 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@]4(CC[N@@H+](C)C4)C3)c2cc1Br ZINC000425270035 850036188 /nfs/dbraw/zinc/03/61/88/850036188.db2.gz SFFAVUFTEOPHAG-SFHVURJKSA-N 2 1 376.298 3.538 20 0 GHADMP CCN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027218 862089182 /nfs/dbraw/zinc/08/91/82/862089182.db2.gz GJGAFBQCBYTRKH-GOTSBHOMSA-N 2 1 394.563 3.595 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1O ZINC000426426730 850111491 /nfs/dbraw/zinc/11/14/91/850111491.db2.gz ZREFJJHUXXNDHZ-MOPGFXCFSA-N 2 1 398.547 3.732 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1O ZINC000426426730 850111500 /nfs/dbraw/zinc/11/15/00/850111500.db2.gz ZREFJJHUXXNDHZ-MOPGFXCFSA-N 2 1 398.547 3.732 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818280 850139827 /nfs/dbraw/zinc/13/98/27/850139827.db2.gz BGHGWXPKXQRLQJ-ZRCGQRJVSA-N 2 1 380.536 3.965 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818280 850139834 /nfs/dbraw/zinc/13/98/34/850139834.db2.gz BGHGWXPKXQRLQJ-ZRCGQRJVSA-N 2 1 380.536 3.965 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486818280 850139839 /nfs/dbraw/zinc/13/98/39/850139839.db2.gz BGHGWXPKXQRLQJ-ZRCGQRJVSA-N 2 1 380.536 3.965 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000664372841 850144162 /nfs/dbraw/zinc/14/41/62/850144162.db2.gz BBOQGZXDZDYRCZ-JOCHJYFZSA-N 2 1 380.536 3.529 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000514672138 850146624 /nfs/dbraw/zinc/14/66/24/850146624.db2.gz MVQWVKBJILXBRX-LOSJGSFVSA-N 2 1 399.538 3.886 20 0 GHADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000518849513 850219500 /nfs/dbraw/zinc/21/95/00/850219500.db2.gz KKHNTGNZMHANGU-XLIONFOSSA-N 2 1 397.950 3.998 20 0 GHADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000518849513 850219513 /nfs/dbraw/zinc/21/95/13/850219513.db2.gz KKHNTGNZMHANGU-XLIONFOSSA-N 2 1 397.950 3.998 20 0 GHADMP Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c2cccs2)cc1 ZINC000424283125 850353890 /nfs/dbraw/zinc/35/38/90/850353890.db2.gz ATBSEQCYPZVLRD-XMSQKQJNSA-N 2 1 397.588 3.726 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000555888963 862126444 /nfs/dbraw/zinc/12/64/44/862126444.db2.gz GMIRWXZNGABDKZ-QHCPKHFHSA-N 2 1 382.548 3.606 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000180448496 862144768 /nfs/dbraw/zinc/14/47/68/862144768.db2.gz DTNLUTQGWVKIHR-MRXNPFEDSA-N 2 1 378.476 3.869 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1c1cccs1 ZINC000439961135 850630565 /nfs/dbraw/zinc/63/05/65/850630565.db2.gz LQUFDKHWAZLRLR-POAQFYNOSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1c1cccs1 ZINC000439961135 850630571 /nfs/dbraw/zinc/63/05/71/850630571.db2.gz LQUFDKHWAZLRLR-POAQFYNOSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1c1cccs1 ZINC000439961135 850630576 /nfs/dbraw/zinc/63/05/76/850630576.db2.gz LQUFDKHWAZLRLR-POAQFYNOSA-N 2 1 375.582 3.654 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435682414 850747960 /nfs/dbraw/zinc/74/79/60/850747960.db2.gz NIAALZZFCYDQQQ-GHTZIAJQSA-N 2 1 397.588 3.912 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435682414 850747965 /nfs/dbraw/zinc/74/79/65/850747965.db2.gz NIAALZZFCYDQQQ-GHTZIAJQSA-N 2 1 397.588 3.912 20 0 GHADMP CCOc1ccccc1OCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688629 850767893 /nfs/dbraw/zinc/76/78/93/850767893.db2.gz RHEMTXKKQHPVPG-IBGZPJMESA-N 2 1 387.549 3.565 20 0 GHADMP CCOc1ccccc1OCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435688629 850767894 /nfs/dbraw/zinc/76/78/94/850767894.db2.gz RHEMTXKKQHPVPG-IBGZPJMESA-N 2 1 387.549 3.565 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3cc(Br)ccc3o2)CCO1 ZINC000668786537 850784087 /nfs/dbraw/zinc/78/40/87/850784087.db2.gz CKMPMUKNPCLEKO-MRXNPFEDSA-N 2 1 381.314 3.738 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3cc(Br)ccc3o2)CCO1 ZINC000668786537 850784097 /nfs/dbraw/zinc/78/40/97/850784097.db2.gz CKMPMUKNPCLEKO-MRXNPFEDSA-N 2 1 381.314 3.738 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425006453 850845941 /nfs/dbraw/zinc/84/59/41/850845941.db2.gz MHNAKMQQCRFJTE-BJKOFHAPSA-N 2 1 389.543 3.629 20 0 GHADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)N[C@H](c1cccs1)c1ccccc1 ZINC000515376090 850965411 /nfs/dbraw/zinc/96/54/11/850965411.db2.gz XVOORLSJLRNUFL-VIZSFHNOSA-N 2 1 397.588 3.950 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)N[C@H](c1cccs1)c1ccccc1 ZINC000515376090 850965415 /nfs/dbraw/zinc/96/54/15/850965415.db2.gz XVOORLSJLRNUFL-VIZSFHNOSA-N 2 1 397.588 3.950 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000515384510 850974569 /nfs/dbraw/zinc/97/45/69/850974569.db2.gz SWAZEAWCQWCBPM-SFHVURJKSA-N 2 1 397.519 3.636 20 0 GHADMP COC(=O)[C@@H](CC[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000425433678 851067758 /nfs/dbraw/zinc/06/77/58/851067758.db2.gz MKZUFFCXWPMYTA-PMACEKPBSA-N 2 1 381.520 3.664 20 0 GHADMP COC(=O)[C@@H](CC[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000425433678 851067761 /nfs/dbraw/zinc/06/77/61/851067761.db2.gz MKZUFFCXWPMYTA-PMACEKPBSA-N 2 1 381.520 3.664 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374134 851122467 /nfs/dbraw/zinc/12/24/67/851122467.db2.gz WPGXJQFROASVRT-JOCHJYFZSA-N 2 1 377.573 3.726 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)c2cccs2)CC1 ZINC000514072281 851192340 /nfs/dbraw/zinc/19/23/40/851192340.db2.gz BNNISUXDFLUVDH-FQEVSTJZSA-N 2 1 385.577 3.769 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)c2cccs2)CC1 ZINC000514072281 851192345 /nfs/dbraw/zinc/19/23/45/851192345.db2.gz BNNISUXDFLUVDH-FQEVSTJZSA-N 2 1 385.577 3.769 20 0 GHADMP CC[C@@]1(CO)CCC[N@@H+](Cc2ccccc2C[NH+]2CCC[C@](CC)(CO)C2)C1 ZINC000187569558 851196218 /nfs/dbraw/zinc/19/62/18/851196218.db2.gz BKJJRAYQFHVZKM-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000187569558 851196226 /nfs/dbraw/zinc/19/62/26/851196226.db2.gz BKJJRAYQFHVZKM-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2ccccc2C[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000187569558 851196235 /nfs/dbraw/zinc/19/62/35/851196235.db2.gz BKJJRAYQFHVZKM-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000488143796 851202169 /nfs/dbraw/zinc/20/21/69/851202169.db2.gz UPSQFCHOZBSWFZ-FQEVSTJZSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000514122259 851289598 /nfs/dbraw/zinc/28/95/98/851289598.db2.gz GMWKNISGRXVCAC-SLFFLAALSA-N 2 1 380.621 3.554 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000514122259 851289606 /nfs/dbraw/zinc/28/96/06/851289606.db2.gz GMWKNISGRXVCAC-SLFFLAALSA-N 2 1 380.621 3.554 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000514122259 851289615 /nfs/dbraw/zinc/28/96/15/851289615.db2.gz GMWKNISGRXVCAC-SLFFLAALSA-N 2 1 380.621 3.554 20 0 GHADMP CC[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000488322524 851408814 /nfs/dbraw/zinc/40/88/14/851408814.db2.gz JHSSPWLNBHABDY-HXUWFJFHSA-N 2 1 377.960 3.715 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1)N1CCCC1 ZINC000436295113 851430731 /nfs/dbraw/zinc/43/07/31/851430731.db2.gz RBBUTDWNGGWJCU-LYCSZFELSA-N 2 1 395.591 3.668 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1)N1CCCC1 ZINC000436295115 851430942 /nfs/dbraw/zinc/43/09/42/851430942.db2.gz RBBUTDWNGGWJCU-URYYLNOGSA-N 2 1 395.591 3.668 20 0 GHADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678709 851447425 /nfs/dbraw/zinc/44/74/25/851447425.db2.gz JXUQAPJHKJODRA-IBGZPJMESA-N 2 1 394.563 3.754 20 0 GHADMP C[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000514241931 851459816 /nfs/dbraw/zinc/45/98/16/851459816.db2.gz OKOTWPJMRSVTJR-ZWKOTPCHSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110909619 851477377 /nfs/dbraw/zinc/47/73/77/851477377.db2.gz AJVIQUNNXZIVIK-LRZVDXDASA-N 2 1 385.596 3.914 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000110911123 851478018 /nfs/dbraw/zinc/47/80/18/851478018.db2.gz BFGDCRUSVWRHCM-UHFFFAOYSA-N 2 1 383.580 3.837 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412716 851581527 /nfs/dbraw/zinc/58/15/27/851581527.db2.gz NFVLNJSZNPOJFS-IRXDYDNUSA-N 2 1 379.495 3.880 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412716 851581534 /nfs/dbraw/zinc/58/15/34/851581534.db2.gz NFVLNJSZNPOJFS-IRXDYDNUSA-N 2 1 379.495 3.880 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412716 851581540 /nfs/dbraw/zinc/58/15/40/851581540.db2.gz NFVLNJSZNPOJFS-IRXDYDNUSA-N 2 1 379.495 3.880 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000515877301 851596305 /nfs/dbraw/zinc/59/63/05/851596305.db2.gz DWUGFBRRUJQHBI-YADHBBJMSA-N 2 1 383.580 3.586 20 0 GHADMP COc1ccc(CC[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167974313 851664591 /nfs/dbraw/zinc/66/45/91/851664591.db2.gz VPIPCRBCAYTYCI-CWAQXLGLSA-N 2 1 397.607 3.697 20 0 GHADMP COc1ccc(CCN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167974313 851664598 /nfs/dbraw/zinc/66/45/98/851664598.db2.gz VPIPCRBCAYTYCI-CWAQXLGLSA-N 2 1 397.607 3.697 20 0 GHADMP COc1ccc(CCN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167974313 851664606 /nfs/dbraw/zinc/66/46/06/851664606.db2.gz VPIPCRBCAYTYCI-CWAQXLGLSA-N 2 1 397.607 3.697 20 0 GHADMP c1ccc(-c2nnc3ccc(C[NH2+]C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)cn32)cc1 ZINC001167975742 851829884 /nfs/dbraw/zinc/82/98/84/851829884.db2.gz VIOOLJOQBLECTH-FRIKZZABSA-N 2 1 387.531 3.891 20 0 GHADMP c1ccc(-c2nnc3ccc(C[NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)cn32)cc1 ZINC001167975742 851829888 /nfs/dbraw/zinc/82/98/88/851829888.db2.gz VIOOLJOQBLECTH-FRIKZZABSA-N 2 1 387.531 3.891 20 0 GHADMP C[C@]1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000488959934 851891050 /nfs/dbraw/zinc/89/10/50/851891050.db2.gz GQKAFWUXCVJHRN-XMMPIXPASA-N 2 1 398.595 3.747 20 0 GHADMP COc1c(Br)cccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212142176 851900961 /nfs/dbraw/zinc/90/09/61/851900961.db2.gz DUCNQKUOBBKVDT-AWEZNQCLSA-N 2 1 397.317 3.676 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111847477 851942508 /nfs/dbraw/zinc/94/25/08/851942508.db2.gz OKKGWXPZRCDKSX-NOTZXAQLSA-N 2 1 398.595 3.603 20 0 GHADMP COCCOc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000515929899 851954129 /nfs/dbraw/zinc/95/41/29/851954129.db2.gz NYZMHVJXYNIUJF-GGAORHGYSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000515929899 851954137 /nfs/dbraw/zinc/95/41/37/851954137.db2.gz NYZMHVJXYNIUJF-GGAORHGYSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000515929899 851954145 /nfs/dbraw/zinc/95/41/45/851954145.db2.gz NYZMHVJXYNIUJF-GGAORHGYSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000515929899 851954149 /nfs/dbraw/zinc/95/41/49/851954149.db2.gz NYZMHVJXYNIUJF-GGAORHGYSA-N 2 1 380.532 3.666 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000489079006 851985509 /nfs/dbraw/zinc/98/55/09/851985509.db2.gz SEKSGUCJLSKWBU-RTBURBONSA-N 2 1 386.584 3.632 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000473789787 851996035 /nfs/dbraw/zinc/99/60/35/851996035.db2.gz ZJHGKIWKMKERGB-SJBKTWHCSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000473789787 851996038 /nfs/dbraw/zinc/99/60/38/851996038.db2.gz ZJHGKIWKMKERGB-SJBKTWHCSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000473789787 851996046 /nfs/dbraw/zinc/99/60/46/851996046.db2.gz ZJHGKIWKMKERGB-SJBKTWHCSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC[C@@](C)(c4ccccc4)C3)cc2)CC1 ZINC000438087706 852009436 /nfs/dbraw/zinc/00/94/36/852009436.db2.gz MOEJTVXPECYSIC-ILBGXUMGSA-N 2 1 391.559 3.674 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000438141834 852076450 /nfs/dbraw/zinc/07/64/50/852076450.db2.gz LHTRSNYNHVQJPG-QFIPXVFZSA-N 2 1 390.616 3.880 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000489208630 852119632 /nfs/dbraw/zinc/11/96/32/852119632.db2.gz VQKAHVVDTQVYKL-AUSIDOKSSA-N 2 1 396.579 3.937 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000517639305 852196177 /nfs/dbraw/zinc/19/61/77/852196177.db2.gz JOSUUGCBXUUYQN-MBOZVWFJSA-N 2 1 379.976 3.817 20 0 GHADMP CCCn1ccc2ccc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCC[N@H+]3CC)cc21 ZINC000438286840 852225907 /nfs/dbraw/zinc/22/59/07/852225907.db2.gz XIBRWVSRRSBPRX-OAQYLSRUSA-N 2 1 399.583 3.931 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261124 852258107 /nfs/dbraw/zinc/25/81/07/852258107.db2.gz ALSRTUUCDFCGEM-PKTZIBPZSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261124 852258115 /nfs/dbraw/zinc/25/81/15/852258115.db2.gz ALSRTUUCDFCGEM-PKTZIBPZSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261124 852258124 /nfs/dbraw/zinc/25/81/24/852258124.db2.gz ALSRTUUCDFCGEM-PKTZIBPZSA-N 2 1 377.532 3.846 20 0 GHADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506937438 852365548 /nfs/dbraw/zinc/36/55/48/852365548.db2.gz AJDXBIAQCXPTRV-FXAWDEMLSA-N 2 1 375.582 3.684 20 0 GHADMP C[C@H](Nc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268740 852366366 /nfs/dbraw/zinc/36/63/66/852366366.db2.gz QZTNJPWUUCPVKE-XUZZJYLKSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H](Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516268740 852366376 /nfs/dbraw/zinc/36/63/76/852366376.db2.gz QZTNJPWUUCPVKE-XUZZJYLKSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H](Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268740 852366383 /nfs/dbraw/zinc/36/63/83/852366383.db2.gz QZTNJPWUUCPVKE-XUZZJYLKSA-N 2 1 392.591 3.757 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000489511095 852420395 /nfs/dbraw/zinc/42/03/95/852420395.db2.gz IEIZEDFMKYXHSU-FQEVSTJZSA-N 2 1 379.976 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C)([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167961371 852466994 /nfs/dbraw/zinc/46/69/94/852466994.db2.gz JGRLJGUVARSTNO-YQQQUEKLSA-N 2 1 377.573 3.771 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)c1 ZINC000489638412 852502353 /nfs/dbraw/zinc/50/23/53/852502353.db2.gz ZYPSSURQJLRHMY-XMMPIXPASA-N 2 1 396.575 3.887 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000517891202 852582744 /nfs/dbraw/zinc/58/27/44/852582744.db2.gz KQDDZOIUHUNGQK-QHCPKHFHSA-N 2 1 379.548 3.838 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000427089873 852716638 /nfs/dbraw/zinc/71/66/38/852716638.db2.gz RJHMZCPZODEKCO-FCHUYYIVSA-N 2 1 399.579 3.601 20 0 GHADMP C[C@H](c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1)[NH+]1CCOCC1 ZINC000518024927 852725651 /nfs/dbraw/zinc/72/56/51/852725651.db2.gz DCIWTCVBKJCAGY-LJQANCHMSA-N 2 1 393.531 3.928 20 0 GHADMP c1c(C[NH2+][C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2n1CCCC2 ZINC000516590574 852772301 /nfs/dbraw/zinc/77/23/01/852772301.db2.gz PSULJTNOMNARSM-WWNPGLIZSA-N 2 1 378.564 4.000 20 0 GHADMP c1c(C[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCCC2 ZINC000516590574 852772304 /nfs/dbraw/zinc/77/23/04/852772304.db2.gz PSULJTNOMNARSM-WWNPGLIZSA-N 2 1 378.564 4.000 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC[NH2+]1 ZINC000414944915 852780336 /nfs/dbraw/zinc/78/03/36/852780336.db2.gz HPTPWOMANWZQIY-RHSMWYFYSA-N 2 1 390.325 3.653 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598791 852781310 /nfs/dbraw/zinc/78/13/10/852781310.db2.gz HYVNMHDSEDRKEM-TZRRMPRUSA-N 2 1 397.607 3.541 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598791 852781316 /nfs/dbraw/zinc/78/13/16/852781316.db2.gz HYVNMHDSEDRKEM-TZRRMPRUSA-N 2 1 397.607 3.541 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3cccc(Cl)c3)CC2)CC1 ZINC000516660931 852831825 /nfs/dbraw/zinc/83/18/25/852831825.db2.gz HVGBBZDILSGZNZ-UHFFFAOYSA-N 2 1 391.987 3.888 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516649040 852838861 /nfs/dbraw/zinc/83/88/61/852838861.db2.gz VSJZEIDQNGUSFR-SNRMKQJTSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516649040 852838869 /nfs/dbraw/zinc/83/88/69/852838869.db2.gz VSJZEIDQNGUSFR-SNRMKQJTSA-N 2 1 393.934 3.509 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000507399213 852863429 /nfs/dbraw/zinc/86/34/29/852863429.db2.gz AYNPRVRPILSEDH-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccn(C(F)F)c2=O)C1 ZINC000638366723 852954268 /nfs/dbraw/zinc/95/42/68/852954268.db2.gz LACQNMAZHFIVLL-INIZCTEOSA-N 2 1 375.463 3.765 20 0 GHADMP C[C@@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490958126 853383724 /nfs/dbraw/zinc/38/37/24/853383724.db2.gz GRRUIKMHSQXELY-MJGOQNOKSA-N 2 1 382.017 3.780 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000491050439 853427048 /nfs/dbraw/zinc/42/70/48/853427048.db2.gz HSQIHCQGFQXLQO-UHFFFAOYSA-N 2 1 387.518 3.917 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCc1ccccc1Cl ZINC000491060060 853431400 /nfs/dbraw/zinc/43/14/00/853431400.db2.gz KCRVKJAEUSIXCI-LJQANCHMSA-N 2 1 391.987 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000426317668 853433657 /nfs/dbraw/zinc/43/36/57/853433657.db2.gz FRFJADRHQZURIL-UGTJMOTHSA-N 2 1 384.495 3.649 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000426317668 853433664 /nfs/dbraw/zinc/43/36/64/853433664.db2.gz FRFJADRHQZURIL-UGTJMOTHSA-N 2 1 384.495 3.649 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000518513097 853449076 /nfs/dbraw/zinc/44/90/76/853449076.db2.gz PYTJZESJPNLSIF-OAQYLSRUSA-N 2 1 379.548 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000518513097 853449087 /nfs/dbraw/zinc/44/90/87/853449087.db2.gz PYTJZESJPNLSIF-OAQYLSRUSA-N 2 1 379.548 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2ccccc2)CC1 ZINC000518513097 853449093 /nfs/dbraw/zinc/44/90/93/853449093.db2.gz PYTJZESJPNLSIF-OAQYLSRUSA-N 2 1 379.548 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2ccccc2)CC1 ZINC000518513097 853449098 /nfs/dbraw/zinc/44/90/98/853449098.db2.gz PYTJZESJPNLSIF-OAQYLSRUSA-N 2 1 379.548 3.722 20 0 GHADMP C[C@H](NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000518543605 853480719 /nfs/dbraw/zinc/48/07/19/853480719.db2.gz OGIOCOCIJDDOPU-LEEZEASISA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000518543605 853480726 /nfs/dbraw/zinc/48/07/26/853480726.db2.gz OGIOCOCIJDDOPU-LEEZEASISA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000518543605 853480737 /nfs/dbraw/zinc/48/07/37/853480737.db2.gz OGIOCOCIJDDOPU-LEEZEASISA-N 2 1 398.595 3.603 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000426331490 853489816 /nfs/dbraw/zinc/48/98/16/853489816.db2.gz OQGWJXKVJUSHFH-GOSISDBHSA-N 2 1 381.358 3.773 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604781533 862477055 /nfs/dbraw/zinc/47/70/55/862477055.db2.gz OQCXECIOVFUULL-NHCUHLMSSA-N 2 1 388.600 3.564 20 0 GHADMP CC[C@H](C)Oc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000437832304 853561537 /nfs/dbraw/zinc/56/15/37/853561537.db2.gz FSSAPJXALJOTMG-ICSRJNTNSA-N 2 1 390.572 3.744 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1Cl ZINC000518630144 853589527 /nfs/dbraw/zinc/58/95/27/853589527.db2.gz IQVHYNYCNIYWGZ-XLIONFOSSA-N 2 1 392.975 3.603 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377749 853680128 /nfs/dbraw/zinc/68/01/28/853680128.db2.gz HDWUQSOETKCWPW-UGKGYDQZSA-N 2 1 395.563 3.532 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000506598590 853713292 /nfs/dbraw/zinc/71/32/92/853713292.db2.gz UYXREFDOPRQVKH-DYXWJJEUSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000506598590 853713301 /nfs/dbraw/zinc/71/33/01/853713301.db2.gz UYXREFDOPRQVKH-DYXWJJEUSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000506598590 853713312 /nfs/dbraw/zinc/71/33/12/853713312.db2.gz UYXREFDOPRQVKH-DYXWJJEUSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000506598590 853713320 /nfs/dbraw/zinc/71/33/20/853713320.db2.gz UYXREFDOPRQVKH-DYXWJJEUSA-N 2 1 394.987 3.804 20 0 GHADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000441155961 853954841 /nfs/dbraw/zinc/95/48/41/853954841.db2.gz MGYVICJEQNSHTG-UHFFFAOYSA-N 2 1 381.520 3.620 20 0 GHADMP Clc1cccc(Cl)c1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000520213780 853966268 /nfs/dbraw/zinc/96/62/68/853966268.db2.gz UNQUZEACRPGUHG-UHFFFAOYSA-N 2 1 379.335 3.690 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340491 854109522 /nfs/dbraw/zinc/10/95/22/854109522.db2.gz ZLURWRQRNJCNJV-DHIUTWEWSA-N 2 1 382.548 3.900 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340491 854109524 /nfs/dbraw/zinc/10/95/24/854109524.db2.gz ZLURWRQRNJCNJV-DHIUTWEWSA-N 2 1 382.548 3.900 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340491 854109527 /nfs/dbraw/zinc/10/95/27/854109527.db2.gz ZLURWRQRNJCNJV-DHIUTWEWSA-N 2 1 382.548 3.900 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340491 854109529 /nfs/dbraw/zinc/10/95/29/854109529.db2.gz ZLURWRQRNJCNJV-DHIUTWEWSA-N 2 1 382.548 3.900 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000571805425 854161308 /nfs/dbraw/zinc/16/13/08/854161308.db2.gz BZNBGXGNDCVKGY-FQEVSTJZSA-N 2 1 396.531 3.872 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000571805425 854161311 /nfs/dbraw/zinc/16/13/11/854161311.db2.gz BZNBGXGNDCVKGY-FQEVSTJZSA-N 2 1 396.531 3.872 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1F ZINC000571819766 854169197 /nfs/dbraw/zinc/16/91/97/854169197.db2.gz JTOYDXDMFQBSQV-IBGZPJMESA-N 2 1 393.890 3.661 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441411414 854189657 /nfs/dbraw/zinc/18/96/57/854189657.db2.gz NFIWQWJGVQCTTG-BEFAXECRSA-N 2 1 384.442 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441411414 854189660 /nfs/dbraw/zinc/18/96/60/854189660.db2.gz NFIWQWJGVQCTTG-BEFAXECRSA-N 2 1 384.442 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441411414 854189664 /nfs/dbraw/zinc/18/96/64/854189664.db2.gz NFIWQWJGVQCTTG-BEFAXECRSA-N 2 1 384.442 3.913 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000441414331 854193897 /nfs/dbraw/zinc/19/38/97/854193897.db2.gz JSAYUQFNXJFGDO-DNVCBOLYSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000441414331 854193903 /nfs/dbraw/zinc/19/39/03/854193903.db2.gz JSAYUQFNXJFGDO-DNVCBOLYSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000441414331 854193906 /nfs/dbraw/zinc/19/39/06/854193906.db2.gz JSAYUQFNXJFGDO-DNVCBOLYSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000441414331 854193909 /nfs/dbraw/zinc/19/39/09/854193909.db2.gz JSAYUQFNXJFGDO-DNVCBOLYSA-N 2 1 391.943 3.626 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441406229 854203264 /nfs/dbraw/zinc/20/32/64/854203264.db2.gz XDJSFJMRIDRVSD-QTGUNEKASA-N 2 1 386.580 3.673 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441406229 854203271 /nfs/dbraw/zinc/20/32/71/854203271.db2.gz XDJSFJMRIDRVSD-QTGUNEKASA-N 2 1 386.580 3.673 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441406229 854203279 /nfs/dbraw/zinc/20/32/79/854203279.db2.gz XDJSFJMRIDRVSD-QTGUNEKASA-N 2 1 386.580 3.673 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458859753 854224988 /nfs/dbraw/zinc/22/49/88/854224988.db2.gz VHVPNGIWBGSJBA-SFTDATJTSA-N 2 1 378.605 3.549 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000588642126 854323411 /nfs/dbraw/zinc/32/34/11/854323411.db2.gz YRZQTTOGMTUPJQ-QUCCMNQESA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000588642126 854323415 /nfs/dbraw/zinc/32/34/15/854323415.db2.gz YRZQTTOGMTUPJQ-QUCCMNQESA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000588642126 854323419 /nfs/dbraw/zinc/32/34/19/854323419.db2.gz YRZQTTOGMTUPJQ-QUCCMNQESA-N 2 1 389.559 3.664 20 0 GHADMP COCCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1 ZINC000282495319 862558360 /nfs/dbraw/zinc/55/83/60/862558360.db2.gz XUQVDKLMCSQIPC-PKTZIBPZSA-N 2 1 386.511 3.650 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387808 854741544 /nfs/dbraw/zinc/74/15/44/854741544.db2.gz UYQCEAASQYEKME-UHFFFAOYSA-N 2 1 399.579 3.542 20 0 GHADMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441448036 854902832 /nfs/dbraw/zinc/90/28/32/854902832.db2.gz FXDWUJATTFMINZ-XUZZJYLKSA-N 2 1 394.559 3.901 20 0 GHADMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441448036 854902836 /nfs/dbraw/zinc/90/28/36/854902836.db2.gz FXDWUJATTFMINZ-XUZZJYLKSA-N 2 1 394.559 3.901 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)o2)cc1 ZINC000482017660 862634311 /nfs/dbraw/zinc/63/43/11/862634311.db2.gz OVGDVOCNXJPNLB-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)o2)cc1 ZINC000482017660 862634320 /nfs/dbraw/zinc/63/43/20/862634320.db2.gz OVGDVOCNXJPNLB-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)o2)cc1 ZINC000482017660 862634327 /nfs/dbraw/zinc/63/43/27/862634327.db2.gz OVGDVOCNXJPNLB-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)o2)cc1 ZINC000482017660 862634336 /nfs/dbraw/zinc/63/43/36/862634336.db2.gz OVGDVOCNXJPNLB-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000604997781 862682997 /nfs/dbraw/zinc/68/29/97/862682997.db2.gz IWTYOKDRGIISFC-NRFANRHFSA-N 2 1 375.532 3.682 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001513 855451147 /nfs/dbraw/zinc/45/11/47/855451147.db2.gz CLRDIRMYCPHOLF-HJKBJPMPSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001513 855451154 /nfs/dbraw/zinc/45/11/54/855451154.db2.gz CLRDIRMYCPHOLF-HJKBJPMPSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001513 855451159 /nfs/dbraw/zinc/45/11/59/855451159.db2.gz CLRDIRMYCPHOLF-HJKBJPMPSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000590786784 855585725 /nfs/dbraw/zinc/58/57/25/855585725.db2.gz QJUPCJOJEVYGSP-SFHVURJKSA-N 2 1 389.609 3.956 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000590786784 855585728 /nfs/dbraw/zinc/58/57/28/855585728.db2.gz QJUPCJOJEVYGSP-SFHVURJKSA-N 2 1 389.609 3.956 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000465715450 855667131 /nfs/dbraw/zinc/66/71/31/855667131.db2.gz JXNAIQXLSFMRCA-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000465715450 855667138 /nfs/dbraw/zinc/66/71/38/855667138.db2.gz JXNAIQXLSFMRCA-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000465715450 855667141 /nfs/dbraw/zinc/66/71/41/855667141.db2.gz JXNAIQXLSFMRCA-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000591162008 855803954 /nfs/dbraw/zinc/80/39/54/855803954.db2.gz MVAAOMXCHRFKKH-QHCPKHFHSA-N 2 1 391.559 3.924 20 0 GHADMP CC[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000669401872 855854702 /nfs/dbraw/zinc/85/47/02/855854702.db2.gz XYYXSSQTCVAMJU-PGRDOPGGSA-N 2 1 386.584 3.720 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591430748 855974910 /nfs/dbraw/zinc/97/49/10/855974910.db2.gz RTYUDWJVGNGTRM-WOJBJXKFSA-N 2 1 387.568 3.544 20 0 GHADMP CSCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000921712343 855981718 /nfs/dbraw/zinc/98/17/18/855981718.db2.gz QOCXYKKDGZQQIO-JOCHJYFZSA-N 2 1 397.588 3.537 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828977 855989172 /nfs/dbraw/zinc/98/91/72/855989172.db2.gz ARSMYYRUYCYLHZ-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828977 855989181 /nfs/dbraw/zinc/98/91/81/855989181.db2.gz ARSMYYRUYCYLHZ-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828977 855989185 /nfs/dbraw/zinc/98/91/85/855989185.db2.gz ARSMYYRUYCYLHZ-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc(C(F)(F)F)c1 ZINC000629552562 862753868 /nfs/dbraw/zinc/75/38/68/862753868.db2.gz MJXDOMBJMAANKU-MSOLQXFVSA-N 2 1 381.446 3.708 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](C)C ZINC000508898385 856080671 /nfs/dbraw/zinc/08/06/71/856080671.db2.gz LLOCTNNBHUFEIA-CSGUBPAMSA-N 2 1 398.595 3.645 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000391738102 856086131 /nfs/dbraw/zinc/08/61/31/856086131.db2.gz ABRWDPBMOGPZSY-OAHLLOKOSA-N 2 1 397.357 3.965 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000391738102 856086136 /nfs/dbraw/zinc/08/61/36/856086136.db2.gz ABRWDPBMOGPZSY-OAHLLOKOSA-N 2 1 397.357 3.965 20 0 GHADMP CN(CC[N@@H+](C)CCOC(c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000536452518 856090041 /nfs/dbraw/zinc/09/00/41/856090041.db2.gz CHLMIOSDUMBNEO-UHFFFAOYSA-N 2 1 395.591 3.750 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000700809967 856196673 /nfs/dbraw/zinc/19/66/73/856196673.db2.gz XNYXLKOAWSUSDL-WTGUMLROSA-N 2 1 379.589 3.876 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168569236 856227374 /nfs/dbraw/zinc/22/73/74/856227374.db2.gz CQLSXPKYFSENTB-HZPDHXFCSA-N 2 1 395.510 3.981 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387702 856427099 /nfs/dbraw/zinc/42/70/99/856427099.db2.gz OPZBFJVUPJYWIB-ZWKOTPCHSA-N 2 1 382.976 3.785 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387702 856427109 /nfs/dbraw/zinc/42/71/09/856427109.db2.gz OPZBFJVUPJYWIB-ZWKOTPCHSA-N 2 1 382.976 3.785 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387702 856427115 /nfs/dbraw/zinc/42/71/15/856427115.db2.gz OPZBFJVUPJYWIB-ZWKOTPCHSA-N 2 1 382.976 3.785 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387702 856427125 /nfs/dbraw/zinc/42/71/25/856427125.db2.gz OPZBFJVUPJYWIB-ZWKOTPCHSA-N 2 1 382.976 3.785 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000658082758 856440393 /nfs/dbraw/zinc/44/03/93/856440393.db2.gz MYFBPHUXLIVUSK-BCDXTJNWSA-N 2 1 376.426 3.781 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658082758 856440397 /nfs/dbraw/zinc/44/03/97/856440397.db2.gz MYFBPHUXLIVUSK-BCDXTJNWSA-N 2 1 376.426 3.781 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397164 856444402 /nfs/dbraw/zinc/44/44/02/856444402.db2.gz RXWIZKGFFGUFJG-RSEQLOHWSA-N 2 1 396.575 3.736 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397164 856444408 /nfs/dbraw/zinc/44/44/08/856444408.db2.gz RXWIZKGFFGUFJG-RSEQLOHWSA-N 2 1 396.575 3.736 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397164 856444417 /nfs/dbraw/zinc/44/44/17/856444417.db2.gz RXWIZKGFFGUFJG-RSEQLOHWSA-N 2 1 396.575 3.736 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC1CCCCCC1 ZINC000485473803 856637503 /nfs/dbraw/zinc/63/75/03/856637503.db2.gz ILHOFEMFYNHLKV-UHFFFAOYSA-N 2 1 383.580 3.814 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)CC3 ZINC000658134513 856760072 /nfs/dbraw/zinc/76/00/72/856760072.db2.gz BAQLZMPUXXMEQZ-SFTDATJTSA-N 2 1 389.543 3.690 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1sccc1Br ZINC000658136704 856774840 /nfs/dbraw/zinc/77/48/40/856774840.db2.gz DUVLWSPQOWQMED-XJKSGUPXSA-N 2 1 395.366 3.928 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2C(C)C)CC1 ZINC001168578492 856962020 /nfs/dbraw/zinc/96/20/20/856962020.db2.gz CAQRQMRBXOZZHZ-QHCPKHFHSA-N 2 1 385.596 3.976 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)s1 ZINC000181409417 862866556 /nfs/dbraw/zinc/86/65/56/862866556.db2.gz IXNMDXMIJKYECO-CFVMTHIKSA-N 2 1 387.387 3.929 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccco1 ZINC000056764424 857107214 /nfs/dbraw/zinc/10/72/14/857107214.db2.gz QZCITIMUOOSSMF-FQEVSTJZSA-N 2 1 384.524 3.732 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000429247275 857207202 /nfs/dbraw/zinc/20/72/02/857207202.db2.gz QWGWKGHWRQNYHJ-INIZCTEOSA-N 2 1 392.494 3.655 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000429247275 857207210 /nfs/dbraw/zinc/20/72/10/857207210.db2.gz QWGWKGHWRQNYHJ-INIZCTEOSA-N 2 1 392.494 3.655 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c2ccccc2)CC1 ZINC000057792144 857234753 /nfs/dbraw/zinc/23/47/53/857234753.db2.gz WMYRESLCYQCXAA-RTWAWAEBSA-N 2 1 398.551 3.655 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000057847207 857243173 /nfs/dbraw/zinc/24/31/73/857243173.db2.gz KOOAGPLGNSUMRQ-OAHLLOKOSA-N 2 1 381.948 3.729 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000766122774 857270427 /nfs/dbraw/zinc/27/04/27/857270427.db2.gz OJJYPTOHKNDYIG-VJBWXMMDSA-N 2 1 380.532 3.545 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000766122774 857270449 /nfs/dbraw/zinc/27/04/49/857270449.db2.gz OJJYPTOHKNDYIG-VJBWXMMDSA-N 2 1 380.532 3.545 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000058419450 857298051 /nfs/dbraw/zinc/29/80/51/857298051.db2.gz PQDVZEOKZRPCPM-UHFFFAOYSA-N 2 1 390.572 3.745 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000174921680 857408153 /nfs/dbraw/zinc/40/81/53/857408153.db2.gz PVNXUJJZJDYDPG-GMAHTHKFSA-N 2 1 379.548 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000174921680 857408156 /nfs/dbraw/zinc/40/81/56/857408156.db2.gz PVNXUJJZJDYDPG-GMAHTHKFSA-N 2 1 379.548 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000174921680 857408159 /nfs/dbraw/zinc/40/81/59/857408159.db2.gz PVNXUJJZJDYDPG-GMAHTHKFSA-N 2 1 379.548 3.660 20 0 GHADMP O=C(N[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000658345299 857447630 /nfs/dbraw/zinc/44/76/30/857447630.db2.gz XRMOTABWEJPCJF-DNQXCXABSA-N 2 1 391.559 3.982 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000061864544 857545414 /nfs/dbraw/zinc/54/54/14/857545414.db2.gz JAVKVNMBNMMVBM-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000061864544 857545421 /nfs/dbraw/zinc/54/54/21/857545421.db2.gz JAVKVNMBNMMVBM-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000061864544 857545433 /nfs/dbraw/zinc/54/54/33/857545433.db2.gz JAVKVNMBNMMVBM-BGYRXZFFSA-N 2 1 388.600 3.696 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000077512665 857569870 /nfs/dbraw/zinc/56/98/70/857569870.db2.gz UZOIPNUFODWWHH-LJQANCHMSA-N 2 1 380.536 3.877 20 0 GHADMP C[C@H](Cc1cccs1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000675811372 857621222 /nfs/dbraw/zinc/62/12/22/857621222.db2.gz QJXSFXFIUMXAGM-GOSISDBHSA-N 2 1 388.577 3.959 20 0 GHADMP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000675880524 857658508 /nfs/dbraw/zinc/65/85/08/857658508.db2.gz FQDGLYUSHMXQPQ-QFIPXVFZSA-N 2 1 391.987 3.537 20 0 GHADMP CCOc1cc2[nH+]ccc(N3CC[NH+](Cc4ccccn4)CC3)c2cc1OCC ZINC000486432488 857732654 /nfs/dbraw/zinc/73/26/54/857732654.db2.gz KNWSORWZKYVXDZ-UHFFFAOYSA-N 2 1 392.503 3.749 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000065441573 857795792 /nfs/dbraw/zinc/79/57/92/857795792.db2.gz DDJFDAOCLUYSLS-WOJBJXKFSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000065441573 857795798 /nfs/dbraw/zinc/79/57/98/857795798.db2.gz DDJFDAOCLUYSLS-WOJBJXKFSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000065441573 857795804 /nfs/dbraw/zinc/79/58/04/857795804.db2.gz DDJFDAOCLUYSLS-WOJBJXKFSA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000065549914 857817513 /nfs/dbraw/zinc/81/75/13/857817513.db2.gz ZWCWIGZRMQQWJM-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000466025128 857880459 /nfs/dbraw/zinc/88/04/59/857880459.db2.gz GFEKUJACAZTITJ-TZIWHRDSSA-N 2 1 388.600 3.659 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000109754952 857974916 /nfs/dbraw/zinc/97/49/16/857974916.db2.gz CKZJRKMYJFNFKD-SFHVURJKSA-N 2 1 382.017 3.924 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000574757088 858162144 /nfs/dbraw/zinc/16/21/44/858162144.db2.gz PEWWUZSSRLRBPL-OAQYLSRUSA-N 2 1 393.531 3.526 20 0 GHADMP CCCCOc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000442892509 858213762 /nfs/dbraw/zinc/21/37/62/858213762.db2.gz VHIGOOPRFHYLKI-SFHVURJKSA-N 2 1 377.573 3.551 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282333982 858243975 /nfs/dbraw/zinc/24/39/75/858243975.db2.gz FZJRXOZDSDMJPT-IEIRFRATSA-N 2 1 392.547 3.793 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000443064451 858332573 /nfs/dbraw/zinc/33/25/73/858332573.db2.gz YGHPRUCLHAKOEX-JTSKRJEESA-N 2 1 385.939 3.606 20 0 GHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c1 ZINC000443056823 858342357 /nfs/dbraw/zinc/34/23/57/858342357.db2.gz DFSAEAIEGOWOHC-KRWDZBQOSA-N 2 1 386.565 3.502 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[NH+](CC)CC)cc1 ZINC000574894189 858387081 /nfs/dbraw/zinc/38/70/81/858387081.db2.gz GGPSPMBEZCHEPI-OAQYLSRUSA-N 2 1 397.567 3.664 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000522076287 858596435 /nfs/dbraw/zinc/59/64/35/858596435.db2.gz JNBIUKYGGVVLED-HXUWFJFHSA-N 2 1 394.563 3.602 20 0 GHADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000183352646 858725770 /nfs/dbraw/zinc/72/57/70/858725770.db2.gz LLGPBSCCISGTSD-RUZDIDTESA-N 2 1 395.591 3.998 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)c1 ZINC000183555886 858771409 /nfs/dbraw/zinc/77/14/09/858771409.db2.gz FOAXWPUYJUSDOE-DEOSSOPVSA-N 2 1 381.564 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)C[C@H](C)O1 ZINC000474075777 858790869 /nfs/dbraw/zinc/79/08/69/858790869.db2.gz WRWOMXNEGXQHDT-UBFQBMNUSA-N 2 1 386.580 3.981 20 0 GHADMP OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000923007898 858934455 /nfs/dbraw/zinc/93/44/55/858934455.db2.gz WGXDRGQIHTXITL-KMDXXIMOSA-N 2 1 376.544 3.866 20 0 GHADMP OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000923007898 858934460 /nfs/dbraw/zinc/93/44/60/858934460.db2.gz WGXDRGQIHTXITL-KMDXXIMOSA-N 2 1 376.544 3.866 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)CC[N@H+]1C ZINC000625801173 858936777 /nfs/dbraw/zinc/93/67/77/858936777.db2.gz AUNRLTIMUMQBDE-MJUUVYJYSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[NH+]1C ZINC000625801173 858936783 /nfs/dbraw/zinc/93/67/83/858936783.db2.gz AUNRLTIMUMQBDE-MJUUVYJYSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[NH+]1C ZINC000625801173 858936787 /nfs/dbraw/zinc/93/67/87/858936787.db2.gz AUNRLTIMUMQBDE-MJUUVYJYSA-N 2 1 397.588 3.563 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000429688630 859008503 /nfs/dbraw/zinc/00/85/03/859008503.db2.gz CPOXMLXUOVEZII-JWQCQUIFSA-N 2 1 399.623 3.866 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000116536275 859021188 /nfs/dbraw/zinc/02/11/88/859021188.db2.gz ZKEHFYCEVJCHNX-HXUWFJFHSA-N 2 1 394.563 3.643 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C)nn(C(C)(C)C)c3C)C2)ccn1 ZINC000856551994 881372926 /nfs/dbraw/zinc/37/29/26/881372926.db2.gz FGVKRWYJZSZULX-OAQYLSRUSA-N 2 1 399.583 3.755 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(C)nn(C(C)(C)C)c3C)C2)ccn1 ZINC000856551994 881372946 /nfs/dbraw/zinc/37/29/46/881372946.db2.gz FGVKRWYJZSZULX-OAQYLSRUSA-N 2 1 399.583 3.755 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(C)nn(C(C)(C)C)c3C)C2)ccn1 ZINC000856551994 881372966 /nfs/dbraw/zinc/37/29/66/881372966.db2.gz FGVKRWYJZSZULX-OAQYLSRUSA-N 2 1 399.583 3.755 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000532192861 881373278 /nfs/dbraw/zinc/37/32/78/881373278.db2.gz ZLAZNDNHWWTPPP-JYJNAYRXSA-N 2 1 381.948 3.918 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000532192861 881373299 /nfs/dbraw/zinc/37/32/99/881373299.db2.gz ZLAZNDNHWWTPPP-JYJNAYRXSA-N 2 1 381.948 3.918 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023416 859097215 /nfs/dbraw/zinc/09/72/15/859097215.db2.gz WGLPJZGFUODAHF-OPMZPASUSA-N 2 1 383.511 3.587 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659446 859113120 /nfs/dbraw/zinc/11/31/20/859113120.db2.gz AOCPSWOBPVIDIK-CVEARBPZSA-N 2 1 395.950 3.680 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659446 859113123 /nfs/dbraw/zinc/11/31/23/859113123.db2.gz AOCPSWOBPVIDIK-CVEARBPZSA-N 2 1 395.950 3.680 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185732528 859122259 /nfs/dbraw/zinc/12/22/59/859122259.db2.gz XGUWLUWISNEGPT-PMPSAXMXSA-N 2 1 395.494 3.858 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185732528 859122264 /nfs/dbraw/zinc/12/22/64/859122264.db2.gz XGUWLUWISNEGPT-PMPSAXMXSA-N 2 1 395.494 3.858 20 0 GHADMP O=C(C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000483112726 859157745 /nfs/dbraw/zinc/15/77/45/859157745.db2.gz UDTWFHXIIQVHAO-JOCHJYFZSA-N 2 1 395.522 3.527 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000543289765 859158409 /nfs/dbraw/zinc/15/84/09/859158409.db2.gz OYKSPQKFEMWASB-RTWAWAEBSA-N 2 1 398.595 3.970 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000483146528 859179679 /nfs/dbraw/zinc/17/96/79/859179679.db2.gz QUBXGWGPCKBVBL-QZTJIDSGSA-N 2 1 383.540 3.805 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)[C@@H](C)C1 ZINC000483192244 859216390 /nfs/dbraw/zinc/21/63/90/859216390.db2.gz GTIBHXNYJQVBNA-QFBILLFUSA-N 2 1 383.374 3.718 20 0 GHADMP Cc1cccc(C2(C(=O)N(C)[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)CCCCC2)c1 ZINC000601476822 859289140 /nfs/dbraw/zinc/28/91/40/859289140.db2.gz KZWKEGBYDYTLCH-HSZRJFAPSA-N 2 1 397.607 3.824 20 0 GHADMP Cc1cccc(C2(C(=O)N(C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)CCCCC2)c1 ZINC000601476822 859289149 /nfs/dbraw/zinc/28/91/49/859289149.db2.gz KZWKEGBYDYTLCH-HSZRJFAPSA-N 2 1 397.607 3.824 20 0 GHADMP CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601478223 859289193 /nfs/dbraw/zinc/28/91/93/859289193.db2.gz XUFLVLMQMKGOGI-ZTCOLXNVSA-N 2 1 391.559 3.570 20 0 GHADMP CN(C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601478223 859289201 /nfs/dbraw/zinc/28/92/01/859289201.db2.gz XUFLVLMQMKGOGI-ZTCOLXNVSA-N 2 1 391.559 3.570 20 0 GHADMP COC[C@H]([NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1)[C@@H](O)c1ccccc1 ZINC001168026888 859365643 /nfs/dbraw/zinc/36/56/43/859365643.db2.gz LXCILZZKPCPPDE-VSQYNUGQSA-N 2 1 382.548 3.766 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000626062245 859436892 /nfs/dbraw/zinc/43/68/92/859436892.db2.gz MKFWIBOXMWQZIS-KRWDZBQOSA-N 2 1 399.535 3.615 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000543372144 859440867 /nfs/dbraw/zinc/44/08/67/859440867.db2.gz YZACMIXHCKQBGP-LEWJYISDSA-N 2 1 398.595 3.970 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H]2CCC[C@H]21 ZINC000671743458 859448394 /nfs/dbraw/zinc/44/83/94/859448394.db2.gz NKKVFGAGRUNXMA-FGTMMUONSA-N 2 1 378.442 3.854 20 0 GHADMP CCC[N@H+](CC(=O)Nc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198026 859493462 /nfs/dbraw/zinc/49/34/62/859493462.db2.gz GQFBSXKKKUDJAB-UHFFFAOYSA-N 2 1 395.551 3.721 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1ccc(C)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198026 859493468 /nfs/dbraw/zinc/49/34/68/859493468.db2.gz GQFBSXKKKUDJAB-UHFFFAOYSA-N 2 1 395.551 3.721 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H]1C ZINC000483807428 859624503 /nfs/dbraw/zinc/62/45/03/859624503.db2.gz MHPZZSZCWGERPJ-CMTKHCJTSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H]1C ZINC000483807428 859624508 /nfs/dbraw/zinc/62/45/08/859624508.db2.gz MHPZZSZCWGERPJ-CMTKHCJTSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1C ZINC000483807428 859624510 /nfs/dbraw/zinc/62/45/10/859624510.db2.gz MHPZZSZCWGERPJ-CMTKHCJTSA-N 2 1 398.595 3.696 20 0 GHADMP Cc1cccc2ncc(C[NH+]3CC[C@@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)n21 ZINC000856561007 881444876 /nfs/dbraw/zinc/44/48/76/881444876.db2.gz QZNKOXQZUHGDOA-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2ncc(C[N@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)n21 ZINC000856561007 881444885 /nfs/dbraw/zinc/44/48/85/881444885.db2.gz QZNKOXQZUHGDOA-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2ncc(C[N@@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)n21 ZINC000856561007 881444893 /nfs/dbraw/zinc/44/48/93/881444893.db2.gz QZNKOXQZUHGDOA-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000543431704 859683459 /nfs/dbraw/zinc/68/34/59/859683459.db2.gz QWHLOPJHTBBZBK-HBMCJLEFSA-N 2 1 385.596 3.771 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCSc2ccccc21 ZINC000543458520 859788987 /nfs/dbraw/zinc/78/89/87/859788987.db2.gz GISJDDMBAYJVIU-OKZBNKHCSA-N 2 1 387.593 3.756 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCSc2ccccc21 ZINC000543458520 859788995 /nfs/dbraw/zinc/78/89/95/859788995.db2.gz GISJDDMBAYJVIU-OKZBNKHCSA-N 2 1 387.593 3.756 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739485 859885664 /nfs/dbraw/zinc/88/56/64/859885664.db2.gz CLDXSQODNRVDKV-KDURUIRLSA-N 2 1 395.547 3.886 20 0 GHADMP CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739485 859885671 /nfs/dbraw/zinc/88/56/71/859885671.db2.gz CLDXSQODNRVDKV-KDURUIRLSA-N 2 1 395.547 3.886 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000895739485 859885682 /nfs/dbraw/zinc/88/56/82/859885682.db2.gz CLDXSQODNRVDKV-KDURUIRLSA-N 2 1 395.547 3.886 20 0 GHADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(-c4cccs4)n3)C2)[C@H]1C(C)C ZINC000922392575 859894592 /nfs/dbraw/zinc/89/45/92/859894592.db2.gz DXIDKMHYOQXFQE-QQTQMKHKSA-N 2 1 391.606 3.831 20 0 GHADMP c1nc([C@H]2CCCO2)sc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000895791866 859946501 /nfs/dbraw/zinc/94/65/01/859946501.db2.gz HJCXNHNRSXWISS-QKNQBKEWSA-N 2 1 383.561 3.949 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168412626 860042261 /nfs/dbraw/zinc/04/22/61/860042261.db2.gz RSLXUFDUCZCQBT-FQEVSTJZSA-N 2 1 393.547 3.509 20 0 GHADMP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)c2ccccc2)CC1 ZINC000532214055 860233180 /nfs/dbraw/zinc/23/31/80/860233180.db2.gz QPYPLPJCTAFQPO-RTWAWAEBSA-N 2 1 385.552 3.941 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000182528834 860304343 /nfs/dbraw/zinc/30/43/43/860304343.db2.gz DSBURAMXMRMAES-DHIUTWEWSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000765662086 860389492 /nfs/dbraw/zinc/38/94/92/860389492.db2.gz OBEZSLAJEQWECQ-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000765662086 860389494 /nfs/dbraw/zinc/38/94/94/860389494.db2.gz OBEZSLAJEQWECQ-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP CCN(C(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000499998842 860439797 /nfs/dbraw/zinc/43/97/97/860439797.db2.gz BVPIIIUBHVHMAQ-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000499998842 860439802 /nfs/dbraw/zinc/43/98/02/860439802.db2.gz BVPIIIUBHVHMAQ-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000499998842 860439809 /nfs/dbraw/zinc/43/98/09/860439809.db2.gz BVPIIIUBHVHMAQ-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000499998842 860439814 /nfs/dbraw/zinc/43/98/14/860439814.db2.gz BVPIIIUBHVHMAQ-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000904509324 860482602 /nfs/dbraw/zinc/48/26/02/860482602.db2.gz CBGNLMAXFZUBPO-URVUXULASA-N 2 1 378.520 3.568 20 0 GHADMP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)COCC2 ZINC000921573137 860525171 /nfs/dbraw/zinc/52/51/71/860525171.db2.gz OEWWXEYXDADJCL-UHFFFAOYSA-N 2 1 382.552 3.547 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000904647159 860542958 /nfs/dbraw/zinc/54/29/58/860542958.db2.gz BHNNOVICYJYJPS-UNMCSNQZSA-N 2 1 378.520 3.664 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(OC)ccc3Cl)C2)ccn1 ZINC000856584319 881554499 /nfs/dbraw/zinc/55/44/99/881554499.db2.gz HQNJVNJVSNAREY-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(OC)ccc3Cl)C2)ccn1 ZINC000856584319 881554519 /nfs/dbraw/zinc/55/45/19/881554519.db2.gz HQNJVNJVSNAREY-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(OC)ccc3Cl)C2)ccn1 ZINC000856584319 881554536 /nfs/dbraw/zinc/55/45/36/881554536.db2.gz HQNJVNJVSNAREY-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)ccc3Cl)C2)ccn1 ZINC000856584212 881555322 /nfs/dbraw/zinc/55/53/22/881555322.db2.gz FFDRSLQGMUTIAW-IBGZPJMESA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)ccc3Cl)C2)ccn1 ZINC000856584212 881555327 /nfs/dbraw/zinc/55/53/27/881555327.db2.gz FFDRSLQGMUTIAW-IBGZPJMESA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3Cl)C2)ccn1 ZINC000856584212 881555333 /nfs/dbraw/zinc/55/53/33/881555333.db2.gz FFDRSLQGMUTIAW-IBGZPJMESA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3Cl)C2)ccn1 ZINC000856584212 881555339 /nfs/dbraw/zinc/55/53/39/881555339.db2.gz FFDRSLQGMUTIAW-IBGZPJMESA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCSc3ccccc3F)C2)ccn1 ZINC000856591565 881563653 /nfs/dbraw/zinc/56/36/53/881563653.db2.gz BLRJUOPMVYUZJA-LJQANCHMSA-N 2 1 389.540 3.918 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCSc3ccccc3F)C2)ccn1 ZINC000856591565 881563660 /nfs/dbraw/zinc/56/36/60/881563660.db2.gz BLRJUOPMVYUZJA-LJQANCHMSA-N 2 1 389.540 3.918 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCSc3ccccc3F)C2)ccn1 ZINC000856591565 881563671 /nfs/dbraw/zinc/56/36/71/881563671.db2.gz BLRJUOPMVYUZJA-LJQANCHMSA-N 2 1 389.540 3.918 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3cc(C)ccc3C)C2)ccn1 ZINC000856592955 881565450 /nfs/dbraw/zinc/56/54/50/881565450.db2.gz LGSLMUHHPCRYHB-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3cc(C)ccc3C)C2)ccn1 ZINC000856592955 881565457 /nfs/dbraw/zinc/56/54/57/881565457.db2.gz LGSLMUHHPCRYHB-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3cc(C)ccc3C)C2)ccn1 ZINC000856592955 881565470 /nfs/dbraw/zinc/56/54/70/881565470.db2.gz LGSLMUHHPCRYHB-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CCc1cccc(OCC[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c1 ZINC000856593246 881566478 /nfs/dbraw/zinc/56/64/78/881566478.db2.gz QQPMPEYOZZQOMH-QHCPKHFHSA-N 2 1 383.536 3.628 20 0 GHADMP CCc1cccc(OCC[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856593246 881566488 /nfs/dbraw/zinc/56/64/88/881566488.db2.gz QQPMPEYOZZQOMH-QHCPKHFHSA-N 2 1 383.536 3.628 20 0 GHADMP CCc1cccc(OCC[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856593246 881566500 /nfs/dbraw/zinc/56/65/00/881566500.db2.gz QQPMPEYOZZQOMH-QHCPKHFHSA-N 2 1 383.536 3.628 20 0 GHADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000489825063 860763361 /nfs/dbraw/zinc/76/33/61/860763361.db2.gz LUCXBMKEGIWVTD-FYYLOGMGSA-N 2 1 383.511 3.577 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000489825063 860763368 /nfs/dbraw/zinc/76/33/68/860763368.db2.gz LUCXBMKEGIWVTD-FYYLOGMGSA-N 2 1 383.511 3.577 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673648649 861087865 /nfs/dbraw/zinc/08/78/65/861087865.db2.gz HNNWNSKPTJWXOL-HSZRJFAPSA-N 2 1 388.515 3.852 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673648649 861087877 /nfs/dbraw/zinc/08/78/77/861087877.db2.gz HNNWNSKPTJWXOL-HSZRJFAPSA-N 2 1 388.515 3.852 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000532269943 881641373 /nfs/dbraw/zinc/64/13/73/881641373.db2.gz IJQKNKRTLKBKFG-RBUKOAKNSA-N 2 1 397.346 3.737 20 0 GHADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482560214 863312842 /nfs/dbraw/zinc/31/28/42/863312842.db2.gz XJDSPWICEIWBEW-PKOBYXMFSA-N 2 1 399.501 3.970 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Nc3ccccc3)c2)CC1 ZINC000522813686 863433559 /nfs/dbraw/zinc/43/35/59/863433559.db2.gz ANYCAJHQCKKXGO-UHFFFAOYSA-N 2 1 387.487 3.829 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000183138095 863483202 /nfs/dbraw/zinc/48/32/02/863483202.db2.gz QNLLJQMIKKVHOH-ROUUACIJSA-N 2 1 376.504 3.878 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000183152347 863489062 /nfs/dbraw/zinc/48/90/62/863489062.db2.gz BXQVDVFNSDAWDD-HOTGVXAUSA-N 2 1 380.467 3.675 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000665555349 863563388 /nfs/dbraw/zinc/56/33/88/863563388.db2.gz BYNUHNGIXLNIGE-NRSPTQNISA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000665555349 863563399 /nfs/dbraw/zinc/56/33/99/863563399.db2.gz BYNUHNGIXLNIGE-NRSPTQNISA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000665555349 863563410 /nfs/dbraw/zinc/56/34/10/863563410.db2.gz BYNUHNGIXLNIGE-NRSPTQNISA-N 2 1 386.584 3.554 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1Br ZINC000444197492 863644658 /nfs/dbraw/zinc/64/46/58/863644658.db2.gz RUJMAKRAVJASKD-INIZCTEOSA-N 2 1 394.357 3.586 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000175120417 863704609 /nfs/dbraw/zinc/70/46/09/863704609.db2.gz NURMUYFNKCLQQF-LJQANCHMSA-N 2 1 397.567 3.703 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000175120417 863704611 /nfs/dbraw/zinc/70/46/11/863704611.db2.gz NURMUYFNKCLQQF-LJQANCHMSA-N 2 1 397.567 3.703 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000606635467 863726309 /nfs/dbraw/zinc/72/63/09/863726309.db2.gz HVPPNCKPBMPMMS-OALUTQOASA-N 2 1 386.584 3.591 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000606622011 863740733 /nfs/dbraw/zinc/74/07/33/863740733.db2.gz OJXLCVQOELUBMK-JOCHJYFZSA-N 2 1 386.584 3.512 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606704173 863769751 /nfs/dbraw/zinc/76/97/51/863769751.db2.gz QLGSVPVIUHWUAV-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000606704173 863769758 /nfs/dbraw/zinc/76/97/58/863769758.db2.gz QLGSVPVIUHWUAV-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000606704173 863769775 /nfs/dbraw/zinc/76/97/75/863769775.db2.gz QLGSVPVIUHWUAV-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000606688348 863779683 /nfs/dbraw/zinc/77/96/83/863779683.db2.gz NZBBDFTXRDMKEK-IBGZPJMESA-N 2 1 386.584 3.776 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)sc2c1)C1CC1 ZINC000667611497 863959826 /nfs/dbraw/zinc/95/98/26/863959826.db2.gz QGSWCBORFXWMKV-WMZOPIPTSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)sc2c1)C1CC1 ZINC000667611497 863959836 /nfs/dbraw/zinc/95/98/36/863959836.db2.gz QGSWCBORFXWMKV-WMZOPIPTSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)sc2c1)C1CC1 ZINC000667611497 863959843 /nfs/dbraw/zinc/95/98/43/863959843.db2.gz QGSWCBORFXWMKV-WMZOPIPTSA-N 2 1 399.564 3.639 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000158837168 863963951 /nfs/dbraw/zinc/96/39/51/863963951.db2.gz NSANTJNPXPLXKE-GOSISDBHSA-N 2 1 393.510 3.764 20 0 GHADMP Cc1c(F)cccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000120779144 881721245 /nfs/dbraw/zinc/72/12/45/881721245.db2.gz JEOAQZWUQDSQTE-RTWAWAEBSA-N 2 1 390.547 3.935 20 0 GHADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000554300871 864084407 /nfs/dbraw/zinc/08/44/07/864084407.db2.gz GRKXMDBASIHAEH-MVJPYGJCSA-N 2 1 375.944 3.514 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000898522854 864090694 /nfs/dbraw/zinc/09/06/94/864090694.db2.gz TURLPVLQYMOOBS-FSSWDIPSSA-N 2 1 389.547 3.667 20 0 GHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000607167742 864129267 /nfs/dbraw/zinc/12/92/67/864129267.db2.gz JZAYGCHZKFNMAT-LADGPHEKSA-N 2 1 382.548 3.838 20 0 GHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000607167742 864129275 /nfs/dbraw/zinc/12/92/75/864129275.db2.gz JZAYGCHZKFNMAT-LADGPHEKSA-N 2 1 382.548 3.838 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000523003109 864314727 /nfs/dbraw/zinc/31/47/27/864314727.db2.gz IFBMLZFOJJGOKG-PWRODBHTSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000523003109 864314736 /nfs/dbraw/zinc/31/47/36/864314736.db2.gz IFBMLZFOJJGOKG-PWRODBHTSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000523003109 864314738 /nfs/dbraw/zinc/31/47/38/864314738.db2.gz IFBMLZFOJJGOKG-PWRODBHTSA-N 2 1 378.605 3.547 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000621642517 864345268 /nfs/dbraw/zinc/34/52/68/864345268.db2.gz PJQFDEZTJXSLST-NQIIRXRSSA-N 2 1 397.588 3.744 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000621642517 864345282 /nfs/dbraw/zinc/34/52/82/864345282.db2.gz PJQFDEZTJXSLST-NQIIRXRSSA-N 2 1 397.588 3.744 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000607366284 864349170 /nfs/dbraw/zinc/34/91/70/864349170.db2.gz GLOBHZUTRHVJOC-NTKDMRAZSA-N 2 1 398.547 3.599 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000607366284 864349184 /nfs/dbraw/zinc/34/91/84/864349184.db2.gz GLOBHZUTRHVJOC-NTKDMRAZSA-N 2 1 398.547 3.599 20 0 GHADMP COc1ccc(O[C@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168058740 864475533 /nfs/dbraw/zinc/47/55/33/864475533.db2.gz QZJRKHSSAVCDMC-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168058740 864475538 /nfs/dbraw/zinc/47/55/38/864475538.db2.gz QZJRKHSSAVCDMC-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168058740 864475547 /nfs/dbraw/zinc/47/55/47/864475547.db2.gz QZJRKHSSAVCDMC-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1Oc1ccccc1 ZINC000480327243 864504382 /nfs/dbraw/zinc/50/43/82/864504382.db2.gz LMGVCVKKFSNDFV-SMIHKQSGSA-N 2 1 380.532 3.866 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000164250075 864602219 /nfs/dbraw/zinc/60/22/19/864602219.db2.gz DMNWWPKEMHXPNQ-HZPDHXFCSA-N 2 1 398.532 3.964 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000164250197 864602439 /nfs/dbraw/zinc/60/24/39/864602439.db2.gz DMNWWPKEMHXPNQ-JKSUJKDBSA-N 2 1 398.532 3.964 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CNC[C@@H]3CC[NH+](Cc4ccccc4)C3)sc2C1 ZINC000475224067 864604496 /nfs/dbraw/zinc/60/44/96/864604496.db2.gz LQXUYSFKSHROMA-IBGZPJMESA-N 2 1 384.593 3.521 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000475224067 864604499 /nfs/dbraw/zinc/60/44/99/864604499.db2.gz LQXUYSFKSHROMA-IBGZPJMESA-N 2 1 384.593 3.521 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000475224067 864604503 /nfs/dbraw/zinc/60/45/03/864604503.db2.gz LQXUYSFKSHROMA-IBGZPJMESA-N 2 1 384.593 3.521 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000607669378 864624409 /nfs/dbraw/zinc/62/44/09/864624409.db2.gz PUDLDXZAIZCLMN-LJQANCHMSA-N 2 1 398.551 3.655 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000607669378 864624412 /nfs/dbraw/zinc/62/44/12/864624412.db2.gz PUDLDXZAIZCLMN-LJQANCHMSA-N 2 1 398.551 3.655 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000480426778 864629180 /nfs/dbraw/zinc/62/91/80/864629180.db2.gz KIWLUECHKMBONB-XUZZJYLKSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000480426778 864629187 /nfs/dbraw/zinc/62/91/87/864629187.db2.gz KIWLUECHKMBONB-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000480426778 864629193 /nfs/dbraw/zinc/62/91/93/864629193.db2.gz KIWLUECHKMBONB-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000480426778 864629199 /nfs/dbraw/zinc/62/91/99/864629199.db2.gz KIWLUECHKMBONB-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000480471973 864715479 /nfs/dbraw/zinc/71/54/79/864715479.db2.gz QPTIMKKQSISPSJ-YADARESESA-N 2 1 398.595 3.775 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000480471973 864715486 /nfs/dbraw/zinc/71/54/86/864715486.db2.gz QPTIMKKQSISPSJ-YADARESESA-N 2 1 398.595 3.775 20 0 GHADMP CCN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475365917 864873200 /nfs/dbraw/zinc/87/32/00/864873200.db2.gz CKLXQGQUTXMMEV-XXDDBKGRSA-N 2 1 398.595 3.870 20 0 GHADMP Cc1ccc(C(=O)CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000480575328 864897982 /nfs/dbraw/zinc/89/79/82/864897982.db2.gz FKWHBTQQILQKMK-UHFFFAOYSA-N 2 1 385.596 3.696 20 0 GHADMP Cc1ccc(C(=O)CC[N@H+](C)CCC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000480575328 864897992 /nfs/dbraw/zinc/89/79/92/864897992.db2.gz FKWHBTQQILQKMK-UHFFFAOYSA-N 2 1 385.596 3.696 20 0 GHADMP Cc1ccc(C(=O)CC[N@@H+](C)CCC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000480575328 864898005 /nfs/dbraw/zinc/89/80/05/864898005.db2.gz FKWHBTQQILQKMK-UHFFFAOYSA-N 2 1 385.596 3.696 20 0 GHADMP C[NH+](C)C[C@H]1CCCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000608012866 864915002 /nfs/dbraw/zinc/91/50/02/864915002.db2.gz RBZQHDTUOWOWBA-HSZRJFAPSA-N 2 1 379.548 3.632 20 0 GHADMP C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182651516 864921765 /nfs/dbraw/zinc/92/17/65/864921765.db2.gz GFKCMMIRHDUFEK-PMACEKPBSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000480617623 864975124 /nfs/dbraw/zinc/97/51/24/864975124.db2.gz YTYHGTMVIQJEGZ-AUSIDOKSSA-N 2 1 395.547 3.914 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccccc1-n1cncn1 ZINC000608058417 864983235 /nfs/dbraw/zinc/98/32/35/864983235.db2.gz PQLCTPXACIDRSB-UHFFFAOYSA-N 2 1 387.487 3.782 20 0 GHADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169138130 865063762 /nfs/dbraw/zinc/06/37/62/865063762.db2.gz ZNZYVGLNEHBEMA-BPQIPLTHSA-N 2 1 385.474 3.578 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1O ZINC000554864426 865081725 /nfs/dbraw/zinc/08/17/25/865081725.db2.gz VWGKFROQKSIDSP-NRFANRHFSA-N 2 1 384.520 3.800 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1O ZINC000554864426 865081730 /nfs/dbraw/zinc/08/17/30/865081730.db2.gz VWGKFROQKSIDSP-NRFANRHFSA-N 2 1 384.520 3.800 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC000480694040 865099611 /nfs/dbraw/zinc/09/96/11/865099611.db2.gz NQOQQYQGXLCNRI-QHCPKHFHSA-N 2 1 379.548 3.610 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)C[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000480717828 865158917 /nfs/dbraw/zinc/15/89/17/865158917.db2.gz OBQIVUUKYLVBDE-GHTZIAJQSA-N 2 1 390.572 3.538 20 0 GHADMP CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000554935116 865171076 /nfs/dbraw/zinc/17/10/76/865171076.db2.gz MSVHLPYCASKSQM-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000920181022 881861629 /nfs/dbraw/zinc/86/16/29/881861629.db2.gz ZWCKNPPOVDMPSW-FQEVSTJZSA-N 2 1 396.579 3.816 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000920180237 881858524 /nfs/dbraw/zinc/85/85/24/881858524.db2.gz RENLEYJHDNYUMX-BGYRXZFFSA-N 2 1 396.579 3.529 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000920180237 881858547 /nfs/dbraw/zinc/85/85/47/881858547.db2.gz RENLEYJHDNYUMX-BGYRXZFFSA-N 2 1 396.579 3.529 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[NH+]1CCc2sccc2C1 ZINC000856925700 881861031 /nfs/dbraw/zinc/86/10/31/881861031.db2.gz ZSGFZHIOTLFBDR-PXNSSMCTSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCc2sccc2C1 ZINC000856925700 881861049 /nfs/dbraw/zinc/86/10/49/881861049.db2.gz ZSGFZHIOTLFBDR-PXNSSMCTSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@@H+]1CCc2sccc2C1 ZINC000856925700 881861057 /nfs/dbraw/zinc/86/10/57/881861057.db2.gz ZSGFZHIOTLFBDR-PXNSSMCTSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@H+]1CCc2sccc2C1 ZINC000856925700 881861071 /nfs/dbraw/zinc/86/10/71/881861071.db2.gz ZSGFZHIOTLFBDR-PXNSSMCTSA-N 2 1 397.588 3.734 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000667760825 865424260 /nfs/dbraw/zinc/42/42/60/865424260.db2.gz XYDXQBNWFRYHII-FUPPJEDESA-N 2 1 392.547 3.828 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2c1C ZINC000301706760 865502338 /nfs/dbraw/zinc/50/23/38/865502338.db2.gz GLYACDTXPDEVMC-ZWKOTPCHSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2c1C ZINC000301706760 865502351 /nfs/dbraw/zinc/50/23/51/865502351.db2.gz GLYACDTXPDEVMC-ZWKOTPCHSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2c1C ZINC000301706748 865502502 /nfs/dbraw/zinc/50/25/02/865502502.db2.gz GLYACDTXPDEVMC-QZTJIDSGSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2c1C ZINC000301706748 865502504 /nfs/dbraw/zinc/50/25/04/865502504.db2.gz GLYACDTXPDEVMC-QZTJIDSGSA-N 2 1 399.608 3.824 20 0 GHADMP CCc1c(C)[nH+]c2ccccc2c1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000302068502 865696578 /nfs/dbraw/zinc/69/65/78/865696578.db2.gz UXLJTFGIOLQIPT-YOFSQIOKSA-N 2 1 378.564 3.853 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000481170120 865913463 /nfs/dbraw/zinc/91/34/63/865913463.db2.gz CHUPIUCDAXAJSR-WIYYLYMNSA-N 2 1 382.504 3.684 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000481170120 865913470 /nfs/dbraw/zinc/91/34/70/865913470.db2.gz CHUPIUCDAXAJSR-WIYYLYMNSA-N 2 1 382.504 3.684 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481181881 865943523 /nfs/dbraw/zinc/94/35/23/865943523.db2.gz OEBFYMZGFRXXMA-DNVFCKCGSA-N 2 1 397.538 3.845 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481181881 865943536 /nfs/dbraw/zinc/94/35/36/865943536.db2.gz OEBFYMZGFRXXMA-DNVFCKCGSA-N 2 1 397.538 3.845 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)c2)cc1 ZINC000175013333 865964258 /nfs/dbraw/zinc/96/42/58/865964258.db2.gz MMKYLLDFTIKMSO-PZJWPPBQSA-N 2 1 381.520 3.910 20 0 GHADMP CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475544728 866253109 /nfs/dbraw/zinc/25/31/09/866253109.db2.gz WIOQJEMKEYUQEN-QHCPKHFHSA-N 2 1 377.532 3.629 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000534219827 866322592 /nfs/dbraw/zinc/32/25/92/866322592.db2.gz NIJYJNWWSKOXPY-KRWDZBQOSA-N 2 1 381.307 3.992 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000534219827 866322609 /nfs/dbraw/zinc/32/26/09/866322609.db2.gz NIJYJNWWSKOXPY-KRWDZBQOSA-N 2 1 381.307 3.992 20 0 GHADMP COc1ccc([C@H]2[C@@H](COC(=O)c3ccc4c[nH+]cn4c3)CCC[N@H+]2C)cc1 ZINC000793158212 881982305 /nfs/dbraw/zinc/98/23/05/881982305.db2.gz RXJWVPAHWWBNFQ-NQIIRXRSSA-N 2 1 379.460 3.583 20 0 GHADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000857070098 881983146 /nfs/dbraw/zinc/98/31/46/881983146.db2.gz DDJWKGCPWKLRBQ-CMKODMSKSA-N 2 1 375.557 3.790 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000523144107 866720885 /nfs/dbraw/zinc/72/08/85/866720885.db2.gz KAZDOLGHFTUZEH-XLIONFOSSA-N 2 1 392.975 3.506 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000523203070 866854441 /nfs/dbraw/zinc/85/44/41/866854441.db2.gz JMLJDXHEUQHCPU-DYXWJJEUSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000523203070 866854455 /nfs/dbraw/zinc/85/44/55/866854455.db2.gz JMLJDXHEUQHCPU-DYXWJJEUSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000523203070 866854470 /nfs/dbraw/zinc/85/44/70/866854470.db2.gz JMLJDXHEUQHCPU-DYXWJJEUSA-N 2 1 386.584 3.632 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000444594270 866918101 /nfs/dbraw/zinc/91/81/01/866918101.db2.gz SEWOAEAFYCBQHF-FXAWDEMLSA-N 2 1 395.551 3.615 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000444594270 866918111 /nfs/dbraw/zinc/91/81/11/866918111.db2.gz SEWOAEAFYCBQHF-FXAWDEMLSA-N 2 1 395.551 3.615 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000444599727 866962270 /nfs/dbraw/zinc/96/22/70/866962270.db2.gz XKRIIKNZLDTSIC-MSOLQXFVSA-N 2 1 383.540 3.661 20 0 GHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793207860 882032707 /nfs/dbraw/zinc/03/27/07/882032707.db2.gz SPLBLETVMWECCO-HBFSDRIKSA-N 2 1 375.557 3.790 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c2c1C ZINC000553331321 867194299 /nfs/dbraw/zinc/19/42/99/867194299.db2.gz FFUGKYSTUUMPLD-MAUKXSAKSA-N 2 1 399.608 3.967 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000154036298 867216968 /nfs/dbraw/zinc/21/69/68/867216968.db2.gz NVHDFHWDVMKKJM-OYRHEFFESA-N 2 1 381.564 3.709 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000154036298 867216987 /nfs/dbraw/zinc/21/69/87/867216987.db2.gz NVHDFHWDVMKKJM-OYRHEFFESA-N 2 1 381.564 3.709 20 0 GHADMP Cc1cc2nc(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c3ccccc3n2n1 ZINC000742419295 867284721 /nfs/dbraw/zinc/28/47/21/867284721.db2.gz BAPDWXBTXVMIJR-UHFFFAOYSA-N 2 1 392.551 3.553 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479194355 867306738 /nfs/dbraw/zinc/30/67/38/867306738.db2.gz YLMOUOHFBVEDSL-JTSKRJEESA-N 2 1 383.511 3.559 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154462473 867415790 /nfs/dbraw/zinc/41/57/90/867415790.db2.gz YPWFPWVOYQFPCK-LJQANCHMSA-N 2 1 398.364 3.583 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154548257 867459739 /nfs/dbraw/zinc/45/97/39/867459739.db2.gz CICPFRPFRWZBQK-IBGZPJMESA-N 2 1 385.474 3.580 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553458786 867460417 /nfs/dbraw/zinc/46/04/17/867460417.db2.gz BYNZOCPGFBLOMV-RCZVLFRGSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553458786 867460425 /nfs/dbraw/zinc/46/04/25/867460425.db2.gz BYNZOCPGFBLOMV-RCZVLFRGSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553458786 867460428 /nfs/dbraw/zinc/46/04/28/867460428.db2.gz BYNZOCPGFBLOMV-RCZVLFRGSA-N 2 1 395.591 3.766 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000620796089 867501718 /nfs/dbraw/zinc/50/17/18/867501718.db2.gz KUUOOLLRZUVMFA-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000620796089 867501735 /nfs/dbraw/zinc/50/17/35/867501735.db2.gz KUUOOLLRZUVMFA-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000620796089 867501752 /nfs/dbraw/zinc/50/17/52/867501752.db2.gz KUUOOLLRZUVMFA-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)o1 ZINC000523645307 867682457 /nfs/dbraw/zinc/68/24/57/867682457.db2.gz ONAPYBOEZZFPQZ-QUCCMNQESA-N 2 1 390.572 3.536 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000479411824 867734560 /nfs/dbraw/zinc/73/45/60/867734560.db2.gz RABUFPOUBNZYRY-UZKOGDIHSA-N 2 1 375.520 3.784 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000479411824 867734562 /nfs/dbraw/zinc/73/45/62/867734562.db2.gz RABUFPOUBNZYRY-UZKOGDIHSA-N 2 1 375.520 3.784 20 0 GHADMP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000155108937 867754422 /nfs/dbraw/zinc/75/44/22/867754422.db2.gz ZPGYSTCUOHQORN-IRLDBZIGSA-N 2 1 388.600 3.800 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC1 ZINC000479516293 867942604 /nfs/dbraw/zinc/94/26/04/867942604.db2.gz MOKGVDOWDABNKC-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000479516293 867942624 /nfs/dbraw/zinc/94/26/24/867942624.db2.gz MOKGVDOWDABNKC-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000479516293 867942644 /nfs/dbraw/zinc/94/26/44/867942644.db2.gz MOKGVDOWDABNKC-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)[C@H](C)C1 ZINC000155797307 868108594 /nfs/dbraw/zinc/10/85/94/868108594.db2.gz SJIQJXXKZVLHQR-HBFSDRIKSA-N 2 1 378.557 3.800 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553777006 868182885 /nfs/dbraw/zinc/18/28/85/868182885.db2.gz SMVRRHAQCDHFQL-QFUCXCTJSA-N 2 1 384.568 3.578 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(c4ccccc4)CC3(C)C)CC2)CC1 ZINC000621039567 868576775 /nfs/dbraw/zinc/57/67/75/868576775.db2.gz SKYBCOYGSVUVBG-XMMPIXPASA-N 2 1 383.580 3.624 20 0 GHADMP COc1cc2c(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)cc[nH+]c2cc1F ZINC000479929389 868741510 /nfs/dbraw/zinc/74/15/10/868741510.db2.gz LSLJRKHWTQTQMP-NRFANRHFSA-N 2 1 381.451 3.868 20 0 GHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445818237 869023237 /nfs/dbraw/zinc/02/32/37/869023237.db2.gz KELXEYWZFIXCIJ-OAHLLOKOSA-N 2 1 385.321 3.631 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445818237 869023245 /nfs/dbraw/zinc/02/32/45/869023245.db2.gz KELXEYWZFIXCIJ-OAHLLOKOSA-N 2 1 385.321 3.631 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445818237 869023257 /nfs/dbraw/zinc/02/32/57/869023257.db2.gz KELXEYWZFIXCIJ-OAHLLOKOSA-N 2 1 385.321 3.631 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445818237 869023266 /nfs/dbraw/zinc/02/32/66/869023266.db2.gz KELXEYWZFIXCIJ-OAHLLOKOSA-N 2 1 385.321 3.631 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379629103 869112672 /nfs/dbraw/zinc/11/26/72/869112672.db2.gz OCRNBHJLGZKGDD-NSHGMRRFSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379629103 869112682 /nfs/dbraw/zinc/11/26/82/869112682.db2.gz OCRNBHJLGZKGDD-NSHGMRRFSA-N 2 1 375.557 3.790 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cs1 ZINC000121792249 882283562 /nfs/dbraw/zinc/28/35/62/882283562.db2.gz GXJWKGUNSNFRCX-NRSPTQNISA-N 2 1 389.609 3.855 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[NH+](C)C)cc1 ZINC000462436553 869426276 /nfs/dbraw/zinc/42/62/76/869426276.db2.gz NAVVLUUQDBRCSZ-JOCHJYFZSA-N 2 1 398.551 3.502 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1 ZINC000539658023 869543840 /nfs/dbraw/zinc/54/38/40/869543840.db2.gz KMDHMZOCRBWOGD-JTSKRJEESA-N 2 1 390.535 3.889 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121942169 882326287 /nfs/dbraw/zinc/32/62/87/882326287.db2.gz CGZXOTXPRUHKRS-QGZVFWFLSA-N 2 1 383.540 3.663 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000524878509 869709555 /nfs/dbraw/zinc/70/95/55/869709555.db2.gz GRDBHOZRDYANBQ-HBMCJLEFSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000524878509 869709559 /nfs/dbraw/zinc/70/95/59/869709559.db2.gz GRDBHOZRDYANBQ-HBMCJLEFSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000524878509 869709562 /nfs/dbraw/zinc/70/95/62/869709562.db2.gz GRDBHOZRDYANBQ-HBMCJLEFSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000524957523 869809251 /nfs/dbraw/zinc/80/92/51/869809251.db2.gz WJYIUEOQJQEIRV-UHFFFAOYSA-N 2 1 394.563 3.598 20 0 GHADMP c1cc(C[NH+](C[C@H]2CCOC2)C2CC2)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000121903222 882342084 /nfs/dbraw/zinc/34/20/84/882342084.db2.gz UMXFWRNKLJENQG-SZPZYZBQSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+](C[C@@H]2CCOC2)C2CC2)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000121903222 882342096 /nfs/dbraw/zinc/34/20/96/882342096.db2.gz UMXFWRNKLJENQG-SZPZYZBQSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+](C[C@@H]2CCOC2)C2CC2)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000121903222 882342109 /nfs/dbraw/zinc/34/21/09/882342109.db2.gz UMXFWRNKLJENQG-SZPZYZBQSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+](C[C@@H]2CCOC2)C2CC2)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000121903046 882342433 /nfs/dbraw/zinc/34/24/33/882342433.db2.gz UMXFWRNKLJENQG-VXKWHMMOSA-N 2 1 384.564 3.688 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000539864099 869926985 /nfs/dbraw/zinc/92/69/85/869926985.db2.gz XWHVWJXEEVCYMK-LJQANCHMSA-N 2 1 385.527 3.994 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462741433 869975771 /nfs/dbraw/zinc/97/57/71/869975771.db2.gz UFNNKHFPHHLKJU-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462745231 870012400 /nfs/dbraw/zinc/01/24/00/870012400.db2.gz OTTGGIDGKWPKAO-QFIPXVFZSA-N 2 1 388.600 3.518 20 0 GHADMP C[C@@H](CCNC(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000446565907 870013227 /nfs/dbraw/zinc/01/32/27/870013227.db2.gz QWXAYCLOFFVAID-IBGZPJMESA-N 2 1 382.552 3.823 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000462748555 870015607 /nfs/dbraw/zinc/01/56/07/870015607.db2.gz DAFUQWCXQXCRDR-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000461468015 870251796 /nfs/dbraw/zinc/25/17/96/870251796.db2.gz FXCLGHHSGPZXDV-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000461468015 870251814 /nfs/dbraw/zinc/25/18/14/870251814.db2.gz FXCLGHHSGPZXDV-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461468015 870251831 /nfs/dbraw/zinc/25/18/31/870251831.db2.gz FXCLGHHSGPZXDV-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000461468015 870251850 /nfs/dbraw/zinc/25/18/50/870251850.db2.gz FXCLGHHSGPZXDV-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H](C)c1ccccc1 ZINC000248005461 870260308 /nfs/dbraw/zinc/26/03/08/870260308.db2.gz KURUFSTWMDHXJH-SELNLUPBSA-N 2 1 379.548 3.666 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043229 870291716 /nfs/dbraw/zinc/29/17/16/870291716.db2.gz SBRWQNRADNEVIJ-DXIQSLLYSA-N 2 1 386.584 3.703 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCO2 ZINC000248462749 870440844 /nfs/dbraw/zinc/44/08/44/870440844.db2.gz YMBPVGNTGDTJPY-VXKWHMMOSA-N 2 1 396.531 3.655 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248554883 870490221 /nfs/dbraw/zinc/49/02/21/870490221.db2.gz HUKDCWWDOWNRNU-FTRWYGJKSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248554883 870490227 /nfs/dbraw/zinc/49/02/27/870490227.db2.gz HUKDCWWDOWNRNU-FTRWYGJKSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(Br)cs1 ZINC000248738694 870616239 /nfs/dbraw/zinc/61/62/39/870616239.db2.gz PHMJVXKSTSWADU-APHBMKBZSA-N 2 1 387.387 3.929 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540159231 870620927 /nfs/dbraw/zinc/62/09/27/870620927.db2.gz XDQNNYTVYQVRKW-FDDCHVKYSA-N 2 1 384.520 3.583 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000540159231 870620935 /nfs/dbraw/zinc/62/09/35/870620935.db2.gz XDQNNYTVYQVRKW-FDDCHVKYSA-N 2 1 384.520 3.583 20 0 GHADMP CCCCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000538795733 870621184 /nfs/dbraw/zinc/62/11/84/870621184.db2.gz SHEDMYGEZJOKMR-JAXLGGSGSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000538795733 870621192 /nfs/dbraw/zinc/62/11/92/870621192.db2.gz SHEDMYGEZJOKMR-JAXLGGSGSA-N 2 1 390.568 3.948 20 0 GHADMP Cc1[nH+]ccn1CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428802988 870632278 /nfs/dbraw/zinc/63/22/78/870632278.db2.gz QFONOVIUNBNKER-XMMPIXPASA-N 2 1 389.547 3.753 20 0 GHADMP Cc1[nH+]ccn1CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428802988 870632293 /nfs/dbraw/zinc/63/22/93/870632293.db2.gz QFONOVIUNBNKER-XMMPIXPASA-N 2 1 389.547 3.753 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000540156086 870642849 /nfs/dbraw/zinc/64/28/49/870642849.db2.gz FOJJYNJSBTUVGQ-LPHOPBHVSA-N 2 1 393.453 3.979 20 0 GHADMP Cc1cc(NC(=O)c2sccc2C[NH+](C)C)ccc1OCC[NH+]1CCCC1 ZINC000446920013 870710765 /nfs/dbraw/zinc/71/07/65/870710765.db2.gz XEGSXMGOOFVGAX-UHFFFAOYSA-N 2 1 387.549 3.845 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1)CC(C)C ZINC000540196249 870737286 /nfs/dbraw/zinc/73/72/86/870737286.db2.gz HIXOZQXICNCKJT-LJQANCHMSA-N 2 1 384.572 3.803 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1)CC(C)C ZINC000540196249 870737292 /nfs/dbraw/zinc/73/72/92/870737292.db2.gz HIXOZQXICNCKJT-LJQANCHMSA-N 2 1 384.572 3.803 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000766461821 870784168 /nfs/dbraw/zinc/78/41/68/870784168.db2.gz UMMHEZVFYXORBJ-HXUWFJFHSA-N 2 1 384.520 3.680 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000766461821 870784170 /nfs/dbraw/zinc/78/41/70/870784170.db2.gz UMMHEZVFYXORBJ-HXUWFJFHSA-N 2 1 384.520 3.680 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463072283 870831104 /nfs/dbraw/zinc/83/11/04/870831104.db2.gz DOTHWODFBBIUDM-IBGZPJMESA-N 2 1 375.576 3.933 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C(C)C)cc1Cl ZINC000525516338 870842403 /nfs/dbraw/zinc/84/24/03/870842403.db2.gz LSFJIQKTRMFLBB-MSOLQXFVSA-N 2 1 382.976 3.785 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C(C)C)cc1Cl ZINC000525516338 870842413 /nfs/dbraw/zinc/84/24/13/870842413.db2.gz LSFJIQKTRMFLBB-MSOLQXFVSA-N 2 1 382.976 3.785 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C(C)C)cc1Cl ZINC000525516338 870842424 /nfs/dbraw/zinc/84/24/24/870842424.db2.gz LSFJIQKTRMFLBB-MSOLQXFVSA-N 2 1 382.976 3.785 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000463113699 870914263 /nfs/dbraw/zinc/91/42/63/870914263.db2.gz CBWKDRQPDFXBKW-UHFFFAOYSA-N 2 1 380.532 3.990 20 0 GHADMP C[C@@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538945729 870952054 /nfs/dbraw/zinc/95/20/54/870952054.db2.gz GWJSXOSAZXUWNW-KRWDZBQOSA-N 2 1 391.519 3.768 20 0 GHADMP C[C@H]1C[C@@H](NCC2([NH+]3CCSCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463147298 870975294 /nfs/dbraw/zinc/97/52/94/870975294.db2.gz UZHYYNQFSLPCDT-UNMCSNQZSA-N 2 1 387.637 3.991 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463147298 870975329 /nfs/dbraw/zinc/97/53/29/870975329.db2.gz UZHYYNQFSLPCDT-UNMCSNQZSA-N 2 1 387.637 3.991 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463147298 870975340 /nfs/dbraw/zinc/97/53/40/870975340.db2.gz UZHYYNQFSLPCDT-UNMCSNQZSA-N 2 1 387.637 3.991 20 0 GHADMP Cc1ccc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])c(C[NH+]2CCOCC2)c1 ZINC001169000481 871087779 /nfs/dbraw/zinc/08/77/79/871087779.db2.gz ZXCHGNPGEOINRR-UHFFFAOYSA-N 2 1 398.938 3.711 20 0 GHADMP C[C@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000463191693 871098105 /nfs/dbraw/zinc/09/81/05/871098105.db2.gz NKXBCQQAHLWYCQ-SQJMNOBHSA-N 2 1 377.576 3.946 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463205295 871132485 /nfs/dbraw/zinc/13/24/85/871132485.db2.gz MOFYLOMMGLUPAI-HJNYFJLDSA-N 2 1 379.548 3.917 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463205295 871132491 /nfs/dbraw/zinc/13/24/91/871132491.db2.gz MOFYLOMMGLUPAI-HJNYFJLDSA-N 2 1 379.548 3.917 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039676 871155228 /nfs/dbraw/zinc/15/52/28/871155228.db2.gz YJOQONPFLIQZCM-HYBUGGRVSA-N 3 1 378.564 3.798 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039676 871155235 /nfs/dbraw/zinc/15/52/35/871155235.db2.gz YJOQONPFLIQZCM-HYBUGGRVSA-N 2 1 378.564 3.798 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N2CCOCC2)c1 ZINC000463203215 871177444 /nfs/dbraw/zinc/17/74/44/871177444.db2.gz DMEPPNVUQAUCKH-ZJSXRUAMSA-N 2 1 393.575 3.974 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449082678 871197659 /nfs/dbraw/zinc/19/76/59/871197659.db2.gz OYYJNCRRYQOSQW-GOSISDBHSA-N 2 1 386.561 3.754 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449082678 871197663 /nfs/dbraw/zinc/19/76/63/871197663.db2.gz OYYJNCRRYQOSQW-GOSISDBHSA-N 2 1 386.561 3.754 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3cccc(Cl)c3)CC1)C2 ZINC001169116933 871206965 /nfs/dbraw/zinc/20/69/65/871206965.db2.gz UDIGBZUGMBJNDG-CCQCEHTISA-N 2 1 375.944 3.596 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC001193648666 871215435 /nfs/dbraw/zinc/21/54/35/871215435.db2.gz HSNUSUXUHLANCW-GHTZIAJQSA-N 2 1 390.568 3.869 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC001193648666 871215450 /nfs/dbraw/zinc/21/54/50/871215450.db2.gz HSNUSUXUHLANCW-GHTZIAJQSA-N 2 1 390.568 3.869 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3cc(F)ccc32)c1 ZINC000540416498 871223435 /nfs/dbraw/zinc/22/34/35/871223435.db2.gz QIFFFJDHPCJDGA-QHCPKHFHSA-N 2 1 386.511 3.950 20 0 GHADMP Cc1cccc(C2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC3(CC2)OCCO3)c1 ZINC001169108340 871232918 /nfs/dbraw/zinc/23/29/18/871232918.db2.gz RLTOFSNUMOJNFT-KOUNCHBCSA-N 2 1 384.564 3.765 20 0 GHADMP Cc1cccc(C2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC3(CC2)OCCO3)c1 ZINC001169108339 871233284 /nfs/dbraw/zinc/23/32/84/871233284.db2.gz RLTOFSNUMOJNFT-DKUWSORSSA-N 2 1 384.564 3.765 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@H](C)C1 ZINC000539086350 871235963 /nfs/dbraw/zinc/23/59/63/871235963.db2.gz JPIBFWZHTBREGY-IAGOWNOFSA-N 2 1 394.510 3.701 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn(-c2ccc([C@@H]3CCC[NH2+]C3)cc2)c2ccccc12 ZINC001169112859 871241360 /nfs/dbraw/zinc/24/13/60/871241360.db2.gz MYGXGIBMGPXVHR-HOYKHHGWSA-N 2 1 391.515 3.530 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000091335382 871273586 /nfs/dbraw/zinc/27/35/86/871273586.db2.gz QEPNYCPUOWGWQT-GOTSBHOMSA-N 2 1 379.548 3.871 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)C[C@@H](C)O1 ZINC000539145973 871371317 /nfs/dbraw/zinc/37/13/17/871371317.db2.gz DBSQFRQZRPUQBE-PNCHPQGNSA-N 2 1 390.543 3.793 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462001911 871426946 /nfs/dbraw/zinc/42/69/46/871426946.db2.gz BNRYTISTNQLTJJ-UNMCSNQZSA-N 2 1 388.600 3.803 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3cc(C)cc(C)c3)CC2)cc1 ZINC001194083691 871479323 /nfs/dbraw/zinc/47/93/23/871479323.db2.gz VUZMTJFENDQZLB-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3cc(C)cc(C)c3)CC2)cc1 ZINC001194083691 871479329 /nfs/dbraw/zinc/47/93/29/871479329.db2.gz VUZMTJFENDQZLB-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3cc(C)cc(C)c3)CC2)cc1 ZINC001194083691 871479339 /nfs/dbraw/zinc/47/93/39/871479339.db2.gz VUZMTJFENDQZLB-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3cc(C)cc(C)c3)CC2)cc1 ZINC001194083691 871479344 /nfs/dbraw/zinc/47/93/44/871479344.db2.gz VUZMTJFENDQZLB-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(C)c1I ZINC001205653374 871502271 /nfs/dbraw/zinc/50/22/71/871502271.db2.gz UARACJNHMAWKOK-LRDDRELGSA-N 2 1 386.321 3.715 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cn4ccccc4n3)cc2)C[C@H]1C ZINC000539228008 871542757 /nfs/dbraw/zinc/54/27/57/871542757.db2.gz VFFCZFHGMPVZPQ-BGYRXZFFSA-N 2 1 392.547 3.633 20 0 GHADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821540 871850048 /nfs/dbraw/zinc/85/00/48/871850048.db2.gz WXRATFZFUIOGIV-IBGZPJMESA-N 2 1 386.584 3.800 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC001169781727 871873019 /nfs/dbraw/zinc/87/30/19/871873019.db2.gz URYSQHOCKVOYIU-PMACEKPBSA-N 2 1 397.607 3.939 20 0 GHADMP C[Si](C)(C)CCOCn1ccc2c1nc[nH+]c2NCC12CC[NH+](CC1)CC2 ZINC001169793452 871889590 /nfs/dbraw/zinc/88/95/90/871889590.db2.gz QPHGKJXXURMEBZ-UHFFFAOYSA-N 2 1 387.604 3.641 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1(C)C ZINC000552064141 871966597 /nfs/dbraw/zinc/96/65/97/871966597.db2.gz YVCHUBJYBJACTP-SFHVURJKSA-N 2 1 385.474 3.652 20 0 GHADMP C[N@H+]1CCC[C@H]1CCN[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002826 872098021 /nfs/dbraw/zinc/09/80/21/872098021.db2.gz UKVUHWAQUCSNEL-KMDXXIMOSA-N 2 1 381.539 3.868 20 0 GHADMP C[NH+]1CCC[C@H]1CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002826 872098040 /nfs/dbraw/zinc/09/80/40/872098040.db2.gz UKVUHWAQUCSNEL-KMDXXIMOSA-N 2 1 381.539 3.868 20 0 GHADMP C[NH+]1CCC[C@H]1CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002826 872098060 /nfs/dbraw/zinc/09/80/60/872098060.db2.gz UKVUHWAQUCSNEL-KMDXXIMOSA-N 2 1 381.539 3.868 20 0 GHADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002826 872098082 /nfs/dbraw/zinc/09/80/82/872098082.db2.gz UKVUHWAQUCSNEL-KMDXXIMOSA-N 2 1 381.539 3.868 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002826 872098102 /nfs/dbraw/zinc/09/81/02/872098102.db2.gz UKVUHWAQUCSNEL-KMDXXIMOSA-N 2 1 381.539 3.868 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000775633492 872154761 /nfs/dbraw/zinc/15/47/61/872154761.db2.gz PFZGZKQHXNLDPA-RTBURBONSA-N 2 1 382.495 3.984 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000552228762 872253847 /nfs/dbraw/zinc/25/38/47/872253847.db2.gz VGSWMWUOJGEYOH-ZQHBMWIYSA-N 2 1 385.596 3.663 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1I ZINC000552258262 872310459 /nfs/dbraw/zinc/31/04/59/872310459.db2.gz BBPBVWFZAATGDP-UAGQMJEPSA-N 2 1 384.305 3.562 20 0 GHADMP CC(C)C(CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000447832868 872367390 /nfs/dbraw/zinc/36/73/90/872367390.db2.gz HJOFAKYXEVYOSF-UHFFFAOYSA-N 2 1 394.648 3.752 20 0 GHADMP Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000619180105 872398702 /nfs/dbraw/zinc/39/87/02/872398702.db2.gz FSHLDIXMSRXMDE-GOSISDBHSA-N 2 1 396.535 3.671 20 0 GHADMP CCCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000552392619 872556211 /nfs/dbraw/zinc/55/62/11/872556211.db2.gz WFURGPFXUACTNK-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000552392619 872556221 /nfs/dbraw/zinc/55/62/21/872556221.db2.gz WFURGPFXUACTNK-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)ccc1OC ZINC000552392619 872556239 /nfs/dbraw/zinc/55/62/39/872556239.db2.gz WFURGPFXUACTNK-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)ccc1OC ZINC000552392619 872556255 /nfs/dbraw/zinc/55/62/55/872556255.db2.gz WFURGPFXUACTNK-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2C)cc1 ZINC000541026815 872746902 /nfs/dbraw/zinc/74/69/02/872746902.db2.gz HETPHJWINAOKFL-XMSQKQJNSA-N 2 1 379.504 3.888 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCCC2)CC1 ZINC001196040420 872850687 /nfs/dbraw/zinc/85/06/87/872850687.db2.gz WIDQSMPUJFGDHM-IRLDBZIGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCC2)CC1 ZINC001196040420 872850696 /nfs/dbraw/zinc/85/06/96/872850696.db2.gz WIDQSMPUJFGDHM-IRLDBZIGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCC2)CC1 ZINC001196040420 872850707 /nfs/dbraw/zinc/85/07/07/872850707.db2.gz WIDQSMPUJFGDHM-IRLDBZIGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000527298946 872975915 /nfs/dbraw/zinc/97/59/15/872975915.db2.gz KGYDRBDRACAVTR-FANKGXDISA-N 2 1 392.971 3.943 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000527298946 872975924 /nfs/dbraw/zinc/97/59/24/872975924.db2.gz KGYDRBDRACAVTR-FANKGXDISA-N 2 1 392.971 3.943 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000448212770 873020221 /nfs/dbraw/zinc/02/02/21/873020221.db2.gz JURIXOXPOJHAAY-JOCHJYFZSA-N 2 1 388.600 3.696 20 0 GHADMP C[C@@H](C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000152985308 873045176 /nfs/dbraw/zinc/04/51/76/873045176.db2.gz YNXZFGZPQFQRSE-FPOVZHCZSA-N 2 1 395.551 3.533 20 0 GHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262219160 873057742 /nfs/dbraw/zinc/05/77/42/873057742.db2.gz MOKDERKTHGHINN-HBUWYVDXSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCCn3ccnc3)CC2)C1 ZINC000541183095 873103462 /nfs/dbraw/zinc/10/34/62/873103462.db2.gz NFDKCQAIJWFZIE-LJQANCHMSA-N 2 1 389.588 3.595 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)CC1 ZINC000541201115 873124945 /nfs/dbraw/zinc/12/49/45/873124945.db2.gz ARSHWTQDVUVJNE-GDCKJWNLSA-N 2 1 389.609 3.995 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196457697 873141152 /nfs/dbraw/zinc/14/11/52/873141152.db2.gz DXJKBYRZIYVLLN-ZRBLBEILSA-N 2 1 380.532 3.834 20 0 GHADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000541228346 873160589 /nfs/dbraw/zinc/16/05/89/873160589.db2.gz IUKZRQKSNJJZQV-NRFANRHFSA-N 2 1 383.555 3.896 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000541223010 873182651 /nfs/dbraw/zinc/18/26/51/873182651.db2.gz CYDZDNAHNADJHH-BEFAXECRSA-N 2 1 381.358 3.653 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196782823 873356604 /nfs/dbraw/zinc/35/66/04/873356604.db2.gz VOAPVAJTDJUQEH-YUELXQCFSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001196782823 873356615 /nfs/dbraw/zinc/35/66/15/873356615.db2.gz VOAPVAJTDJUQEH-YUELXQCFSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001196782823 873356625 /nfs/dbraw/zinc/35/66/25/873356625.db2.gz VOAPVAJTDJUQEH-YUELXQCFSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001196782823 873356636 /nfs/dbraw/zinc/35/66/36/873356636.db2.gz VOAPVAJTDJUQEH-YUELXQCFSA-N 2 1 380.414 3.700 20 0 GHADMP COCC[N@H+](Cc1oc2ccccc2c1Br)CC1CC[NH+](C)CC1 ZINC001196781643 873386850 /nfs/dbraw/zinc/38/68/50/873386850.db2.gz DXTYJXYQCAGIAY-UHFFFAOYSA-N 2 1 395.341 3.986 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000541398936 873513323 /nfs/dbraw/zinc/51/33/23/873513323.db2.gz RAADCPYYLGUZBG-GGPKGHCWSA-N 2 1 386.584 3.872 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000541398936 873513333 /nfs/dbraw/zinc/51/33/33/873513333.db2.gz RAADCPYYLGUZBG-GGPKGHCWSA-N 2 1 386.584 3.872 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000527710458 873516169 /nfs/dbraw/zinc/51/61/69/873516169.db2.gz LAVYDOLQGIHEQJ-FYYLOGMGSA-N 2 1 385.596 3.770 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527946256 873791181 /nfs/dbraw/zinc/79/11/81/873791181.db2.gz HFUPLCJZVSYOHD-OXQOHEQNSA-N 2 1 379.570 3.506 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527946256 873791185 /nfs/dbraw/zinc/79/11/85/873791185.db2.gz HFUPLCJZVSYOHD-OXQOHEQNSA-N 2 1 379.570 3.506 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000769689501 874210509 /nfs/dbraw/zinc/21/05/09/874210509.db2.gz RVSMCPCSVXFYNG-MSOLQXFVSA-N 2 1 397.604 3.691 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000541811809 874333838 /nfs/dbraw/zinc/33/38/38/874333838.db2.gz KHYQJOQLYFGMBY-DLBZAZTESA-N 2 1 383.540 3.613 20 0 GHADMP Cc1cccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1F ZINC000449026508 874364081 /nfs/dbraw/zinc/36/40/81/874364081.db2.gz FYNRLOOTILVINP-UHFFFAOYSA-N 2 1 397.538 3.594 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ccc1OCCO ZINC000449083247 874465149 /nfs/dbraw/zinc/46/51/49/874465149.db2.gz BAWVKLCYTWBILG-UHFFFAOYSA-N 2 1 392.584 3.835 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449098958 874471390 /nfs/dbraw/zinc/47/13/90/874471390.db2.gz LMIXJHJZSRZTOY-NRFANRHFSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122333 874504553 /nfs/dbraw/zinc/50/45/53/874504553.db2.gz KYHVQINRPFOJST-RXVVDRJESA-N 2 1 392.609 3.828 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(N3CCC3=O)c2)CC1 ZINC000449302730 874691238 /nfs/dbraw/zinc/69/12/38/874691238.db2.gz KOSLQUDLKOQMQF-LJQANCHMSA-N 2 1 377.532 3.609 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413572 874806097 /nfs/dbraw/zinc/80/60/97/874806097.db2.gz JIGJNVIWCRGRMT-HSZRJFAPSA-N 2 1 391.559 3.908 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001199344132 874915761 /nfs/dbraw/zinc/91/57/61/874915761.db2.gz FWSGPIADXLRAHE-OAHLLOKOSA-N 2 1 397.357 3.965 20 0 GHADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccccc1 ZINC001199350347 874919071 /nfs/dbraw/zinc/91/90/71/874919071.db2.gz XNYDOYKTNLAHBS-HXUWFJFHSA-N 2 1 386.499 3.977 20 0 GHADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001199350347 874919079 /nfs/dbraw/zinc/91/90/79/874919079.db2.gz XNYDOYKTNLAHBS-HXUWFJFHSA-N 2 1 386.499 3.977 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001199329046 874928877 /nfs/dbraw/zinc/92/88/77/874928877.db2.gz MAIJKMCNUGQZBC-SZPZYZBQSA-N 2 1 386.628 3.676 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001199329046 874928887 /nfs/dbraw/zinc/92/88/87/874928887.db2.gz MAIJKMCNUGQZBC-SZPZYZBQSA-N 3 1 386.628 3.676 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001199329046 874928894 /nfs/dbraw/zinc/92/88/94/874928894.db2.gz MAIJKMCNUGQZBC-SZPZYZBQSA-N 3 1 386.628 3.676 20 0 GHADMP CSc1ccccc1C[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000542144007 875018886 /nfs/dbraw/zinc/01/88/86/875018886.db2.gz PSQKCKUONVLDFV-PKOBYXMFSA-N 2 1 389.634 3.979 20 0 GHADMP Brc1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC001199823411 875210880 /nfs/dbraw/zinc/21/08/80/875210880.db2.gz QPXOFGGDQMMKEP-UHFFFAOYSA-N 2 1 377.330 3.838 20 0 GHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)CC1 ZINC000542384428 875480722 /nfs/dbraw/zinc/48/07/22/875480722.db2.gz QDJNYFBNLNQNSS-NHCUHLMSSA-N 2 1 398.595 3.684 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491403029 875671910 /nfs/dbraw/zinc/67/19/10/875671910.db2.gz WFCIGIGMKLORCH-GZOXUSKESA-N 2 1 389.547 3.573 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491403029 875671919 /nfs/dbraw/zinc/67/19/19/875671919.db2.gz WFCIGIGMKLORCH-GZOXUSKESA-N 2 1 389.547 3.573 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000529224605 875859602 /nfs/dbraw/zinc/85/96/02/875859602.db2.gz GPQVNBUHRBTLPG-WYZYGFAWSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560680 912217326 /nfs/dbraw/zinc/21/73/26/912217326.db2.gz MSLDKWVDBPNJKO-ZBQZNYHESA-N 2 1 399.348 3.864 20 0 GHADMP COc1cc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC001201954053 875952294 /nfs/dbraw/zinc/95/22/94/875952294.db2.gz FLINVOGXTBFOFS-QGZVFWFLSA-N 2 1 395.330 3.858 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1=O ZINC001202219077 876062679 /nfs/dbraw/zinc/06/26/79/876062679.db2.gz CTZPYGZDRJCLAU-XMMPIXPASA-N 2 1 375.516 3.540 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC001202219077 876062691 /nfs/dbraw/zinc/06/26/91/876062691.db2.gz CTZPYGZDRJCLAU-XMMPIXPASA-N 2 1 375.516 3.540 20 0 GHADMP CN(C(=O)c1ccc2cnccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000450228465 876092127 /nfs/dbraw/zinc/09/21/27/876092127.db2.gz UNLUPBWRZSHRAC-GOTSBHOMSA-N 2 1 394.563 3.644 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001202405031 876178148 /nfs/dbraw/zinc/17/81/48/876178148.db2.gz NPSMGDOFKHSGBQ-INIZCTEOSA-N 2 1 377.401 3.957 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001202405031 876178156 /nfs/dbraw/zinc/17/81/56/876178156.db2.gz NPSMGDOFKHSGBQ-INIZCTEOSA-N 2 1 377.401 3.957 20 0 GHADMP FC(F)(F)CCC[NH+]1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001202405031 876178161 /nfs/dbraw/zinc/17/81/61/876178161.db2.gz NPSMGDOFKHSGBQ-INIZCTEOSA-N 2 1 377.401 3.957 20 0 GHADMP FC(F)(F)CCC[NH+]1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001202405031 876178167 /nfs/dbraw/zinc/17/81/67/876178167.db2.gz NPSMGDOFKHSGBQ-INIZCTEOSA-N 2 1 377.401 3.957 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)s1 ZINC000858286382 883002082 /nfs/dbraw/zinc/00/20/82/883002082.db2.gz AHGBVJDNKKRCRA-MRXNPFEDSA-N 2 1 387.380 3.904 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173748881 876606656 /nfs/dbraw/zinc/60/66/56/876606656.db2.gz NMRRTMOEGMOXHN-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP FC(F)(F)Cn1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000450637321 876718201 /nfs/dbraw/zinc/71/82/01/876718201.db2.gz ABAZDQVALRGJSR-UHFFFAOYSA-N 2 1 392.469 3.934 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433836 876918089 /nfs/dbraw/zinc/91/80/89/876918089.db2.gz RQGCQBUYRCSAMF-APWZRJJASA-N 2 1 397.485 3.732 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000174289106 876945300 /nfs/dbraw/zinc/94/53/00/876945300.db2.gz ZSOLVCAXQZPJTF-ICSRJNTNSA-N 2 1 394.629 3.939 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000786907286 877020727 /nfs/dbraw/zinc/02/07/27/877020727.db2.gz VSKZEKOWNMTDJV-NNMXDRDESA-N 2 1 392.547 3.777 20 0 GHADMP CC(C)[NH+](Cc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)ccc1F)[C@@H]1CCOC1 ZINC000451046956 877275283 /nfs/dbraw/zinc/27/52/83/877275283.db2.gz AXCLKEGKBQYKQD-LEWJYISDSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)[NH+](Cc1ccc(F)c(C[N@H+](C(C)C)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000451046956 877275301 /nfs/dbraw/zinc/27/53/01/877275301.db2.gz AXCLKEGKBQYKQD-LEWJYISDSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)[NH+](Cc1ccc(F)c(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000451046956 877275321 /nfs/dbraw/zinc/27/53/21/877275321.db2.gz AXCLKEGKBQYKQD-LEWJYISDSA-N 2 1 378.532 3.824 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000174882217 877306108 /nfs/dbraw/zinc/30/61/08/877306108.db2.gz SCFVDBXUULEFOK-UHFFFAOYSA-N 2 1 397.567 3.703 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1)c1ccccc1 ZINC000174891684 877312432 /nfs/dbraw/zinc/31/24/32/877312432.db2.gz JLIGQRSDIBUITL-ZJOUEHCJSA-N 2 1 386.584 3.774 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000174948761 877357455 /nfs/dbraw/zinc/35/74/55/877357455.db2.gz WNVXSWDNEIVIRX-OAQYLSRUSA-N 2 1 393.575 3.946 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000174948761 877357471 /nfs/dbraw/zinc/35/74/71/877357471.db2.gz WNVXSWDNEIVIRX-OAQYLSRUSA-N 2 1 393.575 3.946 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000174948761 877357488 /nfs/dbraw/zinc/35/74/88/877357488.db2.gz WNVXSWDNEIVIRX-OAQYLSRUSA-N 2 1 393.575 3.946 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000079945730 877400660 /nfs/dbraw/zinc/40/06/60/877400660.db2.gz FQFYZWAPXZWNFY-PTUXOGIPSA-N 2 1 379.548 3.849 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000079945730 877400664 /nfs/dbraw/zinc/40/06/64/877400664.db2.gz FQFYZWAPXZWNFY-PTUXOGIPSA-N 2 1 379.548 3.849 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000079945730 877400672 /nfs/dbraw/zinc/40/06/72/877400672.db2.gz FQFYZWAPXZWNFY-PTUXOGIPSA-N 2 1 379.548 3.849 20 0 GHADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000137455011 877546951 /nfs/dbraw/zinc/54/69/51/877546951.db2.gz TXZHZSJFXZNUNY-FQEVSTJZSA-N 2 1 387.568 3.858 20 0 GHADMP c1nn([C@@H]2CC[N@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701415 877669641 /nfs/dbraw/zinc/66/96/41/877669641.db2.gz AIQSJHSIZGUSDD-DHIUTWEWSA-N 2 1 390.531 3.574 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1C ZINC000851797375 877914687 /nfs/dbraw/zinc/91/46/87/877914687.db2.gz PVMFSYXNRTZCBT-XLIONFOSSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1C ZINC000851797375 877914691 /nfs/dbraw/zinc/91/46/91/877914691.db2.gz PVMFSYXNRTZCBT-XLIONFOSSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[NH+]1C ZINC000851797375 877914707 /nfs/dbraw/zinc/91/47/07/877914707.db2.gz PVMFSYXNRTZCBT-XLIONFOSSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[NH+]1C ZINC000851797375 877914709 /nfs/dbraw/zinc/91/47/09/877914709.db2.gz PVMFSYXNRTZCBT-XLIONFOSSA-N 2 1 387.568 3.894 20 0 GHADMP C[N@@H+](C[C@H](O)C1CCCCC1)[C@@H]1CCC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548094 878035234 /nfs/dbraw/zinc/03/52/34/878035234.db2.gz JUSHMTFVIQEJCL-XPWALMASSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548094 878035250 /nfs/dbraw/zinc/03/52/50/878035250.db2.gz JUSHMTFVIQEJCL-XPWALMASSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548094 878035266 /nfs/dbraw/zinc/03/52/66/878035266.db2.gz JUSHMTFVIQEJCL-XPWALMASSA-N 2 1 380.617 3.655 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1c[nH+]ccc1N(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183148968 912308446 /nfs/dbraw/zinc/30/84/46/912308446.db2.gz MXZHVMRXVTVGBH-SFHVURJKSA-N 2 1 398.551 3.828 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000530574215 878092401 /nfs/dbraw/zinc/09/24/01/878092401.db2.gz MRUYVVJAYYFQQM-JOCHJYFZSA-N 2 1 381.520 3.620 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)C1CCCCC1 ZINC000615893885 878231872 /nfs/dbraw/zinc/23/18/72/878231872.db2.gz GSKBGVBSPWVZBW-PKTZIBPZSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000615893885 878231888 /nfs/dbraw/zinc/23/18/88/878231888.db2.gz GSKBGVBSPWVZBW-PKTZIBPZSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000615893885 878231905 /nfs/dbraw/zinc/23/19/05/878231905.db2.gz GSKBGVBSPWVZBW-PKTZIBPZSA-N 2 1 398.595 3.877 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245647650 878273994 /nfs/dbraw/zinc/27/39/94/878273994.db2.gz BVIRASGHYUTBRT-WKCHPHFGSA-N 2 1 396.531 3.868 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245647641 878274493 /nfs/dbraw/zinc/27/44/93/878274493.db2.gz BVIRASGHYUTBRT-MZADTFQBSA-N 2 1 396.531 3.868 20 0 GHADMP C[C@@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788732352 878306740 /nfs/dbraw/zinc/30/67/40/878306740.db2.gz FAXSNOIGIDEJQV-QUCCMNQESA-N 2 1 399.579 3.886 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1)CC1CC1 ZINC000537809057 878323734 /nfs/dbraw/zinc/32/37/34/878323734.db2.gz NFIGYCVEIIOOON-QHCPKHFHSA-N 2 1 398.595 3.717 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1)CC1CC1 ZINC000537809057 878323754 /nfs/dbraw/zinc/32/37/54/878323754.db2.gz NFIGYCVEIIOOON-QHCPKHFHSA-N 2 1 398.595 3.717 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1)CC1CC1 ZINC000537809057 878323772 /nfs/dbraw/zinc/32/37/72/878323772.db2.gz NFIGYCVEIIOOON-QHCPKHFHSA-N 2 1 398.595 3.717 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1)CC1CC1 ZINC000537809057 878323790 /nfs/dbraw/zinc/32/37/90/878323790.db2.gz NFIGYCVEIIOOON-QHCPKHFHSA-N 2 1 398.595 3.717 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000245682619 878367361 /nfs/dbraw/zinc/36/73/61/878367361.db2.gz VQFQKJFXHLRQTD-DHIUTWEWSA-N 2 1 392.547 3.527 20 0 GHADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000530831236 878568384 /nfs/dbraw/zinc/56/83/84/878568384.db2.gz BLOKIZOIEQCDHI-CYBMUJFWSA-N 2 1 393.318 3.882 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000245804783 878612254 /nfs/dbraw/zinc/61/22/54/878612254.db2.gz YJRXLCGYNFZRAY-ZFWWWQNUSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000245804783 878612260 /nfs/dbraw/zinc/61/22/60/878612260.db2.gz YJRXLCGYNFZRAY-ZFWWWQNUSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000245804783 878612270 /nfs/dbraw/zinc/61/22/70/878612270.db2.gz YJRXLCGYNFZRAY-ZFWWWQNUSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000245804783 878612277 /nfs/dbraw/zinc/61/22/77/878612277.db2.gz YJRXLCGYNFZRAY-ZFWWWQNUSA-N 2 1 385.346 3.771 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1)CC(C)C ZINC000537995876 878680728 /nfs/dbraw/zinc/68/07/28/878680728.db2.gz RPXHFTZSOVZCNA-UHFFFAOYSA-N 2 1 380.964 3.754 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1)CC(C)C ZINC000537995876 878680733 /nfs/dbraw/zinc/68/07/33/878680733.db2.gz RPXHFTZSOVZCNA-UHFFFAOYSA-N 2 1 380.964 3.754 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127596063 878811369 /nfs/dbraw/zinc/81/13/69/878811369.db2.gz CZJVKRDCQVIJJN-WEYGHZABSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127596063 878811378 /nfs/dbraw/zinc/81/13/78/878811378.db2.gz CZJVKRDCQVIJJN-WEYGHZABSA-N 2 1 399.966 3.970 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1F ZINC000853120017 878827369 /nfs/dbraw/zinc/82/73/69/878827369.db2.gz DSRSQSRQZAFLLS-GCJKJVERSA-N 2 1 386.486 3.890 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000246288086 879343274 /nfs/dbraw/zinc/34/32/74/879343274.db2.gz CWUZMEBWILVMIX-NJDAHSKKSA-N 2 1 383.580 3.546 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000246288086 879343290 /nfs/dbraw/zinc/34/32/90/879343290.db2.gz CWUZMEBWILVMIX-NJDAHSKKSA-N 2 1 383.580 3.546 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000246288086 879343309 /nfs/dbraw/zinc/34/33/09/879343309.db2.gz CWUZMEBWILVMIX-NJDAHSKKSA-N 2 1 383.580 3.546 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H]2CN(C3CC3)C(=O)O2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045494 879472288 /nfs/dbraw/zinc/47/22/88/879472288.db2.gz ZHIRSAQXWFAUIF-YADHBBJMSA-N 2 1 397.563 3.592 20 0 GHADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCCC1 ZINC000246386097 879495830 /nfs/dbraw/zinc/49/58/30/879495830.db2.gz QUXJLYWEOWDJPU-WSTZPKSXSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000246407578 879523503 /nfs/dbraw/zinc/52/35/03/879523503.db2.gz UNFJIJCHLYGUOJ-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246407578 879523522 /nfs/dbraw/zinc/52/35/22/879523522.db2.gz UNFJIJCHLYGUOJ-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246407578 879523533 /nfs/dbraw/zinc/52/35/33/879523533.db2.gz UNFJIJCHLYGUOJ-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP COc1ccccc1-c1ccnc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000854095653 879524091 /nfs/dbraw/zinc/52/40/91/879524091.db2.gz CIQSMBGJOPGLDT-LJQANCHMSA-N 2 1 380.536 3.816 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000246489095 879614547 /nfs/dbraw/zinc/61/45/47/879614547.db2.gz RLOYLQARMMUYQB-BAGYTPMASA-N 2 1 386.584 3.504 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246562010 879686393 /nfs/dbraw/zinc/68/63/93/879686393.db2.gz ZCLQEJBVTZRDJO-YLJYHZDGSA-N 2 1 392.613 3.695 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246632643 879730761 /nfs/dbraw/zinc/73/07/61/879730761.db2.gz XFNWOAHUWHLJSY-SIKLNZKXSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246632643 879730773 /nfs/dbraw/zinc/73/07/73/879730773.db2.gz XFNWOAHUWHLJSY-SIKLNZKXSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246632643 879730785 /nfs/dbraw/zinc/73/07/85/879730785.db2.gz XFNWOAHUWHLJSY-SIKLNZKXSA-N 2 1 388.600 3.933 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000729595197 879757291 /nfs/dbraw/zinc/75/72/91/879757291.db2.gz ZBYJEEGMHVZHMV-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000493965836 879782606 /nfs/dbraw/zinc/78/26/06/879782606.db2.gz WYMTWMAVJWHNCK-QHCPKHFHSA-N 2 1 379.548 3.982 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCC(C)(C)C ZINC000531429519 879823408 /nfs/dbraw/zinc/82/34/08/879823408.db2.gz HYQJAVVMYAIRTH-UHFFFAOYSA-N 2 1 380.621 3.650 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246865760 879833490 /nfs/dbraw/zinc/83/34/90/879833490.db2.gz PWMNRXQGLMUWLI-ALKREAHSSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246865760 879833504 /nfs/dbraw/zinc/83/35/04/879833504.db2.gz PWMNRXQGLMUWLI-ALKREAHSSA-N 2 1 399.362 3.682 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000247121263 879923423 /nfs/dbraw/zinc/92/34/23/879923423.db2.gz PRNZMHSCZBMRCD-PTUXOGIPSA-N 2 1 379.548 3.801 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000247121263 879923438 /nfs/dbraw/zinc/92/34/38/879923438.db2.gz PRNZMHSCZBMRCD-PTUXOGIPSA-N 2 1 379.548 3.801 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000247307305 879965703 /nfs/dbraw/zinc/96/57/03/879965703.db2.gz JHSVONDRUFFISS-GPUOULLFSA-N 2 1 396.575 3.736 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182729044 880018224 /nfs/dbraw/zinc/01/82/24/880018224.db2.gz VSPDXQWMNLIPPO-SEIRJHJZSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182729044 880018242 /nfs/dbraw/zinc/01/82/42/880018242.db2.gz VSPDXQWMNLIPPO-SEIRJHJZSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182729044 880018258 /nfs/dbraw/zinc/01/82/58/880018258.db2.gz VSPDXQWMNLIPPO-SEIRJHJZSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247550684 880023380 /nfs/dbraw/zinc/02/33/80/880023380.db2.gz PXCNINNMMDYMBR-PZJWPPBQSA-N 2 1 397.538 3.799 20 0 GHADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183156794 880064574 /nfs/dbraw/zinc/06/45/74/880064574.db2.gz UIKQBMWXFJUJDQ-OEMFJLHTSA-N 2 1 380.580 3.860 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1OC ZINC000286001942 912533223 /nfs/dbraw/zinc/53/32/23/912533223.db2.gz ISWVKEKTQDRBGJ-HNNXBMFYSA-N 2 1 380.492 3.622 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183898195 880175782 /nfs/dbraw/zinc/17/57/82/880175782.db2.gz BWUWHNRFJHYODD-KRWDZBQOSA-N 2 1 396.457 3.835 20 0 GHADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677376 880306898 /nfs/dbraw/zinc/30/68/98/880306898.db2.gz LPZYBMRSHKPKGH-XLIONFOSSA-N 2 1 375.557 3.787 20 0 GHADMP CC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184577158 880335270 /nfs/dbraw/zinc/33/52/70/880335270.db2.gz XJBWRKIURXMTQR-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119436 912576672 /nfs/dbraw/zinc/57/66/72/912576672.db2.gz NZZMMDOURXYXLF-UWVAXJGDSA-N 2 1 379.504 3.579 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119436 912576679 /nfs/dbraw/zinc/57/66/79/912576679.db2.gz NZZMMDOURXYXLF-UWVAXJGDSA-N 2 1 379.504 3.579 20 0 GHADMP C[C@H]1CCC[C@@](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)(N(C)C)C1 ZINC000531851517 880605371 /nfs/dbraw/zinc/60/53/71/880605371.db2.gz LZWVNMKHHCDGPV-GBXCKJPGSA-N 2 1 386.628 3.817 20 0 GHADMP Cn1cc(Br)c(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000453303461 880766830 /nfs/dbraw/zinc/76/68/30/880766830.db2.gz CFSVDEXXXJZTKO-UHFFFAOYSA-N 2 1 391.357 3.715 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000531936831 880790784 /nfs/dbraw/zinc/79/07/84/880790784.db2.gz CWTZTQJRERSBAK-HRCADAONSA-N 2 1 381.948 3.776 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000531936831 880790787 /nfs/dbraw/zinc/79/07/87/880790787.db2.gz CWTZTQJRERSBAK-HRCADAONSA-N 2 1 381.948 3.776 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000186269898 880836839 /nfs/dbraw/zinc/83/68/39/880836839.db2.gz ZEIMGDRWXCGPIA-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404700 880870996 /nfs/dbraw/zinc/87/09/96/880870996.db2.gz BNKHDGSMFTZGMP-AWEZNQCLSA-N 2 1 382.346 3.630 20 0 GHADMP C[C@H](c1cccc(Cl)c1F)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000187064168 881062292 /nfs/dbraw/zinc/06/22/92/881062292.db2.gz UZYIFKRMKBDSEG-OAHLLOKOSA-N 2 1 397.966 3.956 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)nc2c1 ZINC000532104943 881152477 /nfs/dbraw/zinc/15/24/77/881152477.db2.gz CVWOGCZDVHGHRH-UHFFFAOYSA-N 2 1 377.536 3.692 20 0 GHADMP Cc1ccc2nc(C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)[nH]c2c1 ZINC000532104943 881152483 /nfs/dbraw/zinc/15/24/83/881152483.db2.gz CVWOGCZDVHGHRH-UHFFFAOYSA-N 2 1 377.536 3.692 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000460527550 883175588 /nfs/dbraw/zinc/17/55/88/883175588.db2.gz NYGONLASAUTTNC-SCTDSRPQSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000460527550 883175592 /nfs/dbraw/zinc/17/55/92/883175592.db2.gz NYGONLASAUTTNC-SCTDSRPQSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000460527550 883175600 /nfs/dbraw/zinc/17/56/00/883175600.db2.gz NYGONLASAUTTNC-SCTDSRPQSA-N 2 1 380.602 3.551 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134973 883190850 /nfs/dbraw/zinc/19/08/50/883190850.db2.gz RUGMDCMQXYTZQT-IRLDBZIGSA-N 3 1 381.564 3.800 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134973 883190854 /nfs/dbraw/zinc/19/08/54/883190854.db2.gz RUGMDCMQXYTZQT-IRLDBZIGSA-N 2 1 381.564 3.800 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694591 883206391 /nfs/dbraw/zinc/20/63/91/883206391.db2.gz OCESKACOIWVAEY-UPVQGACJSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694591 883206409 /nfs/dbraw/zinc/20/64/09/883206409.db2.gz OCESKACOIWVAEY-UPVQGACJSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694591 883206426 /nfs/dbraw/zinc/20/64/26/883206426.db2.gz OCESKACOIWVAEY-UPVQGACJSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694591 883206439 /nfs/dbraw/zinc/20/64/39/883206439.db2.gz OCESKACOIWVAEY-UPVQGACJSA-N 2 1 387.531 3.754 20 0 GHADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(C(=O)OC)cc1 ZINC000551064250 883215803 /nfs/dbraw/zinc/21/58/03/883215803.db2.gz SQKNRSCKQKDGGU-FQEVSTJZSA-N 2 1 382.508 3.590 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000551051976 883219418 /nfs/dbraw/zinc/21/94/18/883219418.db2.gz WMKHMSVCDDCOBH-KTJVCJKDSA-N 2 1 393.575 3.701 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000551051976 883219437 /nfs/dbraw/zinc/21/94/37/883219437.db2.gz WMKHMSVCDDCOBH-KTJVCJKDSA-N 2 1 393.575 3.701 20 0 GHADMP Fc1cc(Cl)cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211910310 883232906 /nfs/dbraw/zinc/23/29/06/883232906.db2.gz BBNZMTGVPZGKHC-SFHVURJKSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1cc(Cl)cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211910310 883232923 /nfs/dbraw/zinc/23/29/23/883232923.db2.gz BBNZMTGVPZGKHC-SFHVURJKSA-N 2 1 398.869 3.718 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123234817 883255812 /nfs/dbraw/zinc/25/58/12/883255812.db2.gz ZDTIODQGSWPJHC-UHFFFAOYSA-N 2 1 381.948 3.649 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000551086933 883263158 /nfs/dbraw/zinc/26/31/58/883263158.db2.gz GQURJNNSMPSCRY-AEFFLSMTSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000551086933 883263173 /nfs/dbraw/zinc/26/31/73/883263173.db2.gz GQURJNNSMPSCRY-AEFFLSMTSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000551177185 883430482 /nfs/dbraw/zinc/43/04/82/883430482.db2.gz SHKZXMPJQSWWNB-RTBURBONSA-N 2 1 391.357 3.851 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCCn2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000551177185 883430486 /nfs/dbraw/zinc/43/04/86/883430486.db2.gz SHKZXMPJQSWWNB-RTBURBONSA-N 2 1 391.357 3.851 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476968670 883494132 /nfs/dbraw/zinc/49/41/32/883494132.db2.gz DEXILZJPIZDYIB-OALUTQOASA-N 2 1 387.568 3.999 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476968670 883494147 /nfs/dbraw/zinc/49/41/47/883494147.db2.gz DEXILZJPIZDYIB-OALUTQOASA-N 2 1 387.568 3.999 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476973545 883508974 /nfs/dbraw/zinc/50/89/74/883508974.db2.gz NRFLVUBLIBMYLF-QGZVFWFLSA-N 2 1 391.522 3.762 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476973545 883508981 /nfs/dbraw/zinc/50/89/81/883508981.db2.gz NRFLVUBLIBMYLF-QGZVFWFLSA-N 2 1 391.522 3.762 20 0 GHADMP CC(C)N1CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCCN(C(C)C)CC2)CC1 ZINC000859117004 883600125 /nfs/dbraw/zinc/60/01/25/883600125.db2.gz DOARIOZJAPNOPD-UHFFFAOYSA-N 2 1 396.740 3.527 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465559234 883608285 /nfs/dbraw/zinc/60/82/85/883608285.db2.gz YKUNWTBDRYLXQZ-FNXHNPQUSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465559234 883608290 /nfs/dbraw/zinc/60/82/90/883608290.db2.gz YKUNWTBDRYLXQZ-FNXHNPQUSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465559234 883608292 /nfs/dbraw/zinc/60/82/92/883608292.db2.gz YKUNWTBDRYLXQZ-FNXHNPQUSA-N 2 1 398.595 3.733 20 0 GHADMP C(CC[NH+]1CCC[C@]2(CCCOC2)C1)CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053450 883617395 /nfs/dbraw/zinc/61/73/95/883617395.db2.gz BAKMLLFQGAVTDN-GOTSBHOMSA-N 2 1 378.601 3.942 20 0 GHADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212100 883664634 /nfs/dbraw/zinc/66/46/34/883664634.db2.gz DZOZBQRBPXCHBA-UHFFFAOYSA-N 2 1 381.520 3.802 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859363370 883776359 /nfs/dbraw/zinc/77/63/59/883776359.db2.gz LTNVQCWIQDQUNZ-HXUWFJFHSA-N 2 1 389.927 3.934 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859363370 883776372 /nfs/dbraw/zinc/77/63/72/883776372.db2.gz LTNVQCWIQDQUNZ-HXUWFJFHSA-N 2 1 389.927 3.934 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859363370 883776376 /nfs/dbraw/zinc/77/63/76/883776376.db2.gz LTNVQCWIQDQUNZ-HXUWFJFHSA-N 2 1 389.927 3.934 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859363370 883776388 /nfs/dbraw/zinc/77/63/88/883776388.db2.gz LTNVQCWIQDQUNZ-HXUWFJFHSA-N 2 1 389.927 3.934 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000194815123 883953062 /nfs/dbraw/zinc/95/30/62/883953062.db2.gz PPPDDFINLDSYIZ-IBGZPJMESA-N 2 1 390.531 3.890 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000194815123 883953075 /nfs/dbraw/zinc/95/30/75/883953075.db2.gz PPPDDFINLDSYIZ-IBGZPJMESA-N 2 1 390.531 3.890 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001183748885 912794348 /nfs/dbraw/zinc/79/43/48/912794348.db2.gz MJOUAMBIEDOOLX-QHCPKHFHSA-N 2 1 395.522 3.523 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001183748885 912794359 /nfs/dbraw/zinc/79/43/59/912794359.db2.gz MJOUAMBIEDOOLX-QHCPKHFHSA-N 2 1 395.522 3.523 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)c1 ZINC000498372708 884199828 /nfs/dbraw/zinc/19/98/28/884199828.db2.gz IJEFOGWXKXVSLP-XZOQPEGZSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000498372708 884199834 /nfs/dbraw/zinc/19/98/34/884199834.db2.gz IJEFOGWXKXVSLP-XZOQPEGZSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000498372708 884199839 /nfs/dbraw/zinc/19/98/39/884199839.db2.gz IJEFOGWXKXVSLP-XZOQPEGZSA-N 2 1 377.532 3.675 20 0 GHADMP CC[C@H]1CCCC[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476291118 884384341 /nfs/dbraw/zinc/38/43/41/884384341.db2.gz VOMOXZBOSLVWER-UNMCSNQZSA-N 2 1 377.617 3.858 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000806157527 884413755 /nfs/dbraw/zinc/41/37/55/884413755.db2.gz GVHRSXCOLSPHGE-OBKDMQGPSA-N 2 1 382.470 3.987 20 0 GHADMP C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495072093 884483373 /nfs/dbraw/zinc/48/33/73/884483373.db2.gz ZXAJDTOHXRUZMT-LADGPHEKSA-N 2 1 399.623 3.769 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)c1 ZINC001126674287 884537954 /nfs/dbraw/zinc/53/79/54/884537954.db2.gz VXOXWZPOWGITNI-XZOQPEGZSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001126674287 884537965 /nfs/dbraw/zinc/53/79/65/884537965.db2.gz VXOXWZPOWGITNI-XZOQPEGZSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001126674287 884537978 /nfs/dbraw/zinc/53/79/78/884537978.db2.gz VXOXWZPOWGITNI-XZOQPEGZSA-N 2 1 383.580 3.730 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001168181397 884641159 /nfs/dbraw/zinc/64/11/59/884641159.db2.gz YUFLTAWQSWNCBX-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001168181397 884641169 /nfs/dbraw/zinc/64/11/69/884641169.db2.gz YUFLTAWQSWNCBX-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001168181397 884641180 /nfs/dbraw/zinc/64/11/80/884641180.db2.gz YUFLTAWQSWNCBX-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@@H](C)C1 ZINC000249463834 912846735 /nfs/dbraw/zinc/84/67/35/912846735.db2.gz RQVOOWSFPSEKTK-RXVVDRJESA-N 2 1 386.536 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@@H](C)C1 ZINC000249463834 912846745 /nfs/dbraw/zinc/84/67/45/912846745.db2.gz RQVOOWSFPSEKTK-RXVVDRJESA-N 2 1 386.536 3.636 20 0 GHADMP Cc1c[nH+]cn1CC(=O)OC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000860554037 884797095 /nfs/dbraw/zinc/79/70/95/884797095.db2.gz NYCBBEGUXJPXJJ-LPHOPBHVSA-N 2 1 395.425 3.837 20 0 GHADMP Cc1c[nH+]cn1CC(=O)OC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000860554037 884797105 /nfs/dbraw/zinc/79/71/05/884797105.db2.gz NYCBBEGUXJPXJJ-LPHOPBHVSA-N 2 1 395.425 3.837 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)CC1 ZINC000556496741 885149352 /nfs/dbraw/zinc/14/93/52/885149352.db2.gz DNSYVLLUWDNKEZ-LOSJGSFVSA-N 2 1 399.623 3.721 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1)c1ccccc1 ZINC000460384819 885199776 /nfs/dbraw/zinc/19/97/76/885199776.db2.gz HBKSUVXCEGFNBD-KNQAVFIVSA-N 2 1 397.588 3.520 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000045790619 885319557 /nfs/dbraw/zinc/31/95/57/885319557.db2.gz GVEBBDDJYPTNEV-FQEVSTJZSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000045790619 885319577 /nfs/dbraw/zinc/31/95/77/885319577.db2.gz GVEBBDDJYPTNEV-FQEVSTJZSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000045790619 885319597 /nfs/dbraw/zinc/31/95/97/885319597.db2.gz GVEBBDDJYPTNEV-FQEVSTJZSA-N 2 1 388.600 3.838 20 0 GHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442297 885450704 /nfs/dbraw/zinc/45/07/04/885450704.db2.gz KSTAJQGUTPYYFM-PXNSSMCTSA-N 2 1 375.557 3.787 20 0 GHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000550621619 885540771 /nfs/dbraw/zinc/54/07/71/885540771.db2.gz MFCFYJYUEIUZMY-VTZPFEBOSA-N 2 1 392.591 3.622 20 0 GHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000550621619 885540792 /nfs/dbraw/zinc/54/07/92/885540792.db2.gz MFCFYJYUEIUZMY-VTZPFEBOSA-N 2 1 392.591 3.622 20 0 GHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCc2sccc2C1 ZINC000532471207 885670642 /nfs/dbraw/zinc/67/06/42/885670642.db2.gz UCKPDAZBCUKJSS-KNKQGSTJSA-N 2 1 383.605 3.995 20 0 GHADMP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495421050 885752336 /nfs/dbraw/zinc/75/23/36/885752336.db2.gz NLQZSRBBHAAZIJ-LGVFNWMJSA-N 2 1 393.575 3.624 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCCc1cccs1 ZINC000495504384 885989015 /nfs/dbraw/zinc/98/90/15/885989015.db2.gz UMSWHZHRALENFS-RBUKOAKNSA-N 2 1 399.604 3.817 20 0 GHADMP O=c1oc2ccccc2n1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762498751 886289741 /nfs/dbraw/zinc/28/97/41/886289741.db2.gz BOOMUQOPVAQZFO-UHFFFAOYSA-N 2 1 377.488 3.540 20 0 GHADMP O=c1oc2ccccc2n1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762498751 886289759 /nfs/dbraw/zinc/28/97/59/886289759.db2.gz BOOMUQOPVAQZFO-UHFFFAOYSA-N 2 1 377.488 3.540 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001170550794 886294696 /nfs/dbraw/zinc/29/46/96/886294696.db2.gz HINZGJQTFOJRJE-HDHSKVTNSA-N 2 1 376.566 3.622 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001170550794 886294710 /nfs/dbraw/zinc/29/47/10/886294710.db2.gz HINZGJQTFOJRJE-HDHSKVTNSA-N 2 1 376.566 3.622 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001170550794 886294723 /nfs/dbraw/zinc/29/47/23/886294723.db2.gz HINZGJQTFOJRJE-HDHSKVTNSA-N 2 1 376.566 3.622 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001168321093 886334663 /nfs/dbraw/zinc/33/46/63/886334663.db2.gz DIJCSKDAVHRAHE-YDPRHXJPSA-N 2 1 387.543 3.513 20 0 GHADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000556868718 886416288 /nfs/dbraw/zinc/41/62/88/886416288.db2.gz BJDNKTXMHPKLON-ROKPMTFOSA-N 2 1 397.563 3.853 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869857 886423672 /nfs/dbraw/zinc/42/36/72/886423672.db2.gz KJGANFLIBQJUCJ-GOTSBHOMSA-N 2 1 379.548 3.933 20 0 GHADMP CN1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556886787 886459639 /nfs/dbraw/zinc/45/96/39/886459639.db2.gz WCGSHFPOZRDGGS-CEDHKZHLSA-N 2 1 379.951 3.934 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001168322943 886487766 /nfs/dbraw/zinc/48/77/66/886487766.db2.gz KCPXAKMSYLXUKZ-LBXVMSDZSA-N 2 1 396.501 3.631 20 0 GHADMP CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCCC3(CC[NH+](C)CC3)C1)n2CC ZINC000808756856 886735204 /nfs/dbraw/zinc/73/52/04/886735204.db2.gz YOXDWXUNVNJFFC-UHFFFAOYSA-N 2 1 398.551 3.541 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000556925969 886769724 /nfs/dbraw/zinc/76/97/24/886769724.db2.gz PWROEFJLWHKWPB-FQEVSTJZSA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000556925969 886769741 /nfs/dbraw/zinc/76/97/41/886769741.db2.gz PWROEFJLWHKWPB-FQEVSTJZSA-N 2 1 389.565 3.751 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc4ccccc4s3)c2)C1 ZINC000132277280 886771092 /nfs/dbraw/zinc/77/10/92/886771092.db2.gz RMJZSGQPTCWXLR-FQEVSTJZSA-N 2 1 393.556 3.888 20 0 GHADMP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000666657007 886845144 /nfs/dbraw/zinc/84/51/44/886845144.db2.gz FDERDCUPWIOWEI-HKUYNNGSSA-N 2 1 376.520 3.615 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001170569249 887036616 /nfs/dbraw/zinc/03/66/16/887036616.db2.gz HTQOVZLJLFXONO-QAPCUYQASA-N 2 1 384.442 3.601 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001184265197 913107541 /nfs/dbraw/zinc/10/75/41/913107541.db2.gz QEOMRRVEQWKZEI-ILRZUTOLSA-N 2 1 394.515 3.856 20 0 GHADMP O[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1c(F)cccc1F ZINC000762925115 887108699 /nfs/dbraw/zinc/10/86/99/887108699.db2.gz BHZHIGSJDWGUMP-NRFANRHFSA-N 2 1 386.486 3.986 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000809606453 887577616 /nfs/dbraw/zinc/57/76/16/887577616.db2.gz SHSTXBXRCPNDFG-IYBDPMFKSA-N 2 1 393.373 3.945 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000809606453 887577628 /nfs/dbraw/zinc/57/76/28/887577628.db2.gz SHSTXBXRCPNDFG-IYBDPMFKSA-N 2 1 393.373 3.945 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000809594894 887602675 /nfs/dbraw/zinc/60/26/75/887602675.db2.gz CJSKZHCKOZDBGI-CTNGQTDRSA-N 2 1 384.593 3.691 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000809594894 887602688 /nfs/dbraw/zinc/60/26/88/887602688.db2.gz CJSKZHCKOZDBGI-CTNGQTDRSA-N 2 1 384.593 3.691 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1)CC1CC1 ZINC000809602405 887613547 /nfs/dbraw/zinc/61/35/47/887613547.db2.gz NWPFBOQDKMKSLM-UHFFFAOYSA-N 2 1 379.570 3.523 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132815019 887703551 /nfs/dbraw/zinc/70/35/51/887703551.db2.gz BLNHLEKTRDJTSH-YJYMSZOUSA-N 2 1 397.332 3.666 20 0 GHADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184401111 913182202 /nfs/dbraw/zinc/18/22/02/913182202.db2.gz HTACKZSCNUQOHV-QGZVFWFLSA-N 2 1 395.894 3.771 20 0 GHADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184401111 913182207 /nfs/dbraw/zinc/18/22/07/913182207.db2.gz HTACKZSCNUQOHV-QGZVFWFLSA-N 2 1 395.894 3.771 20 0 GHADMP C[NH+](C)[C@H](CNc1c[nH+]ccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC001170587034 887827856 /nfs/dbraw/zinc/82/78/56/887827856.db2.gz AFTHBJFCBPIDGW-LJQANCHMSA-N 2 1 395.334 3.940 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404348 913190781 /nfs/dbraw/zinc/19/07/81/913190781.db2.gz GODPDJLVQPXRGY-YFVAEKQCSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404348 913190787 /nfs/dbraw/zinc/19/07/87/913190787.db2.gz GODPDJLVQPXRGY-YFVAEKQCSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404348 913190793 /nfs/dbraw/zinc/19/07/93/913190793.db2.gz GODPDJLVQPXRGY-YFVAEKQCSA-N 2 1 391.987 3.787 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952124 888019448 /nfs/dbraw/zinc/01/94/48/888019448.db2.gz VLNQIRIAQJHJNI-HMXCVIKNSA-N 2 1 393.616 3.981 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952124 888019452 /nfs/dbraw/zinc/01/94/52/888019452.db2.gz VLNQIRIAQJHJNI-HMXCVIKNSA-N 2 1 393.616 3.981 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952124 888019462 /nfs/dbraw/zinc/01/94/62/888019462.db2.gz VLNQIRIAQJHJNI-HMXCVIKNSA-N 2 1 393.616 3.981 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865525245 888409087 /nfs/dbraw/zinc/40/90/87/888409087.db2.gz VBKVFIDBMTVBAM-NRFANRHFSA-N 2 1 379.479 3.620 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000810426824 888493167 /nfs/dbraw/zinc/49/31/67/888493167.db2.gz YAVRXEFGEVUSEY-QMHWCDLVSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000810426824 888493177 /nfs/dbraw/zinc/49/31/77/888493177.db2.gz YAVRXEFGEVUSEY-QMHWCDLVSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000810426824 888493185 /nfs/dbraw/zinc/49/31/85/888493185.db2.gz YAVRXEFGEVUSEY-QMHWCDLVSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCC[NH+](C)C3CC3)cc2)C1 ZINC000454302631 888732885 /nfs/dbraw/zinc/73/28/85/888732885.db2.gz CPTUWGKYEBCFAC-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NCCCC[N@H+](C)C3CC3)cc2)C1 ZINC000454302631 888732897 /nfs/dbraw/zinc/73/28/97/888732897.db2.gz CPTUWGKYEBCFAC-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NCCCC[N@@H+](C)C3CC3)cc2)C1 ZINC000454302631 888732903 /nfs/dbraw/zinc/73/29/03/888732903.db2.gz CPTUWGKYEBCFAC-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000810650041 888746916 /nfs/dbraw/zinc/74/69/16/888746916.db2.gz YXVFGVBYKKYSOR-QMHWCDLVSA-N 2 1 389.559 3.616 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000810650041 888746926 /nfs/dbraw/zinc/74/69/26/888746926.db2.gz YXVFGVBYKKYSOR-QMHWCDLVSA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000747621935 888748166 /nfs/dbraw/zinc/74/81/66/888748166.db2.gz BRJYQLKKQCVJOW-UHFFFAOYSA-N 2 1 397.604 3.503 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000123347442 888841796 /nfs/dbraw/zinc/84/17/96/888841796.db2.gz AWQHVDNFSPBGFA-XMSQKQJNSA-N 2 1 395.551 3.902 20 0 GHADMP c1ccc(C[NH+]2CCC(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000866469470 888895328 /nfs/dbraw/zinc/89/53/28/888895328.db2.gz IOZGQRFORFWQDC-XMMPIXPASA-N 3 1 385.596 3.522 20 0 GHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1cccc(Cl)c1 ZINC000465529283 889251810 /nfs/dbraw/zinc/25/18/10/889251810.db2.gz QPQSIMGBFCOZGA-UXHICEINSA-N 2 1 394.991 3.849 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000465535444 889309933 /nfs/dbraw/zinc/30/99/33/889309933.db2.gz YCNVTQREOQFYAI-OALUTQOASA-N 2 1 380.602 3.647 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000532941678 889343612 /nfs/dbraw/zinc/34/36/12/889343612.db2.gz HHLDUCZRTATACL-NHCUHLMSSA-N 2 1 393.575 3.891 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868187694 889344033 /nfs/dbraw/zinc/34/40/33/889344033.db2.gz KLOCRFKUDKHLCS-FCHUYYIVSA-N 2 1 378.520 3.549 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000868188394 889344256 /nfs/dbraw/zinc/34/42/56/889344256.db2.gz WGCHRXFYSQJWDN-LEWJYISDSA-N 2 1 398.938 3.894 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000868188394 889344267 /nfs/dbraw/zinc/34/42/67/889344267.db2.gz WGCHRXFYSQJWDN-LEWJYISDSA-N 2 1 398.938 3.894 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245735028 889561927 /nfs/dbraw/zinc/56/19/27/889561927.db2.gz QSCYNZHRTUJXHF-BURNTYAHSA-N 2 1 380.511 3.585 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245779656 889705852 /nfs/dbraw/zinc/70/58/52/889705852.db2.gz YQAUFDGJMGOQII-JOZNFPNDSA-N 2 1 391.559 3.716 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000533080556 889707880 /nfs/dbraw/zinc/70/78/80/889707880.db2.gz KDJWEFOYDJZDKL-YFNKSVMNSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000533080556 889707888 /nfs/dbraw/zinc/70/78/88/889707888.db2.gz KDJWEFOYDJZDKL-YFNKSVMNSA-N 2 1 380.532 3.949 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccs1 ZINC000125017671 889848344 /nfs/dbraw/zinc/84/83/44/889848344.db2.gz BRKOGZLBDLJCHC-IBGZPJMESA-N 2 1 387.549 3.650 20 0 GHADMP CC(C)(CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000064644458 890019519 /nfs/dbraw/zinc/01/95/19/890019519.db2.gz QJQSMCYHJXGIDG-SFHVURJKSA-N 2 1 392.613 3.524 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)cs1 ZINC000245940845 890049200 /nfs/dbraw/zinc/04/92/00/890049200.db2.gz UWKGULCIIMUPGG-MISYRCLQSA-N 2 1 377.598 3.711 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1)C1CC1 ZINC000126475319 890552685 /nfs/dbraw/zinc/55/26/85/890552685.db2.gz NYKRBPDSRNCKCL-OFNKIYASSA-N 2 1 381.564 3.760 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1)C1CC1 ZINC000126475319 890552697 /nfs/dbraw/zinc/55/26/97/890552697.db2.gz NYKRBPDSRNCKCL-OFNKIYASSA-N 2 1 381.564 3.760 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1)C1CC1 ZINC000126475319 890552705 /nfs/dbraw/zinc/55/27/05/890552705.db2.gz NYKRBPDSRNCKCL-OFNKIYASSA-N 2 1 381.564 3.760 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CCCO2 ZINC000126703519 890657259 /nfs/dbraw/zinc/65/72/59/890657259.db2.gz MILSDHMSWWQHIP-HSZRJFAPSA-N 2 1 379.548 3.746 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)cc2)CC1 ZINC000126713842 890661410 /nfs/dbraw/zinc/66/14/10/890661410.db2.gz CEYPKBRQBZXXHE-HSZRJFAPSA-N 2 1 391.559 3.970 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cnc2ccsc2c1 ZINC000126725559 890665816 /nfs/dbraw/zinc/66/58/16/890665816.db2.gz BJHKAWSGHLZBEM-QGZVFWFLSA-N 2 1 380.561 3.895 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)ON=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1C ZINC000871785243 891011432 /nfs/dbraw/zinc/01/14/32/891011432.db2.gz GXQATYUAOQTUPA-CCNLRDMRSA-N 2 1 383.496 3.786 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)cc1C ZINC000871785243 891011441 /nfs/dbraw/zinc/01/14/41/891011441.db2.gz GXQATYUAOQTUPA-CCNLRDMRSA-N 2 1 383.496 3.786 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1C ZINC000871785243 891011456 /nfs/dbraw/zinc/01/14/56/891011456.db2.gz GXQATYUAOQTUPA-CCNLRDMRSA-N 2 1 383.496 3.786 20 0 GHADMP Brc1cccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@@H]2CCOC2)c1 ZINC000872019870 891118030 /nfs/dbraw/zinc/11/80/30/891118030.db2.gz ATMCQANLJDKVFH-OGWOLHLISA-N 2 1 379.342 3.601 20 0 GHADMP Brc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]2CCOC2)c1 ZINC000872025265 891122954 /nfs/dbraw/zinc/12/29/54/891122954.db2.gz JMZDZRYCLBKGNU-NQYYFHDYSA-N 2 1 379.342 3.743 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000872119534 891164440 /nfs/dbraw/zinc/16/44/40/891164440.db2.gz SKIJNSSJHYGLEW-JLYLLQBASA-N 2 1 384.630 3.611 20 0 GHADMP COc1cc(C)ccc1-c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872182412 891204291 /nfs/dbraw/zinc/20/42/91/891204291.db2.gz XLCODQCAVGAEMT-UHFFFAOYSA-N 2 1 392.503 3.590 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001137068476 891473782 /nfs/dbraw/zinc/47/37/82/891473782.db2.gz GDEPAFUKHCVROH-NQIIRXRSSA-N 2 1 381.520 3.516 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325421 891487600 /nfs/dbraw/zinc/48/76/00/891487600.db2.gz DKZFTTYBZIFYRK-ICSRJNTNSA-N 2 1 375.557 3.964 20 0 GHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128243872 891500895 /nfs/dbraw/zinc/50/08/95/891500895.db2.gz BEZFFIBZPYJYOY-INIZCTEOSA-N 2 1 390.572 3.936 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000393311555 891542923 /nfs/dbraw/zinc/54/29/23/891542923.db2.gz JVBSRTDRNGZISU-APWZRJJASA-N 2 1 375.310 3.502 20 0 GHADMP Fc1cc(OC(F)F)ccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873253406 891551323 /nfs/dbraw/zinc/55/13/23/891551323.db2.gz XELUSUJFUFXNIA-PXNSSMCTSA-N 2 1 378.394 3.773 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000161639659 891767637 /nfs/dbraw/zinc/76/76/37/891767637.db2.gz VDSDIFWFKZAAMG-YADHBBJMSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2cccc(Br)c21 ZINC000128516399 892053766 /nfs/dbraw/zinc/05/37/66/892053766.db2.gz YNQOSRSXZVOUND-CRAIPNDOSA-N 2 1 380.374 3.615 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262462472 892282029 /nfs/dbraw/zinc/28/20/29/892282029.db2.gz VZBSRZBPWJBLQG-JECZMYCTSA-N 2 1 381.923 3.507 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262462472 892282046 /nfs/dbraw/zinc/28/20/46/892282046.db2.gz VZBSRZBPWJBLQG-JECZMYCTSA-N 2 1 381.923 3.507 20 0 GHADMP C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000262662109 892391759 /nfs/dbraw/zinc/39/17/59/892391759.db2.gz YQLYPGXSBIYBPW-LYHQQNOOSA-N 2 1 379.548 3.595 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262664057 892436532 /nfs/dbraw/zinc/43/65/32/892436532.db2.gz HYRGBVGUZUYFPJ-PWHSHALESA-N 2 1 379.548 3.871 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497826061 892482241 /nfs/dbraw/zinc/48/22/41/892482241.db2.gz LXFBVFYTEZIIHN-DEOSSOPVSA-N 2 1 392.547 3.780 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714122 892791853 /nfs/dbraw/zinc/79/18/53/892791853.db2.gz URPJXNBCPNWONB-PXDATVDWSA-N 3 1 393.575 3.519 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997267 892898560 /nfs/dbraw/zinc/89/85/60/892898560.db2.gz NQGOFHIIPBJETC-MOPGFXCFSA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997267 892898584 /nfs/dbraw/zinc/89/85/84/892898584.db2.gz NQGOFHIIPBJETC-MOPGFXCFSA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000497997267 892898598 /nfs/dbraw/zinc/89/85/98/892898598.db2.gz NQGOFHIIPBJETC-MOPGFXCFSA-N 2 1 397.485 3.660 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)[C@H]1CC[N@@H+](C)C1 ZINC000645154166 913713043 /nfs/dbraw/zinc/71/30/43/913713043.db2.gz VFXAKKXPCNFYTR-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](C)C1 ZINC000645154166 913713055 /nfs/dbraw/zinc/71/30/55/913713055.db2.gz VFXAKKXPCNFYTR-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](C)C1 ZINC000645154166 913713060 /nfs/dbraw/zinc/71/30/60/913713060.db2.gz VFXAKKXPCNFYTR-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722371 892976505 /nfs/dbraw/zinc/97/65/05/892976505.db2.gz XLPYRLIEADOOSZ-SJLPKXTDSA-N 2 1 393.453 3.979 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000876908917 893382891 /nfs/dbraw/zinc/38/28/91/893382891.db2.gz SHROOJPOABFGRP-IMFGXOCKSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccnc(Br)c1 ZINC000815078968 893424279 /nfs/dbraw/zinc/42/42/79/893424279.db2.gz LNZUSQNQLJHNLX-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H](CCO)c2ccccc2)CC1 ZINC000536670898 893503826 /nfs/dbraw/zinc/50/38/26/893503826.db2.gz QTNPCUULEGUANO-HSZRJFAPSA-N 2 1 381.564 3.774 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143637 893515592 /nfs/dbraw/zinc/51/55/92/893515592.db2.gz MWFKHCXNKFEYAP-HYBUGGRVSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143637 893515609 /nfs/dbraw/zinc/51/56/09/893515609.db2.gz MWFKHCXNKFEYAP-HYBUGGRVSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143637 893515628 /nfs/dbraw/zinc/51/56/28/893515628.db2.gz MWFKHCXNKFEYAP-HYBUGGRVSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143637 893515647 /nfs/dbraw/zinc/51/56/47/893515647.db2.gz MWFKHCXNKFEYAP-HYBUGGRVSA-N 2 1 396.531 3.636 20 0 GHADMP Cc1nc(F)ccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000815149288 893521933 /nfs/dbraw/zinc/52/19/33/893521933.db2.gz HLZGGABEYDXPJQ-OAQYLSRUSA-N 2 1 383.511 3.548 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000556058441 893579232 /nfs/dbraw/zinc/57/92/32/893579232.db2.gz IUXGQSFRUVOCAO-HNNXBMFYSA-N 2 1 386.403 3.505 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000536708488 893610779 /nfs/dbraw/zinc/61/07/79/893610779.db2.gz FEQPEZQFVMADIH-UHFFFAOYSA-N 2 1 384.948 3.680 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(OC(F)F)cc1C ZINC000536709240 893615685 /nfs/dbraw/zinc/61/56/85/893615685.db2.gz DJFPPTPEXNPEDU-LJQANCHMSA-N 2 1 381.511 3.505 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000563417531 893712491 /nfs/dbraw/zinc/71/24/91/893712491.db2.gz MSBZPMLLYPETRV-DENIHFKCSA-N 2 1 395.547 3.670 20 0 GHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224016 893866349 /nfs/dbraw/zinc/86/63/49/893866349.db2.gz SOOYVDVLWLSPNX-ZWKOTPCHSA-N 2 1 375.557 3.742 20 0 GHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)C1 ZINC000459599191 893882970 /nfs/dbraw/zinc/88/29/70/893882970.db2.gz XRXHAIXUWXBYAN-QHCPKHFHSA-N 2 1 379.552 3.978 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)C1 ZINC000459599191 893882988 /nfs/dbraw/zinc/88/29/88/893882988.db2.gz XRXHAIXUWXBYAN-QHCPKHFHSA-N 2 1 379.552 3.978 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)C1 ZINC000459599191 893883010 /nfs/dbraw/zinc/88/30/10/893883010.db2.gz XRXHAIXUWXBYAN-QHCPKHFHSA-N 2 1 379.552 3.978 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)C1 ZINC000459599191 893883032 /nfs/dbraw/zinc/88/30/32/893883032.db2.gz XRXHAIXUWXBYAN-QHCPKHFHSA-N 2 1 379.552 3.978 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[C@@H]1CC[N@H+](C)C1 ZINC000645318949 913823419 /nfs/dbraw/zinc/82/34/19/913823419.db2.gz YPQZJPVBYFMNNU-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[C@@H]1CC[N@@H+](C)C1 ZINC000645318949 913823433 /nfs/dbraw/zinc/82/34/33/913823433.db2.gz YPQZJPVBYFMNNU-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CC[NH+](C)C1 ZINC000645318949 913823445 /nfs/dbraw/zinc/82/34/45/913823445.db2.gz YPQZJPVBYFMNNU-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CC[NH+](C)C1 ZINC000645318949 913823456 /nfs/dbraw/zinc/82/34/56/913823456.db2.gz YPQZJPVBYFMNNU-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000536875792 893987224 /nfs/dbraw/zinc/98/72/24/893987224.db2.gz IGYLLCQEKYRQNQ-VQIMIIECSA-N 2 1 399.373 3.555 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000536910144 894091495 /nfs/dbraw/zinc/09/14/95/894091495.db2.gz OYGIZJVPONPWBF-INIZCTEOSA-N 2 1 383.458 3.663 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459731192 894119994 /nfs/dbraw/zinc/11/99/94/894119994.db2.gz KUXJMSAMNMENET-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(-c2ccsc2)n1 ZINC000563877564 894289540 /nfs/dbraw/zinc/28/95/40/894289540.db2.gz GMBQQUAKHJJZML-GOSISDBHSA-N 2 1 378.611 3.720 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1Cl ZINC001135461638 894631002 /nfs/dbraw/zinc/63/10/02/894631002.db2.gz MDGSECAQBBOPHY-WOJBJXKFSA-N 2 1 377.960 3.856 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1Cl ZINC001135461638 894631006 /nfs/dbraw/zinc/63/10/06/894631006.db2.gz MDGSECAQBBOPHY-WOJBJXKFSA-N 2 1 377.960 3.856 20 0 GHADMP CC(C)(C)OC(=O)NCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000816619800 894979084 /nfs/dbraw/zinc/97/90/84/894979084.db2.gz WCORAUVRRMOXEH-UHFFFAOYSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000645493393 913932679 /nfs/dbraw/zinc/93/26/79/913932679.db2.gz ZLKVNDJBJQZFMZ-REWPJTCUSA-N 2 1 386.580 3.710 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879614968 895178074 /nfs/dbraw/zinc/17/80/74/895178074.db2.gz CZTPJCOFHZJUGZ-QGZVFWFLSA-N 2 1 379.614 3.684 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879614968 895178082 /nfs/dbraw/zinc/17/80/82/895178082.db2.gz CZTPJCOFHZJUGZ-QGZVFWFLSA-N 2 1 379.614 3.684 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000564853604 895284121 /nfs/dbraw/zinc/28/41/21/895284121.db2.gz FDHWIPCUPXMNBS-OTUUDDROSA-N 2 1 382.548 3.534 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000565037272 895362063 /nfs/dbraw/zinc/36/20/63/895362063.db2.gz JJJTZBPIDAUEMH-GOSISDBHSA-N 2 1 386.565 3.629 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000817285591 895439174 /nfs/dbraw/zinc/43/91/74/895439174.db2.gz MHLOXILXDJSLMC-UHFFFAOYSA-N 2 1 383.552 3.993 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001137149674 895529133 /nfs/dbraw/zinc/52/91/33/895529133.db2.gz DGJQMRGHZDZUOF-JOCHJYFZSA-N 2 1 389.559 3.664 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001137149674 895529137 /nfs/dbraw/zinc/52/91/37/895529137.db2.gz DGJQMRGHZDZUOF-JOCHJYFZSA-N 2 1 389.559 3.664 20 0 GHADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132891 895532318 /nfs/dbraw/zinc/53/23/18/895532318.db2.gz GYSHXFCEYQWYEZ-NNMXDRDESA-N 2 1 383.561 3.512 20 0 GHADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000880132891 895532328 /nfs/dbraw/zinc/53/23/28/895532328.db2.gz GYSHXFCEYQWYEZ-NNMXDRDESA-N 2 1 383.561 3.512 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000565336569 895544788 /nfs/dbraw/zinc/54/47/88/895544788.db2.gz MLEZBGBYIYJBNB-KRWDZBQOSA-N 2 1 394.991 3.724 20 0 GHADMP CCN(C(=O)NCc1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000565349363 895556258 /nfs/dbraw/zinc/55/62/58/895556258.db2.gz NHUXBBFKDKVGRV-PGRDOPGGSA-N 2 1 391.519 3.701 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(c1ccccc1)c1ccccc1 ZINC000565363099 895567187 /nfs/dbraw/zinc/56/71/87/895567187.db2.gz DSBNWARYEOTYDG-GOTSBHOMSA-N 2 1 391.559 3.604 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000565491710 895672720 /nfs/dbraw/zinc/67/27/20/895672720.db2.gz MRUUFRZHUTVWNU-RTWAWAEBSA-N 2 1 377.617 3.856 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000565736669 895842163 /nfs/dbraw/zinc/84/21/63/895842163.db2.gz IGDXKFULSMXSON-UHFFFAOYSA-N 2 1 385.842 3.567 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1)C[C@@H]1CCCCO1 ZINC000565959187 896010694 /nfs/dbraw/zinc/01/06/94/896010694.db2.gz KULRJKHZRMTVHE-UGKGYDQZSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1)C[C@@H]1CCCCO1 ZINC000565959187 896010704 /nfs/dbraw/zinc/01/07/04/896010704.db2.gz KULRJKHZRMTVHE-UGKGYDQZSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000566089347 896099951 /nfs/dbraw/zinc/09/99/51/896099951.db2.gz AVNABZNJQUFMHJ-LRDDRELGSA-N 2 1 386.849 3.714 20 0 GHADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000566246604 896196212 /nfs/dbraw/zinc/19/62/12/896196212.db2.gz XGPVRBOFAPNQHP-UHFFFAOYSA-N 2 1 390.325 3.629 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000818980605 896299643 /nfs/dbraw/zinc/29/96/43/896299643.db2.gz MOWNHQYQGINGIK-GUYCJALGSA-N 2 1 389.765 3.632 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c1 ZINC000818971010 896331044 /nfs/dbraw/zinc/33/10/44/896331044.db2.gz ROPLWYKDKRLVPM-LJQANCHMSA-N 2 1 395.316 3.863 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564829 896381282 /nfs/dbraw/zinc/38/12/82/896381282.db2.gz XAJKCMYSJGCVSH-LJQANCHMSA-N 2 1 385.577 3.863 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564829 896381300 /nfs/dbraw/zinc/38/13/00/896381300.db2.gz XAJKCMYSJGCVSH-LJQANCHMSA-N 2 1 385.577 3.863 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564829 896381313 /nfs/dbraw/zinc/38/13/13/896381313.db2.gz XAJKCMYSJGCVSH-LJQANCHMSA-N 2 1 385.577 3.863 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000819137374 896393990 /nfs/dbraw/zinc/39/39/90/896393990.db2.gz BRRVJDHMMOVQOF-UGKGYDQZSA-N 2 1 394.563 3.724 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000819137374 896394007 /nfs/dbraw/zinc/39/40/07/896394007.db2.gz BRRVJDHMMOVQOF-UGKGYDQZSA-N 2 1 394.563 3.724 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000819443978 896676440 /nfs/dbraw/zinc/67/64/40/896676440.db2.gz CVKFCGAUWLSMNO-NRFANRHFSA-N 2 1 389.490 3.888 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4cccnc42)CC3)cn1 ZINC001137175339 896712720 /nfs/dbraw/zinc/71/27/20/896712720.db2.gz VFIHPLKOPHIFIY-UHFFFAOYSA-N 2 1 375.520 3.599 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4cccnc42)CC3)cn1 ZINC001137175339 896712727 /nfs/dbraw/zinc/71/27/27/896712727.db2.gz VFIHPLKOPHIFIY-UHFFFAOYSA-N 2 1 375.520 3.599 20 0 GHADMP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000567046673 896828305 /nfs/dbraw/zinc/82/83/05/896828305.db2.gz NRFCOGGPAIELEY-IOFRSVQKSA-N 2 1 395.950 3.614 20 0 GHADMP CC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000882508205 896834486 /nfs/dbraw/zinc/83/44/86/896834486.db2.gz WWHMCRZTXCRGIT-IBGZPJMESA-N 2 1 384.568 3.580 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567470605 897185094 /nfs/dbraw/zinc/18/50/94/897185094.db2.gz HWQVSUZFDCTKMT-NRFANRHFSA-N 2 1 385.596 3.663 20 0 GHADMP Brc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000567504973 897209043 /nfs/dbraw/zinc/20/90/43/897209043.db2.gz IDAVQTJFZHKVHM-CVEARBPZSA-N 2 1 390.325 3.926 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000567581715 897269987 /nfs/dbraw/zinc/26/99/87/897269987.db2.gz NCNCHTDTTYVXKH-KSNOWIBYSA-N 2 1 394.559 3.536 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001136354114 897406960 /nfs/dbraw/zinc/40/69/60/897406960.db2.gz DXEQQAVRSBZDEZ-QFIPXVFZSA-N 2 1 375.601 3.898 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001136354114 897406968 /nfs/dbraw/zinc/40/69/68/897406968.db2.gz DXEQQAVRSBZDEZ-QFIPXVFZSA-N 2 1 375.601 3.898 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001136354114 897406975 /nfs/dbraw/zinc/40/69/75/897406975.db2.gz DXEQQAVRSBZDEZ-QFIPXVFZSA-N 2 1 375.601 3.898 20 0 GHADMP COc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000820810290 897540066 /nfs/dbraw/zinc/54/00/66/897540066.db2.gz UDQHGCADZSHXTH-IFBIMPTNSA-N 2 1 380.532 3.904 20 0 GHADMP CC(CN1CC[NH+](C)C2(CCCCC2)C1)CN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000568177244 897656037 /nfs/dbraw/zinc/65/60/37/897656037.db2.gz QHYSSZLUHJPIRU-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000568201600 897669452 /nfs/dbraw/zinc/66/94/52/897669452.db2.gz UHNARLZGNKCHEZ-PZJWPPBQSA-N 2 1 385.577 3.665 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CC(F)F)c3ccccc3)CC2)CC1 ZINC000568778187 898095181 /nfs/dbraw/zinc/09/51/81/898095181.db2.gz CPXLYWJLQNVDRG-HXUWFJFHSA-N 2 1 393.522 3.695 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc2sc(C)cc12 ZINC001136541528 898213900 /nfs/dbraw/zinc/21/39/00/898213900.db2.gz FCALGUVXKMRWFI-QGZVFWFLSA-N 2 1 393.622 3.688 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000569101379 898340904 /nfs/dbraw/zinc/34/09/04/898340904.db2.gz NJDTUGSBFFLOKL-AVRDEDQJSA-N 2 1 380.536 3.512 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001136608959 898525357 /nfs/dbraw/zinc/52/53/57/898525357.db2.gz SQGXSYNMPUXHOC-JOCHJYFZSA-N 2 1 385.596 3.664 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001136608959 898525361 /nfs/dbraw/zinc/52/53/61/898525361.db2.gz SQGXSYNMPUXHOC-JOCHJYFZSA-N 2 1 385.596 3.664 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001136608959 898525372 /nfs/dbraw/zinc/52/53/72/898525372.db2.gz SQGXSYNMPUXHOC-JOCHJYFZSA-N 2 1 385.596 3.664 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(-c2noc(CC[C@H]([NH3+])CC3CCCCC3)n2)cn1 ZINC000822785421 898624372 /nfs/dbraw/zinc/62/43/72/898624372.db2.gz PKQPXEIXAGKIAI-SFHVURJKSA-N 2 1 380.496 3.856 20 0 GHADMP CCN(CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)Cc1ccccc1Cl ZINC000569465174 898688685 /nfs/dbraw/zinc/68/86/85/898688685.db2.gz CREXMVDGPYZSRF-UHFFFAOYSA-N 2 1 379.976 3.741 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000646136196 914279218 /nfs/dbraw/zinc/27/92/18/914279218.db2.gz AFSBITBCJLJNIK-GCJKJVERSA-N 2 1 381.520 3.826 20 0 GHADMP C[NH+]1CCC(CCO)(NCc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000569825213 898968934 /nfs/dbraw/zinc/96/89/34/898968934.db2.gz NPNBMBKMKGIWHE-UHFFFAOYSA-N 2 1 388.939 3.855 20 0 GHADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000569825213 898968944 /nfs/dbraw/zinc/96/89/44/898968944.db2.gz NPNBMBKMKGIWHE-UHFFFAOYSA-N 2 1 388.939 3.855 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476914 899050585 /nfs/dbraw/zinc/05/05/85/899050585.db2.gz CZDSRPRZOHAFMF-RLLQIKCJSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476914 899050602 /nfs/dbraw/zinc/05/06/02/899050602.db2.gz CZDSRPRZOHAFMF-RLLQIKCJSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476914 899050617 /nfs/dbraw/zinc/05/06/17/899050617.db2.gz CZDSRPRZOHAFMF-RLLQIKCJSA-N 2 1 379.589 3.686 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000823737013 899211347 /nfs/dbraw/zinc/21/13/47/899211347.db2.gz RDBGQKMEYWJVCE-HFMPRLQTSA-N 2 1 399.579 3.745 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCC[C@@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365599 899284119 /nfs/dbraw/zinc/28/41/19/899284119.db2.gz MUUMUPIFEGUFKN-KNQAVFIVSA-N 2 1 382.508 3.647 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365599 899284132 /nfs/dbraw/zinc/28/41/32/899284132.db2.gz MUUMUPIFEGUFKN-KNQAVFIVSA-N 2 1 382.508 3.647 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365599 899284146 /nfs/dbraw/zinc/28/41/46/899284146.db2.gz MUUMUPIFEGUFKN-KNQAVFIVSA-N 2 1 382.508 3.647 20 0 GHADMP C[NH2+]CCOc1cccc(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000884193799 899308121 /nfs/dbraw/zinc/30/81/21/899308121.db2.gz PRKBHOZVQZSCFA-UHFFFAOYSA-N 2 1 392.503 3.905 20 0 GHADMP Clc1cccc2c1CC[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCC4)n3CC1)C2 ZINC001171041509 899352646 /nfs/dbraw/zinc/35/26/46/899352646.db2.gz ACLKGIKNOWNNCY-SFHVURJKSA-N 2 1 384.955 3.548 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000570592526 899418227 /nfs/dbraw/zinc/41/82/27/899418227.db2.gz ONNNPCKHNWGRRD-MRXNPFEDSA-N 2 1 380.458 3.631 20 0 GHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000156193894 899515038 /nfs/dbraw/zinc/51/50/38/899515038.db2.gz NAJZITIFYWIAGA-SJORKVTESA-N 2 1 388.943 3.952 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCSc4ccccc43)CC2)CC1 ZINC000570825893 899620671 /nfs/dbraw/zinc/62/06/71/899620671.db2.gz YZHJNOOIDMDEJC-UHFFFAOYSA-N 2 1 387.593 3.712 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000571109636 899743104 /nfs/dbraw/zinc/74/31/04/899743104.db2.gz JYPZNGZPQBDRJP-UIFIKXQLSA-N 2 1 378.582 3.506 20 0 GHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646277651 914377415 /nfs/dbraw/zinc/37/74/15/914377415.db2.gz XYLMIWFHGQFEBM-ZTFGCOKTSA-N 2 1 383.939 3.612 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136928682 899785749 /nfs/dbraw/zinc/78/57/49/899785749.db2.gz WSKXWWNICCXEFU-OAQYLSRUSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136928682 899785761 /nfs/dbraw/zinc/78/57/61/899785761.db2.gz WSKXWWNICCXEFU-OAQYLSRUSA-N 2 1 385.939 3.991 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cs2)cc1 ZINC000571646220 899934485 /nfs/dbraw/zinc/93/44/85/899934485.db2.gz OLKJGFAKDQFCQH-YLJYHZDGSA-N 2 1 386.565 3.913 20 0 GHADMP C[C@@H](C[C@H](O)c1cccs1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121171451 899971569 /nfs/dbraw/zinc/97/15/69/899971569.db2.gz KFAGSDVTAVHILA-JXFKEZNVSA-N 2 1 376.541 3.996 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000572186150 900094866 /nfs/dbraw/zinc/09/48/66/900094866.db2.gz OWONPUXQZOQFGM-ACBHZAAOSA-N 2 1 397.485 3.573 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc2c1COC2 ZINC001137024002 900111638 /nfs/dbraw/zinc/11/16/38/900111638.db2.gz NADSZNOHNMQEFP-DQEYMECFSA-N 2 1 396.575 3.677 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc2c1COC2 ZINC001137024002 900111642 /nfs/dbraw/zinc/11/16/42/900111642.db2.gz NADSZNOHNMQEFP-DQEYMECFSA-N 2 1 396.575 3.677 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc2c1COC2 ZINC001137024002 900111644 /nfs/dbraw/zinc/11/16/44/900111644.db2.gz NADSZNOHNMQEFP-DQEYMECFSA-N 2 1 396.575 3.677 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc2c1COC2 ZINC001137024002 900111648 /nfs/dbraw/zinc/11/16/48/900111648.db2.gz NADSZNOHNMQEFP-DQEYMECFSA-N 2 1 396.575 3.677 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C)[NH3+] ZINC000572839383 900288417 /nfs/dbraw/zinc/28/84/17/900288417.db2.gz KLHAZEZMXIQDJR-TWKWOARYSA-N 2 1 399.501 3.824 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000573370231 900477711 /nfs/dbraw/zinc/47/77/11/900477711.db2.gz WCVRFGJFSKTEOR-SAPNQHFASA-N 2 1 381.511 3.555 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646378377 914466879 /nfs/dbraw/zinc/46/68/79/914466879.db2.gz JNNUGZUVJGVENS-NJYVYQBISA-N 2 1 398.595 3.731 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844355242 900754242 /nfs/dbraw/zinc/75/42/42/900754242.db2.gz MRJQBDDPWZNSSG-XUVXKRRUSA-N 2 1 397.604 3.503 20 0 GHADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574795432 901014234 /nfs/dbraw/zinc/01/42/34/901014234.db2.gz JAUCGIJVFJYYSC-LKUPVBHCSA-N 2 1 385.939 3.757 20 0 GHADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574795432 901014248 /nfs/dbraw/zinc/01/42/48/901014248.db2.gz JAUCGIJVFJYYSC-LKUPVBHCSA-N 2 1 385.939 3.757 20 0 GHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1O2 ZINC000574977775 901076788 /nfs/dbraw/zinc/07/67/88/901076788.db2.gz JWMRJRQRHWTXQN-LJQANCHMSA-N 2 1 399.922 3.856 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886497160 901079558 /nfs/dbraw/zinc/07/95/58/901079558.db2.gz URPSPKXBNVSWCY-WWNPGLIZSA-N 2 1 377.532 3.531 20 0 GHADMP CCc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(CC)c1O ZINC001144143297 901122849 /nfs/dbraw/zinc/12/28/49/901122849.db2.gz UFBVWFYESYOYHR-PKTZIBPZSA-N 2 1 379.548 3.866 20 0 GHADMP CCc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(CC)c1O ZINC001144143297 901122854 /nfs/dbraw/zinc/12/28/54/901122854.db2.gz UFBVWFYESYOYHR-PKTZIBPZSA-N 2 1 379.548 3.866 20 0 GHADMP CCc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc(CC)c1O ZINC001144143297 901122864 /nfs/dbraw/zinc/12/28/64/901122864.db2.gz UFBVWFYESYOYHR-PKTZIBPZSA-N 2 1 379.548 3.866 20 0 GHADMP CCc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc(CC)c1O ZINC001144143297 901122869 /nfs/dbraw/zinc/12/28/69/901122869.db2.gz UFBVWFYESYOYHR-PKTZIBPZSA-N 2 1 379.548 3.866 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Nc2cccc3c2CC[NH2+]C3)CCC1 ZINC000575153572 901142234 /nfs/dbraw/zinc/14/22/34/901142234.db2.gz JRQTZSWVKZLVRE-UHFFFAOYSA-N 2 1 378.520 3.509 20 0 GHADMP O=C1OCCN1c1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886588635 901180249 /nfs/dbraw/zinc/18/02/49/901180249.db2.gz WJPMXFMPYZLBQA-FUDKSRODSA-N 2 1 391.515 3.786 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)n1cccn1 ZINC000886642069 901202438 /nfs/dbraw/zinc/20/24/38/901202438.db2.gz ZJXBCWZSFDQAKP-CADBVGFASA-N 2 1 378.442 3.629 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886668049 901215522 /nfs/dbraw/zinc/21/55/22/901215522.db2.gz MPJSYNLNTOSVPU-UHFFFAOYSA-N 2 1 390.915 3.897 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000576086763 901667501 /nfs/dbraw/zinc/66/75/01/901667501.db2.gz CSRAUKLUFWWYTN-MDNUFGMLSA-N 2 1 382.548 3.543 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000576182150 901766696 /nfs/dbraw/zinc/76/66/96/901766696.db2.gz VRWUNQJEIJZGCU-LJQANCHMSA-N 2 1 375.520 3.625 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000125055801 902160302 /nfs/dbraw/zinc/16/03/02/902160302.db2.gz VLSMQSZEKXADTG-LJQANCHMSA-N 2 1 381.520 3.507 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(F)c1 ZINC001144450981 902210856 /nfs/dbraw/zinc/21/08/56/902210856.db2.gz KMMADQVJMAENBR-RTWAWAEBSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1 ZINC001144450981 902210862 /nfs/dbraw/zinc/21/08/62/902210862.db2.gz KMMADQVJMAENBR-RTWAWAEBSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1 ZINC001144450981 902210871 /nfs/dbraw/zinc/21/08/71/902210871.db2.gz KMMADQVJMAENBR-RTWAWAEBSA-N 2 1 396.506 3.956 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(NC(=O)OC(C)(C)C)cc2)s1 ZINC000796323144 914616186 /nfs/dbraw/zinc/61/61/86/914616186.db2.gz LVJJYKQPYRRMIF-UHFFFAOYSA-N 2 1 390.553 3.884 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cc(F)cc(F)c1 ZINC000576937195 902372356 /nfs/dbraw/zinc/37/23/56/902372356.db2.gz YEOHQJLBSOCXAH-OAHLLOKOSA-N 2 1 393.503 3.857 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cc(F)cc(F)c1 ZINC000576937195 902372371 /nfs/dbraw/zinc/37/23/71/902372371.db2.gz YEOHQJLBSOCXAH-OAHLLOKOSA-N 2 1 393.503 3.857 20 0 GHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000576977268 902399814 /nfs/dbraw/zinc/39/98/14/902399814.db2.gz DCBGSEPPFYUXNR-IIBYNOLFSA-N 2 1 384.495 3.832 20 0 GHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000576977268 902399825 /nfs/dbraw/zinc/39/98/25/902399825.db2.gz DCBGSEPPFYUXNR-IIBYNOLFSA-N 2 1 384.495 3.832 20 0 GHADMP CCC[C@@]1(CO)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@](CO)(CCC)C3)cc2)C1 ZINC000577022214 902437926 /nfs/dbraw/zinc/43/79/26/902437926.db2.gz MWQYDDCCQGNMET-DNQXCXABSA-N 2 1 388.596 3.656 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000779014922 902867261 /nfs/dbraw/zinc/86/72/61/902867261.db2.gz RKENETOHJGKUPY-NVXWUHKLSA-N 2 1 388.556 3.550 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000577624891 902967552 /nfs/dbraw/zinc/96/75/52/902967552.db2.gz XMSCLCMZEILMIX-NZQKXSOJSA-N 2 1 393.575 3.821 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(Cl)c(F)c3)CC2)CC1 ZINC000846814133 903234616 /nfs/dbraw/zinc/23/46/16/903234616.db2.gz NZJMXNQUNGYGLU-UHFFFAOYSA-N 2 1 382.955 3.502 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000601237070 903494041 /nfs/dbraw/zinc/49/40/41/903494041.db2.gz ZNTRJYGPZDINFC-KNQAVFIVSA-N 2 1 386.584 3.591 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cc[nH+]c4ccccc34)C3(C2)CCOCC3)cc1 ZINC000578200363 903608160 /nfs/dbraw/zinc/60/81/60/903608160.db2.gz QSNHGYCRQYUHMQ-OAQYLSRUSA-N 2 1 387.527 3.997 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000136565036 903793570 /nfs/dbraw/zinc/79/35/70/903793570.db2.gz SNXLSWUHJRKTHW-XZOQPEGZSA-N 2 1 395.547 3.518 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C(C)(C)c4ccccc4)CC3)CC2)CC1 ZINC000578522928 903931333 /nfs/dbraw/zinc/93/13/33/903931333.db2.gz ZYMSVIUFSSIGGT-UHFFFAOYSA-N 2 1 397.607 3.809 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000646681176 914771202 /nfs/dbraw/zinc/77/12/02/914771202.db2.gz LGTIDEINMUMQLW-GMAHTHKFSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000646681176 914771214 /nfs/dbraw/zinc/77/12/14/914771214.db2.gz LGTIDEINMUMQLW-GMAHTHKFSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000646681176 914771228 /nfs/dbraw/zinc/77/12/28/914771228.db2.gz LGTIDEINMUMQLW-GMAHTHKFSA-N 2 1 385.596 3.569 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000578759684 904103904 /nfs/dbraw/zinc/10/39/04/904103904.db2.gz CXYXIAOJOVSIKY-UCBGAZFYSA-N 2 1 394.559 3.828 20 0 GHADMP COCCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000152416610 904265345 /nfs/dbraw/zinc/26/53/45/904265345.db2.gz FUOIABLZOACOHJ-KXBFYZLASA-N 2 1 381.358 3.991 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171411663 904542483 /nfs/dbraw/zinc/54/24/83/904542483.db2.gz LHISZBYPAYMJOK-OAQYLSRUSA-N 2 1 382.523 3.988 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3CC3CCCC3)cc2)CC1 ZINC001171631340 904853203 /nfs/dbraw/zinc/85/32/03/904853203.db2.gz KCVZSKVBCZOHFM-QHCPKHFHSA-N 2 1 398.595 3.812 20 0 GHADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001171730365 904957513 /nfs/dbraw/zinc/95/75/13/904957513.db2.gz XUHFDCYHIDMDMJ-XLIONFOSSA-N 2 1 394.519 3.535 20 0 GHADMP COC(=O)c1ccc2c(c1)c(C[NH3+])cn2[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171734909 905016799 /nfs/dbraw/zinc/01/67/99/905016799.db2.gz RIIYWYHSLBTVEZ-OXJNMPFZSA-N 2 1 377.488 3.722 20 0 GHADMP Fc1cccc2c1C[C@@H]([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001171800320 905058164 /nfs/dbraw/zinc/05/81/64/905058164.db2.gz SLRPSYWHUHEGGO-OTNCWRBYSA-N 2 1 398.566 3.753 20 0 GHADMP Fc1cccc2c1C[C@@H]([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001171800320 905058192 /nfs/dbraw/zinc/05/81/92/905058192.db2.gz SLRPSYWHUHEGGO-OTNCWRBYSA-N 2 1 398.566 3.753 20 0 GHADMP Fc1cccc2c1C[C@@H]([NH+]1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001171800320 905058206 /nfs/dbraw/zinc/05/82/06/905058206.db2.gz SLRPSYWHUHEGGO-OTNCWRBYSA-N 2 1 398.566 3.753 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001171876720 905080186 /nfs/dbraw/zinc/08/01/86/905080186.db2.gz BPYPQAPAYVKHRO-GOTSBHOMSA-N 2 1 383.580 3.926 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001171876720 905080206 /nfs/dbraw/zinc/08/02/06/905080206.db2.gz BPYPQAPAYVKHRO-GOTSBHOMSA-N 2 1 383.580 3.926 20 0 GHADMP CC(C)(C)OC(=O)C1CCC(N2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001171917029 905146623 /nfs/dbraw/zinc/14/66/23/905146623.db2.gz KKBGSKFEQPJECC-UHFFFAOYSA-N 2 1 376.516 3.976 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171962091 905169664 /nfs/dbraw/zinc/16/96/64/905169664.db2.gz BLJGMPIQADHBPI-DHIUTWEWSA-N 2 1 391.559 3.820 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171966596 905174564 /nfs/dbraw/zinc/17/45/64/905174564.db2.gz LSRSTMUSIMGKFJ-XZOQPEGZSA-N 2 1 382.548 3.597 20 0 GHADMP C[NH+](C)CCCN(CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989126 905198713 /nfs/dbraw/zinc/19/87/13/905198713.db2.gz YIGMTNFAFOYSHK-QHCPKHFHSA-N 3 1 388.644 3.635 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171968824 905214161 /nfs/dbraw/zinc/21/41/61/905214161.db2.gz RQIYIKWPRCFCRZ-FGZHOGPDSA-N 2 1 393.575 3.758 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCN(c3ccc(O)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171978145 905225255 /nfs/dbraw/zinc/22/52/55/905225255.db2.gz WSKVVZJVHHRSTC-JOCHJYFZSA-N 2 1 379.548 3.957 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCN(c3ccc(O)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978145 905225269 /nfs/dbraw/zinc/22/52/69/905225269.db2.gz WSKVVZJVHHRSTC-JOCHJYFZSA-N 2 1 379.548 3.957 20 0 GHADMP CC1(C)C[C@@H](NC(=[NH2+])c2cnc3ccc(F)cn23)CC[N@H+]1Cc1ccccc1 ZINC001171980529 905231548 /nfs/dbraw/zinc/23/15/48/905231548.db2.gz VQDXTKHZGDOCFZ-SFHVURJKSA-N 2 1 379.483 3.832 20 0 GHADMP CC1(C)C[C@H](NC(=[NH2+])c2cnc3ccc(F)cn23)CC[N@H+]1Cc1ccccc1 ZINC001171980517 905233052 /nfs/dbraw/zinc/23/30/52/905233052.db2.gz VQDXTKHZGDOCFZ-GOSISDBHSA-N 2 1 379.483 3.832 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC001171983023 905239080 /nfs/dbraw/zinc/23/90/80/905239080.db2.gz MBQOTHBWPJQURS-IBGZPJMESA-N 2 1 382.504 3.827 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171984444 905242172 /nfs/dbraw/zinc/24/21/72/905242172.db2.gz VULWMYOYKYNJPO-JOCHJYFZSA-N 2 1 391.559 3.999 20 0 GHADMP Cc1cc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)cc[nH+]1 ZINC001171986658 905244195 /nfs/dbraw/zinc/24/41/95/905244195.db2.gz KIGAXWKWUIYCLE-HSZRJFAPSA-N 2 1 378.564 3.955 20 0 GHADMP CC1(C)C[C@@H](N(c2ncc(F)cn2)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987245 905246230 /nfs/dbraw/zinc/24/62/30/905246230.db2.gz SCWSWMPPGXFQOG-NRFANRHFSA-N 2 1 397.542 3.617 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)cc12 ZINC000174451577 905274666 /nfs/dbraw/zinc/27/46/66/905274666.db2.gz WWPXZYMIPCXOPT-UHFFFAOYSA-N 2 1 389.503 3.792 20 0 GHADMP COc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172072826 905276382 /nfs/dbraw/zinc/27/63/82/905276382.db2.gz NGTZKQXHFZISEY-YCAMKHIRSA-N 2 1 394.559 3.774 20 0 GHADMP CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072717 905277877 /nfs/dbraw/zinc/27/78/77/905277877.db2.gz PVDWPAPWVKUSHN-NXYDZRKXSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072717 905277897 /nfs/dbraw/zinc/27/78/97/905277897.db2.gz PVDWPAPWVKUSHN-NXYDZRKXSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@@]2(CC1=O)CCCC[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072717 905277915 /nfs/dbraw/zinc/27/79/15/905277915.db2.gz PVDWPAPWVKUSHN-NXYDZRKXSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@@]2(CC1=O)CCCC[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072717 905277946 /nfs/dbraw/zinc/27/79/46/905277946.db2.gz PVDWPAPWVKUSHN-NXYDZRKXSA-N 2 1 381.564 3.659 20 0 GHADMP CCN(C(C)=O)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172088740 905305639 /nfs/dbraw/zinc/30/56/39/905305639.db2.gz NYXYUCSXLXODQT-UBRQYEGLSA-N 2 1 383.580 3.905 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090955 905312838 /nfs/dbraw/zinc/31/28/38/905312838.db2.gz YGTCSROXBDKNCP-MYDTUXCISA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090955 905312855 /nfs/dbraw/zinc/31/28/55/905312855.db2.gz YGTCSROXBDKNCP-MYDTUXCISA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090955 905312868 /nfs/dbraw/zinc/31/28/68/905312868.db2.gz YGTCSROXBDKNCP-MYDTUXCISA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090955 905312874 /nfs/dbraw/zinc/31/28/74/905312874.db2.gz YGTCSROXBDKNCP-MYDTUXCISA-N 2 1 398.595 3.744 20 0 GHADMP [NH3+]C[C@@H]1Cc2ccccc2CN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065911 905331819 /nfs/dbraw/zinc/33/18/19/905331819.db2.gz BIYQERSDPYDNSX-LIONHTAISA-N 2 1 375.560 3.958 20 0 GHADMP O=C(C1CCC1)N1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067755 905334847 /nfs/dbraw/zinc/33/48/47/905334847.db2.gz SDMUGJARJFYXPI-GPJHCHHRSA-N 2 1 381.564 3.563 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC1)C2 ZINC001172130052 905343333 /nfs/dbraw/zinc/34/33/33/905343333.db2.gz GEWFYIZYGZVAPW-RDGPPVDQSA-N 2 1 377.573 3.771 20 0 GHADMP CCC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132827 905344585 /nfs/dbraw/zinc/34/45/85/905344585.db2.gz OOCFQRKHYSZOGB-HAGHYFMRSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132827 905344593 /nfs/dbraw/zinc/34/45/93/905344593.db2.gz OOCFQRKHYSZOGB-HAGHYFMRSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132827 905344604 /nfs/dbraw/zinc/34/46/04/905344604.db2.gz OOCFQRKHYSZOGB-HAGHYFMRSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172132827 905344621 /nfs/dbraw/zinc/34/46/21/905344621.db2.gz OOCFQRKHYSZOGB-HAGHYFMRSA-N 2 1 379.589 3.971 20 0 GHADMP CCn1c2ccccc2nc1N1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172111312 905360832 /nfs/dbraw/zinc/36/08/32/905360832.db2.gz PXVHRUUFIRYKIS-ACDBMABISA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172111312 905360846 /nfs/dbraw/zinc/36/08/46/905360846.db2.gz PXVHRUUFIRYKIS-ACDBMABISA-N 2 1 381.568 3.630 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172114450 905363117 /nfs/dbraw/zinc/36/31/17/905363117.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 3 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172114450 905363131 /nfs/dbraw/zinc/36/31/31/905363131.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 3 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172114450 905363146 /nfs/dbraw/zinc/36/31/46/905363146.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 3 1 382.596 3.773 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172114450 905363161 /nfs/dbraw/zinc/36/31/61/905363161.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 2 1 382.596 3.773 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172114450 905363174 /nfs/dbraw/zinc/36/31/74/905363174.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 2 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172114450 905363188 /nfs/dbraw/zinc/36/31/88/905363188.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 2 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172114450 905363204 /nfs/dbraw/zinc/36/32/04/905363204.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 2 1 382.596 3.773 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC(NC(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172115783 905367251 /nfs/dbraw/zinc/36/72/51/905367251.db2.gz ADLVZCNAKHWTIB-REPLKXPHSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116166 905367573 /nfs/dbraw/zinc/36/75/73/905367573.db2.gz JVWQOVHIOAKMMV-UEQSERJNSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172116166 905367580 /nfs/dbraw/zinc/36/75/80/905367580.db2.gz JVWQOVHIOAKMMV-UEQSERJNSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116166 905367592 /nfs/dbraw/zinc/36/75/92/905367592.db2.gz JVWQOVHIOAKMMV-UEQSERJNSA-N 2 1 397.607 3.757 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116166 905367602 /nfs/dbraw/zinc/36/76/02/905367602.db2.gz JVWQOVHIOAKMMV-UEQSERJNSA-N 3 1 397.607 3.757 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116166 905367608 /nfs/dbraw/zinc/36/76/08/905367608.db2.gz JVWQOVHIOAKMMV-UEQSERJNSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172116166 905367624 /nfs/dbraw/zinc/36/76/24/905367624.db2.gz JVWQOVHIOAKMMV-UEQSERJNSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116166 905367641 /nfs/dbraw/zinc/36/76/41/905367641.db2.gz JVWQOVHIOAKMMV-UEQSERJNSA-N 3 1 397.607 3.757 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174867929 905379103 /nfs/dbraw/zinc/37/91/03/905379103.db2.gz SVQYKYANLVCAAM-OAQYLSRUSA-N 2 1 380.536 3.734 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122032 905382012 /nfs/dbraw/zinc/38/20/12/905382012.db2.gz VRADTDKFPGAYGS-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122032 905382033 /nfs/dbraw/zinc/38/20/33/905382033.db2.gz VRADTDKFPGAYGS-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122032 905382054 /nfs/dbraw/zinc/38/20/54/905382054.db2.gz VRADTDKFPGAYGS-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172558758 905621922 /nfs/dbraw/zinc/62/19/22/905621922.db2.gz KGFNCZGIYJUJFL-IFMALSPDSA-N 2 1 394.563 3.627 20 0 GHADMP c1ccc([C@@H]2CC[C@@H]([NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560824 905622847 /nfs/dbraw/zinc/62/28/47/905622847.db2.gz LJGFXSQJXQBUEK-ZGFBMJKBSA-N 2 1 391.559 3.941 20 0 GHADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560824 905622861 /nfs/dbraw/zinc/62/28/61/905622861.db2.gz LJGFXSQJXQBUEK-ZGFBMJKBSA-N 2 1 391.559 3.941 20 0 GHADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)C2)cc1 ZINC001172560824 905622869 /nfs/dbraw/zinc/62/28/69/905622869.db2.gz LJGFXSQJXQBUEK-ZGFBMJKBSA-N 2 1 391.559 3.941 20 0 GHADMP Clc1ccc2c(c1)C[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001172715890 905764481 /nfs/dbraw/zinc/76/44/81/905764481.db2.gz IPBWZRINIFZVPK-FQEVSTJZSA-N 2 1 384.955 3.548 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172774440 905815109 /nfs/dbraw/zinc/81/51/09/905815109.db2.gz BIDHLSWZHYJJBX-BURNTYAHSA-N 2 1 388.552 3.889 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC1)CC2 ZINC001172834532 905866138 /nfs/dbraw/zinc/86/61/38/905866138.db2.gz VENXPASHFGWWLV-HSZRJFAPSA-N 2 1 378.564 3.716 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC1)CC2 ZINC001172834532 905866144 /nfs/dbraw/zinc/86/61/44/905866144.db2.gz VENXPASHFGWWLV-HSZRJFAPSA-N 2 1 378.564 3.716 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172856655 905910927 /nfs/dbraw/zinc/91/09/27/905910927.db2.gz LSYSZKSWYNWWKU-AWEZNQCLSA-N 2 1 399.938 3.728 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172942690 906009879 /nfs/dbraw/zinc/00/98/79/906009879.db2.gz AXYBAZWLJYHMQS-UYAOXDASSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001172960560 906068745 /nfs/dbraw/zinc/06/87/45/906068745.db2.gz MWGHWICRDLDMGA-LJQANCHMSA-N 2 1 389.584 3.929 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001173111978 906201255 /nfs/dbraw/zinc/20/12/55/906201255.db2.gz SZQZZFCUIAOFBY-NGICGMGXSA-N 2 1 375.582 3.830 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173155948 906241030 /nfs/dbraw/zinc/24/10/30/906241030.db2.gz DDDCQXAVXDZLAY-VAMGGRTRSA-N 2 1 384.495 3.910 20 0 GHADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001173244803 906332620 /nfs/dbraw/zinc/33/26/20/906332620.db2.gz JACOAEQQULUXRL-BUUDZMLXSA-N 2 1 393.575 3.798 20 0 GHADMP CC[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)C1 ZINC001173275267 906346202 /nfs/dbraw/zinc/34/62/02/906346202.db2.gz GXDJPZKAYFLGJE-HJNYFJLDSA-N 2 1 378.601 3.795 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC001173418026 906447222 /nfs/dbraw/zinc/44/72/22/906447222.db2.gz JLBHGPJDRNUZSF-JXFKEZNVSA-N 2 1 377.960 3.653 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC([NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC001173418738 906447756 /nfs/dbraw/zinc/44/77/56/906447756.db2.gz PNBTWHKARKRHIZ-UHFFFAOYSA-N 2 1 375.944 3.505 20 0 GHADMP C[C@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000179478304 906509026 /nfs/dbraw/zinc/50/90/26/906509026.db2.gz HSFZAENLZQVTRG-CWBXHPNXSA-N 2 1 398.599 3.716 20 0 GHADMP C[C@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000179478304 906509033 /nfs/dbraw/zinc/50/90/33/906509033.db2.gz HSFZAENLZQVTRG-CWBXHPNXSA-N 2 1 398.599 3.716 20 0 GHADMP C[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000179478304 906509041 /nfs/dbraw/zinc/50/90/41/906509041.db2.gz HSFZAENLZQVTRG-CWBXHPNXSA-N 2 1 398.599 3.716 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001173608376 906561416 /nfs/dbraw/zinc/56/14/16/906561416.db2.gz GSBYFVZRNICCNN-DJSMFCCRSA-N 2 1 384.564 3.795 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173618945 906565369 /nfs/dbraw/zinc/56/53/69/906565369.db2.gz UVTXOGUDXIMMGG-JUVJEOJQSA-N 2 1 382.548 3.562 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173618945 906565392 /nfs/dbraw/zinc/56/53/92/906565392.db2.gz UVTXOGUDXIMMGG-JUVJEOJQSA-N 2 1 382.548 3.562 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173618945 906565405 /nfs/dbraw/zinc/56/54/05/906565405.db2.gz UVTXOGUDXIMMGG-JUVJEOJQSA-N 2 1 382.548 3.562 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000299263438 921272974 /nfs/dbraw/zinc/27/29/74/921272974.db2.gz KKKJDKOAQLLKKR-MAUKXSAKSA-N 2 1 399.938 3.534 20 0 GHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000629601199 906892039 /nfs/dbraw/zinc/89/20/39/906892039.db2.gz IPJHSCLEOOUVKZ-OALUTQOASA-N 2 1 383.536 3.554 20 0 GHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H]1CCC[NH2+]C1 ZINC000629601199 906892056 /nfs/dbraw/zinc/89/20/56/906892056.db2.gz IPJHSCLEOOUVKZ-OALUTQOASA-N 2 1 383.536 3.554 20 0 GHADMP CN1CC[NH+](CCOc2ccc(-c3ccc4c(c3)CCCC[C@@H]4[NH3+])cc2)CC1 ZINC000629705163 906973476 /nfs/dbraw/zinc/97/34/76/906973476.db2.gz IIDCHDLDKFYBIA-DEOSSOPVSA-N 2 1 379.548 3.706 20 0 GHADMP C[NH+]1CCC(Oc2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)nc2)CC1 ZINC001175505391 907591897 /nfs/dbraw/zinc/59/18/97/907591897.db2.gz OKUNWRYIJLNNOQ-UHFFFAOYSA-N 2 1 378.520 3.756 20 0 GHADMP Cc1c(-c2cc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)on2)cnn1C ZINC000184621285 907623418 /nfs/dbraw/zinc/62/34/18/907623418.db2.gz XFUVXRKSTNKMPA-KRWDZBQOSA-N 2 1 385.556 3.860 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185544717 907789065 /nfs/dbraw/zinc/78/90/65/907789065.db2.gz ZJZPFWNJGSJQNQ-LEWJYISDSA-N 2 1 389.565 3.655 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc2C1 ZINC000631664114 907796053 /nfs/dbraw/zinc/79/60/53/907796053.db2.gz LXXGGSXZSNKRND-CYSDGLOUSA-N 2 1 391.559 3.838 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707840 907819462 /nfs/dbraw/zinc/81/94/62/907819462.db2.gz GPLGRWNAPDLBJR-CABCVRRESA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707840 907819480 /nfs/dbraw/zinc/81/94/80/907819480.db2.gz GPLGRWNAPDLBJR-CABCVRRESA-N 2 1 383.458 3.887 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC12CCOCC2 ZINC000631827903 907857660 /nfs/dbraw/zinc/85/76/60/907857660.db2.gz YXHMHCARKHBNTJ-AWEZNQCLSA-N 2 1 395.425 3.548 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC12CCOCC2 ZINC000631827903 907857672 /nfs/dbraw/zinc/85/76/72/907857672.db2.gz YXHMHCARKHBNTJ-AWEZNQCLSA-N 2 1 395.425 3.548 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000191565934 908643467 /nfs/dbraw/zinc/64/34/67/908643467.db2.gz UTRQJZKUZSMEKC-CQSZACIVSA-N 2 1 384.505 3.707 20 0 GHADMP [NH3+]C1(c2noc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccncc3)n2)CCCC1 ZINC000634555868 908764827 /nfs/dbraw/zinc/76/48/27/908764827.db2.gz XLQAQEVBSPFVAO-VQTJNVASSA-N 2 1 389.503 3.576 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000634688525 908801874 /nfs/dbraw/zinc/80/18/74/908801874.db2.gz VLLHIAMWYVWNGK-UHFFFAOYSA-N 2 1 375.520 3.805 20 0 GHADMP COc1cc(C[NH2+]CCCCn2cc[nH+]c2C)ccc1OCc1c(C)noc1C ZINC000266152841 909021560 /nfs/dbraw/zinc/02/15/60/909021560.db2.gz KWJHRFHPHPWXCY-UHFFFAOYSA-N 2 1 398.507 3.954 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NCCCCn1cc[nH+]c1C ZINC000266335983 909085563 /nfs/dbraw/zinc/08/55/63/909085563.db2.gz FSPCFNJUCPLUQP-UHFFFAOYSA-N 2 1 387.528 3.514 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000635006423 909099424 /nfs/dbraw/zinc/09/94/24/909099424.db2.gz YIVRDFKRSWWNAD-KUHUBIRLSA-N 2 1 380.458 3.821 20 0 GHADMP CSc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000266845102 909318920 /nfs/dbraw/zinc/31/89/20/909318920.db2.gz HWFCRSRUEHXVBQ-KRWDZBQOSA-N 2 1 383.561 3.647 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000635746465 909337396 /nfs/dbraw/zinc/33/73/96/909337396.db2.gz FPQPBPMBGRYRKM-UHFFFAOYSA-N 2 1 380.536 3.521 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000635746465 909337408 /nfs/dbraw/zinc/33/74/08/909337408.db2.gz FPQPBPMBGRYRKM-UHFFFAOYSA-N 2 1 380.536 3.521 20 0 GHADMP O=C(C[NH+]1C2CCC1CC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000635903268 909376387 /nfs/dbraw/zinc/37/63/87/909376387.db2.gz SEWOPTBGCGAXRK-UHFFFAOYSA-N 2 1 389.543 3.547 20 0 GHADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001179238037 909434114 /nfs/dbraw/zinc/43/41/14/909434114.db2.gz GUBHDQSKNIPSQP-GOSISDBHSA-N 2 1 377.573 3.990 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC001179531851 909566049 /nfs/dbraw/zinc/56/60/49/909566049.db2.gz PUMGSUHHOAKETD-MOPGFXCFSA-N 2 1 388.449 3.922 20 0 GHADMP Cc1cc(N(C)C)cc(C)c1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638282056 910102696 /nfs/dbraw/zinc/10/26/96/910102696.db2.gz XMFDTZXMIZEDSD-UHFFFAOYSA-N 2 1 394.563 3.692 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638347341 910127728 /nfs/dbraw/zinc/12/77/28/910127728.db2.gz PDTPYOVYWUYPEX-RBBKRZOGSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638347341 910127737 /nfs/dbraw/zinc/12/77/37/910127737.db2.gz PDTPYOVYWUYPEX-RBBKRZOGSA-N 2 1 393.531 3.842 20 0 GHADMP C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000269123452 910149872 /nfs/dbraw/zinc/14/98/72/910149872.db2.gz YBGWUMFMOAAVLL-FQEVSTJZSA-N 2 1 392.547 3.917 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000269234583 910189908 /nfs/dbraw/zinc/18/99/08/910189908.db2.gz LGEVCEDSZIJVTL-UHFFFAOYSA-N 2 1 384.568 3.574 20 0 GHADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000638976980 910288236 /nfs/dbraw/zinc/28/82/36/910288236.db2.gz NLCHCSZZGVYZFX-GOSISDBHSA-N 2 1 394.346 3.822 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000151160534 910290309 /nfs/dbraw/zinc/29/03/09/910290309.db2.gz PZDGFGBAKDMSPL-NRFANRHFSA-N 2 1 389.971 3.799 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000151160534 910290327 /nfs/dbraw/zinc/29/03/27/910290327.db2.gz PZDGFGBAKDMSPL-NRFANRHFSA-N 2 1 389.971 3.799 20 0 GHADMP CCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001180680808 910302137 /nfs/dbraw/zinc/30/21/37/910302137.db2.gz BGVGFOPYRQIWHO-GMAHTHKFSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)CC[N@H+](C)Cc2ccccc2)CC1 ZINC001181139522 910566375 /nfs/dbraw/zinc/56/63/75/910566375.db2.gz IDUSJEZAGVBDFO-UHFFFAOYSA-N 2 1 397.538 3.771 20 0 GHADMP C[NH+](CCC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC001181139522 910566383 /nfs/dbraw/zinc/56/63/83/910566383.db2.gz IDUSJEZAGVBDFO-UHFFFAOYSA-N 2 1 397.538 3.771 20 0 GHADMP C[NH+](CCC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC001181139522 910566395 /nfs/dbraw/zinc/56/63/95/910566395.db2.gz IDUSJEZAGVBDFO-UHFFFAOYSA-N 2 1 397.538 3.771 20 0 GHADMP [NH3+]CCN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1cccnc1 ZINC001182244399 911327606 /nfs/dbraw/zinc/32/76/06/911327606.db2.gz NSCDDOMYFAJQFC-HXUWFJFHSA-N 2 1 386.927 3.644 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)C2 ZINC001182251264 911345539 /nfs/dbraw/zinc/34/55/39/911345539.db2.gz VJWLTCZUNLCFEB-KAGYGMCKSA-N 2 1 389.971 3.667 20 0 GHADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2)C1 ZINC001182241008 911364913 /nfs/dbraw/zinc/36/49/13/911364913.db2.gz NYLUTFHONORIOH-DHIUTWEWSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)Cc2ccccc2)C1 ZINC001182241008 911364930 /nfs/dbraw/zinc/36/49/30/911364930.db2.gz NYLUTFHONORIOH-DHIUTWEWSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccccc2)C1 ZINC001182241008 911364943 /nfs/dbraw/zinc/36/49/43/911364943.db2.gz NYLUTFHONORIOH-DHIUTWEWSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)C1 ZINC001182241008 911364953 /nfs/dbraw/zinc/36/49/53/911364953.db2.gz NYLUTFHONORIOH-DHIUTWEWSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC000283194031 911407837 /nfs/dbraw/zinc/40/78/37/911407837.db2.gz FWTBIKMINMJWSQ-UHFFFAOYSA-N 2 1 384.543 3.812 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001182347071 911520619 /nfs/dbraw/zinc/52/06/19/911520619.db2.gz XFKAVNWXEBAKMO-HXUWFJFHSA-N 2 1 385.596 3.975 20 0 GHADMP COc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000284110898 911758091 /nfs/dbraw/zinc/75/80/91/911758091.db2.gz CDJFXGBRESJYHJ-KXBFYZLASA-N 2 1 389.927 3.551 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001182798126 912028741 /nfs/dbraw/zinc/02/87/41/912028741.db2.gz FYJGPVUTGLNDRC-OAQYLSRUSA-N 2 1 375.532 3.609 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001182798126 912028753 /nfs/dbraw/zinc/02/87/53/912028753.db2.gz FYJGPVUTGLNDRC-OAQYLSRUSA-N 2 1 375.532 3.609 20 0 GHADMP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186940087 914888597 /nfs/dbraw/zinc/88/85/97/914888597.db2.gz PLSIBYOYTCPINI-UBRQYEGLSA-N 2 1 389.543 3.533 20 0 GHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)c1 ZINC000291090159 914967190 /nfs/dbraw/zinc/96/71/90/914967190.db2.gz PGCUDRZRSRQYAQ-UHFFFAOYSA-N 2 1 378.875 3.876 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001187293558 915138383 /nfs/dbraw/zinc/13/83/83/915138383.db2.gz LKKJXPLJVPOZQC-OLKYXYMISA-N 2 1 393.575 3.783 20 0 GHADMP C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344440 915166976 /nfs/dbraw/zinc/16/69/76/915166976.db2.gz QMYAYXMZRLURID-KTJVCJKDSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H](NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647344440 915166989 /nfs/dbraw/zinc/16/69/89/915166989.db2.gz QMYAYXMZRLURID-KTJVCJKDSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H](NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647344440 915166991 /nfs/dbraw/zinc/16/69/91/915166991.db2.gz QMYAYXMZRLURID-KTJVCJKDSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344440 915166993 /nfs/dbraw/zinc/16/69/93/915166993.db2.gz QMYAYXMZRLURID-KTJVCJKDSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344440 915166995 /nfs/dbraw/zinc/16/69/95/915166995.db2.gz QMYAYXMZRLURID-KTJVCJKDSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647344440 915166999 /nfs/dbraw/zinc/16/69/99/915166999.db2.gz QMYAYXMZRLURID-KTJVCJKDSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647344440 915167002 /nfs/dbraw/zinc/16/70/02/915167002.db2.gz QMYAYXMZRLURID-KTJVCJKDSA-N 3 1 377.576 3.832 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000647479805 915290735 /nfs/dbraw/zinc/29/07/35/915290735.db2.gz VESHCQYAGXUYBK-NFBKMPQASA-N 2 1 387.531 3.898 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000647479805 915290748 /nfs/dbraw/zinc/29/07/48/915290748.db2.gz VESHCQYAGXUYBK-NFBKMPQASA-N 2 1 387.531 3.898 20 0 GHADMP COc1ccc(Br)cc1C1([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000647800520 915390295 /nfs/dbraw/zinc/39/02/95/915390295.db2.gz DSGLCRFWTRQUQC-CYBMUJFWSA-N 2 1 390.325 3.960 20 0 GHADMP O=C(c1cccc(Cl)c1Cl)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647875529 915424182 /nfs/dbraw/zinc/42/41/82/915424182.db2.gz FZUCPDJWFOUOOF-UHFFFAOYSA-N 2 1 384.351 3.531 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1cccs1 ZINC000647977719 915459851 /nfs/dbraw/zinc/45/98/51/915459851.db2.gz GPZGOTZUPOWRTO-MBOZVWFJSA-N 2 1 377.598 3.663 20 0 GHADMP COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OCc1ccccc1 ZINC000648071637 915507689 /nfs/dbraw/zinc/50/76/89/915507689.db2.gz MAWFCGAZEWGCPD-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OCc1ccccc1 ZINC000648071637 915507699 /nfs/dbraw/zinc/50/76/99/915507699.db2.gz MAWFCGAZEWGCPD-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000648483494 915714842 /nfs/dbraw/zinc/71/48/42/915714842.db2.gz DQIVUECPTHIJIE-XXBNENTESA-N 2 1 383.580 3.605 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292755528 915829138 /nfs/dbraw/zinc/82/91/38/915829138.db2.gz VEDFTJDTUJOHHB-JOCHJYFZSA-N 2 1 381.524 3.614 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292755528 915829156 /nfs/dbraw/zinc/82/91/56/915829156.db2.gz VEDFTJDTUJOHHB-JOCHJYFZSA-N 2 1 381.524 3.614 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000648732922 915843507 /nfs/dbraw/zinc/84/35/07/915843507.db2.gz VTLWWPKJJTWSAV-MJGOQNOKSA-N 2 1 396.535 3.501 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000648741897 915852474 /nfs/dbraw/zinc/85/24/74/915852474.db2.gz YFERKLZRLFOPIA-QUCCMNQESA-N 2 1 398.551 3.749 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000648760537 915867983 /nfs/dbraw/zinc/86/79/83/915867983.db2.gz BIXNESBDSXVBHX-HXUWFJFHSA-N 2 1 382.552 3.564 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000648760537 915867998 /nfs/dbraw/zinc/86/79/98/915867998.db2.gz BIXNESBDSXVBHX-HXUWFJFHSA-N 2 1 382.552 3.564 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2)cs1 ZINC000649417775 916147541 /nfs/dbraw/zinc/14/75/41/916147541.db2.gz FLWDWSNBLKHKFC-RTBURBONSA-N 2 1 398.576 3.769 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000650417255 916968678 /nfs/dbraw/zinc/96/86/78/916968678.db2.gz VXVPEQYKEGKISE-MJGOQNOKSA-N 2 1 390.597 3.821 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705547 917242210 /nfs/dbraw/zinc/24/22/10/917242210.db2.gz LCSILVHJHRYOMM-LNLFQRSKSA-N 2 1 396.959 3.856 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707034 917243593 /nfs/dbraw/zinc/24/35/93/917243593.db2.gz XGUTVPQQGCQMCP-WPFOTENUSA-N 2 1 396.579 3.575 20 0 GHADMP COc1cc(CNCc2c(Cl)cccc2-n2ccnc2)cc(OC)c1OC ZINC000295582064 917366231 /nfs/dbraw/zinc/36/62/31/917366231.db2.gz BMDVCTHSXGGASK-UHFFFAOYSA-N 2 1 387.867 3.841 20 0 GHADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cc(Cl)cc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000295713144 917441461 /nfs/dbraw/zinc/44/14/61/917441461.db2.gz KITDNVYNHWPYCE-YFDQIPFUSA-N 2 1 394.987 3.807 20 0 GHADMP C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000295875482 917567213 /nfs/dbraw/zinc/56/72/13/917567213.db2.gz CYOBUCASRBJIHX-SZPZYZBQSA-N 2 1 394.987 3.814 20 0 GHADMP C[C@@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000295875482 917567224 /nfs/dbraw/zinc/56/72/24/917567224.db2.gz CYOBUCASRBJIHX-SZPZYZBQSA-N 2 1 394.987 3.814 20 0 GHADMP C[C@@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000295875482 917567237 /nfs/dbraw/zinc/56/72/37/917567237.db2.gz CYOBUCASRBJIHX-SZPZYZBQSA-N 2 1 394.987 3.814 20 0 GHADMP Cc1ccc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000653615134 918358924 /nfs/dbraw/zinc/35/89/24/918358924.db2.gz BFEYZLHAIIKHFX-NRFANRHFSA-N 2 1 393.535 3.861 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000363619118 918539718 /nfs/dbraw/zinc/53/97/18/918539718.db2.gz KILZZKYVDCMBIG-CTNGQTDRSA-N 2 1 379.504 3.664 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000363619118 918539723 /nfs/dbraw/zinc/53/97/23/918539723.db2.gz KILZZKYVDCMBIG-CTNGQTDRSA-N 2 1 379.504 3.664 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCc3cccc(Cl)c3)CC2)CC1 ZINC000654645835 919270292 /nfs/dbraw/zinc/27/02/92/919270292.db2.gz IJFBZKPQCRGMQQ-UHFFFAOYSA-N 2 1 391.987 3.585 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380955238 919327295 /nfs/dbraw/zinc/32/72/95/919327295.db2.gz UCCLHRBFPXYYRU-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000367538351 922180045 /nfs/dbraw/zinc/18/00/45/922180045.db2.gz OBZVLPLKCRDGCH-IDIXZGLXSA-N 2 1 382.573 3.565 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)CC2)cs1 ZINC000368577351 922755490 /nfs/dbraw/zinc/75/54/90/922755490.db2.gz VWOMLJMLJRBPET-HOCLYGCPSA-N 2 1 391.503 3.617 20 0 GHADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000903147514 922807856 /nfs/dbraw/zinc/80/78/56/922807856.db2.gz JZASHIFMAGKIEQ-HOYKHHGWSA-N 2 1 396.531 3.557 20 0 GHADMP FC(F)(F)c1ccccc1C1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903911206 923393939 /nfs/dbraw/zinc/39/39/39/923393939.db2.gz YURXVPDYWSFNMT-MRXNPFEDSA-N 2 1 393.457 3.601 20 0 GHADMP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919478 923398828 /nfs/dbraw/zinc/39/88/28/923398828.db2.gz CUKWNVQHKNPAHG-LPHOPBHVSA-N 2 1 391.947 3.742 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cn(C(C)C)nc3C)CC2)cs1 ZINC000369712799 923561184 /nfs/dbraw/zinc/56/11/84/923561184.db2.gz PQZNZGYGBDWYGO-UHFFFAOYSA-N 2 1 375.586 3.793 20 0 GHADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000369837030 923663705 /nfs/dbraw/zinc/66/37/05/923663705.db2.gz YROAZRPGMUTRIB-AZUAARDMSA-N 2 1 386.584 3.587 20 0 GHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000369837030 923663711 /nfs/dbraw/zinc/66/37/11/923663711.db2.gz YROAZRPGMUTRIB-AZUAARDMSA-N 2 1 386.584 3.587 20 0 GHADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000676872293 924121099 /nfs/dbraw/zinc/12/10/99/924121099.db2.gz SIDHAXPHZVLRPE-MOPGFXCFSA-N 2 1 385.552 3.692 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)c2cccs2)CC1 ZINC000677129573 924251970 /nfs/dbraw/zinc/25/19/70/924251970.db2.gz MZGKMFYNXLMWRD-OALUTQOASA-N 2 1 377.504 3.592 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC001137309656 924454057 /nfs/dbraw/zinc/45/40/57/924454057.db2.gz OSUDIVBGYFPXGQ-HXUWFJFHSA-N 2 1 377.617 3.858 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)s2)cc1 ZINC000371333598 924531737 /nfs/dbraw/zinc/53/17/37/924531737.db2.gz VLMDPYSAGLODBC-FQEVSTJZSA-N 2 1 384.593 3.719 20 0 GHADMP COc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)c(OC)c1 ZINC000678122992 924617607 /nfs/dbraw/zinc/61/76/07/924617607.db2.gz JUVPNWMUYZDLLE-UHFFFAOYSA-N 2 1 384.520 3.810 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCc2ccc(O)cc2CC1)C1CC[NH+](C)CC1 ZINC000678221586 924673109 /nfs/dbraw/zinc/67/31/09/924673109.db2.gz RDMWHPIYAKEUMY-UHFFFAOYSA-N 2 1 379.548 3.523 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@@H+]1Cc1ccccc1 ZINC000678259977 924692702 /nfs/dbraw/zinc/69/27/02/924692702.db2.gz OKYPHCZFRWZWLG-KNQAVFIVSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2-n2cncn2)CC[N@H+]1Cc1ccccc1 ZINC000678259977 924692709 /nfs/dbraw/zinc/69/27/09/924692709.db2.gz OKYPHCZFRWZWLG-KNQAVFIVSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1Cc1ccccc1 ZINC000678259977 924692713 /nfs/dbraw/zinc/69/27/13/924692713.db2.gz OKYPHCZFRWZWLG-KNQAVFIVSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2-n2cncn2)CC[NH+]1Cc1ccccc1 ZINC000678259977 924692720 /nfs/dbraw/zinc/69/27/20/924692720.db2.gz OKYPHCZFRWZWLG-KNQAVFIVSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678295029 924712287 /nfs/dbraw/zinc/71/22/87/924712287.db2.gz KGEXJWJKLKHANQ-GOSISDBHSA-N 2 1 393.597 3.535 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccs1 ZINC000373301495 926003937 /nfs/dbraw/zinc/00/39/37/926003937.db2.gz LEEDUFGXRZILGS-MAUKXSAKSA-N 2 1 376.595 3.846 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccs1 ZINC000373301495 926003945 /nfs/dbraw/zinc/00/39/45/926003945.db2.gz LEEDUFGXRZILGS-MAUKXSAKSA-N 2 1 376.595 3.846 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000373563914 926251395 /nfs/dbraw/zinc/25/13/95/926251395.db2.gz QIQHEUNBVFUNJE-PCODUJHASA-N 2 1 397.485 3.593 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393913310 926412192 /nfs/dbraw/zinc/41/21/92/926412192.db2.gz FAZIDYRRGRVZDM-JBACZVJFSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]([NH2+]CCC(=O)NCc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519330 926484398 /nfs/dbraw/zinc/48/43/98/926484398.db2.gz RVOZFPGMOHZKTR-WMZOPIPTSA-N 2 1 377.960 3.589 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000411546586 926498283 /nfs/dbraw/zinc/49/82/83/926498283.db2.gz BABXJNZKIJGFRT-CTNGQTDRSA-N 2 1 395.547 3.914 20 0 GHADMP CC(=O)NCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCSCC1 ZINC000411687893 926655917 /nfs/dbraw/zinc/65/59/17/926655917.db2.gz BBMOEYDXLAWQDF-UHFFFAOYSA-N 2 1 389.609 3.506 20 0 GHADMP Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(-c2ccnn2C)c1 ZINC000374656002 927385630 /nfs/dbraw/zinc/38/56/30/927385630.db2.gz HTRMXSPOVJBJQS-UHFFFAOYSA-N 2 1 390.535 3.561 20 0 GHADMP CCN1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374846822 927596284 /nfs/dbraw/zinc/59/62/84/927596284.db2.gz SAVGTAAYSYTERN-AZUAARDMSA-N 2 1 380.458 3.814 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000751054573 928003674 /nfs/dbraw/zinc/00/36/74/928003674.db2.gz MTBNUCZTALCUTB-MHJFOBGBSA-N 2 1 377.960 3.856 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000375276578 928114760 /nfs/dbraw/zinc/11/47/60/928114760.db2.gz UPZYUAISVSBYTM-HVXWDBPDSA-N 2 1 394.563 3.908 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000543869611 928515003 /nfs/dbraw/zinc/51/50/03/928515003.db2.gz BSFVOHKSAPSAHE-QFIPXVFZSA-N 2 1 389.559 3.979 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC(=O)Nc4ccccc43)CC2)cs1 ZINC000544359704 929089320 /nfs/dbraw/zinc/08/93/20/929089320.db2.gz JMPYVALUYQNXLZ-IBGZPJMESA-N 2 1 398.576 3.981 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000544421602 929159801 /nfs/dbraw/zinc/15/98/01/929159801.db2.gz MOKMHDIBMVDTBZ-UEXGIBASSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000544421602 929159805 /nfs/dbraw/zinc/15/98/05/929159805.db2.gz MOKMHDIBMVDTBZ-UEXGIBASSA-N 2 1 387.543 3.872 20 0 GHADMP CC[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000544680888 929436663 /nfs/dbraw/zinc/43/66/63/929436663.db2.gz MJBKCFWJWPOBTQ-QFIPXVFZSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000545904025 929659672 /nfs/dbraw/zinc/65/96/72/929659672.db2.gz KGMWDHJSGXAELZ-UHFFFAOYSA-N 2 1 399.292 3.563 20 0 GHADMP CCc1cccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000469723026 930111304 /nfs/dbraw/zinc/11/13/04/930111304.db2.gz LKPSKCJFUPIPJQ-UHFFFAOYSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000546887720 930511443 /nfs/dbraw/zinc/51/14/43/930511443.db2.gz GECNUSPCHOMLBD-JTSKRJEESA-N 2 1 399.966 3.901 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000781337788 930801164 /nfs/dbraw/zinc/80/11/64/930801164.db2.gz LMBUJGZUSDJZPI-MAUKXSAKSA-N 2 1 387.515 3.756 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000781337788 930801168 /nfs/dbraw/zinc/80/11/68/930801168.db2.gz LMBUJGZUSDJZPI-MAUKXSAKSA-N 2 1 387.515 3.756 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000781920908 931030517 /nfs/dbraw/zinc/03/05/17/931030517.db2.gz BDHZBCYIPBUTBC-SUMWQHHRSA-N 2 1 394.346 3.993 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557535057 931525217 /nfs/dbraw/zinc/52/52/17/931525217.db2.gz PHFBVDBTYPJVEH-BRWVUGGUSA-N 2 1 391.522 3.524 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557535057 931525222 /nfs/dbraw/zinc/52/52/22/931525222.db2.gz PHFBVDBTYPJVEH-BRWVUGGUSA-N 2 1 391.522 3.524 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557535057 931525230 /nfs/dbraw/zinc/52/52/30/931525230.db2.gz PHFBVDBTYPJVEH-BRWVUGGUSA-N 2 1 391.522 3.524 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccnn1CC1CCC1 ZINC000924776357 931533660 /nfs/dbraw/zinc/53/36/60/931533660.db2.gz LUQXZCGJVVAOEU-RBUKOAKNSA-N 2 1 382.552 3.755 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccnn1CC1CCC1 ZINC000924776357 931533664 /nfs/dbraw/zinc/53/36/64/931533664.db2.gz LUQXZCGJVVAOEU-RBUKOAKNSA-N 2 1 382.552 3.755 20 0 GHADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000924930771 931588667 /nfs/dbraw/zinc/58/86/67/931588667.db2.gz YGYCHZZVAWFZEP-OAQYLSRUSA-N 2 1 399.535 3.640 20 0 GHADMP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000924930771 931588670 /nfs/dbraw/zinc/58/86/70/931588670.db2.gz YGYCHZZVAWFZEP-OAQYLSRUSA-N 2 1 399.535 3.640 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1F ZINC000925749189 931892070 /nfs/dbraw/zinc/89/20/70/931892070.db2.gz VEJFPAMHNNVVKB-YOEHRIQHSA-N 2 1 375.513 3.834 20 0 GHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000925780795 931901295 /nfs/dbraw/zinc/90/12/95/931901295.db2.gz GWZZZZKLMQMTDF-KBMXLJTQSA-N 2 1 389.284 3.504 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000558316556 931938371 /nfs/dbraw/zinc/93/83/71/931938371.db2.gz LLXJFMUAUKAURU-UNMCSNQZSA-N 2 1 388.600 3.517 20 0 GHADMP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC000558400361 931981511 /nfs/dbraw/zinc/98/15/11/931981511.db2.gz OIOYIFMGHLDTGP-UHFFFAOYSA-N 2 1 397.357 3.535 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(-c2ccncc2)ccc1OC ZINC000558419201 931991880 /nfs/dbraw/zinc/99/18/80/931991880.db2.gz KGEXOVDRUNJAAN-HSZRJFAPSA-N 2 1 396.579 3.605 20 0 GHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000558819271 932253272 /nfs/dbraw/zinc/25/32/72/932253272.db2.gz UWEQODUYSNBQIJ-KRWDZBQOSA-N 2 1 383.561 3.521 20 0 GHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000558819271 932253274 /nfs/dbraw/zinc/25/32/74/932253274.db2.gz UWEQODUYSNBQIJ-KRWDZBQOSA-N 2 1 383.561 3.521 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c[nH]1 ZINC000926769745 932298504 /nfs/dbraw/zinc/29/85/04/932298504.db2.gz KJODKOWVRINJPL-MTBCEAFUSA-N 2 1 393.531 3.793 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC1 ZINC000927125312 932423835 /nfs/dbraw/zinc/42/38/35/932423835.db2.gz CJXFUHRNGRQIMD-UHGJSFDGSA-N 2 1 387.568 3.685 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000798108914 932534587 /nfs/dbraw/zinc/53/45/87/932534587.db2.gz JVWCAEMHZPMBFJ-QETWGEEDSA-N 2 1 390.616 3.880 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000798934020 932822110 /nfs/dbraw/zinc/82/21/10/932822110.db2.gz BAKTZIZSWGTUCM-MBSDFSHPSA-N 2 1 377.536 3.909 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000798934020 932822118 /nfs/dbraw/zinc/82/21/18/932822118.db2.gz BAKTZIZSWGTUCM-MBSDFSHPSA-N 2 1 377.536 3.909 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000798935683 932823043 /nfs/dbraw/zinc/82/30/43/932823043.db2.gz RPYAHRPUMIGKPI-SBHAEUEKSA-N 2 1 394.506 3.855 20 0 GHADMP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798935183 932823287 /nfs/dbraw/zinc/82/32/87/932823287.db2.gz NBTGDTCOHMJEJM-DVECYGJZSA-N 2 1 395.547 3.914 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936086 932824545 /nfs/dbraw/zinc/82/45/45/932824545.db2.gz XJHFNESKWLOOQX-RPBOFIJWSA-N 2 1 391.559 3.982 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000798956408 932838480 /nfs/dbraw/zinc/83/84/80/932838480.db2.gz WKBJOMAPGADRNF-UHFFFAOYSA-N 2 1 399.501 3.535 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cnc12 ZINC000798957281 932839592 /nfs/dbraw/zinc/83/95/92/932839592.db2.gz QHPLKAQFHOQJKC-UHFFFAOYSA-N 2 1 391.357 3.713 20 0 GHADMP Cc1cc(Br)cn2c(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)cnc12 ZINC000798957281 932839598 /nfs/dbraw/zinc/83/95/98/932839598.db2.gz QHPLKAQFHOQJKC-UHFFFAOYSA-N 2 1 391.357 3.713 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000799177581 932899181 /nfs/dbraw/zinc/89/91/81/932899181.db2.gz WKKMTQXCQWBCEO-DEOSSOPVSA-N 2 1 389.392 3.909 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC[S@](=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000799177581 932899190 /nfs/dbraw/zinc/89/91/90/932899190.db2.gz WKKMTQXCQWBCEO-DEOSSOPVSA-N 2 1 389.392 3.909 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(I)cc3)C2)CC1 ZINC000799177988 932899405 /nfs/dbraw/zinc/89/94/05/932899405.db2.gz CREIGBFUOBFKLQ-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP C[C@H](Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777686819 932924209 /nfs/dbraw/zinc/92/42/09/932924209.db2.gz DXYHCFRHYQQFFF-RDPSFJRHSA-N 2 1 397.563 3.719 20 0 GHADMP C[C@H](Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777686819 932924219 /nfs/dbraw/zinc/92/42/19/932924219.db2.gz DXYHCFRHYQQFFF-RDPSFJRHSA-N 2 1 397.563 3.719 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3[C@@H](C)c3ccccc3)CC2)CC1 ZINC000928387513 932960476 /nfs/dbraw/zinc/96/04/76/932960476.db2.gz WBZZKGMOGXWDDM-RDPSFJRHSA-N 2 1 397.607 3.977 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1(C)C ZINC000799726308 933100860 /nfs/dbraw/zinc/10/08/60/933100860.db2.gz NBCHLNBROKEMMB-SFHVURJKSA-N 2 1 383.552 3.994 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000560482178 933282645 /nfs/dbraw/zinc/28/26/45/933282645.db2.gz LDMNDORLJUEDRS-NQIIRXRSSA-N 2 1 385.577 3.640 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000560482178 933282648 /nfs/dbraw/zinc/28/26/48/933282648.db2.gz LDMNDORLJUEDRS-NQIIRXRSSA-N 2 1 385.577 3.640 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531004 933315814 /nfs/dbraw/zinc/31/58/14/933315814.db2.gz VYJGSRFODIGAHU-HTZUNMPGSA-N 2 1 385.533 3.813 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000560570616 933352682 /nfs/dbraw/zinc/35/26/82/933352682.db2.gz PGKXADKVNCWTFZ-GOSISDBHSA-N 2 1 383.540 3.520 20 0 GHADMP CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089173 933826052 /nfs/dbraw/zinc/82/60/52/933826052.db2.gz JEXVYWAXFRDYLM-NOZRDPDXSA-N 2 1 393.575 3.702 20 0 GHADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089173 933826059 /nfs/dbraw/zinc/82/60/59/933826059.db2.gz JEXVYWAXFRDYLM-NOZRDPDXSA-N 2 1 393.575 3.702 20 0 GHADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089173 933826063 /nfs/dbraw/zinc/82/60/63/933826063.db2.gz JEXVYWAXFRDYLM-NOZRDPDXSA-N 2 1 393.575 3.702 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001117714681 933993747 /nfs/dbraw/zinc/99/37/47/933993747.db2.gz JNOQBJYWWOXIOL-XKYYZAJSSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117714681 933993751 /nfs/dbraw/zinc/99/37/51/933993751.db2.gz JNOQBJYWWOXIOL-XKYYZAJSSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117714681 933993755 /nfs/dbraw/zinc/99/37/55/933993755.db2.gz JNOQBJYWWOXIOL-XKYYZAJSSA-N 2 1 398.595 3.554 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581047 934286280 /nfs/dbraw/zinc/28/62/80/934286280.db2.gz KSAOMJIOARPVQK-OXJNMPFZSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581047 934286291 /nfs/dbraw/zinc/28/62/91/934286291.db2.gz KSAOMJIOARPVQK-OXJNMPFZSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581047 934286299 /nfs/dbraw/zinc/28/62/99/934286299.db2.gz KSAOMJIOARPVQK-OXJNMPFZSA-N 2 1 392.975 3.506 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc(OC)c1OCC(F)F ZINC001119988974 934430941 /nfs/dbraw/zinc/43/09/41/934430941.db2.gz MNCBXKIUEULFTE-GVDBMIGSSA-N 2 1 398.494 3.510 20 0 GHADMP C[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000561976302 934601925 /nfs/dbraw/zinc/60/19/25/934601925.db2.gz AASWCFYLBLTMJW-MRXNPFEDSA-N 2 1 382.390 3.510 20 0 GHADMP C[N@@H+]1CCCC12CC[NH+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000828127297 935582860 /nfs/dbraw/zinc/58/28/60/935582860.db2.gz KPCHBFPYTRQAQL-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CCCC12CC[NH+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000828127297 935582865 /nfs/dbraw/zinc/58/28/65/935582865.db2.gz KPCHBFPYTRQAQL-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP c1ccc([C@@H]2CC[NH+](Cc3cncc(C[N@H+]4CC[C@@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448754 935810703 /nfs/dbraw/zinc/81/07/03/935810703.db2.gz DENLNXJRPMCMLR-DHIUTWEWSA-N 2 1 399.542 3.851 20 0 GHADMP Fc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)c1F ZINC001137938400 935880926 /nfs/dbraw/zinc/88/09/26/935880926.db2.gz GVXUKFJCHPTZRW-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1F ZINC001137938400 935880928 /nfs/dbraw/zinc/88/09/28/935880928.db2.gz GVXUKFJCHPTZRW-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001138050164 935954257 /nfs/dbraw/zinc/95/42/57/935954257.db2.gz GQISVFYOLQUNMV-DLBZAZTESA-N 2 1 375.866 3.569 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171485067 1014964996 /nfs/dbraw/zinc/96/49/96/1014964996.db2.gz TVKWDTYVMDJORK-TXTKFYIRSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171485067 1014964997 /nfs/dbraw/zinc/96/49/97/1014964997.db2.gz TVKWDTYVMDJORK-TXTKFYIRSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171485067 1014965002 /nfs/dbraw/zinc/96/50/02/1014965002.db2.gz TVKWDTYVMDJORK-TXTKFYIRSA-N 2 1 390.518 3.502 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3C[NH+]4CCC3CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001182012563 1014968396 /nfs/dbraw/zinc/96/83/96/1014968396.db2.gz ZBMIWGTUOCUMJA-NHCUHLMSSA-N 2 1 375.516 3.544 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001226748479 1032109916 /nfs/dbraw/zinc/10/99/16/1032109916.db2.gz VYGHCURASAOVII-FGZHOGPDSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001226748479 1032109931 /nfs/dbraw/zinc/10/99/31/1032109931.db2.gz VYGHCURASAOVII-FGZHOGPDSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001226748479 1032109941 /nfs/dbraw/zinc/10/99/41/1032109941.db2.gz VYGHCURASAOVII-FGZHOGPDSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001226748480 1032110035 /nfs/dbraw/zinc/11/00/35/1032110035.db2.gz VYGHCURASAOVII-VXKWHMMOSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001226748480 1032110037 /nfs/dbraw/zinc/11/00/37/1032110037.db2.gz VYGHCURASAOVII-VXKWHMMOSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001226748480 1032110046 /nfs/dbraw/zinc/11/00/46/1032110046.db2.gz VYGHCURASAOVII-VXKWHMMOSA-N 2 1 392.632 3.985 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000468015047 1015144459 /nfs/dbraw/zinc/14/44/59/1015144459.db2.gz ATQAIHHXKQPOLP-RZUBCFFCSA-N 2 1 388.600 3.735 20 0 GHADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468024293 1015158178 /nfs/dbraw/zinc/15/81/78/1015158178.db2.gz KIVIKBJPTFJSNE-QKNQBKEWSA-N 2 1 386.584 3.535 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468114292 1015283295 /nfs/dbraw/zinc/28/32/95/1015283295.db2.gz XJENVTZHQOCCSH-AGILITTLSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468114292 1015283304 /nfs/dbraw/zinc/28/33/04/1015283304.db2.gz XJENVTZHQOCCSH-AGILITTLSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000468114292 1015283310 /nfs/dbraw/zinc/28/33/10/1015283310.db2.gz XJENVTZHQOCCSH-AGILITTLSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000468114292 1015283317 /nfs/dbraw/zinc/28/33/17/1015283317.db2.gz XJENVTZHQOCCSH-AGILITTLSA-N 2 1 391.559 3.993 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000468514498 1015768963 /nfs/dbraw/zinc/76/89/63/1015768963.db2.gz HDXFKDYBJHGFPB-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000545473499 1015913100 /nfs/dbraw/zinc/91/31/00/1015913100.db2.gz MICQQFUDTAQABN-AGHHOFFYSA-N 2 1 399.966 3.627 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000468992960 1016316396 /nfs/dbraw/zinc/31/63/96/1016316396.db2.gz MVRBGEOZOKMZNV-CVEARBPZSA-N 2 1 379.346 3.534 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)Cc1ccccc1 ZINC001220861602 1032157702 /nfs/dbraw/zinc/15/77/02/1032157702.db2.gz ZJTPHWOAZUVANP-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC001220861602 1032157703 /nfs/dbraw/zinc/15/77/03/1032157703.db2.gz ZJTPHWOAZUVANP-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC001220861602 1032157710 /nfs/dbraw/zinc/15/77/10/1032157710.db2.gz ZJTPHWOAZUVANP-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001220879759 1032168783 /nfs/dbraw/zinc/16/87/83/1032168783.db2.gz DVNZCNDBCFJPTF-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1cccc2ccccc21 ZINC001220918851 1032190844 /nfs/dbraw/zinc/19/08/44/1032190844.db2.gz IZZMJOWXGFTCPG-NHCUHLMSSA-N 2 1 379.548 3.623 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCC[NH+](C)C1CCCC1 ZINC001227108757 1032272336 /nfs/dbraw/zinc/27/23/36/1032272336.db2.gz MPMANXJQLRCWEX-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC001227108757 1032272347 /nfs/dbraw/zinc/27/23/47/1032272347.db2.gz MPMANXJQLRCWEX-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC001227108757 1032272357 /nfs/dbraw/zinc/27/23/57/1032272357.db2.gz MPMANXJQLRCWEX-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001221130636 1032299224 /nfs/dbraw/zinc/29/92/24/1032299224.db2.gz AICVRVZEFACELL-HSZRJFAPSA-N 2 1 398.595 3.879 20 0 GHADMP C[N@@H+](CCC(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)Cc1ccccc1 ZINC001221204187 1032329311 /nfs/dbraw/zinc/32/93/11/1032329311.db2.gz HTAOFEYUKOEFPA-QHCPKHFHSA-N 2 1 397.538 3.895 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C[NH+]1CCCCC1 ZINC001221251916 1032349424 /nfs/dbraw/zinc/34/94/24/1032349424.db2.gz DPHDGIYYPRNRCA-LEWJYISDSA-N 2 1 392.632 3.795 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC001221397080 1032395034 /nfs/dbraw/zinc/39/50/34/1032395034.db2.gz FCWZFTOWQAOIKO-DQEYMECFSA-N 2 1 399.538 3.690 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC001221397080 1032395048 /nfs/dbraw/zinc/39/50/48/1032395048.db2.gz FCWZFTOWQAOIKO-DQEYMECFSA-N 2 1 399.538 3.690 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001221508843 1032440904 /nfs/dbraw/zinc/44/09/04/1032440904.db2.gz LUZPFGFPTIOUIJ-HSZRJFAPSA-N 2 1 398.595 3.879 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccco1 ZINC001221546677 1032456720 /nfs/dbraw/zinc/45/67/20/1032456720.db2.gz CEFMWMWCICJEMU-LEWJYISDSA-N 2 1 398.551 3.545 20 0 GHADMP c1cc2c(ncnc2NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)s1 ZINC001155359141 1032516959 /nfs/dbraw/zinc/51/69/59/1032516959.db2.gz XHNXGCZZBCCONW-SFHVURJKSA-N 2 1 393.560 3.605 20 0 GHADMP Fc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2[nH]ccc21 ZINC001155361504 1032518821 /nfs/dbraw/zinc/51/88/21/1032518821.db2.gz ARYCKDBBZYZCRE-SFHVURJKSA-N 2 1 393.510 3.616 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001155390750 1032529190 /nfs/dbraw/zinc/52/91/90/1032529190.db2.gz REDGDPSXKDXTNB-RTWAWAEBSA-N 2 1 386.584 3.979 20 0 GHADMP C(c1nc2sc3c(c2c(N[C@@]24CCC[C@@H]2[NH2+]CC4)n1)CCCC3)[NH+]1CCCC1 ZINC001155410504 1032532763 /nfs/dbraw/zinc/53/27/63/1032532763.db2.gz HXZQTOAYGVWWGR-HTAPYJJXSA-N 2 1 397.592 3.862 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1C[NH+]1CCCCC1 ZINC000925784825 1017148049 /nfs/dbraw/zinc/14/80/49/1017148049.db2.gz SNZLYKYUPZLPTR-QFBILLFUSA-N 3 1 381.511 3.577 20 0 GHADMP CSc1ccc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)s1 ZINC000558567368 1017230190 /nfs/dbraw/zinc/23/01/90/1017230190.db2.gz VJYLCADCZGLBBI-UHFFFAOYSA-N 2 1 391.606 3.733 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1C ZINC001204354190 1032792830 /nfs/dbraw/zinc/79/28/30/1032792830.db2.gz ZFHKZOBUQCITMN-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1C ZINC001204354190 1032792844 /nfs/dbraw/zinc/79/28/44/1032792844.db2.gz ZFHKZOBUQCITMN-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1C ZINC001204354190 1032792854 /nfs/dbraw/zinc/79/28/54/1032792854.db2.gz ZFHKZOBUQCITMN-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1C ZINC001204354190 1032792864 /nfs/dbraw/zinc/79/28/64/1032792864.db2.gz ZFHKZOBUQCITMN-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001228120886 1032796726 /nfs/dbraw/zinc/79/67/26/1032796726.db2.gz XMOLPLDNJMHOTB-PKTZIBPZSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001228120886 1032796742 /nfs/dbraw/zinc/79/67/42/1032796742.db2.gz XMOLPLDNJMHOTB-PKTZIBPZSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001228120886 1032796760 /nfs/dbraw/zinc/79/67/60/1032796760.db2.gz XMOLPLDNJMHOTB-PKTZIBPZSA-N 2 1 398.595 3.747 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CCN(Cc2ccc(OC(F)F)cc2)CC3)cn1 ZINC001204420513 1032850720 /nfs/dbraw/zinc/85/07/20/1032850720.db2.gz JJOWPJNPNQXZOU-UHFFFAOYSA-N 2 1 390.478 3.652 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(Cl)s3)O2)CC1 ZINC001204443602 1032882311 /nfs/dbraw/zinc/88/23/11/1032882311.db2.gz ZCCUYWYWLKJWFA-BHIYHBOVSA-N 2 1 399.000 3.882 20 0 GHADMP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1COc2ccccc2O1 ZINC000578047639 1020309928 /nfs/dbraw/zinc/30/99/28/1020309928.db2.gz MXJKXMULJDLQPK-FQEVSTJZSA-N 2 1 378.476 3.628 20 0 GHADMP CCC[C@@]1(CO)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000579036552 1020382510 /nfs/dbraw/zinc/38/25/10/1020382510.db2.gz ZQJYIJGQCVWJEK-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CCC[C@@]1(CO)CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@](CO)(CCC)C2)C1 ZINC000579036552 1020382524 /nfs/dbraw/zinc/38/25/24/1020382524.db2.gz ZQJYIJGQCVWJEK-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CCC[C@@]1(CO)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@](CO)(CCC)C2)C1 ZINC000579036552 1020382534 /nfs/dbraw/zinc/38/25/34/1020382534.db2.gz ZQJYIJGQCVWJEK-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP Cc1c(F)cccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001204509685 1032939298 /nfs/dbraw/zinc/93/92/98/1032939298.db2.gz BNSNRAUARGSWJE-GIWBLDEGSA-N 2 1 382.527 3.706 20 0 GHADMP Cc1c(F)cccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001204509685 1032939302 /nfs/dbraw/zinc/93/93/02/1032939302.db2.gz BNSNRAUARGSWJE-GIWBLDEGSA-N 2 1 382.527 3.706 20 0 GHADMP Cc1c(F)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001204509685 1032939304 /nfs/dbraw/zinc/93/93/04/1032939304.db2.gz BNSNRAUARGSWJE-GIWBLDEGSA-N 2 1 382.527 3.706 20 0 GHADMP Cc1c(F)cccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001204509685 1032939310 /nfs/dbraw/zinc/93/93/10/1032939310.db2.gz BNSNRAUARGSWJE-GIWBLDEGSA-N 2 1 382.527 3.706 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4-c4cnc(N)nc4)C[C@@H]3C2)cc1 ZINC001140321587 1021393131 /nfs/dbraw/zinc/39/31/31/1021393131.db2.gz CCUCWLIVNAGBKF-ZRZAMGCNSA-N 2 1 399.542 3.598 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4-c4cnc(N)nc4)C[C@@H]3C2)cc1 ZINC001140321587 1021393147 /nfs/dbraw/zinc/39/31/47/1021393147.db2.gz CCUCWLIVNAGBKF-ZRZAMGCNSA-N 2 1 399.542 3.598 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4-c4cnc(N)nc4)C[C@@H]3C2)cc1 ZINC001140321587 1021393168 /nfs/dbraw/zinc/39/31/68/1021393168.db2.gz CCUCWLIVNAGBKF-ZRZAMGCNSA-N 2 1 399.542 3.598 20 0 GHADMP C[NH+]1CCC2(C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4cccc(O)c34)C2)CC1 ZINC001140362937 1021498426 /nfs/dbraw/zinc/49/84/26/1021498426.db2.gz ZOICKPRFAXIGST-UHFFFAOYSA-N 2 1 385.508 3.658 20 0 GHADMP Cn1cnc2cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)ccc21 ZINC001140506747 1021889814 /nfs/dbraw/zinc/88/98/14/1021889814.db2.gz BZNXRHPBAZQBJV-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP Cn1cnc2cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)ccc21 ZINC001140506747 1021889831 /nfs/dbraw/zinc/88/98/31/1021889831.db2.gz BZNXRHPBAZQBJV-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285007 1021915684 /nfs/dbraw/zinc/91/56/84/1021915684.db2.gz LIDSARYLARXWPR-FQEVSTJZSA-N 2 1 390.959 3.518 20 0 GHADMP O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801457 1022570171 /nfs/dbraw/zinc/57/01/71/1022570171.db2.gz OJNYPQAGDOPFCN-NRFANRHFSA-N 2 1 380.517 3.753 20 0 GHADMP O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801457 1022570177 /nfs/dbraw/zinc/57/01/77/1022570177.db2.gz OJNYPQAGDOPFCN-NRFANRHFSA-N 2 1 380.517 3.753 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1[nH]cc(C)c1C)CC2 ZINC001140860901 1022722944 /nfs/dbraw/zinc/72/29/44/1022722944.db2.gz XWVYXLHUOLGRSF-GOSISDBHSA-N 2 1 388.581 3.591 20 0 GHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140976233 1023061080 /nfs/dbraw/zinc/06/10/80/1023061080.db2.gz HODXAIPOROZYQL-JOCHJYFZSA-N 2 1 393.531 3.562 20 0 GHADMP COc1ccc(-n2ccn(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2=S)cc1 ZINC000755777171 1023372784 /nfs/dbraw/zinc/37/27/84/1023372784.db2.gz ANBFQPZNJPDEAM-GOSISDBHSA-N 2 1 386.565 3.638 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC001141198464 1024106792 /nfs/dbraw/zinc/10/67/92/1024106792.db2.gz FOIZOMYCEKISOH-UHFFFAOYSA-N 2 1 387.955 3.598 20 0 GHADMP C[N@H+]1CCc2cc(OC[C@H]3C[NH+](Cc4ccccc4)CC(C)(C)O3)ccc2C1 ZINC001228943001 1033192998 /nfs/dbraw/zinc/19/29/98/1033192998.db2.gz CHTADPFFABYYQA-HSZRJFAPSA-N 2 1 380.532 3.733 20 0 GHADMP C[NH+]1CCc2cc(OC[C@H]3C[N@H+](Cc4ccccc4)CC(C)(C)O3)ccc2C1 ZINC001228943001 1033193001 /nfs/dbraw/zinc/19/30/01/1033193001.db2.gz CHTADPFFABYYQA-HSZRJFAPSA-N 2 1 380.532 3.733 20 0 GHADMP C[NH+]1CCc2cc(OC[C@H]3C[N@@H+](Cc4ccccc4)CC(C)(C)O3)ccc2C1 ZINC001228943001 1033193008 /nfs/dbraw/zinc/19/30/08/1033193008.db2.gz CHTADPFFABYYQA-HSZRJFAPSA-N 2 1 380.532 3.733 20 0 GHADMP c1cn(-c2cccc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2)cn1 ZINC001141242430 1024246608 /nfs/dbraw/zinc/24/66/08/1024246608.db2.gz VNFWJFLQLUSWAQ-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831022382 1024312971 /nfs/dbraw/zinc/31/29/71/1024312971.db2.gz XSRGODJFUUQLDG-AEFFLSMTSA-N 2 1 376.545 3.739 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2I)CC1 ZINC001138210634 1024369648 /nfs/dbraw/zinc/36/96/48/1024369648.db2.gz KESFUXRAVFHXNC-UHFFFAOYSA-N 2 1 386.321 3.843 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001205026182 1033218588 /nfs/dbraw/zinc/21/85/88/1033218588.db2.gz MNVSGCYVGMYUDC-UHFFFAOYSA-N 2 1 375.438 3.626 20 0 GHADMP FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001205026182 1033218597 /nfs/dbraw/zinc/21/85/97/1033218597.db2.gz MNVSGCYVGMYUDC-UHFFFAOYSA-N 2 1 375.438 3.626 20 0 GHADMP COc1ccsc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001141323055 1024550969 /nfs/dbraw/zinc/55/09/69/1024550969.db2.gz LRHOBBHWQITSES-KNQAVFIVSA-N 2 1 390.593 3.717 20 0 GHADMP COc1ccsc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001141323055 1024550976 /nfs/dbraw/zinc/55/09/76/1024550976.db2.gz LRHOBBHWQITSES-KNQAVFIVSA-N 2 1 390.593 3.717 20 0 GHADMP COc1ccsc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001141323055 1024550980 /nfs/dbraw/zinc/55/09/80/1024550980.db2.gz LRHOBBHWQITSES-KNQAVFIVSA-N 2 1 390.593 3.717 20 0 GHADMP COc1ccsc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001141323055 1024550985 /nfs/dbraw/zinc/55/09/85/1024550985.db2.gz LRHOBBHWQITSES-KNQAVFIVSA-N 2 1 390.593 3.717 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001138437492 1024848781 /nfs/dbraw/zinc/84/87/81/1024848781.db2.gz NKULTFZLQLZEKJ-FGZHOGPDSA-N 2 1 380.532 3.884 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138440432 1024855447 /nfs/dbraw/zinc/85/54/47/1024855447.db2.gz GWGBGQQCCYQYKG-UNMCSNQZSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138440432 1024855463 /nfs/dbraw/zinc/85/54/63/1024855463.db2.gz GWGBGQQCCYQYKG-UNMCSNQZSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138440432 1024855478 /nfs/dbraw/zinc/85/54/78/1024855478.db2.gz GWGBGQQCCYQYKG-UNMCSNQZSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138440432 1024855484 /nfs/dbraw/zinc/85/54/84/1024855484.db2.gz GWGBGQQCCYQYKG-UNMCSNQZSA-N 2 1 380.532 3.966 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)cc1 ZINC001138550450 1024999255 /nfs/dbraw/zinc/99/92/55/1024999255.db2.gz UCTIBEBFTNNNMH-OAQYLSRUSA-N 2 1 392.478 3.714 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)cc1 ZINC001138550450 1024999261 /nfs/dbraw/zinc/99/92/61/1024999261.db2.gz UCTIBEBFTNNNMH-OAQYLSRUSA-N 2 1 392.478 3.714 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1c1ccccc1 ZINC001138551814 1025005759 /nfs/dbraw/zinc/00/57/59/1025005759.db2.gz NSMROIYTDCMAGA-FCHUYYIVSA-N 2 1 375.472 3.569 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1c1ccccc1 ZINC001138551814 1025005770 /nfs/dbraw/zinc/00/57/70/1025005770.db2.gz NSMROIYTDCMAGA-FCHUYYIVSA-N 2 1 375.472 3.569 20 0 GHADMP C[N@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CCC1(C)C ZINC001229069806 1033261815 /nfs/dbraw/zinc/26/18/15/1033261815.db2.gz NOYQKNTYDXJFGH-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1(C)C ZINC001229069806 1033261823 /nfs/dbraw/zinc/26/18/23/1033261823.db2.gz NOYQKNTYDXJFGH-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1(C)C ZINC001229069806 1033261834 /nfs/dbraw/zinc/26/18/34/1033261834.db2.gz NOYQKNTYDXJFGH-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001138720567 1025245534 /nfs/dbraw/zinc/24/55/34/1025245534.db2.gz QPTGVQQAYBCBKS-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP c1cc2cc(CN3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)cnc2[nH]1 ZINC001138744872 1025285688 /nfs/dbraw/zinc/28/56/88/1025285688.db2.gz XGEQUQVWDGLOQI-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)cnc2[nH]1 ZINC001138744872 1025285690 /nfs/dbraw/zinc/28/56/90/1025285690.db2.gz XGEQUQVWDGLOQI-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)cnc2[nH]1 ZINC001138744872 1025285693 /nfs/dbraw/zinc/28/56/93/1025285693.db2.gz XGEQUQVWDGLOQI-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)cnc2[nH]1 ZINC001138744872 1025285696 /nfs/dbraw/zinc/28/56/96/1025285696.db2.gz XGEQUQVWDGLOQI-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)cnc2[nH]1 ZINC001138744872 1025285700 /nfs/dbraw/zinc/28/57/00/1025285700.db2.gz XGEQUQVWDGLOQI-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138769846 1025338588 /nfs/dbraw/zinc/33/85/88/1025338588.db2.gz KZWUUSOXJBMWKG-UHFFFAOYSA-N 2 1 384.520 3.582 20 0 GHADMP CCN(CC)c1ncc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802052 1025389795 /nfs/dbraw/zinc/38/97/95/1025389795.db2.gz AZNUPCLSHZPNJK-VQTJNVASSA-N 2 1 384.593 3.943 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000838918907 1025443290 /nfs/dbraw/zinc/44/32/90/1025443290.db2.gz XEQDUJSEOXCSTD-KRWDZBQOSA-N 2 1 393.597 3.855 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000838918907 1025443299 /nfs/dbraw/zinc/44/32/99/1025443299.db2.gz XEQDUJSEOXCSTD-KRWDZBQOSA-N 2 1 393.597 3.855 20 0 GHADMP C[C@@H](C(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001161896646 1025481286 /nfs/dbraw/zinc/48/12/86/1025481286.db2.gz PGMIZAJJUHWHNA-ZCNNSNEGSA-N 2 1 379.548 3.743 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc(Br)c1O ZINC000839073238 1025567707 /nfs/dbraw/zinc/56/77/07/1025567707.db2.gz JQDNRNBFCZZCCC-UHFFFAOYSA-N 2 1 397.357 3.861 20 0 GHADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(-c4cccs4)s3)CC[C@@H]21 ZINC001139018897 1025778788 /nfs/dbraw/zinc/77/87/88/1025778788.db2.gz NIOOXLQDWBGMSD-RYRKJORJSA-N 2 1 399.589 3.663 20 0 GHADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)s3)CC[C@@H]21 ZINC001139018897 1025778805 /nfs/dbraw/zinc/77/88/05/1025778805.db2.gz NIOOXLQDWBGMSD-RYRKJORJSA-N 2 1 399.589 3.663 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC001141630382 1025958987 /nfs/dbraw/zinc/95/89/87/1025958987.db2.gz PPASTLZSNSTZGO-CVDCTZTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC001141630382 1025958989 /nfs/dbraw/zinc/95/89/89/1025958989.db2.gz PPASTLZSNSTZGO-CVDCTZTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC001141630382 1025958994 /nfs/dbraw/zinc/95/89/94/1025958994.db2.gz PPASTLZSNSTZGO-CVDCTZTESA-N 2 1 383.580 3.942 20 0 GHADMP Cc1[nH]c2ccc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2[nH+]1 ZINC001162935288 1025972454 /nfs/dbraw/zinc/97/24/54/1025972454.db2.gz QZYPHYRFYHOLLI-FQEVSTJZSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1nc2cc(NC[C@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc2[nH]1 ZINC001162935288 1025972457 /nfs/dbraw/zinc/97/24/57/1025972457.db2.gz QZYPHYRFYHOLLI-FQEVSTJZSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1nc2cc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc2[nH]1 ZINC001162935288 1025972462 /nfs/dbraw/zinc/97/24/62/1025972462.db2.gz QZYPHYRFYHOLLI-FQEVSTJZSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c21 ZINC001139196033 1026037775 /nfs/dbraw/zinc/03/77/75/1026037775.db2.gz WZNQCGCZAVHSDB-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP Cc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c21 ZINC001139196033 1026037783 /nfs/dbraw/zinc/03/77/83/1026037783.db2.gz WZNQCGCZAVHSDB-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2C1 ZINC001461053745 1069363614 /nfs/dbraw/zinc/36/36/14/1069363614.db2.gz WSNUDJWRPXGMBS-SFTDATJTSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cc2C1 ZINC001461053745 1069363620 /nfs/dbraw/zinc/36/36/20/1069363620.db2.gz WSNUDJWRPXGMBS-SFTDATJTSA-N 2 1 385.552 3.696 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC001139211577 1026061300 /nfs/dbraw/zinc/06/13/00/1026061300.db2.gz NWLZYANRIKKENW-UHFFFAOYSA-N 2 1 393.560 3.963 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@H]21 ZINC001139212542 1026063704 /nfs/dbraw/zinc/06/37/04/1026063704.db2.gz GXZXUZSSKAVDFI-LRXVAGHRSA-N 2 1 393.560 3.819 20 0 GHADMP FC(F)(F)c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)[nH+]c2c1CCCCC2 ZINC001163276467 1026119010 /nfs/dbraw/zinc/11/90/10/1026119010.db2.gz AXXWVARQARMMIW-KUHUBIRLSA-N 2 1 383.458 3.940 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ccc(Cl)cc4)CC3)s2)CC1 ZINC001139322651 1026182914 /nfs/dbraw/zinc/18/29/14/1026182914.db2.gz XBKWYOKVHHKCDR-UHFFFAOYSA-N 2 1 390.984 3.928 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](CCc4ccccc4)C3)s2)CC1 ZINC001139326231 1026184458 /nfs/dbraw/zinc/18/44/58/1026184458.db2.gz NRKGECAHRSEJAC-HXUWFJFHSA-N 2 1 384.593 3.740 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](CCc4ccccc4)C3)s2)CC1 ZINC001139326231 1026184465 /nfs/dbraw/zinc/18/44/65/1026184465.db2.gz NRKGECAHRSEJAC-HXUWFJFHSA-N 2 1 384.593 3.740 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](CCc4ccccc4)C3)s2)CC1 ZINC001139326230 1026184936 /nfs/dbraw/zinc/18/49/36/1026184936.db2.gz NRKGECAHRSEJAC-FQEVSTJZSA-N 2 1 384.593 3.740 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](CCc4ccccc4)C3)s2)CC1 ZINC001139326230 1026184944 /nfs/dbraw/zinc/18/49/44/1026184944.db2.gz NRKGECAHRSEJAC-FQEVSTJZSA-N 2 1 384.593 3.740 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(NC[C@H]([NH3+])c2ccc(C(=O)OC)cc2)nc1 ZINC001163468214 1026206323 /nfs/dbraw/zinc/20/63/23/1026206323.db2.gz ZFVMPSTWBUGXLI-PMACEKPBSA-N 2 1 382.508 3.527 20 0 GHADMP C[N@@H+](Cc1ncc(Br)cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141676177 1026235553 /nfs/dbraw/zinc/23/55/53/1026235553.db2.gz KNOFXRJKKYZBJQ-UHFFFAOYSA-N 2 1 389.341 3.583 20 0 GHADMP C[N@H+](Cc1ncc(Br)cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141676177 1026235565 /nfs/dbraw/zinc/23/55/65/1026235565.db2.gz KNOFXRJKKYZBJQ-UHFFFAOYSA-N 2 1 389.341 3.583 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001163754594 1026303565 /nfs/dbraw/zinc/30/35/65/1026303565.db2.gz MUGJVOUDVUCOPQ-OYRHEFFESA-N 2 1 383.580 3.764 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[NH+](Cc3ccncc3)CC2)nc1 ZINC001163828731 1026330834 /nfs/dbraw/zinc/33/08/34/1026330834.db2.gz PIHVTCFAFJBBOI-JOCHJYFZSA-N 2 1 379.552 3.736 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[N@H+](Cc3ccncc3)CC2)nc1 ZINC001163828731 1026330841 /nfs/dbraw/zinc/33/08/41/1026330841.db2.gz PIHVTCFAFJBBOI-JOCHJYFZSA-N 2 1 379.552 3.736 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[N@@H+](Cc3ccncc3)CC2)nc1 ZINC001163828731 1026330850 /nfs/dbraw/zinc/33/08/50/1026330850.db2.gz PIHVTCFAFJBBOI-JOCHJYFZSA-N 2 1 379.552 3.736 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCC[C@@]34CCOC4)CC2)cc1 ZINC001139512765 1026367781 /nfs/dbraw/zinc/36/77/81/1026367781.db2.gz IHYSNPANEJHTPA-VWLOTQADSA-N 2 1 391.559 3.764 20 0 GHADMP CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccccc1N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001139513116 1026367991 /nfs/dbraw/zinc/36/79/91/1026367991.db2.gz MNMAZNVKTPILFV-ZCYQVOJMSA-N 2 1 391.559 3.762 20 0 GHADMP CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccccc1N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001139513116 1026368004 /nfs/dbraw/zinc/36/80/04/1026368004.db2.gz MNMAZNVKTPILFV-ZCYQVOJMSA-N 2 1 391.559 3.762 20 0 GHADMP C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513771 1026369303 /nfs/dbraw/zinc/36/93/03/1026369303.db2.gz BGCSSSRZKVXVOS-GGAORHGYSA-N 2 1 393.575 3.602 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH2+][C@@H](c5ccccc5)C4)ccc3C2)cc1 ZINC001165195614 1026657851 /nfs/dbraw/zinc/65/78/51/1026657851.db2.gz QDGUAZGGDFIBPL-XMMPIXPASA-N 2 1 384.527 3.791 20 0 GHADMP Cc1nccn1-c1ccccc1CN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC001140024974 1026812107 /nfs/dbraw/zinc/81/21/07/1026812107.db2.gz JLORDWHGMLXKJJ-GGAORHGYSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC001140024974 1026812109 /nfs/dbraw/zinc/81/21/09/1026812109.db2.gz JLORDWHGMLXKJJ-GGAORHGYSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC001140024974 1026812112 /nfs/dbraw/zinc/81/21/12/1026812112.db2.gz JLORDWHGMLXKJJ-GGAORHGYSA-N 2 1 388.515 3.518 20 0 GHADMP CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027567 1026817450 /nfs/dbraw/zinc/81/74/50/1026817450.db2.gz QJFQZKLAKSWODQ-FQEVSTJZSA-N 2 1 387.524 3.751 20 0 GHADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027567 1026817457 /nfs/dbraw/zinc/81/74/57/1026817457.db2.gz QJFQZKLAKSWODQ-FQEVSTJZSA-N 2 1 387.524 3.751 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC001461154439 1069415972 /nfs/dbraw/zinc/41/59/72/1069415972.db2.gz YMNJVDILHREXNB-SDUSCBPUSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001461154439 1069415981 /nfs/dbraw/zinc/41/59/81/1069415981.db2.gz YMNJVDILHREXNB-SDUSCBPUSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001461154439 1069415987 /nfs/dbraw/zinc/41/59/87/1069415987.db2.gz YMNJVDILHREXNB-SDUSCBPUSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001461154439 1069415993 /nfs/dbraw/zinc/41/59/93/1069415993.db2.gz YMNJVDILHREXNB-SDUSCBPUSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001461154439 1069415999 /nfs/dbraw/zinc/41/59/99/1069415999.db2.gz YMNJVDILHREXNB-SDUSCBPUSA-N 2 1 377.576 3.661 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171686 1069424529 /nfs/dbraw/zinc/42/45/29/1069424529.db2.gz OSBMRNCOFKWTFY-LSDHHAIUSA-N 2 1 381.483 3.542 20 0 GHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840240050 1027369724 /nfs/dbraw/zinc/36/97/24/1027369724.db2.gz HGNPCRXLTFZGDW-QFIPXVFZSA-N 2 1 388.552 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CCN(Cc2coc4ccc(F)cc24)CC3)cn1 ZINC001141851605 1027439976 /nfs/dbraw/zinc/43/99/76/1027439976.db2.gz XQDQSMBZLMQBCI-UHFFFAOYSA-N 2 1 382.483 3.936 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1F ZINC001203794068 1027607782 /nfs/dbraw/zinc/60/77/82/1027607782.db2.gz YGCUQNPVJKGYQZ-SFHVURJKSA-N 2 1 388.483 3.683 20 0 GHADMP COc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001203821847 1027635762 /nfs/dbraw/zinc/63/57/62/1027635762.db2.gz XJRQEZASYCKGMO-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001203821847 1027635766 /nfs/dbraw/zinc/63/57/66/1027635766.db2.gz XJRQEZASYCKGMO-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001203821847 1027635775 /nfs/dbraw/zinc/63/57/75/1027635775.db2.gz XJRQEZASYCKGMO-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001203821847 1027635778 /nfs/dbraw/zinc/63/57/78/1027635778.db2.gz XJRQEZASYCKGMO-UPVQGACJSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)cc1OC ZINC001203838141 1027646904 /nfs/dbraw/zinc/64/69/04/1027646904.db2.gz MWTKRCQUQAFELT-ILWGZMRPSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1OC ZINC001203838141 1027646915 /nfs/dbraw/zinc/64/69/15/1027646915.db2.gz MWTKRCQUQAFELT-ILWGZMRPSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1OC ZINC001203838141 1027646924 /nfs/dbraw/zinc/64/69/24/1027646924.db2.gz MWTKRCQUQAFELT-ILWGZMRPSA-N 2 1 395.547 3.831 20 0 GHADMP CCCN(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC001211069836 1027775718 /nfs/dbraw/zinc/77/57/18/1027775718.db2.gz PAEXUCLYJDTNDL-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP c1ccc2c(c1)cccc2C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001203981900 1027779254 /nfs/dbraw/zinc/77/92/54/1027779254.db2.gz FMTAPEPLXDMUOZ-ILBGXUMGSA-N 2 1 387.527 3.958 20 0 GHADMP c1ccc2c(c1)cccc2C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001203981900 1027779259 /nfs/dbraw/zinc/77/92/59/1027779259.db2.gz FMTAPEPLXDMUOZ-ILBGXUMGSA-N 2 1 387.527 3.958 20 0 GHADMP c1ccc2c(c1)cccc2C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001203981900 1027779265 /nfs/dbraw/zinc/77/92/65/1027779265.db2.gz FMTAPEPLXDMUOZ-ILBGXUMGSA-N 2 1 387.527 3.958 20 0 GHADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001203988960 1027785647 /nfs/dbraw/zinc/78/56/47/1027785647.db2.gz ZSXDTRIWJGWPAL-NHCUHLMSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001203988960 1027785661 /nfs/dbraw/zinc/78/56/61/1027785661.db2.gz ZSXDTRIWJGWPAL-NHCUHLMSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001203988960 1027785680 /nfs/dbraw/zinc/78/56/80/1027785680.db2.gz ZSXDTRIWJGWPAL-NHCUHLMSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001203988960 1027785699 /nfs/dbraw/zinc/78/56/99/1027785699.db2.gz ZSXDTRIWJGWPAL-NHCUHLMSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2ccccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001203988960 1027785719 /nfs/dbraw/zinc/78/57/19/1027785719.db2.gz ZSXDTRIWJGWPAL-NHCUHLMSSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C)s4)CC3)C2)c1 ZINC001204031304 1027821535 /nfs/dbraw/zinc/82/15/35/1027821535.db2.gz INFYGANBGXQFEH-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C)s4)CC3)C2)c1 ZINC001204031304 1027821558 /nfs/dbraw/zinc/82/15/58/1027821558.db2.gz INFYGANBGXQFEH-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1 ZINC000840862529 1027894758 /nfs/dbraw/zinc/89/47/58/1027894758.db2.gz HDFVZSYLSODKBB-UZLBHIALSA-N 2 1 378.476 3.952 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1 ZINC000840862526 1027895808 /nfs/dbraw/zinc/89/58/08/1027895808.db2.gz HDFVZSYLSODKBB-JXFKEZNVSA-N 2 1 378.476 3.952 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000840866931 1027904438 /nfs/dbraw/zinc/90/44/38/1027904438.db2.gz ZXCXYKWVZALNAA-COPCDDAFSA-N 2 1 381.520 3.607 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000840866931 1027904441 /nfs/dbraw/zinc/90/44/41/1027904441.db2.gz ZXCXYKWVZALNAA-COPCDDAFSA-N 2 1 381.520 3.607 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001204140769 1027911703 /nfs/dbraw/zinc/91/17/03/1027911703.db2.gz DGUSRTQQSLBIPK-UHFFFAOYSA-N 2 1 397.588 3.918 20 0 GHADMP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000841102468 1028137394 /nfs/dbraw/zinc/13/73/94/1028137394.db2.gz LGHHEDHJOGZHFX-GIYDNNGJSA-N 2 1 391.531 3.506 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142222941 1028411463 /nfs/dbraw/zinc/41/14/63/1028411463.db2.gz ZRLSVWOZJFXKKF-HXUWFJFHSA-N 2 1 396.579 3.963 20 0 GHADMP CNc1nc(Cl)ncc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502791 1029003855 /nfs/dbraw/zinc/00/38/55/1029003855.db2.gz YCGOUTAEPQFEHC-ROUUACIJSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502791 1029003877 /nfs/dbraw/zinc/00/38/77/1029003877.db2.gz YCGOUTAEPQFEHC-ROUUACIJSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502791 1029003898 /nfs/dbraw/zinc/00/38/98/1029003898.db2.gz YCGOUTAEPQFEHC-ROUUACIJSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502791 1029003915 /nfs/dbraw/zinc/00/39/15/1029003915.db2.gz YCGOUTAEPQFEHC-ROUUACIJSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001142502791 1029003932 /nfs/dbraw/zinc/00/39/32/1029003932.db2.gz YCGOUTAEPQFEHC-ROUUACIJSA-N 2 1 385.943 3.516 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000842479706 1029315635 /nfs/dbraw/zinc/31/56/35/1029315635.db2.gz WQAYSVGLYYQVIC-LADGPHEKSA-N 2 1 393.531 3.510 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000842924627 1029689425 /nfs/dbraw/zinc/68/94/25/1029689425.db2.gz QZMVLODXUIYFSZ-AYWYSENESA-N 2 1 387.568 3.709 20 0 GHADMP CN1c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)cc2CCC1=O ZINC000843106822 1029811970 /nfs/dbraw/zinc/81/19/70/1029811970.db2.gz COCSMQZWQPORBU-ISKFKSNPSA-N 2 1 391.559 3.768 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001143139985 1029864607 /nfs/dbraw/zinc/86/46/07/1029864607.db2.gz HYWOWMIDWMLYEE-GOSISDBHSA-N 2 1 379.976 3.952 20 0 GHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363828 1029942641 /nfs/dbraw/zinc/94/26/41/1029942641.db2.gz CJPKTJKIAQGRSR-ZIAGYGMSSA-N 2 1 386.565 3.658 20 0 GHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363828 1029942644 /nfs/dbraw/zinc/94/26/44/1029942644.db2.gz CJPKTJKIAQGRSR-ZIAGYGMSSA-N 2 1 386.565 3.658 20 0 GHADMP c1cc(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)ccc1C[NH+]1CCOCC1 ZINC001222109648 1029967195 /nfs/dbraw/zinc/96/71/95/1029967195.db2.gz MNJPUZBNNSBQMU-UHFFFAOYSA-N 3 1 385.596 3.655 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C\C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407630 1029980116 /nfs/dbraw/zinc/98/01/16/1029980116.db2.gz VMWYKBOZCZPQQG-AQWUKCDYSA-N 2 1 385.552 3.854 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C\C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407630 1029980119 /nfs/dbraw/zinc/98/01/19/1029980119.db2.gz VMWYKBOZCZPQQG-AQWUKCDYSA-N 2 1 385.552 3.854 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000843426679 1029998326 /nfs/dbraw/zinc/99/83/26/1029998326.db2.gz GHABISHLBKWLPX-ZRCGQRJVSA-N 2 1 387.568 3.569 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(-c3ccccc3)s1)CC[NH2+]CC2 ZINC001222220691 1030013887 /nfs/dbraw/zinc/01/38/87/1030013887.db2.gz FVNZWVIXMIUZKO-LJQANCHMSA-N 2 1 384.545 3.922 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602002 1030226733 /nfs/dbraw/zinc/22/67/33/1030226733.db2.gz FQSQTHVLPYUTQY-XMMPIXPASA-N 2 1 386.543 3.737 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602002 1030226755 /nfs/dbraw/zinc/22/67/55/1030226755.db2.gz FQSQTHVLPYUTQY-XMMPIXPASA-N 2 1 386.543 3.737 20 0 GHADMP Clc1ccc(-c2nccnc2C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222609800 1030234253 /nfs/dbraw/zinc/23/42/53/1030234253.db2.gz RGQWHYZCLRCNQK-HXUWFJFHSA-N 2 1 390.918 3.986 20 0 GHADMP Clc1ccc(-c2nccnc2C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222609800 1030234263 /nfs/dbraw/zinc/23/42/63/1030234263.db2.gz RGQWHYZCLRCNQK-HXUWFJFHSA-N 2 1 390.918 3.986 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222610506 1030234924 /nfs/dbraw/zinc/23/49/24/1030234924.db2.gz ZXVQXIFHULZXJW-KRWDZBQOSA-N 2 1 397.320 3.514 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222610506 1030234928 /nfs/dbraw/zinc/23/49/28/1030234928.db2.gz ZXVQXIFHULZXJW-KRWDZBQOSA-N 2 1 397.320 3.514 20 0 GHADMP Brc1cnc2c(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c[nH]c2c1 ZINC001222610495 1030235112 /nfs/dbraw/zinc/23/51/12/1030235112.db2.gz ZMWQRPWQILXJEL-QGZVFWFLSA-N 2 1 397.320 3.514 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([NH2+]C3CCC3)CC2)C1 ZINC001222667668 1030270286 /nfs/dbraw/zinc/27/02/86/1030270286.db2.gz RUFFSWFHUKBZLT-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001223090857 1030434454 /nfs/dbraw/zinc/43/44/54/1030434454.db2.gz VTLWYSZPOIAKGR-FQEVSTJZSA-N 2 1 388.600 3.707 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1Cl ZINC001223556345 1030634814 /nfs/dbraw/zinc/63/48/14/1030634814.db2.gz GQPNGYXQTQDLBJ-RVSXGSNBSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001223832216 1030773544 /nfs/dbraw/zinc/77/35/44/1030773544.db2.gz QEEZTMMTHSZWPM-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001224901155 1031170296 /nfs/dbraw/zinc/17/02/96/1031170296.db2.gz XJSJOVJPGMRNIO-QXLPQFPDSA-N 2 1 398.595 3.728 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)C1 ZINC001218996945 1031202260 /nfs/dbraw/zinc/20/22/60/1031202260.db2.gz QJFPAGKVVTXDQT-UNMCSNQZSA-N 2 1 377.532 3.923 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2)C1CCCCC1 ZINC001219023850 1031218344 /nfs/dbraw/zinc/21/83/44/1031218344.db2.gz LMXSVXHBFVECIT-HYBUGGRVSA-N 2 1 399.579 3.938 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001225131225 1031272125 /nfs/dbraw/zinc/27/21/25/1031272125.db2.gz ROCKYNFDHVWJNE-OAQYLSRUSA-N 2 1 386.584 3.735 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC001220494156 1031963714 /nfs/dbraw/zinc/96/37/14/1031963714.db2.gz KQHMMGCVUGAXTD-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP c1ccc(C[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)Cc2ccccn2)cc1 ZINC001205340694 1033370283 /nfs/dbraw/zinc/37/02/83/1033370283.db2.gz ZFARYAQSIHWHNP-UHFFFAOYSA-N 2 1 386.543 3.689 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001157074766 1033402774 /nfs/dbraw/zinc/40/27/74/1033402774.db2.gz PAHZNMXQJLSZNH-UHFFFAOYSA-N 2 1 382.527 3.917 20 0 GHADMP COc1c(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1Br ZINC001205639032 1033505165 /nfs/dbraw/zinc/50/51/65/1033505165.db2.gz VBJGYBCYZPWDEZ-AAEUAGOBSA-N 2 1 375.738 3.918 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)c2n1 ZINC001205638509 1033505962 /nfs/dbraw/zinc/50/59/62/1033505962.db2.gz OTFAGFQAKGDPDP-KGLIPLIRSA-N 2 1 392.341 3.813 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205651278 1033511851 /nfs/dbraw/zinc/51/18/51/1033511851.db2.gz CCEAXVNFRVPNRJ-NWDGAFQWSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001229587769 1033574925 /nfs/dbraw/zinc/57/49/25/1033574925.db2.gz CKFPRVWLRBBQIX-WTIAFYNJSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157752951 1033754410 /nfs/dbraw/zinc/75/44/10/1033754410.db2.gz BFDTYSCHAWJUDR-IMFGXOCKSA-N 2 1 397.485 3.527 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157752951 1033754425 /nfs/dbraw/zinc/75/44/25/1033754425.db2.gz BFDTYSCHAWJUDR-IMFGXOCKSA-N 2 1 397.485 3.527 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206303160 1033788668 /nfs/dbraw/zinc/78/86/68/1033788668.db2.gz BXPUNPNQFLBTFV-QFIPXVFZSA-N 2 1 386.561 3.779 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc1 ZINC001206303160 1033788694 /nfs/dbraw/zinc/78/86/94/1033788694.db2.gz BXPUNPNQFLBTFV-QFIPXVFZSA-N 2 1 386.561 3.779 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001203380316 1033813003 /nfs/dbraw/zinc/81/30/03/1033813003.db2.gz SULDUFHRSNYGON-HXUWFJFHSA-N 2 1 398.551 3.763 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1SC ZINC001206426972 1033838087 /nfs/dbraw/zinc/83/80/87/1033838087.db2.gz LQEKDINAMGEECF-KRWDZBQOSA-N 2 1 378.586 3.597 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2c(-c3ccc(F)cc3)c3ccccc3nc2C2CC2)C[C@H]1O ZINC001206470540 1033858977 /nfs/dbraw/zinc/85/89/77/1033858977.db2.gz YIGGNWDOFNRSNL-HTAPYJJXSA-N 2 1 391.490 3.670 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CCc4nccn4C2)c1-3 ZINC001230130031 1033912543 /nfs/dbraw/zinc/91/25/43/1033912543.db2.gz TYEIQRHRHNZGBF-PKOBYXMFSA-N 2 1 387.483 3.735 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CCc4[nH+]ccn4C2)c1-3 ZINC001230130031 1033912553 /nfs/dbraw/zinc/91/25/53/1033912553.db2.gz TYEIQRHRHNZGBF-PKOBYXMFSA-N 2 1 387.483 3.735 20 0 GHADMP CCOc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc(Br)c1O ZINC001206590464 1033917917 /nfs/dbraw/zinc/91/79/17/1033917917.db2.gz MOPLGWIGHYAZOS-HNNXBMFYSA-N 2 1 385.346 3.906 20 0 GHADMP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001206771732 1033977598 /nfs/dbraw/zinc/97/75/98/1033977598.db2.gz XMCVWRUOECTGNW-JTHBVZDNSA-N 3 1 392.591 3.568 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC001230464956 1034075135 /nfs/dbraw/zinc/07/51/35/1034075135.db2.gz KGGLZZQADYTWPR-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC001230464956 1034075150 /nfs/dbraw/zinc/07/51/50/1034075150.db2.gz KGGLZZQADYTWPR-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001230464956 1034075158 /nfs/dbraw/zinc/07/51/58/1034075158.db2.gz KGGLZZQADYTWPR-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207240078 1034204932 /nfs/dbraw/zinc/20/49/32/1034204932.db2.gz DHGLUDYNKPIRRD-SFHVURJKSA-N 2 1 388.556 3.576 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001207244560 1034206656 /nfs/dbraw/zinc/20/66/56/1034206656.db2.gz DMJUDXOIEXGCFB-PMACEKPBSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001207285988 1034236645 /nfs/dbraw/zinc/23/66/45/1034236645.db2.gz ATIQTCQEFSLSJM-SZPZYZBQSA-N 2 1 399.579 3.697 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001207295689 1034249108 /nfs/dbraw/zinc/24/91/08/1034249108.db2.gz ZFSRACRJOCUQGM-QFIPXVFZSA-N 2 1 380.536 3.540 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001230887466 1034273800 /nfs/dbraw/zinc/27/38/00/1034273800.db2.gz ZFFHISCPZSGZPK-GIVPXCGWSA-N 2 1 386.584 3.726 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001230887466 1034273813 /nfs/dbraw/zinc/27/38/13/1034273813.db2.gz ZFFHISCPZSGZPK-GIVPXCGWSA-N 2 1 386.584 3.726 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC001207346711 1034293588 /nfs/dbraw/zinc/29/35/88/1034293588.db2.gz KCHFSCLGCOGHNW-AABGKKOBSA-N 2 1 380.527 3.882 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC001207346711 1034293598 /nfs/dbraw/zinc/29/35/98/1034293598.db2.gz KCHFSCLGCOGHNW-AABGKKOBSA-N 2 1 380.527 3.882 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)CC[C@@H]21 ZINC001207346711 1034293606 /nfs/dbraw/zinc/29/36/06/1034293606.db2.gz KCHFSCLGCOGHNW-AABGKKOBSA-N 2 1 380.527 3.882 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4CCOC(C)(C)C4)CC3)C2)cc1 ZINC001207359633 1034306786 /nfs/dbraw/zinc/30/67/86/1034306786.db2.gz YMCXBEPYPFJNJD-JOCHJYFZSA-N 2 1 386.580 3.867 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001207481289 1034392322 /nfs/dbraw/zinc/39/23/22/1034392322.db2.gz APNGQWMGHYVENI-VXKWHMMOSA-N 2 1 399.579 3.937 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001231106140 1034400762 /nfs/dbraw/zinc/40/07/62/1034400762.db2.gz KYJYWVUORIHUNM-FCHUYYIVSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001231106140 1034400769 /nfs/dbraw/zinc/40/07/69/1034400769.db2.gz KYJYWVUORIHUNM-FCHUYYIVSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001231106140 1034400774 /nfs/dbraw/zinc/40/07/74/1034400774.db2.gz KYJYWVUORIHUNM-FCHUYYIVSA-N 2 1 390.616 3.737 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(CCc3ccccc3Br)C2)C1 ZINC001207528975 1034432910 /nfs/dbraw/zinc/43/29/10/1034432910.db2.gz SZOQLIQCIPTFNG-HXUWFJFHSA-N 2 1 395.385 3.814 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC001207597564 1034475028 /nfs/dbraw/zinc/47/50/28/1034475028.db2.gz LSYFMQGESNLVLG-GOSISDBHSA-N 2 1 378.944 3.622 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC001207597564 1034475041 /nfs/dbraw/zinc/47/50/41/1034475041.db2.gz LSYFMQGESNLVLG-GOSISDBHSA-N 2 1 378.944 3.622 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001231264252 1034492813 /nfs/dbraw/zinc/49/28/13/1034492813.db2.gz VEZJBPBXAWHPOY-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001231264252 1034492821 /nfs/dbraw/zinc/49/28/21/1034492821.db2.gz VEZJBPBXAWHPOY-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001231264252 1034492827 /nfs/dbraw/zinc/49/28/27/1034492827.db2.gz VEZJBPBXAWHPOY-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001207649590 1034511302 /nfs/dbraw/zinc/51/13/02/1034511302.db2.gz YRSIKTHSFWCEKC-HXUWFJFHSA-N 2 1 390.616 3.695 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC(C[NH+]3CCC([NH+]4CCC4)CC3)C2)CC1 ZINC001207808348 1034586997 /nfs/dbraw/zinc/58/69/97/1034586997.db2.gz ACTZIVXFUUOUSB-UHFFFAOYSA-N 2 1 377.573 3.584 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1c[nH]c3cccnc13)CC2 ZINC001231490448 1034634034 /nfs/dbraw/zinc/63/40/34/1034634034.db2.gz ZGNSKEWZZCCAKL-UHFFFAOYSA-N 2 1 379.508 3.798 20 0 GHADMP Cc1ccc(CCC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)o1 ZINC001207945336 1034675122 /nfs/dbraw/zinc/67/51/22/1034675122.db2.gz UZCBMBJUCKDQBJ-UPVQGACJSA-N 2 1 386.580 3.981 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)o1 ZINC001207945336 1034675128 /nfs/dbraw/zinc/67/51/28/1034675128.db2.gz UZCBMBJUCKDQBJ-UPVQGACJSA-N 2 1 386.580 3.981 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)o1 ZINC001207945336 1034675134 /nfs/dbraw/zinc/67/51/34/1034675134.db2.gz UZCBMBJUCKDQBJ-UPVQGACJSA-N 2 1 386.580 3.981 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001208108599 1034738905 /nfs/dbraw/zinc/73/89/05/1034738905.db2.gz WPFOEPVITUTVQA-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC[C@H](C)SC)CC2 ZINC001208143611 1034754367 /nfs/dbraw/zinc/75/43/67/1034754367.db2.gz SMRFIPRDQMZECE-ICSRJNTNSA-N 2 1 377.598 3.526 20 0 GHADMP CN(C)c1cc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001208182271 1034779347 /nfs/dbraw/zinc/77/93/47/1034779347.db2.gz DWBTVTSGGZPCOF-LJQANCHMSA-N 2 1 381.524 3.571 20 0 GHADMP CN(C)c1cc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001208182271 1034779356 /nfs/dbraw/zinc/77/93/56/1034779356.db2.gz DWBTVTSGGZPCOF-LJQANCHMSA-N 2 1 381.524 3.571 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC001231691100 1034840309 /nfs/dbraw/zinc/84/03/09/1034840309.db2.gz HLZSZVWBFYMAPS-FQEVSTJZSA-N 2 1 384.520 3.682 20 0 GHADMP Fc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001160098613 1034857566 /nfs/dbraw/zinc/85/75/66/1034857566.db2.gz DYQFKMLWRNBCQV-UHFFFAOYSA-N 2 1 385.483 3.532 20 0 GHADMP Fc1ccc(O[C@@H]2CC[NH2+]C2)c(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001160141108 1034878018 /nfs/dbraw/zinc/87/80/18/1034878018.db2.gz CPDUMOZXMPTGNB-HXUWFJFHSA-N 2 1 397.494 3.631 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001160150321 1034880034 /nfs/dbraw/zinc/88/00/34/1034880034.db2.gz HSNRNVQNJWCBMX-MRXNPFEDSA-N 2 1 381.549 3.974 20 0 GHADMP c1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160218908 1034905307 /nfs/dbraw/zinc/90/53/07/1034905307.db2.gz GTYIVAIOJSLPAO-HSZRJFAPSA-N 2 1 393.531 3.882 20 0 GHADMP CCCCc1ccc(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1 ZINC001231782596 1034905564 /nfs/dbraw/zinc/90/55/64/1034905564.db2.gz XEVPWZXCESQPDD-UHFFFAOYSA-N 2 1 384.568 3.710 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)c1-c1ccccc1 ZINC001208616115 1034955195 /nfs/dbraw/zinc/95/51/95/1034955195.db2.gz ZCZKMWDQYUOKHD-PKOBYXMFSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)c1-c1ccccc1 ZINC001208616115 1034955200 /nfs/dbraw/zinc/95/52/00/1034955200.db2.gz ZCZKMWDQYUOKHD-PKOBYXMFSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)c1-c1ccccc1 ZINC001208616115 1034955204 /nfs/dbraw/zinc/95/52/04/1034955204.db2.gz ZCZKMWDQYUOKHD-PKOBYXMFSA-N 2 1 398.576 3.900 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001208652546 1034969151 /nfs/dbraw/zinc/96/91/51/1034969151.db2.gz BVAGOTTYWUALQW-YJMBLLCNSA-N 2 1 387.616 3.915 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001208652546 1034969154 /nfs/dbraw/zinc/96/91/54/1034969154.db2.gz BVAGOTTYWUALQW-YJMBLLCNSA-N 2 1 387.616 3.915 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001208652546 1034969162 /nfs/dbraw/zinc/96/91/62/1034969162.db2.gz BVAGOTTYWUALQW-YJMBLLCNSA-N 2 1 387.616 3.915 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2)CC(C)(C)C ZINC001208661374 1034972041 /nfs/dbraw/zinc/97/20/41/1034972041.db2.gz VNJBMYBVDITNBE-MQSCRBSSSA-N 2 1 379.633 3.710 20 0 GHADMP C[C@H](CC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2)CC(C)(C)C ZINC001208661374 1034972043 /nfs/dbraw/zinc/97/20/43/1034972043.db2.gz VNJBMYBVDITNBE-MQSCRBSSSA-N 2 1 379.633 3.710 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2)CC(C)(C)C ZINC001208661374 1034972048 /nfs/dbraw/zinc/97/20/48/1034972048.db2.gz VNJBMYBVDITNBE-MQSCRBSSSA-N 2 1 379.633 3.710 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC[C@H](C)CC(C)(C)C)CC[C@@H]21 ZINC001208661632 1034972959 /nfs/dbraw/zinc/97/29/59/1034972959.db2.gz XGDLNPHNWAQVFQ-WOZUAGRISA-N 2 1 375.605 3.914 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CC[C@H](C)CC(C)(C)C)CC[C@@H]21 ZINC001208661632 1034972963 /nfs/dbraw/zinc/97/29/63/1034972963.db2.gz XGDLNPHNWAQVFQ-WOZUAGRISA-N 2 1 375.605 3.914 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CC[C@H](C)CC(C)(C)C)CC[C@@H]21 ZINC001208661632 1034972967 /nfs/dbraw/zinc/97/29/67/1034972967.db2.gz XGDLNPHNWAQVFQ-WOZUAGRISA-N 2 1 375.605 3.914 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](C)c3cccc4ccccc43)CC[C@@H]2C1 ZINC001208711115 1034988787 /nfs/dbraw/zinc/98/87/87/1034988787.db2.gz QZOSLLBGODBXPU-XZDHIHRUSA-N 2 1 382.548 3.612 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](C)c3cccc4ccccc43)CC[C@@H]2C1 ZINC001208711115 1034988791 /nfs/dbraw/zinc/98/87/91/1034988791.db2.gz QZOSLLBGODBXPU-XZDHIHRUSA-N 2 1 382.548 3.612 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](C)c3cccc4ccccc43)CC[C@@H]2C1 ZINC001208711115 1034988796 /nfs/dbraw/zinc/98/87/96/1034988796.db2.gz QZOSLLBGODBXPU-XZDHIHRUSA-N 2 1 382.548 3.612 20 0 GHADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001208788639 1035021274 /nfs/dbraw/zinc/02/12/74/1035021274.db2.gz OXHWZRIJQPEGMA-INIZCTEOSA-N 2 1 389.927 3.990 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC001160655830 1035026038 /nfs/dbraw/zinc/02/60/38/1035026038.db2.gz CXRUSSFCIXIEPA-HJOGWXRNSA-N 2 1 391.559 3.941 20 0 GHADMP [NH3+][C@H](C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001160680167 1035033329 /nfs/dbraw/zinc/03/33/29/1035033329.db2.gz QNDTTYYJWJFVEB-RPBOFIJWSA-N 2 1 399.538 3.990 20 0 GHADMP [NH3+][C@H](C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001160680167 1035033333 /nfs/dbraw/zinc/03/33/33/1035033333.db2.gz QNDTTYYJWJFVEB-RPBOFIJWSA-N 2 1 399.538 3.990 20 0 GHADMP [NH3+][C@@H](C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001160680165 1035033577 /nfs/dbraw/zinc/03/35/77/1035033577.db2.gz QNDTTYYJWJFVEB-JWQCQUIFSA-N 2 1 399.538 3.990 20 0 GHADMP [NH3+][C@@H](C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001160680165 1035033585 /nfs/dbraw/zinc/03/35/85/1035033585.db2.gz QNDTTYYJWJFVEB-JWQCQUIFSA-N 2 1 399.538 3.990 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]C1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160681978 1035034625 /nfs/dbraw/zinc/03/46/25/1035034625.db2.gz BCPMJLQPLBYZDM-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001160695153 1035038620 /nfs/dbraw/zinc/03/86/20/1035038620.db2.gz IYCNJDPZQFBNEP-PXNSSMCTSA-N 2 1 377.960 3.715 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232012992 1035043070 /nfs/dbraw/zinc/04/30/70/1035043070.db2.gz CTAXHNCDAMBYAP-IBGZPJMESA-N 3 1 396.560 3.880 20 0 GHADMP c1c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013406 1035043844 /nfs/dbraw/zinc/04/38/44/1035043844.db2.gz NOJMKJBDBFCNER-NZQKXSOJSA-N 2 1 392.503 3.546 20 0 GHADMP c1c(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013406 1035043849 /nfs/dbraw/zinc/04/38/49/1035043849.db2.gz NOJMKJBDBFCNER-NZQKXSOJSA-N 2 1 392.503 3.546 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208931262 1035094220 /nfs/dbraw/zinc/09/42/20/1035094220.db2.gz IQRDXEIUXHDDKV-IPMKNSEASA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208931262 1035094228 /nfs/dbraw/zinc/09/42/28/1035094228.db2.gz IQRDXEIUXHDDKV-IPMKNSEASA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208931262 1035094239 /nfs/dbraw/zinc/09/42/39/1035094239.db2.gz IQRDXEIUXHDDKV-IPMKNSEASA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208931262 1035094252 /nfs/dbraw/zinc/09/42/52/1035094252.db2.gz IQRDXEIUXHDDKV-IPMKNSEASA-N 2 1 388.449 3.626 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208931273 1035095151 /nfs/dbraw/zinc/09/51/51/1035095151.db2.gz ISRCNPWACFXXTN-FDFHNCONSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208931273 1035095157 /nfs/dbraw/zinc/09/51/57/1035095157.db2.gz ISRCNPWACFXXTN-FDFHNCONSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208931273 1035095166 /nfs/dbraw/zinc/09/51/66/1035095166.db2.gz ISRCNPWACFXXTN-FDFHNCONSA-N 2 1 399.579 3.697 20 0 GHADMP COC(=O)CC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208938466 1035106856 /nfs/dbraw/zinc/10/68/56/1035106856.db2.gz ZYGFXLQPBDPJGS-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP COC(=O)CC[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938466 1035106860 /nfs/dbraw/zinc/10/68/60/1035106860.db2.gz ZYGFXLQPBDPJGS-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP COC(=O)CC[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938466 1035106866 /nfs/dbraw/zinc/10/68/66/1035106866.db2.gz ZYGFXLQPBDPJGS-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP Cc1cnc(OC2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208944216 1035113754 /nfs/dbraw/zinc/11/37/54/1035113754.db2.gz ORNJHOMMKSGHLB-NRFANRHFSA-N 2 1 380.536 3.540 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001232147406 1035125327 /nfs/dbraw/zinc/12/53/27/1035125327.db2.gz HYGHQYDIXCUSBJ-UHFFFAOYSA-N 2 1 379.520 3.719 20 0 GHADMP Cc1ccc(O[C@H]2C[C@@H]3CN(Cc4cc(F)cc(C[NH+](C)C)c4)CC[N@H+]3C2)cc1 ZINC001232147158 1035125415 /nfs/dbraw/zinc/12/54/15/1035125415.db2.gz KFIHELHRXDWLMX-VWNXMTODSA-N 2 1 397.538 3.533 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3CN(C[C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]32)cc1 ZINC001208958103 1035129811 /nfs/dbraw/zinc/12/98/11/1035129811.db2.gz ORZXFXCQAVRLHL-SDHSZQHLSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](CN3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)C2)cc1 ZINC001208958103 1035129816 /nfs/dbraw/zinc/12/98/16/1035129816.db2.gz ORZXFXCQAVRLHL-SDHSZQHLSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](CN3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)C2)cc1 ZINC001208958103 1035129818 /nfs/dbraw/zinc/12/98/18/1035129818.db2.gz ORZXFXCQAVRLHL-SDHSZQHLSA-N 2 1 375.560 3.715 20 0 GHADMP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961358 1035132740 /nfs/dbraw/zinc/13/27/40/1035132740.db2.gz ZQODIYPUAANOOF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961358 1035132745 /nfs/dbraw/zinc/13/27/45/1035132745.db2.gz ZQODIYPUAANOOF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208961358 1035132749 /nfs/dbraw/zinc/13/27/49/1035132749.db2.gz ZQODIYPUAANOOF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208961358 1035132752 /nfs/dbraw/zinc/13/27/52/1035132752.db2.gz ZQODIYPUAANOOF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@H]([NH3+])Cc1cccc2ccccc21 ZINC001161161058 1035163494 /nfs/dbraw/zinc/16/34/94/1035163494.db2.gz LWYJPSBPMXXNPQ-HSZRJFAPSA-N 2 1 389.543 3.690 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209125413 1035184940 /nfs/dbraw/zinc/18/49/40/1035184940.db2.gz WUNGCNODOHQAED-SFTDATJTSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209125413 1035184942 /nfs/dbraw/zinc/18/49/42/1035184942.db2.gz WUNGCNODOHQAED-SFTDATJTSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209125413 1035184944 /nfs/dbraw/zinc/18/49/44/1035184944.db2.gz WUNGCNODOHQAED-SFTDATJTSA-N 2 1 396.497 3.928 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC001209144798 1035192279 /nfs/dbraw/zinc/19/22/79/1035192279.db2.gz RMLQCTQDYDLQPC-NRFANRHFSA-N 2 1 396.531 3.513 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC001209145245 1035192723 /nfs/dbraw/zinc/19/27/23/1035192723.db2.gz UUCYJTVPWVWOEJ-UHFFFAOYSA-N 2 1 395.547 3.899 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC001209145245 1035192725 /nfs/dbraw/zinc/19/27/25/1035192725.db2.gz UUCYJTVPWVWOEJ-UHFFFAOYSA-N 2 1 395.547 3.899 20 0 GHADMP C[N@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206674787 1035208819 /nfs/dbraw/zinc/20/88/19/1035208819.db2.gz XFWSEOCHLIGMLK-UHFFFAOYSA-N 2 1 393.453 3.607 20 0 GHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206674787 1035208823 /nfs/dbraw/zinc/20/88/23/1035208823.db2.gz XFWSEOCHLIGMLK-UHFFFAOYSA-N 2 1 393.453 3.607 20 0 GHADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)C1 ZINC001161387687 1035219854 /nfs/dbraw/zinc/21/98/54/1035219854.db2.gz SYJBGGABVGJRFG-RHSMWYFYSA-N 2 1 394.302 3.767 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001209297944 1035234544 /nfs/dbraw/zinc/23/45/44/1035234544.db2.gz LIZANPRGYGRLLE-QFIPXVFZSA-N 2 1 380.532 3.821 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383591 1035265032 /nfs/dbraw/zinc/26/50/32/1035265032.db2.gz XHHJYEGBIBGEHZ-PPAVOTHMSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)C[C@H](C)O1 ZINC001209383591 1035265038 /nfs/dbraw/zinc/26/50/38/1035265038.db2.gz XHHJYEGBIBGEHZ-PPAVOTHMSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)C[C@H](C)O1 ZINC001209383591 1035265043 /nfs/dbraw/zinc/26/50/43/1035265043.db2.gz XHHJYEGBIBGEHZ-PPAVOTHMSA-N 2 1 390.612 3.651 20 0 GHADMP COC1CCC(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001209390581 1035265957 /nfs/dbraw/zinc/26/59/57/1035265957.db2.gz BECYFKFCFACDMM-BVWUFBLMSA-N 2 1 390.612 3.652 20 0 GHADMP COC1CCC(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001209390581 1035265960 /nfs/dbraw/zinc/26/59/60/1035265960.db2.gz BECYFKFCFACDMM-BVWUFBLMSA-N 2 1 390.612 3.652 20 0 GHADMP COC1CCC(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001209390581 1035265965 /nfs/dbraw/zinc/26/59/65/1035265965.db2.gz BECYFKFCFACDMM-BVWUFBLMSA-N 2 1 390.612 3.652 20 0 GHADMP O=C1CCC2(CC[NH+](CCC[NH+]3CCCCC3)CC2)N1Cc1cccc(F)c1 ZINC001209449638 1035276727 /nfs/dbraw/zinc/27/67/27/1035276727.db2.gz BIHUTYBMSFSOQN-UHFFFAOYSA-N 2 1 387.543 3.659 20 0 GHADMP Cc1cccc2c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c[nH]c21 ZINC001209482209 1035288029 /nfs/dbraw/zinc/28/80/29/1035288029.db2.gz GJBYYCGNKSNJEX-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP Cc1cccc2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c[nH]c21 ZINC001209482209 1035288036 /nfs/dbraw/zinc/28/80/36/1035288036.db2.gz GJBYYCGNKSNJEX-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(C(=O)c3ccccc3)cc2)no1 ZINC001248194665 1035624003 /nfs/dbraw/zinc/62/40/03/1035624003.db2.gz LIZDSHKQASICDV-IBGZPJMESA-N 2 1 378.476 3.699 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(Br)c(F)c2)no1 ZINC001248195007 1035624030 /nfs/dbraw/zinc/62/40/30/1035624030.db2.gz RFYKYIZUWDIGGI-LBPRGKRZSA-N 2 1 389.244 3.509 20 0 GHADMP CCOC(OCC)c1ccc(F)c(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1 ZINC001248194640 1035624488 /nfs/dbraw/zinc/62/44/88/1035624488.db2.gz KRCWTJNDMUBYAC-KRWDZBQOSA-N 2 1 394.491 3.679 20 0 GHADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)cc12 ZINC001241981344 1035774484 /nfs/dbraw/zinc/77/44/84/1035774484.db2.gz VGCUSCUMWSXFNP-HSZRJFAPSA-N 2 1 388.559 3.877 20 0 GHADMP CC[N@H+]1CC=C(c2cnc(-c3ccccc3C[NH+]3CCOCC3)c(C)c2)CC1 ZINC001241982509 1035775946 /nfs/dbraw/zinc/77/59/46/1035775946.db2.gz DFIKNESFHJNYHZ-UHFFFAOYSA-N 2 1 377.532 3.998 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3ccccc3C[NH+]3CCOCC3)c(C)c2)CC1 ZINC001241982509 1035775968 /nfs/dbraw/zinc/77/59/68/1035775968.db2.gz DFIKNESFHJNYHZ-UHFFFAOYSA-N 2 1 377.532 3.998 20 0 GHADMP c1nc2cc(-c3ccccc3C[NH+]3CCOCC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001241989167 1035780675 /nfs/dbraw/zinc/78/06/75/1035780675.db2.gz JLVWNOLSNQVADG-OAQYLSRUSA-N 2 1 390.531 3.850 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CCN(Cc1cc(Cl)c(F)cc1F)CC2 ZINC001278372263 1036304475 /nfs/dbraw/zinc/30/44/75/1036304475.db2.gz HXXPFAWAWQGIAZ-UHFFFAOYSA-N 2 1 388.886 3.527 20 0 GHADMP COCCOCN1CCC2(C1)CCN(Cc1cc(Cl)c(F)cc1F)CC2 ZINC001278372263 1036304494 /nfs/dbraw/zinc/30/44/94/1036304494.db2.gz HXXPFAWAWQGIAZ-UHFFFAOYSA-N 2 1 388.886 3.527 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246028430 1037143656 /nfs/dbraw/zinc/14/36/56/1037143656.db2.gz RYIWUBWCHDYTDS-MHECFPHRSA-N 2 1 393.531 3.669 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246029623 1037146074 /nfs/dbraw/zinc/14/60/74/1037146074.db2.gz RGHKOHCECJPTRX-JQVVWYNYSA-N 2 1 378.988 3.981 20 0 GHADMP COCC[N@@H+](C[C@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C1CC[NH2+]CC1 ZINC001246044029 1037157295 /nfs/dbraw/zinc/15/72/95/1037157295.db2.gz FDVGPBMORNYUNW-JOCHJYFZSA-N 2 1 397.003 3.750 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001246053209 1037165606 /nfs/dbraw/zinc/16/56/06/1037165606.db2.gz QRCFSMRCCONUSY-SIKLNZKXSA-N 2 1 388.596 3.968 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246054348 1037168881 /nfs/dbraw/zinc/16/88/81/1037168881.db2.gz FTNZNZGMPRKDTC-NJDAHSKKSA-N 2 1 386.511 3.646 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001246060575 1037173696 /nfs/dbraw/zinc/17/36/96/1037173696.db2.gz GKHVIWCPCVZVIU-XUVXKRRUSA-N 2 1 394.437 3.653 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001246063629 1037175953 /nfs/dbraw/zinc/17/59/53/1037175953.db2.gz AUPGCYUHGWOALH-ACRUOGEOSA-N 2 1 388.939 3.852 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H](O)COc2ccc(F)cc2F)C2CCCCC2)CC1 ZINC001246071533 1037186530 /nfs/dbraw/zinc/18/65/30/1037186530.db2.gz SZNIZKGMHXTXNW-BHIYHBOVSA-N 2 1 382.495 3.609 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071961 1037188028 /nfs/dbraw/zinc/18/80/28/1037188028.db2.gz WENFHSLOEBUTPQ-UDIDDNNKSA-N 2 1 391.600 3.747 20 0 GHADMP F[C@@H]1CNC[C@H]1[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246130454 1037208625 /nfs/dbraw/zinc/20/86/25/1037208625.db2.gz RYVHWHOTRGDSCP-SNDHGLFQSA-N 2 1 381.539 3.900 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001246133773 1037210143 /nfs/dbraw/zinc/21/01/43/1037210143.db2.gz QPVIRLKQMAKVJT-UNWVZKJWSA-N 2 1 391.559 3.885 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001246133773 1037210165 /nfs/dbraw/zinc/21/01/65/1037210165.db2.gz QPVIRLKQMAKVJT-UNWVZKJWSA-N 2 1 391.559 3.885 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CCCC[C@@]34C[NH2+]CCO4)CC2)cc1 ZINC001246159869 1037216653 /nfs/dbraw/zinc/21/66/53/1037216653.db2.gz LHLUAECFHCKGFK-SCMVOWPKSA-N 2 1 386.536 3.529 20 0 GHADMP C[NH2+]CC[C@H](C)NCc1ccc(OCCCCCOc2ccc(C[NH3+])cc2)cc1 ZINC001246199072 1037234976 /nfs/dbraw/zinc/23/49/76/1037234976.db2.gz HQKKGCSKYBDGKB-FQEVSTJZSA-N 2 1 399.579 3.861 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC)c2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC001246253153 1037254587 /nfs/dbraw/zinc/25/45/87/1037254587.db2.gz CUGDKIMPGMLVGE-GIWBLDEGSA-N 2 1 396.531 3.990 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256120 1037257736 /nfs/dbraw/zinc/25/77/36/1037257736.db2.gz MTJFSGVGHLYMBL-ZNLUXHQJSA-N 2 1 382.504 3.600 20 0 GHADMP COC(=O)c1cccc2c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccnc12 ZINC001462176644 1070054221 /nfs/dbraw/zinc/05/42/21/1070054221.db2.gz PUXCPLFRODEGPP-IBGZPJMESA-N 2 1 389.499 3.633 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H](n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)CC[NH2+]1 ZINC001246295079 1037283612 /nfs/dbraw/zinc/28/36/12/1037283612.db2.gz SNJYOZVKBHYSFW-NZQKXSOJSA-N 2 1 382.596 3.946 20 0 GHADMP C[C@@H](N[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316245 1037291883 /nfs/dbraw/zinc/29/18/83/1037291883.db2.gz MPTKTSCTHGLWFY-XTKIHQQCSA-N 2 1 389.587 3.949 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316245 1037291894 /nfs/dbraw/zinc/29/18/94/1037291894.db2.gz MPTKTSCTHGLWFY-XTKIHQQCSA-N 3 1 389.587 3.949 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316245 1037291911 /nfs/dbraw/zinc/29/19/11/1037291911.db2.gz MPTKTSCTHGLWFY-XTKIHQQCSA-N 3 1 389.587 3.949 20 0 GHADMP C[NH2+]C1CCC([NH2+]CC2CCN(Cc3ccccc3Br)CC2)CC1 ZINC001246362641 1037322628 /nfs/dbraw/zinc/32/26/28/1037322628.db2.gz CAMAYVRCYBUWIK-UHFFFAOYSA-N 2 1 394.401 3.781 20 0 GHADMP COc1cccc(C2(N[C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[NH2+]CC2)c1 ZINC001246418369 1037375236 /nfs/dbraw/zinc/37/52/36/1037375236.db2.gz ZDGJUEQXADKUPG-HSZRJFAPSA-N 2 1 393.575 3.918 20 0 GHADMP Clc1cccc(C2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC[NH2+]CC2)c1 ZINC001246428008 1037385968 /nfs/dbraw/zinc/38/59/68/1037385968.db2.gz OFEZULAHXBZDHN-HXUWFJFHSA-N 3 1 375.988 3.958 20 0 GHADMP Clc1cccc(C2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]CC2)c1 ZINC001246428008 1037385978 /nfs/dbraw/zinc/38/59/78/1037385978.db2.gz OFEZULAHXBZDHN-HXUWFJFHSA-N 3 1 375.988 3.958 20 0 GHADMP CC[C@@H]1CC([NH2+]Cc2ccc3nnc(-c4cccc(F)c4)n3c2)C[C@@H](CC)[NH2+]1 ZINC001246439670 1037402260 /nfs/dbraw/zinc/40/22/60/1037402260.db2.gz POKDJZBNEUXQRK-RTBURBONSA-N 2 1 381.499 3.934 20 0 GHADMP CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246448836 1037410177 /nfs/dbraw/zinc/41/01/77/1037410177.db2.gz LIXFRENLINEHCT-XZOYJPPVSA-N 2 1 397.563 3.933 20 0 GHADMP C[C@@H]1CN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001246533296 1037467115 /nfs/dbraw/zinc/46/71/15/1037467115.db2.gz MHWIQZXXBUXKGR-HWIPXOPOSA-N 2 1 377.576 3.945 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)CC[C@H]2C1 ZINC001246612938 1037502966 /nfs/dbraw/zinc/50/29/66/1037502966.db2.gz IYSQMONHGQWFRP-UCKMRUJXSA-N 2 1 395.591 3.926 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1C1CCC3(CCc4ccccc43)CC1)CC[NH2+]CC2 ZINC001246609583 1037503918 /nfs/dbraw/zinc/50/39/18/1037503918.db2.gz LYOKAYPTTHTLPP-CVCZCXRASA-N 2 1 396.575 3.820 20 0 GHADMP CCOC(=O)CC[C@@H](C)[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617826 1037505575 /nfs/dbraw/zinc/50/55/75/1037505575.db2.gz GWUWRWKVRWLAOV-TZIWHRDSSA-N 2 1 388.552 3.522 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)N([C@@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC001246635008 1037521672 /nfs/dbraw/zinc/52/16/72/1037521672.db2.gz IZFMNPWPQFDTAC-OAQYLSRUSA-N 2 1 383.580 3.539 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3c(cccc3OC)C1)CC2 ZINC001246637126 1037523239 /nfs/dbraw/zinc/52/32/39/1037523239.db2.gz LGUAQQSXTKORQD-HXUWFJFHSA-N 2 1 392.543 3.698 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CCc3cc(Cl)c(Cl)cc3C1)C2 ZINC001246656214 1037530786 /nfs/dbraw/zinc/53/07/86/1037530786.db2.gz MYFIDFILTOYBFI-XEZPLFJOSA-N 2 1 379.253 3.934 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677262 1037542659 /nfs/dbraw/zinc/54/26/59/1037542659.db2.gz MGYDGQOMPLKOJY-ODAXIHTASA-N 2 1 378.516 3.586 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001246683268 1037546245 /nfs/dbraw/zinc/54/62/45/1037546245.db2.gz IEIZSAABOSJAID-AFQFEXIYSA-N 2 1 389.587 3.903 20 0 GHADMP CCCC[C@H]1C[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]1 ZINC001246708408 1037562519 /nfs/dbraw/zinc/56/25/19/1037562519.db2.gz JUBMNYALSMCFLQ-NNXSRULWSA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]1 ZINC001246708408 1037562533 /nfs/dbraw/zinc/56/25/33/1037562533.db2.gz JUBMNYALSMCFLQ-NNXSRULWSA-N 2 1 387.568 3.642 20 0 GHADMP CC[C@H]1C[C@@H]([NH+]2CCC3(CC[NH+](Cc4cccc(OC)c4)CC3)CC2)CC[NH2+]1 ZINC001246713921 1037563299 /nfs/dbraw/zinc/56/32/99/1037563299.db2.gz KXDCVGZUABOTDS-VXKWHMMOSA-N 3 1 385.596 3.904 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)o1 ZINC001246711573 1037565049 /nfs/dbraw/zinc/56/50/49/1037565049.db2.gz YORYRCMASXLBHN-SGKWCMOWSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)o1 ZINC001246711573 1037565068 /nfs/dbraw/zinc/56/50/68/1037565068.db2.gz YORYRCMASXLBHN-SGKWCMOWSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)o1 ZINC001246711573 1037565085 /nfs/dbraw/zinc/56/50/85/1037565085.db2.gz YORYRCMASXLBHN-SGKWCMOWSA-N 2 1 379.548 3.600 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246714956 1037567720 /nfs/dbraw/zinc/56/77/20/1037567720.db2.gz AAESOLUUEWNKFI-PQNGQFLHSA-N 2 1 385.596 3.975 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246714956 1037567739 /nfs/dbraw/zinc/56/77/39/1037567739.db2.gz AAESOLUUEWNKFI-PQNGQFLHSA-N 2 1 385.596 3.975 20 0 GHADMP Cc1cccc(CN2CC[C@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)C2=O)c1 ZINC001246729167 1037577462 /nfs/dbraw/zinc/57/74/62/1037577462.db2.gz NRFUBVIAGPMCGP-ISKFKSNPSA-N 2 1 395.591 3.874 20 0 GHADMP Clc1ccc2c(c1)CC[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCC4)c3C1)C2 ZINC001246734573 1037579725 /nfs/dbraw/zinc/57/97/25/1037579725.db2.gz UERBKPHNQDYMCX-HXUWFJFHSA-N 2 1 384.955 3.942 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)N1c1ccccc1 ZINC001246730458 1037580228 /nfs/dbraw/zinc/58/02/28/1037580228.db2.gz RUHZSMYQJMLLMK-WBADGQHESA-N 2 1 375.516 3.750 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)N1c1ccccc1 ZINC001246730458 1037580237 /nfs/dbraw/zinc/58/02/37/1037580237.db2.gz RUHZSMYQJMLLMK-WBADGQHESA-N 2 1 375.516 3.750 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CC[NH2+]2)cc1 ZINC001246738004 1037580291 /nfs/dbraw/zinc/58/02/91/1037580291.db2.gz CQKGBBKDXLPQTG-DHIUTWEWSA-N 2 1 398.554 3.908 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCC[C@]5(CC[NH2+]C5)C4)CC3)C2)cc1 ZINC001246747073 1037587956 /nfs/dbraw/zinc/58/79/56/1037587956.db2.gz NHENMDZMDAXOSZ-RPWUZVMVSA-N 3 1 397.607 3.584 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+]([C@@H]4CCC[C@]5(CC[NH2+]C5)C4)CC3)C2)cc1 ZINC001246747073 1037587976 /nfs/dbraw/zinc/58/79/76/1037587976.db2.gz NHENMDZMDAXOSZ-RPWUZVMVSA-N 2 1 397.607 3.584 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752423 1037591380 /nfs/dbraw/zinc/59/13/80/1037591380.db2.gz CCTILGVCBLADIC-MZKRTTBSSA-N 2 1 395.572 3.540 20 0 GHADMP CCN1CC[C@@]2(C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001246750512 1037591675 /nfs/dbraw/zinc/59/16/75/1037591675.db2.gz YLTWJCLWBBUZMJ-RDGATRHJSA-N 2 1 395.591 3.637 20 0 GHADMP CC[N@H+](CCC[NH+]1CCCC1)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462198231 1070075984 /nfs/dbraw/zinc/07/59/84/1070075984.db2.gz KDNOAEVFIBPQJW-HNNXBMFYSA-N 2 1 381.483 3.640 20 0 GHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462198231 1070076005 /nfs/dbraw/zinc/07/60/05/1070076005.db2.gz KDNOAEVFIBPQJW-HNNXBMFYSA-N 2 1 381.483 3.640 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CCN[C@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754988 1037595892 /nfs/dbraw/zinc/59/58/92/1037595892.db2.gz JAYLVPFTPLQEHR-CBQOVEMMSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754988 1037595906 /nfs/dbraw/zinc/59/59/06/1037595906.db2.gz JAYLVPFTPLQEHR-CBQOVEMMSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754988 1037595923 /nfs/dbraw/zinc/59/59/23/1037595923.db2.gz JAYLVPFTPLQEHR-CBQOVEMMSA-N 2 1 381.545 3.670 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CC[NH2+]1 ZINC001246756919 1037599292 /nfs/dbraw/zinc/59/92/92/1037599292.db2.gz UBNJKKLAMWPKPE-CGXNFDGLSA-N 2 1 378.564 3.969 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC[NH2+]1 ZINC001246762252 1037607190 /nfs/dbraw/zinc/60/71/90/1037607190.db2.gz YBQFOJNCAWUJRR-ZZLPTCMGSA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC[NH2+]1 ZINC001246762252 1037607207 /nfs/dbraw/zinc/60/72/07/1037607207.db2.gz YBQFOJNCAWUJRR-ZZLPTCMGSA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246769033 1037610543 /nfs/dbraw/zinc/61/05/43/1037610543.db2.gz WGSBUXDYJRBSKI-HYFFOGBASA-N 2 1 391.506 3.704 20 0 GHADMP CCCCOC(=O)CC[C@@H](C)[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001246770482 1037612888 /nfs/dbraw/zinc/61/28/88/1037612888.db2.gz KJUYLNHMBTUSCH-GOSISDBHSA-N 2 1 390.572 3.633 20 0 GHADMP O=C1CC2(CC[NH+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)Oc2ccccc21 ZINC001246795222 1037634142 /nfs/dbraw/zinc/63/41/42/1037634142.db2.gz DEDWEYFFIQBJFT-LEWJYISDSA-N 2 1 390.527 3.850 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)CC[NH2+]1 ZINC001246832127 1037663847 /nfs/dbraw/zinc/66/38/47/1037663847.db2.gz ANBHJXLTKRMGEX-CIAFKFPVSA-N 2 1 385.552 3.783 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C1)C2 ZINC001246882156 1037696962 /nfs/dbraw/zinc/69/69/62/1037696962.db2.gz XBOWYRHMFVZVRS-MYSJAJEPSA-N 2 1 382.548 3.504 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCN1 ZINC001246909052 1037717695 /nfs/dbraw/zinc/71/76/95/1037717695.db2.gz ZBPGVZHJSGEDDS-AABGKKOBSA-N 2 1 381.486 3.657 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246914785 1037720108 /nfs/dbraw/zinc/72/01/08/1037720108.db2.gz CNBUHEUFURIDPH-MXEMCNAFSA-N 2 1 376.516 3.890 20 0 GHADMP CCOC(=O)CC1CCC([N@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246932295 1037734678 /nfs/dbraw/zinc/73/46/78/1037734678.db2.gz CLCXEDYVQCVGAE-JITJBCMDSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CCC[NH2+]C2)CC1 ZINC001246932295 1037734700 /nfs/dbraw/zinc/73/47/00/1037734700.db2.gz CLCXEDYVQCVGAE-JITJBCMDSA-N 2 1 376.516 3.892 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246929876 1037735865 /nfs/dbraw/zinc/73/58/65/1037735865.db2.gz IDJLTLAAYRICQC-WNXIRNOKSA-N 2 1 391.559 3.819 20 0 GHADMP O=C1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC001246935741 1037739498 /nfs/dbraw/zinc/73/94/98/1037739498.db2.gz WUKUQWFQMDLMKL-KIHHCIJBSA-N 2 1 389.543 3.573 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC001246937837 1037743659 /nfs/dbraw/zinc/74/36/59/1037743659.db2.gz NALSCQOFPLDPHO-CCWDJLKJSA-N 2 1 381.358 3.959 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)C1 ZINC001246944537 1037746828 /nfs/dbraw/zinc/74/68/28/1037746828.db2.gz VDGPUYOYOPEDRM-CTNGQTDRSA-N 2 1 376.516 3.749 20 0 GHADMP Cc1cc(F)cc(CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246951275 1037756975 /nfs/dbraw/zinc/75/69/75/1037756975.db2.gz GEZVGFRBFIDENQ-XMMPIXPASA-N 2 1 381.539 3.963 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953294 1037758060 /nfs/dbraw/zinc/75/80/60/1037758060.db2.gz AXDAKADJWVNFAA-MAUKXSAKSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246955590 1037765775 /nfs/dbraw/zinc/76/57/75/1037765775.db2.gz LJACTTDIVYKFEM-YLJYHZDGSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246961213 1037783335 /nfs/dbraw/zinc/78/33/35/1037783335.db2.gz JIMUZTUASIDTEW-XLIONFOSSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246961213 1037783349 /nfs/dbraw/zinc/78/33/49/1037783349.db2.gz JIMUZTUASIDTEW-XLIONFOSSA-N 2 1 376.516 3.810 20 0 GHADMP COc1ccc(CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246963560 1037784528 /nfs/dbraw/zinc/78/45/28/1037784528.db2.gz LCFCMUNWIUKXLJ-QHCPKHFHSA-N 2 1 379.548 3.524 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246967171 1037789219 /nfs/dbraw/zinc/78/92/19/1037789219.db2.gz YPZXUNCYFJVGCJ-IHPCNDPISA-N 2 1 376.541 3.889 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246966974 1037790254 /nfs/dbraw/zinc/79/02/54/1037790254.db2.gz XTFSAKVEBCPPAI-MXEMCNAFSA-N 2 1 388.552 3.889 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001246971611 1037794886 /nfs/dbraw/zinc/79/48/86/1037794886.db2.gz HRXRBNBURREOQA-OAHLLOKOSA-N 2 1 382.474 3.533 20 0 GHADMP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246975597 1037800149 /nfs/dbraw/zinc/80/01/49/1037800149.db2.gz MAFSCOOLXYOPKO-PKTZIBPZSA-N 2 1 385.596 3.664 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCN[C@@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246982217 1037805946 /nfs/dbraw/zinc/80/59/46/1037805946.db2.gz AZPSAAMNUHZPGP-JMJGKCIBSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246982217 1037805958 /nfs/dbraw/zinc/80/59/58/1037805958.db2.gz AZPSAAMNUHZPGP-JMJGKCIBSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246982217 1037805968 /nfs/dbraw/zinc/80/59/68/1037805968.db2.gz AZPSAAMNUHZPGP-JMJGKCIBSA-N 2 1 396.506 3.816 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246990765 1037815048 /nfs/dbraw/zinc/81/50/48/1037815048.db2.gz JBSIGZVVSGPDCK-SGNDLWITSA-N 2 1 392.543 3.805 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246992242 1037815842 /nfs/dbraw/zinc/81/58/42/1037815842.db2.gz VGTKCPMWWHOVNG-SJLPKXTDSA-N 2 1 379.342 3.825 20 0 GHADMP CN1CCC([N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246993000 1037818812 /nfs/dbraw/zinc/81/88/12/1037818812.db2.gz JPZYDAHQZZUXQW-IBGZPJMESA-N 2 1 396.406 3.999 20 0 GHADMP C[NH+]1CCC(N(C2CC[NH2+]CC2)[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246993000 1037818832 /nfs/dbraw/zinc/81/88/32/1037818832.db2.gz JPZYDAHQZZUXQW-IBGZPJMESA-N 2 1 396.406 3.999 20 0 GHADMP COC(=O)[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000415 1037822797 /nfs/dbraw/zinc/82/27/97/1037822797.db2.gz MGYDGQOMPLKOJY-LUKWVAJMSA-N 2 1 378.516 3.586 20 0 GHADMP COCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001232299491 1038042820 /nfs/dbraw/zinc/04/28/20/1038042820.db2.gz DQHKPDWLYXLJRY-DQEYMECFSA-N 2 1 398.591 3.794 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cn1 ZINC001232329208 1038107271 /nfs/dbraw/zinc/10/72/71/1038107271.db2.gz OEEMQVSSQPYOEC-UHFFFAOYSA-N 2 1 383.561 3.671 20 0 GHADMP CN(Cc1ccc(N2CCN(C)CC2)nc1)Cc1ccc(Cl)cc1Cl ZINC001232360294 1038140667 /nfs/dbraw/zinc/14/06/67/1038140667.db2.gz DQYRFVOLHPXMNU-UHFFFAOYSA-N 2 1 379.335 3.772 20 0 GHADMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C3CCSCC3)cn2)CC1 ZINC001232363163 1038141658 /nfs/dbraw/zinc/14/16/58/1038141658.db2.gz HZYCTBDVQUCPPY-UHFFFAOYSA-N 2 1 396.604 3.731 20 0 GHADMP COc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c2ccccc12 ZINC001247906441 1038478155 /nfs/dbraw/zinc/47/81/55/1038478155.db2.gz WXKYODFMZUJAKC-INIZCTEOSA-N 2 1 392.503 3.830 20 0 GHADMP Fc1cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c(F)cc1Cl ZINC001247908676 1038481938 /nfs/dbraw/zinc/48/19/38/1038481938.db2.gz APJDKJKYBYNGDZ-UHFFFAOYSA-N 2 1 382.842 3.600 20 0 GHADMP Cc1c(F)ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1Cl ZINC001247910017 1038483524 /nfs/dbraw/zinc/48/35/24/1038483524.db2.gz YCBUBWDLVQIMGK-UHFFFAOYSA-N 2 1 378.879 3.769 20 0 GHADMP c1nc2ccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)cc2s1 ZINC001232739453 1038527250 /nfs/dbraw/zinc/52/72/50/1038527250.db2.gz DHNHWCKNXNPCOL-UHFFFAOYSA-N 2 1 381.549 3.537 20 0 GHADMP CCc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001462310526 1070160985 /nfs/dbraw/zinc/16/09/85/1070160985.db2.gz CULVQOYDGUODTG-KPFFTGBYSA-N 2 1 375.557 3.887 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC[NH+](C3CCCC3)CC2)c1 ZINC001252013954 1038812126 /nfs/dbraw/zinc/81/21/26/1038812126.db2.gz HOKNBGQQEPZFMP-HSZRJFAPSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC001252013954 1038812159 /nfs/dbraw/zinc/81/21/59/1038812159.db2.gz HOKNBGQQEPZFMP-HSZRJFAPSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC001252013954 1038812181 /nfs/dbraw/zinc/81/21/81/1038812181.db2.gz HOKNBGQQEPZFMP-HSZRJFAPSA-N 2 1 383.580 3.826 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCC1)c1ccccc1 ZINC001252069360 1038843237 /nfs/dbraw/zinc/84/32/37/1038843237.db2.gz QBQNSHMMAKAAAT-TZIWHRDSSA-N 2 1 384.568 3.530 20 0 GHADMP Fc1ccc2c(c1)n[nH]c2C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001233120346 1038906538 /nfs/dbraw/zinc/90/65/38/1038906538.db2.gz AVDUBWNMKPACLL-UHFFFAOYSA-N 2 1 379.483 3.585 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001252381978 1038967594 /nfs/dbraw/zinc/96/75/94/1038967594.db2.gz WDMROFDLKDNJPY-JOCHJYFZSA-N 2 1 394.559 3.920 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001252381978 1038967597 /nfs/dbraw/zinc/96/75/97/1038967597.db2.gz WDMROFDLKDNJPY-JOCHJYFZSA-N 2 1 394.559 3.920 20 0 GHADMP Cc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001233249131 1039009754 /nfs/dbraw/zinc/00/97/54/1039009754.db2.gz KRGXQIYQASYREM-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP COc1c(O)cccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001233255865 1039023548 /nfs/dbraw/zinc/02/35/48/1039023548.db2.gz GGZVEVABUKRGDG-NRFANRHFSA-N 2 1 396.531 3.656 20 0 GHADMP O=c1ccc2c(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294314 1039078482 /nfs/dbraw/zinc/07/84/82/1039078482.db2.gz FUGANYXKYKUOAU-DEOSSOPVSA-N 2 1 389.499 3.744 20 0 GHADMP O=c1ccc2c(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294314 1039078501 /nfs/dbraw/zinc/07/85/01/1039078501.db2.gz FUGANYXKYKUOAU-DEOSSOPVSA-N 2 1 389.499 3.744 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294314 1039078550 /nfs/dbraw/zinc/07/85/50/1039078550.db2.gz FUGANYXKYKUOAU-DEOSSOPVSA-N 2 1 389.499 3.744 20 0 GHADMP CCOC(=O)c1ccnc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001233326572 1039119665 /nfs/dbraw/zinc/11/96/65/1039119665.db2.gz JFOZUBIPWTYQIC-UHFFFAOYSA-N 2 1 381.520 3.602 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252929239 1039266862 /nfs/dbraw/zinc/26/68/62/1039266862.db2.gz DURQZQYGVVVOQM-XMMPIXPASA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929239 1039266870 /nfs/dbraw/zinc/26/68/70/1039266870.db2.gz DURQZQYGVVVOQM-XMMPIXPASA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[NH2+]CCSCc2ccccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252943274 1039288266 /nfs/dbraw/zinc/28/82/66/1039288266.db2.gz DHILJTQAGGEIDM-NRFANRHFSA-N 2 1 390.980 3.800 20 0 GHADMP O[C@]1(C[NH2+]CCSCc2ccccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943274 1039288278 /nfs/dbraw/zinc/28/82/78/1039288278.db2.gz DHILJTQAGGEIDM-NRFANRHFSA-N 2 1 390.980 3.800 20 0 GHADMP Cc1ccc2c(C[C@H](C)[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001252949145 1039293421 /nfs/dbraw/zinc/29/34/21/1039293421.db2.gz HWICKRPORMYLIZ-CYFREDJKSA-N 2 1 377.532 3.634 20 0 GHADMP Cc1ccc2c(C[C@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001252949145 1039293436 /nfs/dbraw/zinc/29/34/36/1039293436.db2.gz HWICKRPORMYLIZ-CYFREDJKSA-N 2 1 377.532 3.634 20 0 GHADMP O[C@]1(C[NH2+][C@@H](CC2CCOCC2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950173 1039294558 /nfs/dbraw/zinc/29/45/58/1039294558.db2.gz FPXDGPXMWDJWQJ-DQEYMECFSA-N 2 1 394.559 3.771 20 0 GHADMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H]1C(OC)(c1ccccc1)c1ccccc1 ZINC001253195560 1039469696 /nfs/dbraw/zinc/46/96/96/1039469696.db2.gz RETLDNVPLPUJSR-RPWUZVMVSA-N 2 1 396.575 3.744 20 0 GHADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254035923 1039967727 /nfs/dbraw/zinc/96/77/27/1039967727.db2.gz DDYHWFNFKXQTBI-HSZRJFAPSA-N 2 1 394.559 3.865 20 0 GHADMP OC1(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254035760 1039967803 /nfs/dbraw/zinc/96/78/03/1039967803.db2.gz BGYUZLKVVYCXBK-SGNDLWITSA-N 2 1 398.591 3.541 20 0 GHADMP COc1ccccc1[C@@H]1CCC[N@H+]1CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254038416 1039968364 /nfs/dbraw/zinc/96/83/64/1039968364.db2.gz HGZWVCUGJYGOGR-QFIPXVFZSA-N 2 1 380.532 3.859 20 0 GHADMP Cc1ccc(O[C@H]2CCC[N@@H+](CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001254038111 1039969247 /nfs/dbraw/zinc/96/92/47/1039969247.db2.gz YSHNYGXZVFLESJ-DEOSSOPVSA-N 2 1 394.559 3.865 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254188280 1040036476 /nfs/dbraw/zinc/03/64/76/1040036476.db2.gz JEJNRGQGAAYFRX-IBGZPJMESA-N 2 1 388.556 3.738 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001254240193 1040092075 /nfs/dbraw/zinc/09/20/75/1040092075.db2.gz BTWBCRKPCCMUSD-GUDVDZBRSA-N 2 1 393.572 3.675 20 0 GHADMP CCC[C@H](CCc1ccccc1)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001254495246 1040281602 /nfs/dbraw/zinc/28/16/02/1040281602.db2.gz SNYCMQOIOXBWEB-JOCHJYFZSA-N 2 1 398.595 3.969 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn([C@@H]3CCC[N@@H+](C)CC3)c3nccc2-3)cc1 ZINC001254508827 1040288450 /nfs/dbraw/zinc/28/84/50/1040288450.db2.gz RZXLZBINQQXYLT-VQIMIIECSA-N 2 1 391.519 3.917 20 0 GHADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001254520906 1040296433 /nfs/dbraw/zinc/29/64/33/1040296433.db2.gz ZJGZJPNAYUVCJX-IBGZPJMESA-N 2 1 375.582 3.551 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001254520906 1040296447 /nfs/dbraw/zinc/29/64/47/1040296447.db2.gz ZJGZJPNAYUVCJX-IBGZPJMESA-N 2 1 375.582 3.551 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)CC1 ZINC001254521350 1040296521 /nfs/dbraw/zinc/29/65/21/1040296521.db2.gz JKHFRZWADHRMRI-FQEVSTJZSA-N 2 1 393.575 3.524 20 0 GHADMP CCOC(=O)c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001234949748 1040452529 /nfs/dbraw/zinc/45/25/29/1040452529.db2.gz DJBFEQCGDWTWIG-SFTDATJTSA-N 2 1 381.520 3.535 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001234990721 1040485392 /nfs/dbraw/zinc/48/53/92/1040485392.db2.gz DRXKRNQNWGVGFI-KRWDZBQOSA-N 2 1 384.471 3.743 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)s1 ZINC001234990721 1040485399 /nfs/dbraw/zinc/48/53/99/1040485399.db2.gz DRXKRNQNWGVGFI-KRWDZBQOSA-N 2 1 384.471 3.743 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)c2c(OC)cccc12 ZINC001235086281 1040575130 /nfs/dbraw/zinc/57/51/30/1040575130.db2.gz AWTCODLVLSDWOT-FQEVSTJZSA-N 2 1 376.447 3.678 20 0 GHADMP Brc1cnc2[nH]cc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235153452 1040645213 /nfs/dbraw/zinc/64/52/13/1040645213.db2.gz KERQHOJUWVBCSE-KRWDZBQOSA-N 2 1 377.330 3.680 20 0 GHADMP COc1ccc(F)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1Br ZINC001235153152 1040645570 /nfs/dbraw/zinc/64/55/70/1040645570.db2.gz FOKUSQREOXPVBO-INIZCTEOSA-N 2 1 385.321 3.951 20 0 GHADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155448 1040648018 /nfs/dbraw/zinc/64/80/18/1040648018.db2.gz LDIYGRSJJNJKRT-LJQANCHMSA-N 2 1 380.374 3.869 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(Br)c1OC ZINC001235157976 1040651249 /nfs/dbraw/zinc/65/12/49/1040651249.db2.gz SVUBOHVCGJPLSJ-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP CCOc1ncc(Br)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235157842 1040651652 /nfs/dbraw/zinc/65/16/52/1040651652.db2.gz SDPHCEGCHZODIA-KRWDZBQOSA-N 2 1 382.346 3.597 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@@H]3CC(=O)C[C@@H]3C1)CC2 ZINC001254948544 1040685030 /nfs/dbraw/zinc/68/50/30/1040685030.db2.gz NGMYCSMQOVLVJV-YDZRNGNQSA-N 2 1 388.577 3.561 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1O ZINC001235231398 1040711416 /nfs/dbraw/zinc/71/14/16/1040711416.db2.gz YEFBHVYCHAWWTG-INIZCTEOSA-N 2 1 383.330 3.517 20 0 GHADMP O=c1[nH]cc(Br)c2oc(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)cc21 ZINC001235239861 1040720981 /nfs/dbraw/zinc/72/09/81/1040720981.db2.gz JNOWBIYBPVVWJQ-MRXNPFEDSA-N 2 1 394.313 3.650 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)n1 ZINC001235259596 1040741753 /nfs/dbraw/zinc/74/17/53/1040741753.db2.gz QWONQIOALJGKAA-HXUWFJFHSA-N 2 1 385.577 3.961 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255122626 1040812146 /nfs/dbraw/zinc/81/21/46/1040812146.db2.gz SUYVEWMFSWVJAC-GPJHCHHRSA-N 2 1 391.559 3.511 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130544 1040825114 /nfs/dbraw/zinc/82/51/14/1040825114.db2.gz VRMBDCCKFFUJSN-MJTJJFPGSA-N 2 1 391.559 3.677 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255130211 1040825477 /nfs/dbraw/zinc/82/54/77/1040825477.db2.gz ASHSEMPYYDTGLL-WBDAEOGXSA-N 2 1 398.595 3.698 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCN(c4cccnc4)CC2)C3)cc1 ZINC001255130329 1040825693 /nfs/dbraw/zinc/82/56/93/1040825693.db2.gz SWNVVLHGVALVMK-NUNAXRQHSA-N 2 1 376.548 3.836 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@@H+](Cc2cccc(Oc4ncccn4)c2)C3)cc1 ZINC001235351855 1040829869 /nfs/dbraw/zinc/82/98/69/1040829869.db2.gz WRCJOAFRGFPHRT-ISKFKSNPSA-N 2 1 386.499 3.848 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](Cc2cccc(Oc4ncccn4)c2)C3)cc1 ZINC001235351855 1040829886 /nfs/dbraw/zinc/82/98/86/1040829886.db2.gz WRCJOAFRGFPHRT-ISKFKSNPSA-N 2 1 386.499 3.848 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(C)c(Cl)c3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235352276 1040830274 /nfs/dbraw/zinc/83/02/74/1040830274.db2.gz NWJIOWMWEUQKKX-KXBFYZLASA-N 2 1 385.335 3.667 20 0 GHADMP COC(=O)Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255135265 1040836157 /nfs/dbraw/zinc/83/61/57/1040836157.db2.gz ICVRSQVLYNMFDT-NUNAXRQHSA-N 2 1 378.516 3.687 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136940 1040840932 /nfs/dbraw/zinc/84/09/32/1040840932.db2.gz ONNTZIZXRIWNLA-WKCHPHFGSA-N 2 1 385.552 3.639 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136940 1040840938 /nfs/dbraw/zinc/84/09/38/1040840938.db2.gz ONNTZIZXRIWNLA-WKCHPHFGSA-N 2 1 385.552 3.639 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001235365364 1040855262 /nfs/dbraw/zinc/85/52/62/1040855262.db2.gz NYCBWAFWIRKCSK-DMDYGQEQSA-N 2 1 389.587 3.762 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC001255143128 1040855519 /nfs/dbraw/zinc/85/55/19/1040855519.db2.gz VVXHUROMPBZJAN-QEIWAGNOSA-N 2 1 375.560 4.000 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CCCC1 ZINC001255145980 1040857418 /nfs/dbraw/zinc/85/74/18/1040857418.db2.gz YGXZTCBWPWKKKB-AFXVXQJMSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CCCC1 ZINC001255145980 1040857433 /nfs/dbraw/zinc/85/74/33/1040857433.db2.gz YGXZTCBWPWKKKB-AFXVXQJMSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCC1 ZINC001255145980 1040857455 /nfs/dbraw/zinc/85/74/55/1040857455.db2.gz YGXZTCBWPWKKKB-AFXVXQJMSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCC1 ZINC001255145980 1040857464 /nfs/dbraw/zinc/85/74/64/1040857464.db2.gz YGXZTCBWPWKKKB-AFXVXQJMSA-N 2 1 381.564 3.659 20 0 GHADMP COc1ccc(O[C@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255150819 1040869950 /nfs/dbraw/zinc/86/99/50/1040869950.db2.gz OWXRBANXMFNPCN-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)nc1 ZINC001255150819 1040869975 /nfs/dbraw/zinc/86/99/75/1040869975.db2.gz OWXRBANXMFNPCN-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001255150819 1040869988 /nfs/dbraw/zinc/86/99/88/1040869988.db2.gz OWXRBANXMFNPCN-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001255188948 1040895308 /nfs/dbraw/zinc/89/53/08/1040895308.db2.gz QUHFJCKVHPVSHC-KJJMTIBFSA-N 2 1 385.552 3.640 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)cc1 ZINC001235398406 1040912383 /nfs/dbraw/zinc/91/23/83/1040912383.db2.gz VNRZSDSQWQQENY-QUCCMNQESA-N 2 1 383.511 3.972 20 0 GHADMP Brc1ccc2n[nH]c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423748 1040925847 /nfs/dbraw/zinc/92/58/47/1040925847.db2.gz GVLRSUWXRRMUTN-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423748 1040925856 /nfs/dbraw/zinc/92/58/56/1040925856.db2.gz GVLRSUWXRRMUTN-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423748 1040925868 /nfs/dbraw/zinc/92/58/68/1040925868.db2.gz GVLRSUWXRRMUTN-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001255264420 1040932857 /nfs/dbraw/zinc/93/28/57/1040932857.db2.gz NBGIRNISLLBUEG-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001255264420 1040932864 /nfs/dbraw/zinc/93/28/64/1040932864.db2.gz NBGIRNISLLBUEG-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP COc1cncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001235464766 1040950547 /nfs/dbraw/zinc/95/05/47/1040950547.db2.gz OQCQBNHRTOLUJX-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC001255390563 1040978178 /nfs/dbraw/zinc/97/81/78/1040978178.db2.gz IXXABKZLUAWYFM-NRFANRHFSA-N 2 1 386.511 3.995 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2cc4c(s2)C[NH2+]CC4)CC3)cc1 ZINC001235539457 1040980571 /nfs/dbraw/zinc/98/05/71/1040980571.db2.gz ZJAKODFGJWCGDC-UHFFFAOYSA-N 2 1 394.519 3.591 20 0 GHADMP O=C1CCCCN1c1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001255392927 1040981173 /nfs/dbraw/zinc/98/11/73/1040981173.db2.gz NFIQOSBUMDQKMB-QFIPXVFZSA-N 2 1 392.547 3.743 20 0 GHADMP O=C1CCCCN1c1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001255392927 1040981174 /nfs/dbraw/zinc/98/11/74/1040981174.db2.gz NFIQOSBUMDQKMB-QFIPXVFZSA-N 2 1 392.547 3.743 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c(F)ccc(N)c1F)CC2 ZINC001235542501 1040981508 /nfs/dbraw/zinc/98/15/08/1040981508.db2.gz RPMMQGAFSCRQCX-UHFFFAOYSA-N 2 1 386.490 3.819 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cc4c(s2)C[NH2+]CC4)C3)c1 ZINC001235548604 1040982750 /nfs/dbraw/zinc/98/27/50/1040982750.db2.gz WLATYHWTYIHMFF-OFNKIYASSA-N 2 1 397.588 3.916 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(C[C@@H]3Cc4ccccc4C[NH2+]3)C[C@@H]21 ZINC001235558683 1040986267 /nfs/dbraw/zinc/98/62/67/1040986267.db2.gz LFSCQGFWRFDXAW-HIGZBPRKSA-N 2 1 395.616 3.995 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](n3nc(COCC4CC4)c4c3C[NH2+]C4)CC2)cc1 ZINC001255401920 1040988370 /nfs/dbraw/zinc/98/83/70/1040988370.db2.gz YQGHPQSADNBWTK-FQEVSTJZSA-N 2 1 380.536 3.640 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](n3c4ccccc4nc3N3CC[NH2+]CC3)CC2)cc1 ZINC001255408125 1040994555 /nfs/dbraw/zinc/99/45/55/1040994555.db2.gz IKODKEJEJOYDAI-NRFANRHFSA-N 2 1 389.547 3.673 20 0 GHADMP CC1(C)N[C@@H](CC[NH+]2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)CO1 ZINC001235575754 1040994855 /nfs/dbraw/zinc/99/48/55/1040994855.db2.gz PNAGYNKMRHUNKM-SFHVURJKSA-N 2 1 377.598 3.541 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408819 1040996116 /nfs/dbraw/zinc/99/61/16/1040996116.db2.gz CAGUHVDFXBLHPW-OAQYLSRUSA-N 2 1 380.536 3.683 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](N3CC[NH+]4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409533 1040997396 /nfs/dbraw/zinc/99/73/96/1040997396.db2.gz ZTIDESJOJYQOFW-UKILVPOCSA-N 2 1 375.560 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409533 1040997397 /nfs/dbraw/zinc/99/73/97/1040997397.db2.gz ZTIDESJOJYQOFW-UKILVPOCSA-N 2 1 375.560 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](N3CC[N@H+]4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409533 1040997398 /nfs/dbraw/zinc/99/73/98/1040997398.db2.gz ZTIDESJOJYQOFW-UKILVPOCSA-N 2 1 375.560 3.956 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409656 1040998473 /nfs/dbraw/zinc/99/84/73/1040998473.db2.gz KERIKFJWKOAZIE-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409656 1040998489 /nfs/dbraw/zinc/99/84/89/1040998489.db2.gz KERIKFJWKOAZIE-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409656 1040998492 /nfs/dbraw/zinc/99/84/92/1040998492.db2.gz KERIKFJWKOAZIE-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP COc1cc(OC2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)ccn1 ZINC001255409926 1040999319 /nfs/dbraw/zinc/99/93/19/1040999319.db2.gz NHTNHOYTYJGWTJ-NRFANRHFSA-N 2 1 395.547 3.988 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410321 1041001774 /nfs/dbraw/zinc/00/17/74/1041001774.db2.gz UKOCUZICNBWWKX-GGAORHGYSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410321 1041001796 /nfs/dbraw/zinc/00/17/96/1041001796.db2.gz UKOCUZICNBWWKX-GGAORHGYSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410321 1041001830 /nfs/dbraw/zinc/00/18/30/1041001830.db2.gz UKOCUZICNBWWKX-GGAORHGYSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410321 1041001857 /nfs/dbraw/zinc/00/18/57/1041001857.db2.gz UKOCUZICNBWWKX-GGAORHGYSA-N 2 1 378.516 3.814 20 0 GHADMP C[N@@H+]1CCC[C@@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC001255473286 1041074206 /nfs/dbraw/zinc/07/42/06/1041074206.db2.gz SHOCVUQJPLPLHD-IRLDBZIGSA-N 2 1 391.515 3.521 20 0 GHADMP C[N@H+]1CCC[C@@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC001255473286 1041074221 /nfs/dbraw/zinc/07/42/21/1041074221.db2.gz SHOCVUQJPLPLHD-IRLDBZIGSA-N 2 1 391.515 3.521 20 0 GHADMP CN1CCC[C@@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255478631 1041077682 /nfs/dbraw/zinc/07/76/82/1041077682.db2.gz WRTXZUPYLBFDHC-GUDVDZBRSA-N 2 1 380.374 3.615 20 0 GHADMP COc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(OC)c1C ZINC001235646367 1041086313 /nfs/dbraw/zinc/08/63/13/1041086313.db2.gz NIGYTJFKUNFUCC-UHFFFAOYSA-N 2 1 398.551 3.647 20 0 GHADMP COc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(OC)c1C ZINC001235646367 1041086332 /nfs/dbraw/zinc/08/63/32/1041086332.db2.gz NIGYTJFKUNFUCC-UHFFFAOYSA-N 2 1 398.551 3.647 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659198 1041108874 /nfs/dbraw/zinc/10/88/74/1041108874.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659198 1041108892 /nfs/dbraw/zinc/10/88/92/1041108892.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3[C@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659198 1041108899 /nfs/dbraw/zinc/10/88/99/1041108899.db2.gz CXVXJEUNYACOAU-TWUVWWFLSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C[C@@H]3Cc4ccccc4C[NH2+]3)C[C@@H]21 ZINC001235659426 1041109718 /nfs/dbraw/zinc/10/97/18/1041109718.db2.gz FARATELWHYNFTH-VDVKDMFPSA-N 2 1 375.560 3.811 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660899 1041111319 /nfs/dbraw/zinc/11/13/19/1041111319.db2.gz IIWMAEXUGNDXRT-MTNREXPMSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660899 1041111343 /nfs/dbraw/zinc/11/13/43/1041111343.db2.gz IIWMAEXUGNDXRT-MTNREXPMSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660899 1041111397 /nfs/dbraw/zinc/11/13/97/1041111397.db2.gz IIWMAEXUGNDXRT-MTNREXPMSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660899 1041111407 /nfs/dbraw/zinc/11/14/07/1041111407.db2.gz IIWMAEXUGNDXRT-MTNREXPMSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660899 1041111421 /nfs/dbraw/zinc/11/14/21/1041111421.db2.gz IIWMAEXUGNDXRT-MTNREXPMSA-N 3 1 396.604 3.521 20 0 GHADMP Cc1cc(N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c2ccccc2[nH+]1 ZINC001255597107 1041157429 /nfs/dbraw/zinc/15/74/29/1041157429.db2.gz ABQFQRCUQRWYQB-GOSISDBHSA-N 2 1 396.535 3.675 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H](C)CC(F)(F)F)CC3)C2)c1 ZINC001255652570 1041192928 /nfs/dbraw/zinc/19/29/28/1041192928.db2.gz UAMWQKOODXSJBL-INIZCTEOSA-N 2 1 386.458 3.703 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@@H](C)CC(F)(F)F)CC3)C2)c1 ZINC001255652570 1041192932 /nfs/dbraw/zinc/19/29/32/1041192932.db2.gz UAMWQKOODXSJBL-INIZCTEOSA-N 2 1 386.458 3.703 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661350 1041199295 /nfs/dbraw/zinc/19/92/95/1041199295.db2.gz AHFKZCKPNDXNCB-KGEPEWOVSA-N 2 1 379.589 3.875 20 0 GHADMP COC(=O)c1cccc(C[N@H+](C2C[C@H]3CCC[C@@H](C2)N3C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255672869 1041204217 /nfs/dbraw/zinc/20/42/17/1041204217.db2.gz XMBFABKETRJGSO-LEKVTHMOSA-N 2 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255672869 1041204224 /nfs/dbraw/zinc/20/42/24/1041204224.db2.gz XMBFABKETRJGSO-LEKVTHMOSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255672869 1041204239 /nfs/dbraw/zinc/20/42/39/1041204239.db2.gz XMBFABKETRJGSO-LEKVTHMOSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255672869 1041204250 /nfs/dbraw/zinc/20/42/50/1041204250.db2.gz XMBFABKETRJGSO-LEKVTHMOSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255672869 1041204264 /nfs/dbraw/zinc/20/42/64/1041204264.db2.gz XMBFABKETRJGSO-LEKVTHMOSA-N 3 1 399.579 3.560 20 0 GHADMP Cc1noc(C)c1C[NH+]1CCCC12CCN(C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255676997 1041208835 /nfs/dbraw/zinc/20/88/35/1041208835.db2.gz KDZFBLMAQCCTJQ-WCRBZPEASA-N 2 1 386.584 3.737 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255676997 1041208844 /nfs/dbraw/zinc/20/88/44/1041208844.db2.gz KDZFBLMAQCCTJQ-WCRBZPEASA-N 2 1 386.584 3.737 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255676997 1041208854 /nfs/dbraw/zinc/20/88/54/1041208854.db2.gz KDZFBLMAQCCTJQ-WCRBZPEASA-N 2 1 386.584 3.737 20 0 GHADMP CNC(=O)C[C@H]1CC2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001255678787 1041210070 /nfs/dbraw/zinc/21/00/70/1041210070.db2.gz MFUOANIPKJBRPC-CBQMWWCCSA-N 2 1 395.591 3.659 20 0 GHADMP CNC(=O)C[C@@H]1CC2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001255678788 1041210487 /nfs/dbraw/zinc/21/04/87/1041210487.db2.gz MFUOANIPKJBRPC-MQEZQYLSSA-N 2 1 395.591 3.659 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)C1 ZINC001255706688 1041228482 /nfs/dbraw/zinc/22/84/82/1041228482.db2.gz WXTQSFBJUAPAPK-NUJGCVRESA-N 2 1 390.490 3.847 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)C1 ZINC001255706688 1041228494 /nfs/dbraw/zinc/22/84/94/1041228494.db2.gz WXTQSFBJUAPAPK-NUJGCVRESA-N 2 1 390.490 3.847 20 0 GHADMP CC(C)c1cc(Br)ccc1CN1CC[NH+](C2(C)CC[NH2+]CC2)CC1 ZINC001235821263 1041339340 /nfs/dbraw/zinc/33/93/40/1041339340.db2.gz FUIIBNXNTALFJY-UHFFFAOYSA-N 2 1 394.401 3.832 20 0 GHADMP C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001255849098 1041343129 /nfs/dbraw/zinc/34/31/29/1041343129.db2.gz POCYUUWEPBZKJL-MWIHYIROSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@H](Cc1ccccc1F)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001255849098 1041343143 /nfs/dbraw/zinc/34/31/43/1041343143.db2.gz POCYUUWEPBZKJL-MWIHYIROSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001255849098 1041343169 /nfs/dbraw/zinc/34/31/69/1041343169.db2.gz POCYUUWEPBZKJL-MWIHYIROSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001255849098 1041343184 /nfs/dbraw/zinc/34/31/84/1041343184.db2.gz POCYUUWEPBZKJL-MWIHYIROSA-N 2 1 396.554 3.828 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001235833471 1041358545 /nfs/dbraw/zinc/35/85/45/1041358545.db2.gz FDGBWMZBZILLML-FCEWJHQRSA-N 2 1 389.609 3.689 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001255904173 1041386149 /nfs/dbraw/zinc/38/61/49/1041386149.db2.gz ZOBYUGATMZDATM-SFHVURJKSA-N 2 1 393.959 3.989 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OCCOC)c(C(F)(F)F)c1 ZINC001255954326 1041433932 /nfs/dbraw/zinc/43/39/32/1041433932.db2.gz UOMLAQZPQSBUQH-OAHLLOKOSA-N 2 1 376.463 3.941 20 0 GHADMP COCC[N@H+](Cc1ccc(-c2cnc(Cl)c(F)c2)cc1)C1CC[NH2+]CC1 ZINC001235944515 1041450055 /nfs/dbraw/zinc/45/00/55/1041450055.db2.gz OOKHMNOQSKSVHY-UHFFFAOYSA-N 2 1 377.891 3.742 20 0 GHADMP COCC[N@@H+](Cc1ccc(-c2cnc(Cl)c(F)c2)cc1)C1CC[NH2+]CC1 ZINC001235944515 1041450068 /nfs/dbraw/zinc/45/00/68/1041450068.db2.gz OOKHMNOQSKSVHY-UHFFFAOYSA-N 2 1 377.891 3.742 20 0 GHADMP COCC[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235944158 1041450123 /nfs/dbraw/zinc/45/01/23/1041450123.db2.gz KOQJYPANFICQBN-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP COCC[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235944158 1041450140 /nfs/dbraw/zinc/45/01/40/1041450140.db2.gz KOQJYPANFICQBN-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP COCC[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235947136 1041451686 /nfs/dbraw/zinc/45/16/86/1041451686.db2.gz WXRGHTQNIBWZBJ-UHFFFAOYSA-N 2 1 384.364 3.925 20 0 GHADMP COCC[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235947136 1041451698 /nfs/dbraw/zinc/45/16/98/1041451698.db2.gz WXRGHTQNIBWZBJ-UHFFFAOYSA-N 2 1 384.364 3.925 20 0 GHADMP CCCCCCc1ccc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)s1 ZINC001236035505 1041511345 /nfs/dbraw/zinc/51/13/45/1041511345.db2.gz DQPWYNSJPJMXHU-QEMXTEJRSA-N 2 1 390.593 3.701 20 0 GHADMP CCOC(=O)[C@]12C[N@H+](Cc3sc(Cl)c4ccccc43)C[C@H]1C[NH2+]CC2 ZINC001236041149 1041511994 /nfs/dbraw/zinc/51/19/94/1041511994.db2.gz PWACNCFSRUWTFS-BFUOFWGJSA-N 2 1 378.925 3.529 20 0 GHADMP CCOC(=O)[C@]12C[N@@H+](Cc3sc(Cl)c4ccccc43)C[C@H]1C[NH2+]CC2 ZINC001236041149 1041512000 /nfs/dbraw/zinc/51/20/00/1041512000.db2.gz PWACNCFSRUWTFS-BFUOFWGJSA-N 2 1 378.925 3.529 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC001236067768 1041520604 /nfs/dbraw/zinc/52/06/04/1041520604.db2.gz WCNPNVRKYKAAFN-LJQANCHMSA-N 2 1 390.568 3.700 20 0 GHADMP [NH3+]CC1C[NH+]([C@H]2CCCN(Cc3c(Cl)c(Cl)ccc3C(F)(F)F)C2)C1 ZINC001236080069 1041524858 /nfs/dbraw/zinc/52/48/58/1041524858.db2.gz QIQRMVZWEOMNQR-LBPRGKRZSA-N 2 1 396.284 3.867 20 0 GHADMP [NH3+]CC1CN([C@H]2CCC[N@@H+](Cc3ccccc3Oc3cccc(Cl)c3)C2)C1 ZINC001236081083 1041526492 /nfs/dbraw/zinc/52/64/92/1041526492.db2.gz XYOKRSKVTSKSKS-FQEVSTJZSA-N 2 1 385.939 3.987 20 0 GHADMP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236090345 1041527333 /nfs/dbraw/zinc/52/73/33/1041527333.db2.gz JQYZXJNDGDOVKX-QHCPKHFHSA-N 2 1 380.532 3.922 20 0 GHADMP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236090345 1041527349 /nfs/dbraw/zinc/52/73/49/1041527349.db2.gz JQYZXJNDGDOVKX-QHCPKHFHSA-N 2 1 380.532 3.922 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236099184 1041535885 /nfs/dbraw/zinc/53/58/85/1041535885.db2.gz XGEAVUXDAISHLA-PKTZIBPZSA-N 2 1 378.516 3.644 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)Cc1ccc2c(c1)C[NH2+]C2 ZINC001236154291 1041575159 /nfs/dbraw/zinc/57/51/59/1041575159.db2.gz PLYZMKRZNXXKOM-AQKFKSFVSA-N 2 1 390.568 3.883 20 0 GHADMP C[NH2+]C1CCC([N@H+](C)Cc2c(Cl)cccc2I)CC1 ZINC001236214776 1041623811 /nfs/dbraw/zinc/62/38/11/1041623811.db2.gz GUNRQJMREFZPQU-UHFFFAOYSA-N 2 1 392.712 3.907 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(Cl)cccc2I)CC1 ZINC001236214776 1041623816 /nfs/dbraw/zinc/62/38/16/1041623816.db2.gz GUNRQJMREFZPQU-UHFFFAOYSA-N 2 1 392.712 3.907 20 0 GHADMP [NH3+]C1CCC([N@@H+](CCOCCOCc2ccccc2)Cc2ccccc2)CC1 ZINC001236228810 1041633504 /nfs/dbraw/zinc/63/35/04/1041633504.db2.gz ZUKUREVHZQRTIQ-UHFFFAOYSA-N 2 1 382.548 3.992 20 0 GHADMP Cn1cnc2c1cc(C1CC[NH+](C3CC[NH+](C)CC3)CC1)nc2-c1ccccc1 ZINC001256204527 1041646133 /nfs/dbraw/zinc/64/61/33/1041646133.db2.gz SYSDZHFFXYJTGI-UHFFFAOYSA-N 2 1 389.547 3.909 20 0 GHADMP C[NH+]1CCC([N@@H+]2CC[C@@]3(CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001256203390 1041646160 /nfs/dbraw/zinc/64/61/60/1041646160.db2.gz HFMVXMGPCMAWOE-QPPBQGQZSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC([N@H+]2CC[C@@]3(CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001256203390 1041646169 /nfs/dbraw/zinc/64/61/69/1041646169.db2.gz HFMVXMGPCMAWOE-QPPBQGQZSA-N 2 1 399.579 3.807 20 0 GHADMP COc1cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1-n1cnc(C)c1 ZINC001236300939 1041665288 /nfs/dbraw/zinc/66/52/88/1041665288.db2.gz QUQDPBFQJRRNDZ-UHFFFAOYSA-N 2 1 390.531 3.944 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1-n1cnc(C)c1 ZINC001236300939 1041665292 /nfs/dbraw/zinc/66/52/92/1041665292.db2.gz QUQDPBFQJRRNDZ-UHFFFAOYSA-N 2 1 390.531 3.944 20 0 GHADMP Brc1ccn2cc(C[N@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)nc2c1 ZINC001236375279 1041687059 /nfs/dbraw/zinc/68/70/59/1041687059.db2.gz ISRPOSYAGJJENO-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP Brc1ccn2cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)nc2c1 ZINC001236375279 1041687061 /nfs/dbraw/zinc/68/70/61/1041687061.db2.gz ISRPOSYAGJJENO-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP COc1ccc(Cn2cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cn2)cc1 ZINC001236375590 1041687486 /nfs/dbraw/zinc/68/74/86/1041687486.db2.gz LHMJEWZFAKEZTP-FQEVSTJZSA-N 2 1 382.552 3.684 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383557 1041691481 /nfs/dbraw/zinc/69/14/81/1041691481.db2.gz TXKLODVALFZBHS-UHFFFAOYSA-N 2 1 393.547 3.932 20 0 GHADMP CC[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236411134 1041705462 /nfs/dbraw/zinc/70/54/62/1041705462.db2.gz MXWYSXTXTPQRQN-LBPRGKRZSA-N 2 1 381.236 3.779 20 0 GHADMP COc1ccc(CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001236439491 1041711785 /nfs/dbraw/zinc/71/17/85/1041711785.db2.gz GREZNFTWLVBFJE-QHCPKHFHSA-N 2 1 393.575 3.771 20 0 GHADMP CCOCC[N@@H+](Cc1c[nH]c2c1cccc2Br)C1CC[NH2+]CC1 ZINC001236460403 1041722652 /nfs/dbraw/zinc/72/26/52/1041722652.db2.gz DOHXEIHHPOYEGC-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236459166 1041722672 /nfs/dbraw/zinc/72/26/72/1041722672.db2.gz GRDNYQXKVHHFLB-UHFFFAOYSA-N 2 1 397.357 3.836 20 0 GHADMP CCOCC[N@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH2+]CC1 ZINC001236462830 1041725254 /nfs/dbraw/zinc/72/52/54/1041725254.db2.gz XYRLXVZQOBFNHE-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP CCOCC[N@@H+](Cc1cc(Cl)cc(Br)c1)C1CC[NH2+]CC1 ZINC001236462830 1041725262 /nfs/dbraw/zinc/72/52/62/1041725262.db2.gz XYRLXVZQOBFNHE-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP COC(=O)c1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1Br ZINC001236550388 1041758757 /nfs/dbraw/zinc/75/87/57/1041758757.db2.gz HEEUVOFWYURZGR-WKILWMFISA-N 2 1 395.341 3.718 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2I)CC2CC2)CC1 ZINC001236551733 1041759824 /nfs/dbraw/zinc/75/98/24/1041759824.db2.gz MBKFNCSZPUKRRK-WKILWMFISA-N 2 1 384.305 3.773 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(-c3cccc(C[NH+]4CCCCC4)c3)cc2)CC1 ZINC001236559413 1041762182 /nfs/dbraw/zinc/76/21/82/1041762182.db2.gz JONRUGUKLXNSJV-UHFFFAOYSA-N 2 1 377.532 3.727 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1cnnn1Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236560032 1041763261 /nfs/dbraw/zinc/76/32/61/1041763261.db2.gz HPJDQGGLRWQNTN-YHBQERECSA-N 2 1 389.547 3.907 20 0 GHADMP COc1ccc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)n1 ZINC001236574919 1041766672 /nfs/dbraw/zinc/76/66/72/1041766672.db2.gz YAZGFZGCCQMVQG-KOMQPUFPSA-N 2 1 382.346 3.867 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C2CCC2)CC1 ZINC001236576198 1041766720 /nfs/dbraw/zinc/76/67/20/1041766720.db2.gz DOCITKCHIRFGNN-CTYIDZIISA-N 2 1 377.330 3.950 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3ccc(Br)cc3[nH]2)C2CCC2)CC1 ZINC001236576198 1041766724 /nfs/dbraw/zinc/76/67/24/1041766724.db2.gz DOCITKCHIRFGNN-CTYIDZIISA-N 2 1 377.330 3.950 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C2CCC2)CC1 ZINC001236576198 1041766727 /nfs/dbraw/zinc/76/67/27/1041766727.db2.gz DOCITKCHIRFGNN-CTYIDZIISA-N 2 1 377.330 3.950 20 0 GHADMP CN(c1ccc(CN2CCC([NH+]3CCC([NH3+])CC3)CC2)cc1)c1ccccc1F ZINC001236581832 1041767345 /nfs/dbraw/zinc/76/73/45/1041767345.db2.gz BGZPOCQGTVATNP-UHFFFAOYSA-N 2 1 396.554 3.981 20 0 GHADMP COc1ccc2[nH]c(C[N@@H+](Cc3ccc(F)cc3)[C@H]3CC[C@H]([NH3+])CC3)nc2c1 ZINC001236754675 1041873937 /nfs/dbraw/zinc/87/39/37/1041873937.db2.gz IOMFMQCURMHTTF-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@H]12 ZINC001236831449 1041921230 /nfs/dbraw/zinc/92/12/30/1041921230.db2.gz RHSWIBRTWCVIRQ-DUFXMDAXSA-N 2 1 379.220 3.517 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@H]12 ZINC001236831449 1041921233 /nfs/dbraw/zinc/92/12/33/1041921233.db2.gz RHSWIBRTWCVIRQ-DUFXMDAXSA-N 2 1 379.220 3.517 20 0 GHADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2cn3c4c2cccc4C[NH2+]CC3)c1 ZINC001236849162 1041927106 /nfs/dbraw/zinc/92/71/06/1041927106.db2.gz TYROWGLVACBQBW-JOCHJYFZSA-N 2 1 389.499 3.868 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3cccc(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236893959 1041943299 /nfs/dbraw/zinc/94/32/99/1041943299.db2.gz OXAPRWCMTURWCM-JOCHJYFZSA-N 2 1 393.575 3.902 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-n4cccn4)c(Br)c3)C2)CC1 ZINC001236913960 1041954974 /nfs/dbraw/zinc/95/49/74/1041954974.db2.gz GBPYUOZVHLGSDD-UHFFFAOYSA-N 2 1 389.341 3.553 20 0 GHADMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236959410 1041969923 /nfs/dbraw/zinc/96/99/23/1041969923.db2.gz CUAIDBUBZJXCRK-VQTJNVASSA-N 2 1 375.532 3.501 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236959410 1041969924 /nfs/dbraw/zinc/96/99/24/1041969924.db2.gz CUAIDBUBZJXCRK-VQTJNVASSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236959410 1041969929 /nfs/dbraw/zinc/96/99/29/1041969929.db2.gz CUAIDBUBZJXCRK-VQTJNVASSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236959410 1041969931 /nfs/dbraw/zinc/96/99/31/1041969931.db2.gz CUAIDBUBZJXCRK-VQTJNVASSA-N 2 1 375.532 3.501 20 0 GHADMP Brc1cccc2c(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)[nH]nc21 ZINC001236963250 1041971119 /nfs/dbraw/zinc/97/11/19/1041971119.db2.gz XPBZPOWFJLOXEV-UHFFFAOYSA-N 2 1 391.357 3.927 20 0 GHADMP C[N@H+](Cc1ccc(F)c(N2CCOCC2)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001236969688 1041972635 /nfs/dbraw/zinc/97/26/35/1041972635.db2.gz PBJFAJHCYVXHKW-UHFFFAOYSA-N 2 1 389.559 3.891 20 0 GHADMP C[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001236969688 1041972639 /nfs/dbraw/zinc/97/26/39/1041972639.db2.gz PBJFAJHCYVXHKW-UHFFFAOYSA-N 2 1 389.559 3.891 20 0 GHADMP COc1ccccc1C1CC[NH+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236973727 1041973463 /nfs/dbraw/zinc/97/34/63/1041973463.db2.gz NCSKSKHRGNIHKV-UHFFFAOYSA-N 2 1 397.538 3.966 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@H+](Cc3ccccc3)C3CCOCC3)ccc2F)CC1 ZINC001236975395 1041974259 /nfs/dbraw/zinc/97/42/59/1041974259.db2.gz ZAGVGSXQIOHUAN-UHFFFAOYSA-N 2 1 397.538 3.759 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@@H+](Cc3ccccc3)C3CCOCC3)ccc2F)CC1 ZINC001236975395 1041974261 /nfs/dbraw/zinc/97/42/61/1041974261.db2.gz ZAGVGSXQIOHUAN-UHFFFAOYSA-N 2 1 397.538 3.759 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2ccc(Cl)cc2)nc1 ZINC001237008666 1041988667 /nfs/dbraw/zinc/98/86/67/1041988667.db2.gz LTBCFGMAQZTJTF-FCHUYYIVSA-N 2 1 384.955 3.612 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(O)cc3ccccc31)C2 ZINC001237069911 1042020338 /nfs/dbraw/zinc/02/03/38/1042020338.db2.gz YMXYYVZZQFIXDO-URXFXBBRSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(O)cc3ccccc31)C2 ZINC001237069911 1042020342 /nfs/dbraw/zinc/02/03/42/1042020342.db2.gz YMXYYVZZQFIXDO-URXFXBBRSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(O)cc3ccccc31)C2 ZINC001237069911 1042020344 /nfs/dbraw/zinc/02/03/44/1042020344.db2.gz YMXYYVZZQFIXDO-URXFXBBRSA-N 2 1 380.532 3.726 20 0 GHADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001237188044 1042084711 /nfs/dbraw/zinc/08/47/11/1042084711.db2.gz MBDIEJZRAAAEGZ-DEOSSOPVSA-N 2 1 379.523 3.715 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@H]4Nc5ccc(Cl)cc5[C@H]4C3)c2)CC1 ZINC001237252016 1042108627 /nfs/dbraw/zinc/10/86/27/1042108627.db2.gz ZLCVOTWTANXLJS-FYYLOGMGSA-N 2 1 396.966 3.875 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(COC(=O)CC(C)C)cocc3-4)C[C@@H]2C1 ZINC001237288057 1042125957 /nfs/dbraw/zinc/12/59/57/1042125957.db2.gz MFUCDOSPULWBSV-KDURUIRLSA-N 2 1 384.520 3.857 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(COC(=O)CC(C)C)cocc3-4)C[C@@H]2C1 ZINC001237288057 1042125959 /nfs/dbraw/zinc/12/59/59/1042125959.db2.gz MFUCDOSPULWBSV-KDURUIRLSA-N 2 1 384.520 3.857 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(COC(=O)CC(C)C)cocc3-4)C[C@@H]2C1 ZINC001237288057 1042125964 /nfs/dbraw/zinc/12/59/64/1042125964.db2.gz MFUCDOSPULWBSV-KDURUIRLSA-N 2 1 384.520 3.857 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(COC(=O)CC(C)C)cocc3-4)C[C@@H]2C1 ZINC001237288057 1042125967 /nfs/dbraw/zinc/12/59/67/1042125967.db2.gz MFUCDOSPULWBSV-KDURUIRLSA-N 2 1 384.520 3.857 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1cc(I)ccc1Cl)CC2 ZINC001237358983 1042168200 /nfs/dbraw/zinc/16/82/00/1042168200.db2.gz LAGXIRPFMGJLLH-AWEZNQCLSA-N 2 1 390.696 3.648 20 0 GHADMP Brc1ccncc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001237383402 1042181187 /nfs/dbraw/zinc/18/11/87/1042181187.db2.gz WFUCQIHVXAQBBS-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2-c2ccccc2Cl)CCC12C[NH2+]C2 ZINC001237429763 1042204275 /nfs/dbraw/zinc/20/42/75/1042204275.db2.gz JKZKKTVXQCBYPX-HXUWFJFHSA-N 2 1 398.934 3.982 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(F)c(Oc3ccccc3)c2)CCC12C[NH2+]C2 ZINC001237428656 1042204326 /nfs/dbraw/zinc/20/43/26/1042204326.db2.gz BUOLJBYIPLNUCP-LJQANCHMSA-N 2 1 398.478 3.593 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001237479282 1042226136 /nfs/dbraw/zinc/22/61/36/1042226136.db2.gz APLRGSVPXKXXDO-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001237479282 1042226139 /nfs/dbraw/zinc/22/61/39/1042226139.db2.gz APLRGSVPXKXXDO-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001237479282 1042226143 /nfs/dbraw/zinc/22/61/43/1042226143.db2.gz APLRGSVPXKXXDO-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(OC)n1 ZINC001237565505 1042263926 /nfs/dbraw/zinc/26/39/26/1042263926.db2.gz QPOLKTBCSIIDCB-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc3nccc(C)c13)C2 ZINC001237624306 1042290712 /nfs/dbraw/zinc/29/07/12/1042290712.db2.gz FVEBCHREBUYZSJ-URXFXBBRSA-N 2 1 379.548 3.724 20 0 GHADMP CCCOc1cc(F)ccc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001237904218 1042417490 /nfs/dbraw/zinc/41/74/90/1042417490.db2.gz ITRMLDGDVXRPHW-CTNGQTDRSA-N 2 1 383.511 3.963 20 0 GHADMP CCCOc1cc(F)ccc1CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001237904218 1042417495 /nfs/dbraw/zinc/41/74/95/1042417495.db2.gz ITRMLDGDVXRPHW-CTNGQTDRSA-N 2 1 383.511 3.963 20 0 GHADMP CCCOc1cc(F)ccc1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001237904218 1042417499 /nfs/dbraw/zinc/41/74/99/1042417499.db2.gz ITRMLDGDVXRPHW-CTNGQTDRSA-N 2 1 383.511 3.963 20 0 GHADMP Cc1sccc1CN1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001237973262 1042441467 /nfs/dbraw/zinc/44/14/67/1042441467.db2.gz BMJRBTGHBCTEHC-KRWDZBQOSA-N 2 1 379.570 3.620 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238103117 1042492956 /nfs/dbraw/zinc/49/29/56/1042492956.db2.gz ADGAAEQNOVYRGX-QHCPKHFHSA-N 3 1 390.531 3.590 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3cncn31)CC2 ZINC001238103117 1042492958 /nfs/dbraw/zinc/49/29/58/1042492958.db2.gz ADGAAEQNOVYRGX-QHCPKHFHSA-N 2 1 390.531 3.590 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3cncn31)CC2 ZINC001238103117 1042492962 /nfs/dbraw/zinc/49/29/62/1042492962.db2.gz ADGAAEQNOVYRGX-QHCPKHFHSA-N 2 1 390.531 3.590 20 0 GHADMP COc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc(OC)c1OCc1ccccc1 ZINC001238109211 1042494593 /nfs/dbraw/zinc/49/45/93/1042494593.db2.gz CWEJXMGWZODQGN-UHFFFAOYSA-N 2 1 396.531 3.810 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ncc(C)cc4C)CC3)C2)cc1 ZINC001238428393 1042593026 /nfs/dbraw/zinc/59/30/26/1042593026.db2.gz IOQSNTKZRGYCSQ-UHFFFAOYSA-N 2 1 379.548 3.874 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238635325 1042665212 /nfs/dbraw/zinc/66/52/12/1042665212.db2.gz WEILSNKRGVMEGK-FCHUYYIVSA-N 2 1 384.955 3.612 20 0 GHADMP CCOC(=O)C1CCN(C2CC[NH+](Cc3cc(OCC)ccc3C)CC2)CC1 ZINC001238711325 1042696263 /nfs/dbraw/zinc/69/62/63/1042696263.db2.gz IKMFORYYQSXDBO-UHFFFAOYSA-N 2 1 388.552 3.633 20 0 GHADMP COc1cc(F)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1Cl ZINC001238787870 1042728710 /nfs/dbraw/zinc/72/87/10/1042728710.db2.gz IOXFMHDHKOHDMV-UHFFFAOYSA-N 2 1 384.923 3.812 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1O ZINC001462654139 1070445543 /nfs/dbraw/zinc/44/55/43/1070445543.db2.gz MWSIAIDEACNMIS-HKBOAZHASA-N 2 1 396.531 3.800 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001462655707 1070446877 /nfs/dbraw/zinc/44/68/77/1070446877.db2.gz SBNWSTSOXMJGEV-KSZLIROESA-N 2 1 383.536 3.815 20 0 GHADMP O=C(Nc1ccccc1C1=CCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC001240388395 1042924849 /nfs/dbraw/zinc/92/48/49/1042924849.db2.gz BURFTTVKHFGHIO-UHFFFAOYSA-N 2 1 390.531 3.849 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522525 1043448358 /nfs/dbraw/zinc/44/83/58/1043448358.db2.gz KXDZWUIMXQVJFX-MJGOQNOKSA-N 2 1 391.531 3.588 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(F)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256522525 1043448374 /nfs/dbraw/zinc/44/83/74/1043448374.db2.gz KXDZWUIMXQVJFX-MJGOQNOKSA-N 2 1 391.531 3.588 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525460 1043452895 /nfs/dbraw/zinc/45/28/95/1043452895.db2.gz ZVINCHNBCIZHQC-MMKMLUHNSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525460 1043452914 /nfs/dbraw/zinc/45/29/14/1043452914.db2.gz ZVINCHNBCIZHQC-MMKMLUHNSA-N 2 1 387.568 3.885 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC1COC1 ZINC001256525494 1043453159 /nfs/dbraw/zinc/45/31/59/1043453159.db2.gz CDMUHHQETNOTLY-GHTZIAJQSA-N 2 1 396.531 3.616 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OC1COC1 ZINC001256525494 1043453169 /nfs/dbraw/zinc/45/31/69/1043453169.db2.gz CDMUHHQETNOTLY-GHTZIAJQSA-N 2 1 396.531 3.616 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531439 1043463410 /nfs/dbraw/zinc/46/34/10/1043463410.db2.gz HURATLCSJKZPMJ-OYDLWJJNSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531439 1043463424 /nfs/dbraw/zinc/46/34/24/1043463424.db2.gz HURATLCSJKZPMJ-OYDLWJJNSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256534939 1043473458 /nfs/dbraw/zinc/47/34/58/1043473458.db2.gz VMHXBYAKHWXQLB-NRSPTQNISA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256534939 1043473478 /nfs/dbraw/zinc/47/34/78/1043473478.db2.gz VMHXBYAKHWXQLB-NRSPTQNISA-N 2 1 395.522 3.683 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256546029 1043502303 /nfs/dbraw/zinc/50/23/03/1043502303.db2.gz JLPQBQSHYHUQPY-IFMALSPDSA-N 2 1 395.595 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256546029 1043502313 /nfs/dbraw/zinc/50/23/13/1043502313.db2.gz JLPQBQSHYHUQPY-IFMALSPDSA-N 2 1 395.595 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256546029 1043502328 /nfs/dbraw/zinc/50/23/28/1043502328.db2.gz JLPQBQSHYHUQPY-IFMALSPDSA-N 2 1 395.595 3.592 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550877 1043514205 /nfs/dbraw/zinc/51/42/05/1043514205.db2.gz NXZKEVVKHGRVBP-JTHBVZDNSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550877 1043514211 /nfs/dbraw/zinc/51/42/11/1043514211.db2.gz NXZKEVVKHGRVBP-JTHBVZDNSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550877 1043514222 /nfs/dbraw/zinc/51/42/22/1043514222.db2.gz NXZKEVVKHGRVBP-JTHBVZDNSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256550877 1043514233 /nfs/dbraw/zinc/51/42/33/1043514233.db2.gz NXZKEVVKHGRVBP-JTHBVZDNSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552420 1043515479 /nfs/dbraw/zinc/51/54/79/1043515479.db2.gz CBSZKVOVAZGUCP-GMAHTHKFSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552420 1043515492 /nfs/dbraw/zinc/51/54/92/1043515492.db2.gz CBSZKVOVAZGUCP-GMAHTHKFSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552420 1043515506 /nfs/dbraw/zinc/51/55/06/1043515506.db2.gz CBSZKVOVAZGUCP-GMAHTHKFSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552420 1043515516 /nfs/dbraw/zinc/51/55/16/1043515516.db2.gz CBSZKVOVAZGUCP-GMAHTHKFSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552421 1043519036 /nfs/dbraw/zinc/51/90/36/1043519036.db2.gz CBSZKVOVAZGUCP-JTHBVZDNSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552421 1043519047 /nfs/dbraw/zinc/51/90/47/1043519047.db2.gz CBSZKVOVAZGUCP-JTHBVZDNSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552421 1043519054 /nfs/dbraw/zinc/51/90/54/1043519054.db2.gz CBSZKVOVAZGUCP-JTHBVZDNSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256552421 1043519059 /nfs/dbraw/zinc/51/90/59/1043519059.db2.gz CBSZKVOVAZGUCP-JTHBVZDNSA-N 2 1 378.564 3.955 20 0 GHADMP C[C@@H]1C[C@H](N2CCC([NH+](C)C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256556448 1043524856 /nfs/dbraw/zinc/52/48/56/1043524856.db2.gz ZFMPXLZQMZFBRP-HYBUGGRVSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1C[C@H](N2CCC([N@H+](C)C3CCOCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256556448 1043524864 /nfs/dbraw/zinc/52/48/64/1043524864.db2.gz ZFMPXLZQMZFBRP-HYBUGGRVSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1C[C@H](N2CCC([N@@H+](C)C3CCOCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256556448 1043524877 /nfs/dbraw/zinc/52/48/77/1043524877.db2.gz ZFMPXLZQMZFBRP-HYBUGGRVSA-N 2 1 385.596 3.615 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256557023 1043527253 /nfs/dbraw/zinc/52/72/53/1043527253.db2.gz KRRFVVPVOYADLV-SESVDKBCSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256557023 1043527260 /nfs/dbraw/zinc/52/72/60/1043527260.db2.gz KRRFVVPVOYADLV-SESVDKBCSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256557023 1043527263 /nfs/dbraw/zinc/52/72/63/1043527263.db2.gz KRRFVVPVOYADLV-SESVDKBCSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256557023 1043527270 /nfs/dbraw/zinc/52/72/70/1043527270.db2.gz KRRFVVPVOYADLV-SESVDKBCSA-N 2 1 381.520 3.596 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557639 1043530971 /nfs/dbraw/zinc/53/09/71/1043530971.db2.gz NXEDWOFDNRJGLA-REWPJTCUSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256557639 1043530981 /nfs/dbraw/zinc/53/09/81/1043530981.db2.gz NXEDWOFDNRJGLA-REWPJTCUSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559529 1043535598 /nfs/dbraw/zinc/53/55/98/1043535598.db2.gz LSFIVWQIQPXMEW-FYZZASKESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256559529 1043535612 /nfs/dbraw/zinc/53/56/12/1043535612.db2.gz LSFIVWQIQPXMEW-FYZZASKESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559529 1043535621 /nfs/dbraw/zinc/53/56/21/1043535621.db2.gz LSFIVWQIQPXMEW-FYZZASKESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559529 1043535628 /nfs/dbraw/zinc/53/56/28/1043535628.db2.gz LSFIVWQIQPXMEW-FYZZASKESA-N 2 1 385.552 3.591 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC1 ZINC001256565916 1043540085 /nfs/dbraw/zinc/54/00/85/1043540085.db2.gz HCNZCVPOOVHEFQ-UHFFFAOYSA-N 2 1 386.561 3.872 20 0 GHADMP c1ccc2c(c1)CC[N@H+](C1CCN(C3CC[NH+](Cc4ccncc4)CC3)CC1)C2 ZINC001256594575 1043560414 /nfs/dbraw/zinc/56/04/14/1043560414.db2.gz XLBCTLIPZYGTPK-UHFFFAOYSA-N 2 1 390.575 3.569 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001292012265 1043565702 /nfs/dbraw/zinc/56/57/02/1043565702.db2.gz XRABUDHXFKBXOI-LRSLUSHPSA-N 2 1 399.623 3.812 20 0 GHADMP CCOC[C@H]1COCCC12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256607155 1043572559 /nfs/dbraw/zinc/57/25/59/1043572559.db2.gz IVECOHJOOLHLPR-QFIPXVFZSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256609359 1043574242 /nfs/dbraw/zinc/57/42/42/1043574242.db2.gz NHACGLNPYCERRQ-RTWAWAEBSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256609359 1043574255 /nfs/dbraw/zinc/57/42/55/1043574255.db2.gz NHACGLNPYCERRQ-RTWAWAEBSA-N 2 1 399.579 3.840 20 0 GHADMP CC1(C)[N@H+](C2CCN(Cc3ccccc3)CC2)CC[C@]12c1ccccc1OC2=O ZINC001256613856 1043576865 /nfs/dbraw/zinc/57/68/65/1043576865.db2.gz XDMBRLJWBRGBAF-RUZDIDTESA-N 2 1 390.527 3.992 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256687574 1043623764 /nfs/dbraw/zinc/62/37/64/1043623764.db2.gz YXGBDQLKWCJABV-DOBXKQIDSA-N 3 1 389.559 3.541 20 0 GHADMP C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256857153 1043706327 /nfs/dbraw/zinc/70/63/27/1043706327.db2.gz PCPZTAKIDNTZJQ-QZTJIDSGSA-N 2 1 388.556 3.676 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861870 1043707709 /nfs/dbraw/zinc/70/77/09/1043707709.db2.gz XSUOHZHQWVEYQJ-UHFFFAOYSA-N 3 1 378.564 3.894 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H](c2ccccc2)C1 ZINC001256865315 1043710759 /nfs/dbraw/zinc/71/07/59/1043710759.db2.gz XNHLTZWTFXLVPP-UGKGYDQZSA-N 2 1 379.504 3.677 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256909137 1043734946 /nfs/dbraw/zinc/73/49/46/1043734946.db2.gz SBFDAZPPVGHNHY-GSTYJUAJSA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256909137 1043734958 /nfs/dbraw/zinc/73/49/58/1043734958.db2.gz SBFDAZPPVGHNHY-GSTYJUAJSA-N 2 1 391.600 3.876 20 0 GHADMP C[C@@H]1CNC(=O)C[N@H+]1C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256928501 1043755591 /nfs/dbraw/zinc/75/55/91/1043755591.db2.gz FIEKNTUASUTMAB-QUVATAORSA-N 2 1 391.559 3.820 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001257056918 1043824927 /nfs/dbraw/zinc/82/49/27/1043824927.db2.gz UTBBRTIMNXWNTI-ROUUACIJSA-N 2 1 376.566 3.768 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001257479884 1044011140 /nfs/dbraw/zinc/01/11/40/1044011140.db2.gz RSSFPOFSXAQZRC-SEIRJHJZSA-N 2 1 377.617 3.998 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001257479885 1044011685 /nfs/dbraw/zinc/01/16/85/1044011685.db2.gz RSSFPOFSXAQZRC-UGESXGAOSA-N 2 1 377.617 3.998 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001257479923 1044011741 /nfs/dbraw/zinc/01/17/41/1044011741.db2.gz SGDXIRKYGKJCBD-PMACEKPBSA-N 2 1 391.604 3.701 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+](C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001257850692 1044220608 /nfs/dbraw/zinc/22/06/08/1044220608.db2.gz DSRXOHYOIGFMRU-XEWABKELSA-N 2 1 377.573 3.581 20 0 GHADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257971990 1044292769 /nfs/dbraw/zinc/29/27/69/1044292769.db2.gz FKHHHOXBLBKITC-VQTJNVASSA-N 2 1 398.551 3.876 20 0 GHADMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)C1 ZINC001257988679 1044316481 /nfs/dbraw/zinc/31/64/81/1044316481.db2.gz MJGBGPJDIHEEDX-HBMCJLEFSA-N 2 1 387.568 3.539 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC1 ZINC001258014120 1044342186 /nfs/dbraw/zinc/34/21/86/1044342186.db2.gz CJQHCJKOFMJEQR-DEOSSOPVSA-N 2 1 381.564 3.507 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258065736 1044379159 /nfs/dbraw/zinc/37/91/59/1044379159.db2.gz OARLSVURTQPYDR-NPDDRXJXSA-N 2 1 377.617 3.854 20 0 GHADMP C[C@@H]1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001258131498 1044416204 /nfs/dbraw/zinc/41/62/04/1044416204.db2.gz LVZNLWFMIXVURZ-WIYYLYMNSA-N 2 1 387.568 3.681 20 0 GHADMP CCCN(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001258136049 1044420415 /nfs/dbraw/zinc/42/04/15/1044420415.db2.gz YUNBMRWHCHMTJE-UHFFFAOYSA-N 2 1 389.584 3.930 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141490 1044427698 /nfs/dbraw/zinc/42/76/98/1044427698.db2.gz AWURCRPEAURUGQ-IRLDBZIGSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141490 1044427704 /nfs/dbraw/zinc/42/77/04/1044427704.db2.gz AWURCRPEAURUGQ-IRLDBZIGSA-N 2 1 399.579 3.635 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001258149288 1044439425 /nfs/dbraw/zinc/43/94/25/1044439425.db2.gz HYPRODJVDQXKEP-ZEQRLZLVSA-N 2 1 392.543 3.582 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001258149288 1044439435 /nfs/dbraw/zinc/43/94/35/1044439435.db2.gz HYPRODJVDQXKEP-ZEQRLZLVSA-N 2 1 392.543 3.582 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258553472 1044632691 /nfs/dbraw/zinc/63/26/91/1044632691.db2.gz IRQXDWDYJMDAJI-QGZVFWFLSA-N 3 1 398.636 3.640 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588357 1044661685 /nfs/dbraw/zinc/66/16/85/1044661685.db2.gz NIEIUBPMPQZKIZ-VJBWXMMDSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588357 1044661689 /nfs/dbraw/zinc/66/16/89/1044661689.db2.gz NIEIUBPMPQZKIZ-VJBWXMMDSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588357 1044661692 /nfs/dbraw/zinc/66/16/92/1044661692.db2.gz NIEIUBPMPQZKIZ-VJBWXMMDSA-N 2 1 383.580 3.907 20 0 GHADMP COc1cc(C[C@H](C)[NH2+]C2CCN(c3[nH+]cccc3C)CC2)cc(OC)c1OC ZINC001258858354 1044797811 /nfs/dbraw/zinc/79/78/11/1044797811.db2.gz MPUWUFSWQIYAKM-KRWDZBQOSA-N 2 1 399.535 3.605 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC001294967574 1044855411 /nfs/dbraw/zinc/85/54/11/1044855411.db2.gz UGLQEJAQGRXQBC-DEXHYYOUSA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001294967574 1044855424 /nfs/dbraw/zinc/85/54/24/1044855424.db2.gz UGLQEJAQGRXQBC-DEXHYYOUSA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001294967574 1044855440 /nfs/dbraw/zinc/85/54/40/1044855440.db2.gz UGLQEJAQGRXQBC-DEXHYYOUSA-N 2 1 383.580 3.522 20 0 GHADMP CCN(CC)C(=O)c1nc2c(s1)CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001258910046 1044862682 /nfs/dbraw/zinc/86/26/82/1044862682.db2.gz MRKKWVBVALGFOP-KRWDZBQOSA-N 2 1 394.629 3.536 20 0 GHADMP CC(C)(C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC001295963681 1045202340 /nfs/dbraw/zinc/20/23/40/1045202340.db2.gz VLNKKRXXMPNNLB-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+](C)CC1(NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001297081213 1045444314 /nfs/dbraw/zinc/44/43/14/1045444314.db2.gz XLNDUXNQEBGBLY-JOCHJYFZSA-N 2 1 397.538 3.627 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261233159 1045932172 /nfs/dbraw/zinc/93/21/72/1045932172.db2.gz IJNIHCDBBJHUGS-HVXWDBPDSA-N 2 1 398.595 3.744 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]CC[C@@H](C)[NH2+]C)cc1Br ZINC001261370642 1045982769 /nfs/dbraw/zinc/98/27/69/1045982769.db2.gz PIZWCNCEFRFOLH-SNVBAGLBSA-N 2 1 394.151 3.698 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001301866175 1046734157 /nfs/dbraw/zinc/73/41/57/1046734157.db2.gz AFIWGCOUKCMDNH-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382799069 1047062682 /nfs/dbraw/zinc/06/26/82/1047062682.db2.gz ZSKGFEVPUQDAIK-KRWDZBQOSA-N 2 1 388.353 3.985 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382799069 1047062694 /nfs/dbraw/zinc/06/26/94/1047062694.db2.gz ZSKGFEVPUQDAIK-KRWDZBQOSA-N 2 1 388.353 3.985 20 0 GHADMP C[NH+](Cc1ccc(Br)cc1N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382799069 1047062709 /nfs/dbraw/zinc/06/27/09/1047062709.db2.gz ZSKGFEVPUQDAIK-KRWDZBQOSA-N 2 1 388.353 3.985 20 0 GHADMP C[NH+](Cc1ccc(Br)cc1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382799069 1047062721 /nfs/dbraw/zinc/06/27/21/1047062721.db2.gz ZSKGFEVPUQDAIK-KRWDZBQOSA-N 2 1 388.353 3.985 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000390775293 1047512661 /nfs/dbraw/zinc/51/26/61/1047512661.db2.gz OBVRKWXJZCKVKJ-KSEOMHKRSA-N 2 1 399.579 3.886 20 0 GHADMP O=c1cccc(C[N@@H+]2CCCC3(CCN(Cc4cnc(Cl)s4)CC3)C2)[nH]1 ZINC001279278219 1047754717 /nfs/dbraw/zinc/75/47/17/1047754717.db2.gz UUTFOWNHTDYVES-UHFFFAOYSA-N 2 1 392.956 3.775 20 0 GHADMP O=c1cccc(C[N@H+]2CCCC3(CC[NH+](Cc4cnc(Cl)s4)CC3)C2)[nH]1 ZINC001279278219 1047754723 /nfs/dbraw/zinc/75/47/23/1047754723.db2.gz UUTFOWNHTDYVES-UHFFFAOYSA-N 2 1 392.956 3.775 20 0 GHADMP O=c1cccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cnc(Cl)s4)CC3)C2)[nH]1 ZINC001279278219 1047754728 /nfs/dbraw/zinc/75/47/28/1047754728.db2.gz UUTFOWNHTDYVES-UHFFFAOYSA-N 2 1 392.956 3.775 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc(Cl)s4)C[C@H]3CC2)n(C)n1 ZINC001279334669 1047772499 /nfs/dbraw/zinc/77/24/99/1047772499.db2.gz GFPWDRHIYPLYDH-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)n(C)n1 ZINC001279334669 1047772507 /nfs/dbraw/zinc/77/25/07/1047772507.db2.gz GFPWDRHIYPLYDH-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)n(C)n1 ZINC001279334669 1047772511 /nfs/dbraw/zinc/77/25/11/1047772511.db2.gz GFPWDRHIYPLYDH-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP FC(F)(F)CCC[N@H+]1CC[C@H]2C[NH+](Cc3ncc(Cl)cn3)C[C@H]2CC1 ZINC001279364811 1047781712 /nfs/dbraw/zinc/78/17/12/1047781712.db2.gz UKAURGLWDIARMC-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](Cc3ncc(Cl)cn3)C[C@H]2CC1 ZINC001279364811 1047781718 /nfs/dbraw/zinc/78/17/18/1047781718.db2.gz UKAURGLWDIARMC-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ncc(Cl)cn3)C[C@H]2CC1 ZINC001279364811 1047781723 /nfs/dbraw/zinc/78/17/23/1047781723.db2.gz UKAURGLWDIARMC-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](Cc3ncc(Cl)cn3)C[C@H]2CC1 ZINC001279364811 1047781728 /nfs/dbraw/zinc/78/17/28/1047781728.db2.gz UKAURGLWDIARMC-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4sccc4Cl)C[C@H]3CC2)[nH]1 ZINC001279373230 1047785183 /nfs/dbraw/zinc/78/51/83/1047785183.db2.gz XKOLJITYMOEVET-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4sccc4Cl)C[C@H]3CC2)[nH]1 ZINC001279373230 1047785189 /nfs/dbraw/zinc/78/51/89/1047785189.db2.gz XKOLJITYMOEVET-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4sccc4Cl)C[C@H]3CC2)[nH]1 ZINC001279373230 1047785194 /nfs/dbraw/zinc/78/51/94/1047785194.db2.gz XKOLJITYMOEVET-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP CC1(C)OC[C@H](C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)O1 ZINC001279469631 1047817634 /nfs/dbraw/zinc/81/76/34/1047817634.db2.gz NRGQCVXKWZPRKP-INIZCTEOSA-N 2 1 378.479 3.658 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579445 1047849127 /nfs/dbraw/zinc/84/91/27/1047849127.db2.gz LUBRORKZHVHJFP-DYQZNNLLSA-N 2 1 375.988 3.649 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579445 1047849140 /nfs/dbraw/zinc/84/91/40/1047849140.db2.gz LUBRORKZHVHJFP-DYQZNNLLSA-N 2 1 375.988 3.649 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579445 1047849161 /nfs/dbraw/zinc/84/91/61/1047849161.db2.gz LUBRORKZHVHJFP-DYQZNNLLSA-N 2 1 375.988 3.649 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579445 1047849178 /nfs/dbraw/zinc/84/91/78/1047849178.db2.gz LUBRORKZHVHJFP-DYQZNNLLSA-N 2 1 375.988 3.649 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579445 1047849198 /nfs/dbraw/zinc/84/91/98/1047849198.db2.gz LUBRORKZHVHJFP-DYQZNNLLSA-N 2 1 375.988 3.649 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](CCc3cccc(Cl)c3)CC2)C1 ZINC001279610960 1047868660 /nfs/dbraw/zinc/86/86/60/1047868660.db2.gz PNDANTXFAXGIAE-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](CCc3cccc(Cl)c3)CC2)C1 ZINC001279610960 1047868677 /nfs/dbraw/zinc/86/86/77/1047868677.db2.gz PNDANTXFAXGIAE-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP Cc1cc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc(C)c1Br ZINC001279615585 1047872269 /nfs/dbraw/zinc/87/22/69/1047872269.db2.gz UQDWXHBPFOXOHH-UHFFFAOYSA-N 2 1 394.401 3.525 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109411 1047907411 /nfs/dbraw/zinc/90/74/11/1047907411.db2.gz VGUYUKDRIAVYCR-WSWWRLHASA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305109411 1047907419 /nfs/dbraw/zinc/90/74/19/1047907419.db2.gz VGUYUKDRIAVYCR-WSWWRLHASA-N 2 1 394.563 3.814 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(O)c1F)CC2 ZINC001279688619 1047916070 /nfs/dbraw/zinc/91/60/70/1047916070.db2.gz LVPMNQYAANVKKR-UHFFFAOYSA-N 2 1 375.513 3.784 20 0 GHADMP COc1cccc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c1Cl ZINC001279694605 1047919659 /nfs/dbraw/zinc/91/96/59/1047919659.db2.gz ANZPDWWGMZAQDF-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)C1 ZINC001279736438 1047938601 /nfs/dbraw/zinc/93/86/01/1047938601.db2.gz NEZRQJWZWMEWMS-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3nc4cc(Br)ccc4[nH]3)CC2)C1 ZINC001279736438 1047938605 /nfs/dbraw/zinc/93/86/05/1047938605.db2.gz NEZRQJWZWMEWMS-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)cc(C)c3Cl)(C1)CCC2 ZINC001280222703 1048132289 /nfs/dbraw/zinc/13/22/89/1048132289.db2.gz BNYROKXRUBSSML-UXHICEINSA-N 2 1 384.923 3.933 20 0 GHADMP C[C@@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001307508314 1049350744 /nfs/dbraw/zinc/35/07/44/1049350744.db2.gz SSZXKASWPVWSKI-IRLDBZIGSA-N 2 1 385.596 3.773 20 0 GHADMP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC(C)(C)C1 ZINC001307606778 1049445670 /nfs/dbraw/zinc/44/56/70/1049445670.db2.gz QDPOSFJXGBQIMS-PXNSSMCTSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC(C)(C)C1 ZINC001307606778 1049445676 /nfs/dbraw/zinc/44/56/76/1049445676.db2.gz QDPOSFJXGBQIMS-PXNSSMCTSA-N 2 1 391.987 3.961 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC001289678450 1049586501 /nfs/dbraw/zinc/58/65/01/1049586501.db2.gz BKEKBBIVSWIQOH-FGZHOGPDSA-N 2 1 385.596 3.629 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001289678450 1049586511 /nfs/dbraw/zinc/58/65/11/1049586511.db2.gz BKEKBBIVSWIQOH-FGZHOGPDSA-N 2 1 385.596 3.629 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001289678450 1049586521 /nfs/dbraw/zinc/58/65/21/1049586521.db2.gz BKEKBBIVSWIQOH-FGZHOGPDSA-N 2 1 385.596 3.629 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCCC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001307886951 1049667276 /nfs/dbraw/zinc/66/72/76/1049667276.db2.gz ZGHMLIHPTZKVSD-KDURUIRLSA-N 2 1 390.568 3.850 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCCC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001307886951 1049667279 /nfs/dbraw/zinc/66/72/79/1049667279.db2.gz ZGHMLIHPTZKVSD-KDURUIRLSA-N 2 1 390.568 3.850 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCCC(=O)OC(C)(C)C)cc2)C[C@H](C)O1 ZINC001307886951 1049667283 /nfs/dbraw/zinc/66/72/83/1049667283.db2.gz ZGHMLIHPTZKVSD-KDURUIRLSA-N 2 1 390.568 3.850 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCC(CC)(CC)C3)cc2)CC1 ZINC001307927643 1049701199 /nfs/dbraw/zinc/70/11/99/1049701199.db2.gz DZYOEKVKOMTZPO-UHFFFAOYSA-N 2 1 386.584 3.669 20 0 GHADMP CC[N@H+](CC(=O)NCCc1c(C)cc(C)cc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC001307975338 1049734704 /nfs/dbraw/zinc/73/47/04/1049734704.db2.gz INGONVKBKMLVLF-UHFFFAOYSA-N 2 1 395.591 3.854 20 0 GHADMP CC[N@@H+](CC(=O)NCCc1c(C)cc(C)cc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC001307975338 1049734711 /nfs/dbraw/zinc/73/47/11/1049734711.db2.gz INGONVKBKMLVLF-UHFFFAOYSA-N 2 1 395.591 3.854 20 0 GHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001308001285 1049749469 /nfs/dbraw/zinc/74/94/69/1049749469.db2.gz AACYGIQDGQBSMG-PMACEKPBSA-N 2 1 394.987 3.975 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC001308003935 1049752474 /nfs/dbraw/zinc/75/24/74/1049752474.db2.gz YZHNCTLKXLWUID-QHCPKHFHSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308039095 1049790078 /nfs/dbraw/zinc/79/00/78/1049790078.db2.gz CVAYOBCPBLTDTQ-MOPGFXCFSA-N 2 1 388.556 3.629 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001308056451 1049804096 /nfs/dbraw/zinc/80/40/96/1049804096.db2.gz MVWBJXOENSQLJX-HSZRJFAPSA-N 2 1 385.596 3.618 20 0 GHADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N3c4ccccc4CC[C@H]3C)CC2)[nH+]c1C ZINC001308082994 1049827950 /nfs/dbraw/zinc/82/79/50/1049827950.db2.gz OSODAHMMUAXNPF-QAPCUYQASA-N 2 1 380.536 3.962 20 0 GHADMP CCOc1cccc(F)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001308197056 1049908952 /nfs/dbraw/zinc/90/89/52/1049908952.db2.gz LMMAZHCUPGBJIJ-QFIPXVFZSA-N 2 1 385.527 3.693 20 0 GHADMP CN(c1ccccc1CNC[C@@H](C1CCCCC1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC001308204016 1049911980 /nfs/dbraw/zinc/91/19/80/1049911980.db2.gz WUGCBUXOQXERKM-DEOSSOPVSA-N 2 1 386.628 3.817 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001308343103 1049953501 /nfs/dbraw/zinc/95/35/01/1049953501.db2.gz LQTVYRGXDZKDCI-KSEOMHKRSA-N 2 1 384.520 3.695 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001308343103 1049953507 /nfs/dbraw/zinc/95/35/07/1049953507.db2.gz LQTVYRGXDZKDCI-KSEOMHKRSA-N 2 1 384.520 3.695 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC001290995381 1049967209 /nfs/dbraw/zinc/96/72/09/1049967209.db2.gz YHIKILUSBXXTMI-QNWVGRARSA-N 2 1 385.596 3.834 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001308565846 1050012087 /nfs/dbraw/zinc/01/20/87/1050012087.db2.gz UHCXPKWBBAGUMF-ZCYQVOJMSA-N 2 1 399.623 3.579 20 0 GHADMP Cc1ccc(-n2c(Cl)c(C[NH2+]CCCC[N@@H+](C)C3CC3)nc2N(C)C)cc1 ZINC001308804191 1050101295 /nfs/dbraw/zinc/10/12/95/1050101295.db2.gz IOJLMQDXKOFMFQ-UHFFFAOYSA-N 2 1 389.975 3.864 20 0 GHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001308860987 1050128036 /nfs/dbraw/zinc/12/80/36/1050128036.db2.gz TVRDEYONIXSHCI-OXJNMPFZSA-N 2 1 392.465 3.993 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC(C)(C)c2ccc(Br)cc2)CCO1 ZINC001308881173 1050137379 /nfs/dbraw/zinc/13/73/79/1050137379.db2.gz QRSYDDRZGVDFBF-SFHVURJKSA-N 2 1 383.374 3.769 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001327965468 1050339060 /nfs/dbraw/zinc/33/90/60/1050339060.db2.gz MKPKESIBLQQWGZ-NOTZXAQLSA-N 2 1 383.580 3.809 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001329710690 1050891058 /nfs/dbraw/zinc/89/10/58/1050891058.db2.gz NXRSLILEIRWWCE-RDPSFJRHSA-N 2 1 379.548 3.984 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001329710690 1050891072 /nfs/dbraw/zinc/89/10/72/1050891072.db2.gz NXRSLILEIRWWCE-RDPSFJRHSA-N 2 1 379.548 3.984 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001330236709 1050983146 /nfs/dbraw/zinc/98/31/46/1050983146.db2.gz MOZUZKMQOKAOGP-PXNSSMCTSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC001333679893 1051806804 /nfs/dbraw/zinc/80/68/04/1051806804.db2.gz NKILKTOYIVBCCK-VNHKHXMHSA-N 2 1 383.580 3.973 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC001333679893 1051806812 /nfs/dbraw/zinc/80/68/12/1051806812.db2.gz NKILKTOYIVBCCK-VNHKHXMHSA-N 2 1 383.580 3.973 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC001333679893 1051806820 /nfs/dbraw/zinc/80/68/20/1051806820.db2.gz NKILKTOYIVBCCK-VNHKHXMHSA-N 2 1 383.580 3.973 20 0 GHADMP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311404983 1052111242 /nfs/dbraw/zinc/11/12/42/1052111242.db2.gz GXJPHYOVKSKHHV-SJBKTWHCSA-N 2 1 386.584 3.728 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001311568959 1052252574 /nfs/dbraw/zinc/25/25/74/1052252574.db2.gz IEAXGPNVRJWOPF-YADHBBJMSA-N 2 1 388.600 3.806 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC001311688353 1052331275 /nfs/dbraw/zinc/33/12/75/1052331275.db2.gz KBSPSRVDNBSNBG-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001311765599 1052382687 /nfs/dbraw/zinc/38/26/87/1052382687.db2.gz NHKRFMXXFQEBTL-HSZRJFAPSA-N 2 1 398.595 3.879 20 0 GHADMP C[C@@H](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001311955689 1052499337 /nfs/dbraw/zinc/49/93/37/1052499337.db2.gz YISNHYYTPPGLCF-ICSRJNTNSA-N 2 1 376.589 3.563 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC001312709529 1052844520 /nfs/dbraw/zinc/84/45/20/1052844520.db2.gz ILGZNOUFYWKWLC-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP CCCCC[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC001312709529 1052844523 /nfs/dbraw/zinc/84/45/23/1052844523.db2.gz ILGZNOUFYWKWLC-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP CCCCC[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC001312709529 1052844526 /nfs/dbraw/zinc/84/45/26/1052844526.db2.gz ILGZNOUFYWKWLC-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC001312818728 1052881390 /nfs/dbraw/zinc/88/13/90/1052881390.db2.gz ODJDSOMIXJKPDO-IRLDBZIGSA-N 2 1 388.600 3.519 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001312837195 1052888723 /nfs/dbraw/zinc/88/87/23/1052888723.db2.gz DUEHDPNDNMGYLP-OAQYLSRUSA-N 2 1 398.595 3.515 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001312998103 1052929844 /nfs/dbraw/zinc/92/98/44/1052929844.db2.gz GEXXIWJHHJWHMU-BHDDXSALSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001312998103 1052929846 /nfs/dbraw/zinc/92/98/46/1052929846.db2.gz GEXXIWJHHJWHMU-BHDDXSALSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001312998103 1052929848 /nfs/dbraw/zinc/92/98/48/1052929848.db2.gz GEXXIWJHHJWHMU-BHDDXSALSA-N 2 1 398.595 3.555 20 0 GHADMP CCC(CC)(CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC001318662204 1054783364 /nfs/dbraw/zinc/78/33/64/1054783364.db2.gz RSXWRZBBCKEIAY-FPOVZHCZSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001319959014 1055563712 /nfs/dbraw/zinc/56/37/12/1055563712.db2.gz BNXHFXFPPCKOBR-YPIGPJMWSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001320309147 1055748289 /nfs/dbraw/zinc/74/82/89/1055748289.db2.gz SIYMXPFIMGRIMQ-FXAWDEMLSA-N 2 1 376.504 3.768 20 0 GHADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001320800289 1055967297 /nfs/dbraw/zinc/96/72/97/1055967297.db2.gz LYCGNDHYTPPPPA-WIYYLYMNSA-N 2 1 389.503 3.565 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001323066601 1056917075 /nfs/dbraw/zinc/91/70/75/1056917075.db2.gz ORSIMZQAOZMAHB-PKTZIBPZSA-N 2 1 383.580 3.826 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC001323976528 1057048073 /nfs/dbraw/zinc/04/80/73/1057048073.db2.gz HWYVZGVBNGWTTK-CABCVRRESA-N 2 1 387.446 3.624 20 0 GHADMP COC(=O)/C=C/c1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000848890995 1057400305 /nfs/dbraw/zinc/40/03/05/1057400305.db2.gz MTKMCYDJLAVTFD-ZHACJKMWSA-N 2 1 397.519 3.856 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000848893101 1057402321 /nfs/dbraw/zinc/40/23/21/1057402321.db2.gz PKDGNJGJFXQEJQ-YUIUBULTSA-N 2 1 382.504 3.988 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000848893101 1057402328 /nfs/dbraw/zinc/40/23/28/1057402328.db2.gz PKDGNJGJFXQEJQ-YUIUBULTSA-N 2 1 382.504 3.988 20 0 GHADMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000849056390 1057568227 /nfs/dbraw/zinc/56/82/27/1057568227.db2.gz NCFJYEFIJMPOTM-UKRRQHHQSA-N 2 1 387.355 3.525 20 0 GHADMP C[S@](=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001327211098 1057622291 /nfs/dbraw/zinc/62/22/91/1057622291.db2.gz VHZAUXYBVAMZSD-IDISGSTGSA-N 2 1 382.573 3.816 20 0 GHADMP Cc1cccc(-c2nn(C[N@@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c(=S)n2C)c1 ZINC001337805472 1058272160 /nfs/dbraw/zinc/27/21/60/1058272160.db2.gz LFEHHNJSLUCQKT-FHWLQOOXSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1cccc(-c2nn(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c(=S)n2C)c1 ZINC001337805472 1058272176 /nfs/dbraw/zinc/27/21/76/1058272176.db2.gz LFEHHNJSLUCQKT-FHWLQOOXSA-N 2 1 385.581 3.546 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001442668317 1058991982 /nfs/dbraw/zinc/99/19/82/1058991982.db2.gz URLMARPQAWAYEB-OAQYLSRUSA-N 2 1 391.987 3.885 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001442668317 1058991985 /nfs/dbraw/zinc/99/19/85/1058991985.db2.gz URLMARPQAWAYEB-OAQYLSRUSA-N 2 1 391.987 3.885 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)oc1C ZINC001442918153 1059027803 /nfs/dbraw/zinc/02/78/03/1059027803.db2.gz GYYKHGVKKKIDLG-HXUWFJFHSA-N 2 1 383.536 3.743 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001444127927 1059268810 /nfs/dbraw/zinc/26/88/10/1059268810.db2.gz FFERUZSZIQNIMO-BHIYHBOVSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001445084673 1059457764 /nfs/dbraw/zinc/45/77/64/1059457764.db2.gz JHVOLPNESMEBMF-IIBYNOLFSA-N 2 1 385.939 3.506 20 0 GHADMP C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001445084673 1059457772 /nfs/dbraw/zinc/45/77/72/1059457772.db2.gz JHVOLPNESMEBMF-IIBYNOLFSA-N 2 1 385.939 3.506 20 0 GHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3N3CC[NH+](C)CC3)CC2)C1 ZINC001340530658 1059965851 /nfs/dbraw/zinc/96/58/51/1059965851.db2.gz YZQMERDCGJYPTN-NZQKXSOJSA-N 3 1 384.612 3.571 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001454014992 1061574796 /nfs/dbraw/zinc/57/47/96/1061574796.db2.gz VWLKQFQWXBEMMV-PWRODBHTSA-N 2 1 397.588 3.564 20 0 GHADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001454014992 1061574817 /nfs/dbraw/zinc/57/48/17/1061574817.db2.gz VWLKQFQWXBEMMV-PWRODBHTSA-N 2 1 397.588 3.564 20 0 GHADMP CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC001454014992 1061574841 /nfs/dbraw/zinc/57/48/41/1061574841.db2.gz VWLKQFQWXBEMMV-PWRODBHTSA-N 2 1 397.588 3.564 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001437721027 1063922122 /nfs/dbraw/zinc/92/21/22/1063922122.db2.gz AXVJUPFWHFCASK-OFNKIYASSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001437721027 1063922123 /nfs/dbraw/zinc/92/21/23/1063922123.db2.gz AXVJUPFWHFCASK-OFNKIYASSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001437721027 1063922126 /nfs/dbraw/zinc/92/21/26/1063922126.db2.gz AXVJUPFWHFCASK-OFNKIYASSA-N 2 1 389.559 3.568 20 0 GHADMP C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC001459424592 1064096143 /nfs/dbraw/zinc/09/61/43/1064096143.db2.gz RNJCPQZGMSEGGJ-QTEQDKRBSA-N 2 1 379.548 3.501 20 0 GHADMP C[C@H](C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459424592 1064096153 /nfs/dbraw/zinc/09/61/53/1064096153.db2.gz RNJCPQZGMSEGGJ-QTEQDKRBSA-N 2 1 379.548 3.501 20 0 GHADMP C[C@H](C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459424592 1064096161 /nfs/dbraw/zinc/09/61/61/1064096161.db2.gz RNJCPQZGMSEGGJ-QTEQDKRBSA-N 2 1 379.548 3.501 20 0 GHADMP CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001459516975 1064118096 /nfs/dbraw/zinc/11/80/96/1064118096.db2.gz LWFXYTWOWJXGRT-XMMPIXPASA-N 2 1 379.548 3.922 20 0 GHADMP CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001459516975 1064118103 /nfs/dbraw/zinc/11/81/03/1064118103.db2.gz LWFXYTWOWJXGRT-XMMPIXPASA-N 2 1 379.548 3.922 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC001459789389 1064218188 /nfs/dbraw/zinc/21/81/88/1064218188.db2.gz ZTZJZHMCDAAMSZ-ADLFWFRXSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001459789389 1064218194 /nfs/dbraw/zinc/21/81/94/1064218194.db2.gz ZTZJZHMCDAAMSZ-ADLFWFRXSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001459789389 1064218199 /nfs/dbraw/zinc/21/81/99/1064218199.db2.gz ZTZJZHMCDAAMSZ-ADLFWFRXSA-N 2 1 399.362 3.682 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001459953449 1064299975 /nfs/dbraw/zinc/29/99/75/1064299975.db2.gz QFWPSHUTAIUVDH-JMJGKCIBSA-N 2 1 383.580 3.620 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001459953448 1064300772 /nfs/dbraw/zinc/30/07/72/1064300772.db2.gz QFWPSHUTAIUVDH-FCJDFRRUSA-N 2 1 383.580 3.620 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)CC[NH+]1CC[C@H](F)C1)C1CCCCC1 ZINC001464398954 1064988611 /nfs/dbraw/zinc/98/86/11/1064988611.db2.gz CJZBRHLYTIRRBR-FQEVSTJZSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)CC[N@@H+]1CC[C@H](F)C1)C1CCCCC1 ZINC001464398954 1064988612 /nfs/dbraw/zinc/98/86/12/1064988612.db2.gz CJZBRHLYTIRRBR-FQEVSTJZSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)CC[N@H+]1CC[C@H](F)C1)C1CCCCC1 ZINC001464398954 1064988618 /nfs/dbraw/zinc/98/86/18/1064988618.db2.gz CJZBRHLYTIRRBR-FQEVSTJZSA-N 2 1 375.532 3.501 20 0 GHADMP Cc1ccc2c(ccc(C)c2C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC001465014280 1065327447 /nfs/dbraw/zinc/32/74/47/1065327447.db2.gz BLOADUGTQFZWKI-OAQYLSRUSA-N 2 1 379.548 3.697 20 0 GHADMP Cc1ccc2c(ccc(C)c2C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC001465014280 1065327456 /nfs/dbraw/zinc/32/74/56/1065327456.db2.gz BLOADUGTQFZWKI-OAQYLSRUSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H](C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001465801621 1065867209 /nfs/dbraw/zinc/86/72/09/1065867209.db2.gz AWTQQIFKHRKQMA-LEWJYISDSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[NH+]1CCc2ccccc2C1 ZINC001465801621 1065867221 /nfs/dbraw/zinc/86/72/21/1065867221.db2.gz AWTQQIFKHRKQMA-LEWJYISDSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+]1CCc2ccccc2C1 ZINC001465801621 1065867232 /nfs/dbraw/zinc/86/72/32/1065867232.db2.gz AWTQQIFKHRKQMA-LEWJYISDSA-N 2 1 397.607 3.936 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC001466949295 1066407938 /nfs/dbraw/zinc/40/79/38/1066407938.db2.gz KSWGAOPWTMAZIW-OAHLLOKOSA-N 2 1 382.346 3.570 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC001466949295 1066407941 /nfs/dbraw/zinc/40/79/41/1066407941.db2.gz KSWGAOPWTMAZIW-OAHLLOKOSA-N 2 1 382.346 3.570 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001477577141 1078473772 /nfs/dbraw/zinc/47/37/72/1078473772.db2.gz XWFALCFKYKVTHV-WCIQWLHISA-N 2 1 388.600 3.781 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001357403479 1067084542 /nfs/dbraw/zinc/08/45/42/1067084542.db2.gz DIQLOYQMKKAXPE-LPHOPBHVSA-N 2 1 383.561 3.519 20 0 GHADMP CC[N@@H+](CCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001467688232 1067421153 /nfs/dbraw/zinc/42/11/53/1067421153.db2.gz VHQAOLMIIQWGJS-BGYRXZFFSA-N 2 1 380.621 3.698 20 0 GHADMP CC[NH+](CCCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001467688232 1067421162 /nfs/dbraw/zinc/42/11/62/1067421162.db2.gz VHQAOLMIIQWGJS-BGYRXZFFSA-N 2 1 380.621 3.698 20 0 GHADMP CC[NH+](CCCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001467688232 1067421165 /nfs/dbraw/zinc/42/11/65/1067421165.db2.gz VHQAOLMIIQWGJS-BGYRXZFFSA-N 2 1 380.621 3.698 20 0 GHADMP CC[N@@H+](CCCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001467688233 1067421323 /nfs/dbraw/zinc/42/13/23/1067421323.db2.gz VHQAOLMIIQWGJS-PMACEKPBSA-N 2 1 380.621 3.698 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001467741062 1067446185 /nfs/dbraw/zinc/44/61/85/1067446185.db2.gz XRFISQBGWQRVRC-HXUWFJFHSA-N 2 1 378.605 3.691 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC001358319800 1067479766 /nfs/dbraw/zinc/47/97/66/1067479766.db2.gz VLHGIVKCGNZSJR-UHFFFAOYSA-N 2 1 386.499 3.604 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001468204744 1067630515 /nfs/dbraw/zinc/63/05/15/1067630515.db2.gz KMWIEDUJIZXMSV-HBMCJLEFSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001468204744 1067630519 /nfs/dbraw/zinc/63/05/19/1067630519.db2.gz KMWIEDUJIZXMSV-HBMCJLEFSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001468204744 1067630522 /nfs/dbraw/zinc/63/05/22/1067630522.db2.gz KMWIEDUJIZXMSV-HBMCJLEFSA-N 2 1 392.632 3.650 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CC1)CC1CC1 ZINC001468238015 1067644252 /nfs/dbraw/zinc/64/42/52/1067644252.db2.gz HQSFEHJYPHKMHL-VQTJNVASSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1)CC1CC1 ZINC001468238015 1067644267 /nfs/dbraw/zinc/64/42/67/1067644267.db2.gz HQSFEHJYPHKMHL-VQTJNVASSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1)CC1CC1 ZINC001468238015 1067644285 /nfs/dbraw/zinc/64/42/85/1067644285.db2.gz HQSFEHJYPHKMHL-VQTJNVASSA-N 2 1 392.632 3.650 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC1)CC1CC1 ZINC001468238013 1067644804 /nfs/dbraw/zinc/64/48/04/1067644804.db2.gz HQSFEHJYPHKMHL-PMACEKPBSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1)CC1CC1 ZINC001468238013 1067644813 /nfs/dbraw/zinc/64/48/13/1067644813.db2.gz HQSFEHJYPHKMHL-PMACEKPBSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1)CC1CC1 ZINC001468238013 1067644818 /nfs/dbraw/zinc/64/48/18/1067644818.db2.gz HQSFEHJYPHKMHL-PMACEKPBSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@H](NC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000849104049 1067729502 /nfs/dbraw/zinc/72/95/02/1067729502.db2.gz JYYDXANGLJIETD-KBPBESRZSA-N 2 1 387.355 3.669 20 0 GHADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001469564909 1068228227 /nfs/dbraw/zinc/22/82/27/1068228227.db2.gz MNGLHKROVFOTMD-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001470013098 1068522396 /nfs/dbraw/zinc/52/23/96/1068522396.db2.gz SDMGOVGOKLCWOL-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001460304015 1068916122 /nfs/dbraw/zinc/91/61/22/1068916122.db2.gz ICTUQUWRBQCNNY-UHFFFAOYSA-N 2 1 397.519 3.628 20 0 GHADMP COCC[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)CC1CC[NH+](C)CC1 ZINC001460608125 1069026138 /nfs/dbraw/zinc/02/61/38/1069026138.db2.gz NNPASGKFVUYBQM-UHFFFAOYSA-N 2 1 395.547 3.582 20 0 GHADMP COCC[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)CC1CC[NH+](C)CC1 ZINC001460608125 1069026152 /nfs/dbraw/zinc/02/61/52/1069026152.db2.gz NNPASGKFVUYBQM-UHFFFAOYSA-N 2 1 395.547 3.582 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001460669549 1069072895 /nfs/dbraw/zinc/07/28/95/1069072895.db2.gz BJHOVEDLNSSUHH-FQEVSTJZSA-N 2 1 395.950 3.884 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)[nH+]c1 ZINC001478480847 1078885195 /nfs/dbraw/zinc/88/51/95/1078885195.db2.gz GUQZUJFHXYNWAZ-FQEVSTJZSA-N 2 1 387.572 3.536 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)[nH+]c1 ZINC001478480847 1078885201 /nfs/dbraw/zinc/88/52/01/1078885201.db2.gz GUQZUJFHXYNWAZ-FQEVSTJZSA-N 2 1 387.572 3.536 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001470830748 1072760742 /nfs/dbraw/zinc/76/07/42/1072760742.db2.gz JFQBJRIOYYMVSZ-XZOQPEGZSA-N 2 1 377.532 3.523 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001470830748 1072760758 /nfs/dbraw/zinc/76/07/58/1072760758.db2.gz JFQBJRIOYYMVSZ-XZOQPEGZSA-N 2 1 377.532 3.523 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001471063079 1072910070 /nfs/dbraw/zinc/91/00/70/1072910070.db2.gz KXADRAIBGXOZDT-HXUWFJFHSA-N 2 1 385.577 3.984 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471063079 1072910072 /nfs/dbraw/zinc/91/00/72/1072910072.db2.gz KXADRAIBGXOZDT-HXUWFJFHSA-N 2 1 385.577 3.984 20 0 GHADMP Cc1ccc(NCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)[nH+]c1 ZINC001472012636 1073304454 /nfs/dbraw/zinc/30/44/54/1073304454.db2.gz IMINKQNZOVXWRX-FGZHOGPDSA-N 2 1 394.563 3.712 20 0 GHADMP Cc1ccc(NCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)[nH+]c1 ZINC001472012636 1073304456 /nfs/dbraw/zinc/30/44/56/1073304456.db2.gz IMINKQNZOVXWRX-FGZHOGPDSA-N 2 1 394.563 3.712 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472133993 1073340752 /nfs/dbraw/zinc/34/07/52/1073340752.db2.gz PXNGULPIRQLQGC-KRWDZBQOSA-N 2 1 378.476 3.840 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001472409331 1073472274 /nfs/dbraw/zinc/47/22/74/1073472274.db2.gz GXNQBGVKVQXXLY-NHCUHLMSSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC001473221259 1073870501 /nfs/dbraw/zinc/87/05/01/1073870501.db2.gz BLZWQMNMJSUJQL-HXUWFJFHSA-N 2 1 383.580 3.942 20 0 GHADMP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001473224433 1073873394 /nfs/dbraw/zinc/87/33/94/1073873394.db2.gz ZBAIGUQEKPUNII-UPVQGACJSA-N 2 1 379.548 3.661 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccncc3OCCC[NH+](C)C)s2)o1 ZINC001474165330 1074280859 /nfs/dbraw/zinc/28/08/59/1074280859.db2.gz KSPCDNWDXKBBCZ-UHFFFAOYSA-N 2 1 386.521 3.727 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Br)cc(Br)c3)[C@H]2C1 ZINC001474302871 1074331405 /nfs/dbraw/zinc/33/14/05/1074331405.db2.gz JCDGBUNPVHFTLN-CQDKDKBSSA-N 2 1 388.147 3.641 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC001474694497 1074519641 /nfs/dbraw/zinc/51/96/41/1074519641.db2.gz GFVIWBSQYDLILW-WMZOPIPTSA-N 2 1 378.442 3.860 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC001474694497 1074519649 /nfs/dbraw/zinc/51/96/49/1074519649.db2.gz GFVIWBSQYDLILW-WMZOPIPTSA-N 2 1 378.442 3.860 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(F)cc1Br ZINC001474748360 1074544743 /nfs/dbraw/zinc/54/47/43/1074544743.db2.gz MTFVMVMWKNZSTD-GZBFAFLISA-N 2 1 385.321 3.759 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000359894349 206268141 /nfs/dbraw/zinc/26/81/41/206268141.db2.gz FYQHZBXARMCYSK-DENIHFKCSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585793 607808370 /nfs/dbraw/zinc/80/83/70/607808370.db2.gz UDFWTKKLXJVOCQ-CMKODMSKSA-N 2 1 390.535 3.818 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000824094446 608362164 /nfs/dbraw/zinc/36/21/64/608362164.db2.gz VMJDRINCAWUHKG-UHFFFAOYSA-N 2 1 390.535 3.886 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824627605 609325030 /nfs/dbraw/zinc/32/50/30/609325030.db2.gz ZRQUAIISQCQCQI-MRXNPFEDSA-N 2 1 394.498 3.843 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164717491 720123642 /nfs/dbraw/zinc/12/36/42/720123642.db2.gz PNBOVRSNBWAIAY-QFIPXVFZSA-N 2 1 392.547 3.862 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164717491 720123645 /nfs/dbraw/zinc/12/36/45/720123645.db2.gz PNBOVRSNBWAIAY-QFIPXVFZSA-N 2 1 392.547 3.862 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843618 720675166 /nfs/dbraw/zinc/67/51/66/720675166.db2.gz WJNBNUFCMNVTNU-FQEVSTJZSA-N 2 1 390.531 3.833 20 0 GHADMP Cc1cc2c(nc[nH+]c2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164841034 720679053 /nfs/dbraw/zinc/67/90/53/720679053.db2.gz HDFDZQKNDDGSCK-IBGZPJMESA-N 2 1 391.519 3.526 20 0 GHADMP Cc1cc2c(nc[nH+]c2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001164841034 720679075 /nfs/dbraw/zinc/67/90/75/720679075.db2.gz HDFDZQKNDDGSCK-IBGZPJMESA-N 2 1 391.519 3.526 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1C ZINC000613537255 837454569 /nfs/dbraw/zinc/45/45/69/837454569.db2.gz INTDZUVDMUXKDD-IAGOWNOFSA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1C ZINC000613537255 837454572 /nfs/dbraw/zinc/45/45/72/837454572.db2.gz INTDZUVDMUXKDD-IAGOWNOFSA-N 2 1 385.581 3.943 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431778017 837467421 /nfs/dbraw/zinc/46/74/21/837467421.db2.gz FYNLUFIGBYWPSF-NQIIRXRSSA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431778017 837467426 /nfs/dbraw/zinc/46/74/26/837467426.db2.gz FYNLUFIGBYWPSF-NQIIRXRSSA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431778017 837467431 /nfs/dbraw/zinc/46/74/31/837467431.db2.gz FYNLUFIGBYWPSF-NQIIRXRSSA-N 2 1 389.609 3.873 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000173141090 837574838 /nfs/dbraw/zinc/57/48/38/837574838.db2.gz FUPKCGVFPINRLY-HXUWFJFHSA-N 2 1 390.572 3.745 20 0 GHADMP c1ccc(COCc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000655689646 837610484 /nfs/dbraw/zinc/61/04/84/837610484.db2.gz IUQBAVHWECSWCV-DEOSSOPVSA-N 2 1 380.532 3.746 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655691864 837673478 /nfs/dbraw/zinc/67/34/78/837673478.db2.gz YEIMYEMISHLWDA-GBXCKJPGSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655691864 837673484 /nfs/dbraw/zinc/67/34/84/837673484.db2.gz YEIMYEMISHLWDA-GBXCKJPGSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655691864 837673491 /nfs/dbraw/zinc/67/34/91/837673491.db2.gz YEIMYEMISHLWDA-GBXCKJPGSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655691864 837673497 /nfs/dbraw/zinc/67/34/97/837673497.db2.gz YEIMYEMISHLWDA-GBXCKJPGSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655691864 837673503 /nfs/dbraw/zinc/67/35/03/837673503.db2.gz YEIMYEMISHLWDA-GBXCKJPGSA-N 2 1 385.596 3.794 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1cccc(Br)c1 ZINC000655723929 837733284 /nfs/dbraw/zinc/73/32/84/837733284.db2.gz JKDHTXHODQVQRO-OXQOHEQNSA-N 2 1 395.385 3.861 20 0 GHADMP Clc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCOCC1 ZINC000655727842 837760868 /nfs/dbraw/zinc/76/08/68/837760868.db2.gz QTFGWJHJUVDOSM-IBGZPJMESA-N 2 1 392.971 3.621 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1oc2ccccc2c1Br ZINC000655735404 837765466 /nfs/dbraw/zinc/76/54/66/837765466.db2.gz UXTAWLWGDKSIKP-CQSZACIVSA-N 2 1 381.314 3.522 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458547842 834440596 /nfs/dbraw/zinc/44/05/96/834440596.db2.gz AGVZWUQYOYPHJF-KXTWHKPSSA-N 2 1 388.600 3.563 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000471416608 837778311 /nfs/dbraw/zinc/77/83/11/837778311.db2.gz WRZMOMVPUSZMTE-UHFFFAOYSA-N 2 1 391.559 3.737 20 0 GHADMP CCCN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511252428 834520502 /nfs/dbraw/zinc/52/05/02/834520502.db2.gz LEHGFZNAXNEJEF-NFBKMPQASA-N 2 1 398.595 3.723 20 0 GHADMP CCCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511252428 834520509 /nfs/dbraw/zinc/52/05/09/834520509.db2.gz LEHGFZNAXNEJEF-NFBKMPQASA-N 2 1 398.595 3.723 20 0 GHADMP CCCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511252428 834520514 /nfs/dbraw/zinc/52/05/14/834520514.db2.gz LEHGFZNAXNEJEF-NFBKMPQASA-N 2 1 398.595 3.723 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705546 834524275 /nfs/dbraw/zinc/52/42/75/834524275.db2.gz LCSILVHJHRYOMM-JENIJYKNSA-N 2 1 396.959 3.856 20 0 GHADMP Clc1ccc([C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CC2)cc1Cl ZINC000574982341 834570886 /nfs/dbraw/zinc/57/08/86/834570886.db2.gz XYOPVKRKUZRMLN-KRWDZBQOSA-N 2 1 380.323 3.819 20 0 GHADMP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(-c2ccccn2)n1 ZINC000657772200 834683566 /nfs/dbraw/zinc/68/35/66/834683566.db2.gz KKQLYGYPZCXIAA-NRFANRHFSA-N 2 1 387.531 3.659 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OCC(C)C ZINC000650722481 834689691 /nfs/dbraw/zinc/68/96/91/834689691.db2.gz VJKFGFYPZIICLN-QKNQBKEWSA-N 2 1 376.541 3.591 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C(C)(C)C(F)F ZINC000657867005 834691383 /nfs/dbraw/zinc/69/13/83/834691383.db2.gz DEISDASLCGUUIC-MRXNPFEDSA-N 2 1 384.511 3.946 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000616381031 834726204 /nfs/dbraw/zinc/72/62/04/834726204.db2.gz HNSUNECWXWKPHZ-LADGPHEKSA-N 2 1 397.607 3.664 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000616381031 834726214 /nfs/dbraw/zinc/72/62/14/834726214.db2.gz HNSUNECWXWKPHZ-LADGPHEKSA-N 2 1 397.607 3.664 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000161793517 834753238 /nfs/dbraw/zinc/75/32/38/834753238.db2.gz UMFBNYUJKQMYGJ-NRFANRHFSA-N 2 1 387.568 3.586 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000458801056 834757503 /nfs/dbraw/zinc/75/75/03/834757503.db2.gz WXYYXGGFEFUSAI-BWAGFHJFSA-N 2 1 388.600 3.756 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@@H]3c3cccs3)CC2)CC1 ZINC000583702889 834897491 /nfs/dbraw/zinc/89/74/91/834897491.db2.gz HVAPZWVLYXXADW-FQEVSTJZSA-N 2 1 389.609 3.854 20 0 GHADMP FC(F)(F)c1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655757349 837830883 /nfs/dbraw/zinc/83/08/83/837830883.db2.gz FNPYIILGGZWUHV-IBGZPJMESA-N 2 1 382.470 3.970 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)cc2)C[C@H](C)O1 ZINC000433327138 844018647 /nfs/dbraw/zinc/01/86/47/844018647.db2.gz QYMVTZREJUXPJS-CALCHBBNSA-N 2 1 380.492 3.569 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1)CC1CC1 ZINC000536141603 835119545 /nfs/dbraw/zinc/11/95/45/835119545.db2.gz WGQUQAXNSPDZNJ-UHFFFAOYSA-N 2 1 381.568 3.816 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000685606099 835218133 /nfs/dbraw/zinc/21/81/33/835218133.db2.gz NJHFEXIDLBTHOP-LEWJYISDSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000685606099 835218138 /nfs/dbraw/zinc/21/81/38/835218138.db2.gz NJHFEXIDLBTHOP-LEWJYISDSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000685606099 835218142 /nfs/dbraw/zinc/21/81/42/835218142.db2.gz NJHFEXIDLBTHOP-LEWJYISDSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000685606099 835218147 /nfs/dbraw/zinc/21/81/47/835218147.db2.gz NJHFEXIDLBTHOP-LEWJYISDSA-N 2 1 390.531 3.586 20 0 GHADMP CSc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000685612809 835225571 /nfs/dbraw/zinc/22/55/71/835225571.db2.gz HTTDUMHKKYICFZ-IBGZPJMESA-N 2 1 375.607 3.938 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000685644164 835254803 /nfs/dbraw/zinc/25/48/03/835254803.db2.gz YHJJQCQPKIYRLN-PXNSSMCTSA-N 2 1 380.561 3.936 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc(OC)c1OC ZINC000472347696 835263571 /nfs/dbraw/zinc/26/35/71/835263571.db2.gz PSWMOXZHSYICGW-LEWJYISDSA-N 2 1 398.547 3.885 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000458741636 835318855 /nfs/dbraw/zinc/31/88/55/835318855.db2.gz MBFHYMOTXMMBQP-FQEVSTJZSA-N 2 1 388.600 3.707 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000061855857 835329988 /nfs/dbraw/zinc/32/99/88/835329988.db2.gz VVESAHFDFRAWGX-UHFFFAOYSA-N 2 1 394.563 3.734 20 0 GHADMP C[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000433364348 844053267 /nfs/dbraw/zinc/05/32/67/844053267.db2.gz JMBRFQHQSBWYRL-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137459 835463168 /nfs/dbraw/zinc/46/31/68/835463168.db2.gz KVTJEPHSHJRUFG-YWZLYKJASA-N 2 1 376.903 3.767 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000458775994 835473909 /nfs/dbraw/zinc/47/39/09/835473909.db2.gz AHUNAHHWEKPGOL-OAQYLSRUSA-N 2 1 388.600 3.708 20 0 GHADMP Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000533412453 835486021 /nfs/dbraw/zinc/48/60/21/835486021.db2.gz LDPLTTVRWLNGLJ-GOSISDBHSA-N 2 1 385.577 3.658 20 0 GHADMP Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000533412453 835486023 /nfs/dbraw/zinc/48/60/23/835486023.db2.gz LDPLTTVRWLNGLJ-GOSISDBHSA-N 2 1 385.577 3.658 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658231178 835515805 /nfs/dbraw/zinc/51/58/05/835515805.db2.gz ANBPMPYFUPITGA-MVGLCXIQSA-N 2 1 378.564 3.917 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000647321114 835540059 /nfs/dbraw/zinc/54/00/59/835540059.db2.gz XZGUJAMAPGRMGG-OTWHNJEPSA-N 2 1 378.582 3.656 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000080650486 835586901 /nfs/dbraw/zinc/58/69/01/835586901.db2.gz DEVDLVOBLIXHFX-HNNXBMFYSA-N 2 1 378.542 3.682 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3CC3CCCC3)CC2)CC1 ZINC000655363695 835647709 /nfs/dbraw/zinc/64/77/09/835647709.db2.gz QVLWZYFGBSTNIE-QFIPXVFZSA-N 2 1 375.601 3.754 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)[C@@H]3c3ccccc3)CC2)CC1 ZINC000584123137 835663341 /nfs/dbraw/zinc/66/33/41/835663341.db2.gz MNOWMYQPMVEMMI-QHCPKHFHSA-N 2 1 395.591 3.937 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274862623 835705838 /nfs/dbraw/zinc/70/58/38/835705838.db2.gz DDEIUXTUWBMGLX-UGKGYDQZSA-N 2 1 395.547 3.640 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000047302031 835742180 /nfs/dbraw/zinc/74/21/80/835742180.db2.gz BBARSDUVJKJZDE-QFIPXVFZSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cscc2C(F)(F)F)c2cccs2)CC1 ZINC000584261358 835821133 /nfs/dbraw/zinc/82/11/33/835821133.db2.gz ZKWIMNTVFHVGQY-HNNXBMFYSA-N 2 1 389.512 3.907 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC000584351298 835904500 /nfs/dbraw/zinc/90/45/00/835904500.db2.gz AMIYNSRVDRBGQH-GOSISDBHSA-N 2 1 395.551 3.529 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)n1 ZINC000180165914 836101142 /nfs/dbraw/zinc/10/11/42/836101142.db2.gz DFKMDWMYLQRBLU-OEMFJLHTSA-N 2 1 390.575 3.859 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)[nH+]1 ZINC000180165914 836101147 /nfs/dbraw/zinc/10/11/47/836101147.db2.gz DFKMDWMYLQRBLU-OEMFJLHTSA-N 3 1 390.575 3.859 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)[nH+]1 ZINC000180165914 836101151 /nfs/dbraw/zinc/10/11/51/836101151.db2.gz DFKMDWMYLQRBLU-OEMFJLHTSA-N 3 1 390.575 3.859 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482104 844135742 /nfs/dbraw/zinc/13/57/42/844135742.db2.gz PBTHBTAAFVSJOU-VJBMBRPKSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000177291264 836262965 /nfs/dbraw/zinc/26/29/65/836262965.db2.gz PVYYOIXBDGNDDX-HXUWFJFHSA-N 2 1 387.568 3.540 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000509897722 844149316 /nfs/dbraw/zinc/14/93/16/844149316.db2.gz HGYYPTJWFSCYRE-KRWDZBQOSA-N 2 1 379.504 3.796 20 0 GHADMP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000057286362 836453091 /nfs/dbraw/zinc/45/30/91/836453091.db2.gz BQCOSSRTMJTPFT-UHFFFAOYSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000613491456 836541365 /nfs/dbraw/zinc/54/13/65/836541365.db2.gz SJDGMURQMSRMKV-LADGPHEKSA-N 2 1 388.596 3.885 20 0 GHADMP C[C@@H]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174869817 836578971 /nfs/dbraw/zinc/57/89/71/836578971.db2.gz XCZUIHLUQKWTBY-LJQANCHMSA-N 2 1 380.536 3.877 20 0 GHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000376056423 836689586 /nfs/dbraw/zinc/68/95/86/836689586.db2.gz VMUNXXQDDUTSMZ-FQEVSTJZSA-N 2 1 390.524 3.676 20 0 GHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332826048 836699323 /nfs/dbraw/zinc/69/93/23/836699323.db2.gz JLVBKMWVERWWIK-QWFCFKBJSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332826048 836699327 /nfs/dbraw/zinc/69/93/27/836699327.db2.gz JLVBKMWVERWWIK-QWFCFKBJSA-N 2 1 386.584 3.730 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000175762578 836988348 /nfs/dbraw/zinc/98/83/48/836988348.db2.gz BVYAQBHDGHZJCN-QGZVFWFLSA-N 2 1 383.540 3.661 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)c2sccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000512544068 844225807 /nfs/dbraw/zinc/22/58/07/844225807.db2.gz DNKPTPDYORKZAZ-IEBWSBKVSA-N 2 1 385.577 3.840 20 0 GHADMP CC[C@H]1C[N@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497844 837053846 /nfs/dbraw/zinc/05/38/46/837053846.db2.gz XRSIELWMSQGKIA-VQTJNVASSA-N 2 1 384.520 3.842 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497844 837053854 /nfs/dbraw/zinc/05/38/54/837053854.db2.gz XRSIELWMSQGKIA-VQTJNVASSA-N 2 1 384.520 3.842 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000510949648 844235108 /nfs/dbraw/zinc/23/51/08/844235108.db2.gz KYVSUHKDQWANAW-QFIPXVFZSA-N 2 1 378.564 3.941 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000510949648 844235115 /nfs/dbraw/zinc/23/51/15/844235115.db2.gz KYVSUHKDQWANAW-QFIPXVFZSA-N 2 1 378.564 3.941 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000431720856 837112529 /nfs/dbraw/zinc/11/25/29/837112529.db2.gz DVQJHGMUSNFDIS-JOCHJYFZSA-N 2 1 379.548 3.633 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000664107950 844244776 /nfs/dbraw/zinc/24/47/76/844244776.db2.gz RRDMLBGMNRPFNI-AZUAARDMSA-N 2 1 386.584 3.537 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000511420522 837201001 /nfs/dbraw/zinc/20/10/01/837201001.db2.gz FDNJALRRYFHDMN-QHCPKHFHSA-N 2 1 377.532 3.800 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000511420522 837201009 /nfs/dbraw/zinc/20/10/09/837201009.db2.gz FDNJALRRYFHDMN-QHCPKHFHSA-N 2 1 377.532 3.800 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000511420522 837201017 /nfs/dbraw/zinc/20/10/17/837201017.db2.gz FDNJALRRYFHDMN-QHCPKHFHSA-N 2 1 377.532 3.800 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000511420522 837201024 /nfs/dbraw/zinc/20/10/24/837201024.db2.gz FDNJALRRYFHDMN-QHCPKHFHSA-N 2 1 377.532 3.800 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000431739827 837243523 /nfs/dbraw/zinc/24/35/23/837243523.db2.gz MZIIQGXDLJWFSW-OAQYLSRUSA-N 2 1 380.467 3.629 20 0 GHADMP Brc1cccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000414354020 837309023 /nfs/dbraw/zinc/30/90/23/837309023.db2.gz TXLAOHGAMWZFGT-UHFFFAOYSA-N 2 1 392.385 3.630 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659030398 837310870 /nfs/dbraw/zinc/31/08/70/837310870.db2.gz GOZIZNAKIRWHLD-JOCHJYFZSA-N 2 1 396.535 3.509 20 0 GHADMP Brc1cccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000414356094 837348142 /nfs/dbraw/zinc/34/81/42/837348142.db2.gz YJSHIWNFMRNOBC-UXHICEINSA-N 2 1 392.385 3.630 20 0 GHADMP Clc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655777787 837862452 /nfs/dbraw/zinc/86/24/52/837862452.db2.gz ZETFQCGGPKHKGR-QGZVFWFLSA-N 2 1 387.749 3.836 20 0 GHADMP C[C@@H](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000177394827 837936747 /nfs/dbraw/zinc/93/67/47/837936747.db2.gz OEMAYSOMTLAZCI-SFHVURJKSA-N 2 1 375.557 3.886 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000579973986 838225405 /nfs/dbraw/zinc/22/54/05/838225405.db2.gz RTSIUJIFXLOMBJ-USWKJHDZSA-N 2 1 381.564 3.705 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000415900836 838246971 /nfs/dbraw/zinc/24/69/71/838246971.db2.gz MGXGHLRBTATLCT-QHCPKHFHSA-N 2 1 378.520 3.536 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000376566243 838247893 /nfs/dbraw/zinc/24/78/93/838247893.db2.gz MPNBNTITXZMHGY-SFHVURJKSA-N 2 1 390.535 3.541 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000376566243 838247900 /nfs/dbraw/zinc/24/79/00/838247900.db2.gz MPNBNTITXZMHGY-SFHVURJKSA-N 2 1 390.535 3.541 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000415915866 838264654 /nfs/dbraw/zinc/26/46/54/838264654.db2.gz ALWPITYRVONYDN-FYYLOGMGSA-N 2 1 392.547 3.924 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415909919 838266515 /nfs/dbraw/zinc/26/65/15/838266515.db2.gz UURBCRZRKHSQCJ-IBGZPJMESA-N 2 1 380.536 3.924 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415958905 838328150 /nfs/dbraw/zinc/32/81/50/838328150.db2.gz SBQWTOCDCVFWCR-HXUWFJFHSA-N 2 1 380.536 3.782 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000124499554 838558544 /nfs/dbraw/zinc/55/85/44/838558544.db2.gz MMPFUAUTCFDAAK-AWEZNQCLSA-N 2 1 389.918 3.866 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)cc1F ZINC000376832862 838769170 /nfs/dbraw/zinc/76/91/70/838769170.db2.gz GRXIDPWKGFWSDG-OAHLLOKOSA-N 2 1 376.439 3.751 20 0 GHADMP C[C@@H](Cc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376903117 838816092 /nfs/dbraw/zinc/81/60/92/838816092.db2.gz LFXNJRZFCBNSAZ-FQEVSTJZSA-N 2 1 385.596 3.520 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378302338 838821402 /nfs/dbraw/zinc/82/14/02/838821402.db2.gz XDFBBSIPKZAOTM-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001125873093 838884934 /nfs/dbraw/zinc/88/49/34/838884934.db2.gz ZIOFWEMHJMOMJR-DEOSSOPVSA-N 2 1 393.575 3.879 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)n1 ZINC000415059079 839130372 /nfs/dbraw/zinc/13/03/72/839130372.db2.gz WNGCSGOGUQUSCC-SJLPKXTDSA-N 2 1 378.442 3.855 20 0 GHADMP [NH3+]C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CCCC1 ZINC000415066124 839144653 /nfs/dbraw/zinc/14/46/53/839144653.db2.gz NXPCVFUTELVDKQ-LJQANCHMSA-N 2 1 380.374 3.521 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000378525184 839278960 /nfs/dbraw/zinc/27/89/60/839278960.db2.gz ZEMKNKUMRKUMTQ-QUCCMNQESA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378525184 839278971 /nfs/dbraw/zinc/27/89/71/839278971.db2.gz ZEMKNKUMRKUMTQ-QUCCMNQESA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378525184 839278986 /nfs/dbraw/zinc/27/89/86/839278986.db2.gz ZEMKNKUMRKUMTQ-QUCCMNQESA-N 2 1 386.584 3.684 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561446 839319866 /nfs/dbraw/zinc/31/98/66/839319866.db2.gz PUAYDWNOGLOVQR-JOCHJYFZSA-N 2 1 377.532 3.675 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561446 839319877 /nfs/dbraw/zinc/31/98/77/839319877.db2.gz PUAYDWNOGLOVQR-JOCHJYFZSA-N 2 1 377.532 3.675 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000511561446 839319891 /nfs/dbraw/zinc/31/98/91/839319891.db2.gz PUAYDWNOGLOVQR-JOCHJYFZSA-N 2 1 377.532 3.675 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000622752281 839424452 /nfs/dbraw/zinc/42/44/52/839424452.db2.gz YNKNBSDQKOJTRZ-DHIUTWEWSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000622752281 839424455 /nfs/dbraw/zinc/42/44/55/839424455.db2.gz YNKNBSDQKOJTRZ-DHIUTWEWSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000622752281 839424464 /nfs/dbraw/zinc/42/44/64/839424464.db2.gz YNKNBSDQKOJTRZ-DHIUTWEWSA-N 2 1 383.580 3.559 20 0 GHADMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000312855514 839573698 /nfs/dbraw/zinc/57/36/98/839573698.db2.gz GXILCWZXTLZRNT-IBGZPJMESA-N 2 1 383.502 3.905 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580722906 840060982 /nfs/dbraw/zinc/06/09/82/840060982.db2.gz JXPCDXBAZLPFAZ-NHCUHLMSSA-N 2 1 397.588 3.598 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580722906 840060992 /nfs/dbraw/zinc/06/09/92/840060992.db2.gz JXPCDXBAZLPFAZ-NHCUHLMSSA-N 2 1 397.588 3.598 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580722906 840060998 /nfs/dbraw/zinc/06/09/98/840060998.db2.gz JXPCDXBAZLPFAZ-NHCUHLMSSA-N 2 1 397.588 3.598 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000510353243 840231755 /nfs/dbraw/zinc/23/17/55/840231755.db2.gz HCNPVLUVIMRAJN-HXUWFJFHSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000416976642 840320884 /nfs/dbraw/zinc/32/08/84/840320884.db2.gz OTDXAZMRSRLQTG-AUSIDOKSSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000416969898 840325720 /nfs/dbraw/zinc/32/57/20/840325720.db2.gz LVAQWKWWUPMSKM-RTBURBONSA-N 2 1 394.563 3.938 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000416970578 840327644 /nfs/dbraw/zinc/32/76/44/840327644.db2.gz FHEJWRBLRWOKFE-AVRDEDQJSA-N 2 1 380.536 3.560 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000416972982 840329903 /nfs/dbraw/zinc/32/99/03/840329903.db2.gz TUTBLRALNDQYGH-AUSIDOKSSA-N 2 1 398.595 3.592 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)ccc1Cl ZINC000580938659 840475853 /nfs/dbraw/zinc/47/58/53/840475853.db2.gz HSHVZHOXWHJASL-QGZVFWFLSA-N 2 1 381.973 3.558 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](C)C1 ZINC000364035497 840498295 /nfs/dbraw/zinc/49/82/95/840498295.db2.gz QGWZENFYSOEVAW-DSKINZAPSA-N 2 1 386.584 3.682 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](C)C1 ZINC000364035497 840498302 /nfs/dbraw/zinc/49/83/02/840498302.db2.gz QGWZENFYSOEVAW-DSKINZAPSA-N 2 1 386.584 3.682 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000310024907 840505549 /nfs/dbraw/zinc/50/55/49/840505549.db2.gz UCCLHRBFPXYYRU-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000511695527 840509809 /nfs/dbraw/zinc/50/98/09/840509809.db2.gz JSGAGAOKWVAQRI-UHFFFAOYSA-N 2 1 399.604 3.981 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000511695527 840509818 /nfs/dbraw/zinc/50/98/18/840509818.db2.gz JSGAGAOKWVAQRI-UHFFFAOYSA-N 2 1 399.604 3.981 20 0 GHADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000364036014 840511547 /nfs/dbraw/zinc/51/15/47/840511547.db2.gz RKSAZWZKCGOCSQ-QUCCMNQESA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001167442908 840604925 /nfs/dbraw/zinc/60/49/25/840604925.db2.gz JLDKBRZNJSQTAL-VXKWHMMOSA-N 2 1 379.633 3.852 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000417221524 840615619 /nfs/dbraw/zinc/61/56/19/840615619.db2.gz OWEUBWYARCWWTL-NQIIRXRSSA-N 2 1 386.584 3.768 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000417221523 840615630 /nfs/dbraw/zinc/61/56/30/840615630.db2.gz OWEUBWYARCWWTL-GHTZIAJQSA-N 2 1 386.584 3.768 20 0 GHADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417221512 840615798 /nfs/dbraw/zinc/61/57/98/840615798.db2.gz OWBDJSTZCGNVAA-FDDCHVKYSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000417221512 840615801 /nfs/dbraw/zinc/61/58/01/840615801.db2.gz OWBDJSTZCGNVAA-FDDCHVKYSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000581092176 840682830 /nfs/dbraw/zinc/68/28/30/840682830.db2.gz XUVAEYYUQYCTDL-HUVFLSCGSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000581092176 840682836 /nfs/dbraw/zinc/68/28/36/840682836.db2.gz XUVAEYYUQYCTDL-HUVFLSCGSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000581092176 840682842 /nfs/dbraw/zinc/68/28/42/840682842.db2.gz XUVAEYYUQYCTDL-HUVFLSCGSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000581092177 840683111 /nfs/dbraw/zinc/68/31/11/840683111.db2.gz XUVAEYYUQYCTDL-QDSKXPNFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000581092177 840683114 /nfs/dbraw/zinc/68/31/14/840683114.db2.gz XUVAEYYUQYCTDL-QDSKXPNFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000581092177 840683120 /nfs/dbraw/zinc/68/31/20/840683120.db2.gz XUVAEYYUQYCTDL-QDSKXPNFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000511774746 840705134 /nfs/dbraw/zinc/70/51/34/840705134.db2.gz XLVDDNWWPQSDRV-FQEVSTJZSA-N 2 1 379.548 3.780 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@H](C)C3)CC2)CC1 ZINC000581141519 840778511 /nfs/dbraw/zinc/77/85/11/840778511.db2.gz YHUMCYVPHKPOAR-HYBUGGRVSA-N 2 1 397.607 3.835 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473505401 844574733 /nfs/dbraw/zinc/57/47/33/844574733.db2.gz IQUQGPLNYVQHTI-XMMPIXPASA-N 2 1 394.563 3.911 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473505401 844574743 /nfs/dbraw/zinc/57/47/43/844574743.db2.gz IQUQGPLNYVQHTI-XMMPIXPASA-N 2 1 394.563 3.911 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373265 840862728 /nfs/dbraw/zinc/86/27/28/840862728.db2.gz OPFCBRHPDFQBPP-YLJYHZDGSA-N 2 1 389.337 3.594 20 0 GHADMP C[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000364145171 840983759 /nfs/dbraw/zinc/98/37/59/840983759.db2.gz MMAVKOKHPFIWRS-LJQANCHMSA-N 2 1 386.584 3.585 20 0 GHADMP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679222 841084508 /nfs/dbraw/zinc/08/45/08/841084508.db2.gz JQVGBYWSIGZVLA-OAQYLSRUSA-N 2 1 381.545 3.744 20 0 GHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000584858123 841096137 /nfs/dbraw/zinc/09/61/37/841096137.db2.gz ITFGHHFXMVSRGR-UHFFFAOYSA-N 2 1 397.567 3.841 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000584858123 841096146 /nfs/dbraw/zinc/09/61/46/841096146.db2.gz ITFGHHFXMVSRGR-UHFFFAOYSA-N 2 1 397.567 3.841 20 0 GHADMP CN(Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660732960 841142029 /nfs/dbraw/zinc/14/20/29/841142029.db2.gz HWXKDLALXMEMNB-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000660732960 841142033 /nfs/dbraw/zinc/14/20/33/841142033.db2.gz HWXKDLALXMEMNB-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000660732960 841142037 /nfs/dbraw/zinc/14/20/37/841142037.db2.gz HWXKDLALXMEMNB-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660732960 841142041 /nfs/dbraw/zinc/14/20/41/841142041.db2.gz HWXKDLALXMEMNB-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660732960 841142045 /nfs/dbraw/zinc/14/20/45/841142045.db2.gz HWXKDLALXMEMNB-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccc(Cl)cc1 ZINC000364182867 841315491 /nfs/dbraw/zinc/31/54/91/841315491.db2.gz PYCANXPYRJBRSP-UHFFFAOYSA-N 2 1 391.987 3.537 20 0 GHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417982393 841354877 /nfs/dbraw/zinc/35/48/77/841354877.db2.gz ADRIZFLHAROBMU-HSALFYBXSA-N 2 1 396.526 3.503 20 0 GHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417982393 841354887 /nfs/dbraw/zinc/35/48/87/841354887.db2.gz ADRIZFLHAROBMU-HSALFYBXSA-N 2 1 396.526 3.503 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000661411628 841719887 /nfs/dbraw/zinc/71/98/87/841719887.db2.gz ZNAFIFLORBXDKB-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000157276339 841743178 /nfs/dbraw/zinc/74/31/78/841743178.db2.gz DXDVITJSBIXVMO-PGRDOPGGSA-N 2 1 387.568 3.650 20 0 GHADMP C[N@H+]1CCCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000623607134 861240211 /nfs/dbraw/zinc/24/02/11/861240211.db2.gz XMJIAUXOOYQAOT-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000569348877 842141913 /nfs/dbraw/zinc/14/19/13/842141913.db2.gz LYXCFLWDJXJFLW-XMSQKQJNSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000569348877 842141918 /nfs/dbraw/zinc/14/19/18/842141918.db2.gz LYXCFLWDJXJFLW-XMSQKQJNSA-N 2 1 383.511 3.588 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000130391674 842266691 /nfs/dbraw/zinc/26/66/91/842266691.db2.gz OQBUCRVJHDOUSX-UHFFFAOYSA-N 2 1 392.522 3.851 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000510468080 842271967 /nfs/dbraw/zinc/27/19/67/842271967.db2.gz WRZGFLIOPWEZQB-UHFFFAOYSA-N 2 1 397.357 3.917 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000510468080 842271974 /nfs/dbraw/zinc/27/19/74/842271974.db2.gz WRZGFLIOPWEZQB-UHFFFAOYSA-N 2 1 397.357 3.917 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000652348228 842320999 /nfs/dbraw/zinc/32/09/99/842320999.db2.gz YEWCADDHJFDNLJ-SZVBFZGTSA-N 2 1 386.458 3.693 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000652349105 842328557 /nfs/dbraw/zinc/32/85/57/842328557.db2.gz ALAAAEWJKNMFDT-VWPQPMDRSA-N 2 1 390.531 3.720 20 0 GHADMP CCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000512052953 842339521 /nfs/dbraw/zinc/33/95/21/842339521.db2.gz NXCABTFUPWPVTG-UHFFFAOYSA-N 3 1 386.609 3.987 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000432414293 842423559 /nfs/dbraw/zinc/42/35/59/842423559.db2.gz KKRKNXLBLRONGM-VQTJNVASSA-N 2 1 384.568 3.949 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000432414293 842423564 /nfs/dbraw/zinc/42/35/64/842423564.db2.gz KKRKNXLBLRONGM-VQTJNVASSA-N 2 1 384.568 3.949 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512087621 842454522 /nfs/dbraw/zinc/45/45/22/842454522.db2.gz JWVRLLSGEBMERU-OAHLLOKOSA-N 2 1 388.419 3.887 20 0 GHADMP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@@H]([NH3+])c1ccccc1 ZINC000430702905 842814290 /nfs/dbraw/zinc/81/42/90/842814290.db2.gz DCRAGWAFZCNQPL-ZWSUVBHBSA-N 2 1 391.559 3.837 20 0 GHADMP C[C@@H]1CCc2nc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)sc2C1 ZINC000512185593 842833685 /nfs/dbraw/zinc/83/36/85/842833685.db2.gz KKMVPEUWOIDUIQ-BRWVUGGUSA-N 2 1 377.598 3.589 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(OC(F)F)c1 ZINC000512188132 842834348 /nfs/dbraw/zinc/83/43/48/842834348.db2.gz WCUVNEOKXOKMPK-HOTGVXAUSA-N 2 1 398.494 3.618 20 0 GHADMP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000474891677 861353611 /nfs/dbraw/zinc/35/36/11/861353611.db2.gz DYUOQXSXEWJZIH-RTWAWAEBSA-N 2 1 387.568 3.652 20 0 GHADMP CC(C)C[C@H](N)c1noc([C@@H](N)Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000663251912 842901661 /nfs/dbraw/zinc/90/16/61/842901661.db2.gz YAFDDXSITOXXLI-PMACEKPBSA-N 2 1 380.492 3.937 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000188350507 842901794 /nfs/dbraw/zinc/90/17/94/842901794.db2.gz BNMRQEIKVJVZEG-HSZRJFAPSA-N 2 1 395.547 3.758 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000188350507 842901808 /nfs/dbraw/zinc/90/18/08/842901808.db2.gz BNMRQEIKVJVZEG-HSZRJFAPSA-N 2 1 395.547 3.758 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510544818 842938765 /nfs/dbraw/zinc/93/87/65/842938765.db2.gz JMCJKEPQWQTKBQ-SEIRJHJZSA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510544818 842938771 /nfs/dbraw/zinc/93/87/71/842938771.db2.gz JMCJKEPQWQTKBQ-SEIRJHJZSA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510544818 842938777 /nfs/dbraw/zinc/93/87/77/842938777.db2.gz JMCJKEPQWQTKBQ-SEIRJHJZSA-N 2 1 398.595 3.774 20 0 GHADMP COc1ccc2c(c1)[C@H]([N@H+](Cc1ccccc1)C[C@H]1CCC3(C[NH2+]C3)O1)CCO2 ZINC000662254755 843018875 /nfs/dbraw/zinc/01/88/75/843018875.db2.gz LCHPGKKFHYWMHV-IFMALSPDSA-N 2 1 394.515 3.542 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430820860 843024124 /nfs/dbraw/zinc/02/41/24/843024124.db2.gz JUIOSQHOUZDPNX-YMPZKCBVSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430820860 843024140 /nfs/dbraw/zinc/02/41/40/843024140.db2.gz JUIOSQHOUZDPNX-YMPZKCBVSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430820860 843024143 /nfs/dbraw/zinc/02/41/43/843024143.db2.gz JUIOSQHOUZDPNX-YMPZKCBVSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000430820860 843024155 /nfs/dbraw/zinc/02/41/55/843024155.db2.gz JUIOSQHOUZDPNX-YMPZKCBVSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000178462159 861370547 /nfs/dbraw/zinc/37/05/47/861370547.db2.gz LGELPSVSYPJKRZ-HZPDHXFCSA-N 2 1 398.532 3.964 20 0 GHADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Cc1ccccc1 ZINC000662296221 843092159 /nfs/dbraw/zinc/09/21/59/843092159.db2.gz YGWRORCLBSSVJK-QHCPKHFHSA-N 2 1 391.559 3.928 20 0 GHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1CCC[NH3+] ZINC000662314131 843133496 /nfs/dbraw/zinc/13/34/96/843133496.db2.gz NBNUQOPTZYGVGU-IUODEOHRSA-N 2 1 389.874 3.719 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CCC[NH3+] ZINC000662317117 843142975 /nfs/dbraw/zinc/14/29/75/843142975.db2.gz ZTKZCRBIWICJIK-RHSMWYFYSA-N 2 1 382.346 3.617 20 0 GHADMP C[NH2+][C@@H](C(=O)NCc1ccccc1C[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662354323 843166939 /nfs/dbraw/zinc/16/69/39/843166939.db2.gz COTNMSVRHJWBDX-GOSISDBHSA-N 2 1 380.319 3.632 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000178706057 861399074 /nfs/dbraw/zinc/39/90/74/861399074.db2.gz YYPMZNAUUBTTAX-KBPBESRZSA-N 2 1 398.429 3.733 20 0 GHADMP O=C(CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccccc1 ZINC000663368861 843337947 /nfs/dbraw/zinc/33/79/47/843337947.db2.gz PXMKDJFQWWFWRC-NRFANRHFSA-N 2 1 377.532 3.907 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503880 843349670 /nfs/dbraw/zinc/34/96/70/843349670.db2.gz XPQNUIUKCAKXGS-NHTMILBNSA-N 2 1 389.543 3.734 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000165298373 843356977 /nfs/dbraw/zinc/35/69/77/843356977.db2.gz IJOLCHHKJZWWAY-TZIWHRDSSA-N 2 1 393.531 3.858 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000662515603 843371872 /nfs/dbraw/zinc/37/18/72/843371872.db2.gz XFJMBLPKCHPUKF-NHCUHLMSSA-N 2 1 385.458 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000662515603 843371879 /nfs/dbraw/zinc/37/18/79/843371879.db2.gz XFJMBLPKCHPUKF-NHCUHLMSSA-N 2 1 385.458 3.522 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418657837 843507145 /nfs/dbraw/zinc/50/71/45/843507145.db2.gz INUAABJWYUPWCT-OFNKIYASSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675655 843510728 /nfs/dbraw/zinc/51/07/28/843510728.db2.gz PBBMVTXXTQEVAE-VFNWGFHPSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675655 843510730 /nfs/dbraw/zinc/51/07/30/843510730.db2.gz PBBMVTXXTQEVAE-VFNWGFHPSA-N 2 1 387.474 3.655 20 0 GHADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(Br)c1OC ZINC000093089011 843647328 /nfs/dbraw/zinc/64/73/28/843647328.db2.gz HDJWHJYVCAOLPQ-UHFFFAOYSA-N 2 1 385.346 3.630 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001167821082 843696890 /nfs/dbraw/zinc/69/68/90/843696890.db2.gz AKRKZJCEOIUKKV-CWKRKGSWSA-N 2 1 389.584 3.731 20 0 GHADMP C[C@H](CCc1ccccc1)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512411305 843722758 /nfs/dbraw/zinc/72/27/58/843722758.db2.gz XJOSNPWCIQGVTA-RCZVLFRGSA-N 2 1 377.576 3.900 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512425032 843757971 /nfs/dbraw/zinc/75/79/71/843757971.db2.gz WRZAYGRIECXINE-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP CCOc1c(Cl)cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1OC ZINC000512431729 843772484 /nfs/dbraw/zinc/77/24/84/843772484.db2.gz AJVDDWAJQFZRDY-UHFFFAOYSA-N 2 1 396.959 3.682 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000052000254 843825274 /nfs/dbraw/zinc/82/52/74/843825274.db2.gz XMVBLTWPNBHORX-UHFFFAOYSA-N 2 1 399.966 3.595 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)c2)cc1 ZINC000432793224 843844363 /nfs/dbraw/zinc/84/43/63/843844363.db2.gz NRGAEQNGNMRWBS-OAQYLSRUSA-N 2 1 381.520 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)c2)cc1 ZINC000432793224 843844375 /nfs/dbraw/zinc/84/43/75/843844375.db2.gz NRGAEQNGNMRWBS-OAQYLSRUSA-N 2 1 381.520 3.864 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCOC4(CCOCC4)C3)cc2)CC1 ZINC000894131455 843866992 /nfs/dbraw/zinc/86/69/92/843866992.db2.gz RCJVUHHFHJGTTM-NRFANRHFSA-N 2 1 387.568 3.605 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000391468579 843898156 /nfs/dbraw/zinc/89/81/56/843898156.db2.gz HQFKZYDEVFBGGX-DZGCQCFKSA-N 2 1 385.346 3.819 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000391468579 843898166 /nfs/dbraw/zinc/89/81/66/843898166.db2.gz HQFKZYDEVFBGGX-DZGCQCFKSA-N 2 1 385.346 3.819 20 0 GHADMP Cc1cccc(CCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512479043 843959753 /nfs/dbraw/zinc/95/97/53/843959753.db2.gz FODCBQRFUJXPHH-RUZDIDTESA-N 2 1 377.576 3.820 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000180995758 844678707 /nfs/dbraw/zinc/67/87/07/844678707.db2.gz WGBFEJANHDDVIZ-NRFANRHFSA-N 2 1 380.463 3.942 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000180995758 844678712 /nfs/dbraw/zinc/67/87/12/844678712.db2.gz WGBFEJANHDDVIZ-NRFANRHFSA-N 2 1 380.463 3.942 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2C=CCCCCC2)CC1)Cc1ccccc1 ZINC000549866435 844732701 /nfs/dbraw/zinc/73/27/01/844732701.db2.gz VZUMCLXJYXISRG-HSZRJFAPSA-N 2 1 383.580 3.836 20 0 GHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549928240 844813070 /nfs/dbraw/zinc/81/30/70/844813070.db2.gz LAJSZKYDIFCSRJ-KDURUIRLSA-N 2 1 389.584 3.604 20 0 GHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549928240 844813091 /nfs/dbraw/zinc/81/30/91/844813091.db2.gz LAJSZKYDIFCSRJ-KDURUIRLSA-N 2 1 389.584 3.604 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)NCc1ccccc1 ZINC000512668288 844974347 /nfs/dbraw/zinc/97/43/47/844974347.db2.gz UISQLGWLMRJEOA-WXFUMESZSA-N 2 1 391.559 3.583 20 0 GHADMP c1cc(-c2ccccc2)oc1CNCc1cccc(OCCN2CCOCC2)c1 ZINC000121680565 845047465 /nfs/dbraw/zinc/04/74/65/845047465.db2.gz UISRAGBVWBUKQP-UHFFFAOYSA-N 2 1 392.499 3.947 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433074560 845183555 /nfs/dbraw/zinc/18/35/55/845183555.db2.gz INXFRRFGDXDBIF-NRFANRHFSA-N 2 1 391.559 3.852 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cc(F)ccc1F ZINC000179394609 861563319 /nfs/dbraw/zinc/56/33/19/861563319.db2.gz OXOCUGYETWWQPJ-UHFFFAOYSA-N 2 1 388.462 3.537 20 0 GHADMP C[C@H](NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000179395440 861562745 /nfs/dbraw/zinc/56/27/45/861562745.db2.gz DEDCOCHDPRRNFS-KRWDZBQOSA-N 2 1 386.565 3.559 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H](C)C1 ZINC000249300399 845533139 /nfs/dbraw/zinc/53/31/39/845533139.db2.gz NKQIHRULUSSMOK-HTAPYJJXSA-N 2 1 398.547 3.508 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H](C)C1 ZINC000249300399 845533144 /nfs/dbraw/zinc/53/31/44/845533144.db2.gz NKQIHRULUSSMOK-HTAPYJJXSA-N 2 1 398.547 3.508 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000511020282 845638666 /nfs/dbraw/zinc/63/86/66/845638666.db2.gz XWPSTYNJMXELDT-VQTJNVASSA-N 2 1 379.548 3.713 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657308489 845969836 /nfs/dbraw/zinc/96/98/36/845969836.db2.gz UCKSCBQRYCQBCW-UHFFFAOYSA-N 2 1 386.515 3.520 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000892150409 846069638 /nfs/dbraw/zinc/06/96/38/846069638.db2.gz LYOPHLISUUGPIZ-UHFFFAOYSA-N 2 1 389.632 3.709 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657312505 846070269 /nfs/dbraw/zinc/07/02/69/846070269.db2.gz KQPWRAKCBZUCES-UHFFFAOYSA-N 2 1 380.561 3.724 20 0 GHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167533940 846089783 /nfs/dbraw/zinc/08/97/83/846089783.db2.gz OIZUJKCUBRHENV-WTNAPCKOSA-N 2 1 383.511 3.628 20 0 GHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167533940 846089786 /nfs/dbraw/zinc/08/97/86/846089786.db2.gz OIZUJKCUBRHENV-WTNAPCKOSA-N 2 1 383.511 3.628 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN3C[C@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358359 846171237 /nfs/dbraw/zinc/17/12/37/846171237.db2.gz BTWWOELPODLZBP-JKSUJKDBSA-N 2 1 393.597 3.852 20 0 GHADMP CC(C)N1CCc2nc(CN3C[C@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358359 846171239 /nfs/dbraw/zinc/17/12/39/846171239.db2.gz BTWWOELPODLZBP-JKSUJKDBSA-N 2 1 393.597 3.852 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C4CC4)c3)c2)C1 ZINC000421365218 846178003 /nfs/dbraw/zinc/17/80/03/846178003.db2.gz QLRBTDDSMVZWTQ-QHCPKHFHSA-N 2 1 377.532 3.551 20 0 GHADMP CCN1CCC([N@H+]2CCCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000421372184 846184431 /nfs/dbraw/zinc/18/44/31/846184431.db2.gz KPTSCCUXUZAAFM-UHFFFAOYSA-N 2 1 387.465 3.837 20 0 GHADMP CC[NH+]1CCC(N2CCCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000421372184 846184433 /nfs/dbraw/zinc/18/44/33/846184433.db2.gz KPTSCCUXUZAAFM-UHFFFAOYSA-N 2 1 387.465 3.837 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513668433 846215556 /nfs/dbraw/zinc/21/55/56/846215556.db2.gz YNCRVUITQLFRIV-RBZQAINGSA-N 2 1 391.559 3.827 20 0 GHADMP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000657329216 846269745 /nfs/dbraw/zinc/26/97/45/846269745.db2.gz JXQUGBJXJYKTGN-WOJBJXKFSA-N 2 1 398.547 3.611 20 0 GHADMP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000657329216 846269758 /nfs/dbraw/zinc/26/97/58/846269758.db2.gz JXQUGBJXJYKTGN-WOJBJXKFSA-N 2 1 398.547 3.611 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000056525007 846339838 /nfs/dbraw/zinc/33/98/38/846339838.db2.gz GGLWBQAFVTYRBM-UHFFFAOYSA-N 2 1 393.329 3.663 20 0 GHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1OC ZINC000280283729 846350578 /nfs/dbraw/zinc/35/05/78/846350578.db2.gz MXZUSZCZGLSPQA-ROUUACIJSA-N 2 1 378.557 3.675 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000502768924 846450043 /nfs/dbraw/zinc/45/00/43/846450043.db2.gz SLMHMOMGKMMPRM-KOENEWCDSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502794487 846472270 /nfs/dbraw/zinc/47/22/70/846472270.db2.gz INXUZRKCXVJVFS-BGYRXZFFSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019902 846554872 /nfs/dbraw/zinc/55/48/72/846554872.db2.gz JYJMMYYCMCAGMW-UHFFFAOYSA-N 2 1 386.927 3.912 20 0 GHADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046234 846572949 /nfs/dbraw/zinc/57/29/49/846572949.db2.gz LWVKEQDDWGCBAB-UHFFFAOYSA-N 2 1 376.504 3.902 20 0 GHADMP O[C@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554593 846608551 /nfs/dbraw/zinc/60/85/51/846608551.db2.gz RIUBBPAFWWLDNH-RPBOFIJWSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@H](CCc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554593 846608555 /nfs/dbraw/zinc/60/85/55/846608555.db2.gz RIUBBPAFWWLDNH-RPBOFIJWSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@H](CCc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554593 846608561 /nfs/dbraw/zinc/60/85/61/846608561.db2.gz RIUBBPAFWWLDNH-RPBOFIJWSA-N 2 1 378.560 3.968 20 0 GHADMP Cc1cc(OCC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1C(C)C ZINC000501101213 846643633 /nfs/dbraw/zinc/64/36/33/846643633.db2.gz IMABHDMCIKXOMK-VXKWHMMOSA-N 2 1 387.612 3.988 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501150357 846698684 /nfs/dbraw/zinc/69/86/84/846698684.db2.gz LNXGLYKDSTWESV-HKUYNNGSSA-N 2 1 380.602 3.695 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(OC4CC4)c3F)CC2)oc1C ZINC000657372442 846709902 /nfs/dbraw/zinc/70/99/02/846709902.db2.gz SRDBDBOEBKQFML-UHFFFAOYSA-N 2 1 387.499 3.974 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@@H](C)C1 ZINC000503031036 846732465 /nfs/dbraw/zinc/73/24/65/846732465.db2.gz IBAWYBMDQPJPBL-XHDPSFHLSA-N 2 1 392.712 3.765 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@@H](C)C1 ZINC000503031036 846732470 /nfs/dbraw/zinc/73/24/70/846732470.db2.gz IBAWYBMDQPJPBL-XHDPSFHLSA-N 2 1 392.712 3.765 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCC1)c1ccccc1 ZINC000503080003 846782385 /nfs/dbraw/zinc/78/23/85/846782385.db2.gz DQCFYLQAFYFJKF-TYPHKJRUSA-N 2 1 384.568 3.576 20 0 GHADMP Clc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1I ZINC000503088122 846794488 /nfs/dbraw/zinc/79/44/88/846794488.db2.gz UXDZAQXCPYEVRZ-STQMWFEESA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1I ZINC000503088122 846794494 /nfs/dbraw/zinc/79/44/94/846794494.db2.gz UXDZAQXCPYEVRZ-STQMWFEESA-N 2 1 390.696 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657398806 846927926 /nfs/dbraw/zinc/92/79/26/846927926.db2.gz NGYZRFPNKRSDKE-HUUCEWRRSA-N 2 1 380.458 3.685 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000501519099 846980395 /nfs/dbraw/zinc/98/03/95/846980395.db2.gz JEAPYYIHAPHGMN-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501526716 846986367 /nfs/dbraw/zinc/98/63/67/846986367.db2.gz CXUDDUIQWKKRHK-UHFFFAOYSA-N 2 1 381.520 3.995 20 0 GHADMP C[C@@H]1CC([N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044599 861741624 /nfs/dbraw/zinc/74/16/24/861741624.db2.gz GAWSTQVOEVDRBV-YHXSNJQLSA-N 2 1 399.579 3.883 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501530547 846996871 /nfs/dbraw/zinc/99/68/71/846996871.db2.gz WLEDIIRBVFOLAH-UHFFFAOYSA-N 2 1 384.499 3.706 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)cc1 ZINC000420296406 847090157 /nfs/dbraw/zinc/09/01/57/847090157.db2.gz DMGPUHYHGNQOTJ-ITAUSPCMSA-N 2 1 398.547 3.552 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552337 847108836 /nfs/dbraw/zinc/10/88/36/847108836.db2.gz FLSTVNIQQDATOQ-YKSBVNFPSA-N 2 1 391.559 3.809 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420356204 847135845 /nfs/dbraw/zinc/13/58/45/847135845.db2.gz GDKJKEMAZCFXKN-KRWDZBQOSA-N 3 1 383.502 3.991 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420356204 847135852 /nfs/dbraw/zinc/13/58/52/847135852.db2.gz GDKJKEMAZCFXKN-KRWDZBQOSA-N 3 1 383.502 3.991 20 0 GHADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)C1CCN(CCc2ccccn2)CC1 ZINC000273286773 847294064 /nfs/dbraw/zinc/29/40/64/847294064.db2.gz DXUXAHSZMWHSAV-UHFFFAOYSA-N 2 1 375.557 3.532 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000237101889 847328592 /nfs/dbraw/zinc/32/85/92/847328592.db2.gz KOEXPOOSJYBZOS-QZTJIDSGSA-N 2 1 381.520 3.658 20 0 GHADMP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000422246123 847489528 /nfs/dbraw/zinc/48/95/28/847489528.db2.gz RIANZDBHEGJKGP-DZVQBONVSA-N 2 1 386.584 3.726 20 0 GHADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000420946614 847568105 /nfs/dbraw/zinc/56/81/05/847568105.db2.gz BCSWQBFHYPBBJL-GOTSBHOMSA-N 2 1 399.966 3.707 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3OCC(F)(F)F)CC2)CC1 ZINC000420981778 847588401 /nfs/dbraw/zinc/58/84/01/847588401.db2.gz NWKXHZQDWULVDE-UHFFFAOYSA-N 2 1 399.501 3.620 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CC2)CC1 ZINC000420984055 847590708 /nfs/dbraw/zinc/59/07/08/847590708.db2.gz SAQQNWGMMSMYAG-UHFFFAOYSA-N 2 1 399.501 3.620 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(C)cc(C)c(C(C)=O)c3C)CC2)CC1 ZINC000421019324 847641053 /nfs/dbraw/zinc/64/10/53/847641053.db2.gz XSBFLAVTAXSMDH-UHFFFAOYSA-N 2 1 385.596 3.806 20 0 GHADMP Cc1cc(C)c(-c2csc(NC(=O)C[NH+]3CCC([C@H](C)[NH3+])CC3)n2)cc1C ZINC000582606627 847754842 /nfs/dbraw/zinc/75/48/42/847754842.db2.gz SPKUTGHGQNBOCQ-INIZCTEOSA-N 2 1 386.565 3.733 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cn2)CC1 ZINC000503597083 847821690 /nfs/dbraw/zinc/82/16/90/847821690.db2.gz FXPWWMYFZKIHOZ-UHFFFAOYSA-N 2 1 392.503 3.899 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[NH+](CC)CC)cc1 ZINC000431465496 847859238 /nfs/dbraw/zinc/85/92/38/847859238.db2.gz QMXIBGMPPWFRHJ-PGRDOPGGSA-N 2 1 386.584 3.582 20 0 GHADMP Brc1ccsc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422945989 847909617 /nfs/dbraw/zinc/90/96/17/847909617.db2.gz OBMYAJXRQVRDMF-YOEHRIQHSA-N 2 1 379.323 3.856 20 0 GHADMP Fc1ccc(Br)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422947069 847910703 /nfs/dbraw/zinc/91/07/03/847910703.db2.gz PSCRHCLLSVAGOG-HKUYNNGSSA-N 2 1 391.284 3.934 20 0 GHADMP COc1ccc2cc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)ccc2c1 ZINC000657595227 848288305 /nfs/dbraw/zinc/28/83/05/848288305.db2.gz NLCKEUDCSZIUCL-HSZRJFAPSA-N 2 1 376.500 3.705 20 0 GHADMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc2ccccc21 ZINC000657595254 848288341 /nfs/dbraw/zinc/28/83/41/848288341.db2.gz GBBDRMBHBNDCBC-QFIPXVFZSA-N 2 1 376.500 3.705 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cc2)C1 ZINC000657596219 848290286 /nfs/dbraw/zinc/29/02/86/848290286.db2.gz MNFQOBJXMJIYBA-FQEVSTJZSA-N 2 1 378.472 3.928 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cc2)C1 ZINC000657596219 848290296 /nfs/dbraw/zinc/29/02/96/848290296.db2.gz MNFQOBJXMJIYBA-FQEVSTJZSA-N 2 1 378.472 3.928 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657613896 848342655 /nfs/dbraw/zinc/34/26/55/848342655.db2.gz WDFVYTFSANLKOF-BWKNWUBXSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657613896 848342661 /nfs/dbraw/zinc/34/26/61/848342661.db2.gz WDFVYTFSANLKOF-BWKNWUBXSA-N 3 1 392.591 3.936 20 0 GHADMP CC(C)[C@@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164215 861912000 /nfs/dbraw/zinc/91/20/00/861912000.db2.gz BAOLKPAPHJQDIE-UYAOXDASSA-N 2 1 392.975 3.505 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657690597 848634587 /nfs/dbraw/zinc/63/45/87/848634587.db2.gz PLCDCBCEYOIBMP-RJGXRXQPSA-N 2 1 378.564 3.918 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657690597 848634588 /nfs/dbraw/zinc/63/45/88/848634588.db2.gz PLCDCBCEYOIBMP-RJGXRXQPSA-N 2 1 378.564 3.918 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000237958679 848857265 /nfs/dbraw/zinc/85/72/65/848857265.db2.gz FWXMVRPRHLXGFB-NRFANRHFSA-N 2 1 397.588 3.744 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000237958679 848857272 /nfs/dbraw/zinc/85/72/72/848857272.db2.gz FWXMVRPRHLXGFB-NRFANRHFSA-N 2 1 397.588 3.744 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000535942842 849181087 /nfs/dbraw/zinc/18/10/87/849181087.db2.gz JSTJMQBYPGAUES-LJQANCHMSA-N 2 1 382.401 3.571 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000535942842 849181092 /nfs/dbraw/zinc/18/10/92/849181092.db2.gz JSTJMQBYPGAUES-LJQANCHMSA-N 2 1 382.401 3.571 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2ccccc2)cc1OC ZINC000657752384 849631120 /nfs/dbraw/zinc/63/11/20/849631120.db2.gz ZHJCZDFTHNWVHP-OAQYLSRUSA-N 2 1 396.531 3.714 20 0 GHADMP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098940 849742957 /nfs/dbraw/zinc/74/29/57/849742957.db2.gz DLZGHAKLZCQMMI-OJFPFPAYSA-N 2 1 391.987 3.611 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853129 849756456 /nfs/dbraw/zinc/75/64/56/849756456.db2.gz RWLAUCLWYKYTIA-SUMWQHHRSA-N 2 1 382.346 3.663 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000080338974 849871686 /nfs/dbraw/zinc/87/16/86/849871686.db2.gz PUCPPWDTDGYBHF-NFBKMPQASA-N 2 1 379.548 3.666 20 0 GHADMP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)sc1Cl ZINC000423374623 849878125 /nfs/dbraw/zinc/87/81/25/849878125.db2.gz CMTPAUWUEMUXAH-SCZZXKLOSA-N 2 1 376.275 3.542 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000505580464 849935266 /nfs/dbraw/zinc/93/52/66/849935266.db2.gz GTTUQFJAASZABQ-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000505580464 849935269 /nfs/dbraw/zinc/93/52/69/849935269.db2.gz GTTUQFJAASZABQ-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000505580464 849935272 /nfs/dbraw/zinc/93/52/72/849935272.db2.gz GTTUQFJAASZABQ-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP Clc1cccc([C@@H](Cc2cccnc2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423501726 849945739 /nfs/dbraw/zinc/94/57/39/849945739.db2.gz BSQIGWCZEFXSHZ-XPPIMPSXSA-N 2 1 398.982 3.825 20 0 GHADMP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1Br ZINC000423504840 849946678 /nfs/dbraw/zinc/94/66/78/849946678.db2.gz HJQGALAYUVESAH-LADRWXRNSA-N 2 1 380.374 3.706 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C ZINC000544236064 849960083 /nfs/dbraw/zinc/96/00/83/849960083.db2.gz LXBNBGHXKUCGBC-QUCCMNQESA-N 2 1 388.600 3.976 20 0 GHADMP FC(F)(F)c1cccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)c1 ZINC000423523357 849967443 /nfs/dbraw/zinc/96/74/43/849967443.db2.gz VTGPVAIDFLWSSI-MHJFOBGBSA-N 2 1 381.486 3.963 20 0 GHADMP Cc1c([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnn1C(C)(C)C ZINC000423552503 849978997 /nfs/dbraw/zinc/97/89/97/849978997.db2.gz GLFDPPOLGJPOSU-GOSISDBHSA-N 2 1 383.584 3.591 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000504289998 849999542 /nfs/dbraw/zinc/99/95/42/849999542.db2.gz QCRVLIVEHGIXTN-SQGPQFPESA-N 2 1 392.975 3.649 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000423958322 850122034 /nfs/dbraw/zinc/12/20/34/850122034.db2.gz BAIGZCLBRBTRKF-BJKOFHAPSA-N 2 1 391.559 3.923 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](COC)C3)ccc2F)C1 ZINC000297409740 850194062 /nfs/dbraw/zinc/19/40/62/850194062.db2.gz GHBLMTCWZOFFOI-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCC[C@H](COC)C3)ccc2F)C1 ZINC000297409740 850194066 /nfs/dbraw/zinc/19/40/66/850194066.db2.gz GHBLMTCWZOFFOI-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@H]1CCC[N@H+](Cc2cc(C[NH+]3CCC[C@H](COC)C3)ccc2F)C1 ZINC000297409740 850194071 /nfs/dbraw/zinc/19/40/71/850194071.db2.gz GHBLMTCWZOFFOI-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000486886193 850217625 /nfs/dbraw/zinc/21/76/25/850217625.db2.gz XJNOBALMRRAKON-SFHVURJKSA-N 2 1 393.522 3.510 20 0 GHADMP Cc1ccc([C@@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+]2CCCC2)cc1 ZINC000481719480 862107891 /nfs/dbraw/zinc/10/78/91/862107891.db2.gz CLNADTVWVGVREA-XMMPIXPASA-N 2 1 378.564 3.781 20 0 GHADMP Clc1cc(I)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000424165010 850272100 /nfs/dbraw/zinc/27/21/00/850272100.db2.gz DAEZXQHSRGIAHP-CABCVRRESA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(I)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000424165010 850272109 /nfs/dbraw/zinc/27/21/09/850272109.db2.gz DAEZXQHSRGIAHP-CABCVRRESA-N 2 1 390.696 3.661 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000894288432 850293865 /nfs/dbraw/zinc/29/38/65/850293865.db2.gz USZBJNBOHWSIGC-WMZOPIPTSA-N 2 1 379.570 3.588 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000894288432 850293876 /nfs/dbraw/zinc/29/38/76/850293876.db2.gz USZBJNBOHWSIGC-WMZOPIPTSA-N 2 1 379.570 3.588 20 0 GHADMP FC(F)(F)C(F)(F)COCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000514831630 850362178 /nfs/dbraw/zinc/36/21/78/850362178.db2.gz PBLUQKMPEMEOLD-IAGOWNOFSA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000514831630 850362184 /nfs/dbraw/zinc/36/21/84/850362184.db2.gz PBLUQKMPEMEOLD-IAGOWNOFSA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000514831630 850362189 /nfs/dbraw/zinc/36/21/89/850362189.db2.gz PBLUQKMPEMEOLD-IAGOWNOFSA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000514831630 850362193 /nfs/dbraw/zinc/36/21/93/850362193.db2.gz PBLUQKMPEMEOLD-IAGOWNOFSA-N 2 1 392.412 3.655 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cnn(Cc3ccc(C(F)(F)F)cc3)c1)CC[NH2+]CC2 ZINC000424387593 850425324 /nfs/dbraw/zinc/42/53/24/850425324.db2.gz YPEHPPHNNRXRRO-INIZCTEOSA-N 2 1 392.469 3.914 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3cccc(Br)c3)c[nH]1)CC[NH2+]CC2 ZINC000424387986 850426718 /nfs/dbraw/zinc/42/67/18/850426718.db2.gz YTMSQJVKRTYBNV-CQSZACIVSA-N 2 1 389.341 3.803 20 0 GHADMP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000415005068 850463037 /nfs/dbraw/zinc/46/30/37/850463037.db2.gz ORWPSDWDSOTIHM-PKOBYXMFSA-N 2 1 390.886 3.749 20 0 GHADMP c1csc(C[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435429544 850513332 /nfs/dbraw/zinc/51/33/32/850513332.db2.gz XQNLQHKBHPDELN-QGZVFWFLSA-N 2 1 385.562 3.535 20 0 GHADMP c1csc(C[N@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435429544 850513346 /nfs/dbraw/zinc/51/33/46/850513346.db2.gz XQNLQHKBHPDELN-QGZVFWFLSA-N 2 1 385.562 3.535 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000519081386 850605327 /nfs/dbraw/zinc/60/53/27/850605327.db2.gz YLDWSBFNBIFUGT-HSZRJFAPSA-N 2 1 379.548 3.906 20 0 GHADMP O=C(CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1ccccc1Cl ZINC000435624155 850721328 /nfs/dbraw/zinc/72/13/28/850721328.db2.gz DUYCXMUJHNTQSV-SFHVURJKSA-N 2 1 386.927 3.708 20 0 GHADMP O=C(CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1ccccc1Cl ZINC000435624155 850721333 /nfs/dbraw/zinc/72/13/33/850721333.db2.gz DUYCXMUJHNTQSV-SFHVURJKSA-N 2 1 386.927 3.708 20 0 GHADMP CC[N@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435630097 850725744 /nfs/dbraw/zinc/72/57/44/850725744.db2.gz ZKCVYXXRHYNCHE-RBBKRZOGSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435630097 850725748 /nfs/dbraw/zinc/72/57/48/850725748.db2.gz ZKCVYXXRHYNCHE-RBBKRZOGSA-N 2 1 387.568 3.603 20 0 GHADMP Cc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(C)c1OCc1ccccn1 ZINC000668784153 850746351 /nfs/dbraw/zinc/74/63/51/850746351.db2.gz BKTGOFDHQVZYDI-QHCPKHFHSA-N 2 1 397.563 3.820 20 0 GHADMP Cc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(C)c1OCc1ccccn1 ZINC000668784153 850746362 /nfs/dbraw/zinc/74/63/62/850746362.db2.gz BKTGOFDHQVZYDI-QHCPKHFHSA-N 2 1 397.563 3.820 20 0 GHADMP Cc1ncsc1C[N@H+](CCCc1nc(-c2ccccc2)no1)C[C@H]1CC[NH2+]C1 ZINC000435736958 850823407 /nfs/dbraw/zinc/82/34/07/850823407.db2.gz ZTAMBHVIOAYNPN-KRWDZBQOSA-N 2 1 397.548 3.546 20 0 GHADMP Cc1ncsc1C[N@@H+](CCCc1nc(-c2ccccc2)no1)C[C@H]1CC[NH2+]C1 ZINC000435736958 850823410 /nfs/dbraw/zinc/82/34/10/850823410.db2.gz ZTAMBHVIOAYNPN-KRWDZBQOSA-N 2 1 397.548 3.546 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000505338317 850833036 /nfs/dbraw/zinc/83/30/36/850833036.db2.gz OLHWSVUFPRNPOL-HXUWFJFHSA-N 2 1 387.474 3.844 20 0 GHADMP OC1CC[NH+](CCC[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000128595335 862189234 /nfs/dbraw/zinc/18/92/34/862189234.db2.gz SBDFDCGLRBTTQK-UHFFFAOYSA-N 2 1 388.939 3.855 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506797245 850964608 /nfs/dbraw/zinc/96/46/08/850964608.db2.gz OOXKDWAVWKCWOT-CGXNFDGLSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000506797245 850964617 /nfs/dbraw/zinc/96/46/17/850964617.db2.gz OOXKDWAVWKCWOT-CGXNFDGLSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000506797245 850964624 /nfs/dbraw/zinc/96/46/24/850964624.db2.gz OOXKDWAVWKCWOT-CGXNFDGLSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000506797243 850964875 /nfs/dbraw/zinc/96/48/75/850964875.db2.gz OOXKDWAVWKCWOT-ANULTFPQSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000487927963 850997111 /nfs/dbraw/zinc/99/71/11/850997111.db2.gz GVXIKQUJUYDSAE-HSZRJFAPSA-N 2 1 386.584 3.603 20 0 GHADMP Fc1cccc(Br)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180526186 862206845 /nfs/dbraw/zinc/20/68/45/862206845.db2.gz SUWCBRYQQWMGHK-UHFFFAOYSA-N 2 1 385.321 3.665 20 0 GHADMP C[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCCCC1 ZINC000514015204 851122254 /nfs/dbraw/zinc/12/22/54/851122254.db2.gz HUWZKMNEZNJWTC-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514025998 851161152 /nfs/dbraw/zinc/16/11/52/851161152.db2.gz BOKXZZIPOKBDCP-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP Brc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)s1 ZINC000415040947 851163548 /nfs/dbraw/zinc/16/35/48/851163548.db2.gz OVDFOGLZZMZAEF-CYBMUJFWSA-N 2 1 381.339 3.646 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000180548000 862217609 /nfs/dbraw/zinc/21/76/09/862217609.db2.gz VROVTMXBVSQMAH-UHFFFAOYSA-N 2 1 384.568 3.658 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000514236852 851442799 /nfs/dbraw/zinc/44/27/99/851442799.db2.gz ZGYVTYQSOHYMLB-SJBKTWHCSA-N 2 1 386.584 3.694 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412713 851581988 /nfs/dbraw/zinc/58/19/88/851581988.db2.gz NFVLNJSZNPOJFS-DLBZAZTESA-N 2 1 379.495 3.880 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412713 851581989 /nfs/dbraw/zinc/58/19/89/851581989.db2.gz NFVLNJSZNPOJFS-DLBZAZTESA-N 2 1 379.495 3.880 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412713 851581998 /nfs/dbraw/zinc/58/19/98/851581998.db2.gz NFVLNJSZNPOJFS-DLBZAZTESA-N 2 1 379.495 3.880 20 0 GHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1cc(F)cc(F)c1 ZINC000434742010 851609107 /nfs/dbraw/zinc/60/91/07/851609107.db2.gz LIXOKMKAOPTNNZ-UHFFFAOYSA-N 2 1 388.462 3.706 20 0 GHADMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000488563882 851621978 /nfs/dbraw/zinc/62/19/78/851621978.db2.gz QAWWHHADIOFVSY-BJKOFHAPSA-N 2 1 391.559 3.503 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC2(C1)CCCCC2 ZINC000303842472 851720607 /nfs/dbraw/zinc/72/06/07/851720607.db2.gz BVVWQWXHSBKPDI-FQEVSTJZSA-N 2 1 383.580 3.812 20 0 GHADMP Cn1cncc1CCC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837534 851851396 /nfs/dbraw/zinc/85/13/96/851851396.db2.gz OQSIRDMDDLIWQW-QHCPKHFHSA-N 2 1 380.580 3.975 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837534 851851405 /nfs/dbraw/zinc/85/14/05/851851405.db2.gz OQSIRDMDDLIWQW-QHCPKHFHSA-N 3 1 380.580 3.975 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837534 851851413 /nfs/dbraw/zinc/85/14/13/851851413.db2.gz OQSIRDMDDLIWQW-QHCPKHFHSA-N 3 1 380.580 3.975 20 0 GHADMP COc1coc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000664835906 851860833 /nfs/dbraw/zinc/86/08/33/851860833.db2.gz HIUWHNJCDUJTET-QHCPKHFHSA-N 2 1 396.531 3.771 20 0 GHADMP COc1coc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000664835906 851860838 /nfs/dbraw/zinc/86/08/38/851860838.db2.gz HIUWHNJCDUJTET-QHCPKHFHSA-N 2 1 396.531 3.771 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1 ZINC000180721644 862297312 /nfs/dbraw/zinc/29/73/12/862297312.db2.gz DCFQWSPJTWKLFK-INIZCTEOSA-N 2 1 380.467 3.791 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)c2)cc1 ZINC000180732315 862302659 /nfs/dbraw/zinc/30/26/59/862302659.db2.gz OVQBVVAGNTWJKK-OFNKIYASSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000180732315 862302674 /nfs/dbraw/zinc/30/26/74/862302674.db2.gz OVQBVVAGNTWJKK-OFNKIYASSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2)cc1 ZINC000180732315 862302691 /nfs/dbraw/zinc/30/26/91/862302691.db2.gz OVQBVVAGNTWJKK-OFNKIYASSA-N 2 1 393.531 3.864 20 0 GHADMP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981666 852016786 /nfs/dbraw/zinc/01/67/86/852016786.db2.gz DKQPNDFQVLJCIB-SEBOWIOWSA-N 2 1 379.589 3.921 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000517543231 852073492 /nfs/dbraw/zinc/07/34/92/852073492.db2.gz NXEKXIWOSCARGC-WOJBJXKFSA-N 2 1 394.648 3.896 20 0 GHADMP CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000516032762 852089881 /nfs/dbraw/zinc/08/98/81/852089881.db2.gz COMFCFAELOCGDY-BKKLHLQPSA-N 2 1 383.580 3.714 20 0 GHADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)ccc2n1 ZINC000438188346 852118656 /nfs/dbraw/zinc/11/86/56/852118656.db2.gz IRNUNLSPPZZGDI-DHIUTWEWSA-N 2 1 375.516 3.516 20 0 GHADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)ccc2n1 ZINC000438188346 852118665 /nfs/dbraw/zinc/11/86/65/852118665.db2.gz IRNUNLSPPZZGDI-DHIUTWEWSA-N 2 1 375.516 3.516 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000517702654 852289921 /nfs/dbraw/zinc/28/99/21/852289921.db2.gz IMPVFQZVSWGQPS-UGKGYDQZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000517702654 852289936 /nfs/dbraw/zinc/28/99/36/852289936.db2.gz IMPVFQZVSWGQPS-UGKGYDQZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000517702654 852289944 /nfs/dbraw/zinc/28/99/44/852289944.db2.gz IMPVFQZVSWGQPS-UGKGYDQZSA-N 2 1 386.584 3.735 20 0 GHADMP FC(F)(F)c1cc(Br)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000517741520 852331342 /nfs/dbraw/zinc/33/13/42/852331342.db2.gz ABHPTGPEAHODTR-TXEJJXNPSA-N 2 1 377.248 3.899 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000506921254 852337797 /nfs/dbraw/zinc/33/77/97/852337797.db2.gz HRZPDOOCGFEZPL-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000506921254 852337809 /nfs/dbraw/zinc/33/78/09/852337809.db2.gz HRZPDOOCGFEZPL-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000506921254 852337817 /nfs/dbraw/zinc/33/78/17/852337817.db2.gz HRZPDOOCGFEZPL-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000517783486 852386067 /nfs/dbraw/zinc/38/60/67/852386067.db2.gz RMJBAZWHGOGATR-ROUUACIJSA-N 2 1 380.960 3.739 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000489903887 852635901 /nfs/dbraw/zinc/63/59/01/852635901.db2.gz HTBVQCVPAHXPMJ-DEOSSOPVSA-N 2 1 393.575 3.847 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000489903887 852635909 /nfs/dbraw/zinc/63/59/09/852635909.db2.gz HTBVQCVPAHXPMJ-DEOSSOPVSA-N 2 1 393.575 3.847 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000489903887 852635916 /nfs/dbraw/zinc/63/59/16/852635916.db2.gz HTBVQCVPAHXPMJ-DEOSSOPVSA-N 2 1 393.575 3.847 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000489903887 852635924 /nfs/dbraw/zinc/63/59/24/852635924.db2.gz HTBVQCVPAHXPMJ-DEOSSOPVSA-N 2 1 393.575 3.847 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000489982452 852706161 /nfs/dbraw/zinc/70/61/61/852706161.db2.gz PYGQITAYJGOPCX-XZOQPEGZSA-N 2 1 379.548 3.941 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000489982452 852706166 /nfs/dbraw/zinc/70/61/66/852706166.db2.gz PYGQITAYJGOPCX-XZOQPEGZSA-N 2 1 379.548 3.941 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000604643778 862391672 /nfs/dbraw/zinc/39/16/72/862391672.db2.gz APYAXHHOTAPSMI-UTKZUKDTSA-N 2 1 398.526 3.522 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC[NH2+]1 ZINC000414944913 852780495 /nfs/dbraw/zinc/78/04/95/852780495.db2.gz HPTPWOMANWZQIY-PBHICJAKSA-N 2 1 390.325 3.653 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000518168232 853007049 /nfs/dbraw/zinc/00/70/49/853007049.db2.gz AIEKTCDCCJFJGT-JKSUJKDBSA-N 2 1 389.367 3.835 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnnn3Cc3ccccc3)cc2)C1 ZINC000490555769 853089714 /nfs/dbraw/zinc/08/97/14/853089714.db2.gz MYWVBYTZPPIPID-HXUWFJFHSA-N 2 1 389.547 3.848 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000506441057 853093508 /nfs/dbraw/zinc/09/35/08/853093508.db2.gz PWNHNFRYVKWNPZ-OALUTQOASA-N 2 1 389.609 3.609 20 0 GHADMP CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000506064330 853227371 /nfs/dbraw/zinc/22/73/71/853227371.db2.gz RKYZQWQSWVJRAP-UHFFFAOYSA-N 2 1 397.563 3.868 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490797990 853269990 /nfs/dbraw/zinc/26/99/90/853269990.db2.gz PDFUTNIUSMOYMY-BVSLBCMMSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797990 853269999 /nfs/dbraw/zinc/26/99/99/853269999.db2.gz PDFUTNIUSMOYMY-BVSLBCMMSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797990 853270007 /nfs/dbraw/zinc/27/00/07/853270007.db2.gz PDFUTNIUSMOYMY-BVSLBCMMSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490798001 853270022 /nfs/dbraw/zinc/27/00/22/853270022.db2.gz PDFUTNIUSMOYMY-NNWRFLSQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490798001 853270031 /nfs/dbraw/zinc/27/00/31/853270031.db2.gz PDFUTNIUSMOYMY-NNWRFLSQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490798001 853270039 /nfs/dbraw/zinc/27/00/39/853270039.db2.gz PDFUTNIUSMOYMY-NNWRFLSQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000518407006 853308812 /nfs/dbraw/zinc/30/88/12/853308812.db2.gz UVCFPQYVJFCGIS-YHYVQYDKSA-N 2 1 398.526 3.563 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437632412 853340570 /nfs/dbraw/zinc/34/05/70/853340570.db2.gz GQLWEIFGQIRAAN-CTNGQTDRSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437632412 853340579 /nfs/dbraw/zinc/34/05/79/853340579.db2.gz GQLWEIFGQIRAAN-CTNGQTDRSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437632412 853340587 /nfs/dbraw/zinc/34/05/87/853340587.db2.gz GQLWEIFGQIRAAN-CTNGQTDRSA-N 2 1 378.605 3.737 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000440543148 853342516 /nfs/dbraw/zinc/34/25/16/853342516.db2.gz AAPVNVOGCXPJKO-XZOQPEGZSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000519701118 853384941 /nfs/dbraw/zinc/38/49/41/853384941.db2.gz CXFQGXNEVXVBDR-LBPRGKRZSA-N 2 1 390.285 3.516 20 0 GHADMP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055697 853429206 /nfs/dbraw/zinc/42/92/06/853429206.db2.gz ANFNGHSHDUJAJA-RBUKOAKNSA-N 2 1 380.960 3.668 20 0 GHADMP O[C@@H](COc1ccccc1Cl)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055697 853429212 /nfs/dbraw/zinc/42/92/12/853429212.db2.gz ANFNGHSHDUJAJA-RBUKOAKNSA-N 2 1 380.960 3.668 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000518518581 853463124 /nfs/dbraw/zinc/46/31/24/853463124.db2.gz CCDUTCKDXVVYOO-HMXCVIKNSA-N 2 1 393.531 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000518518581 853463129 /nfs/dbraw/zinc/46/31/29/853463129.db2.gz CCDUTCKDXVVYOO-HMXCVIKNSA-N 2 1 393.531 3.550 20 0 GHADMP CCC1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000519757212 853467672 /nfs/dbraw/zinc/46/76/72/853467672.db2.gz HHXIBQPBZWHXBM-OAQYLSRUSA-N 2 1 394.563 3.563 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)c4c3cccc4F)CC2)CC1 ZINC000518560316 853506158 /nfs/dbraw/zinc/50/61/58/853506158.db2.gz YHGFUGRFOBUGIQ-UHFFFAOYSA-N 2 1 399.554 3.790 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962322 853619838 /nfs/dbraw/zinc/61/98/38/853619838.db2.gz WRDKMXCVKNLYHR-ZUYMVEIJSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)c(F)c2)no1 ZINC001212145030 853657442 /nfs/dbraw/zinc/65/74/42/853657442.db2.gz KEPBCMONLMMFLZ-ZDUSSCGKSA-N 2 1 390.381 3.942 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000517324939 853660495 /nfs/dbraw/zinc/66/04/95/853660495.db2.gz BWZJEZHKUWKVIM-DEOSSOPVSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCc3ccccc32)CC1 ZINC000517324939 853660502 /nfs/dbraw/zinc/66/05/02/853660502.db2.gz BWZJEZHKUWKVIM-DEOSSOPVSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCc3ccccc32)CC1 ZINC000517324939 853660508 /nfs/dbraw/zinc/66/05/08/853660508.db2.gz BWZJEZHKUWKVIM-DEOSSOPVSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)C2 ZINC000571376238 853857584 /nfs/dbraw/zinc/85/75/84/853857584.db2.gz XMZBPNOCYWYLHL-ZQRMPTRQSA-N 2 1 376.548 3.675 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000481912780 862510647 /nfs/dbraw/zinc/51/06/47/862510647.db2.gz BMGPNUAMHKJOLT-XMMPIXPASA-N 2 1 378.564 3.850 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2)C1CCCC1 ZINC001168379461 853944863 /nfs/dbraw/zinc/94/48/63/853944863.db2.gz KIGJPGSAYYGETK-XZOQPEGZSA-N 2 1 376.585 3.691 20 0 GHADMP Brc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441419419 854282593 /nfs/dbraw/zinc/28/25/93/854282593.db2.gz XBVNOVWHXNZNEJ-KXBFYZLASA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441419419 854282600 /nfs/dbraw/zinc/28/26/00/854282600.db2.gz XBVNOVWHXNZNEJ-KXBFYZLASA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441419419 854282608 /nfs/dbraw/zinc/28/26/08/854282608.db2.gz XBVNOVWHXNZNEJ-KXBFYZLASA-N 2 1 379.342 3.777 20 0 GHADMP O=C1Nc2c(cccc2F)C12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167991817 854293624 /nfs/dbraw/zinc/29/36/24/854293624.db2.gz FEDXQXSHDVOHEQ-JWTNVVGKSA-N 2 1 383.511 3.517 20 0 GHADMP C[C@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000572119226 854399817 /nfs/dbraw/zinc/39/98/17/854399817.db2.gz POIYPVZRHXVMHX-IRLDBZIGSA-N 2 1 383.580 3.527 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000572480988 854517913 /nfs/dbraw/zinc/51/79/13/854517913.db2.gz JRKASORPFWLCHG-DNQXCXABSA-N 2 1 391.559 3.780 20 0 GHADMP CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000572464941 854535659 /nfs/dbraw/zinc/53/56/59/854535659.db2.gz SDUZMBRHJBMOJK-OAQYLSRUSA-N 2 1 394.494 3.847 20 0 GHADMP CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000572464941 854535663 /nfs/dbraw/zinc/53/56/63/854535663.db2.gz SDUZMBRHJBMOJK-OAQYLSRUSA-N 2 1 394.494 3.847 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(c2c(C(=O)OCC)cnc3ccc(OC)cc32)C1 ZINC000482001408 862596211 /nfs/dbraw/zinc/59/62/11/862596211.db2.gz WNMDNJLFVPVBQR-INIZCTEOSA-N 2 1 385.508 3.588 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168389056 854805138 /nfs/dbraw/zinc/80/51/38/854805138.db2.gz IZEROGJHHCJUEB-HSZRJFAPSA-N 2 1 385.596 3.856 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000126371425 854862442 /nfs/dbraw/zinc/86/24/42/854862442.db2.gz WVCBPQKHIXDFNS-OXQOHEQNSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000655153586 855120516 /nfs/dbraw/zinc/12/05/16/855120516.db2.gz UHIJBIVXMABVBO-GOSISDBHSA-N 2 1 392.503 3.518 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647987781 855474912 /nfs/dbraw/zinc/47/49/12/855474912.db2.gz ZLHHIIBDTMPLAB-CHWSQXEVSA-N 2 1 389.849 3.619 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647987781 855474918 /nfs/dbraw/zinc/47/49/18/855474918.db2.gz ZLHHIIBDTMPLAB-CHWSQXEVSA-N 2 1 389.849 3.619 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000590787311 855585877 /nfs/dbraw/zinc/58/58/77/855585877.db2.gz ZKIWQIQYXGHUKF-FQEVSTJZSA-N 2 1 385.596 3.866 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002835 855631225 /nfs/dbraw/zinc/63/12/25/855631225.db2.gz ZQYGORCQJCWVIP-QRTFOUQQSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002835 855631227 /nfs/dbraw/zinc/63/12/27/855631227.db2.gz ZQYGORCQJCWVIP-QRTFOUQQSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002835 855631230 /nfs/dbraw/zinc/63/12/30/855631230.db2.gz ZQYGORCQJCWVIP-QRTFOUQQSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002835 855631231 /nfs/dbraw/zinc/63/12/31/855631231.db2.gz ZQYGORCQJCWVIP-QRTFOUQQSA-N 2 1 377.573 3.769 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([NH+]3CCC4(CCn5c(C)c[nH+]c54)CC3)CCO2)cc1 ZINC001168643203 855647387 /nfs/dbraw/zinc/64/73/87/855647387.db2.gz CZHUHIJMJSYGDM-PZJWPPBQSA-N 2 1 381.520 3.858 20 0 GHADMP C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001168003247 855659120 /nfs/dbraw/zinc/65/91/20/855659120.db2.gz LRLSWROGTZZPOV-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001168003247 855659123 /nfs/dbraw/zinc/65/91/23/855659123.db2.gz LRLSWROGTZZPOV-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001168003247 855659125 /nfs/dbraw/zinc/65/91/25/855659125.db2.gz LRLSWROGTZZPOV-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001168003247 855659128 /nfs/dbraw/zinc/65/91/28/855659128.db2.gz LRLSWROGTZZPOV-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001168003247 855659132 /nfs/dbraw/zinc/65/91/32/855659132.db2.gz LRLSWROGTZZPOV-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(Br)c2)[C@H](C)C1 ZINC000573103960 855867668 /nfs/dbraw/zinc/86/76/68/855867668.db2.gz HTVZYPBYXYBBEQ-VKJFTORMSA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(Br)c2)[C@H](C)C1 ZINC000573103960 855867673 /nfs/dbraw/zinc/86/76/73/855867673.db2.gz HTVZYPBYXYBBEQ-VKJFTORMSA-N 2 1 384.362 3.632 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000591371660 855954046 /nfs/dbraw/zinc/95/40/46/855954046.db2.gz ISWJWQQRNQIRLQ-UHFFFAOYSA-N 2 1 383.536 3.858 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)o1 ZINC000591371660 855954051 /nfs/dbraw/zinc/95/40/51/855954051.db2.gz ISWJWQQRNQIRLQ-UHFFFAOYSA-N 2 1 383.536 3.858 20 0 GHADMP CC(C)[C@]1(CO)CCC[NH+](CCCCC[N@@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000550433592 856086737 /nfs/dbraw/zinc/08/67/37/856086737.db2.gz MLQFXPREBBEBPJ-DHIUTWEWSA-N 2 1 382.633 3.618 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CC([NH+]4CCCCC4)C3)cc2)C1 ZINC000474009055 856109364 /nfs/dbraw/zinc/10/93/64/856109364.db2.gz HMOBPDYWJMTWNN-BVVFMGSASA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000459131576 856111841 /nfs/dbraw/zinc/11/18/41/856111841.db2.gz BAHPUALSJJMDEM-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000459131576 856111844 /nfs/dbraw/zinc/11/18/44/856111844.db2.gz BAHPUALSJJMDEM-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000459131576 856111849 /nfs/dbraw/zinc/11/18/49/856111849.db2.gz BAHPUALSJJMDEM-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536461446 856147935 /nfs/dbraw/zinc/14/79/35/856147935.db2.gz ZYEYMHHSYYLTFX-LPHOPBHVSA-N 2 1 398.954 3.503 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536461446 856147937 /nfs/dbraw/zinc/14/79/37/856147937.db2.gz ZYEYMHHSYYLTFX-LPHOPBHVSA-N 2 1 398.954 3.503 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536461446 856147939 /nfs/dbraw/zinc/14/79/39/856147939.db2.gz ZYEYMHHSYYLTFX-LPHOPBHVSA-N 2 1 398.954 3.503 20 0 GHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc21 ZINC000303851587 856183071 /nfs/dbraw/zinc/18/30/71/856183071.db2.gz RTOQYIHSJLMZQF-JOCHJYFZSA-N 2 1 390.531 3.806 20 0 GHADMP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459170846 856205342 /nfs/dbraw/zinc/20/53/42/856205342.db2.gz XDNYXQSTGGEKCG-SIKLNZKXSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000459170846 856205350 /nfs/dbraw/zinc/20/53/50/856205350.db2.gz XDNYXQSTGGEKCG-SIKLNZKXSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000459170846 856205355 /nfs/dbraw/zinc/20/53/55/856205355.db2.gz XDNYXQSTGGEKCG-SIKLNZKXSA-N 2 1 386.584 3.728 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000060367683 856282104 /nfs/dbraw/zinc/28/21/04/856282104.db2.gz YRZQTTOGMTUPJQ-AZUAARDMSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000060367683 856282119 /nfs/dbraw/zinc/28/21/19/856282119.db2.gz YRZQTTOGMTUPJQ-AZUAARDMSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000060367683 856282128 /nfs/dbraw/zinc/28/21/28/856282128.db2.gz YRZQTTOGMTUPJQ-AZUAARDMSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000448705883 862781432 /nfs/dbraw/zinc/78/14/32/862781432.db2.gz WCMWPHFYFJOWOF-GOSISDBHSA-N 2 1 389.503 3.572 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000448705883 862781440 /nfs/dbraw/zinc/78/14/40/862781440.db2.gz WCMWPHFYFJOWOF-GOSISDBHSA-N 2 1 389.503 3.572 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168573609 856368646 /nfs/dbraw/zinc/36/86/46/856368646.db2.gz RJWNHOWKDAHIPA-HUUCEWRRSA-N 2 1 381.483 3.590 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000573652518 856373200 /nfs/dbraw/zinc/37/32/00/856373200.db2.gz XTDVDWUUHBOOJK-UHFFFAOYSA-N 2 1 386.565 3.721 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172537469 856471672 /nfs/dbraw/zinc/47/16/72/856471672.db2.gz YDUTUQGTTABUKH-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000573818459 856502270 /nfs/dbraw/zinc/50/22/70/856502270.db2.gz ZMYDPKRXCCRWLN-RPWUZVMVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000573818459 856502279 /nfs/dbraw/zinc/50/22/79/856502279.db2.gz ZMYDPKRXCCRWLN-RPWUZVMVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000573818459 856502284 /nfs/dbraw/zinc/50/22/84/856502284.db2.gz ZMYDPKRXCCRWLN-RPWUZVMVSA-N 2 1 382.523 3.717 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000485462433 856602733 /nfs/dbraw/zinc/60/27/33/856602733.db2.gz DINLWVKXSNOJBQ-HSZRJFAPSA-N 2 1 394.559 3.723 20 0 GHADMP COc1ccc2nc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)sc2c1 ZINC000474020173 856606427 /nfs/dbraw/zinc/60/64/27/856606427.db2.gz XCBVMLVDLLDMPB-GOSISDBHSA-N 2 1 397.544 3.551 20 0 GHADMP COc1ccc2nc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)sc2c1 ZINC000474020173 856606433 /nfs/dbraw/zinc/60/64/33/856606433.db2.gz XCBVMLVDLLDMPB-GOSISDBHSA-N 2 1 397.544 3.551 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)C2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000674697431 856714213 /nfs/dbraw/zinc/71/42/13/856714213.db2.gz QHPNHKVLKJUPER-JOCHJYFZSA-N 2 1 387.568 3.603 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000766071218 856807838 /nfs/dbraw/zinc/80/78/38/856807838.db2.gz XNYANUIZPWMUJK-UHFFFAOYSA-N 2 1 381.549 3.808 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2ccc(-c3nccs3)n2)CC1 ZINC000766071218 856807848 /nfs/dbraw/zinc/80/78/48/856807848.db2.gz XNYANUIZPWMUJK-UHFFFAOYSA-N 2 1 381.549 3.808 20 0 GHADMP COc1cc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc(OC)c1 ZINC000508054386 856839072 /nfs/dbraw/zinc/83/90/72/856839072.db2.gz NPRJQKSMYSHYEF-UHFFFAOYSA-N 2 1 397.563 3.866 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000592492328 856899052 /nfs/dbraw/zinc/89/90/52/856899052.db2.gz YMTQNGZNWOMJSU-OALUTQOASA-N 2 1 399.560 3.808 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000485692795 856933088 /nfs/dbraw/zinc/93/30/88/856933088.db2.gz HXSQUZDCYOYRAK-UHFFFAOYSA-N 2 1 375.919 3.906 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745339 857047985 /nfs/dbraw/zinc/04/79/85/857047985.db2.gz AJMVLGONQBNARV-HSZRJFAPSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428147694 857152879 /nfs/dbraw/zinc/15/28/79/857152879.db2.gz UAOXQYGVBGJSJO-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP COc1ccccc1-c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000174351693 857263353 /nfs/dbraw/zinc/26/33/53/857263353.db2.gz VYKNKBDDVGVUHG-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C/c2ccccc2OC)CC1 ZINC000520950804 857427991 /nfs/dbraw/zinc/42/79/91/857427991.db2.gz HLHDFUYJHOMHRZ-XYOKQWHBSA-N 2 1 379.548 3.636 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000061071342 857497021 /nfs/dbraw/zinc/49/70/21/857497021.db2.gz HWUOGQHFRKLSAH-WIYYLYMNSA-N 2 1 398.551 3.614 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000061071342 857497029 /nfs/dbraw/zinc/49/70/29/857497029.db2.gz HWUOGQHFRKLSAH-WIYYLYMNSA-N 2 1 398.551 3.614 20 0 GHADMP C(=C\C[N@H+]1CC[C@H](Nc2ccccc2)C1)\C[NH+]1CC[C@H](Nc2ccccc2)C1 ZINC000255215333 857598476 /nfs/dbraw/zinc/59/84/76/857598476.db2.gz MAXZKEJYTPMFJS-FCPCQKOLSA-N 2 1 376.548 3.915 20 0 GHADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574335719 857709490 /nfs/dbraw/zinc/70/94/90/857709490.db2.gz CAEBTXRHMWNDQI-WMQCIHAUSA-N 2 1 388.502 3.616 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671741675 857748424 /nfs/dbraw/zinc/74/84/24/857748424.db2.gz UCEDXMODJJTYTA-KRWDZBQOSA-N 2 1 394.519 3.522 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000671744450 857764901 /nfs/dbraw/zinc/76/49/01/857764901.db2.gz IQAIZNRIHQVAMP-MJGOQNOKSA-N 2 1 379.504 3.580 20 0 GHADMP CC[N@@H+](CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C(C)C ZINC000521238973 857781231 /nfs/dbraw/zinc/78/12/31/857781231.db2.gz WFEZSKGYWMNKMK-UHFFFAOYSA-N 2 1 394.991 3.582 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000521330831 857891443 /nfs/dbraw/zinc/89/14/43/857891443.db2.gz HGFSSULSIRYKLE-UHFFFAOYSA-N 2 1 383.254 3.532 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000486581253 857894461 /nfs/dbraw/zinc/89/44/61/857894461.db2.gz MECUITYREWSEQX-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP CC(C)C[N@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000065960957 857898857 /nfs/dbraw/zinc/89/88/57/857898857.db2.gz JZOLYIBZRHUBAG-UHFFFAOYSA-N 2 1 379.548 3.508 20 0 GHADMP CC(C)C[N@@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000065960957 857898861 /nfs/dbraw/zinc/89/88/61/857898861.db2.gz JZOLYIBZRHUBAG-UHFFFAOYSA-N 2 1 379.548 3.508 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676469519 857904714 /nfs/dbraw/zinc/90/47/14/857904714.db2.gz JLAIZTTZKQYXTP-MOJGAOKDSA-N 2 1 375.520 3.514 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676469519 857904720 /nfs/dbraw/zinc/90/47/20/857904720.db2.gz JLAIZTTZKQYXTP-MOJGAOKDSA-N 2 1 375.520 3.514 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000594095273 857933481 /nfs/dbraw/zinc/93/34/81/857933481.db2.gz SYJPZBRGKGPAHT-OFNKIYASSA-N 2 1 398.595 3.688 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@H]1C ZINC000442613654 857981070 /nfs/dbraw/zinc/98/10/70/857981070.db2.gz XAIDHTJUWXFDIF-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442778702 858118702 /nfs/dbraw/zinc/11/87/02/858118702.db2.gz HLVSKPZBYFDEJC-UYAOXDASSA-N 2 1 383.502 3.959 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000574689694 858163387 /nfs/dbraw/zinc/16/33/87/858163387.db2.gz PMSIPQDNYJHPHL-WMTXJRDZSA-N 2 1 393.531 3.569 20 0 GHADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000574692968 858165031 /nfs/dbraw/zinc/16/50/31/858165031.db2.gz HFSQMRSVECEHHE-DENIHFKCSA-N 2 1 392.547 3.578 20 0 GHADMP CCSc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000574702126 858169152 /nfs/dbraw/zinc/16/91/52/858169152.db2.gz SWDKTEYHNYTSIV-UHFFFAOYSA-N 2 1 375.582 3.933 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cnn1-c1cccc(Cl)c1 ZINC000442874870 858190772 /nfs/dbraw/zinc/19/07/72/858190772.db2.gz RIOLVURFUWMPHN-INIZCTEOSA-N 2 1 389.975 3.511 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1(C)C ZINC000442878036 858198656 /nfs/dbraw/zinc/19/86/56/858198656.db2.gz SCMSXSJGMPCPLY-INIZCTEOSA-N 2 1 398.414 3.602 20 0 GHADMP C[C@@H](CSCCF)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000595038215 858375848 /nfs/dbraw/zinc/37/58/48/858375848.db2.gz LDPQOJSUMWRWHR-AZUAARDMSA-N 2 1 380.573 3.596 20 0 GHADMP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443295505 858542565 /nfs/dbraw/zinc/54/25/65/858542565.db2.gz NUAGGXXAXUNLOO-JBRSBNLGSA-N 2 1 395.591 3.623 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cccc(C[NH+](C)CC)c2)CC1 ZINC000522044122 858566417 /nfs/dbraw/zinc/56/64/17/858566417.db2.gz RZKCXKMVAKZDIQ-UHFFFAOYSA-N 2 1 388.600 3.792 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000522044122 858566421 /nfs/dbraw/zinc/56/64/21/858566421.db2.gz RZKCXKMVAKZDIQ-UHFFFAOYSA-N 2 1 388.600 3.792 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000522044122 858566427 /nfs/dbraw/zinc/56/64/27/858566427.db2.gz RZKCXKMVAKZDIQ-UHFFFAOYSA-N 2 1 388.600 3.792 20 0 GHADMP CC1(C)CC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000067569855 858620637 /nfs/dbraw/zinc/62/06/37/858620637.db2.gz ZLHJVPHJVBVCSG-IBGZPJMESA-N 2 1 386.584 3.507 20 0 GHADMP COCCOc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC001168019180 858763597 /nfs/dbraw/zinc/76/35/97/858763597.db2.gz HHINKTLFJQNBQP-OALUTQOASA-N 2 1 383.536 3.638 20 0 GHADMP CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183681462 858794985 /nfs/dbraw/zinc/79/49/85/858794985.db2.gz CKQNJPLNCXSZLA-UWJYYQICSA-N 2 1 395.503 3.670 20 0 GHADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791600 858907501 /nfs/dbraw/zinc/90/75/01/858907501.db2.gz QWUUEWQBWROWPA-IIZPIQPGSA-N 2 1 397.588 3.593 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791600 858907509 /nfs/dbraw/zinc/90/75/09/858907509.db2.gz QWUUEWQBWROWPA-IIZPIQPGSA-N 2 1 397.588 3.593 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791600 858907513 /nfs/dbraw/zinc/90/75/13/858907513.db2.gz QWUUEWQBWROWPA-IIZPIQPGSA-N 2 1 397.588 3.593 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146494 858936336 /nfs/dbraw/zinc/93/63/36/858936336.db2.gz IIWBCAQNNJWBPE-DQEYMECFSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146494 858936341 /nfs/dbraw/zinc/93/63/41/858936341.db2.gz IIWBCAQNNJWBPE-DQEYMECFSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146494 858936347 /nfs/dbraw/zinc/93/63/47/858936347.db2.gz IIWBCAQNNJWBPE-DQEYMECFSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc(O[C@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146494 858936352 /nfs/dbraw/zinc/93/63/52/858936352.db2.gz IIWBCAQNNJWBPE-DQEYMECFSA-N 2 1 392.543 3.952 20 0 GHADMP Cc1ccc(C)c(C[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000429294570 858956674 /nfs/dbraw/zinc/95/66/74/858956674.db2.gz OMAKIBREBQLDQV-UHFFFAOYSA-N 2 1 379.548 3.647 20 0 GHADMP Cc1ccc(C)c(C[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000429294570 858956682 /nfs/dbraw/zinc/95/66/82/858956682.db2.gz OMAKIBREBQLDQV-UHFFFAOYSA-N 2 1 379.548 3.647 20 0 GHADMP Cc1ccc(NCCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[nH+]c1 ZINC000184845446 859006161 /nfs/dbraw/zinc/00/61/61/859006161.db2.gz HPZKFNARTPRGMQ-UHFFFAOYSA-N 2 1 380.536 3.611 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368562472 859022698 /nfs/dbraw/zinc/02/26/98/859022698.db2.gz PEAKTQXMGJAXEA-UHZRXMQZSA-N 2 1 377.573 3.771 20 0 GHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CCSc2ccccc21 ZINC000443604553 859033242 /nfs/dbraw/zinc/03/32/42/859033242.db2.gz OQWMORRHAKBNNI-UHFFFAOYSA-N 2 1 387.593 3.713 20 0 GHADMP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101835 859062606 /nfs/dbraw/zinc/06/26/06/859062606.db2.gz JCRUMKZHCZMBFU-UWJYYQICSA-N 2 1 376.903 3.966 20 0 GHADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101835 859062613 /nfs/dbraw/zinc/06/26/13/859062613.db2.gz JCRUMKZHCZMBFU-UWJYYQICSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187101835 859062615 /nfs/dbraw/zinc/06/26/15/859062615.db2.gz JCRUMKZHCZMBFU-UWJYYQICSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187101835 859062622 /nfs/dbraw/zinc/06/26/22/859062622.db2.gz JCRUMKZHCZMBFU-UWJYYQICSA-N 2 1 376.903 3.966 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(OC(F)F)c3)C2)ccn1 ZINC000856552514 881381172 /nfs/dbraw/zinc/38/11/72/881381172.db2.gz DGOQWQAVSSMXFT-FQEVSTJZSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(OC(F)F)c3)C2)ccn1 ZINC000856552514 881381191 /nfs/dbraw/zinc/38/11/91/881381191.db2.gz DGOQWQAVSSMXFT-FQEVSTJZSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(OC(F)F)c3)C2)ccn1 ZINC000856552514 881381210 /nfs/dbraw/zinc/38/12/10/881381210.db2.gz DGOQWQAVSSMXFT-FQEVSTJZSA-N 2 1 391.462 3.788 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185710997 859119142 /nfs/dbraw/zinc/11/91/42/859119142.db2.gz XZEOTVCLGFULQM-TZIWHRDSSA-N 2 1 383.580 3.729 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185710997 859119148 /nfs/dbraw/zinc/11/91/48/859119148.db2.gz XZEOTVCLGFULQM-TZIWHRDSSA-N 2 1 383.580 3.729 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769077 859126692 /nfs/dbraw/zinc/12/66/92/859126692.db2.gz PKFDDLXYMQSQLS-AUSJPIAWSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769077 859126696 /nfs/dbraw/zinc/12/66/96/859126696.db2.gz PKFDDLXYMQSQLS-AUSJPIAWSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000483101825 859138817 /nfs/dbraw/zinc/13/88/17/859138817.db2.gz IWBSQFZPBZKRMX-HBFSDRIKSA-N 2 1 392.613 3.695 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3coc(-c4ccccc4)n3)C2)ccn1 ZINC000856554010 881389424 /nfs/dbraw/zinc/38/94/24/881389424.db2.gz OLILGISSMSTWKS-QFIPXVFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3coc(-c4ccccc4)n3)C2)ccn1 ZINC000856554010 881389447 /nfs/dbraw/zinc/38/94/47/881389447.db2.gz OLILGISSMSTWKS-QFIPXVFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)ccn1 ZINC000856554010 881389475 /nfs/dbraw/zinc/38/94/75/881389475.db2.gz OLILGISSMSTWKS-QFIPXVFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)ccn1 ZINC000856554010 881389508 /nfs/dbraw/zinc/38/95/08/881389508.db2.gz OLILGISSMSTWKS-QFIPXVFZSA-N 2 1 392.503 3.842 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@@H](C)C1 ZINC000483130762 859169609 /nfs/dbraw/zinc/16/96/09/859169609.db2.gz XYJQCYLKHONFSA-ZWOKBUDYSA-N 2 1 387.568 3.704 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H](C)C1 ZINC000443657143 859199737 /nfs/dbraw/zinc/19/97/37/859199737.db2.gz SMWSRCXJFVCVLX-MSOLQXFVSA-N 2 1 375.582 3.542 20 0 GHADMP CCC(CC)(CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000113595131 859238624 /nfs/dbraw/zinc/23/86/24/859238624.db2.gz OYYPWANMAZCAGI-OALUTQOASA-N 2 1 386.584 3.680 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC001168025547 859247452 /nfs/dbraw/zinc/24/74/52/859247452.db2.gz CSEMUHSQOSFYIG-RMFSNUHRSA-N 2 1 377.536 3.823 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC001168025547 859247463 /nfs/dbraw/zinc/24/74/63/859247463.db2.gz CSEMUHSQOSFYIG-RMFSNUHRSA-N 2 1 377.536 3.823 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccccc3)C2)ccn1 ZINC000856555873 881405355 /nfs/dbraw/zinc/40/53/55/881405355.db2.gz SQAJIWMXFXPALW-JOCHJYFZSA-N 2 1 391.519 3.577 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)ccn1 ZINC000856555873 881405359 /nfs/dbraw/zinc/40/53/59/881405359.db2.gz SQAJIWMXFXPALW-JOCHJYFZSA-N 2 1 391.519 3.577 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)ccn1 ZINC000856555873 881405364 /nfs/dbraw/zinc/40/53/64/881405364.db2.gz SQAJIWMXFXPALW-JOCHJYFZSA-N 2 1 391.519 3.577 20 0 GHADMP COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000483360302 859310526 /nfs/dbraw/zinc/31/05/26/859310526.db2.gz VJOCEVHSQRAMGM-HOTGVXAUSA-N 2 1 379.570 3.511 20 0 GHADMP COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000483360302 859310532 /nfs/dbraw/zinc/31/05/32/859310532.db2.gz VJOCEVHSQRAMGM-HOTGVXAUSA-N 2 1 379.570 3.511 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)C1 ZINC000429443456 859382797 /nfs/dbraw/zinc/38/27/97/859382797.db2.gz CYWWSMNDEKLASP-IEZKXTBUSA-N 2 1 399.623 3.910 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cn1 ZINC000856558281 881414779 /nfs/dbraw/zinc/41/47/79/881414779.db2.gz FKRDXRJKBJXPIT-HSZRJFAPSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccc(CCC[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cn1 ZINC000856558281 881414932 /nfs/dbraw/zinc/41/49/32/881414932.db2.gz FKRDXRJKBJXPIT-HSZRJFAPSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cn1 ZINC000856558281 881415046 /nfs/dbraw/zinc/41/50/46/881415046.db2.gz FKRDXRJKBJXPIT-HSZRJFAPSA-N 2 1 382.552 3.711 20 0 GHADMP O[C@H](COc1ccccc1F)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466901 859393605 /nfs/dbraw/zinc/39/36/05/859393605.db2.gz BTLOQEZIMRBIEX-FUDKSRODSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466901 859393615 /nfs/dbraw/zinc/39/36/15/859393615.db2.gz BTLOQEZIMRBIEX-FUDKSRODSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466901 859393624 /nfs/dbraw/zinc/39/36/24/859393624.db2.gz BTLOQEZIMRBIEX-FUDKSRODSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483466901 859393635 /nfs/dbraw/zinc/39/36/35/859393635.db2.gz BTLOQEZIMRBIEX-FUDKSRODSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466901 859393646 /nfs/dbraw/zinc/39/36/46/859393646.db2.gz BTLOQEZIMRBIEX-FUDKSRODSA-N 2 1 398.522 3.552 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(F)c1 ZINC000856558132 881424825 /nfs/dbraw/zinc/42/48/25/881424825.db2.gz FMOVFBPFTHQMAG-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(F)c1 ZINC000856558132 881424831 /nfs/dbraw/zinc/42/48/31/881424831.db2.gz FMOVFBPFTHQMAG-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@@H]1C ZINC000483522528 859433531 /nfs/dbraw/zinc/43/35/31/859433531.db2.gz ZIBRLDLROVRNEF-PMACEKPBSA-N 2 1 378.605 3.689 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000626062044 859434682 /nfs/dbraw/zinc/43/46/82/859434682.db2.gz DPLMAXSKZCTLRW-MOPGFXCFSA-N 2 1 397.563 3.845 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(F)c1 ZINC000856558132 881424836 /nfs/dbraw/zinc/42/48/36/881424836.db2.gz FMOVFBPFTHQMAG-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(F)c1 ZINC000856558132 881424837 /nfs/dbraw/zinc/42/48/37/881424837.db2.gz FMOVFBPFTHQMAG-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(-c2ccccc2)c1 ZINC000764466530 859458573 /nfs/dbraw/zinc/45/85/73/859458573.db2.gz RGAJKJUARSXSHV-RXVVDRJESA-N 2 1 395.576 3.573 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(-c2ccccc2)c1 ZINC000764466528 859459045 /nfs/dbraw/zinc/45/90/45/859459045.db2.gz RGAJKJUARSXSHV-NQIIRXRSSA-N 2 1 395.576 3.573 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466443096 859515928 /nfs/dbraw/zinc/51/59/28/859515928.db2.gz BBBWJKWMBYZWMQ-XUUQEUKMSA-N 2 1 384.486 3.828 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466443096 859515934 /nfs/dbraw/zinc/51/59/34/859515934.db2.gz BBBWJKWMBYZWMQ-XUUQEUKMSA-N 2 1 384.486 3.828 20 0 GHADMP COc1ccc(Oc2ccc(CN3CCC([N@@H+](C)CCCO)CC3)cc2)cc1 ZINC000543398593 859577991 /nfs/dbraw/zinc/57/79/91/859577991.db2.gz UXGLPIFDAGFXIM-UHFFFAOYSA-N 2 1 384.520 3.766 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000114455644 859613647 /nfs/dbraw/zinc/61/36/47/859613647.db2.gz ICJHBZBQBPJEPG-QHCPKHFHSA-N 2 1 379.548 3.966 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000118001093 859683251 /nfs/dbraw/zinc/68/32/51/859683251.db2.gz YCSGUKJBHZEPQC-QHCPKHFHSA-N 2 1 377.381 3.765 20 0 GHADMP C[C@@H](c1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000118031731 859693175 /nfs/dbraw/zinc/69/31/75/859693175.db2.gz NOLKUFXEVZVKHQ-AVRDEDQJSA-N 2 1 396.535 3.504 20 0 GHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543459585 859793519 /nfs/dbraw/zinc/79/35/19/859793519.db2.gz AEDJURWYUOKQFB-UNMCSNQZSA-N 2 1 385.596 3.976 20 0 GHADMP CCCN(Cc1ccc(C)cc1)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543459585 859793523 /nfs/dbraw/zinc/79/35/23/859793523.db2.gz AEDJURWYUOKQFB-UNMCSNQZSA-N 2 1 385.596 3.976 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000499804609 859855158 /nfs/dbraw/zinc/85/51/58/859855158.db2.gz ZVSJOLKROAHQIQ-PMACEKPBSA-N 2 1 398.595 3.698 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607788 859857745 /nfs/dbraw/zinc/85/77/45/859857745.db2.gz YIIJEVAQOMHYNC-NVXWUHKLSA-N 2 1 395.473 3.802 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607788 859857753 /nfs/dbraw/zinc/85/77/53/859857753.db2.gz YIIJEVAQOMHYNC-NVXWUHKLSA-N 2 1 395.473 3.802 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607788 859857767 /nfs/dbraw/zinc/85/77/67/859857767.db2.gz YIIJEVAQOMHYNC-NVXWUHKLSA-N 2 1 395.473 3.802 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000765245982 859863666 /nfs/dbraw/zinc/86/36/66/859863666.db2.gz QKRKRFCOIZZYKS-ZJSXRUAMSA-N 2 1 387.612 3.946 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000922387754 859866566 /nfs/dbraw/zinc/86/65/66/859866566.db2.gz MUKXJQOSDMMCDW-ANTGDGSKSA-N 2 1 389.540 3.519 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000484288117 859925818 /nfs/dbraw/zinc/92/58/18/859925818.db2.gz HQTFWHFCARQXLI-DSKINZAPSA-N 2 1 379.976 3.645 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000765359317 859928030 /nfs/dbraw/zinc/92/80/30/859928030.db2.gz VEVAOHXMMRDWNH-ZCNNSNEGSA-N 2 1 397.604 3.503 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369580 859932009 /nfs/dbraw/zinc/93/20/09/859932009.db2.gz HPMUDDAAKNNWEO-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033427 859949054 /nfs/dbraw/zinc/94/90/54/859949054.db2.gz LMWQWVPGEOTXCX-JHDGKUDLSA-N 2 1 393.579 3.724 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC001168034583 860037976 /nfs/dbraw/zinc/03/79/76/860037976.db2.gz PVFKBNMRSLUIIE-JHDGKUDLSA-N 2 1 393.579 3.785 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC000474485455 860203000 /nfs/dbraw/zinc/20/30/00/860203000.db2.gz DVIURQSCNZXYBK-ZBFHGGJFSA-N 2 1 386.321 3.544 20 0 GHADMP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000154634302 860211205 /nfs/dbraw/zinc/21/12/05/860211205.db2.gz NATFPEQRVDTNFN-IBGZPJMESA-N 2 1 390.572 3.712 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535656152 860263480 /nfs/dbraw/zinc/26/34/80/860263480.db2.gz VGZFSRNZMHGYOG-GMBSWORKSA-N 2 1 398.954 3.501 20 0 GHADMP CCOC(=O)c1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000602798605 860283381 /nfs/dbraw/zinc/28/33/81/860283381.db2.gz LYTZPMFNRNOBJD-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP CCOC(=O)c1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000602798605 860283388 /nfs/dbraw/zinc/28/33/88/860283388.db2.gz LYTZPMFNRNOBJD-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474542217 860326628 /nfs/dbraw/zinc/32/66/28/860326628.db2.gz AVPRQHYFDXQKCH-WIYYLYMNSA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474542217 860326637 /nfs/dbraw/zinc/32/66/37/860326637.db2.gz AVPRQHYFDXQKCH-WIYYLYMNSA-N 2 1 377.548 3.807 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000474546579 860332244 /nfs/dbraw/zinc/33/22/44/860332244.db2.gz HZKHXWORHLTIBP-FEZPLFSRSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)NC2CC([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000474546581 860332402 /nfs/dbraw/zinc/33/24/02/860332402.db2.gz HZKHXWORHLTIBP-JABWIYMSSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904576520 860520531 /nfs/dbraw/zinc/52/05/31/860520531.db2.gz KVMGOMYTQQTCRB-NRFANRHFSA-N 2 1 395.551 3.794 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)c2)CCO1 ZINC000474618579 860535561 /nfs/dbraw/zinc/53/55/61/860535561.db2.gz DGXLDOJICCXHBY-GOSISDBHSA-N 2 1 394.494 3.522 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)c2)CCO1 ZINC000474618579 860535571 /nfs/dbraw/zinc/53/55/71/860535571.db2.gz DGXLDOJICCXHBY-GOSISDBHSA-N 2 1 394.494 3.522 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)c(OC)c3)C2)ccn1 ZINC000856584755 881555440 /nfs/dbraw/zinc/55/54/40/881555440.db2.gz QXDQVZDPESSIBU-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)c(OC)c3)C2)ccn1 ZINC000856584755 881555444 /nfs/dbraw/zinc/55/54/44/881555444.db2.gz QXDQVZDPESSIBU-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c(OC)c3)C2)ccn1 ZINC000856584755 881555452 /nfs/dbraw/zinc/55/54/52/881555452.db2.gz QXDQVZDPESSIBU-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000532230920 881556328 /nfs/dbraw/zinc/55/63/28/881556328.db2.gz ZZAMRKDVKGIQFB-ZTCOLXNVSA-N 2 1 380.532 3.545 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000532230920 881556345 /nfs/dbraw/zinc/55/63/45/881556345.db2.gz ZZAMRKDVKGIQFB-ZTCOLXNVSA-N 2 1 380.532 3.545 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCc3ccccc3OC)C2)ccn1 ZINC000856585993 881558058 /nfs/dbraw/zinc/55/80/58/881558058.db2.gz OIVPTAJOQOULOA-JOCHJYFZSA-N 2 1 383.536 3.628 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCc3ccccc3OC)C2)ccn1 ZINC000856585993 881558069 /nfs/dbraw/zinc/55/80/69/881558069.db2.gz OIVPTAJOQOULOA-JOCHJYFZSA-N 2 1 383.536 3.628 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCc3ccccc3OC)C2)ccn1 ZINC000856585993 881558076 /nfs/dbraw/zinc/55/80/76/881558076.db2.gz OIVPTAJOQOULOA-JOCHJYFZSA-N 2 1 383.536 3.628 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168556256 860605838 /nfs/dbraw/zinc/60/58/38/860605838.db2.gz AOCPWKCVMAQPRC-HZPDHXFCSA-N 2 1 393.494 3.735 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(-c4ccccc4)on3)C2)ccn1 ZINC000856591465 881563453 /nfs/dbraw/zinc/56/34/53/881563453.db2.gz AICMDVDZQXSPCN-JOCHJYFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(-c4ccccc4)on3)C2)ccn1 ZINC000856591465 881563464 /nfs/dbraw/zinc/56/34/64/881563464.db2.gz AICMDVDZQXSPCN-JOCHJYFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)on3)C2)ccn1 ZINC000856591465 881563480 /nfs/dbraw/zinc/56/34/80/881563480.db2.gz AICMDVDZQXSPCN-JOCHJYFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)on3)C2)ccn1 ZINC000856591465 881563487 /nfs/dbraw/zinc/56/34/87/881563487.db2.gz AICMDVDZQXSPCN-JOCHJYFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3c(C)cccc3C)C2)ccn1 ZINC000856591428 881563970 /nfs/dbraw/zinc/56/39/70/881563970.db2.gz BOKNIJZJZNZXCK-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3c(C)cccc3C)C2)ccn1 ZINC000856591428 881563979 /nfs/dbraw/zinc/56/39/79/881563979.db2.gz BOKNIJZJZNZXCK-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3c(C)cccc3C)C2)ccn1 ZINC000856591428 881563987 /nfs/dbraw/zinc/56/39/87/881563987.db2.gz BOKNIJZJZNZXCK-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCC(CC(=O)OC)CC3)CC2)cs1 ZINC000599028770 860736230 /nfs/dbraw/zinc/73/62/30/860736230.db2.gz XQPKBKDKAMLCNV-UHFFFAOYSA-N 2 1 393.597 3.629 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869354 860803174 /nfs/dbraw/zinc/80/31/74/860803174.db2.gz LIJDBBVTIRWWPS-DXIQSLLYSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869354 860803179 /nfs/dbraw/zinc/80/31/79/860803179.db2.gz LIJDBBVTIRWWPS-DXIQSLLYSA-N 2 1 375.520 3.971 20 0 GHADMP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856605456 881582184 /nfs/dbraw/zinc/58/21/84/881582184.db2.gz CFKOIVREDRYRQH-HSZRJFAPSA-N 2 1 398.551 3.757 20 0 GHADMP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856605456 881582198 /nfs/dbraw/zinc/58/21/98/881582198.db2.gz CFKOIVREDRYRQH-HSZRJFAPSA-N 2 1 398.551 3.757 20 0 GHADMP CC(C)Oc1ccnc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856605456 881582205 /nfs/dbraw/zinc/58/22/05/881582205.db2.gz CFKOIVREDRYRQH-HSZRJFAPSA-N 2 1 398.551 3.757 20 0 GHADMP CC(C)Oc1ccnc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856605456 881582213 /nfs/dbraw/zinc/58/22/13/881582213.db2.gz CFKOIVREDRYRQH-HSZRJFAPSA-N 2 1 398.551 3.757 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc4ccccc4n3)C2)ccn1 ZINC000856606216 881582501 /nfs/dbraw/zinc/58/25/01/881582501.db2.gz JILZOHIXEINBAZ-NRFANRHFSA-N 2 1 391.519 3.518 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc4ccccc4n3)C2)ccn1 ZINC000856606216 881582508 /nfs/dbraw/zinc/58/25/08/881582508.db2.gz JILZOHIXEINBAZ-NRFANRHFSA-N 2 1 391.519 3.518 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc4ccccc4n3)C2)ccn1 ZINC000856606216 881582512 /nfs/dbraw/zinc/58/25/12/881582512.db2.gz JILZOHIXEINBAZ-NRFANRHFSA-N 2 1 391.519 3.518 20 0 GHADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)[C@H]1C ZINC000474821879 860816436 /nfs/dbraw/zinc/81/64/36/860816436.db2.gz MZQNACUOLFSUIC-NPPFBWRTSA-N 2 1 384.520 3.979 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607153 881585674 /nfs/dbraw/zinc/58/56/74/881585674.db2.gz WXQHWINWBBJJTL-FOVJLYNBSA-N 2 1 397.563 3.540 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607153 881585684 /nfs/dbraw/zinc/58/56/84/881585684.db2.gz WXQHWINWBBJJTL-FOVJLYNBSA-N 2 1 397.563 3.540 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607153 881585690 /nfs/dbraw/zinc/58/56/90/881585690.db2.gz WXQHWINWBBJJTL-FOVJLYNBSA-N 2 1 397.563 3.540 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474823996 860856868 /nfs/dbraw/zinc/85/68/68/860856868.db2.gz XSLBCYPNSRUQMG-JKIFEVAISA-N 2 1 386.321 3.685 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474823996 860856881 /nfs/dbraw/zinc/85/68/81/860856881.db2.gz XSLBCYPNSRUQMG-JKIFEVAISA-N 2 1 386.321 3.685 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2sc1=O ZINC000192517253 860870255 /nfs/dbraw/zinc/87/02/55/860870255.db2.gz AWHIXLANYHFSIZ-MRXNPFEDSA-N 2 1 387.574 3.663 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2sc1=O ZINC000192517253 860870264 /nfs/dbraw/zinc/87/02/64/860870264.db2.gz AWHIXLANYHFSIZ-MRXNPFEDSA-N 2 1 387.574 3.663 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623374925 860962529 /nfs/dbraw/zinc/96/25/29/860962529.db2.gz WCKCOSOFQFJWIL-DOTOQJQBSA-N 2 1 380.374 3.738 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000120511114 881614916 /nfs/dbraw/zinc/61/49/16/881614916.db2.gz VBLDLIPSVWNQSH-UHFFFAOYSA-N 2 1 397.567 3.799 20 0 GHADMP CC[C@H]1[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048921 863107781 /nfs/dbraw/zinc/10/77/81/863107781.db2.gz YJKOYGOYPSOSDH-FSNSLZAISA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@H]1[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048921 863107787 /nfs/dbraw/zinc/10/77/87/863107787.db2.gz YJKOYGOYPSOSDH-FSNSLZAISA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000605516811 863130037 /nfs/dbraw/zinc/13/00/37/863130037.db2.gz GDESDMKGUZPQEM-QHCPKHFHSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605646816 863210260 /nfs/dbraw/zinc/21/02/60/863210260.db2.gz YHIYOVYSAIYPAS-NRFANRHFSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000605646816 863210272 /nfs/dbraw/zinc/21/02/72/863210272.db2.gz YHIYOVYSAIYPAS-NRFANRHFSA-N 2 1 391.559 3.632 20 0 GHADMP Brc1ccc2c(c1)CC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482570154 863328546 /nfs/dbraw/zinc/32/85/46/863328546.db2.gz SVSQRULLBYEKBP-GOSISDBHSA-N 2 1 379.342 3.671 20 0 GHADMP Ic1ccc([C@@H]2CCCN2CCCn2ccnc2)cc1 ZINC000182804041 863360428 /nfs/dbraw/zinc/36/04/28/863360428.db2.gz TUKFYQWEZMNZOU-INIZCTEOSA-N 2 1 381.261 3.715 20 0 GHADMP COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183142821 863484330 /nfs/dbraw/zinc/48/43/30/863484330.db2.gz LYFVKCLJYRUBEC-DLBZAZTESA-N 2 1 392.503 3.545 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000183148958 863487546 /nfs/dbraw/zinc/48/75/46/863487546.db2.gz XQKCVORTJACVDO-UONOGXRCSA-N 2 1 383.883 3.907 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)c2cccs2)CC1 ZINC000606468934 863650044 /nfs/dbraw/zinc/65/00/44/863650044.db2.gz NMAXFCSKQRWWRE-LJQANCHMSA-N 2 1 385.577 3.540 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606627744 863722320 /nfs/dbraw/zinc/72/23/20/863722320.db2.gz ZSZULEBOHWUISU-UHFFFAOYSA-N 2 1 398.595 3.832 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@H](C)C1 ZINC000158707058 863922944 /nfs/dbraw/zinc/92/29/44/863922944.db2.gz RNCRJLKOECYHGG-XXBNENTESA-N 2 1 379.548 3.745 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@H](C)C1 ZINC000158707058 863922957 /nfs/dbraw/zinc/92/29/57/863922957.db2.gz RNCRJLKOECYHGG-XXBNENTESA-N 2 1 379.548 3.745 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000607054234 864016820 /nfs/dbraw/zinc/01/68/20/864016820.db2.gz HCFDWFCVZCPSSH-PGRDOPGGSA-N 2 1 387.568 3.793 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000159118223 864036888 /nfs/dbraw/zinc/03/68/88/864036888.db2.gz JGAWUYHFIZIWNZ-VGOFRKELSA-N 2 1 376.504 3.531 20 0 GHADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)CC1 ZINC000480098254 864057730 /nfs/dbraw/zinc/05/77/30/864057730.db2.gz SZKOGAYCTQVTQU-UHFFFAOYSA-N 2 1 389.515 3.957 20 0 GHADMP c1nc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)sc1C1OCCO1 ZINC000898519263 864080401 /nfs/dbraw/zinc/08/04/01/864080401.db2.gz OERLOXQQDPUQRO-CEXWTWQISA-N 2 1 399.560 3.579 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000475127669 864267259 /nfs/dbraw/zinc/26/72/59/864267259.db2.gz DHNJGMSBCABKMR-GOTSBHOMSA-N 2 1 394.563 3.514 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621660511 864337361 /nfs/dbraw/zinc/33/73/61/864337361.db2.gz MHCZCWDNNSHGDM-MFMILTCTSA-N 2 1 395.950 3.899 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621660511 864337375 /nfs/dbraw/zinc/33/73/75/864337375.db2.gz MHCZCWDNNSHGDM-MFMILTCTSA-N 2 1 395.950 3.899 20 0 GHADMP COc1ccc2cc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2c1 ZINC000607366261 864349602 /nfs/dbraw/zinc/34/96/02/864349602.db2.gz FFWFCNSKQCICAZ-DEOSSOPVSA-N 2 1 376.500 3.575 20 0 GHADMP COc1ccc2cc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2c1 ZINC000607366261 864349619 /nfs/dbraw/zinc/34/96/19/864349619.db2.gz FFWFCNSKQCICAZ-DEOSSOPVSA-N 2 1 376.500 3.575 20 0 GHADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000030919170 864862875 /nfs/dbraw/zinc/86/28/75/864862875.db2.gz JEPGHUKFYIFGHF-UHFFFAOYSA-N 2 1 384.549 3.674 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cscc3Br)CC2)C[C@H](C)O1 ZINC000554855049 865049713 /nfs/dbraw/zinc/04/97/13/865049713.db2.gz IFOLRIUZRBMYDJ-KBPBESRZSA-N 2 1 387.387 3.832 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000480664239 865081692 /nfs/dbraw/zinc/08/16/92/865081692.db2.gz ZEIRMGJIKLHASQ-UHFFFAOYSA-N 2 1 393.575 3.903 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](CC)CC1 ZINC000480664501 865082365 /nfs/dbraw/zinc/08/23/65/865082365.db2.gz NCEKSWLWPLARCQ-IBGZPJMESA-N 2 1 383.374 3.861 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170423523 881843057 /nfs/dbraw/zinc/84/30/57/881843057.db2.gz FZDQPIZPVYFVPH-ACRUOGEOSA-N 2 1 381.520 3.904 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000667736929 865184458 /nfs/dbraw/zinc/18/44/58/865184458.db2.gz YNMZAZGJCBAEAC-CEMLEFRQSA-N 2 1 378.520 3.568 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000171242244 865188787 /nfs/dbraw/zinc/18/87/87/865188787.db2.gz AQCRWDBKEDYEFL-IBGZPJMESA-N 2 1 397.567 3.559 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480748416 865192523 /nfs/dbraw/zinc/19/25/23/865192523.db2.gz LFTMWGNPXGZESI-KRWDZBQOSA-N 2 1 377.529 3.885 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000608357464 865254855 /nfs/dbraw/zinc/25/48/55/865254855.db2.gz LLIHXXZACZGMDT-UHFFFAOYSA-N 2 1 388.471 3.919 20 0 GHADMP Cc1nc2c(s1)[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)CCC2 ZINC000480783260 865264325 /nfs/dbraw/zinc/26/43/25/865264325.db2.gz ZHMZNJWGUFVRLU-TZIWHRDSSA-N 2 1 384.593 3.797 20 0 GHADMP C[NH+]1CCC(CNc2ncnc3sc4c(c32)CCC4)([NH+]2CCCCC2)CC1 ZINC000301416787 865349488 /nfs/dbraw/zinc/34/94/88/865349488.db2.gz AUQQMEMBXRPAEF-UHFFFAOYSA-N 2 1 385.581 3.542 20 0 GHADMP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301523834 865401360 /nfs/dbraw/zinc/40/13/60/865401360.db2.gz HZJVMHGTCOREMS-UHFFFAOYSA-N 2 1 392.341 3.934 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000608655900 865563017 /nfs/dbraw/zinc/56/30/17/865563017.db2.gz UNDYMUVBDFBREA-RTWAWAEBSA-N 2 1 398.551 3.578 20 0 GHADMP O[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)C[NH+]1CCCC1 ZINC000481050562 865745458 /nfs/dbraw/zinc/74/54/58/865745458.db2.gz OIYJPFBFMWSFJG-DLBZAZTESA-N 2 1 391.968 3.887 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000185212271 865749516 /nfs/dbraw/zinc/74/95/16/865749516.db2.gz IDTJOXQMNQZEJP-HSZRJFAPSA-N 2 1 377.488 3.550 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000555231146 865750751 /nfs/dbraw/zinc/75/07/51/865750751.db2.gz VXGFSEMCYXANEB-VZKPYBMVSA-N 2 1 377.960 3.710 20 0 GHADMP CC(C)[NH+](C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555231146 865750755 /nfs/dbraw/zinc/75/07/55/865750755.db2.gz VXGFSEMCYXANEB-VZKPYBMVSA-N 2 1 377.960 3.710 20 0 GHADMP CC(C)[NH+](C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555231146 865750768 /nfs/dbraw/zinc/75/07/68/865750768.db2.gz VXGFSEMCYXANEB-VZKPYBMVSA-N 2 1 377.960 3.710 20 0 GHADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000302215448 865770228 /nfs/dbraw/zinc/77/02/28/865770228.db2.gz IYILYUHLORMSRO-KSSFIOAISA-N 2 1 392.425 3.694 20 0 GHADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000302215448 865770234 /nfs/dbraw/zinc/77/02/34/865770234.db2.gz IYILYUHLORMSRO-KSSFIOAISA-N 2 1 392.425 3.694 20 0 GHADMP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000302638975 865864221 /nfs/dbraw/zinc/86/42/21/865864221.db2.gz HXPQDXFXUYREKT-HNNXBMFYSA-N 2 1 391.357 3.683 20 0 GHADMP CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029814 865906280 /nfs/dbraw/zinc/90/62/80/865906280.db2.gz HJWZORVETDTQQR-UHFFFAOYSA-N 2 1 396.535 3.535 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000481181590 865940482 /nfs/dbraw/zinc/94/04/82/865940482.db2.gz ZTBNKNDZBDUMKW-YGOYIFOWSA-N 2 1 391.559 3.680 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCCc2ccccc21 ZINC000481181590 865940492 /nfs/dbraw/zinc/94/04/92/865940492.db2.gz ZTBNKNDZBDUMKW-YGOYIFOWSA-N 2 1 391.559 3.680 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105457097 866297422 /nfs/dbraw/zinc/29/74/22/866297422.db2.gz WTJYLUOKWZSOQT-KRWDZBQOSA-N 2 1 376.495 3.977 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105457097 866297440 /nfs/dbraw/zinc/29/74/40/866297440.db2.gz WTJYLUOKWZSOQT-KRWDZBQOSA-N 2 1 376.495 3.977 20 0 GHADMP CN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000741219230 866316606 /nfs/dbraw/zinc/31/66/06/866316606.db2.gz IMLUXESSSSLVMP-FQEVSTJZSA-N 2 1 389.927 3.546 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000478626702 866379015 /nfs/dbraw/zinc/37/90/15/866379015.db2.gz XSFYDOUMAANKAH-NZQKXSOJSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000478626702 866379021 /nfs/dbraw/zinc/37/90/21/866379021.db2.gz XSFYDOUMAANKAH-NZQKXSOJSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000478626702 866379030 /nfs/dbraw/zinc/37/90/30/866379030.db2.gz XSFYDOUMAANKAH-NZQKXSOJSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000478626702 866379034 /nfs/dbraw/zinc/37/90/34/866379034.db2.gz XSFYDOUMAANKAH-NZQKXSOJSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(-n2ccnc2)cc1 ZINC000153488386 866524005 /nfs/dbraw/zinc/52/40/05/866524005.db2.gz XVDAXPOAVJSSIF-PMACEKPBSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(-n2ccnc2)cc1 ZINC000153488386 866524018 /nfs/dbraw/zinc/52/40/18/866524018.db2.gz XVDAXPOAVJSSIF-PMACEKPBSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000478834593 866728800 /nfs/dbraw/zinc/72/88/00/866728800.db2.gz ONVCXXYOBZBPDN-ZRCGQRJVSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000553143892 866874673 /nfs/dbraw/zinc/87/46/73/866874673.db2.gz SQROJXSTYRIIAC-ISKFKSNPSA-N 2 1 397.607 3.710 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000444598005 866920677 /nfs/dbraw/zinc/92/06/77/866920677.db2.gz NYNJPTBYEMJPIY-OXQOHEQNSA-N 2 1 385.556 3.907 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000479042240 867058382 /nfs/dbraw/zinc/05/83/82/867058382.db2.gz OHUCEDOUTWGPSM-MJGOQNOKSA-N 2 1 392.613 3.552 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2cc(Br)ccc21 ZINC000479071470 867093006 /nfs/dbraw/zinc/09/30/06/867093006.db2.gz TWJXUDKPVUSLOE-VQIMIIECSA-N 2 1 395.385 3.998 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000553339440 867227402 /nfs/dbraw/zinc/22/74/02/867227402.db2.gz HCODCVVKDBTKOT-FQEVSTJZSA-N 2 1 392.975 3.649 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455922545 867248918 /nfs/dbraw/zinc/24/89/18/867248918.db2.gz MFKCLYYGDNIIRB-MBSDFSHPSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455922545 867248935 /nfs/dbraw/zinc/24/89/35/867248935.db2.gz MFKCLYYGDNIIRB-MBSDFSHPSA-N 2 1 392.547 3.974 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)C1 ZINC000857158088 882065644 /nfs/dbraw/zinc/06/56/44/882065644.db2.gz MEHGBAWJJGFQIP-QNWVGRARSA-N 2 1 381.564 3.585 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)C1 ZINC000857158088 882065665 /nfs/dbraw/zinc/06/56/65/882065665.db2.gz MEHGBAWJJGFQIP-QNWVGRARSA-N 2 1 381.564 3.585 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)C1 ZINC000857158088 882065676 /nfs/dbraw/zinc/06/56/76/882065676.db2.gz MEHGBAWJJGFQIP-QNWVGRARSA-N 2 1 381.564 3.585 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479194353 867307228 /nfs/dbraw/zinc/30/72/28/867307228.db2.gz YLMOUOHFBVEDSL-HTAPYJJXSA-N 2 1 383.511 3.559 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000523446580 867327812 /nfs/dbraw/zinc/32/78/12/867327812.db2.gz BAIZYRQTBKJHAK-IBGZPJMESA-N 2 1 390.572 3.712 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000534833617 867565088 /nfs/dbraw/zinc/56/50/88/867565088.db2.gz PWLDYUHEXLZPSU-KCUHQSDYSA-N 2 1 392.975 3.599 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000534833617 867565102 /nfs/dbraw/zinc/56/51/02/867565102.db2.gz PWLDYUHEXLZPSU-KCUHQSDYSA-N 2 1 392.975 3.599 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000534833617 867565119 /nfs/dbraw/zinc/56/51/19/867565119.db2.gz PWLDYUHEXLZPSU-KCUHQSDYSA-N 2 1 392.975 3.599 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000534833617 867565128 /nfs/dbraw/zinc/56/51/28/867565128.db2.gz PWLDYUHEXLZPSU-KCUHQSDYSA-N 2 1 392.975 3.599 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000857197807 882108416 /nfs/dbraw/zinc/10/84/16/882108416.db2.gz DUSHBMXYNIKRSE-ZJSXRUAMSA-N 2 1 391.559 3.748 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000857197807 882108427 /nfs/dbraw/zinc/10/84/27/882108427.db2.gz DUSHBMXYNIKRSE-ZJSXRUAMSA-N 2 1 391.559 3.748 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000857197807 882108434 /nfs/dbraw/zinc/10/84/34/882108434.db2.gz DUSHBMXYNIKRSE-ZJSXRUAMSA-N 2 1 391.559 3.748 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000190170566 882110172 /nfs/dbraw/zinc/11/01/72/882110172.db2.gz VMCXGJKMKLUVCO-NOTZXAQLSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436396 867752464 /nfs/dbraw/zinc/75/24/64/867752464.db2.gz IOBNZPILLLMPAC-BEFAXECRSA-N 2 1 381.358 3.917 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534960921 867797241 /nfs/dbraw/zinc/79/72/41/867797241.db2.gz APPYVTUJVUOTOB-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534960921 867797254 /nfs/dbraw/zinc/79/72/54/867797254.db2.gz APPYVTUJVUOTOB-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534960921 867797263 /nfs/dbraw/zinc/79/72/63/867797263.db2.gz APPYVTUJVUOTOB-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479464771 867809569 /nfs/dbraw/zinc/80/95/69/867809569.db2.gz MWWWYOGMNHIJNH-UPVQGACJSA-N 2 1 389.547 3.830 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000523764281 867914239 /nfs/dbraw/zinc/91/42/39/867914239.db2.gz PUMKPVJZTLQKPZ-NYLDSWQDSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1cc2[nH]c(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)cc2c(C)c1 ZINC000479559401 868056671 /nfs/dbraw/zinc/05/66/71/868056671.db2.gz ZORAQGWOBBSAFK-UHFFFAOYSA-N 2 1 376.548 3.822 20 0 GHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000523849723 868089472 /nfs/dbraw/zinc/08/94/72/868089472.db2.gz CJWXWHFEBJVTCV-BBRMVZONSA-N 2 1 389.462 3.868 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000523855221 868108703 /nfs/dbraw/zinc/10/87/03/868108703.db2.gz CHMHWXWHJYMAIL-HSZRJFAPSA-N 2 1 381.564 3.711 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000523855221 868108710 /nfs/dbraw/zinc/10/87/10/868108710.db2.gz CHMHWXWHJYMAIL-HSZRJFAPSA-N 2 1 381.564 3.711 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000553772959 868169877 /nfs/dbraw/zinc/16/98/77/868169877.db2.gz JMVZNWGCXPGXQE-VIZSFHNOSA-N 2 1 398.595 3.829 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)CC2)[nH+]c1 ZINC000172124872 882171694 /nfs/dbraw/zinc/17/16/94/882171694.db2.gz UUAXUYYMNYNYBS-SFTDATJTSA-N 2 1 398.595 3.719 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)CC2)[nH+]c1 ZINC000172124872 882171699 /nfs/dbraw/zinc/17/16/99/882171699.db2.gz UUAXUYYMNYNYBS-SFTDATJTSA-N 2 1 398.595 3.719 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@H](C)C1 ZINC000156516576 868386605 /nfs/dbraw/zinc/38/66/05/868386605.db2.gz YNWZYUPKCBDRFK-BEFAXECRSA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@H](C)C1 ZINC000156516576 868386621 /nfs/dbraw/zinc/38/66/21/868386621.db2.gz YNWZYUPKCBDRFK-BEFAXECRSA-N 2 1 388.474 3.941 20 0 GHADMP CCN(Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000667549690 868462042 /nfs/dbraw/zinc/46/20/42/868462042.db2.gz TXZBHAWYVCCUKT-DENIHFKCSA-N 2 1 375.520 3.925 20 0 GHADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445812712 869016031 /nfs/dbraw/zinc/01/60/31/869016031.db2.gz ZKHMYQJYCKCUCI-IFXJQAMLSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445812712 869016042 /nfs/dbraw/zinc/01/60/42/869016042.db2.gz ZKHMYQJYCKCUCI-IFXJQAMLSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000445812712 869016055 /nfs/dbraw/zinc/01/60/55/869016055.db2.gz ZKHMYQJYCKCUCI-IFXJQAMLSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000445812712 869016066 /nfs/dbraw/zinc/01/60/66/869016066.db2.gz ZKHMYQJYCKCUCI-IFXJQAMLSA-N 2 1 397.332 3.916 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000539688876 869610697 /nfs/dbraw/zinc/61/06/97/869610697.db2.gz WFHLNCSNGSAXKC-FQEVSTJZSA-N 2 1 386.584 3.688 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC(C(F)(F)F)CC2)c2cccs2)CC1 ZINC000766332653 869634311 /nfs/dbraw/zinc/63/43/11/869634311.db2.gz WNUQXNKGPCNUIT-GPANFISMSA-N 2 1 375.504 3.747 20 0 GHADMP Cc1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccc1-n1cncn1 ZINC000539841060 869883495 /nfs/dbraw/zinc/88/34/95/869883495.db2.gz XLPKHASTOLGFDC-UHFFFAOYSA-N 2 1 389.547 3.920 20 0 GHADMP CC1CC[NH+](CCCC[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)CC1 ZINC000539950817 870064043 /nfs/dbraw/zinc/06/40/43/870064043.db2.gz MZSHZZGLDZOKPB-UHFFFAOYSA-N 2 1 393.019 3.694 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n(C)c1C ZINC000462798615 870114377 /nfs/dbraw/zinc/11/43/77/870114377.db2.gz QXTMUVLTHPASFB-UHFFFAOYSA-N 2 1 395.503 3.635 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cnn1-c1cccc(Cl)c1 ZINC000247966249 870248271 /nfs/dbraw/zinc/24/82/71/870248271.db2.gz GVCBQGOTYZIARM-UZLBHIALSA-N 2 1 390.959 3.722 20 0 GHADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247991144 870256985 /nfs/dbraw/zinc/25/69/85/870256985.db2.gz JJPFGFMHUDTVPZ-WZONZLPQSA-N 2 1 379.548 3.797 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000462876136 870273905 /nfs/dbraw/zinc/27/39/05/870273905.db2.gz JHQNJHXOBQIINT-HSZRJFAPSA-N 2 1 381.564 3.823 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462876136 870273922 /nfs/dbraw/zinc/27/39/22/870273922.db2.gz JHQNJHXOBQIINT-HSZRJFAPSA-N 2 1 381.564 3.823 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000462876136 870273939 /nfs/dbraw/zinc/27/39/39/870273939.db2.gz JHQNJHXOBQIINT-HSZRJFAPSA-N 2 1 381.564 3.823 20 0 GHADMP CSc1ccc(F)c(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Br ZINC001205591986 870300560 /nfs/dbraw/zinc/30/05/60/870300560.db2.gz PHTLKASHQKNLQD-HNNXBMFYSA-N 2 1 379.314 3.963 20 0 GHADMP CSc1ccc(F)c(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c1Br ZINC001205591986 870300577 /nfs/dbraw/zinc/30/05/77/870300577.db2.gz PHTLKASHQKNLQD-HNNXBMFYSA-N 2 1 379.314 3.963 20 0 GHADMP CN(C(=O)c1ccnc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000248387514 870353812 /nfs/dbraw/zinc/35/38/12/870353812.db2.gz PHHKHMQPHJGOSD-XZOQPEGZSA-N 2 1 394.563 3.644 20 0 GHADMP C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248392819 870362655 /nfs/dbraw/zinc/36/26/55/870362655.db2.gz DHGWXPGXHZEOCN-WOZUAGRISA-N 2 1 392.632 3.697 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248392819 870362671 /nfs/dbraw/zinc/36/26/71/870362671.db2.gz DHGWXPGXHZEOCN-WOZUAGRISA-N 2 1 392.632 3.697 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248392819 870362693 /nfs/dbraw/zinc/36/26/93/870362693.db2.gz DHGWXPGXHZEOCN-WOZUAGRISA-N 2 1 392.632 3.697 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000446793374 870375630 /nfs/dbraw/zinc/37/56/30/870375630.db2.gz PNAUEPRHXKJHRW-JOCHJYFZSA-N 2 1 393.531 3.815 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000446793374 870375749 /nfs/dbraw/zinc/37/57/49/870375749.db2.gz PNAUEPRHXKJHRW-JOCHJYFZSA-N 2 1 393.531 3.815 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)n1 ZINC000248407530 870383706 /nfs/dbraw/zinc/38/37/06/870383706.db2.gz DFKMDWMYLQRBLU-QPTUXGOLSA-N 2 1 390.575 3.859 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)[nH+]1 ZINC000248407530 870383725 /nfs/dbraw/zinc/38/37/25/870383725.db2.gz DFKMDWMYLQRBLU-QPTUXGOLSA-N 3 1 390.575 3.859 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)[nH+]1 ZINC000248407530 870383743 /nfs/dbraw/zinc/38/37/43/870383743.db2.gz DFKMDWMYLQRBLU-QPTUXGOLSA-N 3 1 390.575 3.859 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)[C@@H](C)C1 ZINC000248423548 870403035 /nfs/dbraw/zinc/40/30/35/870403035.db2.gz ZGHXWXKIHNFFRT-DDBGIMTGSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@H](C)C1 ZINC000248423548 870403051 /nfs/dbraw/zinc/40/30/51/870403051.db2.gz ZGHXWXKIHNFFRT-DDBGIMTGSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@H](C)C1 ZINC000248423548 870403060 /nfs/dbraw/zinc/40/30/60/870403060.db2.gz ZGHXWXKIHNFFRT-DDBGIMTGSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)[C@@H](C)C1 ZINC000248423548 870403072 /nfs/dbraw/zinc/40/30/72/870403072.db2.gz ZGHXWXKIHNFFRT-DDBGIMTGSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)[C@@H](C)C1 ZINC000248423548 870403082 /nfs/dbraw/zinc/40/30/82/870403082.db2.gz ZGHXWXKIHNFFRT-DDBGIMTGSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@H](C)C1 ZINC000248423548 870403093 /nfs/dbraw/zinc/40/30/93/870403093.db2.gz ZGHXWXKIHNFFRT-DDBGIMTGSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@H](C)C1 ZINC000248423548 870403105 /nfs/dbraw/zinc/40/31/05/870403105.db2.gz ZGHXWXKIHNFFRT-DDBGIMTGSA-N 3 1 399.623 3.624 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000538721612 870418364 /nfs/dbraw/zinc/41/83/64/870418364.db2.gz UIABXJVVZOFPLM-HXUWFJFHSA-N 2 1 385.527 3.994 20 0 GHADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000538720975 870419390 /nfs/dbraw/zinc/41/93/90/870419390.db2.gz HXYBWWKCILKRRJ-UGKGYDQZSA-N 2 1 379.552 3.510 20 0 GHADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000538720975 870419393 /nfs/dbraw/zinc/41/93/93/870419393.db2.gz HXYBWWKCILKRRJ-UGKGYDQZSA-N 2 1 379.552 3.510 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(OC(F)F)c1 ZINC000248438569 870422950 /nfs/dbraw/zinc/42/29/50/870422950.db2.gz HVKIZZBKBCAJMB-DNVCBOLYSA-N 2 1 376.447 3.705 20 0 GHADMP CCC[N@H+](Cc1nc2ccccc2n1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000538727544 870439933 /nfs/dbraw/zinc/43/99/33/870439933.db2.gz ZSZWARKHYBGXHC-UHFFFAOYSA-N 2 1 392.551 3.861 20 0 GHADMP CCC[N@@H+](Cc1nc2ccccc2n1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000538727544 870439944 /nfs/dbraw/zinc/43/99/44/870439944.db2.gz ZSZWARKHYBGXHC-UHFFFAOYSA-N 2 1 392.551 3.861 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248538519 870478867 /nfs/dbraw/zinc/47/88/67/870478867.db2.gz ALVDCDRUGMKEKS-MJQMVNBJSA-N 2 1 375.532 3.634 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248538519 870478880 /nfs/dbraw/zinc/47/88/80/870478880.db2.gz ALVDCDRUGMKEKS-MJQMVNBJSA-N 2 1 375.532 3.634 20 0 GHADMP Cc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1C ZINC000538735052 870480978 /nfs/dbraw/zinc/48/09/78/870480978.db2.gz SQYCMDUSYQAOLZ-UHFFFAOYSA-N 2 1 393.575 3.764 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248544406 870481302 /nfs/dbraw/zinc/48/13/02/870481302.db2.gz CWQSUQNZZONUEZ-YOUFYPILSA-N 2 1 383.580 3.985 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248544406 870481317 /nfs/dbraw/zinc/48/13/17/870481317.db2.gz CWQSUQNZZONUEZ-YOUFYPILSA-N 2 1 383.580 3.985 20 0 GHADMP Cc1cccc([C@H]2CCCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000538737405 870491408 /nfs/dbraw/zinc/49/14/08/870491408.db2.gz BPLWVGAQBLHVFU-JOCHJYFZSA-N 2 1 379.552 3.654 20 0 GHADMP Cc1cccc([C@H]2CCCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000538737405 870491414 /nfs/dbraw/zinc/49/14/14/870491414.db2.gz BPLWVGAQBLHVFU-JOCHJYFZSA-N 2 1 379.552 3.654 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248699421 870595480 /nfs/dbraw/zinc/59/54/80/870595480.db2.gz MJOUTMGQVFBTEQ-PKOBYXMFSA-N 2 1 380.602 3.504 20 0 GHADMP CCCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000538798297 870628960 /nfs/dbraw/zinc/62/89/60/870628960.db2.gz YCUDHVQXZHRKDL-SVFBPWRDSA-N 2 1 376.541 3.558 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000538798297 870628962 /nfs/dbraw/zinc/62/89/62/870628962.db2.gz YCUDHVQXZHRKDL-SVFBPWRDSA-N 2 1 376.541 3.558 20 0 GHADMP O[C@]1(CNCc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461017 870728610 /nfs/dbraw/zinc/72/86/10/870728610.db2.gz ZDZNIEYVMGBPDJ-FQEVSTJZSA-N 2 1 396.865 3.668 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000525461017 870728637 /nfs/dbraw/zinc/72/86/37/870728637.db2.gz ZDZNIEYVMGBPDJ-FQEVSTJZSA-N 2 1 396.865 3.668 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461017 870728652 /nfs/dbraw/zinc/72/86/52/870728652.db2.gz ZDZNIEYVMGBPDJ-FQEVSTJZSA-N 2 1 396.865 3.668 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001168789005 870736853 /nfs/dbraw/zinc/73/68/53/870736853.db2.gz HGKKKZONGBEHJH-NYHLTFSPSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001168789005 870736862 /nfs/dbraw/zinc/73/68/62/870736862.db2.gz HGKKKZONGBEHJH-NYHLTFSPSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001168789005 870736867 /nfs/dbraw/zinc/73/68/67/870736867.db2.gz HGKKKZONGBEHJH-NYHLTFSPSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001168789005 870736874 /nfs/dbraw/zinc/73/68/74/870736874.db2.gz HGKKKZONGBEHJH-NYHLTFSPSA-N 2 1 399.579 3.736 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cs2)cc1 ZINC000649420382 870742251 /nfs/dbraw/zinc/74/22/51/870742251.db2.gz CDVKAFAKYUSUJL-PMACEKPBSA-N 2 1 386.565 3.913 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)CC1 ZINC000461713878 870794035 /nfs/dbraw/zinc/79/40/35/870794035.db2.gz GDSFGZHYRISYHM-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000461713878 870794041 /nfs/dbraw/zinc/79/40/41/870794041.db2.gz GDSFGZHYRISYHM-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000461713878 870794052 /nfs/dbraw/zinc/79/40/52/870794052.db2.gz GDSFGZHYRISYHM-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463072284 870831020 /nfs/dbraw/zinc/83/10/20/870831020.db2.gz DOTHWODFBBIUDM-LJQANCHMSA-N 2 1 375.576 3.933 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2c(C)cccc2C(C)C)[C@@H](C)C1 ZINC000249486956 870844231 /nfs/dbraw/zinc/84/42/31/870844231.db2.gz YLKDEEYYRDAPRI-PZJWPPBQSA-N 2 1 389.584 3.784 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCSc3ccccc3F)CC2)C[C@@H](C)O1 ZINC000540246398 870851505 /nfs/dbraw/zinc/85/15/05/870851505.db2.gz HCGYHLLKNYJAHY-QZTJIDSGSA-N 2 1 396.572 3.508 20 0 GHADMP CC[C@]1(CO)CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@](CC)(CO)C3)c2)C1 ZINC000249599100 870871897 /nfs/dbraw/zinc/87/18/97/870871897.db2.gz XRTKDZYYBUHNKE-ZEQRLZLVSA-N 2 1 388.596 3.656 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC001168826196 870879657 /nfs/dbraw/zinc/87/96/57/870879657.db2.gz PHBCREDERIBAJV-IBGZPJMESA-N 2 1 396.453 3.639 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CN1C(=O)OC(C)(C)C ZINC001168833811 870890675 /nfs/dbraw/zinc/89/06/75/870890675.db2.gz LAFRECHNMSGVCB-WMZOPIPTSA-N 2 1 391.531 3.559 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168835612 870892438 /nfs/dbraw/zinc/89/24/38/870892438.db2.gz UMJPFLPMDFRTTE-MAUKXSAKSA-N 2 1 393.959 3.988 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1OC ZINC000463111415 870907543 /nfs/dbraw/zinc/90/75/43/870907543.db2.gz PFYRJQGDZOMBQY-NQIIRXRSSA-N 2 1 398.547 3.898 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1OC ZINC000463111415 870907551 /nfs/dbraw/zinc/90/75/51/870907551.db2.gz PFYRJQGDZOMBQY-NQIIRXRSSA-N 2 1 398.547 3.898 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000463114366 870912966 /nfs/dbraw/zinc/91/29/66/870912966.db2.gz RZZVLPSYTFFQIN-VGSWGCGISA-N 2 1 384.495 3.877 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000463114366 870912971 /nfs/dbraw/zinc/91/29/71/870912971.db2.gz RZZVLPSYTFFQIN-VGSWGCGISA-N 2 1 384.495 3.877 20 0 GHADMP COC(=O)[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000447060856 870938548 /nfs/dbraw/zinc/93/85/48/870938548.db2.gz RUEZDECPWOWHPN-HSZRJFAPSA-N 2 1 384.495 3.511 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463129957 870948191 /nfs/dbraw/zinc/94/81/91/870948191.db2.gz DQSIAQYJWMJHKV-YKSBVNFPSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463129957 870948197 /nfs/dbraw/zinc/94/81/97/870948197.db2.gz DQSIAQYJWMJHKV-YKSBVNFPSA-N 2 1 378.564 3.689 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccccc2F)CC1)CC1CC1 ZINC000538950078 870962170 /nfs/dbraw/zinc/96/21/70/870962170.db2.gz SNRIUDIZBVWRLK-UHFFFAOYSA-N 2 1 389.559 3.618 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001193248537 870973308 /nfs/dbraw/zinc/97/33/08/870973308.db2.gz FFRXDZLSECXCBB-NCXUSEDFSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884893 870975358 /nfs/dbraw/zinc/97/53/58/870975358.db2.gz SRQNMZIXRSKQRD-GBAJDQEWSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884893 870975367 /nfs/dbraw/zinc/97/53/67/870975367.db2.gz SRQNMZIXRSKQRD-GBAJDQEWSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884893 870975376 /nfs/dbraw/zinc/97/53/76/870975376.db2.gz SRQNMZIXRSKQRD-GBAJDQEWSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884893 870975391 /nfs/dbraw/zinc/97/53/91/870975391.db2.gz SRQNMZIXRSKQRD-GBAJDQEWSA-N 2 1 399.579 3.838 20 0 GHADMP COc1ccc(O[C@@H](C)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463206498 871135672 /nfs/dbraw/zinc/13/56/72/871135672.db2.gz PMCPSRGCYDVQHP-SFHVURJKSA-N 2 1 386.511 3.898 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000539056377 871191509 /nfs/dbraw/zinc/19/15/09/871191509.db2.gz JGKZFRGZILMRFI-GGPKGHCWSA-N 2 1 386.540 3.567 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3ccc(Br)cc3)CCOCC1)C2 ZINC001169119518 871211757 /nfs/dbraw/zinc/21/17/57/871211757.db2.gz SXGBKJRLVQMTIC-REPLKXPHSA-N 2 1 393.369 3.756 20 0 GHADMP CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001193649006 871215113 /nfs/dbraw/zinc/21/51/13/871215113.db2.gz KQULVHLWGMXNOZ-GMAHTHKFSA-N 2 1 385.596 3.978 20 0 GHADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129522 871219716 /nfs/dbraw/zinc/21/97/16/871219716.db2.gz ITZPEEAPHAROAM-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129522 871219732 /nfs/dbraw/zinc/21/97/32/871219732.db2.gz ITZPEEAPHAROAM-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129522 871219748 /nfs/dbraw/zinc/21/97/48/871219748.db2.gz ITZPEEAPHAROAM-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129522 871219764 /nfs/dbraw/zinc/21/97/64/871219764.db2.gz ITZPEEAPHAROAM-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129522 871219773 /nfs/dbraw/zinc/21/97/73/871219773.db2.gz ITZPEEAPHAROAM-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000539084700 871228615 /nfs/dbraw/zinc/22/86/15/871228615.db2.gz VGBIPEOQBRGTDZ-HKUYNNGSSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)CC[N@H+]1Cc1ccccc1 ZINC000539084700 871228633 /nfs/dbraw/zinc/22/86/33/871228633.db2.gz VGBIPEOQBRGTDZ-HKUYNNGSSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241639 871239995 /nfs/dbraw/zinc/23/99/95/871239995.db2.gz CWWVZCUOKAOLEC-FAYOUJPWSA-N 2 1 391.559 3.819 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241639 871240008 /nfs/dbraw/zinc/24/00/08/871240008.db2.gz CWWVZCUOKAOLEC-FAYOUJPWSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](Cc1cccc2[nH]ccc21)CC(O)C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000447317001 871368521 /nfs/dbraw/zinc/36/85/21/871368521.db2.gz AXADHOIQPBMJJY-UHFFFAOYSA-N 2 1 376.504 3.574 20 0 GHADMP C[NH+](Cc1cccc2[nH]ccc21)CC(O)C[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000447317001 871368535 /nfs/dbraw/zinc/36/85/35/871368535.db2.gz AXADHOIQPBMJJY-UHFFFAOYSA-N 2 1 376.504 3.574 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000103190971 871426559 /nfs/dbraw/zinc/42/65/59/871426559.db2.gz NNOUWGJYMIADMB-QHCPKHFHSA-N 2 1 394.563 3.849 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(C)c1I ZINC001205653376 871502455 /nfs/dbraw/zinc/50/24/55/871502455.db2.gz UARACJNHMAWKOK-WBMJQRKESA-N 2 1 386.321 3.715 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4cccc(N5CCOCC5)c4)[C@@H]3C2)cc1 ZINC000550857477 882518836 /nfs/dbraw/zinc/51/88/36/882518836.db2.gz UHOMKROZFHAHEN-ICDZXHCJSA-N 2 1 391.559 3.523 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4cccc(N5CCOCC5)c4)[C@H]3C2)cc1 ZINC000550857476 882519222 /nfs/dbraw/zinc/51/92/22/882519222.db2.gz UHOMKROZFHAHEN-HVCNVCAESA-N 2 1 391.559 3.523 20 0 GHADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001194238215 871576912 /nfs/dbraw/zinc/57/69/12/871576912.db2.gz AWZMTPVTBBIMDO-UHFFFAOYSA-N 2 1 396.413 3.643 20 0 GHADMP Cc1ccc(N[C@@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC001169520602 871595131 /nfs/dbraw/zinc/59/51/31/871595131.db2.gz NJZOQSLNORIGFH-NFBKMPQASA-N 2 1 395.547 3.928 20 0 GHADMP CCCN1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)CC1 ZINC000539299416 871625589 /nfs/dbraw/zinc/62/55/89/871625589.db2.gz YZPOPYJNCOWCEM-NHCUHLMSSA-N 2 1 387.612 3.660 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCc4c3cnn4C)cc2)C[C@H]1C ZINC000539299445 871625843 /nfs/dbraw/zinc/62/58/43/871625843.db2.gz ZGKHXXMVWOSIQU-SELNLUPBSA-N 2 1 396.579 3.596 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC001169556852 871636337 /nfs/dbraw/zinc/63/63/37/871636337.db2.gz USFCVSZGLMVXND-VQIMIIECSA-N 2 1 388.474 3.854 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000539307128 871699259 /nfs/dbraw/zinc/69/92/59/871699259.db2.gz QJYMKZKWYFRGKY-DUXKGJEZSA-N 2 1 378.582 3.506 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206014001 871703565 /nfs/dbraw/zinc/70/35/65/871703565.db2.gz UTJLPAJBWLRIDI-AAEUAGOBSA-N 2 1 375.738 3.918 20 0 GHADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000539307575 871704240 /nfs/dbraw/zinc/70/42/40/871704240.db2.gz NIPAUJVUKSIKMF-UGSOOPFHSA-N 2 1 399.398 3.668 20 0 GHADMP CCC(=O)Nc1cc(-n2cc(CC[NH3+])c3ccc(OC(F)(F)F)cc32)cc[nH+]1 ZINC001169613431 871707503 /nfs/dbraw/zinc/70/75/03/871707503.db2.gz LGHKLEFADHLPHE-UHFFFAOYSA-N 2 1 392.381 3.774 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164619 871722159 /nfs/dbraw/zinc/72/21/59/871722159.db2.gz NTNNQOZGEVKHJU-NTKDMRAZSA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164619 871722173 /nfs/dbraw/zinc/72/21/73/871722173.db2.gz NTNNQOZGEVKHJU-NTKDMRAZSA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1)C1CC1 ZINC000462164619 871722189 /nfs/dbraw/zinc/72/21/89/871722189.db2.gz NTNNQOZGEVKHJU-NTKDMRAZSA-N 2 1 391.559 3.921 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001169830984 871898652 /nfs/dbraw/zinc/89/86/52/871898652.db2.gz OQJRXIDTUOTEMY-HSZRJFAPSA-N 2 1 391.559 3.770 20 0 GHADMP CN(CCC[N@@H+](C)Cc1cc(Br)c2ccccc2c1)CC[NH+](C)C ZINC001194882589 872007532 /nfs/dbraw/zinc/00/75/32/872007532.db2.gz JPPNVSAJOSPIKF-UHFFFAOYSA-N 2 1 392.385 3.918 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318517 872067284 /nfs/dbraw/zinc/06/72/84/872067284.db2.gz BVMJGBXAVPUWBQ-XXBNENTESA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000093318517 872067306 /nfs/dbraw/zinc/06/73/06/872067306.db2.gz BVMJGBXAVPUWBQ-XXBNENTESA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000093318517 872067328 /nfs/dbraw/zinc/06/73/28/872067328.db2.gz BVMJGBXAVPUWBQ-XXBNENTESA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000093318517 872067348 /nfs/dbraw/zinc/06/73/48/872067348.db2.gz BVMJGBXAVPUWBQ-XXBNENTESA-N 2 1 375.520 3.752 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(C2CCCC2)nc1C ZINC000463618057 872191959 /nfs/dbraw/zinc/19/19/59/872191959.db2.gz KIKMAMVVMXZLEO-GOSISDBHSA-N 2 1 392.613 3.597 20 0 GHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000175506197 882589768 /nfs/dbraw/zinc/58/97/68/882589768.db2.gz DXPOTCCICGTCLS-AZUAARDMSA-N 2 1 392.613 3.504 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H]2CCC[C@H]21 ZINC000552251046 872269310 /nfs/dbraw/zinc/26/93/10/872269310.db2.gz JJYDWOCUKMYCSQ-JOCLIGHLSA-N 2 1 392.385 3.738 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1I ZINC000552258263 872311015 /nfs/dbraw/zinc/31/10/15/872311015.db2.gz BBPBVWFZAATGDP-USXIJHARSA-N 2 1 384.305 3.562 20 0 GHADMP C[C@H](O)C[C@@H]1CCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447836015 872375631 /nfs/dbraw/zinc/37/56/31/872375631.db2.gz VYDYKIMWMKNDEI-TZYAJKAJSA-N 2 1 388.596 3.937 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000552319276 872433286 /nfs/dbraw/zinc/43/32/86/872433286.db2.gz IEYLBEVCKJPXOO-UZLBHIALSA-N 2 1 384.511 3.849 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000465563427 872437908 /nfs/dbraw/zinc/43/79/08/872437908.db2.gz GVHMIHSBQMMQIY-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(F)c(OC)c3)cc2)CC1 ZINC000152975727 873031503 /nfs/dbraw/zinc/03/15/03/873031503.db2.gz AFECUDHWLPIQSO-GOSISDBHSA-N 2 1 385.527 3.823 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000768222174 873174934 /nfs/dbraw/zinc/17/49/34/873174934.db2.gz XGEXLQSFKXRGQB-RBUKOAKNSA-N 2 1 381.605 3.980 20 0 GHADMP Cc1nn(C)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1Br ZINC000448345374 873269217 /nfs/dbraw/zinc/26/92/17/873269217.db2.gz SALDQUJAWVTBOB-UHFFFAOYSA-N 2 1 383.378 3.579 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O)C1CCCCC1 ZINC000541306097 873328218 /nfs/dbraw/zinc/32/82/18/873328218.db2.gz CJZSKZNBFIFRRB-HSZRJFAPSA-N 2 1 397.538 3.776 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502774 873341090 /nfs/dbraw/zinc/34/10/90/873341090.db2.gz POEUFSZIOIBHNV-VXKWHMMOSA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502774 873341100 /nfs/dbraw/zinc/34/11/00/873341100.db2.gz POEUFSZIOIBHNV-VXKWHMMOSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502774 873341113 /nfs/dbraw/zinc/34/11/13/873341113.db2.gz POEUFSZIOIBHNV-VXKWHMMOSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502774 873341122 /nfs/dbraw/zinc/34/11/22/873341122.db2.gz POEUFSZIOIBHNV-VXKWHMMOSA-N 2 1 390.531 3.989 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000448420843 873355571 /nfs/dbraw/zinc/35/55/71/873355571.db2.gz HTBLAPIOFOFQME-NHCUHLMSSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000448420843 873355583 /nfs/dbraw/zinc/35/55/83/873355583.db2.gz HTBLAPIOFOFQME-NHCUHLMSSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000448420843 873355598 /nfs/dbraw/zinc/35/55/98/873355598.db2.gz HTBLAPIOFOFQME-NHCUHLMSSA-N 2 1 389.559 3.522 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000768518340 873378337 /nfs/dbraw/zinc/37/83/37/873378337.db2.gz BNSUOMPKEMKIEA-CVDCTZTESA-N 2 1 382.548 3.763 20 0 GHADMP Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C2)cc1 ZINC000541389008 873459158 /nfs/dbraw/zinc/45/91/58/873459158.db2.gz LWBBVGLOCWQWHA-XMMPIXPASA-N 2 1 391.559 3.697 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H]1C ZINC000541433601 873571763 /nfs/dbraw/zinc/57/17/63/873571763.db2.gz HGDXHJVELKHYCS-SXLOBPIMSA-N 2 1 386.584 3.824 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H]1C ZINC000541433601 873571772 /nfs/dbraw/zinc/57/17/72/873571772.db2.gz HGDXHJVELKHYCS-SXLOBPIMSA-N 2 1 386.584 3.824 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC000508881076 873612913 /nfs/dbraw/zinc/61/29/13/873612913.db2.gz MXRVJCXGXLHNPU-IIZPIQPGSA-N 2 1 386.584 3.643 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C(=O)N1CCCC1 ZINC000528015957 873913834 /nfs/dbraw/zinc/91/38/34/873913834.db2.gz MFASWMYCJHFJOY-BDTNDASRSA-N 2 1 383.580 3.668 20 0 GHADMP CCOC(=O)N(C)C1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000769309475 873957137 /nfs/dbraw/zinc/95/71/37/873957137.db2.gz OMQVYZKJXGVSTN-UHFFFAOYSA-N 2 1 375.557 3.697 20 0 GHADMP CCOC(=O)N(C)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000769309475 873957150 /nfs/dbraw/zinc/95/71/50/873957150.db2.gz OMQVYZKJXGVSTN-UHFFFAOYSA-N 2 1 375.557 3.697 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000464563557 874083835 /nfs/dbraw/zinc/08/38/35/874083835.db2.gz MCGYZBOPGXOZGP-OFNKIYASSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@]1([C@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892508 874093995 /nfs/dbraw/zinc/09/39/95/874093995.db2.gz YFOPOWDLNRMXIV-UPVQGACJSA-N 2 1 399.579 3.542 20 0 GHADMP C[C@H](C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000769677044 874227919 /nfs/dbraw/zinc/22/79/19/874227919.db2.gz DBGOLQZAFUSDJY-QZTJIDSGSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000449054116 874428183 /nfs/dbraw/zinc/42/81/83/874428183.db2.gz OAFCCWLRVRCIKA-LJQANCHMSA-N 2 1 394.563 3.694 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000528393532 874510893 /nfs/dbraw/zinc/51/08/93/874510893.db2.gz GHJACEQZFSQIBU-HZPDHXFCSA-N 2 1 385.474 3.812 20 0 GHADMP CCn1nnc(C)c1CNC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159297 874538616 /nfs/dbraw/zinc/53/86/16/874538616.db2.gz ZBRZBQHALGRJEK-LPHOPBHVSA-N 2 1 395.473 3.798 20 0 GHADMP C[C@H](C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172781 874551581 /nfs/dbraw/zinc/55/15/81/874551581.db2.gz DMWLRNUXFQIQKP-MOPGFXCFSA-N 2 1 388.577 3.694 20 0 GHADMP C[C@@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449326747 874709383 /nfs/dbraw/zinc/70/93/83/874709383.db2.gz YUMDFBYURQOMCA-RCCFBDPRSA-N 2 1 396.522 3.659 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528616422 874801614 /nfs/dbraw/zinc/80/16/14/874801614.db2.gz MAASWDNAGJWFLY-SFTDATJTSA-N 2 1 389.971 3.781 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528616422 874801621 /nfs/dbraw/zinc/80/16/21/874801621.db2.gz MAASWDNAGJWFLY-SFTDATJTSA-N 2 1 389.971 3.781 20 0 GHADMP COc1nccnc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449415659 874811478 /nfs/dbraw/zinc/81/14/78/874811478.db2.gz PYRMMTRYYSMDEK-NRFANRHFSA-N 2 1 380.536 3.608 20 0 GHADMP COc1nccnc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449415659 874811488 /nfs/dbraw/zinc/81/14/88/874811488.db2.gz PYRMMTRYYSMDEK-NRFANRHFSA-N 2 1 380.536 3.608 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001199188460 874843632 /nfs/dbraw/zinc/84/36/32/874843632.db2.gz DALBXCZFKURBMN-HSZRJFAPSA-N 2 1 383.584 3.549 20 0 GHADMP C[NH+](C)C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CCCCCC1 ZINC000491332664 874871189 /nfs/dbraw/zinc/87/11/89/874871189.db2.gz IQJQRBRJVXRVBX-UHFFFAOYSA-N 2 1 391.466 3.589 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000528689762 874895845 /nfs/dbraw/zinc/89/58/45/874895845.db2.gz GJUHZOVJSZGZIW-HSZRJFAPSA-N 2 1 392.547 3.707 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199371672 874950590 /nfs/dbraw/zinc/95/05/90/874950590.db2.gz YCIPGMCXQSAWHH-QFIPXVFZSA-N 2 1 392.547 3.712 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199371672 874950595 /nfs/dbraw/zinc/95/05/95/874950595.db2.gz YCIPGMCXQSAWHH-QFIPXVFZSA-N 2 1 392.547 3.712 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152652 875046165 /nfs/dbraw/zinc/04/61/65/875046165.db2.gz JOYWWNZZVUHENX-DNVCBOLYSA-N 2 1 381.358 3.509 20 0 GHADMP CCC[N@H+](Cc1cnn(CC(C)C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542166824 875069231 /nfs/dbraw/zinc/06/92/31/875069231.db2.gz DGGWYVNVGZDIET-UHFFFAOYSA-N 2 1 384.572 3.827 20 0 GHADMP CCC[N@@H+](Cc1cnn(CC(C)C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542166824 875069234 /nfs/dbraw/zinc/06/92/34/875069234.db2.gz DGGWYVNVGZDIET-UHFFFAOYSA-N 2 1 384.572 3.827 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC001199640556 875097306 /nfs/dbraw/zinc/09/73/06/875097306.db2.gz VHISRSURCIIETE-UHFFFAOYSA-N 2 1 381.520 3.891 20 0 GHADMP CC1CCC(N(C)C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000303231141 875319555 /nfs/dbraw/zinc/31/95/55/875319555.db2.gz YNTHGKSWKSBNNB-UHFFFAOYSA-N 2 1 385.596 3.868 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[NH+]2C)CC1 ZINC000528958104 875344783 /nfs/dbraw/zinc/34/47/83/875344783.db2.gz ZCGPFZIBROZOAT-DHIUTWEWSA-N 2 1 397.607 3.868 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000528958104 875344801 /nfs/dbraw/zinc/34/48/01/875344801.db2.gz ZCGPFZIBROZOAT-DHIUTWEWSA-N 2 1 397.607 3.868 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000528958104 875344820 /nfs/dbraw/zinc/34/48/20/875344820.db2.gz ZCGPFZIBROZOAT-DHIUTWEWSA-N 2 1 397.607 3.868 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCC1 ZINC000542380117 875452687 /nfs/dbraw/zinc/45/26/87/875452687.db2.gz ZGGVJYCXGGNROK-LPHOPBHVSA-N 2 1 380.964 3.506 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)c1=O ZINC000491436795 875693455 /nfs/dbraw/zinc/69/34/55/875693455.db2.gz XTSAWMBYJGCQON-UHFFFAOYSA-N 2 1 377.532 3.786 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1=O ZINC000491436795 875693464 /nfs/dbraw/zinc/69/34/64/875693464.db2.gz XTSAWMBYJGCQON-UHFFFAOYSA-N 2 1 377.532 3.786 20 0 GHADMP C[NH+]1CCN(C(=O)C[C@H]2CC3(CC[NH+](CC(C)(C)C)CC3)c3ccccc32)CC1 ZINC001201434552 875704843 /nfs/dbraw/zinc/70/48/43/875704843.db2.gz BPCQHGWDEAFMNV-FQEVSTJZSA-N 2 1 397.607 3.718 20 0 GHADMP CN(Cc1c[nH]nc1-c1ccc(Br)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000529524359 876282791 /nfs/dbraw/zinc/28/27/91/876282791.db2.gz SUHKWPDLBHERCI-GFCCVEGCSA-N 2 1 383.359 3.674 20 0 GHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000529524359 876282802 /nfs/dbraw/zinc/28/28/02/876282802.db2.gz SUHKWPDLBHERCI-GFCCVEGCSA-N 2 1 383.359 3.674 20 0 GHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)C[C@@H]1CCC[NH+](C)C1 ZINC000529524359 876282805 /nfs/dbraw/zinc/28/28/05/876282805.db2.gz SUHKWPDLBHERCI-GFCCVEGCSA-N 2 1 383.359 3.674 20 0 GHADMP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192925572 883048537 /nfs/dbraw/zinc/04/85/37/883048537.db2.gz OZELFRAFBNSIOW-QHCPKHFHSA-N 2 1 395.566 3.944 20 0 GHADMP C[NH+](C)Cc1cnc(CNC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000850402515 876882366 /nfs/dbraw/zinc/88/23/66/876882366.db2.gz MUFSADJMAAUKCI-IBGZPJMESA-N 2 1 384.593 3.597 20 0 GHADMP C[NH+](C)Cc1cnc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000850402515 876882373 /nfs/dbraw/zinc/88/23/73/876882373.db2.gz MUFSADJMAAUKCI-IBGZPJMESA-N 2 1 384.593 3.597 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000537670326 883077900 /nfs/dbraw/zinc/07/79/00/883077900.db2.gz HEAGIPSBSBQZIL-NRFANRHFSA-N 2 1 386.584 3.813 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509651 876981797 /nfs/dbraw/zinc/98/17/97/876981797.db2.gz SJHYMPFREWNTDB-WZONZLPQSA-N 2 1 390.531 3.598 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000174431827 877022261 /nfs/dbraw/zinc/02/22/61/877022261.db2.gz FGULNBGHQCLPPV-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000850576255 877043968 /nfs/dbraw/zinc/04/39/68/877043968.db2.gz IODVOYIFGJLNCD-CVDCTZTESA-N 2 1 392.547 3.607 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C[NH+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000450899420 877062453 /nfs/dbraw/zinc/06/24/53/877062453.db2.gz DLUKQZNLMUVEAV-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP CC[C@@H]1C[NH+](Cc2ccc(F)c(C[N@@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000450899420 877062468 /nfs/dbraw/zinc/06/24/68/877062468.db2.gz DLUKQZNLMUVEAV-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP CC[C@@H]1C[NH+](Cc2ccc(F)c(C[N@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000450899420 877062484 /nfs/dbraw/zinc/06/24/84/877062484.db2.gz DLUKQZNLMUVEAV-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134895973 883095577 /nfs/dbraw/zinc/09/55/77/883095577.db2.gz PNGDLSDACJVOJR-NSISKUIASA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134895973 883095589 /nfs/dbraw/zinc/09/55/89/883095589.db2.gz PNGDLSDACJVOJR-NSISKUIASA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134895973 883095604 /nfs/dbraw/zinc/09/56/04/883095604.db2.gz PNGDLSDACJVOJR-NSISKUIASA-N 2 1 382.470 3.558 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)s1 ZINC000517103333 877210482 /nfs/dbraw/zinc/21/04/82/877210482.db2.gz YNFMDGOTIFPMIL-VSKRKVRLSA-N 2 1 399.604 3.855 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)s1 ZINC000517103333 877210500 /nfs/dbraw/zinc/21/05/00/877210500.db2.gz YNFMDGOTIFPMIL-VSKRKVRLSA-N 2 1 399.604 3.855 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000174882435 877305277 /nfs/dbraw/zinc/30/52/77/877305277.db2.gz SRQIRAMRCCYKRK-NOTZXAQLSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1)c1ccccc1 ZINC000174891505 877312985 /nfs/dbraw/zinc/31/29/85/877312985.db2.gz RVEDCXWVPOOXQP-TYPHKJRUSA-N 2 1 384.568 3.528 20 0 GHADMP Brc1cccc([C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CCOCC2)c1 ZINC000530217623 877327146 /nfs/dbraw/zinc/32/71/46/877327146.db2.gz UMUJPKVMVHYWNR-QZTJIDSGSA-N 2 1 379.342 3.791 20 0 GHADMP Clc1ccc(Br)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530247676 877328538 /nfs/dbraw/zinc/32/85/38/877328538.db2.gz BSWSGNXYZTWJRS-MRXNPFEDSA-N 2 1 387.749 3.693 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2C(F)(F)F)[C@H](C)C1 ZINC000787305091 877330718 /nfs/dbraw/zinc/33/07/18/877330718.db2.gz QQCHRVUOWQWCQU-UKRRQHHQSA-N 2 1 393.881 3.980 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2C(F)(F)F)[C@H](C)C1 ZINC000787305091 877330732 /nfs/dbraw/zinc/33/07/32/877330732.db2.gz QQCHRVUOWQWCQU-UKRRQHHQSA-N 2 1 393.881 3.980 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)Cc1ccccc1 ZINC000642627275 912227394 /nfs/dbraw/zinc/22/73/94/912227394.db2.gz SMQVTEKWHKWKRG-OAQYLSRUSA-N 2 1 398.551 3.628 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001183066164 912258026 /nfs/dbraw/zinc/25/80/26/912258026.db2.gz VHUXNXAMXYHMRU-OWCLPIDISA-N 2 1 377.520 3.587 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001183066164 912258055 /nfs/dbraw/zinc/25/80/55/912258055.db2.gz VHUXNXAMXYHMRU-OWCLPIDISA-N 2 1 377.520 3.587 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000175393453 877675458 /nfs/dbraw/zinc/67/54/58/877675458.db2.gz RLOSCSKLMXUGRA-LJQANCHMSA-N 2 1 397.567 3.846 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000175393453 877675472 /nfs/dbraw/zinc/67/54/72/877675472.db2.gz RLOSCSKLMXUGRA-LJQANCHMSA-N 2 1 397.567 3.846 20 0 GHADMP C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000551814559 877880488 /nfs/dbraw/zinc/88/04/88/877880488.db2.gz XYZSJCSEGJORFO-IBGZPJMESA-N 2 1 378.520 3.723 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248637379 912297206 /nfs/dbraw/zinc/29/72/06/912297206.db2.gz ADWDFJNGNSCBBL-NPPFBWRTSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000477661942 878007049 /nfs/dbraw/zinc/00/70/49/878007049.db2.gz FPVUHWSRPKSJQC-HXUWFJFHSA-N 2 1 377.960 3.639 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000477661942 878007067 /nfs/dbraw/zinc/00/70/67/878007067.db2.gz FPVUHWSRPKSJQC-HXUWFJFHSA-N 2 1 377.960 3.639 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000477661942 878007086 /nfs/dbraw/zinc/00/70/86/878007086.db2.gz FPVUHWSRPKSJQC-HXUWFJFHSA-N 2 1 377.960 3.639 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000477661942 878007088 /nfs/dbraw/zinc/00/70/88/878007088.db2.gz FPVUHWSRPKSJQC-HXUWFJFHSA-N 2 1 377.960 3.639 20 0 GHADMP CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538660 878098087 /nfs/dbraw/zinc/09/80/87/878098087.db2.gz TWXCGDYHDCWGNL-GCJKJVERSA-N 2 1 393.522 3.682 20 0 GHADMP O[C@@H]1C[C@@H](c2ccccc2)[NH+](CCCCC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)C1 ZINC000411940953 878142709 /nfs/dbraw/zinc/14/27/09/878142709.db2.gz LKWGCTLNJPMFRN-VPBXCIAMSA-N 2 1 394.559 3.773 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[NH+](CCCCC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)C1 ZINC000411940953 878142722 /nfs/dbraw/zinc/14/27/22/878142722.db2.gz LKWGCTLNJPMFRN-VPBXCIAMSA-N 2 1 394.559 3.773 20 0 GHADMP O[C@@H]1C[C@H](c2ccccc2)[NH+](CCCCC[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)C1 ZINC000411940953 878142731 /nfs/dbraw/zinc/14/27/31/878142731.db2.gz LKWGCTLNJPMFRN-VPBXCIAMSA-N 2 1 394.559 3.773 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000530611099 878189346 /nfs/dbraw/zinc/18/93/46/878189346.db2.gz KWLOWIKJPXAFAC-HSZRJFAPSA-N 2 1 383.580 3.954 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000788669928 878262273 /nfs/dbraw/zinc/26/22/73/878262273.db2.gz GPHNSQVRLKCHGL-SFTDATJTSA-N 2 1 387.568 3.998 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176489778 878282243 /nfs/dbraw/zinc/28/22/43/878282243.db2.gz MALMLWTXCQUGAT-UHFFFAOYSA-N 2 1 392.632 3.937 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1)CC1CC1 ZINC000537817929 878337714 /nfs/dbraw/zinc/33/77/14/878337714.db2.gz MHHXXUBCQUVZLC-JOCHJYFZSA-N 2 1 375.601 3.754 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1)CC1CC1 ZINC000537817929 878337728 /nfs/dbraw/zinc/33/77/28/878337728.db2.gz MHHXXUBCQUVZLC-JOCHJYFZSA-N 2 1 375.601 3.754 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1)CC1CC1 ZINC000537817929 878337741 /nfs/dbraw/zinc/33/77/41/878337741.db2.gz MHHXXUBCQUVZLC-JOCHJYFZSA-N 2 1 375.601 3.754 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000788817430 878352390 /nfs/dbraw/zinc/35/23/90/878352390.db2.gz LDEYNJSVJZAVDR-OALUTQOASA-N 2 1 376.545 3.739 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1)CC1CC1 ZINC000537847106 878387134 /nfs/dbraw/zinc/38/71/34/878387134.db2.gz PNGGZDAHJDWPEX-UHFFFAOYSA-N 2 1 379.495 3.737 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1)CC1CC1 ZINC000537847106 878387148 /nfs/dbraw/zinc/38/71/48/878387148.db2.gz PNGGZDAHJDWPEX-UHFFFAOYSA-N 2 1 379.495 3.737 20 0 GHADMP CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(C[NH+]3CC[C@@H](O)CC(C)(C)C3)cc2)C1 ZINC000451809887 878496714 /nfs/dbraw/zinc/49/67/14/878496714.db2.gz NAXBUQMJPPPNPT-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](O)CC(C)(C)C3)cc2)C1 ZINC000451809887 878496721 /nfs/dbraw/zinc/49/67/21/878496721.db2.gz NAXBUQMJPPPNPT-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](O)CC(C)(C)C3)cc2)C1 ZINC000451809887 878496727 /nfs/dbraw/zinc/49/67/27/878496727.db2.gz NAXBUQMJPPPNPT-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP C(CCCC[NH+]1CC[C@@H]2COC[C@@H]2C1)CCCC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852664765 878502158 /nfs/dbraw/zinc/50/21/58/878502158.db2.gz CUBHRCOSRMUTMJ-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP C(CCCC[NH+]1CC[C@H]2COC[C@H]2C1)CCCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664765 878502167 /nfs/dbraw/zinc/50/21/67/878502167.db2.gz CUBHRCOSRMUTMJ-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP C(CCCC[NH+]1CC[C@H]2COC[C@H]2C1)CCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664765 878502181 /nfs/dbraw/zinc/50/21/81/878502181.db2.gz CUBHRCOSRMUTMJ-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000245736528 878502265 /nfs/dbraw/zinc/50/22/65/878502265.db2.gz QXYRPEPSESSFSE-WKCHPHFGSA-N 2 1 394.515 3.767 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1OC ZINC000245736528 878502281 /nfs/dbraw/zinc/50/22/81/878502281.db2.gz QXYRPEPSESSFSE-WKCHPHFGSA-N 2 1 394.515 3.767 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245775952 878576864 /nfs/dbraw/zinc/57/68/64/878576864.db2.gz YBLRXKUZTCQYBC-BXXSPATCSA-N 2 1 380.532 3.520 20 0 GHADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(SC(F)F)cc1 ZINC000852754060 878579232 /nfs/dbraw/zinc/57/92/32/878579232.db2.gz NRYFEOMYEIWOJA-HNNXBMFYSA-N 2 1 383.508 3.651 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000180176443 878615626 /nfs/dbraw/zinc/61/56/26/878615626.db2.gz DKPUNIIFYQIYCA-RBUKOAKNSA-N 2 1 399.539 3.749 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537967718 878638218 /nfs/dbraw/zinc/63/82/18/878638218.db2.gz WWAHRUXISDOHER-CVDCTZTESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537967718 878638230 /nfs/dbraw/zinc/63/82/30/878638230.db2.gz WWAHRUXISDOHER-CVDCTZTESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000177504467 878735588 /nfs/dbraw/zinc/73/55/88/878735588.db2.gz VOGTYSQWYZZARX-IBGZPJMESA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044194 878751782 /nfs/dbraw/zinc/75/17/82/878751782.db2.gz BBTNNBJNJDWJHY-KSZLIROESA-N 2 1 380.960 3.991 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044194 878751794 /nfs/dbraw/zinc/75/17/94/878751794.db2.gz BBTNNBJNJDWJHY-KSZLIROESA-N 2 1 380.960 3.991 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)[C@H](C)C2 ZINC000245988690 878830128 /nfs/dbraw/zinc/83/01/28/878830128.db2.gz QLVTZZXVZMGBFO-IHLLOCCUSA-N 2 1 391.559 3.715 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000530952815 878831346 /nfs/dbraw/zinc/83/13/46/878831346.db2.gz SDMYOBJQYPPFMI-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000530952815 878831358 /nfs/dbraw/zinc/83/13/58/878831358.db2.gz SDMYOBJQYPPFMI-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000530952815 878831373 /nfs/dbraw/zinc/83/13/73/878831373.db2.gz SDMYOBJQYPPFMI-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000177839532 878881383 /nfs/dbraw/zinc/88/13/83/878881383.db2.gz JHSVONDRUFFISS-TUSQITKMSA-N 2 1 396.575 3.736 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000177839532 878881401 /nfs/dbraw/zinc/88/14/01/878881401.db2.gz JHSVONDRUFFISS-TUSQITKMSA-N 2 1 396.575 3.736 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000177839532 878881413 /nfs/dbraw/zinc/88/14/13/878881413.db2.gz JHSVONDRUFFISS-TUSQITKMSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc2c(C)cc(N3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)[nH+]c2c1 ZINC000460956114 878904131 /nfs/dbraw/zinc/90/41/31/878904131.db2.gz HBHUMDBSMUKYQN-UHFFFAOYSA-N 2 1 396.579 3.772 20 0 GHADMP Cc1ccc2c(C)cc(NCc3ccccc3C[NH+]3CCC(O)CC3)[nH+]c2c1 ZINC000460960554 878918276 /nfs/dbraw/zinc/91/82/76/878918276.db2.gz QCHQAMXANAZGCW-UHFFFAOYSA-N 2 1 375.516 3.842 20 0 GHADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241079 878925182 /nfs/dbraw/zinc/92/51/82/878925182.db2.gz UHMKZMZXXMZORA-AZUAARDMSA-N 2 1 397.563 3.553 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531061533 879003278 /nfs/dbraw/zinc/00/32/78/879003278.db2.gz WWBCZZILDWKVCM-LPHOPBHVSA-N 2 1 399.501 3.889 20 0 GHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCN(CC4CC4)CC3)cc2)C[C@H]1C ZINC000538197185 879018487 /nfs/dbraw/zinc/01/84/87/879018487.db2.gz KTROTKGUTTXCAS-NHCUHLMSSA-N 2 1 399.623 3.660 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000669999586 879095797 /nfs/dbraw/zinc/09/57/97/879095797.db2.gz XBBANNQUXZTOPV-NRFANRHFSA-N 2 1 375.944 3.673 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000246176913 879113019 /nfs/dbraw/zinc/11/30/19/879113019.db2.gz JWCVVJOOSLSDBG-XUVXKRRUSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000531143641 879230380 /nfs/dbraw/zinc/23/03/80/879230380.db2.gz FXJSJIWJUWUTGW-TZMCWYRMSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000531143641 879230396 /nfs/dbraw/zinc/23/03/96/879230396.db2.gz FXJSJIWJUWUTGW-TZMCWYRMSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)cc2Br)CC[NH+]1C ZINC000531143641 879230416 /nfs/dbraw/zinc/23/04/16/879230416.db2.gz FXJSJIWJUWUTGW-TZMCWYRMSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)cc2Br)CC[NH+]1C ZINC000531143641 879230433 /nfs/dbraw/zinc/23/04/33/879230433.db2.gz FXJSJIWJUWUTGW-TZMCWYRMSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@@H]1CCCC[C@H]1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531188913 879278435 /nfs/dbraw/zinc/27/84/35/879278435.db2.gz HJFPVCHAVSIZPV-CTNGQTDRSA-N 2 1 377.617 3.858 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000616999893 879305289 /nfs/dbraw/zinc/30/52/89/879305289.db2.gz PPYIMCSVGFVDFW-PKOBYXMFSA-N 2 1 386.584 3.730 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000616999893 879305303 /nfs/dbraw/zinc/30/53/03/879305303.db2.gz PPYIMCSVGFVDFW-PKOBYXMFSA-N 2 1 386.584 3.730 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC3 ZINC000493251765 879351544 /nfs/dbraw/zinc/35/15/44/879351544.db2.gz VIEQJXWSHLTZKI-NLFFAJNJSA-N 2 1 389.543 3.560 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC3 ZINC000493251765 879351555 /nfs/dbraw/zinc/35/15/55/879351555.db2.gz VIEQJXWSHLTZKI-NLFFAJNJSA-N 2 1 389.543 3.560 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)CC3 ZINC000493251759 879352199 /nfs/dbraw/zinc/35/21/99/879352199.db2.gz VIEQJXWSHLTZKI-CPJSRVTESA-N 2 1 389.543 3.560 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC3 ZINC000493251759 879352219 /nfs/dbraw/zinc/35/22/19/879352219.db2.gz VIEQJXWSHLTZKI-CPJSRVTESA-N 2 1 389.543 3.560 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000246330753 879402781 /nfs/dbraw/zinc/40/27/81/879402781.db2.gz BHDYGUBHDNGZTL-VQTJNVASSA-N 2 1 390.616 3.689 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000538393716 879411505 /nfs/dbraw/zinc/41/15/05/879411505.db2.gz QLXBOBFQSFQQAA-HXUWFJFHSA-N 2 1 377.548 3.835 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246351717 879445609 /nfs/dbraw/zinc/44/56/09/879445609.db2.gz HSNZFJTXIXMWQD-XPWALMASSA-N 2 1 384.564 3.747 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000246415274 879540851 /nfs/dbraw/zinc/54/08/51/879540851.db2.gz SFVZJUVCLULCEK-AJYBTWMASA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246415274 879540864 /nfs/dbraw/zinc/54/08/64/879540864.db2.gz SFVZJUVCLULCEK-AJYBTWMASA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246415274 879540873 /nfs/dbraw/zinc/54/08/73/879540873.db2.gz SFVZJUVCLULCEK-AJYBTWMASA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1cccc2ccccc21 ZINC000139824663 879808302 /nfs/dbraw/zinc/80/83/02/879808302.db2.gz OJEIZWVTZTWHAD-DSXMGRQXSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1cccc2ccccc21 ZINC000139824663 879808310 /nfs/dbraw/zinc/80/83/10/879808310.db2.gz OJEIZWVTZTWHAD-DSXMGRQXSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1cccc2ccccc21 ZINC000139824663 879808327 /nfs/dbraw/zinc/80/83/27/879808327.db2.gz OJEIZWVTZTWHAD-DSXMGRQXSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc2ccccc21 ZINC000139824663 879808343 /nfs/dbraw/zinc/80/83/43/879808343.db2.gz OJEIZWVTZTWHAD-DSXMGRQXSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1cccc2ccccc21 ZINC000139824663 879808358 /nfs/dbraw/zinc/80/83/58/879808358.db2.gz OJEIZWVTZTWHAD-DSXMGRQXSA-N 2 1 379.548 3.822 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246823980 879816817 /nfs/dbraw/zinc/81/68/17/879816817.db2.gz NWAGABQCTMBUHD-KQKOIIKASA-N 2 1 383.580 3.763 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246860892 879830313 /nfs/dbraw/zinc/83/03/13/879830313.db2.gz BYYSQZMOLQYDNW-HZPDHXFCSA-N 2 1 396.373 3.876 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC[C@@H]21 ZINC000140018339 879858419 /nfs/dbraw/zinc/85/84/19/879858419.db2.gz RDNKRVRVACVJKJ-QTEQDKRBSA-N 2 1 397.588 3.760 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC[C@@H]21 ZINC000140018339 879858428 /nfs/dbraw/zinc/85/84/28/879858428.db2.gz RDNKRVRVACVJKJ-QTEQDKRBSA-N 2 1 397.588 3.760 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000247043516 879898561 /nfs/dbraw/zinc/89/85/61/879898561.db2.gz NUKDCCUMTFYUGD-HLAWJBBLSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000247043516 879898577 /nfs/dbraw/zinc/89/85/77/879898577.db2.gz NUKDCCUMTFYUGD-HLAWJBBLSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000247043516 879898596 /nfs/dbraw/zinc/89/85/96/879898596.db2.gz NUKDCCUMTFYUGD-HLAWJBBLSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000247043516 879898611 /nfs/dbraw/zinc/89/86/11/879898611.db2.gz NUKDCCUMTFYUGD-HLAWJBBLSA-N 2 1 386.511 3.550 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247046962 879899435 /nfs/dbraw/zinc/89/94/35/879899435.db2.gz ZEEPEUSAWUKDCR-UNWVZKJWSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247046962 879899453 /nfs/dbraw/zinc/89/94/53/879899453.db2.gz ZEEPEUSAWUKDCR-UNWVZKJWSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247046962 879899472 /nfs/dbraw/zinc/89/94/72/879899472.db2.gz ZEEPEUSAWUKDCR-UNWVZKJWSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247046962 879899488 /nfs/dbraw/zinc/89/94/88/879899488.db2.gz ZEEPEUSAWUKDCR-UNWVZKJWSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247046962 879899506 /nfs/dbraw/zinc/89/95/06/879899506.db2.gz ZEEPEUSAWUKDCR-UNWVZKJWSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247046962 879899522 /nfs/dbraw/zinc/89/95/22/879899522.db2.gz ZEEPEUSAWUKDCR-UNWVZKJWSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247046962 879899538 /nfs/dbraw/zinc/89/95/38/879899538.db2.gz ZEEPEUSAWUKDCR-UNWVZKJWSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000247054943 879902900 /nfs/dbraw/zinc/90/29/00/879902900.db2.gz MHGAEDZIDHHZFE-YTQUADARSA-N 2 1 378.582 3.926 20 0 GHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494188179 880003720 /nfs/dbraw/zinc/00/37/20/880003720.db2.gz HQSQOKGXUFDNCF-IRXDYDNUSA-N 2 1 387.749 3.570 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000123159383 880025037 /nfs/dbraw/zinc/02/50/37/880025037.db2.gz XDQLXUPEBVNLDG-GHTZIAJQSA-N 2 1 395.551 3.902 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCCCC1 ZINC000542476947 880441950 /nfs/dbraw/zinc/44/19/50/880441950.db2.gz ABQVACFBZNJANO-IBGZPJMESA-N 2 1 387.568 3.796 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453123367 880500756 /nfs/dbraw/zinc/50/07/56/880500756.db2.gz NJESXWAOZIVCGJ-KCSJKLDESA-N 2 1 383.580 3.666 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000531963555 880829260 /nfs/dbraw/zinc/82/92/60/880829260.db2.gz XWAKHBPIFMCXDX-NSHDSACASA-N 2 1 388.821 3.871 20 0 GHADMP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)c2ccccc2)CC1 ZINC000531965300 880831854 /nfs/dbraw/zinc/83/18/54/880831854.db2.gz SBLCLIFIQBQMMF-NHCUHLMSSA-N 2 1 385.552 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000187020286 881052055 /nfs/dbraw/zinc/05/20/55/881052055.db2.gz YTNLWUPPAVUQON-WZONZLPQSA-N 2 1 384.568 3.716 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729600318 883120754 /nfs/dbraw/zinc/12/07/54/883120754.db2.gz QJEDKRWDFNUZPS-XXBNENTESA-N 2 1 394.563 3.725 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cs1 ZINC000181737141 883177444 /nfs/dbraw/zinc/17/74/44/883177444.db2.gz UWKGULCIIMUPGG-SXLOBPIMSA-N 2 1 377.598 3.711 20 0 GHADMP C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182687068 883230507 /nfs/dbraw/zinc/23/05/07/883230507.db2.gz YHQBVUAOWHHTCP-RBUKOAKNSA-N 2 1 390.616 3.736 20 0 GHADMP C[NH+]1CCN(c2ccc(NC(=[NH2+])c3ccc(Br)cc3F)cc2)CC1 ZINC001170463726 883287103 /nfs/dbraw/zinc/28/71/03/883287103.db2.gz VXDFQKXCYKOWCP-UHFFFAOYSA-N 2 1 391.288 3.777 20 0 GHADMP CC(C)(CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000061790395 883334015 /nfs/dbraw/zinc/33/40/15/883334015.db2.gz NFSMAMDJRVJYFJ-UHFFFAOYSA-N 2 1 390.597 3.621 20 0 GHADMP Cc1ccccc1-c1noc([C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)n1 ZINC001212261196 883375160 /nfs/dbraw/zinc/37/51/60/883375160.db2.gz TYCWFWGEDQRXPG-HYBUGGRVSA-N 2 1 388.515 3.798 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001168157991 883411199 /nfs/dbraw/zinc/41/11/99/883411199.db2.gz BNBBWWQGBPFEAR-CBQOVEMMSA-N 2 1 389.559 3.617 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000476978865 883518081 /nfs/dbraw/zinc/51/80/81/883518081.db2.gz DAVMRVZCKMTDPN-LJQANCHMSA-N 2 1 389.559 3.761 20 0 GHADMP CC(C)[NH2+]C1CCN(CC[Si](C)(C)CC[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000859187072 883647676 /nfs/dbraw/zinc/64/76/76/883647676.db2.gz VLRKPMNSXJYYGN-UHFFFAOYSA-N 3 1 396.740 3.620 20 0 GHADMP C[NH+](C)[C@@H]1CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000859278182 883714785 /nfs/dbraw/zinc/71/47/85/883714785.db2.gz MCMNOIYGYVWEFM-FGZHOGPDSA-N 4 1 396.740 3.527 20 0 GHADMP Cc1c(F)cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1F ZINC001211911608 883827637 /nfs/dbraw/zinc/82/76/37/883827637.db2.gz RPSLPJNKIBBNDT-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1c(F)cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1F ZINC001211911608 883827644 /nfs/dbraw/zinc/82/76/44/883827644.db2.gz RPSLPJNKIBBNDT-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805884074 884207268 /nfs/dbraw/zinc/20/72/68/884207268.db2.gz FNPNVTWSGZPUJY-QHCPKHFHSA-N 2 1 378.516 3.716 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000806163800 884418882 /nfs/dbraw/zinc/41/88/82/884418882.db2.gz JOZAOWGRCXNBBE-AUSIDOKSSA-N 2 1 375.520 3.830 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000495109445 884561091 /nfs/dbraw/zinc/56/10/91/884561091.db2.gz PKYZANNAONYJJI-IPJJNNNSSA-N 2 1 396.531 3.627 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000249474377 912851223 /nfs/dbraw/zinc/85/12/23/912851223.db2.gz VGKWHHVQXFEUNX-YDHSSHFGSA-N 2 1 397.563 3.893 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000249474377 912851238 /nfs/dbraw/zinc/85/12/38/912851238.db2.gz VGKWHHVQXFEUNX-YDHSSHFGSA-N 2 1 397.563 3.893 20 0 GHADMP COc1cc(N[C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)cc(OC)c1 ZINC000533077878 884897229 /nfs/dbraw/zinc/89/72/29/884897229.db2.gz ISTLUGINKMTULF-IBGZPJMESA-N 2 1 392.503 3.966 20 0 GHADMP CCN(C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000460348996 884931257 /nfs/dbraw/zinc/93/12/57/884931257.db2.gz HFYITKPILODBQR-PMACEKPBSA-N 2 1 379.548 3.786 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000550586965 885059529 /nfs/dbraw/zinc/05/95/29/885059529.db2.gz FMMMPGJQYKDNPO-MOPGFXCFSA-N 2 1 377.532 3.607 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C1CCC([NH+](C)C)CC1 ZINC001168298760 885090645 /nfs/dbraw/zinc/09/06/45/885090645.db2.gz BVZCDEDOVGHKHV-ZBPMNIRTSA-N 2 1 384.605 3.953 20 0 GHADMP C[C@H]1[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000806931284 885096695 /nfs/dbraw/zinc/09/66/95/885096695.db2.gz LCHSZOHZCRPOBS-MALGCSLJSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1csc2ccccc12)c1ccccc1 ZINC000460384529 885199595 /nfs/dbraw/zinc/19/95/95/885199595.db2.gz JIWYHYABGMYDKE-HXUWFJFHSA-N 2 1 381.545 3.752 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1csc2ccccc12)c1ccccc1 ZINC000460384529 885199604 /nfs/dbraw/zinc/19/96/04/885199604.db2.gz JIWYHYABGMYDKE-HXUWFJFHSA-N 2 1 381.545 3.752 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000303059081 885441782 /nfs/dbraw/zinc/44/17/82/885441782.db2.gz ZXBFNSAXPRWQGX-WOJBJXKFSA-N 2 1 383.561 3.666 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000532442380 885450319 /nfs/dbraw/zinc/45/03/19/885450319.db2.gz ZPXQLSPEBJERSS-RDJZCZTQSA-N 2 1 395.519 3.989 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000550605644 885481859 /nfs/dbraw/zinc/48/18/59/885481859.db2.gz RJGCKSBGFRPCLI-RBZQAINGSA-N 2 1 397.538 3.624 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000550605644 885481862 /nfs/dbraw/zinc/48/18/62/885481862.db2.gz RJGCKSBGFRPCLI-RBZQAINGSA-N 2 1 397.538 3.624 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000532446312 885482735 /nfs/dbraw/zinc/48/27/35/885482735.db2.gz DNHVCUNAWFQDIC-LJQANCHMSA-N 2 1 379.552 3.610 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CSCCc4ccccc43)cc2)CC1 ZINC000532446860 885488586 /nfs/dbraw/zinc/48/85/86/885488586.db2.gz KQGRXAFGZKAHKI-DEOSSOPVSA-N 2 1 395.616 3.944 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000532447981 885495199 /nfs/dbraw/zinc/49/51/99/885495199.db2.gz JGRATSYTFXGUQV-FGTMMUONSA-N 2 1 379.976 3.787 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000532447981 885495207 /nfs/dbraw/zinc/49/52/07/885495207.db2.gz JGRATSYTFXGUQV-FGTMMUONSA-N 2 1 379.976 3.787 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@H](C)C1 ZINC000495420382 885747494 /nfs/dbraw/zinc/74/74/94/885747494.db2.gz HMYRUJIBDMDSHT-APWZRJJASA-N 2 1 398.389 3.588 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001168489736 886148282 /nfs/dbraw/zinc/14/82/82/886148282.db2.gz UOAATWGCBMAMIM-JIYUALFRSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001168489736 886148291 /nfs/dbraw/zinc/14/82/91/886148291.db2.gz UOAATWGCBMAMIM-JIYUALFRSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001168489736 886148300 /nfs/dbraw/zinc/14/83/00/886148300.db2.gz UOAATWGCBMAMIM-JIYUALFRSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001168489736 886148318 /nfs/dbraw/zinc/14/83/18/886148318.db2.gz UOAATWGCBMAMIM-JIYUALFRSA-N 2 1 396.554 3.828 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001168319704 886248088 /nfs/dbraw/zinc/24/80/88/886248088.db2.gz WOXJVZUYVKPNQM-JWYNLTDQSA-N 2 1 383.552 3.530 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867506 886385287 /nfs/dbraw/zinc/38/52/87/886385287.db2.gz FELWXBNINRNOPY-DYXWJJEUSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867506 886385301 /nfs/dbraw/zinc/38/53/01/886385301.db2.gz FELWXBNINRNOPY-DYXWJJEUSA-N 2 1 375.520 3.971 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000648805369 886884681 /nfs/dbraw/zinc/88/46/81/886884681.db2.gz SUXWFNSCKDVYSR-MSOLQXFVSA-N 2 1 384.524 3.756 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000648805369 886884694 /nfs/dbraw/zinc/88/46/94/886884694.db2.gz SUXWFNSCKDVYSR-MSOLQXFVSA-N 2 1 384.524 3.756 20 0 GHADMP Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666667315 887080701 /nfs/dbraw/zinc/08/07/01/887080701.db2.gz GTFNZEXRONHYHM-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP Cc1nc(-c2ccccc2)sc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666667315 887080716 /nfs/dbraw/zinc/08/07/16/887080716.db2.gz GTFNZEXRONHYHM-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000129375182 887289119 /nfs/dbraw/zinc/28/91/19/887289119.db2.gz SJHVJFYQRAUDQQ-DXIQSLLYSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)c1nnc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)s1 ZINC001184364015 913149582 /nfs/dbraw/zinc/14/95/82/913149582.db2.gz JZBCEQIVFWSLBV-UHFFFAOYSA-N 2 1 382.537 3.574 20 0 GHADMP COc1cc(N2CCOC(C)(C)C2)ccc1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459368502 887751638 /nfs/dbraw/zinc/75/16/38/887751638.db2.gz PETXLOMIGIDEIE-UHFFFAOYSA-N 2 1 396.535 3.786 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810085263 888140933 /nfs/dbraw/zinc/14/09/33/888140933.db2.gz PGCUOVAPVAULJA-VQTJNVASSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865413278 888329512 /nfs/dbraw/zinc/32/95/12/888329512.db2.gz BSBGPIUFFULNJN-UHFFFAOYSA-N 2 1 399.539 3.954 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865413278 888329525 /nfs/dbraw/zinc/32/95/25/888329525.db2.gz BSBGPIUFFULNJN-UHFFFAOYSA-N 2 1 399.539 3.954 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000532793794 889002650 /nfs/dbraw/zinc/00/26/50/889002650.db2.gz OBUQURKOBPCNMS-PXNSSMCTSA-N 2 1 392.975 3.508 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1)CC1CC1 ZINC000868180482 889337167 /nfs/dbraw/zinc/33/71/67/889337167.db2.gz GDNOJNKYXVLZGQ-FCHUYYIVSA-N 2 1 384.568 3.867 20 0 GHADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000124026417 889484552 /nfs/dbraw/zinc/48/45/52/889484552.db2.gz HCGHFGJWNDKIST-QFIPXVFZSA-N 2 1 395.522 3.507 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC2([NH+]4CCCCC4)CCOCC2)C3)cc1 ZINC000245769822 889680775 /nfs/dbraw/zinc/68/07/75/889680775.db2.gz WZXVKHIQMHABFE-JOZNFPNDSA-N 2 1 397.607 3.807 20 0 GHADMP Cc1cc(NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC001184681426 913384330 /nfs/dbraw/zinc/38/43/30/913384330.db2.gz OVJUHJDNKBEFGE-UHFFFAOYSA-N 2 1 393.457 3.736 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000125313967 889950410 /nfs/dbraw/zinc/95/04/10/889950410.db2.gz BTKKGAINFNSIFW-GOSISDBHSA-N 2 1 383.540 3.908 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475956015 890023056 /nfs/dbraw/zinc/02/30/56/890023056.db2.gz IWJHSMWTCSUQAI-DEOSSOPVSA-N 2 1 398.595 3.560 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635842 913416964 /nfs/dbraw/zinc/41/69/64/913416964.db2.gz DBOFQYFYBWMBJM-URXFXBBRSA-N 2 1 390.527 3.691 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000644651431 913429052 /nfs/dbraw/zinc/42/90/52/913429052.db2.gz JOEWANPPNCMREE-DHIUTWEWSA-N 2 1 382.548 3.627 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000533330318 890312019 /nfs/dbraw/zinc/31/20/19/890312019.db2.gz KINSDNFVEXCBIV-UHFFFAOYSA-N 2 1 386.927 3.960 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000533430291 890544133 /nfs/dbraw/zinc/54/41/33/890544133.db2.gz CJSXJPBQCHODTR-QZTJIDSGSA-N 2 1 375.582 3.684 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126834803 890771093 /nfs/dbraw/zinc/77/10/93/890771093.db2.gz KOOGVQDBQCEKEB-HUUCEWRRSA-N 2 1 397.386 3.597 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126834803 890771102 /nfs/dbraw/zinc/77/11/02/890771102.db2.gz KOOGVQDBQCEKEB-HUUCEWRRSA-N 2 1 397.386 3.597 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558996 890843171 /nfs/dbraw/zinc/84/31/71/890843171.db2.gz YKQCREMLAQMOBS-WFASDCNBSA-N 2 1 389.284 3.967 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(CCC(F)(F)F)cc2)CC1 ZINC000533560066 890845949 /nfs/dbraw/zinc/84/59/49/890845949.db2.gz LDMAZXUNOFTEMF-UHFFFAOYSA-N 2 1 392.425 3.581 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000533617720 890943846 /nfs/dbraw/zinc/94/38/46/890943846.db2.gz XIODUMYOGIUYML-IBGZPJMESA-N 2 1 388.581 3.561 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C(F)(F)F ZINC000872147655 891182351 /nfs/dbraw/zinc/18/23/51/891182351.db2.gz CUHUUMBBQOICKM-WMZOPIPTSA-N 2 1 391.437 3.751 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156084 891183881 /nfs/dbraw/zinc/18/38/81/891183881.db2.gz DOZGKOREVAKTKF-LZJOCLMNSA-N 2 1 378.582 3.771 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156084 891183886 /nfs/dbraw/zinc/18/38/86/891183886.db2.gz DOZGKOREVAKTKF-LZJOCLMNSA-N 2 1 378.582 3.771 20 0 GHADMP C[C@@H](Oc1ccccc1)c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872175971 891198664 /nfs/dbraw/zinc/19/86/64/891198664.db2.gz VNJVEQKNCSHSNA-GOSISDBHSA-N 2 1 392.503 3.746 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170696641 891265195 /nfs/dbraw/zinc/26/51/95/891265195.db2.gz GJNORYDBBBYRFK-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170696641 891265212 /nfs/dbraw/zinc/26/52/12/891265212.db2.gz GJNORYDBBBYRFK-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170696641 891265226 /nfs/dbraw/zinc/26/52/26/891265226.db2.gz GJNORYDBBBYRFK-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP c1sc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1-c1ccncc1 ZINC000873283253 891559607 /nfs/dbraw/zinc/55/96/07/891559607.db2.gz PMAHNTAMKZFYMV-DYESRHJHSA-N 2 1 378.501 3.551 20 0 GHADMP C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712608 892829440 /nfs/dbraw/zinc/82/94/40/892829440.db2.gz DEYJIBQJRHNVMG-PXNSSMCTSA-N 2 1 385.939 3.570 20 0 GHADMP Cc1cccc2c1cc[nH+]c2NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000645166416 913722256 /nfs/dbraw/zinc/72/22/56/913722256.db2.gz SXMVBALGEUMHSX-FQEVSTJZSA-N 2 1 388.515 3.853 20 0 GHADMP Cc1cccc2c1cc[nH+]c2NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000645166416 913722271 /nfs/dbraw/zinc/72/22/71/913722271.db2.gz SXMVBALGEUMHSX-FQEVSTJZSA-N 2 1 388.515 3.853 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000562914646 893143592 /nfs/dbraw/zinc/14/35/92/893143592.db2.gz NBPULOFFXAHXEC-HKUYNNGSSA-N 2 1 377.492 3.817 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000562914646 893143595 /nfs/dbraw/zinc/14/35/95/893143595.db2.gz NBPULOFFXAHXEC-HKUYNNGSSA-N 2 1 377.492 3.817 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000465548470 893271363 /nfs/dbraw/zinc/27/13/63/893271363.db2.gz HPUVRVVFVSZNNP-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCCC34CCCC4)c2)C1 ZINC000556077718 893648803 /nfs/dbraw/zinc/64/88/03/893648803.db2.gz ZTIAOQNJLNNERB-FGZHOGPDSA-N 2 1 383.580 3.977 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000563500770 893833024 /nfs/dbraw/zinc/83/30/24/893833024.db2.gz SCKRRLJTJAXSNX-QUCCMNQESA-N 2 1 392.547 3.755 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000563504826 893839242 /nfs/dbraw/zinc/83/92/42/893839242.db2.gz RSAWSAJWTJSHPT-MJGOQNOKSA-N 2 1 378.520 3.712 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878020186 893952895 /nfs/dbraw/zinc/95/28/95/893952895.db2.gz IGXBMOZEMYGBOS-DVKRWUGUSA-N 2 1 385.596 3.787 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC000878020186 893952908 /nfs/dbraw/zinc/95/29/08/893952908.db2.gz IGXBMOZEMYGBOS-DVKRWUGUSA-N 2 1 385.596 3.787 20 0 GHADMP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536936496 894120289 /nfs/dbraw/zinc/12/02/89/894120289.db2.gz WRTCQEOWKUNUOZ-BBWFWOEESA-N 2 1 382.495 3.616 20 0 GHADMP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536936496 894120294 /nfs/dbraw/zinc/12/02/94/894120294.db2.gz WRTCQEOWKUNUOZ-BBWFWOEESA-N 2 1 382.495 3.616 20 0 GHADMP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(Br)c1OC ZINC000459734094 894126528 /nfs/dbraw/zinc/12/65/28/894126528.db2.gz OCVMALDPZXVOFD-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP O=C(C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000459752658 894147512 /nfs/dbraw/zinc/14/75/12/894147512.db2.gz QVUXLZRFVBFNRH-QHCPKHFHSA-N 2 1 381.564 3.737 20 0 GHADMP O=C(C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000459752658 894147517 /nfs/dbraw/zinc/14/75/17/894147517.db2.gz QVUXLZRFVBFNRH-QHCPKHFHSA-N 2 1 381.564 3.737 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459777659 894181063 /nfs/dbraw/zinc/18/10/63/894181063.db2.gz YDNAIWIKFKYPTG-BJKOFHAPSA-N 2 1 392.522 3.979 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CCC4(CCOCC4)O2)CC3)cc1 ZINC000878322908 894192346 /nfs/dbraw/zinc/19/23/46/894192346.db2.gz RJWLJNQILFXARZ-JOCHJYFZSA-N 2 1 384.564 3.703 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000828011760 894260260 /nfs/dbraw/zinc/26/02/60/894260260.db2.gz UTIYCDAKUGJJRR-VQTJNVASSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000828011760 894260275 /nfs/dbraw/zinc/26/02/75/894260275.db2.gz UTIYCDAKUGJJRR-VQTJNVASSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000828011760 894260285 /nfs/dbraw/zinc/26/02/85/894260285.db2.gz UTIYCDAKUGJJRR-VQTJNVASSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000878498624 894335758 /nfs/dbraw/zinc/33/57/58/894335758.db2.gz GIDOOVCICLMSOZ-UHFFFAOYSA-N 2 1 390.597 3.620 20 0 GHADMP COc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)c1 ZINC000563989413 894407075 /nfs/dbraw/zinc/40/70/75/894407075.db2.gz HXTSGIDWCGUKGP-JOCHJYFZSA-N 2 1 397.538 3.710 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)c1 ZINC000563989416 894407391 /nfs/dbraw/zinc/40/73/91/894407391.db2.gz HXTSGIDWCGUKGP-QFIPXVFZSA-N 2 1 397.538 3.710 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC=C(c4cccc(C)c4)CC3)CC2)CC1 ZINC000564225030 894742732 /nfs/dbraw/zinc/74/27/32/894742732.db2.gz VLNPTRNTCKUYHH-UHFFFAOYSA-N 2 1 395.591 3.807 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)c2)CC1 ZINC000879086502 894827751 /nfs/dbraw/zinc/82/77/51/894827751.db2.gz XCSKKRWJEIJNOO-UNMCSNQZSA-N 2 1 384.568 3.519 20 0 GHADMP Cc1ccc2[nH]c(C[NH+]3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000564321557 894861221 /nfs/dbraw/zinc/86/12/21/894861221.db2.gz XNYAWEVYMAGUJP-KDURUIRLSA-N 2 1 399.579 3.875 20 0 GHADMP Cc1ccc2[nH]c(C[NH+]3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1C ZINC000564321557 894861228 /nfs/dbraw/zinc/86/12/28/894861228.db2.gz XNYAWEVYMAGUJP-KDURUIRLSA-N 2 1 399.579 3.875 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000879319945 894984218 /nfs/dbraw/zinc/98/42/18/894984218.db2.gz CZBVJKJHZLSGCV-LJQANCHMSA-N 2 1 380.536 3.701 20 0 GHADMP C[C@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564641877 895152422 /nfs/dbraw/zinc/15/24/22/895152422.db2.gz MEZSZKQVRIHZSQ-DZGCQCFKSA-N 2 1 398.473 3.939 20 0 GHADMP c1cc([C@H]2CC[N@H+](Cc3cncc(C[NH+]4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665024 895165038 /nfs/dbraw/zinc/16/50/38/895165038.db2.gz DCFZKJCIOUUTMB-PLQXJYEYSA-N 2 1 399.542 3.851 20 0 GHADMP c1cc([C@H]2CC[NH+](Cc3cncc(C[N@@H+]4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665024 895165043 /nfs/dbraw/zinc/16/50/43/895165043.db2.gz DCFZKJCIOUUTMB-PLQXJYEYSA-N 2 1 399.542 3.851 20 0 GHADMP c1cc([C@H]2CC[NH+](Cc3cncc(C[N@H+]4CC[C@@H](c5ccncc5)C4)c3)C2)ccn1 ZINC000564665024 895165058 /nfs/dbraw/zinc/16/50/58/895165058.db2.gz DCFZKJCIOUUTMB-PLQXJYEYSA-N 2 1 399.542 3.851 20 0 GHADMP COc1ccc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1F ZINC000626127303 895254628 /nfs/dbraw/zinc/25/46/28/895254628.db2.gz JXSYZRPBOWTTKN-NRFANRHFSA-N 2 1 384.495 3.656 20 0 GHADMP COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1F ZINC000626127303 895254632 /nfs/dbraw/zinc/25/46/32/895254632.db2.gz JXSYZRPBOWTTKN-NRFANRHFSA-N 2 1 384.495 3.656 20 0 GHADMP Cc1ccccc1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccn1 ZINC000565047987 895367931 /nfs/dbraw/zinc/36/79/31/895367931.db2.gz IDJXAWUHAYLHLY-UHFFFAOYSA-N 2 1 380.580 3.808 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000565151201 895426559 /nfs/dbraw/zinc/42/65/59/895426559.db2.gz OZEBMBJBZOWYIF-UHFFFAOYSA-N 2 1 377.532 3.662 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000565156260 895429371 /nfs/dbraw/zinc/42/93/71/895429371.db2.gz WQWIOECVLWYXRM-CEDHKZHLSA-N 2 1 389.971 3.507 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000565491707 895672699 /nfs/dbraw/zinc/67/26/99/895672699.db2.gz MRUUFRZHUTVWNU-NHCUHLMSSA-N 2 1 377.617 3.856 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000566105886 896112624 /nfs/dbraw/zinc/11/26/24/896112624.db2.gz AGJUXYYKPNDZPP-CVEARBPZSA-N 2 1 389.367 3.977 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000828012447 896296183 /nfs/dbraw/zinc/29/61/83/896296183.db2.gz PUOFUGVHHZAKLH-GOSISDBHSA-N 2 1 376.416 3.698 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@]1(C)CC1(Cl)Cl ZINC000828012447 896296198 /nfs/dbraw/zinc/29/61/98/896296198.db2.gz PUOFUGVHHZAKLH-GOSISDBHSA-N 3 1 376.416 3.698 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@]1(C)CC1(Cl)Cl ZINC000828012447 896296213 /nfs/dbraw/zinc/29/62/13/896296213.db2.gz PUOFUGVHHZAKLH-GOSISDBHSA-N 3 1 376.416 3.698 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982088 896301201 /nfs/dbraw/zinc/30/12/01/896301201.db2.gz FDVGOUCHNAZRJC-NRFANRHFSA-N 2 1 394.563 3.583 20 0 GHADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)nc(C)[nH+]1 ZINC000819137308 896394581 /nfs/dbraw/zinc/39/45/81/896394581.db2.gz ZZUHWHUSIZYKFJ-GOSISDBHSA-N 2 1 395.334 3.692 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000819190316 896461994 /nfs/dbraw/zinc/46/19/94/896461994.db2.gz OCLSBQPVTXSRSC-KKLQWCBXSA-N 2 1 398.547 3.628 20 0 GHADMP Cc1cccn2cc(CC(=O)NC[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)nc12 ZINC000566712150 896513487 /nfs/dbraw/zinc/51/34/87/896513487.db2.gz VSGZCYAJVZMDMB-OAQYLSRUSA-N 2 1 390.531 3.604 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566746716 896540011 /nfs/dbraw/zinc/54/00/11/896540011.db2.gz MKXALVBRSLDCFA-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)[C@@H]2CCC[C@H]21 ZINC000567130983 896897820 /nfs/dbraw/zinc/89/78/20/896897820.db2.gz MQBNYPVUENHVOA-ZYSHUDEJSA-N 2 1 376.342 3.935 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000130968394 897277027 /nfs/dbraw/zinc/27/70/27/897277027.db2.gz JERWUDGJJNOFKG-IVZQSRNASA-N 2 1 381.476 3.582 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)c(Cl)cc3OC)CC2)CC1 ZINC000567912509 897484579 /nfs/dbraw/zinc/48/45/79/897484579.db2.gz LCMQPOYWVGKTJJ-UHFFFAOYSA-N 2 1 393.959 3.792 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000028311459 897752425 /nfs/dbraw/zinc/75/24/25/897752425.db2.gz XEPCYWAAJWRHHY-GOSISDBHSA-N 2 1 398.551 3.603 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000028311459 897752436 /nfs/dbraw/zinc/75/24/36/897752436.db2.gz XEPCYWAAJWRHHY-GOSISDBHSA-N 2 1 398.551 3.603 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000132346074 897760454 /nfs/dbraw/zinc/76/04/54/897760454.db2.gz NBVFFLWYPYEEFQ-PXDATVDWSA-N 2 1 393.575 3.530 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000111607026 898058561 /nfs/dbraw/zinc/05/85/61/898058561.db2.gz GKXMYZYNNGMLIA-PKTZIBPZSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000111607026 898058576 /nfs/dbraw/zinc/05/85/76/898058576.db2.gz GKXMYZYNNGMLIA-PKTZIBPZSA-N 2 1 398.595 3.551 20 0 GHADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(-c2ccc(F)cc2)s1 ZINC000569095472 898338918 /nfs/dbraw/zinc/33/89/18/898338918.db2.gz ZZQFRUXDAIWSJK-CYBMUJFWSA-N 2 1 385.512 3.990 20 0 GHADMP CCC[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC[NH2+]CC1 ZINC000569576831 898800532 /nfs/dbraw/zinc/80/05/32/898800532.db2.gz NSKLHFNRTRYUIB-UHFFFAOYSA-N 2 1 389.341 3.870 20 0 GHADMP CCC[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC[NH2+]CC1 ZINC000569576831 898800551 /nfs/dbraw/zinc/80/05/51/898800551.db2.gz NSKLHFNRTRYUIB-UHFFFAOYSA-N 2 1 389.341 3.870 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCc4cccc(F)c4C3)CC2)c1 ZINC001171010056 898893007 /nfs/dbraw/zinc/89/30/07/898893007.db2.gz KFHDQCFNJNTCPK-OAQYLSRUSA-N 2 1 396.506 3.724 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](c4ccccc4)CC3)CC2)CC1 ZINC000569940107 899033960 /nfs/dbraw/zinc/03/39/60/899033960.db2.gz WQBAXTTZVNMHIX-JOCHJYFZSA-N 2 1 397.607 3.979 20 0 GHADMP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000570088940 899117594 /nfs/dbraw/zinc/11/75/94/899117594.db2.gz SGSBNHPQXPIFTG-MESAYYPLSA-N 2 1 378.601 3.939 20 0 GHADMP C(CC[NH+]1CCC[C@H]1[C@H]1CCCOC1)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570088940 899117600 /nfs/dbraw/zinc/11/76/00/899117600.db2.gz SGSBNHPQXPIFTG-MESAYYPLSA-N 2 1 378.601 3.939 20 0 GHADMP C(CC[NH+]1CCC[C@H]1[C@H]1CCCOC1)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570088940 899117603 /nfs/dbraw/zinc/11/76/03/899117603.db2.gz SGSBNHPQXPIFTG-MESAYYPLSA-N 2 1 378.601 3.939 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001136755178 899149498 /nfs/dbraw/zinc/14/94/98/899149498.db2.gz OKFNTCKGPWYBOU-TZRRMPRUSA-N 2 1 397.607 3.915 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001136755178 899149502 /nfs/dbraw/zinc/14/95/02/899149502.db2.gz OKFNTCKGPWYBOU-TZRRMPRUSA-N 2 1 397.607 3.915 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001136755178 899149511 /nfs/dbraw/zinc/14/95/11/899149511.db2.gz OKFNTCKGPWYBOU-TZRRMPRUSA-N 2 1 397.607 3.915 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000884259839 899575699 /nfs/dbraw/zinc/57/56/99/899575699.db2.gz AGAZGISVJNSBOV-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc(SC)cc3)CC2)CC1 ZINC000570812920 899610599 /nfs/dbraw/zinc/61/05/99/899610599.db2.gz FJEHHENOFQUBGU-UHFFFAOYSA-N 2 1 375.582 3.568 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584958 899726287 /nfs/dbraw/zinc/72/62/87/899726287.db2.gz KLBRGOBITCQEBJ-BJLQDIEVSA-N 2 1 390.535 3.818 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571126165 899752567 /nfs/dbraw/zinc/75/25/67/899752567.db2.gz SMFHJGGYCSXQCH-NBYUQASBSA-N 2 1 384.486 3.970 20 0 GHADMP CC1(C)CCC(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824796274 899836528 /nfs/dbraw/zinc/83/65/28/899836528.db2.gz NOSYGCGRWPSBFL-UHFFFAOYSA-N 2 1 382.556 3.637 20 0 GHADMP Cc1cccn2c(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cnc12 ZINC001136960978 899867283 /nfs/dbraw/zinc/86/72/83/899867283.db2.gz DIQNCPGQXIHHSP-UHFFFAOYSA-N 2 1 389.547 3.914 20 0 GHADMP CC[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000573650154 900589133 /nfs/dbraw/zinc/58/91/33/900589133.db2.gz AUBZOSFAVBQSMU-RTWAWAEBSA-N 2 1 381.520 3.921 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)CC1 ZINC001186315761 914466338 /nfs/dbraw/zinc/46/63/38/914466338.db2.gz CXYJNZPYRZCWII-XMMPIXPASA-N 2 1 391.559 3.604 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)CC1 ZINC001186315761 914466349 /nfs/dbraw/zinc/46/63/49/914466349.db2.gz CXYJNZPYRZCWII-XMMPIXPASA-N 2 1 391.559 3.604 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186315777 914466964 /nfs/dbraw/zinc/46/69/64/914466964.db2.gz DIPXWEKEUNCJIC-KMDXXIMOSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186315777 914466975 /nfs/dbraw/zinc/46/69/75/914466975.db2.gz DIPXWEKEUNCJIC-KMDXXIMOSA-N 2 1 391.559 3.603 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000573886160 900687454 /nfs/dbraw/zinc/68/74/54/900687454.db2.gz GRWAZNVRURRAQK-FQEVSTJZSA-N 2 1 395.572 3.992 20 0 GHADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001144008517 900882312 /nfs/dbraw/zinc/88/23/12/900882312.db2.gz GOOGUFQGIMPLNI-MRXNPFEDSA-N 2 1 382.382 3.951 20 0 GHADMP COc1ccc(OC(F)(F)F)cc1CN1CC[C@@H](Oc2ccncc2C)C1 ZINC001144008517 900882322 /nfs/dbraw/zinc/88/23/22/900882322.db2.gz GOOGUFQGIMPLNI-MRXNPFEDSA-N 2 1 382.382 3.951 20 0 GHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1O2 ZINC000574977774 901076365 /nfs/dbraw/zinc/07/63/65/901076365.db2.gz JWMRJRQRHWTXQN-IBGZPJMESA-N 2 1 399.922 3.856 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1Cl ZINC000886527021 901124956 /nfs/dbraw/zinc/12/49/56/901124956.db2.gz XDAAYXHGPAQWCB-UFYCRDLUSA-N 2 1 397.950 3.713 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529014 901128500 /nfs/dbraw/zinc/12/85/00/901128500.db2.gz VMDHVSZVZICAFJ-JRBASJLZSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529014 901128505 /nfs/dbraw/zinc/12/85/05/901128505.db2.gz VMDHVSZVZICAFJ-JRBASJLZSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529014 901128512 /nfs/dbraw/zinc/12/85/12/901128512.db2.gz VMDHVSZVZICAFJ-JRBASJLZSA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529014 901128518 /nfs/dbraw/zinc/12/85/18/901128518.db2.gz VMDHVSZVZICAFJ-JRBASJLZSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529014 901128520 /nfs/dbraw/zinc/12/85/20/901128520.db2.gz VMDHVSZVZICAFJ-JRBASJLZSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529014 901128529 /nfs/dbraw/zinc/12/85/29/901128529.db2.gz VMDHVSZVZICAFJ-JRBASJLZSA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC000886529014 901128532 /nfs/dbraw/zinc/12/85/32/901128532.db2.gz VMDHVSZVZICAFJ-JRBASJLZSA-N 3 1 399.623 3.766 20 0 GHADMP CC(C)OCCN1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886534360 901138452 /nfs/dbraw/zinc/13/84/52/901138452.db2.gz HDPLROWGXHBXMO-XWGVYQGASA-N 2 1 385.596 3.519 20 0 GHADMP CC(C)OCC[NH+]1CCC(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886534360 901138458 /nfs/dbraw/zinc/13/84/58/901138458.db2.gz HDPLROWGXHBXMO-XWGVYQGASA-N 2 1 385.596 3.519 20 0 GHADMP CC(C)OCC[NH+]1CCC(N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886534360 901138462 /nfs/dbraw/zinc/13/84/62/901138462.db2.gz HDPLROWGXHBXMO-XWGVYQGASA-N 2 1 385.596 3.519 20 0 GHADMP Cc1nc2ccc(C[NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)cc2s1 ZINC000575188480 901153651 /nfs/dbraw/zinc/15/36/51/901153651.db2.gz FFJIUPOHVAQOLW-SFHVURJKSA-N 2 1 386.590 3.745 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)n1cccn1 ZINC000886642071 901201896 /nfs/dbraw/zinc/20/18/96/901201896.db2.gz ZJXBCWZSFDQAKP-VJANTYMQSA-N 2 1 378.442 3.629 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822109 901287296 /nfs/dbraw/zinc/28/72/96/901287296.db2.gz MICWHYDLPNFDQL-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(C[NH+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886822109 901287304 /nfs/dbraw/zinc/28/73/04/901287304.db2.gz MICWHYDLPNFDQL-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(C[NH+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886822109 901287321 /nfs/dbraw/zinc/28/73/21/901287321.db2.gz MICWHYDLPNFDQL-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]([C@H]3CCCO3)C2)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822737 901287397 /nfs/dbraw/zinc/28/73/97/901287397.db2.gz ULPPVDYDBQGOPR-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)cc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886822737 901287404 /nfs/dbraw/zinc/28/74/04/901287404.db2.gz ULPPVDYDBQGOPR-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886822737 901287417 /nfs/dbraw/zinc/28/74/17/901287417.db2.gz ULPPVDYDBQGOPR-NEWJYFPISA-N 2 1 384.564 3.688 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cnccc1Cl)CC2 ZINC001137233437 901379428 /nfs/dbraw/zinc/37/94/28/901379428.db2.gz DSJBPOWXMMGTNQ-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000575866944 901406000 /nfs/dbraw/zinc/40/60/00/901406000.db2.gz UHLLJZRLBVRFPY-JXFKEZNVSA-N 2 1 380.536 3.829 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000093770518 901565590 /nfs/dbraw/zinc/56/55/90/901565590.db2.gz KKPPLHGHMHXGRS-OAQYLSRUSA-N 2 1 389.547 3.767 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000093770518 901565598 /nfs/dbraw/zinc/56/55/98/901565598.db2.gz KKPPLHGHMHXGRS-OAQYLSRUSA-N 2 1 389.547 3.767 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000093770518 901565606 /nfs/dbraw/zinc/56/56/06/901565606.db2.gz KKPPLHGHMHXGRS-OAQYLSRUSA-N 2 1 389.547 3.767 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000093770518 901565612 /nfs/dbraw/zinc/56/56/12/901565612.db2.gz KKPPLHGHMHXGRS-OAQYLSRUSA-N 2 1 389.547 3.767 20 0 GHADMP CCC(CC)(CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[NH2+][C@H](C)c1ccccc1 ZINC000576164848 901745115 /nfs/dbraw/zinc/74/51/15/901745115.db2.gz KXLZSWPYVOJRST-XLIONFOSSA-N 2 1 382.552 3.780 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000576227407 901843860 /nfs/dbraw/zinc/84/38/60/901843860.db2.gz UQWJLLFSJZSHBL-MRXNPFEDSA-N 2 1 389.341 3.661 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccccc4)CCCC3)CC2)CC1 ZINC000576356599 901971582 /nfs/dbraw/zinc/97/15/82/901971582.db2.gz FFEKSYDPLAYWPB-UHFFFAOYSA-N 2 1 383.580 3.768 20 0 GHADMP Brc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000576875124 902325929 /nfs/dbraw/zinc/32/59/29/902325929.db2.gz MLPQRLUSCZLUQV-JKSUJKDBSA-N 2 1 390.325 3.926 20 0 GHADMP C[C@@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000577026332 902443003 /nfs/dbraw/zinc/44/30/03/902443003.db2.gz NEELGBCKOSJWNS-GBXCKJPGSA-N 2 1 381.539 3.821 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2[nH+]cn3ccccc23)cc1 ZINC001144625513 902501094 /nfs/dbraw/zinc/50/10/94/902501094.db2.gz NYHHZTLQWRQLIF-FQEVSTJZSA-N 2 1 378.520 3.829 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2[nH+]cn3ccccc23)cc1 ZINC001144625513 902501096 /nfs/dbraw/zinc/50/10/96/902501096.db2.gz NYHHZTLQWRQLIF-FQEVSTJZSA-N 2 1 378.520 3.829 20 0 GHADMP O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000577163029 902556026 /nfs/dbraw/zinc/55/60/26/902556026.db2.gz OMLCDICPWRLMOQ-JOCHJYFZSA-N 2 1 398.595 3.551 20 0 GHADMP C[C@@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600952870 903151583 /nfs/dbraw/zinc/15/15/83/903151583.db2.gz HLYISTDSXPYIEC-FQEVSTJZSA-N 2 1 383.580 3.548 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(N2CCCC2)n1 ZINC000577787181 903190810 /nfs/dbraw/zinc/19/08/10/903190810.db2.gz CEEURSMWAGCKRJ-XXBNENTESA-N 2 1 378.564 3.990 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000601061791 903283741 /nfs/dbraw/zinc/28/37/41/903283741.db2.gz ANTXEPHCWMKLBO-FQEVSTJZSA-N 2 1 377.960 3.889 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000601061791 903283753 /nfs/dbraw/zinc/28/37/53/903283753.db2.gz ANTXEPHCWMKLBO-FQEVSTJZSA-N 2 1 377.960 3.889 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C3(C2)CCOCC3)cc1 ZINC000578148470 903561773 /nfs/dbraw/zinc/56/17/73/903561773.db2.gz LIQVISAGMFHRHZ-PKTZIBPZSA-N 2 1 398.591 3.854 20 0 GHADMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)n1[C@@H](C)c1ccccc1 ZINC001146978598 903652803 /nfs/dbraw/zinc/65/28/03/903652803.db2.gz VEKAMWPYMHCMSF-ICSRJNTNSA-N 2 1 398.595 3.716 20 0 GHADMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)n1[C@@H](C)c1ccccc1 ZINC001146978598 903652809 /nfs/dbraw/zinc/65/28/09/903652809.db2.gz VEKAMWPYMHCMSF-ICSRJNTNSA-N 2 1 398.595 3.716 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OCC ZINC000265486698 903921822 /nfs/dbraw/zinc/92/18/22/903921822.db2.gz UGLFTUINUKRCDQ-FQEVSTJZSA-N 2 1 390.568 3.855 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000779087941 904049854 /nfs/dbraw/zinc/04/98/54/904049854.db2.gz QSECLPKNIGUSKI-MRXNPFEDSA-N 2 1 390.572 3.938 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000779087941 904049869 /nfs/dbraw/zinc/04/98/69/904049869.db2.gz QSECLPKNIGUSKI-MRXNPFEDSA-N 2 1 390.572 3.938 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000773014180 904374593 /nfs/dbraw/zinc/37/45/93/904374593.db2.gz ITCADQQUNMWUBG-JLSDUUJJSA-N 2 1 389.367 3.753 20 0 GHADMP O[C@@H](c1ccccc1)C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000773095362 904428058 /nfs/dbraw/zinc/42/80/58/904428058.db2.gz RSBXVKHKCGLSQF-QHCPKHFHSA-N 2 1 382.523 3.936 20 0 GHADMP CC[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)CC1CCN(c2ccccn2)CC1 ZINC000160010401 904515620 /nfs/dbraw/zinc/51/56/20/904515620.db2.gz MCXVSWSHPNSOOO-UHFFFAOYSA-N 2 1 393.487 3.632 20 0 GHADMP CC(C)(CC(=O)N1CCCC1)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001171491251 904735577 /nfs/dbraw/zinc/73/55/77/904735577.db2.gz WNSLOVVFKXOGCL-GOSISDBHSA-N 2 1 383.540 3.554 20 0 GHADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001171573188 904841125 /nfs/dbraw/zinc/84/11/25/904841125.db2.gz VGYNWTBFLXBWDI-OAQYLSRUSA-N 2 1 378.564 3.593 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C[C@H]1C(C)(C)C ZINC001171614401 904878299 /nfs/dbraw/zinc/87/82/99/904878299.db2.gz BBQVZONMVAIUSZ-MOPGFXCFSA-N 2 1 379.589 3.971 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)cc2)C[C@H](C)O1 ZINC001171636137 904924416 /nfs/dbraw/zinc/92/44/16/904924416.db2.gz LIDPVPVHRJVSHY-XQBPLPMBSA-N 2 1 396.531 3.568 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)cc2)C[C@H](C)O1 ZINC001171636137 904924418 /nfs/dbraw/zinc/92/44/18/904924418.db2.gz LIDPVPVHRJVSHY-XQBPLPMBSA-N 2 1 396.531 3.568 20 0 GHADMP Cc1cc(N2CC[NH+](C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)n(-c2ccccc2)n1 ZINC001171643933 904933757 /nfs/dbraw/zinc/93/37/57/904933757.db2.gz YLOLOPCTHMGPRW-UHFFFAOYSA-N 2 1 395.595 3.954 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC001171752074 904979656 /nfs/dbraw/zinc/97/96/56/904979656.db2.gz PNDJRXIJCUWZSK-INDWIESVSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC001171752074 904979661 /nfs/dbraw/zinc/97/96/61/904979661.db2.gz PNDJRXIJCUWZSK-INDWIESVSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)o1 ZINC001171752074 904979668 /nfs/dbraw/zinc/97/96/68/904979668.db2.gz PNDJRXIJCUWZSK-INDWIESVSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)o1 ZINC001171752074 904979676 /nfs/dbraw/zinc/97/96/76/904979676.db2.gz PNDJRXIJCUWZSK-INDWIESVSA-N 2 1 379.548 3.900 20 0 GHADMP COC(=O)c1ccc2c(c1)c(C[NH3+])cn2[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171734910 905016387 /nfs/dbraw/zinc/01/63/87/905016387.db2.gz RIIYWYHSLBTVEZ-OXQOHEQNSA-N 2 1 377.488 3.722 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001171799352 905059266 /nfs/dbraw/zinc/05/92/66/905059266.db2.gz NUWYZKLOIRCADF-OIBXWCBGSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C2CCCCC2)C1 ZINC001171799352 905059281 /nfs/dbraw/zinc/05/92/81/905059281.db2.gz NUWYZKLOIRCADF-OIBXWCBGSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](C2CCCCC2)C1 ZINC001171799352 905059300 /nfs/dbraw/zinc/05/93/00/905059300.db2.gz NUWYZKLOIRCADF-OIBXWCBGSA-N 2 1 383.580 3.668 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171956826 905164261 /nfs/dbraw/zinc/16/42/61/905164261.db2.gz QHHHDTCAPVUAFJ-YDNYCGNNSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171956826 905164265 /nfs/dbraw/zinc/16/42/65/905164265.db2.gz QHHHDTCAPVUAFJ-YDNYCGNNSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171956826 905164269 /nfs/dbraw/zinc/16/42/69/905164269.db2.gz QHHHDTCAPVUAFJ-YDNYCGNNSA-N 2 1 384.564 3.952 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171967671 905175724 /nfs/dbraw/zinc/17/57/24/905175724.db2.gz MPDQUMSHNBLYBV-QFIPXVFZSA-N 2 1 398.595 3.699 20 0 GHADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC001171976328 905223478 /nfs/dbraw/zinc/22/34/78/905223478.db2.gz RCXKQPIOGDEASN-VJBWXMMDSA-N 2 1 382.548 3.768 20 0 GHADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC001171976328 905223499 /nfs/dbraw/zinc/22/34/99/905223499.db2.gz RCXKQPIOGDEASN-VJBWXMMDSA-N 2 1 382.548 3.768 20 0 GHADMP CC1(C)C[C@H](N2CC[NH+](CCc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980171 905232993 /nfs/dbraw/zinc/23/29/93/905232993.db2.gz DFGGRMVANVFCSQ-XMMPIXPASA-N 2 1 392.591 3.685 20 0 GHADMP CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171981511 905234745 /nfs/dbraw/zinc/23/47/45/905234745.db2.gz MJMYTPUIDWOHRB-OAQYLSRUSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981760 905235756 /nfs/dbraw/zinc/23/57/56/905235756.db2.gz PZZQIFYMRDZGTE-DPLHUUCSSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@@H]1[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981760 905235765 /nfs/dbraw/zinc/23/57/65/905235765.db2.gz PZZQIFYMRDZGTE-DPLHUUCSSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981760 905235768 /nfs/dbraw/zinc/23/57/68/905235768.db2.gz PZZQIFYMRDZGTE-DPLHUUCSSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981760 905235779 /nfs/dbraw/zinc/23/57/79/905235779.db2.gz PZZQIFYMRDZGTE-DPLHUUCSSA-N 2 1 383.580 3.953 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987178 905248189 /nfs/dbraw/zinc/24/81/89/905248189.db2.gz QOKDSVUHHGBBOM-NHCUHLMSSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987178 905248200 /nfs/dbraw/zinc/24/82/00/905248200.db2.gz QOKDSVUHHGBBOM-NHCUHLMSSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987178 905248211 /nfs/dbraw/zinc/24/82/11/905248211.db2.gz QOKDSVUHHGBBOM-NHCUHLMSSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(C)(N3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988020 905251630 /nfs/dbraw/zinc/25/16/30/905251630.db2.gz NVLWCEAZPLZQIW-QFIPXVFZSA-N 2 1 385.596 3.616 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001172070664 905273339 /nfs/dbraw/zinc/27/33/39/905273339.db2.gz RFFRLDHWQBYPCF-KHFMAEOWSA-N 2 1 395.591 3.999 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC001172071834 905273674 /nfs/dbraw/zinc/27/36/74/905273674.db2.gz ZPLUWARSCGQJJU-ACDBMABISA-N 2 1 383.561 3.653 20 0 GHADMP O=C1Nc2ccccc2[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070620 905274088 /nfs/dbraw/zinc/27/40/88/905274088.db2.gz QDRVVGLAFFRJTF-IIZPIQPGSA-N 2 1 375.516 3.898 20 0 GHADMP c1cn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2)nn1 ZINC001172071879 905274470 /nfs/dbraw/zinc/27/44/70/905274470.db2.gz AARPLNBPVXHYTH-ULPXVVAUSA-N 2 1 387.531 3.943 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172074502 905284710 /nfs/dbraw/zinc/28/47/10/905284710.db2.gz SNUFNSQPWKWKDB-AERCQKQUSA-N 2 1 388.527 3.939 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074502 905284725 /nfs/dbraw/zinc/28/47/25/905284725.db2.gz SNUFNSQPWKWKDB-AERCQKQUSA-N 2 1 388.527 3.939 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)c1cccc(O)c1 ZINC001172077012 905287055 /nfs/dbraw/zinc/28/70/55/905287055.db2.gz OCFXFFCMSMUPBQ-JHXDLCHDSA-N 2 1 380.532 3.989 20 0 GHADMP O=C1COc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2N1 ZINC001172080386 905291772 /nfs/dbraw/zinc/29/17/72/905291772.db2.gz VAGRLATZQJXXQK-WKCHPHFGSA-N 2 1 391.515 3.693 20 0 GHADMP O=C1COc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2N1 ZINC001172080386 905291786 /nfs/dbraw/zinc/29/17/86/905291786.db2.gz VAGRLATZQJXXQK-WKCHPHFGSA-N 2 1 391.515 3.693 20 0 GHADMP CC(=O)N1CC[C@H]([N@@H+](C(C)C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172083840 905296581 /nfs/dbraw/zinc/29/65/81/905296581.db2.gz SLHUFRKGRNQNDD-UARRHKHWSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172083840 905296598 /nfs/dbraw/zinc/29/65/98/905296598.db2.gz SLHUFRKGRNQNDD-UARRHKHWSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@H]([NH+](C(C)C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172083840 905296614 /nfs/dbraw/zinc/29/66/14/905296614.db2.gz SLHUFRKGRNQNDD-UARRHKHWSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@H]([NH+](C(C)C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172083840 905296633 /nfs/dbraw/zinc/29/66/33/905296633.db2.gz SLHUFRKGRNQNDD-UARRHKHWSA-N 2 1 383.580 3.903 20 0 GHADMP CN1C(=O)CC[C@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@H]21 ZINC001172087744 905303646 /nfs/dbraw/zinc/30/36/46/905303646.db2.gz LNQODXVHPIHOLQ-LHGONGGSSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@H]21 ZINC001172087744 905303657 /nfs/dbraw/zinc/30/36/57/905303657.db2.gz LNQODXVHPIHOLQ-LHGONGGSSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@H]21 ZINC001172087744 905303668 /nfs/dbraw/zinc/30/36/68/905303668.db2.gz LNQODXVHPIHOLQ-LHGONGGSSA-N 2 1 381.564 3.515 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098390 905320196 /nfs/dbraw/zinc/32/01/96/905320196.db2.gz CVUMIADXZUJUQE-NADOGSGZSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098390 905320203 /nfs/dbraw/zinc/32/02/03/905320203.db2.gz CVUMIADXZUJUQE-NADOGSGZSA-N 2 1 377.573 3.627 20 0 GHADMP COc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172066770 905331716 /nfs/dbraw/zinc/33/17/16/905331716.db2.gz BFFPORKLPXTCOK-KHUIQGCPSA-N 2 1 380.532 3.904 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125888 905340071 /nfs/dbraw/zinc/34/00/71/905340071.db2.gz RDXVSPCVXBEDMG-BJWYYQGGSA-N 2 1 382.474 3.628 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125888 905340090 /nfs/dbraw/zinc/34/00/90/905340090.db2.gz RDXVSPCVXBEDMG-BJWYYQGGSA-N 2 1 382.474 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125888 905340106 /nfs/dbraw/zinc/34/01/06/905340106.db2.gz RDXVSPCVXBEDMG-BJWYYQGGSA-N 2 1 382.474 3.628 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125888 905340126 /nfs/dbraw/zinc/34/01/26/905340126.db2.gz RDXVSPCVXBEDMG-BJWYYQGGSA-N 2 1 382.474 3.628 20 0 GHADMP C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125398 905340627 /nfs/dbraw/zinc/34/06/27/905340627.db2.gz QOZKRWXIQYJANL-PMOLBWCYSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172125398 905340640 /nfs/dbraw/zinc/34/06/40/905340640.db2.gz QOZKRWXIQYJANL-PMOLBWCYSA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172125398 905340655 /nfs/dbraw/zinc/34/06/55/905340655.db2.gz QOZKRWXIQYJANL-PMOLBWCYSA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172125398 905340668 /nfs/dbraw/zinc/34/06/68/905340668.db2.gz QOZKRWXIQYJANL-PMOLBWCYSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=O)NCc3ccc(Cl)cc3)CC1)C2 ZINC001172130087 905344130 /nfs/dbraw/zinc/34/41/30/905344130.db2.gz HIVKTDNYPKWHSD-WKCHPHFGSA-N 2 1 389.971 3.684 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C(=O)NCc3ccc(Cl)cc3)CC1)C2 ZINC001172130087 905344145 /nfs/dbraw/zinc/34/41/45/905344145.db2.gz HIVKTDNYPKWHSD-WKCHPHFGSA-N 2 1 389.971 3.684 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(OCC3CCOCC3)c(F)c1)C2 ZINC001172113404 905364393 /nfs/dbraw/zinc/36/43/93/905364393.db2.gz GWIMWGPKCYGUPA-REPLKXPHSA-N 2 1 394.506 3.875 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000174948130 905397243 /nfs/dbraw/zinc/39/72/43/905397243.db2.gz GQZRZUNRBDAYEF-HSZRJFAPSA-N 2 1 391.559 3.877 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536187 905639652 /nfs/dbraw/zinc/63/96/52/905639652.db2.gz MGKGABZWVXHRDP-ZROJVYTPSA-N 2 1 395.591 3.591 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536187 905639658 /nfs/dbraw/zinc/63/96/58/905639658.db2.gz MGKGABZWVXHRDP-ZROJVYTPSA-N 2 1 395.591 3.591 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536187 905639662 /nfs/dbraw/zinc/63/96/62/905639662.db2.gz MGKGABZWVXHRDP-ZROJVYTPSA-N 2 1 395.591 3.591 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001172752313 905768536 /nfs/dbraw/zinc/76/85/36/905768536.db2.gz PWSQMGWGTKGXBG-SFHVURJKSA-N 2 1 394.581 3.535 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001172752313 905768547 /nfs/dbraw/zinc/76/85/47/905768547.db2.gz PWSQMGWGTKGXBG-SFHVURJKSA-N 2 1 394.581 3.535 20 0 GHADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172844015 905897048 /nfs/dbraw/zinc/89/70/48/905897048.db2.gz GEVVMSZHJJSMRX-KRWDZBQOSA-N 2 1 389.946 3.947 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)CC2 ZINC001172843704 905897081 /nfs/dbraw/zinc/89/70/81/905897081.db2.gz SWRQHEVPSSOBSZ-SDHOMARFSA-N 2 1 381.608 3.781 20 0 GHADMP C[C@H](CSc1ccc(Cl)cc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172885667 905972140 /nfs/dbraw/zinc/97/21/40/905972140.db2.gz SNIRGZNAYUGZID-QGZVFWFLSA-N 2 1 382.017 3.780 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001172999406 906072965 /nfs/dbraw/zinc/07/29/65/906072965.db2.gz OXODRQFCXYZCKP-QFIPXVFZSA-N 2 1 387.543 3.675 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001172999406 906072973 /nfs/dbraw/zinc/07/29/73/906072973.db2.gz OXODRQFCXYZCKP-QFIPXVFZSA-N 2 1 387.543 3.675 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001173061992 906139238 /nfs/dbraw/zinc/13/92/38/906139238.db2.gz RVPMSBCHEAREFI-APWZRJJASA-N 2 1 391.531 3.864 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+](CC)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001173113849 906203356 /nfs/dbraw/zinc/20/33/56/906203356.db2.gz MWZIOUBHCRZYRV-VHYCJAOWSA-N 2 1 387.612 3.862 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCc4ncsc4C2)CC3)c1 ZINC001173137543 906218959 /nfs/dbraw/zinc/21/89/59/906218959.db2.gz VEOLKNXMVYBPCH-IBGZPJMESA-N 2 1 397.588 3.997 20 0 GHADMP COc1cccc2c1C[C@@H]([NH+]1CCC([NH3+])(Cc3cccc(Cl)c3)CC1)CO2 ZINC001173158298 906245421 /nfs/dbraw/zinc/24/54/21/906245421.db2.gz GVASKDDLFVZNLZ-GOSISDBHSA-N 2 1 386.923 3.688 20 0 GHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001173290855 906368629 /nfs/dbraw/zinc/36/86/29/906368629.db2.gz YCXAPKGBYKKFEO-NFBKMPQASA-N 2 1 383.580 3.622 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)c(C)n2n1 ZINC000179429310 906500940 /nfs/dbraw/zinc/50/09/40/906500940.db2.gz GOWVOIDXVLRQCM-MRXNPFEDSA-N 2 1 396.539 3.514 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001173608379 906561627 /nfs/dbraw/zinc/56/16/27/906561627.db2.gz GSBYFVZRNICCNN-HMXGKDEJSA-N 2 1 384.564 3.795 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001173718731 906668797 /nfs/dbraw/zinc/66/87/97/906668797.db2.gz LWPDOSGQSLAPNF-PWIZWCRZSA-N 2 1 384.545 3.530 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](Cn2cc(-c3cccc(C[NH+]4CCC[C@H]4C)c3)cn2)C1 ZINC000629702779 906971609 /nfs/dbraw/zinc/97/16/09/906971609.db2.gz UWTJWLUPPPMBJQ-AUSIDOKSSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@@H](Cn2cc(-c3cccc(C[N@@H+]4CCC[C@H]4C)c3)cn2)C1 ZINC000629702779 906971618 /nfs/dbraw/zinc/97/16/18/906971618.db2.gz UWTJWLUPPPMBJQ-AUSIDOKSSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@@H](Cn2cc(-c3cccc(C[N@H+]4CCC[C@H]4C)c3)cn2)C1 ZINC000629702779 906971634 /nfs/dbraw/zinc/97/16/34/906971634.db2.gz UWTJWLUPPPMBJQ-AUSIDOKSSA-N 2 1 382.552 3.644 20 0 GHADMP C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181311739 906972733 /nfs/dbraw/zinc/97/27/33/906972733.db2.gz NHGIAHKYUMUSGT-MRXNPFEDSA-N 2 1 382.533 3.996 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[NH+](C)C2CCC2)cc1)C[C@H]1CCCCO1 ZINC000629977425 907082831 /nfs/dbraw/zinc/08/28/31/907082831.db2.gz FJTAHJUEAXQLNN-JOCHJYFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@H+](C)C2CCC2)cc1)C[C@H]1CCCCO1 ZINC000629977425 907082850 /nfs/dbraw/zinc/08/28/50/907082850.db2.gz FJTAHJUEAXQLNN-JOCHJYFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1)C[C@H]1CCCCO1 ZINC000629977425 907082868 /nfs/dbraw/zinc/08/28/68/907082868.db2.gz FJTAHJUEAXQLNN-JOCHJYFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000779438860 907093329 /nfs/dbraw/zinc/09/33/29/907093329.db2.gz PEISABZIAWQVES-KOUNCHBCSA-N 2 1 385.552 3.781 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1OC(F)F ZINC000182268240 907172926 /nfs/dbraw/zinc/17/29/26/907172926.db2.gz VDZPLINQXOPEGS-KDOFPFPSSA-N 2 1 394.437 3.845 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCSC5)C4)[C@@H]3C2)cc1 ZINC000183154383 907339081 /nfs/dbraw/zinc/33/90/81/907339081.db2.gz JGNFUCXMGFATOQ-FWKCKQQBSA-N 2 1 386.605 3.931 20 0 GHADMP COc1cc(Br)ccc1CCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001175070450 907365125 /nfs/dbraw/zinc/36/51/25/907365125.db2.gz UZKSRQUXRPFPMZ-KDURUIRLSA-N 2 1 381.358 3.664 20 0 GHADMP COc1cc(Br)ccc1CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070450 907365134 /nfs/dbraw/zinc/36/51/34/907365134.db2.gz UZKSRQUXRPFPMZ-KDURUIRLSA-N 2 1 381.358 3.664 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070450 907365155 /nfs/dbraw/zinc/36/51/55/907365155.db2.gz UZKSRQUXRPFPMZ-KDURUIRLSA-N 2 1 381.358 3.664 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001175070450 907365171 /nfs/dbraw/zinc/36/51/71/907365171.db2.gz UZKSRQUXRPFPMZ-KDURUIRLSA-N 2 1 381.358 3.664 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001175070450 907365191 /nfs/dbraw/zinc/36/51/91/907365191.db2.gz UZKSRQUXRPFPMZ-KDURUIRLSA-N 2 1 381.358 3.664 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)CC2)nc(C)[nH+]1 ZINC000183701339 907442550 /nfs/dbraw/zinc/44/25/50/907442550.db2.gz QVKPKDQITAQNSL-QHCPKHFHSA-N 2 1 391.494 3.976 20 0 GHADMP C[NH+]1CCN(c2c(F)cccc2NC2=CC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001175506937 907596416 /nfs/dbraw/zinc/59/64/16/907596416.db2.gz KOYDTVBHYXCGGY-UHFFFAOYSA-N 2 1 380.511 3.779 20 0 GHADMP C[NH+]1CCN(c2c(F)cccc2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001175506937 907596429 /nfs/dbraw/zinc/59/64/29/907596429.db2.gz KOYDTVBHYXCGGY-UHFFFAOYSA-N 2 1 380.511 3.779 20 0 GHADMP Cc1[nH]c(C2CC[NH+](CCCCCn3nnc(-c4ccccc4)n3)CC2)[nH+]c1C ZINC001176202816 907980557 /nfs/dbraw/zinc/98/05/57/907980557.db2.gz PKMBZJUBDSYVRR-UHFFFAOYSA-N 2 1 393.539 3.730 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cc1F ZINC000187021416 908020986 /nfs/dbraw/zinc/02/09/86/908020986.db2.gz NHNPEBFFRWNQSN-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(F)c1 ZINC000187801842 908141145 /nfs/dbraw/zinc/14/11/45/908141145.db2.gz CAIUKOZFFPUXTB-QFIPXVFZSA-N 2 1 399.510 3.727 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC001177294951 908499370 /nfs/dbraw/zinc/49/93/70/908499370.db2.gz UIRSOJOUWVNFLB-VMPITWQZSA-N 2 1 385.502 3.905 20 0 GHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)c1 ZINC001177315214 908521470 /nfs/dbraw/zinc/52/14/70/908521470.db2.gz OTLBEFBZAXCEIU-UHFFFAOYSA-N 2 1 399.539 3.955 20 0 GHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001177483110 908593713 /nfs/dbraw/zinc/59/37/13/908593713.db2.gz CVSYDNRLQBPTBE-LSDHHAIUSA-N 2 1 377.520 3.635 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001177483110 908593719 /nfs/dbraw/zinc/59/37/19/908593719.db2.gz CVSYDNRLQBPTBE-LSDHHAIUSA-N 2 1 377.520 3.635 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177626650 908678060 /nfs/dbraw/zinc/67/80/60/908678060.db2.gz QTNPKIBNARKQDN-WOIUINJBSA-N 2 1 399.510 3.682 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177626650 908678068 /nfs/dbraw/zinc/67/80/68/908678068.db2.gz QTNPKIBNARKQDN-WOIUINJBSA-N 2 1 399.510 3.682 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC001177830188 908771509 /nfs/dbraw/zinc/77/15/09/908771509.db2.gz VUDYRDPXYRHZTL-OAQYLSRUSA-N 2 1 379.548 3.819 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000192732289 908818995 /nfs/dbraw/zinc/81/89/95/908818995.db2.gz GNSHEAIWRIJGIK-OAQYLSRUSA-N 2 1 397.567 3.680 20 0 GHADMP CCOc1c(OC)cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC001178458180 909060706 /nfs/dbraw/zinc/06/07/06/909060706.db2.gz TYPNXNGTOCCVEW-SJLPKXTDSA-N 2 1 376.541 3.845 20 0 GHADMP CC(C)C[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)n1ccnc1 ZINC000635443233 909251430 /nfs/dbraw/zinc/25/14/30/909251430.db2.gz FUSHGUNUFGNROG-JOCHJYFZSA-N 2 1 380.536 3.520 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC000267425363 909494157 /nfs/dbraw/zinc/49/41/57/909494157.db2.gz FBKWBAHIAOXSSZ-LJQANCHMSA-N 2 1 390.572 3.603 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1Cl ZINC000268030807 909745093 /nfs/dbraw/zinc/74/50/93/909745093.db2.gz MGWPQYNELNPPKA-UHFFFAOYSA-N 2 1 381.929 3.656 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(COc2ccccc2)c1 ZINC001179925999 909808509 /nfs/dbraw/zinc/80/85/09/909808509.db2.gz VNFAASQAYTXCJK-NHTMILBNSA-N 2 1 380.532 3.949 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000089144636 909813352 /nfs/dbraw/zinc/81/33/52/909813352.db2.gz NRZVMZKEGNIVHM-UHFFFAOYSA-N 2 1 375.557 3.873 20 0 GHADMP Cc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc2cccnc12 ZINC001180188893 909986977 /nfs/dbraw/zinc/98/69/77/909986977.db2.gz LBAWYRKJCRJHOF-UHFFFAOYSA-N 2 1 388.559 3.793 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000268785976 910015052 /nfs/dbraw/zinc/01/50/52/910015052.db2.gz VUCHZDSWDUWVBG-HYBUGGRVSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268871372 910052295 /nfs/dbraw/zinc/05/22/95/910052295.db2.gz IVMVBTZOQHUHSQ-KNQAVFIVSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268871372 910052305 /nfs/dbraw/zinc/05/23/05/910052305.db2.gz IVMVBTZOQHUHSQ-KNQAVFIVSA-N 2 1 395.547 3.782 20 0 GHADMP CN(C(=O)Nc1ccc(Cl)nc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000246044557 910058169 /nfs/dbraw/zinc/05/81/69/910058169.db2.gz APRFAGRLCJWGPH-QZTJIDSGSA-N 2 1 393.963 3.536 20 0 GHADMP CCN(CC)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001274451101 910066579 /nfs/dbraw/zinc/06/65/79/910066579.db2.gz KWRVRONQFWINGQ-TZIWHRDSSA-N 2 1 377.960 3.667 20 0 GHADMP CC(=O)N1CC[C@H](C[N@H+](C)C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000638181600 910077802 /nfs/dbraw/zinc/07/78/02/910077802.db2.gz HWCXEBJHXVYVEA-VWNXMTODSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638181600 910077806 /nfs/dbraw/zinc/07/78/06/910077806.db2.gz HWCXEBJHXVYVEA-VWNXMTODSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638181600 910077811 /nfs/dbraw/zinc/07/78/11/910077811.db2.gz HWCXEBJHXVYVEA-VWNXMTODSA-N 2 1 385.596 3.725 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)C2)n(C)n1 ZINC000639122262 910324519 /nfs/dbraw/zinc/32/45/19/910324519.db2.gz CNAWKCIFXKRLDL-GIWBLDEGSA-N 2 1 393.579 3.655 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)C2)n(C)n1 ZINC000639122262 910324524 /nfs/dbraw/zinc/32/45/24/910324524.db2.gz CNAWKCIFXKRLDL-GIWBLDEGSA-N 2 1 393.579 3.655 20 0 GHADMP O=c1c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cccn1C(F)F ZINC000639194432 910346161 /nfs/dbraw/zinc/34/61/61/910346161.db2.gz CKLGYKWZLGAQPU-GOSISDBHSA-N 2 1 375.463 3.635 20 0 GHADMP O=c1c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccn1C(F)F ZINC000639194432 910346173 /nfs/dbraw/zinc/34/61/73/910346173.db2.gz CKLGYKWZLGAQPU-GOSISDBHSA-N 2 1 375.463 3.635 20 0 GHADMP CCN(c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1)C(C)C ZINC000246533686 910359084 /nfs/dbraw/zinc/35/90/84/910359084.db2.gz JYHZRLOHSTWXFX-WIYYLYMNSA-N 2 1 383.540 3.639 20 0 GHADMP CCN(c1ccc(NC(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1)C(C)C ZINC000246533686 910359100 /nfs/dbraw/zinc/35/91/00/910359100.db2.gz JYHZRLOHSTWXFX-WIYYLYMNSA-N 2 1 383.540 3.639 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639242205 910362130 /nfs/dbraw/zinc/36/21/30/910362130.db2.gz OAPLSMPROVDEDR-MXNKGDRCSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCO1 ZINC000639242205 910362147 /nfs/dbraw/zinc/36/21/47/910362147.db2.gz OAPLSMPROVDEDR-MXNKGDRCSA-N 2 1 380.536 3.598 20 0 GHADMP Fc1ccc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639776767 910658477 /nfs/dbraw/zinc/65/84/77/910658477.db2.gz FRNJAKCMDPBNNG-FCHUYYIVSA-N 2 1 394.498 3.946 20 0 GHADMP Fc1ccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1CN1CCC[C@@H]1c1cn[nH]c1 ZINC000639776767 910658486 /nfs/dbraw/zinc/65/84/86/910658486.db2.gz FRNJAKCMDPBNNG-FCHUYYIVSA-N 2 1 394.498 3.946 20 0 GHADMP CC(CC[NH+]1CCC[C@@H]1c1ncccn1)CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639863665 910709737 /nfs/dbraw/zinc/70/97/37/910709737.db2.gz AGZRWPUUGURMFL-WOJBJXKFSA-N 2 1 380.540 3.657 20 0 GHADMP Fc1ccc(N2CCC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)CC2)c(F)c1 ZINC000271541762 910950212 /nfs/dbraw/zinc/95/02/12/910950212.db2.gz YNFJKUOGYCOTFJ-UHFFFAOYSA-N 2 1 393.522 3.558 20 0 GHADMP C[C@H](c1ccncc1)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000271560277 910959602 /nfs/dbraw/zinc/95/96/02/910959602.db2.gz WTEOEGQYHVMLLS-OAQYLSRUSA-N 2 1 392.591 3.904 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ncc1F ZINC000273850614 911056176 /nfs/dbraw/zinc/05/61/76/911056176.db2.gz JUHWIYTTYKVJAW-MJBXVCDLSA-N 2 1 388.325 3.523 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000801922059 921630377 /nfs/dbraw/zinc/63/03/77/921630377.db2.gz DVIYWTWGBKWBJX-VQTJNVASSA-N 2 1 379.589 3.974 20 0 GHADMP COC(=O)CCC[NH+]1CCC(Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000274193134 911256984 /nfs/dbraw/zinc/25/69/84/911256984.db2.gz IOVIKESCGXMFRD-UHFFFAOYSA-N 2 1 398.551 3.884 20 0 GHADMP O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182558471 911849856 /nfs/dbraw/zinc/84/98/56/911849856.db2.gz XIYHRYMXNOHIEW-PKTZIBPZSA-N 2 1 381.564 3.843 20 0 GHADMP C[C@@H]1CC[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001182543700 911866053 /nfs/dbraw/zinc/86/60/53/911866053.db2.gz MEALHFKTKVRQQV-HVHOJJEHSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1CC[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001182543700 911866071 /nfs/dbraw/zinc/86/60/71/911866071.db2.gz MEALHFKTKVRQQV-HVHOJJEHSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1CC[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001182543700 911866082 /nfs/dbraw/zinc/86/60/82/911866082.db2.gz MEALHFKTKVRQQV-HVHOJJEHSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC001182543700 911866099 /nfs/dbraw/zinc/86/60/99/911866099.db2.gz MEALHFKTKVRQQV-HVHOJJEHSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC001182543700 911866115 /nfs/dbraw/zinc/86/61/15/911866115.db2.gz MEALHFKTKVRQQV-HVHOJJEHSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001182826046 912069767 /nfs/dbraw/zinc/06/97/67/912069767.db2.gz NMOHORVVAZGSPJ-KBMIEXCESA-N 2 1 378.560 3.853 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947391 914943670 /nfs/dbraw/zinc/94/36/70/914943670.db2.gz YTADPAODSXGCQC-TZRRMPRUSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947391 914943682 /nfs/dbraw/zinc/94/36/82/914943682.db2.gz YTADPAODSXGCQC-TZRRMPRUSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000646947391 914943693 /nfs/dbraw/zinc/94/36/93/914943693.db2.gz YTADPAODSXGCQC-TZRRMPRUSA-N 2 1 391.559 3.503 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnn3CC(C)C)CC2)cs1 ZINC000647182261 915072993 /nfs/dbraw/zinc/07/29/93/915072993.db2.gz RNMQAHVYBFRXLI-UHFFFAOYSA-N 2 1 375.586 3.560 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)NCc1cccs1 ZINC000647334727 915157465 /nfs/dbraw/zinc/15/74/65/915157465.db2.gz QUAZHLACZJEIFY-UXPWSPDFSA-N 2 1 377.598 3.776 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000647977074 915459990 /nfs/dbraw/zinc/45/99/90/915459990.db2.gz XREBUSXSCLOXRU-SXWKCWPCSA-N 2 1 397.588 3.665 20 0 GHADMP COc1ncncc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000648039353 915493828 /nfs/dbraw/zinc/49/38/28/915493828.db2.gz FEHAGDCLYQNESG-OAQYLSRUSA-N 2 1 380.536 3.608 20 0 GHADMP COc1ncncc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000648039353 915493837 /nfs/dbraw/zinc/49/38/37/915493837.db2.gz FEHAGDCLYQNESG-OAQYLSRUSA-N 2 1 380.536 3.608 20 0 GHADMP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000292898421 915894450 /nfs/dbraw/zinc/89/44/50/915894450.db2.gz DIOIMVRKHOSQTD-NTKDMRAZSA-N 2 1 398.522 3.915 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000648904833 915932136 /nfs/dbraw/zinc/93/21/36/915932136.db2.gz VRSDMRHKACUEFF-YLJYHZDGSA-N 2 1 386.540 3.603 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn2)cn1 ZINC000293317626 916121091 /nfs/dbraw/zinc/12/10/91/916121091.db2.gz LVOFWOFICFUUNX-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)cc1 ZINC000293766584 916370096 /nfs/dbraw/zinc/37/00/96/916370096.db2.gz RSNUJCPVIWQCOQ-GOSISDBHSA-N 2 1 376.504 3.868 20 0 GHADMP Cc1ccc(C[C@H](C)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000361056677 916475077 /nfs/dbraw/zinc/47/50/77/916475077.db2.gz ZDDBURDMRTXXSS-NRFANRHFSA-N 2 1 399.623 3.828 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000650417254 916968292 /nfs/dbraw/zinc/96/82/92/916968292.db2.gz VXVPEQYKEGKISE-IEBWSBKVSA-N 2 1 390.597 3.821 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1cccc(C(F)(F)F)n1)C1CC[NH+](C)CC1 ZINC000294771311 916968663 /nfs/dbraw/zinc/96/86/63/916968663.db2.gz KEJYKARFCVXBSO-UHFFFAOYSA-N 2 1 392.469 3.921 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c2ncccc12 ZINC001190650660 917481773 /nfs/dbraw/zinc/48/17/73/917481773.db2.gz DAMYJXSPQYQWNM-IBGZPJMESA-N 2 1 395.547 3.965 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c2ncccc12 ZINC001190650660 917481779 /nfs/dbraw/zinc/48/17/79/917481779.db2.gz DAMYJXSPQYQWNM-IBGZPJMESA-N 2 1 395.547 3.965 20 0 GHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cs1 ZINC000295797418 917505125 /nfs/dbraw/zinc/50/51/25/917505125.db2.gz BYWNUYJRXKANRA-KRWDZBQOSA-N 2 1 387.549 3.568 20 0 GHADMP COc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(F)cc1Br ZINC001205541176 917567076 /nfs/dbraw/zinc/56/70/76/917567076.db2.gz NOHQUKHGQOQLCL-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(F)cc1Br ZINC001205541176 917567082 /nfs/dbraw/zinc/56/70/82/917567082.db2.gz NOHQUKHGQOQLCL-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP CC1CCC(OC2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001190935088 917648096 /nfs/dbraw/zinc/64/80/96/917648096.db2.gz PZVCIODOIJWKDB-LLAFXHEGSA-N 2 1 386.580 3.683 20 0 GHADMP CC1CCC(OC2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001190935088 917648101 /nfs/dbraw/zinc/64/81/01/917648101.db2.gz PZVCIODOIJWKDB-LLAFXHEGSA-N 2 1 386.580 3.683 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000652362916 917882890 /nfs/dbraw/zinc/88/28/90/917882890.db2.gz SPPZQFKQVIATQE-YMPZKCBVSA-N 2 1 393.531 3.800 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000652610250 917951087 /nfs/dbraw/zinc/95/10/87/917951087.db2.gz QUDYFCZBZGLAHE-FHWLQOOXSA-N 2 1 380.536 3.921 20 0 GHADMP CC[C@H](C)C[N@H+](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191374942 917980296 /nfs/dbraw/zinc/98/02/96/917980296.db2.gz MFBCSSXTHUVEDC-FXAWDEMLSA-N 2 1 379.976 3.961 20 0 GHADMP CC[C@H](C)C[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191374942 917980305 /nfs/dbraw/zinc/98/03/05/917980305.db2.gz MFBCSSXTHUVEDC-FXAWDEMLSA-N 2 1 379.976 3.961 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(SCC[NH+]3CCCC3)cc1)C2 ZINC000652870557 918041310 /nfs/dbraw/zinc/04/13/10/918041310.db2.gz AQCFZATWZXYVEE-QGZVFWFLSA-N 2 1 384.549 3.581 20 0 GHADMP O=C(Cn1c[nH+]c2c1CCCC2)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000652871679 918041879 /nfs/dbraw/zinc/04/18/79/918041879.db2.gz RBAJIIBNLYCKHS-UHFFFAOYSA-N 2 1 384.549 3.589 20 0 GHADMP CCOC(=O)c1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC001191551536 918067651 /nfs/dbraw/zinc/06/76/51/918067651.db2.gz QVALPUZPWLGQAY-MRXNPFEDSA-N 2 1 379.570 3.796 20 0 GHADMP CCOC(=O)c1ncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)s1 ZINC001191551536 918067668 /nfs/dbraw/zinc/06/76/68/918067668.db2.gz QVALPUZPWLGQAY-MRXNPFEDSA-N 2 1 379.570 3.796 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCc1c(C)noc1C ZINC000363372364 918166842 /nfs/dbraw/zinc/16/68/42/918166842.db2.gz WIHHDTSYOQIABH-MOPGFXCFSA-N 2 1 385.508 3.595 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCc1c(C)noc1C ZINC000363372364 918166849 /nfs/dbraw/zinc/16/68/49/918166849.db2.gz WIHHDTSYOQIABH-MOPGFXCFSA-N 2 1 385.508 3.595 20 0 GHADMP Cc1nccn1CCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000796549028 918172544 /nfs/dbraw/zinc/17/25/44/918172544.db2.gz RTSROQZDKGSISJ-FQEVSTJZSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000796549028 918172554 /nfs/dbraw/zinc/17/25/54/918172554.db2.gz RTSROQZDKGSISJ-FQEVSTJZSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000796549028 918172560 /nfs/dbraw/zinc/17/25/60/918172560.db2.gz RTSROQZDKGSISJ-FQEVSTJZSA-N 2 1 376.545 3.695 20 0 GHADMP C[C@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000653239624 918196777 /nfs/dbraw/zinc/19/67/77/918196777.db2.gz CMYUCKFBVLYXKR-WMZHIEFXSA-N 2 1 379.548 3.908 20 0 GHADMP COc1ccc(C[C@H]([NH2+]CCCc2c[nH+]cn2C)c2ccc(OC)cc2)cc1 ZINC000653572403 918317514 /nfs/dbraw/zinc/31/75/14/918317514.db2.gz BWUWSKCRANKLRZ-QHCPKHFHSA-N 2 1 379.504 3.944 20 0 GHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653617205 918360407 /nfs/dbraw/zinc/36/04/07/918360407.db2.gz JVFWXMOSTVTVDY-AZUAARDMSA-N 2 1 381.524 3.863 20 0 GHADMP CC(C)CO[C@H]1CC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001192175047 918523507 /nfs/dbraw/zinc/52/35/07/918523507.db2.gz WMTHNBVXCYXPQE-NRFANRHFSA-N 2 1 379.976 3.599 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3cccc4ccccc43)CC2)CC1 ZINC000654586668 919235276 /nfs/dbraw/zinc/23/52/76/919235276.db2.gz XOARVWBYKLQCMC-UHFFFAOYSA-N 2 1 379.548 3.999 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000298754791 920889344 /nfs/dbraw/zinc/88/93/44/920889344.db2.gz SFGSFTFNSAYLLE-VQTJNVASSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000298754791 920889353 /nfs/dbraw/zinc/88/93/53/920889353.db2.gz SFGSFTFNSAYLLE-VQTJNVASSA-N 2 1 381.524 3.803 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902395620 922159028 /nfs/dbraw/zinc/15/90/28/922159028.db2.gz CUCPVIFFOFSEFM-OAHLLOKOSA-N 2 1 376.373 3.677 20 0 GHADMP CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000902789082 922500083 /nfs/dbraw/zinc/50/00/83/922500083.db2.gz HSBQDALZDBHDPG-NFBKMPQASA-N 2 1 390.568 3.614 20 0 GHADMP c1ccc([C@@H](CCc2cccnc2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000902796388 922503234 /nfs/dbraw/zinc/50/32/34/922503234.db2.gz PHWVQLVAEFNLAT-HSZRJFAPSA-N 2 1 379.548 3.990 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cn1 ZINC000902947479 922628228 /nfs/dbraw/zinc/62/82/28/922628228.db2.gz JIRDGRJRGWJOJY-KSSFIOAISA-N 2 1 379.426 3.518 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cn1 ZINC000902947479 922628237 /nfs/dbraw/zinc/62/82/37/922628237.db2.gz JIRDGRJRGWJOJY-KSSFIOAISA-N 2 1 379.426 3.518 20 0 GHADMP Cn1cc(-c2ncc(C[NH2+]Cc3ccccc3C[NH+]3CCCCCC3)cn2)cn1 ZINC000368437383 922673940 /nfs/dbraw/zinc/67/39/40/922673940.db2.gz FIVSSNLWFHOLJQ-UHFFFAOYSA-N 2 1 390.535 3.543 20 0 GHADMP Fc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1F ZINC000903074867 922750750 /nfs/dbraw/zinc/75/07/50/922750750.db2.gz PFTFDHNDJMDMIE-CTXDPNEZSA-N 2 1 375.507 3.677 20 0 GHADMP C[NH+](C)CC[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccnc1 ZINC000903376559 922972984 /nfs/dbraw/zinc/97/29/84/922972984.db2.gz FJHMHMJGRKHANU-XZOQPEGZSA-N 2 1 378.564 3.861 20 0 GHADMP OC1(C(F)(F)F)CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)(c2ccccc2)C1 ZINC000903398472 922988127 /nfs/dbraw/zinc/98/81/27/922988127.db2.gz KCTKJJZKBCCPFJ-OYHIEOHYSA-N 2 1 394.481 3.759 20 0 GHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903740558 923242469 /nfs/dbraw/zinc/24/24/69/923242469.db2.gz WSMICYUFBQLJIU-SELNLUPBSA-N 2 1 382.552 3.565 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OCc1ccc(F)cc1 ZINC000903957004 923434860 /nfs/dbraw/zinc/43/48/60/923434860.db2.gz OVBAPZVLKAEKQV-QGZVFWFLSA-N 2 1 394.437 3.748 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc(C)c1OCc1ccccn1 ZINC000903958211 923437269 /nfs/dbraw/zinc/43/72/69/923437269.db2.gz XDYPORRROSFBEX-SFHVURJKSA-N 2 1 375.463 3.612 20 0 GHADMP c1coc(-c2nnc(CN3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)o2)c1 ZINC000370650773 924230322 /nfs/dbraw/zinc/23/03/22/924230322.db2.gz NGDIQQAZXONMIZ-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP c1coc(-c2nnc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)o2)c1 ZINC000370650773 924230335 /nfs/dbraw/zinc/23/03/35/924230335.db2.gz NGDIQQAZXONMIZ-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP c1coc(-c2nnc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)o2)c1 ZINC000370650773 924230347 /nfs/dbraw/zinc/23/03/47/924230347.db2.gz NGDIQQAZXONMIZ-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cccc(Br)c1 ZINC000370704505 924266546 /nfs/dbraw/zinc/26/65/46/924266546.db2.gz ZPFCCQSKQCPGLQ-HLIPFELVSA-N 2 1 394.401 3.510 20 0 GHADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cccc(Br)c1 ZINC000370704505 924266554 /nfs/dbraw/zinc/26/65/54/924266554.db2.gz ZPFCCQSKQCPGLQ-HLIPFELVSA-N 2 1 394.401 3.510 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000677830807 924513066 /nfs/dbraw/zinc/51/30/66/924513066.db2.gz JTBALVVVUAPHLZ-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc4ccccc4nc3Cl)CC2)CC1 ZINC000371342804 924535839 /nfs/dbraw/zinc/53/58/39/924535839.db2.gz CDYJTRWHFDJOBH-UHFFFAOYSA-N 2 1 386.971 3.879 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000678240031 924683543 /nfs/dbraw/zinc/68/35/43/924683543.db2.gz CTUGDLITHQGMAJ-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000678240031 924683545 /nfs/dbraw/zinc/68/35/45/924683545.db2.gz CTUGDLITHQGMAJ-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000678277127 924703285 /nfs/dbraw/zinc/70/32/85/924703285.db2.gz QZPBQZBDEPPRKD-HXUWFJFHSA-N 2 1 384.495 3.861 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678338500 924732119 /nfs/dbraw/zinc/73/21/19/924732119.db2.gz BUZBAWLOMKOWFG-XUZZJYLKSA-N 3 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678338500 924732122 /nfs/dbraw/zinc/73/21/22/924732122.db2.gz BUZBAWLOMKOWFG-XUZZJYLKSA-N 3 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678338500 924732123 /nfs/dbraw/zinc/73/21/23/924732123.db2.gz BUZBAWLOMKOWFG-XUZZJYLKSA-N 3 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000678338500 924732130 /nfs/dbraw/zinc/73/21/30/924732130.db2.gz BUZBAWLOMKOWFG-XUZZJYLKSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000678338500 924732153 /nfs/dbraw/zinc/73/21/53/924732153.db2.gz BUZBAWLOMKOWFG-XUZZJYLKSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678338500 924732162 /nfs/dbraw/zinc/73/21/62/924732162.db2.gz BUZBAWLOMKOWFG-XUZZJYLKSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678338500 924732169 /nfs/dbraw/zinc/73/21/69/924732169.db2.gz BUZBAWLOMKOWFG-XUZZJYLKSA-N 2 1 383.580 3.610 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2csc(-c3cnn(C)c3)n2)CC1)CC1CC1 ZINC000678469776 924787861 /nfs/dbraw/zinc/78/78/61/924787861.db2.gz GJQVAHPNYDCTGH-UHFFFAOYSA-N 2 1 387.597 3.878 20 0 GHADMP Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000678714666 924892926 /nfs/dbraw/zinc/89/29/26/924892926.db2.gz ICBSUMBHFJWBHG-UHFFFAOYSA-N 2 1 392.609 3.747 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394882 925122353 /nfs/dbraw/zinc/12/23/53/925122353.db2.gz RJLOUTGWGAFRTA-GPJHCHHRSA-N 2 1 381.564 3.563 20 0 GHADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)C ZINC000680037297 925337951 /nfs/dbraw/zinc/33/79/51/925337951.db2.gz FSJNZWLBAJZHKL-MLDBQTBOSA-N 2 1 385.596 3.911 20 0 GHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C)c1F ZINC000372361668 925362293 /nfs/dbraw/zinc/36/22/93/925362293.db2.gz RTCPAJWQHDFHAO-UHFFFAOYSA-N 2 1 389.559 3.711 20 0 GHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000411248702 926252788 /nfs/dbraw/zinc/25/27/88/926252788.db2.gz BQUDBUFLLOHWNY-OAQYLSRUSA-N 2 1 379.552 3.590 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411553143 926508589 /nfs/dbraw/zinc/50/85/89/926508589.db2.gz QTKOAXYSAHYVRY-RXVVDRJESA-N 2 1 376.504 3.779 20 0 GHADMP C[C@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000374201208 926893378 /nfs/dbraw/zinc/89/33/78/926893378.db2.gz HRZDJELTCDYDIY-HXUWFJFHSA-N 2 1 385.596 3.835 20 0 GHADMP CC[N@H+](Cc1occc1C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000412024959 927013365 /nfs/dbraw/zinc/01/33/65/927013365.db2.gz GVMGSCWBZPEDAM-IBGZPJMESA-N 2 1 383.536 3.579 20 0 GHADMP CC[N@@H+](Cc1occc1C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000412024959 927013377 /nfs/dbraw/zinc/01/33/77/927013377.db2.gz GVMGSCWBZPEDAM-IBGZPJMESA-N 2 1 383.536 3.579 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1cccnc1Cl ZINC000374530462 927250821 /nfs/dbraw/zinc/25/08/21/927250821.db2.gz MHDJNDGCLWHUPN-SFHVURJKSA-N 2 1 386.927 3.564 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751087331 928022677 /nfs/dbraw/zinc/02/26/77/928022677.db2.gz NKVJHZMPGISGEG-HDYDNRTBSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000751092929 928025036 /nfs/dbraw/zinc/02/50/36/928025036.db2.gz FRULITJGRHITAA-KPQWGBOZSA-N 2 1 386.584 3.603 20 0 GHADMP CC(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000467157651 928769953 /nfs/dbraw/zinc/76/99/53/928769953.db2.gz IQSHRRFBGBRGNN-IBGZPJMESA-N 2 1 375.582 3.542 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000544370541 929100562 /nfs/dbraw/zinc/10/05/62/929100562.db2.gz GTLGBPTXKVMPER-QGZVFWFLSA-N 2 1 390.413 3.628 20 0 GHADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000467685260 929302261 /nfs/dbraw/zinc/30/22/61/929302261.db2.gz GIKKUUMJDBMJJS-RDPSFJRHSA-N 2 1 391.559 3.678 20 0 GHADMP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753541342 929399141 /nfs/dbraw/zinc/39/91/41/929399141.db2.gz HRAHJOZEFUFDBO-HXUWFJFHSA-N 2 1 399.539 3.797 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000753544760 929404042 /nfs/dbraw/zinc/40/40/42/929404042.db2.gz OORRCVSUEHDBRO-QFIPXVFZSA-N 2 1 388.471 3.905 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000467854202 929510105 /nfs/dbraw/zinc/51/01/05/929510105.db2.gz VMFQPGHGFHKCED-UZLBHIALSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000467854202 929510108 /nfs/dbraw/zinc/51/01/08/929510108.db2.gz VMFQPGHGFHKCED-UZLBHIALSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000753851239 929562658 /nfs/dbraw/zinc/56/26/58/929562658.db2.gz SXPLQVBXXIFMPY-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1CCCCCC1 ZINC000469531986 929971213 /nfs/dbraw/zinc/97/12/13/929971213.db2.gz YFNZNKDFYWMGTR-QFBILLFUSA-N 2 1 397.485 3.660 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000469874162 930226675 /nfs/dbraw/zinc/22/66/75/930226675.db2.gz VGNRVHAIRLYYQG-FDDCHVKYSA-N 2 1 395.522 3.573 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000470480533 930651077 /nfs/dbraw/zinc/65/10/77/930651077.db2.gz VQOVBGWFEWAWHJ-UHFFFAOYSA-N 2 1 388.600 3.631 20 0 GHADMP C[C@@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781379961 930823132 /nfs/dbraw/zinc/82/31/32/930823132.db2.gz ZLIDAOPUZICFJT-KQLGTBKOSA-N 2 1 390.616 3.736 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[NH+]2CCCC2)cc1 ZINC000470733011 930867225 /nfs/dbraw/zinc/86/72/25/930867225.db2.gz MNQJBJDNVPYLAC-FYYLOGMGSA-N 2 1 398.595 3.505 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2)C[C@H](C2CC2)O1 ZINC000470916252 931027337 /nfs/dbraw/zinc/02/73/37/931027337.db2.gz IRYFZINOVVHYNP-LYWNTADJSA-N 2 1 384.564 3.685 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2)C[C@H](C2CC2)O1 ZINC000470916252 931027346 /nfs/dbraw/zinc/02/73/46/931027346.db2.gz IRYFZINOVVHYNP-LYWNTADJSA-N 2 1 384.564 3.685 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2)C[C@H](C2CC2)O1 ZINC000470916252 931027348 /nfs/dbraw/zinc/02/73/48/931027348.db2.gz IRYFZINOVVHYNP-LYWNTADJSA-N 2 1 384.564 3.685 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924659863 931465963 /nfs/dbraw/zinc/46/59/63/931465963.db2.gz MHULLQMCLCMJDC-AWEZNQCLSA-N 2 1 392.897 3.822 20 0 GHADMP CC(C)c1ccc([C@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924662441 931466192 /nfs/dbraw/zinc/46/61/92/931466192.db2.gz RAJYHGIWUFGCRR-DEOSSOPVSA-N 2 1 380.580 3.912 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000783325817 931520466 /nfs/dbraw/zinc/52/04/66/931520466.db2.gz CBEARABIYYJTFG-NMLBUPMWSA-N 2 1 397.604 3.549 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C(C)(C)O)cc1 ZINC000924777533 931534590 /nfs/dbraw/zinc/53/45/90/931534590.db2.gz QJDYLWLJIDENIZ-OALUTQOASA-N 2 1 382.548 3.986 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C(C)(C)O)cc1 ZINC000924777533 931534592 /nfs/dbraw/zinc/53/45/92/931534592.db2.gz QJDYLWLJIDENIZ-OALUTQOASA-N 2 1 382.548 3.986 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@@H]3C)CC2)oc1C ZINC000925037016 931620357 /nfs/dbraw/zinc/62/03/57/931620357.db2.gz GRYNCVKEGUJXBC-AUSIDOKSSA-N 2 1 396.579 3.756 20 0 GHADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000925513464 931808650 /nfs/dbraw/zinc/80/86/50/931808650.db2.gz GRGTYZWPFZXTGK-SBHAEUEKSA-N 2 1 386.561 3.675 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000558102480 931839926 /nfs/dbraw/zinc/83/99/26/931839926.db2.gz DQDRWDDRIJGUMP-QFIPXVFZSA-N 2 1 387.955 3.877 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@@H]2CCC[C@@H]21 ZINC000796746579 932052369 /nfs/dbraw/zinc/05/23/69/932052369.db2.gz UBLMSTHUCXCGMG-ACRUOGEOSA-N 2 1 387.568 3.716 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796835623 932084715 /nfs/dbraw/zinc/08/47/15/932084715.db2.gz DEDIMNSUNRGWDV-ZWKOTPCHSA-N 2 1 390.572 3.869 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796835623 932084724 /nfs/dbraw/zinc/08/47/24/932084724.db2.gz DEDIMNSUNRGWDV-ZWKOTPCHSA-N 2 1 390.572 3.869 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000797084380 932175691 /nfs/dbraw/zinc/17/56/91/932175691.db2.gz QENZKCKVAZMRJC-TZIWHRDSSA-N 2 1 381.520 3.878 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000798273026 932585540 /nfs/dbraw/zinc/58/55/40/932585540.db2.gz OTNXJJVDDHHDOQ-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000798273026 932585548 /nfs/dbraw/zinc/58/55/48/932585548.db2.gz OTNXJJVDDHHDOQ-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP CCN(c1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1)C(C)C ZINC000799177539 932899206 /nfs/dbraw/zinc/89/92/06/932899206.db2.gz UFRKCCIRFKXIPS-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000799178276 932900337 /nfs/dbraw/zinc/90/03/37/932900337.db2.gz QXALWJWVDOTFKM-LJQANCHMSA-N 2 1 379.548 3.825 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000560257826 933165065 /nfs/dbraw/zinc/16/50/65/933165065.db2.gz RWEWYGHMGJTFHR-DFXJHMEVSA-N 2 1 393.575 3.798 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(C)cc2c1Cl ZINC001115940217 933252606 /nfs/dbraw/zinc/25/26/06/933252606.db2.gz ZHPIFZUTEBEKAB-MRXNPFEDSA-N 2 1 390.959 3.618 20 0 GHADMP Cc1cc(C)c(NC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000560429729 933255471 /nfs/dbraw/zinc/25/54/71/933255471.db2.gz BIKHHLGZNJTECL-HDICACEKSA-N 2 1 388.556 3.750 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001116023571 933288876 /nfs/dbraw/zinc/28/88/76/933288876.db2.gz JEJDKLYVOCVOQT-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001116023571 933288883 /nfs/dbraw/zinc/28/88/83/933288883.db2.gz JEJDKLYVOCVOQT-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)[C@H](C)C1 ZINC000560524558 933311422 /nfs/dbraw/zinc/31/14/22/933311422.db2.gz FYUDJRMQUCCEQY-POAQFYNOSA-N 2 1 378.557 3.800 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000560536573 933321869 /nfs/dbraw/zinc/32/18/69/933321869.db2.gz NWUURFDHFBNHJS-VGOFRKELSA-N 2 1 393.531 3.969 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000560536573 933321881 /nfs/dbraw/zinc/32/18/81/933321881.db2.gz NWUURFDHFBNHJS-VGOFRKELSA-N 2 1 393.531 3.969 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000561046671 933815420 /nfs/dbraw/zinc/81/54/20/933815420.db2.gz YCNIECBJGNPJEB-CYGODWOOSA-N 2 1 392.547 3.610 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c1 ZINC000561115335 933881264 /nfs/dbraw/zinc/88/12/64/933881264.db2.gz XKLJKFGUMMMONI-UHFFFAOYSA-N 2 1 386.499 3.958 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117672793 933978402 /nfs/dbraw/zinc/97/84/02/933978402.db2.gz UMWPUAPLKYGZDR-SNWXZZBVSA-N 2 1 398.595 3.746 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)CC2)CC1 ZINC000930751115 934218430 /nfs/dbraw/zinc/21/84/30/934218430.db2.gz LWNDVCOQHHVMEE-NHCUHLMSSA-N 2 1 377.523 3.527 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C(F)(F)F ZINC001119943402 934422096 /nfs/dbraw/zinc/42/20/96/934422096.db2.gz PBJMRJMXWWDQHA-TWMKSMIVSA-N 2 1 378.479 3.607 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435220 934557011 /nfs/dbraw/zinc/55/70/11/934557011.db2.gz JGPNJZLOUJCJBK-RWMBFGLXSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435220 934557020 /nfs/dbraw/zinc/55/70/20/934557020.db2.gz JGPNJZLOUJCJBK-RWMBFGLXSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435220 934557024 /nfs/dbraw/zinc/55/70/24/934557024.db2.gz JGPNJZLOUJCJBK-RWMBFGLXSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435220 934557035 /nfs/dbraw/zinc/55/70/35/934557035.db2.gz JGPNJZLOUJCJBK-RWMBFGLXSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001137611057 935626057 /nfs/dbraw/zinc/62/60/57/935626057.db2.gz NQAZZXYKVNGYIV-TXTKFYIRSA-N 2 1 397.538 3.578 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000828575873 935666482 /nfs/dbraw/zinc/66/64/82/935666482.db2.gz RBIBXLFBZDSQTJ-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4c[nH]c5ccc(Cl)cc45)C[C@@H]3C2)cn1 ZINC001137710339 935738613 /nfs/dbraw/zinc/73/86/13/935738613.db2.gz ZWRQVDGAHCZZPN-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5ccc(Cl)cc45)C[C@@H]3C2)cn1 ZINC001137710339 935738617 /nfs/dbraw/zinc/73/86/17/935738617.db2.gz ZWRQVDGAHCZZPN-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5ccc(Cl)cc45)C[C@@H]3C2)cn1 ZINC001137710339 935738619 /nfs/dbraw/zinc/73/86/19/935738619.db2.gz ZWRQVDGAHCZZPN-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5ccc(Cl)cc45)C[C@@H]3C2)cn1 ZINC001137710339 935738622 /nfs/dbraw/zinc/73/86/22/935738622.db2.gz ZWRQVDGAHCZZPN-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5ccc(Cl)cc45)C[C@@H]3C2)cn1 ZINC001137710339 935738626 /nfs/dbraw/zinc/73/86/26/935738626.db2.gz ZWRQVDGAHCZZPN-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP C(CCCC[NH+]1CC[C@@H]2OCC[C@@H]2C1)CCCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829588911 935831804 /nfs/dbraw/zinc/83/18/04/935831804.db2.gz YCPFPSMHSZUXJL-LUKWVAJMSA-N 2 1 378.601 3.939 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001137995025 935915006 /nfs/dbraw/zinc/91/50/06/935915006.db2.gz OEOYZVFJJOHJNR-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP CC(=O)Oc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001138048005 935952396 /nfs/dbraw/zinc/95/23/96/935952396.db2.gz HUUDGYJXHGLPBO-DHIUTWEWSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001138048005 935952399 /nfs/dbraw/zinc/95/23/99/935952399.db2.gz HUUDGYJXHGLPBO-DHIUTWEWSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001138048005 935952401 /nfs/dbraw/zinc/95/24/01/935952401.db2.gz HUUDGYJXHGLPBO-DHIUTWEWSA-N 2 1 378.516 3.956 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001220705027 1032073542 /nfs/dbraw/zinc/07/35/42/1032073542.db2.gz VDCICLJVWOHUJN-FQEVSTJZSA-N 2 1 380.621 3.650 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001626110691 1014752542 /nfs/dbraw/zinc/75/25/42/1014752542.db2.gz DTXZQUREJULJLY-YFNKSVMNSA-N 2 1 397.607 3.773 20 0 GHADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001626110691 1014752556 /nfs/dbraw/zinc/75/25/56/1014752556.db2.gz DTXZQUREJULJLY-YFNKSVMNSA-N 2 1 397.607 3.773 20 0 GHADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001626110691 1014752569 /nfs/dbraw/zinc/75/25/69/1014752569.db2.gz DTXZQUREJULJLY-YFNKSVMNSA-N 2 1 397.607 3.773 20 0 GHADMP COCCC[NH+]1CCC(Oc2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001226742083 1032105096 /nfs/dbraw/zinc/10/50/96/1032105096.db2.gz AWVCGHZRIDEJIV-UHFFFAOYSA-N 2 1 395.547 3.520 20 0 GHADMP COCCC[NH+]1CCC(Oc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001226742083 1032105108 /nfs/dbraw/zinc/10/51/08/1032105108.db2.gz AWVCGHZRIDEJIV-UHFFFAOYSA-N 2 1 395.547 3.520 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468028104 1015164632 /nfs/dbraw/zinc/16/46/32/1015164632.db2.gz VTPTYWAIEAFSCQ-NPDDRXJXSA-N 2 1 388.600 3.876 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000545309588 1015762651 /nfs/dbraw/zinc/76/26/51/1015762651.db2.gz STHZDRMMCMIGJP-OAQYLSRUSA-N 2 1 387.568 3.603 20 0 GHADMP CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545560077 1016033162 /nfs/dbraw/zinc/03/31/62/1016033162.db2.gz RNIKKEIRNBIAAU-HSZRJFAPSA-N 2 1 375.520 3.672 20 0 GHADMP C[C@H](CC[NH2+][C@@H](C)Cn1cc(Br)cn1)[N@@H+](C)Cc1ccccc1 ZINC000468993569 1016317570 /nfs/dbraw/zinc/31/75/70/1016317570.db2.gz MVRBGEOZOKMZNV-JKSUJKDBSA-N 2 1 379.346 3.534 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)cc2Br)CC1 ZINC001232713669 1038512743 /nfs/dbraw/zinc/51/27/43/1038512743.db2.gz SHHKOMBFFAWSFT-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccccc1 ZINC000470601661 1016829555 /nfs/dbraw/zinc/82/95/55/1016829555.db2.gz QIKWNAUWUNSVHQ-RTBURBONSA-N 2 1 393.453 3.727 20 0 GHADMP C[C@@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001227109626 1032273895 /nfs/dbraw/zinc/27/38/95/1032273895.db2.gz VSMNLPFMYIUBFY-HSALFYBXSA-N 2 1 386.584 3.554 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc2)CC1 ZINC001221296771 1032364716 /nfs/dbraw/zinc/36/47/16/1032364716.db2.gz AAUXXXUVTGVOJY-DNVJHFABSA-N 2 1 398.595 3.776 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc2)CC1 ZINC001221296772 1032365008 /nfs/dbraw/zinc/36/50/08/1032365008.db2.gz AAUXXXUVTGVOJY-RJGXRXQPSA-N 2 1 398.595 3.776 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC001221405909 1032400825 /nfs/dbraw/zinc/40/08/25/1032400825.db2.gz CSEIOXYIYWTCRT-OIBXWCBGSA-N 2 1 393.575 3.771 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC001221405907 1032401035 /nfs/dbraw/zinc/40/10/35/1032401035.db2.gz CSEIOXYIYWTCRT-AJSBUHFISA-N 2 1 393.575 3.771 20 0 GHADMP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)c12 ZINC001155118238 1032422772 /nfs/dbraw/zinc/42/27/72/1032422772.db2.gz KOJVLYODVGBTSC-JOCHJYFZSA-N 2 1 381.499 3.990 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001221537095 1032452897 /nfs/dbraw/zinc/45/28/97/1032452897.db2.gz INOAVTDGALTRKG-PMOQBDJRSA-N 2 1 394.563 3.560 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2C[NH2+]CCC2(OCC)OCC)nc1 ZINC001155233696 1032465274 /nfs/dbraw/zinc/46/52/74/1032465274.db2.gz XRJXYHSFZBTBSF-PMACEKPBSA-N 2 1 390.572 3.562 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)c1 ZINC001221604375 1032478240 /nfs/dbraw/zinc/47/82/40/1032478240.db2.gz WIEIEAUWRAXNQD-DEOSSOPVSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001221604375 1032478242 /nfs/dbraw/zinc/47/82/42/1032478242.db2.gz WIEIEAUWRAXNQD-DEOSSOPVSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001221604375 1032478245 /nfs/dbraw/zinc/47/82/45/1032478245.db2.gz WIEIEAUWRAXNQD-DEOSSOPVSA-N 2 1 394.563 3.602 20 0 GHADMP Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C)c1Cl ZINC001155364699 1032521022 /nfs/dbraw/zinc/52/10/22/1032521022.db2.gz VGRNCISOMYDDNM-LJQANCHMSA-N 2 1 399.970 3.661 20 0 GHADMP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000558709360 1017270570 /nfs/dbraw/zinc/27/05/70/1017270570.db2.gz AOALETYAJVCZRL-SIKLNZKXSA-N 2 1 386.584 3.585 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)C1 ZINC001204291592 1032733048 /nfs/dbraw/zinc/73/30/48/1032733048.db2.gz NEFZXZBKLLUYGT-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)C1 ZINC001204291592 1032733063 /nfs/dbraw/zinc/73/30/63/1032733063.db2.gz NEFZXZBKLLUYGT-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn2cc[nH+]c12 ZINC000562614503 1018400542 /nfs/dbraw/zinc/40/05/42/1018400542.db2.gz HSGGNGAQRSTPCU-YLJYHZDGSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn2cc[nH+]c12 ZINC000562614503 1018400547 /nfs/dbraw/zinc/40/05/47/1018400547.db2.gz HSGGNGAQRSTPCU-YLJYHZDGSA-N 2 1 377.492 3.675 20 0 GHADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000562775545 1018625830 /nfs/dbraw/zinc/62/58/30/1018625830.db2.gz LMQCTCNXFLCLRW-VKDGWMQASA-N 2 1 382.548 3.550 20 0 GHADMP CCCc1nc(C)c(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000566570300 1019237174 /nfs/dbraw/zinc/23/71/74/1019237174.db2.gz HHDNAZKNIMRDDS-UHFFFAOYSA-N 2 1 378.586 3.539 20 0 GHADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000567382320 1019287236 /nfs/dbraw/zinc/28/72/36/1019287236.db2.gz BZNHQZNAIYAZOX-KYJSFNMBSA-N 2 1 385.474 3.593 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccc(OC)c2)CCO3)o1 ZINC001204390363 1032817619 /nfs/dbraw/zinc/81/76/19/1032817619.db2.gz HVKXHGPIBYDDHT-UHFFFAOYSA-N 2 1 384.520 3.718 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccc(OC)c2)CCO3)o1 ZINC001204390363 1032817630 /nfs/dbraw/zinc/81/76/30/1032817630.db2.gz HVKXHGPIBYDDHT-UHFFFAOYSA-N 2 1 384.520 3.718 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001155997564 1032830168 /nfs/dbraw/zinc/83/01/68/1032830168.db2.gz GCDQAPFHKJYQQI-UPVQGACJSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001155997564 1032830178 /nfs/dbraw/zinc/83/01/78/1032830178.db2.gz GCDQAPFHKJYQQI-UPVQGACJSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001155997564 1032830199 /nfs/dbraw/zinc/83/01/99/1032830199.db2.gz GCDQAPFHKJYQQI-UPVQGACJSA-N 2 1 397.607 3.854 20 0 GHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(NCc3cccnc3C3CC[NH2+]CC3)c12 ZINC001156000244 1032833054 /nfs/dbraw/zinc/83/30/54/1032833054.db2.gz SAQBIJKUXYKNAE-UHFFFAOYSA-N 2 1 398.514 3.954 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCCO2 ZINC000572678257 1019792974 /nfs/dbraw/zinc/79/29/74/1019792974.db2.gz KSPQTEDWRROAEV-IBGZPJMESA-N 2 1 389.927 3.987 20 0 GHADMP C[C@H]([NH2+]CCc1csc(N2CCCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577211663 1020146749 /nfs/dbraw/zinc/14/67/49/1020146749.db2.gz JJPBDFMZJYAZDK-ICSRJNTNSA-N 2 1 384.593 3.786 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1 ZINC000579344927 1020407154 /nfs/dbraw/zinc/40/71/54/1020407154.db2.gz NCQUTECANOUMTG-NZQKXSOJSA-N 2 1 382.548 3.858 20 0 GHADMP COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000631619036 1020895723 /nfs/dbraw/zinc/89/57/23/1020895723.db2.gz XZHHEMHDSLBPDM-IRLDBZIGSA-N 2 1 396.531 3.655 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@@H+]3CCC[C@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001140269737 1021293051 /nfs/dbraw/zinc/29/30/51/1021293051.db2.gz XPCJBOUITUJHLC-HSZRJFAPSA-N 2 1 385.552 3.889 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001140269737 1021293056 /nfs/dbraw/zinc/29/30/56/1021293056.db2.gz XPCJBOUITUJHLC-HSZRJFAPSA-N 2 1 385.552 3.889 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CCC[C@]4(C3)COCC[N@@H+](C(C)C)C4)c2c1 ZINC001140269737 1021293065 /nfs/dbraw/zinc/29/30/65/1021293065.db2.gz XPCJBOUITUJHLC-HSZRJFAPSA-N 2 1 385.552 3.889 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CCC[C@]4(C3)COCC[N@H+](C(C)C)C4)c2c1 ZINC001140269737 1021293072 /nfs/dbraw/zinc/29/30/72/1021293072.db2.gz XPCJBOUITUJHLC-HSZRJFAPSA-N 2 1 385.552 3.889 20 0 GHADMP COc1ccc2c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369288 1021510778 /nfs/dbraw/zinc/51/07/78/1021510778.db2.gz TWGDJKAIGQPXGD-SJORKVTESA-N 2 1 399.535 3.817 20 0 GHADMP COc1ccc2c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369288 1021510787 /nfs/dbraw/zinc/51/07/87/1021510787.db2.gz TWGDJKAIGQPXGD-SJORKVTESA-N 2 1 399.535 3.817 20 0 GHADMP COc1ccc2c(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140369288 1021510796 /nfs/dbraw/zinc/51/07/96/1021510796.db2.gz TWGDJKAIGQPXGD-SJORKVTESA-N 2 1 399.535 3.817 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140451028 1021738507 /nfs/dbraw/zinc/73/85/07/1021738507.db2.gz GVLMNARJYXZEKA-NFBKMPQASA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140451028 1021738523 /nfs/dbraw/zinc/73/85/23/1021738523.db2.gz GVLMNARJYXZEKA-NFBKMPQASA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3-c3nccs3)C2)C1 ZINC001140451028 1021738537 /nfs/dbraw/zinc/73/85/37/1021738537.db2.gz GVLMNARJYXZEKA-NFBKMPQASA-N 2 1 397.588 3.990 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001140803862 1022576129 /nfs/dbraw/zinc/57/61/29/1022576129.db2.gz ZFCOQRIJQCRWPY-GOTSBHOMSA-N 2 1 392.503 3.546 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001140803862 1022576139 /nfs/dbraw/zinc/57/61/39/1022576139.db2.gz ZFCOQRIJQCRWPY-GOTSBHOMSA-N 2 1 392.503 3.546 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)OCCO5)CC[C@H]3C2)cc1 ZINC001141042494 1023366618 /nfs/dbraw/zinc/36/66/18/1023366618.db2.gz SWMJQKHTTLYZBO-VXKWHMMOSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)CC[C@H]3C2)cc1 ZINC001141042494 1023366628 /nfs/dbraw/zinc/36/66/28/1023366628.db2.gz SWMJQKHTTLYZBO-VXKWHMMOSA-N 2 1 378.516 3.802 20 0 GHADMP COc1ccc(-n2ccn(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2=S)cc1 ZINC000755777174 1023372533 /nfs/dbraw/zinc/37/25/33/1023372533.db2.gz ANBFQPZNJPDEAM-SFHVURJKSA-N 2 1 386.565 3.638 20 0 GHADMP CCCCc1nc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c[nH]1 ZINC001141068247 1023417604 /nfs/dbraw/zinc/41/76/04/1023417604.db2.gz BPBMNMIZYQJKGN-LJQANCHMSA-N 2 1 386.540 3.601 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3-c3cccs3)CC[C@@H]2C1 ZINC001141094382 1023474092 /nfs/dbraw/zinc/47/40/92/1023474092.db2.gz JMHSQKYNCBVSCH-TZIWHRDSSA-N 2 1 386.561 3.584 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3-c3cccs3)CC[C@@H]2C1 ZINC001141094382 1023474105 /nfs/dbraw/zinc/47/41/05/1023474105.db2.gz JMHSQKYNCBVSCH-TZIWHRDSSA-N 2 1 386.561 3.584 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3-c3cccs3)CC[C@@H]2C1 ZINC001141094382 1023474116 /nfs/dbraw/zinc/47/41/16/1023474116.db2.gz JMHSQKYNCBVSCH-TZIWHRDSSA-N 2 1 386.561 3.584 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(C(F)(F)F)c(F)c4)C[C@H]3C2)cn1 ZINC001204880147 1033142737 /nfs/dbraw/zinc/14/27/37/1033142737.db2.gz YSSYJOFTQQJYJB-IAGOWNOFSA-N 2 1 396.432 3.532 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001204938339 1033177879 /nfs/dbraw/zinc/17/78/79/1033177879.db2.gz QMZMOUZRZSEMNR-XPWALMASSA-N 2 1 378.516 3.864 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000117784146 1024133121 /nfs/dbraw/zinc/13/31/21/1024133121.db2.gz ZMPPDXBRXQQWIY-HSZRJFAPSA-N 2 1 394.563 3.546 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000117784146 1024133132 /nfs/dbraw/zinc/13/31/32/1024133132.db2.gz ZMPPDXBRXQQWIY-HSZRJFAPSA-N 2 1 394.563 3.546 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001138297022 1024578162 /nfs/dbraw/zinc/57/81/62/1024578162.db2.gz LWYXCKYVCFCFHP-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001138544327 1024988154 /nfs/dbraw/zinc/98/81/54/1024988154.db2.gz GLBSQJSRUCUQSQ-WOJBJXKFSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001138544327 1024988156 /nfs/dbraw/zinc/98/81/56/1024988156.db2.gz GLBSQJSRUCUQSQ-WOJBJXKFSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)cc1 ZINC001138548587 1024995635 /nfs/dbraw/zinc/99/56/35/1024995635.db2.gz DNRGZCFSEBNRNM-PZJWPPBQSA-N 2 1 393.560 3.734 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)cc1 ZINC001138548587 1024995640 /nfs/dbraw/zinc/99/56/40/1024995640.db2.gz DNRGZCFSEBNRNM-PZJWPPBQSA-N 2 1 393.560 3.734 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1ccccc1N1CCCCC1)CC2 ZINC001138606155 1025094247 /nfs/dbraw/zinc/09/42/47/1025094247.db2.gz IQVAGUCJFOPBJR-UHFFFAOYSA-N 2 1 393.579 3.528 20 0 GHADMP Clc1[nH]c2ccccc2c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001138683301 1025207752 /nfs/dbraw/zinc/20/77/52/1025207752.db2.gz DCEKERMCLQSFEU-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)cc1 ZINC001138772931 1025343902 /nfs/dbraw/zinc/34/39/02/1025343902.db2.gz KOYWDPXHZMFBAI-IBGZPJMESA-N 2 1 391.556 3.506 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001138773568 1025344801 /nfs/dbraw/zinc/34/48/01/1025344801.db2.gz HXIQZZJIMDTVEB-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000838914409 1025439057 /nfs/dbraw/zinc/43/90/57/1025439057.db2.gz GBOIPSOWJLXTDG-OAQYLSRUSA-N 2 1 394.519 3.971 20 0 GHADMP CCC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138967323 1025676445 /nfs/dbraw/zinc/67/64/45/1025676445.db2.gz ICNYITDKUHPCNQ-FGZHOGPDSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138967323 1025676455 /nfs/dbraw/zinc/67/64/55/1025676455.db2.gz ICNYITDKUHPCNQ-FGZHOGPDSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138967323 1025676465 /nfs/dbraw/zinc/67/64/65/1025676465.db2.gz ICNYITDKUHPCNQ-FGZHOGPDSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138967323 1025676475 /nfs/dbraw/zinc/67/64/75/1025676475.db2.gz ICNYITDKUHPCNQ-FGZHOGPDSA-N 2 1 378.516 3.956 20 0 GHADMP CCOc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004484 1025750893 /nfs/dbraw/zinc/75/08/93/1025750893.db2.gz XFEHCQREGSVKNJ-JOCHJYFZSA-N 2 1 396.531 3.965 20 0 GHADMP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004484 1025750901 /nfs/dbraw/zinc/75/09/01/1025750901.db2.gz XFEHCQREGSVKNJ-JOCHJYFZSA-N 2 1 396.531 3.965 20 0 GHADMP CCOc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004484 1025750912 /nfs/dbraw/zinc/75/09/12/1025750912.db2.gz XFEHCQREGSVKNJ-JOCHJYFZSA-N 2 1 396.531 3.965 20 0 GHADMP CCOc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004484 1025750920 /nfs/dbraw/zinc/75/09/20/1025750920.db2.gz XFEHCQREGSVKNJ-JOCHJYFZSA-N 2 1 396.531 3.965 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H](F)C1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001162852510 1025939598 /nfs/dbraw/zinc/93/95/98/1025939598.db2.gz BWEKBGQPBXKBPL-QGZVFWFLSA-N 2 1 379.545 3.637 20 0 GHADMP c1nc2cc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc2o1 ZINC001162934100 1025972170 /nfs/dbraw/zinc/97/21/70/1025972170.db2.gz KPWZPALDRMPHMX-IBGZPJMESA-N 2 1 376.504 3.742 20 0 GHADMP CC(C)Oc1cccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941163 1025977654 /nfs/dbraw/zinc/97/76/54/1025977654.db2.gz GJZGVWNWMWHNIA-NRFANRHFSA-N 2 1 394.563 3.783 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc(C4CC4)nc3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940673 1025977756 /nfs/dbraw/zinc/97/77/56/1025977756.db2.gz KCCDUFKJHXIBOK-OAQYLSRUSA-N 2 1 376.548 3.873 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc4c3COC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940707 1025978052 /nfs/dbraw/zinc/97/80/52/1025978052.db2.gz KSPQVDGBEPYHOE-OAQYLSRUSA-N 2 1 377.532 3.631 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5nsnc5c4)CC3)C2)cc1 ZINC001139209769 1026059456 /nfs/dbraw/zinc/05/94/56/1026059456.db2.gz KAQSZWVGRHPPIQ-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(C[NH+]4CCCC[C@@H]4C)cc3)C[N@H+]2C1 ZINC001141649889 1026064165 /nfs/dbraw/zinc/06/41/65/1026064165.db2.gz AAPLUGGJRCDQFI-FUKQBSRTSA-N 2 1 383.580 3.798 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)C[NH+]2C1 ZINC001141649889 1026064184 /nfs/dbraw/zinc/06/41/84/1026064184.db2.gz AAPLUGGJRCDQFI-FUKQBSRTSA-N 2 1 383.580 3.798 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)C[NH+]2C1 ZINC001141649889 1026064195 /nfs/dbraw/zinc/06/41/95/1026064195.db2.gz AAPLUGGJRCDQFI-FUKQBSRTSA-N 2 1 383.580 3.798 20 0 GHADMP c1[nH+]c2cc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001163212759 1026089859 /nfs/dbraw/zinc/08/98/59/1026089859.db2.gz ZGNSDMVUAXFILL-VIZSFHNOSA-N 3 1 375.520 3.866 20 0 GHADMP CC[NH+](CC)Cc1c(Br)cccc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163333687 1026149835 /nfs/dbraw/zinc/14/98/35/1026149835.db2.gz SYDLLSJWDYVAEJ-DNVCBOLYSA-N 2 1 396.373 3.614 20 0 GHADMP COc1ccc([C@@H](O)C[N@@H+](CCn2ccnc2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839645425 1026155496 /nfs/dbraw/zinc/15/54/96/1026155496.db2.gz BQORMRJTHKJWHV-CYFREDJKSA-N 2 1 393.531 3.867 20 0 GHADMP COc1ccc([C@@H](O)C[N@H+](CCn2cc[nH+]c2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839645425 1026155508 /nfs/dbraw/zinc/15/55/08/1026155508.db2.gz BQORMRJTHKJWHV-CYFREDJKSA-N 2 1 393.531 3.867 20 0 GHADMP COc1ccc([C@@H](O)C[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839645425 1026155516 /nfs/dbraw/zinc/15/55/16/1026155516.db2.gz BQORMRJTHKJWHV-CYFREDJKSA-N 2 1 393.531 3.867 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](Nc2ncnc3c2CC[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC001163363388 1026159804 /nfs/dbraw/zinc/15/98/04/1026159804.db2.gz QOJZHLZXEYZNBT-NQIIRXRSSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@H](Nc2ncnc3c2CC[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC001163363388 1026159811 /nfs/dbraw/zinc/15/98/11/1026159811.db2.gz QOJZHLZXEYZNBT-NQIIRXRSSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[NH+]1CC[C@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC001163363388 1026159817 /nfs/dbraw/zinc/15/98/17/1026159817.db2.gz QOJZHLZXEYZNBT-NQIIRXRSSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[NH+]1CC[C@H](Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC001163363388 1026159827 /nfs/dbraw/zinc/15/98/27/1026159827.db2.gz QOJZHLZXEYZNBT-NQIIRXRSSA-N 2 1 379.552 3.566 20 0 GHADMP CC[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001461064212 1069370934 /nfs/dbraw/zinc/37/09/34/1069370934.db2.gz AVGLWLMLHSTDRZ-WOJBJXKFSA-N 2 1 387.568 3.653 20 0 GHADMP Brc1cscc1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001139348385 1026217493 /nfs/dbraw/zinc/21/74/93/1026217493.db2.gz XACFKHYIPMONOA-CVEARBPZSA-N 2 1 392.366 3.860 20 0 GHADMP Brc1cscc1C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001139348385 1026217501 /nfs/dbraw/zinc/21/75/01/1026217501.db2.gz XACFKHYIPMONOA-CVEARBPZSA-N 2 1 392.366 3.860 20 0 GHADMP Brc1cscc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001139348385 1026217509 /nfs/dbraw/zinc/21/75/09/1026217509.db2.gz XACFKHYIPMONOA-CVEARBPZSA-N 2 1 392.366 3.860 20 0 GHADMP COc1ccc(CCNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)cc1O ZINC001163727163 1026296218 /nfs/dbraw/zinc/29/62/18/1026296218.db2.gz DBBNRCWQODDURU-SFHVURJKSA-N 2 1 380.492 3.720 20 0 GHADMP O=C(NC1CC1)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001461121823 1069401800 /nfs/dbraw/zinc/40/18/00/1069401800.db2.gz QTJWUSSTLCNSBA-NRFANRHFSA-N 2 1 377.532 3.581 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[NH2+][C@@H](C)C4)c23)C1 ZINC001165186627 1026653581 /nfs/dbraw/zinc/65/35/81/1026653581.db2.gz FVIVTABCDWQBDS-HOTGVXAUSA-N 2 1 399.608 3.600 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001165323005 1026704009 /nfs/dbraw/zinc/70/40/09/1026704009.db2.gz HQTQAWBAYFLZPW-OAQYLSRUSA-N 2 1 393.510 3.977 20 0 GHADMP CCOC[C@@H]1CN(Cc2ccccc2-n2ccnc2C)Cc2c1cnn2CC ZINC001140024794 1026811374 /nfs/dbraw/zinc/81/13/74/1026811374.db2.gz JHYKIAZOVJZNNU-IBGZPJMESA-N 2 1 379.508 3.533 20 0 GHADMP CCOC[C@@H]1CN(Cc2ccccc2-n2ccnc2C)Cc2cnn(CC)c21 ZINC001140025164 1026811939 /nfs/dbraw/zinc/81/19/39/1026811939.db2.gz MVEFTFZDHSLAAU-FQEVSTJZSA-N 2 1 379.508 3.533 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001140027725 1026817222 /nfs/dbraw/zinc/81/72/22/1026817222.db2.gz WWCVDGHFLPSUQA-QHCPKHFHSA-N 2 1 390.531 3.514 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001140027725 1026817235 /nfs/dbraw/zinc/81/72/35/1026817235.db2.gz WWCVDGHFLPSUQA-QHCPKHFHSA-N 2 1 390.531 3.514 20 0 GHADMP CNc1nccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)n1 ZINC001140041523 1026826034 /nfs/dbraw/zinc/82/60/34/1026826034.db2.gz BKOMZLQEZMCKQS-UHFFFAOYSA-N 2 1 379.552 3.705 20 0 GHADMP CN(CC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1)C(=O)OC(C)(C)C ZINC001202998127 1026849646 /nfs/dbraw/zinc/84/96/46/1026849646.db2.gz ULHVHOHUMJTEOZ-UHFFFAOYSA-N 2 1 393.597 3.903 20 0 GHADMP FC(F)(F)c1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001140106181 1026887553 /nfs/dbraw/zinc/88/75/53/1026887553.db2.gz AEWJZJJGMWUHGU-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP FC(F)(F)c1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001140106181 1026887561 /nfs/dbraw/zinc/88/75/61/1026887561.db2.gz AEWJZJJGMWUHGU-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3cccc(Br)n3)cc1)C2 ZINC001140176408 1026950073 /nfs/dbraw/zinc/95/00/73/1026950073.db2.gz ZUGMWPFLUPJUNA-YLJYHZDGSA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3cccc(Br)n3)cc1)C2 ZINC001140176408 1026950079 /nfs/dbraw/zinc/95/00/79/1026950079.db2.gz ZUGMWPFLUPJUNA-YLJYHZDGSA-N 2 1 386.337 3.895 20 0 GHADMP Clc1ccccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001203381903 1026958185 /nfs/dbraw/zinc/95/81/85/1026958185.db2.gz LIVDVZFRUHAWKB-UHFFFAOYSA-N 2 1 385.939 3.850 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001141775453 1027214792 /nfs/dbraw/zinc/21/47/92/1027214792.db2.gz PGLNPZPMUKTXDY-JPYJTQIMSA-N 2 1 386.499 3.640 20 0 GHADMP CC(=O)OCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001141795261 1027301300 /nfs/dbraw/zinc/30/13/00/1027301300.db2.gz AUZPLLMSHJDSCB-NHCUHLMSSA-N 2 1 382.504 3.687 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001141795261 1027301319 /nfs/dbraw/zinc/30/13/19/1027301319.db2.gz AUZPLLMSHJDSCB-NHCUHLMSSA-N 2 1 382.504 3.687 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001203525513 1027404811 /nfs/dbraw/zinc/40/48/11/1027404811.db2.gz IMYLOHAGTJBDKX-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)[C@@H]1c1cccs1 ZINC001461234781 1069455411 /nfs/dbraw/zinc/45/54/11/1069455411.db2.gz WXCOVJPCXGWQCH-OXQOHEQNSA-N 2 1 385.512 3.641 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)[C@@H]1c1cccs1 ZINC001461234781 1069455413 /nfs/dbraw/zinc/45/54/13/1069455413.db2.gz WXCOVJPCXGWQCH-OXQOHEQNSA-N 2 1 385.512 3.641 20 0 GHADMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001203746604 1027569397 /nfs/dbraw/zinc/56/93/97/1027569397.db2.gz NXZFJIQJJJZGKN-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001203746604 1027569408 /nfs/dbraw/zinc/56/94/08/1027569408.db2.gz NXZFJIQJJJZGKN-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001203746604 1027569412 /nfs/dbraw/zinc/56/94/12/1027569412.db2.gz NXZFJIQJJJZGKN-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001203965122 1027762934 /nfs/dbraw/zinc/76/29/34/1027762934.db2.gz UPJPKJSTVUIPGJ-GIWBLDEGSA-N 2 1 382.552 3.655 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001203965122 1027762945 /nfs/dbraw/zinc/76/29/45/1027762945.db2.gz UPJPKJSTVUIPGJ-GIWBLDEGSA-N 2 1 382.552 3.655 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001203965122 1027762954 /nfs/dbraw/zinc/76/29/54/1027762954.db2.gz UPJPKJSTVUIPGJ-GIWBLDEGSA-N 2 1 382.552 3.655 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001203965122 1027762973 /nfs/dbraw/zinc/76/29/73/1027762973.db2.gz UPJPKJSTVUIPGJ-GIWBLDEGSA-N 2 1 382.552 3.655 20 0 GHADMP C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC001461277935 1069477918 /nfs/dbraw/zinc/47/79/18/1069477918.db2.gz WWYFGZSHHUXGMZ-XUVXKRRUSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]1[C@@H](C)[NH+](C)C[C@H](C)N1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001461277935 1069477921 /nfs/dbraw/zinc/47/79/21/1069477921.db2.gz WWYFGZSHHUXGMZ-XUVXKRRUSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]1[C@@H](C)[NH+](C)C[C@H](C)N1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001461277935 1069477925 /nfs/dbraw/zinc/47/79/25/1069477925.db2.gz WWYFGZSHHUXGMZ-XUVXKRRUSA-N 2 1 379.548 3.872 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1ccc3ccccc3c1)CCC2 ZINC001203999760 1027797524 /nfs/dbraw/zinc/79/75/24/1027797524.db2.gz GXIVSHPJLBHEJU-UHFFFAOYSA-N 2 1 378.520 3.520 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC001204045469 1027833120 /nfs/dbraw/zinc/83/31/20/1027833120.db2.gz QTMMJJFMYDNDQW-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP Cn1ccc(C[N@H+]2CCCC23CCN(Cc2ccnc4ccccc24)CC3)n1 ZINC001204088015 1027865781 /nfs/dbraw/zinc/86/57/81/1027865781.db2.gz VKCGYKLEXPTYRY-UHFFFAOYSA-N 2 1 375.520 3.599 20 0 GHADMP Cn1ccc(CN2CCCC23CC[NH+](Cc2ccnc4ccccc24)CC3)n1 ZINC001204088015 1027865804 /nfs/dbraw/zinc/86/58/04/1027865804.db2.gz VKCGYKLEXPTYRY-UHFFFAOYSA-N 2 1 375.520 3.599 20 0 GHADMP CC[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC001211270045 1027876241 /nfs/dbraw/zinc/87/62/41/1027876241.db2.gz SYLJPNUHCKFVLO-FGZHOGPDSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@H](CNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001211270045 1027876261 /nfs/dbraw/zinc/87/62/61/1027876261.db2.gz SYLJPNUHCKFVLO-FGZHOGPDSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@H](CNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001211270045 1027876281 /nfs/dbraw/zinc/87/62/81/1027876281.db2.gz SYLJPNUHCKFVLO-FGZHOGPDSA-N 2 1 398.595 3.530 20 0 GHADMP [NH3+]C12CCC(c3nc(-c4ccc([C@H]5CCc6c[nH+]cn65)c(F)c4)no3)(CC1)C2 ZINC001211482872 1027982165 /nfs/dbraw/zinc/98/21/65/1027982165.db2.gz BEUJXKOFQLFJHU-MDMXATFFSA-N 2 1 379.439 3.521 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(Cl)n1 ZINC001142128671 1028208084 /nfs/dbraw/zinc/20/80/84/1028208084.db2.gz PVVGZGOPQXUBDH-SFHVURJKSA-N 2 1 389.927 3.892 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OCc2ccccc2)c2ccccc2)CC1(C)C ZINC001461436279 1069548710 /nfs/dbraw/zinc/54/87/10/1069548710.db2.gz JCVGMLITCPAWBI-FCHUYYIVSA-N 2 1 380.532 3.976 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684156 1029489499 /nfs/dbraw/zinc/48/94/99/1029489499.db2.gz XZCRFXIIQYLUMG-NZQKXSOJSA-N 2 1 396.531 3.524 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684156 1029489505 /nfs/dbraw/zinc/48/95/05/1029489505.db2.gz XZCRFXIIQYLUMG-NZQKXSOJSA-N 2 1 396.531 3.524 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c(Cl)nc21 ZINC000843127717 1029817726 /nfs/dbraw/zinc/81/77/26/1029817726.db2.gz SRICXXKDIRQISX-HOTGVXAUSA-N 2 1 375.948 3.877 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090443 1029839005 /nfs/dbraw/zinc/83/90/05/1029839005.db2.gz VSESVRWLTDZAPG-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1scc3c1OCCO3)CC2 ZINC001143186189 1029890764 /nfs/dbraw/zinc/89/07/64/1029890764.db2.gz TZJZGZUPUFNCKO-UHFFFAOYSA-N 2 1 399.560 3.791 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000843363652 1029940629 /nfs/dbraw/zinc/94/06/29/1029940629.db2.gz HMCPIDJACHAIOG-GOSISDBHSA-N 2 1 396.362 3.732 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1Cl ZINC001222094606 1029961709 /nfs/dbraw/zinc/96/17/09/1029961709.db2.gz HIRYDOFIGIFXGX-UHFFFAOYSA-N 2 1 382.257 3.540 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC(=O)c1cccs1 ZINC001222142076 1029976359 /nfs/dbraw/zinc/97/63/59/1029976359.db2.gz VYILEXXTYPCRPQ-OAQYLSRUSA-N 2 1 386.517 3.551 20 0 GHADMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC(=O)c1cccs1 ZINC001222142076 1029976371 /nfs/dbraw/zinc/97/63/71/1029976371.db2.gz VYILEXXTYPCRPQ-OAQYLSRUSA-N 2 1 386.517 3.551 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1cc(Br)ccc1Br)CC2 ZINC001222212043 1030008304 /nfs/dbraw/zinc/00/83/04/1030008304.db2.gz UCPUAMLALAVOBI-UHFFFAOYSA-N 2 1 388.147 3.915 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cccc(-c3ccc(F)cc3)c1)CC[NH2+]CC2 ZINC001222222101 1030016418 /nfs/dbraw/zinc/01/64/18/1030016418.db2.gz XGYOXPSOGGQDJE-JOCHJYFZSA-N 2 1 396.506 4.000 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cccc(-c3ccsc3)c1)CC[NH2+]CC2 ZINC001222225994 1030018836 /nfs/dbraw/zinc/01/88/36/1030018836.db2.gz LIKIZENZQSZKGQ-FQEVSTJZSA-N 2 1 384.545 3.922 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cncc(-c3ccc(C)cc3)c1)CC[NH2+]CC2 ZINC001222226325 1030020064 /nfs/dbraw/zinc/02/00/64/1030020064.db2.gz QTWJWPZAIKFPLB-QFIPXVFZSA-N 2 1 393.531 3.564 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cncc(-c3ccc(C)cc3)c1)CC[NH2+]CC2 ZINC001222226325 1030020078 /nfs/dbraw/zinc/02/00/78/1030020078.db2.gz QTWJWPZAIKFPLB-QFIPXVFZSA-N 2 1 393.531 3.564 20 0 GHADMP CCOc1ccc(Br)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c1F ZINC001222461733 1030148318 /nfs/dbraw/zinc/14/83/18/1030148318.db2.gz ZZWKGWHXWIGAAO-UHFFFAOYSA-N 2 1 385.321 3.953 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC001149508674 1030200040 /nfs/dbraw/zinc/20/00/40/1030200040.db2.gz ZOLCABWBTWMPGY-QHCPKHFHSA-N 2 1 391.559 3.685 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2CCCc2cccnc2)cc1 ZINC001222575253 1030205922 /nfs/dbraw/zinc/20/59/22/1030205922.db2.gz LWODKKSUOVSNKL-QHCPKHFHSA-N 2 1 379.548 3.818 20 0 GHADMP c1nc2c(cccc2C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]1 ZINC001222582834 1030212271 /nfs/dbraw/zinc/21/22/71/1030212271.db2.gz HZWUQONHPVDTMO-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP c1nc2cccc(C[N@@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)c2[nH]1 ZINC001222582834 1030212284 /nfs/dbraw/zinc/21/22/84/1030212284.db2.gz HZWUQONHPVDTMO-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP c1nc2cccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)c2[nH]1 ZINC001222582834 1030212300 /nfs/dbraw/zinc/21/23/00/1030212300.db2.gz HZWUQONHPVDTMO-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP c1[nH]nc2ccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc12 ZINC001222583006 1030212512 /nfs/dbraw/zinc/21/25/12/1030212512.db2.gz JWMLEHQHVUWTAD-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614537 1030237782 /nfs/dbraw/zinc/23/77/82/1030237782.db2.gz GDEGCXPOAWOVEO-KRWDZBQOSA-N 2 1 386.421 3.771 20 0 GHADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614537 1030237791 /nfs/dbraw/zinc/23/77/91/1030237791.db2.gz GDEGCXPOAWOVEO-KRWDZBQOSA-N 2 1 386.421 3.771 20 0 GHADMP CCOC(=O)c1ccc2c(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c[nH]c2c1 ZINC001222614171 1030238166 /nfs/dbraw/zinc/23/81/66/1030238166.db2.gz BFXOABMDUYNDKY-OAQYLSRUSA-N 2 1 389.499 3.534 20 0 GHADMP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(N2CCCCC2)c1 ZINC001222624325 1030247513 /nfs/dbraw/zinc/24/75/13/1030247513.db2.gz XKWNXLZFEDXBLR-CALCHBBNSA-N 2 1 392.385 3.871 20 0 GHADMP CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC001222652572 1030262277 /nfs/dbraw/zinc/26/22/77/1030262277.db2.gz XZAXTZLYOJVRTC-PMACEKPBSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC001222666206 1030269636 /nfs/dbraw/zinc/26/96/36/1030269636.db2.gz MINWEPOFNIYXGD-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001222668695 1030271624 /nfs/dbraw/zinc/27/16/24/1030271624.db2.gz ZPROQWHLNPRRDC-WMZHIEFXSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001222668695 1030271637 /nfs/dbraw/zinc/27/16/37/1030271637.db2.gz ZPROQWHLNPRRDC-WMZHIEFXSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001222668695 1030271651 /nfs/dbraw/zinc/27/16/51/1030271651.db2.gz ZPROQWHLNPRRDC-WMZHIEFXSA-N 2 1 398.595 3.735 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCCC1 ZINC001223075541 1030425683 /nfs/dbraw/zinc/42/56/83/1030425683.db2.gz LVAXFUJBVBDWFJ-FCHUYYIVSA-N 2 1 392.632 3.983 20 0 GHADMP [NH3+][C@H](Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1ccccc1Cl ZINC001217713021 1030622582 /nfs/dbraw/zinc/62/25/82/1030622582.db2.gz WSXUWXUPSBLMRF-MOPGFXCFSA-N 2 1 396.922 3.825 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1Cl ZINC001223558142 1030636490 /nfs/dbraw/zinc/63/64/90/1030636490.db2.gz WEVZSYFTMBDCOB-LJQANCHMSA-N 2 1 380.964 3.508 20 0 GHADMP CC(C)[NH+]1CCC(Oc2ccc(C[C@H]([NH3+])C(=O)OCc3ccccc3)cc2)CC1 ZINC001218288835 1030873637 /nfs/dbraw/zinc/87/36/37/1030873637.db2.gz ATPIXNJDAXSKRJ-QHCPKHFHSA-N 2 1 396.531 3.551 20 0 GHADMP CCN(C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000131264229 1030888778 /nfs/dbraw/zinc/88/87/78/1030888778.db2.gz RDNKGVOEPKGUAQ-IBGZPJMESA-N 2 1 390.531 3.881 20 0 GHADMP CCN(C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000131264229 1030888802 /nfs/dbraw/zinc/88/88/02/1030888802.db2.gz RDNKGVOEPKGUAQ-IBGZPJMESA-N 2 1 390.531 3.881 20 0 GHADMP C[C@@H](COc1ccccc1)OCCCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218371179 1030912141 /nfs/dbraw/zinc/91/21/41/1030912141.db2.gz HHCJPMZKMJDZOM-FQEVSTJZSA-N 2 1 398.547 3.863 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)CC1 ZINC001151812514 1031009438 /nfs/dbraw/zinc/00/94/38/1031009438.db2.gz SUWIACGJOZANNJ-UHFFFAOYSA-N 2 1 377.532 3.759 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC001151812514 1031009450 /nfs/dbraw/zinc/00/94/50/1031009450.db2.gz SUWIACGJOZANNJ-UHFFFAOYSA-N 2 1 377.532 3.759 20 0 GHADMP c1ccc(C[NH+]2CCC(OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)cc1 ZINC001224955489 1031190867 /nfs/dbraw/zinc/19/08/67/1031190867.db2.gz HLMOXXSQBACTJL-XMMPIXPASA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)cc1 ZINC001224955489 1031190875 /nfs/dbraw/zinc/19/08/75/1031190875.db2.gz HLMOXXSQBACTJL-XMMPIXPASA-N 2 1 380.532 3.569 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccco1 ZINC001225321383 1031348171 /nfs/dbraw/zinc/34/81/71/1031348171.db2.gz NANTXCVSMROWMM-TZIWHRDSSA-N 2 1 398.551 3.751 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)c1ccccc1 ZINC001219537541 1031481442 /nfs/dbraw/zinc/48/14/42/1031481442.db2.gz NIXNKLZZMOFPNF-ZEYPLWLESA-N 2 1 393.531 3.936 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001219940919 1031708294 /nfs/dbraw/zinc/70/82/94/1031708294.db2.gz IGQJYUMBNPOWGP-QPTUXGOLSA-N 2 1 391.559 3.898 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001220161766 1031809361 /nfs/dbraw/zinc/80/93/61/1031809361.db2.gz FUGXURQOWXXYCM-LSQMVHIFSA-N 2 1 391.559 3.898 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001220161766 1031809376 /nfs/dbraw/zinc/80/93/76/1031809376.db2.gz FUGXURQOWXXYCM-LSQMVHIFSA-N 2 1 391.559 3.898 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001220524799 1031976981 /nfs/dbraw/zinc/97/69/81/1031976981.db2.gz QNJCBHHHEOFJML-UFYCRDLUSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCC(C)CC1 ZINC001220614426 1032013903 /nfs/dbraw/zinc/01/39/03/1032013903.db2.gz IXNWWICLRAEYEB-VXKWHMMOSA-N 2 1 392.632 3.839 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)cc1F ZINC001205222256 1033312343 /nfs/dbraw/zinc/31/23/43/1033312343.db2.gz DYFPJISRAHWOAL-YMPZKCBVSA-N 2 1 390.543 3.614 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1C[NH3+] ZINC001205303299 1033350129 /nfs/dbraw/zinc/35/01/29/1033350129.db2.gz CIIDSSAYLZBEHL-TZMCWYRMSA-N 2 1 380.355 3.989 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205637653 1033505474 /nfs/dbraw/zinc/50/54/74/1033505474.db2.gz ICLKROZCBPWXFS-UONOGXRCSA-N 2 1 377.916 3.805 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001229568679 1033563327 /nfs/dbraw/zinc/56/33/27/1033563327.db2.gz GWPSDSVUIVARLA-FQEVSTJZSA-N 2 1 396.579 3.787 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc2)cc1 ZINC001205764142 1033563474 /nfs/dbraw/zinc/56/34/74/1033563474.db2.gz UIDMPOIMRXTELX-KRWDZBQOSA-N 2 1 375.463 3.879 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc2)cc1 ZINC001205764142 1033563479 /nfs/dbraw/zinc/56/34/79/1033563479.db2.gz UIDMPOIMRXTELX-KRWDZBQOSA-N 2 1 375.463 3.879 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC([NH+](C)Cc3ccccc3)C2)cc1 ZINC001157528971 1033641936 /nfs/dbraw/zinc/64/19/36/1033641936.db2.gz ZTKLIXSSPLQPJD-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1 ZINC001157528971 1033641946 /nfs/dbraw/zinc/64/19/46/1033641946.db2.gz ZTKLIXSSPLQPJD-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC001157528971 1033641953 /nfs/dbraw/zinc/64/19/53/1033641953.db2.gz ZTKLIXSSPLQPJD-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1 ZINC001206599547 1033921184 /nfs/dbraw/zinc/92/11/84/1033921184.db2.gz URHGTBRMZBPZPB-QGZVFWFLSA-N 2 1 383.330 3.588 20 0 GHADMP Cc1c(I)cccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206606069 1033921859 /nfs/dbraw/zinc/92/18/59/1033921859.db2.gz CDCJNEYADMYGII-INIZCTEOSA-N 2 1 386.321 3.952 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001158160939 1033944828 /nfs/dbraw/zinc/94/48/28/1033944828.db2.gz MHIAGYDESHIBIZ-LADGPHEKSA-N 2 1 377.532 3.604 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC001158160939 1033944835 /nfs/dbraw/zinc/94/48/35/1033944835.db2.gz MHIAGYDESHIBIZ-LADGPHEKSA-N 2 1 377.532 3.604 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162051 1033946197 /nfs/dbraw/zinc/94/61/97/1033946197.db2.gz TZIGAGCZLRDOHR-LMNJBCLMSA-N 2 1 391.506 3.592 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162051 1033946199 /nfs/dbraw/zinc/94/61/99/1033946199.db2.gz TZIGAGCZLRDOHR-LMNJBCLMSA-N 2 1 391.506 3.592 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(Cl)cncc2Br)CC1 ZINC001206761347 1033973690 /nfs/dbraw/zinc/97/36/90/1033973690.db2.gz XISSJOJSZBCWFN-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP CC1(C)C[C@@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@@](C)(C[NH3+])C1 ZINC001158264097 1033992918 /nfs/dbraw/zinc/99/29/18/1033992918.db2.gz AVLSSVDYHUIPKS-NTKDMRAZSA-N 2 1 393.579 3.991 20 0 GHADMP CC1(C)C[C@@H](Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@@](C)(C[NH3+])C1 ZINC001158264097 1033992926 /nfs/dbraw/zinc/99/29/26/1033992926.db2.gz AVLSSVDYHUIPKS-NTKDMRAZSA-N 2 1 393.579 3.991 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(OCc2ccccc2)c1OC ZINC001206811521 1033994872 /nfs/dbraw/zinc/99/48/72/1033994872.db2.gz VZFQTAJGSBTQIJ-MJGOQNOKSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(OCc2ccccc2)c1OC ZINC001206811521 1033994880 /nfs/dbraw/zinc/99/48/80/1033994880.db2.gz VZFQTAJGSBTQIJ-MJGOQNOKSA-N 2 1 384.520 3.842 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001230458728 1034071939 /nfs/dbraw/zinc/07/19/39/1034071939.db2.gz SAZRMPXKJAKPAU-NHCUHLMSSA-N 2 1 392.563 3.580 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001230458728 1034071947 /nfs/dbraw/zinc/07/19/47/1034071947.db2.gz SAZRMPXKJAKPAU-NHCUHLMSSA-N 2 1 392.563 3.580 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001207102283 1034093956 /nfs/dbraw/zinc/09/39/56/1034093956.db2.gz NPNOVWGKKVWCGS-MAKTXDPSSA-N 2 1 387.568 3.647 20 0 GHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207279641 1034233143 /nfs/dbraw/zinc/23/31/43/1034233143.db2.gz NLUZBLOBFXYEGO-DEOSSOPVSA-N 2 1 394.563 3.514 20 0 GHADMP Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207279641 1034233160 /nfs/dbraw/zinc/23/31/60/1034233160.db2.gz NLUZBLOBFXYEGO-DEOSSOPVSA-N 2 1 394.563 3.514 20 0 GHADMP C[N@H+](CCc1c(Cl)ncnc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207331705 1034278285 /nfs/dbraw/zinc/27/82/85/1034278285.db2.gz QVMDIJQVJRKSPZ-MRXNPFEDSA-N 2 1 379.335 3.780 20 0 GHADMP C[N@@H+](CCc1c(Cl)ncnc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207331705 1034278300 /nfs/dbraw/zinc/27/83/00/1034278300.db2.gz QVMDIJQVJRKSPZ-MRXNPFEDSA-N 2 1 379.335 3.780 20 0 GHADMP C[NH+](CCc1c(Cl)ncnc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207331705 1034278315 /nfs/dbraw/zinc/27/83/15/1034278315.db2.gz QVMDIJQVJRKSPZ-MRXNPFEDSA-N 2 1 379.335 3.780 20 0 GHADMP C[NH+](CCc1c(Cl)ncnc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207331705 1034278329 /nfs/dbraw/zinc/27/83/29/1034278329.db2.gz QVMDIJQVJRKSPZ-MRXNPFEDSA-N 2 1 379.335 3.780 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4CCOC(C)(C)C4)CC3)C2)cc1 ZINC001207359634 1034306992 /nfs/dbraw/zinc/30/69/92/1034306992.db2.gz YMCXBEPYPFJNJD-QFIPXVFZSA-N 2 1 386.580 3.867 20 0 GHADMP O=C([C@@H]1CCC[C@H](c2ccccc2)[NH2+]1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977026 1034366690 /nfs/dbraw/zinc/36/66/90/1034366690.db2.gz PZHPADBBFFTZKF-YADHBBJMSA-N 2 1 381.564 3.737 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+](CC2CC[NH2+]CC2)C3)cc1 ZINC001207441837 1034370763 /nfs/dbraw/zinc/37/07/63/1034370763.db2.gz MTKQZQYSWYWVFV-UHFFFAOYSA-N 2 1 375.560 3.783 20 0 GHADMP Fc1ccccc1CCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001207493210 1034398386 /nfs/dbraw/zinc/39/83/86/1034398386.db2.gz IPFSCVFERVUAQL-UHFFFAOYSA-N 2 1 397.538 3.768 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001231105741 1034400747 /nfs/dbraw/zinc/40/07/47/1034400747.db2.gz IEIBPBRWORBPPJ-JOCHJYFZSA-N 2 1 392.632 3.937 20 0 GHADMP Fc1cccc(CCC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001207602063 1034479755 /nfs/dbraw/zinc/47/97/55/1034479755.db2.gz MHODMUWUWFYBHW-UHFFFAOYSA-N 2 1 397.538 3.768 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(I)s3)C[C@@H]2C1 ZINC001207783208 1034574839 /nfs/dbraw/zinc/57/48/39/1034574839.db2.gz BXFBXKBOVYSMNK-RWMBFGLXSA-N 2 1 390.334 3.515 20 0 GHADMP CC[N@H+](C)C1CC[NH+](C[C@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207825905 1034602803 /nfs/dbraw/zinc/60/28/03/1034602803.db2.gz DBNKIUNUOUMUFL-RDJZCZTQSA-N 2 1 389.531 3.541 20 0 GHADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207825905 1034602808 /nfs/dbraw/zinc/60/28/08/1034602808.db2.gz DBNKIUNUOUMUFL-RDJZCZTQSA-N 2 1 389.531 3.541 20 0 GHADMP c1ccc(C2(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3cccnc3)C4)CC2)cc1 ZINC001207837507 1034614649 /nfs/dbraw/zinc/61/46/49/1034614649.db2.gz LYXMLLPOJLHZJA-UHFFFAOYSA-N 2 1 391.559 3.728 20 0 GHADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231534263 1034689121 /nfs/dbraw/zinc/68/91/21/1034689121.db2.gz VAHZNQDBCUQVMC-PMVMPFDFSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231534263 1034689127 /nfs/dbraw/zinc/68/91/27/1034689127.db2.gz VAHZNQDBCUQVMC-PMVMPFDFSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231534263 1034689133 /nfs/dbraw/zinc/68/91/33/1034689133.db2.gz VAHZNQDBCUQVMC-PMVMPFDFSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231534263 1034689139 /nfs/dbraw/zinc/68/91/39/1034689139.db2.gz VAHZNQDBCUQVMC-PMVMPFDFSA-N 2 1 394.563 3.996 20 0 GHADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157195 1034761090 /nfs/dbraw/zinc/76/10/90/1034761090.db2.gz UXSCZKRORLIBJW-JMUQELJHSA-N 2 1 383.536 3.700 20 0 GHADMP Cc1ccc([C@H](C)CC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157195 1034761101 /nfs/dbraw/zinc/76/11/01/1034761101.db2.gz UXSCZKRORLIBJW-JMUQELJHSA-N 2 1 383.536 3.700 20 0 GHADMP Cc1ccc([C@H](C)CC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157195 1034761115 /nfs/dbraw/zinc/76/11/15/1034761115.db2.gz UXSCZKRORLIBJW-JMUQELJHSA-N 2 1 383.536 3.700 20 0 GHADMP Cc1csc2sc(C[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)c(C)c12 ZINC001231830514 1034934001 /nfs/dbraw/zinc/93/40/01/1034934001.db2.gz CRKFXJHPGVFBFS-UHFFFAOYSA-N 2 1 391.606 3.566 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208588632 1034944731 /nfs/dbraw/zinc/94/47/31/1034944731.db2.gz JWBRQCPJRDRSKL-RPWUZVMVSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588632 1034944733 /nfs/dbraw/zinc/94/47/33/1034944733.db2.gz JWBRQCPJRDRSKL-RPWUZVMVSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588632 1034944740 /nfs/dbraw/zinc/94/47/40/1034944740.db2.gz JWBRQCPJRDRSKL-RPWUZVMVSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001208592280 1034946545 /nfs/dbraw/zinc/94/65/45/1034946545.db2.gz GVZNEOUBYRWGFB-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208624824 1034958788 /nfs/dbraw/zinc/95/87/88/1034958788.db2.gz QQQBWDLGGNUFLX-FCHUYYIVSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208624824 1034958790 /nfs/dbraw/zinc/95/87/90/1034958790.db2.gz QQQBWDLGGNUFLX-FCHUYYIVSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208624824 1034958792 /nfs/dbraw/zinc/95/87/92/1034958792.db2.gz QQQBWDLGGNUFLX-FCHUYYIVSA-N 2 1 399.579 3.697 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCO5)CC[C@@H]3C2)cc1 ZINC001231888770 1034969494 /nfs/dbraw/zinc/96/94/94/1034969494.db2.gz UPVJHXDHDLEUOC-RTWAWAEBSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c4OCCO5)CC[C@@H]3C2)cc1 ZINC001231888770 1034969499 /nfs/dbraw/zinc/96/94/99/1034969499.db2.gz UPVJHXDHDLEUOC-RTWAWAEBSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c4OCCO5)CC[C@@H]3C2)cc1 ZINC001231888770 1034969501 /nfs/dbraw/zinc/96/95/01/1034969501.db2.gz UPVJHXDHDLEUOC-RTWAWAEBSA-N 2 1 378.516 3.802 20 0 GHADMP C[C@@H](CC[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1)CC(C)(C)C ZINC001208658875 1034972278 /nfs/dbraw/zinc/97/22/78/1034972278.db2.gz DKNMLWMFHPKIRW-IBGZPJMESA-N 2 1 391.604 3.559 20 0 GHADMP CC(=O)N1CCC(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001208677909 1034979024 /nfs/dbraw/zinc/97/90/24/1034979024.db2.gz PBNHZFLBYOSAOH-KSEOMHKRSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001208677909 1034979027 /nfs/dbraw/zinc/97/90/27/1034979027.db2.gz PBNHZFLBYOSAOH-KSEOMHKRSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001208677909 1034979029 /nfs/dbraw/zinc/97/90/29/1034979029.db2.gz PBNHZFLBYOSAOH-KSEOMHKRSA-N 2 1 389.609 3.539 20 0 GHADMP CC(C)Oc1ncccc1CCN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800893 1035027882 /nfs/dbraw/zinc/02/78/82/1035027882.db2.gz FCNZSQAQGRHVOX-GOTSBHOMSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800893 1035027894 /nfs/dbraw/zinc/02/78/94/1035027894.db2.gz FCNZSQAQGRHVOX-GOTSBHOMSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800893 1035027899 /nfs/dbraw/zinc/02/78/99/1035027899.db2.gz FCNZSQAQGRHVOX-GOTSBHOMSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800893 1035027908 /nfs/dbraw/zinc/02/79/08/1035027908.db2.gz FCNZSQAQGRHVOX-GOTSBHOMSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800893 1035027924 /nfs/dbraw/zinc/02/79/24/1035027924.db2.gz FCNZSQAQGRHVOX-GOTSBHOMSA-N 2 1 379.548 3.865 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)nc(C)c1)CC2 ZINC001231997701 1035032650 /nfs/dbraw/zinc/03/26/50/1035032650.db2.gz FHEXAPDTSLZDCP-HSZRJFAPSA-N 2 1 394.563 3.597 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013185 1035042917 /nfs/dbraw/zinc/04/29/17/1035042917.db2.gz FNAKYYQVGSSLMN-JOCHJYFZSA-N 3 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013185 1035042923 /nfs/dbraw/zinc/04/29/23/1035042923.db2.gz FNAKYYQVGSSLMN-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013185 1035042930 /nfs/dbraw/zinc/04/29/30/1035042930.db2.gz FNAKYYQVGSSLMN-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP FC(F)(F)[C@H]1C[NH2+]CC[C@H]1Nc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001160735326 1035049699 /nfs/dbraw/zinc/04/96/99/1035049699.db2.gz DOOVETCHYXGBGU-PKOBYXMFSA-N 2 1 390.453 3.592 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1)Cc1ccc2ccccc2c1 ZINC001160848401 1035079278 /nfs/dbraw/zinc/07/92/78/1035079278.db2.gz FRYIBGLHZDXOBJ-ZCYQVOJMSA-N 2 1 399.538 3.541 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1)Cc1ccc2ccccc2c1 ZINC001160848401 1035079282 /nfs/dbraw/zinc/07/92/82/1035079282.db2.gz FRYIBGLHZDXOBJ-ZCYQVOJMSA-N 2 1 399.538 3.541 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ccncc3[nH]1)CC2 ZINC001232095102 1035092298 /nfs/dbraw/zinc/09/22/98/1035092298.db2.gz VXZPDBGSDOXHTI-IBGZPJMESA-N 2 1 396.560 3.880 20 0 GHADMP O=C1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)N1CC1CC1 ZINC001208933662 1035099515 /nfs/dbraw/zinc/09/95/15/1035099515.db2.gz DUWDRJJUKVHKCP-HSZRJFAPSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935786 1035101508 /nfs/dbraw/zinc/10/15/08/1035101508.db2.gz LOUKEGNPGRFUBG-XZOQPEGZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C([C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935786 1035101511 /nfs/dbraw/zinc/10/15/11/1035101511.db2.gz LOUKEGNPGRFUBG-XZOQPEGZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C([C@@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935786 1035101515 /nfs/dbraw/zinc/10/15/15/1035101515.db2.gz LOUKEGNPGRFUBG-XZOQPEGZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C(NC1CCC1)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936428 1035103625 /nfs/dbraw/zinc/10/36/25/1035103625.db2.gz SJDKWXDWHXBHGK-GGAORHGYSA-N 2 1 395.591 3.669 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208940598 1035109514 /nfs/dbraw/zinc/10/95/14/1035109514.db2.gz FFFCOUJZWKEYFM-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208940598 1035109517 /nfs/dbraw/zinc/10/95/17/1035109517.db2.gz FFFCOUJZWKEYFM-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP COc1cccc(OC2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208942497 1035111692 /nfs/dbraw/zinc/11/16/92/1035111692.db2.gz IUSIQAGRMJNBHJ-NRFANRHFSA-N 2 1 395.547 3.846 20 0 GHADMP O=C1CC2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc2N1 ZINC001208950755 1035122247 /nfs/dbraw/zinc/12/22/47/1035122247.db2.gz FAQUMUZBDMNQNN-OAQYLSRUSA-N 2 1 389.543 3.885 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001208952084 1035123213 /nfs/dbraw/zinc/12/32/13/1035123213.db2.gz BUZIECKDJYHUHA-NZQKXSOJSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001208952084 1035123218 /nfs/dbraw/zinc/12/32/18/1035123218.db2.gz BUZIECKDJYHUHA-NZQKXSOJSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001208952084 1035123221 /nfs/dbraw/zinc/12/32/21/1035123221.db2.gz BUZIECKDJYHUHA-NZQKXSOJSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1)c1ccc(F)cc1 ZINC001208952084 1035123226 /nfs/dbraw/zinc/12/32/26/1035123226.db2.gz BUZIECKDJYHUHA-NZQKXSOJSA-N 2 1 395.522 3.542 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)c1 ZINC001232148367 1035126270 /nfs/dbraw/zinc/12/62/70/1035126270.db2.gz CGMUUGBISPTBDP-UHFFFAOYSA-N 2 1 375.532 3.502 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)c1 ZINC001232148367 1035126274 /nfs/dbraw/zinc/12/62/74/1035126274.db2.gz CGMUUGBISPTBDP-UHFFFAOYSA-N 2 1 375.532 3.502 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001161054492 1035127138 /nfs/dbraw/zinc/12/71/38/1035127138.db2.gz AYFLTGJZKUXUOE-ZNTQHIFFSA-N 2 1 383.580 3.666 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]([NH3+])CCCc2ccccc2)CC1 ZINC001161057659 1035128552 /nfs/dbraw/zinc/12/85/52/1035128552.db2.gz DDFVTNMPBXPZEW-QHCPKHFHSA-N 2 1 397.538 3.599 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208956575 1035129601 /nfs/dbraw/zinc/12/96/01/1035129601.db2.gz BQTLZUIDBPOMDP-NFBKMPQASA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208956575 1035129605 /nfs/dbraw/zinc/12/96/05/1035129605.db2.gz BQTLZUIDBPOMDP-NFBKMPQASA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208956575 1035129613 /nfs/dbraw/zinc/12/96/13/1035129613.db2.gz BQTLZUIDBPOMDP-NFBKMPQASA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c1 ZINC001232151621 1035130488 /nfs/dbraw/zinc/13/04/88/1035130488.db2.gz PGGOFZJSZNAESC-FQEVSTJZSA-N 2 1 382.483 3.509 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CC1CCC3(CC1)OCCO3)CC2 ZINC001209101449 1035173196 /nfs/dbraw/zinc/17/31/96/1035173196.db2.gz OPGNLYQWHBIVLQ-UHFFFAOYSA-N 2 1 399.579 3.691 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001209117734 1035181167 /nfs/dbraw/zinc/18/11/67/1035181167.db2.gz CEKWVFOXEDFMSU-QGZVFWFLSA-N 2 1 398.469 3.597 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001209117734 1035181168 /nfs/dbraw/zinc/18/11/68/1035181168.db2.gz CEKWVFOXEDFMSU-QGZVFWFLSA-N 2 1 398.469 3.597 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCCc1cccnc1)CC2 ZINC001209172016 1035198312 /nfs/dbraw/zinc/19/83/12/1035198312.db2.gz AAVRCLUTHOKZHH-HXUWFJFHSA-N 2 1 385.577 3.831 20 0 GHADMP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1OCC[NH+](C)C ZINC001161283764 1035201246 /nfs/dbraw/zinc/20/12/46/1035201246.db2.gz IDEKBJZRPSDZJL-OAQYLSRUSA-N 2 1 399.510 3.678 20 0 GHADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)ccc1OCC[NH+](C)C ZINC001161283764 1035201249 /nfs/dbraw/zinc/20/12/49/1035201249.db2.gz IDEKBJZRPSDZJL-OAQYLSRUSA-N 2 1 399.510 3.678 20 0 GHADMP Fc1ccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1F ZINC001209245618 1035219173 /nfs/dbraw/zinc/21/91/73/1035219173.db2.gz XGYHUAZSYJOYET-UHFFFAOYSA-N 2 1 386.486 3.874 20 0 GHADMP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001161489133 1035239883 /nfs/dbraw/zinc/23/98/83/1035239883.db2.gz KLAYQCCOFZZLFV-CTNGQTDRSA-N 2 1 377.960 3.845 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CC4Cc5ccccc5C4)CC3)C2)cc1 ZINC001209320847 1035241863 /nfs/dbraw/zinc/24/18/63/1035241863.db2.gz NUODCPVUIKDLQJ-UHFFFAOYSA-N 2 1 376.544 3.768 20 0 GHADMP COC1CCC(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001209393252 1035267879 /nfs/dbraw/zinc/26/78/79/1035267879.db2.gz QJRQXYSTAPWFTI-UHFFFAOYSA-N 2 1 378.582 3.620 20 0 GHADMP COc1cc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc(F)c1O ZINC001209532032 1035306252 /nfs/dbraw/zinc/30/62/52/1035306252.db2.gz NXCMJYWVKRWKQK-XHYAQGIWSA-N 2 1 386.511 3.935 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2ccc3cc(OCc4ccccc4)ccc3n2)CC1 ZINC001161867072 1035317949 /nfs/dbraw/zinc/31/79/49/1035317949.db2.gz BZLFIYZSSHVYSO-UHFFFAOYSA-N 2 1 376.504 3.649 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2nc(Cl)nc3sc(-c4ccccc4)cc32)CC1 ZINC001161870502 1035318551 /nfs/dbraw/zinc/31/85/51/1035318551.db2.gz LIPHDTGGNUJWKM-UHFFFAOYSA-N 2 1 387.940 3.847 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC001241388955 1035573643 /nfs/dbraw/zinc/57/36/43/1035573643.db2.gz UXWWIQWFLIIOCY-UHFFFAOYSA-N 2 1 377.532 3.727 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccccc2-c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001241390495 1035573796 /nfs/dbraw/zinc/57/37/96/1035573796.db2.gz RYDDWGIUFWSITQ-UHFFFAOYSA-N 2 1 377.532 3.727 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)C1 ZINC001462117558 1070008226 /nfs/dbraw/zinc/00/82/26/1070008226.db2.gz RJCSDTLMTVLKPQ-OFNKIYASSA-N 2 1 389.559 3.760 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001462117558 1070008249 /nfs/dbraw/zinc/00/82/49/1070008249.db2.gz RJCSDTLMTVLKPQ-OFNKIYASSA-N 2 1 389.559 3.760 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001462117558 1070008266 /nfs/dbraw/zinc/00/82/66/1070008266.db2.gz RJCSDTLMTVLKPQ-OFNKIYASSA-N 2 1 389.559 3.760 20 0 GHADMP Cc1cc([NH+]2CCCCC2)ccc1NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245965375 1037088980 /nfs/dbraw/zinc/08/89/80/1037088980.db2.gz FPPSILCFLWXRIG-RBBKRZOGSA-N 2 1 389.490 3.606 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001245998141 1037119605 /nfs/dbraw/zinc/11/96/05/1037119605.db2.gz LRJNPOHPNUWAHF-GHTZIAJQSA-N 2 1 380.548 3.588 20 0 GHADMP O[C@@H](C[NH2+][C@H]1CC12C[NH2+]C2)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246011632 1037131639 /nfs/dbraw/zinc/13/16/39/1037131639.db2.gz XXLDEIRPWCWLDI-ROUUACIJSA-N 2 1 375.299 3.550 20 0 GHADMP CC(C)[N@@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)[C@@H]1CCC[NH2+]CC1 ZINC001246025940 1037143567 /nfs/dbraw/zinc/14/35/67/1037143567.db2.gz YJTFIIKKDUQQOD-RTBURBONSA-N 2 1 395.547 3.913 20 0 GHADMP CSCCC[N@H+]1CCC[C@@]2(CCN(Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426418 1037149735 /nfs/dbraw/zinc/14/97/35/1037149735.db2.gz NHKBPDXYHNQRCL-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CSCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426418 1037149742 /nfs/dbraw/zinc/14/97/42/1037149742.db2.gz NHKBPDXYHNQRCL-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CSCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426418 1037149756 /nfs/dbraw/zinc/14/97/56/1037149756.db2.gz NHKBPDXYHNQRCL-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CSCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426418 1037149772 /nfs/dbraw/zinc/14/97/72/1037149772.db2.gz NHKBPDXYHNQRCL-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CSCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426418 1037149792 /nfs/dbraw/zinc/14/97/92/1037149792.db2.gz NHKBPDXYHNQRCL-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CCC[N@@H+](CCOc1c(Cl)cc(Cl)cc1Cl)CC1(O)CC[NH2+]CC1 ZINC001246042377 1037157104 /nfs/dbraw/zinc/15/71/04/1037157104.db2.gz AINSHDCQFVTGRQ-UHFFFAOYSA-N 2 1 395.758 3.852 20 0 GHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001246049753 1037163116 /nfs/dbraw/zinc/16/31/16/1037163116.db2.gz AUCILCVGRYMIGU-QHCPKHFHSA-N 2 1 396.575 3.978 20 0 GHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001246049753 1037163128 /nfs/dbraw/zinc/16/31/28/1037163128.db2.gz AUCILCVGRYMIGU-QHCPKHFHSA-N 2 1 396.575 3.978 20 0 GHADMP COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246071853 1037185321 /nfs/dbraw/zinc/18/53/21/1037185321.db2.gz VGQONPJBUZWXIV-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP COc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246070254 1037185426 /nfs/dbraw/zinc/18/54/26/1037185426.db2.gz MRXJCSDVWGAHPU-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP CC[C@@H]1C[C@@H](N[C@@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)CC[NH2+]1 ZINC001246129776 1037206124 /nfs/dbraw/zinc/20/61/24/1037206124.db2.gz PKZZUXKFZRSHFC-RVKKMQEKSA-N 2 1 392.385 3.635 20 0 GHADMP Ic1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246196953 1037233396 /nfs/dbraw/zinc/23/33/96/1037233396.db2.gz IWGCSJHLDMKRMJ-ROUUACIJSA-N 2 1 392.284 3.874 20 0 GHADMP [NH3+]Cc1ccc(OCCCCCOc2ccc(CNC3CC[NH2+]CC3)cc2)cc1 ZINC001246202244 1037235343 /nfs/dbraw/zinc/23/53/43/1037235343.db2.gz SRZUZDSAZUJLKH-UHFFFAOYSA-N 2 1 397.563 3.615 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c2ccccc12 ZINC001246246317 1037251784 /nfs/dbraw/zinc/25/17/84/1037251784.db2.gz SVVKXFZZVYEYIS-XZDHIHRUSA-N 2 1 391.515 3.740 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC[NH2+]1 ZINC001246271095 1037266635 /nfs/dbraw/zinc/26/66/35/1037266635.db2.gz DXRVGVJVKLYPCB-ZRBLBEILSA-N 2 1 385.596 3.947 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246275469 1037271894 /nfs/dbraw/zinc/27/18/94/1037271894.db2.gz UVSQNYBCZUFBAD-MQFRRQCYSA-N 2 1 385.596 3.945 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H](N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC001246276612 1037273897 /nfs/dbraw/zinc/27/38/97/1037273897.db2.gz DJQJSLGWPSXQRT-AZKGINQHSA-N 2 1 379.523 3.647 20 0 GHADMP COc1ccccc1C1(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC001246378329 1037337663 /nfs/dbraw/zinc/33/76/63/1037337663.db2.gz WFRPJWCPPOESGG-IRLDBZIGSA-N 2 1 393.575 3.917 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)C[C@H](CC)[NH2+]1 ZINC001246393134 1037355127 /nfs/dbraw/zinc/35/51/27/1037355127.db2.gz WGDCQMVGWQGMCL-ACDBMABISA-N 2 1 381.499 3.934 20 0 GHADMP Fc1cccc([C@H](N[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246403579 1037360417 /nfs/dbraw/zinc/36/04/17/1037360417.db2.gz HJNNUJZLJKMGRR-TZRRMPRUSA-N 2 1 381.539 3.819 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4cccc(F)c4)n3c2)C[C@H](CC)[NH2+]1 ZINC001246439667 1037401670 /nfs/dbraw/zinc/40/16/70/1037401670.db2.gz POKDJZBNEUXQRK-ACDBMABISA-N 2 1 381.499 3.934 20 0 GHADMP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246452789 1037413133 /nfs/dbraw/zinc/41/31/33/1037413133.db2.gz UFHFZWBACQXZCK-GOSISDBHSA-N 3 1 375.988 3.958 20 0 GHADMP Clc1ccccc1C1(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246452789 1037413153 /nfs/dbraw/zinc/41/31/53/1037413153.db2.gz UFHFZWBACQXZCK-GOSISDBHSA-N 3 1 375.988 3.958 20 0 GHADMP OC[C@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1 ZINC001246502530 1037443756 /nfs/dbraw/zinc/44/37/56/1037443756.db2.gz XBVCRQVGOHMBPG-QKLQHJQFSA-N 2 1 379.331 3.980 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)CC2 ZINC001246504210 1037445316 /nfs/dbraw/zinc/44/53/16/1037445316.db2.gz OKUAPTYDGQOCCI-KSSFIOAISA-N 2 1 396.959 3.635 20 0 GHADMP COCC[N@@H+](C)[C@H](CN[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001246515184 1037451637 /nfs/dbraw/zinc/45/16/37/1037451637.db2.gz KYKGLDUPYQWSAU-XUVXKRRUSA-N 2 1 381.992 3.716 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246535125 1037467825 /nfs/dbraw/zinc/46/78/25/1037467825.db2.gz VXGBYMGJUWFIFC-YGOYIFOWSA-N 2 1 381.539 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246535125 1037467833 /nfs/dbraw/zinc/46/78/33/1037467833.db2.gz VXGBYMGJUWFIFC-YGOYIFOWSA-N 2 1 381.539 3.695 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001246580529 1037485867 /nfs/dbraw/zinc/48/58/67/1037485867.db2.gz WYPZUZGWBNORAN-IBGZPJMESA-N 2 1 380.374 3.869 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246590780 1037493648 /nfs/dbraw/zinc/49/36/48/1037493648.db2.gz IAQXGQGQWSLCDR-ZPFZUWPUSA-N 2 1 383.580 3.768 20 0 GHADMP COc1cccc(C(=O)C2CC[NH+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246593626 1037494105 /nfs/dbraw/zinc/49/41/05/1037494105.db2.gz JDECLQSPNWCJRA-DHIUTWEWSA-N 2 1 392.543 3.953 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4CC5(C[NH2+]C5)C4)C[C@@H]23)cc1 ZINC001246616608 1037505743 /nfs/dbraw/zinc/50/57/43/1037505743.db2.gz YOMNGCFAAOHIQR-BFLUCZKCSA-N 2 1 387.571 3.657 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617969 1037509012 /nfs/dbraw/zinc/50/90/12/1037509012.db2.gz FAHJDWUYBUZPBP-NDBXHCKUSA-N 2 1 387.571 3.871 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246624301 1037513060 /nfs/dbraw/zinc/51/30/60/1037513060.db2.gz OYRFSDAUAXPTCP-ZLNRFVROSA-N 3 1 399.623 3.957 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246624301 1037513081 /nfs/dbraw/zinc/51/30/81/1037513081.db2.gz OYRFSDAUAXPTCP-ZLNRFVROSA-N 3 1 399.623 3.957 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@@H+]([C@H]1CCc3cccc(Br)c3C1)C2 ZINC001246636277 1037520631 /nfs/dbraw/zinc/52/06/31/1037520631.db2.gz FZSGOCSFGNEKJK-WMLDXEAASA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@H+]([C@H]1CCc3cccc(Br)c3C1)C2 ZINC001246636277 1037520650 /nfs/dbraw/zinc/52/06/50/1037520650.db2.gz FZSGOCSFGNEKJK-WMLDXEAASA-N 2 1 385.296 3.627 20 0 GHADMP COc1cccc(C[C@@H](C)[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1 ZINC001246634852 1037521044 /nfs/dbraw/zinc/52/10/44/1037521044.db2.gz HTDAREOHLLPLJJ-GOSISDBHSA-N 2 1 380.532 3.772 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3c(cccc3OC)C1)CC2 ZINC001246637116 1037521519 /nfs/dbraw/zinc/52/15/19/1037521519.db2.gz LGUAQQSXTKORQD-FQEVSTJZSA-N 2 1 392.543 3.698 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@@H+]([C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001246638599 1037523067 /nfs/dbraw/zinc/52/30/67/1037523067.db2.gz MROGZTHRZIJBJZ-SJORKVTESA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@H+]([C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001246638599 1037523082 /nfs/dbraw/zinc/52/30/82/1037523082.db2.gz MROGZTHRZIJBJZ-SJORKVTESA-N 2 1 385.296 3.627 20 0 GHADMP C[C@@H]1C[C@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)C[N@@H+]1Cc1ccccc1 ZINC001246639497 1037523394 /nfs/dbraw/zinc/52/33/94/1037523394.db2.gz OTTJHEQLEJLPAR-OFNKIYASSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@@H]1C[C@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)C[N@H+]1Cc1ccccc1 ZINC001246639497 1037523408 /nfs/dbraw/zinc/52/34/08/1037523408.db2.gz OTTJHEQLEJLPAR-OFNKIYASSA-N 2 1 375.560 3.786 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCCC[C@@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246655290 1037528924 /nfs/dbraw/zinc/52/89/24/1037528924.db2.gz YVYWCZOGWSYCLW-UCKMRUJXSA-N 2 1 395.591 3.926 20 0 GHADMP O=C(OC1CCC([N@@H+]2C[C@H]3c4ccccc4CN[C@@H]3C2)CC1)c1ccccc1 ZINC001246661614 1037533492 /nfs/dbraw/zinc/53/34/92/1037533492.db2.gz GUABOZOYEMSMKX-ZYFYDLNSSA-N 2 1 376.500 3.726 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246672157 1037536923 /nfs/dbraw/zinc/53/69/23/1037536923.db2.gz KLWOKELKCVHVIX-PQNGQFLHSA-N 2 1 378.516 3.816 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2CN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001246673914 1037540164 /nfs/dbraw/zinc/54/01/64/1037540164.db2.gz QMRLBMJXJBUXAG-OHICZFOWSA-N 2 1 379.592 3.645 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CC3)cc1 ZINC001246673914 1037540176 /nfs/dbraw/zinc/54/01/76/1037540176.db2.gz QMRLBMJXJBUXAG-OHICZFOWSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001246673914 1037540191 /nfs/dbraw/zinc/54/01/91/1037540191.db2.gz QMRLBMJXJBUXAG-OHICZFOWSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001246673914 1037540203 /nfs/dbraw/zinc/54/02/03/1037540203.db2.gz QMRLBMJXJBUXAG-OHICZFOWSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001246673914 1037540220 /nfs/dbraw/zinc/54/02/20/1037540220.db2.gz QMRLBMJXJBUXAG-OHICZFOWSA-N 3 1 379.592 3.645 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677258 1037543872 /nfs/dbraw/zinc/54/38/72/1037543872.db2.gz MGYDGQOMPLKOJY-GPJHCHHRSA-N 2 1 378.516 3.586 20 0 GHADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246678638 1037544256 /nfs/dbraw/zinc/54/42/56/1037544256.db2.gz PAJQHRFHVATMDP-PKTZIBPZSA-N 2 1 380.532 3.805 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)CC2 ZINC001246687105 1037548365 /nfs/dbraw/zinc/54/83/65/1037548365.db2.gz VABXQFHSVSEBHY-AZQWGEHQSA-N 2 1 396.575 3.752 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@H](CC)[NH2+]1 ZINC001246705823 1037559744 /nfs/dbraw/zinc/55/97/44/1037559744.db2.gz BCNHWSQZVACSEE-WEMPKCCASA-N 2 1 389.609 3.985 20 0 GHADMP c1ccc(OC[C@@]23CCCO[C@H]2CC[N@H+](C2CCC4(CC[NH2+]CC4)CC2)C3)nc1 ZINC001246713126 1037564094 /nfs/dbraw/zinc/56/40/94/1037564094.db2.gz XTYLBVXNGKIWTG-URXFXBBRSA-N 2 1 399.579 3.644 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)o1 ZINC001246711567 1037565414 /nfs/dbraw/zinc/56/54/14/1037565414.db2.gz YORYRCMASXLBHN-AWAHEQQVSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)o1 ZINC001246711567 1037565429 /nfs/dbraw/zinc/56/54/29/1037565429.db2.gz YORYRCMASXLBHN-AWAHEQQVSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)o1 ZINC001246711567 1037565442 /nfs/dbraw/zinc/56/54/42/1037565442.db2.gz YORYRCMASXLBHN-AWAHEQQVSA-N 2 1 379.548 3.600 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CC3)cc1 ZINC001246717409 1037569783 /nfs/dbraw/zinc/56/97/83/1037569783.db2.gz IAICCJBQYXBMSQ-UHFFFAOYSA-N 2 1 394.538 3.996 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)N1c1ccccc1 ZINC001246729187 1037577483 /nfs/dbraw/zinc/57/74/83/1037577483.db2.gz NUXBHELVOFKXEZ-GNLZIIPMSA-N 2 1 389.543 3.620 20 0 GHADMP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246750693 1037590272 /nfs/dbraw/zinc/59/02/72/1037590272.db2.gz HBWHAXHMPXPDCP-UHFFFAOYSA-N 2 1 391.563 3.530 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)CC[NH2+]1 ZINC001246753092 1037593795 /nfs/dbraw/zinc/59/37/95/1037593795.db2.gz ATRNYZOKADCBNJ-LVCYWYKZSA-N 2 1 375.582 3.796 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756132 1037598100 /nfs/dbraw/zinc/59/81/00/1037598100.db2.gz MXMNKLNRTSFPLO-RJGXRXQPSA-N 2 1 389.559 3.521 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246759341 1037602309 /nfs/dbraw/zinc/60/23/09/1037602309.db2.gz ROOXAOZZNUJIEZ-ZFFYZDHPSA-N 2 1 398.591 3.505 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246813685 1037648150 /nfs/dbraw/zinc/64/81/50/1037648150.db2.gz MLWFEUBXENBOBC-YRPNKDGESA-N 2 1 375.601 3.704 20 0 GHADMP Cc1ccccc1O[C@H](CC[N@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246824056 1037656154 /nfs/dbraw/zinc/65/61/54/1037656154.db2.gz OLWXRVDVRYQZOJ-JTHBVZDNSA-N 2 1 379.548 3.531 20 0 GHADMP c1ccc(C[C@H]2C[C@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)CC[NH2+]2)cc1 ZINC001246848643 1037674172 /nfs/dbraw/zinc/67/41/72/1037674172.db2.gz ZBJOKEZQHMHGKA-AZGAKELHSA-N 2 1 389.587 3.872 20 0 GHADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246851019 1037677751 /nfs/dbraw/zinc/67/77/51/1037677751.db2.gz AGWVQGNLUCNEBH-QNWVGRARSA-N 2 1 382.548 3.802 20 0 GHADMP c1ccc(COC2CCC([N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246882501 1037699741 /nfs/dbraw/zinc/69/97/41/1037699741.db2.gz YROGGBZYETVBTC-OVVICAPSSA-N 2 1 376.544 3.987 20 0 GHADMP CCCC[C@H]1C[C@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888063 1037702930 /nfs/dbraw/zinc/70/29/30/1037702930.db2.gz MUDXYPDWXDTJMZ-VQTJNVASSA-N 2 1 377.960 3.799 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888063 1037702948 /nfs/dbraw/zinc/70/29/48/1037702948.db2.gz MUDXYPDWXDTJMZ-VQTJNVASSA-N 2 1 377.960 3.799 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246890309 1037706825 /nfs/dbraw/zinc/70/68/25/1037706825.db2.gz ISFPKVYZTCDIGL-WMTXJRDZSA-N 2 1 385.596 3.904 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246894096 1037709292 /nfs/dbraw/zinc/70/92/92/1037709292.db2.gz NHPCZQYKHPCHII-BKKFENPESA-N 2 1 389.587 3.804 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCN([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894754 1037710127 /nfs/dbraw/zinc/71/01/27/1037710127.db2.gz PWXBHMMQSDDYTQ-JBXUNAHCSA-N 2 1 375.560 3.934 20 0 GHADMP CC(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC[NH2+]1 ZINC001246906184 1037715827 /nfs/dbraw/zinc/71/58/27/1037715827.db2.gz DBJXWBNEHBLIDX-LEWJYISDSA-N 2 1 387.568 3.541 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246934634 1037736472 /nfs/dbraw/zinc/73/64/72/1037736472.db2.gz JNLKYWKLVOGXGH-BTDURJGWSA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246934634 1037736490 /nfs/dbraw/zinc/73/64/90/1037736490.db2.gz JNLKYWKLVOGXGH-BTDURJGWSA-N 2 1 388.527 3.892 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001246935354 1037739256 /nfs/dbraw/zinc/73/92/56/1037739256.db2.gz HEHIIWXOGVSMMV-QGZVFWFLSA-N 2 1 384.495 3.798 20 0 GHADMP CC[C@H]1C[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CCO1 ZINC001246936931 1037742064 /nfs/dbraw/zinc/74/20/64/1037742064.db2.gz KOLDCJVBUUVJIV-MOPGFXCFSA-N 2 1 381.358 3.961 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246948795 1037753205 /nfs/dbraw/zinc/75/32/05/1037753205.db2.gz MDLWMPSMTUTODQ-AGILITTLSA-N 2 1 378.564 3.689 20 0 GHADMP COc1ccc(CN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246952286 1037756281 /nfs/dbraw/zinc/75/62/81/1037756281.db2.gz KLUBHBINGYHUQV-GBXCKJPGSA-N 2 1 393.575 3.912 20 0 GHADMP CCn1c2ccccc2nc1N1CC[NH+]([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246965406 1037787133 /nfs/dbraw/zinc/78/71/33/1037787133.db2.gz HRIBIULTKLVKFZ-IBGZPJMESA-N 2 1 381.568 3.633 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246965774 1037788495 /nfs/dbraw/zinc/78/84/95/1037788495.db2.gz RXCDXSHOLZYGRS-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP CCCCOC(=O)CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246969652 1037792282 /nfs/dbraw/zinc/79/22/82/1037792282.db2.gz ZTKBQGPMAVQOPV-GOSISDBHSA-N 2 1 376.541 3.761 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccc(C(=O)NCCC)cc3)C2)CC[NH2+]1 ZINC001246974309 1037796430 /nfs/dbraw/zinc/79/64/30/1037796430.db2.gz PGXJZECAZUQKBY-VWPQPMDRSA-N 2 1 387.568 3.590 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)c1 ZINC001246975906 1037799362 /nfs/dbraw/zinc/79/93/62/1037799362.db2.gz DDXJBTVUCQFPLU-DENIHFKCSA-N 2 1 398.526 3.589 20 0 GHADMP CC[C@H]1C[C@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC[NH2+]1 ZINC001246984338 1037808078 /nfs/dbraw/zinc/80/80/78/1037808078.db2.gz LJNRDBTYPMPMOE-JTHBVZDNSA-N 2 1 379.548 3.918 20 0 GHADMP Brc1ccc2c(c1)C[N@@H+](C1CCC3(CC[NH2+]CC3)CC1)CCO2 ZINC001246984008 1037809233 /nfs/dbraw/zinc/80/92/33/1037809233.db2.gz DUCWOAGDDKIUGZ-UHFFFAOYSA-N 2 1 379.342 3.956 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247000851 1037826446 /nfs/dbraw/zinc/82/64/46/1037826446.db2.gz HDJMGRYGFUBFOX-FQEVSTJZSA-N 2 1 378.516 3.873 20 0 GHADMP c1ccc2c(c1)nc(-c1cccc(C[NH+]3CCOCC3)c1)n2CC1CC[NH2+]CC1 ZINC001247023056 1037843987 /nfs/dbraw/zinc/84/39/87/1037843987.db2.gz BONKZWYSKVHOKU-UHFFFAOYSA-N 2 1 390.531 3.535 20 0 GHADMP Fc1ccc(CCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC001462221059 1070096077 /nfs/dbraw/zinc/09/60/77/1070096077.db2.gz KYLZCXSRDXJHEI-JOCHJYFZSA-N 2 1 399.529 3.790 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001232300036 1038044967 /nfs/dbraw/zinc/04/49/67/1038044967.db2.gz LTYFYLNTXFNMLX-UHFFFAOYSA-N 2 1 386.561 3.762 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001232300036 1038044984 /nfs/dbraw/zinc/04/49/84/1038044984.db2.gz LTYFYLNTXFNMLX-UHFFFAOYSA-N 2 1 386.561 3.762 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001232407141 1038189595 /nfs/dbraw/zinc/18/95/95/1038189595.db2.gz OBORZJSOZGYMRU-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP COc1cncc(OC)c1C[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001232504795 1038276221 /nfs/dbraw/zinc/27/62/21/1038276221.db2.gz ZUPCZFRPVCLAMJ-NRFANRHFSA-N 2 1 385.508 3.568 20 0 GHADMP COc1cncc(OC)c1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001232504795 1038276224 /nfs/dbraw/zinc/27/62/24/1038276224.db2.gz ZUPCZFRPVCLAMJ-NRFANRHFSA-N 2 1 385.508 3.568 20 0 GHADMP C[C@H](c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1)C1CC[NH2+]CC1 ZINC001247793556 1038384559 /nfs/dbraw/zinc/38/45/59/1038384559.db2.gz PVXSIWPNTKELJS-ORAYPTAESA-N 2 1 381.455 3.711 20 0 GHADMP Fc1cc(-c2noc(C3CC4(C3)CC[NH2+]CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247858299 1038428778 /nfs/dbraw/zinc/42/87/78/1038428778.db2.gz MHQRMZWIMKVLGO-LJQANCHMSA-N 2 1 393.466 3.855 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651808 1038439085 /nfs/dbraw/zinc/43/90/85/1038439085.db2.gz WKYQUMVPKKYRKG-GKVQRAMASA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651808 1038439090 /nfs/dbraw/zinc/43/90/90/1038439090.db2.gz WKYQUMVPKKYRKG-GKVQRAMASA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651808 1038439100 /nfs/dbraw/zinc/43/91/00/1038439100.db2.gz WKYQUMVPKKYRKG-GKVQRAMASA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651808 1038439108 /nfs/dbraw/zinc/43/91/08/1038439108.db2.gz WKYQUMVPKKYRKG-GKVQRAMASA-N 2 1 387.531 3.757 20 0 GHADMP Clc1ccnc2c(-c3noc([C@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)cccc12 ZINC001247904388 1038476651 /nfs/dbraw/zinc/47/66/51/1038476651.db2.gz FASVYJOARPDPAC-AWEZNQCLSA-N 2 1 397.910 3.870 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1-c1noc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247904396 1038476676 /nfs/dbraw/zinc/47/66/76/1038476676.db2.gz FEOPIZDUOVZJQP-AWEZNQCLSA-N 2 1 394.441 3.995 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(C(F)(F)F)c1 ZINC001247905652 1038477019 /nfs/dbraw/zinc/47/70/19/1038477019.db2.gz JTEDOSFUXMRVIP-GFCCVEGCSA-N 2 1 398.404 3.826 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(F)c1Cl ZINC001247905726 1038477400 /nfs/dbraw/zinc/47/74/00/1038477400.db2.gz PPUPUXYXROHKSG-LLVKDONJSA-N 2 1 382.842 3.600 20 0 GHADMP Fc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1C(F)(F)F ZINC001247905544 1038478530 /nfs/dbraw/zinc/47/85/30/1038478530.db2.gz IKAAPJXGSOPLED-ZDUSSCGKSA-N 2 1 398.404 3.826 20 0 GHADMP FC(F)(F)Oc1cccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247907003 1038480738 /nfs/dbraw/zinc/48/07/38/1038480738.db2.gz QCGWAPLVZANBDA-AWEZNQCLSA-N 2 1 396.413 3.567 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@H]2CN2CCOCC2)CC[NH+](Cc2ccccc2)C1 ZINC001462291136 1070148719 /nfs/dbraw/zinc/14/87/19/1070148719.db2.gz NEFBEVAPEBDIHL-UKILVPOCSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@H]2CN2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001462291136 1070148721 /nfs/dbraw/zinc/14/87/21/1070148721.db2.gz NEFBEVAPEBDIHL-UKILVPOCSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@H]2CN2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462291136 1070148725 /nfs/dbraw/zinc/14/87/25/1070148725.db2.gz NEFBEVAPEBDIHL-UKILVPOCSA-N 2 1 399.623 3.721 20 0 GHADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(C5CC5)cc4)CC[C@@H]3C2)c1 ZINC001232984536 1038751518 /nfs/dbraw/zinc/75/15/18/1038751518.db2.gz VUPCKHKATXESQA-DNQXCXABSA-N 2 1 377.532 3.682 20 0 GHADMP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C5CC5)cc4)CC[C@@H]3C2)c1 ZINC001232984536 1038751528 /nfs/dbraw/zinc/75/15/28/1038751528.db2.gz VUPCKHKATXESQA-DNQXCXABSA-N 2 1 377.532 3.682 20 0 GHADMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C5CC5)cc4)CC[C@@H]3C2)c1 ZINC001232984536 1038751534 /nfs/dbraw/zinc/75/15/34/1038751534.db2.gz VUPCKHKATXESQA-DNQXCXABSA-N 2 1 377.532 3.682 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001278646176 1038884548 /nfs/dbraw/zinc/88/45/48/1038884548.db2.gz RPUZDMFXVHRXTF-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(Cl)n1)CC2 ZINC001278646176 1038884579 /nfs/dbraw/zinc/88/45/79/1038884579.db2.gz RPUZDMFXVHRXTF-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276419 1039046014 /nfs/dbraw/zinc/04/60/14/1039046014.db2.gz LWVCOMGPQKFULD-AJSBUHFISA-N 2 1 377.532 3.749 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276419 1039046032 /nfs/dbraw/zinc/04/60/32/1039046032.db2.gz LWVCOMGPQKFULD-AJSBUHFISA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276419 1039046041 /nfs/dbraw/zinc/04/60/41/1039046041.db2.gz LWVCOMGPQKFULD-AJSBUHFISA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276419 1039046056 /nfs/dbraw/zinc/04/60/56/1039046056.db2.gz LWVCOMGPQKFULD-AJSBUHFISA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276419 1039046075 /nfs/dbraw/zinc/04/60/75/1039046075.db2.gz LWVCOMGPQKFULD-AJSBUHFISA-N 2 1 377.532 3.749 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC001252695657 1039083527 /nfs/dbraw/zinc/08/35/27/1039083527.db2.gz DUOFUTRDURLYSK-UHFFFAOYSA-N 2 1 378.605 3.691 20 0 GHADMP COc1ccc(C2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001252926585 1039266583 /nfs/dbraw/zinc/26/65/83/1039266583.db2.gz BGPTZUXZJMVHBS-DEOSSOPVSA-N 2 1 380.532 3.512 20 0 GHADMP COc1ccc(C2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001252926585 1039266594 /nfs/dbraw/zinc/26/65/94/1039266594.db2.gz BGPTZUXZJMVHBS-DEOSSOPVSA-N 2 1 380.532 3.512 20 0 GHADMP O[C@]1(C[NH2+]CCc2c(Cl)cccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252943173 1039287881 /nfs/dbraw/zinc/28/78/81/1039287881.db2.gz GGDLEOUZOFXICZ-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@]1(C[NH2+]CCc2c(Cl)cccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943173 1039287891 /nfs/dbraw/zinc/28/78/91/1039287891.db2.gz GGDLEOUZOFXICZ-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948017 1039291624 /nfs/dbraw/zinc/29/16/24/1039291624.db2.gz IFNUOMCLYLDLIH-BJKOFHAPSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948017 1039291629 /nfs/dbraw/zinc/29/16/29/1039291629.db2.gz IFNUOMCLYLDLIH-BJKOFHAPSA-N 2 1 398.522 3.520 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001253023065 1039356946 /nfs/dbraw/zinc/35/69/46/1039356946.db2.gz UAKPHAFKENGJDC-PZJWPPBQSA-N 2 1 377.573 3.542 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1Cl ZINC001253103057 1039425159 /nfs/dbraw/zinc/42/51/59/1039425159.db2.gz GJJFUBBPNJMEPZ-QGZVFWFLSA-N 2 1 387.955 3.947 20 0 GHADMP O[C@H](CCOCc1ccccc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001253269901 1039515387 /nfs/dbraw/zinc/51/53/87/1039515387.db2.gz DKKHENVLDAHBJA-HSZRJFAPSA-N 2 1 398.547 3.535 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H](O)c1ccc(F)c(F)c1)CC2 ZINC001253352031 1039564393 /nfs/dbraw/zinc/56/43/93/1039564393.db2.gz UDIQZGGVELMLHQ-SFTDATJTSA-N 2 1 390.474 3.968 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253488212 1039668516 /nfs/dbraw/zinc/66/85/16/1039668516.db2.gz BWMAFBGKJKMYDR-JQVVWYNYSA-N 2 1 378.988 3.933 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253488212 1039668522 /nfs/dbraw/zinc/66/85/22/1039668522.db2.gz BWMAFBGKJKMYDR-JQVVWYNYSA-N 2 1 378.988 3.933 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253488212 1039668529 /nfs/dbraw/zinc/66/85/29/1039668529.db2.gz BWMAFBGKJKMYDR-JQVVWYNYSA-N 2 1 378.988 3.933 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cc1 ZINC001253826740 1039832198 /nfs/dbraw/zinc/83/21/98/1039832198.db2.gz WYEWKZHMYQFNIZ-KMAVCZJNSA-N 2 1 394.559 3.845 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cc1 ZINC001253826740 1039832220 /nfs/dbraw/zinc/83/22/20/1039832220.db2.gz WYEWKZHMYQFNIZ-KMAVCZJNSA-N 2 1 394.559 3.845 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc1 ZINC001253826740 1039832245 /nfs/dbraw/zinc/83/22/45/1039832245.db2.gz WYEWKZHMYQFNIZ-KMAVCZJNSA-N 2 1 394.559 3.845 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc1 ZINC001253826740 1039832270 /nfs/dbraw/zinc/83/22/70/1039832270.db2.gz WYEWKZHMYQFNIZ-KMAVCZJNSA-N 2 1 394.559 3.845 20 0 GHADMP COc1ccc([C@@H]2CCC[N@H+]2CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001254036761 1039967435 /nfs/dbraw/zinc/96/74/35/1039967435.db2.gz KWLBYNJKPXQLDJ-QHCPKHFHSA-N 2 1 380.532 3.859 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234394787 1039999904 /nfs/dbraw/zinc/99/99/04/1039999904.db2.gz BKNBEQDYWSAPHT-FGZHOGPDSA-N 2 1 386.584 3.603 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)CC[NH+](Cc2ccccc2)C1 ZINC001462450429 1070261336 /nfs/dbraw/zinc/26/13/36/1070261336.db2.gz IFKRIHWRQIDQKO-DHLKQENFSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@H](CN3CCCC3=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001462450429 1070261345 /nfs/dbraw/zinc/26/13/45/1070261345.db2.gz IFKRIHWRQIDQKO-DHLKQENFSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@H](CN3CCCC3=O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462450429 1070261355 /nfs/dbraw/zinc/26/13/55/1070261355.db2.gz IFKRIHWRQIDQKO-DHLKQENFSA-N 2 1 397.607 3.869 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]C2(Cc3cccc(Br)c3)CCOCC2)CC1 ZINC001254509923 1040288817 /nfs/dbraw/zinc/28/88/17/1040288817.db2.gz KFKKQEDBJBLZPH-GOSISDBHSA-N 2 1 381.358 3.615 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001235031286 1040522487 /nfs/dbraw/zinc/52/24/87/1040522487.db2.gz KHLZHLQUYYKBKK-UXHICEINSA-N 2 1 393.510 3.508 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001235031286 1040522504 /nfs/dbraw/zinc/52/25/04/1040522504.db2.gz KHLZHLQUYYKBKK-UXHICEINSA-N 2 1 393.510 3.508 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001235031286 1040522521 /nfs/dbraw/zinc/52/25/21/1040522521.db2.gz KHLZHLQUYYKBKK-UXHICEINSA-N 2 1 393.510 3.508 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c(-c5ccccc5F)c4)C[C@@H]3C2)cn1 ZINC001235031286 1040522539 /nfs/dbraw/zinc/52/25/39/1040522539.db2.gz KHLZHLQUYYKBKK-UXHICEINSA-N 2 1 393.510 3.508 20 0 GHADMP c1[nH]c2cc(OCc3ccccc3)ccc2c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036180 1040528608 /nfs/dbraw/zinc/52/86/08/1040528608.db2.gz JHLAJKCDZPARIH-NTKDMRAZSA-N 2 1 391.515 3.557 20 0 GHADMP Cc1nnc(-c2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2)o1 ZINC001235065553 1040556470 /nfs/dbraw/zinc/55/64/70/1040556470.db2.gz KGFVYVQDIICSBR-XZOQPEGZSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2)o1 ZINC001235065553 1040556477 /nfs/dbraw/zinc/55/64/77/1040556477.db2.gz KGFVYVQDIICSBR-XZOQPEGZSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2)o1 ZINC001235065553 1040556487 /nfs/dbraw/zinc/55/64/87/1040556487.db2.gz KGFVYVQDIICSBR-XZOQPEGZSA-N 2 1 388.515 3.999 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC([N@H+]3CCc4[nH+]ccn4CC3)CC2)CC1 ZINC001254796994 1040558430 /nfs/dbraw/zinc/55/84/30/1040558430.db2.gz JHPINKBOYZKGTE-UHFFFAOYSA-N 2 1 388.556 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC([N@@H+]3CCc4[nH+]ccn4CC3)CC2)CC1 ZINC001254796994 1040558441 /nfs/dbraw/zinc/55/84/41/1040558441.db2.gz JHPINKBOYZKGTE-UHFFFAOYSA-N 2 1 388.556 3.701 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093178 1040582976 /nfs/dbraw/zinc/58/29/76/1040582976.db2.gz QAUPWUQKENOTET-UHFFFAOYSA-N 2 1 375.900 3.574 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254880506 1040631271 /nfs/dbraw/zinc/63/12/71/1040631271.db2.gz LEWFQIBJKGEHLC-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP Ic1cccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235151704 1040642707 /nfs/dbraw/zinc/64/27/07/1040642707.db2.gz AJRGERHGMWOHFL-QGZVFWFLSA-N 2 1 384.305 3.645 20 0 GHADMP FC(F)(F)c1csc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001278823458 1040643723 /nfs/dbraw/zinc/64/37/23/1040643723.db2.gz ZJDZBRPVFKFHPV-OKILXGFUSA-N 2 1 384.471 3.834 20 0 GHADMP FC(F)(F)c1csc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001278823458 1040643730 /nfs/dbraw/zinc/64/37/30/1040643730.db2.gz ZJDZBRPVFKFHPV-OKILXGFUSA-N 2 1 384.471 3.834 20 0 GHADMP FC(F)(F)c1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001278823458 1040643736 /nfs/dbraw/zinc/64/37/36/1040643736.db2.gz ZJDZBRPVFKFHPV-OKILXGFUSA-N 2 1 384.471 3.834 20 0 GHADMP FC(F)(F)c1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001278823458 1040643740 /nfs/dbraw/zinc/64/37/40/1040643740.db2.gz ZJDZBRPVFKFHPV-OKILXGFUSA-N 2 1 384.471 3.834 20 0 GHADMP FC(F)(F)c1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001278823458 1040643747 /nfs/dbraw/zinc/64/37/47/1040643747.db2.gz ZJDZBRPVFKFHPV-OKILXGFUSA-N 2 1 384.471 3.834 20 0 GHADMP c1ccc2c(c1)sc1ccc(C[N@@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)cc12 ZINC001235197684 1040687864 /nfs/dbraw/zinc/68/78/64/1040687864.db2.gz BPVFMSJLTMIIGR-QFIPXVFZSA-N 2 1 382.529 3.635 20 0 GHADMP c1ccc2c(c1)sc1ccc(C[N@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)cc12 ZINC001235197684 1040687870 /nfs/dbraw/zinc/68/78/70/1040687870.db2.gz BPVFMSJLTMIIGR-QFIPXVFZSA-N 2 1 382.529 3.635 20 0 GHADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)c2)cc1 ZINC001235223331 1040705402 /nfs/dbraw/zinc/70/54/02/1040705402.db2.gz DJFRAKWIAGGIST-ICSRJNTNSA-N 2 1 376.422 3.946 20 0 GHADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H]4C[NH2+]C[C@]4(C(F)(F)F)C3)c2)cc1 ZINC001235223331 1040705419 /nfs/dbraw/zinc/70/54/19/1040705419.db2.gz DJFRAKWIAGGIST-ICSRJNTNSA-N 2 1 376.422 3.946 20 0 GHADMP COc1ccc(Br)c(OC)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235238252 1040718260 /nfs/dbraw/zinc/71/82/60/1040718260.db2.gz BXPPGILHHPSBTM-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1Br ZINC001235238888 1040719446 /nfs/dbraw/zinc/71/94/46/1040719446.db2.gz FKQAOZQNLCFIKJ-SFHVURJKSA-N 2 1 395.341 3.590 20 0 GHADMP COc1cc(Br)cc(OC)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235240282 1040721304 /nfs/dbraw/zinc/72/13/04/1040721304.db2.gz LIEQYMBLNZUOBA-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117886 1040805433 /nfs/dbraw/zinc/80/54/33/1040805433.db2.gz XDQSTFKFGRZGHK-DQEYMECFSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117886 1040805450 /nfs/dbraw/zinc/80/54/50/1040805450.db2.gz XDQSTFKFGRZGHK-DQEYMECFSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117886 1040805460 /nfs/dbraw/zinc/80/54/60/1040805460.db2.gz XDQSTFKFGRZGHK-DQEYMECFSA-N 2 1 375.560 3.859 20 0 GHADMP CN1C(=O)CCC12CCC([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255122028 1040813228 /nfs/dbraw/zinc/81/32/28/1040813228.db2.gz KCBSYJYIPLZEIH-VXEKKEJVSA-N 2 1 381.564 3.705 20 0 GHADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255125952 1040818157 /nfs/dbraw/zinc/81/81/57/1040818157.db2.gz IHSBCPGEOXXMKJ-ACDBMABISA-N 2 1 385.552 3.829 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235348966 1040822968 /nfs/dbraw/zinc/82/29/68/1040822968.db2.gz IEYQKWURSRMSTD-UPVQGACJSA-N 2 1 378.516 3.718 20 0 GHADMP COc1ccnc(C2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255130798 1040823681 /nfs/dbraw/zinc/82/36/81/1040823681.db2.gz ATKDVDYKGFSNGI-MZADTFQBSA-N 2 1 377.532 3.907 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131031 1040824730 /nfs/dbraw/zinc/82/47/30/1040824730.db2.gz LUGRYZRRWCNVEA-ODAXIHTASA-N 2 1 376.548 3.836 20 0 GHADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)ccc2[nH]1 ZINC001235358038 1040841379 /nfs/dbraw/zinc/84/13/79/1040841379.db2.gz KPQSWPOVYQKQTG-HYBUGGRVSA-N 2 1 389.499 3.534 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(C)c1OCCO ZINC001235363509 1040849479 /nfs/dbraw/zinc/84/94/79/1040849479.db2.gz ACUQARRJENFFKF-ZEQRLZLVSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(C)c1OCCO ZINC001235363509 1040849485 /nfs/dbraw/zinc/84/94/85/1040849485.db2.gz ACUQARRJENFFKF-ZEQRLZLVSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)c1OCCO ZINC001235363509 1040849499 /nfs/dbraw/zinc/84/94/99/1040849499.db2.gz ACUQARRJENFFKF-ZEQRLZLVSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)c1OCCO ZINC001235363509 1040849519 /nfs/dbraw/zinc/84/95/19/1040849519.db2.gz ACUQARRJENFFKF-ZEQRLZLVSA-N 2 1 394.559 3.628 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CC[C@@]4(C[C@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142057 1040851317 /nfs/dbraw/zinc/85/13/17/1040851317.db2.gz FREMXEXHBSDGOS-VCDBXAJLSA-N 2 1 396.575 3.842 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@@]4(C[C@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142057 1040851333 /nfs/dbraw/zinc/85/13/33/1040851333.db2.gz FREMXEXHBSDGOS-VCDBXAJLSA-N 2 1 396.575 3.842 20 0 GHADMP c1ccc(C2(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CCOCC2)cc1 ZINC001235364088 1040851437 /nfs/dbraw/zinc/85/14/37/1040851437.db2.gz KUTKANWNSLRLPS-RSXGOPAZSA-N 2 1 390.571 3.988 20 0 GHADMP O=C(NC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CCCC1 ZINC001255142992 1040854138 /nfs/dbraw/zinc/85/41/38/1040854138.db2.gz IAMIGEADFHMUQT-BKFWDETESA-N 2 1 395.591 3.953 20 0 GHADMP O=C([C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142869 1040855264 /nfs/dbraw/zinc/85/52/64/1040855264.db2.gz KGSPASQZPDALQN-LWSSLDFYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142869 1040855274 /nfs/dbraw/zinc/85/52/74/1040855274.db2.gz KGSPASQZPDALQN-LWSSLDFYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142869 1040855276 /nfs/dbraw/zinc/85/52/76/1040855276.db2.gz KGSPASQZPDALQN-LWSSLDFYSA-N 2 1 395.591 3.907 20 0 GHADMP O=C(C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCC1 ZINC001255145787 1040858376 /nfs/dbraw/zinc/85/83/76/1040858376.db2.gz UWKKFXUXQIOOKR-JKHIJQBDSA-N 2 1 381.564 3.516 20 0 GHADMP FC1(F)CN(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1 ZINC001255145563 1040858811 /nfs/dbraw/zinc/85/88/11/1040858811.db2.gz RBLMHDIWHYCXPX-WKCHPHFGSA-N 2 1 375.507 3.597 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235366165 1040860636 /nfs/dbraw/zinc/86/06/36/1040860636.db2.gz QGDXRYHLISEKKT-ZJSXRUAMSA-N 2 1 378.516 3.755 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1OCc1ccccc1 ZINC001235371259 1040872322 /nfs/dbraw/zinc/87/23/22/1040872322.db2.gz YIGVSMBDRYZPQG-CQOQZXRMSA-N 2 1 378.516 3.527 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150687 1040873234 /nfs/dbraw/zinc/87/32/34/1040873234.db2.gz OMIYOFNGFOLBQT-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150687 1040873250 /nfs/dbraw/zinc/87/32/50/1040873250.db2.gz OMIYOFNGFOLBQT-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150687 1040873258 /nfs/dbraw/zinc/87/32/58/1040873258.db2.gz OMIYOFNGFOLBQT-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150687 1040873271 /nfs/dbraw/zinc/87/32/71/1040873271.db2.gz OMIYOFNGFOLBQT-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001255151394 1040874375 /nfs/dbraw/zinc/87/43/75/1040874375.db2.gz YAVYWCKFTABLQL-CIAFKFPVSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001255151394 1040874389 /nfs/dbraw/zinc/87/43/89/1040874389.db2.gz YAVYWCKFTABLQL-CIAFKFPVSA-N 2 1 393.531 3.739 20 0 GHADMP Clc1ncnc2ccc(C[N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cc12 ZINC001235373944 1040881754 /nfs/dbraw/zinc/88/17/54/1040881754.db2.gz APNSGUVCVYXGBG-KNQAVFIVSA-N 2 1 378.907 3.862 20 0 GHADMP Clc1ncnc2ccc(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cc12 ZINC001235373944 1040881775 /nfs/dbraw/zinc/88/17/75/1040881775.db2.gz APNSGUVCVYXGBG-KNQAVFIVSA-N 2 1 378.907 3.862 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001255187265 1040893399 /nfs/dbraw/zinc/89/33/99/1040893399.db2.gz CCSVNMSLUXRPSP-WKPBDKHMSA-N 2 1 397.563 3.639 20 0 GHADMP Clc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235379371 1040900324 /nfs/dbraw/zinc/90/03/24/1040900324.db2.gz OXFSBVHLVMIRPN-KJXAQDMKSA-N 2 1 398.934 3.872 20 0 GHADMP Fc1ccccc1-c1ncc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cn1 ZINC001235380910 1040900570 /nfs/dbraw/zinc/90/05/70/1040900570.db2.gz RLPOFFXXPSPULE-QPPBQGQZSA-N 2 1 388.490 3.862 20 0 GHADMP Fc1ccccc1-c1ncc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cn1 ZINC001235380910 1040900578 /nfs/dbraw/zinc/90/05/78/1040900578.db2.gz RLPOFFXXPSPULE-QPPBQGQZSA-N 2 1 388.490 3.862 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235385837 1040905103 /nfs/dbraw/zinc/90/51/03/1040905103.db2.gz VHJAORLIPXEPFG-YZOHZZBOSA-N 2 1 390.527 3.626 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001235388448 1040906752 /nfs/dbraw/zinc/90/67/52/1040906752.db2.gz HMJUQRJEAVLUFR-SFTDATJTSA-N 2 1 385.552 3.711 20 0 GHADMP CCOc1cc(O)cc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398721 1040912126 /nfs/dbraw/zinc/91/21/26/1040912126.db2.gz TZOKOTMZBMFWQY-WUMKDDEVSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398721 1040912131 /nfs/dbraw/zinc/91/21/31/1040912131.db2.gz TZOKOTMZBMFWQY-WUMKDDEVSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001235398721 1040912133 /nfs/dbraw/zinc/91/21/33/1040912133.db2.gz TZOKOTMZBMFWQY-WUMKDDEVSA-N 2 1 395.547 3.918 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3cc(Br)cnc31)C2 ZINC001235404421 1040916473 /nfs/dbraw/zinc/91/64/73/1040916473.db2.gz MBXQDUOQFNNSBA-SJLPKXTDSA-N 2 1 378.289 3.521 20 0 GHADMP CN(C)c1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431203 1040932240 /nfs/dbraw/zinc/93/22/40/1040932240.db2.gz YNOQRMMKHTXZCT-CVEARBPZSA-N 2 1 380.374 3.727 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)CC2 ZINC001235484695 1040956940 /nfs/dbraw/zinc/95/69/40/1040956940.db2.gz RKYSZUQRWBBSQV-SFHVURJKSA-N 2 1 399.560 3.530 20 0 GHADMP CN(CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255380950 1040972137 /nfs/dbraw/zinc/97/21/37/1040972137.db2.gz NGIUEVJPNXXVBX-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+]1CCN(c2cccc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)c2)CC1 ZINC001255383967 1040973966 /nfs/dbraw/zinc/97/39/66/1040973966.db2.gz QKMODMVFBUZLJH-XMMPIXPASA-N 3 1 392.591 3.583 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC001255392615 1040980483 /nfs/dbraw/zinc/98/04/83/1040980483.db2.gz JVKSEKOTBMPJKX-QFIPXVFZSA-N 2 1 398.547 3.865 20 0 GHADMP O=C(C1CCC1)N1CCC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391938 1040980752 /nfs/dbraw/zinc/98/07/52/1040980752.db2.gz VXWHJBDKCOKXHV-HSZRJFAPSA-N 2 1 383.580 3.669 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401190 1040987623 /nfs/dbraw/zinc/98/76/23/1040987623.db2.gz ROTPEPDGLWUEKG-JWQCQUIFSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255401190 1040987627 /nfs/dbraw/zinc/98/76/27/1040987627.db2.gz ROTPEPDGLWUEKG-JWQCQUIFSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255401190 1040987635 /nfs/dbraw/zinc/98/76/35/1040987635.db2.gz ROTPEPDGLWUEKG-JWQCQUIFSA-N 3 1 399.623 3.864 20 0 GHADMP c1ccc(CC[NH+]2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255402123 1040988416 /nfs/dbraw/zinc/98/84/16/1040988416.db2.gz DWYWSRCPACCWIE-VWLOTQADSA-N 2 1 377.576 3.901 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255402686 1040989950 /nfs/dbraw/zinc/98/99/50/1040989950.db2.gz LUTPYGNUSNKWBX-QHCPKHFHSA-N 2 1 378.564 3.957 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255402686 1040989952 /nfs/dbraw/zinc/98/99/52/1040989952.db2.gz LUTPYGNUSNKWBX-QHCPKHFHSA-N 2 1 378.564 3.957 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255402686 1040989957 /nfs/dbraw/zinc/98/99/57/1040989957.db2.gz LUTPYGNUSNKWBX-QHCPKHFHSA-N 2 1 378.564 3.957 20 0 GHADMP COc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC001255408720 1040996508 /nfs/dbraw/zinc/99/65/08/1040996508.db2.gz BCVCZXLQAABFLI-OAQYLSRUSA-N 2 1 394.563 3.703 20 0 GHADMP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001255409727 1040997607 /nfs/dbraw/zinc/99/76/07/1040997607.db2.gz LLYZZJVRYJVRNP-OAQYLSRUSA-N 2 1 394.563 3.703 20 0 GHADMP Fc1cccnc1N(C1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410411 1041004972 /nfs/dbraw/zinc/00/49/72/1041004972.db2.gz WRSDRJOCSXTZNX-HXUWFJFHSA-N 2 1 382.527 3.834 20 0 GHADMP C[N@H+]1CC[C@@H](N2CCC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC001255437756 1041037411 /nfs/dbraw/zinc/03/74/11/1041037411.db2.gz GCVOPLMLLJHVRK-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP C[NH+]1CC[C@@H](N2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC001255437756 1041037447 /nfs/dbraw/zinc/03/74/47/1041037447.db2.gz GCVOPLMLLJHVRK-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP C[NH+]1CC[C@@H](N2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC001255437756 1041037475 /nfs/dbraw/zinc/03/74/75/1041037475.db2.gz GCVOPLMLLJHVRK-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255609266 1041164777 /nfs/dbraw/zinc/16/47/77/1041164777.db2.gz SHISNKSNQDQUJM-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255609266 1041164781 /nfs/dbraw/zinc/16/47/81/1041164781.db2.gz SHISNKSNQDQUJM-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255609266 1041164784 /nfs/dbraw/zinc/16/47/84/1041164784.db2.gz SHISNKSNQDQUJM-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255609266 1041164790 /nfs/dbraw/zinc/16/47/90/1041164790.db2.gz SHISNKSNQDQUJM-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](C2CCC4(CC2)OCCO4)CC3)c1 ZINC001255627746 1041179875 /nfs/dbraw/zinc/17/98/75/1041179875.db2.gz ZLFGIGKXRJHYDZ-UHFFFAOYSA-N 2 1 376.566 3.722 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710922 1041235042 /nfs/dbraw/zinc/23/50/42/1041235042.db2.gz BJVFFZWBVWKFRY-IYWMVGAKSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710922 1041235059 /nfs/dbraw/zinc/23/50/59/1041235059.db2.gz BJVFFZWBVWKFRY-IYWMVGAKSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710922 1041235074 /nfs/dbraw/zinc/23/50/74/1041235074.db2.gz BJVFFZWBVWKFRY-IYWMVGAKSA-N 2 1 397.485 3.725 20 0 GHADMP CC1(N2CC[NH+](Cc3cccc(Oc4ccc(F)cc4)c3)CC2)CC[NH2+]CC1 ZINC001235821791 1041339257 /nfs/dbraw/zinc/33/92/57/1041339257.db2.gz LODXIXTZACUUOT-UHFFFAOYSA-N 2 1 383.511 3.878 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001255962651 1041442851 /nfs/dbraw/zinc/44/28/51/1041442851.db2.gz YDRNMOICSVEDOC-PXNSSMCTSA-N 2 1 398.517 3.879 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001255962651 1041442858 /nfs/dbraw/zinc/44/28/58/1041442858.db2.gz YDRNMOICSVEDOC-PXNSSMCTSA-N 2 1 398.517 3.879 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001255961905 1041442906 /nfs/dbraw/zinc/44/29/06/1041442906.db2.gz YMPCGNKLBRQFSP-WIYYLYMNSA-N 2 1 377.598 3.797 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH2+]CC1 ZINC001235937815 1041444015 /nfs/dbraw/zinc/44/40/15/1041444015.db2.gz QZIJXCVJEXEBOH-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000723805272 1041471030 /nfs/dbraw/zinc/47/10/30/1041471030.db2.gz OOMWKOCEHPZJET-UYAOXDASSA-N 2 1 387.568 3.744 20 0 GHADMP CCOC(=O)N1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001256026027 1041482015 /nfs/dbraw/zinc/48/20/15/1041482015.db2.gz SDKUGLWEGXGRTK-FHWLQOOXSA-N 2 1 379.932 3.643 20 0 GHADMP c1c(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)onc1OCc1ccccc1 ZINC001235979361 1041484588 /nfs/dbraw/zinc/48/45/88/1041484588.db2.gz YNUJTULFSCLOMP-UHFFFAOYSA-N 2 1 389.499 3.891 20 0 GHADMP c1c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)onc1OCc1ccccc1 ZINC001235979361 1041484606 /nfs/dbraw/zinc/48/46/06/1041484606.db2.gz YNUJTULFSCLOMP-UHFFFAOYSA-N 2 1 389.499 3.891 20 0 GHADMP FC(F)(F)c1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)cc1 ZINC001256072089 1041506617 /nfs/dbraw/zinc/50/66/17/1041506617.db2.gz HXRQTTDCNHAOJI-UHFFFAOYSA-N 2 1 382.470 3.970 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)c(C)c2)CC1 ZINC001236067664 1041519305 /nfs/dbraw/zinc/51/93/05/1041519305.db2.gz UPXYUUBFPPWPEA-NRFANRHFSA-N 2 1 386.467 3.639 20 0 GHADMP COc1ccc([C@@H](C[N@H+](C)CC[C@H]2COC(C)(C)[NH2+]2)C2(O)CCCCC2)cc1 ZINC001236094139 1041529102 /nfs/dbraw/zinc/52/91/02/1041529102.db2.gz PCYYOPLMSQAVQW-PZJWPPBQSA-N 2 1 390.568 3.520 20 0 GHADMP COc1ccc([C@@H](C[N@@H+](C)CC[C@H]2COC(C)(C)[NH2+]2)C2(O)CCCCC2)cc1 ZINC001236094139 1041529115 /nfs/dbraw/zinc/52/91/15/1041529115.db2.gz PCYYOPLMSQAVQW-PZJWPPBQSA-N 2 1 390.568 3.520 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236099371 1041534473 /nfs/dbraw/zinc/53/44/73/1041534473.db2.gz XUEPKFGTMWWWGN-PKTZIBPZSA-N 2 1 378.516 3.644 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001236145876 1041570453 /nfs/dbraw/zinc/57/04/53/1041570453.db2.gz NYSQJOUZIWXRFK-QHCPKHFHSA-N 2 1 379.548 3.785 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001236145876 1041570469 /nfs/dbraw/zinc/57/04/69/1041570469.db2.gz NYSQJOUZIWXRFK-QHCPKHFHSA-N 2 1 379.548 3.785 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001236145876 1041570478 /nfs/dbraw/zinc/57/04/78/1041570478.db2.gz NYSQJOUZIWXRFK-QHCPKHFHSA-N 2 1 379.548 3.785 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)Cc3cccc(OC)c3)cc2)CC1 ZINC001256149766 1041589942 /nfs/dbraw/zinc/58/99/42/1041589942.db2.gz RCJXFBCVMDFTTD-HXUWFJFHSA-N 2 1 381.564 3.554 20 0 GHADMP COc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)c(OCc2ccccc2)cc1OC ZINC001236224819 1041631302 /nfs/dbraw/zinc/63/13/02/1041631302.db2.gz XFFCXTPGTPGASB-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP COc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)c(OCc2ccccc2)cc1OC ZINC001236224819 1041631309 /nfs/dbraw/zinc/63/13/09/1041631309.db2.gz XFFCXTPGTPGASB-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP COC(=O)c1ccc(OC)c(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)c1 ZINC001236227565 1041634286 /nfs/dbraw/zinc/63/42/86/1041634286.db2.gz HITJEQGOAOTNLD-UHFFFAOYSA-N 2 1 382.504 3.754 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236235904 1041637437 /nfs/dbraw/zinc/63/74/37/1041637437.db2.gz GHYJVXQJDYLODA-NNWRFLSQSA-N 2 1 399.579 3.571 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)c1 ZINC001236304594 1041666604 /nfs/dbraw/zinc/66/66/04/1041666604.db2.gz LNNJQHOSCOWZLC-NRFANRHFSA-N 2 1 379.548 3.560 20 0 GHADMP CCCOc1ccc(Br)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1F ZINC001236321684 1041670582 /nfs/dbraw/zinc/67/05/82/1041670582.db2.gz VOYBGAMEBOQCMA-OKILXGFUSA-N 2 1 385.321 3.808 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)ccc1-2 ZINC001236320147 1041670607 /nfs/dbraw/zinc/67/06/07/1041670607.db2.gz DJHTYBLTMMOHIQ-HDICACEKSA-N 2 1 384.520 3.905 20 0 GHADMP COc1ccc(CC[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1OC ZINC001236379670 1041689478 /nfs/dbraw/zinc/68/94/78/1041689478.db2.gz DZRMHYKXTKIYBD-UHFFFAOYSA-N 2 1 386.511 3.887 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2ccncc2Br)CC2CC[NH2+]CC2)cc1 ZINC001236383634 1041691444 /nfs/dbraw/zinc/69/14/44/1041691444.db2.gz VGSWHDFOWAQEHF-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccncc2Br)CC2CC[NH2+]CC2)cc1 ZINC001236383634 1041691448 /nfs/dbraw/zinc/69/14/48/1041691448.db2.gz VGSWHDFOWAQEHF-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c1 ZINC001236384761 1041692664 /nfs/dbraw/zinc/69/26/64/1041692664.db2.gz BDJCYYLQOXFGIE-UHFFFAOYSA-N 2 1 384.495 3.543 20 0 GHADMP CCCCc1ccc(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)cc1 ZINC001236387741 1041693687 /nfs/dbraw/zinc/69/36/87/1041693687.db2.gz OAMNSNRLGLBBES-UHFFFAOYSA-N 2 1 387.612 3.553 20 0 GHADMP Fc1cccc(CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]C2)c1 ZINC001236395415 1041699109 /nfs/dbraw/zinc/69/91/09/1041699109.db2.gz RYQNGKBPYUKMTC-VWNXMTODSA-N 2 1 381.539 3.902 20 0 GHADMP C[C@@H](C[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)c1cccc2ccccc21 ZINC001236397711 1041700969 /nfs/dbraw/zinc/70/09/69/1041700969.db2.gz AKCQJLRSJSNGAJ-NRFANRHFSA-N 2 1 395.591 3.577 20 0 GHADMP CC[N@@H+](Cc1cc(Br)c(Br)s1)C[C@H]1CC[NH2+]C1 ZINC001236407281 1041703303 /nfs/dbraw/zinc/70/33/03/1041703303.db2.gz CQXPRBLDRHAVJS-VIFPVBQESA-N 2 1 382.165 3.705 20 0 GHADMP CC[N@H+](Cc1cc(Br)c(Br)s1)C[C@H]1CC[NH2+]C1 ZINC001236407281 1041703309 /nfs/dbraw/zinc/70/33/09/1041703309.db2.gz CQXPRBLDRHAVJS-VIFPVBQESA-N 2 1 382.165 3.705 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236405554 1041703835 /nfs/dbraw/zinc/70/38/35/1041703835.db2.gz ZRLMLJUTVGIESP-UHFFFAOYSA-N 3 1 385.527 3.520 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236405554 1041703842 /nfs/dbraw/zinc/70/38/42/1041703842.db2.gz ZRLMLJUTVGIESP-UHFFFAOYSA-N 3 1 385.527 3.520 20 0 GHADMP COc1ccc(C[N@H+](Cc2cc(OC)c(OC)cc2C)C2CC[NH2+]CC2)cc1 ZINC001236441332 1041712858 /nfs/dbraw/zinc/71/28/58/1041712858.db2.gz DFWPPTHDTQDNFZ-UHFFFAOYSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc(OC)c(OC)cc2C)C2CC[NH2+]CC2)cc1 ZINC001236441332 1041712867 /nfs/dbraw/zinc/71/28/67/1041712867.db2.gz DFWPPTHDTQDNFZ-UHFFFAOYSA-N 2 1 384.520 3.775 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001256406299 1041721233 /nfs/dbraw/zinc/72/12/33/1041721233.db2.gz GNWMLRHICHUSNJ-XJABCFGWSA-N 2 1 381.520 3.571 20 0 GHADMP CC(C)(C)C[N@H+](Cc1[nH]nc2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC001236458216 1041721506 /nfs/dbraw/zinc/72/15/06/1041721506.db2.gz SYZIXSIQJUTIBW-UHFFFAOYSA-N 2 1 379.346 3.926 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1[nH]nc2ccc(Br)cc21)C1CC[NH2+]CC1 ZINC001236458216 1041721512 /nfs/dbraw/zinc/72/15/12/1041721512.db2.gz SYZIXSIQJUTIBW-UHFFFAOYSA-N 2 1 379.346 3.926 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCCc2ccc(F)cc2)C2CC[NH2+]CC2)c1 ZINC001236465209 1041727185 /nfs/dbraw/zinc/72/71/85/1041727185.db2.gz PXOQXUZFWJFGIO-UHFFFAOYSA-N 2 1 384.495 3.799 20 0 GHADMP CCOc1ccc(C)c(C[N@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c1 ZINC001236466126 1041728603 /nfs/dbraw/zinc/72/86/03/1041728603.db2.gz DSQHUPYFWBHEBD-UHFFFAOYSA-N 2 1 396.531 3.935 20 0 GHADMP CCOc1ccc(C)c(C[N@@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c1 ZINC001236466126 1041728608 /nfs/dbraw/zinc/72/86/08/1041728608.db2.gz DSQHUPYFWBHEBD-UHFFFAOYSA-N 2 1 396.531 3.935 20 0 GHADMP Cc1cc(F)cc(C[N@@H+](Cc2cc(=O)n(C)c3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236482357 1041734570 /nfs/dbraw/zinc/73/45/70/1041734570.db2.gz GHYLFYVCXKJUHV-UHFFFAOYSA-N 2 1 393.506 3.740 20 0 GHADMP Cc1cc(F)cc(C[N@H+](Cc2cc(=O)n(C)c3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236482357 1041734572 /nfs/dbraw/zinc/73/45/72/1041734572.db2.gz GHYLFYVCXKJUHV-UHFFFAOYSA-N 2 1 393.506 3.740 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001256472477 1041750388 /nfs/dbraw/zinc/75/03/88/1041750388.db2.gz CXIMAFZEDBFBSM-SJLPKXTDSA-N 2 1 388.556 3.717 20 0 GHADMP CC[C@@H](CCC(=O)OC)C[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542242 1041756354 /nfs/dbraw/zinc/75/63/54/1041756354.db2.gz BGIPIKDRCBHCDW-IHPCNDPISA-N 2 1 376.541 3.747 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544492 1041757542 /nfs/dbraw/zinc/75/75/42/1041757542.db2.gz PWRAATMQMJWPOF-WGSAOQKQSA-N 2 1 398.503 3.705 20 0 GHADMP COc1cc(Br)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236552519 1041759661 /nfs/dbraw/zinc/75/96/61/1041759661.db2.gz RIXOTZZZDAVWNA-SHTZXODSSA-N 2 1 397.357 3.948 20 0 GHADMP COc1ccc(Br)c(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236572186 1041766896 /nfs/dbraw/zinc/76/68/96/1041766896.db2.gz TYFOKDIXIOTWEK-CTYIDZIISA-N 2 1 382.346 3.867 20 0 GHADMP Cc1cccc(C[NH+]2CCC(N3CCC([NH3+])CC3)CC2)c1OCc1ccccc1 ZINC001236582139 1041767753 /nfs/dbraw/zinc/76/77/53/1041767753.db2.gz DELVVTRWWLKPON-UHFFFAOYSA-N 2 1 393.575 3.962 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c(Br)c1 ZINC001236622398 1041788742 /nfs/dbraw/zinc/78/87/42/1041788742.db2.gz MXYXQUDWFSGUTC-SFHVURJKSA-N 2 1 380.374 3.570 20 0 GHADMP CC(C)c1ccc(CN2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)c(Br)c1 ZINC001236622398 1041788748 /nfs/dbraw/zinc/78/87/48/1041788748.db2.gz MXYXQUDWFSGUTC-SFHVURJKSA-N 2 1 380.374 3.570 20 0 GHADMP Fc1ccc(I)cc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637634 1041797630 /nfs/dbraw/zinc/79/76/30/1041797630.db2.gz RYAZORWVDBEMDH-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP Fc1ccc(I)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637634 1041797637 /nfs/dbraw/zinc/79/76/37/1041797637.db2.gz RYAZORWVDBEMDH-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236711205 1041848329 /nfs/dbraw/zinc/84/83/29/1041848329.db2.gz NVHDUWOBVJACKG-HZCBDIJESA-N 2 1 396.531 3.683 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236759630 1041876239 /nfs/dbraw/zinc/87/62/39/1041876239.db2.gz YLBWATWOWWAMID-XUTJKUGGSA-N 2 1 393.597 3.710 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001236775637 1041885714 /nfs/dbraw/zinc/88/57/14/1041885714.db2.gz BOVZBNLMXCSQGB-UHFFFAOYSA-N 2 1 386.467 3.693 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)c(Br)s1 ZINC001237081525 1042027921 /nfs/dbraw/zinc/02/79/21/1042027921.db2.gz JPTJRMDPGXFVDY-PBINXNQUSA-N 2 1 394.176 3.975 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)c(Br)s1 ZINC001237081525 1042027923 /nfs/dbraw/zinc/02/79/23/1042027923.db2.gz JPTJRMDPGXFVDY-PBINXNQUSA-N 2 1 394.176 3.975 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2[nH]nc3c2cccc3Br)CC1 ZINC001237305043 1042135155 /nfs/dbraw/zinc/13/51/55/1042135155.db2.gz OQSAXMYAUJHWJK-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)s1 ZINC001237392614 1042186288 /nfs/dbraw/zinc/18/62/88/1042186288.db2.gz OVBLGBQJUNXNGH-CRAIPNDOSA-N 2 1 377.941 3.949 20 0 GHADMP Clc1ncc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)s1 ZINC001237392614 1042186293 /nfs/dbraw/zinc/18/62/93/1042186293.db2.gz OVBLGBQJUNXNGH-CRAIPNDOSA-N 2 1 377.941 3.949 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(C)c(Br)c2)CC1 ZINC001237552839 1042261492 /nfs/dbraw/zinc/26/14/92/1042261492.db2.gz RCJCRSMUFLUMSH-UHFFFAOYSA-N 2 1 375.314 3.595 20 0 GHADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237735295 1042346375 /nfs/dbraw/zinc/34/63/75/1042346375.db2.gz ZXHGQBLLBVVJNV-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1c(Cl)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237735295 1042346381 /nfs/dbraw/zinc/34/63/81/1042346381.db2.gz ZXHGQBLLBVVJNV-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1c(Cl)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237735295 1042346387 /nfs/dbraw/zinc/34/63/87/1042346387.db2.gz ZXHGQBLLBVVJNV-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCCCC4)C3)cc21 ZINC001237880920 1042407240 /nfs/dbraw/zinc/40/72/40/1042407240.db2.gz LMJHWIGWDDOGOR-OAQYLSRUSA-N 2 1 381.564 3.912 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](N4Cc5ccccc5C4=O)C3)cc21 ZINC001237890436 1042411899 /nfs/dbraw/zinc/41/18/99/1042411899.db2.gz WBAOSDDJYVRPGG-NRFANRHFSA-N 2 1 387.527 3.918 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4OC)ccc3OC)C[C@@H]2C1 ZINC001238650591 1042669776 /nfs/dbraw/zinc/66/97/76/1042669776.db2.gz VWSPFOMVCUGXCI-KDURUIRLSA-N 2 1 384.495 3.893 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4OC)ccc3OC)C[C@@H]2C1 ZINC001238650591 1042669780 /nfs/dbraw/zinc/66/97/80/1042669780.db2.gz VWSPFOMVCUGXCI-KDURUIRLSA-N 2 1 384.495 3.893 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4OC)ccc3OC)C[C@@H]2C1 ZINC001238650591 1042669783 /nfs/dbraw/zinc/66/97/83/1042669783.db2.gz VWSPFOMVCUGXCI-KDURUIRLSA-N 2 1 384.495 3.893 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc(-c4ccc(F)cc4OC)ccc3OC)C[C@@H]2C1 ZINC001238650591 1042669784 /nfs/dbraw/zinc/66/97/84/1042669784.db2.gz VWSPFOMVCUGXCI-KDURUIRLSA-N 2 1 384.495 3.893 20 0 GHADMP CCOc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001238706910 1042694504 /nfs/dbraw/zinc/69/45/04/1042694504.db2.gz KQELZCHJGZOTKI-GPXNEJASSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001238706910 1042694508 /nfs/dbraw/zinc/69/45/08/1042694508.db2.gz KQELZCHJGZOTKI-GPXNEJASSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001238706910 1042694510 /nfs/dbraw/zinc/69/45/10/1042694510.db2.gz KQELZCHJGZOTKI-GPXNEJASSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001238706910 1042694516 /nfs/dbraw/zinc/69/45/16/1042694516.db2.gz KQELZCHJGZOTKI-GPXNEJASSA-N 2 1 396.579 3.964 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(CC[NH+]3CCOCC3)c2)nc1 ZINC001240260996 1042913422 /nfs/dbraw/zinc/91/34/22/1042913422.db2.gz PALZQIYUMHACBN-FQEVSTJZSA-N 2 1 379.548 3.998 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(CC[NH+]3CCOCC3)c2)nc1 ZINC001240260996 1042913426 /nfs/dbraw/zinc/91/34/26/1042913426.db2.gz PALZQIYUMHACBN-FQEVSTJZSA-N 2 1 379.548 3.998 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(CC[NH+]3CCOCC3)c2)nc1 ZINC001240260998 1042913468 /nfs/dbraw/zinc/91/34/68/1042913468.db2.gz PALZQIYUMHACBN-HXUWFJFHSA-N 2 1 379.548 3.998 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(CC[NH+]3CCOCC3)c2)nc1 ZINC001240260998 1042913471 /nfs/dbraw/zinc/91/34/71/1042913471.db2.gz PALZQIYUMHACBN-HXUWFJFHSA-N 2 1 379.548 3.998 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3cccc(CN4CC[NH+](C)CC4)c3)c(C)c2)CC1 ZINC001240287644 1042918636 /nfs/dbraw/zinc/91/86/36/1042918636.db2.gz QRVXJLZWWBVTQI-UHFFFAOYSA-N 2 1 390.575 3.913 20 0 GHADMP CC[N@H+]1CC=C(c2cnc(-c3cccc(C[NH+]4CCN(C)CC4)c3)c(C)c2)CC1 ZINC001240287644 1042918640 /nfs/dbraw/zinc/91/86/40/1042918640.db2.gz QRVXJLZWWBVTQI-UHFFFAOYSA-N 2 1 390.575 3.913 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3cccc(C[NH+]4CCN(C)CC4)c3)c(C)c2)CC1 ZINC001240287644 1042918645 /nfs/dbraw/zinc/91/86/45/1042918645.db2.gz QRVXJLZWWBVTQI-UHFFFAOYSA-N 2 1 390.575 3.913 20 0 GHADMP [NH3+][C@H]1CC[C@H](NC(=O)c2ccc(C3=CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001240388619 1042924942 /nfs/dbraw/zinc/92/49/42/1042924942.db2.gz IFFCCROTQKZVNR-RQNOJGIXSA-N 2 1 389.543 3.976 20 0 GHADMP C[NH+]1CCN(Cc2ccc(-c3ccc(CO[C@@H]4CCCC[C@H]4[NH3+])cc3)cc2)CC1 ZINC001240408623 1042927082 /nfs/dbraw/zinc/92/70/82/1042927082.db2.gz NIBRZHMFUFTAAS-JWQCQUIFSA-N 2 1 393.575 3.888 20 0 GHADMP c1cc(C2([NH+]3CCOCC3)CC2)ccc1-c1ccc(OCC[NH+]2CCCC2)nc1 ZINC001240866390 1042960653 /nfs/dbraw/zinc/96/06/53/1042960653.db2.gz IOLYWGUVVVPZEG-UHFFFAOYSA-N 2 1 393.531 3.545 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001291562801 1043344064 /nfs/dbraw/zinc/34/40/64/1043344064.db2.gz JARNQPNPFUVGNT-PMACEKPBSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256522868 1043448006 /nfs/dbraw/zinc/44/80/06/1043448006.db2.gz MCQLRWAUVLCTJE-XBJCXQGOSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256522868 1043448013 /nfs/dbraw/zinc/44/80/13/1043448013.db2.gz MCQLRWAUVLCTJE-XBJCXQGOSA-N 2 1 399.579 3.885 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001256527956 1043456504 /nfs/dbraw/zinc/45/65/04/1043456504.db2.gz BRQQUCOUPWTDHU-UEVCKROQSA-N 2 1 380.532 3.976 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001256527956 1043456551 /nfs/dbraw/zinc/45/65/51/1043456551.db2.gz BRQQUCOUPWTDHU-UEVCKROQSA-N 2 1 380.532 3.976 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256529956 1043461590 /nfs/dbraw/zinc/46/15/90/1043461590.db2.gz ZGYHDVBQWGJCJC-SFLYRZDNSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256529956 1043461603 /nfs/dbraw/zinc/46/16/03/1043461603.db2.gz ZGYHDVBQWGJCJC-SFLYRZDNSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256529776 1043462084 /nfs/dbraw/zinc/46/20/84/1043462084.db2.gz FDVOSMFZBYKSPC-MJGOQNOKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256529776 1043462091 /nfs/dbraw/zinc/46/20/91/1043462091.db2.gz FDVOSMFZBYKSPC-MJGOQNOKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530734 1043464400 /nfs/dbraw/zinc/46/44/00/1043464400.db2.gz DUZICLJXGXGFBR-BWKNWUBXSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530734 1043464413 /nfs/dbraw/zinc/46/44/13/1043464413.db2.gz DUZICLJXGXGFBR-BWKNWUBXSA-N 3 1 392.591 3.936 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC001291819439 1043484026 /nfs/dbraw/zinc/48/40/26/1043484026.db2.gz IYDPBCFYBYCHFY-FQEVSTJZSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541158 1043490928 /nfs/dbraw/zinc/49/09/28/1043490928.db2.gz KYZDZWIZFDRAGP-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256541158 1043490934 /nfs/dbraw/zinc/49/09/34/1043490934.db2.gz KYZDZWIZFDRAGP-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256541158 1043490939 /nfs/dbraw/zinc/49/09/39/1043490939.db2.gz KYZDZWIZFDRAGP-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256541158 1043490949 /nfs/dbraw/zinc/49/09/49/1043490949.db2.gz KYZDZWIZFDRAGP-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256545050 1043502996 /nfs/dbraw/zinc/50/29/96/1043502996.db2.gz BIMFUMUIGNZJBP-CKPWDMNVSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256545050 1043503011 /nfs/dbraw/zinc/50/30/11/1043503011.db2.gz BIMFUMUIGNZJBP-CKPWDMNVSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256545050 1043503031 /nfs/dbraw/zinc/50/30/31/1043503031.db2.gz BIMFUMUIGNZJBP-CKPWDMNVSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256545050 1043503050 /nfs/dbraw/zinc/50/30/50/1043503050.db2.gz BIMFUMUIGNZJBP-CKPWDMNVSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[N@@H+]1Cc1ccccc1 ZINC001256545488 1043504794 /nfs/dbraw/zinc/50/47/94/1043504794.db2.gz FMMREXJMCAUTFJ-LJFZDNNRSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[N@H+]1Cc1ccccc1 ZINC001256545488 1043504817 /nfs/dbraw/zinc/50/48/17/1043504817.db2.gz FMMREXJMCAUTFJ-LJFZDNNRSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[NH+]1Cc1ccccc1 ZINC001256545488 1043504837 /nfs/dbraw/zinc/50/48/37/1043504837.db2.gz FMMREXJMCAUTFJ-LJFZDNNRSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[NH+]1Cc1ccccc1 ZINC001256545488 1043504857 /nfs/dbraw/zinc/50/48/57/1043504857.db2.gz FMMREXJMCAUTFJ-LJFZDNNRSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548594 1043511006 /nfs/dbraw/zinc/51/10/06/1043511006.db2.gz BLSVGBIULVUZDS-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548594 1043511014 /nfs/dbraw/zinc/51/10/14/1043511014.db2.gz BLSVGBIULVUZDS-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548594 1043511028 /nfs/dbraw/zinc/51/10/28/1043511028.db2.gz BLSVGBIULVUZDS-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548594 1043511039 /nfs/dbraw/zinc/51/10/39/1043511039.db2.gz BLSVGBIULVUZDS-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548846 1043512505 /nfs/dbraw/zinc/51/25/05/1043512505.db2.gz ZAHXCLASKZXYCE-KHHDVDEJSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256548846 1043512508 /nfs/dbraw/zinc/51/25/08/1043512508.db2.gz ZAHXCLASKZXYCE-KHHDVDEJSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548846 1043512522 /nfs/dbraw/zinc/51/25/22/1043512522.db2.gz ZAHXCLASKZXYCE-KHHDVDEJSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548846 1043512535 /nfs/dbraw/zinc/51/25/35/1043512535.db2.gz ZAHXCLASKZXYCE-KHHDVDEJSA-N 2 1 395.572 3.696 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256551838 1043515742 /nfs/dbraw/zinc/51/57/42/1043515742.db2.gz VVHAOFHJXQDHSZ-XUZZJYLKSA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256551838 1043515750 /nfs/dbraw/zinc/51/57/50/1043515750.db2.gz VVHAOFHJXQDHSZ-XUZZJYLKSA-N 2 1 393.575 3.866 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](C1CC[NH+](C(C)(C)C)CC1)C2 ZINC001256569846 1043543006 /nfs/dbraw/zinc/54/30/06/1043543006.db2.gz QLIGPOAQCMYQPT-JOCHJYFZSA-N 2 1 379.589 3.972 20 0 GHADMP COc1ccccc1CC1([NH3+])CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256602475 1043565568 /nfs/dbraw/zinc/56/55/68/1043565568.db2.gz XANWAZKUHUNJFU-UHFFFAOYSA-N 2 1 393.575 3.696 20 0 GHADMP Fc1cccnc1C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC001256602114 1043565629 /nfs/dbraw/zinc/56/56/29/1043565629.db2.gz QDWXIYNBGFJFFJ-UHFFFAOYSA-N 2 1 383.511 3.523 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC001256612954 1043577939 /nfs/dbraw/zinc/57/79/39/1043577939.db2.gz SVNGXFNVRYKVIP-ILWGZMRPSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256612954 1043577948 /nfs/dbraw/zinc/57/79/48/1043577948.db2.gz SVNGXFNVRYKVIP-ILWGZMRPSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001256612954 1043577955 /nfs/dbraw/zinc/57/79/55/1043577955.db2.gz SVNGXFNVRYKVIP-ILWGZMRPSA-N 2 1 399.579 3.886 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cccc(SC(F)(F)F)c1)C2 ZINC001278955130 1043602874 /nfs/dbraw/zinc/60/28/74/1043602874.db2.gz IMCPEAFZBYWCGE-UHFFFAOYSA-N 2 1 387.515 3.758 20 0 GHADMP Cc1csc([C@H]2C[C@@H]3CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@H]3O2)n1 ZINC001256859904 1043705915 /nfs/dbraw/zinc/70/59/15/1043705915.db2.gz SSIMALXJTGLJTF-PWIZWCRZSA-N 2 1 384.549 3.667 20 0 GHADMP CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256903949 1043730839 /nfs/dbraw/zinc/73/08/39/1043730839.db2.gz GWGDGZWIAZYTFC-SLSDLSHTSA-N 2 1 397.607 3.809 20 0 GHADMP CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256903949 1043730846 /nfs/dbraw/zinc/73/08/46/1043730846.db2.gz GWGDGZWIAZYTFC-SLSDLSHTSA-N 2 1 397.607 3.809 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256906384 1043733492 /nfs/dbraw/zinc/73/34/92/1043733492.db2.gz AXPBTJVFYMSROC-NRFANRHFSA-N 2 1 387.543 3.675 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256906384 1043733503 /nfs/dbraw/zinc/73/35/03/1043733503.db2.gz AXPBTJVFYMSROC-NRFANRHFSA-N 2 1 387.543 3.675 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1)c1cccc(F)c1 ZINC001256904207 1043733792 /nfs/dbraw/zinc/73/37/92/1043733792.db2.gz FHSXMBRSDKITLC-NJDAHSKKSA-N 2 1 387.543 3.863 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1)c1cccc(F)c1 ZINC001256904207 1043733796 /nfs/dbraw/zinc/73/37/96/1043733796.db2.gz FHSXMBRSDKITLC-NJDAHSKKSA-N 2 1 387.543 3.863 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001257067551 1043827808 /nfs/dbraw/zinc/82/78/08/1043827808.db2.gz FRZLYADOGDJENG-YLJYHZDGSA-N 2 1 378.944 3.968 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001257067551 1043827824 /nfs/dbraw/zinc/82/78/24/1043827824.db2.gz FRZLYADOGDJENG-YLJYHZDGSA-N 2 1 378.944 3.968 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257153248 1043901553 /nfs/dbraw/zinc/90/15/53/1043901553.db2.gz DNIPKJXYFGNSAV-DUXKGJEZSA-N 2 1 388.552 3.545 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001257215439 1043939987 /nfs/dbraw/zinc/93/99/87/1043939987.db2.gz CLXNLFCPJIQKQN-OAQYLSRUSA-N 2 1 375.582 3.549 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001257215439 1043939991 /nfs/dbraw/zinc/93/99/91/1043939991.db2.gz CLXNLFCPJIQKQN-OAQYLSRUSA-N 2 1 375.582 3.549 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)CC1 ZINC001257215674 1043940426 /nfs/dbraw/zinc/94/04/26/1043940426.db2.gz GYUGZKHRBPIQOM-UHFFFAOYSA-N 2 1 387.543 3.656 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001292967023 1043968038 /nfs/dbraw/zinc/96/80/38/1043968038.db2.gz WFAWGSPWCCUVJO-OAQYLSRUSA-N 2 1 385.939 3.682 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001292967023 1043968062 /nfs/dbraw/zinc/96/80/62/1043968062.db2.gz WFAWGSPWCCUVJO-OAQYLSRUSA-N 2 1 385.939 3.682 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001257479883 1044011029 /nfs/dbraw/zinc/01/10/29/1044011029.db2.gz RSSFPOFSXAQZRC-NPDDRXJXSA-N 2 1 377.617 3.998 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257646295 1044097892 /nfs/dbraw/zinc/09/78/92/1044097892.db2.gz IARZOAIBHLXRLE-BJLQDIEVSA-N 2 1 375.557 3.871 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001293580814 1044250571 /nfs/dbraw/zinc/25/05/71/1044250571.db2.gz YQJSHOACHIHUGZ-DNVJHFABSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001293648406 1044276746 /nfs/dbraw/zinc/27/67/46/1044276746.db2.gz IPQMMZRYUYIBSL-CEMLEFRQSA-N 2 1 387.612 3.873 20 0 GHADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257971989 1044292830 /nfs/dbraw/zinc/29/28/30/1044292830.db2.gz FKHHHOXBLBKITC-UXHICEINSA-N 2 1 398.551 3.876 20 0 GHADMP c1cnn(Cc2cnc3n2CC[N@@H+](C2CCC(c4ccccc4)CC2)CC3)c1 ZINC001257997436 1044324044 /nfs/dbraw/zinc/32/40/44/1044324044.db2.gz CVTFXIDUUSEYMJ-UHFFFAOYSA-N 2 1 375.520 3.712 20 0 GHADMP Cc1nc(NC(=O)OC(C)(C)C)ccc1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001258003034 1044331016 /nfs/dbraw/zinc/33/10/16/1044331016.db2.gz VQAXQTVACHDAKM-UHFFFAOYSA-N 2 1 376.545 3.947 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC1 ZINC001258012242 1044338902 /nfs/dbraw/zinc/33/89/02/1044338902.db2.gz QUULSFLMJMNYQH-RUZDIDTESA-N 2 1 397.607 3.664 20 0 GHADMP CC(C)(C)C(=O)N1CCC(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258135944 1044420916 /nfs/dbraw/zinc/42/09/16/1044420916.db2.gz VHHJZJLJERJINK-UHFFFAOYSA-N 2 1 399.623 3.958 20 0 GHADMP O=C1CCC2(CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)N1CC1CC1 ZINC001258143883 1044431115 /nfs/dbraw/zinc/43/11/15/1044431115.db2.gz OVXJTACXNIEFDZ-UHFFFAOYSA-N 2 1 395.591 3.561 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H](C)CCSC)CC3)C2)c1 ZINC001258216560 1044474521 /nfs/dbraw/zinc/47/45/21/1044474521.db2.gz HLBIQMHRGQCLQQ-SFHVURJKSA-N 2 1 378.582 3.504 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@@H](C)CCSC)CC3)C2)c1 ZINC001258216560 1044474527 /nfs/dbraw/zinc/47/45/27/1044474527.db2.gz HLBIQMHRGQCLQQ-SFHVURJKSA-N 2 1 378.582 3.504 20 0 GHADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001258337746 1044512326 /nfs/dbraw/zinc/51/23/26/1044512326.db2.gz MIYFYFAVOSPFNO-OYNPSCLESA-N 2 1 398.657 3.887 20 0 GHADMP COc1ccc(CC[C@H](C)[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001258401370 1044537152 /nfs/dbraw/zinc/53/71/52/1044537152.db2.gz LYJPPDQBMJOYSR-BPUDTRNYSA-N 2 1 386.580 3.697 20 0 GHADMP COc1ccc(CC[C@H](C)[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001258401370 1044537170 /nfs/dbraw/zinc/53/71/70/1044537170.db2.gz LYJPPDQBMJOYSR-BPUDTRNYSA-N 2 1 386.580 3.697 20 0 GHADMP COc1ccc(CC[C@H](C)[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001258401370 1044537186 /nfs/dbraw/zinc/53/71/86/1044537186.db2.gz LYJPPDQBMJOYSR-BPUDTRNYSA-N 2 1 386.580 3.697 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001258401389 1044537390 /nfs/dbraw/zinc/53/73/90/1044537390.db2.gz MGDGYJZDYAUYBE-HXUWFJFHSA-N 2 1 396.579 3.880 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001258401389 1044537405 /nfs/dbraw/zinc/53/74/05/1044537405.db2.gz MGDGYJZDYAUYBE-HXUWFJFHSA-N 2 1 396.579 3.880 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@@H]1CCC(C)(C)C1)CC2 ZINC001258602986 1044666217 /nfs/dbraw/zinc/66/62/17/1044666217.db2.gz FLTDFTUDUWDBFD-RTWAWAEBSA-N 2 1 378.601 3.795 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC001258823923 1044776691 /nfs/dbraw/zinc/77/66/91/1044776691.db2.gz ORHDJOMXXIQGFP-ICSRJNTNSA-N 2 1 383.580 3.816 20 0 GHADMP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294743542 1044779797 /nfs/dbraw/zinc/77/97/97/1044779797.db2.gz BSWLGVIOZLKUPZ-OALUTQOASA-N 2 1 390.620 3.587 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001258865148 1044805137 /nfs/dbraw/zinc/80/51/37/1044805137.db2.gz MGBMRPZKAZIYDX-BHIYHBOVSA-N 2 1 378.557 3.871 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(OC)c1OC ZINC001258872115 1044813433 /nfs/dbraw/zinc/81/34/33/1044813433.db2.gz NYSQGFDDJJUAAW-UYAOXDASSA-N 2 1 390.568 3.984 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(OC)c1OC ZINC001258872114 1044815169 /nfs/dbraw/zinc/81/51/69/1044815169.db2.gz NYSQGFDDJJUAAW-QUCCMNQESA-N 2 1 390.568 3.984 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258910210 1044863557 /nfs/dbraw/zinc/86/35/57/1044863557.db2.gz OILBYDRNKINMMO-LJQANCHMSA-N 2 1 397.604 3.599 20 0 GHADMP CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)(c2ccccc2)CC1 ZINC001295337621 1044983994 /nfs/dbraw/zinc/98/39/94/1044983994.db2.gz CGNLEZWZAJHHLW-NRFANRHFSA-N 2 1 385.596 3.524 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001298317930 1045772240 /nfs/dbraw/zinc/77/22/40/1045772240.db2.gz FQYKVYODATUGCK-NZQKXSOJSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)c1 ZINC001298317930 1045772245 /nfs/dbraw/zinc/77/22/45/1045772245.db2.gz FQYKVYODATUGCK-NZQKXSOJSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)c1 ZINC001298317930 1045772250 /nfs/dbraw/zinc/77/22/50/1045772250.db2.gz FQYKVYODATUGCK-NZQKXSOJSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1nc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)sc1C(C)(C)C ZINC001262259890 1046224641 /nfs/dbraw/zinc/22/46/41/1046224641.db2.gz YBBXWNJOWHCZFA-UHFFFAOYSA-N 2 1 378.630 3.599 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)cc1 ZINC001263094616 1046557745 /nfs/dbraw/zinc/55/77/45/1046557745.db2.gz MPURCHNNNGXIFE-INIZCTEOSA-N 2 1 382.508 3.768 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC(C)(C)[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC001301494073 1046567142 /nfs/dbraw/zinc/56/71/42/1046567142.db2.gz KMTXSNIWLLMPMT-UHFFFAOYSA-N 2 1 383.536 3.856 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC(C)(C)[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC001301494073 1046567157 /nfs/dbraw/zinc/56/71/57/1046567157.db2.gz KMTXSNIWLLMPMT-UHFFFAOYSA-N 2 1 383.536 3.856 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001302479823 1046951147 /nfs/dbraw/zinc/95/11/47/1046951147.db2.gz YFRFVXHOYJVXIP-XZOQPEGZSA-N 2 1 383.580 3.622 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC001304351594 1047656120 /nfs/dbraw/zinc/65/61/20/1047656120.db2.gz DCKABOLPHZGQIN-CJRSTVEYSA-N 2 1 391.559 3.501 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001304351594 1047656125 /nfs/dbraw/zinc/65/61/25/1047656125.db2.gz DCKABOLPHZGQIN-CJRSTVEYSA-N 2 1 391.559 3.501 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001304351594 1047656130 /nfs/dbraw/zinc/65/61/30/1047656130.db2.gz DCKABOLPHZGQIN-CJRSTVEYSA-N 2 1 391.559 3.501 20 0 GHADMP COc1c(Br)ccc(F)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279117610 1047725122 /nfs/dbraw/zinc/72/51/22/1047725122.db2.gz LKYTWSONWZBXQY-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C)c(Cl)c3)CC2)C1 ZINC001279254156 1047749985 /nfs/dbraw/zinc/74/99/85/1047749985.db2.gz MQDXNMKEADWFJN-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(C)c(Cl)c3)CC2)C1 ZINC001279254156 1047749990 /nfs/dbraw/zinc/74/99/90/1047749990.db2.gz MQDXNMKEADWFJN-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP Clc1cncc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279389889 1047790348 /nfs/dbraw/zinc/79/03/48/1047790348.db2.gz JHFPXSGAGYLDTL-UHFFFAOYSA-N 2 1 380.323 3.600 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001279447543 1047811675 /nfs/dbraw/zinc/81/16/75/1047811675.db2.gz BAKLTXLLJNLTIF-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001279447543 1047811680 /nfs/dbraw/zinc/81/16/80/1047811680.db2.gz BAKLTXLLJNLTIF-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCc3cccc(Br)c3)(C1)CCC2 ZINC001279624214 1047873802 /nfs/dbraw/zinc/87/38/02/1047873802.db2.gz QCZWFNNITLVAEQ-UXHICEINSA-N 2 1 394.401 3.578 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001279686991 1047915668 /nfs/dbraw/zinc/91/56/68/1047915668.db2.gz BBXGZTBWPQIBJU-TXEJJXNPSA-N 2 1 397.894 3.988 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001279686991 1047915675 /nfs/dbraw/zinc/91/56/75/1047915675.db2.gz BBXGZTBWPQIBJU-TXEJJXNPSA-N 2 1 397.894 3.988 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)s1 ZINC001279686991 1047915676 /nfs/dbraw/zinc/91/56/76/1047915676.db2.gz BBXGZTBWPQIBJU-TXEJJXNPSA-N 2 1 397.894 3.988 20 0 GHADMP CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280046227 1048061705 /nfs/dbraw/zinc/06/17/05/1048061705.db2.gz SYMQGVKHACCRDS-IYBDPMFKSA-N 2 1 378.479 3.705 20 0 GHADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280046227 1048061719 /nfs/dbraw/zinc/06/17/19/1048061719.db2.gz SYMQGVKHACCRDS-IYBDPMFKSA-N 2 1 378.479 3.705 20 0 GHADMP CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280046227 1048061735 /nfs/dbraw/zinc/06/17/35/1048061735.db2.gz SYMQGVKHACCRDS-IYBDPMFKSA-N 2 1 378.479 3.705 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(Br)cn1 ZINC001280313462 1048179972 /nfs/dbraw/zinc/17/99/72/1048179972.db2.gz GDROIMBTVRSPJS-UHFFFAOYSA-N 2 1 382.346 3.551 20 0 GHADMP CCCC[NH+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306685570 1048811632 /nfs/dbraw/zinc/81/16/32/1048811632.db2.gz GVCYORJYJBAXBG-OALUTQOASA-N 2 1 392.636 3.518 20 0 GHADMP CCCC[NH+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001306685570 1048811638 /nfs/dbraw/zinc/81/16/38/1048811638.db2.gz GVCYORJYJBAXBG-OALUTQOASA-N 2 1 392.636 3.518 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001306885181 1048943650 /nfs/dbraw/zinc/94/36/50/1048943650.db2.gz MFAMGCIRINMDKG-HSZRJFAPSA-N 2 1 379.548 3.923 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518727 1049361721 /nfs/dbraw/zinc/36/17/21/1049361721.db2.gz VVUPLTCDVXHSFZ-PMACEKPBSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518727 1049361732 /nfs/dbraw/zinc/36/17/32/1049361732.db2.gz VVUPLTCDVXHSFZ-PMACEKPBSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518727 1049361740 /nfs/dbraw/zinc/36/17/40/1049361740.db2.gz VVUPLTCDVXHSFZ-PMACEKPBSA-N 2 1 379.589 3.687 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001307592086 1049431000 /nfs/dbraw/zinc/43/10/00/1049431000.db2.gz JLAIMIJXDFBWFF-PNYFIKQUSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001307592086 1049431007 /nfs/dbraw/zinc/43/10/07/1049431007.db2.gz JLAIMIJXDFBWFF-PNYFIKQUSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001307592086 1049431016 /nfs/dbraw/zinc/43/10/16/1049431016.db2.gz JLAIMIJXDFBWFF-PNYFIKQUSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001307592086 1049431021 /nfs/dbraw/zinc/43/10/21/1049431021.db2.gz JLAIMIJXDFBWFF-PNYFIKQUSA-N 2 1 377.573 3.629 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308039814 1049791154 /nfs/dbraw/zinc/79/11/54/1049791154.db2.gz IJURJTCPLFMNBP-MRXNPFEDSA-N 2 1 379.460 3.715 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308039814 1049791156 /nfs/dbraw/zinc/79/11/56/1049791156.db2.gz IJURJTCPLFMNBP-MRXNPFEDSA-N 2 1 379.460 3.715 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCSC[C@H]1c1ccccc1)c1ccccc1 ZINC001308041395 1049793089 /nfs/dbraw/zinc/79/30/89/1049793089.db2.gz SPDCPAMZEFKGMB-YADHBBJMSA-N 2 1 397.588 3.586 20 0 GHADMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N3c4ccccc4CC[C@@H]3C)CC2)[nH+]c1C ZINC001308082995 1049829607 /nfs/dbraw/zinc/82/96/07/1049829607.db2.gz OSODAHMMUAXNPF-YJBOKZPZSA-N 2 1 380.536 3.962 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1ccc(C[N@H+]3CCC[C@@H](C)C3)cc1)OCO2 ZINC001308199811 1049910409 /nfs/dbraw/zinc/91/04/09/1049910409.db2.gz PTGQYVZBFLGBLM-QGZVFWFLSA-N 2 1 382.504 3.946 20 0 GHADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC001308207073 1049912297 /nfs/dbraw/zinc/91/22/97/1049912297.db2.gz JCLLVPVXGIFFMC-TZIWHRDSSA-N 2 1 387.568 3.796 20 0 GHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001308221952 1049918026 /nfs/dbraw/zinc/91/80/26/1049918026.db2.gz FISJPSGHVUXLDC-UJMXGEILSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001308221952 1049918030 /nfs/dbraw/zinc/91/80/30/1049918030.db2.gz FISJPSGHVUXLDC-UJMXGEILSA-N 2 1 379.589 3.732 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3C)CC2)c1 ZINC001308253798 1049927266 /nfs/dbraw/zinc/92/72/66/1049927266.db2.gz KTIHJUIOFAJADQ-UHFFFAOYSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001290890851 1049945488 /nfs/dbraw/zinc/94/54/88/1049945488.db2.gz HKQLUPVMOZMFLT-JPYJTQIMSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001290890851 1049945493 /nfs/dbraw/zinc/94/54/93/1049945493.db2.gz HKQLUPVMOZMFLT-JPYJTQIMSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001290890851 1049945494 /nfs/dbraw/zinc/94/54/94/1049945494.db2.gz HKQLUPVMOZMFLT-JPYJTQIMSA-N 2 1 389.559 3.747 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC001290900822 1049948593 /nfs/dbraw/zinc/94/85/93/1049948593.db2.gz ZNEPSNFQMSWECQ-KKSHJYNMSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001290900822 1049948596 /nfs/dbraw/zinc/94/85/96/1049948596.db2.gz ZNEPSNFQMSWECQ-KKSHJYNMSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001290900822 1049948599 /nfs/dbraw/zinc/94/85/99/1049948599.db2.gz ZNEPSNFQMSWECQ-KKSHJYNMSA-N 2 1 385.596 3.771 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001291001014 1049967535 /nfs/dbraw/zinc/96/75/35/1049967535.db2.gz CSJWYENUTHEZHT-FUPPJEDESA-N 2 1 397.607 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001291001014 1049967538 /nfs/dbraw/zinc/96/75/38/1049967538.db2.gz CSJWYENUTHEZHT-FUPPJEDESA-N 2 1 397.607 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001291001014 1049967541 /nfs/dbraw/zinc/96/75/41/1049967541.db2.gz CSJWYENUTHEZHT-FUPPJEDESA-N 2 1 397.607 3.773 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001308432694 1049974989 /nfs/dbraw/zinc/97/49/89/1049974989.db2.gz MDRDUWAMAFGNDL-SFHVURJKSA-N 2 1 387.568 3.801 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c1)O[C@H](C)C2 ZINC001308488158 1049988067 /nfs/dbraw/zinc/98/80/67/1049988067.db2.gz IQZJMHSEWXYXPQ-NJNPRVFISA-N 2 1 380.532 3.876 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c1)O[C@H](C)C2 ZINC001308488158 1049988069 /nfs/dbraw/zinc/98/80/69/1049988069.db2.gz IQZJMHSEWXYXPQ-NJNPRVFISA-N 2 1 380.532 3.876 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OCc3ccccc3)[nH]2)CC1 ZINC001308612817 1050032465 /nfs/dbraw/zinc/03/24/65/1050032465.db2.gz TYDUXZFPSPDZBI-UHFFFAOYSA-N 2 1 383.536 3.924 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC[NH+](Cc2ccccc2)C1 ZINC001308693422 1050061496 /nfs/dbraw/zinc/06/14/96/1050061496.db2.gz TWXBHTBSYURXBA-VMIIQTFKSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001308693422 1050061502 /nfs/dbraw/zinc/06/15/02/1050061502.db2.gz TWXBHTBSYURXBA-VMIIQTFKSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308693422 1050061507 /nfs/dbraw/zinc/06/15/07/1050061507.db2.gz TWXBHTBSYURXBA-VMIIQTFKSA-N 2 1 383.580 3.511 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC001308720694 1050070889 /nfs/dbraw/zinc/07/08/89/1050070889.db2.gz NLTFNNKLTQQKIP-UWJYYQICSA-N 2 1 378.582 3.613 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC001308720691 1050071015 /nfs/dbraw/zinc/07/10/15/1050071015.db2.gz NLTFNNKLTQQKIP-LAUBAEHRSA-N 2 1 378.582 3.613 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308729394 1050073870 /nfs/dbraw/zinc/07/38/70/1050073870.db2.gz ZRJMPBFAXCUPNE-QFIPXVFZSA-N 2 1 387.568 3.793 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C[C@@H]1C ZINC001308919842 1050169321 /nfs/dbraw/zinc/16/93/21/1050169321.db2.gz SXXCKFZVEWNMQU-HVJHZFLKSA-N 2 1 385.552 3.751 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC001328086700 1050388712 /nfs/dbraw/zinc/38/87/12/1050388712.db2.gz UVUYHWOKXMRYTF-KRWDZBQOSA-N 2 1 375.438 3.633 20 0 GHADMP CC[C@@]1(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]C1 ZINC001328206142 1050440524 /nfs/dbraw/zinc/44/05/24/1050440524.db2.gz UNDAUBDFZJANMN-HXUWFJFHSA-N 2 1 397.485 3.518 20 0 GHADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1 ZINC001329114008 1050723706 /nfs/dbraw/zinc/72/37/06/1050723706.db2.gz LWGBSTJETCGVFN-UHFFFAOYSA-N 2 1 388.939 3.855 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC001331501534 1051303386 /nfs/dbraw/zinc/30/33/86/1051303386.db2.gz LZWBBJIBHANUCA-IFMALSPDSA-N 2 1 383.511 3.668 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001311347296 1052043913 /nfs/dbraw/zinc/04/39/13/1052043913.db2.gz HLZFRKWKHNOSBR-QFIPXVFZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001311406693 1052113001 /nfs/dbraw/zinc/11/30/01/1052113001.db2.gz WIDGKFGDCVYHGG-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001311688156 1052331498 /nfs/dbraw/zinc/33/14/98/1052331498.db2.gz JWQIUKSVTAJDKN-SFTDATJTSA-N 2 1 388.600 3.660 20 0 GHADMP CCCN(C(=O)N[C@H](C)C[NH+](CC)CC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001311749532 1052373368 /nfs/dbraw/zinc/37/33/68/1052373368.db2.gz LZWAFKVBNJKNJS-IRLDBZIGSA-N 2 1 388.600 3.803 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001312118455 1052583688 /nfs/dbraw/zinc/58/36/88/1052583688.db2.gz GRYUBBRYFSGCRE-FSSWDIPSSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)CC1 ZINC001312641902 1052821248 /nfs/dbraw/zinc/82/12/48/1052821248.db2.gz PYOVVSMGRAJHBB-CBNMVNINSA-N 2 1 392.632 3.649 20 0 GHADMP CN1Cc2ccccc2[C@H]1CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001312712940 1052845750 /nfs/dbraw/zinc/84/57/50/1052845750.db2.gz INKVPPANXVCGPR-JOCHJYFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)CCC1 ZINC001312712940 1052845753 /nfs/dbraw/zinc/84/57/53/1052845753.db2.gz INKVPPANXVCGPR-JOCHJYFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)CCC1 ZINC001312712940 1052845755 /nfs/dbraw/zinc/84/57/55/1052845755.db2.gz INKVPPANXVCGPR-JOCHJYFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCC1 ZINC001312712940 1052845757 /nfs/dbraw/zinc/84/57/57/1052845757.db2.gz INKVPPANXVCGPR-JOCHJYFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCC1 ZINC001312712940 1052845762 /nfs/dbraw/zinc/84/57/62/1052845762.db2.gz INKVPPANXVCGPR-JOCHJYFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCC1 ZINC001312712296 1052845796 /nfs/dbraw/zinc/84/57/96/1052845796.db2.gz PWFOQOYASLDCNS-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001312931930 1052914385 /nfs/dbraw/zinc/91/43/85/1052914385.db2.gz GBFGNDVBLDJDBS-UXHICEINSA-N 2 1 392.613 3.618 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001313002408 1052930737 /nfs/dbraw/zinc/93/07/37/1052930737.db2.gz NRVSQELWFGWRHA-XUZZJYLKSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001313002408 1052930740 /nfs/dbraw/zinc/93/07/40/1052930740.db2.gz NRVSQELWFGWRHA-XUZZJYLKSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001313002408 1052930744 /nfs/dbraw/zinc/93/07/44/1052930744.db2.gz NRVSQELWFGWRHA-XUZZJYLKSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)CC2)CC1 ZINC001313117430 1052961237 /nfs/dbraw/zinc/96/12/37/1052961237.db2.gz PICDHSQGEPGICM-QETWGEEDSA-N 2 1 390.616 3.545 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001313172702 1052976271 /nfs/dbraw/zinc/97/62/71/1052976271.db2.gz ZQUIIFKECZYZHW-QFIPXVFZSA-N 2 1 390.616 3.691 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001313245522 1052995209 /nfs/dbraw/zinc/99/52/09/1052995209.db2.gz XQCDEWIHQNPRGQ-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP CC[N@@H+](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001313816240 1053243792 /nfs/dbraw/zinc/24/37/92/1053243792.db2.gz TWPKVGBJTZAQBQ-OALUTQOASA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)C(C)C ZINC001313816240 1053243802 /nfs/dbraw/zinc/24/38/02/1053243802.db2.gz TWPKVGBJTZAQBQ-OALUTQOASA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001313816240 1053243810 /nfs/dbraw/zinc/24/38/10/1053243810.db2.gz TWPKVGBJTZAQBQ-OALUTQOASA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001318358864 1054585566 /nfs/dbraw/zinc/58/55/66/1054585566.db2.gz AOFALATXBCMUDU-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001318358864 1054585577 /nfs/dbraw/zinc/58/55/77/1054585577.db2.gz AOFALATXBCMUDU-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001318505551 1054686199 /nfs/dbraw/zinc/68/61/99/1054686199.db2.gz YEDRSUUDQXUTKV-STZQEDGTSA-N 2 1 386.584 3.733 20 0 GHADMP Cc1c(C(=O)O[C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)cnn1-c1cc[nH+]cc1 ZINC001344821001 1054760638 /nfs/dbraw/zinc/76/06/38/1054760638.db2.gz PMGYFOROCBVUTL-GCJKJVERSA-N 2 1 390.487 3.786 20 0 GHADMP Cc1c(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)cnn1-c1cc[nH+]cc1 ZINC001344821001 1054760651 /nfs/dbraw/zinc/76/06/51/1054760651.db2.gz PMGYFOROCBVUTL-GCJKJVERSA-N 2 1 390.487 3.786 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001318712983 1054814617 /nfs/dbraw/zinc/81/46/17/1054814617.db2.gz FEGVRZNHIHFTLK-YADHBBJMSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001318712983 1054814641 /nfs/dbraw/zinc/81/46/41/1054814641.db2.gz FEGVRZNHIHFTLK-YADHBBJMSA-N 2 1 392.547 3.705 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001319183909 1055085507 /nfs/dbraw/zinc/08/55/07/1055085507.db2.gz OTCOJRBVXJKZTE-HLAWJBBLSA-N 2 1 378.605 3.545 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c(C)o1 ZINC001320991836 1056047666 /nfs/dbraw/zinc/04/76/66/1056047666.db2.gz DPRHZJDWODWNQO-LJQANCHMSA-N 2 1 383.536 3.590 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c(C)o1 ZINC001320991836 1056047671 /nfs/dbraw/zinc/04/76/71/1056047671.db2.gz DPRHZJDWODWNQO-LJQANCHMSA-N 2 1 383.536 3.590 20 0 GHADMP C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1=CC[NH+](C)CC1 ZINC001324110624 1057072317 /nfs/dbraw/zinc/07/23/17/1057072317.db2.gz GRUKJVYXDCYXFH-FNXHNPQUSA-N 2 1 396.579 3.522 20 0 GHADMP C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC001324110624 1057072323 /nfs/dbraw/zinc/07/23/23/1057072323.db2.gz GRUKJVYXDCYXFH-FNXHNPQUSA-N 2 1 396.579 3.522 20 0 GHADMP C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1=CC[N@@H+](C)CC1 ZINC001324110624 1057072327 /nfs/dbraw/zinc/07/23/27/1057072327.db2.gz GRUKJVYXDCYXFH-FNXHNPQUSA-N 2 1 396.579 3.522 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](CSCC[NH+]1CCOCC1)c1ccccc1 ZINC001472972167 1057161514 /nfs/dbraw/zinc/16/15/14/1057161514.db2.gz CQMBTSJCFHGGEG-HSZRJFAPSA-N 2 1 384.589 3.968 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CSCC[NH+]1CCOCC1)c1ccccc1 ZINC001472972167 1057161516 /nfs/dbraw/zinc/16/15/16/1057161516.db2.gz CQMBTSJCFHGGEG-HSZRJFAPSA-N 2 1 384.589 3.968 20 0 GHADMP COc1nc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC001324553920 1057162946 /nfs/dbraw/zinc/16/29/46/1057162946.db2.gz HHHGRUQAIQDYQT-UHFFFAOYSA-N 2 1 388.943 3.570 20 0 GHADMP COc1nc(Cl)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C ZINC001324553920 1057162949 /nfs/dbraw/zinc/16/29/49/1057162949.db2.gz HHHGRUQAIQDYQT-UHFFFAOYSA-N 2 1 388.943 3.570 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000848571378 1057186522 /nfs/dbraw/zinc/18/65/22/1057186522.db2.gz BFDIOOHXZVYTPP-UHFFFAOYSA-N 2 1 380.532 3.935 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(Br)o2)CC1 ZINC001326015077 1057396441 /nfs/dbraw/zinc/39/64/41/1057396441.db2.gz KQWCEFGBUFEEHS-UHFFFAOYSA-N 2 1 392.341 3.864 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000849002975 1057511573 /nfs/dbraw/zinc/51/15/73/1057511573.db2.gz PEGWDVZZEQHLCD-HNNXBMFYSA-N 2 1 377.945 3.562 20 0 GHADMP C[S@](=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001327211101 1057622341 /nfs/dbraw/zinc/62/23/41/1057622341.db2.gz VHZAUXYBVAMZSD-ZBLYBZFDSA-N 2 1 382.573 3.816 20 0 GHADMP COCCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(F)cc1 ZINC001339892749 1059541938 /nfs/dbraw/zinc/54/19/38/1059541938.db2.gz JBSSJFXISXXWPR-DEOSSOPVSA-N 2 1 399.554 3.831 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001446188393 1059722575 /nfs/dbraw/zinc/72/25/75/1059722575.db2.gz KFQWPPWUQKCUAO-QHCPKHFHSA-N 2 1 397.607 3.869 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC001341695511 1060817212 /nfs/dbraw/zinc/81/72/12/1060817212.db2.gz GOGRKIITACYYSR-LAUBAEHRSA-N 2 1 397.519 3.507 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001341757059 1060865305 /nfs/dbraw/zinc/86/53/05/1060865305.db2.gz IITZNNNFVOIYDM-MYKSZAICSA-N 2 1 393.934 3.510 20 0 GHADMP c1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC001345956657 1061242900 /nfs/dbraw/zinc/24/29/00/1061242900.db2.gz QKYNKOYVFNRMAY-UHFFFAOYSA-N 2 1 387.531 3.900 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001454127302 1061620802 /nfs/dbraw/zinc/62/08/02/1061620802.db2.gz PWHQQCJWDAKIKK-PUHATCMVSA-N 2 1 385.596 3.520 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001455006307 1061974382 /nfs/dbraw/zinc/97/43/82/1061974382.db2.gz BPPKELJVWWKZRS-DNQXCXABSA-N 2 1 391.559 3.598 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006307 1061974384 /nfs/dbraw/zinc/97/43/84/1061974384.db2.gz BPPKELJVWWKZRS-DNQXCXABSA-N 2 1 391.559 3.598 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006307 1061974388 /nfs/dbraw/zinc/97/43/88/1061974388.db2.gz BPPKELJVWWKZRS-DNQXCXABSA-N 2 1 391.559 3.598 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC)C1)c1cccc(C(F)(F)F)c1 ZINC001457417470 1063162053 /nfs/dbraw/zinc/16/20/53/1063162053.db2.gz UXBSYCCEIWITRL-MSOLQXFVSA-N 2 1 385.474 3.641 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457573969 1063257846 /nfs/dbraw/zinc/25/78/46/1063257846.db2.gz KOJBUMDIKADKII-XWGVYQGASA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457573969 1063257869 /nfs/dbraw/zinc/25/78/69/1063257869.db2.gz KOJBUMDIKADKII-XWGVYQGASA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457573969 1063257887 /nfs/dbraw/zinc/25/78/87/1063257887.db2.gz KOJBUMDIKADKII-XWGVYQGASA-N 2 1 391.559 3.708 20 0 GHADMP Cc1nc2scc(-c3ccccc3)c2c(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC001458480833 1063836889 /nfs/dbraw/zinc/83/68/89/1063836889.db2.gz XQJXFLKGGHDQOU-UHFFFAOYSA-N 2 1 383.565 3.962 20 0 GHADMP Cc1nc2scc(-c3ccccc3)c2c(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC001458480833 1063836910 /nfs/dbraw/zinc/83/69/10/1063836910.db2.gz XQJXFLKGGHDQOU-UHFFFAOYSA-N 2 1 383.565 3.962 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001459953451 1064300610 /nfs/dbraw/zinc/30/06/10/1064300610.db2.gz QFWPSHUTAIUVDH-XBYSBRQOSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001459997658 1064330847 /nfs/dbraw/zinc/33/08/47/1064330847.db2.gz RWZBKZUFLVSNER-NQIIRXRSSA-N 2 1 383.511 3.963 20 0 GHADMP CC(C)(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC001463553429 1064455122 /nfs/dbraw/zinc/45/51/22/1064455122.db2.gz UROGDMGFUQBXHM-LJQANCHMSA-N 2 1 393.522 3.525 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC001463739961 1064580192 /nfs/dbraw/zinc/58/01/92/1064580192.db2.gz WKUXEPMWJJFLPF-DHIUTWEWSA-N 2 1 385.596 3.773 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1cccc(OC)c1 ZINC001463909772 1064712922 /nfs/dbraw/zinc/71/29/22/1064712922.db2.gz AGDZDTWFFLDUSI-YADHBBJMSA-N 2 1 387.568 3.601 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001464197215 1064902720 /nfs/dbraw/zinc/90/27/20/1064902720.db2.gz XOYFVPYCLPRATJ-VLVHOKLOSA-N 2 1 385.596 3.901 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC001464449417 1065015993 /nfs/dbraw/zinc/01/59/93/1065015993.db2.gz IUFLHCYCBKQRAQ-IRLDBZIGSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001464449417 1065016011 /nfs/dbraw/zinc/01/60/11/1065016011.db2.gz IUFLHCYCBKQRAQ-IRLDBZIGSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001464449417 1065016022 /nfs/dbraw/zinc/01/60/22/1065016022.db2.gz IUFLHCYCBKQRAQ-IRLDBZIGSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(CC[NH+](C)C)c3)cc2)C1 ZINC001465571508 1065723038 /nfs/dbraw/zinc/72/30/38/1065723038.db2.gz PJZWSPGEZRUIKX-LJQANCHMSA-N 2 1 395.547 3.764 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1)CC(C)C ZINC001466368753 1066116422 /nfs/dbraw/zinc/11/64/22/1066116422.db2.gz IOZHBZVIIONGPQ-UHFFFAOYSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001467740475 1067445381 /nfs/dbraw/zinc/44/53/81/1067445381.db2.gz ORUGBOVNFPQRGG-OAQYLSRUSA-N 2 1 392.632 3.987 20 0 GHADMP C[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001467847450 1067496082 /nfs/dbraw/zinc/49/60/82/1067496082.db2.gz WOXMVXCXUGMRRD-UTKZUKDTSA-N 2 1 399.966 3.548 20 0 GHADMP C[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC001467847450 1067496088 /nfs/dbraw/zinc/49/60/88/1067496088.db2.gz WOXMVXCXUGMRRD-UTKZUKDTSA-N 2 1 399.966 3.548 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001467866542 1067507172 /nfs/dbraw/zinc/50/71/72/1067507172.db2.gz QZOXFCARSDMJDY-UHFFFAOYSA-N 2 1 388.600 3.837 20 0 GHADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001467982327 1067553823 /nfs/dbraw/zinc/55/38/23/1067553823.db2.gz DYPSGASFWCKHGS-QFIPXVFZSA-N 2 1 388.600 3.708 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C1CCCCC1 ZINC001468019224 1067567731 /nfs/dbraw/zinc/56/77/31/1067567731.db2.gz SDHIYAAORSOVDZ-NRFANRHFSA-N 2 1 392.563 3.772 20 0 GHADMP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001477764339 1078558122 /nfs/dbraw/zinc/55/81/22/1078558122.db2.gz GMUJKFFDBBVKGH-OAQYLSRUSA-N 2 1 388.600 3.805 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[NH+](C)C)cc1 ZINC001468351917 1067699124 /nfs/dbraw/zinc/69/91/24/1067699124.db2.gz SEYMURMTAPHJRN-YADHBBJMSA-N 2 1 386.584 3.694 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)C[C@@H]1C ZINC001468947299 1067935222 /nfs/dbraw/zinc/93/52/22/1067935222.db2.gz NTRONAWKIXAXQW-JAXLGGSGSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001468947299 1067935223 /nfs/dbraw/zinc/93/52/23/1067935223.db2.gz NTRONAWKIXAXQW-JAXLGGSGSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001468947299 1067935225 /nfs/dbraw/zinc/93/52/25/1067935225.db2.gz NTRONAWKIXAXQW-JAXLGGSGSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1cccc(Cl)c1Cl ZINC001468950447 1067936618 /nfs/dbraw/zinc/93/66/18/1067936618.db2.gz MKBIXZCMAWUXRH-UONOGXRCSA-N 2 1 389.371 3.626 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1cccc(Cl)c1Cl ZINC001468950447 1067936620 /nfs/dbraw/zinc/93/66/20/1067936620.db2.gz MKBIXZCMAWUXRH-UONOGXRCSA-N 2 1 389.371 3.626 20 0 GHADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001469564911 1068227911 /nfs/dbraw/zinc/22/79/11/1068227911.db2.gz MNGLHKROVFOTMD-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001470026970 1068530431 /nfs/dbraw/zinc/53/04/31/1068530431.db2.gz VSDUHBLSPGOMRD-HOTGVXAUSA-N 2 1 387.490 3.587 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC001470026970 1068530443 /nfs/dbraw/zinc/53/04/43/1068530443.db2.gz VSDUHBLSPGOMRD-HOTGVXAUSA-N 2 1 387.490 3.587 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1OC(F)F ZINC001460087009 1068772791 /nfs/dbraw/zinc/77/27/91/1068772791.db2.gz WQMRRJIXIRUOFD-UHFFFAOYSA-N 2 1 389.490 3.538 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C2CC2)c1 ZINC001460168374 1068827842 /nfs/dbraw/zinc/82/78/42/1068827842.db2.gz IFHBSUKINHNXTR-IMWIBFENSA-N 2 1 391.559 3.994 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCCCC3(C)OCCO3)cc2)C[C@H](C)O1 ZINC001460318934 1068923622 /nfs/dbraw/zinc/92/36/22/1068923622.db2.gz TYNCGAJDWBKHSW-BGYRXZFFSA-N 2 1 390.568 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCCCC3(C)OCCO3)cc2)C[C@H](C)O1 ZINC001460318934 1068923626 /nfs/dbraw/zinc/92/36/26/1068923626.db2.gz TYNCGAJDWBKHSW-BGYRXZFFSA-N 2 1 390.568 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCCCC3(C)OCCO3)cc2)C[C@H](C)O1 ZINC001460318934 1068923630 /nfs/dbraw/zinc/92/36/30/1068923630.db2.gz TYNCGAJDWBKHSW-BGYRXZFFSA-N 2 1 390.568 3.661 20 0 GHADMP OC1(C[C@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC001460765294 1069164936 /nfs/dbraw/zinc/16/49/36/1069164936.db2.gz WVYYYYWNTRTEFI-HSZRJFAPSA-N 2 1 386.580 3.959 20 0 GHADMP OC1(C[C@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)CCCCC1 ZINC001460765294 1069164940 /nfs/dbraw/zinc/16/49/40/1069164940.db2.gz WVYYYYWNTRTEFI-HSZRJFAPSA-N 2 1 386.580 3.959 20 0 GHADMP C[C@H](CCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC001478416425 1078858888 /nfs/dbraw/zinc/85/88/88/1078858888.db2.gz APQPBCDCBCVCCG-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP CSc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC001478700890 1078960247 /nfs/dbraw/zinc/96/02/47/1078960247.db2.gz KKRFDPUCGYEUCU-XLIONFOSSA-N 2 1 392.613 3.575 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001478765423 1078979359 /nfs/dbraw/zinc/97/93/59/1078979359.db2.gz OYPMFQKALUWWLS-RBBKRZOGSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001478765423 1078979362 /nfs/dbraw/zinc/97/93/62/1078979362.db2.gz OYPMFQKALUWWLS-RBBKRZOGSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001478765423 1078979363 /nfs/dbraw/zinc/97/93/63/1078979363.db2.gz OYPMFQKALUWWLS-RBBKRZOGSA-N 2 1 388.600 3.851 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCCC3)CC2)[nH+]c1 ZINC001471236695 1072978916 /nfs/dbraw/zinc/97/89/16/1072978916.db2.gz VZKZDWBMSMVMIY-NRFANRHFSA-N 2 1 384.568 3.520 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)CC2)[nH+]c1 ZINC001471236695 1072978917 /nfs/dbraw/zinc/97/89/17/1072978917.db2.gz VZKZDWBMSMVMIY-NRFANRHFSA-N 2 1 384.568 3.520 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001471522458 1073115409 /nfs/dbraw/zinc/11/54/09/1073115409.db2.gz XKSUQRIYJUNMOL-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001479083157 1079096478 /nfs/dbraw/zinc/09/64/78/1079096478.db2.gz QLKXEXXFUWCZLN-WTIAFYNJSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001479083157 1079096481 /nfs/dbraw/zinc/09/64/81/1079096481.db2.gz QLKXEXXFUWCZLN-WTIAFYNJSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001479083157 1079096483 /nfs/dbraw/zinc/09/64/83/1079096483.db2.gz QLKXEXXFUWCZLN-WTIAFYNJSA-N 2 1 398.595 3.870 20 0 GHADMP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001473224431 1073873228 /nfs/dbraw/zinc/87/32/28/1073873228.db2.gz ZBAIGUQEKPUNII-LADGPHEKSA-N 2 1 379.548 3.661 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC001473231720 1073877451 /nfs/dbraw/zinc/87/74/51/1073877451.db2.gz RGRLVXYTBRBLNB-BJKOFHAPSA-N 2 1 391.559 3.948 20 0 GHADMP OC[C@@]1([N@@H+](Cc2ccccc2)Cc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC001473467968 1073979726 /nfs/dbraw/zinc/97/97/26/1073979726.db2.gz KFZQNUFNRVQOBV-VWLOTQADSA-N 2 1 394.559 3.826 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719499 1074106099 /nfs/dbraw/zinc/10/60/99/1074106099.db2.gz XJJTYYQJGNVABA-LUGTWXOSSA-N 2 1 384.564 3.810 20 0 GHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473780827 1074139296 /nfs/dbraw/zinc/13/92/96/1074139296.db2.gz MCPGGKJVRJRGSV-UEXGIBASSA-N 2 1 383.511 3.564 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC001473935859 1074210219 /nfs/dbraw/zinc/21/02/19/1074210219.db2.gz GADAPTNHWBBHFR-WIOPSUGQSA-N 2 1 399.623 3.899 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccccc2CC(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001474018406 1074237571 /nfs/dbraw/zinc/23/75/71/1074237571.db2.gz LIMIUOFPGJDEEK-FQEVSTJZSA-N 2 1 378.438 3.518 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccccc2CC(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001474018406 1074237575 /nfs/dbraw/zinc/23/75/75/1074237575.db2.gz LIMIUOFPGJDEEK-FQEVSTJZSA-N 2 1 378.438 3.518 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001474091558 1074261087 /nfs/dbraw/zinc/26/10/87/1074261087.db2.gz LNRHWNFHWOXHKF-TYCQWZJGSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC001474091558 1074261091 /nfs/dbraw/zinc/26/10/91/1074261091.db2.gz LNRHWNFHWOXHKF-TYCQWZJGSA-N 2 1 385.939 3.899 20 0 GHADMP COc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1C(C)(C)C ZINC001474359600 1074362149 /nfs/dbraw/zinc/36/21/49/1074362149.db2.gz YGGCCPZOKAINEX-UHFFFAOYSA-N 2 1 387.612 3.983 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(CNC(=O)OC(C)(C)C)c3)C2)CC1 ZINC001474503974 1074436437 /nfs/dbraw/zinc/43/64/37/1074436437.db2.gz XMEADKCLNSEPGQ-NRFANRHFSA-N 2 1 387.568 3.875 20 0 GHADMP COc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001474744994 1074543133 /nfs/dbraw/zinc/54/31/33/1074543133.db2.gz NSSKWROAOYEKLD-OUFMZXHOSA-N 2 1 379.548 3.912 20 0 GHADMP Cc1cc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)cc(Cl)n1 ZINC001474754220 1074546000 /nfs/dbraw/zinc/54/60/00/1074546000.db2.gz QZRMVJHFEXMTNL-UHFFFAOYSA-N 2 1 381.911 3.956 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001495776798 1079429466 /nfs/dbraw/zinc/42/94/66/1079429466.db2.gz DUNHVAKQDMLNOH-RBUKOAKNSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC[N@H+](C)[C@@H](C)CC ZINC001495776794 1079429698 /nfs/dbraw/zinc/42/96/98/1079429698.db2.gz DUNHVAKQDMLNOH-MOPGFXCFSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001496157378 1079459148 /nfs/dbraw/zinc/45/91/48/1079459148.db2.gz CULYQCSRZJYJKM-IBGZPJMESA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001496157378 1079459153 /nfs/dbraw/zinc/45/91/53/1079459153.db2.gz CULYQCSRZJYJKM-IBGZPJMESA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001496157378 1079459158 /nfs/dbraw/zinc/45/91/58/1079459158.db2.gz CULYQCSRZJYJKM-IBGZPJMESA-N 2 1 390.620 3.587 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820710646 599367581 /nfs/dbraw/zinc/36/75/81/599367581.db2.gz RISLVLFLTPHNNB-ZWKOTPCHSA-N 2 1 390.535 3.949 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824284353 608499919 /nfs/dbraw/zinc/49/99/19/608499919.db2.gz GHLKUNOMRVPPQZ-JOCHJYFZSA-N 2 1 390.535 3.874 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2c(Cl)cc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164681855 719612731 /nfs/dbraw/zinc/61/27/31/719612731.db2.gz BFJCHZWLGVYOPB-UHFFFAOYSA-N 2 1 388.730 3.713 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2c(Cl)cc(Cl)nc2Cl)c2c1CC[NH2+]C2 ZINC001164681855 719612737 /nfs/dbraw/zinc/61/27/37/719612737.db2.gz BFJCHZWLGVYOPB-UHFFFAOYSA-N 2 1 388.730 3.713 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c([nH+]3)CCCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836265 720533240 /nfs/dbraw/zinc/53/32/40/720533240.db2.gz JJDLPCQNWGHTIW-JAXLGGSGSA-N 2 1 379.552 3.535 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c([nH+]3)CCCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836265 720533249 /nfs/dbraw/zinc/53/32/49/720533249.db2.gz JJDLPCQNWGHTIW-JAXLGGSGSA-N 2 1 379.552 3.535 20 0 GHADMP CCc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C)[nH+]1 ZINC001164845369 720700801 /nfs/dbraw/zinc/70/08/01/720700801.db2.gz YUWGLCFCYGLFPW-OAQYLSRUSA-N 2 1 380.536 3.607 20 0 GHADMP CCc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C)[nH+]1 ZINC001164845369 720700809 /nfs/dbraw/zinc/70/08/09/720700809.db2.gz YUWGLCFCYGLFPW-OAQYLSRUSA-N 2 1 380.536 3.607 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165020792 721813691 /nfs/dbraw/zinc/81/36/91/721813691.db2.gz DAOZEFQWPMEZHG-SXLOBPIMSA-N 2 1 390.535 3.707 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2c1C ZINC001165020792 721813693 /nfs/dbraw/zinc/81/36/93/721813693.db2.gz DAOZEFQWPMEZHG-SXLOBPIMSA-N 2 1 390.535 3.707 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)C[N@H+]1Cc1ccccc1 ZINC000414364814 837390469 /nfs/dbraw/zinc/39/04/69/837390469.db2.gz JQDPYYIFOWIHGL-SJLPKXTDSA-N 2 1 392.590 3.542 20 0 GHADMP CN(C)c1ccc(N2CCC([NH2+]CCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000162749450 837410498 /nfs/dbraw/zinc/41/04/98/837410498.db2.gz ISIJFPHGNLYEAI-UHFFFAOYSA-N 2 1 380.580 3.833 20 0 GHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC000180733268 837517116 /nfs/dbraw/zinc/51/71/16/837517116.db2.gz OEFAGWMEXREGEX-UYAOXDASSA-N 2 1 385.552 3.900 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC000180733268 837517125 /nfs/dbraw/zinc/51/71/25/837517125.db2.gz OEFAGWMEXREGEX-UYAOXDASSA-N 2 1 385.552 3.900 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC000180733268 837517131 /nfs/dbraw/zinc/51/71/31/837517131.db2.gz OEFAGWMEXREGEX-UYAOXDASSA-N 2 1 385.552 3.900 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC000180733268 837517133 /nfs/dbraw/zinc/51/71/33/837517133.db2.gz OEFAGWMEXREGEX-UYAOXDASSA-N 2 1 385.552 3.900 20 0 GHADMP CCSc1ccc(Cl)cc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000173091683 837549924 /nfs/dbraw/zinc/54/99/24/837549924.db2.gz ABVDMNLPGLNBOH-UHFFFAOYSA-N 2 1 399.004 3.942 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696706 837687812 /nfs/dbraw/zinc/68/78/12/837687812.db2.gz JLYKBVLOHBAEGW-YADARESESA-N 2 1 395.547 3.955 20 0 GHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000655722733 837738746 /nfs/dbraw/zinc/73/87/46/837738746.db2.gz GSHJBCPUNZHYGM-UHFFFAOYSA-N 2 1 378.520 3.719 20 0 GHADMP CNC(=O)CC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCC1 ZINC000657763008 834461154 /nfs/dbraw/zinc/46/11/54/834461154.db2.gz UJFIXTXIFNFRQM-UHFFFAOYSA-N 2 1 389.559 3.509 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000278758183 834518737 /nfs/dbraw/zinc/51/87/37/834518737.db2.gz SWWGJWUBGQOIBN-WMZHIEFXSA-N 2 1 398.595 3.555 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705337 834521059 /nfs/dbraw/zinc/52/10/59/834521059.db2.gz DYYWNCQBOZGYEO-ZVDOUQERSA-N 2 1 376.541 3.592 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cnc2n1 ZINC000657771297 834660180 /nfs/dbraw/zinc/66/01/80/834660180.db2.gz AWIXCSJXWUPWDU-OAQYLSRUSA-N 2 1 389.547 3.738 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000654969831 834880416 /nfs/dbraw/zinc/88/04/16/834880416.db2.gz KGQDTWVSEZRZTI-RTWAWAEBSA-N 2 1 385.939 3.619 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000654969831 834880422 /nfs/dbraw/zinc/88/04/22/834880422.db2.gz KGQDTWVSEZRZTI-RTWAWAEBSA-N 2 1 385.939 3.619 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](Cc4nccc5ccccc54)CC3)C2)cc1 ZINC000685442017 835011281 /nfs/dbraw/zinc/01/12/81/835011281.db2.gz ZQQUIRNIQFGFBB-HSZRJFAPSA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4nccc5ccccc54)CC3)C2)cc1 ZINC000685442017 835011292 /nfs/dbraw/zinc/01/12/92/835011292.db2.gz ZQQUIRNIQFGFBB-HSZRJFAPSA-N 2 1 386.543 3.627 20 0 GHADMP O=C(NC1CC1)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000685632445 835240443 /nfs/dbraw/zinc/24/04/43/835240443.db2.gz SUIGISQOMBVIIX-QFIPXVFZSA-N 2 1 391.559 3.971 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000536164687 835263414 /nfs/dbraw/zinc/26/34/14/835263414.db2.gz UUXRNQKMWGSGDJ-WMLDXEAASA-N 2 1 396.441 3.915 20 0 GHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc21 ZINC000433349127 844041798 /nfs/dbraw/zinc/04/17/98/844041798.db2.gz BNZOZZXWDZEVIS-NRFANRHFSA-N 2 1 382.552 3.939 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135362 835444389 /nfs/dbraw/zinc/44/43/89/835444389.db2.gz DHRPLABBJQDPNL-PZJWPPBQSA-N 2 1 386.923 3.910 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000685258912 835499028 /nfs/dbraw/zinc/49/90/28/835499028.db2.gz MCOIFMAIBMUQMJ-UHFFFAOYSA-N 2 1 386.584 3.721 20 0 GHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@@H](n3ccnc3)C(F)(F)F)c2C1 ZINC000635716896 835509693 /nfs/dbraw/zinc/50/96/93/835509693.db2.gz HLSJBDDNFBHBSZ-QGZVFWFLSA-N 2 1 380.414 3.987 20 0 GHADMP CC(C)CN1Cc2cccc(NC(=O)C[C@@H](n3ccnc3)C(F)(F)F)c2C1 ZINC000635716896 835509698 /nfs/dbraw/zinc/50/96/98/835509698.db2.gz HLSJBDDNFBHBSZ-QGZVFWFLSA-N 2 1 380.414 3.987 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c(OC)c1OC ZINC000472365947 835663734 /nfs/dbraw/zinc/66/37/34/835663734.db2.gz GXZBFCZJUFLAHX-RTWAWAEBSA-N 2 1 398.547 3.885 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)CC1 ZINC000159061397 835713177 /nfs/dbraw/zinc/71/31/77/835713177.db2.gz PYRUOUQZSKFKGE-NRFANRHFSA-N 2 1 377.617 3.715 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000179718879 835746488 /nfs/dbraw/zinc/74/64/88/835746488.db2.gz VOUYPAOZBZRBSP-QGZVFWFLSA-N 2 1 379.504 3.745 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ncn1 ZINC000274886536 835782334 /nfs/dbraw/zinc/78/23/34/835782334.db2.gz IQJLKGJLOYFGQD-PZJWPPBQSA-N 2 1 393.579 3.508 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ncc(C(F)(F)F)s3)CC2)oc1C ZINC000278721947 835879047 /nfs/dbraw/zinc/87/90/47/835879047.db2.gz SVTGKHVBBJRQBX-UHFFFAOYSA-N 2 1 388.459 3.769 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C[C@H](C)O1 ZINC000092587594 844122418 /nfs/dbraw/zinc/12/24/18/844122418.db2.gz GSIMVWZUALBMOG-CALCHBBNSA-N 2 1 386.565 3.526 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569867291 836092409 /nfs/dbraw/zinc/09/24/09/836092409.db2.gz DYUFFIRKRXQDIA-BHDDXSALSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569867291 836092419 /nfs/dbraw/zinc/09/24/19/836092419.db2.gz DYUFFIRKRXQDIA-BHDDXSALSA-N 2 1 381.564 3.707 20 0 GHADMP C[C@H](NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375789 836231024 /nfs/dbraw/zinc/23/10/24/836231024.db2.gz DHFAHCIDUBXFIR-XKCSPQBFSA-N 2 1 383.580 3.635 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)n1 ZINC000548483931 844148638 /nfs/dbraw/zinc/14/86/38/844148638.db2.gz FGMSTGSAGCIAGC-NFBKMPQASA-N 2 1 389.547 3.884 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NCc1ccccc1 ZINC000174155413 836388227 /nfs/dbraw/zinc/38/82/27/836388227.db2.gz HZSQWJZVHPSKMQ-IBGZPJMESA-N 2 1 391.515 3.706 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000613450079 836409041 /nfs/dbraw/zinc/40/90/41/836409041.db2.gz VKTPCKVERFQJEQ-OAQYLSRUSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000613450079 836409051 /nfs/dbraw/zinc/40/90/51/836409051.db2.gz VKTPCKVERFQJEQ-OAQYLSRUSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000613450079 836409057 /nfs/dbraw/zinc/40/90/57/836409057.db2.gz VKTPCKVERFQJEQ-OAQYLSRUSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CCCO1 ZINC000683343960 836545143 /nfs/dbraw/zinc/54/51/43/836545143.db2.gz FXPFJUUGGYCJFN-IBGZPJMESA-N 2 1 386.511 3.995 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC[N@H+]1C ZINC000155251660 836665855 /nfs/dbraw/zinc/66/58/55/836665855.db2.gz NFMKSDWJKWEOCC-MAUKXSAKSA-N 2 1 381.358 3.570 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)N2CCOCC2)o1 ZINC000118950584 836734456 /nfs/dbraw/zinc/73/44/56/836734456.db2.gz AGSLWAGHDQUISP-BWAGFHJFSA-N 2 1 389.584 3.594 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000892581335 836756161 /nfs/dbraw/zinc/75/61/61/836756161.db2.gz WDWRKYSSBQQREU-INIZCTEOSA-N 2 1 387.549 3.984 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)s1 ZINC000892581335 836756168 /nfs/dbraw/zinc/75/61/68/836756168.db2.gz WDWRKYSSBQQREU-INIZCTEOSA-N 2 1 387.549 3.984 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000275359128 836881175 /nfs/dbraw/zinc/88/11/75/836881175.db2.gz ASIXIKVGHWPXGR-AYOQOUSVSA-N 2 1 382.508 3.746 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)CC3 ZINC000180880037 844213821 /nfs/dbraw/zinc/21/38/21/844213821.db2.gz HFHQRXJGOSXPPY-LJQANCHMSA-N 2 1 381.564 3.958 20 0 GHADMP C#CCOc1ccc(Br)cc1C[NH2+]C1CCN(CC(=C)C)CC1 ZINC000236689569 836978804 /nfs/dbraw/zinc/97/88/04/836978804.db2.gz OBXPAPXTJKCJAZ-UHFFFAOYSA-N 2 1 377.326 3.591 20 0 GHADMP CC[C@@H](C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000685826770 837045130 /nfs/dbraw/zinc/04/51/30/837045130.db2.gz JUGJVOXZIOAKFG-QHCPKHFHSA-N 2 1 394.563 3.678 20 0 GHADMP Cc1cc(OCCC[C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1Cl ZINC000510951836 844238410 /nfs/dbraw/zinc/23/84/10/844238410.db2.gz PYPOQUDBBZJRSO-GOSISDBHSA-N 2 1 381.992 3.812 20 0 GHADMP CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167283656 837312084 /nfs/dbraw/zinc/31/20/84/837312084.db2.gz KEMCFSANMRKCLI-XMMPIXPASA-N 2 1 399.623 3.815 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCc2ccccc21 ZINC000535675787 844281226 /nfs/dbraw/zinc/28/12/26/844281226.db2.gz OTDFDANACHLOLY-UHFFFAOYSA-N 2 1 389.543 3.564 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000659245992 838001186 /nfs/dbraw/zinc/00/11/86/838001186.db2.gz FFPPQCKBWPYFBF-ZPMCFJSWSA-N 2 1 377.532 3.631 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000647096234 838029506 /nfs/dbraw/zinc/02/95/06/838029506.db2.gz HMUXPUNBSKMZMN-SFHVURJKSA-N 2 1 381.520 3.959 20 0 GHADMP O[C@@H](COc1ccc(F)cc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535680215 844300118 /nfs/dbraw/zinc/30/01/18/844300118.db2.gz LMGLVBFYAVGNCQ-JOCHJYFZSA-N 2 1 398.522 3.554 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000165430069 838234608 /nfs/dbraw/zinc/23/46/08/838234608.db2.gz WACAYWNWVWFIBC-MRXNPFEDSA-N 2 1 384.499 3.674 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415914320 838263061 /nfs/dbraw/zinc/26/30/61/838263061.db2.gz WCIBDPSCCJHMDK-AZUAARDMSA-N 2 1 380.536 3.828 20 0 GHADMP C[C@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659319664 838278985 /nfs/dbraw/zinc/27/89/85/838278985.db2.gz SRTKXEWKCDEIDE-CDNPAEQRSA-N 2 1 391.559 3.706 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000415935686 838289173 /nfs/dbraw/zinc/28/91/73/838289173.db2.gz VCTKHWZUTPSCQF-LJQANCHMSA-N 2 1 380.536 3.782 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000415936732 838290373 /nfs/dbraw/zinc/29/03/73/838290373.db2.gz VAAUUCBYOKWUSS-XMMPIXPASA-N 2 1 392.547 3.926 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000415945492 838298937 /nfs/dbraw/zinc/29/89/37/838298937.db2.gz DDTREXMEFCVTGX-UXHICEINSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000415945492 838298946 /nfs/dbraw/zinc/29/89/46/838298946.db2.gz DDTREXMEFCVTGX-UXHICEINSA-N 2 1 388.462 3.769 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000415957566 838310467 /nfs/dbraw/zinc/31/04/67/838310467.db2.gz PTPPADVYLKYZCZ-IBGZPJMESA-N 2 1 380.536 3.924 20 0 GHADMP CN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415962290 838319574 /nfs/dbraw/zinc/31/95/74/838319574.db2.gz SRCNXTDNFXGIOD-IBGZPJMESA-N 2 1 396.510 3.600 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415962132 838320087 /nfs/dbraw/zinc/32/00/87/838320087.db2.gz WMOMBOILJUFIIY-RXVVDRJESA-N 2 1 380.536 3.971 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973218 838331692 /nfs/dbraw/zinc/33/16/92/838331692.db2.gz OBRLETGAOYALKC-NRFANRHFSA-N 2 1 380.536 3.782 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415999803 838377623 /nfs/dbraw/zinc/37/76/23/838377623.db2.gz VZZPJIUDRLFBHE-JTSKRJEESA-N 2 1 378.520 3.807 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000188765865 838941261 /nfs/dbraw/zinc/94/12/61/838941261.db2.gz QDFVNCRSMRDASA-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468557153 839040468 /nfs/dbraw/zinc/04/04/68/839040468.db2.gz XSCWSSIUBQHSEH-UZLBHIALSA-N 2 1 378.969 3.949 20 0 GHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468557153 839040475 /nfs/dbraw/zinc/04/04/75/839040475.db2.gz XSCWSSIUBQHSEH-UZLBHIALSA-N 2 1 378.969 3.949 20 0 GHADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415049460 839116560 /nfs/dbraw/zinc/11/65/60/839116560.db2.gz HHSBJUKWUTVVAU-DZIBYMRMSA-N 2 1 383.502 3.833 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000471548193 839160139 /nfs/dbraw/zinc/16/01/39/839160139.db2.gz QIPZTBLJVFEGMH-AJSBUHFISA-N 2 1 379.548 3.706 20 0 GHADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)n1 ZINC000415086800 839187356 /nfs/dbraw/zinc/18/73/56/839187356.db2.gz UXVZUCPECVKTMW-RTWAWAEBSA-N 2 1 376.504 3.924 20 0 GHADMP [NH3+][C@@H](CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000580308629 839222995 /nfs/dbraw/zinc/22/29/95/839222995.db2.gz OSOANBWBYNQEGD-UKILVPOCSA-N 2 1 391.559 3.981 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC000513088411 844414569 /nfs/dbraw/zinc/41/45/69/844414569.db2.gz HRKWOLDAXINGCY-HXUWFJFHSA-N 2 1 397.567 3.715 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)c(Cl)c3)CC2)C1 ZINC000415126117 839234390 /nfs/dbraw/zinc/23/43/90/839234390.db2.gz PGADFYCHPCWPAK-RHSMWYFYSA-N 2 1 387.749 3.821 20 0 GHADMP C[NH2+]CCC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000415125841 839234776 /nfs/dbraw/zinc/23/47/76/839234776.db2.gz FNWGFPHXYXPQMF-UHFFFAOYSA-N 2 1 378.520 3.648 20 0 GHADMP C[NH2+]CCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000415125841 839234786 /nfs/dbraw/zinc/23/47/86/839234786.db2.gz FNWGFPHXYXPQMF-UHFFFAOYSA-N 2 1 378.520 3.648 20 0 GHADMP [NH3+]C1(CNCc2ccccc2OCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415123205 839244387 /nfs/dbraw/zinc/24/43/87/839244387.db2.gz AJRPBKMIDKGORE-UHFFFAOYSA-N 2 1 379.548 3.559 20 0 GHADMP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549235963 839440220 /nfs/dbraw/zinc/44/02/20/839440220.db2.gz SQFJAHZOOZMMFN-BUHWKMJWSA-N 2 1 399.000 3.667 20 0 GHADMP COCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000580473407 839620750 /nfs/dbraw/zinc/62/07/50/839620750.db2.gz LXUKQALSMNVHAB-GOSISDBHSA-N 2 1 375.340 3.771 20 0 GHADMP Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000580553013 839797359 /nfs/dbraw/zinc/79/73/59/839797359.db2.gz LKZIFOISXJZIIX-ZCYQVOJMSA-N 2 1 394.559 3.678 20 0 GHADMP Clc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000893010250 839907828 /nfs/dbraw/zinc/90/78/28/839907828.db2.gz HXZQRQVYXHYBMA-CYBMUJFWSA-N 2 1 387.749 3.693 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126433289 840226145 /nfs/dbraw/zinc/22/61/45/840226145.db2.gz ZAKRVUCLSUPYFP-DXJOGWAWSA-N 2 1 394.357 3.771 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126433289 840226153 /nfs/dbraw/zinc/22/61/53/840226153.db2.gz ZAKRVUCLSUPYFP-DXJOGWAWSA-N 2 1 394.357 3.771 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563086242 844526314 /nfs/dbraw/zinc/52/63/14/844526314.db2.gz FCYSBHNGZNDHLI-HEFCMCLBSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000563086242 844526322 /nfs/dbraw/zinc/52/63/22/844526322.db2.gz FCYSBHNGZNDHLI-HEFCMCLBSA-N 2 1 381.923 3.509 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418493310 840327134 /nfs/dbraw/zinc/32/71/34/840327134.db2.gz QMKMGIIBQVHWML-QYZOEREBSA-N 2 1 380.536 3.511 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000416971379 840327792 /nfs/dbraw/zinc/32/77/92/840327792.db2.gz PRHKWFAIVIDAIP-QFIPXVFZSA-N 2 1 382.552 3.806 20 0 GHADMP CCc1ccc([C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[NH+](CC)CC)cc1 ZINC000580851720 840331316 /nfs/dbraw/zinc/33/13/16/840331316.db2.gz IWYOQCSMYRHVDE-QFIPXVFZSA-N 2 1 398.551 3.646 20 0 GHADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799135 844552389 /nfs/dbraw/zinc/55/23/89/844552389.db2.gz UATMBIMWUDSWRS-CXAGYDPISA-N 2 1 384.305 3.816 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000581083142 840677871 /nfs/dbraw/zinc/67/78/71/840677871.db2.gz WKJIGPMRXAUQMX-JOCHJYFZSA-N 2 1 383.580 3.589 20 0 GHADMP Cc1cc(NCc2ncc(C[NH+](C)C)s2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000511764614 840679201 /nfs/dbraw/zinc/67/92/01/840679201.db2.gz GYEFDKADBYMVMR-UHFFFAOYSA-N 2 1 387.597 3.656 20 0 GHADMP C[N@@H+](CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000047303379 840743100 /nfs/dbraw/zinc/74/31/00/840743100.db2.gz QJDLGGSMDNFNSM-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP C[C@H]1C[NH+](CCC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000548154320 840861045 /nfs/dbraw/zinc/86/10/45/840861045.db2.gz ULBUGSCIMAGFNI-GJZGRUSLSA-N 2 1 382.346 3.560 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581255663 840961736 /nfs/dbraw/zinc/96/17/36/840961736.db2.gz MELHMNXHPRNXQJ-IBGZPJMESA-N 2 1 389.927 3.987 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430559194 841092993 /nfs/dbraw/zinc/09/29/93/841092993.db2.gz ZYGGFJHBSJUANL-DHSIGJKJSA-N 2 1 384.351 3.716 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430559194 841092997 /nfs/dbraw/zinc/09/29/97/841092997.db2.gz ZYGGFJHBSJUANL-DHSIGJKJSA-N 2 1 384.351 3.716 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000044277109 841271131 /nfs/dbraw/zinc/27/11/31/841271131.db2.gz RFPGUKZNTVETMH-UHFFFAOYSA-N 2 1 380.536 3.796 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000500056579 841343535 /nfs/dbraw/zinc/34/35/35/841343535.db2.gz YRXYAGHHEMWCGG-HNNXBMFYSA-N 2 1 381.948 3.920 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000418042417 841425978 /nfs/dbraw/zinc/42/59/78/841425978.db2.gz LOZQPHFGGOMFEK-MBSDFSHPSA-N 2 1 380.536 3.560 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662728280 841496354 /nfs/dbraw/zinc/49/63/54/841496354.db2.gz MBEPYLITPWOCFW-UHFFFAOYSA-N 2 1 396.362 3.749 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000418148857 841571606 /nfs/dbraw/zinc/57/16/06/841571606.db2.gz AKYVZUOGMMFIAO-PGRDOPGGSA-N 2 1 394.563 3.806 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000418175958 841615706 /nfs/dbraw/zinc/61/57/06/841615706.db2.gz GKHQALAIJBXZNF-XNMUZJSGSA-N 2 1 392.975 3.647 20 0 GHADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000651817711 841649659 /nfs/dbraw/zinc/64/96/59/841649659.db2.gz XVZLORFROVVNPP-FGZHOGPDSA-N 2 1 388.596 3.956 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC001167825077 842037212 /nfs/dbraw/zinc/03/72/12/842037212.db2.gz JWBNTNXSVBGILB-AZUAARDMSA-N 2 1 395.542 3.525 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(Cc3cccc(C)c3)C2=O)C1 ZINC001167826351 842057735 /nfs/dbraw/zinc/05/77/35/842057735.db2.gz XLQWJMCMTZDSSV-QPPBQGQZSA-N 2 1 385.596 3.930 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(Br)c3)CC2)s1 ZINC000512008952 842110333 /nfs/dbraw/zinc/11/03/33/842110333.db2.gz RGVZXDMPRXOXRI-UHFFFAOYSA-N 2 1 380.355 3.789 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH3+])cc1F)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000652276482 842132860 /nfs/dbraw/zinc/13/28/60/842132860.db2.gz XOPALXAWOCCEOG-UTKZUKDTSA-N 2 1 398.526 3.651 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2Br)[C@H](C)C1 ZINC000177919379 861283034 /nfs/dbraw/zinc/28/30/34/861283034.db2.gz XCFAXVDAGGPVFT-AEFFLSMTSA-N 2 1 399.373 3.555 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000652334922 842269472 /nfs/dbraw/zinc/26/94/72/842269472.db2.gz UEIDGWSXMPCNAF-BQUSRXHISA-N 2 1 391.559 3.796 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000177978207 861291366 /nfs/dbraw/zinc/29/13/66/861291366.db2.gz CBCQEANYUIANDV-OAHLLOKOSA-N 2 1 379.346 3.664 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000652349102 842328180 /nfs/dbraw/zinc/32/81/80/842328180.db2.gz ALAAAEWJKNMFDT-KCZVDYSFSA-N 2 1 390.531 3.720 20 0 GHADMP COCCC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000278967085 842392464 /nfs/dbraw/zinc/39/24/64/842392464.db2.gz NBUKAKLRCAKNJQ-MAUKXSAKSA-N 2 1 392.341 3.966 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000796678030 842400765 /nfs/dbraw/zinc/40/07/65/842400765.db2.gz GMLXUEIVQMSZGN-YSIASYRMSA-N 2 1 397.604 3.549 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432257257 842413012 /nfs/dbraw/zinc/41/30/12/842413012.db2.gz GNIHOTFYAVKREM-INIZCTEOSA-N 2 1 383.294 3.989 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413107 842414275 /nfs/dbraw/zinc/41/42/75/842414275.db2.gz KGBURROUGMXPJM-DNVCBOLYSA-N 2 1 381.358 3.917 20 0 GHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423197 842451554 /nfs/dbraw/zinc/45/15/54/842451554.db2.gz WXJAOHADNHDIKB-RTBURBONSA-N 2 1 390.572 3.712 20 0 GHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423197 842451559 /nfs/dbraw/zinc/45/15/59/842451559.db2.gz WXJAOHADNHDIKB-RTBURBONSA-N 2 1 390.572 3.712 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471793547 842557588 /nfs/dbraw/zinc/55/75/88/842557588.db2.gz ODVZJOIUVVDKCU-RTWAWAEBSA-N 2 1 382.552 3.595 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471793542 842557820 /nfs/dbraw/zinc/55/78/20/842557820.db2.gz ODVZJOIUVVDKCU-NHCUHLMSSA-N 2 1 382.552 3.595 20 0 GHADMP Cc1ccc(C)c(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430688143 842563839 /nfs/dbraw/zinc/56/38/39/842563839.db2.gz VCVODDBKYHOPNV-UHFFFAOYSA-N 2 1 385.596 3.501 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000512129156 842591167 /nfs/dbraw/zinc/59/11/67/842591167.db2.gz UWCFEKNKKLWFKX-HNAYVOBHSA-N 2 1 397.485 3.855 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000248394536 842691059 /nfs/dbraw/zinc/69/10/59/842691059.db2.gz XWVLGAJDOYMONF-RTBURBONSA-N 2 1 395.950 3.851 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000248394536 842691064 /nfs/dbraw/zinc/69/10/64/842691064.db2.gz XWVLGAJDOYMONF-RTBURBONSA-N 2 1 395.950 3.851 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512174970 842750288 /nfs/dbraw/zinc/75/02/88/842750288.db2.gz IZGFHBBAHGKGCC-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000512176527 842758978 /nfs/dbraw/zinc/75/89/78/842758978.db2.gz ALOPVQQDEIUNDJ-SFHVURJKSA-N 2 1 396.535 3.749 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C2)CC1 ZINC000512176527 842758982 /nfs/dbraw/zinc/75/89/82/842758982.db2.gz ALOPVQQDEIUNDJ-SFHVURJKSA-N 2 1 396.535 3.749 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000471835685 842771297 /nfs/dbraw/zinc/77/12/97/842771297.db2.gz VXQKSGKGACZXDU-KNQAVFIVSA-N 2 1 390.531 3.550 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180568 842793515 /nfs/dbraw/zinc/79/35/15/842793515.db2.gz ONHVCMKSXJHVSU-MSOLQXFVSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180568 842793521 /nfs/dbraw/zinc/79/35/21/842793521.db2.gz ONHVCMKSXJHVSU-MSOLQXFVSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180568 842793527 /nfs/dbraw/zinc/79/35/27/842793527.db2.gz ONHVCMKSXJHVSU-MSOLQXFVSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180568 842793532 /nfs/dbraw/zinc/79/35/32/842793532.db2.gz ONHVCMKSXJHVSU-MSOLQXFVSA-N 2 1 396.535 3.892 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](n3cnc4c3CCCC4)C2)cc1)C1CC1 ZINC000430700314 842799334 /nfs/dbraw/zinc/79/93/34/842799334.db2.gz RPOPMAOHSPSAPM-NRFANRHFSA-N 2 1 392.547 3.833 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1)C1CC1 ZINC000430700314 842799338 /nfs/dbraw/zinc/79/93/38/842799338.db2.gz RPOPMAOHSPSAPM-NRFANRHFSA-N 2 1 392.547 3.833 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1)C1CC1 ZINC000430700314 842799345 /nfs/dbraw/zinc/79/93/45/842799345.db2.gz RPOPMAOHSPSAPM-NRFANRHFSA-N 2 1 392.547 3.833 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000891746809 842809330 /nfs/dbraw/zinc/80/93/30/842809330.db2.gz YIJGKHRRBBFEDO-UHFFFAOYSA-N 2 1 396.373 3.960 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000891746809 842809335 /nfs/dbraw/zinc/80/93/35/842809335.db2.gz YIJGKHRRBBFEDO-UHFFFAOYSA-N 2 1 396.373 3.960 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000891746809 842809341 /nfs/dbraw/zinc/80/93/41/842809341.db2.gz YIJGKHRRBBFEDO-UHFFFAOYSA-N 2 1 396.373 3.960 20 0 GHADMP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512183637 842817634 /nfs/dbraw/zinc/81/76/34/842817634.db2.gz VGVSIADDSQFIHJ-OAQYLSRUSA-N 2 1 388.552 3.572 20 0 GHADMP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512183637 842817640 /nfs/dbraw/zinc/81/76/40/842817640.db2.gz VGVSIADDSQFIHJ-OAQYLSRUSA-N 2 1 388.552 3.572 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606660055 842837014 /nfs/dbraw/zinc/83/70/14/842837014.db2.gz NMGUXVOTMPTVFX-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000474891676 861353050 /nfs/dbraw/zinc/35/30/50/861353050.db2.gz DYUOQXSXEWJZIH-NHCUHLMSSA-N 2 1 387.568 3.652 20 0 GHADMP COc1cc(Br)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000131844251 842964961 /nfs/dbraw/zinc/96/49/61/842964961.db2.gz QSVCNMVHJSBTJF-GOOCMWNKSA-N 2 1 383.330 3.571 20 0 GHADMP COc1cc(Br)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000131844251 842964974 /nfs/dbraw/zinc/96/49/74/842964974.db2.gz QSVCNMVHJSBTJF-GOOCMWNKSA-N 2 1 383.330 3.571 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3oc4ccccc4c3Br)C2)C1 ZINC000662286898 843075503 /nfs/dbraw/zinc/07/55/03/843075503.db2.gz SZFLIKRALKGZKO-JJRVBVJISA-N 2 1 393.325 3.914 20 0 GHADMP CC(C)c1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000663314576 843100649 /nfs/dbraw/zinc/10/06/49/843100649.db2.gz ANUCJFCAYMEVEY-HSZRJFAPSA-N 2 1 379.548 3.797 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000062426903 843107449 /nfs/dbraw/zinc/10/74/49/843107449.db2.gz JHYMEDHOXNXQOP-INIZCTEOSA-N 2 1 399.373 3.684 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000062426903 843107452 /nfs/dbraw/zinc/10/74/52/843107452.db2.gz JHYMEDHOXNXQOP-INIZCTEOSA-N 2 1 399.373 3.684 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663768648 843130658 /nfs/dbraw/zinc/13/06/58/843130658.db2.gz NQYCIJPVMRBYRG-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](C)C1 ZINC000663768648 843130667 /nfs/dbraw/zinc/13/06/67/843130667.db2.gz NQYCIJPVMRBYRG-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](C)C1 ZINC000663768648 843130673 /nfs/dbraw/zinc/13/06/73/843130673.db2.gz NQYCIJPVMRBYRG-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)N1CCc2ccccc21 ZINC000512236519 843177061 /nfs/dbraw/zinc/17/70/61/843177061.db2.gz ICXGNGGSTWPIEL-VWLOTQADSA-N 2 1 389.543 3.564 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc21 ZINC000512236519 843177067 /nfs/dbraw/zinc/17/70/67/843177067.db2.gz ICXGNGGSTWPIEL-VWLOTQADSA-N 2 1 389.543 3.564 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCc2ccccc21 ZINC000512236519 843177072 /nfs/dbraw/zinc/17/70/72/843177072.db2.gz ICXGNGGSTWPIEL-VWLOTQADSA-N 2 1 389.543 3.564 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2)CC1 ZINC000518531069 843290467 /nfs/dbraw/zinc/29/04/67/843290467.db2.gz GVXKRKTVGDRXKV-FYYLOGMGSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2cc3c(s2)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662467453 843295387 /nfs/dbraw/zinc/29/53/87/843295387.db2.gz BBQRUFKTQWRYRI-QFBILLFUSA-N 2 1 383.561 3.519 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1cccc(Cl)c1Cl ZINC000662485888 843323471 /nfs/dbraw/zinc/32/34/71/843323471.db2.gz UPUNDIVCUNLTNH-GLJUWKHASA-N 2 1 384.351 3.728 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1cccc(Cl)c1Cl ZINC000662485888 843323486 /nfs/dbraw/zinc/32/34/86/843323486.db2.gz UPUNDIVCUNLTNH-GLJUWKHASA-N 2 1 384.351 3.728 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662676581 843509676 /nfs/dbraw/zinc/50/96/76/843509676.db2.gz YLHRSIQYJPSJOQ-BTYIYWSLSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662676581 843509685 /nfs/dbraw/zinc/50/96/85/843509685.db2.gz YLHRSIQYJPSJOQ-BTYIYWSLSA-N 2 1 387.474 3.655 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662675609 843512243 /nfs/dbraw/zinc/51/22/43/843512243.db2.gz NBTIVIKFAOBDTD-OAQYLSRUSA-N 2 1 387.474 3.513 20 0 GHADMP CC[C@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418681260 843529968 /nfs/dbraw/zinc/52/99/68/843529968.db2.gz VIKDLPFZUZHJBP-GOTSBHOMSA-N 2 1 394.563 3.773 20 0 GHADMP [NH3+][C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(F)cc1F ZINC000662697832 843530948 /nfs/dbraw/zinc/53/09/48/843530948.db2.gz COHVVMSBAJOACE-OAQYLSRUSA-N 2 1 387.474 3.657 20 0 GHADMP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000731041197 861427036 /nfs/dbraw/zinc/42/70/36/861427036.db2.gz VPDMBOKGHFMONE-UOCRBVKVSA-N 2 1 377.532 3.577 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182376509 843542924 /nfs/dbraw/zinc/54/29/24/843542924.db2.gz STVIUSUHLCKSEW-UGKGYDQZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182376528 843542951 /nfs/dbraw/zinc/54/29/51/843542951.db2.gz STVIUSUHLCKSEW-KNQAVFIVSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182378687 843543633 /nfs/dbraw/zinc/54/36/33/843543633.db2.gz YIBYYZGRJCCDJA-PZJWPPBQSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468238 843672893 /nfs/dbraw/zinc/67/28/93/843672893.db2.gz KSDSSVGYRYYNHF-XLIONFOSSA-N 2 1 391.987 3.789 20 0 GHADMP CCOCCOc1ccc(Br)cc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253807 843753726 /nfs/dbraw/zinc/75/37/26/843753726.db2.gz CQPBFYCZZGVFOP-MRXNPFEDSA-N 2 1 399.373 3.638 20 0 GHADMP CC[C@@H]1C[NH+](Cc2cc(C[N@H+]3CCCO[C@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210719 843860116 /nfs/dbraw/zinc/86/01/16/843860116.db2.gz XJZSUYAGYHHNSN-FGZHOGPDSA-N 2 1 390.568 3.697 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000432819071 843958998 /nfs/dbraw/zinc/95/89/98/843958998.db2.gz NLDGELHZVPDJRZ-ZRCGQRJVSA-N 2 1 383.580 3.729 20 0 GHADMP C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684619806 844835243 /nfs/dbraw/zinc/83/52/43/844835243.db2.gz PTNBXTBRNVDMED-OAQYLSRUSA-N 2 1 391.987 3.729 20 0 GHADMP C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684619806 844835249 /nfs/dbraw/zinc/83/52/49/844835249.db2.gz PTNBXTBRNVDMED-OAQYLSRUSA-N 2 1 391.987 3.729 20 0 GHADMP CCO[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@@H](OCC)C3)cc(OC)c2)C1 ZINC000644994465 844839248 /nfs/dbraw/zinc/83/92/48/844839248.db2.gz XSQNREJYRJUMEO-FGZHOGPDSA-N 2 1 390.568 3.697 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512646857 844875177 /nfs/dbraw/zinc/87/51/77/844875177.db2.gz DQMNMHZBIPTTAV-BMXMUORJSA-N 2 1 383.580 3.524 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512647791 844879534 /nfs/dbraw/zinc/87/95/34/844879534.db2.gz JNMDOAGDEZIVND-RBZQAINGSA-N 2 1 391.559 3.827 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)F)CC1 ZINC000513203660 845045143 /nfs/dbraw/zinc/04/51/43/845045143.db2.gz IACYIICPDFMQPK-MBPVOVBZSA-N 2 1 380.523 3.856 20 0 GHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(OC4CCOCC4)c3)CC2)C1 ZINC000513214539 845059890 /nfs/dbraw/zinc/05/98/90/845059890.db2.gz YTNHEMLQOHJDPV-RXVVDRJESA-N 2 1 387.568 3.772 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000544193152 845099408 /nfs/dbraw/zinc/09/94/08/845099408.db2.gz DBUNNURQNRKKHG-FQEVSTJZSA-N 2 1 398.595 3.970 20 0 GHADMP CC(C)c1ccc([C@@H](CNC(=O)C2([NH3+])CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000236646397 845150171 /nfs/dbraw/zinc/15/01/71/845150171.db2.gz PSOQSDPPCGFVIS-LJQANCHMSA-N 2 1 383.561 3.578 20 0 GHADMP CC(C)c1ccc([C@@H](CNC(=O)C2([NH3+])CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000236646397 845150183 /nfs/dbraw/zinc/15/01/83/845150183.db2.gz PSOQSDPPCGFVIS-LJQANCHMSA-N 2 1 383.561 3.578 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000513390355 845341052 /nfs/dbraw/zinc/34/10/52/845341052.db2.gz OPSIDCJNRXFRES-BWAGFHJFSA-N 2 1 388.600 3.612 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(-n2cnnn2)cc1 ZINC000510995554 845346375 /nfs/dbraw/zinc/34/63/75/845346375.db2.gz FGTAHLBRPVDMTK-XMSQKQJNSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(-n2cnnn2)cc1 ZINC000510995554 845346392 /nfs/dbraw/zinc/34/63/92/845346392.db2.gz FGTAHLBRPVDMTK-XMSQKQJNSA-N 2 1 390.535 3.614 20 0 GHADMP Cc1cc(C(F)(F)F)cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000664014719 845361078 /nfs/dbraw/zinc/36/10/78/845361078.db2.gz DBGAVVOWCGCTFF-UHFFFAOYSA-N 2 1 379.426 3.848 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)c(C)n2n1 ZINC000179417349 861571340 /nfs/dbraw/zinc/57/13/40/861571340.db2.gz QZVOUUGGCHWVKV-AEFFLSMTSA-N 2 1 383.565 3.970 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)c(C)n2n1 ZINC000179417349 861571348 /nfs/dbraw/zinc/57/13/48/861571348.db2.gz QZVOUUGGCHWVKV-AEFFLSMTSA-N 2 1 383.565 3.970 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000513488605 845522137 /nfs/dbraw/zinc/52/21/37/845522137.db2.gz YIPSNTMLCJPMBE-PXNSSMCTSA-N 2 1 377.536 3.667 20 0 GHADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518827 845542933 /nfs/dbraw/zinc/54/29/33/845542933.db2.gz QKSVRFDCYCQZQP-DLBZAZTESA-N 2 1 375.582 3.980 20 0 GHADMP Cn1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C(F)(F)F ZINC000433180663 845617708 /nfs/dbraw/zinc/61/77/08/845617708.db2.gz YHYRPXBTZIZQIC-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP Cn1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1C(F)(F)F ZINC000433180663 845617712 /nfs/dbraw/zinc/61/77/12/845617712.db2.gz YHYRPXBTZIZQIC-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000481529635 861610962 /nfs/dbraw/zinc/61/09/62/861610962.db2.gz QJXBUBZQRHYAKH-ZJZGAYNASA-N 2 1 388.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(C(F)(F)F)cnn3C)cc2)C1 ZINC000657309180 845956622 /nfs/dbraw/zinc/95/66/22/845956622.db2.gz AZSWXHKUJJJVND-OAHLLOKOSA-N 2 1 380.458 3.961 20 0 GHADMP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657310123 845977411 /nfs/dbraw/zinc/97/74/11/845977411.db2.gz WMPIKAZQLGHHJX-UHFFFAOYSA-N 2 1 388.353 3.949 20 0 GHADMP COCCOCc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582094293 846303681 /nfs/dbraw/zinc/30/36/81/846303681.db2.gz DRWMRCCIJVXZDM-LOSJGSFVSA-N 2 1 394.559 3.804 20 0 GHADMP COCCOCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582094293 846303688 /nfs/dbraw/zinc/30/36/88/846303688.db2.gz DRWMRCCIJVXZDM-LOSJGSFVSA-N 2 1 394.559 3.804 20 0 GHADMP COCCOCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000582094293 846303700 /nfs/dbraw/zinc/30/37/00/846303700.db2.gz DRWMRCCIJVXZDM-LOSJGSFVSA-N 2 1 394.559 3.804 20 0 GHADMP C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000502700681 846360853 /nfs/dbraw/zinc/36/08/53/846360853.db2.gz DMGQWLKHOMBJJI-SFHVURJKSA-N 2 1 390.531 3.978 20 0 GHADMP C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000502700681 846360865 /nfs/dbraw/zinc/36/08/65/846360865.db2.gz DMGQWLKHOMBJJI-SFHVURJKSA-N 2 1 390.531 3.978 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502747348 846428059 /nfs/dbraw/zinc/42/80/59/846428059.db2.gz DYFRKGHILYODBG-RBUKOAKNSA-N 2 1 397.567 3.790 20 0 GHADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657354135 846472946 /nfs/dbraw/zinc/47/29/46/846472946.db2.gz QNLJDGRKJPZBOW-GOSISDBHSA-N 2 1 388.353 3.807 20 0 GHADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657354135 846472954 /nfs/dbraw/zinc/47/29/54/846472954.db2.gz QNLJDGRKJPZBOW-GOSISDBHSA-N 2 1 388.353 3.807 20 0 GHADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501022081 846557782 /nfs/dbraw/zinc/55/77/82/846557782.db2.gz HJKAYSKRIQPLRJ-UHFFFAOYSA-N 2 1 391.519 3.913 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000501063984 846594162 /nfs/dbraw/zinc/59/41/62/846594162.db2.gz SMCTZCHXXSBFNY-NRFANRHFSA-N 2 1 398.938 3.689 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501064370 846595816 /nfs/dbraw/zinc/59/58/16/846595816.db2.gz WAMKIWHHOFEDIU-ROUUACIJSA-N 2 1 398.526 3.635 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502884683 846595956 /nfs/dbraw/zinc/59/59/56/846595956.db2.gz IYUSSOJPIWHCDP-AYOQOUSVSA-N 2 1 383.939 3.755 20 0 GHADMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064419 846596097 /nfs/dbraw/zinc/59/60/97/846596097.db2.gz WTBBWTJPITXROS-RTBURBONSA-N 2 1 392.547 3.596 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CCN3c3ncccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044560 861713736 /nfs/dbraw/zinc/71/37/36/861713736.db2.gz FNUJQAOHKGTRHH-MNHFLQJXSA-N 2 1 391.563 3.573 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044560 861713749 /nfs/dbraw/zinc/71/37/49/861713749.db2.gz FNUJQAOHKGTRHH-MNHFLQJXSA-N 2 1 391.563 3.573 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCN3c3ncccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044560 861713759 /nfs/dbraw/zinc/71/37/59/861713759.db2.gz FNUJQAOHKGTRHH-MNHFLQJXSA-N 2 1 391.563 3.573 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCC1)c1ccccc1 ZINC000503080002 846782546 /nfs/dbraw/zinc/78/25/46/846782546.db2.gz DQCFYLQAFYFJKF-SESVDKBCSA-N 2 1 384.568 3.576 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[NH+](C2CCC2)CC1)C1CCCCC1 ZINC000503083341 846788954 /nfs/dbraw/zinc/78/89/54/846788954.db2.gz OBAAVGZZPPVPOU-UHFFFAOYSA-N 2 1 398.595 3.831 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000582360889 846948945 /nfs/dbraw/zinc/94/89/45/846948945.db2.gz XJDUSWQMKCBRTE-SFTDATJTSA-N 2 1 393.531 3.526 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501492350 846952691 /nfs/dbraw/zinc/95/26/91/846952691.db2.gz SXZBFWKNIRLVAE-QFIPXVFZSA-N 2 1 388.502 3.923 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000501613934 847058030 /nfs/dbraw/zinc/05/80/30/847058030.db2.gz GKAQCILYBICSGU-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000501613934 847058037 /nfs/dbraw/zinc/05/80/37/847058037.db2.gz GKAQCILYBICSGU-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000475004366 861752913 /nfs/dbraw/zinc/75/29/13/861752913.db2.gz RWPSIOLHWCCLSA-UNMCSNQZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000475004366 861752920 /nfs/dbraw/zinc/75/29/20/861752920.db2.gz RWPSIOLHWCCLSA-UNMCSNQZSA-N 2 1 387.543 3.515 20 0 GHADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420390939 847156699 /nfs/dbraw/zinc/15/66/99/847156699.db2.gz IARUXVHGRALZPG-JCKWVBRZSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420390939 847156703 /nfs/dbraw/zinc/15/67/03/847156703.db2.gz IARUXVHGRALZPG-JCKWVBRZSA-N 2 1 384.351 3.635 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894269535 847351997 /nfs/dbraw/zinc/35/19/97/847351997.db2.gz UDNFJJJGIFONLQ-ZCNNSNEGSA-N 2 1 376.516 3.510 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894269535 847352005 /nfs/dbraw/zinc/35/20/05/847352005.db2.gz UDNFJJJGIFONLQ-ZCNNSNEGSA-N 2 1 376.516 3.510 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC000126372160 847458631 /nfs/dbraw/zinc/45/86/31/847458631.db2.gz JAGFCVNTEMQBBU-OXJNMPFZSA-N 2 1 391.556 3.521 20 0 GHADMP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000422246125 847489907 /nfs/dbraw/zinc/48/99/07/847489907.db2.gz RIANZDBHEGJKGP-QBKZBJQZSA-N 2 1 386.584 3.726 20 0 GHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502152803 847524971 /nfs/dbraw/zinc/52/49/71/847524971.db2.gz JBLIBCDMYQLKSL-XUZZJYLKSA-N 2 1 398.595 3.559 20 0 GHADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1c(F)cccc1Cl ZINC000422796361 847826921 /nfs/dbraw/zinc/82/69/21/847826921.db2.gz JDYHZMGNFLYOKL-HZUJVAHNSA-N 2 1 376.903 3.713 20 0 GHADMP COc1cc2[nH]c(CCC[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2c(OC)c1 ZINC000422866339 847860585 /nfs/dbraw/zinc/86/05/85/847860585.db2.gz QEHDTKZSLCHBPD-IIBYNOLFSA-N 2 1 381.520 3.666 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422901282 847878778 /nfs/dbraw/zinc/87/87/78/847878778.db2.gz RVCDBCXPFWSJHC-ZCYQVOJMSA-N 2 1 391.559 3.805 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)[NH+](C)C)cc1 ZINC000611675668 847891818 /nfs/dbraw/zinc/89/18/18/847891818.db2.gz PNPMPAJJQYMCAF-XZOQPEGZSA-N 2 1 394.563 3.550 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)[NH+](C)C)cc1 ZINC000611675668 847891828 /nfs/dbraw/zinc/89/18/28/847891828.db2.gz PNPMPAJJQYMCAF-XZOQPEGZSA-N 2 1 394.563 3.550 20 0 GHADMP Fc1ccc(Br)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422947070 847910664 /nfs/dbraw/zinc/91/06/64/847910664.db2.gz PSCRHCLLSVAGOG-IEBWSBKVSA-N 2 1 391.284 3.934 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1I ZINC000423096052 847977051 /nfs/dbraw/zinc/97/70/51/847977051.db2.gz NWDGYXVADRVHHL-DLBZAZTESA-N 2 1 378.257 3.834 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Br)cn1 ZINC000423095884 847977163 /nfs/dbraw/zinc/97/71/63/847977163.db2.gz NJICIPXBTOEKKO-SOVGHPHASA-N 2 1 388.309 3.751 20 0 GHADMP CC(C)N1CC[C@H]([NH2+]CCCc2c[nH+]cn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000582733683 848207740 /nfs/dbraw/zinc/20/77/40/848207740.db2.gz KWWHFKXPLUDSEH-VQTJNVASSA-N 2 1 378.923 3.959 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3Cl)cc2)C1 ZINC000657597316 848282077 /nfs/dbraw/zinc/28/20/77/848282077.db2.gz TZOONFVJVNJCKJ-INIZCTEOSA-N 2 1 383.294 3.989 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccsc4)n3)cc2)C1 ZINC000657594674 848288976 /nfs/dbraw/zinc/28/89/76/848288976.db2.gz KGHXOYZVZSGIMS-LJQANCHMSA-N 2 1 385.558 3.728 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccsc4)n3)cc2)C1 ZINC000657594674 848288987 /nfs/dbraw/zinc/28/89/87/848288987.db2.gz KGHXOYZVZSGIMS-LJQANCHMSA-N 2 1 385.558 3.728 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000582783721 848369058 /nfs/dbraw/zinc/36/90/58/848369058.db2.gz RTNAAUYUTWFFBF-IFMALSPDSA-N 2 1 379.548 3.693 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000582815090 848455899 /nfs/dbraw/zinc/45/58/99/848455899.db2.gz AIXMOUDCAYCVQB-VXKWHMMOSA-N 2 1 388.939 3.774 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000582815090 848455904 /nfs/dbraw/zinc/45/59/04/848455904.db2.gz AIXMOUDCAYCVQB-VXKWHMMOSA-N 2 1 388.939 3.774 20 0 GHADMP C[C@@H](O)C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000121539149 848780272 /nfs/dbraw/zinc/78/02/72/848780272.db2.gz UPLUNNVIQXVPFY-KNQAVFIVSA-N 2 1 384.539 3.977 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000180106998 861956335 /nfs/dbraw/zinc/95/63/35/861956335.db2.gz DXIUWCXERXWSKQ-MOPGFXCFSA-N 2 1 381.358 3.727 20 0 GHADMP C[C@H](O)[C@@H]([NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1F ZINC000583089284 849043687 /nfs/dbraw/zinc/04/36/87/849043687.db2.gz NBNGUFLLSUDHSS-XUEUYAKLSA-N 2 1 384.495 3.825 20 0 GHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)CC3 ZINC000123117178 849062831 /nfs/dbraw/zinc/06/28/31/849062831.db2.gz BMHOXBGVZSQUKQ-QGZVFWFLSA-N 2 1 387.487 3.713 20 0 GHADMP CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732007495 862005536 /nfs/dbraw/zinc/00/55/36/862005536.db2.gz YJTMYVZFQNGTKM-OAQYLSRUSA-N 2 1 395.547 3.502 20 0 GHADMP Fc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657751890 849644344 /nfs/dbraw/zinc/64/43/44/849644344.db2.gz VIEQZVFJFWIJRI-NRFANRHFSA-N 2 1 384.495 3.748 20 0 GHADMP CC[C@@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423191888 849798036 /nfs/dbraw/zinc/79/80/36/849798036.db2.gz TXRYDUYYSUOVKD-MOPGFXCFSA-N 2 1 380.374 3.534 20 0 GHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423333042 849870139 /nfs/dbraw/zinc/87/01/39/849870139.db2.gz NUMGQPVQJXDDOD-BAGYTPMASA-N 2 1 398.547 3.769 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)sc1Cl ZINC000423374622 849877968 /nfs/dbraw/zinc/87/79/68/849877968.db2.gz CMTPAUWUEMUXAH-PSASIEDQSA-N 2 1 376.275 3.542 20 0 GHADMP C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423357395 849882813 /nfs/dbraw/zinc/88/28/13/849882813.db2.gz AIHJKLBVBDUECC-COFNMNJVSA-N 2 1 399.529 3.911 20 0 GHADMP Clc1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423508421 849949213 /nfs/dbraw/zinc/94/92/13/849949213.db2.gz LEWMSAIIQLZPJO-QBKZBJQZSA-N 2 1 375.988 3.857 20 0 GHADMP NC1(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC[NH+](Cc2ccccc2)CC1 ZINC000423533481 849960130 /nfs/dbraw/zinc/96/01/30/849960130.db2.gz XNUATTPMLQNUKW-GOSISDBHSA-N 2 1 389.465 3.674 20 0 GHADMP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000505592844 850026148 /nfs/dbraw/zinc/02/61/48/850026148.db2.gz VJDRTKVQDSOHCR-KDOFPFPSSA-N 2 1 399.445 3.626 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000514602880 850046594 /nfs/dbraw/zinc/04/65/94/850046594.db2.gz GWGGZUBTSHWNEQ-KDURUIRLSA-N 2 1 382.552 3.745 20 0 GHADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[NH+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487049378 850413735 /nfs/dbraw/zinc/41/37/35/850413735.db2.gz SLYJZFBAHHNOCM-MWLKLMTCSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[NH+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487049378 850413741 /nfs/dbraw/zinc/41/37/41/850413741.db2.gz SLYJZFBAHHNOCM-MWLKLMTCSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487049378 850413745 /nfs/dbraw/zinc/41/37/45/850413745.db2.gz SLYJZFBAHHNOCM-MWLKLMTCSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487049378 850413750 /nfs/dbraw/zinc/41/37/50/850413750.db2.gz SLYJZFBAHHNOCM-MWLKLMTCSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(-c3ccc(Cl)cc3Cl)nn1)CC[NH2+]CC2 ZINC000424380074 850419606 /nfs/dbraw/zinc/41/96/06/850419606.db2.gz PHJRTMUAWXIGCH-CYBMUJFWSA-N 2 1 380.323 3.538 20 0 GHADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435377155 850441235 /nfs/dbraw/zinc/44/12/35/850441235.db2.gz YMYMEEKXAZUXFR-AIZNXBIQSA-N 2 1 387.531 3.708 20 0 GHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435377155 850441238 /nfs/dbraw/zinc/44/12/38/850441238.db2.gz YMYMEEKXAZUXFR-AIZNXBIQSA-N 2 1 387.531 3.708 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000518978811 850447519 /nfs/dbraw/zinc/44/75/19/850447519.db2.gz DPHNKUAEXMMQKF-IRLDBZIGSA-N 2 1 386.584 3.777 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000424428047 850462941 /nfs/dbraw/zinc/46/29/41/850462941.db2.gz RNWKHKDIWWCQIS-NRFANRHFSA-N 2 1 380.536 3.876 20 0 GHADMP CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435622954 850707702 /nfs/dbraw/zinc/70/77/02/850707702.db2.gz FXUYYEDYSROALO-UGKGYDQZSA-N 2 1 385.577 3.726 20 0 GHADMP CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435622954 850707707 /nfs/dbraw/zinc/70/77/07/850707707.db2.gz FXUYYEDYSROALO-UGKGYDQZSA-N 2 1 385.577 3.726 20 0 GHADMP CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435622953 850707721 /nfs/dbraw/zinc/70/77/21/850707721.db2.gz FXUYYEDYSROALO-SIKLNZKXSA-N 2 1 385.577 3.726 20 0 GHADMP CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435622953 850707889 /nfs/dbraw/zinc/70/78/89/850707889.db2.gz FXUYYEDYSROALO-SIKLNZKXSA-N 2 1 385.577 3.726 20 0 GHADMP CSc1ccccc1NC(=O)CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435626894 850722144 /nfs/dbraw/zinc/72/21/44/850722144.db2.gz LWSKARDTKMPMOC-IBGZPJMESA-N 2 1 398.576 3.776 20 0 GHADMP CSc1ccccc1NC(=O)CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435626894 850722155 /nfs/dbraw/zinc/72/21/55/850722155.db2.gz LWSKARDTKMPMOC-IBGZPJMESA-N 2 1 398.576 3.776 20 0 GHADMP CCOc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000487565323 850726452 /nfs/dbraw/zinc/72/64/52/850726452.db2.gz YBCYCFOUVWLWOK-FQEVSTJZSA-N 2 1 388.939 3.985 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1F ZINC000435692447 850772510 /nfs/dbraw/zinc/77/25/10/850772510.db2.gz JXHARLPTAIUGFB-IBGZPJMESA-N 2 1 387.524 3.860 20 0 GHADMP Clc1cccc(OCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435696046 850776268 /nfs/dbraw/zinc/77/62/68/850776268.db2.gz SZMYFOZSENAATL-KRWDZBQOSA-N 2 1 377.941 3.820 20 0 GHADMP Clc1cccc(OCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435696046 850776277 /nfs/dbraw/zinc/77/62/77/850776277.db2.gz SZMYFOZSENAATL-KRWDZBQOSA-N 2 1 377.941 3.820 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccc(Cl)cc1 ZINC000515219776 850802152 /nfs/dbraw/zinc/80/21/52/850802152.db2.gz ITQMJNBKSFJAPR-UXHICEINSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccc(Cl)cc1 ZINC000515219776 850802156 /nfs/dbraw/zinc/80/21/56/850802156.db2.gz ITQMJNBKSFJAPR-UXHICEINSA-N 2 1 384.911 3.553 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000515383117 850972027 /nfs/dbraw/zinc/97/20/27/850972027.db2.gz SARYGLPLISSJJP-KCZVDYSFSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000515383117 850972038 /nfs/dbraw/zinc/97/20/38/850972038.db2.gz SARYGLPLISSJJP-KCZVDYSFSA-N 2 1 385.596 3.661 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000555927681 862207051 /nfs/dbraw/zinc/20/70/51/862207051.db2.gz FJOMSSZNLRDOSK-WOJBJXKFSA-N 2 1 384.430 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000555927681 862207068 /nfs/dbraw/zinc/20/70/68/862207068.db2.gz FJOMSSZNLRDOSK-WOJBJXKFSA-N 2 1 384.430 3.566 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168374166 851143717 /nfs/dbraw/zinc/14/37/17/851143717.db2.gz WYBWDRPFJRZSKD-JOCHJYFZSA-N 2 1 377.573 3.584 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCC2)cc1Br ZINC000414877029 851143959 /nfs/dbraw/zinc/14/39/59/851143959.db2.gz FGWYUJMIPNCGEJ-UHFFFAOYSA-N 2 1 392.135 3.581 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436289503 851423195 /nfs/dbraw/zinc/42/31/95/851423195.db2.gz XEHGYXIELRMKTG-LGKPFJOYSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436289503 851423202 /nfs/dbraw/zinc/42/32/02/851423202.db2.gz XEHGYXIELRMKTG-LGKPFJOYSA-N 2 1 383.580 3.668 20 0 GHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436313720 851447361 /nfs/dbraw/zinc/44/73/61/851447361.db2.gz LYYCXSCOURBTTN-IRXDYDNUSA-N 2 1 376.850 3.826 20 0 GHADMP C[C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+]1CCCC[C@H]1C ZINC000514241930 851459639 /nfs/dbraw/zinc/45/96/39/851459639.db2.gz OKOTWPJMRSVTJR-QZTJIDSGSA-N 2 1 392.613 3.522 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(SC(C)C)cc1 ZINC000505791698 851467032 /nfs/dbraw/zinc/46/70/32/851467032.db2.gz ZALRDRLTHIKLCE-IBGZPJMESA-N 2 1 377.598 3.675 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000110977678 851505204 /nfs/dbraw/zinc/50/52/04/851505204.db2.gz ROXLCXGMQMRNHE-WVUPVLJSSA-N 2 1 377.532 3.601 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000110977678 851505211 /nfs/dbraw/zinc/50/52/11/851505211.db2.gz ROXLCXGMQMRNHE-WVUPVLJSSA-N 2 1 377.532 3.601 20 0 GHADMP CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488514076 851578954 /nfs/dbraw/zinc/57/89/54/851578954.db2.gz MRNVQKPKDGJCFL-OAQYLSRUSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412715 851581670 /nfs/dbraw/zinc/58/16/70/851581670.db2.gz NFVLNJSZNPOJFS-IAGOWNOFSA-N 2 1 379.495 3.880 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412715 851581677 /nfs/dbraw/zinc/58/16/77/851581677.db2.gz NFVLNJSZNPOJFS-IAGOWNOFSA-N 2 1 379.495 3.880 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412715 851581681 /nfs/dbraw/zinc/58/16/81/851581681.db2.gz NFVLNJSZNPOJFS-IAGOWNOFSA-N 2 1 379.495 3.880 20 0 GHADMP O=C(c1ccccc1F)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975449 851779104 /nfs/dbraw/zinc/77/91/04/851779104.db2.gz PJNRENGIWUMQBU-SEJPIABJSA-N 2 1 399.554 3.673 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000894658169 851833517 /nfs/dbraw/zinc/83/35/17/851833517.db2.gz RQJBDMANDVDZRI-QFIPXVFZSA-N 2 1 398.595 3.603 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000489070485 851967715 /nfs/dbraw/zinc/96/77/15/851967715.db2.gz AGDIOEFKUCEVRS-KNQAVFIVSA-N 2 1 386.584 3.633 20 0 GHADMP CC(C)Oc1cccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000517538690 852068362 /nfs/dbraw/zinc/06/83/62/852068362.db2.gz JHHYAMJBZYREKQ-XMMPIXPASA-N 2 1 381.564 3.942 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282477434 862323002 /nfs/dbraw/zinc/32/30/02/862323002.db2.gz PVCQQPJAJJBWBT-WTIAFYNJSA-N 2 1 392.547 3.793 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282477434 862323017 /nfs/dbraw/zinc/32/30/17/862323017.db2.gz PVCQQPJAJJBWBT-WTIAFYNJSA-N 2 1 392.547 3.793 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517640242 852197874 /nfs/dbraw/zinc/19/78/74/852197874.db2.gz XXKZPTAAFPRSTA-ACIOBRDBSA-N 2 1 382.548 3.686 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517640242 852197878 /nfs/dbraw/zinc/19/78/78/852197878.db2.gz XXKZPTAAFPRSTA-ACIOBRDBSA-N 2 1 382.548 3.686 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(C[NH+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489355346 852263309 /nfs/dbraw/zinc/26/33/09/852263309.db2.gz CANGHPXRNQMWDW-LWSSLDFYSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000506917243 852331113 /nfs/dbraw/zinc/33/11/13/852331113.db2.gz LPNNDOGBNCZPPR-URVUXULASA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H](Nc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268741 852365924 /nfs/dbraw/zinc/36/59/24/852365924.db2.gz QZTNJPWUUCPVKE-ZJSXRUAMSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H](Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516268741 852365929 /nfs/dbraw/zinc/36/59/29/852365929.db2.gz QZTNJPWUUCPVKE-ZJSXRUAMSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H](Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268741 852365934 /nfs/dbraw/zinc/36/59/34/852365934.db2.gz QZTNJPWUUCPVKE-ZJSXRUAMSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000489852650 852609302 /nfs/dbraw/zinc/60/93/02/852609302.db2.gz RCVWVXPABRMJOD-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000489980032 852704354 /nfs/dbraw/zinc/70/43/54/852704354.db2.gz JJHDHCDEWMQLFX-DEOSSOPVSA-N 2 1 391.559 3.729 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000489980032 852704360 /nfs/dbraw/zinc/70/43/60/852704360.db2.gz JJHDHCDEWMQLFX-DEOSSOPVSA-N 2 1 391.559 3.729 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000489980032 852704370 /nfs/dbraw/zinc/70/43/70/852704370.db2.gz JJHDHCDEWMQLFX-DEOSSOPVSA-N 2 1 391.559 3.729 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000506334964 852778733 /nfs/dbraw/zinc/77/87/33/852778733.db2.gz MNTPLNPNRXGXNU-JOCHJYFZSA-N 2 1 392.632 3.652 20 0 GHADMP CCc1[nH+]c2ccccc2c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000516800960 853024003 /nfs/dbraw/zinc/02/40/03/853024003.db2.gz YIPIGWMJSOIHTR-YOFSQIOKSA-N 2 1 378.564 3.853 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000506441056 853091209 /nfs/dbraw/zinc/09/12/09/853091209.db2.gz PWNHNFRYVKWNPZ-MOPGFXCFSA-N 2 1 389.609 3.609 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000506441056 853091215 /nfs/dbraw/zinc/09/12/15/853091215.db2.gz PWNHNFRYVKWNPZ-MOPGFXCFSA-N 2 1 389.609 3.609 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000506441056 853091224 /nfs/dbraw/zinc/09/12/24/853091224.db2.gz PWNHNFRYVKWNPZ-MOPGFXCFSA-N 2 1 389.609 3.609 20 0 GHADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490765441 853242805 /nfs/dbraw/zinc/24/28/05/853242805.db2.gz BBEZJPFKCKRGBJ-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H]3C(=O)N(C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047142 862443735 /nfs/dbraw/zinc/44/37/35/862443735.db2.gz PXJMDZCFTKWNCF-NPDDRXJXSA-N 2 1 383.580 3.618 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000437643534 853356046 /nfs/dbraw/zinc/35/60/46/853356046.db2.gz SNNAKSFYXOXTKV-JOCHJYFZSA-N 2 1 390.616 3.737 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490965911 853375591 /nfs/dbraw/zinc/37/55/91/853375591.db2.gz OAFWYGIRBFGDFW-NFBKMPQASA-N 2 1 379.548 3.937 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490965911 853375597 /nfs/dbraw/zinc/37/55/97/853375597.db2.gz OAFWYGIRBFGDFW-NFBKMPQASA-N 2 1 379.548 3.937 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000439273976 853500769 /nfs/dbraw/zinc/50/07/69/853500769.db2.gz NKNSIXIIFZBMDW-PKTZIBPZSA-N 2 1 398.595 3.831 20 0 GHADMP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CCO1 ZINC000664658219 853531659 /nfs/dbraw/zinc/53/16/59/853531659.db2.gz QKBWMFCBDZKTGL-HNNXBMFYSA-N 2 1 378.314 3.544 20 0 GHADMP CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517301888 853636272 /nfs/dbraw/zinc/63/62/72/853636272.db2.gz VIYXYPBKZFYLSU-OAQYLSRUSA-N 2 1 396.535 3.753 20 0 GHADMP COc1cc(C(F)(F)F)ccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212144946 853666845 /nfs/dbraw/zinc/66/68/45/853666845.db2.gz HUIQVEQMLCZRIL-AWEZNQCLSA-N 2 1 386.418 3.932 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC001168378528 853800889 /nfs/dbraw/zinc/80/08/89/853800889.db2.gz OWHNYCPXDCBOLP-NQIIRXRSSA-N 2 1 394.538 3.672 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000441162031 853958173 /nfs/dbraw/zinc/95/81/73/853958173.db2.gz CMJLUINMBJTYJJ-FRHQNKJESA-N 2 1 383.580 3.933 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(C(F)(F)F)c1 ZINC000441211511 854002753 /nfs/dbraw/zinc/00/27/53/854002753.db2.gz YTNRFJJTDCIENC-BHIYHBOVSA-N 2 1 386.458 3.658 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000441345761 854137535 /nfs/dbraw/zinc/13/75/35/854137535.db2.gz HOUZGQSFMDKZGV-HZPDHXFCSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000441345761 854137542 /nfs/dbraw/zinc/13/75/42/854137542.db2.gz HOUZGQSFMDKZGV-HZPDHXFCSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000441345761 854137547 /nfs/dbraw/zinc/13/75/47/854137547.db2.gz HOUZGQSFMDKZGV-HZPDHXFCSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000441345761 854137551 /nfs/dbraw/zinc/13/75/51/854137551.db2.gz HOUZGQSFMDKZGV-HZPDHXFCSA-N 2 1 375.340 3.539 20 0 GHADMP Cc1ccc(COc2ccc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cc2)cc1 ZINC000441353133 854172499 /nfs/dbraw/zinc/17/24/99/854172499.db2.gz GJYBZBGXLPOZCL-UHFFFAOYSA-N 2 1 381.564 3.690 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441406230 854203314 /nfs/dbraw/zinc/20/33/14/854203314.db2.gz XDJSFJMRIDRVSD-ZEYPLWLESA-N 2 1 386.580 3.673 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441406230 854203319 /nfs/dbraw/zinc/20/33/19/854203319.db2.gz XDJSFJMRIDRVSD-ZEYPLWLESA-N 2 1 386.580 3.673 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441406230 854203323 /nfs/dbraw/zinc/20/33/23/854203323.db2.gz XDJSFJMRIDRVSD-ZEYPLWLESA-N 2 1 386.580 3.673 20 0 GHADMP COc1cc(NC(=O)CC[NH2+]CC(C)(C)[NH+]2CCCCC2)c(OC)cc1Cl ZINC000572029921 854337841 /nfs/dbraw/zinc/33/78/41/854337841.db2.gz BKXPYGBDVFEDCL-UHFFFAOYSA-N 2 1 397.947 3.540 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)cc3Br)CC2)C[C@H](C)O1 ZINC000588710696 854369918 /nfs/dbraw/zinc/36/99/18/854369918.db2.gz UXCQEOZBZGCVRY-GJZGRUSLSA-N 2 1 399.348 3.909 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000572149622 854388513 /nfs/dbraw/zinc/38/85/13/854388513.db2.gz MIGLLIIQUHXRLK-NQHRYMMQSA-N 2 1 396.575 3.783 20 0 GHADMP COC1CC[NH+](C2(CN[C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CCCC2)CC1 ZINC000572467964 854537277 /nfs/dbraw/zinc/53/72/77/854537277.db2.gz PZOCXBAHRWBKSH-FYYLOGMGSA-N 2 1 385.596 3.835 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000068582557 854601158 /nfs/dbraw/zinc/60/11/58/854601158.db2.gz IYTSQLPNKQXDQH-IBGZPJMESA-N 2 1 392.563 3.554 20 0 GHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000074220850 854740775 /nfs/dbraw/zinc/74/07/75/854740775.db2.gz KNFGPCWOWDTPLP-NRFANRHFSA-N 2 1 382.552 3.767 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000074220850 854740778 /nfs/dbraw/zinc/74/07/78/854740778.db2.gz KNFGPCWOWDTPLP-NRFANRHFSA-N 2 1 382.552 3.767 20 0 GHADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3CCn4cc(C)[nH+]c4C3)n2)cc1 ZINC000624441818 854806799 /nfs/dbraw/zinc/80/67/99/854806799.db2.gz ZVSWJGKGEOBSRF-GOSISDBHSA-N 2 1 395.507 3.692 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000482021225 862615454 /nfs/dbraw/zinc/61/54/54/862615454.db2.gz LFCUNUMVRZBCKA-QFIPXVFZSA-N 2 1 383.536 3.690 20 0 GHADMP CC1([NH+]2CCOCC2)CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000624604985 854941714 /nfs/dbraw/zinc/94/17/14/854941714.db2.gz UKPNUHOIDMAXAD-UHFFFAOYSA-N 2 1 379.426 3.945 20 0 GHADMP Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482035891 862629433 /nfs/dbraw/zinc/62/94/33/862629433.db2.gz UGMZMMVJYHYHIV-QHCPKHFHSA-N 2 1 394.563 3.767 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465615138 855016028 /nfs/dbraw/zinc/01/60/28/855016028.db2.gz HODNYXPXARWUCQ-HSZRJFAPSA-N 2 1 398.595 3.736 20 0 GHADMP c1ccc2c(c1)CN(c1cc[nH+]c(NCC3CCN(c4cc[nH+]cc4)CC3)n1)C2 ZINC000624082847 862632822 /nfs/dbraw/zinc/63/28/22/862632822.db2.gz PVDNDUONVPUPJG-UHFFFAOYSA-N 2 1 386.503 3.720 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656989 855077479 /nfs/dbraw/zinc/07/74/79/855077479.db2.gz HGXJTEDAEBIXIR-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656989 855077488 /nfs/dbraw/zinc/07/74/88/855077488.db2.gz HGXJTEDAEBIXIR-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1OC ZINC000520467217 855099520 /nfs/dbraw/zinc/09/95/20/855099520.db2.gz HJIOVTOLDPUDRW-FCHUYYIVSA-N 2 1 380.532 3.966 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1OC ZINC000520467217 855099527 /nfs/dbraw/zinc/09/95/27/855099527.db2.gz HJIOVTOLDPUDRW-FCHUYYIVSA-N 2 1 380.532 3.966 20 0 GHADMP COc1ccccc1-c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000666048646 855116161 /nfs/dbraw/zinc/11/61/61/855116161.db2.gz ZAAIVOMVHNATPO-SFHVURJKSA-N 2 1 398.551 3.756 20 0 GHADMP COc1ccccc1-c1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666048646 855116164 /nfs/dbraw/zinc/11/61/64/855116164.db2.gz ZAAIVOMVHNATPO-SFHVURJKSA-N 2 1 398.551 3.756 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000590006354 855222423 /nfs/dbraw/zinc/22/24/23/855222423.db2.gz UEHXRKFBMADEBA-PKTZIBPZSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000590006354 855222431 /nfs/dbraw/zinc/22/24/31/855222431.db2.gz UEHXRKFBMADEBA-PKTZIBPZSA-N 2 1 395.547 3.641 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CC1 ZINC000590151380 855299702 /nfs/dbraw/zinc/29/97/02/855299702.db2.gz ZXOCRDJMORFUFX-LJQANCHMSA-N 2 1 392.613 3.647 20 0 GHADMP CC[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000459083829 855426643 /nfs/dbraw/zinc/42/66/43/855426643.db2.gz BFICPCOKGUVYIO-QFIPXVFZSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080054685 855428392 /nfs/dbraw/zinc/42/83/92/855428392.db2.gz UVOSXZFHIPPGMX-MJGOQNOKSA-N 2 1 386.584 3.648 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572964368 855468564 /nfs/dbraw/zinc/46/85/64/855468564.db2.gz INLCAOZUHIQEMW-VWLOTQADSA-N 2 1 391.559 3.577 20 0 GHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000590778130 855579298 /nfs/dbraw/zinc/57/92/98/855579298.db2.gz GALUTXXWANSDEA-GIRPNKPCSA-N 2 1 382.573 3.957 20 0 GHADMP COc1ccc([C@H]2C[C@H]([NH+]3CCC4(CCn5c(C)c[nH+]c54)CC3)CCO2)cc1 ZINC001168643207 855647318 /nfs/dbraw/zinc/64/73/18/855647318.db2.gz CZHUHIJMJSYGDM-TZIWHRDSSA-N 2 1 381.520 3.858 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001168004155 855737529 /nfs/dbraw/zinc/73/75/29/855737529.db2.gz RJPYXKILQFNWPV-XMQIDUTNSA-N 2 1 379.592 3.846 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]3C2)cc1 ZINC001168004155 855737533 /nfs/dbraw/zinc/73/75/33/855737533.db2.gz RJPYXKILQFNWPV-XMQIDUTNSA-N 2 1 379.592 3.846 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]3C2)cc1 ZINC001168004155 855737537 /nfs/dbraw/zinc/73/75/37/855737537.db2.gz RJPYXKILQFNWPV-XMQIDUTNSA-N 2 1 379.592 3.846 20 0 GHADMP O=C1NCC[C@@H]1CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000520604791 855773881 /nfs/dbraw/zinc/77/38/81/855773881.db2.gz YASGCEPQUBSYJM-PKTZIBPZSA-N 2 1 383.580 3.669 20 0 GHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000482139387 862725544 /nfs/dbraw/zinc/72/55/44/862725544.db2.gz DCNYEVURSOMOKL-WBVHZDCISA-N 2 1 396.373 3.878 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000591436816 855985762 /nfs/dbraw/zinc/98/57/62/855985762.db2.gz CXUOOLZJKIQAQO-IBGZPJMESA-N 2 1 399.579 3.544 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465799190 856066130 /nfs/dbraw/zinc/06/61/30/856066130.db2.gz UDPBINHDWLNQHZ-FXAWDEMLSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465799190 856066137 /nfs/dbraw/zinc/06/61/37/856066137.db2.gz UDPBINHDWLNQHZ-FXAWDEMLSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465799190 856066145 /nfs/dbraw/zinc/06/61/45/856066145.db2.gz UDPBINHDWLNQHZ-FXAWDEMLSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000591544710 856099905 /nfs/dbraw/zinc/09/99/05/856099905.db2.gz MXBLHGZKHDCZDK-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000542846526 856116960 /nfs/dbraw/zinc/11/69/60/856116960.db2.gz MINVASSMBOMFAD-FOVJLYNBSA-N 2 1 380.532 3.511 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000485219426 856230745 /nfs/dbraw/zinc/23/07/45/856230745.db2.gz ONQRHWVYXHBJAH-ZJZGAYNASA-N 2 1 390.575 3.941 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000032695264 856251017 /nfs/dbraw/zinc/25/10/17/856251017.db2.gz SBQYGQHWMDYCEU-JOCHJYFZSA-N 2 1 395.547 3.714 20 0 GHADMP CC(C)c1ccc(CN(C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C2CC2)cc1 ZINC000485340568 856383541 /nfs/dbraw/zinc/38/35/41/856383541.db2.gz KRLAJZBRAXHKMM-FYYLOGMGSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C2CC2)cc1 ZINC000485340568 856383545 /nfs/dbraw/zinc/38/35/45/856383545.db2.gz KRLAJZBRAXHKMM-FYYLOGMGSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C2CC2)cc1 ZINC000485340568 856383557 /nfs/dbraw/zinc/38/35/57/856383557.db2.gz KRLAJZBRAXHKMM-FYYLOGMGSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C2CC2)cc1 ZINC000485340568 856383564 /nfs/dbraw/zinc/38/35/64/856383564.db2.gz KRLAJZBRAXHKMM-FYYLOGMGSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C2CC2)cc1 ZINC000485340568 856383578 /nfs/dbraw/zinc/38/35/78/856383578.db2.gz KRLAJZBRAXHKMM-FYYLOGMGSA-N 2 1 383.580 3.717 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1nc2ccccc2s1 ZINC000185671567 856404879 /nfs/dbraw/zinc/40/48/79/856404879.db2.gz GJKPXTDQJBMNFZ-HRCADAONSA-N 2 1 386.565 3.866 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1nc2ccccc2s1 ZINC000185671567 856404882 /nfs/dbraw/zinc/40/48/82/856404882.db2.gz GJKPXTDQJBMNFZ-HRCADAONSA-N 2 1 386.565 3.866 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1 ZINC000485397796 856442945 /nfs/dbraw/zinc/44/29/45/856442945.db2.gz CMLFYVWSTGWRTG-WOJBJXKFSA-N 2 1 388.600 3.879 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485405414 856463298 /nfs/dbraw/zinc/46/32/98/856463298.db2.gz QUFFBJZLUVJBSM-LRXVAGHRSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485405414 856463300 /nfs/dbraw/zinc/46/33/00/856463300.db2.gz QUFFBJZLUVJBSM-LRXVAGHRSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042929738 856473137 /nfs/dbraw/zinc/47/31/37/856473137.db2.gz XCJQZLCNARNYPF-FQEVSTJZSA-N 2 1 386.584 3.605 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000485425632 856483751 /nfs/dbraw/zinc/48/37/51/856483751.db2.gz HQPPJFNLCZJWKE-INIZCTEOSA-N 2 1 383.458 3.698 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000485425632 856483757 /nfs/dbraw/zinc/48/37/57/856483757.db2.gz HQPPJFNLCZJWKE-INIZCTEOSA-N 2 1 383.458 3.698 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000485425632 856483765 /nfs/dbraw/zinc/48/37/65/856483765.db2.gz HQPPJFNLCZJWKE-INIZCTEOSA-N 2 1 383.458 3.698 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000573861063 856576426 /nfs/dbraw/zinc/57/64/26/856576426.db2.gz RDWKNMYJTBCDIL-UHFFFAOYSA-N 2 1 399.623 3.839 20 0 GHADMP COc1ccnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1OC ZINC000485481007 856656646 /nfs/dbraw/zinc/65/66/46/856656646.db2.gz OLBUPHRFUAPJMM-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000281054564 862824309 /nfs/dbraw/zinc/82/43/09/862824309.db2.gz RFSNKSPJXYHFBY-UHFFFAOYSA-N 2 1 395.547 3.917 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000573979465 856838698 /nfs/dbraw/zinc/83/86/98/856838698.db2.gz QBTJYUJUZFYMNU-VWLOTQADSA-N 2 1 393.575 3.736 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC3([NH3+])CCCC3)s2)cc1OC ZINC000665248766 856844437 /nfs/dbraw/zinc/84/44/37/856844437.db2.gz BYOIZAXXADSLIX-AWEZNQCLSA-N 2 1 389.565 3.982 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCCC1)c1ccccc1 ZINC000485782006 857088173 /nfs/dbraw/zinc/08/81/73/857088173.db2.gz ZVKYFHFLBWOTQT-KSEOMHKRSA-N 2 1 398.595 3.776 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000474025059 857157453 /nfs/dbraw/zinc/15/74/53/857157453.db2.gz SACFKCXXAZLUCJ-DENIHFKCSA-N 2 1 386.584 3.728 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1SC(F)F ZINC000282192038 857210985 /nfs/dbraw/zinc/21/09/85/857210985.db2.gz GHYJHVILMNLWHH-AWEZNQCLSA-N 2 1 387.540 3.687 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000187009501 862908110 /nfs/dbraw/zinc/90/81/10/862908110.db2.gz RQVOOWSFPSEKTK-WIYYLYMNSA-N 2 1 386.536 3.636 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(C)c(C)cc23)[C@H](C)C1 ZINC000187009501 862908118 /nfs/dbraw/zinc/90/81/18/862908118.db2.gz RQVOOWSFPSEKTK-WIYYLYMNSA-N 2 1 386.536 3.636 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474030424 857440029 /nfs/dbraw/zinc/44/00/29/857440029.db2.gz NBBOIHJVQSBKPO-YUVSOPLDSA-N 2 1 398.595 3.877 20 0 GHADMP Cc1cc(C)cc(OCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000671720222 857469666 /nfs/dbraw/zinc/46/96/66/857469666.db2.gz NHELUYGJSYISFB-DEOSSOPVSA-N 2 1 393.575 3.574 20 0 GHADMP Cc1cc(C)cc(OCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000671720222 857469671 /nfs/dbraw/zinc/46/96/71/857469671.db2.gz NHELUYGJSYISFB-DEOSSOPVSA-N 2 1 393.575 3.574 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000521011674 857513598 /nfs/dbraw/zinc/51/35/98/857513598.db2.gz WHGYJSDAGVSQBZ-XXBNENTESA-N 2 1 377.532 3.956 20 0 GHADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000108369521 857555364 /nfs/dbraw/zinc/55/53/64/857555364.db2.gz FEJXWWADTYJUPD-JOCHJYFZSA-N 2 1 385.577 3.806 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000521069082 857559672 /nfs/dbraw/zinc/55/96/72/857559672.db2.gz ZXQDPVBGZZSEMW-QZTJIDSGSA-N 2 1 394.991 3.534 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000063407690 857615326 /nfs/dbraw/zinc/61/53/26/857615326.db2.gz MVUBGQSVZGTAEH-BGYRXZFFSA-N 2 1 392.632 3.698 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1F ZINC000482323967 862932150 /nfs/dbraw/zinc/93/21/50/862932150.db2.gz UVCHPECUNZQMCN-UNMCSNQZSA-N 2 1 391.575 3.724 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000521163185 857686995 /nfs/dbraw/zinc/68/69/95/857686995.db2.gz GRTJLGQPSVTOEF-REWPJTCUSA-N 2 1 394.563 3.643 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000671740288 857751527 /nfs/dbraw/zinc/75/15/27/857751527.db2.gz GXQGVYDIYWXNKI-KUVYTWDVSA-N 2 1 390.575 3.923 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168370945 857758032 /nfs/dbraw/zinc/75/80/32/857758032.db2.gz ASGUWCSGDCEFRJ-HSZRJFAPSA-N 2 1 391.600 3.974 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168701562 857803553 /nfs/dbraw/zinc/80/35/53/857803553.db2.gz RVDVMZLKNJXJNA-QGZVFWFLSA-N 2 1 395.975 3.634 20 0 GHADMP Fc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665282877 857815716 /nfs/dbraw/zinc/81/57/16/857815716.db2.gz DHDGRNWDRGACPY-OXJNMPFZSA-N 2 1 378.394 3.773 20 0 GHADMP CN(C(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000676350590 857840865 /nfs/dbraw/zinc/84/08/65/857840865.db2.gz BJAYSTNQWNFNLP-BRTIRZTQSA-N 2 1 377.532 3.825 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676477930 857899117 /nfs/dbraw/zinc/89/91/17/857899117.db2.gz PJNOZIMLJKCDGK-NLWGTHIKSA-N 2 1 376.504 3.939 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 ZINC000676477930 857899120 /nfs/dbraw/zinc/89/91/20/857899120.db2.gz PJNOZIMLJKCDGK-NLWGTHIKSA-N 2 1 376.504 3.939 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@@H]1C ZINC000442613653 857981049 /nfs/dbraw/zinc/98/10/49/857981049.db2.gz XAIDHTJUWXFDIF-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000181685622 862972550 /nfs/dbraw/zinc/97/25/50/862972550.db2.gz VGZYCLYTRGLWEB-HNNXBMFYSA-N 2 1 379.460 3.827 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000594295948 858032434 /nfs/dbraw/zinc/03/24/34/858032434.db2.gz BGLMZIQUMWOPMV-GOTSBHOMSA-N 2 1 398.595 3.559 20 0 GHADMP COCCC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442772318 858115165 /nfs/dbraw/zinc/11/51/65/858115165.db2.gz VNQKVEWUFOGGEU-PKTZIBPZSA-N 2 1 386.511 3.520 20 0 GHADMP COCCC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442772318 858115169 /nfs/dbraw/zinc/11/51/69/858115169.db2.gz VNQKVEWUFOGGEU-PKTZIBPZSA-N 2 1 386.511 3.520 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000574750237 858157153 /nfs/dbraw/zinc/15/71/53/858157153.db2.gz LJCFIOJONDILOE-OFNKIYASSA-N 2 1 382.548 3.858 20 0 GHADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000665299121 858181910 /nfs/dbraw/zinc/18/19/10/858181910.db2.gz GQFJELUNNNIVDY-OFNKIYASSA-N 2 1 391.471 3.696 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000543072093 858182491 /nfs/dbraw/zinc/18/24/91/858182491.db2.gz HGXJXAIOBREUMI-UHFFFAOYSA-N 2 1 384.446 3.531 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000066568142 858191834 /nfs/dbraw/zinc/19/18/34/858191834.db2.gz QRALJHYBRHUIJE-KRWDZBQOSA-N 2 1 377.960 3.667 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000442878312 858198890 /nfs/dbraw/zinc/19/88/90/858198890.db2.gz SRNKEPZITGGXDA-MRXNPFEDSA-N 2 1 386.367 3.823 20 0 GHADMP C[C@@H](Cc1ccccc1)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574797009 858320817 /nfs/dbraw/zinc/32/08/17/858320817.db2.gz PSVAJEHBNMCZGZ-WIOPSUGQSA-N 2 1 377.576 3.757 20 0 GHADMP c1csc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC000281432494 863024905 /nfs/dbraw/zinc/02/49/05/863024905.db2.gz CGICXPYLRCCJIJ-MZADTFQBSA-N 2 1 382.577 3.897 20 0 GHADMP O=C1CCCN1C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000166170125 858502776 /nfs/dbraw/zinc/50/27/76/858502776.db2.gz FZOQNLMJLHROMI-QRVBRYPASA-N 2 1 395.469 3.585 20 0 GHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463603 858528944 /nfs/dbraw/zinc/52/89/44/858528944.db2.gz XQNQAAXVNJUHQT-WSTZPKSXSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463603 858528949 /nfs/dbraw/zinc/52/89/49/858528949.db2.gz XQNQAAXVNJUHQT-WSTZPKSXSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463603 858528954 /nfs/dbraw/zinc/52/89/54/858528954.db2.gz XQNQAAXVNJUHQT-WSTZPKSXSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463603 858528959 /nfs/dbraw/zinc/52/89/59/858528959.db2.gz XQNQAAXVNJUHQT-WSTZPKSXSA-N 2 1 375.557 3.885 20 0 GHADMP O=C(C[N@@H+](CC1CCCCC1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522084040 858607234 /nfs/dbraw/zinc/60/72/34/858607234.db2.gz LZZAYEVNZMMLDW-UHFFFAOYSA-N 2 1 383.580 3.943 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000676616015 858718413 /nfs/dbraw/zinc/71/84/13/858718413.db2.gz HIEINZNEAXJHRH-LJQANCHMSA-N 2 1 398.551 3.607 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000676616015 858718414 /nfs/dbraw/zinc/71/84/14/858718414.db2.gz HIEINZNEAXJHRH-LJQANCHMSA-N 2 1 398.551 3.607 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000474063592 858752113 /nfs/dbraw/zinc/75/21/13/858752113.db2.gz XSBGRVFRRODWQC-KEZOAJOQSA-N 2 1 385.596 3.550 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)C[C@H](C)O1 ZINC000543183005 858759195 /nfs/dbraw/zinc/75/91/95/858759195.db2.gz DBFPQVSWKGODQC-HYFFOGBASA-N 2 1 392.971 3.918 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)C[C@H](C)O1 ZINC000543183005 858759205 /nfs/dbraw/zinc/75/92/05/858759205.db2.gz DBFPQVSWKGODQC-HYFFOGBASA-N 2 1 392.971 3.918 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676712996 858773543 /nfs/dbraw/zinc/77/35/43/858773543.db2.gz XNKCFSWLTHJGJV-DKICVRJWSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712996 858773553 /nfs/dbraw/zinc/77/35/53/858773553.db2.gz XNKCFSWLTHJGJV-DKICVRJWSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676712996 858773559 /nfs/dbraw/zinc/77/35/59/858773559.db2.gz XNKCFSWLTHJGJV-DKICVRJWSA-N 2 1 399.362 3.682 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC(F)(F)CC1 ZINC000474074559 858781461 /nfs/dbraw/zinc/78/14/61/858781461.db2.gz RGAQUGDYGQWEQN-UZLBHIALSA-N 2 1 393.522 3.688 20 0 GHADMP C[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000499679411 858797183 /nfs/dbraw/zinc/79/71/83/858797183.db2.gz BTLXRRDNJWLVPZ-CTNGQTDRSA-N 2 1 393.579 3.687 20 0 GHADMP COC(=O)[C@H](c1ccccc1C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000466242158 858807181 /nfs/dbraw/zinc/80/71/81/858807181.db2.gz UIIPDCIVZPPNEA-QFIPXVFZSA-N 2 1 381.520 3.843 20 0 GHADMP COC(=O)[C@H](c1ccccc1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000466242158 858807189 /nfs/dbraw/zinc/80/71/89/858807189.db2.gz UIIPDCIVZPPNEA-QFIPXVFZSA-N 2 1 381.520 3.843 20 0 GHADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000557003049 881357948 /nfs/dbraw/zinc/35/79/48/881357948.db2.gz AQYGWCGKWUFTBB-DHIUTWEWSA-N 2 1 385.596 3.997 20 0 GHADMP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)CC2 ZINC000479355075 858980287 /nfs/dbraw/zinc/98/02/87/858980287.db2.gz GHJWBKOWJGLSNO-HTAPYJJXSA-N 2 1 396.531 3.702 20 0 GHADMP COc1cc2c(cc1OC)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)CC2 ZINC000479355075 858980293 /nfs/dbraw/zinc/98/02/93/858980293.db2.gz GHJWBKOWJGLSNO-HTAPYJJXSA-N 2 1 396.531 3.702 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCN3CCN(c4ccccc4)CC3)C2)CC1 ZINC000509297379 858980751 /nfs/dbraw/zinc/98/07/51/858980751.db2.gz ZDFVUJDWIPBLBC-DEOSSOPVSA-N 2 1 398.639 3.643 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)CC1 ZINC000509297379 858980752 /nfs/dbraw/zinc/98/07/52/858980752.db2.gz ZDFVUJDWIPBLBC-DEOSSOPVSA-N 2 1 398.639 3.643 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1F ZINC000856551114 881368303 /nfs/dbraw/zinc/36/83/03/881368303.db2.gz LARMLGRGCXDNGT-FQEVSTJZSA-N 2 1 387.499 3.724 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1F ZINC000856551114 881368322 /nfs/dbraw/zinc/36/83/22/881368322.db2.gz LARMLGRGCXDNGT-FQEVSTJZSA-N 2 1 387.499 3.724 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1F ZINC000856551114 881368343 /nfs/dbraw/zinc/36/83/43/881368343.db2.gz LARMLGRGCXDNGT-FQEVSTJZSA-N 2 1 387.499 3.724 20 0 GHADMP C[C@H](c1ccsc1)[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509622494 859013775 /nfs/dbraw/zinc/01/37/75/859013775.db2.gz ZQTZQZUSFQTRCE-OAQYLSRUSA-N 2 1 398.620 3.639 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(-c4ccco4)s3)C2)ccn1 ZINC000856550603 881371456 /nfs/dbraw/zinc/37/14/56/881371456.db2.gz DYAJNEMBXNUWEK-GOSISDBHSA-N 2 1 398.532 3.903 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)ccn1 ZINC000856550603 881371478 /nfs/dbraw/zinc/37/14/78/881371478.db2.gz DYAJNEMBXNUWEK-GOSISDBHSA-N 2 1 398.532 3.903 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)ccn1 ZINC000856550603 881371498 /nfs/dbraw/zinc/37/14/98/881371498.db2.gz DYAJNEMBXNUWEK-GOSISDBHSA-N 2 1 398.532 3.903 20 0 GHADMP CCc1nc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)sc1C ZINC000443603090 859032173 /nfs/dbraw/zinc/03/21/73/859032173.db2.gz QLYRIINMLXMLHK-UHFFFAOYSA-N 2 1 378.586 3.540 20 0 GHADMP O=C(NC1CC1)[C@H](c1ccc(F)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443606549 859043059 /nfs/dbraw/zinc/04/30/59/859043059.db2.gz RRPSDLFZYHOIPS-QFIPXVFZSA-N 2 1 387.543 3.733 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661073 859113053 /nfs/dbraw/zinc/11/30/53/859113053.db2.gz LEWRRCHCLZLYFM-HBYOUHSISA-N 2 1 387.612 3.703 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661073 859113055 /nfs/dbraw/zinc/11/30/55/859113055.db2.gz LEWRRCHCLZLYFM-HBYOUHSISA-N 2 1 387.612 3.703 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(OC(C)C)cc3)C2)ccn1 ZINC000856553113 881383370 /nfs/dbraw/zinc/38/33/70/881383370.db2.gz ACGZTEXSDQCVLA-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)ccn1 ZINC000856553113 881383387 /nfs/dbraw/zinc/38/33/87/881383387.db2.gz ACGZTEXSDQCVLA-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)ccn1 ZINC000856553113 881383404 /nfs/dbraw/zinc/38/34/04/881383404.db2.gz ACGZTEXSDQCVLA-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185684306 859116097 /nfs/dbraw/zinc/11/60/97/859116097.db2.gz YTJHTXZSMIVPCC-LSDHHAIUSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684306 859116099 /nfs/dbraw/zinc/11/60/99/859116099.db2.gz YTJHTXZSMIVPCC-LSDHHAIUSA-N 2 1 383.458 3.887 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(C(C)(C)C)s3)C2)ccn1 ZINC000856553612 881383568 /nfs/dbraw/zinc/38/35/68/881383568.db2.gz MOXINCHLBGIZDH-GOSISDBHSA-N 2 1 388.581 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)ccn1 ZINC000856553612 881383585 /nfs/dbraw/zinc/38/35/85/881383585.db2.gz MOXINCHLBGIZDH-GOSISDBHSA-N 2 1 388.581 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)s3)C2)ccn1 ZINC000856553612 881383601 /nfs/dbraw/zinc/38/36/01/881383601.db2.gz MOXINCHLBGIZDH-GOSISDBHSA-N 2 1 388.581 3.941 20 0 GHADMP CC1(C)C[N@@H+](Cc2cnc3n2CCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000668206619 859133303 /nfs/dbraw/zinc/13/33/03/859133303.db2.gz RMWMPRMVWNQBJM-QHCPKHFHSA-N 2 1 378.564 3.952 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)ccc3OC)C2)ccn1 ZINC000856554152 881389693 /nfs/dbraw/zinc/38/96/93/881389693.db2.gz PPJMKNCUKDGWRH-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)ccc3OC)C2)ccn1 ZINC000856554152 881389712 /nfs/dbraw/zinc/38/97/12/881389712.db2.gz PPJMKNCUKDGWRH-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3OC)C2)ccn1 ZINC000856554152 881389729 /nfs/dbraw/zinc/38/97/29/881389729.db2.gz PPJMKNCUKDGWRH-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC)C2)ccn1 ZINC000856554152 881389747 /nfs/dbraw/zinc/38/97/47/881389747.db2.gz PPJMKNCUKDGWRH-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000483207039 859222253 /nfs/dbraw/zinc/22/22/53/859222253.db2.gz VBLYTAWSXXAAOT-RTWAWAEBSA-N 2 1 375.601 3.756 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474149318 859298298 /nfs/dbraw/zinc/29/82/98/859298298.db2.gz HFCNFCRBIPOYMY-UHFFFAOYSA-N 2 1 375.948 3.865 20 0 GHADMP CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062436 859436774 /nfs/dbraw/zinc/43/67/74/859436774.db2.gz SETSBBRTBPULMN-LJQANCHMSA-N 2 1 397.563 3.798 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(OC4CCCC4)c3)cc2)C1 ZINC000657593634 859452855 /nfs/dbraw/zinc/45/28/55/859452855.db2.gz AWGODPMFIOQQTD-JOCHJYFZSA-N 2 1 380.532 3.864 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CC[NH2+]C(C)(C)C ZINC001129287706 859473156 /nfs/dbraw/zinc/47/31/56/859473156.db2.gz KRKXTBFIUDDDSU-QFIPXVFZSA-N 2 1 387.612 3.956 20 0 GHADMP C[N@H+](CC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608490 859484046 /nfs/dbraw/zinc/48/40/46/859484046.db2.gz RGHHAEATTKFINE-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@@H+](CC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608490 859484049 /nfs/dbraw/zinc/48/40/49/859484049.db2.gz RGHHAEATTKFINE-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608490 859484056 /nfs/dbraw/zinc/48/40/56/859484056.db2.gz RGHHAEATTKFINE-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608490 859484060 /nfs/dbraw/zinc/48/40/60/859484060.db2.gz RGHHAEATTKFINE-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)OCCO2 ZINC000895448233 859490535 /nfs/dbraw/zinc/49/05/35/859490535.db2.gz ABHUFJIPBPFRCV-NJYVYQBISA-N 2 1 388.527 3.512 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(C(C)(C)C)nc3)C2)ccn1 ZINC000856560334 881440453 /nfs/dbraw/zinc/44/04/53/881440453.db2.gz WGAPFEQJSGDREA-NRFANRHFSA-N 2 1 397.567 3.663 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(C(C)(C)C)nc3)C2)ccn1 ZINC000856560334 881440456 /nfs/dbraw/zinc/44/04/56/881440456.db2.gz WGAPFEQJSGDREA-NRFANRHFSA-N 2 1 397.567 3.663 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(C(C)(C)C)nc3)C2)ccn1 ZINC000856560334 881440462 /nfs/dbraw/zinc/44/04/62/881440462.db2.gz WGAPFEQJSGDREA-NRFANRHFSA-N 2 1 397.567 3.663 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)nc3)C2)ccn1 ZINC000856560334 881440466 /nfs/dbraw/zinc/44/04/66/881440466.db2.gz WGAPFEQJSGDREA-NRFANRHFSA-N 2 1 397.567 3.663 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000114455537 859613596 /nfs/dbraw/zinc/61/35/96/859613596.db2.gz JWMIEKNVUVJCIE-INIZCTEOSA-N 2 1 377.960 3.854 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000114455537 859613603 /nfs/dbraw/zinc/61/36/03/859613603.db2.gz JWMIEKNVUVJCIE-INIZCTEOSA-N 2 1 377.960 3.854 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C(C)(C)C)c3)C2)ccn1 ZINC000856560912 881445238 /nfs/dbraw/zinc/44/52/38/881445238.db2.gz KNZFDLDHJZMEIO-OAQYLSRUSA-N 2 1 385.556 3.527 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)ccn1 ZINC000856560912 881445240 /nfs/dbraw/zinc/44/52/40/881445240.db2.gz KNZFDLDHJZMEIO-OAQYLSRUSA-N 2 1 385.556 3.527 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnn(C(C)(C)C)c3)C2)ccn1 ZINC000856560912 881445247 /nfs/dbraw/zinc/44/52/47/881445247.db2.gz KNZFDLDHJZMEIO-OAQYLSRUSA-N 2 1 385.556 3.527 20 0 GHADMP CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000729545070 859732336 /nfs/dbraw/zinc/73/23/36/859732336.db2.gz RMUUQVULRHULFQ-OALUTQOASA-N 2 1 386.584 3.666 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000474288611 859764013 /nfs/dbraw/zinc/76/40/13/859764013.db2.gz CCUYVKUAORUFAY-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000474288611 859764022 /nfs/dbraw/zinc/76/40/22/859764022.db2.gz CCUYVKUAORUFAY-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000484130800 859840173 /nfs/dbraw/zinc/84/01/73/859840173.db2.gz PPZJACSLKHHSAF-WMLDXEAASA-N 2 1 389.371 3.527 20 0 GHADMP Cc1ccc(Nc2ccccc2C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000602199812 859861480 /nfs/dbraw/zinc/86/14/80/859861480.db2.gz APOXWMOHNWZFDM-HXUWFJFHSA-N 2 1 392.547 3.637 20 0 GHADMP Cc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000602199812 859861486 /nfs/dbraw/zinc/86/14/86/859861486.db2.gz APOXWMOHNWZFDM-HXUWFJFHSA-N 2 1 392.547 3.637 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(CC(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000513543854 859877449 /nfs/dbraw/zinc/87/74/49/859877449.db2.gz AHENVPOPPKXZIO-AEFFLSMTSA-N 2 1 380.458 3.836 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000727078190 859917435 /nfs/dbraw/zinc/91/74/35/859917435.db2.gz VGBBGTHHBASBNV-UHFFFAOYSA-N 2 1 387.597 3.929 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(N2CCOCC2)c1 ZINC000484302238 859922771 /nfs/dbraw/zinc/92/27/71/859922771.db2.gz PLZLMJUWDKBZON-URXFXBBRSA-N 2 1 393.575 3.832 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465593943 860085939 /nfs/dbraw/zinc/08/59/39/860085939.db2.gz HDJSIEUFVGRKBV-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000474470599 860152274 /nfs/dbraw/zinc/15/22/74/860152274.db2.gz DZLBINJPOJSJCQ-FHLIZLRMSA-N 2 1 398.332 3.829 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000536044093 860266956 /nfs/dbraw/zinc/26/69/56/860266956.db2.gz VENFWEGDGFEGQW-DHIUTWEWSA-N 2 1 392.547 3.618 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000536044093 860266961 /nfs/dbraw/zinc/26/69/61/860266961.db2.gz VENFWEGDGFEGQW-DHIUTWEWSA-N 2 1 392.547 3.618 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1 ZINC000536050285 860268508 /nfs/dbraw/zinc/26/85/08/860268508.db2.gz MVIZJJLWEDXHOO-AOMIVXANSA-N 2 1 384.568 3.515 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1 ZINC000536050285 860268515 /nfs/dbraw/zinc/26/85/15/860268515.db2.gz MVIZJJLWEDXHOO-AOMIVXANSA-N 2 1 384.568 3.515 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(Br)c3)C2)CC1 ZINC000532224363 881526138 /nfs/dbraw/zinc/52/61/38/881526138.db2.gz MTHRMZFANKOCEI-APWZRJJASA-N 2 1 380.374 3.610 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000904573591 860519753 /nfs/dbraw/zinc/51/97/53/860519753.db2.gz YSSCVMPLKXHPLW-MRXNPFEDSA-N 2 1 386.565 3.976 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000120459721 881562998 /nfs/dbraw/zinc/56/29/98/881562998.db2.gz ABHZYOCFLULZOP-UYAOXDASSA-N 2 1 390.572 3.601 20 0 GHADMP C(CC[NH+]1CCOC[C@@H](C2CCC2)C1)CC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429017116 860702541 /nfs/dbraw/zinc/70/25/41/860702541.db2.gz CFUODXHASJNAHA-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CCOC[C@H](C2CCC2)C1)CC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429017116 860702546 /nfs/dbraw/zinc/70/25/46/860702546.db2.gz CFUODXHASJNAHA-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CCOC[C@H](C2CCC2)C1)CC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429017116 860702555 /nfs/dbraw/zinc/70/25/55/860702555.db2.gz CFUODXHASJNAHA-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494321210 881576237 /nfs/dbraw/zinc/57/62/37/881576237.db2.gz WKFQVVKEUJJICM-LEWJYISDSA-N 2 1 393.522 3.725 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494321210 881576253 /nfs/dbraw/zinc/57/62/53/881576253.db2.gz WKFQVVKEUJJICM-LEWJYISDSA-N 2 1 393.522 3.725 20 0 GHADMP C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1)[N@@H+](C)Cc1ccccc1 ZINC000474805222 860806958 /nfs/dbraw/zinc/80/69/58/860806958.db2.gz AFJFNCMLDOUYRC-KRWDZBQOSA-N 2 1 383.927 3.921 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2sc1=O ZINC000192517242 860870705 /nfs/dbraw/zinc/87/07/05/860870705.db2.gz AWHIXLANYHFSIZ-INIZCTEOSA-N 2 1 387.574 3.663 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2sc1=O ZINC000192517242 860870709 /nfs/dbraw/zinc/87/07/09/860870709.db2.gz AWHIXLANYHFSIZ-INIZCTEOSA-N 2 1 387.574 3.663 20 0 GHADMP C[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000557024032 881593758 /nfs/dbraw/zinc/59/37/58/881593758.db2.gz UVZXJXLWWSEYGP-HBMCJLEFSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000669691636 860977556 /nfs/dbraw/zinc/97/75/56/860977556.db2.gz KDPCDZYLYJADFW-OXJNMPFZSA-N 2 1 383.502 3.909 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)nnn1-c1ccc(C)cc1 ZINC000481309845 861008631 /nfs/dbraw/zinc/00/86/31/861008631.db2.gz MURPRVAXOINOPD-GOSISDBHSA-N 2 1 393.535 3.675 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(C)cc1 ZINC000481312532 861014815 /nfs/dbraw/zinc/01/48/15/861014815.db2.gz UPXPKGOSCKPRBX-SFHVURJKSA-N 2 1 393.535 3.675 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000481321417 861038244 /nfs/dbraw/zinc/03/82/44/861038244.db2.gz OTZMXNNJMITKFD-PXDATVDWSA-N 2 1 393.575 3.519 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000623426191 861050850 /nfs/dbraw/zinc/05/08/50/861050850.db2.gz DEVALNIJOHWLLH-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623426191 861050858 /nfs/dbraw/zinc/05/08/58/861050858.db2.gz DEVALNIJOHWLLH-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623426191 861050876 /nfs/dbraw/zinc/05/08/76/861050876.db2.gz DEVALNIJOHWLLH-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000481315451 861051816 /nfs/dbraw/zinc/05/18/16/861051816.db2.gz WNGPIYZMNKBJAO-YKSBVNFPSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000481315451 861051834 /nfs/dbraw/zinc/05/18/34/861051834.db2.gz WNGPIYZMNKBJAO-YKSBVNFPSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[NH+](C)C2)cc1 ZINC000623454385 861081309 /nfs/dbraw/zinc/08/13/09/861081309.db2.gz BXXXNCXYRPSCAS-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623454385 861081325 /nfs/dbraw/zinc/08/13/25/861081325.db2.gz BXXXNCXYRPSCAS-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623454385 861081342 /nfs/dbraw/zinc/08/13/42/861081342.db2.gz BXXXNCXYRPSCAS-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CCOC(=O)c1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000600171504 861164543 /nfs/dbraw/zinc/16/45/43/861164543.db2.gz WLQOKNMIADWLBP-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000600174890 861171331 /nfs/dbraw/zinc/17/13/31/861171331.db2.gz QSQYFZOEYCQXEN-FQEVSTJZSA-N 2 1 393.531 3.650 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000600174890 861171334 /nfs/dbraw/zinc/17/13/34/861171334.db2.gz QSQYFZOEYCQXEN-FQEVSTJZSA-N 2 1 393.531 3.650 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(Cl)n(C)nc2-c2ccccc2)C[C@H](C)O1 ZINC000172064187 863146821 /nfs/dbraw/zinc/14/68/21/863146821.db2.gz FVTGXMHQEZLAPY-CALCHBBNSA-N 2 1 390.959 3.720 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000605988743 863328165 /nfs/dbraw/zinc/32/81/65/863328165.db2.gz SXIBGPJYGQANMI-FQEVSTJZSA-N 2 1 394.991 3.678 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2cccs2)cc1 ZINC000183142214 863484254 /nfs/dbraw/zinc/48/42/54/863484254.db2.gz LYUHRTHPHFQFDM-CVEARBPZSA-N 2 1 382.533 3.640 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1cc(F)cc(F)c1 ZINC000444156289 863558687 /nfs/dbraw/zinc/55/86/87/863558687.db2.gz LJNSKWZZPDSZHK-QGZVFWFLSA-N 2 1 379.495 3.881 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1Cl ZINC000606624126 863717086 /nfs/dbraw/zinc/71/70/86/863717086.db2.gz WKDIMTVFSIGUQD-FQEVSTJZSA-N 2 1 392.975 3.603 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1Cl ZINC000606624126 863717090 /nfs/dbraw/zinc/71/70/90/863717090.db2.gz WKDIMTVFSIGUQD-FQEVSTJZSA-N 2 1 392.975 3.603 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@]4(CC=CCC4)C3)cc2)CC1 ZINC000734001502 863911669 /nfs/dbraw/zinc/91/16/69/863911669.db2.gz RXEVEVFCXWBCCR-XMMPIXPASA-N 2 1 396.579 3.589 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)sc2c1)C1CC1 ZINC000667610660 863935154 /nfs/dbraw/zinc/93/51/54/863935154.db2.gz MKNCSOWJRKDBNO-QGZVFWFLSA-N 2 1 399.564 3.593 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159069719 864023212 /nfs/dbraw/zinc/02/32/12/864023212.db2.gz CKSMFEDLJBXCDB-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001168056023 864062416 /nfs/dbraw/zinc/06/24/16/864062416.db2.gz BSNRNBOMSUKUKU-MHXAIHSWSA-N 2 1 395.547 3.985 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001168056023 864062430 /nfs/dbraw/zinc/06/24/30/864062430.db2.gz BSNRNBOMSUKUKU-MHXAIHSWSA-N 2 1 395.547 3.985 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001168056023 864062445 /nfs/dbraw/zinc/06/24/45/864062445.db2.gz BSNRNBOMSUKUKU-MHXAIHSWSA-N 2 1 395.547 3.985 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]C4CCN(C[C@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518663 864078540 /nfs/dbraw/zinc/07/85/40/864078540.db2.gz IZBGIJGUGNNAPK-PEISPCAHSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518663 864078555 /nfs/dbraw/zinc/07/85/55/864078555.db2.gz IZBGIJGUGNNAPK-PEISPCAHSA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518663 864078569 /nfs/dbraw/zinc/07/85/69/864078569.db2.gz IZBGIJGUGNNAPK-PEISPCAHSA-N 3 1 397.607 3.520 20 0 GHADMP COc1cc[nH+]c(N2CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001168056085 864107611 /nfs/dbraw/zinc/10/76/11/864107611.db2.gz CHASTRZWUFNYLQ-VTYHHJSWSA-N 2 1 394.563 3.654 20 0 GHADMP COc1cc[nH+]c(N2CCN([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001168056085 864107616 /nfs/dbraw/zinc/10/76/16/864107616.db2.gz CHASTRZWUFNYLQ-VTYHHJSWSA-N 2 1 394.563 3.654 20 0 GHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000607167741 864129539 /nfs/dbraw/zinc/12/95/39/864129539.db2.gz JZAYGCHZKFNMAT-ISKFKSNPSA-N 2 1 382.548 3.838 20 0 GHADMP CCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000607167741 864129544 /nfs/dbraw/zinc/12/95/44/864129544.db2.gz JZAYGCHZKFNMAT-ISKFKSNPSA-N 2 1 382.548 3.838 20 0 GHADMP CCC[N@H+](Cc1ccnn1CC1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000667639289 864261059 /nfs/dbraw/zinc/26/10/59/864261059.db2.gz QPODUPDNHXDSLT-UHFFFAOYSA-N 2 1 382.556 3.581 20 0 GHADMP CCC[N@@H+](Cc1ccnn1CC1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000667639289 864261077 /nfs/dbraw/zinc/26/10/77/864261077.db2.gz QPODUPDNHXDSLT-UHFFFAOYSA-N 2 1 382.556 3.581 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000480208664 864269854 /nfs/dbraw/zinc/26/98/54/864269854.db2.gz XBVBFYZBLWYIIH-REWPJTCUSA-N 2 1 391.559 3.645 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000621642443 864347136 /nfs/dbraw/zinc/34/71/36/864347136.db2.gz NEBGOKVFHSRFOH-MRXNPFEDSA-N 2 1 397.485 3.566 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000621751186 864398136 /nfs/dbraw/zinc/39/81/36/864398136.db2.gz BPCOHCYVKYCZBX-GGAORHGYSA-N 2 1 377.532 3.986 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455944121 864454234 /nfs/dbraw/zinc/45/42/34/864454234.db2.gz MPRSOUBGOMOSNO-UHFFFAOYSA-N 2 1 396.963 3.666 20 0 GHADMP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000166014822 864708284 /nfs/dbraw/zinc/70/82/84/864708284.db2.gz AGBYYFXXTPPPDT-LADGPHEKSA-N 2 1 380.532 3.776 20 0 GHADMP COc1cc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc(OC)c1OCc1ccccc1 ZINC000622045003 864718936 /nfs/dbraw/zinc/71/89/36/864718936.db2.gz ZPAGVMUPRFJARU-YLJYHZDGSA-N 2 1 384.520 3.555 20 0 GHADMP COc1cc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc(OC)c1OCc1ccccc1 ZINC000622045001 864719069 /nfs/dbraw/zinc/71/90/69/864719069.db2.gz ZPAGVMUPRFJARU-PXNSSMCTSA-N 2 1 384.520 3.555 20 0 GHADMP COc1cc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc(OC)c1OCc1ccccc1 ZINC000622045002 864719241 /nfs/dbraw/zinc/71/92/41/864719241.db2.gz ZPAGVMUPRFJARU-XLIONFOSSA-N 2 1 384.520 3.555 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000475289027 864720710 /nfs/dbraw/zinc/72/07/10/864720710.db2.gz ABWSAQYECLXKAD-OAQYLSRUSA-N 2 1 378.495 3.682 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000475289027 864720718 /nfs/dbraw/zinc/72/07/18/864720718.db2.gz ABWSAQYECLXKAD-OAQYLSRUSA-N 2 1 378.495 3.682 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166240747 864726327 /nfs/dbraw/zinc/72/63/27/864726327.db2.gz BEFGOYFUNMGGTM-ZCYQVOJMSA-N 2 1 393.575 3.692 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000622344915 864944023 /nfs/dbraw/zinc/94/40/23/864944023.db2.gz KHSHHTKKNQMRBZ-XMMPIXPASA-N 2 1 397.607 3.951 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000622344915 864944032 /nfs/dbraw/zinc/94/40/32/864944032.db2.gz KHSHHTKKNQMRBZ-XMMPIXPASA-N 2 1 397.607 3.951 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000622344915 864944040 /nfs/dbraw/zinc/94/40/40/864944040.db2.gz KHSHHTKKNQMRBZ-XMMPIXPASA-N 2 1 397.607 3.951 20 0 GHADMP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480604143 864961809 /nfs/dbraw/zinc/96/18/09/864961809.db2.gz FWYKDVHBNFEMKW-IBGZPJMESA-N 2 1 395.547 3.714 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(N3CC(F)(F)C3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064187 864975261 /nfs/dbraw/zinc/97/52/61/864975261.db2.gz OUTMPNIXCXNCGR-RMFSNUHRSA-N 2 1 377.523 3.843 20 0 GHADMP CCOC(=O)N1CCC([N@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168063953 864979873 /nfs/dbraw/zinc/97/98/73/864979873.db2.gz OQGHNXJNFTXJMP-OALUTQOASA-N 2 1 387.568 3.981 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](C)C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168063953 864979879 /nfs/dbraw/zinc/97/98/79/864979879.db2.gz OQGHNXJNFTXJMP-OALUTQOASA-N 2 1 387.568 3.981 20 0 GHADMP CC(C)[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000132951249 881831481 /nfs/dbraw/zinc/83/14/81/881831481.db2.gz NRXBFBVEKSSSAP-FQEVSTJZSA-N 2 1 377.960 3.655 20 0 GHADMP CC[C@H]1C[C@@H](C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)CCO1 ZINC000554887099 865090546 /nfs/dbraw/zinc/09/05/46/865090546.db2.gz NLWOOXPKJLUCCP-FPOVZHCZSA-N 2 1 389.584 3.808 20 0 GHADMP CC[C@H]1C[C@@H](C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)CCO1 ZINC000554887099 865090552 /nfs/dbraw/zinc/09/05/52/865090552.db2.gz NLWOOXPKJLUCCP-FPOVZHCZSA-N 2 1 389.584 3.808 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(OC)cc43)cc2)CC1 ZINC000480725076 865172946 /nfs/dbraw/zinc/17/29/46/865172946.db2.gz XAKIYWPZZPYLBT-RUZDIDTESA-N 2 1 393.575 4.000 20 0 GHADMP Cc1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc2[nH+]1 ZINC000301209996 865226870 /nfs/dbraw/zinc/22/68/70/865226870.db2.gz VVYVPPKXEVHTNT-HXUWFJFHSA-N 2 1 388.515 3.853 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(=O)Nc2cccc(F)c2C)cc1F ZINC000608343033 865239274 /nfs/dbraw/zinc/23/92/74/865239274.db2.gz RKUKLFWFMODFRP-UHFFFAOYSA-N 2 1 384.430 3.886 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000480781533 865257949 /nfs/dbraw/zinc/25/79/49/865257949.db2.gz UUYLSCPPSWGGHP-NRFANRHFSA-N 2 1 393.575 3.881 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000554969839 865270636 /nfs/dbraw/zinc/27/06/36/865270636.db2.gz YVRSIWFEBKJLHI-HNNXBMFYSA-N 2 1 379.346 3.699 20 0 GHADMP C[C@@H]1C[C@@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065812 865297831 /nfs/dbraw/zinc/29/78/31/865297831.db2.gz YHOLGMAYELXWGK-OPVJXMOQSA-N 2 1 377.523 3.843 20 0 GHADMP C[C@@H]1C[C@@H](N2CC([NH+]3CCC(F)(F)CC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065812 865297843 /nfs/dbraw/zinc/29/78/43/865297843.db2.gz YHOLGMAYELXWGK-OPVJXMOQSA-N 2 1 377.523 3.843 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000920179633 881857898 /nfs/dbraw/zinc/85/78/98/881857898.db2.gz LIRYMZNDBOVMPN-FQEVSTJZSA-N 2 1 396.579 3.673 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000608499808 865387832 /nfs/dbraw/zinc/38/78/32/865387832.db2.gz IEYONSCIDZBYQX-CVEARBPZSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000608499808 865387848 /nfs/dbraw/zinc/38/78/48/865387848.db2.gz IEYONSCIDZBYQX-CVEARBPZSA-N 2 1 387.351 3.541 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)c2c1C ZINC000301610467 865453804 /nfs/dbraw/zinc/45/38/04/865453804.db2.gz CMKZSUOGXZXIMB-WMLDXEAASA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2c1C ZINC000301610467 865453813 /nfs/dbraw/zinc/45/38/13/865453813.db2.gz CMKZSUOGXZXIMB-WMLDXEAASA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)c2c1C ZINC000301610467 865453819 /nfs/dbraw/zinc/45/38/19/865453819.db2.gz CMKZSUOGXZXIMB-WMLDXEAASA-N 2 1 387.597 3.680 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000667798588 865659597 /nfs/dbraw/zinc/65/95/97/865659597.db2.gz DCHXBGLDAUBUJG-UHFFFAOYSA-N 2 1 395.551 3.671 20 0 GHADMP CCS[C@@H]1CCCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000481006641 865682049 /nfs/dbraw/zinc/68/20/49/865682049.db2.gz GJQBFYJWFGSQPY-OAQYLSRUSA-N 2 1 389.609 3.506 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671242516 865698645 /nfs/dbraw/zinc/69/86/45/865698645.db2.gz GTRGVSIGHLDKIF-GOSISDBHSA-N 2 1 386.540 3.868 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671242516 865698651 /nfs/dbraw/zinc/69/86/51/865698651.db2.gz GTRGVSIGHLDKIF-GOSISDBHSA-N 2 1 386.540 3.868 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000533984866 865700681 /nfs/dbraw/zinc/70/06/81/865700681.db2.gz AKIFSAMSWDFTBQ-BWWMBTDCSA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cc1O ZINC000185206977 865743460 /nfs/dbraw/zinc/74/34/60/865743460.db2.gz IOMHISULCCIFKW-ZNMIVQPWSA-N 2 1 385.346 3.695 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000667816066 865813066 /nfs/dbraw/zinc/81/30/66/865813066.db2.gz VSLMQTXOLRLSDB-ILWGZMRPSA-N 2 1 378.520 3.568 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481185833 865952742 /nfs/dbraw/zinc/95/27/42/865952742.db2.gz FKYMWGXDZSRICB-VIZSFHNOSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481185833 865952751 /nfs/dbraw/zinc/95/27/51/865952751.db2.gz FKYMWGXDZSRICB-VIZSFHNOSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000481174326 865961770 /nfs/dbraw/zinc/96/17/70/865961770.db2.gz IRZAGLHEDRCECI-NFBKMPQASA-N 2 1 391.559 3.682 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000481174326 865961778 /nfs/dbraw/zinc/96/17/78/865961778.db2.gz IRZAGLHEDRCECI-NFBKMPQASA-N 2 1 391.559 3.682 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000623086791 866005865 /nfs/dbraw/zinc/00/58/65/866005865.db2.gz KMNPJCFEICSWLX-CQSZACIVSA-N 2 1 381.320 3.624 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001168341531 881934472 /nfs/dbraw/zinc/93/44/72/881934472.db2.gz SQHZSUUWIOQFJO-GXRSIYKFSA-N 2 1 383.580 3.524 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000671307263 866121249 /nfs/dbraw/zinc/12/12/49/866121249.db2.gz ZGJSNDSFZGLINR-QGZVFWFLSA-N 2 1 399.558 3.906 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103574 866212489 /nfs/dbraw/zinc/21/24/89/866212489.db2.gz ZPZUYMXNZITIAK-IEBWSBKVSA-N 2 1 379.589 3.876 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534207745 866274211 /nfs/dbraw/zinc/27/42/11/866274211.db2.gz ZOFPHMSEYQDSHX-APWZRJJASA-N 2 1 398.954 3.503 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534207745 866274222 /nfs/dbraw/zinc/27/42/22/866274222.db2.gz ZOFPHMSEYQDSHX-APWZRJJASA-N 2 1 398.954 3.503 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534207745 866274238 /nfs/dbraw/zinc/27/42/38/866274238.db2.gz ZOFPHMSEYQDSHX-APWZRJJASA-N 2 1 398.954 3.503 20 0 GHADMP COc1ccc([C@H]2[C@H](COC(=O)c3ccc4c[nH+]cn4c3)CCC[N@H+]2C)cc1 ZINC000793158215 881982482 /nfs/dbraw/zinc/98/24/82/881982482.db2.gz RXJWVPAHWWBNFQ-RXVVDRJESA-N 2 1 379.460 3.583 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)c(OC)c1 ZINC000127294059 866846838 /nfs/dbraw/zinc/84/68/38/866846838.db2.gz HIEVSXFLKIPPDM-HOIFWPIMSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)CC[N@H+]1C ZINC000444715544 867126754 /nfs/dbraw/zinc/12/67/54/867126754.db2.gz DGGGVJRBFXJYSG-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH+]1C ZINC000444715544 867126768 /nfs/dbraw/zinc/12/67/68/867126768.db2.gz DGGGVJRBFXJYSG-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH+]1C ZINC000444715544 867126781 /nfs/dbraw/zinc/12/67/81/867126781.db2.gz DGGGVJRBFXJYSG-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)[C@H](C)C1 ZINC000479078556 867141148 /nfs/dbraw/zinc/14/11/48/867141148.db2.gz JLOYBJMQIMHWHW-OIBXWCBGSA-N 2 1 396.579 3.976 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)[C@H](C)C1 ZINC000479078556 867141156 /nfs/dbraw/zinc/14/11/56/867141156.db2.gz JLOYBJMQIMHWHW-OIBXWCBGSA-N 2 1 396.579 3.976 20 0 GHADMP CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000444770856 867207492 /nfs/dbraw/zinc/20/74/92/867207492.db2.gz HRFAWMDLIUBBJI-IBGZPJMESA-N 2 1 375.582 3.542 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455922543 867249523 /nfs/dbraw/zinc/24/95/23/867249523.db2.gz MFKCLYYGDNIIRB-FDDCHVKYSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455922543 867249544 /nfs/dbraw/zinc/24/95/44/867249544.db2.gz MFKCLYYGDNIIRB-FDDCHVKYSA-N 2 1 392.547 3.974 20 0 GHADMP Cc1ccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000523448050 867330983 /nfs/dbraw/zinc/33/09/83/867330983.db2.gz IMXVDWZIORDPBY-UHFFFAOYSA-N 2 1 390.572 3.712 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523449060 867331781 /nfs/dbraw/zinc/33/17/81/867331781.db2.gz VOSXUGTUYBMTKF-YADHBBJMSA-N 2 1 388.596 3.983 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523449060 867331803 /nfs/dbraw/zinc/33/18/03/867331803.db2.gz VOSXUGTUYBMTKF-YADHBBJMSA-N 2 1 388.596 3.983 20 0 GHADMP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000553401891 867354081 /nfs/dbraw/zinc/35/40/81/867354081.db2.gz FCFIVOZDNGWBFR-LJQANCHMSA-N 2 1 377.916 3.516 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000553401891 867354095 /nfs/dbraw/zinc/35/40/95/867354095.db2.gz FCFIVOZDNGWBFR-LJQANCHMSA-N 2 1 377.916 3.516 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)Cc2ccco2)C1 ZINC000553479563 867488389 /nfs/dbraw/zinc/48/83/89/867488389.db2.gz XKCJDLGSSXHAKG-TZIWHRDSSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000553479563 867488397 /nfs/dbraw/zinc/48/83/97/867488397.db2.gz XKCJDLGSSXHAKG-TZIWHRDSSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000553479563 867488400 /nfs/dbraw/zinc/48/84/00/867488400.db2.gz XKCJDLGSSXHAKG-TZIWHRDSSA-N 2 1 398.551 3.578 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000553546631 867634444 /nfs/dbraw/zinc/63/44/44/867634444.db2.gz DSUNXDZWLRNCAF-OEMFJLHTSA-N 2 1 399.623 3.908 20 0 GHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000553546631 867634449 /nfs/dbraw/zinc/63/44/49/867634449.db2.gz DSUNXDZWLRNCAF-OEMFJLHTSA-N 2 1 399.623 3.908 20 0 GHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000553546631 867634454 /nfs/dbraw/zinc/63/44/54/867634454.db2.gz DSUNXDZWLRNCAF-OEMFJLHTSA-N 2 1 399.623 3.908 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000857200789 882111249 /nfs/dbraw/zinc/11/12/49/882111249.db2.gz MMZWPCXWVQRKFC-WOJBJXKFSA-N 2 1 391.559 3.775 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)cc1)C1CC1 ZINC000534924448 867776067 /nfs/dbraw/zinc/77/60/67/867776067.db2.gz QIMDONYURBZOJZ-UHFFFAOYSA-N 2 1 395.547 3.581 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000445115776 867801556 /nfs/dbraw/zinc/80/15/56/867801556.db2.gz QKGLBHQRBZYFQF-KRWDZBQOSA-N 2 1 383.540 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000445115776 867801566 /nfs/dbraw/zinc/80/15/66/867801566.db2.gz QKGLBHQRBZYFQF-KRWDZBQOSA-N 2 1 383.540 3.663 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000671098680 868260133 /nfs/dbraw/zinc/26/01/33/868260133.db2.gz SHLUGJNGODTUFX-FDIHYXAFSA-N 2 1 387.612 3.907 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000667545240 868397816 /nfs/dbraw/zinc/39/78/16/868397816.db2.gz YZUUXYAPTAPSRO-QHCPKHFHSA-N 2 1 385.596 3.522 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)[C@H]1c1cccs1 ZINC000457611599 868538720 /nfs/dbraw/zinc/53/87/20/868538720.db2.gz VCPHUZZQCPDQQI-JXFKEZNVSA-N 2 1 375.582 3.512 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000457640599 868559359 /nfs/dbraw/zinc/55/93/59/868559359.db2.gz BZZUXOXWTRHZAF-LJQANCHMSA-N 2 1 388.600 3.981 20 0 GHADMP CN(C(=O)c1cnc2ccccc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457655666 868583675 /nfs/dbraw/zinc/58/36/75/868583675.db2.gz BSNHLTGFLDAAFL-PKTZIBPZSA-N 2 1 394.563 3.644 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000157532702 868679438 /nfs/dbraw/zinc/67/94/38/868679438.db2.gz DBAJELLXQQCYAB-LJQANCHMSA-N 2 1 397.567 3.559 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000429544016 882279177 /nfs/dbraw/zinc/27/91/77/882279177.db2.gz ZPIPFCOOCJEQHX-WOJBJXKFSA-N 2 1 384.520 3.635 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000429544016 882279188 /nfs/dbraw/zinc/27/91/88/882279188.db2.gz ZPIPFCOOCJEQHX-WOJBJXKFSA-N 2 1 384.520 3.635 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccsc1 ZINC000524619251 869351408 /nfs/dbraw/zinc/35/14/08/869351408.db2.gz PSTKIOFJROXUOD-WOJBJXKFSA-N 2 1 392.613 3.695 20 0 GHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000446207099 869544134 /nfs/dbraw/zinc/54/41/34/869544134.db2.gz SMMWCLILXFRSBM-LJQANCHMSA-N 2 1 388.556 3.597 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000446207099 869544148 /nfs/dbraw/zinc/54/41/48/869544148.db2.gz SMMWCLILXFRSBM-LJQANCHMSA-N 2 1 388.556 3.597 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000191000166 882336551 /nfs/dbraw/zinc/33/65/51/882336551.db2.gz RQRUDNXLFGLAJA-UHFFFAOYSA-N 2 1 395.950 3.683 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000524923855 869794319 /nfs/dbraw/zinc/79/43/19/869794319.db2.gz CXRHJSSZHAJCIR-PZJWPPBQSA-N 2 1 388.600 3.659 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)CC1 ZINC000539872368 869941487 /nfs/dbraw/zinc/94/14/87/869941487.db2.gz CBXJAXDTBSQZHE-YADHBBJMSA-N 2 1 384.568 3.709 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539951697 870077097 /nfs/dbraw/zinc/07/70/97/870077097.db2.gz WRLRJGKJIDBSKB-IBGZPJMESA-N 3 1 393.019 3.836 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000539951697 870077101 /nfs/dbraw/zinc/07/71/01/870077101.db2.gz WRLRJGKJIDBSKB-IBGZPJMESA-N 2 1 393.019 3.836 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000539951697 870077109 /nfs/dbraw/zinc/07/71/09/870077109.db2.gz WRLRJGKJIDBSKB-IBGZPJMESA-N 2 1 393.019 3.836 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCSc4ccccc43)c2)C1 ZINC000247967922 870247010 /nfs/dbraw/zinc/24/70/10/870247010.db2.gz GZGWJCAMKKJXBZ-CTNGQTDRSA-N 2 1 395.572 3.711 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001192271342 870254069 /nfs/dbraw/zinc/25/40/69/870254069.db2.gz GOMRDIKOZOXSEV-DEOSSOPVSA-N 2 1 395.591 3.778 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001192271342 870254086 /nfs/dbraw/zinc/25/40/86/870254086.db2.gz GOMRDIKOZOXSEV-DEOSSOPVSA-N 2 1 395.591 3.778 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001192271342 870254105 /nfs/dbraw/zinc/25/41/05/870254105.db2.gz GOMRDIKOZOXSEV-DEOSSOPVSA-N 2 1 395.591 3.778 20 0 GHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000248033552 870266067 /nfs/dbraw/zinc/26/60/67/870266067.db2.gz UHBBYWLCRWPMAJ-GOSISDBHSA-N 2 1 392.503 3.560 20 0 GHADMP Cc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1C ZINC000248172068 870308475 /nfs/dbraw/zinc/30/84/75/870308475.db2.gz UYIBRSPJGONKMK-SIKLNZKXSA-N 2 1 379.548 3.852 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000060238655 882399293 /nfs/dbraw/zinc/39/92/93/882399293.db2.gz SBWJBSIKPFONNF-BJKOFHAPSA-N 2 1 391.559 3.913 20 0 GHADMP c1cnn(-c2ncccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248407915 870381933 /nfs/dbraw/zinc/38/19/33/870381933.db2.gz UVIVKQSFDRSQDE-YTFSRNRJSA-N 2 1 387.531 3.658 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nc2ccc(Cl)cc2n1C ZINC000248428776 870408320 /nfs/dbraw/zinc/40/83/20/870408320.db2.gz AWISTKDPBIOTOE-DNVCBOLYSA-N 2 1 398.938 3.644 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nc2ccc(Cl)cc2n1C ZINC000248428776 870408329 /nfs/dbraw/zinc/40/83/29/870408329.db2.gz AWISTKDPBIOTOE-DNVCBOLYSA-N 2 1 398.938 3.644 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+]([C@@H](C)c2cnccn2)CC1)[C@H](C)c1cnccn1 ZINC000248619724 870545034 /nfs/dbraw/zinc/54/50/34/870545034.db2.gz MDVMBJXLAVHUIW-MOPGFXCFSA-N 2 1 382.556 3.903 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000122112915 882420635 /nfs/dbraw/zinc/42/06/35/882420635.db2.gz PWRXCIQNAFWUHE-MRXNPFEDSA-N 2 1 392.569 3.930 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000122112915 882420641 /nfs/dbraw/zinc/42/06/41/882420641.db2.gz PWRXCIQNAFWUHE-MRXNPFEDSA-N 2 1 392.569 3.930 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000525392527 870601269 /nfs/dbraw/zinc/60/12/69/870601269.db2.gz NPQIFBGXYFHCKT-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000525392527 870601280 /nfs/dbraw/zinc/60/12/80/870601280.db2.gz NPQIFBGXYFHCKT-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000525392527 870601284 /nfs/dbraw/zinc/60/12/84/870601284.db2.gz NPQIFBGXYFHCKT-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000540171120 870655567 /nfs/dbraw/zinc/65/55/67/870655567.db2.gz RLPHSJDCQNLDQR-PKTZIBPZSA-N 2 1 390.568 3.866 20 0 GHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1 ZINC000540171164 870656024 /nfs/dbraw/zinc/65/60/24/870656024.db2.gz TTYMGFZAIFKIFA-OKZBNKHCSA-N 2 1 395.975 3.845 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)cc1 ZINC000540177701 870689857 /nfs/dbraw/zinc/68/98/57/870689857.db2.gz JHJYRRLQTHNMPN-AWEZNQCLSA-N 2 1 394.441 3.775 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC000540192947 870690070 /nfs/dbraw/zinc/69/00/70/870690070.db2.gz VFWRNJCGGZMTON-LJQANCHMSA-N 2 1 381.358 3.991 20 0 GHADMP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000249214545 870791407 /nfs/dbraw/zinc/79/14/07/870791407.db2.gz ZLTXEEBGVFJPKY-QHAWAJNXSA-N 2 1 395.513 3.761 20 0 GHADMP Cc1ncn(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1CSCC[NH3+] ZINC001168798205 870843132 /nfs/dbraw/zinc/84/31/32/870843132.db2.gz XENMYOCBWVLGSQ-UHFFFAOYSA-N 2 1 378.545 3.888 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000463076213 870847734 /nfs/dbraw/zinc/84/77/34/870847734.db2.gz ILWGNFKYIYLDFB-JOCHJYFZSA-N 2 1 397.611 3.617 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCC[C@@H](C)C4)CC3)C2=O)cc1 ZINC000249517935 870854149 /nfs/dbraw/zinc/85/41/49/870854149.db2.gz KLISWCDXUAHZRS-OIBXWCBGSA-N 2 1 383.580 3.729 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831283 870887369 /nfs/dbraw/zinc/88/73/69/870887369.db2.gz BNKNXTLJQBPQTD-QFBILLFUSA-N 2 1 391.531 3.559 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC001193092703 870902797 /nfs/dbraw/zinc/90/27/97/870902797.db2.gz GOWWYUNSRGWTNP-CYGODWOOSA-N 2 1 383.511 3.901 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849111 870928596 /nfs/dbraw/zinc/92/85/96/870928596.db2.gz HDLSZWDDRYGODS-ZJPYXAASSA-N 2 1 391.581 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849111 870928605 /nfs/dbraw/zinc/92/86/05/870928605.db2.gz HDLSZWDDRYGODS-ZJPYXAASSA-N 2 1 391.581 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849111 870928617 /nfs/dbraw/zinc/92/86/17/870928617.db2.gz HDLSZWDDRYGODS-ZJPYXAASSA-N 2 1 391.581 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849111 870928625 /nfs/dbraw/zinc/92/86/25/870928625.db2.gz HDLSZWDDRYGODS-ZJPYXAASSA-N 2 1 391.581 3.510 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000122171661 882458026 /nfs/dbraw/zinc/45/80/26/882458026.db2.gz XJWLIEGVDUDUKD-MRXNPFEDSA-N 2 1 392.569 3.930 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000122171661 882458029 /nfs/dbraw/zinc/45/80/29/882458029.db2.gz XJWLIEGVDUDUKD-MRXNPFEDSA-N 2 1 392.569 3.930 20 0 GHADMP C[C@H]1C[C@H](NCC2([NH+]3CCSCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463147295 870975018 /nfs/dbraw/zinc/97/50/18/870975018.db2.gz UZHYYNQFSLPCDT-RBBKRZOGSA-N 2 1 387.637 3.991 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463147295 870975044 /nfs/dbraw/zinc/97/50/44/870975044.db2.gz UZHYYNQFSLPCDT-RBBKRZOGSA-N 2 1 387.637 3.991 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463147295 870975057 /nfs/dbraw/zinc/97/50/57/870975057.db2.gz UZHYYNQFSLPCDT-RBBKRZOGSA-N 2 1 387.637 3.991 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]C2CCN(c3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000463133540 870977977 /nfs/dbraw/zinc/97/79/77/870977977.db2.gz TZVWMRSXYFQGBF-VWLOTQADSA-N 2 1 392.591 3.624 20 0 GHADMP O=C1CCCN1Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000078913994 871014155 /nfs/dbraw/zinc/01/41/55/871014155.db2.gz FSCXNYACGSRXJT-UHFFFAOYSA-N 2 1 377.532 3.563 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000506323595 871063308 /nfs/dbraw/zinc/06/33/08/871063308.db2.gz ATCMRYNULVWIBW-UHFFFAOYSA-N 2 1 383.330 3.525 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000506323595 871063326 /nfs/dbraw/zinc/06/33/26/871063326.db2.gz ATCMRYNULVWIBW-UHFFFAOYSA-N 2 1 383.330 3.525 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000540343161 871067799 /nfs/dbraw/zinc/06/77/99/871067799.db2.gz OADRLTOLKXDMEQ-JZWVFAODSA-N 2 1 395.547 3.515 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccccc3F)C(C)C)CC2)CC1 ZINC000617994724 871106542 /nfs/dbraw/zinc/10/65/42/871106542.db2.gz RLLDWCDCUUEGAS-QFIPXVFZSA-N 2 1 389.559 3.835 20 0 GHADMP Cc1ncc([C@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)c(C)n1 ZINC000540394339 871161295 /nfs/dbraw/zinc/16/12/95/871161295.db2.gz NTTVIDMQRBFYNL-OTWHNJEPSA-N 2 1 396.579 3.953 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000461923327 871227223 /nfs/dbraw/zinc/22/72/23/871227223.db2.gz YTTAYMLTQZPRPR-UHFFFAOYSA-N 2 1 382.508 3.551 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463238575 871228462 /nfs/dbraw/zinc/22/84/62/871228462.db2.gz VZPQTRGKQKKXNW-LZQXYRQZSA-N 2 1 382.523 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463238575 871228481 /nfs/dbraw/zinc/22/84/81/871228481.db2.gz VZPQTRGKQKKXNW-LZQXYRQZSA-N 2 1 382.523 3.934 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CCS2 ZINC000191498578 882491532 /nfs/dbraw/zinc/49/15/32/882491532.db2.gz OHCYJGGDZPVOGY-QFIPXVFZSA-N 2 1 397.588 3.769 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000539071992 871257651 /nfs/dbraw/zinc/25/76/51/871257651.db2.gz ZZVRRAKQJDMBDT-XLIONFOSSA-N 2 1 380.511 3.755 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)c1 ZINC001169150463 871263417 /nfs/dbraw/zinc/26/34/17/871263417.db2.gz SMLHRWZUOKFRMS-DEOSSOPVSA-N 2 1 391.559 3.985 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(Cc4cc(Br)ccc4O3)CC1)C2 ZINC001169152690 871265246 /nfs/dbraw/zinc/26/52/46/871265246.db2.gz CPYFTDVGCXLMAI-PIIMJCKOSA-N 2 1 391.353 3.844 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000539075690 871265168 /nfs/dbraw/zinc/26/51/68/871265168.db2.gz FFZSWXYJDCTEQY-DYESRHJHSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000539075690 871265179 /nfs/dbraw/zinc/26/51/79/871265179.db2.gz FFZSWXYJDCTEQY-DYESRHJHSA-N 2 1 385.939 3.570 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C2CC2)cc1 ZINC000091288699 871269456 /nfs/dbraw/zinc/26/94/56/871269456.db2.gz VHKRPCNGQHLEQQ-DEOSSOPVSA-N 2 1 379.548 3.684 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463279624 871316566 /nfs/dbraw/zinc/31/65/66/871316566.db2.gz KEPNZFRKVLDUMG-FXAWDEMLSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463279624 871316578 /nfs/dbraw/zinc/31/65/78/871316578.db2.gz KEPNZFRKVLDUMG-FXAWDEMLSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@H]1C[N@H+](Cc2cc(Br)c(Br)o2)CCC[C@@H]1C[NH3+] ZINC001206005935 871397882 /nfs/dbraw/zinc/39/78/82/871397882.db2.gz ZJRLUZKSBRJORP-VHSXEESVSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(Br)c(Br)o2)CCC[C@@H]1C[NH3+] ZINC001206005935 871397905 /nfs/dbraw/zinc/39/79/05/871397905.db2.gz ZJRLUZKSBRJORP-VHSXEESVSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000463363504 871538049 /nfs/dbraw/zinc/53/80/49/871538049.db2.gz YDTITIKOLVDNMW-RDJZCZTQSA-N 2 1 399.373 3.735 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cc1OCCCO ZINC000463363504 871538057 /nfs/dbraw/zinc/53/80/57/871538057.db2.gz YDTITIKOLVDNMW-RDJZCZTQSA-N 2 1 399.373 3.735 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cc1OCCCO ZINC000463364311 871538965 /nfs/dbraw/zinc/53/89/65/871538965.db2.gz FZCAHMXDSJAKDF-MRXNPFEDSA-N 2 1 399.373 3.737 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001169476715 871550069 /nfs/dbraw/zinc/55/00/69/871550069.db2.gz SDKHNLGCFTXTNH-MRXNPFEDSA-N 2 1 388.943 3.657 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001169667467 871737707 /nfs/dbraw/zinc/73/77/07/871737707.db2.gz BKNJHPMQIRDTGY-SFHVURJKSA-N 2 1 379.932 3.601 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169708112 871791198 /nfs/dbraw/zinc/79/11/98/871791198.db2.gz YDGZHNWDDUFJRA-JOCHJYFZSA-N 2 1 387.568 3.841 20 0 GHADMP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821222 871850370 /nfs/dbraw/zinc/85/03/70/871850370.db2.gz SESQYASLSZBVAQ-VAMGGRTRSA-N 2 1 386.584 3.513 20 0 GHADMP COc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)ccc1OCCO ZINC000552040178 871920426 /nfs/dbraw/zinc/92/04/26/871920426.db2.gz IBNDZOGLBYFWFY-UHFFFAOYSA-N 2 1 398.547 3.599 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000552046087 871931216 /nfs/dbraw/zinc/93/12/16/871931216.db2.gz XSULGERMIOUJGS-IBGZPJMESA-N 2 1 385.474 3.654 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552062927 871961398 /nfs/dbraw/zinc/96/13/98/871961398.db2.gz KCKVRKXKVYYWIP-CWRNSKLLSA-N 2 1 391.865 3.985 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000477917309 872176166 /nfs/dbraw/zinc/17/61/66/872176166.db2.gz GQARIRDENKCBQB-YHYVQYDKSA-N 2 1 387.543 3.559 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732831 872217020 /nfs/dbraw/zinc/21/70/20/872217020.db2.gz YGCGUDOQIGAVRK-FQEVSTJZSA-N 2 1 383.536 3.833 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000093563945 872273747 /nfs/dbraw/zinc/27/37/47/872273747.db2.gz FJWFREMIJOJUGX-QHCPKHFHSA-N 3 1 384.612 3.667 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000093563945 872273764 /nfs/dbraw/zinc/27/37/64/872273764.db2.gz FJWFREMIJOJUGX-QHCPKHFHSA-N 3 1 384.612 3.667 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nncn2-c2ccccc2)CC1 ZINC000552253488 872339098 /nfs/dbraw/zinc/33/90/98/872339098.db2.gz FYJDABZPZTVQHC-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP COc1ccc2c(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)cc[nH+]c2c1 ZINC000767312586 872415706 /nfs/dbraw/zinc/41/57/06/872415706.db2.gz SOQCVLYADSSROJ-IBGZPJMESA-N 2 1 377.488 3.812 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)c2C)cc1 ZINC000463748050 872496920 /nfs/dbraw/zinc/49/69/20/872496920.db2.gz DZSLHRZLCOUYTL-NRFANRHFSA-N 2 1 384.568 3.767 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)c2C)cc1 ZINC000463748050 872496929 /nfs/dbraw/zinc/49/69/29/872496929.db2.gz DZSLHRZLCOUYTL-NRFANRHFSA-N 2 1 384.568 3.767 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000527066412 872549487 /nfs/dbraw/zinc/54/94/87/872549487.db2.gz NQBBUILPMZUJSZ-YFNKSVMNSA-N 2 1 394.563 3.607 20 0 GHADMP Cc1[nH+]ccn1CCCOC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000767626227 872719331 /nfs/dbraw/zinc/71/93/31/872719331.db2.gz COBMWVSYTBMGAW-GOSISDBHSA-N 2 1 385.508 3.692 20 0 GHADMP Cc1[nH+]ccn1CCCOC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000767626227 872719339 /nfs/dbraw/zinc/71/93/39/872719339.db2.gz COBMWVSYTBMGAW-GOSISDBHSA-N 2 1 385.508 3.692 20 0 GHADMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541150503 873030064 /nfs/dbraw/zinc/03/00/64/873030064.db2.gz QBAHJERWHYQGLS-MSOLQXFVSA-N 2 1 398.954 3.596 20 0 GHADMP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541150503 873030079 /nfs/dbraw/zinc/03/00/79/873030079.db2.gz QBAHJERWHYQGLS-MSOLQXFVSA-N 2 1 398.954 3.596 20 0 GHADMP CCc1cnccc1[C@@H](C)[NH2+]CC1(C[NH2+][C@H](C)c2ccncc2CC)COC1 ZINC000541194231 873094285 /nfs/dbraw/zinc/09/42/85/873094285.db2.gz YWYIAUWMMZPOLP-QZTJIDSGSA-N 2 1 382.552 3.619 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)C[C@H](C)O1 ZINC000541223320 873186952 /nfs/dbraw/zinc/18/69/52/873186952.db2.gz FWHLPPUYYDMWNZ-IYBDPMFKSA-N 2 1 378.944 3.596 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(Cl)cc4c3OCC4)CC2)C[C@H](C)O1 ZINC000541223320 873186960 /nfs/dbraw/zinc/18/69/60/873186960.db2.gz FWHLPPUYYDMWNZ-IYBDPMFKSA-N 2 1 378.944 3.596 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495288 873353417 /nfs/dbraw/zinc/35/34/17/873353417.db2.gz PFIPGZMDTZXYSG-FGZHOGPDSA-N 2 1 390.531 3.989 20 0 GHADMP COCC[N@H+](Cc1ccc(Cl)c(Br)c1)CC1CC[NH+](C)CC1 ZINC001196782330 873386536 /nfs/dbraw/zinc/38/65/36/873386536.db2.gz PBLOJJLDWXGNHX-UHFFFAOYSA-N 2 1 389.765 3.893 20 0 GHADMP Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nc1 ZINC000858012303 882717455 /nfs/dbraw/zinc/71/74/55/882717455.db2.gz ZGJHZRSLJTWQGV-JOCHJYFZSA-N 2 1 381.520 3.518 20 0 GHADMP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000768678337 873449511 /nfs/dbraw/zinc/44/95/11/873449511.db2.gz NJFVXWOEIGGIHD-VAMGGRTRSA-N 2 1 397.604 3.645 20 0 GHADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541407173 873496701 /nfs/dbraw/zinc/49/67/01/873496701.db2.gz MHTTVDIWHFXZGK-HXUWFJFHSA-N 2 1 386.584 3.731 20 0 GHADMP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541424540 873537798 /nfs/dbraw/zinc/53/77/98/873537798.db2.gz AHHUNHBOIMKXFJ-IBGZPJMESA-N 2 1 386.584 3.826 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541424540 873537811 /nfs/dbraw/zinc/53/78/11/873537811.db2.gz AHHUNHBOIMKXFJ-IBGZPJMESA-N 2 1 386.584 3.826 20 0 GHADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000527764485 873539396 /nfs/dbraw/zinc/53/93/96/873539396.db2.gz VMKUDAXFUCJHKJ-BJKOFHAPSA-N 2 1 395.591 3.668 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000541409130 873543287 /nfs/dbraw/zinc/54/32/87/873543287.db2.gz WLQMUWLLFZMHPP-OAQYLSRUSA-N 2 1 394.563 3.871 20 0 GHADMP COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000527972939 873814210 /nfs/dbraw/zinc/81/42/10/873814210.db2.gz ZSBULAGXNZFLHE-FGCOXFRFSA-N 2 1 393.575 3.770 20 0 GHADMP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000527972941 873814890 /nfs/dbraw/zinc/81/48/90/873814890.db2.gz ZSBULAGXNZFLHE-TUACAJSNSA-N 2 1 393.575 3.770 20 0 GHADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882712 882762052 /nfs/dbraw/zinc/76/20/52/882762052.db2.gz RPBSTDWMQMEIMH-YTFSRNRJSA-N 2 1 386.580 3.710 20 0 GHADMP COc1cncc(/C=C\CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001197911337 874129314 /nfs/dbraw/zinc/12/93/14/874129314.db2.gz MTZLAJCKGOCCKC-BIORBDPISA-N 2 1 377.532 3.947 20 0 GHADMP COc1cncc(/C=C\CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001197911337 874129317 /nfs/dbraw/zinc/12/93/17/874129317.db2.gz MTZLAJCKGOCCKC-BIORBDPISA-N 2 1 377.532 3.947 20 0 GHADMP COc1cncc(/C=C\CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001197911337 874129321 /nfs/dbraw/zinc/12/93/21/874129321.db2.gz MTZLAJCKGOCCKC-BIORBDPISA-N 2 1 377.532 3.947 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000449098738 874470955 /nfs/dbraw/zinc/47/09/55/874470955.db2.gz KLTAORZIENOAIS-SFHVURJKSA-N 2 1 388.577 3.824 20 0 GHADMP c1nc(CCc2ccccc2)sc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449160490 874556061 /nfs/dbraw/zinc/55/60/61/874556061.db2.gz LYQCBTRKNZYOPR-LJQANCHMSA-N 2 1 385.577 3.519 20 0 GHADMP Fc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000449160980 874559543 /nfs/dbraw/zinc/55/95/43/874559543.db2.gz NRCYKLJAEIDCKE-OAHLLOKOSA-N 2 1 375.513 3.540 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235086 874602446 /nfs/dbraw/zinc/60/24/46/874602446.db2.gz SRQRNUFBJKPWIZ-PKOBYXMFSA-N 2 1 390.449 3.838 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449235086 874602456 /nfs/dbraw/zinc/60/24/56/874602456.db2.gz SRQRNUFBJKPWIZ-PKOBYXMFSA-N 2 1 390.449 3.838 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000770379131 874620173 /nfs/dbraw/zinc/62/01/73/874620173.db2.gz KUDMZGMAMUYBPV-IEBWSBKVSA-N 2 1 391.556 3.505 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(F)cc2)n1 ZINC000449292200 874702466 /nfs/dbraw/zinc/70/24/66/874702466.db2.gz CDUBHRUBEATWMR-IBGZPJMESA-N 2 1 378.495 3.838 20 0 GHADMP COc1cc2ccccc2cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000449328692 874710610 /nfs/dbraw/zinc/71/06/10/874710610.db2.gz KQLIQGBHHYBDIY-UHFFFAOYSA-N 2 1 379.504 3.864 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1Cl ZINC000476685447 882870363 /nfs/dbraw/zinc/87/03/63/882870363.db2.gz ZWWXOYRKBPNODJ-FQEVSTJZSA-N 2 1 394.991 3.898 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CCOc4ccccc43)cc2)C[C@H](C)O1 ZINC001199237823 874868167 /nfs/dbraw/zinc/86/81/67/874868167.db2.gz HNVYPVSFDWTFIF-JQVVWYNYSA-N 2 1 380.532 3.952 20 0 GHADMP COCC[N@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001199248937 874873595 /nfs/dbraw/zinc/87/35/95/874873595.db2.gz ZDUMXYDOOOYEOT-UHFFFAOYSA-N 2 1 392.975 3.881 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001199248937 874873599 /nfs/dbraw/zinc/87/35/99/874873599.db2.gz ZDUMXYDOOOYEOT-UHFFFAOYSA-N 2 1 392.975 3.881 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000464976090 874877977 /nfs/dbraw/zinc/87/79/77/874877977.db2.gz XTAXVVVNOQVLCH-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000464976090 874877988 /nfs/dbraw/zinc/87/79/88/874877988.db2.gz XTAXVVVNOQVLCH-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000464976090 874877999 /nfs/dbraw/zinc/87/79/99/874877999.db2.gz XTAXVVVNOQVLCH-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000449480784 874913469 /nfs/dbraw/zinc/91/34/69/874913469.db2.gz ZQLWFOZWKCGOEM-UHFFFAOYSA-N 2 1 375.520 3.720 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C)c3ncccc3c2)CC1 ZINC001199329338 874928929 /nfs/dbraw/zinc/92/89/29/874928929.db2.gz QUGFUDVIRGWETK-UHFFFAOYSA-N 2 1 388.559 3.971 20 0 GHADMP CSc1ccccc1C[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000542144005 875018292 /nfs/dbraw/zinc/01/82/92/875018292.db2.gz PSQKCKUONVLDFV-IEBWSBKVSA-N 2 1 389.634 3.979 20 0 GHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C[C@H]2CC=CCC2)C3)c1 ZINC001201411537 875672750 /nfs/dbraw/zinc/67/27/50/875672750.db2.gz QDAMBEKIEGYMTA-TUSQITKMSA-N 2 1 395.591 3.988 20 0 GHADMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C[C@H]2CC=CCC2)C3)c1 ZINC001201411537 875672753 /nfs/dbraw/zinc/67/27/53/875672753.db2.gz QDAMBEKIEGYMTA-TUSQITKMSA-N 2 1 395.591 3.988 20 0 GHADMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C[C@H]2CC=CCC2)C3)c1 ZINC001201411537 875672758 /nfs/dbraw/zinc/67/27/58/875672758.db2.gz QDAMBEKIEGYMTA-TUSQITKMSA-N 2 1 395.591 3.988 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000858244721 882971272 /nfs/dbraw/zinc/97/12/72/882971272.db2.gz FRLXGSFNORTOJE-KRWDZBQOSA-N 2 1 378.923 3.854 20 0 GHADMP CCC[C@H]1CCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450057155 875874220 /nfs/dbraw/zinc/87/42/20/875874220.db2.gz CVEZGNPHROBLQX-RBBKRZOGSA-N 2 1 377.617 3.858 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000303647710 875898051 /nfs/dbraw/zinc/89/80/51/875898051.db2.gz SYYFOROZROZNAH-AVAPBHFXSA-N 2 1 398.595 3.746 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303647710 875898055 /nfs/dbraw/zinc/89/80/55/875898055.db2.gz SYYFOROZROZNAH-AVAPBHFXSA-N 2 1 398.595 3.746 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000303647710 875898066 /nfs/dbraw/zinc/89/80/66/875898066.db2.gz SYYFOROZROZNAH-AVAPBHFXSA-N 2 1 398.595 3.746 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2ccccc2Br)CC1 ZINC000192727306 882998770 /nfs/dbraw/zinc/99/87/70/882998770.db2.gz SSLLDAUDGYBSRT-KRWDZBQOSA-N 2 1 382.390 3.858 20 0 GHADMP C[C@H]1C[C@@H](N(C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@@H+]1C ZINC000529526899 876289650 /nfs/dbraw/zinc/28/96/50/876289650.db2.gz ANUPFQWVTWGPOG-AAEUAGOBSA-N 2 1 383.359 3.815 20 0 GHADMP C[C@H]1C[C@@H](N(C)Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000529526899 876289656 /nfs/dbraw/zinc/28/96/56/876289656.db2.gz ANUPFQWVTWGPOG-AAEUAGOBSA-N 2 1 383.359 3.815 20 0 GHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450422770 876405718 /nfs/dbraw/zinc/40/57/18/876405718.db2.gz WBJXWUFHZPTISB-GOSISDBHSA-N 2 1 382.552 3.627 20 0 GHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[N@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450422770 876405724 /nfs/dbraw/zinc/40/57/24/876405724.db2.gz WBJXWUFHZPTISB-GOSISDBHSA-N 2 1 382.552 3.627 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000192920106 883046232 /nfs/dbraw/zinc/04/62/32/883046232.db2.gz UGMVXGLGHSEYSG-GOSISDBHSA-N 2 1 376.447 3.908 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173748868 876606669 /nfs/dbraw/zinc/60/66/69/876606669.db2.gz NMRRTMOEGMOXHN-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953483 876741084 /nfs/dbraw/zinc/74/10/84/876741084.db2.gz MNMCTMKWIXRPSQ-UHFFFAOYSA-N 2 1 387.568 3.634 20 0 GHADMP CCSCC[C@@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000174038340 876790934 /nfs/dbraw/zinc/79/09/34/876790934.db2.gz DWXHCJBKQUHLLB-LJQANCHMSA-N 2 1 391.625 3.539 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3cc(C)c4ccc(C)cc4n3)C2)CC1 ZINC000450749382 876851169 /nfs/dbraw/zinc/85/11/69/876851169.db2.gz YDCQIAJTGJWGPN-NRFANRHFSA-N 2 1 394.563 3.622 20 0 GHADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000786835315 876952832 /nfs/dbraw/zinc/95/28/32/876952832.db2.gz IPFGXEFDPHEXHN-OALUTQOASA-N 2 1 380.536 3.777 20 0 GHADMP C[C@H](CC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000786835321 876953499 /nfs/dbraw/zinc/95/34/99/876953499.db2.gz IPFGXEFDPHEXHN-RTBURBONSA-N 2 1 380.536 3.777 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000109370546 876999571 /nfs/dbraw/zinc/99/95/71/876999571.db2.gz LPGPRJWJAADPHV-QHCPKHFHSA-N 2 1 383.580 3.812 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000537671423 883086354 /nfs/dbraw/zinc/08/63/54/883086354.db2.gz WVIJPBZVTSWOLT-UHFFFAOYSA-N 2 1 386.584 3.909 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000174431782 877021719 /nfs/dbraw/zinc/02/17/19/877021719.db2.gz FGULNBGHQCLPPV-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581002 877054320 /nfs/dbraw/zinc/05/43/20/877054320.db2.gz CHRIZWVSUNVSDW-UAOJZALGSA-N 2 1 378.438 3.638 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134900798 883098436 /nfs/dbraw/zinc/09/84/36/883098436.db2.gz PWMNRXQGLMUWLI-SIXWZSSISA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134900798 883098448 /nfs/dbraw/zinc/09/84/48/883098448.db2.gz PWMNRXQGLMUWLI-SIXWZSSISA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134900798 883098459 /nfs/dbraw/zinc/09/84/59/883098459.db2.gz PWMNRXQGLMUWLI-SIXWZSSISA-N 2 1 399.362 3.682 20 0 GHADMP c1cc([C@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](c4ccncc4)C3)C2)ccn1 ZINC000451008527 877224765 /nfs/dbraw/zinc/22/47/65/877224765.db2.gz XQLUYQDWNWQFSC-ZEQRLZLVSA-N 2 1 394.563 3.552 20 0 GHADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000263278679 877290278 /nfs/dbraw/zinc/29/02/78/877290278.db2.gz TWLXTQQBUCSCAE-QUCCMNQESA-N 2 1 397.485 3.647 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216571 877327252 /nfs/dbraw/zinc/32/72/52/877327252.db2.gz BOEPBHCHMCFGSZ-IAQYHMDHSA-N 2 1 389.849 3.950 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1ccc(C[NH2+]C)cc1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183050814 912223150 /nfs/dbraw/zinc/22/31/50/912223150.db2.gz KVHHZONISOAUSR-SFHVURJKSA-N 2 1 383.536 3.783 20 0 GHADMP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1Cl ZINC000551535362 877397670 /nfs/dbraw/zinc/39/76/70/877397670.db2.gz WNWAYQRUOKKEEN-INIZCTEOSA-N 2 1 395.975 3.721 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000642630853 912230310 /nfs/dbraw/zinc/23/03/10/912230310.db2.gz NUCMRBVBAXLFQU-SFTDATJTSA-N 2 1 396.531 3.999 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000642630853 912230369 /nfs/dbraw/zinc/23/03/69/912230369.db2.gz NUCMRBVBAXLFQU-SFTDATJTSA-N 2 1 396.531 3.999 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000551538363 877403751 /nfs/dbraw/zinc/40/37/51/877403751.db2.gz HXVFRHPQBWSRJF-ZHNGQKSSSA-N 2 1 399.604 3.827 20 0 GHADMP FC(F)Oc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996709 877430886 /nfs/dbraw/zinc/43/08/86/877430886.db2.gz BAACPWPPKGAVEJ-CYBMUJFWSA-N 2 1 375.257 3.815 20 0 GHADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000263308720 877632040 /nfs/dbraw/zinc/63/20/40/877632040.db2.gz YFVMOXDWQUICBV-ICSRJNTNSA-N 2 1 397.485 3.694 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000615607843 877915221 /nfs/dbraw/zinc/91/52/21/877915221.db2.gz MHFSWJQMICCPQA-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000615607843 877915229 /nfs/dbraw/zinc/91/52/29/877915229.db2.gz MHFSWJQMICCPQA-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000615607843 877915234 /nfs/dbraw/zinc/91/52/34/877915234.db2.gz MHFSWJQMICCPQA-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP C[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCC[C@@H]1C ZINC000615672175 877998782 /nfs/dbraw/zinc/99/87/82/877998782.db2.gz MOPFFCRVRBJFHX-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000615672175 877998793 /nfs/dbraw/zinc/99/87/93/877998793.db2.gz MOPFFCRVRBJFHX-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000615672175 877998806 /nfs/dbraw/zinc/99/88/06/877998806.db2.gz MOPFFCRVRBJFHX-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000176013372 878037244 /nfs/dbraw/zinc/03/72/44/878037244.db2.gz NOHIHAATNWWXGN-FQEVSTJZSA-N 2 1 398.595 3.699 20 0 GHADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)CC2 ZINC000477725226 878078536 /nfs/dbraw/zinc/07/85/36/878078536.db2.gz YOUHWVQDVNBOIT-BXXSPATCSA-N 2 1 378.564 3.822 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(Br)ccc1F ZINC000788541091 878136505 /nfs/dbraw/zinc/13/65/05/878136505.db2.gz CFUQEFCAPHXSMZ-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000285506615 912317733 /nfs/dbraw/zinc/31/77/33/912317733.db2.gz QKFAWTZRKSGYOG-NSHDSACASA-N 2 1 388.821 3.871 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000788669646 878262629 /nfs/dbraw/zinc/26/26/29/878262629.db2.gz FOCJTSQIHKPCKR-VAMGGRTRSA-N 2 1 381.605 3.980 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000537766112 878264163 /nfs/dbraw/zinc/26/41/63/878264163.db2.gz AMECZZIMPZJXSU-OXFYSEKESA-N 2 1 391.506 3.703 20 0 GHADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2C[C@H](C)C(O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000852502174 878380418 /nfs/dbraw/zinc/38/04/18/878380418.db2.gz BIDIJKNELQSTKM-YKZCJQPKSA-N 2 1 382.633 3.615 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1)CC1CC1 ZINC000537848564 878388900 /nfs/dbraw/zinc/38/89/00/878388900.db2.gz ILOLWMFQYYAEGM-UHFFFAOYSA-N 2 1 385.581 3.934 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1)CC1CC1 ZINC000537848564 878388918 /nfs/dbraw/zinc/38/89/18/878388918.db2.gz ILOLWMFQYYAEGM-UHFFFAOYSA-N 2 1 385.581 3.934 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245758757 878556424 /nfs/dbraw/zinc/55/64/24/878556424.db2.gz VGIMAKKOUPUEBY-BKFWDETESA-N 3 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245758757 878556442 /nfs/dbraw/zinc/55/64/42/878556442.db2.gz VGIMAKKOUPUEBY-BKFWDETESA-N 2 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1cccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245758757 878556456 /nfs/dbraw/zinc/55/64/56/878556456.db2.gz VGIMAKKOUPUEBY-BKFWDETESA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000177332889 878652445 /nfs/dbraw/zinc/65/24/45/878652445.db2.gz ZDEANEZJEBFCPR-IBGZPJMESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538044195 878752531 /nfs/dbraw/zinc/75/25/31/878752531.db2.gz BBTNNBJNJDWJHY-KURKYZTESA-N 2 1 380.960 3.991 20 0 GHADMP COc1ccc2c(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc(=O)oc2c1 ZINC000789352987 878840472 /nfs/dbraw/zinc/84/04/72/878840472.db2.gz PDQRAIDGFBGRND-UHFFFAOYSA-N 2 1 393.487 3.714 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000246115892 879007481 /nfs/dbraw/zinc/00/74/81/879007481.db2.gz QEPNYCPUOWGWQT-PKTZIBPZSA-N 2 1 379.548 3.871 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000246155085 879064804 /nfs/dbraw/zinc/06/48/04/879064804.db2.gz KLPNCUXLVRCUSN-AVAPBHFXSA-N 2 1 398.595 3.698 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246155085 879064814 /nfs/dbraw/zinc/06/48/14/879064814.db2.gz KLPNCUXLVRCUSN-AVAPBHFXSA-N 2 1 398.595 3.698 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000246155085 879064826 /nfs/dbraw/zinc/06/48/26/879064826.db2.gz KLPNCUXLVRCUSN-AVAPBHFXSA-N 2 1 398.595 3.698 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000246155093 879066398 /nfs/dbraw/zinc/06/63/98/879066398.db2.gz KLPNCUXLVRCUSN-UWBMWYGXSA-N 2 1 398.595 3.698 20 0 GHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000246155093 879066413 /nfs/dbraw/zinc/06/64/13/879066413.db2.gz KLPNCUXLVRCUSN-UWBMWYGXSA-N 2 1 398.595 3.698 20 0 GHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000246155093 879066428 /nfs/dbraw/zinc/06/64/28/879066428.db2.gz KLPNCUXLVRCUSN-UWBMWYGXSA-N 2 1 398.595 3.698 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000669999587 879096480 /nfs/dbraw/zinc/09/64/80/879096480.db2.gz XBBANNQUXZTOPV-OAQYLSRUSA-N 2 1 375.944 3.673 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CCCS(=O)(=O)c2ccccc2)CC1 ZINC000178392912 879104100 /nfs/dbraw/zinc/10/41/00/879104100.db2.gz ZMEKPOAKJUVARM-FQEVSTJZSA-N 2 1 392.609 3.827 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000178392912 879104110 /nfs/dbraw/zinc/10/41/10/879104110.db2.gz ZMEKPOAKJUVARM-FQEVSTJZSA-N 2 1 392.609 3.827 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000178392912 879104117 /nfs/dbraw/zinc/10/41/17/879104117.db2.gz ZMEKPOAKJUVARM-FQEVSTJZSA-N 2 1 392.609 3.827 20 0 GHADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375767948 879278718 /nfs/dbraw/zinc/27/87/18/879278718.db2.gz KVIJLGWUTVKWRJ-VQIMIIECSA-N 2 1 380.458 3.920 20 0 GHADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375767948 879278736 /nfs/dbraw/zinc/27/87/36/879278736.db2.gz KVIJLGWUTVKWRJ-VQIMIIECSA-N 2 1 380.458 3.920 20 0 GHADMP COc1ccc(C[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1OC(F)F ZINC000542466273 879346956 /nfs/dbraw/zinc/34/69/56/879346956.db2.gz UDGZLNCCWNPFOM-UHFFFAOYSA-N 2 1 388.418 3.818 20 0 GHADMP COc1ccc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1OC(F)F ZINC000542466273 879346975 /nfs/dbraw/zinc/34/69/75/879346975.db2.gz UDGZLNCCWNPFOM-UHFFFAOYSA-N 2 1 388.418 3.818 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000643080938 912452247 /nfs/dbraw/zinc/45/22/47/912452247.db2.gz MYNPYTRPBWRXSC-ZJSXRUAMSA-N 2 1 393.531 3.510 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C1 ZINC000246382771 879491345 /nfs/dbraw/zinc/49/13/45/879491345.db2.gz AANCDIQOXJZHCM-IFMALSPDSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000246382771 879491348 /nfs/dbraw/zinc/49/13/48/879491348.db2.gz AANCDIQOXJZHCM-IFMALSPDSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000246382771 879491355 /nfs/dbraw/zinc/49/13/55/879491355.db2.gz AANCDIQOXJZHCM-IFMALSPDSA-N 2 1 392.632 3.793 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000246455265 879577457 /nfs/dbraw/zinc/57/74/57/879577457.db2.gz FQFYZWAPXZWNFY-VJBMBRPKSA-N 2 1 379.548 3.849 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000531323250 879613006 /nfs/dbraw/zinc/61/30/06/879613006.db2.gz LQABYPNEFIUDKG-HXUWFJFHSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000531323250 879613019 /nfs/dbraw/zinc/61/30/19/879613019.db2.gz LQABYPNEFIUDKG-HXUWFJFHSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000531323250 879613029 /nfs/dbraw/zinc/61/30/29/879613029.db2.gz LQABYPNEFIUDKG-HXUWFJFHSA-N 2 1 388.600 3.659 20 0 GHADMP Clc1cccc(-c2noc(CC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000246538580 879664955 /nfs/dbraw/zinc/66/49/55/879664955.db2.gz JSTLOHCDTWKAQX-QFBILLFUSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000246538580 879664959 /nfs/dbraw/zinc/66/49/59/879664959.db2.gz JSTLOHCDTWKAQX-QFBILLFUSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000246538580 879664966 /nfs/dbraw/zinc/66/49/66/879664966.db2.gz JSTLOHCDTWKAQX-QFBILLFUSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000246538580 879664970 /nfs/dbraw/zinc/66/49/70/879664970.db2.gz JSTLOHCDTWKAQX-QFBILLFUSA-N 2 1 386.927 3.881 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461360001 879667019 /nfs/dbraw/zinc/66/70/19/879667019.db2.gz KTNREZXQDBWMFC-OAQYLSRUSA-N 2 1 386.584 3.657 20 0 GHADMP COc1cc2c(cc1F)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000538570515 879735994 /nfs/dbraw/zinc/73/59/94/879735994.db2.gz WGVRPKXHBUHXKP-UHFFFAOYSA-N 2 1 397.538 3.923 20 0 GHADMP COc1cc2c(cc1F)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000538570515 879735999 /nfs/dbraw/zinc/73/59/99/879735999.db2.gz WGVRPKXHBUHXKP-UHFFFAOYSA-N 2 1 397.538 3.923 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4ccccc4OC3)CC2)cs1 ZINC000493968106 879785940 /nfs/dbraw/zinc/78/59/40/879785940.db2.gz JGLKDXZZQDRMKW-IBGZPJMESA-N 2 1 385.577 3.901 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC[C@H]21 ZINC000246832018 879819440 /nfs/dbraw/zinc/81/94/40/879819440.db2.gz KEUQFKDMSKZQNN-XZOQPEGZSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140148 879838130 /nfs/dbraw/zinc/83/81/30/879838130.db2.gz XSBVHFDJMGIHRX-FPVCRCAZSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001170140148 879838150 /nfs/dbraw/zinc/83/81/50/879838150.db2.gz XSBVHFDJMGIHRX-FPVCRCAZSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001170140148 879838167 /nfs/dbraw/zinc/83/81/67/879838167.db2.gz XSBVHFDJMGIHRX-FPVCRCAZSA-N 2 1 383.580 3.821 20 0 GHADMP Cc1nn(C)c2ncc(C[N@@H+](C)[C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921633 879852186 /nfs/dbraw/zinc/85/21/86/879852186.db2.gz DBAVXFVBAWJHEA-LAUBAEHRSA-N 2 1 377.536 3.762 20 0 GHADMP Cc1nn(C)c2ncc(C[N@H+](C)[C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921633 879852200 /nfs/dbraw/zinc/85/22/00/879852200.db2.gz DBAVXFVBAWJHEA-LAUBAEHRSA-N 2 1 377.536 3.762 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000246928824 879853475 /nfs/dbraw/zinc/85/34/75/879853475.db2.gz HBADJWBVMWXRBP-BXWFABGCSA-N 2 1 380.374 3.595 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000247076998 879909143 /nfs/dbraw/zinc/90/91/43/879909143.db2.gz VLCBNPNDMQCKAA-QZTJIDSGSA-N 2 1 378.605 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000247119364 879923499 /nfs/dbraw/zinc/92/34/99/879923499.db2.gz YSVGYLWBSPOIJM-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)c1ccccc1 ZINC000247419638 879994685 /nfs/dbraw/zinc/99/46/85/879994685.db2.gz DNNAQFBKCWWSAF-NHYNNZIHSA-N 2 1 391.559 3.991 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000247419638 879994700 /nfs/dbraw/zinc/99/47/00/879994700.db2.gz DNNAQFBKCWWSAF-NHYNNZIHSA-N 2 1 391.559 3.991 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000247419638 879994714 /nfs/dbraw/zinc/99/47/14/879994714.db2.gz DNNAQFBKCWWSAF-NHYNNZIHSA-N 2 1 391.559 3.991 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182851822 880029185 /nfs/dbraw/zinc/02/91/85/880029185.db2.gz WTQVMCSTHYHHSY-IYWMVGAKSA-N 2 1 390.616 3.592 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182851822 880029199 /nfs/dbraw/zinc/02/91/99/880029199.db2.gz WTQVMCSTHYHHSY-IYWMVGAKSA-N 2 1 390.616 3.592 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182851822 880029211 /nfs/dbraw/zinc/02/92/11/880029211.db2.gz WTQVMCSTHYHHSY-IYWMVGAKSA-N 2 1 390.616 3.592 20 0 GHADMP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000286030098 912543685 /nfs/dbraw/zinc/54/36/85/912543685.db2.gz KDEWYAKIGVHDBO-HZPDHXFCSA-N 2 1 388.533 3.606 20 0 GHADMP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000286030098 912543700 /nfs/dbraw/zinc/54/37/00/912543700.db2.gz KDEWYAKIGVHDBO-HZPDHXFCSA-N 2 1 388.533 3.606 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000531676895 880308193 /nfs/dbraw/zinc/30/81/93/880308193.db2.gz MKVSKNBCVMOSTI-CRAIPNDOSA-N 2 1 386.590 3.997 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453135219 880530779 /nfs/dbraw/zinc/53/07/79/880530779.db2.gz WFGOPHAWOFAYSG-ZLNRFVROSA-N 2 1 380.532 3.591 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453135219 880530785 /nfs/dbraw/zinc/53/07/85/880530785.db2.gz WFGOPHAWOFAYSG-ZLNRFVROSA-N 2 1 380.532 3.591 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453155504 880549307 /nfs/dbraw/zinc/54/93/07/880549307.db2.gz URNOECIEXBAMMB-QIJUGHKUSA-N 2 1 382.552 3.524 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453155504 880549320 /nfs/dbraw/zinc/54/93/20/880549320.db2.gz URNOECIEXBAMMB-QIJUGHKUSA-N 2 1 382.552 3.524 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000453224952 880646239 /nfs/dbraw/zinc/64/62/39/880646239.db2.gz CFUQCRWCYULMJK-FXAWDEMLSA-N 2 1 390.959 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000453224952 880646241 /nfs/dbraw/zinc/64/62/41/880646241.db2.gz CFUQCRWCYULMJK-FXAWDEMLSA-N 2 1 390.959 3.752 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000185841097 880708235 /nfs/dbraw/zinc/70/82/35/880708235.db2.gz UBRVIJICKFDPRR-DHIUTWEWSA-N 2 1 391.559 3.850 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c2cccs2)CC1 ZINC000531932470 880783675 /nfs/dbraw/zinc/78/36/75/880783675.db2.gz NFQOBHBDGXVUKO-MOPGFXCFSA-N 2 1 389.540 3.679 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000453378779 880862742 /nfs/dbraw/zinc/86/27/42/880862742.db2.gz ADWPZQUFXJDVLF-LILXYRQWSA-N 2 1 394.563 3.673 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453411676 880876128 /nfs/dbraw/zinc/87/61/28/880876128.db2.gz VYFCXSWWSWBJBQ-KRWDZBQOSA-N 2 1 378.582 3.928 20 0 GHADMP CCC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2Cl)CC1 ZINC000776870211 880918107 /nfs/dbraw/zinc/91/81/07/880918107.db2.gz JOOXVPYJLXVIBV-RTBURBONSA-N 2 1 376.976 3.911 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792279555 881010958 /nfs/dbraw/zinc/01/09/58/881010958.db2.gz CYZXPWRQAWSWAU-CTNGQTDRSA-N 2 1 394.563 3.581 20 0 GHADMP COc1ccc2nc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)sc2c1 ZINC000186928280 881026843 /nfs/dbraw/zinc/02/68/43/881026843.db2.gz PISKYVBUQJBMIG-IYBDPMFKSA-N 2 1 389.565 3.626 20 0 GHADMP COc1ccc2nc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)sc2c1 ZINC000186928280 881026859 /nfs/dbraw/zinc/02/68/59/881026859.db2.gz PISKYVBUQJBMIG-IYBDPMFKSA-N 2 1 389.565 3.626 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792327713 881049192 /nfs/dbraw/zinc/04/91/92/881049192.db2.gz UBWBLSYKNBVBST-UHFFFAOYSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000123183950 883157740 /nfs/dbraw/zinc/15/77/40/883157740.db2.gz GSUKAOMAWXIPPL-GCJKJVERSA-N 2 1 395.551 3.902 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000123242090 883262972 /nfs/dbraw/zinc/26/29/72/883262972.db2.gz KTBDJJWZUCBGSW-UHFFFAOYSA-N 2 1 387.597 3.706 20 0 GHADMP Cc1ccnc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000286328828 912694660 /nfs/dbraw/zinc/69/46/60/912694660.db2.gz XWMDLQXWUYEZOE-LJQANCHMSA-N 2 1 383.536 3.730 20 0 GHADMP COc1cccc([C@H]2CC(=O)N(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2)c1 ZINC000760528477 883442978 /nfs/dbraw/zinc/44/29/78/883442978.db2.gz FZCORIHIEBEAGC-QFIPXVFZSA-N 2 1 399.579 3.557 20 0 GHADMP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476983352 883500861 /nfs/dbraw/zinc/50/08/61/883500861.db2.gz KZBWDIALKRDAQI-RTBURBONSA-N 2 1 389.559 3.807 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000476988937 883522109 /nfs/dbraw/zinc/52/21/09/883522109.db2.gz WVQZRFSBZLTJEN-MRXNPFEDSA-N 2 1 398.016 3.994 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000476988937 883522117 /nfs/dbraw/zinc/52/21/17/883522117.db2.gz WVQZRFSBZLTJEN-MRXNPFEDSA-N 2 1 398.016 3.994 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000537698879 883630234 /nfs/dbraw/zinc/63/02/34/883630234.db2.gz ZYPAHOZEAWLPPQ-PWRODBHTSA-N 2 1 388.943 3.518 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000537698879 883630238 /nfs/dbraw/zinc/63/02/38/883630238.db2.gz ZYPAHOZEAWLPPQ-PWRODBHTSA-N 2 1 388.943 3.518 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(CN(C)C)c(F)c2)CC1 ZINC000136073124 883650119 /nfs/dbraw/zinc/65/01/19/883650119.db2.gz DDVKUIQEINKWAX-UHFFFAOYSA-N 2 1 398.570 3.709 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212204 883664477 /nfs/dbraw/zinc/66/44/77/883664477.db2.gz HQMCDEGNZYIZBJ-KRWDZBQOSA-N 2 1 391.519 3.597 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212204 883664481 /nfs/dbraw/zinc/66/44/81/883664481.db2.gz HQMCDEGNZYIZBJ-KRWDZBQOSA-N 2 1 391.519 3.597 20 0 GHADMP CC1(C)C[C@@H](O)CC[N@@H+](CC[Si](C)(C)CC[NH+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000859326423 883745531 /nfs/dbraw/zinc/74/55/31/883745531.db2.gz NQUWAIGZQAAACM-BGYRXZFFSA-N 2 1 398.708 3.661 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000859326423 883745542 /nfs/dbraw/zinc/74/55/42/883745542.db2.gz NQUWAIGZQAAACM-BGYRXZFFSA-N 2 1 398.708 3.661 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000859326423 883745560 /nfs/dbraw/zinc/74/55/60/883745560.db2.gz NQUWAIGZQAAACM-BGYRXZFFSA-N 2 1 398.708 3.661 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(F)cn1 ZINC000556232224 884177985 /nfs/dbraw/zinc/17/79/85/884177985.db2.gz IIAKXEFQBHEOCO-QUCCMNQESA-N 2 1 383.511 3.800 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(F)cn1 ZINC000556232224 884177990 /nfs/dbraw/zinc/17/79/90/884177990.db2.gz IIAKXEFQBHEOCO-QUCCMNQESA-N 2 1 383.511 3.800 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC001183749892 912796587 /nfs/dbraw/zinc/79/65/87/912796587.db2.gz QMJPFJAUUFKNTH-HSZRJFAPSA-N 2 1 395.522 3.523 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC001183749892 912796600 /nfs/dbraw/zinc/79/66/00/912796600.db2.gz QMJPFJAUUFKNTH-HSZRJFAPSA-N 2 1 395.522 3.523 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001183749892 912796614 /nfs/dbraw/zinc/79/66/14/912796614.db2.gz QMJPFJAUUFKNTH-HSZRJFAPSA-N 2 1 395.522 3.523 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001183749892 912796624 /nfs/dbraw/zinc/79/66/24/912796624.db2.gz QMJPFJAUUFKNTH-HSZRJFAPSA-N 2 1 395.522 3.523 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@H+](C)[C@H](Cc4ccccc4)C3)ccc21 ZINC000455860640 884229721 /nfs/dbraw/zinc/22/97/21/884229721.db2.gz QJINBGBGWGPFGO-FYYLOGMGSA-N 2 1 392.547 3.626 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)[C@H](Cc4ccccc4)C3)ccc21 ZINC000455860640 884229741 /nfs/dbraw/zinc/22/97/41/884229741.db2.gz QJINBGBGWGPFGO-FYYLOGMGSA-N 2 1 392.547 3.626 20 0 GHADMP C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465459696 884236075 /nfs/dbraw/zinc/23/60/75/884236075.db2.gz PYURVKVZXZXRBJ-REWPJTCUSA-N 2 1 394.563 3.595 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000105113063 884250493 /nfs/dbraw/zinc/25/04/93/884250493.db2.gz FHLKCVGIPVDFBU-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000105113063 884250509 /nfs/dbraw/zinc/25/05/09/884250509.db2.gz FHLKCVGIPVDFBU-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000105113063 884250526 /nfs/dbraw/zinc/25/05/26/884250526.db2.gz FHLKCVGIPVDFBU-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CN(CCC(F)(F)F)[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000556411181 884812449 /nfs/dbraw/zinc/81/24/49/884812449.db2.gz VVXKWENZLSCRAQ-KRWDZBQOSA-N 2 1 377.882 3.949 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000460347401 884927472 /nfs/dbraw/zinc/92/74/72/884927472.db2.gz JIDUISHJQVOMNJ-RTBURBONSA-N 2 1 395.547 3.770 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3C[NH+](C)C)cc2)C1 ZINC000498582400 884928969 /nfs/dbraw/zinc/92/89/69/884928969.db2.gz FMKVWTRZWYQMTL-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598467 884990905 /nfs/dbraw/zinc/99/09/05/884990905.db2.gz RPGWJFASBIOKGP-NHCUHLMSSA-N 2 1 381.520 3.587 20 0 GHADMP O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598470 884991139 /nfs/dbraw/zinc/99/11/39/884991139.db2.gz RPGWJFASBIOKGP-SFTDATJTSA-N 2 1 381.520 3.587 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766286 885308171 /nfs/dbraw/zinc/30/81/71/885308171.db2.gz CNNWFTZTLSXEGS-FGZHOGPDSA-N 2 1 394.003 3.956 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000130968773 885388549 /nfs/dbraw/zinc/38/85/49/885388549.db2.gz FYPWFFQRYNSZOA-HSZRJFAPSA-N 2 1 390.531 3.614 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000130968773 885388572 /nfs/dbraw/zinc/38/85/72/885388572.db2.gz FYPWFFQRYNSZOA-HSZRJFAPSA-N 2 1 390.531 3.614 20 0 GHADMP CCOC(=O)C1=C(Nc2ccc(C3([NH3+])CC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522930 885397712 /nfs/dbraw/zinc/39/77/12/885397712.db2.gz UWXGKBYSIGFVQY-UHFFFAOYSA-N 2 1 391.515 3.769 20 0 GHADMP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000130985933 885402769 /nfs/dbraw/zinc/40/27/69/885402769.db2.gz ZHPMIWGTZJNGHC-XXBNENTESA-N 2 1 383.584 3.908 20 0 GHADMP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000130985933 885402780 /nfs/dbraw/zinc/40/27/80/885402780.db2.gz ZHPMIWGTZJNGHC-XXBNENTESA-N 2 1 383.584 3.908 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000302985848 885411859 /nfs/dbraw/zinc/41/18/59/885411859.db2.gz QUOCYUCICCSRGQ-QHAWAJNXSA-N 2 1 385.596 3.901 20 0 GHADMP [NH3+]C1CC[NH+](CCc2cn(-c3cc4[nH]cnc4cc3F)c3ccccc23)CC1 ZINC001170529173 885604579 /nfs/dbraw/zinc/60/45/79/885604579.db2.gz XXTYNQUKCCCOLE-UHFFFAOYSA-N 2 1 377.467 3.612 20 0 GHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550640755 885674001 /nfs/dbraw/zinc/67/40/01/885674001.db2.gz CFPCHWWWMMHLBZ-ISKFKSNPSA-N 3 1 381.564 3.595 20 0 GHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550640755 885674017 /nfs/dbraw/zinc/67/40/17/885674017.db2.gz CFPCHWWWMMHLBZ-ISKFKSNPSA-N 3 1 381.564 3.595 20 0 GHADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434258 885759625 /nfs/dbraw/zinc/75/96/25/885759625.db2.gz REPCATNYKHTWEN-URVUXULASA-N 2 1 379.548 3.928 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000532501481 885834056 /nfs/dbraw/zinc/83/40/56/885834056.db2.gz INUPNKSJMPGYRN-UHFFFAOYSA-N 2 1 384.364 3.925 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CN2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000808160004 886066209 /nfs/dbraw/zinc/06/62/09/886066209.db2.gz LOBFVHMUOKOEQW-UHFFFAOYSA-N 2 1 378.948 3.593 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498941492 886156465 /nfs/dbraw/zinc/15/64/65/886156465.db2.gz KCMDIRFGEZMIEK-NFBKMPQASA-N 2 1 379.504 3.744 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152469 913033300 /nfs/dbraw/zinc/03/33/00/913033300.db2.gz MPJQCYZERFVBKN-SGNDLWITSA-N 2 1 391.559 3.850 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152469 913033310 /nfs/dbraw/zinc/03/33/10/913033310.db2.gz MPJQCYZERFVBKN-SGNDLWITSA-N 2 1 391.559 3.850 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC001184152469 913033322 /nfs/dbraw/zinc/03/33/22/913033322.db2.gz MPJQCYZERFVBKN-SGNDLWITSA-N 2 1 391.559 3.850 20 0 GHADMP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)N2CCOCC2)o1 ZINC000118954782 886362157 /nfs/dbraw/zinc/36/21/57/886362157.db2.gz UFCVDVLJXDVZNA-XMSQKQJNSA-N 2 1 394.519 3.806 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000648790404 886372610 /nfs/dbraw/zinc/37/26/10/886372610.db2.gz LFVYARHHAABJFU-SFHVURJKSA-N 2 1 384.524 3.818 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1-n1ccnn1 ZINC000556871560 886427079 /nfs/dbraw/zinc/42/70/79/886427079.db2.gz UNMIGSCWWONODV-QZTJIDSGSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1-n1ccnn1 ZINC000556871560 886427089 /nfs/dbraw/zinc/42/70/89/886427089.db2.gz UNMIGSCWWONODV-QZTJIDSGSA-N 2 1 381.549 3.892 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000495686238 886436552 /nfs/dbraw/zinc/43/65/52/886436552.db2.gz UPOJWSNWPMRNKL-XMMPIXPASA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000171689691 886778050 /nfs/dbraw/zinc/77/80/50/886778050.db2.gz DVKYMZNJRQKPDZ-UHFFFAOYSA-N 2 1 379.548 3.745 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000125178124 886835892 /nfs/dbraw/zinc/83/58/92/886835892.db2.gz HAEHQKXRCTWRHO-MSOLQXFVSA-N 2 1 376.508 3.539 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000236864586 886892184 /nfs/dbraw/zinc/89/21/84/886892184.db2.gz XNBSEHZZPMSHCP-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000236864586 886892197 /nfs/dbraw/zinc/89/21/97/886892197.db2.gz XNBSEHZZPMSHCP-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCC[NH2+]1 ZINC000237541308 886961601 /nfs/dbraw/zinc/96/16/01/886961601.db2.gz BXNHOXMZJGKFGU-LJQANCHMSA-N 2 1 384.351 3.606 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[N@@H+]5CCCC[C@@H]45)cc3)nc12 ZINC000237895315 887004122 /nfs/dbraw/zinc/00/41/22/887004122.db2.gz GIEFYGXFPSDJGO-GOTSBHOMSA-N 2 1 390.531 3.938 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[N@H+]5CCCC[C@@H]45)cc3)nc12 ZINC000237895315 887004131 /nfs/dbraw/zinc/00/41/31/887004131.db2.gz GIEFYGXFPSDJGO-GOTSBHOMSA-N 2 1 390.531 3.938 20 0 GHADMP [NH3+][C@@H](CCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000237931614 887006438 /nfs/dbraw/zinc/00/64/38/887006438.db2.gz TUKJGIMIASOBPF-NRFANRHFSA-N 2 1 387.474 3.526 20 0 GHADMP C[NH2+]C[C@@H](C)c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC000863656795 887266134 /nfs/dbraw/zinc/26/61/34/887266134.db2.gz OTFFZFXWQRMRCD-KBAYOESNSA-N 2 1 382.533 3.837 20 0 GHADMP CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000863665430 887273045 /nfs/dbraw/zinc/27/30/45/887273045.db2.gz IGBLGFVLWXZYLL-QGZVFWFLSA-N 2 1 391.947 3.968 20 0 GHADMP CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000863665430 887273063 /nfs/dbraw/zinc/27/30/63/887273063.db2.gz IGBLGFVLWXZYLL-QGZVFWFLSA-N 2 1 391.947 3.968 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC000130025208 887383720 /nfs/dbraw/zinc/38/37/20/887383720.db2.gz TVHSBHHSJRQEKO-WWMYMODYSA-N 2 1 383.540 3.613 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC000130025208 887383733 /nfs/dbraw/zinc/38/37/33/887383733.db2.gz TVHSBHHSJRQEKO-WWMYMODYSA-N 2 1 383.540 3.613 20 0 GHADMP C[NH+]1CCN(c2ccc(NCCc3ccc(F)cc3F)c3c[nH+]ccc32)CC1 ZINC001184364439 913154738 /nfs/dbraw/zinc/15/47/38/913154738.db2.gz SOAPYCFXHMWCBP-UHFFFAOYSA-N 2 1 382.458 3.919 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NCCCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000454248728 887596705 /nfs/dbraw/zinc/59/67/05/887596705.db2.gz SDFFUXOLFGDGJD-UHFFFAOYSA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000119962148 887682631 /nfs/dbraw/zinc/68/26/31/887682631.db2.gz WKZVKIFWEVBSLX-AEFFLSMTSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+](C)[C@@H](CNc1c[nH+]ccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC001170587033 887827972 /nfs/dbraw/zinc/82/79/72/887827972.db2.gz AFTHBJFCBPIDGW-IBGZPJMESA-N 2 1 395.334 3.940 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000809973167 888031158 /nfs/dbraw/zinc/03/11/58/888031158.db2.gz JPHIGEAJIDITMO-QFIPXVFZSA-N 2 1 375.532 3.501 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865416043 888333172 /nfs/dbraw/zinc/33/31/72/888333172.db2.gz SGNCMZLFUVMCOJ-MRXNPFEDSA-N 2 1 377.533 3.568 20 0 GHADMP C[C@H]([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524847 888408629 /nfs/dbraw/zinc/40/86/29/888408629.db2.gz OMTKIFSZKBJQCN-HRCADAONSA-N 2 1 389.531 3.778 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C3(CCC3)C2)CC1 ZINC001168509249 888870968 /nfs/dbraw/zinc/87/09/68/888870968.db2.gz JUHRNDULADSCGU-NRFANRHFSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C3(CCC3)C2)CC1 ZINC001168509249 888870980 /nfs/dbraw/zinc/87/09/80/888870980.db2.gz JUHRNDULADSCGU-NRFANRHFSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C3(CCC3)C2)CC1 ZINC001168509249 888870986 /nfs/dbraw/zinc/87/09/86/888870986.db2.gz JUHRNDULADSCGU-NRFANRHFSA-N 2 1 383.580 3.541 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000532793796 889001691 /nfs/dbraw/zinc/00/16/91/889001691.db2.gz OBUQURKOBPCNMS-YLJYHZDGSA-N 2 1 392.975 3.508 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000644526915 913340880 /nfs/dbraw/zinc/34/08/80/913340880.db2.gz HYKJFXYZZVPIPX-LADGPHEKSA-N 2 1 382.548 3.683 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000459385730 889480330 /nfs/dbraw/zinc/48/03/30/889480330.db2.gz AEESKJWTNXBRCG-UHFFFAOYSA-N 2 1 378.944 3.613 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(Br)c1 ZINC000124345358 889599974 /nfs/dbraw/zinc/59/99/74/889599974.db2.gz FTUYMAYCWHRNPL-CQSZACIVSA-N 2 1 386.353 3.512 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000533078014 889699741 /nfs/dbraw/zinc/69/97/41/889699741.db2.gz UBUGNHPSNFBVCL-UHFFFAOYSA-N 2 1 386.971 3.879 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000869007984 889714065 /nfs/dbraw/zinc/71/40/65/889714065.db2.gz LGTATQWLPAIPDS-BNYILAJESA-N 2 1 392.613 3.693 20 0 GHADMP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1C ZINC000125000525 889841685 /nfs/dbraw/zinc/84/16/85/889841685.db2.gz JOJMZEKZNJTYEW-HXUWFJFHSA-N 2 1 395.547 3.815 20 0 GHADMP C[C@@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000454927645 890004120 /nfs/dbraw/zinc/00/41/20/890004120.db2.gz OWTIYMOSJLCPDZ-SIOWJKJVSA-N 2 1 392.975 3.503 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCOC2=O)cc1 ZINC000122764008 890071830 /nfs/dbraw/zinc/07/18/30/890071830.db2.gz WBHIXWLIHDSKRP-GOSISDBHSA-N 2 1 379.504 3.742 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCOC2=O)cc1 ZINC000122764008 890071838 /nfs/dbraw/zinc/07/18/38/890071838.db2.gz WBHIXWLIHDSKRP-GOSISDBHSA-N 2 1 379.504 3.742 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890304 890566471 /nfs/dbraw/zinc/56/64/71/890566471.db2.gz LFBMNKCMZSGSCS-PBWTXFEYSA-N 2 1 397.485 3.722 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000455236240 890571759 /nfs/dbraw/zinc/57/17/59/890571759.db2.gz YDKKTPQQKRXLSC-FQEVSTJZSA-N 2 1 394.563 3.777 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870912423 890574929 /nfs/dbraw/zinc/57/49/29/890574929.db2.gz HNFKEIVGQZVCSM-UAFONNFLSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870912423 890574935 /nfs/dbraw/zinc/57/49/35/890574935.db2.gz HNFKEIVGQZVCSM-UAFONNFLSA-N 2 1 381.923 3.637 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(CC)(CC)C(F)(F)F)CC2)CC1 ZINC000871264595 890716630 /nfs/dbraw/zinc/71/66/30/890716630.db2.gz SHRQGTCFYHAMRT-UHFFFAOYSA-N 2 1 391.522 3.668 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000237353627 890832792 /nfs/dbraw/zinc/83/27/92/890832792.db2.gz PAFIIFPITWNCGT-NSHDSACASA-N 2 1 388.256 3.981 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127454047 891069901 /nfs/dbraw/zinc/06/99/01/891069901.db2.gz NZRSSECYZNYIIX-QFIPXVFZSA-N 2 1 376.504 3.629 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000127454047 891069913 /nfs/dbraw/zinc/06/99/13/891069913.db2.gz NZRSSECYZNYIIX-QFIPXVFZSA-N 2 1 376.504 3.629 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246362841 891071915 /nfs/dbraw/zinc/07/19/15/891071915.db2.gz PVVVWLCDFLJLEG-YLJYHZDGSA-N 2 1 392.613 3.647 20 0 GHADMP FC(F)(F)c1cccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000459387044 891208662 /nfs/dbraw/zinc/20/86/62/891208662.db2.gz IVYKGVXLLDNDFB-UHFFFAOYSA-N 2 1 381.486 3.886 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000246468360 891266600 /nfs/dbraw/zinc/26/66/00/891266600.db2.gz PVJGXXKREALWKG-XKYYZAJSSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000246468360 891266616 /nfs/dbraw/zinc/26/66/16/891266616.db2.gz PVJGXXKREALWKG-XKYYZAJSSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000246468360 891266633 /nfs/dbraw/zinc/26/66/33/891266633.db2.gz PVJGXXKREALWKG-XKYYZAJSSA-N 2 1 398.595 3.554 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000128217070 891486259 /nfs/dbraw/zinc/48/62/59/891486259.db2.gz IWAFCGKTIKTKFF-SFHVURJKSA-N 2 1 387.503 3.645 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000128217070 891486265 /nfs/dbraw/zinc/48/62/65/891486265.db2.gz IWAFCGKTIKTKFF-SFHVURJKSA-N 2 1 387.503 3.645 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC1)C2 ZINC001168270670 891662235 /nfs/dbraw/zinc/66/22/35/891662235.db2.gz CXLKTDHIZFGVDJ-LEWJYISDSA-N 2 1 396.531 3.511 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497507270 891758750 /nfs/dbraw/zinc/75/87/50/891758750.db2.gz VBLFWFHIMKPQEF-BJLQDIEVSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497507270 891758756 /nfs/dbraw/zinc/75/87/56/891758756.db2.gz VBLFWFHIMKPQEF-BJLQDIEVSA-N 2 1 381.923 3.509 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@H](OC)CC2)cc(C[N@@H+]2CCC[C@@H](OC)CC2)c1 ZINC000645000344 913598100 /nfs/dbraw/zinc/59/81/00/913598100.db2.gz REGJFWPYHVUZRZ-FGZHOGPDSA-N 2 1 390.568 3.697 20 0 GHADMP FC(F)CN1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000813789926 891978899 /nfs/dbraw/zinc/97/88/99/891978899.db2.gz FUIVOPFIMAMQCL-SEJPIABJSA-N 2 1 377.523 3.891 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261775019 892108057 /nfs/dbraw/zinc/10/80/57/892108057.db2.gz GYYJXXFUQYIQGS-ZBFHGGJFSA-N 2 1 391.968 3.635 20 0 GHADMP O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000261781006 892111457 /nfs/dbraw/zinc/11/14/57/892111457.db2.gz PMBCINXHGWJJEI-UHFFFAOYSA-N 2 1 382.483 3.827 20 0 GHADMP C[NH2+]CCC1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000261967936 892180624 /nfs/dbraw/zinc/18/06/24/892180624.db2.gz BARUZCFHTLATKM-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP O=C1[C@@H]2CCCCC[C@H]2N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223349 892415633 /nfs/dbraw/zinc/41/56/33/892415633.db2.gz GTLWCKYTRLMYSU-FGZHOGPDSA-N 2 1 381.564 3.723 20 0 GHADMP Cc1ccc2oc(=O)n(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c2c1 ZINC000814223765 892416319 /nfs/dbraw/zinc/41/63/19/892416319.db2.gz OXYXJDQZRIHVHG-UHFFFAOYSA-N 2 1 391.515 3.849 20 0 GHADMP Cc1ccc2oc(=O)n(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c2c1 ZINC000814223765 892416326 /nfs/dbraw/zinc/41/63/26/892416326.db2.gz OXYXJDQZRIHVHG-UHFFFAOYSA-N 2 1 391.515 3.849 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(F)cc1 ZINC000162511573 892630141 /nfs/dbraw/zinc/63/01/41/892630141.db2.gz YCPGOEVUJZKMBZ-MRXNPFEDSA-N 2 1 397.498 3.506 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000508695747 892657977 /nfs/dbraw/zinc/65/79/77/892657977.db2.gz IQOAQPHOTNECQO-NNWRFLSQSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712512 892829737 /nfs/dbraw/zinc/82/97/37/892829737.db2.gz CTJOGHTUHNRILL-CTNGQTDRSA-N 2 1 397.538 3.663 20 0 GHADMP C[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722370 892977083 /nfs/dbraw/zinc/97/70/83/892977083.db2.gz XLPYRLIEADOOSZ-FUHWJXTLSA-N 2 1 393.453 3.979 20 0 GHADMP C[C@@H](NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722724 892987044 /nfs/dbraw/zinc/98/70/44/892987044.db2.gz UGMPFGNGSORXQB-HYBUGGRVSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722724 892987053 /nfs/dbraw/zinc/98/70/53/892987053.db2.gz UGMPFGNGSORXQB-HYBUGGRVSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722724 892987056 /nfs/dbraw/zinc/98/70/56/892987056.db2.gz UGMPFGNGSORXQB-HYBUGGRVSA-N 2 1 377.576 3.586 20 0 GHADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000877008368 893431742 /nfs/dbraw/zinc/43/17/42/893431742.db2.gz JXHNZRIDNSWNIG-QWXGXRTQSA-N 2 1 385.489 3.816 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000536708492 893610655 /nfs/dbraw/zinc/61/06/55/893610655.db2.gz FJOUTBKMQNXYEE-SFHVURJKSA-N 2 1 385.531 3.883 20 0 GHADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)CC2)c1 ZINC000536730538 893637587 /nfs/dbraw/zinc/63/75/87/893637587.db2.gz PQLCPGZQWWJOND-OFNKIYASSA-N 2 1 384.564 3.941 20 0 GHADMP COCc1cccc(OCC2(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)CC2)c1 ZINC000536730538 893637595 /nfs/dbraw/zinc/63/75/95/893637595.db2.gz PQLCPGZQWWJOND-OFNKIYASSA-N 2 1 384.564 3.941 20 0 GHADMP COCc1cccc(OCC2(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)CC2)c1 ZINC000536730538 893637604 /nfs/dbraw/zinc/63/76/04/893637604.db2.gz PQLCPGZQWWJOND-OFNKIYASSA-N 2 1 384.564 3.941 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc(C)ccc2OC)CC1)CC1CC1 ZINC000536737479 893699952 /nfs/dbraw/zinc/69/99/52/893699952.db2.gz HVCBZJYUIZUMKG-UHFFFAOYSA-N 2 1 387.568 3.776 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(C)ccc2OC)CC1)CC1CC1 ZINC000536737479 893699959 /nfs/dbraw/zinc/69/99/59/893699959.db2.gz HVCBZJYUIZUMKG-UHFFFAOYSA-N 2 1 387.568 3.776 20 0 GHADMP C[NH+](C)Cc1ccc(NC2CCN(c3cc[nH+]cc3)CC2)cc1Br ZINC000459510424 893702921 /nfs/dbraw/zinc/70/29/21/893702921.db2.gz OMGWRUKGQSLFST-UHFFFAOYSA-N 2 1 389.341 3.987 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000556092906 893703970 /nfs/dbraw/zinc/70/39/70/893703970.db2.gz GBIZAOPOAAXGCP-BJKOFHAPSA-N 2 1 391.559 3.964 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000556092906 893703980 /nfs/dbraw/zinc/70/39/80/893703980.db2.gz GBIZAOPOAAXGCP-BJKOFHAPSA-N 2 1 391.559 3.964 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001137123277 893740383 /nfs/dbraw/zinc/74/03/83/893740383.db2.gz JCTCCSFGKYJJQF-CTNGQTDRSA-N 2 1 385.939 3.581 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000536829073 893861893 /nfs/dbraw/zinc/86/18/93/893861893.db2.gz VPZYWEWBUDDXJC-KUHUBIRLSA-N 2 1 377.326 3.911 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000498291482 893935423 /nfs/dbraw/zinc/93/54/23/893935423.db2.gz HBCFWVYRSOGRPS-VXKWHMMOSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000498291482 893935435 /nfs/dbraw/zinc/93/54/35/893935435.db2.gz HBCFWVYRSOGRPS-VXKWHMMOSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000498291482 893935443 /nfs/dbraw/zinc/93/54/43/893935443.db2.gz HBCFWVYRSOGRPS-VXKWHMMOSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(Cc3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000536832112 893944260 /nfs/dbraw/zinc/94/42/60/893944260.db2.gz JQGDTCUTMOERDE-GGAORHGYSA-N 2 1 392.591 3.936 20 0 GHADMP CCOC(=O)[C@H](CC(C)(C)F)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001170790363 893948488 /nfs/dbraw/zinc/94/84/88/893948488.db2.gz AMAVEDFDFWUSGG-AEFFLSMTSA-N 2 1 390.503 3.833 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000563621664 893983200 /nfs/dbraw/zinc/98/32/00/893983200.db2.gz AUSLGEUKYXIDIV-QIJZPMMNSA-N 2 1 379.548 3.727 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000563621640 893983510 /nfs/dbraw/zinc/98/35/10/893983510.db2.gz AUSLGEUKYXIDIV-FMWKFLBASA-N 2 1 379.548 3.727 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000563636106 893999004 /nfs/dbraw/zinc/99/90/04/893999004.db2.gz KSVHBQKQEYVQGX-KNQAVFIVSA-N 2 1 399.966 3.624 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000563636106 893999017 /nfs/dbraw/zinc/99/90/17/893999017.db2.gz KSVHBQKQEYVQGX-KNQAVFIVSA-N 2 1 399.966 3.624 20 0 GHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000815578371 894015891 /nfs/dbraw/zinc/01/58/91/894015891.db2.gz NCAKFSQXAVWJSS-FXAWDEMLSA-N 2 1 383.511 3.682 20 0 GHADMP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563913327 894319573 /nfs/dbraw/zinc/31/95/73/894319573.db2.gz JNCSQYJNWRRHTJ-UXHICEINSA-N 2 1 386.584 3.826 20 0 GHADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563913327 894319584 /nfs/dbraw/zinc/31/95/84/894319584.db2.gz JNCSQYJNWRRHTJ-UXHICEINSA-N 2 1 386.584 3.826 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)[NH+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093476 894331038 /nfs/dbraw/zinc/33/10/38/894331038.db2.gz ORMUWVLYXXFESO-BBMMYNIISA-N 3 1 387.612 3.514 20 0 GHADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093476 894331056 /nfs/dbraw/zinc/33/10/56/894331056.db2.gz ORMUWVLYXXFESO-BBMMYNIISA-N 3 1 387.612 3.514 20 0 GHADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093476 894331074 /nfs/dbraw/zinc/33/10/74/894331074.db2.gz ORMUWVLYXXFESO-BBMMYNIISA-N 3 1 387.612 3.514 20 0 GHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093476 894331095 /nfs/dbraw/zinc/33/10/95/894331095.db2.gz ORMUWVLYXXFESO-BBMMYNIISA-N 2 1 387.612 3.514 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093476 894331111 /nfs/dbraw/zinc/33/11/11/894331111.db2.gz ORMUWVLYXXFESO-BBMMYNIISA-N 2 1 387.612 3.514 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573564 894397672 /nfs/dbraw/zinc/39/76/72/894397672.db2.gz LIZBFRYGWGBUDR-RTBURBONSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573564 894397687 /nfs/dbraw/zinc/39/76/87/894397687.db2.gz LIZBFRYGWGBUDR-RTBURBONSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573564 894397700 /nfs/dbraw/zinc/39/77/00/894397700.db2.gz LIZBFRYGWGBUDR-RTBURBONSA-N 2 1 378.582 3.538 20 0 GHADMP CCC[C@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000537255555 894669405 /nfs/dbraw/zinc/66/94/05/894669405.db2.gz WGOYFSIZHPQOCP-QFIPXVFZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460117124 894747200 /nfs/dbraw/zinc/74/72/00/894747200.db2.gz ZPZLBRTYHFDKJB-XVAYZXCPSA-N 2 1 385.596 3.771 20 0 GHADMP c1cnc([C@@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@H]2c2ncccn2)nc1 ZINC000878976759 894761223 /nfs/dbraw/zinc/76/12/23/894761223.db2.gz WBOMHRAQTDMVFA-PMACEKPBSA-N 2 1 380.540 3.801 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000537325746 894778087 /nfs/dbraw/zinc/77/80/87/894778087.db2.gz OMJMMNYEAKEIRA-CVDCTZTESA-N 2 1 393.579 3.544 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000564318631 894857351 /nfs/dbraw/zinc/85/73/51/894857351.db2.gz AYNSWPXEMABSQY-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000816535916 894906094 /nfs/dbraw/zinc/90/60/94/894906094.db2.gz FUKLTJIEYNTVIS-GOSISDBHSA-N 2 1 387.568 3.804 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCc4cccnc43)C3(C2)CCOCC3)cc1 ZINC000645490696 913932856 /nfs/dbraw/zinc/93/28/56/913932856.db2.gz MFAVYILPYUTSKQ-GOTSBHOMSA-N 2 1 391.559 3.977 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1-n1ccnn1 ZINC000565353983 895559056 /nfs/dbraw/zinc/55/90/56/895559056.db2.gz MNRIXIAYTNJARH-XQBPLPMBSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1-n1ccnn1 ZINC000565353983 895559073 /nfs/dbraw/zinc/55/90/73/895559073.db2.gz MNRIXIAYTNJARH-XQBPLPMBSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000565473827 895659742 /nfs/dbraw/zinc/65/97/42/895659742.db2.gz JMOYCMGZYMKPNT-FEFURNDJSA-N 2 1 394.506 3.568 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000565473827 895659751 /nfs/dbraw/zinc/65/97/51/895659751.db2.gz JMOYCMGZYMKPNT-FEFURNDJSA-N 2 1 394.506 3.568 20 0 GHADMP C[C@@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000565509312 895686543 /nfs/dbraw/zinc/68/65/43/895686543.db2.gz WFOOHLIIUXLURD-GBESFXJTSA-N 2 1 378.532 3.519 20 0 GHADMP C[C@@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000565509312 895686548 /nfs/dbraw/zinc/68/65/48/895686548.db2.gz WFOOHLIIUXLURD-GBESFXJTSA-N 2 1 378.532 3.519 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@H]3C)CC2)CC1 ZINC000565548534 895715840 /nfs/dbraw/zinc/71/58/40/895715840.db2.gz JBDXIUHWNUMGIR-NFBKMPQASA-N 2 1 397.607 3.896 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001136012969 895909064 /nfs/dbraw/zinc/90/90/64/895909064.db2.gz AHAVTHHRQWPRJC-OAQYLSRUSA-N 2 1 385.939 3.855 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566244101 896196505 /nfs/dbraw/zinc/19/65/05/896196505.db2.gz BAJVIPXXOUFVQL-REJLFOLJSA-N 2 1 389.849 3.745 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000566244101 896196514 /nfs/dbraw/zinc/19/65/14/896196514.db2.gz BAJVIPXXOUFVQL-REJLFOLJSA-N 2 1 389.849 3.745 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000566470200 896330263 /nfs/dbraw/zinc/33/02/63/896330263.db2.gz OZFPLEVGSJRNTO-VWNXMTODSA-N 2 1 397.607 3.883 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000881626646 896400023 /nfs/dbraw/zinc/40/00/23/896400023.db2.gz PSEOEPGFXFGDDW-UHFFFAOYSA-N 2 1 398.595 3.864 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819128595 896429190 /nfs/dbraw/zinc/42/91/90/896429190.db2.gz OMGBSGBLVFXJOX-GOSISDBHSA-N 2 1 375.340 3.506 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282967 896525683 /nfs/dbraw/zinc/52/56/83/896525683.db2.gz DWHDGZPVYVAZBX-UPVQGACJSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282964 896525887 /nfs/dbraw/zinc/52/58/87/896525887.db2.gz DWHDGZPVYVAZBX-ISKFKSNPSA-N 2 1 382.548 3.545 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)c3ccc(F)cc3F)cc2)CC1 ZINC000819443613 896676422 /nfs/dbraw/zinc/67/64/22/896676422.db2.gz ADSLBQGXHRTAPJ-JOCHJYFZSA-N 2 1 389.490 3.888 20 0 GHADMP Cc1cccc(OC[C@@H](O)CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000819445760 896680891 /nfs/dbraw/zinc/68/08/91/896680891.db2.gz VEOGQMILWGEWPW-QHCPKHFHSA-N 2 1 397.563 3.625 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000566913430 896690696 /nfs/dbraw/zinc/69/06/96/896690696.db2.gz WUOWGVIJQXBSTC-FYYLOGMGSA-N 2 1 379.548 3.837 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)CC1 ZINC000566978345 896762207 /nfs/dbraw/zinc/76/22/07/896762207.db2.gz HOARSKDUUPEQLQ-FDDCHVKYSA-N 2 1 385.527 3.569 20 0 GHADMP Cn1nc2c(c1CNC[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CSCC2 ZINC000883180306 897344073 /nfs/dbraw/zinc/34/40/73/897344073.db2.gz ZPXOIERQPUSHPI-IBGZPJMESA-N 2 1 396.604 3.601 20 0 GHADMP Cn1nc2c(c1C[NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CSCC2 ZINC000883180306 897344087 /nfs/dbraw/zinc/34/40/87/897344087.db2.gz ZPXOIERQPUSHPI-IBGZPJMESA-N 2 1 396.604 3.601 20 0 GHADMP Cn1nc2c(c1C[NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CSCC2 ZINC000883180306 897344098 /nfs/dbraw/zinc/34/40/98/897344098.db2.gz ZPXOIERQPUSHPI-IBGZPJMESA-N 2 1 396.604 3.601 20 0 GHADMP C[N@H+]1CC[C@H](Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000568064109 897566273 /nfs/dbraw/zinc/56/62/73/897566273.db2.gz NFEDQAXEYPFSCY-FKBYEOEOSA-N 2 1 384.568 3.786 20 0 GHADMP C[N@H+]1CC[C@H](Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000568064108 897566869 /nfs/dbraw/zinc/56/68/69/897566869.db2.gz NFEDQAXEYPFSCY-FDFHNCONSA-N 2 1 384.568 3.786 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000568144254 897632484 /nfs/dbraw/zinc/63/24/84/897632484.db2.gz ANNCHUKYTWZOHX-UYAOXDASSA-N 2 1 393.531 3.970 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC001136456016 897905690 /nfs/dbraw/zinc/90/56/90/897905690.db2.gz UKUWGZMWKVIWLA-YADHBBJMSA-N 2 1 397.563 3.733 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001170967752 897933831 /nfs/dbraw/zinc/93/38/31/897933831.db2.gz ANTXFYNTXFSXIN-NRFANRHFSA-N 2 1 382.523 3.988 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4CCn5cc[nH+]c5C4)n3)cc2)CC1 ZINC000569035934 898291054 /nfs/dbraw/zinc/29/10/54/898291054.db2.gz QOVJAFUTIUJTLH-LJQANCHMSA-N 2 1 377.492 3.895 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000569039138 898292281 /nfs/dbraw/zinc/29/22/81/898292281.db2.gz PDPBFKYWKIFRFH-MFSJNOQSSA-N 2 1 398.522 3.757 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000155206005 898416319 /nfs/dbraw/zinc/41/63/19/898416319.db2.gz DTYKXJGLZRRJQC-XXBNENTESA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000155206005 898416332 /nfs/dbraw/zinc/41/63/32/898416332.db2.gz DTYKXJGLZRRJQC-XXBNENTESA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155206005 898416342 /nfs/dbraw/zinc/41/63/42/898416342.db2.gz DTYKXJGLZRRJQC-XXBNENTESA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155206005 898416354 /nfs/dbraw/zinc/41/63/54/898416354.db2.gz DTYKXJGLZRRJQC-XXBNENTESA-N 2 1 380.532 3.887 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111508457 898808080 /nfs/dbraw/zinc/80/80/80/898808080.db2.gz KNELPAKGAXQETI-FRIKZZABSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(N3CCOC3=O)c2)CC1 ZINC000823697442 899193161 /nfs/dbraw/zinc/19/31/61/899193161.db2.gz JZWWSPVKTSMSEB-IBGZPJMESA-N 2 1 393.531 3.828 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000824058425 899364777 /nfs/dbraw/zinc/36/47/77/899364777.db2.gz MSSFDOVHYZFZFU-NHCUHLMSSA-N 2 1 376.585 3.740 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000570676399 899498816 /nfs/dbraw/zinc/49/88/16/899498816.db2.gz ODQCBVIWJAATKH-GRYUFTJMSA-N 2 1 394.559 3.702 20 0 GHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000156194018 899515153 /nfs/dbraw/zinc/51/51/53/899515153.db2.gz NAJZITIFYWIAGA-IAGOWNOFSA-N 2 1 388.943 3.952 20 0 GHADMP CCC[C@@]1(CO)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@](CO)(CCC)C3)c2)C1 ZINC000571083633 899735573 /nfs/dbraw/zinc/73/55/73/899735573.db2.gz GHRMRQNWBUPHQK-DNQXCXABSA-N 2 1 388.596 3.656 20 0 GHADMP FC(F)(F)c1c[nH]c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001137022183 900101593 /nfs/dbraw/zinc/10/15/93/900101593.db2.gz VBSGWJVFBYSPCB-SJORKVTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001137022183 900101600 /nfs/dbraw/zinc/10/16/00/900101600.db2.gz VBSGWJVFBYSPCB-SJORKVTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001137022183 900101604 /nfs/dbraw/zinc/10/16/04/900101604.db2.gz VBSGWJVFBYSPCB-SJORKVTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001137022183 900101612 /nfs/dbraw/zinc/10/16/12/900101612.db2.gz VBSGWJVFBYSPCB-SJORKVTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001137022182 900101822 /nfs/dbraw/zinc/10/18/22/900101822.db2.gz VBSGWJVFBYSPCB-IRXDYDNUSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001137022182 900101826 /nfs/dbraw/zinc/10/18/26/900101826.db2.gz VBSGWJVFBYSPCB-IRXDYDNUSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001137022182 900101828 /nfs/dbraw/zinc/10/18/28/900101828.db2.gz VBSGWJVFBYSPCB-IRXDYDNUSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001137022182 900101835 /nfs/dbraw/zinc/10/18/35/900101835.db2.gz VBSGWJVFBYSPCB-IRXDYDNUSA-N 2 1 378.442 3.773 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024048 900112067 /nfs/dbraw/zinc/11/20/67/900112067.db2.gz ONVZXZLIDLUFKV-DEOSSOPVSA-N 2 1 392.543 3.972 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001137025466 900122478 /nfs/dbraw/zinc/12/24/78/900122478.db2.gz GRWKNNASKSKIBF-WUMKDDEVSA-N 2 1 377.532 3.844 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001137025466 900122483 /nfs/dbraw/zinc/12/24/83/900122483.db2.gz GRWKNNASKSKIBF-WUMKDDEVSA-N 2 1 377.532 3.844 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001137025466 900122487 /nfs/dbraw/zinc/12/24/87/900122487.db2.gz GRWKNNASKSKIBF-WUMKDDEVSA-N 2 1 377.532 3.844 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001137025466 900122490 /nfs/dbraw/zinc/12/24/90/900122490.db2.gz GRWKNNASKSKIBF-WUMKDDEVSA-N 2 1 377.532 3.844 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC000134803774 900124078 /nfs/dbraw/zinc/12/40/78/900124078.db2.gz OISAJNZDQLRIRW-WMZOPIPTSA-N 2 1 390.572 3.797 20 0 GHADMP CCN(CC)c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573146318 900392845 /nfs/dbraw/zinc/39/28/45/900392845.db2.gz XTDYNCHPVRUYKJ-WOJBJXKFSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573146318 900392852 /nfs/dbraw/zinc/39/28/52/900392852.db2.gz XTDYNCHPVRUYKJ-WOJBJXKFSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573146318 900392855 /nfs/dbraw/zinc/39/28/55/900392855.db2.gz XTDYNCHPVRUYKJ-WOJBJXKFSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000573146318 900392861 /nfs/dbraw/zinc/39/28/61/900392861.db2.gz XTDYNCHPVRUYKJ-WOJBJXKFSA-N 2 1 384.593 3.943 20 0 GHADMP Brc1ccc(-c2cnc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)o2)cc1 ZINC000844223209 900589391 /nfs/dbraw/zinc/58/93/91/900589391.db2.gz VMYWELFUJAKHGP-UHFFFAOYSA-N 2 1 376.298 3.680 20 0 GHADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574022378 900744908 /nfs/dbraw/zinc/74/49/08/900744908.db2.gz PEWLKDQKJSODRL-OAQYLSRUSA-N 2 1 396.579 3.726 20 0 GHADMP CC(C)c1nnc(C[NH+](C)[C@H]2CC[C@H]([N@H+](C)Cc3nnc(C(C)C)o3)CC2)o1 ZINC000886393890 900978810 /nfs/dbraw/zinc/97/88/10/900978810.db2.gz HHQGOEVJVCOPJJ-WKILWMFISA-N 2 1 390.532 3.574 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000574780297 901008963 /nfs/dbraw/zinc/00/89/63/901008963.db2.gz NJJUJUJYGFPKIQ-VIZSFHNOSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000575023511 901093040 /nfs/dbraw/zinc/09/30/40/901093040.db2.gz LTVOPMSIMLRZDO-QGZVFWFLSA-N 2 1 378.520 3.843 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)ccc1Cl ZINC000886636984 901202656 /nfs/dbraw/zinc/20/26/56/901202656.db2.gz ZZEAEGMTUVNMEK-UHOSZYNNSA-N 2 1 399.922 3.664 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)ccc1Cl ZINC000886636984 901202665 /nfs/dbraw/zinc/20/26/65/901202665.db2.gz ZZEAEGMTUVNMEK-UHOSZYNNSA-N 2 1 399.922 3.664 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)CO[C@H](C)c3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886669578 901216914 /nfs/dbraw/zinc/21/69/14/901216914.db2.gz ATOPKNNKWNAFCX-UZLBHIALSA-N 2 1 391.943 3.998 20 0 GHADMP Fc1ccc2n[nH]c(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001144196359 901236829 /nfs/dbraw/zinc/23/68/29/901236829.db2.gz DBPWXZONLNUSKN-UHFFFAOYSA-N 2 1 379.483 3.585 20 0 GHADMP Fc1ccc2[nH]nc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001144196359 901236838 /nfs/dbraw/zinc/23/68/38/901236838.db2.gz DBPWXZONLNUSKN-UHFFFAOYSA-N 2 1 379.483 3.585 20 0 GHADMP Fc1ccc2[nH]nc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001144196359 901236847 /nfs/dbraw/zinc/23/68/47/901236847.db2.gz DBPWXZONLNUSKN-UHFFFAOYSA-N 2 1 379.483 3.585 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(C[NH+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886822108 901285243 /nfs/dbraw/zinc/28/52/43/901285243.db2.gz MICWHYDLPNFDQL-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822108 901285252 /nfs/dbraw/zinc/28/52/52/901285252.db2.gz MICWHYDLPNFDQL-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822108 901285261 /nfs/dbraw/zinc/28/52/61/901285261.db2.gz MICWHYDLPNFDQL-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886816698 901285684 /nfs/dbraw/zinc/28/56/84/901285684.db2.gz XPSYMWSKZVJRQS-TWVZQSRDSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822111 901288108 /nfs/dbraw/zinc/28/81/08/901288108.db2.gz MICWHYDLPNFDQL-ZJZGAYNASA-N 2 1 384.564 3.688 20 0 GHADMP CC(C)(c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000576129136 901707767 /nfs/dbraw/zinc/70/77/67/901707767.db2.gz CJNBVBQAFCIHTD-FQEVSTJZSA-N 2 1 392.503 3.546 20 0 GHADMP Brc1ccc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc2c1 ZINC000576837154 902293576 /nfs/dbraw/zinc/29/35/76/902293576.db2.gz FKSKBNALKQQQPX-CQSZACIVSA-N 2 1 393.325 3.786 20 0 GHADMP CCC[C@@]1(CO)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@](CO)(CCC)C3)cc2)C1 ZINC000577022215 902438374 /nfs/dbraw/zinc/43/83/74/902438374.db2.gz MWQYDDCCQGNMET-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(C[NH+]3CC[C@@](CO)(CCC)C3)cc2)C1 ZINC000577022215 902438379 /nfs/dbraw/zinc/43/83/79/902438379.db2.gz MWQYDDCCQGNMET-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CCC[C@@]1(CO)CC[N@H+](Cc2ccc(C[NH+]3CC[C@@](CO)(CCC)C3)cc2)C1 ZINC000577022215 902438382 /nfs/dbraw/zinc/43/83/82/902438382.db2.gz MWQYDDCCQGNMET-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577080011 902488878 /nfs/dbraw/zinc/48/88/78/902488878.db2.gz VUTNSERJWPTFJM-GOSISDBHSA-N 2 1 392.547 3.886 20 0 GHADMP CCCOc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000577561886 902888682 /nfs/dbraw/zinc/88/86/82/902888682.db2.gz HXEIWGYEMHSONP-PMACEKPBSA-N 2 1 390.568 3.566 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000577636868 902983722 /nfs/dbraw/zinc/98/37/22/902983722.db2.gz AQXFETBHPSYSMS-IBGZPJMESA-N 2 1 379.548 3.753 20 0 GHADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000600854632 903008834 /nfs/dbraw/zinc/00/88/34/903008834.db2.gz OPZYTMKJPKZRLO-NJDAHSKKSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252443 903214148 /nfs/dbraw/zinc/21/41/48/903214148.db2.gz XBBMOCJZGUNADW-FTGYTKIOSA-N 2 1 391.559 3.919 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000779043616 903438154 /nfs/dbraw/zinc/43/81/54/903438154.db2.gz ONTLBAMHFCOGDC-QZTJIDSGSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000779043616 903438163 /nfs/dbraw/zinc/43/81/63/903438163.db2.gz ONTLBAMHFCOGDC-QZTJIDSGSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)c1sc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)nc1-c1ccccc1 ZINC000578237380 903642023 /nfs/dbraw/zinc/64/20/23/903642023.db2.gz KRVRHDZDLYNLOD-UHFFFAOYSA-N 2 1 398.576 3.948 20 0 GHADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000136564985 903793089 /nfs/dbraw/zinc/79/30/89/903793089.db2.gz SNXLSWUHJRKTHW-GOTSBHOMSA-N 2 1 395.547 3.518 20 0 GHADMP C[C@@H]1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001148249623 904016635 /nfs/dbraw/zinc/01/66/35/904016635.db2.gz JMYRMGDRSBTWMP-HXUWFJFHSA-N 2 1 379.548 3.527 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000290736321 914803035 /nfs/dbraw/zinc/80/30/35/914803035.db2.gz PRBOOFLOTCQEPD-QFIPXVFZSA-N 2 1 388.939 3.774 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000773118182 904448136 /nfs/dbraw/zinc/44/81/36/904448136.db2.gz MVXIAKXSAMFSDN-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000773118182 904448143 /nfs/dbraw/zinc/44/81/43/904448143.db2.gz MVXIAKXSAMFSDN-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]21 ZINC000579474134 904634274 /nfs/dbraw/zinc/63/42/74/904634274.db2.gz GEZSNHIWAZMWGF-KBRIMQKVSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]21 ZINC000579474134 904634285 /nfs/dbraw/zinc/63/42/85/904634285.db2.gz GEZSNHIWAZMWGF-KBRIMQKVSA-N 2 1 376.298 3.663 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCc3cc(F)c(F)c(F)c3C2)[nH+]1 ZINC001171546503 904777783 /nfs/dbraw/zinc/77/77/83/904777783.db2.gz JRKUJLVVNPTGFL-INIZCTEOSA-N 2 1 375.438 3.923 20 0 GHADMP Fc1cc2c(c(F)c1F)C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC001171505615 904782138 /nfs/dbraw/zinc/78/21/38/904782138.db2.gz KPXCFVLHYQHSAI-SFHVURJKSA-N 2 1 390.449 3.583 20 0 GHADMP Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001171556787 904827668 /nfs/dbraw/zinc/82/76/68/904827668.db2.gz MZQOFNWAWCDPQR-WXFUMESZSA-N 2 1 381.608 3.781 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3CC3CCCC3)cc2)CC1 ZINC001171631338 904851944 /nfs/dbraw/zinc/85/19/44/904851944.db2.gz KCVZSKVBCZOHFM-HSZRJFAPSA-N 2 1 398.595 3.812 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171631476 904853335 /nfs/dbraw/zinc/85/33/35/904853335.db2.gz JAFJZHMLZHCUBA-QFIPXVFZSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604869 904866402 /nfs/dbraw/zinc/86/64/02/904866402.db2.gz IDWRROXGHVXNBL-HCXYKTFWSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604869 904866419 /nfs/dbraw/zinc/86/64/19/904866419.db2.gz IDWRROXGHVXNBL-HCXYKTFWSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604869 904866438 /nfs/dbraw/zinc/86/64/38/904866438.db2.gz IDWRROXGHVXNBL-HCXYKTFWSA-N 2 1 379.589 3.684 20 0 GHADMP OCC[NH+]1CCC([NH2+]C2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001171645890 904891160 /nfs/dbraw/zinc/89/11/60/904891160.db2.gz ZKEIUZTVSMLXKZ-UHFFFAOYSA-N 2 1 381.358 3.522 20 0 GHADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673995 904915840 /nfs/dbraw/zinc/91/58/40/904915840.db2.gz IMFYGCYORJPOSY-FTBPSBKWSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673995 904915844 /nfs/dbraw/zinc/91/58/44/904915844.db2.gz IMFYGCYORJPOSY-FTBPSBKWSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673995 904915851 /nfs/dbraw/zinc/91/58/51/904915851.db2.gz IMFYGCYORJPOSY-FTBPSBKWSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676154 904919722 /nfs/dbraw/zinc/91/97/22/904919722.db2.gz XKKLXCYQZBTHDF-NQHRYMMQSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676154 904919736 /nfs/dbraw/zinc/91/97/36/904919736.db2.gz XKKLXCYQZBTHDF-NQHRYMMQSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676154 904919749 /nfs/dbraw/zinc/91/97/49/904919749.db2.gz XKKLXCYQZBTHDF-NQHRYMMQSA-N 2 1 393.575 3.934 20 0 GHADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)CC1(C)C ZINC001171639571 904927636 /nfs/dbraw/zinc/92/76/36/904927636.db2.gz PJCJLCDAJZYDMY-IAGOWNOFSA-N 2 1 379.589 3.827 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCCN(c3nccc(C(F)(F)F)n3)CC2)CC1(C)C ZINC001171638224 904928141 /nfs/dbraw/zinc/92/81/41/904928141.db2.gz XOLYHTFLIYMKDI-UHFFFAOYSA-N 2 1 399.505 3.659 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)CC1(C)C ZINC001171638391 904928218 /nfs/dbraw/zinc/92/82/18/904928218.db2.gz VATMYWYYIVCUDK-UHFFFAOYSA-N 2 1 379.552 3.591 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000646805498 914858684 /nfs/dbraw/zinc/85/86/84/914858684.db2.gz JOWPRHDSLCNTQX-RBUKOAKNSA-N 2 1 395.547 3.890 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C[N@H+]1Cc1ccccc1 ZINC001171756168 904991345 /nfs/dbraw/zinc/99/13/45/904991345.db2.gz PEQXIZXLDFIUPO-RYFAJOAYSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C[NH+]1Cc1ccccc1 ZINC001171756168 904991349 /nfs/dbraw/zinc/99/13/49/904991349.db2.gz PEQXIZXLDFIUPO-RYFAJOAYSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C[NH+]1Cc1ccccc1 ZINC001171756168 904991353 /nfs/dbraw/zinc/99/13/53/904991353.db2.gz PEQXIZXLDFIUPO-RYFAJOAYSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccc(O)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171734168 905015770 /nfs/dbraw/zinc/01/57/70/905015770.db2.gz MEQVRCCZEZSWNO-CVDCTZTESA-N 2 1 379.548 3.609 20 0 GHADMP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccc(O)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171734168 905015790 /nfs/dbraw/zinc/01/57/90/905015790.db2.gz MEQVRCCZEZSWNO-CVDCTZTESA-N 2 1 379.548 3.609 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171739758 905025940 /nfs/dbraw/zinc/02/59/40/905025940.db2.gz GEZQRUBWEKYNNQ-DENIHFKCSA-N 2 1 379.548 3.608 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742659 905033175 /nfs/dbraw/zinc/03/31/75/905033175.db2.gz YAZNHBLXZOWUAX-WDWDUUAGSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171742659 905033195 /nfs/dbraw/zinc/03/31/95/905033195.db2.gz YAZNHBLXZOWUAX-WDWDUUAGSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171742659 905033219 /nfs/dbraw/zinc/03/32/19/905033219.db2.gz YAZNHBLXZOWUAX-WDWDUUAGSA-N 2 1 378.564 3.817 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)C2 ZINC001171840220 905089720 /nfs/dbraw/zinc/08/97/20/905089720.db2.gz ZAJWIXKFVFLMQV-MKXGPGLRSA-N 2 1 377.573 3.914 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)C2 ZINC001171840220 905089737 /nfs/dbraw/zinc/08/97/37/905089737.db2.gz ZAJWIXKFVFLMQV-MKXGPGLRSA-N 2 1 377.573 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171964019 905171578 /nfs/dbraw/zinc/17/15/78/905171578.db2.gz JTCRLEGFPDWLKS-FQEVSTJZSA-N 2 1 387.568 3.886 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC[C@H](Oc3ncc(F)cn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171991504 905202883 /nfs/dbraw/zinc/20/28/83/905202883.db2.gz YXPWSNHJCGVVPQ-UXHICEINSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC[C@H](Oc3ncc(F)cn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171991504 905202895 /nfs/dbraw/zinc/20/28/95/905202895.db2.gz YXPWSNHJCGVVPQ-UXHICEINSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171991504 905202902 /nfs/dbraw/zinc/20/29/02/905202902.db2.gz YXPWSNHJCGVVPQ-UXHICEINSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171991504 905202910 /nfs/dbraw/zinc/20/29/10/905202910.db2.gz YXPWSNHJCGVVPQ-UXHICEINSA-N 2 1 384.499 3.512 20 0 GHADMP COC(=O)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171980916 905232674 /nfs/dbraw/zinc/23/26/74/905232674.db2.gz YIJXLGLDWJCMNF-JOCHJYFZSA-N 2 1 380.532 3.935 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983759 905237898 /nfs/dbraw/zinc/23/78/98/905237898.db2.gz AGMIXRZKKVRJGN-SFTDATJTSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983759 905237910 /nfs/dbraw/zinc/23/79/10/905237910.db2.gz AGMIXRZKKVRJGN-SFTDATJTSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983759 905237921 /nfs/dbraw/zinc/23/79/21/905237921.db2.gz AGMIXRZKKVRJGN-SFTDATJTSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983759 905237929 /nfs/dbraw/zinc/23/79/29/905237929.db2.gz AGMIXRZKKVRJGN-SFTDATJTSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171983197 905238205 /nfs/dbraw/zinc/23/82/05/905238205.db2.gz NMNOTQLQUSGSHH-IFMALSPDSA-N 2 1 377.532 3.973 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171983197 905238207 /nfs/dbraw/zinc/23/82/07/905238207.db2.gz NMNOTQLQUSGSHH-IFMALSPDSA-N 2 1 377.532 3.973 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](Oc3cnccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985885 905243318 /nfs/dbraw/zinc/24/33/18/905243318.db2.gz CRJYCNZEDWCPLI-SFTDATJTSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@H](Oc3cnccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985885 905243327 /nfs/dbraw/zinc/24/33/27/905243327.db2.gz CRJYCNZEDWCPLI-SFTDATJTSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@H](Oc3cnccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985885 905243335 /nfs/dbraw/zinc/24/33/35/905243335.db2.gz CRJYCNZEDWCPLI-SFTDATJTSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@H](Oc3cnccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985885 905243344 /nfs/dbraw/zinc/24/33/44/905243344.db2.gz CRJYCNZEDWCPLI-SFTDATJTSA-N 2 1 380.536 3.763 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986993 905246551 /nfs/dbraw/zinc/24/65/51/905246551.db2.gz OHGFYNVEZIIMDV-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986993 905246568 /nfs/dbraw/zinc/24/65/68/905246568.db2.gz OHGFYNVEZIIMDV-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986993 905246581 /nfs/dbraw/zinc/24/65/81/905246581.db2.gz OHGFYNVEZIIMDV-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986993 905246598 /nfs/dbraw/zinc/24/65/98/905246598.db2.gz OHGFYNVEZIIMDV-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP O=c1ccc2c([nH]1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172060429 905262021 /nfs/dbraw/zinc/26/20/21/905262021.db2.gz AGYMUGDVIOEAEJ-YSFYHYPLSA-N 2 1 377.532 3.820 20 0 GHADMP O=C(NC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001172074205 905281060 /nfs/dbraw/zinc/28/10/60/905281060.db2.gz GFMVOXQUEIFMEK-NUNAXRQHSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(C1CCC1)N1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172076450 905288119 /nfs/dbraw/zinc/28/81/19/905288119.db2.gz YSLSVPKDPCPDDY-BKFWDETESA-N 2 1 395.591 3.907 20 0 GHADMP O=C(C1CCC1)N1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172076450 905288136 /nfs/dbraw/zinc/28/81/36/905288136.db2.gz YSLSVPKDPCPDDY-BKFWDETESA-N 2 1 395.591 3.907 20 0 GHADMP O=C(C1CCC1)N1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076450 905288150 /nfs/dbraw/zinc/28/81/50/905288150.db2.gz YSLSVPKDPCPDDY-BKFWDETESA-N 2 1 395.591 3.907 20 0 GHADMP O=C(C1CCC1)N1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076450 905288163 /nfs/dbraw/zinc/28/81/63/905288163.db2.gz YSLSVPKDPCPDDY-BKFWDETESA-N 2 1 395.591 3.907 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090813 905312703 /nfs/dbraw/zinc/31/27/03/905312703.db2.gz XIZASHQJGVYAND-AFXVXQJMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090813 905312717 /nfs/dbraw/zinc/31/27/17/905312717.db2.gz XIZASHQJGVYAND-AFXVXQJMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090813 905312736 /nfs/dbraw/zinc/31/27/36/905312736.db2.gz XIZASHQJGVYAND-AFXVXQJMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090813 905312755 /nfs/dbraw/zinc/31/27/55/905312755.db2.gz XIZASHQJGVYAND-AFXVXQJMSA-N 2 1 392.547 3.906 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C1)C2 ZINC001172061787 905324831 /nfs/dbraw/zinc/32/48/31/905324831.db2.gz NORHKHULMHPZDO-XQBPLPMBSA-N 2 1 391.600 3.972 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172064717 905326607 /nfs/dbraw/zinc/32/66/07/905326607.db2.gz JFRQPLNILNSPOB-JOZNFPNDSA-N 2 1 385.596 3.663 20 0 GHADMP CC(C)NC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067735 905335302 /nfs/dbraw/zinc/33/53/02/905335302.db2.gz RZRCZOOLRYMHQH-WBDAEOGXSA-N 2 1 398.595 3.744 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(F)(F)F)cc3F)CC1)C2 ZINC001172128598 905340907 /nfs/dbraw/zinc/34/09/07/905340907.db2.gz SPGWNXGBYUMYFA-FVQHAEBGSA-N 2 1 385.449 3.982 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(C(F)(F)F)cc3F)CC1)C2 ZINC001172128598 905340919 /nfs/dbraw/zinc/34/09/19/905340919.db2.gz SPGWNXGBYUMYFA-FVQHAEBGSA-N 2 1 385.449 3.982 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1cccc(C(F)(F)F)n1)C1CC[NH2+]CC1)C2 ZINC001172134065 905346248 /nfs/dbraw/zinc/34/62/48/905346248.db2.gz WRPSKLLGXUCFOI-FVQHAEBGSA-N 2 1 382.474 3.674 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3nnc(-c4ccc(F)cc4)n3c1)C2 ZINC001172111020 905360153 /nfs/dbraw/zinc/36/01/53/905360153.db2.gz OHXRTHXXCDJNLW-ACDBMABISA-N 2 1 379.483 3.640 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001172110949 905360516 /nfs/dbraw/zinc/36/05/16/905360516.db2.gz MKUFNQKKMJIDNA-REPLKXPHSA-N 2 1 381.486 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cc(F)c(OC3CCOCC3)c(F)c1)C2 ZINC001172115578 905366832 /nfs/dbraw/zinc/36/68/32/905366832.db2.gz SONVDXXKOSULBL-BJWYYQGGSA-N 2 1 380.479 3.628 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC001172115088 905367418 /nfs/dbraw/zinc/36/74/18/905367418.db2.gz QQHFKPPJSJGERH-XMTFNYHQSA-N 2 1 395.341 3.658 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC001172216577 905420583 /nfs/dbraw/zinc/42/05/83/905420583.db2.gz WTMKKQFRPKPIMU-IRQNMHNUSA-N 2 1 390.955 3.721 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001172216577 905420593 /nfs/dbraw/zinc/42/05/93/905420593.db2.gz WTMKKQFRPKPIMU-IRQNMHNUSA-N 2 1 390.955 3.721 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172560750 905623518 /nfs/dbraw/zinc/62/35/18/905623518.db2.gz SHXSJDZDIOCVRR-MOUTVQLLSA-N 2 1 395.591 3.730 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+](C4CCC5(CCCC5)CC4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001172725605 905773772 /nfs/dbraw/zinc/77/37/72/905773772.db2.gz GAFUDZKLOHXQTM-PUHATCMVSA-N 2 1 397.611 3.956 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+](C4CCC5(CCCC5)CC4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001172725605 905773783 /nfs/dbraw/zinc/77/37/83/905773783.db2.gz GAFUDZKLOHXQTM-PUHATCMVSA-N 2 1 397.611 3.956 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[N@@H+](C4CCC5(CCCC5)CC4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001172725605 905773788 /nfs/dbraw/zinc/77/37/88/905773788.db2.gz GAFUDZKLOHXQTM-PUHATCMVSA-N 2 1 397.611 3.956 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[N@H+](C4CCC5(CCCC5)CC4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001172725605 905773799 /nfs/dbraw/zinc/77/37/99/905773799.db2.gz GAFUDZKLOHXQTM-PUHATCMVSA-N 2 1 397.611 3.956 20 0 GHADMP COc1ccccc1C[N@@H+]([C@@H](C)CCC(=O)OC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172750878 905788333 /nfs/dbraw/zinc/78/83/33/905788333.db2.gz HIAZNRZLNKBQJO-IHPCNDPISA-N 2 1 376.541 3.887 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001172808732 905840223 /nfs/dbraw/zinc/84/02/23/905840223.db2.gz PWRRCICYUOOUCQ-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001172808732 905840229 /nfs/dbraw/zinc/84/02/29/905840229.db2.gz PWRRCICYUOOUCQ-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001172808732 905840232 /nfs/dbraw/zinc/84/02/32/905840232.db2.gz PWRRCICYUOOUCQ-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172816069 905847032 /nfs/dbraw/zinc/84/70/32/905847032.db2.gz ZOEJOZTUPRGQRZ-YOFSQIOKSA-N 2 1 398.551 3.655 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001172797672 905870579 /nfs/dbraw/zinc/87/05/79/905870579.db2.gz IJNOLBNVGORHIM-VIRXGOPMSA-N 2 1 390.527 3.685 20 0 GHADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)CC1 ZINC001172896917 905917913 /nfs/dbraw/zinc/91/79/13/905917913.db2.gz KQYQFVSQSNYEEW-LJQANCHMSA-N 2 1 398.551 3.830 20 0 GHADMP CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212690051 905979604 /nfs/dbraw/zinc/97/96/04/905979604.db2.gz UJIZSMYYUVBHLW-UHFFFAOYSA-N 2 1 391.519 3.725 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001173061995 906139190 /nfs/dbraw/zinc/13/91/90/906139190.db2.gz RVPMSBCHEAREFI-QFBILLFUSA-N 2 1 391.531 3.864 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001173110130 906197120 /nfs/dbraw/zinc/19/71/20/906197120.db2.gz PFWQOTOPDRQJGY-ZMTPEHOPSA-N 2 1 379.589 3.828 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001173113283 906200258 /nfs/dbraw/zinc/20/02/58/906200258.db2.gz JJQINNNTURKDEL-GPANFISMSA-N 2 1 386.462 3.602 20 0 GHADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+](C1CCC3(CCCCC3)CC1)C2 ZINC001173118975 906206499 /nfs/dbraw/zinc/20/64/99/906206499.db2.gz DRWQCKGOCPTLAU-UHFFFAOYSA-N 2 1 398.595 3.938 20 0 GHADMP [NH3+]C1(c2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173123906 906208552 /nfs/dbraw/zinc/20/85/52/906208552.db2.gz BATSKRHXNTVSJK-HNNXBMFYSA-N 2 1 381.467 3.969 20 0 GHADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+]([C@H]1CCCC3(CCCCC3)C1)C2 ZINC001173344924 906386102 /nfs/dbraw/zinc/38/61/02/906386102.db2.gz ZUYBBDOWPLAFQV-NRFANRHFSA-N 2 1 398.595 3.938 20 0 GHADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173387550 906416317 /nfs/dbraw/zinc/41/63/17/906416317.db2.gz XXLISETUWHDQOH-KZNAEPCWSA-N 2 1 398.588 3.516 20 0 GHADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001173452729 906493327 /nfs/dbraw/zinc/49/33/27/906493327.db2.gz PISKRYHDSGZQCG-LJQANCHMSA-N 2 1 387.568 3.880 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173608777 906562895 /nfs/dbraw/zinc/56/28/95/906562895.db2.gz PFINNFNRQKXCBI-XTOWJZAESA-N 2 1 385.552 3.666 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001173660490 906596933 /nfs/dbraw/zinc/59/69/33/906596933.db2.gz KVEBLPYPISUCSP-LAUBAEHRSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001173660490 906596945 /nfs/dbraw/zinc/59/69/45/906596945.db2.gz KVEBLPYPISUCSP-LAUBAEHRSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001173726311 906691807 /nfs/dbraw/zinc/69/18/07/906691807.db2.gz VYWKMCQFUVGJHB-LJQANCHMSA-N 2 1 396.531 3.985 20 0 GHADMP CC(C)CC1(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000365949050 921263273 /nfs/dbraw/zinc/26/32/73/921263273.db2.gz OCCIMPNFLYEFFN-UHFFFAOYSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629518209 906847390 /nfs/dbraw/zinc/84/73/90/906847390.db2.gz GHCXVZWPUKCZFT-OWAUWMPXSA-N 2 1 399.538 3.932 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1C(F)(F)F ZINC000629566431 906871860 /nfs/dbraw/zinc/87/18/60/906871860.db2.gz YSZSPWVMPMAQLP-QFBILLFUSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1C(F)(F)F ZINC000629566431 906871880 /nfs/dbraw/zinc/87/18/80/906871880.db2.gz YSZSPWVMPMAQLP-QFBILLFUSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629569889 906874246 /nfs/dbraw/zinc/87/42/46/906874246.db2.gz YMEGXASRTRRANH-HKUYNNGSSA-N 2 1 391.437 3.898 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629569889 906874260 /nfs/dbraw/zinc/87/42/60/906874260.db2.gz YMEGXASRTRRANH-HKUYNNGSSA-N 2 1 391.437 3.898 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1C(F)(F)F ZINC000629569892 906875735 /nfs/dbraw/zinc/87/57/35/906875735.db2.gz YMEGXASRTRRANH-PKOBYXMFSA-N 2 1 391.437 3.898 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1C(F)(F)F ZINC000629569892 906875741 /nfs/dbraw/zinc/87/57/41/906875741.db2.gz YMEGXASRTRRANH-PKOBYXMFSA-N 2 1 391.437 3.898 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000629602890 906895364 /nfs/dbraw/zinc/89/53/64/906895364.db2.gz XGBJNWCRONKMQM-FCHUYYIVSA-N 2 1 383.536 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000629602890 906895373 /nfs/dbraw/zinc/89/53/73/906895373.db2.gz XGBJNWCRONKMQM-FCHUYYIVSA-N 2 1 383.536 3.826 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000779473966 907257054 /nfs/dbraw/zinc/25/70/54/907257054.db2.gz LOGWANGWQYWNOV-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP C/C=C/C[C@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)C1 ZINC001175052500 907355885 /nfs/dbraw/zinc/35/58/85/907355885.db2.gz GCAASHXLAOBLTB-SIAOZKNOSA-N 2 1 383.580 3.708 20 0 GHADMP C/C=C/C[C@H]1CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC001175052500 907355901 /nfs/dbraw/zinc/35/59/01/907355901.db2.gz GCAASHXLAOBLTB-SIAOZKNOSA-N 2 1 383.580 3.708 20 0 GHADMP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C(=O)OC)c3cccnc23)CC1 ZINC001175156077 907383058 /nfs/dbraw/zinc/38/30/58/907383058.db2.gz MFZMOERYAZXIKX-UHFFFAOYSA-N 2 1 381.520 3.862 20 0 GHADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175352772 907514522 /nfs/dbraw/zinc/51/45/22/907514522.db2.gz RNEWWTXZKLQYGJ-QGZVFWFLSA-N 2 1 375.340 3.541 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175352772 907514527 /nfs/dbraw/zinc/51/45/27/907514527.db2.gz RNEWWTXZKLQYGJ-QGZVFWFLSA-N 2 1 375.340 3.541 20 0 GHADMP CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(C)ccn1 ZINC000631578888 907765635 /nfs/dbraw/zinc/76/56/35/907765635.db2.gz BBPLDPNWPYPRNL-YADHBBJMSA-N 2 1 394.563 3.718 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCc4ncccc43)C3(C2)CCOCC3)cc1 ZINC000631634900 907784967 /nfs/dbraw/zinc/78/49/67/907784967.db2.gz NWWXAKDUCZVYLP-XUZZJYLKSA-N 2 1 391.559 3.977 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)cc1 ZINC000192679057 907840628 /nfs/dbraw/zinc/84/06/28/907840628.db2.gz KKTAREWSWNDERF-NOTZXAQLSA-N 2 1 377.532 3.640 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)cc1 ZINC000192679057 907840636 /nfs/dbraw/zinc/84/06/36/907840636.db2.gz KKTAREWSWNDERF-NOTZXAQLSA-N 2 1 377.532 3.640 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186235187 907893959 /nfs/dbraw/zinc/89/39/59/907893959.db2.gz DMCPUEUWXQXPKX-JOCHJYFZSA-N 2 1 396.535 3.517 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186235187 907893968 /nfs/dbraw/zinc/89/39/68/907893968.db2.gz DMCPUEUWXQXPKX-JOCHJYFZSA-N 2 1 396.535 3.517 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@@H](C2OCCO2)C1)c1ccccc1 ZINC001176209658 907984981 /nfs/dbraw/zinc/98/49/81/907984981.db2.gz IYLKNYNASZXNKS-PKTZIBPZSA-N 2 1 380.532 3.597 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCS2 ZINC000188037408 908170057 /nfs/dbraw/zinc/17/00/57/908170057.db2.gz ATKVGKLTGKNZHH-OXQOHEQNSA-N 2 1 376.566 3.713 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366220085 921388149 /nfs/dbraw/zinc/38/81/49/921388149.db2.gz COEGUVYXEQCOPF-VTZPFEBOSA-N 2 1 392.591 3.794 20 0 GHADMP C[NH+](C)C1(C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCCCC1 ZINC001177065914 908389669 /nfs/dbraw/zinc/38/96/69/908389669.db2.gz HPJPSPQJIPUAPY-CQSZACIVSA-N 2 1 381.483 3.686 20 0 GHADMP CC(=O)NCC1CCC([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001177281936 908515953 /nfs/dbraw/zinc/51/59/53/908515953.db2.gz DEJAWTPQHANSEK-RRGHFHOKSA-N 2 1 385.596 3.949 20 0 GHADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001177453904 908576452 /nfs/dbraw/zinc/57/64/52/908576452.db2.gz GNRYJRNGWCSLSP-CZSZKKDXSA-N 2 1 393.575 3.832 20 0 GHADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001177453904 908576461 /nfs/dbraw/zinc/57/64/61/908576461.db2.gz GNRYJRNGWCSLSP-CZSZKKDXSA-N 2 1 393.575 3.832 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCS2 ZINC000191547367 908640356 /nfs/dbraw/zinc/64/03/56/908640356.db2.gz PPPODWNLOURBMP-GHTZIAJQSA-N 2 1 384.545 3.589 20 0 GHADMP CCc1cc(N2CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)ncn1 ZINC001177971901 908821922 /nfs/dbraw/zinc/82/19/22/908821922.db2.gz AHVMLGFTSOYFGB-UHFFFAOYSA-N 2 1 395.595 3.756 20 0 GHADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Br)ccc(Cl)c2F)CC1 ZINC001178184316 908930244 /nfs/dbraw/zinc/93/02/44/908930244.db2.gz MOXIPQLLDYTIIQ-UHFFFAOYSA-N 2 1 393.728 3.567 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(O)c1 ZINC000194881229 908971762 /nfs/dbraw/zinc/97/17/62/908971762.db2.gz HIMXSKALXQJGAD-GOSISDBHSA-N 2 1 384.520 3.733 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000266431700 909153501 /nfs/dbraw/zinc/15/35/01/909153501.db2.gz SOKMFXFIGZVQNK-QHCPKHFHSA-N 2 1 391.559 3.877 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001178727454 909221256 /nfs/dbraw/zinc/22/12/56/909221256.db2.gz UCAXLZNCABBKCD-AUSIDOKSSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[C@H]2CC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000635767927 909344526 /nfs/dbraw/zinc/34/45/26/909344526.db2.gz UPKSZWSHZBORPC-IFMALSPDSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000635767927 909344544 /nfs/dbraw/zinc/34/45/44/909344544.db2.gz UPKSZWSHZBORPC-IFMALSPDSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000635767927 909344564 /nfs/dbraw/zinc/34/45/64/909344564.db2.gz UPKSZWSHZBORPC-IFMALSPDSA-N 2 1 387.568 3.746 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001179338807 909495436 /nfs/dbraw/zinc/49/54/36/909495436.db2.gz OJDHWKVHRCRQEK-ICSRJNTNSA-N 2 1 378.495 3.869 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001179338807 909495451 /nfs/dbraw/zinc/49/54/51/909495451.db2.gz OJDHWKVHRCRQEK-ICSRJNTNSA-N 2 1 378.495 3.869 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001179771421 909698043 /nfs/dbraw/zinc/69/80/43/909698043.db2.gz DJZKQVWPGJVLBO-FGTMMUONSA-N 2 1 392.469 3.829 20 0 GHADMP COCCOC[C@@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001179854346 909770275 /nfs/dbraw/zinc/77/02/75/909770275.db2.gz FGWUPRNXNJGJKA-ISKFKSNPSA-N 2 1 388.596 3.910 20 0 GHADMP COCCOC[C@@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001179854346 909770281 /nfs/dbraw/zinc/77/02/81/909770281.db2.gz FGWUPRNXNJGJKA-ISKFKSNPSA-N 2 1 388.596 3.910 20 0 GHADMP COCCOC[C@@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001179854346 909770290 /nfs/dbraw/zinc/77/02/90/909770290.db2.gz FGWUPRNXNJGJKA-ISKFKSNPSA-N 2 1 388.596 3.910 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000245910161 909993678 /nfs/dbraw/zinc/99/36/78/909993678.db2.gz VAKKTPHNMHLTLN-BHIYHBOVSA-N 2 1 393.597 3.996 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000245910161 909993686 /nfs/dbraw/zinc/99/36/86/909993686.db2.gz VAKKTPHNMHLTLN-BHIYHBOVSA-N 2 1 393.597 3.996 20 0 GHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000268815551 910028955 /nfs/dbraw/zinc/02/89/55/910028955.db2.gz MGPWHBDNMWGOJM-LJQANCHMSA-N 2 1 395.547 3.712 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638289699 910106070 /nfs/dbraw/zinc/10/60/70/910106070.db2.gz AGYPKPMPAIAPEH-OALUTQOASA-N 2 1 380.374 3.658 20 0 GHADMP CCn1ncnc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000638352685 910129450 /nfs/dbraw/zinc/12/94/50/910129450.db2.gz QCAKXWUEVGRGAR-UHFFFAOYSA-N 2 1 375.520 3.851 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638747644 910224075 /nfs/dbraw/zinc/22/40/75/910224075.db2.gz DNSWJEMOMCNGPV-QNWVGRARSA-N 2 1 381.564 3.735 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638747644 910224081 /nfs/dbraw/zinc/22/40/81/910224081.db2.gz DNSWJEMOMCNGPV-QNWVGRARSA-N 2 1 381.564 3.735 20 0 GHADMP COc1cc2cccnc2c(N(C(=O)C[N@@H+](C)C2CCCC2)[C@@H](C)CCC[NH3+])c1 ZINC001180630113 910275669 /nfs/dbraw/zinc/27/56/69/910275669.db2.gz KASZGIGGOJEXED-KRWDZBQOSA-N 2 1 398.551 3.578 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC001181244128 910625652 /nfs/dbraw/zinc/62/56/52/910625652.db2.gz NATYMAWXTAOANA-FXAWDEMLSA-N 2 1 378.582 3.613 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@H]1c1ncccn1)CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639863653 910710136 /nfs/dbraw/zinc/71/01/36/910710136.db2.gz AGZRWPUUGURMFL-ACDBMABISA-N 2 1 380.540 3.657 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1c1ncccn1)CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639863653 910710144 /nfs/dbraw/zinc/71/01/44/910710144.db2.gz AGZRWPUUGURMFL-ACDBMABISA-N 2 1 380.540 3.657 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1c1ncccn1)CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639863653 910710159 /nfs/dbraw/zinc/71/01/59/910710159.db2.gz AGZRWPUUGURMFL-ACDBMABISA-N 2 1 380.540 3.657 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000801923286 921631741 /nfs/dbraw/zinc/63/17/41/921631741.db2.gz CZGWXAOODBUZGF-PMACEKPBSA-N 2 1 379.589 3.831 20 0 GHADMP CN(Cc1ccccc1)[C@H](C(=O)NCc1[nH+]cn2ccccc12)c1ccccc1 ZINC001182243602 911326247 /nfs/dbraw/zinc/32/62/47/911326247.db2.gz HUMJRRMHMOLYQX-QHCPKHFHSA-N 2 1 384.483 3.824 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001182317374 911446611 /nfs/dbraw/zinc/44/66/11/911446611.db2.gz PHEYXWFWKZQPQB-RPWUZVMVSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001182317374 911446621 /nfs/dbraw/zinc/44/66/21/911446621.db2.gz PHEYXWFWKZQPQB-RPWUZVMVSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001182317374 911446630 /nfs/dbraw/zinc/44/66/30/911446630.db2.gz PHEYXWFWKZQPQB-RPWUZVMVSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001182317374 911446638 /nfs/dbraw/zinc/44/66/38/911446638.db2.gz PHEYXWFWKZQPQB-RPWUZVMVSA-N 2 1 391.559 3.722 20 0 GHADMP C[C@@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000641820315 911529355 /nfs/dbraw/zinc/52/93/55/911529355.db2.gz KGRNAMNRTWCACK-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774362326 911670724 /nfs/dbraw/zinc/67/07/24/911670724.db2.gz JXQFMDNJDZKXMA-KMKNWIINSA-N 2 1 385.552 3.639 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000284119185 911760898 /nfs/dbraw/zinc/76/08/98/911760898.db2.gz PFXIOUUOXBTIIO-PLYUQDFWSA-N 2 1 386.580 3.587 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000284119199 911761689 /nfs/dbraw/zinc/76/16/89/911761689.db2.gz PFXIOUUOXBTIIO-WYZYGFAWSA-N 2 1 386.580 3.587 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[N@H+](C4CC4)C[C@H]3C)c2c1C ZINC000466803741 911881189 /nfs/dbraw/zinc/88/11/89/911881189.db2.gz SOSHRVWMTBOZAB-DYVFJYSZSA-N 2 1 385.581 3.799 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)c2c1C ZINC000466803741 911881206 /nfs/dbraw/zinc/88/12/06/911881206.db2.gz SOSHRVWMTBOZAB-DYVFJYSZSA-N 2 1 385.581 3.799 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000248430472 912092546 /nfs/dbraw/zinc/09/25/46/912092546.db2.gz VVSCRZSUMALFIN-XMZFGDCGSA-N 2 1 391.559 3.842 20 0 GHADMP CCC(CC)(CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)[NH2+][C@H](C)c1ccccc1 ZINC000290942407 914880288 /nfs/dbraw/zinc/88/02/88/914880288.db2.gz ZWFYVCJZUABAGF-XLIONFOSSA-N 2 1 382.552 3.780 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000646946184 914944360 /nfs/dbraw/zinc/94/43/60/914944360.db2.gz HQEATMYMNNPCEJ-QFIPXVFZSA-N 2 1 379.548 3.950 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000291103335 914978363 /nfs/dbraw/zinc/97/83/63/914978363.db2.gz JOJVEJWKARACRE-XMSQKQJNSA-N 2 1 380.536 3.923 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000291103335 914978371 /nfs/dbraw/zinc/97/83/71/914978371.db2.gz JOJVEJWKARACRE-XMSQKQJNSA-N 2 1 380.536 3.923 20 0 GHADMP CN(C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000291206157 915037275 /nfs/dbraw/zinc/03/72/75/915037275.db2.gz KLKAPPULWUYJBD-SSWODZADSA-N 2 1 398.595 3.555 20 0 GHADMP CN(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291206157 915037286 /nfs/dbraw/zinc/03/72/86/915037286.db2.gz KLKAPPULWUYJBD-SSWODZADSA-N 2 1 398.595 3.555 20 0 GHADMP CN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291206157 915037300 /nfs/dbraw/zinc/03/73/00/915037300.db2.gz KLKAPPULWUYJBD-SSWODZADSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344442 915167596 /nfs/dbraw/zinc/16/75/96/915167596.db2.gz QMYAYXMZRLURID-YFJHUXEUSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H](NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647344442 915167599 /nfs/dbraw/zinc/16/75/99/915167599.db2.gz QMYAYXMZRLURID-YFJHUXEUSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H](NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647344442 915167604 /nfs/dbraw/zinc/16/76/04/915167604.db2.gz QMYAYXMZRLURID-YFJHUXEUSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344442 915167613 /nfs/dbraw/zinc/16/76/13/915167613.db2.gz QMYAYXMZRLURID-YFJHUXEUSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344442 915167624 /nfs/dbraw/zinc/16/76/24/915167624.db2.gz QMYAYXMZRLURID-YFJHUXEUSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647344442 915167633 /nfs/dbraw/zinc/16/76/33/915167633.db2.gz QMYAYXMZRLURID-YFJHUXEUSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647344442 915167640 /nfs/dbraw/zinc/16/76/40/915167640.db2.gz QMYAYXMZRLURID-YFJHUXEUSA-N 3 1 377.576 3.832 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc(OC)c1O ZINC000647532589 915317151 /nfs/dbraw/zinc/31/71/51/915317151.db2.gz LOMCCLYUDILJPW-WOJBJXKFSA-N 2 1 384.520 3.582 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cc1ccccc1 ZINC000647976612 915457314 /nfs/dbraw/zinc/45/73/14/915457314.db2.gz QYTYDEMYGMWONM-PKTZIBPZSA-N 2 1 391.559 3.928 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975469 915457952 /nfs/dbraw/zinc/45/79/52/915457952.db2.gz ASONZECAYRUAOI-JKSUJKDBSA-N 2 1 394.441 3.967 20 0 GHADMP CCC[N@H+](Cc1ccnn1CC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000648009185 915477583 /nfs/dbraw/zinc/47/75/83/915477583.db2.gz UFTUSDSECLQVLH-UHFFFAOYSA-N 2 1 384.572 3.827 20 0 GHADMP CCC[N@@H+](Cc1ccnn1CC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000648009185 915477589 /nfs/dbraw/zinc/47/75/89/915477589.db2.gz UFTUSDSECLQVLH-UHFFFAOYSA-N 2 1 384.572 3.827 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377972 915645114 /nfs/dbraw/zinc/64/51/14/915645114.db2.gz ZOWBOSVZKVQCHC-YDHSSHFGSA-N 2 1 379.548 3.950 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377972 915645118 /nfs/dbraw/zinc/64/51/18/915645118.db2.gz ZOWBOSVZKVQCHC-YDHSSHFGSA-N 2 1 379.548 3.950 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000648831631 915898332 /nfs/dbraw/zinc/89/83/32/915898332.db2.gz DWOAYOOTEVBSHE-SFHVURJKSA-N 2 1 384.524 3.900 20 0 GHADMP COc1cc(C[NH+](C)Cc2cccnc2)cc(C[N@H+](C)Cc2cccnc2)c1 ZINC000292968512 915926238 /nfs/dbraw/zinc/92/62/38/915926238.db2.gz PUNKRVMKEXYQFA-UHFFFAOYSA-N 2 1 376.504 3.749 20 0 GHADMP COc1cc(C[NH+](C)Cc2cccnc2)cc(C[N@@H+](C)Cc2cccnc2)c1 ZINC000292968512 915926253 /nfs/dbraw/zinc/92/62/53/915926253.db2.gz PUNKRVMKEXYQFA-UHFFFAOYSA-N 2 1 376.504 3.749 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000648894342 915928383 /nfs/dbraw/zinc/92/83/83/915928383.db2.gz XYYOICRJTKEWDV-UYAOXDASSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000648894342 915928392 /nfs/dbraw/zinc/92/83/92/915928392.db2.gz XYYOICRJTKEWDV-UYAOXDASSA-N 2 1 382.552 3.814 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000649381554 916131313 /nfs/dbraw/zinc/13/13/13/916131313.db2.gz WKDDSCNZBSPSLK-LJQANCHMSA-N 2 1 393.531 3.690 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000649381554 916131317 /nfs/dbraw/zinc/13/13/17/916131317.db2.gz WKDDSCNZBSPSLK-LJQANCHMSA-N 2 1 393.531 3.690 20 0 GHADMP Cn1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)cs2)cn1 ZINC000649417139 916148188 /nfs/dbraw/zinc/14/81/88/916148188.db2.gz YXQSETXTIKGWCZ-GHTZIAJQSA-N 2 1 395.576 3.716 20 0 GHADMP Cn1cc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)cs2)cn1 ZINC000649417139 916148195 /nfs/dbraw/zinc/14/81/95/916148195.db2.gz YXQSETXTIKGWCZ-GHTZIAJQSA-N 2 1 395.576 3.716 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293511459 916237490 /nfs/dbraw/zinc/23/74/90/916237490.db2.gz CFJHYDXPHALANF-UHFFFAOYSA-N 2 1 391.471 3.532 20 0 GHADMP CCCCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000294654735 916915087 /nfs/dbraw/zinc/91/50/87/916915087.db2.gz RLWFVDVWLMFQAK-UHFFFAOYSA-N 2 1 383.540 3.819 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000650417901 916971464 /nfs/dbraw/zinc/97/14/64/916971464.db2.gz GVCDDLNLROGFMV-WOJBJXKFSA-N 2 1 388.581 3.623 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000652361965 917882239 /nfs/dbraw/zinc/88/22/39/917882239.db2.gz UTFAIJKPWCIMTK-NZSAHSFTSA-N 2 1 375.900 3.856 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000653121388 918133946 /nfs/dbraw/zinc/13/39/46/918133946.db2.gz STVZMRUYEBDKDL-LMMKCTJWSA-N 2 1 397.485 3.594 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000363372373 918166648 /nfs/dbraw/zinc/16/66/48/918166648.db2.gz WIHHDTSYOQIABH-RTBURBONSA-N 2 1 385.508 3.595 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1c(C)noc1C ZINC000363372373 918166655 /nfs/dbraw/zinc/16/66/55/918166655.db2.gz WIHHDTSYOQIABH-RTBURBONSA-N 2 1 385.508 3.595 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775493447 918344362 /nfs/dbraw/zinc/34/43/62/918344362.db2.gz SOIKXHOTDNTENW-GHTZIAJQSA-N 2 1 379.504 3.643 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654446703 919132362 /nfs/dbraw/zinc/13/23/62/919132362.db2.gz SCYZTHJWLMAVLW-STZQEDGTSA-N 2 1 384.568 3.528 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000380570189 919305249 /nfs/dbraw/zinc/30/52/49/919305249.db2.gz HUYYFLFRJOPIPI-OTWHNJEPSA-N 2 1 376.545 3.739 20 0 GHADMP CC[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000800347180 919941783 /nfs/dbraw/zinc/94/17/83/919941783.db2.gz VTPFAUDIFUADCR-FQEVSTJZSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+](CC1CN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000800347180 919941791 /nfs/dbraw/zinc/94/17/91/919941791.db2.gz VTPFAUDIFUADCR-FQEVSTJZSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+](CC1CN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000800347180 919941803 /nfs/dbraw/zinc/94/18/03/919941803.db2.gz VTPFAUDIFUADCR-FQEVSTJZSA-N 2 1 387.568 3.697 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000800372662 919996964 /nfs/dbraw/zinc/99/69/64/919996964.db2.gz YBZYJDFAWKNMJL-LJQANCHMSA-N 2 1 383.502 3.911 20 0 GHADMP Cc1ccc(-c2csc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2)cc1 ZINC000367544421 922183652 /nfs/dbraw/zinc/18/36/52/922183652.db2.gz LRVQGVCWNWPBMU-FQEVSTJZSA-N 2 1 384.593 3.719 20 0 GHADMP Cc1ccc(-c2csc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2)cc1 ZINC000367544421 922183660 /nfs/dbraw/zinc/18/36/60/922183660.db2.gz LRVQGVCWNWPBMU-FQEVSTJZSA-N 2 1 384.593 3.719 20 0 GHADMP c1ccc([C@H](CCc2cccnc2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000902796390 922502965 /nfs/dbraw/zinc/50/29/65/922502965.db2.gz PHWVQLVAEFNLAT-QHCPKHFHSA-N 2 1 379.548 3.990 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C(F)(F)F)cn1 ZINC000902994435 922696422 /nfs/dbraw/zinc/69/64/22/922696422.db2.gz OZUUZTSPRQZKAE-CQSZACIVSA-N 2 1 382.430 3.677 20 0 GHADMP COc1ccc([C@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cc1C[NH+]1CCCCC1 ZINC000903064524 922740447 /nfs/dbraw/zinc/74/04/47/922740447.db2.gz NGWCYYKAKLPWAF-UWJYYQICSA-N 2 1 385.556 3.858 20 0 GHADMP Fc1ccccc1[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCOCC1 ZINC000903090681 922764609 /nfs/dbraw/zinc/76/46/09/922764609.db2.gz FWFJBIOWXDQFRF-OAQYLSRUSA-N 2 1 376.516 3.528 20 0 GHADMP Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792741 923298664 /nfs/dbraw/zinc/29/86/64/923298664.db2.gz IKQCEHHZGAICQX-KRWDZBQOSA-N 2 1 385.939 3.968 20 0 GHADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000369933220 923750882 /nfs/dbraw/zinc/75/08/82/923750882.db2.gz BTKLCMJUSNJICT-PKOBYXMFSA-N 2 1 397.485 3.546 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000678235160 924679456 /nfs/dbraw/zinc/67/94/56/924679456.db2.gz PBZRFVVEGILOOG-NRFANRHFSA-N 2 1 382.504 3.735 20 0 GHADMP Clc1ccccc1Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000678343636 924734752 /nfs/dbraw/zinc/73/47/52/924734752.db2.gz VVOHWJURLFGFGW-WOJBJXKFSA-N 2 1 392.934 3.903 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000678605147 924836967 /nfs/dbraw/zinc/83/69/67/924836967.db2.gz HLTDQXHFELLOHQ-DYXWJJEUSA-N 2 1 390.535 3.614 20 0 GHADMP CN(Cc1cc(Cl)ccc1OC(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000678718763 924893951 /nfs/dbraw/zinc/89/39/51/924893951.db2.gz CAHHPOUXCPESDI-KRWDZBQOSA-N 2 1 387.902 3.542 20 0 GHADMP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678718763 924893958 /nfs/dbraw/zinc/89/39/58/924893958.db2.gz CAHHPOUXCPESDI-KRWDZBQOSA-N 2 1 387.902 3.542 20 0 GHADMP C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678718763 924893967 /nfs/dbraw/zinc/89/39/67/924893967.db2.gz CAHHPOUXCPESDI-KRWDZBQOSA-N 2 1 387.902 3.542 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)o2)cc1C ZINC000371962586 925025951 /nfs/dbraw/zinc/02/59/51/925025951.db2.gz MIAWCJFBFIJENG-FPOVZHCZSA-N 2 1 397.567 3.515 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)o2)cc1C ZINC000371962586 925025959 /nfs/dbraw/zinc/02/59/59/925025959.db2.gz MIAWCJFBFIJENG-FPOVZHCZSA-N 2 1 397.567 3.515 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000410393229 925602056 /nfs/dbraw/zinc/60/20/56/925602056.db2.gz OSIBKOGDNQFWGJ-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP COc1ccccc1-c1noc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000373035178 925825680 /nfs/dbraw/zinc/82/56/80/925825680.db2.gz LICDCMHGMYFZGH-UHFFFAOYSA-N 2 1 384.524 3.801 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682908600 926294255 /nfs/dbraw/zinc/29/42/55/926294255.db2.gz VAKAXWTURKGJFH-DNVCBOLYSA-N 2 1 381.358 3.613 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CCN1C ZINC000411335138 926310470 /nfs/dbraw/zinc/31/04/70/926310470.db2.gz QOCWYANCHFXDTN-UGKGYDQZSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000411335138 926310477 /nfs/dbraw/zinc/31/04/77/926310477.db2.gz QOCWYANCHFXDTN-UGKGYDQZSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000411335138 926310486 /nfs/dbraw/zinc/31/04/86/926310486.db2.gz QOCWYANCHFXDTN-UGKGYDQZSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000411335138 926310494 /nfs/dbraw/zinc/31/04/94/926310494.db2.gz QOCWYANCHFXDTN-UGKGYDQZSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000411335138 926310504 /nfs/dbraw/zinc/31/05/04/926310504.db2.gz QOCWYANCHFXDTN-UGKGYDQZSA-N 2 1 379.548 3.697 20 0 GHADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCN(c2cccnn2)CC1 ZINC000411387528 926358019 /nfs/dbraw/zinc/35/80/19/926358019.db2.gz SBQNVDFTCUHZIX-UHFFFAOYSA-N 2 1 379.552 3.563 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390726197 926397171 /nfs/dbraw/zinc/39/71/71/926397171.db2.gz DREYFWWSRNOAEI-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000411477727 926445485 /nfs/dbraw/zinc/44/54/85/926445485.db2.gz QMKRMAQLSZWWBX-OXJNMPFZSA-N 2 1 397.544 3.993 20 0 GHADMP C[C@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519408 926484695 /nfs/dbraw/zinc/48/46/95/926484695.db2.gz SCWMHMHOTJSXQZ-LEDOBFOHSA-N 2 1 383.580 3.813 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397996675 926486117 /nfs/dbraw/zinc/48/61/17/926486117.db2.gz CGLTYYRFLWJDJC-LXZJYRNTSA-N 2 1 375.557 3.788 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397996675 926486118 /nfs/dbraw/zinc/48/61/18/926486118.db2.gz CGLTYYRFLWJDJC-LXZJYRNTSA-N 2 1 375.557 3.788 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373865288 926506069 /nfs/dbraw/zinc/50/60/69/926506069.db2.gz HSSTVNLBSPRABB-ADHNFCLRSA-N 2 1 383.580 3.668 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000411629321 926584759 /nfs/dbraw/zinc/58/47/59/926584759.db2.gz CHBOHFQIOWUNAS-OAQYLSRUSA-N 2 1 382.552 3.741 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000411629321 926584762 /nfs/dbraw/zinc/58/47/62/926584762.db2.gz CHBOHFQIOWUNAS-OAQYLSRUSA-N 2 1 382.552 3.741 20 0 GHADMP NC(=O)c1cccc(C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)c1 ZINC000411775846 926750393 /nfs/dbraw/zinc/75/03/93/926750393.db2.gz SRPCAYDSEFFMNF-UHFFFAOYSA-N 2 1 377.532 3.936 20 0 GHADMP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000726607282 926760094 /nfs/dbraw/zinc/76/00/94/926760094.db2.gz NVENRUUXPBRZMQ-CAPFRKAQSA-N 2 1 393.531 3.541 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2cc1C(C)C ZINC000749546891 927181921 /nfs/dbraw/zinc/18/19/21/927181921.db2.gz SPSRAVNXBCRBIR-JMUQELJHSA-N 2 1 398.547 3.908 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)c2cc1C(C)C ZINC000749546891 927181932 /nfs/dbraw/zinc/18/19/32/927181932.db2.gz SPSRAVNXBCRBIR-JMUQELJHSA-N 2 1 398.547 3.908 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C(C)C)c1 ZINC000751009889 927979939 /nfs/dbraw/zinc/97/99/39/927979939.db2.gz DRGIGAXDCCBCER-FQEVSTJZSA-N 2 1 376.614 3.855 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000467260693 928883593 /nfs/dbraw/zinc/88/35/93/928883593.db2.gz OGNPFOWXGQODTF-QHCPKHFHSA-N 2 1 394.563 3.545 20 0 GHADMP C[NH+](CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CCCC1 ZINC000544235403 928962593 /nfs/dbraw/zinc/96/25/93/928962593.db2.gz GPUFPOIAYXTPLU-UHFFFAOYSA-N 2 1 379.548 3.923 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000544235403 928962599 /nfs/dbraw/zinc/96/25/99/928962599.db2.gz GPUFPOIAYXTPLU-UHFFFAOYSA-N 2 1 379.548 3.923 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000544235403 928962607 /nfs/dbraw/zinc/96/26/07/928962607.db2.gz GPUFPOIAYXTPLU-UHFFFAOYSA-N 2 1 379.548 3.923 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000467348109 928984499 /nfs/dbraw/zinc/98/44/99/928984499.db2.gz VWBHNMACSFGISL-PTUXOGIPSA-N 2 1 379.548 3.773 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000544593677 929320653 /nfs/dbraw/zinc/32/06/53/929320653.db2.gz AXQBGWMUGIJPSR-UHFFFAOYSA-N 2 1 387.465 3.694 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000467838626 929490880 /nfs/dbraw/zinc/49/08/80/929490880.db2.gz JPBMODXGUWEPLC-KNQAVFIVSA-N 2 1 397.563 3.733 20 0 GHADMP c1cc(C[N@H+]2CCOCC3(CCC3)C2)ccc1C[NH+]1CCOCC2(CCC2)C1 ZINC000544760673 929545111 /nfs/dbraw/zinc/54/51/11/929545111.db2.gz FGLZAJNIAHZCLL-UHFFFAOYSA-N 2 1 384.564 3.692 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[NH+](C)C)cc1 ZINC000469333280 929796144 /nfs/dbraw/zinc/79/61/44/929796144.db2.gz ZXUYKPMOUMOFFR-GOSISDBHSA-N 2 1 399.445 3.546 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000546055012 929810367 /nfs/dbraw/zinc/81/03/67/929810367.db2.gz OIZCBOGSSUNKBE-UHFFFAOYSA-N 3 1 380.580 3.972 20 0 GHADMP CC(C)[NH+](CCCNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000470223126 930464474 /nfs/dbraw/zinc/46/44/74/930464474.db2.gz LKHKDNFDWGYPKM-BGYRXZFFSA-N 2 1 389.584 3.535 20 0 GHADMP CC(C)[NH+](CCCNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000470223126 930464477 /nfs/dbraw/zinc/46/44/77/930464477.db2.gz LKHKDNFDWGYPKM-BGYRXZFFSA-N 2 1 389.584 3.535 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000546847237 930483358 /nfs/dbraw/zinc/48/33/58/930483358.db2.gz XUNAQGKDHPLQHV-KRWDZBQOSA-N 2 1 383.540 3.663 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000470276361 930504090 /nfs/dbraw/zinc/50/40/90/930504090.db2.gz GAKQFKLWXSNAGX-KNQAVFIVSA-N 2 1 388.600 3.515 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470374388 930569591 /nfs/dbraw/zinc/56/95/91/930569591.db2.gz PGGWEOGXFVQBIR-HDICACEKSA-N 2 1 377.532 3.698 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCCO2 ZINC000781923383 931031580 /nfs/dbraw/zinc/03/15/80/931031580.db2.gz NCDRJXLZPMEIJF-XZOQPEGZSA-N 2 1 380.532 3.819 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)[nH+]c1C ZINC000924319074 931322291 /nfs/dbraw/zinc/32/22/91/931322291.db2.gz BSPACOXKBKGCTD-OAQYLSRUSA-N 2 1 380.536 3.612 20 0 GHADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000924930770 931588800 /nfs/dbraw/zinc/58/88/00/931588800.db2.gz YGYCHZZVAWFZEP-NRFANRHFSA-N 2 1 399.535 3.640 20 0 GHADMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000924930770 931588806 /nfs/dbraw/zinc/58/88/06/931588806.db2.gz YGYCHZZVAWFZEP-NRFANRHFSA-N 2 1 399.535 3.640 20 0 GHADMP CC[N@@H+](CCc1cccs1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000558051266 931816760 /nfs/dbraw/zinc/81/67/60/931816760.db2.gz SSQGVQBHMISRPJ-UHFFFAOYSA-N 2 1 385.577 3.525 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cs1 ZINC000925572490 931826706 /nfs/dbraw/zinc/82/67/06/931826706.db2.gz JBPWMQABQYIMTO-SFTDATJTSA-N 3 1 390.641 3.675 20 0 GHADMP Cc1cc(C)cc([C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2cccnc2)c1 ZINC000925655560 931865739 /nfs/dbraw/zinc/86/57/39/931865739.db2.gz WAZHAFHKBUXXJU-XMMPIXPASA-N 2 1 390.531 3.913 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000796944526 932117576 /nfs/dbraw/zinc/11/75/76/932117576.db2.gz XIMMSHFICRCLHL-QHGAOEGBSA-N 2 1 375.557 3.932 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000558831995 932262282 /nfs/dbraw/zinc/26/22/82/932262282.db2.gz SANMXYXUQHXJRT-XMMPIXPASA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)no1 ZINC000926687776 932272816 /nfs/dbraw/zinc/27/28/16/932272816.db2.gz AQCOZTFHVTUFDG-UWJYYQICSA-N 2 1 377.488 3.759 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879952 932335143 /nfs/dbraw/zinc/33/51/43/932335143.db2.gz MZOQXHFSQYDQJS-RFOKVQRGSA-N 2 1 376.488 3.897 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000926927463 932352470 /nfs/dbraw/zinc/35/24/70/932352470.db2.gz RCKGTOLGLUEZPH-ULQDDVLXSA-N 2 1 378.442 3.582 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000926927463 932352476 /nfs/dbraw/zinc/35/24/76/932352476.db2.gz RCKGTOLGLUEZPH-ULQDDVLXSA-N 2 1 378.442 3.582 20 0 GHADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000798406748 932634367 /nfs/dbraw/zinc/63/43/67/932634367.db2.gz WHYPKPGACNJTTJ-AWEZNQCLSA-N 2 1 392.425 3.594 20 0 GHADMP C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498514 932673839 /nfs/dbraw/zinc/67/38/39/932673839.db2.gz VCNQZEXJMKIOIN-QFIPXVFZSA-N 2 1 395.938 3.923 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000559600131 932750146 /nfs/dbraw/zinc/75/01/46/932750146.db2.gz HOOJUEOFAMVCKV-OAQYLSRUSA-N 2 1 393.575 3.708 20 0 GHADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935405 932823561 /nfs/dbraw/zinc/82/35/61/932823561.db2.gz PZNTWXOJKNEHIQ-GBXCKJPGSA-N 2 1 379.548 3.930 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccccc3I)C2)CC1 ZINC000798957332 932840054 /nfs/dbraw/zinc/84/00/54/932840054.db2.gz UDHVFWNLODIXNK-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)n2)cc1 ZINC000799177241 932899016 /nfs/dbraw/zinc/89/90/16/932899016.db2.gz NCYGLGRGUAMRGR-UHFFFAOYSA-N 2 1 398.576 3.865 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)n2)cc1 ZINC000799177241 932899028 /nfs/dbraw/zinc/89/90/28/932899028.db2.gz NCYGLGRGUAMRGR-UHFFFAOYSA-N 2 1 398.576 3.865 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1Cl ZINC000799178435 932900415 /nfs/dbraw/zinc/90/04/15/932900415.db2.gz SHWHBPFSCMXCLX-OAHLLOKOSA-N 2 1 398.378 3.978 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N[C@H](c3cccs3)c3ccccc3)C2)CC1 ZINC000799178515 932901000 /nfs/dbraw/zinc/90/10/00/932901000.db2.gz XXUQOIIJZNHGDL-QFIPXVFZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3cccc(Br)c3)C2)CC1 ZINC000799178232 932901108 /nfs/dbraw/zinc/90/11/08/932901108.db2.gz QDDUOQHYEAXYAD-UHFFFAOYSA-N 2 1 394.357 3.586 20 0 GHADMP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559894653 932927585 /nfs/dbraw/zinc/92/75/85/932927585.db2.gz SSYBIIJRXJSHLV-IRLDBZIGSA-N 2 1 379.548 3.969 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000559905850 932938804 /nfs/dbraw/zinc/93/88/04/932938804.db2.gz OOFBFOCWZMGGGP-UHFFFAOYSA-N 2 1 377.532 3.505 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001115984803 933269849 /nfs/dbraw/zinc/26/98/49/933269849.db2.gz DGWFBOUGUDHCDP-FQEVSTJZSA-N 2 1 394.523 3.526 20 0 GHADMP CCCN1CCCC[C@H]1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001115984803 933269853 /nfs/dbraw/zinc/26/98/53/933269853.db2.gz DGWFBOUGUDHCDP-FQEVSTJZSA-N 2 1 394.523 3.526 20 0 GHADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000560528991 933314209 /nfs/dbraw/zinc/31/42/09/933314209.db2.gz SYNBRQWOXQXJMB-IBGZPJMESA-N 2 1 387.490 3.900 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1F ZINC000560860855 933626900 /nfs/dbraw/zinc/62/69/00/933626900.db2.gz WGDGBDXXEBUBLC-QGZVFWFLSA-N 2 1 389.858 3.503 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1)CC1CC1 ZINC000561043809 933812306 /nfs/dbraw/zinc/81/23/06/933812306.db2.gz AQPFVYVBKMXQBQ-UHFFFAOYSA-N 2 1 384.568 3.698 20 0 GHADMP CCOc1c(Br)cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC ZINC001118243497 934118857 /nfs/dbraw/zinc/11/88/57/934118857.db2.gz SZIUAFFULOPMBR-UHFFFAOYSA-N 2 1 397.357 3.822 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1F ZINC001137676361 935700549 /nfs/dbraw/zinc/70/05/49/935700549.db2.gz SLYVBUIZTBPEMB-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000468490321 1015749903 /nfs/dbraw/zinc/74/99/03/1015749903.db2.gz XBHUJKMIQXKGKD-SFHVURJKSA-N 2 1 397.567 3.848 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000468504451 1015759850 /nfs/dbraw/zinc/75/98/50/1015759850.db2.gz KIBLLJZTGYNZJS-DEOSSOPVSA-N 2 1 391.559 3.953 20 0 GHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468554192 1015801454 /nfs/dbraw/zinc/80/14/54/1015801454.db2.gz NQAPUZLXDNHJTM-DYESRHJHSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468554192 1015801462 /nfs/dbraw/zinc/80/14/62/1015801462.db2.gz NQAPUZLXDNHJTM-DYESRHJHSA-N 2 1 392.465 3.863 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000468580862 1015819589 /nfs/dbraw/zinc/81/95/89/1015819589.db2.gz VRUHRRPTGFGMOX-QFIPXVFZSA-N 2 1 385.596 3.696 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468838213 1016092143 /nfs/dbraw/zinc/09/21/43/1016092143.db2.gz DKPXZWZEXKCIMC-PABCKOPISA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000468838213 1016092151 /nfs/dbraw/zinc/09/21/51/1016092151.db2.gz DKPXZWZEXKCIMC-PABCKOPISA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000468838213 1016092161 /nfs/dbraw/zinc/09/21/61/1016092161.db2.gz DKPXZWZEXKCIMC-PABCKOPISA-N 2 1 383.580 3.905 20 0 GHADMP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(c1ccccc1)c1ccccc1 ZINC001220918657 1032190041 /nfs/dbraw/zinc/19/00/41/1032190041.db2.gz AMWDYADHVSTMHE-QPPBQGQZSA-N 2 1 391.559 3.669 20 0 GHADMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC001220918772 1032190598 /nfs/dbraw/zinc/19/05/98/1032190598.db2.gz GAMNADRPKVLGIH-CXAGYDPISA-N 2 1 384.351 3.907 20 0 GHADMP C[C@@H]1C[C@@H](CNc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)C[NH2+]1 ZINC001155102119 1032416160 /nfs/dbraw/zinc/41/61/60/1032416160.db2.gz UUEHABVAXTUQIK-ARFHVFGLSA-N 2 1 399.608 3.822 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001221445332 1032418815 /nfs/dbraw/zinc/41/88/15/1032418815.db2.gz FYMSEOVYEZPAEI-SFTDATJTSA-N 2 1 392.632 3.793 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC001227458443 1032427622 /nfs/dbraw/zinc/42/76/22/1032427622.db2.gz YVLMOJFFAMIWSQ-ICSRJNTNSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001227458443 1032427629 /nfs/dbraw/zinc/42/76/29/1032427629.db2.gz YVLMOJFFAMIWSQ-ICSRJNTNSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001227458443 1032427635 /nfs/dbraw/zinc/42/76/35/1032427635.db2.gz YVLMOJFFAMIWSQ-ICSRJNTNSA-N 2 1 378.605 3.593 20 0 GHADMP CCN(C)c1cc(C)[nH+]c(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155629972 1032609801 /nfs/dbraw/zinc/60/98/01/1032609801.db2.gz LKLACPGLDLOHCP-GPQLQYNLSA-N 2 1 381.568 3.641 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204160221 1032611872 /nfs/dbraw/zinc/61/18/72/1032611872.db2.gz QQAOGUHEXWRZPF-PMACEKPBSA-N 2 1 382.470 3.886 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204160221 1032611879 /nfs/dbraw/zinc/61/18/79/1032611879.db2.gz QQAOGUHEXWRZPF-PMACEKPBSA-N 2 1 382.470 3.886 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204160221 1032611886 /nfs/dbraw/zinc/61/18/86/1032611886.db2.gz QQAOGUHEXWRZPF-PMACEKPBSA-N 2 1 382.470 3.886 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204160221 1032611892 /nfs/dbraw/zinc/61/18/92/1032611892.db2.gz QQAOGUHEXWRZPF-PMACEKPBSA-N 2 1 382.470 3.886 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204167275 1032619654 /nfs/dbraw/zinc/61/96/54/1032619654.db2.gz ZHDQPHJWNUYULV-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204167275 1032619662 /nfs/dbraw/zinc/61/96/62/1032619662.db2.gz ZHDQPHJWNUYULV-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204167275 1032619666 /nfs/dbraw/zinc/61/96/66/1032619666.db2.gz ZHDQPHJWNUYULV-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCOCC1 ZINC000925837578 1017158570 /nfs/dbraw/zinc/15/85/70/1017158570.db2.gz QYPHFTSGFAVKNA-BJKOFHAPSA-N 2 1 393.575 3.751 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC001204267029 1032708987 /nfs/dbraw/zinc/70/89/87/1032708987.db2.gz CZGDWVZRTRFUIN-ILBGXUMGSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC001204267029 1032709001 /nfs/dbraw/zinc/70/90/01/1032709001.db2.gz CZGDWVZRTRFUIN-ILBGXUMGSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC001204267029 1032709013 /nfs/dbraw/zinc/70/90/13/1032709013.db2.gz CZGDWVZRTRFUIN-ILBGXUMGSA-N 2 1 393.575 3.723 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001227962782 1032718203 /nfs/dbraw/zinc/71/82/03/1032718203.db2.gz QYKFQYQBCNHJCM-NFBKMPQASA-N 2 1 394.563 3.514 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3cccc4ccccc43)CC2)CC1 ZINC000561222228 1017810425 /nfs/dbraw/zinc/81/04/25/1017810425.db2.gz LEDDZCDRMURHDU-UHFFFAOYSA-N 2 1 393.575 3.695 20 0 GHADMP Fc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1Cl ZINC001204283986 1032726571 /nfs/dbraw/zinc/72/65/71/1032726571.db2.gz ZFKKTRDDHHPWPM-WIYYLYMNSA-N 2 1 389.902 3.597 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC001204288369 1032729323 /nfs/dbraw/zinc/72/93/23/1032729323.db2.gz SWMYUTGUINGMHM-CEXWTWQISA-N 2 1 397.604 3.501 20 0 GHADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000931351371 1017962447 /nfs/dbraw/zinc/96/24/47/1017962447.db2.gz JSVHQUMPIBNRMU-OAQYLSRUSA-N 2 1 385.577 3.760 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1C ZINC001204352363 1032789030 /nfs/dbraw/zinc/78/90/30/1032789030.db2.gz HSNSWGQPUWHCRA-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001228120885 1032796191 /nfs/dbraw/zinc/79/61/91/1032796191.db2.gz XMOLPLDNJMHOTB-GOTSBHOMSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001228120885 1032796201 /nfs/dbraw/zinc/79/62/01/1032796201.db2.gz XMOLPLDNJMHOTB-GOTSBHOMSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001228120885 1032796210 /nfs/dbraw/zinc/79/62/10/1032796210.db2.gz XMOLPLDNJMHOTB-GOTSBHOMSA-N 2 1 398.595 3.747 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CC12CCOCC2 ZINC000564971035 1019132303 /nfs/dbraw/zinc/13/23/03/1019132303.db2.gz SBORPKVIFOIJIO-FQEVSTJZSA-N 2 1 384.495 3.592 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000567851594 1019346077 /nfs/dbraw/zinc/34/60/77/1019346077.db2.gz QVGALJGAMYFTBQ-QFIPXVFZSA-N 2 1 377.532 3.723 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000567851594 1019346097 /nfs/dbraw/zinc/34/60/97/1019346097.db2.gz QVGALJGAMYFTBQ-QFIPXVFZSA-N 2 1 377.532 3.723 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CCC2 ZINC001204397318 1032823018 /nfs/dbraw/zinc/82/30/18/1032823018.db2.gz IBORPAMDQBBALK-UHFFFAOYSA-N 2 1 384.568 3.665 20 0 GHADMP Cc1ccc(-c2cccc(C[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)c2)cc1 ZINC000574439469 1019876995 /nfs/dbraw/zinc/87/69/95/1019876995.db2.gz UTCUUPCHOXJCNV-UHFFFAOYSA-N 2 1 391.559 3.648 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000158604786 1019993413 /nfs/dbraw/zinc/99/34/13/1019993413.db2.gz DUQYQSSKGCFPCE-KDURUIRLSA-N 2 1 388.556 3.911 20 0 GHADMP COc1ccc([C@H](C[NH3+])CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000578196784 1020339768 /nfs/dbraw/zinc/33/97/68/1020339768.db2.gz SXARDDRJDHCOHS-WWPVKYPJSA-N 2 1 381.564 3.722 20 0 GHADMP COc1ccc([C@H](C[NH3+])CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000578196781 1020339883 /nfs/dbraw/zinc/33/98/83/1020339883.db2.gz SXARDDRJDHCOHS-PMOQBDJRSA-N 2 1 381.564 3.722 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000632872714 1020917107 /nfs/dbraw/zinc/91/71/07/1020917107.db2.gz AJHLUQMQYSGPQH-DHIUTWEWSA-N 2 1 377.532 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245786187 1021025468 /nfs/dbraw/zinc/02/54/68/1021025468.db2.gz ZNYYSSCNRWNHAH-MXEMCNAFSA-N 2 1 385.552 3.781 20 0 GHADMP c1ccc2c(c1)cccc2-c1nnc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639684650 1021074555 /nfs/dbraw/zinc/07/45/55/1021074555.db2.gz ICWCSNWYYYGRBQ-UHFFFAOYSA-N 2 1 385.471 3.997 20 0 GHADMP c1ccc2c(c1)cccc2-c1nnc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639684650 1021074564 /nfs/dbraw/zinc/07/45/64/1021074564.db2.gz ICWCSNWYYYGRBQ-UHFFFAOYSA-N 2 1 385.471 3.997 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)c(C)o1)CC2 ZINC001204532738 1032955097 /nfs/dbraw/zinc/95/50/97/1032955097.db2.gz CYXMXBYNVITRFJ-OAQYLSRUSA-N 2 1 383.536 3.795 20 0 GHADMP Nc1ncc(-c2ccccc2C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326331 1021407572 /nfs/dbraw/zinc/40/75/72/1021407572.db2.gz MMPFRNRAZMROKT-OFNKIYASSA-N 2 1 399.542 3.680 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326331 1021407578 /nfs/dbraw/zinc/40/75/78/1021407578.db2.gz MMPFRNRAZMROKT-OFNKIYASSA-N 2 1 399.542 3.680 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001140326331 1021407595 /nfs/dbraw/zinc/40/75/95/1021407595.db2.gz MMPFRNRAZMROKT-OFNKIYASSA-N 2 1 399.542 3.680 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC001204593396 1032988347 /nfs/dbraw/zinc/98/83/47/1032988347.db2.gz QWZJWGZHXHSNOV-LPHOPBHVSA-N 2 1 383.374 3.985 20 0 GHADMP Cn1cnc2cc(C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3ccccn3)ccc21 ZINC001140507659 1021893688 /nfs/dbraw/zinc/89/36/88/1021893688.db2.gz NLEKFWUVWXJVNF-UNWVZKJWSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3ccccn3)ccc21 ZINC001140507659 1021893699 /nfs/dbraw/zinc/89/36/99/1021893699.db2.gz NLEKFWUVWXJVNF-UNWVZKJWSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@H+](C)Cc3ccccn3)ccc21 ZINC001140507659 1021893708 /nfs/dbraw/zinc/89/37/08/1021893708.db2.gz NLEKFWUVWXJVNF-UNWVZKJWSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@@H+](C)Cc3ccccn3)ccc21 ZINC001140507659 1021893717 /nfs/dbraw/zinc/89/37/17/1021893717.db2.gz NLEKFWUVWXJVNF-UNWVZKJWSA-N 2 1 389.547 3.701 20 0 GHADMP Fc1cc(F)c(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001140531056 1021927079 /nfs/dbraw/zinc/92/70/79/1021927079.db2.gz BPNWGMIXAXLAIC-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679327309 1021986314 /nfs/dbraw/zinc/98/63/14/1021986314.db2.gz HHAOPEWMOKDEAC-YMPZKCBVSA-N 2 1 382.548 3.543 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000679994784 1022069599 /nfs/dbraw/zinc/06/95/99/1022069599.db2.gz OWNDUPHOBPJWGA-FPOVZHCZSA-N 2 1 395.950 3.994 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001140619197 1022087070 /nfs/dbraw/zinc/08/70/70/1022087070.db2.gz OYQRXOVHDMCTQV-VWLOTQADSA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001140619197 1022087085 /nfs/dbraw/zinc/08/70/85/1022087085.db2.gz OYQRXOVHDMCTQV-VWLOTQADSA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001140619197 1022087100 /nfs/dbraw/zinc/08/71/00/1022087100.db2.gz OYQRXOVHDMCTQV-VWLOTQADSA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001140619197 1022087115 /nfs/dbraw/zinc/08/71/15/1022087115.db2.gz OYQRXOVHDMCTQV-VWLOTQADSA-N 2 1 391.559 3.923 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140629587 1022111093 /nfs/dbraw/zinc/11/10/93/1022111093.db2.gz APJLKKUDKZWBJN-GOSISDBHSA-N 2 1 376.447 3.948 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)F)c(O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140629587 1022111109 /nfs/dbraw/zinc/11/11/09/1022111109.db2.gz APJLKKUDKZWBJN-GOSISDBHSA-N 2 1 376.447 3.948 20 0 GHADMP C[NH+](Cc1ccc(OC(F)F)c(O)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140629587 1022111120 /nfs/dbraw/zinc/11/11/20/1022111120.db2.gz APJLKKUDKZWBJN-GOSISDBHSA-N 2 1 376.447 3.948 20 0 GHADMP C[NH+](Cc1ccc(OC(F)F)c(O)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140629587 1022111139 /nfs/dbraw/zinc/11/11/39/1022111139.db2.gz APJLKKUDKZWBJN-GOSISDBHSA-N 2 1 376.447 3.948 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2cc(Br)ccc2Br)CC1 ZINC001140633622 1022118418 /nfs/dbraw/zinc/11/84/18/1022118418.db2.gz UDKSKJSOUUPLGS-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](C)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001140971214 1023041996 /nfs/dbraw/zinc/04/19/96/1023041996.db2.gz LTLBQVMVQFMTQZ-NBGIEHNGSA-N 2 1 393.575 3.944 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc(O)c4ccccc24)CC3)cn1 ZINC001138057296 1023962401 /nfs/dbraw/zinc/96/24/01/1023962401.db2.gz ABRXLXJSEBXORC-UHFFFAOYSA-N 2 1 390.531 3.910 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc(O)c4ccccc24)CC3)cn1 ZINC001138057296 1023962407 /nfs/dbraw/zinc/96/24/07/1023962407.db2.gz ABRXLXJSEBXORC-UHFFFAOYSA-N 2 1 390.531 3.910 20 0 GHADMP CCc1ccccc1CN1CCC([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001141229186 1024214119 /nfs/dbraw/zinc/21/41/19/1024214119.db2.gz MPQNHIOFCZCUFS-HXUWFJFHSA-N 2 1 387.568 3.812 20 0 GHADMP CCc1ccccc1CN1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001141229186 1024214135 /nfs/dbraw/zinc/21/41/35/1024214135.db2.gz MPQNHIOFCZCUFS-HXUWFJFHSA-N 2 1 387.568 3.812 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@H]21 ZINC001138303329 1024598812 /nfs/dbraw/zinc/59/88/12/1024598812.db2.gz SYZHZGFIABTQGM-JMUQELJHSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4nccnc34)C[C@H]21 ZINC001138303329 1024598827 /nfs/dbraw/zinc/59/88/27/1024598827.db2.gz SYZHZGFIABTQGM-JMUQELJHSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4nccnc34)C[C@H]21 ZINC001138303329 1024598835 /nfs/dbraw/zinc/59/88/35/1024598835.db2.gz SYZHZGFIABTQGM-JMUQELJHSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4nccnc34)C[C@H]21 ZINC001138303329 1024598843 /nfs/dbraw/zinc/59/88/43/1024598843.db2.gz SYZHZGFIABTQGM-JMUQELJHSA-N 2 1 387.531 3.757 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001138549083 1024995978 /nfs/dbraw/zinc/99/59/78/1024995978.db2.gz QMFZNAQBBCSMMK-VQTJNVASSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001138549083 1024995980 /nfs/dbraw/zinc/99/59/80/1024995980.db2.gz QMFZNAQBBCSMMK-VQTJNVASSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)cc1 ZINC001138549145 1024996305 /nfs/dbraw/zinc/99/63/05/1024996305.db2.gz LWOPOQRMQIDTIY-LADGPHEKSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)cc1 ZINC001138549145 1024996306 /nfs/dbraw/zinc/99/63/06/1024996306.db2.gz LWOPOQRMQIDTIY-LADGPHEKSA-N 2 1 388.515 3.518 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1OC(F)F ZINC001138553782 1025009726 /nfs/dbraw/zinc/00/97/26/1025009726.db2.gz VHEXZPVGLZJBQR-UHFFFAOYSA-N 2 1 377.435 3.739 20 0 GHADMP COc1cc(CN2CCC[C@]3(C2)COCC[N@H+](C(C)C)C3)ccc1OC(C)C ZINC001138572532 1025045772 /nfs/dbraw/zinc/04/57/72/1025045772.db2.gz WHNJVBFZDFUWIW-HSZRJFAPSA-N 2 1 390.568 3.805 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC001141505682 1025313778 /nfs/dbraw/zinc/31/37/78/1025313778.db2.gz WWUPRGQPXGTWCA-ZWKOTPCHSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC001141505682 1025313788 /nfs/dbraw/zinc/31/37/88/1025313788.db2.gz WWUPRGQPXGTWCA-ZWKOTPCHSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nn1 ZINC001141505682 1025313797 /nfs/dbraw/zinc/31/37/97/1025313797.db2.gz WWUPRGQPXGTWCA-ZWKOTPCHSA-N 2 1 390.453 3.839 20 0 GHADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138773558 1025345174 /nfs/dbraw/zinc/34/51/74/1025345174.db2.gz HQDDYPPNAHWSTB-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP C[NH+](C)CCOc1ccc(CN(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)cc1 ZINC001138773558 1025345187 /nfs/dbraw/zinc/34/51/87/1025345187.db2.gz HQDDYPPNAHWSTB-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1F)CC2 ZINC001138786964 1025361188 /nfs/dbraw/zinc/36/11/88/1025361188.db2.gz RIPBZBPVNHJTCS-QGZVFWFLSA-N 2 1 375.513 3.538 20 0 GHADMP c1c(C2CC[NH2+]CC2)nn2cc(C[N@H+]3CCCC[C@@H]3c3ccccc3)cnc12 ZINC001205171326 1033283556 /nfs/dbraw/zinc/28/35/56/1033283556.db2.gz NBHGAVWRNNLKQM-JOCHJYFZSA-N 2 1 375.520 3.924 20 0 GHADMP O=C(OCc1ccccc1)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000839037818 1025536389 /nfs/dbraw/zinc/53/63/89/1025536389.db2.gz DMFUWJXGVGJPEY-HSZRJFAPSA-N 2 1 378.516 3.730 20 0 GHADMP CCS(=O)(=O)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000839082093 1025578593 /nfs/dbraw/zinc/57/85/93/1025578593.db2.gz OXTOPIWOCUHPOQ-JOCHJYFZSA-N 2 1 392.609 3.578 20 0 GHADMP CCS(=O)(=O)CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000839082093 1025578598 /nfs/dbraw/zinc/57/85/98/1025578598.db2.gz OXTOPIWOCUHPOQ-JOCHJYFZSA-N 2 1 392.609 3.578 20 0 GHADMP CC[NH+](CC)CCC[NH+]1CCC([C@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000839101027 1025600543 /nfs/dbraw/zinc/60/05/43/1025600543.db2.gz UVZVARPQYZLNDV-WOJBJXKFSA-N 2 1 397.604 3.503 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N[C@H]3C[C@@](C)([NH3+])C3)n2)CCC4)CC1 ZINC001162328871 1025717750 /nfs/dbraw/zinc/71/77/50/1025717750.db2.gz OWWJLOOYCUMKOD-QCKZDCLWSA-N 2 1 385.581 3.704 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccccc2OCC2CC2)[C@@H](c2ccccc2)C1 ZINC001461034593 1069349123 /nfs/dbraw/zinc/34/91/23/1069349123.db2.gz JMYJWIBCIPAWKL-XMMPIXPASA-N 2 1 393.575 3.944 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2C1 ZINC001461037922 1069352817 /nfs/dbraw/zinc/35/28/17/1069352817.db2.gz CRPMXUDJUVSILL-HNNXBMFYSA-N 2 1 391.581 3.615 20 0 GHADMP Cc1cc(N2C[C@@H]([NH3+])Cc3ccccc32)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162841609 1025936283 /nfs/dbraw/zinc/93/62/83/1025936283.db2.gz JHDNDAOQAXSTQX-NRFANRHFSA-N 2 1 384.527 3.970 20 0 GHADMP Cc1cc2ccnc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2[nH]1 ZINC001162927605 1025970296 /nfs/dbraw/zinc/97/02/96/1025970296.db2.gz CRXKXHZAXIYUJI-NRFANRHFSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1cc2cc[nH+]c(NC[C@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2[nH]1 ZINC001162927605 1025970307 /nfs/dbraw/zinc/97/03/07/1025970307.db2.gz CRXKXHZAXIYUJI-NRFANRHFSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1cc2cc[nH+]c(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2[nH]1 ZINC001162927605 1025970310 /nfs/dbraw/zinc/97/03/10/1025970310.db2.gz CRXKXHZAXIYUJI-NRFANRHFSA-N 3 1 389.547 3.785 20 0 GHADMP CC(C)c1ncc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cn1 ZINC001162941747 1025978452 /nfs/dbraw/zinc/97/84/52/1025978452.db2.gz PHKMSWNPDINJTR-HXUWFJFHSA-N 2 1 379.552 3.514 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212544 1026064864 /nfs/dbraw/zinc/06/48/64/1026064864.db2.gz GXZXUZSSKAVDFI-ZWCUEREDSA-N 2 1 393.560 3.819 20 0 GHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000839582273 1026080194 /nfs/dbraw/zinc/08/01/94/1026080194.db2.gz CEVAAECFZRTXAW-SFHVURJKSA-N 2 1 389.540 3.880 20 0 GHADMP FC(F)(F)c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)[nH+]c2c1CCCCC2 ZINC001163276466 1026119592 /nfs/dbraw/zinc/11/95/92/1026119592.db2.gz AXXWVARQARMMIW-IFXJQAMLSA-N 2 1 383.458 3.940 20 0 GHADMP COc1ccc(OC)c(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c1N ZINC001139278461 1026127832 /nfs/dbraw/zinc/12/78/32/1026127832.db2.gz DZYNCTZSRHRORK-UHFFFAOYSA-N 2 1 383.536 3.630 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H](C)C1 ZINC001163369438 1026163405 /nfs/dbraw/zinc/16/34/05/1026163405.db2.gz FJAMWHRLDLBVLC-KBXCAEBGSA-N 2 1 398.929 3.869 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(C(=O)c3ccc(F)cc3)cn2C)CC1 ZINC001139319586 1026178720 /nfs/dbraw/zinc/17/87/20/1026178720.db2.gz BIWQUQFHLVJWEC-UHFFFAOYSA-N 2 1 385.527 3.947 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](c4ccc(Cl)cc4)C3)s2)CC1 ZINC001139322992 1026182719 /nfs/dbraw/zinc/18/27/19/1026182719.db2.gz BQRRTQKCBSGGMK-INIZCTEOSA-N 2 1 376.957 3.538 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](c4ccc(Cl)cc4)C3)s2)CC1 ZINC001139322992 1026182727 /nfs/dbraw/zinc/18/27/27/1026182727.db2.gz BQRRTQKCBSGGMK-INIZCTEOSA-N 2 1 376.957 3.538 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC001139357004 1026229071 /nfs/dbraw/zinc/22/90/71/1026229071.db2.gz WRGHXHSCSBIMLZ-SFHVURJKSA-N 2 1 382.508 3.561 20 0 GHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001139542756 1026404390 /nfs/dbraw/zinc/40/43/90/1026404390.db2.gz PDEXOGPOZCEYOZ-OAHLLOKOSA-N 2 1 376.382 3.938 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001139709709 1026553562 /nfs/dbraw/zinc/55/35/62/1026553562.db2.gz IQSPUEQLKBUBPN-NRFANRHFSA-N 2 1 395.547 3.660 20 0 GHADMP C[NH+](C)C[C@@H]1CCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165078474 1026590488 /nfs/dbraw/zinc/59/04/88/1026590488.db2.gz XWGYCUZVHIPOFI-INIZCTEOSA-N 2 1 399.608 3.696 20 0 GHADMP Brc1ccc2[nH+]ccc(NCC3C[NH+](Cc4ccccc4)C3)c2c1 ZINC001165455190 1026731147 /nfs/dbraw/zinc/73/11/47/1026731147.db2.gz VMOMQYZGPSSGSQ-UHFFFAOYSA-N 2 1 382.305 3.963 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@H](C)O)cc1 ZINC001140023420 1026809152 /nfs/dbraw/zinc/80/91/52/1026809152.db2.gz NYFJLNCRAHYEJM-SFHVURJKSA-N 2 1 379.504 3.615 20 0 GHADMP COc1ccc(CC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C[C@H](C)O)cc1 ZINC001140023420 1026809159 /nfs/dbraw/zinc/80/91/59/1026809159.db2.gz NYFJLNCRAHYEJM-SFHVURJKSA-N 2 1 379.504 3.615 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140025713 1026812849 /nfs/dbraw/zinc/81/28/49/1026812849.db2.gz SFIHUQHAXMIFSJ-VQTJNVASSA-N 2 1 393.560 3.734 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001140025715 1026813293 /nfs/dbraw/zinc/81/32/93/1026813293.db2.gz SFIHUQHAXMIFSJ-WOJBJXKFSA-N 2 1 393.560 3.734 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(CCN(C)C(=O)OC(C)(C)C)C[C@@H]21 ZINC001202994971 1026821149 /nfs/dbraw/zinc/82/11/49/1026821149.db2.gz HBWXSINXBKDMEU-ACRUOGEOSA-N 2 1 387.568 3.964 20 0 GHADMP CC1(C)C[N@@H+](C[C@H](O)c2ccc(F)cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382280 1026962350 /nfs/dbraw/zinc/96/23/50/1026962350.db2.gz IZKDHMALGQHMSY-GOTSBHOMSA-N 2 1 397.538 3.877 20 0 GHADMP Clc1ccc2[nH]c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc2c1 ZINC001209719214 1027116806 /nfs/dbraw/zinc/11/68/06/1027116806.db2.gz JOPFAWDMSKJPSF-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718896 1027116961 /nfs/dbraw/zinc/11/69/61/1027116961.db2.gz RDOLPNFZKRXPKD-NHCUHLMSSA-N 2 1 394.515 3.768 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718896 1027116969 /nfs/dbraw/zinc/11/69/69/1027116969.db2.gz RDOLPNFZKRXPKD-NHCUHLMSSA-N 2 1 394.515 3.768 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718896 1027116978 /nfs/dbraw/zinc/11/69/78/1027116978.db2.gz RDOLPNFZKRXPKD-NHCUHLMSSA-N 2 1 394.515 3.768 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(-c3ccc(C)o3)s2)[C@@H](C)C1 ZINC001461204753 1069441982 /nfs/dbraw/zinc/44/19/82/1069441982.db2.gz DRIMUMMEJYTUAY-MAUKXSAKSA-N 2 1 377.554 3.938 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(-c3ccc(C)o3)s2)[C@@H](C)C1 ZINC001461204753 1069441987 /nfs/dbraw/zinc/44/19/87/1069441987.db2.gz DRIMUMMEJYTUAY-MAUKXSAKSA-N 2 1 377.554 3.938 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC001203292698 1027264201 /nfs/dbraw/zinc/26/42/01/1027264201.db2.gz UQFQPALYDODUMA-QGZVFWFLSA-N 2 1 375.538 3.548 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC001203292698 1027264213 /nfs/dbraw/zinc/26/42/13/1027264213.db2.gz UQFQPALYDODUMA-QGZVFWFLSA-N 2 1 375.538 3.548 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203702003 1027543014 /nfs/dbraw/zinc/54/30/14/1027543014.db2.gz WGULGGZQNQOSCK-HSZRJFAPSA-N 2 1 386.580 3.725 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](Cc2ccccc2C)CC1 ZINC001203704485 1027545106 /nfs/dbraw/zinc/54/51/06/1027545106.db2.gz LTBFGIDUDCMOIB-UHFFFAOYSA-N 2 1 391.559 3.745 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC001210826113 1027665170 /nfs/dbraw/zinc/66/51/70/1027665170.db2.gz FYLFJJFWMALETC-OAQYLSRUSA-N 2 1 388.600 3.707 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141946874 1027727929 /nfs/dbraw/zinc/72/79/29/1027727929.db2.gz GCAIXAVSGIFTMW-UEVCKROQSA-N 2 1 396.579 3.738 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141946874 1027727949 /nfs/dbraw/zinc/72/79/49/1027727949.db2.gz GCAIXAVSGIFTMW-UEVCKROQSA-N 2 1 396.579 3.738 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c[nH]c4ccccc34)O2)CC1 ZINC001204046636 1027836115 /nfs/dbraw/zinc/83/61/15/1027836115.db2.gz ZMQQRSKXGJOZFN-AGILITTLSA-N 2 1 397.563 3.648 20 0 GHADMP CSCc1cnc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)s1 ZINC001204071321 1027850479 /nfs/dbraw/zinc/85/04/79/1027850479.db2.gz AAEBSVFFKARPNE-UHFFFAOYSA-N 2 1 399.589 3.918 20 0 GHADMP C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001211279092 1027884350 /nfs/dbraw/zinc/88/43/50/1027884350.db2.gz ZSTBOHSUSBMCOC-JTDSTZFVSA-N 2 1 380.964 3.505 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921555 1027958504 /nfs/dbraw/zinc/95/85/04/1027958504.db2.gz WHTHYMILGNECRN-QUCCMNQESA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921555 1027958506 /nfs/dbraw/zinc/95/85/06/1027958506.db2.gz WHTHYMILGNECRN-QUCCMNQESA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921555 1027958510 /nfs/dbraw/zinc/95/85/10/1027958510.db2.gz WHTHYMILGNECRN-QUCCMNQESA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921555 1027958520 /nfs/dbraw/zinc/95/85/20/1027958520.db2.gz WHTHYMILGNECRN-QUCCMNQESA-N 2 1 386.536 3.849 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841285654 1028370820 /nfs/dbraw/zinc/37/08/20/1028370820.db2.gz UBNDNVLHCDPOLO-GOSISDBHSA-N 2 1 388.556 3.533 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271930 1028541247 /nfs/dbraw/zinc/54/12/47/1028541247.db2.gz XXNQVXZAMQVURZ-DEOSSOPVSA-N 2 1 378.516 3.946 20 0 GHADMP C[N@H+]1Cc2c(NC(=O)[C@@H]3CC4CC[NH+]3CC4)cccc2[C@H](c2ccccc2)C1 ZINC001142632831 1029185983 /nfs/dbraw/zinc/18/59/83/1029185983.db2.gz IEHCYDIJZHENKY-REWPJTCUSA-N 2 1 375.516 3.687 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3CC4CC[NH+]3CC4)cccc2[C@H](c2ccccc2)C1 ZINC001142632831 1029185984 /nfs/dbraw/zinc/18/59/84/1029185984.db2.gz IEHCYDIJZHENKY-REWPJTCUSA-N 2 1 375.516 3.687 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@@H]21 ZINC001142686894 1029268923 /nfs/dbraw/zinc/26/89/23/1029268923.db2.gz KFOQTOMKHZVQJE-RBDMOPTHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@@H]21 ZINC001142686894 1029268940 /nfs/dbraw/zinc/26/89/40/1029268940.db2.gz KFOQTOMKHZVQJE-RBDMOPTHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4[nH]cnc43)C[C@@H]21 ZINC001142686894 1029268952 /nfs/dbraw/zinc/26/89/52/1029268952.db2.gz KFOQTOMKHZVQJE-RBDMOPTHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4[nH]cnc43)C[C@@H]21 ZINC001142686894 1029268964 /nfs/dbraw/zinc/26/89/64/1029268964.db2.gz KFOQTOMKHZVQJE-RBDMOPTHSA-N 2 1 375.520 3.690 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000842479163 1029315911 /nfs/dbraw/zinc/31/59/11/1029315911.db2.gz OVIYBVIGBYEPQS-FYYLOGMGSA-N 2 1 393.531 3.510 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671848 1029475898 /nfs/dbraw/zinc/47/58/98/1029475898.db2.gz ZHCOOWYAACHIRW-UGKGYDQZSA-N 2 1 396.531 3.524 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671848 1029475906 /nfs/dbraw/zinc/47/59/06/1029475906.db2.gz ZHCOOWYAACHIRW-UGKGYDQZSA-N 2 1 396.531 3.524 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1 ZINC000842677919 1029484279 /nfs/dbraw/zinc/48/42/79/1029484279.db2.gz MHCLJVSLOCJEPV-UAFMIMERSA-N 2 1 379.589 3.732 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cnc4ccc(Cl)nn34)CC2)CC1 ZINC001143000739 1029767328 /nfs/dbraw/zinc/76/73/28/1029767328.db2.gz YRYXAJIHWJBZDP-UHFFFAOYSA-N 2 1 375.948 3.717 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc4nonc42)CC3)c1 ZINC001203129907 1029799396 /nfs/dbraw/zinc/79/93/96/1029799396.db2.gz BFHNFBFVDXWYIX-UHFFFAOYSA-N 2 1 392.503 3.720 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)[NH2+][C@H](C)c1ccccc1 ZINC001221976183 1029914037 /nfs/dbraw/zinc/91/40/37/1029914037.db2.gz REZOYIDFCITZGF-NRSPTQNISA-N 2 1 386.584 3.774 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001222116047 1029970007 /nfs/dbraw/zinc/97/00/07/1029970007.db2.gz YENHRUBAAJLEQX-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001222116047 1029970013 /nfs/dbraw/zinc/97/00/13/1029970013.db2.gz YENHRUBAAJLEQX-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001222116047 1029970017 /nfs/dbraw/zinc/97/00/17/1029970017.db2.gz YENHRUBAAJLEQX-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cn2)c1 ZINC001222168180 1029985567 /nfs/dbraw/zinc/98/55/67/1029985567.db2.gz WQJJUVLIFSMOJS-HSZRJFAPSA-N 2 1 380.536 3.898 20 0 GHADMP COc1cccc(-c2ncc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cn2)c1 ZINC001222168180 1029985569 /nfs/dbraw/zinc/98/55/69/1029985569.db2.gz WQJJUVLIFSMOJS-HSZRJFAPSA-N 2 1 380.536 3.898 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cccc(-c3ccccc3)c1)CC[NH2+]CC2 ZINC001222226371 1030020364 /nfs/dbraw/zinc/02/03/64/1030020364.db2.gz RFPGQAQRTAYYND-QFIPXVFZSA-N 2 1 378.516 3.861 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3cccs3)cc1)CC[NH2+]CC2 ZINC001222226134 1030020923 /nfs/dbraw/zinc/02/09/23/1030020923.db2.gz NKFLMJUZKPZJMH-IBGZPJMESA-N 2 1 384.545 3.922 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(C)cnc1-c1ccccc1)CC[NH2+]CC2 ZINC001222231585 1030024487 /nfs/dbraw/zinc/02/44/87/1030024487.db2.gz NTEPFAHVKJBXGG-OAQYLSRUSA-N 2 1 393.531 3.564 20 0 GHADMP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CCC[C@@]34CCC[NH2+]CC4)cn2)c1 ZINC001222321153 1030069330 /nfs/dbraw/zinc/06/93/30/1030069330.db2.gz RHVFANXOSPPMEG-LJQANCHMSA-N 2 1 378.442 3.999 20 0 GHADMP Clc1ccc(Cl)c(-c2ccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)o2)c1 ZINC001222497574 1030169923 /nfs/dbraw/zinc/16/99/23/1030169923.db2.gz QBIMBCUBSROBLU-ROUUACIJSA-N 2 1 380.319 3.779 20 0 GHADMP c1cc2cccc(C[N@@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)n2n1 ZINC001222584067 1030211463 /nfs/dbraw/zinc/21/14/63/1030211463.db2.gz QNBBPNPOBUUUBM-HSZRJFAPSA-N 2 1 390.531 3.638 20 0 GHADMP c1cc2cccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)n2n1 ZINC001222584067 1030211485 /nfs/dbraw/zinc/21/14/85/1030211485.db2.gz QNBBPNPOBUUUBM-HSZRJFAPSA-N 2 1 390.531 3.638 20 0 GHADMP Clc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609733 1030234021 /nfs/dbraw/zinc/23/40/21/1030234021.db2.gz PWGKKUZEEFOTJX-FQEVSTJZSA-N 2 1 378.907 3.715 20 0 GHADMP Clc1cc(-n2cccn2)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609733 1030234039 /nfs/dbraw/zinc/23/40/39/1030234039.db2.gz PWGKKUZEEFOTJX-FQEVSTJZSA-N 2 1 378.907 3.715 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC001149819999 1030314573 /nfs/dbraw/zinc/31/45/73/1030314573.db2.gz NBTLGPVRDGXFLZ-OAQYLSRUSA-N 2 1 389.559 3.664 20 0 GHADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001223108263 1030447792 /nfs/dbraw/zinc/44/77/92/1030447792.db2.gz VLSDSKQWVOCKDG-JOCHJYFZSA-N 2 1 394.563 3.651 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1Cl ZINC001223445603 1030577449 /nfs/dbraw/zinc/57/74/49/1030577449.db2.gz WZBIFUJWWPAYIP-RZQQEMMASA-N 2 1 392.975 3.647 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CC[NH2+]CC[C@@H]2F)c1-3 ZINC001218020670 1030726754 /nfs/dbraw/zinc/72/67/54/1030726754.db2.gz VFMBBBSANNWIPY-NSHGMRRFSA-N 2 1 382.479 3.613 20 0 GHADMP C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001218028818 1030731519 /nfs/dbraw/zinc/73/15/19/1030731519.db2.gz IRWFBPPDWQVIEM-VMRPVKRXSA-N 2 1 378.516 3.911 20 0 GHADMP CCc1nccn1[C@@H](C)CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360421 1030876658 /nfs/dbraw/zinc/87/66/58/1030876658.db2.gz YNJIMSHXDMCKEW-FPOVZHCZSA-N 2 1 382.552 3.958 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001151360421 1030876674 /nfs/dbraw/zinc/87/66/74/1030876674.db2.gz YNJIMSHXDMCKEW-FPOVZHCZSA-N 2 1 382.552 3.958 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360421 1030876698 /nfs/dbraw/zinc/87/66/98/1030876698.db2.gz YNJIMSHXDMCKEW-FPOVZHCZSA-N 2 1 382.552 3.958 20 0 GHADMP C[C@H](COc1ccccc1)OCCCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218371180 1030912213 /nfs/dbraw/zinc/91/22/13/1030912213.db2.gz HHCJPMZKMJDZOM-HXUWFJFHSA-N 2 1 398.547 3.863 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(O[C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)cc2)CC1 ZINC001218410796 1030927591 /nfs/dbraw/zinc/92/75/91/1030927591.db2.gz NYYSNDVYZZQOCE-JOCHJYFZSA-N 2 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3CC[N@H+](Cc4ccccc4Cl)C3)cc2)CC1 ZINC001218410796 1030927597 /nfs/dbraw/zinc/92/75/97/1030927597.db2.gz NYYSNDVYZZQOCE-JOCHJYFZSA-N 3 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3CC[N@@H+](Cc4ccccc4Cl)C3)cc2)CC1 ZINC001218410796 1030927604 /nfs/dbraw/zinc/92/76/04/1030927604.db2.gz NYYSNDVYZZQOCE-JOCHJYFZSA-N 3 1 399.966 3.916 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccccc1 ZINC001218533573 1030976384 /nfs/dbraw/zinc/97/63/84/1030976384.db2.gz PTFSKSXTJANAAI-LPHOPBHVSA-N 2 1 386.565 3.761 20 0 GHADMP c1ccc(CN2CCO[C@H](COC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224830019 1031140510 /nfs/dbraw/zinc/14/05/10/1031140510.db2.gz LMFBZIHAYOUDJO-RPBOFIJWSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](COC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224830019 1031140518 /nfs/dbraw/zinc/14/05/18/1031140518.db2.gz LMFBZIHAYOUDJO-RPBOFIJWSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](COC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224830019 1031140524 /nfs/dbraw/zinc/14/05/24/1031140524.db2.gz LMFBZIHAYOUDJO-RPBOFIJWSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCO[C@H](COC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224830019 1031140536 /nfs/dbraw/zinc/14/05/36/1031140536.db2.gz LMFBZIHAYOUDJO-RPBOFIJWSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCO[C@H](COC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224830019 1031140544 /nfs/dbraw/zinc/14/05/44/1031140544.db2.gz LMFBZIHAYOUDJO-RPBOFIJWSA-N 2 1 394.559 3.816 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]([NH3+])Cc3ccsc3)cccc2[C@H](c2ccccc2)C1 ZINC001219046651 1031228194 /nfs/dbraw/zinc/22/81/94/1031228194.db2.gz GEBFJSDKLBGMBJ-FPOVZHCZSA-N 2 1 391.540 3.834 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(SC)c1 ZINC001219121535 1031261762 /nfs/dbraw/zinc/26/17/62/1031261762.db2.gz GSPDDIHXKXXMQZ-INIZCTEOSA-N 2 1 399.004 3.942 20 0 GHADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001219644833 1031537140 /nfs/dbraw/zinc/53/71/40/1031537140.db2.gz GUPFJUQLZPZFPE-ZWOKBUDYSA-N 2 1 377.960 3.619 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001220161765 1031809716 /nfs/dbraw/zinc/80/97/16/1031809716.db2.gz FUGXURQOWXXYCM-GIFXNVAJSA-N 2 1 391.559 3.898 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001220161765 1031809736 /nfs/dbraw/zinc/80/97/36/1031809736.db2.gz FUGXURQOWXXYCM-GIFXNVAJSA-N 2 1 391.559 3.898 20 0 GHADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(F)c(OCc3ccccc3)c(Cl)c2)CC1 ZINC001205256539 1033328419 /nfs/dbraw/zinc/32/84/19/1033328419.db2.gz PHKNVJOMOFLIJM-NRFANRHFSA-N 2 1 392.902 3.734 20 0 GHADMP C[C@]1([NH3+])CCC[N@H+](Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC001205281595 1033339871 /nfs/dbraw/zinc/33/98/71/1033339871.db2.gz VPIIFGWQNDKQMN-QFIPXVFZSA-N 2 1 397.544 3.582 20 0 GHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC001205281595 1033339883 /nfs/dbraw/zinc/33/98/83/1033339883.db2.gz VPIIFGWQNDKQMN-QFIPXVFZSA-N 2 1 397.544 3.582 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001205305117 1033349533 /nfs/dbraw/zinc/34/95/33/1033349533.db2.gz RCXAGBCWWGPFPX-FXAWDEMLSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001205305117 1033349549 /nfs/dbraw/zinc/34/95/49/1033349549.db2.gz RCXAGBCWWGPFPX-FXAWDEMLSA-N 2 1 384.520 3.700 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001157074618 1033401547 /nfs/dbraw/zinc/40/15/47/1033401547.db2.gz MTXBJGOZTRMPRK-UHFFFAOYSA-N 2 1 383.515 3.707 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001157074618 1033401559 /nfs/dbraw/zinc/40/15/59/1033401559.db2.gz MTXBJGOZTRMPRK-UHFFFAOYSA-N 2 1 383.515 3.707 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205616754 1033494473 /nfs/dbraw/zinc/49/44/73/1033494473.db2.gz GWFLXUULNPFYOD-RBUKOAKNSA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205616754 1033494480 /nfs/dbraw/zinc/49/44/80/1033494480.db2.gz GWFLXUULNPFYOD-RBUKOAKNSA-N 2 1 386.561 3.635 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205637651 1033505257 /nfs/dbraw/zinc/50/52/57/1033505257.db2.gz ICLKROZCBPWXFS-KGLIPLIRSA-N 2 1 377.916 3.805 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2c(Br)cccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC001205651388 1033511822 /nfs/dbraw/zinc/51/18/22/1033511822.db2.gz DLUDGPRKBBHXHY-VXGBXAGGSA-N 2 1 377.273 3.857 20 0 GHADMP CC(C)Cc1ccc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001205739990 1033553611 /nfs/dbraw/zinc/55/36/11/1033553611.db2.gz ADVRJJNDTJXCFX-UHFFFAOYSA-N 2 1 380.580 3.530 20 0 GHADMP CC1(Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC[NH2+]CC1 ZINC001157402535 1033569263 /nfs/dbraw/zinc/56/92/63/1033569263.db2.gz DBRXWKKGNGHVPI-UHFFFAOYSA-N 2 1 385.581 3.720 20 0 GHADMP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001205902276 1033627020 /nfs/dbraw/zinc/62/70/20/1033627020.db2.gz JMDOEIYYWQOYGX-GGAORHGYSA-N 3 1 392.591 3.568 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(=O)c1cccs1 ZINC001205997066 1033675842 /nfs/dbraw/zinc/67/58/42/1033675842.db2.gz ZIXCMTRTJWSWPN-WBVHZDCISA-N 2 1 388.533 3.783 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc([C@H]3CCC[NH2+]3)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157616801 1033692885 /nfs/dbraw/zinc/69/28/85/1033692885.db2.gz YBJUWUYAOUOIRI-SELNLUPBSA-N 2 1 377.532 3.846 20 0 GHADMP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)s1 ZINC001206158526 1033747033 /nfs/dbraw/zinc/74/70/33/1033747033.db2.gz MRJZXKFAEKRBBW-UNMCSNQZSA-N 2 1 389.609 3.720 20 0 GHADMP Cc1nc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)s1 ZINC001206158526 1033747048 /nfs/dbraw/zinc/74/70/48/1033747048.db2.gz MRJZXKFAEKRBBW-UNMCSNQZSA-N 2 1 389.609 3.720 20 0 GHADMP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)s1 ZINC001206158526 1033747061 /nfs/dbraw/zinc/74/70/61/1033747061.db2.gz MRJZXKFAEKRBBW-UNMCSNQZSA-N 2 1 389.609 3.720 20 0 GHADMP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)s1 ZINC001206158526 1033747074 /nfs/dbraw/zinc/74/70/74/1033747074.db2.gz MRJZXKFAEKRBBW-UNMCSNQZSA-N 2 1 389.609 3.720 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@@H]1F ZINC001206166263 1033749795 /nfs/dbraw/zinc/74/97/95/1033749795.db2.gz RMTPOKIMLKKNAQ-ZWKOTPCHSA-N 2 1 378.289 3.772 20 0 GHADMP C[C@@]1(F)CCCC[N@H+](Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001206406023 1033830797 /nfs/dbraw/zinc/83/07/97/1033830797.db2.gz UMYNBJUKANJGIF-GOSISDBHSA-N 2 1 384.337 3.573 20 0 GHADMP C[C@@]1(F)CCCC[N@@H+](Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001206406023 1033830816 /nfs/dbraw/zinc/83/08/16/1033830816.db2.gz UMYNBJUKANJGIF-GOSISDBHSA-N 2 1 384.337 3.573 20 0 GHADMP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c(OC)cc1Br ZINC001206590449 1033918301 /nfs/dbraw/zinc/91/83/01/1033918301.db2.gz MDEMTGBNQLLZKI-OAHLLOKOSA-N 2 1 385.346 3.819 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206716543 1033955511 /nfs/dbraw/zinc/95/55/11/1033955511.db2.gz DHTACQZEKGHECD-XMMPIXPASA-N 2 1 396.531 3.571 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206716543 1033955514 /nfs/dbraw/zinc/95/55/14/1033955514.db2.gz DHTACQZEKGHECD-XMMPIXPASA-N 2 1 396.531 3.571 20 0 GHADMP COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206754584 1033969327 /nfs/dbraw/zinc/96/93/27/1033969327.db2.gz JFPNAJWOIJTLDA-UHFFFAOYSA-N 2 1 383.540 3.739 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cnc(Cl)cc2Br)CC1 ZINC001206755844 1033970292 /nfs/dbraw/zinc/97/02/92/1033970292.db2.gz SJIATOXIYUOOEN-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c(F)cncc4F)CC3)C2)cc1 ZINC001206859251 1034039529 /nfs/dbraw/zinc/03/95/29/1034039529.db2.gz XJESUZSQFCNOQM-UHFFFAOYSA-N 2 1 387.474 3.535 20 0 GHADMP C[N@H+]1CCN(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)C2(CCCC2)C1 ZINC001158408164 1034063176 /nfs/dbraw/zinc/06/31/76/1034063176.db2.gz ADNCOKSSZCYTHM-UHFFFAOYSA-N 2 1 376.548 3.705 20 0 GHADMP C[NH+]1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C2(CCCC2)C1 ZINC001158408164 1034063188 /nfs/dbraw/zinc/06/31/88/1034063188.db2.gz ADNCOKSSZCYTHM-UHFFFAOYSA-N 2 1 376.548 3.705 20 0 GHADMP C[NH+]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)C2(CCCC2)C1 ZINC001158408164 1034063201 /nfs/dbraw/zinc/06/32/01/1034063201.db2.gz ADNCOKSSZCYTHM-UHFFFAOYSA-N 2 1 376.548 3.705 20 0 GHADMP CC(C)n1nccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001207172151 1034142846 /nfs/dbraw/zinc/14/28/46/1034142846.db2.gz YYLAHDBRJPVLSC-LJQANCHMSA-N 2 1 388.581 3.781 20 0 GHADMP c1ccc(COCC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001207233839 1034198966 /nfs/dbraw/zinc/19/89/66/1034198966.db2.gz NEPZGNSNAANATE-RPBOFIJWSA-N 2 1 398.591 3.664 20 0 GHADMP c1ccc(COCC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001207233839 1034198969 /nfs/dbraw/zinc/19/89/69/1034198969.db2.gz NEPZGNSNAANATE-RPBOFIJWSA-N 2 1 398.591 3.664 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@](C)(C[NH3+])C3)c2c1C ZINC001158683877 1034229177 /nfs/dbraw/zinc/22/91/77/1034229177.db2.gz LEELRTCEHQPKQF-NRFANRHFSA-N 2 1 387.597 3.859 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCC[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288899 1034238676 /nfs/dbraw/zinc/23/86/76/1034238676.db2.gz DUCOTGHOGGLYLJ-VXKWHMMOSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289844 1034241063 /nfs/dbraw/zinc/24/10/63/1034241063.db2.gz XHGRCYWCRIWSPP-XMMPIXPASA-N 2 1 399.579 3.984 20 0 GHADMP CCOC[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2cn(CC)nc21 ZINC001207290567 1034242025 /nfs/dbraw/zinc/24/20/25/1034242025.db2.gz DEKIIJBVMPDQPQ-HSZRJFAPSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207290858 1034242843 /nfs/dbraw/zinc/24/28/43/1034242843.db2.gz IFUKXDRXQJGSLZ-NRFANRHFSA-N 2 1 387.568 3.745 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC001207353802 1034298569 /nfs/dbraw/zinc/29/85/69/1034298569.db2.gz HUOBALWWUITINT-MOPGFXCFSA-N 2 1 376.541 3.540 20 0 GHADMP C[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccs2)CC1 ZINC001207399775 1034341904 /nfs/dbraw/zinc/34/19/04/1034341904.db2.gz SCDZEHBTGWGGBS-KRWDZBQOSA-N 2 1 379.570 3.684 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cccs2)CC1 ZINC001207399775 1034341920 /nfs/dbraw/zinc/34/19/20/1034341920.db2.gz SCDZEHBTGWGGBS-KRWDZBQOSA-N 2 1 379.570 3.684 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC001461896741 1069853090 /nfs/dbraw/zinc/85/30/90/1069853090.db2.gz KGKOOYHLEIHCQU-LJQANCHMSA-N 2 1 375.557 3.752 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC001461896741 1069853108 /nfs/dbraw/zinc/85/31/08/1069853108.db2.gz KGKOOYHLEIHCQU-LJQANCHMSA-N 2 1 375.557 3.752 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001207482037 1034391555 /nfs/dbraw/zinc/39/15/55/1034391555.db2.gz RBJQSBCGODKNEW-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001207482083 1034392079 /nfs/dbraw/zinc/39/20/79/1034392079.db2.gz SZGVCGAKFPVHRQ-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCCc3ccccc3)C[C@@H]2CC(C)C)CC[N@H+]1C ZINC001159207317 1034482042 /nfs/dbraw/zinc/48/20/42/1034482042.db2.gz CAPIVNWIYYWRBT-KMDXXIMOSA-N 2 1 399.623 3.908 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)CC[NH+]1C ZINC001159207317 1034482047 /nfs/dbraw/zinc/48/20/47/1034482047.db2.gz CAPIVNWIYYWRBT-KMDXXIMOSA-N 2 1 399.623 3.908 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@@H]2CC(C)C)CC[NH+]1C ZINC001159207317 1034482054 /nfs/dbraw/zinc/48/20/54/1034482054.db2.gz CAPIVNWIYYWRBT-KMDXXIMOSA-N 2 1 399.623 3.908 20 0 GHADMP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(CC[NH+]3CCOCC3)c2)C1 ZINC001159388630 1034574672 /nfs/dbraw/zinc/57/46/72/1034574672.db2.gz IUSPRRYGFQBEDM-SESVDKBCSA-N 2 1 394.563 3.931 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1C ZINC001231483731 1034627909 /nfs/dbraw/zinc/62/79/09/1034627909.db2.gz PTZMZGJEIVGYMB-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1C ZINC001231483731 1034627917 /nfs/dbraw/zinc/62/79/17/1034627917.db2.gz PTZMZGJEIVGYMB-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1C ZINC001231483731 1034627920 /nfs/dbraw/zinc/62/79/20/1034627920.db2.gz PTZMZGJEIVGYMB-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP CCc1nc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc(C)[nH+]1 ZINC001159520612 1034636626 /nfs/dbraw/zinc/63/66/26/1034636626.db2.gz QMEPZQPDLLIHQR-QFIPXVFZSA-N 2 1 390.531 3.823 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]2C1 ZINC001231508702 1034656751 /nfs/dbraw/zinc/65/67/51/1034656751.db2.gz NNOUXUXGGUNOSD-DNQXCXABSA-N 2 1 380.532 3.523 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]2C1 ZINC001231508702 1034656762 /nfs/dbraw/zinc/65/67/62/1034656762.db2.gz NNOUXUXGGUNOSD-DNQXCXABSA-N 2 1 380.532 3.523 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]2C1 ZINC001231508702 1034656770 /nfs/dbraw/zinc/65/67/70/1034656770.db2.gz NNOUXUXGGUNOSD-DNQXCXABSA-N 2 1 380.532 3.523 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(Nc2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC001159553895 1034661556 /nfs/dbraw/zinc/66/15/56/1034661556.db2.gz TZTFWGMJWHQXQO-UHFFFAOYSA-N 2 1 376.508 3.603 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516417 1034666349 /nfs/dbraw/zinc/66/63/49/1034666349.db2.gz IOHRNNORBUEORX-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP Cc1ccc(CCC[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)o1 ZINC001207943612 1034673218 /nfs/dbraw/zinc/67/32/18/1034673218.db2.gz IOYAUPKHAZLSJN-NRFANRHFSA-N 2 1 383.536 3.671 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)Nc3cc[nH+]c(N(C)C)c3)cc2)CC1 ZINC001208175433 1034774857 /nfs/dbraw/zinc/77/48/57/1034774857.db2.gz WWOIOSLNLMNDGR-UHFFFAOYSA-N 2 1 381.524 3.701 20 0 GHADMP Fc1ccc(OCC2CC[NH2+]CC2)c(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001159889604 1034776805 /nfs/dbraw/zinc/77/68/05/1034776805.db2.gz KSDRHVGFZWSVLV-UHFFFAOYSA-N 2 1 399.510 3.780 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001208190651 1034786973 /nfs/dbraw/zinc/78/69/73/1034786973.db2.gz HUKYBKWBJUTOEF-DEOSSOPVSA-N 2 1 383.580 3.755 20 0 GHADMP [NH3+]C1CCN(c2ccc(F)cc2NC2=CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001160079930 1034851799 /nfs/dbraw/zinc/85/17/99/1034851799.db2.gz RJUYSGREISZUCT-UHFFFAOYSA-N 2 1 380.511 3.955 20 0 GHADMP Fc1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1OC1CC[NH2+]CC1 ZINC001160174475 1034888861 /nfs/dbraw/zinc/88/88/61/1034888861.db2.gz XFMQRLOXKKGGOW-UHFFFAOYSA-N 2 1 385.483 3.532 20 0 GHADMP Cc1ccccc1-c1ccccc1C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001231809236 1034922727 /nfs/dbraw/zinc/92/27/27/1034922727.db2.gz JQACGYURJPPIHW-UHFFFAOYSA-N 2 1 391.559 3.824 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001208596525 1034949909 /nfs/dbraw/zinc/94/99/09/1034949909.db2.gz RLZKABLSSWTJTB-HXUWFJFHSA-N 3 1 391.625 3.535 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCN(Cc3csc(C)n3)c3nc(C)ccc3C2)CC1 ZINC001208596104 1034950491 /nfs/dbraw/zinc/95/04/91/1034950491.db2.gz BPFGSFFNQMJCIH-UHFFFAOYSA-N 2 1 399.608 3.709 20 0 GHADMP CC(C)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001231875076 1034960070 /nfs/dbraw/zinc/96/00/70/1034960070.db2.gz DFEZHALAYIGODY-ISKFKSNPSA-N 2 1 385.596 3.571 20 0 GHADMP CC(C)c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001231875076 1034960075 /nfs/dbraw/zinc/96/00/75/1034960075.db2.gz DFEZHALAYIGODY-ISKFKSNPSA-N 2 1 385.596 3.571 20 0 GHADMP CC(C)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001231875076 1034960080 /nfs/dbraw/zinc/96/00/80/1034960080.db2.gz DFEZHALAYIGODY-ISKFKSNPSA-N 2 1 385.596 3.571 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001160450436 1034977870 /nfs/dbraw/zinc/97/78/70/1034977870.db2.gz KMUQIKJTYSAYPO-NJDAHSKKSA-N 2 1 397.588 3.564 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001160450436 1034977876 /nfs/dbraw/zinc/97/78/76/1034977876.db2.gz KMUQIKJTYSAYPO-NJDAHSKKSA-N 2 1 397.588 3.564 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001160450436 1034977887 /nfs/dbraw/zinc/97/78/87/1034977887.db2.gz KMUQIKJTYSAYPO-NJDAHSKKSA-N 2 1 397.588 3.564 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001160450437 1034978189 /nfs/dbraw/zinc/97/81/89/1034978189.db2.gz KMUQIKJTYSAYPO-PWRODBHTSA-N 2 1 397.588 3.564 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001160450437 1034978196 /nfs/dbraw/zinc/97/81/96/1034978196.db2.gz KMUQIKJTYSAYPO-PWRODBHTSA-N 2 1 397.588 3.564 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001160450437 1034978199 /nfs/dbraw/zinc/97/81/99/1034978199.db2.gz KMUQIKJTYSAYPO-PWRODBHTSA-N 2 1 397.588 3.564 20 0 GHADMP CC(=O)N1CCC(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001208677908 1034978857 /nfs/dbraw/zinc/97/88/57/1034978857.db2.gz PBNHZFLBYOSAOH-ILWGZMRPSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001208677908 1034978862 /nfs/dbraw/zinc/97/88/62/1034978862.db2.gz PBNHZFLBYOSAOH-ILWGZMRPSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001208677908 1034978864 /nfs/dbraw/zinc/97/88/64/1034978864.db2.gz PBNHZFLBYOSAOH-ILWGZMRPSA-N 2 1 389.609 3.539 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCOCCOCc4ccccc4)C[C@H]3C2)cc1 ZINC001208742373 1034994086 /nfs/dbraw/zinc/99/40/86/1034994086.db2.gz BEEAOWSZWNKKPH-DQEYMECFSA-N 2 1 394.559 3.592 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)nc(C)c1)CC2 ZINC001231997704 1035032035 /nfs/dbraw/zinc/03/20/35/1035032035.db2.gz FHEXAPDTSLZDCP-QHCPKHFHSA-N 2 1 394.563 3.597 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc5ncccc5[nH]4)CC3)C2)cc1 ZINC001232063652 1035073376 /nfs/dbraw/zinc/07/33/76/1035073376.db2.gz FAVWVICJXIHTKK-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)[nH]1 ZINC001232074763 1035079872 /nfs/dbraw/zinc/07/98/72/1035079872.db2.gz FKBCYDFPUHZELR-UHFFFAOYSA-N 2 1 395.547 3.988 20 0 GHADMP CN1c2ccccc2[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC001208933056 1035097249 /nfs/dbraw/zinc/09/72/49/1035097249.db2.gz CJXQHBKHPLHPRP-SQJMNOBHSA-N 2 1 389.543 3.519 20 0 GHADMP CN1c2ccccc2[C@]2(CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC001208933056 1035097258 /nfs/dbraw/zinc/09/72/58/1035097258.db2.gz CJXQHBKHPLHPRP-SQJMNOBHSA-N 2 1 389.543 3.519 20 0 GHADMP CN1c2ccccc2[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC001208933056 1035097265 /nfs/dbraw/zinc/09/72/65/1035097265.db2.gz CJXQHBKHPLHPRP-SQJMNOBHSA-N 2 1 389.543 3.519 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)C2)cc1 ZINC001208934816 1035100871 /nfs/dbraw/zinc/10/08/71/1035100871.db2.gz HELCDSSMUQRVKE-JOCHJYFZSA-N 2 1 396.579 3.563 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)C2)cc1 ZINC001208934816 1035100874 /nfs/dbraw/zinc/10/08/74/1035100874.db2.gz HELCDSSMUQRVKE-JOCHJYFZSA-N 2 1 396.579 3.563 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)CCCCCCC[NH3+])cc1 ZINC001160955579 1035104452 /nfs/dbraw/zinc/10/44/52/1035104452.db2.gz CEYYLJPDLCAGPF-NRFANRHFSA-N 2 1 389.584 3.807 20 0 GHADMP CC1(C(=O)N2CCCC2)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208939911 1035108165 /nfs/dbraw/zinc/10/81/65/1035108165.db2.gz LEWNLJSPGMNJEL-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208941571 1035109160 /nfs/dbraw/zinc/10/91/60/1035109160.db2.gz LXTNWIXOBIOWCY-VSKRKVRLSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208941571 1035109163 /nfs/dbraw/zinc/10/91/63/1035109163.db2.gz LXTNWIXOBIOWCY-VSKRKVRLSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208941571 1035109166 /nfs/dbraw/zinc/10/91/66/1035109166.db2.gz LXTNWIXOBIOWCY-VSKRKVRLSA-N 2 1 399.579 3.982 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001160986597 1035112633 /nfs/dbraw/zinc/11/26/33/1035112633.db2.gz NCFLTHVEBUDTHM-JOCHJYFZSA-N 2 1 397.538 3.839 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945072 1035114776 /nfs/dbraw/zinc/11/47/76/1035114776.db2.gz YMPHRLDRKQGXEP-YZUZCNPQSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208945072 1035114788 /nfs/dbraw/zinc/11/47/88/1035114788.db2.gz YMPHRLDRKQGXEP-YZUZCNPQSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208945072 1035114790 /nfs/dbraw/zinc/11/47/90/1035114790.db2.gz YMPHRLDRKQGXEP-YZUZCNPQSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208945124 1035114973 /nfs/dbraw/zinc/11/49/73/1035114973.db2.gz YUIVCTSTRYNCPR-QHAWAJNXSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208945124 1035114977 /nfs/dbraw/zinc/11/49/77/1035114977.db2.gz YUIVCTSTRYNCPR-QHAWAJNXSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208945124 1035114983 /nfs/dbraw/zinc/11/49/83/1035114983.db2.gz YUIVCTSTRYNCPR-QHAWAJNXSA-N 2 1 385.552 3.592 20 0 GHADMP COC(=O)C[C@H](C)[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208958088 1035128848 /nfs/dbraw/zinc/12/88/48/1035128848.db2.gz OAMXWDTWEVOABE-REWPJTCUSA-N 2 1 380.532 3.962 20 0 GHADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208958088 1035128864 /nfs/dbraw/zinc/12/88/64/1035128864.db2.gz OAMXWDTWEVOABE-REWPJTCUSA-N 2 1 380.532 3.962 20 0 GHADMP COC(=O)C[C@H](C)[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208958088 1035128872 /nfs/dbraw/zinc/12/88/72/1035128872.db2.gz OAMXWDTWEVOABE-REWPJTCUSA-N 2 1 380.532 3.962 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208963528 1035133300 /nfs/dbraw/zinc/13/33/00/1035133300.db2.gz OOUUOSKTNFTKTF-DNQXCXABSA-N 2 1 392.543 3.964 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208963528 1035133307 /nfs/dbraw/zinc/13/33/07/1035133307.db2.gz OOUUOSKTNFTKTF-DNQXCXABSA-N 2 1 392.543 3.964 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208963528 1035133313 /nfs/dbraw/zinc/13/33/13/1035133313.db2.gz OOUUOSKTNFTKTF-DNQXCXABSA-N 2 1 392.543 3.964 20 0 GHADMP Cn1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C2CC2)n1 ZINC001232169793 1035142617 /nfs/dbraw/zinc/14/26/17/1035142617.db2.gz SXOBUCHPHKZBGJ-UHFFFAOYSA-N 2 1 379.552 3.569 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(CCc4c(Cl)cccc4Cl)C[C@@H]3C2)cn1 ZINC001209107251 1035175835 /nfs/dbraw/zinc/17/58/35/1035175835.db2.gz FZQVWDXNHYTBMO-SJORKVTESA-N 2 1 393.362 3.723 20 0 GHADMP C[C@H]1[C@H](CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232013 1035186753 /nfs/dbraw/zinc/18/67/53/1035186753.db2.gz WYAINZVDKWQZAB-IHFIDZABSA-N 2 1 391.559 3.695 20 0 GHADMP CC(C)n1nc(CN(C)C)c2c1C[N@@H+](CCc1cc(F)c(F)cc1F)CC2 ZINC001209249363 1035220272 /nfs/dbraw/zinc/22/02/72/1035220272.db2.gz RUQJPKGGFOHONU-UHFFFAOYSA-N 2 1 380.458 3.544 20 0 GHADMP CC(C)n1nc(CN(C)C)c2c1CN(CCc1cc(F)c(F)cc1F)CC2 ZINC001209249363 1035220273 /nfs/dbraw/zinc/22/02/73/1035220273.db2.gz RUQJPKGGFOHONU-UHFFFAOYSA-N 2 1 380.458 3.544 20 0 GHADMP Cc1ccc(-c2ccccc2C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)c1 ZINC001461955181 1069912783 /nfs/dbraw/zinc/91/27/83/1069912783.db2.gz ICSBGLYAJPHOTD-UHFFFAOYSA-N 2 1 391.559 3.710 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451075 1035277337 /nfs/dbraw/zinc/27/73/37/1035277337.db2.gz ZKUQILURBFGHTF-NQIIRXRSSA-N 2 1 383.552 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451075 1035277340 /nfs/dbraw/zinc/27/73/40/1035277340.db2.gz ZKUQILURBFGHTF-NQIIRXRSSA-N 2 1 383.552 3.533 20 0 GHADMP COc1ccc(C(=O)CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)cc1 ZINC001161802562 1035304959 /nfs/dbraw/zinc/30/49/59/1035304959.db2.gz CRMZUJWPXDNVIA-SFHVURJKSA-N 2 1 378.476 3.654 20 0 GHADMP Cn1nc2ccccc2c1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209531368 1035305885 /nfs/dbraw/zinc/30/58/85/1035305885.db2.gz GOUXDTPCDOWEOE-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)nc1 ZINC001241783132 1035699857 /nfs/dbraw/zinc/69/98/57/1035699857.db2.gz WWGWJIMBHMTMQS-HSZRJFAPSA-N 2 1 394.563 3.977 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248785324 1036146572 /nfs/dbraw/zinc/14/65/72/1036146572.db2.gz WDVMCFDRAWMACS-SZPZYZBQSA-N 2 1 399.579 3.753 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248785324 1036146584 /nfs/dbraw/zinc/14/65/84/1036146584.db2.gz WDVMCFDRAWMACS-SZPZYZBQSA-N 2 1 399.579 3.753 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248785324 1036146591 /nfs/dbraw/zinc/14/65/91/1036146591.db2.gz WDVMCFDRAWMACS-SZPZYZBQSA-N 2 1 399.579 3.753 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248785324 1036146600 /nfs/dbraw/zinc/14/66/00/1036146600.db2.gz WDVMCFDRAWMACS-SZPZYZBQSA-N 2 1 399.579 3.753 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2ccc(Br)cc2Cl)no1 ZINC001248896259 1036227467 /nfs/dbraw/zinc/22/74/67/1036227467.db2.gz NNIAVSJUDBNNHX-CYBMUJFWSA-N 2 1 385.693 3.542 20 0 GHADMP COc1c(OCc2ccccc2)cccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001244995735 1036725319 /nfs/dbraw/zinc/72/53/19/1036725319.db2.gz KHAJDGRWCFVLRZ-UHFFFAOYSA-N 2 1 375.472 3.746 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2c2cc(F)c(F)c(F)c2)CC1(C)C ZINC001462148076 1070034367 /nfs/dbraw/zinc/03/43/67/1070034367.db2.gz MUXPVXJITZETJN-VQIMIIECSA-N 2 1 383.502 3.746 20 0 GHADMP CC(C)[N@@H+](C[C@H](O)COCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001246019613 1037138002 /nfs/dbraw/zinc/13/80/02/1037138002.db2.gz GMKLFOKNPKVPTO-CVEARBPZSA-N 2 1 389.367 3.723 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246020505 1037138866 /nfs/dbraw/zinc/13/88/66/1037138866.db2.gz CFZWMCNAEKNUEN-MHECFPHRSA-N 2 1 393.531 3.526 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246038023 1037154724 /nfs/dbraw/zinc/15/47/24/1037154724.db2.gz UHMCIFCDPXNZLC-BUZMGHMJSA-N 2 1 388.596 3.659 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001246046005 1037159507 /nfs/dbraw/zinc/15/95/07/1037159507.db2.gz XYHSZLRTTKVCTI-SLFFLAALSA-N 2 1 380.866 3.686 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001246046005 1037159516 /nfs/dbraw/zinc/15/95/16/1037159516.db2.gz XYHSZLRTTKVCTI-SLFFLAALSA-N 2 1 380.866 3.686 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068971 1037182735 /nfs/dbraw/zinc/18/27/35/1037182735.db2.gz VGCLIIZBCWQQHZ-YPAWHYETSA-N 2 1 386.511 3.646 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123872 1037203552 /nfs/dbraw/zinc/20/35/52/1037203552.db2.gz VCSCLKABWKIUNH-REWPJTCUSA-N 3 1 395.566 3.848 20 0 GHADMP [NH3+][C@H]1C[C@@H](N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189597 1037230440 /nfs/dbraw/zinc/23/04/40/1037230440.db2.gz OEGATVRUVRQQOK-UBCNIHEASA-N 3 1 375.560 3.831 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[NH2+]C3(CCCCC3)C2)c2ccccc12 ZINC001246196053 1037232994 /nfs/dbraw/zinc/23/29/94/1037232994.db2.gz DQLGDTSQDGSYJR-AZUAARDMSA-N 2 1 383.536 3.702 20 0 GHADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246202230 1037234857 /nfs/dbraw/zinc/23/48/57/1037234857.db2.gz SQWGSALKFHUWKK-SXSPYAJSSA-N 2 1 380.532 3.728 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn(C2CCC3(CC[NH2+]CC3)CC2)c2ccccc12 ZINC001246247786 1037251927 /nfs/dbraw/zinc/25/19/27/1037251927.db2.gz YOKJEPWWOHVFJZ-JOCHJYFZSA-N 2 1 383.536 3.559 20 0 GHADMP COCC[N@@H+](Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)[C@@H]1CC[C@@H](C)C1 ZINC001462176197 1070054140 /nfs/dbraw/zinc/05/41/40/1070054140.db2.gz MKGMQNZLGSGZCI-RHSMWYFYSA-N 2 1 384.467 3.707 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[NH2+]1 ZINC001246278222 1037273157 /nfs/dbraw/zinc/27/31/57/1037273157.db2.gz LGBWLHWWFQZKCR-UNMCSNQZSA-N 2 1 395.522 3.886 20 0 GHADMP [NH3+][C@@H](Cc1cn([C@H]2CCC[NH2+]CC2)c2ccccc12)C(=O)OCc1ccccc1 ZINC001246311143 1037290144 /nfs/dbraw/zinc/29/01/44/1037290144.db2.gz KILPNXSUCSMGID-UNMCSNQZSA-N 2 1 391.515 3.569 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2C[NH2+]CCC2(C)C)CC1 ZINC001246334049 1037300282 /nfs/dbraw/zinc/30/02/82/1037300282.db2.gz XLNYDXADRLERKJ-IDYZSHNDSA-N 2 1 378.944 3.671 20 0 GHADMP Clc1ccc(C2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC[NH2+]CC2)cc1 ZINC001246344120 1037306480 /nfs/dbraw/zinc/30/64/80/1037306480.db2.gz XCTAMMAONODIMF-FQEVSTJZSA-N 3 1 375.988 3.958 20 0 GHADMP Clc1ccc(C2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]CC2)cc1 ZINC001246344120 1037306504 /nfs/dbraw/zinc/30/65/04/1037306504.db2.gz XCTAMMAONODIMF-FQEVSTJZSA-N 3 1 375.988 3.958 20 0 GHADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1 ZINC001246371055 1037328539 /nfs/dbraw/zinc/32/85/39/1037328539.db2.gz UNJPEDQAIWHSIY-BDTNDASRSA-N 2 1 383.511 3.742 20 0 GHADMP COc1ccc(CC2(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246389665 1037349824 /nfs/dbraw/zinc/34/98/24/1037349824.db2.gz QJOJTCUNFFYLIV-VWNXMTODSA-N 3 1 393.575 3.690 20 0 GHADMP Fc1cccc(C2(C[NH2+]C3CCN(CCc4ccccc4)CC3)CC[NH2+]CC2)c1 ZINC001246392592 1037352474 /nfs/dbraw/zinc/35/24/74/1037352474.db2.gz ZHVCVWLXMWEXFN-UHFFFAOYSA-N 2 1 395.566 3.744 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246420499 1037376559 /nfs/dbraw/zinc/37/65/59/1037376559.db2.gz IRUDVRLOLKWSRB-OFNKIYASSA-N 3 1 396.554 3.524 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1)C(=O)OCc1ccccc1 ZINC001246485377 1037433428 /nfs/dbraw/zinc/43/34/28/1037433428.db2.gz KJFLIEHELFAVIB-ZRBLBEILSA-N 2 1 396.531 3.737 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)CC[NH2+]1 ZINC001246500917 1037443966 /nfs/dbraw/zinc/44/39/66/1037443966.db2.gz QIJTUUXIDMRSEP-SQNIBIBYSA-N 2 1 397.357 3.954 20 0 GHADMP [NH3+]C12CC(N[C@@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)(C1)C2 ZINC001246505205 1037446006 /nfs/dbraw/zinc/44/60/06/1037446006.db2.gz RIKLWEMEZPPYAY-UAJYDWGMSA-N 2 1 387.571 3.975 20 0 GHADMP COc1cccc([C@@H](C[NH3+])N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001246509933 1037449702 /nfs/dbraw/zinc/44/97/02/1037449702.db2.gz KRGHLQJHCXNDNO-PIATZUFCSA-N 2 1 379.548 3.870 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CCC[NH2+]CC2)CC1 ZINC001246529240 1037464529 /nfs/dbraw/zinc/46/45/29/1037464529.db2.gz RJYSRBPUTMVXEA-UHFFFAOYSA-N 2 1 397.357 3.503 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246535118 1037465802 /nfs/dbraw/zinc/46/58/02/1037465802.db2.gz VXGBYMGJUWFIFC-CTUHWIOQSA-N 2 1 381.539 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246535118 1037465830 /nfs/dbraw/zinc/46/58/30/1037465830.db2.gz VXGBYMGJUWFIFC-CTUHWIOQSA-N 2 1 381.539 3.695 20 0 GHADMP C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246595359 1037492606 /nfs/dbraw/zinc/49/26/06/1037492606.db2.gz NCYGJVGPTKUXJA-NOZRDPDXSA-N 2 1 377.576 3.946 20 0 GHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246595359 1037492625 /nfs/dbraw/zinc/49/26/25/1037492625.db2.gz NCYGJVGPTKUXJA-NOZRDPDXSA-N 2 1 377.576 3.946 20 0 GHADMP C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246595363 1037496419 /nfs/dbraw/zinc/49/64/19/1037496419.db2.gz NCYGJVGPTKUXJA-ZCYQVOJMSA-N 2 1 377.576 3.946 20 0 GHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246595363 1037496442 /nfs/dbraw/zinc/49/64/42/1037496442.db2.gz NCYGJVGPTKUXJA-ZCYQVOJMSA-N 2 1 377.576 3.946 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H](C)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC001246604936 1037504284 /nfs/dbraw/zinc/50/42/84/1037504284.db2.gz SDVVZYQUNSKWCU-YJBOKZPZSA-N 2 1 398.469 3.644 20 0 GHADMP CCOC(=O)CC[C@@H](C)[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617822 1037506551 /nfs/dbraw/zinc/50/65/51/1037506551.db2.gz GWUWRWKVRWLAOV-CTNGQTDRSA-N 2 1 388.552 3.522 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3cc(F)ccc3C1)CC2 ZINC001246642356 1037523652 /nfs/dbraw/zinc/52/36/52/1037523652.db2.gz VWIZRTREVYLKLE-NRFANRHFSA-N 2 1 380.507 3.829 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246664441 1037534988 /nfs/dbraw/zinc/53/49/88/1037534988.db2.gz XJRTXOFINAXXMK-VSYWRSJOSA-N 2 1 379.548 3.672 20 0 GHADMP c1ccc(N2CCC([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673096 1037541292 /nfs/dbraw/zinc/54/12/92/1037541292.db2.gz OAXZKDILSZZFAH-RDGATRHJSA-N 2 1 375.560 3.909 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@H](CC)[NH2+]1 ZINC001246705817 1037558522 /nfs/dbraw/zinc/55/85/22/1037558522.db2.gz BCNHWSQZVACSEE-MDPIYQRISA-N 2 1 389.609 3.985 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C2C[C@@H](C)[NH2+][C@H](C)C2)CC3)c1 ZINC001246712156 1037564335 /nfs/dbraw/zinc/56/43/35/1037564335.db2.gz FFZGVIJTNJILSD-WOJBJXKFSA-N 3 1 385.596 3.902 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CC[NH+](Cc4cccc(OC)c4)CC3)CC2)CC[NH2+]1 ZINC001246713920 1037564984 /nfs/dbraw/zinc/56/49/84/1037564984.db2.gz KXDCVGZUABOTDS-FGZHOGPDSA-N 3 1 385.596 3.904 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@H]2CCC[C@]4(CC[NH2+]C4)C2)CCO3)c1 ZINC001246721753 1037572382 /nfs/dbraw/zinc/57/23/82/1037572382.db2.gz RGQGZZVMNDJVAQ-HJOGWXRNSA-N 2 1 383.580 3.589 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CC[NH2+]1 ZINC001246724191 1037574663 /nfs/dbraw/zinc/57/46/63/1037574663.db2.gz USEGMPSFMHIKSI-SRUXOGRHSA-N 2 1 375.601 3.943 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)N1c1ccccc1 ZINC001246729332 1037577036 /nfs/dbraw/zinc/57/70/36/1037577036.db2.gz NUXBHELVOFKXEZ-IQFVJIFQSA-N 2 1 389.543 3.620 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246730594 1037580012 /nfs/dbraw/zinc/58/00/12/1037580012.db2.gz UHEIICUYWYEBBP-JTOYRKQZSA-N 2 1 383.580 3.729 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CC[NH2+]2)cc1 ZINC001246738005 1037581260 /nfs/dbraw/zinc/58/12/60/1037581260.db2.gz CQKGBBKDXLPQTG-GOTSBHOMSA-N 2 1 398.554 3.908 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnc2c(C(=O)OC)cccc12 ZINC001462198379 1070075928 /nfs/dbraw/zinc/07/59/28/1070075928.db2.gz DSBJBFLPBHBAQF-UHFFFAOYSA-N 2 1 380.492 3.693 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnc2c(C(=O)OC)cccc12 ZINC001462198379 1070075948 /nfs/dbraw/zinc/07/59/48/1070075948.db2.gz DSBJBFLPBHBAQF-UHFFFAOYSA-N 2 1 380.492 3.693 20 0 GHADMP CC[C@@H]1C[C@H](N2CCC3(CC2)CN(Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755697 1037595381 /nfs/dbraw/zinc/59/53/81/1037595381.db2.gz IYGUHMOKCQVLRP-JKHIJQBDSA-N 3 1 385.596 3.663 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766913 1037610891 /nfs/dbraw/zinc/61/08/91/1037610891.db2.gz OVIZDUFSCBTNLV-NTQRXFJSSA-N 2 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766913 1037610895 /nfs/dbraw/zinc/61/08/95/1037610895.db2.gz OVIZDUFSCBTNLV-NTQRXFJSSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766913 1037610896 /nfs/dbraw/zinc/61/08/96/1037610896.db2.gz OVIZDUFSCBTNLV-NTQRXFJSSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766913 1037610902 /nfs/dbraw/zinc/61/09/02/1037610902.db2.gz OVIZDUFSCBTNLV-NTQRXFJSSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766913 1037610911 /nfs/dbraw/zinc/61/09/11/1037610911.db2.gz OVIZDUFSCBTNLV-NTQRXFJSSA-N 3 1 384.612 3.923 20 0 GHADMP Brc1ccc(C2CCC([N@H+](C3COC3)C3CC[NH2+]CC3)CC2)cc1 ZINC001246844147 1037671166 /nfs/dbraw/zinc/67/11/66/1037671166.db2.gz HAFKTJDIGSZBLS-UHFFFAOYSA-N 2 1 393.369 3.928 20 0 GHADMP Brc1ccc(C2CCC([N@@H+](C3COC3)C3CC[NH2+]CC3)CC2)cc1 ZINC001246844147 1037671176 /nfs/dbraw/zinc/67/11/76/1037671176.db2.gz HAFKTJDIGSZBLS-UHFFFAOYSA-N 2 1 393.369 3.928 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246846412 1037672066 /nfs/dbraw/zinc/67/20/66/1037672066.db2.gz GXVMFMKIVGGXJO-CWBXHPNXSA-N 2 1 377.532 3.603 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246846412 1037672078 /nfs/dbraw/zinc/67/20/78/1037672078.db2.gz GXVMFMKIVGGXJO-CWBXHPNXSA-N 2 1 377.532 3.603 20 0 GHADMP Cc1cccc(N2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853305 1037676979 /nfs/dbraw/zinc/67/69/79/1037676979.db2.gz UUGGUPWBKWPICW-RBBKRZOGSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)n1 ZINC001246853305 1037676985 /nfs/dbraw/zinc/67/69/85/1037676985.db2.gz UUGGUPWBKWPICW-RBBKRZOGSA-N 2 1 382.527 3.843 20 0 GHADMP COC(=O)C1C[C@@H]2CC([N@@H+](C)Cc3ccc(Oc4ccccc4)cc3)C[C@H](C1)[NH2+]2 ZINC001246855241 1037677682 /nfs/dbraw/zinc/67/76/82/1037677682.db2.gz XCOHMJAUXKZRGS-JWEZTNTCSA-N 2 1 394.515 3.983 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246870389 1037686423 /nfs/dbraw/zinc/68/64/23/1037686423.db2.gz AMIZKNUFKGVGGX-PNCHPQGNSA-N 2 1 382.935 3.679 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C1)C2 ZINC001246872058 1037688472 /nfs/dbraw/zinc/68/84/72/1037688472.db2.gz FKQGPLRINPLSTH-IRXCRNFVSA-N 2 1 396.575 3.894 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C1)C2 ZINC001246882153 1037696494 /nfs/dbraw/zinc/69/64/94/1037696494.db2.gz XBOWYRHMFVZVRS-FAYOUJPWSA-N 2 1 382.548 3.504 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)C[C@H](CC)[NH2+]1 ZINC001246915126 1037724097 /nfs/dbraw/zinc/72/40/97/1037724097.db2.gz VFCXXVPTSMOZSY-ZSHCYNCHSA-N 2 1 398.020 3.673 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N4C[C@@H]5C[NH2+][C@@H]5C4)C[C@@H]23)cc1 ZINC001246928481 1037732044 /nfs/dbraw/zinc/73/20/44/1037732044.db2.gz ACYKXOBBBVIVMU-YVSOFHLNSA-N 2 1 387.571 3.655 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246929705 1037733362 /nfs/dbraw/zinc/73/33/62/1037733362.db2.gz GHXWOAZIYPUWMY-SMIHKQSGSA-N 2 1 391.559 3.820 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246940475 1037744950 /nfs/dbraw/zinc/74/49/50/1037744950.db2.gz FDRUEUXNPNGANC-TZIWHRDSSA-N 2 1 376.516 3.749 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246955588 1037764831 /nfs/dbraw/zinc/76/48/31/1037764831.db2.gz LJACTTDIVYKFEM-PXNSSMCTSA-N 2 1 376.516 3.810 20 0 GHADMP CC1(C)C[C@@H](N(Cc2ccncc2)[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246957730 1037770866 /nfs/dbraw/zinc/77/08/66/1037770866.db2.gz CLZWLHOENAGINL-GOTSBHOMSA-N 2 1 378.564 3.689 20 0 GHADMP CC1(C)C[C@H](N(Cc2ccncc2)[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246957738 1037772485 /nfs/dbraw/zinc/77/24/85/1037772485.db2.gz CLZWLHOENAGINL-PKTZIBPZSA-N 2 1 378.564 3.689 20 0 GHADMP Fc1ccc(CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1F ZINC001246958587 1037775273 /nfs/dbraw/zinc/77/52/73/1037775273.db2.gz TWXWIWIRMWFSSQ-OAQYLSRUSA-N 2 1 385.502 3.793 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969391 1037792939 /nfs/dbraw/zinc/79/29/39/1037792939.db2.gz KSLUOIXJVJATJM-KFWWJZLASA-N 2 1 386.462 3.505 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969391 1037792957 /nfs/dbraw/zinc/79/29/57/1037792957.db2.gz KSLUOIXJVJATJM-KFWWJZLASA-N 2 1 386.462 3.505 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH+]3CCC(Oc4ncnc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246976913 1037803150 /nfs/dbraw/zinc/80/31/50/1037803150.db2.gz WSHGVBKTBIACRH-XXBNENTESA-N 2 1 388.515 3.966 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC[NH2+]1 ZINC001246988022 1037812383 /nfs/dbraw/zinc/81/23/83/1037812383.db2.gz WHGVGGNYGIQERD-IFMALSPDSA-N 2 1 379.552 3.576 20 0 GHADMP Brc1ccc(C2=CC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)CC2)cc1 ZINC001246995103 1037820777 /nfs/dbraw/zinc/82/07/77/1037820777.db2.gz APVUQCBPSGJCQC-UHFFFAOYSA-N 2 1 391.353 3.839 20 0 GHADMP Fc1ccc2c(c1)nc(-c1ccc(C[NH+]3CCOCC3)cc1)n2C1CC[NH2+]CC1 ZINC001247026024 1037846350 /nfs/dbraw/zinc/84/63/50/1037846350.db2.gz IIUDALIFXPFHEX-UHFFFAOYSA-N 2 1 394.494 3.599 20 0 GHADMP Cc1ccc2c(c1)nc(-c1cccc(C[NH+]3CCOCC3)c1)n2C1CC[NH2+]CC1 ZINC001247039510 1037862348 /nfs/dbraw/zinc/86/23/48/1037862348.db2.gz VHXNRVADISUWHT-UHFFFAOYSA-N 2 1 390.531 3.768 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001462228409 1070101226 /nfs/dbraw/zinc/10/12/26/1070101226.db2.gz XDLSRAOOXJJXSS-IMSXRSKXSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001462228409 1070101232 /nfs/dbraw/zinc/10/12/32/1070101232.db2.gz XDLSRAOOXJJXSS-IMSXRSKXSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001462228409 1070101237 /nfs/dbraw/zinc/10/12/37/1070101237.db2.gz XDLSRAOOXJJXSS-IMSXRSKXSA-N 2 1 399.579 3.888 20 0 GHADMP Fc1cc(-c2noc([C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247893662 1038465367 /nfs/dbraw/zinc/46/53/67/1038465367.db2.gz PIHZQGBZBVWHKA-GNUPYSACSA-N 2 1 393.466 3.711 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC001252697390 1039085370 /nfs/dbraw/zinc/08/53/70/1039085370.db2.gz ZGXNURAXSZROTB-KNQAVFIVSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC001252697390 1039085388 /nfs/dbraw/zinc/08/53/88/1039085388.db2.gz ZGXNURAXSZROTB-KNQAVFIVSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC001252697390 1039085405 /nfs/dbraw/zinc/08/54/05/1039085405.db2.gz ZGXNURAXSZROTB-KNQAVFIVSA-N 2 1 390.616 3.689 20 0 GHADMP OCCCCCC[N@H+](Cc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252934255 1039273529 /nfs/dbraw/zinc/27/35/29/1039273529.db2.gz QWOFRNWWPPKWFI-RUZDIDTESA-N 2 1 396.575 3.678 20 0 GHADMP OCCCCCC[N@@H+](Cc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252934255 1039273544 /nfs/dbraw/zinc/27/35/44/1039273544.db2.gz QWOFRNWWPPKWFI-RUZDIDTESA-N 2 1 396.575 3.678 20 0 GHADMP OCCCCCC[NH+](Cc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252934255 1039273551 /nfs/dbraw/zinc/27/35/51/1039273551.db2.gz QWOFRNWWPPKWFI-RUZDIDTESA-N 2 1 396.575 3.678 20 0 GHADMP OCCCCCC[NH+](Cc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252934255 1039273562 /nfs/dbraw/zinc/27/35/62/1039273562.db2.gz QWOFRNWWPPKWFI-RUZDIDTESA-N 2 1 396.575 3.678 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001253023063 1039356359 /nfs/dbraw/zinc/35/63/59/1039356359.db2.gz UAKPHAFKENGJDC-CTNGQTDRSA-N 2 1 377.573 3.542 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc3c(Br)cccn23)CC1 ZINC001233471539 1039361346 /nfs/dbraw/zinc/36/13/46/1039361346.db2.gz JJZHKPWQEAFAKW-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP Brc1sccc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001233480416 1039374821 /nfs/dbraw/zinc/37/48/21/1039374821.db2.gz NUHCWSXZJVBBAA-WBVHZDCISA-N 2 1 392.366 3.860 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@](C)(O)c3ccccc3)C[C@@H]21 ZINC001253101925 1039424302 /nfs/dbraw/zinc/42/43/02/1039424302.db2.gz VZTIJJUHCSLNPP-OYYPCOLYSA-N 2 1 379.548 3.522 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@](C)(O)c3ccccc3)C[C@@H]21 ZINC001253101925 1039424342 /nfs/dbraw/zinc/42/43/42/1039424342.db2.gz VZTIJJUHCSLNPP-OYYPCOLYSA-N 2 1 379.548 3.522 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@](C)(O)c3ccccc3)C[C@@H]21 ZINC001253101925 1039424351 /nfs/dbraw/zinc/42/43/51/1039424351.db2.gz VZTIJJUHCSLNPP-OYYPCOLYSA-N 2 1 379.548 3.522 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@](C)(O)c3ccccc3)C[C@@H]21 ZINC001253101925 1039424356 /nfs/dbraw/zinc/42/43/56/1039424356.db2.gz VZTIJJUHCSLNPP-OYYPCOLYSA-N 2 1 379.548 3.522 20 0 GHADMP O[C@@H](CCOCc1ccccc1)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001253288465 1039535873 /nfs/dbraw/zinc/53/58/73/1039535873.db2.gz XIWWHULVFAATEO-NDBXHCKUSA-N 2 1 394.559 3.739 20 0 GHADMP Cc1cc(N2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)c2ccccc2[nH+]1 ZINC001253349949 1039562092 /nfs/dbraw/zinc/56/20/92/1039562092.db2.gz HOZMTDTXLMQUTC-QFIPXVFZSA-N 2 1 383.442 3.677 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001253838573 1039847202 /nfs/dbraw/zinc/84/72/02/1039847202.db2.gz GALGTUBPVFTDFR-KAOXLYBCSA-N 2 1 380.532 3.520 20 0 GHADMP OC1(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038636 1039969101 /nfs/dbraw/zinc/96/91/01/1039969101.db2.gz LNAKKEFVJWPMFY-JOCHJYFZSA-N 2 1 397.588 3.665 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C2CCc4ccccc4CC2)CC3)cn1 ZINC001254459102 1040245243 /nfs/dbraw/zinc/24/52/43/1040245243.db2.gz DXZYNFALXHEIAD-UHFFFAOYSA-N 2 1 378.564 3.798 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C2CCc4ccccc4CC2)CC3)cn1 ZINC001254459102 1040245258 /nfs/dbraw/zinc/24/52/58/1040245258.db2.gz DXZYNFALXHEIAD-UHFFFAOYSA-N 2 1 378.564 3.798 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC001254510326 1040288216 /nfs/dbraw/zinc/28/82/16/1040288216.db2.gz MJWARJSSDOPIOS-HXUWFJFHSA-N 3 1 394.401 3.735 20 0 GHADMP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC001254510326 1040288234 /nfs/dbraw/zinc/28/82/34/1040288234.db2.gz MJWARJSSDOPIOS-HXUWFJFHSA-N 2 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC001254510326 1040288252 /nfs/dbraw/zinc/28/82/52/1040288252.db2.gz MJWARJSSDOPIOS-HXUWFJFHSA-N 2 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]C2(Cc3ccc(Br)cc3)CCOCC2)CC1 ZINC001254513012 1040289918 /nfs/dbraw/zinc/28/99/18/1040289918.db2.gz VANRJMSYARVNFC-GOSISDBHSA-N 2 1 381.358 3.615 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC001254511264 1040291035 /nfs/dbraw/zinc/29/10/35/1040291035.db2.gz XWMGNPQLLCZZTO-SFHVURJKSA-N 2 1 381.358 3.571 20 0 GHADMP COc1cccc(C2([NH3+])CC[NH+](C3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC001254618538 1040389757 /nfs/dbraw/zinc/38/97/57/1040389757.db2.gz CRAOAKHCUUZMBT-UHFFFAOYSA-N 2 1 383.511 3.753 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)s1 ZINC001234991417 1040485314 /nfs/dbraw/zinc/48/53/14/1040485314.db2.gz FRGPNZJKZPEXGY-IBGZPJMESA-N 2 1 377.941 3.951 20 0 GHADMP Clc1ncc(COc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)s1 ZINC001234991417 1040485322 /nfs/dbraw/zinc/48/53/22/1040485322.db2.gz FRGPNZJKZPEXGY-IBGZPJMESA-N 2 1 377.941 3.951 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001235034484 1040527087 /nfs/dbraw/zinc/52/70/87/1040527087.db2.gz ZKEXKFALUYLGHL-LJQANCHMSA-N 2 1 377.410 3.833 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC001235034484 1040527104 /nfs/dbraw/zinc/52/71/04/1040527104.db2.gz ZKEXKFALUYLGHL-LJQANCHMSA-N 2 1 377.410 3.833 20 0 GHADMP FC(F)Oc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1OC(F)F ZINC001235047292 1040540412 /nfs/dbraw/zinc/54/04/12/1040540412.db2.gz UZOGIPGMGDFKIK-GOSISDBHSA-N 2 1 376.394 3.998 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)cc1OC(F)F ZINC001235047292 1040540418 /nfs/dbraw/zinc/54/04/18/1040540418.db2.gz UZOGIPGMGDFKIK-GOSISDBHSA-N 2 1 376.394 3.998 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)s2)c1 ZINC001235063601 1040553085 /nfs/dbraw/zinc/55/30/85/1040553085.db2.gz UGNDRGKDKCCJJX-SFHVURJKSA-N 2 1 381.467 3.571 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)s2)c1 ZINC001235063601 1040553100 /nfs/dbraw/zinc/55/31/00/1040553100.db2.gz UGNDRGKDKCCJJX-SFHVURJKSA-N 2 1 381.467 3.571 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235134271 1040627908 /nfs/dbraw/zinc/62/79/08/1040627908.db2.gz YPEGBCQUGNQVSS-UHFFFAOYSA-N 2 1 382.346 3.597 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc(Br)c1O ZINC001235152187 1040646125 /nfs/dbraw/zinc/64/61/25/1040646125.db2.gz DKSRZZAKICAPID-KRWDZBQOSA-N 2 1 397.357 3.908 20 0 GHADMP Brc1ccc2[nH]c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235158029 1040651683 /nfs/dbraw/zinc/65/16/83/1040651683.db2.gz TYEKUHBFPGVTKK-KRWDZBQOSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235158029 1040651701 /nfs/dbraw/zinc/65/17/01/1040651701.db2.gz TYEKUHBFPGVTKK-KRWDZBQOSA-N 2 1 377.330 3.680 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)C[C@@H]2C1 ZINC001254910710 1040661784 /nfs/dbraw/zinc/66/17/84/1040661784.db2.gz KUVBCUJQLLITST-PLACYPQZSA-N 2 1 391.600 3.972 20 0 GHADMP FC(F)Oc1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1OC(F)F ZINC001235189517 1040680310 /nfs/dbraw/zinc/68/03/10/1040680310.db2.gz KXCRIQMJVUBEQR-UHFFFAOYSA-N 2 1 376.394 3.998 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1OC(F)F ZINC001235189517 1040680319 /nfs/dbraw/zinc/68/03/19/1040680319.db2.gz KXCRIQMJVUBEQR-UHFFFAOYSA-N 2 1 376.394 3.998 20 0 GHADMP COc1c(Br)cc(F)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235239383 1040720234 /nfs/dbraw/zinc/72/02/34/1040720234.db2.gz VMASOLMWANXLLL-QGZVFWFLSA-N 2 1 385.321 3.951 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022232 1040734432 /nfs/dbraw/zinc/73/44/32/1040734432.db2.gz FBCZDKJMWVMANT-DEOSSOPVSA-N 2 1 376.544 3.909 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117889 1040803879 /nfs/dbraw/zinc/80/38/79/1040803879.db2.gz XDQSTFKFGRZGHK-RPBOFIJWSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117889 1040803899 /nfs/dbraw/zinc/80/38/99/1040803899.db2.gz XDQSTFKFGRZGHK-RPBOFIJWSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117889 1040803914 /nfs/dbraw/zinc/80/39/14/1040803914.db2.gz XDQSTFKFGRZGHK-RPBOFIJWSA-N 2 1 375.560 3.859 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@H](C4C[NH2+]C4)C3)n2)cc1 ZINC001235341521 1040811582 /nfs/dbraw/zinc/81/15/82/1040811582.db2.gz PYDDRMYPTDMWCE-HNNXBMFYSA-N 2 1 377.410 3.689 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC001255125248 1040818400 /nfs/dbraw/zinc/81/84/00/1040818400.db2.gz UQWPSNXBQXQCHC-NEWJYFPISA-N 2 1 389.543 3.573 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2(Cc4ccncc4)CCOCC2)C3)cc1 ZINC001255130282 1040825442 /nfs/dbraw/zinc/82/54/42/1040825442.db2.gz CCJSUZQFEAQDLC-BKFWDETESA-N 2 1 391.559 3.959 20 0 GHADMP O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255132628 1040829370 /nfs/dbraw/zinc/82/93/70/1040829370.db2.gz VDHYEFKGJWBBSV-JLLPCOHGSA-N 2 1 389.543 3.686 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@@H+](Cc2ccccc2Oc2cnccn2)C3)cc1 ZINC001235357495 1040835566 /nfs/dbraw/zinc/83/55/66/1040835566.db2.gz BUTBRBDOEUPBRL-ZJSXRUAMSA-N 2 1 386.499 3.848 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](Cc2ccccc2Oc2cnccn2)C3)cc1 ZINC001235357495 1040835589 /nfs/dbraw/zinc/83/55/89/1040835589.db2.gz BUTBRBDOEUPBRL-ZJSXRUAMSA-N 2 1 386.499 3.848 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137312 1040840540 /nfs/dbraw/zinc/84/05/40/1040840540.db2.gz WGLLAEMEIYYOGS-DKUWSORSSA-N 2 1 378.516 3.801 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)CC1 ZINC001235364091 1040851183 /nfs/dbraw/zinc/85/11/83/1040851183.db2.gz KYLZIRRJZRROEI-QVHJCDIPSA-N 2 1 384.564 3.609 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255144185 1040853355 /nfs/dbraw/zinc/85/33/55/1040853355.db2.gz MUKJSKFJSOSSSN-NDBXHCKUSA-N 2 1 397.607 3.757 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255144185 1040853363 /nfs/dbraw/zinc/85/33/63/1040853363.db2.gz MUKJSKFJSOSSSN-NDBXHCKUSA-N 2 1 397.607 3.757 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255144185 1040853380 /nfs/dbraw/zinc/85/33/80/1040853380.db2.gz MUKJSKFJSOSSSN-NDBXHCKUSA-N 2 1 397.607 3.757 20 0 GHADMP CCC[N@H+](C1CCN(C(C)=O)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255148299 1040864641 /nfs/dbraw/zinc/86/46/41/1040864641.db2.gz UESKNZJVAJEHKV-UBRQYEGLSA-N 2 1 383.580 3.905 20 0 GHADMP CCC[N@@H+](C1CCN(C(C)=O)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255148299 1040864657 /nfs/dbraw/zinc/86/46/57/1040864657.db2.gz UESKNZJVAJEHKV-UBRQYEGLSA-N 2 1 383.580 3.905 20 0 GHADMP CCC[NH+](C1CCN(C(C)=O)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148299 1040864665 /nfs/dbraw/zinc/86/46/65/1040864665.db2.gz UESKNZJVAJEHKV-UBRQYEGLSA-N 2 1 383.580 3.905 20 0 GHADMP CCC[NH+](C1CCN(C(C)=O)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148299 1040864680 /nfs/dbraw/zinc/86/46/80/1040864680.db2.gz UESKNZJVAJEHKV-UBRQYEGLSA-N 2 1 383.580 3.905 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255149728 1040867979 /nfs/dbraw/zinc/86/79/79/1040867979.db2.gz IUGLZEKLQHTZDT-JKHIJQBDSA-N 2 1 398.595 3.698 20 0 GHADMP Nc1cccc(C[NH+]2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255150582 1040868454 /nfs/dbraw/zinc/86/84/54/1040868454.db2.gz WSELFBJRDJHXHW-QEIWAGNOSA-N 2 1 390.575 3.582 20 0 GHADMP Cn1c2ccccc2c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1-c1ccccc1 ZINC001235370680 1040872805 /nfs/dbraw/zinc/87/28/05/1040872805.db2.gz VXCZEHPBZGNBDE-UMEGOILYSA-N 2 1 387.527 3.798 20 0 GHADMP Brc1ccc2sc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)cc2c1 ZINC001235371202 1040872920 /nfs/dbraw/zinc/87/29/20/1040872920.db2.gz YDTPLPHPPOPXOR-JCKWVBRZSA-N 2 1 393.350 3.617 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC001255151318 1040875307 /nfs/dbraw/zinc/87/53/07/1040875307.db2.gz WSHPGHNWJIUVNU-NUNAXRQHSA-N 2 1 391.563 3.539 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001255186397 1040892273 /nfs/dbraw/zinc/89/22/73/1040892273.db2.gz UJNOOCBDZWIGQO-NDYOWHOSSA-N 2 1 385.552 3.781 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001255186397 1040892285 /nfs/dbraw/zinc/89/22/85/1040892285.db2.gz UJNOOCBDZWIGQO-NDYOWHOSSA-N 2 1 385.552 3.781 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379319 1040899548 /nfs/dbraw/zinc/89/95/48/1040899548.db2.gz NYPRBYPURZBCSY-GPXOXTDOSA-N 2 1 375.560 3.588 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428143 1040929753 /nfs/dbraw/zinc/92/97/53/1040929753.db2.gz PACUPKKDSOSQMH-CVEARBPZSA-N 2 1 398.332 3.811 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255399813 1040985740 /nfs/dbraw/zinc/98/57/40/1040985740.db2.gz ZYXAVKVUFOJMDH-MYGLTJDJSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255399813 1040985748 /nfs/dbraw/zinc/98/57/48/1040985748.db2.gz ZYXAVKVUFOJMDH-MYGLTJDJSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255399813 1040985758 /nfs/dbraw/zinc/98/57/58/1040985758.db2.gz ZYXAVKVUFOJMDH-MYGLTJDJSA-N 2 1 399.579 3.744 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235560346 1040989118 /nfs/dbraw/zinc/98/91/18/1040989118.db2.gz QPXUBSGXFNRUBE-WQFQCULDSA-N 2 1 395.576 3.939 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235560346 1040989119 /nfs/dbraw/zinc/98/91/19/1040989119.db2.gz QPXUBSGXFNRUBE-WQFQCULDSA-N 2 1 395.576 3.939 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235560346 1040989120 /nfs/dbraw/zinc/98/91/20/1040989120.db2.gz QPXUBSGXFNRUBE-WQFQCULDSA-N 2 1 395.576 3.939 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3n[nH]c4cc(N)ccc43)C[C@@H]21 ZINC001235560346 1040989121 /nfs/dbraw/zinc/98/91/21/1040989121.db2.gz QPXUBSGXFNRUBE-WQFQCULDSA-N 2 1 395.576 3.939 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255410200 1040999972 /nfs/dbraw/zinc/99/99/72/1040999972.db2.gz RIKDIINQEBCMIV-VXKWHMMOSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255410200 1040999982 /nfs/dbraw/zinc/99/99/82/1040999982.db2.gz RIKDIINQEBCMIV-VXKWHMMOSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410200 1040999985 /nfs/dbraw/zinc/99/99/85/1040999985.db2.gz RIKDIINQEBCMIV-VXKWHMMOSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410200 1040999987 /nfs/dbraw/zinc/99/99/87/1040999987.db2.gz RIKDIINQEBCMIV-VXKWHMMOSA-N 2 1 395.547 3.988 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235611738 1041029109 /nfs/dbraw/zinc/02/91/09/1041029109.db2.gz ODDMDBJGFDOLPO-OAQYLSRUSA-N 2 1 375.582 3.879 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235611738 1041029158 /nfs/dbraw/zinc/02/91/58/1041029158.db2.gz ODDMDBJGFDOLPO-OAQYLSRUSA-N 2 1 375.582 3.879 20 0 GHADMP c1cc2c(cc1C[N@@H+]1CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C1)CC[NH2+]C2 ZINC001235630099 1041060148 /nfs/dbraw/zinc/06/01/48/1041060148.db2.gz BZYZCOBPYAVLBI-BJKOFHAPSA-N 2 1 384.564 3.663 20 0 GHADMP c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235644178 1041082280 /nfs/dbraw/zinc/08/22/80/1041082280.db2.gz MCRIEYFMXKURDX-LOSJGSFVSA-N 2 1 376.544 3.945 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]21 ZINC001235659081 1041108563 /nfs/dbraw/zinc/10/85/63/1041108563.db2.gz AKZHEJXMNGCQDB-SDHOMARFSA-N 3 1 375.560 3.943 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]21 ZINC001235659081 1041108571 /nfs/dbraw/zinc/10/85/71/1041108571.db2.gz AKZHEJXMNGCQDB-SDHOMARFSA-N 3 1 375.560 3.943 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]21 ZINC001235659081 1041108582 /nfs/dbraw/zinc/10/85/82/1041108582.db2.gz AKZHEJXMNGCQDB-SDHOMARFSA-N 3 1 375.560 3.943 20 0 GHADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]21 ZINC001235659081 1041108600 /nfs/dbraw/zinc/10/86/00/1041108600.db2.gz AKZHEJXMNGCQDB-SDHOMARFSA-N 2 1 375.560 3.943 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]21 ZINC001235659081 1041108613 /nfs/dbraw/zinc/10/86/13/1041108613.db2.gz AKZHEJXMNGCQDB-SDHOMARFSA-N 2 1 375.560 3.943 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(O)c(OC(F)(F)F)c2)CC1 ZINC001235668296 1041122439 /nfs/dbraw/zinc/12/24/39/1041122439.db2.gz ZKUAPUNYBUUHDB-UHFFFAOYSA-N 2 1 381.398 3.733 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001235686801 1041158853 /nfs/dbraw/zinc/15/88/53/1041158853.db2.gz CPGXZSBBWSVDFC-INIZCTEOSA-N 2 1 393.503 3.850 20 0 GHADMP Ic1sccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235705025 1041185075 /nfs/dbraw/zinc/18/50/75/1041185075.db2.gz FITHYUCVRKPCCP-UHFFFAOYSA-N 2 1 390.334 3.564 20 0 GHADMP COc1c(Cl)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1Br ZINC001235716945 1041198699 /nfs/dbraw/zinc/19/86/99/1041198699.db2.gz OIIGPHRILQDJQN-UHFFFAOYSA-N 2 1 375.738 3.933 20 0 GHADMP CC[N@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235760706 1041249344 /nfs/dbraw/zinc/24/93/44/1041249344.db2.gz INIUFSNBTMFFIE-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP CC[N@@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235760706 1041249363 /nfs/dbraw/zinc/24/93/63/1041249363.db2.gz INIUFSNBTMFFIE-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235768141 1041261290 /nfs/dbraw/zinc/26/12/90/1041261290.db2.gz GOWOKSKQVLBQHH-XZOQPEGZSA-N 2 1 397.538 3.615 20 0 GHADMP CC1(N2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)CC[NH2+]CC1 ZINC001235814633 1041328306 /nfs/dbraw/zinc/32/83/06/1041328306.db2.gz CXBMBXYKOUJQMR-UHFFFAOYSA-N 2 1 390.984 3.723 20 0 GHADMP Cc1cc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)ccc1OCc1ccccc1 ZINC001235815543 1041329783 /nfs/dbraw/zinc/32/97/83/1041329783.db2.gz LYVXKVVGVUZTAA-UHFFFAOYSA-N 2 1 393.575 3.834 20 0 GHADMP Cc1ccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)c(OCc2ccccc2)c1 ZINC001235822689 1041340256 /nfs/dbraw/zinc/34/02/56/1041340256.db2.gz QRXZZHCHDKDRMU-UHFFFAOYSA-N 2 1 393.575 3.834 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(OCC2CCOCC2)c(OC)c1 ZINC001255954574 1041435105 /nfs/dbraw/zinc/43/51/05/1041435105.db2.gz XUNCVZTYMOCQAR-SFHVURJKSA-N 2 1 378.557 3.711 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001255959243 1041436778 /nfs/dbraw/zinc/43/67/78/1041436778.db2.gz JZTRRTNXKOJREG-SFHVURJKSA-N 2 1 376.589 3.842 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+](CCOC)C3CC[NH2+]CC3)cc2)cc1 ZINC001235947728 1041454520 /nfs/dbraw/zinc/45/45/20/1041454520.db2.gz FWAAIGJQRAWZBU-UHFFFAOYSA-N 2 1 396.531 3.731 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+](CCOC)C3CC[NH2+]CC3)cc2)cc1 ZINC001235947728 1041454529 /nfs/dbraw/zinc/45/45/29/1041454529.db2.gz FWAAIGJQRAWZBU-UHFFFAOYSA-N 2 1 396.531 3.731 20 0 GHADMP COC[C@H](C)[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)Cc1cccc(OC)c1 ZINC001235963199 1041468222 /nfs/dbraw/zinc/46/82/22/1041468222.db2.gz VJWHBJUOBSGTDO-SFHVURJKSA-N 2 1 393.531 3.790 20 0 GHADMP COC(=O)c1ccc2c(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)c[nH]c2c1 ZINC001235973685 1041476988 /nfs/dbraw/zinc/47/69/88/1041476988.db2.gz JALHTSSQUBZXDA-UHFFFAOYSA-N 2 1 389.499 3.592 20 0 GHADMP Cc1cc(OC(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010937 1041503540 /nfs/dbraw/zinc/50/35/40/1041503540.db2.gz WKIQMUSVTNQVDV-QUCCMNQESA-N 2 1 376.422 3.867 20 0 GHADMP COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c1 ZINC001236011808 1041504314 /nfs/dbraw/zinc/50/43/14/1041504314.db2.gz XHPWITYBQUUIJF-RDGATRHJSA-N 2 1 385.511 3.730 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236235901 1041636657 /nfs/dbraw/zinc/63/66/57/1041636657.db2.gz GHYJVXQJDYLODA-BVSLBCMMSA-N 2 1 399.579 3.571 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccccc2-c2ccc(C[NH+]3CCCCC3)c(F)c2)CC1 ZINC001236252027 1041643436 /nfs/dbraw/zinc/64/34/36/1041643436.db2.gz WOOKSLTYDKRWDW-UHFFFAOYSA-N 2 1 395.522 3.866 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001256216265 1041654567 /nfs/dbraw/zinc/65/45/67/1041654567.db2.gz WFNMNPVKQHZCOV-OXQOHEQNSA-N 2 1 395.385 3.861 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001256216265 1041654573 /nfs/dbraw/zinc/65/45/73/1041654573.db2.gz WFNMNPVKQHZCOV-OXQOHEQNSA-N 2 1 395.385 3.861 20 0 GHADMP CCOC(=O)N1CCC([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001256247649 1041674200 /nfs/dbraw/zinc/67/42/00/1041674200.db2.gz YJJHVFHRCSXHDK-QHCPKHFHSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256247649 1041674201 /nfs/dbraw/zinc/67/42/01/1041674201.db2.gz YJJHVFHRCSXHDK-QHCPKHFHSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256247649 1041674207 /nfs/dbraw/zinc/67/42/07/1041674207.db2.gz YJJHVFHRCSXHDK-QHCPKHFHSA-N 2 1 385.552 3.595 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001256288916 1041685525 /nfs/dbraw/zinc/68/55/25/1041685525.db2.gz BLUOVSCNSDJYDL-CALCHBBNSA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001256288916 1041685538 /nfs/dbraw/zinc/68/55/38/1041685538.db2.gz BLUOVSCNSDJYDL-CALCHBBNSA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001256288916 1041685543 /nfs/dbraw/zinc/68/55/43/1041685543.db2.gz BLUOVSCNSDJYDL-CALCHBBNSA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001256288916 1041685549 /nfs/dbraw/zinc/68/55/49/1041685549.db2.gz BLUOVSCNSDJYDL-CALCHBBNSA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001256288917 1041685748 /nfs/dbraw/zinc/68/57/48/1041685748.db2.gz BLUOVSCNSDJYDL-IAGOWNOFSA-N 2 1 391.581 3.511 20 0 GHADMP COc1cccc(-c2ncc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cn2)c1 ZINC001236376921 1041688622 /nfs/dbraw/zinc/68/86/22/1041688622.db2.gz WAPWURIXDOXUKJ-GOSISDBHSA-N 2 1 380.536 3.896 20 0 GHADMP Cn1c2ccccc2c(Cl)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1=O ZINC001236376928 1041688865 /nfs/dbraw/zinc/68/88/65/1041688865.db2.gz WCCAFUYWRAZGNW-MRXNPFEDSA-N 2 1 387.955 3.936 20 0 GHADMP Clc1ccc(C[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C2CC[NH2+]CC2)cc1 ZINC001236454424 1041719499 /nfs/dbraw/zinc/71/94/99/1041719499.db2.gz JBEOVTUGMFJHRZ-UHFFFAOYSA-N 3 1 398.982 3.504 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C2CC[NH2+]CC2)cc1 ZINC001236454424 1041719503 /nfs/dbraw/zinc/71/95/03/1041719503.db2.gz JBEOVTUGMFJHRZ-UHFFFAOYSA-N 3 1 398.982 3.504 20 0 GHADMP C[C@@H](Cc1ccccn1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001256413802 1041723738 /nfs/dbraw/zinc/72/37/38/1041723738.db2.gz BSQJJQWMFMQAOF-NZQKXSOJSA-N 2 1 379.548 3.768 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3cc[nH]c32)C2CC[NH2+]CC2)c1 ZINC001236464095 1041726117 /nfs/dbraw/zinc/72/61/17/1041726117.db2.gz BHKKGWQFWLZABJ-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3cc[nH]c32)C2CC[NH2+]CC2)c1 ZINC001236464095 1041726125 /nfs/dbraw/zinc/72/61/25/1041726125.db2.gz BHKKGWQFWLZABJ-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP CSc1nc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(C2C[NH2+]C2)n1 ZINC001236471671 1041731262 /nfs/dbraw/zinc/73/12/62/1041731262.db2.gz HQKZKJWAWWKVNF-MOPGFXCFSA-N 2 1 378.545 3.706 20 0 GHADMP COC(=O)[C@@H](C[NH3+])Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001236477085 1041732043 /nfs/dbraw/zinc/73/20/43/1041732043.db2.gz XRVMPXWQEQSLSA-SMIHKQSGSA-N 2 1 390.527 3.797 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN(Cc2cccnc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236478347 1041733080 /nfs/dbraw/zinc/73/30/80/1041733080.db2.gz DYAJBTLZGMHPQF-ZEQRLZLVSA-N 2 1 378.564 3.690 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236541947 1041756784 /nfs/dbraw/zinc/75/67/84/1041756784.db2.gz QNMLREZPHQMTJR-MEMLXQNLSA-N 2 1 384.495 3.813 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cnc3cccc(C)n23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544190 1041757655 /nfs/dbraw/zinc/75/76/55/1041757655.db2.gz FUBBDADHJKZHPW-MXVIHJGJSA-N 2 1 378.520 3.923 20 0 GHADMP COc1cc(Br)c(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1O ZINC001236552420 1041759889 /nfs/dbraw/zinc/75/98/89/1041759889.db2.gz PZIGUYWKAWXTRS-SHTZXODSSA-N 2 1 385.346 3.891 20 0 GHADMP COc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cc1O ZINC001236553873 1041760378 /nfs/dbraw/zinc/76/03/78/1041760378.db2.gz UPKWBPGPDZKXLL-SHTZXODSSA-N 2 1 383.330 3.645 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(-n3nccn3)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236553734 1041760409 /nfs/dbraw/zinc/76/04/09/1041760409.db2.gz RLCUKIYNJFSJLH-MEMLXQNLSA-N 2 1 391.519 3.548 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236554103 1041760493 /nfs/dbraw/zinc/76/04/93/1041760493.db2.gz CHRPBMJJEIFZBD-IYARVYRRSA-N 2 1 397.357 3.964 20 0 GHADMP CC(C)C[N@@H+](Cc1cnc2cc(Br)ccn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554859 1041760654 /nfs/dbraw/zinc/76/06/54/1041760654.db2.gz YXDWBJUDMCXCFO-WKILWMFISA-N 2 1 379.346 3.825 20 0 GHADMP COc1nc(OC)c(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236559898 1041763491 /nfs/dbraw/zinc/76/34/91/1041763491.db2.gz HEUGGVFWHVNOSR-MEMLXQNLSA-N 2 1 383.536 3.988 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[NH+]2CCC(N3CCC([NH3+])CC3)CC2)c1 ZINC001236582331 1041767519 /nfs/dbraw/zinc/76/75/19/1041767519.db2.gz GFOXXSYJJGYDSU-UHFFFAOYSA-N 2 1 393.575 3.962 20 0 GHADMP COc1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001236682640 1041827994 /nfs/dbraw/zinc/82/79/94/1041827994.db2.gz VISLOXKTJDONJH-CQSZACIVSA-N 2 1 377.282 3.814 20 0 GHADMP COc1cccc(Br)c1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001236682640 1041827996 /nfs/dbraw/zinc/82/79/96/1041827996.db2.gz VISLOXKTJDONJH-CQSZACIVSA-N 2 1 377.282 3.814 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2cnc3ccc(Cl)nn23)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729076 1041861758 /nfs/dbraw/zinc/86/17/58/1041861758.db2.gz LPYPPTNMDFGBFA-IYARVYRRSA-N 2 1 383.927 3.963 20 0 GHADMP COc1ccc(OC)c(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236759231 1041876502 /nfs/dbraw/zinc/87/65/02/1041876502.db2.gz QGJPLOGLXDNZRS-IYARVYRRSA-N 2 1 375.557 3.938 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(Cc4ccc(Cl)nc4)c4ccccc34)C[C@H]12 ZINC001236820922 1041916115 /nfs/dbraw/zinc/91/61/15/1041916115.db2.gz SHNDRCGQDOETTN-FFZOFVMBSA-N 2 1 380.923 3.907 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001236973319 1041973364 /nfs/dbraw/zinc/97/33/64/1041973364.db2.gz ADEVBORVJAERHC-OALUTQOASA-N 2 1 385.552 3.758 20 0 GHADMP Cc1cccc(OC2CC[NH+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CC2)c1 ZINC001236974490 1041974151 /nfs/dbraw/zinc/97/41/51/1041974151.db2.gz RZWCOMVJWNYLJB-UHFFFAOYSA-N 2 1 397.538 3.929 20 0 GHADMP Clc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccnc12 ZINC001237145760 1042063876 /nfs/dbraw/zinc/06/38/76/1042063876.db2.gz YIOZJMAUMLVVJR-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(OC(F)F)ccc1Br)CC2 ZINC001237239557 1042102146 /nfs/dbraw/zinc/10/21/46/1042102146.db2.gz JRDNEAWKCZZBME-UHFFFAOYSA-N 2 1 375.257 3.578 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@H]3C2)cc1 ZINC001237274961 1042118690 /nfs/dbraw/zinc/11/86/90/1042118690.db2.gz HYSDMBANOUFKRF-ZEQRLZLVSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@H]3C2)cc1 ZINC001237274961 1042118692 /nfs/dbraw/zinc/11/86/92/1042118692.db2.gz HYSDMBANOUFKRF-ZEQRLZLVSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@H]3C2)cc1 ZINC001237274961 1042118694 /nfs/dbraw/zinc/11/86/94/1042118694.db2.gz HYSDMBANOUFKRF-ZEQRLZLVSA-N 3 1 375.560 3.676 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1cc(Br)ccc1Br)CC2 ZINC001237357367 1042167416 /nfs/dbraw/zinc/16/74/16/1042167416.db2.gz STJJEVIITIMXHJ-AWEZNQCLSA-N 2 1 388.147 3.915 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001237475928 1042225469 /nfs/dbraw/zinc/22/54/69/1042225469.db2.gz HWWZNLNUJVGELB-UHFFFAOYSA-N 2 1 396.531 3.873 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)O2)n1 ZINC001237878235 1042406066 /nfs/dbraw/zinc/40/60/66/1042406066.db2.gz OMOSIYKDNGWVFQ-NJDAHSKKSA-N 2 1 394.519 3.874 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCCCC4)C3)cc21 ZINC001237880919 1042407509 /nfs/dbraw/zinc/40/75/09/1042407509.db2.gz LMJHWIGWDDOGOR-NRFANRHFSA-N 2 1 381.564 3.912 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@@H]4C3)cc21 ZINC001237888729 1042411224 /nfs/dbraw/zinc/41/12/24/1042411224.db2.gz DGIBRNQIWNFJAK-AZUAARDMSA-N 2 1 383.536 3.739 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001238110727 1042495173 /nfs/dbraw/zinc/49/51/73/1042495173.db2.gz FZPVWCHOIDOOGJ-RTWAWAEBSA-N 2 1 396.531 3.666 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cnc1OC(C)C ZINC001238381548 1042577557 /nfs/dbraw/zinc/57/75/57/1042577557.db2.gz JUWJUPYRBUBGFF-UHFFFAOYSA-N 2 1 399.535 3.637 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cnc1OC(C)C ZINC001238381548 1042577562 /nfs/dbraw/zinc/57/75/62/1042577562.db2.gz JUWJUPYRBUBGFF-UHFFFAOYSA-N 2 1 399.535 3.637 20 0 GHADMP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001462633275 1070430093 /nfs/dbraw/zinc/43/00/93/1070430093.db2.gz GUNAJIYXHMBWBS-WTIAFYNJSA-N 2 1 380.532 3.804 20 0 GHADMP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001462633275 1070430095 /nfs/dbraw/zinc/43/00/95/1070430095.db2.gz GUNAJIYXHMBWBS-WTIAFYNJSA-N 2 1 380.532 3.804 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001291562510 1043344279 /nfs/dbraw/zinc/34/42/79/1043344279.db2.gz GPOBGNPMKVXHQU-OALUTQOASA-N 2 1 392.636 3.833 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001291563298 1043345196 /nfs/dbraw/zinc/34/51/96/1043345196.db2.gz SMESXUADRDUKMN-SFHVURJKSA-N 2 1 390.620 3.587 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256529727 1043461749 /nfs/dbraw/zinc/46/17/49/1043461749.db2.gz WLOMDIXUXATYDJ-AUSIDOKSSA-N 2 1 380.532 3.935 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256529727 1043461758 /nfs/dbraw/zinc/46/17/58/1043461758.db2.gz WLOMDIXUXATYDJ-AUSIDOKSSA-N 2 1 380.532 3.935 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256531197 1043463277 /nfs/dbraw/zinc/46/32/77/1043463277.db2.gz QWMZHCGHGXSXQY-SQJMNOBHSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256531197 1043463287 /nfs/dbraw/zinc/46/32/87/1043463287.db2.gz QWMZHCGHGXSXQY-SQJMNOBHSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256532483 1043467399 /nfs/dbraw/zinc/46/73/99/1043467399.db2.gz IZYZICXPSNYZQM-DENIHFKCSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256532483 1043467418 /nfs/dbraw/zinc/46/74/18/1043467418.db2.gz IZYZICXPSNYZQM-DENIHFKCSA-N 2 1 395.547 3.640 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256534605 1043468863 /nfs/dbraw/zinc/46/88/63/1043468863.db2.gz SRXQKNCRKUMURS-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256534605 1043468876 /nfs/dbraw/zinc/46/88/76/1043468876.db2.gz SRXQKNCRKUMURS-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(c2ccncc2F)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552698 1043518768 /nfs/dbraw/zinc/51/87/68/1043518768.db2.gz CHCYZGWUWDOHTC-WIYYLYMNSA-N 2 1 382.527 3.832 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553517 1043521616 /nfs/dbraw/zinc/52/16/16/1043521616.db2.gz HXSZTOUWRNSXMN-QPPBQGQZSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256553517 1043521622 /nfs/dbraw/zinc/52/16/22/1043521622.db2.gz HXSZTOUWRNSXMN-QPPBQGQZSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001256553517 1043521627 /nfs/dbraw/zinc/52/16/27/1043521627.db2.gz HXSZTOUWRNSXMN-QPPBQGQZSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001256553517 1043521631 /nfs/dbraw/zinc/52/16/31/1043521631.db2.gz HXSZTOUWRNSXMN-QPPBQGQZSA-N 2 1 375.560 4.000 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)n1 ZINC001256556693 1043524244 /nfs/dbraw/zinc/52/42/44/1043524244.db2.gz INJPUMMEKCFRIA-CVDCTZTESA-N 2 1 393.579 3.705 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)[nH+]1 ZINC001256556693 1043524253 /nfs/dbraw/zinc/52/42/53/1043524253.db2.gz INJPUMMEKCFRIA-CVDCTZTESA-N 3 1 393.579 3.705 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)[nH+]1 ZINC001256556693 1043524261 /nfs/dbraw/zinc/52/42/61/1043524261.db2.gz INJPUMMEKCFRIA-CVDCTZTESA-N 3 1 393.579 3.705 20 0 GHADMP C[C@@H]1C[C@@H](N(c2ccc(F)cn2)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256558014 1043529656 /nfs/dbraw/zinc/52/96/56/1043529656.db2.gz PTPNLIAXHBVSHC-GCJKJVERSA-N 2 1 382.527 3.832 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256558689 1043530531 /nfs/dbraw/zinc/53/05/31/1043530531.db2.gz UFQBNHACAZEUNU-RCZSKKKRSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256558689 1043530543 /nfs/dbraw/zinc/53/05/43/1043530543.db2.gz UFQBNHACAZEUNU-RCZSKKKRSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256558689 1043530552 /nfs/dbraw/zinc/53/05/52/1043530552.db2.gz UFQBNHACAZEUNU-RCZSKKKRSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256558689 1043530555 /nfs/dbraw/zinc/53/05/55/1043530555.db2.gz UFQBNHACAZEUNU-RCZSKKKRSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256559218 1043532034 /nfs/dbraw/zinc/53/20/34/1043532034.db2.gz ZIOYFURVEWKBME-DENIHFKCSA-N 3 1 394.563 3.702 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256559218 1043532044 /nfs/dbraw/zinc/53/20/44/1043532044.db2.gz ZIOYFURVEWKBME-DENIHFKCSA-N 2 1 394.563 3.702 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256559218 1043532058 /nfs/dbraw/zinc/53/20/58/1043532058.db2.gz ZIOYFURVEWKBME-DENIHFKCSA-N 2 1 394.563 3.702 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(OCC3CCOCC3)c(F)c2)CC1 ZINC001256566653 1043539122 /nfs/dbraw/zinc/53/91/22/1043539122.db2.gz KGTCHRULAGYEJZ-UHFFFAOYSA-N 2 1 378.532 3.984 20 0 GHADMP O=C(CN1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC001256600398 1043564367 /nfs/dbraw/zinc/56/43/67/1043564367.db2.gz FXPFSNAEZCHWOP-UHFFFAOYSA-N 2 1 391.559 3.588 20 0 GHADMP CCOC(=O)CCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256600396 1043564417 /nfs/dbraw/zinc/56/44/17/1043564417.db2.gz FVNWUZOFMFBURO-UHFFFAOYSA-N 2 1 380.532 3.937 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256612925 1043577441 /nfs/dbraw/zinc/57/74/41/1043577441.db2.gz RZCYIMJMSWOQGS-HXUWFJFHSA-N 2 1 393.506 3.520 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256612925 1043577450 /nfs/dbraw/zinc/57/74/50/1043577450.db2.gz RZCYIMJMSWOQGS-HXUWFJFHSA-N 2 1 393.506 3.520 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCO[C@H](c4ccccc4)C2)CC3)cn1 ZINC001256809907 1043665221 /nfs/dbraw/zinc/66/52/21/1043665221.db2.gz KESCHQLAYNCRQX-PKTZIBPZSA-N 2 1 394.563 3.771 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCO[C@H](c4ccccc4)C2)CC3)cn1 ZINC001256809907 1043665232 /nfs/dbraw/zinc/66/52/32/1043665232.db2.gz KESCHQLAYNCRQX-PKTZIBPZSA-N 2 1 394.563 3.771 20 0 GHADMP C[C@H](Cc1ccccc1Br)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001256842809 1043693149 /nfs/dbraw/zinc/69/31/49/1043693149.db2.gz WFXBRUFFSQMTJO-CQSZACIVSA-N 2 1 380.330 3.510 20 0 GHADMP c1ccc2c(c1)CC[N@@H+](C1CCN(C3CCN(c4cc[nH+]cc4)CC3)CC1)C2 ZINC001256861399 1043707599 /nfs/dbraw/zinc/70/75/99/1043707599.db2.gz MLCBFYLUSPYBQY-UHFFFAOYSA-N 2 1 376.548 3.573 20 0 GHADMP c1ccc2c(c1)CC[N@H+](C1CCN(C3CCN(c4cc[nH+]cc4)CC3)CC1)C2 ZINC001256861399 1043707603 /nfs/dbraw/zinc/70/76/03/1043707603.db2.gz MLCBFYLUSPYBQY-UHFFFAOYSA-N 2 1 376.548 3.573 20 0 GHADMP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC1)C2 ZINC001256861399 1043707606 /nfs/dbraw/zinc/70/76/06/1043707606.db2.gz MLCBFYLUSPYBQY-UHFFFAOYSA-N 3 1 376.548 3.573 20 0 GHADMP c1ccc2c(c1)CC[N@H+](C1CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC1)C2 ZINC001256861399 1043707608 /nfs/dbraw/zinc/70/76/08/1043707608.db2.gz MLCBFYLUSPYBQY-UHFFFAOYSA-N 3 1 376.548 3.573 20 0 GHADMP C[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001256864664 1043709072 /nfs/dbraw/zinc/70/90/72/1043709072.db2.gz MPTYKHNEEADSSJ-PMACEKPBSA-N 2 1 388.556 3.818 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256863327 1043709187 /nfs/dbraw/zinc/70/91/87/1043709187.db2.gz XRWMVNOQJDJVOQ-XZOQPEGZSA-N 2 1 393.531 3.862 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)C[C@@H]2C1 ZINC001256894891 1043727662 /nfs/dbraw/zinc/72/76/62/1043727662.db2.gz NVWYGPCCYHQBBV-HCXYKTFWSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)C[C@@H]2C1 ZINC001256894891 1043727674 /nfs/dbraw/zinc/72/76/74/1043727674.db2.gz NVWYGPCCYHQBBV-HCXYKTFWSA-N 2 1 377.573 3.629 20 0 GHADMP O=C1OCC[C@@H]1[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256925052 1043753391 /nfs/dbraw/zinc/75/33/91/1043753391.db2.gz DUTDHZAXUXWLIS-VNXZQDSDSA-N 2 1 378.516 3.905 20 0 GHADMP COC(=O)CC1CCC([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001256984079 1043785190 /nfs/dbraw/zinc/78/51/90/1043785190.db2.gz OIECBFLJKIDDAO-UHFFFAOYSA-N 2 1 399.579 3.880 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(Cl)c1Cl ZINC001292582486 1043794774 /nfs/dbraw/zinc/79/47/74/1043794774.db2.gz KOYPYQBTSRXVGR-OAHLLOKOSA-N 2 1 386.367 3.790 20 0 GHADMP C[C@@H]1CC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C[C@@H](C)O1 ZINC001257091681 1043839678 /nfs/dbraw/zinc/83/96/78/1043839678.db2.gz GCEWHWYJOOFIMF-LMMKCTJWSA-N 2 1 378.582 3.759 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)cc1 ZINC001257153178 1043901862 /nfs/dbraw/zinc/90/18/62/1043901862.db2.gz JLIMLQQBBULMBI-QGZVFWFLSA-N 2 1 384.495 3.883 20 0 GHADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)ccc2c1 ZINC001257283205 1043954872 /nfs/dbraw/zinc/95/48/72/1043954872.db2.gz SXLXANIMOKJCJB-PNTFMKQHSA-N 2 1 395.591 3.880 20 0 GHADMP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001292966478 1043967875 /nfs/dbraw/zinc/96/78/75/1043967875.db2.gz MUOXGMVTKJOUAW-QUURXOELSA-N 2 1 393.575 3.533 20 0 GHADMP C(C1CC1)[N@H+]1CCC2(CN(C3CCC(C4CCC5(CC4)OCCO5)CC3)C2)C1 ZINC001257494921 1044020749 /nfs/dbraw/zinc/02/07/49/1044020749.db2.gz FDTFJCLNZPQCFR-UHFFFAOYSA-N 2 1 388.596 3.896 20 0 GHADMP C(C1CC1)[N@@H+]1CCC2(C[NH+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C2)C1 ZINC001257494921 1044020761 /nfs/dbraw/zinc/02/07/61/1044020761.db2.gz FDTFJCLNZPQCFR-UHFFFAOYSA-N 2 1 388.596 3.896 20 0 GHADMP C(C1CC1)[N@H+]1CCC2(C[NH+](C3CCC(C4CCC5(CC4)OCCO5)CC3)C2)C1 ZINC001257494921 1044020777 /nfs/dbraw/zinc/02/07/77/1044020777.db2.gz FDTFJCLNZPQCFR-UHFFFAOYSA-N 2 1 388.596 3.896 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)CC1 ZINC001293495886 1044213975 /nfs/dbraw/zinc/21/39/75/1044213975.db2.gz MTICXOWKIPOODV-SHSGKGFPSA-N 2 1 397.607 3.664 20 0 GHADMP COC(=O)C1CCC([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001257869153 1044230252 /nfs/dbraw/zinc/23/02/52/1044230252.db2.gz XHPQRCGFQNUTQQ-UHFFFAOYSA-N 2 1 398.469 3.991 20 0 GHADMP COC(=O)C1CCC([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001257869130 1044230378 /nfs/dbraw/zinc/23/03/78/1044230378.db2.gz WPJLKSAPYFUCJB-UHFFFAOYSA-N 2 1 398.469 3.991 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(-c3cccs3)s1)C2 ZINC001279055522 1044241970 /nfs/dbraw/zinc/24/19/70/1044241970.db2.gz OCSFJDJBZYNJFD-UHFFFAOYSA-N 2 1 375.607 3.936 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)c(OCC3CCOCC3)c(F)c2)CC1 ZINC001258008204 1044333626 /nfs/dbraw/zinc/33/36/26/1044333626.db2.gz KLAWFVKTHMKVEO-UHFFFAOYSA-N 2 1 396.522 3.980 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001258016974 1044343851 /nfs/dbraw/zinc/34/38/51/1044343851.db2.gz PFFDKYSDEMTLPA-ZVDOUQERSA-N 2 1 377.617 3.902 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001258016974 1044343867 /nfs/dbraw/zinc/34/38/67/1044343867.db2.gz PFFDKYSDEMTLPA-ZVDOUQERSA-N 2 1 377.617 3.902 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258065738 1044378303 /nfs/dbraw/zinc/37/83/03/1044378303.db2.gz OARLSVURTQPYDR-SEIRJHJZSA-N 2 1 377.617 3.854 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258135073 1044419283 /nfs/dbraw/zinc/41/92/83/1044419283.db2.gz JGQRQLWMBWSABV-RTWAWAEBSA-N 2 1 387.568 3.729 20 0 GHADMP CN(CCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001258134400 1044419693 /nfs/dbraw/zinc/41/96/93/1044419693.db2.gz GUZBYMLLGDOKIL-UHFFFAOYSA-N 2 1 389.584 3.930 20 0 GHADMP CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258140922 1044427379 /nfs/dbraw/zinc/42/73/79/1044427379.db2.gz ONNJULYAFBNJCP-RUZDIDTESA-N 2 1 377.576 3.900 20 0 GHADMP CC(C)(C)CC(=O)NC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148237 1044437164 /nfs/dbraw/zinc/43/71/64/1044437164.db2.gz CAQSQOLSZSBSSM-UHFFFAOYSA-N 2 1 385.596 3.710 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC001258149125 1044438961 /nfs/dbraw/zinc/43/89/61/1044438961.db2.gz ZDIRPBLZBAQOPD-AHWVRZQESA-N 2 1 389.587 3.900 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC001258149125 1044438969 /nfs/dbraw/zinc/43/89/69/1044438969.db2.gz ZDIRPBLZBAQOPD-AHWVRZQESA-N 2 1 389.587 3.900 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)CC(C)(C)SC)CC2)c1 ZINC001258349567 1044520665 /nfs/dbraw/zinc/52/06/65/1044520665.db2.gz NQKSVRSFHPYMJV-INIZCTEOSA-N 2 1 378.582 3.947 20 0 GHADMP CC1(C)COC2(CCC([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)OC1 ZINC001258526065 1044604822 /nfs/dbraw/zinc/60/48/22/1044604822.db2.gz SVUWASPWCKBMOZ-OYRHEFFESA-N 2 1 384.564 3.762 20 0 GHADMP CC1(C)COC2(CCC([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CC2)OC1 ZINC001258526065 1044604829 /nfs/dbraw/zinc/60/48/29/1044604829.db2.gz SVUWASPWCKBMOZ-OYRHEFFESA-N 2 1 384.564 3.762 20 0 GHADMP CC1(C)COC2(CCC([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CC2)OC1 ZINC001258526065 1044604835 /nfs/dbraw/zinc/60/48/35/1044604835.db2.gz SVUWASPWCKBMOZ-OYRHEFFESA-N 2 1 384.564 3.762 20 0 GHADMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258574285 1044650005 /nfs/dbraw/zinc/65/00/05/1044650005.db2.gz KNGXLQQLNPADNU-FQEVSTJZSA-N 2 1 395.522 3.657 20 0 GHADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258749167 1044746243 /nfs/dbraw/zinc/74/62/43/1044746243.db2.gz NFYRATKLZFIWGS-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000567613567 1046064029 /nfs/dbraw/zinc/06/40/29/1046064029.db2.gz CEZWHJHQNOMXLF-XZOQPEGZSA-N 2 1 379.548 3.551 20 0 GHADMP CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000567613567 1046064041 /nfs/dbraw/zinc/06/40/41/1046064041.db2.gz CEZWHJHQNOMXLF-XZOQPEGZSA-N 2 1 379.548 3.551 20 0 GHADMP O=C(c1sc2ccccc2c1Cl)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001263190705 1046628287 /nfs/dbraw/zinc/62/82/87/1046628287.db2.gz OVOPGOFRTHECQL-GASCZTMLSA-N 2 1 389.952 3.596 20 0 GHADMP O=C(c1sc2ccccc2c1Cl)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001263190705 1046628295 /nfs/dbraw/zinc/62/82/95/1046628295.db2.gz OVOPGOFRTHECQL-GASCZTMLSA-N 2 1 389.952 3.596 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCCC4)o3)C2)c1 ZINC001301782000 1046700116 /nfs/dbraw/zinc/70/01/16/1046700116.db2.gz IPAYJVUVRBEKMQ-FQEVSTJZSA-N 2 1 381.520 3.578 20 0 GHADMP Fc1cc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279470262 1047817857 /nfs/dbraw/zinc/81/78/57/1047817857.db2.gz VNZRRVOOEAJAJE-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279470262 1047817863 /nfs/dbraw/zinc/81/78/63/1047817863.db2.gz VNZRRVOOEAJAJE-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(F)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001279470262 1047817870 /nfs/dbraw/zinc/81/78/70/1047817870.db2.gz VNZRRVOOEAJAJE-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1 ZINC001279542501 1047836385 /nfs/dbraw/zinc/83/63/85/1047836385.db2.gz XOXYMNKNHZRECF-YHWZYXNKSA-N 2 1 384.471 3.882 20 0 GHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1 ZINC001279542501 1047836397 /nfs/dbraw/zinc/83/63/97/1047836397.db2.gz XOXYMNKNHZRECF-YHWZYXNKSA-N 2 1 384.471 3.882 20 0 GHADMP Cc1sc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1Br ZINC001279580701 1047852420 /nfs/dbraw/zinc/85/24/20/1047852420.db2.gz FLYWAADWZGSHFI-UHFFFAOYSA-N 2 1 395.370 3.640 20 0 GHADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CC(C)(C)Sc3ccc(Cl)cc3)[C@@H]2C1 ZINC001279593223 1047858580 /nfs/dbraw/zinc/85/85/80/1047858580.db2.gz CEOWIOBCXVNLTE-QFBILLFUSA-N 2 1 382.017 3.778 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cncc(Cl)c3)C[C@H]2CC1 ZINC001279640733 1047884455 /nfs/dbraw/zinc/88/44/55/1047884455.db2.gz YYMMGGSUTNQSAQ-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cncc(Cl)c3)C[C@H]2CC1 ZINC001279640733 1047884467 /nfs/dbraw/zinc/88/44/67/1047884467.db2.gz YYMMGGSUTNQSAQ-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cncc(Cl)c3)C[C@H]2CC1 ZINC001279640733 1047884482 /nfs/dbraw/zinc/88/44/82/1047884482.db2.gz YYMMGGSUTNQSAQ-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(OC)c1 ZINC001279666756 1047906038 /nfs/dbraw/zinc/90/60/38/1047906038.db2.gz LAQHZGILSYJOAM-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP Oc1cnc(Cl)cc1C[N@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279684001 1047912770 /nfs/dbraw/zinc/91/27/70/1047912770.db2.gz BSZYWCQQUTWFLL-OKILXGFUSA-N 2 1 391.865 3.927 20 0 GHADMP Oc1cnc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279684001 1047912774 /nfs/dbraw/zinc/91/27/74/1047912774.db2.gz BSZYWCQQUTWFLL-OKILXGFUSA-N 2 1 391.865 3.927 20 0 GHADMP Oc1cnc(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279684001 1047912780 /nfs/dbraw/zinc/91/27/80/1047912780.db2.gz BSZYWCQQUTWFLL-OKILXGFUSA-N 2 1 391.865 3.927 20 0 GHADMP Oc1cnc(Cl)cc1C[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279684001 1047912784 /nfs/dbraw/zinc/91/27/84/1047912784.db2.gz BSZYWCQQUTWFLL-OKILXGFUSA-N 2 1 391.865 3.927 20 0 GHADMP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3sccc3Br)(C1)CCC2 ZINC001279705273 1047924745 /nfs/dbraw/zinc/92/47/45/1047924745.db2.gz YRASMIUUOGPQKU-DLBZAZTESA-N 2 1 386.403 3.597 20 0 GHADMP Nc1ncc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279714172 1047932086 /nfs/dbraw/zinc/93/20/86/1047932086.db2.gz GRXZBQWCTGBSHS-GASCZTMLSA-N 2 1 393.373 3.513 20 0 GHADMP Nc1ncc(Br)cc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279714172 1047932093 /nfs/dbraw/zinc/93/20/93/1047932093.db2.gz GRXZBQWCTGBSHS-GASCZTMLSA-N 2 1 393.373 3.513 20 0 GHADMP Nc1ncc(Br)cc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279714172 1047932096 /nfs/dbraw/zinc/93/20/96/1047932096.db2.gz GRXZBQWCTGBSHS-GASCZTMLSA-N 2 1 393.373 3.513 20 0 GHADMP NC(=O)CCCCC[N@H+]1CCC[C@]2(CCCN(CCCC(F)(F)F)C2)C1 ZINC001280280071 1048160031 /nfs/dbraw/zinc/16/00/31/1048160031.db2.gz IVZFNMYDLLTLGV-SFHVURJKSA-N 2 1 377.495 3.553 20 0 GHADMP NC(=O)CCCCC[N@@H+]1CCC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280280071 1048160046 /nfs/dbraw/zinc/16/00/46/1048160046.db2.gz IVZFNMYDLLTLGV-SFHVURJKSA-N 2 1 377.495 3.553 20 0 GHADMP NC(=O)CCCCC[N@H+]1CCC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280280071 1048160051 /nfs/dbraw/zinc/16/00/51/1048160051.db2.gz IVZFNMYDLLTLGV-SFHVURJKSA-N 2 1 377.495 3.553 20 0 GHADMP NC(=O)CCCCC[NH+]1CCC[C@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280280071 1048160064 /nfs/dbraw/zinc/16/00/64/1048160064.db2.gz IVZFNMYDLLTLGV-SFHVURJKSA-N 2 1 377.495 3.553 20 0 GHADMP NC(=O)CCCCC[NH+]1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280280071 1048160068 /nfs/dbraw/zinc/16/00/68/1048160068.db2.gz IVZFNMYDLLTLGV-SFHVURJKSA-N 2 1 377.495 3.553 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC001307515000 1049356578 /nfs/dbraw/zinc/35/65/78/1049356578.db2.gz YEHXURDJKDBQIE-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC001307515000 1049356592 /nfs/dbraw/zinc/35/65/92/1049356592.db2.gz YEHXURDJKDBQIE-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)Cc2ccsc2)CC1 ZINC001307515000 1049356603 /nfs/dbraw/zinc/35/66/03/1049356603.db2.gz YEHXURDJKDBQIE-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)Cc2ccsc2)CC1 ZINC001307515000 1049356615 /nfs/dbraw/zinc/35/66/15/1049356615.db2.gz YEHXURDJKDBQIE-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCc4ccccc4[C@H]3C)CC2)cc1 ZINC001307520325 1049365140 /nfs/dbraw/zinc/36/51/40/1049365140.db2.gz WUNFFPWNEGOCSH-OAQYLSRUSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCc4ccccc4[C@H]3C)CC2)cc1 ZINC001307520325 1049365155 /nfs/dbraw/zinc/36/51/55/1049365155.db2.gz WUNFFPWNEGOCSH-OAQYLSRUSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCc4ccccc4[C@H]3C)CC2)cc1 ZINC001307520325 1049365164 /nfs/dbraw/zinc/36/51/64/1049365164.db2.gz WUNFFPWNEGOCSH-OAQYLSRUSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCc4ccccc4[C@H]3C)CC2)cc1 ZINC001307520325 1049365177 /nfs/dbraw/zinc/36/51/77/1049365177.db2.gz WUNFFPWNEGOCSH-OAQYLSRUSA-N 2 1 391.559 3.649 20 0 GHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(Cl)c1 ZINC001307736962 1049549511 /nfs/dbraw/zinc/54/95/11/1049549511.db2.gz RDCUTHDGVCWUBM-KDURUIRLSA-N 2 1 383.923 3.732 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(Cl)c1 ZINC001307736962 1049549518 /nfs/dbraw/zinc/54/95/18/1049549518.db2.gz RDCUTHDGVCWUBM-KDURUIRLSA-N 2 1 383.923 3.732 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(Cl)c1 ZINC001307736962 1049549529 /nfs/dbraw/zinc/54/95/29/1049549529.db2.gz RDCUTHDGVCWUBM-KDURUIRLSA-N 2 1 383.923 3.732 20 0 GHADMP CCOCC[C@@H](O)C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001307824925 1049618247 /nfs/dbraw/zinc/61/82/47/1049618247.db2.gz BYJSUXMVUASVKC-DNQXCXABSA-N 2 1 388.596 3.931 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955757 1049720486 /nfs/dbraw/zinc/72/04/86/1049720486.db2.gz WMODAHSTGXAIJF-DENIHFKCSA-N 2 1 387.568 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955757 1049720497 /nfs/dbraw/zinc/72/04/97/1049720497.db2.gz WMODAHSTGXAIJF-DENIHFKCSA-N 2 1 387.568 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955757 1049720502 /nfs/dbraw/zinc/72/05/02/1049720502.db2.gz WMODAHSTGXAIJF-DENIHFKCSA-N 2 1 387.568 3.583 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]1CCCC2 ZINC001308172132 1049899763 /nfs/dbraw/zinc/89/97/63/1049899763.db2.gz CMZHTOWCPJVOSY-KNQAVFIVSA-N 2 1 379.589 3.879 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2c(F)cccc2Cl)[C@H](c2ccccc2)C1 ZINC001308198438 1049909668 /nfs/dbraw/zinc/90/96/68/1049909668.db2.gz XRIKAYREOPSZDC-NRFANRHFSA-N 2 1 375.919 3.948 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001308205701 1049912354 /nfs/dbraw/zinc/91/23/54/1049912354.db2.gz BNCDICSGYCJDHG-JOCHJYFZSA-N 2 1 381.564 3.770 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001308205701 1049912358 /nfs/dbraw/zinc/91/23/58/1049912358.db2.gz BNCDICSGYCJDHG-JOCHJYFZSA-N 2 1 381.564 3.770 20 0 GHADMP COC(=O)COc1ccccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001308271679 1049933163 /nfs/dbraw/zinc/93/31/63/1049933163.db2.gz YIFXZWKGXVEISD-SFHVURJKSA-N 2 1 382.504 3.554 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC001308331411 1049950361 /nfs/dbraw/zinc/95/03/61/1049950361.db2.gz VVCDLPVIQKOLCJ-DHIUTWEWSA-N 2 1 380.532 3.733 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001308598353 1050026002 /nfs/dbraw/zinc/02/60/02/1050026002.db2.gz KRROELGTCLIZEV-MRXNPFEDSA-N 2 1 382.570 3.636 20 0 GHADMP OC1(CC[NH2+]Cc2c(Cl)ccnc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001308920072 1050169900 /nfs/dbraw/zinc/16/99/00/1050169900.db2.gz YSOAZSCNMRIJOK-UHFFFAOYSA-N 2 1 394.346 3.895 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC001329254282 1050759760 /nfs/dbraw/zinc/75/97/60/1050759760.db2.gz VPANCVPAZJUKFS-HSZRJFAPSA-N 2 1 398.595 3.831 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC001329254282 1050759772 /nfs/dbraw/zinc/75/97/72/1050759772.db2.gz VPANCVPAZJUKFS-HSZRJFAPSA-N 2 1 398.595 3.831 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC001329254282 1050759777 /nfs/dbraw/zinc/75/97/77/1050759777.db2.gz VPANCVPAZJUKFS-HSZRJFAPSA-N 2 1 398.595 3.831 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001329860724 1050914132 /nfs/dbraw/zinc/91/41/32/1050914132.db2.gz ASQVFUMRIUBUGX-SEJPIABJSA-N 2 1 380.536 3.708 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001329860724 1050914136 /nfs/dbraw/zinc/91/41/36/1050914136.db2.gz ASQVFUMRIUBUGX-SEJPIABJSA-N 2 1 380.536 3.708 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N3CCC[NH+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC001330790999 1051108037 /nfs/dbraw/zinc/10/80/37/1051108037.db2.gz STSQRGSLSDBQHD-KRWDZBQOSA-N 2 1 399.564 3.593 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC001330790999 1051108045 /nfs/dbraw/zinc/10/80/45/1051108045.db2.gz STSQRGSLSDBQHD-KRWDZBQOSA-N 2 1 399.564 3.593 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N3CCC[N@H+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC001330790999 1051108054 /nfs/dbraw/zinc/10/80/54/1051108054.db2.gz STSQRGSLSDBQHD-KRWDZBQOSA-N 2 1 399.564 3.593 20 0 GHADMP CN(C)c1cc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc[nH+]1 ZINC001311078002 1051833391 /nfs/dbraw/zinc/83/33/91/1051833391.db2.gz ABKIQUBDCRKUBT-UHFFFAOYSA-N 2 1 393.535 3.668 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC001311313450 1052012477 /nfs/dbraw/zinc/01/24/77/1052012477.db2.gz FUWCYALLWYNBPO-NQIIRXRSSA-N 2 1 390.572 3.601 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001311397032 1052092831 /nfs/dbraw/zinc/09/28/31/1052092831.db2.gz COGPVDDKSTZEAT-RZUBCFFCSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311397032 1052092835 /nfs/dbraw/zinc/09/28/35/1052092835.db2.gz COGPVDDKSTZEAT-RZUBCFFCSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001311397032 1052092842 /nfs/dbraw/zinc/09/28/42/1052092842.db2.gz COGPVDDKSTZEAT-RZUBCFFCSA-N 2 1 388.600 3.563 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1Cl ZINC001311401447 1052102641 /nfs/dbraw/zinc/10/26/41/1052102641.db2.gz RGMINOMIVSWPMG-FQEVSTJZSA-N 2 1 394.991 3.897 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1Cl ZINC001311401447 1052102645 /nfs/dbraw/zinc/10/26/45/1052102645.db2.gz RGMINOMIVSWPMG-FQEVSTJZSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(C)(C)C[NH+](C)C ZINC001311496732 1052203166 /nfs/dbraw/zinc/20/31/66/1052203166.db2.gz XJKPKEJXPGUKGD-RTBURBONSA-N 2 1 388.600 3.837 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001311891179 1052460793 /nfs/dbraw/zinc/46/07/93/1052460793.db2.gz UBGJVCXDWPOYNL-HXUWFJFHSA-N 2 1 392.563 3.554 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001312649057 1052826149 /nfs/dbraw/zinc/82/61/49/1052826149.db2.gz TWGQJFZJYMJMGE-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001312649057 1052826155 /nfs/dbraw/zinc/82/61/55/1052826155.db2.gz TWGQJFZJYMJMGE-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001312649057 1052826157 /nfs/dbraw/zinc/82/61/57/1052826157.db2.gz TWGQJFZJYMJMGE-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001312798615 1052874463 /nfs/dbraw/zinc/87/44/63/1052874463.db2.gz VFHQWAASSYBTRU-HXUWFJFHSA-N 2 1 388.600 3.851 20 0 GHADMP CC[N@H+](CCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC001312964772 1052922023 /nfs/dbraw/zinc/92/20/23/1052922023.db2.gz XGJVRBOEXDERJY-JOCHJYFZSA-N 2 1 386.584 3.729 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC001312964772 1052922025 /nfs/dbraw/zinc/92/20/25/1052922025.db2.gz XGJVRBOEXDERJY-JOCHJYFZSA-N 2 1 386.584 3.729 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC001312964772 1052922028 /nfs/dbraw/zinc/92/20/28/1052922028.db2.gz XGJVRBOEXDERJY-JOCHJYFZSA-N 2 1 386.584 3.729 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC001312964772 1052922031 /nfs/dbraw/zinc/92/20/31/1052922031.db2.gz XGJVRBOEXDERJY-JOCHJYFZSA-N 2 1 386.584 3.729 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1)CC(C)C ZINC001313116636 1052961208 /nfs/dbraw/zinc/96/12/08/1052961208.db2.gz KEOANDTYCVVJDR-QFIPXVFZSA-N 2 1 392.632 3.793 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1)CC(C)C ZINC001313116636 1052961209 /nfs/dbraw/zinc/96/12/09/1052961209.db2.gz KEOANDTYCVVJDR-QFIPXVFZSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CCC(C)([NH+]4CCCCC4)CC3)C2)cc1 ZINC001313187809 1052981245 /nfs/dbraw/zinc/98/12/45/1052981245.db2.gz YWPFCOJRIGXPNC-QFIPXVFZSA-N 2 1 398.595 3.619 20 0 GHADMP CC1([NH+]2CCC2)CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001313376388 1053036395 /nfs/dbraw/zinc/03/63/95/1053036395.db2.gz UIBUDSFJYMRMOW-WQMHRJNTSA-N 2 1 390.616 3.737 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001318505545 1054686292 /nfs/dbraw/zinc/68/62/92/1054686292.db2.gz YEDRSUUDQXUTKV-BVYCBKJFSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC001318660021 1054779759 /nfs/dbraw/zinc/77/97/59/1054779759.db2.gz DAQDXMYJGRWKAD-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC001318660021 1054779771 /nfs/dbraw/zinc/77/97/71/1054779771.db2.gz DAQDXMYJGRWKAD-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC001318660021 1054779786 /nfs/dbraw/zinc/77/97/86/1054779786.db2.gz DAQDXMYJGRWKAD-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc2c(c1)CCO2 ZINC001319190145 1055088578 /nfs/dbraw/zinc/08/85/78/1055088578.db2.gz MULQCMWYLLSLIZ-HSZRJFAPSA-N 2 1 379.548 3.610 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001319627134 1055367745 /nfs/dbraw/zinc/36/77/45/1055367745.db2.gz PLOCYWOXXUVGFQ-UAFMIMERSA-N 2 1 379.589 3.876 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)c1 ZINC001319686939 1055397322 /nfs/dbraw/zinc/39/73/22/1055397322.db2.gz YANAMOHZEJNXNA-JOCHJYFZSA-N 2 1 386.584 3.688 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001319686939 1055397336 /nfs/dbraw/zinc/39/73/36/1055397336.db2.gz YANAMOHZEJNXNA-JOCHJYFZSA-N 2 1 386.584 3.688 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC001319686939 1055397347 /nfs/dbraw/zinc/39/73/47/1055397347.db2.gz YANAMOHZEJNXNA-JOCHJYFZSA-N 2 1 386.584 3.688 20 0 GHADMP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001320309153 1055748376 /nfs/dbraw/zinc/74/83/76/1055748376.db2.gz SIYMXPFIMGRIMQ-XLIONFOSSA-N 2 1 376.504 3.768 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)c2)CC1 ZINC001320806730 1055969911 /nfs/dbraw/zinc/96/99/11/1055969911.db2.gz MTRVFFGNAOJGSQ-UHFFFAOYSA-N 2 1 389.503 3.794 20 0 GHADMP CC(C)N(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324077028 1057066196 /nfs/dbraw/zinc/06/61/96/1057066196.db2.gz RJYIVCSBHTZPQM-FRIKZZABSA-N 2 1 386.584 3.554 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc(-c2ccc(Br)cc2)cn1 ZINC000848483173 1057118994 /nfs/dbraw/zinc/11/89/94/1057118994.db2.gz ZUBZBWJGUYYPJS-UHFFFAOYSA-N 2 1 388.313 3.797 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc(-c2ccc(Br)cc2)cn1 ZINC000848483173 1057118995 /nfs/dbraw/zinc/11/89/95/1057118995.db2.gz ZUBZBWJGUYYPJS-UHFFFAOYSA-N 2 1 388.313 3.797 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001325483917 1057333161 /nfs/dbraw/zinc/33/31/61/1057333161.db2.gz FSHUTYDENBBOAP-QHCPKHFHSA-N 2 1 399.579 3.888 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)o1 ZINC000848900624 1057407335 /nfs/dbraw/zinc/40/73/35/1057407335.db2.gz OQBDPEXOHCIKOX-KTKRTIGZSA-N 2 1 382.504 3.988 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000848914897 1057417575 /nfs/dbraw/zinc/41/75/75/1057417575.db2.gz UPWKDIXNDISBNZ-MDZDMXLPSA-N 2 1 394.515 3.954 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000849002976 1057511506 /nfs/dbraw/zinc/51/15/06/1057511506.db2.gz PEGWDVZZEQHLCD-OAHLLOKOSA-N 2 1 377.945 3.562 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000849063566 1057573991 /nfs/dbraw/zinc/57/39/91/1057573991.db2.gz JVOVDXYZDGKWHS-GOSISDBHSA-N 2 1 382.508 3.552 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000849088274 1057588928 /nfs/dbraw/zinc/58/89/28/1057588928.db2.gz CBVZLVRYECLBNM-MSOLQXFVSA-N 2 1 397.592 3.514 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001440586825 1058540382 /nfs/dbraw/zinc/54/03/82/1058540382.db2.gz JWIKOFOLGHIKRX-DHIUTWEWSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccsc1 ZINC001441003958 1058672745 /nfs/dbraw/zinc/67/27/45/1058672745.db2.gz HPYCFAQYQSZLPR-LEWJYISDSA-N 2 1 397.588 3.769 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001442674025 1058992542 /nfs/dbraw/zinc/99/25/42/1058992542.db2.gz XABWBVMZPYWBOL-SKWRMQMOSA-N 2 1 383.580 3.730 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)CC1 ZINC001339175642 1058993732 /nfs/dbraw/zinc/99/37/32/1058993732.db2.gz XVOHJLUETQAYEM-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001445530093 1059556054 /nfs/dbraw/zinc/55/60/54/1059556054.db2.gz XOEFBGIDCZLPBC-XPWALMASSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445530093 1059556074 /nfs/dbraw/zinc/55/60/74/1059556074.db2.gz XOEFBGIDCZLPBC-XPWALMASSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445530093 1059556091 /nfs/dbraw/zinc/55/60/91/1059556091.db2.gz XOEFBGIDCZLPBC-XPWALMASSA-N 2 1 383.580 3.622 20 0 GHADMP CCCN(C(=O)c1csc([C@@H](C)[NH3+])n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001340044090 1059647276 /nfs/dbraw/zinc/64/72/76/1059647276.db2.gz GDPUUKFFBFTJCI-AEFFLSMTSA-N 2 1 386.565 3.680 20 0 GHADMP CCCN(C(=O)c1csc([C@@H](C)[NH3+])n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001340044090 1059647284 /nfs/dbraw/zinc/64/72/84/1059647284.db2.gz GDPUUKFFBFTJCI-AEFFLSMTSA-N 2 1 386.565 3.680 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3N3CC[NH+](C)CC3)CC2)C1 ZINC001340530633 1059966304 /nfs/dbraw/zinc/96/63/04/1059966304.db2.gz YZQMERDCGJYPTN-NFBKMPQASA-N 3 1 384.612 3.571 20 0 GHADMP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001449828052 1060469240 /nfs/dbraw/zinc/46/92/40/1060469240.db2.gz VMRYXOYBSBSAGA-JOCHJYFZSA-N 2 1 385.596 3.868 20 0 GHADMP [NH3+]CC[C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c2ccccc21 ZINC001341526603 1060731003 /nfs/dbraw/zinc/73/10/03/1060731003.db2.gz RRIKPNBOXOQYLO-RBUKOAKNSA-N 2 1 392.547 3.972 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@@H](c2ccccc2)CC1=O ZINC001341618461 1060778088 /nfs/dbraw/zinc/77/80/88/1060778088.db2.gz QPDQDQMLBILTHC-QFIPXVFZSA-N 2 1 392.547 3.594 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001454122559 1061615200 /nfs/dbraw/zinc/61/52/00/1061615200.db2.gz SUGNSIHWZJEVPK-GOTSBHOMSA-N 2 1 397.607 3.915 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC001347514952 1062458391 /nfs/dbraw/zinc/45/83/91/1062458391.db2.gz NXYZXZSQAJUDJM-TWNQGAOESA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC001347514952 1062458403 /nfs/dbraw/zinc/45/84/03/1062458403.db2.gz NXYZXZSQAJUDJM-TWNQGAOESA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC001347514952 1062458414 /nfs/dbraw/zinc/45/84/14/1062458414.db2.gz NXYZXZSQAJUDJM-TWNQGAOESA-N 2 1 398.595 3.696 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457782414 1063363772 /nfs/dbraw/zinc/36/37/72/1063363772.db2.gz YAUSKSYFBSQGIZ-LSQMVHIFSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457782414 1063363796 /nfs/dbraw/zinc/36/37/96/1063363796.db2.gz YAUSKSYFBSQGIZ-LSQMVHIFSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457782414 1063363813 /nfs/dbraw/zinc/36/38/13/1063363813.db2.gz YAUSKSYFBSQGIZ-LSQMVHIFSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001437584645 1063902636 /nfs/dbraw/zinc/90/26/36/1063902636.db2.gz IDHIFLAFPACLFU-DHIUTWEWSA-N 2 1 391.559 3.808 20 0 GHADMP Cc1ccccc1NC(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC001349922472 1063943445 /nfs/dbraw/zinc/94/34/45/1063943445.db2.gz HNXJWDHDVBYLGC-UHFFFAOYSA-N 2 1 396.535 3.621 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)cc2F)CC1)CC1CC1 ZINC001459821568 1064232164 /nfs/dbraw/zinc/23/21/64/1064232164.db2.gz VWZIOKNFUZXZGX-UHFFFAOYSA-N 2 1 376.516 3.946 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905722 1064265263 /nfs/dbraw/zinc/26/52/63/1064265263.db2.gz LPYAZWMUPSFIRC-UPVQGACJSA-N 2 1 379.548 3.503 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001463402958 1064317762 /nfs/dbraw/zinc/31/77/62/1064317762.db2.gz XCFOAOHUTUTXTR-GSPCLOLRSA-N 2 1 383.580 3.538 20 0 GHADMP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC001463983421 1064753582 /nfs/dbraw/zinc/75/35/82/1064753582.db2.gz UYDNRPFSJFRGJE-NHCUHLMSSA-N 2 1 397.588 3.516 20 0 GHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(Cl)cc1 ZINC000847331563 1065072198 /nfs/dbraw/zinc/07/21/98/1065072198.db2.gz KMHWIWBFLOGEMI-UHFFFAOYSA-N 2 1 377.960 3.889 20 0 GHADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001465004835 1065320829 /nfs/dbraw/zinc/32/08/29/1065320829.db2.gz YURHWLOBLHINLZ-XXBNENTESA-N 2 1 395.547 3.593 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001465484888 1065656596 /nfs/dbraw/zinc/65/65/96/1065656596.db2.gz RKBNKDSYZRYGFU-OFNKIYASSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001465484888 1065656609 /nfs/dbraw/zinc/65/66/09/1065656609.db2.gz RKBNKDSYZRYGFU-OFNKIYASSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001465484888 1065656612 /nfs/dbraw/zinc/65/66/12/1065656612.db2.gz RKBNKDSYZRYGFU-OFNKIYASSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+](CC(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1)C1CCC1 ZINC001465503533 1065672229 /nfs/dbraw/zinc/67/22/29/1065672229.db2.gz DKDIWIYHASMPDY-UHFFFAOYSA-N 2 1 379.548 3.632 20 0 GHADMP C[NH+](CCN(Cc1ccccc1)C(=O)C[N@H+](C)C1CCC1)Cc1ccccc1 ZINC001465503533 1065672238 /nfs/dbraw/zinc/67/22/38/1065672238.db2.gz DKDIWIYHASMPDY-UHFFFAOYSA-N 2 1 379.548 3.632 20 0 GHADMP C[NH+](CCN(Cc1ccccc1)C(=O)C[N@@H+](C)C1CCC1)Cc1ccccc1 ZINC001465503533 1065672247 /nfs/dbraw/zinc/67/22/47/1065672247.db2.gz DKDIWIYHASMPDY-UHFFFAOYSA-N 2 1 379.548 3.632 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001466083155 1065976827 /nfs/dbraw/zinc/97/68/27/1065976827.db2.gz VEMCKHHFZVEPJY-WOJBJXKFSA-N 2 1 379.548 3.526 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)cc1 ZINC001357351150 1067058777 /nfs/dbraw/zinc/05/87/77/1067058777.db2.gz OUDAYWXPWPKLMW-IYERYRBDSA-N 2 1 385.552 3.547 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001477579530 1078474756 /nfs/dbraw/zinc/47/47/56/1078474756.db2.gz YEHNTTBAJAIJFZ-AQNXPRMDSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC001467299799 1067208836 /nfs/dbraw/zinc/20/88/36/1067208836.db2.gz OCOXMMCIHWZARX-NMNUPHIUSA-N 2 1 397.538 3.988 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC001467299799 1067208847 /nfs/dbraw/zinc/20/88/47/1067208847.db2.gz OCOXMMCIHWZARX-NMNUPHIUSA-N 2 1 397.538 3.988 20 0 GHADMP C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001467629728 1067391040 /nfs/dbraw/zinc/39/10/40/1067391040.db2.gz IWXZYSSRCUDKRC-XLIONFOSSA-N 2 1 392.975 3.508 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001467692610 1067424408 /nfs/dbraw/zinc/42/44/08/1067424408.db2.gz PBXPBEJPODAUFJ-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001468015023 1067565683 /nfs/dbraw/zinc/56/56/83/1067565683.db2.gz GNJLITGIBWFBOL-AVRDEDQJSA-N 2 1 398.526 3.517 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC001468022519 1067569521 /nfs/dbraw/zinc/56/95/21/1067569521.db2.gz NCICFXBVKISDSG-FCHUYYIVSA-N 2 1 380.536 3.555 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC001468022519 1067569528 /nfs/dbraw/zinc/56/95/28/1067569528.db2.gz NCICFXBVKISDSG-FCHUYYIVSA-N 2 1 380.536 3.555 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC001468360292 1067702806 /nfs/dbraw/zinc/70/28/06/1067702806.db2.gz UJYDBVKQZPTDCP-FGZHOGPDSA-N 2 1 397.588 3.792 20 0 GHADMP C[C@H](CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1)[NH+](C)C1CC1 ZINC001468656346 1067808425 /nfs/dbraw/zinc/80/84/25/1067808425.db2.gz YETWNLMUBRXUQL-LJQANCHMSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1)[N@H+](C)C1CC1 ZINC001468656346 1067808459 /nfs/dbraw/zinc/80/84/59/1067808459.db2.gz YETWNLMUBRXUQL-LJQANCHMSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1)[N@@H+](C)C1CC1 ZINC001468656346 1067808471 /nfs/dbraw/zinc/80/84/71/1067808471.db2.gz YETWNLMUBRXUQL-LJQANCHMSA-N 2 1 386.584 3.603 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC001468788753 1067883688 /nfs/dbraw/zinc/88/36/88/1067883688.db2.gz YECXECZVGQMGOQ-PZJWPPBQSA-N 2 1 380.621 3.793 20 0 GHADMP CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC001469351728 1068118221 /nfs/dbraw/zinc/11/82/21/1068118221.db2.gz MJQLEFZHFDXTSB-HJNYFJLDSA-N 2 1 388.600 3.878 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCCCC2)CC[N@H+]1C ZINC001478064354 1078699318 /nfs/dbraw/zinc/69/93/18/1078699318.db2.gz NSZFLVXRGIGEQE-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)CC[NH+]1C ZINC001478064354 1078699319 /nfs/dbraw/zinc/69/93/19/1078699319.db2.gz NSZFLVXRGIGEQE-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)CC[NH+]1C ZINC001478064354 1078699321 /nfs/dbraw/zinc/69/93/21/1078699321.db2.gz NSZFLVXRGIGEQE-TZIWHRDSSA-N 2 1 386.584 3.603 20 0 GHADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001460240786 1068880315 /nfs/dbraw/zinc/88/03/15/1068880315.db2.gz VEYGYPDVYQHQRF-FGZHOGPDSA-N 2 1 383.511 3.690 20 0 GHADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001460240786 1068880324 /nfs/dbraw/zinc/88/03/24/1068880324.db2.gz VEYGYPDVYQHQRF-FGZHOGPDSA-N 2 1 383.511 3.690 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC001460688161 1069086817 /nfs/dbraw/zinc/08/68/17/1069086817.db2.gz FZWAIKNUDJAFQJ-UHFFFAOYSA-N 2 1 383.536 3.908 20 0 GHADMP CCN(C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)c1nc2ccccc2s1 ZINC001460687002 1069087315 /nfs/dbraw/zinc/08/73/15/1069087315.db2.gz BQMMHJIYMAGTBN-UHFFFAOYSA-N 2 1 388.581 3.847 20 0 GHADMP CCN(C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1)c1nc2ccccc2s1 ZINC001460687002 1069087318 /nfs/dbraw/zinc/08/73/18/1069087318.db2.gz BQMMHJIYMAGTBN-UHFFFAOYSA-N 2 1 388.581 3.847 20 0 GHADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001470795933 1072743553 /nfs/dbraw/zinc/74/35/53/1072743553.db2.gz GTDYETUIKJYKFM-RTWAWAEBSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001470795935 1072743871 /nfs/dbraw/zinc/74/38/71/1072743871.db2.gz GTDYETUIKJYKFM-SFTDATJTSA-N 2 1 392.632 3.793 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CCC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC001472547671 1073544511 /nfs/dbraw/zinc/54/45/11/1073544511.db2.gz FSVJNMIQLAOGNZ-CRAIPNDOSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+]1CCC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC001472547671 1073544524 /nfs/dbraw/zinc/54/45/24/1073544524.db2.gz FSVJNMIQLAOGNZ-CRAIPNDOSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CCC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC001472547673 1073545100 /nfs/dbraw/zinc/54/51/00/1073545100.db2.gz FSVJNMIQLAOGNZ-QAPCUYQASA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1CCC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC001472547673 1073545113 /nfs/dbraw/zinc/54/51/13/1073545113.db2.gz FSVJNMIQLAOGNZ-QAPCUYQASA-N 2 1 385.474 3.689 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001473631415 1074059051 /nfs/dbraw/zinc/05/90/51/1074059051.db2.gz SJLCAWINLLPSCL-NJDAHSKKSA-N 2 1 387.568 3.854 20 0 GHADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(Cl)c1 ZINC001473670579 1074077307 /nfs/dbraw/zinc/07/73/07/1074077307.db2.gz LKXULMZMTYTJHH-UHFFFAOYSA-N 2 1 379.976 3.787 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC001473936421 1074211429 /nfs/dbraw/zinc/21/14/29/1074211429.db2.gz UOVMIVNLDKGJAO-UHFFFAOYSA-N 2 1 377.576 3.993 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001474387405 1074379197 /nfs/dbraw/zinc/37/91/97/1074379197.db2.gz PNGCABRLDLEIFU-VQSBLYBRSA-N 2 1 399.579 3.932 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC001474470748 1074421882 /nfs/dbraw/zinc/42/18/82/1074421882.db2.gz OSMULOPKGMLFMO-AGILITTLSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1C[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC001474470748 1074421885 /nfs/dbraw/zinc/42/18/85/1074421885.db2.gz OSMULOPKGMLFMO-AGILITTLSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1C[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC001474470748 1074421891 /nfs/dbraw/zinc/42/18/91/1074421891.db2.gz OSMULOPKGMLFMO-AGILITTLSA-N 2 1 386.580 3.805 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001495489525 1079410651 /nfs/dbraw/zinc/41/06/51/1079410651.db2.gz TUMNSQHUSWVDLR-UYAOXDASSA-N 2 1 390.620 3.633 20 0 GHADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[nH+]1 ZINC000737245295 599169396 /nfs/dbraw/zinc/16/93/96/599169396.db2.gz NBPUYVDNOOMTGN-INIZCTEOSA-N 2 1 377.496 3.516 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736266883 598491699 /nfs/dbraw/zinc/49/16/99/598491699.db2.gz PTYPLGPUFGHYJU-QGZVFWFLSA-N 2 1 376.508 3.531 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792968 721492717 /nfs/dbraw/zinc/49/27/17/721492717.db2.gz WNYYCVBGMMZGTB-UHFFFAOYSA-N 2 1 375.520 3.849 20 0 GHADMP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(OC(C)C)cc[nH+]2)CC1 ZINC001165021219 721841596 /nfs/dbraw/zinc/84/15/96/721841596.db2.gz IIBFIQQPCZSCBQ-UHFFFAOYSA-N 2 1 399.535 3.987 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000647544561 837466933 /nfs/dbraw/zinc/46/69/33/837466933.db2.gz WUABKVHYJLSWOS-KDURUIRLSA-N 2 1 376.504 3.872 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543468 837472897 /nfs/dbraw/zinc/47/28/97/837472897.db2.gz ODVQBDJJQQKGOU-JKSUJKDBSA-N 2 1 391.357 3.617 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2C)cc1 ZINC000647543418 837472939 /nfs/dbraw/zinc/47/29/39/837472939.db2.gz NBEHECQTERDZNX-FGZHOGPDSA-N 2 1 396.579 3.768 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176917039 837596126 /nfs/dbraw/zinc/59/61/26/837596126.db2.gz NUKDCCUMTFYUGD-GIVPXCGWSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000176917039 837596133 /nfs/dbraw/zinc/59/61/33/837596133.db2.gz NUKDCCUMTFYUGD-GIVPXCGWSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000176917039 837596139 /nfs/dbraw/zinc/59/61/39/837596139.db2.gz NUKDCCUMTFYUGD-GIVPXCGWSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000176917039 837596147 /nfs/dbraw/zinc/59/61/47/837596147.db2.gz NUKDCCUMTFYUGD-GIVPXCGWSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655691539 837672153 /nfs/dbraw/zinc/67/21/53/837672153.db2.gz UMYDUONSOOJNHH-YKSBVNFPSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691539 837672159 /nfs/dbraw/zinc/67/21/59/837672159.db2.gz UMYDUONSOOJNHH-YKSBVNFPSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691539 837672165 /nfs/dbraw/zinc/67/21/65/837672165.db2.gz UMYDUONSOOJNHH-YKSBVNFPSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691539 837672171 /nfs/dbraw/zinc/67/21/71/837672171.db2.gz UMYDUONSOOJNHH-YKSBVNFPSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691539 837672178 /nfs/dbraw/zinc/67/21/78/837672178.db2.gz UMYDUONSOOJNHH-YKSBVNFPSA-N 2 1 385.596 3.652 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000655721540 837735716 /nfs/dbraw/zinc/73/57/16/837735716.db2.gz OZAPFGUMIPPAFE-QZTJIDSGSA-N 2 1 386.458 3.706 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Sc1ccc(Br)cc1 ZINC000655727055 837746441 /nfs/dbraw/zinc/74/64/41/837746441.db2.gz IKCYAQLSBYFASB-WMLDXEAASA-N 2 1 399.398 3.773 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000557262742 834371764 /nfs/dbraw/zinc/37/17/64/834371764.db2.gz WENJRHQKOAUCCI-DYESRHJHSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000557262742 834371778 /nfs/dbraw/zinc/37/17/78/834371778.db2.gz WENJRHQKOAUCCI-DYESRHJHSA-N 2 1 385.939 3.713 20 0 GHADMP Clc1cccc(-n2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)nn2)c1Cl ZINC000647483027 834419092 /nfs/dbraw/zinc/41/90/92/834419092.db2.gz SCDWGOOJOHYLMM-MRXNPFEDSA-N 2 1 380.323 3.538 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1Br ZINC000655734880 837775286 /nfs/dbraw/zinc/77/52/86/837775286.db2.gz OTFRWCYXAFUAIJ-INIZCTEOSA-N 2 1 381.358 3.570 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000650705400 834522213 /nfs/dbraw/zinc/52/22/13/834522213.db2.gz GFHQEWXAKZLUEB-AKFKNWHVSA-N 2 1 380.532 3.984 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)C1 ZINC000650707982 834547692 /nfs/dbraw/zinc/54/76/92/834547692.db2.gz RCJXEHVJGDXJDZ-BSIFCXSSSA-N 2 1 378.944 3.847 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000655735177 837784901 /nfs/dbraw/zinc/78/49/01/837784901.db2.gz RWRZMXJNDVTMRG-QGZVFWFLSA-N 2 1 395.385 3.960 20 0 GHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000145665510 834816244 /nfs/dbraw/zinc/81/62/44/834816244.db2.gz XPEJDNIUEVPPEO-JOCHJYFZSA-N 2 1 397.588 3.741 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000472299086 834915528 /nfs/dbraw/zinc/91/55/28/834915528.db2.gz XNANWEGAKKEJFK-CRAIPNDOSA-N 2 1 392.931 3.884 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000472299086 834915539 /nfs/dbraw/zinc/91/55/39/834915539.db2.gz XNANWEGAKKEJFK-CRAIPNDOSA-N 2 1 392.931 3.884 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@H]3C[NH+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000685401600 834982898 /nfs/dbraw/zinc/98/28/98/834982898.db2.gz ACJKAHPDXVGWPP-KNQAVFIVSA-N 2 1 384.524 3.894 20 0 GHADMP CCC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000685401600 834982902 /nfs/dbraw/zinc/98/29/02/834982902.db2.gz ACJKAHPDXVGWPP-KNQAVFIVSA-N 2 1 384.524 3.894 20 0 GHADMP CCC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000685401600 834982908 /nfs/dbraw/zinc/98/29/08/834982908.db2.gz ACJKAHPDXVGWPP-KNQAVFIVSA-N 2 1 384.524 3.894 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000278430266 835070802 /nfs/dbraw/zinc/07/08/02/835070802.db2.gz UTYFQYKLCWCDAD-UHFFFAOYSA-N 2 1 381.520 3.915 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c(C(C)C)cc1Cl ZINC000583866707 835174091 /nfs/dbraw/zinc/17/40/91/835174091.db2.gz DSGMDPQOMDPSKM-GOSISDBHSA-N 2 1 380.960 3.728 20 0 GHADMP CCOC(=O)c1c[nH]c2cc(N3CC4(CC[NH2+]CC4)c4ccccc43)[nH+]cc21 ZINC001167070682 835191202 /nfs/dbraw/zinc/19/12/02/835191202.db2.gz LWFWNDZGGWVJNR-UHFFFAOYSA-N 2 1 376.460 3.513 20 0 GHADMP C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274804082 835420529 /nfs/dbraw/zinc/42/05/29/835420529.db2.gz WAEPKZRYEJZOIF-WPNHWPQCSA-N 2 1 379.548 3.712 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000612052595 835439195 /nfs/dbraw/zinc/43/91/95/835439195.db2.gz CRZTZIQMTAWMLE-UHFFFAOYSA-N 2 1 396.579 3.644 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000612052595 835439203 /nfs/dbraw/zinc/43/92/03/835439203.db2.gz CRZTZIQMTAWMLE-UHFFFAOYSA-N 2 1 396.579 3.644 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OC ZINC000658141266 835452988 /nfs/dbraw/zinc/45/29/88/835452988.db2.gz WIGAIULJOOGCGU-JBYIUTFZSA-N 2 1 398.547 3.552 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000133331003 835519465 /nfs/dbraw/zinc/51/94/65/835519465.db2.gz YCPITZQHLLHNBF-AVRDEDQJSA-N 2 1 381.520 3.527 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000133331003 835519469 /nfs/dbraw/zinc/51/94/69/835519469.db2.gz YCPITZQHLLHNBF-AVRDEDQJSA-N 2 1 381.520 3.527 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C3CCC(F)(F)CC3)CC2)CC1 ZINC000655340543 835550733 /nfs/dbraw/zinc/55/07/33/835550733.db2.gz GNLJUXDLNJYULN-INIZCTEOSA-N 2 1 385.543 3.513 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000448212771 835787351 /nfs/dbraw/zinc/78/73/51/835787351.db2.gz JURIXOXPOJHAAY-QFIPXVFZSA-N 2 1 388.600 3.696 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)CC1 ZINC000584329665 835879064 /nfs/dbraw/zinc/87/90/64/835879064.db2.gz FKXRFRWGNMDGHN-OAQYLSRUSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000584329665 835879071 /nfs/dbraw/zinc/87/90/71/835879071.db2.gz FKXRFRWGNMDGHN-OAQYLSRUSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000584329665 835879078 /nfs/dbraw/zinc/87/90/78/835879078.db2.gz FKXRFRWGNMDGHN-OAQYLSRUSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H](c1cccc(F)c1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471224961 836006973 /nfs/dbraw/zinc/00/69/73/836006973.db2.gz XRAOVSDOBSKMAO-LJQANCHMSA-N 2 1 397.538 3.847 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092565084 844114876 /nfs/dbraw/zinc/11/48/76/844114876.db2.gz WVAZROZDSHPDKK-NSHDSACASA-N 2 1 388.256 3.981 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655471827 836013908 /nfs/dbraw/zinc/01/39/08/836013908.db2.gz YWAHQQXZKDYRAG-LDBRAYGESA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655471827 836013914 /nfs/dbraw/zinc/01/39/14/836013914.db2.gz YWAHQQXZKDYRAG-LDBRAYGESA-N 2 1 393.934 3.509 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000177251670 836174264 /nfs/dbraw/zinc/17/42/64/836174264.db2.gz JTEUZGGEUCAEQM-UHFFFAOYSA-N 2 1 388.487 3.809 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000246939044 836382325 /nfs/dbraw/zinc/38/23/25/836382325.db2.gz QSRUPYYXWZOJGJ-SFGWALBWSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000246939044 836382336 /nfs/dbraw/zinc/38/23/36/836382336.db2.gz QSRUPYYXWZOJGJ-SFGWALBWSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)[NH+]1CCc2ccccc2C1 ZINC000246939044 836382348 /nfs/dbraw/zinc/38/23/48/836382348.db2.gz QSRUPYYXWZOJGJ-SFGWALBWSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCc2ccccc2C1 ZINC000246939044 836382358 /nfs/dbraw/zinc/38/23/58/836382358.db2.gz QSRUPYYXWZOJGJ-SFGWALBWSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414180990 836415641 /nfs/dbraw/zinc/41/56/41/836415641.db2.gz MGKYJCFHRGZGNB-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000471272174 836699165 /nfs/dbraw/zinc/69/91/65/836699165.db2.gz HXRZSZYHVHPHRQ-HSZRJFAPSA-N 2 1 391.559 3.924 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Br)c(F)c3)(C1)CCC2 ZINC001279239097 836706316 /nfs/dbraw/zinc/70/63/16/836706316.db2.gz DYHUJMWSCFQKQN-RBUKOAKNSA-N 2 1 398.364 3.674 20 0 GHADMP CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000413920557 836796848 /nfs/dbraw/zinc/79/68/48/836796848.db2.gz VWTSZBLAQHJKNG-OAQYLSRUSA-N 2 1 387.499 3.615 20 0 GHADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000570394660 836809009 /nfs/dbraw/zinc/80/90/09/836809009.db2.gz HHLJMLDLOMZTQC-QFIPXVFZSA-N 2 1 377.532 3.510 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414287254 836908483 /nfs/dbraw/zinc/90/84/83/836908483.db2.gz ODCSIUJABUYZPH-MRXNPFEDSA-N 2 1 392.590 3.673 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)C1 ZINC000414287254 836908496 /nfs/dbraw/zinc/90/84/96/836908496.db2.gz ODCSIUJABUYZPH-MRXNPFEDSA-N 2 1 392.590 3.673 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175646051 836925626 /nfs/dbraw/zinc/92/56/26/836925626.db2.gz FGCBQCJBBVGXQO-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC000175646051 836925635 /nfs/dbraw/zinc/92/56/35/836925635.db2.gz FGCBQCJBBVGXQO-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC000175646051 836925643 /nfs/dbraw/zinc/92/56/43/836925643.db2.gz FGCBQCJBBVGXQO-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H](C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000685826769 837045066 /nfs/dbraw/zinc/04/50/66/837045066.db2.gz JUGJVOXZIOAKFG-HSZRJFAPSA-N 2 1 394.563 3.678 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000473350946 844242783 /nfs/dbraw/zinc/24/27/83/844242783.db2.gz OTQWWJGUVZFZKZ-IBGZPJMESA-N 2 1 399.501 3.906 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000473350946 844242790 /nfs/dbraw/zinc/24/27/90/844242790.db2.gz OTQWWJGUVZFZKZ-IBGZPJMESA-N 2 1 399.501 3.906 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000431731597 837209153 /nfs/dbraw/zinc/20/91/53/837209153.db2.gz ZLGOUTJXGVKBNV-CTNGQTDRSA-N 2 1 387.568 3.603 20 0 GHADMP c1nc2ccc(C[NH2+]CCCOC3CC[NH+](Cc4ccccc4)CC3)cc2[nH]1 ZINC000531142316 837288428 /nfs/dbraw/zinc/28/84/28/837288428.db2.gz XEYLXPYKEMTHPE-UHFFFAOYSA-N 2 1 378.520 3.724 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(n2ccnc2)CC1 ZINC000103303314 837300800 /nfs/dbraw/zinc/30/08/00/837300800.db2.gz DAFPYFXNRHVJTC-IBGZPJMESA-N 2 1 395.551 3.804 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2)cc1 ZINC000030907107 837349288 /nfs/dbraw/zinc/34/92/88/837349288.db2.gz UGEKUXASWRYWNX-GOSISDBHSA-N 2 1 379.504 3.521 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000052120055 844279052 /nfs/dbraw/zinc/27/90/52/844279052.db2.gz FINYKAPPLJILJT-UHFFFAOYSA-N 2 1 377.517 3.955 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCCC1)C2 ZINC000377942026 838182472 /nfs/dbraw/zinc/18/24/72/838182472.db2.gz LUECKMGWUOVUPU-PXNSSMCTSA-N 2 1 380.536 3.534 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415889959 838235781 /nfs/dbraw/zinc/23/57/81/838235781.db2.gz CTLQFGJFJYMMPJ-GOSISDBHSA-N 2 1 384.568 3.841 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415898546 838245713 /nfs/dbraw/zinc/24/57/13/838245713.db2.gz HPXHCEMQGRGEMW-SFHVURJKSA-N 2 1 380.536 3.960 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000415930225 838287608 /nfs/dbraw/zinc/28/76/08/838287608.db2.gz ZTXBBNYQWXUOKZ-FCHUYYIVSA-N 2 1 394.519 3.514 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000415935685 838289055 /nfs/dbraw/zinc/28/90/55/838289055.db2.gz VCTKHWZUTPSCQF-IBGZPJMESA-N 2 1 380.536 3.782 20 0 GHADMP CCN(C(=O)Nc1ccc(OCC[NH3+])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415949096 838304736 /nfs/dbraw/zinc/30/47/36/838304736.db2.gz VTKPNFOWMPJVDN-RXVVDRJESA-N 2 1 396.535 3.713 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415962122 838320264 /nfs/dbraw/zinc/32/02/64/838320264.db2.gz WMOMBOILJUFIIY-GHTZIAJQSA-N 2 1 380.536 3.971 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000275693633 838435213 /nfs/dbraw/zinc/43/52/13/838435213.db2.gz RQKLEMBQUCZOSP-UHFFFAOYSA-N 2 1 380.536 3.531 20 0 GHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)CC3 ZINC000123342567 838511659 /nfs/dbraw/zinc/51/16/59/838511659.db2.gz IMPNEVJXMBERQM-SFHVURJKSA-N 2 1 385.552 3.513 20 0 GHADMP Cc1[nH+]cn(CCCCc2noc(-c3ccccc3OCC[NH+](C)C)n2)c1C ZINC000656038705 838549171 /nfs/dbraw/zinc/54/91/71/838549171.db2.gz ADTLFQNHHQLXCU-UHFFFAOYSA-N 2 1 383.496 3.513 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000118879830 838753596 /nfs/dbraw/zinc/75/35/96/838753596.db2.gz VQYXKXJFWFKDSW-KXBFYZLASA-N 2 1 397.485 3.689 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cncc(F)c1 ZINC000163967769 838872720 /nfs/dbraw/zinc/87/27/20/838872720.db2.gz JZEFFHZEPMFVPH-QGZVFWFLSA-N 2 1 387.499 3.561 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000892737792 838933719 /nfs/dbraw/zinc/93/37/19/838933719.db2.gz KWHFYDZUJNGASZ-KURKYZTESA-N 2 1 393.597 3.853 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000892737792 838933727 /nfs/dbraw/zinc/93/37/27/838933727.db2.gz KWHFYDZUJNGASZ-KURKYZTESA-N 2 1 393.597 3.853 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000377132580 839027621 /nfs/dbraw/zinc/02/76/21/839027621.db2.gz XUPWNNMCZQRVRF-UDIRQSBCSA-N 2 1 384.564 3.605 20 0 GHADMP Brc1ccc(-n2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415041089 839105371 /nfs/dbraw/zinc/10/53/71/839105371.db2.gz KWCYMUQQVCEBGW-APWZRJJASA-N 2 1 389.341 3.599 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415041089 839105380 /nfs/dbraw/zinc/10/53/80/839105380.db2.gz KWCYMUQQVCEBGW-APWZRJJASA-N 2 1 389.341 3.599 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCc3ccccc3C2)cc1 ZINC000189168756 839116474 /nfs/dbraw/zinc/11/64/74/839116474.db2.gz QYRSYWXAEYXPPZ-GOSISDBHSA-N 2 1 388.515 3.806 20 0 GHADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415064507 839150368 /nfs/dbraw/zinc/15/03/68/839150368.db2.gz CSTOECIHJFXSHP-FQEVSTJZSA-N 2 1 398.576 3.619 20 0 GHADMP O=C(CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298160 839208676 /nfs/dbraw/zinc/20/86/76/839208676.db2.gz PBBPZOMMJDTCGV-WOJBJXKFSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298160 839208690 /nfs/dbraw/zinc/20/86/90/839208690.db2.gz PBBPZOMMJDTCGV-WOJBJXKFSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000580298160 839208701 /nfs/dbraw/zinc/20/87/01/839208701.db2.gz PBBPZOMMJDTCGV-WOJBJXKFSA-N 2 1 381.495 3.608 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CCCO1 ZINC000415102974 839208859 /nfs/dbraw/zinc/20/88/59/839208859.db2.gz FDUFSXZIXKTTES-QGZVFWFLSA-N 2 1 378.875 3.608 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CCCO1 ZINC000415102974 839208872 /nfs/dbraw/zinc/20/88/72/839208872.db2.gz FDUFSXZIXKTTES-QGZVFWFLSA-N 2 1 378.875 3.608 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)CC1 ZINC000047791945 839211313 /nfs/dbraw/zinc/21/13/13/839211313.db2.gz LGLKIFKWZJZWMW-NRFANRHFSA-N 2 1 398.551 3.614 20 0 GHADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000622751915 839421733 /nfs/dbraw/zinc/42/17/33/839421733.db2.gz PIQZZIGGZQVTFB-CTNGQTDRSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000622751915 839421743 /nfs/dbraw/zinc/42/17/43/839421743.db2.gz PIQZZIGGZQVTFB-CTNGQTDRSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000622751915 839421749 /nfs/dbraw/zinc/42/17/49/839421749.db2.gz PIQZZIGGZQVTFB-CTNGQTDRSA-N 2 1 387.543 3.561 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@H](C[NH+](C)C)C4)cc3)nc12 ZINC000125535679 839516991 /nfs/dbraw/zinc/51/69/91/839516991.db2.gz HBKYJJHZNYQJMM-FQEVSTJZSA-N 2 1 378.520 3.605 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@H](C[NH+](C)C)C4)cc3)nc12 ZINC000125535679 839516997 /nfs/dbraw/zinc/51/69/97/839516997.db2.gz HBKYJJHZNYQJMM-FQEVSTJZSA-N 2 1 378.520 3.605 20 0 GHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431894378 839531271 /nfs/dbraw/zinc/53/12/71/839531271.db2.gz PNKYQISWTOZYLO-QHCPKHFHSA-N 2 1 383.580 3.607 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000549247356 839557105 /nfs/dbraw/zinc/55/71/05/839557105.db2.gz VRRVROUXGRNXPH-IBGZPJMESA-N 2 1 395.576 3.947 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000549247356 839557112 /nfs/dbraw/zinc/55/71/12/839557112.db2.gz VRRVROUXGRNXPH-IBGZPJMESA-N 2 1 395.576 3.947 20 0 GHADMP CC[NH2+][C@H](C)CNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000415406398 839732306 /nfs/dbraw/zinc/73/23/06/839732306.db2.gz OHMCQCVHPDJFRW-NQIIRXRSSA-N 2 1 390.572 3.586 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000377567952 839739122 /nfs/dbraw/zinc/73/91/22/839739122.db2.gz QNVKWEFCJBWGOS-SFHVURJKSA-N 2 1 375.900 3.679 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659848189 839762444 /nfs/dbraw/zinc/76/24/44/839762444.db2.gz YRWHCGZRSSOZIU-HXUWFJFHSA-N 2 1 375.582 3.933 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000580554480 839800686 /nfs/dbraw/zinc/80/06/86/839800686.db2.gz XCGOUTVYNUHYBL-IMFGXOCKSA-N 2 1 378.969 3.978 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000580554480 839800694 /nfs/dbraw/zinc/80/06/94/839800694.db2.gz XCGOUTVYNUHYBL-IMFGXOCKSA-N 2 1 378.969 3.978 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C(C)(F)F)cc3)CC2)CC1 ZINC000580569855 839824216 /nfs/dbraw/zinc/82/42/16/839824216.db2.gz HMNSZRFXXVMPEP-UHFFFAOYSA-N 2 1 393.522 3.611 20 0 GHADMP C[N@@H+](CC(=O)Nc1nc(CN2CCCC2)cs1)[C@H]1CCCc2ccccc21 ZINC000580612579 839898583 /nfs/dbraw/zinc/89/85/83/839898583.db2.gz SPGWSUOKGOFNAB-IBGZPJMESA-N 2 1 384.549 3.687 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000047970277 839902419 /nfs/dbraw/zinc/90/24/19/839902419.db2.gz WDBMDXXPQOPQHU-LJQANCHMSA-N 2 1 379.548 3.825 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000893009687 839905635 /nfs/dbraw/zinc/90/56/35/839905635.db2.gz FFXHRBNQWKLFOW-OAHLLOKOSA-N 2 1 395.569 3.686 20 0 GHADMP COC(=O)c1sc2c(c1Nc1c[nH+]cn1C)CC[N@@H+](Cc1ccccc1)C2 ZINC001211248451 839952581 /nfs/dbraw/zinc/95/25/81/839952581.db2.gz MPVAHGNHWOPQOQ-UHFFFAOYSA-N 2 1 382.489 3.570 20 0 GHADMP COC(=O)c1sc2c(c1Nc1c[nH+]cn1C)CC[N@H+](Cc1ccccc1)C2 ZINC001211248451 839952590 /nfs/dbraw/zinc/95/25/90/839952590.db2.gz MPVAHGNHWOPQOQ-UHFFFAOYSA-N 2 1 382.489 3.570 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000580679423 840002435 /nfs/dbraw/zinc/00/24/35/840002435.db2.gz WQJZFFOOVXIHGI-JOCHJYFZSA-N 2 1 386.584 3.729 20 0 GHADMP Clc1cccc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)co2)c1 ZINC000051959213 844497772 /nfs/dbraw/zinc/49/77/72/844497772.db2.gz SNXLWTFGOCAZNP-UHFFFAOYSA-N 2 1 375.900 3.539 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1OCc1ccccc1 ZINC000535809331 844512354 /nfs/dbraw/zinc/51/23/54/844512354.db2.gz RODGZZKXHBAYNK-CQOQZXRMSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1OCc1ccccc1 ZINC000535809331 844512357 /nfs/dbraw/zinc/51/23/57/844512357.db2.gz RODGZZKXHBAYNK-CQOQZXRMSA-N 2 1 380.532 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000195237664 840434165 /nfs/dbraw/zinc/43/41/65/840434165.db2.gz HFIMLDHLSBVUOZ-REWPJTCUSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652125275 840891837 /nfs/dbraw/zinc/89/18/37/840891837.db2.gz LFWDLSMNZRQBJI-QGZVFWFLSA-N 2 1 398.526 3.516 20 0 GHADMP [NH3+][C@H](c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656455689 840978857 /nfs/dbraw/zinc/97/88/57/840978857.db2.gz MXIQBKVCNFUKKX-UZLBHIALSA-N 2 1 385.874 3.566 20 0 GHADMP [NH3+][C@H](c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656455689 840978877 /nfs/dbraw/zinc/97/88/77/840978877.db2.gz MXIQBKVCNFUKKX-UZLBHIALSA-N 2 1 385.874 3.566 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000581309060 841053894 /nfs/dbraw/zinc/05/38/94/841053894.db2.gz UPIYVMSKLSQVPX-INIZCTEOSA-N 2 1 397.485 3.518 20 0 GHADMP CC[C@H](CNC(=O)c1ccc(C[NH+](CC)CC)o1)[N@H+]1CCc2ccccc2C1 ZINC000042726428 841247331 /nfs/dbraw/zinc/24/73/31/841247331.db2.gz GNDLDDBQFDFTJO-HXUWFJFHSA-N 2 1 383.536 3.688 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660305096 841248385 /nfs/dbraw/zinc/24/83/85/841248385.db2.gz JXTMEOGMDBMNOV-HJNYFJLDSA-N 2 1 385.596 3.771 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2ccccc2n1 ZINC000364171128 841292677 /nfs/dbraw/zinc/29/26/77/841292677.db2.gz AVTYOAWEEZPWHC-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(F)c(Cl)c43)cn2)CC1 ZINC000651679352 841317198 /nfs/dbraw/zinc/31/71/98/841317198.db2.gz XXWJLODMZLWSOP-GOSISDBHSA-N 2 1 388.918 3.793 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]([NH3+])c1ccccc1 ZINC000662715299 841456568 /nfs/dbraw/zinc/45/65/68/841456568.db2.gz MVNAOQPZDUGJSB-PMOQBDJRSA-N 2 1 391.559 3.741 20 0 GHADMP Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044932432 841534318 /nfs/dbraw/zinc/53/43/18/841534318.db2.gz NBSVUYKMZMJWKN-QFIPXVFZSA-N 2 1 388.515 3.709 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044932432 841534327 /nfs/dbraw/zinc/53/43/27/841534327.db2.gz NBSVUYKMZMJWKN-QFIPXVFZSA-N 2 1 388.515 3.709 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044932432 841534337 /nfs/dbraw/zinc/53/43/37/841534337.db2.gz NBSVUYKMZMJWKN-QFIPXVFZSA-N 2 1 388.515 3.709 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000581488987 841535048 /nfs/dbraw/zinc/53/50/48/841535048.db2.gz ITWPJYBAJGMGMQ-LEWJYISDSA-N 2 1 387.531 3.756 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000418148855 841571516 /nfs/dbraw/zinc/57/15/16/841571516.db2.gz AKYVZUOGMMFIAO-GCJKJVERSA-N 2 1 394.563 3.806 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000418188798 841625214 /nfs/dbraw/zinc/62/52/14/841625214.db2.gz USJKVVSSVMQTBZ-LJQANCHMSA-N 2 1 392.975 3.508 20 0 GHADMP Cc1cc(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(C)n1 ZINC000661333279 841633211 /nfs/dbraw/zinc/63/32/11/841633211.db2.gz NENDLGOAASKNHZ-QFIPXVFZSA-N 2 1 392.547 3.800 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000418248309 841699663 /nfs/dbraw/zinc/69/96/63/841699663.db2.gz RXNPIEYQIUQJNW-QFIPXVFZSA-N 2 1 394.563 3.821 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cc2cccc(Br)c2Cl)CC1 ZINC000662874057 841853382 /nfs/dbraw/zinc/85/33/82/841853382.db2.gz PATCXMGUVMKXHK-UHFFFAOYSA-N 2 1 375.738 3.645 20 0 GHADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000581655295 841904321 /nfs/dbraw/zinc/90/43/21/841904321.db2.gz LOXOERKVZQLQQL-QHCPKHFHSA-N 2 1 382.523 3.717 20 0 GHADMP C[C@@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H]1CCC[NH3+] ZINC000662892993 841915833 /nfs/dbraw/zinc/91/58/33/841915833.db2.gz IVHHKHFCCOQULC-SLYNCCJLSA-N 2 1 386.584 3.859 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785922 841923505 /nfs/dbraw/zinc/92/35/05/841923505.db2.gz NGZJXBAURCKVKT-HNNXBMFYSA-N 2 1 397.357 3.678 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000510447797 841983137 /nfs/dbraw/zinc/98/31/37/841983137.db2.gz ZAKDANQGGLMDAW-MOPGFXCFSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000303444687 841996908 /nfs/dbraw/zinc/99/69/08/841996908.db2.gz GQZHLOZBKMGWHX-SNWXZZBVSA-N 2 1 398.595 3.602 20 0 GHADMP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(Cl)c1 ZINC000662920836 842003747 /nfs/dbraw/zinc/00/37/47/842003747.db2.gz YWCUCEOLJLRLKI-TZIWHRDSSA-N 2 1 397.950 3.758 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001167823550 842007540 /nfs/dbraw/zinc/00/75/40/842007540.db2.gz DJPUOJXAASVXRH-JMJGKCIBSA-N 2 1 389.584 3.731 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1csc(C)n1 ZINC001167825931 842054391 /nfs/dbraw/zinc/05/43/91/842054391.db2.gz UUHPXRXVZCBNPT-PWIZWCRZSA-N 2 1 392.613 3.527 20 0 GHADMP C[N@H+]1CC[C@@H](C(=O)Nc2cccc(C3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000644849696 842121599 /nfs/dbraw/zinc/12/15/99/842121599.db2.gz SDVWTOSQKBZOLK-JOCHJYFZSA-N 2 1 377.532 3.956 20 0 GHADMP Cc1nc(COc2ccc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cc2)cs1 ZINC000432349048 842130708 /nfs/dbraw/zinc/13/07/08/842130708.db2.gz ULEVLMUVMGUSNP-KRWDZBQOSA-N 2 1 389.565 3.621 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432351675 842133295 /nfs/dbraw/zinc/13/32/95/842133295.db2.gz PLDDUZCIHGHGBT-MRXNPFEDSA-N 2 1 390.959 3.733 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432351675 842133302 /nfs/dbraw/zinc/13/33/02/842133302.db2.gz PLDDUZCIHGHGBT-MRXNPFEDSA-N 2 1 390.959 3.733 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CCCO1 ZINC000432352244 842146615 /nfs/dbraw/zinc/14/66/15/842146615.db2.gz WYEBGXDGSRODKI-LJQANCHMSA-N 2 1 386.511 3.995 20 0 GHADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OCc1ccccc1 ZINC000432360151 842175515 /nfs/dbraw/zinc/17/55/15/842175515.db2.gz UPIQTPPWJXNHCF-HXUWFJFHSA-N 2 1 398.547 3.865 20 0 GHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)cc1 ZINC000177980526 861291462 /nfs/dbraw/zinc/29/14/62/861291462.db2.gz LMHHUHNRFZJVFT-KNQAVFIVSA-N 2 1 395.547 3.627 20 0 GHADMP C(CCC[N@H+]1CC[C@H](N2CCCCC2)C1)CC[NH+]1CC[C@H](N2CCCCC2)C1 ZINC000730808012 861296036 /nfs/dbraw/zinc/29/60/36/861296036.db2.gz FGURUAHKLGBYFS-ZEQRLZLVSA-N 2 1 390.660 3.667 20 0 GHADMP C(CCC[N@@H+]1CC[C@H](N2CCCCC2)C1)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730808012 861296052 /nfs/dbraw/zinc/29/60/52/861296052.db2.gz FGURUAHKLGBYFS-ZEQRLZLVSA-N 2 1 390.660 3.667 20 0 GHADMP C(CCC[N@H+]1CC[C@H](N2CCCCC2)C1)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730808012 861296061 /nfs/dbraw/zinc/29/60/61/861296061.db2.gz FGURUAHKLGBYFS-ZEQRLZLVSA-N 2 1 390.660 3.667 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)C1 ZINC000652349581 842329680 /nfs/dbraw/zinc/32/96/80/842329680.db2.gz TXJOARMWPUHEIU-QMTMVMCOSA-N 2 1 375.513 3.668 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCOC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167839541 842340151 /nfs/dbraw/zinc/34/01/51/842340151.db2.gz ZOYGQWRKNZLMBG-IBGZPJMESA-N 2 1 399.620 3.845 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001167839589 842349638 /nfs/dbraw/zinc/34/96/38/842349638.db2.gz ANRSLFSCXOWQBN-ICSRJNTNSA-N 2 1 380.598 3.780 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000278954402 842373230 /nfs/dbraw/zinc/37/32/30/842373230.db2.gz LSKISEFQYPIDHR-NWDGAFQWSA-N 2 1 387.377 3.999 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC000581901502 842555940 /nfs/dbraw/zinc/55/59/40/842555940.db2.gz WVPXPBYOSMCPOZ-KGVIQGDOSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC000581901502 842555952 /nfs/dbraw/zinc/55/59/52/842555952.db2.gz WVPXPBYOSMCPOZ-KGVIQGDOSA-N 2 1 394.563 3.548 20 0 GHADMP CCc1ncnc2c1CC[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001168044048 861333201 /nfs/dbraw/zinc/33/32/01/861333201.db2.gz CXUYOSJLBVEKGT-RTBURBONSA-N 2 1 378.564 3.881 20 0 GHADMP C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@@H]([NH3+])c1ccccc1 ZINC000430702904 842814667 /nfs/dbraw/zinc/81/46/67/842814667.db2.gz DCRAGWAFZCNQPL-QUURXOELSA-N 2 1 391.559 3.837 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1Cl ZINC000510505598 842873101 /nfs/dbraw/zinc/87/31/01/842873101.db2.gz YMKGDIDCYRJURM-UZLBHIALSA-N 2 1 392.975 3.673 20 0 GHADMP CCC(CC)(CNC(=O)[C@@H]([NH3+])c1ccccc1OC)[NH2+][C@H](C)c1ccccc1 ZINC000430724530 842902273 /nfs/dbraw/zinc/90/22/73/842902273.db2.gz NVAKPZUXHNKPNT-UTKZUKDTSA-N 2 1 383.536 3.721 20 0 GHADMP [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)c1nc(C2([NH3+])CCCC2)no1 ZINC000663251432 842904762 /nfs/dbraw/zinc/90/47/62/842904762.db2.gz QHUSNYDDGHJMRW-IBGZPJMESA-N 2 1 378.476 3.619 20 0 GHADMP COc1ccc2c(c1)[C@@H]([N@H+](Cc1ccccc1)C[C@@H]1CCC3(C[NH2+]C3)O1)CCO2 ZINC000662254758 843020383 /nfs/dbraw/zinc/02/03/83/843020383.db2.gz LCHPGKKFHYWMHV-UNMCSNQZSA-N 2 1 394.515 3.542 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662291046 843080636 /nfs/dbraw/zinc/08/06/36/843080636.db2.gz NNWUBLMRSVKISQ-SJLPKXTDSA-N 2 1 377.960 3.995 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299037 843090756 /nfs/dbraw/zinc/09/07/56/843090756.db2.gz ZIHWFPAHJYKTOL-RDJZCZTQSA-N 2 1 393.959 3.696 20 0 GHADMP COc1cccc([C@H]2[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000548392799 843100352 /nfs/dbraw/zinc/10/03/52/843100352.db2.gz ZZTHIKCTJKKDTR-UPVQGACJSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc([C@H]2[C@@H](NC(=O)CC[N@H+](C)C3CCCCC3)CC[NH+]2C2CC2)c1 ZINC000548392799 843100354 /nfs/dbraw/zinc/10/03/54/843100354.db2.gz ZZTHIKCTJKKDTR-UPVQGACJSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc([C@H]2[C@@H](NC(=O)CC[N@@H+](C)C3CCCCC3)CC[NH+]2C2CC2)c1 ZINC000548392799 843100356 /nfs/dbraw/zinc/10/03/56/843100356.db2.gz ZZTHIKCTJKKDTR-UPVQGACJSA-N 2 1 399.579 3.744 20 0 GHADMP CC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000165202562 843105748 /nfs/dbraw/zinc/10/57/48/843105748.db2.gz PSNQOMZQRRVXMP-GMAHTHKFSA-N 2 1 395.591 3.764 20 0 GHADMP COCCOc1ccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212220 843107076 /nfs/dbraw/zinc/10/70/76/843107076.db2.gz KRLOLCNWUJAQPK-PZJWPPBQSA-N 2 1 390.568 3.807 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000555598382 861381041 /nfs/dbraw/zinc/38/10/41/861381041.db2.gz RSRDPTDDARNNGO-IBGZPJMESA-N 2 1 381.358 3.808 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555598382 861381059 /nfs/dbraw/zinc/38/10/59/861381059.db2.gz RSRDPTDDARNNGO-IBGZPJMESA-N 2 1 381.358 3.808 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000555598382 861381075 /nfs/dbraw/zinc/38/10/75/861381075.db2.gz RSRDPTDDARNNGO-IBGZPJMESA-N 2 1 381.358 3.808 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H]1CCC[NH3+] ZINC000662314762 843128855 /nfs/dbraw/zinc/12/88/55/843128855.db2.gz PYRVPESLPSEYLY-DGCLKSJQSA-N 2 1 399.358 3.900 20 0 GHADMP Fc1ccc(OCCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327205 843142382 /nfs/dbraw/zinc/14/23/82/843142382.db2.gz FYSPXJBEHCAKHD-UHFFFAOYSA-N 2 1 386.515 3.664 20 0 GHADMP Cc1ccc(C)c(OCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326954 843155218 /nfs/dbraw/zinc/15/52/18/843155218.db2.gz BEKANHYXROYKND-UHFFFAOYSA-N 2 1 382.552 3.752 20 0 GHADMP Fc1ccc(SCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327081 843155233 /nfs/dbraw/zinc/15/52/33/843155233.db2.gz IJVODOILHPZIMN-UHFFFAOYSA-N 2 1 388.556 3.988 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000178695486 861398019 /nfs/dbraw/zinc/39/80/19/861398019.db2.gz APRXSEOZIZRUBO-JKSUJKDBSA-N 2 1 376.932 3.508 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000178705765 861399471 /nfs/dbraw/zinc/39/94/71/861399471.db2.gz KNQWRFIKRCVZOX-KGLIPLIRSA-N 2 1 393.329 3.597 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000178706070 861399503 /nfs/dbraw/zinc/39/95/03/861399503.db2.gz YYPMZNAUUBTTAX-KGLIPLIRSA-N 2 1 398.429 3.733 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000178705921 861399968 /nfs/dbraw/zinc/39/99/68/861399968.db2.gz COWZPOFWIDSOHQ-CHWSQXEVSA-N 2 1 383.277 3.783 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662472639 843302861 /nfs/dbraw/zinc/30/28/61/843302861.db2.gz CEXFSNCXONDPDQ-SFHVURJKSA-N 2 1 386.367 3.834 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000673686652 861408379 /nfs/dbraw/zinc/40/83/79/861408379.db2.gz PISZLQGMUVJCRF-QAPCUYQASA-N 2 1 385.474 3.546 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000673686652 861408384 /nfs/dbraw/zinc/40/83/84/861408384.db2.gz PISZLQGMUVJCRF-QAPCUYQASA-N 2 1 385.474 3.546 20 0 GHADMP C[NH2+][C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000662524944 843381785 /nfs/dbraw/zinc/38/17/85/843381785.db2.gz DACCDXIIHITIJW-SFHVURJKSA-N 2 1 380.319 3.632 20 0 GHADMP C[C@H](CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)[N@@H+](C)Cc1ccccc1 ZINC000431037533 843488330 /nfs/dbraw/zinc/48/83/30/843488330.db2.gz OBOPHDJCRPVMSW-LJQANCHMSA-N 2 1 392.547 3.631 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662676585 843509362 /nfs/dbraw/zinc/50/93/62/843509362.db2.gz YLHRSIQYJPSJOQ-YCRPNKLZSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662676585 843509372 /nfs/dbraw/zinc/50/93/72/843509372.db2.gz YLHRSIQYJPSJOQ-YCRPNKLZSA-N 2 1 387.474 3.655 20 0 GHADMP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(F)cc1F ZINC000662698388 843530256 /nfs/dbraw/zinc/53/02/56/843530256.db2.gz LFIHBUVZYSUZTM-NRFANRHFSA-N 2 1 387.474 3.657 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3nc(C(F)(F)F)cs3)CC2)nc(C)[nH+]1 ZINC000467741587 843531634 /nfs/dbraw/zinc/53/16/34/843531634.db2.gz SGYUPWDIYZJWAP-NSHDSACASA-N 2 1 385.459 3.888 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1(C)C ZINC000549611739 843586891 /nfs/dbraw/zinc/58/68/91/843586891.db2.gz XNCOYECABXPHOG-LJQANCHMSA-N 2 1 394.401 3.832 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000512392150 843624240 /nfs/dbraw/zinc/62/42/40/843624240.db2.gz SIDCPDDBOIXGKN-DHIUTWEWSA-N 2 1 380.532 3.830 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CC3CC[NH+](C)CC3)c2)cc1 ZINC000093088818 843641394 /nfs/dbraw/zinc/64/13/94/843641394.db2.gz HXGOSVISZFTSSO-UHFFFAOYSA-N 2 1 381.520 3.721 20 0 GHADMP C[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CCCC1 ZINC000303258199 843719624 /nfs/dbraw/zinc/71/96/24/843719624.db2.gz OTBFHYLMMHDJSZ-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182401473 843736662 /nfs/dbraw/zinc/73/66/62/843736662.db2.gz JPKZNKVQFGTTBS-OALUTQOASA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401473 843736668 /nfs/dbraw/zinc/73/66/68/843736668.db2.gz JPKZNKVQFGTTBS-OALUTQOASA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401473 843736680 /nfs/dbraw/zinc/73/66/80/843736680.db2.gz JPKZNKVQFGTTBS-OALUTQOASA-N 2 1 378.605 3.593 20 0 GHADMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000500670372 843801863 /nfs/dbraw/zinc/80/18/63/843801863.db2.gz UNXPQNBBKOKPRR-VDHUWJSZSA-N 2 1 399.501 3.703 20 0 GHADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000433212547 843860942 /nfs/dbraw/zinc/86/09/42/843860942.db2.gz JUBBPBZDEOACBM-FQEVSTJZSA-N 2 1 395.591 3.764 20 0 GHADMP c1ccc(CSCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512463820 843884923 /nfs/dbraw/zinc/88/49/23/843884923.db2.gz UFQJWYUSETVHHO-XMMPIXPASA-N 2 1 395.616 3.812 20 0 GHADMP [NH3+]Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000237945162 843989964 /nfs/dbraw/zinc/98/99/64/843989964.db2.gz RMXXMIIBMCUPBI-UHFFFAOYSA-N 2 1 391.437 3.512 20 0 GHADMP C[C@@H](c1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000151122835 844636456 /nfs/dbraw/zinc/63/64/56/844636456.db2.gz CYPMGMBRXHHMGU-SFHVURJKSA-N 2 1 388.556 3.514 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000246077668 844707659 /nfs/dbraw/zinc/70/76/59/844707659.db2.gz UOJUDFLWCFJPAD-IBGZPJMESA-N 2 1 383.552 3.996 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512669327 844977492 /nfs/dbraw/zinc/97/74/92/844977492.db2.gz ZNFSMMQXQRXJMC-GNADVCDUSA-N 2 1 397.607 3.960 20 0 GHADMP CC(C)(C)[NH+]1CCC(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000513203688 845045547 /nfs/dbraw/zinc/04/55/47/845045547.db2.gz ILBARGLRDVDQFA-UHFFFAOYSA-N 2 1 393.019 3.705 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000645112817 845168685 /nfs/dbraw/zinc/16/86/85/845168685.db2.gz RGQKJVUPTDUOOR-RPWUZVMVSA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000513390356 845341494 /nfs/dbraw/zinc/34/14/94/845341494.db2.gz OPSIDCJNRXFRES-COPCDDAFSA-N 2 1 388.600 3.612 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(-n2cnnn2)cc1 ZINC000510995552 845345957 /nfs/dbraw/zinc/34/59/57/845345957.db2.gz FGTAHLBRPVDMTK-GCJKJVERSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(-n2cnnn2)cc1 ZINC000510995552 845345967 /nfs/dbraw/zinc/34/59/67/845345967.db2.gz FGTAHLBRPVDMTK-GCJKJVERSA-N 2 1 390.535 3.614 20 0 GHADMP C[N@H+](CCC(=O)N1CCc2ccccc21)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393378 861561485 /nfs/dbraw/zinc/56/14/85/861561485.db2.gz RETWFDMGFOWGLK-UHFFFAOYSA-N 2 1 392.547 3.599 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000131682013 861575383 /nfs/dbraw/zinc/57/53/83/861575383.db2.gz RMRSPVAAACLLRT-JBACZVJFSA-N 2 1 385.577 3.940 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000513488604 845521668 /nfs/dbraw/zinc/52/16/68/845521668.db2.gz YIPSNTMLCJPMBE-FXAWDEMLSA-N 2 1 377.536 3.667 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000563160146 845533741 /nfs/dbraw/zinc/53/37/41/845533741.db2.gz OSWVMMRBVOKDPJ-LJQANCHMSA-N 2 1 397.485 3.660 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513506104 845544476 /nfs/dbraw/zinc/54/44/76/845544476.db2.gz OCOVPOZXFIBGNF-KNQAVFIVSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1Br ZINC000179510762 861610066 /nfs/dbraw/zinc/61/00/66/861610066.db2.gz WDJPSCQNXZKWOO-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000582057541 846164906 /nfs/dbraw/zinc/16/49/06/846164906.db2.gz RMRRBFLIAVNTBL-IBGZPJMESA-N 2 1 385.939 3.823 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(-c4ccc(C)o4)s3)CC2)CC1 ZINC000421373070 846185112 /nfs/dbraw/zinc/18/51/12/846185112.db2.gz MHMLYVXFJLREEX-UHFFFAOYSA-N 2 1 388.581 3.704 20 0 GHADMP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000657329215 846269962 /nfs/dbraw/zinc/26/99/62/846269962.db2.gz JXQUGBJXJYKTGN-VQTJNVASSA-N 2 1 398.547 3.611 20 0 GHADMP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000657329215 846269972 /nfs/dbraw/zinc/26/99/72/846269972.db2.gz JXQUGBJXJYKTGN-VQTJNVASSA-N 2 1 398.547 3.611 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)OCCO2 ZINC000892184954 846329378 /nfs/dbraw/zinc/32/93/78/846329378.db2.gz BPRRHJDKKNFXNX-RTWAWAEBSA-N 2 1 388.527 3.608 20 0 GHADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513691088 846338976 /nfs/dbraw/zinc/33/89/76/846338976.db2.gz QUFVNWHSKTVDJF-JFIYKMOQSA-N 2 1 394.357 3.549 20 0 GHADMP c1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nnc(C4CC[NH2+]CC4)[nH]2)CCC3)cc1 ZINC000582116787 846414392 /nfs/dbraw/zinc/41/43/92/846414392.db2.gz FQFAQAWDBZDVEJ-MRXNPFEDSA-N 2 1 394.548 3.562 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC000657354141 846472627 /nfs/dbraw/zinc/47/26/27/846472627.db2.gz QSOZGJPCCATUKL-LADGPHEKSA-N 2 1 380.532 3.509 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000673768060 861682070 /nfs/dbraw/zinc/68/20/70/861682070.db2.gz VXRNIWSILNLNQM-GOSISDBHSA-N 2 1 386.584 3.602 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@H]1C ZINC000502785116 846485805 /nfs/dbraw/zinc/48/58/05/846485805.db2.gz RPCNUEBFLYQLMH-WCHWRFHJSA-N 2 1 378.605 3.544 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000280701342 846502335 /nfs/dbraw/zinc/50/23/35/846502335.db2.gz AOYDNPRCWJATGQ-HDYDNRTBSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000502839193 846509850 /nfs/dbraw/zinc/50/98/50/846509850.db2.gz DDWMLKVAHVWTPE-BPRLYGGPSA-N 2 1 398.595 3.682 20 0 GHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000502877772 846563936 /nfs/dbraw/zinc/56/39/36/846563936.db2.gz WTOPZMPJGDYNTQ-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000502877772 846563945 /nfs/dbraw/zinc/56/39/45/846563945.db2.gz WTOPZMPJGDYNTQ-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045868 846570545 /nfs/dbraw/zinc/57/05/45/846570545.db2.gz NYQTZXGEIVJTPE-HXUWFJFHSA-N 2 1 394.563 3.667 20 0 GHADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000501113891 846660889 /nfs/dbraw/zinc/66/08/89/846660889.db2.gz OYCPRDMCNNPPAG-OKZBNKHCSA-N 2 1 381.511 3.839 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501162882 846693921 /nfs/dbraw/zinc/69/39/21/846693921.db2.gz LBEUIDWXFLHPCL-ZHALLVOQSA-N 2 1 380.602 3.693 20 0 GHADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000503100543 846796834 /nfs/dbraw/zinc/79/68/34/846796834.db2.gz CQSVSSFZOJLHIH-APWZRJJASA-N 2 1 380.964 3.506 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000503100543 846796841 /nfs/dbraw/zinc/79/68/41/846796841.db2.gz CQSVSSFZOJLHIH-APWZRJJASA-N 2 1 380.964 3.506 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000545868576 846798693 /nfs/dbraw/zinc/79/86/93/846798693.db2.gz SOYRFUXIYWOPIW-SCLBCKFNSA-N 2 1 395.366 3.895 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000545868576 846798699 /nfs/dbraw/zinc/79/86/99/846798699.db2.gz SOYRFUXIYWOPIW-SCLBCKFNSA-N 2 1 395.366 3.895 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000120048865 846805211 /nfs/dbraw/zinc/80/52/11/846805211.db2.gz ZXAVYTROCXTYSZ-SFHVURJKSA-N 2 1 386.565 3.843 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000657389187 846819190 /nfs/dbraw/zinc/81/91/90/846819190.db2.gz SVJZJKLKMQPQLM-CKUXNOBLSA-N 2 1 380.532 3.997 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000582304247 846824571 /nfs/dbraw/zinc/82/45/71/846824571.db2.gz GSVDGYJHAZRIIN-SIIHOXLZSA-N 2 1 378.467 3.711 20 0 GHADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)Cc1cccs1 ZINC000501522466 846982285 /nfs/dbraw/zinc/98/22/85/846982285.db2.gz JRYNFELRBFZWQC-UHFFFAOYSA-N 2 1 385.577 3.613 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)Cc1cccs1 ZINC000501522466 846982301 /nfs/dbraw/zinc/98/23/01/846982301.db2.gz JRYNFELRBFZWQC-UHFFFAOYSA-N 2 1 385.577 3.613 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)Cc1cccs1 ZINC000501522466 846982307 /nfs/dbraw/zinc/98/23/07/846982307.db2.gz JRYNFELRBFZWQC-UHFFFAOYSA-N 2 1 385.577 3.613 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)Cc1cccs1 ZINC000501522466 846982318 /nfs/dbraw/zinc/98/23/18/846982318.db2.gz JRYNFELRBFZWQC-UHFFFAOYSA-N 2 1 385.577 3.613 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000272933310 847211166 /nfs/dbraw/zinc/21/11/66/847211166.db2.gz ZWSKQTYZEOEOGS-AVRDEDQJSA-N 2 1 379.504 3.643 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCC([NH+](C)C)CC3)cc2)C1 ZINC000420788787 847452665 /nfs/dbraw/zinc/45/26/65/847452665.db2.gz XLHOZGCTBHPKNN-OSFYOIPJSA-N 2 1 386.584 3.591 20 0 GHADMP c1ccc2c(c1)CCOC21CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420958948 847579567 /nfs/dbraw/zinc/57/95/67/847579567.db2.gz DYEJDHYNBIYSAD-UHFFFAOYSA-N 2 1 392.543 3.583 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(F)cc(Br)c3)CC2)CC1 ZINC000420978749 847605440 /nfs/dbraw/zinc/60/54/40/847605440.db2.gz JTOPWADTWVVPQT-UHFFFAOYSA-N 2 1 398.364 3.580 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(F)cc(Br)c3)CC2)CC1 ZINC000420978749 847605441 /nfs/dbraw/zinc/60/54/41/847605441.db2.gz JTOPWADTWVVPQT-UHFFFAOYSA-N 2 1 398.364 3.580 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299304 847618350 /nfs/dbraw/zinc/61/83/50/847618350.db2.gz JKJGERFDLXUACO-GOSISDBHSA-N 2 1 381.358 3.914 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299304 847618357 /nfs/dbraw/zinc/61/83/57/847618357.db2.gz JKJGERFDLXUACO-GOSISDBHSA-N 2 1 381.358 3.914 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467299304 847618361 /nfs/dbraw/zinc/61/83/61/847618361.db2.gz JKJGERFDLXUACO-GOSISDBHSA-N 2 1 381.358 3.914 20 0 GHADMP C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1c[nH+]ccc1N ZINC000422772802 847818193 /nfs/dbraw/zinc/81/81/93/847818193.db2.gz YXNXUFIBDZSJIK-AWEZNQCLSA-N 2 1 379.426 3.912 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422787093 847822834 /nfs/dbraw/zinc/82/28/34/847822834.db2.gz LVDBZJOMGSBXLU-ISKFKSNPSA-N 2 1 379.548 3.874 20 0 GHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422916599 847887222 /nfs/dbraw/zinc/88/72/22/847887222.db2.gz DSGKPOOABWVGBX-WBMJQRKESA-N 2 1 387.833 3.681 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000422892503 847888403 /nfs/dbraw/zinc/88/84/03/847888403.db2.gz NDCONTXVLGSJRZ-YYWHXJBOSA-N 2 1 384.520 3.864 20 0 GHADMP CCOC(=O)C1([C@@H](C)Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)CC[NH2+]CC1 ZINC000423048219 847941869 /nfs/dbraw/zinc/94/18/69/847941869.db2.gz WCBXCGDWYSTUTN-OAHLLOKOSA-N 2 1 386.540 3.604 20 0 GHADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423057539 847955794 /nfs/dbraw/zinc/95/57/94/847955794.db2.gz ZMLANFFVRANNIC-HZMBPMFUSA-N 2 1 376.136 3.689 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423058567 847957297 /nfs/dbraw/zinc/95/72/97/847957297.db2.gz COGOUQWZYUGVPA-JBRSBNLGSA-N 2 1 391.559 3.743 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423058567 847957305 /nfs/dbraw/zinc/95/73/05/847957305.db2.gz COGOUQWZYUGVPA-JBRSBNLGSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC001167598845 848019357 /nfs/dbraw/zinc/01/93/57/848019357.db2.gz LRMAMOUZSYTULF-TYJFDUFHSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC001167598845 848019365 /nfs/dbraw/zinc/01/93/65/848019365.db2.gz LRMAMOUZSYTULF-TYJFDUFHSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC001167598845 848019369 /nfs/dbraw/zinc/01/93/69/848019369.db2.gz LRMAMOUZSYTULF-TYJFDUFHSA-N 2 1 391.559 3.644 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000481636755 861900952 /nfs/dbraw/zinc/90/09/52/861900952.db2.gz MBNYKOKUHBEWJA-IBGZPJMESA-N 2 1 386.540 3.929 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000582815088 848456079 /nfs/dbraw/zinc/45/60/79/848456079.db2.gz AIXMOUDCAYCVQB-FCHUYYIVSA-N 2 1 388.939 3.774 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000582815088 848456083 /nfs/dbraw/zinc/45/60/83/848456083.db2.gz AIXMOUDCAYCVQB-FCHUYYIVSA-N 2 1 388.939 3.774 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c2)C[C@H](C)O1 ZINC000121396433 848750196 /nfs/dbraw/zinc/75/01/96/848750196.db2.gz QJZSYKBHAAAASY-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c2)C[C@H](C)O1 ZINC000121396433 848750200 /nfs/dbraw/zinc/75/02/00/848750200.db2.gz QJZSYKBHAAAASY-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc(F)cc(F)c2)c1)C1CCOCC1 ZINC000161932752 848767142 /nfs/dbraw/zinc/76/71/42/848767142.db2.gz QLBUXFPUEZRVHS-UHFFFAOYSA-N 2 1 390.474 3.744 20 0 GHADMP C[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000167307198 861942607 /nfs/dbraw/zinc/94/26/07/861942607.db2.gz KTLYUCLONIVYHS-CVDCTZTESA-N 2 1 379.548 3.693 20 0 GHADMP Brc1cccc(OCCSCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166575798 848797492 /nfs/dbraw/zinc/79/74/92/848797492.db2.gz XHXMBVKECTZCRK-DLBZAZTESA-N 2 1 399.398 3.778 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431511100 848805166 /nfs/dbraw/zinc/80/51/66/848805166.db2.gz JTLMGUMBTJGHLR-UHFFFAOYSA-N 2 1 379.504 3.751 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000162250435 848873742 /nfs/dbraw/zinc/87/37/42/848873742.db2.gz VHSGTUANKXZHAB-SFHVURJKSA-N 2 1 375.520 3.891 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000475019278 861965317 /nfs/dbraw/zinc/96/53/17/861965317.db2.gz XUGMEBDXWUXPJB-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000475019278 861965336 /nfs/dbraw/zinc/96/53/36/861965336.db2.gz XUGMEBDXWUXPJB-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079525 849027853 /nfs/dbraw/zinc/02/78/53/849027853.db2.gz YFRPLTKGUSMCLT-AEFFLSMTSA-N 2 1 380.960 3.585 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000583124142 849120699 /nfs/dbraw/zinc/12/06/99/849120699.db2.gz UZWQDNOLVRSWJW-XZOQPEGZSA-N 2 1 382.548 3.627 20 0 GHADMP c1ncn(Cc2ccccc2C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000278225097 849735119 /nfs/dbraw/zinc/73/51/19/849735119.db2.gz JQHHJOKFFWHGJV-JOZNFPNDSA-N 2 1 387.531 3.612 20 0 GHADMP Brc1sccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423114905 849745822 /nfs/dbraw/zinc/74/58/22/849745822.db2.gz MMOWFCPFDUKSAE-PBHICJAKSA-N 2 1 379.323 3.856 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853372 849765229 /nfs/dbraw/zinc/76/52/29/849765229.db2.gz SEDNDHCWNHMEMH-SUMWQHHRSA-N 2 1 387.446 3.800 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C(C)=C/c3ccccc3C(F)(F)F)C2)CC1 ZINC000503930749 849778584 /nfs/dbraw/zinc/77/85/84/849778584.db2.gz YZPPZPVOCBMXIB-DQSGYLJSSA-N 2 1 381.486 3.821 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1Br ZINC000423205201 849805361 /nfs/dbraw/zinc/80/53/61/849805361.db2.gz DWFZQZBOVKYOKU-GHMZBOCLSA-N 2 1 376.136 3.862 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126768672 849813443 /nfs/dbraw/zinc/81/34/43/849813443.db2.gz VGSHSKWSPNVIDQ-OXJNMPFZSA-N 2 1 381.520 3.583 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000458510420 849815930 /nfs/dbraw/zinc/81/59/30/849815930.db2.gz INAZHEISQGDLMD-GOSISDBHSA-N 2 1 383.540 3.807 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000583409501 849818177 /nfs/dbraw/zinc/81/81/77/849818177.db2.gz QUKFNJXEPZNQIC-UHFFFAOYSA-N 2 1 387.465 3.694 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000423326041 849867447 /nfs/dbraw/zinc/86/74/47/849867447.db2.gz JBNYQDNGOFYAHZ-ICPLQIHGSA-N 2 1 378.520 3.628 20 0 GHADMP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)sc1Cl ZINC000423374625 849877821 /nfs/dbraw/zinc/87/78/21/849877821.db2.gz CMTPAUWUEMUXAH-WPRPVWTQSA-N 2 1 376.275 3.542 20 0 GHADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000536020116 849883780 /nfs/dbraw/zinc/88/37/80/849883780.db2.gz LUXHTCYQSCJFRI-KDURUIRLSA-N 2 1 383.536 3.971 20 0 GHADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000536020116 849883794 /nfs/dbraw/zinc/88/37/94/849883794.db2.gz LUXHTCYQSCJFRI-KDURUIRLSA-N 2 1 383.536 3.971 20 0 GHADMP Fc1ccc(C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423500419 849944538 /nfs/dbraw/zinc/94/45/38/849944538.db2.gz AFXZRHQXFILGJP-KXTRFFEISA-N 2 1 381.539 3.916 20 0 GHADMP Fc1ccc(C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC000423500421 849944567 /nfs/dbraw/zinc/94/45/67/849944567.db2.gz AFXZRHQXFILGJP-VHYCJAOWSA-N 2 1 381.539 3.916 20 0 GHADMP FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423490500 849952677 /nfs/dbraw/zinc/95/26/77/849952677.db2.gz YZKFZBYFVNXIER-JSXRDJHFSA-N 3 1 377.523 3.512 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423490500 849952682 /nfs/dbraw/zinc/95/26/82/849952682.db2.gz YZKFZBYFVNXIER-JSXRDJHFSA-N 3 1 377.523 3.512 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423490500 849952688 /nfs/dbraw/zinc/95/26/88/849952688.db2.gz YZKFZBYFVNXIER-JSXRDJHFSA-N 3 1 377.523 3.512 20 0 GHADMP CCCCOc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1OC ZINC000423521261 849966412 /nfs/dbraw/zinc/96/64/12/849966412.db2.gz SLPPQSGWOJDOLK-PELRDEGISA-N 2 1 389.584 3.741 20 0 GHADMP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000423754126 850044013 /nfs/dbraw/zinc/04/40/13/850044013.db2.gz YIDGCBIKJVDATD-BEFAXECRSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000506614636 850110854 /nfs/dbraw/zinc/11/08/54/850110854.db2.gz XFGVGFHAIKBPIB-QYZOEREBSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000506614636 850110861 /nfs/dbraw/zinc/11/08/61/850110861.db2.gz XFGVGFHAIKBPIB-QYZOEREBSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000506614636 850110872 /nfs/dbraw/zinc/11/08/72/850110872.db2.gz XFGVGFHAIKBPIB-QYZOEREBSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000506614636 850110882 /nfs/dbraw/zinc/11/08/82/850110882.db2.gz XFGVGFHAIKBPIB-QYZOEREBSA-N 2 1 380.960 3.666 20 0 GHADMP CC(C)CN(C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000668691880 850141276 /nfs/dbraw/zinc/14/12/76/850141276.db2.gz UYVLCQHZKAZCCN-QFIPXVFZSA-N 2 1 385.596 3.520 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Cl)cc1 ZINC000518781846 850143681 /nfs/dbraw/zinc/14/36/81/850143681.db2.gz ZEUGHDKRGRRPDG-YLJYHZDGSA-N 2 1 388.943 3.607 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Cl)cc1 ZINC000518781846 850143686 /nfs/dbraw/zinc/14/36/86/850143686.db2.gz ZEUGHDKRGRRPDG-YLJYHZDGSA-N 2 1 388.943 3.607 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+]4CC[C@@]5(CC[N@@H+](C)C5)C4)cc3)nc12 ZINC000430135275 850156660 /nfs/dbraw/zinc/15/66/60/850156660.db2.gz QMMPZCQEEJYSKF-XMMPIXPASA-N 2 1 390.531 3.749 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+]4CC[C@@]5(CC[N@H+](C)C5)C4)cc3)nc12 ZINC000430135275 850156671 /nfs/dbraw/zinc/15/66/71/850156671.db2.gz QMMPZCQEEJYSKF-XMMPIXPASA-N 2 1 390.531 3.749 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@]5(CC[NH+](C)C5)C4)cc3)nc12 ZINC000430135275 850156682 /nfs/dbraw/zinc/15/66/82/850156682.db2.gz QMMPZCQEEJYSKF-XMMPIXPASA-N 2 1 390.531 3.749 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@]5(CC[NH+](C)C5)C4)cc3)nc12 ZINC000430135275 850156691 /nfs/dbraw/zinc/15/66/91/850156691.db2.gz QMMPZCQEEJYSKF-XMMPIXPASA-N 2 1 390.531 3.749 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424243017 850329850 /nfs/dbraw/zinc/32/98/50/850329850.db2.gz PDJSAODUHFUJGM-FQEVSTJZSA-N 2 1 391.437 3.847 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000424301102 850342838 /nfs/dbraw/zinc/34/28/38/850342838.db2.gz XAFFQIAXPFKYLF-KBPBESRZSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000424301107 850343190 /nfs/dbraw/zinc/34/31/90/850343190.db2.gz XAFFQIAXPFKYLF-KGLIPLIRSA-N 2 1 384.351 3.635 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c2cccs2)cc1 ZINC000424282822 850353604 /nfs/dbraw/zinc/35/36/04/850353604.db2.gz ATBSEQCYPZVLRD-AVRDEDQJSA-N 2 1 397.588 3.726 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC[NH2+]CC2 ZINC000424372858 850412859 /nfs/dbraw/zinc/41/28/59/850412859.db2.gz FZTFWDYPXYDAFA-VQIMIIECSA-N 2 1 378.944 3.862 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+](C)C4C[C@H]5CC[C@@H](C4)[NH2+]5)cc3)nc12 ZINC000435377156 850441418 /nfs/dbraw/zinc/44/14/18/850441418.db2.gz YNDDBBUZDIAGKT-RLAPIPATSA-N 2 1 390.531 3.937 20 0 GHADMP COc1cc2c(cc1C[NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)O[C@H](C)C2 ZINC000518979080 850448350 /nfs/dbraw/zinc/44/83/50/850448350.db2.gz SXECPUPIGZWXEK-OAHLLOKOSA-N 2 1 399.535 3.625 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435383445 850449443 /nfs/dbraw/zinc/44/94/43/850449443.db2.gz GRLUVDOOSNBNQH-AWEZNQCLSA-N 2 1 377.330 3.539 20 0 GHADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506695369 850470231 /nfs/dbraw/zinc/47/02/31/850470231.db2.gz GZVFYTXFIRVKCV-SFTDATJTSA-N 2 1 380.621 3.795 20 0 GHADMP Cc1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)ccc1-n1cncn1 ZINC000435424864 850504836 /nfs/dbraw/zinc/50/48/36/850504836.db2.gz BNFVINDMMOZIHO-OAQYLSRUSA-N 2 1 393.560 3.782 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)[C@@H](C(C)C)C3)c2c1C ZINC000487159078 850505821 /nfs/dbraw/zinc/50/58/21/850505821.db2.gz WJMGLHJORLPGMG-QGZVFWFLSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)[C@@H](C(C)C)C3)c2c1C ZINC000487159078 850505829 /nfs/dbraw/zinc/50/58/29/850505829.db2.gz WJMGLHJORLPGMG-QGZVFWFLSA-N 2 1 387.597 3.680 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)c2)C[C@@H](C)O1 ZINC000439958196 850627848 /nfs/dbraw/zinc/62/78/48/850627848.db2.gz QSXCQNKUMHEAOK-JBYIUTFZSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)c2)C[C@@H](C)O1 ZINC000439958196 850627855 /nfs/dbraw/zinc/62/78/55/850627855.db2.gz QSXCQNKUMHEAOK-JBYIUTFZSA-N 2 1 385.552 3.641 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Br)[C@H](C)C1 ZINC000481738756 862163616 /nfs/dbraw/zinc/16/36/16/862163616.db2.gz FQMKRDMLCXCFAI-VQIMIIECSA-N 2 1 383.374 3.718 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc12 ZINC001167966349 850929248 /nfs/dbraw/zinc/92/92/48/850929248.db2.gz ULLIGVYOQLPVCP-CZJMCEMMSA-N 2 1 395.547 3.652 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167966349 850929251 /nfs/dbraw/zinc/92/92/51/850929251.db2.gz ULLIGVYOQLPVCP-CZJMCEMMSA-N 2 1 395.547 3.652 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506797247 850964757 /nfs/dbraw/zinc/96/47/57/850964757.db2.gz OOXKDWAVWKCWOT-NCYKPQTJSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000519399640 851005347 /nfs/dbraw/zinc/00/53/47/851005347.db2.gz YPUOIIVFNFQRPN-XZOQPEGZSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000519399640 851005357 /nfs/dbraw/zinc/00/53/57/851005357.db2.gz YPUOIIVFNFQRPN-XZOQPEGZSA-N 2 1 385.596 3.520 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000569939389 851029622 /nfs/dbraw/zinc/02/96/22/851029622.db2.gz RNEVZXRTXZZDFS-QHCPKHFHSA-N 2 1 383.580 3.840 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000514161441 851315449 /nfs/dbraw/zinc/31/54/49/851315449.db2.gz AMWOUBQAXSHPOD-MSOLQXFVSA-N 2 1 392.613 3.695 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000415100039 851317581 /nfs/dbraw/zinc/31/75/81/851317581.db2.gz ABMWWAGNMNIIFN-SJORKVTESA-N 2 1 387.749 3.821 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000048395354 851355733 /nfs/dbraw/zinc/35/57/33/851355733.db2.gz HJQRBNOSDQVZPT-KDURUIRLSA-N 2 1 398.595 3.591 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550079948 851424139 /nfs/dbraw/zinc/42/41/39/851424139.db2.gz OTGLATUCRFMFIB-KNQAVFIVSA-N 2 1 388.552 3.511 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)cc2)CC1 ZINC000436294581 851429299 /nfs/dbraw/zinc/42/92/99/851429299.db2.gz XPLHCVWORAAKFK-LADGPHEKSA-N 2 1 391.559 3.575 20 0 GHADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488423557 851484533 /nfs/dbraw/zinc/48/45/33/851484533.db2.gz XQZDPLMLEFCTNI-OAHLLOKOSA-N 2 1 383.458 3.840 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H](C)O1 ZINC000048816795 851498387 /nfs/dbraw/zinc/49/83/87/851498387.db2.gz SOLGGFNLQMLRRM-BGYRXZFFSA-N 2 1 390.531 3.771 20 0 GHADMP Cc1ccc(CNC(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000515874831 851589996 /nfs/dbraw/zinc/58/99/96/851589996.db2.gz RNLFBTIWHSLVEA-QFIPXVFZSA-N 2 1 397.538 3.641 20 0 GHADMP Cc1ccc(CNC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cc1F ZINC000515874831 851590007 /nfs/dbraw/zinc/59/00/07/851590007.db2.gz RNLFBTIWHSLVEA-QFIPXVFZSA-N 2 1 397.538 3.641 20 0 GHADMP Cc1ccc(CNC(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1F ZINC000515874830 851590507 /nfs/dbraw/zinc/59/05/07/851590507.db2.gz RNLFBTIWHSLVEA-JOCHJYFZSA-N 2 1 397.538 3.641 20 0 GHADMP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cc1F ZINC000515874830 851590515 /nfs/dbraw/zinc/59/05/15/851590515.db2.gz RNLFBTIWHSLVEA-JOCHJYFZSA-N 2 1 397.538 3.641 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000550126592 851694592 /nfs/dbraw/zinc/69/45/92/851694592.db2.gz SFQMVGPIWJBTFV-KRWDZBQOSA-N 2 1 377.960 3.685 20 0 GHADMP CC1(C)C[N@H+](CC(=O)NCc2ccco2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836609 851821875 /nfs/dbraw/zinc/82/18/75/851821875.db2.gz AWLZDNAHWJTYSB-HSZRJFAPSA-N 2 1 395.547 3.518 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)NCc2ccco2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836609 851821883 /nfs/dbraw/zinc/82/18/83/851821883.db2.gz AWLZDNAHWJTYSB-HSZRJFAPSA-N 2 1 395.547 3.518 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550202292 851905842 /nfs/dbraw/zinc/90/58/42/851905842.db2.gz YFRMDCOBXUMFGW-CEQIKUNHSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550202292 851905845 /nfs/dbraw/zinc/90/58/45/851905845.db2.gz YFRMDCOBXUMFGW-CEQIKUNHSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550202292 851905847 /nfs/dbraw/zinc/90/58/47/851905847.db2.gz YFRMDCOBXUMFGW-CEQIKUNHSA-N 2 1 395.950 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000570334130 852023894 /nfs/dbraw/zinc/02/38/94/852023894.db2.gz DCWKKFRFERTOQJ-UHFFFAOYSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000517546327 852101342 /nfs/dbraw/zinc/10/13/42/852101342.db2.gz PYPBXXQYAFZCHX-OIBXWCBGSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000517546327 852101348 /nfs/dbraw/zinc/10/13/48/852101348.db2.gz PYPBXXQYAFZCHX-OIBXWCBGSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000517546327 852101353 /nfs/dbraw/zinc/10/13/53/852101353.db2.gz PYPBXXQYAFZCHX-OIBXWCBGSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000517546327 852101362 /nfs/dbraw/zinc/10/13/62/852101362.db2.gz PYPBXXQYAFZCHX-OIBXWCBGSA-N 2 1 392.547 3.520 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438185786 852117861 /nfs/dbraw/zinc/11/78/61/852117861.db2.gz FBZYIMCJDIHWJI-JBXUNAHCSA-N 2 1 378.560 3.870 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438185786 852117869 /nfs/dbraw/zinc/11/78/69/852117869.db2.gz FBZYIMCJDIHWJI-JBXUNAHCSA-N 2 1 378.560 3.870 20 0 GHADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001167982796 852127652 /nfs/dbraw/zinc/12/76/52/852127652.db2.gz AQTLMTJDJIWGGS-QBAGFEOCSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001167982796 852127656 /nfs/dbraw/zinc/12/76/56/852127656.db2.gz AQTLMTJDJIWGGS-QBAGFEOCSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001167982796 852127663 /nfs/dbraw/zinc/12/76/63/852127663.db2.gz AQTLMTJDJIWGGS-QBAGFEOCSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001167982796 852127671 /nfs/dbraw/zinc/12/76/71/852127671.db2.gz AQTLMTJDJIWGGS-QBAGFEOCSA-N 2 1 377.573 3.627 20 0 GHADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000489284487 852186600 /nfs/dbraw/zinc/18/66/00/852186600.db2.gz COPDTOXRNBYSCC-JOCHJYFZSA-N 2 1 381.520 3.793 20 0 GHADMP c1cc(C[NH+]2CCOC3(CCCC3)C2)cc(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000489399548 852302779 /nfs/dbraw/zinc/30/27/79/852302779.db2.gz YLTQBUQWNJZMMH-UHFFFAOYSA-N 2 1 384.564 3.977 20 0 GHADMP c1cc(C[NH+]2CCOC3(CCCC3)C2)cc(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000489399548 852302785 /nfs/dbraw/zinc/30/27/85/852302785.db2.gz YLTQBUQWNJZMMH-UHFFFAOYSA-N 2 1 384.564 3.977 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000506917088 852331084 /nfs/dbraw/zinc/33/10/84/852331084.db2.gz NCLAZLCGEXEFHE-NHCUHLMSSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000489436165 852337288 /nfs/dbraw/zinc/33/72/88/852337288.db2.gz LUQLSJXWWWOAEC-CVDCTZTESA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000506948981 852374375 /nfs/dbraw/zinc/37/43/75/852374375.db2.gz HOIYIKUUNUDREO-HKBOAZHASA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506948981 852374385 /nfs/dbraw/zinc/37/43/85/852374385.db2.gz HOIYIKUUNUDREO-HKBOAZHASA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506948981 852374395 /nfs/dbraw/zinc/37/43/95/852374395.db2.gz HOIYIKUUNUDREO-HKBOAZHASA-N 2 1 392.632 3.793 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000489646495 852507085 /nfs/dbraw/zinc/50/70/85/852507085.db2.gz GVSBYCQLHAVMRJ-UHFFFAOYSA-N 2 1 395.547 3.868 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[N@H+](C4CCC4)C[C@@H](C)C3)CC2)CC1 ZINC000489788278 852587810 /nfs/dbraw/zinc/58/78/10/852587810.db2.gz PQRBWGQTWSBVSM-VRKFHHGPSA-N 2 1 390.616 3.545 20 0 GHADMP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000489901800 852635053 /nfs/dbraw/zinc/63/50/53/852635053.db2.gz XUNVOULHCZSKEO-VQTJNVASSA-N 2 1 386.584 3.555 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)COc1ccc(Cl)cc1 ZINC000516563077 852727507 /nfs/dbraw/zinc/72/75/07/852727507.db2.gz RGFYGPDIUMFSKQ-FUHWJXTLSA-N 2 1 394.968 3.643 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)COc1ccc(Cl)cc1 ZINC000516563077 852727513 /nfs/dbraw/zinc/72/75/13/852727513.db2.gz RGFYGPDIUMFSKQ-FUHWJXTLSA-N 2 1 394.968 3.643 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000516573022 852741447 /nfs/dbraw/zinc/74/14/47/852741447.db2.gz UIGGBDAGCXNUNT-HXUWFJFHSA-N 2 1 391.437 3.799 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccccc3)CC2)cc1 ZINC000507336868 852784975 /nfs/dbraw/zinc/78/49/75/852784975.db2.gz DQQMGYSFSPQRHE-UHFFFAOYSA-N 2 1 379.548 3.554 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000437147724 852796988 /nfs/dbraw/zinc/79/69/88/852796988.db2.gz OBUISPLUTZDRPO-YPAWHYETSA-N 2 1 380.536 3.533 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000437147724 852796992 /nfs/dbraw/zinc/79/69/92/852796992.db2.gz OBUISPLUTZDRPO-YPAWHYETSA-N 2 1 380.536 3.533 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc2C1 ZINC000490171663 852805202 /nfs/dbraw/zinc/80/52/02/852805202.db2.gz GSBKKKUZSQICSY-RUZDIDTESA-N 2 1 391.559 3.777 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000516649041 852838610 /nfs/dbraw/zinc/83/86/10/852838610.db2.gz VSJZEIDQNGUSFR-ZYSHUDEJSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000516649041 852838616 /nfs/dbraw/zinc/83/86/16/852838616.db2.gz VSJZEIDQNGUSFR-ZYSHUDEJSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC000507513431 852991597 /nfs/dbraw/zinc/99/15/97/852991597.db2.gz RNDMHBDMQUQGNY-CIAFKFPVSA-N 2 1 392.591 3.996 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167986289 853016579 /nfs/dbraw/zinc/01/65/79/853016579.db2.gz CEWAJTDLNGOQQA-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167986289 853016587 /nfs/dbraw/zinc/01/65/87/853016587.db2.gz CEWAJTDLNGOQQA-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518341822 853239875 /nfs/dbraw/zinc/23/98/75/853239875.db2.gz LMXJPOHELYCICI-LPHOPBHVSA-N 2 1 396.510 3.504 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc(Br)c1OC(F)F ZINC000414978214 853240648 /nfs/dbraw/zinc/24/06/48/853240648.db2.gz STVAZOGLSPGRCF-ZDUSSCGKSA-N 2 1 393.272 3.537 20 0 GHADMP c1nnn(Cc2ccccc2)c1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000490778449 853255123 /nfs/dbraw/zinc/25/51/23/853255123.db2.gz ZIBYVKNYTUWJKE-UHFFFAOYSA-N 2 1 389.547 3.992 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000518440435 853362538 /nfs/dbraw/zinc/36/25/38/853362538.db2.gz SYURIDKYSHUJRL-GEWVGOBGSA-N 2 1 394.506 3.568 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000518440435 853362553 /nfs/dbraw/zinc/36/25/53/853362553.db2.gz SYURIDKYSHUJRL-GEWVGOBGSA-N 2 1 394.506 3.568 20 0 GHADMP O=C(c1cccs1)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377347 853603890 /nfs/dbraw/zinc/60/38/90/853603890.db2.gz DAVUHVXVDPDNBL-QFIPXVFZSA-N 2 1 387.593 3.551 20 0 GHADMP CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517301887 853636389 /nfs/dbraw/zinc/63/63/89/853636389.db2.gz VIYXYPBKZFYLSU-NRFANRHFSA-N 2 1 396.535 3.753 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623867949 862486378 /nfs/dbraw/zinc/48/63/78/862486378.db2.gz OTJXZJUPHTYGOU-KRWDZBQOSA-N 2 1 398.532 3.733 20 0 GHADMP Cc1ccc2cc(C[N@H+](C)C[C@]3(O)CCN(Cc4ccccc4)C3)ccc2n1 ZINC000437969921 853729103 /nfs/dbraw/zinc/72/91/03/853729103.db2.gz PCTVLPUTGUWADS-XMMPIXPASA-N 2 1 375.516 3.612 20 0 GHADMP Cc1ccc2cc(CN(C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000437969921 853729108 /nfs/dbraw/zinc/72/91/08/853729108.db2.gz PCTVLPUTGUWADS-XMMPIXPASA-N 2 1 375.516 3.612 20 0 GHADMP Cc1ccc2cc(CN(C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000437969921 853729109 /nfs/dbraw/zinc/72/91/09/853729109.db2.gz PCTVLPUTGUWADS-XMMPIXPASA-N 2 1 375.516 3.612 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000520112881 853841737 /nfs/dbraw/zinc/84/17/37/853841737.db2.gz CSELQOIARFIXRL-IBGZPJMESA-N 2 1 399.510 3.617 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000571505016 853898233 /nfs/dbraw/zinc/89/82/33/853898233.db2.gz HKVHVCYGSIUWMJ-UHFFFAOYSA-N 2 1 381.564 3.771 20 0 GHADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1C ZINC000520405764 854176563 /nfs/dbraw/zinc/17/65/63/854176563.db2.gz VSIXBEMLFDTYBN-DNQXCXABSA-N 2 1 378.560 3.994 20 0 GHADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1C ZINC000520405764 854176569 /nfs/dbraw/zinc/17/65/69/854176569.db2.gz VSIXBEMLFDTYBN-DNQXCXABSA-N 2 1 378.560 3.994 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@@H]21 ZINC000572044270 854342777 /nfs/dbraw/zinc/34/27/77/854342777.db2.gz BLEISJJPXCJGRP-VNQPRFMTSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@@H]21 ZINC000572044270 854342782 /nfs/dbraw/zinc/34/27/82/854342782.db2.gz BLEISJJPXCJGRP-VNQPRFMTSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@H]21 ZINC000572044269 854342797 /nfs/dbraw/zinc/34/27/97/854342797.db2.gz BLEISJJPXCJGRP-NUEKZKHPSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@H]21 ZINC000572044269 854342801 /nfs/dbraw/zinc/34/28/01/854342801.db2.gz BLEISJJPXCJGRP-NUEKZKHPSA-N 2 1 376.298 3.663 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]2C1 ZINC001167995188 854430778 /nfs/dbraw/zinc/43/07/78/854430778.db2.gz YJHXKRGKMLWYSF-JKIHBJOUSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]2C1 ZINC001167995188 854430782 /nfs/dbraw/zinc/43/07/82/854430782.db2.gz YJHXKRGKMLWYSF-JKIHBJOUSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]2C1 ZINC001167995188 854430788 /nfs/dbraw/zinc/43/07/88/854430788.db2.gz YJHXKRGKMLWYSF-JKIHBJOUSA-N 2 1 389.584 3.581 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994318 854436983 /nfs/dbraw/zinc/43/69/83/854436983.db2.gz BNMQJNUKVILPEZ-LAVRTFCYSA-N 2 1 381.564 3.515 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994318 854436984 /nfs/dbraw/zinc/43/69/84/854436984.db2.gz BNMQJNUKVILPEZ-LAVRTFCYSA-N 2 1 381.564 3.515 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994318 854436986 /nfs/dbraw/zinc/43/69/86/854436986.db2.gz BNMQJNUKVILPEZ-LAVRTFCYSA-N 2 1 381.564 3.515 20 0 GHADMP c1ccc2nc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)CC3)ccc2c1 ZINC001167994521 854438326 /nfs/dbraw/zinc/43/83/26/854438326.db2.gz HHXDTSUUMMXVGU-CBQGHPETSA-N 2 1 376.548 3.762 20 0 GHADMP c1ccc2nc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC3)ccc2c1 ZINC001167994521 854438331 /nfs/dbraw/zinc/43/83/31/854438331.db2.gz HHXDTSUUMMXVGU-CBQGHPETSA-N 2 1 376.548 3.762 20 0 GHADMP Cc1cccc(-c2noc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)n2)c1 ZINC000328665796 854496152 /nfs/dbraw/zinc/49/61/52/854496152.db2.gz ZNAFGSJDTTUSMW-SFHVURJKSA-N 2 1 377.492 3.957 20 0 GHADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CCC(OCC[NH+](C)C)CC1 ZINC000481983708 862578319 /nfs/dbraw/zinc/57/83/19/862578319.db2.gz SCKFARVQVYUCKR-UHFFFAOYSA-N 2 1 399.535 3.575 20 0 GHADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482017177 862632608 /nfs/dbraw/zinc/63/26/08/862632608.db2.gz NSPRRJDQCUKDKM-HSZRJFAPSA-N 2 1 398.595 3.871 20 0 GHADMP COC(=O)c1sc2c(c1Nc1cccnc1N)CC[N@H+](Cc1ccccc1)C2 ZINC001212398325 855033782 /nfs/dbraw/zinc/03/37/82/855033782.db2.gz OYKFZVFIMXPELB-UHFFFAOYSA-N 2 1 394.500 3.814 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572858807 855046279 /nfs/dbraw/zinc/04/62/79/855046279.db2.gz XLIHHDCCQTXATG-GGAORHGYSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572858807 855046286 /nfs/dbraw/zinc/04/62/86/855046286.db2.gz XLIHHDCCQTXATG-GGAORHGYSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000589640024 855085164 /nfs/dbraw/zinc/08/51/64/855085164.db2.gz TWCYLJMDDCFQAQ-UHFFFAOYSA-N 2 1 377.536 3.563 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168394545 855154074 /nfs/dbraw/zinc/15/40/74/855154074.db2.gz BMDIWDPLTSUETB-LJQANCHMSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168394545 855154083 /nfs/dbraw/zinc/15/40/83/855154083.db2.gz BMDIWDPLTSUETB-LJQANCHMSA-N 2 1 379.342 3.777 20 0 GHADMP COc1ccc([C@H]2C[C@H]([N@@H+](C3CCOCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168626041 855171032 /nfs/dbraw/zinc/17/10/32/855171032.db2.gz WKEYNQFQLLYLFD-LUBSMZHTSA-N 2 1 388.552 3.666 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(C(=O)OC)cc1 ZINC000590242144 855329736 /nfs/dbraw/zinc/32/97/36/855329736.db2.gz ZUYMTLOOTSOHTK-JPYJTQIMSA-N 2 1 396.531 3.935 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C(=O)OC)cc1 ZINC000590242144 855329742 /nfs/dbraw/zinc/32/97/42/855329742.db2.gz ZUYMTLOOTSOHTK-JPYJTQIMSA-N 2 1 396.531 3.935 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000572958174 855466082 /nfs/dbraw/zinc/46/60/82/855466082.db2.gz MNXMITQSWXDGCP-OPAMFIHVSA-N 2 1 389.503 3.509 20 0 GHADMP Cc1cc(F)cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001143586011 855509606 /nfs/dbraw/zinc/50/96/06/855509606.db2.gz IVBICWODRXKWAE-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)oc1C ZINC000282304052 855527436 /nfs/dbraw/zinc/52/74/36/855527436.db2.gz MOYJJRXLXCXFPM-GOSISDBHSA-N 2 1 378.520 3.742 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000455929030 862715609 /nfs/dbraw/zinc/71/56/09/862715609.db2.gz OBRSURYXXGJXRR-YWZLYKJASA-N 2 1 398.576 3.865 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000455929030 862715616 /nfs/dbraw/zinc/71/56/16/862715616.db2.gz OBRSURYXXGJXRR-YWZLYKJASA-N 2 1 398.576 3.865 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SC(F)F)cc1 ZINC000765887450 855877114 /nfs/dbraw/zinc/87/71/14/855877114.db2.gz ZYIKFSYVSYVARS-CQSZACIVSA-N 2 1 385.524 3.595 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCN(C)C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007402 856086352 /nfs/dbraw/zinc/08/63/52/856086352.db2.gz RYAMUKBEUVFPDL-OPVJXMOQSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000542843990 856122325 /nfs/dbraw/zinc/12/23/25/856122325.db2.gz OFWHTVYLHSFGDO-NZQKXSOJSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000542843990 856122334 /nfs/dbraw/zinc/12/23/34/856122334.db2.gz OFWHTVYLHSFGDO-NZQKXSOJSA-N 2 1 391.559 3.999 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000465826725 856153534 /nfs/dbraw/zinc/15/35/34/856153534.db2.gz QJGLMAWRHCGZNA-FCHUYYIVSA-N 2 1 386.584 3.648 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2I)C1 ZINC000405194636 856220432 /nfs/dbraw/zinc/22/04/32/856220432.db2.gz ABGAPNIAMYGEAK-LLVKDONJSA-N 2 1 378.685 3.505 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172593592 856496491 /nfs/dbraw/zinc/49/64/91/856496491.db2.gz HJQJUQMQIINQEC-HXUWFJFHSA-N 2 1 398.595 3.872 20 0 GHADMP COc1ccc([C@H]2C[C@H](N(c3cc(C)[nH+]c(C)n3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168676465 856590614 /nfs/dbraw/zinc/59/06/14/856590614.db2.gz NHDDXNYERCSHJO-IFMALSPDSA-N 2 1 396.535 3.581 20 0 GHADMP COc1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000485484364 856660583 /nfs/dbraw/zinc/66/05/83/856660583.db2.gz AKKVIMRFFDXKHO-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP COc1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000485484364 856660587 /nfs/dbraw/zinc/66/05/87/856660587.db2.gz AKKVIMRFFDXKHO-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000542886708 856661492 /nfs/dbraw/zinc/66/14/92/856661492.db2.gz KTDOPVAUDRQVQM-INIZCTEOSA-N 2 1 379.460 3.697 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000427908234 856864662 /nfs/dbraw/zinc/86/46/62/856864662.db2.gz WXOAQMRMAUSHDH-FIXSFTCYSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000427908234 856864672 /nfs/dbraw/zinc/86/46/72/856864672.db2.gz WXOAQMRMAUSHDH-FIXSFTCYSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000427908234 856864677 /nfs/dbraw/zinc/86/46/77/856864677.db2.gz WXOAQMRMAUSHDH-FIXSFTCYSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164183 856896835 /nfs/dbraw/zinc/89/68/35/856896835.db2.gz CFAFBLXKZREYKU-BWKNWUBXSA-N 3 1 392.591 3.794 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164183 856896838 /nfs/dbraw/zinc/89/68/38/856896838.db2.gz CFAFBLXKZREYKU-BWKNWUBXSA-N 2 1 392.591 3.794 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000465915924 856949607 /nfs/dbraw/zinc/94/96/07/856949607.db2.gz BPAINJGTFIOPJO-RBBKRZOGSA-N 2 1 386.584 3.504 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428078717 857090734 /nfs/dbraw/zinc/09/07/34/857090734.db2.gz SRUVLEZARSQDLW-IBGZPJMESA-N 2 1 385.577 3.842 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC000485858924 857160455 /nfs/dbraw/zinc/16/04/55/857160455.db2.gz YVPNGZRACDOFQG-DNVJHFABSA-N 2 1 383.580 3.634 20 0 GHADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1F ZINC000665259722 857207925 /nfs/dbraw/zinc/20/79/25/857207925.db2.gz NTGWROUDMGXXJF-JBYOLUDKSA-N 2 1 385.483 3.589 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc(OC)c1O ZINC000574082973 857215967 /nfs/dbraw/zinc/21/59/67/857215967.db2.gz YXKSFNVXSJVEPX-QGZVFWFLSA-N 2 1 384.520 3.931 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000520852253 857297904 /nfs/dbraw/zinc/29/79/04/857297904.db2.gz GGUXBKAXCDTNOH-RTMPEQEDSA-N 2 1 394.559 3.934 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC000656537879 857337483 /nfs/dbraw/zinc/33/74/83/857337483.db2.gz GOOBWFCHKPUQNO-GVXSCFBNSA-N 3 1 390.575 3.941 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000520878520 857339891 /nfs/dbraw/zinc/33/98/91/857339891.db2.gz FMEGJTVMTYEKAH-LEWJYISDSA-N 2 1 398.551 3.626 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCCCCC[NH+]4CCCCC4)cc3c2C1 ZINC000668580634 857379537 /nfs/dbraw/zinc/37/95/37/857379537.db2.gz POEHEXLCNBEBOT-UHFFFAOYSA-N 2 1 382.552 3.542 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NCCCCC[NH+]4CCCCC4)cc3c2C1 ZINC000668580634 857379550 /nfs/dbraw/zinc/37/95/50/857379550.db2.gz POEHEXLCNBEBOT-UHFFFAOYSA-N 2 1 382.552 3.542 20 0 GHADMP Brc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)s1 ZINC001279159004 857445900 /nfs/dbraw/zinc/44/59/00/857445900.db2.gz VGAAFGQMCJAVRM-OKILXGFUSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)s1 ZINC001279159004 857445907 /nfs/dbraw/zinc/44/59/07/857445907.db2.gz VGAAFGQMCJAVRM-OKILXGFUSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)s1 ZINC001279159004 857445912 /nfs/dbraw/zinc/44/59/12/857445912.db2.gz VGAAFGQMCJAVRM-OKILXGFUSA-N 2 1 395.370 3.578 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000061868898 857546500 /nfs/dbraw/zinc/54/65/00/857546500.db2.gz HEMBMCOSEAYQDL-BGYRXZFFSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000061868898 857546507 /nfs/dbraw/zinc/54/65/07/857546507.db2.gz HEMBMCOSEAYQDL-BGYRXZFFSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000061868898 857546517 /nfs/dbraw/zinc/54/65/17/857546517.db2.gz HEMBMCOSEAYQDL-BGYRXZFFSA-N 2 1 388.600 3.694 20 0 GHADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)n2)c1 ZINC000521055189 857549717 /nfs/dbraw/zinc/54/97/17/857549717.db2.gz ZGKHCAZYENFHOI-IBGZPJMESA-N 2 1 392.478 3.901 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000521072219 857564481 /nfs/dbraw/zinc/56/44/81/857564481.db2.gz PGFSIQACJZAHLB-NRFANRHFSA-N 2 1 385.939 3.724 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CCO2)cc1 ZINC001168589225 857652562 /nfs/dbraw/zinc/65/25/62/857652562.db2.gz LPGUYXDEMQYGFN-VWNXMTODSA-N 2 1 396.531 3.537 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277335 857654011 /nfs/dbraw/zinc/65/40/11/857654011.db2.gz ZFFXKKGGWNMSJA-WIYYLYMNSA-N 3 1 378.564 3.802 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277335 857654017 /nfs/dbraw/zinc/65/40/17/857654017.db2.gz ZFFXKKGGWNMSJA-WIYYLYMNSA-N 2 1 378.564 3.802 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277335 857654020 /nfs/dbraw/zinc/65/40/20/857654020.db2.gz ZFFXKKGGWNMSJA-WIYYLYMNSA-N 2 1 378.564 3.802 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063915597 857672713 /nfs/dbraw/zinc/67/27/13/857672713.db2.gz MTVWZWYIIPSZLV-HSZRJFAPSA-N 2 1 377.532 3.677 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCC[C@H]1C ZINC000064754559 857739751 /nfs/dbraw/zinc/73/97/51/857739751.db2.gz NDDZSTXUAGNSMG-QRVBRYPASA-N 2 1 392.613 3.522 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1CCCC[C@H]1C ZINC000064754559 857739753 /nfs/dbraw/zinc/73/97/53/857739753.db2.gz NDDZSTXUAGNSMG-QRVBRYPASA-N 2 1 392.613 3.522 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1CCCC[C@H]1C ZINC000064754559 857739755 /nfs/dbraw/zinc/73/97/55/857739755.db2.gz NDDZSTXUAGNSMG-QRVBRYPASA-N 2 1 392.613 3.522 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168370950 857758477 /nfs/dbraw/zinc/75/84/77/857758477.db2.gz ASGUWCSGDCEFRJ-QHCPKHFHSA-N 2 1 391.600 3.974 20 0 GHADMP CCc1ccc([C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000665281363 857798427 /nfs/dbraw/zinc/79/84/27/857798427.db2.gz ABZPJHLXCILKAD-FGZHOGPDSA-N 2 1 388.577 3.705 20 0 GHADMP FC(F)(F)Cn1cc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000574393593 857809163 /nfs/dbraw/zinc/80/91/63/857809163.db2.gz BQOPHWOMBKCMCE-REPLKXPHSA-N 2 1 378.442 3.731 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000574393593 857809166 /nfs/dbraw/zinc/80/91/66/857809166.db2.gz BQOPHWOMBKCMCE-REPLKXPHSA-N 2 1 378.442 3.731 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000574393593 857809174 /nfs/dbraw/zinc/80/91/74/857809174.db2.gz BQOPHWOMBKCMCE-REPLKXPHSA-N 2 1 378.442 3.731 20 0 GHADMP CC(C)C(NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000676301332 857819947 /nfs/dbraw/zinc/81/99/47/857819947.db2.gz YQFVWJJNEQJGJO-UHFFFAOYSA-N 2 1 380.621 3.505 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1C ZINC000594006229 857859165 /nfs/dbraw/zinc/85/91/65/857859165.db2.gz XVOCAAGVCUKREQ-GOSISDBHSA-N 2 1 399.608 3.969 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000065872547 857869197 /nfs/dbraw/zinc/86/91/97/857869197.db2.gz CSELQOIARFIXRL-LJQANCHMSA-N 2 1 399.510 3.617 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000594107518 857905432 /nfs/dbraw/zinc/90/54/32/857905432.db2.gz IYNOUAHRGJLLTQ-OTWHNJEPSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594107518 857905437 /nfs/dbraw/zinc/90/54/37/857905437.db2.gz IYNOUAHRGJLLTQ-OTWHNJEPSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000594107518 857905443 /nfs/dbraw/zinc/90/54/43/857905443.db2.gz IYNOUAHRGJLLTQ-OTWHNJEPSA-N 2 1 392.613 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000067507224 858035400 /nfs/dbraw/zinc/03/54/00/858035400.db2.gz MCKKKPOKKCNMPR-LJQANCHMSA-N 2 1 375.520 3.754 20 0 GHADMP C[C@H](CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451333542 858121176 /nfs/dbraw/zinc/12/11/76/858121176.db2.gz BHGGTWONNAXGRI-FMCLHBCDSA-N 2 1 392.628 3.796 20 0 GHADMP C[C@H](CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451333542 858121179 /nfs/dbraw/zinc/12/11/79/858121179.db2.gz BHGGTWONNAXGRI-FMCLHBCDSA-N 2 1 392.628 3.796 20 0 GHADMP C[C@H](CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451333542 858121182 /nfs/dbraw/zinc/12/11/82/858121182.db2.gz BHGGTWONNAXGRI-FMCLHBCDSA-N 2 1 392.628 3.796 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000544348658 858152491 /nfs/dbraw/zinc/15/24/91/858152491.db2.gz RGWOMVPAXKIGLN-UHFFFAOYSA-N 2 1 376.570 3.504 20 0 GHADMP C[C@@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574797006 858320908 /nfs/dbraw/zinc/32/09/08/858320908.db2.gz PSVAJEHBNMCZGZ-DHLKQENFSA-N 2 1 377.576 3.757 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000443061353 858329767 /nfs/dbraw/zinc/32/97/67/858329767.db2.gz RHMSPNIOGIHLII-KSSFIOAISA-N 2 1 384.351 3.718 20 0 GHADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000575056767 858508118 /nfs/dbraw/zinc/50/81/18/858508118.db2.gz QWKRYKXYVBBKSU-VQIMIIECSA-N 2 1 397.485 3.694 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000521991179 858515130 /nfs/dbraw/zinc/51/51/30/858515130.db2.gz RRSLCGGJAPSYQH-IRLDBZIGSA-N 2 1 386.584 3.696 20 0 GHADMP C[C@H](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000181932059 863057869 /nfs/dbraw/zinc/05/78/69/863057869.db2.gz XMXTWXVIMGSRAY-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)c2)CCO1 ZINC000237519163 858772178 /nfs/dbraw/zinc/77/21/78/858772178.db2.gz VXBUMRWORLDFHE-SFHVURJKSA-N 2 1 380.532 3.911 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)c2)CCO1 ZINC000237519163 858772182 /nfs/dbraw/zinc/77/21/82/858772182.db2.gz VXBUMRWORLDFHE-SFHVURJKSA-N 2 1 380.532 3.911 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000482861535 858925285 /nfs/dbraw/zinc/92/52/85/858925285.db2.gz CKQRCMSYJTWXBD-FQEVSTJZSA-N 2 1 377.960 3.640 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C/c3ccc(F)cc3F)C2)ccn1 ZINC000856551551 881370910 /nfs/dbraw/zinc/37/09/10/881370910.db2.gz UKCFCPGZORNVOJ-KTBYTZPXSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)ccn1 ZINC000856551551 881370930 /nfs/dbraw/zinc/37/09/30/881370930.db2.gz UKCFCPGZORNVOJ-KTBYTZPXSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)ccn1 ZINC000856551551 881370949 /nfs/dbraw/zinc/37/09/49/881370949.db2.gz UKCFCPGZORNVOJ-KTBYTZPXSA-N 2 1 387.474 3.978 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368562470 859021900 /nfs/dbraw/zinc/02/19/00/859021900.db2.gz PEAKTQXMGJAXEA-LTFPLMDUSA-N 2 1 377.573 3.771 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185346028 859073071 /nfs/dbraw/zinc/07/30/71/859073071.db2.gz UHGGTJMWXCUBGU-DUXKGJEZSA-N 2 1 389.565 3.511 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673100 859114825 /nfs/dbraw/zinc/11/48/25/859114825.db2.gz KGHRGDQPOCUGKA-BXTJHSDWSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673100 859114834 /nfs/dbraw/zinc/11/48/34/859114834.db2.gz KGHRGDQPOCUGKA-BXTJHSDWSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185754861 859125988 /nfs/dbraw/zinc/12/59/88/859125988.db2.gz BWODLBUTBNUIIL-XAUMDUMWSA-N 2 1 384.486 3.851 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nccc4ccccc43)C2)ccn1 ZINC000856553689 881389919 /nfs/dbraw/zinc/38/99/19/881389919.db2.gz NXVHWLFFLDPVNM-OAQYLSRUSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nccc4ccccc43)C2)ccn1 ZINC000856553689 881389935 /nfs/dbraw/zinc/38/99/35/881389935.db2.gz NXVHWLFFLDPVNM-OAQYLSRUSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nccc4ccccc43)C2)ccn1 ZINC000856553689 881389949 /nfs/dbraw/zinc/38/99/49/881389949.db2.gz NXVHWLFFLDPVNM-OAQYLSRUSA-N 2 1 376.504 3.735 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483146568 859180894 /nfs/dbraw/zinc/18/08/94/859180894.db2.gz RBJHMUZLZKCADA-FCHUYYIVSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483146568 859180900 /nfs/dbraw/zinc/18/09/00/859180900.db2.gz RBJHMUZLZKCADA-FCHUYYIVSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483146568 859180905 /nfs/dbraw/zinc/18/09/05/859180905.db2.gz RBJHMUZLZKCADA-FCHUYYIVSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000483146529 859180915 /nfs/dbraw/zinc/18/09/15/859180915.db2.gz QUBXGWGPCKBVBL-ROUUACIJSA-N 2 1 383.540 3.805 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC000483170953 859203603 /nfs/dbraw/zinc/20/36/03/859203603.db2.gz UGRHIFPDDSCWKK-INIZCTEOSA-N 2 1 393.959 3.874 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1F ZINC000597057526 859254256 /nfs/dbraw/zinc/25/42/56/859254256.db2.gz MNECZPVFYFMKIV-BEFAXECRSA-N 2 1 376.497 3.847 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1F ZINC000597057526 859254265 /nfs/dbraw/zinc/25/42/65/859254265.db2.gz MNECZPVFYFMKIV-BEFAXECRSA-N 2 1 376.497 3.847 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759474 859279936 /nfs/dbraw/zinc/27/99/36/859279936.db2.gz XGRGCITWHWMRFN-LEWJYISDSA-N 2 1 388.577 3.518 20 0 GHADMP Clc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479953171 859322881 /nfs/dbraw/zinc/32/28/81/859322881.db2.gz DFMZBACZQIOJNC-HDICACEKSA-N 2 1 378.907 3.844 20 0 GHADMP Clc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479953171 859322889 /nfs/dbraw/zinc/32/28/89/859322889.db2.gz DFMZBACZQIOJNC-HDICACEKSA-N 2 1 378.907 3.844 20 0 GHADMP Cc1ccccc1C[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000626017265 859349028 /nfs/dbraw/zinc/34/90/28/859349028.db2.gz DRLZWTJAKCUSCI-OAQYLSRUSA-N 2 1 399.623 3.828 20 0 GHADMP FC(F)(F)c1ccc2oc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nc2c1 ZINC000483416978 859351613 /nfs/dbraw/zinc/35/16/13/859351613.db2.gz HJWKSRHUFIUZDI-UHFFFAOYSA-N 2 1 397.441 3.781 20 0 GHADMP COC1(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)CCCCC1 ZINC000856558407 881416651 /nfs/dbraw/zinc/41/66/51/881416651.db2.gz HFIYTTBWGSVMMR-NRFANRHFSA-N 2 1 375.557 3.724 20 0 GHADMP COC1(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)CCCCC1 ZINC000856558407 881416775 /nfs/dbraw/zinc/41/67/75/881416775.db2.gz HFIYTTBWGSVMMR-NRFANRHFSA-N 2 1 375.557 3.724 20 0 GHADMP COC1(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)CCCCC1 ZINC000856558407 881416914 /nfs/dbraw/zinc/41/69/14/881416914.db2.gz HFIYTTBWGSVMMR-NRFANRHFSA-N 2 1 375.557 3.724 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743209 859444161 /nfs/dbraw/zinc/44/41/61/859444161.db2.gz PFTLDCVNKOVRAB-JKSUJKDBSA-N 2 1 381.476 3.605 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743209 859444166 /nfs/dbraw/zinc/44/41/66/859444166.db2.gz PFTLDCVNKOVRAB-JKSUJKDBSA-N 2 1 381.476 3.605 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000114023093 859452506 /nfs/dbraw/zinc/45/25/06/859452506.db2.gz RUPLLJMLKKOPDY-UXHICEINSA-N 2 1 395.551 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000764716188 859579475 /nfs/dbraw/zinc/57/94/75/859579475.db2.gz UZTRHRDNTQFWHM-AUSIDOKSSA-N 2 1 377.532 3.814 20 0 GHADMP COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000114454066 859612784 /nfs/dbraw/zinc/61/27/84/859612784.db2.gz UFPJIFWKEGXLHV-JOCHJYFZSA-N 2 1 387.568 3.601 20 0 GHADMP CCC[N@H+](Cc1nc(-c2ccoc2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477140 859626674 /nfs/dbraw/zinc/62/66/74/859626674.db2.gz KUOHIVLRGLAFTH-UHFFFAOYSA-N 2 1 396.495 3.617 20 0 GHADMP CCC[N@@H+](Cc1nc(-c2ccoc2)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477140 859626681 /nfs/dbraw/zinc/62/66/81/859626681.db2.gz KUOHIVLRGLAFTH-UHFFFAOYSA-N 2 1 396.495 3.617 20 0 GHADMP C[C@@H]1CC([NH2+]Cc2ccc(-n3cccn3)nc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168030698 859638843 /nfs/dbraw/zinc/63/88/43/859638843.db2.gz WOLVERXICAOLGD-RTBURBONSA-N 2 1 375.520 3.799 20 0 GHADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117849194 859639311 /nfs/dbraw/zinc/63/93/11/859639311.db2.gz PNYADBYRNYMVJY-VQIMIIECSA-N 2 1 385.474 3.546 20 0 GHADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)C1CC1 ZINC000522427461 859807530 /nfs/dbraw/zinc/80/75/30/859807530.db2.gz KSNBVCXKXOWUBU-UHFFFAOYSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000522427461 859807541 /nfs/dbraw/zinc/80/75/41/859807541.db2.gz KSNBVCXKXOWUBU-UHFFFAOYSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000522427461 859807553 /nfs/dbraw/zinc/80/75/53/859807553.db2.gz KSNBVCXKXOWUBU-UHFFFAOYSA-N 2 1 386.584 3.735 20 0 GHADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000597811813 859843595 /nfs/dbraw/zinc/84/35/95/859843595.db2.gz GJBOJYKUYKMVOQ-QHCPKHFHSA-N 2 1 385.596 3.712 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1F ZINC000856561552 881468728 /nfs/dbraw/zinc/46/87/28/881468728.db2.gz PGGPXRQUQJJKTB-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1F ZINC000856561552 881468735 /nfs/dbraw/zinc/46/87/35/881468735.db2.gz PGGPXRQUQJJKTB-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1F ZINC000856561552 881468739 /nfs/dbraw/zinc/46/87/39/881468739.db2.gz PGGPXRQUQJJKTB-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)cs2)cc1 ZINC000922387440 859866180 /nfs/dbraw/zinc/86/61/80/859866180.db2.gz KZUGLHZPVPHOAQ-JBPLPALLSA-N 2 1 385.577 3.688 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(-c4cccs4)n3)C2)[C@H]1C(C)C ZINC000922392568 859894679 /nfs/dbraw/zinc/89/46/79/859894679.db2.gz DXIDKMHYOQXFQE-CIWUYKSXSA-N 2 1 391.606 3.831 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000765377422 859943521 /nfs/dbraw/zinc/94/35/21/859943521.db2.gz GJGOIFQSBGIMFP-QRVBRYPASA-N 2 1 376.545 3.739 20 0 GHADMP COc1ccc2c(NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)cc[nH+]c2c1 ZINC000765460162 859979203 /nfs/dbraw/zinc/97/92/03/859979203.db2.gz VZDYCMYAGMPNGI-UHFFFAOYSA-N 2 1 390.487 3.758 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417905753 860049777 /nfs/dbraw/zinc/04/97/77/860049777.db2.gz ANRJSZKFLLZSFD-XMSQKQJNSA-N 2 1 382.552 3.507 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(N3C[C@@H](CC[NH3+])c4ccccc43)c2c1C ZINC001168544742 860196231 /nfs/dbraw/zinc/19/62/31/860196231.db2.gz RFTHMZHAQMIJNP-OAHLLOKOSA-N 2 1 381.549 3.954 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474492081 860214391 /nfs/dbraw/zinc/21/43/91/860214391.db2.gz GRWMWUVKDKOJKA-GHTZIAJQSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474492081 860214402 /nfs/dbraw/zinc/21/44/02/860214402.db2.gz GRWMWUVKDKOJKA-GHTZIAJQSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474492081 860214412 /nfs/dbraw/zinc/21/44/12/860214412.db2.gz GRWMWUVKDKOJKA-GHTZIAJQSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474492081 860214420 /nfs/dbraw/zinc/21/44/20/860214420.db2.gz GRWMWUVKDKOJKA-GHTZIAJQSA-N 2 1 375.532 3.561 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CC3CC3)C3CCCCC3)cc2)CC1 ZINC000727832707 860285501 /nfs/dbraw/zinc/28/55/01/860285501.db2.gz YGXBJZKHIOKXML-UHFFFAOYSA-N 2 1 398.595 3.812 20 0 GHADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000904404723 860409991 /nfs/dbraw/zinc/40/99/91/860409991.db2.gz DUTMAMKYBPRQKZ-OAHLLOKOSA-N 2 1 390.325 3.594 20 0 GHADMP C[C@H](NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000904588765 860512038 /nfs/dbraw/zinc/51/20/38/860512038.db2.gz XFKFALKJARPEAG-HKUYNNGSSA-N 2 1 380.536 3.913 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)c2)CCO1 ZINC000474618582 860535853 /nfs/dbraw/zinc/53/58/53/860535853.db2.gz DGXLDOJICCXHBY-SFHVURJKSA-N 2 1 394.494 3.522 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)c2)CCO1 ZINC000474618582 860535861 /nfs/dbraw/zinc/53/58/61/860535861.db2.gz DGXLDOJICCXHBY-SFHVURJKSA-N 2 1 394.494 3.522 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc4nsnc43)C2)ccn1 ZINC000856598774 881573226 /nfs/dbraw/zinc/57/32/26/881573226.db2.gz BYKGJGUSRIGLNP-LJQANCHMSA-N 2 1 397.548 3.580 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc4nsnc43)C2)ccn1 ZINC000856598774 881573245 /nfs/dbraw/zinc/57/32/45/881573245.db2.gz BYKGJGUSRIGLNP-LJQANCHMSA-N 2 1 397.548 3.580 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc4nsnc43)C2)ccn1 ZINC000856598774 881573253 /nfs/dbraw/zinc/57/32/53/881573253.db2.gz BYKGJGUSRIGLNP-LJQANCHMSA-N 2 1 397.548 3.580 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600749 881574782 /nfs/dbraw/zinc/57/47/82/881574782.db2.gz WSNZIWLQTLVGHT-QHCPKHFHSA-N 2 1 395.547 3.553 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600749 881574791 /nfs/dbraw/zinc/57/47/91/881574791.db2.gz WSNZIWLQTLVGHT-QHCPKHFHSA-N 2 1 395.547 3.553 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856600749 881574805 /nfs/dbraw/zinc/57/48/05/881574805.db2.gz WSNZIWLQTLVGHT-QHCPKHFHSA-N 2 1 395.547 3.553 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606493 881585644 /nfs/dbraw/zinc/58/56/44/881585644.db2.gz JVMZFCQTKDZNHP-YJBOKZPZSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606493 881585650 /nfs/dbraw/zinc/58/56/50/881585650.db2.gz JVMZFCQTKDZNHP-YJBOKZPZSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606493 881585659 /nfs/dbraw/zinc/58/56/59/881585659.db2.gz JVMZFCQTKDZNHP-YJBOKZPZSA-N 2 1 386.367 3.959 20 0 GHADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000669691635 860977329 /nfs/dbraw/zinc/97/73/29/860977329.db2.gz KDPCDZYLYJADFW-JXFKEZNVSA-N 2 1 383.502 3.909 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1(C)C ZINC000623387542 860980055 /nfs/dbraw/zinc/98/00/55/860980055.db2.gz HWEVCQYTRBCALE-RTBURBONSA-N 2 1 399.501 3.541 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000481315441 861052134 /nfs/dbraw/zinc/05/21/34/861052134.db2.gz WNGPIYZMNKBJAO-GBXCKJPGSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000481315441 861052143 /nfs/dbraw/zinc/05/21/43/861052143.db2.gz WNGPIYZMNKBJAO-GBXCKJPGSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@H](C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000599314554 861054500 /nfs/dbraw/zinc/05/45/00/861054500.db2.gz HKRRYRMYHWYPPG-HXUWFJFHSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H](C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000599314554 861054515 /nfs/dbraw/zinc/05/45/15/861054515.db2.gz HKRRYRMYHWYPPG-HXUWFJFHSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCc2ccccc2C1 ZINC000599314554 861054533 /nfs/dbraw/zinc/05/45/33/861054533.db2.gz HKRRYRMYHWYPPG-HXUWFJFHSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCc2ccccc2C1 ZINC000599314554 861054551 /nfs/dbraw/zinc/05/45/51/861054551.db2.gz HKRRYRMYHWYPPG-HXUWFJFHSA-N 2 1 383.580 3.548 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000600124487 861063838 /nfs/dbraw/zinc/06/38/38/861063838.db2.gz UAUIRYHACINXGO-SFHVURJKSA-N 2 1 381.520 3.780 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000600124487 861063855 /nfs/dbraw/zinc/06/38/55/861063855.db2.gz UAUIRYHACINXGO-SFHVURJKSA-N 2 1 381.520 3.780 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000481330688 861079184 /nfs/dbraw/zinc/07/91/84/861079184.db2.gz FJGVDKODFSILLQ-URXFXBBRSA-N 2 1 387.612 3.686 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000600142499 861116023 /nfs/dbraw/zinc/11/60/23/861116023.db2.gz OXPWFLYGYGJVPW-QUCCMNQESA-N 2 1 381.520 3.649 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[N@H+]1C1CC1 ZINC000177120933 861161322 /nfs/dbraw/zinc/16/13/22/861161322.db2.gz DVHZIGXEOOOKMM-GCJKJVERSA-N 2 1 377.532 3.674 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000605511598 863094217 /nfs/dbraw/zinc/09/42/17/863094217.db2.gz DLKHHPFNUKJTCG-LJQANCHMSA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000605511598 863094236 /nfs/dbraw/zinc/09/42/36/863094236.db2.gz DLKHHPFNUKJTCG-LJQANCHMSA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000605511598 863094254 /nfs/dbraw/zinc/09/42/54/863094254.db2.gz DLKHHPFNUKJTCG-LJQANCHMSA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000605511598 863094272 /nfs/dbraw/zinc/09/42/72/863094272.db2.gz DLKHHPFNUKJTCG-LJQANCHMSA-N 2 1 379.548 3.590 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000605963323 863334662 /nfs/dbraw/zinc/33/46/62/863334662.db2.gz QMVSTXSQXXAGCF-PZJWPPBQSA-N 2 1 398.551 3.578 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000605963323 863334670 /nfs/dbraw/zinc/33/46/70/863334670.db2.gz QMVSTXSQXXAGCF-PZJWPPBQSA-N 2 1 398.551 3.578 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000182785721 863355284 /nfs/dbraw/zinc/35/52/84/863355284.db2.gz HKFDAZYDBMIQRU-UHFFFAOYSA-N 2 1 375.557 3.776 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856723949 881688523 /nfs/dbraw/zinc/68/85/23/881688523.db2.gz MUNZKEIXPYHPOY-UHFFFAOYSA-N 2 1 392.609 3.578 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856723949 881688536 /nfs/dbraw/zinc/68/85/36/881688536.db2.gz MUNZKEIXPYHPOY-UHFFFAOYSA-N 2 1 392.609 3.578 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000606662228 863752391 /nfs/dbraw/zinc/75/23/91/863752391.db2.gz WEUZZLVJWZXSKY-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000606704569 863770216 /nfs/dbraw/zinc/77/02/16/863770216.db2.gz OGVMQCROAZKMAV-SFHVURJKSA-N 2 1 392.613 3.618 20 0 GHADMP C[NH+](C)C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC000499250366 881710587 /nfs/dbraw/zinc/71/05/87/881710587.db2.gz BWRQZNKXBVKMKY-MPIKPJSNSA-N 2 1 389.587 3.871 20 0 GHADMP CN(C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC000499250366 881710598 /nfs/dbraw/zinc/71/05/98/881710598.db2.gz BWRQZNKXBVKMKY-MPIKPJSNSA-N 2 1 389.587 3.871 20 0 GHADMP CN(C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC000499250366 881710607 /nfs/dbraw/zinc/71/06/07/881710607.db2.gz BWRQZNKXBVKMKY-MPIKPJSNSA-N 2 1 389.587 3.871 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518405 864077096 /nfs/dbraw/zinc/07/70/96/864077096.db2.gz HSXXSIBHLSYYPV-XPWALMASSA-N 2 1 391.559 3.779 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898518677 864078294 /nfs/dbraw/zinc/07/82/94/864078294.db2.gz JCGDYKWNPHCQSE-RMMWZPCPSA-N 2 1 382.470 3.987 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607282938 864239977 /nfs/dbraw/zinc/23/99/77/864239977.db2.gz XTEOWKLDVONBBK-XMMPIXPASA-N 2 1 391.559 3.953 20 0 GHADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000480245147 864310767 /nfs/dbraw/zinc/31/07/67/864310767.db2.gz WKEOYHYIOOBUEM-CRAIPNDOSA-N 2 1 385.474 3.595 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(N2CCOCC2)c1 ZINC000480242277 864332640 /nfs/dbraw/zinc/33/26/40/864332640.db2.gz ATEQYJKQKHBFJJ-FQEVSTJZSA-N 2 1 379.548 3.622 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(N2CCOCC2)c1 ZINC000480242277 864332652 /nfs/dbraw/zinc/33/26/52/864332652.db2.gz ATEQYJKQKHBFJJ-FQEVSTJZSA-N 2 1 379.548 3.622 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057481 864405066 /nfs/dbraw/zinc/40/50/66/864405066.db2.gz NJQWIRJWDONUAP-NPPFBWRTSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168057481 864405070 /nfs/dbraw/zinc/40/50/70/864405070.db2.gz NJQWIRJWDONUAP-NPPFBWRTSA-N 2 1 380.536 3.680 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000120818498 881770595 /nfs/dbraw/zinc/77/05/95/881770595.db2.gz VMXHMUUOSQGLIW-OAQYLSRUSA-N 3 1 386.628 3.675 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000120818498 881770603 /nfs/dbraw/zinc/77/06/03/881770603.db2.gz VMXHMUUOSQGLIW-OAQYLSRUSA-N 2 1 386.628 3.675 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000120818498 881770612 /nfs/dbraw/zinc/77/06/12/881770612.db2.gz VMXHMUUOSQGLIW-OAQYLSRUSA-N 2 1 386.628 3.675 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000607669377 864624500 /nfs/dbraw/zinc/62/45/00/864624500.db2.gz PUDLDXZAIZCLMN-IBGZPJMESA-N 2 1 398.551 3.655 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000607669377 864624505 /nfs/dbraw/zinc/62/45/05/864624505.db2.gz PUDLDXZAIZCLMN-IBGZPJMESA-N 2 1 398.551 3.655 20 0 GHADMP COCC[N@@H+](C)CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994942 864706681 /nfs/dbraw/zinc/70/66/81/864706681.db2.gz SSGIKDMCIOUUCG-WIYYLYMNSA-N 2 1 384.520 3.818 20 0 GHADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000166013761 864708301 /nfs/dbraw/zinc/70/83/01/864708301.db2.gz UUCRUWAQFMMPPH-RDPSFJRHSA-N 2 1 380.532 3.776 20 0 GHADMP Cc1ccc(C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C(C)C)cc1 ZINC000480617850 864956753 /nfs/dbraw/zinc/95/67/53/864956753.db2.gz WAZZCOCRVLYMBI-XMMPIXPASA-N 2 1 393.575 3.740 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2c(s1)CCCC2 ZINC000480605372 864963164 /nfs/dbraw/zinc/96/31/64/864963164.db2.gz CCLSCADWKIEPJN-QGZVFWFLSA-N 2 1 397.588 3.865 20 0 GHADMP COc1cccc(C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)c1 ZINC000120964926 881822729 /nfs/dbraw/zinc/82/27/29/881822729.db2.gz KXRGAZDFDANMJI-DEOSSOPVSA-N 2 1 380.532 3.638 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC(C)(C)c4ccccc43)cc2)CC1 ZINC000480643689 865003602 /nfs/dbraw/zinc/00/36/02/865003602.db2.gz OMTZBSUPXHHDTB-JOCHJYFZSA-N 2 1 377.532 3.586 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000554969840 865270971 /nfs/dbraw/zinc/27/09/71/865270971.db2.gz YVRSIWFEBKJLHI-OAHLLOKOSA-N 2 1 379.346 3.699 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(OC)c1 ZINC000480796070 865288439 /nfs/dbraw/zinc/28/84/39/865288439.db2.gz MEIXQSIKDWQXOK-AUSIDOKSSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301417069 865350043 /nfs/dbraw/zinc/35/00/43/865350043.db2.gz CBCHFTFYWYKJEW-UHFFFAOYSA-N 2 1 378.314 3.544 20 0 GHADMP CCN1CC[NH+]([C@@H](C)CNc2cc(C)[nH+]c3ccc(OC(F)F)cc23)CC1 ZINC000301496933 865390071 /nfs/dbraw/zinc/39/00/71/865390071.db2.gz BNGRIYZZORBLOM-HNNXBMFYSA-N 2 1 378.467 3.583 20 0 GHADMP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000671240228 865714185 /nfs/dbraw/zinc/71/41/85/865714185.db2.gz KSKBYMZMLQSYQO-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC(C[NH+]4CCCCCC4)CC3)C2)cc1 ZINC000671240228 865714191 /nfs/dbraw/zinc/71/41/91/865714191.db2.gz KSKBYMZMLQSYQO-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP Cc1ccc2[nH+]ccc(NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)c2c1 ZINC000302138650 865729391 /nfs/dbraw/zinc/72/93/91/865729391.db2.gz CPWPGWBDDJWEOJ-HXUWFJFHSA-N 2 1 388.515 3.853 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000741081750 866226244 /nfs/dbraw/zinc/22/62/44/866226244.db2.gz ZEMACKVEGLBVNX-OAQYLSRUSA-N 2 1 388.600 3.805 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000303912912 866400310 /nfs/dbraw/zinc/40/03/10/866400310.db2.gz XJVNIBBZEMNWOI-QFIPXVFZSA-N 2 1 378.520 3.834 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1ccccc1 ZINC000303912912 866400317 /nfs/dbraw/zinc/40/03/17/866400317.db2.gz XJVNIBBZEMNWOI-QFIPXVFZSA-N 2 1 378.520 3.834 20 0 GHADMP COc1ccc([C@@H]2[C@@H](COC(=O)c3ccc4c[nH+]cn4c3)CCC[N@H+]2C)cc1 ZINC000793158218 881981071 /nfs/dbraw/zinc/98/10/71/881981071.db2.gz RXJWVPAHWWBNFQ-WIYYLYMNSA-N 2 1 379.460 3.583 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000552919589 866493124 /nfs/dbraw/zinc/49/31/24/866493124.db2.gz IYPSMUGGSCSJII-SYYKKAFVSA-N 2 1 377.532 3.985 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000793202018 881985769 /nfs/dbraw/zinc/98/57/69/881985769.db2.gz CQIPMISHINATAX-ZCNNSNEGSA-N 2 1 394.506 3.855 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000534352394 866602294 /nfs/dbraw/zinc/60/22/94/866602294.db2.gz LHUQXYABSGEZJO-LBPRGKRZSA-N 2 1 379.295 3.505 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000534337410 866613882 /nfs/dbraw/zinc/61/38/82/866613882.db2.gz RFYDIQIEOMWCCV-IBGZPJMESA-N 2 1 399.501 3.762 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000534337237 866613945 /nfs/dbraw/zinc/61/39/45/866613945.db2.gz QHUDQKBNNLNMHJ-LJQANCHMSA-N 2 1 399.501 3.760 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122292 866785359 /nfs/dbraw/zinc/78/53/59/866785359.db2.gz NUTHVMOOUUEQQZ-RXVVDRJESA-N 2 1 391.987 3.899 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000741788438 866789135 /nfs/dbraw/zinc/78/91/35/866789135.db2.gz UNEXGNNXZSPGDR-UXHICEINSA-N 2 1 379.589 3.831 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000444569989 866896874 /nfs/dbraw/zinc/89/68/74/866896874.db2.gz GFURUXAJBMPZOT-KSZLIROESA-N 2 1 383.540 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000444569989 866896893 /nfs/dbraw/zinc/89/68/93/866896893.db2.gz GFURUXAJBMPZOT-KSZLIROESA-N 2 1 383.540 3.804 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCc4c(C)cccc43)CC2)CC1 ZINC000620674060 866931203 /nfs/dbraw/zinc/93/12/03/866931203.db2.gz RZMGOYXIDHJDCZ-HSZRJFAPSA-N 2 1 383.580 3.685 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC([NH3+])(c2cccc(OC)c2)CC1 ZINC001170428691 882062044 /nfs/dbraw/zinc/06/20/44/882062044.db2.gz LOEPDXQAOIALHX-IBGZPJMESA-N 2 1 382.504 3.695 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000479182317 867296404 /nfs/dbraw/zinc/29/64/04/867296404.db2.gz CMWAHESZKUBOTJ-VGSWGCGISA-N 2 1 383.511 3.559 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000620796088 867501174 /nfs/dbraw/zinc/50/11/74/867501174.db2.gz KUUOOLLRZUVMFA-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000620796088 867501197 /nfs/dbraw/zinc/50/11/97/867501197.db2.gz KUUOOLLRZUVMFA-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000620796088 867501210 /nfs/dbraw/zinc/50/12/10/867501210.db2.gz KUUOOLLRZUVMFA-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000154991649 867698139 /nfs/dbraw/zinc/69/81/39/867698139.db2.gz QZYUYKNRRWAZJW-OAQYLSRUSA-N 2 1 375.532 3.543 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000479417381 867710415 /nfs/dbraw/zinc/71/04/15/867710415.db2.gz IMLVSPDCNRRHLE-HXUWFJFHSA-N 2 1 378.605 3.549 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000553598958 867719217 /nfs/dbraw/zinc/71/92/17/867719217.db2.gz AQJCRWNTTRPSID-IBGZPJMESA-N 2 1 380.964 3.506 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4sccc43)c2)C1 ZINC000268961929 867863221 /nfs/dbraw/zinc/86/32/21/867863221.db2.gz XLLGXBHNGRYJFX-ICSRJNTNSA-N 2 1 383.561 3.613 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000523782699 867955423 /nfs/dbraw/zinc/95/54/23/867955423.db2.gz AJIPQMPUSNRUTI-XLIONFOSSA-N 2 1 394.991 3.706 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857247832 882142155 /nfs/dbraw/zinc/14/21/55/882142155.db2.gz GBDKTPIRPVSUPD-GGAORHGYSA-N 2 1 395.547 3.537 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000133313416 882168371 /nfs/dbraw/zinc/16/83/71/882168371.db2.gz MNJQDVNITWKDHP-SXLOBPIMSA-N 2 1 376.541 3.636 20 0 GHADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000156211601 868289181 /nfs/dbraw/zinc/28/91/81/868289181.db2.gz DXRSASRGEUIJPF-MSOLQXFVSA-N 2 1 389.565 3.619 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000535201580 868338309 /nfs/dbraw/zinc/33/83/09/868338309.db2.gz MBJGHGWWGZNWAT-GFCCVEGCSA-N 2 1 379.295 3.505 20 0 GHADMP C[C@H](CCc1ccccc1F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156921299 868502195 /nfs/dbraw/zinc/50/21/95/868502195.db2.gz QXKLLUWGWVJGIH-GCJKJVERSA-N 2 1 397.538 3.634 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[N@H+]5CCC[C@@H]5C4)cc3)nc12 ZINC000621055832 868612825 /nfs/dbraw/zinc/61/28/25/868612825.db2.gz BDYYYTVQSXYSBV-IFMALSPDSA-N 2 1 390.531 3.938 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157510771 868673856 /nfs/dbraw/zinc/67/38/56/868673856.db2.gz OCHUDQXFZJTZOQ-HOTGVXAUSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157510771 868673862 /nfs/dbraw/zinc/67/38/62/868673862.db2.gz OCHUDQXFZJTZOQ-HOTGVXAUSA-N 2 1 387.351 3.683 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000157648476 868716894 /nfs/dbraw/zinc/71/68/94/868716894.db2.gz WAAXSZADPYYURI-OALUTQOASA-N 2 1 390.535 3.745 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3CCO)CC1 ZINC000648434159 882230803 /nfs/dbraw/zinc/23/08/03/882230803.db2.gz SDVXBWBYWIZVJT-LJQANCHMSA-N 2 1 376.589 3.522 20 0 GHADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000479974491 868830166 /nfs/dbraw/zinc/83/01/66/868830166.db2.gz GBYDUSDPEJMFBS-IYBDPMFKSA-N 2 1 387.499 3.708 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000158198080 868891380 /nfs/dbraw/zinc/89/13/80/868891380.db2.gz NXDVIWCCRNCVNF-DYESRHJHSA-N 2 1 390.572 3.568 20 0 GHADMP CCC[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000539522356 869280666 /nfs/dbraw/zinc/28/06/66/869280666.db2.gz KBGUQUWIVZJBCY-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000524589312 869282887 /nfs/dbraw/zinc/28/28/87/869282887.db2.gz CQGYMSQVADDKLA-NWSQWKLXSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000524589312 869282894 /nfs/dbraw/zinc/28/28/94/869282894.db2.gz CQGYMSQVADDKLA-NWSQWKLXSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000524589312 869282904 /nfs/dbraw/zinc/28/29/04/869282904.db2.gz CQGYMSQVADDKLA-NWSQWKLXSA-N 2 1 398.595 3.698 20 0 GHADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000446207098 869544782 /nfs/dbraw/zinc/54/47/82/869544782.db2.gz SMMWCLILXFRSBM-IBGZPJMESA-N 2 1 388.556 3.597 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000446207098 869544789 /nfs/dbraw/zinc/54/47/89/869544789.db2.gz SMMWCLILXFRSBM-IBGZPJMESA-N 2 1 388.556 3.597 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)c2cccs2)CC1 ZINC000766332657 869635548 /nfs/dbraw/zinc/63/55/48/869635548.db2.gz WNUQXNKGPCNUIT-UYSNPLJNSA-N 2 1 375.504 3.747 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000537637773 882360623 /nfs/dbraw/zinc/36/06/23/882360623.db2.gz VDFYXWVVBBOSAO-UHFFFAOYSA-N 2 1 397.592 3.868 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2c(C)nc3sccn23)CC1 ZINC000537637773 882360640 /nfs/dbraw/zinc/36/06/40/882360640.db2.gz VDFYXWVVBBOSAO-UHFFFAOYSA-N 2 1 397.592 3.868 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462749047 870015223 /nfs/dbraw/zinc/01/52/23/870015223.db2.gz GRKSWCZTNVHNRZ-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]1C[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000446592407 870041324 /nfs/dbraw/zinc/04/13/24/870041324.db2.gz WSFSKROHKOAQPJ-RXVVDRJESA-N 2 1 380.536 3.575 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539969488 870129013 /nfs/dbraw/zinc/12/90/13/870129013.db2.gz MGPXBGUZUCEAJY-HXUWFJFHSA-N 2 1 394.401 3.834 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001170436611 882384006 /nfs/dbraw/zinc/38/40/06/882384006.db2.gz JKHLUKKQMKAVSL-RTBURBONSA-N 2 1 388.552 3.748 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000540046238 870252289 /nfs/dbraw/zinc/25/22/89/870252289.db2.gz YXYGEDZETIQEBB-UHFFFAOYSA-N 2 1 392.547 3.747 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247983979 870254668 /nfs/dbraw/zinc/25/46/68/870254668.db2.gz IRFZFGLPXSSTJS-MZKRTTBSSA-N 2 1 384.568 3.719 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247983979 870254675 /nfs/dbraw/zinc/25/46/75/870254675.db2.gz IRFZFGLPXSSTJS-MZKRTTBSSA-N 2 1 384.568 3.719 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247983974 870254939 /nfs/dbraw/zinc/25/49/39/870254939.db2.gz IRFZFGLPXSSTJS-JTAQYXEDSA-N 2 1 384.568 3.719 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247983974 870254953 /nfs/dbraw/zinc/25/49/53/870254953.db2.gz IRFZFGLPXSSTJS-JTAQYXEDSA-N 2 1 384.568 3.719 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000462883651 870295582 /nfs/dbraw/zinc/29/55/82/870295582.db2.gz LJEACMLRIBFDNK-QHCPKHFHSA-N 2 1 379.548 3.697 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000248153359 870301930 /nfs/dbraw/zinc/30/19/30/870301930.db2.gz RBDAEJVHPXUFRD-KNQAVFIVSA-N 2 1 397.950 3.814 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000248159277 870303308 /nfs/dbraw/zinc/30/33/08/870303308.db2.gz RWQXRTLXTRKQAZ-XMSQKQJNSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248397561 870369108 /nfs/dbraw/zinc/36/91/08/870369108.db2.gz IAHUQLUDOKFWDC-NNWRFLSQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397561 870369165 /nfs/dbraw/zinc/36/91/65/870369165.db2.gz IAHUQLUDOKFWDC-NNWRFLSQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397561 870369208 /nfs/dbraw/zinc/36/92/08/870369208.db2.gz IAHUQLUDOKFWDC-NNWRFLSQSA-N 2 1 398.595 3.603 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)[C@H](C)C1 ZINC000248423555 870406228 /nfs/dbraw/zinc/40/62/28/870406228.db2.gz ZGHXWXKIHNFFRT-VCXBPWIGSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H](C)C1 ZINC000248423555 870406236 /nfs/dbraw/zinc/40/62/36/870406236.db2.gz ZGHXWXKIHNFFRT-VCXBPWIGSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H](C)C1 ZINC000248423555 870406245 /nfs/dbraw/zinc/40/62/45/870406245.db2.gz ZGHXWXKIHNFFRT-VCXBPWIGSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)[C@H](C)C1 ZINC000248423555 870406253 /nfs/dbraw/zinc/40/62/53/870406253.db2.gz ZGHXWXKIHNFFRT-VCXBPWIGSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)[C@H](C)C1 ZINC000248423555 870406260 /nfs/dbraw/zinc/40/62/60/870406260.db2.gz ZGHXWXKIHNFFRT-VCXBPWIGSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H](C)C1 ZINC000248423555 870406268 /nfs/dbraw/zinc/40/62/68/870406268.db2.gz ZGHXWXKIHNFFRT-VCXBPWIGSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H](C)C1 ZINC000248423555 870406274 /nfs/dbraw/zinc/40/62/74/870406274.db2.gz ZGHXWXKIHNFFRT-VCXBPWIGSA-N 3 1 399.623 3.624 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@@H]1C ZINC000538720146 870416780 /nfs/dbraw/zinc/41/67/80/870416780.db2.gz JHAYZRLOXBMTKT-PXNSSMCTSA-N 2 1 398.551 3.553 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@@H]1C ZINC000538720146 870416791 /nfs/dbraw/zinc/41/67/91/870416791.db2.gz JHAYZRLOXBMTKT-PXNSSMCTSA-N 2 1 398.551 3.553 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@@H]1C ZINC000538720146 870416802 /nfs/dbraw/zinc/41/68/02/870416802.db2.gz JHAYZRLOXBMTKT-PXNSSMCTSA-N 2 1 398.551 3.553 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@@H]1C ZINC000538720146 870416814 /nfs/dbraw/zinc/41/68/14/870416814.db2.gz JHAYZRLOXBMTKT-PXNSSMCTSA-N 2 1 398.551 3.553 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000538720097 870416864 /nfs/dbraw/zinc/41/68/64/870416864.db2.gz GOIZVTBTJGQLPY-KRWDZBQOSA-N 2 1 386.492 3.678 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000538720097 870416875 /nfs/dbraw/zinc/41/68/75/870416875.db2.gz GOIZVTBTJGQLPY-KRWDZBQOSA-N 2 1 386.492 3.678 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248584189 870515377 /nfs/dbraw/zinc/51/53/77/870515377.db2.gz PKFDDLXYMQSQLS-AVYPCKFXSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248584189 870515392 /nfs/dbraw/zinc/51/53/92/870515392.db2.gz PKFDDLXYMQSQLS-AVYPCKFXSA-N 2 1 393.934 3.827 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000540168617 870652667 /nfs/dbraw/zinc/65/26/67/870652667.db2.gz DTSDBEWTWJFLCY-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000540168617 870652685 /nfs/dbraw/zinc/65/26/85/870652685.db2.gz DTSDBEWTWJFLCY-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000525452515 870712464 /nfs/dbraw/zinc/71/24/64/870712464.db2.gz HSEYTCGIUTWOLT-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)CC1)CC1CC1 ZINC000538857585 870755094 /nfs/dbraw/zinc/75/50/94/870755094.db2.gz JRLRBWACDLNERC-UHFFFAOYSA-N 2 1 388.552 3.800 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC1)CC(C)C ZINC000540279888 870900299 /nfs/dbraw/zinc/90/02/99/870900299.db2.gz BQQFBAZHYPRVRB-QFIPXVFZSA-N 2 1 394.648 3.754 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1)CC(C)C ZINC000540279888 870900307 /nfs/dbraw/zinc/90/03/07/870900307.db2.gz BQQFBAZHYPRVRB-QFIPXVFZSA-N 2 1 394.648 3.754 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1)CC(C)C ZINC000540279888 870900312 /nfs/dbraw/zinc/90/03/12/870900312.db2.gz BQQFBAZHYPRVRB-QFIPXVFZSA-N 2 1 394.648 3.754 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cncc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000463111523 870905488 /nfs/dbraw/zinc/90/54/88/870905488.db2.gz YOOOLTYVNLXWJL-HOTGVXAUSA-N 2 1 385.474 3.812 20 0 GHADMP CCN(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000447053521 870926361 /nfs/dbraw/zinc/92/63/61/870926361.db2.gz DBLUYQYCMXJTKL-AUSIDOKSSA-N 2 1 398.595 3.728 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000463126126 870937020 /nfs/dbraw/zinc/93/70/20/870937020.db2.gz YHSNEVCHMBLGFQ-ZQRMPTRQSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000463126126 870937030 /nfs/dbraw/zinc/93/70/30/870937030.db2.gz YHSNEVCHMBLGFQ-ZQRMPTRQSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)C1 ZINC000463126126 870937042 /nfs/dbraw/zinc/93/70/42/870937042.db2.gz YHSNEVCHMBLGFQ-ZQRMPTRQSA-N 2 1 387.612 3.766 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463137270 870984951 /nfs/dbraw/zinc/98/49/51/870984951.db2.gz JVDCCJCOOZNWDF-KNQAVFIVSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000463137270 870984966 /nfs/dbraw/zinc/98/49/66/870984966.db2.gz JVDCCJCOOZNWDF-KNQAVFIVSA-N 2 1 377.532 3.956 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000191464235 882481398 /nfs/dbraw/zinc/48/13/98/882481398.db2.gz HGCUEMGQZNOQHS-UHFFFAOYSA-N 2 1 394.401 3.830 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000540393705 871163418 /nfs/dbraw/zinc/16/34/18/871163418.db2.gz NTQWPLIXHJWGKD-HSALFYBXSA-N 2 1 378.944 3.911 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169097827 871174066 /nfs/dbraw/zinc/17/40/66/871174066.db2.gz CDUVHMFFSRGENN-NFSXTHTRSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(S(C)(=O)=O)c3)cc2)C1 ZINC000449080816 871197817 /nfs/dbraw/zinc/19/78/17/871197817.db2.gz ZKJDIPNGPRGOQG-GOSISDBHSA-N 2 1 386.561 3.612 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539065931 871239817 /nfs/dbraw/zinc/23/98/17/871239817.db2.gz DWNCHEZGTNYSFA-UGKGYDQZSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000539065931 871239830 /nfs/dbraw/zinc/23/98/30/871239830.db2.gz DWNCHEZGTNYSFA-UGKGYDQZSA-N 2 1 383.580 3.810 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCc3ccccc3N1C(=O)OC(C)(C)C)C2 ZINC001169111835 871240013 /nfs/dbraw/zinc/24/00/13/871240013.db2.gz QFMMGKKMMNNEQK-IYWMVGAKSA-N 2 1 385.552 3.958 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463241931 871247965 /nfs/dbraw/zinc/24/79/65/871247965.db2.gz FZIBWQILYJZVEZ-LGKPFJOYSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463241931 871247983 /nfs/dbraw/zinc/24/79/83/871247983.db2.gz FZIBWQILYJZVEZ-LGKPFJOYSA-N 2 1 383.580 3.810 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000539070598 871254889 /nfs/dbraw/zinc/25/48/89/871254889.db2.gz IGXWFEPULUVNFT-JPYJTQIMSA-N 2 1 381.520 3.524 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000539070598 871254904 /nfs/dbraw/zinc/25/49/04/871254904.db2.gz IGXWFEPULUVNFT-JPYJTQIMSA-N 2 1 381.520 3.524 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153590 871268110 /nfs/dbraw/zinc/26/81/10/871268110.db2.gz LHETYBCNRGYJMJ-LILSUDLASA-N 2 1 388.527 3.985 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153590 871268124 /nfs/dbraw/zinc/26/81/24/871268124.db2.gz LHETYBCNRGYJMJ-LILSUDLASA-N 2 1 388.527 3.985 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153590 871268139 /nfs/dbraw/zinc/26/81/39/871268139.db2.gz LHETYBCNRGYJMJ-LILSUDLASA-N 2 1 388.527 3.985 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160031 871271022 /nfs/dbraw/zinc/27/10/22/871271022.db2.gz AJCYZGNTKWCGLY-WCIQWLHISA-N 2 1 377.573 3.866 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160031 871271039 /nfs/dbraw/zinc/27/10/39/871271039.db2.gz AJCYZGNTKWCGLY-WCIQWLHISA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160031 871271056 /nfs/dbraw/zinc/27/10/56/871271056.db2.gz AJCYZGNTKWCGLY-WCIQWLHISA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160031 871271071 /nfs/dbraw/zinc/27/10/71/871271071.db2.gz AJCYZGNTKWCGLY-WCIQWLHISA-N 2 1 377.573 3.866 20 0 GHADMP CC[NH+]1CCC([NH2+]C2(Cc3ccc(Br)cc3)CCOCC2)CC1 ZINC001169241923 871341676 /nfs/dbraw/zinc/34/16/76/871341676.db2.gz URFLTBKHTUVMSN-UHFFFAOYSA-N 2 1 381.358 3.615 20 0 GHADMP CC[NH+]1CCC([N@@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169246694 871346061 /nfs/dbraw/zinc/34/60/61/871346061.db2.gz VAHFFEJQVJDHSM-OAQYLSRUSA-N 2 1 399.579 3.807 20 0 GHADMP CC[NH+]1CCC([N@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169246694 871346083 /nfs/dbraw/zinc/34/60/83/871346083.db2.gz VAHFFEJQVJDHSM-OAQYLSRUSA-N 2 1 399.579 3.807 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C4CCCCC4)C3)CC2)CC1 ZINC000618186560 871393876 /nfs/dbraw/zinc/39/38/76/871393876.db2.gz OHQZSNRZHGUETL-OAQYLSRUSA-N 2 1 375.601 3.612 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492352 871411422 /nfs/dbraw/zinc/41/14/22/871411422.db2.gz IVPVZJJOHYWRMQ-IRLDBZIGSA-N 2 1 385.596 3.932 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492352 871411430 /nfs/dbraw/zinc/41/14/30/871411430.db2.gz IVPVZJJOHYWRMQ-IRLDBZIGSA-N 3 1 385.596 3.932 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492352 871411439 /nfs/dbraw/zinc/41/14/39/871411439.db2.gz IVPVZJJOHYWRMQ-IRLDBZIGSA-N 3 1 385.596 3.932 20 0 GHADMP FC(F)(F)Oc1ccc(CCNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001169353434 871444974 /nfs/dbraw/zinc/44/49/74/871444974.db2.gz PASWJVGHVPEMSA-UHFFFAOYSA-N 2 1 376.382 3.574 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC000618281740 871466159 /nfs/dbraw/zinc/46/61/59/871466159.db2.gz QDRNQNGAARRKBF-UHFFFAOYSA-N 2 1 377.617 3.858 20 0 GHADMP CC(C)([NH3+])c1ccccc1N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517489 871624257 /nfs/dbraw/zinc/62/42/57/871624257.db2.gz FJHOXSLKADBNLR-GHTZIAJQSA-N 2 1 381.520 3.752 20 0 GHADMP CCCN1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)CC1 ZINC000539299420 871625718 /nfs/dbraw/zinc/62/57/18/871625718.db2.gz YZPOPYJNCOWCEM-SFTDATJTSA-N 2 1 387.612 3.660 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC001169557628 871635509 /nfs/dbraw/zinc/63/55/09/871635509.db2.gz YTUFRLAIGQTADO-QFBILLFUSA-N 2 1 388.474 3.854 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000253190992 871745848 /nfs/dbraw/zinc/74/58/48/871745848.db2.gz UBRVIJICKFDPRR-PKTZIBPZSA-N 2 1 391.559 3.850 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000533946726 871761719 /nfs/dbraw/zinc/76/17/19/871761719.db2.gz LXYFQSFNHBUURZ-DHIUTWEWSA-N 2 1 398.595 3.729 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001169721436 871810165 /nfs/dbraw/zinc/81/01/65/871810165.db2.gz PUTMBMWHHRDKQW-VWNXMTODSA-N 2 1 391.559 3.793 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462191679 871823689 /nfs/dbraw/zinc/82/36/89/871823689.db2.gz WCIBSWRKMOCXFO-GBXCKJPGSA-N 2 1 391.559 3.535 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821200 871849915 /nfs/dbraw/zinc/84/99/15/871849915.db2.gz GZEUQVYMVSFAOE-TZIWHRDSSA-N 2 1 386.584 3.800 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000552048393 871934863 /nfs/dbraw/zinc/93/48/63/871934863.db2.gz QZLUFRDDIFTEJC-XPPIMPSXSA-N 2 1 382.548 3.768 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)cc1 ZINC000133913855 882570813 /nfs/dbraw/zinc/57/08/13/882570813.db2.gz BMSGIEMBXOSUJF-INIZCTEOSA-N 2 1 380.467 3.709 20 0 GHADMP Cc1cccc(C)c1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000540769894 872119776 /nfs/dbraw/zinc/11/97/76/872119776.db2.gz JMTKONOSJCRVLO-UHFFFAOYSA-N 2 1 385.596 3.501 20 0 GHADMP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000477929316 872158229 /nfs/dbraw/zinc/15/82/29/872158229.db2.gz QZNQLXZNXHHIFV-GNLZIIPMSA-N 2 1 382.523 3.619 20 0 GHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037410 872350953 /nfs/dbraw/zinc/35/09/53/872350953.db2.gz QBNPXLCYNPSRJB-NFBKMPQASA-N 2 1 382.548 3.757 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037410 872350975 /nfs/dbraw/zinc/35/09/75/872350975.db2.gz QBNPXLCYNPSRJB-NFBKMPQASA-N 2 1 382.548 3.757 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037410 872350999 /nfs/dbraw/zinc/35/09/99/872350999.db2.gz QBNPXLCYNPSRJB-NFBKMPQASA-N 2 1 382.548 3.757 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037410 872351022 /nfs/dbraw/zinc/35/10/22/872351022.db2.gz QBNPXLCYNPSRJB-NFBKMPQASA-N 2 1 382.548 3.757 20 0 GHADMP CC[N@H+](Cc1ccccc1N1CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818820 872440616 /nfs/dbraw/zinc/44/06/16/872440616.db2.gz ITIKGWKPWVDJLW-QHCPKHFHSA-N 2 1 393.575 3.867 20 0 GHADMP CC[NH+](Cc1ccccc1N1CCOCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818820 872440623 /nfs/dbraw/zinc/44/06/23/872440623.db2.gz ITIKGWKPWVDJLW-QHCPKHFHSA-N 2 1 393.575 3.867 20 0 GHADMP CC[NH+](Cc1ccccc1N1CCOCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818820 872440629 /nfs/dbraw/zinc/44/06/29/872440629.db2.gz ITIKGWKPWVDJLW-QHCPKHFHSA-N 2 1 393.575 3.867 20 0 GHADMP COc1ccc(OCc2ccccn2)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000552343856 872502799 /nfs/dbraw/zinc/50/27/99/872502799.db2.gz PUFBWAUNPRKFNS-FQEVSTJZSA-N 2 1 395.547 3.833 20 0 GHADMP CCc1csc(CC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)n1 ZINC001195631361 872521522 /nfs/dbraw/zinc/52/15/22/872521522.db2.gz VVLGFJDTSPCTNN-UHFFFAOYSA-N 2 1 399.604 3.992 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670180242 882629173 /nfs/dbraw/zinc/62/91/73/882629173.db2.gz ZHZLXTHRCPLYRI-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001195758679 872616184 /nfs/dbraw/zinc/61/61/84/872616184.db2.gz VABXMOYRDQYVSW-JOCHJYFZSA-N 2 1 391.987 3.726 20 0 GHADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000540982872 872668259 /nfs/dbraw/zinc/66/82/59/872668259.db2.gz MJTHGSCIORUQPD-RBBKRZOGSA-N 2 1 389.971 3.999 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000775688003 872905715 /nfs/dbraw/zinc/90/57/15/872905715.db2.gz FUXNTXRFSNFVQG-QIJUGHKUSA-N 2 1 379.504 3.512 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(Br)c(F)c2F)c1 ZINC000527640345 873391423 /nfs/dbraw/zinc/39/14/23/873391423.db2.gz JIMMRZHRCDXOIZ-UHFFFAOYSA-N 2 1 399.279 3.958 20 0 GHADMP CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000237003049 882718395 /nfs/dbraw/zinc/71/83/95/882718395.db2.gz PMNYIAYHIXHSLF-YOEHRIQHSA-N 2 1 382.346 3.630 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000448466272 873424601 /nfs/dbraw/zinc/42/46/01/873424601.db2.gz LYZPIEKBVBWZRU-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527672610 873434704 /nfs/dbraw/zinc/43/47/04/873434704.db2.gz BFUBVSQIDZOETP-OALUTQOASA-N 2 1 386.458 3.572 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1F ZINC000527695077 873465128 /nfs/dbraw/zinc/46/51/28/873465128.db2.gz DGAUSGAVLCNQJP-LJQANCHMSA-N 2 1 399.514 3.526 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1F ZINC000527695077 873465133 /nfs/dbraw/zinc/46/51/33/873465133.db2.gz DGAUSGAVLCNQJP-LJQANCHMSA-N 2 1 399.514 3.526 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000541425143 873536554 /nfs/dbraw/zinc/53/65/54/873536554.db2.gz MCEFEJFVPCPBOR-UXHICEINSA-N 2 1 384.568 3.580 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527762355 873536808 /nfs/dbraw/zinc/53/68/08/873536808.db2.gz ZKCQMFQLGVIAQJ-XXBNENTESA-N 2 1 398.595 3.918 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527844351 873667911 /nfs/dbraw/zinc/66/79/11/873667911.db2.gz AWBLSNVDCNHIJN-IBGZPJMESA-N 2 1 390.531 3.770 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527854622 873672450 /nfs/dbraw/zinc/67/24/50/873672450.db2.gz VHIRVXYUVOJPCQ-SFHVURJKSA-N 2 1 378.520 3.878 20 0 GHADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000550882096 882763640 /nfs/dbraw/zinc/76/36/40/882763640.db2.gz IMEFQUYUSXIYKN-PKTZIBPZSA-N 2 1 386.580 3.710 20 0 GHADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000528002229 873872817 /nfs/dbraw/zinc/87/28/17/873872817.db2.gz LWTDEJMOUNMHFW-XPJNUEMQSA-N 2 1 377.532 3.846 20 0 GHADMP C[C@]1([C@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892507 874094406 /nfs/dbraw/zinc/09/44/06/874094406.db2.gz YFOPOWDLNRMXIV-LADGPHEKSA-N 2 1 399.579 3.542 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000528182268 874167689 /nfs/dbraw/zinc/16/76/89/874167689.db2.gz HSHWWLMGCCEBKN-NRFANRHFSA-N 2 1 389.971 3.781 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000528182268 874167698 /nfs/dbraw/zinc/16/76/98/874167698.db2.gz HSHWWLMGCCEBKN-NRFANRHFSA-N 2 1 389.971 3.781 20 0 GHADMP CCC(CC)(CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000448984633 874316100 /nfs/dbraw/zinc/31/61/00/874316100.db2.gz TUNFBKFTPNZPNG-SFHVURJKSA-N 2 1 391.519 3.907 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307099 874343628 /nfs/dbraw/zinc/34/36/28/874343628.db2.gz YXWFATPZPNKNCP-ICSRJNTNSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307099 874343645 /nfs/dbraw/zinc/34/36/45/874343645.db2.gz YXWFATPZPNKNCP-ICSRJNTNSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307099 874343651 /nfs/dbraw/zinc/34/36/51/874343651.db2.gz YXWFATPZPNKNCP-ICSRJNTNSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307099 874343665 /nfs/dbraw/zinc/34/36/65/874343665.db2.gz YXWFATPZPNKNCP-ICSRJNTNSA-N 2 1 377.960 3.541 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+]C3(c4ccc(Cl)cc4)CCCCC3)cn2)CC1 ZINC000134268150 882822750 /nfs/dbraw/zinc/82/27/50/882822750.db2.gz GSGVOGLPSYQZMA-UHFFFAOYSA-N 2 1 399.970 3.831 20 0 GHADMP COc1cc(C)ccc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000449116304 874498233 /nfs/dbraw/zinc/49/82/33/874498233.db2.gz KVRBMGYWNWUABY-UHFFFAOYSA-N 2 1 398.547 3.783 20 0 GHADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001198623905 874553678 /nfs/dbraw/zinc/55/36/78/874553678.db2.gz UOEVVNNYUDDSKI-GOSISDBHSA-N 2 1 376.545 3.549 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000134335649 882853535 /nfs/dbraw/zinc/85/35/35/882853535.db2.gz YXSUGMJAHXAUAH-QGZVFWFLSA-N 2 1 387.749 3.526 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCOC4(CCC4)C3)C3(C2)CCOCC3)cc1 ZINC000449346115 874739686 /nfs/dbraw/zinc/73/96/86/874739686.db2.gz YJUJDFRLTVYXMP-FGZHOGPDSA-N 2 1 384.564 3.607 20 0 GHADMP CC1(C)C[N@@H+](Cc2cc(C(N)=O)cs2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414686 874808718 /nfs/dbraw/zinc/80/87/18/874808718.db2.gz MPJLKLXDNMRXNC-OAQYLSRUSA-N 2 1 397.588 3.970 20 0 GHADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001199353284 874918772 /nfs/dbraw/zinc/91/87/72/874918772.db2.gz LWSMNLGBVAKLMY-HXUWFJFHSA-N 2 1 378.520 3.743 20 0 GHADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449512464 874977396 /nfs/dbraw/zinc/97/73/96/874977396.db2.gz PMRTWXIPOYMQBM-RTWAWAEBSA-N 2 1 376.516 3.544 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCO[C@H](c4cccs4)C3)sc2C1 ZINC000449623052 875141175 /nfs/dbraw/zinc/14/11/75/875141175.db2.gz KYRABKHWFKVNAX-ZBFHGGJFSA-N 2 1 377.579 3.981 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCO[C@H](c4cccs4)C3)sc2C1 ZINC000449623052 875141181 /nfs/dbraw/zinc/14/11/81/875141181.db2.gz KYRABKHWFKVNAX-ZBFHGGJFSA-N 2 1 377.579 3.981 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000120025811 875404475 /nfs/dbraw/zinc/40/44/75/875404475.db2.gz CVKZGAMSFODRCD-LJQANCHMSA-N 2 1 389.588 3.658 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000120025811 875404478 /nfs/dbraw/zinc/40/44/78/875404478.db2.gz CVKZGAMSFODRCD-LJQANCHMSA-N 2 1 389.588 3.658 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000303418678 875578733 /nfs/dbraw/zinc/57/87/33/875578733.db2.gz CCIPHUCCDXQYLC-WMZHIEFXSA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000303418678 875578747 /nfs/dbraw/zinc/57/87/47/875578747.db2.gz CCIPHUCCDXQYLC-WMZHIEFXSA-N 2 1 379.548 3.633 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001201490361 875718234 /nfs/dbraw/zinc/71/82/34/875718234.db2.gz CKBLUCVGZKBFNQ-CTNGQTDRSA-N 2 1 396.579 3.704 20 0 GHADMP Cc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc(C)c1OCc1ccccc1Cl ZINC001201607385 875783179 /nfs/dbraw/zinc/78/31/79/875783179.db2.gz ALNXBUBONZFLEH-QFIPXVFZSA-N 2 1 390.955 3.938 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@H](C)O1 ZINC000491910709 876021673 /nfs/dbraw/zinc/02/16/73/876021673.db2.gz IUNLTIBEFVDCQK-NQDIBGKZSA-N 2 1 384.564 3.733 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529458691 876179965 /nfs/dbraw/zinc/17/99/65/876179965.db2.gz PNSZJQMIJHNNKF-IMCXTFKOSA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529458691 876179974 /nfs/dbraw/zinc/17/99/74/876179974.db2.gz PNSZJQMIJHNNKF-IMCXTFKOSA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529458691 876179986 /nfs/dbraw/zinc/17/99/86/876179986.db2.gz PNSZJQMIJHNNKF-IMCXTFKOSA-N 2 1 383.580 3.522 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000134794909 883046593 /nfs/dbraw/zinc/04/65/93/883046593.db2.gz ZJHGKIWKMKERGB-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000134794909 883046610 /nfs/dbraw/zinc/04/66/10/883046610.db2.gz ZJHGKIWKMKERGB-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000134794909 883046626 /nfs/dbraw/zinc/04/66/26/883046626.db2.gz ZJHGKIWKMKERGB-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000173751209 876608488 /nfs/dbraw/zinc/60/84/88/876608488.db2.gz PSVRZOIEDHNDPW-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000173751209 876608502 /nfs/dbraw/zinc/60/85/02/876608502.db2.gz PSVRZOIEDHNDPW-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000173751209 876608514 /nfs/dbraw/zinc/60/85/14/876608514.db2.gz PSVRZOIEDHNDPW-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850414488 876894816 /nfs/dbraw/zinc/89/48/16/876894816.db2.gz PCWDXUVASZSAPI-KNQAVFIVSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850414488 876894824 /nfs/dbraw/zinc/89/48/24/876894824.db2.gz PCWDXUVASZSAPI-KNQAVFIVSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000850418020 876898794 /nfs/dbraw/zinc/89/87/94/876898794.db2.gz VQRVTHMMJZSVCZ-KRWDZBQOSA-N 2 1 393.547 3.678 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000850580800 877054750 /nfs/dbraw/zinc/05/47/50/877054750.db2.gz REDPMTXEZQBCKF-YCRPNKLZSA-N 2 1 392.465 3.823 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2C(F)(F)F)[C@@H](C)C1 ZINC000787305092 877330982 /nfs/dbraw/zinc/33/09/82/877330982.db2.gz QQCHRVUOWQWCQU-ZFWWWQNUSA-N 2 1 393.881 3.980 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2C(F)(F)F)[C@@H](C)C1 ZINC000787305092 877330987 /nfs/dbraw/zinc/33/09/87/877330987.db2.gz QQCHRVUOWQWCQU-ZFWWWQNUSA-N 2 1 393.881 3.980 20 0 GHADMP CC[N@@H+](CCCC(=O)N1CCC(c2c[nH]cn2)CC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051781 912222551 /nfs/dbraw/zinc/22/25/51/912222551.db2.gz YOKNKQSCJZGZHD-GOSISDBHSA-N 2 1 398.551 3.555 20 0 GHADMP CC[N@H+](CCCC(=O)N1CCC(c2cnc[nH]2)CC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051781 912222572 /nfs/dbraw/zinc/22/25/72/912222572.db2.gz YOKNKQSCJZGZHD-GOSISDBHSA-N 2 1 398.551 3.555 20 0 GHADMP CC[N@@H+](CCCC(=O)N1CCC(c2cnc[nH]2)CC1)[C@H](C)Cc1ccc(O)cc1 ZINC001183051781 912222592 /nfs/dbraw/zinc/22/25/92/912222592.db2.gz YOKNKQSCJZGZHD-GOSISDBHSA-N 2 1 398.551 3.555 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](Oc4ccccc4)C3(C)C)CC2)nc(C)[nH+]1 ZINC000551533304 877394030 /nfs/dbraw/zinc/39/40/30/877394030.db2.gz KLLVSNKOGQLSCE-LEWJYISDSA-N 2 1 380.536 3.898 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000642630851 912229682 /nfs/dbraw/zinc/22/96/82/912229682.db2.gz NUCMRBVBAXLFQU-NHCUHLMSSA-N 2 1 396.531 3.999 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000642630851 912229705 /nfs/dbraw/zinc/22/97/05/912229705.db2.gz NUCMRBVBAXLFQU-NHCUHLMSSA-N 2 1 396.531 3.999 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cn2)cc1 ZINC000666995609 877419522 /nfs/dbraw/zinc/41/95/22/877419522.db2.gz TVMDJENPKJJVJT-SFHVURJKSA-N 2 1 378.442 3.715 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC(C)(C)C(F)(F)F ZINC000373672942 877461151 /nfs/dbraw/zinc/46/11/51/877461151.db2.gz PNYMIQOCGNLKPY-UHFFFAOYSA-N 2 1 391.522 3.620 20 0 GHADMP c1nn([C@H]2CC[N@H+](C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701416 877669466 /nfs/dbraw/zinc/66/94/66/877669466.db2.gz AIQSJHSIZGUSDD-GOTSBHOMSA-N 2 1 390.531 3.574 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000137954445 877673289 /nfs/dbraw/zinc/67/32/89/877673289.db2.gz GURCXIJHMMDCFD-LJQANCHMSA-N 2 1 395.547 3.587 20 0 GHADMP COc1cccc2cc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)oc21 ZINC000067976632 877725509 /nfs/dbraw/zinc/72/55/09/877725509.db2.gz YFFDWYWDMHRUGH-KRWDZBQOSA-N 2 1 380.488 3.952 20 0 GHADMP COc1cccc2cc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)oc21 ZINC000067976632 877725516 /nfs/dbraw/zinc/72/55/16/877725516.db2.gz YFFDWYWDMHRUGH-KRWDZBQOSA-N 2 1 380.488 3.952 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000551778893 877795042 /nfs/dbraw/zinc/79/50/42/877795042.db2.gz JJRNXRUKUCYEPP-MOPGFXCFSA-N 2 1 383.502 3.957 20 0 GHADMP C[C@@H](C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451334572 877820070 /nfs/dbraw/zinc/82/00/70/877820070.db2.gz CDRRZYDPFFFHPU-QMBYIOMDSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H](C[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334572 877820082 /nfs/dbraw/zinc/82/00/82/877820082.db2.gz CDRRZYDPFFFHPU-QMBYIOMDSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H](C[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334572 877820102 /nfs/dbraw/zinc/82/01/02/877820102.db2.gz CDRRZYDPFFFHPU-QMBYIOMDSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1C ZINC000851797372 877914417 /nfs/dbraw/zinc/91/44/17/877914417.db2.gz PVMFSYXNRTZCBT-PXNSSMCTSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1C ZINC000851797372 877914430 /nfs/dbraw/zinc/91/44/30/877914430.db2.gz PVMFSYXNRTZCBT-PXNSSMCTSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[NH+]1C ZINC000851797372 877914449 /nfs/dbraw/zinc/91/44/49/877914449.db2.gz PVMFSYXNRTZCBT-PXNSSMCTSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[NH+]1C ZINC000851797372 877914466 /nfs/dbraw/zinc/91/44/66/877914466.db2.gz PVMFSYXNRTZCBT-PXNSSMCTSA-N 2 1 387.568 3.894 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000245547920 878085461 /nfs/dbraw/zinc/08/54/61/878085461.db2.gz FPUFQCLGNOFCCL-OALUTQOASA-N 2 1 392.975 3.647 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000245547920 878085476 /nfs/dbraw/zinc/08/54/76/878085476.db2.gz FPUFQCLGNOFCCL-OALUTQOASA-N 2 1 392.975 3.647 20 0 GHADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000245547125 878086436 /nfs/dbraw/zinc/08/64/36/878086436.db2.gz XCBPVSNURWXLTQ-ZCNNSNEGSA-N 2 1 386.584 3.798 20 0 GHADMP CC[N@@H+](CCCC(=O)N(C(C)C)C(C)(C)C[NH3+])[C@H](C)Cc1ccc(OC)cc1 ZINC001183153519 912312284 /nfs/dbraw/zinc/31/22/84/912312284.db2.gz JGKWJQMPETVSFY-LJQANCHMSA-N 2 1 391.600 3.703 20 0 GHADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)[NH+](C)C ZINC000788519937 878124975 /nfs/dbraw/zinc/12/49/75/878124975.db2.gz OPPVVTJXULOFMU-TZIWHRDSSA-N 2 1 375.557 3.996 20 0 GHADMP CCC(CC)[C@@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)[NH+](C)C ZINC000788519935 878125104 /nfs/dbraw/zinc/12/51/04/878125104.db2.gz OPPVVTJXULOFMU-PZJWPPBQSA-N 2 1 375.557 3.996 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cccc(C[NH+](C)C)c3)C2)s1 ZINC000552003312 878141980 /nfs/dbraw/zinc/14/19/80/878141980.db2.gz YCQZIYFOCAFWKY-LJQANCHMSA-N 2 1 385.577 3.712 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000176487551 878281198 /nfs/dbraw/zinc/28/11/98/878281198.db2.gz UOOVIVIQQPPRSP-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(N4CCCC4)nc2)C3)cc1 ZINC000245660173 878313623 /nfs/dbraw/zinc/31/36/23/878313623.db2.gz FLDBNMZKRAZSGI-NUNAXRQHSA-N 2 1 376.548 3.967 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(N4CCCC4)nc2)C3)cc1 ZINC000245660173 878313636 /nfs/dbraw/zinc/31/36/36/878313636.db2.gz FLDBNMZKRAZSGI-NUNAXRQHSA-N 2 1 376.548 3.967 20 0 GHADMP Cc1ccc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000530711972 878327412 /nfs/dbraw/zinc/32/74/12/878327412.db2.gz YUDHVOIBXRVJSW-UHFFFAOYSA-N 2 1 385.596 3.501 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000788802061 878329093 /nfs/dbraw/zinc/32/90/93/878329093.db2.gz NTAUXKWMJLDMRX-IBGZPJMESA-N 2 1 377.573 3.773 20 0 GHADMP Cc1ccc(-c2noc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n2)cc1 ZINC000530701177 878343531 /nfs/dbraw/zinc/34/35/31/878343531.db2.gz HMARXJAGTJRPFU-RTBURBONSA-N 2 1 398.551 3.756 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000616074183 878474678 /nfs/dbraw/zinc/47/46/78/878474678.db2.gz QDTGKVIZDXHTSA-JOCHJYFZSA-N 2 1 394.648 3.896 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000616077674 878480879 /nfs/dbraw/zinc/48/08/79/878480879.db2.gz OGBAHVRMAAQMIQ-BGYRXZFFSA-N 2 1 380.621 3.508 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000616077674 878480883 /nfs/dbraw/zinc/48/08/83/878480883.db2.gz OGBAHVRMAAQMIQ-BGYRXZFFSA-N 2 1 380.621 3.508 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000616077674 878480894 /nfs/dbraw/zinc/48/08/94/878480894.db2.gz OGBAHVRMAAQMIQ-BGYRXZFFSA-N 2 1 380.621 3.508 20 0 GHADMP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245728452 878490378 /nfs/dbraw/zinc/49/03/78/878490378.db2.gz PWJSMYTZQMRGEQ-ODAXIHTASA-N 2 1 389.543 3.857 20 0 GHADMP CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808395 878497318 /nfs/dbraw/zinc/49/73/18/878497318.db2.gz JSLUDWWPCHSRML-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808395 878497330 /nfs/dbraw/zinc/49/73/30/878497330.db2.gz JSLUDWWPCHSRML-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808395 878497342 /nfs/dbraw/zinc/49/73/42/878497342.db2.gz JSLUDWWPCHSRML-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP [NH3+]CCCCCCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000237987014 878505246 /nfs/dbraw/zinc/50/52/46/878505246.db2.gz BCAYCYFXHBKQGE-HXUWFJFHSA-N 2 1 385.577 3.873 20 0 GHADMP [NH3+]CCCCCCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000237987014 878505252 /nfs/dbraw/zinc/50/52/52/878505252.db2.gz BCAYCYFXHBKQGE-HXUWFJFHSA-N 2 1 385.577 3.873 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000537960608 878593228 /nfs/dbraw/zinc/59/32/28/878593228.db2.gz BMSPQOPDVXLPSY-DENIHFKCSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000537960608 878593243 /nfs/dbraw/zinc/59/32/43/878593243.db2.gz BMSPQOPDVXLPSY-DENIHFKCSA-N 2 1 380.532 3.891 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772729712 878607020 /nfs/dbraw/zinc/60/70/20/878607020.db2.gz OBFMZVVPBADDOC-OAQYLSRUSA-N 2 1 395.551 3.535 20 0 GHADMP CC[N@@H+](CCC1CCN(CC(=O)Nc2ccc(OC)cc2)CC1)CC(C)C ZINC000537996895 878683032 /nfs/dbraw/zinc/68/30/32/878683032.db2.gz AISATVKPTZWYRA-UHFFFAOYSA-N 2 1 375.557 3.714 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1)CC(C)C ZINC000537996895 878683036 /nfs/dbraw/zinc/68/30/36/878683036.db2.gz AISATVKPTZWYRA-UHFFFAOYSA-N 2 1 375.557 3.714 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1)CC(C)C ZINC000537996895 878683040 /nfs/dbraw/zinc/68/30/40/878683040.db2.gz AISATVKPTZWYRA-UHFFFAOYSA-N 2 1 375.557 3.714 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000177400274 878694822 /nfs/dbraw/zinc/69/48/22/878694822.db2.gz KCOHGMRHONNQFH-IBGZPJMESA-N 2 1 378.605 3.595 20 0 GHADMP Cc1cc([C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CC2)ccc1F ZINC000538062026 878786596 /nfs/dbraw/zinc/78/65/96/878786596.db2.gz KKCOVJCSUACIGV-HSZRJFAPSA-N 2 1 395.522 3.763 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853093805 878809584 /nfs/dbraw/zinc/80/95/84/878809584.db2.gz RQVMSKYYWBPEKM-HXUWFJFHSA-N 2 1 379.589 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C[C@@H]2C1 ZINC000853093032 878810288 /nfs/dbraw/zinc/81/02/88/878810288.db2.gz ZTKYNRAESPPYMB-BURNTYAHSA-N 2 1 391.600 3.734 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000177703423 878821762 /nfs/dbraw/zinc/82/17/62/878821762.db2.gz YYKWBRZBZAXDNM-RBUKOAKNSA-N 2 1 389.609 3.731 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177703423 878821770 /nfs/dbraw/zinc/82/17/70/878821770.db2.gz YYKWBRZBZAXDNM-RBUKOAKNSA-N 2 1 389.609 3.731 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177703423 878821782 /nfs/dbraw/zinc/82/17/82/878821782.db2.gz YYKWBRZBZAXDNM-RBUKOAKNSA-N 2 1 389.609 3.731 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1F ZINC000853120018 878827233 /nfs/dbraw/zinc/82/72/33/878827233.db2.gz DSRSQSRQZAFLLS-PGRDOPGGSA-N 2 1 386.486 3.890 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000530952813 878831997 /nfs/dbraw/zinc/83/19/97/878831997.db2.gz SDMYOBJQYPPFMI-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000530952813 878832007 /nfs/dbraw/zinc/83/20/07/878832007.db2.gz SDMYOBJQYPPFMI-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000530952813 878832016 /nfs/dbraw/zinc/83/20/16/878832016.db2.gz SDMYOBJQYPPFMI-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC000530978491 878866692 /nfs/dbraw/zinc/86/66/92/878866692.db2.gz BIOIAYHTMXBWHC-OAQYLSRUSA-N 2 1 390.531 3.618 20 0 GHADMP CCn1cc([C@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000538195235 879016136 /nfs/dbraw/zinc/01/61/36/879016136.db2.gz QIAXREJARJQJFW-ZCNNSNEGSA-N 2 1 384.568 3.763 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C\C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000789866889 879325972 /nfs/dbraw/zinc/32/59/72/879325972.db2.gz SSNYWZSTZXDSLN-PLNGDYQASA-N 2 1 391.531 3.503 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000246316478 879378446 /nfs/dbraw/zinc/37/84/46/879378446.db2.gz AETYVICAOVOAEV-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000246316478 879378467 /nfs/dbraw/zinc/37/84/67/879378467.db2.gz AETYVICAOVOAEV-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000246316478 879378485 /nfs/dbraw/zinc/37/84/85/879378485.db2.gz AETYVICAOVOAEV-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP COc1cc(OC)cc(OCCC[N@@H+](C)Cc2cc(-n3ccnc3)cs2)c1 ZINC000542466523 879443404 /nfs/dbraw/zinc/44/34/04/879443404.db2.gz LEFRKEOAZCZLPM-UHFFFAOYSA-N 2 1 387.505 3.852 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649345310 879467416 /nfs/dbraw/zinc/46/74/16/879467416.db2.gz VBGZWMCTUXOURD-RXVVDRJESA-N 2 1 385.939 3.710 20 0 GHADMP O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000617252775 879533709 /nfs/dbraw/zinc/53/37/09/879533709.db2.gz VAMQNVBQTHBAKF-UHFFFAOYSA-N 2 1 380.536 3.660 20 0 GHADMP C[C@H]([N@@H+](Cc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C(C)(C)C ZINC000790386002 879657855 /nfs/dbraw/zinc/65/78/55/879657855.db2.gz OWPNIUUSYKPRBS-MBSDFSHPSA-N 2 1 385.552 3.797 20 0 GHADMP C[C@H]([N@H+](Cc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C(C)(C)C ZINC000790386002 879657865 /nfs/dbraw/zinc/65/78/65/879657865.db2.gz OWPNIUUSYKPRBS-MBSDFSHPSA-N 2 1 385.552 3.797 20 0 GHADMP Cc1cccc([C@@H]2CCCC[N@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)c1C ZINC000790366002 879669717 /nfs/dbraw/zinc/66/97/17/879669717.db2.gz JTHFIDCQAZXMNL-GMAHTHKFSA-N 2 1 383.536 3.705 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4ccccc4OC3)CC2)cs1 ZINC000493968107 879785626 /nfs/dbraw/zinc/78/56/26/879785626.db2.gz JGLKDXZZQDRMKW-LJQANCHMSA-N 2 1 385.577 3.901 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430006 879799717 /nfs/dbraw/zinc/79/97/17/879799717.db2.gz KLMXBNTZYVNNNO-YTFSRNRJSA-N 2 1 395.591 3.622 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430006 879799734 /nfs/dbraw/zinc/79/97/34/879799734.db2.gz KLMXBNTZYVNNNO-YTFSRNRJSA-N 2 1 395.591 3.622 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430006 879799757 /nfs/dbraw/zinc/79/97/57/879799757.db2.gz KLMXBNTZYVNNNO-YTFSRNRJSA-N 2 1 395.591 3.622 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000246854654 879828181 /nfs/dbraw/zinc/82/81/81/879828181.db2.gz DQKGZXVHOVIODH-AUSIDOKSSA-N 2 1 379.548 3.838 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000246996656 879876476 /nfs/dbraw/zinc/87/64/76/879876476.db2.gz KLYFWNZQUAQURN-DVECYGJZSA-N 2 1 394.563 3.674 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(OC)c1 ZINC000247205336 879941152 /nfs/dbraw/zinc/94/11/52/879941152.db2.gz WPVKMNLAYVQKRV-QZTJIDSGSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(OC)c1 ZINC000247205336 879941168 /nfs/dbraw/zinc/94/11/68/879941168.db2.gz WPVKMNLAYVQKRV-QZTJIDSGSA-N 2 1 384.520 3.775 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000531497073 879971030 /nfs/dbraw/zinc/97/10/30/879971030.db2.gz NXLGIOHIQFZYLC-KRWDZBQOSA-N 2 1 395.551 3.948 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000247348716 879977958 /nfs/dbraw/zinc/97/79/58/879977958.db2.gz JUEKTTPPOOEILA-MOJGAOKDSA-N 2 1 379.548 3.635 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000247415344 879993671 /nfs/dbraw/zinc/99/36/71/879993671.db2.gz ZWGNYYBEHQMVAX-WOJBJXKFSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247415344 879993680 /nfs/dbraw/zinc/99/36/80/879993680.db2.gz ZWGNYYBEHQMVAX-WOJBJXKFSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000247415344 879993692 /nfs/dbraw/zinc/99/36/92/879993692.db2.gz ZWGNYYBEHQMVAX-WOJBJXKFSA-N 2 1 386.584 3.544 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000854676307 879997981 /nfs/dbraw/zinc/99/79/81/879997981.db2.gz KJLRCXIOEPHVRD-IBGZPJMESA-N 2 1 375.601 3.754 20 0 GHADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000247921392 880086965 /nfs/dbraw/zinc/08/69/65/880086965.db2.gz BGHSVQBIXKXFQL-QFBILLFUSA-N 2 1 385.577 3.859 20 0 GHADMP Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000184658743 880356899 /nfs/dbraw/zinc/35/68/99/880356899.db2.gz BOWKBTQCKCMMES-QFIPXVFZSA-N 2 1 394.563 3.962 20 0 GHADMP C[C@@H](CCCc1cccnc1)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000453080397 880433122 /nfs/dbraw/zinc/43/31/22/880433122.db2.gz LRACBTDMPFCFDD-XUZZJYLKSA-N 2 1 380.580 3.761 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000855345850 880470606 /nfs/dbraw/zinc/47/06/06/880470606.db2.gz IZDFPCAYFRTMLQ-HNNXBMFYSA-N 2 1 377.529 3.556 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1-c1ccc(F)cc1 ZINC000855345850 880470611 /nfs/dbraw/zinc/47/06/11/880470611.db2.gz IZDFPCAYFRTMLQ-HNNXBMFYSA-N 2 1 377.529 3.556 20 0 GHADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)cc21 ZINC000453198752 880606993 /nfs/dbraw/zinc/60/69/93/880606993.db2.gz WCOULIUBRXYZPV-QPTUXGOLSA-N 2 1 389.543 3.505 20 0 GHADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)cc21 ZINC000453198752 880607003 /nfs/dbraw/zinc/60/70/03/880607003.db2.gz WCOULIUBRXYZPV-QPTUXGOLSA-N 2 1 389.543 3.505 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)c2cccs2)CC1 ZINC000531856681 880616501 /nfs/dbraw/zinc/61/65/01/880616501.db2.gz XRRULWADQMFMLV-IBGZPJMESA-N 2 1 384.524 3.514 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C34CCC[NH+]3CCC4)cccc2[C@@H](c2ccccc2)C1 ZINC001183557805 912625372 /nfs/dbraw/zinc/62/53/72/912625372.db2.gz WDKYOIXRBVNJEW-HXUWFJFHSA-N 2 1 375.516 3.831 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Cl)c(F)c1 ZINC001170182919 881194235 /nfs/dbraw/zinc/19/42/35/881194235.db2.gz BBLDFIKASUFHDQ-UHFFFAOYSA-N 2 1 375.919 3.729 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CCO1 ZINC001170214473 881218487 /nfs/dbraw/zinc/21/84/87/881218487.db2.gz PIOZGHFJKKBAAZ-IPMKNSEASA-N 2 1 378.582 3.761 20 0 GHADMP CC[C@H](C)[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000532139587 881278604 /nfs/dbraw/zinc/27/86/04/881278604.db2.gz IKKVIWDYVOFSFJ-JXFKEZNVSA-N 2 1 387.959 3.759 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000858496706 883151532 /nfs/dbraw/zinc/15/15/32/883151532.db2.gz BBPCNPDIOYWTKK-LJQANCHMSA-N 2 1 379.548 3.855 20 0 GHADMP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476971147 883504488 /nfs/dbraw/zinc/50/44/88/883504488.db2.gz JLNMKEBKDXSHNZ-LEWJYISDSA-N 2 1 385.596 3.710 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000476988704 883523149 /nfs/dbraw/zinc/52/31/49/883523149.db2.gz TWZCYEUUQCYBKI-TZIWHRDSSA-N 2 1 399.579 3.884 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1=CCC(C)(C)CC1 ZINC000455889333 883524424 /nfs/dbraw/zinc/52/44/24/883524424.db2.gz FCZJWPFVMOZZTG-UHFFFAOYSA-N 2 1 375.601 3.778 20 0 GHADMP C[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000859192483 883648993 /nfs/dbraw/zinc/64/89/93/883648993.db2.gz SWXVMDDCHBNAFB-UHFFFAOYSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000859192483 883649000 /nfs/dbraw/zinc/64/90/00/883649000.db2.gz SWXVMDDCHBNAFB-UHFFFAOYSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H](OC[C@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000859214082 883667664 /nfs/dbraw/zinc/66/76/64/883667664.db2.gz LRYDRLDLCJNJBX-HTAPYJJXSA-N 2 1 390.955 3.972 20 0 GHADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000477111801 883733639 /nfs/dbraw/zinc/73/36/39/883733639.db2.gz YVLDOGNTMUHWHD-AEFFLSMTSA-N 2 1 397.567 3.528 20 0 GHADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000477111801 883733648 /nfs/dbraw/zinc/73/36/48/883733648.db2.gz YVLDOGNTMUHWHD-AEFFLSMTSA-N 2 1 397.567 3.528 20 0 GHADMP Fc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(Cl)c1 ZINC001211911562 883812262 /nfs/dbraw/zinc/81/22/62/883812262.db2.gz RMGXQAJTELYMFD-QGZVFWFLSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(Cl)c1 ZINC001211911562 883812279 /nfs/dbraw/zinc/81/22/79/883812279.db2.gz RMGXQAJTELYMFD-QGZVFWFLSA-N 2 1 398.869 3.718 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001183728700 912760324 /nfs/dbraw/zinc/76/03/24/912760324.db2.gz TWYDBIOLJZGQDF-RLLQIKCJSA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001183728700 912760333 /nfs/dbraw/zinc/76/03/33/912760333.db2.gz TWYDBIOLJZGQDF-RLLQIKCJSA-N 2 1 381.486 3.971 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000194643381 883879473 /nfs/dbraw/zinc/87/94/73/883879473.db2.gz CLLJWVSGLMYWSO-QHCPKHFHSA-N 2 1 391.559 3.565 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@@H](C)C1 ZINC000249451694 912839219 /nfs/dbraw/zinc/83/92/19/912839219.db2.gz OOKCLKMBYXCODO-UWJYYQICSA-N 2 1 386.536 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@@H](C)C1 ZINC000249451694 912839236 /nfs/dbraw/zinc/83/92/36/912839236.db2.gz OOKCLKMBYXCODO-UWJYYQICSA-N 2 1 386.536 3.636 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455870762 884641870 /nfs/dbraw/zinc/64/18/70/884641870.db2.gz XJTZVZMHVIGUCJ-VGOFRKELSA-N 2 1 380.536 3.878 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460388182 885237786 /nfs/dbraw/zinc/23/77/86/885237786.db2.gz QRRHZCKMJSRXRW-PXNSSMCTSA-N 2 1 379.504 3.845 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000460388182 885237795 /nfs/dbraw/zinc/23/77/95/885237795.db2.gz QRRHZCKMJSRXRW-PXNSSMCTSA-N 2 1 379.504 3.845 20 0 GHADMP Clc1ccc([C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)OCC2CC2)cc1 ZINC000655766556 885380130 /nfs/dbraw/zinc/38/01/30/885380130.db2.gz IMCXWMAHWRCNFL-NHCUHLMSSA-N 2 1 378.944 3.651 20 0 GHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303018999 885428102 /nfs/dbraw/zinc/42/81/02/885428102.db2.gz OIAUMVFRDBENAC-ZEQRLZLVSA-N 2 1 391.559 3.852 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442176 885453684 /nfs/dbraw/zinc/45/36/84/885453684.db2.gz ATFQZAJRISHQTD-WOJBJXKFSA-N 2 1 385.577 3.849 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000550622828 885552670 /nfs/dbraw/zinc/55/26/70/885552670.db2.gz YGZYSGFPBLBNJQ-REWPJTCUSA-N 2 1 395.522 3.855 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C[C@H]1c1ccccc1 ZINC000550622828 885552680 /nfs/dbraw/zinc/55/26/80/885552680.db2.gz YGZYSGFPBLBNJQ-REWPJTCUSA-N 2 1 395.522 3.855 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1c1ccccc1 ZINC000550622313 885564822 /nfs/dbraw/zinc/56/48/22/885564822.db2.gz SPLUKVWLROPGRJ-RTBURBONSA-N 2 1 392.469 3.749 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1c1ccccc1 ZINC000550622313 885564828 /nfs/dbraw/zinc/56/48/28/885564828.db2.gz SPLUKVWLROPGRJ-RTBURBONSA-N 2 1 392.469 3.749 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C[C@@H]1c1ccccc1 ZINC000550678915 885848243 /nfs/dbraw/zinc/84/82/43/885848243.db2.gz YQCOZJOUKJINRY-DHIUTWEWSA-N 2 1 385.596 3.694 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C[C@@H]1c1ccccc1 ZINC000550678915 885848252 /nfs/dbraw/zinc/84/82/52/885848252.db2.gz YQCOZJOUKJINRY-DHIUTWEWSA-N 2 1 385.596 3.694 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000532537382 885934186 /nfs/dbraw/zinc/93/41/86/885934186.db2.gz FANFFBOEOFQWHI-SZYSYYJISA-N 2 1 375.601 3.512 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532537488 885934769 /nfs/dbraw/zinc/93/47/69/885934769.db2.gz RYZARDDPTHBGQF-HNNXBMFYSA-N 2 1 381.948 3.728 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532537488 885934776 /nfs/dbraw/zinc/93/47/76/885934776.db2.gz RYZARDDPTHBGQF-HNNXBMFYSA-N 2 1 381.948 3.728 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCCc1cccs1 ZINC000495504385 885989869 /nfs/dbraw/zinc/98/98/69/885989869.db2.gz UMSWHZHRALENFS-RTBURBONSA-N 2 1 399.604 3.817 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498912859 886104235 /nfs/dbraw/zinc/10/42/35/886104235.db2.gz VVIPFTGNUWOUEK-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)CCn1cc[nH+]c1C(C)C)[NH+]1CCCCC1 ZINC000118776883 886262170 /nfs/dbraw/zinc/26/21/70/886262170.db2.gz SRCUYGKWYJJVAW-FQEVSTJZSA-N 2 1 398.551 3.749 20 0 GHADMP c1cc(-c2cccnc2)n(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000762500643 886294416 /nfs/dbraw/zinc/29/44/16/886294416.db2.gz RPUWTFLXCZQKMU-UHFFFAOYSA-N 2 1 387.531 3.891 20 0 GHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808680318 886636813 /nfs/dbraw/zinc/63/68/13/886636813.db2.gz KFKDMDLHBIQHSN-MHTWAQMVSA-N 2 1 387.568 3.996 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808680318 886636821 /nfs/dbraw/zinc/63/68/21/886636821.db2.gz KFKDMDLHBIQHSN-MHTWAQMVSA-N 2 1 387.568 3.996 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000556925970 886769791 /nfs/dbraw/zinc/76/97/91/886769791.db2.gz PWROEFJLWHKWPB-HXUWFJFHSA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000556925970 886769798 /nfs/dbraw/zinc/76/97/98/886769798.db2.gz PWROEFJLWHKWPB-HXUWFJFHSA-N 2 1 389.565 3.751 20 0 GHADMP O[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1)C[NH+]1CCCC1 ZINC000237963557 887009278 /nfs/dbraw/zinc/00/92/78/887009278.db2.gz YNEDBKGAVWGBKV-MRXNPFEDSA-N 2 1 395.366 3.724 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](c3nc([C@@H]4CCC[NH2+]C4)no3)[C@H](C3CCCC3)C2)cc1 ZINC000863654796 887264379 /nfs/dbraw/zinc/26/43/79/887264379.db2.gz OIHMUNPYVVXLGA-QHAWAJNXSA-N 2 1 380.536 3.942 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000801543399 921114855 /nfs/dbraw/zinc/11/48/55/921114855.db2.gz BGZYGHXFCCMDEE-QGZVFWFLSA-N 2 1 386.458 3.743 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000801543399 921114859 /nfs/dbraw/zinc/11/48/59/921114859.db2.gz BGZYGHXFCCMDEE-QGZVFWFLSA-N 2 1 386.458 3.743 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132814355 887703469 /nfs/dbraw/zinc/70/34/69/887703469.db2.gz BLNHLEKTRDJTSH-ORAYPTAESA-N 2 1 397.332 3.666 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000105163236 887757952 /nfs/dbraw/zinc/75/79/52/887757952.db2.gz PEOUUBBGPRMWAE-QFIPXVFZSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000809738315 887771502 /nfs/dbraw/zinc/77/15/02/887771502.db2.gz UKGFWPRTMCKGJB-QFIPXVFZSA-N 2 1 375.557 3.827 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000809954759 888021702 /nfs/dbraw/zinc/02/17/02/888021702.db2.gz FMPHBUQLDQDMSM-WTGUMLROSA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000809954759 888021713 /nfs/dbraw/zinc/02/17/13/888021713.db2.gz FMPHBUQLDQDMSM-WTGUMLROSA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000809954759 888021725 /nfs/dbraw/zinc/02/17/25/888021725.db2.gz FMPHBUQLDQDMSM-WTGUMLROSA-N 2 1 379.589 3.734 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2nc(CN3CCCCCC3)cs2)C1 ZINC000810018917 888085498 /nfs/dbraw/zinc/08/54/98/888085498.db2.gz TVIWBDYVFNGYSY-IBGZPJMESA-N 2 1 382.549 3.670 20 0 GHADMP CC(C)(C)N1CC[C@@](F)(C(=O)Nc2nc(CN3CCCCCC3)cs2)C1 ZINC000810018917 888085511 /nfs/dbraw/zinc/08/55/11/888085511.db2.gz TVIWBDYVFNGYSY-IBGZPJMESA-N 2 1 382.549 3.670 20 0 GHADMP COc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c(OC)n1 ZINC000810261679 888325954 /nfs/dbraw/zinc/32/59/54/888325954.db2.gz XULBIICRCHSKRY-KRWDZBQOSA-N 2 1 399.535 3.944 20 0 GHADMP CCCCCC[C@@H](CC)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001170601253 888348729 /nfs/dbraw/zinc/34/87/29/888348729.db2.gz YCWHQVKLIPFGHQ-CTNGQTDRSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCCC[C@@H](CC)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001170601253 888348741 /nfs/dbraw/zinc/34/87/41/888348741.db2.gz YCWHQVKLIPFGHQ-CTNGQTDRSA-N 2 1 391.604 3.576 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C[NH+]4CCC(C)CC4)C3)CC2)[nH+]c1 ZINC000194762845 888618142 /nfs/dbraw/zinc/61/81/42/888618142.db2.gz XNQBUVXMIPFEST-OAQYLSRUSA-N 2 1 398.595 3.577 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810568242 888628993 /nfs/dbraw/zinc/62/89/93/888628993.db2.gz XFSNXUFXBZMRHM-XMSQKQJNSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810568242 888629005 /nfs/dbraw/zinc/62/90/05/888629005.db2.gz XFSNXUFXBZMRHM-XMSQKQJNSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810568242 888629013 /nfs/dbraw/zinc/62/90/13/888629013.db2.gz XFSNXUFXBZMRHM-XMSQKQJNSA-N 2 1 381.580 3.702 20 0 GHADMP Cc1c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)sc2nc(C)nc(C)c12 ZINC000747622245 888741854 /nfs/dbraw/zinc/74/18/54/888741854.db2.gz PVCUSAIWZHGJDL-UHFFFAOYSA-N 2 1 376.570 3.596 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866548135 888928580 /nfs/dbraw/zinc/92/85/80/888928580.db2.gz KNPFSHSTEPNQIX-AYWYSENESA-N 2 1 387.568 3.790 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000454414168 888999565 /nfs/dbraw/zinc/99/95/65/888999565.db2.gz ODQLZACWVLJVRV-LJQANCHMSA-N 2 1 392.613 3.525 20 0 GHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168511134 889235626 /nfs/dbraw/zinc/23/56/26/889235626.db2.gz ANKRANZWMFWNMT-NEXFUWMNSA-N 2 1 379.467 3.519 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000465530362 889253224 /nfs/dbraw/zinc/25/32/24/889253224.db2.gz ZGKFYCZOSCZOKZ-HKUYNNGSSA-N 2 1 380.602 3.504 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@H]1c1cccs1 ZINC000868185121 889341641 /nfs/dbraw/zinc/34/16/41/889341641.db2.gz MTWIMUXEWMFYKE-BOLBYERCSA-N 2 1 384.549 3.767 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cn1 ZINC000811476020 889662550 /nfs/dbraw/zinc/66/25/50/889662550.db2.gz VQZRSVKZGBFFSF-GOSISDBHSA-N 2 1 387.528 3.605 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(N2CCOC2=O)c1 ZINC000122756572 890062561 /nfs/dbraw/zinc/06/25/61/890062561.db2.gz PDNSNFSWHPZYPO-GOSISDBHSA-N 2 1 379.504 3.742 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(N2CCOC2=O)c1 ZINC000122756572 890062566 /nfs/dbraw/zinc/06/25/66/890062566.db2.gz PDNSNFSWHPZYPO-GOSISDBHSA-N 2 1 379.504 3.742 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@@H](c3cccc(Cl)c3)CC2=O)CC1 ZINC000812283893 890501065 /nfs/dbraw/zinc/50/10/65/890501065.db2.gz QDRVWHIGJOMATO-IBGZPJMESA-N 2 1 377.960 3.666 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000917008528 890735307 /nfs/dbraw/zinc/73/53/07/890735307.db2.gz LVYVWBOXKLDBMA-FDDCHVKYSA-N 2 1 398.547 3.759 20 0 GHADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1nc(Cl)nc2c1C[N@H+](C1CC1)CC2 ZINC001170679710 890754235 /nfs/dbraw/zinc/75/42/35/890754235.db2.gz UAVLJTIKHDJGAN-ZDUSSCGKSA-N 2 1 394.910 3.523 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1n1ccnc1 ZINC000247358744 891371917 /nfs/dbraw/zinc/37/19/17/891371917.db2.gz HGHRUUNYWKYACJ-KIZRIRGWSA-N 2 1 395.551 3.529 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000248431399 891436484 /nfs/dbraw/zinc/43/64/84/891436484.db2.gz XMIQXUBFQDYFAN-AVRDEDQJSA-N 2 1 383.561 3.830 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000248431399 891436491 /nfs/dbraw/zinc/43/64/91/891436491.db2.gz XMIQXUBFQDYFAN-AVRDEDQJSA-N 2 1 383.561 3.830 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000128158531 891449312 /nfs/dbraw/zinc/44/93/12/891449312.db2.gz SLERUTNIOTVRNB-HXUWFJFHSA-N 2 1 383.540 3.814 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000128158531 891449324 /nfs/dbraw/zinc/44/93/24/891449324.db2.gz SLERUTNIOTVRNB-HXUWFJFHSA-N 2 1 383.540 3.814 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)CC2)[nH+]1 ZINC000128165227 891456198 /nfs/dbraw/zinc/45/61/98/891456198.db2.gz MBRAWGAOQBIHJN-GOSISDBHSA-N 2 1 378.520 3.836 20 0 GHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128243652 891500990 /nfs/dbraw/zinc/50/09/90/891500990.db2.gz BEZFFIBZPYJYOY-MRXNPFEDSA-N 2 1 390.572 3.936 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1)c1ccccc1 ZINC000497440172 891634426 /nfs/dbraw/zinc/63/44/26/891634426.db2.gz MQXCXDKBDUVPFE-WTBLGDFPSA-N 2 1 398.595 3.917 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261626577 892047442 /nfs/dbraw/zinc/04/74/42/892047442.db2.gz AQCXJLVPCGDIRO-OAQYLSRUSA-N 2 1 383.923 3.723 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262178636 892237762 /nfs/dbraw/zinc/23/77/62/892237762.db2.gz BGYAMZDYOZSJRK-DWXQRMMNSA-N 2 1 383.580 3.511 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[N@H+]1Cc1ccccc1 ZINC000262343557 892265457 /nfs/dbraw/zinc/26/54/57/892265457.db2.gz SZYVHALQXUCJOW-LRWOZCFHSA-N 2 1 383.580 3.557 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCc1ccncc1 ZINC000459390767 892273569 /nfs/dbraw/zinc/27/35/69/892273569.db2.gz NYYIAXDSNWGGLE-KRWDZBQOSA-N 2 1 381.520 3.947 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC001137088439 892539662 /nfs/dbraw/zinc/53/96/62/892539662.db2.gz WXMKTXZQODNWQM-ZILOHOTNSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC001137088439 892539729 /nfs/dbraw/zinc/53/97/29/892539729.db2.gz WXMKTXZQODNWQM-ZILOHOTNSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC001137088439 892539774 /nfs/dbraw/zinc/53/97/74/892539774.db2.gz WXMKTXZQODNWQM-ZILOHOTNSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC001137088439 892539783 /nfs/dbraw/zinc/53/97/83/892539783.db2.gz WXMKTXZQODNWQM-ZILOHOTNSA-N 2 1 387.531 3.757 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000875477839 892635646 /nfs/dbraw/zinc/63/56/46/892635646.db2.gz RMGKXDQWCYXTDW-FPOVZHCZSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508689354 892637518 /nfs/dbraw/zinc/63/75/18/892637518.db2.gz GFVGYEHUAINEHG-RRPUWOKSSA-N 2 1 393.579 3.544 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693306 892648893 /nfs/dbraw/zinc/64/88/93/892648893.db2.gz AVDIAIKTORGGKI-NNMXDRDESA-N 2 1 375.520 3.829 20 0 GHADMP C[N@@H+](CCCCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CC1 ZINC000455612300 892719956 /nfs/dbraw/zinc/71/99/56/892719956.db2.gz MKIAVPKPYVQVON-HXUWFJFHSA-N 2 1 392.975 3.651 20 0 GHADMP C[NH+]1CCC(CNC(=O)c2cc(C3CC3)oc2C2CC2)(N2CCCCC2)CC1 ZINC000933630731 893110619 /nfs/dbraw/zinc/11/06/19/893110619.db2.gz ZNMWVLGHKFUXKJ-UHFFFAOYSA-N 2 1 385.552 3.715 20 0 GHADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498073155 893114502 /nfs/dbraw/zinc/11/45/02/893114502.db2.gz HLXJBZYOQYQCRM-NJAFHUGGSA-N 2 1 385.474 3.722 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000162748989 893117751 /nfs/dbraw/zinc/11/77/51/893117751.db2.gz SORUGLPMYQBKLU-SFHVURJKSA-N 2 1 389.565 3.621 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1CCCCC1 ZINC000918123029 893201338 /nfs/dbraw/zinc/20/13/38/893201338.db2.gz XPDWGQATXKUHGZ-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934381 893440490 /nfs/dbraw/zinc/44/04/90/893440490.db2.gz HYFSCTQJNDNTEM-UTKZUKDTSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934381 893440497 /nfs/dbraw/zinc/44/04/97/893440497.db2.gz HYFSCTQJNDNTEM-UTKZUKDTSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934381 893440501 /nfs/dbraw/zinc/44/05/01/893440501.db2.gz HYFSCTQJNDNTEM-UTKZUKDTSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934381 893440508 /nfs/dbraw/zinc/44/05/08/893440508.db2.gz HYFSCTQJNDNTEM-UTKZUKDTSA-N 2 1 387.568 3.752 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000459463511 893577130 /nfs/dbraw/zinc/57/71/30/893577130.db2.gz MFMLXYUSRJWFBT-NRFANRHFSA-N 2 1 386.584 3.814 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000556092480 893705347 /nfs/dbraw/zinc/70/53/47/893705347.db2.gz WSLYUOQQNIYIEE-VSKRKVRLSA-N 2 1 384.568 3.746 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000556092480 893705352 /nfs/dbraw/zinc/70/53/52/893705352.db2.gz WSLYUOQQNIYIEE-VSKRKVRLSA-N 2 1 384.568 3.746 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645760 893740868 /nfs/dbraw/zinc/74/08/68/893740868.db2.gz VUBUCALIOIWLAS-SFHVURJKSA-N 2 1 376.451 3.519 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645760 893740880 /nfs/dbraw/zinc/74/08/80/893740880.db2.gz VUBUCALIOIWLAS-SFHVURJKSA-N 2 1 376.451 3.519 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645760 893740895 /nfs/dbraw/zinc/74/08/95/893740895.db2.gz VUBUCALIOIWLAS-SFHVURJKSA-N 2 1 376.451 3.519 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646090 893741539 /nfs/dbraw/zinc/74/15/39/893741539.db2.gz CTOIRZDSCDNPRF-NRFANRHFSA-N 2 1 391.519 3.518 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646090 893741558 /nfs/dbraw/zinc/74/15/58/893741558.db2.gz CTOIRZDSCDNPRF-NRFANRHFSA-N 2 1 391.519 3.518 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)ccn1 ZINC000877646090 893741563 /nfs/dbraw/zinc/74/15/63/893741563.db2.gz CTOIRZDSCDNPRF-NRFANRHFSA-N 2 1 391.519 3.518 20 0 GHADMP Nc1nc(CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc2sc3c(c21)CCCC3 ZINC000536755778 893744435 /nfs/dbraw/zinc/74/44/35/893744435.db2.gz JVFFRRUDZBYKMY-INIZCTEOSA-N 2 1 399.608 3.645 20 0 GHADMP Nc1nc(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)nc2sc3c(c21)CCCC3 ZINC000536755778 893744444 /nfs/dbraw/zinc/74/44/44/893744444.db2.gz JVFFRRUDZBYKMY-INIZCTEOSA-N 2 1 399.608 3.645 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000536840275 893914501 /nfs/dbraw/zinc/91/45/01/893914501.db2.gz RORVYVLXBDONBY-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000536840275 893914513 /nfs/dbraw/zinc/91/45/13/893914513.db2.gz RORVYVLXBDONBY-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C[C@H]1c1ccccc1 ZINC000563654597 894029569 /nfs/dbraw/zinc/02/95/69/894029569.db2.gz FDYAQXYFPXFJQH-NHTNDUFYSA-N 2 1 376.544 3.653 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NCc2cccs2)CC1)CC(C)C ZINC000536888047 894030553 /nfs/dbraw/zinc/03/05/53/894030553.db2.gz LILWIXJNWANTOL-SFHVURJKSA-N 2 1 379.614 3.833 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000563659258 894034381 /nfs/dbraw/zinc/03/43/81/894034381.db2.gz ZMCFKFRTFYQUQC-YFNKSVMNSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000563659258 894034400 /nfs/dbraw/zinc/03/44/00/894034400.db2.gz ZMCFKFRTFYQUQC-YFNKSVMNSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000563659258 894034421 /nfs/dbraw/zinc/03/44/21/894034421.db2.gz ZMCFKFRTFYQUQC-YFNKSVMNSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000563659258 894034431 /nfs/dbraw/zinc/03/44/31/894034431.db2.gz ZMCFKFRTFYQUQC-YFNKSVMNSA-N 2 1 380.532 3.681 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000459727022 894113561 /nfs/dbraw/zinc/11/35/61/894113561.db2.gz HALGDKBOIFOCJA-NRFANRHFSA-N 2 1 389.547 3.815 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN(CC[NH+](C)C)Cc3ccsc3)sc2C1 ZINC000459750441 894145748 /nfs/dbraw/zinc/14/57/48/894145748.db2.gz PTCJVGCCJTYTJX-UHFFFAOYSA-N 2 1 378.611 3.535 20 0 GHADMP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537016629 894195598 /nfs/dbraw/zinc/19/55/98/894195598.db2.gz QYZMMNIZRWMVJN-GQIGUUNPSA-N 2 1 375.513 3.710 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001135345764 894393448 /nfs/dbraw/zinc/39/34/48/894393448.db2.gz FGBPEABFTQUYNN-UHFFFAOYSA-N 2 1 391.559 3.939 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000455849020 894563749 /nfs/dbraw/zinc/56/37/49/894563749.db2.gz CRISWIRVLBQCIL-HSZRJFAPSA-N 2 1 392.547 3.628 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000564189624 894702413 /nfs/dbraw/zinc/70/24/13/894702413.db2.gz ZWOREEJYGWTARO-HRAATJIYSA-N 2 1 395.551 3.661 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Br)c1 ZINC000537304505 894739441 /nfs/dbraw/zinc/73/94/41/894739441.db2.gz QBMWYXBDAINFCS-XHSDSOJGSA-N 2 1 399.373 3.998 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000645467497 913918391 /nfs/dbraw/zinc/91/83/91/913918391.db2.gz CLTODBXUELKCTH-ZTCOLXNVSA-N 2 1 387.531 3.658 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000645467497 913918401 /nfs/dbraw/zinc/91/84/01/913918401.db2.gz CLTODBXUELKCTH-ZTCOLXNVSA-N 2 1 387.531 3.658 20 0 GHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC000816642289 894986886 /nfs/dbraw/zinc/98/68/86/894986886.db2.gz VHRCEXDIOHTSMG-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC000816642289 894986899 /nfs/dbraw/zinc/98/68/99/894986899.db2.gz VHRCEXDIOHTSMG-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC000816642289 894986913 /nfs/dbraw/zinc/98/69/13/894986913.db2.gz VHRCEXDIOHTSMG-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC000816642289 894986923 /nfs/dbraw/zinc/98/69/23/894986923.db2.gz VHRCEXDIOHTSMG-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000816765352 895059302 /nfs/dbraw/zinc/05/93/02/895059302.db2.gz BYDHTCMONCQPEZ-IBGZPJMESA-N 2 1 382.508 3.769 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)CC2)CC1 ZINC000816821894 895113756 /nfs/dbraw/zinc/11/37/56/895113756.db2.gz PXZIRINKZUXCQW-UHFFFAOYSA-N 2 1 399.366 3.710 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879614967 895178249 /nfs/dbraw/zinc/17/82/49/895178249.db2.gz CZTPJCOFHZJUGZ-KRWDZBQOSA-N 2 1 379.614 3.684 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879614967 895178257 /nfs/dbraw/zinc/17/82/57/895178257.db2.gz CZTPJCOFHZJUGZ-KRWDZBQOSA-N 2 1 379.614 3.684 20 0 GHADMP C[C@@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000565509321 895685998 /nfs/dbraw/zinc/68/59/98/895685998.db2.gz WFOOHLIIUXLURD-IPMKNSEASA-N 2 1 378.532 3.519 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1cc(C)cs1)CC2 ZINC001137154327 895716365 /nfs/dbraw/zinc/71/63/65/895716365.db2.gz DECBNICLZFUWDP-HXUWFJFHSA-N 2 1 392.609 3.786 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000566109878 896114919 /nfs/dbraw/zinc/11/49/19/896114919.db2.gz DOXYMWLNLAHKJQ-OXJNMPFZSA-N 2 1 387.474 3.936 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000566109878 896114929 /nfs/dbraw/zinc/11/49/29/896114929.db2.gz DOXYMWLNLAHKJQ-OXJNMPFZSA-N 2 1 387.474 3.936 20 0 GHADMP C[NH2+]CCC1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000566206412 896171132 /nfs/dbraw/zinc/17/11/32/896171132.db2.gz CPCRRLXVHXXUSU-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001136147112 896175250 /nfs/dbraw/zinc/17/52/50/896175250.db2.gz RIIGQRYLWFBCBI-DHIUTWEWSA-N 2 1 397.607 3.915 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC001136143417 896185630 /nfs/dbraw/zinc/18/56/30/896185630.db2.gz LXKZSIKGAIBXHH-QHCPKHFHSA-N 2 1 391.559 3.667 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818959601 896297205 /nfs/dbraw/zinc/29/72/05/896297205.db2.gz ONBKQYCAIATUGA-RDTXWAMCSA-N 2 1 387.337 3.866 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000818970382 896328769 /nfs/dbraw/zinc/32/87/69/896328769.db2.gz ODRHTZRVHZHPME-LJQANCHMSA-N 2 1 382.426 3.860 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3c(F)cccc3F)CC2)cs1 ZINC000819048765 896340806 /nfs/dbraw/zinc/34/08/06/896340806.db2.gz BEZCCJNTDDYSAT-GOSISDBHSA-N 2 1 395.519 3.519 20 0 GHADMP Cn1cc([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc2)cn1 ZINC000566643283 896446237 /nfs/dbraw/zinc/44/62/37/896446237.db2.gz FCOZLWFEUKQJOL-DEOSSOPVSA-N 2 1 390.531 3.774 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819284403 896528877 /nfs/dbraw/zinc/52/88/77/896528877.db2.gz PNDMPJNHWIUOJZ-QHCPKHFHSA-N 2 1 383.511 3.965 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819284399 896528914 /nfs/dbraw/zinc/52/89/14/896528914.db2.gz PNDMPJNHWIUOJZ-HSZRJFAPSA-N 2 1 383.511 3.965 20 0 GHADMP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000566764792 896552180 /nfs/dbraw/zinc/55/21/80/896552180.db2.gz QKDKHFKGVBFNIX-FQEVSTJZSA-N 2 1 399.623 3.649 20 0 GHADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001136218672 896633460 /nfs/dbraw/zinc/63/34/60/896633460.db2.gz ZHVVAALLTJVFIV-WOJBJXKFSA-N 2 1 377.960 3.858 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001136218672 896633472 /nfs/dbraw/zinc/63/34/72/896633472.db2.gz ZHVVAALLTJVFIV-WOJBJXKFSA-N 2 1 377.960 3.858 20 0 GHADMP Cc1ccccc1OC[C@H](O)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000819446047 896679551 /nfs/dbraw/zinc/67/95/51/896679551.db2.gz YHLIKLVEFRQFEU-HSZRJFAPSA-N 2 1 397.563 3.625 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000567048454 896830482 /nfs/dbraw/zinc/83/04/82/896830482.db2.gz DBCFNRJUNQTRER-CVEARBPZSA-N 2 1 389.341 3.661 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)[C@H]2CCC[C@@H]21 ZINC000567130981 896897463 /nfs/dbraw/zinc/89/74/63/896897463.db2.gz MQBNYPVUENHVOA-MNEFBYGVSA-N 2 1 376.342 3.935 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000567213726 896973567 /nfs/dbraw/zinc/97/35/67/896973567.db2.gz ACGAYQQJGMTAMD-GOTSBHOMSA-N 2 1 382.548 3.627 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000567350526 897084208 /nfs/dbraw/zinc/08/42/08/897084208.db2.gz LRQNXZGGHPTDJK-UHFFFAOYSA-N 2 1 398.378 3.854 20 0 GHADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc21 ZINC000567579937 897267583 /nfs/dbraw/zinc/26/75/83/897267583.db2.gz ZCCMPEQCDUCMAJ-HUVFLSCGSA-N 2 1 391.559 3.650 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000568521124 897904821 /nfs/dbraw/zinc/90/48/21/897904821.db2.gz DTRTXSUOCFJDLF-UHFFFAOYSA-N 2 1 394.563 3.662 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC001136456014 897905573 /nfs/dbraw/zinc/90/55/73/897905573.db2.gz UKUWGZMWKVIWLA-FGZHOGPDSA-N 2 1 397.563 3.733 20 0 GHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1O2 ZINC000568864995 898176389 /nfs/dbraw/zinc/17/63/89/898176389.db2.gz KRMXOLLTZWBFCW-QGZVFWFLSA-N 2 1 394.441 3.523 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1)c1ccccc1 ZINC000569196580 898413572 /nfs/dbraw/zinc/41/35/72/898413572.db2.gz FNTPMYKVWTWQMT-XSLAUPDRSA-N 2 1 384.568 3.574 20 0 GHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000569222692 898443052 /nfs/dbraw/zinc/44/30/52/898443052.db2.gz MSUOJYJLDARUKG-KPFFTGBYSA-N 2 1 392.613 3.503 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001136660243 898817220 /nfs/dbraw/zinc/81/72/20/898817220.db2.gz IILYPIDURDFHBJ-QHCPKHFHSA-N 2 1 385.596 3.837 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767390 898936428 /nfs/dbraw/zinc/93/64/28/898936428.db2.gz QIOWHTTXDNQMIY-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767390 898936433 /nfs/dbraw/zinc/93/64/33/898936433.db2.gz QIOWHTTXDNQMIY-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767390 898936441 /nfs/dbraw/zinc/93/64/41/898936441.db2.gz QIOWHTTXDNQMIY-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CCC2CC[NH+](C)CC2)cs1)c1ccc(C)cc1 ZINC000113336195 898987508 /nfs/dbraw/zinc/98/75/08/898987508.db2.gz DBLOCUYBQUBRIC-UHFFFAOYSA-N 2 1 386.565 3.958 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCCCc3ccccc3)CC2)CC1 ZINC000569865104 898993126 /nfs/dbraw/zinc/99/31/26/898993126.db2.gz UJBQRONYJBKVQP-UHFFFAOYSA-N 2 1 385.596 3.664 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)C1 ZINC000570215534 899200853 /nfs/dbraw/zinc/20/08/53/899200853.db2.gz IZYCIIMFIIFSTL-PZJWPPBQSA-N 2 1 385.577 3.647 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000823742126 899213683 /nfs/dbraw/zinc/21/36/83/899213683.db2.gz JTWXPDYBEGFQNO-VQTJNVASSA-N 2 1 384.524 3.922 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(-c2ccccc2)nn1C ZINC000570524790 899359379 /nfs/dbraw/zinc/35/93/79/899359379.db2.gz JWRYAFBWLBHGNZ-HYVJGQCMSA-N 2 1 382.552 3.506 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H]1c1ccccc1 ZINC000570717937 899529748 /nfs/dbraw/zinc/52/97/48/899529748.db2.gz IASPGVZBGXJMCK-TZRRMPRUSA-N 2 1 376.544 3.939 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H]1c1ccccc1 ZINC000570717937 899529752 /nfs/dbraw/zinc/52/97/52/899529752.db2.gz IASPGVZBGXJMCK-TZRRMPRUSA-N 2 1 376.544 3.939 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571126163 899753001 /nfs/dbraw/zinc/75/30/01/899753001.db2.gz SMFHJGGYCSXQCH-FFGOWVMKSA-N 2 1 384.486 3.970 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000333108598 899969145 /nfs/dbraw/zinc/96/91/45/899969145.db2.gz GASUAQHDQFNHFG-KKSFZXQISA-N 2 1 398.576 3.575 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000572186151 900094601 /nfs/dbraw/zinc/09/46/01/900094601.db2.gz OWONPUXQZOQFGM-CTWPCTMYSA-N 2 1 397.485 3.573 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171082514 900112017 /nfs/dbraw/zinc/11/20/17/900112017.db2.gz KMOZSIFSYGDBND-FFZOFVMBSA-N 2 1 382.379 3.561 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CC[N@H+]1C ZINC001143835683 900597452 /nfs/dbraw/zinc/59/74/52/900597452.db2.gz HGXXRZCWFVAMRD-FCHUYYIVSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)C1 ZINC001186313414 914464498 /nfs/dbraw/zinc/46/44/98/914464498.db2.gz RURNQFCWJTZBRV-RPWUZVMVSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)C1 ZINC001186313414 914464502 /nfs/dbraw/zinc/46/45/02/914464502.db2.gz RURNQFCWJTZBRV-RPWUZVMVSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)C1 ZINC001186313414 914464510 /nfs/dbraw/zinc/46/45/10/914464510.db2.gz RURNQFCWJTZBRV-RPWUZVMVSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)C1 ZINC001186313414 914464518 /nfs/dbraw/zinc/46/45/18/914464518.db2.gz RURNQFCWJTZBRV-RPWUZVMVSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)C1 ZINC001186313414 914464532 /nfs/dbraw/zinc/46/45/32/914464532.db2.gz RURNQFCWJTZBRV-RPWUZVMVSA-N 2 1 391.559 3.555 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000886503760 901092434 /nfs/dbraw/zinc/09/24/34/901092434.db2.gz DDPPWCRGGOQMEI-XLIONFOSSA-N 2 1 396.535 3.669 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000886503760 901092444 /nfs/dbraw/zinc/09/24/44/901092444.db2.gz DDPPWCRGGOQMEI-XLIONFOSSA-N 2 1 396.535 3.669 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886503939 901092760 /nfs/dbraw/zinc/09/27/60/901092760.db2.gz LDPPTKNGAVNSLW-WWNPGLIZSA-N 2 1 377.532 3.579 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886516377 901112811 /nfs/dbraw/zinc/11/28/11/901112811.db2.gz FUXMHHFKRDEIID-PMVMPFDFSA-N 2 1 383.580 3.666 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1Cl ZINC000886527022 901124733 /nfs/dbraw/zinc/12/47/33/901124733.db2.gz XDAAYXHGPAQWCB-ZCNNSNEGSA-N 2 1 397.950 3.713 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)c1 ZINC000123875540 901992539 /nfs/dbraw/zinc/99/25/39/901992539.db2.gz VSHKXTXUZSHQKL-KRWDZBQOSA-N 2 1 399.535 3.662 20 0 GHADMP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)c2)CC1 ZINC000333365332 902037075 /nfs/dbraw/zinc/03/70/75/902037075.db2.gz YBNWTBLUZOFKEJ-NRFANRHFSA-N 2 1 398.551 3.779 20 0 GHADMP c1c2cccnc2oc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000576699562 902201991 /nfs/dbraw/zinc/20/19/91/902201991.db2.gz LUCHPZOOFOGDRE-OAQYLSRUSA-N 2 1 391.515 3.846 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000126900766 902388393 /nfs/dbraw/zinc/38/83/93/902388393.db2.gz VUYXKWZNTLNXMF-ZWKOTPCHSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000126900766 902388399 /nfs/dbraw/zinc/38/83/99/902388399.db2.gz VUYXKWZNTLNXMF-ZWKOTPCHSA-N 2 1 381.549 3.892 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000779018257 902937865 /nfs/dbraw/zinc/93/78/65/902937865.db2.gz KTEUKTWRZZPEGF-GXRSIYKFSA-N 2 1 399.579 3.996 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000577637918 902985418 /nfs/dbraw/zinc/98/54/18/902985418.db2.gz JQOMIILHPLOQBN-QIIPPGSGSA-N 2 1 378.467 3.711 20 0 GHADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000600888926 903053028 /nfs/dbraw/zinc/05/30/28/903053028.db2.gz MZQAAMCLDFBREN-FESBUIRDSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000600997151 903206644 /nfs/dbraw/zinc/20/66/44/903206644.db2.gz UWNLKYDSDITYJQ-RTWAWAEBSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000132316040 903237347 /nfs/dbraw/zinc/23/73/47/903237347.db2.gz RMYCYPSCHWZDDP-MRXNPFEDSA-N 2 1 386.927 3.706 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)[C@H]1c1cccs1 ZINC000578127561 903543458 /nfs/dbraw/zinc/54/34/58/903543458.db2.gz DITUJXJYIODGPA-GUXCAODWSA-N 2 1 394.968 3.814 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)[C@H]1c1cccs1 ZINC000578127561 903543471 /nfs/dbraw/zinc/54/34/71/903543471.db2.gz DITUJXJYIODGPA-GUXCAODWSA-N 2 1 394.968 3.814 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OCc1cccnc1 ZINC000290597499 914748769 /nfs/dbraw/zinc/74/87/69/914748769.db2.gz VSJQVDJAFDSHDI-QFIPXVFZSA-N 2 1 395.547 3.833 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000779087939 904049100 /nfs/dbraw/zinc/04/91/00/904049100.db2.gz QSECLPKNIGUSKI-INIZCTEOSA-N 2 1 390.572 3.938 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000779087939 904049115 /nfs/dbraw/zinc/04/91/15/904049115.db2.gz QSECLPKNIGUSKI-INIZCTEOSA-N 2 1 390.572 3.938 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579110528 904355881 /nfs/dbraw/zinc/35/58/81/904355881.db2.gz NYFQUMJPDUGSGO-SMOSDQRPSA-N 2 1 395.950 3.886 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000579230678 904444609 /nfs/dbraw/zinc/44/46/09/904444609.db2.gz RPTJHQZAENUXOS-HNNXBMFYSA-N 2 1 377.941 3.651 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000579230678 904444613 /nfs/dbraw/zinc/44/46/13/904444613.db2.gz RPTJHQZAENUXOS-HNNXBMFYSA-N 2 1 377.941 3.651 20 0 GHADMP CCN1CCC([N@@H+](C)Cc2ccc(OC(=O)c3cccs3)c(OC)c2)CC1 ZINC001137256336 904682108 /nfs/dbraw/zinc/68/21/08/904682108.db2.gz DBHLVDZJAOZRSH-UHFFFAOYSA-N 2 1 388.533 3.892 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716721300 904698455 /nfs/dbraw/zinc/69/84/55/904698455.db2.gz ZWUJMXWADYSULA-WCIQWLHISA-N 2 1 381.486 3.513 20 0 GHADMP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171543081 904770585 /nfs/dbraw/zinc/77/05/85/904770585.db2.gz FASGGYNZVIISGI-SFHVURJKSA-N 2 1 397.529 3.701 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889827673 904783677 /nfs/dbraw/zinc/78/36/77/904783677.db2.gz LVJVUYKXWCTBKH-GOSISDBHSA-N 2 1 384.568 3.626 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)nc(C)[nH+]1 ZINC001171548237 904822234 /nfs/dbraw/zinc/82/22/34/904822234.db2.gz WZKAUBFUBUMODY-MRXNPFEDSA-N 2 1 390.453 3.627 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C2)C1 ZINC001171612421 904872658 /nfs/dbraw/zinc/87/26/58/904872658.db2.gz JHSHFHDTUNCMQG-HMFYCAOWSA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C2)C1 ZINC001171612421 904872670 /nfs/dbraw/zinc/87/26/70/904872670.db2.gz JHSHFHDTUNCMQG-HMFYCAOWSA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C2)C1 ZINC001171612421 904872674 /nfs/dbraw/zinc/87/26/74/904872674.db2.gz JHSHFHDTUNCMQG-HMFYCAOWSA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)CC1(C)C ZINC001171622220 904886942 /nfs/dbraw/zinc/88/69/42/904886942.db2.gz XQUNIJXHJIEKGJ-OAHLLOKOSA-N 2 1 389.531 3.872 20 0 GHADMP CC[C@@H]1[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001171635018 904922451 /nfs/dbraw/zinc/92/24/51/904922451.db2.gz KYGPFZPPWAPFTC-CVDCTZTESA-N 2 1 393.616 3.520 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC3)cn1 ZINC001171636089 904923902 /nfs/dbraw/zinc/92/39/02/904923902.db2.gz ARBNJDMGBUHBHF-UHFFFAOYSA-N 2 1 387.616 3.502 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)CC1(C)C ZINC001171636674 904925889 /nfs/dbraw/zinc/92/58/89/904925889.db2.gz IITJBVDKRHFXPS-FXAWDEMLSA-N 2 1 387.543 3.623 20 0 GHADMP C[C@H]1C[C@@H](N2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171737933 905021924 /nfs/dbraw/zinc/02/19/24/905021924.db2.gz FATOADQMGDORIE-WMZHIEFXSA-N 2 1 381.539 3.825 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171739760 905027338 /nfs/dbraw/zinc/02/73/38/905027338.db2.gz GEZQRUBWEKYNNQ-SIKLNZKXSA-N 2 1 379.548 3.608 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001171799353 905058619 /nfs/dbraw/zinc/05/86/19/905058619.db2.gz NUWYZKLOIRCADF-PTUXOGIPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC001171799353 905058638 /nfs/dbraw/zinc/05/86/38/905058638.db2.gz NUWYZKLOIRCADF-PTUXOGIPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC001171799353 905058657 /nfs/dbraw/zinc/05/86/57/905058657.db2.gz NUWYZKLOIRCADF-PTUXOGIPSA-N 2 1 383.580 3.668 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000290927642 914875588 /nfs/dbraw/zinc/87/55/88/914875588.db2.gz OOHKHDPVBIHSPQ-PXNSSMCTSA-N 2 1 388.943 3.607 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000290927642 914875606 /nfs/dbraw/zinc/87/56/06/914875606.db2.gz OOHKHDPVBIHSPQ-PXNSSMCTSA-N 2 1 388.943 3.607 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967447 905169009 /nfs/dbraw/zinc/16/90/09/905169009.db2.gz ACOPMPFQJHVWAQ-HKUYNNGSSA-N 2 1 375.557 3.932 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@]23C[C@H]2CN(C(=O)c2ccco2)C3)CC[N@H+]1Cc1ccccc1 ZINC001171963975 905170982 /nfs/dbraw/zinc/17/09/82/905170982.db2.gz GGZSWBMRMKLUTC-SKPFHBQLSA-N 2 1 393.531 3.527 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989587 905199437 /nfs/dbraw/zinc/19/94/37/905199437.db2.gz DWYZRNSIVOVHPX-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989587 905199444 /nfs/dbraw/zinc/19/94/44/905199444.db2.gz DWYZRNSIVOVHPX-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989587 905199452 /nfs/dbraw/zinc/19/94/52/905199452.db2.gz DWYZRNSIVOVHPX-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989587 905199457 /nfs/dbraw/zinc/19/94/57/905199457.db2.gz DWYZRNSIVOVHPX-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987584 905250285 /nfs/dbraw/zinc/25/02/85/905250285.db2.gz XXNPWWKPUPKXFZ-YADHBBJMSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987584 905250299 /nfs/dbraw/zinc/25/02/99/905250299.db2.gz XXNPWWKPUPKXFZ-YADHBBJMSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987584 905250314 /nfs/dbraw/zinc/25/03/14/905250314.db2.gz XXNPWWKPUPKXFZ-YADHBBJMSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987584 905250327 /nfs/dbraw/zinc/25/03/27/905250327.db2.gz XXNPWWKPUPKXFZ-YADHBBJMSA-N 2 1 398.595 3.699 20 0 GHADMP CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1=O ZINC001172029460 905264959 /nfs/dbraw/zinc/26/49/59/905264959.db2.gz BKSLMRDZWQADAC-VXNXHJTFSA-N 2 1 391.559 3.645 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H](N2CC4(C2)CC[N@H+](CC2CC2)C4)C3)cc1 ZINC001172073506 905276222 /nfs/dbraw/zinc/27/62/22/905276222.db2.gz XALGWJHWYYFJNG-BKFWDETESA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC4(C2)CC[NH+](CC2CC2)C4)C3)cc1 ZINC001172073506 905276243 /nfs/dbraw/zinc/27/62/43/905276243.db2.gz XALGWJHWYYFJNG-BKFWDETESA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CC4(C2)CC[NH+](CC2CC2)C4)C3)cc1 ZINC001172073506 905276258 /nfs/dbraw/zinc/27/62/58/905276258.db2.gz XALGWJHWYYFJNG-BKFWDETESA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2C[C@@H](OCC4CC4)[C@H]4COC[C@H]42)C3)cc1 ZINC001172074906 905284195 /nfs/dbraw/zinc/28/41/95/905284195.db2.gz VLQVOBDBYKKGRT-YCBFDDBMSA-N 2 1 396.575 3.698 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2C[C@@H](OCC4CC4)[C@H]4COC[C@H]42)C3)cc1 ZINC001172074906 905284208 /nfs/dbraw/zinc/28/42/08/905284208.db2.gz VLQVOBDBYKKGRT-YCBFDDBMSA-N 2 1 396.575 3.698 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H](OCC4CC4)[C@H]4COC[C@H]42)C3)cc1 ZINC001172074906 905284226 /nfs/dbraw/zinc/28/42/26/905284226.db2.gz VLQVOBDBYKKGRT-YCBFDDBMSA-N 2 1 396.575 3.698 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2C[C@@H](OCC4CC4)[C@H]4COC[C@H]42)C3)cc1 ZINC001172074906 905284242 /nfs/dbraw/zinc/28/42/42/905284242.db2.gz VLQVOBDBYKKGRT-YCBFDDBMSA-N 2 1 396.575 3.698 20 0 GHADMP Fc1cnc(O[C@@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001172084775 905299293 /nfs/dbraw/zinc/29/92/93/905299293.db2.gz DJVXUPFXTSYARK-CLAROIROSA-N 2 1 396.510 3.655 20 0 GHADMP Fc1cnc(O[C@@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084775 905299305 /nfs/dbraw/zinc/29/93/05/905299305.db2.gz DJVXUPFXTSYARK-CLAROIROSA-N 2 1 396.510 3.655 20 0 GHADMP Fc1cnc(O[C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084775 905299321 /nfs/dbraw/zinc/29/93/21/905299321.db2.gz DJVXUPFXTSYARK-CLAROIROSA-N 2 1 396.510 3.655 20 0 GHADMP COC(=O)c1cccc(C(=[NH2+])N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172066675 905330785 /nfs/dbraw/zinc/33/07/85/905330785.db2.gz AYPMEXLFLJCIBZ-DKUWSORSSA-N 2 1 391.515 3.974 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C1)C2 ZINC001172130406 905343070 /nfs/dbraw/zinc/34/30/70/905343070.db2.gz OXKSMRDGHTZOGX-ZGXWSNOMSA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C1)C2 ZINC001172130406 905343114 /nfs/dbraw/zinc/34/31/14/905343114.db2.gz OXKSMRDGHTZOGX-ZGXWSNOMSA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C1)C2 ZINC001172130406 905343133 /nfs/dbraw/zinc/34/31/33/905343133.db2.gz OXKSMRDGHTZOGX-ZGXWSNOMSA-N 2 1 377.573 3.866 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3ncnc(-c4ccc(F)cc4)c3CC1)C2 ZINC001172117595 905370211 /nfs/dbraw/zinc/37/02/11/905370211.db2.gz KBRLIXOVJSJUNG-PMOLBWCYSA-N 2 1 380.511 3.699 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3ncnc(-c4ccc(F)cc4)c3CC1)C2 ZINC001172117595 905370229 /nfs/dbraw/zinc/37/02/29/905370229.db2.gz KBRLIXOVJSJUNG-PMOLBWCYSA-N 2 1 380.511 3.699 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3ncnc(-c4ccc(F)cc4)c3CC1)C2 ZINC001172117595 905370248 /nfs/dbraw/zinc/37/02/48/905370248.db2.gz KBRLIXOVJSJUNG-PMOLBWCYSA-N 2 1 380.511 3.699 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1cccc(F)c1)[C@H]1CO[C@@]3(C1)CCC[NH2+]C3)C2 ZINC001172117323 905372930 /nfs/dbraw/zinc/37/29/30/905372930.db2.gz IXNFNJRIOPMGLR-AEDQLDONSA-N 2 1 387.543 3.559 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172120225 905379788 /nfs/dbraw/zinc/37/97/88/905379788.db2.gz AXWWAVPEWMLFST-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccnc(F)c3)c(F)c2)CC1 ZINC001172245046 905443910 /nfs/dbraw/zinc/44/39/10/905443910.db2.gz OPFKIOIPCZIXDB-UHFFFAOYSA-N 2 1 375.463 3.617 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1)C(C)C ZINC000175093518 905448109 /nfs/dbraw/zinc/44/81/09/905448109.db2.gz IGZPLROXZIOBEI-UHFFFAOYSA-N 2 1 396.535 3.669 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1)C(C)C ZINC000175093518 905448124 /nfs/dbraw/zinc/44/81/24/905448124.db2.gz IGZPLROXZIOBEI-UHFFFAOYSA-N 2 1 396.535 3.669 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172330924 905495375 /nfs/dbraw/zinc/49/53/75/905495375.db2.gz OSZNNDMBKYUVRB-AABGKKOBSA-N 2 1 378.557 3.929 20 0 GHADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172472494 905552485 /nfs/dbraw/zinc/55/24/85/905552485.db2.gz PFGAVZKPLBHGSK-CZYKHXBRSA-N 2 1 376.589 3.508 20 0 GHADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172472494 905552496 /nfs/dbraw/zinc/55/24/96/905552496.db2.gz PFGAVZKPLBHGSK-CZYKHXBRSA-N 2 1 376.589 3.508 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001172472494 905552505 /nfs/dbraw/zinc/55/25/05/905552505.db2.gz PFGAVZKPLBHGSK-CZYKHXBRSA-N 2 1 376.589 3.508 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001172472494 905552512 /nfs/dbraw/zinc/55/25/12/905552512.db2.gz PFGAVZKPLBHGSK-CZYKHXBRSA-N 2 1 376.589 3.508 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C2)CC1 ZINC001172531652 905594303 /nfs/dbraw/zinc/59/43/03/905594303.db2.gz NYPOUMQGFIZMIO-RJGXRXQPSA-N 2 1 395.591 3.735 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584940 921165502 /nfs/dbraw/zinc/16/55/02/921165502.db2.gz OBMRYPXGDJXISD-GMAHTHKFSA-N 2 1 398.547 3.628 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584940 921165527 /nfs/dbraw/zinc/16/55/27/921165527.db2.gz OBMRYPXGDJXISD-GMAHTHKFSA-N 2 1 398.547 3.628 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644906 905707494 /nfs/dbraw/zinc/70/74/94/905707494.db2.gz AWZLNBOHRJYMMU-KNKQGSTJSA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644906 905707501 /nfs/dbraw/zinc/70/75/01/905707501.db2.gz AWZLNBOHRJYMMU-KNKQGSTJSA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644906 905707516 /nfs/dbraw/zinc/70/75/16/905707516.db2.gz AWZLNBOHRJYMMU-KNKQGSTJSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682774 905735299 /nfs/dbraw/zinc/73/52/99/905735299.db2.gz RKYLGQWEBHYBNF-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682774 905735310 /nfs/dbraw/zinc/73/53/10/905735310.db2.gz RKYLGQWEBHYBNF-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682774 905735312 /nfs/dbraw/zinc/73/53/12/905735312.db2.gz RKYLGQWEBHYBNF-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001172665302 905749812 /nfs/dbraw/zinc/74/98/12/905749812.db2.gz IVRQQDRIXARBCH-FGCOXFRFSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001172665302 905749815 /nfs/dbraw/zinc/74/98/15/905749815.db2.gz IVRQQDRIXARBCH-FGCOXFRFSA-N 2 1 391.559 3.820 20 0 GHADMP COC(=O)N1CCC([NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)CC1 ZINC001172737631 905781739 /nfs/dbraw/zinc/78/17/39/905781739.db2.gz IDOHBEAXVJCFIS-UHFFFAOYSA-N 2 1 399.579 3.904 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001172808735 905840381 /nfs/dbraw/zinc/84/03/81/905840381.db2.gz PWRRCICYUOOUCQ-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001172808735 905840386 /nfs/dbraw/zinc/84/03/86/905840386.db2.gz PWRRCICYUOOUCQ-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001172808735 905840395 /nfs/dbraw/zinc/84/03/95/905840395.db2.gz PWRRCICYUOOUCQ-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001172797670 905870883 /nfs/dbraw/zinc/87/08/83/905870883.db2.gz IJNOLBNVGORHIM-BEDNHLLMSA-N 2 1 390.527 3.685 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172858230 905913097 /nfs/dbraw/zinc/91/30/97/905913097.db2.gz KXZNXNJLYLWTKJ-NBCNXNJRSA-N 2 1 390.930 3.883 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172858230 905913102 /nfs/dbraw/zinc/91/31/02/905913102.db2.gz KXZNXNJLYLWTKJ-NBCNXNJRSA-N 2 1 390.930 3.883 20 0 GHADMP Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001212689327 905974250 /nfs/dbraw/zinc/97/42/50/905974250.db2.gz YTHVTAUTFKJSQM-IRXDYDNUSA-N 2 1 395.551 3.951 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CCN(C(=O)c4cccc(F)c4)[C@@H]3C2)CC1 ZINC001173110192 906197325 /nfs/dbraw/zinc/19/73/25/906197325.db2.gz IGBUNZZAMVNFFS-FTWXPCQCSA-N 2 1 387.543 3.625 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)CC1 ZINC001173111983 906200174 /nfs/dbraw/zinc/20/01/74/906200174.db2.gz TUCPTKFKQKTSFQ-YABDQXBESA-N 2 1 387.543 3.908 20 0 GHADMP CCSC[C@H](C)[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001173302214 906361252 /nfs/dbraw/zinc/36/12/52/906361252.db2.gz PQLZCLIXCGBHDL-IRXDYDNUSA-N 2 1 383.627 3.588 20 0 GHADMP CCN1CC[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173357967 906393885 /nfs/dbraw/zinc/39/38/85/906393885.db2.gz MDQSCXGHKHXYBY-FHWLQOOXSA-N 2 1 380.374 3.615 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC001173409095 906435280 /nfs/dbraw/zinc/43/52/80/906435280.db2.gz QRNWTHGLGHWWAF-VXKWHMMOSA-N 2 1 399.579 3.639 20 0 GHADMP COc1ccc(C(=O)N2CCC([NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001173409095 906435285 /nfs/dbraw/zinc/43/52/85/906435285.db2.gz QRNWTHGLGHWWAF-VXKWHMMOSA-N 2 1 399.579 3.639 20 0 GHADMP COc1ccc(C(=O)N2CCC([NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001173409095 906435291 /nfs/dbraw/zinc/43/52/91/906435291.db2.gz QRNWTHGLGHWWAF-VXKWHMMOSA-N 2 1 399.579 3.639 20 0 GHADMP CN(C)C(=O)c1cccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179391644 906491146 /nfs/dbraw/zinc/49/11/46/906491146.db2.gz BLRHHSNRCYLZGY-UHFFFAOYSA-N 2 1 380.536 3.522 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634127 906586052 /nfs/dbraw/zinc/58/60/52/906586052.db2.gz OPZMXCVFFPFDEV-VMXMFDLUSA-N 2 1 388.552 3.889 20 0 GHADMP c1nnn([C@H]2CCC[C@@H]([N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)C2)n1 ZINC001173769003 906688681 /nfs/dbraw/zinc/68/86/81/906688681.db2.gz NSUFULDUJQGABR-YADHBBJMSA-N 2 1 394.567 3.535 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3nc4ccccc4n3C)CC2)oc1C ZINC000180109320 906691444 /nfs/dbraw/zinc/69/14/44/906691444.db2.gz UTFLRBFUCLGHEX-MRXNPFEDSA-N 2 1 381.524 3.741 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180111509 906691755 /nfs/dbraw/zinc/69/17/55/906691755.db2.gz UHBZOGDLHKLOIT-NOTZXAQLSA-N 2 1 377.532 3.722 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180111509 906691765 /nfs/dbraw/zinc/69/17/65/906691765.db2.gz UHBZOGDLHKLOIT-NOTZXAQLSA-N 2 1 377.532 3.722 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180110001 906691943 /nfs/dbraw/zinc/69/19/43/906691943.db2.gz LWHUXXKTRVHRBJ-XUBOLADHSA-N 2 1 381.486 3.656 20 0 GHADMP CCCOc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1F ZINC000629502407 906838490 /nfs/dbraw/zinc/83/84/90/906838490.db2.gz YTFSMVPYMIFEBI-UHFFFAOYSA-N 2 1 391.531 3.749 20 0 GHADMP O[C@@H](C[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000629580162 906875330 /nfs/dbraw/zinc/87/53/30/906875330.db2.gz NRNAZUJOAQUEAK-VXKWHMMOSA-N 2 1 388.939 3.644 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2([NH3+])CCOCC2)c(C)c1 ZINC000629653446 906929926 /nfs/dbraw/zinc/92/99/26/906929926.db2.gz HPEXWSBGCMGGGP-UHFFFAOYSA-N 2 1 390.531 3.754 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655851 906933647 /nfs/dbraw/zinc/93/36/47/906933647.db2.gz LIEJRNCQFHZBLX-ROUUACIJSA-N 2 1 379.426 3.716 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655851 906933669 /nfs/dbraw/zinc/93/36/69/906933669.db2.gz LIEJRNCQFHZBLX-ROUUACIJSA-N 2 1 379.426 3.716 20 0 GHADMP CN1CC[NH+](CCOc2ccc(-c3ccc4c(c3)CCCC[C@H]4[NH3+])cc2)CC1 ZINC000629705232 906971104 /nfs/dbraw/zinc/97/11/04/906971104.db2.gz IIDCHDLDKFYBIA-XMMPIXPASA-N 2 1 379.548 3.706 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000181956342 907105327 /nfs/dbraw/zinc/10/53/27/907105327.db2.gz OLEFUULBMBPWLR-LJQANCHMSA-N 2 1 394.563 3.633 20 0 GHADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000182235070 907165708 /nfs/dbraw/zinc/16/57/08/907165708.db2.gz SSQGOWSARXDEAC-RTBURBONSA-N 2 1 385.577 3.829 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2)CC1 ZINC000182455569 907209806 /nfs/dbraw/zinc/20/98/06/907209806.db2.gz UCIJCDPATLIWLJ-LJQANCHMSA-N 2 1 398.595 3.810 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001175361026 907518120 /nfs/dbraw/zinc/51/81/20/907518120.db2.gz FCSCODPNZZIYFZ-PZJWPPBQSA-N 2 1 377.573 3.726 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001175361026 907518135 /nfs/dbraw/zinc/51/81/35/907518135.db2.gz FCSCODPNZZIYFZ-PZJWPPBQSA-N 2 1 377.573 3.726 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668311 907811075 /nfs/dbraw/zinc/81/10/75/907811075.db2.gz FXUMUQSSRSSMDE-GJZGRUSLSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668311 907811092 /nfs/dbraw/zinc/81/10/92/907811092.db2.gz FXUMUQSSRSSMDE-GJZGRUSLSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1OC(F)F ZINC000185759056 907831374 /nfs/dbraw/zinc/83/13/74/907831374.db2.gz YWBYZYXYUDJKTG-HRCADAONSA-N 2 1 395.494 3.858 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1OC(F)F ZINC000185759056 907831390 /nfs/dbraw/zinc/83/13/90/907831390.db2.gz YWBYZYXYUDJKTG-HRCADAONSA-N 2 1 395.494 3.858 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191181879 908590602 /nfs/dbraw/zinc/59/06/02/908590602.db2.gz RUXPXEUPIRVZET-IBGZPJMESA-N 2 1 383.584 3.761 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cnn1C(C)(C)C ZINC000191192871 908592019 /nfs/dbraw/zinc/59/20/19/908592019.db2.gz XDOONXNJWLUFOE-GOSISDBHSA-N 2 1 383.584 3.545 20 0 GHADMP CC(C)(C[NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(Br)cc1 ZINC001177729697 908708721 /nfs/dbraw/zinc/70/87/21/908708721.db2.gz SVMFZKKSYIRTII-UHFFFAOYSA-N 2 1 395.385 3.961 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001177910443 908796749 /nfs/dbraw/zinc/79/67/49/908796749.db2.gz APNYVPJKTGFZKT-RPBOFIJWSA-N 2 1 387.527 3.721 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001177910443 908796761 /nfs/dbraw/zinc/79/67/61/908796761.db2.gz APNYVPJKTGFZKT-RPBOFIJWSA-N 2 1 387.527 3.721 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1c1cccs1 ZINC001177920293 908804177 /nfs/dbraw/zinc/80/41/77/908804177.db2.gz RTNQRZOMXLFLQX-RXVVDRJESA-N 2 1 383.561 3.813 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1c1cccs1 ZINC001177920293 908804204 /nfs/dbraw/zinc/80/42/04/908804204.db2.gz RTNQRZOMXLFLQX-RXVVDRJESA-N 2 1 383.561 3.813 20 0 GHADMP COCc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1 ZINC000266203580 909034376 /nfs/dbraw/zinc/03/43/76/909034376.db2.gz MBCIYXWPQRUXPW-UHFFFAOYSA-N 2 1 398.547 3.612 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC001178971182 909339428 /nfs/dbraw/zinc/33/94/28/909339428.db2.gz FGEWLWBYUZQYCA-NFBKMPQASA-N 2 1 398.522 3.994 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC001178971182 909339443 /nfs/dbraw/zinc/33/94/43/909339443.db2.gz FGEWLWBYUZQYCA-NFBKMPQASA-N 2 1 398.522 3.994 20 0 GHADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000637830467 909982956 /nfs/dbraw/zinc/98/29/56/909982956.db2.gz WTJPJHGVDOWMTR-DUXKGJEZSA-N 2 1 397.588 3.550 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@@H]2c2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000637887546 909995152 /nfs/dbraw/zinc/99/51/52/909995152.db2.gz WBAIDENGILXXGS-LJQANCHMSA-N 2 1 383.561 3.795 20 0 GHADMP CC(C)OCc1ccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000637943293 910009345 /nfs/dbraw/zinc/00/93/45/910009345.db2.gz OYVUDCGJBHEIPG-UHFFFAOYSA-N 2 1 395.547 3.934 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000246011382 910046393 /nfs/dbraw/zinc/04/63/93/910046393.db2.gz LAGSAOVWQWBRAA-UGKGYDQZSA-N 2 1 385.552 3.988 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268855969 910046611 /nfs/dbraw/zinc/04/66/11/910046611.db2.gz XPHPFYISIFLGRT-GOSISDBHSA-N 2 1 377.532 3.929 20 0 GHADMP C[NH+](C)Cc1ccc(C(N)=O)cc1N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638257934 910098857 /nfs/dbraw/zinc/09/88/57/910098857.db2.gz DCDCNQDNPXZKHK-REWPJTCUSA-N 2 1 392.547 3.627 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)n1 ZINC000269098666 910138661 /nfs/dbraw/zinc/13/86/61/910138661.db2.gz SMZRLAIYTJXZGO-AUSIDOKSSA-N 2 1 393.579 3.705 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)n1 ZINC000269098666 910138668 /nfs/dbraw/zinc/13/86/68/910138668.db2.gz SMZRLAIYTJXZGO-AUSIDOKSSA-N 2 1 393.579 3.705 20 0 GHADMP CC(=O)c1cc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000638399314 910146626 /nfs/dbraw/zinc/14/66/26/910146626.db2.gz VUWAMICPLYRTDQ-UHFFFAOYSA-N 2 1 379.504 3.520 20 0 GHADMP c1ccc([C@@H]2C[C@H](NCC3([NH+]4CCCC4)CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638558143 910187935 /nfs/dbraw/zinc/18/79/35/910187935.db2.gz NTIQHVBAGKRBLD-GGAORHGYSA-N 2 1 383.580 3.589 20 0 GHADMP Cc1nc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cs1 ZINC000269434594 910265048 /nfs/dbraw/zinc/26/50/48/910265048.db2.gz QMXAHEICHLPMFS-MRXNPFEDSA-N 2 1 389.565 3.792 20 0 GHADMP Cc1nc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cs1 ZINC000269434594 910265064 /nfs/dbraw/zinc/26/50/64/910265064.db2.gz QMXAHEICHLPMFS-MRXNPFEDSA-N 2 1 389.565 3.792 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)n(C)n1 ZINC000639122259 910324850 /nfs/dbraw/zinc/32/48/50/910324850.db2.gz CNAWKCIFXKRLDL-FUPPJEDESA-N 2 1 393.579 3.655 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)n(C)n1 ZINC000639122259 910324866 /nfs/dbraw/zinc/32/48/66/910324866.db2.gz CNAWKCIFXKRLDL-FUPPJEDESA-N 2 1 393.579 3.655 20 0 GHADMP c1n[nH]cc1[C@H]1CCC[NH+]1CC(C[N@H+]1CCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000639777117 910657284 /nfs/dbraw/zinc/65/72/84/910657284.db2.gz SKOWEYOGJAMYOT-DHIUTWEWSA-N 2 1 390.535 3.891 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(F)c(Cl)c1Cl ZINC001181484855 910814924 /nfs/dbraw/zinc/81/49/24/910814924.db2.gz FGSLDTBLAGATLB-OAHLLOKOSA-N 2 1 376.347 3.980 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000271532781 910947008 /nfs/dbraw/zinc/94/70/08/910947008.db2.gz PTVXYWGDVHXXHG-CRYYWNKWSA-N 2 1 388.552 3.921 20 0 GHADMP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001181841107 911038163 /nfs/dbraw/zinc/03/81/63/911038163.db2.gz VWPZXRGLVPLKBW-DHIUTWEWSA-N 2 1 397.538 3.580 20 0 GHADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001181841107 911038179 /nfs/dbraw/zinc/03/81/79/911038179.db2.gz VWPZXRGLVPLKBW-DHIUTWEWSA-N 2 1 397.538 3.580 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000640607918 911083346 /nfs/dbraw/zinc/08/33/46/911083346.db2.gz DOATXHIHJAQFPG-PGRDOPGGSA-N 2 1 395.551 3.660 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000640607918 911083360 /nfs/dbraw/zinc/08/33/60/911083360.db2.gz DOATXHIHJAQFPG-PGRDOPGGSA-N 2 1 395.551 3.660 20 0 GHADMP Cc1cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000640647048 911097573 /nfs/dbraw/zinc/09/75/73/911097573.db2.gz JMGLEJQCYQVHON-UHFFFAOYSA-N 2 1 378.586 3.717 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC001182172226 911194729 /nfs/dbraw/zinc/19/47/29/911194729.db2.gz AOOPXEAGZJIDAM-GJZGRUSLSA-N 2 1 388.337 3.931 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC001182172226 911194744 /nfs/dbraw/zinc/19/47/44/911194744.db2.gz AOOPXEAGZJIDAM-GJZGRUSLSA-N 2 1 388.337 3.931 20 0 GHADMP Cn1c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)nc2ccc(Cl)cc21 ZINC000283823141 911662537 /nfs/dbraw/zinc/66/25/37/911662537.db2.gz DBTNIEYTGXTRNE-UHFFFAOYSA-N 2 1 398.938 3.990 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182471464 911790575 /nfs/dbraw/zinc/79/05/75/911790575.db2.gz XZZLKOLNAYVUKO-GGAORHGYSA-N 2 1 381.568 3.853 20 0 GHADMP C[C@H]1CC[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001182543701 911865144 /nfs/dbraw/zinc/86/51/44/911865144.db2.gz MEALHFKTKVRQQV-KTJVCJKDSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1CC[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001182543701 911865153 /nfs/dbraw/zinc/86/51/53/911865153.db2.gz MEALHFKTKVRQQV-KTJVCJKDSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1CC[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001182543701 911865162 /nfs/dbraw/zinc/86/51/62/911865162.db2.gz MEALHFKTKVRQQV-KTJVCJKDSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC001182543701 911865173 /nfs/dbraw/zinc/86/51/73/911865173.db2.gz MEALHFKTKVRQQV-KTJVCJKDSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC001182543701 911865176 /nfs/dbraw/zinc/86/51/76/911865176.db2.gz MEALHFKTKVRQQV-KTJVCJKDSA-N 2 1 377.576 3.975 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001182826074 912069693 /nfs/dbraw/zinc/06/96/93/912069693.db2.gz NYPCCWUBNBRPPM-FQEVSTJZSA-N 2 1 379.331 3.892 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)c1 ZINC000646946346 914944555 /nfs/dbraw/zinc/94/45/55/914944555.db2.gz RUBSOQWFKWXXFJ-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)c1 ZINC000646946346 914944573 /nfs/dbraw/zinc/94/45/73/914944573.db2.gz RUBSOQWFKWXXFJ-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc1 ZINC001187293673 915144714 /nfs/dbraw/zinc/14/47/14/915144714.db2.gz OEKGLQBNDVRYRH-UHFFFAOYSA-N 2 1 383.511 3.624 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647479920 915290245 /nfs/dbraw/zinc/29/02/45/915290245.db2.gz YBNPCDMKVBTJRY-NFBKMPQASA-N 2 1 393.531 3.912 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647479920 915290254 /nfs/dbraw/zinc/29/02/54/915290254.db2.gz YBNPCDMKVBTJRY-NFBKMPQASA-N 2 1 393.531 3.912 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)n1 ZINC000647479510 915292656 /nfs/dbraw/zinc/29/26/56/915292656.db2.gz JSMLYEBGPCXLKQ-WMZOPIPTSA-N 2 1 378.442 3.855 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)C2=O)cc1 ZINC000303884566 915296867 /nfs/dbraw/zinc/29/68/67/915296867.db2.gz JMKLYEYUCIHJIE-DEOSSOPVSA-N 2 1 391.559 3.944 20 0 GHADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@]3(C)COc4ccccc4[C@@H]3[N@@H+]2C)CC1 ZINC001187637910 915404990 /nfs/dbraw/zinc/40/49/90/915404990.db2.gz YNDQHAGBMDZSAE-QEYZDPKDSA-N 2 1 399.579 3.600 20 0 GHADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@]3(C)COc4ccccc4[C@@H]3[N@H+]2C)CC1 ZINC001187637910 915404998 /nfs/dbraw/zinc/40/49/98/915404998.db2.gz YNDQHAGBMDZSAE-QEYZDPKDSA-N 2 1 399.579 3.600 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976732 915457750 /nfs/dbraw/zinc/45/77/50/915457750.db2.gz STJAUMQDHHUCHO-CVEARBPZSA-N 2 1 394.441 3.967 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978479 915460579 /nfs/dbraw/zinc/46/05/79/915460579.db2.gz SSPGXLBKWIUNNE-SZMVWBNQSA-N 2 1 397.519 3.674 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978479 915460591 /nfs/dbraw/zinc/46/05/91/915460591.db2.gz SSPGXLBKWIUNNE-SZMVWBNQSA-N 2 1 397.519 3.674 20 0 GHADMP CC1(C)C[N@@H+](C[C@H]2CNc3ccnn3C2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000648039843 915493361 /nfs/dbraw/zinc/49/33/61/915493361.db2.gz WTTYABGLNYEIRQ-NFBKMPQASA-N 2 1 393.579 3.547 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000648168071 915531471 /nfs/dbraw/zinc/53/14/71/915531471.db2.gz RTGQATBLXIRTBU-MMOPVJDHSA-N 2 1 385.939 3.757 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000648755971 915865017 /nfs/dbraw/zinc/86/50/17/915865017.db2.gz FLAFEYATNLBCNA-INIZCTEOSA-N 2 1 386.565 3.893 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC001188300687 915875109 /nfs/dbraw/zinc/87/51/09/915875109.db2.gz JXCBZZHTOUXCNE-HSZRJFAPSA-N 2 1 377.532 3.625 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2)CC1 ZINC001188300687 915875124 /nfs/dbraw/zinc/87/51/24/915875124.db2.gz JXCBZZHTOUXCNE-HSZRJFAPSA-N 2 1 377.532 3.625 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@]1(C)CCc2ccccc21 ZINC000648814897 915890055 /nfs/dbraw/zinc/89/00/55/915890055.db2.gz XPYNWCKAELEPMT-VWLOTQADSA-N 2 1 397.607 3.545 20 0 GHADMP CCc1nccn1[C@@H](C)CC(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649063900 916006237 /nfs/dbraw/zinc/00/62/37/916006237.db2.gz NCJFGVFOMHJGHT-FPOVZHCZSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649063900 916006257 /nfs/dbraw/zinc/00/62/57/916006257.db2.gz NCJFGVFOMHJGHT-FPOVZHCZSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649063900 916006275 /nfs/dbraw/zinc/00/62/75/916006275.db2.gz NCJFGVFOMHJGHT-FPOVZHCZSA-N 2 1 382.552 3.908 20 0 GHADMP CN(C)C(=O)c1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000293181043 916050801 /nfs/dbraw/zinc/05/08/01/916050801.db2.gz DPRRQDVWDIPSKN-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP CC[NH+](Cc1cc(C[N@@H+](CC)C[C@@H]2CCOC2)ccc1F)C[C@H]1CCOC1 ZINC000649249424 916082326 /nfs/dbraw/zinc/08/23/26/916082326.db2.gz MGTFEQJOFHILJS-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)C[C@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000649249424 916082348 /nfs/dbraw/zinc/08/23/48/916082348.db2.gz MGTFEQJOFHILJS-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)C[C@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000649249424 916082364 /nfs/dbraw/zinc/08/23/64/916082364.db2.gz MGTFEQJOFHILJS-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP CCO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OCC)[C@@H](C)C3)c2)C[C@H]1C ZINC000649992120 916603997 /nfs/dbraw/zinc/60/39/97/916603997.db2.gz HHNICJMLEICWRY-PVTAMDAMSA-N 2 1 389.584 3.575 20 0 GHADMP CCO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OCC)[C@@H](C)C3)c2)C[C@H]1C ZINC000649992120 916604007 /nfs/dbraw/zinc/60/40/07/916604007.db2.gz HHNICJMLEICWRY-PVTAMDAMSA-N 2 1 389.584 3.575 20 0 GHADMP CCO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OCC)[C@@H](C)C3)c2)C[C@H]1C ZINC000649992120 916604014 /nfs/dbraw/zinc/60/40/14/916604014.db2.gz HHNICJMLEICWRY-PVTAMDAMSA-N 2 1 389.584 3.575 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000650707270 917243974 /nfs/dbraw/zinc/24/39/74/917243974.db2.gz BZDHDRGOTVARBC-CSODHUTKSA-N 2 1 377.960 3.659 20 0 GHADMP CN1c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446060 917356126 /nfs/dbraw/zinc/35/61/26/917356126.db2.gz YWSLMSMPSJHOGP-VWLOTQADSA-N 2 1 389.543 3.694 20 0 GHADMP CN1c2ccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446060 917356134 /nfs/dbraw/zinc/35/61/34/917356134.db2.gz YWSLMSMPSJHOGP-VWLOTQADSA-N 2 1 389.543 3.694 20 0 GHADMP CN1c2ccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446060 917356146 /nfs/dbraw/zinc/35/61/46/917356146.db2.gz YWSLMSMPSJHOGP-VWLOTQADSA-N 2 1 389.543 3.694 20 0 GHADMP CN1c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446060 917356152 /nfs/dbraw/zinc/35/61/52/917356152.db2.gz YWSLMSMPSJHOGP-VWLOTQADSA-N 2 1 389.543 3.694 20 0 GHADMP Clc1cccc(-n2ccnc2)c1CNCc1ccccc1N1CCOCC1 ZINC000295600657 917375695 /nfs/dbraw/zinc/37/56/95/917375695.db2.gz CVEPXKNDIWDUMY-UHFFFAOYSA-N 2 1 382.895 3.652 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001190570570 917416189 /nfs/dbraw/zinc/41/61/89/917416189.db2.gz FRHIHTGLWFVQES-XMMPIXPASA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001190570570 917416194 /nfs/dbraw/zinc/41/61/94/917416194.db2.gz FRHIHTGLWFVQES-XMMPIXPASA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001190570570 917416205 /nfs/dbraw/zinc/41/62/05/917416205.db2.gz FRHIHTGLWFVQES-XMMPIXPASA-N 2 1 391.559 3.519 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000651211720 917517476 /nfs/dbraw/zinc/51/74/76/917517476.db2.gz WLOBSOWHGMSTGZ-PWRODBHTSA-N 2 1 377.523 3.749 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000652125121 917808143 /nfs/dbraw/zinc/80/81/43/917808143.db2.gz DAGCCINEVDXJCB-IBGZPJMESA-N 2 1 394.563 3.780 20 0 GHADMP C[N@@H+](Cc1ccc(I)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001191174193 917808607 /nfs/dbraw/zinc/80/86/07/917808607.db2.gz MZEJASSSSAJLMC-CYBMUJFWSA-N 2 1 392.712 3.718 20 0 GHADMP C[N@H+](Cc1ccc(I)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001191174193 917808616 /nfs/dbraw/zinc/80/86/16/917808616.db2.gz MZEJASSSSAJLMC-CYBMUJFWSA-N 2 1 392.712 3.718 20 0 GHADMP C[NH+](Cc1ccc(I)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001191174193 917808629 /nfs/dbraw/zinc/80/86/29/917808629.db2.gz MZEJASSSSAJLMC-CYBMUJFWSA-N 2 1 392.712 3.718 20 0 GHADMP C[NH+](Cc1ccc(I)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001191174193 917808640 /nfs/dbraw/zinc/80/86/40/917808640.db2.gz MZEJASSSSAJLMC-CYBMUJFWSA-N 2 1 392.712 3.718 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000652346575 917877244 /nfs/dbraw/zinc/87/72/44/917877244.db2.gz ARCOKTLWIBEJBZ-MDYRTPRTSA-N 2 1 375.900 3.713 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000652361964 917880872 /nfs/dbraw/zinc/88/08/72/917880872.db2.gz UTFAIJKPWCIMTK-NEWSRXKRSA-N 2 1 375.900 3.856 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000652610252 917950727 /nfs/dbraw/zinc/95/07/27/917950727.db2.gz QUDYFCZBZGLAHE-IPMKNSEASA-N 2 1 380.536 3.921 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653149123 918142065 /nfs/dbraw/zinc/14/20/65/918142065.db2.gz XNNYBZAZBACENV-QGZVFWFLSA-N 2 1 397.485 3.518 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000653214908 918181162 /nfs/dbraw/zinc/18/11/62/918181162.db2.gz HGEFAWBTSCWVEW-GOSISDBHSA-N 2 1 380.536 3.529 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363548160 918398351 /nfs/dbraw/zinc/39/83/51/918398351.db2.gz WTQWAZMZGRLUBO-FVQBIDKESA-N 2 1 385.430 3.519 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3CCC(C)C)cc2)CC1 ZINC001192174231 918523356 /nfs/dbraw/zinc/52/33/56/918523356.db2.gz PRVAQLHTOHYYHV-NRFANRHFSA-N 2 1 386.584 3.668 20 0 GHADMP COC[C@]1(C)CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@](C)(COC)C3)c2)C1 ZINC000296803657 918764743 /nfs/dbraw/zinc/76/47/43/918764743.db2.gz RBUHXXDSLPRXHX-YADHBBJMSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@]1(C)CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000296803657 918764952 /nfs/dbraw/zinc/76/49/52/918764952.db2.gz RBUHXXDSLPRXHX-YADHBBJMSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@]1(C)CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000296803657 918765076 /nfs/dbraw/zinc/76/50/76/918765076.db2.gz RBUHXXDSLPRXHX-YADHBBJMSA-N 2 1 378.532 3.543 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654446701 919132632 /nfs/dbraw/zinc/13/26/32/919132632.db2.gz SCYZTHJWLMAVLW-COPCDDAFSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654446702 919132776 /nfs/dbraw/zinc/13/27/76/919132776.db2.gz SCYZTHJWLMAVLW-QIJUGHKUSA-N 2 1 384.568 3.528 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380955236 919327662 /nfs/dbraw/zinc/32/76/62/919327662.db2.gz UCCLHRBFPXYYRU-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@H](C)[N@@H+](CCc1cncn1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000297597035 919476503 /nfs/dbraw/zinc/47/65/03/919476503.db2.gz FPGLSCWMWSVPDR-AWEZNQCLSA-N 2 1 382.430 3.721 20 0 GHADMP CCOc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(Cl)c1O ZINC000297615829 919497345 /nfs/dbraw/zinc/49/73/45/919497345.db2.gz KXXJHXKWGRYEDV-UHFFFAOYSA-N 2 1 390.915 3.610 20 0 GHADMP C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382041250 919717648 /nfs/dbraw/zinc/71/76/48/919717648.db2.gz INSYWPJOGMVSPQ-ICSRJNTNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1 ZINC000365410254 920752565 /nfs/dbraw/zinc/75/25/65/920752565.db2.gz OCOQBCNOUPOLAY-GOSISDBHSA-N 2 1 390.535 3.541 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1)CC1CC1 ZINC000801526606 921099422 /nfs/dbraw/zinc/09/94/22/921099422.db2.gz SBYHALBCGBFJNC-UHFFFAOYSA-N 2 1 379.980 3.530 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1)CC1CC1 ZINC000801526606 921099430 /nfs/dbraw/zinc/09/94/30/921099430.db2.gz SBYHALBCGBFJNC-UHFFFAOYSA-N 2 1 379.980 3.530 20 0 GHADMP CNc1ccc(C)cc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000902184337 921962204 /nfs/dbraw/zinc/96/22/04/921962204.db2.gz PUWPLMFNKBPVHS-UHFFFAOYSA-N 2 1 397.563 3.816 20 0 GHADMP COc1ccc(F)cc1-c1cncc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000902774704 922489486 /nfs/dbraw/zinc/48/94/86/922489486.db2.gz GIRKWPUJRKUVMZ-QNBRMCRTSA-N 2 1 398.482 3.768 20 0 GHADMP COc1ccc(F)cc1-c1cncc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000902774704 922489496 /nfs/dbraw/zinc/48/94/96/922489496.db2.gz GIRKWPUJRKUVMZ-QNBRMCRTSA-N 2 1 398.482 3.768 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3COc4ccccc4C3)CC2)oc1C ZINC000902799932 922504149 /nfs/dbraw/zinc/50/41/49/922504149.db2.gz HYNAIQKQXDBDNC-UTKZUKDTSA-N 2 1 383.536 3.733 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccc1OCC(F)(F)F ZINC000903066689 922742851 /nfs/dbraw/zinc/74/28/51/922742851.db2.gz NSDGOEZTZITKAJ-ZXFUBFMLSA-N 2 1 384.442 3.884 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903100128 922772235 /nfs/dbraw/zinc/77/22/35/922772235.db2.gz QFLRXVAQECDPIC-ZDUSSCGKSA-N 2 1 389.443 3.616 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903218753 922863876 /nfs/dbraw/zinc/86/38/76/922863876.db2.gz DBKOYFRNOPDFKW-DUZACMNTSA-N 2 1 399.526 3.626 20 0 GHADMP Cc1cc(C)cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000369461937 923352013 /nfs/dbraw/zinc/35/20/13/923352013.db2.gz GTSLXHRRVHIFDP-UHFFFAOYSA-N 2 1 386.584 3.963 20 0 GHADMP FC(F)(F)c1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903955533 923433094 /nfs/dbraw/zinc/43/30/94/923433094.db2.gz UMDZUDLNXNGSHV-NSHDSACASA-N 2 1 387.190 3.802 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000748847466 923859301 /nfs/dbraw/zinc/85/93/01/923859301.db2.gz YHPQWOFWCIUGBZ-FQEVSTJZSA-N 2 1 375.601 3.802 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@@H]1C ZINC000748958112 923955355 /nfs/dbraw/zinc/95/53/55/923955355.db2.gz DGUNUPRDELLYNI-RXVVDRJESA-N 2 1 378.605 3.545 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc2c(s1)CCC2 ZINC000370215520 923962880 /nfs/dbraw/zinc/96/28/80/923962880.db2.gz KPTYTVLKAFIQQD-UHFFFAOYSA-N 2 1 389.609 3.505 20 0 GHADMP Cc1ncsc1CC[N@H+](C)[C@@H]1CCC[NH+](CCc2scnc2C)CC1 ZINC000371098461 924425371 /nfs/dbraw/zinc/42/53/71/924425371.db2.gz HCSROMPLXHVPDA-QGZVFWFLSA-N 2 1 378.611 3.788 20 0 GHADMP Cc1ncsc1CC[NH+](C)[C@@H]1CCC[N@H+](CCc2scnc2C)CC1 ZINC000371098461 924425376 /nfs/dbraw/zinc/42/53/76/924425376.db2.gz HCSROMPLXHVPDA-QGZVFWFLSA-N 2 1 378.611 3.788 20 0 GHADMP Cc1ncsc1CC[NH+](C)[C@@H]1CCC[N@@H+](CCc2scnc2C)CC1 ZINC000371098461 924425382 /nfs/dbraw/zinc/42/53/82/924425382.db2.gz HCSROMPLXHVPDA-QGZVFWFLSA-N 2 1 378.611 3.788 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806745 924505603 /nfs/dbraw/zinc/50/56/03/924505603.db2.gz MGGTVGGPTVHFJK-PMVMPFDFSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806745 924505607 /nfs/dbraw/zinc/50/56/07/924505607.db2.gz MGGTVGGPTVHFJK-PMVMPFDFSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806745 924505611 /nfs/dbraw/zinc/50/56/11/924505611.db2.gz MGGTVGGPTVHFJK-PMVMPFDFSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806745 924505613 /nfs/dbraw/zinc/50/56/13/924505613.db2.gz MGGTVGGPTVHFJK-PMVMPFDFSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806745 924505617 /nfs/dbraw/zinc/50/56/17/924505617.db2.gz MGGTVGGPTVHFJK-PMVMPFDFSA-N 2 1 387.612 3.766 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2COc4ccccc4O2)CC3)cc1 ZINC000677819736 924509634 /nfs/dbraw/zinc/50/96/34/924509634.db2.gz OJOWYQCXEAFPQL-OAQYLSRUSA-N 2 1 378.516 3.815 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nc(-c4ccccn4)no2)CC3)cc1 ZINC000677819760 924509663 /nfs/dbraw/zinc/50/96/63/924509663.db2.gz QDBSWVDPCNALDG-UHFFFAOYSA-N 2 1 389.503 3.620 20 0 GHADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nc(-c4ccccn4)no2)CC3)cc1 ZINC000677819760 924509670 /nfs/dbraw/zinc/50/96/70/924509670.db2.gz QDBSWVDPCNALDG-UHFFFAOYSA-N 2 1 389.503 3.620 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000678020400 924585375 /nfs/dbraw/zinc/58/53/75/924585375.db2.gz OHQVBGVKUVOHCX-RBUKOAKNSA-N 2 1 383.536 3.856 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000678020400 924585379 /nfs/dbraw/zinc/58/53/79/924585379.db2.gz OHQVBGVKUVOHCX-RBUKOAKNSA-N 2 1 383.536 3.856 20 0 GHADMP Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678193680 924655290 /nfs/dbraw/zinc/65/52/90/924655290.db2.gz OTXPDXQXFBIFIO-JOCHJYFZSA-N 2 1 378.520 3.851 20 0 GHADMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678193680 924655298 /nfs/dbraw/zinc/65/52/98/924655298.db2.gz OTXPDXQXFBIFIO-JOCHJYFZSA-N 2 1 378.520 3.851 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000678288408 924708936 /nfs/dbraw/zinc/70/89/36/924708936.db2.gz QGJWKSAEOYYERH-QFIPXVFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000678288408 924708946 /nfs/dbraw/zinc/70/89/46/924708946.db2.gz QGJWKSAEOYYERH-QFIPXVFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000678288408 924708951 /nfs/dbraw/zinc/70/89/51/924708951.db2.gz QGJWKSAEOYYERH-QFIPXVFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)c2)CC1 ZINC000678322092 924723896 /nfs/dbraw/zinc/72/38/96/924723896.db2.gz DVKCHEXGAWNODX-QFIPXVFZSA-N 2 1 384.568 3.567 20 0 GHADMP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400096 925124455 /nfs/dbraw/zinc/12/44/55/925124455.db2.gz KWMKVYKADOJKKT-MALNDZBISA-N 2 1 381.564 3.705 20 0 GHADMP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400096 925124458 /nfs/dbraw/zinc/12/44/58/925124458.db2.gz KWMKVYKADOJKKT-MALNDZBISA-N 2 1 381.564 3.705 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(N2CCCC2)n1 ZINC000679724525 925248261 /nfs/dbraw/zinc/24/82/61/925248261.db2.gz ZBFXPSKGGMWPQK-CVDCTZTESA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(N2CCCC2)n1 ZINC000679724525 925248271 /nfs/dbraw/zinc/24/82/71/925248271.db2.gz ZBFXPSKGGMWPQK-CVDCTZTESA-N 2 1 378.564 3.990 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410336000 925541383 /nfs/dbraw/zinc/54/13/83/925541383.db2.gz BNEXDMFNWLHKFC-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CCCC[C@@H]2C)cc1 ZINC000410336000 925541385 /nfs/dbraw/zinc/54/13/85/925541385.db2.gz BNEXDMFNWLHKFC-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CCCC[C@@H]2C)cc1 ZINC000410336000 925541389 /nfs/dbraw/zinc/54/13/89/925541389.db2.gz BNEXDMFNWLHKFC-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc2ncccc21 ZINC000372585429 925558213 /nfs/dbraw/zinc/55/82/13/925558213.db2.gz QMPKWKWRIUHMPC-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP C[C@H]1C[NH+](Cc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)cc2)C[C@H](C)O1 ZINC000680775819 925603625 /nfs/dbraw/zinc/60/36/25/925603625.db2.gz HQYVLLTXKPAOHH-ZIAAKBQJSA-N 2 1 396.535 3.686 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000682107047 926014118 /nfs/dbraw/zinc/01/41/18/926014118.db2.gz CPHLOAARUYUESN-NRFANRHFSA-N 2 1 380.536 3.529 20 0 GHADMP Cc1nsc(N2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000411298871 926292146 /nfs/dbraw/zinc/29/21/46/926292146.db2.gz UBXQEAZCGFJJBI-UHFFFAOYSA-N 2 1 385.581 3.545 20 0 GHADMP C[C@@]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000411383310 926345076 /nfs/dbraw/zinc/34/50/76/926345076.db2.gz DHYGKMNCNWXGIK-QFIPXVFZSA-N 2 1 385.939 3.816 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000726236693 926602943 /nfs/dbraw/zinc/60/29/43/926602943.db2.gz QMJSUBSRPQIJIZ-IBGZPJMESA-N 2 1 392.632 3.841 20 0 GHADMP CN(c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000749209508 927002182 /nfs/dbraw/zinc/00/21/82/927002182.db2.gz ZSVMAOJPDHTUON-JOCHJYFZSA-N 2 1 384.568 3.563 20 0 GHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751080449 928018548 /nfs/dbraw/zinc/01/85/48/928018548.db2.gz NINPRUVAYXITHQ-UHFFFAOYSA-N 2 1 398.595 3.531 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751093749 928025498 /nfs/dbraw/zinc/02/54/98/928025498.db2.gz UDLZMOFNPJOLBB-XPPIMPSXSA-N 2 1 398.595 3.747 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC/C=C/c1ccccc1 ZINC000751098026 928030003 /nfs/dbraw/zinc/03/00/03/928030003.db2.gz SARJDLGPJYNIQF-RMKNXTFCSA-N 2 1 398.595 3.538 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000544264684 928997350 /nfs/dbraw/zinc/99/73/50/928997350.db2.gz AVGZFGQIYPXMFO-OAHLLOKOSA-N 2 1 376.570 3.503 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000544264684 928997363 /nfs/dbraw/zinc/99/73/63/928997363.db2.gz AVGZFGQIYPXMFO-OAHLLOKOSA-N 2 1 376.570 3.503 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)sc2C1 ZINC000544264684 928997371 /nfs/dbraw/zinc/99/73/71/928997371.db2.gz AVGZFGQIYPXMFO-OAHLLOKOSA-N 2 1 376.570 3.503 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)sc2C1 ZINC000544264684 928997380 /nfs/dbraw/zinc/99/73/80/928997380.db2.gz AVGZFGQIYPXMFO-OAHLLOKOSA-N 2 1 376.570 3.503 20 0 GHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000467376887 929016322 /nfs/dbraw/zinc/01/63/22/929016322.db2.gz LMMYQPWVEMGWDP-OPAMFIHVSA-N 2 1 384.495 3.832 20 0 GHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000467376887 929016335 /nfs/dbraw/zinc/01/63/35/929016335.db2.gz LMMYQPWVEMGWDP-OPAMFIHVSA-N 2 1 384.495 3.832 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857696 929055326 /nfs/dbraw/zinc/05/53/26/929055326.db2.gz UCPXGNAEVVOKPF-VQTJNVASSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857696 929055332 /nfs/dbraw/zinc/05/53/32/929055332.db2.gz UCPXGNAEVVOKPF-VQTJNVASSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857696 929055342 /nfs/dbraw/zinc/05/53/42/929055342.db2.gz UCPXGNAEVVOKPF-VQTJNVASSA-N 2 1 386.584 3.668 20 0 GHADMP CN(CCC[NH+]1CCCC1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000467670910 929289539 /nfs/dbraw/zinc/28/95/39/929289539.db2.gz DQDWSZHTFRTXGN-UHFFFAOYSA-N 2 1 379.548 3.877 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000467854199 929509847 /nfs/dbraw/zinc/50/98/47/929509847.db2.gz VMFQPGHGFHKCED-JXFKEZNVSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000467854199 929509852 /nfs/dbraw/zinc/50/98/52/929509852.db2.gz VMFQPGHGFHKCED-JXFKEZNVSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000753851234 929562553 /nfs/dbraw/zinc/56/25/53/929562553.db2.gz SXPLQVBXXIFMPY-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@@H](C)C1 ZINC000469208852 929691280 /nfs/dbraw/zinc/69/12/80/929691280.db2.gz XAAMBGIXXZIAAE-WMZOPIPTSA-N 2 1 385.508 3.711 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)[C@@H](C)C1 ZINC000469208852 929691289 /nfs/dbraw/zinc/69/12/89/929691289.db2.gz XAAMBGIXXZIAAE-WMZOPIPTSA-N 2 1 385.508 3.711 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469407520 929856486 /nfs/dbraw/zinc/85/64/86/929856486.db2.gz HABRHNLRCSYBBQ-UHFFFAOYSA-N 2 1 391.466 3.591 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000469755847 930138204 /nfs/dbraw/zinc/13/82/04/930138204.db2.gz CLGPDAACANOVKY-QZTJIDSGSA-N 2 1 383.511 3.819 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469761506 930143484 /nfs/dbraw/zinc/14/34/84/930143484.db2.gz BELQTWOGGOUUOU-NJDAHSKKSA-N 2 1 393.575 3.952 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763468 930145771 /nfs/dbraw/zinc/14/57/71/930145771.db2.gz JTPXEMQCDBZXHU-YRWFTTLQSA-N 2 1 399.501 3.532 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763468 930145773 /nfs/dbraw/zinc/14/57/73/930145773.db2.gz JTPXEMQCDBZXHU-YRWFTTLQSA-N 2 1 399.501 3.532 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000759517871 930391711 /nfs/dbraw/zinc/39/17/11/930391711.db2.gz GIUHOKKLUJUYTQ-FCHUYYIVSA-N 2 1 386.584 3.777 20 0 GHADMP C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780879308 930625378 /nfs/dbraw/zinc/62/53/78/930625378.db2.gz PZXPGTCAKUHVQO-UYAOXDASSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504533 931079146 /nfs/dbraw/zinc/07/91/46/931079146.db2.gz NDAVYEDXCZJKKM-NZQKXSOJSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547504533 931079158 /nfs/dbraw/zinc/07/91/58/931079158.db2.gz NDAVYEDXCZJKKM-NZQKXSOJSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504533 931079170 /nfs/dbraw/zinc/07/91/70/931079170.db2.gz NDAVYEDXCZJKKM-NZQKXSOJSA-N 3 1 381.564 3.627 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000471017733 931098321 /nfs/dbraw/zinc/09/83/21/931098321.db2.gz JPHPZVLECMRFTH-SZPZYZBQSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000471017733 931098327 /nfs/dbraw/zinc/09/83/27/931098327.db2.gz JPHPZVLECMRFTH-SZPZYZBQSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000471017733 931098399 /nfs/dbraw/zinc/09/83/99/931098399.db2.gz JPHPZVLECMRFTH-SZPZYZBQSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000471017733 931098407 /nfs/dbraw/zinc/09/84/07/931098407.db2.gz JPHPZVLECMRFTH-SZPZYZBQSA-N 2 1 388.515 3.733 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000557259024 931304781 /nfs/dbraw/zinc/30/47/81/931304781.db2.gz HTLVQNCAWCKYJO-RXVVDRJESA-N 2 1 381.520 3.667 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000557259024 931304793 /nfs/dbraw/zinc/30/47/93/931304793.db2.gz HTLVQNCAWCKYJO-RXVVDRJESA-N 2 1 381.520 3.667 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)c2cccs2)CC1 ZINC000782755608 931325769 /nfs/dbraw/zinc/32/57/69/931325769.db2.gz UKRVBWCFCOGAGW-JTHBVZDNSA-N 2 1 399.604 3.794 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)cc2)CC1 ZINC000782761015 931328229 /nfs/dbraw/zinc/32/82/29/931328229.db2.gz XAUYXIKFUBMNTM-VWLOTQADSA-N 2 1 393.575 3.692 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000557330316 931348758 /nfs/dbraw/zinc/34/87/58/931348758.db2.gz ZAHBVBNXQCQMDE-FQEVSTJZSA-N 2 1 377.960 3.714 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000557611925 931573257 /nfs/dbraw/zinc/57/32/57/931573257.db2.gz VHEXYDNOBXADNE-ZCYQVOJMSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557611925 931573260 /nfs/dbraw/zinc/57/32/60/931573260.db2.gz VHEXYDNOBXADNE-ZCYQVOJMSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557611925 931573265 /nfs/dbraw/zinc/57/32/65/931573265.db2.gz VHEXYDNOBXADNE-ZCYQVOJMSA-N 2 1 395.591 3.908 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)C[C@H]3c3ccco3)CC2)CC1 ZINC000557634525 931585868 /nfs/dbraw/zinc/58/58/68/931585868.db2.gz HXTMCPVWLVNNCC-NQIIRXRSSA-N 2 1 387.568 3.776 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC2)cs1 ZINC000925032233 931619141 /nfs/dbraw/zinc/61/91/41/931619141.db2.gz SCSPNYDGLNWFQZ-WIYYLYMNSA-N 2 1 377.598 3.712 20 0 GHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000796758511 932056181 /nfs/dbraw/zinc/05/61/81/932056181.db2.gz DHJMTJLXMRYFIC-DNQXCXABSA-N 2 1 395.547 3.607 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926128029 932057907 /nfs/dbraw/zinc/05/79/07/932057907.db2.gz YAMLEMCJORYEBN-RXVVDRJESA-N 2 1 385.939 3.859 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926128029 932057909 /nfs/dbraw/zinc/05/79/09/932057909.db2.gz YAMLEMCJORYEBN-RXVVDRJESA-N 2 1 385.939 3.859 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)C[C@H]1C ZINC000796857115 932089927 /nfs/dbraw/zinc/08/99/27/932089927.db2.gz ZURPPVHYKIUEBX-KGVIQGDOSA-N 2 1 382.552 3.586 20 0 GHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCc4[nH]ncc43)cc2)C[C@H]1C ZINC000796857115 932089937 /nfs/dbraw/zinc/08/99/37/932089937.db2.gz ZURPPVHYKIUEBX-KGVIQGDOSA-N 2 1 382.552 3.586 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCc4[nH]ncc43)cc2)C[C@H]1C ZINC000796857115 932089945 /nfs/dbraw/zinc/08/99/45/932089945.db2.gz ZURPPVHYKIUEBX-KGVIQGDOSA-N 2 1 382.552 3.586 20 0 GHADMP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000926877896 932333796 /nfs/dbraw/zinc/33/37/96/932333796.db2.gz JVINZZDIWAGOJJ-LBDKCUJNSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000926877896 932333805 /nfs/dbraw/zinc/33/38/05/932333805.db2.gz JVINZZDIWAGOJJ-LBDKCUJNSA-N 2 1 390.593 3.548 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879949 932334531 /nfs/dbraw/zinc/33/45/31/932334531.db2.gz MZOQXHFSQYDQJS-NXQUOZRTSA-N 2 1 376.488 3.897 20 0 GHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2nc3c(s2)COCC3)ccc1OC ZINC000927118306 932419776 /nfs/dbraw/zinc/41/97/76/932419776.db2.gz CLGULCZMBTXQPD-HNNXBMFYSA-N 2 1 389.565 3.917 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000559268286 932567256 /nfs/dbraw/zinc/56/72/56/932567256.db2.gz ZAQGDJQBLVONGC-WOJBJXKFSA-N 2 1 380.573 3.513 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482942 932665325 /nfs/dbraw/zinc/66/53/25/932665325.db2.gz PXFVQJYPDRRSBA-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798498819 932673556 /nfs/dbraw/zinc/67/35/56/932673556.db2.gz JGUNFXCICPNUGR-QHCPKHFHSA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498819 932673565 /nfs/dbraw/zinc/67/35/65/932673565.db2.gz JGUNFXCICPNUGR-QHCPKHFHSA-N 2 1 384.520 3.714 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000798934019 932821723 /nfs/dbraw/zinc/82/17/23/932821723.db2.gz BAKTZIZSWGTUCM-JPYJTQIMSA-N 2 1 377.536 3.909 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000798934019 932821730 /nfs/dbraw/zinc/82/17/30/932821730.db2.gz BAKTZIZSWGTUCM-JPYJTQIMSA-N 2 1 377.536 3.909 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000798946672 932831146 /nfs/dbraw/zinc/83/11/46/932831146.db2.gz INUSUQRUOHZNAR-QHCPKHFHSA-N 2 1 387.568 3.672 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000798946672 932831151 /nfs/dbraw/zinc/83/11/51/932831151.db2.gz INUSUQRUOHZNAR-QHCPKHFHSA-N 2 1 387.568 3.672 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000798956869 932839995 /nfs/dbraw/zinc/83/99/95/932839995.db2.gz FNVOQTDVJXUNPO-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000799177831 932898547 /nfs/dbraw/zinc/89/85/47/932898547.db2.gz GHHJJNHRJPHYLN-OAHLLOKOSA-N 2 1 387.351 3.541 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000560538244 933323396 /nfs/dbraw/zinc/32/33/96/933323396.db2.gz QOTNYRKVPPBRDZ-YTFSRNRJSA-N 2 1 392.547 3.820 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000560541954 933329158 /nfs/dbraw/zinc/32/91/58/933329158.db2.gz DAZJWJGXRAZPAG-UHFFFAOYSA-N 2 1 382.504 3.944 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561060509 933828221 /nfs/dbraw/zinc/82/82/21/933828221.db2.gz LVMIOJGWVVOPON-UXHICEINSA-N 2 1 383.561 3.523 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117672801 933978201 /nfs/dbraw/zinc/97/82/01/933978201.db2.gz UMWPUAPLKYGZDR-ZSJMHYJMSA-N 2 1 398.595 3.746 20 0 GHADMP CCN(Cc1cc(OC)c(O)c(OC)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561392260 934111770 /nfs/dbraw/zinc/11/17/70/934111770.db2.gz BNEFQKLUSLQSKP-IBGZPJMESA-N 2 1 384.520 3.753 20 0 GHADMP CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561392260 934111775 /nfs/dbraw/zinc/11/17/75/934111775.db2.gz BNEFQKLUSLQSKP-IBGZPJMESA-N 2 1 384.520 3.753 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561392260 934111781 /nfs/dbraw/zinc/11/17/81/934111781.db2.gz BNEFQKLUSLQSKP-IBGZPJMESA-N 2 1 384.520 3.753 20 0 GHADMP CC[NH+](Cc1cc(OC)c(O)c(OC)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561392260 934111789 /nfs/dbraw/zinc/11/17/89/934111789.db2.gz BNEFQKLUSLQSKP-IBGZPJMESA-N 2 1 384.520 3.753 20 0 GHADMP Cc1c(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001118275804 934125648 /nfs/dbraw/zinc/12/56/48/934125648.db2.gz ZXQUZAXXAAYSFO-OAQYLSRUSA-N 2 1 376.504 3.768 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@H]1c1ccc(F)cc1 ZINC001119501796 934361714 /nfs/dbraw/zinc/36/17/14/934361714.db2.gz GOBMBLVOMQAXJR-MDNUFGMLSA-N 2 1 395.522 3.810 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@H]1c1ccc(F)cc1 ZINC001119501796 934361725 /nfs/dbraw/zinc/36/17/25/934361725.db2.gz GOBMBLVOMQAXJR-MDNUFGMLSA-N 2 1 395.522 3.810 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@H]1c1ccc(F)cc1 ZINC001119501796 934361736 /nfs/dbraw/zinc/36/17/36/934361736.db2.gz GOBMBLVOMQAXJR-MDNUFGMLSA-N 2 1 395.522 3.810 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@H]1c1ccc(F)cc1 ZINC001119501796 934361749 /nfs/dbraw/zinc/36/17/49/934361749.db2.gz GOBMBLVOMQAXJR-MDNUFGMLSA-N 2 1 395.522 3.810 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001119987993 934431355 /nfs/dbraw/zinc/43/13/55/934431355.db2.gz DFPUVZBXNHSTKR-ZVZYQTTQSA-N 2 1 394.357 3.570 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000561786617 934452358 /nfs/dbraw/zinc/45/23/58/934452358.db2.gz VSKYUTRJOCCSEG-GOSISDBHSA-N 2 1 377.916 3.925 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561984513 934607075 /nfs/dbraw/zinc/60/70/75/934607075.db2.gz KBJAVOBVCVCRGZ-UYAOXDASSA-N 2 1 383.939 3.851 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000561984513 934607079 /nfs/dbraw/zinc/60/70/79/934607079.db2.gz KBJAVOBVCVCRGZ-UYAOXDASSA-N 2 1 383.939 3.851 20 0 GHADMP Cn1nccc1[C@H]1CCC[N@H+]1CCCCCC[NH+]1CCC[C@H]1c1ccnn1C ZINC000932262235 934863074 /nfs/dbraw/zinc/86/30/74/934863074.db2.gz VBUUDMSNGVYRCV-SZPZYZBQSA-N 2 1 384.572 3.688 20 0 GHADMP Cn1nccc1[C@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932262235 934863077 /nfs/dbraw/zinc/86/30/77/934863077.db2.gz VBUUDMSNGVYRCV-SZPZYZBQSA-N 2 1 384.572 3.688 20 0 GHADMP Cn1nccc1[C@H]1CCC[NH+]1CCCCCC[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932262235 934863079 /nfs/dbraw/zinc/86/30/79/934863079.db2.gz VBUUDMSNGVYRCV-SZPZYZBQSA-N 2 1 384.572 3.688 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001122964020 935044748 /nfs/dbraw/zinc/04/47/48/935044748.db2.gz QEFXOGTYAWEONA-NRFANRHFSA-N 2 1 390.487 3.725 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001122964020 935044755 /nfs/dbraw/zinc/04/47/55/935044755.db2.gz QEFXOGTYAWEONA-NRFANRHFSA-N 2 1 390.487 3.725 20 0 GHADMP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(Cl)n1 ZINC000829597865 935832774 /nfs/dbraw/zinc/83/27/74/935832774.db2.gz BOYJLQVPKFERAI-ZIFCJYIRSA-N 2 1 392.975 3.546 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC001220702329 1032071412 /nfs/dbraw/zinc/07/14/12/1032071412.db2.gz MTLPRPQCUFTTEE-FQEVSTJZSA-N 2 1 380.621 3.698 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)c2cccs2)CC1 ZINC001461003086 1069329667 /nfs/dbraw/zinc/32/96/67/1069329667.db2.gz IVOSHBUQBVMWMD-GSVIPDFHSA-N 2 1 391.625 3.754 20 0 GHADMP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001626111361 1014920894 /nfs/dbraw/zinc/92/08/94/1014920894.db2.gz JOILPAUGZWHELN-IIBYNOLFSA-N 2 1 385.939 3.506 20 0 GHADMP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC001626111361 1014920896 /nfs/dbraw/zinc/92/08/96/1014920896.db2.gz JOILPAUGZWHELN-IIBYNOLFSA-N 2 1 385.939 3.506 20 0 GHADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468024292 1015158540 /nfs/dbraw/zinc/15/85/40/1015158540.db2.gz KIVIKBJPTFJSNE-IRFCIJBXSA-N 2 1 386.584 3.535 20 0 GHADMP C[NH+](C)Cc1cc(-c2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)ccc1F ZINC000545027605 1015382056 /nfs/dbraw/zinc/38/20/56/1015382056.db2.gz XXIGLIWPXGYXOE-SFHVURJKSA-N 2 1 395.482 3.712 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000468284596 1015544745 /nfs/dbraw/zinc/54/47/45/1015544745.db2.gz BBKTWGJEPBMAQA-QUCCMNQESA-N 2 1 386.540 3.847 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000468284596 1015544758 /nfs/dbraw/zinc/54/47/58/1015544758.db2.gz BBKTWGJEPBMAQA-QUCCMNQESA-N 2 1 386.540 3.847 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)c1ccccc1 ZINC001220788950 1032123098 /nfs/dbraw/zinc/12/30/98/1032123098.db2.gz HMHAYEQNCIKESA-ZLNRFVROSA-N 2 1 394.563 3.712 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)c2)C1 ZINC000468426870 1015697837 /nfs/dbraw/zinc/69/78/37/1015697837.db2.gz HFGCCFFMKWOPGZ-TZRRMPRUSA-N 2 1 391.559 3.810 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430400 1015700533 /nfs/dbraw/zinc/70/05/33/1015700533.db2.gz XHPSGKRZXYBYNX-HXUWFJFHSA-N 2 1 388.600 3.792 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000468895677 1016182832 /nfs/dbraw/zinc/18/28/32/1016182832.db2.gz IKNPGYQJUNLLOF-RBUKOAKNSA-N 2 1 384.568 3.536 20 0 GHADMP CCc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000469765462 1016618256 /nfs/dbraw/zinc/61/82/56/1016618256.db2.gz STSFOPAHGFPLBP-CYGODWOOSA-N 2 1 399.604 3.673 20 0 GHADMP CCc1ccc(CNC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000469765462 1016618265 /nfs/dbraw/zinc/61/82/65/1016618265.db2.gz STSFOPAHGFPLBP-CYGODWOOSA-N 2 1 399.604 3.673 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000470274579 1016757841 /nfs/dbraw/zinc/75/78/41/1016757841.db2.gz KYLMTZJBYKRJID-NNWRFLSQSA-N 2 1 388.600 3.515 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000470274579 1016757853 /nfs/dbraw/zinc/75/78/53/1016757853.db2.gz KYLMTZJBYKRJID-NNWRFLSQSA-N 2 1 388.600 3.515 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000470274579 1016757860 /nfs/dbraw/zinc/75/78/60/1016757860.db2.gz KYLMTZJBYKRJID-NNWRFLSQSA-N 2 1 388.600 3.515 20 0 GHADMP CCc1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)n1 ZINC000557705838 1017031750 /nfs/dbraw/zinc/03/17/50/1017031750.db2.gz YCYAETSSACGSOH-QZTJIDSGSA-N 2 1 393.601 3.506 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC001221405913 1032400958 /nfs/dbraw/zinc/40/09/58/1032400958.db2.gz CSEIOXYIYWTCRT-WTIAFYNJSA-N 2 1 393.575 3.771 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001221621222 1032485279 /nfs/dbraw/zinc/48/52/79/1032485279.db2.gz HUJJIAZFIPIPCL-QFIPXVFZSA-N 2 1 390.616 3.595 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)c1Cl ZINC001277230691 1032512720 /nfs/dbraw/zinc/51/27/20/1032512720.db2.gz ZHAXFNAYGONJJY-MRXNPFEDSA-N 2 1 398.378 3.582 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ncnc4ccccc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357094 1032516428 /nfs/dbraw/zinc/51/64/28/1032516428.db2.gz ATTJDLRXJNEAEI-FQEVSTJZSA-N 2 1 387.531 3.544 20 0 GHADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C2CC2)n1 ZINC001155362310 1032519297 /nfs/dbraw/zinc/51/92/97/1032519297.db2.gz PSHGTWGGYWCRIK-OAQYLSRUSA-N 2 1 391.563 3.576 20 0 GHADMP CCCCc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncn1 ZINC001155363266 1032520183 /nfs/dbraw/zinc/52/01/83/1032520183.db2.gz WDABMPZGOWRNBF-NRFANRHFSA-N 2 1 393.579 3.733 20 0 GHADMP c1oc(-c2ccccc2)nc1CN1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925658600 1017129340 /nfs/dbraw/zinc/12/93/40/1017129340.db2.gz JKWPMVBJYTYSCD-NRFANRHFSA-N 2 1 380.536 3.570 20 0 GHADMP CC(=O)c1ccc(N2CC[NH+](Cc3ccc(OCCC[NH+](C)C)cc3)CC2)cc1 ZINC001204268207 1032710923 /nfs/dbraw/zinc/71/09/23/1032710923.db2.gz GTKPQJPKIWQUCE-UHFFFAOYSA-N 2 1 395.547 3.542 20 0 GHADMP Cc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204271405 1032715144 /nfs/dbraw/zinc/71/51/44/1032715144.db2.gz MDBHBVBSBPURKP-QFIPXVFZSA-N 2 1 383.536 3.764 20 0 GHADMP Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204273166 1032716775 /nfs/dbraw/zinc/71/67/75/1032716775.db2.gz ZPUBZIJSNHXAFW-QFIPXVFZSA-N 2 1 383.536 3.764 20 0 GHADMP Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000564858230 1019118047 /nfs/dbraw/zinc/11/80/47/1019118047.db2.gz ASQVIFDJBIACLS-ZGZMIOHPSA-N 2 1 394.559 3.677 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(I)cc2)CC1 ZINC001204403044 1032827294 /nfs/dbraw/zinc/82/72/94/1032827294.db2.gz NNDWZYWKHUUSHD-UHFFFAOYSA-N 2 1 386.321 3.843 20 0 GHADMP CC[C@H](C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000570369919 1019592882 /nfs/dbraw/zinc/59/28/82/1019592882.db2.gz BVXOFASYIZVVIL-IFMALSPDSA-N 2 1 394.563 3.754 20 0 GHADMP Fc1ccc(OCc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000571921506 1019726769 /nfs/dbraw/zinc/72/67/69/1019726769.db2.gz WYFBAPDIEDPRLF-CVEARBPZSA-N 2 1 375.513 3.683 20 0 GHADMP CCC[C@]1(CO)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000579036553 1020382154 /nfs/dbraw/zinc/38/21/54/1020382154.db2.gz ZQJYIJGQCVWJEK-ZEQRLZLVSA-N 2 1 388.596 3.656 20 0 GHADMP c1nnc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc2)[nH]1 ZINC000579593448 1020425359 /nfs/dbraw/zinc/42/53/59/1020425359.db2.gz KNJBVMAYGQDGCU-FCHUYYIVSA-N 2 1 387.531 3.723 20 0 GHADMP c1nnc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc2)[nH]1 ZINC000579593448 1020425365 /nfs/dbraw/zinc/42/53/65/1020425365.db2.gz KNJBVMAYGQDGCU-FCHUYYIVSA-N 2 1 387.531 3.723 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000632872723 1020917302 /nfs/dbraw/zinc/91/73/02/1020917302.db2.gz AJHLUQMQYSGPQH-XZOQPEGZSA-N 2 1 377.532 3.533 20 0 GHADMP [NH3+]C1(CC(=O)Nc2ccc(OC(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637876833 1021031589 /nfs/dbraw/zinc/03/15/89/1021031589.db2.gz VKGUCQWIIHENPG-UHFFFAOYSA-N 2 1 389.446 3.610 20 0 GHADMP Cc1cc(N2CCCC2)nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001156314317 1032975234 /nfs/dbraw/zinc/97/52/34/1032975234.db2.gz FNWUSMNCZJYUCP-PCCBWWKXSA-N 2 1 377.536 3.708 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3-c3cccnc3)CC2)C1 ZINC001140319322 1021391092 /nfs/dbraw/zinc/39/10/92/1021391092.db2.gz WVNNYIJRGVCCER-OAQYLSRUSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3-c3cccnc3)CC2)C1 ZINC001140319322 1021391112 /nfs/dbraw/zinc/39/11/12/1021391112.db2.gz WVNNYIJRGVCCER-OAQYLSRUSA-N 2 1 393.531 3.598 20 0 GHADMP Clc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2c(n1)C[NH2+]CC2 ZINC001156315341 1032976543 /nfs/dbraw/zinc/97/65/43/1032976543.db2.gz AURWMYLHMYWYCR-QXAKKESOSA-N 2 1 382.939 3.703 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000834822236 1021516096 /nfs/dbraw/zinc/51/60/96/1021516096.db2.gz BRIRUMCXYFJQPN-LPIPBFEGSA-N 2 1 397.563 3.637 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC001140379515 1021526571 /nfs/dbraw/zinc/52/65/71/1021526571.db2.gz ICZCHZVOFQJZSV-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593724 1032988757 /nfs/dbraw/zinc/98/87/57/1032988757.db2.gz UBZHFEXELNSJBJ-UGKGYDQZSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593724 1032988759 /nfs/dbraw/zinc/98/87/59/1032988759.db2.gz UBZHFEXELNSJBJ-UGKGYDQZSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593724 1032988773 /nfs/dbraw/zinc/98/87/73/1032988773.db2.gz UBZHFEXELNSJBJ-UGKGYDQZSA-N 2 1 379.589 3.687 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001204621811 1032998206 /nfs/dbraw/zinc/99/82/06/1032998206.db2.gz NLANNNFKOUYCEQ-UHFFFAOYSA-N 2 1 390.984 3.894 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC001137315541 1021894001 /nfs/dbraw/zinc/89/40/01/1021894001.db2.gz DLBMUVBZKJMEPK-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP COC(=O)c1ccc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)s1 ZINC001140523861 1021915200 /nfs/dbraw/zinc/91/52/00/1021915200.db2.gz DHIFALUOULNPOE-GMLUQMLDSA-N 2 1 386.561 3.930 20 0 GHADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000678771230 1021924572 /nfs/dbraw/zinc/92/45/72/1021924572.db2.gz LQTGUJKNFXOZJK-XANCMCCPSA-N 2 1 391.559 3.797 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(C)c1O ZINC001140655989 1022185404 /nfs/dbraw/zinc/18/54/04/1022185404.db2.gz GKGPXNBOAKLYHT-UHFFFAOYSA-N 2 1 395.547 3.519 20 0 GHADMP Cc1cc(F)ccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001140780124 1022506335 /nfs/dbraw/zinc/50/63/35/1022506335.db2.gz OOCQTWZHJRECEC-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC001204762829 1033076357 /nfs/dbraw/zinc/07/63/57/1033076357.db2.gz BQYVKSLYYMJCMO-NSHDSACASA-N 2 1 379.307 3.526 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC001204762829 1033076367 /nfs/dbraw/zinc/07/63/67/1033076367.db2.gz BQYVKSLYYMJCMO-NSHDSACASA-N 2 1 379.307 3.526 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC001204784188 1033089367 /nfs/dbraw/zinc/08/93/67/1033089367.db2.gz OWQRHDQEPLBTBS-LJQANCHMSA-N 2 1 375.557 3.896 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC001204784188 1033089385 /nfs/dbraw/zinc/08/93/85/1033089385.db2.gz OWQRHDQEPLBTBS-LJQANCHMSA-N 2 1 375.557 3.896 20 0 GHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)cc1OC ZINC001140974336 1023050461 /nfs/dbraw/zinc/05/04/61/1023050461.db2.gz ZWXWXEDYCWABSK-OAQYLSRUSA-N 2 1 395.547 3.793 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)C(C)(C)C ZINC000755065878 1023055126 /nfs/dbraw/zinc/05/51/26/1023055126.db2.gz JSOZNPXEVMTPFO-RLLQIKCJSA-N 2 1 380.621 3.647 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001140975845 1023059199 /nfs/dbraw/zinc/05/91/99/1023059199.db2.gz XDSXWVXQCLRIAW-NRFANRHFSA-N 2 1 385.552 3.944 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001141014209 1023210217 /nfs/dbraw/zinc/21/02/17/1023210217.db2.gz DCEDOCSHSJLQFF-UHFFFAOYSA-N 2 1 384.471 3.978 20 0 GHADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)c1 ZINC001204849385 1033119450 /nfs/dbraw/zinc/11/94/50/1033119450.db2.gz ZCKBNNVUKRTJBJ-QFIPXVFZSA-N 2 1 375.520 3.842 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3c4ccccc4nc3SC(F)F)C2)CC1 ZINC000755779564 1023373872 /nfs/dbraw/zinc/37/38/72/1023373872.db2.gz KHZDWYWAILGYNP-OAHLLOKOSA-N 2 1 380.508 3.972 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(O)c4ccccc34)CC2)C1 ZINC001138055903 1023959454 /nfs/dbraw/zinc/95/94/54/1023959454.db2.gz JMSZZULZQMFWRN-LJQANCHMSA-N 2 1 396.531 3.785 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(O)c4ccccc34)CC2)C1 ZINC001138055903 1023959458 /nfs/dbraw/zinc/95/94/58/1023959458.db2.gz JMSZZULZQMFWRN-LJQANCHMSA-N 2 1 396.531 3.785 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831146001 1024380897 /nfs/dbraw/zinc/38/08/97/1024380897.db2.gz AHUDXBDWRLVUID-MOPGFXCFSA-N 2 1 398.954 3.821 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831146001 1024380924 /nfs/dbraw/zinc/38/09/24/1024380924.db2.gz AHUDXBDWRLVUID-MOPGFXCFSA-N 2 1 398.954 3.821 20 0 GHADMP Fc1ccc(Oc2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)cc1 ZINC001141317325 1024527366 /nfs/dbraw/zinc/52/73/66/1024527366.db2.gz UKYPSXNKZKKSIN-UHFFFAOYSA-N 2 1 383.511 3.831 20 0 GHADMP COc1cc2cccnc2c(N(c2cc(N(C)C)[nH+]c(C)n2)[C@H](C)CCC[NH3+])c1 ZINC001156750103 1033222219 /nfs/dbraw/zinc/22/22/19/1033222219.db2.gz NHBREUNKJJMKSR-OAHLLOKOSA-N 2 1 394.523 3.673 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4nccnc34)C[C@H]21 ZINC001138303330 1024598951 /nfs/dbraw/zinc/59/89/51/1024598951.db2.gz SYZHZGFIABTQGM-QTGUNEKASA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4nccnc34)C[C@H]21 ZINC001138303330 1024598963 /nfs/dbraw/zinc/59/89/63/1024598963.db2.gz SYZHZGFIABTQGM-QTGUNEKASA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4nccnc34)C[C@H]21 ZINC001138303330 1024598976 /nfs/dbraw/zinc/59/89/76/1024598976.db2.gz SYZHZGFIABTQGM-QTGUNEKASA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4nccnc34)C[C@H]21 ZINC001138303330 1024598989 /nfs/dbraw/zinc/59/89/89/1024598989.db2.gz SYZHZGFIABTQGM-QTGUNEKASA-N 2 1 387.531 3.757 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522730 1024616519 /nfs/dbraw/zinc/61/65/19/1024616519.db2.gz VHCCPDQLMBYNLZ-PMACEKPBSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522730 1024616521 /nfs/dbraw/zinc/61/65/21/1024616521.db2.gz VHCCPDQLMBYNLZ-PMACEKPBSA-N 2 1 389.902 3.892 20 0 GHADMP C[NH+]1CCC(CN2CC[NH+](Cc3c4ccccc4[nH]c3C(C)(C)C)CC2)CC1 ZINC001138315137 1024632339 /nfs/dbraw/zinc/63/23/39/1024632339.db2.gz VJRUZZIQNQKMHD-UHFFFAOYSA-N 2 1 382.596 3.925 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(O)cc(O)c2)CC3)c1 ZINC001138327403 1024673955 /nfs/dbraw/zinc/67/39/55/1024673955.db2.gz ULRUGHNHOBFPSK-UHFFFAOYSA-N 2 1 382.504 3.595 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001138411553 1024795885 /nfs/dbraw/zinc/79/58/85/1024795885.db2.gz JTSQXVRBSCMIPJ-WZONZLPQSA-N 2 1 385.527 3.796 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001138411553 1024795890 /nfs/dbraw/zinc/79/58/90/1024795890.db2.gz JTSQXVRBSCMIPJ-WZONZLPQSA-N 2 1 385.527 3.796 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001138411553 1024795896 /nfs/dbraw/zinc/79/58/96/1024795896.db2.gz JTSQXVRBSCMIPJ-WZONZLPQSA-N 2 1 385.527 3.796 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001138411553 1024795899 /nfs/dbraw/zinc/79/58/99/1024795899.db2.gz JTSQXVRBSCMIPJ-WZONZLPQSA-N 2 1 385.527 3.796 20 0 GHADMP Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001138411553 1024795903 /nfs/dbraw/zinc/79/59/03/1024795903.db2.gz JTSQXVRBSCMIPJ-WZONZLPQSA-N 2 1 385.527 3.796 20 0 GHADMP Fc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c2c(c1)COCO2 ZINC001141394319 1024858404 /nfs/dbraw/zinc/85/84/04/1024858404.db2.gz USJNQWQNZDIQLZ-UHFFFAOYSA-N 2 1 386.467 3.773 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138526954 1024967073 /nfs/dbraw/zinc/96/70/73/1024967073.db2.gz AWUHFCKBLWQGFP-REWPJTCUSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138526954 1024967078 /nfs/dbraw/zinc/96/70/78/1024967078.db2.gz AWUHFCKBLWQGFP-REWPJTCUSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138526954 1024967085 /nfs/dbraw/zinc/96/70/85/1024967085.db2.gz AWUHFCKBLWQGFP-REWPJTCUSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138526954 1024967090 /nfs/dbraw/zinc/96/70/90/1024967090.db2.gz AWUHFCKBLWQGFP-REWPJTCUSA-N 2 1 397.588 3.990 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001138543142 1024985638 /nfs/dbraw/zinc/98/56/38/1024985638.db2.gz LCDGLPWOVNSYGM-UHFFFAOYSA-N 3 1 382.552 3.505 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)cc1 ZINC001138549532 1024997096 /nfs/dbraw/zinc/99/70/96/1024997096.db2.gz XVKMRRZGGUHKFE-QFBILLFUSA-N 2 1 384.524 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)cc1 ZINC001138549532 1024997103 /nfs/dbraw/zinc/99/71/03/1024997103.db2.gz XVKMRRZGGUHKFE-QFBILLFUSA-N 2 1 384.524 3.916 20 0 GHADMP C[NH+](C)CCOc1ccc(Nc2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)cc1 ZINC001205107096 1033255150 /nfs/dbraw/zinc/25/51/50/1033255150.db2.gz CPZNGCWLEPNMLA-UHFFFAOYSA-N 2 1 394.563 3.607 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578903 1025058572 /nfs/dbraw/zinc/05/85/72/1025058572.db2.gz FHDMUYHZUDHTOG-DZFGPLHGSA-N 2 1 381.568 3.835 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578903 1025058580 /nfs/dbraw/zinc/05/85/80/1025058580.db2.gz FHDMUYHZUDHTOG-DZFGPLHGSA-N 2 1 381.568 3.835 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578903 1025058591 /nfs/dbraw/zinc/05/85/91/1025058591.db2.gz FHDMUYHZUDHTOG-DZFGPLHGSA-N 2 1 381.568 3.835 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578903 1025058600 /nfs/dbraw/zinc/05/86/00/1025058600.db2.gz FHDMUYHZUDHTOG-DZFGPLHGSA-N 2 1 381.568 3.835 20 0 GHADMP C[N@H+](Cc1ccccc1N1CCC(O)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001138763744 1025325929 /nfs/dbraw/zinc/32/59/29/1025325929.db2.gz CQPRRTOHHBIPTG-UHFFFAOYSA-N 2 1 385.596 3.877 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CCC(O)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001138763744 1025325936 /nfs/dbraw/zinc/32/59/36/1025325936.db2.gz CQPRRTOHHBIPTG-UHFFFAOYSA-N 2 1 385.596 3.877 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(OCCO)cc3)C[C@@H]21 ZINC001138794008 1025368630 /nfs/dbraw/zinc/36/86/30/1025368630.db2.gz CLFZCEOZALEAQS-HJOGWXRNSA-N 2 1 380.532 3.668 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(OCCO)cc3)C[C@@H]21 ZINC001138794008 1025368644 /nfs/dbraw/zinc/36/86/44/1025368644.db2.gz CLFZCEOZALEAQS-HJOGWXRNSA-N 2 1 380.532 3.668 20 0 GHADMP Cc1cc2c(nc[nH+]c2N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)[nH]1 ZINC001162055822 1025570493 /nfs/dbraw/zinc/57/04/93/1025570493.db2.gz MJFOTAXMIZETDS-UHFFFAOYSA-N 2 1 389.425 3.826 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC3(C2)CCCCC3)c1C ZINC001141577785 1025673293 /nfs/dbraw/zinc/67/32/93/1025673293.db2.gz SSIOUDNZXHCPSH-UHFFFAOYSA-N 2 1 388.600 3.859 20 0 GHADMP Brc1c[nH]nc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139027269 1025793017 /nfs/dbraw/zinc/79/30/17/1025793017.db2.gz SRWWRIOHKJDEHS-IAGOWNOFSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139027269 1025793031 /nfs/dbraw/zinc/79/30/31/1025793031.db2.gz SRWWRIOHKJDEHS-IAGOWNOFSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139027269 1025793037 /nfs/dbraw/zinc/79/30/37/1025793037.db2.gz SRWWRIOHKJDEHS-IAGOWNOFSA-N 2 1 389.341 3.516 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(-n3c4ccccc4nc3[C@H](C)[NH3+])c2c1C ZINC001162763619 1025910524 /nfs/dbraw/zinc/91/05/24/1025910524.db2.gz RBFXVLUNQFRZAV-LBPRGKRZSA-N 2 1 380.521 3.728 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4nnccc4c3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162933207 1025971192 /nfs/dbraw/zinc/97/11/92/1025971192.db2.gz AFQFYJOVVLBNSO-OAQYLSRUSA-N 2 1 387.531 3.544 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc4cnncc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940417 1025976719 /nfs/dbraw/zinc/97/67/19/1025976719.db2.gz DEWIMASWTOMVPU-OAQYLSRUSA-N 2 1 387.531 3.544 20 0 GHADMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C)c(Cc2ccc(Cl)cc2)c(C)n1 ZINC001163129075 1026058090 /nfs/dbraw/zinc/05/80/90/1026058090.db2.gz FXAFKNDGOOBFEF-UHFFFAOYSA-N 2 1 388.947 3.616 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@@H]21 ZINC001139212541 1026063207 /nfs/dbraw/zinc/06/32/07/1026063207.db2.gz GXZXUZSSKAVDFI-LQBOVUBWSA-N 2 1 393.560 3.819 20 0 GHADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c2cc(Br)ccc21 ZINC001139218185 1026071106 /nfs/dbraw/zinc/07/11/06/1026071106.db2.gz HVTMJYTVTQQSFU-UHFFFAOYSA-N 2 1 376.342 3.859 20 0 GHADMP c1cn(Cc2ccccc2)c2c1cc[nH+]c2NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163277480 1026120879 /nfs/dbraw/zinc/12/08/79/1026120879.db2.gz GPDOAPFERVLBMW-AUSIDOKSSA-N 2 1 376.504 3.655 20 0 GHADMP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)c12 ZINC001163278005 1026121309 /nfs/dbraw/zinc/12/13/09/1026121309.db2.gz GAJBGJXUJGQUPP-JTSKRJEESA-N 2 1 383.540 3.734 20 0 GHADMP CC[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001461064194 1069370708 /nfs/dbraw/zinc/37/07/08/1069370708.db2.gz AVGLWLMLHSTDRZ-UXHICEINSA-N 2 1 387.568 3.653 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc3ccc(Br)cc3[nH]2)CC1 ZINC001139475757 1026338691 /nfs/dbraw/zinc/33/86/91/1026338691.db2.gz IFBNROPVNGSNEF-UHFFFAOYSA-N 2 1 385.309 3.956 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139497889 1026353945 /nfs/dbraw/zinc/35/39/45/1026353945.db2.gz HUWBWKYTJWBYDH-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139497889 1026353957 /nfs/dbraw/zinc/35/39/57/1026353957.db2.gz HUWBWKYTJWBYDH-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139497889 1026353969 /nfs/dbraw/zinc/35/39/69/1026353969.db2.gz HUWBWKYTJWBYDH-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139497889 1026353977 /nfs/dbraw/zinc/35/39/77/1026353977.db2.gz HUWBWKYTJWBYDH-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(-c4ccsc4)nc3)C2)C1 ZINC001139497889 1026353987 /nfs/dbraw/zinc/35/39/87/1026353987.db2.gz HUWBWKYTJWBYDH-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001139512756 1026368623 /nfs/dbraw/zinc/36/86/23/1026368623.db2.gz IEGMJZGTNBFMRX-SFTDATJTSA-N 2 1 379.548 3.618 20 0 GHADMP C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513773 1026370335 /nfs/dbraw/zinc/37/03/35/1026370335.db2.gz BGCSSSRZKVXVOS-GMAHTHKFSA-N 2 1 393.575 3.602 20 0 GHADMP Cc1cnc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001139589419 1026452545 /nfs/dbraw/zinc/45/25/45/1026452545.db2.gz DIPIHZPUWSTHJA-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cnc3cccnc3c1)CC2 ZINC001139738426 1026578430 /nfs/dbraw/zinc/57/84/30/1026578430.db2.gz DUVJOLSISJJETN-UHFFFAOYSA-N 2 1 391.519 3.865 20 0 GHADMP C[N@@H+](CCNCc1ccc(OCCn2ccnc2)c(Cl)c1)C1CCCCC1 ZINC001461118785 1069400054 /nfs/dbraw/zinc/40/00/54/1069400054.db2.gz YLZRPNQVUMAMJT-UHFFFAOYSA-N 2 1 390.959 3.970 20 0 GHADMP CN(CC[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1)C1CCCCC1 ZINC001461118785 1069400057 /nfs/dbraw/zinc/40/00/57/1069400057.db2.gz YLZRPNQVUMAMJT-UHFFFAOYSA-N 2 1 390.959 3.970 20 0 GHADMP CC[N@H+]([C@H]1CCOC1)C1CCN(c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001165110624 1026613115 /nfs/dbraw/zinc/61/31/15/1026613115.db2.gz UKRANCKQWDOPLR-IBGZPJMESA-N 2 1 383.540 3.626 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2[nH+]cnc3c2ccn3C2CCCC2)CC1 ZINC001165110624 1026613120 /nfs/dbraw/zinc/61/31/20/1026613120.db2.gz UKRANCKQWDOPLR-IBGZPJMESA-N 2 1 383.540 3.626 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)s1 ZINC001139815496 1026637782 /nfs/dbraw/zinc/63/77/82/1026637782.db2.gz FVUIRMDVKVGCKZ-UHFFFAOYSA-N 2 1 387.549 3.648 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH2+]C[C@]3(c3ccccc3)C2)nc1 ZINC001165169060 1026645169 /nfs/dbraw/zinc/64/51/69/1026645169.db2.gz OLTGPPCBNXVMJM-JBRSBNLGSA-N 2 1 390.575 3.996 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001165201988 1026663365 /nfs/dbraw/zinc/66/33/65/1026663365.db2.gz KYVTXEYCXWGDMT-VQTJNVASSA-N 2 1 394.563 3.559 20 0 GHADMP C[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165201987 1026663544 /nfs/dbraw/zinc/66/35/44/1026663544.db2.gz KYVTXEYCXWGDMT-UXHICEINSA-N 2 1 394.563 3.559 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(O)cc1Cl)CC2 ZINC001140084723 1026862194 /nfs/dbraw/zinc/86/21/94/1026862194.db2.gz QGHFTBQPBFHBHT-KRWDZBQOSA-N 2 1 390.911 3.894 20 0 GHADMP COc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)ccc1C ZINC001140157353 1026930272 /nfs/dbraw/zinc/93/02/72/1026930272.db2.gz AGABBXAWMIZKEF-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccncc4)cc3)CC2)C1 ZINC001140175329 1026948464 /nfs/dbraw/zinc/94/84/64/1026948464.db2.gz YPPPGGMSAOKJGZ-JOCHJYFZSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4ccncc4)cc3)CC2)C1 ZINC001140175329 1026948465 /nfs/dbraw/zinc/94/84/65/1026948465.db2.gz YPPPGGMSAOKJGZ-JOCHJYFZSA-N 2 1 393.531 3.598 20 0 GHADMP Cc1cccn2cc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001209738779 1027130736 /nfs/dbraw/zinc/13/07/36/1027130736.db2.gz KAEOQUPYLWWOCA-UHFFFAOYSA-N 2 1 375.520 3.526 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccccc1OC)CC2 ZINC001203428525 1027330936 /nfs/dbraw/zinc/33/09/36/1027330936.db2.gz RVKJBSKGUIYUNX-JOCHJYFZSA-N 2 1 395.547 3.593 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001461224144 1069450332 /nfs/dbraw/zinc/45/03/32/1069450332.db2.gz MTQVWCKFRJIWDK-UHFFFAOYSA-N 2 1 387.487 3.987 20 0 GHADMP COc1cccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449760 1027347747 /nfs/dbraw/zinc/34/77/47/1027347747.db2.gz SQRXZVIKVDYCMX-VLCRHTCISA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449760 1027347760 /nfs/dbraw/zinc/34/77/60/1027347760.db2.gz SQRXZVIKVDYCMX-VLCRHTCISA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449760 1027347778 /nfs/dbraw/zinc/34/77/78/1027347778.db2.gz SQRXZVIKVDYCMX-VLCRHTCISA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449760 1027347793 /nfs/dbraw/zinc/34/77/93/1027347793.db2.gz SQRXZVIKVDYCMX-VLCRHTCISA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449760 1027347807 /nfs/dbraw/zinc/34/78/07/1027347807.db2.gz SQRXZVIKVDYCMX-VLCRHTCISA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449760 1027347819 /nfs/dbraw/zinc/34/78/19/1027347819.db2.gz SQRXZVIKVDYCMX-VLCRHTCISA-N 2 1 395.547 3.831 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001461235074 1069455312 /nfs/dbraw/zinc/45/53/12/1069455312.db2.gz PWNSWXZLHKNRBW-RTWAWAEBSA-N 2 1 392.465 3.764 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001461235074 1069455315 /nfs/dbraw/zinc/45/53/15/1069455315.db2.gz PWNSWXZLHKNRBW-RTWAWAEBSA-N 2 1 392.465 3.764 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001461254572 1069463892 /nfs/dbraw/zinc/46/38/92/1069463892.db2.gz HQWIOEDHHTUJHK-MSOLQXFVSA-N 2 1 391.357 3.906 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001461287190 1069481582 /nfs/dbraw/zinc/48/15/82/1069481582.db2.gz SJDPXHLERJYWSI-ZZYHAFTGSA-N 2 1 395.591 3.873 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001461287190 1069481587 /nfs/dbraw/zinc/48/15/87/1069481587.db2.gz SJDPXHLERJYWSI-ZZYHAFTGSA-N 2 1 395.591 3.873 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cccs1)CC2 ZINC001204012568 1027806336 /nfs/dbraw/zinc/80/63/36/1027806336.db2.gz DXYUEKJSYYZDCI-MRXNPFEDSA-N 2 1 377.579 3.708 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cccs1)CC2 ZINC001204012568 1027806359 /nfs/dbraw/zinc/80/63/59/1027806359.db2.gz DXYUEKJSYYZDCI-MRXNPFEDSA-N 2 1 377.579 3.708 20 0 GHADMP Cc1ccsc1C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001204021413 1027812738 /nfs/dbraw/zinc/81/27/38/1027812738.db2.gz HBKSQGBBTXGGMN-UHFFFAOYSA-N 2 1 397.588 3.613 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204116545 1027888558 /nfs/dbraw/zinc/88/85/58/1027888558.db2.gz QCWUXINVORKMIO-JBACZVJFSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204116545 1027888577 /nfs/dbraw/zinc/88/85/77/1027888577.db2.gz QCWUXINVORKMIO-JBACZVJFSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204116545 1027888600 /nfs/dbraw/zinc/88/86/00/1027888600.db2.gz QCWUXINVORKMIO-JBACZVJFSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204116545 1027888620 /nfs/dbraw/zinc/88/86/20/1027888620.db2.gz QCWUXINVORKMIO-JBACZVJFSA-N 2 1 381.520 3.528 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000840864179 1027900842 /nfs/dbraw/zinc/90/08/42/1027900842.db2.gz GWUNULJGGSZLEX-AUSIDOKSSA-N 2 1 395.547 3.792 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001461349148 1069512440 /nfs/dbraw/zinc/51/24/40/1069512440.db2.gz ZHDICGKCXDXZAS-IAGOWNOFSA-N 2 1 387.749 3.570 20 0 GHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001461429759 1069546543 /nfs/dbraw/zinc/54/65/43/1069546543.db2.gz ITVPGPXBPBBDME-SFHVURJKSA-N 2 1 395.330 3.858 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142599240 1029127635 /nfs/dbraw/zinc/12/76/35/1029127635.db2.gz DVEDDMFNABZONT-DEOSSOPVSA-N 2 1 378.516 3.961 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142599240 1029127645 /nfs/dbraw/zinc/12/76/45/1029127645.db2.gz DVEDDMFNABZONT-DEOSSOPVSA-N 2 1 378.516 3.961 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142599240 1029127649 /nfs/dbraw/zinc/12/76/49/1029127649.db2.gz DVEDDMFNABZONT-DEOSSOPVSA-N 2 1 378.516 3.961 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142599240 1029127653 /nfs/dbraw/zinc/12/76/53/1029127653.db2.gz DVEDDMFNABZONT-DEOSSOPVSA-N 2 1 378.516 3.961 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)c(Cl)c1Cl ZINC001276720828 1029144272 /nfs/dbraw/zinc/14/42/72/1029144272.db2.gz WUVLVZPGHVLRIO-INIZCTEOSA-N 2 1 398.378 3.582 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000401783079 1029180427 /nfs/dbraw/zinc/18/04/27/1029180427.db2.gz XTZRCPLUILSUNN-IPMKNSEASA-N 2 1 376.545 3.511 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000842479707 1029316444 /nfs/dbraw/zinc/31/64/44/1029316444.db2.gz WQAYSVGLYYQVIC-UPVQGACJSA-N 2 1 393.531 3.510 20 0 GHADMP FC(F)Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1OC(F)F ZINC001142809176 1029507805 /nfs/dbraw/zinc/50/78/05/1029507805.db2.gz RYQULLHJDWSJQT-UHFFFAOYSA-N 2 1 385.361 3.607 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000842703515 1029514062 /nfs/dbraw/zinc/51/40/62/1029514062.db2.gz YVYMHWVRFYYNFC-NYDSKATKSA-N 2 1 394.515 3.624 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000842703515 1029514072 /nfs/dbraw/zinc/51/40/72/1029514072.db2.gz YVYMHWVRFYYNFC-NYDSKATKSA-N 2 1 394.515 3.624 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142910699 1029675961 /nfs/dbraw/zinc/67/59/61/1029675961.db2.gz KKRDYBCGSHNPDZ-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142910699 1029675970 /nfs/dbraw/zinc/67/59/70/1029675970.db2.gz KKRDYBCGSHNPDZ-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142910699 1029675977 /nfs/dbraw/zinc/67/59/77/1029675977.db2.gz KKRDYBCGSHNPDZ-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142910699 1029675979 /nfs/dbraw/zinc/67/59/79/1029675979.db2.gz KKRDYBCGSHNPDZ-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000842924629 1029689239 /nfs/dbraw/zinc/68/92/39/1029689239.db2.gz QZMVLODXUIYFSZ-NRDMVMEKSA-N 2 1 387.568 3.709 20 0 GHADMP CC(C)N(C(=O)C[NH+](C)CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142953095 1029728616 /nfs/dbraw/zinc/72/86/16/1029728616.db2.gz FWCBMDXOZYOCAX-DEOSSOPVSA-N 2 1 393.575 3.672 20 0 GHADMP CC(C)N(C(=O)C[NH+](C)CCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142953095 1029728622 /nfs/dbraw/zinc/72/86/22/1029728622.db2.gz FWCBMDXOZYOCAX-DEOSSOPVSA-N 2 1 393.575 3.672 20 0 GHADMP CC(C)N(C(=O)C[N@H+](C)CCc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142953095 1029728628 /nfs/dbraw/zinc/72/86/28/1029728628.db2.gz FWCBMDXOZYOCAX-DEOSSOPVSA-N 2 1 393.575 3.672 20 0 GHADMP CC(C)N(C(=O)C[N@@H+](C)CCc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142953095 1029728633 /nfs/dbraw/zinc/72/86/33/1029728633.db2.gz FWCBMDXOZYOCAX-DEOSSOPVSA-N 2 1 393.575 3.672 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843059713 1029790396 /nfs/dbraw/zinc/79/03/96/1029790396.db2.gz QTTCJTPXWPKYIV-SNRMKQJTSA-N 2 1 376.907 3.592 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843059713 1029790405 /nfs/dbraw/zinc/79/04/05/1029790405.db2.gz QTTCJTPXWPKYIV-SNRMKQJTSA-N 2 1 376.907 3.592 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001143158007 1029872809 /nfs/dbraw/zinc/87/28/09/1029872809.db2.gz SMMYQCPRYBTKMQ-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001221946500 1029902503 /nfs/dbraw/zinc/90/25/03/1029902503.db2.gz WLSBTWXEGVLFQY-WOUAJJJCSA-N 2 1 394.991 3.608 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001221946500 1029902505 /nfs/dbraw/zinc/90/25/05/1029902505.db2.gz WLSBTWXEGVLFQY-WOUAJJJCSA-N 2 1 394.991 3.608 20 0 GHADMP C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000843354732 1029933934 /nfs/dbraw/zinc/93/39/34/1029933934.db2.gz FOBURTAKFNMZHI-QETWGEEDSA-N 2 1 385.939 3.747 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)c2c1 ZINC001143238687 1029936996 /nfs/dbraw/zinc/93/69/96/1029936996.db2.gz DDRQARMWIAHZPP-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)c2c1 ZINC001143238687 1029937003 /nfs/dbraw/zinc/93/70/03/1029937003.db2.gz DDRQARMWIAHZPP-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001143238687 1029937011 /nfs/dbraw/zinc/93/70/11/1029937011.db2.gz DDRQARMWIAHZPP-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843385653 1029953317 /nfs/dbraw/zinc/95/33/17/1029953317.db2.gz BIJSFWHRDXVDFK-NJDAHSKKSA-N 2 1 398.595 3.716 20 0 GHADMP FC(F)(F)c1cc(Cl)c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222104550 1029965981 /nfs/dbraw/zinc/96/59/81/1029965981.db2.gz HUGVNOMKTZZWOJ-UHFFFAOYSA-N 2 1 382.257 3.540 20 0 GHADMP C[N@@H+](Cc1cc(Cl)ccc1I)CC1CC[NH+](C)CC1 ZINC000404905580 1029971521 /nfs/dbraw/zinc/97/15/21/1029971521.db2.gz FSXWJYPJIRGVBB-UHFFFAOYSA-N 2 1 392.712 3.718 20 0 GHADMP C[N@H+](Cc1cc(Cl)ccc1I)CC1CC[NH+](C)CC1 ZINC000404905580 1029971524 /nfs/dbraw/zinc/97/15/24/1029971524.db2.gz FSXWJYPJIRGVBB-UHFFFAOYSA-N 2 1 392.712 3.718 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](CCCc3ccccc3C(F)(F)F)C[C@@H]1C[NH2+]CCC2 ZINC001222125770 1029971704 /nfs/dbraw/zinc/97/17/04/1029971704.db2.gz VNOXOATZOQWBFL-PXNSSMCTSA-N 2 1 398.469 3.503 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222154825 1029981288 /nfs/dbraw/zinc/98/12/88/1029981288.db2.gz RKLWBCAWGSGGIE-DEOSSOPVSA-N 2 1 394.515 3.628 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222154825 1029981290 /nfs/dbraw/zinc/98/12/90/1029981290.db2.gz RKLWBCAWGSGGIE-DEOSSOPVSA-N 2 1 394.515 3.628 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001222204445 1030002283 /nfs/dbraw/zinc/00/22/83/1030002283.db2.gz HIOIUKIJJNNACE-KEZQHZCBSA-N 2 1 380.621 3.554 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CCCc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC001222215915 1030011564 /nfs/dbraw/zinc/01/15/64/1030011564.db2.gz OGILLLBFZSSPNT-GOSISDBHSA-N 2 1 398.469 3.645 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1c3ccccc3[nH]c1C(C)(C)C)CC[NH2+]CC2 ZINC001222220744 1030013956 /nfs/dbraw/zinc/01/39/56/1030013956.db2.gz GRDOYPYAIGELLZ-HXUWFJFHSA-N 2 1 397.563 3.973 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1sc(-c3ccccc3)nc1C)CC[NH2+]CC2 ZINC001222222128 1030015323 /nfs/dbraw/zinc/01/53/23/1030015323.db2.gz XULMBHKNOGSRLO-SFHVURJKSA-N 2 1 399.560 3.626 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1sc(-c3ccccc3)nc1C)CC[NH2+]CC2 ZINC001222222128 1030015341 /nfs/dbraw/zinc/01/53/41/1030015341.db2.gz XULMBHKNOGSRLO-SFHVURJKSA-N 2 1 399.560 3.626 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001149206250 1030091401 /nfs/dbraw/zinc/09/14/01/1030091401.db2.gz PWRLHFDYDOZFPT-ODAXIHTASA-N 2 1 397.607 3.770 20 0 GHADMP Cc1ccc2c(c1)C1(CN2)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001222483012 1030162861 /nfs/dbraw/zinc/16/28/61/1030162861.db2.gz SDECIBOIKLJZGQ-UHFFFAOYSA-N 2 1 391.559 3.787 20 0 GHADMP C[C@@H]1CC(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)C[C@@H](C)O1 ZINC001222574627 1030205221 /nfs/dbraw/zinc/20/52/21/1030205221.db2.gz IJMZELVQXQSHIC-TXTKFYIRSA-N 2 1 386.580 3.993 20 0 GHADMP c1cc2c(nccc2C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]1 ZINC001222584513 1030212548 /nfs/dbraw/zinc/21/25/48/1030212548.db2.gz TUUONKCWEBJUKS-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP Nc1c(F)cccc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591220 1030219314 /nfs/dbraw/zinc/21/93/14/1030219314.db2.gz SWBKRCKBTMFOID-HXUWFJFHSA-N 2 1 383.511 3.711 20 0 GHADMP Nc1c(F)cccc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591220 1030219326 /nfs/dbraw/zinc/21/93/26/1030219326.db2.gz SWBKRCKBTMFOID-HXUWFJFHSA-N 2 1 383.511 3.711 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222601868 1030226419 /nfs/dbraw/zinc/22/64/19/1030226419.db2.gz BPBLXJUIHMYLKG-OAQYLSRUSA-N 2 1 378.516 3.831 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222601868 1030226435 /nfs/dbraw/zinc/22/64/35/1030226435.db2.gz BPBLXJUIHMYLKG-OAQYLSRUSA-N 2 1 378.516 3.831 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001222615445 1030240043 /nfs/dbraw/zinc/24/00/43/1030240043.db2.gz QFSUJEBDCQQYLK-QGZVFWFLSA-N 2 1 392.421 3.783 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001222615445 1030240057 /nfs/dbraw/zinc/24/00/57/1030240057.db2.gz QFSUJEBDCQQYLK-QGZVFWFLSA-N 2 1 392.421 3.783 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001223090521 1030434281 /nfs/dbraw/zinc/43/42/81/1030434281.db2.gz WFIRKKAHGDEYPZ-NNWRFLSQSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001223090858 1030434663 /nfs/dbraw/zinc/43/46/63/1030434663.db2.gz VTLWYSZPOIAKGR-HXUWFJFHSA-N 2 1 388.600 3.707 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC001461681561 1069675401 /nfs/dbraw/zinc/67/54/01/1069675401.db2.gz FZESWGOMDZHDDF-JXFKEZNVSA-N 2 1 383.536 3.666 20 0 GHADMP CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC001461688831 1069679995 /nfs/dbraw/zinc/67/99/95/1069679995.db2.gz CLZJNIZXFQMGLM-MSEWRSJXSA-N 2 1 376.516 3.543 20 0 GHADMP CC(C)C[C@@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001223829803 1030772523 /nfs/dbraw/zinc/77/25/23/1030772523.db2.gz IYWSXBKTGIHJGJ-FPOVZHCZSA-N 2 1 388.600 3.783 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001218337299 1030901386 /nfs/dbraw/zinc/90/13/86/1030901386.db2.gz WRPMTYYRXTXSRI-HSQYWUDLSA-N 2 1 382.504 3.539 20 0 GHADMP Clc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc4c(n3)CC[NH2+]CC4)C2)cc1Cl ZINC001218390970 1030916411 /nfs/dbraw/zinc/91/64/11/1030916411.db2.gz PALCNKCCYJLTFP-MRXNPFEDSA-N 2 1 392.330 3.730 20 0 GHADMP Clc1ccc(C[N@H+]2CC[C@@H](Oc3ccc4c(n3)CC[NH2+]CC4)C2)cc1Cl ZINC001218390970 1030916414 /nfs/dbraw/zinc/91/64/14/1030916414.db2.gz PALCNKCCYJLTFP-MRXNPFEDSA-N 2 1 392.330 3.730 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001218441595 1030937839 /nfs/dbraw/zinc/93/78/39/1030937839.db2.gz LJFJBWJYBDUVTN-YPIGPJMWSA-N 2 1 394.515 3.539 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)c2ccccc2)CC1 ZINC001224305314 1030962276 /nfs/dbraw/zinc/96/22/76/1030962276.db2.gz CCTCLCPFXXIEBQ-QFIPXVFZSA-N 2 1 386.584 3.633 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc3c1C[NH+](Cc1ccccc1)C3)C2 ZINC001151816000 1031014308 /nfs/dbraw/zinc/01/43/08/1031014308.db2.gz IKCWCNBCTQLEKU-DKUWSORSSA-N 2 1 389.543 3.948 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc3c1C[NH+](Cc1ccccc1)C3)C2 ZINC001151816000 1031014323 /nfs/dbraw/zinc/01/43/23/1031014323.db2.gz IKCWCNBCTQLEKU-DKUWSORSSA-N 2 1 389.543 3.948 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc3c1C[N@H+](Cc1ccccc1)C3)C2 ZINC001151816000 1031014339 /nfs/dbraw/zinc/01/43/39/1031014339.db2.gz IKCWCNBCTQLEKU-DKUWSORSSA-N 2 1 389.543 3.948 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc3c1C[N@@H+](Cc1ccccc1)C3)C2 ZINC001151816000 1031014355 /nfs/dbraw/zinc/01/43/55/1031014355.db2.gz IKCWCNBCTQLEKU-DKUWSORSSA-N 2 1 389.543 3.948 20 0 GHADMP C[N@@H+]1[C@@H](C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001218997958 1031203832 /nfs/dbraw/zinc/20/38/32/1031203832.db2.gz MEELBSGAWVVLMV-SESZIYJCSA-N 2 1 391.515 3.546 20 0 GHADMP C[N@H+]1[C@@H](C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001218997958 1031203836 /nfs/dbraw/zinc/20/38/36/1031203836.db2.gz MEELBSGAWVVLMV-SESZIYJCSA-N 2 1 391.515 3.546 20 0 GHADMP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001219046945 1031230141 /nfs/dbraw/zinc/23/01/41/1031230141.db2.gz MUXBCDIBZVPBQR-WVBUVRCRSA-N 2 1 395.547 3.733 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC001225130020 1031270768 /nfs/dbraw/zinc/27/07/68/1031270768.db2.gz DSZJKGKPQLBFLO-QFIPXVFZSA-N 2 1 386.584 3.688 20 0 GHADMP CCC[C@@H]1CN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001219709915 1031570353 /nfs/dbraw/zinc/57/03/53/1031570353.db2.gz HMNOXPGNMBAWET-OAQYLSRUSA-N 2 1 395.551 3.662 20 0 GHADMP C[NH2+]CCCCNC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001220077449 1031774478 /nfs/dbraw/zinc/77/44/78/1031774478.db2.gz JPBKVXNNJUDQBM-UGKGYDQZSA-N 2 1 379.548 3.602 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001220611691 1032011903 /nfs/dbraw/zinc/01/19/03/1032011903.db2.gz VUMXEQWSIZYAIE-NHCUHLMSSA-N 2 1 394.648 3.943 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1CCCCC1 ZINC001220621591 1032021808 /nfs/dbraw/zinc/02/18/08/1032021808.db2.gz ICFZQMIVGQFPEY-OAQYLSRUSA-N 2 1 380.621 3.841 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC001220634184 1032034370 /nfs/dbraw/zinc/03/43/70/1032034370.db2.gz UFKJCFFEJQIVAB-HXUWFJFHSA-N 2 1 394.991 3.754 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001205264811 1033331742 /nfs/dbraw/zinc/33/17/42/1033331742.db2.gz MZLPSWJWWAZFSV-HSZRJFAPSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001205264811 1033331748 /nfs/dbraw/zinc/33/17/48/1033331748.db2.gz MZLPSWJWWAZFSV-HSZRJFAPSA-N 2 1 384.520 3.986 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NCC[NH+]2CCSCC2)n1 ZINC001157045263 1033385569 /nfs/dbraw/zinc/38/55/69/1033385569.db2.gz BCSLIQNNMCFDHN-UHFFFAOYSA-N 2 1 393.626 3.611 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)c(I)c2)CC1 ZINC001205581508 1033478115 /nfs/dbraw/zinc/47/81/15/1033478115.db2.gz UWKHVNADLUEQJN-CQSZACIVSA-N 2 1 396.675 3.598 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(I)c2)CC1 ZINC001205581508 1033478124 /nfs/dbraw/zinc/47/81/24/1033478124.db2.gz UWKHVNADLUEQJN-CQSZACIVSA-N 2 1 396.675 3.598 20 0 GHADMP Cc1cc(NC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC001205708094 1033540884 /nfs/dbraw/zinc/54/08/84/1033540884.db2.gz FYMXPWCCRMOJIN-QFIPXVFZSA-N 2 1 377.492 3.676 20 0 GHADMP Cc1cc(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC001205708094 1033540890 /nfs/dbraw/zinc/54/08/90/1033540890.db2.gz FYMXPWCCRMOJIN-QFIPXVFZSA-N 2 1 377.492 3.676 20 0 GHADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC001205726134 1033549396 /nfs/dbraw/zinc/54/93/96/1033549396.db2.gz OZVMRAOSDSWUTN-FQEVSTJZSA-N 2 1 394.437 3.928 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)c2n1 ZINC001206012245 1033686395 /nfs/dbraw/zinc/68/63/95/1033686395.db2.gz JGTCVGQMVSQUML-KGLIPLIRSA-N 2 1 392.341 3.813 20 0 GHADMP C[C@H]1C[N@@H+](Cc2c(Br)cccc2OC(F)F)CCC[C@H]1C[NH3+] ZINC001206027900 1033693601 /nfs/dbraw/zinc/69/36/01/1033693601.db2.gz XCDDBIBJRJNYEA-RYUDHWBXSA-N 2 1 377.273 3.857 20 0 GHADMP Cc1c[nH+]ccc1N1CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001158104615 1033917016 /nfs/dbraw/zinc/91/70/16/1033917016.db2.gz FXABKGPOOJBYBX-UHFFFAOYSA-N 2 1 384.487 3.510 20 0 GHADMP CC(C)[N@@H+](Cc1c2cc(Br)ccc2nn1C)[C@H]1CCC[NH2+]CC1 ZINC001206591015 1033917481 /nfs/dbraw/zinc/91/74/81/1033917481.db2.gz PAEDEOFDTRRMNU-HNNXBMFYSA-N 2 1 379.346 3.688 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599536 1033920809 /nfs/dbraw/zinc/92/08/09/1033920809.db2.gz ULAXZDWWLWVEPB-KRWDZBQOSA-N 2 1 384.362 3.984 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599536 1033920816 /nfs/dbraw/zinc/92/08/16/1033920816.db2.gz ULAXZDWWLWVEPB-KRWDZBQOSA-N 2 1 384.362 3.984 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(OCc2ccccc2)cc1OC ZINC001206772129 1033977398 /nfs/dbraw/zinc/97/73/98/1033977398.db2.gz YMVDAILNEBBSGN-MJGOQNOKSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)c(OCc2ccccc2)cc1OC ZINC001206772129 1033977411 /nfs/dbraw/zinc/97/74/11/1033977411.db2.gz YMVDAILNEBBSGN-MJGOQNOKSA-N 2 1 384.520 3.842 20 0 GHADMP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001206817004 1033997224 /nfs/dbraw/zinc/99/72/24/1033997224.db2.gz PEKWXBNEWFORET-KRWDZBQOSA-N 2 1 386.496 3.640 20 0 GHADMP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001206817004 1033997228 /nfs/dbraw/zinc/99/72/28/1033997228.db2.gz PEKWXBNEWFORET-KRWDZBQOSA-N 2 1 386.496 3.640 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)o2)cc1 ZINC001206828079 1034009737 /nfs/dbraw/zinc/00/97/37/1034009737.db2.gz UBDPRGXAJYMHLZ-SFHVURJKSA-N 2 1 382.504 3.945 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)o2)cc1 ZINC001206828079 1034009753 /nfs/dbraw/zinc/00/97/53/1034009753.db2.gz UBDPRGXAJYMHLZ-SFHVURJKSA-N 2 1 382.504 3.945 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC001230464953 1034075342 /nfs/dbraw/zinc/07/53/42/1034075342.db2.gz KGGLZZQADYTWPR-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC001230464953 1034075348 /nfs/dbraw/zinc/07/53/48/1034075348.db2.gz KGGLZZQADYTWPR-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001230464953 1034075360 /nfs/dbraw/zinc/07/53/60/1034075360.db2.gz KGGLZZQADYTWPR-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC001230464949 1034075687 /nfs/dbraw/zinc/07/56/87/1034075687.db2.gz KFWWSNGECKWPIL-DHIUTWEWSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC001230464949 1034075700 /nfs/dbraw/zinc/07/57/00/1034075700.db2.gz KFWWSNGECKWPIL-DHIUTWEWSA-N 2 1 398.595 3.654 20 0 GHADMP FC(F)c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207127490 1034110393 /nfs/dbraw/zinc/11/03/93/1034110393.db2.gz IDPWOIIRPVXGSP-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207127490 1034110403 /nfs/dbraw/zinc/11/04/03/1034110403.db2.gz IDPWOIIRPVXGSP-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207127490 1034110414 /nfs/dbraw/zinc/11/04/14/1034110414.db2.gz IDPWOIIRPVXGSP-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001158551025 1034147013 /nfs/dbraw/zinc/14/70/13/1034147013.db2.gz FLFPDFZLNOUKAA-SFHVURJKSA-N 2 1 387.409 3.520 20 0 GHADMP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(-n2ccnc2)cc[nH+]1 ZINC001158551025 1034147021 /nfs/dbraw/zinc/14/70/21/1034147021.db2.gz FLFPDFZLNOUKAA-SFHVURJKSA-N 2 1 387.409 3.520 20 0 GHADMP CC1=CC[C@@H](CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)C1(C)C ZINC001207271645 1034226276 /nfs/dbraw/zinc/22/62/76/1034226276.db2.gz GUDHJTYGNVFWHI-MLNNCEHLSA-N 2 1 385.600 3.834 20 0 GHADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1(C)C ZINC001207271645 1034226292 /nfs/dbraw/zinc/22/62/92/1034226292.db2.gz GUDHJTYGNVFWHI-MLNNCEHLSA-N 2 1 385.600 3.834 20 0 GHADMP CC1=CC[C@@H](CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)C1(C)C ZINC001207271645 1034226308 /nfs/dbraw/zinc/22/63/08/1034226308.db2.gz GUDHJTYGNVFWHI-MLNNCEHLSA-N 2 1 385.600 3.834 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001207286815 1034238147 /nfs/dbraw/zinc/23/81/47/1034238147.db2.gz MWHTVQSBAUPRGM-RTBURBONSA-N 2 1 388.449 3.626 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)CC2)cc1 ZINC001207291226 1034242547 /nfs/dbraw/zinc/24/25/47/1034242547.db2.gz MWQKVZGMNRTNSU-UBFVSLLYSA-N 2 1 398.591 3.947 20 0 GHADMP O=C1[C@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccsc1 ZINC001207291646 1034243716 /nfs/dbraw/zinc/24/37/16/1034243716.db2.gz UYCCEWBDPJQFPO-UNMCSNQZSA-N 2 1 395.572 3.555 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCN4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001207294375 1034247146 /nfs/dbraw/zinc/24/71/46/1034247146.db2.gz QADYBPPVEFTGNM-VWLOTQADSA-N 2 1 375.560 3.814 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001230887468 1034273487 /nfs/dbraw/zinc/27/34/87/1034273487.db2.gz ZFFHISCPZSGZPK-JBACZVJFSA-N 2 1 386.584 3.726 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001230887468 1034273491 /nfs/dbraw/zinc/27/34/91/1034273491.db2.gz ZFFHISCPZSGZPK-JBACZVJFSA-N 2 1 386.584 3.726 20 0 GHADMP FC1(F)CCC(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001207347004 1034293146 /nfs/dbraw/zinc/29/31/46/1034293146.db2.gz NALGANQGRNPREA-UHFFFAOYSA-N 2 1 393.522 3.822 20 0 GHADMP CC1(C)C[C@@H](C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359484 1034305776 /nfs/dbraw/zinc/30/57/76/1034305776.db2.gz VHWAKYFBOLJJTE-GHTZIAJQSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@@H](C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359484 1034305791 /nfs/dbraw/zinc/30/57/91/1034305791.db2.gz VHWAKYFBOLJJTE-GHTZIAJQSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359484 1034305808 /nfs/dbraw/zinc/30/58/08/1034305808.db2.gz VHWAKYFBOLJJTE-GHTZIAJQSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359484 1034305827 /nfs/dbraw/zinc/30/58/27/1034305827.db2.gz VHWAKYFBOLJJTE-GHTZIAJQSA-N 2 1 393.522 3.820 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001207435717 1034369577 /nfs/dbraw/zinc/36/95/77/1034369577.db2.gz KTOSIYMYIMCUHM-ZJSXRUAMSA-N 2 1 399.579 3.713 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001207482082 1034391716 /nfs/dbraw/zinc/39/17/16/1034391716.db2.gz SZGVCGAKFPVHRQ-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)CC1 ZINC001207483249 1034393622 /nfs/dbraw/zinc/39/36/22/1034393622.db2.gz VHHSKTRKQBLPTF-NRFANRHFSA-N 2 1 377.523 3.956 20 0 GHADMP COc1cccc(CCC[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001207560232 1034448715 /nfs/dbraw/zinc/44/87/15/1034448715.db2.gz CRIMKDMHRQLAKY-OAQYLSRUSA-N 2 1 398.547 3.976 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207588346 1034466612 /nfs/dbraw/zinc/46/66/12/1034466612.db2.gz MSXNEBGMAYSBDR-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207588346 1034466625 /nfs/dbraw/zinc/46/66/25/1034466625.db2.gz MSXNEBGMAYSBDR-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCCc3cccc(Cl)c3)C2)C1 ZINC001207588346 1034466630 /nfs/dbraw/zinc/46/66/30/1034466630.db2.gz MSXNEBGMAYSBDR-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP Nc1[nH+]cccc1N(/C=C/C1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC001159229804 1034495375 /nfs/dbraw/zinc/49/53/75/1034495375.db2.gz IBDJZZJACAZNFB-XYOKQWHBSA-N 2 1 387.325 3.946 20 0 GHADMP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2cccc(CC[NH+]3CCOCC3)c2)C1 ZINC001159388628 1034574433 /nfs/dbraw/zinc/57/44/33/1034574433.db2.gz IUSPRRYGFQBEDM-CEWLAPEOSA-N 2 1 394.563 3.931 20 0 GHADMP Cc1cc(N(C)C)[nH+]cc1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001159576657 1034676553 /nfs/dbraw/zinc/67/65/53/1034676553.db2.gz UHMNUBIBAGXDHW-UHFFFAOYSA-N 2 1 379.430 3.628 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@@H](C)Cc1ccc3c(c1)OCO3)[C@@H]2C ZINC001208213226 1034803703 /nfs/dbraw/zinc/80/37/03/1034803703.db2.gz HJFUQWZGZWIWDK-ZWKOTPCHSA-N 2 1 398.551 3.707 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)c2ccccc12 ZINC001208239788 1034828897 /nfs/dbraw/zinc/82/88/97/1034828897.db2.gz JRRMVLOCHVBOGH-SFHVURJKSA-N 2 1 398.551 3.728 20 0 GHADMP Fc1ccc(N2CC[NH2+]CC2)c(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001160045388 1034841603 /nfs/dbraw/zinc/84/16/03/1034841603.db2.gz GTKQZFPWHZBAKY-YADHBBJMSA-N 2 1 392.522 3.968 20 0 GHADMP C(Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)[C@H]1CCCC[NH2+]1 ZINC001160150489 1034879792 /nfs/dbraw/zinc/87/97/92/1034879792.db2.gz JGWPUDDHUXUGBI-OAHLLOKOSA-N 2 1 385.581 3.720 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208626313 1034959162 /nfs/dbraw/zinc/95/91/62/1034959162.db2.gz KNMCFMCIGOXHKL-DEOSSOPVSA-N 2 1 399.579 3.841 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C[C@H]3COC4(CCCCC4)O3)C[C@@H]21 ZINC001208637988 1034964424 /nfs/dbraw/zinc/96/44/24/1034964424.db2.gz CIZWLLPKNNNSTK-XXTHSBEZSA-N 2 1 399.579 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C[C@H]3COC4(CCCCC4)O3)C[C@@H]21 ZINC001208637988 1034964429 /nfs/dbraw/zinc/96/44/29/1034964429.db2.gz CIZWLLPKNNNSTK-XXTHSBEZSA-N 2 1 399.579 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C[C@H]3COC4(CCCCC4)O3)C[C@@H]21 ZINC001208637988 1034964431 /nfs/dbraw/zinc/96/44/31/1034964431.db2.gz CIZWLLPKNNNSTK-XXTHSBEZSA-N 2 1 399.579 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C[C@H]3COC4(CCCCC4)O3)C[C@@H]21 ZINC001208637988 1034964433 /nfs/dbraw/zinc/96/44/33/1034964433.db2.gz CIZWLLPKNNNSTK-XXTHSBEZSA-N 2 1 399.579 3.690 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc(C(F)F)c1)CC2 ZINC001231889848 1034971076 /nfs/dbraw/zinc/97/10/76/1034971076.db2.gz WNGJRSZGCDEROE-KRWDZBQOSA-N 2 1 391.462 3.868 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CCC(C)(C)c1ccccc1)CCC2 ZINC001208667446 1034975653 /nfs/dbraw/zinc/97/56/53/1034975653.db2.gz XGEUOEJZQFMFKS-UHFFFAOYSA-N 2 1 396.579 3.657 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CCC(C)(C)c1ccccc1)CCC2 ZINC001208667446 1034975660 /nfs/dbraw/zinc/97/56/60/1034975660.db2.gz XGEUOEJZQFMFKS-UHFFFAOYSA-N 2 1 396.579 3.657 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CCC(C)(C)c1ccccc1)CCC2 ZINC001208667446 1034975666 /nfs/dbraw/zinc/97/56/66/1034975666.db2.gz XGEUOEJZQFMFKS-UHFFFAOYSA-N 2 1 396.579 3.657 20 0 GHADMP Fc1ccc(CCC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001208768902 1035011723 /nfs/dbraw/zinc/01/17/23/1035011723.db2.gz XFJSUECJAIARBR-NHTMILBNSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1ccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001208768902 1035011730 /nfs/dbraw/zinc/01/17/30/1035011730.db2.gz XFJSUECJAIARBR-NHTMILBNSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1ccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001208768902 1035011735 /nfs/dbraw/zinc/01/17/35/1035011735.db2.gz XFJSUECJAIARBR-NHTMILBNSA-N 2 1 396.554 3.830 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001208779305 1035017581 /nfs/dbraw/zinc/01/75/81/1035017581.db2.gz FFUMYGUAVMRMIK-UYAOXDASSA-N 2 1 376.541 3.935 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(C)n1 ZINC001231997348 1035032211 /nfs/dbraw/zinc/03/22/11/1035032211.db2.gz AVDYCFUTZVGMHN-HSZRJFAPSA-N 2 1 379.548 3.954 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@H+]3CCCOCC3)CC2)cc1 ZINC001208815234 1035035779 /nfs/dbraw/zinc/03/57/79/1035035779.db2.gz LMYCTSPWFXYBLB-UHFFFAOYSA-N 2 1 388.552 3.576 20 0 GHADMP CO[C@H]1CC[N@@H+](CC2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)C1 ZINC001208817819 1035036872 /nfs/dbraw/zinc/03/68/72/1035036872.db2.gz PDWWQPJMFZNGQF-NRFANRHFSA-N 2 1 388.552 3.575 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]2CF)CC1 ZINC001232011362 1035041836 /nfs/dbraw/zinc/04/18/36/1035041836.db2.gz CFRXBLFLTVYQIJ-WBVHZDCISA-N 2 1 388.487 3.638 20 0 GHADMP Cc1nc(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc4c[nH+]ccc4[nH]3)O2)cs1 ZINC001232014019 1035043931 /nfs/dbraw/zinc/04/39/31/1035043931.db2.gz FTKOVSFLPYTONI-HMXCVIKNSA-N 2 1 398.532 3.667 20 0 GHADMP COC(=O)c1ccc(-c2ccc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)[nH+]c2C)cc1 ZINC001160745622 1035053075 /nfs/dbraw/zinc/05/30/75/1035053075.db2.gz YEWZJQNWGLYRJF-SJORKVTESA-N 2 1 393.409 3.796 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccccc1Cl)C2 ZINC001208875367 1035073095 /nfs/dbraw/zinc/07/30/95/1035073095.db2.gz UZFMQLZCAGSDCD-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCc1ccccc1Cl)C2 ZINC001208875367 1035073106 /nfs/dbraw/zinc/07/31/06/1035073106.db2.gz UZFMQLZCAGSDCD-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCc1ccccc1Cl)C2 ZINC001208875367 1035073113 /nfs/dbraw/zinc/07/31/13/1035073113.db2.gz UZFMQLZCAGSDCD-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208931547 1035094683 /nfs/dbraw/zinc/09/46/83/1035094683.db2.gz AGEIBQNRSKJHIW-FQEVSTJZSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208931547 1035094688 /nfs/dbraw/zinc/09/46/88/1035094688.db2.gz AGEIBQNRSKJHIW-FQEVSTJZSA-N 2 1 399.579 3.888 20 0 GHADMP COC(=O)N1CCC2(CC1)CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930351 1035095286 /nfs/dbraw/zinc/09/52/86/1035095286.db2.gz AEJORXYEOTVJHX-JOCHJYFZSA-N 2 1 399.579 3.843 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933204 1035097113 /nfs/dbraw/zinc/09/71/13/1035097113.db2.gz UUGBFUSAPTWDEN-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933204 1035097123 /nfs/dbraw/zinc/09/71/23/1035097123.db2.gz UUGBFUSAPTWDEN-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933204 1035097130 /nfs/dbraw/zinc/09/71/30/1035097130.db2.gz UUGBFUSAPTWDEN-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208933607 1035098929 /nfs/dbraw/zinc/09/89/29/1035098929.db2.gz FWJZIKVTGKPRMG-BJKOFHAPSA-N 2 1 383.580 3.766 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208933607 1035098940 /nfs/dbraw/zinc/09/89/40/1035098940.db2.gz FWJZIKVTGKPRMG-BJKOFHAPSA-N 2 1 383.580 3.766 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208933607 1035098946 /nfs/dbraw/zinc/09/89/46/1035098946.db2.gz FWJZIKVTGKPRMG-BJKOFHAPSA-N 2 1 383.580 3.766 20 0 GHADMP CC(C)N1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC001208939092 1035108181 /nfs/dbraw/zinc/10/81/81/1035108181.db2.gz BTWLVMUNYCFWDM-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3CN(C[C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946985 1035117435 /nfs/dbraw/zinc/11/74/35/1035117435.db2.gz SGNZWBPKZBYGPP-TWJOJJKGSA-N 2 1 389.587 3.881 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)c1 ZINC001232148028 1035126405 /nfs/dbraw/zinc/12/64/05/1035126405.db2.gz FUWCIHDCILQZHI-OFNKIYASSA-N 2 1 383.511 3.963 20 0 GHADMP CC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232150100 1035129050 /nfs/dbraw/zinc/12/90/50/1035129050.db2.gz SNXWUBKGOFXFTB-IBGZPJMESA-N 2 1 379.520 3.719 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957166 1035129871 /nfs/dbraw/zinc/12/98/71/1035129871.db2.gz DDVXYVVQLAFGFT-FYYLOGMGSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957166 1035129877 /nfs/dbraw/zinc/12/98/77/1035129877.db2.gz DDVXYVVQLAFGFT-FYYLOGMGSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208957166 1035129881 /nfs/dbraw/zinc/12/98/81/1035129881.db2.gz DDVXYVVQLAFGFT-FYYLOGMGSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957166 1035129885 /nfs/dbraw/zinc/12/98/85/1035129885.db2.gz DDVXYVVQLAFGFT-FYYLOGMGSA-N 2 1 389.543 3.629 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151429 1035129912 /nfs/dbraw/zinc/12/99/12/1035129912.db2.gz NOOIDARYVWTQDK-DNVCBOLYSA-N 2 1 379.520 3.765 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151429 1035129922 /nfs/dbraw/zinc/12/99/22/1035129922.db2.gz NOOIDARYVWTQDK-DNVCBOLYSA-N 2 1 379.520 3.765 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1F ZINC001208959783 1035131361 /nfs/dbraw/zinc/13/13/61/1035131361.db2.gz TXUGZNJOUGXRFU-LEWJYISDSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1F ZINC001208959783 1035131367 /nfs/dbraw/zinc/13/13/67/1035131367.db2.gz TXUGZNJOUGXRFU-LEWJYISDSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1F ZINC001208959783 1035131374 /nfs/dbraw/zinc/13/13/74/1035131374.db2.gz TXUGZNJOUGXRFU-LEWJYISDSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1F ZINC001208959783 1035131378 /nfs/dbraw/zinc/13/13/78/1035131378.db2.gz TXUGZNJOUGXRFU-LEWJYISDSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1)c1cccc(F)c1 ZINC001208960300 1035132033 /nfs/dbraw/zinc/13/20/33/1035132033.db2.gz VPQWWLPESKHAMA-NZQKXSOJSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1)c1cccc(F)c1 ZINC001208960300 1035132037 /nfs/dbraw/zinc/13/20/37/1035132037.db2.gz VPQWWLPESKHAMA-NZQKXSOJSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1)c1cccc(F)c1 ZINC001208960300 1035132041 /nfs/dbraw/zinc/13/20/41/1035132041.db2.gz VPQWWLPESKHAMA-NZQKXSOJSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1)c1cccc(F)c1 ZINC001208960300 1035132045 /nfs/dbraw/zinc/13/20/45/1035132045.db2.gz VPQWWLPESKHAMA-NZQKXSOJSA-N 2 1 395.522 3.542 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962748 1035133406 /nfs/dbraw/zinc/13/34/06/1035133406.db2.gz LFHTZSQLQIADSK-PUHATCMVSA-N 2 1 378.516 3.745 20 0 GHADMP COC(=O)[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962748 1035133414 /nfs/dbraw/zinc/13/34/14/1035133414.db2.gz LFHTZSQLQIADSK-PUHATCMVSA-N 2 1 378.516 3.745 20 0 GHADMP COC(=O)[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208962748 1035133421 /nfs/dbraw/zinc/13/34/21/1035133421.db2.gz LFHTZSQLQIADSK-PUHATCMVSA-N 2 1 378.516 3.745 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001209004705 1035145844 /nfs/dbraw/zinc/14/58/44/1035145844.db2.gz QHVVUSDTYBNXJT-FIXSFTCYSA-N 2 1 384.564 3.954 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001209004705 1035145851 /nfs/dbraw/zinc/14/58/51/1035145851.db2.gz QHVVUSDTYBNXJT-FIXSFTCYSA-N 2 1 384.564 3.954 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001209004705 1035145857 /nfs/dbraw/zinc/14/58/57/1035145857.db2.gz QHVVUSDTYBNXJT-FIXSFTCYSA-N 2 1 384.564 3.954 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001209007187 1035147668 /nfs/dbraw/zinc/14/76/68/1035147668.db2.gz VZMSAGCEXYOTRT-XUTJKUGGSA-N 2 1 388.552 3.937 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CC1CCC3(CC1)OCCO3)CC2 ZINC001209099023 1035173143 /nfs/dbraw/zinc/17/31/43/1035173143.db2.gz MHPBCHTYKZGGTN-OAQYLSRUSA-N 2 1 388.552 3.889 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209116219 1035180406 /nfs/dbraw/zinc/18/04/06/1035180406.db2.gz JXRIHVKDKDZTQV-SFTDATJTSA-N 2 1 396.497 3.928 20 0 GHADMP CC(C)(C)CN(C(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161258614 1035195510 /nfs/dbraw/zinc/19/55/10/1035195510.db2.gz NOSOTUNMWBDSQZ-UHFFFAOYSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](CCc2cccs2)CC1 ZINC001209225113 1035211373 /nfs/dbraw/zinc/21/13/73/1035211373.db2.gz OAQBJSHGAIWPML-UHFFFAOYSA-N 2 1 397.588 3.541 20 0 GHADMP CC/C=C\CCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209285803 1035231128 /nfs/dbraw/zinc/23/11/28/1035231128.db2.gz OKZYZTJMNXRHQM-ARJAWSKDSA-N 2 1 386.584 3.962 20 0 GHADMP CC/C=C\CCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209285803 1035231129 /nfs/dbraw/zinc/23/11/29/1035231129.db2.gz OKZYZTJMNXRHQM-ARJAWSKDSA-N 2 1 386.584 3.962 20 0 GHADMP C[C@@H]1CC(C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001209379031 1035261678 /nfs/dbraw/zinc/26/16/78/1035261678.db2.gz GRKIOSXEJYZXSO-OPYAIIAOSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1CC(C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001209379031 1035261682 /nfs/dbraw/zinc/26/16/82/1035261682.db2.gz GRKIOSXEJYZXSO-OPYAIIAOSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001209379031 1035261687 /nfs/dbraw/zinc/26/16/87/1035261687.db2.gz GRKIOSXEJYZXSO-OPYAIIAOSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001209379031 1035261690 /nfs/dbraw/zinc/26/16/90/1035261690.db2.gz GRKIOSXEJYZXSO-OPYAIIAOSA-N 2 1 393.522 3.818 20 0 GHADMP [NH3+]CCN(c1ccc(F)cc1)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001161877230 1035319772 /nfs/dbraw/zinc/31/97/72/1035319772.db2.gz CBRSZVPWBPICOD-UHFFFAOYSA-N 2 1 376.479 3.876 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209591812 1035321104 /nfs/dbraw/zinc/32/11/04/1035321104.db2.gz RWRIVGDEZMIWKM-UHFFFAOYSA-N 2 1 375.520 3.754 20 0 GHADMP Cc1cc(-c2cnn(C3CC[NH2+]CC3)c2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001241772283 1035692388 /nfs/dbraw/zinc/69/23/88/1035692388.db2.gz JLIIZWBORUUGDZ-UHFFFAOYSA-N 2 1 387.531 3.736 20 0 GHADMP C[NH+](C)CCCNC(=O)c1ccc(-c2ccc([C@H]3CCCC[N@H+]3C)cn2)cc1 ZINC001241781340 1035698328 /nfs/dbraw/zinc/69/83/28/1035698328.db2.gz BTIOVRDGRZXKBV-JOCHJYFZSA-N 2 1 380.536 3.587 20 0 GHADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC001241877324 1035735876 /nfs/dbraw/zinc/73/58/76/1035735876.db2.gz LGGOUFUDKOHXFS-HSZRJFAPSA-N 2 1 392.547 3.683 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC001241877324 1035735892 /nfs/dbraw/zinc/73/58/92/1035735892.db2.gz LGGOUFUDKOHXFS-HSZRJFAPSA-N 2 1 392.547 3.683 20 0 GHADMP Cc1ccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)cccc2n1 ZINC001248560042 1035956988 /nfs/dbraw/zinc/95/69/88/1035956988.db2.gz GHUWHSDXNVOCAE-UHFFFAOYSA-N 2 1 389.547 3.784 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248743455 1036101622 /nfs/dbraw/zinc/10/16/22/1036101622.db2.gz WMMDITTXCOWYHY-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248743455 1036101634 /nfs/dbraw/zinc/10/16/34/1036101634.db2.gz WMMDITTXCOWYHY-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248743455 1036101646 /nfs/dbraw/zinc/10/16/46/1036101646.db2.gz WMMDITTXCOWYHY-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248743455 1036101657 /nfs/dbraw/zinc/10/16/57/1036101657.db2.gz WMMDITTXCOWYHY-BGYRXZFFSA-N 2 1 385.552 3.758 20 0 GHADMP OC1C[NH+](Cc2ccc(-c3ccc4[nH]cc(CC[NH+]5CCCC5)c4c3)cc2)C1 ZINC001243641031 1036230682 /nfs/dbraw/zinc/23/06/82/1036230682.db2.gz QKOQEKICGQZNCE-UHFFFAOYSA-N 2 1 375.516 3.650 20 0 GHADMP COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001244286277 1036460308 /nfs/dbraw/zinc/46/03/08/1036460308.db2.gz VNYBXRVCFZEJQQ-SFHVURJKSA-N 2 1 380.536 3.541 20 0 GHADMP c1ccc(C[N@H+]2CCc3c(ccnc3C3=CC[C@H]([NH+]4CCOCC4)CC3)C2)cc1 ZINC001245420227 1036916702 /nfs/dbraw/zinc/91/67/02/1036916702.db2.gz VEZAKVREUSABOS-QHCPKHFHSA-N 2 1 389.543 3.908 20 0 GHADMP Cc1nc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4scnc4C)CC[C@@H]3C2)sc1C ZINC001278411419 1036957910 /nfs/dbraw/zinc/95/79/10/1036957910.db2.gz KKVQERLFHUCPCP-CALCHBBNSA-N 2 1 376.595 3.869 20 0 GHADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)sc1C ZINC001278411419 1036957919 /nfs/dbraw/zinc/95/79/19/1036957919.db2.gz KKVQERLFHUCPCP-CALCHBBNSA-N 2 1 376.595 3.869 20 0 GHADMP Cc1nc(C[NH+]2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)sc1C ZINC001278411419 1036957924 /nfs/dbraw/zinc/95/79/24/1036957924.db2.gz KKVQERLFHUCPCP-CALCHBBNSA-N 2 1 376.595 3.869 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC001245958898 1037082052 /nfs/dbraw/zinc/08/20/52/1037082052.db2.gz JHYOVQAYSMLGEU-QFBILLFUSA-N 2 1 377.822 3.509 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1c2ccccc2-c2ccccc21 ZINC001245983474 1037107422 /nfs/dbraw/zinc/10/74/22/1037107422.db2.gz SIZCGUXXUKVBGD-FCHUYYIVSA-N 2 1 380.438 3.555 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001246019811 1037137892 /nfs/dbraw/zinc/13/78/92/1037137892.db2.gz ANHPHOCGOMNLDV-GOSISDBHSA-N 2 1 393.531 3.669 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246017881 1037138981 /nfs/dbraw/zinc/13/89/81/1037138981.db2.gz BWLDDARUDBNJKP-APWZRJJASA-N 2 1 388.930 3.966 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246036990 1037151872 /nfs/dbraw/zinc/15/18/72/1037151872.db2.gz WBWCDPUWPSZTPN-YADHBBJMSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246036990 1037151884 /nfs/dbraw/zinc/15/18/84/1037151884.db2.gz WBWCDPUWPSZTPN-YADHBBJMSA-N 2 1 394.987 3.504 20 0 GHADMP C[N@@H+](CC[C@@H](c1cccs1)c1ccc(O)c2ccccc21)C[C@]1(O)CC[NH2+]C1 ZINC001246054570 1037167862 /nfs/dbraw/zinc/16/78/62/1037167862.db2.gz JVXDYCVEBBKSHE-OFNKIYASSA-N 2 1 396.556 3.785 20 0 GHADMP [NH3+]C1CCC([N@H+](Cc2ccccc2)C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001246059568 1037173813 /nfs/dbraw/zinc/17/38/13/1037173813.db2.gz AUPGCYUHGWOALH-XVAXZDLZSA-N 2 1 388.939 3.852 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246066574 1037181467 /nfs/dbraw/zinc/18/14/67/1037181467.db2.gz KSHVCJWEYBVDDT-YPAWHYETSA-N 2 1 386.511 3.646 20 0 GHADMP Fc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246136182 1037210357 /nfs/dbraw/zinc/21/03/57/1037210357.db2.gz COZAEQBGDLLAPK-HFMPRLQTSA-N 2 1 393.550 3.845 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC001246180670 1037224242 /nfs/dbraw/zinc/22/42/42/1037224242.db2.gz QOXWRINNOQODCS-NZQKXSOJSA-N 3 1 385.527 3.657 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[NH2+]C3(CCCCC3)C2)c2ccccc12 ZINC001246196057 1037233522 /nfs/dbraw/zinc/23/35/22/1037233522.db2.gz DQLGDTSQDGSYJR-UYAOXDASSA-N 2 1 383.536 3.702 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N[C@@H]3CC4(CC[NH2+]CC4)c4ccccc43)CC[NH2+]2)cc1 ZINC001246256269 1037256593 /nfs/dbraw/zinc/25/65/93/1037256593.db2.gz NVBPSOHMVCYYBP-PQNGQFLHSA-N 2 1 375.560 3.706 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001246260611 1037261168 /nfs/dbraw/zinc/26/11/68/1037261168.db2.gz JTJPBFSZGCKWNG-QFIPXVFZSA-N 2 1 390.616 3.691 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001246260610 1037262360 /nfs/dbraw/zinc/26/23/60/1037262360.db2.gz JTJPBFSZGCKWNG-JOCHJYFZSA-N 2 1 390.616 3.691 20 0 GHADMP CCOC(=O)C1=C(NC2C[C@@H](CC)[NH2+][C@H](CC)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246291442 1037280722 /nfs/dbraw/zinc/28/07/22/1037280722.db2.gz LPANNUMMJKSZPE-WOJBJXKFSA-N 2 1 399.579 3.608 20 0 GHADMP OCC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(Br)c1 ZINC001246358932 1037318060 /nfs/dbraw/zinc/31/80/60/1037318060.db2.gz RLXCHCSGMBQACD-XUVXKRRUSA-N 2 1 389.337 3.956 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3F)C2)CC[NH2+]1 ZINC001246362449 1037321433 /nfs/dbraw/zinc/32/14/33/1037321433.db2.gz SSAYPZQHAASCJW-TXTKFYIRSA-N 2 1 385.502 3.930 20 0 GHADMP C[C@H]1CC([NH2+]CC2CCN(Cc3ccccc3Br)CC2)C[C@H](C)[NH2+]1 ZINC001246363669 1037325097 /nfs/dbraw/zinc/32/50/97/1037325097.db2.gz FUDPHGFPHDNGQD-HOTGVXAUSA-N 2 1 394.401 3.780 20 0 GHADMP COc1ccccc1C1(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246375554 1037333354 /nfs/dbraw/zinc/33/33/54/1037333354.db2.gz IMIFEXLYZVRHPV-CTNGQTDRSA-N 2 1 379.548 3.527 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)cc1 ZINC001246378498 1037336340 /nfs/dbraw/zinc/33/63/40/1037336340.db2.gz RTCAIIYSEOZAHJ-INIZCTEOSA-N 2 1 386.923 3.926 20 0 GHADMP COc1ccc(C2(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246379398 1037337156 /nfs/dbraw/zinc/33/71/56/1037337156.db2.gz DJNLYATXVOSYOU-DENIHFKCSA-N 2 1 379.548 3.527 20 0 GHADMP COc1ccc(C2(N[C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[NH2+]CC2)cc1 ZINC001246381352 1037341431 /nfs/dbraw/zinc/34/14/31/1037341431.db2.gz PWHVVLYMNXSFGS-HSZRJFAPSA-N 2 1 393.575 3.918 20 0 GHADMP COc1ccccc1CC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246419785 1037377411 /nfs/dbraw/zinc/37/74/11/1037377411.db2.gz IVOGCMHBVHAPLJ-XZOQPEGZSA-N 3 1 393.575 3.690 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3C(F)(F)F)CC[NH2+]CC1)C2 ZINC001246421915 1037378778 /nfs/dbraw/zinc/37/87/78/1037378778.db2.gz GLIBFFGXWPLIFB-BCDXTJNWSA-N 3 1 395.513 3.932 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3C(F)(F)F)CC[NH2+]CC1)C2 ZINC001246421915 1037378796 /nfs/dbraw/zinc/37/87/96/1037378796.db2.gz GLIBFFGXWPLIFB-BCDXTJNWSA-N 2 1 395.513 3.932 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246436056 1037399302 /nfs/dbraw/zinc/39/93/02/1037399302.db2.gz WMFNHGVDDPWPEQ-SFHVURJKSA-N 3 1 383.502 3.692 20 0 GHADMP CN1CCC[C@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246436056 1037399314 /nfs/dbraw/zinc/39/93/14/1037399314.db2.gz WMFNHGVDDPWPEQ-SFHVURJKSA-N 2 1 383.502 3.692 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246476934 1037426024 /nfs/dbraw/zinc/42/60/24/1037426024.db2.gz DTWJOEULDNMCDA-NQIIRXRSSA-N 2 1 386.561 3.776 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1CCc2c(F)cccc2C1)C(=O)OCc1ccccc1 ZINC001246483819 1037429825 /nfs/dbraw/zinc/42/98/25/1037429825.db2.gz DFBMIMRQVFHUBV-SIKLNZKXSA-N 2 1 384.495 3.514 20 0 GHADMP C[NH2+]CC[C@H](C)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 ZINC001246489960 1037434383 /nfs/dbraw/zinc/43/43/83/1037434383.db2.gz ZVHLZSQLLABSSP-SBUREZEXSA-N 2 1 391.515 3.683 20 0 GHADMP COC(=O)C1C[C@@H]2CC([NH+]3CCC(CCCc4ccccc4)CC3)C[C@H](C1)[NH2+]2 ZINC001246536208 1037471241 /nfs/dbraw/zinc/47/12/41/1037471241.db2.gz NJSKVPFYXWPITA-XXXUMOOBSA-N 2 1 384.564 3.794 20 0 GHADMP C[C@H]1C[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CCC[C@H]1C[NH3+] ZINC001246567457 1037484135 /nfs/dbraw/zinc/48/41/35/1037484135.db2.gz KVRYRQOEDNFHGG-HOTGVXAUSA-N 2 1 380.374 3.725 20 0 GHADMP C[N@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246594887 1037492113 /nfs/dbraw/zinc/49/21/13/1037492113.db2.gz NCYGJVGPTKUXJA-ILBGXUMGSA-N 2 1 377.576 3.946 20 0 GHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246594887 1037492134 /nfs/dbraw/zinc/49/21/34/1037492134.db2.gz NCYGJVGPTKUXJA-ILBGXUMGSA-N 2 1 377.576 3.946 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)CC2)cc1 ZINC001246603018 1037498632 /nfs/dbraw/zinc/49/86/32/1037498632.db2.gz LQQLLNMURSYHHN-DEOSSOPVSA-N 2 1 399.579 3.546 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H](C)Cc1ccccc1OC)CC2 ZINC001246637298 1037523702 /nfs/dbraw/zinc/52/37/02/1037523702.db2.gz NINIURZSMDAONB-GOSISDBHSA-N 2 1 380.532 3.772 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCCC[C@@]34CC[NH2+]C4)CC[C@H]2C1 ZINC001246642755 1037524057 /nfs/dbraw/zinc/52/40/57/1037524057.db2.gz JMMZUQRKHXUKMW-CDNNERCOSA-N 2 1 381.564 3.535 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)CC1 ZINC001246672901 1037537121 /nfs/dbraw/zinc/53/71/21/1037537121.db2.gz MTJOYTGRNSBSKQ-XLYGXDRMSA-N 2 1 384.564 3.966 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001246686627 1037548753 /nfs/dbraw/zinc/54/87/53/1037548753.db2.gz SACZNRPHLPBCMP-QXWFJRNPSA-N 2 1 392.543 3.657 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)C[C@H](CC)[NH2+]1 ZINC001246694875 1037553623 /nfs/dbraw/zinc/55/36/23/1037553623.db2.gz NWXFTWAOAVGMNT-PMOLBWCYSA-N 2 1 382.527 3.993 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246712639 1037564199 /nfs/dbraw/zinc/56/41/99/1037564199.db2.gz XKXXDLPRRJCPLI-FQOCKNPQSA-N 2 1 387.568 3.642 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246710794 1037565357 /nfs/dbraw/zinc/56/53/57/1037565357.db2.gz RLTMTOHDFANAAK-MQSCRBSSSA-N 2 1 399.579 3.786 20 0 GHADMP c1ccc(N2CCC[C@]3(C2)C[N@@H+](C2CCC4(CCC[NH2+]C4)CC2)CCO3)cc1 ZINC001246714261 1037567516 /nfs/dbraw/zinc/56/75/16/1037567516.db2.gz KAKXWKDFJDNKSU-VHYCJAOWSA-N 2 1 383.580 3.670 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](C2CCC4(CC[NH2+]C4)CC2)CCO3)c1 ZINC001246720190 1037569236 /nfs/dbraw/zinc/56/92/36/1037569236.db2.gz MSPUAAFJMXKNQP-HQNXYIODSA-N 2 1 383.580 3.589 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@H](CC)[NH2+]1 ZINC001246722390 1037571832 /nfs/dbraw/zinc/57/18/32/1037571832.db2.gz NQFXQODGTXPDIA-IIZPIQPGSA-N 2 1 389.609 3.985 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725512 1037575368 /nfs/dbraw/zinc/57/53/68/1037575368.db2.gz ZRFUSVAUDMIPLD-RZUBCFFCSA-N 2 1 389.609 3.987 20 0 GHADMP CC(C)[C@H]1C[C@H]([N@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC[NH2+]1 ZINC001246726686 1037575666 /nfs/dbraw/zinc/57/56/66/1037575666.db2.gz ASFVMZAYQSNQIH-IEBWSBKVSA-N 2 1 398.576 3.573 20 0 GHADMP CC(C)[C@H]1C[C@H]([N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC[NH2+]1 ZINC001246726686 1037575675 /nfs/dbraw/zinc/57/56/75/1037575675.db2.gz ASFVMZAYQSNQIH-IEBWSBKVSA-N 2 1 398.576 3.573 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)N1c1ccccc1 ZINC001246729337 1037578657 /nfs/dbraw/zinc/57/86/57/1037578657.db2.gz NUXBHELVOFKXEZ-MZURWIMNSA-N 2 1 389.543 3.620 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CC[NH2+]1 ZINC001246727148 1037578879 /nfs/dbraw/zinc/57/88/79/1037578879.db2.gz USEGMPSFMHIKSI-KGSLCBSSSA-N 2 1 375.601 3.943 20 0 GHADMP CCCC[C@@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750626 1037590504 /nfs/dbraw/zinc/59/05/04/1037590504.db2.gz ZSVPGIBLQLHSQS-DNQXCXABSA-N 2 1 399.623 3.973 20 0 GHADMP CCCC[C@@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750628 1037590562 /nfs/dbraw/zinc/59/05/62/1037590562.db2.gz ZSVPGIBLQLHSQS-RPWUZVMVSA-N 2 1 399.623 3.973 20 0 GHADMP CCCC[C@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750622 1037590629 /nfs/dbraw/zinc/59/06/29/1037590629.db2.gz ZSVPGIBLQLHSQS-BJKOFHAPSA-N 2 1 399.623 3.973 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CC[NH2+]1 ZINC001246756915 1037600098 /nfs/dbraw/zinc/60/00/98/1037600098.db2.gz UBNJKKLAMWPKPE-ANULTFPQSA-N 2 1 378.564 3.969 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)s1 ZINC001246759730 1037602251 /nfs/dbraw/zinc/60/22/51/1037602251.db2.gz SZOPUJUKZMWLHH-ZRCGQRJVSA-N 2 1 395.572 3.979 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)s1 ZINC001246759730 1037602254 /nfs/dbraw/zinc/60/22/54/1037602254.db2.gz SZOPUJUKZMWLHH-ZRCGQRJVSA-N 2 1 395.572 3.979 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)C1=O ZINC001246780616 1037621168 /nfs/dbraw/zinc/62/11/68/1037621168.db2.gz VKFPZLHHCTWYBR-YGOYIFOWSA-N 2 1 381.564 3.555 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246782664 1037623157 /nfs/dbraw/zinc/62/31/57/1037623157.db2.gz RETKQMIAGLQEMC-YPAWHYETSA-N 2 1 380.532 3.902 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246782664 1037623170 /nfs/dbraw/zinc/62/31/70/1037623170.db2.gz RETKQMIAGLQEMC-YPAWHYETSA-N 2 1 380.532 3.902 20 0 GHADMP CC[C@H]1CC([NH+]2CCN(Cc3cccc(Br)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246782872 1037623650 /nfs/dbraw/zinc/62/36/50/1037623650.db2.gz LWQBTFFMHTYFLC-OALUTQOASA-N 2 1 394.401 3.876 20 0 GHADMP CC[N@H+](CCC[NH+]1CCCC1)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462198233 1070076169 /nfs/dbraw/zinc/07/61/69/1070076169.db2.gz KDNOAEVFIBPQJW-OAHLLOKOSA-N 2 1 381.483 3.640 20 0 GHADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462198233 1070076182 /nfs/dbraw/zinc/07/61/82/1070076182.db2.gz KDNOAEVFIBPQJW-OAHLLOKOSA-N 2 1 381.483 3.640 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246822686 1037655409 /nfs/dbraw/zinc/65/54/09/1037655409.db2.gz MKKKHUDUKUPASL-MSOLQXFVSA-N 2 1 379.342 3.874 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC[C@@]2(CCC[NH+](CCC3CCOCC3)C2)C1 ZINC001278468954 1037681128 /nfs/dbraw/zinc/68/11/28/1037681128.db2.gz MJYKECIRQPRKKE-OAQYLSRUSA-N 2 1 377.598 3.946 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC[C@@]2(CCC[NH+](CCC3CCOCC3)C2)C1 ZINC001278468954 1037681136 /nfs/dbraw/zinc/68/11/36/1037681136.db2.gz MJYKECIRQPRKKE-OAQYLSRUSA-N 2 1 377.598 3.946 20 0 GHADMP Cc1ncsc1C[NH+]1CCC[C@@]2(CCC[N@H+](CCC3CCOCC3)C2)C1 ZINC001278468954 1037681144 /nfs/dbraw/zinc/68/11/44/1037681144.db2.gz MJYKECIRQPRKKE-OAQYLSRUSA-N 2 1 377.598 3.946 20 0 GHADMP Cc1ncsc1C[NH+]1CCC[C@@]2(CCC[N@@H+](CCC3CCOCC3)C2)C1 ZINC001278468954 1037681153 /nfs/dbraw/zinc/68/11/53/1037681153.db2.gz MJYKECIRQPRKKE-OAQYLSRUSA-N 2 1 377.598 3.946 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCN1Cc1ccccc1 ZINC001246880067 1037694521 /nfs/dbraw/zinc/69/45/21/1037694521.db2.gz PJYIWUQGUOJPNQ-GATIMQMVSA-N 2 1 375.560 3.513 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246880067 1037694535 /nfs/dbraw/zinc/69/45/35/1037694535.db2.gz PJYIWUQGUOJPNQ-GATIMQMVSA-N 2 1 375.560 3.513 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246880067 1037694546 /nfs/dbraw/zinc/69/45/46/1037694546.db2.gz PJYIWUQGUOJPNQ-GATIMQMVSA-N 2 1 375.560 3.513 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1CCC2(C[NH2+]C2)CC1 ZINC001246917046 1037722820 /nfs/dbraw/zinc/72/28/20/1037722820.db2.gz VHHMRAILEMMDDU-LEWJYISDSA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)CC1CCC([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246932292 1037735057 /nfs/dbraw/zinc/73/50/57/1037735057.db2.gz CLCXEDYVQCVGAE-FBPXKMNZSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246932292 1037735073 /nfs/dbraw/zinc/73/50/73/1037735073.db2.gz CLCXEDYVQCVGAE-FBPXKMNZSA-N 2 1 376.516 3.892 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc(OC)c1OC ZINC001246937822 1037741887 /nfs/dbraw/zinc/74/18/87/1037741887.db2.gz MVXWKFWDOAXAMK-QZTJIDSGSA-N 2 1 390.568 3.888 20 0 GHADMP CO[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)C1 ZINC001246937362 1037743522 /nfs/dbraw/zinc/74/35/22/1037743522.db2.gz LNLSMGZBNXZODY-MOPGFXCFSA-N 2 1 381.358 3.961 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC001246941177 1037747310 /nfs/dbraw/zinc/74/73/10/1037747310.db2.gz HNUCNRYOHCURHD-LOSJGSFVSA-N 3 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246941177 1037747323 /nfs/dbraw/zinc/74/73/23/1037747323.db2.gz HNUCNRYOHCURHD-LOSJGSFVSA-N 2 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246941177 1037747333 /nfs/dbraw/zinc/74/73/33/1037747333.db2.gz HNUCNRYOHCURHD-LOSJGSFVSA-N 2 1 395.566 3.991 20 0 GHADMP Fc1ccc(CN(C2CC[NH2+]CC2)[C@H]2CCC[N@H+](C3CCCC3)C2)cc1F ZINC001246954116 1037762227 /nfs/dbraw/zinc/76/22/27/1037762227.db2.gz GRRCMVSESUBZKW-FQEVSTJZSA-N 2 1 377.523 3.926 20 0 GHADMP Fc1ccc(CN(C2CC[NH2+]CC2)[C@H]2CCC[N@H+](C3CCCC3)C2)c(F)c1 ZINC001246957088 1037768871 /nfs/dbraw/zinc/76/88/71/1037768871.db2.gz YIDRESSFHHPEQF-NRFANRHFSA-N 2 1 377.523 3.926 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)C1 ZINC001246957549 1037770748 /nfs/dbraw/zinc/77/07/48/1037770748.db2.gz BUMQBTXHZIEFJN-LAUBAEHRSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246958768 1037773363 /nfs/dbraw/zinc/77/33/63/1037773363.db2.gz GWHWVUZBYCWRDM-YLJYHZDGSA-N 2 1 376.516 3.810 20 0 GHADMP COc1ccc(C[N@@H+]([C@@H](C)CCC(=O)OC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246965771 1037786828 /nfs/dbraw/zinc/78/68/28/1037786828.db2.gz QNXATVVWPPTOMZ-IHPCNDPISA-N 2 1 376.541 3.887 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246971597 1037794495 /nfs/dbraw/zinc/79/44/95/1037794495.db2.gz WBLRIEPDWPJJJB-IIAWOOMASA-N 2 1 386.462 3.648 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246971597 1037794509 /nfs/dbraw/zinc/79/45/09/1037794509.db2.gz WBLRIEPDWPJJJB-IIAWOOMASA-N 2 1 386.462 3.648 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)cc1 ZINC001246974339 1037798302 /nfs/dbraw/zinc/79/83/02/1037798302.db2.gz PUDALFNPCNPADB-IRLDBZIGSA-N 2 1 399.579 3.734 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)c1 ZINC001246975910 1037801515 /nfs/dbraw/zinc/80/15/15/1037801515.db2.gz DDXJBTVUCQFPLU-SIKLNZKXSA-N 2 1 398.526 3.589 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246993955 1037819117 /nfs/dbraw/zinc/81/91/17/1037819117.db2.gz AGUHWPHJBHMRHZ-CUWPLCDZSA-N 2 1 376.928 3.725 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246993955 1037819144 /nfs/dbraw/zinc/81/91/44/1037819144.db2.gz AGUHWPHJBHMRHZ-CUWPLCDZSA-N 2 1 376.928 3.725 20 0 GHADMP COC(=O)[C@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001247000413 1037824200 /nfs/dbraw/zinc/82/42/00/1037824200.db2.gz MGYDGQOMPLKOJY-BJESRGMDSA-N 2 1 378.516 3.586 20 0 GHADMP C[C@@H]1C[C@H](N2CCC3(CC2)[NH2+]CCc2ccccc23)C[N@H+]1Cc1ccccc1 ZINC001247001978 1037826964 /nfs/dbraw/zinc/82/69/64/1037826964.db2.gz KEDBWJYWVNJWSQ-OFNKIYASSA-N 2 1 375.560 3.786 20 0 GHADMP Fc1ccc2nc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001232414752 1038198106 /nfs/dbraw/zinc/19/81/06/1038198106.db2.gz ISGGKAVRNZRKQG-PMACEKPBSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1ccc2nc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001232414752 1038198112 /nfs/dbraw/zinc/19/81/12/1038198112.db2.gz ISGGKAVRNZRKQG-PMACEKPBSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1ccc2nc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001232414752 1038198119 /nfs/dbraw/zinc/19/81/19/1038198119.db2.gz ISGGKAVRNZRKQG-PMACEKPBSA-N 2 1 378.495 3.817 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3n[nH]c4cccc(C(=O)OC)c43)CC2)CC1 ZINC001232441789 1038221086 /nfs/dbraw/zinc/22/10/86/1038221086.db2.gz TUIHCICYNOOHOA-UHFFFAOYSA-N 2 1 398.551 3.684 20 0 GHADMP c1c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)onc1OCc1ccccc1 ZINC001232444707 1038225889 /nfs/dbraw/zinc/22/58/89/1038225889.db2.gz JMIMSUBAGXZSJQ-UHFFFAOYSA-N 2 1 399.535 3.578 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC001232528128 1038293411 /nfs/dbraw/zinc/29/34/11/1038293411.db2.gz KXGJEHDDYCLEOO-UHFFFAOYSA-N 2 1 375.314 3.595 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2Br)no1 ZINC001247699448 1038339149 /nfs/dbraw/zinc/33/91/49/1038339149.db2.gz QKBFNPSVEJHKHY-LLVKDONJSA-N 2 1 393.207 3.647 20 0 GHADMP Clc1ccnc2c(-c3noc([C@@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)cccc12 ZINC001247904389 1038476521 /nfs/dbraw/zinc/47/65/21/1038476521.db2.gz FASVYJOARPDPAC-CQSZACIVSA-N 2 1 397.910 3.870 20 0 GHADMP Fc1cc(C(F)(F)F)ccc1-c1noc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247905196 1038476579 /nfs/dbraw/zinc/47/65/79/1038476579.db2.gz CRCPENCGZONWPZ-LBPRGKRZSA-N 2 1 398.404 3.826 20 0 GHADMP Cc1c(F)ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1Cl ZINC001247904916 1038476689 /nfs/dbraw/zinc/47/66/89/1038476689.db2.gz CFBLHAXXAORVJH-ZDUSSCGKSA-N 2 1 378.879 3.769 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC001462310600 1070160883 /nfs/dbraw/zinc/16/08/83/1070160883.db2.gz CIGKPMYTGMOFSX-CBUFDYBVSA-N 2 1 382.504 3.858 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001462310600 1070160888 /nfs/dbraw/zinc/16/08/88/1070160888.db2.gz CIGKPMYTGMOFSX-CBUFDYBVSA-N 2 1 382.504 3.858 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCC1)c1ccccc1 ZINC001252069358 1038843138 /nfs/dbraw/zinc/84/31/38/1038843138.db2.gz QBQNSHMMAKAAAT-FPOVZHCZSA-N 2 1 384.568 3.530 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)ccc1Cl ZINC001278670739 1039022647 /nfs/dbraw/zinc/02/26/47/1039022647.db2.gz NFNAIQCGHSQSDT-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)ccc1Cl ZINC001278670739 1039022703 /nfs/dbraw/zinc/02/27/03/1039022703.db2.gz NFNAIQCGHSQSDT-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP CC[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001252917198 1039257422 /nfs/dbraw/zinc/25/74/22/1039257422.db2.gz OMEOXIJKDQSUBA-YKSBVNFPSA-N 2 1 382.548 3.585 20 0 GHADMP CC[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001252917198 1039257434 /nfs/dbraw/zinc/25/74/34/1039257434.db2.gz OMEOXIJKDQSUBA-YKSBVNFPSA-N 2 1 382.548 3.585 20 0 GHADMP CC[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001252917198 1039257444 /nfs/dbraw/zinc/25/74/44/1039257444.db2.gz OMEOXIJKDQSUBA-YKSBVNFPSA-N 2 1 382.548 3.585 20 0 GHADMP CC[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001252917198 1039257459 /nfs/dbraw/zinc/25/74/59/1039257459.db2.gz OMEOXIJKDQSUBA-YKSBVNFPSA-N 2 1 382.548 3.585 20 0 GHADMP O[C@@]1(C[NH2+]CCc2c(Cl)cccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252943174 1039287841 /nfs/dbraw/zinc/28/78/41/1039287841.db2.gz GGDLEOUZOFXICZ-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCc2c(Cl)cccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943174 1039287850 /nfs/dbraw/zinc/28/78/50/1039287850.db2.gz GGDLEOUZOFXICZ-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947701 1039291373 /nfs/dbraw/zinc/29/13/73/1039291373.db2.gz CXYLLFJGPZRTFM-DNQXCXABSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947701 1039291386 /nfs/dbraw/zinc/29/13/86/1039291386.db2.gz CXYLLFJGPZRTFM-DNQXCXABSA-N 2 1 398.522 3.520 20 0 GHADMP Cc1ccc2c(C[C@H](C)[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001252949148 1039293267 /nfs/dbraw/zinc/29/32/67/1039293267.db2.gz HWICKRPORMYLIZ-YADARESESA-N 2 1 377.532 3.634 20 0 GHADMP Cc1ccc2c(C[C@H](C)[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001252949148 1039293278 /nfs/dbraw/zinc/29/32/78/1039293278.db2.gz HWICKRPORMYLIZ-YADARESESA-N 2 1 377.532 3.634 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC12CCCCC2 ZINC001252995054 1039323980 /nfs/dbraw/zinc/32/39/80/1039323980.db2.gz XHFFILIOWDDADX-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@@](C)(O)c1ccccc1)CC2 ZINC001253099130 1039420521 /nfs/dbraw/zinc/42/05/21/1039420521.db2.gz FJXIKVZKFBRFJP-BJKOFHAPSA-N 2 1 394.559 3.650 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@](C)(O)c1ccccc1)CC2 ZINC001253098609 1039420583 /nfs/dbraw/zinc/42/05/83/1039420583.db2.gz WLGGVEHBPYJNMR-QFIPXVFZSA-N 2 1 383.536 3.630 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@](C)(O)c1ccccc1)CC2 ZINC001253098609 1039420591 /nfs/dbraw/zinc/42/05/91/1039420591.db2.gz WLGGVEHBPYJNMR-QFIPXVFZSA-N 2 1 383.536 3.630 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@@](C)(O)c1ccccc1)CC2 ZINC001253098608 1039421200 /nfs/dbraw/zinc/42/12/00/1039421200.db2.gz WLGGVEHBPYJNMR-JOCHJYFZSA-N 2 1 383.536 3.630 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](C[C@@](C)(O)c1ccccc1)CC2 ZINC001253098608 1039421209 /nfs/dbraw/zinc/42/12/09/1039421209.db2.gz WLGGVEHBPYJNMR-JOCHJYFZSA-N 2 1 383.536 3.630 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001253104025 1039427023 /nfs/dbraw/zinc/42/70/23/1039427023.db2.gz OMWXGZYYIYUMAF-XYPHTWIQSA-N 2 1 382.346 3.629 20 0 GHADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001253274135 1039518725 /nfs/dbraw/zinc/51/87/25/1039518725.db2.gz DZAYUDHMOSDUEQ-VWLOTQADSA-N 2 1 396.575 3.941 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001253274135 1039518738 /nfs/dbraw/zinc/51/87/38/1039518738.db2.gz DZAYUDHMOSDUEQ-VWLOTQADSA-N 2 1 396.575 3.941 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858792 1039667944 /nfs/dbraw/zinc/66/79/44/1039667944.db2.gz JQNDRTJNMRARGY-NSISKUIASA-N 2 1 399.560 3.647 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253999563 1039943583 /nfs/dbraw/zinc/94/35/83/1039943583.db2.gz GUBMASBYMYKZSI-LEWJYISDSA-N 2 1 390.568 3.554 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253999563 1039943586 /nfs/dbraw/zinc/94/35/86/1039943586.db2.gz GUBMASBYMYKZSI-LEWJYISDSA-N 2 1 390.568 3.554 20 0 GHADMP COc1ccccc1[C@@H]1CC[N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001254029090 1039963374 /nfs/dbraw/zinc/96/33/74/1039963374.db2.gz AOONKGSTEYNJPT-OAQYLSRUSA-N 2 1 380.532 3.512 20 0 GHADMP C[N@@H+](CCc1c[nH]c2ccccc12)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254041607 1039971458 /nfs/dbraw/zinc/97/14/58/1039971458.db2.gz MLBNAOMNOBIYKO-UHFFFAOYSA-N 2 1 377.532 3.669 20 0 GHADMP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC001254123812 1039998939 /nfs/dbraw/zinc/99/89/39/1039998939.db2.gz JETLQWJDZJHJEK-QHCPKHFHSA-N 2 1 398.595 3.747 20 0 GHADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462443414 1070256317 /nfs/dbraw/zinc/25/63/17/1070256317.db2.gz RAWNPHGDWYNKTQ-RTBURBONSA-N 2 1 397.563 3.838 20 0 GHADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462443414 1070256325 /nfs/dbraw/zinc/25/63/25/1070256325.db2.gz RAWNPHGDWYNKTQ-RTBURBONSA-N 2 1 397.563 3.838 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+]=C2CN(Cc2ccccc2)c2ccccc2)CC1 ZINC001254507180 1040286373 /nfs/dbraw/zinc/28/63/73/1040286373.db2.gz ITTGZTFSXXNESB-QHCPKHFHSA-N 2 1 376.548 3.892 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN([C@H]4CCC[N@@H+](C)CC4)CC3)CC2)c1 ZINC001254517424 1040293864 /nfs/dbraw/zinc/29/38/64/1040293864.db2.gz GQTYAKVBRZYJFS-QFIPXVFZSA-N 2 1 385.596 3.858 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC3)c1 ZINC001254517424 1040293883 /nfs/dbraw/zinc/29/38/83/1040293883.db2.gz GQTYAKVBRZYJFS-QFIPXVFZSA-N 3 1 385.596 3.858 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC3)c1 ZINC001254517424 1040293898 /nfs/dbraw/zinc/29/38/98/1040293898.db2.gz GQTYAKVBRZYJFS-QFIPXVFZSA-N 3 1 385.596 3.858 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234988735 1040486010 /nfs/dbraw/zinc/48/60/10/1040486010.db2.gz QVTISCIZXYWYLW-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC001234990723 1040486093 /nfs/dbraw/zinc/48/60/93/1040486093.db2.gz DRXKRNQNWGVGFI-QGZVFWFLSA-N 2 1 384.471 3.743 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)s1 ZINC001234990723 1040486105 /nfs/dbraw/zinc/48/61/05/1040486105.db2.gz DRXKRNQNWGVGFI-QGZVFWFLSA-N 2 1 384.471 3.743 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([NH+]3CCC([NH+]4CCC4)CC3)C2)CC1 ZINC001254752830 1040513135 /nfs/dbraw/zinc/51/31/35/1040513135.db2.gz IWQQELCJNWXQPN-LJQANCHMSA-N 2 1 377.573 3.726 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5ccc(C)cc5)C[C@H]4C3)cc2)o1 ZINC001235050205 1040541406 /nfs/dbraw/zinc/54/14/06/1040541406.db2.gz UAJOWZXKRQLQQF-GOTSBHOMSA-N 2 1 388.515 3.917 20 0 GHADMP Clc1cc(Cl)cc(-c2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235064678 1040553414 /nfs/dbraw/zinc/55/34/14/1040553414.db2.gz STUTVSLXGLNLPC-FQEVSTJZSA-N 2 1 376.331 3.798 20 0 GHADMP Clc1cc(Cl)cc(-c2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235064678 1040553428 /nfs/dbraw/zinc/55/34/28/1040553428.db2.gz STUTVSLXGLNLPC-FQEVSTJZSA-N 2 1 376.331 3.798 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254880276 1040630056 /nfs/dbraw/zinc/63/00/56/1040630056.db2.gz CCFHLUHNAPKQQN-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156206 1040647920 /nfs/dbraw/zinc/64/79/20/1040647920.db2.gz NEBBKUKZGZPJRB-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](C[C@@H]4CNCCO4)C3)CCC2)cc1 ZINC001235174282 1040665757 /nfs/dbraw/zinc/66/57/57/1040665757.db2.gz GRWFYVHKOYEUCB-QHCPKHFHSA-N 2 1 385.596 3.523 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230632 1040711660 /nfs/dbraw/zinc/71/16/60/1040711660.db2.gz VIEUBBUCJGNCLO-QGZVFWFLSA-N 2 1 391.357 3.690 20 0 GHADMP CCOc1ncc(Br)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235236679 1040717748 /nfs/dbraw/zinc/71/77/48/1040717748.db2.gz GXJSVIQTXGGSHV-QGZVFWFLSA-N 2 1 382.346 3.597 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001254999048 1040719948 /nfs/dbraw/zinc/71/99/48/1040719948.db2.gz GXYCEYQRTXHDQO-CKJAISPVSA-N 2 1 397.607 3.933 20 0 GHADMP O[C@@H]1CC[N@H+]([C@@H]2CC[C@]3(c4ccccc4)CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073868 1040767300 /nfs/dbraw/zinc/76/73/00/1040767300.db2.gz IMPKAAFBDGDUED-ZGFBMJKBSA-N 2 1 376.544 3.818 20 0 GHADMP O[C@@H]1CC[NH+]([C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073868 1040767312 /nfs/dbraw/zinc/76/73/12/1040767312.db2.gz IMPKAAFBDGDUED-ZGFBMJKBSA-N 2 1 376.544 3.818 20 0 GHADMP O[C@@H]1CC[NH+]([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255073868 1040767319 /nfs/dbraw/zinc/76/73/19/1040767319.db2.gz IMPKAAFBDGDUED-ZGFBMJKBSA-N 2 1 376.544 3.818 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1C)C2 ZINC001235322530 1040792373 /nfs/dbraw/zinc/79/23/73/1040792373.db2.gz YQASRHHQDDTJIQ-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP Fc1cc(Br)c(C(F)(F)F)cc1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341528 1040810965 /nfs/dbraw/zinc/81/09/65/1040810965.db2.gz PZMKOUDYGORBBL-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP Fc1cc(Br)c(C(F)(F)F)cc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235341528 1040810977 /nfs/dbraw/zinc/81/09/77/1040810977.db2.gz PZMKOUDYGORBBL-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2[C@H]4C[N@H+](Cc5ccccc5)C[C@H]42)C3)cc1 ZINC001255128075 1040820794 /nfs/dbraw/zinc/82/07/94/1040820794.db2.gz KGGYKXSBPFTAHW-JLIVDQDVSA-N 2 1 387.571 3.902 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001255128075 1040820804 /nfs/dbraw/zinc/82/08/04/1040820804.db2.gz KGGYKXSBPFTAHW-JLIVDQDVSA-N 2 1 387.571 3.902 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255128075 1040820811 /nfs/dbraw/zinc/82/08/11/1040820811.db2.gz KGGYKXSBPFTAHW-JLIVDQDVSA-N 2 1 387.571 3.902 20 0 GHADMP Oc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC001255137274 1040839071 /nfs/dbraw/zinc/83/90/71/1040839071.db2.gz QJOOFBGDVSRAEU-JKHIJQBDSA-N 2 1 377.532 3.710 20 0 GHADMP Oc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC001255137274 1040839076 /nfs/dbraw/zinc/83/90/76/1040839076.db2.gz QJOOFBGDVSRAEU-JKHIJQBDSA-N 2 1 377.532 3.710 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)nc1 ZINC001235360433 1040845665 /nfs/dbraw/zinc/84/56/65/1040845665.db2.gz CCAFWZIYUVAZQW-UYAOXDASSA-N 2 1 375.438 3.854 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)nc1 ZINC001235360433 1040845680 /nfs/dbraw/zinc/84/56/80/1040845680.db2.gz CCAFWZIYUVAZQW-UYAOXDASSA-N 2 1 375.438 3.854 20 0 GHADMP c1ccc(C2(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CCOCC2)cc1 ZINC001235364086 1040852500 /nfs/dbraw/zinc/85/25/00/1040852500.db2.gz KUTKANWNSLRLPS-AZGAKELHSA-N 2 1 390.571 3.988 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)ccc1OCc1ccccc1 ZINC001235365529 1040855573 /nfs/dbraw/zinc/85/55/73/1040855573.db2.gz ADVAEJXHKPTXFA-WMTXJRDZSA-N 2 1 378.516 3.527 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)ccc1OCc1ccccc1 ZINC001235365524 1040855988 /nfs/dbraw/zinc/85/59/88/1040855988.db2.gz ADVAEJXHKPTXFA-CQOQZXRMSA-N 2 1 378.516 3.527 20 0 GHADMP Oc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC001235368245 1040866972 /nfs/dbraw/zinc/86/69/72/1040866972.db2.gz JFDFTGMNFUNUNW-XMSQKQJNSA-N 2 1 388.458 3.747 20 0 GHADMP Oc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC001235368245 1040866993 /nfs/dbraw/zinc/86/69/93/1040866993.db2.gz JFDFTGMNFUNUNW-XMSQKQJNSA-N 2 1 388.458 3.747 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150686 1040871323 /nfs/dbraw/zinc/87/13/23/1040871323.db2.gz OMIYOFNGFOLBQT-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150686 1040871334 /nfs/dbraw/zinc/87/13/34/1040871334.db2.gz OMIYOFNGFOLBQT-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150686 1040871338 /nfs/dbraw/zinc/87/13/38/1040871338.db2.gz OMIYOFNGFOLBQT-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150686 1040871342 /nfs/dbraw/zinc/87/13/42/1040871342.db2.gz OMIYOFNGFOLBQT-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151029 1040871937 /nfs/dbraw/zinc/87/19/37/1040871937.db2.gz QXJUBBGMBJUZPB-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151029 1040871941 /nfs/dbraw/zinc/87/19/41/1040871941.db2.gz QXJUBBGMBJUZPB-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151029 1040871944 /nfs/dbraw/zinc/87/19/44/1040871944.db2.gz QXJUBBGMBJUZPB-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151029 1040871949 /nfs/dbraw/zinc/87/19/49/1040871949.db2.gz QXJUBBGMBJUZPB-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(-c4cncnc4)cc2)CC3)cc1 ZINC001235375172 1040885113 /nfs/dbraw/zinc/88/51/13/1040885113.db2.gz ZARDHNKHDIHLCY-JWQCQUIFSA-N 2 1 384.527 3.897 20 0 GHADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc(C)c1OCCO ZINC001235376431 1040886003 /nfs/dbraw/zinc/88/60/03/1040886003.db2.gz RKJPFHIJJCGKCW-JOCHJYFZSA-N 2 1 382.548 3.628 20 0 GHADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1OCCO ZINC001235376431 1040886033 /nfs/dbraw/zinc/88/60/33/1040886033.db2.gz RKJPFHIJJCGKCW-JOCHJYFZSA-N 2 1 382.548 3.628 20 0 GHADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1OCCO ZINC001235376431 1040886055 /nfs/dbraw/zinc/88/60/55/1040886055.db2.gz RKJPFHIJJCGKCW-JOCHJYFZSA-N 2 1 382.548 3.628 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@H+](Cc2cccc(-c4ccccn4)n2)CC3)cc1 ZINC001235379552 1040900036 /nfs/dbraw/zinc/90/00/36/1040900036.db2.gz HCWRNYISIMZTAA-OFVILXPXSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2cccc(-c4ccccn4)n2)CC3)cc1 ZINC001235379552 1040900037 /nfs/dbraw/zinc/90/00/37/1040900037.db2.gz HCWRNYISIMZTAA-OFVILXPXSA-N 2 1 384.527 3.897 20 0 GHADMP Cn1ccc(-c2ccc(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)cc2)n1 ZINC001235387829 1040906101 /nfs/dbraw/zinc/90/61/01/1040906101.db2.gz XSMZSUOBICJRMH-UKILVPOCSA-N 2 1 386.543 3.840 20 0 GHADMP Cc1cc(OC(C)C)ncc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001235422177 1040924320 /nfs/dbraw/zinc/92/43/20/1040924320.db2.gz MVNUTLMAXTUEIB-UHFFFAOYSA-N 2 1 399.535 3.637 20 0 GHADMP Cc1cc(OC(C)C)ncc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001235422177 1040924324 /nfs/dbraw/zinc/92/43/24/1040924324.db2.gz MVNUTLMAXTUEIB-UHFFFAOYSA-N 2 1 399.535 3.637 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1Br ZINC001235423916 1040925811 /nfs/dbraw/zinc/92/58/11/1040925811.db2.gz HDQMRWXAMNKRSX-HOTGVXAUSA-N 2 1 397.357 3.678 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431644 1040932268 /nfs/dbraw/zinc/93/22/68/1040932268.db2.gz VKPASEISRXGHER-MOPGFXCFSA-N 2 1 383.511 3.607 20 0 GHADMP CCOC(=O)CC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)Cc1ccccc1 ZINC001235433204 1040934454 /nfs/dbraw/zinc/93/44/54/1040934454.db2.gz XYNGVTWOHMXOMK-UHFFFAOYSA-N 2 1 391.515 3.700 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380412 1040971222 /nfs/dbraw/zinc/97/12/22/1040971222.db2.gz JZLWCNZZYCJYJG-MBDNFAEBSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C)(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381562 1040972846 /nfs/dbraw/zinc/97/28/46/1040972846.db2.gz QGEQBIIHJBYDIR-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1 ZINC001235517390 1040972932 /nfs/dbraw/zinc/97/29/32/1040972932.db2.gz HPHHIYSKMBGPEZ-JOCHJYFZSA-N 2 1 389.609 3.989 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255382052 1040972951 /nfs/dbraw/zinc/97/29/51/1040972951.db2.gz RVYODXXCUGLXSG-ACRUOGEOSA-N 2 1 387.568 3.934 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc4c(s2)C[NH2+]CC4)CC3)c1 ZINC001235525174 1040975443 /nfs/dbraw/zinc/97/54/43/1040975443.db2.gz FVIHOCLMBVMHRP-UHFFFAOYSA-N 3 1 387.618 3.943 20 0 GHADMP O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389367 1040977343 /nfs/dbraw/zinc/97/73/43/1040977343.db2.gz LWXYSBRNASIGBE-FPOVZHCZSA-N 2 1 383.923 3.848 20 0 GHADMP O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389367 1040977344 /nfs/dbraw/zinc/97/73/44/1040977344.db2.gz LWXYSBRNASIGBE-FPOVZHCZSA-N 2 1 383.923 3.848 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3(c4cccnc4)CCOCC3)CC2)cc1 ZINC001255393660 1040981109 /nfs/dbraw/zinc/98/11/09/1040981109.db2.gz SJIBKCPEYYWLGP-QHCPKHFHSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235545245 1040981300 /nfs/dbraw/zinc/98/13/00/1040981300.db2.gz ALHZQAXZBWZKOW-SFHVURJKSA-N 2 1 386.584 3.746 20 0 GHADMP C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235545245 1040981301 /nfs/dbraw/zinc/98/13/01/1040981301.db2.gz ALHZQAXZBWZKOW-SFHVURJKSA-N 2 1 386.584 3.746 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400714 1040986376 /nfs/dbraw/zinc/98/63/76/1040986376.db2.gz MXKCDUMHXYVSNF-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400714 1040986381 /nfs/dbraw/zinc/98/63/81/1040986381.db2.gz MXKCDUMHXYVSNF-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400714 1040986387 /nfs/dbraw/zinc/98/63/87/1040986387.db2.gz MXKCDUMHXYVSNF-YPAWHYETSA-N 2 1 399.579 3.982 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(C[C@@H]3Cc4ccccc4C[NH2+]3)C[C@H]21 ZINC001235558684 1040986453 /nfs/dbraw/zinc/98/64/53/1040986453.db2.gz LFSCQGFWRFDXAW-NEUULRRLSA-N 2 1 395.616 3.995 20 0 GHADMP c1ccc(CC[NH+]2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255402122 1040988780 /nfs/dbraw/zinc/98/87/80/1040988780.db2.gz DWYWSRCPACCWIE-RUZDIDTESA-N 2 1 377.576 3.901 20 0 GHADMP O=C([C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403366 1040991071 /nfs/dbraw/zinc/99/10/71/1040991071.db2.gz PBGKHTSMQBCNMV-PKTZIBPZSA-N 2 1 383.580 3.766 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403366 1040991074 /nfs/dbraw/zinc/99/10/74/1040991074.db2.gz PBGKHTSMQBCNMV-PKTZIBPZSA-N 2 1 383.580 3.766 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403366 1040991076 /nfs/dbraw/zinc/99/10/76/1040991076.db2.gz PBGKHTSMQBCNMV-PKTZIBPZSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255408892 1040995727 /nfs/dbraw/zinc/99/57/27/1040995727.db2.gz DTNMMDWVYCKYLB-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255408892 1040995728 /nfs/dbraw/zinc/99/57/28/1040995728.db2.gz DTNMMDWVYCKYLB-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255408892 1040995729 /nfs/dbraw/zinc/99/57/29/1040995729.db2.gz DTNMMDWVYCKYLB-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Fc1cnc(OC2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255409851 1040996833 /nfs/dbraw/zinc/99/68/33/1040996833.db2.gz LUKXPRMOLUHBFQ-HXUWFJFHSA-N 2 1 384.499 3.514 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409624 1040997164 /nfs/dbraw/zinc/99/71/64/1040997164.db2.gz JEYGBIOMLIJOCP-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409624 1040997167 /nfs/dbraw/zinc/99/71/67/1040997167.db2.gz JEYGBIOMLIJOCP-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409624 1040997168 /nfs/dbraw/zinc/99/71/68/1040997168.db2.gz JEYGBIOMLIJOCP-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255410199 1040999673 /nfs/dbraw/zinc/99/96/73/1040999673.db2.gz RIKDIINQEBCMIV-FGZHOGPDSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255410199 1040999674 /nfs/dbraw/zinc/99/96/74/1040999674.db2.gz RIKDIINQEBCMIV-FGZHOGPDSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410199 1040999676 /nfs/dbraw/zinc/99/96/76/1040999676.db2.gz RIKDIINQEBCMIV-FGZHOGPDSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410199 1040999678 /nfs/dbraw/zinc/99/96/78/1040999678.db2.gz RIKDIINQEBCMIV-FGZHOGPDSA-N 2 1 395.547 3.988 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)CCN5)CC3)C2)cc1 ZINC001235611275 1041029722 /nfs/dbraw/zinc/02/97/22/1041029722.db2.gz WOTASWJPHGREKD-UHFFFAOYSA-N 2 1 391.559 3.830 20 0 GHADMP [NH3+][C@H](Cc1ccccc1)CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001235672894 1041132883 /nfs/dbraw/zinc/13/28/83/1041132883.db2.gz ITUPDLWYKDUXPH-LJQANCHMSA-N 2 1 380.923 3.580 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662720 1041200540 /nfs/dbraw/zinc/20/05/40/1041200540.db2.gz RKLLDTYDBHTEEQ-KGEPEWOVSA-N 2 1 379.589 3.875 20 0 GHADMP C[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1cccc(C(F)(F)F)c1 ZINC001235726688 1041211013 /nfs/dbraw/zinc/21/10/13/1041211013.db2.gz OULMXUQTYHLENO-UHFFFAOYSA-N 2 1 377.454 3.743 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)nc2NC(=O)OC(C)(C)C)CC1 ZINC001235728283 1041212044 /nfs/dbraw/zinc/21/20/44/1041212044.db2.gz YGZKLELZSINOGE-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001235761797 1041252414 /nfs/dbraw/zinc/25/24/14/1041252414.db2.gz QHPZGAXFLZBNMQ-UHFFFAOYSA-N 3 1 392.591 3.583 20 0 GHADMP CCN(Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC001235761797 1041252433 /nfs/dbraw/zinc/25/24/33/1041252433.db2.gz QHPZGAXFLZBNMQ-UHFFFAOYSA-N 2 1 392.591 3.583 20 0 GHADMP CCOc1ccc([C@H]2CCC[N@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235839871 1041367942 /nfs/dbraw/zinc/36/79/42/1041367942.db2.gz IDHLDBMNQZTSGV-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001235847240 1041372113 /nfs/dbraw/zinc/37/21/13/1041372113.db2.gz FSBUWXGOCNFOOH-UHFFFAOYSA-N 2 1 396.482 3.520 20 0 GHADMP COc1cccc(OC)c1C[NH+]1CCC(NC(=[NH2+])c2cc(F)cc(F)c2)CC1 ZINC001255922829 1041410151 /nfs/dbraw/zinc/41/01/51/1041410151.db2.gz UWDZKQVYNQYLSS-UHFFFAOYSA-N 2 1 389.446 3.562 20 0 GHADMP Clc1ccc2nc(N3CCC[N@H+](CC[C@@H]4CCCC[NH2+]4)CC3)sc2c1 ZINC001235884692 1041411563 /nfs/dbraw/zinc/41/15/63/1041411563.db2.gz LOEXXGVZFCCWSI-INIZCTEOSA-N 2 1 378.973 3.994 20 0 GHADMP Clc1ccc2nc(N3CCC[N@@H+](CC[C@@H]4CCCC[NH2+]4)CC3)sc2c1 ZINC001235884692 1041411571 /nfs/dbraw/zinc/41/15/71/1041411571.db2.gz LOEXXGVZFCCWSI-INIZCTEOSA-N 2 1 378.973 3.994 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(F)c(OCC2CCOCC2)c(F)c1 ZINC001255953472 1041433917 /nfs/dbraw/zinc/43/39/17/1041433917.db2.gz KNMREZIIEMGMRV-MRXNPFEDSA-N 2 1 384.511 3.980 20 0 GHADMP COCCC[N@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235936360 1041441378 /nfs/dbraw/zinc/44/13/78/1041441378.db2.gz BHLPWYMGNKQLFM-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP COCCC[N@@H+](Cc1ccc(Cl)cc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235936360 1041441385 /nfs/dbraw/zinc/44/13/85/1041441385.db2.gz BHLPWYMGNKQLFM-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H]2Cc3c(c(-c4cccc(F)c4)nn3C)[C@H]2C1 ZINC001255961582 1041441672 /nfs/dbraw/zinc/44/16/72/1041441672.db2.gz WPKZPTVQBVRGTP-HQRMLTQVSA-N 2 1 384.543 3.918 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001255963635 1041444364 /nfs/dbraw/zinc/44/43/64/1041444364.db2.gz SBBDSPBHNAMOAZ-PZJWPPBQSA-N 2 1 394.554 3.735 20 0 GHADMP C[N@H+](Cc1sc2ccccc2c1Cl)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001235948681 1041454432 /nfs/dbraw/zinc/45/44/32/1041454432.db2.gz PXFZYBBYZNGSAD-UHFFFAOYSA-N 2 1 387.936 3.875 20 0 GHADMP C[N@@H+](Cc1sc2ccccc2c1Cl)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001235948681 1041454450 /nfs/dbraw/zinc/45/44/50/1041454450.db2.gz PXFZYBBYZNGSAD-UHFFFAOYSA-N 2 1 387.936 3.875 20 0 GHADMP COC(=O)c1cc2cc(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)ccc2[nH]1 ZINC001235976775 1041481722 /nfs/dbraw/zinc/48/17/22/1041481722.db2.gz CZJIZNKENQPSLU-UHFFFAOYSA-N 2 1 389.499 3.592 20 0 GHADMP O=C(c1ccc(C(F)(F)F)cc1)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071519 1041507075 /nfs/dbraw/zinc/50/70/75/1041507075.db2.gz BPERHVRDLYIAOE-UHFFFAOYSA-N 2 1 395.469 3.526 20 0 GHADMP FC(F)(F)c1ccccc1CN1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071823 1041507726 /nfs/dbraw/zinc/50/77/26/1041507726.db2.gz QWHHLTBDOHVBLV-UHFFFAOYSA-N 2 1 381.486 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC001256073564 1041508327 /nfs/dbraw/zinc/50/83/27/1041508327.db2.gz WIUCDFFCEXHRGT-UHFFFAOYSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC001256073564 1041508334 /nfs/dbraw/zinc/50/83/34/1041508334.db2.gz WIUCDFFCEXHRGT-UHFFFAOYSA-N 2 1 377.573 3.726 20 0 GHADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2)C1 ZINC001236072213 1041523582 /nfs/dbraw/zinc/52/35/82/1041523582.db2.gz FMKRTFXJQLJSTH-HNNXBMFYSA-N 2 1 380.319 3.861 20 0 GHADMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](Cc3ccc(Oc4ccc(Cl)cc4)cc3)C2)C1 ZINC001236080577 1041524314 /nfs/dbraw/zinc/52/43/14/1041524314.db2.gz VMXFDLJLJHBHII-HXUWFJFHSA-N 2 1 385.939 3.987 20 0 GHADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc(C(C)(C)C)c1O ZINC001236078722 1041524666 /nfs/dbraw/zinc/52/46/66/1041524666.db2.gz JFFOHUKUCXNITE-LJQANCHMSA-N 2 1 387.612 3.842 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)Cc3cccc(OC)c3)CC2)cc1 ZINC001256153620 1041590955 /nfs/dbraw/zinc/59/09/55/1041590955.db2.gz JNIKIJDHNIZGCG-LJQANCHMSA-N 2 1 382.548 3.932 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(Cl)c(I)c2)CC1 ZINC001236215863 1041626020 /nfs/dbraw/zinc/62/60/20/1041626020.db2.gz RWSCKBOEVZNWTE-UHFFFAOYSA-N 2 1 392.712 3.907 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c2n1 ZINC001236215315 1041626478 /nfs/dbraw/zinc/62/64/78/1041626478.db2.gz GQELMPLYTLDOLR-HZPDHXFCSA-N 2 1 378.314 3.708 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3[NH3+])c2n1 ZINC001236215315 1041626486 /nfs/dbraw/zinc/62/64/86/1041626486.db2.gz GQELMPLYTLDOLR-HZPDHXFCSA-N 2 1 378.314 3.708 20 0 GHADMP CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001236239245 1041638931 /nfs/dbraw/zinc/63/89/31/1041638931.db2.gz CEJRRFSHHXOSBM-UHFFFAOYSA-N 2 1 377.536 3.835 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001236303220 1041666860 /nfs/dbraw/zinc/66/68/60/1041666860.db2.gz MYSSUJAAQKJWME-IBGZPJMESA-N 2 1 390.453 3.847 20 0 GHADMP CC[NH+](CC)Cc1ccc(F)c(-c2ccccc2C(=O)N2CC[NH+](C)CC2)c1 ZINC001236326515 1041671765 /nfs/dbraw/zinc/67/17/65/1041671765.db2.gz CEKICUFFSZHDOY-UHFFFAOYSA-N 2 1 383.511 3.722 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2ncccc2Br)CC2CC[NH2+]CC2)cc1 ZINC001236380658 1041690580 /nfs/dbraw/zinc/69/05/80/1041690580.db2.gz GVQZRZOXVZTQJV-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ncccc2Br)CC2CC[NH2+]CC2)cc1 ZINC001236380658 1041690582 /nfs/dbraw/zinc/69/05/82/1041690582.db2.gz GVQZRZOXVZTQJV-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OC)c(OCc2ccccc2)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407703 1041704449 /nfs/dbraw/zinc/70/44/49/1041704449.db2.gz GRKKAHTWIDTCCH-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)CC1 ZINC001236442141 1041714474 /nfs/dbraw/zinc/71/44/74/1041714474.db2.gz XHQNJECGEBRATD-KESTWPANSA-N 2 1 388.552 3.619 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(-n3ccnc3C)cc2)C2CC[NH2+]CC2)cc1 ZINC001236443832 1041715210 /nfs/dbraw/zinc/71/52/10/1041715210.db2.gz WOTSCAFFOSUHPL-UHFFFAOYSA-N 2 1 390.531 3.944 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(-n3ccnc3C)cc2)C2CC[NH2+]CC2)cc1 ZINC001236443832 1041715217 /nfs/dbraw/zinc/71/52/17/1041715217.db2.gz WOTSCAFFOSUHPL-UHFFFAOYSA-N 2 1 390.531 3.944 20 0 GHADMP Clc1ccc(C[N@H+](Cc2ccc(-n3ccnn3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236454804 1041719393 /nfs/dbraw/zinc/71/93/93/1041719393.db2.gz KHWOGTIQWDVRHX-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2ccc(-n3ccnn3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236454804 1041719399 /nfs/dbraw/zinc/71/93/99/1041719399.db2.gz KHWOGTIQWDVRHX-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP COC(=O)[C@H](C[NH3+])Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001236477090 1041732436 /nfs/dbraw/zinc/73/24/36/1041732436.db2.gz XRVMPXWQEQSLSA-VXNXHJTFSA-N 2 1 390.527 3.797 20 0 GHADMP COc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1OC ZINC001236553061 1041759629 /nfs/dbraw/zinc/75/96/29/1041759629.db2.gz WEHUUYDKZKNFKM-WKILWMFISA-N 2 1 397.357 3.948 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ncc(C)c(OC)c2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236553678 1041760214 /nfs/dbraw/zinc/76/02/14/1041760214.db2.gz QPYOYCOHAAKIAI-MXVIHJGJSA-N 2 1 383.536 3.988 20 0 GHADMP CCOC(=O)c1ccnc(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236557740 1041761682 /nfs/dbraw/zinc/76/16/82/1041761682.db2.gz RJMVCTINNLMHRX-AQYVVDRMSA-N 2 1 381.520 3.839 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001236560182 1041763438 /nfs/dbraw/zinc/76/34/38/1041763438.db2.gz CDHHPKBEYBSWGQ-QAQDUYKDSA-N 2 1 375.419 3.675 20 0 GHADMP CC[NH+](CC)Cc1ccc(F)c(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC001236562428 1041764243 /nfs/dbraw/zinc/76/42/43/1041764243.db2.gz UUHLGNMWUBETDO-UHFFFAOYSA-N 2 1 383.511 3.722 20 0 GHADMP Cn1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c2cc(Br)ccc21 ZINC001236597331 1041772951 /nfs/dbraw/zinc/77/29/51/1041772951.db2.gz CDUMRTSABBCTEB-AWEZNQCLSA-N 2 1 376.342 3.905 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001236623421 1041788717 /nfs/dbraw/zinc/78/87/17/1041788717.db2.gz UFCPOULVJQNZBV-QHCPKHFHSA-N 2 1 378.564 3.760 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001236623418 1041788952 /nfs/dbraw/zinc/78/89/52/1041788952.db2.gz UFCPOULVJQNZBV-HSZRJFAPSA-N 2 1 378.564 3.760 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc4sccc43)CC[C@@H]21 ZINC001236679667 1041824657 /nfs/dbraw/zinc/82/46/57/1041824657.db2.gz JTYWYJIVVWAAOR-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc4sccc43)CC[C@@H]21 ZINC001236679667 1041824661 /nfs/dbraw/zinc/82/46/61/1041824661.db2.gz JTYWYJIVVWAAOR-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP COc1cc(OC)c(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236682904 1041827916 /nfs/dbraw/zinc/82/79/16/1041827916.db2.gz ZMGSIWQHUXZTCX-WGSAOQKQSA-N 2 1 384.520 3.985 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236699578 1041839929 /nfs/dbraw/zinc/83/99/29/1041839929.db2.gz BUHFLXDEXDALPR-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(O)c1)CC2 ZINC001236703650 1041842269 /nfs/dbraw/zinc/84/22/69/1041842269.db2.gz YGKGETJRIYKQLZ-QGZVFWFLSA-N 2 1 390.524 3.848 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cccc2c1OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711518 1041848142 /nfs/dbraw/zinc/84/81/42/1041848142.db2.gz RSGDFYZZWOWTAE-MXVIHJGJSA-N 2 1 382.504 3.739 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)CC2CCCCC2)CC1 ZINC001236759579 1041876936 /nfs/dbraw/zinc/87/69/36/1041876936.db2.gz WIPVNLLTVFZJLY-YHBQERECSA-N 3 1 384.612 3.748 20 0 GHADMP CCC(CC)[N@@H+](Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782443 1041889210 /nfs/dbraw/zinc/88/92/10/1041889210.db2.gz RLCNSFRCXZYIBM-RMEPHLEKSA-N 2 1 388.600 3.956 20 0 GHADMP CCC(CC)[N@@H+](Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782439 1041889543 /nfs/dbraw/zinc/88/95/43/1041889543.db2.gz RLCNSFRCXZYIBM-JEEBJRHZSA-N 2 1 388.600 3.956 20 0 GHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)cc1OC ZINC001236898237 1041944818 /nfs/dbraw/zinc/94/48/18/1041944818.db2.gz JJPCQSUEUBYZNP-QFIPXVFZSA-N 2 1 395.547 3.793 20 0 GHADMP COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966404 1041972285 /nfs/dbraw/zinc/97/22/85/1041972285.db2.gz GCKUGOJUPRXCNL-SFHVURJKSA-N 2 1 385.527 3.649 20 0 GHADMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966404 1041972287 /nfs/dbraw/zinc/97/22/87/1041972287.db2.gz GCKUGOJUPRXCNL-SFHVURJKSA-N 2 1 385.527 3.649 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001237025781 1041994959 /nfs/dbraw/zinc/99/49/59/1041994959.db2.gz WUMLEICJEMLIGZ-CTNGQTDRSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001237025781 1041994961 /nfs/dbraw/zinc/99/49/61/1041994961.db2.gz WUMLEICJEMLIGZ-CTNGQTDRSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001237025781 1041994963 /nfs/dbraw/zinc/99/49/63/1041994963.db2.gz WUMLEICJEMLIGZ-CTNGQTDRSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4OC(C)(C)C)C[C@@H]3C2)cn1 ZINC001237025781 1041994968 /nfs/dbraw/zinc/99/49/68/1041994968.db2.gz WUMLEICJEMLIGZ-CTNGQTDRSA-N 2 1 382.552 3.551 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[N@@H+](C2CCCCC2)[C@@H](C)C1 ZINC001237250343 1042107676 /nfs/dbraw/zinc/10/76/76/1042107676.db2.gz VQFIBNRQYYGSCF-INIZCTEOSA-N 2 1 376.614 3.757 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2sccc2Oc2ccccc2)CCC12C[NH2+]C2 ZINC001237432003 1042205484 /nfs/dbraw/zinc/20/54/84/1042205484.db2.gz VMNWHMYIOLXFCY-KRWDZBQOSA-N 2 1 386.517 3.515 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001237437895 1042207676 /nfs/dbraw/zinc/20/76/76/1042207676.db2.gz UAHMEHSFTMRZJM-HFSMHLIXSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001237437895 1042207682 /nfs/dbraw/zinc/20/76/82/1042207682.db2.gz UAHMEHSFTMRZJM-HFSMHLIXSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001237437895 1042207687 /nfs/dbraw/zinc/20/76/87/1042207687.db2.gz UAHMEHSFTMRZJM-HFSMHLIXSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001237437895 1042207693 /nfs/dbraw/zinc/20/76/93/1042207693.db2.gz UAHMEHSFTMRZJM-HFSMHLIXSA-N 2 1 399.560 3.662 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1cccc3c(F)cccc13)CCC2 ZINC001237514103 1042245007 /nfs/dbraw/zinc/24/50/07/1042245007.db2.gz DSVRQRNWNGRKFA-UHFFFAOYSA-N 2 1 396.510 3.660 20 0 GHADMP Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1OC(C)C ZINC001237715081 1042339172 /nfs/dbraw/zinc/33/91/72/1042339172.db2.gz PWAJPCCJLCJCDY-UHFFFAOYSA-N 2 1 382.552 3.633 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(CC[NH+](Cc3cccc4c[nH+]cn43)CC2)C1 ZINC001238108266 1042494575 /nfs/dbraw/zinc/49/45/75/1042494575.db2.gz UEFFNTXDTWPGJO-UHFFFAOYSA-N 2 1 384.524 3.947 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](CCc1ccc(Cl)cc1Cl)C2 ZINC001278215814 1042551136 /nfs/dbraw/zinc/55/11/36/1042551136.db2.gz HJQKCPYYBCULHO-HXUWFJFHSA-N 2 1 384.395 3.885 20 0 GHADMP CC(C)Oc1ccc(-c2ccc(C[NH+]3CCN(CCC[NH+](C)C)CC3)cn2)cc1 ZINC001238543236 1042634999 /nfs/dbraw/zinc/63/49/99/1042634999.db2.gz SDUKFSCCXKRRQJ-UHFFFAOYSA-N 2 1 396.579 3.605 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(-c4ccc(F)cc4OC)ccc3OC)C[C@H]2C1 ZINC001238650602 1042669697 /nfs/dbraw/zinc/66/96/97/1042669697.db2.gz VWSPFOMVCUGXCI-RTBURBONSA-N 2 1 384.495 3.893 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(-c4cccc(CN5CC[NH2+]CC5)c4)ccc3C2)cc1 ZINC001240225387 1042909897 /nfs/dbraw/zinc/90/98/97/1042909897.db2.gz CFRKQKDXLNMVHB-UHFFFAOYSA-N 2 1 398.554 3.712 20 0 GHADMP CC[NH+]1CCN(Cc2ccc(C3=CCC[N@@H+](Cc4ccccc4)C3)nc2)CC1 ZINC001240387004 1042924297 /nfs/dbraw/zinc/92/42/97/1042924297.db2.gz KUAJSKFGHAIZCE-UHFFFAOYSA-N 2 1 376.548 3.508 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(-c4ncccc4C[NH+]4CCCC4)cc3)CC2)CC1 ZINC001240582056 1042942950 /nfs/dbraw/zinc/94/29/50/1042942950.db2.gz FNPDLEAGTNBPOL-UHFFFAOYSA-N 2 1 376.548 3.581 20 0 GHADMP C[NH+]1CCN(c2ccc(-c3ccc([C@H]4CN5CCSC5=[NH+]4)cc3)cc2)CC1 ZINC001240854510 1042959718 /nfs/dbraw/zinc/95/97/18/1042959718.db2.gz BLBGRKDJOBHSSB-OAQYLSRUSA-N 2 1 378.545 3.565 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@@H]3C2)cc1 ZINC000656539834 1043217567 /nfs/dbraw/zinc/21/75/67/1043217567.db2.gz WOYAAVGWARRWBB-TUACAJSNSA-N 3 1 376.548 3.551 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+](CC)CC ZINC001291563050 1043345605 /nfs/dbraw/zinc/34/56/05/1043345605.db2.gz MUFVTRSXHWYNRR-LJQANCHMSA-N 2 1 392.636 3.834 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256521994 1043446543 /nfs/dbraw/zinc/44/65/43/1043446543.db2.gz CCPUNTOLWOUFLU-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256521994 1043446552 /nfs/dbraw/zinc/44/65/52/1043446552.db2.gz CCPUNTOLWOUFLU-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256529251 1043458174 /nfs/dbraw/zinc/45/81/74/1043458174.db2.gz ARVGMSLYJOHKBU-XMSQKQJNSA-N 2 1 375.520 3.625 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC[N@H+]1Cc1ccccc1 ZINC001256529251 1043458192 /nfs/dbraw/zinc/45/81/92/1043458192.db2.gz ARVGMSLYJOHKBU-XMSQKQJNSA-N 2 1 375.520 3.625 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(O)cc1 ZINC001256528567 1043458586 /nfs/dbraw/zinc/45/85/86/1043458586.db2.gz HNGJZPFDSJOTAW-AGHHOFFYSA-N 2 1 382.504 3.639 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(O)cc1 ZINC001256528567 1043458595 /nfs/dbraw/zinc/45/85/95/1043458595.db2.gz HNGJZPFDSJOTAW-AGHHOFFYSA-N 2 1 382.504 3.639 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256529954 1043460611 /nfs/dbraw/zinc/46/06/11/1043460611.db2.gz ZGYHDVBQWGJCJC-JCTONOIOSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256529954 1043460615 /nfs/dbraw/zinc/46/06/15/1043460615.db2.gz ZGYHDVBQWGJCJC-JCTONOIOSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256531009 1043463346 /nfs/dbraw/zinc/46/33/46/1043463346.db2.gz GLKGMCRBQJVASB-PMOQBDJRSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256531009 1043463361 /nfs/dbraw/zinc/46/33/61/1043463361.db2.gz GLKGMCRBQJVASB-PMOQBDJRSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535465 1043478051 /nfs/dbraw/zinc/47/80/51/1043478051.db2.gz ZURASJZNSLVWKJ-AJSBUHFISA-N 2 1 377.532 3.544 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256535465 1043478054 /nfs/dbraw/zinc/47/80/54/1043478054.db2.gz ZURASJZNSLVWKJ-AJSBUHFISA-N 2 1 377.532 3.544 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256543227 1043499365 /nfs/dbraw/zinc/49/93/65/1043499365.db2.gz SFRFLXOIJVONJF-JKLQHZFJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256543227 1043499377 /nfs/dbraw/zinc/49/93/77/1043499377.db2.gz SFRFLXOIJVONJF-JKLQHZFJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256543227 1043499387 /nfs/dbraw/zinc/49/93/87/1043499387.db2.gz SFRFLXOIJVONJF-JKLQHZFJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256543227 1043499397 /nfs/dbraw/zinc/49/93/97/1043499397.db2.gz SFRFLXOIJVONJF-JKLQHZFJSA-N 2 1 399.579 3.981 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256545251 1043504144 /nfs/dbraw/zinc/50/41/44/1043504144.db2.gz RPPOYBZBHXTESA-IQQJEHGZSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256545251 1043504157 /nfs/dbraw/zinc/50/41/57/1043504157.db2.gz RPPOYBZBHXTESA-IQQJEHGZSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256545251 1043504170 /nfs/dbraw/zinc/50/41/70/1043504170.db2.gz RPPOYBZBHXTESA-IQQJEHGZSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256545251 1043504186 /nfs/dbraw/zinc/50/41/86/1043504186.db2.gz RPPOYBZBHXTESA-IQQJEHGZSA-N 2 1 396.535 3.726 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256553129 1043521216 /nfs/dbraw/zinc/52/12/16/1043521216.db2.gz FDPIPFOLYREXFG-UNWVZKJWSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256553129 1043521226 /nfs/dbraw/zinc/52/12/26/1043521226.db2.gz FDPIPFOLYREXFG-UNWVZKJWSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256553129 1043521233 /nfs/dbraw/zinc/52/12/33/1043521233.db2.gz FDPIPFOLYREXFG-UNWVZKJWSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256553129 1043521236 /nfs/dbraw/zinc/52/12/36/1043521236.db2.gz FDPIPFOLYREXFG-UNWVZKJWSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256553127 1043521660 /nfs/dbraw/zinc/52/16/60/1043521660.db2.gz FDPIPFOLYREXFG-IEIRFRATSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256553127 1043521675 /nfs/dbraw/zinc/52/16/75/1043521675.db2.gz FDPIPFOLYREXFG-IEIRFRATSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256553127 1043521680 /nfs/dbraw/zinc/52/16/80/1043521680.db2.gz FDPIPFOLYREXFG-IEIRFRATSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256553127 1043521691 /nfs/dbraw/zinc/52/16/91/1043521691.db2.gz FDPIPFOLYREXFG-IEIRFRATSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256558691 1043529213 /nfs/dbraw/zinc/52/92/13/1043529213.db2.gz UFQBNHACAZEUNU-SYYKKAFVSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256558691 1043529218 /nfs/dbraw/zinc/52/92/18/1043529218.db2.gz UFQBNHACAZEUNU-SYYKKAFVSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256558691 1043529222 /nfs/dbraw/zinc/52/92/22/1043529222.db2.gz UFQBNHACAZEUNU-SYYKKAFVSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256558691 1043529225 /nfs/dbraw/zinc/52/92/25/1043529225.db2.gz UFQBNHACAZEUNU-SYYKKAFVSA-N 2 1 381.520 3.596 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256558963 1043532915 /nfs/dbraw/zinc/53/29/15/1043532915.db2.gz WXKYUBKBLUBMME-RBBKRZOGSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256558963 1043532920 /nfs/dbraw/zinc/53/29/20/1043532920.db2.gz WXKYUBKBLUBMME-RBBKRZOGSA-N 2 1 383.580 3.762 20 0 GHADMP Cc1cc(C)nc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256560912 1043534433 /nfs/dbraw/zinc/53/44/33/1043534433.db2.gz URSWPTDOHIWFSY-NFBKMPQASA-N 2 1 393.579 3.705 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1 ZINC001256569455 1043542364 /nfs/dbraw/zinc/54/23/64/1043542364.db2.gz GFRZECUKOUUEBR-AVRDEDQJSA-N 2 1 397.579 3.920 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC001256578753 1043550499 /nfs/dbraw/zinc/55/04/99/1043550499.db2.gz ZBGGMLXFZHQESS-HSZRJFAPSA-N 2 1 378.564 3.548 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001292012264 1043565484 /nfs/dbraw/zinc/56/54/84/1043565484.db2.gz XRABUDHXFKBXOI-LNRXMEIDSA-N 2 1 399.623 3.812 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCN(Cc2ccccc2)CC1 ZINC001256605472 1043569503 /nfs/dbraw/zinc/56/95/03/1043569503.db2.gz CHKQGWBOVVLQKD-QFIPXVFZSA-N 2 1 385.596 3.663 20 0 GHADMP NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C1CCN(Cc2ccccc2)CC1 ZINC001256608513 1043572509 /nfs/dbraw/zinc/57/25/09/1043572509.db2.gz AANJBMDXNWMBQP-ZEQRLZLVSA-N 2 1 391.559 3.775 20 0 GHADMP C[C@@H](Cc1ccncc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001256744808 1043645754 /nfs/dbraw/zinc/64/57/54/1043645754.db2.gz ZFDYJWFAMNRSPF-NZQKXSOJSA-N 2 1 379.548 3.768 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC001292334361 1043690660 /nfs/dbraw/zinc/69/06/60/1043690660.db2.gz FAKLRDUSDXESOQ-HSZRJFAPSA-N 2 1 391.559 3.884 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)Cc2ccccc2Br)CC1 ZINC001256843888 1043694723 /nfs/dbraw/zinc/69/47/23/1043694723.db2.gz IVJHMIKTZZZWNP-SFHVURJKSA-N 2 1 396.417 3.730 20 0 GHADMP c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001256859493 1043706675 /nfs/dbraw/zinc/70/66/75/1043706675.db2.gz NIWSSKQVAVIBSW-ZEQRLZLVSA-N 2 1 392.547 3.558 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900198 1043729496 /nfs/dbraw/zinc/72/94/96/1043729496.db2.gz JISXDPYHNBATNP-FPOVZHCZSA-N 2 1 383.536 3.654 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900198 1043729509 /nfs/dbraw/zinc/72/95/09/1043729509.db2.gz JISXDPYHNBATNP-FPOVZHCZSA-N 2 1 383.536 3.654 20 0 GHADMP Fc1ccc(-c2nn([C@@H]3CCC[N@H+](C4CCCC4)C3)c3c2CC[NH2+]CC3)cc1 ZINC001256912139 1043737136 /nfs/dbraw/zinc/73/71/36/1043737136.db2.gz APRHQBAWLQUBKP-HXUWFJFHSA-N 2 1 382.527 3.957 20 0 GHADMP COC(=O)CC1CCC([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001256986359 1043786850 /nfs/dbraw/zinc/78/68/50/1043786850.db2.gz MASHNLZTJHEIOK-CYSWKSHSSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001256986359 1043786862 /nfs/dbraw/zinc/78/68/62/1043786862.db2.gz MASHNLZTJHEIOK-CYSWKSHSSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001256986359 1043786867 /nfs/dbraw/zinc/78/68/67/1043786867.db2.gz MASHNLZTJHEIOK-CYSWKSHSSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001256986359 1043786882 /nfs/dbraw/zinc/78/68/82/1043786882.db2.gz MASHNLZTJHEIOK-CYSWKSHSSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001256989306 1043787563 /nfs/dbraw/zinc/78/75/63/1043787563.db2.gz DJIXDXWJJDFGOM-ACFFJPHRSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001256989306 1043787567 /nfs/dbraw/zinc/78/75/67/1043787567.db2.gz DJIXDXWJJDFGOM-ACFFJPHRSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001256989306 1043787578 /nfs/dbraw/zinc/78/75/78/1043787578.db2.gz DJIXDXWJJDFGOM-ACFFJPHRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257153085 1043901908 /nfs/dbraw/zinc/90/19/08/1043901908.db2.gz CMHPKURGOOCINY-HARLFGEKSA-N 2 1 395.547 3.961 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001257166607 1043911778 /nfs/dbraw/zinc/91/17/78/1043911778.db2.gz GUAMJTUYSUPLDM-GOSISDBHSA-N 2 1 381.520 3.756 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001257476016 1044007415 /nfs/dbraw/zinc/00/74/15/1044007415.db2.gz FCGWGUDZQCCXOM-RTBURBONSA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001257476016 1044007426 /nfs/dbraw/zinc/00/74/26/1044007426.db2.gz FCGWGUDZQCCXOM-RTBURBONSA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001257476016 1044007436 /nfs/dbraw/zinc/00/74/36/1044007436.db2.gz FCGWGUDZQCCXOM-RTBURBONSA-N 2 1 376.589 3.894 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001293470657 1044198423 /nfs/dbraw/zinc/19/84/23/1044198423.db2.gz OADOTRLCOXCCMX-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001293470657 1044198441 /nfs/dbraw/zinc/19/84/41/1044198441.db2.gz OADOTRLCOXCCMX-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC001293470657 1044198444 /nfs/dbraw/zinc/19/84/44/1044198444.db2.gz OADOTRLCOXCCMX-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC001293470657 1044198456 /nfs/dbraw/zinc/19/84/56/1044198456.db2.gz OADOTRLCOXCCMX-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)C1 ZINC001257973515 1044295384 /nfs/dbraw/zinc/29/53/84/1044295384.db2.gz MJGBGPJDIHEEDX-HKBOAZHASA-N 2 1 387.568 3.539 20 0 GHADMP CCOC(=O)CC1CCC(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001258032620 1044357440 /nfs/dbraw/zinc/35/74/40/1044357440.db2.gz FHQJHODEUYFDDO-LMDPOFIKSA-N 2 1 390.572 3.612 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCN(CCc2ccccc2)CC1 ZINC001258144775 1044431330 /nfs/dbraw/zinc/43/13/30/1044431330.db2.gz WKEADKVUSVAIJR-HSZRJFAPSA-N 2 1 399.623 3.705 20 0 GHADMP CC(C)(C)[N@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144775 1044431338 /nfs/dbraw/zinc/43/13/38/1044431338.db2.gz WKEADKVUSVAIJR-HSZRJFAPSA-N 3 1 399.623 3.705 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144775 1044431343 /nfs/dbraw/zinc/43/13/43/1044431343.db2.gz WKEADKVUSVAIJR-HSZRJFAPSA-N 3 1 399.623 3.705 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258150060 1044441817 /nfs/dbraw/zinc/44/18/17/1044441817.db2.gz VTPPWFBPTZHYOX-QHCPKHFHSA-N 2 1 379.548 3.940 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258150060 1044441821 /nfs/dbraw/zinc/44/18/21/1044441821.db2.gz VTPPWFBPTZHYOX-QHCPKHFHSA-N 2 1 379.548 3.940 20 0 GHADMP C[C@H]1CC([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C[C@H](C)C1 ZINC001258173735 1044454437 /nfs/dbraw/zinc/45/44/37/1044454437.db2.gz HWTACXXZNKWQMY-NHCUHLMSSA-N 2 1 397.607 3.868 20 0 GHADMP C[NH+](C)CCCCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001294072932 1044457382 /nfs/dbraw/zinc/45/73/82/1044457382.db2.gz RMNJIPZTYNOHEU-IBGZPJMESA-N 2 1 399.501 3.631 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258524884 1044603190 /nfs/dbraw/zinc/60/31/90/1044603190.db2.gz ZFQWNXSPDMQXDE-LJQANCHMSA-N 2 1 394.600 3.710 20 0 GHADMP CC1(C)CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001258605366 1044667610 /nfs/dbraw/zinc/66/76/10/1044667610.db2.gz UQKSILYRUPYOKS-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258772257 1044757776 /nfs/dbraw/zinc/75/77/76/1044757776.db2.gz LKKXFSBAOOSVAY-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+]C2CCN(c3[nH+]cccc3C)CC2)cc(OC)c1OC ZINC001258858355 1044797586 /nfs/dbraw/zinc/79/75/86/1044797586.db2.gz MPUWUFSWQIYAKM-QGZVFWFLSA-N 2 1 399.535 3.605 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001258910216 1044864605 /nfs/dbraw/zinc/86/46/05/1044864605.db2.gz OKIKYDZWYBXXMQ-XXBNENTESA-N 2 1 389.559 3.761 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@H]3C[C@@H](C)[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001295141626 1044929521 /nfs/dbraw/zinc/92/95/21/1044929521.db2.gz CZOWEUNBXIPDIJ-XDOCFNAUSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001295141626 1044929523 /nfs/dbraw/zinc/92/95/23/1044929523.db2.gz CZOWEUNBXIPDIJ-XDOCFNAUSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001295141626 1044929529 /nfs/dbraw/zinc/92/95/29/1044929529.db2.gz CZOWEUNBXIPDIJ-XDOCFNAUSA-N 2 1 383.580 3.524 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001296188525 1045276918 /nfs/dbraw/zinc/27/69/18/1045276918.db2.gz LBEAGUFPIFNCGF-JTHBVZDNSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001296188525 1045276924 /nfs/dbraw/zinc/27/69/24/1045276924.db2.gz LBEAGUFPIFNCGF-JTHBVZDNSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001296188525 1045276932 /nfs/dbraw/zinc/27/69/32/1045276932.db2.gz LBEAGUFPIFNCGF-JTHBVZDNSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001296188525 1045276941 /nfs/dbraw/zinc/27/69/41/1045276941.db2.gz LBEAGUFPIFNCGF-JTHBVZDNSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1Br ZINC001296530553 1045333557 /nfs/dbraw/zinc/33/35/57/1045333557.db2.gz RKMOPMRDOCCECP-UHFFFAOYSA-N 2 1 394.357 3.714 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)o1 ZINC001301866756 1046733946 /nfs/dbraw/zinc/73/39/46/1046733946.db2.gz CQVZLKMVQGLPDA-RXVVDRJESA-N 2 1 383.536 3.762 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4c(C)nccc34)CC2)CC1 ZINC001303468867 1047398185 /nfs/dbraw/zinc/39/81/85/1047398185.db2.gz SUMJAEVJNHQDMS-UHFFFAOYSA-N 2 1 380.536 3.678 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389219408 1047417435 /nfs/dbraw/zinc/41/74/35/1047417435.db2.gz CTDTWXJQSUHBCQ-NFBKMPQASA-N 2 1 376.585 3.835 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001303756536 1047505301 /nfs/dbraw/zinc/50/53/01/1047505301.db2.gz RZXXBBMIKXCXAG-FQEVSTJZSA-N 2 1 389.971 3.781 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001303756536 1047505304 /nfs/dbraw/zinc/50/53/04/1047505304.db2.gz RZXXBBMIKXCXAG-FQEVSTJZSA-N 2 1 389.971 3.781 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)c(Cl)cc3F)(C1)CCC2 ZINC001279302646 1047760831 /nfs/dbraw/zinc/76/08/31/1047760831.db2.gz JEXBDWNGTXRDPX-MOPGFXCFSA-N 2 1 388.886 3.763 20 0 GHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(-n3ccnc3)c(Br)c1)CC2 ZINC001279330092 1047769824 /nfs/dbraw/zinc/76/98/24/1047769824.db2.gz GYMWQNLFUQVHOZ-UHFFFAOYSA-N 2 1 389.341 3.553 20 0 GHADMP C[NH+]1CCC(C)(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001279477480 1047819825 /nfs/dbraw/zinc/81/98/25/1047819825.db2.gz RBDQUFDQRWUWNE-UHFFFAOYSA-N 3 1 375.523 3.849 20 0 GHADMP Oc1ccc(Br)c(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001279526237 1047833246 /nfs/dbraw/zinc/83/32/46/1047833246.db2.gz LQCUDMNJNPSQKW-UHFFFAOYSA-N 2 1 379.342 3.995 20 0 GHADMP COc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279579516 1047847531 /nfs/dbraw/zinc/84/75/31/1047847531.db2.gz MHCQJSVNTYOOEK-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001279580214 1047850664 /nfs/dbraw/zinc/85/06/64/1047850664.db2.gz TYDRWBXADPGJPD-FWZVCBSNSA-N 2 1 378.944 3.649 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001279580214 1047850681 /nfs/dbraw/zinc/85/06/81/1047850681.db2.gz TYDRWBXADPGJPD-FWZVCBSNSA-N 2 1 378.944 3.649 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC[C@]2(CCCN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001279590460 1047858766 /nfs/dbraw/zinc/85/87/66/1047858766.db2.gz BWYWGOLPJCKTRH-NRFANRHFSA-N 2 1 378.630 3.717 20 0 GHADMP Cc1cc(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1Cl ZINC001280223484 1048132790 /nfs/dbraw/zinc/13/27/90/1048132790.db2.gz KYYOBPNSHKTSRG-UHFFFAOYSA-N 2 1 376.907 3.999 20 0 GHADMP Cc1cc(F)cc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001280226982 1048136438 /nfs/dbraw/zinc/13/64/38/1048136438.db2.gz HEGNFIFCNFKBJP-UHFFFAOYSA-N 2 1 376.907 3.999 20 0 GHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC001306833995 1048920077 /nfs/dbraw/zinc/92/00/77/1048920077.db2.gz UTZKYTDGIPFBRS-JOCHJYFZSA-N 2 1 397.519 3.508 20 0 GHADMP CC(C)[NH2+]C1CCN(c2nnc(C(C)C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001288260803 1049020829 /nfs/dbraw/zinc/02/08/29/1049020829.db2.gz RWQBHQNWHOAGOS-UHFFFAOYSA-N 2 1 390.620 3.633 20 0 GHADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001307729917 1049542287 /nfs/dbraw/zinc/54/22/87/1049542287.db2.gz JTLVMYJHWYMNDC-WWPVKYPJSA-N 2 1 379.548 3.592 20 0 GHADMP CCN1C[C@H](C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC001307825836 1049619578 /nfs/dbraw/zinc/61/95/78/1049619578.db2.gz QRODOQJLFXDCTD-PKTZIBPZSA-N 2 1 399.579 3.984 20 0 GHADMP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC001307963413 1049725320 /nfs/dbraw/zinc/72/53/20/1049725320.db2.gz XHYYKVIZSJVZGR-QFBILLFUSA-N 2 1 377.960 3.571 20 0 GHADMP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC001307963413 1049725327 /nfs/dbraw/zinc/72/53/27/1049725327.db2.gz XHYYKVIZSJVZGR-QFBILLFUSA-N 2 1 377.960 3.571 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001290153668 1049747472 /nfs/dbraw/zinc/74/74/72/1049747472.db2.gz MWRCNVWADVVOTJ-OYRHEFFESA-N 2 1 391.559 3.793 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001290153668 1049747478 /nfs/dbraw/zinc/74/74/78/1049747478.db2.gz MWRCNVWADVVOTJ-OYRHEFFESA-N 2 1 391.559 3.793 20 0 GHADMP C[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001290253165 1049779184 /nfs/dbraw/zinc/77/91/84/1049779184.db2.gz REHLZOSHNGFXHE-ZCNNSNEGSA-N 2 1 379.548 3.745 20 0 GHADMP C[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001290253165 1049779195 /nfs/dbraw/zinc/77/91/95/1049779195.db2.gz REHLZOSHNGFXHE-ZCNNSNEGSA-N 2 1 379.548 3.745 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)C[N@H+]2C1 ZINC001290687292 1049901193 /nfs/dbraw/zinc/90/11/93/1049901193.db2.gz LZYGHHSEUCYMBP-UEVCKROQSA-N 2 1 383.580 3.655 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001308205702 1049912269 /nfs/dbraw/zinc/91/22/69/1049912269.db2.gz BNCDICSGYCJDHG-QFIPXVFZSA-N 2 1 381.564 3.770 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001308205702 1049912274 /nfs/dbraw/zinc/91/22/74/1049912274.db2.gz BNCDICSGYCJDHG-QFIPXVFZSA-N 2 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001291001017 1049967628 /nfs/dbraw/zinc/96/76/28/1049967628.db2.gz CSJWYENUTHEZHT-XPNTWCBSSA-N 2 1 397.607 3.773 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)O[C@@H](C)C2 ZINC001308488901 1049988019 /nfs/dbraw/zinc/98/80/19/1049988019.db2.gz SCMMAAJQRXYXRF-KGVIQGDOSA-N 2 1 380.532 3.876 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)O[C@@H](C)C2 ZINC001308488901 1049988020 /nfs/dbraw/zinc/98/80/20/1049988020.db2.gz SCMMAAJQRXYXRF-KGVIQGDOSA-N 2 1 380.532 3.876 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)CC2)C1 ZINC001308637524 1050042788 /nfs/dbraw/zinc/04/27/88/1050042788.db2.gz WQKYREYWFYSHIC-ZPZUNKDASA-N 3 1 399.623 3.776 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H]3CO)CC2)C1 ZINC001308637524 1050042792 /nfs/dbraw/zinc/04/27/92/1050042792.db2.gz WQKYREYWFYSHIC-ZPZUNKDASA-N 3 1 399.623 3.776 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)CC2)C1 ZINC001308637524 1050042799 /nfs/dbraw/zinc/04/27/99/1050042799.db2.gz WQKYREYWFYSHIC-ZPZUNKDASA-N 3 1 399.623 3.776 20 0 GHADMP CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001308635795 1050042808 /nfs/dbraw/zinc/04/28/08/1050042808.db2.gz SRQSFHSAFYURBT-VQSBLYBRSA-N 2 1 384.564 3.997 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001308639504 1050043415 /nfs/dbraw/zinc/04/34/15/1050043415.db2.gz RLLVPIUPWCJFOJ-DUAZQRCJSA-N 2 1 393.934 3.744 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001308639504 1050043417 /nfs/dbraw/zinc/04/34/17/1050043417.db2.gz RLLVPIUPWCJFOJ-DUAZQRCJSA-N 2 1 393.934 3.744 20 0 GHADMP CCNc1ccccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001308757014 1050084132 /nfs/dbraw/zinc/08/41/32/1050084132.db2.gz GRPFQPNNLONYSE-HSZRJFAPSA-N 2 1 378.564 3.511 20 0 GHADMP CCNc1ccccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308757014 1050084139 /nfs/dbraw/zinc/08/41/39/1050084139.db2.gz GRPFQPNNLONYSE-HSZRJFAPSA-N 2 1 378.564 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001308884132 1050139305 /nfs/dbraw/zinc/13/93/05/1050139305.db2.gz MHTLEMUMNGZJHI-RTBURBONSA-N 2 1 377.573 3.630 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328449114 1050512302 /nfs/dbraw/zinc/51/23/02/1050512302.db2.gz CSHWHKBMWKFQHT-HXUWFJFHSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328449114 1050512307 /nfs/dbraw/zinc/51/23/07/1050512307.db2.gz CSHWHKBMWKFQHT-HXUWFJFHSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328449114 1050512324 /nfs/dbraw/zinc/51/23/24/1050512324.db2.gz CSHWHKBMWKFQHT-HXUWFJFHSA-N 2 1 375.463 3.507 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001328524379 1050535309 /nfs/dbraw/zinc/53/53/09/1050535309.db2.gz IRUWRRNEOORFQG-OALUTQOASA-N 2 1 397.485 3.646 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001328804885 1050645466 /nfs/dbraw/zinc/64/54/66/1050645466.db2.gz XICVSWQTUGMAOW-NJDAHSKKSA-N 2 1 380.536 3.895 20 0 GHADMP [NH3+]C1(CC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC001330990752 1051164225 /nfs/dbraw/zinc/16/42/25/1051164225.db2.gz PFOJXIPDMRFQAK-REWPJTCUSA-N 2 1 389.543 3.831 20 0 GHADMP C[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2)Cc1ccccc1 ZINC001331146967 1051199944 /nfs/dbraw/zinc/19/99/44/1051199944.db2.gz MIOISOXEIYXWIU-HSZRJFAPSA-N 2 1 391.559 3.537 20 0 GHADMP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2)Cc1ccccc1 ZINC001331146967 1051199965 /nfs/dbraw/zinc/19/99/65/1051199965.db2.gz MIOISOXEIYXWIU-HSZRJFAPSA-N 2 1 391.559 3.537 20 0 GHADMP C[NH+](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)Cc1ccccc1 ZINC001331146967 1051199978 /nfs/dbraw/zinc/19/99/78/1051199978.db2.gz MIOISOXEIYXWIU-HSZRJFAPSA-N 2 1 391.559 3.537 20 0 GHADMP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Cc1ccccc1 ZINC001331146967 1051200005 /nfs/dbraw/zinc/20/00/05/1051200005.db2.gz MIOISOXEIYXWIU-HSZRJFAPSA-N 2 1 391.559 3.537 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001331287927 1051237903 /nfs/dbraw/zinc/23/79/03/1051237903.db2.gz NUOHAWSEAMERGS-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001311443913 1052153081 /nfs/dbraw/zinc/15/30/81/1052153081.db2.gz HYIUTXDBJGWLIS-UXHICEINSA-N 2 1 394.563 3.553 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001311443912 1052153626 /nfs/dbraw/zinc/15/36/26/1052153626.db2.gz HYIUTXDBJGWLIS-PMACEKPBSA-N 2 1 394.563 3.553 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001336228743 1052241318 /nfs/dbraw/zinc/24/13/18/1052241318.db2.gz MTKZWQBKULVNRT-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC001311571308 1052254207 /nfs/dbraw/zinc/25/42/07/1052254207.db2.gz KHKOWALOZUXLKR-RTBURBONSA-N 2 1 392.613 3.647 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001311572674 1052255248 /nfs/dbraw/zinc/25/52/48/1052255248.db2.gz SJXSYBHTTCOXEQ-PZJWPPBQSA-N 2 1 388.600 3.879 20 0 GHADMP CC[NH+]1CCC(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)CC1 ZINC001311578078 1052259398 /nfs/dbraw/zinc/25/93/98/1052259398.db2.gz VLJRJMWGBWLOBV-UHFFFAOYSA-N 2 1 386.584 3.605 20 0 GHADMP Cn1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c(-c2cc(F)ccc2F)n1 ZINC001336742992 1052320022 /nfs/dbraw/zinc/32/00/22/1052320022.db2.gz VHHJYNQDANIENM-OAHLLOKOSA-N 2 1 385.462 3.554 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001311795986 1052403247 /nfs/dbraw/zinc/40/32/47/1052403247.db2.gz NZSOJMRMTXDZNG-XXBNENTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311795986 1052403253 /nfs/dbraw/zinc/40/32/53/1052403253.db2.gz NZSOJMRMTXDZNG-XXBNENTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001311795986 1052403255 /nfs/dbraw/zinc/40/32/55/1052403255.db2.gz NZSOJMRMTXDZNG-XXBNENTESA-N 2 1 398.595 3.530 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001311889872 1052460515 /nfs/dbraw/zinc/46/05/15/1052460515.db2.gz LQCHSPLUAVXWPH-OAQYLSRUSA-N 2 1 378.605 3.737 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001312118456 1052583597 /nfs/dbraw/zinc/58/35/97/1052583597.db2.gz GRYUBBRYFSGCRE-VSKRKVRLSA-N 2 1 386.584 3.555 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001312412660 1052733465 /nfs/dbraw/zinc/73/34/65/1052733465.db2.gz ATHLXOAXPNMEBC-DNVCBOLYSA-N 2 1 398.954 3.549 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CC1 ZINC001312558492 1052790455 /nfs/dbraw/zinc/79/04/55/1052790455.db2.gz HWKJVAREUNBGCN-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001312648263 1052825594 /nfs/dbraw/zinc/82/55/94/1052825594.db2.gz LEFWNFNDPKJTKM-GOTSBHOMSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312648263 1052825597 /nfs/dbraw/zinc/82/55/97/1052825597.db2.gz LEFWNFNDPKJTKM-GOTSBHOMSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312648263 1052825602 /nfs/dbraw/zinc/82/56/02/1052825602.db2.gz LEFWNFNDPKJTKM-GOTSBHOMSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1ccc(NCCNC(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)[nH+]c1 ZINC001313137328 1052966797 /nfs/dbraw/zinc/96/67/97/1052966797.db2.gz CNOOVLZIJOLNDH-OAQYLSRUSA-N 2 1 395.551 3.546 20 0 GHADMP Cc1ccc(NCCNC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)[nH+]c1 ZINC001313137328 1052966801 /nfs/dbraw/zinc/96/68/01/1052966801.db2.gz CNOOVLZIJOLNDH-OAQYLSRUSA-N 2 1 395.551 3.546 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC001313316417 1053016114 /nfs/dbraw/zinc/01/61/14/1053016114.db2.gz RGUJRKDQNOJRJA-FXAWDEMLSA-N 2 1 394.991 3.676 20 0 GHADMP CC[NH+](CC)CC[C@H](C)NC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001313433534 1053053072 /nfs/dbraw/zinc/05/30/72/1053053072.db2.gz RKJNVUDUNCHCCI-RBBKRZOGSA-N 2 1 388.600 3.803 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC001319730455 1055430822 /nfs/dbraw/zinc/43/08/22/1055430822.db2.gz LMEZNKINSCPGAL-OAQYLSRUSA-N 2 1 386.584 3.814 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001323066597 1056916828 /nfs/dbraw/zinc/91/68/28/1056916828.db2.gz ORSIMZQAOZMAHB-GOTSBHOMSA-N 2 1 383.580 3.826 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001323744478 1057008106 /nfs/dbraw/zinc/00/81/06/1057008106.db2.gz MAYNMFXUWUHMMF-XZOQPEGZSA-N 2 1 379.548 3.921 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849084934 1057586902 /nfs/dbraw/zinc/58/69/02/1057586902.db2.gz CWJFWRQUJBXROG-FQEVSTJZSA-N 2 1 380.536 3.611 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC001441234030 1058729487 /nfs/dbraw/zinc/72/94/87/1058729487.db2.gz BNUFHKIOPJNFSU-OAQYLSRUSA-N 2 1 385.939 3.855 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(OCC=C(C)C)c1 ZINC001442926504 1059029695 /nfs/dbraw/zinc/02/96/95/1059029695.db2.gz VCIYPNSQEAFIGO-OAQYLSRUSA-N 2 1 387.568 3.520 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001443208491 1059084466 /nfs/dbraw/zinc/08/44/66/1059084466.db2.gz OLJATZRVWQZGID-HXUWFJFHSA-N 2 1 389.559 3.761 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001443208491 1059084484 /nfs/dbraw/zinc/08/44/84/1059084484.db2.gz OLJATZRVWQZGID-HXUWFJFHSA-N 2 1 389.559 3.761 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001443208491 1059084499 /nfs/dbraw/zinc/08/44/99/1059084499.db2.gz OLJATZRVWQZGID-HXUWFJFHSA-N 2 1 389.559 3.761 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001339582124 1059322266 /nfs/dbraw/zinc/32/22/66/1059322266.db2.gz CCWLEYWXIJXBTA-UXHICEINSA-N 2 1 381.564 3.724 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001445084889 1059458635 /nfs/dbraw/zinc/45/86/35/1059458635.db2.gz JWJALGADSZOFKI-RUZDIDTESA-N 2 1 397.607 3.869 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001445091754 1059459707 /nfs/dbraw/zinc/45/97/07/1059459707.db2.gz QLEHZAORKIQSOH-VWNXMTODSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001445091754 1059459715 /nfs/dbraw/zinc/45/97/15/1059459715.db2.gz QLEHZAORKIQSOH-VWNXMTODSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001445091754 1059459726 /nfs/dbraw/zinc/45/97/26/1059459726.db2.gz QLEHZAORKIQSOH-VWNXMTODSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001445530068 1059554749 /nfs/dbraw/zinc/55/47/49/1059554749.db2.gz XOEFBGIDCZLPBC-RJGXRXQPSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001445530068 1059554769 /nfs/dbraw/zinc/55/47/69/1059554769.db2.gz XOEFBGIDCZLPBC-RJGXRXQPSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001445530068 1059554790 /nfs/dbraw/zinc/55/47/90/1059554790.db2.gz XOEFBGIDCZLPBC-RJGXRXQPSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC001449172801 1060344074 /nfs/dbraw/zinc/34/40/74/1060344074.db2.gz YYOGKHBXZHSUDZ-MOPGFXCFSA-N 2 1 391.987 3.756 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC001341482909 1060712625 /nfs/dbraw/zinc/71/26/25/1060712625.db2.gz LJKOPYTUMKNETP-UHFFFAOYSA-N 2 1 380.311 3.560 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001454125224 1061621130 /nfs/dbraw/zinc/62/11/30/1061621130.db2.gz ZSWOLIMXVQPAMH-FCHUYYIVSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454125224 1061621137 /nfs/dbraw/zinc/62/11/37/1061621137.db2.gz ZSWOLIMXVQPAMH-FCHUYYIVSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454125224 1061621197 /nfs/dbraw/zinc/62/11/97/1061621197.db2.gz ZSWOLIMXVQPAMH-FCHUYYIVSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001436206687 1063290939 /nfs/dbraw/zinc/29/09/39/1063290939.db2.gz UMNDGAGPCYOPTH-KELGSRBJSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC001457967639 1063472908 /nfs/dbraw/zinc/47/29/08/1063472908.db2.gz FKYPFJQNCOCAGX-UQAQOTMJSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001457967639 1063472921 /nfs/dbraw/zinc/47/29/21/1063472921.db2.gz FKYPFJQNCOCAGX-UQAQOTMJSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001457967639 1063472934 /nfs/dbraw/zinc/47/29/34/1063472934.db2.gz FKYPFJQNCOCAGX-UQAQOTMJSA-N 2 1 391.559 3.564 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3cc[nH+]cc3C(F)(F)F)C2)ccn1 ZINC001458507024 1063853861 /nfs/dbraw/zinc/85/38/61/1063853861.db2.gz PXAKNPXWFBBNAQ-MRXNPFEDSA-N 2 1 380.414 3.605 20 0 GHADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCCN1c1cccc(F)c1 ZINC001459305752 1064054596 /nfs/dbraw/zinc/05/45/96/1064054596.db2.gz CDUGLODACALQCL-QFIPXVFZSA-N 2 1 387.543 3.909 20 0 GHADMP CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)CC(C)C ZINC001459396572 1064086086 /nfs/dbraw/zinc/08/60/86/1064086086.db2.gz HVRJNVAIWHFBBO-FQEVSTJZSA-N 2 1 379.976 3.961 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CC4(CO3)CCCCC4)CC2)CC1 ZINC001459610901 1064142300 /nfs/dbraw/zinc/14/23/00/1064142300.db2.gz TVVMHEINCGPXFR-HSZRJFAPSA-N 2 1 391.644 3.854 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CC2(CO1)CCCCC2 ZINC001459610901 1064142304 /nfs/dbraw/zinc/14/23/04/1064142304.db2.gz TVVMHEINCGPXFR-HSZRJFAPSA-N 3 1 391.644 3.854 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CC2(CO1)CCCCC2 ZINC001459610901 1064142309 /nfs/dbraw/zinc/14/23/09/1064142309.db2.gz TVVMHEINCGPXFR-HSZRJFAPSA-N 3 1 391.644 3.854 20 0 GHADMP CN(CC[N@@H+](C)Cc1cc(Cl)cc(Br)c1)C1CC[NH+](C)CC1 ZINC001459887759 1064257699 /nfs/dbraw/zinc/25/76/99/1064257699.db2.gz ZYSUTIUHRCYLQO-UHFFFAOYSA-N 2 1 388.781 3.560 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCc2nccn2C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459925825 1064277932 /nfs/dbraw/zinc/27/79/32/1064277932.db2.gz TULRLHBNIRPVKS-AZUAARDMSA-N 2 1 382.552 3.742 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC001463760966 1064593385 /nfs/dbraw/zinc/59/33/85/1064593385.db2.gz BRPQKHOIPXAGLY-DHIUTWEWSA-N 2 1 397.538 3.908 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001464158115 1064872646 /nfs/dbraw/zinc/87/26/46/1064872646.db2.gz IEVKVQAKIOGNDX-LJQANCHMSA-N 2 1 399.501 3.936 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001464197195 1064902633 /nfs/dbraw/zinc/90/26/33/1064902633.db2.gz XOYFVPYCLPRATJ-FAKFISEUSA-N 2 1 385.596 3.901 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464545310 1065074040 /nfs/dbraw/zinc/07/40/40/1065074040.db2.gz KKAOENSOTCXXCD-YFNKSVMNSA-N 2 1 397.607 3.773 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464545310 1065074049 /nfs/dbraw/zinc/07/40/49/1065074049.db2.gz KKAOENSOTCXXCD-YFNKSVMNSA-N 2 1 397.607 3.773 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464545310 1065074060 /nfs/dbraw/zinc/07/40/60/1065074060.db2.gz KKAOENSOTCXXCD-YFNKSVMNSA-N 2 1 397.607 3.773 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464545307 1065074419 /nfs/dbraw/zinc/07/44/19/1065074419.db2.gz KKAOENSOTCXXCD-OEMFJLHTSA-N 2 1 397.607 3.773 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464545307 1065074426 /nfs/dbraw/zinc/07/44/26/1065074426.db2.gz KKAOENSOTCXXCD-OEMFJLHTSA-N 2 1 397.607 3.773 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464545307 1065074437 /nfs/dbraw/zinc/07/44/37/1065074437.db2.gz KKAOENSOTCXXCD-OEMFJLHTSA-N 2 1 397.607 3.773 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)c1 ZINC001353495280 1065977362 /nfs/dbraw/zinc/97/73/62/1065977362.db2.gz LJPJRBKWGUGUSK-GIVPXCGWSA-N 2 1 396.535 3.541 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C2CC2)cc1F ZINC001467195330 1067141423 /nfs/dbraw/zinc/14/14/23/1067141423.db2.gz XGUFQKXTFASXJF-GOSISDBHSA-N 2 1 376.520 3.583 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC001467575243 1067367451 /nfs/dbraw/zinc/36/74/51/1067367451.db2.gz HDFBHKRLGIKXIH-OAQYLSRUSA-N 2 1 392.632 3.987 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001467734710 1067442819 /nfs/dbraw/zinc/44/28/19/1067442819.db2.gz NONYHTFZSFQPHJ-NRFANRHFSA-N 2 1 378.605 3.595 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001467858478 1067501237 /nfs/dbraw/zinc/50/12/37/1067501237.db2.gz FBBNZCNUOGXLQI-UHFFFAOYSA-N 2 1 388.600 3.838 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC001467873084 1067510386 /nfs/dbraw/zinc/51/03/86/1067510386.db2.gz YUWICMFCBIJIDK-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001467873084 1067510393 /nfs/dbraw/zinc/51/03/93/1067510393.db2.gz YUWICMFCBIJIDK-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001467873084 1067510396 /nfs/dbraw/zinc/51/03/96/1067510396.db2.gz YUWICMFCBIJIDK-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902351 1067520554 /nfs/dbraw/zinc/52/05/54/1067520554.db2.gz CBHCKPJWTZOGRI-UYAOXDASSA-N 2 1 379.976 3.961 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902351 1067520564 /nfs/dbraw/zinc/52/05/64/1067520564.db2.gz CBHCKPJWTZOGRI-UYAOXDASSA-N 2 1 379.976 3.961 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902351 1067520572 /nfs/dbraw/zinc/52/05/72/1067520572.db2.gz CBHCKPJWTZOGRI-UYAOXDASSA-N 2 1 379.976 3.961 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)CC(C)C ZINC001467950348 1067542992 /nfs/dbraw/zinc/54/29/92/1067542992.db2.gz NRNWUPUXRGHCTI-SFTDATJTSA-N 2 1 380.621 3.839 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001468115425 1067600380 /nfs/dbraw/zinc/60/03/80/1067600380.db2.gz VVEDDPCGLOFFRX-IRLDBZIGSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001468115425 1067600386 /nfs/dbraw/zinc/60/03/86/1067600386.db2.gz VVEDDPCGLOFFRX-IRLDBZIGSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001468115425 1067600390 /nfs/dbraw/zinc/60/03/90/1067600390.db2.gz VVEDDPCGLOFFRX-IRLDBZIGSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001468177454 1067621739 /nfs/dbraw/zinc/62/17/39/1067621739.db2.gz QRULODVRPYMQER-QFIPXVFZSA-N 2 1 388.600 3.737 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001468247117 1067650116 /nfs/dbraw/zinc/65/01/16/1067650116.db2.gz FHGCUVOBKRSISH-FLPIEVNYSA-N 2 1 378.605 3.593 20 0 GHADMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000849104478 1067730088 /nfs/dbraw/zinc/73/00/88/1067730088.db2.gz QPHGDEIWKOEKCW-JOCHJYFZSA-N 2 1 396.535 3.701 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001468688615 1067825500 /nfs/dbraw/zinc/82/55/00/1067825500.db2.gz QGKXCFYAPMVYTR-OXJNMPFZSA-N 2 1 394.991 3.752 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC001468688615 1067825510 /nfs/dbraw/zinc/82/55/10/1067825510.db2.gz QGKXCFYAPMVYTR-OXJNMPFZSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001468745866 1067858089 /nfs/dbraw/zinc/85/80/89/1067858089.db2.gz GUSVHTWFYZILJH-FQEVSTJZSA-N 2 1 388.600 3.982 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC001468762937 1067866960 /nfs/dbraw/zinc/86/69/60/1067866960.db2.gz CMUOKZKEANITDI-FQEVSTJZSA-N 2 1 394.648 3.896 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC001477868230 1078603633 /nfs/dbraw/zinc/60/36/33/1078603633.db2.gz YHVUIPDLGZNYKO-FQEVSTJZSA-N 2 1 380.621 3.842 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC1CCCCC1 ZINC001468788751 1067882845 /nfs/dbraw/zinc/88/28/45/1067882845.db2.gz YECXECZVGQMGOQ-CTNGQTDRSA-N 2 1 380.621 3.793 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC001477907216 1078622233 /nfs/dbraw/zinc/62/22/33/1078622233.db2.gz XUNWSIHHYVDVDH-NQIIRXRSSA-N 2 1 386.584 3.822 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C[NH+]1Cc1ccccc1 ZINC001469433252 1068160984 /nfs/dbraw/zinc/16/09/84/1068160984.db2.gz XSWPGQLERLOUFA-SWUCNREESA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C[N@@H+]1Cc1ccccc1 ZINC001469433252 1068160990 /nfs/dbraw/zinc/16/09/90/1068160990.db2.gz XSWPGQLERLOUFA-SWUCNREESA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C[N@H+]1Cc1ccccc1 ZINC001469433252 1068160996 /nfs/dbraw/zinc/16/09/96/1068160996.db2.gz XSWPGQLERLOUFA-SWUCNREESA-N 2 1 398.595 3.603 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001469686013 1068309060 /nfs/dbraw/zinc/30/90/60/1068309060.db2.gz HMLJQXCILXVRBS-JTHBVZDNSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001469686013 1068309076 /nfs/dbraw/zinc/30/90/76/1068309076.db2.gz HMLJQXCILXVRBS-JTHBVZDNSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001469686013 1068309093 /nfs/dbraw/zinc/30/90/93/1068309093.db2.gz HMLJQXCILXVRBS-JTHBVZDNSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001469686013 1068309116 /nfs/dbraw/zinc/30/91/16/1068309116.db2.gz HMLJQXCILXVRBS-JTHBVZDNSA-N 2 1 392.547 3.527 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)C ZINC001478056567 1078694181 /nfs/dbraw/zinc/69/41/81/1078694181.db2.gz CVMZUAGCWIAMEW-UZKOGDIHSA-N 2 1 386.584 3.550 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)cc1 ZINC001478083246 1078707577 /nfs/dbraw/zinc/70/75/77/1078707577.db2.gz FZOXMKYSTOPYNK-PMACEKPBSA-N 2 1 392.975 3.649 20 0 GHADMP CCOc1ccc(-c2nc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)co2)cc1 ZINC001460307132 1068916815 /nfs/dbraw/zinc/91/68/15/1068916815.db2.gz YYQJZAWEGZCYHE-UHFFFAOYSA-N 2 1 378.476 3.848 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)co2)cc1 ZINC001460307132 1068916816 /nfs/dbraw/zinc/91/68/16/1068916816.db2.gz YYQJZAWEGZCYHE-UHFFFAOYSA-N 2 1 378.476 3.848 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC001460695085 1069093262 /nfs/dbraw/zinc/09/32/62/1069093262.db2.gz YUOXCUSWAGDJEF-LJQANCHMSA-N 2 1 381.923 3.782 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1CCC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC001478928668 1079029640 /nfs/dbraw/zinc/02/96/40/1079029640.db2.gz GGIVQJGUJWLPQQ-UHFFFAOYSA-N 2 1 388.600 3.805 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1CCC[N@@H+](C(C)C)CC1)Cc1ccccc1 ZINC001478928668 1079029645 /nfs/dbraw/zinc/02/96/45/1079029645.db2.gz GGIVQJGUJWLPQQ-UHFFFAOYSA-N 2 1 388.600 3.805 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1CCC[N@H+](C(C)C)CC1)Cc1ccccc1 ZINC001478928668 1079029651 /nfs/dbraw/zinc/02/96/51/1079029651.db2.gz GGIVQJGUJWLPQQ-UHFFFAOYSA-N 2 1 388.600 3.805 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001471571843 1073141734 /nfs/dbraw/zinc/14/17/34/1073141734.db2.gz QPIKCXYFMHYHGP-FQEVSTJZSA-N 2 1 375.601 3.898 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001478984306 1079050987 /nfs/dbraw/zinc/05/09/87/1079050987.db2.gz MINFFAKLJHDNGO-IRLDBZIGSA-N 2 1 390.616 3.691 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001479016193 1079065260 /nfs/dbraw/zinc/06/52/60/1079065260.db2.gz SQPHOEBKYWOPNM-HSZRJFAPSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001479016193 1079065267 /nfs/dbraw/zinc/06/52/67/1079065267.db2.gz SQPHOEBKYWOPNM-HSZRJFAPSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1Cc1ccccc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001479016193 1079065268 /nfs/dbraw/zinc/06/52/68/1079065268.db2.gz SQPHOEBKYWOPNM-HSZRJFAPSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](CC(C)C)C2CCCC2)CC1 ZINC001473125124 1073792325 /nfs/dbraw/zinc/79/23/25/1073792325.db2.gz LEXVKJRGZSBVBV-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](CC(C)C)C2CCCC2)CC1 ZINC001473125124 1073792330 /nfs/dbraw/zinc/79/23/30/1073792330.db2.gz LEXVKJRGZSBVBV-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CC(C)C)C2CCCC2)CC1 ZINC001473125124 1073792338 /nfs/dbraw/zinc/79/23/38/1073792338.db2.gz LEXVKJRGZSBVBV-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCCC[C@H]2C(C)C)CC1 ZINC001473318599 1073918705 /nfs/dbraw/zinc/91/87/05/1073918705.db2.gz VIKQQIBCZJRCEQ-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCCC[C@H]2C(C)C)CC1 ZINC001473318599 1073918709 /nfs/dbraw/zinc/91/87/09/1073918709.db2.gz VIKQQIBCZJRCEQ-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCCC[C@H]2C(C)C)CC1 ZINC001473318599 1073918710 /nfs/dbraw/zinc/91/87/10/1073918710.db2.gz VIKQQIBCZJRCEQ-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569393 1074021154 /nfs/dbraw/zinc/02/11/54/1074021154.db2.gz LRDPKPSMULVUBC-BJKOFHAPSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569393 1074021156 /nfs/dbraw/zinc/02/11/56/1074021156.db2.gz LRDPKPSMULVUBC-BJKOFHAPSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569393 1074021165 /nfs/dbraw/zinc/02/11/65/1074021165.db2.gz LRDPKPSMULVUBC-BJKOFHAPSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F)c1ccccc1 ZINC001473581675 1074030304 /nfs/dbraw/zinc/03/03/04/1074030304.db2.gz QNTVMGJHWWRIOC-UPVQGACJSA-N 2 1 397.538 3.642 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)cc2)CCO1 ZINC001473677833 1074080767 /nfs/dbraw/zinc/08/07/67/1074080767.db2.gz NCMCNGZKGDVPGP-JOCHJYFZSA-N 2 1 386.511 3.947 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)CCO1 ZINC001473677833 1074080775 /nfs/dbraw/zinc/08/07/75/1074080775.db2.gz NCMCNGZKGDVPGP-JOCHJYFZSA-N 2 1 386.511 3.947 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716958 1074104532 /nfs/dbraw/zinc/10/45/32/1074104532.db2.gz NSZFXVKYEPIXDQ-SFTDATJTSA-N 2 1 377.617 3.858 20 0 GHADMP CC(C)C[N@H+](CC(=O)Nc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC001473739345 1074117379 /nfs/dbraw/zinc/11/73/79/1074117379.db2.gz OTDAIROHWAGBAU-UHFFFAOYSA-N 2 1 396.373 3.687 20 0 GHADMP Cc1ccc([C@H]2CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2(C)C)cc1 ZINC001473750534 1074122913 /nfs/dbraw/zinc/12/29/13/1074122913.db2.gz JVJCNWFJSJRPPM-PKTZIBPZSA-N 2 1 393.575 3.982 20 0 GHADMP CCC[C@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001473933134 1074209666 /nfs/dbraw/zinc/20/96/66/1074209666.db2.gz DPZDYVMDLPRAIE-HSZRJFAPSA-N 2 1 379.548 3.748 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474570980 1074468102 /nfs/dbraw/zinc/46/81/02/1074468102.db2.gz MITTWWFLCXEHFV-XUBOLADHSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC001474686516 1074515038 /nfs/dbraw/zinc/51/50/38/1074515038.db2.gz YESVYXBSAVCBJN-GOSISDBHSA-N 2 1 396.535 3.817 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419657 599379538 /nfs/dbraw/zinc/37/95/38/599379538.db2.gz JAQFLNZRGWCDCD-FNHZYXHNSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419657 599379541 /nfs/dbraw/zinc/37/95/41/599379541.db2.gz JAQFLNZRGWCDCD-FNHZYXHNSA-N 2 1 382.537 3.662 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4ccc(C[NH+]5CCCC5)cn4)[C@@H]3C2)cc1 ZINC001164625877 719096637 /nfs/dbraw/zinc/09/66/37/719096637.db2.gz HEWXRASKIYNUGC-XZOQPEGZSA-N 2 1 376.548 3.778 20 0 GHADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164637223 719237507 /nfs/dbraw/zinc/23/75/07/719237507.db2.gz UTLAUXSWXLMBOM-JKSUJKDBSA-N 2 1 399.608 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164637223 719237510 /nfs/dbraw/zinc/23/75/10/719237510.db2.gz UTLAUXSWXLMBOM-JKSUJKDBSA-N 2 1 399.608 3.695 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1C ZINC001164791327 721496277 /nfs/dbraw/zinc/49/62/77/721496277.db2.gz ANKDUYLAEXTNSQ-UHFFFAOYSA-N 2 1 390.535 3.851 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1C ZINC001164791327 721496283 /nfs/dbraw/zinc/49/62/83/721496283.db2.gz ANKDUYLAEXTNSQ-UHFFFAOYSA-N 2 1 390.535 3.851 20 0 GHADMP FC1(F)CCN(c2cc3[nH]ccc3c[nH+]2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905541 721586844 /nfs/dbraw/zinc/58/68/44/721586844.db2.gz JTESGAMWYNQJSX-HXUWFJFHSA-N 2 1 383.446 3.696 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000685922502 837448134 /nfs/dbraw/zinc/44/81/34/837448134.db2.gz XBTDLWNWJCTBMK-QZTJIDSGSA-N 2 1 380.602 3.549 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689394 837609747 /nfs/dbraw/zinc/60/97/47/837609747.db2.gz CGQWZHDXOKGRCB-HYBUGGRVSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689394 837609751 /nfs/dbraw/zinc/60/97/51/837609751.db2.gz CGQWZHDXOKGRCB-HYBUGGRVSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689394 837609758 /nfs/dbraw/zinc/60/97/58/837609758.db2.gz CGQWZHDXOKGRCB-HYBUGGRVSA-N 3 1 385.596 3.652 20 0 GHADMP Brc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000655696925 837687755 /nfs/dbraw/zinc/68/77/55/837687755.db2.gz BOSBLIBZPXJYKN-LJQANCHMSA-N 2 1 393.369 3.714 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000655696703 837688328 /nfs/dbraw/zinc/68/83/28/837688328.db2.gz JLYKBVLOHBAEGW-CYFREDJKSA-N 2 1 395.547 3.955 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000655705041 837694590 /nfs/dbraw/zinc/69/45/90/837694590.db2.gz URQMIHOMUARYDX-LJQANCHMSA-N 2 1 395.385 3.960 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000274619204 834493724 /nfs/dbraw/zinc/49/37/24/834493724.db2.gz VUSKPJVSXDJDPR-BSMGPNNRSA-N 2 1 379.548 3.855 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000274619204 834493736 /nfs/dbraw/zinc/49/37/36/834493736.db2.gz VUSKPJVSXDJDPR-BSMGPNNRSA-N 2 1 379.548 3.855 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000583516653 834554037 /nfs/dbraw/zinc/55/40/37/834554037.db2.gz HSNHQYXVTCVACI-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000583516653 834554047 /nfs/dbraw/zinc/55/40/47/834554047.db2.gz HSNHQYXVTCVACI-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000583516653 834554057 /nfs/dbraw/zinc/55/40/57/834554057.db2.gz HSNHQYXVTCVACI-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000458572391 834559007 /nfs/dbraw/zinc/55/90/07/834559007.db2.gz DOYAPUIYPJRCJJ-MSOLQXFVSA-N 2 1 380.964 3.505 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000458572391 834559015 /nfs/dbraw/zinc/55/90/15/834559015.db2.gz DOYAPUIYPJRCJJ-MSOLQXFVSA-N 2 1 380.964 3.505 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000583526368 834570462 /nfs/dbraw/zinc/57/04/62/834570462.db2.gz IKBWJMOANSCVPN-WENLIBGGSA-N 2 1 382.552 3.623 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000089214887 834573442 /nfs/dbraw/zinc/57/34/42/834573442.db2.gz HENRMQOCHGCAMQ-OFNKIYASSA-N 3 1 378.564 3.941 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000089214887 834573452 /nfs/dbraw/zinc/57/34/52/834573452.db2.gz HENRMQOCHGCAMQ-OFNKIYASSA-N 3 1 378.564 3.941 20 0 GHADMP C[C@H]1C[C@H](NCc2cccnc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090942529 834614680 /nfs/dbraw/zinc/61/46/80/834614680.db2.gz LWEAOVFZDDOMDD-QFBILLFUSA-N 2 1 375.463 3.868 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)cc1 ZINC000657771618 834656196 /nfs/dbraw/zinc/65/61/96/834656196.db2.gz DMSRIEIKGMCYMA-GOSISDBHSA-N 2 1 383.319 3.757 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OCC(C)C ZINC000650722482 834689644 /nfs/dbraw/zinc/68/96/44/834689644.db2.gz VJKFGFYPZIICLN-SBHAEUEKSA-N 2 1 376.541 3.591 20 0 GHADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1cccc(Br)c1 ZINC000650723813 834705760 /nfs/dbraw/zinc/70/57/60/834705760.db2.gz UGZFHKABAUAEIG-ZWQIFLOQSA-N 2 1 381.358 3.913 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(COc3ccccc3)n2)C1 ZINC000650723938 834707773 /nfs/dbraw/zinc/70/77/73/834707773.db2.gz WBVUAZAGRNWTDU-NSISKUIASA-N 2 1 387.549 3.583 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(COc3ccccc3)n2)C1 ZINC000650723938 834707779 /nfs/dbraw/zinc/70/77/79/834707779.db2.gz WBVUAZAGRNWTDU-NSISKUIASA-N 2 1 387.549 3.583 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000583612997 834758104 /nfs/dbraw/zinc/75/81/04/834758104.db2.gz LTOXORCAUXJLMQ-GOSISDBHSA-N 2 1 384.568 3.841 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000472296057 834781761 /nfs/dbraw/zinc/78/17/61/834781761.db2.gz SVJRNJOTZLBINH-WMZOPIPTSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000472296057 834781768 /nfs/dbraw/zinc/78/17/68/834781768.db2.gz SVJRNJOTZLBINH-WMZOPIPTSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000536098134 834848116 /nfs/dbraw/zinc/84/81/16/834848116.db2.gz JAPBZZUTULKMCJ-GOTSBHOMSA-N 2 1 394.563 3.773 20 0 GHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000657881530 834888098 /nfs/dbraw/zinc/88/80/98/834888098.db2.gz SZWWBCQCLXWLQL-RTBURBONSA-N 2 1 383.374 3.597 20 0 GHADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000151140937 835040911 /nfs/dbraw/zinc/04/09/11/835040911.db2.gz GATOEFJLTIXUAK-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000151140937 835040920 /nfs/dbraw/zinc/04/09/20/835040920.db2.gz GATOEFJLTIXUAK-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000511312326 835212989 /nfs/dbraw/zinc/21/29/89/835212989.db2.gz BPSGOBWCJMPGCQ-PSQXASKDSA-N 2 1 394.559 3.709 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000511312326 835212995 /nfs/dbraw/zinc/21/29/95/835212995.db2.gz BPSGOBWCJMPGCQ-PSQXASKDSA-N 2 1 394.559 3.709 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C3CCC3)C3CCCC3)CC2)CC1 ZINC000655158173 835310111 /nfs/dbraw/zinc/31/01/11/835310111.db2.gz QSXSXZZHELLZJK-QFIPXVFZSA-N 2 1 375.601 3.658 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132142841 835315057 /nfs/dbraw/zinc/31/50/57/835315057.db2.gz NKMNDMBQFCFDMH-WMZHIEFXSA-N 2 1 388.515 3.997 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132143256 835315367 /nfs/dbraw/zinc/31/53/67/835315367.db2.gz NKMNDMBQFCFDMH-CVDCTZTESA-N 2 1 388.515 3.997 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472351730 835328386 /nfs/dbraw/zinc/32/83/86/835328386.db2.gz XPNIRULXBCGVMY-ZJSXRUAMSA-N 3 1 389.547 3.748 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472351730 835328394 /nfs/dbraw/zinc/32/83/94/835328394.db2.gz XPNIRULXBCGVMY-ZJSXRUAMSA-N 2 1 389.547 3.748 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472351730 835328400 /nfs/dbraw/zinc/32/84/00/835328400.db2.gz XPNIRULXBCGVMY-ZJSXRUAMSA-N 2 1 389.547 3.748 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000512517282 844044947 /nfs/dbraw/zinc/04/49/47/844044947.db2.gz TYJMHFYJHLHGCA-UHFFFAOYSA-N 2 1 396.554 3.858 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000612046789 835432839 /nfs/dbraw/zinc/43/28/39/835432839.db2.gz GKXKYQSFDCHJCR-VXKWHMMOSA-N 2 1 389.628 3.858 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)C3)cc1 ZINC000658103069 835434603 /nfs/dbraw/zinc/43/46/03/835434603.db2.gz GUOWCWNEMVBGMM-NUNAXRQHSA-N 2 1 376.548 3.967 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccnc2N2CCCC2)C3)cc1 ZINC000658103069 835434607 /nfs/dbraw/zinc/43/46/07/835434607.db2.gz GUOWCWNEMVBGMM-NUNAXRQHSA-N 2 1 376.548 3.967 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000612048156 835435927 /nfs/dbraw/zinc/43/59/27/835435927.db2.gz YRWJMVYVZAZMBF-HXUWFJFHSA-N 2 1 375.601 3.612 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C2CC2)cc1 ZINC000612049789 835436572 /nfs/dbraw/zinc/43/65/72/835436572.db2.gz JJILYINZZSNGPR-UHFFFAOYSA-N 2 1 383.580 3.832 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](Cc3ccncc3)c3cccs3)cc2)C1 ZINC000658135303 835445314 /nfs/dbraw/zinc/44/53/14/835445314.db2.gz DAFICSVNAGMWSQ-FGZHOGPDSA-N 2 1 393.556 3.783 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)CC(C)C ZINC000069154885 835499583 /nfs/dbraw/zinc/49/95/83/835499583.db2.gz WFZOTUPSKGNRSU-FQEVSTJZSA-N 2 1 394.629 3.536 20 0 GHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318637 835572134 /nfs/dbraw/zinc/57/21/34/835572134.db2.gz RDXOPVFBBHPXAH-GOTSBHOMSA-N 2 1 386.580 3.710 20 0 GHADMP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC(F)(F)CC1 ZINC000658321603 835573646 /nfs/dbraw/zinc/57/36/46/835573646.db2.gz RAGTWEUHJZCCBH-SLFFLAALSA-N 2 1 378.507 3.817 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000109311159 835796988 /nfs/dbraw/zinc/79/69/88/835796988.db2.gz CZXAHURVIKCSNN-GOTSBHOMSA-N 2 1 379.548 3.626 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208999707 835835666 /nfs/dbraw/zinc/83/56/66/835835666.db2.gz RRRMNFMCDHRJIF-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208999707 835835673 /nfs/dbraw/zinc/83/56/73/835835673.db2.gz RRRMNFMCDHRJIF-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208999707 835835679 /nfs/dbraw/zinc/83/56/79/835835679.db2.gz RRRMNFMCDHRJIF-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208999707 835835688 /nfs/dbraw/zinc/83/56/88/835835688.db2.gz RRRMNFMCDHRJIF-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169139459 835858128 /nfs/dbraw/zinc/85/81/28/835858128.db2.gz XYIFDMAQYBOXJV-DJIMGWMZSA-N 2 1 385.474 3.578 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000180172514 836101645 /nfs/dbraw/zinc/10/16/45/836101645.db2.gz SXOJHUMQUYPBMC-VXNXHJTFSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000180172514 836101651 /nfs/dbraw/zinc/10/16/51/836101651.db2.gz SXOJHUMQUYPBMC-VXNXHJTFSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000180172514 836101660 /nfs/dbraw/zinc/10/16/60/836101660.db2.gz SXOJHUMQUYPBMC-VXNXHJTFSA-N 2 1 397.607 3.522 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000047453990 836224408 /nfs/dbraw/zinc/22/44/08/836224408.db2.gz IKVIBQAWCGMLAG-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000047453990 836224417 /nfs/dbraw/zinc/22/44/17/836224417.db2.gz IKVIBQAWCGMLAG-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000612565519 836411361 /nfs/dbraw/zinc/41/13/61/836411361.db2.gz PCYYCXYYDOWHHH-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCCOc1cccc(C)c1 ZINC000647490620 836564723 /nfs/dbraw/zinc/56/47/23/836564723.db2.gz DTWACGYGIVNXLA-HXUWFJFHSA-N 2 1 384.520 3.632 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCCOc1cccc(C)c1 ZINC000647490620 836564727 /nfs/dbraw/zinc/56/47/27/836564727.db2.gz DTWACGYGIVNXLA-HXUWFJFHSA-N 2 1 384.520 3.632 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000067222978 844208283 /nfs/dbraw/zinc/20/82/83/844208283.db2.gz SQCMIWGQERJVOR-LJQANCHMSA-N 2 1 387.524 3.701 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414281915 836901115 /nfs/dbraw/zinc/90/11/15/836901115.db2.gz GYFYJCWGKQEYCA-INIZCTEOSA-N 2 1 392.590 3.816 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414281915 836901118 /nfs/dbraw/zinc/90/11/18/836901118.db2.gz GYFYJCWGKQEYCA-INIZCTEOSA-N 2 1 392.590 3.816 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175646005 836926204 /nfs/dbraw/zinc/92/62/04/836926204.db2.gz FGCBQCJBBVGXQO-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC000175646005 836926208 /nfs/dbraw/zinc/92/62/08/836926208.db2.gz FGCBQCJBBVGXQO-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC000175646005 836926220 /nfs/dbraw/zinc/92/62/20/836926220.db2.gz FGCBQCJBBVGXQO-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP C[NH+](CCCCCCCCC[N@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000275403978 836986999 /nfs/dbraw/zinc/98/69/99/836986999.db2.gz CFWUIEGPWUZTGB-UHFFFAOYSA-N 2 1 398.599 3.646 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2c1C ZINC000052279710 844241674 /nfs/dbraw/zinc/24/16/74/844241674.db2.gz PJMWYKQPNFZJQF-IAGOWNOFSA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2c1C ZINC000052279710 844241680 /nfs/dbraw/zinc/24/16/80/844241680.db2.gz PJMWYKQPNFZJQF-IAGOWNOFSA-N 2 1 385.581 3.943 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000510266364 837211032 /nfs/dbraw/zinc/21/10/32/837211032.db2.gz ZDIYIODREMDTRJ-GCSDAJTLSA-N 2 1 389.628 3.904 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513066985 844253935 /nfs/dbraw/zinc/25/39/35/844253935.db2.gz DBVSYURKODPXBV-WTIAFYNJSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513066985 844253944 /nfs/dbraw/zinc/25/39/44/844253944.db2.gz DBVSYURKODPXBV-WTIAFYNJSA-N 2 1 379.548 3.849 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000472593868 837290073 /nfs/dbraw/zinc/29/00/73/837290073.db2.gz BULIADRHMKBTQX-UHFFFAOYSA-N 2 1 389.341 3.899 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000472593868 837290083 /nfs/dbraw/zinc/29/00/83/837290083.db2.gz BULIADRHMKBTQX-UHFFFAOYSA-N 2 1 389.341 3.899 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001125832602 837856031 /nfs/dbraw/zinc/85/60/31/837856031.db2.gz KDXAPWXCYKAXJM-WOJBJXKFSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001125832602 837856046 /nfs/dbraw/zinc/85/60/46/837856046.db2.gz KDXAPWXCYKAXJM-WOJBJXKFSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125832602 837856054 /nfs/dbraw/zinc/85/60/54/837856054.db2.gz KDXAPWXCYKAXJM-WOJBJXKFSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125832602 837856064 /nfs/dbraw/zinc/85/60/64/837856064.db2.gz KDXAPWXCYKAXJM-WOJBJXKFSA-N 2 1 377.960 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000051129923 837921013 /nfs/dbraw/zinc/92/10/13/837921013.db2.gz JFVBHSWKOUZCDE-IBGZPJMESA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000051129923 837921022 /nfs/dbraw/zinc/92/10/22/837921022.db2.gz JFVBHSWKOUZCDE-IBGZPJMESA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000051180558 837932929 /nfs/dbraw/zinc/93/29/29/837932929.db2.gz JBLUNNPPCGUHED-XMMPIXPASA-N 2 1 391.559 3.913 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377764321 837939797 /nfs/dbraw/zinc/93/97/97/837939797.db2.gz QWIRTNSPGYGRJY-YADHBBJMSA-N 2 1 392.547 3.734 20 0 GHADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579949481 837959302 /nfs/dbraw/zinc/95/93/02/837959302.db2.gz QENQIRCMSAJFLR-PMACEKPBSA-N 2 1 397.567 3.601 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000164608947 837960465 /nfs/dbraw/zinc/96/04/65/837960465.db2.gz GRFOVQICSCLALM-INIZCTEOSA-N 2 1 376.932 3.813 20 0 GHADMP Nc1nc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccccc12 ZINC000535679414 844284563 /nfs/dbraw/zinc/28/45/63/844284563.db2.gz GICGOUVJHIYZIF-UHFFFAOYSA-N 2 1 387.531 3.530 20 0 GHADMP Nc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2ccccc12 ZINC000535679414 844284567 /nfs/dbraw/zinc/28/45/67/844284567.db2.gz GICGOUVJHIYZIF-UHFFFAOYSA-N 2 1 387.531 3.530 20 0 GHADMP Nc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc2ccccc12 ZINC000535679414 844284578 /nfs/dbraw/zinc/28/45/78/844284578.db2.gz GICGOUVJHIYZIF-UHFFFAOYSA-N 2 1 387.531 3.530 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535671319 844291282 /nfs/dbraw/zinc/29/12/82/844291282.db2.gz AZLPQWGPCXUTBK-ZSZQSSIHSA-N 2 1 398.954 3.501 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535671319 844291292 /nfs/dbraw/zinc/29/12/92/844291292.db2.gz AZLPQWGPCXUTBK-ZSZQSSIHSA-N 2 1 398.954 3.501 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535671319 844291307 /nfs/dbraw/zinc/29/13/07/844291307.db2.gz AZLPQWGPCXUTBK-ZSZQSSIHSA-N 2 1 398.954 3.501 20 0 GHADMP CN(C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCCC1 ZINC000535680701 844300916 /nfs/dbraw/zinc/30/09/16/844300916.db2.gz OSEKLNDMXXGYHV-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659285399 838202308 /nfs/dbraw/zinc/20/23/08/838202308.db2.gz OBNSLRLTGQFZLV-FDDCHVKYSA-N 2 1 377.532 3.912 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000052210003 844305371 /nfs/dbraw/zinc/30/53/71/844305371.db2.gz XRRDTDUQYBLRQT-UHFFFAOYSA-N 2 1 379.976 3.790 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415898803 838253415 /nfs/dbraw/zinc/25/34/15/838253415.db2.gz RQJDPGOVILOEFQ-JOCHJYFZSA-N 2 1 380.536 3.610 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2ncccc2c1 ZINC000378008461 838275865 /nfs/dbraw/zinc/27/58/65/838275865.db2.gz QQCPVRKJZUIUDL-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415920305 838278490 /nfs/dbraw/zinc/27/84/90/838278490.db2.gz OPMRXKQYAUYOFJ-WIYYLYMNSA-N 2 1 380.536 3.828 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(OCC[NH3+])cc3)cc2)C1 ZINC000415940681 838294007 /nfs/dbraw/zinc/29/40/07/838294007.db2.gz UHBNJRIYOKCVJJ-GOSISDBHSA-N 2 1 396.535 3.578 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)N(C(C)C)C(C)C)C2)s1 ZINC000564801234 838303677 /nfs/dbraw/zinc/30/36/77/838303677.db2.gz CYDDYDKTRYRQQQ-RBUKOAKNSA-N 2 1 379.614 3.844 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415960512 838319750 /nfs/dbraw/zinc/31/97/50/838319750.db2.gz PUFGQTVNXADPCH-DLBZAZTESA-N 2 1 396.510 3.598 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415963892 838322800 /nfs/dbraw/zinc/32/28/00/838322800.db2.gz WLAXYGOENCGCCU-SJORKVTESA-N 2 1 388.531 3.590 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415996403 838373937 /nfs/dbraw/zinc/37/39/37/838373937.db2.gz MRNLTBCRLVSPKI-NFBKMPQASA-N 2 1 390.531 3.808 20 0 GHADMP CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415997627 838386890 /nfs/dbraw/zinc/38/68/90/838386890.db2.gz QBSKTGKDTVOBEU-HTAPYJJXSA-N 2 1 378.520 3.979 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000416023692 838412313 /nfs/dbraw/zinc/41/23/13/838412313.db2.gz ZXVHLZLQBIYBEM-UHFFFAOYSA-N 2 1 384.911 3.683 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000416023692 838412320 /nfs/dbraw/zinc/41/23/20/838412320.db2.gz ZXVHLZLQBIYBEM-UHFFFAOYSA-N 2 1 384.911 3.683 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275691003 838425073 /nfs/dbraw/zinc/42/50/73/838425073.db2.gz WYGSLIGUXHOHQP-QESAQDPVSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275691003 838425075 /nfs/dbraw/zinc/42/50/75/838425075.db2.gz WYGSLIGUXHOHQP-QESAQDPVSA-N 2 1 382.552 3.766 20 0 GHADMP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000188005961 838469874 /nfs/dbraw/zinc/46/98/74/838469874.db2.gz RKSVPNMNSAYNFC-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275729232 838588438 /nfs/dbraw/zinc/58/84/38/838588438.db2.gz XAJSKPFGGBZDHT-KNQAVFIVSA-N 2 1 394.563 3.823 20 0 GHADMP CCCC(C)(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccs1 ZINC000549415635 838840367 /nfs/dbraw/zinc/84/03/67/838840367.db2.gz ZPRNUHOBVJTTSR-UHFFFAOYSA-N 2 1 377.598 3.872 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000548064297 838904561 /nfs/dbraw/zinc/90/45/61/838904561.db2.gz OGBRZMYOQGHHSW-LAUBAEHRSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000548064297 838904569 /nfs/dbraw/zinc/90/45/69/838904569.db2.gz OGBRZMYOQGHHSW-LAUBAEHRSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000548064297 838904580 /nfs/dbraw/zinc/90/45/80/838904580.db2.gz OGBRZMYOQGHHSW-LAUBAEHRSA-N 2 1 377.598 3.902 20 0 GHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C3CC3)C3CCCCC3)CC2)cc1 ZINC000613630444 838930900 /nfs/dbraw/zinc/93/09/00/838930900.db2.gz VVWIPWNPQXVGDN-UHFFFAOYSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C3CC3)C3CCCCC3)CC2)cc1 ZINC000613630444 838930913 /nfs/dbraw/zinc/93/09/13/838930913.db2.gz VVWIPWNPQXVGDN-UHFFFAOYSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C3CC3)C3CCCCC3)CC2)cc1 ZINC000613630444 838930924 /nfs/dbraw/zinc/93/09/24/838930924.db2.gz VVWIPWNPQXVGDN-UHFFFAOYSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C3CC3)C3CCCCC3)CC2)cc1 ZINC000613630444 838930930 /nfs/dbraw/zinc/93/09/30/838930930.db2.gz VVWIPWNPQXVGDN-UHFFFAOYSA-N 2 1 399.579 3.527 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415100925 839206109 /nfs/dbraw/zinc/20/61/09/839206109.db2.gz AWGGXDAGGIJHTM-IBGZPJMESA-N 2 1 379.508 3.514 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Cl)ccc3Br)CC2)C1 ZINC000415126526 839233259 /nfs/dbraw/zinc/23/32/59/839233259.db2.gz PLXPWLYDBGMIFL-NVXWUHKLSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+]C1(CNCc2ccc(Br)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133070 839260509 /nfs/dbraw/zinc/26/05/09/839260509.db2.gz MGUNUCCMXZUFSZ-UHFFFAOYSA-N 2 1 394.382 3.594 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000163722423 839379710 /nfs/dbraw/zinc/37/97/10/839379710.db2.gz NHKKMPWDBWIRLB-LJQANCHMSA-N 2 1 390.531 3.864 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001167396965 839523161 /nfs/dbraw/zinc/52/31/61/839523161.db2.gz DDNRNRDTSBOFAN-UTKZUKDTSA-N 2 1 387.955 3.622 20 0 GHADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431894377 839531450 /nfs/dbraw/zinc/53/14/50/839531450.db2.gz PNKYQISWTOZYLO-HSZRJFAPSA-N 2 1 383.580 3.607 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C)C[C@H](C)[NH3+])cc1)C[C@H]1CCCCO1 ZINC000584529693 839551525 /nfs/dbraw/zinc/55/15/25/839551525.db2.gz UNIXCZNHPHYPTI-WAOWUJCRSA-N 2 1 390.572 3.713 20 0 GHADMP CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000415407612 839733694 /nfs/dbraw/zinc/73/36/94/839733694.db2.gz QANZEYWQMPAJOE-LEWJYISDSA-N 2 1 390.572 3.571 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000077281037 839901974 /nfs/dbraw/zinc/90/19/74/839901974.db2.gz WQNDUBIWCVUPEG-UHFFFAOYSA-N 2 1 376.932 3.985 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000580625584 839916830 /nfs/dbraw/zinc/91/68/30/839916830.db2.gz PQOMISDTGSCWLN-LJQANCHMSA-N 2 1 392.613 3.527 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431849161 839920751 /nfs/dbraw/zinc/92/07/51/839920751.db2.gz CAAQRXFHYQZWLO-OIBXWCBGSA-N 2 1 379.548 3.849 20 0 GHADMP CC[NH2+]CC1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000416976477 840321713 /nfs/dbraw/zinc/32/17/13/840321713.db2.gz OGSYPGXEWVETEE-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH2+]CC1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000416976475 840322210 /nfs/dbraw/zinc/32/22/10/840322210.db2.gz OGSYPGXEWVETEE-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000416970192 840325667 /nfs/dbraw/zinc/32/56/67/840325667.db2.gz MZESMIWAFNEOBA-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093006846 840345377 /nfs/dbraw/zinc/34/53/77/840345377.db2.gz WYWRBNABRFVWQY-UHFFFAOYSA-N 2 1 375.520 3.816 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC(c4ccccc4F)C3)c2)C1 ZINC000127514293 840423291 /nfs/dbraw/zinc/42/32/91/840423291.db2.gz SWGFZCXSTNZZFK-MWXLCCTBSA-N 2 1 395.522 3.559 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000093742345 840488735 /nfs/dbraw/zinc/48/87/35/840488735.db2.gz USHCUGCOJOJBAJ-HNNXBMFYSA-N 2 1 379.342 3.889 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000473026333 840747645 /nfs/dbraw/zinc/74/76/45/840747645.db2.gz KCIAMSPOZWTNBU-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473026333 840747655 /nfs/dbraw/zinc/74/76/55/840747655.db2.gz KCIAMSPOZWTNBU-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473026333 840747669 /nfs/dbraw/zinc/74/76/69/840747669.db2.gz KCIAMSPOZWTNBU-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000510374361 840972977 /nfs/dbraw/zinc/97/29/77/840972977.db2.gz COJWDSXLJVCLPO-SFHVURJKSA-N 2 1 385.474 3.690 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000511633687 840979973 /nfs/dbraw/zinc/97/99/73/840979973.db2.gz HGFLKUNIFDFVDZ-CQSZACIVSA-N 2 1 386.367 3.975 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000511633687 840979985 /nfs/dbraw/zinc/97/99/85/840979985.db2.gz HGFLKUNIFDFVDZ-CQSZACIVSA-N 2 1 386.367 3.975 20 0 GHADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000581279871 841001729 /nfs/dbraw/zinc/00/17/29/841001729.db2.gz LLWZKMQOEKNYDK-DEOSSOPVSA-N 2 1 381.564 3.596 20 0 GHADMP [NH3+]CCCOC1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000430560608 841094537 /nfs/dbraw/zinc/09/45/37/841094537.db2.gz WRGSYTZZRINKBH-UHFFFAOYSA-N 2 1 379.957 3.717 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000548159768 841102245 /nfs/dbraw/zinc/10/22/45/841102245.db2.gz WHBQMWDCVHHAAX-QUCCMNQESA-N 2 1 378.520 3.632 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000548159768 841102251 /nfs/dbraw/zinc/10/22/51/841102251.db2.gz WHBQMWDCVHHAAX-QUCCMNQESA-N 2 1 378.520 3.632 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660732450 841147502 /nfs/dbraw/zinc/14/75/02/841147502.db2.gz ROVADGOYNNUUHI-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660732450 841147511 /nfs/dbraw/zinc/14/75/11/841147511.db2.gz ROVADGOYNNUUHI-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000660732450 841147517 /nfs/dbraw/zinc/14/75/17/841147517.db2.gz ROVADGOYNNUUHI-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000660732450 841147531 /nfs/dbraw/zinc/14/75/31/841147531.db2.gz ROVADGOYNNUUHI-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000581377093 841196785 /nfs/dbraw/zinc/19/67/85/841196785.db2.gz ADILZSJTFGXGSL-QRVBRYPASA-N 2 1 397.485 3.745 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000581377093 841196790 /nfs/dbraw/zinc/19/67/90/841196790.db2.gz ADILZSJTFGXGSL-QRVBRYPASA-N 2 1 397.485 3.745 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N(CCC[NH3+])Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417827647 841208615 /nfs/dbraw/zinc/20/86/15/841208615.db2.gz DNQAUBAHMKOWLE-NZQKXSOJSA-N 2 1 394.563 3.600 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000417847759 841224414 /nfs/dbraw/zinc/22/44/14/841224414.db2.gz APBXETOMODVKSH-HOTGVXAUSA-N 2 1 377.492 3.761 20 0 GHADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581408466 841283197 /nfs/dbraw/zinc/28/31/97/841283197.db2.gz SUMXYILHZFXFMT-VQTJNVASSA-N 2 1 385.577 3.712 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000432918622 844627548 /nfs/dbraw/zinc/62/75/48/844627548.db2.gz ODGJGJKRTHSLSC-UHFFFAOYSA-N 2 1 375.504 3.616 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1Br ZINC000570954589 841373248 /nfs/dbraw/zinc/37/32/48/841373248.db2.gz IQGDPWVZBJIZOH-GOSISDBHSA-N 2 1 390.325 3.929 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000276213535 841379681 /nfs/dbraw/zinc/37/96/81/841379681.db2.gz KWGWWUFCWBOQJH-XLIONFOSSA-N 2 1 393.597 3.687 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)c1 ZINC000651699459 841393795 /nfs/dbraw/zinc/39/37/95/841393795.db2.gz VPWOVQSZTOOALV-GOSISDBHSA-N 2 1 389.902 3.548 20 0 GHADMP O=c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc(C2CC2)[nH]1 ZINC000656557025 841397981 /nfs/dbraw/zinc/39/79/81/841397981.db2.gz RLCPODRJKBWPER-UHFFFAOYSA-N 2 1 378.520 3.548 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccccc3Cl)CC2)CC1 ZINC000581438536 841407868 /nfs/dbraw/zinc/40/78/68/841407868.db2.gz SBBMJRNTKVSACG-MRXNPFEDSA-N 2 1 377.960 3.714 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)[C@@H]3c3ccco3)CC2)CC1 ZINC000581439234 841409337 /nfs/dbraw/zinc/40/93/37/841409337.db2.gz OFQJZODRMIHMSP-NRFANRHFSA-N 2 1 385.552 3.530 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000650417253 841440380 /nfs/dbraw/zinc/44/03/80/841440380.db2.gz VXVPEQYKEGKISE-HKUYNNGSSA-N 2 1 390.597 3.821 20 0 GHADMP C[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@H]([NH3+])c1ccccc1 ZINC000662715300 841456516 /nfs/dbraw/zinc/45/65/16/841456516.db2.gz MVNAOQPZDUGJSB-VJBMBRPKSA-N 2 1 391.559 3.741 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(-c2ccccc2)cn1 ZINC000651755338 841512866 /nfs/dbraw/zinc/51/28/66/841512866.db2.gz IYDWPASNILOASE-SFHVURJKSA-N 2 1 376.504 3.935 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Cc1cccc(Cl)c1 ZINC000581484184 841528007 /nfs/dbraw/zinc/52/80/07/841528007.db2.gz WWZVJFPXCILTHB-MJGOQNOKSA-N 2 1 378.969 3.807 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1cccc(Cl)c1 ZINC000581484184 841528012 /nfs/dbraw/zinc/52/80/12/841528012.db2.gz WWZVJFPXCILTHB-MJGOQNOKSA-N 2 1 378.969 3.807 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000177695032 861210659 /nfs/dbraw/zinc/21/06/59/861210659.db2.gz QAAVBFOBIJYMQG-SFHVURJKSA-N 2 1 384.499 3.591 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000177695032 861210670 /nfs/dbraw/zinc/21/06/70/861210670.db2.gz QAAVBFOBIJYMQG-SFHVURJKSA-N 2 1 384.499 3.591 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(CC[NH2+]C)CC1)c1ccc(Cl)cc1 ZINC000418188323 841623934 /nfs/dbraw/zinc/62/39/34/841623934.db2.gz UCLZUZSURPCCHE-HXUWFJFHSA-N 2 1 394.991 3.754 20 0 GHADMP CSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000500243740 841716322 /nfs/dbraw/zinc/71/63/22/841716322.db2.gz FYVOLPIZAQLLTB-WAOWUJCRSA-N 2 1 397.588 3.838 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000157276181 841743264 /nfs/dbraw/zinc/74/32/64/841743264.db2.gz DXDVITJSBIXVMO-XMSQKQJNSA-N 2 1 387.568 3.650 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398003688 841786086 /nfs/dbraw/zinc/78/60/86/841786086.db2.gz GCKCHTYBZILLTB-NLWGTHIKSA-N 2 1 375.557 3.647 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398003688 841786094 /nfs/dbraw/zinc/78/60/94/841786094.db2.gz GCKCHTYBZILLTB-NLWGTHIKSA-N 2 1 375.557 3.647 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cnc12 ZINC000656782427 841912641 /nfs/dbraw/zinc/91/26/41/841912641.db2.gz GUEQGMSVYJZILI-INIZCTEOSA-N 2 1 391.357 3.617 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OCC(F)(F)F ZINC000656783091 841913755 /nfs/dbraw/zinc/91/37/55/841913755.db2.gz NYNYEIIBXGLQMJ-QGZVFWFLSA-N 2 1 386.458 3.848 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785923 841923661 /nfs/dbraw/zinc/92/36/61/841923661.db2.gz NGZJXBAURCKVKT-OAHLLOKOSA-N 2 1 397.357 3.678 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430638084 841993007 /nfs/dbraw/zinc/99/30/07/841993007.db2.gz MKKPVMHCBMASLL-HUVFLSCGSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430638084 841993014 /nfs/dbraw/zinc/99/30/14/841993014.db2.gz MKKPVMHCBMASLL-HUVFLSCGSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430638084 841993017 /nfs/dbraw/zinc/99/30/17/841993017.db2.gz MKKPVMHCBMASLL-HUVFLSCGSA-N 2 1 391.559 3.820 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001167823551 842007779 /nfs/dbraw/zinc/00/77/79/842007779.db2.gz DJPUOJXAASVXRH-MLDBQTBOSA-N 2 1 389.584 3.731 20 0 GHADMP CC[C@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555561279 861263000 /nfs/dbraw/zinc/26/30/00/861263000.db2.gz MNVVAYNEYUMFJT-JOCHJYFZSA-N 2 1 383.536 3.613 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001167825132 842038387 /nfs/dbraw/zinc/03/83/87/842038387.db2.gz RFGWOZXYMFQTQJ-ACIOBRDBSA-N 2 1 389.584 3.732 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663516371 842068619 /nfs/dbraw/zinc/06/86/19/842068619.db2.gz SDIRELRYCQNYNW-QHCPKHFHSA-N 2 1 398.595 3.594 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NCc1ncc(C[NH+](C)C)s1 ZINC000512024003 842170376 /nfs/dbraw/zinc/17/03/76/842170376.db2.gz LPXJDUPTSVALKQ-UHFFFAOYSA-N 2 1 376.595 3.674 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001167833455 842197996 /nfs/dbraw/zinc/19/79/96/842197996.db2.gz BMKXVNFKRNPIDS-FYYLOGMGSA-N 2 1 375.601 3.720 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177923546 861284169 /nfs/dbraw/zinc/28/41/69/861284169.db2.gz NIKZLXRNBGWJNF-GOSISDBHSA-N 2 1 391.519 3.566 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]([NH2+]C(C)C)C3)c2c1C ZINC000585741329 842242074 /nfs/dbraw/zinc/24/20/74/842242074.db2.gz HUBDNYKEUSIPKU-QGZVFWFLSA-N 2 1 387.597 3.871 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000652347750 842318889 /nfs/dbraw/zinc/31/88/89/842318889.db2.gz KRWPKNNCDVGILX-MQSCRBSSSA-N 2 1 393.531 3.657 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)C1 ZINC000652349269 842329086 /nfs/dbraw/zinc/32/90/86/842329086.db2.gz IXOVPVKFALYWCW-HBUWYVDXSA-N 2 1 393.503 3.807 20 0 GHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC000652351392 842346330 /nfs/dbraw/zinc/34/63/30/842346330.db2.gz VORHSZWIPZHWHC-MBSDFSHPSA-N 2 1 379.504 3.868 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(CC[NH3+])CC1 ZINC000652359390 842368598 /nfs/dbraw/zinc/36/85/98/842368598.db2.gz QSAMVULLXYNFPD-LLVKDONJSA-N 2 1 377.838 3.747 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCCO1 ZINC000432410710 842404450 /nfs/dbraw/zinc/40/44/50/842404450.db2.gz QYNSVDZIHAPXNH-UGSOOPFHSA-N 2 1 385.321 3.666 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCCO1 ZINC000432410710 842404459 /nfs/dbraw/zinc/40/44/59/842404459.db2.gz QYNSVDZIHAPXNH-UGSOOPFHSA-N 2 1 385.321 3.666 20 0 GHADMP C[C@H]1CCC[C@](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)([NH+](C)C)C1 ZINC000432410012 842406286 /nfs/dbraw/zinc/40/62/86/842406286.db2.gz LAUJLPNRZOCCEN-MKSNKDDYSA-N 2 1 391.522 3.522 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411684 842406497 /nfs/dbraw/zinc/40/64/97/842406497.db2.gz ABQDZLVPCOGFCG-DYVFJYSZSA-N 2 1 385.321 3.666 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(C(F)F)c1 ZINC000430677406 842441133 /nfs/dbraw/zinc/44/11/33/842441133.db2.gz JHZHYEXSEAXWNX-UHFFFAOYSA-N 2 1 393.522 3.893 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000510475358 842443339 /nfs/dbraw/zinc/44/33/39/842443339.db2.gz CIIYOWVXQWWLIW-ZVDOUQERSA-N 2 1 380.621 3.695 20 0 GHADMP C[C@@H]1CCC[C@@H](CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000430683552 842532125 /nfs/dbraw/zinc/53/21/25/842532125.db2.gz ZXWYJFNJHNVRBZ-TZIWHRDSSA-N 2 1 377.617 3.858 20 0 GHADMP COc1cccc(OC)c1CNCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000512127543 842584079 /nfs/dbraw/zinc/58/40/79/842584079.db2.gz CVJXZXBGDNRUQV-HDICACEKSA-N 2 1 384.520 3.603 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000157925590 842738042 /nfs/dbraw/zinc/73/80/42/842738042.db2.gz NNKFFENNFFTSDE-FQEVSTJZSA-N 2 1 375.576 3.934 20 0 GHADMP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000157925590 842738047 /nfs/dbraw/zinc/73/80/47/842738047.db2.gz NNKFFENNFFTSDE-FQEVSTJZSA-N 3 1 375.576 3.934 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000157925590 842738052 /nfs/dbraw/zinc/73/80/52/842738052.db2.gz NNKFFENNFFTSDE-FQEVSTJZSA-N 3 1 375.576 3.934 20 0 GHADMP O=C(C[N@H+]1CCC[C@]2(CC=CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000512175257 842756594 /nfs/dbraw/zinc/75/65/94/842756594.db2.gz NPXVHKNGLBGTTO-XMMPIXPASA-N 2 1 381.564 3.721 20 0 GHADMP CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000891726334 842759281 /nfs/dbraw/zinc/75/92/81/842759281.db2.gz KOWIQVNJGCIGLP-LPHOPBHVSA-N 2 1 398.954 3.632 20 0 GHADMP CN(C)c1ncc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000663218177 842824339 /nfs/dbraw/zinc/82/43/39/842824339.db2.gz QGFRRGYOMPXUSU-QFIPXVFZSA-N 2 1 395.595 3.609 20 0 GHADMP CC(C)C[C@@H](N)c1noc([C@@H](N)Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000663251913 842902039 /nfs/dbraw/zinc/90/20/39/842902039.db2.gz YAFDDXSITOXXLI-UXHICEINSA-N 2 1 380.492 3.937 20 0 GHADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000510540551 842930392 /nfs/dbraw/zinc/93/03/92/842930392.db2.gz PJNVQTDGQIXKHY-JAXLGGSGSA-N 2 1 392.632 3.695 20 0 GHADMP Cn1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000471862616 842977465 /nfs/dbraw/zinc/97/74/65/842977465.db2.gz CNGPNVFXZCAVOC-WMZOPIPTSA-N 2 1 380.458 3.611 20 0 GHADMP Cn1ncc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000471862616 842977473 /nfs/dbraw/zinc/97/74/73/842977473.db2.gz CNGPNVFXZCAVOC-WMZOPIPTSA-N 2 1 380.458 3.611 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000512203519 843086040 /nfs/dbraw/zinc/08/60/40/843086040.db2.gz PBAVJBNBHLOJAR-NRFANRHFSA-N 2 1 385.577 3.854 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000512203519 843086051 /nfs/dbraw/zinc/08/60/51/843086051.db2.gz PBAVJBNBHLOJAR-NRFANRHFSA-N 2 1 385.577 3.854 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662298298 843090864 /nfs/dbraw/zinc/09/08/64/843090864.db2.gz VFJRYHVIGFXRIS-SJLPKXTDSA-N 2 1 377.960 3.995 20 0 GHADMP CC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000165202245 843104601 /nfs/dbraw/zinc/10/46/01/843104601.db2.gz PSNQOMZQRRVXMP-FYYLOGMGSA-N 2 1 395.591 3.764 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC/C=C\c2ccc(Br)cc2)CCO1 ZINC000662319322 843137825 /nfs/dbraw/zinc/13/78/25/843137825.db2.gz HHBJRCAYWREGDS-WSGSOLELSA-N 2 1 381.358 3.895 20 0 GHADMP COc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1Cl ZINC000662326763 843156274 /nfs/dbraw/zinc/15/62/74/843156274.db2.gz BPHPZSIWZZCPDS-UHFFFAOYSA-N 2 1 388.943 3.918 20 0 GHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1ccccc1F ZINC000512236086 843174767 /nfs/dbraw/zinc/17/47/67/843174767.db2.gz FGJFOZPERJOGHQ-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1ccccc1F ZINC000512236086 843174774 /nfs/dbraw/zinc/17/47/74/843174774.db2.gz FGJFOZPERJOGHQ-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1ccccc1F ZINC000512236086 843174784 /nfs/dbraw/zinc/17/47/84/843174784.db2.gz FGJFOZPERJOGHQ-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000510684986 843193093 /nfs/dbraw/zinc/19/30/93/843193093.db2.gz RBQDSLZCVOUDQM-LYHRCORUSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000510684986 843193101 /nfs/dbraw/zinc/19/31/01/843193101.db2.gz RBQDSLZCVOUDQM-LYHRCORUSA-N 2 1 388.502 3.759 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000178703873 861399817 /nfs/dbraw/zinc/39/98/17/861399817.db2.gz HKFULORFOKOJIE-CVEARBPZSA-N 2 1 376.932 3.508 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Cc1ccc(F)cc1 ZINC000663368641 843330783 /nfs/dbraw/zinc/33/07/83/843330783.db2.gz LWFQWBHRKNQSJP-GGAORHGYSA-N 2 1 382.523 3.621 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc2c(c1)CCC2 ZINC000432651845 843361791 /nfs/dbraw/zinc/36/17/91/843361791.db2.gz AKLAOPCKDHLHCD-OAQYLSRUSA-N 2 1 395.572 3.820 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc2c(c1)CCC2 ZINC000432651845 843361803 /nfs/dbraw/zinc/36/18/03/843361803.db2.gz AKLAOPCKDHLHCD-OAQYLSRUSA-N 2 1 395.572 3.820 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662515605 843370798 /nfs/dbraw/zinc/37/07/98/843370798.db2.gz XFJMBLPKCHPUKF-RTWAWAEBSA-N 2 1 385.458 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662515605 843370804 /nfs/dbraw/zinc/37/08/04/843370804.db2.gz XFJMBLPKCHPUKF-RTWAWAEBSA-N 2 1 385.458 3.522 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1Cl ZINC000662525383 843381992 /nfs/dbraw/zinc/38/19/92/843381992.db2.gz RUWFNAIFQGAJLJ-GOSISDBHSA-N 2 1 384.351 3.731 20 0 GHADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000431044424 843500387 /nfs/dbraw/zinc/50/03/87/843500387.db2.gz WKRHQSKSBYLCPI-HSZRJFAPSA-N 2 1 395.547 3.776 20 0 GHADMP COc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000431044424 843500396 /nfs/dbraw/zinc/50/03/96/843500396.db2.gz WKRHQSKSBYLCPI-HSZRJFAPSA-N 2 1 395.547 3.776 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000512350856 843511369 /nfs/dbraw/zinc/51/13/69/843511369.db2.gz WTDPNOKAMVSNTO-OKPLFKEKSA-N 2 1 394.559 3.983 20 0 GHADMP CCC[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC[NH2+]CC1 ZINC000431071907 843541947 /nfs/dbraw/zinc/54/19/47/843541947.db2.gz QOMLKEKXHGDKEJ-UHFFFAOYSA-N 2 1 389.927 3.680 20 0 GHADMP CCC[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC[NH2+]CC1 ZINC000431071907 843541956 /nfs/dbraw/zinc/54/19/56/843541956.db2.gz QOMLKEKXHGDKEJ-UHFFFAOYSA-N 2 1 389.927 3.680 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)c2)cc1 ZINC000092253526 843728201 /nfs/dbraw/zinc/72/82/01/843728201.db2.gz JGHDJQJDRLLJHT-IBGZPJMESA-N 2 1 381.520 3.721 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)c2)cc1 ZINC000092253526 843728206 /nfs/dbraw/zinc/72/82/06/843728206.db2.gz JGHDJQJDRLLJHT-IBGZPJMESA-N 2 1 381.520 3.721 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)c2)cc1 ZINC000092253526 843728213 /nfs/dbraw/zinc/72/82/13/843728213.db2.gz JGHDJQJDRLLJHT-IBGZPJMESA-N 2 1 381.520 3.721 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000092253526 843728219 /nfs/dbraw/zinc/72/82/19/843728219.db2.gz JGHDJQJDRLLJHT-IBGZPJMESA-N 2 1 381.520 3.721 20 0 GHADMP C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433194558 843808267 /nfs/dbraw/zinc/80/82/67/843808267.db2.gz XOBRYRSVIDVYDT-IBGZPJMESA-N 2 1 397.588 3.741 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000512832462 843828553 /nfs/dbraw/zinc/82/85/53/843828553.db2.gz HZDZODGPZGIVJB-DZGCQCFKSA-N 2 1 384.364 3.990 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCCC3)C2)CC1 ZINC000432790722 843840287 /nfs/dbraw/zinc/84/02/87/843840287.db2.gz XRXIYUMXXUFRDP-UHFFFAOYSA-N 2 1 383.580 3.732 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000237124623 843910694 /nfs/dbraw/zinc/91/06/94/843910694.db2.gz LCULIJVLSGXIHM-UHFFFAOYSA-N 2 1 390.549 3.536 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H](C)C1 ZINC000152049692 843954620 /nfs/dbraw/zinc/95/46/20/843954620.db2.gz KIYYZUYOEXODIK-DENIHFKCSA-N 2 1 392.559 3.601 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCC2 ZINC000535837926 844776978 /nfs/dbraw/zinc/77/69/78/844776978.db2.gz CTZUPMKIWSUBIR-HSZRJFAPSA-N 2 1 377.532 3.550 20 0 GHADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000512624307 844819008 /nfs/dbraw/zinc/81/90/08/844819008.db2.gz ICEKSZASGGVYNB-MYDTUXCISA-N 2 1 378.564 3.959 20 0 GHADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512662755 844917916 /nfs/dbraw/zinc/91/79/16/844917916.db2.gz ADMZIPATLDIJBO-JRFVFWCSSA-N 2 1 390.575 3.719 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182471667 844990895 /nfs/dbraw/zinc/99/08/95/844990895.db2.gz IAHUQLUDOKFWDC-ILWGZMRPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182471667 844990902 /nfs/dbraw/zinc/99/09/02/844990902.db2.gz IAHUQLUDOKFWDC-ILWGZMRPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182471667 844990911 /nfs/dbraw/zinc/99/09/11/844990911.db2.gz IAHUQLUDOKFWDC-ILWGZMRPSA-N 2 1 398.595 3.603 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000513264320 845144046 /nfs/dbraw/zinc/14/40/46/845144046.db2.gz WDRDZWAGMNKJKW-XMMPIXPASA-N 2 1 391.559 3.679 20 0 GHADMP Fc1ccccc1N1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000513392673 845346960 /nfs/dbraw/zinc/34/69/60/845346960.db2.gz VSUSVFQVCMQIGE-UHFFFAOYSA-N 2 1 396.554 3.550 20 0 GHADMP Fc1ccccc1N1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000513392673 845346963 /nfs/dbraw/zinc/34/69/63/845346963.db2.gz VSUSVFQVCMQIGE-UHFFFAOYSA-N 2 1 396.554 3.550 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000179390775 861560974 /nfs/dbraw/zinc/56/09/74/861560974.db2.gz NAKPYOAMPYMMBJ-GMAHTHKFSA-N 2 1 398.595 3.801 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000179397666 861563847 /nfs/dbraw/zinc/56/38/47/861563847.db2.gz PHNPFPVZBSOJIF-QHCPKHFHSA-N 2 1 392.547 3.640 20 0 GHADMP CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000411470539 845487067 /nfs/dbraw/zinc/48/70/67/845487067.db2.gz CIWRTKMLUSDULL-QFIPXVFZSA-N 2 1 386.561 3.548 20 0 GHADMP c1nnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1-c1ccccc1 ZINC000433181128 845618866 /nfs/dbraw/zinc/61/88/66/845618866.db2.gz ZNYIWTLSARBYSX-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP c1nnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1-c1ccccc1 ZINC000433181128 845618869 /nfs/dbraw/zinc/61/88/69/845618869.db2.gz ZNYIWTLSARBYSX-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[NH+](C)[C@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315913 845697007 /nfs/dbraw/zinc/69/70/07/845697007.db2.gz UWRLWLAXTXTIBZ-ZEQRLZLVSA-N 3 1 386.628 3.519 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)[C@@H](C)C1 ZINC000892105663 845815557 /nfs/dbraw/zinc/81/55/57/845815557.db2.gz NFBJZVQRCDMBLP-UGSOOPFHSA-N 2 1 382.346 3.570 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)[C@@H](C)C1 ZINC000892105663 845815558 /nfs/dbraw/zinc/81/55/58/845815558.db2.gz NFBJZVQRCDMBLP-UGSOOPFHSA-N 2 1 382.346 3.570 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)[C@@H](C)C1 ZINC000892105663 845815568 /nfs/dbraw/zinc/81/55/68/845815568.db2.gz NFBJZVQRCDMBLP-UGSOOPFHSA-N 2 1 382.346 3.570 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)[C@@H](C)C1 ZINC000892105663 845815575 /nfs/dbraw/zinc/81/55/75/845815575.db2.gz NFBJZVQRCDMBLP-UGSOOPFHSA-N 2 1 382.346 3.570 20 0 GHADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000481529632 861610933 /nfs/dbraw/zinc/61/09/33/861610933.db2.gz QJXBUBZQRHYAKH-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@@H]1O ZINC000481529632 861610938 /nfs/dbraw/zinc/61/09/38/861610938.db2.gz QJXBUBZQRHYAKH-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@@H]1O ZINC000481529632 861610943 /nfs/dbraw/zinc/61/09/43/861610943.db2.gz QJXBUBZQRHYAKH-KIHHCIJBSA-N 2 1 388.596 3.652 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccc(C)cc4[nH]3)cc2)CC1 ZINC000657313222 846046496 /nfs/dbraw/zinc/04/64/96/846046496.db2.gz QPRJEIXFRWBDCJ-UHFFFAOYSA-N 2 1 376.548 3.904 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)CC1 ZINC000657312475 846053402 /nfs/dbraw/zinc/05/34/02/846053402.db2.gz KFXKERDTYGNURK-UHFFFAOYSA-N 2 1 380.561 3.724 20 0 GHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000280085946 846285372 /nfs/dbraw/zinc/28/53/72/846285372.db2.gz YTUQBCHOOXVRFU-JKSUJKDBSA-N 2 1 380.492 3.875 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000555716759 861673550 /nfs/dbraw/zinc/67/35/50/861673550.db2.gz YLZMIXCFFUSGEC-VQTJNVASSA-N 2 1 387.593 3.684 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000502843724 846535972 /nfs/dbraw/zinc/53/59/72/846535972.db2.gz JVCLXPZXQRJORT-PXNSSMCTSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000502843724 846535979 /nfs/dbraw/zinc/53/59/79/846535979.db2.gz JVCLXPZXQRJORT-PXNSSMCTSA-N 2 1 394.991 3.897 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000501030233 846548284 /nfs/dbraw/zinc/54/82/84/846548284.db2.gz BXIGWIQLRMRHLP-LJQANCHMSA-N 2 1 379.976 3.599 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000502856866 846552906 /nfs/dbraw/zinc/55/29/06/846552906.db2.gz BNNRQBAELLIAGR-DENIHFKCSA-N 2 1 388.600 3.663 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000502856869 846553301 /nfs/dbraw/zinc/55/33/01/846553301.db2.gz BNNRQBAELLIAGR-KNQAVFIVSA-N 2 1 388.600 3.663 20 0 GHADMP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501022163 846557579 /nfs/dbraw/zinc/55/75/79/846557579.db2.gz ICXIQTSWKMUJGQ-QFIPXVFZSA-N 2 1 397.563 3.793 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000502874498 846560043 /nfs/dbraw/zinc/56/00/43/846560043.db2.gz DURACAVSIVHQDI-VQTJNVASSA-N 2 1 390.572 3.760 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064371 846596030 /nfs/dbraw/zinc/59/60/30/846596030.db2.gz WAMKIWHHOFEDIU-ZWKOTPCHSA-N 2 1 398.526 3.635 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090884 846612721 /nfs/dbraw/zinc/61/27/21/846612721.db2.gz TYYRPOCAIIVQAI-GHDARCQNSA-N 2 1 386.584 3.559 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000502960636 846664976 /nfs/dbraw/zinc/66/49/76/846664976.db2.gz OKDFUUCITAYQOH-NRSPTQNISA-N 2 1 386.584 3.822 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501150358 846698789 /nfs/dbraw/zinc/69/87/89/846698789.db2.gz LNXGLYKDSTWESV-IEBWSBKVSA-N 2 1 380.602 3.695 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)CCCC1)c1ccccc1 ZINC000503151520 846844736 /nfs/dbraw/zinc/84/47/36/846844736.db2.gz LFPQIQQQLKCZAN-AZUAARDMSA-N 2 1 398.551 3.845 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000604083539 861739167 /nfs/dbraw/zinc/73/91/67/861739167.db2.gz OUJCXFCZONGAKQ-XZOQPEGZSA-N 2 1 394.563 3.562 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544206129 847078354 /nfs/dbraw/zinc/07/83/54/847078354.db2.gz MKQFGNCTBBHBRC-QUCCMNQESA-N 2 1 386.584 3.874 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544206129 847078358 /nfs/dbraw/zinc/07/83/58/847078358.db2.gz MKQFGNCTBBHBRC-QUCCMNQESA-N 2 1 386.584 3.874 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272608864 847124298 /nfs/dbraw/zinc/12/42/98/847124298.db2.gz VTWQIXQQIGZXIL-PXNSSMCTSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272608864 847124304 /nfs/dbraw/zinc/12/43/04/847124304.db2.gz VTWQIXQQIGZXIL-PXNSSMCTSA-N 2 1 383.502 3.903 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420395133 847158245 /nfs/dbraw/zinc/15/82/45/847158245.db2.gz LACCGNJMTDKKGE-WWNPGLIZSA-N 2 1 399.579 3.603 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420395133 847158253 /nfs/dbraw/zinc/15/82/53/847158253.db2.gz LACCGNJMTDKKGE-WWNPGLIZSA-N 2 1 399.579 3.603 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000501804463 847203493 /nfs/dbraw/zinc/20/34/93/847203493.db2.gz KVYBBOWHBJTFTI-QGZVFWFLSA-N 2 1 395.975 3.737 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000272923464 847208848 /nfs/dbraw/zinc/20/88/48/847208848.db2.gz KNDZXVGFNHHSJI-QGZVFWFLSA-N 2 1 381.524 3.827 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272923464 847208860 /nfs/dbraw/zinc/20/88/60/847208860.db2.gz KNDZXVGFNHHSJI-QGZVFWFLSA-N 2 1 381.524 3.827 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000272923462 847209294 /nfs/dbraw/zinc/20/92/94/847209294.db2.gz KNDZXVGFNHHSJI-KRWDZBQOSA-N 2 1 381.524 3.827 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000272923462 847209304 /nfs/dbraw/zinc/20/93/04/847209304.db2.gz KNDZXVGFNHHSJI-KRWDZBQOSA-N 2 1 381.524 3.827 20 0 GHADMP CCOc1cc(Cl)ccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582495211 847418971 /nfs/dbraw/zinc/41/89/71/847418971.db2.gz AOBGCSACEXLBJJ-UHFFFAOYSA-N 2 1 393.959 3.874 20 0 GHADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000159122649 847489351 /nfs/dbraw/zinc/48/93/51/847489351.db2.gz RRARDWGTCXYVHP-LJQANCHMSA-N 2 1 381.520 3.507 20 0 GHADMP CCc1cc(OC)ccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000502240215 847629022 /nfs/dbraw/zinc/62/90/22/847629022.db2.gz HANQEWNMIBZYBS-UHFFFAOYSA-N 3 1 387.612 3.886 20 0 GHADMP CCc1cc(OC)ccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000502240215 847629028 /nfs/dbraw/zinc/62/90/28/847629028.db2.gz HANQEWNMIBZYBS-UHFFFAOYSA-N 3 1 387.612 3.886 20 0 GHADMP CCc1cc(OC)ccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000502240215 847629030 /nfs/dbraw/zinc/62/90/30/847629030.db2.gz HANQEWNMIBZYBS-UHFFFAOYSA-N 3 1 387.612 3.886 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000422625451 847736783 /nfs/dbraw/zinc/73/67/83/847736783.db2.gz BRMLMNPWPQSPOO-IJEWVQPXSA-N 2 1 389.341 3.711 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000503532916 847782718 /nfs/dbraw/zinc/78/27/18/847782718.db2.gz DDSHMAFSCQRFHM-OAQYLSRUSA-N 2 1 375.557 3.746 20 0 GHADMP C[N@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764231 847824259 /nfs/dbraw/zinc/82/42/59/847824259.db2.gz PPQWPIOXVBWYRS-QBAGFEOCSA-N 2 1 381.486 3.961 20 0 GHADMP CN1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764231 847824264 /nfs/dbraw/zinc/82/42/64/847824264.db2.gz PPQWPIOXVBWYRS-QBAGFEOCSA-N 2 1 381.486 3.961 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422831975 847845702 /nfs/dbraw/zinc/84/57/02/847845702.db2.gz XBXNERKDEFHNEN-QAPCUYQASA-N 2 1 389.927 3.534 20 0 GHADMP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422873985 847876236 /nfs/dbraw/zinc/87/62/36/847876236.db2.gz MWRSAKMQWBBTOJ-BPLDGKMQSA-N 2 1 395.277 3.842 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCOCC1 ZINC000422899355 847877942 /nfs/dbraw/zinc/87/79/42/847877942.db2.gz HESHCGKZCCQAAV-CQSZACIVSA-N 2 1 375.900 3.555 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000422944004 847908435 /nfs/dbraw/zinc/90/84/35/847908435.db2.gz LWPVVOIDCLWRLB-QBZTVIHSSA-N 3 1 385.596 3.696 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000422944004 847908442 /nfs/dbraw/zinc/90/84/42/847908442.db2.gz LWPVVOIDCLWRLB-QBZTVIHSSA-N 2 1 385.596 3.696 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCCC1)c1ccccc1 ZINC000503734675 847927564 /nfs/dbraw/zinc/92/75/64/847927564.db2.gz KEQIOWAOLHKPCN-FPOVZHCZSA-N 2 1 398.595 3.966 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000503734246 847927671 /nfs/dbraw/zinc/92/76/71/847927671.db2.gz XOWLAFZVGIEPAW-HXUWFJFHSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502475659 847931838 /nfs/dbraw/zinc/93/18/38/847931838.db2.gz KXWQNRCNHBIQEU-JPYJTQIMSA-N 2 1 382.552 3.806 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548748258 847938763 /nfs/dbraw/zinc/93/87/63/847938763.db2.gz XXPPCWLLLGYSLY-QHCPKHFHSA-N 2 1 391.559 3.577 20 0 GHADMP CCC(CC)(CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000503797598 847949650 /nfs/dbraw/zinc/94/96/50/847949650.db2.gz WJTOUYGUVCCFMX-GHTZIAJQSA-N 2 1 386.584 3.774 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423058566 847956908 /nfs/dbraw/zinc/95/69/08/847956908.db2.gz COGOUQWZYUGVPA-ARNLJNQMSA-N 2 1 391.559 3.743 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423058566 847956912 /nfs/dbraw/zinc/95/69/12/847956912.db2.gz COGOUQWZYUGVPA-ARNLJNQMSA-N 2 1 391.559 3.743 20 0 GHADMP CC(C)CCOc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593803 848284917 /nfs/dbraw/zinc/28/49/17/848284917.db2.gz KZSKKQGELDWHDL-HSZRJFAPSA-N 2 1 382.548 3.968 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(-c4ccccc4)s3)cc2)C1 ZINC000657593915 848285289 /nfs/dbraw/zinc/28/52/89/848285289.db2.gz CMVQRONDMWFTFC-HXUWFJFHSA-N 2 1 379.529 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)ccc3F)cc2)C1 ZINC000657593699 848285774 /nfs/dbraw/zinc/28/57/74/848285774.db2.gz CAMFDBHYMAAPFS-GOSISDBHSA-N 2 1 382.401 3.701 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000582783723 848368492 /nfs/dbraw/zinc/36/84/92/848368492.db2.gz RTNAAUYUTWFFBF-RBBKRZOGSA-N 2 1 379.548 3.693 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000628168752 848537647 /nfs/dbraw/zinc/53/76/47/848537647.db2.gz GSKZQEMUSUVVPX-CTNGQTDRSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000628168752 848537650 /nfs/dbraw/zinc/53/76/50/848537650.db2.gz GSKZQEMUSUVVPX-CTNGQTDRSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000628168752 848537654 /nfs/dbraw/zinc/53/76/54/848537654.db2.gz GSKZQEMUSUVVPX-CTNGQTDRSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000628168752 848537657 /nfs/dbraw/zinc/53/76/57/848537657.db2.gz GSKZQEMUSUVVPX-CTNGQTDRSA-N 2 1 389.971 3.543 20 0 GHADMP CCN1CC[C@@]2(CCCN([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1=O ZINC001168045656 861945681 /nfs/dbraw/zinc/94/56/81/861945681.db2.gz LFJMYBQHUMEVEF-DAVFGYKESA-N 2 1 383.580 3.762 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cnn(Cc4ccccc4)c3)CC2)nc(C)[nH+]1 ZINC000162297757 848891323 /nfs/dbraw/zinc/89/13/23/848891323.db2.gz NROZPUYCYGVXLZ-GOSISDBHSA-N 2 1 390.535 3.658 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000472276001 848910255 /nfs/dbraw/zinc/91/02/55/848910255.db2.gz KOUXTEWTJWRLNY-MAUKXSAKSA-N 2 1 392.931 3.884 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000472276001 848910261 /nfs/dbraw/zinc/91/02/61/848910261.db2.gz KOUXTEWTJWRLNY-MAUKXSAKSA-N 2 1 392.931 3.884 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000583079788 849028495 /nfs/dbraw/zinc/02/84/95/849028495.db2.gz LRJGJYILEDGBPH-JOCHJYFZSA-N 2 1 382.479 3.744 20 0 GHADMP COc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136293 849151344 /nfs/dbraw/zinc/15/13/44/849151344.db2.gz PFFSHGMJWLOGAR-XLIONFOSSA-N 2 1 384.520 3.894 20 0 GHADMP Cc1cn2c(n1)[C@@H](CNCc1cn(-c3ccc(Cl)cc3Cl)nn1)CCC2 ZINC000535941991 849180201 /nfs/dbraw/zinc/18/02/01/849180201.db2.gz DTGWLTIHMOHNQI-CYBMUJFWSA-N 2 1 391.306 3.746 20 0 GHADMP CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000732007494 862004909 /nfs/dbraw/zinc/00/49/09/862004909.db2.gz YJTMYVZFQNGTKM-NRFANRHFSA-N 2 1 395.547 3.502 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(OC)c1 ZINC000162774293 849451628 /nfs/dbraw/zinc/45/16/28/849451628.db2.gz SJMMLKKQCMXJEG-MRXNPFEDSA-N 2 1 387.524 3.871 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000511236725 849617962 /nfs/dbraw/zinc/61/79/62/849617962.db2.gz XDSFXRDNQNISAQ-XQBPLPMBSA-N 2 1 386.584 3.702 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1c(C)noc1C ZINC000155799549 849643682 /nfs/dbraw/zinc/64/36/82/849643682.db2.gz SDZVBVVJSNZDHI-UTKZUKDTSA-N 2 1 398.551 3.501 20 0 GHADMP C[N@H+](Cc1ccccc1)C1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156927 849767309 /nfs/dbraw/zinc/76/73/09/849767309.db2.gz UOVPQEDQTLDDOJ-DHLKQENFSA-N 2 1 391.559 3.887 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156927 849767314 /nfs/dbraw/zinc/76/73/14/849767314.db2.gz UOVPQEDQTLDDOJ-DHLKQENFSA-N 2 1 391.559 3.887 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)s2)cc1OC ZINC000423267309 849844032 /nfs/dbraw/zinc/84/40/32/849844032.db2.gz FFGQGPSSRGCDKW-CZUORRHYSA-N 2 1 377.554 3.693 20 0 GHADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423345525 849863568 /nfs/dbraw/zinc/86/35/68/849863568.db2.gz XPKDSXHWTZABEP-YMPZKCBVSA-N 2 1 386.511 3.517 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000423340649 849873920 /nfs/dbraw/zinc/87/39/20/849873920.db2.gz SUSAEWFXFMUOOV-BULFRSBZSA-N 2 1 398.547 3.687 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H]([NH3+])c1ccccc1 ZINC000583439186 849906890 /nfs/dbraw/zinc/90/68/90/849906890.db2.gz BPZJJIAUYRYIDM-FZKQIMNGSA-N 2 1 390.325 3.785 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423830823 850078280 /nfs/dbraw/zinc/07/82/80/850078280.db2.gz QGUJPLUMFYIWMG-SLFFLAALSA-N 2 1 385.939 3.928 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423830823 850078295 /nfs/dbraw/zinc/07/82/95/850078295.db2.gz QGUJPLUMFYIWMG-SLFFLAALSA-N 2 1 385.939 3.928 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000506614635 850111076 /nfs/dbraw/zinc/11/10/76/850111076.db2.gz XFGVGFHAIKBPIB-QRVBRYPASA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000506614635 850111080 /nfs/dbraw/zinc/11/10/80/850111080.db2.gz XFGVGFHAIKBPIB-QRVBRYPASA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000506614635 850111084 /nfs/dbraw/zinc/11/10/84/850111084.db2.gz XFGVGFHAIKBPIB-QRVBRYPASA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Cl)C1 ZINC000506614635 850111088 /nfs/dbraw/zinc/11/10/88/850111088.db2.gz XFGVGFHAIKBPIB-QRVBRYPASA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000506614633 850111405 /nfs/dbraw/zinc/11/14/05/850111405.db2.gz XFGVGFHAIKBPIB-CEXWTWQISA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000506614633 850111411 /nfs/dbraw/zinc/11/14/11/850111411.db2.gz XFGVGFHAIKBPIB-CEXWTWQISA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000506614633 850111415 /nfs/dbraw/zinc/11/14/15/850111415.db2.gz XFGVGFHAIKBPIB-CEXWTWQISA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000506614633 850111422 /nfs/dbraw/zinc/11/14/22/850111422.db2.gz XFGVGFHAIKBPIB-CEXWTWQISA-N 2 1 380.960 3.666 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000423956160 850121213 /nfs/dbraw/zinc/12/12/13/850121213.db2.gz AJOFSGKANSIWHA-LOSJGSFVSA-N 2 1 399.538 3.804 20 0 GHADMP Clc1cc(I)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000424165012 850272242 /nfs/dbraw/zinc/27/22/42/850272242.db2.gz DAEZXQHSRGIAHP-GJZGRUSLSA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(I)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000424165012 850272254 /nfs/dbraw/zinc/27/22/54/850272254.db2.gz DAEZXQHSRGIAHP-GJZGRUSLSA-N 2 1 390.696 3.661 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424291337 850335401 /nfs/dbraw/zinc/33/54/01/850335401.db2.gz NNERNAWCCITLLS-OAHLLOKOSA-N 2 1 385.533 3.561 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424296590 850339911 /nfs/dbraw/zinc/33/99/11/850339911.db2.gz RZCVSNQOMBOOPL-OAHLLOKOSA-N 2 1 385.533 3.561 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424283788 850354661 /nfs/dbraw/zinc/35/46/61/850354661.db2.gz CBUPMCKPKVDJSD-GFCCVEGCSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccc(Br)cc3)c[nH]1)CC[NH2+]CC2 ZINC000424379751 850417852 /nfs/dbraw/zinc/41/78/52/850417852.db2.gz OYEIUFMSNSXKJE-AWEZNQCLSA-N 2 1 389.341 3.803 20 0 GHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435375090 850424024 /nfs/dbraw/zinc/42/40/24/850424024.db2.gz ZNALFTAGODZYTI-HXUWFJFHSA-N 2 1 378.520 3.653 20 0 GHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435375090 850424030 /nfs/dbraw/zinc/42/40/30/850424030.db2.gz ZNALFTAGODZYTI-HXUWFJFHSA-N 2 1 378.520 3.653 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000424421567 850431593 /nfs/dbraw/zinc/43/15/93/850431593.db2.gz YOQTYQKZWWWKJH-RBBKRZOGSA-N 2 1 378.520 3.534 20 0 GHADMP [NH3+]CC1CC[NH+](Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000435396863 850463379 /nfs/dbraw/zinc/46/33/79/850463379.db2.gz ZUXYWGZGMMXSHT-UHFFFAOYSA-N 2 1 390.325 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](F)C1 ZINC001167965328 850491548 /nfs/dbraw/zinc/49/15/48/850491548.db2.gz BERDOKSGGZMCFZ-DZJYIKFMSA-N 2 1 395.563 3.577 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCCOc1cccc(C)c1 ZINC000414792713 850497238 /nfs/dbraw/zinc/49/72/38/850497238.db2.gz SUZSVCGWYSEUSF-UHFFFAOYSA-N 2 1 384.520 3.693 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(CC[NH+](C)C)CC4)nc(N)c23)C1 ZINC000180444386 862143035 /nfs/dbraw/zinc/14/30/35/862143035.db2.gz IHEHJQMDTHLBHP-AWEZNQCLSA-N 2 1 387.597 3.562 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OCc3ccccc3F)c1)CCO2 ZINC000648071735 862152102 /nfs/dbraw/zinc/15/21/02/862152102.db2.gz RDNYORFMJCIAIB-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OCc3ccccc3F)c1)CCO2 ZINC000648071735 862152113 /nfs/dbraw/zinc/15/21/13/862152113.db2.gz RDNYORFMJCIAIB-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP C[C@H](NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435697806 850779108 /nfs/dbraw/zinc/77/91/08/850779108.db2.gz ZHFPTRRSNCCUEZ-FXAWDEMLSA-N 2 1 383.561 3.570 20 0 GHADMP C[C@H](NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435697806 850779113 /nfs/dbraw/zinc/77/91/13/850779113.db2.gz ZHFPTRRSNCCUEZ-FXAWDEMLSA-N 2 1 383.561 3.570 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccc(Cl)cc1 ZINC000515219774 850801597 /nfs/dbraw/zinc/80/15/97/850801597.db2.gz ITQMJNBKSFJAPR-PMACEKPBSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1ccc(Cl)cc1 ZINC000515219774 850801615 /nfs/dbraw/zinc/80/16/15/850801615.db2.gz ITQMJNBKSFJAPR-PMACEKPBSA-N 2 1 384.911 3.553 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000519353468 850962962 /nfs/dbraw/zinc/96/29/62/850962962.db2.gz NAQYNNSDZUPHOT-REWPJTCUSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000515522738 851153757 /nfs/dbraw/zinc/15/37/57/851153757.db2.gz HWGFJIMFUDELOD-QHAWAJNXSA-N 2 1 393.575 3.959 20 0 GHADMP CC(C)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc(F)c1 ZINC000514104739 851241285 /nfs/dbraw/zinc/24/12/85/851241285.db2.gz MKDDNHXKGQGFPV-UHFFFAOYSA-N 2 1 397.538 3.948 20 0 GHADMP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc(F)c1 ZINC000514104739 851241290 /nfs/dbraw/zinc/24/12/90/851241290.db2.gz MKDDNHXKGQGFPV-UHFFFAOYSA-N 2 1 397.538 3.948 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c[nH]nc3-c3ccsc3)CC2)oc1C ZINC000436245137 851362155 /nfs/dbraw/zinc/36/21/55/851362155.db2.gz LTPJXZPXVZWYCN-UHFFFAOYSA-N 2 1 385.537 3.745 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCc1ccc(F)cc1 ZINC000515759363 851441415 /nfs/dbraw/zinc/44/14/15/851441415.db2.gz SDBCLSHEVFDECH-RTBURBONSA-N 2 1 397.538 3.995 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCC[C@H]1C ZINC000514241754 851460716 /nfs/dbraw/zinc/46/07/16/851460716.db2.gz NDDZSTXUAGNSMG-GUDVDZBRSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1CCCC[C@H]1C ZINC000514241754 851460721 /nfs/dbraw/zinc/46/07/21/851460721.db2.gz NDDZSTXUAGNSMG-GUDVDZBRSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1CCCC[C@H]1C ZINC000514241754 851460727 /nfs/dbraw/zinc/46/07/27/851460727.db2.gz NDDZSTXUAGNSMG-GUDVDZBRSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000488532325 851589435 /nfs/dbraw/zinc/58/94/35/851589435.db2.gz NCIOGQUPCWLJFZ-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP Fc1cccc(F)c1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167973077 851635984 /nfs/dbraw/zinc/63/59/84/851635984.db2.gz FSXQTWRVAMSPFH-IHWFROFDSA-N 2 1 389.534 3.924 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000473743905 851816694 /nfs/dbraw/zinc/81/66/94/851816694.db2.gz XNMGDBJDTKOIAQ-UHFFFAOYSA-N 2 1 388.600 3.792 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)CC3 ZINC000180724206 862298682 /nfs/dbraw/zinc/29/86/82/862298682.db2.gz VHEUNMWASOGFIG-LJQANCHMSA-N 2 1 389.547 3.999 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000438050394 851981955 /nfs/dbraw/zinc/98/19/55/851981955.db2.gz MTQFDLUVXGRXGA-HXUWFJFHSA-N 2 1 399.539 3.530 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000438091066 852010972 /nfs/dbraw/zinc/01/09/72/852010972.db2.gz DKTQIUAVESRGLM-HXUWFJFHSA-N 2 1 396.531 3.826 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000438091066 852010979 /nfs/dbraw/zinc/01/09/79/852010979.db2.gz DKTQIUAVESRGLM-HXUWFJFHSA-N 2 1 396.531 3.826 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000438091066 852010986 /nfs/dbraw/zinc/01/09/86/852010986.db2.gz DKTQIUAVESRGLM-HXUWFJFHSA-N 2 1 396.531 3.826 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000438091066 852010995 /nfs/dbraw/zinc/01/09/95/852010995.db2.gz DKTQIUAVESRGLM-HXUWFJFHSA-N 2 1 396.531 3.826 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000102012518 852115517 /nfs/dbraw/zinc/11/55/17/852115517.db2.gz QSYNQOJIIZTDLH-GOSISDBHSA-N 2 1 392.613 3.524 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000180770518 862330371 /nfs/dbraw/zinc/33/03/71/862330371.db2.gz UQPRLCXBSXIEBE-MGPUTAFESA-N 2 1 378.451 3.776 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2Br)no1 ZINC001212142581 852283096 /nfs/dbraw/zinc/28/30/96/852283096.db2.gz NWYHYNDJYSJRBY-AWEZNQCLSA-N 2 1 385.281 3.806 20 0 GHADMP C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506899743 852301071 /nfs/dbraw/zinc/30/10/71/852301071.db2.gz TYJCDDZSSIXIEF-GOSISDBHSA-N 2 1 383.561 3.867 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506899743 852301078 /nfs/dbraw/zinc/30/10/78/852301078.db2.gz TYJCDDZSSIXIEF-GOSISDBHSA-N 2 1 383.561 3.867 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425657460 852533211 /nfs/dbraw/zinc/53/32/11/852533211.db2.gz BEBONTDDYWILNM-JTHBVZDNSA-N 2 1 392.547 3.529 20 0 GHADMP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366729028 852542618 /nfs/dbraw/zinc/54/26/18/852542618.db2.gz ULWWHRROVBXRBH-IGKWTDBASA-N 2 1 397.607 3.691 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000517893724 852584399 /nfs/dbraw/zinc/58/43/99/852584399.db2.gz LCIRMRXOOHJKKZ-OAQYLSRUSA-N 2 1 380.536 3.774 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000489852647 852608514 /nfs/dbraw/zinc/60/85/14/852608514.db2.gz RCVWVXPABRMJOD-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000505930705 852628691 /nfs/dbraw/zinc/62/86/91/852628691.db2.gz QVYIPDUTXODEHF-HXUWFJFHSA-N 2 1 394.563 3.698 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984789 852678864 /nfs/dbraw/zinc/67/88/64/852678864.db2.gz RNPKTSYZICPXHD-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984789 852678869 /nfs/dbraw/zinc/67/88/69/852678869.db2.gz RNPKTSYZICPXHD-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984789 852678875 /nfs/dbraw/zinc/67/88/75/852678875.db2.gz RNPKTSYZICPXHD-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984789 852678878 /nfs/dbraw/zinc/67/88/78/852678878.db2.gz RNPKTSYZICPXHD-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000507248491 852706220 /nfs/dbraw/zinc/70/62/20/852706220.db2.gz VVCAOPUNYHYASU-WWTUQBGBSA-N 2 1 384.351 3.728 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000490085207 852762150 /nfs/dbraw/zinc/76/21/50/852762150.db2.gz DNSYWJGICMJZKZ-HSZRJFAPSA-N 2 1 379.504 3.523 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000490085207 852762152 /nfs/dbraw/zinc/76/21/52/852762152.db2.gz DNSYWJGICMJZKZ-HSZRJFAPSA-N 2 1 379.504 3.523 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000516611793 852792393 /nfs/dbraw/zinc/79/23/93/852792393.db2.gz NTLXKWUMPRGJBG-FXAWDEMLSA-N 2 1 392.975 3.508 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000516624050 852806663 /nfs/dbraw/zinc/80/66/63/852806663.db2.gz DUFQOHHBIZRPPJ-UHFFFAOYSA-N 2 1 380.536 3.702 20 0 GHADMP CCOc1cc(C[NH2+]C2(C)CC[NH2+]CC2)cc(Br)c1OC(F)F ZINC000414949098 852821988 /nfs/dbraw/zinc/82/19/88/852821988.db2.gz ZPBGLLLYOVEJLL-UHFFFAOYSA-N 2 1 393.272 3.681 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507362443 852841585 /nfs/dbraw/zinc/84/15/85/852841585.db2.gz RABJRLLEHQXLFY-OAQYLSRUSA-N 2 1 376.585 3.837 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507362443 852841589 /nfs/dbraw/zinc/84/15/89/852841589.db2.gz RABJRLLEHQXLFY-OAQYLSRUSA-N 2 1 376.585 3.837 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414951082 852853662 /nfs/dbraw/zinc/85/36/62/852853662.db2.gz GTEULMPHRCDQMG-CJNGLKHVSA-N 2 1 385.346 3.724 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414953970 852866930 /nfs/dbraw/zinc/86/69/30/852866930.db2.gz SDJREBUEGNXWIU-DZGCQCFKSA-N 2 1 385.346 3.867 20 0 GHADMP CN(C[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985785 852922994 /nfs/dbraw/zinc/92/29/94/852922994.db2.gz ZXKLVAHRGAXTCO-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP CN(C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985785 852922999 /nfs/dbraw/zinc/92/29/99/852922999.db2.gz ZXKLVAHRGAXTCO-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP CN(C[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985785 852923005 /nfs/dbraw/zinc/92/30/05/852923005.db2.gz ZXKLVAHRGAXTCO-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP C[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)[C@@H]1c1ccccc1 ZINC000507535442 852996480 /nfs/dbraw/zinc/99/64/80/852996480.db2.gz VIOGIAGRIZEVRG-KJWQXZETSA-N 2 1 375.560 3.932 20 0 GHADMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H]1c1ccccc1 ZINC000507535442 852996488 /nfs/dbraw/zinc/99/64/88/852996488.db2.gz VIOGIAGRIZEVRG-KJWQXZETSA-N 2 1 375.560 3.932 20 0 GHADMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H]1c1ccccc1 ZINC000507535442 852996496 /nfs/dbraw/zinc/99/64/96/852996496.db2.gz VIOGIAGRIZEVRG-KJWQXZETSA-N 2 1 375.560 3.932 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H]1c1ccccc1 ZINC000507535442 852996502 /nfs/dbraw/zinc/99/65/02/852996502.db2.gz VIOGIAGRIZEVRG-KJWQXZETSA-N 2 1 375.560 3.932 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H]1c1ccccc1 ZINC000507535442 852996508 /nfs/dbraw/zinc/99/65/08/852996508.db2.gz VIOGIAGRIZEVRG-KJWQXZETSA-N 2 1 375.560 3.932 20 0 GHADMP CCCCC[N@H+](Cc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000506054694 853179152 /nfs/dbraw/zinc/17/91/52/853179152.db2.gz ABNUWPJWKWPBCB-UHFFFAOYSA-N 2 1 385.531 3.560 20 0 GHADMP CCCCC[N@@H+](Cc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000506054694 853179156 /nfs/dbraw/zinc/17/91/56/853179156.db2.gz ABNUWPJWKWPBCB-UHFFFAOYSA-N 2 1 385.531 3.560 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473754 853241233 /nfs/dbraw/zinc/24/12/33/853241233.db2.gz JHTLMHFONUYKJZ-GGPKGHCWSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473754 853241235 /nfs/dbraw/zinc/24/12/35/853241235.db2.gz JHTLMHFONUYKJZ-GGPKGHCWSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473754 853241241 /nfs/dbraw/zinc/24/12/41/853241241.db2.gz JHTLMHFONUYKJZ-GGPKGHCWSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473754 853241246 /nfs/dbraw/zinc/24/12/46/853241246.db2.gz JHTLMHFONUYKJZ-GGPKGHCWSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000518460945 853374498 /nfs/dbraw/zinc/37/44/98/853374498.db2.gz JLOCRPJWCCMAJU-NRFANRHFSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000518460945 853374514 /nfs/dbraw/zinc/37/45/14/853374514.db2.gz JLOCRPJWCCMAJU-NRFANRHFSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000518460945 853374523 /nfs/dbraw/zinc/37/45/23/853374523.db2.gz JLOCRPJWCCMAJU-NRFANRHFSA-N 2 1 392.632 3.939 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc2C1 ZINC000491025577 853404236 /nfs/dbraw/zinc/40/42/36/853404236.db2.gz VYFVWPLOYBKALD-RDGATRHJSA-N 2 1 391.559 3.634 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000519720223 853405136 /nfs/dbraw/zinc/40/51/36/853405136.db2.gz YZHKTHFINLEOCQ-KDOFPFPSSA-N 2 1 391.357 3.927 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000519720223 853405141 /nfs/dbraw/zinc/40/51/41/853405141.db2.gz YZHKTHFINLEOCQ-KDOFPFPSSA-N 2 1 391.357 3.927 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426309899 853407848 /nfs/dbraw/zinc/40/78/48/853407848.db2.gz ISIGAJXRXQSKKR-GCJKJVERSA-N 2 1 375.516 3.539 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426309899 853407850 /nfs/dbraw/zinc/40/78/50/853407850.db2.gz ISIGAJXRXQSKKR-GCJKJVERSA-N 2 1 375.516 3.539 20 0 GHADMP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000517142591 853432798 /nfs/dbraw/zinc/43/27/98/853432798.db2.gz SDWZUXHZVOTYLI-NRFANRHFSA-N 2 1 394.563 3.871 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000556037208 862464246 /nfs/dbraw/zinc/46/42/46/862464246.db2.gz OVWBKXXHQJOYON-UHFFFAOYSA-N 2 1 388.471 3.634 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)C ZINC000491152366 853472526 /nfs/dbraw/zinc/47/25/26/853472526.db2.gz ZFBRBOGJQLUWFU-KPLVRAHFSA-N 2 1 386.584 3.502 20 0 GHADMP CSC1(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CCC1 ZINC000290914044 853513045 /nfs/dbraw/zinc/51/30/45/853513045.db2.gz PPLFPZNCIJTDPJ-UHFFFAOYSA-N 2 1 378.582 3.552 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000520122920 853873373 /nfs/dbraw/zinc/87/33/73/853873373.db2.gz ILMIUIVFWRMBQH-XXBNENTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000520122920 853873382 /nfs/dbraw/zinc/87/33/82/853873382.db2.gz ILMIUIVFWRMBQH-XXBNENTESA-N 2 1 379.548 3.980 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000441162055 853959092 /nfs/dbraw/zinc/95/90/92/853959092.db2.gz CMJLUINMBJTYJJ-WHIOSMTNSA-N 2 1 383.580 3.933 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000571668496 853979164 /nfs/dbraw/zinc/97/91/64/853979164.db2.gz YPAQNJBSIQETNT-HSZRJFAPSA-N 2 1 379.548 3.667 20 0 GHADMP CCc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000588710044 854368499 /nfs/dbraw/zinc/36/84/99/854368499.db2.gz PBMDEXPLOLNHDM-ROUUACIJSA-N 2 1 398.551 3.620 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)co2)cc1 ZINC000588711269 854369934 /nfs/dbraw/zinc/36/99/34/854369934.db2.gz NKCXKSGVLPYGOI-QZTJIDSGSA-N 2 1 399.535 3.671 20 0 GHADMP CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473947396 854374582 /nfs/dbraw/zinc/37/45/82/854374582.db2.gz RZRHHPAHCPTTQK-WMZHIEFXSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@H](N[C@@H](C)c1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550390733 854432715 /nfs/dbraw/zinc/43/27/15/854432715.db2.gz GGTOATBJPAJVSD-LNLFQRSKSA-N 2 1 385.939 3.770 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550390733 854432718 /nfs/dbraw/zinc/43/27/18/854432718.db2.gz GGTOATBJPAJVSD-LNLFQRSKSA-N 2 1 385.939 3.770 20 0 GHADMP Cc1cccc(-c2noc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)n2)c1 ZINC000328665793 854495640 /nfs/dbraw/zinc/49/56/40/854495640.db2.gz ZNAFGSJDTTUSMW-GOSISDBHSA-N 2 1 377.492 3.957 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536297424 854648230 /nfs/dbraw/zinc/64/82/30/854648230.db2.gz VEUPGJUNVIOSTE-PMACEKPBSA-N 2 1 392.975 3.506 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536297424 854648235 /nfs/dbraw/zinc/64/82/35/854648235.db2.gz VEUPGJUNVIOSTE-PMACEKPBSA-N 2 1 392.975 3.506 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000589210405 854751772 /nfs/dbraw/zinc/75/17/72/854751772.db2.gz XLDXXSCGYKXGOA-QFBILLFUSA-N 2 1 380.964 3.506 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168388237 854759905 /nfs/dbraw/zinc/75/99/05/854759905.db2.gz CTIRIJLZHSUXGT-UHFFFAOYSA-N 2 1 397.485 3.577 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168389060 854805348 /nfs/dbraw/zinc/80/53/48/854805348.db2.gz IZEROGJHHCJUEB-QHCPKHFHSA-N 2 1 385.596 3.856 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000589507231 854895875 /nfs/dbraw/zinc/89/58/75/854895875.db2.gz JOZQSHKHRFYKPQ-QHCPKHFHSA-N 2 1 379.548 3.660 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000589507231 854895879 /nfs/dbraw/zinc/89/58/79/854895879.db2.gz JOZQSHKHRFYKPQ-QHCPKHFHSA-N 2 1 379.548 3.660 20 0 GHADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572702554 854939586 /nfs/dbraw/zinc/93/95/86/854939586.db2.gz RPFWCIZZAZTDEI-UZLBHIALSA-N 2 1 388.556 3.686 20 0 GHADMP O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441462510 855016170 /nfs/dbraw/zinc/01/61/70/855016170.db2.gz IQUWYBBBPAAISO-SFTDATJTSA-N 2 1 391.559 3.963 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168048145 862632298 /nfs/dbraw/zinc/63/22/98/862632298.db2.gz URDJIGBCXIEWRA-LXCVFVNYSA-N 2 1 386.580 3.946 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168048145 862632302 /nfs/dbraw/zinc/63/23/02/862632302.db2.gz URDJIGBCXIEWRA-LXCVFVNYSA-N 2 1 386.580 3.946 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168048145 862632306 /nfs/dbraw/zinc/63/23/06/862632306.db2.gz URDJIGBCXIEWRA-LXCVFVNYSA-N 2 1 386.580 3.946 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168395422 855175949 /nfs/dbraw/zinc/17/59/49/855175949.db2.gz ZKASKECJYDHXTQ-LJQANCHMSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168395422 855175955 /nfs/dbraw/zinc/17/59/55/855175955.db2.gz ZKASKECJYDHXTQ-LJQANCHMSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)N1CC[NH+](C)CC1 ZINC000075763164 855203144 /nfs/dbraw/zinc/20/31/44/855203144.db2.gz APOZSVICWSBKGY-HXUWFJFHSA-N 2 1 375.944 3.962 20 0 GHADMP CC[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999468 855220706 /nfs/dbraw/zinc/22/07/06/855220706.db2.gz KCMZMMPXPYYJBG-UHFFFAOYSA-N 2 1 383.540 3.520 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999468 855220715 /nfs/dbraw/zinc/22/07/15/855220715.db2.gz KCMZMMPXPYYJBG-UHFFFAOYSA-N 2 1 383.540 3.520 20 0 GHADMP CNC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000482064680 862666669 /nfs/dbraw/zinc/66/66/69/862666669.db2.gz BSXMPRYHZLDWEY-GPJHCHHRSA-N 2 1 377.532 3.649 20 0 GHADMP CNC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000482064680 862666675 /nfs/dbraw/zinc/66/66/75/862666675.db2.gz BSXMPRYHZLDWEY-GPJHCHHRSA-N 2 1 377.532 3.649 20 0 GHADMP COc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)ccc1Cl ZINC001168001911 855533123 /nfs/dbraw/zinc/53/31/23/855533123.db2.gz ADLXENNBUHAVCX-YOFSQIOKSA-N 2 1 389.971 3.876 20 0 GHADMP COc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)ccc1Cl ZINC001168001911 855533126 /nfs/dbraw/zinc/53/31/26/855533126.db2.gz ADLXENNBUHAVCX-YOFSQIOKSA-N 2 1 389.971 3.876 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000573288586 856013020 /nfs/dbraw/zinc/01/30/20/856013020.db2.gz AAJIHPKLMZHHFQ-UHFFFAOYSA-N 2 1 384.549 3.626 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+](C)C ZINC000508898386 856080558 /nfs/dbraw/zinc/08/05/58/856080558.db2.gz LLOCTNNBHUFEIA-LBVMUVSTSA-N 2 1 398.595 3.645 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+](C)C ZINC000508898388 856081688 /nfs/dbraw/zinc/08/16/88/856081688.db2.gz LLOCTNNBHUFEIA-ZZTDLJEGSA-N 2 1 398.595 3.645 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1sccc1Br ZINC000542848828 856127494 /nfs/dbraw/zinc/12/74/94/856127494.db2.gz GYNJBGKQGFNZKQ-BBRMVZONSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1sccc1Br ZINC000542848828 856127498 /nfs/dbraw/zinc/12/74/98/856127498.db2.gz GYNJBGKQGFNZKQ-BBRMVZONSA-N 2 1 395.366 3.928 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CCC[N@H+]4C)CC3)c2c1C ZINC000485168497 856181871 /nfs/dbraw/zinc/18/18/71/856181871.db2.gz PGKLMJFEVLNBHE-UHFFFAOYSA-N 2 1 399.608 3.969 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CCC[N@@H+]4C)CC3)c2c1C ZINC000485168497 856181876 /nfs/dbraw/zinc/18/18/76/856181876.db2.gz PGKLMJFEVLNBHE-UHFFFAOYSA-N 2 1 399.608 3.969 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000429227038 856204869 /nfs/dbraw/zinc/20/48/69/856204869.db2.gz MVTLOVUXHAQRSS-UHFFFAOYSA-N 2 1 394.922 3.609 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000429227038 856204879 /nfs/dbraw/zinc/20/48/79/856204879.db2.gz MVTLOVUXHAQRSS-UHFFFAOYSA-N 2 1 394.922 3.609 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)C[C@@H]21 ZINC000579593648 856207381 /nfs/dbraw/zinc/20/73/81/856207381.db2.gz ZDHINVRJSHWLBH-RJSMDTJLSA-N 2 1 397.950 3.605 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)C[C@@H]21 ZINC000579593648 856207400 /nfs/dbraw/zinc/20/74/00/856207400.db2.gz ZDHINVRJSHWLBH-RJSMDTJLSA-N 2 1 397.950 3.605 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168664124 856322314 /nfs/dbraw/zinc/32/23/14/856322314.db2.gz ZDMMDUWRZURUJF-AANQFLQQSA-N 2 1 392.543 3.979 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168664124 856322319 /nfs/dbraw/zinc/32/23/19/856322319.db2.gz ZDMMDUWRZURUJF-AANQFLQQSA-N 2 1 392.543 3.979 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168664124 856322322 /nfs/dbraw/zinc/32/23/22/856322322.db2.gz ZDMMDUWRZURUJF-AANQFLQQSA-N 2 1 392.543 3.979 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000429232181 856396531 /nfs/dbraw/zinc/39/65/31/856396531.db2.gz AQFKVJUBWRNMFJ-RTBURBONSA-N 2 1 382.552 3.914 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000429232181 856396539 /nfs/dbraw/zinc/39/65/39/856396539.db2.gz AQFKVJUBWRNMFJ-RTBURBONSA-N 2 1 382.552 3.914 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000658076046 856408231 /nfs/dbraw/zinc/40/82/31/856408231.db2.gz DSLLKXJWTMLESV-GVAUOCQISA-N 2 1 391.559 3.856 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3sccc3Br)CC2)C[C@H](C)O1 ZINC000110432588 856548188 /nfs/dbraw/zinc/54/81/88/856548188.db2.gz UUKOAPOAWAGLQI-KBPBESRZSA-N 2 1 387.387 3.832 20 0 GHADMP COc1ccc([C@H]2C[C@@H](N(c3cccc(C)[nH+]3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168675009 856550513 /nfs/dbraw/zinc/55/05/13/856550513.db2.gz JMRYHBIOELJWMJ-RBBKRZOGSA-N 2 1 381.520 3.877 20 0 GHADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000427693515 856551692 /nfs/dbraw/zinc/55/16/92/856551692.db2.gz FWQRHAKXAPLYSW-DNQXCXABSA-N 2 1 393.575 3.741 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000542885205 856652106 /nfs/dbraw/zinc/65/21/06/856652106.db2.gz UZSVPVREKIRADZ-QRWLVFNGSA-N 2 1 385.895 3.925 20 0 GHADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485481829 856654240 /nfs/dbraw/zinc/65/42/40/856654240.db2.gz VMEQTFDTCYTVOV-OAQYLSRUSA-N 2 1 383.580 3.766 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CC1 ZINC000507969895 856747922 /nfs/dbraw/zinc/74/79/22/856747922.db2.gz MUCRVGNBGDCJTB-UHFFFAOYSA-N 2 1 387.490 3.904 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000045790297 856766175 /nfs/dbraw/zinc/76/61/75/856766175.db2.gz OAJQZZHRKRROKY-UHFFFAOYSA-N 2 1 396.579 3.800 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000111089409 856777580 /nfs/dbraw/zinc/77/75/80/856777580.db2.gz INNOJJPZBYDYNA-QHCPKHFHSA-N 2 1 379.548 3.634 20 0 GHADMP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccc(F)cc1 ZINC001168370400 856784809 /nfs/dbraw/zinc/78/48/09/856784809.db2.gz NEEDKVFJJUFPLU-QHCPKHFHSA-N 2 1 397.538 3.909 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000693678496 856789699 /nfs/dbraw/zinc/78/96/99/856789699.db2.gz MYPJOPQRHGZZHR-CEXWTWQISA-N 2 1 377.573 3.627 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000573979464 856839557 /nfs/dbraw/zinc/83/95/57/856839557.db2.gz QBTJYUJUZFYMNU-RUZDIDTESA-N 2 1 393.575 3.736 20 0 GHADMP COCCOCc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000574003000 856851748 /nfs/dbraw/zinc/85/17/48/856851748.db2.gz SOLGMGZNZSVRKU-VWLOTQADSA-N 2 1 394.559 3.948 20 0 GHADMP COCCOCc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574003000 856851756 /nfs/dbraw/zinc/85/17/56/856851756.db2.gz SOLGMGZNZSVRKU-VWLOTQADSA-N 2 1 394.559 3.948 20 0 GHADMP COCCOCc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000574003000 856851765 /nfs/dbraw/zinc/85/17/65/856851765.db2.gz SOLGMGZNZSVRKU-VWLOTQADSA-N 2 1 394.559 3.948 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000672226502 856887360 /nfs/dbraw/zinc/88/73/60/856887360.db2.gz VRYGQFMLEGXAQS-NJDAHSKKSA-N 2 1 399.579 3.639 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000542931599 856896098 /nfs/dbraw/zinc/89/60/98/856896098.db2.gz SNHCXJLCNAQDBL-UHFFFAOYSA-N 2 1 382.339 3.738 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000592492327 856898814 /nfs/dbraw/zinc/89/88/14/856898814.db2.gz YMTQNGZNWOMJSU-MOPGFXCFSA-N 2 1 399.560 3.808 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)c2)CC1 ZINC000592519709 856916741 /nfs/dbraw/zinc/91/67/41/856916741.db2.gz SKILKNKSDHMJBP-JOCHJYFZSA-N 2 1 398.595 3.735 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000508258368 857113832 /nfs/dbraw/zinc/11/38/32/857113832.db2.gz SXBNCQKDNRPNCQ-UHFFFAOYSA-N 2 1 383.580 3.720 20 0 GHADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185685 862872916 /nfs/dbraw/zinc/87/29/16/862872916.db2.gz MYIWBBCKZJHUCG-VQIMIIECSA-N 2 1 385.474 3.546 20 0 GHADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185685 862872925 /nfs/dbraw/zinc/87/29/25/862872925.db2.gz MYIWBBCKZJHUCG-VQIMIIECSA-N 2 1 385.474 3.546 20 0 GHADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185685 862872945 /nfs/dbraw/zinc/87/29/45/862872945.db2.gz MYIWBBCKZJHUCG-VQIMIIECSA-N 2 1 385.474 3.546 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465945728 857182985 /nfs/dbraw/zinc/18/29/85/857182985.db2.gz AQPNWNUKDCGWKG-QWFCFKBJSA-N 2 1 392.613 3.695 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465945728 857182990 /nfs/dbraw/zinc/18/29/90/857182990.db2.gz AQPNWNUKDCGWKG-QWFCFKBJSA-N 2 1 392.613 3.695 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465945728 857182995 /nfs/dbraw/zinc/18/29/95/857182995.db2.gz AQPNWNUKDCGWKG-QWFCFKBJSA-N 2 1 392.613 3.695 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000429249091 857238626 /nfs/dbraw/zinc/23/86/26/857238626.db2.gz YUYXMWBFMJPQNP-CQSZACIVSA-N 2 1 380.895 3.977 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000429249091 857238635 /nfs/dbraw/zinc/23/86/35/857238635.db2.gz YUYXMWBFMJPQNP-CQSZACIVSA-N 2 1 380.895 3.977 20 0 GHADMP CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675580047 857513051 /nfs/dbraw/zinc/51/30/51/857513051.db2.gz RQDWOURRDPPXFE-HSZRJFAPSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000181575023 862927101 /nfs/dbraw/zinc/92/71/01/862927101.db2.gz SCIRKSVZZJEWBT-INIZCTEOSA-N 2 1 387.474 3.528 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)C1 ZINC000442226846 857619190 /nfs/dbraw/zinc/61/91/90/857619190.db2.gz BPDKGXUYUHSDDO-IFMALSPDSA-N 2 1 397.567 3.615 20 0 GHADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000593611962 857637278 /nfs/dbraw/zinc/63/72/78/857637278.db2.gz FKDOWKQEPNSPAH-INIZCTEOSA-N 2 1 390.572 3.800 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000064055586 857682786 /nfs/dbraw/zinc/68/27/86/857682786.db2.gz BDUOBVMODNESKM-QHCPKHFHSA-N 2 1 379.548 3.982 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000064735911 857736619 /nfs/dbraw/zinc/73/66/19/857736619.db2.gz RRZRDRNSXSYDBB-MZKRTTBSSA-N 2 1 383.580 3.762 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000671740287 857751682 /nfs/dbraw/zinc/75/16/82/857751682.db2.gz GXQGVYDIYWXNKI-JVICHNFNSA-N 2 1 390.575 3.923 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H]2CCC[C@@H]21 ZINC000671743457 857768868 /nfs/dbraw/zinc/76/88/68/857768868.db2.gz NKKVFGAGRUNXMA-BZSNNMDCSA-N 2 1 378.442 3.854 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000521317646 857865534 /nfs/dbraw/zinc/86/55/34/857865534.db2.gz QUANCHKQHMAYFX-CRAIPNDOSA-N 2 1 385.458 3.961 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000109754948 857975092 /nfs/dbraw/zinc/97/50/92/857975092.db2.gz CKZJRKMYJFNFKD-GOSISDBHSA-N 2 1 382.017 3.924 20 0 GHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181704769 862977601 /nfs/dbraw/zinc/97/76/01/862977601.db2.gz NMTPPMNUEAHGNY-HNNXBMFYSA-N 2 1 394.357 3.874 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(Br)c1OC ZINC000067507255 858035880 /nfs/dbraw/zinc/03/58/80/858035880.db2.gz VXAYHXHLDQRWST-AWEZNQCLSA-N 2 1 385.346 3.676 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(Br)c1OC ZINC000067507255 858035883 /nfs/dbraw/zinc/03/58/83/858035883.db2.gz VXAYHXHLDQRWST-AWEZNQCLSA-N 2 1 385.346 3.676 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442864886 858183531 /nfs/dbraw/zinc/18/35/31/858183531.db2.gz AVEPXEFYLMGGFN-GMAHTHKFSA-N 2 1 384.612 3.928 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442864886 858183536 /nfs/dbraw/zinc/18/35/36/858183536.db2.gz AVEPXEFYLMGGFN-GMAHTHKFSA-N 2 1 384.612 3.928 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000181769302 863008310 /nfs/dbraw/zinc/00/83/10/863008310.db2.gz ARXZVRBPUUJTFM-LALPHHSUSA-N 2 1 379.854 3.841 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000521842838 858360213 /nfs/dbraw/zinc/36/02/13/858360213.db2.gz OJUUKFKAGBUNNU-NRFANRHFSA-N 2 1 396.535 3.766 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000574869049 858400732 /nfs/dbraw/zinc/40/07/32/858400732.db2.gz KZEXXPCRDJVJAB-WOJBJXKFSA-N 2 1 388.577 3.552 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000574869049 858400735 /nfs/dbraw/zinc/40/07/35/858400735.db2.gz KZEXXPCRDJVJAB-WOJBJXKFSA-N 2 1 388.577 3.552 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000521913780 858441377 /nfs/dbraw/zinc/44/13/77/858441377.db2.gz IAAALBONXPVZAN-UTKZUKDTSA-N 2 1 385.577 3.694 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000521913780 858441381 /nfs/dbraw/zinc/44/13/81/858441381.db2.gz IAAALBONXPVZAN-UTKZUKDTSA-N 2 1 385.577 3.694 20 0 GHADMP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000443230250 858490752 /nfs/dbraw/zinc/49/07/52/858490752.db2.gz DERJSONQPBHSEO-QGZVFWFLSA-N 2 1 394.991 3.534 20 0 GHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000443230250 858490759 /nfs/dbraw/zinc/49/07/59/858490759.db2.gz DERJSONQPBHSEO-QGZVFWFLSA-N 2 1 394.991 3.534 20 0 GHADMP Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000575097836 858585437 /nfs/dbraw/zinc/58/54/37/858585437.db2.gz PPXKWAMECLTOSJ-NNWRFLSQSA-N 2 1 377.532 3.776 20 0 GHADMP FC(F)(F)c1cccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166235085 858620191 /nfs/dbraw/zinc/62/01/91/858620191.db2.gz PIRXRYXEOVXFHS-WOJBJXKFSA-N 2 1 381.486 3.886 20 0 GHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000181940135 863059499 /nfs/dbraw/zinc/05/94/99/863059499.db2.gz PUEYUXYVGYXSFH-NTKDMRAZSA-N 2 1 394.563 3.674 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2)cc1 ZINC000183679713 858794739 /nfs/dbraw/zinc/79/47/39/858794739.db2.gz APDGNJJMIQETLC-HOTGVXAUSA-N 2 1 391.475 3.568 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000482750042 858818772 /nfs/dbraw/zinc/81/87/72/858818772.db2.gz ASCQIPNUNPGHPR-OALUTQOASA-N 2 1 385.577 3.870 20 0 GHADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587287 858985768 /nfs/dbraw/zinc/98/57/68/858985768.db2.gz DXLJVXOXIPKXDB-MRXNPFEDSA-N 2 1 379.495 3.880 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccccc3OCC3CC3)C2)ccn1 ZINC000856552656 881379040 /nfs/dbraw/zinc/37/90/40/881379040.db2.gz FZFFMZFMEIDXRJ-QHCPKHFHSA-N 2 1 395.547 3.975 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3OCC3CC3)C2)ccn1 ZINC000856552656 881379059 /nfs/dbraw/zinc/37/90/59/881379059.db2.gz FZFFMZFMEIDXRJ-QHCPKHFHSA-N 2 1 395.547 3.975 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)C2)ccn1 ZINC000856552656 881379080 /nfs/dbraw/zinc/37/90/80/881379080.db2.gz FZFFMZFMEIDXRJ-QHCPKHFHSA-N 2 1 395.547 3.975 20 0 GHADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000483060731 859119442 /nfs/dbraw/zinc/11/94/42/859119442.db2.gz XEZBOAKNAVDEDQ-DVECYGJZSA-N 2 1 377.532 3.592 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000483060731 859119448 /nfs/dbraw/zinc/11/94/48/859119448.db2.gz XEZBOAKNAVDEDQ-DVECYGJZSA-N 2 1 377.532 3.592 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745532 859124462 /nfs/dbraw/zinc/12/44/62/859124462.db2.gz ZZGBRVZBSDELLZ-OFNKIYASSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745532 859124468 /nfs/dbraw/zinc/12/44/68/859124468.db2.gz ZZGBRVZBSDELLZ-OFNKIYASSA-N 2 1 397.607 3.710 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185760790 859125836 /nfs/dbraw/zinc/12/58/36/859125836.db2.gz MNRDJRGCXCXTJA-VWQFJMCTSA-N 2 1 399.579 3.505 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185760790 859125844 /nfs/dbraw/zinc/12/58/44/859125844.db2.gz MNRDJRGCXCXTJA-VWQFJMCTSA-N 2 1 399.579 3.505 20 0 GHADMP COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000185765165 859126726 /nfs/dbraw/zinc/12/67/26/859126726.db2.gz QKRRTTYQMSSVEG-GJZGRUSLSA-N 2 1 379.932 3.530 20 0 GHADMP COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000185765165 859126730 /nfs/dbraw/zinc/12/67/30/859126730.db2.gz QKRRTTYQMSSVEG-GJZGRUSLSA-N 2 1 379.932 3.530 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000483101826 859138631 /nfs/dbraw/zinc/13/86/31/859138631.db2.gz IWBSQFZPBZKRMX-QWFCFKBJSA-N 2 1 392.613 3.695 20 0 GHADMP OC(C[NH+]1CC[C@@H](c2ccc(F)cc2)C1)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483114043 859158402 /nfs/dbraw/zinc/15/84/02/859158402.db2.gz VRVYXEZFNICAFD-WOJBJXKFSA-N 2 1 386.486 3.605 20 0 GHADMP OC(C[NH+]1CC[C@@H](c2ccc(F)cc2)C1)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483114043 859158407 /nfs/dbraw/zinc/15/84/07/859158407.db2.gz VRVYXEZFNICAFD-WOJBJXKFSA-N 2 1 386.486 3.605 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000483155785 859187662 /nfs/dbraw/zinc/18/76/62/859187662.db2.gz HXVMQKLACBJMEI-QHAWAJNXSA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000483155785 859187670 /nfs/dbraw/zinc/18/76/70/859187670.db2.gz HXVMQKLACBJMEI-QHAWAJNXSA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000483155785 859187674 /nfs/dbraw/zinc/18/76/74/859187674.db2.gz HXVMQKLACBJMEI-QHAWAJNXSA-N 2 1 375.601 3.754 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)ccc3OC)C2)ccn1 ZINC000856554154 881392782 /nfs/dbraw/zinc/39/27/82/881392782.db2.gz PPJMKNCUKDGWRH-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)ccc3OC)C2)ccn1 ZINC000856554154 881392852 /nfs/dbraw/zinc/39/28/52/881392852.db2.gz PPJMKNCUKDGWRH-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OC)C2)ccn1 ZINC000856554154 881392919 /nfs/dbraw/zinc/39/29/19/881392919.db2.gz PPJMKNCUKDGWRH-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC)C2)ccn1 ZINC000856554154 881392996 /nfs/dbraw/zinc/39/29/96/881392996.db2.gz PPJMKNCUKDGWRH-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2)C[C@@H](C)O1 ZINC000483168790 859202619 /nfs/dbraw/zinc/20/26/19/859202619.db2.gz OEUDGNAJKVXEBW-SFHLNBCPSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c2)C[C@@H](C)O1 ZINC000483168790 859202635 /nfs/dbraw/zinc/20/26/35/859202635.db2.gz OEUDGNAJKVXEBW-SFHLNBCPSA-N 2 1 399.579 3.889 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C\c3ccccc3OC)C2)ccn1 ZINC000856554616 881395151 /nfs/dbraw/zinc/39/51/51/881395151.db2.gz UOXMVJMDEVLXGK-PYHFOVLWSA-N 2 1 381.520 3.708 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C\c3ccccc3OC)C2)ccn1 ZINC000856554616 881395170 /nfs/dbraw/zinc/39/51/70/881395170.db2.gz UOXMVJMDEVLXGK-PYHFOVLWSA-N 2 1 381.520 3.708 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C\c3ccccc3OC)C2)ccn1 ZINC000856554616 881395188 /nfs/dbraw/zinc/39/51/88/881395188.db2.gz UOXMVJMDEVLXGK-PYHFOVLWSA-N 2 1 381.520 3.708 20 0 GHADMP Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001168410686 859275765 /nfs/dbraw/zinc/27/57/65/859275765.db2.gz DLFAEVIHIJTVKD-HJOGWXRNSA-N 2 1 385.571 3.611 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000466719562 859282396 /nfs/dbraw/zinc/28/23/96/859282396.db2.gz XEKWTSBSTJISRP-QGZVFWFLSA-N 2 1 393.597 3.558 20 0 GHADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000194837947 859320429 /nfs/dbraw/zinc/32/04/29/859320429.db2.gz DRWSMGLDXPHDBI-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000568237136 859386667 /nfs/dbraw/zinc/38/66/67/859386667.db2.gz MXASUFCKFUIMCX-MOPGFXCFSA-N 2 1 375.900 3.713 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000466734537 859391066 /nfs/dbraw/zinc/39/10/66/859391066.db2.gz JWTUQPDFZSTMNG-KRWDZBQOSA-N 2 1 395.975 3.798 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@H]21 ZINC000483482346 859404381 /nfs/dbraw/zinc/40/43/81/859404381.db2.gz AWFOHGYKNUEXRQ-DENIHFKCSA-N 2 1 375.601 3.897 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000466746970 859459659 /nfs/dbraw/zinc/45/96/59/859459659.db2.gz BZERTOPDLFVQGZ-FQEVSTJZSA-N 2 1 389.584 3.762 20 0 GHADMP CC(C)c1nccn1CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483577874 859461675 /nfs/dbraw/zinc/46/16/75/859461675.db2.gz VHQGEZVWXWTCCS-YADHBBJMSA-N 2 1 394.563 3.910 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483577874 859461682 /nfs/dbraw/zinc/46/16/82/859461682.db2.gz VHQGEZVWXWTCCS-YADHBBJMSA-N 2 1 394.563 3.910 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483577874 859461688 /nfs/dbraw/zinc/46/16/88/859461688.db2.gz VHQGEZVWXWTCCS-YADHBBJMSA-N 2 1 394.563 3.910 20 0 GHADMP CCC[N@H+](CCC(=O)Nc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198109 859493632 /nfs/dbraw/zinc/49/36/32/859493632.db2.gz MUVXRNOVYQTIDV-UHFFFAOYSA-N 2 1 395.551 3.803 20 0 GHADMP CCC[N@@H+](CCC(=O)Nc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198109 859493635 /nfs/dbraw/zinc/49/36/35/859493635.db2.gz MUVXRNOVYQTIDV-UHFFFAOYSA-N 2 1 395.551 3.803 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466443097 859515742 /nfs/dbraw/zinc/51/57/42/859515742.db2.gz BBBWJKWMBYZWMQ-YSNUMNBNSA-N 2 1 384.486 3.828 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466443097 859515753 /nfs/dbraw/zinc/51/57/53/859515753.db2.gz BBBWJKWMBYZWMQ-YSNUMNBNSA-N 2 1 384.486 3.828 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559550 881433748 /nfs/dbraw/zinc/43/37/48/881433748.db2.gz PSOVVCAEGQXEQB-FQEVSTJZSA-N 2 1 395.507 3.558 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559550 881433794 /nfs/dbraw/zinc/43/37/94/881433794.db2.gz PSOVVCAEGQXEQB-FQEVSTJZSA-N 2 1 395.507 3.558 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559550 881433843 /nfs/dbraw/zinc/43/38/43/881433843.db2.gz PSOVVCAEGQXEQB-FQEVSTJZSA-N 2 1 395.507 3.558 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000114455539 859613848 /nfs/dbraw/zinc/61/38/48/859613848.db2.gz JWMIEKNVUVJCIE-MRXNPFEDSA-N 2 1 377.960 3.854 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000114455539 859613859 /nfs/dbraw/zinc/61/38/59/859613859.db2.gz JWMIEKNVUVJCIE-MRXNPFEDSA-N 2 1 377.960 3.854 20 0 GHADMP Cc1nn(-c2ccncc2)cc1CN[C@@H](C)c1nc(-c2ccncc2)cs1 ZINC000543415106 859628477 /nfs/dbraw/zinc/62/84/77/859628477.db2.gz WUQOTVHLWFVPRR-HNNXBMFYSA-N 2 1 376.489 3.945 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560833 881444941 /nfs/dbraw/zinc/44/49/41/881444941.db2.gz PHYSPFWXGPIKMI-QFIPXVFZSA-N 2 1 381.520 3.510 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560833 881444948 /nfs/dbraw/zinc/44/49/48/881444948.db2.gz PHYSPFWXGPIKMI-QFIPXVFZSA-N 2 1 381.520 3.510 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560833 881444951 /nfs/dbraw/zinc/44/49/51/881444951.db2.gz PHYSPFWXGPIKMI-QFIPXVFZSA-N 2 1 381.520 3.510 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764964216 859711624 /nfs/dbraw/zinc/71/16/24/859711624.db2.gz QPKYZVDZBMIPEK-HOTGVXAUSA-N 2 1 388.524 3.846 20 0 GHADMP CC(C)C[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000474260770 859717762 /nfs/dbraw/zinc/71/77/62/859717762.db2.gz WFKAZEOBMXOOCV-HSZRJFAPSA-N 2 1 385.596 3.692 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)cc(F)c3)C2)ccn1 ZINC000856561607 881468821 /nfs/dbraw/zinc/46/88/21/881468821.db2.gz VGMCAVADEKNRGN-OAQYLSRUSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)cc(F)c3)C2)ccn1 ZINC000856561607 881468825 /nfs/dbraw/zinc/46/88/25/881468825.db2.gz VGMCAVADEKNRGN-OAQYLSRUSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)ccn1 ZINC000856561607 881468829 /nfs/dbraw/zinc/46/88/29/881468829.db2.gz VGMCAVADEKNRGN-OAQYLSRUSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)ccn1 ZINC000856561607 881468832 /nfs/dbraw/zinc/46/88/32/881468832.db2.gz VGMCAVADEKNRGN-OAQYLSRUSA-N 2 1 375.463 3.853 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562131 881470042 /nfs/dbraw/zinc/47/00/42/881470042.db2.gz YNFBIIAFZFBQIN-OAQYLSRUSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562131 881470059 /nfs/dbraw/zinc/47/00/59/881470059.db2.gz YNFBIIAFZFBQIN-OAQYLSRUSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562131 881470069 /nfs/dbraw/zinc/47/00/69/881470069.db2.gz YNFBIIAFZFBQIN-OAQYLSRUSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)n1C1CCCCC1 ZINC000602199787 859861164 /nfs/dbraw/zinc/86/11/64/859861164.db2.gz ACZIPPHGSWGFNS-LJQANCHMSA-N 2 1 386.584 3.508 20 0 GHADMP Cc1cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000602199787 859861173 /nfs/dbraw/zinc/86/11/73/859861173.db2.gz ACZIPPHGSWGFNS-LJQANCHMSA-N 2 1 386.584 3.508 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428864064 860043334 /nfs/dbraw/zinc/04/33/34/860043334.db2.gz ASAJOTWAXADIMZ-UHFFFAOYSA-N 2 1 385.508 3.682 20 0 GHADMP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000499192845 881500728 /nfs/dbraw/zinc/50/07/28/881500728.db2.gz QNNFAXVXOCVQAH-MYGLTJDJSA-N 2 1 378.516 3.784 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000499926296 860180999 /nfs/dbraw/zinc/18/09/99/860180999.db2.gz FHJYLOWWAKLXJP-JOCHJYFZSA-N 2 1 385.577 3.762 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000428884290 860193907 /nfs/dbraw/zinc/19/39/07/860193907.db2.gz FDRXFMRNNAZFBP-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000428884290 860193912 /nfs/dbraw/zinc/19/39/12/860193912.db2.gz FDRXFMRNNAZFBP-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000428884290 860193916 /nfs/dbraw/zinc/19/39/16/860193916.db2.gz FDRXFMRNNAZFBP-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036142 860230715 /nfs/dbraw/zinc/23/07/15/860230715.db2.gz UCABOGQPMYKIFD-ZFCUDEJISA-N 2 1 393.579 3.995 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474501392 860236516 /nfs/dbraw/zinc/23/65/16/860236516.db2.gz VIZUKSIZCRFZSW-JQVVWYNYSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474501392 860236521 /nfs/dbraw/zinc/23/65/21/860236521.db2.gz VIZUKSIZCRFZSW-JQVVWYNYSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474501392 860236525 /nfs/dbraw/zinc/23/65/25/860236525.db2.gz VIZUKSIZCRFZSW-JQVVWYNYSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474501392 860236528 /nfs/dbraw/zinc/23/65/28/860236528.db2.gz VIZUKSIZCRFZSW-JQVVWYNYSA-N 2 1 389.559 3.664 20 0 GHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1cccc(C(F)(F)F)c1 ZINC000484805242 860362470 /nfs/dbraw/zinc/36/24/70/860362470.db2.gz JXZPWSXECQLHGO-QXCFHYIPSA-N 2 1 386.458 3.610 20 0 GHADMP CCc1nc2c(s1)[C@H](NC[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000191837377 860373758 /nfs/dbraw/zinc/37/37/58/860373758.db2.gz QVGNRQCNBXCAAX-RTBURBONSA-N 2 1 385.577 3.964 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000765662078 860389361 /nfs/dbraw/zinc/38/93/61/860389361.db2.gz OBEZSLAJEQWECQ-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000765662078 860389365 /nfs/dbraw/zinc/38/93/65/860389365.db2.gz OBEZSLAJEQWECQ-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453111650 860395481 /nfs/dbraw/zinc/39/54/81/860395481.db2.gz PGEBXHIRAXAOGW-OAQYLSRUSA-N 2 1 377.960 3.714 20 0 GHADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000904404722 860410115 /nfs/dbraw/zinc/41/01/15/860410115.db2.gz DUTMAMKYBPRQKZ-HNNXBMFYSA-N 2 1 390.325 3.594 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698908 860418712 /nfs/dbraw/zinc/41/87/12/860418712.db2.gz VEQJFFJWYWQIMV-KGVIQGDOSA-N 2 1 377.532 3.909 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698908 860418719 /nfs/dbraw/zinc/41/87/19/860418719.db2.gz VEQJFFJWYWQIMV-KGVIQGDOSA-N 2 1 377.532 3.909 20 0 GHADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000657878552 860438027 /nfs/dbraw/zinc/43/80/27/860438027.db2.gz WFLQDAPDAYTFKY-WOJBJXKFSA-N 2 1 387.612 3.909 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000484998404 860579317 /nfs/dbraw/zinc/57/93/17/860579317.db2.gz XGCWWCNAQMEXNE-HKUYNNGSSA-N 2 1 376.504 3.717 20 0 GHADMP COc1ccc(C(=O)CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000509027056 860606679 /nfs/dbraw/zinc/60/66/79/860606679.db2.gz BKBRBONFBARKEG-UHFFFAOYSA-N 2 1 381.520 3.902 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCOc3ccccc3C)C2)ccn1 ZINC000856593019 881565645 /nfs/dbraw/zinc/56/56/45/881565645.db2.gz YQSZLQJBQAHZSD-QFIPXVFZSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCOc3ccccc3C)C2)ccn1 ZINC000856593019 881565661 /nfs/dbraw/zinc/56/56/61/881565661.db2.gz YQSZLQJBQAHZSD-QFIPXVFZSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCOc3ccccc3C)C2)ccn1 ZINC000856593019 881565676 /nfs/dbraw/zinc/56/56/76/881565676.db2.gz YQSZLQJBQAHZSD-QFIPXVFZSA-N 2 1 383.536 3.764 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494321213 881575771 /nfs/dbraw/zinc/57/57/71/881575771.db2.gz WKFQVVKEUJJICM-SFTDATJTSA-N 2 1 393.522 3.725 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494321213 881575793 /nfs/dbraw/zinc/57/57/93/881575793.db2.gz WKFQVVKEUJJICM-SFTDATJTSA-N 2 1 393.522 3.725 20 0 GHADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603903 881577432 /nfs/dbraw/zinc/57/74/32/881577432.db2.gz GYCZEKDIPDVGDB-ZEQRLZLVSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856603903 881577440 /nfs/dbraw/zinc/57/74/40/881577440.db2.gz GYCZEKDIPDVGDB-ZEQRLZLVSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603903 881577451 /nfs/dbraw/zinc/57/74/51/881577451.db2.gz GYCZEKDIPDVGDB-ZEQRLZLVSA-N 2 1 397.563 3.633 20 0 GHADMP c1ccc(COc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2)cc1 ZINC000603517358 860785596 /nfs/dbraw/zinc/78/55/96/860785596.db2.gz RQOFIOAHXFXYQI-DEOSSOPVSA-N 2 1 380.532 3.999 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000600117559 861024364 /nfs/dbraw/zinc/02/43/64/861024364.db2.gz UOWXXXKFIHPTPM-UHFFFAOYSA-N 2 1 381.520 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000600146772 861125819 /nfs/dbraw/zinc/12/58/19/861125819.db2.gz YUTZAJFUMZOLQF-KSEOMHKRSA-N 2 1 393.531 3.649 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000600146772 861125830 /nfs/dbraw/zinc/12/58/30/861125830.db2.gz YUTZAJFUMZOLQF-KSEOMHKRSA-N 2 1 393.531 3.649 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(C(F)(F)F)s2)[C@H](c2ccccc2)C1 ZINC000443987362 863104557 /nfs/dbraw/zinc/10/45/57/863104557.db2.gz XRIGRAWSJPAADZ-KRWDZBQOSA-N 2 1 398.498 3.630 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734880 863164851 /nfs/dbraw/zinc/16/48/51/863164851.db2.gz IYUAZTAZQLDYAC-LPHOPBHVSA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734880 863164857 /nfs/dbraw/zinc/16/48/57/863164857.db2.gz IYUAZTAZQLDYAC-LPHOPBHVSA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734880 863164863 /nfs/dbraw/zinc/16/48/63/863164863.db2.gz IYUAZTAZQLDYAC-LPHOPBHVSA-N 2 1 385.474 3.545 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000522777929 863273578 /nfs/dbraw/zinc/27/35/78/863273578.db2.gz JZYRJLNURDVNIM-UHFFFAOYSA-N 2 1 380.279 3.784 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000183138135 863482822 /nfs/dbraw/zinc/48/28/22/863482822.db2.gz QNLLJQMIKKVHOH-ZWKOTPCHSA-N 2 1 376.504 3.878 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000183155654 863490686 /nfs/dbraw/zinc/49/06/86/863490686.db2.gz ZLXGRTFMVQLPGE-OXJNMPFZSA-N 2 1 390.487 3.753 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000183158522 863491666 /nfs/dbraw/zinc/49/16/66/863491666.db2.gz YYGPQXLVZOPSLK-HNNXBMFYSA-N 2 1 382.895 3.801 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522829831 863496548 /nfs/dbraw/zinc/49/65/48/863496548.db2.gz FHGQRBLNQUXJHN-QFIPXVFZSA-N 2 1 392.547 3.571 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522847079 863545473 /nfs/dbraw/zinc/54/54/73/863545473.db2.gz HBZBMKNFHKRECC-HSZRJFAPSA-N 2 1 386.499 3.642 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000606411517 863578440 /nfs/dbraw/zinc/57/84/40/863578440.db2.gz XTFGXUJNVDKGRQ-NRFANRHFSA-N 2 1 397.607 3.807 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)c2cccs2)CC1 ZINC000606468933 863650055 /nfs/dbraw/zinc/65/00/55/863650055.db2.gz NMAXFCSKQRWWRE-IBGZPJMESA-N 2 1 385.577 3.540 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc21 ZINC000455932609 863793049 /nfs/dbraw/zinc/79/30/49/863793049.db2.gz QBZRFXCKLUCYEW-MTNREXPMSA-N 2 1 382.552 3.716 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCN([C@@H](C)c4ccccc4)C3)CCCC2)CC1 ZINC000532295513 881706729 /nfs/dbraw/zinc/70/67/29/881706729.db2.gz IITQEEIUDHALNE-UNMCSNQZSA-N 2 1 385.596 3.835 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733992318 863906841 /nfs/dbraw/zinc/90/68/41/863906841.db2.gz SEGVFYQZSFEOTQ-LJQANCHMSA-N 2 1 397.485 3.662 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[NH+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC000667611279 863966047 /nfs/dbraw/zinc/96/60/47/863966047.db2.gz IZFQOARHEPQCEU-NVXWUHKLSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC000667611279 863966057 /nfs/dbraw/zinc/96/60/57/863966057.db2.gz IZFQOARHEPQCEU-NVXWUHKLSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)sc2c1)C1CC1 ZINC000667611279 863966079 /nfs/dbraw/zinc/96/60/79/863966079.db2.gz IZFQOARHEPQCEU-NVXWUHKLSA-N 2 1 399.564 3.639 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1cccs1 ZINC000158902285 863985001 /nfs/dbraw/zinc/98/50/01/863985001.db2.gz YEUFCSLJGNZZIN-ROUUACIJSA-N 2 1 377.598 3.902 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1cccs1 ZINC000158902285 863985015 /nfs/dbraw/zinc/98/50/15/863985015.db2.gz YEUFCSLJGNZZIN-ROUUACIJSA-N 2 1 377.598 3.902 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480082635 864030627 /nfs/dbraw/zinc/03/06/27/864030627.db2.gz OKEQFUQJPNBUKU-CTNGQTDRSA-N 2 1 379.504 3.749 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480082635 864030646 /nfs/dbraw/zinc/03/06/46/864030646.db2.gz OKEQFUQJPNBUKU-CTNGQTDRSA-N 2 1 379.504 3.749 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898516888 864072470 /nfs/dbraw/zinc/07/24/70/864072470.db2.gz CWMNJCFVQLHGRR-CEXWTWQISA-N 2 1 399.560 3.710 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)C[C@@H]3C2)cc1 ZINC000898517575 864075064 /nfs/dbraw/zinc/07/50/64/864075064.db2.gz QMGMJIZFFTWWTJ-BJESRGMDSA-N 2 1 384.564 3.605 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]C4CCN(C[C@@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518661 864076968 /nfs/dbraw/zinc/07/69/68/864076968.db2.gz IZBGIJGUGNNAPK-NJRQHTIISA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518661 864076981 /nfs/dbraw/zinc/07/69/81/864076981.db2.gz IZBGIJGUGNNAPK-NJRQHTIISA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518661 864076995 /nfs/dbraw/zinc/07/69/95/864076995.db2.gz IZBGIJGUGNNAPK-NJRQHTIISA-N 3 1 397.607 3.520 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[NH2+][C@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)OCCO2 ZINC000898518385 864077801 /nfs/dbraw/zinc/07/78/01/864077801.db2.gz HGEXEOHZWMZNIT-CTWRKMMKSA-N 2 1 388.527 3.510 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000607281725 864239306 /nfs/dbraw/zinc/23/93/06/864239306.db2.gz AJBLAEBSCXRUAG-FCHUYYIVSA-N 2 1 383.511 3.599 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1)c1ccccc1 ZINC000475156729 864365181 /nfs/dbraw/zinc/36/51/81/864365181.db2.gz MNIOZQUHZKTYMX-MOPGFXCFSA-N 2 1 393.453 3.689 20 0 GHADMP CCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475171955 864394155 /nfs/dbraw/zinc/39/41/55/864394155.db2.gz GFYGJWGXFVARMJ-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP COc1cc(CCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000621742908 864397119 /nfs/dbraw/zinc/39/71/19/864397119.db2.gz AJGYXLZKRGBVAT-GHTZIAJQSA-N 2 1 398.547 3.842 20 0 GHADMP Cc1cccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1C ZINC000537632240 881768766 /nfs/dbraw/zinc/76/87/66/881768766.db2.gz DHLGQJGFFYCJJW-UHFFFAOYSA-N 2 1 393.575 3.764 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1Oc1ccccc1 ZINC000480327242 864504273 /nfs/dbraw/zinc/50/42/73/864504273.db2.gz LMGVCVKKFSNDFV-RBZQAINGSA-N 2 1 380.532 3.866 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645515186 864548644 /nfs/dbraw/zinc/54/86/44/864548644.db2.gz SEOOSLDACPPNSM-LJQANCHMSA-N 2 1 394.563 3.717 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000856828769 881785561 /nfs/dbraw/zinc/78/55/61/881785561.db2.gz WFWXLUXPUKZAPO-HSZRJFAPSA-N 2 1 379.548 3.700 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000607729197 864657586 /nfs/dbraw/zinc/65/75/86/864657586.db2.gz CNHKRWFCLKVCQP-HXUWFJFHSA-N 2 1 377.960 3.888 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000607729197 864657593 /nfs/dbraw/zinc/65/75/93/864657593.db2.gz CNHKRWFCLKVCQP-HXUWFJFHSA-N 2 1 377.960 3.888 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000165640227 864686665 /nfs/dbraw/zinc/68/66/65/864686665.db2.gz HAQLIBIOOJKFKX-OAQYLSRUSA-N 2 1 387.568 3.603 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1cn2cc(Cl)ccc2n1)C1CC[NH+](C)CC1 ZINC000132904190 881796845 /nfs/dbraw/zinc/79/68/45/881796845.db2.gz ZTBQRMXBVBPTBF-UHFFFAOYSA-N 2 1 397.954 3.808 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000166789594 864753161 /nfs/dbraw/zinc/75/31/61/864753161.db2.gz KWCJZLGZJDKMBV-SIKLNZKXSA-N 2 1 380.536 3.820 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000444337591 864759981 /nfs/dbraw/zinc/75/99/81/864759981.db2.gz BENIOVHBIZCLPN-BZSNNMDCSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000444337591 864759985 /nfs/dbraw/zinc/75/99/85/864759985.db2.gz BENIOVHBIZCLPN-BZSNNMDCSA-N 2 1 383.540 3.661 20 0 GHADMP C[C@H](CC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313129 864767943 /nfs/dbraw/zinc/76/79/43/864767943.db2.gz OVLXMIOWNUZJSC-QPPBQGQZSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@H](CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313129 864767955 /nfs/dbraw/zinc/76/79/55/864767955.db2.gz OVLXMIOWNUZJSC-QPPBQGQZSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@H](CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313129 864767965 /nfs/dbraw/zinc/76/79/65/864767965.db2.gz OVLXMIOWNUZJSC-QPPBQGQZSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@H](CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313129 864767972 /nfs/dbraw/zinc/76/79/72/864767972.db2.gz OVLXMIOWNUZJSC-QPPBQGQZSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@H](CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313129 864767979 /nfs/dbraw/zinc/76/79/79/864767979.db2.gz OVLXMIOWNUZJSC-QPPBQGQZSA-N 2 1 382.548 3.551 20 0 GHADMP Clc1cccc(CN2CCCC[C@@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655710506 864800630 /nfs/dbraw/zinc/80/06/30/864800630.db2.gz CLGHOZHWKWGBKK-FGZHOGPDSA-N 2 1 391.987 3.537 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000475363620 864867292 /nfs/dbraw/zinc/86/72/92/864867292.db2.gz WWWGZCJVEBMAAP-KPQWGBOZSA-N 2 1 390.616 3.689 20 0 GHADMP Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000622324898 864924617 /nfs/dbraw/zinc/92/46/17/864924617.db2.gz HCICWKFXTKXKQN-SFHVURJKSA-N 2 1 395.551 3.851 20 0 GHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000554875408 865075219 /nfs/dbraw/zinc/07/52/19/865075219.db2.gz ZDMPZJYDTPUWCM-UHFFFAOYSA-N 2 1 398.378 3.808 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000480707935 865123886 /nfs/dbraw/zinc/12/38/86/865123886.db2.gz LBYBUWYXEVTEIG-HXUWFJFHSA-N 2 1 395.385 3.861 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC(C)(C)C[NH+](C)C)c2c1C ZINC000301074835 865137751 /nfs/dbraw/zinc/13/77/51/865137751.db2.gz YLVNRJPWRVDGAO-UHFFFAOYSA-N 2 1 375.586 3.904 20 0 GHADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000608248940 865152077 /nfs/dbraw/zinc/15/20/77/865152077.db2.gz NVYGBSFIJSNKBD-UGKGYDQZSA-N 2 1 399.966 3.923 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000608248940 865152081 /nfs/dbraw/zinc/15/20/81/865152081.db2.gz NVYGBSFIJSNKBD-UGKGYDQZSA-N 2 1 399.966 3.923 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301369229 865316380 /nfs/dbraw/zinc/31/63/80/865316380.db2.gz SHZBJLNVVAZOHP-UHFFFAOYSA-N 2 1 384.430 3.862 20 0 GHADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000608499810 865388231 /nfs/dbraw/zinc/38/82/31/865388231.db2.gz IEYONSCIDZBYQX-HZPDHXFCSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000608499810 865388247 /nfs/dbraw/zinc/38/82/47/865388247.db2.gz IEYONSCIDZBYQX-HZPDHXFCSA-N 2 1 387.351 3.541 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500917 865389443 /nfs/dbraw/zinc/38/94/43/865389443.db2.gz SJQXCDUWIDDUAA-LSDHHAIUSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500917 865389460 /nfs/dbraw/zinc/38/94/60/865389460.db2.gz SJQXCDUWIDDUAA-LSDHHAIUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500917 865389477 /nfs/dbraw/zinc/38/94/77/865389477.db2.gz SJQXCDUWIDDUAA-LSDHHAIUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500917 865389492 /nfs/dbraw/zinc/38/94/92/865389492.db2.gz SJQXCDUWIDDUAA-LSDHHAIUSA-N 2 1 375.340 3.539 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494549877 881897893 /nfs/dbraw/zinc/89/78/93/881897893.db2.gz SQKLYNIGWYHWGX-OAHLLOKOSA-N 2 1 391.441 3.881 20 0 GHADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000302215447 865770309 /nfs/dbraw/zinc/77/03/09/865770309.db2.gz IYILYUHLORMSRO-KDOFPFPSSA-N 2 1 392.425 3.694 20 0 GHADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000302215447 865770313 /nfs/dbraw/zinc/77/03/13/865770313.db2.gz IYILYUHLORMSRO-KDOFPFPSSA-N 2 1 392.425 3.694 20 0 GHADMP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccc(F)c(F)c2n1 ZINC000302751837 865906115 /nfs/dbraw/zinc/90/61/15/865906115.db2.gz VMBTZVXTMTZMIE-SJPCQFCGSA-N 2 1 386.490 3.569 20 0 GHADMP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccc(F)c(F)c2n1 ZINC000302751837 865906123 /nfs/dbraw/zinc/90/61/23/865906123.db2.gz VMBTZVXTMTZMIE-SJPCQFCGSA-N 2 1 386.490 3.569 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000494564840 881919221 /nfs/dbraw/zinc/91/92/21/881919221.db2.gz LUOHIRGHQVTIMZ-MOPGFXCFSA-N 2 1 378.442 3.667 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000494564840 881919238 /nfs/dbraw/zinc/91/92/38/881919238.db2.gz LUOHIRGHQVTIMZ-MOPGFXCFSA-N 2 1 378.442 3.667 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000534020234 865988821 /nfs/dbraw/zinc/98/88/21/865988821.db2.gz MTAPHTJLRARJEH-GOTSBHOMSA-N 2 1 395.547 3.582 20 0 GHADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCc2c[nH+]cn2C)cc1 ZINC000623086802 866006628 /nfs/dbraw/zinc/00/66/28/866006628.db2.gz KVYAWEITOZSZQX-UHFFFAOYSA-N 2 1 385.515 3.973 20 0 GHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)Cn2c[nH+]c3c2CCCC3)c1 ZINC000543692246 866267745 /nfs/dbraw/zinc/26/77/45/866267745.db2.gz YCQGFVRGQBXVBZ-UHFFFAOYSA-N 2 1 382.552 3.700 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cn2c[nH+]c3c2CCCC3)c1 ZINC000543692246 866267763 /nfs/dbraw/zinc/26/77/63/866267763.db2.gz YCQGFVRGQBXVBZ-UHFFFAOYSA-N 2 1 382.552 3.700 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1cccs1 ZINC000534228838 866296425 /nfs/dbraw/zinc/29/64/25/866296425.db2.gz KROTXZYUCRVYDI-IBGZPJMESA-N 2 1 397.588 3.913 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccs1 ZINC000534228838 866296438 /nfs/dbraw/zinc/29/64/38/866296438.db2.gz KROTXZYUCRVYDI-IBGZPJMESA-N 2 1 397.588 3.913 20 0 GHADMP O[C@@H](COc1ccccc1F)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534230507 866300550 /nfs/dbraw/zinc/30/05/50/866300550.db2.gz WTFRGIVMOHTXQL-OAQYLSRUSA-N 2 1 398.522 3.554 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000478580651 866315552 /nfs/dbraw/zinc/31/55/52/866315552.db2.gz BEISXSLBICSEFD-HSZRJFAPSA-N 2 1 379.548 3.667 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000478580651 866315568 /nfs/dbraw/zinc/31/55/68/866315568.db2.gz BEISXSLBICSEFD-HSZRJFAPSA-N 2 1 379.548 3.667 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000478580651 866315579 /nfs/dbraw/zinc/31/55/79/866315579.db2.gz BEISXSLBICSEFD-HSZRJFAPSA-N 2 1 379.548 3.667 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)o1 ZINC000534228075 866341341 /nfs/dbraw/zinc/34/13/41/866341341.db2.gz BKIJZZZRUWYCNQ-UHFFFAOYSA-N 2 1 382.504 3.863 20 0 GHADMP C[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456318815 866428529 /nfs/dbraw/zinc/42/85/29/866428529.db2.gz BMWUWVIVBKYKLP-HXUWFJFHSA-N 2 1 388.515 3.526 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000456325080 866441222 /nfs/dbraw/zinc/44/12/22/866441222.db2.gz ZPCUSPRRJHLWDX-IPQPSQTFSA-N 2 1 397.485 3.830 20 0 GHADMP COc1ccc([C@@H]2[C@H](COC(=O)c3ccc4c[nH+]cn4c3)CCC[N@H+]2C)cc1 ZINC000793158209 881980947 /nfs/dbraw/zinc/98/09/47/881980947.db2.gz RXJWVPAHWWBNFQ-GHTZIAJQSA-N 2 1 379.460 3.583 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC(=O)N(C)c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000552919587 866492947 /nfs/dbraw/zinc/49/29/47/866492947.db2.gz IYPSMUGGSCSJII-KAGYGMCKSA-N 2 1 377.532 3.985 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000620190149 866519506 /nfs/dbraw/zinc/51/95/06/866519506.db2.gz AJMVLGONQBNARV-QHCPKHFHSA-N 2 1 383.580 3.766 20 0 GHADMP CC1(C)CC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000111509070 866688091 /nfs/dbraw/zinc/68/80/91/866688091.db2.gz LODYLZPIBVTJFL-VCSGRIEYSA-N 2 1 398.595 3.790 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000444588649 866909864 /nfs/dbraw/zinc/90/98/64/866909864.db2.gz FMKDVEPURQONFX-LAUBAEHRSA-N 2 1 395.551 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000444588649 866909882 /nfs/dbraw/zinc/90/98/82/866909882.db2.gz FMKDVEPURQONFX-LAUBAEHRSA-N 2 1 395.551 3.805 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNCc2cc(Br)ccc2OC(F)F)C1 ZINC000385969746 867002865 /nfs/dbraw/zinc/00/28/65/867002865.db2.gz ISHAPYFYNIOUBF-GFCCVEGCSA-N 2 1 377.273 3.870 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000385969746 867002878 /nfs/dbraw/zinc/00/28/78/867002878.db2.gz ISHAPYFYNIOUBF-GFCCVEGCSA-N 2 1 377.273 3.870 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000385969746 867002892 /nfs/dbraw/zinc/00/28/92/867002892.db2.gz ISHAPYFYNIOUBF-GFCCVEGCSA-N 2 1 377.273 3.870 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1c1ccccc1 ZINC000534612072 867138981 /nfs/dbraw/zinc/13/89/81/867138981.db2.gz SBYBGFWYAYOZNY-YTFSRNRJSA-N 2 1 392.547 3.568 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165777 882071474 /nfs/dbraw/zinc/07/14/74/882071474.db2.gz ZKYQKOJNRIZBHV-RJGXRXQPSA-N 2 1 377.532 3.671 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165777 882071483 /nfs/dbraw/zinc/07/14/83/882071483.db2.gz ZKYQKOJNRIZBHV-RJGXRXQPSA-N 2 1 377.532 3.671 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165777 882071501 /nfs/dbraw/zinc/07/15/01/882071501.db2.gz ZKYQKOJNRIZBHV-RJGXRXQPSA-N 2 1 377.532 3.671 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523449058 867331725 /nfs/dbraw/zinc/33/17/25/867331725.db2.gz VOSXUGTUYBMTKF-FGZHOGPDSA-N 2 1 388.596 3.983 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523449058 867331738 /nfs/dbraw/zinc/33/17/38/867331738.db2.gz VOSXUGTUYBMTKF-FGZHOGPDSA-N 2 1 388.596 3.983 20 0 GHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154341006 867361065 /nfs/dbraw/zinc/36/10/65/867361065.db2.gz CFJJDDBRPBOVFP-MRXNPFEDSA-N 2 1 390.572 3.936 20 0 GHADMP Cc1ccc(SCC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C ZINC000154534835 867452480 /nfs/dbraw/zinc/45/24/80/867452480.db2.gz VTUWPQCMDPNQBU-OYRHEFFESA-N 2 1 375.626 3.886 20 0 GHADMP Cc1ccc(SCC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C ZINC000154534835 867452489 /nfs/dbraw/zinc/45/24/89/867452489.db2.gz VTUWPQCMDPNQBU-OYRHEFFESA-N 2 1 375.626 3.886 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000155176062 867786611 /nfs/dbraw/zinc/78/66/11/867786611.db2.gz NKIKVTDBCNRLGB-GFCCVEGCSA-N 2 1 388.393 3.887 20 0 GHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000523849724 868089200 /nfs/dbraw/zinc/08/92/00/868089200.db2.gz CJWXWHFEBJVTCV-CJNGLKHVSA-N 2 1 389.462 3.868 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[NH+](C)C)cc1 ZINC000523902537 868252845 /nfs/dbraw/zinc/25/28/45/868252845.db2.gz NBHVXDAYPWAZIN-OIBXWCBGSA-N 2 1 394.563 3.732 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000553805123 868256678 /nfs/dbraw/zinc/25/66/78/868256678.db2.gz UFJKPQVEAZKMSE-ZRCGQRJVSA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc1F ZINC000857288930 882173906 /nfs/dbraw/zinc/17/39/06/882173906.db2.gz VRDBUVPULIQMJR-IBGZPJMESA-N 2 1 399.510 3.828 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000479652233 868307939 /nfs/dbraw/zinc/30/79/39/868307939.db2.gz YBAPBHFJOBMQNT-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000479652233 868307948 /nfs/dbraw/zinc/30/79/48/868307948.db2.gz YBAPBHFJOBMQNT-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000479652233 868307955 /nfs/dbraw/zinc/30/79/55/868307955.db2.gz YBAPBHFJOBMQNT-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000121620366 882185480 /nfs/dbraw/zinc/18/54/80/882185480.db2.gz AIFHLWPKDVLWKO-QGZVFWFLSA-N 2 1 391.519 3.803 20 0 GHADMP CCN(Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000667549692 868463161 /nfs/dbraw/zinc/46/31/61/868463161.db2.gz TXZBHAWYVCCUKT-SIKLNZKXSA-N 2 1 375.520 3.925 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000457664314 868599232 /nfs/dbraw/zinc/59/92/32/868599232.db2.gz UQNFHVOEQQVIGD-YKSBVNFPSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000457664314 868599247 /nfs/dbraw/zinc/59/92/47/868599247.db2.gz UQNFHVOEQQVIGD-YKSBVNFPSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000457664314 868599256 /nfs/dbraw/zinc/59/92/56/868599256.db2.gz UQNFHVOEQQVIGD-YKSBVNFPSA-N 2 1 398.595 3.546 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000157532541 868679205 /nfs/dbraw/zinc/67/92/05/868679205.db2.gz DBAJELLXQQCYAB-IBGZPJMESA-N 2 1 397.567 3.559 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000157648341 868717072 /nfs/dbraw/zinc/71/70/72/868717072.db2.gz WAAXSZADPYYURI-MOPGFXCFSA-N 2 1 390.535 3.745 20 0 GHADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000524230735 868732910 /nfs/dbraw/zinc/73/29/10/868732910.db2.gz MXKBVYOMFSAPBD-INIZCTEOSA-N 2 1 381.911 3.906 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4nc(C)c[nH]4)cc3)CC2)CC1 ZINC000898386043 868784780 /nfs/dbraw/zinc/78/47/80/868784780.db2.gz VEDQCAAJUKILHK-UHFFFAOYSA-N 2 1 395.551 3.520 20 0 GHADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445812711 869016335 /nfs/dbraw/zinc/01/63/35/869016335.db2.gz ZKHMYQJYCKCUCI-AUUYWEPGSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445812711 869016348 /nfs/dbraw/zinc/01/63/48/869016348.db2.gz ZKHMYQJYCKCUCI-AUUYWEPGSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000445812711 869016359 /nfs/dbraw/zinc/01/63/59/869016359.db2.gz ZKHMYQJYCKCUCI-AUUYWEPGSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000445812711 869016371 /nfs/dbraw/zinc/01/63/71/869016371.db2.gz ZKHMYQJYCKCUCI-AUUYWEPGSA-N 2 1 397.332 3.916 20 0 GHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445818236 869023833 /nfs/dbraw/zinc/02/38/33/869023833.db2.gz KELXEYWZFIXCIJ-HNNXBMFYSA-N 2 1 385.321 3.631 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445818236 869023842 /nfs/dbraw/zinc/02/38/42/869023842.db2.gz KELXEYWZFIXCIJ-HNNXBMFYSA-N 2 1 385.321 3.631 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445818236 869023854 /nfs/dbraw/zinc/02/38/54/869023854.db2.gz KELXEYWZFIXCIJ-HNNXBMFYSA-N 2 1 385.321 3.631 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000445818236 869023859 /nfs/dbraw/zinc/02/38/59/869023859.db2.gz KELXEYWZFIXCIJ-HNNXBMFYSA-N 2 1 385.321 3.631 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000524422971 869049587 /nfs/dbraw/zinc/04/95/87/869049587.db2.gz QBKIHWQXNBPUTC-FQEVSTJZSA-N 2 1 383.511 3.781 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)n(C)n1 ZINC000793548783 882260150 /nfs/dbraw/zinc/26/01/50/882260150.db2.gz VLTVFWFUNXYWGW-NSHGMRRFSA-N 2 1 384.568 3.588 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000524857139 869656444 /nfs/dbraw/zinc/65/64/44/869656444.db2.gz TZHWFBPSWHNSPQ-LJQANCHMSA-N 2 1 390.572 3.662 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539898618 869986304 /nfs/dbraw/zinc/98/63/04/869986304.db2.gz YRNBEPILZWEMPU-GMKZXUHWSA-N 2 1 396.579 3.540 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539898618 869986311 /nfs/dbraw/zinc/98/63/11/869986311.db2.gz YRNBEPILZWEMPU-GMKZXUHWSA-N 2 1 396.579 3.540 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1)CC1CC1 ZINC000540005891 870172915 /nfs/dbraw/zinc/17/29/15/870172915.db2.gz DPAIKTOKVBTMFQ-FQEVSTJZSA-N 2 1 392.632 3.652 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1)CC1CC1 ZINC000540049056 870261821 /nfs/dbraw/zinc/26/18/21/870261821.db2.gz AUQRVRWUOMIHSC-UHFFFAOYSA-N 2 1 375.532 3.988 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000462883650 870295215 /nfs/dbraw/zinc/29/52/15/870295215.db2.gz LJEACMLRIBFDNK-HSZRJFAPSA-N 2 1 379.548 3.697 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000173934772 882396400 /nfs/dbraw/zinc/39/64/00/882396400.db2.gz RXMGABXDGLHQNO-LJQANCHMSA-N 2 1 396.535 3.501 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403651 870378290 /nfs/dbraw/zinc/37/82/90/870378290.db2.gz OWJPOCCFZWJGNQ-BHDDXSALSA-N 2 1 395.547 3.598 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)nc1 ZINC000248406039 870378907 /nfs/dbraw/zinc/37/89/07/870378907.db2.gz BOAPDGVLFDVEQB-QPTUXGOLSA-N 2 1 390.575 3.859 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@@H]1C ZINC000538720145 870416363 /nfs/dbraw/zinc/41/63/63/870416363.db2.gz JHAYZRLOXBMTKT-FXAWDEMLSA-N 2 1 398.551 3.553 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@@H]1C ZINC000538720145 870416373 /nfs/dbraw/zinc/41/63/73/870416373.db2.gz JHAYZRLOXBMTKT-FXAWDEMLSA-N 2 1 398.551 3.553 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@@H]1C ZINC000538720145 870416385 /nfs/dbraw/zinc/41/63/85/870416385.db2.gz JHAYZRLOXBMTKT-FXAWDEMLSA-N 2 1 398.551 3.553 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@@H]1C ZINC000538720145 870416418 /nfs/dbraw/zinc/41/64/18/870416418.db2.gz JHAYZRLOXBMTKT-FXAWDEMLSA-N 2 1 398.551 3.553 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccccc1 ZINC001192515709 870446647 /nfs/dbraw/zinc/44/66/47/870446647.db2.gz RFZDZDKUQHIUBV-AUSIDOKSSA-N 2 1 397.538 3.814 20 0 GHADMP Cc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c(C)c1 ZINC000538734711 870478816 /nfs/dbraw/zinc/47/88/16/870478816.db2.gz XSOFQBJRBNDENK-UHFFFAOYSA-N 2 1 393.575 3.764 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000462944739 870479514 /nfs/dbraw/zinc/47/95/14/870479514.db2.gz KKDBCDSOJGOGSS-QAPCUYQASA-N 2 1 378.451 3.776 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000538752643 870568426 /nfs/dbraw/zinc/56/84/26/870568426.db2.gz CBGYQCIVRMTGCQ-UHFFFAOYSA-N 2 1 384.568 3.956 20 0 GHADMP CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC001192698679 870605319 /nfs/dbraw/zinc/60/53/19/870605319.db2.gz IZXAVIOSHCBYNN-NRFANRHFSA-N 2 1 393.575 3.943 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1C(C)(C)C ZINC000248725081 870608658 /nfs/dbraw/zinc/60/86/58/870608658.db2.gz ULKONWKRQNWPHK-CVDCTZTESA-N 2 1 397.611 3.976 20 0 GHADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000446925965 870716613 /nfs/dbraw/zinc/71/66/13/870716613.db2.gz ULWJMUQTJUYHOW-MRXNPFEDSA-N 2 1 387.549 3.783 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000446925965 870716629 /nfs/dbraw/zinc/71/66/29/870716629.db2.gz ULWJMUQTJUYHOW-MRXNPFEDSA-N 2 1 387.549 3.783 20 0 GHADMP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000446925964 870716822 /nfs/dbraw/zinc/71/68/22/870716822.db2.gz ULWJMUQTJUYHOW-INIZCTEOSA-N 2 1 387.549 3.783 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)C1 ZINC000446925964 870716832 /nfs/dbraw/zinc/71/68/32/870716832.db2.gz ULWJMUQTJUYHOW-INIZCTEOSA-N 2 1 387.549 3.783 20 0 GHADMP CO[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@@H](OC)CC3)ccc2F)CC1 ZINC000649421973 870772210 /nfs/dbraw/zinc/77/22/10/870772210.db2.gz YNXVTFVXQGUAGM-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP CO[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@@H](OC)CC3)c2)CC1 ZINC000649421973 870772217 /nfs/dbraw/zinc/77/22/17/870772217.db2.gz YNXVTFVXQGUAGM-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP CO[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@@H](OC)CC3)c2)CC1 ZINC000649421973 870772221 /nfs/dbraw/zinc/77/22/21/870772221.db2.gz YNXVTFVXQGUAGM-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCS2 ZINC000249183691 870783115 /nfs/dbraw/zinc/78/31/15/870783115.db2.gz JPZQDYBYFLZYOS-DENIHFKCSA-N 2 1 398.572 3.979 20 0 GHADMP COc1ccc(OCCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463076306 870847211 /nfs/dbraw/zinc/84/72/11/870847211.db2.gz WMBNVMCGLZOZLI-UHFFFAOYSA-N 2 1 386.511 3.900 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCSc3ccccc3F)CC2)C[C@H](C)O1 ZINC000540246397 870851014 /nfs/dbraw/zinc/85/10/14/870851014.db2.gz HCGYHLLKNYJAHY-HDICACEKSA-N 2 1 396.572 3.508 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCSc3ccccc3F)CC2)C[C@H](C)O1 ZINC000540246397 870851034 /nfs/dbraw/zinc/85/10/34/870851034.db2.gz HCGYHLLKNYJAHY-HDICACEKSA-N 2 1 396.572 3.508 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022996 870851062 /nfs/dbraw/zinc/85/10/62/870851062.db2.gz YIEUNBCNRAANBX-ZEQRLZLVSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022996 870851081 /nfs/dbraw/zinc/85/10/81/870851081.db2.gz YIEUNBCNRAANBX-ZEQRLZLVSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022996 870851103 /nfs/dbraw/zinc/85/11/03/870851103.db2.gz YIEUNBCNRAANBX-ZEQRLZLVSA-N 2 1 391.559 3.599 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022996 870851117 /nfs/dbraw/zinc/85/11/17/870851117.db2.gz YIEUNBCNRAANBX-ZEQRLZLVSA-N 2 1 391.559 3.599 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1)CC1CC1 ZINC000538913651 870870400 /nfs/dbraw/zinc/87/04/00/870870400.db2.gz GJIDZIFNLHNTET-UHFFFAOYSA-N 2 1 392.632 3.839 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538914281 870871747 /nfs/dbraw/zinc/87/17/47/870871747.db2.gz ZMKFAVXKSYRHDW-FQEVSTJZSA-N 2 1 397.607 3.794 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538914281 870871763 /nfs/dbraw/zinc/87/17/63/870871763.db2.gz ZMKFAVXKSYRHDW-FQEVSTJZSA-N 2 1 397.607 3.794 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538914281 870871769 /nfs/dbraw/zinc/87/17/69/870871769.db2.gz ZMKFAVXKSYRHDW-FQEVSTJZSA-N 2 1 397.607 3.794 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC1)CC1CC1 ZINC000538915640 870873622 /nfs/dbraw/zinc/87/36/22/870873622.db2.gz SGEVVONOYVBVNE-QFIPXVFZSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1)CC1CC1 ZINC000538915640 870873631 /nfs/dbraw/zinc/87/36/31/870873631.db2.gz SGEVVONOYVBVNE-QFIPXVFZSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1)CC1CC1 ZINC000538915640 870873642 /nfs/dbraw/zinc/87/36/42/870873642.db2.gz SGEVVONOYVBVNE-QFIPXVFZSA-N 2 1 392.632 3.650 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC1)CC1CC1 ZINC000538915639 870873745 /nfs/dbraw/zinc/87/37/45/870873745.db2.gz SGEVVONOYVBVNE-JOCHJYFZSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1)CC1CC1 ZINC000538915639 870873756 /nfs/dbraw/zinc/87/37/56/870873756.db2.gz SGEVVONOYVBVNE-JOCHJYFZSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1)CC1CC1 ZINC000538915639 870873766 /nfs/dbraw/zinc/87/37/66/870873766.db2.gz SGEVVONOYVBVNE-JOCHJYFZSA-N 2 1 392.632 3.650 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC1)CC(C)C ZINC000540279887 870900098 /nfs/dbraw/zinc/90/00/98/870900098.db2.gz BQQFBAZHYPRVRB-JOCHJYFZSA-N 2 1 394.648 3.754 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1)CC(C)C ZINC000540279887 870900109 /nfs/dbraw/zinc/90/01/09/870900109.db2.gz BQQFBAZHYPRVRB-JOCHJYFZSA-N 2 1 394.648 3.754 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1)CC(C)C ZINC000540279887 870900113 /nfs/dbraw/zinc/90/01/13/870900113.db2.gz BQQFBAZHYPRVRB-JOCHJYFZSA-N 2 1 394.648 3.754 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1 ZINC000249796951 870911181 /nfs/dbraw/zinc/91/11/81/870911181.db2.gz APCZRBABVJCTPV-MOPGFXCFSA-N 2 1 389.584 3.705 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463145789 870973421 /nfs/dbraw/zinc/97/34/21/870973421.db2.gz YOQUFDIPPFVOQV-REWPJTCUSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463145789 870973428 /nfs/dbraw/zinc/97/34/28/870973428.db2.gz YOQUFDIPPFVOQV-REWPJTCUSA-N 2 1 378.564 3.689 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000461800026 870981760 /nfs/dbraw/zinc/98/17/60/870981760.db2.gz GSGCAIXCBBDAID-VWPQPMDRSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461800026 870981767 /nfs/dbraw/zinc/98/17/67/870981767.db2.gz GSGCAIXCBBDAID-VWPQPMDRSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461800026 870981775 /nfs/dbraw/zinc/98/17/75/870981775.db2.gz GSGCAIXCBBDAID-VWPQPMDRSA-N 2 1 388.600 3.801 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000447098450 871018123 /nfs/dbraw/zinc/01/81/23/871018123.db2.gz OPTWHMONINJULQ-UHFFFAOYSA-N 2 1 375.538 3.783 20 0 GHADMP COc1ccc(CN2CC[C@H]([N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)CC2=O)cc1 ZINC001168947697 871036186 /nfs/dbraw/zinc/03/61/86/871036186.db2.gz PJEKLAULYUOYQV-BDTNDASRSA-N 2 1 399.579 3.525 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccccc3Cl)CC1)C2 ZINC001169116967 871203992 /nfs/dbraw/zinc/20/39/92/871203992.db2.gz VALUYLJDMPYQHT-BGRQEXKUSA-N 2 1 375.944 3.596 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001169118598 871208740 /nfs/dbraw/zinc/20/87/40/871208740.db2.gz LJRZBFNECDETHJ-DHUDUYKCSA-N 2 1 375.944 3.596 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169119024 871210377 /nfs/dbraw/zinc/21/03/77/871210377.db2.gz OWGGJONVIZDNIF-REPLKXPHSA-N 2 1 395.469 3.525 20 0 GHADMP C[C@H](c1ccccc1)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000463217196 871213335 /nfs/dbraw/zinc/21/33/35/871213335.db2.gz BMRAEHQNQGSPBT-HXUWFJFHSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000463217196 871213354 /nfs/dbraw/zinc/21/33/54/871213354.db2.gz BMRAEHQNQGSPBT-HXUWFJFHSA-N 2 1 391.559 3.993 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC001193648670 871214939 /nfs/dbraw/zinc/21/49/39/871214939.db2.gz HSNUSUXUHLANCW-WIYYLYMNSA-N 2 1 390.568 3.869 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC001193648670 871214955 /nfs/dbraw/zinc/21/49/55/871214955.db2.gz HSNUSUXUHLANCW-WIYYLYMNSA-N 2 1 390.568 3.869 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1 ZINC000539045727 871218780 /nfs/dbraw/zinc/21/87/80/871218780.db2.gz FLJGSVCRBZJKNS-MBSDFSHPSA-N 2 1 383.536 3.616 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1 ZINC000539045727 871218798 /nfs/dbraw/zinc/21/87/98/871218798.db2.gz FLJGSVCRBZJKNS-MBSDFSHPSA-N 2 1 383.536 3.616 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131434 871220827 /nfs/dbraw/zinc/22/08/27/871220827.db2.gz URGAEQLQMJMKRA-AXVVYFOYSA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131434 871220843 /nfs/dbraw/zinc/22/08/43/871220843.db2.gz URGAEQLQMJMKRA-AXVVYFOYSA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131434 871220855 /nfs/dbraw/zinc/22/08/55/871220855.db2.gz URGAEQLQMJMKRA-AXVVYFOYSA-N 2 1 399.526 3.580 20 0 GHADMP CN(C)C(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463239483 871234758 /nfs/dbraw/zinc/23/47/58/871234758.db2.gz XLVXLGVEHAWSEV-UHFFFAOYSA-N 2 1 380.536 3.577 20 0 GHADMP CC[C@H](C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)[NH+](C)C ZINC000540421111 871237194 /nfs/dbraw/zinc/23/71/94/871237194.db2.gz FOYRQMKFQYHEPX-LEWJYISDSA-N 2 1 375.557 3.745 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(Cc3cccc(Br)c3)CCOCC1)C2 ZINC001169115588 871248200 /nfs/dbraw/zinc/24/82/00/871248200.db2.gz LDTSRSULRBGKAH-REPLKXPHSA-N 2 1 393.369 3.756 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169152607 871264285 /nfs/dbraw/zinc/26/42/85/871264285.db2.gz BYLPDNPARMYEGK-ACDBMABISA-N 2 1 377.573 3.866 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169152607 871264319 /nfs/dbraw/zinc/26/43/19/871264319.db2.gz BYLPDNPARMYEGK-ACDBMABISA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169152607 871264336 /nfs/dbraw/zinc/26/43/36/871264336.db2.gz BYLPDNPARMYEGK-ACDBMABISA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC001169152607 871264346 /nfs/dbraw/zinc/26/43/46/871264346.db2.gz BYLPDNPARMYEGK-ACDBMABISA-N 2 1 377.573 3.866 20 0 GHADMP C[C@H]1C[C@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463260314 871278293 /nfs/dbraw/zinc/27/82/93/871278293.db2.gz CEPIBEWWYCPMAJ-ZLGUVYLKSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CCN1Cc1ccccc1 ZINC000463260314 871278338 /nfs/dbraw/zinc/27/83/38/871278338.db2.gz CEPIBEWWYCPMAJ-ZLGUVYLKSA-N 2 1 385.939 3.899 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(-n3ccc([C@H](C)[NH3+])n3)c2c1C ZINC001169229995 871320138 /nfs/dbraw/zinc/32/01/38/871320138.db2.gz NKSRQXZVVBYLIX-AWEZNQCLSA-N 2 1 384.553 3.745 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000525779458 871423201 /nfs/dbraw/zinc/42/32/01/871423201.db2.gz OLJNELXZZVYNID-AEFFLSMTSA-N 2 1 385.474 3.747 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000462030443 871510178 /nfs/dbraw/zinc/51/01/78/871510178.db2.gz JFHNWCBYXAJVAO-HSZRJFAPSA-N 2 1 386.511 3.819 20 0 GHADMP Cc1ccc(N[C@H]2C[C@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC001169520607 871595490 /nfs/dbraw/zinc/59/54/90/871595490.db2.gz NJZOQSLNORIGFH-OFNKIYASSA-N 2 1 395.547 3.928 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540585956 871596300 /nfs/dbraw/zinc/59/63/00/871596300.db2.gz LIYUYAQGIKOABI-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001169539928 871617104 /nfs/dbraw/zinc/61/71/04/871617104.db2.gz KZNYRFQTRNWBFD-AVRDEDQJSA-N 2 1 390.531 3.931 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@H](Nc2ccc([C@@H]3CCC[NH2+]3)cc2)C1 ZINC001169517585 871624754 /nfs/dbraw/zinc/62/47/54/871624754.db2.gz GWPKIFNMWUMDRZ-AKIFATBCSA-N 2 1 393.531 3.982 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001194358301 871634895 /nfs/dbraw/zinc/63/48/95/871634895.db2.gz MMROVWMBOPHGTD-UHFFFAOYSA-N 2 1 387.612 3.851 20 0 GHADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000462116748 871645498 /nfs/dbraw/zinc/64/54/98/871645498.db2.gz QDLDFQPIIQSZHK-RPWUZVMVSA-N 2 1 393.575 3.803 20 0 GHADMP CC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001169589958 871649585 /nfs/dbraw/zinc/64/95/85/871649585.db2.gz WHCNBRWOVORNJD-ISJGIBHGSA-N 2 1 391.559 3.645 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@@H+](CC)Cc3ccccc3)CC2)CC1 ZINC001169703719 871787191 /nfs/dbraw/zinc/78/71/91/871787191.db2.gz PMSROYVUFOAZQR-OAQYLSRUSA-N 2 1 387.568 3.984 20 0 GHADMP O=C1OCCN1CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194942104 872048925 /nfs/dbraw/zinc/04/89/25/872048925.db2.gz LWTSMQACIBMYJC-JOCHJYFZSA-N 2 1 385.552 3.595 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CCC[NH+]3C3CCCC3)C2)s1 ZINC000552135701 872077973 /nfs/dbraw/zinc/07/79/73/872077973.db2.gz VYYAUMNMPBXSRI-GHTZIAJQSA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)s1 ZINC000552135701 872077997 /nfs/dbraw/zinc/07/79/97/872077997.db2.gz VYYAUMNMPBXSRI-GHTZIAJQSA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)s1 ZINC000552135701 872078019 /nfs/dbraw/zinc/07/80/19/872078019.db2.gz VYYAUMNMPBXSRI-GHTZIAJQSA-N 2 1 389.609 3.744 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C2)CC1 ZINC000447738797 872227805 /nfs/dbraw/zinc/22/78/05/872227805.db2.gz WIBSKULJLQOPOA-OAQYLSRUSA-N 2 1 383.511 3.830 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1OC ZINC000552238204 872287208 /nfs/dbraw/zinc/28/72/08/872287208.db2.gz VTHZYQIOXRGPFN-SFHVURJKSA-N 2 1 398.547 3.565 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000465563429 872443639 /nfs/dbraw/zinc/44/36/39/872443639.db2.gz GVHMIHSBQMMQIY-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000667288354 872445377 /nfs/dbraw/zinc/44/53/77/872445377.db2.gz IMOQBSCSMLJNFB-IBGZPJMESA-N 2 1 390.597 3.823 20 0 GHADMP Cc1ccc(CCC[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000552363031 872519959 /nfs/dbraw/zinc/51/99/59/872519959.db2.gz XPIMKDSWWXIRJJ-XMMPIXPASA-N 2 1 393.575 3.841 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000527087386 872587913 /nfs/dbraw/zinc/58/79/13/872587913.db2.gz OJJLUEZLDJJMFO-WOJBJXKFSA-N 2 1 386.584 3.909 20 0 GHADMP Cc1[nH+]ccn1CCCOC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000767633766 872699427 /nfs/dbraw/zinc/69/94/27/872699427.db2.gz OWGHIQZSJYQCEO-IBGZPJMESA-N 2 1 395.425 3.579 20 0 GHADMP Cc1[nH+]ccn1CCCOC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000767633766 872699431 /nfs/dbraw/zinc/69/94/31/872699431.db2.gz OWGHIQZSJYQCEO-IBGZPJMESA-N 2 1 395.425 3.579 20 0 GHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262251256 873077034 /nfs/dbraw/zinc/07/70/34/873077034.db2.gz QBZPQTJGFPYIJM-LBTNJELSSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262251256 873077050 /nfs/dbraw/zinc/07/70/50/873077050.db2.gz QBZPQTJGFPYIJM-LBTNJELSSA-N 2 1 384.351 3.635 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000768222178 873175217 /nfs/dbraw/zinc/17/52/17/873175217.db2.gz XGEXLQSFKXRGQB-RTBURBONSA-N 2 1 381.605 3.980 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501777 873341689 /nfs/dbraw/zinc/34/16/89/873341689.db2.gz WRENRCGKRFCHNM-NFBKMPQASA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501777 873341703 /nfs/dbraw/zinc/34/17/03/873341703.db2.gz WRENRCGKRFCHNM-NFBKMPQASA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501777 873341716 /nfs/dbraw/zinc/34/17/16/873341716.db2.gz WRENRCGKRFCHNM-NFBKMPQASA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501777 873341728 /nfs/dbraw/zinc/34/17/28/873341728.db2.gz WRENRCGKRFCHNM-NFBKMPQASA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495298 873353652 /nfs/dbraw/zinc/35/36/52/873353652.db2.gz PFIPGZMDTZXYSG-YADHBBJMSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC001197232902 873689080 /nfs/dbraw/zinc/68/90/80/873689080.db2.gz GKKMHWKGVFEKRN-UHFFFAOYSA-N 2 1 395.454 3.661 20 0 GHADMP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)N2CCOc3ccccc32)CC1 ZINC001197359307 873735442 /nfs/dbraw/zinc/73/54/42/873735442.db2.gz MWJBBAGMUZZUHR-UHFFFAOYSA-N 2 1 385.552 3.533 20 0 GHADMP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000527972940 873814309 /nfs/dbraw/zinc/81/43/09/873814309.db2.gz ZSBULAGXNZFLHE-NKKJXINNSA-N 2 1 393.575 3.770 20 0 GHADMP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000550882097 882763386 /nfs/dbraw/zinc/76/33/86/882763386.db2.gz IMEFQUYUSXIYKN-XZOQPEGZSA-N 2 1 386.580 3.710 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3Cc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882001 882763731 /nfs/dbraw/zinc/76/37/31/882763731.db2.gz HBKJVHJAHGVVFC-HSZRJFAPSA-N 2 1 376.544 3.672 20 0 GHADMP CCCCn1nc(C)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1Cl ZINC000769205085 873887953 /nfs/dbraw/zinc/88/79/53/873887953.db2.gz DDINPJZCHPLIMV-UHFFFAOYSA-N 2 1 382.980 3.579 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2=O)c1 ZINC000541599424 873917460 /nfs/dbraw/zinc/91/74/60/873917460.db2.gz LYIJYBGUBODDNV-WFXMLNOXSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)C2=O)c1 ZINC000541599424 873917461 /nfs/dbraw/zinc/91/74/61/873917461.db2.gz LYIJYBGUBODDNV-WFXMLNOXSA-N 2 1 387.543 3.872 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603563 873967253 /nfs/dbraw/zinc/96/72/53/873967253.db2.gz QRMLODSBBYHHEQ-CNNODRBYSA-N 2 1 388.596 3.966 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000528149921 874089715 /nfs/dbraw/zinc/08/97/15/874089715.db2.gz NWQPKJCICFGJJW-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528149921 874089732 /nfs/dbraw/zinc/08/97/32/874089732.db2.gz NWQPKJCICFGJJW-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528149921 874089746 /nfs/dbraw/zinc/08/97/46/874089746.db2.gz NWQPKJCICFGJJW-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192166940 882825692 /nfs/dbraw/zinc/82/56/92/882825692.db2.gz NMOXLSPCBKNQQJ-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP CC(C)[C@H](C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC000449078647 874462669 /nfs/dbraw/zinc/46/26/69/874462669.db2.gz MGXFJYYFHBMIDR-RXVVDRJESA-N 2 1 380.598 3.540 20 0 GHADMP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449127858 874511866 /nfs/dbraw/zinc/51/18/66/874511866.db2.gz YDIZFCAFOJCBQR-NRFANRHFSA-N 2 1 387.612 3.955 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000541915717 874518756 /nfs/dbraw/zinc/51/87/56/874518756.db2.gz XMAAOTPDCBCQRD-MSYCTHLASA-N 2 1 382.548 3.934 20 0 GHADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845311 874627426 /nfs/dbraw/zinc/62/74/26/874627426.db2.gz MPASOCLLMHOJSO-TZIWHRDSSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccc(Cl)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845311 874627432 /nfs/dbraw/zinc/62/74/32/874627432.db2.gz MPASOCLLMHOJSO-TZIWHRDSSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccc(Cl)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845311 874627442 /nfs/dbraw/zinc/62/74/42/874627442.db2.gz MPASOCLLMHOJSO-TZIWHRDSSA-N 2 1 388.939 3.534 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508879663 874665213 /nfs/dbraw/zinc/66/52/13/874665213.db2.gz JWVSMSKYDOMNJB-AJSBUHFISA-N 2 1 394.563 3.594 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc4cc(F)ccc4o3)CC2)CC1 ZINC000464879957 874674944 /nfs/dbraw/zinc/67/49/44/874674944.db2.gz RKADBUFAYVIAQM-UHFFFAOYSA-N 2 1 388.531 3.595 20 0 GHADMP COc1nccc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000449414161 874808006 /nfs/dbraw/zinc/80/80/06/874808006.db2.gz LJZIYYLNZFSRGC-OAQYLSRUSA-N 2 1 380.536 3.608 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)[C@H](C)[C@H]2c2ccccc2)CC1)CC1CC1 ZINC000770686659 874826406 /nfs/dbraw/zinc/82/64/06/874826406.db2.gz NWZAJRVMOGDRNG-XXBNENTESA-N 2 1 383.580 3.998 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC001199320046 874923617 /nfs/dbraw/zinc/92/36/17/874923617.db2.gz HDVZBAVNQOKQAE-CALCHBBNSA-N 2 1 391.560 3.671 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492505 874925057 /nfs/dbraw/zinc/92/50/57/874925057.db2.gz BYFYCJVBCYDNHU-ZKMPZPQNSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492505 874925064 /nfs/dbraw/zinc/92/50/64/874925064.db2.gz BYFYCJVBCYDNHU-ZKMPZPQNSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492505 874925075 /nfs/dbraw/zinc/92/50/75/874925075.db2.gz BYFYCJVBCYDNHU-ZKMPZPQNSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492505 874925085 /nfs/dbraw/zinc/92/50/85/874925085.db2.gz BYFYCJVBCYDNHU-ZKMPZPQNSA-N 2 1 397.607 3.763 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2c[nH+]ccc2N2CCCC2)CC1 ZINC001199369753 874949202 /nfs/dbraw/zinc/94/92/02/874949202.db2.gz UAEHQXIXVHBMPB-UHFFFAOYSA-N 2 1 396.510 3.558 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)c2c[nH+]ccc2N2CCCC2)CC1 ZINC001199369753 874949207 /nfs/dbraw/zinc/94/92/07/874949207.db2.gz UAEHQXIXVHBMPB-UHFFFAOYSA-N 2 1 396.510 3.558 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000449494563 874978060 /nfs/dbraw/zinc/97/80/60/874978060.db2.gz GVWBTUBIEFJWLI-DEOSSOPVSA-N 2 1 385.596 3.651 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000449494563 874978074 /nfs/dbraw/zinc/97/80/74/874978074.db2.gz GVWBTUBIEFJWLI-DEOSSOPVSA-N 2 1 385.596 3.651 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000449494563 874978087 /nfs/dbraw/zinc/97/80/87/874978087.db2.gz GVWBTUBIEFJWLI-DEOSSOPVSA-N 2 1 385.596 3.651 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000449494563 874978096 /nfs/dbraw/zinc/97/80/96/874978096.db2.gz GVWBTUBIEFJWLI-DEOSSOPVSA-N 2 1 385.596 3.651 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528883570 875211153 /nfs/dbraw/zinc/21/11/53/875211153.db2.gz VWBAMYIVVWNKJB-GQOXECLESA-N 2 1 377.960 3.541 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528883570 875211165 /nfs/dbraw/zinc/21/11/65/875211165.db2.gz VWBAMYIVVWNKJB-GQOXECLESA-N 2 1 377.960 3.541 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528883571 875211625 /nfs/dbraw/zinc/21/16/25/875211625.db2.gz VWBAMYIVVWNKJB-RRWXTXHCSA-N 2 1 377.960 3.541 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528883571 875211636 /nfs/dbraw/zinc/21/16/36/875211636.db2.gz VWBAMYIVVWNKJB-RRWXTXHCSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000475737201 882937637 /nfs/dbraw/zinc/93/76/37/882937637.db2.gz CWZPTUGOGYVLQH-HOTGVXAUSA-N 2 1 377.960 3.507 20 0 GHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)ncc1Br ZINC000623400016 875627820 /nfs/dbraw/zinc/62/78/20/875627820.db2.gz HAMAVMXFVGNMKJ-GOSISDBHSA-N 2 1 388.353 3.807 20 0 GHADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)ncc1Br ZINC000623400016 875627826 /nfs/dbraw/zinc/62/78/26/875627826.db2.gz HAMAVMXFVGNMKJ-GOSISDBHSA-N 2 1 388.353 3.807 20 0 GHADMP c1ccc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201409487 875688519 /nfs/dbraw/zinc/68/85/19/875688519.db2.gz VFTPTCHEHXPODT-RSEQLOHWSA-N 2 1 395.591 3.988 20 0 GHADMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201409487 875688527 /nfs/dbraw/zinc/68/85/27/875688527.db2.gz VFTPTCHEHXPODT-RSEQLOHWSA-N 2 1 395.591 3.988 20 0 GHADMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201409487 875688532 /nfs/dbraw/zinc/68/85/32/875688532.db2.gz VFTPTCHEHXPODT-RSEQLOHWSA-N 2 1 395.591 3.988 20 0 GHADMP COc1cccc2c1CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C2 ZINC001201625609 875800112 /nfs/dbraw/zinc/80/01/12/875800112.db2.gz CAPLWEXICCZZIH-PKTZIBPZSA-N 2 1 394.559 3.689 20 0 GHADMP C[C@@H]1CC[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000450061493 875882006 /nfs/dbraw/zinc/88/20/06/875882006.db2.gz QDMDAKJUWRKJGS-SBHAEUEKSA-N 2 1 377.617 3.713 20 0 GHADMP C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516624055 875963231 /nfs/dbraw/zinc/96/32/31/875963231.db2.gz FEKVEVQUDZYUAT-QGZVFWFLSA-N 2 1 396.535 3.537 20 0 GHADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Br)s1)CC1CC[NH+](C)CC1 ZINC000529530450 876267726 /nfs/dbraw/zinc/26/77/26/876267726.db2.gz PRFZICLEGXCVIP-UHFFFAOYSA-N 2 1 383.359 3.674 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000173564680 876476476 /nfs/dbraw/zinc/47/64/76/876476476.db2.gz JQWJTKMXRVFOGC-JOCHJYFZSA-N 2 1 386.584 3.688 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000173858432 876686787 /nfs/dbraw/zinc/68/67/87/876686787.db2.gz RULFNWRHYBPXBT-LJQANCHMSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000173858432 876686795 /nfs/dbraw/zinc/68/67/95/876686795.db2.gz RULFNWRHYBPXBT-LJQANCHMSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@@H](c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1)C(F)(F)F ZINC000450644683 876703565 /nfs/dbraw/zinc/70/35/65/876703565.db2.gz BVEZCSHILAQIOQ-IRXDYDNUSA-N 2 1 383.502 3.953 20 0 GHADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962868 876748256 /nfs/dbraw/zinc/74/82/56/876748256.db2.gz IPZHXMWWTKDIBE-KRWDZBQOSA-N 2 1 393.959 3.552 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000174389264 877000859 /nfs/dbraw/zinc/00/08/59/877000859.db2.gz LOOAOJYHISWWQM-UHFFFAOYSA-N 2 1 386.565 3.627 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000850562124 877027979 /nfs/dbraw/zinc/02/79/79/877027979.db2.gz QZMDNYGGIQPMCH-HWELCPFYSA-N 2 1 399.579 3.936 20 0 GHADMP C(=C/c1ccccc1)\CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450980262 877179404 /nfs/dbraw/zinc/17/94/04/877179404.db2.gz DYGTZERSZDDIGR-JEVDYFGZSA-N 2 1 375.560 3.982 20 0 GHADMP CC(C)[NH+](Cc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)ccc1F)[C@H]1CCOC1 ZINC000451046959 877276347 /nfs/dbraw/zinc/27/63/47/877276347.db2.gz AXCLKEGKBQYKQD-SFTDATJTSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)[NH+](Cc1ccc(F)c(C[N@H+](C(C)C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000451046959 877276357 /nfs/dbraw/zinc/27/63/57/877276357.db2.gz AXCLKEGKBQYKQD-SFTDATJTSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)[NH+](Cc1ccc(F)c(C[N@@H+](C(C)C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000451046959 877276368 /nfs/dbraw/zinc/27/63/68/877276368.db2.gz AXCLKEGKBQYKQD-SFTDATJTSA-N 2 1 378.532 3.824 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000136747281 877361772 /nfs/dbraw/zinc/36/17/72/877361772.db2.gz YAZZFNAIFAWDKE-PKTZIBPZSA-N 2 1 398.595 3.544 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996863 877428582 /nfs/dbraw/zinc/42/85/82/877428582.db2.gz JFMYZQUVGDFAIK-GFCCVEGCSA-N 2 1 375.257 3.815 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000642643412 912241663 /nfs/dbraw/zinc/24/16/63/912241663.db2.gz BXLHWZQETFYYBO-GOSISDBHSA-N 2 1 389.609 3.958 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000245421868 877849785 /nfs/dbraw/zinc/84/97/85/877849785.db2.gz IGIRHVHEDVTPRY-OFNKIYASSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000788246868 877949394 /nfs/dbraw/zinc/94/93/94/877949394.db2.gz GJIOIBVPPDWLBH-UMGGQSCQSA-N 2 1 375.557 3.583 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000788246868 877949402 /nfs/dbraw/zinc/94/94/02/877949402.db2.gz GJIOIBVPPDWLBH-UMGGQSCQSA-N 2 1 375.557 3.583 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000477661941 878006659 /nfs/dbraw/zinc/00/66/59/878006659.db2.gz FPVUHWSRPKSJQC-FQEVSTJZSA-N 2 1 377.960 3.639 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000477661941 878006680 /nfs/dbraw/zinc/00/66/80/878006680.db2.gz FPVUHWSRPKSJQC-FQEVSTJZSA-N 2 1 377.960 3.639 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000477661941 878006700 /nfs/dbraw/zinc/00/67/00/878006700.db2.gz FPVUHWSRPKSJQC-FQEVSTJZSA-N 2 1 377.960 3.639 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000477661941 878006722 /nfs/dbraw/zinc/00/67/22/878006722.db2.gz FPVUHWSRPKSJQC-FQEVSTJZSA-N 2 1 377.960 3.639 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc(C(F)(F)F)s1 ZINC000477730500 878084692 /nfs/dbraw/zinc/08/46/92/878084692.db2.gz KALBXKFYAYIACC-UHFFFAOYSA-N 2 1 390.519 3.794 20 0 GHADMP CC[C@H](c1ccc(F)cc1F)N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538661 878098730 /nfs/dbraw/zinc/09/87/30/878098730.db2.gz TWXCGDYHDCWGNL-PGRDOPGGSA-N 2 1 393.522 3.682 20 0 GHADMP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)ccc1F ZINC000530584767 878109297 /nfs/dbraw/zinc/10/92/97/878109297.db2.gz XMVVJVYMRPNKGA-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1F ZINC000788563837 878156304 /nfs/dbraw/zinc/15/63/04/878156304.db2.gz ODFXBUXAQHSDQL-AWEZNQCLSA-N 2 1 388.487 3.665 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000451575666 878182157 /nfs/dbraw/zinc/18/21/57/878182157.db2.gz YDYJAXLIBYNUNY-LJQANCHMSA-N 2 1 394.401 3.655 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000530664586 878258308 /nfs/dbraw/zinc/25/83/08/878258308.db2.gz GODRRCHMKGMYCD-INIZCTEOSA-N 2 1 388.508 3.972 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245644410 878270274 /nfs/dbraw/zinc/27/02/74/878270274.db2.gz YMCMBAAWRXJZOU-LSTHTHJFSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245644410 878270293 /nfs/dbraw/zinc/27/02/93/878270293.db2.gz YMCMBAAWRXJZOU-LSTHTHJFSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245644410 878270311 /nfs/dbraw/zinc/27/03/11/878270311.db2.gz YMCMBAAWRXJZOU-LSTHTHJFSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000245644410 878270328 /nfs/dbraw/zinc/27/03/28/878270328.db2.gz YMCMBAAWRXJZOU-LSTHTHJFSA-N 2 1 392.975 3.505 20 0 GHADMP COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000788756286 878291898 /nfs/dbraw/zinc/29/18/98/878291898.db2.gz VVHMNPIISOFBEW-UBHSMVFVSA-N 2 1 387.568 3.886 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1 ZINC000245670617 878334421 /nfs/dbraw/zinc/33/44/21/878334421.db2.gz HIDPNEOKRNFIFG-QQFNCUIESA-N 2 1 395.547 3.901 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000176670573 878345408 /nfs/dbraw/zinc/34/54/08/878345408.db2.gz CUESTKIXZVWAEH-UHFFFAOYSA-N 2 1 397.567 3.847 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537840790 878368739 /nfs/dbraw/zinc/36/87/39/878368739.db2.gz GDZFYHANNYHPQK-QHCPKHFHSA-N 2 1 397.563 3.677 20 0 GHADMP CC1CCC(N(C)C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000537843766 878375971 /nfs/dbraw/zinc/37/59/71/878375971.db2.gz VXVCPVLLIXRPAD-UHFFFAOYSA-N 2 1 386.584 3.657 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000530727906 878401645 /nfs/dbraw/zinc/40/16/45/878401645.db2.gz PLORRFZBKAEPQI-SIKLNZKXSA-N 2 1 392.547 3.558 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000537866077 878417564 /nfs/dbraw/zinc/41/75/64/878417564.db2.gz KNNOHVORSUUKBJ-UHFFFAOYSA-N 2 1 387.337 3.911 20 0 GHADMP CC1(C)C[C@H](O)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808394 878496791 /nfs/dbraw/zinc/49/67/91/878496791.db2.gz JSLUDWWPCHSRML-FGZHOGPDSA-N 2 1 388.596 3.652 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245878194 878688789 /nfs/dbraw/zinc/68/87/89/878688789.db2.gz MXDUZWIBXRVTEM-UXHICEINSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245878194 878688796 /nfs/dbraw/zinc/68/87/96/878688796.db2.gz MXDUZWIBXRVTEM-UXHICEINSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000245909723 878735775 /nfs/dbraw/zinc/73/57/75/878735775.db2.gz FRYSSTYVEPYPQQ-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000245909723 878735792 /nfs/dbraw/zinc/73/57/92/878735792.db2.gz FRYSSTYVEPYPQQ-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000245909723 878735811 /nfs/dbraw/zinc/73/58/11/878735811.db2.gz FRYSSTYVEPYPQQ-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000538045427 878755237 /nfs/dbraw/zinc/75/52/37/878755237.db2.gz LRZSUKDFIQGKNB-PMACEKPBSA-N 2 1 390.568 3.564 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000538046268 878758342 /nfs/dbraw/zinc/75/83/42/878758342.db2.gz UDHWNHIRSGROCF-PMACEKPBSA-N 2 1 382.548 3.930 20 0 GHADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)c(F)c1 ZINC000789357837 878845528 /nfs/dbraw/zinc/84/55/28/878845528.db2.gz PJMHXOUMXOYECE-IBGZPJMESA-N 2 1 377.891 3.925 20 0 GHADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241081 878924200 /nfs/dbraw/zinc/92/42/00/878924200.db2.gz UHMKZMZXXMZORA-QUCCMNQESA-N 2 1 397.563 3.553 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000531047568 879010123 /nfs/dbraw/zinc/01/01/23/879010123.db2.gz BCDADQZGRDFZIZ-QAPCUYQASA-N 2 1 385.474 3.546 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000531078044 879046287 /nfs/dbraw/zinc/04/62/87/879046287.db2.gz DQLIKBZHKZEOHK-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000152499600 879188488 /nfs/dbraw/zinc/18/84/88/879188488.db2.gz OSERGUJYCINABO-SIKLNZKXSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000152499600 879188494 /nfs/dbraw/zinc/18/84/94/879188494.db2.gz OSERGUJYCINABO-SIKLNZKXSA-N 2 1 387.568 3.886 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789770729 879287224 /nfs/dbraw/zinc/28/72/24/879287224.db2.gz RDNMZQVSODAJKA-QGZVFWFLSA-N 2 1 391.475 3.725 20 0 GHADMP Brc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)s1 ZINC000643061222 912441635 /nfs/dbraw/zinc/44/16/35/912441635.db2.gz REICZJSVGXXZNX-LBPRGKRZSA-N 2 1 397.342 3.525 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000643081358 912452042 /nfs/dbraw/zinc/45/20/42/912452042.db2.gz PRJWODNJOXRZNP-OXJNMPFZSA-N 2 1 393.503 3.807 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000247161181 879932716 /nfs/dbraw/zinc/93/27/16/879932716.db2.gz YYKWBRZBZAXDNM-MOPGFXCFSA-N 2 1 389.609 3.731 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000247161181 879932737 /nfs/dbraw/zinc/93/27/37/879932737.db2.gz YYKWBRZBZAXDNM-MOPGFXCFSA-N 2 1 389.609 3.731 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000247161181 879932754 /nfs/dbraw/zinc/93/27/54/879932754.db2.gz YYKWBRZBZAXDNM-MOPGFXCFSA-N 2 1 389.609 3.731 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)CCCO2 ZINC000247233351 879949229 /nfs/dbraw/zinc/94/92/29/879949229.db2.gz YKAKLBUYHMUEIV-MBSDFSHPSA-N 2 1 396.531 3.919 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)CCCO2 ZINC000247233351 879949238 /nfs/dbraw/zinc/94/92/38/879949238.db2.gz YKAKLBUYHMUEIV-MBSDFSHPSA-N 2 1 396.531 3.919 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1OC ZINC000247937623 880089317 /nfs/dbraw/zinc/08/93/17/880089317.db2.gz CRBPEUAUQQRCFR-IRLDBZIGSA-N 2 1 395.547 3.633 20 0 GHADMP Fc1cccc(-c2ccc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)o2)c1F ZINC000790961417 880103462 /nfs/dbraw/zinc/10/34/62/880103462.db2.gz AFLXQNOAYPLZFU-KRWDZBQOSA-N 2 1 376.447 3.958 20 0 GHADMP Cc1cnc2c(N(CC[NH3+])c3ccc4[nH]c[nH+]c4c3C)nc3ccc(C)cc3n12 ZINC001170149478 880225308 /nfs/dbraw/zinc/22/53/08/880225308.db2.gz OTVDCFBDHMZGSF-UHFFFAOYSA-N 2 1 385.475 3.781 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677550 880305352 /nfs/dbraw/zinc/30/53/52/880305352.db2.gz FZTBEYUNDHKZEN-LQWHRVPQSA-N 2 1 387.593 3.827 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000531677080 880307402 /nfs/dbraw/zinc/30/74/02/880307402.db2.gz DCONADCYVJCJPM-QZTJIDSGSA-N 2 1 379.976 3.931 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000184503493 880320332 /nfs/dbraw/zinc/32/03/32/880320332.db2.gz GFIQUGCAFIDZSZ-HSZRJFAPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000184742751 880371645 /nfs/dbraw/zinc/37/16/45/880371645.db2.gz FGDQRWGIFNNXMK-RTBURBONSA-N 2 1 397.538 3.530 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ncc(-c2ccccc2)n1C ZINC000453072935 880396802 /nfs/dbraw/zinc/39/68/02/880396802.db2.gz ZFLKKCOZVYMXPK-SFHVURJKSA-N 2 1 378.520 3.878 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(I)c1 ZINC000453077761 880430022 /nfs/dbraw/zinc/43/00/22/880430022.db2.gz KBDZDIYGIMYWBZ-RYUDHWBXSA-N 2 1 388.268 3.565 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1)N1CCCC1 ZINC000453207700 880619399 /nfs/dbraw/zinc/61/93/99/880619399.db2.gz GPYWKVJMVJPCDV-OYTPZHDJSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453333459 880800447 /nfs/dbraw/zinc/80/04/47/880800447.db2.gz GWKZCZICURBRFY-ZNEWLNCYSA-N 2 1 391.559 3.519 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453333459 880800457 /nfs/dbraw/zinc/80/04/57/880800457.db2.gz GWKZCZICURBRFY-ZNEWLNCYSA-N 2 1 391.559 3.519 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000531948441 880807393 /nfs/dbraw/zinc/80/73/93/880807393.db2.gz GVEWQZZNQFFBHD-GGAORHGYSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000531948441 880807403 /nfs/dbraw/zinc/80/74/03/880807403.db2.gz GVEWQZZNQFFBHD-GGAORHGYSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000453387753 880842312 /nfs/dbraw/zinc/84/23/12/880842312.db2.gz WDELCRQKDPJGJN-ZADIZFFCSA-N 2 1 396.579 3.880 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000453387753 880842325 /nfs/dbraw/zinc/84/23/25/880842325.db2.gz WDELCRQKDPJGJN-ZADIZFFCSA-N 2 1 396.579 3.880 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429529836 880968658 /nfs/dbraw/zinc/96/86/58/880968658.db2.gz SOQUTQHWDRWDLG-HSZRJFAPSA-N 2 1 397.538 3.642 20 0 GHADMP COc1ccc2nc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)sc2c1 ZINC000186928319 881026610 /nfs/dbraw/zinc/02/66/10/881026610.db2.gz PISKYVBUQJBMIG-HZPDHXFCSA-N 2 1 389.565 3.626 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000187012743 881048843 /nfs/dbraw/zinc/04/88/43/881048843.db2.gz CJGSNHRKWCYREQ-AOIWGVFYSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000187012743 881048859 /nfs/dbraw/zinc/04/88/59/881048859.db2.gz CJGSNHRKWCYREQ-AOIWGVFYSA-N 2 1 395.975 3.702 20 0 GHADMP CN(CC[N@@H+](C)Cc1c(-c2ccccc2)nc2sccn12)C1CC[NH+](C)CC1 ZINC000919896672 881102728 /nfs/dbraw/zinc/10/27/28/881102728.db2.gz IUXFUMPSHUPRLO-UHFFFAOYSA-N 2 1 397.592 3.521 20 0 GHADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(C(=O)OC)cc1 ZINC000551064251 883215343 /nfs/dbraw/zinc/21/53/43/883215343.db2.gz SQKNRSCKQKDGGU-HXUWFJFHSA-N 2 1 382.508 3.590 20 0 GHADMP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643465018 912712704 /nfs/dbraw/zinc/71/27/04/912712704.db2.gz DFCKXIODTYMVOW-NVVBAYIOSA-N 2 1 376.504 3.963 20 0 GHADMP Cc1ccsc1CNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476971127 883503643 /nfs/dbraw/zinc/50/36/43/883503643.db2.gz JEMBYCMZPSQEFX-SFHVURJKSA-N 2 1 377.598 3.649 20 0 GHADMP Cc1ccsc1CNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476971127 883503654 /nfs/dbraw/zinc/50/36/54/883503654.db2.gz JEMBYCMZPSQEFX-SFHVURJKSA-N 2 1 377.598 3.649 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(OC(F)F)c2)[C@H](c2ccccc2)C1 ZINC000551221381 883514401 /nfs/dbraw/zinc/51/44/01/883514401.db2.gz VXEREEHGNNAODF-NRFANRHFSA-N 2 1 389.490 3.756 20 0 GHADMP CC[C@@H]1CC([NH2+]C2CC[NH+](CCOC)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170474660 883569386 /nfs/dbraw/zinc/56/93/86/883569386.db2.gz JBAVONHIYDREFO-WOJBJXKFSA-N 2 1 397.604 3.644 20 0 GHADMP CCN(C(=O)NCCCCn1cc[nH+]c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000136016728 883619523 /nfs/dbraw/zinc/61/95/23/883619523.db2.gz IPXAMJTZOREDET-SIKLNZKXSA-N 2 1 397.567 3.839 20 0 GHADMP CCN(C(=O)NCCCCn1cc[nH+]c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000136016728 883619530 /nfs/dbraw/zinc/61/95/30/883619530.db2.gz IPXAMJTZOREDET-SIKLNZKXSA-N 2 1 397.567 3.839 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000186463596 883648362 /nfs/dbraw/zinc/64/83/62/883648362.db2.gz RFRKKYWVEGQKMI-CLCXKQKWSA-N 2 1 397.485 3.628 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215046 883668680 /nfs/dbraw/zinc/66/86/80/883668680.db2.gz VAWLQAMXKUVUKG-UHFFFAOYSA-N 2 1 394.563 3.727 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215046 883668687 /nfs/dbraw/zinc/66/86/87/883668687.db2.gz VAWLQAMXKUVUKG-UHFFFAOYSA-N 2 1 394.563 3.727 20 0 GHADMP CCC[N@H+](C[C@H](O)CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542508833 883897371 /nfs/dbraw/zinc/89/73/71/883897371.db2.gz VLOLALPNHWIGRI-HSZRJFAPSA-N 2 1 396.579 3.768 20 0 GHADMP CCC[N@@H+](C[C@H](O)CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542508833 883897375 /nfs/dbraw/zinc/89/73/75/883897375.db2.gz VLOLALPNHWIGRI-HSZRJFAPSA-N 2 1 396.579 3.768 20 0 GHADMP COc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)ccc1OCc1ccncc1 ZINC000127852697 884046669 /nfs/dbraw/zinc/04/66/69/884046669.db2.gz VUYFCZXDPXMTJB-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000130092120 884163534 /nfs/dbraw/zinc/16/35/34/884163534.db2.gz OGUWVSDLZQCOPS-LJQANCHMSA-N 2 1 380.536 3.874 20 0 GHADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233119 884178215 /nfs/dbraw/zinc/17/82/15/884178215.db2.gz MRZUESYAXJMUGK-FVTFTPSCSA-N 2 1 386.580 3.564 20 0 GHADMP O=C(OC[C@@H]1CCC[N@H+]1Cc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805903267 884188444 /nfs/dbraw/zinc/18/84/44/884188444.db2.gz VUYFLLDRARTESE-NRFANRHFSA-N 2 1 382.504 3.699 20 0 GHADMP C(=C/C[N@H+]1CC[C@@H](Nc2ccccc2)C1)\C[NH+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845834 884498561 /nfs/dbraw/zinc/49/85/61/884498561.db2.gz MAXZKEJYTPMFJS-QQDBUXDWSA-N 2 1 376.548 3.915 20 0 GHADMP C(=C/C[N@@H+]1CC[C@H](Nc2ccccc2)C1)\C[NH+]1CC[C@@H](Nc2ccccc2)C1 ZINC000102845834 884498569 /nfs/dbraw/zinc/49/85/69/884498569.db2.gz MAXZKEJYTPMFJS-QQDBUXDWSA-N 2 1 376.548 3.915 20 0 GHADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000130376568 884610194 /nfs/dbraw/zinc/61/01/94/884610194.db2.gz OBYTVPCOFMVPPG-LJQANCHMSA-N 2 1 390.531 3.808 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000130376568 884610199 /nfs/dbraw/zinc/61/01/99/884610199.db2.gz OBYTVPCOFMVPPG-LJQANCHMSA-N 2 1 390.531 3.808 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000648749008 884695676 /nfs/dbraw/zinc/69/56/76/884695676.db2.gz GLKMOMOORPGJHM-SFHVURJKSA-N 2 1 395.551 3.567 20 0 GHADMP c1ccc(CN2CCSC[C@@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000428553656 884890060 /nfs/dbraw/zinc/89/00/60/884890060.db2.gz YGBGBLHHUHXAKA-DEOSSOPVSA-N 2 1 395.616 3.858 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001183887281 912874125 /nfs/dbraw/zinc/87/41/25/912874125.db2.gz YITXJRZIEWGBJF-RTWAWAEBSA-N 2 1 399.579 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001183887281 912874143 /nfs/dbraw/zinc/87/41/43/912874143.db2.gz YITXJRZIEWGBJF-RTWAWAEBSA-N 2 1 399.579 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001183887281 912874158 /nfs/dbraw/zinc/87/41/58/912874158.db2.gz YITXJRZIEWGBJF-RTWAWAEBSA-N 2 1 399.579 3.745 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000045191429 885106338 /nfs/dbraw/zinc/10/63/38/885106338.db2.gz HGFIKNWJFJEJTR-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000303045768 885438124 /nfs/dbraw/zinc/43/81/24/885438124.db2.gz UKXUEAJSHXGLSZ-MQSCRBSSSA-N 2 1 385.596 3.773 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000303059078 885441402 /nfs/dbraw/zinc/44/14/02/885441402.db2.gz ZXBFNSAXPRWQGX-UXHICEINSA-N 2 1 383.561 3.666 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000532442381 885451248 /nfs/dbraw/zinc/45/12/48/885451248.db2.gz ZPXQLSPEBJERSS-WBVHZDCISA-N 2 1 395.519 3.989 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CCCO2 ZINC000532442110 885455571 /nfs/dbraw/zinc/45/55/71/885455571.db2.gz LFSZWLFNMVHCEZ-UXHICEINSA-N 2 1 385.577 3.849 20 0 GHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000550621467 885516292 /nfs/dbraw/zinc/51/62/92/885516292.db2.gz MFCFYJYUEIUZMY-NMVJMZGASA-N 2 1 392.591 3.622 20 0 GHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000550621467 885516305 /nfs/dbraw/zinc/51/63/05/885516305.db2.gz MFCFYJYUEIUZMY-NMVJMZGASA-N 2 1 392.591 3.622 20 0 GHADMP Cc1csc(N2CCC([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000495374622 885565263 /nfs/dbraw/zinc/56/52/63/885565263.db2.gz RVYPUJWVUYEBBS-ICSRJNTNSA-N 2 1 384.593 3.921 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H]1c1ccccc1 ZINC000550643631 885690331 /nfs/dbraw/zinc/69/03/31/885690331.db2.gz AHYJSXCGZWJQGE-UKILVPOCSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H]1c1ccccc1 ZINC000550643631 885690338 /nfs/dbraw/zinc/69/03/38/885690338.db2.gz AHYJSXCGZWJQGE-UKILVPOCSA-N 3 1 393.575 3.568 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000498834826 885890504 /nfs/dbraw/zinc/89/05/04/885890504.db2.gz OKFGAECFKHPLJM-FQEVSTJZSA-N 2 1 397.563 3.507 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000532538415 885936532 /nfs/dbraw/zinc/93/65/32/885936532.db2.gz UUBHSDAVLDUJDV-IEBWSBKVSA-N 2 1 377.598 3.852 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795937611 913021005 /nfs/dbraw/zinc/02/10/05/913021005.db2.gz ISXQNRJPJIKCFR-UHFFFAOYSA-N 2 1 384.520 3.935 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3ccsc3)cc2)CC1 ZINC000915363681 886439570 /nfs/dbraw/zinc/43/95/70/886439570.db2.gz BHDSGCWKTZGRRU-NRFANRHFSA-N 2 1 398.576 3.666 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3ccsc3)cc2)CC1 ZINC000915363681 886439579 /nfs/dbraw/zinc/43/95/79/886439579.db2.gz BHDSGCWKTZGRRU-NRFANRHFSA-N 2 1 398.576 3.666 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000556886537 886459033 /nfs/dbraw/zinc/45/90/33/886459033.db2.gz LTLJYEVUCRKCGB-UHFFFAOYSA-N 2 1 398.572 3.549 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000532622592 886543403 /nfs/dbraw/zinc/54/34/03/886543403.db2.gz RJOGGXOJRQIEPI-UHFFFAOYSA-N 2 1 382.430 3.706 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000532622592 886543415 /nfs/dbraw/zinc/54/34/15/886543415.db2.gz RJOGGXOJRQIEPI-UHFFFAOYSA-N 2 1 382.430 3.706 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000537620001 886761436 /nfs/dbraw/zinc/76/14/36/886761436.db2.gz MNLORJSLISESIH-UHFFFAOYSA-N 2 1 383.502 3.732 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000236864346 886892397 /nfs/dbraw/zinc/89/23/97/886892397.db2.gz HFBOGAWTZJZFSN-LPHOPBHVSA-N 2 1 383.374 3.984 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccccc1)C1CCCCC1 ZINC000237151801 886915253 /nfs/dbraw/zinc/91/52/53/886915253.db2.gz FRVJGECDQBCWCY-QHCPKHFHSA-N 2 1 379.548 3.810 20 0 GHADMP c1csc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000863654747 887264411 /nfs/dbraw/zinc/26/44/11/887264411.db2.gz MPNDXGJBPDOAME-QYZOEREBSA-N 2 1 394.544 3.981 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)c3ccc(C)cc3)cc2)CC1 ZINC000915688817 887307193 /nfs/dbraw/zinc/30/71/93/887307193.db2.gz DFMPYOATGSHFLM-FQEVSTJZSA-N 2 1 394.563 3.768 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)s1 ZINC000809573496 887550594 /nfs/dbraw/zinc/55/05/94/887550594.db2.gz NMZYUKSYKURKPA-JOCHJYFZSA-N 2 1 384.593 3.693 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)s1 ZINC000809573496 887550597 /nfs/dbraw/zinc/55/05/97/887550597.db2.gz NMZYUKSYKURKPA-JOCHJYFZSA-N 2 1 384.593 3.693 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2C1 ZINC000865416826 888334997 /nfs/dbraw/zinc/33/49/97/888334997.db2.gz NNMIECOKSFVYNX-IRXDYDNUSA-N 2 1 391.581 3.758 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2C1 ZINC000865416826 888335006 /nfs/dbraw/zinc/33/50/06/888335006.db2.gz NNMIECOKSFVYNX-IRXDYDNUSA-N 2 1 391.581 3.758 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000120579232 888376444 /nfs/dbraw/zinc/37/64/44/888376444.db2.gz LJIHVPZREGRDIN-OALUTQOASA-N 2 1 398.547 3.924 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc(Br)c1O ZINC000459376844 888409109 /nfs/dbraw/zinc/40/91/09/888409109.db2.gz NVHWURJYNPTBNE-UKRRQHHQSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc(Br)c1O ZINC000459376844 888409111 /nfs/dbraw/zinc/40/91/11/888409111.db2.gz NVHWURJYNPTBNE-UKRRQHHQSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc(Br)c1O ZINC000459376844 888409117 /nfs/dbraw/zinc/40/91/17/888409117.db2.gz NVHWURJYNPTBNE-UKRRQHHQSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc(Br)c1O ZINC000459376844 888409122 /nfs/dbraw/zinc/40/91/22/888409122.db2.gz NVHWURJYNPTBNE-UKRRQHHQSA-N 2 1 385.346 3.858 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)cc21 ZINC000865525800 888410393 /nfs/dbraw/zinc/41/03/93/888410393.db2.gz GMUBQHKOJRXKDB-IOMROCGXSA-N 2 1 377.488 3.924 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc21 ZINC000865525800 888410401 /nfs/dbraw/zinc/41/04/01/888410401.db2.gz GMUBQHKOJRXKDB-IOMROCGXSA-N 2 1 377.488 3.924 20 0 GHADMP O=C(c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)N1CCCC1 ZINC000865547504 888432710 /nfs/dbraw/zinc/43/27/10/888432710.db2.gz DKGUHTHTLMKYJW-QFIPXVFZSA-N 2 1 377.532 3.534 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3OC(F)(F)F)cc2)C1 ZINC000865624163 888484231 /nfs/dbraw/zinc/48/42/31/888484231.db2.gz VLRWCFWXIPIDKT-KRWDZBQOSA-N 2 1 398.400 3.581 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866306729 888822939 /nfs/dbraw/zinc/82/29/39/888822939.db2.gz LYEPJYADHYCTFW-JQFCIGGWSA-N 2 1 377.916 3.900 20 0 GHADMP C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000916454276 889017688 /nfs/dbraw/zinc/01/76/88/889017688.db2.gz CIVCWCOLRTZCBG-UHFFFAOYSA-N 2 1 392.547 3.677 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000287385509 913304585 /nfs/dbraw/zinc/30/45/85/913304585.db2.gz ILUUMLWLJOSICI-NAVOZUGXSA-N 2 1 383.580 3.525 20 0 GHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000644554421 913361636 /nfs/dbraw/zinc/36/16/36/913361636.db2.gz PMOVOQDREBYVEO-CENDIDJXSA-N 2 1 382.470 3.723 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2c(c1)OCO2 ZINC000124576686 889681132 /nfs/dbraw/zinc/68/11/32/889681132.db2.gz FWMQCRJKPKMIFH-KSZLIROESA-N 2 1 382.504 3.875 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000533143260 889880020 /nfs/dbraw/zinc/88/00/20/889880020.db2.gz YDSYFGLFABCIFB-UHFFFAOYSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125355760 889965592 /nfs/dbraw/zinc/96/55/92/889965592.db2.gz HLKZMNKNFQKMDW-QINHECLXSA-N 2 1 383.502 3.988 20 0 GHADMP CC1(C)C(=O)N(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[C@@H]1C1CC1 ZINC000811762403 889971225 /nfs/dbraw/zinc/97/12/25/889971225.db2.gz YQDKJZCUXILRJX-OAQYLSRUSA-N 2 1 381.564 3.579 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000125542498 890031215 /nfs/dbraw/zinc/03/12/15/890031215.db2.gz MIHGIFSFSNJVFU-UHFFFAOYSA-N 2 1 391.357 3.552 20 0 GHADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533290874 890203955 /nfs/dbraw/zinc/20/39/55/890203955.db2.gz UTPRCXQVOKJJQI-LMNJBCLMSA-N 2 1 387.593 3.827 20 0 GHADMP C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000533430292 890543994 /nfs/dbraw/zinc/54/39/94/890543994.db2.gz CJSXJPBQCHODTR-ROUUACIJSA-N 2 1 375.582 3.684 20 0 GHADMP C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000533431957 890550683 /nfs/dbraw/zinc/55/06/83/890550683.db2.gz RYBJFUXCLPWIJG-HXUWFJFHSA-N 2 1 379.548 3.556 20 0 GHADMP C[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000533431957 890550697 /nfs/dbraw/zinc/55/06/97/890550697.db2.gz RYBJFUXCLPWIJG-HXUWFJFHSA-N 2 1 379.548 3.556 20 0 GHADMP C[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533431957 890550704 /nfs/dbraw/zinc/55/07/04/890550704.db2.gz RYBJFUXCLPWIJG-HXUWFJFHSA-N 2 1 379.548 3.556 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000520798602 890623634 /nfs/dbraw/zinc/62/36/34/890623634.db2.gz YGXOOJZNGXTRNJ-GCJKJVERSA-N 2 1 386.511 3.518 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000455450932 890944076 /nfs/dbraw/zinc/94/40/76/890944076.db2.gz YQLYPIKOZQCODE-SRTDZIGRSA-N 2 1 398.595 3.589 20 0 GHADMP Brc1cccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@H]2CCOC2)c1 ZINC000872019868 891117877 /nfs/dbraw/zinc/11/78/77/891117877.db2.gz ATMCQANLJDKVFH-ALKREAHSSA-N 2 1 379.342 3.601 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2ccccc2)CC1 ZINC000497370356 891294641 /nfs/dbraw/zinc/29/46/41/891294641.db2.gz NTYICSXKLZJSLA-RJGXRXQPSA-N 2 1 398.595 3.585 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2ccccc2)CC1 ZINC000497370357 891295465 /nfs/dbraw/zinc/29/54/65/891295465.db2.gz NTYICSXKLZJSLA-XPWALMASSA-N 2 1 398.595 3.585 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)[nH+]1 ZINC000128124490 891430635 /nfs/dbraw/zinc/43/06/35/891430635.db2.gz ASPYZIQOLCCHRK-LJQANCHMSA-N 3 1 382.552 3.650 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001137068477 891473427 /nfs/dbraw/zinc/47/34/27/891473427.db2.gz GDEPAFUKHCVROH-RXVVDRJESA-N 2 1 381.520 3.516 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000497557691 891859214 /nfs/dbraw/zinc/85/92/14/891859214.db2.gz DJIIKLGMOMEALN-XXBNENTESA-N 2 1 398.595 3.603 20 0 GHADMP CCOC(=O)N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000813790585 891978325 /nfs/dbraw/zinc/97/83/25/891978325.db2.gz RSOLEJFAKJTQFT-FRIKZZABSA-N 2 1 385.552 3.783 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCSCCOc2cccc(Br)c2)CC[N@H+]1C ZINC000162155344 892076427 /nfs/dbraw/zinc/07/64/27/892076427.db2.gz QXHSEAVUDQRRQQ-HOCLYGCPSA-N 2 1 387.387 3.633 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262289808 892256441 /nfs/dbraw/zinc/25/64/41/892256441.db2.gz MUYFRMAEUAAFHE-OMTPKSFGSA-N 2 1 383.580 3.831 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508693305 892649038 /nfs/dbraw/zinc/64/90/38/892649038.db2.gz AVDIAIKTORGGKI-JQVVWYNYSA-N 2 1 375.520 3.829 20 0 GHADMP C[N@@H+](CCCCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CC1 ZINC000455612298 892720551 /nfs/dbraw/zinc/72/05/51/892720551.db2.gz MKIAVPKPYVQVON-FQEVSTJZSA-N 2 1 392.975 3.651 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccn(C3CCCC3)n2)CC1 ZINC000128993996 892833820 /nfs/dbraw/zinc/83/38/20/892833820.db2.gz PZACEGPLTLSNRX-UHFFFAOYSA-N 2 1 381.568 3.820 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508721474 892966854 /nfs/dbraw/zinc/96/68/54/892966854.db2.gz UZMBBUCFELNATR-AZUAARDMSA-N 2 1 398.547 3.755 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000876908918 893383114 /nfs/dbraw/zinc/38/31/14/893383114.db2.gz SHROOJPOABFGRP-KPFFTGBYSA-N 2 1 377.573 3.771 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000563130747 893390996 /nfs/dbraw/zinc/39/09/96/893390996.db2.gz UBIAUINOLJIZJQ-CZUORRHYSA-N 2 1 391.357 3.811 20 0 GHADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000170702360 893394259 /nfs/dbraw/zinc/39/42/59/893394259.db2.gz OFDSMHBCNDKYSP-OAQYLSRUSA-N 2 1 395.547 3.615 20 0 GHADMP CCOc1cc(C[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)ccc1O ZINC000459404510 893436652 /nfs/dbraw/zinc/43/66/52/893436652.db2.gz CVAXLEXUHNIHIW-UHFFFAOYSA-N 2 1 389.565 3.812 20 0 GHADMP CC1(c2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2)OCCO1 ZINC001202546233 893580367 /nfs/dbraw/zinc/58/03/67/893580367.db2.gz MPFGHRZJCUHSNH-UHFFFAOYSA-N 2 1 380.532 3.703 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)C1 ZINC000815202733 893597636 /nfs/dbraw/zinc/59/76/36/893597636.db2.gz YZEROCISUWLRBL-WOJBJXKFSA-N 2 1 379.589 3.974 20 0 GHADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)CC2)c1 ZINC000536730536 893637700 /nfs/dbraw/zinc/63/77/00/893637700.db2.gz PQLCPGZQWWJOND-NFBKMPQASA-N 2 1 384.564 3.941 20 0 GHADMP COCc1cccc(OCC2(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)CC2)c1 ZINC000536730536 893637708 /nfs/dbraw/zinc/63/77/08/893637708.db2.gz PQLCPGZQWWJOND-NFBKMPQASA-N 2 1 384.564 3.941 20 0 GHADMP COCc1cccc(OCC2(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)CC2)c1 ZINC000536730536 893637715 /nfs/dbraw/zinc/63/77/15/893637715.db2.gz PQLCPGZQWWJOND-NFBKMPQASA-N 2 1 384.564 3.941 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639947 /nfs/dbraw/zinc/63/99/47/893639947.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639951 /nfs/dbraw/zinc/63/99/51/893639951.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639954 /nfs/dbraw/zinc/63/99/54/893639954.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 2 1 377.576 3.976 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639956 /nfs/dbraw/zinc/63/99/56/893639956.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 2 1 377.576 3.976 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000556075990 893639960 /nfs/dbraw/zinc/63/99/60/893639960.db2.gz GYJJCDMFPHSMJB-VJTSUQJLSA-N 2 1 377.576 3.976 20 0 GHADMP COc1ccccc1O[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000129587416 893681594 /nfs/dbraw/zinc/68/15/94/893681594.db2.gz QHAIPHWHSCPPBX-SFHVURJKSA-N 2 1 386.511 3.898 20 0 GHADMP CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)CCC(F)(F)F ZINC000455836007 893730256 /nfs/dbraw/zinc/73/02/56/893730256.db2.gz AOVSCPOFTLDXLZ-QGZVFWFLSA-N 2 1 386.462 3.631 20 0 GHADMP Nc1nc(CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc2sc3c(c21)CCCC3 ZINC000536755796 893744455 /nfs/dbraw/zinc/74/44/55/893744455.db2.gz JVFFRRUDZBYKMY-MRXNPFEDSA-N 2 1 399.608 3.645 20 0 GHADMP Nc1nc(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)nc2sc3c(c21)CCCC3 ZINC000536755796 893744459 /nfs/dbraw/zinc/74/44/59/893744459.db2.gz JVFFRRUDZBYKMY-MRXNPFEDSA-N 2 1 399.608 3.645 20 0 GHADMP Cc1ccc(-c2ncc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)s2)cc1C ZINC000877746472 893785947 /nfs/dbraw/zinc/78/59/47/893785947.db2.gz RPNNRURJFCZRLM-UHFFFAOYSA-N 2 1 384.593 3.639 20 0 GHADMP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc(Br)c1O ZINC000459561231 893809618 /nfs/dbraw/zinc/80/96/18/893809618.db2.gz OWPPKYSYKBWTMF-UHFFFAOYSA-N 2 1 382.302 3.580 20 0 GHADMP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc(Br)c1O ZINC000459561231 893809636 /nfs/dbraw/zinc/80/96/36/893809636.db2.gz OWPPKYSYKBWTMF-UHFFFAOYSA-N 2 1 382.302 3.580 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159983 894058882 /nfs/dbraw/zinc/05/88/82/894058882.db2.gz CERHPDRETANDNA-LADGPHEKSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159983 894058899 /nfs/dbraw/zinc/05/88/99/894058899.db2.gz CERHPDRETANDNA-LADGPHEKSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159983 894058915 /nfs/dbraw/zinc/05/89/15/894058915.db2.gz CERHPDRETANDNA-LADGPHEKSA-N 2 1 384.564 3.560 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459727924 894115556 /nfs/dbraw/zinc/11/55/56/894115556.db2.gz HSXHGTBLMDUDRW-INIZCTEOSA-N 2 1 399.373 3.686 20 0 GHADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(Br)c1OC ZINC000459734099 894126569 /nfs/dbraw/zinc/12/65/69/894126569.db2.gz OCVMALDPZXVOFD-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C[C@@H]1c1ccccc1 ZINC000645395105 913872861 /nfs/dbraw/zinc/87/28/61/913872861.db2.gz CRHCMKRJEIMBBO-BJKOFHAPSA-N 2 1 387.527 3.822 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C[C@@H]1c1ccccc1 ZINC000645395105 913872876 /nfs/dbraw/zinc/87/28/76/913872876.db2.gz CRHCMKRJEIMBBO-BJKOFHAPSA-N 2 1 387.527 3.822 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4c(OC)cccc43)cc2)CC1 ZINC000564036311 894501822 /nfs/dbraw/zinc/50/18/22/894501822.db2.gz ANUYSTAKVVVTDO-DEOSSOPVSA-N 2 1 393.575 4.000 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)c1ccc(Cl)cc1 ZINC000564110203 894606560 /nfs/dbraw/zinc/60/65/60/894606560.db2.gz PQYKBYRUMWDTPU-HXUWFJFHSA-N 2 1 388.943 3.610 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892387 894702860 /nfs/dbraw/zinc/70/28/60/894702860.db2.gz VQCGJLSDOZXFBK-FCUGFLGKSA-N 2 1 396.575 3.557 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892387 894702870 /nfs/dbraw/zinc/70/28/70/894702870.db2.gz VQCGJLSDOZXFBK-FCUGFLGKSA-N 2 1 396.575 3.557 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892387 894702887 /nfs/dbraw/zinc/70/28/87/894702887.db2.gz VQCGJLSDOZXFBK-FCUGFLGKSA-N 2 1 396.575 3.557 20 0 GHADMP Cc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1F ZINC000537291509 894716723 /nfs/dbraw/zinc/71/67/23/894716723.db2.gz PYLKZLYVZCAOGC-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000564845350 895278791 /nfs/dbraw/zinc/27/87/91/895278791.db2.gz UHIYENYTXFMKQJ-MJTJJFPGSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000564845350 895278800 /nfs/dbraw/zinc/27/88/00/895278800.db2.gz UHIYENYTXFMKQJ-MJTJJFPGSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1csc([C@@H]2CC[NH+](CCC[N@H+]3CC[C@@H](c4nc(C)cs4)C3)C2)n1 ZINC000880009887 895447833 /nfs/dbraw/zinc/44/78/33/895447833.db2.gz RAYORIZYDWXOAM-IAGOWNOFSA-N 2 1 376.595 3.885 20 0 GHADMP Cc1csc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](c4nc(C)cs4)C3)C2)n1 ZINC000880009887 895447842 /nfs/dbraw/zinc/44/78/42/895447842.db2.gz RAYORIZYDWXOAM-IAGOWNOFSA-N 2 1 376.595 3.885 20 0 GHADMP Cc1csc([C@@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4nc(C)cs4)C3)C2)n1 ZINC000880009886 895448653 /nfs/dbraw/zinc/44/86/53/895448653.db2.gz RAYORIZYDWXOAM-CALCHBBNSA-N 2 1 376.595 3.885 20 0 GHADMP Cc1csc([C@@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4nc(C)cs4)C3)C2)n1 ZINC000880009886 895448662 /nfs/dbraw/zinc/44/86/62/895448662.db2.gz RAYORIZYDWXOAM-CALCHBBNSA-N 2 1 376.595 3.885 20 0 GHADMP Cc1csc([C@@H]2CC[N@@H+](CCC[NH+]3CC[C@H](c4nc(C)cs4)C3)C2)n1 ZINC000880009886 895448673 /nfs/dbraw/zinc/44/86/73/895448673.db2.gz RAYORIZYDWXOAM-CALCHBBNSA-N 2 1 376.595 3.885 20 0 GHADMP Cc1csc([C@@H]2CC[N@H+](CCC[NH+]3CC[C@H](c4nc(C)cs4)C3)C2)n1 ZINC000880009886 895448682 /nfs/dbraw/zinc/44/86/82/895448682.db2.gz RAYORIZYDWXOAM-CALCHBBNSA-N 2 1 376.595 3.885 20 0 GHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCC[NH+]1CCC1 ZINC000565216141 895465037 /nfs/dbraw/zinc/46/50/37/895465037.db2.gz NWLYKZSMRGVVAJ-LBPRGKRZSA-N 2 1 377.838 3.761 20 0 GHADMP COCCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000565277504 895498246 /nfs/dbraw/zinc/49/82/46/895498246.db2.gz WSJRGPFIARQNCC-DHIUTWEWSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000565277504 895498251 /nfs/dbraw/zinc/49/82/51/895498251.db2.gz WSJRGPFIARQNCC-DHIUTWEWSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000565277504 895498259 /nfs/dbraw/zinc/49/82/59/895498259.db2.gz WSJRGPFIARQNCC-DHIUTWEWSA-N 2 1 380.532 3.666 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000565353982 895558729 /nfs/dbraw/zinc/55/87/29/895558729.db2.gz MNRIXIAYTNJARH-IPJJNNNSSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000565353982 895558738 /nfs/dbraw/zinc/55/87/38/895558738.db2.gz MNRIXIAYTNJARH-IPJJNNNSSA-N 2 1 375.520 3.829 20 0 GHADMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000880475184 895724211 /nfs/dbraw/zinc/72/42/11/895724211.db2.gz UOFJNVUWKAEPQL-JOCHJYFZSA-N 2 1 397.588 3.904 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccccc3C)C3CC3)CC2)CC1 ZINC000565665477 895796479 /nfs/dbraw/zinc/79/64/79/895796479.db2.gz GFXQEELXBWQHJE-QHCPKHFHSA-N 2 1 383.580 3.759 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)CC1 ZINC000565809770 895900388 /nfs/dbraw/zinc/90/03/88/895900388.db2.gz ZAEHOYPLFQDYLR-OAQYLSRUSA-N 2 1 391.987 3.729 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)CC1 ZINC000565809770 895900399 /nfs/dbraw/zinc/90/03/99/895900399.db2.gz ZAEHOYPLFQDYLR-OAQYLSRUSA-N 2 1 391.987 3.729 20 0 GHADMP Fc1cc(Br)ccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817892873 895950923 /nfs/dbraw/zinc/95/09/23/895950923.db2.gz WHRKYTBXPUVOOR-HKUYNNGSSA-N 2 1 391.284 3.934 20 0 GHADMP Fc1cc(Br)ccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817892880 895951036 /nfs/dbraw/zinc/95/10/36/895951036.db2.gz WHRKYTBXPUVOOR-PKOBYXMFSA-N 2 1 391.284 3.934 20 0 GHADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000796264122 914033407 /nfs/dbraw/zinc/03/34/07/914033407.db2.gz QLDOKOJMOCZYTN-INIZCTEOSA-N 2 1 375.948 3.973 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)nc1)CC2 ZINC001137164050 896179379 /nfs/dbraw/zinc/17/93/79/896179379.db2.gz GNFARFXZPACNIU-QGZVFWFLSA-N 2 1 375.900 3.584 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC12CCOCC2 ZINC000566244921 896194889 /nfs/dbraw/zinc/19/48/89/896194889.db2.gz CFOFIOGRDWLBJF-MRXNPFEDSA-N 2 1 386.458 3.552 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566244095 896196475 /nfs/dbraw/zinc/19/64/75/896196475.db2.gz BAJVIPXXOUFVQL-MPXAEWJHSA-N 2 1 389.849 3.745 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000566244095 896196487 /nfs/dbraw/zinc/19/64/87/896196487.db2.gz BAJVIPXXOUFVQL-MPXAEWJHSA-N 2 1 389.849 3.745 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3csc4ccccc34)CC2)C[C@H](C)O1 ZINC000566381293 896273618 /nfs/dbraw/zinc/27/36/18/896273618.db2.gz GCLHOKZFOMNWCG-ROUUACIJSA-N 2 1 388.577 3.992 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3Cl)c2)CCO1 ZINC000818974825 896331104 /nfs/dbraw/zinc/33/11/04/896331104.db2.gz FWAUJVLHNQAKSF-QVKFZJNVSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3Cl)c2)CCO1 ZINC000818974825 896331119 /nfs/dbraw/zinc/33/11/19/896331119.db2.gz FWAUJVLHNQAKSF-QVKFZJNVSA-N 2 1 392.902 3.523 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000819050340 896341575 /nfs/dbraw/zinc/34/15/75/896341575.db2.gz SCSCSFSGEJBVMB-IBGZPJMESA-N 2 1 393.984 3.894 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274873 896561237 /nfs/dbraw/zinc/56/12/37/896561237.db2.gz NHKVMTRYLVEHQT-PXNSSMCTSA-N 2 1 389.337 3.594 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCCC(=O)Nc3ccccc3)cc2)CC1 ZINC000819445013 896677986 /nfs/dbraw/zinc/67/79/86/896677986.db2.gz MERZDFCRDQVQIH-UHFFFAOYSA-N 2 1 380.536 3.905 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136218883 896701715 /nfs/dbraw/zinc/70/17/15/896701715.db2.gz FVLZPMHMVGCRTE-AZUAARDMSA-N 2 1 377.960 3.715 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000567048455 896829705 /nfs/dbraw/zinc/82/97/05/896829705.db2.gz DBCFNRJUNQTRER-HOTGVXAUSA-N 2 1 389.341 3.661 20 0 GHADMP CCOc1c(Br)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000567471367 897185244 /nfs/dbraw/zinc/18/52/44/897185244.db2.gz JQZKIRPUVPGGFQ-HOTGVXAUSA-N 2 1 397.357 3.678 20 0 GHADMP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)CSCC2 ZINC000883016848 897208462 /nfs/dbraw/zinc/20/84/62/897208462.db2.gz NUEWKQNDMBZASY-UHFFFAOYSA-N 2 1 396.560 3.724 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@H](C)C1 ZINC000131276492 897391692 /nfs/dbraw/zinc/39/16/92/897391692.db2.gz QILBAHCSZBGCHS-CCKFTAQKSA-N 2 1 389.367 3.753 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000883286286 897445296 /nfs/dbraw/zinc/44/52/96/897445296.db2.gz OEHQMSQGJSADIZ-UADZTWIMSA-N 2 1 390.531 3.501 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000567895291 897476070 /nfs/dbraw/zinc/47/60/70/897476070.db2.gz CAUVOGYDICCZHE-FGZHOGPDSA-N 2 1 377.532 3.541 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820825026 897568081 /nfs/dbraw/zinc/56/80/81/897568081.db2.gz WPZFCANEMBJBFJ-FRIKZZABSA-N 2 1 395.547 3.883 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000883436338 897581366 /nfs/dbraw/zinc/58/13/66/897581366.db2.gz PZAOZKVFWXQODL-ZJSXRUAMSA-N 2 1 394.563 3.976 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000132121548 897680950 /nfs/dbraw/zinc/68/09/50/897680950.db2.gz RCBDFFHGGGCJIE-MDNKFWRPSA-N 2 1 390.572 3.985 20 0 GHADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001136425315 897790955 /nfs/dbraw/zinc/79/09/55/897790955.db2.gz FVCKRWBOKNSICV-SFHVURJKSA-N 2 1 386.367 3.758 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000289475533 914203908 /nfs/dbraw/zinc/20/39/08/914203908.db2.gz JKRCURSWEJDQKW-NSHGMRRFSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000289475533 914203917 /nfs/dbraw/zinc/20/39/17/914203917.db2.gz JKRCURSWEJDQKW-NSHGMRRFSA-N 2 1 394.563 3.548 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001136542138 898214753 /nfs/dbraw/zinc/21/47/53/898214753.db2.gz YJOOXEHGQFLITJ-VQIMIIECSA-N 2 1 399.501 3.683 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001136542136 898215196 /nfs/dbraw/zinc/21/51/96/898215196.db2.gz YJOOXEHGQFLITJ-LPHOPBHVSA-N 2 1 399.501 3.683 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000569039137 898291978 /nfs/dbraw/zinc/29/19/78/898291978.db2.gz PDPBFKYWKIFRFH-LJFZDNNRSA-N 2 1 398.522 3.757 20 0 GHADMP O[C@H](C[NH2+]Cc1ccc(-c2ccccc2Br)cc1)C[NH+]1CCCC1 ZINC000509516430 898316531 /nfs/dbraw/zinc/31/65/31/898316531.db2.gz OHOUYEBNXKYHMY-GOSISDBHSA-N 2 1 389.337 3.662 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000569244837 898462068 /nfs/dbraw/zinc/46/20/68/898462068.db2.gz AJTDZKQOJVFEHT-QTEQDKRBSA-N 2 1 397.588 3.665 20 0 GHADMP C[C@H]([NH3+])[C@H](C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000822956681 898753348 /nfs/dbraw/zinc/75/33/48/898753348.db2.gz NNTJUULVUIOGFL-IRXDYDNUSA-N 2 1 392.503 3.687 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289725196 914314938 /nfs/dbraw/zinc/31/49/38/914314938.db2.gz GJBNPJBCZZDYHQ-OAQYLSRUSA-N 2 1 395.547 3.776 20 0 GHADMP C[N@@H+](CC(c1ccccc1)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646197008 914316410 /nfs/dbraw/zinc/31/64/10/914316410.db2.gz JTSUDQKJPQRTDJ-DEOSSOPVSA-N 2 1 377.576 3.919 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(SCC[NH+]3CCCCC3)cc1)CC2 ZINC000570403973 899302905 /nfs/dbraw/zinc/30/29/05/899302905.db2.gz YAXMNLBDBAEKOS-SFHVURJKSA-N 2 1 398.576 3.971 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803901 899337980 /nfs/dbraw/zinc/33/79/80/899337980.db2.gz NGBKWXFLJDQBRK-RBUKOAKNSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803901 899337986 /nfs/dbraw/zinc/33/79/86/899337986.db2.gz NGBKWXFLJDQBRK-RBUKOAKNSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803901 899337994 /nfs/dbraw/zinc/33/79/94/899337994.db2.gz NGBKWXFLJDQBRK-RBUKOAKNSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000824142136 899408186 /nfs/dbraw/zinc/40/81/86/899408186.db2.gz KEPOORIKEWSCKU-IBGZPJMESA-N 2 1 393.531 3.828 20 0 GHADMP [NH3+][C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000884228308 899435766 /nfs/dbraw/zinc/43/57/66/899435766.db2.gz NHXBNXJOAZKHEF-JTTJXQCZSA-N 2 1 383.458 3.619 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000884259840 899575569 /nfs/dbraw/zinc/57/55/69/899575569.db2.gz AGAZGISVJNSBOV-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136936729 899811606 /nfs/dbraw/zinc/81/16/06/899811606.db2.gz ITXUGVYRXHSTSI-DENIHFKCSA-N 2 1 394.506 3.511 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136936729 899811619 /nfs/dbraw/zinc/81/16/19/899811619.db2.gz ITXUGVYRXHSTSI-DENIHFKCSA-N 2 1 394.506 3.511 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136936729 899811636 /nfs/dbraw/zinc/81/16/36/899811636.db2.gz ITXUGVYRXHSTSI-DENIHFKCSA-N 2 1 394.506 3.511 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136936729 899811648 /nfs/dbraw/zinc/81/16/48/899811648.db2.gz ITXUGVYRXHSTSI-DENIHFKCSA-N 2 1 394.506 3.511 20 0 GHADMP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000573257679 900432943 /nfs/dbraw/zinc/43/29/43/900432943.db2.gz JVFNCMKXEJYEBH-DIFFPNOSSA-N 2 1 398.370 3.502 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cncc(Br)c1 ZINC000573460717 900518620 /nfs/dbraw/zinc/51/86/20/900518620.db2.gz YGIBZTZQPURTNV-OAHLLOKOSA-N 2 1 390.325 3.527 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120163 900751251 /nfs/dbraw/zinc/75/12/51/900751251.db2.gz DJOSEAUSQNOTSH-YMPZKCBVSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120163 900751258 /nfs/dbraw/zinc/75/12/58/900751258.db2.gz DJOSEAUSQNOTSH-YMPZKCBVSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120163 900751262 /nfs/dbraw/zinc/75/12/62/900751262.db2.gz DJOSEAUSQNOTSH-YMPZKCBVSA-N 2 1 388.983 3.878 20 0 GHADMP Cc1c(-c2cc(C[N@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)on2)cnn1C ZINC000574159380 900798264 /nfs/dbraw/zinc/79/82/64/900798264.db2.gz NXJDPAJZZRDXBL-AUSIDOKSSA-N 2 1 393.535 3.556 20 0 GHADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462522 900895814 /nfs/dbraw/zinc/89/58/14/900895814.db2.gz YCZOPYYVDDPTMN-AQNXPRMDSA-N 2 1 397.604 3.645 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462522 900895819 /nfs/dbraw/zinc/89/58/19/900895819.db2.gz YCZOPYYVDDPTMN-AQNXPRMDSA-N 2 1 397.604 3.645 20 0 GHADMP Cc1noc(C)c1CC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCc2c(C)noc2C)CC1 ZINC000886389495 900975857 /nfs/dbraw/zinc/97/58/57/900975857.db2.gz LRDZDPYZGVJSMF-MXVIHJGJSA-N 2 1 388.556 3.856 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4cc(Cl)ccc4C3)CC2)C1 ZINC001171133435 901012055 /nfs/dbraw/zinc/01/20/55/901012055.db2.gz LQPPJYSRMLAOKM-NQIIRXRSSA-N 2 1 390.955 3.547 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886500373 901084519 /nfs/dbraw/zinc/08/45/19/901084519.db2.gz SGUABAMDRCIGGE-VJBMBRPKSA-N 2 1 393.531 3.527 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000886526015 901125181 /nfs/dbraw/zinc/12/51/81/901125181.db2.gz CODHERYZIZWLAZ-UHMOLFJZSA-N 2 1 376.504 3.972 20 0 GHADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000646427935 914510637 /nfs/dbraw/zinc/51/06/37/914510637.db2.gz IOBUVTVCQLQMMJ-RBUKOAKNSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000575248964 901181548 /nfs/dbraw/zinc/18/15/48/901181548.db2.gz ZDAMOQNZZLZYNK-UWJYYQICSA-N 2 1 388.939 3.895 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)c3ccc(Br)cc3)CC2)[nH+]c1C ZINC000886659251 901212523 /nfs/dbraw/zinc/21/25/23/901212523.db2.gz HRCFIQRLFARJLS-QGZVFWFLSA-N 2 1 378.314 3.702 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)[nH+]c1C ZINC000886667494 901215400 /nfs/dbraw/zinc/21/54/00/901215400.db2.gz BNPBOIUHCZPXNL-UNMCSNQZSA-N 2 1 383.536 3.661 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000886709505 901239488 /nfs/dbraw/zinc/23/94/88/901239488.db2.gz SCZISFVMPMWPEI-AKIFATBCSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886711494 901241739 /nfs/dbraw/zinc/24/17/39/901241739.db2.gz XADOXOAYCAMOPW-WWNPGLIZSA-N 2 1 386.580 3.853 20 0 GHADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000886714992 901245566 /nfs/dbraw/zinc/24/55/66/901245566.db2.gz ZQJBVLIEYQUGNO-UHFFFAOYSA-N 2 1 394.357 3.728 20 0 GHADMP COC(=O)c1ccc([C@@H](C)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550776 902090700 /nfs/dbraw/zinc/09/07/00/902090700.db2.gz BGKKIFHQRZCKII-CVEARBPZSA-N 2 1 376.522 3.951 20 0 GHADMP COC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000290247893 914596167 /nfs/dbraw/zinc/59/61/67/914596167.db2.gz JROSDKQGUYFXBU-IBGZPJMESA-N 2 1 377.916 3.543 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000576667042 902172579 /nfs/dbraw/zinc/17/25/79/902172579.db2.gz ARKXCSADPAKYHB-NQIIRXRSSA-N 2 1 380.536 3.575 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000576722878 902217882 /nfs/dbraw/zinc/21/78/82/902217882.db2.gz XPNVUFPXJXXTRC-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C)c1 ZINC000576805321 902272905 /nfs/dbraw/zinc/27/29/05/902272905.db2.gz OSYOOBNIUGLCBN-QFIPXVFZSA-N 2 1 390.531 3.624 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1SC(F)F ZINC000128610308 902691402 /nfs/dbraw/zinc/69/14/02/902691402.db2.gz HPROXIOUWAMYAH-HNNXBMFYSA-N 2 1 387.540 3.688 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000600845684 902997128 /nfs/dbraw/zinc/99/71/28/902997128.db2.gz IPHRZRQSXFYAKU-KNQAVFIVSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000600845684 902997133 /nfs/dbraw/zinc/99/71/33/902997133.db2.gz IPHRZRQSXFYAKU-KNQAVFIVSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000600845684 902997141 /nfs/dbraw/zinc/99/71/41/902997141.db2.gz IPHRZRQSXFYAKU-KNQAVFIVSA-N 2 1 386.584 3.735 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000600850636 903002487 /nfs/dbraw/zinc/00/24/87/903002487.db2.gz JFOYMLZJJRVSDT-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000600850636 903002498 /nfs/dbraw/zinc/00/24/98/903002498.db2.gz JFOYMLZJJRVSDT-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000600850636 903002514 /nfs/dbraw/zinc/00/25/14/903002514.db2.gz JFOYMLZJJRVSDT-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000577655725 903009365 /nfs/dbraw/zinc/00/93/65/903009365.db2.gz WITAYYZWPMPAPI-INIZCTEOSA-N 2 1 378.948 3.871 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000290426678 914677473 /nfs/dbraw/zinc/67/74/73/914677473.db2.gz UWTIRGIVOZSQES-AUSIDOKSSA-N 2 1 375.516 3.902 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000131643870 903130993 /nfs/dbraw/zinc/13/09/93/903130993.db2.gz LPSJMGISFSFYQG-INIZCTEOSA-N 2 1 383.517 3.576 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600998818 903206994 /nfs/dbraw/zinc/20/69/94/903206994.db2.gz BAJBKHSPTRNHDV-SIKLNZKXSA-N 2 1 399.966 3.624 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600998818 903207007 /nfs/dbraw/zinc/20/70/07/903207007.db2.gz BAJBKHSPTRNHDV-SIKLNZKXSA-N 2 1 399.966 3.624 20 0 GHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000577807968 903222449 /nfs/dbraw/zinc/22/24/49/903222449.db2.gz LLKIXNQGLZNRAX-MRXNPFEDSA-N 2 1 376.545 3.627 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000577849885 903268479 /nfs/dbraw/zinc/26/84/79/903268479.db2.gz LPBYRCJEAWGQID-HZPDHXFCSA-N 2 1 389.341 3.661 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264911122 903470237 /nfs/dbraw/zinc/47/02/37/903470237.db2.gz NKBVAHDHPORXSC-UHFFFAOYSA-N 2 1 385.596 3.869 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000779053732 903564462 /nfs/dbraw/zinc/56/44/62/903564462.db2.gz BEQBDXZGCZRZPT-UXHICEINSA-N 2 1 375.557 3.921 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000578277337 903683315 /nfs/dbraw/zinc/68/33/15/903683315.db2.gz YLXPMSVZMBUDJT-XAVZPLJISA-N 2 1 397.485 3.641 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000578277337 903683323 /nfs/dbraw/zinc/68/33/23/903683323.db2.gz YLXPMSVZMBUDJT-XAVZPLJISA-N 2 1 397.485 3.641 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000137569163 903868675 /nfs/dbraw/zinc/86/86/75/903868675.db2.gz ABCQFQSKLJVJMW-MRXNPFEDSA-N 2 1 383.458 3.984 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000773000568 904355051 /nfs/dbraw/zinc/35/50/51/904355051.db2.gz WHDLRCFIRQKCFX-NRFANRHFSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000773078144 904414917 /nfs/dbraw/zinc/41/49/17/904414917.db2.gz VEAUBARULRYESO-JKSUJKDBSA-N 2 1 388.524 3.702 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000773078144 904414936 /nfs/dbraw/zinc/41/49/36/904414936.db2.gz VEAUBARULRYESO-JKSUJKDBSA-N 2 1 388.524 3.702 20 0 GHADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000579341864 904530158 /nfs/dbraw/zinc/53/01/58/904530158.db2.gz ABHLWENCJKFAOO-GUDVDZBRSA-N 2 1 384.973 3.534 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCc4c(F)cccc4C3)CC2)c1 ZINC001171443019 904681681 /nfs/dbraw/zinc/68/16/81/904681681.db2.gz VBPNBHZALKMESI-OAQYLSRUSA-N 2 1 396.506 3.724 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564613 904829704 /nfs/dbraw/zinc/82/97/04/904829704.db2.gz CTQGQVGRCXZMMC-IFMALSPDSA-N 2 1 384.564 3.592 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564613 904829726 /nfs/dbraw/zinc/82/97/26/904829726.db2.gz CTQGQVGRCXZMMC-IFMALSPDSA-N 2 1 384.564 3.592 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)CC1(C)C ZINC001171635387 904923756 /nfs/dbraw/zinc/92/37/56/904923756.db2.gz XWAUEIIHIQRYOC-NRFANRHFSA-N 2 1 375.582 3.828 20 0 GHADMP COc1ccc(N2C[C@@]3(CC[N@H+](C4CC(C)(C)[NH+](C)C(C)(C)C4)C3)CC2=O)cc1 ZINC001171635425 904924232 /nfs/dbraw/zinc/92/42/32/904924232.db2.gz ZLECJISZJVEFNJ-DEOSSOPVSA-N 2 1 399.579 3.775 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4Cc5cccc(F)c5C4)CC3)C2)cc1 ZINC001171802344 905065526 /nfs/dbraw/zinc/06/55/26/905065526.db2.gz XVVOHMJQBVUKHJ-JOCHJYFZSA-N 2 1 394.534 3.968 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171865310 905112759 /nfs/dbraw/zinc/11/27/59/905112759.db2.gz AYTAVPGASSCZHU-VWNXMTODSA-N 2 1 391.559 3.793 20 0 GHADMP CCOC(=O)C1(C)CCC(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001171953192 905158371 /nfs/dbraw/zinc/15/83/71/905158371.db2.gz IFABTMHZPXRCCP-PDDLGQBUSA-N 2 1 390.572 3.612 20 0 GHADMP CN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001171964552 905172966 /nfs/dbraw/zinc/17/29/66/905172966.db2.gz LUCVVSUOMRQKJS-IBGZPJMESA-N 2 1 375.557 3.886 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171985022 905242318 /nfs/dbraw/zinc/24/23/18/905242318.db2.gz ZZPQSHYJCGZKKU-QFIPXVFZSA-N 2 1 379.548 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987422 905248794 /nfs/dbraw/zinc/24/87/94/905248794.db2.gz VCWLDNVQNPVLES-NJDAHSKKSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987422 905248802 /nfs/dbraw/zinc/24/88/02/905248802.db2.gz VCWLDNVQNPVLES-NJDAHSKKSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987422 905248818 /nfs/dbraw/zinc/24/88/18/905248818.db2.gz VCWLDNVQNPVLES-NJDAHSKKSA-N 2 1 399.579 3.981 20 0 GHADMP CN(C)C(=O)[C@H]1CC12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172076089 905288353 /nfs/dbraw/zinc/28/83/53/905288353.db2.gz ZNWOOSUCKXXEKB-WZYRSQIMSA-N 2 1 395.591 3.762 20 0 GHADMP CC(C)C(=O)N[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172086194 905299007 /nfs/dbraw/zinc/29/90/07/905299007.db2.gz DZICTZIQCPUJGE-BXXSPATCSA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)C(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172086194 905299024 /nfs/dbraw/zinc/29/90/24/905299024.db2.gz DZICTZIQCPUJGE-BXXSPATCSA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172086194 905299040 /nfs/dbraw/zinc/29/90/40/905299040.db2.gz DZICTZIQCPUJGE-BXXSPATCSA-N 2 1 383.580 3.809 20 0 GHADMP CN1C(=O)CCC12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172086823 905302309 /nfs/dbraw/zinc/30/23/09/905302309.db2.gz JDFKTIOLUZAYGI-ZBYYUNFXSA-N 2 1 381.564 3.659 20 0 GHADMP COCCCC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172090433 905307760 /nfs/dbraw/zinc/30/77/60/905307760.db2.gz VPOQKPRZCKJBNE-BKFWDETESA-N 2 1 385.596 3.616 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CC1 ZINC001172090685 905307844 /nfs/dbraw/zinc/30/78/44/905307844.db2.gz VZFNIHKBLKRQGS-LUKWVAJMSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CC1 ZINC001172090685 905307868 /nfs/dbraw/zinc/30/78/68/905307868.db2.gz VZFNIHKBLKRQGS-LUKWVAJMSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C1CC1 ZINC001172090685 905307885 /nfs/dbraw/zinc/30/78/85/905307885.db2.gz VZFNIHKBLKRQGS-LUKWVAJMSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C1CC1 ZINC001172090685 905307900 /nfs/dbraw/zinc/30/79/00/905307900.db2.gz VZFNIHKBLKRQGS-LUKWVAJMSA-N 2 1 381.564 3.563 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090995 905309865 /nfs/dbraw/zinc/30/98/65/905309865.db2.gz ZLIGXSIUQPVNBD-BJESRGMDSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090995 905309879 /nfs/dbraw/zinc/30/98/79/905309879.db2.gz ZLIGXSIUQPVNBD-BJESRGMDSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090995 905309894 /nfs/dbraw/zinc/30/98/94/905309894.db2.gz ZLIGXSIUQPVNBD-BJESRGMDSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090995 905309903 /nfs/dbraw/zinc/30/99/03/905309903.db2.gz ZLIGXSIUQPVNBD-BJESRGMDSA-N 2 1 392.547 3.906 20 0 GHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172062996 905325080 /nfs/dbraw/zinc/32/50/80/905325080.db2.gz VGDBEFLEWOILPP-DKUWSORSSA-N 2 1 398.572 3.765 20 0 GHADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172062996 905325113 /nfs/dbraw/zinc/32/51/13/905325113.db2.gz VGDBEFLEWOILPP-DKUWSORSSA-N 2 1 398.572 3.765 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@@H]2CC[N@H+](CC4CCOCC4)C2)C3)cc1 ZINC001172065241 905329046 /nfs/dbraw/zinc/32/90/46/905329046.db2.gz JIBAWFRPOUSTDT-ZKGSSEMHSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@@H]2CC[NH+](CC4CCOCC4)C2)C3)cc1 ZINC001172065241 905329062 /nfs/dbraw/zinc/32/90/62/905329062.db2.gz JIBAWFRPOUSTDT-ZKGSSEMHSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N[C@@H]2CC[NH+](CC4CCOCC4)C2)C3)cc1 ZINC001172065241 905329075 /nfs/dbraw/zinc/32/90/75/905329075.db2.gz JIBAWFRPOUSTDT-ZKGSSEMHSA-N 2 1 397.607 3.663 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC3CCOCC3)c(F)c1)C2 ZINC001172112377 905359473 /nfs/dbraw/zinc/35/94/73/905359473.db2.gz VXXYZOQERYYXNR-ACDBMABISA-N 2 1 376.516 3.736 20 0 GHADMP Cc1noc(C)c1C[NH+]1CCCC12CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172117610 905372023 /nfs/dbraw/zinc/37/20/23/905372023.db2.gz KDZFBLMAQCCTJQ-AERCQKQUSA-N 2 1 386.584 3.737 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172117610 905372036 /nfs/dbraw/zinc/37/20/36/905372036.db2.gz KDZFBLMAQCCTJQ-AERCQKQUSA-N 2 1 386.584 3.737 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172117610 905372049 /nfs/dbraw/zinc/37/20/49/905372049.db2.gz KDZFBLMAQCCTJQ-AERCQKQUSA-N 2 1 386.584 3.737 20 0 GHADMP O=C1CC[C@H]2C[C@@H]([N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)CCN12 ZINC001172182128 905398424 /nfs/dbraw/zinc/39/84/24/905398424.db2.gz JULHACHGCWODKW-VXKWHMMOSA-N 2 1 381.564 3.518 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001172244482 905444310 /nfs/dbraw/zinc/44/43/10/905444310.db2.gz RTSWPVBKOFXCER-UHFFFAOYSA-N 2 1 377.529 3.624 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172605956 905665685 /nfs/dbraw/zinc/66/56/85/905665685.db2.gz RPRXTBBCGSARBL-WMLDXEAASA-N 2 1 384.442 3.687 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644904 905707753 /nfs/dbraw/zinc/70/77/53/905707753.db2.gz AWZLNBOHRJYMMU-JQVVWYNYSA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644904 905707764 /nfs/dbraw/zinc/70/77/64/905707764.db2.gz AWZLNBOHRJYMMU-JQVVWYNYSA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644904 905707781 /nfs/dbraw/zinc/70/77/81/905707781.db2.gz AWZLNBOHRJYMMU-JQVVWYNYSA-N 2 1 379.589 3.972 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCc4ccc(C)cc4C3)CC2)c1 ZINC001172838479 905889864 /nfs/dbraw/zinc/88/98/64/905889864.db2.gz LKLXXLYIXTZZGP-XMMPIXPASA-N 2 1 392.543 3.893 20 0 GHADMP C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172850674 905904147 /nfs/dbraw/zinc/90/41/47/905904147.db2.gz LLGMDPYWIJPHNV-MRXNPFEDSA-N 2 1 390.934 3.761 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172864104 905917825 /nfs/dbraw/zinc/91/78/25/905917825.db2.gz UFDSOYYDCOLLHQ-KRWDZBQOSA-N 2 1 389.946 3.947 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173073658 906167872 /nfs/dbraw/zinc/16/78/72/906167872.db2.gz PRODFETYOZJCQI-MJGOQNOKSA-N 2 1 388.556 3.736 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001173108371 906194984 /nfs/dbraw/zinc/19/49/84/906194984.db2.gz DEAFILJHHVFNAA-FVELJTHGSA-N 2 1 379.589 3.971 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139563 906226609 /nfs/dbraw/zinc/22/66/09/906226609.db2.gz USBXANGALUETIT-WQZMEWCLSA-N 2 1 382.577 3.628 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139563 906226621 /nfs/dbraw/zinc/22/66/21/906226621.db2.gz USBXANGALUETIT-WQZMEWCLSA-N 2 1 382.577 3.628 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139563 906226634 /nfs/dbraw/zinc/22/66/34/906226634.db2.gz USBXANGALUETIT-WQZMEWCLSA-N 2 1 382.577 3.628 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139563 906226646 /nfs/dbraw/zinc/22/66/46/906226646.db2.gz USBXANGALUETIT-WQZMEWCLSA-N 2 1 382.577 3.628 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139563 906226659 /nfs/dbraw/zinc/22/66/59/906226659.db2.gz USBXANGALUETIT-WQZMEWCLSA-N 2 1 382.577 3.628 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC[N@H+]1C ZINC000177913505 906242738 /nfs/dbraw/zinc/24/27/38/906242738.db2.gz GOOGQWKXABLLPF-CRAIPNDOSA-N 2 1 381.358 3.570 20 0 GHADMP COc1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2COc3cccc(OC)c3C2)c1 ZINC001173159610 906246845 /nfs/dbraw/zinc/24/68/45/906246845.db2.gz KPTYVPLJQRWOSY-VAMGGRTRSA-N 2 1 396.531 3.779 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000177978136 906257636 /nfs/dbraw/zinc/25/76/36/906257636.db2.gz PSICEJFDDVUNMN-QGZVFWFLSA-N 2 1 389.565 3.749 20 0 GHADMP CCSC[C@@H](C)[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001173302215 906360476 /nfs/dbraw/zinc/36/04/76/906360476.db2.gz PQLZCLIXCGBHDL-SJORKVTESA-N 2 1 383.627 3.588 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613864 906540898 /nfs/dbraw/zinc/54/08/98/906540898.db2.gz ZJRDMHIRUQDJLJ-WUIRAFKNSA-N 2 1 388.577 3.624 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613864 906540902 /nfs/dbraw/zinc/54/09/02/906540902.db2.gz ZJRDMHIRUQDJLJ-WUIRAFKNSA-N 2 1 388.577 3.624 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613864 906540918 /nfs/dbraw/zinc/54/09/18/906540918.db2.gz ZJRDMHIRUQDJLJ-WUIRAFKNSA-N 2 1 388.577 3.624 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613864 906540927 /nfs/dbraw/zinc/54/09/27/906540927.db2.gz ZJRDMHIRUQDJLJ-WUIRAFKNSA-N 2 1 388.577 3.624 20 0 GHADMP C[C@@H]1CC([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173679937 906618979 /nfs/dbraw/zinc/61/89/79/906618979.db2.gz NBMKOQHYXDXELD-IAGOWNOFSA-N 2 1 388.556 3.508 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000779420883 906971519 /nfs/dbraw/zinc/97/15/19/906971519.db2.gz FRCGXZTZCVBPKH-FFGOWVMKSA-N 2 1 394.506 3.854 20 0 GHADMP C[NH+]1CCN(Cc2cccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC001174393949 906999727 /nfs/dbraw/zinc/99/97/27/906999727.db2.gz BFJLOFARWUPTTD-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2cccc(NC3=CCC[N@H+](Cc4ccccc4)C3)c2)CC1 ZINC001174393949 906999740 /nfs/dbraw/zinc/99/97/40/906999740.db2.gz BFJLOFARWUPTTD-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2cccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC001174393949 906999760 /nfs/dbraw/zinc/99/97/60/906999760.db2.gz BFJLOFARWUPTTD-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000182236167 907165970 /nfs/dbraw/zinc/16/59/70/907165970.db2.gz XVZRHXXRCYOVFR-LAUBAEHRSA-N 2 1 384.520 3.511 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC(C)(C)CCC3(C)C)cc2)CC1 ZINC001174726043 907175478 /nfs/dbraw/zinc/17/54/78/907175478.db2.gz SFZDKEWNTHZFBZ-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(OC)c1OC ZINC000631602155 907771190 /nfs/dbraw/zinc/77/11/90/907771190.db2.gz MEPFULHWWQWPHK-XUVXKRRUSA-N 2 1 376.541 3.512 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OC)c1OC ZINC000631602154 907771446 /nfs/dbraw/zinc/77/14/46/907771446.db2.gz MEPFULHWWQWPHK-UFYCRDLUSA-N 2 1 376.541 3.512 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2cccnc2c1 ZINC000631659161 907794935 /nfs/dbraw/zinc/79/49/35/907794935.db2.gz PXCSLADYXBQORR-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(=O)C1CC1 ZINC000192922849 908016552 /nfs/dbraw/zinc/01/65/52/908016552.db2.gz PIXINGPNYFTLJA-FQEVSTJZSA-N 2 1 394.515 3.622 20 0 GHADMP COc1cccc2c1CC[C@H]([NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)C2 ZINC000192442406 908788033 /nfs/dbraw/zinc/78/80/33/908788033.db2.gz KLKYAUXDVQSWBL-FQEVSTJZSA-N 2 1 383.536 3.659 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[C@@H]2CC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000635767930 909345079 /nfs/dbraw/zinc/34/50/79/909345079.db2.gz UPKSZWSHZBORPC-UNMCSNQZSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000635767930 909345098 /nfs/dbraw/zinc/34/50/98/909345098.db2.gz UPKSZWSHZBORPC-UNMCSNQZSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000635767930 909345116 /nfs/dbraw/zinc/34/51/16/909345116.db2.gz UPKSZWSHZBORPC-UNMCSNQZSA-N 2 1 387.568 3.746 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(F)(F)F ZINC001274305767 909383297 /nfs/dbraw/zinc/38/32/97/909383297.db2.gz NQFLWKRHYSBLQO-CALCHBBNSA-N 2 1 377.495 3.516 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001274305767 909383314 /nfs/dbraw/zinc/38/33/14/909383314.db2.gz NQFLWKRHYSBLQO-CALCHBBNSA-N 2 1 377.495 3.516 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(F)(F)F ZINC001274305767 909383328 /nfs/dbraw/zinc/38/33/28/909383328.db2.gz NQFLWKRHYSBLQO-CALCHBBNSA-N 2 1 377.495 3.516 20 0 GHADMP CN(C(=O)Nc1ccc(Cl)nc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000246044561 910058437 /nfs/dbraw/zinc/05/84/37/910058437.db2.gz APRFAGRLCJWGPH-ZWKOTPCHSA-N 2 1 393.963 3.536 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638347339 910128273 /nfs/dbraw/zinc/12/82/73/910128273.db2.gz PDTPYOVYWUYPEX-IFMALSPDSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638347339 910128278 /nfs/dbraw/zinc/12/82/78/910128278.db2.gz PDTPYOVYWUYPEX-IFMALSPDSA-N 2 1 393.531 3.842 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1OCCO ZINC000638396307 910144539 /nfs/dbraw/zinc/14/45/39/910144539.db2.gz JDAHNSZPAFJCPO-IRLDBZIGSA-N 2 1 396.531 3.524 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1OCCO ZINC000638396307 910144544 /nfs/dbraw/zinc/14/45/44/910144544.db2.gz JDAHNSZPAFJCPO-IRLDBZIGSA-N 2 1 396.531 3.524 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638747639 910224059 /nfs/dbraw/zinc/22/40/59/910224059.db2.gz DNSWJEMOMCNGPV-FUPPJEDESA-N 2 1 381.564 3.735 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638747639 910224043 /nfs/dbraw/zinc/22/40/43/910224043.db2.gz DNSWJEMOMCNGPV-FUPPJEDESA-N 2 1 381.564 3.735 20 0 GHADMP C[C@H](C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001180580900 910225647 /nfs/dbraw/zinc/22/56/47/910225647.db2.gz ZYAQASPHQVLWRS-QPPBQGQZSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H](C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001180580902 910226366 /nfs/dbraw/zinc/22/63/66/910226366.db2.gz ZYAQASPHQVLWRS-XUZZJYLKSA-N 2 1 391.559 3.774 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639141603 910325449 /nfs/dbraw/zinc/32/54/49/910325449.db2.gz HTXATPCYAMBHNF-SFHVURJKSA-N 2 1 375.463 3.634 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639141603 910325464 /nfs/dbraw/zinc/32/54/64/910325464.db2.gz HTXATPCYAMBHNF-SFHVURJKSA-N 2 1 375.463 3.634 20 0 GHADMP CS(=O)(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639213670 910351687 /nfs/dbraw/zinc/35/16/87/910351687.db2.gz KOYXHTVEYMBMEN-BJYLEDMPSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639213670 910351692 /nfs/dbraw/zinc/35/16/92/910351692.db2.gz KOYXHTVEYMBMEN-BJYLEDMPSA-N 2 1 390.593 3.548 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246812298 910658046 /nfs/dbraw/zinc/65/80/46/910658046.db2.gz NJWWMQSFTIHPQB-HBFSDRIKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001181471389 910782939 /nfs/dbraw/zinc/78/29/39/910782939.db2.gz FJPGHPMUGDRXBK-LSTHTHJFSA-N 2 1 394.401 3.904 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001181471604 910783834 /nfs/dbraw/zinc/78/38/34/910783834.db2.gz ISBOOPAPIKTDFS-WCIQWLHISA-N 2 1 379.589 3.875 20 0 GHADMP O=C(N1CCCC[C@H]1C[NH+]1CCCC1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181490726 910793220 /nfs/dbraw/zinc/79/32/20/910793220.db2.gz OPMDHRZAQNUBOH-MHIUNMELSA-N 2 1 381.564 3.518 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000271435722 910904220 /nfs/dbraw/zinc/90/42/20/910904220.db2.gz FKKAUOXODDGPKI-RDPSFJRHSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000271435722 910904226 /nfs/dbraw/zinc/90/42/26/910904226.db2.gz FKKAUOXODDGPKI-RDPSFJRHSA-N 2 1 391.559 3.952 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@H]21 ZINC000247147323 910999109 /nfs/dbraw/zinc/99/91/09/910999109.db2.gz SSQRURSZFHGMTL-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640565670 911070043 /nfs/dbraw/zinc/07/00/43/911070043.db2.gz VYYJEANDQAHOKY-GOSISDBHSA-N 2 1 387.572 3.652 20 0 GHADMP C[C@H](c1ccc(Oc2ccccc2)cc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641118374 911329791 /nfs/dbraw/zinc/32/97/91/911329791.db2.gz LOCFSBRIXYLFNB-GOSISDBHSA-N 2 1 391.519 3.645 20 0 GHADMP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239573 911361274 /nfs/dbraw/zinc/36/12/74/911361274.db2.gz GNRDDMGZYUMJPW-SMIHKQSGSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](c3ccccc3)[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239573 911361291 /nfs/dbraw/zinc/36/12/91/911361291.db2.gz GNRDDMGZYUMJPW-SMIHKQSGSA-N 2 1 391.559 3.660 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001182317630 911446401 /nfs/dbraw/zinc/44/64/01/911446401.db2.gz QCFVWEBIFMXXJD-FCHUYYIVSA-N 2 1 393.531 3.590 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001182317630 911446412 /nfs/dbraw/zinc/44/64/12/911446412.db2.gz QCFVWEBIFMXXJD-FCHUYYIVSA-N 2 1 393.531 3.590 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC001182321677 911483687 /nfs/dbraw/zinc/48/36/87/911483687.db2.gz YWDYHFPGNMHXRO-QFIPXVFZSA-N 2 1 383.580 3.541 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[C@H](C)C1 ZINC000774509982 911807156 /nfs/dbraw/zinc/80/71/56/911807156.db2.gz BUPSLRSXIYECFP-WCIQWLHISA-N 2 1 397.604 3.501 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[C@@H](C)C1 ZINC000774509978 911807283 /nfs/dbraw/zinc/80/72/83/911807283.db2.gz BUPSLRSXIYECFP-HAGHYFMRSA-N 2 1 397.604 3.501 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1c(F)cccc1F ZINC000092821566 911839986 /nfs/dbraw/zinc/83/99/86/911839986.db2.gz OOVGSLIFGNYBGL-HXUWFJFHSA-N 2 1 375.463 3.632 20 0 GHADMP C[C@@H]1[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1c1ccccc1 ZINC000366729030 921711993 /nfs/dbraw/zinc/71/19/93/921711993.db2.gz ULWWHRROVBXRBH-WUMKDDEVSA-N 2 1 397.607 3.691 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398405 912055167 /nfs/dbraw/zinc/05/51/67/912055167.db2.gz IWOQUABQHVTPOL-IPMKNSEASA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001182826044 912069879 /nfs/dbraw/zinc/06/98/79/912069879.db2.gz NMOHORVVAZGSPJ-CLOONOSVSA-N 2 1 378.560 3.853 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(C)C ZINC001182886759 912113788 /nfs/dbraw/zinc/11/37/88/912113788.db2.gz JAJONRCZZJHSJB-HXUWFJFHSA-N 2 1 379.976 3.930 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(C)C ZINC001182886759 912113797 /nfs/dbraw/zinc/11/37/97/912113797.db2.gz JAJONRCZZJHSJB-HXUWFJFHSA-N 2 1 379.976 3.930 20 0 GHADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000647213255 915085791 /nfs/dbraw/zinc/08/57/91/915085791.db2.gz XKNGMIHLLUFRKV-QFIPXVFZSA-N 2 1 396.579 3.558 20 0 GHADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000647213255 915085809 /nfs/dbraw/zinc/08/58/09/915085809.db2.gz XKNGMIHLLUFRKV-QFIPXVFZSA-N 2 1 396.579 3.558 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc(OC)c1OC ZINC000647344108 915163090 /nfs/dbraw/zinc/16/30/90/915163090.db2.gz JAAGTASRJVIIPQ-DBVUQKKJSA-N 2 1 384.520 3.708 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975815 915458073 /nfs/dbraw/zinc/45/80/73/915458073.db2.gz GKZXLMDZKKHMCB-ULQDDVLXSA-N 2 1 393.959 3.696 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977809 915460474 /nfs/dbraw/zinc/46/04/74/915460474.db2.gz HWJOXEKZFQDJKL-YZGWKJHDSA-N 2 1 383.536 3.664 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000647978359 915462119 /nfs/dbraw/zinc/46/21/19/915462119.db2.gz QIDZJMJDHFLBLW-IAGOWNOFSA-N 2 1 385.474 3.562 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000466837165 915622276 /nfs/dbraw/zinc/62/22/76/915622276.db2.gz WUCXWIBYMZGVCI-MJGOQNOKSA-N 2 1 392.613 3.527 20 0 GHADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000292362924 915636253 /nfs/dbraw/zinc/63/62/53/915636253.db2.gz YVNABOYLJWHDPE-NQIIRXRSSA-N 2 1 376.516 3.528 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000292369359 915639635 /nfs/dbraw/zinc/63/96/35/915639635.db2.gz ZBXVPJDXVMRKDF-NTUVXCKYSA-N 2 1 398.522 3.650 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000648726260 915841334 /nfs/dbraw/zinc/84/13/34/915841334.db2.gz DYLUVKXXYZKRSU-LJQANCHMSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000648764402 915870283 /nfs/dbraw/zinc/87/02/83/915870283.db2.gz LSOYOEXCESOPBB-LJQANCHMSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000648764402 915870296 /nfs/dbraw/zinc/87/02/96/915870296.db2.gz LSOYOEXCESOPBB-LJQANCHMSA-N 2 1 382.552 3.767 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000293276508 916098869 /nfs/dbraw/zinc/09/88/69/916098869.db2.gz COHLDQXCFHKFRK-FLPIEVNYSA-N 2 1 392.609 3.754 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000649330013 916102473 /nfs/dbraw/zinc/10/24/73/916102473.db2.gz PPMZQTNEIGIJFF-DENIHFKCSA-N 2 1 394.563 3.538 20 0 GHADMP CO[C@]1(C)CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@](C)(OC)CC3)c2)CC1 ZINC000649526044 916209258 /nfs/dbraw/zinc/20/92/58/916209258.db2.gz YHPFHUIYQLYBTA-ZRZAMGCNSA-N 2 1 389.584 3.864 20 0 GHADMP CO[C@]1(C)CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@](C)(OC)CC3)c2)CC1 ZINC000649526044 916209272 /nfs/dbraw/zinc/20/92/72/916209272.db2.gz YHPFHUIYQLYBTA-ZRZAMGCNSA-N 2 1 389.584 3.864 20 0 GHADMP CO[C@]1(C)CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@](C)(OC)CC3)c2)CC1 ZINC000649526044 916209299 /nfs/dbraw/zinc/20/92/99/916209299.db2.gz YHPFHUIYQLYBTA-ZRZAMGCNSA-N 2 1 389.584 3.864 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362077017 917064945 /nfs/dbraw/zinc/06/49/45/917064945.db2.gz ICOHZFULSBLHPV-IEBWSBKVSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000362077017 917064956 /nfs/dbraw/zinc/06/49/56/917064956.db2.gz ICOHZFULSBLHPV-IEBWSBKVSA-N 2 1 389.341 3.660 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OCC(C)C ZINC000650705393 917242354 /nfs/dbraw/zinc/24/23/54/917242354.db2.gz GBUSUTTWPRODOX-ONTIZHBOSA-N 2 1 390.568 3.838 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2Br)C1 ZINC000650723325 917250749 /nfs/dbraw/zinc/25/07/49/917250749.db2.gz LJFZNOKBIOIAIW-OIISXLGYSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2Br)C1 ZINC000650723325 917250756 /nfs/dbraw/zinc/25/07/56/917250756.db2.gz LJFZNOKBIOIAIW-OIISXLGYSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C2 ZINC000652351588 917877407 /nfs/dbraw/zinc/87/74/07/917877407.db2.gz IVXOFYVUTPMFMO-CVAIRZPRSA-N 2 1 396.362 3.718 20 0 GHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C2 ZINC000652351588 917877417 /nfs/dbraw/zinc/87/74/17/917877417.db2.gz IVXOFYVUTPMFMO-CVAIRZPRSA-N 2 1 396.362 3.718 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000296346929 918164390 /nfs/dbraw/zinc/16/43/90/918164390.db2.gz HGAFQYCKNJPRRR-AZUAARDMSA-N 2 1 385.939 3.859 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H]([N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000653617223 918360573 /nfs/dbraw/zinc/36/05/73/918360573.db2.gz MMCYJIUZAPTDAL-FYYLOGMGSA-N 2 1 392.547 3.974 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(N)=O ZINC000296600781 918447902 /nfs/dbraw/zinc/44/79/02/918447902.db2.gz VOSUNDDGPJJQFB-KJJMTIBFSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(N)=O ZINC000296600781 918447907 /nfs/dbraw/zinc/44/79/07/918447907.db2.gz VOSUNDDGPJJQFB-KJJMTIBFSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(N)=O ZINC000296600781 918447917 /nfs/dbraw/zinc/44/79/17/918447917.db2.gz VOSUNDDGPJJQFB-KJJMTIBFSA-N 2 1 383.580 3.796 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000297222717 919160216 /nfs/dbraw/zinc/16/02/16/919160216.db2.gz ZUZBYVNRVWRBOT-NOTZXAQLSA-N 2 1 377.532 3.674 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000297222717 919160218 /nfs/dbraw/zinc/16/02/18/919160218.db2.gz ZUZBYVNRVWRBOT-NOTZXAQLSA-N 2 1 377.532 3.674 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000297222717 919160223 /nfs/dbraw/zinc/16/02/23/919160223.db2.gz ZUZBYVNRVWRBOT-NOTZXAQLSA-N 2 1 377.532 3.674 20 0 GHADMP C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403274 919416772 /nfs/dbraw/zinc/41/67/72/919416772.db2.gz ABKCTKGXUSLIBR-JPYJTQIMSA-N 2 1 379.548 3.570 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2nc(Cl)ccc21 ZINC000297926509 919968677 /nfs/dbraw/zinc/96/86/77/919968677.db2.gz XKHBCARQTLTPFG-YSIASYRMSA-N 2 1 385.939 3.585 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1)C[C@H]1CCCCO1 ZINC000901319721 921015293 /nfs/dbraw/zinc/01/52/93/921015293.db2.gz KWEHUFOKBDQYAP-OAQYLSRUSA-N 2 1 385.552 3.500 20 0 GHADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000902333827 922097046 /nfs/dbraw/zinc/09/70/46/922097046.db2.gz OWXCDRZFDXGLDL-PZJWPPBQSA-N 2 1 386.561 3.547 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902395619 922159665 /nfs/dbraw/zinc/15/96/65/922159665.db2.gz CUCPVIFFOFSEFM-HNNXBMFYSA-N 2 1 376.373 3.677 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903083784 922758882 /nfs/dbraw/zinc/75/88/82/922758882.db2.gz NKTQTVSCYKTWSM-BRTIRZTQSA-N 3 1 383.580 3.655 20 0 GHADMP CC1(C)CC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000368589328 922762711 /nfs/dbraw/zinc/76/27/11/922762711.db2.gz IJPHCJQZNHUBEI-QGZVFWFLSA-N 2 1 386.584 3.919 20 0 GHADMP CCc1nc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cs1 ZINC000903092028 922765879 /nfs/dbraw/zinc/76/58/79/922765879.db2.gz GAJGATKGYSRARS-PRJVBOEPSA-N 3 1 388.625 3.665 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC2)cs1 ZINC000903092028 922765890 /nfs/dbraw/zinc/76/58/90/922765890.db2.gz GAJGATKGYSRARS-PRJVBOEPSA-N 3 1 388.625 3.665 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cs1 ZINC000903092028 922765903 /nfs/dbraw/zinc/76/59/03/922765903.db2.gz GAJGATKGYSRARS-PRJVBOEPSA-N 3 1 388.625 3.665 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903175107 922833039 /nfs/dbraw/zinc/83/30/39/922833039.db2.gz PTMFDBNSSMPRAN-ZCTYVAAUSA-N 2 1 375.557 3.523 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]cn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090826 923104762 /nfs/dbraw/zinc/10/47/62/923104762.db2.gz GQSQPAMBPVQAJC-KXBFYZLASA-N 2 1 394.441 3.560 20 0 GHADMP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090826 923104769 /nfs/dbraw/zinc/10/47/69/923104769.db2.gz GQSQPAMBPVQAJC-KXBFYZLASA-N 2 1 394.441 3.560 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCc2cnc[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090826 923104774 /nfs/dbraw/zinc/10/47/74/923104774.db2.gz GQSQPAMBPVQAJC-KXBFYZLASA-N 2 1 394.441 3.560 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000748847469 923859162 /nfs/dbraw/zinc/85/91/62/923859162.db2.gz YHPQWOFWCIUGBZ-HXUWFJFHSA-N 2 1 375.601 3.802 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@H]1C ZINC000748958114 923955600 /nfs/dbraw/zinc/95/56/00/923955600.db2.gz DGUNUPRDELLYNI-WIYYLYMNSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000677128980 924252041 /nfs/dbraw/zinc/25/20/41/924252041.db2.gz HWFIAOYOZHPNKU-SIKLNZKXSA-N 2 1 391.559 3.969 20 0 GHADMP CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000677229745 924291981 /nfs/dbraw/zinc/29/19/81/924291981.db2.gz FSEMGIADHGZRRR-JOCHJYFZSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)CC1 ZINC000371334117 924531641 /nfs/dbraw/zinc/53/16/41/924531641.db2.gz XHKKYUWCLOOBIE-INIZCTEOSA-N 2 1 387.902 3.542 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)CC1 ZINC000371334117 924531647 /nfs/dbraw/zinc/53/16/47/924531647.db2.gz XHKKYUWCLOOBIE-INIZCTEOSA-N 2 1 387.902 3.542 20 0 GHADMP C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371349480 924538316 /nfs/dbraw/zinc/53/83/16/924538316.db2.gz JAJWEMWZUHBUQX-HNAYVOBHSA-N 2 1 392.469 3.716 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371349479 924538366 /nfs/dbraw/zinc/53/83/66/924538366.db2.gz JAJWEMWZUHBUQX-DNVCBOLYSA-N 2 1 392.469 3.716 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000678020398 924585334 /nfs/dbraw/zinc/58/53/34/924585334.db2.gz OHQVBGVKUVOHCX-MOPGFXCFSA-N 2 1 383.536 3.856 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000678020398 924585336 /nfs/dbraw/zinc/58/53/36/924585336.db2.gz OHQVBGVKUVOHCX-MOPGFXCFSA-N 2 1 383.536 3.856 20 0 GHADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccc2c(c1)OCCO2 ZINC000678124101 924619227 /nfs/dbraw/zinc/61/92/27/924619227.db2.gz SDDAMZGHKIDOMH-UHFFFAOYSA-N 2 1 382.504 3.564 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1[nH]c(C)cc1C)CC2 ZINC001137324419 924678147 /nfs/dbraw/zinc/67/81/47/924678147.db2.gz RRVAKXPHJJORSG-OAQYLSRUSA-N 2 1 382.552 3.530 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000678258923 924692902 /nfs/dbraw/zinc/69/29/02/924692902.db2.gz RVQNKAOMDGIKLV-XMMPIXPASA-N 2 1 378.564 3.666 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000678258923 924692909 /nfs/dbraw/zinc/69/29/09/924692909.db2.gz RVQNKAOMDGIKLV-XMMPIXPASA-N 2 1 378.564 3.666 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000371644645 924741886 /nfs/dbraw/zinc/74/18/86/924741886.db2.gz CFZNNQJTWCUWDP-WOIUINJBSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000371644645 924741892 /nfs/dbraw/zinc/74/18/92/924741892.db2.gz CFZNNQJTWCUWDP-WOIUINJBSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000371644645 924741897 /nfs/dbraw/zinc/74/18/97/924741897.db2.gz CFZNNQJTWCUWDP-WOIUINJBSA-N 2 1 384.568 3.504 20 0 GHADMP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400095 925124535 /nfs/dbraw/zinc/12/45/35/925124535.db2.gz KWMKVYKADOJKKT-CWKRKGSWSA-N 2 1 381.564 3.705 20 0 GHADMP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400095 925124540 /nfs/dbraw/zinc/12/45/40/925124540.db2.gz KWMKVYKADOJKKT-CWKRKGSWSA-N 2 1 381.564 3.705 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679994050 925326504 /nfs/dbraw/zinc/32/65/04/925326504.db2.gz FRMLEOZOZGJBKJ-CKICMJPISA-N 2 1 381.923 3.602 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679994050 925326509 /nfs/dbraw/zinc/32/65/09/925326509.db2.gz FRMLEOZOZGJBKJ-CKICMJPISA-N 2 1 381.923 3.602 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000680404876 925469923 /nfs/dbraw/zinc/46/99/23/925469923.db2.gz NOPDPJWNNQAHNJ-LQWHRVPQSA-N 2 1 391.515 3.863 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000680404876 925469929 /nfs/dbraw/zinc/46/99/29/925469929.db2.gz NOPDPJWNNQAHNJ-LQWHRVPQSA-N 2 1 391.515 3.863 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000410345448 925555151 /nfs/dbraw/zinc/55/51/51/925555151.db2.gz BEOQJQJVXXEEDU-OFNKIYASSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000410351120 925564239 /nfs/dbraw/zinc/56/42/39/925564239.db2.gz DMDJTBKOOKSTKH-OFNKIYASSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000410347664 925567519 /nfs/dbraw/zinc/56/75/19/925567519.db2.gz OXJPPSKGPJUYEU-HXUWFJFHSA-N 2 1 398.595 3.831 20 0 GHADMP CN(C(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000411686189 926643022 /nfs/dbraw/zinc/64/30/22/926643022.db2.gz CTCOPFJJGMGCDV-QFIPXVFZSA-N 2 1 379.548 3.930 20 0 GHADMP CN(C(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000411686189 926643024 /nfs/dbraw/zinc/64/30/24/926643024.db2.gz CTCOPFJJGMGCDV-QFIPXVFZSA-N 2 1 379.548 3.930 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000411761123 926742325 /nfs/dbraw/zinc/74/23/25/926742325.db2.gz XQUHZQGJGQSHIO-LJQANCHMSA-N 2 1 384.351 3.635 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1Cl ZINC000412302512 927313724 /nfs/dbraw/zinc/31/37/24/927313724.db2.gz DIFGTIZLJBWOLY-KRWDZBQOSA-N 2 1 381.973 3.558 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(C)C ZINC000750605708 927745010 /nfs/dbraw/zinc/74/50/10/927745010.db2.gz LZLIMHKILDTWSN-UHFFFAOYSA-N 2 1 394.563 3.678 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](c3ccc4[nH]c(=O)oc4c3)C(C)C)CC2)nc(C)[nH+]1 ZINC000374974311 927762511 /nfs/dbraw/zinc/76/25/11/927762511.db2.gz YILRYWPHWIXXPA-NRFANRHFSA-N 2 1 395.507 3.896 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000543869610 928514688 /nfs/dbraw/zinc/51/46/88/928514688.db2.gz BSFVOHKSAPSAHE-JOCHJYFZSA-N 2 1 389.559 3.979 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000467174317 928787911 /nfs/dbraw/zinc/78/79/11/928787911.db2.gz UJGXSEIONULLEJ-QGZVFWFLSA-N 2 1 393.597 3.558 20 0 GHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000467347695 928983217 /nfs/dbraw/zinc/98/32/17/928983217.db2.gz BOGPDLPKVPELMX-KKSFZXQISA-N 2 1 392.465 3.993 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753545850 929404069 /nfs/dbraw/zinc/40/40/69/929404069.db2.gz WPKDSBKPMWULFH-FQEVSTJZSA-N 2 1 397.523 3.550 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCCC1(C)C ZINC000469313774 929784851 /nfs/dbraw/zinc/78/48/51/929784851.db2.gz ZANAGKITORWPJO-NRFANRHFSA-N 2 1 377.617 3.858 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@H]12 ZINC000469882388 930233683 /nfs/dbraw/zinc/23/36/83/930233683.db2.gz RFNNZWMVPYDFJR-UHOFOFEASA-N 2 1 378.339 3.742 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1F ZINC000759043110 930254796 /nfs/dbraw/zinc/25/47/96/930254796.db2.gz HDVFQHSTISQSBD-LJQANCHMSA-N 2 1 377.822 3.936 20 0 GHADMP CCC[N@@H+](Cc1cc(Br)c(OC)c(OCC)c1)C1CC[NH2+]CC1 ZINC000470002198 930307775 /nfs/dbraw/zinc/30/77/75/930307775.db2.gz DYKPCMLJOGLKKZ-UHFFFAOYSA-N 2 1 385.346 3.820 20 0 GHADMP CC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000546759023 930408387 /nfs/dbraw/zinc/40/83/87/930408387.db2.gz YLVFZBYNPLQHDT-OAQYLSRUSA-N 2 1 386.584 3.555 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000781423404 930839799 /nfs/dbraw/zinc/83/97/99/930839799.db2.gz PTGNIZLQLOETEB-XHIHJMKYSA-N 2 1 386.486 3.889 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000781425420 930840889 /nfs/dbraw/zinc/84/08/89/930840889.db2.gz ILZZGIYBCLQGRH-JXKFMYIUSA-N 2 1 385.596 3.519 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967922 931064293 /nfs/dbraw/zinc/06/42/93/931064293.db2.gz KZWJRMDKVDSSJG-IFMALSPDSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470967922 931064313 /nfs/dbraw/zinc/06/43/13/931064313.db2.gz KZWJRMDKVDSSJG-IFMALSPDSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967922 931064322 /nfs/dbraw/zinc/06/43/22/931064322.db2.gz KZWJRMDKVDSSJG-IFMALSPDSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470967922 931064328 /nfs/dbraw/zinc/06/43/28/931064328.db2.gz KZWJRMDKVDSSJG-IFMALSPDSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470967922 931064338 /nfs/dbraw/zinc/06/43/38/931064338.db2.gz KZWJRMDKVDSSJG-IFMALSPDSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967924 931064669 /nfs/dbraw/zinc/06/46/69/931064669.db2.gz KZWJRMDKVDSSJG-RBBKRZOGSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470967924 931064678 /nfs/dbraw/zinc/06/46/78/931064678.db2.gz KZWJRMDKVDSSJG-RBBKRZOGSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967924 931064680 /nfs/dbraw/zinc/06/46/80/931064680.db2.gz KZWJRMDKVDSSJG-RBBKRZOGSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470967924 931064682 /nfs/dbraw/zinc/06/46/82/931064682.db2.gz KZWJRMDKVDSSJG-RBBKRZOGSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470967924 931064688 /nfs/dbraw/zinc/06/46/88/931064688.db2.gz KZWJRMDKVDSSJG-RBBKRZOGSA-N 2 1 388.596 3.696 20 0 GHADMP C[C@H]([NH2+]C1(CNc2cc[nH+]cc2Br)CCOCC1)c1ccccc1 ZINC000547504051 931077515 /nfs/dbraw/zinc/07/75/15/931077515.db2.gz NYTNTKJSLDYNSB-HNNXBMFYSA-N 2 1 390.325 3.578 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OCCO ZINC000547505564 931079759 /nfs/dbraw/zinc/07/97/59/931079759.db2.gz ZLHTXPQRBZNKRT-CNNODRBYSA-N 2 1 398.547 3.628 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000187284669 931379853 /nfs/dbraw/zinc/37/98/53/931379853.db2.gz PFBZOHAJHNWQSW-XMSQKQJNSA-N 2 1 377.532 3.738 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000187284669 931379860 /nfs/dbraw/zinc/37/98/60/931379860.db2.gz PFBZOHAJHNWQSW-XMSQKQJNSA-N 2 1 377.532 3.738 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1 ZINC000557483460 931462924 /nfs/dbraw/zinc/46/29/24/931462924.db2.gz NPIIZIRWTLEHEI-UHFFFAOYSA-N 2 1 386.499 3.958 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccnn1CC1CCC1 ZINC000924776359 931533418 /nfs/dbraw/zinc/53/34/18/931533418.db2.gz LUQXZCGJVVAOEU-RTBURBONSA-N 2 1 382.552 3.755 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccnn1CC1CCC1 ZINC000924776359 931533420 /nfs/dbraw/zinc/53/34/20/931533420.db2.gz LUQXZCGJVVAOEU-RTBURBONSA-N 2 1 382.552 3.755 20 0 GHADMP O=C(C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000558466782 932018601 /nfs/dbraw/zinc/01/86/01/932018601.db2.gz RAZMTFBVQUQNMC-HXUWFJFHSA-N 2 1 396.362 3.777 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000796976815 932133363 /nfs/dbraw/zinc/13/33/63/932133363.db2.gz FNLRJPUTUPEUSI-HXOBKFHXSA-N 2 1 379.504 3.580 20 0 GHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)ccc1OC ZINC000797099855 932182194 /nfs/dbraw/zinc/18/21/94/932182194.db2.gz DYCIVORHWSELFC-KRWDZBQOSA-N 2 1 396.597 3.545 20 0 GHADMP Cn1ccnc1[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000926553702 932226858 /nfs/dbraw/zinc/22/68/58/932226858.db2.gz AFUKUBDIWBOPRH-FYDVADAXSA-N 2 1 394.563 3.816 20 0 GHADMP Cc1[nH+]ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1Cl ZINC000558974649 932347566 /nfs/dbraw/zinc/34/75/66/932347566.db2.gz STFVYECJSZUIJP-LJQANCHMSA-N 2 1 385.939 3.806 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048984 932395033 /nfs/dbraw/zinc/39/50/33/932395033.db2.gz AYJCALXZKRZYFS-AVRDEDQJSA-N 2 1 389.559 3.932 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000927130325 932426374 /nfs/dbraw/zinc/42/63/74/932426374.db2.gz UTQFFALDTQUINU-RZJSWYKGSA-N 2 1 399.579 3.828 20 0 GHADMP C[C@@]1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798344147 932606410 /nfs/dbraw/zinc/60/64/10/932606410.db2.gz BFDGEVJGUBVPGG-QHCPKHFHSA-N 2 1 386.584 3.507 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524836 932688264 /nfs/dbraw/zinc/68/82/64/932688264.db2.gz FJDOKSATIDRTAP-UPVQGACJSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524836 932688269 /nfs/dbraw/zinc/68/82/69/932688269.db2.gz FJDOKSATIDRTAP-UPVQGACJSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524836 932688279 /nfs/dbraw/zinc/68/82/79/932688279.db2.gz FJDOKSATIDRTAP-UPVQGACJSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000798525738 932690401 /nfs/dbraw/zinc/69/04/01/932690401.db2.gz CPSCLZOIKZRBIY-GMAHTHKFSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000798525738 932690403 /nfs/dbraw/zinc/69/04/03/932690403.db2.gz CPSCLZOIKZRBIY-GMAHTHKFSA-N 2 1 399.966 3.971 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)CC2)[nH+]c1 ZINC000928011526 932762949 /nfs/dbraw/zinc/76/29/49/932762949.db2.gz VSCXAGYZZAWYLW-UHFFFAOYSA-N 2 1 384.568 3.520 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935491 932823592 /nfs/dbraw/zinc/82/35/92/932823592.db2.gz PNJXGBKIGGCFPL-MIZPHKNDSA-N 2 1 387.568 3.934 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000559743576 932831851 /nfs/dbraw/zinc/83/18/51/932831851.db2.gz PYPKHYVFCXXQTQ-VXNXHJTFSA-N 2 1 397.538 3.624 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000559743576 932831857 /nfs/dbraw/zinc/83/18/57/932831857.db2.gz PYPKHYVFCXXQTQ-VXNXHJTFSA-N 2 1 397.538 3.624 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000798955030 932837353 /nfs/dbraw/zinc/83/73/53/932837353.db2.gz IQVFORJEHDYRHV-JOCHJYFZSA-N 2 1 381.545 3.602 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](c3ccc(Cl)cc3)C3CCOCC3)C2)CC1 ZINC000559774220 932846343 /nfs/dbraw/zinc/84/63/43/932846343.db2.gz NVEPAIRLQSVVRL-FGZHOGPDSA-N 2 1 391.987 3.520 20 0 GHADMP COC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000559857529 932911837 /nfs/dbraw/zinc/91/18/37/932911837.db2.gz QVBBFXUVBJXXDJ-NHTMILBNSA-N 2 1 380.532 3.526 20 0 GHADMP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000559857529 932911841 /nfs/dbraw/zinc/91/18/41/932911841.db2.gz QVBBFXUVBJXXDJ-NHTMILBNSA-N 2 1 380.532 3.526 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4ocnc4C)cc3)CC2)CC1 ZINC000928818779 933119991 /nfs/dbraw/zinc/11/99/91/933119991.db2.gz HKICXJIIGPMYCS-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)[C@@H](C)C1 ZINC000560524559 933310682 /nfs/dbraw/zinc/31/06/82/933310682.db2.gz FYUDJRMQUCCEQY-QRFRQXIXSA-N 2 1 378.557 3.800 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000560585115 933361856 /nfs/dbraw/zinc/36/18/56/933361856.db2.gz QMNZDAUPZINIJI-NEWSRXKRSA-N 2 1 394.401 3.965 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000560585115 933361866 /nfs/dbraw/zinc/36/18/66/933361866.db2.gz QMNZDAUPZINIJI-NEWSRXKRSA-N 2 1 394.401 3.965 20 0 GHADMP Cc1ccncc1CCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000560598182 933373438 /nfs/dbraw/zinc/37/34/38/933373438.db2.gz RYHKTNMSGAHGMQ-DEOSSOPVSA-N 2 1 393.575 3.841 20 0 GHADMP Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)ccc2c[nH+]cn21 ZINC001116487524 933587220 /nfs/dbraw/zinc/58/72/20/933587220.db2.gz SDLMDOFDWUFHMW-QGZVFWFLSA-N 2 1 376.504 3.947 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001117713329 933992309 /nfs/dbraw/zinc/99/23/09/933992309.db2.gz JRSAWVSJHKILMZ-VMTQICNPSA-N 2 1 398.595 3.744 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001117713328 933992812 /nfs/dbraw/zinc/99/28/12/933992812.db2.gz JRSAWVSJHKILMZ-NKVGBNCSSA-N 2 1 398.595 3.744 20 0 GHADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(C)n1 ZINC000561278634 934013942 /nfs/dbraw/zinc/01/39/42/934013942.db2.gz NTZZVQHGDXPJBQ-GCJKJVERSA-N 2 1 394.563 3.673 20 0 GHADMP c1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(C[NH+]5CCOCC5)cc4)C3)nc2c1 ZINC001118050869 934082886 /nfs/dbraw/zinc/08/28/86/934082886.db2.gz ROBIUQLWVRGKQO-NRFANRHFSA-N 2 1 390.531 3.775 20 0 GHADMP c1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(C[NH+]5CCOCC5)cc4)C3)nc2c1 ZINC001118050869 934082891 /nfs/dbraw/zinc/08/28/91/934082891.db2.gz ROBIUQLWVRGKQO-NRFANRHFSA-N 2 1 390.531 3.775 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc(-c5cncnc5)c4)C[C@H]3C2)c1 ZINC001137765874 935778659 /nfs/dbraw/zinc/77/86/59/935778659.db2.gz OBPTYDMQPGKFQT-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc(-c5cncnc5)c4)C[C@H]3C2)c1 ZINC001137765874 935778661 /nfs/dbraw/zinc/77/86/61/935778661.db2.gz OBPTYDMQPGKFQT-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc(-c5cncnc5)c4)C[C@H]3C2)c1 ZINC001137765874 935778663 /nfs/dbraw/zinc/77/86/63/935778663.db2.gz OBPTYDMQPGKFQT-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc(-c5cncnc5)c4)C[C@H]3C2)c1 ZINC001137765874 935778666 /nfs/dbraw/zinc/77/86/66/935778666.db2.gz OBPTYDMQPGKFQT-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001137945754 935885202 /nfs/dbraw/zinc/88/52/02/935885202.db2.gz XVTVYBLOWCHIME-XLSPSMHOSA-N 2 1 395.950 3.709 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC001626111794 1014922995 /nfs/dbraw/zinc/92/29/95/1014922995.db2.gz SHCLSVNNDGYUDQ-QFBILLFUSA-N 2 1 399.501 3.936 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)c1ccccc1 ZINC001220777377 1032116825 /nfs/dbraw/zinc/11/68/25/1032116825.db2.gz OKIBEZQNMIUKKA-JRFVFWCSSA-N 2 1 377.532 3.780 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)c1ccccc1 ZINC001220777377 1032116837 /nfs/dbraw/zinc/11/68/37/1032116837.db2.gz OKIBEZQNMIUKKA-JRFVFWCSSA-N 2 1 377.532 3.780 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1)CC1CC1 ZINC000545448543 1015882168 /nfs/dbraw/zinc/88/21/68/1015882168.db2.gz RRWCXODZGPGCCL-UHFFFAOYSA-N 2 1 392.632 3.652 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545457615 1015892950 /nfs/dbraw/zinc/89/29/50/1015892950.db2.gz HJGINIJHASWACH-FCHUYYIVSA-N 2 1 387.955 3.845 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000468828217 1016077576 /nfs/dbraw/zinc/07/75/76/1016077576.db2.gz DLMJQBRUSHLDHU-OYRHEFFESA-N 2 1 385.596 3.710 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000468895513 1016182975 /nfs/dbraw/zinc/18/29/75/1016182975.db2.gz IKNPGYQJUNLLOF-OALUTQOASA-N 2 1 384.568 3.536 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000469765645 1016617743 /nfs/dbraw/zinc/61/77/43/1016617743.db2.gz USIXMMKDMJKQIZ-BRLLKYFNSA-N 2 1 387.474 3.650 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000469765645 1016617746 /nfs/dbraw/zinc/61/77/46/1016617746.db2.gz USIXMMKDMJKQIZ-BRLLKYFNSA-N 2 1 387.474 3.650 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000470116529 1016725752 /nfs/dbraw/zinc/72/57/52/1016725752.db2.gz GKMRZYAWIVACHP-SFHVURJKSA-N 2 1 384.524 3.756 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000470116529 1016725766 /nfs/dbraw/zinc/72/57/66/1016725766.db2.gz GKMRZYAWIVACHP-SFHVURJKSA-N 2 1 384.524 3.756 20 0 GHADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccns1 ZINC000925139216 1017042196 /nfs/dbraw/zinc/04/21/96/1017042196.db2.gz KHUKUKDUTGVQQI-ZDUSSCGKSA-N 2 1 384.471 3.765 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001220859709 1032157312 /nfs/dbraw/zinc/15/73/12/1032157312.db2.gz KGLWOXSDUDHYIE-COPCDDAFSA-N 2 1 393.575 3.976 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001221064755 1032262623 /nfs/dbraw/zinc/26/26/23/1032262623.db2.gz QJCAWEWHVJMRFG-PMOQBDJRSA-N 2 1 394.563 3.642 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4c(n3)CCCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357759 1032516357 /nfs/dbraw/zinc/51/63/57/1032516357.db2.gz JQKAHNPZQPAHJO-JOCHJYFZSA-N 2 1 390.575 3.874 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H](CNc3ccc4c([nH+]3)CCCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357759 1032516360 /nfs/dbraw/zinc/51/63/60/1032516360.db2.gz JQKAHNPZQPAHJO-JOCHJYFZSA-N 3 1 390.575 3.874 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4c([nH+]3)CCCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357759 1032516365 /nfs/dbraw/zinc/51/63/65/1032516365.db2.gz JQKAHNPZQPAHJO-JOCHJYFZSA-N 3 1 390.575 3.874 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001221776689 1032531898 /nfs/dbraw/zinc/53/18/98/1032531898.db2.gz ZUAHGFARWAAFRT-FSSWDIPSSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001204180980 1032632181 /nfs/dbraw/zinc/63/21/81/1032632181.db2.gz YHAYTXUXTFCVBQ-DEOSSOPVSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001204180980 1032632189 /nfs/dbraw/zinc/63/21/89/1032632189.db2.gz YHAYTXUXTFCVBQ-DEOSSOPVSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001204180980 1032632199 /nfs/dbraw/zinc/63/21/99/1032632199.db2.gz YHAYTXUXTFCVBQ-DEOSSOPVSA-N 2 1 399.579 3.841 20 0 GHADMP COc1cccc(OC)c1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001204249535 1032690428 /nfs/dbraw/zinc/69/04/28/1032690428.db2.gz LXLBELZPRNETMS-UHFFFAOYSA-N 2 1 395.547 3.975 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204263423 1032706451 /nfs/dbraw/zinc/70/64/51/1032706451.db2.gz LMNSRPPJUGYMPU-JOCHJYFZSA-N 2 1 376.541 3.572 20 0 GHADMP COc1cc2c(cc1OC)C[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204269253 1032713729 /nfs/dbraw/zinc/71/37/29/1032713729.db2.gz YJSCUZJBAUGLNA-UHFFFAOYSA-N 2 1 384.520 3.593 20 0 GHADMP COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204269253 1032713734 /nfs/dbraw/zinc/71/37/34/1032713734.db2.gz YJSCUZJBAUGLNA-UHFFFAOYSA-N 2 1 384.520 3.593 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433263 1017978599 /nfs/dbraw/zinc/97/85/99/1017978599.db2.gz VOAPVAJTDJUQEH-VHDGCEQUSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433263 1017978601 /nfs/dbraw/zinc/97/86/01/1017978601.db2.gz VOAPVAJTDJUQEH-VHDGCEQUSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433263 1017978605 /nfs/dbraw/zinc/97/86/05/1017978605.db2.gz VOAPVAJTDJUQEH-VHDGCEQUSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433263 1017978611 /nfs/dbraw/zinc/97/86/11/1017978611.db2.gz VOAPVAJTDJUQEH-VHDGCEQUSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433263 1017978618 /nfs/dbraw/zinc/97/86/18/1017978618.db2.gz VOAPVAJTDJUQEH-VHDGCEQUSA-N 2 1 380.414 3.700 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C[C@H](C)O1 ZINC000561979876 1017996818 /nfs/dbraw/zinc/99/68/18/1017996818.db2.gz ICSSQDAVQYYDPX-IRXDYDNUSA-N 2 1 382.495 3.714 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000562745707 1018594594 /nfs/dbraw/zinc/59/45/94/1018594594.db2.gz IJLSGSWNJLEVKJ-YOFSQIOKSA-N 2 1 381.524 3.802 20 0 GHADMP C[C@H](C[NH+](C)C)Nc1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001155921130 1032794233 /nfs/dbraw/zinc/79/42/33/1032794233.db2.gz KCWYHCTXQNGGCR-OAHLLOKOSA-N 2 1 387.597 3.774 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000564971275 1019131961 /nfs/dbraw/zinc/13/19/61/1019131961.db2.gz UMPYMXRRSKZQIW-RTBURBONSA-N 2 1 379.552 3.882 20 0 GHADMP CCCn1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000567760438 1019340028 /nfs/dbraw/zinc/34/00/28/1019340028.db2.gz CIDNZXYTIXKCKB-QHCPKHFHSA-N 2 1 381.564 3.917 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000568738833 1019445080 /nfs/dbraw/zinc/44/50/80/1019445080.db2.gz YIMLMLCIDIZROD-QFIPXVFZSA-N 2 1 382.552 3.601 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[NH+](CC)CC)cc1 ZINC000571576647 1019687915 /nfs/dbraw/zinc/68/79/15/1019687915.db2.gz OSIVZGNLWFRBQV-IFMALSPDSA-N 2 1 382.552 3.516 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000574232602 1019855414 /nfs/dbraw/zinc/85/54/14/1019855414.db2.gz AAWBDEODOVHXMK-VGSWGCGISA-N 2 1 397.588 3.574 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000574232602 1019855419 /nfs/dbraw/zinc/85/54/19/1019855419.db2.gz AAWBDEODOVHXMK-VGSWGCGISA-N 2 1 397.588 3.574 20 0 GHADMP C[N@@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CCC[NH+](C)C1 ZINC001204431685 1032866895 /nfs/dbraw/zinc/86/68/95/1032866895.db2.gz QCPGKJMFOFJEFQ-MRXNPFEDSA-N 2 1 393.597 3.815 20 0 GHADMP C[N@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CCC[NH+](C)C1 ZINC001204431685 1032866918 /nfs/dbraw/zinc/86/69/18/1032866918.db2.gz QCPGKJMFOFJEFQ-MRXNPFEDSA-N 2 1 393.597 3.815 20 0 GHADMP C[NH+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CCC[N@H+](C)C1 ZINC001204431685 1032866932 /nfs/dbraw/zinc/86/69/32/1032866932.db2.gz QCPGKJMFOFJEFQ-MRXNPFEDSA-N 2 1 393.597 3.815 20 0 GHADMP C[NH+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CCC[N@@H+](C)C1 ZINC001204431685 1032866949 /nfs/dbraw/zinc/86/69/49/1032866949.db2.gz QCPGKJMFOFJEFQ-MRXNPFEDSA-N 2 1 393.597 3.815 20 0 GHADMP Clc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001204445674 1032884553 /nfs/dbraw/zinc/88/45/53/1032884553.db2.gz LVVMNRRETCWXSN-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)nc1 ZINC001156220764 1032929528 /nfs/dbraw/zinc/92/95/28/1032929528.db2.gz GYOCDEHPLUFLKN-QFIPXVFZSA-N 2 1 389.547 3.982 20 0 GHADMP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000630033323 1020793790 /nfs/dbraw/zinc/79/37/90/1020793790.db2.gz VPPIYWGLSKCDDZ-XXBNENTESA-N 2 1 377.532 3.511 20 0 GHADMP C[C@H](c1ccccc1)N1CCN(C(=O)CN(C)[C@H]2CCc3ccccc32)CC1 ZINC000630033323 1020793797 /nfs/dbraw/zinc/79/37/97/1020793797.db2.gz VPPIYWGLSKCDDZ-XXBNENTESA-N 2 1 377.532 3.511 20 0 GHADMP Fc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc(F)c1F ZINC001204525622 1032950839 /nfs/dbraw/zinc/95/08/39/1032950839.db2.gz JKEVQWGCBQZRCP-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP Fc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc(F)c1F ZINC001204525622 1032950843 /nfs/dbraw/zinc/95/08/43/1032950843.db2.gz JKEVQWGCBQZRCP-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000834578347 1021278525 /nfs/dbraw/zinc/27/85/25/1021278525.db2.gz MBWJIQOTIAAGIK-MOUTVQLLSA-N 2 1 380.532 3.761 20 0 GHADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001626147456 1021281569 /nfs/dbraw/zinc/28/15/69/1021281569.db2.gz CLGZHMFXUDIYJB-QFIPXVFZSA-N 2 1 399.604 3.593 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2c1 ZINC001140430849 1021685878 /nfs/dbraw/zinc/68/58/78/1021685878.db2.gz XKUXXJOYDHJDLK-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP c1c2ccccc2[nH]c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001137317079 1021899515 /nfs/dbraw/zinc/89/95/15/1021899515.db2.gz BHBSZRAJMCQOQT-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP C[C@@H](Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)C1CC[NH+](C)CC1 ZINC000679087238 1021959480 /nfs/dbraw/zinc/95/94/80/1021959480.db2.gz SUXQYODCLBCRLY-DLBZAZTESA-N 2 1 390.547 3.781 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679338275 1021990483 /nfs/dbraw/zinc/99/04/83/1021990483.db2.gz CFJHSDUDZRBQQQ-LZQZEXGQSA-N 2 1 381.358 3.991 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000679338275 1021990488 /nfs/dbraw/zinc/99/04/88/1021990488.db2.gz CFJHSDUDZRBQQQ-LZQZEXGQSA-N 2 1 381.358 3.991 20 0 GHADMP CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803266 1022574132 /nfs/dbraw/zinc/57/41/32/1022574132.db2.gz NUVHDGJECMCJJL-FQEVSTJZSA-N 2 1 388.515 3.934 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001140803347 1022574746 /nfs/dbraw/zinc/57/47/46/1022574746.db2.gz OSABBSLHPDKWAG-DHIUTWEWSA-N 2 1 392.503 3.546 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001140803347 1022574747 /nfs/dbraw/zinc/57/47/47/1022574747.db2.gz OSABBSLHPDKWAG-DHIUTWEWSA-N 2 1 392.503 3.546 20 0 GHADMP Fc1cccnc1OC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803946 1022575880 /nfs/dbraw/zinc/57/58/80/1022575880.db2.gz WPEFGOJMFLPCKJ-IFMALSPDSA-N 2 1 396.466 3.547 20 0 GHADMP Fc1cccnc1OC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803946 1022575889 /nfs/dbraw/zinc/57/58/89/1022575889.db2.gz WPEFGOJMFLPCKJ-IFMALSPDSA-N 2 1 396.466 3.547 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3cccc4c3OCC[C@H]4[NH+](C)C)cc2)CC1 ZINC001204758604 1033073088 /nfs/dbraw/zinc/07/30/88/1033073088.db2.gz GSIODURDYZHEOV-JOCHJYFZSA-N 2 1 380.536 3.563 20 0 GHADMP FC(F)Oc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001204829557 1033112275 /nfs/dbraw/zinc/11/22/75/1033112275.db2.gz UDANAVUTQFXVAH-UHFFFAOYSA-N 2 1 390.478 3.529 20 0 GHADMP COc1ccc(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c(OCc2ccccc2)c1 ZINC001204853555 1033121509 /nfs/dbraw/zinc/12/15/09/1033121509.db2.gz NKHGDPANAMRWLV-UHFFFAOYSA-N 2 1 375.472 3.746 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)OCCO5)CC[C@@H]3C2)cc1 ZINC001141042493 1023366779 /nfs/dbraw/zinc/36/67/79/1023366779.db2.gz SWMJQKHTTLYZBO-FGZHOGPDSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)CC[C@@H]3C2)cc1 ZINC001141042493 1023366790 /nfs/dbraw/zinc/36/67/90/1023366790.db2.gz SWMJQKHTTLYZBO-FGZHOGPDSA-N 2 1 378.516 3.802 20 0 GHADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccccc3-c3cccs3)CC[C@@H]21 ZINC001141095704 1023476559 /nfs/dbraw/zinc/47/65/59/1023476559.db2.gz UAGHDCWCWJIXEJ-DYXWJJEUSA-N 2 1 393.560 3.601 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccccc3-c3cccs3)CC[C@@H]21 ZINC001141095704 1023476564 /nfs/dbraw/zinc/47/65/64/1023476564.db2.gz UAGHDCWCWJIXEJ-DYXWJJEUSA-N 2 1 393.560 3.601 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccccc3-c3cccs3)CC[C@@H]21 ZINC001141095704 1023476577 /nfs/dbraw/zinc/47/65/77/1023476577.db2.gz UAGHDCWCWJIXEJ-DYXWJJEUSA-N 2 1 393.560 3.601 20 0 GHADMP CN(C)C1=NOC2(C1)CC[NH+](Cc1cc(C(F)(F)F)ccc1Cl)CC2 ZINC001138084118 1024028121 /nfs/dbraw/zinc/02/81/21/1024028121.db2.gz PNEOTAGGBHPMFQ-UHFFFAOYSA-N 2 1 375.822 3.989 20 0 GHADMP c1csc(CN2C[C@@H]3C[N@H+](Cc4ccc(-c5ncccn5)cc4)C[C@@H]3C2)c1 ZINC001141186419 1024042378 /nfs/dbraw/zinc/04/23/78/1024042378.db2.gz UOLQDZPZUZMXJT-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3CN(Cc4ccc(-c5ncccn5)cc4)C[C@H]3C2)c1 ZINC001141186419 1024042393 /nfs/dbraw/zinc/04/23/93/1024042393.db2.gz UOLQDZPZUZMXJT-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3CN(Cc4ccc(-c5ncccn5)cc4)C[C@H]3C2)c1 ZINC001141186419 1024042410 /nfs/dbraw/zinc/04/24/10/1024042410.db2.gz UOLQDZPZUZMXJT-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(-c5ncccn5)cc4)C[C@H]3C2)c1 ZINC001141186419 1024042428 /nfs/dbraw/zinc/04/24/28/1024042428.db2.gz UOLQDZPZUZMXJT-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(-c5ncccn5)cc4)C[C@H]3C2)c1 ZINC001141186419 1024042446 /nfs/dbraw/zinc/04/24/46/1024042446.db2.gz UOLQDZPZUZMXJT-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(-c5ncccn5)cc4)C[C@H]3C2)c1 ZINC001141186419 1024042461 /nfs/dbraw/zinc/04/24/61/1024042461.db2.gz UOLQDZPZUZMXJT-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(-c5ncccn5)cc4)C[C@H]3C2)c1 ZINC001141186419 1024042476 /nfs/dbraw/zinc/04/24/76/1024042476.db2.gz UOLQDZPZUZMXJT-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000117784143 1024133618 /nfs/dbraw/zinc/13/36/18/1024133618.db2.gz ZMPPDXBRXQQWIY-QHCPKHFHSA-N 2 1 394.563 3.546 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000117784143 1024133628 /nfs/dbraw/zinc/13/36/28/1024133628.db2.gz ZMPPDXBRXQQWIY-QHCPKHFHSA-N 2 1 394.563 3.546 20 0 GHADMP C[C@@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000837884720 1024781331 /nfs/dbraw/zinc/78/13/31/1024781331.db2.gz UGMXYJRMUNIKHF-NRFANRHFSA-N 2 1 388.600 3.662 20 0 GHADMP Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001138403833 1024784760 /nfs/dbraw/zinc/78/47/60/1024784760.db2.gz SHTKLHCPEJESPO-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1c2ccccc2[nH]c1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001138403833 1024784767 /nfs/dbraw/zinc/78/47/67/1024784767.db2.gz SHTKLHCPEJESPO-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1c2ccccc2[nH]c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001138403833 1024784779 /nfs/dbraw/zinc/78/47/79/1024784779.db2.gz SHTKLHCPEJESPO-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)cc1 ZINC001138543001 1024985880 /nfs/dbraw/zinc/98/58/80/1024985880.db2.gz MDBZBLHHWAHTOR-UHFFFAOYSA-N 2 1 378.520 3.548 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)cc1 ZINC001138549363 1024996170 /nfs/dbraw/zinc/99/61/70/1024996170.db2.gz NVFJGIXEQZQCQY-UHFFFAOYSA-N 2 1 396.498 3.634 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)cc1 ZINC001138549363 1024996174 /nfs/dbraw/zinc/99/61/74/1024996174.db2.gz NVFJGIXEQZQCQY-UHFFFAOYSA-N 2 1 396.498 3.634 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccc2ccccc21 ZINC001202860865 1025276112 /nfs/dbraw/zinc/27/61/12/1025276112.db2.gz VKSWMNVIGNFPCX-ZJSXRUAMSA-N 2 1 375.516 3.862 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccc2ccccc21 ZINC001202860865 1025276125 /nfs/dbraw/zinc/27/61/25/1025276125.db2.gz VKSWMNVIGNFPCX-ZJSXRUAMSA-N 2 1 375.516 3.862 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772788 1025343594 /nfs/dbraw/zinc/34/35/94/1025343594.db2.gz BYBVPDBGGXCFFW-IEBWSBKVSA-N 2 1 391.556 3.505 20 0 GHADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001138773070 1025343786 /nfs/dbraw/zinc/34/37/86/1025343786.db2.gz ORUMQQDLYFDHMX-QHCPKHFHSA-N 2 1 381.564 3.723 20 0 GHADMP CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001138773070 1025343793 /nfs/dbraw/zinc/34/37/93/1025343793.db2.gz ORUMQQDLYFDHMX-QHCPKHFHSA-N 2 1 381.564 3.723 20 0 GHADMP CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138773070 1025343806 /nfs/dbraw/zinc/34/38/06/1025343806.db2.gz ORUMQQDLYFDHMX-QHCPKHFHSA-N 2 1 381.564 3.723 20 0 GHADMP OCCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC001138793527 1025369736 /nfs/dbraw/zinc/36/97/36/1025369736.db2.gz RPNNBQWWXUDKJE-UHFFFAOYSA-N 2 1 386.561 3.607 20 0 GHADMP CC[N@@H+](CCn1ccnc1)Cc1cc(Br)c(Br)o1 ZINC001138879574 1025514032 /nfs/dbraw/zinc/51/40/32/1025514032.db2.gz LFZHOYBACPXTKX-UHFFFAOYSA-N 2 1 377.080 3.523 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(NCC2(c3cccnc3)CC[NH2+]CC2)nc1 ZINC001162039679 1025556389 /nfs/dbraw/zinc/55/63/89/1025556389.db2.gz JAPOXPZNMUAQGE-NRFANRHFSA-N 2 1 379.552 3.757 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001138960607 1025661929 /nfs/dbraw/zinc/66/19/29/1025661929.db2.gz QZLMJWHPMZDSSM-VXKWHMMOSA-N 2 1 378.516 3.874 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000839188527 1025707621 /nfs/dbraw/zinc/70/76/21/1025707621.db2.gz IJZAPHLLVLGAKS-RTBURBONSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000839188527 1025707641 /nfs/dbraw/zinc/70/76/41/1025707641.db2.gz IJZAPHLLVLGAKS-RTBURBONSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000839188524 1025708199 /nfs/dbraw/zinc/70/81/99/1025708199.db2.gz IJZAPHLLVLGAKS-MOPGFXCFSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000839188524 1025708207 /nfs/dbraw/zinc/70/82/07/1025708207.db2.gz IJZAPHLLVLGAKS-MOPGFXCFSA-N 2 1 376.545 3.693 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC001461035290 1069350006 /nfs/dbraw/zinc/35/00/06/1069350006.db2.gz NDIZVGINNFXDAB-RPBOFIJWSA-N 2 1 377.576 3.902 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001461044937 1069356361 /nfs/dbraw/zinc/35/63/61/1069356361.db2.gz MTYGGSCIUGRRSC-SWBPCFCJSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC001461044937 1069356376 /nfs/dbraw/zinc/35/63/76/1069356376.db2.gz MTYGGSCIUGRRSC-SWBPCFCJSA-N 2 1 379.589 3.732 20 0 GHADMP C[NH+](C)C[C@H](Nc1cccc(N2CCC([NH3+])CC2)[nH+]1)C12CC3CC(CC(C3)C1)C2 ZINC001162817542 1025929032 /nfs/dbraw/zinc/92/90/32/1025929032.db2.gz XNJNMAHIKPFZKY-IOFSEFHDSA-N 3 1 397.611 3.568 20 0 GHADMP CCc1ncc(Cl)nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162927404 1025970100 /nfs/dbraw/zinc/97/01/00/1025970100.db2.gz BKQRSJZJSAOMGM-SFHVURJKSA-N 2 1 399.970 3.606 20 0 GHADMP Cc1cc2[nH+]ccn2cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934423 1025972114 /nfs/dbraw/zinc/97/21/14/1025972114.db2.gz LEVPEQCASSMVHK-OAQYLSRUSA-N 3 1 389.547 3.556 20 0 GHADMP Cc1cc2nccn2cc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934423 1025972118 /nfs/dbraw/zinc/97/21/18/1025972118.db2.gz LEVPEQCASSMVHK-OAQYLSRUSA-N 2 1 389.547 3.556 20 0 GHADMP Cc1cc2nccn2cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934423 1025972124 /nfs/dbraw/zinc/97/21/24/1025972124.db2.gz LEVPEQCASSMVHK-OAQYLSRUSA-N 2 1 389.547 3.556 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC001139185980 1026022702 /nfs/dbraw/zinc/02/27/02/1026022702.db2.gz JJEVJKUWOQYJHF-UHFFFAOYSA-N 2 1 385.309 3.956 20 0 GHADMP COc1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)s2)cc1 ZINC001139288408 1026141094 /nfs/dbraw/zinc/14/10/94/1026141094.db2.gz XQKYQHHQOSJMON-UHFFFAOYSA-N 2 1 385.577 3.637 20 0 GHADMP [NH3+]C1(CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CCC1 ZINC001163326447 1026145582 /nfs/dbraw/zinc/14/55/82/1026145582.db2.gz BSLJMNGLJCHSLS-UHFFFAOYSA-N 2 1 385.581 3.849 20 0 GHADMP O[C@@H]1CC[C@@H]2C[NH+](CCCCCCCC[N@@H+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000839663220 1026182654 /nfs/dbraw/zinc/18/26/54/1026182654.db2.gz HHTNNEMFIKEFKZ-SNFJGFPHSA-N 2 1 392.628 3.513 20 0 GHADMP O[C@@H]1CC[C@@H]2C[N@@H+](CCCCCCCC[NH+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000839663220 1026182663 /nfs/dbraw/zinc/18/26/63/1026182663.db2.gz HHTNNEMFIKEFKZ-SNFJGFPHSA-N 2 1 392.628 3.513 20 0 GHADMP O[C@@H]1CC[C@@H]2C[N@H+](CCCCCCCC[NH+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000839663220 1026182668 /nfs/dbraw/zinc/18/26/68/1026182668.db2.gz HHTNNEMFIKEFKZ-SNFJGFPHSA-N 2 1 392.628 3.513 20 0 GHADMP C[NH+]1CCN(C(=O)c2cccc(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC001163849165 1026338494 /nfs/dbraw/zinc/33/84/94/1026338494.db2.gz YVYDBWJVXCYKAO-UHFFFAOYSA-N 2 1 380.536 3.680 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)nc1 ZINC001139494005 1026352890 /nfs/dbraw/zinc/35/28/90/1026352890.db2.gz QVGRCLHLUYOBKG-IOMROCGXSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)nc1 ZINC001139494005 1026352900 /nfs/dbraw/zinc/35/29/00/1026352900.db2.gz QVGRCLHLUYOBKG-IOMROCGXSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)nc1 ZINC001139494005 1026352914 /nfs/dbraw/zinc/35/29/14/1026352914.db2.gz QVGRCLHLUYOBKG-IOMROCGXSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)nc1 ZINC001139494005 1026352926 /nfs/dbraw/zinc/35/29/26/1026352926.db2.gz QVGRCLHLUYOBKG-IOMROCGXSA-N 2 1 399.560 3.662 20 0 GHADMP OCC[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139513352 1026367591 /nfs/dbraw/zinc/36/75/91/1026367591.db2.gz QGJBJHXTGGMNCZ-HSZRJFAPSA-N 2 1 393.575 3.603 20 0 GHADMP CCOc1c(F)cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1C(F)(F)F ZINC001164216459 1026455682 /nfs/dbraw/zinc/45/56/82/1026455682.db2.gz CETMABKVCBJTBB-UHFFFAOYSA-N 2 1 377.426 3.681 20 0 GHADMP C[C@@]1(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001139617159 1026482240 /nfs/dbraw/zinc/48/22/40/1026482240.db2.gz KQOUUTJYFINAFU-DEOSSOPVSA-N 2 1 390.531 3.933 20 0 GHADMP CCOc1ccncc1C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001139629999 1026497118 /nfs/dbraw/zinc/49/71/18/1026497118.db2.gz IAQZCBWIHTVFAM-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)nnn1Cc1ccccc1 ZINC001461111819 1069395583 /nfs/dbraw/zinc/39/55/83/1069395583.db2.gz INUMZRUOPQGOJR-UHFFFAOYSA-N 2 1 389.547 3.992 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C[NH3+])CC[C@H]2C)n1 ZINC001164475386 1026521077 /nfs/dbraw/zinc/52/10/77/1026521077.db2.gz ZOVUSDHOQHFKRW-CJNGLKHVSA-N 2 1 375.586 3.714 20 0 GHADMP CC(C)N(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461117331 1069399162 /nfs/dbraw/zinc/39/91/62/1069399162.db2.gz VFHUZCOUZMBQPI-NFBKMPQASA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)N(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461117331 1069399171 /nfs/dbraw/zinc/39/91/71/1069399171.db2.gz VFHUZCOUZMBQPI-NFBKMPQASA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)N(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461117331 1069399192 /nfs/dbraw/zinc/39/91/92/1069399192.db2.gz VFHUZCOUZMBQPI-NFBKMPQASA-N 2 1 389.559 3.710 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)o1 ZINC001204391273 1026574701 /nfs/dbraw/zinc/57/47/01/1026574701.db2.gz PJBCWSKPRYNZAR-HXUWFJFHSA-N 2 1 383.536 3.740 20 0 GHADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3nccc(Br)c23)C1 ZINC001139945854 1026751257 /nfs/dbraw/zinc/75/12/57/1026751257.db2.gz KYZNQFJCYZHHES-AWEZNQCLSA-N 2 1 387.281 3.682 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140028105 1026816673 /nfs/dbraw/zinc/81/66/73/1026816673.db2.gz LFJTZSMECHSFTF-GOSISDBHSA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140028105 1026816685 /nfs/dbraw/zinc/81/66/85/1026816685.db2.gz LFJTZSMECHSFTF-GOSISDBHSA-N 2 1 384.524 3.870 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC001461154114 1069415841 /nfs/dbraw/zinc/41/58/41/1069415841.db2.gz IAAJPRNQFPKRDL-HXUWFJFHSA-N 2 1 390.531 3.740 20 0 GHADMP COc1ccc2n[nH]c(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071465 1026852981 /nfs/dbraw/zinc/85/29/81/1026852981.db2.gz LYIDICYTNQAQJR-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071465 1026852990 /nfs/dbraw/zinc/85/29/90/1026852990.db2.gz LYIDICYTNQAQJR-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071465 1026853003 /nfs/dbraw/zinc/85/30/03/1026853003.db2.gz LYIDICYTNQAQJR-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071465 1026853035 /nfs/dbraw/zinc/85/30/35/1026853035.db2.gz LYIDICYTNQAQJR-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071465 1026853043 /nfs/dbraw/zinc/85/30/43/1026853043.db2.gz LYIDICYTNQAQJR-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071465 1026853048 /nfs/dbraw/zinc/85/30/48/1026853048.db2.gz LYIDICYTNQAQJR-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c2c1 ZINC001140071465 1026853058 /nfs/dbraw/zinc/85/30/58/1026853058.db2.gz LYIDICYTNQAQJR-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP CC[NH+](CC)Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)nc(C)[nH+]2)cc1 ZINC001209821825 1027221611 /nfs/dbraw/zinc/22/16/11/1027221611.db2.gz BFYPNLGAALBHPR-IAGOWNOFSA-N 2 1 383.540 3.984 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1C ZINC001203752452 1027574469 /nfs/dbraw/zinc/57/44/69/1027574469.db2.gz AERYZRQWXACBGF-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1C ZINC001203752452 1027574477 /nfs/dbraw/zinc/57/44/77/1027574477.db2.gz AERYZRQWXACBGF-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1C ZINC001203752452 1027574489 /nfs/dbraw/zinc/57/44/89/1027574489.db2.gz AERYZRQWXACBGF-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C ZINC001203752452 1027574496 /nfs/dbraw/zinc/57/44/96/1027574496.db2.gz AERYZRQWXACBGF-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP O=C(OCc1ccc(C[NH+]2CCCCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000840580993 1027632318 /nfs/dbraw/zinc/63/23/18/1027632318.db2.gz VIIIHIZUEWJCQF-UHFFFAOYSA-N 2 1 376.460 3.610 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001203821204 1027634568 /nfs/dbraw/zinc/63/45/68/1027634568.db2.gz QJPJYLAYZDCIHE-JOCHJYFZSA-N 2 1 395.547 3.593 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc3ccccc3c1)CCC2 ZINC001204001261 1027800067 /nfs/dbraw/zinc/80/00/67/1027800067.db2.gz VUQYEWBZPVVVGI-UHFFFAOYSA-N 2 1 390.531 3.644 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc3ccccc3c1)CCC2 ZINC001204001261 1027800086 /nfs/dbraw/zinc/80/00/86/1027800086.db2.gz VUQYEWBZPVVVGI-UHFFFAOYSA-N 2 1 390.531 3.644 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC001204138673 1027908124 /nfs/dbraw/zinc/90/81/24/1027908124.db2.gz OUHDEEUSQAIVPZ-UHFFFAOYSA-N 2 1 377.532 3.515 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC000841286631 1028372496 /nfs/dbraw/zinc/37/24/96/1028372496.db2.gz GDJBFTWDBGAZEJ-NQIIRXRSSA-N 2 1 396.535 3.541 20 0 GHADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3n[nH]c4ccccc43)cc2)C[C@@H]1C ZINC001461400525 1069534379 /nfs/dbraw/zinc/53/43/79/1069534379.db2.gz JVGXEQSHSJCRRA-OALUTQOASA-N 2 1 392.547 3.862 20 0 GHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123849618 1028973005 /nfs/dbraw/zinc/97/30/05/1028973005.db2.gz OGBHEFLFRGWAND-QZTJIDSGSA-N 2 1 376.504 3.855 20 0 GHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123849618 1028973006 /nfs/dbraw/zinc/97/30/06/1028973006.db2.gz OGBHEFLFRGWAND-QZTJIDSGSA-N 2 1 376.504 3.855 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679958 1029253750 /nfs/dbraw/zinc/25/37/50/1029253750.db2.gz NZGZOLWFOCEEQQ-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679958 1029253763 /nfs/dbraw/zinc/25/37/63/1029253763.db2.gz NZGZOLWFOCEEQQ-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679958 1029253775 /nfs/dbraw/zinc/25/37/75/1029253775.db2.gz NZGZOLWFOCEEQQ-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842667646 1029469518 /nfs/dbraw/zinc/46/95/18/1029469518.db2.gz CFMPOLYQUBNYAM-NRFANRHFSA-N 2 1 391.515 3.930 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842667646 1029469528 /nfs/dbraw/zinc/46/95/28/1029469528.db2.gz CFMPOLYQUBNYAM-NRFANRHFSA-N 2 1 391.515 3.930 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842684853 1029491837 /nfs/dbraw/zinc/49/18/37/1029491837.db2.gz PTSLOIAXYBACRO-GUDVDZBRSA-N 2 1 376.545 3.597 20 0 GHADMP CN(C)c1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)CC2)cc1 ZINC000842762309 1029571371 /nfs/dbraw/zinc/57/13/71/1029571371.db2.gz CHZDEDWRJOQLAB-BWKNWUBXSA-N 2 1 392.591 3.656 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000842766514 1029573652 /nfs/dbraw/zinc/57/36/52/1029573652.db2.gz STEKPRUOLYMEEO-FAEIBLRNSA-N 2 1 399.579 3.852 20 0 GHADMP c1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n(-c2ccccn2)n1 ZINC001461551777 1069605770 /nfs/dbraw/zinc/60/57/70/1069605770.db2.gz RASXATQPBFIXTF-OAQYLSRUSA-N 2 1 375.520 3.659 20 0 GHADMP c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(-c2ccccn2)n1 ZINC001461551777 1069605776 /nfs/dbraw/zinc/60/57/76/1069605776.db2.gz RASXATQPBFIXTF-OAQYLSRUSA-N 2 1 375.520 3.659 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@H]21 ZINC001142881148 1029630756 /nfs/dbraw/zinc/63/07/56/1029630756.db2.gz OPQFDXLZTCQNPE-ZPMCFJSWSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@H]21 ZINC001142881148 1029630762 /nfs/dbraw/zinc/63/07/62/1029630762.db2.gz OPQFDXLZTCQNPE-ZPMCFJSWSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccnc4[nH]ccc43)C[C@H]21 ZINC001142881148 1029630768 /nfs/dbraw/zinc/63/07/68/1029630768.db2.gz OPQFDXLZTCQNPE-ZPMCFJSWSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnc4[nH]ccc43)C[C@H]21 ZINC001142881148 1029630771 /nfs/dbraw/zinc/63/07/71/1029630771.db2.gz OPQFDXLZTCQNPE-ZPMCFJSWSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843124414 1029816610 /nfs/dbraw/zinc/81/66/10/1029816610.db2.gz APGDBVBTPXBMAC-QZTJIDSGSA-N 2 1 390.934 3.854 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C(\C)c1ccccc1Cl ZINC001143140441 1029865576 /nfs/dbraw/zinc/86/55/76/1029865576.db2.gz QFPFPUUYLZSBID-WBWKYDSYSA-N 2 1 377.960 3.618 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)[NH2+][C@@H](C)c1ccccc1 ZINC001221976181 1029913660 /nfs/dbraw/zinc/91/36/60/1029913660.db2.gz REZOYIDFCITZGF-CEWLAPEOSA-N 2 1 386.584 3.774 20 0 GHADMP CCOc1ccc(-c2nc(C[N@@H+](C)C3CCC([NH3+])CC3)cs2)cc1OC ZINC000843353531 1029933814 /nfs/dbraw/zinc/93/38/14/1029933814.db2.gz BEDGZHDOCPLNGE-UHFFFAOYSA-N 2 1 375.538 3.919 20 0 GHADMP FC(F)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001143248913 1029947081 /nfs/dbraw/zinc/94/70/81/1029947081.db2.gz YFMBQGZLQCIQAB-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001143248913 1029947084 /nfs/dbraw/zinc/94/70/84/1029947084.db2.gz YFMBQGZLQCIQAB-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001143248913 1029947086 /nfs/dbraw/zinc/94/70/86/1029947086.db2.gz YFMBQGZLQCIQAB-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1OC ZINC001222168117 1029985419 /nfs/dbraw/zinc/98/54/19/1029985419.db2.gz VBVVYXXZCVKQHO-QHCPKHFHSA-N 2 1 390.568 3.856 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccccc1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC001222226408 1030019788 /nfs/dbraw/zinc/01/97/88/1030019788.db2.gz RTDLNQLGPPLIAW-QFIPXVFZSA-N 2 1 396.506 4.000 20 0 GHADMP COc1ccc(Oc2cccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)c2)cc1 ZINC001222400822 1030108005 /nfs/dbraw/zinc/10/80/05/1030108005.db2.gz JGSMTGGBACHHSI-UHFFFAOYSA-N 2 1 382.504 3.690 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)c1 ZINC001222407971 1030112796 /nfs/dbraw/zinc/11/27/96/1030112796.db2.gz UOGVRDYTFFBHTA-UHFFFAOYSA-N 2 1 379.548 3.965 20 0 GHADMP c1nc2ccccn2c1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222573721 1030205510 /nfs/dbraw/zinc/20/55/10/1030205510.db2.gz CEDJPEGZBYAGSZ-NRFANRHFSA-N 2 1 390.531 3.638 20 0 GHADMP c1nc2ccccn2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222573721 1030205527 /nfs/dbraw/zinc/20/55/27/1030205527.db2.gz CEDJPEGZBYAGSZ-NRFANRHFSA-N 2 1 390.531 3.638 20 0 GHADMP c1c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cnccc12 ZINC001222590701 1030215760 /nfs/dbraw/zinc/21/57/60/1030215760.db2.gz MDTCZUZZBDYPQG-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cnccc12 ZINC001222590701 1030215768 /nfs/dbraw/zinc/21/57/68/1030215768.db2.gz MDTCZUZZBDYPQG-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)NCC3)cc1 ZINC001222595504 1030222552 /nfs/dbraw/zinc/22/25/52/1030222552.db2.gz BPPBRMJXIUXXCC-QHCPKHFHSA-N 2 1 391.559 3.958 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001222615443 1030239476 /nfs/dbraw/zinc/23/94/76/1030239476.db2.gz QFSUJEBDCQQYLK-KRWDZBQOSA-N 2 1 392.421 3.783 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1OC(F)(F)F ZINC001222615443 1030239492 /nfs/dbraw/zinc/23/94/92/1030239492.db2.gz QFSUJEBDCQQYLK-KRWDZBQOSA-N 2 1 392.421 3.783 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615510 1030239903 /nfs/dbraw/zinc/23/99/03/1030239903.db2.gz QSSCONCIDIRCCB-HSZRJFAPSA-N 2 1 385.511 3.946 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615510 1030239913 /nfs/dbraw/zinc/23/99/13/1030239913.db2.gz QSSCONCIDIRCCB-HSZRJFAPSA-N 2 1 385.511 3.946 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)cn2)cc1 ZINC001222620404 1030242576 /nfs/dbraw/zinc/24/25/76/1030242576.db2.gz QPUDIDNATZBLLO-QFBILLFUSA-N 2 1 377.410 3.831 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000129866738 1030263621 /nfs/dbraw/zinc/26/36/21/1030263621.db2.gz DMUUFJDVKQLHEW-HXUWFJFHSA-N 2 1 375.582 3.747 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001222668693 1030270981 /nfs/dbraw/zinc/27/09/81/1030270981.db2.gz ZPROQWHLNPRRDC-AUSIDOKSSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001222668693 1030270996 /nfs/dbraw/zinc/27/09/96/1030270996.db2.gz ZPROQWHLNPRRDC-AUSIDOKSSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001222668693 1030271010 /nfs/dbraw/zinc/27/10/10/1030271010.db2.gz ZPROQWHLNPRRDC-AUSIDOKSSA-N 2 1 398.595 3.735 20 0 GHADMP Clc1ccc(C[N@@H+]2CC[C@@H](OC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1Cl ZINC001217912708 1030672790 /nfs/dbraw/zinc/67/27/90/1030672790.db2.gz VIEVUTGWTCNJAQ-IAGOWNOFSA-N 2 1 399.362 3.743 20 0 GHADMP Clc1ccc(C[N@H+]2CC[C@@H](OC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1Cl ZINC001217912708 1030672796 /nfs/dbraw/zinc/67/27/96/1030672796.db2.gz VIEVUTGWTCNJAQ-IAGOWNOFSA-N 2 1 399.362 3.743 20 0 GHADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2CSC4(C[NH2+]C4)C2)cc13 ZINC001218099122 1030771149 /nfs/dbraw/zinc/77/11/49/1030771149.db2.gz FBSRMNWGHXVHLF-KLJZETAQSA-N 2 1 384.589 3.601 20 0 GHADMP Clc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc4c(n3)CC[NH2+]C4)C2)cc1Cl ZINC001218391508 1030916219 /nfs/dbraw/zinc/91/62/19/1030916219.db2.gz VJFJZTLWMZYVCE-OAHLLOKOSA-N 2 1 378.303 3.687 20 0 GHADMP Clc1ccc(C[N@H+]2CC[C@@H](Oc3ccc4c(n3)CC[NH2+]C4)C2)cc1Cl ZINC001218391508 1030916224 /nfs/dbraw/zinc/91/62/24/1030916224.db2.gz VJFJZTLWMZYVCE-OAHLLOKOSA-N 2 1 378.303 3.687 20 0 GHADMP COC(=O)C[C@@H]([NH3+])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001218411106 1030927308 /nfs/dbraw/zinc/92/73/08/1030927308.db2.gz ZBCMBPNXVDKRTN-UYAOXDASSA-N 2 1 388.895 3.556 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@@H](C)OC(C)(C)C ZINC001218849082 1031112222 /nfs/dbraw/zinc/11/22/22/1031112222.db2.gz QGYXYCDCNKPQBH-VGSWGCGISA-N 2 1 395.547 3.933 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@@H](C)OC(C)(C)C ZINC001218849082 1031112224 /nfs/dbraw/zinc/11/22/24/1031112224.db2.gz QGYXYCDCNKPQBH-VGSWGCGISA-N 2 1 395.547 3.933 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](COC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224825660 1031138424 /nfs/dbraw/zinc/13/84/24/1031138424.db2.gz LMFBZIHAYOUDJO-JWQCQUIFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](COC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224825660 1031138438 /nfs/dbraw/zinc/13/84/38/1031138438.db2.gz LMFBZIHAYOUDJO-JWQCQUIFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCO[C@@H](COC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224825660 1031138447 /nfs/dbraw/zinc/13/84/47/1031138447.db2.gz LMFBZIHAYOUDJO-JWQCQUIFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCO[C@@H](COC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224825660 1031138464 /nfs/dbraw/zinc/13/84/64/1031138464.db2.gz LMFBZIHAYOUDJO-JWQCQUIFSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCC(OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)cc1 ZINC001224955488 1031191219 /nfs/dbraw/zinc/19/12/19/1031191219.db2.gz HLMOXXSQBACTJL-DEOSSOPVSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)cc1 ZINC001224955488 1031191232 /nfs/dbraw/zinc/19/12/32/1031191232.db2.gz HLMOXXSQBACTJL-DEOSSOPVSA-N 2 1 380.532 3.569 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1)CC1CC1 ZINC001152338016 1031196861 /nfs/dbraw/zinc/19/68/61/1031196861.db2.gz NXJRKGVMNAIOQS-QFIPXVFZSA-N 2 1 377.617 3.858 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@]3(C)CC(C)(C)C[NH2+]3)cccc2[C@H](c2ccccc2)C1 ZINC001219047103 1031229983 /nfs/dbraw/zinc/22/99/83/1031229983.db2.gz QBGUVPQEVUWILA-CYFREDJKSA-N 2 1 377.532 3.981 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1C ZINC001225132045 1031272233 /nfs/dbraw/zinc/27/22/33/1031272233.db2.gz ZOTRKWOOEOSKOZ-VQTJNVASSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)(C)Sc1ccccc1NC(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219224013 1031312255 /nfs/dbraw/zinc/31/22/55/1031312255.db2.gz QCHYGWIQOQJZKQ-INIZCTEOSA-N 2 1 375.582 3.980 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC001225272314 1031328585 /nfs/dbraw/zinc/32/85/85/1031328585.db2.gz IAVJOTWZWGZLBC-NFBKMPQASA-N 2 1 394.563 3.514 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC001225272314 1031328605 /nfs/dbraw/zinc/32/86/05/1031328605.db2.gz IAVJOTWZWGZLBC-NFBKMPQASA-N 2 1 394.563 3.514 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1 ZINC001219705853 1031566923 /nfs/dbraw/zinc/56/69/23/1031566923.db2.gz QNSLFMNGGUSPKZ-VWLOTQADSA-N 2 1 399.538 3.822 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1 ZINC001219705853 1031566927 /nfs/dbraw/zinc/56/69/27/1031566927.db2.gz QNSLFMNGGUSPKZ-VWLOTQADSA-N 2 1 399.538 3.822 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001154079203 1031914651 /nfs/dbraw/zinc/91/46/51/1031914651.db2.gz QGAFSXHPCSKYNH-WIYYLYMNSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001154079203 1031914653 /nfs/dbraw/zinc/91/46/53/1031914653.db2.gz QGAFSXHPCSKYNH-WIYYLYMNSA-N 2 1 375.532 3.561 20 0 GHADMP CSc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC001220627208 1032027030 /nfs/dbraw/zinc/02/70/30/1032027030.db2.gz WEAZLDMVKQNGPR-HLIPFELVSA-N 2 1 392.613 3.573 20 0 GHADMP CSc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC001220627209 1032027488 /nfs/dbraw/zinc/02/74/88/1032027488.db2.gz WEAZLDMVKQNGPR-QKLQHJQFSA-N 2 1 392.613 3.573 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC001220636729 1032036231 /nfs/dbraw/zinc/03/62/31/1032036231.db2.gz OAYHCNXAGROVKS-KNQAVFIVSA-N 2 1 388.600 3.940 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2c1CC[NH+](Cc1ccccc1)C2 ZINC001156928629 1033324318 /nfs/dbraw/zinc/32/43/18/1033324318.db2.gz LMGUDSXHUBMIDF-LJQANCHMSA-N 2 1 379.552 3.711 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNc1ncnc2c1CC[NH+](Cc1ccccc1)C2 ZINC001156928629 1033324331 /nfs/dbraw/zinc/32/43/31/1033324331.db2.gz LMGUDSXHUBMIDF-LJQANCHMSA-N 2 1 379.552 3.711 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001156928629 1033324348 /nfs/dbraw/zinc/32/43/48/1033324348.db2.gz LMGUDSXHUBMIDF-LJQANCHMSA-N 2 1 379.552 3.711 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001156928629 1033324361 /nfs/dbraw/zinc/32/43/61/1033324361.db2.gz LMGUDSXHUBMIDF-LJQANCHMSA-N 2 1 379.552 3.711 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H]1C[NH3+] ZINC001205303297 1033349151 /nfs/dbraw/zinc/34/91/51/1033349151.db2.gz CIIDSSAYLZBEHL-JSGCOSHPSA-N 2 1 380.355 3.989 20 0 GHADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229302591 1033403279 /nfs/dbraw/zinc/40/32/79/1033403279.db2.gz KNSLWPWMNRQAGX-NQIIRXRSSA-N 2 1 381.520 3.820 20 0 GHADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229302591 1033403284 /nfs/dbraw/zinc/40/32/84/1033403284.db2.gz KNSLWPWMNRQAGX-NQIIRXRSSA-N 2 1 381.520 3.820 20 0 GHADMP COC(=O)N1CCC([NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001205535745 1033457139 /nfs/dbraw/zinc/45/71/39/1033457139.db2.gz RULVSBHEVSAOEA-HSZRJFAPSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC12CC([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC001205554149 1033466779 /nfs/dbraw/zinc/46/67/79/1033466779.db2.gz AKSNLTJUAPPELB-KWUMJBAFSA-N 2 1 377.573 3.819 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)nc1 ZINC001205619469 1033495374 /nfs/dbraw/zinc/49/53/74/1033495374.db2.gz BOPBFBXBYRMVON-FQEVSTJZSA-N 2 1 379.548 3.998 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)nc1 ZINC001205619469 1033495389 /nfs/dbraw/zinc/49/53/89/1033495389.db2.gz BOPBFBXBYRMVON-FQEVSTJZSA-N 2 1 379.548 3.998 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nc(-c2cccs2)oc1C ZINC001205677391 1033524841 /nfs/dbraw/zinc/52/48/41/1033524841.db2.gz BNRFXBLSVHFITE-KRWDZBQOSA-N 2 1 376.570 3.559 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001229558041 1033556316 /nfs/dbraw/zinc/55/63/16/1033556316.db2.gz UAGKLLCFPOKTQX-RDABAPPSSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001229558041 1033556328 /nfs/dbraw/zinc/55/63/28/1033556328.db2.gz UAGKLLCFPOKTQX-RDABAPPSSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001229587768 1033575549 /nfs/dbraw/zinc/57/55/49/1033575549.db2.gz CKFPRVWLRBBQIX-UEVCKROQSA-N 2 1 398.595 3.746 20 0 GHADMP C[N@@H+]1CCN(C(=O)Cc2ccccc2-c2ccccc2C[NH3+])[C@H](c2ccccc2)C1 ZINC001157495156 1033619228 /nfs/dbraw/zinc/61/92/28/1033619228.db2.gz GRZGLFBCGSEYCH-VWLOTQADSA-N 2 1 399.538 3.870 20 0 GHADMP C[N@H+]1CCN(C(=O)Cc2ccccc2-c2ccccc2C[NH3+])[C@H](c2ccccc2)C1 ZINC001157495156 1033619232 /nfs/dbraw/zinc/61/92/32/1033619232.db2.gz GRZGLFBCGSEYCH-VWLOTQADSA-N 2 1 399.538 3.870 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c(I)c2)CCC[C@@H]1C[NH3+] ZINC001206021645 1033691417 /nfs/dbraw/zinc/69/14/17/1033691417.db2.gz ANXFTUDVFVPJBG-WCQYABFASA-N 2 1 392.712 3.751 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@](F)(C[NH3+])CC1)c1ccccc1 ZINC001157744605 1033749194 /nfs/dbraw/zinc/74/91/94/1033749194.db2.gz KDKLSPDDQOOVDY-FYYLOGMGSA-N 2 1 383.511 3.539 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@](F)(C[NH3+])CC1)c1ccccc1 ZINC001157744605 1033749208 /nfs/dbraw/zinc/74/92/08/1033749208.db2.gz KDKLSPDDQOOVDY-FYYLOGMGSA-N 2 1 383.511 3.539 20 0 GHADMP COC[C@@H](C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(OC)c1 ZINC001206723111 1033958584 /nfs/dbraw/zinc/95/85/84/1033958584.db2.gz SVKCITHDNYXXOL-HXUWFJFHSA-N 2 1 398.547 3.565 20 0 GHADMP COC[C@@H](C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(OC)c1 ZINC001206723111 1033958586 /nfs/dbraw/zinc/95/85/86/1033958586.db2.gz SVKCITHDNYXXOL-HXUWFJFHSA-N 2 1 398.547 3.565 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)CC34CCCC4)c2c1C ZINC001158410517 1034064930 /nfs/dbraw/zinc/06/49/30/1034064930.db2.gz VBCJPFMONCVINO-UHFFFAOYSA-N 2 1 399.608 3.969 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)CC34CCCC4)c2c1C ZINC001158410517 1034064945 /nfs/dbraw/zinc/06/49/45/1034064945.db2.gz VBCJPFMONCVINO-UHFFFAOYSA-N 2 1 399.608 3.969 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001230458727 1034071426 /nfs/dbraw/zinc/07/14/26/1034071426.db2.gz SAZRMPXKJAKPAU-LEWJYISDSA-N 2 1 392.563 3.580 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001230458727 1034071438 /nfs/dbraw/zinc/07/14/38/1034071438.db2.gz SAZRMPXKJAKPAU-LEWJYISDSA-N 2 1 392.563 3.580 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001230642336 1034159656 /nfs/dbraw/zinc/15/96/56/1034159656.db2.gz CYINPSIKTRACAZ-VXKWHMMOSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001230642336 1034159665 /nfs/dbraw/zinc/15/96/65/1034159665.db2.gz CYINPSIKTRACAZ-VXKWHMMOSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001230642336 1034159672 /nfs/dbraw/zinc/15/96/72/1034159672.db2.gz CYINPSIKTRACAZ-VXKWHMMOSA-N 2 1 392.632 3.698 20 0 GHADMP C(C[C@H]1CCC[NH2+]1)Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001158626919 1034208366 /nfs/dbraw/zinc/20/83/66/1034208366.db2.gz JSNLMAJPVHQUCM-OAHLLOKOSA-N 2 1 385.581 3.720 20 0 GHADMP CC1=CC[C@@H](CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)C1(C)C ZINC001207272468 1034227662 /nfs/dbraw/zinc/22/76/62/1034227662.db2.gz OPRXIWMCSGEMQJ-LDVJMBRRSA-N 2 1 397.611 3.835 20 0 GHADMP CC1=CC[C@@H](CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)C1(C)C ZINC001207272468 1034227684 /nfs/dbraw/zinc/22/76/84/1034227684.db2.gz OPRXIWMCSGEMQJ-LDVJMBRRSA-N 2 1 397.611 3.835 20 0 GHADMP CC1=CC[C@@H](CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)C1(C)C ZINC001207272468 1034227698 /nfs/dbraw/zinc/22/76/98/1034227698.db2.gz OPRXIWMCSGEMQJ-LDVJMBRRSA-N 2 1 397.611 3.835 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(NC3(c4ccccc4C(F)(F)F)CC3)n2)CC1 ZINC001158691327 1034233694 /nfs/dbraw/zinc/23/36/94/1034233694.db2.gz AIXRMLCZMHCZNV-UHFFFAOYSA-N 2 1 377.414 3.524 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC[N@H+]2CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207285979 1034237346 /nfs/dbraw/zinc/23/73/46/1034237346.db2.gz AGHYLLBGCYHNLU-UHFFFAOYSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCC[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288894 1034238174 /nfs/dbraw/zinc/23/81/74/1034238174.db2.gz DUCOTGHOGGLYLJ-FCHUYYIVSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289843 1034240808 /nfs/dbraw/zinc/24/08/08/1034240808.db2.gz XHGRCYWCRIWSPP-DEOSSOPVSA-N 2 1 399.579 3.984 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291249 1034241596 /nfs/dbraw/zinc/24/15/96/1034241596.db2.gz NNUBMSXJYJWJPB-UHFFFAOYSA-N 3 1 378.564 3.841 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001207293947 1034246914 /nfs/dbraw/zinc/24/69/14/1034246914.db2.gz DCPKMOLBECMYML-HSZRJFAPSA-N 2 1 395.547 3.846 20 0 GHADMP CC[N@@H+](CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001158772135 1034266510 /nfs/dbraw/zinc/26/65/10/1034266510.db2.gz QKFQKIZKQMKOGJ-HSZRJFAPSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC34CC[NH+](CC3)CC4)c2c1C ZINC001158828669 1034290929 /nfs/dbraw/zinc/29/09/29/1034290929.db2.gz LTTTYFKPNQPZKY-UHFFFAOYSA-N 2 1 385.581 3.802 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207376740 1034321551 /nfs/dbraw/zinc/32/15/51/1034321551.db2.gz ZQMDOOSDLYAQOI-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207376740 1034321562 /nfs/dbraw/zinc/32/15/62/1034321562.db2.gz ZQMDOOSDLYAQOI-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001207376740 1034321568 /nfs/dbraw/zinc/32/15/68/1034321568.db2.gz ZQMDOOSDLYAQOI-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001207376740 1034321578 /nfs/dbraw/zinc/32/15/78/1034321578.db2.gz ZQMDOOSDLYAQOI-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001207402085 1034343797 /nfs/dbraw/zinc/34/37/97/1034343797.db2.gz WHIPIPQNZDZDDN-XMMPIXPASA-N 2 1 391.559 3.632 20 0 GHADMP [NH3+][C@@H](Cc1cccc2ccccc21)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158976534 1034366254 /nfs/dbraw/zinc/36/62/54/1034366254.db2.gz IRJSYPMFGCUGID-QHCPKHFHSA-N 2 1 391.559 3.577 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([N@@H+](CC2CCC2)CC2CC[NH2+]CC2)CC1 ZINC001207442051 1034370265 /nfs/dbraw/zinc/37/02/65/1034370265.db2.gz RUGZXWVDSIHTMH-MXVIHJGJSA-N 2 1 379.589 3.924 20 0 GHADMP Cc1cccc(CC[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001207535031 1034439430 /nfs/dbraw/zinc/43/94/30/1034439430.db2.gz SYOIHUAVMVSAHP-HSZRJFAPSA-N 2 1 379.548 3.688 20 0 GHADMP C[NH+]1CC(CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001159219794 1034492538 /nfs/dbraw/zinc/49/25/38/1034492538.db2.gz NLXMRBOLQFVGPY-UHFFFAOYSA-N 2 1 385.581 3.530 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC[C@H](C)CCCC(C)(C)O)C2 ZINC001207648494 1034507275 /nfs/dbraw/zinc/50/72/75/1034507275.db2.gz DESNJHDJPOMNBF-LSWJPFSZSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC[C@H](C)CCCC(C)(C)O)C2 ZINC001207648494 1034507289 /nfs/dbraw/zinc/50/72/89/1034507289.db2.gz DESNJHDJPOMNBF-LSWJPFSZSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC[C@H](C)CCCC(C)(C)O)C2 ZINC001207648494 1034507305 /nfs/dbraw/zinc/50/73/05/1034507305.db2.gz DESNJHDJPOMNBF-LSWJPFSZSA-N 2 1 380.617 3.634 20 0 GHADMP COC(=O)c1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)ccc1O ZINC001231417762 1034569695 /nfs/dbraw/zinc/56/96/95/1034569695.db2.gz LUCWYHWZFAOURY-FUDKSRODSA-N 2 1 394.515 3.789 20 0 GHADMP COC(=O)c1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)ccc1O ZINC001231417762 1034569703 /nfs/dbraw/zinc/56/97/03/1034569703.db2.gz LUCWYHWZFAOURY-FUDKSRODSA-N 2 1 394.515 3.789 20 0 GHADMP COC(=O)c1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)ccc1O ZINC001231417762 1034569713 /nfs/dbraw/zinc/56/97/13/1034569713.db2.gz LUCWYHWZFAOURY-FUDKSRODSA-N 2 1 394.515 3.789 20 0 GHADMP COC(=O)c1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)ccc1O ZINC001231417762 1034569718 /nfs/dbraw/zinc/56/97/18/1034569718.db2.gz LUCWYHWZFAOURY-FUDKSRODSA-N 2 1 394.515 3.789 20 0 GHADMP C[C@@H]1C[C@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001159391302 1034575785 /nfs/dbraw/zinc/57/57/85/1034575785.db2.gz QPNCLWWBHRQKST-JBACZVJFSA-N 2 1 393.579 3.804 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(=O)CCCCCCC[NH3+])CC2 ZINC001159412004 1034588976 /nfs/dbraw/zinc/58/89/76/1034588976.db2.gz NIYBLJNZIHIFCY-UHFFFAOYSA-N 2 1 386.584 3.584 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207827929 1034605246 /nfs/dbraw/zinc/60/52/46/1034605246.db2.gz PTDIAIROJDDXAF-SJORKVTESA-N 2 1 391.547 3.788 20 0 GHADMP C[NH+]1CCC2(CCC(NC(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)CC1 ZINC001159519086 1034635308 /nfs/dbraw/zinc/63/53/08/1034635308.db2.gz OGQROGDFAWPQDW-QFIPXVFZSA-N 2 1 397.607 3.712 20 0 GHADMP CCOc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)ccc1OC(=O)C(C)C ZINC001231561302 1034712414 /nfs/dbraw/zinc/71/24/14/1034712414.db2.gz UNIAGZZKKLGUKQ-UHFFFAOYSA-N 2 1 397.519 3.672 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001208104290 1034737942 /nfs/dbraw/zinc/73/79/42/1034737942.db2.gz KWYVGBLXGAQIRO-UHFFFAOYSA-N 2 1 379.589 3.831 20 0 GHADMP Fc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1OCC1CC[NH2+]CC1 ZINC001159880240 1034771886 /nfs/dbraw/zinc/77/18/86/1034771886.db2.gz ZKIKNJSNWJWHRB-UHFFFAOYSA-N 2 1 399.510 3.780 20 0 GHADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231652677 1034809261 /nfs/dbraw/zinc/80/92/61/1034809261.db2.gz HYOBUMBWKIWWNA-KSEOMHKRSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231652677 1034809275 /nfs/dbraw/zinc/80/92/75/1034809275.db2.gz HYOBUMBWKIWWNA-KSEOMHKRSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231652677 1034809284 /nfs/dbraw/zinc/80/92/84/1034809284.db2.gz HYOBUMBWKIWWNA-KSEOMHKRSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231652677 1034809290 /nfs/dbraw/zinc/80/92/90/1034809290.db2.gz HYOBUMBWKIWWNA-KSEOMHKRSA-N 2 1 380.536 3.608 20 0 GHADMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707283 1034849414 /nfs/dbraw/zinc/84/94/14/1034849414.db2.gz IAQOZCFTFPYVEV-OAQYLSRUSA-N 2 1 382.504 3.574 20 0 GHADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707283 1034849427 /nfs/dbraw/zinc/84/94/27/1034849427.db2.gz IAQOZCFTFPYVEV-OAQYLSRUSA-N 2 1 382.504 3.574 20 0 GHADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707283 1034849442 /nfs/dbraw/zinc/84/94/42/1034849442.db2.gz IAQOZCFTFPYVEV-OAQYLSRUSA-N 2 1 382.504 3.574 20 0 GHADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707283 1034849458 /nfs/dbraw/zinc/84/94/58/1034849458.db2.gz IAQOZCFTFPYVEV-OAQYLSRUSA-N 2 1 382.504 3.574 20 0 GHADMP c1cc(CC[NH+]2CCOCC2)cc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001160267008 1034924058 /nfs/dbraw/zinc/92/40/58/1034924058.db2.gz WXQYGACQVRYFOT-JOCHJYFZSA-N 2 1 379.548 3.847 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001208605513 1034952373 /nfs/dbraw/zinc/95/23/73/1034952373.db2.gz BCNGPSMQFLRABD-GOSISDBHSA-N 2 1 379.589 3.687 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC001208608431 1034953063 /nfs/dbraw/zinc/95/30/63/1034953063.db2.gz SLXQOBOMCSWSKI-JRGCBEDISA-N 2 1 385.552 3.547 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC001208608431 1034953068 /nfs/dbraw/zinc/95/30/68/1034953068.db2.gz SLXQOBOMCSWSKI-JRGCBEDISA-N 2 1 385.552 3.547 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC001208608431 1034953073 /nfs/dbraw/zinc/95/30/73/1034953073.db2.gz SLXQOBOMCSWSKI-JRGCBEDISA-N 2 1 385.552 3.547 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC001208608431 1034953079 /nfs/dbraw/zinc/95/30/79/1034953079.db2.gz SLXQOBOMCSWSKI-JRGCBEDISA-N 2 1 385.552 3.547 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208609242 1034953405 /nfs/dbraw/zinc/95/34/05/1034953405.db2.gz ZPQHRZWBCZKVFO-XUVXKRRUSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208609242 1034953409 /nfs/dbraw/zinc/95/34/09/1034953409.db2.gz ZPQHRZWBCZKVFO-XUVXKRRUSA-N 2 1 379.589 3.687 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)C1 ZINC001208616667 1034954745 /nfs/dbraw/zinc/95/47/45/1034954745.db2.gz KZGCQTUEWBYCFW-OAHLLOKOSA-N 2 1 379.342 3.560 20 0 GHADMP COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014991 1035045398 /nfs/dbraw/zinc/04/53/98/1035045398.db2.gz QHRVBHKRBXOSCK-UHFFFAOYSA-N 2 1 394.519 3.677 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ncccc3[nH]1)CC2 ZINC001232064790 1035074540 /nfs/dbraw/zinc/07/45/40/1035074540.db2.gz VKSTXCLQVMFQQI-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC3(C)CCCCC3)O2)CC1 ZINC001208900927 1035080548 /nfs/dbraw/zinc/08/05/48/1035080548.db2.gz VSEGUXPBQJADII-YPAWHYETSA-N 2 1 378.601 3.937 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930916 1035093782 /nfs/dbraw/zinc/09/37/82/1035093782.db2.gz GDSJFYQFNGNXAZ-FKBYEOEOSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930916 1035093792 /nfs/dbraw/zinc/09/37/92/1035093792.db2.gz GDSJFYQFNGNXAZ-FKBYEOEOSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930916 1035093801 /nfs/dbraw/zinc/09/38/01/1035093801.db2.gz GDSJFYQFNGNXAZ-FKBYEOEOSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931488 1035094843 /nfs/dbraw/zinc/09/48/43/1035094843.db2.gz KQQRGOGBDUJJNQ-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931488 1035094854 /nfs/dbraw/zinc/09/48/54/1035094854.db2.gz KQQRGOGBDUJJNQ-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931488 1035094860 /nfs/dbraw/zinc/09/48/60/1035094860.db2.gz KQQRGOGBDUJJNQ-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931488 1035094865 /nfs/dbraw/zinc/09/48/65/1035094865.db2.gz KQQRGOGBDUJJNQ-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208932394 1035097653 /nfs/dbraw/zinc/09/76/53/1035097653.db2.gz PPEYXWIOGUAXKL-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208932394 1035097659 /nfs/dbraw/zinc/09/76/59/1035097659.db2.gz PPEYXWIOGUAXKL-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208932394 1035097666 /nfs/dbraw/zinc/09/76/66/1035097666.db2.gz PPEYXWIOGUAXKL-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CN(C[C@H]4CCC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935764 1035101886 /nfs/dbraw/zinc/10/18/86/1035101886.db2.gz LJWBAMCPFDVKQK-KKUQBAQOSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CN(C[C@H]4CCC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935764 1035101892 /nfs/dbraw/zinc/10/18/92/1035101892.db2.gz LJWBAMCPFDVKQK-KKUQBAQOSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CN(C[C@H]4CCC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935764 1035101898 /nfs/dbraw/zinc/10/18/98/1035101898.db2.gz LJWBAMCPFDVKQK-KKUQBAQOSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935674 1035102469 /nfs/dbraw/zinc/10/24/69/1035102469.db2.gz LDEIVBKTYZNXRK-DSNGMDLFSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935674 1035102476 /nfs/dbraw/zinc/10/24/76/1035102476.db2.gz LDEIVBKTYZNXRK-DSNGMDLFSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935674 1035102480 /nfs/dbraw/zinc/10/24/80/1035102480.db2.gz LDEIVBKTYZNXRK-DSNGMDLFSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+](Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937200 1035105336 /nfs/dbraw/zinc/10/53/36/1035105336.db2.gz RNJNVIOXIOYPLX-HSZRJFAPSA-N 2 1 379.548 3.975 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+](Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937200 1035105338 /nfs/dbraw/zinc/10/53/38/1035105338.db2.gz RNJNVIOXIOYPLX-HSZRJFAPSA-N 2 1 379.548 3.975 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+](Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937200 1035105343 /nfs/dbraw/zinc/10/53/43/1035105343.db2.gz RNJNVIOXIOYPLX-HSZRJFAPSA-N 2 1 379.548 3.975 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+](Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937200 1035105349 /nfs/dbraw/zinc/10/53/49/1035105349.db2.gz RNJNVIOXIOYPLX-HSZRJFAPSA-N 2 1 379.548 3.975 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941518 1035109470 /nfs/dbraw/zinc/10/94/70/1035109470.db2.gz LFHTZSQLQIADSK-WWNPGLIZSA-N 2 1 378.516 3.745 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941518 1035109476 /nfs/dbraw/zinc/10/94/76/1035109476.db2.gz LFHTZSQLQIADSK-WWNPGLIZSA-N 2 1 378.516 3.745 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941518 1035109482 /nfs/dbraw/zinc/10/94/82/1035109482.db2.gz LFHTZSQLQIADSK-WWNPGLIZSA-N 2 1 378.516 3.745 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941904 1035111021 /nfs/dbraw/zinc/11/10/21/1035111021.db2.gz NOICBWNEDGYHTR-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941904 1035111022 /nfs/dbraw/zinc/11/10/22/1035111022.db2.gz NOICBWNEDGYHTR-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941904 1035111023 /nfs/dbraw/zinc/11/10/23/1035111023.db2.gz NOICBWNEDGYHTR-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941904 1035111025 /nfs/dbraw/zinc/11/10/25/1035111025.db2.gz NOICBWNEDGYHTR-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208943904 1035113318 /nfs/dbraw/zinc/11/33/18/1035113318.db2.gz WMIQWBVVSZCVRY-URXFXBBRSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943904 1035113327 /nfs/dbraw/zinc/11/33/27/1035113327.db2.gz WMIQWBVVSZCVRY-URXFXBBRSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943904 1035113335 /nfs/dbraw/zinc/11/33/35/1035113335.db2.gz WMIQWBVVSZCVRY-URXFXBBRSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)CC(=O)NC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208944923 1035115275 /nfs/dbraw/zinc/11/52/75/1035115275.db2.gz PQJWGQDGFZLZDB-OAQYLSRUSA-N 2 1 385.596 3.915 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945415 1035115735 /nfs/dbraw/zinc/11/57/35/1035115735.db2.gz NIGHTVUICRVYCZ-MOUTVQLLSA-N 2 1 384.564 3.557 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945415 1035115739 /nfs/dbraw/zinc/11/57/39/1035115739.db2.gz NIGHTVUICRVYCZ-MOUTVQLLSA-N 2 1 384.564 3.557 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945415 1035115745 /nfs/dbraw/zinc/11/57/45/1035115745.db2.gz NIGHTVUICRVYCZ-MOUTVQLLSA-N 2 1 384.564 3.557 20 0 GHADMP COc1cc(OC2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC001208944926 1035115838 /nfs/dbraw/zinc/11/58/38/1035115838.db2.gz PUPVHMQKWMBPML-OAQYLSRUSA-N 2 1 395.547 3.846 20 0 GHADMP CCOC[C@@H]1COCCC12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208951960 1035123810 /nfs/dbraw/zinc/12/38/10/1035123810.db2.gz ONQJKHTYGZFRRG-XZOQPEGZSA-N 2 1 386.580 3.664 20 0 GHADMP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953513 1035125214 /nfs/dbraw/zinc/12/52/14/1035125214.db2.gz QMWOOOGCXPFWDT-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953513 1035125221 /nfs/dbraw/zinc/12/52/21/1035125221.db2.gz QMWOOOGCXPFWDT-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953513 1035125225 /nfs/dbraw/zinc/12/52/25/1035125225.db2.gz QMWOOOGCXPFWDT-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953513 1035125229 /nfs/dbraw/zinc/12/52/29/1035125229.db2.gz QMWOOOGCXPFWDT-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]2C ZINC001232147578 1035125547 /nfs/dbraw/zinc/12/55/47/1035125547.db2.gz CJXAJXVCQJSDCB-QGZVFWFLSA-N 2 1 387.547 3.501 20 0 GHADMP Cc1ccc(C2(CC(=O)N(C)CC[N@@H+](C)Cc3ccccc3)CC[NH2+]CC2)cc1 ZINC001161161538 1035163311 /nfs/dbraw/zinc/16/33/11/1035163311.db2.gz WDQDWNXKTLBSEK-UHFFFAOYSA-N 2 1 393.575 3.597 20 0 GHADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311298 1035238033 /nfs/dbraw/zinc/23/80/33/1035238033.db2.gz XWQLPQMYMBKICO-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311298 1035238038 /nfs/dbraw/zinc/23/80/38/1035238038.db2.gz XWQLPQMYMBKICO-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311298 1035238045 /nfs/dbraw/zinc/23/80/45/1035238045.db2.gz XWQLPQMYMBKICO-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311298 1035238049 /nfs/dbraw/zinc/23/80/49/1035238049.db2.gz XWQLPQMYMBKICO-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP CC[C@H](C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209466296 1035281653 /nfs/dbraw/zinc/28/16/53/1035281653.db2.gz LEXTYOKYPXLIFP-PWRODBHTSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209466296 1035281656 /nfs/dbraw/zinc/28/16/56/1035281656.db2.gz LEXTYOKYPXLIFP-PWRODBHTSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209466296 1035281660 /nfs/dbraw/zinc/28/16/60/1035281660.db2.gz LEXTYOKYPXLIFP-PWRODBHTSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209466296 1035281664 /nfs/dbraw/zinc/28/16/64/1035281664.db2.gz LEXTYOKYPXLIFP-PWRODBHTSA-N 2 1 387.568 3.744 20 0 GHADMP Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)c2c1 ZINC001209493542 1035292634 /nfs/dbraw/zinc/29/26/34/1035292634.db2.gz QWQKBQLAPNKLOL-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2[nH]cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)c2c1 ZINC001209493542 1035292639 /nfs/dbraw/zinc/29/26/39/1035292639.db2.gz QWQKBQLAPNKLOL-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2[nH]cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)c2c1 ZINC001209493542 1035292644 /nfs/dbraw/zinc/29/26/44/1035292644.db2.gz QWQKBQLAPNKLOL-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP COc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(F)cc1Cl ZINC001209663377 1035347750 /nfs/dbraw/zinc/34/77/50/1035347750.db2.gz YGHCSXGIOILIHU-UHFFFAOYSA-N 2 1 384.923 3.812 20 0 GHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(C3CC[NH+](C(C)C)CC3)n2)c1 ZINC001248102503 1035532341 /nfs/dbraw/zinc/53/23/41/1035532341.db2.gz IJHZWSBRNCARCA-UHFFFAOYSA-N 2 1 393.491 3.712 20 0 GHADMP [NH3+][C@@H](Cc1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1)c1ccccc1 ZINC001248172750 1035599293 /nfs/dbraw/zinc/59/92/93/1035599293.db2.gz YRYOITLFDBOULR-VQTJNVASSA-N 2 1 389.434 3.850 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(Br)c2F)no1 ZINC001248194578 1035624202 /nfs/dbraw/zinc/62/42/02/1035624202.db2.gz KHEHTOBYRMUIRI-LBPRGKRZSA-N 2 1 389.244 3.509 20 0 GHADMP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462014666 1069946451 /nfs/dbraw/zinc/94/64/51/1069946451.db2.gz QVPNAYIRSBJEIH-PZEZIAQESA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001462014666 1069946457 /nfs/dbraw/zinc/94/64/57/1069946457.db2.gz QVPNAYIRSBJEIH-PZEZIAQESA-N 2 1 385.596 3.520 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C2)CC1 ZINC001248738217 1036095555 /nfs/dbraw/zinc/09/55/55/1036095555.db2.gz MXKRWJGDULWBMM-UHFFFAOYSA-N 2 1 385.552 3.902 20 0 GHADMP COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001244155813 1036398611 /nfs/dbraw/zinc/39/86/11/1036398611.db2.gz LAFRVTQXDDPCBY-LJQANCHMSA-N 2 1 394.563 3.883 20 0 GHADMP C[C@@](O)(C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1)c1ccccc1 ZINC001246003930 1037123648 /nfs/dbraw/zinc/12/36/48/1037123648.db2.gz GRIDMJAQJVLICJ-LJQANCHMSA-N 2 1 378.438 3.781 20 0 GHADMP O[C@@H](C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246026764 1037143599 /nfs/dbraw/zinc/14/35/99/1037143599.db2.gz JFBNFTFKTKSPAS-GOTSBHOMSA-N 2 1 380.532 3.523 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+](C)CC1(O)CC[NH2+]CC1 ZINC001246043208 1037157596 /nfs/dbraw/zinc/15/75/96/1037157596.db2.gz AVANHNFYPISGTJ-NSHDSACASA-N 2 1 384.364 3.832 20 0 GHADMP O[C@@H](C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246049871 1037162028 /nfs/dbraw/zinc/16/20/28/1037162028.db2.gz CMUMTXXGDYVJOR-NRFANRHFSA-N 2 1 378.438 3.639 20 0 GHADMP Cc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246063726 1037175234 /nfs/dbraw/zinc/17/52/34/1037175234.db2.gz BXTKXEUJYQQVAC-VABKMULXSA-N 2 1 382.548 3.815 20 0 GHADMP COc1ccccc1C[N@@H+](C[C@@H](O)COc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246065091 1037178383 /nfs/dbraw/zinc/17/83/83/1037178383.db2.gz GTWOIAVFQQGKMW-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@H](O)COc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246067335 1037179474 /nfs/dbraw/zinc/17/94/74/1037179474.db2.gz PMDFPBXHYJBROR-FKBYEOEOSA-N 2 1 386.511 3.646 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001246067285 1037181173 /nfs/dbraw/zinc/18/11/73/1037181173.db2.gz OZMQKZBDQVNNLU-DBXWQHBBSA-N 2 1 378.438 3.909 20 0 GHADMP O[C@]1(C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CCN(Cc2ccccc2)C1 ZINC001246067670 1037181200 /nfs/dbraw/zinc/18/12/00/1037181200.db2.gz UTFILEBZXDTAKV-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH+](Cc2ccccc2)C1 ZINC001246067670 1037181209 /nfs/dbraw/zinc/18/12/09/1037181209.db2.gz UTFILEBZXDTAKV-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[NH+](Cc2ccccc2)C1 ZINC001246067670 1037181219 /nfs/dbraw/zinc/18/12/19/1037181219.db2.gz UTFILEBZXDTAKV-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC001246067670 1037181228 /nfs/dbraw/zinc/18/12/28/1037181228.db2.gz UTFILEBZXDTAKV-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@@H]2c2c[nH]c3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001246067670 1037181235 /nfs/dbraw/zinc/18/12/35/1037181235.db2.gz UTFILEBZXDTAKV-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H](NCC4C[NH2+]C4)C[C@@H]23)cc1 ZINC001246089704 1037191445 /nfs/dbraw/zinc/19/14/45/1037191445.db2.gz BCNXLWVLNRNAOU-ISJGIBHGSA-N 2 1 375.560 3.560 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]CC4C[NH2+]C4)C[C@@H]23)cc1 ZINC001246089704 1037191462 /nfs/dbraw/zinc/19/14/62/1037191462.db2.gz BCNXLWVLNRNAOU-ISJGIBHGSA-N 3 1 375.560 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]CC4C[NH2+]C4)C[C@@H]23)cc1 ZINC001246089704 1037191479 /nfs/dbraw/zinc/19/14/79/1037191479.db2.gz BCNXLWVLNRNAOU-ISJGIBHGSA-N 3 1 375.560 3.560 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246122461 1037201549 /nfs/dbraw/zinc/20/15/49/1037201549.db2.gz QSNYZPAYRKGCNK-PZJWPPBQSA-N 3 1 389.653 3.998 20 0 GHADMP C[C@@H]1C[C@H](N[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001246133771 1037209680 /nfs/dbraw/zinc/20/96/80/1037209680.db2.gz QPVIRLKQMAKVJT-NWSQWKLXSA-N 2 1 391.559 3.885 20 0 GHADMP C[C@@H]1C[C@H](N[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001246133771 1037209691 /nfs/dbraw/zinc/20/96/91/1037209691.db2.gz QPVIRLKQMAKVJT-NWSQWKLXSA-N 2 1 391.559 3.885 20 0 GHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001246186272 1037228507 /nfs/dbraw/zinc/22/85/07/1037228507.db2.gz YUBIUEWKHAPDPE-OAHLLOKOSA-N 2 1 397.357 3.738 20 0 GHADMP CC1(C)C[C@H](N[C@@H](C2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246195884 1037232155 /nfs/dbraw/zinc/23/21/55/1037232155.db2.gz USFOALAIDPFLNR-MOPGFXCFSA-N 2 1 383.502 3.950 20 0 GHADMP Ic1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC001246196949 1037233104 /nfs/dbraw/zinc/23/31/04/1037233104.db2.gz IWGCSJHLDMKRMJ-QZTJIDSGSA-N 2 1 392.284 3.874 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256115 1037257469 /nfs/dbraw/zinc/25/74/69/1037257469.db2.gz MTJFSGVGHLYMBL-PIPMEXSNSA-N 2 1 382.504 3.600 20 0 GHADMP CC(C)(C)[C@H]1C[C@H](n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)CC[NH2+]1 ZINC001246295075 1037282846 /nfs/dbraw/zinc/28/28/46/1037282846.db2.gz SNJYOZVKBHYSFW-NFBKMPQASA-N 2 1 382.596 3.946 20 0 GHADMP COC(=O)[C@@H]([NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001246329040 1037298040 /nfs/dbraw/zinc/29/80/40/1037298040.db2.gz MWVSNSXWBKRQBW-MBSDFSHPSA-N 2 1 380.532 3.728 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC3(C2)CC[NH2+]CC3)c2ccccc12 ZINC001246357622 1037316582 /nfs/dbraw/zinc/31/65/82/1037316582.db2.gz XBZFWDFHLRFOQG-ICSRJNTNSA-N 2 1 397.563 3.948 20 0 GHADMP c1ccc(CCN2CCC([NH2+]CC3(c4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246372628 1037330197 /nfs/dbraw/zinc/33/01/97/1037330197.db2.gz CNKNPIFEXXKUDV-UHFFFAOYSA-N 2 1 377.576 3.605 20 0 GHADMP Fc1cccc(CC2(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246379252 1037336678 /nfs/dbraw/zinc/33/66/78/1037336678.db2.gz MBUKEEMVWAKGME-DHIUTWEWSA-N 3 1 381.539 3.821 20 0 GHADMP COc1cccc(CC2(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246382197 1037342453 /nfs/dbraw/zinc/34/24/53/1037342453.db2.gz ZELIIBJNPNRWSZ-VWNXMTODSA-N 3 1 393.575 3.690 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246412016 1037367365 /nfs/dbraw/zinc/36/73/65/1037367365.db2.gz DSAYVFGHSOSQFB-IBGZPJMESA-N 3 1 383.502 3.692 20 0 GHADMP CN1CCC[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246412016 1037367378 /nfs/dbraw/zinc/36/73/78/1037367378.db2.gz DSAYVFGHSOSQFB-IBGZPJMESA-N 2 1 383.502 3.692 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246420497 1037376444 /nfs/dbraw/zinc/37/64/44/1037376444.db2.gz IRUDVRLOLKWSRB-NZQKXSOJSA-N 3 1 396.554 3.524 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)CO2 ZINC001246421398 1037376660 /nfs/dbraw/zinc/37/66/60/1037376660.db2.gz RJYZHNYDSDMKEJ-WVBUVRCRSA-N 2 1 384.495 3.777 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246422679 1037380419 /nfs/dbraw/zinc/38/04/19/1037380419.db2.gz MSHPBAXHBMXMCV-MAUKXSAKSA-N 2 1 398.469 3.996 20 0 GHADMP C[C@H]1CC[C@@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246444134 1037406252 /nfs/dbraw/zinc/40/62/52/1037406252.db2.gz VRPVJEJTVFBWOS-UDTPNQRGSA-N 3 1 380.374 3.662 20 0 GHADMP C[C@H]1CC[C@@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246444134 1037406290 /nfs/dbraw/zinc/40/62/90/1037406290.db2.gz VRPVJEJTVFBWOS-UDTPNQRGSA-N 3 1 380.374 3.662 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246452754 1037414286 /nfs/dbraw/zinc/41/42/86/1037414286.db2.gz STTWBWVCGHXXNP-LSDHHAIUSA-N 2 1 384.442 3.606 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246479080 1037426530 /nfs/dbraw/zinc/42/65/30/1037426530.db2.gz RDXIZBRCIQOMOQ-WOJBJXKFSA-N 2 1 386.561 3.920 20 0 GHADMP FC1(F)CNCC[C@H]1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246487787 1037434597 /nfs/dbraw/zinc/43/45/97/1037434597.db2.gz MJPDROQKMILNKN-BURNTYAHSA-N 2 1 377.523 3.797 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC2 ZINC001246586868 1037488958 /nfs/dbraw/zinc/48/89/58/1037488958.db2.gz PJINBBLLXJFBSF-BJKOFHAPSA-N 2 1 392.543 3.514 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001246589841 1037493511 /nfs/dbraw/zinc/49/35/11/1037493511.db2.gz FZAYNORDGISLLP-HXUWFJFHSA-N 2 1 381.923 3.535 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246597659 1037496551 /nfs/dbraw/zinc/49/65/51/1037496551.db2.gz YCXVZGVDRNJOCA-LJQANCHMSA-N 2 1 380.374 3.869 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H](C)CSc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC001246609336 1037502819 /nfs/dbraw/zinc/50/28/19/1037502819.db2.gz LMODDGDQCPFPOL-QAPCUYQASA-N 2 1 396.984 3.828 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246617723 1037505394 /nfs/dbraw/zinc/50/53/94/1037505394.db2.gz FXIHFJFKXUSHKA-VABKMULXSA-N 3 1 385.596 3.566 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246617723 1037505410 /nfs/dbraw/zinc/50/54/10/1037505410.db2.gz FXIHFJFKXUSHKA-VABKMULXSA-N 3 1 385.596 3.566 20 0 GHADMP C[C@@H]1C[C@@H](N2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246619323 1037509578 /nfs/dbraw/zinc/50/95/78/1037509578.db2.gz NRNMGCCJJHIULL-QULZUTKDSA-N 2 1 375.560 3.999 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)C2 ZINC001246618672 1037510026 /nfs/dbraw/zinc/51/00/26/1037510026.db2.gz ITMORKYDCPDBDZ-VQTJNVASSA-N 2 1 383.333 3.605 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)C2 ZINC001246618672 1037510047 /nfs/dbraw/zinc/51/00/47/1037510047.db2.gz ITMORKYDCPDBDZ-VQTJNVASSA-N 2 1 383.333 3.605 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246624993 1037514281 /nfs/dbraw/zinc/51/42/81/1037514281.db2.gz QNPXXSNJFREYEP-SFTDATJTSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246624993 1037514299 /nfs/dbraw/zinc/51/42/99/1037514299.db2.gz QNPXXSNJFREYEP-SFTDATJTSA-N 2 1 397.360 3.995 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001246629213 1037516210 /nfs/dbraw/zinc/51/62/10/1037516210.db2.gz ZSHYXIUCOHJNIP-NJEKYYFSSA-N 2 1 390.955 3.911 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC001246629213 1037516218 /nfs/dbraw/zinc/51/62/18/1037516218.db2.gz ZSHYXIUCOHJNIP-NJEKYYFSSA-N 2 1 390.955 3.911 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246645836 1037525762 /nfs/dbraw/zinc/52/57/62/1037525762.db2.gz WLNDBYMISDYFQJ-NJEKYYFSSA-N 2 1 390.955 3.911 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246645836 1037525770 /nfs/dbraw/zinc/52/57/70/1037525770.db2.gz WLNDBYMISDYFQJ-NJEKYYFSSA-N 2 1 390.955 3.911 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[N@@H+]([C@@H]3CC[C@]4(c5ccccc5)CC[NH+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657322 1037531642 /nfs/dbraw/zinc/53/16/42/1037531642.db2.gz LODDRRYEOPGXCE-OPOYRNPBSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[NH+]([C@@H]3CC[C@]4(c5ccccc5)CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657322 1037531662 /nfs/dbraw/zinc/53/16/62/1037531662.db2.gz LODDRRYEOPGXCE-OPOYRNPBSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[NH+]([C@@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657322 1037531675 /nfs/dbraw/zinc/53/16/75/1037531675.db2.gz LODDRRYEOPGXCE-OPOYRNPBSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@@H]1[C@H]2CN([C@@H]3CC[C@]4(c5ccccc5)CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657322 1037531684 /nfs/dbraw/zinc/53/16/84/1037531684.db2.gz LODDRRYEOPGXCE-OPOYRNPBSA-N 2 1 387.571 3.640 20 0 GHADMP [NH3+][C@@H]1[C@H]2CN([C@@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657322 1037531690 /nfs/dbraw/zinc/53/16/90/1037531690.db2.gz LODDRRYEOPGXCE-OPOYRNPBSA-N 2 1 387.571 3.640 20 0 GHADMP CC1(C)COC2(CCC([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)OC1 ZINC001246675667 1037542515 /nfs/dbraw/zinc/54/25/15/1037542515.db2.gz XNAMLQMBZXRKQC-QPPBQGQZSA-N 2 1 398.591 3.952 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677251 1037543427 /nfs/dbraw/zinc/54/34/27/1037543427.db2.gz MGYDGQOMPLKOJY-ACESQOTJSA-N 2 1 378.516 3.586 20 0 GHADMP c1ccc(CN2CCC([N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246683232 1037545408 /nfs/dbraw/zinc/54/54/08/1037545408.db2.gz HTRCOKDPZGZHLB-RPBOFIJWSA-N 2 1 375.560 3.730 20 0 GHADMP c1ccc(CN2CCC([N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246683232 1037545425 /nfs/dbraw/zinc/54/54/25/1037545425.db2.gz HTRCOKDPZGZHLB-RPBOFIJWSA-N 2 1 375.560 3.730 20 0 GHADMP c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2[C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246701056 1037556332 /nfs/dbraw/zinc/55/63/32/1037556332.db2.gz NCJPRQNATUGJKB-VABKMULXSA-N 2 1 383.580 3.949 20 0 GHADMP CC[C@@H]1CC(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246704042 1037558163 /nfs/dbraw/zinc/55/81/63/1037558163.db2.gz UBYUZYBAIGURSX-RTBURBONSA-N 2 1 391.625 3.724 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1ccc(F)cc1 ZINC001246713950 1037564417 /nfs/dbraw/zinc/56/44/17/1037564417.db2.gz IQUVMNBBIBTTDH-IRLDBZIGSA-N 2 1 385.527 3.709 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+](C2CCC4(CC[NH2+]CC4)CC2)C3)nc1 ZINC001246713129 1037564641 /nfs/dbraw/zinc/56/46/41/1037564641.db2.gz XTYLBVXNGKIWTG-XUZZJYLKSA-N 2 1 399.579 3.644 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@@H]4CSC5(C[NH2+]C5)C4)CC3)C2)cc1 ZINC001246748725 1037588010 /nfs/dbraw/zinc/58/80/10/1037588010.db2.gz ZVGHQBQLXDOJNM-NRFANRHFSA-N 3 1 385.621 3.521 20 0 GHADMP c1cc(C[N@@H+]2CCC3(C2)CCN([C@@H]2CC[NH2+][C@@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749270 1037589120 /nfs/dbraw/zinc/58/91/20/1037589120.db2.gz BVNZKBFPRVHJDF-BJKOFHAPSA-N 2 1 393.575 3.931 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759091 1037601368 /nfs/dbraw/zinc/60/13/68/1037601368.db2.gz PZAXICVWPSAKMO-VXKWHMMOSA-N 2 1 385.596 3.520 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4CCC5(CCC[NH2+]C5)CC4)C3)CC2=O)s1 ZINC001246760223 1037601967 /nfs/dbraw/zinc/60/19/67/1037601967.db2.gz VIGPHBKMFIAIJU-FQUBMZHMSA-N 2 1 387.593 3.798 20 0 GHADMP CCCC[C@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761023 1037604425 /nfs/dbraw/zinc/60/44/25/1037604425.db2.gz YFRDEZQZQFLLMG-GOTSBHOMSA-N 2 1 385.596 3.664 20 0 GHADMP C(OC[C@]12COC[C@H]1C[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2)C1CCCC1 ZINC001246760612 1037604929 /nfs/dbraw/zinc/60/49/29/1037604929.db2.gz XCQZHJGSOIAQNO-YPAWHYETSA-N 2 1 376.585 3.597 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)C1=O ZINC001246772983 1037615366 /nfs/dbraw/zinc/61/53/66/1037615366.db2.gz DBTQHCOLBUIZSV-PBSMCPNCSA-N 2 1 381.564 3.555 20 0 GHADMP CC[C@@H]1CC([NH+]2CCN(Cc3cccc(Br)c3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246782876 1037622711 /nfs/dbraw/zinc/62/27/11/1037622711.db2.gz LWQBTFFMHTYFLC-RTBURBONSA-N 2 1 394.401 3.876 20 0 GHADMP CC[C@@H]1CC([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246783151 1037624159 /nfs/dbraw/zinc/62/41/59/1037624159.db2.gz NRYAJDHFNNMOCC-RTBURBONSA-N 2 1 394.401 3.876 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246802840 1037635251 /nfs/dbraw/zinc/63/52/51/1037635251.db2.gz XIPBCFPZFLEVBV-UKILVPOCSA-N 2 1 377.576 3.946 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246816788 1037650582 /nfs/dbraw/zinc/65/05/82/1037650582.db2.gz HSUZMXQANKPZAE-DOTOQJQBSA-N 2 1 384.490 3.779 20 0 GHADMP c1ccc(C[C@@H]2C[NH2+]CCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246819824 1037652993 /nfs/dbraw/zinc/65/29/93/1037652993.db2.gz TVQBLSJULRVIKZ-WSOYEBOPSA-N 2 1 375.560 3.699 20 0 GHADMP Clc1ccc2nc(N3CCC[N@H+]([C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)sc2c1 ZINC001246823579 1037654507 /nfs/dbraw/zinc/65/45/07/1037654507.db2.gz QCRAPKPRNANDNF-ZSHCYNCHSA-N 2 1 376.957 3.745 20 0 GHADMP Cc1ccccc1O[C@H](CC[N@H+](C)[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246824055 1037655704 /nfs/dbraw/zinc/65/57/04/1037655704.db2.gz OLWXRVDVRYQZOJ-FYYLOGMGSA-N 2 1 379.548 3.531 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)CC[NH2+]2)cc1 ZINC001246854228 1037677404 /nfs/dbraw/zinc/67/74/04/1037677404.db2.gz PPAPNGLJZFFEGG-JWQCQUIFSA-N 3 1 389.587 3.948 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C1)C2 ZINC001246880771 1037694886 /nfs/dbraw/zinc/69/48/86/1037694886.db2.gz RUIPMLLIHBMHMN-RRZZWSPOSA-N 2 1 384.564 3.748 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246885295 1037700635 /nfs/dbraw/zinc/70/06/35/1037700635.db2.gz DLYHFWXCAZCZNR-PMOLBWCYSA-N 2 1 377.960 3.797 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246885295 1037700654 /nfs/dbraw/zinc/70/06/54/1037700654.db2.gz DLYHFWXCAZCZNR-PMOLBWCYSA-N 2 1 377.960 3.797 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888064 1037703081 /nfs/dbraw/zinc/70/30/81/1037703081.db2.gz MUDXYPDWXDTJMZ-WOJBJXKFSA-N 2 1 377.960 3.799 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888064 1037703099 /nfs/dbraw/zinc/70/30/99/1037703099.db2.gz MUDXYPDWXDTJMZ-WOJBJXKFSA-N 2 1 377.960 3.799 20 0 GHADMP CSc1nc(Cl)cc(N2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)n1 ZINC001246910888 1037718479 /nfs/dbraw/zinc/71/84/79/1037718479.db2.gz LCFZXYYLGDVPLF-HUUCEWRRSA-N 2 1 398.020 3.531 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC([N@H+]3C[C@H]4CN[C@@H]4C3)CC2)cc1 ZINC001246925576 1037730667 /nfs/dbraw/zinc/73/06/67/1037730667.db2.gz PLRINVYPGWLQFG-WXPCENJTSA-N 2 1 375.560 3.904 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N3C[C@H]4C[NH2+][C@@H]4C3)CC2)cc1 ZINC001246925576 1037730684 /nfs/dbraw/zinc/73/06/84/1037730684.db2.gz PLRINVYPGWLQFG-WXPCENJTSA-N 2 1 375.560 3.904 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1)CC2 ZINC001246934421 1037737542 /nfs/dbraw/zinc/73/75/42/1037737542.db2.gz IIBZAGSOCZUERV-WBWZNMHFSA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1)CC2 ZINC001246934421 1037737556 /nfs/dbraw/zinc/73/75/56/1037737556.db2.gz IIBZAGSOCZUERV-WBWZNMHFSA-N 2 1 388.527 3.892 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1 ZINC001246941174 1037744757 /nfs/dbraw/zinc/74/47/57/1037744757.db2.gz HNUCNRYOHCURHD-DQEYMECFSA-N 3 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246941174 1037744774 /nfs/dbraw/zinc/74/47/74/1037744774.db2.gz HNUCNRYOHCURHD-DQEYMECFSA-N 2 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCN[C@@H](Cc3ccccc3)C2)cc1 ZINC001246941174 1037744794 /nfs/dbraw/zinc/74/47/94/1037744794.db2.gz HNUCNRYOHCURHD-DQEYMECFSA-N 2 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)cc1 ZINC001246941175 1037745261 /nfs/dbraw/zinc/74/52/61/1037745261.db2.gz HNUCNRYOHCURHD-JWQCQUIFSA-N 3 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@H+](CC2CC[NH2+]CC2)[C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246941175 1037745283 /nfs/dbraw/zinc/74/52/83/1037745283.db2.gz HNUCNRYOHCURHD-JWQCQUIFSA-N 2 1 395.566 3.991 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCN[C@H](Cc3ccccc3)C2)cc1 ZINC001246941175 1037745300 /nfs/dbraw/zinc/74/53/00/1037745300.db2.gz HNUCNRYOHCURHD-JWQCQUIFSA-N 2 1 395.566 3.991 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1)CC2 ZINC001246944991 1037749433 /nfs/dbraw/zinc/74/94/33/1037749433.db2.gz WNDQTKMEQRDEIH-YUVVGHDESA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CC1 ZINC001246946445 1037749762 /nfs/dbraw/zinc/74/97/62/1037749762.db2.gz NBGUGHOZWQQPSN-IBGZPJMESA-N 2 1 393.959 3.905 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3c(cccc3OC)C2)cc1F ZINC001246959454 1037778225 /nfs/dbraw/zinc/77/82/25/1037778225.db2.gz IPWKOOQERPQVKG-FQEVSTJZSA-N 2 1 398.522 3.954 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1)C2 ZINC001246960791 1037780519 /nfs/dbraw/zinc/78/05/19/1037780519.db2.gz ODEDGFDRBIBXFS-FQEVSTJZSA-N 2 1 384.495 3.564 20 0 GHADMP CCCCOC(=O)CC[C@H](C)[N@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001246961270 1037783909 /nfs/dbraw/zinc/78/39/09/1037783909.db2.gz PPVMPPSMBNTSNG-KRWDZBQOSA-N 2 1 394.531 3.900 20 0 GHADMP CCCCOC(=O)CC[C@H](C)[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001246961270 1037783928 /nfs/dbraw/zinc/78/39/28/1037783928.db2.gz PPVMPPSMBNTSNG-KRWDZBQOSA-N 2 1 394.531 3.900 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246963587 1037784923 /nfs/dbraw/zinc/78/49/23/1037784923.db2.gz HXAHCKRUHAMVLZ-GYXMONNMSA-N 2 1 388.552 3.889 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969926 1037793785 /nfs/dbraw/zinc/79/37/85/1037793785.db2.gz MMBLFNVXPZCGRV-OAGGEKHMSA-N 2 1 386.462 3.649 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969926 1037793794 /nfs/dbraw/zinc/79/37/94/1037793794.db2.gz MMBLFNVXPZCGRV-OAGGEKHMSA-N 2 1 386.462 3.649 20 0 GHADMP FC(F)(F)c1cc(O[C@H]2CCC[N@@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)ncn1 ZINC001246971839 1037794082 /nfs/dbraw/zinc/79/40/82/1037794082.db2.gz YHNRPKDSSCEPGB-CVEARBPZSA-N 2 1 398.473 3.794 20 0 GHADMP FC(F)(F)c1cc(O[C@H]2CCC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)ncn1 ZINC001246971839 1037794100 /nfs/dbraw/zinc/79/41/00/1037794100.db2.gz YHNRPKDSSCEPGB-CVEARBPZSA-N 2 1 398.473 3.794 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ccc(C(=O)NCCC)cc3)C2)CC[NH2+]1 ZINC001246974308 1037797656 /nfs/dbraw/zinc/79/76/56/1037797656.db2.gz PGXJZECAZUQKBY-URVUXULASA-N 2 1 387.568 3.590 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)CC[C@H]2C1 ZINC001246977000 1037802727 /nfs/dbraw/zinc/80/27/27/1037802727.db2.gz XIWBGTASYWJOEM-NRTAZHGZSA-N 2 1 395.591 3.781 20 0 GHADMP CC[C@H]1CC([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246984555 1037810014 /nfs/dbraw/zinc/81/00/14/1037810014.db2.gz MBUBBPGLXRKTGE-PMACEKPBSA-N 2 1 379.552 3.575 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC[NH2+]1 ZINC001246988023 1037810891 /nfs/dbraw/zinc/81/08/91/1037810891.db2.gz WHGVGGNYGIQERD-IRLDBZIGSA-N 2 1 379.552 3.576 20 0 GHADMP Fc1cccc2c1nc(-c1ccc(C[NH+]3CCOCC3)cc1)n2C1CC[NH2+]CC1 ZINC001247026510 1037847001 /nfs/dbraw/zinc/84/70/01/1037847001.db2.gz WXWUUXZZFZKIMZ-UHFFFAOYSA-N 2 1 394.494 3.599 20 0 GHADMP CSc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232364763 1038142697 /nfs/dbraw/zinc/14/26/97/1038142697.db2.gz YMQUCOZSAASBPY-FQEVSTJZSA-N 2 1 382.577 3.892 20 0 GHADMP c1cncc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4cccc5c4CCCC5)CC[C@@H]3C2)c1 ZINC001232636088 1038422513 /nfs/dbraw/zinc/42/25/13/1038422513.db2.gz AGJBHGNRAKWWTM-ILBGXUMGSA-N 2 1 391.559 3.683 20 0 GHADMP c1cncc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4cccc5c4CCCC5)CC[C@@H]3C2)c1 ZINC001232636088 1038422521 /nfs/dbraw/zinc/42/25/21/1038422521.db2.gz AGJBHGNRAKWWTM-ILBGXUMGSA-N 2 1 391.559 3.683 20 0 GHADMP c1cncc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4cccc5c4CCCC5)CC[C@@H]3C2)c1 ZINC001232636088 1038422526 /nfs/dbraw/zinc/42/25/26/1038422526.db2.gz AGJBHGNRAKWWTM-ILBGXUMGSA-N 2 1 391.559 3.683 20 0 GHADMP COc1ccc2cccc(-c3noc([C@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)c2c1 ZINC001247905720 1038479046 /nfs/dbraw/zinc/47/90/46/1038479046.db2.gz PNQAMEMBBHJHJC-KRWDZBQOSA-N 2 1 392.503 3.830 20 0 GHADMP Clc1cc(Cl)cc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247907017 1038480835 /nfs/dbraw/zinc/48/08/35/1038480835.db2.gz QEAMJSWJVIMGBD-GFCCVEGCSA-N 2 1 381.307 3.975 20 0 GHADMP CCN(CC)c1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1 ZINC001247910067 1038482474 /nfs/dbraw/zinc/48/24/74/1038482474.db2.gz ZNOFCARHHKEODQ-UHFFFAOYSA-N 2 1 383.540 3.514 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1Br)CC1CC[NH+](C)CC1 ZINC001232713600 1038512572 /nfs/dbraw/zinc/51/25/72/1038512572.db2.gz QMBYHJUOQLIWCT-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP c1nc2cccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c2s1 ZINC001232733792 1038524812 /nfs/dbraw/zinc/52/48/12/1038524812.db2.gz OKIWEMAMSGCDPZ-UHFFFAOYSA-N 2 1 381.549 3.537 20 0 GHADMP C[N@H+]1CC[C@]2(CCN(Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770623 1038545565 /nfs/dbraw/zinc/54/55/65/1038545565.db2.gz QDNUIOPICGJIKM-NRFANRHFSA-N 2 1 391.581 3.569 20 0 GHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770623 1038545567 /nfs/dbraw/zinc/54/55/67/1038545567.db2.gz QDNUIOPICGJIKM-NRFANRHFSA-N 2 1 391.581 3.569 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770623 1038545575 /nfs/dbraw/zinc/54/55/75/1038545575.db2.gz QDNUIOPICGJIKM-NRFANRHFSA-N 2 1 391.581 3.569 20 0 GHADMP C[NH+]1CCN(c2ccc(-c3noc([C@H]4CC[N@H+]4C4CCCCC4)n3)cc2)CC1 ZINC001248033424 1038547488 /nfs/dbraw/zinc/54/74/88/1038547488.db2.gz GVZXJYAJTNESQL-HXUWFJFHSA-N 2 1 381.524 3.568 20 0 GHADMP Clc1cc2[nH]cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2cn1 ZINC001232821767 1038576490 /nfs/dbraw/zinc/57/64/90/1038576490.db2.gz XAXQYGYCEAQMSI-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cc2[nH]cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c2cn1 ZINC001232821767 1038576503 /nfs/dbraw/zinc/57/65/03/1038576503.db2.gz XAXQYGYCEAQMSI-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cc2[nH]cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c2cn1 ZINC001232821767 1038576520 /nfs/dbraw/zinc/57/65/20/1038576520.db2.gz XAXQYGYCEAQMSI-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cc2[nH]cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c2cn1 ZINC001232821767 1038576536 /nfs/dbraw/zinc/57/65/36/1038576536.db2.gz XAXQYGYCEAQMSI-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001233035719 1038791872 /nfs/dbraw/zinc/79/18/72/1038791872.db2.gz IDIZSTILGCELRZ-GOSISDBHSA-N 2 1 375.900 3.910 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001233035719 1038791877 /nfs/dbraw/zinc/79/18/77/1038791877.db2.gz IDIZSTILGCELRZ-GOSISDBHSA-N 2 1 375.900 3.910 20 0 GHADMP CN(C)c1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c(F)n1 ZINC001233115734 1038904744 /nfs/dbraw/zinc/90/47/44/1038904744.db2.gz DTOMVVAMPSMQOW-LJQANCHMSA-N 2 1 386.515 3.756 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C)c(O)c4)CC3)C2)cc1 ZINC001233232745 1038994622 /nfs/dbraw/zinc/99/46/22/1038994622.db2.gz NGQIXWYXSVLNDF-UHFFFAOYSA-N 2 1 380.532 3.876 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cnn3ccccc13)CC2 ZINC001233236950 1038995731 /nfs/dbraw/zinc/99/57/31/1038995731.db2.gz MYUWEIBBSYAAPL-QFIPXVFZSA-N 2 1 390.531 3.590 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cnn3ccccc13)CC2 ZINC001233236949 1038995825 /nfs/dbraw/zinc/99/58/25/1038995825.db2.gz MYUWEIBBSYAAPL-JOCHJYFZSA-N 2 1 390.531 3.590 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275016 1039043106 /nfs/dbraw/zinc/04/31/06/1039043106.db2.gz LABRAUOZAMVQSM-LJQANCHMSA-N 2 1 398.572 3.939 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5c4CCO5)CC3)C2)cc1 ZINC001233275763 1039045347 /nfs/dbraw/zinc/04/53/47/1039045347.db2.gz MTODZTSXPAJVET-UHFFFAOYSA-N 2 1 392.543 3.797 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276421 1039046386 /nfs/dbraw/zinc/04/63/86/1039046386.db2.gz LWVCOMGPQKFULD-WTIAFYNJSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276421 1039046400 /nfs/dbraw/zinc/04/64/00/1039046400.db2.gz LWVCOMGPQKFULD-WTIAFYNJSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276421 1039046415 /nfs/dbraw/zinc/04/64/15/1039046415.db2.gz LWVCOMGPQKFULD-WTIAFYNJSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276421 1039046426 /nfs/dbraw/zinc/04/64/26/1039046426.db2.gz LWVCOMGPQKFULD-WTIAFYNJSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCO4)C[C@@H]21 ZINC001233276421 1039046446 /nfs/dbraw/zinc/04/64/46/1039046446.db2.gz LWVCOMGPQKFULD-WTIAFYNJSA-N 2 1 377.532 3.749 20 0 GHADMP CC[N@@H+](CCCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)C1CCCCC1 ZINC001252697223 1039086281 /nfs/dbraw/zinc/08/62/81/1039086281.db2.gz XDBBYKJVVOSHNS-LJQANCHMSA-N 2 1 378.605 3.737 20 0 GHADMP CC[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001252697223 1039086298 /nfs/dbraw/zinc/08/62/98/1039086298.db2.gz XDBBYKJVVOSHNS-LJQANCHMSA-N 2 1 378.605 3.737 20 0 GHADMP CC[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001252697223 1039086316 /nfs/dbraw/zinc/08/63/16/1039086316.db2.gz XDBBYKJVVOSHNS-LJQANCHMSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC001252931457 1039268837 /nfs/dbraw/zinc/26/88/37/1039268837.db2.gz KRHDFTBWHZIBLX-PZJWPPBQSA-N 2 1 380.621 3.793 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H]1CCC1CCCCC1 ZINC001252931457 1039268850 /nfs/dbraw/zinc/26/88/50/1039268850.db2.gz KRHDFTBWHZIBLX-PZJWPPBQSA-N 2 1 380.621 3.793 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)cc1 ZINC001252932885 1039269930 /nfs/dbraw/zinc/26/99/30/1039269930.db2.gz ZCJGWUCRTHDTNA-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001252932885 1039269945 /nfs/dbraw/zinc/26/99/45/1039269945.db2.gz ZCJGWUCRTHDTNA-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001252932885 1039269954 /nfs/dbraw/zinc/26/99/54/1039269954.db2.gz ZCJGWUCRTHDTNA-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@@H]2CCC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001252932885 1039269965 /nfs/dbraw/zinc/26/99/65/1039269965.db2.gz ZCJGWUCRTHDTNA-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@@H]2CCC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001252932885 1039269980 /nfs/dbraw/zinc/26/99/80/1039269980.db2.gz ZCJGWUCRTHDTNA-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP O[C@@]1(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC[N@H+](Cc2ccccc2)C1 ZINC001252951857 1039296221 /nfs/dbraw/zinc/29/62/21/1039296221.db2.gz WCRSUMBZFJEUKC-JOCHJYFZSA-N 2 1 383.923 3.590 20 0 GHADMP O[C@@]1(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951857 1039296232 /nfs/dbraw/zinc/29/62/32/1039296232.db2.gz WCRSUMBZFJEUKC-JOCHJYFZSA-N 2 1 383.923 3.590 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@](C)(O)c1ccccc1)CC2 ZINC001253099133 1039420925 /nfs/dbraw/zinc/42/09/25/1039420925.db2.gz FJXIKVZKFBRFJP-ZEQRLZLVSA-N 2 1 394.559 3.650 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC001253394145 1039597095 /nfs/dbraw/zinc/59/70/95/1039597095.db2.gz AKZLMSVWZXRHEI-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC001253394145 1039597109 /nfs/dbraw/zinc/59/71/09/1039597109.db2.gz AKZLMSVWZXRHEI-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC001253394145 1039597118 /nfs/dbraw/zinc/59/71/18/1039597118.db2.gz AKZLMSVWZXRHEI-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CCC[N@@H+](Cc4scnc4C)C3)CC2)s1 ZINC001278720340 1039621278 /nfs/dbraw/zinc/62/12/78/1039621278.db2.gz HEDVBYWVFVJGNR-UHFFFAOYSA-N 2 1 392.594 3.795 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Br)c(OC)cc3OC)(C1)CCC2 ZINC001278734919 1039758383 /nfs/dbraw/zinc/75/83/83/1039758383.db2.gz CLAPARZOMYCGQZ-ZWKOTPCHSA-N 2 1 383.330 3.621 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254199708 1040047887 /nfs/dbraw/zinc/04/78/87/1040047887.db2.gz PVJGDUHBBJOWJN-GOSISDBHSA-N 2 1 388.556 3.718 20 0 GHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254242955 1040093226 /nfs/dbraw/zinc/09/32/26/1040093226.db2.gz DYVGNDZKDJCJBC-KBAYOESNSA-N 2 1 381.561 3.673 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254297102 1040148580 /nfs/dbraw/zinc/14/85/80/1040148580.db2.gz IJFXCKUXGUYESP-GUDVDZBRSA-N 2 1 395.588 3.527 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCc4ccccc4CC3)CC2)C1 ZINC001254459269 1040244506 /nfs/dbraw/zinc/24/45/06/1040244506.db2.gz YPWPZCKABRCHIV-OAQYLSRUSA-N 2 1 384.564 3.674 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCc4ccccc4CC3)CC2)C1 ZINC001254459269 1040244518 /nfs/dbraw/zinc/24/45/18/1040244518.db2.gz YPWPZCKABRCHIV-OAQYLSRUSA-N 2 1 384.564 3.674 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCc4ccccc4CC3)CC2)C1 ZINC001254459268 1040245043 /nfs/dbraw/zinc/24/50/43/1040245043.db2.gz YPWPZCKABRCHIV-NRFANRHFSA-N 2 1 384.564 3.674 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3CCc4ccccc4CC3)CC2)C1 ZINC001254459268 1040245057 /nfs/dbraw/zinc/24/50/57/1040245057.db2.gz YPWPZCKABRCHIV-NRFANRHFSA-N 2 1 384.564 3.674 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]C2(Cc3cccc(Br)c3)CCOCC2)CC1 ZINC001254509924 1040288778 /nfs/dbraw/zinc/28/87/78/1040288778.db2.gz KFKKQEDBJBLZPH-SFHVURJKSA-N 2 1 381.358 3.615 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]C2(Cc3ccccc3Br)CCOCC2)CC1 ZINC001254512652 1040289665 /nfs/dbraw/zinc/28/96/65/1040289665.db2.gz PWCCXUMJAPRKBU-KRWDZBQOSA-N 2 1 381.358 3.615 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001254530563 1040301547 /nfs/dbraw/zinc/30/15/47/1040301547.db2.gz YQPYEIKDUYGSPS-YZUZCNPQSA-N 2 1 399.579 3.591 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001254530563 1040301553 /nfs/dbraw/zinc/30/15/53/1040301553.db2.gz YQPYEIKDUYGSPS-YZUZCNPQSA-N 2 1 399.579 3.591 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001254530563 1040301567 /nfs/dbraw/zinc/30/15/67/1040301567.db2.gz YQPYEIKDUYGSPS-YZUZCNPQSA-N 2 1 399.579 3.591 20 0 GHADMP Fc1ccc(N2CCC([N@H+]3C[C@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)cc1 ZINC001254624786 1040398053 /nfs/dbraw/zinc/39/80/53/1040398053.db2.gz BVYZNPGHFQXHEP-HDICACEKSA-N 2 1 385.552 3.920 20 0 GHADMP Fc1ccc(N2CCC([N@@H+]3C[C@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)cc1 ZINC001254624786 1040398058 /nfs/dbraw/zinc/39/80/58/1040398058.db2.gz BVYZNPGHFQXHEP-HDICACEKSA-N 2 1 385.552 3.920 20 0 GHADMP Fc1ccc(N2CCC([NH+]3C[C@H]4C[N@@H+](Cc5cccs5)C[C@H]4C3)CC2)cc1 ZINC001254624786 1040398069 /nfs/dbraw/zinc/39/80/69/1040398069.db2.gz BVYZNPGHFQXHEP-HDICACEKSA-N 2 1 385.552 3.920 20 0 GHADMP Fc1ccc(N2CCC([NH+]3C[C@H]4C[N@H+](Cc5cccs5)C[C@H]4C3)CC2)cc1 ZINC001254624786 1040398076 /nfs/dbraw/zinc/39/80/76/1040398076.db2.gz BVYZNPGHFQXHEP-HDICACEKSA-N 2 1 385.552 3.920 20 0 GHADMP CCOC(=O)c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001234949746 1040452414 /nfs/dbraw/zinc/45/24/14/1040452414.db2.gz DJBFEQCGDWTWIG-NHCUHLMSSA-N 2 1 381.520 3.535 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254758516 1040520313 /nfs/dbraw/zinc/52/03/13/1040520313.db2.gz RDTCZZUZBFVMBU-CEXWTWQISA-N 2 1 379.589 3.734 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001254767342 1040528328 /nfs/dbraw/zinc/52/83/28/1040528328.db2.gz UWOSBRKFPJHQPM-OALUTQOASA-N 2 1 377.573 3.630 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001254767342 1040528345 /nfs/dbraw/zinc/52/83/45/1040528345.db2.gz UWOSBRKFPJHQPM-OALUTQOASA-N 2 1 377.573 3.630 20 0 GHADMP COc1cc(C[N@@H+]2CCCC23CC[NH2+]CC3)ccc1OC(=O)c1cccs1 ZINC001235139589 1040632914 /nfs/dbraw/zinc/63/29/14/1040632914.db2.gz ARUZOXZYEDUCLY-UHFFFAOYSA-N 2 1 386.517 3.694 20 0 GHADMP COc1cc(C[N@H+]2CCCC23CC[NH2+]CC3)ccc1OC(=O)c1cccs1 ZINC001235139589 1040632926 /nfs/dbraw/zinc/63/29/26/1040632926.db2.gz ARUZOXZYEDUCLY-UHFFFAOYSA-N 2 1 386.517 3.694 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1O ZINC001235151810 1040642549 /nfs/dbraw/zinc/64/25/49/1040642549.db2.gz BQBCWPJXTJBKQX-MRXNPFEDSA-N 2 1 383.330 3.517 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235160220 1040653052 /nfs/dbraw/zinc/65/30/52/1040653052.db2.gz ZSDGCGKZPYKFCP-KRWDZBQOSA-N 2 1 382.346 3.597 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)C[C@@H]2C1 ZINC001254910709 1040661879 /nfs/dbraw/zinc/66/18/79/1040661879.db2.gz KUVBCUJQLLITST-MHTWAQMVSA-N 2 1 391.600 3.972 20 0 GHADMP Brc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c2nsnc21 ZINC001235239890 1040721556 /nfs/dbraw/zinc/72/15/56/1040721556.db2.gz KMJHZHLJIQVQKR-OAHLLOKOSA-N 2 1 395.370 3.808 20 0 GHADMP OCC1([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255069958 1040763020 /nfs/dbraw/zinc/76/30/20/1040763020.db2.gz ROODOVOUBKFWAU-VDKIKQQVSA-N 2 1 376.544 3.866 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc3occc3c1)C2 ZINC001235324711 1040794456 /nfs/dbraw/zinc/79/44/56/1040794456.db2.gz JYYGWQVBZDATTM-NZQKXSOJSA-N 2 1 382.504 3.578 20 0 GHADMP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccc(F)cc1 ZINC001255126781 1040821156 /nfs/dbraw/zinc/82/11/56/1040821156.db2.gz PDACFGAVUOMJFC-KOUNCHBCSA-N 2 1 381.495 3.940 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3c4ccccc4[nH]c3C(C)(C)C)C[C@@H]1CC[NH2+]CC2 ZINC001235349058 1040823579 /nfs/dbraw/zinc/82/35/79/1040823579.db2.gz JZGJQCSAYXEEGZ-XDHUDOTRSA-N 2 1 397.563 3.830 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn21 ZINC001255131842 1040828328 /nfs/dbraw/zinc/82/83/28/1040828328.db2.gz GWTOQEKHEXPRLC-MZADTFQBSA-N 2 1 375.520 3.577 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn21 ZINC001255131842 1040828345 /nfs/dbraw/zinc/82/83/45/1040828345.db2.gz GWTOQEKHEXPRLC-MZADTFQBSA-N 2 1 375.520 3.577 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2(c4cccnc4)CCOCC2)C3)cc1 ZINC001255133813 1040831157 /nfs/dbraw/zinc/83/11/57/1040831157.db2.gz VUWLGGVFFKNURX-JOZNFPNDSA-N 2 1 391.559 3.915 20 0 GHADMP CC(=O)N1CCC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255140487 1040848337 /nfs/dbraw/zinc/84/83/37/1040848337.db2.gz JQISDHVKYKMWCA-NUNAXRQHSA-N 2 1 381.564 3.516 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CC[C@]4(C[C@@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142049 1040850781 /nfs/dbraw/zinc/85/07/81/1040850781.db2.gz FREMXEXHBSDGOS-MQZWXTIWSA-N 2 1 396.575 3.842 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@]4(C[C@@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142049 1040850798 /nfs/dbraw/zinc/85/07/98/1040850798.db2.gz FREMXEXHBSDGOS-MQZWXTIWSA-N 2 1 396.575 3.842 20 0 GHADMP CC(C)CC(=O)NC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255145948 1040857205 /nfs/dbraw/zinc/85/72/05/1040857205.db2.gz XXMNILFPAKBTGM-NUNAXRQHSA-N 2 1 383.580 3.809 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ncn1 ZINC001255150641 1040871822 /nfs/dbraw/zinc/87/18/22/1040871822.db2.gz ODTYKKWRHHCCRQ-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ncn1 ZINC001255150641 1040871836 /nfs/dbraw/zinc/87/18/36/1040871836.db2.gz ODTYKKWRHHCCRQ-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC001255150641 1040871854 /nfs/dbraw/zinc/87/18/54/1040871854.db2.gz ODTYKKWRHHCCRQ-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC001255150641 1040871873 /nfs/dbraw/zinc/87/18/73/1040871873.db2.gz ODTYKKWRHHCCRQ-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235372799 1040879072 /nfs/dbraw/zinc/87/90/72/1040879072.db2.gz VDWHDJGIZWESQI-LADGPHEKSA-N 3 1 381.539 3.641 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235372799 1040879087 /nfs/dbraw/zinc/87/90/87/1040879087.db2.gz VDWHDJGIZWESQI-LADGPHEKSA-N 3 1 381.539 3.641 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001255186396 1040891515 /nfs/dbraw/zinc/89/15/15/1040891515.db2.gz UJNOOCBDZWIGQO-KMKNWIINSA-N 2 1 385.552 3.781 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001255186396 1040891534 /nfs/dbraw/zinc/89/15/34/1040891534.db2.gz UJNOOCBDZWIGQO-KMKNWIINSA-N 2 1 385.552 3.781 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001255187264 1040893788 /nfs/dbraw/zinc/89/37/88/1040893788.db2.gz CCSVNMSLUXRPSP-OGXDUAGGSA-N 2 1 397.563 3.639 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)cc2)c1 ZINC001235378777 1040896427 /nfs/dbraw/zinc/89/64/27/1040896427.db2.gz KBTBTLHXBMDDOA-AGILITTLSA-N 2 1 377.532 3.716 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1 ZINC001235380351 1040900878 /nfs/dbraw/zinc/90/08/78/1040900878.db2.gz UOBSLMQWQCERAH-BHIYHBOVSA-N 2 1 379.342 3.525 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235396805 1040911475 /nfs/dbraw/zinc/91/14/75/1040911475.db2.gz MHYSWDILLBWWFQ-SFTDATJTSA-N 2 1 382.479 3.649 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3cc(Br)ccc3n1)C2 ZINC001235401951 1040915753 /nfs/dbraw/zinc/91/57/53/1040915753.db2.gz IGHMZNXKNZWKAJ-MSOLQXFVSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3cc(Br)ccc3n1)C2 ZINC001235401951 1040915754 /nfs/dbraw/zinc/91/57/54/1040915754.db2.gz IGHMZNXKNZWKAJ-MSOLQXFVSA-N 2 1 378.289 3.521 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(Br)c1O ZINC001235423530 1040925311 /nfs/dbraw/zinc/92/53/11/1040925311.db2.gz GVZXNXPKELDOSZ-JKSUJKDBSA-N 2 1 397.357 3.765 20 0 GHADMP Ic1csc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235424335 1040927024 /nfs/dbraw/zinc/92/70/24/1040927024.db2.gz GYKMIXUYAILDFP-QWHCGFSZSA-N 2 1 390.334 3.564 20 0 GHADMP Cc1cc(OC(C)C)ncc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001235426253 1040927426 /nfs/dbraw/zinc/92/74/26/1040927426.db2.gz RBLGLSBLZYTBPM-IRLDBZIGSA-N 2 1 380.536 3.526 20 0 GHADMP Cc1cc(OC(C)C)ncc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001235426253 1040927429 /nfs/dbraw/zinc/92/74/29/1040927429.db2.gz RBLGLSBLZYTBPM-IRLDBZIGSA-N 2 1 380.536 3.526 20 0 GHADMP Cc1cc(OC(C)C)ncc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001235426253 1040927444 /nfs/dbraw/zinc/92/74/44/1040927444.db2.gz RBLGLSBLZYTBPM-IRLDBZIGSA-N 2 1 380.536 3.526 20 0 GHADMP Cc1cc(OC(C)C)ncc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001235426253 1040927445 /nfs/dbraw/zinc/92/74/45/1040927445.db2.gz RBLGLSBLZYTBPM-IRLDBZIGSA-N 2 1 380.536 3.526 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428145 1040930221 /nfs/dbraw/zinc/93/02/21/1040930221.db2.gz PACUPKKDSOSQMH-HOTGVXAUSA-N 2 1 398.332 3.811 20 0 GHADMP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429625 1040931565 /nfs/dbraw/zinc/93/15/65/1040931565.db2.gz BJQDOKGYKIZMLH-HZPDHXFCSA-N 2 1 381.358 3.978 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431129 1040932560 /nfs/dbraw/zinc/93/25/60/1040932560.db2.gz VBKAIGABGSZMKW-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432867 1040933249 /nfs/dbraw/zinc/93/32/49/1040933249.db2.gz WSVXBWSTTOGUIT-WBVHZDCISA-N 2 1 398.332 3.811 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433250 1040934735 /nfs/dbraw/zinc/93/47/35/1040934735.db2.gz YQKVZZHJYINWEK-ZIAGYGMSSA-N 2 1 382.430 3.673 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235433250 1040934746 /nfs/dbraw/zinc/93/47/46/1040934746.db2.gz YQKVZZHJYINWEK-ZIAGYGMSSA-N 2 1 382.430 3.673 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235433250 1040934748 /nfs/dbraw/zinc/93/47/48/1040934748.db2.gz YQKVZZHJYINWEK-ZIAGYGMSSA-N 2 1 382.430 3.673 20 0 GHADMP C[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)CC1CC[NH2+]CC1 ZINC001235433053 1040934805 /nfs/dbraw/zinc/93/48/05/1040934805.db2.gz FQGRMXDJNCFQFT-UHFFFAOYSA-N 2 1 381.236 3.779 20 0 GHADMP O=C(NC1CCCC1)N1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391459 1040979247 /nfs/dbraw/zinc/97/92/47/1040979247.db2.gz QKRSUGSPRFTTCG-QFIPXVFZSA-N 2 1 398.595 3.747 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CO2 ZINC001255392912 1040981145 /nfs/dbraw/zinc/98/11/45/1040981145.db2.gz MWMDGTBTTOFBAM-IRLDBZIGSA-N 2 1 380.532 3.891 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405374 1040992715 /nfs/dbraw/zinc/99/27/15/1040992715.db2.gz WLTGTCCLRHPQCW-RPWUZVMVSA-N 2 1 383.580 3.908 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255405374 1040992723 /nfs/dbraw/zinc/99/27/23/1040992723.db2.gz WLTGTCCLRHPQCW-RPWUZVMVSA-N 2 1 383.580 3.908 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255405374 1040992726 /nfs/dbraw/zinc/99/27/26/1040992726.db2.gz WLTGTCCLRHPQCW-RPWUZVMVSA-N 2 1 383.580 3.908 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409658 1040998112 /nfs/dbraw/zinc/99/81/12/1040998112.db2.gz KERIKFJWKOAZIE-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409658 1040998116 /nfs/dbraw/zinc/99/81/16/1040998116.db2.gz KERIKFJWKOAZIE-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409658 1040998124 /nfs/dbraw/zinc/99/81/24/1040998124.db2.gz KERIKFJWKOAZIE-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH+]4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409531 1040998347 /nfs/dbraw/zinc/99/83/47/1040998347.db2.gz ZTIDESJOJYQOFW-ILBGXUMGSA-N 2 1 375.560 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409531 1040998354 /nfs/dbraw/zinc/99/83/54/1040998354.db2.gz ZTIDESJOJYQOFW-ILBGXUMGSA-N 2 1 375.560 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](N3CC[N@H+]4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001255409531 1040998357 /nfs/dbraw/zinc/99/83/57/1040998357.db2.gz ZTIDESJOJYQOFW-ILBGXUMGSA-N 2 1 375.560 3.956 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409856 1040999392 /nfs/dbraw/zinc/99/93/92/1040999392.db2.gz LWFICUOTWKPENO-LEWJYISDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409856 1040999393 /nfs/dbraw/zinc/99/93/93/1040999393.db2.gz LWFICUOTWKPENO-LEWJYISDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409856 1040999394 /nfs/dbraw/zinc/99/93/94/1040999394.db2.gz LWFICUOTWKPENO-LEWJYISDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409856 1040999396 /nfs/dbraw/zinc/99/93/96/1040999396.db2.gz LWFICUOTWKPENO-LEWJYISDSA-N 2 1 381.520 3.598 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](CCC[NH2+]C4CCCCC4)C3)CC2=O)s1 ZINC001235612750 1041032542 /nfs/dbraw/zinc/03/25/42/1041032542.db2.gz SPWGBJRDMDEYRR-NRFANRHFSA-N 2 1 375.582 3.798 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@@H+](CCC[NH2+]C4CCCCC4)C3)CC2=O)s1 ZINC001235612750 1041032585 /nfs/dbraw/zinc/03/25/85/1041032585.db2.gz SPWGBJRDMDEYRR-NRFANRHFSA-N 2 1 375.582 3.798 20 0 GHADMP Fc1cccc(CN2CC[C@]23CCC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)c1 ZINC001235628862 1041060559 /nfs/dbraw/zinc/06/05/59/1041060559.db2.gz LZTQGECRCWGISG-DEOSSOPVSA-N 2 1 379.523 3.712 20 0 GHADMP Fc1cccc(CN2CC[C@]23CCC[N@@H+](Cc2cc4c(s2)C[NH2+]CC4)C3)c1 ZINC001235628874 1041061064 /nfs/dbraw/zinc/06/10/64/1041061064.db2.gz MBONMRNUYVXBAP-QFIPXVFZSA-N 2 1 385.552 3.773 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC001255517182 1041105976 /nfs/dbraw/zinc/10/59/76/1041105976.db2.gz XFZLDHPEAIMFCL-OOYAMKTBSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC001255517182 1041105987 /nfs/dbraw/zinc/10/59/87/1041105987.db2.gz XFZLDHPEAIMFCL-OOYAMKTBSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC001255517182 1041105995 /nfs/dbraw/zinc/10/59/95/1041105995.db2.gz XFZLDHPEAIMFCL-OOYAMKTBSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC001255517182 1041106007 /nfs/dbraw/zinc/10/60/07/1041106007.db2.gz XFZLDHPEAIMFCL-OOYAMKTBSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC(C(F)(F)F)CC3)CC[C@@H]21 ZINC001255517182 1041106012 /nfs/dbraw/zinc/10/60/12/1041106012.db2.gz XFZLDHPEAIMFCL-OOYAMKTBSA-N 2 1 399.505 3.572 20 0 GHADMP FC(F)(F)c1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001235688609 1041157684 /nfs/dbraw/zinc/15/76/84/1041157684.db2.gz RZKZAZGFYFPZNF-LJQANCHMSA-N 2 1 379.426 3.654 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1Cl ZINC001235700852 1041180216 /nfs/dbraw/zinc/18/02/16/1041180216.db2.gz YRAQQQZQFOXSFJ-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)CC(F)(F)F)CC2 ZINC001255654251 1041194320 /nfs/dbraw/zinc/19/43/20/1041194320.db2.gz ZVSAUMWCUWAHDL-HUUCEWRRSA-N 2 1 391.503 3.787 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Cl)nc3NC(=O)OC(C)(C)C)C2)CC1 ZINC001235719889 1041203906 /nfs/dbraw/zinc/20/39/06/1041203906.db2.gz IRKMYAWZCJNTFK-UHFFFAOYSA-N 2 1 394.947 4.000 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Cl)nc3NC(=O)OC(C)(C)C)C2)CC1 ZINC001235719889 1041203920 /nfs/dbraw/zinc/20/39/20/1041203920.db2.gz IRKMYAWZCJNTFK-UHFFFAOYSA-N 2 1 394.947 4.000 20 0 GHADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001255677601 1041208763 /nfs/dbraw/zinc/20/87/63/1041208763.db2.gz WTYPGBUEOCFZCV-FBVQUNGASA-N 2 1 395.341 3.658 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC001255704953 1041226116 /nfs/dbraw/zinc/22/61/16/1041226116.db2.gz HYNVXFNARZPSAF-FUHWJXTLSA-N 2 1 390.490 3.847 20 0 GHADMP C[C@@H](CS(=O)(=O)c1ccccc1)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255809010 1041315108 /nfs/dbraw/zinc/31/51/08/1041315108.db2.gz XGRTUTOIYWRQAC-BJLQDIEVSA-N 2 1 378.582 3.753 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255904056 1041385890 /nfs/dbraw/zinc/38/58/90/1041385890.db2.gz QWQGVCITDOHFLY-VAMGGRTRSA-N 2 1 388.556 3.553 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255916188 1041400067 /nfs/dbraw/zinc/40/00/67/1041400067.db2.gz SSZLFLQMSCUMHH-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255916188 1041400073 /nfs/dbraw/zinc/40/00/73/1041400073.db2.gz SSZLFLQMSCUMHH-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255916188 1041400082 /nfs/dbraw/zinc/40/00/82/1041400082.db2.gz SSZLFLQMSCUMHH-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255916188 1041400088 /nfs/dbraw/zinc/40/00/88/1041400088.db2.gz SSZLFLQMSCUMHH-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001255917399 1041401694 /nfs/dbraw/zinc/40/16/94/1041401694.db2.gz JCUJYLDRCSZWQU-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001255917399 1041401709 /nfs/dbraw/zinc/40/17/09/1041401709.db2.gz JCUJYLDRCSZWQU-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001255917399 1041401714 /nfs/dbraw/zinc/40/17/14/1041401714.db2.gz JCUJYLDRCSZWQU-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001255917399 1041401725 /nfs/dbraw/zinc/40/17/25/1041401725.db2.gz JCUJYLDRCSZWQU-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001235871572 1041404072 /nfs/dbraw/zinc/40/40/72/1041404072.db2.gz DAVUPGASLWTLSN-UHFFFAOYSA-N 2 1 381.520 3.602 20 0 GHADMP CCOc1ccc(Br)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC001235889526 1041414823 /nfs/dbraw/zinc/41/48/23/1041414823.db2.gz ZPBPVNXWZZAUEL-MRXNPFEDSA-N 2 1 385.321 3.951 20 0 GHADMP [NH3+]CCC1C[NH+](Cc2ccc(OCc3ccccc3)c(Br)c2)C1 ZINC001235919050 1041429547 /nfs/dbraw/zinc/42/95/47/1041429547.db2.gz QCRZXZMBRBUTAZ-UHFFFAOYSA-N 2 1 375.310 3.809 20 0 GHADMP Cc1ccc(-c2noc(C3CC[NH+](C[C@H]4[C@H](C)C[NH2+]CC4(F)F)CC3)n2)cc1 ZINC001235934815 1041437545 /nfs/dbraw/zinc/43/75/45/1041437545.db2.gz NWIKGFKBXOCQSZ-QAPCUYQASA-N 2 1 390.478 3.715 20 0 GHADMP COCC[N@@H+](Cc1ccc(N(C)c2ccc(OC)cc2)cc1)C1CC[NH2+]CC1 ZINC001235946645 1041451286 /nfs/dbraw/zinc/45/12/86/1041451286.db2.gz NXNYMFUJBKXQEW-UHFFFAOYSA-N 2 1 383.536 3.664 20 0 GHADMP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001235949600 1041452880 /nfs/dbraw/zinc/45/28/80/1041452880.db2.gz DAIMTQWFFKDZKA-OAQYLSRUSA-N 3 1 388.559 3.698 20 0 GHADMP C[NH+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235949600 1041452888 /nfs/dbraw/zinc/45/28/88/1041452888.db2.gz DAIMTQWFFKDZKA-OAQYLSRUSA-N 3 1 388.559 3.698 20 0 GHADMP C[NH+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235949600 1041452892 /nfs/dbraw/zinc/45/28/92/1041452892.db2.gz DAIMTQWFFKDZKA-OAQYLSRUSA-N 3 1 388.559 3.698 20 0 GHADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001235949600 1041452896 /nfs/dbraw/zinc/45/28/96/1041452896.db2.gz DAIMTQWFFKDZKA-OAQYLSRUSA-N 2 1 388.559 3.698 20 0 GHADMP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001235949600 1041452912 /nfs/dbraw/zinc/45/29/12/1041452912.db2.gz DAIMTQWFFKDZKA-OAQYLSRUSA-N 2 1 388.559 3.698 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235949600 1041452916 /nfs/dbraw/zinc/45/29/16/1041452916.db2.gz DAIMTQWFFKDZKA-OAQYLSRUSA-N 2 1 388.559 3.698 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235949600 1041452921 /nfs/dbraw/zinc/45/29/21/1041452921.db2.gz DAIMTQWFFKDZKA-OAQYLSRUSA-N 2 1 388.559 3.698 20 0 GHADMP CCOC(=O)CCC(CCC(=O)OCC)[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255998713 1041468300 /nfs/dbraw/zinc/46/83/00/1041468300.db2.gz DNBWLDQOAREOGA-IYARVYRRSA-N 2 1 398.588 3.660 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)c21 ZINC001235971990 1041477457 /nfs/dbraw/zinc/47/74/57/1041477457.db2.gz FAGAPKKBSSJMJH-UHFFFAOYSA-N 2 1 389.499 3.592 20 0 GHADMP c1ccc2c(c1)C[N@H+](Cc1ccc(N3CCCCC3)nc1)CC21CC[NH2+]CC1 ZINC001235975605 1041479472 /nfs/dbraw/zinc/47/94/72/1041479472.db2.gz YQCUJWLGOWBXKT-UHFFFAOYSA-N 2 1 376.548 3.709 20 0 GHADMP COc1ccc(-c2cc(C[N@@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)no2)cc1 ZINC001235975200 1041479490 /nfs/dbraw/zinc/47/94/90/1041479490.db2.gz QTGYPDYWVMQSKL-UHFFFAOYSA-N 2 1 389.499 3.987 20 0 GHADMP COc1ccc(-c2cc(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)no2)cc1 ZINC001235975200 1041479493 /nfs/dbraw/zinc/47/94/93/1041479493.db2.gz QTGYPDYWVMQSKL-UHFFFAOYSA-N 2 1 389.499 3.987 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235976033 1041481852 /nfs/dbraw/zinc/48/18/52/1041481852.db2.gz ZFIYOQIJSACFEL-GOSISDBHSA-N 2 1 378.516 3.731 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010577 1041503171 /nfs/dbraw/zinc/50/31/71/1041503171.db2.gz MWAOEQNAYRSVGR-NOZRDPDXSA-N 2 1 385.511 3.730 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010577 1041503185 /nfs/dbraw/zinc/50/31/85/1041503185.db2.gz MWAOEQNAYRSVGR-NOZRDPDXSA-N 2 1 385.511 3.730 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001236043624 1041513444 /nfs/dbraw/zinc/51/34/44/1041513444.db2.gz ZDKDDTHVEJPDNS-PZJWPPBQSA-N 3 1 391.550 3.855 20 0 GHADMP c1ccc2c(c1)C[NH2+][C@H](CN1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001236092082 1041529287 /nfs/dbraw/zinc/52/92/87/1041529287.db2.gz GDYHKYXYFVHDNH-HNRDJRCMSA-N 2 1 377.576 3.596 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001236146291 1041569274 /nfs/dbraw/zinc/56/92/74/1041569274.db2.gz XZGXORJFSJZKCR-PKTZIBPZSA-N 2 1 381.564 3.552 20 0 GHADMP C[C@H](c1ccccc1)[N@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)[C@@H]1CN2CCC1CC2 ZINC001236159738 1041582289 /nfs/dbraw/zinc/58/22/89/1041582289.db2.gz XNRNOYBGQQAWBI-DEPWHIHDSA-N 2 1 377.523 3.635 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@@H]1[C@H](C)C[NH2+]CC1(F)F)[C@@H]1CN2CCC1CC2 ZINC001236159738 1041582335 /nfs/dbraw/zinc/58/23/35/1041582335.db2.gz XNRNOYBGQQAWBI-DEPWHIHDSA-N 2 1 377.523 3.635 20 0 GHADMP CCC[N@@H+](Cc1ccc(OC(=O)c2cccs2)c(OC)c1)C1CC[NH2+]CC1 ZINC001236182507 1041601343 /nfs/dbraw/zinc/60/13/43/1041601343.db2.gz PUWFARNIQLXWLD-UHFFFAOYSA-N 2 1 388.533 3.940 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236226614 1041632795 /nfs/dbraw/zinc/63/27/95/1041632795.db2.gz QBASMZYHWLFUIU-UHFFFAOYSA-N 2 1 382.504 3.626 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)C2(C)CC[NH2+]CC2)cc1 ZINC001236226614 1041632802 /nfs/dbraw/zinc/63/28/02/1041632802.db2.gz QBASMZYHWLFUIU-UHFFFAOYSA-N 2 1 382.504 3.626 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236236416 1041637370 /nfs/dbraw/zinc/63/73/70/1041637370.db2.gz KCJCPZWEUSEBGI-OLMNPRSZSA-N 2 1 376.566 3.869 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC001236294345 1041661903 /nfs/dbraw/zinc/66/19/03/1041661903.db2.gz PPDVOFYKHPKNFD-LEWJYISDSA-N 2 1 376.516 3.749 20 0 GHADMP Brc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236315558 1041668691 /nfs/dbraw/zinc/66/86/91/1041668691.db2.gz LEGMCKQGAYFUSR-BETUJISGSA-N 2 1 388.147 3.643 20 0 GHADMP FC(F)(F)Oc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320190 1041670043 /nfs/dbraw/zinc/67/00/43/1041670043.db2.gz LHVYRQQLSGAIMV-TXEJJXNPSA-N 2 1 393.247 3.779 20 0 GHADMP Brc1cccc(-c2ccccc2C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236320963 1041670073 /nfs/dbraw/zinc/67/00/73/1041670073.db2.gz UQTQEZMNYCXHSM-IYBDPMFKSA-N 2 1 386.337 3.943 20 0 GHADMP Fc1ccccc1CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001236367985 1041684233 /nfs/dbraw/zinc/68/42/33/1041684233.db2.gz RFOHXDMYMZMEHT-OAQYLSRUSA-N 2 1 381.539 3.902 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccc(Br)[nH]2)CC2CC[NH2+]CC2)cc1 ZINC001236384837 1041692226 /nfs/dbraw/zinc/69/22/26/1041692226.db2.gz GBEANEHTWFLMFH-UHFFFAOYSA-N 2 1 380.305 3.918 20 0 GHADMP Cn1c(=O)cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c2ccccc21 ZINC001236384000 1041692467 /nfs/dbraw/zinc/69/24/67/1041692467.db2.gz XPNBLYNGIIYKLC-UHFFFAOYSA-N 2 1 393.506 3.679 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OC(C)C)c(Br)c1)C1CC[NH2+]CC1 ZINC001236461046 1041723803 /nfs/dbraw/zinc/72/38/03/1041723803.db2.gz KBIMGFFOIUOMCX-UHFFFAOYSA-N 2 1 399.373 3.827 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OC(C)C)c(Br)c1)C1CC[NH2+]CC1 ZINC001236461046 1041723809 /nfs/dbraw/zinc/72/38/09/1041723809.db2.gz KBIMGFFOIUOMCX-UHFFFAOYSA-N 2 1 399.373 3.827 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCCc2cccc(OC)c2)C2CC[NH2+]CC2)c1 ZINC001236464792 1041726454 /nfs/dbraw/zinc/72/64/54/1041726454.db2.gz KLAMFYKKEHZNIJ-UHFFFAOYSA-N 2 1 396.531 3.669 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256463405 1041743921 /nfs/dbraw/zinc/74/39/21/1041743921.db2.gz PFZLKGXJBAOAMR-QFBILLFUSA-N 2 1 391.531 3.864 20 0 GHADMP COc1ccc2n[nH]c(C[N@@H+](Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236536170 1041755673 /nfs/dbraw/zinc/75/56/73/1041755673.db2.gz BUNSJOYLUQYHSB-QAQDUYKDSA-N 2 1 382.483 3.983 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552368 1041759645 /nfs/dbraw/zinc/75/96/45/1041759645.db2.gz KCTHHWVNUFXXAH-QAQDUYKDSA-N 2 1 395.341 3.718 20 0 GHADMP COc1ccc(C[N@@H+](Cc2[nH]nc3cc(OC)ccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236552702 1041759847 /nfs/dbraw/zinc/75/98/47/1041759847.db2.gz HORRHOMYYGJUMO-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc(C[N@H+](Cc2n[nH]c3cc(OC)ccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236552702 1041759854 /nfs/dbraw/zinc/75/98/54/1041759854.db2.gz HORRHOMYYGJUMO-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc(C[N@@H+](Cc2n[nH]c3cc(OC)ccc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236552702 1041759858 /nfs/dbraw/zinc/75/98/58/1041759858.db2.gz HORRHOMYYGJUMO-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP CCOC(=O)c1cn2cccc(C[N@@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c2n1 ZINC001236565614 1041764916 /nfs/dbraw/zinc/76/49/16/1041764916.db2.gz IXDUSSYTZTXLAW-KESTWPANSA-N 2 1 398.551 3.916 20 0 GHADMP Cc1ccc(C[NH+]2CCC(N3CCC([NH3+])CC3)CC2)c(OCc2ccccc2)c1 ZINC001236581994 1041767375 /nfs/dbraw/zinc/76/73/75/1041767375.db2.gz CNLVBNWUFQODEJ-UHFFFAOYSA-N 2 1 393.575 3.962 20 0 GHADMP COc1cc(OC)c(C[N@H+](C2CCC2)C2CC[NH2+]CC2)cc1Br ZINC001236632861 1041795240 /nfs/dbraw/zinc/79/52/40/1041795240.db2.gz BLZIDPQBDHRKDK-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP COc1cc(OC)c(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1Br ZINC001236632861 1041795246 /nfs/dbraw/zinc/79/52/46/1041795246.db2.gz BLZIDPQBDHRKDK-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP Cc1nc(CN2CCO[C@@H]3C[N@@H+](Cc4cccc5occc54)CC[C@@H]3C2)cs1 ZINC001236742461 1041868847 /nfs/dbraw/zinc/86/88/47/1041868847.db2.gz DLHCDEUUHQBIBY-XMSQKQJNSA-N 2 1 397.544 3.921 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001236743365 1041869540 /nfs/dbraw/zinc/86/95/40/1041869540.db2.gz ZJTCSPFCBHCELU-ACRUOGEOSA-N 2 1 376.516 3.973 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2ccccc2N2CCOCC2)CC1 ZINC001236743034 1041869664 /nfs/dbraw/zinc/86/96/64/1041869664.db2.gz VWDOQSAPZIHEDY-YHBQERECSA-N 2 1 397.538 3.934 20 0 GHADMP CCC[N@H+](Cc1ccc(OC(=O)c2cccs2)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236835380 1041922835 /nfs/dbraw/zinc/92/28/35/1041922835.db2.gz MMBBJOQMTWMUNF-QGZVFWFLSA-N 2 1 388.533 3.797 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001236973309 1041973407 /nfs/dbraw/zinc/97/34/07/1041973407.db2.gz ADEVBORVJAERHC-KDURUIRLSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001236973309 1041973411 /nfs/dbraw/zinc/97/34/11/1041973411.db2.gz ADEVBORVJAERHC-KDURUIRLSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001236973309 1041973413 /nfs/dbraw/zinc/97/34/13/1041973413.db2.gz ADEVBORVJAERHC-KDURUIRLSA-N 2 1 385.552 3.758 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001236973309 1041973420 /nfs/dbraw/zinc/97/34/20/1041973420.db2.gz ADEVBORVJAERHC-KDURUIRLSA-N 2 1 385.552 3.758 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001237092155 1042031651 /nfs/dbraw/zinc/03/16/51/1042031651.db2.gz JMELUYSHBJQTFL-QGZVFWFLSA-N 2 1 384.337 3.525 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(C5CCC5)cc4)C3)O2)CC1 ZINC001237104966 1042038635 /nfs/dbraw/zinc/03/86/35/1042038635.db2.gz JUQNSPHWSSIMAB-JWQCQUIFSA-N 2 1 397.607 3.715 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc(C5CCC5)cc4)C3)O2)CC1 ZINC001237104966 1042038642 /nfs/dbraw/zinc/03/86/42/1042038642.db2.gz JUQNSPHWSSIMAB-JWQCQUIFSA-N 2 1 397.607 3.715 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc(C5CCC5)cc4)C3)O2)CC1 ZINC001237104966 1042038649 /nfs/dbraw/zinc/03/86/49/1042038649.db2.gz JUQNSPHWSSIMAB-JWQCQUIFSA-N 2 1 397.607 3.715 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001237152723 1042066731 /nfs/dbraw/zinc/06/67/31/1042066731.db2.gz ACFVPJGIWZYLQI-JKSUJKDBSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001237152723 1042066736 /nfs/dbraw/zinc/06/67/36/1042066736.db2.gz ACFVPJGIWZYLQI-JKSUJKDBSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001237152723 1042066741 /nfs/dbraw/zinc/06/67/41/1042066741.db2.gz ACFVPJGIWZYLQI-JKSUJKDBSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001237152723 1042066746 /nfs/dbraw/zinc/06/67/46/1042066746.db2.gz ACFVPJGIWZYLQI-JKSUJKDBSA-N 2 1 377.941 3.846 20 0 GHADMP c1c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264603 1042113212 /nfs/dbraw/zinc/11/32/12/1042113212.db2.gz JTOJEGLDJYCVCZ-SFTDATJTSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264603 1042113216 /nfs/dbraw/zinc/11/32/16/1042113216.db2.gz JTOJEGLDJYCVCZ-SFTDATJTSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264603 1042113221 /nfs/dbraw/zinc/11/32/21/1042113221.db2.gz JTOJEGLDJYCVCZ-SFTDATJTSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264588 1042113295 /nfs/dbraw/zinc/11/32/95/1042113295.db2.gz JTOJEGLDJYCVCZ-LEWJYISDSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264588 1042113299 /nfs/dbraw/zinc/11/32/99/1042113299.db2.gz JTOJEGLDJYCVCZ-LEWJYISDSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264588 1042113301 /nfs/dbraw/zinc/11/33/01/1042113301.db2.gz JTOJEGLDJYCVCZ-LEWJYISDSA-N 3 1 381.589 3.738 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001237274310 1042118455 /nfs/dbraw/zinc/11/84/55/1042118455.db2.gz AFPVWETUVYEEPL-SFHVURJKSA-N 2 1 378.516 3.731 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1ccc(Br)c(Br)c1)CC2 ZINC001237356418 1042166676 /nfs/dbraw/zinc/16/66/76/1042166676.db2.gz KAMSQLYFBKBBDR-CQSZACIVSA-N 2 1 388.147 3.915 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1cc(Br)cc(Br)c1)CC2 ZINC001237356099 1042166709 /nfs/dbraw/zinc/16/67/09/1042166709.db2.gz GRSPGEWCMWCZAF-AWEZNQCLSA-N 2 1 388.147 3.915 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001278087846 1042168246 /nfs/dbraw/zinc/16/82/46/1042168246.db2.gz STDOSUOSLVSMHJ-PABYOWBDSA-N 2 1 389.559 3.709 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001278087846 1042168248 /nfs/dbraw/zinc/16/82/48/1042168248.db2.gz STDOSUOSLVSMHJ-PABYOWBDSA-N 2 1 389.559 3.709 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001278087846 1042168250 /nfs/dbraw/zinc/16/82/50/1042168250.db2.gz STDOSUOSLVSMHJ-PABYOWBDSA-N 2 1 389.559 3.709 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393587 1042187293 /nfs/dbraw/zinc/18/72/93/1042187293.db2.gz CYPSXIFYILONMC-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393587 1042187297 /nfs/dbraw/zinc/18/72/97/1042187297.db2.gz CYPSXIFYILONMC-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393587 1042187299 /nfs/dbraw/zinc/18/72/99/1042187299.db2.gz CYPSXIFYILONMC-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2-c2ccccc2Cl)CCC12C[NH2+]C2 ZINC001237429762 1042204731 /nfs/dbraw/zinc/20/47/31/1042204731.db2.gz JKZKKTVXQCBYPX-FQEVSTJZSA-N 2 1 398.934 3.982 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CCC12C[NH2+]C2 ZINC001237431601 1042205220 /nfs/dbraw/zinc/20/52/20/1042205220.db2.gz SNQWBGXDVYHIMA-FQEVSTJZSA-N 2 1 398.478 3.593 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCC12C[NH2+]C2 ZINC001237430542 1042205812 /nfs/dbraw/zinc/20/58/12/1042205812.db2.gz KZFXZLKGUTUWCA-NRFANRHFSA-N 2 1 398.478 3.593 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001237661724 1042309983 /nfs/dbraw/zinc/30/99/83/1042309983.db2.gz IBVPSSMMGZCYIU-XZOQPEGZSA-N 2 1 385.502 3.842 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001237697226 1042330084 /nfs/dbraw/zinc/33/00/84/1042330084.db2.gz ZYEAYNNTEVEQRS-HMXCVIKNSA-N 2 1 383.561 3.580 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001237697226 1042330089 /nfs/dbraw/zinc/33/00/89/1042330089.db2.gz ZYEAYNNTEVEQRS-HMXCVIKNSA-N 2 1 383.561 3.580 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001237697226 1042330095 /nfs/dbraw/zinc/33/00/95/1042330095.db2.gz ZYEAYNNTEVEQRS-HMXCVIKNSA-N 2 1 383.561 3.580 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]21 ZINC001237697226 1042330096 /nfs/dbraw/zinc/33/00/96/1042330096.db2.gz ZYEAYNNTEVEQRS-HMXCVIKNSA-N 2 1 383.561 3.580 20 0 GHADMP COc1ccc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001237709424 1042336150 /nfs/dbraw/zinc/33/61/50/1042336150.db2.gz XUKZMJVDAQKVJM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5c4OCC5)CC3)C2)c1 ZINC001237741713 1042348353 /nfs/dbraw/zinc/34/83/53/1042348353.db2.gz GTYIJRGULJOVSO-UHFFFAOYSA-N 2 1 384.545 3.550 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)nc1 ZINC001237878998 1042406958 /nfs/dbraw/zinc/40/69/58/1042406958.db2.gz IKUSXIAULMXLEW-HXUWFJFHSA-N 2 1 379.504 3.745 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)cc21 ZINC001237882696 1042408626 /nfs/dbraw/zinc/40/86/26/1042408626.db2.gz SWNFRUROVSEMNT-URXFXBBRSA-N 2 1 382.548 3.848 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccsc1C)CC2 ZINC001237966148 1042439367 /nfs/dbraw/zinc/43/93/67/1042439367.db2.gz HKLMDLLRPIFOMY-OAQYLSRUSA-N 2 1 385.577 3.955 20 0 GHADMP CCOC[C@@H]1CN(Cc2cccc3cncn32)Cc2cn(CC3CCCC3)nc21 ZINC001238105753 1042493687 /nfs/dbraw/zinc/49/36/87/1042493687.db2.gz UJUIWPSQYTVFMP-FQEVSTJZSA-N 2 1 393.535 3.857 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)ccnc1Cl)CC2 ZINC001238230048 1042526176 /nfs/dbraw/zinc/52/61/76/1042526176.db2.gz UBDMEOGTEQLUAD-HNNXBMFYSA-N 2 1 393.890 3.723 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(Cl)cc3Cl)C[C@H]2CC1 ZINC001278215457 1042550398 /nfs/dbraw/zinc/55/03/98/1042550398.db2.gz AOKGHKUPUXOHLW-HDICACEKSA-N 2 1 384.395 3.741 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@H]2CC1 ZINC001278215457 1042550401 /nfs/dbraw/zinc/55/04/01/1042550401.db2.gz AOKGHKUPUXOHLW-HDICACEKSA-N 2 1 384.395 3.741 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCc3ccc(Cl)cc3Cl)C[C@H]2CC1 ZINC001278215457 1042550404 /nfs/dbraw/zinc/55/04/04/1042550404.db2.gz AOKGHKUPUXOHLW-HDICACEKSA-N 2 1 384.395 3.741 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCc3ccc(Cl)cc3Cl)C[C@H]2CC1 ZINC001278215457 1042550409 /nfs/dbraw/zinc/55/04/09/1042550409.db2.gz AOKGHKUPUXOHLW-HDICACEKSA-N 2 1 384.395 3.741 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCc3ccc(Cl)cc3Cl)C[C@H]2CC1 ZINC001278215457 1042550410 /nfs/dbraw/zinc/55/04/10/1042550410.db2.gz AOKGHKUPUXOHLW-HDICACEKSA-N 2 1 384.395 3.741 20 0 GHADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)NC1CCCCCC1 ZINC001239218421 1042788460 /nfs/dbraw/zinc/78/84/60/1042788460.db2.gz YDJCWXBXPKITOB-NRFANRHFSA-N 2 1 398.595 3.510 20 0 GHADMP Cc1ccc(OC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001239317644 1042808169 /nfs/dbraw/zinc/80/81/69/1042808169.db2.gz GFKARBWGVZMPML-OAQYLSRUSA-N 2 1 393.531 3.585 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(CN3CC[NH+](C)CC3)c2)nc1 ZINC001240287346 1042918593 /nfs/dbraw/zinc/91/85/93/1042918593.db2.gz FYUZTKKXTXQRRI-HXUWFJFHSA-N 2 1 378.564 3.870 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(C[NH+]3CCN(C)CC3)c2)nc1 ZINC001240287346 1042918594 /nfs/dbraw/zinc/91/85/94/1042918594.db2.gz FYUZTKKXTXQRRI-HXUWFJFHSA-N 2 1 378.564 3.870 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(C[NH+]3CCN(C)CC3)c2)nc1 ZINC001240287346 1042918598 /nfs/dbraw/zinc/91/85/98/1042918598.db2.gz FYUZTKKXTXQRRI-HXUWFJFHSA-N 2 1 378.564 3.870 20 0 GHADMP [NH3+]C1CCN(C(=O)c2ccc(C3=CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001240388424 1042925175 /nfs/dbraw/zinc/92/51/75/1042925175.db2.gz CTAOTCJUPBEXAJ-UHFFFAOYSA-N 2 1 375.516 3.539 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(-c4cncc(C[NH+]5CCCC5)c4)cc3)CC2)CC1 ZINC001240590570 1042945163 /nfs/dbraw/zinc/94/51/63/1042945163.db2.gz QFMYTUBHFQJYKH-UHFFFAOYSA-N 2 1 376.548 3.581 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@@H]3C2)cc1 ZINC000656539835 1043218032 /nfs/dbraw/zinc/21/80/32/1043218032.db2.gz WOYAAVGWARRWBB-ZTCOLXNVSA-N 3 1 376.548 3.551 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+](CC)C(C)C ZINC001291563193 1043345789 /nfs/dbraw/zinc/34/57/89/1043345789.db2.gz PWGCDGRCEIVWBX-IBGZPJMESA-N 2 1 392.636 3.833 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+](CC)C(C)C ZINC001291563193 1043345799 /nfs/dbraw/zinc/34/57/99/1043345799.db2.gz PWGCDGRCEIVWBX-IBGZPJMESA-N 2 1 392.636 3.833 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+](CC)C(C)C ZINC001291563193 1043345813 /nfs/dbraw/zinc/34/58/13/1043345813.db2.gz PWGCDGRCEIVWBX-IBGZPJMESA-N 2 1 392.636 3.833 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530608 1043460260 /nfs/dbraw/zinc/46/02/60/1043460260.db2.gz CUFCCOLOUDPOCJ-QPPBQGQZSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530608 1043460272 /nfs/dbraw/zinc/46/02/72/1043460272.db2.gz CUFCCOLOUDPOCJ-QPPBQGQZSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)NC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530279 1043460787 /nfs/dbraw/zinc/46/07/87/1043460787.db2.gz BBQUHTXYXHKMBY-AUSIDOKSSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)NC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530279 1043460796 /nfs/dbraw/zinc/46/07/96/1043460796.db2.gz BBQUHTXYXHKMBY-AUSIDOKSSA-N 2 1 398.595 3.746 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC001256530243 1043461469 /nfs/dbraw/zinc/46/14/69/1043461469.db2.gz AOKNNYRQEPNGRJ-GHTZIAJQSA-N 2 1 377.536 3.995 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)cn21 ZINC001256530243 1043461481 /nfs/dbraw/zinc/46/14/81/1043461481.db2.gz AOKNNYRQEPNGRJ-GHTZIAJQSA-N 2 1 377.536 3.995 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256533935 1043469650 /nfs/dbraw/zinc/46/96/50/1043469650.db2.gz OZCOTRDXFRYWDI-RDPSFJRHSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256533935 1043469665 /nfs/dbraw/zinc/46/96/65/1043469665.db2.gz OZCOTRDXFRYWDI-RDPSFJRHSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534763 1043473542 /nfs/dbraw/zinc/47/35/42/1043473542.db2.gz UVYBUGJZSKJVKX-XXBNENTESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256534763 1043473569 /nfs/dbraw/zinc/47/35/69/1043473569.db2.gz UVYBUGJZSKJVKX-XXBNENTESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256536118 1043479250 /nfs/dbraw/zinc/47/92/50/1043479250.db2.gz FJHAYQPYGDJMOX-GBXCKJPGSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256536118 1043479279 /nfs/dbraw/zinc/47/92/79/1043479279.db2.gz FJHAYQPYGDJMOX-GBXCKJPGSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCc3ncnc(C4CC4)c3CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256545808 1043503165 /nfs/dbraw/zinc/50/31/65/1043503165.db2.gz HYGGWWJAESQKSC-WIYYLYMNSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCc3ncnc(C4CC4)c3CC2)CC[N@H+]1Cc1ccccc1 ZINC001256545808 1043503182 /nfs/dbraw/zinc/50/31/82/1043503182.db2.gz HYGGWWJAESQKSC-WIYYLYMNSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CCc3ncnc(C4CC4)c3CC2)CC[NH+]1Cc1ccccc1 ZINC001256545808 1043503191 /nfs/dbraw/zinc/50/31/91/1043503191.db2.gz HYGGWWJAESQKSC-WIYYLYMNSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CCc3ncnc(C4CC4)c3CC2)CC[NH+]1Cc1ccccc1 ZINC001256545808 1043503213 /nfs/dbraw/zinc/50/32/13/1043503213.db2.gz HYGGWWJAESQKSC-WIYYLYMNSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@H]1C[C@@H](n2nc(COCC3CC3)c3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256545275 1043503439 /nfs/dbraw/zinc/50/34/39/1043503439.db2.gz RSRVAVUDCZHLRL-PXNSSMCTSA-N 2 1 380.536 3.639 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256550488 1043514385 /nfs/dbraw/zinc/51/43/85/1043514385.db2.gz MRPCLQLEHCUJJB-PUHATCMVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256550488 1043514392 /nfs/dbraw/zinc/51/43/92/1043514392.db2.gz MRPCLQLEHCUJJB-PUHATCMVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550488 1043514399 /nfs/dbraw/zinc/51/43/99/1043514399.db2.gz MRPCLQLEHCUJJB-PUHATCMVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550488 1043514409 /nfs/dbraw/zinc/51/44/09/1043514409.db2.gz MRPCLQLEHCUJJB-PUHATCMVSA-N 2 1 383.580 3.764 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256551836 1043516128 /nfs/dbraw/zinc/51/61/28/1043516128.db2.gz VVHAOFHJXQDHSZ-QPPBQGQZSA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256551836 1043516132 /nfs/dbraw/zinc/51/61/32/1043516132.db2.gz VVHAOFHJXQDHSZ-QPPBQGQZSA-N 2 1 393.575 3.866 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256553561 1043520652 /nfs/dbraw/zinc/52/06/52/1043520652.db2.gz GATSNEFGXQXQLP-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256553561 1043520656 /nfs/dbraw/zinc/52/06/56/1043520656.db2.gz GATSNEFGXQXQLP-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP COc1cc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001256553240 1043521471 /nfs/dbraw/zinc/52/14/71/1043521471.db2.gz FQVZINACVRRTAG-KAGYGMCKSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001256553240 1043521478 /nfs/dbraw/zinc/52/14/78/1043521478.db2.gz FQVZINACVRRTAG-KAGYGMCKSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001256553240 1043521487 /nfs/dbraw/zinc/52/14/87/1043521487.db2.gz FQVZINACVRRTAG-KAGYGMCKSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001256553240 1043521491 /nfs/dbraw/zinc/52/14/91/1043521491.db2.gz FQVZINACVRRTAG-KAGYGMCKSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556698 1043527813 /nfs/dbraw/zinc/52/78/13/1043527813.db2.gz IOCGHPYBVDXPIJ-BAGYTPMASA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556698 1043527822 /nfs/dbraw/zinc/52/78/22/1043527822.db2.gz IOCGHPYBVDXPIJ-BAGYTPMASA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556698 1043527827 /nfs/dbraw/zinc/52/78/27/1043527827.db2.gz IOCGHPYBVDXPIJ-BAGYTPMASA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256556698 1043527836 /nfs/dbraw/zinc/52/78/36/1043527836.db2.gz IOCGHPYBVDXPIJ-BAGYTPMASA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC001256558402 1043529925 /nfs/dbraw/zinc/52/99/25/1043529925.db2.gz RRQUAWYXHQXDHQ-XXBNENTESA-N 2 1 394.563 3.702 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256605709 1043569123 /nfs/dbraw/zinc/56/91/23/1043569123.db2.gz KYQHISMYBPSCMR-CTNGQTDRSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256605709 1043569132 /nfs/dbraw/zinc/56/91/32/1043569132.db2.gz KYQHISMYBPSCMR-CTNGQTDRSA-N 2 1 385.552 3.592 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4c(cccc4OC)C3)CC2)cc1 ZINC001256640365 1043588425 /nfs/dbraw/zinc/58/84/25/1043588425.db2.gz YBZKEAQLZMAZBT-JOCHJYFZSA-N 2 1 394.559 3.858 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256695911 1043626764 /nfs/dbraw/zinc/62/67/64/1043626764.db2.gz AIBFLEQPZOHJIB-IJDVVPKISA-N 2 1 394.600 3.711 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](C2CCN(c4cc[nH+]cc4)CC2)CC3)co1 ZINC001256858416 1043705858 /nfs/dbraw/zinc/70/58/58/1043705858.db2.gz GRFWNAJHUXSGLF-UHFFFAOYSA-N 3 1 380.536 3.632 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C[N@H+]2C1 ZINC001292377675 1043710680 /nfs/dbraw/zinc/71/06/80/1043710680.db2.gz GBNMDLFDYFWWDT-PTUXOGIPSA-N 2 1 383.580 3.799 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256900306 1043729099 /nfs/dbraw/zinc/72/90/99/1043729099.db2.gz LURBFVRSHMYKLJ-ZMLMIBLPSA-N 2 1 377.573 3.819 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256900306 1043729110 /nfs/dbraw/zinc/72/91/10/1043729110.db2.gz LURBFVRSHMYKLJ-ZMLMIBLPSA-N 2 1 377.573 3.819 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256900369 1043729841 /nfs/dbraw/zinc/72/98/41/1043729841.db2.gz MWRLIEFNEPDCSC-LNLFQRSKSA-N 2 1 383.552 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256900369 1043729856 /nfs/dbraw/zinc/72/98/56/1043729856.db2.gz MWRLIEFNEPDCSC-LNLFQRSKSA-N 2 1 383.552 3.578 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906776 1043733207 /nfs/dbraw/zinc/73/32/07/1043733207.db2.gz DGDPIXDPLGBTFK-CJTFFPMFSA-N 2 1 387.571 3.970 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CCC[NH+](C5CCCC5)C4)CC[N@H+]3C2)cc1 ZINC001256918535 1043747292 /nfs/dbraw/zinc/74/72/92/1043747292.db2.gz PSPKGLFCLOPRBT-CQOQZXRMSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CCC[N@@H+](C5CCCC5)C4)CC[NH+]3C2)cc1 ZINC001256918535 1043747302 /nfs/dbraw/zinc/74/73/02/1043747302.db2.gz PSPKGLFCLOPRBT-CQOQZXRMSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CCC[N@H+](C5CCCC5)C4)CC[NH+]3C2)cc1 ZINC001256918535 1043747310 /nfs/dbraw/zinc/74/73/10/1043747310.db2.gz PSPKGLFCLOPRBT-CQOQZXRMSA-N 2 1 383.580 3.539 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)CC1 ZINC001257221048 1043941695 /nfs/dbraw/zinc/94/16/95/1043941695.db2.gz ZUHOBCHKBNKBCB-QHCPKHFHSA-N 2 1 395.591 3.935 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001257480395 1044010538 /nfs/dbraw/zinc/01/05/38/1044010538.db2.gz WHWSGWIXZAIVLT-MOPGFXCFSA-N 2 1 376.589 3.896 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257789053 1044173269 /nfs/dbraw/zinc/17/32/69/1044173269.db2.gz CWEMGVBKSDALOU-KNKQGSTJSA-N 2 1 379.589 3.878 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1CCC3(COC3)CC1)CC2 ZINC001257907088 1044254581 /nfs/dbraw/zinc/25/45/81/1044254581.db2.gz JWRNQHFXZRMVCG-IBGZPJMESA-N 2 1 390.593 3.763 20 0 GHADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1COc2ccc(Cl)cc2C1 ZINC001257960034 1044277446 /nfs/dbraw/zinc/27/74/46/1044277446.db2.gz PUPGCJWOQDFMAZ-KCZVDYSFSA-N 2 1 386.923 3.523 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1COc2ccc(Cl)cc2C1 ZINC001257960034 1044277457 /nfs/dbraw/zinc/27/74/57/1044277457.db2.gz PUPGCJWOQDFMAZ-KCZVDYSFSA-N 2 1 386.923 3.523 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257961010 1044279393 /nfs/dbraw/zinc/27/93/93/1044279393.db2.gz NLRLOMDKBJCADC-MSOLQXFVSA-N 2 1 378.944 3.655 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CCN(c4ccccn4)CC3)CC2)cc1 ZINC001258135360 1044419011 /nfs/dbraw/zinc/41/90/11/1044419011.db2.gz CDAMJQSSXHUHMB-UHFFFAOYSA-N 2 1 378.564 3.595 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258136970 1044421764 /nfs/dbraw/zinc/42/17/64/1044421764.db2.gz ANPHUALYVASBRV-UHFFFAOYSA-N 2 1 380.532 3.589 20 0 GHADMP COc1cccc(C2([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CCOCC2)c1 ZINC001258137636 1044422172 /nfs/dbraw/zinc/42/21/72/1044422172.db2.gz KQRVPNCUCOWTLI-UHFFFAOYSA-N 2 1 394.559 3.998 20 0 GHADMP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC001258137986 1044424132 /nfs/dbraw/zinc/42/41/32/1044424132.db2.gz NXYIYWLILYIFRN-UHFFFAOYSA-N 2 1 377.454 3.940 20 0 GHADMP CC(C)(C)NC(=O)O[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140345 1044425719 /nfs/dbraw/zinc/42/57/19/1044425719.db2.gz VDSVKXCUHIXFIY-NHCUHLMSSA-N 2 1 387.568 3.729 20 0 GHADMP O=C1Nc2ccccc2C12CC[NH+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258143720 1044431374 /nfs/dbraw/zinc/43/13/74/1044431374.db2.gz PAVMGJQTUUFQTP-UHFFFAOYSA-N 2 1 389.543 3.679 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)CC2)cc1 ZINC001258146067 1044436004 /nfs/dbraw/zinc/43/60/04/1044436004.db2.gz QYQDLRVKZXQDGC-AHWVRZQESA-N 2 1 389.587 3.900 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)Cc1ccco1)CC2 ZINC001258188230 1044461155 /nfs/dbraw/zinc/46/11/55/1044461155.db2.gz ISQNRPWLWJLTMZ-MSOLQXFVSA-N 2 1 389.565 3.670 20 0 GHADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001258337431 1044511965 /nfs/dbraw/zinc/51/19/65/1044511965.db2.gz IZQWVNKRENWOSF-PBASOCQRSA-N 2 1 390.641 3.978 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001258337431 1044511977 /nfs/dbraw/zinc/51/19/77/1044511977.db2.gz IZQWVNKRENWOSF-PBASOCQRSA-N 2 1 390.641 3.978 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001258337431 1044511991 /nfs/dbraw/zinc/51/19/91/1044511991.db2.gz IZQWVNKRENWOSF-PBASOCQRSA-N 2 1 390.641 3.978 20 0 GHADMP CC1(C)COC2(CCC([NH+]3CCC([NH3+])(c4cccc(F)c4)CC3)CC2)OC1 ZINC001258521642 1044598612 /nfs/dbraw/zinc/59/86/12/1044598612.db2.gz YGJPFTAAZHMSGJ-UHFFFAOYSA-N 2 1 376.516 3.787 20 0 GHADMP CCCC[C@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001258709189 1044725194 /nfs/dbraw/zinc/72/51/94/1044725194.db2.gz GWSQNZTWBSFSHV-FGZHOGPDSA-N 2 1 396.579 3.939 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC001258823924 1044776717 /nfs/dbraw/zinc/77/67/17/1044776717.db2.gz ORHDJOMXXIQGFP-QUCCMNQESA-N 2 1 383.580 3.816 20 0 GHADMP COc1cc(C[C@H](C)N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001258876882 1044822245 /nfs/dbraw/zinc/82/22/45/1044822245.db2.gz QIZBWMAIYBJNMT-KRWDZBQOSA-N 2 1 399.535 3.605 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001295169112 1044936563 /nfs/dbraw/zinc/93/65/63/1044936563.db2.gz PNYQBELCEFXIBN-AGILITTLSA-N 2 1 399.623 3.969 20 0 GHADMP CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@@H](C)C1 ZINC001299018828 1045999743 /nfs/dbraw/zinc/99/97/43/1045999743.db2.gz UNIMSWXYJDLZMW-FQEVSTJZSA-N 2 1 379.548 3.875 20 0 GHADMP CC[NH+]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@@H](C)C1 ZINC001299018828 1045999746 /nfs/dbraw/zinc/99/97/46/1045999746.db2.gz UNIMSWXYJDLZMW-FQEVSTJZSA-N 2 1 379.548 3.875 20 0 GHADMP CC[NH+]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H](C)C1 ZINC001299018828 1045999754 /nfs/dbraw/zinc/99/97/54/1045999754.db2.gz UNIMSWXYJDLZMW-FQEVSTJZSA-N 2 1 379.548 3.875 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351946 1047655863 /nfs/dbraw/zinc/65/58/63/1047655863.db2.gz HVDRHRXGYSQJKO-MYSJAJEPSA-N 2 1 391.559 3.644 20 0 GHADMP O=c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2csc(Cl)c2)CC3)[nH]1 ZINC001279116767 1047724707 /nfs/dbraw/zinc/72/47/07/1047724707.db2.gz TUVYVWVJVWZUQY-UHFFFAOYSA-N 2 1 377.941 3.990 20 0 GHADMP Brc1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001279165150 1047734448 /nfs/dbraw/zinc/73/44/48/1047734448.db2.gz LSSKXSVNVYSKNF-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001279165150 1047734456 /nfs/dbraw/zinc/73/44/56/1047734456.db2.gz LSSKXSVNVYSKNF-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001279165150 1047734463 /nfs/dbraw/zinc/73/44/63/1047734463.db2.gz LSSKXSVNVYSKNF-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP CSc1nccc(C[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)n1 ZINC001279187104 1047739615 /nfs/dbraw/zinc/73/96/15/1047739615.db2.gz VLIVSTJHBCGSAZ-GASCZTMLSA-N 2 1 388.503 3.685 20 0 GHADMP CSc1nccc(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)n1 ZINC001279187104 1047739622 /nfs/dbraw/zinc/73/96/22/1047739622.db2.gz VLIVSTJHBCGSAZ-GASCZTMLSA-N 2 1 388.503 3.685 20 0 GHADMP CSc1nccc(C[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)n1 ZINC001279187104 1047739626 /nfs/dbraw/zinc/73/96/26/1047739626.db2.gz VLIVSTJHBCGSAZ-GASCZTMLSA-N 2 1 388.503 3.685 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(Cl)s3)C[C@H]2CC1 ZINC001279276888 1047754320 /nfs/dbraw/zinc/75/43/20/1047754320.db2.gz CNYVFAOQTQJMBF-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]2CC1 ZINC001279276888 1047754323 /nfs/dbraw/zinc/75/43/23/1047754323.db2.gz CNYVFAOQTQJMBF-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]2CC1 ZINC001279276888 1047754326 /nfs/dbraw/zinc/75/43/26/1047754326.db2.gz CNYVFAOQTQJMBF-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Brc1c[nH]c(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279286356 1047757623 /nfs/dbraw/zinc/75/76/23/1047757623.db2.gz QORWGDZGHITFJV-UHFFFAOYSA-N 2 1 391.357 3.984 20 0 GHADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2c(Cl)cncc2Cl)CC3)n(C)n1 ZINC001279390853 1047790605 /nfs/dbraw/zinc/79/06/05/1047790605.db2.gz OFQWIYWLVCEFEY-UHFFFAOYSA-N 2 1 394.350 3.528 20 0 GHADMP Cc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)ccc1Br ZINC001279393474 1047792064 /nfs/dbraw/zinc/79/20/64/1047792064.db2.gz VYKCDGLVBDQORM-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP Cc1csc2sc(C[NH+]3CCC4(C[NH+](CC(=O)N(C)C)C4)CC3)c(C)c12 ZINC001279425264 1047801516 /nfs/dbraw/zinc/80/15/16/1047801516.db2.gz DTMMWJHTTDLYMT-UHFFFAOYSA-N 2 1 391.606 3.566 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1cncc(Cl)n1)CC2 ZINC001279509749 1047829147 /nfs/dbraw/zinc/82/91/47/1047829147.db2.gz ZDAWKZRTLCHNJL-UHFFFAOYSA-N 2 1 376.854 3.760 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1cncc(Cl)n1)CC2 ZINC001279509749 1047829156 /nfs/dbraw/zinc/82/91/56/1047829156.db2.gz ZDAWKZRTLCHNJL-UHFFFAOYSA-N 2 1 376.854 3.760 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCCC2(CC[NH+](Cc3cncc(Cl)n3)CC2)C1 ZINC001279508896 1047829649 /nfs/dbraw/zinc/82/96/49/1047829649.db2.gz NIPOEXYDCVPRFS-UHFFFAOYSA-N 2 1 391.972 3.773 20 0 GHADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](Cc3cncc(Cl)n3)CC2)C1 ZINC001279508896 1047829656 /nfs/dbraw/zinc/82/96/56/1047829656.db2.gz NIPOEXYDCVPRFS-UHFFFAOYSA-N 2 1 391.972 3.773 20 0 GHADMP Cc1cnc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c(Br)c1 ZINC001279551111 1047838207 /nfs/dbraw/zinc/83/82/07/1047838207.db2.gz DAKLPFPQGXXKOE-UHFFFAOYSA-N 2 1 378.358 3.993 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CCCc1cccc(Cl)c1)CC2 ZINC001279632889 1047879684 /nfs/dbraw/zinc/87/96/84/1047879684.db2.gz SFFDTQSIRRYNCR-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](CCCc1cccc(Cl)c1)CC2 ZINC001279632889 1047879699 /nfs/dbraw/zinc/87/96/99/1047879699.db2.gz SFFDTQSIRRYNCR-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)nc1)CC2 ZINC001279650739 1047893001 /nfs/dbraw/zinc/89/30/01/1047893001.db2.gz XBZPNQJESJSQOX-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(C)c1Cl)CC2 ZINC001279656109 1047898255 /nfs/dbraw/zinc/89/82/55/1047898255.db2.gz BNFYYQZWRPNVFB-UHFFFAOYSA-N 2 1 384.923 3.696 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(C)c1Cl)CC2 ZINC001279656109 1047898268 /nfs/dbraw/zinc/89/82/68/1047898268.db2.gz BNFYYQZWRPNVFB-UHFFFAOYSA-N 2 1 384.923 3.696 20 0 GHADMP Cc1cccc(Br)c1C[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001280269487 1048153980 /nfs/dbraw/zinc/15/39/80/1048153980.db2.gz BWHXDSSWMXLNCB-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cccc(Br)c1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001280269487 1048153983 /nfs/dbraw/zinc/15/39/83/1048153983.db2.gz BWHXDSSWMXLNCB-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP CC(=O)NCC1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001307430453 1049267484 /nfs/dbraw/zinc/26/74/84/1049267484.db2.gz CNNVGMQDHSKUQC-VWLOTQADSA-N 2 1 393.575 3.750 20 0 GHADMP COC(=O)C1(c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001307477378 1049314212 /nfs/dbraw/zinc/31/42/12/1049314212.db2.gz LDHHVOWRJYZQEQ-TZIWHRDSSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001307477378 1049314227 /nfs/dbraw/zinc/31/42/27/1049314227.db2.gz LDHHVOWRJYZQEQ-TZIWHRDSSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001307477378 1049314237 /nfs/dbraw/zinc/31/42/37/1049314237.db2.gz LDHHVOWRJYZQEQ-TZIWHRDSSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001307477378 1049314247 /nfs/dbraw/zinc/31/42/47/1049314247.db2.gz LDHHVOWRJYZQEQ-TZIWHRDSSA-N 2 1 384.564 3.978 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC23CCC(CC2)C3)CC1)Cc1ccccc1 ZINC001307503878 1049345532 /nfs/dbraw/zinc/34/55/32/1049345532.db2.gz LUONPEMKMAGJRH-UHFFFAOYSA-N 2 1 383.580 3.527 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001307592080 1049430583 /nfs/dbraw/zinc/43/05/83/1049430583.db2.gz JLAIMIJXDFBWFF-GNBUJSLZSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001307592080 1049430587 /nfs/dbraw/zinc/43/05/87/1049430587.db2.gz JLAIMIJXDFBWFF-GNBUJSLZSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001307592080 1049430600 /nfs/dbraw/zinc/43/06/00/1049430600.db2.gz JLAIMIJXDFBWFF-GNBUJSLZSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001307592080 1049430618 /nfs/dbraw/zinc/43/06/18/1049430618.db2.gz JLAIMIJXDFBWFF-GNBUJSLZSA-N 2 1 377.573 3.629 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750355 1049563822 /nfs/dbraw/zinc/56/38/22/1049563822.db2.gz IJJLBTWYSMAHCI-UGKGYDQZSA-N 2 1 397.588 3.924 20 0 GHADMP Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001307791448 1049595235 /nfs/dbraw/zinc/59/52/35/1049595235.db2.gz IPCWXVAXUDWWEZ-LVCYWYKZSA-N 2 1 383.511 3.564 20 0 GHADMP CCOCC[C@@H](O)C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001307824926 1049618363 /nfs/dbraw/zinc/61/83/63/1049618363.db2.gz BYJSUXMVUASVKC-RPWUZVMVSA-N 2 1 388.596 3.931 20 0 GHADMP C[C@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCN1c1cc[nH+]cc1 ZINC001308040221 1049790554 /nfs/dbraw/zinc/79/05/54/1049790554.db2.gz KHNYERRTOTUPTN-HNNXBMFYSA-N 2 1 383.883 3.538 20 0 GHADMP C[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CCN1c1cc[nH+]cc1 ZINC001308040222 1049790737 /nfs/dbraw/zinc/79/07/37/1049790737.db2.gz KHNYERRTOTUPTN-OAHLLOKOSA-N 2 1 383.883 3.538 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001308202272 1049911045 /nfs/dbraw/zinc/91/10/45/1049911045.db2.gz FHQPMXXLZMERPI-QFIPXVFZSA-N 3 1 386.628 3.963 20 0 GHADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC001308743228 1050078468 /nfs/dbraw/zinc/07/84/68/1050078468.db2.gz SIQZZXIAHRAADB-LJQANCHMSA-N 2 1 394.401 3.666 20 0 GHADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001308957492 1050218201 /nfs/dbraw/zinc/21/82/01/1050218201.db2.gz CPOLJMYLIALROE-ZCNNSNEGSA-N 2 1 385.552 3.686 20 0 GHADMP C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001327888289 1050315435 /nfs/dbraw/zinc/31/54/35/1050315435.db2.gz UFJKPINJYZDCOG-IGIBKXOHSA-N 2 1 383.580 3.950 20 0 GHADMP C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001327888289 1050315465 /nfs/dbraw/zinc/31/54/65/1050315465.db2.gz UFJKPINJYZDCOG-IGIBKXOHSA-N 2 1 383.580 3.950 20 0 GHADMP C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001327888289 1050315481 /nfs/dbraw/zinc/31/54/81/1050315481.db2.gz UFJKPINJYZDCOG-IGIBKXOHSA-N 2 1 383.580 3.950 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1)CC1CC1 ZINC001311346439 1052042472 /nfs/dbraw/zinc/04/24/72/1052042472.db2.gz SYWRKKMYXCLOGW-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001311358071 1052055440 /nfs/dbraw/zinc/05/54/40/1052055440.db2.gz KCGLWLZEGVAQIS-BGYRXZFFSA-N 2 1 388.600 3.694 20 0 GHADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001311358071 1052055454 /nfs/dbraw/zinc/05/54/54/1052055454.db2.gz KCGLWLZEGVAQIS-BGYRXZFFSA-N 2 1 388.600 3.694 20 0 GHADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001311358071 1052055471 /nfs/dbraw/zinc/05/54/71/1052055471.db2.gz KCGLWLZEGVAQIS-BGYRXZFFSA-N 2 1 388.600 3.694 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001311401176 1052103123 /nfs/dbraw/zinc/10/31/23/1052103123.db2.gz VQUAULXZNMCPKP-KCZVDYSFSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001311953203 1052497221 /nfs/dbraw/zinc/49/72/21/1052497221.db2.gz KKCZLKFBJPMMTM-UYAOXDASSA-N 2 1 380.621 3.697 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312014306 1052530171 /nfs/dbraw/zinc/53/01/71/1052530171.db2.gz ZQYJXFCHZNWLQD-YADHBBJMSA-N 2 1 384.568 3.530 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001312412657 1052733566 /nfs/dbraw/zinc/73/35/66/1052733566.db2.gz ATHLXOAXPNMEBC-BEFAXECRSA-N 2 1 398.954 3.549 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001312571494 1052795303 /nfs/dbraw/zinc/79/53/03/1052795303.db2.gz BEOGXFLEMRGUMH-CTNGQTDRSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001312571494 1052795306 /nfs/dbraw/zinc/79/53/06/1052795306.db2.gz BEOGXFLEMRGUMH-CTNGQTDRSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001312571494 1052795312 /nfs/dbraw/zinc/79/53/12/1052795312.db2.gz BEOGXFLEMRGUMH-CTNGQTDRSA-N 2 1 388.600 3.707 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001312656500 1052827902 /nfs/dbraw/zinc/82/79/02/1052827902.db2.gz BSUOBHCDWFGLGZ-OFNKIYASSA-N 2 1 394.563 3.514 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001312797503 1052873840 /nfs/dbraw/zinc/87/38/40/1052873840.db2.gz MISYWPYTMFJIHR-HXUWFJFHSA-N 2 1 396.579 3.717 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001312797503 1052873843 /nfs/dbraw/zinc/87/38/43/1052873843.db2.gz MISYWPYTMFJIHR-HXUWFJFHSA-N 2 1 396.579 3.717 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001312797503 1052873847 /nfs/dbraw/zinc/87/38/47/1052873847.db2.gz MISYWPYTMFJIHR-HXUWFJFHSA-N 2 1 396.579 3.717 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001313002409 1052930833 /nfs/dbraw/zinc/93/08/33/1052930833.db2.gz NRVSQELWFGWRHA-ZJSXRUAMSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001313002409 1052930839 /nfs/dbraw/zinc/93/08/39/1052930839.db2.gz NRVSQELWFGWRHA-ZJSXRUAMSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001313002409 1052930841 /nfs/dbraw/zinc/93/08/41/1052930841.db2.gz NRVSQELWFGWRHA-ZJSXRUAMSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313138190 1052967138 /nfs/dbraw/zinc/96/71/38/1052967138.db2.gz HHHNMAYEQAWGML-PKTZIBPZSA-N 2 1 398.595 3.701 20 0 GHADMP CC1(C)CC[N@@H+](CCNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001313401094 1053042774 /nfs/dbraw/zinc/04/27/74/1053042774.db2.gz NEIIHAMQCCYYTO-UHFFFAOYSA-N 2 1 398.595 3.515 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC001313416027 1053047792 /nfs/dbraw/zinc/04/77/92/1053047792.db2.gz PUJFOFPYNYUQBC-FSSWDIPSSA-N 2 1 386.584 3.585 20 0 GHADMP [NH3+]C[C@H]1CCCC12CCN(C(=O)[C@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CC2 ZINC001342760643 1053342368 /nfs/dbraw/zinc/34/23/68/1053342368.db2.gz FJEDSPVKJRIWOH-VQTJNVASSA-N 2 1 398.595 3.861 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC001317899301 1054297233 /nfs/dbraw/zinc/29/72/33/1054297233.db2.gz OWBJQBLNHKVXDW-HSZRJFAPSA-N 2 1 394.563 3.515 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC001318533015 1054702598 /nfs/dbraw/zinc/70/25/98/1054702598.db2.gz BBVNBCIJFWUSIM-QHCPKHFHSA-N 2 1 395.547 3.929 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC001318591066 1054736456 /nfs/dbraw/zinc/73/64/56/1054736456.db2.gz BOLHXZFUZWNWNK-NRFANRHFSA-N 2 1 378.520 3.703 20 0 GHADMP COc1ccccc1-c1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC001318682259 1054794906 /nfs/dbraw/zinc/79/49/06/1054794906.db2.gz RKMYSRQCJYDMNM-UHFFFAOYSA-N 2 1 384.524 3.833 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC1 ZINC001319183908 1055084865 /nfs/dbraw/zinc/08/48/65/1055084865.db2.gz OTCOJRBVXJKZTE-GIVPXCGWSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC001319920220 1055543091 /nfs/dbraw/zinc/54/30/91/1055543091.db2.gz ZZKMGMGBKHOFLL-MRXNPFEDSA-N 2 1 397.954 3.829 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN(C)C(=O)OC(C)(C)C ZINC001319946380 1055555294 /nfs/dbraw/zinc/55/52/94/1055555294.db2.gz LSKMAPYTDWOGBO-SVFBPWRDSA-N 2 1 389.584 3.990 20 0 GHADMP C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001319959012 1055563390 /nfs/dbraw/zinc/56/33/90/1055563390.db2.gz BNXHFXFPPCKOBR-JMJGKCIBSA-N 2 1 383.580 3.525 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001319994525 1055584901 /nfs/dbraw/zinc/58/49/01/1055584901.db2.gz SVWUGEHKBNUGJH-FQEVSTJZSA-N 2 1 376.504 3.627 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001319995420 1055585376 /nfs/dbraw/zinc/58/53/76/1055585376.db2.gz OSCYNHSHDRRKDC-REWPJTCUSA-N 2 1 383.580 3.937 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001319995420 1055585390 /nfs/dbraw/zinc/58/53/90/1055585390.db2.gz OSCYNHSHDRRKDC-REWPJTCUSA-N 2 1 383.580 3.937 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001320176866 1055692557 /nfs/dbraw/zinc/69/25/57/1055692557.db2.gz NLLJMHVGWUMJDO-FGZHOGPDSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001320176866 1055692563 /nfs/dbraw/zinc/69/25/63/1055692563.db2.gz NLLJMHVGWUMJDO-FGZHOGPDSA-N 2 1 381.495 3.597 20 0 GHADMP Cc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc2c[nH+]cn21 ZINC001321728800 1056376652 /nfs/dbraw/zinc/37/66/52/1056376652.db2.gz FJIQSFIEXZPECJ-OAQYLSRUSA-N 2 1 376.504 3.673 20 0 GHADMP CCON(CC1CCCCC1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848212317 1056888125 /nfs/dbraw/zinc/88/81/25/1056888125.db2.gz FIYXGNJCVSYMLI-UHFFFAOYSA-N 2 1 379.589 3.543 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc(Br)c1OC ZINC001200812059 1056977607 /nfs/dbraw/zinc/97/76/07/1056977607.db2.gz IVGRJLUMPGBACO-LSDHHAIUSA-N 2 1 385.346 3.819 20 0 GHADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)cc(C)[nH+]1 ZINC001324342944 1057116364 /nfs/dbraw/zinc/11/63/64/1057116364.db2.gz DYKJAYDNIAGNQF-UHFFFAOYSA-N 2 1 394.441 3.735 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849059332 1057570857 /nfs/dbraw/zinc/57/08/57/1057570857.db2.gz KGLUBQCDYGMZRW-OYRHEFFESA-N 3 1 399.627 3.523 20 0 GHADMP COc1ccccc1[C@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCCC1 ZINC000849062423 1057573252 /nfs/dbraw/zinc/57/32/52/1057573252.db2.gz IPZDDEPXMOUSOE-NRFANRHFSA-N 2 1 380.536 3.579 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC001340118571 1059708982 /nfs/dbraw/zinc/70/89/82/1059708982.db2.gz OEISINQLVAXAAF-QXNXEDLHSA-N 2 1 377.532 3.802 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001340221764 1059775508 /nfs/dbraw/zinc/77/55/08/1059775508.db2.gz FPLMNDYBTGKAMG-FGZHOGPDSA-N 2 1 383.580 3.527 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448059688 1060092819 /nfs/dbraw/zinc/09/28/19/1060092819.db2.gz CLLYCHMWGBJNTF-ROUUACIJSA-N 2 1 385.474 3.545 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001448079577 1060099264 /nfs/dbraw/zinc/09/92/64/1060099264.db2.gz JZWFXOCHKFOFQL-DNVJHFABSA-N 2 1 397.538 3.626 20 0 GHADMP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001449828056 1060468921 /nfs/dbraw/zinc/46/89/21/1060468921.db2.gz VMRYXOYBSBSAGA-QFIPXVFZSA-N 2 1 385.596 3.868 20 0 GHADMP C[NH+](Cc1cccc(C[N@H+](C)C2CCC(CO)CC2)c1)C1CCC(CO)CC1 ZINC001341369041 1060618433 /nfs/dbraw/zinc/61/84/33/1060618433.db2.gz DRTZSVXGBUGCND-UHFFFAOYSA-N 2 1 388.596 3.652 20 0 GHADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001341793056 1060899843 /nfs/dbraw/zinc/89/98/43/1060899843.db2.gz ZAZOASGQFUQSCH-PMACEKPBSA-N 2 1 395.572 3.521 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC001453319698 1061108102 /nfs/dbraw/zinc/10/81/02/1061108102.db2.gz HXPHSGVBAVKLRV-BHIFYINESA-N 2 1 385.596 3.770 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001453319698 1061108112 /nfs/dbraw/zinc/10/81/12/1061108112.db2.gz HXPHSGVBAVKLRV-BHIFYINESA-N 2 1 385.596 3.770 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001453319698 1061108118 /nfs/dbraw/zinc/10/81/18/1061108118.db2.gz HXPHSGVBAVKLRV-BHIFYINESA-N 2 1 385.596 3.770 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001454127299 1061618751 /nfs/dbraw/zinc/61/87/51/1061618751.db2.gz PWHQQCJWDAKIKK-AKIFATBCSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001454125240 1061620921 /nfs/dbraw/zinc/62/09/21/1061620921.db2.gz ZSWOLIMXVQPAMH-YADHBBJMSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454125240 1061620948 /nfs/dbraw/zinc/62/09/48/1061620948.db2.gz ZSWOLIMXVQPAMH-YADHBBJMSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454125240 1061620994 /nfs/dbraw/zinc/62/09/94/1061620994.db2.gz ZSWOLIMXVQPAMH-YADHBBJMSA-N 2 1 383.580 3.525 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001454880601 1061950442 /nfs/dbraw/zinc/95/04/42/1061950442.db2.gz SLWYYRQRIQHCRJ-LADGPHEKSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001454880601 1061950444 /nfs/dbraw/zinc/95/04/44/1061950444.db2.gz SLWYYRQRIQHCRJ-LADGPHEKSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001454880601 1061950449 /nfs/dbraw/zinc/95/04/49/1061950449.db2.gz SLWYYRQRIQHCRJ-LADGPHEKSA-N 2 1 397.607 3.854 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001347602720 1062519425 /nfs/dbraw/zinc/51/94/25/1062519425.db2.gz LCZYXPGHYSDREL-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)C2)cc1 ZINC001457981683 1063481535 /nfs/dbraw/zinc/48/15/35/1063481535.db2.gz SNCLOLFNVNTMIF-BJKOFHAPSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3cccc([C@H]4CCC[NH+](C)C4)c3)C2)cc1 ZINC001457981683 1063481559 /nfs/dbraw/zinc/48/15/59/1063481559.db2.gz SNCLOLFNVNTMIF-BJKOFHAPSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cccc([C@H]4CCC[NH+](C)C4)c3)C2)cc1 ZINC001457981683 1063481585 /nfs/dbraw/zinc/48/15/85/1063481585.db2.gz SNCLOLFNVNTMIF-BJKOFHAPSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C2CCCC2)CC1 ZINC001459345627 1064069900 /nfs/dbraw/zinc/06/99/00/1064069900.db2.gz IKTQLXFBGDRNLI-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC001459345627 1064069911 /nfs/dbraw/zinc/06/99/11/1064069911.db2.gz IKTQLXFBGDRNLI-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC001459345627 1064069916 /nfs/dbraw/zinc/06/99/16/1064069916.db2.gz IKTQLXFBGDRNLI-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC001459789406 1064218077 /nfs/dbraw/zinc/21/80/77/1064218077.db2.gz ZTZJZHMCDAAMSZ-HEFCMCLBSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001459789406 1064218086 /nfs/dbraw/zinc/21/80/86/1064218086.db2.gz ZTZJZHMCDAAMSZ-HEFCMCLBSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)cc(Cl)c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001459789406 1064218092 /nfs/dbraw/zinc/21/80/92/1064218092.db2.gz ZTZJZHMCDAAMSZ-HEFCMCLBSA-N 2 1 399.362 3.682 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC001350929442 1064220605 /nfs/dbraw/zinc/22/06/05/1064220605.db2.gz DKXJGCQWIHZPLE-SFHVURJKSA-N 2 1 376.504 3.944 20 0 GHADMP CN(CC[N@@H+](C)CCCOc1cccc(C(C)(C)C)c1)C1CC[NH+](C)CC1 ZINC001459887256 1064257681 /nfs/dbraw/zinc/25/76/81/1064257681.db2.gz ULPADZRKBHFPKV-UHFFFAOYSA-N 2 1 375.601 3.711 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905720 1064265363 /nfs/dbraw/zinc/26/53/63/1064265363.db2.gz LPYAZWMUPSFIRC-LADGPHEKSA-N 2 1 379.548 3.503 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001460027888 1064358030 /nfs/dbraw/zinc/35/80/30/1064358030.db2.gz HMCWNLMIEKIEBZ-LJQANCHMSA-N 2 1 388.556 3.798 20 0 GHADMP CC(C)(C)OC(=O)N(CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC001460049800 1064375259 /nfs/dbraw/zinc/37/52/59/1064375259.db2.gz YMZUPMWCPXIDCR-OYRHEFFESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N(CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC001460049800 1064375273 /nfs/dbraw/zinc/37/52/73/1064375273.db2.gz YMZUPMWCPXIDCR-OYRHEFFESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N(CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC001460049800 1064375291 /nfs/dbraw/zinc/37/52/91/1064375291.db2.gz YMZUPMWCPXIDCR-OYRHEFFESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N(CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC001460049800 1064375301 /nfs/dbraw/zinc/37/53/01/1064375301.db2.gz YMZUPMWCPXIDCR-OYRHEFFESA-N 2 1 399.579 3.840 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC001463760972 1064593208 /nfs/dbraw/zinc/59/32/08/1064593208.db2.gz BRPQKHOIPXAGLY-PKTZIBPZSA-N 2 1 397.538 3.908 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464510386 1065054656 /nfs/dbraw/zinc/05/46/56/1065054656.db2.gz CPIIVUJADVRYFS-OEMFJLHTSA-N 2 1 397.607 3.771 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464510386 1065054665 /nfs/dbraw/zinc/05/46/65/1065054665.db2.gz CPIIVUJADVRYFS-OEMFJLHTSA-N 2 1 397.607 3.771 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464510386 1065054673 /nfs/dbraw/zinc/05/46/73/1065054673.db2.gz CPIIVUJADVRYFS-OEMFJLHTSA-N 2 1 397.607 3.771 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC001465558187 1065713383 /nfs/dbraw/zinc/71/33/83/1065713383.db2.gz XHTKIHJGUQGUHP-OIBXWCBGSA-N 2 1 397.538 3.626 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC001465558187 1065713399 /nfs/dbraw/zinc/71/33/99/1065713399.db2.gz XHTKIHJGUQGUHP-OIBXWCBGSA-N 2 1 397.538 3.626 20 0 GHADMP CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001465743995 1065823945 /nfs/dbraw/zinc/82/39/45/1065823945.db2.gz AMJNEUJJNZARAY-PKTZIBPZSA-N 2 1 379.548 3.802 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001467140139 1067096685 /nfs/dbraw/zinc/09/66/85/1067096685.db2.gz RWBZBZLWRNJIHW-INIZCTEOSA-N 2 1 395.617 3.974 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1nc(C2CCCCCC2)cs1 ZINC001467140139 1067096698 /nfs/dbraw/zinc/09/66/98/1067096698.db2.gz RWBZBZLWRNJIHW-INIZCTEOSA-N 2 1 395.617 3.974 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001468173025 1067620077 /nfs/dbraw/zinc/62/00/77/1067620077.db2.gz APZAVLHBARMIPP-ZNTQHIFFSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001468225303 1067638778 /nfs/dbraw/zinc/63/87/78/1067638778.db2.gz IKMOJHBGBDHDOJ-OAQYLSRUSA-N 2 1 397.607 3.807 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001477786933 1078566638 /nfs/dbraw/zinc/56/66/38/1078566638.db2.gz IGFHJYGQLTYHQR-VSKRKVRLSA-N 2 1 386.584 3.555 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000849102224 1067728626 /nfs/dbraw/zinc/72/86/26/1067728626.db2.gz IJDLNAISNXAOKX-KRWDZBQOSA-N 2 1 384.524 3.941 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000849102224 1067728635 /nfs/dbraw/zinc/72/86/35/1067728635.db2.gz IJDLNAISNXAOKX-KRWDZBQOSA-N 2 1 384.524 3.941 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCCC[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001468721225 1067847367 /nfs/dbraw/zinc/84/73/67/1067847367.db2.gz SJWUXLLCGMKUAM-SWUCNREESA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001468721225 1067847373 /nfs/dbraw/zinc/84/73/73/1067847373.db2.gz SJWUXLLCGMKUAM-SWUCNREESA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001468721225 1067847376 /nfs/dbraw/zinc/84/73/76/1067847376.db2.gz SJWUXLLCGMKUAM-SWUCNREESA-N 2 1 383.580 3.525 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001477865137 1078600454 /nfs/dbraw/zinc/60/04/54/1078600454.db2.gz HAWXOVBIPCXREN-GPQLQYNLSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001477865137 1078600456 /nfs/dbraw/zinc/60/04/56/1078600456.db2.gz HAWXOVBIPCXREN-GPQLQYNLSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001477865137 1078600461 /nfs/dbraw/zinc/60/04/61/1078600461.db2.gz HAWXOVBIPCXREN-GPQLQYNLSA-N 2 1 386.584 3.554 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001477866667 1078602475 /nfs/dbraw/zinc/60/24/75/1078602475.db2.gz JTEHULPRWIINMO-TZIWHRDSSA-N 2 1 392.632 3.983 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001477866667 1078602477 /nfs/dbraw/zinc/60/24/77/1078602477.db2.gz JTEHULPRWIINMO-TZIWHRDSSA-N 2 1 392.632 3.983 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001477866667 1078602481 /nfs/dbraw/zinc/60/24/81/1078602481.db2.gz JTEHULPRWIINMO-TZIWHRDSSA-N 2 1 392.632 3.983 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057399 1078694815 /nfs/dbraw/zinc/69/48/15/1078694815.db2.gz KOFPYZSOUVSRJM-PMACEKPBSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769145096 1068328353 /nfs/dbraw/zinc/32/83/53/1068328353.db2.gz BGTFPZVKOPCRGX-LJQANCHMSA-N 2 1 391.556 3.506 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001478073033 1078702250 /nfs/dbraw/zinc/70/22/50/1078702250.db2.gz NKOWJXXWNLEOQU-FQEVSTJZSA-N 2 1 398.595 3.872 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001470086943 1068565211 /nfs/dbraw/zinc/56/52/11/1068565211.db2.gz JHGWDPBJIWXPKB-XPWALMASSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001470086943 1068565218 /nfs/dbraw/zinc/56/52/18/1068565218.db2.gz JHGWDPBJIWXPKB-XPWALMASSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001470086943 1068565224 /nfs/dbraw/zinc/56/52/24/1068565224.db2.gz JHGWDPBJIWXPKB-XPWALMASSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001470259874 1068651225 /nfs/dbraw/zinc/65/12/25/1068651225.db2.gz QCSUNDJMYDMOHV-IRLDBZIGSA-N 2 1 386.584 3.585 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)[NH+](CC)CC)cc1 ZINC001470355715 1068696913 /nfs/dbraw/zinc/69/69/13/1068696913.db2.gz IHIUKUVSVBXYGL-OAQYLSRUSA-N 2 1 388.600 3.758 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001470364182 1068701947 /nfs/dbraw/zinc/70/19/47/1068701947.db2.gz OYPMFQKALUWWLS-IFMALSPDSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001470364182 1068701956 /nfs/dbraw/zinc/70/19/56/1068701956.db2.gz OYPMFQKALUWWLS-IFMALSPDSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001470364182 1068701971 /nfs/dbraw/zinc/70/19/71/1068701971.db2.gz OYPMFQKALUWWLS-IFMALSPDSA-N 2 1 388.600 3.851 20 0 GHADMP O=C(NC[C@H]1CCN1Cc1ccccc1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001470376007 1068709014 /nfs/dbraw/zinc/70/90/14/1068709014.db2.gz RUCGVCGFHMKOOB-PKTZIBPZSA-N 2 1 395.522 3.571 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cccc4nsnc43)cc2)C[C@H](C)O1 ZINC001460315842 1068921051 /nfs/dbraw/zinc/92/10/51/1068921051.db2.gz BPDDCAJIQHULAP-CALCHBBNSA-N 2 1 396.560 3.933 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cccc4nsnc43)cc2)C[C@H](C)O1 ZINC001460315842 1068921053 /nfs/dbraw/zinc/92/10/53/1068921053.db2.gz BPDDCAJIQHULAP-CALCHBBNSA-N 2 1 396.560 3.933 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cccc4nsnc43)cc2)C[C@H](C)O1 ZINC001460315842 1068921058 /nfs/dbraw/zinc/92/10/58/1068921058.db2.gz BPDDCAJIQHULAP-CALCHBBNSA-N 2 1 396.560 3.933 20 0 GHADMP COCC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)CC1CC[NH+](C)CC1 ZINC001460603998 1069020711 /nfs/dbraw/zinc/02/07/11/1069020711.db2.gz HKDGJWAUSAWAJT-UHFFFAOYSA-N 2 1 375.340 3.662 20 0 GHADMP C[C@H](CCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCC1 ZINC001478416422 1078859661 /nfs/dbraw/zinc/85/96/61/1078859661.db2.gz APQPBCDCBCVCCG-HKBOAZHASA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC001478599137 1078930253 /nfs/dbraw/zinc/93/02/53/1078930253.db2.gz GTHNQTQVPDKATI-PTUXOGIPSA-N 2 1 394.563 3.685 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC001478599137 1078930259 /nfs/dbraw/zinc/93/02/59/1078930259.db2.gz GTHNQTQVPDKATI-PTUXOGIPSA-N 2 1 394.563 3.685 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001478656393 1078947282 /nfs/dbraw/zinc/94/72/82/1078947282.db2.gz JFTMXQXGGCVDAF-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001478656393 1078947284 /nfs/dbraw/zinc/94/72/84/1078947284.db2.gz JFTMXQXGGCVDAF-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001478656393 1078947289 /nfs/dbraw/zinc/94/72/89/1078947289.db2.gz JFTMXQXGGCVDAF-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001470785171 1072738840 /nfs/dbraw/zinc/73/88/40/1072738840.db2.gz YCJYFBYDTVUOCS-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001470785171 1072738849 /nfs/dbraw/zinc/73/88/49/1072738849.db2.gz YCJYFBYDTVUOCS-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001470785171 1072738859 /nfs/dbraw/zinc/73/88/59/1072738859.db2.gz YCJYFBYDTVUOCS-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001470785173 1072739327 /nfs/dbraw/zinc/73/93/27/1072739327.db2.gz YCJYFBYDTVUOCS-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001470785173 1072739337 /nfs/dbraw/zinc/73/93/37/1072739337.db2.gz YCJYFBYDTVUOCS-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001470785173 1072739347 /nfs/dbraw/zinc/73/93/47/1072739347.db2.gz YCJYFBYDTVUOCS-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)[NH+](CC)CC)cc1 ZINC001478733935 1078969855 /nfs/dbraw/zinc/96/98/55/1078969855.db2.gz ARTOAZWPCWTSEG-BDTNDASRSA-N 2 1 386.584 3.510 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCCC3)CC2)c1 ZINC001471114366 1072928369 /nfs/dbraw/zinc/92/83/69/1072928369.db2.gz CGEDFOVLOUTHHY-HSZRJFAPSA-N 2 1 398.595 3.619 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)CC2)c1 ZINC001471114366 1072928375 /nfs/dbraw/zinc/92/83/75/1072928375.db2.gz CGEDFOVLOUTHHY-HSZRJFAPSA-N 2 1 398.595 3.619 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001471400060 1073053682 /nfs/dbraw/zinc/05/36/82/1073053682.db2.gz SYJJPBSRBOFIBX-PKTZIBPZSA-N 2 1 383.580 3.907 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001471400060 1073053691 /nfs/dbraw/zinc/05/36/91/1073053691.db2.gz SYJJPBSRBOFIBX-PKTZIBPZSA-N 2 1 383.580 3.907 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001471400060 1073053696 /nfs/dbraw/zinc/05/36/96/1073053696.db2.gz SYJJPBSRBOFIBX-PKTZIBPZSA-N 2 1 383.580 3.907 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(N2CC[NH+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001471556929 1073132872 /nfs/dbraw/zinc/13/28/72/1073132872.db2.gz KBTFCCPCMMZHMV-XZOQPEGZSA-N 2 1 392.547 3.603 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001471556929 1073132874 /nfs/dbraw/zinc/13/28/74/1073132874.db2.gz KBTFCCPCMMZHMV-XZOQPEGZSA-N 2 1 392.547 3.603 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)c1ccccc1 ZINC001471556929 1073132876 /nfs/dbraw/zinc/13/28/76/1073132876.db2.gz KBTFCCPCMMZHMV-XZOQPEGZSA-N 2 1 392.547 3.603 20 0 GHADMP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001479107345 1079106936 /nfs/dbraw/zinc/10/69/36/1079106936.db2.gz POTQEHWGLDPLIQ-NRFANRHFSA-N 2 1 388.600 3.660 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC001472522487 1073529380 /nfs/dbraw/zinc/52/93/80/1073529380.db2.gz OQVJGMOWZVFCMS-QHCPKHFHSA-N 2 1 385.596 3.984 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(CNc3cc[nH+]cc3C(F)(F)F)cc2)C[C@H](C)O1 ZINC001472655643 1073599596 /nfs/dbraw/zinc/59/95/96/1073599596.db2.gz VFTKGFGBQLPSPH-GASCZTMLSA-N 2 1 379.426 3.744 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163450 1073821731 /nfs/dbraw/zinc/82/17/31/1073821731.db2.gz JZLLLBHRDZBFTJ-CDPNLFKUSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163450 1073821744 /nfs/dbraw/zinc/82/17/44/1073821744.db2.gz JZLLLBHRDZBFTJ-CDPNLFKUSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163450 1073821759 /nfs/dbraw/zinc/82/17/59/1073821759.db2.gz JZLLLBHRDZBFTJ-CDPNLFKUSA-N 2 1 391.559 3.644 20 0 GHADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001473273572 1073901793 /nfs/dbraw/zinc/90/17/93/1073901793.db2.gz QFQGHZVMJAUPED-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[C@@H](C)[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001473273572 1073901796 /nfs/dbraw/zinc/90/17/96/1073901796.db2.gz QFQGHZVMJAUPED-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[C@@H](C)[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001473273572 1073901798 /nfs/dbraw/zinc/90/17/98/1073901798.db2.gz QFQGHZVMJAUPED-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC001473408626 1073953146 /nfs/dbraw/zinc/95/31/46/1073953146.db2.gz KSHBMMFIUFHPSI-BBRMVZONSA-N 2 1 375.376 3.737 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC001473408626 1073953150 /nfs/dbraw/zinc/95/31/50/1073953150.db2.gz KSHBMMFIUFHPSI-BBRMVZONSA-N 2 1 375.376 3.737 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669917 1074076446 /nfs/dbraw/zinc/07/64/46/1074076446.db2.gz DRIHMWGZSBVGKD-SFTDATJTSA-N 2 1 375.557 3.723 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669917 1074076448 /nfs/dbraw/zinc/07/64/48/1074076448.db2.gz DRIHMWGZSBVGKD-SFTDATJTSA-N 2 1 375.557 3.723 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669917 1074076450 /nfs/dbraw/zinc/07/64/50/1074076450.db2.gz DRIHMWGZSBVGKD-SFTDATJTSA-N 2 1 375.557 3.723 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@H]21 ZINC001473725347 1074109601 /nfs/dbraw/zinc/10/96/01/1074109601.db2.gz NTUBYXAZCYKQIB-NFBKMPQASA-N 2 1 393.531 3.620 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@H]21 ZINC001473725347 1074109606 /nfs/dbraw/zinc/10/96/06/1074109606.db2.gz NTUBYXAZCYKQIB-NFBKMPQASA-N 2 1 393.531 3.620 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@H]21 ZINC001473725347 1074109608 /nfs/dbraw/zinc/10/96/08/1074109608.db2.gz NTUBYXAZCYKQIB-NFBKMPQASA-N 2 1 393.531 3.620 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@H]21 ZINC001473725347 1074109610 /nfs/dbraw/zinc/10/96/10/1074109610.db2.gz NTUBYXAZCYKQIB-NFBKMPQASA-N 2 1 393.531 3.620 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2csc(-c3ccn(C)n3)n2)C[N@H+]1Cc1ccccc1 ZINC001474072884 1074254618 /nfs/dbraw/zinc/25/46/18/1074254618.db2.gz ACQKYIOIQDLYJZ-PKOBYXMFSA-N 2 1 395.576 3.934 20 0 GHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)C2)cc1 ZINC001474112615 1074267671 /nfs/dbraw/zinc/26/76/71/1074267671.db2.gz LNMJDPCDQBAWSW-TZRRMPRUSA-N 2 1 386.580 3.853 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)C2)cc1 ZINC001474112615 1074267676 /nfs/dbraw/zinc/26/76/76/1074267676.db2.gz LNMJDPCDQBAWSW-TZRRMPRUSA-N 2 1 386.580 3.853 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001474317050 1074338525 /nfs/dbraw/zinc/33/85/25/1074338525.db2.gz HPLRJRYPRCQWNW-KKUMJFAQSA-N 2 1 381.483 3.637 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001474317050 1074338533 /nfs/dbraw/zinc/33/85/33/1074338533.db2.gz HPLRJRYPRCQWNW-KKUMJFAQSA-N 2 1 381.483 3.637 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001474317050 1074338543 /nfs/dbraw/zinc/33/85/43/1074338543.db2.gz HPLRJRYPRCQWNW-KKUMJFAQSA-N 2 1 381.483 3.637 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001474317050 1074338553 /nfs/dbraw/zinc/33/85/53/1074338553.db2.gz HPLRJRYPRCQWNW-KKUMJFAQSA-N 2 1 381.483 3.637 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@H]1Oc1ccccc1 ZINC001474388756 1074380232 /nfs/dbraw/zinc/38/02/32/1074380232.db2.gz VCKZHDOMVIHATF-GMKZXUHWSA-N 2 1 394.559 3.979 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001474503203 1074435838 /nfs/dbraw/zinc/43/58/38/1074435838.db2.gz HJUVXXRYTDZOGX-UHFFFAOYSA-N 2 1 376.545 3.557 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001474503203 1074435841 /nfs/dbraw/zinc/43/58/41/1074435841.db2.gz HJUVXXRYTDZOGX-UHFFFAOYSA-N 2 1 376.545 3.557 20 0 GHADMP COc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+]([C@H]4CCC[C@H](C)C4)CC3)C2)cc1 ZINC001474692631 1074518955 /nfs/dbraw/zinc/51/89/55/1074518955.db2.gz JLERLSYUSXGWKI-XJABCFGWSA-N 2 1 385.552 3.821 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001474722076 1074533515 /nfs/dbraw/zinc/53/35/15/1074533515.db2.gz CMKZEKJUPQIGIK-NZQKXSOJSA-N 2 1 378.516 3.973 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001474722076 1074533523 /nfs/dbraw/zinc/53/35/23/1074533523.db2.gz CMKZEKJUPQIGIK-NZQKXSOJSA-N 2 1 378.516 3.973 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001474743996 1074542795 /nfs/dbraw/zinc/54/27/95/1074542795.db2.gz AHXMTOSZEIBXBL-XPWALMASSA-N 2 1 378.516 3.864 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826330846 609251770 /nfs/dbraw/zinc/25/17/70/609251770.db2.gz KMBDQZDPIAPLGT-HNNXBMFYSA-N 2 1 385.475 3.701 20 0 GHADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164788667 721461276 /nfs/dbraw/zinc/46/12/76/721461276.db2.gz VLLLGPPGCNNELR-JOCHJYFZSA-N 2 1 399.579 3.693 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164788667 721461279 /nfs/dbraw/zinc/46/12/79/721461279.db2.gz VLLLGPPGCNNELR-JOCHJYFZSA-N 2 1 399.579 3.693 20 0 GHADMP Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(N2CCCC2)[nH+]1 ZINC001164993969 722192987 /nfs/dbraw/zinc/19/29/87/722192987.db2.gz KAKHYABKRMYMNY-QHCPKHFHSA-N 2 1 395.526 3.769 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414108959 837570917 /nfs/dbraw/zinc/57/09/17/837570917.db2.gz GTXJKPTUUKHBPK-GGPKGHCWSA-N 2 1 377.960 3.543 20 0 GHADMP Cc1nc(-c2ccc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)cs1 ZINC000655698848 837689196 /nfs/dbraw/zinc/68/91/96/837689196.db2.gz XUZRDNSOYLETRT-INIZCTEOSA-N 2 1 377.579 3.565 20 0 GHADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000613540356 837732141 /nfs/dbraw/zinc/73/21/41/837732141.db2.gz XVEBDYPIXAEZQX-OAQYLSRUSA-N 2 1 388.552 3.715 20 0 GHADMP COC(=O)c1c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000579712850 834421570 /nfs/dbraw/zinc/42/15/70/834421570.db2.gz YCQOSLFTXSWVHI-FUHWJXTLSA-N 2 1 389.499 3.858 20 0 GHADMP COC(=O)c1c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000579712850 834421574 /nfs/dbraw/zinc/42/15/74/834421574.db2.gz YCQOSLFTXSWVHI-FUHWJXTLSA-N 2 1 389.499 3.858 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705334 834521300 /nfs/dbraw/zinc/52/13/00/834521300.db2.gz DYYWNCQBOZGYEO-IRFCIJBXSA-N 2 1 376.541 3.592 20 0 GHADMP Clc1ccc(COCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000655738646 837781586 /nfs/dbraw/zinc/78/15/86/837781586.db2.gz NZQJAENYPCJQKA-SFHVURJKSA-N 2 1 387.351 3.743 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000583516655 834554349 /nfs/dbraw/zinc/55/43/49/834554349.db2.gz HSNHQYXVTCVACI-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000583516655 834554356 /nfs/dbraw/zinc/55/43/56/834554356.db2.gz HSNHQYXVTCVACI-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000583516655 834554361 /nfs/dbraw/zinc/55/43/61/834554361.db2.gz HSNHQYXVTCVACI-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000655735320 837784689 /nfs/dbraw/zinc/78/46/89/837784689.db2.gz GYTIUTNHYZRTLP-LAUBAEHRSA-N 2 1 388.531 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000655735320 837784692 /nfs/dbraw/zinc/78/46/92/837784692.db2.gz GYTIUTNHYZRTLP-LAUBAEHRSA-N 2 1 388.531 3.546 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C4CCCC4)CC3)CC2)CC1 ZINC000654841317 834649856 /nfs/dbraw/zinc/64/98/56/834649856.db2.gz ZKSIDAVFNACJQE-UHFFFAOYSA-N 2 1 375.601 3.612 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCC4)c(C)nc2s1 ZINC000657771336 834657186 /nfs/dbraw/zinc/65/71/86/834657186.db2.gz BJEMUTKKELHDRH-IBGZPJMESA-N 2 1 395.576 3.800 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)c(C)nc2s1 ZINC000657771336 834657190 /nfs/dbraw/zinc/65/71/90/834657190.db2.gz BJEMUTKKELHDRH-IBGZPJMESA-N 2 1 395.576 3.800 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cnc2n1 ZINC000657771296 834659919 /nfs/dbraw/zinc/65/99/19/834659919.db2.gz AWIXCSJXWUPWDU-NRFANRHFSA-N 2 1 389.547 3.738 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000118773846 834680071 /nfs/dbraw/zinc/68/00/71/834680071.db2.gz UEICMJXJIRBHOF-HDICACEKSA-N 2 1 385.552 3.982 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000583588044 834701493 /nfs/dbraw/zinc/70/14/93/834701493.db2.gz MXCAANMACKYEIJ-LADGPHEKSA-N 2 1 375.516 3.772 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000583588044 834701497 /nfs/dbraw/zinc/70/14/97/834701497.db2.gz MXCAANMACKYEIJ-LADGPHEKSA-N 2 1 375.516 3.772 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OCCC(C)C ZINC000650723372 834701580 /nfs/dbraw/zinc/70/15/80/834701580.db2.gz MUWAMHWYFARQPM-TUNNFDKTSA-N 2 1 390.568 3.981 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000583588045 834702133 /nfs/dbraw/zinc/70/21/33/834702133.db2.gz MXCAANMACKYEIJ-UPVQGACJSA-N 2 1 375.516 3.772 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000583588045 834702139 /nfs/dbraw/zinc/70/21/39/834702139.db2.gz MXCAANMACKYEIJ-UPVQGACJSA-N 2 1 375.516 3.772 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(COc3ccccc3)n2)C1 ZINC000650723936 834707735 /nfs/dbraw/zinc/70/77/35/834707735.db2.gz WBVUAZAGRNWTDU-AHRSYUTCSA-N 2 1 387.549 3.583 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(COc3ccccc3)n2)C1 ZINC000650723936 834707736 /nfs/dbraw/zinc/70/77/36/834707736.db2.gz WBVUAZAGRNWTDU-AHRSYUTCSA-N 2 1 387.549 3.583 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)c1 ZINC000141127624 834761664 /nfs/dbraw/zinc/76/16/64/834761664.db2.gz GKBRUMWULCAFMS-WMZHIEFXSA-N 2 1 394.563 3.773 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000141127624 834761670 /nfs/dbraw/zinc/76/16/70/834761670.db2.gz GKBRUMWULCAFMS-WMZHIEFXSA-N 2 1 394.563 3.773 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000141127624 834761676 /nfs/dbraw/zinc/76/16/76/834761676.db2.gz GKBRUMWULCAFMS-WMZHIEFXSA-N 2 1 394.563 3.773 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([C@H](C)C(F)(F)F)cc3)C2)CC1 ZINC000579796529 834777419 /nfs/dbraw/zinc/77/74/19/834777419.db2.gz KCYMXXILUSAMAY-FXAWDEMLSA-N 2 1 383.502 3.953 20 0 GHADMP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657881137 834888742 /nfs/dbraw/zinc/88/87/42/834888742.db2.gz GGCJFCTZCXTLSK-ZDUSSCGKSA-N 2 1 378.866 3.990 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1)C1CC[NH+](C)CC1 ZINC000569633921 834909463 /nfs/dbraw/zinc/90/94/63/834909463.db2.gz JCRQLJSDGLIJTI-HXUWFJFHSA-N 2 1 387.959 3.514 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000650753250 835010460 /nfs/dbraw/zinc/01/04/60/835010460.db2.gz JXBQFISPPGWHKE-OAHLLOKOSA-N 2 1 390.524 3.852 20 0 GHADMP CC(C)(C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000685441963 835011123 /nfs/dbraw/zinc/01/11/23/835011123.db2.gz OFURPBDHEUMNHT-DEOSSOPVSA-N 2 1 377.576 3.856 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457288 835022119 /nfs/dbraw/zinc/02/21/19/835022119.db2.gz UIJBMXVADUDJFG-DEOSSOPVSA-N 2 1 393.575 3.963 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457288 835022125 /nfs/dbraw/zinc/02/21/25/835022125.db2.gz UIJBMXVADUDJFG-DEOSSOPVSA-N 2 1 393.575 3.963 20 0 GHADMP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(OC(F)F)cc1C ZINC000685457941 835022842 /nfs/dbraw/zinc/02/28/42/835022842.db2.gz UGJZGGALHXVDTI-IBGZPJMESA-N 2 1 381.511 3.505 20 0 GHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(OC(F)F)cc1C ZINC000685457941 835022848 /nfs/dbraw/zinc/02/28/48/835022848.db2.gz UGJZGGALHXVDTI-IBGZPJMESA-N 2 1 381.511 3.505 20 0 GHADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000685458004 835023527 /nfs/dbraw/zinc/02/35/27/835023527.db2.gz XESDJOICKDRGIR-JXFKEZNVSA-N 2 1 394.401 3.653 20 0 GHADMP CN1CCC([N@H+](Cc2ccco2)Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000685467039 835032582 /nfs/dbraw/zinc/03/25/82/835032582.db2.gz QCEKOGWMOMTXBQ-UHFFFAOYSA-N 2 1 397.563 3.851 20 0 GHADMP CN1CCC([N@@H+](Cc2ccco2)Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000685467039 835032588 /nfs/dbraw/zinc/03/25/88/835032588.db2.gz QCEKOGWMOMTXBQ-UHFFFAOYSA-N 2 1 397.563 3.851 20 0 GHADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000109015789 835055185 /nfs/dbraw/zinc/05/51/85/835055185.db2.gz FOSGMOLOGKFPKZ-FYYLOGMGSA-N 2 1 395.522 3.553 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000109015789 835055195 /nfs/dbraw/zinc/05/51/95/835055195.db2.gz FOSGMOLOGKFPKZ-FYYLOGMGSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000109015789 835055207 /nfs/dbraw/zinc/05/52/07/835055207.db2.gz FOSGMOLOGKFPKZ-FYYLOGMGSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000109015789 835055218 /nfs/dbraw/zinc/05/52/18/835055218.db2.gz FOSGMOLOGKFPKZ-FYYLOGMGSA-N 2 1 395.522 3.553 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1cc(F)cc(F)c1 ZINC000563782884 835055903 /nfs/dbraw/zinc/05/59/03/835055903.db2.gz PCNZHSPHOFZKRK-OALUTQOASA-N 2 1 399.485 3.747 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1cc(F)cc(F)c1 ZINC000563782884 835055915 /nfs/dbraw/zinc/05/59/15/835055915.db2.gz PCNZHSPHOFZKRK-OALUTQOASA-N 2 1 399.485 3.747 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)Nc1cc(F)cc(F)c1 ZINC000563782884 835055923 /nfs/dbraw/zinc/05/59/23/835055923.db2.gz PCNZHSPHOFZKRK-OALUTQOASA-N 2 1 399.485 3.747 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000119270785 835167226 /nfs/dbraw/zinc/16/72/26/835167226.db2.gz CCTSHEUQHSHQSF-UHFFFAOYSA-N 2 1 385.527 3.522 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C3CCC3)C3CCCC3)CC2)CC1 ZINC000655158170 835310017 /nfs/dbraw/zinc/31/00/17/835310017.db2.gz QSXSXZZHELLZJK-JOCHJYFZSA-N 2 1 375.601 3.658 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc12 ZINC000657971430 835323979 /nfs/dbraw/zinc/32/39/79/835323979.db2.gz OCWREIJJUCAUFX-YMPZKCBVSA-N 2 1 389.547 3.667 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309753384 835349622 /nfs/dbraw/zinc/34/96/22/835349622.db2.gz WLWJNTIIBMHRRD-PCCBWWKXSA-N 2 1 387.568 3.792 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092572 835417065 /nfs/dbraw/zinc/41/70/65/835417065.db2.gz QNDFTESIYPZOMU-BBRMVZONSA-N 2 1 382.346 3.629 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000548860673 835452151 /nfs/dbraw/zinc/45/21/51/835452151.db2.gz CQYSUKUWHFRCHX-XLIONFOSSA-N 2 1 387.597 3.699 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1Br ZINC000658144159 835454230 /nfs/dbraw/zinc/45/42/30/835454230.db2.gz KRCSLCNJFGYCGE-YJBOKZPZSA-N 2 1 389.337 3.867 20 0 GHADMP Fc1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ncc[nH]2)cc1 ZINC000658167506 835483010 /nfs/dbraw/zinc/48/30/10/835483010.db2.gz SJPLTJBFHPCKDF-NRFANRHFSA-N 2 1 379.483 3.535 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000647321115 835540365 /nfs/dbraw/zinc/54/03/65/835540365.db2.gz XZGUJAMAPGRMGG-QRVBRYPASA-N 2 1 378.582 3.656 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000584248526 835807636 /nfs/dbraw/zinc/80/76/36/835807636.db2.gz SJSZTBBXJYVDPA-BGYRXZFFSA-N 2 1 390.568 3.564 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000584248526 835807640 /nfs/dbraw/zinc/80/76/40/835807640.db2.gz SJSZTBBXJYVDPA-BGYRXZFFSA-N 2 1 390.568 3.564 20 0 GHADMP C[C@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000584468044 836035178 /nfs/dbraw/zinc/03/51/78/836035178.db2.gz VQWRLPKQROEKJA-SIKLNZKXSA-N 2 1 379.548 3.836 20 0 GHADMP C[C@@H](c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1)[NH+]1CCOCC1 ZINC000547758094 836097966 /nfs/dbraw/zinc/09/79/66/836097966.db2.gz FHERWUNXWFWOEP-IBGZPJMESA-N 2 1 393.531 3.928 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000511496549 836231869 /nfs/dbraw/zinc/23/18/69/836231869.db2.gz RKIKMYCLPCIQPG-UHFFFAOYSA-N 2 1 392.591 3.929 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnc(-c2ccccc2)n1 ZINC000431820349 836270230 /nfs/dbraw/zinc/27/02/30/836270230.db2.gz CEUZABIDLMDQFC-UHFFFAOYSA-N 2 1 393.579 3.776 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000414169275 836386270 /nfs/dbraw/zinc/38/62/70/836386270.db2.gz BAIDWSCWHMKJIM-CWBXHPNXSA-N 2 1 380.532 3.556 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000500863838 844167434 /nfs/dbraw/zinc/16/74/34/844167434.db2.gz HDXJYCLONBPQNW-MOPGFXCFSA-N 2 1 380.602 3.695 20 0 GHADMP C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000570205040 836535506 /nfs/dbraw/zinc/53/55/06/836535506.db2.gz WYKDXXLQSRXNKJ-JWTNVVGKSA-N 2 1 377.326 3.782 20 0 GHADMP C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000570205040 836535512 /nfs/dbraw/zinc/53/55/12/836535512.db2.gz WYKDXXLQSRXNKJ-JWTNVVGKSA-N 2 1 377.326 3.782 20 0 GHADMP C[NH+](CC1=Cc2cc(Br)ccc2OC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000570205040 836535520 /nfs/dbraw/zinc/53/55/20/836535520.db2.gz WYKDXXLQSRXNKJ-JWTNVVGKSA-N 2 1 377.326 3.782 20 0 GHADMP C[NH+](CC1=Cc2cc(Br)ccc2OC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000570205040 836535531 /nfs/dbraw/zinc/53/55/31/836535531.db2.gz WYKDXXLQSRXNKJ-JWTNVVGKSA-N 2 1 377.326 3.782 20 0 GHADMP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175198061 836701837 /nfs/dbraw/zinc/70/18/37/836701837.db2.gz SIVUKJRREYHMJW-HSZRJFAPSA-N 2 1 393.531 3.512 20 0 GHADMP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175198061 836701843 /nfs/dbraw/zinc/70/18/43/836701843.db2.gz SIVUKJRREYHMJW-HSZRJFAPSA-N 2 1 393.531 3.512 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175628736 836910546 /nfs/dbraw/zinc/91/05/46/836910546.db2.gz QSASQJBJXAPBBZ-PUHATCMVSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[N@H+](CCOc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510237486 836920747 /nfs/dbraw/zinc/92/07/47/836920747.db2.gz AAHUVXONVSVRMN-UHFFFAOYSA-N 2 1 386.515 3.992 20 0 GHADMP CCC[N@@H+](CCOc1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000510237486 836920757 /nfs/dbraw/zinc/92/07/57/836920757.db2.gz AAHUVXONVSVRMN-UHFFFAOYSA-N 2 1 386.515 3.992 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000511401431 837038361 /nfs/dbraw/zinc/03/83/61/837038361.db2.gz ZURGVLZJETWFKK-QIJUGHKUSA-N 2 1 394.003 3.813 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482263 837073770 /nfs/dbraw/zinc/07/37/70/837073770.db2.gz ACKLMGADEZKORT-QPPBQGQZSA-N 2 1 394.559 3.757 20 0 GHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482263 837073781 /nfs/dbraw/zinc/07/37/81/837073781.db2.gz ACKLMGADEZKORT-QPPBQGQZSA-N 2 1 394.559 3.757 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482263 837073790 /nfs/dbraw/zinc/07/37/90/837073790.db2.gz ACKLMGADEZKORT-QPPBQGQZSA-N 2 1 394.559 3.757 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482263 837073802 /nfs/dbraw/zinc/07/38/02/837073802.db2.gz ACKLMGADEZKORT-QPPBQGQZSA-N 2 1 394.559 3.757 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482263 837073814 /nfs/dbraw/zinc/07/38/14/837073814.db2.gz ACKLMGADEZKORT-QPPBQGQZSA-N 2 1 394.559 3.757 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000177358906 837920662 /nfs/dbraw/zinc/92/06/62/837920662.db2.gz JWCVVJOOSLSDBG-SLFFLAALSA-N 2 1 377.573 3.771 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431852564 838026535 /nfs/dbraw/zinc/02/65/35/838026535.db2.gz ANRLACYSLOLHDN-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431852564 838026548 /nfs/dbraw/zinc/02/65/48/838026548.db2.gz ANRLACYSLOLHDN-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431852564 838026559 /nfs/dbraw/zinc/02/65/59/838026559.db2.gz ANRLACYSLOLHDN-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP COc1cccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535680051 844286291 /nfs/dbraw/zinc/28/62/91/844286291.db2.gz IPTVMQQEQNLZIQ-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP COc1cccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535680051 844286298 /nfs/dbraw/zinc/28/62/98/844286298.db2.gz IPTVMQQEQNLZIQ-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613553049 838052369 /nfs/dbraw/zinc/05/23/69/838052369.db2.gz STGUZDWBMNJWTL-ROUUACIJSA-N 2 1 378.907 3.844 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCCC1)C2 ZINC000377942027 838182836 /nfs/dbraw/zinc/18/28/36/838182836.db2.gz LUECKMGWUOVUPU-XLIONFOSSA-N 2 1 380.536 3.534 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887360 838243477 /nfs/dbraw/zinc/24/34/77/838243477.db2.gz XDMMTJCMVANIAA-HXUWFJFHSA-N 2 1 392.547 3.708 20 0 GHADMP C[C@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659319665 838279277 /nfs/dbraw/zinc/27/92/77/838279277.db2.gz SRTKXEWKCDEIDE-NMNUPHIUSA-N 2 1 391.559 3.706 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)cc1)C(C)C ZINC000110165624 844311843 /nfs/dbraw/zinc/31/18/43/844311843.db2.gz QGTTWDQTGAPBRJ-HSZRJFAPSA-N 2 1 397.563 3.958 20 0 GHADMP C[C@@H](CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000415948748 838304281 /nfs/dbraw/zinc/30/42/81/838304281.db2.gz AKWRLLSOTZLFCQ-INIZCTEOSA-N 2 1 384.499 3.504 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000415962136 838320180 /nfs/dbraw/zinc/32/01/80/838320180.db2.gz WMOMBOILJUFIIY-WIYYLYMNSA-N 2 1 380.536 3.971 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000236601822 838349648 /nfs/dbraw/zinc/34/96/48/838349648.db2.gz UKXRLYGMCIXCNT-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000659466146 838423879 /nfs/dbraw/zinc/42/38/79/838423879.db2.gz FWVFJFQNBDMIEY-LAUBAEHRSA-N 2 1 395.551 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000376661537 838613340 /nfs/dbraw/zinc/61/33/40/838613340.db2.gz SRWMHEPCOIOVNN-LLGFUMIMSA-N 2 1 381.524 3.510 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405470 838691943 /nfs/dbraw/zinc/69/19/43/838691943.db2.gz SPHZRSZJQYKFCX-LAUBAEHRSA-N 2 1 375.532 3.540 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)C2)C1 ZINC000458132404 844367320 /nfs/dbraw/zinc/36/73/20/844367320.db2.gz KNUQRRMNEXVIKS-XMMPIXPASA-N 2 1 398.595 3.690 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000118879832 838753166 /nfs/dbraw/zinc/75/31/66/838753166.db2.gz VQYXKXJFWFKDSW-HNAYVOBHSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000473501174 844391803 /nfs/dbraw/zinc/39/18/03/844391803.db2.gz BEMDKWHJDSMAIZ-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644776 839059465 /nfs/dbraw/zinc/05/94/65/839059465.db2.gz KPTCOBUTOUAUQX-NRFANRHFSA-N 2 1 385.596 3.630 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OCCOc1ccccc1Cl ZINC000415025203 839077362 /nfs/dbraw/zinc/07/73/62/839077362.db2.gz ZSOJAXHHRUDLMJ-GJZGRUSLSA-N 2 1 378.900 3.632 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000549164834 839120368 /nfs/dbraw/zinc/12/03/68/839120368.db2.gz HVGUOAASDLHZBU-MRXNPFEDSA-N 2 1 376.438 3.794 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000549164834 839120373 /nfs/dbraw/zinc/12/03/73/839120373.db2.gz HVGUOAASDLHZBU-MRXNPFEDSA-N 2 1 376.438 3.794 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415055737 839138423 /nfs/dbraw/zinc/13/84/23/839138423.db2.gz RJDLPXJMDRUSAU-LEWJYISDSA-N 2 1 381.520 3.633 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309738907 839191816 /nfs/dbraw/zinc/19/18/16/839191816.db2.gz RIEMYZALXWLBPN-PWRODBHTSA-N 2 1 387.568 3.934 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415102579 839208438 /nfs/dbraw/zinc/20/84/38/839208438.db2.gz CMMGGFGCUXRCSR-PXNSSMCTSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415102579 839208447 /nfs/dbraw/zinc/20/84/47/839208447.db2.gz CMMGGFGCUXRCSR-PXNSSMCTSA-N 2 1 384.520 3.700 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000183688525 839354919 /nfs/dbraw/zinc/35/49/19/839354919.db2.gz IXWFXJCJRHUDBP-IIBYNOLFSA-N 2 1 376.460 3.857 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000613670659 839414263 /nfs/dbraw/zinc/41/42/63/839414263.db2.gz LMTXBOSADUISEX-DUXKGJEZSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000613670659 839414270 /nfs/dbraw/zinc/41/42/70/839414270.db2.gz LMTXBOSADUISEX-DUXKGJEZSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1ccsc1 ZINC000613670659 839414282 /nfs/dbraw/zinc/41/42/82/839414282.db2.gz LMTXBOSADUISEX-DUXKGJEZSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1ccsc1 ZINC000613670659 839414291 /nfs/dbraw/zinc/41/42/91/839414291.db2.gz LMTXBOSADUISEX-DUXKGJEZSA-N 2 1 383.561 3.664 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(-c2ccncc2)cc1F ZINC000377401284 839449324 /nfs/dbraw/zinc/44/93/24/839449324.db2.gz JTRMIBCEMVHRCF-UHFFFAOYSA-N 2 1 394.494 3.903 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000472764598 839491453 /nfs/dbraw/zinc/49/14/53/839491453.db2.gz OVAVRLNSGDUNQR-IBGZPJMESA-N 2 1 378.948 3.754 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125486000 839510424 /nfs/dbraw/zinc/51/04/24/839510424.db2.gz AWDRPDRTBHZNDV-MRXNPFEDSA-N 2 1 391.357 3.635 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000125486000 839510433 /nfs/dbraw/zinc/51/04/33/839510433.db2.gz AWDRPDRTBHZNDV-MRXNPFEDSA-N 2 1 391.357 3.635 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000471579819 839593011 /nfs/dbraw/zinc/59/30/11/839593011.db2.gz CHZVWPFWCJNQSB-WOJBJXKFSA-N 2 1 399.579 3.799 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@H](C)CCC[NH3+])cc1)C[C@@H]1CCCCO1 ZINC000415405140 839716705 /nfs/dbraw/zinc/71/67/05/839716705.db2.gz MPNTVOGRYDHBAK-NQIIRXRSSA-N 2 1 390.572 3.715 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCc3ccc(C[NH3+])cc3)cc2)C1 ZINC000580560531 839811718 /nfs/dbraw/zinc/81/17/18/839811718.db2.gz KEFFABFFCKWNLQ-KDURUIRLSA-N 2 1 394.563 3.623 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)s2)cc1C ZINC000656262597 839914637 /nfs/dbraw/zinc/91/46/37/839914637.db2.gz WZHYXNDSYXOSLI-UHFFFAOYSA-N 2 1 386.609 3.885 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+](C)CCN(C)C3CC[NH+](C)CC3)s2)cc1C ZINC000656262597 839914647 /nfs/dbraw/zinc/91/46/47/839914647.db2.gz WZHYXNDSYXOSLI-UHFFFAOYSA-N 2 1 386.609 3.885 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893017997 839942811 /nfs/dbraw/zinc/94/28/11/839942811.db2.gz AVKSBRWWNUDESN-LEWJYISDSA-N 2 1 388.483 3.635 20 0 GHADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000580705301 840029138 /nfs/dbraw/zinc/02/91/38/840029138.db2.gz SPQAEGHUUKLJTP-REWPJTCUSA-N 2 1 394.559 3.842 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1Cl ZINC000416860926 840228625 /nfs/dbraw/zinc/22/86/25/840228625.db2.gz WGZZJLRJFVOTIQ-FQEVSTJZSA-N 2 1 388.943 3.503 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416975893 840319915 /nfs/dbraw/zinc/31/99/15/840319915.db2.gz NIJQTEHIZUGFAI-KNQAVFIVSA-N 2 1 398.595 3.592 20 0 GHADMP CC[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000417009077 840364363 /nfs/dbraw/zinc/36/43/63/840364363.db2.gz JWURGYAMEXBNBF-DHIUTWEWSA-N 2 1 394.563 3.603 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)c1conc1C(C)(C)[NH3+])C1CCCCC1 ZINC000580962653 840524151 /nfs/dbraw/zinc/52/41/51/840524151.db2.gz RJHINFRNVNCQHE-UHFFFAOYSA-N 2 1 384.524 3.563 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417215692 840589413 /nfs/dbraw/zinc/58/94/13/840589413.db2.gz IVCIIPKWACSZLF-TYABSZSSSA-N 2 1 398.595 3.876 20 0 GHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001167442907 840604469 /nfs/dbraw/zinc/60/44/69/840604469.db2.gz JLDKBRZNJSQTAL-FGZHOGPDSA-N 2 1 379.633 3.852 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)sc1Br ZINC000511765588 840687725 /nfs/dbraw/zinc/68/77/25/840687725.db2.gz SZINRUUPOXNEJQ-UONOGXRCSA-N 2 1 375.376 3.971 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)sc1Br ZINC000511765588 840687729 /nfs/dbraw/zinc/68/77/29/840687729.db2.gz SZINRUUPOXNEJQ-UONOGXRCSA-N 2 1 375.376 3.971 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417314987 840714067 /nfs/dbraw/zinc/71/40/67/840714067.db2.gz RSAYJCDAAAUKMF-LRGNLBRXSA-N 2 1 397.588 3.727 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000473026335 840747310 /nfs/dbraw/zinc/74/73/10/840747310.db2.gz KCIAMSPOZWTNBU-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473026335 840747322 /nfs/dbraw/zinc/74/73/22/840747322.db2.gz KCIAMSPOZWTNBU-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473026335 840747333 /nfs/dbraw/zinc/74/73/33/840747333.db2.gz KCIAMSPOZWTNBU-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000194859276 840881317 /nfs/dbraw/zinc/88/13/17/840881317.db2.gz BHGAJTQKPWJELK-HSZRJFAPSA-N 2 1 379.548 3.610 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCOc3ccccc32)cc1 ZINC000584796224 840898680 /nfs/dbraw/zinc/89/86/80/840898680.db2.gz ZDGDPFLAYHQPTN-QGZVFWFLSA-N 2 1 390.487 3.647 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCCC1CC[NH2+]CC1)C1CCCCC1 ZINC000652136092 841026372 /nfs/dbraw/zinc/02/63/72/841026372.db2.gz FLYHPBGQMYLUNS-UHFFFAOYSA-N 2 1 386.584 3.640 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000276150825 841168727 /nfs/dbraw/zinc/16/87/27/841168727.db2.gz OYWJFZKMNRVIEO-IBGZPJMESA-N 2 1 381.358 3.991 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101467 844620768 /nfs/dbraw/zinc/62/07/68/844620768.db2.gz GOQBPYASSSXIAN-DNQXCXABSA-N 3 1 386.628 3.519 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(Cc2cccc(CN3CCC[C@@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101467 844620791 /nfs/dbraw/zinc/62/07/91/844620791.db2.gz GOQBPYASSSXIAN-DNQXCXABSA-N 2 1 386.628 3.519 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000060534972 841369541 /nfs/dbraw/zinc/36/95/41/841369541.db2.gz RCKGKAOYWQOKEU-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccc3c2CCC3)c1)C1CCOCC1 ZINC000651699371 841393660 /nfs/dbraw/zinc/39/36/60/841393660.db2.gz RPWYQWCYUDDWOK-UHFFFAOYSA-N 2 1 394.559 3.955 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000651712489 841422361 /nfs/dbraw/zinc/42/23/61/841422361.db2.gz HIFNLGXHJJURFV-UHFFFAOYSA-N 2 1 375.520 3.933 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000500100380 841435243 /nfs/dbraw/zinc/43/52/43/841435243.db2.gz SSESUWBXSJCRFZ-LJQANCHMSA-N 2 1 399.510 3.617 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000652287882 842148681 /nfs/dbraw/zinc/14/86/81/842148681.db2.gz LQQAEOSSLZBMPE-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP COc1ccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c(Br)c1 ZINC000512031879 842211142 /nfs/dbraw/zinc/21/11/42/842211142.db2.gz RVRYIEKARXWQAC-UHFFFAOYSA-N 2 1 390.325 3.920 20 0 GHADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000661856394 842244061 /nfs/dbraw/zinc/24/40/61/842244061.db2.gz SQJIYRUOHLTZEL-IBGZPJMESA-N 2 1 399.583 3.515 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000177979858 861291692 /nfs/dbraw/zinc/29/16/92/861291692.db2.gz QHAQYXLWBBNWTA-RDPSFJRHSA-N 2 1 380.580 3.922 20 0 GHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347908 842319738 /nfs/dbraw/zinc/31/97/38/842319738.db2.gz OIWGCDIJMOTMOS-KCMWZYNZSA-N 2 1 390.915 3.669 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000652347277 842324373 /nfs/dbraw/zinc/32/43/73/842324373.db2.gz XVFCMXSWLAWGKL-IMBTUZDBSA-N 2 1 393.959 3.502 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000652347277 842324386 /nfs/dbraw/zinc/32/43/86/842324386.db2.gz XVFCMXSWLAWGKL-IMBTUZDBSA-N 2 1 393.959 3.502 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000652347315 842325396 /nfs/dbraw/zinc/32/53/96/842325396.db2.gz YNUGXQVCRQIQPC-CGTJXYLNSA-N 2 1 375.900 3.713 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)C1 ZINC000652347312 842325529 /nfs/dbraw/zinc/32/55/29/842325529.db2.gz YGWWTBHGINOKNV-QZNHQXDQSA-N 2 1 393.531 3.657 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000652349104 842329131 /nfs/dbraw/zinc/32/91/31/842329131.db2.gz ALAAAEWJKNMFDT-TUNNFDKTSA-N 2 1 390.531 3.720 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623655650 861300494 /nfs/dbraw/zinc/30/04/94/861300494.db2.gz BCGUIOQKEUBTAY-MRXNPFEDSA-N 2 1 399.373 3.686 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655650 861300513 /nfs/dbraw/zinc/30/05/13/861300513.db2.gz BCGUIOQKEUBTAY-MRXNPFEDSA-N 2 1 399.373 3.686 20 0 GHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414809 842420253 /nfs/dbraw/zinc/42/02/53/842420253.db2.gz MHBFYJYIFSTVSK-GJZGRUSLSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414809 842420256 /nfs/dbraw/zinc/42/02/56/842420256.db2.gz MHBFYJYIFSTVSK-GJZGRUSLSA-N 2 1 387.337 3.610 20 0 GHADMP CCc1ncnc2c1CC[N@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001168044045 861329700 /nfs/dbraw/zinc/32/97/00/861329700.db2.gz CXUYOSJLBVEKGT-OALUTQOASA-N 2 1 378.564 3.881 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000673667005 861335007 /nfs/dbraw/zinc/33/50/07/861335007.db2.gz MLCQRAJLZNLFOC-RBUKOAKNSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000673667005 861335018 /nfs/dbraw/zinc/33/50/18/861335018.db2.gz MLCQRAJLZNLFOC-RBUKOAKNSA-N 2 1 397.485 3.689 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000471835686 842771156 /nfs/dbraw/zinc/77/11/56/842771156.db2.gz VXQKSGKGACZXDU-SIKLNZKXSA-N 2 1 390.531 3.550 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652611363 842836217 /nfs/dbraw/zinc/83/62/17/842836217.db2.gz GHYKJLLXOZYTAG-FGTMMUONSA-N 2 1 378.520 3.805 20 0 GHADMP CC(C)[C@@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000510540599 842930486 /nfs/dbraw/zinc/93/04/86/842930486.db2.gz PJNVQTDGQIXKHY-RZUBCFFCSA-N 2 1 392.632 3.695 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549588919 843006695 /nfs/dbraw/zinc/00/66/95/843006695.db2.gz LZXVTLYAUYMRBD-NRFANRHFSA-N 2 1 388.600 3.516 20 0 GHADMP O=C(Cc1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1)Nc1ccccc1 ZINC000662293086 843084568 /nfs/dbraw/zinc/08/45/68/843084568.db2.gz JPPJPHQABPCMLR-GOSISDBHSA-N 2 1 398.576 3.536 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CCC[NH3+] ZINC000662312728 843122822 /nfs/dbraw/zinc/12/28/22/843122822.db2.gz CLSDZZNBXUVDJJ-RHSMWYFYSA-N 2 1 382.346 3.617 20 0 GHADMP C(CC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3)C[NH+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662310158 843123972 /nfs/dbraw/zinc/12/39/72/843123972.db2.gz PQSITTLTMPSPAE-WAPCQROESA-N 2 1 388.596 3.552 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc4c3C[NH2+]C4)cc2)C1 ZINC000662386440 843182968 /nfs/dbraw/zinc/18/29/68/843182968.db2.gz IQXFSKSBSODJGV-HDICACEKSA-N 2 1 377.532 3.698 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCOc3ccc(F)cc3)CC2)CC1 ZINC000430929594 843194995 /nfs/dbraw/zinc/19/49/95/843194995.db2.gz PRHOEQOGGQHAFJ-UHFFFAOYSA-N 3 1 391.575 3.723 20 0 GHADMP C[N@H+](CCCOc1ccc(F)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430929594 843194998 /nfs/dbraw/zinc/19/49/98/843194998.db2.gz PRHOEQOGGQHAFJ-UHFFFAOYSA-N 3 1 391.575 3.723 20 0 GHADMP C[N@@H+](CCCOc1ccc(F)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430929594 843195007 /nfs/dbraw/zinc/19/50/07/843195007.db2.gz PRHOEQOGGQHAFJ-UHFFFAOYSA-N 3 1 391.575 3.723 20 0 GHADMP O[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188603998 843202548 /nfs/dbraw/zinc/20/25/48/843202548.db2.gz UWPMHGTWBORUHE-QUCCMNQESA-N 2 1 384.486 3.767 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512256863 843245049 /nfs/dbraw/zinc/24/50/49/843245049.db2.gz CIGNIMBEMJKHIT-OOICKAIWSA-N 2 1 383.580 3.762 20 0 GHADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512263218 843253108 /nfs/dbraw/zinc/25/31/08/843253108.db2.gz VPMYZQQRPDJGMF-DEOSSOPVSA-N 2 1 377.532 3.922 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512263218 843253121 /nfs/dbraw/zinc/25/31/21/843253121.db2.gz VPMYZQQRPDJGMF-DEOSSOPVSA-N 2 1 377.532 3.922 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512263218 843253125 /nfs/dbraw/zinc/25/31/25/843253125.db2.gz VPMYZQQRPDJGMF-DEOSSOPVSA-N 2 1 377.532 3.922 20 0 GHADMP Cc1ccsc1C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051233519 843262500 /nfs/dbraw/zinc/26/25/00/843262500.db2.gz BAXIZZDBLDFJHD-UHFFFAOYSA-N 2 1 385.577 3.578 20 0 GHADMP Cc1ccsc1C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051233519 843262505 /nfs/dbraw/zinc/26/25/05/843262505.db2.gz BAXIZZDBLDFJHD-UHFFFAOYSA-N 2 1 385.577 3.578 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000159337214 843313682 /nfs/dbraw/zinc/31/36/82/843313682.db2.gz REJZIISYJOGALT-UHFFFAOYSA-N 2 1 395.950 3.683 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503883 843349943 /nfs/dbraw/zinc/34/99/43/843349943.db2.gz XPQNUIUKCAKXGS-YFNKSVMNSA-N 2 1 389.543 3.734 20 0 GHADMP CCN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662501935 843354088 /nfs/dbraw/zinc/35/40/88/843354088.db2.gz HMZANAYPQDJVKY-JZWVFAODSA-N 2 1 377.532 3.905 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cccc(F)c1 ZINC000432672825 843405747 /nfs/dbraw/zinc/40/57/47/843405747.db2.gz VBWRXATVBBUYJX-IBGZPJMESA-N 2 1 387.524 3.860 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000431017571 843435087 /nfs/dbraw/zinc/43/50/87/843435087.db2.gz RFTYTONZGFAPAD-HMFYCAOWSA-N 2 1 381.520 3.682 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000302947306 861419810 /nfs/dbraw/zinc/41/98/10/861419810.db2.gz CBJIZBIWERWWLH-HSZRJFAPSA-N 2 1 394.563 3.515 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)c1 ZINC000662694907 843526151 /nfs/dbraw/zinc/52/61/51/843526151.db2.gz DCLVSSXFTDFOSF-QFIPXVFZSA-N 2 1 379.548 3.835 20 0 GHADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182341906 843529344 /nfs/dbraw/zinc/52/93/44/843529344.db2.gz VVNSHAXJVRPLBI-WPYKKVEZSA-N 2 1 398.595 3.776 20 0 GHADMP CC[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418681261 843529491 /nfs/dbraw/zinc/52/94/91/843529491.db2.gz VIKDLPFZUZHJBP-PKTZIBPZSA-N 2 1 394.563 3.773 20 0 GHADMP CCC[N@H+](CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431098517 843593125 /nfs/dbraw/zinc/59/31/25/843593125.db2.gz DJMGXNSYHDGLNH-UHFFFAOYSA-N 2 1 379.548 3.698 20 0 GHADMP CCC[N@@H+](CC(=O)N(C)C(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431098517 843593128 /nfs/dbraw/zinc/59/31/28/843593128.db2.gz DJMGXNSYHDGLNH-UHFFFAOYSA-N 2 1 379.548 3.698 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397636 843655753 /nfs/dbraw/zinc/65/57/53/843655753.db2.gz GXDZCFNAILBWLD-UNMCSNQZSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182409822 843737662 /nfs/dbraw/zinc/73/76/62/843737662.db2.gz DHGWXPGXHZEOCN-JSXRDJHFSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182409822 843737668 /nfs/dbraw/zinc/73/76/68/843737668.db2.gz DHGWXPGXHZEOCN-JSXRDJHFSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182409822 843737680 /nfs/dbraw/zinc/73/76/80/843737680.db2.gz DHGWXPGXHZEOCN-JSXRDJHFSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000500623633 843745408 /nfs/dbraw/zinc/74/54/08/843745408.db2.gz IDFWMDRWEZIBGB-LVEKEYPTSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000500623633 843745411 /nfs/dbraw/zinc/74/54/11/843745411.db2.gz IDFWMDRWEZIBGB-LVEKEYPTSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000500623633 843745417 /nfs/dbraw/zinc/74/54/17/843745417.db2.gz IDFWMDRWEZIBGB-LVEKEYPTSA-N 2 1 398.595 3.554 20 0 GHADMP COc1cccc(CCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512438611 843807722 /nfs/dbraw/zinc/80/77/22/843807722.db2.gz HTXWDPFODAMUPG-XMMPIXPASA-N 2 1 393.575 3.520 20 0 GHADMP CCc1cccc(OCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512443456 843817888 /nfs/dbraw/zinc/81/78/88/843817888.db2.gz CIHQJYUUBFQBMX-XMMPIXPASA-N 2 1 393.575 3.520 20 0 GHADMP CCc1cccc(OCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512443456 843817903 /nfs/dbraw/zinc/81/79/03/843817903.db2.gz CIHQJYUUBFQBMX-XMMPIXPASA-N 2 1 393.575 3.520 20 0 GHADMP FC(F)(F)Cc1noc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433211793 843861850 /nfs/dbraw/zinc/86/18/50/843861850.db2.gz BTZXSVNDAFVNGX-UHFFFAOYSA-N 2 1 394.441 3.663 20 0 GHADMP FC(F)(F)Cc1noc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433211793 843861859 /nfs/dbraw/zinc/86/18/59/843861859.db2.gz BTZXSVNDAFVNGX-UHFFFAOYSA-N 2 1 394.441 3.663 20 0 GHADMP CC(C)CSCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512474334 843936954 /nfs/dbraw/zinc/93/69/54/843936954.db2.gz JJFYDFXXMHVHAZ-JOCHJYFZSA-N 2 1 375.626 3.658 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000474939730 861501499 /nfs/dbraw/zinc/50/14/99/861501499.db2.gz CFLDOFVZZLIVCP-HMFYCAOWSA-N 2 1 398.547 3.552 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCCc1ccccc1 ZINC000052802880 844833493 /nfs/dbraw/zinc/83/34/93/844833493.db2.gz KDHONFCXHKIXNK-NRFANRHFSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](Cc3ccccc3)[C@H](O)C(F)F)CC2)C1 ZINC000513204491 845046136 /nfs/dbraw/zinc/04/61/36/845046136.db2.gz RVHJNJKBVKWRLP-SEVLPDGMSA-N 2 1 380.523 3.856 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458839453 845069620 /nfs/dbraw/zinc/06/96/20/845069620.db2.gz CZZPAQSLROJCBY-OAQYLSRUSA-N 2 1 392.632 3.939 20 0 GHADMP CC(C)CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000509924177 845098238 /nfs/dbraw/zinc/09/82/38/845098238.db2.gz LAGDJATWEOOXIT-FQEVSTJZSA-N 2 1 389.559 3.617 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000051853045 845383682 /nfs/dbraw/zinc/38/36/82/845383682.db2.gz WNOAWRVBBYTQML-JOCHJYFZSA-N 2 1 397.588 3.974 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000051853045 845383730 /nfs/dbraw/zinc/38/37/30/845383730.db2.gz WNOAWRVBBYTQML-JOCHJYFZSA-N 2 1 397.588 3.974 20 0 GHADMP C[N@H+](CCc1nc(-c2ccccc2)no1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393611 861562655 /nfs/dbraw/zinc/56/26/55/861562655.db2.gz MKCLHTWBHXRAKO-UHFFFAOYSA-N 2 1 391.519 3.913 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000419258147 845570782 /nfs/dbraw/zinc/57/07/82/845570782.db2.gz BBFXNYUMWDBHBR-ZWKOTPCHSA-N 2 1 383.580 3.738 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000511014195 845577527 /nfs/dbraw/zinc/57/75/27/845577527.db2.gz RJWCKQSIUNBGDK-XMMPIXPASA-N 2 1 392.591 3.936 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000511014195 845577530 /nfs/dbraw/zinc/57/75/30/845577530.db2.gz RJWCKQSIUNBGDK-XMMPIXPASA-N 2 1 392.591 3.936 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000511020278 845638781 /nfs/dbraw/zinc/63/87/81/845638781.db2.gz XWPSTYNJMXELDT-PMACEKPBSA-N 2 1 379.548 3.713 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)c2cccs2)CC1 ZINC000657286811 845692009 /nfs/dbraw/zinc/69/20/09/845692009.db2.gz RURUBSIWYGZMHC-INIZCTEOSA-N 2 1 399.482 3.567 20 0 GHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167533939 846088253 /nfs/dbraw/zinc/08/82/53/846088253.db2.gz OIZUJKCUBRHENV-VOQZNFBZSA-N 2 1 383.511 3.628 20 0 GHADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167533939 846088258 /nfs/dbraw/zinc/08/82/58/846088258.db2.gz OIZUJKCUBRHENV-VOQZNFBZSA-N 2 1 383.511 3.628 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(-n2cccn2)cc1 ZINC000481542704 861639880 /nfs/dbraw/zinc/63/98/80/861639880.db2.gz KCWXGVOLQKJUOZ-WOJBJXKFSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(-n2cccn2)cc1 ZINC000481542704 861639886 /nfs/dbraw/zinc/63/98/86/861639886.db2.gz KCWXGVOLQKJUOZ-WOJBJXKFSA-N 2 1 390.531 3.944 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000513636729 846177981 /nfs/dbraw/zinc/17/79/81/846177981.db2.gz BJHNGEJKAGBVQQ-QHCPKHFHSA-N 2 1 393.575 3.964 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000513636729 846177985 /nfs/dbraw/zinc/17/79/85/846177985.db2.gz BJHNGEJKAGBVQQ-QHCPKHFHSA-N 2 1 393.575 3.964 20 0 GHADMP NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513684006 846239799 /nfs/dbraw/zinc/23/97/99/846239799.db2.gz OBNHXNSVOBELAK-DNVJHFABSA-N 2 1 377.532 3.566 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)OCCO2 ZINC000892184951 846329511 /nfs/dbraw/zinc/32/95/11/846329511.db2.gz BPRRHJDKKNFXNX-NHCUHLMSSA-N 2 1 388.527 3.608 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC000657354143 846473184 /nfs/dbraw/zinc/47/31/84/846473184.db2.gz QSOZGJPCCATUKL-VWNXMTODSA-N 2 1 380.532 3.509 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000502838331 846533193 /nfs/dbraw/zinc/53/31/93/846533193.db2.gz DAHBWOLNBJZVRP-MOPGFXCFSA-N 2 1 392.613 3.839 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000501078573 846620802 /nfs/dbraw/zinc/62/08/02/846620802.db2.gz KKITZXGDOJFMOV-OAQYLSRUSA-N 2 1 398.938 3.689 20 0 GHADMP C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501084309 846627915 /nfs/dbraw/zinc/62/79/15/846627915.db2.gz FHAFCMNXFGPJIQ-VQTJNVASSA-N 2 1 394.563 3.538 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000502966208 846671151 /nfs/dbraw/zinc/67/11/51/846671151.db2.gz GRWVCVQQNGUAST-VQTJNVASSA-N 2 1 396.579 3.936 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000582232054 846684467 /nfs/dbraw/zinc/68/44/67/846684467.db2.gz CUSBIUUIIANKPZ-KVSKMBFKSA-N 2 1 393.959 3.502 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@@H+]1C ZINC000389226840 861715828 /nfs/dbraw/zinc/71/58/28/861715828.db2.gz WOSRDFQRRPYIML-CMPLNLGQSA-N 2 1 381.236 3.920 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@H+]1C ZINC000389226840 861715833 /nfs/dbraw/zinc/71/58/33/861715833.db2.gz WOSRDFQRRPYIML-CMPLNLGQSA-N 2 1 381.236 3.920 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000503112634 846823232 /nfs/dbraw/zinc/82/32/32/846823232.db2.gz RSDYZJOYYGLJCJ-KNQAVFIVSA-N 2 1 394.563 3.690 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000582319247 846859456 /nfs/dbraw/zinc/85/94/56/846859456.db2.gz MGSXXFUXYISODN-SFYKDHMMSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000582319247 846859461 /nfs/dbraw/zinc/85/94/61/846859461.db2.gz MGSXXFUXYISODN-SFYKDHMMSA-N 2 1 375.520 3.829 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)NCc3cccc4ccccc43)CC2)CC1 ZINC000422166326 846864643 /nfs/dbraw/zinc/86/46/43/846864643.db2.gz YCLFZXZOTICBLQ-UHFFFAOYSA-N 2 1 394.563 3.541 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000125039017 847096766 /nfs/dbraw/zinc/09/67/66/847096766.db2.gz YVSOBVQQYZFZNQ-ROUUACIJSA-N 2 1 376.508 3.539 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000420296908 847098836 /nfs/dbraw/zinc/09/88/36/847098836.db2.gz CONSBVWZHQXGIS-LJQANCHMSA-N 2 1 396.510 3.831 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501751814 847156612 /nfs/dbraw/zinc/15/66/12/847156612.db2.gz MLCVMSJORIUFRL-LJQANCHMSA-N 2 1 399.501 3.860 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000420399869 847160214 /nfs/dbraw/zinc/16/02/14/847160214.db2.gz IIKMQIQXWURZTJ-QIIPPGSGSA-N 2 1 384.351 3.574 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000420399869 847160221 /nfs/dbraw/zinc/16/02/21/847160221.db2.gz IIKMQIQXWURZTJ-QIIPPGSGSA-N 2 1 384.351 3.574 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000501784633 847182732 /nfs/dbraw/zinc/18/27/32/847182732.db2.gz ILGGGSBVCMJOCY-UHFFFAOYSA-N 2 1 386.565 3.802 20 0 GHADMP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000511126645 847255282 /nfs/dbraw/zinc/25/52/82/847255282.db2.gz ZUSBROQAWCQWNN-HSZRJFAPSA-N 2 1 391.559 3.604 20 0 GHADMP CC(C)(CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000511126645 847255294 /nfs/dbraw/zinc/25/52/94/847255294.db2.gz ZUSBROQAWCQWNN-HSZRJFAPSA-N 2 1 391.559 3.604 20 0 GHADMP CC(C)(CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000511126645 847255302 /nfs/dbraw/zinc/25/53/02/847255302.db2.gz ZUSBROQAWCQWNN-HSZRJFAPSA-N 2 1 391.559 3.604 20 0 GHADMP C[N@@H+]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000501851068 847256461 /nfs/dbraw/zinc/25/64/61/847256461.db2.gz MRDXEZXWZBZNGL-PKTZIBPZSA-N 2 1 392.547 3.522 20 0 GHADMP C[N@H+]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000501851068 847256470 /nfs/dbraw/zinc/25/64/70/847256470.db2.gz MRDXEZXWZBZNGL-PKTZIBPZSA-N 2 1 392.547 3.522 20 0 GHADMP Cc1cccc(C)c1OCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000431414296 847261539 /nfs/dbraw/zinc/26/15/39/847261539.db2.gz LXPMXHDJJIYMTD-UHFFFAOYSA-N 2 1 387.612 3.810 20 0 GHADMP Cc1cccc(C)c1OCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431414296 847261550 /nfs/dbraw/zinc/26/15/50/847261550.db2.gz LXPMXHDJJIYMTD-UHFFFAOYSA-N 3 1 387.612 3.810 20 0 GHADMP Cc1cccc(C)c1OCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431414296 847261559 /nfs/dbraw/zinc/26/15/59/847261559.db2.gz LXPMXHDJJIYMTD-UHFFFAOYSA-N 3 1 387.612 3.810 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000420913894 847519933 /nfs/dbraw/zinc/51/99/33/847519933.db2.gz BLXYXKACYMJBKI-GOSISDBHSA-N 2 1 384.520 3.777 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502152804 847524935 /nfs/dbraw/zinc/52/49/35/847524935.db2.gz JBLIBCDMYQLKSL-ZJSXRUAMSA-N 2 1 398.595 3.559 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503335215 847600781 /nfs/dbraw/zinc/60/07/81/847600781.db2.gz IPRPFCHPJWTILJ-NBHGPNQESA-N 2 1 395.950 3.995 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503335215 847600788 /nfs/dbraw/zinc/60/07/88/847600788.db2.gz IPRPFCHPJWTILJ-NBHGPNQESA-N 2 1 395.950 3.995 20 0 GHADMP CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503335215 847600791 /nfs/dbraw/zinc/60/07/91/847600791.db2.gz IPRPFCHPJWTILJ-NBHGPNQESA-N 2 1 395.950 3.995 20 0 GHADMP CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503335215 847600795 /nfs/dbraw/zinc/60/07/95/847600795.db2.gz IPRPFCHPJWTILJ-NBHGPNQESA-N 2 1 395.950 3.995 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC000503391069 847648949 /nfs/dbraw/zinc/64/89/49/847648949.db2.gz UXMQWPMSCRGUAV-OAQYLSRUSA-N 2 1 392.632 3.795 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000560250808 847662449 /nfs/dbraw/zinc/66/24/49/847662449.db2.gz YZQUISLVKUUKCQ-NTUVXCKYSA-N 2 1 380.532 3.809 20 0 GHADMP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000502323539 847736918 /nfs/dbraw/zinc/73/69/18/847736918.db2.gz WKIGXMSLFPJLGB-QGZVFWFLSA-N 2 1 379.483 3.924 20 0 GHADMP Fc1ccc(-n2nccc2C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000502323538 847737074 /nfs/dbraw/zinc/73/70/74/847737074.db2.gz WKIGXMSLFPJLGB-KRWDZBQOSA-N 2 1 379.483 3.924 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726806 847799885 /nfs/dbraw/zinc/79/98/85/847799885.db2.gz AMWJUUQNTTZCNI-WXFUMESZSA-N 3 1 385.596 3.698 20 0 GHADMP C[N@H+](Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726806 847799896 /nfs/dbraw/zinc/79/98/96/847799896.db2.gz AMWJUUQNTTZCNI-WXFUMESZSA-N 2 1 385.596 3.698 20 0 GHADMP C[N@@H+](Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726806 847799904 /nfs/dbraw/zinc/79/99/04/847799904.db2.gz AMWJUUQNTTZCNI-WXFUMESZSA-N 2 1 385.596 3.698 20 0 GHADMP O=C(C[N@H+]1CC[C@H](c2ccccc2F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000503653416 847874277 /nfs/dbraw/zinc/87/42/77/847874277.db2.gz DKEIPRZJEOZIID-NRFANRHFSA-N 2 1 395.522 3.527 20 0 GHADMP O=C(C[N@@H+]1CC[C@H](c2ccccc2F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000503653416 847874282 /nfs/dbraw/zinc/87/42/82/847874282.db2.gz DKEIPRZJEOZIID-NRFANRHFSA-N 2 1 395.522 3.527 20 0 GHADMP Fc1cccc(OC(F)F)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422924569 847891728 /nfs/dbraw/zinc/89/17/28/847891728.db2.gz ZAOUUQPQMDELBF-OXQOHEQNSA-N 2 1 378.394 3.773 20 0 GHADMP CCOC(=O)C1([C@@H](C)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]CC1 ZINC000422921386 847903075 /nfs/dbraw/zinc/90/30/75/847903075.db2.gz OAZPZFRKYHNNIA-RBUKOAKNSA-N 2 1 387.568 3.794 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(-c4cccs4)n3)cc2)C1 ZINC000657595341 848288021 /nfs/dbraw/zinc/28/80/21/848288021.db2.gz PGBDHCYUINNFDP-SFHVURJKSA-N 2 1 385.558 3.728 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(-c4cccs4)n3)cc2)C1 ZINC000657595341 848288027 /nfs/dbraw/zinc/28/80/27/848288027.db2.gz PGBDHCYUINNFDP-SFHVURJKSA-N 2 1 385.558 3.728 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cc2)C1 ZINC000657596220 848289769 /nfs/dbraw/zinc/28/97/69/848289769.db2.gz MNFQOBJXMJIYBA-HXUWFJFHSA-N 2 1 378.472 3.928 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Oc4ccccc4)o3)cc2)C1 ZINC000657596220 848289777 /nfs/dbraw/zinc/28/97/77/848289777.db2.gz MNFQOBJXMJIYBA-HXUWFJFHSA-N 2 1 378.472 3.928 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3OC(F)F)cc2)C1 ZINC000657595557 848291890 /nfs/dbraw/zinc/29/18/90/848291890.db2.gz QUSMIROEVQQSAZ-GOSISDBHSA-N 2 1 396.865 3.798 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)CC1 ZINC001167646562 848849066 /nfs/dbraw/zinc/84/90/66/848849066.db2.gz DUOUBXDRAUKEIJ-JOCHJYFZSA-N 2 1 397.950 3.604 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)CC1 ZINC001167646562 848849075 /nfs/dbraw/zinc/84/90/75/848849075.db2.gz DUOUBXDRAUKEIJ-JOCHJYFZSA-N 2 1 397.950 3.604 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-n4ccnc4)cc3)CC2)nc(C)[nH+]1 ZINC000162287009 848888489 /nfs/dbraw/zinc/88/84/89/848888489.db2.gz OVXAXBMJXRLAFB-KRWDZBQOSA-N 2 1 376.508 3.599 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000583193009 849300320 /nfs/dbraw/zinc/30/03/20/849300320.db2.gz KOLPVGJGRZVZMC-BAGYTPMASA-N 2 1 398.595 3.638 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CC2)oc1C ZINC000162760130 849437759 /nfs/dbraw/zinc/43/77/59/849437759.db2.gz JHQJBDSJRSXHOD-RKOGDMNLSA-N 2 1 389.565 3.592 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278209611 849659430 /nfs/dbraw/zinc/65/94/30/849659430.db2.gz DDAWMPDKKKPPPG-UHFFFAOYSA-N 2 1 383.414 3.776 20 0 GHADMP O=c1ccccn1C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000503926893 849766368 /nfs/dbraw/zinc/76/63/68/849766368.db2.gz HWBMAKJQUJALHZ-QHCPKHFHSA-N 2 1 379.548 3.976 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504038980 849850160 /nfs/dbraw/zinc/85/01/60/849850160.db2.gz FKBCTADHTPNMIZ-AGHHOFFYSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504038980 849850165 /nfs/dbraw/zinc/85/01/65/849850165.db2.gz FKBCTADHTPNMIZ-AGHHOFFYSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504038980 849850168 /nfs/dbraw/zinc/85/01/68/849850168.db2.gz FKBCTADHTPNMIZ-AGHHOFFYSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504038980 849850172 /nfs/dbraw/zinc/85/01/72/849850172.db2.gz FKBCTADHTPNMIZ-AGHHOFFYSA-N 2 1 393.522 3.869 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CC[NH2+][C@H](C)C3)s2)cc1OC ZINC000423394756 849898560 /nfs/dbraw/zinc/89/85/60/849898560.db2.gz SHHQSEUSWSRRQU-KEYYUXOJSA-N 2 1 389.565 3.851 20 0 GHADMP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]C2CCC([NH+]4CCNCC4)CC2)CCC3)cc1 ZINC000423501918 849944528 /nfs/dbraw/zinc/94/45/28/849944528.db2.gz DKTNHMPLBVJJLX-MHJFOBGBSA-N 2 1 396.604 3.994 20 0 GHADMP Clc1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423508423 849948839 /nfs/dbraw/zinc/94/88/39/849948839.db2.gz LEWMSAIIQLZPJO-ZXDFIECXSA-N 2 1 375.988 3.857 20 0 GHADMP FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423490499 849952789 /nfs/dbraw/zinc/95/27/89/849952789.db2.gz YZKFZBYFVNXIER-DOIPELPJSA-N 3 1 377.523 3.512 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423490499 849952793 /nfs/dbraw/zinc/95/27/93/849952793.db2.gz YZKFZBYFVNXIER-DOIPELPJSA-N 3 1 377.523 3.512 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423490499 849952797 /nfs/dbraw/zinc/95/27/97/849952797.db2.gz YZKFZBYFVNXIER-DOIPELPJSA-N 3 1 377.523 3.512 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2I)CC[NH2+]1 ZINC000414748172 849955266 /nfs/dbraw/zinc/95/52/66/849955266.db2.gz WDNVMPYITHSQLM-KEYYUXOJSA-N 2 1 384.305 3.816 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423509030 849960600 /nfs/dbraw/zinc/96/06/00/849960600.db2.gz LDFHIANXIOQYNX-UHYCVJNDSA-N 2 1 377.960 3.668 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000282437052 849996067 /nfs/dbraw/zinc/99/60/67/849996067.db2.gz MUFNEFKNWMHUKG-UEVCKROQSA-N 2 1 392.547 3.936 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000282437052 849996071 /nfs/dbraw/zinc/99/60/71/849996071.db2.gz MUFNEFKNWMHUKG-UEVCKROQSA-N 2 1 392.547 3.936 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423835497 850069660 /nfs/dbraw/zinc/06/96/60/850069660.db2.gz VKAVBXNTYULAML-ZLXGRDSLSA-N 2 1 389.902 3.922 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000423958333 850123228 /nfs/dbraw/zinc/12/32/28/850123228.db2.gz BAIGZCLBRBTRKF-RPWUZVMVSA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c2ccccc21 ZINC000426446381 850204029 /nfs/dbraw/zinc/20/40/29/850204029.db2.gz WXYXGBNMNWFCSF-CVDCTZTESA-N 2 1 385.596 3.788 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c2cccs2)cc1 ZINC000424283123 850353445 /nfs/dbraw/zinc/35/34/45/850353445.db2.gz ATBSEQCYPZVLRD-GCJKJVERSA-N 2 1 397.588 3.726 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)n1 ZINC000435374895 850424386 /nfs/dbraw/zinc/42/43/86/850424386.db2.gz SCQICTJSNRSFNI-UHFFFAOYSA-N 2 1 378.442 3.855 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCCOc1ccccc1Cl ZINC000435375318 850424407 /nfs/dbraw/zinc/42/44/07/850424407.db2.gz LXFSKJWUEHWMPW-KRWDZBQOSA-N 2 1 390.911 3.587 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCCOc1ccccc1Cl ZINC000435375318 850424412 /nfs/dbraw/zinc/42/44/12/850424412.db2.gz LXFSKJWUEHWMPW-KRWDZBQOSA-N 2 1 390.911 3.587 20 0 GHADMP COc1cc2c(cc1C[NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)O[C@@H](C)C2 ZINC000518979079 850448177 /nfs/dbraw/zinc/44/81/77/850448177.db2.gz SXECPUPIGZWXEK-HNNXBMFYSA-N 2 1 399.535 3.625 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](F)C1 ZINC001167965327 850490976 /nfs/dbraw/zinc/49/09/76/850490976.db2.gz BERDOKSGGZMCFZ-BGVWBIDGSA-N 2 1 395.563 3.577 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1OCC[NH+](C)C ZINC000481720215 862152253 /nfs/dbraw/zinc/15/22/53/862152253.db2.gz FJEUEABXWZONKU-NFBKMPQASA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720215 862152259 /nfs/dbraw/zinc/15/22/59/862152259.db2.gz FJEUEABXWZONKU-NFBKMPQASA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720215 862152266 /nfs/dbraw/zinc/15/22/66/862152266.db2.gz FJEUEABXWZONKU-NFBKMPQASA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720215 862152270 /nfs/dbraw/zinc/15/22/70/862152270.db2.gz FJEUEABXWZONKU-NFBKMPQASA-N 2 1 381.564 3.627 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC(F)(F)C1 ZINC001167965907 850702740 /nfs/dbraw/zinc/70/27/40/850702740.db2.gz PUDYGWZTPIQSJA-KCBNDJSGSA-N 2 1 399.526 3.626 20 0 GHADMP c1csc(C[N@@H+](CCCOCCc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435699012 850780314 /nfs/dbraw/zinc/78/03/14/850780314.db2.gz YATOZRFXYJDMDH-HXUWFJFHSA-N 2 1 385.577 3.737 20 0 GHADMP c1csc(C[N@H+](CCCOCCc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435699012 850780317 /nfs/dbraw/zinc/78/03/17/850780317.db2.gz YATOZRFXYJDMDH-HXUWFJFHSA-N 2 1 385.577 3.737 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000415015813 851152533 /nfs/dbraw/zinc/15/25/33/851152533.db2.gz NFYGMSPDACQZPU-UONOGXRCSA-N 2 1 393.325 3.862 20 0 GHADMP CC(C)C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000514134485 851273637 /nfs/dbraw/zinc/27/36/37/851273637.db2.gz MZQXKZDOGCEIQL-GOSISDBHSA-N 2 1 385.474 3.546 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000894480248 851443941 /nfs/dbraw/zinc/44/39/41/851443941.db2.gz WYILNKKWLABGNJ-MRXNPFEDSA-N 2 1 394.357 3.571 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167969868 851448541 /nfs/dbraw/zinc/44/85/41/851448541.db2.gz GYKZMGZBPBGNJU-FVJUQLFYSA-N 2 1 389.584 3.912 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000488406824 851460259 /nfs/dbraw/zinc/46/02/59/851460259.db2.gz OFVLGMZOCHPNGS-UHFFFAOYSA-N 2 1 396.373 3.750 20 0 GHADMP COc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000048816572 851498291 /nfs/dbraw/zinc/49/82/91/851498291.db2.gz HGVHBIZUDMCCPU-HDICACEKSA-N 2 1 384.520 3.603 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000111231380 851576140 /nfs/dbraw/zinc/57/61/40/851576140.db2.gz RXINIBLWQYHWOS-LJQANCHMSA-N 2 1 399.501 3.576 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000111231380 851576147 /nfs/dbraw/zinc/57/61/47/851576147.db2.gz RXINIBLWQYHWOS-LJQANCHMSA-N 2 1 399.501 3.576 20 0 GHADMP CC1(C)CN(CCOCC[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@@H]1c1cccnc1 ZINC000664825031 851597483 /nfs/dbraw/zinc/59/74/83/851597483.db2.gz ZSRYVKPPTBXYCP-FGZHOGPDSA-N 2 1 394.563 3.959 20 0 GHADMP CC1(C)CN(CCOCC[N@H+]2CC(C)(C)[C@H]2c2cccnc2)[C@@H]1c1cccnc1 ZINC000664825031 851597486 /nfs/dbraw/zinc/59/74/86/851597486.db2.gz ZSRYVKPPTBXYCP-FGZHOGPDSA-N 2 1 394.563 3.959 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000505822736 851629883 /nfs/dbraw/zinc/62/98/83/851629883.db2.gz CDUDCKMUYCJHCA-IBGZPJMESA-N 2 1 387.499 3.574 20 0 GHADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001167973399 851658480 /nfs/dbraw/zinc/65/84/80/851658480.db2.gz JHZLIVNQJUBHAN-PANBIXPWSA-N 2 1 377.573 3.769 20 0 GHADMP CC1(COc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)cc2F)COC1 ZINC001167977204 851913589 /nfs/dbraw/zinc/91/35/89/851913589.db2.gz ANFQCGMJYRIRFA-IHWFROFDSA-N 2 1 388.527 3.736 20 0 GHADMP CC1(COc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)cc2F)COC1 ZINC001167977204 851913596 /nfs/dbraw/zinc/91/35/96/851913596.db2.gz ANFQCGMJYRIRFA-IHWFROFDSA-N 2 1 388.527 3.736 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)c1ccccc1 ZINC001167979250 851936111 /nfs/dbraw/zinc/93/61/11/851936111.db2.gz YGYSZSHIUYSVQA-CKSHBVQHSA-N 2 1 381.564 3.723 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000489068390 851982609 /nfs/dbraw/zinc/98/26/09/851982609.db2.gz HQICDKUJKLDLFD-XFGYDDDFSA-N 2 1 398.595 3.584 20 0 GHADMP Cc1ccccc1OCCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000517502214 852038045 /nfs/dbraw/zinc/03/80/45/852038045.db2.gz VRIRDEJUWCKVCS-UHFFFAOYSA-N 2 1 381.564 3.514 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438132146 852054490 /nfs/dbraw/zinc/05/44/90/852054490.db2.gz YZGQXHAROWOQRH-ZCYQVOJMSA-N 2 1 397.607 3.763 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438132139 852054865 /nfs/dbraw/zinc/05/48/65/852054865.db2.gz YZGQXHAROWOQRH-ILBGXUMGSA-N 2 1 397.607 3.763 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000517540599 852070138 /nfs/dbraw/zinc/07/01/38/852070138.db2.gz GCORIIQIDXETMG-REWPJTCUSA-N 2 1 394.563 3.595 20 0 GHADMP CC[N@@H+](CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000489200420 852108672 /nfs/dbraw/zinc/10/86/72/852108672.db2.gz WWBQATUSFWTJQE-UZLBHIALSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000489200420 852108684 /nfs/dbraw/zinc/10/86/84/852108684.db2.gz WWBQATUSFWTJQE-UZLBHIALSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000489200420 852108693 /nfs/dbraw/zinc/10/86/93/852108693.db2.gz WWBQATUSFWTJQE-UZLBHIALSA-N 2 1 397.485 3.689 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516151503 852215013 /nfs/dbraw/zinc/21/50/13/852215013.db2.gz LRPWCWLKXLOBFS-FGZHOGPDSA-N 2 1 395.547 3.835 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2)ncn1 ZINC000180775700 862332982 /nfs/dbraw/zinc/33/29/82/862332982.db2.gz GHWDSNGYDYFYMW-UWJYYQICSA-N 2 1 390.535 3.853 20 0 GHADMP COc1ccsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550270200 852230660 /nfs/dbraw/zinc/23/06/60/852230660.db2.gz IVZXRLYGAOWFKW-LJQANCHMSA-N 2 1 386.561 3.775 20 0 GHADMP c1c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000261949822 852232187 /nfs/dbraw/zinc/23/21/87/852232187.db2.gz FTMNTHZPCZHVAG-UHFFFAOYSA-N 2 1 387.531 3.569 20 0 GHADMP CCOc1c(Br)cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC ZINC000506864380 852266243 /nfs/dbraw/zinc/26/62/43/852266243.db2.gz AFLXIWXTJCXSDG-UHFFFAOYSA-N 2 1 385.346 3.630 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000489436167 852337758 /nfs/dbraw/zinc/33/77/58/852337758.db2.gz LUQLSJXWWWOAEC-XXBNENTESA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000506948983 852374436 /nfs/dbraw/zinc/37/44/36/852374436.db2.gz HOIYIKUUNUDREO-NJYVYQBISA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000506948983 852374447 /nfs/dbraw/zinc/37/44/47/852374447.db2.gz HOIYIKUUNUDREO-NJYVYQBISA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000506948983 852374456 /nfs/dbraw/zinc/37/44/56/852374456.db2.gz HOIYIKUUNUDREO-NJYVYQBISA-N 2 1 392.632 3.793 20 0 GHADMP CN(CC[N@H+](C)Cc1ccc(-c2c(F)cccc2F)o1)C1CC[NH+](C)CC1 ZINC000516347784 852452517 /nfs/dbraw/zinc/45/25/17/852452517.db2.gz HLDMDYBGEBRHTA-UHFFFAOYSA-N 2 1 377.479 3.683 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(-c2c(F)cccc2F)o1)C1CC[NH+](C)CC1 ZINC000516347784 852452523 /nfs/dbraw/zinc/45/25/23/852452523.db2.gz HLDMDYBGEBRHTA-UHFFFAOYSA-N 2 1 377.479 3.683 20 0 GHADMP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489635220 852500620 /nfs/dbraw/zinc/50/06/20/852500620.db2.gz PVQRSSSEDFATQC-OAQYLSRUSA-N 2 1 393.575 3.844 20 0 GHADMP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000489637410 852501296 /nfs/dbraw/zinc/50/12/96/852501296.db2.gz WWBSDGIGXAIRJF-NRFANRHFSA-N 2 1 393.575 3.844 20 0 GHADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000489861317 852614093 /nfs/dbraw/zinc/61/40/93/852614093.db2.gz VIFWCJYOMDLADD-MAUKXSAKSA-N 2 1 384.351 3.860 20 0 GHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000489861317 852614097 /nfs/dbraw/zinc/61/40/97/852614097.db2.gz VIFWCJYOMDLADD-MAUKXSAKSA-N 2 1 384.351 3.860 20 0 GHADMP C[C@H]1[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000489956786 852672152 /nfs/dbraw/zinc/67/21/52/852672152.db2.gz NPDQEFMFEUFHNJ-OFVILXPXSA-N 2 1 377.576 3.946 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984788 852678629 /nfs/dbraw/zinc/67/86/29/852678629.db2.gz RNPKTSYZICPXHD-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167984788 852678636 /nfs/dbraw/zinc/67/86/36/852678636.db2.gz RNPKTSYZICPXHD-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984788 852678640 /nfs/dbraw/zinc/67/86/40/852678640.db2.gz RNPKTSYZICPXHD-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167984788 852678647 /nfs/dbraw/zinc/67/86/47/852678647.db2.gz RNPKTSYZICPXHD-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(Cl)ccc1Cl ZINC000507248490 852706381 /nfs/dbraw/zinc/70/63/81/852706381.db2.gz VVCAOPUNYHYASU-OHRKKDJYSA-N 2 1 384.351 3.728 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)COc1ccc(Cl)cc1 ZINC000516563079 852727695 /nfs/dbraw/zinc/72/76/95/852727695.db2.gz RGFYGPDIUMFSKQ-WMZOPIPTSA-N 2 1 394.968 3.643 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)COc1ccc(Cl)cc1 ZINC000516563079 852727699 /nfs/dbraw/zinc/72/76/99/852727699.db2.gz RGFYGPDIUMFSKQ-WMZOPIPTSA-N 2 1 394.968 3.643 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC[NH2+]1 ZINC000414944917 852780452 /nfs/dbraw/zinc/78/04/52/852780452.db2.gz HPTPWOMANWZQIY-WMLDXEAASA-N 2 1 390.325 3.653 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC1 ZINC000516625006 852783588 /nfs/dbraw/zinc/78/35/88/852783588.db2.gz KTJGHQLDQBUTPM-UHFFFAOYSA-N 2 1 391.519 3.865 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945848 852790524 /nfs/dbraw/zinc/79/05/24/852790524.db2.gz SIUJKIUJDFULCX-KBXCAEBGSA-N 2 1 391.357 3.846 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000490223629 852834556 /nfs/dbraw/zinc/83/45/56/852834556.db2.gz UFEVBLDSYHOWGO-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)N(C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606092 852928097 /nfs/dbraw/zinc/92/80/97/852928097.db2.gz DMAVDLYJBFKRKS-VXKWHMMOSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606092 852928110 /nfs/dbraw/zinc/92/81/10/852928110.db2.gz DMAVDLYJBFKRKS-VXKWHMMOSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606092 852928120 /nfs/dbraw/zinc/92/81/20/852928120.db2.gz DMAVDLYJBFKRKS-VXKWHMMOSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606092 852928129 /nfs/dbraw/zinc/92/81/29/852928129.db2.gz DMAVDLYJBFKRKS-VXKWHMMOSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606092 852928136 /nfs/dbraw/zinc/92/81/36/852928136.db2.gz DMAVDLYJBFKRKS-VXKWHMMOSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H](C(=O)NC[C@H](C)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000516939608 853180938 /nfs/dbraw/zinc/18/09/38/853180938.db2.gz HKVBBWIIFCRDKF-PXNSSMCTSA-N 2 1 385.577 3.522 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490701227 853201781 /nfs/dbraw/zinc/20/17/81/853201781.db2.gz RSNWIDHCIYXHJH-PWIZWCRZSA-N 2 1 394.401 3.858 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490701227 853201784 /nfs/dbraw/zinc/20/17/84/853201784.db2.gz RSNWIDHCIYXHJH-PWIZWCRZSA-N 2 1 394.401 3.858 20 0 GHADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000518435887 853345231 /nfs/dbraw/zinc/34/52/31/853345231.db2.gz QAXXJEJUQYGSJF-FQEVSTJZSA-N 2 1 379.548 3.535 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000518444020 853346859 /nfs/dbraw/zinc/34/68/59/853346859.db2.gz CPUFUHUBLGANJR-GHTZIAJQSA-N 2 1 398.551 3.545 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000517143263 853434651 /nfs/dbraw/zinc/43/46/51/853434651.db2.gz WQXOFPUMFZFUJV-LJQANCHMSA-N 2 1 394.629 3.722 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780560 853502743 /nfs/dbraw/zinc/50/27/43/853502743.db2.gz VSFZRUAFAXSMBU-FKBYEOEOSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780560 853502746 /nfs/dbraw/zinc/50/27/46/853502746.db2.gz VSFZRUAFAXSMBU-FKBYEOEOSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780560 853502749 /nfs/dbraw/zinc/50/27/49/853502749.db2.gz VSFZRUAFAXSMBU-FKBYEOEOSA-N 2 1 384.568 3.528 20 0 GHADMP COc1ccccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964319 853536767 /nfs/dbraw/zinc/53/67/67/853536767.db2.gz OXKUCQZTLFKPEZ-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP COc1ccccc1C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964319 853536772 /nfs/dbraw/zinc/53/67/72/853536772.db2.gz OXKUCQZTLFKPEZ-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP COc1ccccc1C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964319 853536775 /nfs/dbraw/zinc/53/67/75/853536775.db2.gz OXKUCQZTLFKPEZ-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP c1nc2c(s1)CCC[C@@H]2[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000623867195 862485230 /nfs/dbraw/zinc/48/52/30/862485230.db2.gz SZEJSJPRFSFNKX-FQEVSTJZSA-N 2 1 384.593 3.708 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415957747 853635114 /nfs/dbraw/zinc/63/51/14/853635114.db2.gz VHHZBCGDQJSRFM-CQSZACIVSA-N 2 1 394.441 3.806 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440820728 853642408 /nfs/dbraw/zinc/64/24/08/853642408.db2.gz LWMKJVNPYYXKBJ-UHFFFAOYSA-N 2 1 378.398 3.943 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623898337 862496275 /nfs/dbraw/zinc/49/62/75/862496275.db2.gz FVEWPJKASSLBQR-ABSDTBQOSA-N 2 1 387.549 3.621 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623898337 862496281 /nfs/dbraw/zinc/49/62/81/862496281.db2.gz FVEWPJKASSLBQR-ABSDTBQOSA-N 2 1 387.549 3.621 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000441048172 853870199 /nfs/dbraw/zinc/87/01/99/853870199.db2.gz FMMHRUMKVSVVND-UHFFFAOYSA-N 2 1 387.612 3.853 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(-c4ccccc4)ns3)CC2)CC1 ZINC000571581161 853935112 /nfs/dbraw/zinc/93/51/12/853935112.db2.gz JCMFXPLPCAOUIA-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000520214312 853967859 /nfs/dbraw/zinc/96/78/59/853967859.db2.gz UEVYESFVMOURHA-INIZCTEOSA-N 2 1 381.499 3.695 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168379648 853995627 /nfs/dbraw/zinc/99/56/27/853995627.db2.gz MZVGVQYMKQCQEZ-UHFFFAOYSA-N 2 1 384.955 3.885 20 0 GHADMP C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000441325185 854110668 /nfs/dbraw/zinc/11/06/68/854110668.db2.gz BSWZBPAICFVDMT-KRWDZBQOSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441325185 854110671 /nfs/dbraw/zinc/11/06/71/854110671.db2.gz BSWZBPAICFVDMT-KRWDZBQOSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000441325185 854110672 /nfs/dbraw/zinc/11/06/72/854110672.db2.gz BSWZBPAICFVDMT-KRWDZBQOSA-N 2 1 382.346 3.584 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000441330085 854117081 /nfs/dbraw/zinc/11/70/81/854117081.db2.gz LDFXRWDTDNOWIU-CVEARBPZSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000441330085 854117092 /nfs/dbraw/zinc/11/70/92/854117092.db2.gz LDFXRWDTDNOWIU-CVEARBPZSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000441330085 854117098 /nfs/dbraw/zinc/11/70/98/854117098.db2.gz LDFXRWDTDNOWIU-CVEARBPZSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000441330085 854117104 /nfs/dbraw/zinc/11/71/04/854117104.db2.gz LDFXRWDTDNOWIU-CVEARBPZSA-N 2 1 375.340 3.539 20 0 GHADMP CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473962753 854428258 /nfs/dbraw/zinc/42/82/58/854428258.db2.gz GMJADBBFNJZXDA-CNNODRBYSA-N 2 1 397.567 3.695 20 0 GHADMP CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473962753 854428262 /nfs/dbraw/zinc/42/82/62/854428262.db2.gz GMJADBBFNJZXDA-CNNODRBYSA-N 2 1 397.567 3.695 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167995008 854429689 /nfs/dbraw/zinc/42/96/89/854429689.db2.gz TTYZGNBHCUTXPA-WRURNZQNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995008 854429693 /nfs/dbraw/zinc/42/96/93/854429693.db2.gz TTYZGNBHCUTXPA-WRURNZQNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995008 854429699 /nfs/dbraw/zinc/42/96/99/854429699.db2.gz TTYZGNBHCUTXPA-WRURNZQNSA-N 2 1 377.573 3.771 20 0 GHADMP NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994316 854436831 /nfs/dbraw/zinc/43/68/31/854436831.db2.gz BNMQJNUKVILPEZ-IEMWQLIPSA-N 2 1 381.564 3.515 20 0 GHADMP NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994316 854436833 /nfs/dbraw/zinc/43/68/33/854436833.db2.gz BNMQJNUKVILPEZ-IEMWQLIPSA-N 2 1 381.564 3.515 20 0 GHADMP NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994316 854436838 /nfs/dbraw/zinc/43/68/38/854436838.db2.gz BNMQJNUKVILPEZ-IEMWQLIPSA-N 2 1 381.564 3.515 20 0 GHADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000330110336 862581819 /nfs/dbraw/zinc/58/18/19/862581819.db2.gz ACOUTZGVAKHPPX-ZJOUEHCJSA-N 2 1 387.572 3.547 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000765777795 854787864 /nfs/dbraw/zinc/78/78/64/854787864.db2.gz ZRTVZLZDZUYHJP-GBXCKJPGSA-N 2 1 381.564 3.517 20 0 GHADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3CCn4cc(C)[nH+]c4C3)n2)cc1 ZINC000624441819 854807023 /nfs/dbraw/zinc/80/70/23/854807023.db2.gz ZVSWJGKGEOBSRF-SFHVURJKSA-N 2 1 395.507 3.692 20 0 GHADMP CC[C@H]1CCC[C@H]1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458952461 854888862 /nfs/dbraw/zinc/88/88/62/854888862.db2.gz UUCMBPQLLSYJRA-SFTDATJTSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1cccn2cc(CC(=O)NCc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)nc12 ZINC000624579425 854915021 /nfs/dbraw/zinc/91/50/21/854915021.db2.gz WNCXVQMHKNPNGW-IBGZPJMESA-N 2 1 390.531 3.876 20 0 GHADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000572897297 855038171 /nfs/dbraw/zinc/03/81/71/855038171.db2.gz HQXYUEQVWDQYMD-GOTSBHOMSA-N 2 1 383.580 3.623 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(C)c1C ZINC000589735520 855128359 /nfs/dbraw/zinc/12/83/59/855128359.db2.gz RQRDOSCZCDDAJH-AJSBUHFISA-N 2 1 395.547 3.510 20 0 GHADMP O=C1Nc2ccccc2CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655791291 855192863 /nfs/dbraw/zinc/19/28/63/855192863.db2.gz LLEYBGYTNPGUPI-ADYITMSISA-N 2 1 375.516 3.725 20 0 GHADMP O=C1Nc2ccccc2CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655791291 855192870 /nfs/dbraw/zinc/19/28/70/855192870.db2.gz LLEYBGYTNPGUPI-ADYITMSISA-N 2 1 375.516 3.725 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000590006352 855222843 /nfs/dbraw/zinc/22/28/43/855222843.db2.gz UEHXRKFBMADEBA-DHIUTWEWSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000590006352 855222857 /nfs/dbraw/zinc/22/28/57/855222857.db2.gz UEHXRKFBMADEBA-DHIUTWEWSA-N 2 1 395.547 3.641 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000590353137 855379316 /nfs/dbraw/zinc/37/93/16/855379316.db2.gz JYKBUUGCDUPGIA-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP CCn1c2ccccc2nc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001528 855454469 /nfs/dbraw/zinc/45/44/69/855454469.db2.gz CYNOKMIRTFFHHZ-WCRBZPEASA-N 2 1 393.579 3.584 20 0 GHADMP CCn1c2ccccc2nc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168001528 855454473 /nfs/dbraw/zinc/45/44/73/855454473.db2.gz CYNOKMIRTFFHHZ-WCRBZPEASA-N 2 1 393.579 3.584 20 0 GHADMP CCn1c2ccccc2nc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001528 855454477 /nfs/dbraw/zinc/45/44/77/855454477.db2.gz CYNOKMIRTFFHHZ-WCRBZPEASA-N 2 1 393.579 3.584 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c1C ZINC000133617032 855539699 /nfs/dbraw/zinc/53/96/99/855539699.db2.gz GIBDMNKNZZKAHV-QZTJIDSGSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c1C ZINC000133617032 855539707 /nfs/dbraw/zinc/53/97/07/855539707.db2.gz GIBDMNKNZZKAHV-QZTJIDSGSA-N 2 1 399.608 3.824 20 0 GHADMP c1ccc2c(c1)ncnc2N(C1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002028 855539975 /nfs/dbraw/zinc/53/99/75/855539975.db2.gz CAUDVRVSRNAJCC-WCRBZPEASA-N 2 1 391.563 3.594 20 0 GHADMP Clc1cccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)n1 ZINC001168004320 855749210 /nfs/dbraw/zinc/74/92/10/855749210.db2.gz SUKQWAGNRVWVFP-JWTNVVGKSA-N 2 1 375.944 3.984 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+](C)C3CCCC3)cc2)C1 ZINC000591408074 855963228 /nfs/dbraw/zinc/96/32/28/855963228.db2.gz XSFBJYMTMSMRCX-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@H+](C)C3CCCC3)cc2)C1 ZINC000591408074 855963233 /nfs/dbraw/zinc/96/32/33/855963233.db2.gz XSFBJYMTMSMRCX-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+](C)C3CCCC3)cc2)C1 ZINC000591408074 855963258 /nfs/dbraw/zinc/96/32/58/855963258.db2.gz XSFBJYMTMSMRCX-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760828883 855989310 /nfs/dbraw/zinc/98/93/10/855989310.db2.gz ZSKVWUFHDBDMSG-UXHICEINSA-N 2 1 394.991 3.897 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000760828883 855989314 /nfs/dbraw/zinc/98/93/14/855989314.db2.gz ZSKVWUFHDBDMSG-UXHICEINSA-N 2 1 394.991 3.897 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000591717157 856210068 /nfs/dbraw/zinc/21/00/68/856210068.db2.gz NADUQRXKQNCOKN-UHFFFAOYSA-N 2 1 390.575 3.807 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038830373 856298346 /nfs/dbraw/zinc/29/83/46/856298346.db2.gz YRQQPVZGYLERCE-DEOSSOPVSA-N 2 1 391.559 3.811 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000520765448 856384226 /nfs/dbraw/zinc/38/42/26/856384226.db2.gz XUUAKQMTJGKZPF-KRWDZBQOSA-N 2 1 378.520 3.986 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000658076057 856409038 /nfs/dbraw/zinc/40/90/38/856409038.db2.gz DSLLKXJWTMLESV-UBFVSLLYSA-N 2 1 391.559 3.856 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485405320 856464074 /nfs/dbraw/zinc/46/40/74/856464074.db2.gz QLXGMOIFZASBEI-DWLFOUALSA-N 2 1 395.522 3.821 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485405320 856464081 /nfs/dbraw/zinc/46/40/81/856464081.db2.gz QLXGMOIFZASBEI-DWLFOUALSA-N 2 1 395.522 3.821 20 0 GHADMP Cc1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485481281 856655620 /nfs/dbraw/zinc/65/56/20/856655620.db2.gz SUQABDPBVHHNMV-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1sccc1Br ZINC000658136698 856775040 /nfs/dbraw/zinc/77/50/40/856775040.db2.gz DUVLWSPQOWQMED-CJNGLKHVSA-N 2 1 395.366 3.928 20 0 GHADMP Cc1ccc2ccccc2c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000485682277 856944782 /nfs/dbraw/zinc/94/47/82/856944782.db2.gz ZVFYAZLJAIDCDN-UHFFFAOYSA-N 2 1 379.548 3.524 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1C)C1CC1 ZINC000465915925 856949772 /nfs/dbraw/zinc/94/97/72/856949772.db2.gz BPAINJGTFIOPJO-UNMCSNQZSA-N 2 1 386.584 3.504 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)CCO2 ZINC000766122770 857270951 /nfs/dbraw/zinc/27/09/51/857270951.db2.gz OJJYPTOHKNDYIG-RJGXRXQPSA-N 2 1 380.532 3.545 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)CCO2 ZINC000766122770 857270970 /nfs/dbraw/zinc/27/09/70/857270970.db2.gz OJJYPTOHKNDYIG-RJGXRXQPSA-N 2 1 380.532 3.545 20 0 GHADMP Fc1cc2[nH]c(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cc2c(Br)c1 ZINC000922023280 857555818 /nfs/dbraw/zinc/55/58/18/857555818.db2.gz BOWCVRWNQQBWSJ-LLVKDONJSA-N 2 1 377.261 3.618 20 0 GHADMP COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCO2)cc1 ZINC001168586679 857576214 /nfs/dbraw/zinc/57/62/14/857576214.db2.gz JXNLFUPIQXCQTO-ISKFKSNPSA-N 2 1 396.531 3.537 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502114 857613681 /nfs/dbraw/zinc/61/36/81/857613681.db2.gz QIAPGZWURVSTID-SFHVURJKSA-N 2 1 390.572 3.649 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000675822400 857624935 /nfs/dbraw/zinc/62/49/35/857624935.db2.gz YTPXUCRANRKSRD-UNMCSNQZSA-N 2 1 399.966 3.801 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000064228603 857687510 /nfs/dbraw/zinc/68/75/10/857687510.db2.gz SRXXEVFPWSFVNB-QFIPXVFZSA-N 2 1 382.552 3.549 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3C[NH+](C)C)c2)C[C@H](C)O1 ZINC000486376092 857689531 /nfs/dbraw/zinc/68/95/31/857689531.db2.gz FDEHEGNDBSXGSL-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3C[NH+](C)C)c2)C[C@H](C)O1 ZINC000486376092 857689540 /nfs/dbraw/zinc/68/95/40/857689540.db2.gz FDEHEGNDBSXGSL-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000676001619 857705461 /nfs/dbraw/zinc/70/54/61/857705461.db2.gz MXVULGSRIXZUBE-ZRBLBEILSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000676056472 857720147 /nfs/dbraw/zinc/72/01/47/857720147.db2.gz ZYLZMGAMIDGLRJ-OAHLLOKOSA-N 2 1 377.916 3.925 20 0 GHADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000482322519 862945167 /nfs/dbraw/zinc/94/51/67/862945167.db2.gz RLKBDQASXGWLGX-IBGZPJMESA-N 2 1 382.390 3.763 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428249621 857751170 /nfs/dbraw/zinc/75/11/70/857751170.db2.gz TVFGPQZEZOCZTQ-RBZQAINGSA-N 2 1 394.559 3.838 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000486581081 857894450 /nfs/dbraw/zinc/89/44/50/857894450.db2.gz RHQRBKCCXKZCCN-MOPGFXCFSA-N 2 1 399.501 3.597 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000486581082 857894649 /nfs/dbraw/zinc/89/46/49/857894649.db2.gz RHQRBKCCXKZCCN-OALUTQOASA-N 2 1 399.501 3.597 20 0 GHADMP CC(C)COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000521332599 857895019 /nfs/dbraw/zinc/89/50/19/857895019.db2.gz JHFVCZRYJWFSLK-NRFANRHFSA-N 2 1 387.593 3.861 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2cccc(Br)c21 ZINC000482346921 862976039 /nfs/dbraw/zinc/97/60/39/862976039.db2.gz BKKQWIZEVXBKFO-DNVCBOLYSA-N 2 1 394.401 3.861 20 0 GHADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442786035 858124926 /nfs/dbraw/zinc/12/49/26/858124926.db2.gz UUJPJVLDIYGLBV-SIKLNZKXSA-N 2 1 377.532 3.934 20 0 GHADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442786035 858124928 /nfs/dbraw/zinc/12/49/28/858124928.db2.gz UUJPJVLDIYGLBV-SIKLNZKXSA-N 2 1 377.532 3.934 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000574689690 858163351 /nfs/dbraw/zinc/16/33/51/858163351.db2.gz PMSIPQDNYJHPHL-AOHZBQACSA-N 2 1 393.531 3.569 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1(C)C ZINC000442871005 858187945 /nfs/dbraw/zinc/18/79/45/858187945.db2.gz FBOHAHHUAVHGBR-SFHVURJKSA-N 2 1 394.401 3.787 20 0 GHADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594606637 858240827 /nfs/dbraw/zinc/24/08/27/858240827.db2.gz MRAJOXGNLCCDMA-RTWAWAEBSA-N 2 1 380.573 3.512 20 0 GHADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@H]1c1ccccc1 ZINC000543097382 858341329 /nfs/dbraw/zinc/34/13/29/858341329.db2.gz YZGAYCNFUBNZJV-LWZKNFMGSA-N 2 1 391.559 3.666 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1Cl ZINC000594949868 858343391 /nfs/dbraw/zinc/34/33/91/858343391.db2.gz UIGMNCXCSNYWDT-PXNSSMCTSA-N 2 1 392.975 3.506 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553124 858358152 /nfs/dbraw/zinc/35/81/52/858358152.db2.gz WBKAUESRFFGUHR-QXGSTGNESA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553124 858358156 /nfs/dbraw/zinc/35/81/56/858358156.db2.gz WBKAUESRFFGUHR-QXGSTGNESA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553080 858360897 /nfs/dbraw/zinc/36/08/97/858360897.db2.gz MGIJXMRDAMKNGV-QZTJIDSGSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553080 858360905 /nfs/dbraw/zinc/36/09/05/858360905.db2.gz MGIJXMRDAMKNGV-QZTJIDSGSA-N 2 1 396.938 3.526 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000574869047 858400608 /nfs/dbraw/zinc/40/06/08/858400608.db2.gz KZEXXPCRDJVJAB-UXHICEINSA-N 2 1 388.577 3.552 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000574869047 858400612 /nfs/dbraw/zinc/40/06/12/858400612.db2.gz KZEXXPCRDJVJAB-UXHICEINSA-N 2 1 388.577 3.552 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000575046357 858503054 /nfs/dbraw/zinc/50/30/54/858503054.db2.gz MHJRQTKHIPMRJU-PGRDOPGGSA-N 2 1 381.520 3.744 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000079864273 858688426 /nfs/dbraw/zinc/68/84/26/858688426.db2.gz RAXFBYCUDHPTPT-GOSISDBHSA-N 2 1 380.602 3.504 20 0 GHADMP COCCOc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC001168019185 858764080 /nfs/dbraw/zinc/76/40/80/858764080.db2.gz HHINKTLFJQNBQP-RTBURBONSA-N 2 1 383.536 3.638 20 0 GHADMP C[C@H](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000183564893 858773265 /nfs/dbraw/zinc/77/32/65/858773265.db2.gz DESFVVRKSJIAFG-GOSISDBHSA-N 2 1 390.597 3.621 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1 ZINC000183675309 858792741 /nfs/dbraw/zinc/79/27/41/858792741.db2.gz YJBZCWDVIXYGCL-SPEDKVCISA-N 2 1 398.551 3.543 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)CC[N@H+]1C ZINC000625801174 858936800 /nfs/dbraw/zinc/93/68/00/858936800.db2.gz AUNRLTIMUMQBDE-OYNPSCLESA-N 2 1 397.588 3.563 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[NH+]1C ZINC000625801174 858936804 /nfs/dbraw/zinc/93/68/04/858936804.db2.gz AUNRLTIMUMQBDE-OYNPSCLESA-N 2 1 397.588 3.563 20 0 GHADMP C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[NH+]1C ZINC000625801174 858936809 /nfs/dbraw/zinc/93/68/09/858936809.db2.gz AUNRLTIMUMQBDE-OYNPSCLESA-N 2 1 397.588 3.563 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)CC[N@H+]1C ZINC000625801171 858937504 /nfs/dbraw/zinc/93/75/04/858937504.db2.gz AUNRLTIMUMQBDE-CWJKEVGVSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[NH+]1C ZINC000625801171 858937509 /nfs/dbraw/zinc/93/75/09/858937509.db2.gz AUNRLTIMUMQBDE-CWJKEVGVSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[NH+]1C ZINC000625801171 858937515 /nfs/dbraw/zinc/93/75/15/858937515.db2.gz AUNRLTIMUMQBDE-CWJKEVGVSA-N 2 1 397.588 3.563 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000482897852 858959694 /nfs/dbraw/zinc/95/96/94/858959694.db2.gz HYIZTDXKJNNIGH-QHCPKHFHSA-N 2 1 397.563 3.832 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000443560154 858963882 /nfs/dbraw/zinc/96/38/82/858963882.db2.gz XXXLGJVLEPWIBZ-FQEVSTJZSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765976300 858982790 /nfs/dbraw/zinc/98/27/90/858982790.db2.gz MQMLLPKWFYDUBP-DNVCBOLYSA-N 2 1 386.565 3.808 20 0 GHADMP [NH3+][C@@H]1CCN(Cc2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)c2)C1 ZINC001170337446 881371459 /nfs/dbraw/zinc/37/14/59/881371459.db2.gz RIJGHHWIUYKGOD-DFXJHMEVSA-N 2 1 390.575 3.827 20 0 GHADMP COc1ccc(C[C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168022595 859025736 /nfs/dbraw/zinc/02/57/36/859025736.db2.gz TYOCDVCWUFNAII-YDLSIGKMSA-N 2 1 382.548 3.630 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000120249504 881378930 /nfs/dbraw/zinc/37/89/30/881378930.db2.gz MLVPDRWHRZKPAL-JOCHJYFZSA-N 2 1 397.567 3.696 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C[C@H](C)O1 ZINC000116693383 859105433 /nfs/dbraw/zinc/10/54/33/859105433.db2.gz BXROHJRLUFUZLO-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C[C@H](C)O1 ZINC000116693383 859105444 /nfs/dbraw/zinc/10/54/44/859105444.db2.gz BXROHJRLUFUZLO-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708660 859119217 /nfs/dbraw/zinc/11/92/17/859119217.db2.gz CWXHWCNMFUUQBM-RXVVDRJESA-N 2 1 395.547 3.952 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708660 859119223 /nfs/dbraw/zinc/11/92/23/859119223.db2.gz CWXHWCNMFUUQBM-RXVVDRJESA-N 2 1 395.547 3.952 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738473 859123744 /nfs/dbraw/zinc/12/37/44/859123744.db2.gz GSGVEIXPTFLVKC-KYBDOYODSA-N 2 1 375.601 3.799 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738473 859123755 /nfs/dbraw/zinc/12/37/55/859123755.db2.gz GSGVEIXPTFLVKC-KYBDOYODSA-N 2 1 375.601 3.799 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000060375801 859137670 /nfs/dbraw/zinc/13/76/70/859137670.db2.gz IMJGPPYVMZIGAP-UHFFFAOYSA-N 2 1 396.457 3.581 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543282053 859144998 /nfs/dbraw/zinc/14/49/98/859144998.db2.gz XWDCTRLINGTMMP-QWFCFKBJSA-N 2 1 386.584 3.872 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000191486985 859179814 /nfs/dbraw/zinc/17/98/14/859179814.db2.gz LKFTYXCTALGSCW-HNNXBMFYSA-N 2 1 385.537 3.794 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000191486985 859179820 /nfs/dbraw/zinc/17/98/20/859179820.db2.gz LKFTYXCTALGSCW-HNNXBMFYSA-N 2 1 385.537 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000483155782 859187554 /nfs/dbraw/zinc/18/75/54/859187554.db2.gz HXVMQKLACBJMEI-NJYVYQBISA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000483155782 859187558 /nfs/dbraw/zinc/18/75/58/859187558.db2.gz HXVMQKLACBJMEI-NJYVYQBISA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000483155782 859187564 /nfs/dbraw/zinc/18/75/64/859187564.db2.gz HXVMQKLACBJMEI-NJYVYQBISA-N 2 1 375.601 3.754 20 0 GHADMP CC(C)c1oc([C@@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)nc1-c1ccccc1 ZINC000923324751 859228176 /nfs/dbraw/zinc/22/81/76/859228176.db2.gz KDCBRUVSEBQFAH-MOPGFXCFSA-N 2 1 381.520 3.980 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000191508114 859230132 /nfs/dbraw/zinc/23/01/32/859230132.db2.gz VVPWRHARVFOFEK-OAHLLOKOSA-N 2 1 392.931 3.847 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000191508114 859230143 /nfs/dbraw/zinc/23/01/43/859230143.db2.gz VVPWRHARVFOFEK-OAHLLOKOSA-N 2 1 392.931 3.847 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000191512240 859232800 /nfs/dbraw/zinc/23/28/00/859232800.db2.gz HDEFILKVRFBYMP-MRXNPFEDSA-N 2 1 376.932 3.516 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000191512240 859232811 /nfs/dbraw/zinc/23/28/11/859232811.db2.gz HDEFILKVRFBYMP-MRXNPFEDSA-N 2 1 376.932 3.516 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759476 859279327 /nfs/dbraw/zinc/27/93/27/859279327.db2.gz XGRGCITWHWMRFN-RTWAWAEBSA-N 2 1 388.577 3.518 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC1 ZINC000466719561 859282615 /nfs/dbraw/zinc/28/26/15/859282615.db2.gz XEKWTSBSTJISRP-KRWDZBQOSA-N 2 1 393.597 3.558 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccccc3OC(C)C)C2)ccn1 ZINC000856555825 881405511 /nfs/dbraw/zinc/40/55/11/881405511.db2.gz SHLQKXNAZYKIEN-JOCHJYFZSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3OC(C)C)C2)ccn1 ZINC000856555825 881405518 /nfs/dbraw/zinc/40/55/18/881405518.db2.gz SHLQKXNAZYKIEN-JOCHJYFZSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3OC(C)C)C2)ccn1 ZINC000856555825 881405527 /nfs/dbraw/zinc/40/55/27/881405527.db2.gz SHLQKXNAZYKIEN-JOCHJYFZSA-N 2 1 383.536 3.974 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3ccccc3F)C2)ccn1 ZINC000856559976 881440646 /nfs/dbraw/zinc/44/06/46/881440646.db2.gz TUJNTJSNVMCSLJ-FQEVSTJZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3ccccc3F)C2)ccn1 ZINC000856559976 881440647 /nfs/dbraw/zinc/44/06/47/881440647.db2.gz TUJNTJSNVMCSLJ-FQEVSTJZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3ccccc3F)C2)ccn1 ZINC000856559976 881440649 /nfs/dbraw/zinc/44/06/49/881440649.db2.gz TUJNTJSNVMCSLJ-FQEVSTJZSA-N 2 1 387.499 3.593 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccccc1I ZINC000483709237 859565720 /nfs/dbraw/zinc/56/57/20/859565720.db2.gz FDVFRDHVKKHUDH-ZDUSSCGKSA-N 2 1 383.277 3.927 20 0 GHADMP CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856560003 881440869 /nfs/dbraw/zinc/44/08/69/881440869.db2.gz FHURBLJTGOWIBN-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856560003 881440870 /nfs/dbraw/zinc/44/08/70/881440870.db2.gz FHURBLJTGOWIBN-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856560003 881440879 /nfs/dbraw/zinc/44/08/79/881440879.db2.gz FHURBLJTGOWIBN-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC3CCOCC3)C2)ccn1 ZINC000856561357 881445202 /nfs/dbraw/zinc/44/52/02/881445202.db2.gz URFHQSASMZZCNP-JOCHJYFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCC3CCOCC3)C2)ccn1 ZINC000856561357 881445209 /nfs/dbraw/zinc/44/52/09/881445209.db2.gz URFHQSASMZZCNP-JOCHJYFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCC3CCOCC3)C2)ccn1 ZINC000856561357 881445217 /nfs/dbraw/zinc/44/52/17/881445217.db2.gz URFHQSASMZZCNP-JOCHJYFZSA-N 2 1 375.557 3.582 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000483851006 859650305 /nfs/dbraw/zinc/65/03/05/859650305.db2.gz QCKQWVCBQBGDGV-RXVVDRJESA-N 2 1 384.568 3.527 20 0 GHADMP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000668276534 859666257 /nfs/dbraw/zinc/66/62/57/859666257.db2.gz PNOXZBVYBJALOW-KWOQKUFVSA-N 2 1 382.548 3.578 20 0 GHADMP C[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000474262903 859722356 /nfs/dbraw/zinc/72/23/56/859722356.db2.gz BQTZNFPOEJJDKE-RXVVDRJESA-N 2 1 397.529 3.986 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000895605325 859728295 /nfs/dbraw/zinc/72/82/95/859728295.db2.gz QNNRHVYBNCAEQD-NZQKXSOJSA-N 2 1 390.531 3.674 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000895605325 859728297 /nfs/dbraw/zinc/72/82/97/859728297.db2.gz QNNRHVYBNCAEQD-NZQKXSOJSA-N 2 1 390.531 3.674 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000474308661 859800761 /nfs/dbraw/zinc/80/07/61/859800761.db2.gz IVZLHXNUADNVKE-UHFFFAOYSA-N 2 1 388.515 3.995 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000499801871 859837221 /nfs/dbraw/zinc/83/72/21/859837221.db2.gz VZWNIJMBQHKGLS-RBUKOAKNSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(c3cccnc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032964 859848318 /nfs/dbraw/zinc/84/83/18/859848318.db2.gz JFNBZWQTJUHEEP-JHDGKUDLSA-N 2 1 378.564 3.773 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC000765376353 859936521 /nfs/dbraw/zinc/93/65/21/859936521.db2.gz OISAJNZDQLRIRW-AEFFLSMTSA-N 2 1 390.572 3.797 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484510470 860061169 /nfs/dbraw/zinc/06/11/69/860061169.db2.gz XVIFTXVTNHWSQL-ILWGZMRPSA-N 2 1 379.548 3.774 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000484510470 860061182 /nfs/dbraw/zinc/06/11/82/860061182.db2.gz XVIFTXVTNHWSQL-ILWGZMRPSA-N 2 1 379.548 3.774 20 0 GHADMP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]([NH3+])Cc2cc3ccccc3o2)n1 ZINC000904093058 860139583 /nfs/dbraw/zinc/13/95/83/860139583.db2.gz IPAWPBXPNPKMQV-SFHVURJKSA-N 2 1 392.459 3.666 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000474455933 860143396 /nfs/dbraw/zinc/14/33/96/860143396.db2.gz DASONASWFUAEKI-ZBFHGGJFSA-N 2 1 398.332 3.686 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474472584 860176140 /nfs/dbraw/zinc/17/61/40/860176140.db2.gz DKONKJQCXNSXHA-CALCHBBNSA-N 2 1 375.948 3.768 20 0 GHADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000474478691 860186651 /nfs/dbraw/zinc/18/66/51/860186651.db2.gz AWGCNASATDMXHV-AWEZNQCLSA-N 2 1 398.332 3.829 20 0 GHADMP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)c2ccccc2)CC1 ZINC000532214052 860233135 /nfs/dbraw/zinc/23/31/35/860233135.db2.gz QPYPLPJCTAFQPO-LEWJYISDSA-N 2 1 385.552 3.941 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccsc1 ZINC000533819460 860239257 /nfs/dbraw/zinc/23/92/57/860239257.db2.gz OIAIBTYYSNPFBC-VQTJNVASSA-N 2 1 386.565 3.617 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccsc1 ZINC000533819460 860239261 /nfs/dbraw/zinc/23/92/61/860239261.db2.gz OIAIBTYYSNPFBC-VQTJNVASSA-N 2 1 386.565 3.617 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000904649684 860544254 /nfs/dbraw/zinc/54/42/54/860544254.db2.gz SALDVDSLCVDUCH-TUNNFDKTSA-N 2 1 378.520 3.568 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000555461143 860950598 /nfs/dbraw/zinc/95/05/98/860950598.db2.gz QWYGLELUUCXVTA-PXNSSMCTSA-N 2 1 386.515 3.659 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000555461143 860950609 /nfs/dbraw/zinc/95/06/09/860950609.db2.gz QWYGLELUUCXVTA-PXNSSMCTSA-N 2 1 386.515 3.659 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(F)c(F)c3N(C)C)CC2)oc1C ZINC000623414588 861028007 /nfs/dbraw/zinc/02/80/07/861028007.db2.gz JMTMEXYUHIEUSA-UHFFFAOYSA-N 2 1 392.494 3.637 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC([NH+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000179163019 861049554 /nfs/dbraw/zinc/04/95/54/861049554.db2.gz HPORCBHOMJIPCC-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP CC[NH+](CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000179163019 861049566 /nfs/dbraw/zinc/04/95/66/861049566.db2.gz HPORCBHOMJIPCC-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP CC[NH+](CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000179163019 861049579 /nfs/dbraw/zinc/04/95/79/861049579.db2.gz HPORCBHOMJIPCC-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623429443 861056259 /nfs/dbraw/zinc/05/62/59/861056259.db2.gz DFOSWNJSKYRDRS-UHFFFAOYSA-N 2 1 394.342 3.976 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000481328978 861077858 /nfs/dbraw/zinc/07/78/58/861077858.db2.gz WFEZYCDKAJHBEH-OALUTQOASA-N 2 1 378.520 3.906 20 0 GHADMP C[C@H](C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000605510229 863093360 /nfs/dbraw/zinc/09/33/60/863093360.db2.gz NLMJIFJZSRWQKN-HYBUGGRVSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@H](C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000605510229 863093374 /nfs/dbraw/zinc/09/33/74/863093374.db2.gz NLMJIFJZSRWQKN-HYBUGGRVSA-N 2 1 391.559 3.777 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)nnn1-c1ccccc1 ZINC000482447425 863137586 /nfs/dbraw/zinc/13/75/86/863137586.db2.gz MHHPJBBUNVZTNU-SFHVURJKSA-N 2 1 393.535 3.757 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000482449320 863148475 /nfs/dbraw/zinc/14/84/75/863148475.db2.gz HKEOWTAKBYDWSJ-JTSKRJEESA-N 2 1 384.495 3.735 20 0 GHADMP C[N@@H+](CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477527 863186838 /nfs/dbraw/zinc/18/68/38/863186838.db2.gz LZVIOLJKBMROIV-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477527 863186847 /nfs/dbraw/zinc/18/68/47/863186847.db2.gz LZVIOLJKBMROIV-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477527 863186854 /nfs/dbraw/zinc/18/68/54/863186854.db2.gz LZVIOLJKBMROIV-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000605685124 863232363 /nfs/dbraw/zinc/23/23/63/863232363.db2.gz GQJZAYMUUSMJPA-FQEVSTJZSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000605685124 863232374 /nfs/dbraw/zinc/23/23/74/863232374.db2.gz GQJZAYMUUSMJPA-FQEVSTJZSA-N 2 1 377.532 3.629 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499233305 881639555 /nfs/dbraw/zinc/63/95/55/881639555.db2.gz JRQMXXDGWIGOHG-FWKCKQQBSA-N 2 1 383.580 3.855 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000282607201 863246665 /nfs/dbraw/zinc/24/66/65/863246665.db2.gz YOOAFZUKKYJEFJ-LJQANCHMSA-N 2 1 392.547 3.561 20 0 GHADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482550238 863295717 /nfs/dbraw/zinc/29/57/17/863295717.db2.gz FAYFEJXAZXTYGC-UXHICEINSA-N 2 1 385.577 3.517 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000120643670 881650576 /nfs/dbraw/zinc/65/05/76/881650576.db2.gz KWJGUGQOASUEMW-DVECYGJZSA-N 2 1 390.531 3.905 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000482595461 863364862 /nfs/dbraw/zinc/36/48/62/863364862.db2.gz GRLDTGSJRILBBH-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000482595461 863364874 /nfs/dbraw/zinc/36/48/74/863364874.db2.gz GRLDTGSJRILBBH-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[N@H+](C1C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001168051884 863669309 /nfs/dbraw/zinc/66/93/09/863669309.db2.gz JRRYEHLLGRMSFB-YOSAUDMPSA-N 2 1 383.580 3.905 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000856717993 881683186 /nfs/dbraw/zinc/68/31/86/881683186.db2.gz LYPGURPFCXMEHE-PKTZIBPZSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000856717993 881683202 /nfs/dbraw/zinc/68/32/02/881683202.db2.gz LYPGURPFCXMEHE-PKTZIBPZSA-N 2 1 377.532 3.500 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000158584322 863880743 /nfs/dbraw/zinc/88/07/43/863880743.db2.gz GGKDWLNXWLSQSD-CEXWTWQISA-N 2 1 395.613 3.857 20 0 GHADMP CN(CCCC[NH+](C)C)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667608432 863896202 /nfs/dbraw/zinc/89/62/02/863896202.db2.gz GICVYHPGRXDQEO-UHFFFAOYSA-N 2 1 389.569 3.696 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103305944 863949922 /nfs/dbraw/zinc/94/99/22/863949922.db2.gz LXSXQFSOXVTGLG-FGZHOGPDSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000480085148 864004075 /nfs/dbraw/zinc/00/40/75/864004075.db2.gz SRWHPSJIOWTLPX-JTHBVZDNSA-N 2 1 385.596 3.522 20 0 GHADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(C)cc1 ZINC000621284720 864031425 /nfs/dbraw/zinc/03/14/25/864031425.db2.gz XEJDBLJSMWROOA-UHFFFAOYSA-N 2 1 379.548 3.729 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000898517601 864075123 /nfs/dbraw/zinc/07/51/23/864075123.db2.gz RMKZPYFZFHISTR-SGNDLWITSA-N 2 1 391.559 3.779 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518404 864077866 /nfs/dbraw/zinc/07/78/66/864077866.db2.gz HSXXSIBHLSYYPV-VJBWXMMDSA-N 2 1 391.559 3.779 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000607281726 864239843 /nfs/dbraw/zinc/23/98/43/864239843.db2.gz AJBLAEBSCXRUAG-FGZHOGPDSA-N 2 1 383.511 3.599 20 0 GHADMP CCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475171950 864394739 /nfs/dbraw/zinc/39/47/39/864394739.db2.gz GFYGJWGXFVARMJ-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@@H]1C ZINC000792874282 881763459 /nfs/dbraw/zinc/76/34/59/881763459.db2.gz UKIGKSFHADFLKX-LZNRXBQRSA-N 2 1 387.568 3.854 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(-n4cncn4)cc3Cl)CC2)[nH+]c1 ZINC000163508626 864527941 /nfs/dbraw/zinc/52/79/41/864527941.db2.gz WQWYCCBWKVSWJL-MRXNPFEDSA-N 2 1 396.926 3.944 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c2cccs2)CC1 ZINC000554552896 864537239 /nfs/dbraw/zinc/53/72/39/864537239.db2.gz GJEGWZVQBYQXIF-HLAWJBBLSA-N 2 1 384.593 3.748 20 0 GHADMP C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163934303 864579546 /nfs/dbraw/zinc/57/95/46/864579546.db2.gz RYIHXQSEOXVULT-GOSISDBHSA-N 2 1 388.577 3.959 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C(C)C)cc1Cl ZINC000480401043 864608618 /nfs/dbraw/zinc/60/86/18/864608618.db2.gz JHILUHOAHHMNKX-WAOWUJCRSA-N 2 1 394.987 3.928 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000164596370 864623470 /nfs/dbraw/zinc/62/34/70/864623470.db2.gz XEWPCIPTDWZDJU-AWEZNQCLSA-N 2 1 382.430 3.997 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000475287143 864716939 /nfs/dbraw/zinc/71/69/39/864716939.db2.gz TYJIFQZHAPYHQH-NRFANRHFSA-N 2 1 380.467 3.896 20 0 GHADMP CCN(Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684284 864756412 /nfs/dbraw/zinc/75/64/12/864756412.db2.gz QLENETGXAYTXTA-OAQYLSRUSA-N 2 1 375.520 3.611 20 0 GHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000667683146 864771819 /nfs/dbraw/zinc/77/18/19/864771819.db2.gz GLRMYDVCZRZXJP-UWJYYQICSA-N 2 1 384.593 3.576 20 0 GHADMP Fc1cccc(F)c1N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000167473022 864781336 /nfs/dbraw/zinc/78/13/36/864781336.db2.gz UJUCOEAQSWUZIJ-FQEVSTJZSA-N 2 1 385.502 3.840 20 0 GHADMP CCN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475365915 864873064 /nfs/dbraw/zinc/87/30/64/864873064.db2.gz CKLXQGQUTXMMEV-JYUKWDKTSA-N 2 1 398.595 3.870 20 0 GHADMP CCC[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475368939 864882981 /nfs/dbraw/zinc/88/29/81/864882981.db2.gz HLIHXYUZUUQNOT-KOENEWCDSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000132932093 881814528 /nfs/dbraw/zinc/81/45/28/881814528.db2.gz ZFZZWVVFXUEXBT-LJQANCHMSA-N 2 1 390.572 3.666 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000480611273 864944094 /nfs/dbraw/zinc/94/40/94/864944094.db2.gz OIEQMOHNQYCRSI-IXDOHACOSA-N 2 1 375.948 3.939 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000480611273 864944103 /nfs/dbraw/zinc/94/41/03/864944103.db2.gz OIEQMOHNQYCRSI-IXDOHACOSA-N 2 1 375.948 3.939 20 0 GHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480622646 864987850 /nfs/dbraw/zinc/98/78/50/864987850.db2.gz VVMFZAZGHRHQEG-UZUQRXQVSA-N 2 1 395.522 3.627 20 0 GHADMP O=C(NCc1c[nH+]c2n1CCCC2)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000671201606 865021336 /nfs/dbraw/zinc/02/13/36/865021336.db2.gz ZTKOBBVTZSRWHP-UHFFFAOYSA-N 2 1 395.551 3.595 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950978 865033908 /nfs/dbraw/zinc/03/39/08/865033908.db2.gz YXFUTMUXJPXGBH-HNNXBMFYSA-N 2 1 396.963 3.665 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000608168926 865063628 /nfs/dbraw/zinc/06/36/28/865063628.db2.gz RRDXYJZYLMQGAB-DEOSSOPVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4OC)cc2)CC1 ZINC000480716078 865155777 /nfs/dbraw/zinc/15/57/77/865155777.db2.gz WRXWKZFCUARNLG-QHCPKHFHSA-N 2 1 379.548 3.610 20 0 GHADMP COCCC[NH+]1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301261735 865251692 /nfs/dbraw/zinc/25/16/92/865251692.db2.gz BNTWTPRCSUSMNC-UHFFFAOYSA-N 2 1 378.314 3.910 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555009441 865305443 /nfs/dbraw/zinc/30/54/43/865305443.db2.gz QNHDVCQJQDMOFY-HSZRJFAPSA-N 2 1 377.532 3.677 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608475203 865348951 /nfs/dbraw/zinc/34/89/51/865348951.db2.gz ORWVGOGXAAKOML-IBGZPJMESA-N 2 1 391.515 3.841 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500915 865389307 /nfs/dbraw/zinc/38/93/07/865389307.db2.gz SJQXCDUWIDDUAA-GJZGRUSLSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500915 865389322 /nfs/dbraw/zinc/38/93/22/865389322.db2.gz SJQXCDUWIDDUAA-GJZGRUSLSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500915 865389341 /nfs/dbraw/zinc/38/93/41/865389341.db2.gz SJQXCDUWIDDUAA-GJZGRUSLSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500915 865389358 /nfs/dbraw/zinc/38/93/58/865389358.db2.gz SJQXCDUWIDDUAA-GJZGRUSLSA-N 2 1 375.340 3.539 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000671254171 865732815 /nfs/dbraw/zinc/73/28/15/865732815.db2.gz SXCXPSXEKIYOHH-DNQXCXABSA-N 2 1 384.564 3.692 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000494564844 881919620 /nfs/dbraw/zinc/91/96/20/881919620.db2.gz LUOHIRGHQVTIMZ-RBUKOAKNSA-N 2 1 378.442 3.667 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000494564844 881919634 /nfs/dbraw/zinc/91/96/34/881919634.db2.gz LUOHIRGHQVTIMZ-RBUKOAKNSA-N 2 1 378.442 3.667 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000481175082 865924458 /nfs/dbraw/zinc/92/44/58/865924458.db2.gz LRPMWEYQSRHXHM-GBXCKJPGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000481175082 865924474 /nfs/dbraw/zinc/92/44/74/865924474.db2.gz LRPMWEYQSRHXHM-GBXCKJPGSA-N 2 1 391.559 3.678 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000665820640 866450652 /nfs/dbraw/zinc/45/06/52/866450652.db2.gz AFRWXRUMVVDROP-JOCHJYFZSA-N 2 1 398.595 3.959 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000152337554 866530840 /nfs/dbraw/zinc/53/08/40/866530840.db2.gz PAURRHFQDGHYLR-NZSAHSFTSA-N 2 1 399.501 3.791 20 0 GHADMP CN(c1ccccc1C[NH+]1CCN(Cc2ccsc2)CC1)C1CC[NH+](C)CC1 ZINC000534332521 866580000 /nfs/dbraw/zinc/58/00/00/866580000.db2.gz GXWOMHJHZVUIGE-UHFFFAOYSA-N 2 1 398.620 3.596 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000534347806 866595019 /nfs/dbraw/zinc/59/50/19/866595019.db2.gz NEEWWUNUNCCSNK-UHFFFAOYSA-N 2 1 397.357 3.773 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000534347806 866595028 /nfs/dbraw/zinc/59/50/28/866595028.db2.gz NEEWWUNUNCCSNK-UHFFFAOYSA-N 2 1 397.357 3.773 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000857077663 881992582 /nfs/dbraw/zinc/99/25/82/881992582.db2.gz MLGQENDEFHSMMF-VWNXMTODSA-N 2 1 377.532 3.986 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)cc1C[NH+]1CCCCC1 ZINC000183391747 866687225 /nfs/dbraw/zinc/68/72/25/866687225.db2.gz YQQHVQLUXUVOHQ-SFHVURJKSA-N 2 1 382.552 3.993 20 0 GHADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000478875366 866806693 /nfs/dbraw/zinc/80/66/93/866806693.db2.gz OSWYRDNFFPDJFI-QTEQDKRBSA-N 2 1 398.595 3.829 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000444592091 866916529 /nfs/dbraw/zinc/91/65/29/866916529.db2.gz DZZQNSVHZSZEOM-SQNIBIBYSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000444592091 866916538 /nfs/dbraw/zinc/91/65/38/866916538.db2.gz DZZQNSVHZSZEOM-SQNIBIBYSA-N 2 1 383.540 3.661 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000534612073 867138548 /nfs/dbraw/zinc/13/85/48/867138548.db2.gz SBYBGFWYAYOZNY-ZRBLBEILSA-N 2 1 392.547 3.568 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314467 867153992 /nfs/dbraw/zinc/15/39/92/867153992.db2.gz MHSUJSQPJNONTC-CTNGQTDRSA-N 2 1 385.577 3.769 20 0 GHADMP Cc1cccc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)c1 ZINC000153966188 867180091 /nfs/dbraw/zinc/18/00/91/867180091.db2.gz LFBIGMJUHZKKFQ-XMMPIXPASA-N 2 1 385.596 3.755 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)c(N2CCCC2)[nH+]1 ZINC000857173979 882084323 /nfs/dbraw/zinc/08/43/23/882084323.db2.gz CSESLJPEFDXMDR-JOCHJYFZSA-N 2 1 392.547 3.729 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)c(N2CCCC2)[nH+]1 ZINC000857173979 882084341 /nfs/dbraw/zinc/08/43/41/882084341.db2.gz CSESLJPEFDXMDR-JOCHJYFZSA-N 2 1 392.547 3.729 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000133234535 882087413 /nfs/dbraw/zinc/08/74/13/882087413.db2.gz HDIYYSLLZQTMEU-VQTJNVASSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000133234535 882087421 /nfs/dbraw/zinc/08/74/21/882087421.db2.gz HDIYYSLLZQTMEU-VQTJNVASSA-N 2 1 392.975 3.505 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000857182790 882095492 /nfs/dbraw/zinc/09/54/92/882095492.db2.gz OWDAXMHAKCNUEG-CDNPAEQRSA-N 2 1 379.548 3.917 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)[nH+]c1 ZINC000171316969 882098560 /nfs/dbraw/zinc/09/85/60/882098560.db2.gz VKTBDWALSLIONE-NRFANRHFSA-N 2 1 398.595 3.721 20 0 GHADMP COCCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(Br)cc1 ZINC000154841541 867624868 /nfs/dbraw/zinc/62/48/68/867624868.db2.gz HXMDHBLEMGKIKW-IBGZPJMESA-N 2 1 399.373 3.617 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)o1 ZINC000523645308 867681943 /nfs/dbraw/zinc/68/19/43/867681943.db2.gz ONAPYBOEZZFPQZ-UYAOXDASSA-N 2 1 390.572 3.536 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(C)cc3)n2)[C@H](C)C1 ZINC000155111581 867755956 /nfs/dbraw/zinc/75/59/56/867755956.db2.gz QNVYKIKSIYZIBF-DENIHFKCSA-N 2 1 385.552 3.919 20 0 GHADMP Cc1cc2[nH]c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc2c(C)c1 ZINC000479440633 867759610 /nfs/dbraw/zinc/75/96/10/867759610.db2.gz WYQLDZGEMWFHJT-REWPJTCUSA-N 2 1 377.532 3.757 20 0 GHADMP Cc1cc2[nH]c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2c(C)c1 ZINC000479440633 867759625 /nfs/dbraw/zinc/75/96/25/867759625.db2.gz WYQLDZGEMWFHJT-REWPJTCUSA-N 2 1 377.532 3.757 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000479451739 867781605 /nfs/dbraw/zinc/78/16/05/867781605.db2.gz XUZBOFGZGQZTCS-XLIONFOSSA-N 2 1 381.520 3.826 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000479451739 867781614 /nfs/dbraw/zinc/78/16/14/867781614.db2.gz XUZBOFGZGQZTCS-XLIONFOSSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479465679 867810604 /nfs/dbraw/zinc/81/06/04/867810604.db2.gz XKRGKMNUFRNBIQ-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000155254727 867837882 /nfs/dbraw/zinc/83/78/82/867837882.db2.gz GTIQPBWFWKEMMM-GJYPPUQNSA-N 2 1 395.385 3.816 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484612 867852620 /nfs/dbraw/zinc/85/26/20/867852620.db2.gz IASLIJISBAYHIP-DENIHFKCSA-N 2 1 397.950 3.814 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000535018505 867939998 /nfs/dbraw/zinc/93/99/98/867939998.db2.gz KWLWPDVIRBOTOF-CVDCTZTESA-N 2 1 398.595 3.776 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000553805119 868256262 /nfs/dbraw/zinc/25/62/62/868256262.db2.gz UFJKPQVEAZKMSE-TXTKFYIRSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000671098682 868259189 /nfs/dbraw/zinc/25/91/89/868259189.db2.gz SHLUGJNGODTUFX-QTBVYMFASA-N 2 1 387.612 3.907 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc1F ZINC000857288931 882174189 /nfs/dbraw/zinc/17/41/89/882174189.db2.gz VRDBUVPULIQMJR-LJQANCHMSA-N 2 1 399.510 3.828 20 0 GHADMP C[N@H+]1C[C@@H](CNC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@H](c2ccccc2)C1 ZINC000857296383 882182101 /nfs/dbraw/zinc/18/21/01/882182101.db2.gz ZTCPGLJJFXKZNG-VXNXHJTFSA-N 2 1 391.559 3.571 20 0 GHADMP C[NH+]1C[C@@H](CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@H](c2ccccc2)C1 ZINC000857296383 882182109 /nfs/dbraw/zinc/18/21/09/882182109.db2.gz ZTCPGLJJFXKZNG-VXNXHJTFSA-N 2 1 391.559 3.571 20 0 GHADMP C[NH+]1C[C@@H](CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@H](c2ccccc2)C1 ZINC000857296383 882182115 /nfs/dbraw/zinc/18/21/15/882182115.db2.gz ZTCPGLJJFXKZNG-VXNXHJTFSA-N 2 1 391.559 3.571 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000156937501 868507182 /nfs/dbraw/zinc/50/71/82/868507182.db2.gz VSPNSWCSFBDMOW-UGKGYDQZSA-N 2 1 379.548 3.852 20 0 GHADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000553952803 868523330 /nfs/dbraw/zinc/52/33/30/868523330.db2.gz OUWNUPFNWLLERP-GEALJGNFSA-N 2 1 375.944 3.514 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH+](C)C2)cc1 ZINC000457673943 868596844 /nfs/dbraw/zinc/59/68/44/868596844.db2.gz ZQYCFVWECHPCJC-TZIWHRDSSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000457673943 868596855 /nfs/dbraw/zinc/59/68/55/868596855.db2.gz ZQYCFVWECHPCJC-TZIWHRDSSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000457673943 868596867 /nfs/dbraw/zinc/59/68/67/868596867.db2.gz ZQYCFVWECHPCJC-TZIWHRDSSA-N 2 1 386.584 3.592 20 0 GHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000479875447 868641883 /nfs/dbraw/zinc/64/18/83/868641883.db2.gz QQFBTRHRZZHVGY-PMOQBDJRSA-N 2 1 381.564 3.798 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC000508852090 869258216 /nfs/dbraw/zinc/25/82/16/869258216.db2.gz ITLKWHWNCYBOCR-UGKGYDQZSA-N 2 1 386.584 3.646 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000487519909 869338415 /nfs/dbraw/zinc/33/84/15/869338415.db2.gz RXNNPPHWJNUSMR-GCJKJVERSA-N 2 1 380.536 3.780 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1)Cc1ccccc1 ZINC000190966984 882323509 /nfs/dbraw/zinc/32/35/09/882323509.db2.gz AXQAXNKZGUXYTJ-HSZRJFAPSA-N 2 1 385.596 3.618 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC000524880081 869726210 /nfs/dbraw/zinc/72/62/10/869726210.db2.gz LDWOVKBDIWCIAQ-JTAQYXEDSA-N 2 1 385.596 3.661 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(N(C)CC)nc3)CC2)cs1 ZINC000190997199 882334878 /nfs/dbraw/zinc/33/48/78/882334878.db2.gz SXPCOMZCKWIZMG-UHFFFAOYSA-N 2 1 387.597 3.558 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000539863362 869915004 /nfs/dbraw/zinc/91/50/04/869915004.db2.gz XUZBUDJOSJMMEH-UHFFFAOYSA-N 2 1 384.593 3.801 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000446571623 870022162 /nfs/dbraw/zinc/02/21/62/870022162.db2.gz KEZNHYBYKIDWQY-OAQYLSRUSA-N 2 1 386.584 3.957 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446573297 870025244 /nfs/dbraw/zinc/02/52/44/870025244.db2.gz VYSTXARERKEUHQ-GHTZIAJQSA-N 2 1 380.536 3.748 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000133715943 882367924 /nfs/dbraw/zinc/36/79/24/882367924.db2.gz DXQNIBKBUOCZLO-KBXCAEBGSA-N 2 1 387.430 3.549 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)cc2)C[C@H](C)O1 ZINC000462796299 870101289 /nfs/dbraw/zinc/10/12/89/870101289.db2.gz MRTTXGLMZXGSRH-VKJMTUIMSA-N 2 1 386.580 3.981 20 0 GHADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000247991140 870257991 /nfs/dbraw/zinc/25/79/91/870257991.db2.gz JJPFGFMHUDTVPZ-FDDCHVKYSA-N 2 1 379.548 3.797 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000540044257 870296503 /nfs/dbraw/zinc/29/65/03/870296503.db2.gz RWZIEJRHSDHKRH-PMACEKPBSA-N 2 1 383.580 3.668 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000248177368 870310513 /nfs/dbraw/zinc/31/05/13/870310513.db2.gz VWCIURBQYSHPCK-GGAORHGYSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@H](NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397849 870371120 /nfs/dbraw/zinc/37/11/20/870371120.db2.gz IHBAADILYYUOOS-IEIRFRATSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248398652 870372880 /nfs/dbraw/zinc/37/28/80/870372880.db2.gz JBLWWUHDJYFIGU-AABGKKOBSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248398652 870372902 /nfs/dbraw/zinc/37/29/02/870372902.db2.gz JBLWWUHDJYFIGU-AABGKKOBSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398652 870372986 /nfs/dbraw/zinc/37/29/86/870372986.db2.gz JBLWWUHDJYFIGU-AABGKKOBSA-N 2 1 378.605 3.593 20 0 GHADMP Cn1c(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc2c1cccc2F ZINC000248413935 870393444 /nfs/dbraw/zinc/39/34/44/870393444.db2.gz LYQCELIHFPJCQK-SFHLNBCPSA-N 2 1 392.522 3.755 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000248461873 870437969 /nfs/dbraw/zinc/43/79/69/870437969.db2.gz XVZRHXXRCYOVFR-UTKZUKDTSA-N 2 1 384.520 3.511 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4ccc(C(C)C)cc4C3)CC2)CC1 ZINC000617608318 870515562 /nfs/dbraw/zinc/51/55/62/870515562.db2.gz RKIGCEQOGSIUDD-UHFFFAOYSA-N 2 1 397.607 3.891 20 0 GHADMP O=C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1c1ccccc1F ZINC000462972129 870574044 /nfs/dbraw/zinc/57/40/44/870574044.db2.gz YPTFRLOQSIQRMV-NCYKPQTJSA-N 2 1 393.506 3.716 20 0 GHADMP O=C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1c1ccccc1F ZINC000462972129 870574062 /nfs/dbraw/zinc/57/40/62/870574062.db2.gz YPTFRLOQSIQRMV-NCYKPQTJSA-N 2 1 393.506 3.716 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000248863068 870667332 /nfs/dbraw/zinc/66/73/32/870667332.db2.gz XSRNFYLJWYISLN-MSOLQXFVSA-N 2 1 388.581 3.971 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000248863068 870667359 /nfs/dbraw/zinc/66/73/59/870667359.db2.gz XSRNFYLJWYISLN-MSOLQXFVSA-N 2 1 388.581 3.971 20 0 GHADMP CC(C)[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000446964735 870781659 /nfs/dbraw/zinc/78/16/59/870781659.db2.gz CACZUOLCMWGYCH-FQEVSTJZSA-N 2 1 385.577 3.622 20 0 GHADMP CC(C)[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000446964735 870781667 /nfs/dbraw/zinc/78/16/67/870781667.db2.gz CACZUOLCMWGYCH-FQEVSTJZSA-N 2 1 385.577 3.622 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCc2ccccc2C1 ZINC000463067087 870817938 /nfs/dbraw/zinc/81/79/38/870817938.db2.gz GGWPUJPTHMAQBR-HXUWFJFHSA-N 2 1 395.566 3.869 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168824244 870876636 /nfs/dbraw/zinc/87/66/36/870876636.db2.gz OELLGGBZJOQJOL-GHTZIAJQSA-N 2 1 387.568 3.681 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168837101 870894041 /nfs/dbraw/zinc/89/40/41/870894041.db2.gz ZRBFBFXSZMVJJL-VBSBHUPXSA-N 2 1 388.556 3.551 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168840094 870899690 /nfs/dbraw/zinc/89/96/90/870899690.db2.gz QTGLSLRQBCXHCI-VBSBHUPXSA-N 2 1 388.556 3.551 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870565 870921511 /nfs/dbraw/zinc/92/15/11/870921511.db2.gz CVFMUIFRYYUADT-GIVPXCGWSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870565 870921516 /nfs/dbraw/zinc/92/15/16/870921516.db2.gz CVFMUIFRYYUADT-GIVPXCGWSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870565 870921520 /nfs/dbraw/zinc/92/15/20/870921520.db2.gz CVFMUIFRYYUADT-GIVPXCGWSA-N 2 1 387.568 3.838 20 0 GHADMP c1ccc(CC2CC[NH+](CCCN3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC001168924877 871013691 /nfs/dbraw/zinc/01/36/91/871013691.db2.gz JASQMDAIEWYMBX-UHFFFAOYSA-N 2 1 392.591 3.544 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1CC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169096816 871171689 /nfs/dbraw/zinc/17/16/89/871171689.db2.gz YTZBDRGIOXHBRR-LDLYASANSA-N 2 1 377.573 3.629 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169119797 871210478 /nfs/dbraw/zinc/21/04/78/871210478.db2.gz WGKAQKVNYLQUPN-BWTSREIZSA-N 2 1 381.486 3.666 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130383 871219350 /nfs/dbraw/zinc/21/93/50/871219350.db2.gz NIKNYMSHBXOVDX-ALGQRKQJSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000793930519 882489297 /nfs/dbraw/zinc/48/92/97/882489297.db2.gz YAFAZKVVYFDAKH-RKCKCALGSA-N 2 1 391.559 3.867 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000793930519 882489307 /nfs/dbraw/zinc/48/93/07/882489307.db2.gz YAFAZKVVYFDAKH-RKCKCALGSA-N 2 1 391.559 3.867 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCO1 ZINC000463240052 871238218 /nfs/dbraw/zinc/23/82/18/871238218.db2.gz HYFGJYSUYUVIPH-KRWDZBQOSA-N 2 1 397.966 3.534 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCO1 ZINC000463240052 871238230 /nfs/dbraw/zinc/23/82/30/871238230.db2.gz HYFGJYSUYUVIPH-KRWDZBQOSA-N 2 1 397.966 3.534 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463240048 871238350 /nfs/dbraw/zinc/23/83/50/871238350.db2.gz HWSZWXOQVAJZSX-DUXKGJEZSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463240048 871238359 /nfs/dbraw/zinc/23/83/59/871238359.db2.gz HWSZWXOQVAJZSX-DUXKGJEZSA-N 2 1 388.502 3.759 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154742 871267928 /nfs/dbraw/zinc/26/79/28/871267928.db2.gz TYIWAUUNITYRGS-LMCOJAPRSA-N 2 1 377.573 3.723 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154742 871267940 /nfs/dbraw/zinc/26/79/40/871267940.db2.gz TYIWAUUNITYRGS-LMCOJAPRSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154742 871267948 /nfs/dbraw/zinc/26/79/48/871267948.db2.gz TYIWAUUNITYRGS-LMCOJAPRSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154742 871267959 /nfs/dbraw/zinc/26/79/59/871267959.db2.gz TYIWAUUNITYRGS-LMCOJAPRSA-N 2 1 377.573 3.723 20 0 GHADMP CC[NH+]1CCC([N@@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169246693 871346430 /nfs/dbraw/zinc/34/64/30/871346430.db2.gz VAHFFEJQVJDHSM-NRFANRHFSA-N 2 1 399.579 3.807 20 0 GHADMP CC[NH+]1CCC([N@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169246693 871346449 /nfs/dbraw/zinc/34/64/49/871346449.db2.gz VAHFFEJQVJDHSM-NRFANRHFSA-N 2 1 399.579 3.807 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1(C)CCCCC1 ZINC000461971516 871389593 /nfs/dbraw/zinc/38/95/93/871389593.db2.gz MPLHLHYTCIVUOZ-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(SC)cc1OC ZINC000092066199 871421030 /nfs/dbraw/zinc/42/10/30/871421030.db2.gz IGYIKBLWFNHEMQ-CRAIPNDOSA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(SC)cc1OC ZINC000092066199 871421032 /nfs/dbraw/zinc/42/10/32/871421032.db2.gz IGYIKBLWFNHEMQ-CRAIPNDOSA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(SC)cc1OC ZINC000092066199 871421037 /nfs/dbraw/zinc/42/10/37/871421037.db2.gz IGYIKBLWFNHEMQ-CRAIPNDOSA-N 2 1 376.566 3.874 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC1)CC(C)C ZINC000539170053 871456183 /nfs/dbraw/zinc/45/61/83/871456183.db2.gz NXVWDKAORKXSDS-QFIPXVFZSA-N 2 1 394.648 3.896 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1)CC(C)C ZINC000539170053 871456188 /nfs/dbraw/zinc/45/61/88/871456188.db2.gz NXVWDKAORKXSDS-QFIPXVFZSA-N 2 1 394.648 3.896 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1)CC(C)C ZINC000539170053 871456194 /nfs/dbraw/zinc/45/61/94/871456194.db2.gz NXVWDKAORKXSDS-QFIPXVFZSA-N 2 1 394.648 3.896 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000462030444 871510289 /nfs/dbraw/zinc/51/02/89/871510289.db2.gz JFHNWCBYXAJVAO-QHCPKHFHSA-N 2 1 386.511 3.819 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000525834524 871521221 /nfs/dbraw/zinc/52/12/21/871521221.db2.gz MDSOYRSYIYEMGH-OWCLPIDISA-N 2 1 375.504 3.747 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001194222300 871565224 /nfs/dbraw/zinc/56/52/24/871565224.db2.gz QYAJOCGQLAWNAZ-GBXCKJPGSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC=C(c2ccccc2)C1 ZINC001194222300 871565241 /nfs/dbraw/zinc/56/52/41/871565241.db2.gz QYAJOCGQLAWNAZ-GBXCKJPGSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC=C(c2ccccc2)C1 ZINC001194222300 871565257 /nfs/dbraw/zinc/56/52/57/871565257.db2.gz QYAJOCGQLAWNAZ-GBXCKJPGSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC=C(c2ccccc2)C1 ZINC001194222300 871565267 /nfs/dbraw/zinc/56/52/67/871565267.db2.gz QYAJOCGQLAWNAZ-GBXCKJPGSA-N 2 1 389.543 3.555 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC001169553886 871633657 /nfs/dbraw/zinc/63/36/57/871633657.db2.gz GAXCBPHDWFQMMM-QFBILLFUSA-N 2 1 388.474 3.854 20 0 GHADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000539307574 871703947 /nfs/dbraw/zinc/70/39/47/871703947.db2.gz NIPAUJVUKSIKMF-SCLBCKFNSA-N 2 1 399.398 3.668 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC001169736653 871833233 /nfs/dbraw/zinc/83/32/33/871833233.db2.gz TWAOTRPWKLTRSX-FGZHOGPDSA-N 2 1 385.596 3.723 20 0 GHADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821541 871849635 /nfs/dbraw/zinc/84/96/35/871849635.db2.gz WXRATFZFUIOGIV-LJQANCHMSA-N 2 1 386.584 3.800 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821430 871850132 /nfs/dbraw/zinc/85/01/32/871850132.db2.gz XCBPVSNURWXLTQ-VAMGGRTRSA-N 2 1 386.584 3.798 20 0 GHADMP Cc1occc1C(=O)NC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000093010371 871905731 /nfs/dbraw/zinc/90/57/31/871905731.db2.gz SMIOBCTUZLHGJZ-UHFFFAOYSA-N 2 1 397.563 3.940 20 0 GHADMP Cc1occc1C(=O)NC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093010371 871905739 /nfs/dbraw/zinc/90/57/39/871905739.db2.gz SMIOBCTUZLHGJZ-UHFFFAOYSA-N 2 1 397.563 3.940 20 0 GHADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552065679 871968759 /nfs/dbraw/zinc/96/87/59/871968759.db2.gz JXWIATDOMJTPOX-TUNNFDKTSA-N 2 1 384.568 3.704 20 0 GHADMP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552065679 871968768 /nfs/dbraw/zinc/96/87/68/871968768.db2.gz JXWIATDOMJTPOX-TUNNFDKTSA-N 2 1 384.568 3.704 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCCC4(C2)OCCO4)CC3)c1 ZINC001169946129 872047934 /nfs/dbraw/zinc/04/79/34/872047934.db2.gz VYMDVOTXRHCIPN-SFHVURJKSA-N 2 1 376.566 3.722 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CC[C@H]3CCCC[NH+]3C)C2)s1 ZINC000552135436 872079085 /nfs/dbraw/zinc/07/90/85/872079085.db2.gz NOLWLWTURLOBCY-RTBURBONSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)s1 ZINC000552135436 872079106 /nfs/dbraw/zinc/07/91/06/872079106.db2.gz NOLWLWTURLOBCY-RTBURBONSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)CC[C@H]3CCCC[N@H+]3C)C2)s1 ZINC000552135436 872079127 /nfs/dbraw/zinc/07/91/27/872079127.db2.gz NOLWLWTURLOBCY-RTBURBONSA-N 2 1 377.598 3.601 20 0 GHADMP CC(C)C[C@H]([NH2+][C@@H](C)c1cc(Cl)sc1Cl)C(=O)NCC[NH+](C)C ZINC000540744871 872089444 /nfs/dbraw/zinc/08/94/44/872089444.db2.gz WOPVCEAXUFMPQP-AAEUAGOBSA-N 2 1 380.385 3.798 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093337015 872093047 /nfs/dbraw/zinc/09/30/47/872093047.db2.gz VHXGBLGVAFMQRY-UGKGYDQZSA-N 2 1 396.531 3.581 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000093337015 872093066 /nfs/dbraw/zinc/09/30/66/872093066.db2.gz VHXGBLGVAFMQRY-UGKGYDQZSA-N 2 1 396.531 3.581 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000093337015 872093084 /nfs/dbraw/zinc/09/30/84/872093084.db2.gz VHXGBLGVAFMQRY-UGKGYDQZSA-N 2 1 396.531 3.581 20 0 GHADMP CCC[N@H+](Cc1cccc(OC)c1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417564 872166844 /nfs/dbraw/zinc/16/68/44/872166844.db2.gz MJELFBWGGJOLOD-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP CCC[N@@H+](Cc1cccc(OC)c1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417564 872166858 /nfs/dbraw/zinc/16/68/58/872166858.db2.gz MJELFBWGGJOLOD-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP O=C(C[N@@H+]1CC[C@@H](C2CCC2)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195146104 872199467 /nfs/dbraw/zinc/19/94/67/872199467.db2.gz BLEPSKCMWWOVIX-WIYYLYMNSA-N 2 1 389.971 3.715 20 0 GHADMP O=C(C[N@H+]1CC[C@@H](C2CCC2)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195146104 872199474 /nfs/dbraw/zinc/19/94/74/872199474.db2.gz BLEPSKCMWWOVIX-WIYYLYMNSA-N 2 1 389.971 3.715 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000447732832 872217490 /nfs/dbraw/zinc/21/74/90/872217490.db2.gz YGCGUDOQIGAVRK-HXUWFJFHSA-N 2 1 383.536 3.833 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000093769443 872407876 /nfs/dbraw/zinc/40/78/76/872407876.db2.gz HVYAKMSPZNAZSV-UHFFFAOYSA-N 2 1 388.531 3.786 20 0 GHADMP Fc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000152778073 872859800 /nfs/dbraw/zinc/85/98/00/872859800.db2.gz AJQVIOTYELHDEG-NRFANRHFSA-N 2 1 381.539 3.949 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000448213440 873059287 /nfs/dbraw/zinc/05/92/87/873059287.db2.gz MHRDCUKIKUPTNK-SFHLNBCPSA-N 2 1 390.616 3.545 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000448213440 873059296 /nfs/dbraw/zinc/05/92/96/873059296.db2.gz MHRDCUKIKUPTNK-SFHLNBCPSA-N 2 1 390.616 3.545 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000448213440 873059309 /nfs/dbraw/zinc/05/93/09/873059309.db2.gz MHRDCUKIKUPTNK-SFHLNBCPSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)nc1Cl ZINC001196394366 873072736 /nfs/dbraw/zinc/07/27/36/873072736.db2.gz XOHMSMRWTKLNKR-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)nc1Cl ZINC001196394366 873072753 /nfs/dbraw/zinc/07/27/53/873072753.db2.gz XOHMSMRWTKLNKR-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)nc1Cl ZINC001196394366 873072769 /nfs/dbraw/zinc/07/27/69/873072769.db2.gz XOHMSMRWTKLNKR-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)nc1Cl ZINC001196394366 873072783 /nfs/dbraw/zinc/07/27/83/873072783.db2.gz XOHMSMRWTKLNKR-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP C[C@@H](NC(=O)CN1CCC(CCCn2ccnc2)CC1)c1ccc(Cl)cc1 ZINC000541201319 873126543 /nfs/dbraw/zinc/12/65/43/873126543.db2.gz MLBPNYCFQXDMDH-QGZVFWFLSA-N 2 1 388.943 3.906 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000552753196 873130602 /nfs/dbraw/zinc/13/06/02/873130602.db2.gz UXXWPZNEABRCSO-UHFFFAOYSA-N 2 1 383.536 3.860 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000448260150 873137829 /nfs/dbraw/zinc/13/78/29/873137829.db2.gz JQDAXBFNKKNIDX-QHAWAJNXSA-N 2 1 395.551 3.531 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000768201309 873138772 /nfs/dbraw/zinc/13/87/72/873138772.db2.gz SFYFIQZTLUCPMO-MRXNPFEDSA-N 2 1 399.539 3.701 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448449340 873400517 /nfs/dbraw/zinc/40/05/17/873400517.db2.gz PYQOLIVJXHEINM-PTUXOGIPSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448449340 873400524 /nfs/dbraw/zinc/40/05/24/873400524.db2.gz PYQOLIVJXHEINM-PTUXOGIPSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448449340 873400533 /nfs/dbraw/zinc/40/05/33/873400533.db2.gz PYQOLIVJXHEINM-PTUXOGIPSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448449340 873400539 /nfs/dbraw/zinc/40/05/39/873400539.db2.gz PYQOLIVJXHEINM-PTUXOGIPSA-N 2 1 399.554 3.656 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000527660168 873411025 /nfs/dbraw/zinc/41/10/25/873411025.db2.gz DCYPVMZJIYGBKZ-DNVCBOLYSA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000527660168 873411032 /nfs/dbraw/zinc/41/10/32/873411032.db2.gz DCYPVMZJIYGBKZ-DNVCBOLYSA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000527660165 873411289 /nfs/dbraw/zinc/41/12/89/873411289.db2.gz DCYPVMZJIYGBKZ-BEFAXECRSA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000527660165 873411298 /nfs/dbraw/zinc/41/12/98/873411298.db2.gz DCYPVMZJIYGBKZ-BEFAXECRSA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000527660173 873412703 /nfs/dbraw/zinc/41/27/03/873412703.db2.gz DCYPVMZJIYGBKZ-KXBFYZLASA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000527660173 873412712 /nfs/dbraw/zinc/41/27/12/873412712.db2.gz DCYPVMZJIYGBKZ-KXBFYZLASA-N 2 1 388.474 3.941 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935049 873456734 /nfs/dbraw/zinc/45/67/34/873456734.db2.gz FLPCIPRKCOGRIO-KRWDZBQOSA-N 2 1 386.323 3.650 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935049 873456739 /nfs/dbraw/zinc/45/67/39/873456739.db2.gz FLPCIPRKCOGRIO-KRWDZBQOSA-N 2 1 386.323 3.650 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527762353 873537033 /nfs/dbraw/zinc/53/70/33/873537033.db2.gz ZKCQMFQLGVIAQJ-CVDCTZTESA-N 2 1 398.595 3.918 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000921230865 882744700 /nfs/dbraw/zinc/74/47/00/882744700.db2.gz GLJLVERIECQYOG-FQEVSTJZSA-N 2 1 398.595 3.812 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527846867 873703659 /nfs/dbraw/zinc/70/36/59/873703659.db2.gz GMOXXORGIJOIKO-SFHVURJKSA-N 2 1 378.520 3.878 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000527846856 873703821 /nfs/dbraw/zinc/70/38/21/873703821.db2.gz GMOXXORGIJOIKO-GOSISDBHSA-N 2 1 378.520 3.878 20 0 GHADMP C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899382 873735038 /nfs/dbraw/zinc/73/50/38/873735038.db2.gz VGVCNMXKRZBBKE-CHWSQXEVSA-N 2 1 391.300 3.879 20 0 GHADMP COc1ccc(C2CCC([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000541542022 873798458 /nfs/dbraw/zinc/79/84/58/873798458.db2.gz ICBKXWQTLSFKHH-GCKKQHTFSA-N 2 1 394.559 3.948 20 0 GHADMP COc1ccc(C2CCC([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000541542022 873798467 /nfs/dbraw/zinc/79/84/67/873798467.db2.gz ICBKXWQTLSFKHH-GCKKQHTFSA-N 2 1 394.559 3.948 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3Cc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882002 882763591 /nfs/dbraw/zinc/76/35/91/882763591.db2.gz HBKJVHJAHGVVFC-QHCPKHFHSA-N 2 1 376.544 3.672 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494667741 882781166 /nfs/dbraw/zinc/78/11/66/882781166.db2.gz KGTOZQIGYCBJNN-KPFFTGBYSA-N 2 1 397.485 3.737 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528106505 874028243 /nfs/dbraw/zinc/02/82/43/874028243.db2.gz LRQZBPXYRYWHFW-XZOQPEGZSA-N 2 1 394.563 3.636 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528106505 874028260 /nfs/dbraw/zinc/02/82/60/874028260.db2.gz LRQZBPXYRYWHFW-XZOQPEGZSA-N 2 1 394.563 3.636 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000464563555 874082751 /nfs/dbraw/zinc/08/27/51/874082751.db2.gz MCGYZBOPGXOZGP-NFBKMPQASA-N 2 1 385.596 3.520 20 0 GHADMP CN1CCC([NH+]2CCC(NC3CC[NH+](C(C)(C)CC(C)(C)C)CC3)CC2)CC1 ZINC000449107431 874480607 /nfs/dbraw/zinc/48/06/07/874480607.db2.gz MMBFTEQRJSODSC-UHFFFAOYSA-N 2 1 392.676 3.814 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449150446 874538793 /nfs/dbraw/zinc/53/87/93/874538793.db2.gz RELFUHDILKMMGI-PREGVCBESA-N 2 1 399.348 3.661 20 0 GHADMP O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000770324268 874598969 /nfs/dbraw/zinc/59/89/69/874598969.db2.gz MYQVYBURUBALBP-IFMALSPDSA-N 2 1 384.520 3.842 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC001199038635 874769651 /nfs/dbraw/zinc/76/96/51/874769651.db2.gz UOPDITWRAGVTAS-UHFFFAOYSA-N 2 1 396.487 3.840 20 0 GHADMP CCC[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494298 874950935 /nfs/dbraw/zinc/95/09/35/874950935.db2.gz GPPSVSCBEDZSBR-UPVQGACJSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494298 874950944 /nfs/dbraw/zinc/95/09/44/874950944.db2.gz GPPSVSCBEDZSBR-UPVQGACJSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494298 874950953 /nfs/dbraw/zinc/95/09/53/874950953.db2.gz GPPSVSCBEDZSBR-UPVQGACJSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494298 874950959 /nfs/dbraw/zinc/95/09/59/874950959.db2.gz GPPSVSCBEDZSBR-UPVQGACJSA-N 2 1 385.596 3.837 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507238 874972099 /nfs/dbraw/zinc/97/20/99/874972099.db2.gz SURIZDNGHYKXNS-ISKFKSNPSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507238 874972110 /nfs/dbraw/zinc/97/21/10/874972110.db2.gz SURIZDNGHYKXNS-ISKFKSNPSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507238 874972124 /nfs/dbraw/zinc/97/21/24/874972124.db2.gz SURIZDNGHYKXNS-ISKFKSNPSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507238 874972130 /nfs/dbraw/zinc/97/21/30/874972130.db2.gz SURIZDNGHYKXNS-ISKFKSNPSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000449512002 874977428 /nfs/dbraw/zinc/97/74/28/874977428.db2.gz ZCIBXOCVLVCDFN-URXFXBBRSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000449512002 874977431 /nfs/dbraw/zinc/97/74/31/874977431.db2.gz ZCIBXOCVLVCDFN-URXFXBBRSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000449512002 874977434 /nfs/dbraw/zinc/97/74/34/874977434.db2.gz ZCIBXOCVLVCDFN-URXFXBBRSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000449512002 874977436 /nfs/dbraw/zinc/97/74/36/874977436.db2.gz ZCIBXOCVLVCDFN-URXFXBBRSA-N 2 1 385.596 3.522 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@@H]3/C=C\c3cccs3)cn2)CC1 ZINC000542177790 875123716 /nfs/dbraw/zinc/12/37/16/875123716.db2.gz XUHGOSLFSBWYGB-ZTBDEIDFSA-N 2 1 397.592 3.748 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@@H]3/C=C\c3cccs3)cn2)CC1 ZINC000542177790 875123720 /nfs/dbraw/zinc/12/37/20/875123720.db2.gz XUHGOSLFSBWYGB-ZTBDEIDFSA-N 2 1 397.592 3.748 20 0 GHADMP CC[C@H](C)C[NH+]1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001201502086 875722484 /nfs/dbraw/zinc/72/24/84/875722484.db2.gz GHAFCPPJBIBUTL-LEWJYISDSA-N 2 1 397.607 3.718 20 0 GHADMP CSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000450229732 876125743 /nfs/dbraw/zinc/12/57/43/876125743.db2.gz XSOBENGUKKRDPX-LEWJYISDSA-N 2 1 389.609 3.818 20 0 GHADMP Cc1[nH+]ccc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1Cl ZINC000492123161 876288984 /nfs/dbraw/zinc/28/89/84/876288984.db2.gz WBYZGXNPZGIKLQ-UHFFFAOYSA-N 2 1 389.927 3.567 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccsc3C(F)(F)F)CC2)CC1 ZINC000529540744 876293674 /nfs/dbraw/zinc/29/36/74/876293674.db2.gz HUYIPVBLKPCYQB-UHFFFAOYSA-N 2 1 375.504 3.616 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000450343709 876296485 /nfs/dbraw/zinc/29/64/85/876296485.db2.gz FNOXVLBQVYHXCF-UHFFFAOYSA-N 2 1 381.520 3.602 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000192777789 883016207 /nfs/dbraw/zinc/01/62/07/883016207.db2.gz UUEQGVONFSTMSH-HXUWFJFHSA-N 2 1 394.003 3.847 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C4CC4)C[C@H](C)C3)c2c1C ZINC000450543788 876587469 /nfs/dbraw/zinc/58/74/69/876587469.db2.gz KZJXTIPIORLRPC-HNNXBMFYSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C4CC4)C[C@H](C)C3)c2c1C ZINC000450543788 876587477 /nfs/dbraw/zinc/58/74/77/876587477.db2.gz KZJXTIPIORLRPC-HNNXBMFYSA-N 2 1 399.608 3.824 20 0 GHADMP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000450648883 876728264 /nfs/dbraw/zinc/72/82/64/876728264.db2.gz IPDCIDISSRGGBS-HXUWFJFHSA-N 2 1 396.531 3.699 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850439116 876922162 /nfs/dbraw/zinc/92/21/62/876922162.db2.gz YRLILGXRQVQTOJ-SFHVURJKSA-N 2 1 394.441 3.597 20 0 GHADMP COC[C@H](CC1CCOCC1)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000850456839 876940281 /nfs/dbraw/zinc/94/02/81/876940281.db2.gz IULAPSLJJNWNQS-QFIPXVFZSA-N 2 1 389.584 3.708 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000174431797 877022204 /nfs/dbraw/zinc/02/22/04/877022204.db2.gz FGULNBGHQCLPPV-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850574697 877039817 /nfs/dbraw/zinc/03/98/17/877039817.db2.gz IKQXYBSJHRFTSW-UGKGYDQZSA-N 2 1 392.547 3.607 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000152154750 877057415 /nfs/dbraw/zinc/05/74/15/877057415.db2.gz YZZVWZBJLBHKOD-GOSISDBHSA-N 2 1 393.597 3.807 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000152154750 877057430 /nfs/dbraw/zinc/05/74/30/877057430.db2.gz YZZVWZBJLBHKOD-GOSISDBHSA-N 2 1 393.597 3.807 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)cc(Cl)c1 ZINC000787024673 877100315 /nfs/dbraw/zinc/10/03/15/877100315.db2.gz IFDUGHRKNOBAIP-NRFANRHFSA-N 2 1 376.903 3.809 20 0 GHADMP c1cc([C@H]2CCC[N@H+](CCOCC[NH+]3CCC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000451008526 877224225 /nfs/dbraw/zinc/22/42/25/877224225.db2.gz XQLUYQDWNWQFSC-PSWAGMNNSA-N 2 1 394.563 3.552 20 0 GHADMP c1cc([C@H]2CCC[NH+](CCOCC[N@@H+]3CCC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000451008526 877224241 /nfs/dbraw/zinc/22/42/41/877224241.db2.gz XQLUYQDWNWQFSC-PSWAGMNNSA-N 2 1 394.563 3.552 20 0 GHADMP c1cc([C@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000451008526 877224260 /nfs/dbraw/zinc/22/42/60/877224260.db2.gz XQLUYQDWNWQFSC-PSWAGMNNSA-N 2 1 394.563 3.552 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000477223801 877238466 /nfs/dbraw/zinc/23/84/66/877238466.db2.gz RMZUFJNFOMZIGH-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248568 877331497 /nfs/dbraw/zinc/33/14/97/877331497.db2.gz MSDZTMPEEJCBDJ-INIZCTEOSA-N 2 1 376.850 3.949 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080054686 877432652 /nfs/dbraw/zinc/43/26/52/877432652.db2.gz UVOSXZFHIPPGMX-HKUYNNGSSA-N 2 1 386.584 3.648 20 0 GHADMP C[C@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000615445517 877744732 /nfs/dbraw/zinc/74/47/32/877744732.db2.gz QFYIGFCPJGJSRI-LJQANCHMSA-N 2 1 383.580 3.546 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)o1 ZINC000245387803 877776604 /nfs/dbraw/zinc/77/66/04/877776604.db2.gz AJKCFNMSRPTWOV-UYAOXDASSA-N 2 1 390.572 3.679 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000175766350 877892625 /nfs/dbraw/zinc/89/26/25/877892625.db2.gz VJFLBZOEBMULJS-JOCHJYFZSA-N 2 1 397.567 3.744 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000537721584 878192582 /nfs/dbraw/zinc/19/25/82/878192582.db2.gz JFEQNMDZRYXKJG-OALUTQOASA-N 2 1 397.485 3.785 20 0 GHADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000530626426 878222872 /nfs/dbraw/zinc/22/28/72/878222872.db2.gz ATNBOYICNXOFFZ-DEOSSOPVSA-N 2 1 377.532 3.534 20 0 GHADMP CNC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000530626426 878222878 /nfs/dbraw/zinc/22/28/78/878222878.db2.gz ATNBOYICNXOFFZ-DEOSSOPVSA-N 2 1 377.532 3.534 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000530626426 878222894 /nfs/dbraw/zinc/22/28/94/878222894.db2.gz ATNBOYICNXOFFZ-DEOSSOPVSA-N 2 1 377.532 3.534 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000530626426 878222911 /nfs/dbraw/zinc/22/29/11/878222911.db2.gz ATNBOYICNXOFFZ-DEOSSOPVSA-N 2 1 377.532 3.534 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000615892918 878231486 /nfs/dbraw/zinc/23/14/86/878231486.db2.gz LWIKYORCGZOZNU-UHFFFAOYSA-N 2 1 398.595 3.688 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1 ZINC000245670613 878334341 /nfs/dbraw/zinc/33/43/41/878334341.db2.gz HIDPNEOKRNFIFG-MMVMTREESA-N 2 1 395.547 3.901 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1cccc(C(F)(F)F)c1 ZINC000530826734 878598993 /nfs/dbraw/zinc/59/89/93/878598993.db2.gz GVMHJQSXHVEFHC-LPHOPBHVSA-N 2 1 399.501 3.889 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245878188 878688932 /nfs/dbraw/zinc/68/89/32/878688932.db2.gz MXDUZWIBXRVTEM-PMACEKPBSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245878188 878688937 /nfs/dbraw/zinc/68/89/37/878688937.db2.gz MXDUZWIBXRVTEM-PMACEKPBSA-N 2 1 392.975 3.601 20 0 GHADMP O=C1CCCN1c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000238070292 878707837 /nfs/dbraw/zinc/70/78/37/878707837.db2.gz RGLKUPCSEBLXOJ-UHFFFAOYSA-N 2 1 377.532 3.610 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000530902331 878717263 /nfs/dbraw/zinc/71/72/63/878717263.db2.gz FSYMOKGPBSVAPR-QHCPKHFHSA-N 2 1 382.548 3.900 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000538043356 878750415 /nfs/dbraw/zinc/75/04/15/878750415.db2.gz LOSNTTCYBFLFCI-KDURUIRLSA-N 2 1 394.987 3.863 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000538043356 878750432 /nfs/dbraw/zinc/75/04/32/878750432.db2.gz LOSNTTCYBFLFCI-KDURUIRLSA-N 2 1 394.987 3.863 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000538046267 878759320 /nfs/dbraw/zinc/75/93/20/878759320.db2.gz UDHWNHIRSGROCF-BGYRXZFFSA-N 2 1 382.548 3.930 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000538046267 878759333 /nfs/dbraw/zinc/75/93/33/878759333.db2.gz UDHWNHIRSGROCF-BGYRXZFFSA-N 2 1 382.548 3.930 20 0 GHADMP Cc1ccc2c(C)cc(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)[nH+]c2c1 ZINC000460966254 878878685 /nfs/dbraw/zinc/87/86/85/878878685.db2.gz HUWSPQXUXPNAQQ-UHFFFAOYSA-N 2 1 375.516 3.842 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001183282658 912396541 /nfs/dbraw/zinc/39/65/41/912396541.db2.gz WEPFNOUEKDTGOD-UYAOXDASSA-N 2 1 389.584 3.895 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241663 878927271 /nfs/dbraw/zinc/92/72/71/878927271.db2.gz WTOFIUOEWDWBPK-RLLQIKCJSA-N 2 1 379.589 3.734 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000531047569 879010526 /nfs/dbraw/zinc/01/05/26/879010526.db2.gz BCDADQZGRDFZIZ-YJBOKZPZSA-N 2 1 385.474 3.546 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000246201791 879192454 /nfs/dbraw/zinc/19/24/54/879192454.db2.gz MUEKYQSBULDCNO-VBSBHUPXSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000776689328 879214468 /nfs/dbraw/zinc/21/44/68/879214468.db2.gz UFGCFDGJLRZVCG-YLJYHZDGSA-N 2 1 393.597 3.978 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000776689328 879214484 /nfs/dbraw/zinc/21/44/84/879214484.db2.gz UFGCFDGJLRZVCG-YLJYHZDGSA-N 2 1 393.597 3.978 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000531142564 879230055 /nfs/dbraw/zinc/23/00/55/879230055.db2.gz KNUPJWFBEYJZHW-INIZCTEOSA-N 2 1 388.508 3.830 20 0 GHADMP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246404878 879522086 /nfs/dbraw/zinc/52/20/86/879522086.db2.gz UHSUEHJGBRWMMQ-SFHLNBCPSA-N 2 1 388.600 3.657 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000246477816 879597125 /nfs/dbraw/zinc/59/71/25/879597125.db2.gz LCNBIOBWYNEFEP-YMPZKCBVSA-N 2 1 398.595 3.699 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CCO1 ZINC000538507314 879626605 /nfs/dbraw/zinc/62/66/05/879626605.db2.gz WDHJSFVYNFFCCP-MNHFLQJXSA-N 2 1 388.596 3.989 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246534538 879662104 /nfs/dbraw/zinc/66/21/04/879662104.db2.gz XZTNXRWXMRBUDW-UYAOXDASSA-N 2 1 392.613 3.552 20 0 GHADMP CCOc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000246800023 879806987 /nfs/dbraw/zinc/80/69/87/879806987.db2.gz QSNYRAXSLHJGEZ-DLBZAZTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000246800023 879807000 /nfs/dbraw/zinc/80/70/00/879807000.db2.gz QSNYRAXSLHJGEZ-DLBZAZTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000246800023 879807012 /nfs/dbraw/zinc/80/70/12/879807012.db2.gz QSNYRAXSLHJGEZ-DLBZAZTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCC(F)(F)F ZINC000246800023 879807020 /nfs/dbraw/zinc/80/70/20/879807020.db2.gz QSNYRAXSLHJGEZ-DLBZAZTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000246800023 879807031 /nfs/dbraw/zinc/80/70/31/879807031.db2.gz QSNYRAXSLHJGEZ-DLBZAZTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139884763 879825750 /nfs/dbraw/zinc/82/57/50/879825750.db2.gz MPGSZTJASWIWSL-UTKZUKDTSA-N 2 1 381.520 3.636 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000247006934 879880927 /nfs/dbraw/zinc/88/09/27/879880927.db2.gz LXNMDFJQESTDGB-CVEARBPZSA-N 2 1 396.373 3.876 20 0 GHADMP C[C@H]1[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000494068283 879890588 /nfs/dbraw/zinc/89/05/88/879890588.db2.gz GEQSHQDBQDQTCF-RDPSFJRHSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247031138 879892577 /nfs/dbraw/zinc/89/25/77/879892577.db2.gz LHTPRAGWFVRTCI-GPMSIDNRSA-N 2 1 391.357 3.677 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247031138 879892596 /nfs/dbraw/zinc/89/25/96/879892596.db2.gz LHTPRAGWFVRTCI-GPMSIDNRSA-N 2 1 391.357 3.677 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247046925 879898083 /nfs/dbraw/zinc/89/80/83/879898083.db2.gz ZEEPEUSAWUKDCR-LSWJPFSZSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000247046925 879898096 /nfs/dbraw/zinc/89/80/96/879898096.db2.gz ZEEPEUSAWUKDCR-LSWJPFSZSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000247046925 879898107 /nfs/dbraw/zinc/89/81/07/879898107.db2.gz ZEEPEUSAWUKDCR-LSWJPFSZSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247046925 879898118 /nfs/dbraw/zinc/89/81/18/879898118.db2.gz ZEEPEUSAWUKDCR-LSWJPFSZSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247046925 879898136 /nfs/dbraw/zinc/89/81/36/879898136.db2.gz ZEEPEUSAWUKDCR-LSWJPFSZSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247046925 879898148 /nfs/dbraw/zinc/89/81/48/879898148.db2.gz ZEEPEUSAWUKDCR-LSWJPFSZSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247046925 879898168 /nfs/dbraw/zinc/89/81/68/879898168.db2.gz ZEEPEUSAWUKDCR-LSWJPFSZSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000247123211 879922676 /nfs/dbraw/zinc/92/26/76/879922676.db2.gz YYYFZGNDHMALES-VAMGGRTRSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000247123211 879922683 /nfs/dbraw/zinc/92/26/83/879922683.db2.gz YYYFZGNDHMALES-VAMGGRTRSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[NH+]1C ZINC000247123211 879922688 /nfs/dbraw/zinc/92/26/88/879922688.db2.gz YYYFZGNDHMALES-VAMGGRTRSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[NH+]1C ZINC000247123211 879922692 /nfs/dbraw/zinc/92/26/92/879922692.db2.gz YYYFZGNDHMALES-VAMGGRTRSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357605 879979330 /nfs/dbraw/zinc/97/93/30/879979330.db2.gz YMQMSIYPCDRRHF-PTRHGPIFSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc2ccccc2c1 ZINC000247357605 879979337 /nfs/dbraw/zinc/97/93/37/879979337.db2.gz YMQMSIYPCDRRHF-PTRHGPIFSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc2ccccc2c1 ZINC000247357605 879979355 /nfs/dbraw/zinc/97/93/55/879979355.db2.gz YMQMSIYPCDRRHF-PTRHGPIFSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357605 879979373 /nfs/dbraw/zinc/97/93/73/879979373.db2.gz YMQMSIYPCDRRHF-PTRHGPIFSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357605 879979384 /nfs/dbraw/zinc/97/93/84/879979384.db2.gz YMQMSIYPCDRRHF-PTRHGPIFSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182852651 880030184 /nfs/dbraw/zinc/03/01/84/880030184.db2.gz DPILPQBTDGSPBH-WPYKKVEZSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182852651 880030197 /nfs/dbraw/zinc/03/01/97/880030197.db2.gz DPILPQBTDGSPBH-WPYKKVEZSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182852651 880030212 /nfs/dbraw/zinc/03/02/12/880030212.db2.gz DPILPQBTDGSPBH-WPYKKVEZSA-N 2 1 383.580 3.810 20 0 GHADMP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247659689 880041693 /nfs/dbraw/zinc/04/16/93/880041693.db2.gz XJJSXVGSBZWWDJ-MOPGFXCFSA-N 2 1 380.374 3.612 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183152736 880062980 /nfs/dbraw/zinc/06/29/80/880062980.db2.gz OWJPOCCFZWJGNQ-BHIFYINESA-N 2 1 395.547 3.598 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000643207371 912549628 /nfs/dbraw/zinc/54/96/28/912549628.db2.gz PHFCNBXFOBQGJM-PKTZIBPZSA-N 2 1 392.547 3.522 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000643207371 912549640 /nfs/dbraw/zinc/54/96/40/912549640.db2.gz PHFCNBXFOBQGJM-PKTZIBPZSA-N 2 1 392.547 3.522 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(F)c1 ZINC000531677456 880306698 /nfs/dbraw/zinc/30/66/98/880306698.db2.gz DJSSUDVYSRUKBX-BEFAXECRSA-N 2 1 377.529 3.535 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677645 880306919 /nfs/dbraw/zinc/30/69/19/880306919.db2.gz DUSQWYVSOZZWMU-LEWJYISDSA-N 2 1 385.577 3.712 20 0 GHADMP CN(C)C(=O)c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453066986 880387587 /nfs/dbraw/zinc/38/75/87/880387587.db2.gz IWPJSIQWZREJMQ-WXFUMESZSA-N 2 1 391.559 3.921 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453066986 880387594 /nfs/dbraw/zinc/38/75/94/880387594.db2.gz IWPJSIQWZREJMQ-WXFUMESZSA-N 2 1 391.559 3.921 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453066986 880387602 /nfs/dbraw/zinc/38/76/02/880387602.db2.gz IWPJSIQWZREJMQ-WXFUMESZSA-N 2 1 391.559 3.921 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000453110933 880480684 /nfs/dbraw/zinc/48/06/84/880480684.db2.gz PAZKJCBOYSDPCX-UHRQBARKSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000453110933 880480690 /nfs/dbraw/zinc/48/06/90/880480690.db2.gz PAZKJCBOYSDPCX-UHRQBARKSA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]3CCC[C@H]32)cc1 ZINC000453110933 880480693 /nfs/dbraw/zinc/48/06/93/880480693.db2.gz PAZKJCBOYSDPCX-UHRQBARKSA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc2c(c1)COC21CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643251113 912574561 /nfs/dbraw/zinc/57/45/61/912574561.db2.gz LGDVZMCNQFWBKO-UHFFFAOYSA-N 2 1 378.516 3.540 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(-c2ccccc2)nn1C ZINC000453226331 880647613 /nfs/dbraw/zinc/64/76/13/880647613.db2.gz NNDDLUIIIYRRMA-GOSISDBHSA-N 2 1 393.535 3.663 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531932265 880783609 /nfs/dbraw/zinc/78/36/09/880783609.db2.gz APAXTJSBXSIICY-NQIIRXRSSA-N 2 1 387.593 3.656 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000531955768 880818204 /nfs/dbraw/zinc/81/82/04/880818204.db2.gz GNZNERKDRXRJOG-XYJFISCASA-N 2 1 385.508 3.709 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000531955768 880818210 /nfs/dbraw/zinc/81/82/10/880818210.db2.gz GNZNERKDRXRJOG-XYJFISCASA-N 2 1 385.508 3.709 20 0 GHADMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000186317456 880851887 /nfs/dbraw/zinc/85/18/87/880851887.db2.gz DKVHXACREUMTKB-UHFFFAOYSA-N 2 1 398.551 3.651 20 0 GHADMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000186317456 880851903 /nfs/dbraw/zinc/85/19/03/880851903.db2.gz DKVHXACREUMTKB-UHFFFAOYSA-N 2 1 398.551 3.651 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)C[C@H](C)O1 ZINC000119666308 881089638 /nfs/dbraw/zinc/08/96/38/881089638.db2.gz WDVNXFSUEBBTDC-HOTGVXAUSA-N 2 1 375.488 3.678 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@H](C)C1 ZINC000187243683 881119965 /nfs/dbraw/zinc/11/99/65/881119965.db2.gz QPUGPRFJFBCRBU-AUSIDOKSSA-N 2 1 397.563 3.984 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@H](C)C1 ZINC000187243683 881119974 /nfs/dbraw/zinc/11/99/74/881119974.db2.gz QPUGPRFJFBCRBU-AUSIDOKSSA-N 2 1 397.563 3.984 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)[C@H](C)C1 ZINC000119817797 881168388 /nfs/dbraw/zinc/16/83/88/881168388.db2.gz FKMHMPUCDLTWJZ-NQIIRXRSSA-N 2 1 375.557 3.508 20 0 GHADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(c2)OCCO4)CC3)cc1 ZINC000537623090 881188515 /nfs/dbraw/zinc/18/85/15/881188515.db2.gz VANGYSQGGWFDGN-UHFFFAOYSA-N 2 1 378.516 3.946 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000760525196 883143300 /nfs/dbraw/zinc/14/33/00/883143300.db2.gz BSUDWTOYIXWTOP-JOCHJYFZSA-N 2 1 395.547 3.552 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000760525196 883143305 /nfs/dbraw/zinc/14/33/05/883143305.db2.gz BSUDWTOYIXWTOP-JOCHJYFZSA-N 2 1 395.547 3.552 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000460527549 883175545 /nfs/dbraw/zinc/17/55/45/883175545.db2.gz NYGONLASAUTTNC-LNLFQRSKSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000460527549 883175554 /nfs/dbraw/zinc/17/55/54/883175554.db2.gz NYGONLASAUTTNC-LNLFQRSKSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000460527549 883175561 /nfs/dbraw/zinc/17/55/61/883175561.db2.gz NYGONLASAUTTNC-LNLFQRSKSA-N 2 1 380.602 3.551 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000476822828 883215053 /nfs/dbraw/zinc/21/50/53/883215053.db2.gz UNMIQRLALAJENE-QGQMOVRQSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476822828 883215068 /nfs/dbraw/zinc/21/50/68/883215068.db2.gz UNMIQRLALAJENE-QGQMOVRQSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000476822828 883215084 /nfs/dbraw/zinc/21/50/84/883215084.db2.gz UNMIQRLALAJENE-QGQMOVRQSA-N 2 1 398.595 3.602 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@@H]1c1ccccc1 ZINC000551197036 883471035 /nfs/dbraw/zinc/47/10/35/883471035.db2.gz MNDAWZVUSLHYTG-NMLBUPMWSA-N 2 1 382.508 3.592 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@@H]1c1ccccc1 ZINC000551197036 883471040 /nfs/dbraw/zinc/47/10/40/883471040.db2.gz MNDAWZVUSLHYTG-NMLBUPMWSA-N 2 1 382.508 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000476967671 883491528 /nfs/dbraw/zinc/49/15/28/883491528.db2.gz BKGHUMRMOZRWOI-FQEVSTJZSA-N 2 1 383.580 3.548 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@H]2CCCO2)cc1 ZINC000643548489 912732457 /nfs/dbraw/zinc/73/24/57/912732457.db2.gz QCTHMLYFZVUPTI-KURKYZTESA-N 2 1 379.342 3.934 20 0 GHADMP Cc1cccc(C2(Nc3ccc4c(c3)[nH+]cn4[C@H]3CCC[NH2+]CC3)COC2)c1 ZINC001168469652 883681511 /nfs/dbraw/zinc/68/15/11/883681511.db2.gz CMEQFWTZVBPQHE-FQEVSTJZSA-N 2 1 376.504 3.997 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859255555 883697016 /nfs/dbraw/zinc/69/70/16/883697016.db2.gz OFTRHVMRLZCMFI-NQIIRXRSSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859255555 883697025 /nfs/dbraw/zinc/69/70/25/883697025.db2.gz OFTRHVMRLZCMFI-NQIIRXRSSA-N 2 1 387.568 3.744 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000666172131 883779821 /nfs/dbraw/zinc/77/98/21/883779821.db2.gz ICRUGMLDIRFBBL-AYOQOUSVSA-N 2 1 381.358 3.991 20 0 GHADMP CCC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000551386787 883779990 /nfs/dbraw/zinc/77/99/90/883779990.db2.gz DCSAIPQLADLBFG-GPJHCHHRSA-N 2 1 386.580 3.803 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000194768729 883928336 /nfs/dbraw/zinc/92/83/36/883928336.db2.gz TXYYPXYSWCTLAY-UHFFFAOYSA-N 2 1 379.548 3.921 20 0 GHADMP C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465448015 884055345 /nfs/dbraw/zinc/05/53/45/884055345.db2.gz KOWFEOXZJJZGRL-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP COCCN(C)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000191304382 884172773 /nfs/dbraw/zinc/17/27/73/884172773.db2.gz DZMLJPCZKAMRLT-QGZVFWFLSA-N 2 1 379.508 3.509 20 0 GHADMP Cc1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)c2[nH]ccc21 ZINC001170496177 884283729 /nfs/dbraw/zinc/28/37/29/884283729.db2.gz NUACZENVYKVKKR-WWDZGPRUSA-N 2 1 376.504 3.848 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177091 884381605 /nfs/dbraw/zinc/38/16/05/884381605.db2.gz LRUPSGJSAGCIDW-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177091 884381626 /nfs/dbraw/zinc/38/16/26/884381626.db2.gz LRUPSGJSAGCIDW-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177091 884381661 /nfs/dbraw/zinc/38/16/61/884381661.db2.gz LRUPSGJSAGCIDW-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177089 884382241 /nfs/dbraw/zinc/38/22/41/884382241.db2.gz LRUPSGJSAGCIDW-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177089 884382259 /nfs/dbraw/zinc/38/22/59/884382259.db2.gz LRUPSGJSAGCIDW-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177089 884382284 /nfs/dbraw/zinc/38/22/84/884382284.db2.gz LRUPSGJSAGCIDW-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170500700 884403208 /nfs/dbraw/zinc/40/32/08/884403208.db2.gz ZBRMDEONKIRTLW-NFSXTHTRSA-N 2 1 379.589 3.827 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000806156757 884412889 /nfs/dbraw/zinc/41/28/89/884412889.db2.gz JMOGXHKTHCLCOR-PKOBYXMFSA-N 2 1 385.474 3.986 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000537489763 884633414 /nfs/dbraw/zinc/63/34/14/884633414.db2.gz ONLMUYPYFNLSQO-FQEVSTJZSA-N 2 1 386.584 3.688 20 0 GHADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448673 885508469 /nfs/dbraw/zinc/50/84/69/885508469.db2.gz JADDDWQINGUGJR-NQIIRXRSSA-N 2 1 387.568 3.652 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655768650 885532179 /nfs/dbraw/zinc/53/21/79/885532179.db2.gz LDNQGLRDKBZJIU-FQEVSTJZSA-N 2 1 378.495 3.932 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655768650 885532189 /nfs/dbraw/zinc/53/21/89/885532189.db2.gz LDNQGLRDKBZJIU-FQEVSTJZSA-N 2 1 378.495 3.932 20 0 GHADMP COc1cccc(N2C[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2=O)c1 ZINC000532488523 885823431 /nfs/dbraw/zinc/82/34/31/885823431.db2.gz HBPQBDRBZBKGTI-QFBILLFUSA-N 2 1 390.487 3.645 20 0 GHADMP C[NH+](C)C1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001168318796 886147448 /nfs/dbraw/zinc/14/74/48/886147448.db2.gz GTXJPRNZAYZCEI-MHJFOBGBSA-N 3 1 391.625 3.676 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)c2cccs2)CC1 ZINC000454160371 886340960 /nfs/dbraw/zinc/34/09/60/886340960.db2.gz VOXJIXMICNGJAH-IBGZPJMESA-N 2 1 392.613 3.695 20 0 GHADMP Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000118970509 886373844 /nfs/dbraw/zinc/37/38/44/886373844.db2.gz PEYIAFSRAXGNST-ZCYQVOJMSA-N 2 1 396.575 3.924 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(-n3cncn3)c2)CC1 ZINC000556867387 886385507 /nfs/dbraw/zinc/38/55/07/886385507.db2.gz JJNGLVNQXFHMOZ-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCc4ccccc43)cc2)CC1 ZINC000476527281 886812450 /nfs/dbraw/zinc/81/24/50/886812450.db2.gz SXWVVHCOBLIRBE-HSZRJFAPSA-N 2 1 377.532 3.632 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000237740420 886984684 /nfs/dbraw/zinc/98/46/84/886984684.db2.gz DBIDFIFFCSRLIU-KRWDZBQOSA-N 2 1 377.536 3.798 20 0 GHADMP CC(C)(C)OC(=O)N(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000809594872 887603578 /nfs/dbraw/zinc/60/35/78/887603578.db2.gz BVTDBXFDMQVKIM-MJGOQNOKSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000809594872 887603582 /nfs/dbraw/zinc/60/35/82/887603582.db2.gz BVTDBXFDMQVKIM-MJGOQNOKSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000809594872 887603586 /nfs/dbraw/zinc/60/35/86/887603586.db2.gz BVTDBXFDMQVKIM-MJGOQNOKSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000809594872 887603589 /nfs/dbraw/zinc/60/35/89/887603589.db2.gz BVTDBXFDMQVKIM-MJGOQNOKSA-N 2 1 379.589 3.971 20 0 GHADMP O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054220592 887917004 /nfs/dbraw/zinc/91/70/04/887917004.db2.gz CHUXDTQEVQETJP-UHFFFAOYSA-N 2 1 383.561 3.522 20 0 GHADMP O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000054220592 887917047 /nfs/dbraw/zinc/91/70/47/887917047.db2.gz CHUXDTQEVQETJP-UHFFFAOYSA-N 2 1 383.561 3.522 20 0 GHADMP COC(=O)Cc1cc(NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc[nH+]1 ZINC001170590886 888027819 /nfs/dbraw/zinc/02/78/19/888027819.db2.gz ZSFJWKKCQRBYFG-KRWDZBQOSA-N 2 1 382.291 3.819 20 0 GHADMP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184408891 913206527 /nfs/dbraw/zinc/20/65/27/913206527.db2.gz YOOMELDANCCSHH-GOSISDBHSA-N 2 1 396.922 3.787 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](N(CC[NH+]3CCCC3)Cc3ccncc3)C2)cc1 ZINC000794801468 888070982 /nfs/dbraw/zinc/07/09/82/888070982.db2.gz AYUWMYBCTBOSDK-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000120473742 888277460 /nfs/dbraw/zinc/27/74/60/888277460.db2.gz REHPQBHYYVLJFG-OAQYLSRUSA-N 2 1 376.903 3.809 20 0 GHADMP CC(C)(C)OC(=O)Nc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000865405597 888324593 /nfs/dbraw/zinc/32/45/93/888324593.db2.gz NMLZIJDONSPEIL-UHFFFAOYSA-N 2 1 397.523 3.709 20 0 GHADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000459374634 888369784 /nfs/dbraw/zinc/36/97/84/888369784.db2.gz VHMURVWYTFWGKJ-INIZCTEOSA-N 2 1 388.531 3.677 20 0 GHADMP Cn1cc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2cccnc21 ZINC000865812217 888590481 /nfs/dbraw/zinc/59/04/81/888590481.db2.gz MBYZHRLEONSBTE-UHFFFAOYSA-N 2 1 380.511 3.552 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237114705 888687041 /nfs/dbraw/zinc/68/70/41/888687041.db2.gz BNXFODGMAKJNRN-PXNSSMCTSA-N 2 1 397.485 3.594 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000729684644 888703402 /nfs/dbraw/zinc/70/34/02/888703402.db2.gz VEEGHCDSYHUCJK-UHFFFAOYSA-N 2 1 385.527 3.522 20 0 GHADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000528962272 888747207 /nfs/dbraw/zinc/74/72/07/888747207.db2.gz CLBDKWDVQSKITL-OAQYLSRUSA-N 2 1 384.524 3.610 20 0 GHADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000528962272 888747225 /nfs/dbraw/zinc/74/72/25/888747225.db2.gz CLBDKWDVQSKITL-OAQYLSRUSA-N 2 1 384.524 3.610 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717918 888794330 /nfs/dbraw/zinc/79/43/30/888794330.db2.gz GDKLKOLJPPAQSU-AUSIDOKSSA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717918 888794334 /nfs/dbraw/zinc/79/43/34/888794334.db2.gz GDKLKOLJPPAQSU-AUSIDOKSSA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717918 888794340 /nfs/dbraw/zinc/79/43/40/888794340.db2.gz GDKLKOLJPPAQSU-AUSIDOKSSA-N 2 1 389.559 3.616 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)c1 ZINC000061908083 888839913 /nfs/dbraw/zinc/83/99/13/888839913.db2.gz RNHJYTWZNGSJCQ-UHFFFAOYSA-N 2 1 396.579 3.978 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000061908083 888839921 /nfs/dbraw/zinc/83/99/21/888839921.db2.gz RNHJYTWZNGSJCQ-UHFFFAOYSA-N 2 1 396.579 3.978 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000061908083 888839937 /nfs/dbraw/zinc/83/99/37/888839937.db2.gz RNHJYTWZNGSJCQ-UHFFFAOYSA-N 2 1 396.579 3.978 20 0 GHADMP Cc1cccc(Oc2ccc(NC(=O)C[NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000532921115 889335701 /nfs/dbraw/zinc/33/57/01/889335701.db2.gz SMWPJEMXEUFOMJ-UHFFFAOYSA-N 2 1 381.520 3.999 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000868183902 889340602 /nfs/dbraw/zinc/34/06/02/889340602.db2.gz VJYHIEMLCAXTAP-YPVJZLTNSA-N 2 1 378.520 3.676 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(C)C)cc1Cl ZINC000644523963 913336114 /nfs/dbraw/zinc/33/61/14/913336114.db2.gz CZYWOYWTXWIMGV-KZNAEPCWSA-N 2 1 380.960 3.728 20 0 GHADMP C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454594029 889347933 /nfs/dbraw/zinc/34/79/33/889347933.db2.gz AGLIJAQCSLIHRS-HXUWFJFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000454599278 889358476 /nfs/dbraw/zinc/35/84/76/889358476.db2.gz PCNJKSYBZGWIRK-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530495 913343392 /nfs/dbraw/zinc/34/33/92/913343392.db2.gz AMYQKCUDUSEDDD-HXUWFJFHSA-N 2 1 383.511 3.965 20 0 GHADMP CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000532976310 889440904 /nfs/dbraw/zinc/44/09/04/889440904.db2.gz DXPDGMGBBDDHAH-GOSISDBHSA-N 2 1 375.582 3.686 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000123923512 889446766 /nfs/dbraw/zinc/44/67/66/889446766.db2.gz FEVSJGJZPFZWNP-CEXWTWQISA-N 2 1 387.568 3.576 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000869007987 889713849 /nfs/dbraw/zinc/71/38/49/889713849.db2.gz LGTATQWLPAIPDS-XVJXYWBYSA-N 2 1 392.613 3.693 20 0 GHADMP Cc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1F ZINC000124884750 889803084 /nfs/dbraw/zinc/80/30/84/889803084.db2.gz JVXYXPDPTLITPJ-PMACEKPBSA-N 2 1 375.532 3.543 20 0 GHADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000124997769 889841741 /nfs/dbraw/zinc/84/17/41/889841741.db2.gz LPMGCWPFVMEDEO-IBGZPJMESA-N 2 1 395.547 3.761 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125125133 889881988 /nfs/dbraw/zinc/88/19/88/889881988.db2.gz PBOOLHFKVQJOFC-CVEARBPZSA-N 2 1 391.357 3.849 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000533275045 890147089 /nfs/dbraw/zinc/14/70/89/890147089.db2.gz LOCZJMKIYUJEAC-UHFFFAOYSA-N 2 1 399.966 3.800 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC000917039569 890761747 /nfs/dbraw/zinc/76/17/47/890761747.db2.gz IZZXWVMAPDOOHP-OAQYLSRUSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC000917039569 890761766 /nfs/dbraw/zinc/76/17/66/890761766.db2.gz IZZXWVMAPDOOHP-OAQYLSRUSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC000917039569 890761774 /nfs/dbraw/zinc/76/17/74/890761774.db2.gz IZZXWVMAPDOOHP-OAQYLSRUSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2Cc3ccccc3[C@H](C)C2)CC1 ZINC000917039569 890761788 /nfs/dbraw/zinc/76/17/88/890761788.db2.gz IZZXWVMAPDOOHP-OAQYLSRUSA-N 2 1 391.559 3.649 20 0 GHADMP CN(C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000533563202 890852753 /nfs/dbraw/zinc/85/27/53/890852753.db2.gz CJJOHIHGXQOANU-QGZVFWFLSA-N 2 1 383.355 3.580 20 0 GHADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(Br)cc2)s1 ZINC000533563202 890852767 /nfs/dbraw/zinc/85/27/67/890852767.db2.gz CJJOHIHGXQOANU-QGZVFWFLSA-N 2 1 383.355 3.580 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000812721151 890898519 /nfs/dbraw/zinc/89/85/19/890898519.db2.gz KYBLPRLNWVKGGZ-UYAOXDASSA-N 2 1 397.604 3.501 20 0 GHADMP [NH3+]C1(Cc2nc(-c3ccc4[nH]ccc4c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872173882 891197221 /nfs/dbraw/zinc/19/72/21/891197221.db2.gz VVYREUBVIIXKAJ-UHFFFAOYSA-N 2 1 387.487 3.754 20 0 GHADMP [NH3+]C1(Cc2nc(-c3ccc4ncccc4c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872175557 891199007 /nfs/dbraw/zinc/19/90/07/891199007.db2.gz JWMATILLDXYHBF-UHFFFAOYSA-N 2 1 399.498 3.821 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000128010614 891361528 /nfs/dbraw/zinc/36/15/28/891361528.db2.gz QURCWTQBFJIYNK-FPOVZHCZSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000128010614 891361539 /nfs/dbraw/zinc/36/15/39/891361539.db2.gz QURCWTQBFJIYNK-FPOVZHCZSA-N 2 1 395.547 3.504 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325420 891488005 /nfs/dbraw/zinc/48/80/05/891488005.db2.gz DKZFTTYBZIFYRK-AZUAARDMSA-N 2 1 375.557 3.964 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1OCc1ccccc1 ZINC000128293849 891595045 /nfs/dbraw/zinc/59/50/45/891595045.db2.gz CDBGQVCKUNBUTQ-OAQYLSRUSA-N 2 1 381.564 3.944 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000813871956 892054813 /nfs/dbraw/zinc/05/48/13/892054813.db2.gz WRXZFCBDNHMQLT-NTKDMRAZSA-N 2 1 379.548 3.951 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261788422 892114946 /nfs/dbraw/zinc/11/49/46/892114946.db2.gz KCJOTVDOHOWZHZ-MDYRTPRTSA-N 2 1 397.485 3.594 20 0 GHADMP CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000666833381 892355908 /nfs/dbraw/zinc/35/59/08/892355908.db2.gz BWCWPURFZHVOAG-HNNXBMFYSA-N 2 1 384.952 3.521 20 0 GHADMP CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000666833381 892355927 /nfs/dbraw/zinc/35/59/27/892355927.db2.gz BWCWPURFZHVOAG-HNNXBMFYSA-N 2 1 384.952 3.521 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547046 892464526 /nfs/dbraw/zinc/46/45/26/892464526.db2.gz SXPPYUPAFQAQLV-PMACEKPBSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000497948781 892823178 /nfs/dbraw/zinc/82/31/78/892823178.db2.gz HFLHIAJHTZLZJV-OAQYLSRUSA-N 2 1 385.939 3.969 20 0 GHADMP C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712609 892828929 /nfs/dbraw/zinc/82/89/29/892828929.db2.gz DEYJIBQJRHNVMG-XLIONFOSSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@H]([NH2+]CCCN1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711883 892830934 /nfs/dbraw/zinc/83/09/34/892830934.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711883 892830956 /nfs/dbraw/zinc/83/09/56/892830956.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711883 892830977 /nfs/dbraw/zinc/83/09/77/892830977.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@H](NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508711883 892830997 /nfs/dbraw/zinc/83/09/97/892830997.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@H](NCCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711883 892831014 /nfs/dbraw/zinc/83/10/14/892831014.db2.gz PPMLHCMFLQAKFO-URXFXBBRSA-N 3 1 377.576 3.935 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721361 892966781 /nfs/dbraw/zinc/96/67/81/892966781.db2.gz PGDSUKXRHRGTRL-NZQKXSOJSA-N 2 1 393.575 3.966 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000129274362 893214040 /nfs/dbraw/zinc/21/40/40/893214040.db2.gz BLUDSVBWULTBBV-GOSISDBHSA-N 2 1 397.567 3.514 20 0 GHADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000876719750 893301008 /nfs/dbraw/zinc/30/10/08/893301008.db2.gz UIFFUYMHPVWYII-RXVVDRJESA-N 2 1 395.551 3.743 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509696174 893330506 /nfs/dbraw/zinc/33/05/06/893330506.db2.gz HYQXEFSXUWHHMQ-BJKOFHAPSA-N 2 1 398.639 3.785 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000536697009 893565155 /nfs/dbraw/zinc/56/51/55/893565155.db2.gz ITGACQKTOSGDFS-UHFFFAOYSA-N 2 1 384.568 3.751 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC12CCC2 ZINC000536713192 893588273 /nfs/dbraw/zinc/58/82/73/893588273.db2.gz JZGSMZHNBSGZKK-GOSISDBHSA-N 2 1 387.593 3.686 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)C1 ZINC000815202728 893597841 /nfs/dbraw/zinc/59/78/41/893597841.db2.gz YZEROCISUWLRBL-VQTJNVASSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639765 /nfs/dbraw/zinc/63/97/65/893639765.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639769 /nfs/dbraw/zinc/63/97/69/893639769.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639774 /nfs/dbraw/zinc/63/97/74/893639774.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 2 1 377.576 3.976 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639780 /nfs/dbraw/zinc/63/97/80/893639780.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 2 1 377.576 3.976 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075991 893639785 /nfs/dbraw/zinc/63/97/85/893639785.db2.gz GYJJCDMFPHSMJB-ZKMPZPQNSA-N 2 1 377.576 3.976 20 0 GHADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551555 893683662 /nfs/dbraw/zinc/68/36/62/893683662.db2.gz FUSDWSDFWJMRBK-ROUUACIJSA-N 2 1 383.363 3.699 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc4nc(Cl)ccc4s3)cc2)C1 ZINC000877623919 893726647 /nfs/dbraw/zinc/72/66/47/893726647.db2.gz FEFPSCLGHBLRSL-INIZCTEOSA-N 2 1 387.936 3.806 20 0 GHADMP CCn1nncc1C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459525412 893728642 /nfs/dbraw/zinc/72/86/42/893728642.db2.gz NAUTWKKVBIOBSX-HSZRJFAPSA-N 2 1 381.568 3.955 20 0 GHADMP Fc1ccc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2COc3ccccc3O2)cc1 ZINC000459555297 893799620 /nfs/dbraw/zinc/79/96/20/893799620.db2.gz HABIEQSBVZQEFN-ZJSXRUAMSA-N 2 1 396.506 3.793 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cnn1-c1cc(C)ccc1C ZINC000536845908 893924711 /nfs/dbraw/zinc/92/47/11/893924711.db2.gz PAGVDXRJZGXECA-KUWBRRTOSA-N 2 1 396.579 3.826 20 0 GHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000536829906 893940040 /nfs/dbraw/zinc/94/00/40/893940040.db2.gz AIKDZZWGWQACGT-CTNGQTDRSA-N 2 1 389.584 3.562 20 0 GHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000536829906 893940049 /nfs/dbraw/zinc/94/00/49/893940049.db2.gz AIKDZZWGWQACGT-CTNGQTDRSA-N 2 1 389.584 3.562 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000563621657 893983361 /nfs/dbraw/zinc/98/33/61/893983361.db2.gz AUSLGEUKYXIDIV-JYAXBFRTSA-N 2 1 379.548 3.727 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159982 894058362 /nfs/dbraw/zinc/05/83/62/894058362.db2.gz CERHPDRETANDNA-ISKFKSNPSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159982 894058371 /nfs/dbraw/zinc/05/83/71/894058371.db2.gz CERHPDRETANDNA-ISKFKSNPSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159982 894058389 /nfs/dbraw/zinc/05/83/89/894058389.db2.gz CERHPDRETANDNA-ISKFKSNPSA-N 2 1 384.564 3.560 20 0 GHADMP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536936499 894120493 /nfs/dbraw/zinc/12/04/93/894120493.db2.gz WRTCQEOWKUNUOZ-ZACQAIPSSA-N 2 1 382.495 3.616 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000459743998 894166849 /nfs/dbraw/zinc/16/68/49/894166849.db2.gz XKUGFDXEQWOIRA-AWEZNQCLSA-N 2 1 377.330 3.661 20 0 GHADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1c(C)noc1C ZINC000459743236 894169139 /nfs/dbraw/zinc/16/91/39/894169139.db2.gz WZOQVSOGGWRJML-SFHVURJKSA-N 2 1 387.524 3.701 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCCC1 ZINC001135269824 894300888 /nfs/dbraw/zinc/30/08/88/894300888.db2.gz WCLNHDQESHVXSL-OAQYLSRUSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000460183952 894822488 /nfs/dbraw/zinc/82/24/88/894822488.db2.gz HTNHSFAHVOKKDN-SFHVURJKSA-N 2 1 377.598 3.588 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000816451147 894839511 /nfs/dbraw/zinc/83/95/11/894839511.db2.gz IDQBBCXAHKYXDR-ZWCUEREDSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000816451147 894839529 /nfs/dbraw/zinc/83/95/29/894839529.db2.gz IDQBBCXAHKYXDR-ZWCUEREDSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000816451147 894839541 /nfs/dbraw/zinc/83/95/41/894839541.db2.gz IDQBBCXAHKYXDR-ZWCUEREDSA-N 2 1 376.516 3.653 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000564434587 894979297 /nfs/dbraw/zinc/97/92/97/894979297.db2.gz DMLNEZMHFPQAER-NRFANRHFSA-N 2 1 380.532 3.949 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC000816642288 894987236 /nfs/dbraw/zinc/98/72/36/894987236.db2.gz VHRCEXDIOHTSMG-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC000816642288 894987241 /nfs/dbraw/zinc/98/72/41/894987241.db2.gz VHRCEXDIOHTSMG-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC000816642288 894987248 /nfs/dbraw/zinc/98/72/48/894987248.db2.gz VHRCEXDIOHTSMG-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC000816642288 894987253 /nfs/dbraw/zinc/98/72/53/894987253.db2.gz VHRCEXDIOHTSMG-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000564499700 895038981 /nfs/dbraw/zinc/03/89/81/895038981.db2.gz XEIBJFSNFBXLRP-QHCPKHFHSA-N 2 1 383.536 3.680 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1)c1ccc(C)cc1 ZINC000564970695 895336466 /nfs/dbraw/zinc/33/64/66/895336466.db2.gz MUMBFHUDAQZCBW-OALUTQOASA-N 2 1 398.576 3.958 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1)c1ccc(C)cc1 ZINC000564970695 895336480 /nfs/dbraw/zinc/33/64/80/895336480.db2.gz MUMBFHUDAQZCBW-OALUTQOASA-N 2 1 398.576 3.958 20 0 GHADMP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000564988664 895338751 /nfs/dbraw/zinc/33/87/51/895338751.db2.gz MWLWDAOLYLEMSD-JTAQYXEDSA-N 2 1 393.531 3.697 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049901 895370130 /nfs/dbraw/zinc/37/01/30/895370130.db2.gz UGDJKKRSIGHQKQ-TZIWHRDSSA-N 2 1 399.604 3.558 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000565188770 895450574 /nfs/dbraw/zinc/45/05/74/895450574.db2.gz OUCWTTSCSJRQNG-MZYLBHOOSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000565188770 895450584 /nfs/dbraw/zinc/45/05/84/895450584.db2.gz OUCWTTSCSJRQNG-MZYLBHOOSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000565188770 895450591 /nfs/dbraw/zinc/45/05/91/895450591.db2.gz OUCWTTSCSJRQNG-MZYLBHOOSA-N 2 1 383.580 3.622 20 0 GHADMP O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000817275210 895460215 /nfs/dbraw/zinc/46/02/15/895460215.db2.gz XTGUURLJWXVHQO-NHCUHLMSSA-N 2 1 386.561 3.668 20 0 GHADMP O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000817275210 895460225 /nfs/dbraw/zinc/46/02/25/895460225.db2.gz XTGUURLJWXVHQO-NHCUHLMSSA-N 2 1 386.561 3.668 20 0 GHADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275107 895460311 /nfs/dbraw/zinc/46/03/11/895460311.db2.gz WBDYPRGQKPQKIC-BJKOFHAPSA-N 2 1 380.532 3.607 20 0 GHADMP O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275107 895460319 /nfs/dbraw/zinc/46/03/19/895460319.db2.gz WBDYPRGQKPQKIC-BJKOFHAPSA-N 2 1 380.532 3.607 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000289017400 914000727 /nfs/dbraw/zinc/00/07/27/914000727.db2.gz AMLROHICXBUUPY-HOCLYGCPSA-N 2 1 386.483 3.510 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000289017400 914000741 /nfs/dbraw/zinc/00/07/41/914000741.db2.gz AMLROHICXBUUPY-HOCLYGCPSA-N 2 1 386.483 3.510 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000289017400 914000747 /nfs/dbraw/zinc/00/07/47/914000747.db2.gz AMLROHICXBUUPY-HOCLYGCPSA-N 2 1 386.483 3.510 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000289017400 914000760 /nfs/dbraw/zinc/00/07/60/914000760.db2.gz AMLROHICXBUUPY-HOCLYGCPSA-N 2 1 386.483 3.510 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000566187010 896161302 /nfs/dbraw/zinc/16/13/02/896161302.db2.gz NOGLGNWRPDZFNS-UHFFFAOYSA-N 2 1 377.532 3.534 20 0 GHADMP Cc1sc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000566244703 896195075 /nfs/dbraw/zinc/19/50/75/896195075.db2.gz WZBWUOGFVPBWBU-LBPRGKRZSA-N 2 1 392.956 3.770 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818959656 896296245 /nfs/dbraw/zinc/29/62/45/896296245.db2.gz PVSZBROWRAWQNA-RDTXWAMCSA-N 2 1 387.337 3.723 20 0 GHADMP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000645786901 914064592 /nfs/dbraw/zinc/06/45/92/914064592.db2.gz IIALGTZXKHWRRQ-UNMCSNQZSA-N 2 1 379.548 3.741 20 0 GHADMP Cc1cccn2cc(CC(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)nc12 ZINC000566712149 896513551 /nfs/dbraw/zinc/51/35/51/896513551.db2.gz VSGZCYAJVZMDMB-NRFANRHFSA-N 2 1 390.531 3.604 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275666 896561541 /nfs/dbraw/zinc/56/15/41/896561541.db2.gz ZWIJBODQUHFYCP-XLIONFOSSA-N 2 1 394.437 3.730 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000567121001 896890227 /nfs/dbraw/zinc/89/02/27/896890227.db2.gz VVUPKCDMNGIXOU-WIYYLYMNSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000567121001 896890238 /nfs/dbraw/zinc/89/02/38/896890238.db2.gz VVUPKCDMNGIXOU-WIYYLYMNSA-N 2 1 385.939 3.581 20 0 GHADMP CC(C)C[C@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000567135379 896901493 /nfs/dbraw/zinc/90/14/93/896901493.db2.gz NQPKOENNMDVTQA-AZUAARDMSA-N 2 1 397.567 3.784 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)CC1 ZINC000567148070 896914340 /nfs/dbraw/zinc/91/43/40/896914340.db2.gz BLJNUEHQEAUSJM-KRWDZBQOSA-N 2 1 391.353 3.889 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c4c(nn3C)CCSC4)cc2)C1 ZINC000882890381 897077622 /nfs/dbraw/zinc/07/76/22/897077622.db2.gz WMBYPMKXOCHPOI-KRWDZBQOSA-N 2 1 384.593 3.731 20 0 GHADMP Brc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000567739591 897371149 /nfs/dbraw/zinc/37/11/49/897371149.db2.gz XLGYABRMGIEOHM-GASCZTMLSA-N 2 1 376.298 3.536 20 0 GHADMP C[C@H]([NH2+]C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOCC1)c1ccccc1 ZINC000820810985 897539275 /nfs/dbraw/zinc/53/92/75/897539275.db2.gz IQSKMWGGBRNEAG-PHUUTRGPSA-N 2 1 383.580 3.634 20 0 GHADMP COc1cccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000820810291 897539328 /nfs/dbraw/zinc/53/93/28/897539328.db2.gz UDQHGCADZSHXTH-PQFKCJEGSA-N 2 1 380.532 3.904 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000569028892 898285617 /nfs/dbraw/zinc/28/56/17/898285617.db2.gz NAKDEUVCXVVLSY-RXVVDRJESA-N 2 1 389.609 3.782 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CCc4cccc(F)c4C3)CC[C@@H]21 ZINC001170983738 898289089 /nfs/dbraw/zinc/28/90/89/898289089.db2.gz AEVVFWAMADZOJE-YOEKFXIASA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CCc4cccc(F)c4C3)CC[C@@H]21 ZINC001170983738 898289102 /nfs/dbraw/zinc/28/91/02/898289102.db2.gz AEVVFWAMADZOJE-YOEKFXIASA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CCc4cccc(F)c4C3)CC[C@@H]21 ZINC001170983738 898289115 /nfs/dbraw/zinc/28/91/15/898289115.db2.gz AEVVFWAMADZOJE-YOEKFXIASA-N 2 1 396.554 3.753 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4CCn5cc[nH+]c5C4)n3)cc2)CC1 ZINC000569035933 898291003 /nfs/dbraw/zinc/29/10/03/898291003.db2.gz QOVJAFUTIUJTLH-IBGZPJMESA-N 2 1 377.492 3.895 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)C1 ZINC001136635574 898663483 /nfs/dbraw/zinc/66/34/83/898663483.db2.gz SKDZJHZUHOKQDP-CTNGQTDRSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC001136635574 898663492 /nfs/dbraw/zinc/66/34/92/898663492.db2.gz SKDZJHZUHOKQDP-CTNGQTDRSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC001136635574 898663501 /nfs/dbraw/zinc/66/35/01/898663501.db2.gz SKDZJHZUHOKQDP-CTNGQTDRSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC001136635574 898663506 /nfs/dbraw/zinc/66/35/06/898663506.db2.gz SKDZJHZUHOKQDP-CTNGQTDRSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC001136635574 898663513 /nfs/dbraw/zinc/66/35/13/898663513.db2.gz SKDZJHZUHOKQDP-CTNGQTDRSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)C1 ZINC001136635577 898663677 /nfs/dbraw/zinc/66/36/77/898663677.db2.gz SKDZJHZUHOKQDP-TZIWHRDSSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC001136635577 898663682 /nfs/dbraw/zinc/66/36/82/898663682.db2.gz SKDZJHZUHOKQDP-TZIWHRDSSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC001136635577 898663689 /nfs/dbraw/zinc/66/36/89/898663689.db2.gz SKDZJHZUHOKQDP-TZIWHRDSSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC001136635577 898663693 /nfs/dbraw/zinc/66/36/93/898663693.db2.gz SKDZJHZUHOKQDP-TZIWHRDSSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC001136635577 898663697 /nfs/dbraw/zinc/66/36/97/898663697.db2.gz SKDZJHZUHOKQDP-TZIWHRDSSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)NC(=O)CO4)cc2)C1 ZINC000646125964 914273567 /nfs/dbraw/zinc/27/35/67/914273567.db2.gz XXTBUOVYNGEBTQ-HDICACEKSA-N 2 1 393.531 3.785 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000569770226 898938823 /nfs/dbraw/zinc/93/88/23/898938823.db2.gz IUPJATZWVNQVKK-XZOQPEGZSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000569770226 898938824 /nfs/dbraw/zinc/93/88/24/898938824.db2.gz IUPJATZWVNQVKK-XZOQPEGZSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000569770226 898938831 /nfs/dbraw/zinc/93/88/31/898938831.db2.gz IUPJATZWVNQVKK-XZOQPEGZSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)NCC1CCCCC1 ZINC000569770224 898939030 /nfs/dbraw/zinc/93/90/30/898939030.db2.gz IUPJATZWVNQVKK-GOTSBHOMSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)NCC1CCCCC1 ZINC000569770224 898939032 /nfs/dbraw/zinc/93/90/32/898939032.db2.gz IUPJATZWVNQVKK-GOTSBHOMSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)NCC1CCCCC1 ZINC000569770224 898939037 /nfs/dbraw/zinc/93/90/37/898939037.db2.gz IUPJATZWVNQVKK-GOTSBHOMSA-N 2 1 383.580 3.527 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC000824494732 899638215 /nfs/dbraw/zinc/63/82/15/899638215.db2.gz MQRLCFUQDPNIDU-FCDRMGDPSA-N 2 1 382.508 3.697 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532255 899662662 /nfs/dbraw/zinc/66/26/62/899662662.db2.gz TUVGBXWXQLLUSS-TXPKVOOTSA-N 2 1 394.498 3.567 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC000824667319 899752649 /nfs/dbraw/zinc/75/26/49/899752649.db2.gz WJJNMDKZIZKMDK-LJQANCHMSA-N 2 1 393.547 3.726 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1 ZINC000825119331 899990981 /nfs/dbraw/zinc/99/09/81/899990981.db2.gz CKHBVSBCPIISNL-LJQANCHMSA-N 2 1 390.535 3.615 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC000134803743 900124587 /nfs/dbraw/zinc/12/45/87/900124587.db2.gz OISAJNZDQLRIRW-FUHWJXTLSA-N 2 1 390.572 3.797 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000572869622 900297834 /nfs/dbraw/zinc/29/78/34/900297834.db2.gz FTZICVHNRFSKEB-LJQANCHMSA-N 2 1 376.928 3.710 20 0 GHADMP CN1CCC(CCO)([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000573220116 900417867 /nfs/dbraw/zinc/41/78/67/900417867.db2.gz YLWQYAISDRSWHF-UHFFFAOYSA-N 2 1 382.426 3.902 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](c4ccccc4)CC3(C)C)CC2)CC1 ZINC000885233477 900434060 /nfs/dbraw/zinc/43/40/60/900434060.db2.gz DVEWMKSXFFVVFF-JOCHJYFZSA-N 2 1 397.607 3.977 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000844191627 900574061 /nfs/dbraw/zinc/57/40/61/900574061.db2.gz ITOZNFUMNAHKRP-NOTZXAQLSA-N 2 1 377.532 3.560 20 0 GHADMP COc1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573819958 900645400 /nfs/dbraw/zinc/64/54/00/900645400.db2.gz MUOUHJQZFKTREQ-QFIPXVFZSA-N 2 1 380.532 3.714 20 0 GHADMP CC(C)N(C(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1)C(C)(C)C[NH3+] ZINC001186317338 914468134 /nfs/dbraw/zinc/46/81/34/914468134.db2.gz BSVBGWAHPWXDNA-JOCHJYFZSA-N 2 1 379.548 3.588 20 0 GHADMP CC(C)N(C(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1)C(C)(C)C[NH3+] ZINC001186317338 914468142 /nfs/dbraw/zinc/46/81/42/914468142.db2.gz BSVBGWAHPWXDNA-JOCHJYFZSA-N 2 1 379.548 3.588 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC000844327431 900699842 /nfs/dbraw/zinc/69/98/42/900699842.db2.gz ROKYBVMMSCHJSE-QGZVFWFLSA-N 2 1 393.597 3.677 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC000844327431 900699845 /nfs/dbraw/zinc/69/98/45/900699845.db2.gz ROKYBVMMSCHJSE-QGZVFWFLSA-N 2 1 393.597 3.677 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC000844327431 900699851 /nfs/dbraw/zinc/69/98/51/900699851.db2.gz ROKYBVMMSCHJSE-QGZVFWFLSA-N 2 1 393.597 3.677 20 0 GHADMP CC(C)N(C(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1)C(C)(C)C[NH3+] ZINC001186317339 914470192 /nfs/dbraw/zinc/47/01/92/914470192.db2.gz BSVBGWAHPWXDNA-QFIPXVFZSA-N 2 1 379.548 3.588 20 0 GHADMP CC(C)N(C(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1)C(C)(C)C[NH3+] ZINC001186317339 914470201 /nfs/dbraw/zinc/47/02/01/914470201.db2.gz BSVBGWAHPWXDNA-QFIPXVFZSA-N 2 1 379.548 3.588 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)C[C@H]1C[C@@]12CCOC2 ZINC000886098003 900721106 /nfs/dbraw/zinc/72/11/06/900721106.db2.gz HYLVWRUMSFAJBW-QPXUXIHVSA-N 2 1 390.612 3.654 20 0 GHADMP Cn1c2ccccc2cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1=O ZINC000574023459 900746101 /nfs/dbraw/zinc/74/61/01/900746101.db2.gz VMCZIMJTZCQGIN-UHFFFAOYSA-N 2 1 389.543 3.883 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000574034054 900753544 /nfs/dbraw/zinc/75/35/44/900753544.db2.gz XDEOYTAVSXWJDW-WOIUINJBSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000574034054 900753549 /nfs/dbraw/zinc/75/35/49/900753549.db2.gz XDEOYTAVSXWJDW-WOIUINJBSA-N 2 1 388.577 3.777 20 0 GHADMP COc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001144008516 900881904 /nfs/dbraw/zinc/88/19/04/900881904.db2.gz GOOGUFQGIMPLNI-INIZCTEOSA-N 2 1 382.382 3.951 20 0 GHADMP COc1ccc(OC(F)(F)F)cc1CN1CC[C@H](Oc2ccncc2C)C1 ZINC001144008516 900881914 /nfs/dbraw/zinc/88/19/14/900881914.db2.gz GOOGUFQGIMPLNI-INIZCTEOSA-N 2 1 382.382 3.951 20 0 GHADMP Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CCO2 ZINC000574437921 900893001 /nfs/dbraw/zinc/89/30/01/900893001.db2.gz CEVVPMXTDGIKIN-UHFFFAOYSA-N 2 1 379.548 3.920 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001171128962 900927608 /nfs/dbraw/zinc/92/76/08/900927608.db2.gz ZZHCZHDTRWGMMO-HSZRJFAPSA-N 2 1 379.548 3.923 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)CC2)C1 ZINC001171133438 901011961 /nfs/dbraw/zinc/01/19/61/901011961.db2.gz LQPPJYSRMLAOKM-WIYYLYMNSA-N 2 1 390.955 3.547 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000886504203 901092011 /nfs/dbraw/zinc/09/20/11/901092011.db2.gz VNKZLDGENGRGMI-PXNSSMCTSA-N 2 1 396.535 3.526 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000886504203 901092021 /nfs/dbraw/zinc/09/20/21/901092021.db2.gz VNKZLDGENGRGMI-PXNSSMCTSA-N 2 1 396.535 3.526 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000575822263 901337282 /nfs/dbraw/zinc/33/72/82/901337282.db2.gz ITIXOMCXODZIIQ-SJORKVTESA-N 2 1 379.504 3.894 20 0 GHADMP COc1cc(OC)cc(C2(F)CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000576090115 901671592 /nfs/dbraw/zinc/67/15/92/901671592.db2.gz OAXYNHVUEFPCPR-UHFFFAOYSA-N 2 1 375.488 3.950 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CCc3cc(Cl)c(Cl)cc3C1)CC2 ZINC001171159401 901728970 /nfs/dbraw/zinc/72/89/70/901728970.db2.gz BERSMPKKTTZDHX-HNNXBMFYSA-N 2 1 382.335 3.981 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000576198132 901796348 /nfs/dbraw/zinc/79/63/48/901796348.db2.gz ABNHTVDILNWSJG-SOUVJXGZSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)C[C@@H]1C ZINC000576198132 901796361 /nfs/dbraw/zinc/79/63/61/901796361.db2.gz ABNHTVDILNWSJG-SOUVJXGZSA-N 2 1 375.340 3.538 20 0 GHADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CCC2 ZINC000576206560 901812879 /nfs/dbraw/zinc/81/28/79/901812879.db2.gz QIVQZHMHWZBZMZ-NVXWUHKLSA-N 2 1 390.622 3.723 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC000333468918 902115517 /nfs/dbraw/zinc/11/55/17/902115517.db2.gz QXKFMRSBPABBAW-GHTZIAJQSA-N 2 1 398.551 3.779 20 0 GHADMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC000333468918 902115529 /nfs/dbraw/zinc/11/55/29/902115529.db2.gz QXKFMRSBPABBAW-GHTZIAJQSA-N 2 1 398.551 3.779 20 0 GHADMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC000333468918 902115540 /nfs/dbraw/zinc/11/55/40/902115540.db2.gz QXKFMRSBPABBAW-GHTZIAJQSA-N 2 1 398.551 3.779 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000125056041 902160010 /nfs/dbraw/zinc/16/00/10/902160010.db2.gz VLSMQSZEKXADTG-IBGZPJMESA-N 2 1 381.520 3.507 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(F)c1 ZINC001144445706 902199089 /nfs/dbraw/zinc/19/90/89/902199089.db2.gz ORLALTMINQEXBI-UHFFFAOYSA-N 2 1 386.467 3.693 20 0 GHADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000576703106 902203314 /nfs/dbraw/zinc/20/33/14/902203314.db2.gz APZVXDKBWVGYFZ-ZWOKBUDYSA-N 2 1 378.944 3.719 20 0 GHADMP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460244 902230546 /nfs/dbraw/zinc/23/05/46/902230546.db2.gz CPEQHDDLFSVWKK-SFTDATJTSA-N 2 1 389.971 3.781 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000576748646 902233823 /nfs/dbraw/zinc/23/38/23/902233823.db2.gz KPLURERRRAOWHL-FMRHZRETSA-N 2 1 382.548 3.534 20 0 GHADMP C[C@H]1C[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000646533940 914623925 /nfs/dbraw/zinc/62/39/25/914623925.db2.gz WMZGFRYSVHUDIN-PKOBYXMFSA-N 2 1 390.597 3.869 20 0 GHADMP Cn1nnc2cc(C[N@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5cccs5)[C@@H]4C3)ccc21 ZINC001144636654 902545501 /nfs/dbraw/zinc/54/55/01/902545501.db2.gz XHRCFNNNAOYYLI-YFVAEKQCSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[NH+]3C[C@H]4CCC[C@@H]([N@H+](C)Cc5cccs5)[C@@H]4C3)ccc21 ZINC001144636654 902545510 /nfs/dbraw/zinc/54/55/10/902545510.db2.gz XHRCFNNNAOYYLI-YFVAEKQCSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[NH+]3C[C@H]4CCC[C@@H]([N@@H+](C)Cc5cccs5)[C@@H]4C3)ccc21 ZINC001144636654 902545518 /nfs/dbraw/zinc/54/55/18/902545518.db2.gz XHRCFNNNAOYYLI-YFVAEKQCSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5cccs5)[C@@H]4C3)ccc21 ZINC001144636651 902545706 /nfs/dbraw/zinc/54/57/06/902545706.db2.gz XHRCFNNNAOYYLI-FBBABVLZSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5cccs5)[C@@H]4C3)ccc21 ZINC001144636651 902545710 /nfs/dbraw/zinc/54/57/10/902545710.db2.gz XHRCFNNNAOYYLI-FBBABVLZSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5cccs5)[C@@H]4C3)ccc21 ZINC001144636651 902545719 /nfs/dbraw/zinc/54/57/19/902545719.db2.gz XHRCFNNNAOYYLI-FBBABVLZSA-N 2 1 395.576 3.762 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128465631 902670313 /nfs/dbraw/zinc/67/03/13/902670313.db2.gz NKQRNLKOIASPRW-GOSISDBHSA-N 2 1 386.609 3.721 20 0 GHADMP COCCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000577670100 903028557 /nfs/dbraw/zinc/02/85/57/903028557.db2.gz ZPBDYVSLSIVIOJ-PKTZIBPZSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000577670100 903028577 /nfs/dbraw/zinc/02/85/77/903028577.db2.gz ZPBDYVSLSIVIOJ-PKTZIBPZSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000577670100 903028592 /nfs/dbraw/zinc/02/85/92/903028592.db2.gz ZPBDYVSLSIVIOJ-PKTZIBPZSA-N 2 1 380.532 3.666 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000600888937 903053834 /nfs/dbraw/zinc/05/38/34/903053834.db2.gz NWMKEKJRBINXBO-JJOUBASASA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000600888937 903053846 /nfs/dbraw/zinc/05/38/46/903053846.db2.gz NWMKEKJRBINXBO-JJOUBASASA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000600888937 903053859 /nfs/dbraw/zinc/05/38/59/903053859.db2.gz NWMKEKJRBINXBO-JJOUBASASA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[N@@H+](C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCC(=O)N1 ZINC001171250460 903175380 /nfs/dbraw/zinc/17/53/80/903175380.db2.gz YLFZZJJWIMLEDJ-DNQXCXABSA-N 2 1 393.575 3.891 20 0 GHADMP CC(C)[NH+](C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCC(=O)N1 ZINC001171250460 903175386 /nfs/dbraw/zinc/17/53/86/903175386.db2.gz YLFZZJJWIMLEDJ-DNQXCXABSA-N 2 1 393.575 3.891 20 0 GHADMP CC(C)[NH+](C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCC(=O)N1 ZINC001171250460 903175393 /nfs/dbraw/zinc/17/53/93/903175393.db2.gz YLFZZJJWIMLEDJ-DNQXCXABSA-N 2 1 393.575 3.891 20 0 GHADMP [NH3+]C1CCN(c2nc(NCc3cccc(OCC4CCCCC4)c3)cc[nH+]2)CC1 ZINC001171261490 903430397 /nfs/dbraw/zinc/43/03/97/903430397.db2.gz ZKLAKWUWXVDKKW-UHFFFAOYSA-N 2 1 395.551 3.975 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000578127562 903543632 /nfs/dbraw/zinc/54/36/32/903543632.db2.gz DITUJXJYIODGPA-JXXFODFXSA-N 2 1 394.968 3.814 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000578127562 903543639 /nfs/dbraw/zinc/54/36/39/903543639.db2.gz DITUJXJYIODGPA-JXXFODFXSA-N 2 1 394.968 3.814 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000779056821 903618340 /nfs/dbraw/zinc/61/83/40/903618340.db2.gz AREJSQBOXJBTFQ-NQUKJQRRSA-N 2 1 379.589 3.873 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C3CC3)[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000578245796 903648508 /nfs/dbraw/zinc/64/85/08/903648508.db2.gz YQLYWMUHUJFHES-XMMPIXPASA-N 2 1 395.591 3.861 20 0 GHADMP COCCOCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000578311021 903722495 /nfs/dbraw/zinc/72/24/95/903722495.db2.gz QPMSMTHYSWJEEQ-UHFFFAOYSA-N 2 1 382.548 3.912 20 0 GHADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000578378329 903783809 /nfs/dbraw/zinc/78/38/09/903783809.db2.gz ZYVHFDJNLDFQQI-UHFFFAOYSA-N 2 1 399.410 3.519 20 0 GHADMP Cc1cc(-n2cc3ccc(C[NH3+])cc3n2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001171315222 903881733 /nfs/dbraw/zinc/88/17/33/903881733.db2.gz NNBKSGSEAAEKHZ-UHFFFAOYSA-N 2 1 383.499 3.746 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)NC1CC([NH+]2CCCCC2)C1 ZINC000578568277 903969977 /nfs/dbraw/zinc/96/99/77/903969977.db2.gz SONIWXBGAHVJPK-DDRJZQQSSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000151140213 904075979 /nfs/dbraw/zinc/07/59/79/904075979.db2.gz PHSSNKNKEXPNFU-QGZVFWFLSA-N 2 1 390.547 3.713 20 0 GHADMP C[C@H](NC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578970364 904267855 /nfs/dbraw/zinc/26/78/55/904267855.db2.gz RPFRKEQJFOPYGV-LXBDKUERSA-N 2 1 394.563 3.792 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579225180 904441868 /nfs/dbraw/zinc/44/18/68/904441868.db2.gz SOFKIJPULWIWKO-OCVOVZGFSA-N 2 1 381.495 3.941 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)COc1ccccc1Cl ZINC000579463417 904627733 /nfs/dbraw/zinc/62/77/33/904627733.db2.gz SBYSFPGZNDIGFG-DLBZAZTESA-N 2 1 394.968 3.643 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)COc1ccccc1Cl ZINC000579463417 904627739 /nfs/dbraw/zinc/62/77/39/904627739.db2.gz SBYSFPGZNDIGFG-DLBZAZTESA-N 2 1 394.968 3.643 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554625 904826630 /nfs/dbraw/zinc/82/66/30/904826630.db2.gz KZDCAFGJYBVDQH-OAHLLOKOSA-N 2 1 392.425 3.640 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554625 904826649 /nfs/dbraw/zinc/82/66/49/904826649.db2.gz KZDCAFGJYBVDQH-OAHLLOKOSA-N 2 1 392.425 3.640 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C[C@@H]1C(C)(C)C ZINC001171614403 904878639 /nfs/dbraw/zinc/87/86/39/904878639.db2.gz BBQVZONMVAIUSZ-RBUKOAKNSA-N 2 1 379.589 3.971 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn(C2CC(C)(C)[NH+](C)C(C)(C)C2)c2ccccc12 ZINC001171623276 904888626 /nfs/dbraw/zinc/88/86/26/904888626.db2.gz RAZGOFBDGLMTEM-QHCPKHFHSA-N 2 1 385.552 3.898 20 0 GHADMP CCN1CC[C@@]2(C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001171637228 904926070 /nfs/dbraw/zinc/92/60/70/904926070.db2.gz KXCRBINNZBJVJN-BWKNWUBXSA-N 2 1 397.607 3.976 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CN1Cc1ccccc1 ZINC001171750127 904978091 /nfs/dbraw/zinc/97/80/91/904978091.db2.gz JTUXCOMOHIDNAW-HJNYFJLDSA-N 2 1 385.596 3.661 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001171918171 905147937 /nfs/dbraw/zinc/14/79/37/905147937.db2.gz FJTSWWQGOWTFHA-ASUHFHQRSA-N 2 1 380.573 3.638 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CCN(c3ncccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979517 905229090 /nfs/dbraw/zinc/22/90/90/905229090.db2.gz LKGSRDYIVIWYOL-QFIPXVFZSA-N 2 1 393.579 3.726 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171981251 905234122 /nfs/dbraw/zinc/23/41/22/905234122.db2.gz NARNEMFHJYFJBQ-VJBWXMMDSA-N 2 1 395.591 3.905 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001171981251 905234135 /nfs/dbraw/zinc/23/41/35/905234135.db2.gz NARNEMFHJYFJBQ-VJBWXMMDSA-N 2 1 395.591 3.905 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001171981251 905234149 /nfs/dbraw/zinc/23/41/49/905234149.db2.gz NARNEMFHJYFJBQ-VJBWXMMDSA-N 2 1 395.591 3.905 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001171981251 905234164 /nfs/dbraw/zinc/23/41/64/905234164.db2.gz NARNEMFHJYFJBQ-VJBWXMMDSA-N 2 1 395.591 3.905 20 0 GHADMP CC[C@H]1[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981765 905235111 /nfs/dbraw/zinc/23/51/11/905235111.db2.gz PZZQIFYMRDZGTE-IMSXRSKXSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@H]1[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981765 905235124 /nfs/dbraw/zinc/23/51/24/905235124.db2.gz PZZQIFYMRDZGTE-IMSXRSKXSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@H]1[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981765 905235138 /nfs/dbraw/zinc/23/51/38/905235138.db2.gz PZZQIFYMRDZGTE-IMSXRSKXSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@H]1[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981765 905235155 /nfs/dbraw/zinc/23/51/55/905235155.db2.gz PZZQIFYMRDZGTE-IMSXRSKXSA-N 2 1 383.580 3.953 20 0 GHADMP CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171983220 905239340 /nfs/dbraw/zinc/23/93/40/905239340.db2.gz YJGQMYUKSOBBMT-SFTDATJTSA-N 2 1 383.580 3.620 20 0 GHADMP COc1cccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984613 905239844 /nfs/dbraw/zinc/23/98/44/905239844.db2.gz WKMGNUZKUGFLLG-YADHBBJMSA-N 2 1 382.548 3.631 20 0 GHADMP CCC1=NC2(CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)C(=O)N1C ZINC001171987161 905247897 /nfs/dbraw/zinc/24/78/97/905247897.db2.gz PXMCGDHLOKBFDI-FQEVSTJZSA-N 2 1 396.579 3.545 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987667 905251136 /nfs/dbraw/zinc/25/11/36/905251136.db2.gz ZNSCMZDZNAPIPA-FQEVSTJZSA-N 2 1 398.526 3.902 20 0 GHADMP CCOC(=O)N1CCC([N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987797 905251319 /nfs/dbraw/zinc/25/13/19/905251319.db2.gz JXCCDBJMIAVMOF-NRFANRHFSA-N 2 1 387.568 3.982 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987797 905251329 /nfs/dbraw/zinc/25/13/29/905251329.db2.gz JXCCDBJMIAVMOF-NRFANRHFSA-N 2 1 387.568 3.982 20 0 GHADMP CCOC(=O)N1CCC([NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987797 905251335 /nfs/dbraw/zinc/25/13/35/905251335.db2.gz JXCCDBJMIAVMOF-NRFANRHFSA-N 2 1 387.568 3.982 20 0 GHADMP CCOC(=O)N1CCC([NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171987797 905251346 /nfs/dbraw/zinc/25/13/46/905251346.db2.gz JXCCDBJMIAVMOF-NRFANRHFSA-N 2 1 387.568 3.982 20 0 GHADMP CC(C)(CC(=O)N1CCCC1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076993 905288400 /nfs/dbraw/zinc/28/84/00/905288400.db2.gz NOGCVXGFFOSKPK-KOUNCHBCSA-N 2 1 383.580 3.953 20 0 GHADMP CC(=O)N1CC[C@@H]([N@@H+](C(C)C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172083839 905296749 /nfs/dbraw/zinc/29/67/49/905296749.db2.gz SLHUFRKGRNQNDD-QPXUXIHVSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@@H]([N@H+](C(C)C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172083839 905296765 /nfs/dbraw/zinc/29/67/65/905296765.db2.gz SLHUFRKGRNQNDD-QPXUXIHVSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@@H]([NH+](C(C)C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172083839 905296781 /nfs/dbraw/zinc/29/67/81/905296781.db2.gz SLHUFRKGRNQNDD-QPXUXIHVSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@@H]([NH+](C(C)C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172083839 905296792 /nfs/dbraw/zinc/29/67/92/905296792.db2.gz SLHUFRKGRNQNDD-QPXUXIHVSA-N 2 1 383.580 3.903 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172085967 905300954 /nfs/dbraw/zinc/30/09/54/905300954.db2.gz WJFFYLHUSKQBJP-NIHUSPDFSA-N 2 1 377.573 3.912 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172085967 905300971 /nfs/dbraw/zinc/30/09/71/905300971.db2.gz WJFFYLHUSKQBJP-NIHUSPDFSA-N 2 1 377.573 3.912 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001172061323 905322483 /nfs/dbraw/zinc/32/24/83/905322483.db2.gz GDGUUSUKWWEEBF-NUNAXRQHSA-N 2 1 377.532 3.592 20 0 GHADMP [NH3+]C1(c2cccnc2)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065243 905327171 /nfs/dbraw/zinc/32/71/71/905327171.db2.gz JISJZUAZBYYLQC-UBRQYEGLSA-N 2 1 390.575 3.917 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172065203 905329448 /nfs/dbraw/zinc/32/94/48/905329448.db2.gz IVWLWACSOQFMCM-VDHDWPQNSA-N 2 1 383.580 3.543 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(C2COC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172065203 905329464 /nfs/dbraw/zinc/32/94/64/905329464.db2.gz IVWLWACSOQFMCM-VDHDWPQNSA-N 2 1 383.580 3.543 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(C2COC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065203 905329480 /nfs/dbraw/zinc/32/94/80/905329480.db2.gz IVWLWACSOQFMCM-VDHDWPQNSA-N 2 1 383.580 3.543 20 0 GHADMP [NH3+]C[C@H]1Cc2ccccc2CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065914 905331067 /nfs/dbraw/zinc/33/10/67/905331067.db2.gz BIYQERSDPYDNSX-ZFFYZDHPSA-N 2 1 375.560 3.958 20 0 GHADMP OC[C@@]1(C(F)(F)F)CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069014 905339117 /nfs/dbraw/zinc/33/91/17/905339117.db2.gz NFNBDKUBIWSMHE-IYWMVGAKSA-N 2 1 382.470 3.819 20 0 GHADMP OC[C@@]1(C(F)(F)F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069014 905339133 /nfs/dbraw/zinc/33/91/33/905339133.db2.gz NFNBDKUBIWSMHE-IYWMVGAKSA-N 2 1 382.470 3.819 20 0 GHADMP OC[C@@]1(C(F)(F)F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069014 905339154 /nfs/dbraw/zinc/33/91/54/905339154.db2.gz NFNBDKUBIWSMHE-IYWMVGAKSA-N 2 1 382.470 3.819 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001172113488 905362704 /nfs/dbraw/zinc/36/27/04/905362704.db2.gz HTILNXCBOGIHOL-UMPJEAMMSA-N 2 1 376.850 3.997 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001172113488 905362721 /nfs/dbraw/zinc/36/27/21/905362721.db2.gz HTILNXCBOGIHOL-UMPJEAMMSA-N 2 1 376.850 3.997 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H]3CC[C@H](C1)C3C(=O)Nc1cccc(F)c1)C2 ZINC001172114843 905364521 /nfs/dbraw/zinc/36/45/21/905364521.db2.gz DVWWBUOWFIWCDP-DTLLMYHTSA-N 2 1 385.527 3.738 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CC[C@H](C1)C3C(=O)Nc1cccc(F)c1)C2 ZINC001172114843 905364532 /nfs/dbraw/zinc/36/45/32/905364532.db2.gz DVWWBUOWFIWCDP-DTLLMYHTSA-N 2 1 385.527 3.738 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CC[C@H](C1)C3C(=O)Nc1cccc(F)c1)C2 ZINC001172114843 905364544 /nfs/dbraw/zinc/36/45/44/905364544.db2.gz DVWWBUOWFIWCDP-DTLLMYHTSA-N 2 1 385.527 3.738 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3cccc(Br)c3)C1)C2 ZINC001172116204 905366353 /nfs/dbraw/zinc/36/63/53/905366353.db2.gz XXDJZAPGIZYHHP-LWYYNNOASA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3cccc(Br)c3)C1)C2 ZINC001172116204 905366375 /nfs/dbraw/zinc/36/63/75/905366375.db2.gz XXDJZAPGIZYHHP-LWYYNNOASA-N 2 1 392.385 3.628 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1)C2 ZINC001172118993 905377232 /nfs/dbraw/zinc/37/72/32/905377232.db2.gz UQKFGFWOXWEDFC-ADYITMSISA-N 2 1 398.572 3.784 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1)C2 ZINC001172118993 905377247 /nfs/dbraw/zinc/37/72/47/905377247.db2.gz UQKFGFWOXWEDFC-ADYITMSISA-N 2 1 398.572 3.784 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C2 ZINC001172121833 905378463 /nfs/dbraw/zinc/37/84/63/905378463.db2.gz UAZSNULCOZQOEC-GPUAKUCWSA-N 2 1 395.563 3.673 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C2 ZINC001172121833 905378481 /nfs/dbraw/zinc/37/84/81/905378481.db2.gz UAZSNULCOZQOEC-GPUAKUCWSA-N 2 1 395.563 3.673 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C2 ZINC001172121833 905378500 /nfs/dbraw/zinc/37/85/00/905378500.db2.gz UAZSNULCOZQOEC-GPUAKUCWSA-N 2 1 395.563 3.673 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC3(CC2)OCc2cc(Cl)ccc23)CC1 ZINC001172253190 905448783 /nfs/dbraw/zinc/44/87/83/905448783.db2.gz FZJZLQCHGGZFRZ-UHFFFAOYSA-N 2 1 378.944 3.662 20 0 GHADMP CC(C)OCC[C@H](C)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172433325 905541815 /nfs/dbraw/zinc/54/18/15/905541815.db2.gz HNRSOOOJWKARMI-SFHVURJKSA-N 2 1 397.604 3.644 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000175455920 905568891 /nfs/dbraw/zinc/56/88/91/905568891.db2.gz MYDCMMURGLDQJL-UHFFFAOYSA-N 2 1 398.551 3.584 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000175455920 905568898 /nfs/dbraw/zinc/56/88/98/905568898.db2.gz MYDCMMURGLDQJL-UHFFFAOYSA-N 2 1 398.551 3.584 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001172468076 905579039 /nfs/dbraw/zinc/57/90/39/905579039.db2.gz VKTNYYBWBHPXLT-IBGZPJMESA-N 2 1 380.598 3.866 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584937 921165454 /nfs/dbraw/zinc/16/54/54/921165454.db2.gz OBMRYPXGDJXISD-FYYLOGMGSA-N 2 1 398.547 3.628 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584937 921165463 /nfs/dbraw/zinc/16/54/63/921165463.db2.gz OBMRYPXGDJXISD-FYYLOGMGSA-N 2 1 398.547 3.628 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC(NCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172637833 905698726 /nfs/dbraw/zinc/69/87/26/905698726.db2.gz SOOJREBOTAFRKV-LPHOPBHVSA-N 2 1 398.469 3.991 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172637833 905698731 /nfs/dbraw/zinc/69/87/31/905698731.db2.gz SOOJREBOTAFRKV-LPHOPBHVSA-N 2 1 398.469 3.991 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2ccccc2-c2cccc(Br)n2)CC[C@H]1F ZINC001206172979 905751994 /nfs/dbraw/zinc/75/19/94/905751994.db2.gz DQRRJXVYDLCHIJ-CVEARBPZSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2-c2cccc(Br)n2)CC[C@H]1F ZINC001206172979 905752002 /nfs/dbraw/zinc/75/20/02/905752002.db2.gz DQRRJXVYDLCHIJ-CVEARBPZSA-N 2 1 378.289 3.772 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](C4CCC5(CCCC5)CC4)C3)O2)CC1 ZINC001172729713 905777752 /nfs/dbraw/zinc/77/77/52/905777752.db2.gz ZZYVIPUTODMTNL-ISKFKSNPSA-N 2 1 389.628 3.750 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](C4CCC5(CCCC5)CC4)C3)O2)CC1 ZINC001172729713 905777760 /nfs/dbraw/zinc/77/77/60/905777760.db2.gz ZZYVIPUTODMTNL-ISKFKSNPSA-N 2 1 389.628 3.750 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](C4CCC5(CCCC5)CC4)C3)O2)CC1 ZINC001172729713 905777770 /nfs/dbraw/zinc/77/77/70/905777770.db2.gz ZZYVIPUTODMTNL-ISKFKSNPSA-N 2 1 389.628 3.750 20 0 GHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001172744645 905785231 /nfs/dbraw/zinc/78/52/31/905785231.db2.gz DMRYIYXIVYPVNX-ZJACJNJLSA-N 2 1 378.516 3.683 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001172785795 905828505 /nfs/dbraw/zinc/82/85/05/905828505.db2.gz IZOZIANROVMJSU-NHCUHLMSSA-N 2 1 399.579 3.880 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC1)CC2 ZINC001172834533 905865625 /nfs/dbraw/zinc/86/56/25/905865625.db2.gz VENXPASHFGWWLV-QHCPKHFHSA-N 2 1 378.564 3.716 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC1)CC2 ZINC001172834533 905865629 /nfs/dbraw/zinc/86/56/29/905865629.db2.gz VENXPASHFGWWLV-QHCPKHFHSA-N 2 1 378.564 3.716 20 0 GHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C1 ZINC001172933938 906002545 /nfs/dbraw/zinc/00/25/45/906002545.db2.gz CCFCEQOAWWAPTO-IPMKNSEASA-N 2 1 378.582 3.761 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172960603 906068959 /nfs/dbraw/zinc/06/89/59/906068959.db2.gz ZKGVWKFXXUTESW-KURKYZTESA-N 2 1 393.597 3.757 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172960603 906068977 /nfs/dbraw/zinc/06/89/77/906068977.db2.gz ZKGVWKFXXUTESW-KURKYZTESA-N 2 1 393.597 3.757 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001172960603 906068993 /nfs/dbraw/zinc/06/89/93/906068993.db2.gz ZKGVWKFXXUTESW-KURKYZTESA-N 2 1 393.597 3.757 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001172960603 906069002 /nfs/dbraw/zinc/06/90/02/906069002.db2.gz ZKGVWKFXXUTESW-KURKYZTESA-N 2 1 393.597 3.757 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001172960607 906070600 /nfs/dbraw/zinc/07/06/00/906070600.db2.gz ZKGVWKFXXUTESW-KZNAEPCWSA-N 2 1 393.597 3.757 20 0 GHADMP CCCOC1CCC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001173092817 906151956 /nfs/dbraw/zinc/15/19/56/906151956.db2.gz DTSPGTSWSLUJKU-DOBXKQIDSA-N 2 1 377.617 3.653 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)CC1 ZINC001173111335 906198946 /nfs/dbraw/zinc/19/89/46/906198946.db2.gz BRQOTWSJRZPGBQ-UHFFFAOYSA-N 2 1 379.552 3.592 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC001173114309 906202743 /nfs/dbraw/zinc/20/27/43/906202743.db2.gz GDBNQBCVUSBZFR-WBYGSUFKSA-N 2 1 379.589 3.828 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139561 906225553 /nfs/dbraw/zinc/22/55/53/906225553.db2.gz USBXANGALUETIT-BOFXEDATSA-N 2 1 382.577 3.628 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139561 906225570 /nfs/dbraw/zinc/22/55/70/906225570.db2.gz USBXANGALUETIT-BOFXEDATSA-N 2 1 382.577 3.628 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139561 906225579 /nfs/dbraw/zinc/22/55/79/906225579.db2.gz USBXANGALUETIT-BOFXEDATSA-N 2 1 382.577 3.628 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139561 906225597 /nfs/dbraw/zinc/22/55/97/906225597.db2.gz USBXANGALUETIT-BOFXEDATSA-N 2 1 382.577 3.628 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139561 906225612 /nfs/dbraw/zinc/22/56/12/906225612.db2.gz USBXANGALUETIT-BOFXEDATSA-N 2 1 382.577 3.628 20 0 GHADMP Fc1cc2c(cc1F)CC([NH+]1CCC3(CC1)C[N@@H+](Cc1ccccc1)CCO3)C2 ZINC001173483414 906482822 /nfs/dbraw/zinc/48/28/22/906482822.db2.gz PZEZARQVTZKGJN-UHFFFAOYSA-N 2 1 398.497 3.799 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632657 906584144 /nfs/dbraw/zinc/58/41/44/906584144.db2.gz MZKKQPAPHVGMEY-WLRLJWMZSA-N 2 1 388.552 3.889 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001173656104 906642425 /nfs/dbraw/zinc/64/24/25/906642425.db2.gz ASJULCVYCGXZLQ-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001173656104 906642431 /nfs/dbraw/zinc/64/24/31/906642431.db2.gz ASJULCVYCGXZLQ-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001173656104 906642437 /nfs/dbraw/zinc/64/24/37/906642437.db2.gz ASJULCVYCGXZLQ-LUKWVAJMSA-N 2 1 384.564 3.952 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000365999742 921279946 /nfs/dbraw/zinc/27/99/46/921279946.db2.gz LUMOXUIGAWBODP-SIKLNZKXSA-N 2 1 379.548 3.873 20 0 GHADMP C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630622 907042233 /nfs/dbraw/zinc/04/22/33/907042233.db2.gz YDTHIMZMYOIGTH-SJORKVTESA-N 2 1 383.536 3.877 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182250046 907169087 /nfs/dbraw/zinc/16/90/87/907169087.db2.gz UVMOBEUJPGNJSF-OFNKIYASSA-N 2 1 396.531 3.655 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CCO1 ZINC001174933801 907301624 /nfs/dbraw/zinc/30/16/24/907301624.db2.gz ODENFZJBRXVLCD-KRWDZBQOSA-N 2 1 388.474 3.907 20 0 GHADMP CCCC[N@@H+](C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984463 907334923 /nfs/dbraw/zinc/33/49/23/907334923.db2.gz PIXIIGZFZXPIQY-SFHVURJKSA-N 2 1 399.620 3.626 20 0 GHADMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC001175060980 907337652 /nfs/dbraw/zinc/33/76/52/907337652.db2.gz DNOOQRSVEOXYSM-GOSISDBHSA-N 2 1 383.536 3.996 20 0 GHADMP CC(C)C[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)CC1CC[NH+](C)CC1 ZINC001175601356 907630203 /nfs/dbraw/zinc/63/02/03/907630203.db2.gz KPUHOCYYKFCDTE-UHFFFAOYSA-N 2 1 376.495 3.950 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185544738 907789314 /nfs/dbraw/zinc/78/93/14/907789314.db2.gz ZJZPFWNJGSJQNQ-SFTDATJTSA-N 2 1 389.565 3.655 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ncc(Br)cc1F ZINC000187101041 908037454 /nfs/dbraw/zinc/03/74/54/908037454.db2.gz AMHUBWWNRBYZFV-MJBXVCDLSA-N 2 1 388.325 3.523 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2c(Cl)cccc2N2CCOCC2)C1 ZINC001177295038 908499225 /nfs/dbraw/zinc/49/92/25/908499225.db2.gz XDCNFLIEQBCZQN-HDICACEKSA-N 2 1 379.976 3.634 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000191491276 908631087 /nfs/dbraw/zinc/63/10/87/908631087.db2.gz NAVKVOBXBNJIML-MRXNPFEDSA-N 2 1 383.496 3.977 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000191491276 908631092 /nfs/dbraw/zinc/63/10/92/908631092.db2.gz NAVKVOBXBNJIML-MRXNPFEDSA-N 2 1 383.496 3.977 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000266431699 909153730 /nfs/dbraw/zinc/15/37/30/909153730.db2.gz SOKMFXFIGZVQNK-HSZRJFAPSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c2c1OC(F)(F)O2 ZINC001179193590 909426859 /nfs/dbraw/zinc/42/68/59/909426859.db2.gz IEMYBLJSIRRKHJ-KRWDZBQOSA-N 2 1 395.494 3.566 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC001179266704 909447673 /nfs/dbraw/zinc/44/76/73/909447673.db2.gz WBFDWLLINFXFLW-GOSISDBHSA-N 2 1 378.520 3.978 20 0 GHADMP CSc1ccc(Br)cc1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001179690951 909648400 /nfs/dbraw/zinc/64/84/00/909648400.db2.gz RRRMVINVSLJFBH-UHFFFAOYSA-N 2 1 380.355 3.964 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000069706765 909710546 /nfs/dbraw/zinc/71/05/46/909710546.db2.gz BNJYTOXVHUZABV-IBGZPJMESA-N 2 1 379.552 3.599 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000069706765 909710559 /nfs/dbraw/zinc/71/05/59/909710559.db2.gz BNJYTOXVHUZABV-IBGZPJMESA-N 2 1 379.552 3.599 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268782199 910014435 /nfs/dbraw/zinc/01/44/35/910014435.db2.gz DHLYGYSPAVINNO-CVDCTZTESA-N 2 1 385.596 3.914 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268782199 910014449 /nfs/dbraw/zinc/01/44/49/910014449.db2.gz DHLYGYSPAVINNO-CVDCTZTESA-N 2 1 385.596 3.914 20 0 GHADMP COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001180302164 910058123 /nfs/dbraw/zinc/05/81/23/910058123.db2.gz TZUWWYOVFRYBMU-CAYSGGIESA-N 2 1 384.564 3.999 20 0 GHADMP CC[C@@H](c1ccncc1)N(CC)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638282633 910102861 /nfs/dbraw/zinc/10/28/61/910102861.db2.gz GPJSHLJNFUDPDZ-QFIPXVFZSA-N 2 1 394.563 3.765 20 0 GHADMP C[C@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000269038718 910113207 /nfs/dbraw/zinc/11/32/07/910113207.db2.gz FYMVJJDOWOZFKA-FQEVSTJZSA-N 2 1 392.547 3.917 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)cc2)n1 ZINC000638338474 910125783 /nfs/dbraw/zinc/12/57/83/910125783.db2.gz BMHHLEIRPGUYKX-LADGPHEKSA-N 2 1 387.531 3.784 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)cc2)n1 ZINC000638338474 910125789 /nfs/dbraw/zinc/12/57/89/910125789.db2.gz BMHHLEIRPGUYKX-LADGPHEKSA-N 2 1 387.531 3.784 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)n1 ZINC000269098668 910139131 /nfs/dbraw/zinc/13/91/31/910139131.db2.gz SMZRLAIYTJXZGO-WMZHIEFXSA-N 2 1 393.579 3.705 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)n1 ZINC000269098668 910139142 /nfs/dbraw/zinc/13/91/42/910139142.db2.gz SMZRLAIYTJXZGO-WMZHIEFXSA-N 2 1 393.579 3.705 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638671255 910208525 /nfs/dbraw/zinc/20/85/25/910208525.db2.gz WJQZZZUETVNPGG-TZIWHRDSSA-N 2 1 381.520 3.666 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638671255 910208541 /nfs/dbraw/zinc/20/85/41/910208541.db2.gz WJQZZZUETVNPGG-TZIWHRDSSA-N 2 1 381.520 3.666 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccn(C(F)F)c2=O)C[N@H+]1Cc1ccccc1 ZINC000638797676 910239560 /nfs/dbraw/zinc/23/95/60/910239560.db2.gz VBWDNAMWYKAZSR-AEFFLSMTSA-N 2 1 375.463 3.634 20 0 GHADMP O=C1[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038590 910294624 /nfs/dbraw/zinc/29/46/24/910294624.db2.gz LQDLXZKRQPOTDE-UEVCKROQSA-N 2 1 390.531 3.535 20 0 GHADMP CCCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](Cc2ccccc2)CC1 ZINC001180680809 910302518 /nfs/dbraw/zinc/30/25/18/910302518.db2.gz BGVGFOPYRQIWHO-JTHBVZDNSA-N 2 1 383.580 3.907 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC12CCOCC2 ZINC000639142379 910326897 /nfs/dbraw/zinc/32/68/97/910326897.db2.gz BIPRCDJKKRUXRS-BAMDZGJYSA-N 2 1 384.564 3.512 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC12CCOCC2 ZINC000639142379 910326904 /nfs/dbraw/zinc/32/69/04/910326904.db2.gz BIPRCDJKKRUXRS-BAMDZGJYSA-N 2 1 384.564 3.512 20 0 GHADMP O=c1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cccn1C(F)F ZINC000639206490 910350336 /nfs/dbraw/zinc/35/03/36/910350336.db2.gz QZLGRYAJUXXWGE-UHFFFAOYSA-N 2 1 387.474 3.732 20 0 GHADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1ccc(Br)cc1 ZINC000639250149 910364324 /nfs/dbraw/zinc/36/43/24/910364324.db2.gz UOEYCIGGNLRVJO-DZJYIKFMSA-N 2 1 392.385 3.799 20 0 GHADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180816864 910386593 /nfs/dbraw/zinc/38/65/93/910386593.db2.gz BLMGQISQXXGZTI-QGZVFWFLSA-N 2 1 398.378 3.806 20 0 GHADMP C[N@H+]1CCC[C@@H]1CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180816864 910386608 /nfs/dbraw/zinc/38/66/08/910386608.db2.gz BLMGQISQXXGZTI-QGZVFWFLSA-N 2 1 398.378 3.806 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)CC23CCC[NH+]2CCC3)cc1 ZINC001181108354 910539981 /nfs/dbraw/zinc/53/99/81/910539981.db2.gz APAQAWRNPFMMCD-NRFANRHFSA-N 2 1 399.579 3.527 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(NC(=O)CC[NH+](C)Cc3ccccc3)c2C1 ZINC001181138746 910565551 /nfs/dbraw/zinc/56/55/51/910565551.db2.gz LVEZUBQQQHMKKV-UHFFFAOYSA-N 2 1 386.565 3.559 20 0 GHADMP CCC[NH+]1CCc2c(N)sc(NC(=O)CC[N@H+](C)Cc3ccccc3)c2C1 ZINC001181138746 910565563 /nfs/dbraw/zinc/56/55/63/910565563.db2.gz LVEZUBQQQHMKKV-UHFFFAOYSA-N 2 1 386.565 3.559 20 0 GHADMP CCC[NH+]1CCc2c(N)sc(NC(=O)CC[N@@H+](C)Cc3ccccc3)c2C1 ZINC001181138746 910565574 /nfs/dbraw/zinc/56/55/74/910565574.db2.gz LVEZUBQQQHMKKV-UHFFFAOYSA-N 2 1 386.565 3.559 20 0 GHADMP C[N@@H+](CCC(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)Cc1ccccc1 ZINC001181141192 910568105 /nfs/dbraw/zinc/56/81/05/910568105.db2.gz HGZQUERTTAOYTA-HZCBDIJESA-N 2 1 397.538 3.946 20 0 GHADMP c1n[nH]cc1[C@@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639778942 910660266 /nfs/dbraw/zinc/66/02/66/910660266.db2.gz VWNRVQNCGWSNIR-VXKWHMMOSA-N 2 1 376.508 3.807 20 0 GHADMP CN(CC[N@@H+](C)CCCCc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC001181465164 910778236 /nfs/dbraw/zinc/77/82/36/910778236.db2.gz VWPDCBYLVJBEAI-UHFFFAOYSA-N 2 1 385.518 3.986 20 0 GHADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000640016767 910780640 /nfs/dbraw/zinc/78/06/40/910780640.db2.gz DAFDMLJQPRFGSV-UHFFFAOYSA-N 2 1 397.567 3.624 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](C)c1cccc(Br)c1 ZINC001181489072 910791879 /nfs/dbraw/zinc/79/18/79/910791879.db2.gz VWDDMVVRYWVJCC-FXAWDEMLSA-N 2 1 396.417 3.901 20 0 GHADMP C[C@@H](c1ccncc1)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000271560274 910959376 /nfs/dbraw/zinc/95/93/76/910959376.db2.gz WTEOEGQYHVMLLS-NRFANRHFSA-N 2 1 392.591 3.904 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000640561440 911064944 /nfs/dbraw/zinc/06/49/44/911064944.db2.gz HGWZXOCIABHXNJ-NQIIRXRSSA-N 2 1 395.551 3.660 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640565671 911068813 /nfs/dbraw/zinc/06/88/13/911068813.db2.gz VYYJEANDQAHOKY-SFHVURJKSA-N 2 1 387.572 3.652 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c2C[NH+](C)C[C@H]3c2ccccc2)C1 ZINC001181983724 911109826 /nfs/dbraw/zinc/10/98/26/911109826.db2.gz LXOBYWWSFMUCRH-CTNGQTDRSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[NH+]1CC[C@@H](C(=O)Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)C1 ZINC001181983724 911109833 /nfs/dbraw/zinc/10/98/33/911109833.db2.gz LXOBYWWSFMUCRH-CTNGQTDRSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[NH+]1CC[C@@H](C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)C1 ZINC001181983724 911109840 /nfs/dbraw/zinc/10/98/40/911109840.db2.gz LXOBYWWSFMUCRH-CTNGQTDRSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC001182172225 911195160 /nfs/dbraw/zinc/19/51/60/911195160.db2.gz AOOPXEAGZJIDAM-CABCVRRESA-N 2 1 388.337 3.931 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC001182172225 911195167 /nfs/dbraw/zinc/19/51/67/911195167.db2.gz AOOPXEAGZJIDAM-CABCVRRESA-N 2 1 388.337 3.931 20 0 GHADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182239766 911362229 /nfs/dbraw/zinc/36/22/29/911362229.db2.gz HZVOCPKFJYTPNB-QHCPKHFHSA-N 2 1 379.548 3.660 20 0 GHADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182239766 911362245 /nfs/dbraw/zinc/36/22/45/911362245.db2.gz HZVOCPKFJYTPNB-QHCPKHFHSA-N 2 1 379.548 3.660 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001182317371 911446860 /nfs/dbraw/zinc/44/68/60/911446860.db2.gz PHEYXWFWKZQPQB-DNQXCXABSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001182317371 911446868 /nfs/dbraw/zinc/44/68/68/911446868.db2.gz PHEYXWFWKZQPQB-DNQXCXABSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001182317371 911446877 /nfs/dbraw/zinc/44/68/77/911446877.db2.gz PHEYXWFWKZQPQB-DNQXCXABSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001182317371 911446883 /nfs/dbraw/zinc/44/68/83/911446883.db2.gz PHEYXWFWKZQPQB-DNQXCXABSA-N 2 1 391.559 3.722 20 0 GHADMP C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001299399139 912022008 /nfs/dbraw/zinc/02/20/08/912022008.db2.gz QRAXZVYYTXUDIF-GBXCKJPGSA-N 2 1 391.559 3.503 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816511 912063400 /nfs/dbraw/zinc/06/34/00/912063400.db2.gz UBOVCBFVQAYLLC-LGGPRVQUSA-N 2 1 397.588 3.940 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816511 912063413 /nfs/dbraw/zinc/06/34/13/912063413.db2.gz UBOVCBFVQAYLLC-LGGPRVQUSA-N 2 1 397.588 3.940 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816511 912063422 /nfs/dbraw/zinc/06/34/22/912063422.db2.gz UBOVCBFVQAYLLC-LGGPRVQUSA-N 2 1 397.588 3.940 20 0 GHADMP CN(C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000291206153 915036942 /nfs/dbraw/zinc/03/69/42/915036942.db2.gz KLKAPPULWUYJBD-JYEDNEFCSA-N 2 1 398.595 3.555 20 0 GHADMP CN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291206153 915036958 /nfs/dbraw/zinc/03/69/58/915036958.db2.gz KLKAPPULWUYJBD-JYEDNEFCSA-N 2 1 398.595 3.555 20 0 GHADMP CN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000291206153 915036974 /nfs/dbraw/zinc/03/69/74/915036974.db2.gz KLKAPPULWUYJBD-JYEDNEFCSA-N 2 1 398.595 3.555 20 0 GHADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647179109 915071160 /nfs/dbraw/zinc/07/11/60/915071160.db2.gz AAMYCGIVOABTDX-NHCUHLMSSA-N 2 1 378.516 3.786 20 0 GHADMP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647179109 915071177 /nfs/dbraw/zinc/07/11/77/915071177.db2.gz AAMYCGIVOABTDX-NHCUHLMSSA-N 2 1 378.516 3.786 20 0 GHADMP Cc1cccc2nc(CC[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)cn21 ZINC000647263154 915111977 /nfs/dbraw/zinc/11/19/77/915111977.db2.gz QDQFZWMLKVJVSD-UHFFFAOYSA-N 2 1 380.511 3.621 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000647343942 915164531 /nfs/dbraw/zinc/16/45/31/915164531.db2.gz GCNUQYQQCRDDRM-BLIXFSHQSA-N 2 1 395.938 3.917 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000647343942 915164547 /nfs/dbraw/zinc/16/45/47/915164547.db2.gz GCNUQYQQCRDDRM-BLIXFSHQSA-N 2 1 395.938 3.917 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000647344669 915165334 /nfs/dbraw/zinc/16/53/34/915165334.db2.gz WONJPHRZNSCYRS-HBGVWJBISA-N 2 1 381.520 3.650 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647991188 915466925 /nfs/dbraw/zinc/46/69/25/915466925.db2.gz HTJUXTINJCAMIU-QHCPKHFHSA-N 2 1 396.579 3.701 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647991188 915466936 /nfs/dbraw/zinc/46/69/36/915466936.db2.gz HTJUXTINJCAMIU-QHCPKHFHSA-N 2 1 396.579 3.701 20 0 GHADMP CC1(C)C[N@@H+](C[C@H]2CNc3ccnn3C2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000648039845 915494041 /nfs/dbraw/zinc/49/40/41/915494041.db2.gz WTTYABGLNYEIRQ-OFNKIYASSA-N 2 1 393.579 3.547 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000648187596 915539252 /nfs/dbraw/zinc/53/92/52/915539252.db2.gz UECCBSUCWSXLFP-QFIPXVFZSA-N 2 1 377.532 3.723 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000648741896 915851561 /nfs/dbraw/zinc/85/15/61/915851561.db2.gz YFERKLZRLFOPIA-ICSRJNTNSA-N 2 1 398.551 3.749 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000648912893 915939416 /nfs/dbraw/zinc/93/94/16/915939416.db2.gz YVLMYNKXBDSJCC-HXUWFJFHSA-N 2 1 394.563 3.911 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000293276513 916099172 /nfs/dbraw/zinc/09/91/72/916099172.db2.gz COHLDQXCFHKFRK-PGFLUOATSA-N 2 1 392.609 3.754 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000649341193 916106061 /nfs/dbraw/zinc/10/60/61/916106061.db2.gz SZTGOFFQARXSRV-OLMNPRSZSA-N 2 1 377.941 3.601 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cs2)cc1 ZINC000649420383 916149906 /nfs/dbraw/zinc/14/99/06/916149906.db2.gz CDVKAFAKYUSUJL-UXHICEINSA-N 2 1 386.565 3.913 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5cccnc5)C4)[C@@H]3C2)cc1 ZINC000295119547 917151270 /nfs/dbraw/zinc/15/12/70/917151270.db2.gz XDKHGPIWRGVNKO-UDIRQSBCSA-N 2 1 377.532 3.802 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000651192839 917502455 /nfs/dbraw/zinc/50/24/55/917502455.db2.gz CVCRCXUACOJQTM-UNMCSNQZSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651192839 917502466 /nfs/dbraw/zinc/50/24/66/917502466.db2.gz CVCRCXUACOJQTM-UNMCSNQZSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651192839 917502470 /nfs/dbraw/zinc/50/24/70/917502470.db2.gz CVCRCXUACOJQTM-UNMCSNQZSA-N 2 1 388.600 3.659 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652073797 917792369 /nfs/dbraw/zinc/79/23/69/917792369.db2.gz QQXWNZSTLSCJHB-KZKAQZJJSA-N 2 1 391.559 3.653 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652073798 917792958 /nfs/dbraw/zinc/79/29/58/917792958.db2.gz QQXWNZSTLSCJHB-MLDBQTBOSA-N 2 1 391.559 3.653 20 0 GHADMP C[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000652274619 917860737 /nfs/dbraw/zinc/86/07/37/917860737.db2.gz SLXGTQPOZCKWBT-WMZHIEFXSA-N 2 1 392.547 3.995 20 0 GHADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C2 ZINC000652351589 917877885 /nfs/dbraw/zinc/87/78/85/917877885.db2.gz IVXOFYVUTPMFMO-QSFXBCCZSA-N 2 1 396.362 3.718 20 0 GHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C2 ZINC000652351589 917877893 /nfs/dbraw/zinc/87/78/93/917877893.db2.gz IVXOFYVUTPMFMO-QSFXBCCZSA-N 2 1 396.362 3.718 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(CCc3ccccc3)n2)C1 ZINC000652363649 917884496 /nfs/dbraw/zinc/88/44/96/917884496.db2.gz KMRWBMSHRNLADW-HMXCVIKNSA-N 2 1 385.577 3.789 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(CCc3ccccc3)n2)C1 ZINC000652363649 917884504 /nfs/dbraw/zinc/88/45/04/917884504.db2.gz KMRWBMSHRNLADW-HMXCVIKNSA-N 2 1 385.577 3.789 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000800254692 919790262 /nfs/dbraw/zinc/79/02/62/919790262.db2.gz ZRQGHKZETAFWFB-HNNXBMFYSA-N 2 1 382.574 3.948 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000800254692 919790268 /nfs/dbraw/zinc/79/02/68/919790268.db2.gz ZRQGHKZETAFWFB-HNNXBMFYSA-N 2 1 382.574 3.948 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367162464 921951202 /nfs/dbraw/zinc/95/12/02/921951202.db2.gz BOLJSQUVQNTUFG-FQCOAQKJSA-N 2 1 377.960 3.710 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)ccc1Cl ZINC000902393083 922155353 /nfs/dbraw/zinc/15/53/53/922155353.db2.gz OUXVWPQCPYESEP-QGZVFWFLSA-N 2 1 397.853 3.760 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000802643322 922288344 /nfs/dbraw/zinc/28/83/44/922288344.db2.gz OAMFRQFLVXJNDW-HNNXBMFYSA-N 2 1 386.931 3.523 20 0 GHADMP CC(C)c1scnc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368163206 922509992 /nfs/dbraw/zinc/50/99/92/922509992.db2.gz KWUQXWHEBJRIOJ-UHFFFAOYSA-N 2 1 392.613 3.535 20 0 GHADMP c1cc(C[C@H]2CC[NH+](CCCC[N@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368485456 922706525 /nfs/dbraw/zinc/70/65/25/922706525.db2.gz HTSJEIKCQRDQOV-DNQXCXABSA-N 2 1 378.564 3.686 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903047862 922726657 /nfs/dbraw/zinc/72/66/57/922726657.db2.gz FSCOLTSOSHLNDB-KSSFIOAISA-N 2 1 379.426 3.518 20 0 GHADMP O=C(Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1)c1ccncc1 ZINC000903087031 922761549 /nfs/dbraw/zinc/76/15/49/922761549.db2.gz QLKBCLQVMPQHJH-XDNSSPFJSA-N 2 1 376.504 3.581 20 0 GHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(=O)N1CCc2sccc2C1 ZINC000903090178 922765225 /nfs/dbraw/zinc/76/52/25/922765225.db2.gz WLLCMPSRJMKCIL-ZNBHLAFESA-N 2 1 387.593 3.549 20 0 GHADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)N1CCc2sccc2C1 ZINC000903090178 922765237 /nfs/dbraw/zinc/76/52/37/922765237.db2.gz WLLCMPSRJMKCIL-ZNBHLAFESA-N 2 1 387.593 3.549 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000903100127 922771969 /nfs/dbraw/zinc/77/19/69/922771969.db2.gz QFLRXVAQECDPIC-CYBMUJFWSA-N 2 1 389.443 3.616 20 0 GHADMP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC2)cc1 ZINC000903107509 922778599 /nfs/dbraw/zinc/77/85/99/922778599.db2.gz WEGRUDAWGHQQLW-DIMPSALBSA-N 3 1 397.607 3.805 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3Br)C2)C1 ZINC000903460604 923040530 /nfs/dbraw/zinc/04/05/30/923040530.db2.gz FMQQQSKUMULYFW-BJJXKVORSA-N 2 1 387.749 3.821 20 0 GHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903740555 923242564 /nfs/dbraw/zinc/24/25/64/923242564.db2.gz WSMICYUFBQLJIU-DNVFCKCGSA-N 2 1 382.552 3.565 20 0 GHADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2Br)CCC1 ZINC000903814471 923310185 /nfs/dbraw/zinc/31/01/85/923310185.db2.gz LYSLZGDLMRRYOW-QGZVFWFLSA-N 2 1 394.357 3.761 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903956024 923435802 /nfs/dbraw/zinc/43/58/02/923435802.db2.gz FKYKZNXKBMIMIF-KRWDZBQOSA-N 2 1 392.494 3.648 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001137280382 924210898 /nfs/dbraw/zinc/21/08/98/924210898.db2.gz QAZRDXFVJJZHDP-XPWALMASSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001137280382 924210915 /nfs/dbraw/zinc/21/09/15/924210915.db2.gz QAZRDXFVJJZHDP-XPWALMASSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001137280382 924210932 /nfs/dbraw/zinc/21/09/32/924210932.db2.gz QAZRDXFVJJZHDP-XPWALMASSA-N 2 1 383.580 3.764 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000678020399 924585076 /nfs/dbraw/zinc/58/50/76/924585076.db2.gz OHQVBGVKUVOHCX-OALUTQOASA-N 2 1 383.536 3.856 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000678020399 924585079 /nfs/dbraw/zinc/58/50/79/924585079.db2.gz OHQVBGVKUVOHCX-OALUTQOASA-N 2 1 383.536 3.856 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000678269595 924699047 /nfs/dbraw/zinc/69/90/47/924699047.db2.gz DAOQWHPXNBYIBX-UHFFFAOYSA-N 2 1 393.575 3.664 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1)CC1CC1 ZINC000678465594 924785059 /nfs/dbraw/zinc/78/50/59/924785059.db2.gz XWGISFDEMYUJGV-UHFFFAOYSA-N 2 1 396.539 3.633 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000678542052 924817423 /nfs/dbraw/zinc/81/74/23/924817423.db2.gz MNMZAOMQEQGMMA-RXVVDRJESA-N 2 1 377.536 3.909 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000409639459 924841327 /nfs/dbraw/zinc/84/13/27/924841327.db2.gz PCPIUJNXRVNCOF-OAQYLSRUSA-N 2 1 385.939 3.855 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2)nn1 ZINC001137366523 925051079 /nfs/dbraw/zinc/05/10/79/925051079.db2.gz FAPWBFZHXOFZIJ-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cc2)nn1 ZINC001137371169 925099251 /nfs/dbraw/zinc/09/92/51/925099251.db2.gz ZMMWQLXIJACXQO-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)nn1 ZINC001137371169 925099261 /nfs/dbraw/zinc/09/92/61/925099261.db2.gz ZMMWQLXIJACXQO-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)nn1 ZINC001137371169 925099271 /nfs/dbraw/zinc/09/92/71/925099271.db2.gz ZMMWQLXIJACXQO-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680268564 925415256 /nfs/dbraw/zinc/41/52/56/925415256.db2.gz HVZPIYZYBFTCGH-HLAWJBBLSA-N 2 1 397.588 3.840 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000410336099 925540404 /nfs/dbraw/zinc/54/04/04/925540404.db2.gz CKBZPXVELDBFFW-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000682167589 926031057 /nfs/dbraw/zinc/03/10/57/926031057.db2.gz UFDUDHGHBKHRQZ-FQEVSTJZSA-N 2 1 399.501 3.760 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1C[NH+]1CCCCC1 ZINC000411251413 926250245 /nfs/dbraw/zinc/25/02/45/926250245.db2.gz IDHASPFOCCZBJK-OAQYLSRUSA-N 2 1 379.552 3.590 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393913307 926412105 /nfs/dbraw/zinc/41/21/05/926412105.db2.gz FAZIDYRRGRVZDM-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373865291 926506106 /nfs/dbraw/zinc/50/61/06/926506106.db2.gz HSSTVNLBSPRABB-MALNDZBISA-N 2 1 383.580 3.668 20 0 GHADMP O=C(NCC[N@@H+]1CCc2sccc2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411586822 926533717 /nfs/dbraw/zinc/53/37/17/926533717.db2.gz JOUXTGSUWNCWCN-UHFFFAOYSA-N 2 1 383.561 3.522 20 0 GHADMP O=C(NCC[N@H+]1CCc2sccc2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411586822 926533723 /nfs/dbraw/zinc/53/37/23/926533723.db2.gz JOUXTGSUWNCWCN-UHFFFAOYSA-N 2 1 383.561 3.522 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000374286935 926982493 /nfs/dbraw/zinc/98/24/93/926982493.db2.gz IEGCRIBUOXDTTI-FXAWDEMLSA-N 2 1 383.502 3.909 20 0 GHADMP CC[N@H+](Cc1occc1C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000412024961 927013325 /nfs/dbraw/zinc/01/33/25/927013325.db2.gz GVMGSCWBZPEDAM-LJQANCHMSA-N 2 1 383.536 3.579 20 0 GHADMP CC[N@@H+](Cc1occc1C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000412024961 927013326 /nfs/dbraw/zinc/01/33/26/927013326.db2.gz GVMGSCWBZPEDAM-LJQANCHMSA-N 2 1 383.536 3.579 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412346372 927360880 /nfs/dbraw/zinc/36/08/80/927360880.db2.gz LTYYQWWYOQCMHT-UHFFFAOYSA-N 2 1 383.536 3.860 20 0 GHADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543942305 928591903 /nfs/dbraw/zinc/59/19/03/928591903.db2.gz DLZFNZYILFMVLA-UTKZUKDTSA-N 2 1 397.592 3.524 20 0 GHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000467378036 929017388 /nfs/dbraw/zinc/01/73/88/929017388.db2.gz SKFSQVDXNOAGAA-UWJYYQICSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000467378036 929017395 /nfs/dbraw/zinc/01/73/95/929017395.db2.gz SKFSQVDXNOAGAA-UWJYYQICSA-N 2 1 392.465 3.863 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCS2 ZINC000467427373 929060681 /nfs/dbraw/zinc/06/06/81/929060681.db2.gz FSPVAQDNLASBKY-NRFANRHFSA-N 2 1 384.545 3.854 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1 ZINC000467840235 929491446 /nfs/dbraw/zinc/49/14/46/929491446.db2.gz TXPAWFDDPLVKED-NRFANRHFSA-N 2 1 385.939 3.969 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467848400 929505638 /nfs/dbraw/zinc/50/56/38/929505638.db2.gz CSJOIXSTRJQQAG-JXFKEZNVSA-N 2 1 378.438 3.993 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467848400 929505644 /nfs/dbraw/zinc/50/56/44/929505644.db2.gz CSJOIXSTRJQQAG-JXFKEZNVSA-N 2 1 378.438 3.993 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCC4(CC2)OCCO4)CC3)cc1 ZINC000753747222 929514065 /nfs/dbraw/zinc/51/40/65/929514065.db2.gz XDWLQXWXJODNPW-UHFFFAOYSA-N 2 1 384.564 3.908 20 0 GHADMP C[N@H+](CCC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000546016213 929776023 /nfs/dbraw/zinc/77/60/23/929776023.db2.gz UYBCAFQRLKQFHE-UHFFFAOYSA-N 2 1 375.532 3.515 20 0 GHADMP C[N@@H+](CCC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000546016213 929776034 /nfs/dbraw/zinc/77/60/34/929776034.db2.gz UYBCAFQRLKQFHE-UHFFFAOYSA-N 2 1 375.532 3.515 20 0 GHADMP C[NH+](CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000546016213 929776039 /nfs/dbraw/zinc/77/60/39/929776039.db2.gz UYBCAFQRLKQFHE-UHFFFAOYSA-N 2 1 375.532 3.515 20 0 GHADMP C[NH+](CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000546016213 929776045 /nfs/dbraw/zinc/77/60/45/929776045.db2.gz UYBCAFQRLKQFHE-UHFFFAOYSA-N 2 1 375.532 3.515 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469787785 930162489 /nfs/dbraw/zinc/16/24/89/930162489.db2.gz RHIPGASOOYCKNC-NPHXMPSESA-N 2 1 379.548 3.988 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469787785 930162492 /nfs/dbraw/zinc/16/24/92/930162492.db2.gz RHIPGASOOYCKNC-NPHXMPSESA-N 2 1 379.548 3.988 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000469844358 930200393 /nfs/dbraw/zinc/20/03/93/930200393.db2.gz YVWJKLGFAMXVBA-HUVFLSCGSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000469844358 930200399 /nfs/dbraw/zinc/20/03/99/930200399.db2.gz YVWJKLGFAMXVBA-HUVFLSCGSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000469844358 930200408 /nfs/dbraw/zinc/20/04/08/930200408.db2.gz YVWJKLGFAMXVBA-HUVFLSCGSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000469844358 930200417 /nfs/dbraw/zinc/20/04/17/930200417.db2.gz YVWJKLGFAMXVBA-HUVFLSCGSA-N 2 1 391.559 3.772 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)C ZINC000470225494 930466812 /nfs/dbraw/zinc/46/68/12/930466812.db2.gz AUZUNNDDKRHTIE-HXUWFJFHSA-N 2 1 377.548 3.663 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000470276362 930504225 /nfs/dbraw/zinc/50/42/25/930504225.db2.gz GAKQFKLWXSNAGX-SIKLNZKXSA-N 2 1 388.600 3.515 20 0 GHADMP C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780880559 930625353 /nfs/dbraw/zinc/62/53/53/930625353.db2.gz XYHLNAAZHRFFTN-UYAOXDASSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000470668431 930804460 /nfs/dbraw/zinc/80/44/60/930804460.db2.gz OLHSYPDSVBPNHF-KRXQYRFLSA-N 2 1 385.474 3.686 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470888790 931001856 /nfs/dbraw/zinc/00/18/56/931001856.db2.gz AJVJBUFHIOOUBR-YADHBBJMSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470888790 931001861 /nfs/dbraw/zinc/00/18/61/931001861.db2.gz AJVJBUFHIOOUBR-YADHBBJMSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470888790 931001868 /nfs/dbraw/zinc/00/18/68/931001868.db2.gz AJVJBUFHIOOUBR-YADHBBJMSA-N 2 1 386.584 3.557 20 0 GHADMP O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000782930681 931367327 /nfs/dbraw/zinc/36/73/27/931367327.db2.gz DHRDJIOXPJWNST-FQEVSTJZSA-N 2 1 397.563 3.793 20 0 GHADMP CCc1ccc([C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)c2cccnc2)cc1 ZINC000924660743 931466103 /nfs/dbraw/zinc/46/61/03/931466103.db2.gz PWAVASNPOQCTNE-DEOSSOPVSA-N 2 1 380.580 3.741 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000924659373 931466121 /nfs/dbraw/zinc/46/61/21/931466121.db2.gz KPIDNOHAUGJNGM-DEOSSOPVSA-N 2 1 380.580 3.795 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCCS2 ZINC000783238270 931471030 /nfs/dbraw/zinc/47/10/30/931471030.db2.gz GHDNKIBWHPKQCT-QUCCMNQESA-N 2 1 376.566 3.855 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(C(C)(C)O)cc1 ZINC000924777531 931534268 /nfs/dbraw/zinc/53/42/68/931534268.db2.gz QJDYLWLJIDENIZ-MOPGFXCFSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C(C)(C)O)cc1 ZINC000924777531 931534274 /nfs/dbraw/zinc/53/42/74/931534274.db2.gz QJDYLWLJIDENIZ-MOPGFXCFSA-N 2 1 382.548 3.986 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000557611920 931573027 /nfs/dbraw/zinc/57/30/27/931573027.db2.gz VHEXYDNOBXADNE-ILBGXUMGSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557611920 931573032 /nfs/dbraw/zinc/57/30/32/931573032.db2.gz VHEXYDNOBXADNE-ILBGXUMGSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557611920 931573036 /nfs/dbraw/zinc/57/30/36/931573036.db2.gz VHEXYDNOBXADNE-ILBGXUMGSA-N 2 1 395.591 3.908 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089601 931640985 /nfs/dbraw/zinc/64/09/85/931640985.db2.gz KNRMKTOZLFNJPF-YEWWUXTCSA-N 2 1 381.446 3.568 20 0 GHADMP CCc1ccc([C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2cccnc2)cc1 ZINC000925655058 931865101 /nfs/dbraw/zinc/86/51/01/931865101.db2.gz UHDVBCXBNGYZKG-DEOSSOPVSA-N 2 1 390.531 3.859 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000925781663 931901558 /nfs/dbraw/zinc/90/15/58/931901558.db2.gz JFCMIQUKHQRRSG-USXIJHARSA-N 2 1 386.458 3.669 20 0 GHADMP Cc1nccn1CCC[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000558422446 931996103 /nfs/dbraw/zinc/99/61/03/931996103.db2.gz QSXNWRPJEMYZOM-UHFFFAOYSA-N 2 1 391.441 3.977 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000558422446 931996113 /nfs/dbraw/zinc/99/61/13/931996113.db2.gz QSXNWRPJEMYZOM-UHFFFAOYSA-N 2 1 391.441 3.977 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124075 932056766 /nfs/dbraw/zinc/05/67/66/932056766.db2.gz FVMGIFCRJRVRQL-MBSDFSHPSA-N 2 1 382.548 3.722 20 0 GHADMP Cn1nccc1[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000926538775 932221653 /nfs/dbraw/zinc/22/16/53/932221653.db2.gz ZVZWYMGCKAEAIR-UDCCUNIRSA-N 2 1 394.563 3.816 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000926553705 932226952 /nfs/dbraw/zinc/22/69/52/932226952.db2.gz AFUKUBDIWBOPRH-XCFNNZSKSA-N 2 1 394.563 3.816 20 0 GHADMP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926685452 932272259 /nfs/dbraw/zinc/27/22/59/932272259.db2.gz GVWXLRXEDIMCTG-PZMMHDCHSA-N 2 1 386.580 3.728 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000558956104 932337538 /nfs/dbraw/zinc/33/75/38/932337538.db2.gz DOXPSPZZASOTSK-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1Cl ZINC000558974619 932347286 /nfs/dbraw/zinc/34/72/86/932347286.db2.gz STFVYECJSZUIJP-IBGZPJMESA-N 2 1 385.939 3.806 20 0 GHADMP CCCC[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395838 932628322 /nfs/dbraw/zinc/62/83/22/932628322.db2.gz KSHUVVGXMWZESB-NFBKMPQASA-N 2 1 398.551 3.982 20 0 GHADMP CCCC[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395838 932628324 /nfs/dbraw/zinc/62/83/24/932628324.db2.gz KSHUVVGXMWZESB-NFBKMPQASA-N 2 1 398.551 3.982 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798499113 932672755 /nfs/dbraw/zinc/67/27/55/932672755.db2.gz MQZZPOAVZIXUKX-DEOSSOPVSA-N 3 1 381.564 3.629 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC000798499113 932672769 /nfs/dbraw/zinc/67/27/69/932672769.db2.gz MQZZPOAVZIXUKX-DEOSSOPVSA-N 2 1 381.564 3.629 20 0 GHADMP C[NH+](C)CCOc1ccc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000798499113 932672776 /nfs/dbraw/zinc/67/27/76/932672776.db2.gz MQZZPOAVZIXUKX-DEOSSOPVSA-N 2 1 381.564 3.629 20 0 GHADMP C[NH+](C)CCOc1ccc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798499113 932672783 /nfs/dbraw/zinc/67/27/83/932672783.db2.gz MQZZPOAVZIXUKX-DEOSSOPVSA-N 2 1 381.564 3.629 20 0 GHADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934454 932821704 /nfs/dbraw/zinc/82/17/04/932821704.db2.gz GHEMBUFVCUGUDO-CYFREDJKSA-N 2 1 395.547 3.914 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934044 932822003 /nfs/dbraw/zinc/82/20/03/932822003.db2.gz BQJDRDNHZGEVTF-AUSIDOKSSA-N 2 1 375.520 3.830 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1C ZINC000799124980 932883155 /nfs/dbraw/zinc/88/31/55/932883155.db2.gz CZRFQGRGGLVXNN-UGKGYDQZSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1C ZINC000799124980 932883160 /nfs/dbraw/zinc/88/31/60/932883160.db2.gz CZRFQGRGGLVXNN-UGKGYDQZSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1C ZINC000799124980 932883165 /nfs/dbraw/zinc/88/31/65/932883165.db2.gz CZRFQGRGGLVXNN-UGKGYDQZSA-N 2 1 387.568 3.840 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000799126015 932884017 /nfs/dbraw/zinc/88/40/17/932884017.db2.gz XTDTYPMWPDSYDH-UHFFFAOYSA-N 2 1 387.568 3.841 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000799177817 932898438 /nfs/dbraw/zinc/89/84/38/932898438.db2.gz FNOMQCOFWCUCQP-LJQANCHMSA-N 2 1 379.548 3.825 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799177379 932898888 /nfs/dbraw/zinc/89/88/88/932898888.db2.gz NBQMDXACAWEMTJ-IRXDYDNUSA-N 2 1 377.960 3.714 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)c2)cs1 ZINC000799178966 932900293 /nfs/dbraw/zinc/90/02/93/932900293.db2.gz UMEYKKIDXXFXKF-UHFFFAOYSA-N 2 1 398.576 3.865 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)[NH+](C)C)cc1 ZINC000559921614 932955838 /nfs/dbraw/zinc/95/58/38/932955838.db2.gz CIDRFRBGNBOXMR-OAQYLSRUSA-N 2 1 396.535 3.554 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001115914367 933242901 /nfs/dbraw/zinc/24/29/01/933242901.db2.gz ASAHMJFDRWJXMI-FGZHOGPDSA-N 2 1 387.568 3.603 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000560504982 933297611 /nfs/dbraw/zinc/29/76/11/933297611.db2.gz CNXZSCRJWZWCFI-YLJYHZDGSA-N 2 1 377.960 3.508 20 0 GHADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC(F)F ZINC000560611860 933387194 /nfs/dbraw/zinc/38/71/94/933387194.db2.gz LYOFJPLLMZQDJX-JWTNVVGKSA-N 2 1 398.494 3.760 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)ccc1OC(F)F ZINC000560611860 933387199 /nfs/dbraw/zinc/38/71/99/933387199.db2.gz LYOFJPLLMZQDJX-JWTNVVGKSA-N 2 1 398.494 3.760 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)ccc1OC(F)F ZINC000560611860 933387201 /nfs/dbraw/zinc/38/72/01/933387201.db2.gz LYOFJPLLMZQDJX-JWTNVVGKSA-N 2 1 398.494 3.760 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)C2)nn1 ZINC000560979305 933753966 /nfs/dbraw/zinc/75/39/66/933753966.db2.gz CKYAMTBKTDNICD-KRWDZBQOSA-N 2 1 387.940 3.956 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000930059202 933805467 /nfs/dbraw/zinc/80/54/67/933805467.db2.gz AKCOLKZKKSMKAO-UNWVZKJWSA-N 2 1 399.510 3.580 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000930059202 933805471 /nfs/dbraw/zinc/80/54/71/933805471.db2.gz AKCOLKZKKSMKAO-UNWVZKJWSA-N 2 1 399.510 3.580 20 0 GHADMP COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)CCCn2ccnc2)c1 ZINC000561077047 933841952 /nfs/dbraw/zinc/84/19/52/933841952.db2.gz CMLXODPSAFMLHC-NRFANRHFSA-N 2 1 378.476 3.594 20 0 GHADMP CN(CC[NH+]1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001118298561 934130575 /nfs/dbraw/zinc/13/05/75/934130575.db2.gz IJXIGYMPMKSQRO-NOTZXAQLSA-N 2 1 398.595 3.699 20 0 GHADMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@@]2(C)C1 ZINC000931306484 934496005 /nfs/dbraw/zinc/49/60/05/934496005.db2.gz GYYXPKZJHBZLGP-YTFSRNRJSA-N 2 1 397.588 3.617 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430409 934552628 /nfs/dbraw/zinc/55/26/28/934552628.db2.gz BEHOTYWHXMAESE-RWMBFGLXSA-N 2 1 389.849 3.569 20 0 GHADMP COC(=O)c1oc([C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000562060488 934665270 /nfs/dbraw/zinc/66/52/70/934665270.db2.gz UAUADCIAPMORMK-YSIASYRMSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000562060488 934665276 /nfs/dbraw/zinc/66/52/76/934665276.db2.gz UAUADCIAPMORMK-YSIASYRMSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000562060488 934665282 /nfs/dbraw/zinc/66/52/82/934665282.db2.gz UAUADCIAPMORMK-YSIASYRMSA-N 2 1 382.504 3.890 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000562080342 934678864 /nfs/dbraw/zinc/67/88/64/934678864.db2.gz SWMGFTJDJFKUHG-HSZRJFAPSA-N 2 1 396.579 3.556 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000562323294 934822449 /nfs/dbraw/zinc/82/24/49/934822449.db2.gz HFAISNLRCMBCFX-HSZRJFAPSA-N 2 1 394.559 3.723 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000778075980 934855527 /nfs/dbraw/zinc/85/55/27/934855527.db2.gz WJQDQVGRPCPDHW-IQWRZIDRSA-N 2 1 379.589 3.875 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001124390954 935382722 /nfs/dbraw/zinc/38/27/22/935382722.db2.gz LMEZFOZKMWOKJJ-GOTSBHOMSA-N 2 1 379.548 3.708 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001125055848 935517388 /nfs/dbraw/zinc/51/73/88/935517388.db2.gz AAXOEBJGNJCALV-JSGCOSHPSA-N 2 1 380.414 3.868 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001125055848 935517390 /nfs/dbraw/zinc/51/73/90/935517390.db2.gz AAXOEBJGNJCALV-JSGCOSHPSA-N 2 1 380.414 3.868 20 0 GHADMP COC(=O)c1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001137792993 935792550 /nfs/dbraw/zinc/79/25/50/935792550.db2.gz WLVHFXXRYYYOPA-SFTDATJTSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001137792993 935792554 /nfs/dbraw/zinc/79/25/54/935792554.db2.gz WLVHFXXRYYYOPA-SFTDATJTSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001137792993 935792559 /nfs/dbraw/zinc/79/25/59/935792559.db2.gz WLVHFXXRYYYOPA-SFTDATJTSA-N 2 1 378.516 3.817 20 0 GHADMP Cc1cccc(C)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001137850830 935824387 /nfs/dbraw/zinc/82/43/87/935824387.db2.gz WVLBRBVHKPMINJ-GPXNEJASSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001137850830 935824391 /nfs/dbraw/zinc/82/43/91/935824391.db2.gz WVLBRBVHKPMINJ-GPXNEJASSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1cccc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001137850830 935824395 /nfs/dbraw/zinc/82/43/95/935824395.db2.gz WVLBRBVHKPMINJ-GPXNEJASSA-N 2 1 378.564 3.875 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)C1 ZINC001625849879 1014228698 /nfs/dbraw/zinc/22/86/98/1014228698.db2.gz PNEDPHZVHICYHW-KNQAVFIVSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001625849879 1014228708 /nfs/dbraw/zinc/22/87/08/1014228708.db2.gz PNEDPHZVHICYHW-KNQAVFIVSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001625849879 1014228714 /nfs/dbraw/zinc/22/87/14/1014228714.db2.gz PNEDPHZVHICYHW-KNQAVFIVSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001625849879 1014228716 /nfs/dbraw/zinc/22/87/16/1014228716.db2.gz PNEDPHZVHICYHW-KNQAVFIVSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001625849879 1014228721 /nfs/dbraw/zinc/22/87/21/1014228721.db2.gz PNEDPHZVHICYHW-KNQAVFIVSA-N 2 1 389.559 3.809 20 0 GHADMP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[NH+](CC)CC ZINC000531043287 1014546362 /nfs/dbraw/zinc/54/63/62/1014546362.db2.gz WWIOHNWASOVLNW-IBGZPJMESA-N 2 1 399.501 3.860 20 0 GHADMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[NH+](CC)CC ZINC000531043287 1014546366 /nfs/dbraw/zinc/54/63/66/1014546366.db2.gz WWIOHNWASOVLNW-IBGZPJMESA-N 2 1 399.501 3.860 20 0 GHADMP CC(C)C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH2+][C@H](C)c1ccccc1 ZINC000468005837 1015132093 /nfs/dbraw/zinc/13/20/93/1015132093.db2.gz PLPXACATJFIZIY-ZDFPQIBNSA-N 2 1 386.584 3.630 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000468504452 1015759933 /nfs/dbraw/zinc/75/99/33/1015759933.db2.gz KIBLLJZTGYNZJS-XMMPIXPASA-N 2 1 391.559 3.953 20 0 GHADMP CCCC1(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000468529338 1015778368 /nfs/dbraw/zinc/77/83/68/1015778368.db2.gz GCYHRYUHXZVJRQ-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2cc(Br)c(OC)c(OCC)c2)CC1 ZINC000470004182 1016694643 /nfs/dbraw/zinc/69/46/43/1016694643.db2.gz WQHKZCVKLGVQHG-UHFFFAOYSA-N 2 1 385.346 3.678 20 0 GHADMP CC(C)Oc1c(Br)cc(C[N@@H+](C)CCC[NH3+])cc1Br ZINC001235435510 1040935767 /nfs/dbraw/zinc/93/57/67/1040935767.db2.gz MUOOKNBLIAPZNN-UHFFFAOYSA-N 2 1 394.151 3.779 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC001220883021 1032172156 /nfs/dbraw/zinc/17/21/56/1032172156.db2.gz GHOPOEPBOBTYOT-CVDCTZTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001220883021 1032172163 /nfs/dbraw/zinc/17/21/63/1032172163.db2.gz GHOPOEPBOBTYOT-CVDCTZTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001220883021 1032172169 /nfs/dbraw/zinc/17/21/69/1032172169.db2.gz GHOPOEPBOBTYOT-CVDCTZTESA-N 2 1 398.595 3.735 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC001221012821 1032237109 /nfs/dbraw/zinc/23/71/09/1032237109.db2.gz CEKVIUWQOZPREK-HKUYNNGSSA-N 2 1 398.576 3.598 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC001227177676 1032310212 /nfs/dbraw/zinc/31/02/12/1032310212.db2.gz GDXUYSIGOKHFEN-LEWJYISDSA-N 2 1 392.563 3.580 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)nc1 ZINC001154854615 1032312144 /nfs/dbraw/zinc/31/21/44/1032312144.db2.gz JUJMHMSNPWJQRU-INIZCTEOSA-N 2 1 393.457 3.869 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)c1 ZINC001221604082 1032478317 /nfs/dbraw/zinc/47/83/17/1032478317.db2.gz LDKKEGVHRCELQK-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001221604082 1032478323 /nfs/dbraw/zinc/47/83/23/1032478323.db2.gz LDKKEGVHRCELQK-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001221604082 1032478331 /nfs/dbraw/zinc/47/83/31/1032478331.db2.gz LDKKEGVHRCELQK-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C2CC2)n1 ZINC001155362309 1032519159 /nfs/dbraw/zinc/51/91/59/1032519159.db2.gz PSHGTWGGYWCRIK-NRFANRHFSA-N 2 1 391.563 3.576 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001155390745 1032528953 /nfs/dbraw/zinc/52/89/53/1032528953.db2.gz REDGDPSXKDXTNB-LEWJYISDSA-N 2 1 386.584 3.979 20 0 GHADMP COCCn1ccc2c1nc[nH+]c2N[C@@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001155435996 1032541567 /nfs/dbraw/zinc/54/15/67/1032541567.db2.gz BDBKWPSMRBWNLZ-HXUWFJFHSA-N 2 1 391.519 3.564 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001204152813 1032604679 /nfs/dbraw/zinc/60/46/79/1032604679.db2.gz SBKVXYRWEPVBSP-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001204152813 1032604690 /nfs/dbraw/zinc/60/46/90/1032604690.db2.gz SBKVXYRWEPVBSP-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001204152813 1032604694 /nfs/dbraw/zinc/60/46/94/1032604694.db2.gz SBKVXYRWEPVBSP-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001204152815 1032605147 /nfs/dbraw/zinc/60/51/47/1032605147.db2.gz SBKVXYRWEPVBSP-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001204152815 1032605166 /nfs/dbraw/zinc/60/51/66/1032605166.db2.gz SBKVXYRWEPVBSP-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001204152815 1032605174 /nfs/dbraw/zinc/60/51/74/1032605174.db2.gz SBKVXYRWEPVBSP-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP C(c1nc2sc3c(c2c(N[C@H]2C[NH+]4CCC2CC4)n1)CCCC3)[NH+]1CCCC1 ZINC001155668497 1032630430 /nfs/dbraw/zinc/63/04/30/1032630430.db2.gz WHVOKYUIFLSEDS-KRWDZBQOSA-N 2 1 397.592 3.672 20 0 GHADMP Cc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)c2cncc(Br)c2)cc1 ZINC000926207570 1017233475 /nfs/dbraw/zinc/23/34/75/1017233475.db2.gz SKXKLDRWXBIIAN-LJQANCHMSA-N 2 1 385.309 3.808 20 0 GHADMP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000558709361 1017270297 /nfs/dbraw/zinc/27/02/97/1017270297.db2.gz AOALETYAJVCZRL-UGKGYDQZSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310665 1017419711 /nfs/dbraw/zinc/41/97/11/1017419711.db2.gz BXJXMIIHVNLISQ-LADGPHEKSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310665 1017419743 /nfs/dbraw/zinc/41/97/43/1017419743.db2.gz BXJXMIIHVNLISQ-LADGPHEKSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310665 1017419752 /nfs/dbraw/zinc/41/97/52/1017419752.db2.gz BXJXMIIHVNLISQ-LADGPHEKSA-N 2 1 380.532 3.511 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn2ccnc12 ZINC000560443446 1017625694 /nfs/dbraw/zinc/62/56/94/1017625694.db2.gz ZXKRAUZNYOPFKL-UXHICEINSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn2cc[nH+]c12 ZINC000560443446 1017625706 /nfs/dbraw/zinc/62/57/06/1017625706.db2.gz ZXKRAUZNYOPFKL-UXHICEINSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn2cc[nH+]c12 ZINC000560443446 1017625716 /nfs/dbraw/zinc/62/57/16/1017625716.db2.gz ZXKRAUZNYOPFKL-UXHICEINSA-N 2 1 389.503 3.629 20 0 GHADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271104 1032715723 /nfs/dbraw/zinc/71/57/23/1032715723.db2.gz DQOMFLIKHWQLIF-HXUWFJFHSA-N 2 1 398.547 3.971 20 0 GHADMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001204290922 1032732325 /nfs/dbraw/zinc/73/23/25/1032732325.db2.gz FAVPCEMVFIHHDM-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1[nH]c2ccccc2c1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001204290922 1032732329 /nfs/dbraw/zinc/73/23/29/1032732329.db2.gz FAVPCEMVFIHHDM-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1[nH]c2ccccc2c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001204290922 1032732333 /nfs/dbraw/zinc/73/23/33/1032732333.db2.gz FAVPCEMVFIHHDM-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP C[NH+](C)CC1(O)CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000931486987 1017989331 /nfs/dbraw/zinc/98/93/31/1017989331.db2.gz ORQQJYFTOSWQHG-UHFFFAOYSA-N 2 1 399.482 3.717 20 0 GHADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204307044 1032748493 /nfs/dbraw/zinc/74/84/93/1032748493.db2.gz VLSWSLUPYMQSFV-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204307044 1032748513 /nfs/dbraw/zinc/74/85/13/1032748513.db2.gz VLSWSLUPYMQSFV-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204307044 1032748532 /nfs/dbraw/zinc/74/85/32/1032748532.db2.gz VLSWSLUPYMQSFV-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000562510476 1018248837 /nfs/dbraw/zinc/24/88/37/1018248837.db2.gz HJIKRHRYVJUWIM-DNQXCXABSA-N 2 1 396.575 3.935 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC(OC3CCCC3)CC2)c2cccs2)CC1 ZINC000562515870 1018256250 /nfs/dbraw/zinc/25/62/50/1018256250.db2.gz PPFVOFBQLFXAGI-DQVLVPHSSA-N 2 1 391.625 3.897 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1C ZINC001204352254 1032788553 /nfs/dbraw/zinc/78/85/53/1032788553.db2.gz QCVFPRMNINGRIV-QHCPKHFHSA-N 2 1 379.548 3.954 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000569690811 1019502282 /nfs/dbraw/zinc/50/22/82/1019502282.db2.gz OGAYBNRJUPDCCC-WEMWZYORSA-N 2 1 393.522 3.631 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000569690811 1019502294 /nfs/dbraw/zinc/50/22/94/1019502294.db2.gz OGAYBNRJUPDCCC-WEMWZYORSA-N 2 1 393.522 3.631 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579275434 1020399980 /nfs/dbraw/zinc/39/99/80/1020399980.db2.gz XINXAMQXIATQDR-NQHRYMMQSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000579275434 1020399993 /nfs/dbraw/zinc/39/99/93/1020399993.db2.gz XINXAMQXIATQDR-NQHRYMMQSA-N 2 1 393.575 3.703 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1 ZINC000579344926 1020407410 /nfs/dbraw/zinc/40/74/10/1020407410.db2.gz NCQUTECANOUMTG-NFBKMPQASA-N 2 1 382.548 3.858 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(OC)c1OC ZINC000631585281 1020892919 /nfs/dbraw/zinc/89/29/19/1020892919.db2.gz NQSXZXXUCWLRDI-NRFANRHFSA-N 2 1 384.520 3.777 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccc(CC[NH+]4CCCC4)cc3)c2)CC1 ZINC001204537097 1032955718 /nfs/dbraw/zinc/95/57/18/1032955718.db2.gz DHJSWXIRFPUMGW-UHFFFAOYSA-N 2 1 378.564 3.816 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COC)C3)c2c1 ZINC001140269718 1021293273 /nfs/dbraw/zinc/29/32/73/1021293273.db2.gz WUZHHFFRNYWITL-YKSBVNFPSA-N 2 1 397.563 3.747 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COC)C3)c2c1 ZINC001140269718 1021293285 /nfs/dbraw/zinc/29/32/85/1021293285.db2.gz WUZHHFFRNYWITL-YKSBVNFPSA-N 2 1 397.563 3.747 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001140269718 1021293295 /nfs/dbraw/zinc/29/32/95/1021293295.db2.gz WUZHHFFRNYWITL-YKSBVNFPSA-N 2 1 397.563 3.747 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c2c1 ZINC001140269718 1021293303 /nfs/dbraw/zinc/29/33/03/1021293303.db2.gz WUZHHFFRNYWITL-YKSBVNFPSA-N 2 1 397.563 3.747 20 0 GHADMP Clc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c2c(n1)C[NH2+]CC2 ZINC001156315340 1032976803 /nfs/dbraw/zinc/97/68/03/1032976803.db2.gz AURWMYLHMYWYCR-NZSAHSFTSA-N 2 1 382.939 3.703 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4ncccc4C[NH+]4CCCC4)[C@H]3C2)cc1 ZINC001156317894 1032982276 /nfs/dbraw/zinc/98/22/76/1032982276.db2.gz NKYOONICPHFAPD-PMVMPFDFSA-N 2 1 376.548 4.000 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001140459260 1021748847 /nfs/dbraw/zinc/74/88/47/1021748847.db2.gz SQBHXZXBTWBQON-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n(-c2ccccc2)n1 ZINC001140527509 1021922920 /nfs/dbraw/zinc/92/29/20/1021922920.db2.gz SNAAUCKSTJFQGS-UHFFFAOYSA-N 2 1 376.504 3.953 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCN(C[C@@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721364 1022042237 /nfs/dbraw/zinc/04/22/37/1022042237.db2.gz LMZSKCZXRSAFNJ-CGBRIMPHSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CC[NH+](C[C@@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721364 1022042253 /nfs/dbraw/zinc/04/22/53/1022042253.db2.gz LMZSKCZXRSAFNJ-CGBRIMPHSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CC[NH+](C[C@@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721364 1022042270 /nfs/dbraw/zinc/04/22/70/1022042270.db2.gz LMZSKCZXRSAFNJ-CGBRIMPHSA-N 2 1 397.607 3.520 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000827820615 1022349918 /nfs/dbraw/zinc/34/99/18/1022349918.db2.gz DDDKUPFQYRJOPQ-HSZRJFAPSA-N 2 1 398.595 3.953 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140775045 1022495761 /nfs/dbraw/zinc/49/57/61/1022495761.db2.gz FSPQKRGNCPZGEP-VQTJNVASSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(O)cc(OC)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140775045 1022495763 /nfs/dbraw/zinc/49/57/63/1022495763.db2.gz FSPQKRGNCPZGEP-VQTJNVASSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(O)cc(OC)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140775045 1022495771 /nfs/dbraw/zinc/49/57/71/1022495771.db2.gz FSPQKRGNCPZGEP-VQTJNVASSA-N 2 1 396.531 3.753 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140841970 1022676238 /nfs/dbraw/zinc/67/62/38/1022676238.db2.gz ANMYLZJPQLCPLR-OALUTQOASA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140841970 1022676243 /nfs/dbraw/zinc/67/62/43/1022676243.db2.gz ANMYLZJPQLCPLR-OALUTQOASA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140841970 1022676251 /nfs/dbraw/zinc/67/62/51/1022676251.db2.gz ANMYLZJPQLCPLR-OALUTQOASA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140841970 1022676257 /nfs/dbraw/zinc/67/62/57/1022676257.db2.gz ANMYLZJPQLCPLR-OALUTQOASA-N 2 1 397.592 3.584 20 0 GHADMP COCC[N@@H+](Cc1ccc(OC(F)F)c(OCC2CC2)c1)C1CCN(C)CC1 ZINC001140905362 1022843536 /nfs/dbraw/zinc/84/35/36/1022843536.db2.gz ACNRUOPKGFCDDI-UHFFFAOYSA-N 2 1 398.494 3.619 20 0 GHADMP COCCN(Cc1ccc(OC(F)F)c(OCC2CC2)c1)C1CC[NH+](C)CC1 ZINC001140905362 1022843551 /nfs/dbraw/zinc/84/35/51/1022843551.db2.gz ACNRUOPKGFCDDI-UHFFFAOYSA-N 2 1 398.494 3.619 20 0 GHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140976704 1023062996 /nfs/dbraw/zinc/06/29/96/1023062996.db2.gz WFTVGXRYEFFGMW-QFIPXVFZSA-N 2 1 393.531 3.562 20 0 GHADMP c1cc(-c2ccccn2)sc1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140999988 1023136435 /nfs/dbraw/zinc/13/64/35/1023136435.db2.gz NZCFVJOMPFZJEI-HDICACEKSA-N 2 1 376.529 3.769 20 0 GHADMP CCOC(=O)C[N@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(Br)c1 ZINC001204999408 1033200562 /nfs/dbraw/zinc/20/05/62/1033200562.db2.gz AKLKQRXQKMIETG-HNNXBMFYSA-N 2 1 397.357 3.717 20 0 GHADMP CCOC(=O)C[N@@H+](CC1CC[NH+](C)CC1)[C@@H](C)c1cccc(Br)c1 ZINC001204999408 1033200573 /nfs/dbraw/zinc/20/05/73/1033200573.db2.gz AKLKQRXQKMIETG-HNNXBMFYSA-N 2 1 397.357 3.717 20 0 GHADMP Cn1c2ccccc2nc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001138377776 1024743753 /nfs/dbraw/zinc/74/37/53/1024743753.db2.gz QWSFZGXZHUOQFK-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138546997 1024992825 /nfs/dbraw/zinc/99/28/25/1024992825.db2.gz ADTHNDYDPGWBPO-LJQANCHMSA-N 2 1 384.524 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138546997 1024992830 /nfs/dbraw/zinc/99/28/30/1024992830.db2.gz ADTHNDYDPGWBPO-LJQANCHMSA-N 2 1 384.524 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCc3ncnc(-c4ccoc4)c3CC2)cc1 ZINC001138549192 1024995851 /nfs/dbraw/zinc/99/58/51/1024995851.db2.gz NOQVPOPIQWYYIA-UHFFFAOYSA-N 2 1 385.471 3.832 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)cc1 ZINC001138549192 1024995852 /nfs/dbraw/zinc/99/58/52/1024995852.db2.gz NOQVPOPIQWYYIA-UHFFFAOYSA-N 2 1 385.471 3.832 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)cc1 ZINC001138548585 1024996234 /nfs/dbraw/zinc/99/62/34/1024996234.db2.gz DNRGZCFSEBNRNM-CTNGQTDRSA-N 2 1 393.560 3.734 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)cc1 ZINC001138548585 1024996239 /nfs/dbraw/zinc/99/62/39/1024996239.db2.gz DNRGZCFSEBNRNM-CTNGQTDRSA-N 2 1 393.560 3.734 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138549682 1024997468 /nfs/dbraw/zinc/99/74/68/1024997468.db2.gz BYVOXLPLJLDANP-LJQANCHMSA-N 2 1 377.488 3.970 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138549682 1024997471 /nfs/dbraw/zinc/99/74/71/1024997471.db2.gz BYVOXLPLJLDANP-LJQANCHMSA-N 2 1 377.488 3.970 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138551449 1025004948 /nfs/dbraw/zinc/00/49/48/1025004948.db2.gz GPACTFIQTYHBKM-QFIPXVFZSA-N 2 1 384.524 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138551449 1025004955 /nfs/dbraw/zinc/00/49/55/1025004955.db2.gz GPACTFIQTYHBKM-QFIPXVFZSA-N 2 1 384.524 3.917 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CCN(Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC001138679510 1025204258 /nfs/dbraw/zinc/20/42/58/1025204258.db2.gz CGTILKMCCOIIGI-UHFFFAOYSA-N 2 1 395.522 3.669 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CCN(Cc1ccc(-c3ccc(F)cc3)cc1)CC2 ZINC001138679510 1025204269 /nfs/dbraw/zinc/20/42/69/1025204269.db2.gz CGTILKMCCOIIGI-UHFFFAOYSA-N 2 1 395.522 3.669 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)cc3)CC2)CC1 ZINC001138683578 1025209405 /nfs/dbraw/zinc/20/94/05/1025209405.db2.gz UIFKFSAAGBFEIG-UHFFFAOYSA-N 2 1 395.522 3.654 20 0 GHADMP c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n([C@@H]2CCCCO2)n1 ZINC001138785028 1025358194 /nfs/dbraw/zinc/35/81/94/1025358194.db2.gz MTFUZRLAOCUEKG-ZDXQCDESSA-N 2 1 394.563 3.926 20 0 GHADMP c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n([C@@H]2CCCCO2)n1 ZINC001138785028 1025358211 /nfs/dbraw/zinc/35/82/11/1025358211.db2.gz MTFUZRLAOCUEKG-ZDXQCDESSA-N 2 1 394.563 3.926 20 0 GHADMP c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n([C@@H]2CCCCO2)n1 ZINC001138785028 1025358224 /nfs/dbraw/zinc/35/82/24/1025358224.db2.gz MTFUZRLAOCUEKG-ZDXQCDESSA-N 2 1 394.563 3.926 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(OCCO)cc1)CC2 ZINC001138795752 1025372424 /nfs/dbraw/zinc/37/24/24/1025372424.db2.gz HTZXCECYABMXRM-JOCHJYFZSA-N 2 1 384.520 3.527 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cccc3ccnn31)CC2 ZINC001138806484 1025398026 /nfs/dbraw/zinc/39/80/26/1025398026.db2.gz XOCGIEJFDNXOQQ-UHFFFAOYSA-N 2 1 379.508 3.570 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc(Cl)c1)CC2 ZINC001138817246 1025415693 /nfs/dbraw/zinc/41/56/93/1025415693.db2.gz NTUNMAYWCNLVDO-KRWDZBQOSA-N 2 1 375.900 3.584 20 0 GHADMP c1cc2cc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc2o1 ZINC001138822108 1025425745 /nfs/dbraw/zinc/42/57/45/1025425745.db2.gz SJDRLMOWLVYWPW-UHFFFAOYSA-N 2 1 391.515 3.942 20 0 GHADMP CCC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138967325 1025677110 /nfs/dbraw/zinc/67/71/10/1025677110.db2.gz ICNYITDKUHPCNQ-YADHBBJMSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138967325 1025677120 /nfs/dbraw/zinc/67/71/20/1025677120.db2.gz ICNYITDKUHPCNQ-YADHBBJMSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138967325 1025677130 /nfs/dbraw/zinc/67/71/30/1025677130.db2.gz ICNYITDKUHPCNQ-YADHBBJMSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138967325 1025677141 /nfs/dbraw/zinc/67/71/41/1025677141.db2.gz ICNYITDKUHPCNQ-YADHBBJMSA-N 2 1 378.516 3.956 20 0 GHADMP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001162456603 1025753961 /nfs/dbraw/zinc/75/39/61/1025753961.db2.gz XMXOGBIEUGRDJP-IRXDYDNUSA-N 2 1 389.620 3.791 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NC[C@H]3C[NH2+][C@H](C)C3)c2c1C ZINC001162553152 1025791015 /nfs/dbraw/zinc/79/10/15/1025791015.db2.gz WAUATCLTQZSLEW-RHSMWYFYSA-N 2 1 387.597 3.950 20 0 GHADMP CCn1ccc2ccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)cc21 ZINC001139122992 1025936448 /nfs/dbraw/zinc/93/64/48/1025936448.db2.gz VVRHEDQCMMKQSL-UHFFFAOYSA-N 2 1 391.563 3.902 20 0 GHADMP c1nc2ccc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)nc2s1 ZINC001162933109 1025971336 /nfs/dbraw/zinc/97/13/36/1025971336.db2.gz KOCZDAUYBYUGLC-SFHVURJKSA-N 2 1 393.560 3.605 20 0 GHADMP CC(C)(O)c1ccccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933721 1025971421 /nfs/dbraw/zinc/97/14/21/1025971421.db2.gz GXNOZXUTLRTPJL-OAQYLSRUSA-N 2 1 393.575 3.828 20 0 GHADMP C[C@H]([NH3+])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162940666 1025977302 /nfs/dbraw/zinc/97/73/02/1025977302.db2.gz JYATWAAWVWOKGD-SIKLNZKXSA-N 3 1 378.564 3.620 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1ccc3c(C4C[NH2+]C4)[nH+]cn3c1)CC21CC[NH2+]CC1 ZINC001163033976 1026016212 /nfs/dbraw/zinc/01/62/12/1026016212.db2.gz MCJIDRXHWOLBPJ-NRFANRHFSA-N 3 1 387.531 3.508 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4c(ccn4C)c3)CC[C@@H]21 ZINC001139189568 1026027059 /nfs/dbraw/zinc/02/70/59/1026027059.db2.gz JDWVKEWRERFBBQ-GPXNEJASSA-N 2 1 391.563 3.748 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4c(ccn4C)c3)CC[C@@H]21 ZINC001139189568 1026027077 /nfs/dbraw/zinc/02/70/77/1026027077.db2.gz JDWVKEWRERFBBQ-GPXNEJASSA-N 2 1 391.563 3.748 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4c(ccn4C)c3)CC[C@@H]21 ZINC001139189568 1026027097 /nfs/dbraw/zinc/02/70/97/1026027097.db2.gz JDWVKEWRERFBBQ-GPXNEJASSA-N 2 1 391.563 3.748 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4c(ccn4C)c3)CC[C@@H]21 ZINC001139189568 1026027110 /nfs/dbraw/zinc/02/71/10/1026027110.db2.gz JDWVKEWRERFBBQ-GPXNEJASSA-N 2 1 391.563 3.748 20 0 GHADMP COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000839600486 1026098401 /nfs/dbraw/zinc/09/84/01/1026098401.db2.gz DCCSDMSOLZQCEC-IBGZPJMESA-N 2 1 384.442 3.600 20 0 GHADMP Fc1ccc(-c2cc3cc[nH+]c(NC[C@H]4CO[C@]5(C4)CCC[NH2+]C5)c3[nH]2)cc1 ZINC001163278912 1026121463 /nfs/dbraw/zinc/12/14/63/1026121463.db2.gz LHEXHBJBUUAWEM-NYHFZMIOSA-N 2 1 380.467 3.940 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001139337652 1026199683 /nfs/dbraw/zinc/19/96/83/1026199683.db2.gz WFFDRFXJNRYPAF-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001139337652 1026199690 /nfs/dbraw/zinc/19/96/90/1026199690.db2.gz WFFDRFXJNRYPAF-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001139337652 1026199693 /nfs/dbraw/zinc/19/96/93/1026199693.db2.gz WFFDRFXJNRYPAF-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2cccnc2C2CC[NH2+]CC2)nc1 ZINC001163910346 1026359574 /nfs/dbraw/zinc/35/95/74/1026359574.db2.gz YBEYITUCPYGMFG-SFHVURJKSA-N 2 1 379.552 3.930 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@@]1(C)O ZINC001139513040 1026368166 /nfs/dbraw/zinc/36/81/66/1026368166.db2.gz CMQMEPLLLFMTGR-PXDATVDWSA-N 2 1 393.575 3.602 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCC[C@]4(CCO4)C3)CC2)cc1 ZINC001139513198 1026368724 /nfs/dbraw/zinc/36/87/24/1026368724.db2.gz OLDVHRKUTNHUOA-VWLOTQADSA-N 2 1 391.559 3.764 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC001139514350 1026369995 /nfs/dbraw/zinc/36/99/95/1026369995.db2.gz IEGMJZGTNBFMRX-NHCUHLMSSA-N 2 1 379.548 3.618 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC001139515829 1026373447 /nfs/dbraw/zinc/37/34/47/1026373447.db2.gz ZWYAASIHZUPCEI-PXDATVDWSA-N 2 1 393.575 3.602 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000839983949 1026392291 /nfs/dbraw/zinc/39/22/91/1026392291.db2.gz CIPCPELNLLMCSJ-UHFFFAOYSA-N 2 1 393.510 3.886 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2c(Br)cccc2Br)CC1 ZINC001139601784 1026465797 /nfs/dbraw/zinc/46/57/97/1026465797.db2.gz PVWYSXYHJLFFPE-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP CCOc1ccc(C)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001139603814 1026466762 /nfs/dbraw/zinc/46/67/62/1026466762.db2.gz JYRLKTFGAJFFAO-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001139603814 1026466764 /nfs/dbraw/zinc/46/67/64/1026466764.db2.gz JYRLKTFGAJFFAO-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001139603814 1026466769 /nfs/dbraw/zinc/46/67/69/1026466769.db2.gz JYRLKTFGAJFFAO-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001164493651 1026531988 /nfs/dbraw/zinc/53/19/88/1026531988.db2.gz VOHVOYPGKHOQNT-YPAWHYETSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001164493651 1026531994 /nfs/dbraw/zinc/53/19/94/1026531994.db2.gz VOHVOYPGKHOQNT-YPAWHYETSA-N 2 1 392.547 3.549 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(C)([NH+]3CCOCC3)CC2)nc1 ZINC001165134923 1026626948 /nfs/dbraw/zinc/62/69/48/1026626948.db2.gz BCFLMWBMRHFIST-OAQYLSRUSA-N 2 1 386.584 3.710 20 0 GHADMP Cc1cnc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)s1 ZINC001139809501 1026633888 /nfs/dbraw/zinc/63/38/88/1026633888.db2.gz YJCVKNIPSUWQHN-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1cnc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)s1 ZINC001139809501 1026633899 /nfs/dbraw/zinc/63/38/99/1026633899.db2.gz YJCVKNIPSUWQHN-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP CC(C)[N@H+]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@H]1C ZINC001165201513 1026661763 /nfs/dbraw/zinc/66/17/63/1026661763.db2.gz NOFOSLSZNWENAH-CQSZACIVSA-N 2 1 384.902 3.576 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001165201986 1026663162 /nfs/dbraw/zinc/66/31/62/1026663162.db2.gz KYVTXEYCXWGDMT-PMACEKPBSA-N 2 1 394.563 3.559 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1ccc(Nc2cc(C[NH+](CC)CC)ccc2F)cc1 ZINC001165213301 1026669395 /nfs/dbraw/zinc/66/93/95/1026669395.db2.gz AOTVFQRSLHGZKH-HXUWFJFHSA-N 2 1 387.499 3.844 20 0 GHADMP Cc1nccn1-c1ccccc1CN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC001140024976 1026811556 /nfs/dbraw/zinc/81/15/56/1026811556.db2.gz JLORDWHGMLXKJJ-JTHBVZDNSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC001140024976 1026811566 /nfs/dbraw/zinc/81/15/66/1026811566.db2.gz JLORDWHGMLXKJJ-JTHBVZDNSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC001140024976 1026811582 /nfs/dbraw/zinc/81/15/82/1026811582.db2.gz JLORDWHGMLXKJJ-JTHBVZDNSA-N 2 1 388.515 3.518 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(O)ccc1F)CC2 ZINC001140046918 1026829801 /nfs/dbraw/zinc/82/98/01/1026829801.db2.gz VVRNDZIYMVIWSG-FQEVSTJZSA-N 2 1 384.495 3.787 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)n1)CC2 ZINC001140131647 1026907752 /nfs/dbraw/zinc/90/77/52/1026907752.db2.gz YADFDGIODASWES-QGZVFWFLSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)n1)CC2 ZINC001140131647 1026907754 /nfs/dbraw/zinc/90/77/54/1026907754.db2.gz YADFDGIODASWES-QGZVFWFLSA-N 2 1 375.513 3.538 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccncc4)cc3)CC2)C1 ZINC001140175331 1026948583 /nfs/dbraw/zinc/94/85/83/1026948583.db2.gz YPPPGGMSAOKJGZ-QFIPXVFZSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4ccncc4)cc3)CC2)C1 ZINC001140175331 1026948587 /nfs/dbraw/zinc/94/85/87/1026948587.db2.gz YPPPGGMSAOKJGZ-QFIPXVFZSA-N 2 1 393.531 3.598 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC001461182475 1069430385 /nfs/dbraw/zinc/43/03/85/1069430385.db2.gz PMCWYGAVBGVWHE-LBPRGKRZSA-N 2 1 377.273 3.790 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC001461182475 1069430392 /nfs/dbraw/zinc/43/03/92/1069430392.db2.gz PMCWYGAVBGVWHE-LBPRGKRZSA-N 2 1 377.273 3.790 20 0 GHADMP O=C1N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[C@H](c2cccnc2)C12CCC2 ZINC000840031602 1027097254 /nfs/dbraw/zinc/09/72/54/1027097254.db2.gz RVWKFSKFQNLKJP-JOCHJYFZSA-N 2 1 396.579 3.681 20 0 GHADMP O=C1[C@@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000840038169 1027103285 /nfs/dbraw/zinc/10/32/85/1027103285.db2.gz YXDDMZNMIATILC-XZOQPEGZSA-N 2 1 393.575 3.579 20 0 GHADMP O=C1[C@@H](C2CC2)[C@@H](C2CC2)N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000840038169 1027103295 /nfs/dbraw/zinc/10/32/95/1027103295.db2.gz YXDDMZNMIATILC-XZOQPEGZSA-N 2 1 393.575 3.579 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC001203292697 1027263386 /nfs/dbraw/zinc/26/33/86/1027263386.db2.gz UQFQPALYDODUMA-KRWDZBQOSA-N 2 1 375.538 3.548 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC001203292697 1027263394 /nfs/dbraw/zinc/26/33/94/1027263394.db2.gz UQFQPALYDODUMA-KRWDZBQOSA-N 2 1 375.538 3.548 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)o1 ZINC001141783833 1027265741 /nfs/dbraw/zinc/26/57/41/1027265741.db2.gz FMOKYELPOBKWMD-OAQYLSRUSA-N 2 1 386.492 3.812 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)o1 ZINC001141785703 1027274166 /nfs/dbraw/zinc/27/41/66/1027274166.db2.gz YSPUKYHNAJLCSN-UHFFFAOYSA-N 2 1 397.519 3.614 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1F)CC2 ZINC001203348229 1027286182 /nfs/dbraw/zinc/28/61/82/1027286182.db2.gz MWAGDVOKLQZUSL-SFHVURJKSA-N 2 1 389.540 3.785 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1F)CC2 ZINC001203348229 1027286195 /nfs/dbraw/zinc/28/61/95/1027286195.db2.gz MWAGDVOKLQZUSL-SFHVURJKSA-N 2 1 389.540 3.785 20 0 GHADMP COc1cccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449758 1027347979 /nfs/dbraw/zinc/34/79/79/1027347979.db2.gz SQRXZVIKVDYCMX-BWAGFHJFSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449758 1027347991 /nfs/dbraw/zinc/34/79/91/1027347991.db2.gz SQRXZVIKVDYCMX-BWAGFHJFSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449758 1027348000 /nfs/dbraw/zinc/34/80/00/1027348000.db2.gz SQRXZVIKVDYCMX-BWAGFHJFSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449758 1027348005 /nfs/dbraw/zinc/34/80/05/1027348005.db2.gz SQRXZVIKVDYCMX-BWAGFHJFSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449758 1027348013 /nfs/dbraw/zinc/34/80/13/1027348013.db2.gz SQRXZVIKVDYCMX-BWAGFHJFSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1OC ZINC001203449758 1027348023 /nfs/dbraw/zinc/34/80/23/1027348023.db2.gz SQRXZVIKVDYCMX-BWAGFHJFSA-N 2 1 395.547 3.831 20 0 GHADMP Brc1ncc2ccccc2c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262730 1027411678 /nfs/dbraw/zinc/41/16/78/1027411678.db2.gz PHVDPFLVLQGVRS-UHFFFAOYSA-N 2 1 384.281 3.546 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1F ZINC001203794067 1027607467 /nfs/dbraw/zinc/60/74/67/1027607467.db2.gz YGCUQNPVJKGYQZ-GOSISDBHSA-N 2 1 388.483 3.683 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccc(Cl)c3)O2)CC1 ZINC001203798810 1027611076 /nfs/dbraw/zinc/61/10/76/1027611076.db2.gz IQTLPGVBFVAHIX-YPAWHYETSA-N 2 1 392.971 3.820 20 0 GHADMP Clc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001203800899 1027616725 /nfs/dbraw/zinc/61/67/25/1027616725.db2.gz YTYYCSMTZLHXLP-UHFFFAOYSA-N 2 1 385.939 3.850 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1C ZINC001203894928 1027688122 /nfs/dbraw/zinc/68/81/22/1027688122.db2.gz ZJPHCRWJVWRBRF-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP COc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001204115814 1027889446 /nfs/dbraw/zinc/88/94/46/1027889446.db2.gz QVPDEXNJXBZGGR-OAQYLSRUSA-N 2 1 396.531 3.656 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccc1O ZINC001204129356 1027902331 /nfs/dbraw/zinc/90/23/31/1027902331.db2.gz LZNDPZZWTPFZFF-UHFFFAOYSA-N 2 1 396.531 3.658 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc(OCC[NH3+])c2)C1 ZINC000841291823 1028380439 /nfs/dbraw/zinc/38/04/39/1028380439.db2.gz WPGJBJYMHRGWND-SFHVURJKSA-N 2 1 396.535 3.578 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1Cl ZINC001461428966 1069545517 /nfs/dbraw/zinc/54/55/17/1069545517.db2.gz AWMVPDYBCCGOCG-LJQANCHMSA-N 2 1 390.959 3.501 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1Cl ZINC001461428966 1069545525 /nfs/dbraw/zinc/54/55/25/1069545525.db2.gz AWMVPDYBCCGOCG-LJQANCHMSA-N 2 1 390.959 3.501 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](C(=O)OCc2ccccc2)c2ccccc2)CC1(C)C ZINC001461436282 1069549011 /nfs/dbraw/zinc/54/90/11/1069549011.db2.gz JCVGMLITCPAWBI-FGZHOGPDSA-N 2 1 380.532 3.976 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841674230 1028820569 /nfs/dbraw/zinc/82/05/69/1028820569.db2.gz NRKYKDOIXPOOPG-IBGZPJMESA-N 2 1 394.563 3.562 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142603799 1029133113 /nfs/dbraw/zinc/13/31/13/1029133113.db2.gz OIEQKZLPLZFJIQ-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142603799 1029133121 /nfs/dbraw/zinc/13/31/21/1029133121.db2.gz OIEQKZLPLZFJIQ-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142603799 1029133134 /nfs/dbraw/zinc/13/31/34/1029133134.db2.gz OIEQKZLPLZFJIQ-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142603799 1029133141 /nfs/dbraw/zinc/13/31/41/1029133141.db2.gz OIEQKZLPLZFJIQ-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000401783077 1029180081 /nfs/dbraw/zinc/18/00/81/1029180081.db2.gz XTZRCPLUILSUNN-GUDVDZBRSA-N 2 1 376.545 3.511 20 0 GHADMP c1nc2c(cccc2C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)[nH]1 ZINC001142680299 1029256051 /nfs/dbraw/zinc/25/60/51/1029256051.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2c(cccc2C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)[nH]1 ZINC001142680299 1029256063 /nfs/dbraw/zinc/25/60/63/1029256063.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2c(cccc2C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)[nH]1 ZINC001142680299 1029256074 /nfs/dbraw/zinc/25/60/74/1029256074.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)c2[nH]1 ZINC001142680299 1029256084 /nfs/dbraw/zinc/25/60/84/1029256084.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)c2[nH]1 ZINC001142680299 1029256089 /nfs/dbraw/zinc/25/60/89/1029256089.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)c2[nH]1 ZINC001142680299 1029256092 /nfs/dbraw/zinc/25/60/92/1029256092.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)c2[nH]1 ZINC001142680299 1029256105 /nfs/dbraw/zinc/25/61/05/1029256105.db2.gz XFALQVNQMWCUIK-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000184731091 1029596789 /nfs/dbraw/zinc/59/67/89/1029596789.db2.gz MDTHMYJLEZXJMW-IBGZPJMESA-N 2 1 390.572 3.712 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001142912226 1029678676 /nfs/dbraw/zinc/67/86/76/1029678676.db2.gz YTCKULHLTUWTLH-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001142912226 1029678679 /nfs/dbraw/zinc/67/86/79/1029678679.db2.gz YTCKULHLTUWTLH-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001142912226 1029678686 /nfs/dbraw/zinc/67/86/86/1029678686.db2.gz YTCKULHLTUWTLH-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cnc3ccc(Cl)nn13)CC2 ZINC001142988334 1029758560 /nfs/dbraw/zinc/75/85/60/1029758560.db2.gz VOXONGHGWUBTOQ-SFHVURJKSA-N 2 1 399.926 3.852 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cc(-c5ccccc5)nn4C)C[C@H]3C2)cc1 ZINC001143009783 1029779634 /nfs/dbraw/zinc/77/96/34/1029779634.db2.gz UDSKPANJPWSIHI-ZRZAMGCNSA-N 2 1 386.543 3.959 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843059712 1029790626 /nfs/dbraw/zinc/79/06/26/1029790626.db2.gz QTTCJTPXWPKYIV-KFKAGJAMSA-N 2 1 376.907 3.592 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843059712 1029790633 /nfs/dbraw/zinc/79/06/33/1029790633.db2.gz QTTCJTPXWPKYIV-KFKAGJAMSA-N 2 1 376.907 3.592 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001143139898 1029864833 /nfs/dbraw/zinc/86/48/33/1029864833.db2.gz FJYWLEYAMOTQEG-FGCOXFRFSA-N 2 1 393.575 3.818 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC001221968654 1029911085 /nfs/dbraw/zinc/91/10/85/1029911085.db2.gz ZZWKHMKUROMCGW-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001222116048 1029969405 /nfs/dbraw/zinc/96/94/05/1029969405.db2.gz YENHRUBAAJLEQX-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001222116048 1029969409 /nfs/dbraw/zinc/96/94/09/1029969409.db2.gz YENHRUBAAJLEQX-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001222116048 1029969416 /nfs/dbraw/zinc/96/94/16/1029969416.db2.gz YENHRUBAAJLEQX-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(C)C ZINC001222127352 1029972339 /nfs/dbraw/zinc/97/23/39/1029972339.db2.gz OHTJYWFZDQVNRO-FQEVSTJZSA-N 2 1 380.621 3.791 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426573 1029998462 /nfs/dbraw/zinc/99/84/62/1029998462.db2.gz AIHAHSCNVRTDKG-WLRLJWMZSA-N 2 1 387.568 3.709 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(C(F)(F)F)cc1C)CC[NH2+]CC2 ZINC001222226506 1030018935 /nfs/dbraw/zinc/01/89/35/1030018935.db2.gz UQXFNGIRGHAKTL-QGZVFWFLSA-N 2 1 384.442 3.521 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(Cc3ccccc3)cc1)CC[NH2+]CC2 ZINC001222226893 1030022182 /nfs/dbraw/zinc/02/21/82/1030022182.db2.gz YKGONSNEBIAMNS-HSZRJFAPSA-N 2 1 392.543 3.785 20 0 GHADMP Fc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c(OCc2ccccc2)c1 ZINC001222407888 1030113167 /nfs/dbraw/zinc/11/31/67/1030113167.db2.gz QDESLXNGARSWAG-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)c1 ZINC001461634902 1069650792 /nfs/dbraw/zinc/65/07/92/1069650792.db2.gz SAACTPLUOXULQI-GOTSBHOMSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001461634902 1069650796 /nfs/dbraw/zinc/65/07/96/1069650796.db2.gz SAACTPLUOXULQI-GOTSBHOMSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001461634902 1069650799 /nfs/dbraw/zinc/65/07/99/1069650799.db2.gz SAACTPLUOXULQI-GOTSBHOMSA-N 2 1 383.580 3.873 20 0 GHADMP [NH3+]CC1(F)CC[NH+](Cc2cc(Br)cc(OC(F)(F)F)c2)CC1 ZINC001222542872 1030189395 /nfs/dbraw/zinc/18/93/95/1030189395.db2.gz LXYGJOJOTZLFPL-UHFFFAOYSA-N 2 1 385.199 3.611 20 0 GHADMP c1cc2ccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)nc2[nH]1 ZINC001222582993 1030210795 /nfs/dbraw/zinc/21/07/95/1030210795.db2.gz JJWBSQHAAKHNDD-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1[nH]c2ccncc2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582953 1030212380 /nfs/dbraw/zinc/21/23/80/1030212380.db2.gz ILMZPJUIUOAMLN-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP CCOc1cc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccn1 ZINC001222595683 1030222639 /nfs/dbraw/zinc/22/26/39/1030222639.db2.gz GPDFYFGXMHUBCB-JOCHJYFZSA-N 2 1 395.547 3.784 20 0 GHADMP CCOc1cc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccn1 ZINC001222595683 1030222650 /nfs/dbraw/zinc/22/26/50/1030222650.db2.gz GPDFYFGXMHUBCB-JOCHJYFZSA-N 2 1 395.547 3.784 20 0 GHADMP Brc1ccc(Br)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222623982 1030246730 /nfs/dbraw/zinc/24/67/30/1030246730.db2.gz RBJOETXNZYKKQI-TXEJJXNPSA-N 2 1 388.147 3.643 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC001461681577 1069675039 /nfs/dbraw/zinc/67/50/39/1069675039.db2.gz FZESWGOMDZHDDF-OXQOHEQNSA-N 2 1 383.536 3.666 20 0 GHADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217692901 1030615114 /nfs/dbraw/zinc/61/51/14/1030615114.db2.gz POOKEFJZALIBSK-XLIONFOSSA-N 2 1 387.487 3.783 20 0 GHADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217692901 1030615120 /nfs/dbraw/zinc/61/51/20/1030615120.db2.gz POOKEFJZALIBSK-XLIONFOSSA-N 2 1 387.487 3.783 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001150755948 1030643993 /nfs/dbraw/zinc/64/39/93/1030643993.db2.gz YYZJOKWPPACMRL-SJLPKXTDSA-N 2 1 385.474 3.545 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc1 ZINC001217809888 1030654922 /nfs/dbraw/zinc/65/49/22/1030654922.db2.gz XVBCSRRMFZPDSI-VDXGAUASSA-N 2 1 398.591 3.853 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CC[NH2+]CC[C@H]2F)c1-3 ZINC001218020668 1030727312 /nfs/dbraw/zinc/72/73/12/1030727312.db2.gz VFMBBBSANNWIPY-GGPKGHCWSA-N 2 1 382.479 3.613 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[NH2+]CC[C@H]2F)c1-3 ZINC001218020671 1030727416 /nfs/dbraw/zinc/72/74/16/1030727416.db2.gz VFMBBBSANNWIPY-QWFCFKBJSA-N 2 1 382.479 3.613 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccnc(-c2ccccn2)n1 ZINC001461717182 1069699592 /nfs/dbraw/zinc/69/95/92/1069699592.db2.gz DKTIDJYNSWLRED-UHFFFAOYSA-N 2 1 375.520 3.786 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)C1CCCCC1 ZINC001224563522 1031047624 /nfs/dbraw/zinc/04/76/24/1031047624.db2.gz NFVFBGQAFRWBOC-FQEVSTJZSA-N 2 1 380.621 3.698 20 0 GHADMP CC[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCCCC1 ZINC001224563522 1031047639 /nfs/dbraw/zinc/04/76/39/1031047639.db2.gz NFVFBGQAFRWBOC-FQEVSTJZSA-N 2 1 380.621 3.698 20 0 GHADMP CC[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCCCC1 ZINC001224563522 1031047658 /nfs/dbraw/zinc/04/76/58/1031047658.db2.gz NFVFBGQAFRWBOC-FQEVSTJZSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001224676530 1031074735 /nfs/dbraw/zinc/07/47/35/1031074735.db2.gz RLNIKOKSGHZCQK-MOPGFXCFSA-N 2 1 380.621 3.649 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001219023399 1031216398 /nfs/dbraw/zinc/21/63/98/1031216398.db2.gz AXERWDHHIRWVFA-FYYLOGMGSA-N 2 1 398.595 3.606 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C3CCC(C[NH3+])CC3)cccc2[C@H](c2ccccc2)C1 ZINC001219046572 1031227786 /nfs/dbraw/zinc/22/77/86/1031227786.db2.gz DQWYEXMNQXUBSM-XTXLOEGASA-N 2 1 377.532 3.968 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1ccc(C[NH3+])cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001219347886 1031371008 /nfs/dbraw/zinc/37/10/08/1031371008.db2.gz UFDZQYPTOPDBFA-SFHVURJKSA-N 2 1 383.536 3.826 20 0 GHADMP C[C@@H]1C[NH2+]C[C@H](CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001219645776 1031537536 /nfs/dbraw/zinc/53/75/36/1031537536.db2.gz MZZUUTDJBQNTET-GOEBONIOSA-N 2 1 398.378 3.567 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1 ZINC001219706057 1031567049 /nfs/dbraw/zinc/56/70/49/1031567049.db2.gz VKXAZHMFAUWCHX-HSZRJFAPSA-N 2 1 379.548 3.812 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001219775725 1031612455 /nfs/dbraw/zinc/61/24/55/1031612455.db2.gz OPSKBUUIXLKCCU-JOCHJYFZSA-N 2 1 377.532 3.508 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001219775725 1031612465 /nfs/dbraw/zinc/61/24/65/1031612465.db2.gz OPSKBUUIXLKCCU-JOCHJYFZSA-N 2 1 377.532 3.508 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001219775728 1031612542 /nfs/dbraw/zinc/61/25/42/1031612542.db2.gz OPSKBUUIXLKCCU-QFIPXVFZSA-N 2 1 377.532 3.508 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)NC1CC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC001219775728 1031612555 /nfs/dbraw/zinc/61/25/55/1031612555.db2.gz OPSKBUUIXLKCCU-QFIPXVFZSA-N 2 1 377.532 3.508 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001219940918 1031707420 /nfs/dbraw/zinc/70/74/20/1031707420.db2.gz IGQJYUMBNPOWGP-OEMFJLHTSA-N 2 1 391.559 3.898 20 0 GHADMP C[NH+](C)CCCOc1ccc(-c2ccc([C@H]3CN4CCSC4=[NH+]3)cc2)cn1 ZINC001205239649 1033321609 /nfs/dbraw/zinc/32/16/09/1033321609.db2.gz OFZLNXOIWOGKHT-LJQANCHMSA-N 2 1 382.533 3.539 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(Cl)cccc2I)CC1 ZINC001205582799 1033479187 /nfs/dbraw/zinc/47/91/87/1033479187.db2.gz ZCOLKUVUOREANX-AWEZNQCLSA-N 2 1 396.675 3.598 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Cl)cccc2I)CC1 ZINC001205582799 1033479193 /nfs/dbraw/zinc/47/91/93/1033479193.db2.gz ZCOLKUVUOREANX-AWEZNQCLSA-N 2 1 396.675 3.598 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(I)c2)CCC[C@H]1C[NH3+] ZINC001206021646 1033690998 /nfs/dbraw/zinc/69/09/98/1033690998.db2.gz ANXFTUDVFVPJBG-YPMHNXCESA-N 2 1 392.712 3.751 20 0 GHADMP CC1([NH+]2CCCC2)CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001157661192 1033708727 /nfs/dbraw/zinc/70/87/27/1033708727.db2.gz YWYMRFQVPDSMJE-UHFFFAOYSA-N 2 1 375.520 3.934 20 0 GHADMP CN(CCC[N@@H+](C)CC(C)(C)c1ccc(Br)cc1)CC[NH+](C)C ZINC001206136977 1033736638 /nfs/dbraw/zinc/73/66/38/1033736638.db2.gz WFYRQXUOJCCJIM-UHFFFAOYSA-N 2 1 384.406 3.542 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(-n2cccn2)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206599355 1033921084 /nfs/dbraw/zinc/92/10/84/1033921084.db2.gz RTXFZZMCFFLRBL-QGZVFWFLSA-N 2 1 391.357 3.987 20 0 GHADMP Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206717231 1033956789 /nfs/dbraw/zinc/95/67/89/1033956789.db2.gz PDZFMVSZFPDTFU-XMMPIXPASA-N 2 1 380.532 3.871 20 0 GHADMP Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206717231 1033956791 /nfs/dbraw/zinc/95/67/91/1033956791.db2.gz PDZFMVSZFPDTFU-XMMPIXPASA-N 2 1 380.532 3.871 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3ncc4c3cccc4C[NH3+])c2c1C ZINC001158313769 1034016351 /nfs/dbraw/zinc/01/63/51/1034016351.db2.gz YTMGJOIAADNJRJ-UHFFFAOYSA-N 2 1 392.532 3.702 20 0 GHADMP COCC[N@@H+](Cc1c(F)cc(Br)cc1F)CC1CC[NH+](C)CC1 ZINC001207076449 1034081669 /nfs/dbraw/zinc/08/16/69/1034081669.db2.gz RMRXYTWROZLJCE-UHFFFAOYSA-N 2 1 391.300 3.518 20 0 GHADMP COCC[N@H+](Cc1c(F)cc(Br)cc1F)CC1CC[NH+](C)CC1 ZINC001207076449 1034081680 /nfs/dbraw/zinc/08/16/80/1034081680.db2.gz RMRXYTWROZLJCE-UHFFFAOYSA-N 2 1 391.300 3.518 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCOCc1ccccc1)CC2 ZINC001207234707 1034200991 /nfs/dbraw/zinc/20/09/91/1034200991.db2.gz XWCWRKTWZMUJLW-DEOSSOPVSA-N 2 1 394.559 3.959 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]21 ZINC001207235837 1034202481 /nfs/dbraw/zinc/20/24/81/1034202481.db2.gz QIJJNVROEVAWNG-GMKZXUHWSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCOCc3ccccc3)C[C@H]21 ZINC001207235837 1034202485 /nfs/dbraw/zinc/20/24/85/1034202485.db2.gz QIJJNVROEVAWNG-GMKZXUHWSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCOCc3ccccc3)C[C@H]21 ZINC001207235837 1034202489 /nfs/dbraw/zinc/20/24/89/1034202489.db2.gz QIJJNVROEVAWNG-GMKZXUHWSA-N 2 1 379.548 3.831 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@H]21 ZINC001207235837 1034202494 /nfs/dbraw/zinc/20/24/94/1034202494.db2.gz QIJJNVROEVAWNG-GMKZXUHWSA-N 2 1 379.548 3.831 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@H]21 ZINC001207235837 1034202498 /nfs/dbraw/zinc/20/24/98/1034202498.db2.gz QIJJNVROEVAWNG-GMKZXUHWSA-N 2 1 379.548 3.831 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286651 1034236893 /nfs/dbraw/zinc/23/68/93/1034236893.db2.gz JVXZYHKTQCYBAR-VXKWHMMOSA-N 2 1 399.579 3.982 20 0 GHADMP Fc1ccc(N2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001207286801 1034237057 /nfs/dbraw/zinc/23/70/57/1034237057.db2.gz MQVMJLXYOOGOQA-UHFFFAOYSA-N 2 1 382.527 3.645 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289332 1034240410 /nfs/dbraw/zinc/24/04/10/1034240410.db2.gz KZPGQAYGSHFZJJ-SFTDATJTSA-N 2 1 385.552 3.592 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001207293363 1034245394 /nfs/dbraw/zinc/24/53/94/1034245394.db2.gz IKAUSNKPWQPTCL-JOCHJYFZSA-N 2 1 395.547 3.846 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294276 1034246811 /nfs/dbraw/zinc/24/68/11/1034246811.db2.gz PBEHKJDMOKPMGV-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001230866855 1034258980 /nfs/dbraw/zinc/25/89/80/1034258980.db2.gz FVJPKQFBHQRWQY-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001230866855 1034258992 /nfs/dbraw/zinc/25/89/92/1034258992.db2.gz FVJPKQFBHQRWQY-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001230866855 1034259003 /nfs/dbraw/zinc/25/90/03/1034259003.db2.gz FVJPKQFBHQRWQY-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP C[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(F)cc2)CC1 ZINC001207399625 1034341517 /nfs/dbraw/zinc/34/15/17/1034341517.db2.gz PUCKVNNYXDZOMC-HXUWFJFHSA-N 2 1 391.531 3.761 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(F)cc2)CC1 ZINC001207399625 1034341530 /nfs/dbraw/zinc/34/15/30/1034341530.db2.gz PUCKVNNYXDZOMC-HXUWFJFHSA-N 2 1 391.531 3.761 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCc1ccc(F)cc1)CC2 ZINC001207512472 1034417381 /nfs/dbraw/zinc/41/73/81/1034417381.db2.gz RAIVUVDETFXNJZ-QHCPKHFHSA-N 2 1 397.538 3.766 20 0 GHADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001207520434 1034424369 /nfs/dbraw/zinc/42/43/69/1034424369.db2.gz CYSZOFIPJBOSRI-DNQXCXABSA-N 2 1 397.607 3.760 20 0 GHADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207521092 1034425777 /nfs/dbraw/zinc/42/57/77/1034425777.db2.gz OFAJRUXTJSCEKI-JWQCQUIFSA-N 2 1 393.575 3.970 20 0 GHADMP CC(C)c1ccc(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207521092 1034425785 /nfs/dbraw/zinc/42/57/85/1034425785.db2.gz OFAJRUXTJSCEKI-JWQCQUIFSA-N 2 1 393.575 3.970 20 0 GHADMP CC(C)c1ccc(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207521092 1034425789 /nfs/dbraw/zinc/42/57/89/1034425789.db2.gz OFAJRUXTJSCEKI-JWQCQUIFSA-N 2 1 393.575 3.970 20 0 GHADMP Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(Nc2ccc(C3CC[NH2+]CC3)cc2)[nH+]1 ZINC001159227787 1034495579 /nfs/dbraw/zinc/49/55/79/1034495579.db2.gz MUSHHQSZUSDJCF-HOTGVXAUSA-N 2 1 381.524 3.609 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001207648710 1034509616 /nfs/dbraw/zinc/50/96/16/1034509616.db2.gz HVSRJNISQNNRQG-HXUWFJFHSA-N 2 1 390.616 3.818 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001207783783 1034574483 /nfs/dbraw/zinc/57/44/83/1034574483.db2.gz PIKIVLUBSJVQCE-BZSNNMDCSA-N 2 1 382.504 3.895 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC001207793606 1034578872 /nfs/dbraw/zinc/57/88/72/1034578872.db2.gz OSDIZUMEBGJUHD-SSTJLMRISA-N 2 1 385.552 3.685 20 0 GHADMP CN(C)c1ccc2cc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)ccc2c1 ZINC001231441178 1034590736 /nfs/dbraw/zinc/59/07/36/1034590736.db2.gz OWQLUKHDJPSKNQ-PSWAGMNNSA-N 2 1 386.543 3.865 20 0 GHADMP c1[nH]c2cccnc2c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001231488007 1034632991 /nfs/dbraw/zinc/63/29/91/1034632991.db2.gz DXZBCHOYCGELDU-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]c2cccnc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001231488007 1034632997 /nfs/dbraw/zinc/63/29/97/1034632997.db2.gz DXZBCHOYCGELDU-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]c2cccnc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001231488007 1034633003 /nfs/dbraw/zinc/63/30/03/1034633003.db2.gz DXZBCHOYCGELDU-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP C[NH+]1CCC2(CCC(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001159518605 1034633554 /nfs/dbraw/zinc/63/35/54/1034633554.db2.gz IPUKZVXZFDQEOW-OAQYLSRUSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCN(c2ccc(Nc3ccc(COC4CC[NH2+]CC4)cc3)cc2F)CC1 ZINC001159529901 1034644117 /nfs/dbraw/zinc/64/41/17/1034644117.db2.gz WEIHBNXWPSTZNI-UHFFFAOYSA-N 2 1 398.526 3.590 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)ccc1OC(=O)C(C)C ZINC001231535397 1034690567 /nfs/dbraw/zinc/69/05/67/1034690567.db2.gz VTVZVYRZAYWPDO-SFHVURJKSA-N 2 1 384.476 3.613 20 0 GHADMP COc1cc(CN2CC[C@H](Oc3ccncc3C)C2)ccc1OC(=O)C(C)C ZINC001231535397 1034690574 /nfs/dbraw/zinc/69/05/74/1034690574.db2.gz VTVZVYRZAYWPDO-SFHVURJKSA-N 2 1 384.476 3.613 20 0 GHADMP CC/C=C\CCC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001208136032 1034751461 /nfs/dbraw/zinc/75/14/61/1034751461.db2.gz OTOIXRZSKGMWGP-ARJAWSKDSA-N 2 1 383.580 3.789 20 0 GHADMP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CC1 ZINC001208171640 1034771174 /nfs/dbraw/zinc/77/11/74/1034771174.db2.gz VERKIRCLJMGRAM-JGSPDANKSA-N 2 1 390.612 3.959 20 0 GHADMP CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001208175962 1034776116 /nfs/dbraw/zinc/77/61/16/1034776116.db2.gz OOBNPWWRWJCTGE-FYYLOGMGSA-N 2 1 383.580 3.988 20 0 GHADMP Cc1sc2ccccc2c1C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001231644190 1034803330 /nfs/dbraw/zinc/80/33/30/1034803330.db2.gz QNMHNOGWYCJVAY-UHFFFAOYSA-N 2 1 399.604 3.974 20 0 GHADMP Cc1cc(N(C)C)[nH+]cc1Nc1cc(CN2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC001159962058 1034804753 /nfs/dbraw/zinc/80/47/53/1034804753.db2.gz PGBDFFWBJFEHDT-UHFFFAOYSA-N 2 1 393.457 3.624 20 0 GHADMP c1cc(CC[NH+]2CCOCC2)cc(Nc2ccc(CC3CC[NH2+]CC3)cc2)c1 ZINC001160014958 1034830774 /nfs/dbraw/zinc/83/07/74/1034830774.db2.gz PPOPJMDOJMPVKF-UHFFFAOYSA-N 2 1 379.548 3.847 20 0 GHADMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707282 1034849985 /nfs/dbraw/zinc/84/99/85/1034849985.db2.gz IAQOZCFTFPYVEV-NRFANRHFSA-N 2 1 382.504 3.574 20 0 GHADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707282 1034849996 /nfs/dbraw/zinc/84/99/96/1034849996.db2.gz IAQOZCFTFPYVEV-NRFANRHFSA-N 2 1 382.504 3.574 20 0 GHADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707282 1034850000 /nfs/dbraw/zinc/85/00/00/1034850000.db2.gz IAQOZCFTFPYVEV-NRFANRHFSA-N 2 1 382.504 3.574 20 0 GHADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC(C)=O ZINC001231707282 1034850005 /nfs/dbraw/zinc/85/00/05/1034850005.db2.gz IAQOZCFTFPYVEV-NRFANRHFSA-N 2 1 382.504 3.574 20 0 GHADMP COc1c(Cl)cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1Br ZINC001231726159 1034863742 /nfs/dbraw/zinc/86/37/42/1034863742.db2.gz IWNZXEKOGMQBSS-UHFFFAOYSA-N 2 1 375.738 3.885 20 0 GHADMP Fc1cccc(OCC2CC[NH2+]CC2)c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001160156096 1034882776 /nfs/dbraw/zinc/88/27/76/1034882776.db2.gz GZSGNNPXSFZLOL-UHFFFAOYSA-N 2 1 399.510 3.780 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccc(C[C@@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001160266148 1034923026 /nfs/dbraw/zinc/92/30/26/1034923026.db2.gz RTQCNZBBMVXNDH-QFIPXVFZSA-N 2 1 378.564 3.720 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC001231839465 1034935916 /nfs/dbraw/zinc/93/59/16/1034935916.db2.gz YUOLXCNWWFSYJT-UHFFFAOYSA-N 2 1 397.523 3.871 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2nc(-c3ccncc3)cc2C[NH3+])nc1 ZINC001160339557 1034944140 /nfs/dbraw/zinc/94/41/40/1034944140.db2.gz OUTXVFDVUXGQRU-NRFANRHFSA-N 2 1 376.508 3.725 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001208592281 1034947111 /nfs/dbraw/zinc/94/71/11/1034947111.db2.gz GVZNEOUBYRWGFB-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001208627584 1034959751 /nfs/dbraw/zinc/95/97/51/1034959751.db2.gz INVCPMVEVPCUCH-ZJOUEHCJSA-N 2 1 388.552 3.935 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCO5)CC[C@@H]3C2)cc1 ZINC001231888609 1034969699 /nfs/dbraw/zinc/96/96/99/1034969699.db2.gz UPVJHXDHDLEUOC-NHCUHLMSSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c4OCCO5)CC[C@@H]3C2)cc1 ZINC001231888609 1034969701 /nfs/dbraw/zinc/96/97/01/1034969701.db2.gz UPVJHXDHDLEUOC-NHCUHLMSSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCCO5)CC[C@@H]3C2)cc1 ZINC001231888609 1034969704 /nfs/dbraw/zinc/96/97/04/1034969704.db2.gz UPVJHXDHDLEUOC-NHCUHLMSSA-N 2 1 378.516 3.802 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](CCc4cccnc4OC(C)C)C[C@H]3C2)cc1 ZINC001208790591 1035023427 /nfs/dbraw/zinc/02/34/27/1035023427.db2.gz FYSCYHDQVCCIOO-GOTSBHOMSA-N 2 1 379.548 3.784 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](CCc2cccnc2OC(C)C)CC1 ZINC001208801007 1035029397 /nfs/dbraw/zinc/02/93/97/1035029397.db2.gz HGNCAPUYLPTIQR-UHFFFAOYSA-N 2 1 390.616 3.541 20 0 GHADMP CC1(C)C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160683445 1035035227 /nfs/dbraw/zinc/03/52/27/1035035227.db2.gz MMQMCXDLTKQRRI-GOTSBHOMSA-N 2 1 391.559 3.535 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@H]2CF)CC1 ZINC001232011360 1035041679 /nfs/dbraw/zinc/04/16/79/1035041679.db2.gz CFRXBLFLTVYQIJ-NVXWUHKLSA-N 2 1 388.487 3.638 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232012775 1035042251 /nfs/dbraw/zinc/04/22/51/1035042251.db2.gz QZGHXWQQPSGDQA-UHFFFAOYSA-N 2 1 379.508 3.798 20 0 GHADMP c1c(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232013312 1035044622 /nfs/dbraw/zinc/04/46/22/1035044622.db2.gz KJYUNSRHYKJJIN-AUSIDOKSSA-N 2 1 392.503 3.546 20 0 GHADMP c1c(C[N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232013312 1035044626 /nfs/dbraw/zinc/04/46/26/1035044626.db2.gz KJYUNSRHYKJJIN-AUSIDOKSSA-N 2 1 392.503 3.546 20 0 GHADMP FC(F)(F)[C@H]1C[NH2+]CC[C@@H]1Nc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001160735323 1035048531 /nfs/dbraw/zinc/04/85/31/1035048531.db2.gz DOOVETCHYXGBGU-HKUYNNGSSA-N 2 1 390.453 3.592 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208908586 1035084555 /nfs/dbraw/zinc/08/45/55/1035084555.db2.gz OZZBUZOMXJYIIF-ILBGXUMGSA-N 2 1 397.607 3.583 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208908586 1035084562 /nfs/dbraw/zinc/08/45/62/1035084562.db2.gz OZZBUZOMXJYIIF-ILBGXUMGSA-N 2 1 397.607 3.583 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208908586 1035084574 /nfs/dbraw/zinc/08/45/74/1035084574.db2.gz OZZBUZOMXJYIIF-ILBGXUMGSA-N 2 1 397.607 3.583 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208933287 1035097584 /nfs/dbraw/zinc/09/75/84/1035097584.db2.gz CTVLSSYQNBRRIB-DNQXCXABSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208933287 1035097591 /nfs/dbraw/zinc/09/75/91/1035097591.db2.gz CTVLSSYQNBRRIB-DNQXCXABSA-N 2 1 398.591 3.949 20 0 GHADMP COc1ccc(-c2c(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cnn2C)cc1 ZINC001232112500 1035101436 /nfs/dbraw/zinc/10/14/36/1035101436.db2.gz MKWGTJIEGMVCLM-SFTDATJTSA-N 2 1 382.552 3.935 20 0 GHADMP COc1ccc(-c2c(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cnn2C)cc1 ZINC001232112500 1035101441 /nfs/dbraw/zinc/10/14/41/1035101441.db2.gz MKWGTJIEGMVCLM-SFTDATJTSA-N 2 1 382.552 3.935 20 0 GHADMP COc1ccc(-c2c(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cnn2C)cc1 ZINC001232112500 1035101444 /nfs/dbraw/zinc/10/14/44/1035101444.db2.gz MKWGTJIEGMVCLM-SFTDATJTSA-N 2 1 382.552 3.935 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@H]4[C@H]3CC[NH+]4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101740 /nfs/dbraw/zinc/10/17/40/1035101740.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 2 1 390.575 3.642 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101745 /nfs/dbraw/zinc/10/17/45/1035101745.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 2 1 390.575 3.642 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)C2)cc1 ZINC001208935659 1035101751 /nfs/dbraw/zinc/10/17/51/1035101751.db2.gz KXACGNZGOCLATB-CCDWMCETSA-N 2 1 390.575 3.642 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208938977 1035107148 /nfs/dbraw/zinc/10/71/48/1035107148.db2.gz AOVNZCWHGSEZQV-FYYLOGMGSA-N 2 1 395.547 3.846 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208938977 1035107153 /nfs/dbraw/zinc/10/71/53/1035107153.db2.gz AOVNZCWHGSEZQV-FYYLOGMGSA-N 2 1 395.547 3.846 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208938977 1035107156 /nfs/dbraw/zinc/10/71/56/1035107156.db2.gz AOVNZCWHGSEZQV-FYYLOGMGSA-N 2 1 395.547 3.846 20 0 GHADMP COC(=O)CCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940600 1035110045 /nfs/dbraw/zinc/11/00/45/1035110045.db2.gz FHECOOXRIXBSTO-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP COC(=O)CCC[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940600 1035110048 /nfs/dbraw/zinc/11/00/48/1035110048.db2.gz FHECOOXRIXBSTO-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP COC(=O)CCC[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940600 1035110051 /nfs/dbraw/zinc/11/00/51/1035110051.db2.gz FHECOOXRIXBSTO-QHCPKHFHSA-N 2 1 380.532 3.964 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208941612 1035111041 /nfs/dbraw/zinc/11/10/41/1035111041.db2.gz MUMGJUSPUBLFHS-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208941612 1035111044 /nfs/dbraw/zinc/11/10/44/1035111044.db2.gz MUMGJUSPUBLFHS-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208941612 1035111047 /nfs/dbraw/zinc/11/10/47/1035111047.db2.gz MUMGJUSPUBLFHS-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208941612 1035111051 /nfs/dbraw/zinc/11/10/51/1035111051.db2.gz MUMGJUSPUBLFHS-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941903 1035111209 /nfs/dbraw/zinc/11/12/09/1035111209.db2.gz NOICBWNEDGYHTR-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941903 1035111211 /nfs/dbraw/zinc/11/12/11/1035111211.db2.gz NOICBWNEDGYHTR-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941903 1035111215 /nfs/dbraw/zinc/11/12/15/1035111215.db2.gz NOICBWNEDGYHTR-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941903 1035111216 /nfs/dbraw/zinc/11/12/16/1035111216.db2.gz NOICBWNEDGYHTR-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941898 1035112413 /nfs/dbraw/zinc/11/24/13/1035112413.db2.gz NOICBWNEDGYHTR-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941898 1035112414 /nfs/dbraw/zinc/11/24/14/1035112414.db2.gz NOICBWNEDGYHTR-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941898 1035112419 /nfs/dbraw/zinc/11/24/19/1035112419.db2.gz NOICBWNEDGYHTR-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941898 1035112423 /nfs/dbraw/zinc/11/24/23/1035112423.db2.gz NOICBWNEDGYHTR-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP O=c1oc2ccccc2n1C1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208947712 1035116806 /nfs/dbraw/zinc/11/68/06/1035116806.db2.gz BZSYSWLQAIEDCW-HXUWFJFHSA-N 2 1 391.515 3.754 20 0 GHADMP O=c1oc2ccccc2n1C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208947712 1035116813 /nfs/dbraw/zinc/11/68/13/1035116813.db2.gz BZSYSWLQAIEDCW-HXUWFJFHSA-N 2 1 391.515 3.754 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208947441 1035117266 /nfs/dbraw/zinc/11/72/66/1035117266.db2.gz KAVRXZGWICLGCI-KMDXXIMOSA-N 2 1 375.560 3.967 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208947441 1035117270 /nfs/dbraw/zinc/11/72/70/1035117270.db2.gz KAVRXZGWICLGCI-KMDXXIMOSA-N 2 1 375.560 3.967 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208947441 1035117275 /nfs/dbraw/zinc/11/72/75/1035117275.db2.gz KAVRXZGWICLGCI-KMDXXIMOSA-N 2 1 375.560 3.967 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC001232147829 1035126346 /nfs/dbraw/zinc/12/63/46/1035126346.db2.gz MIKHBLBRCHQTCZ-QHCPKHFHSA-N 2 1 399.485 3.655 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150145 1035128987 /nfs/dbraw/zinc/12/89/87/1035128987.db2.gz UBAMWYFDNUSPKZ-HNAYVOBHSA-N 2 1 379.520 3.622 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150145 1035128993 /nfs/dbraw/zinc/12/89/93/1035128993.db2.gz UBAMWYFDNUSPKZ-HNAYVOBHSA-N 2 1 379.520 3.622 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c1 ZINC001232150783 1035129097 /nfs/dbraw/zinc/12/90/97/1035129097.db2.gz UYBKEGWIWAGAGO-UHFFFAOYSA-N 2 1 380.467 3.538 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209116218 1035180095 /nfs/dbraw/zinc/18/00/95/1035180095.db2.gz JXRIHVKDKDZTQV-RTWAWAEBSA-N 2 1 396.497 3.928 20 0 GHADMP C[N@H+](CCN1CC[NH+](Cc2ccc3scnc3c2)CC1)Cc1ccccc1 ZINC001461948809 1069908738 /nfs/dbraw/zinc/90/87/38/1069908738.db2.gz IZBYYAAUMLUPBB-UHFFFAOYSA-N 2 1 380.561 3.546 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccc3scnc3c2)CC1)Cc1ccccc1 ZINC001461948809 1069908745 /nfs/dbraw/zinc/90/87/45/1069908745.db2.gz IZBYYAAUMLUPBB-UHFFFAOYSA-N 2 1 380.561 3.546 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209150827 1035193980 /nfs/dbraw/zinc/19/39/80/1035193980.db2.gz IERZBRGRAYUSMQ-UHFFFAOYSA-N 2 1 387.568 3.880 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCCc1ccncc1)CC2 ZINC001209186845 1035203831 /nfs/dbraw/zinc/20/38/31/1035203831.db2.gz TUIBBKGPDLBBGV-QHCPKHFHSA-N 2 1 379.548 3.770 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CCCCCc2ccccc2)CC1 ZINC001209230825 1035213725 /nfs/dbraw/zinc/21/37/25/1035213725.db2.gz VVTDVRNMIBILHW-DNQXCXABSA-N 2 1 397.607 3.807 20 0 GHADMP COC1CCC(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001209390867 1035267022 /nfs/dbraw/zinc/26/70/22/1035267022.db2.gz DZYPMDRJKJNQAT-KOENEWCDSA-N 2 1 386.580 3.947 20 0 GHADMP O=C(NC1CC[NH+](CCC[NH+]2CCCCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC001209454290 1035277756 /nfs/dbraw/zinc/27/77/56/1035277756.db2.gz ONXPXBYHOCSVCR-UHFFFAOYSA-N 2 1 397.485 3.776 20 0 GHADMP CC[C@@H](CN1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209464028 1035281094 /nfs/dbraw/zinc/28/10/94/1035281094.db2.gz VMYUZQFMCGLZAO-HBMCJLEFSA-N 2 1 387.568 3.662 20 0 GHADMP CC[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209464028 1035281100 /nfs/dbraw/zinc/28/11/00/1035281100.db2.gz VMYUZQFMCGLZAO-HBMCJLEFSA-N 2 1 387.568 3.662 20 0 GHADMP CC[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209464028 1035281107 /nfs/dbraw/zinc/28/11/07/1035281107.db2.gz VMYUZQFMCGLZAO-HBMCJLEFSA-N 2 1 387.568 3.662 20 0 GHADMP CC[C@H](C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209466297 1035281906 /nfs/dbraw/zinc/28/19/06/1035281906.db2.gz LEXTYOKYPXLIFP-QHAWAJNXSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209466297 1035281910 /nfs/dbraw/zinc/28/19/10/1035281910.db2.gz LEXTYOKYPXLIFP-QHAWAJNXSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209466297 1035281914 /nfs/dbraw/zinc/28/19/14/1035281914.db2.gz LEXTYOKYPXLIFP-QHAWAJNXSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209466297 1035281919 /nfs/dbraw/zinc/28/19/19/1035281919.db2.gz LEXTYOKYPXLIFP-QHAWAJNXSA-N 2 1 387.568 3.744 20 0 GHADMP c1cc2ccc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)cc2[nH]1 ZINC001209511387 1035298188 /nfs/dbraw/zinc/29/81/88/1035298188.db2.gz OYCCHNUQOGJZFR-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP C[NH+]1CCC(Oc2ccnc(N[C@@H](c3cccc(F)c3)C3CC[NH2+]CC3)c2)CC1 ZINC001161827299 1035309991 /nfs/dbraw/zinc/30/99/91/1035309991.db2.gz KXZVJQAOXKDWBR-HSZRJFAPSA-N 2 1 398.526 3.847 20 0 GHADMP C[NH+]1CCC(Oc2ccnc(NC[C@@H]3CCC[N@H+]3Cc3ccccc3)c2)CC1 ZINC001161885971 1035322362 /nfs/dbraw/zinc/32/23/62/1035322362.db2.gz KCBCZDUYZAXGCP-FQEVSTJZSA-N 2 1 380.536 3.631 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209647864 1035342388 /nfs/dbraw/zinc/34/23/88/1035342388.db2.gz NVUMNWZLNSRVHM-KSEOMHKRSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209647864 1035342389 /nfs/dbraw/zinc/34/23/89/1035342389.db2.gz NVUMNWZLNSRVHM-KSEOMHKRSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209647864 1035342391 /nfs/dbraw/zinc/34/23/91/1035342391.db2.gz NVUMNWZLNSRVHM-KSEOMHKRSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209647864 1035342394 /nfs/dbraw/zinc/34/23/94/1035342394.db2.gz NVUMNWZLNSRVHM-KSEOMHKRSA-N 2 1 389.547 3.770 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001248194698 1035623984 /nfs/dbraw/zinc/62/39/84/1035623984.db2.gz MIVRZLQBLRLGFV-ZDUSSCGKSA-N 2 1 387.709 3.884 20 0 GHADMP CN(C)Cc1ccc(CN(C)Cc2ccc(F)c(F)c2)c2c1OC(F)(F)O2 ZINC001462018576 1069948666 /nfs/dbraw/zinc/94/86/66/1069948666.db2.gz KCJSLVFRGRFRCO-UHFFFAOYSA-N 2 1 384.373 3.980 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001248772687 1036127211 /nfs/dbraw/zinc/12/72/11/1036127211.db2.gz HWVUZYNEDQNDGG-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001248772687 1036127221 /nfs/dbraw/zinc/12/72/21/1036127221.db2.gz HWVUZYNEDQNDGG-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001248772687 1036127231 /nfs/dbraw/zinc/12/72/31/1036127231.db2.gz HWVUZYNEDQNDGG-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CCC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771917 1036127907 /nfs/dbraw/zinc/12/79/07/1036127907.db2.gz AFQSFCXBNWDRBI-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CCC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771917 1036127918 /nfs/dbraw/zinc/12/79/18/1036127918.db2.gz AFQSFCXBNWDRBI-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771917 1036127928 /nfs/dbraw/zinc/12/79/28/1036127928.db2.gz AFQSFCXBNWDRBI-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1cnn(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771917 1036127936 /nfs/dbraw/zinc/12/79/36/1036127936.db2.gz AFQSFCXBNWDRBI-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP C[N@@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(C[NH+]4CC(O)C4)cc3)cc12 ZINC001243643285 1036232414 /nfs/dbraw/zinc/23/24/14/1036232414.db2.gz LYBLHWVEXMRNEF-OAQYLSRUSA-N 2 1 375.516 3.648 20 0 GHADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(C[NH+]4CC(O)C4)cc3)cc12 ZINC001243643285 1036232430 /nfs/dbraw/zinc/23/24/30/1036232430.db2.gz LYBLHWVEXMRNEF-OAQYLSRUSA-N 2 1 375.516 3.648 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001246018060 1037139102 /nfs/dbraw/zinc/13/91/02/1037139102.db2.gz ABZPNIDICCWYTI-UZUQRXQVSA-N 2 1 381.520 3.512 20 0 GHADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](C[C@@H](O)c3cc(Cl)cc4c3-c3ccc(Cl)cc3C4)C[C@H]21 ZINC001246018782 1037139287 /nfs/dbraw/zinc/13/92/87/1037139287.db2.gz XVXLUFFZUZYIKM-YSTOQKLRSA-N 2 1 389.326 3.735 20 0 GHADMP [NH3+]C[C@H]1CC[N@H+](C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246046129 1037159746 /nfs/dbraw/zinc/15/97/46/1037159746.db2.gz QNIPYCINNBLSIE-BLVKFPJESA-N 2 1 377.315 3.879 20 0 GHADMP [NH3+]C[C@H]1CC[N@@H+](C[C@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246046129 1037159748 /nfs/dbraw/zinc/15/97/48/1037159748.db2.gz QNIPYCINNBLSIE-BLVKFPJESA-N 2 1 377.315 3.879 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001246055183 1037168913 /nfs/dbraw/zinc/16/89/13/1037168913.db2.gz LXLUOUGJLGXYCD-FFZOFVMBSA-N 2 1 379.331 3.714 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001246055183 1037168925 /nfs/dbraw/zinc/16/89/25/1037168925.db2.gz LXLUOUGJLGXYCD-FFZOFVMBSA-N 2 1 379.331 3.714 20 0 GHADMP F[C@@H]1C[NH2+]C[C@@H]1N[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246128563 1037206562 /nfs/dbraw/zinc/20/65/62/1037206562.db2.gz UCSJFJQKWJTZPH-HNRDJRCMSA-N 2 1 393.550 3.651 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256118 1037257596 /nfs/dbraw/zinc/25/75/96/1037257596.db2.gz MTJFSGVGHLYMBL-WEYGHZABSA-N 2 1 382.504 3.600 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246280617 1037272695 /nfs/dbraw/zinc/27/26/95/1037272695.db2.gz QVCNDMNRMSMEEL-SBHAEUEKSA-N 2 1 376.903 3.774 20 0 GHADMP OC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001246311990 1037289592 /nfs/dbraw/zinc/28/95/92/1037289592.db2.gz BJIQABUICQLUNR-VAMGGRTRSA-N 2 1 378.438 3.692 20 0 GHADMP O=C1C[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246341182 1037303437 /nfs/dbraw/zinc/30/34/37/1037303437.db2.gz NKYHKZTWTZTGOE-NRFANRHFSA-N 2 1 397.950 3.700 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246342224 1037303741 /nfs/dbraw/zinc/30/37/41/1037303741.db2.gz QXUPKQIPPFTVNP-BYCMXARLSA-N 2 1 379.264 3.900 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC[NH2+]1 ZINC001246345381 1037306197 /nfs/dbraw/zinc/30/61/97/1037306197.db2.gz AJPWLMACWVIIJC-LQWHRVPQSA-N 2 1 379.976 3.614 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246348039 1037308886 /nfs/dbraw/zinc/30/88/86/1037308886.db2.gz KSEBAFLJNDBKBF-IRFCIJBXSA-N 2 1 376.903 3.774 20 0 GHADMP CC[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC001246366149 1037325291 /nfs/dbraw/zinc/32/52/91/1037325291.db2.gz MDLYFJTVQCNOJR-OALUTQOASA-N 2 1 394.401 3.781 20 0 GHADMP Fc1cccc(CC2(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246379254 1037337883 /nfs/dbraw/zinc/33/78/83/1037337883.db2.gz MBUKEEMVWAKGME-PKTZIBPZSA-N 3 1 381.539 3.821 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC[NH2+]1 ZINC001246389595 1037350587 /nfs/dbraw/zinc/35/05/87/1037350587.db2.gz OFOWAGJIWVFTHN-OALUTQOASA-N 2 1 381.499 3.792 20 0 GHADMP Fc1cccc(C2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC[NH2+]CC2)c1 ZINC001246392545 1037351263 /nfs/dbraw/zinc/35/12/63/1037351263.db2.gz YWHPAJSHHVKCME-UHFFFAOYSA-N 3 1 381.539 3.701 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CC[NH2+]C(C)(C)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246397612 1037355754 /nfs/dbraw/zinc/35/57/54/1037355754.db2.gz SKEHZBKFMQLSBR-LFRPXUGBSA-N 2 1 399.535 3.575 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccc(Cl)cc3)CC[NH2+]CC1)C2 ZINC001246412502 1037368128 /nfs/dbraw/zinc/36/81/28/1037368128.db2.gz GNQJJJQZHMWDOF-WKCHPHFGSA-N 3 1 375.988 3.857 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3ccc(Cl)cc3)CC[NH2+]CC1)C2 ZINC001246412502 1037368146 /nfs/dbraw/zinc/36/81/46/1037368146.db2.gz GNQJJJQZHMWDOF-WKCHPHFGSA-N 2 1 375.988 3.857 20 0 GHADMP COc1ccccc1CC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246419784 1037377055 /nfs/dbraw/zinc/37/70/55/1037377055.db2.gz IVOGCMHBVHAPLJ-PKTZIBPZSA-N 3 1 393.575 3.690 20 0 GHADMP Fc1ccccc1CC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246435116 1037397361 /nfs/dbraw/zinc/39/73/61/1037397361.db2.gz RXHKMTCJMONFIY-GMAHTHKFSA-N 3 1 381.539 3.821 20 0 GHADMP FC1(F)C[NH2+]CC[C@H]1CC[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246483151 1037428345 /nfs/dbraw/zinc/42/83/45/1037428345.db2.gz RXNUVJLDRZOMJJ-AVAKVYKDSA-N 2 1 386.527 3.703 20 0 GHADMP CC1(C)C[C@H](N[C@H]([C@H]2CCC[NH2+]C2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246480563 1037428702 /nfs/dbraw/zinc/42/87/02/1037428702.db2.gz CSUPLEHZTXNHLW-IPMKNSEASA-N 2 1 383.502 3.950 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1)CC2 ZINC001246491362 1037436628 /nfs/dbraw/zinc/43/66/28/1037436628.db2.gz CYXJRHHORWJKAU-DHIUTWEWSA-N 2 1 380.532 3.683 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C)CC2 ZINC001246504209 1037445352 /nfs/dbraw/zinc/44/53/52/1037445352.db2.gz OKUAPTYDGQOCCI-KDOFPFPSSA-N 2 1 396.959 3.635 20 0 GHADMP C1COC2(CCC(C3CCC([N@H+]4CCCC5(CC[NH2+]CC5)C4)CC3)CC2)O1 ZINC001246521887 1037455212 /nfs/dbraw/zinc/45/52/12/1037455212.db2.gz GMKGLAHXSUKPKK-UHFFFAOYSA-N 2 1 376.585 3.944 20 0 GHADMP N[C@H]1C[N@@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@H]1F ZINC001246526760 1037458494 /nfs/dbraw/zinc/45/84/94/1037458494.db2.gz BRDXGXBURTXXBP-ZQHBMWIYSA-N 2 1 381.539 3.981 20 0 GHADMP N[C@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@H]1F ZINC001246526760 1037458531 /nfs/dbraw/zinc/45/85/31/1037458531.db2.gz BRDXGXBURTXXBP-ZQHBMWIYSA-N 2 1 381.539 3.981 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH2+]1 ZINC001246535820 1037470865 /nfs/dbraw/zinc/47/08/65/1037470865.db2.gz LUHLBAAINLAPET-TZIWHRDSSA-N 2 1 386.490 3.674 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH2+]1 ZINC001246535820 1037470880 /nfs/dbraw/zinc/47/08/80/1037470880.db2.gz LUHLBAAINLAPET-TZIWHRDSSA-N 2 1 386.490 3.674 20 0 GHADMP CC(C)(C)[C@H]1C[C@H](N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246551517 1037475925 /nfs/dbraw/zinc/47/59/25/1037475925.db2.gz RRPANRPXEFUNRT-RTBURBONSA-N 2 1 383.502 3.990 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC2 ZINC001246586870 1037489750 /nfs/dbraw/zinc/48/97/50/1037489750.db2.gz PJINBBLLXJFBSF-DNQXCXABSA-N 2 1 392.543 3.514 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001246589831 1037494053 /nfs/dbraw/zinc/49/40/53/1037494053.db2.gz FZAYNORDGISLLP-FQEVSTJZSA-N 2 1 381.923 3.535 20 0 GHADMP C[C@@H](Cc1cccnc1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617717 1037507122 /nfs/dbraw/zinc/50/71/22/1037507122.db2.gz FWSMRRCHMCQMGI-NZQKXSOJSA-N 2 1 379.548 3.816 20 0 GHADMP Brc1ccc(C2CCC([N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246619446 1037509354 /nfs/dbraw/zinc/50/93/54/1037509354.db2.gz RFDYNGBEQUUVLK-QUDVFMAMSA-N 2 1 392.385 3.501 20 0 GHADMP O=C(OC1CCC([N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)CC1)c1ccccc1 ZINC001246618524 1037510865 /nfs/dbraw/zinc/51/08/65/1037510865.db2.gz HBWYTVBDLYLYLC-VNXZQDSDSA-N 2 1 390.527 3.844 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246629494 1037514551 /nfs/dbraw/zinc/51/45/51/1037514551.db2.gz OEVBYMPLSQYAGU-IRQNMHNUSA-N 2 1 390.955 3.769 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628390 1037516354 /nfs/dbraw/zinc/51/63/54/1037516354.db2.gz XMYIQDNQUKEHTN-KIHHCIJBSA-N 2 1 397.607 3.805 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628390 1037516367 /nfs/dbraw/zinc/51/63/67/1037516367.db2.gz XMYIQDNQUKEHTN-KIHHCIJBSA-N 2 1 397.607 3.805 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628390 1037516379 /nfs/dbraw/zinc/51/63/79/1037516379.db2.gz XMYIQDNQUKEHTN-KIHHCIJBSA-N 3 1 397.607 3.805 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628390 1037516390 /nfs/dbraw/zinc/51/63/90/1037516390.db2.gz XMYIQDNQUKEHTN-KIHHCIJBSA-N 2 1 397.607 3.805 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628390 1037516407 /nfs/dbraw/zinc/51/64/07/1037516407.db2.gz XMYIQDNQUKEHTN-KIHHCIJBSA-N 2 1 397.607 3.805 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2CN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001246673912 1037541152 /nfs/dbraw/zinc/54/11/52/1037541152.db2.gz QMRLBMJXJBUXAG-JZGJKWFZSA-N 2 1 379.592 3.645 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CC3)cc1 ZINC001246673912 1037541162 /nfs/dbraw/zinc/54/11/62/1037541162.db2.gz QMRLBMJXJBUXAG-JZGJKWFZSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001246673912 1037541173 /nfs/dbraw/zinc/54/11/73/1037541173.db2.gz QMRLBMJXJBUXAG-JZGJKWFZSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001246673912 1037541191 /nfs/dbraw/zinc/54/11/91/1037541191.db2.gz QMRLBMJXJBUXAG-JZGJKWFZSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001246673912 1037541208 /nfs/dbraw/zinc/54/12/08/1037541208.db2.gz QMRLBMJXJBUXAG-JZGJKWFZSA-N 3 1 379.592 3.645 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@H+](C1C[C@H](C)[NH2+][C@@H](C)C1)CC2 ZINC001246700955 1037556265 /nfs/dbraw/zinc/55/62/65/1037556265.db2.gz MHNIXIJHIAAHDH-GJZGRUSLSA-N 2 1 399.560 3.526 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246707529 1037561538 /nfs/dbraw/zinc/56/15/38/1037561538.db2.gz BHLYSBJAWULHOE-DXGJXXFVSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246709941 1037562132 /nfs/dbraw/zinc/56/21/32/1037562132.db2.gz QFQHXTYKHUWUND-KHYDEXNFSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246709941 1037562143 /nfs/dbraw/zinc/56/21/43/1037562143.db2.gz QFQHXTYKHUWUND-KHYDEXNFSA-N 2 1 387.568 3.641 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)o1 ZINC001246711569 1037564533 /nfs/dbraw/zinc/56/45/33/1037564533.db2.gz YORYRCMASXLBHN-CJTFWIGWSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)o1 ZINC001246711569 1037564553 /nfs/dbraw/zinc/56/45/53/1037564553.db2.gz YORYRCMASXLBHN-CJTFWIGWSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)o1 ZINC001246711569 1037564563 /nfs/dbraw/zinc/56/45/63/1037564563.db2.gz YORYRCMASXLBHN-CJTFWIGWSA-N 2 1 379.548 3.600 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246718080 1037569995 /nfs/dbraw/zinc/56/99/95/1037569995.db2.gz HRCWWLJCSWPAOR-WRALFONMSA-N 2 1 397.607 3.710 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)O1 ZINC001246744777 1037585307 /nfs/dbraw/zinc/58/53/07/1037585307.db2.gz LHKVUSXCLFQTBK-KEJFTWOCSA-N 2 1 386.580 3.644 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN([C@H]4CC[NH2+][C@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747577 1037588776 /nfs/dbraw/zinc/58/87/76/1037588776.db2.gz PFYOABROXJFGIT-GOTSBHOMSA-N 2 1 399.623 3.829 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)CC2 ZINC001246770598 1037612320 /nfs/dbraw/zinc/61/23/20/1037612320.db2.gz LBYFSFPSZLZPGD-QFIPXVFZSA-N 2 1 378.564 3.987 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)C[C@@H](CC)[NH2+]1 ZINC001246782422 1037620677 /nfs/dbraw/zinc/62/06/77/1037620677.db2.gz ZXCYOLKFZLHCIB-KHCICDEESA-N 2 1 383.580 3.942 20 0 GHADMP CC[C@H]1CC([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246783148 1037624021 /nfs/dbraw/zinc/62/40/21/1037624021.db2.gz NRYAJDHFNNMOCC-OALUTQOASA-N 2 1 394.401 3.876 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246785196 1037625633 /nfs/dbraw/zinc/62/56/33/1037625633.db2.gz JTWOEWIUDCXWBG-IFMALSPDSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246785196 1037625652 /nfs/dbraw/zinc/62/56/52/1037625652.db2.gz JTWOEWIUDCXWBG-IFMALSPDSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246785196 1037625711 /nfs/dbraw/zinc/62/57/11/1037625711.db2.gz JTWOEWIUDCXWBG-IFMALSPDSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)c1ccc(OC2CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)cc1 ZINC001246789533 1037627858 /nfs/dbraw/zinc/62/78/58/1037627858.db2.gz VGTYKUNSCLXCAG-OFNKIYASSA-N 2 1 394.515 3.810 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246802838 1037636188 /nfs/dbraw/zinc/63/61/88/1037636188.db2.gz XIPBCFPZFLEVBV-NOZRDPDXSA-N 2 1 377.576 3.946 20 0 GHADMP COCCC[N@@H+]([C@@H](C)CCc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001246837088 1037665316 /nfs/dbraw/zinc/66/53/16/1037665316.db2.gz QHDMRLZTVOSRMS-INIZCTEOSA-N 2 1 383.374 3.861 20 0 GHADMP CCC[N@@H+](Cc1cccc(Br)c1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246847569 1037671036 /nfs/dbraw/zinc/67/10/36/1037671036.db2.gz UOHCFNYQJULGLW-UHFFFAOYSA-N 2 1 381.358 3.962 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849530 1037673987 /nfs/dbraw/zinc/67/39/87/1037673987.db2.gz FVFNOOGGNAXSPM-ISJGIBHGSA-N 3 1 377.576 3.804 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@@H](C)CC(c2ccccc2)c2ccccc2)CC1 ZINC001246867166 1037684662 /nfs/dbraw/zinc/68/46/62/1037684662.db2.gz GRBXPCLXEOEMMZ-FDDCHVKYSA-N 2 1 380.532 3.809 20 0 GHADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)ccc2c1 ZINC001246868161 1037685956 /nfs/dbraw/zinc/68/59/56/1037685956.db2.gz ALDXXHNZTJDCPB-MBSDFSHPSA-N 2 1 381.564 3.524 20 0 GHADMP Clc1ccccc1N1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1 ZINC001246881604 1037696818 /nfs/dbraw/zinc/69/68/18/1037696818.db2.gz VBKOTPQBQBCQTQ-XXBNENTESA-N 2 1 381.951 3.782 20 0 GHADMP CC(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC[NH2+]1 ZINC001246906186 1037715363 /nfs/dbraw/zinc/71/53/63/1037715363.db2.gz DBJXWBNEHBLIDX-NHCUHLMSSA-N 2 1 387.568 3.541 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246914787 1037721650 /nfs/dbraw/zinc/72/16/50/1037721650.db2.gz CNBUHEUFURIDPH-XSDIEEQYSA-N 2 1 376.516 3.890 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246915124 1037724331 /nfs/dbraw/zinc/72/43/31/1037724331.db2.gz VFCXXVPTSMOZSY-HUUCEWRRSA-N 2 1 398.020 3.673 20 0 GHADMP CC1(C)[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246924766 1037730908 /nfs/dbraw/zinc/73/09/08/1037730908.db2.gz JQXDJLBSNFQCDG-FHAGJXEFSA-N 2 1 390.527 3.691 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)C1 ZINC001246938527 1037742732 /nfs/dbraw/zinc/74/27/32/1037742732.db2.gz QBYXJZRTIJFKDR-PZJWPPBQSA-N 2 1 376.516 3.749 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)C1 ZINC001246944544 1037751268 /nfs/dbraw/zinc/75/12/68/1037751268.db2.gz VDGPUYOYOPEDRM-TZIWHRDSSA-N 2 1 376.516 3.749 20 0 GHADMP CCOC(=O)N1CCC([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CC1 ZINC001246949891 1037752279 /nfs/dbraw/zinc/75/22/79/1037752279.db2.gz CPTKCGIFNHMFAD-UHFFFAOYSA-N 2 1 379.932 3.515 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CC1 ZINC001246949891 1037752301 /nfs/dbraw/zinc/75/23/01/1037752301.db2.gz CPTKCGIFNHMFAD-UHFFFAOYSA-N 2 1 379.932 3.515 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246951580 1037756360 /nfs/dbraw/zinc/75/63/60/1037756360.db2.gz LZFVJMACMWPOOK-QUCCMNQESA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246964731 1037788321 /nfs/dbraw/zinc/78/83/21/1037788321.db2.gz MSZLSDKWGFLPBJ-IHPCNDPISA-N 2 1 376.541 3.889 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246967514 1037789761 /nfs/dbraw/zinc/78/97/61/1037789761.db2.gz FGEWDSWPOZNWRJ-SBHAEUEKSA-N 2 1 399.510 3.874 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246967514 1037789783 /nfs/dbraw/zinc/78/97/83/1037789783.db2.gz FGEWDSWPOZNWRJ-SBHAEUEKSA-N 2 1 399.510 3.874 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246989068 1037815572 /nfs/dbraw/zinc/81/55/72/1037815572.db2.gz LGRLLFCZDOSRPD-BHIYHBOVSA-N 2 1 379.342 3.825 20 0 GHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246998736 1037823048 /nfs/dbraw/zinc/82/30/48/1037823048.db2.gz ZSSHXVKGSKLCLM-ZLNRFVROSA-N 2 1 378.516 3.973 20 0 GHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001247000044 1037825241 /nfs/dbraw/zinc/82/52/41/1037825241.db2.gz DBUWMDNFYIYVCU-YGOYIFOWSA-N 2 1 381.539 3.868 20 0 GHADMP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001462219523 1070093606 /nfs/dbraw/zinc/09/36/06/1070093606.db2.gz KKTYTNGTEZQYKK-GZGNHOFSSA-N 2 1 399.623 3.720 20 0 GHADMP C[C@@H]1C[C@@H](N2CCOCC2)C[NH+]1C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001462219523 1070093621 /nfs/dbraw/zinc/09/36/21/1070093621.db2.gz KKTYTNGTEZQYKK-GZGNHOFSSA-N 2 1 399.623 3.720 20 0 GHADMP C[C@@H]1C[C@@H](N2CCOCC2)C[NH+]1C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001462219523 1070093634 /nfs/dbraw/zinc/09/36/34/1070093634.db2.gz KKTYTNGTEZQYKK-GZGNHOFSSA-N 2 1 399.623 3.720 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462237729 1070109951 /nfs/dbraw/zinc/10/99/51/1070109951.db2.gz ZHMVCOCZXDRMMW-PMXSJFBMSA-N 2 1 387.568 3.932 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001232380632 1038154871 /nfs/dbraw/zinc/15/48/71/1038154871.db2.gz YSRWCYKJECJMSD-UHFFFAOYSA-N 2 1 393.575 3.786 20 0 GHADMP Fc1ccc2nc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001232414754 1038197761 /nfs/dbraw/zinc/19/77/61/1038197761.db2.gz ISGGKAVRNZRKQG-VQTJNVASSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1ccc2nc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001232414754 1038197768 /nfs/dbraw/zinc/19/77/68/1038197768.db2.gz ISGGKAVRNZRKQG-VQTJNVASSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1ccc2nc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001232414754 1038197776 /nfs/dbraw/zinc/19/77/76/1038197776.db2.gz ISGGKAVRNZRKQG-VQTJNVASSA-N 2 1 378.495 3.817 20 0 GHADMP Cc1cccc(F)c1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001232483884 1038262463 /nfs/dbraw/zinc/26/24/63/1038262463.db2.gz UKDDGLWZUIJNIQ-UEVCKROQSA-N 2 1 390.543 3.614 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cc(Br)cc(C(F)(F)F)c2)no1 ZINC001247698301 1038337422 /nfs/dbraw/zinc/33/74/22/1038337422.db2.gz MJCIJECHTBUNQV-LLVKDONJSA-N 2 1 393.207 3.647 20 0 GHADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)n2)C1 ZINC001232604522 1038384043 /nfs/dbraw/zinc/38/40/43/1038384043.db2.gz GBUIHAGBAXMLKX-KRWDZBQOSA-N 2 1 384.480 3.785 20 0 GHADMP Cc1cnccc1O[C@H]1CCN(Cc2cccc(NC(=O)OC(C)(C)C)n2)C1 ZINC001232604522 1038384053 /nfs/dbraw/zinc/38/40/53/1038384053.db2.gz GBUIHAGBAXMLKX-KRWDZBQOSA-N 2 1 384.480 3.785 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(Cc1ccc3ccsc3c1)CCC2 ZINC001232613290 1038398991 /nfs/dbraw/zinc/39/89/91/1038398991.db2.gz MLNMYLBCKPJPBZ-UHFFFAOYSA-N 2 1 396.560 3.704 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cncc5cnccc54)CC3)C2)c1 ZINC001232648422 1038434900 /nfs/dbraw/zinc/43/49/00/1038434900.db2.gz QMVSEHZZHKLAKQ-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP CCOc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1Cl ZINC001247904715 1038476489 /nfs/dbraw/zinc/47/64/89/1038476489.db2.gz HSLKGIPLPKPZFB-HNNXBMFYSA-N 2 1 390.915 3.720 20 0 GHADMP Fc1cc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)ccc1C(F)(F)F ZINC001247905507 1038477067 /nfs/dbraw/zinc/47/70/67/1038477067.db2.gz HPOKLUCMZOTBRG-CYBMUJFWSA-N 2 1 398.404 3.826 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(Cl)cc2Br)CC1 ZINC001232682035 1038478106 /nfs/dbraw/zinc/47/81/06/1038478106.db2.gz FCJQYZDRRSQQOF-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP FC(F)(F)Oc1cccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247908016 1038481965 /nfs/dbraw/zinc/48/19/65/1038481965.db2.gz NGDUVNCWNORFTE-UHFFFAOYSA-N 2 1 396.413 3.567 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1-n1cccc1)C2 ZINC001232910584 1038707375 /nfs/dbraw/zinc/70/73/75/1038707375.db2.gz CCLHAOYAQTXANF-UPVQGACJSA-N 2 1 379.548 3.658 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1-n1cccc1)C2 ZINC001232910584 1038707385 /nfs/dbraw/zinc/70/73/85/1038707385.db2.gz CCLHAOYAQTXANF-UPVQGACJSA-N 2 1 379.548 3.658 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001232910584 1038707395 /nfs/dbraw/zinc/70/73/95/1038707395.db2.gz CCLHAOYAQTXANF-UPVQGACJSA-N 2 1 379.548 3.658 20 0 GHADMP O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252289614 1038926758 /nfs/dbraw/zinc/92/67/58/1038926758.db2.gz ZNCIEXRGNJMZGP-RPBOFIJWSA-N 2 1 394.559 3.552 20 0 GHADMP O[C@@H](COCc1ccccc1)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252289614 1038926763 /nfs/dbraw/zinc/92/67/63/1038926763.db2.gz ZNCIEXRGNJMZGP-RPBOFIJWSA-N 2 1 394.559 3.552 20 0 GHADMP O[C@@H](COCc1ccccc1)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252289614 1038926772 /nfs/dbraw/zinc/92/67/72/1038926772.db2.gz ZNCIEXRGNJMZGP-RPBOFIJWSA-N 2 1 394.559 3.552 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cnc(C)c(C)c1)CC2 ZINC001233158661 1038932477 /nfs/dbraw/zinc/93/24/77/1038932477.db2.gz LUJOJIFZBCGIMM-HSZRJFAPSA-N 2 1 394.563 3.597 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001252384605 1038968801 /nfs/dbraw/zinc/96/88/01/1038968801.db2.gz RNEYDAHOKOPTHA-FGZHOGPDSA-N 2 1 382.548 3.920 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)c(O)c1)CC2 ZINC001233230949 1038992218 /nfs/dbraw/zinc/99/22/18/1038992218.db2.gz FWTKBDOAPJPTNA-JOCHJYFZSA-N 2 1 395.547 3.599 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)c(O)c1)CC2 ZINC001233230950 1038992338 /nfs/dbraw/zinc/99/23/38/1038992338.db2.gz FWTKBDOAPJPTNA-QFIPXVFZSA-N 2 1 395.547 3.599 20 0 GHADMP C[N@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001233294354 1039082418 /nfs/dbraw/zinc/08/24/18/1039082418.db2.gz HEEZQPRYKOUWJP-UHFFFAOYSA-N 2 1 391.515 3.990 20 0 GHADMP C[N@@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233294428 1039082515 /nfs/dbraw/zinc/08/25/15/1039082515.db2.gz JZRXQDYYAGWLPI-SFHVURJKSA-N 2 1 377.488 3.600 20 0 GHADMP C[N@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233294428 1039082535 /nfs/dbraw/zinc/08/25/35/1039082535.db2.gz JZRXQDYYAGWLPI-SFHVURJKSA-N 2 1 377.488 3.600 20 0 GHADMP C[NH+](Cc1ccc(O)c2[nH]c(=O)ccc12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233294428 1039082558 /nfs/dbraw/zinc/08/25/58/1039082558.db2.gz JZRXQDYYAGWLPI-SFHVURJKSA-N 2 1 377.488 3.600 20 0 GHADMP C[NH+](Cc1ccc(O)c2[nH]c(=O)ccc12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233294428 1039082579 /nfs/dbraw/zinc/08/25/79/1039082579.db2.gz JZRXQDYYAGWLPI-SFHVURJKSA-N 2 1 377.488 3.600 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001233300008 1039092922 /nfs/dbraw/zinc/09/29/22/1039092922.db2.gz XSJCPKPRRAFUFH-DLFHSDBESA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001233300008 1039092943 /nfs/dbraw/zinc/09/29/43/1039092943.db2.gz XSJCPKPRRAFUFH-DLFHSDBESA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001233300008 1039092965 /nfs/dbraw/zinc/09/29/65/1039092965.db2.gz XSJCPKPRRAFUFH-DLFHSDBESA-N 2 1 390.527 3.827 20 0 GHADMP COc1cccc(CC2(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CCC2)c1 ZINC001252951930 1039296328 /nfs/dbraw/zinc/29/63/28/1039296328.db2.gz XNKHKRFKMLHHMD-VWLOTQADSA-N 2 1 394.559 3.635 20 0 GHADMP COc1cccc(CC2(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCC2)c1 ZINC001252951930 1039296340 /nfs/dbraw/zinc/29/63/40/1039296340.db2.gz XNKHKRFKMLHHMD-VWLOTQADSA-N 2 1 394.559 3.635 20 0 GHADMP CN1CCC([N@@H+](Cc2cnc3c(Br)cccn23)C2CCCC2)CC1 ZINC001233473524 1039365599 /nfs/dbraw/zinc/36/55/99/1039365599.db2.gz NGKLBMSVYQZHSH-UHFFFAOYSA-N 2 1 391.357 3.936 20 0 GHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001462366297 1070204589 /nfs/dbraw/zinc/20/45/89/1070204589.db2.gz HKLSQROYWYAIRL-NJYVYQBISA-N 2 1 389.584 3.718 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001233739663 1039580147 /nfs/dbraw/zinc/58/01/47/1039580147.db2.gz JTQNGTSGLOMFDQ-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001233739663 1039580164 /nfs/dbraw/zinc/58/01/64/1039580164.db2.gz JTQNGTSGLOMFDQ-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001233739663 1039580171 /nfs/dbraw/zinc/58/01/71/1039580171.db2.gz JTQNGTSGLOMFDQ-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001253480680 1039661691 /nfs/dbraw/zinc/66/16/91/1039661691.db2.gz NTOYHQUPMXKYHI-TZRRMPRUSA-N 2 1 396.575 3.810 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC001254369864 1040197553 /nfs/dbraw/zinc/19/75/53/1040197553.db2.gz WDJJKAQKJZNEOS-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC001254369864 1040197563 /nfs/dbraw/zinc/19/75/63/1040197563.db2.gz WDJJKAQKJZNEOS-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC001254369864 1040197571 /nfs/dbraw/zinc/19/75/71/1040197571.db2.gz WDJJKAQKJZNEOS-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](C[NH+](C)C)Oc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC001234709633 1040242245 /nfs/dbraw/zinc/24/22/45/1040242245.db2.gz NHTYIKZMSLWPNX-AYALFZQESA-N 2 1 396.575 3.663 20 0 GHADMP CC(C)CN1c2ccccc2C2(CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)CC1=O ZINC001254520936 1040296181 /nfs/dbraw/zinc/29/61/81/1040296181.db2.gz GQELQAUYEFAIIG-HXUWFJFHSA-N 2 1 383.580 3.897 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755281 1040516806 /nfs/dbraw/zinc/51/68/06/1040516806.db2.gz QSDPLWZDGIRVGV-GCJKJVERSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755281 1040516820 /nfs/dbraw/zinc/51/68/20/1040516820.db2.gz QSDPLWZDGIRVGV-GCJKJVERSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755281 1040516838 /nfs/dbraw/zinc/51/68/38/1040516838.db2.gz QSDPLWZDGIRVGV-GCJKJVERSA-N 2 1 377.573 3.584 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763589 1040523773 /nfs/dbraw/zinc/52/37/73/1040523773.db2.gz ALBUJDAQDBIMPF-ICSRJNTNSA-N 2 1 387.568 3.873 20 0 GHADMP FC(F)(F)c1cccnc1-c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235036310 1040528301 /nfs/dbraw/zinc/52/83/01/1040528301.db2.gz LMSCLBHCDHEUEZ-IEBWSBKVSA-N 2 1 391.437 3.578 20 0 GHADMP Clc1cc(OCc2ccccc2)ccc1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235040777 1040532934 /nfs/dbraw/zinc/53/29/34/1040532934.db2.gz NZGIDBJAEZYLPA-DENIHFKCSA-N 2 1 386.923 3.729 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235055230 1040546140 /nfs/dbraw/zinc/54/61/40/1040546140.db2.gz SUIIGZNGSUQROI-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2)cc1 ZINC001235055230 1040546156 /nfs/dbraw/zinc/54/61/56/1040546156.db2.gz SUIIGZNGSUQROI-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc2)o1 ZINC001235058213 1040547386 /nfs/dbraw/zinc/54/73/86/1040547386.db2.gz WTASBEKDUIWDAB-OALUTQOASA-N 2 1 380.517 3.670 20 0 GHADMP CCOc1ccc(Br)c(C[NH+]2CCC3(CC[NH2+]CC3)CC2)c1F ZINC001235134241 1040629009 /nfs/dbraw/zinc/62/90/09/1040629009.db2.gz XDTYKYITZKJQCW-UHFFFAOYSA-N 2 1 385.321 3.953 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001254885993 1040637778 /nfs/dbraw/zinc/63/77/78/1040637778.db2.gz HZVWEWFPODFHBI-KJJMTIBFSA-N 2 1 399.579 3.744 20 0 GHADMP Brc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1OCO2 ZINC001235158131 1040650845 /nfs/dbraw/zinc/65/08/45/1040650845.db2.gz UWEPKHGOHKGTIL-MRXNPFEDSA-N 2 1 381.314 3.532 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254917063 1040666509 /nfs/dbraw/zinc/66/65/09/1040666509.db2.gz QYDCOWMHHGYHGZ-OPVJXMOQSA-N 2 1 379.589 3.828 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc(F)c1Cl)C2 ZINC001235320853 1040791548 /nfs/dbraw/zinc/79/15/48/1040791548.db2.gz MPJXEOFENOHNFR-LAUBAEHRSA-N 2 1 394.918 3.624 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(C(F)F)cc1)C2 ZINC001235319409 1040791608 /nfs/dbraw/zinc/79/16/08/1040791608.db2.gz BEPBPQLQUZSMSR-PGRDOPGGSA-N 2 1 392.490 3.769 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1csc(Cl)c1)C2 ZINC001235322448 1040793678 /nfs/dbraw/zinc/79/36/78/1040793678.db2.gz XGDPAZYVQCVTHB-HNAYVOBHSA-N 2 1 382.957 3.546 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCc2ccnc(OC4CCC4)n2)C3)cc1 ZINC001255134288 1040834168 /nfs/dbraw/zinc/83/41/68/1040834168.db2.gz ZSXVTULFXOVWJS-WKCHPHFGSA-N 2 1 378.520 3.693 20 0 GHADMP CC(C)(C)[C@@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136092 1040835382 /nfs/dbraw/zinc/83/53/82/1040835382.db2.gz MXUNAHKNIALZEY-BXXSPATCSA-N 2 1 385.596 3.519 20 0 GHADMP O=C1CCCCN1C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255145408 1040857057 /nfs/dbraw/zinc/85/70/57/1040857057.db2.gz BGANVWRGWIHVQZ-NUNAXRQHSA-N 2 1 381.564 3.659 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255147159 1040861234 /nfs/dbraw/zinc/86/12/34/1040861234.db2.gz NBVGYSQFYXFBPR-LNWKWYTESA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255147159 1040861241 /nfs/dbraw/zinc/86/12/41/1040861241.db2.gz NBVGYSQFYXFBPR-LNWKWYTESA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255147159 1040861253 /nfs/dbraw/zinc/86/12/53/1040861253.db2.gz NBVGYSQFYXFBPR-LNWKWYTESA-N 2 1 397.607 3.757 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001255149537 1040867032 /nfs/dbraw/zinc/86/70/32/1040867032.db2.gz IMCPDKWSPYSNSA-QMCAAQAGSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001255149537 1040867035 /nfs/dbraw/zinc/86/70/35/1040867035.db2.gz IMCPDKWSPYSNSA-QMCAAQAGSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001255149537 1040867042 /nfs/dbraw/zinc/86/70/42/1040867042.db2.gz IMCPDKWSPYSNSA-QMCAAQAGSA-N 2 1 397.563 3.733 20 0 GHADMP COc1ccc(O[C@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255150818 1040872894 /nfs/dbraw/zinc/87/28/94/1040872894.db2.gz OWXRBANXMFNPCN-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)nc1 ZINC001255150818 1040872917 /nfs/dbraw/zinc/87/29/17/1040872917.db2.gz OWXRBANXMFNPCN-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001255150818 1040872932 /nfs/dbraw/zinc/87/29/32/1040872932.db2.gz OWXRBANXMFNPCN-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP CCC(=O)N(CC)C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255151373 1040874844 /nfs/dbraw/zinc/87/48/44/1040874844.db2.gz XQOYQIASUMELMF-NUNAXRQHSA-N 2 1 383.580 3.905 20 0 GHADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c2)cc1 ZINC001235397989 1040912108 /nfs/dbraw/zinc/91/21/08/1040912108.db2.gz SCMFCJKQVYIJEV-LEWJYISDSA-N 2 1 382.479 3.649 20 0 GHADMP Ic1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235424332 1040926974 /nfs/dbraw/zinc/92/69/74/1040926974.db2.gz GYKMIXUYAILDFP-CHWSQXEVSA-N 2 1 390.334 3.564 20 0 GHADMP Brc1ccnc2[nH]cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC001235426835 1040928054 /nfs/dbraw/zinc/92/80/54/1040928054.db2.gz LTXKNSVZXPDJPG-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC001235432572 1040933473 /nfs/dbraw/zinc/93/34/73/1040933473.db2.gz LHBBKRJUCFGUGY-UHFFFAOYSA-N 2 1 384.520 3.714 20 0 GHADMP CC(C)Oc1c(Br)cc(C[N@H+](C)CCC[NH3+])cc1Br ZINC001235435510 1040935761 /nfs/dbraw/zinc/93/57/61/1040935761.db2.gz MUOOKNBLIAPZNN-UHFFFAOYSA-N 2 1 394.151 3.779 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255384622 1040974489 /nfs/dbraw/zinc/97/44/89/1040974489.db2.gz ZTTOCNYHZIDZDX-XMMPIXPASA-N 3 1 392.591 3.583 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255384621 1040974673 /nfs/dbraw/zinc/97/46/73/1040974673.db2.gz ZTTOCNYHZIDZDX-DEOSSOPVSA-N 3 1 392.591 3.583 20 0 GHADMP c1cc(CO[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CCC[NH2+]C2CCCCC2)C3)ccn1 ZINC001235527662 1040976493 /nfs/dbraw/zinc/97/64/93/1040976493.db2.gz ZIQZWWOLJYFYJJ-XZOQPEGZSA-N 2 1 387.568 3.534 20 0 GHADMP c1cc(CO[C@@H]2CO[C@@]3(C2)CCC[N@H+](CCC[NH2+]C2CCCCC2)C3)ccn1 ZINC001235527662 1040976506 /nfs/dbraw/zinc/97/65/06/1040976506.db2.gz ZIQZWWOLJYFYJJ-XZOQPEGZSA-N 2 1 387.568 3.534 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255392213 1040980615 /nfs/dbraw/zinc/98/06/15/1040980615.db2.gz ZFMMOGAQBRFJMJ-YPAWHYETSA-N 2 1 379.552 3.608 20 0 GHADMP Fc1cccnc1C1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC001255394328 1040982347 /nfs/dbraw/zinc/98/23/47/1040982347.db2.gz ZXJOOIAITOBKKI-OAQYLSRUSA-N 2 1 397.538 3.913 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255402583 1040988670 /nfs/dbraw/zinc/98/86/70/1040988670.db2.gz JUBCQUJUTQFFGR-LADGPHEKSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402583 1040988674 /nfs/dbraw/zinc/98/86/74/1040988674.db2.gz JUBCQUJUTQFFGR-LADGPHEKSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402583 1040988678 /nfs/dbraw/zinc/98/86/78/1040988678.db2.gz JUBCQUJUTQFFGR-LADGPHEKSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403457 1040990567 /nfs/dbraw/zinc/99/05/67/1040990567.db2.gz SDLYFPGWCAVNJU-JOCHJYFZSA-N 2 1 378.564 3.984 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1-c1ccncc1)C2 ZINC001235620130 1041043018 /nfs/dbraw/zinc/04/30/18/1041043018.db2.gz OOTYHDWNORBQQX-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(C[C@@H]2Cc4ccccc4C[NH2+]2)C3)c1 ZINC001235629158 1041061447 /nfs/dbraw/zinc/06/14/47/1041061447.db2.gz OOOJPCAQEOXXON-ZEQRLZLVSA-N 2 1 379.523 3.581 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001235633399 1041065199 /nfs/dbraw/zinc/06/51/99/1041065199.db2.gz WRTOKZPSAGSBCA-NKXUHPISSA-N 2 1 376.491 3.674 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@H]2c3ccccc3[C@@H](OCC3CC3)[C@H]2C1 ZINC001235633399 1041065225 /nfs/dbraw/zinc/06/52/25/1041065225.db2.gz WRTOKZPSAGSBCA-NKXUHPISSA-N 2 1 376.491 3.674 20 0 GHADMP COc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c(C)c1C ZINC001235644620 1041084861 /nfs/dbraw/zinc/08/48/61/1041084861.db2.gz AFOBAUWXFHAKIR-UHFFFAOYSA-N 2 1 382.552 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001235670527 1041125286 /nfs/dbraw/zinc/12/52/86/1041125286.db2.gz UINXZFGZCAJIGZ-IUODEOHRSA-N 2 1 376.850 3.813 20 0 GHADMP Brc1cccc2c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)[nH]nc21 ZINC001235702034 1041181689 /nfs/dbraw/zinc/18/16/89/1041181689.db2.gz HCZYDCGLMGOALQ-UHFFFAOYSA-N 2 1 377.330 3.537 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255693254 1041220102 /nfs/dbraw/zinc/22/01/02/1041220102.db2.gz IEHPJEAQEQZNRS-CVEARBPZSA-N 2 1 395.510 3.934 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001255728444 1041251077 /nfs/dbraw/zinc/25/10/77/1041251077.db2.gz TZWUNMAJMBDMJD-HNNXBMFYSA-N 2 1 397.560 3.624 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001255728445 1041251440 /nfs/dbraw/zinc/25/14/40/1041251440.db2.gz TZWUNMAJMBDMJD-OAHLLOKOSA-N 2 1 397.560 3.624 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccc(C)cc3)CC2)c1 ZINC001255796502 1041306519 /nfs/dbraw/zinc/30/65/19/1041306519.db2.gz XRJJKZMIEASLME-LJQANCHMSA-N 2 1 380.532 3.967 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](C2CCCCCC2)CC1 ZINC001255890297 1041377083 /nfs/dbraw/zinc/37/70/83/1041377083.db2.gz YFTOEMZZVSEJEU-UHFFFAOYSA-N 2 1 383.580 3.960 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001255917400 1041401015 /nfs/dbraw/zinc/40/10/15/1041401015.db2.gz JCUJYLDRCSZWQU-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001255917400 1041401016 /nfs/dbraw/zinc/40/10/16/1041401016.db2.gz JCUJYLDRCSZWQU-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP c1nc2n(c1C[N@H+]1CCC[C@@H]1C(c1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC001235867720 1041401204 /nfs/dbraw/zinc/40/12/04/1041401204.db2.gz RMXFEAFGMFHSPU-HSZRJFAPSA-N 2 1 386.543 3.825 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001255917400 1041401021 /nfs/dbraw/zinc/40/10/21/1041401021.db2.gz JCUJYLDRCSZWQU-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001255917400 1041401029 /nfs/dbraw/zinc/40/10/29/1041401029.db2.gz JCUJYLDRCSZWQU-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP COc1cccc(OC)c1CN1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001255921653 1041410019 /nfs/dbraw/zinc/41/00/19/1041410019.db2.gz JIEXYCJAMQFWIG-UHFFFAOYSA-N 2 1 389.584 3.652 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951738 1041432653 /nfs/dbraw/zinc/43/26/53/1041432653.db2.gz JZBANZHMNNVSPW-NYVOZVTQSA-N 3 1 389.584 3.666 20 0 GHADMP Clc1ccc(Cn2cc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)c3ccccc32)cn1 ZINC001235935776 1041439795 /nfs/dbraw/zinc/43/97/95/1041439795.db2.gz FCYUWFMUEKRVAD-QZTJIDSGSA-N 2 1 380.923 3.779 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001255961948 1041441147 /nfs/dbraw/zinc/44/11/47/1041441147.db2.gz RAVGOHPHQBROBI-PMVMPFDFSA-N 2 1 389.584 3.590 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001255961781 1041442079 /nfs/dbraw/zinc/44/20/79/1041442079.db2.gz DCLKDORKVNULAD-DVECYGJZSA-N 2 1 394.563 3.738 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001255961781 1041442090 /nfs/dbraw/zinc/44/20/90/1041442090.db2.gz DCLKDORKVNULAD-DVECYGJZSA-N 2 1 394.563 3.738 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001255963634 1041445051 /nfs/dbraw/zinc/44/50/51/1041445051.db2.gz SBBDSPBHNAMOAZ-FPOVZHCZSA-N 2 1 394.554 3.735 20 0 GHADMP COCCC[N@@H+](Cc1cc2c(cccc2Br)[nH]1)C1CC[NH2+]CC1 ZINC001235940593 1041447705 /nfs/dbraw/zinc/44/77/05/1041447705.db2.gz VKBNZFDUWFIZIN-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP Clc1cccc([C@@H]2CC[N@@H+](Cc3cnc4cc(C5CC[NH2+]CC5)nn4c3)C2)c1 ZINC001235950274 1041452961 /nfs/dbraw/zinc/45/29/61/1041452961.db2.gz YMBLVSWDCYPJDV-LJQANCHMSA-N 2 1 395.938 3.839 20 0 GHADMP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001235949599 1041453395 /nfs/dbraw/zinc/45/33/95/1041453395.db2.gz DAIMTQWFFKDZKA-NRFANRHFSA-N 3 1 388.559 3.698 20 0 GHADMP C[NH+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235949599 1041453404 /nfs/dbraw/zinc/45/34/04/1041453404.db2.gz DAIMTQWFFKDZKA-NRFANRHFSA-N 3 1 388.559 3.698 20 0 GHADMP C[NH+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235949599 1041453418 /nfs/dbraw/zinc/45/34/18/1041453418.db2.gz DAIMTQWFFKDZKA-NRFANRHFSA-N 3 1 388.559 3.698 20 0 GHADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235949599 1041453425 /nfs/dbraw/zinc/45/34/25/1041453425.db2.gz DAIMTQWFFKDZKA-NRFANRHFSA-N 2 1 388.559 3.698 20 0 GHADMP C[N@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235949599 1041453435 /nfs/dbraw/zinc/45/34/35/1041453435.db2.gz DAIMTQWFFKDZKA-NRFANRHFSA-N 2 1 388.559 3.698 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235949599 1041453441 /nfs/dbraw/zinc/45/34/41/1041453441.db2.gz DAIMTQWFFKDZKA-NRFANRHFSA-N 2 1 388.559 3.698 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235949599 1041453454 /nfs/dbraw/zinc/45/34/54/1041453454.db2.gz DAIMTQWFFKDZKA-NRFANRHFSA-N 2 1 388.559 3.698 20 0 GHADMP COc1cc(Cl)c(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001235971903 1041474839 /nfs/dbraw/zinc/47/48/39/1041474839.db2.gz CLIMBBIXFMWUBI-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP COc1cc(Cl)c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001235971903 1041474853 /nfs/dbraw/zinc/47/48/53/1041474853.db2.gz CLIMBBIXFMWUBI-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP Cc1cnc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001235974730 1041479426 /nfs/dbraw/zinc/47/94/26/1041479426.db2.gz UWEVHSYUDWQYGC-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1cnc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001235974730 1041479432 /nfs/dbraw/zinc/47/94/32/1041479432.db2.gz UWEVHSYUDWQYGC-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235977576 1041481366 /nfs/dbraw/zinc/48/13/66/1041481366.db2.gz NAKKBVQJKILSTE-UHFFFAOYSA-N 2 1 394.469 3.992 20 0 GHADMP CCCN(C(=O)NCC[NH+]1CCC[C@H]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001256034209 1041485735 /nfs/dbraw/zinc/48/57/35/1041485735.db2.gz WSGFWYNBTMSPKT-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@@H+]1CCC[C@H]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001256034209 1041485753 /nfs/dbraw/zinc/48/57/53/1041485753.db2.gz WSGFWYNBTMSPKT-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@H+]1CCC[C@H]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001256034209 1041485770 /nfs/dbraw/zinc/48/57/70/1041485770.db2.gz WSGFWYNBTMSPKT-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001256067171 1041504309 /nfs/dbraw/zinc/50/43/09/1041504309.db2.gz DSDSNNRHLIGEDR-AVRDEDQJSA-N 2 1 377.573 3.773 20 0 GHADMP Brc1cccc(CC2([NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)c1 ZINC001256072747 1041508718 /nfs/dbraw/zinc/50/87/18/1041508718.db2.gz WJWFAOQIZSMMIB-UHFFFAOYSA-N 2 1 393.369 3.757 20 0 GHADMP c1ccc(C[NH+]2CCC(OC3CC[NH+](C4CC[NH+](C5CC5)CC4)CC3)CC2)cc1 ZINC001256082034 1041514069 /nfs/dbraw/zinc/51/40/69/1041514069.db2.gz QGTHPYQINFGUBU-UHFFFAOYSA-N 3 1 397.607 3.759 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2cc(C)c(OCc3ccccc3)c(C)c2)CC1 ZINC001236065784 1041519618 /nfs/dbraw/zinc/51/96/18/1041519618.db2.gz ICDQQNJUOJBSMC-JOCHJYFZSA-N 2 1 396.531 3.595 20 0 GHADMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256114459 1041538939 /nfs/dbraw/zinc/53/89/39/1041538939.db2.gz DDVLUFYIOUBBJD-BHDDXSALSA-N 2 1 394.563 3.864 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001236145875 1041569885 /nfs/dbraw/zinc/56/98/85/1041569885.db2.gz NYSQJOUZIWXRFK-HSZRJFAPSA-N 2 1 379.548 3.785 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001236145875 1041569900 /nfs/dbraw/zinc/56/99/00/1041569900.db2.gz NYSQJOUZIWXRFK-HSZRJFAPSA-N 2 1 379.548 3.785 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001236145875 1041569914 /nfs/dbraw/zinc/56/99/14/1041569914.db2.gz NYSQJOUZIWXRFK-HSZRJFAPSA-N 2 1 379.548 3.785 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)c1C ZINC001236155007 1041576842 /nfs/dbraw/zinc/57/68/42/1041576842.db2.gz FQWXKZBNFXDCRJ-GOSISDBHSA-N 2 1 379.621 3.573 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)Cc3cccc(OC)c3)cc2)CC1 ZINC001256149765 1041589730 /nfs/dbraw/zinc/58/97/30/1041589730.db2.gz RCJXFBCVMDFTTD-FQEVSTJZSA-N 2 1 381.564 3.554 20 0 GHADMP C[N@H+](Cc1c(Br)cccc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223935 1041629890 /nfs/dbraw/zinc/62/98/90/1041629890.db2.gz RDFZNGRCFGGDRE-XYPYZODXSA-N 2 1 376.136 3.913 20 0 GHADMP C[N@@H+](Cc1c(Br)cccc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223935 1041629894 /nfs/dbraw/zinc/62/98/94/1041629894.db2.gz RDFZNGRCFGGDRE-XYPYZODXSA-N 2 1 376.136 3.913 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236235902 1041636420 /nfs/dbraw/zinc/63/64/20/1041636420.db2.gz GHYJVXQJDYLODA-FCEUIQTBSA-N 2 1 399.579 3.571 20 0 GHADMP C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304072 1041666450 /nfs/dbraw/zinc/66/64/50/1041666450.db2.gz GYPJJLXMKXISPN-PZJWPPBQSA-N 2 1 391.550 3.855 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304072 1041666454 /nfs/dbraw/zinc/66/64/54/1041666454.db2.gz GYPJJLXMKXISPN-PZJWPPBQSA-N 3 1 391.550 3.855 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304072 1041666475 /nfs/dbraw/zinc/66/64/75/1041666475.db2.gz GYPJJLXMKXISPN-PZJWPPBQSA-N 3 1 391.550 3.855 20 0 GHADMP Brc1ccc(C[N@H+](Cc2ccn3ccnc3c2)C2CC[NH2+]CC2)cc1 ZINC001236376442 1041687764 /nfs/dbraw/zinc/68/77/64/1041687764.db2.gz JTPBOSRKHHACTA-UHFFFAOYSA-N 2 1 399.336 3.851 20 0 GHADMP Brc1ccc(C[N@@H+](Cc2ccn3ccnc3c2)C2CC[NH2+]CC2)cc1 ZINC001236376442 1041687770 /nfs/dbraw/zinc/68/77/70/1041687770.db2.gz JTPBOSRKHHACTA-UHFFFAOYSA-N 2 1 399.336 3.851 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376823 1041688489 /nfs/dbraw/zinc/68/84/89/1041688489.db2.gz USWJMPVOROWGRG-QGZVFWFLSA-N 3 1 376.614 3.663 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376823 1041688494 /nfs/dbraw/zinc/68/84/94/1041688494.db2.gz USWJMPVOROWGRG-QGZVFWFLSA-N 2 1 376.614 3.663 20 0 GHADMP OCc1ccc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cc1 ZINC001236378032 1041689740 /nfs/dbraw/zinc/68/97/40/1041689740.db2.gz SESXYCRGCTYJDP-UHFFFAOYSA-N 2 1 389.337 3.696 20 0 GHADMP OCc1ccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cc1 ZINC001236378032 1041689742 /nfs/dbraw/zinc/68/97/42/1041689742.db2.gz SESXYCRGCTYJDP-UHFFFAOYSA-N 2 1 389.337 3.696 20 0 GHADMP COc1ncc(Cl)cc1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236381525 1041690475 /nfs/dbraw/zinc/69/04/75/1041690475.db2.gz LBWQJOCXDJPDTP-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1 ZINC001236381684 1041690598 /nfs/dbraw/zinc/69/05/98/1041690598.db2.gz LTUKYOWSESOESR-UHFFFAOYSA-N 3 1 399.554 3.768 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236408762 1041704259 /nfs/dbraw/zinc/70/42/59/1041704259.db2.gz SNBOMXNWJJGYPM-UHFFFAOYSA-N 2 1 384.495 3.686 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236408762 1041704266 /nfs/dbraw/zinc/70/42/66/1041704266.db2.gz SNBOMXNWJJGYPM-UHFFFAOYSA-N 2 1 384.495 3.686 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1[NH3+] ZINC001236416246 1041706231 /nfs/dbraw/zinc/70/62/31/1041706231.db2.gz SJPYPISRSVGNAI-OALUTQOASA-N 2 1 392.421 3.695 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2cccc(-c3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1[NH3+] ZINC001236416246 1041706240 /nfs/dbraw/zinc/70/62/40/1041706240.db2.gz SJPYPISRSVGNAI-OALUTQOASA-N 2 1 392.421 3.695 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](C)Cc2ccc3c(c2)OCO3)C2CC[NH2+]CC2)cc1 ZINC001236439412 1041711028 /nfs/dbraw/zinc/71/10/28/1041711028.db2.gz FMRTWPKLELZWLH-GOSISDBHSA-N 2 1 396.531 3.857 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CC1 ZINC001236449893 1041717987 /nfs/dbraw/zinc/71/79/87/1041717987.db2.gz DCUFOIJWZLQHDL-QAQDUYKDSA-N 2 1 378.944 3.873 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1c[nH]c2ncc(Br)cc12)C1CC[NH2+]CC1 ZINC001236458612 1041721276 /nfs/dbraw/zinc/72/12/76/1041721276.db2.gz ZLLCCNZFVKAPSW-UHFFFAOYSA-N 2 1 379.346 3.926 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236457938 1041721727 /nfs/dbraw/zinc/72/17/27/1041721727.db2.gz ROSDZEQSJDEPKX-UHFFFAOYSA-N 2 1 393.373 3.936 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256461175 1041742960 /nfs/dbraw/zinc/74/29/60/1041742960.db2.gz IARZOAIBHLXRLE-HBFSDRIKSA-N 2 1 375.557 3.871 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H]2COC3(CCCCC3)O2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543040 1041757390 /nfs/dbraw/zinc/75/73/90/1041757390.db2.gz LTZNNIICCCKFGE-ONTIZHBOSA-N 2 1 388.552 3.843 20 0 GHADMP COc1ccc(C[N@H+](Cc2cc(F)c(O)c(F)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544098 1041757500 /nfs/dbraw/zinc/75/75/00/1041757500.db2.gz ASMWKWFVMBARLZ-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc(F)c(O)c(F)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544098 1041757505 /nfs/dbraw/zinc/75/75/05/1041757505.db2.gz ASMWKWFVMBARLZ-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1O ZINC001236550970 1041758581 /nfs/dbraw/zinc/75/85/81/1041758581.db2.gz GFBPFGBFDAUJNN-SHTZXODSSA-N 2 1 385.346 3.891 20 0 GHADMP COc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc(Br)c1OC ZINC001236551742 1041759473 /nfs/dbraw/zinc/75/94/73/1041759473.db2.gz MONQFOSMHYKHTO-WKILWMFISA-N 2 1 397.357 3.948 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553551 1041759730 /nfs/dbraw/zinc/75/97/30/1041759730.db2.gz QGUMZWFAISFAAK-WKILWMFISA-N 2 1 391.357 3.818 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1c(Br)cnn1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556591 1041761590 /nfs/dbraw/zinc/76/15/90/1041761590.db2.gz XBZPXKVRVOLICR-QAQDUYKDSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1ccccc1C[N@H+](Cc1c(Br)cnn1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556591 1041761593 /nfs/dbraw/zinc/76/15/93/1041761593.db2.gz XBZPXKVRVOLICR-QAQDUYKDSA-N 2 1 391.357 3.763 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236564013 1041765121 /nfs/dbraw/zinc/76/51/21/1041765121.db2.gz BWJLVURHSBWRHV-YYWHXJBOSA-N 2 1 381.520 3.761 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236572930 1041766928 /nfs/dbraw/zinc/76/69/28/1041766928.db2.gz RAVNMUZAQPSEGU-GKBXCCHVSA-N 2 1 378.463 3.775 20 0 GHADMP CCOc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc(Br)c1O ZINC001236599005 1041773396 /nfs/dbraw/zinc/77/33/96/1041773396.db2.gz NZEACALRHGMBLR-CYBMUJFWSA-N 2 1 383.330 3.517 20 0 GHADMP CCOc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc(Br)c1O ZINC001236599005 1041773402 /nfs/dbraw/zinc/77/34/02/1041773402.db2.gz NZEACALRHGMBLR-CYBMUJFWSA-N 2 1 383.330 3.517 20 0 GHADMP Cc1c(I)cccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236604002 1041776046 /nfs/dbraw/zinc/77/60/46/1041776046.db2.gz AZDOSODYQQHIOC-CQSZACIVSA-N 2 1 384.305 3.564 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)ccc1OCc1ccccc1 ZINC001236620406 1041786722 /nfs/dbraw/zinc/78/67/22/1041786722.db2.gz CDRPTCAWSUSZAT-QHCPKHFHSA-N 2 1 379.548 3.571 20 0 GHADMP CN(c1ccc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cc1)c1ccccc1F ZINC001236622852 1041788797 /nfs/dbraw/zinc/78/87/97/1041788797.db2.gz PXEGQLSUHCXJGV-NRFANRHFSA-N 2 1 382.527 3.591 20 0 GHADMP COc1ccc2sc(C[N@H+]3C[C@H]4C[NH+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2c1 ZINC001236658944 1041807964 /nfs/dbraw/zinc/80/79/64/1041807964.db2.gz VSBHHCPXKZOXAO-IEBWSBKVSA-N 2 1 396.560 3.597 20 0 GHADMP COc1ccc2sc(C[N@@H+]3C[C@H]4C[NH+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2c1 ZINC001236658944 1041807971 /nfs/dbraw/zinc/80/79/71/1041807971.db2.gz VSBHHCPXKZOXAO-IEBWSBKVSA-N 2 1 396.560 3.597 20 0 GHADMP COc1ccc2sc(C[NH+]3C[C@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2c1 ZINC001236658944 1041807976 /nfs/dbraw/zinc/80/79/76/1041807976.db2.gz VSBHHCPXKZOXAO-IEBWSBKVSA-N 2 1 396.560 3.597 20 0 GHADMP COc1ccc2sc(C[NH+]3C[C@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc2c1 ZINC001236658944 1041807980 /nfs/dbraw/zinc/80/79/80/1041807980.db2.gz VSBHHCPXKZOXAO-IEBWSBKVSA-N 2 1 396.560 3.597 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CCOCCOCc2ccccc2)Cc2ccccc2)CC1 ZINC001236682913 1041828014 /nfs/dbraw/zinc/82/80/14/1041828014.db2.gz ZUKUREVHZQRTIQ-RQNOJGIXSA-N 2 1 382.548 3.992 20 0 GHADMP Cc1cc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc(C)c1OCCO ZINC001236694807 1041837009 /nfs/dbraw/zinc/83/70/09/1041837009.db2.gz RGPAGOWYXNHAPM-YHBQERECSA-N 2 1 382.548 3.947 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717186 1041852930 /nfs/dbraw/zinc/85/29/30/1041852930.db2.gz FFGHLOAPSTTXIZ-UTKZUKDTSA-N 2 1 398.469 3.607 20 0 GHADMP COc1ccc2n[nH]c(C[N@@H+](Cc3ccc(F)cc3)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236741609 1041868650 /nfs/dbraw/zinc/86/86/50/1041868650.db2.gz KAXSSZKSEFPACL-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc2[nH]nc(C[N@H+](Cc3ccc(F)cc3)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236741609 1041868662 /nfs/dbraw/zinc/86/86/62/1041868662.db2.gz KAXSSZKSEFPACL-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc2[nH]nc(C[N@@H+](Cc3ccc(F)cc3)[C@H]3CC[C@H]([NH3+])CC3)c2c1 ZINC001236741609 1041868672 /nfs/dbraw/zinc/86/86/72/1041868672.db2.gz KAXSSZKSEFPACL-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236759661 1041876345 /nfs/dbraw/zinc/87/63/45/1041876345.db2.gz ZUCPEUNLQRBRAX-XUTJKUGGSA-N 2 1 393.597 3.710 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)cn2)C[C@H](C)O1 ZINC001236766899 1041880143 /nfs/dbraw/zinc/88/01/43/1041880143.db2.gz HSWGRXVTHVUFBT-KLVAFBDRSA-N 2 1 388.600 3.813 20 0 GHADMP CCC(CC)[N@@H+](Cc1ccc(F)c(N2CCN(C)CC2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791635 1041897072 /nfs/dbraw/zinc/89/70/72/1041897072.db2.gz WQTHZFUJQWSJAJ-XUTJKUGGSA-N 3 1 390.591 3.838 20 0 GHADMP CCC(CC)[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791635 1041897074 /nfs/dbraw/zinc/89/70/74/1041897074.db2.gz WQTHZFUJQWSJAJ-XUTJKUGGSA-N 3 1 390.591 3.838 20 0 GHADMP CCC(CC)[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791635 1041897076 /nfs/dbraw/zinc/89/70/76/1041897076.db2.gz WQTHZFUJQWSJAJ-XUTJKUGGSA-N 3 1 390.591 3.838 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@@H]12 ZINC001236832625 1041921537 /nfs/dbraw/zinc/92/15/37/1041921537.db2.gz WGMTUEUAFNMKAL-BMGDILEWSA-N 2 1 377.410 3.816 20 0 GHADMP CCC[N@H+](Cc1ccc(Br)c2ccc(OC)nc12)C[C@H]1CC[NH2+]C1 ZINC001236845042 1041926213 /nfs/dbraw/zinc/92/62/13/1041926213.db2.gz YFRJCTZTGTVAOO-AWEZNQCLSA-N 2 1 392.341 3.827 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@@H](Sc4ccncc4)C3)c2)CC1 ZINC001236897651 1041944561 /nfs/dbraw/zinc/94/45/61/1041944561.db2.gz FPSNQAPFPLDMDU-JOCHJYFZSA-N 2 1 382.577 3.590 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001237058722 1042013684 /nfs/dbraw/zinc/01/36/84/1042013684.db2.gz RMSGGYUMGDABLR-VWLOTQADSA-N 3 1 392.591 3.570 20 0 GHADMP C[C@@]1(C[NH3+])CCCN(Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001237058722 1042013689 /nfs/dbraw/zinc/01/36/89/1042013689.db2.gz RMSGGYUMGDABLR-VWLOTQADSA-N 2 1 392.591 3.570 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scc(Br)c1Br ZINC001237078841 1042024540 /nfs/dbraw/zinc/02/45/40/1042024540.db2.gz UKSMSYVQGHLDIQ-PBINXNQUSA-N 2 1 394.176 3.975 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scc(Br)c1Br ZINC001237078841 1042024543 /nfs/dbraw/zinc/02/45/43/1042024543.db2.gz UKSMSYVQGHLDIQ-PBINXNQUSA-N 2 1 394.176 3.975 20 0 GHADMP C[C@H]1CNCC(F)(F)[C@H]1CN1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001237192031 1042087140 /nfs/dbraw/zinc/08/71/40/1042087140.db2.gz RSCWXUMYMUKVJX-RYUDHWBXSA-N 2 1 396.284 3.745 20 0 GHADMP COc1nc(Cl)ccc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001237247129 1042106104 /nfs/dbraw/zinc/10/61/04/1042106104.db2.gz ZQFAFVIGPJHVQL-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COc1nc(Cl)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001237247129 1042106107 /nfs/dbraw/zinc/10/61/07/1042106107.db2.gz ZQFAFVIGPJHVQL-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001237263628 1042113129 /nfs/dbraw/zinc/11/31/29/1042113129.db2.gz DJZSXXJSNUHHPL-JWQCQUIFSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001237263628 1042113135 /nfs/dbraw/zinc/11/31/35/1042113135.db2.gz DJZSXXJSNUHHPL-JWQCQUIFSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001237263628 1042113140 /nfs/dbraw/zinc/11/31/40/1042113140.db2.gz DJZSXXJSNUHHPL-JWQCQUIFSA-N 3 1 375.560 3.676 20 0 GHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001237276327 1042119609 /nfs/dbraw/zinc/11/96/09/1042119609.db2.gz VGOJNUVIJVPXSD-GOSISDBHSA-N 2 1 392.522 3.762 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001278087840 1042168042 /nfs/dbraw/zinc/16/80/42/1042168042.db2.gz STDOSUOSLVSMHJ-ISJRUSPKSA-N 2 1 389.559 3.709 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001278087840 1042168044 /nfs/dbraw/zinc/16/80/44/1042168044.db2.gz STDOSUOSLVSMHJ-ISJRUSPKSA-N 2 1 389.559 3.709 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001278087840 1042168046 /nfs/dbraw/zinc/16/80/46/1042168046.db2.gz STDOSUOSLVSMHJ-ISJRUSPKSA-N 2 1 389.559 3.709 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)CCC12C[NH2+]C2 ZINC001237429731 1042204602 /nfs/dbraw/zinc/20/46/02/1042204602.db2.gz IUYAGVVLTMGUAL-LJQANCHMSA-N 2 1 378.472 3.561 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2c(F)cccc2Oc2ccccc2)CCC12C[NH2+]C2 ZINC001237430528 1042205591 /nfs/dbraw/zinc/20/55/91/1042205591.db2.gz KWGJBFJSRVNARH-IBGZPJMESA-N 2 1 398.478 3.593 20 0 GHADMP COc1ccc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)nc1 ZINC001237878997 1042406692 /nfs/dbraw/zinc/40/66/92/1042406692.db2.gz IKUSXIAULMXLEW-FQEVSTJZSA-N 2 1 379.504 3.745 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001237901220 1042416087 /nfs/dbraw/zinc/41/60/87/1042416087.db2.gz UDWWQBBAASVAFR-CALCHBBNSA-N 2 1 378.442 3.869 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001237901220 1042416088 /nfs/dbraw/zinc/41/60/88/1042416088.db2.gz UDWWQBBAASVAFR-CALCHBBNSA-N 2 1 378.442 3.869 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001237901220 1042416090 /nfs/dbraw/zinc/41/60/90/1042416090.db2.gz UDWWQBBAASVAFR-CALCHBBNSA-N 2 1 378.442 3.869 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001237901220 1042416094 /nfs/dbraw/zinc/41/60/94/1042416094.db2.gz UDWWQBBAASVAFR-CALCHBBNSA-N 2 1 378.442 3.869 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4c(N)ccnc4F)CC3)C2)cc1 ZINC001238152985 1042506376 /nfs/dbraw/zinc/50/63/76/1042506376.db2.gz RMURYKVKORVYIR-UHFFFAOYSA-N 2 1 382.527 3.990 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4c(N)ccnc4F)CC3)C2)cc1 ZINC001238152985 1042506379 /nfs/dbraw/zinc/50/63/79/1042506379.db2.gz RMURYKVKORVYIR-UHFFFAOYSA-N 2 1 382.527 3.990 20 0 GHADMP Cc1c(Cl)ccc(C[N@@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C ZINC001238213709 1042521894 /nfs/dbraw/zinc/52/18/94/1042521894.db2.gz OLAWMXRRFUIZIN-UHFFFAOYSA-N 2 1 390.959 3.637 20 0 GHADMP Cc1c(Cl)ccc(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C ZINC001238213709 1042521896 /nfs/dbraw/zinc/52/18/96/1042521896.db2.gz OLAWMXRRFUIZIN-UHFFFAOYSA-N 2 1 390.959 3.637 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001238534434 1042632253 /nfs/dbraw/zinc/63/22/53/1042632253.db2.gz WWQBBQDXSYTJFG-XZOQPEGZSA-N 2 1 398.982 3.921 20 0 GHADMP COC(=O)C[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462638237 1070433912 /nfs/dbraw/zinc/43/39/12/1070433912.db2.gz NCQXPMATYONMGM-ZJZGAYNASA-N 2 1 392.543 3.804 20 0 GHADMP CSc1cc(C)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001238681101 1042682230 /nfs/dbraw/zinc/68/22/30/1042682230.db2.gz DCOHDANRAUINOK-FYYLOGMGSA-N 2 1 397.588 3.835 20 0 GHADMP CSc1cc(C)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001238681101 1042682233 /nfs/dbraw/zinc/68/22/33/1042682233.db2.gz DCOHDANRAUINOK-FYYLOGMGSA-N 2 1 397.588 3.835 20 0 GHADMP CSc1cc(C)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001238681101 1042682237 /nfs/dbraw/zinc/68/22/37/1042682237.db2.gz DCOHDANRAUINOK-FYYLOGMGSA-N 2 1 397.588 3.835 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3ccc(N4CC[NH+](C)CC4)cc3)c(C)c2)CC1 ZINC001240850769 1042958600 /nfs/dbraw/zinc/95/86/00/1042958600.db2.gz XTUSKDYNYCYJDV-UHFFFAOYSA-N 2 1 376.548 3.918 20 0 GHADMP C[C@@H](c1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc1)N1CC[NH2+]CC1 ZINC001240872934 1042961841 /nfs/dbraw/zinc/96/18/41/1042961841.db2.gz YRPJXRQGFIMGHN-FQEVSTJZSA-N 2 1 391.559 3.641 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001291562802 1043345466 /nfs/dbraw/zinc/34/54/66/1043345466.db2.gz JARNQPNPFUVGNT-UXHICEINSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CCCN3C)[nH]n2)cc1 ZINC001291584980 1043350268 /nfs/dbraw/zinc/35/02/68/1043350268.db2.gz HTHVNJSQLCCMEG-HRAATJIYSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)cc1 ZINC001291584980 1043350278 /nfs/dbraw/zinc/35/02/78/1043350278.db2.gz HTHVNJSQLCCMEG-HRAATJIYSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)cc1 ZINC001291584980 1043350282 /nfs/dbraw/zinc/35/02/82/1043350282.db2.gz HTHVNJSQLCCMEG-HRAATJIYSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)cc1 ZINC001291584980 1043350292 /nfs/dbraw/zinc/35/02/92/1043350292.db2.gz HTHVNJSQLCCMEG-HRAATJIYSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)cc1 ZINC001291584980 1043350302 /nfs/dbraw/zinc/35/03/02/1043350302.db2.gz HTHVNJSQLCCMEG-HRAATJIYSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256524999 1043449853 /nfs/dbraw/zinc/44/98/53/1043449853.db2.gz XTGPZJBKHXMGOI-WFMNFSIZSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256524999 1043449875 /nfs/dbraw/zinc/44/98/75/1043449875.db2.gz XTGPZJBKHXMGOI-WFMNFSIZSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256529248 1043457816 /nfs/dbraw/zinc/45/78/16/1043457816.db2.gz ARVGMSLYJOHKBU-AVRDEDQJSA-N 2 1 375.520 3.625 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC[N@H+]1Cc1ccccc1 ZINC001256529248 1043457826 /nfs/dbraw/zinc/45/78/26/1043457826.db2.gz ARVGMSLYJOHKBU-AVRDEDQJSA-N 2 1 375.520 3.625 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531437 1043463980 /nfs/dbraw/zinc/46/39/80/1043463980.db2.gz HURATLCSJKZPMJ-HUVFLSCGSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531437 1043464004 /nfs/dbraw/zinc/46/40/04/1043464004.db2.gz HURATLCSJKZPMJ-HUVFLSCGSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256532305 1043467090 /nfs/dbraw/zinc/46/70/90/1043467090.db2.gz XKTANRUEXCPQDV-MISYRCLQSA-N 2 1 393.531 3.764 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256532305 1043467105 /nfs/dbraw/zinc/46/71/05/1043467105.db2.gz XKTANRUEXCPQDV-MISYRCLQSA-N 2 1 393.531 3.764 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256532306 1043467692 /nfs/dbraw/zinc/46/76/92/1043467692.db2.gz XKTANRUEXCPQDV-RLLQIKCJSA-N 2 1 393.531 3.764 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256532306 1043467700 /nfs/dbraw/zinc/46/77/00/1043467700.db2.gz XKTANRUEXCPQDV-RLLQIKCJSA-N 2 1 393.531 3.764 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCCN(c3ccc(F)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535750 1043477684 /nfs/dbraw/zinc/47/76/84/1043477684.db2.gz COBMSUXTJHPEIP-UGKGYDQZSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCCN(c3ccc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535750 1043477698 /nfs/dbraw/zinc/47/76/98/1043477698.db2.gz COBMSUXTJHPEIP-UGKGYDQZSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535750 1043477713 /nfs/dbraw/zinc/47/77/13/1043477713.db2.gz COBMSUXTJHPEIP-UGKGYDQZSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535750 1043477726 /nfs/dbraw/zinc/47/77/26/1043477726.db2.gz COBMSUXTJHPEIP-UGKGYDQZSA-N 2 1 382.527 3.786 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256540628 1043491936 /nfs/dbraw/zinc/49/19/36/1043491936.db2.gz GTFXHNKTPOVSDV-KNQAVFIVSA-N 2 1 378.564 3.982 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256540628 1043491947 /nfs/dbraw/zinc/49/19/47/1043491947.db2.gz GTFXHNKTPOVSDV-KNQAVFIVSA-N 2 1 378.564 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCc3ncnc(C4CC4)c3CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256545806 1043501442 /nfs/dbraw/zinc/50/14/42/1043501442.db2.gz HYGGWWJAESQKSC-NQIIRXRSSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCc3ncnc(C4CC4)c3CC2)CC[N@H+]1Cc1ccccc1 ZINC001256545806 1043501449 /nfs/dbraw/zinc/50/14/49/1043501449.db2.gz HYGGWWJAESQKSC-NQIIRXRSSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCc3ncnc(C4CC4)c3CC2)CC[NH+]1Cc1ccccc1 ZINC001256545806 1043501453 /nfs/dbraw/zinc/50/14/53/1043501453.db2.gz HYGGWWJAESQKSC-NQIIRXRSSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCc3ncnc(C4CC4)c3CC2)CC[NH+]1Cc1ccccc1 ZINC001256545806 1043501461 /nfs/dbraw/zinc/50/14/61/1043501461.db2.gz HYGGWWJAESQKSC-NQIIRXRSSA-N 2 1 376.548 3.808 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256553128 1043520121 /nfs/dbraw/zinc/52/01/21/1043520121.db2.gz FDPIPFOLYREXFG-KJXAQDMKSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256553128 1043520127 /nfs/dbraw/zinc/52/01/27/1043520127.db2.gz FDPIPFOLYREXFG-KJXAQDMKSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256553128 1043520131 /nfs/dbraw/zinc/52/01/31/1043520131.db2.gz FDPIPFOLYREXFG-KJXAQDMKSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256553128 1043520138 /nfs/dbraw/zinc/52/01/38/1043520138.db2.gz FDPIPFOLYREXFG-KJXAQDMKSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001256553243 1043520885 /nfs/dbraw/zinc/52/08/85/1043520885.db2.gz FQVZINACVRRTAG-RCZSKKKRSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001256553243 1043520892 /nfs/dbraw/zinc/52/08/92/1043520892.db2.gz FQVZINACVRRTAG-RCZSKKKRSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001256553243 1043520901 /nfs/dbraw/zinc/52/09/01/1043520901.db2.gz FQVZINACVRRTAG-RCZSKKKRSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001256553243 1043520910 /nfs/dbraw/zinc/52/09/10/1043520910.db2.gz FQVZINACVRRTAG-RCZSKKKRSA-N 2 1 381.520 3.596 20 0 GHADMP C[C@H]1C[C@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256553519 1043521131 /nfs/dbraw/zinc/52/11/31/1043521131.db2.gz HXSZTOUWRNSXMN-XUZZJYLKSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@H]1C[C@H](N2CC3(CC[NH+]3Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256553519 1043521141 /nfs/dbraw/zinc/52/11/41/1043521141.db2.gz HXSZTOUWRNSXMN-XUZZJYLKSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@H]1C[C@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001256553519 1043521147 /nfs/dbraw/zinc/52/11/47/1043521147.db2.gz HXSZTOUWRNSXMN-XUZZJYLKSA-N 2 1 375.560 4.000 20 0 GHADMP C[C@H]1C[C@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001256553519 1043521156 /nfs/dbraw/zinc/52/11/56/1043521156.db2.gz HXSZTOUWRNSXMN-XUZZJYLKSA-N 2 1 375.560 4.000 20 0 GHADMP COc1cc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001256553247 1043521850 /nfs/dbraw/zinc/52/18/50/1043521850.db2.gz FQVZINACVRRTAG-SYYKKAFVSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001256553247 1043521860 /nfs/dbraw/zinc/52/18/60/1043521860.db2.gz FQVZINACVRRTAG-SYYKKAFVSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001256553247 1043521870 /nfs/dbraw/zinc/52/18/70/1043521870.db2.gz FQVZINACVRRTAG-SYYKKAFVSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001256553247 1043521879 /nfs/dbraw/zinc/52/18/79/1043521879.db2.gz FQVZINACVRRTAG-SYYKKAFVSA-N 2 1 381.520 3.596 20 0 GHADMP C[C@H]1C[C@H](n2cc3c(cccc3N3CC[NH2+]CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001256555072 1043522824 /nfs/dbraw/zinc/52/28/24/1043522824.db2.gz SSBRUGYAVICOJR-PZJWPPBQSA-N 2 1 389.547 3.672 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256572359 1043546841 /nfs/dbraw/zinc/54/68/41/1043546841.db2.gz GRTUHTYVGGFHFP-UHFFFAOYSA-N 2 1 388.600 3.985 20 0 GHADMP CC(C)(C)[NH+]1CCC(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001256577672 1043549534 /nfs/dbraw/zinc/54/95/34/1043549534.db2.gz PNPHIXDORFDTTN-UHFFFAOYSA-N 2 1 389.559 3.669 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C1CC[NH+](Cc2ccncc2)CC1 ZINC001256596282 1043562215 /nfs/dbraw/zinc/56/22/15/1043562215.db2.gz PUYLWEBRGVFNBZ-NHCUHLMSSA-N 2 1 378.564 3.641 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C1CC[NH+](Cc2ccncc2)CC1 ZINC001256596282 1043562226 /nfs/dbraw/zinc/56/22/26/1043562226.db2.gz PUYLWEBRGVFNBZ-NHCUHLMSSA-N 2 1 378.564 3.641 20 0 GHADMP COc1cc2c(cc1OC)C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256604451 1043567413 /nfs/dbraw/zinc/56/74/13/1043567413.db2.gz MHSWFXXZVLEKBR-JOCHJYFZSA-N 2 1 380.532 3.815 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606625 1043570234 /nfs/dbraw/zinc/57/02/34/1043570234.db2.gz ZMQRABLTDUEIMR-OYRHEFFESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606625 1043570237 /nfs/dbraw/zinc/57/02/37/1043570237.db2.gz ZMQRABLTDUEIMR-OYRHEFFESA-N 2 1 399.579 3.840 20 0 GHADMP O=C1C[C@]2(CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)CN1c1ccsc1 ZINC001256607112 1043572686 /nfs/dbraw/zinc/57/26/86/1043572686.db2.gz HTXGFXPWUAHDEF-QHCPKHFHSA-N 2 1 395.572 3.842 20 0 GHADMP O=C1C[C@]2(CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)CN1c1ccsc1 ZINC001256607112 1043572692 /nfs/dbraw/zinc/57/26/92/1043572692.db2.gz HTXGFXPWUAHDEF-QHCPKHFHSA-N 2 1 395.572 3.842 20 0 GHADMP COC(=O)[C@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC001256612927 1043577528 /nfs/dbraw/zinc/57/75/28/1043577528.db2.gz SBGOVLCVLDMKRV-GOTSBHOMSA-N 2 1 378.516 3.887 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](CCN3C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001256613871 1043578891 /nfs/dbraw/zinc/57/88/91/1043578891.db2.gz XIZVDOFWDLAFEV-ZCYQVOJMSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](CCN3C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001256613871 1043578904 /nfs/dbraw/zinc/57/89/04/1043578904.db2.gz XIZVDOFWDLAFEV-ZCYQVOJMSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC001256613869 1043579249 /nfs/dbraw/zinc/57/92/49/1043579249.db2.gz XIZVDOFWDLAFEV-NOZRDPDXSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C2)cc1 ZINC001256613869 1043579254 /nfs/dbraw/zinc/57/92/54/1043579254.db2.gz XIZVDOFWDLAFEV-NOZRDPDXSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256690926 1043625521 /nfs/dbraw/zinc/62/55/21/1043625521.db2.gz LAFPLSOCQCGOGQ-FPPAHVCDSA-N 2 1 384.564 3.669 20 0 GHADMP Fc1ccc(Cl)c(C[NH2+][C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)c1 ZINC001278968942 1043700562 /nfs/dbraw/zinc/70/05/62/1043700562.db2.gz UJMBHQOGDINMTK-UXHICEINSA-N 2 1 376.907 3.900 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)[C@@H](C)C1 ZINC001256886219 1043723451 /nfs/dbraw/zinc/72/34/51/1043723451.db2.gz JRDYMBDPCDWGAU-MAUKXSAKSA-N 2 1 384.490 3.778 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256950608 1043770066 /nfs/dbraw/zinc/77/00/66/1043770066.db2.gz HZVUUXJTTUXQAA-MHTWAQMVSA-N 2 1 385.552 3.621 20 0 GHADMP COC(=O)CC1CCC([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001256976865 1043780635 /nfs/dbraw/zinc/78/06/35/1043780635.db2.gz KYHJITUSZTZMMO-ARLUFPTBSA-N 2 1 390.527 3.685 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCc1cc(C)sc1C ZINC001292583076 1043796237 /nfs/dbraw/zinc/79/62/37/1043796237.db2.gz WYQJRKFJOIRBEJ-HXUWFJFHSA-N 2 1 379.614 3.562 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)N(c2[nH+]cccc2C)C2CC[NH2+]CC2)cc1 ZINC001257172052 1043915670 /nfs/dbraw/zinc/91/56/70/1043915670.db2.gz WBVFPCNMIXHSGR-SFHVURJKSA-N 2 1 381.520 3.756 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC001293053096 1044002856 /nfs/dbraw/zinc/00/28/56/1044002856.db2.gz XURBOYGAMAVUPD-FQEVSTJZSA-N 2 1 391.987 3.886 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257557070 1044041382 /nfs/dbraw/zinc/04/13/82/1044041382.db2.gz CJSZBIRMBAHOCN-HNNXBMFYSA-N 3 1 384.406 3.855 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257789052 1044172833 /nfs/dbraw/zinc/17/28/33/1044172833.db2.gz CWEMGVBKSDALOU-DXIQSLLYSA-N 2 1 379.589 3.878 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001279056722 1044250524 /nfs/dbraw/zinc/25/05/24/1044250524.db2.gz KDJWJHXXXYFFHH-UHFFFAOYSA-N 2 1 381.362 3.793 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001279056722 1044250538 /nfs/dbraw/zinc/25/05/38/1044250538.db2.gz KDJWJHXXXYFFHH-UHFFFAOYSA-N 2 1 381.362 3.793 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC3CCOCC3)c(F)c2)CC1 ZINC001258007350 1044333446 /nfs/dbraw/zinc/33/34/46/1044333446.db2.gz CHEUMYFJKSOUJI-UHFFFAOYSA-N 2 1 378.532 3.841 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC1 ZINC001258013319 1044338822 /nfs/dbraw/zinc/33/88/22/1044338822.db2.gz OBRMFTNUGZORQX-PWIZWCRZSA-N 2 1 375.582 3.903 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258132575 1044418076 /nfs/dbraw/zinc/41/80/76/1044418076.db2.gz ZCISORWPHVXGHE-XVAYZXCPSA-N 2 1 399.579 3.539 20 0 GHADMP Brc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC001258135197 1044419197 /nfs/dbraw/zinc/41/91/97/1044419197.db2.gz SJJVIGYXGZJORY-UHFFFAOYSA-N 2 1 388.353 3.683 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC001258138009 1044424091 /nfs/dbraw/zinc/42/40/91/1044424091.db2.gz PCJJUTXOLOCDEF-DEOSSOPVSA-N 2 1 393.575 3.566 20 0 GHADMP COc1ccc(C2([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CCOCC2)cc1 ZINC001258137854 1044424258 /nfs/dbraw/zinc/42/42/58/1044424258.db2.gz OKFMPNMFWHIFFE-UHFFFAOYSA-N 2 1 394.559 3.998 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141492 1044427113 /nfs/dbraw/zinc/42/71/13/1044427113.db2.gz AWURCRPEAURUGQ-UNMCSNQZSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141492 1044427131 /nfs/dbraw/zinc/42/71/31/1044427131.db2.gz AWURCRPEAURUGQ-UNMCSNQZSA-N 2 1 399.579 3.635 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001258142989 1044428737 /nfs/dbraw/zinc/42/87/37/1044428737.db2.gz JBEWPBBLCBOECO-LOSJGSFVSA-N 2 1 398.591 3.744 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001258142989 1044428742 /nfs/dbraw/zinc/42/87/42/1044428742.db2.gz JBEWPBBLCBOECO-LOSJGSFVSA-N 2 1 398.591 3.744 20 0 GHADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258338743 1044515427 /nfs/dbraw/zinc/51/54/27/1044515427.db2.gz UDPQYTAHDSOGRY-DFQSSKMNSA-N 2 1 377.598 3.525 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258338743 1044515446 /nfs/dbraw/zinc/51/54/46/1044515446.db2.gz UDPQYTAHDSOGRY-DFQSSKMNSA-N 2 1 377.598 3.525 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258338743 1044515463 /nfs/dbraw/zinc/51/54/63/1044515463.db2.gz UDPQYTAHDSOGRY-DFQSSKMNSA-N 2 1 377.598 3.525 20 0 GHADMP c1ccc(N2CCC([NH2+][C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)CC2)cc1 ZINC001258505869 1044585076 /nfs/dbraw/zinc/58/50/76/1044585076.db2.gz SIDBPKFWIDFGPR-RZFKFIIISA-N 2 1 396.623 3.584 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001258618647 1044670205 /nfs/dbraw/zinc/67/02/05/1044670205.db2.gz QFGVJVFQGMCJKV-ZPMCFJSWSA-N 2 1 381.520 3.571 20 0 GHADMP C[C@@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258750017 1044746899 /nfs/dbraw/zinc/74/68/99/1044746899.db2.gz UGYHOIMCEIYIIZ-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP CCC[NH+]1CCC(N2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001258772908 1044757078 /nfs/dbraw/zinc/75/70/78/1044757078.db2.gz BUIUMUZNTCMNTO-FQEVSTJZSA-N 2 1 391.625 3.678 20 0 GHADMP CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001294676035 1044760391 /nfs/dbraw/zinc/76/03/91/1044760391.db2.gz XORGJWYIHPRLNQ-FQEVSTJZSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258849125 1044790074 /nfs/dbraw/zinc/79/00/74/1044790074.db2.gz MJNHVGDXTLFICR-WXFUMESZSA-N 2 1 379.548 3.626 20 0 GHADMP CC[C@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258849125 1044790086 /nfs/dbraw/zinc/79/00/86/1044790086.db2.gz MJNHVGDXTLFICR-WXFUMESZSA-N 2 1 379.548 3.626 20 0 GHADMP CC[C@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258849125 1044790092 /nfs/dbraw/zinc/79/00/92/1044790092.db2.gz MJNHVGDXTLFICR-WXFUMESZSA-N 2 1 379.548 3.626 20 0 GHADMP COc1cc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])cc(OC)c1OC ZINC001258861508 1044800973 /nfs/dbraw/zinc/80/09/73/1044800973.db2.gz GBWXTTIJJFMTFX-MSOLQXFVSA-N 2 1 386.536 3.740 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)c1OC ZINC001261502958 1046012192 /nfs/dbraw/zinc/01/21/92/1046012192.db2.gz GCWRCRGSEHCNCJ-UHFFFAOYSA-N 2 1 387.549 3.793 20 0 GHADMP C[C@H](c1ccccc1)n1cnn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001262482959 1046260630 /nfs/dbraw/zinc/26/06/30/1046260630.db2.gz QXALDWNRSFHUGK-MDNKFWRPSA-N 2 1 385.581 3.643 20 0 GHADMP C[C@H](c1ccccc1)n1cnn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001262482959 1046260639 /nfs/dbraw/zinc/26/06/39/1046260639.db2.gz QXALDWNRSFHUGK-MDNKFWRPSA-N 2 1 385.581 3.643 20 0 GHADMP CCCC[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000378905213 1046688686 /nfs/dbraw/zinc/68/86/86/1046688686.db2.gz DVHUQYQMQSXWJY-UHFFFAOYSA-N 2 1 383.330 3.574 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3CC[NH+]3CCC(C)CC3)CC2)[nH+]c1 ZINC001302477184 1046950310 /nfs/dbraw/zinc/95/03/10/1046950310.db2.gz PVCKQDYOYBRFQJ-QFIPXVFZSA-N 2 1 398.595 3.719 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716838 1047116488 /nfs/dbraw/zinc/11/64/88/1047116488.db2.gz CXXZTDIWINTJEK-TZIWHRDSSA-N 2 1 388.939 3.582 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(O)ccc3F)C[C@H]2CC1 ZINC001279190903 1047740422 /nfs/dbraw/zinc/74/04/22/1047740422.db2.gz LAULARHDEYDUHR-IYBDPMFKSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(O)ccc3F)C[C@H]2CC1 ZINC001279190903 1047740427 /nfs/dbraw/zinc/74/04/27/1047740427.db2.gz LAULARHDEYDUHR-IYBDPMFKSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc(O)ccc3F)C[C@H]2CC1 ZINC001279190903 1047740434 /nfs/dbraw/zinc/74/04/34/1047740434.db2.gz LAULARHDEYDUHR-IYBDPMFKSA-N 2 1 375.513 3.640 20 0 GHADMP Brc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001279312347 1047763653 /nfs/dbraw/zinc/76/36/53/1047763653.db2.gz IFIDUNBCPXOUCK-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1ccnc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001279312347 1047763659 /nfs/dbraw/zinc/76/36/59/1047763659.db2.gz IFIDUNBCPXOUCK-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Cc1cccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c1Br ZINC001279362215 1047779947 /nfs/dbraw/zinc/77/99/47/1047779947.db2.gz HLADMIYENPTGCV-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279413167 1047798250 /nfs/dbraw/zinc/79/82/50/1047798250.db2.gz VOIWAMVLYBSNPD-GASCZTMLSA-N 2 1 392.897 3.868 20 0 GHADMP Cc1nn(C)c(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279413167 1047798255 /nfs/dbraw/zinc/79/82/55/1047798255.db2.gz VOIWAMVLYBSNPD-GASCZTMLSA-N 2 1 392.897 3.868 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cc1Cl ZINC001279573953 1047843822 /nfs/dbraw/zinc/84/38/22/1047843822.db2.gz LIEMJAQAJCFTOA-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)cc1Cl ZINC001279573953 1047843859 /nfs/dbraw/zinc/84/38/59/1047843859.db2.gz LIEMJAQAJCFTOA-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(N(C)C)s1)CC2 ZINC001279582761 1047855153 /nfs/dbraw/zinc/85/51/53/1047855153.db2.gz ONFVYXFZSXHPRQ-UHFFFAOYSA-N 2 1 376.595 3.677 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cnccc1Cl)CC2 ZINC001279656119 1047897881 /nfs/dbraw/zinc/89/78/81/1047897881.db2.gz PWKANWVKKWTKOP-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(O)c3F)C[C@H]2CC1 ZINC001279688567 1047916109 /nfs/dbraw/zinc/91/61/09/1047916109.db2.gz KTZYSDCXGFWDEZ-IYBDPMFKSA-N 2 1 375.513 3.640 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccc3C)CC2)C1 ZINC001279719243 1047934955 /nfs/dbraw/zinc/93/49/55/1047934955.db2.gz GLZBYTJNNOJWQI-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccc3C)CC2)C1 ZINC001279719243 1047934957 /nfs/dbraw/zinc/93/49/57/1047934957.db2.gz GLZBYTJNNOJWQI-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP C[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC(C)(C)C1 ZINC001307606779 1049446079 /nfs/dbraw/zinc/44/60/79/1049446079.db2.gz QDPOSFJXGBQIMS-XLIONFOSSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC(C)(C)C1 ZINC001307606779 1049446086 /nfs/dbraw/zinc/44/60/86/1049446086.db2.gz QDPOSFJXGBQIMS-XLIONFOSSA-N 2 1 391.987 3.961 20 0 GHADMP CCOc1ccccc1C[N@@H+]1CCN(CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001307717202 1049531344 /nfs/dbraw/zinc/53/13/44/1049531344.db2.gz XYLZNIUYGQNRPG-NRFANRHFSA-N 2 1 381.564 3.723 20 0 GHADMP CCOc1ccccc1C[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001307717202 1049531360 /nfs/dbraw/zinc/53/13/60/1049531360.db2.gz XYLZNIUYGQNRPG-NRFANRHFSA-N 2 1 381.564 3.723 20 0 GHADMP CCOc1ccccc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001307717202 1049531376 /nfs/dbraw/zinc/53/13/76/1049531376.db2.gz XYLZNIUYGQNRPG-NRFANRHFSA-N 2 1 381.564 3.723 20 0 GHADMP CCOc1ccccc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001307717202 1049531395 /nfs/dbraw/zinc/53/13/95/1049531395.db2.gz XYLZNIUYGQNRPG-NRFANRHFSA-N 2 1 381.564 3.723 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855316 1049637661 /nfs/dbraw/zinc/63/76/61/1049637661.db2.gz RLSZDIPEAQHGIH-VXKWHMMOSA-N 2 1 379.548 3.674 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1CC1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001307886238 1049667324 /nfs/dbraw/zinc/66/73/24/1049667324.db2.gz MQLXDDAIUBMLSI-QHCPKHFHSA-N 2 1 383.580 3.943 20 0 GHADMP COc1ccc(NC(=O)C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1Cl ZINC001308027088 1049777866 /nfs/dbraw/zinc/77/78/66/1049777866.db2.gz ASBBLPJKDCDYKV-UHFFFAOYSA-N 2 1 381.948 3.587 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001308197743 1049908913 /nfs/dbraw/zinc/90/89/13/1049908913.db2.gz MYYCOFCNIKQTNF-CYBMUJFWSA-N 2 1 388.313 3.770 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001308202259 1049911023 /nfs/dbraw/zinc/91/10/23/1049911023.db2.gz FHQPMXXLZMERPI-JOCHJYFZSA-N 3 1 386.628 3.963 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(OC)c1OC ZINC001308281580 1049935880 /nfs/dbraw/zinc/93/58/80/1049935880.db2.gz ADGRVJFOOBRAPC-JXFKEZNVSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(OC)c1OC ZINC001308281580 1049935882 /nfs/dbraw/zinc/93/58/82/1049935882.db2.gz ADGRVJFOOBRAPC-JXFKEZNVSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(OC)c1OC ZINC001308281581 1049936358 /nfs/dbraw/zinc/93/63/58/1049936358.db2.gz ADGRVJFOOBRAPC-OXJNMPFZSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(OC)c1OC ZINC001308281581 1049936361 /nfs/dbraw/zinc/93/63/61/1049936361.db2.gz ADGRVJFOOBRAPC-OXJNMPFZSA-N 2 1 390.549 3.947 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(C4CCCCC4)CCCCC3)cn2)CC1 ZINC001308357025 1049957356 /nfs/dbraw/zinc/95/73/56/1049957356.db2.gz DRBJITUOGJUIGA-UHFFFAOYSA-N 2 1 385.600 3.849 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001308367113 1049959474 /nfs/dbraw/zinc/95/94/74/1049959474.db2.gz RIMWTZVZFSPOQV-QGZVFWFLSA-N 2 1 382.401 3.701 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[C@H]1C ZINC001308548127 1050005034 /nfs/dbraw/zinc/00/50/34/1050005034.db2.gz MVNPTROBHHBNTD-AWJHCHFGSA-N 2 1 384.564 3.855 20 0 GHADMP CCc1cc(OC)ccc1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001308755398 1050083660 /nfs/dbraw/zinc/08/36/60/1050083660.db2.gz RLARRHYZZGJYBD-UHFFFAOYSA-N 2 1 381.564 3.507 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001308898341 1050147951 /nfs/dbraw/zinc/14/79/51/1050147951.db2.gz VCYPTKQGKWBWFD-LOCCHRAXSA-N 2 1 399.579 3.601 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC001328086713 1050388612 /nfs/dbraw/zinc/38/86/12/1050388612.db2.gz UVUYHWOKXMRYTF-QGZVFWFLSA-N 2 1 375.438 3.633 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001328695004 1050596628 /nfs/dbraw/zinc/59/66/28/1050596628.db2.gz RCOWEVWMLHWVAO-UHFFFAOYSA-N 2 1 380.536 3.844 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC001330901060 1051142489 /nfs/dbraw/zinc/14/24/89/1051142489.db2.gz GTBWTGYMEMKTSD-HSZRJFAPSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cc([C@H]([NH3+])CC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc(Cl)n1 ZINC001331435358 1051277439 /nfs/dbraw/zinc/27/74/39/1051277439.db2.gz RYEUDXIPINANTJ-MRXNPFEDSA-N 2 1 381.307 3.787 20 0 GHADMP CCN(C(=O)Nc1cc(C[NH+](C)C)ccn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311077887 1051833452 /nfs/dbraw/zinc/83/34/52/1051833452.db2.gz VZWDCNSDYUCGFY-WIYYLYMNSA-N 2 1 395.551 3.833 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001311443914 1052153137 /nfs/dbraw/zinc/15/31/37/1052153137.db2.gz HYIUTXDBJGWLIS-VQTJNVASSA-N 2 1 394.563 3.553 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC001312557378 1052789997 /nfs/dbraw/zinc/78/99/97/1052789997.db2.gz APPHPIRNGROFQA-DHIUTWEWSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC001312557378 1052790000 /nfs/dbraw/zinc/79/00/00/1052790000.db2.gz APPHPIRNGROFQA-DHIUTWEWSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC001312557378 1052790003 /nfs/dbraw/zinc/79/00/03/1052790003.db2.gz APPHPIRNGROFQA-DHIUTWEWSA-N 2 1 398.595 3.603 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001312813598 1052878767 /nfs/dbraw/zinc/87/87/67/1052878767.db2.gz IIHSXCVSMPXILT-UNMCSNQZSA-N 2 1 388.600 3.708 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001312813598 1052878768 /nfs/dbraw/zinc/87/87/68/1052878768.db2.gz IIHSXCVSMPXILT-UNMCSNQZSA-N 2 1 388.600 3.708 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001312813598 1052878770 /nfs/dbraw/zinc/87/87/70/1052878770.db2.gz IIHSXCVSMPXILT-UNMCSNQZSA-N 2 1 388.600 3.708 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001312815595 1052879431 /nfs/dbraw/zinc/87/94/31/1052879431.db2.gz MDJWFBJVRYJASU-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001312998102 1052929921 /nfs/dbraw/zinc/92/99/21/1052929921.db2.gz GEXXIWJHHJWHMU-BDTNDASRSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001312998102 1052929923 /nfs/dbraw/zinc/92/99/23/1052929923.db2.gz GEXXIWJHHJWHMU-BDTNDASRSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001312998102 1052929924 /nfs/dbraw/zinc/92/99/24/1052929924.db2.gz GEXXIWJHHJWHMU-BDTNDASRSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001313002406 1052930768 /nfs/dbraw/zinc/93/07/68/1052930768.db2.gz NRVSQELWFGWRHA-QPPBQGQZSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001313002406 1052930772 /nfs/dbraw/zinc/93/07/72/1052930772.db2.gz NRVSQELWFGWRHA-QPPBQGQZSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001313002406 1052930777 /nfs/dbraw/zinc/93/07/77/1052930777.db2.gz NRVSQELWFGWRHA-QPPBQGQZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001313178889 1052978631 /nfs/dbraw/zinc/97/86/31/1052978631.db2.gz GABCQMNJERNXNU-PSUMNZAUSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001318660023 1054779850 /nfs/dbraw/zinc/77/98/50/1054779850.db2.gz DAQDXMYJGRWKAD-TXTKFYIRSA-N 2 1 398.595 3.544 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001319613180 1055359150 /nfs/dbraw/zinc/35/91/50/1055359150.db2.gz QNRWNXOUJVXPQE-HMXCVIKNSA-N 2 1 389.584 3.832 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC001322322998 1056628796 /nfs/dbraw/zinc/62/87/96/1056628796.db2.gz JPSUVNIKTUKBSX-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001354676117 1056883073 /nfs/dbraw/zinc/88/30/73/1056883073.db2.gz QFFZBZIQHGXROW-WZYRSQIMSA-N 2 1 385.596 3.770 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[NH+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809289 1057016757 /nfs/dbraw/zinc/01/67/57/1057016757.db2.gz NBTZZMHEUJIVAG-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809289 1057016766 /nfs/dbraw/zinc/01/67/66/1057016766.db2.gz NBTZZMHEUJIVAG-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001323809289 1057016771 /nfs/dbraw/zinc/01/67/71/1057016771.db2.gz NBTZZMHEUJIVAG-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[NH+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809286 1057016860 /nfs/dbraw/zinc/01/68/60/1057016860.db2.gz NBTZZMHEUJIVAG-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809286 1057016865 /nfs/dbraw/zinc/01/68/65/1057016865.db2.gz NBTZZMHEUJIVAG-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809286 1057016874 /nfs/dbraw/zinc/01/68/74/1057016874.db2.gz NBTZZMHEUJIVAG-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP CC[NH+](CC)Cc1ccc(-c2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)o2)o1 ZINC001324098701 1057069848 /nfs/dbraw/zinc/06/98/48/1057069848.db2.gz BEYWKNKXVWMTMV-FQEVSTJZSA-N 2 1 396.491 3.745 20 0 GHADMP CC[NH+](CC)Cc1ccc(-c2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)o2)o1 ZINC001324098701 1057069852 /nfs/dbraw/zinc/06/98/52/1057069852.db2.gz BEYWKNKXVWMTMV-FQEVSTJZSA-N 2 1 396.491 3.745 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001326085013 1057411047 /nfs/dbraw/zinc/41/10/47/1057411047.db2.gz RILALXHPZYFGBB-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001326085013 1057411049 /nfs/dbraw/zinc/41/10/49/1057411049.db2.gz RILALXHPZYFGBB-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001326085013 1057411052 /nfs/dbraw/zinc/41/10/52/1057411052.db2.gz RILALXHPZYFGBB-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000849084701 1057587250 /nfs/dbraw/zinc/58/72/50/1057587250.db2.gz HOJNVKLHMXTQIX-JOCHJYFZSA-N 2 1 394.563 3.654 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000849088278 1057589019 /nfs/dbraw/zinc/58/90/19/1057589019.db2.gz CBVZLVRYECLBNM-ROUUACIJSA-N 2 1 397.592 3.514 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001443111129 1059067318 /nfs/dbraw/zinc/06/73/18/1059067318.db2.gz VYASFTLIXFXWKQ-UHFFFAOYSA-N 2 1 395.547 3.860 20 0 GHADMP C[C@@]1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001448717499 1060249126 /nfs/dbraw/zinc/24/91/26/1060249126.db2.gz HIZFIQBMIJLRDM-UPVQGACJSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@]1(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001448717499 1060249143 /nfs/dbraw/zinc/24/91/43/1060249143.db2.gz HIZFIQBMIJLRDM-UPVQGACJSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@]1(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001448717499 1060249163 /nfs/dbraw/zinc/24/91/63/1060249163.db2.gz HIZFIQBMIJLRDM-UPVQGACJSA-N 2 1 383.580 3.812 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001341133990 1060438022 /nfs/dbraw/zinc/43/80/22/1060438022.db2.gz SHCXKEWQAUKYFN-XZOQPEGZSA-N 2 1 395.522 3.599 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001341133990 1060438041 /nfs/dbraw/zinc/43/80/41/1060438041.db2.gz SHCXKEWQAUKYFN-XZOQPEGZSA-N 2 1 395.522 3.599 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001341792934 1060898561 /nfs/dbraw/zinc/89/85/61/1060898561.db2.gz YODOSWGWENCZLC-CZTZKLFOSA-N 2 1 395.547 3.502 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC001341803582 1060902581 /nfs/dbraw/zinc/90/25/81/1060902581.db2.gz ZAVNNOVJBGSZLR-UHFFFAOYSA-N 2 1 396.318 3.507 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(SCC[NH+]4CCCC4)cc3)C[N@H+]2C1 ZINC001452774507 1061009949 /nfs/dbraw/zinc/00/99/49/1061009949.db2.gz HBRQWVLVPBNGSL-GGPKGHCWSA-N 2 1 387.593 3.933 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001455115967 1062013399 /nfs/dbraw/zinc/01/33/99/1062013399.db2.gz MPBVQCIJYYETSX-QFIPXVFZSA-N 2 1 392.547 3.918 20 0 GHADMP CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001459516972 1064118015 /nfs/dbraw/zinc/11/80/15/1064118015.db2.gz LWFXYTWOWJXGRT-DEOSSOPVSA-N 2 1 379.548 3.922 20 0 GHADMP CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001459516972 1064118020 /nfs/dbraw/zinc/11/80/20/1064118020.db2.gz LWFXYTWOWJXGRT-DEOSSOPVSA-N 2 1 379.548 3.922 20 0 GHADMP CC(C)(O)C[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCOCC1 ZINC001459628573 1064149791 /nfs/dbraw/zinc/14/97/91/1064149791.db2.gz XFDQFCYNRLRVHF-UHFFFAOYSA-N 2 1 388.596 3.583 20 0 GHADMP COCC[N@@H+](C)CCCC1CCN(CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001459784328 1064215636 /nfs/dbraw/zinc/21/56/36/1064215636.db2.gz GDJMJIWBOUHCQV-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001459784328 1064215647 /nfs/dbraw/zinc/21/56/47/1064215647.db2.gz GDJMJIWBOUHCQV-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001459784328 1064215656 /nfs/dbraw/zinc/21/56/56/1064215656.db2.gz GDJMJIWBOUHCQV-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CN(c2ccccc2)CCO1 ZINC001459898893 1064262710 /nfs/dbraw/zinc/26/27/10/1064262710.db2.gz FJLSURWDZUPYDU-PEARBKPGSA-N 2 1 393.575 3.638 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H]3CCC(C)(C)C[C@H]3C)CC2)cc1 ZINC001459999548 1064331886 /nfs/dbraw/zinc/33/18/86/1064331886.db2.gz VDJXUVZNXNNQBC-IRLDBZIGSA-N 2 1 385.596 3.834 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)ccc(C4OCCO4)c3Cl)C[C@@H]2C1 ZINC001352114011 1064846065 /nfs/dbraw/zinc/84/60/65/1064846065.db2.gz XMJNVXCVEKSNKO-QLFBSQMISA-N 2 1 382.907 3.687 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccccc3CC(F)(F)F)c2)CC1 ZINC001200046746 1065068599 /nfs/dbraw/zinc/06/85/99/1065068599.db2.gz WBJIGGCOERJNRZ-UHFFFAOYSA-N 2 1 391.481 3.829 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001466963495 1066416366 /nfs/dbraw/zinc/41/63/66/1066416366.db2.gz MSCUBXCVGPTLHR-JOCHJYFZSA-N 2 1 397.538 3.627 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001466963496 1066416528 /nfs/dbraw/zinc/41/65/28/1066416528.db2.gz MSCUBXCVGPTLHR-QFIPXVFZSA-N 2 1 397.538 3.627 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001477577140 1078473827 /nfs/dbraw/zinc/47/38/27/1078473827.db2.gz XWFALCFKYKVTHV-IYWMVGAKSA-N 2 1 388.600 3.781 20 0 GHADMP CCN(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC001467631183 1067392744 /nfs/dbraw/zinc/39/27/44/1067392744.db2.gz PXLRRTNEFCKZOV-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001467674402 1067411108 /nfs/dbraw/zinc/41/11/08/1067411108.db2.gz GULOCLHZUSRHRY-OAQYLSRUSA-N 2 1 388.600 3.707 20 0 GHADMP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001467684553 1067418598 /nfs/dbraw/zinc/41/85/98/1067418598.db2.gz SBEUQOOZISKZHT-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001467684553 1067418608 /nfs/dbraw/zinc/41/86/08/1067418608.db2.gz SBEUQOOZISKZHT-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001467684553 1067418621 /nfs/dbraw/zinc/41/86/21/1067418621.db2.gz SBEUQOOZISKZHT-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001467804774 1067475904 /nfs/dbraw/zinc/47/59/04/1067475904.db2.gz NIHFJEJARMLIAD-YFNKSVMNSA-N 2 1 397.607 3.914 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001477727063 1078543824 /nfs/dbraw/zinc/54/38/24/1078543824.db2.gz RZXMVHPHQMMSAH-VQTJNVASSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)c1ccc(Cl)cc1 ZINC001467903066 1067521405 /nfs/dbraw/zinc/52/14/05/1067521405.db2.gz KUIZCZIUOVNXJY-HSALFYBXSA-N 2 1 377.960 3.856 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(Cl)cc1 ZINC001467903066 1067521407 /nfs/dbraw/zinc/52/14/07/1067521407.db2.gz KUIZCZIUOVNXJY-HSALFYBXSA-N 2 1 377.960 3.856 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1ccc(Cl)cc1 ZINC001467903066 1067521413 /nfs/dbraw/zinc/52/14/13/1067521413.db2.gz KUIZCZIUOVNXJY-HSALFYBXSA-N 2 1 377.960 3.856 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001468011337 1067563826 /nfs/dbraw/zinc/56/38/26/1067563826.db2.gz PCWUJTRIFGETLK-RTBURBONSA-N 2 1 394.629 3.941 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CCC1 ZINC001468282307 1067666726 /nfs/dbraw/zinc/66/67/26/1067666726.db2.gz MSVKTHJAPOVPEM-QFIPXVFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001468282307 1067666729 /nfs/dbraw/zinc/66/67/29/1067666729.db2.gz MSVKTHJAPOVPEM-QFIPXVFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001468282307 1067666734 /nfs/dbraw/zinc/66/67/34/1067666734.db2.gz MSVKTHJAPOVPEM-QFIPXVFZSA-N 2 1 383.580 3.954 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CC1 ZINC001468324742 1067684917 /nfs/dbraw/zinc/68/49/17/1067684917.db2.gz LQMVORDDEOFADE-UHFFFAOYSA-N 2 1 392.547 3.951 20 0 GHADMP C[C@]1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCC[N@H+]1Cc1ccccc1 ZINC000849097619 1067725779 /nfs/dbraw/zinc/72/57/79/1067725779.db2.gz BUQNBNFZIKYLTP-NZQKXSOJSA-N 2 1 378.520 3.679 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NCC2([N@H+](C)Cc3ccccc3)CCC2)c1 ZINC000849114347 1067735545 /nfs/dbraw/zinc/73/55/45/1067735545.db2.gz FCSKQRIURMMKTK-UHFFFAOYSA-N 2 1 382.508 3.695 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1 ZINC000849114347 1067735552 /nfs/dbraw/zinc/73/55/52/1067735552.db2.gz FCSKQRIURMMKTK-UHFFFAOYSA-N 2 1 382.508 3.695 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1)CC(C)C ZINC001468609920 1067789623 /nfs/dbraw/zinc/78/96/23/1067789623.db2.gz HWTNDUZXPORTTR-NHCUHLMSSA-N 2 1 380.621 3.649 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001477865138 1078600931 /nfs/dbraw/zinc/60/09/31/1078600931.db2.gz HAWXOVBIPCXREN-ITTUMRLJSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001477865138 1078600936 /nfs/dbraw/zinc/60/09/36/1078600936.db2.gz HAWXOVBIPCXREN-ITTUMRLJSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001477865138 1078600942 /nfs/dbraw/zinc/60/09/42/1078600942.db2.gz HAWXOVBIPCXREN-ITTUMRLJSA-N 2 1 386.584 3.554 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1C)C(C)C ZINC001477852099 1078594645 /nfs/dbraw/zinc/59/46/45/1078594645.db2.gz IAPBZTDEJAGEDD-IRLDBZIGSA-N 2 1 388.600 3.750 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001477865635 1078600541 /nfs/dbraw/zinc/60/05/41/1078600541.db2.gz SCTWSWZMEFMDMN-FGZHOGPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001477865635 1078600543 /nfs/dbraw/zinc/60/05/43/1078600543.db2.gz SCTWSWZMEFMDMN-FGZHOGPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001477865635 1078600547 /nfs/dbraw/zinc/60/05/47/1078600547.db2.gz SCTWSWZMEFMDMN-FGZHOGPDSA-N 2 1 386.584 3.557 20 0 GHADMP OC[C@@H]1C[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC[C@H]1C(F)(F)F ZINC001460085409 1068770919 /nfs/dbraw/zinc/77/09/19/1068770919.db2.gz PWVGTVBKJQDPJA-LEWJYISDSA-N 2 1 398.513 3.824 20 0 GHADMP OC[C@@H]1C[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC[C@H]1C(F)(F)F ZINC001460085409 1068770929 /nfs/dbraw/zinc/77/09/29/1068770929.db2.gz PWVGTVBKJQDPJA-LEWJYISDSA-N 2 1 398.513 3.824 20 0 GHADMP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001460556000 1068994653 /nfs/dbraw/zinc/99/46/53/1068994653.db2.gz QWIPGFILMOTQKW-DQEYMECFSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001460556000 1068994656 /nfs/dbraw/zinc/99/46/56/1068994656.db2.gz QWIPGFILMOTQKW-DQEYMECFSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001460556000 1068994657 /nfs/dbraw/zinc/99/46/57/1068994657.db2.gz QWIPGFILMOTQKW-DQEYMECFSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001460556000 1068994664 /nfs/dbraw/zinc/99/46/64/1068994664.db2.gz QWIPGFILMOTQKW-DQEYMECFSA-N 2 1 393.575 3.893 20 0 GHADMP COc1cccc([C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)c1 ZINC001460668166 1069071794 /nfs/dbraw/zinc/07/17/94/1069071794.db2.gz RXZPFQABGKZFJI-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP COc1cccc([C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)c1 ZINC001460668166 1069071798 /nfs/dbraw/zinc/07/17/98/1069071798.db2.gz RXZPFQABGKZFJI-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC001460693651 1069091250 /nfs/dbraw/zinc/09/12/50/1069091250.db2.gz RZGFOKZZARWAQA-NQIIRXRSSA-N 2 1 375.532 3.686 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CCC)CC[N@H+]1Cc1ccccc1 ZINC001470406598 1072534161 /nfs/dbraw/zinc/53/41/61/1072534161.db2.gz OITJYJNDAPDINN-RBBKRZOGSA-N 2 1 388.600 3.803 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001470823859 1072756290 /nfs/dbraw/zinc/75/62/90/1072756290.db2.gz NTOBPMHBFQFLPW-HXUWFJFHSA-N 2 1 392.632 3.935 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001470830746 1072761101 /nfs/dbraw/zinc/76/11/01/1072761101.db2.gz JFQBJRIOYYMVSZ-PKTZIBPZSA-N 2 1 377.532 3.523 20 0 GHADMP Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC001470830746 1072761105 /nfs/dbraw/zinc/76/11/05/1072761105.db2.gz JFQBJRIOYYMVSZ-PKTZIBPZSA-N 2 1 377.532 3.523 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001471062657 1072909906 /nfs/dbraw/zinc/90/99/06/1072909906.db2.gz CRFQOQLMPFVKRK-DHIUTWEWSA-N 2 1 379.548 3.850 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001471062657 1072909910 /nfs/dbraw/zinc/90/99/10/1072909910.db2.gz CRFQOQLMPFVKRK-DHIUTWEWSA-N 2 1 379.548 3.850 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC001471104490 1072924328 /nfs/dbraw/zinc/92/43/28/1072924328.db2.gz XEXFXZWCCUZUTH-JOCHJYFZSA-N 2 1 386.584 3.605 20 0 GHADMP C[NH+](CCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC001471104490 1072924329 /nfs/dbraw/zinc/92/43/29/1072924329.db2.gz XEXFXZWCCUZUTH-JOCHJYFZSA-N 2 1 386.584 3.605 20 0 GHADMP C[NH+](CCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC001471104490 1072924332 /nfs/dbraw/zinc/92/43/32/1072924332.db2.gz XEXFXZWCCUZUTH-JOCHJYFZSA-N 2 1 386.584 3.605 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC001478831081 1078998201 /nfs/dbraw/zinc/99/82/01/1078998201.db2.gz BQOMEAVUSOLUQW-LJQANCHMSA-N 2 1 380.621 3.650 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC001471805017 1073222732 /nfs/dbraw/zinc/22/27/32/1073222732.db2.gz LHWFPNMWPILPCE-GOSISDBHSA-N 2 1 381.442 3.867 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC001471805017 1073222738 /nfs/dbraw/zinc/22/27/38/1073222738.db2.gz LHWFPNMWPILPCE-GOSISDBHSA-N 2 1 381.442 3.867 20 0 GHADMP CC(C)(C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCC1 ZINC001472318619 1073418743 /nfs/dbraw/zinc/41/87/43/1073418743.db2.gz SVDPCOOXYDSRDD-FSSWDIPSSA-N 2 1 383.580 3.668 20 0 GHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC001472468971 1073502140 /nfs/dbraw/zinc/50/21/40/1073502140.db2.gz HHZSZFWISBSZCU-OAQYLSRUSA-N 2 1 375.557 3.505 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001479142718 1079121401 /nfs/dbraw/zinc/12/14/01/1079121401.db2.gz KLPGJSORICDEBZ-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001479142718 1079121404 /nfs/dbraw/zinc/12/14/04/1079121404.db2.gz KLPGJSORICDEBZ-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001479142718 1079121409 /nfs/dbraw/zinc/12/14/09/1079121409.db2.gz KLPGJSORICDEBZ-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC[NH+]1Cc1ccccc1 ZINC001479142718 1079121413 /nfs/dbraw/zinc/12/14/13/1079121413.db2.gz KLPGJSORICDEBZ-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC[NH+]1Cc1ccccc1 ZINC001479142718 1079121414 /nfs/dbraw/zinc/12/14/14/1079121414.db2.gz KLPGJSORICDEBZ-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(c3cc[nH+]cc3C(F)(F)F)C2)O1 ZINC001472861850 1073699801 /nfs/dbraw/zinc/69/98/01/1073699801.db2.gz DQJZZBDGBBFCRN-OXJNMPFZSA-N 2 1 391.437 3.970 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145181 1073807043 /nfs/dbraw/zinc/80/70/43/1073807043.db2.gz DWIZLLRBRZDAFR-UPVQGACJSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145181 1073807048 /nfs/dbraw/zinc/80/70/48/1073807048.db2.gz DWIZLLRBRZDAFR-UPVQGACJSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145181 1073807054 /nfs/dbraw/zinc/80/70/54/1073807054.db2.gz DWIZLLRBRZDAFR-UPVQGACJSA-N 2 1 393.575 3.880 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC3(CCOCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC001473205474 1073858456 /nfs/dbraw/zinc/85/84/56/1073858456.db2.gz HZJOFRGMBGNBEU-AKIFATBCSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCC3(CCOCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC001473205474 1073858465 /nfs/dbraw/zinc/85/84/65/1073858465.db2.gz HZJOFRGMBGNBEU-AKIFATBCSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC3(CCOCC3)CO2)CC[NH+]1Cc1ccccc1 ZINC001473205474 1073858481 /nfs/dbraw/zinc/85/84/81/1073858481.db2.gz HZJOFRGMBGNBEU-AKIFATBCSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC3(CCOCC3)CO2)CC[NH+]1Cc1ccccc1 ZINC001473205474 1073858492 /nfs/dbraw/zinc/85/84/92/1073858492.db2.gz HZJOFRGMBGNBEU-AKIFATBCSA-N 2 1 386.580 3.947 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440867 1073964104 /nfs/dbraw/zinc/96/41/04/1073964104.db2.gz ZIEXOQWXYPPUMQ-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440867 1073964105 /nfs/dbraw/zinc/96/41/05/1073964105.db2.gz ZIEXOQWXYPPUMQ-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473440867 1073964106 /nfs/dbraw/zinc/96/41/06/1073964106.db2.gz ZIEXOQWXYPPUMQ-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP Brc1ccc2oc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC001473586572 1074033514 /nfs/dbraw/zinc/03/35/14/1074033514.db2.gz QQXILBPNWMKFEM-UHFFFAOYSA-N 2 1 387.281 3.698 20 0 GHADMP Brc1ccc2oc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC001473586572 1074033521 /nfs/dbraw/zinc/03/35/21/1074033521.db2.gz QQXILBPNWMKFEM-UHFFFAOYSA-N 2 1 387.281 3.698 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001479516745 1079222392 /nfs/dbraw/zinc/22/23/92/1079222392.db2.gz YTKBENMLLREJSG-XWUOBKMESA-N 2 1 388.600 3.656 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)c2cccs2)CC1 ZINC001473914469 1074201688 /nfs/dbraw/zinc/20/16/88/1074201688.db2.gz YONXAVMVGYFEQX-HXUWFJFHSA-N 2 1 399.604 3.930 20 0 GHADMP CCC(CC)[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+](C)C ZINC001473926146 1074206313 /nfs/dbraw/zinc/20/63/13/1074206313.db2.gz SGMJIDPCWCKYEK-GJZGRUSLSA-N 2 1 383.499 3.788 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccc(F)c(F)c3)cc2)CC1 ZINC001473936442 1074211454 /nfs/dbraw/zinc/21/14/54/1074211454.db2.gz UXHVYVPTBYZRHF-ARJAWSKDSA-N 2 1 385.502 3.905 20 0 GHADMP COc1cccc2c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cccc12 ZINC001474020939 1074238144 /nfs/dbraw/zinc/23/81/44/1074238144.db2.gz SENXRBJMLYZPKI-XUZZJYLKSA-N 2 1 390.527 3.821 20 0 GHADMP COc1cccc2c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cccc12 ZINC001474020939 1074238149 /nfs/dbraw/zinc/23/81/49/1074238149.db2.gz SENXRBJMLYZPKI-XUZZJYLKSA-N 2 1 390.527 3.821 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC001474084799 1074259156 /nfs/dbraw/zinc/25/91/56/1074259156.db2.gz UCHXPXJUEWCQKG-ZTCOLXNVSA-N 2 1 386.580 3.718 20 0 GHADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H](C4CCOCC4)C3)C2)cc1 ZINC001474112594 1074267334 /nfs/dbraw/zinc/26/73/34/1074267334.db2.gz LNMJDPCDQBAWSW-RBZQAINGSA-N 2 1 386.580 3.853 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H](C4CCOCC4)C3)C2)cc1 ZINC001474112594 1074267342 /nfs/dbraw/zinc/26/73/42/1074267342.db2.gz LNMJDPCDQBAWSW-RBZQAINGSA-N 2 1 386.580 3.853 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474173869 1074284145 /nfs/dbraw/zinc/28/41/45/1074284145.db2.gz CGVOWFMIUKOPER-SFHVURJKSA-N 2 1 387.568 3.801 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474348112 1074355905 /nfs/dbraw/zinc/35/59/05/1074355905.db2.gz DMIAYSMCABUHRN-IBGZPJMESA-N 2 1 387.568 3.753 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474348112 1074355911 /nfs/dbraw/zinc/35/59/11/1074355911.db2.gz DMIAYSMCABUHRN-IBGZPJMESA-N 2 1 387.568 3.753 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474348112 1074355917 /nfs/dbraw/zinc/35/59/17/1074355917.db2.gz DMIAYSMCABUHRN-IBGZPJMESA-N 2 1 387.568 3.753 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474348112 1074355922 /nfs/dbraw/zinc/35/59/22/1074355922.db2.gz DMIAYSMCABUHRN-IBGZPJMESA-N 2 1 387.568 3.753 20 0 GHADMP CCOc1ccc(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001474515679 1074443477 /nfs/dbraw/zinc/44/34/77/1074443477.db2.gz YFKRVKITBPVTQJ-DEOSSOPVSA-N 2 1 393.575 3.786 20 0 GHADMP CCOc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001474515679 1074443484 /nfs/dbraw/zinc/44/34/84/1074443484.db2.gz YFKRVKITBPVTQJ-DEOSSOPVSA-N 2 1 393.575 3.786 20 0 GHADMP CCOc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)c1 ZINC001474515679 1074443490 /nfs/dbraw/zinc/44/34/90/1074443490.db2.gz YFKRVKITBPVTQJ-DEOSSOPVSA-N 2 1 393.575 3.786 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001476124581 1075088948 /nfs/dbraw/zinc/08/89/48/1075088948.db2.gz OQXKZZNFSBTBMH-RTWAWAEBSA-N 2 1 388.556 3.546 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC001476294240 1075118388 /nfs/dbraw/zinc/11/83/88/1075118388.db2.gz OHUIBZRJDDPHCT-WOJBJXKFSA-N 2 1 386.584 3.907 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC[N@H+](C)[C@@H](C)CC ZINC001495587000 1079419240 /nfs/dbraw/zinc/41/92/40/1079419240.db2.gz FRMZUNQRXAWUCJ-SLFFLAALSA-N 2 1 390.620 3.587 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H]([NH2+]Cc1cnc(-c3ccccc3F)s1)C2 ZINC001550422445 1126206281 /nfs/dbraw/zinc/20/62/81/1126206281.db2.gz WHYAVQXYYWHMHH-IWFBPKFRSA-N 2 1 389.540 3.519 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)c2)CC1 ZINC000820723225 607479118 /nfs/dbraw/zinc/47/91/18/607479118.db2.gz XSRYJPODDFRMSH-UHFFFAOYSA-N 2 1 394.498 3.528 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)C1 ZINC000820648635 606210937 /nfs/dbraw/zinc/21/09/37/606210937.db2.gz DMMYNJLZJFYHRE-IYBDPMFKSA-N 2 1 396.564 3.696 20 0 GHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764203 608208102 /nfs/dbraw/zinc/20/81/02/608208102.db2.gz UIJZMUJAFJNUFW-QGZVFWFLSA-N 2 1 391.523 3.561 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]c(C)cc4ccccc43)CC2)CC1 ZINC001164617519 719029482 /nfs/dbraw/zinc/02/94/82/719029482.db2.gz NGYXCQQHCCXPPI-UHFFFAOYSA-N 2 1 381.520 3.787 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc3cccc(F)c32)c2c1CC[NH2+]C2 ZINC001164680807 719654486 /nfs/dbraw/zinc/65/44/86/719654486.db2.gz IXSUKZFOHBZQOP-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc3cccc(F)c32)c2c1CC[NH2+]C2 ZINC001164680807 719654491 /nfs/dbraw/zinc/65/44/91/719654491.db2.gz IXSUKZFOHBZQOP-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(C[NH+](C)C)CC3)c2c1C ZINC000052404226 721949064 /nfs/dbraw/zinc/94/90/64/721949064.db2.gz BPMMHUYXWBVBEQ-UHFFFAOYSA-N 2 1 387.597 3.682 20 0 GHADMP Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(N2CCCC2)[nH+]1 ZINC001164993968 722192884 /nfs/dbraw/zinc/19/28/84/722192884.db2.gz KAKHYABKRMYMNY-HSZRJFAPSA-N 2 1 395.526 3.769 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431795790 837570496 /nfs/dbraw/zinc/57/04/96/837570496.db2.gz QSCZBADENDAMAV-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655692812 837676832 /nfs/dbraw/zinc/67/68/32/837676832.db2.gz VJQDLKUTMWQBBG-TYBLODHISA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655692812 837676836 /nfs/dbraw/zinc/67/68/36/837676836.db2.gz VJQDLKUTMWQBBG-TYBLODHISA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655692812 837676842 /nfs/dbraw/zinc/67/68/42/837676842.db2.gz VJQDLKUTMWQBBG-TYBLODHISA-N 2 1 399.623 3.898 20 0 GHADMP CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655711311 837703262 /nfs/dbraw/zinc/70/32/62/837703262.db2.gz HCMWSVFSXDFCHR-WIYYLYMNSA-N 2 1 378.532 3.852 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655712149 837704213 /nfs/dbraw/zinc/70/42/13/837704213.db2.gz RAZLQTUSBLTBDM-MSOLQXFVSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655712149 837704231 /nfs/dbraw/zinc/70/42/31/837704231.db2.gz RAZLQTUSBLTBDM-MSOLQXFVSA-N 2 1 389.341 3.660 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1cccc(Br)c1 ZINC000655723930 837733312 /nfs/dbraw/zinc/73/33/12/837733312.db2.gz JKDHTXHODQVQRO-UZLBHIALSA-N 2 1 395.385 3.861 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1cccc(Br)c1 ZINC000655723927 837733600 /nfs/dbraw/zinc/73/36/00/837733600.db2.gz JKDHTXHODQVQRO-JXFKEZNVSA-N 2 1 395.385 3.861 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Sc1ccc(Br)cc1 ZINC000655727056 837746156 /nfs/dbraw/zinc/74/61/56/837746156.db2.gz IKCYAQLSBYFASB-YOEHRIQHSA-N 2 1 399.398 3.773 20 0 GHADMP Clc1ccc2sc(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)nc2c1 ZINC000655731436 837767249 /nfs/dbraw/zinc/76/72/49/837767249.db2.gz RNTDWOPDEVNCFR-INIZCTEOSA-N 2 1 379.957 3.725 20 0 GHADMP Cc1ccc2nc(CSCC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)cn2c1 ZINC000046990097 834424391 /nfs/dbraw/zinc/42/43/91/834424391.db2.gz AWAXWFUNFWVHGJ-GOSISDBHSA-N 2 1 388.581 3.647 20 0 GHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655736961 837780085 /nfs/dbraw/zinc/78/00/85/837780085.db2.gz ITNIFDHPMUWUEP-RDTXWAMCSA-N 2 1 399.348 3.752 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3Cl)C2)C1 ZINC000650708401 834552344 /nfs/dbraw/zinc/55/23/44/834552344.db2.gz ZCPGGFWXEJMICF-XGWLTEMNSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Br)C2)C1 ZINC000650708467 834565968 /nfs/dbraw/zinc/56/59/68/834565968.db2.gz ZYSVWUPCGXINFQ-UNEWFSDZSA-N 2 1 387.749 3.821 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1OC(F)F ZINC000650722380 834689732 /nfs/dbraw/zinc/68/97/32/834689732.db2.gz RFDAFSMOAHARGT-NUJGCVRESA-N 2 1 384.467 3.548 20 0 GHADMP C[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1cccc(Br)c1 ZINC000650723811 834705928 /nfs/dbraw/zinc/70/59/28/834705928.db2.gz UGZFHKABAUAEIG-FDPIWHGQSA-N 2 1 381.358 3.913 20 0 GHADMP CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000657878544 834881387 /nfs/dbraw/zinc/88/13/87/834881387.db2.gz WFLQDAPDAYTFKY-PMACEKPBSA-N 2 1 387.612 3.909 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CCCC1)c1ccccc1 ZINC000511264916 834902619 /nfs/dbraw/zinc/90/26/19/834902619.db2.gz IKFXXZGFYAYYFF-RBUKOAKNSA-N 2 1 384.568 3.600 20 0 GHADMP Cc1csc2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cc(=O)n12 ZINC000151115524 834927989 /nfs/dbraw/zinc/92/79/89/834927989.db2.gz UJHXFLKXYJRDJO-MRXNPFEDSA-N 2 1 388.581 3.541 20 0 GHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(C)c1OC(F)F ZINC000685457791 835022685 /nfs/dbraw/zinc/02/26/85/835022685.db2.gz NUSFUNVWGFWIAC-IBGZPJMESA-N 2 1 381.511 3.505 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000685464200 835030965 /nfs/dbraw/zinc/03/09/65/835030965.db2.gz DOZHENLWMYJOBC-LEWJYISDSA-N 2 1 385.596 3.856 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)c2)CCO1 ZINC000685613948 835222042 /nfs/dbraw/zinc/22/20/42/835222042.db2.gz BLXRCGQDBYGRIX-HNNXBMFYSA-N 2 1 394.437 3.922 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)c2)CCO1 ZINC000685613948 835222053 /nfs/dbraw/zinc/22/20/53/835222053.db2.gz BLXRCGQDBYGRIX-HNNXBMFYSA-N 2 1 394.437 3.922 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000536164688 835263981 /nfs/dbraw/zinc/26/39/81/835263981.db2.gz UUXRNQKMWGSGDJ-YOEHRIQHSA-N 2 1 396.441 3.915 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000685651264 835265290 /nfs/dbraw/zinc/26/52/90/835265290.db2.gz TVMVLXXSFVFMGI-KRWDZBQOSA-N 2 1 377.492 3.888 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1 ZINC000655155079 835303474 /nfs/dbraw/zinc/30/34/74/835303474.db2.gz CBBQOJDCAQCDPI-UHFFFAOYSA-N 2 1 386.565 3.656 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309753387 835349711 /nfs/dbraw/zinc/34/97/11/835349711.db2.gz WLWJNTIIBMHRRD-QHAWAJNXSA-N 2 1 387.568 3.792 20 0 GHADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000375596444 835397368 /nfs/dbraw/zinc/39/73/68/835397368.db2.gz IBIONALBIVDUAU-HLIPFELVSA-N 2 1 383.502 3.767 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000658074091 835399482 /nfs/dbraw/zinc/39/94/82/835399482.db2.gz RKBYXMMHOTVQEL-ISJGIBHGSA-N 2 1 391.559 3.713 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OC ZINC000658141264 835452917 /nfs/dbraw/zinc/45/29/17/835452917.db2.gz WIGAIULJOOGCGU-HMFYCAOWSA-N 2 1 398.547 3.552 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCS2 ZINC000658142578 835453834 /nfs/dbraw/zinc/45/38/34/835453834.db2.gz YOYWOPNNEPNSAY-KNQAVFIVSA-N 2 1 398.572 3.979 20 0 GHADMP COCCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658138015 835461360 /nfs/dbraw/zinc/46/13/60/835461360.db2.gz LTJMDHSSQVOFTE-XZOQPEGZSA-N 2 1 386.511 3.650 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)C1 ZINC000658137445 835463056 /nfs/dbraw/zinc/46/30/56/835463056.db2.gz KVSCVKIQZUTZIM-HUVFLSCGSA-N 2 1 398.522 3.650 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139201 835466669 /nfs/dbraw/zinc/46/66/69/835466669.db2.gz PJPAVJLWAMDAJT-GUYCJALGSA-N 2 1 395.366 3.928 20 0 GHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658140729 835467160 /nfs/dbraw/zinc/46/71/60/835467160.db2.gz QUYWMRLIFINCLD-GMAHTHKFSA-N 2 1 380.532 3.874 20 0 GHADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658166125 835482334 /nfs/dbraw/zinc/48/23/34/835482334.db2.gz MTAQLHLMVXDDJO-OFVILXPXSA-N 3 1 392.591 3.794 20 0 GHADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658166125 835482341 /nfs/dbraw/zinc/48/23/41/835482341.db2.gz MTAQLHLMVXDDJO-OFVILXPXSA-N 2 1 392.591 3.794 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433372473 844058531 /nfs/dbraw/zinc/05/85/31/844058531.db2.gz DSQOTTSJAQNKCP-OKHDYOJBSA-N 2 1 393.575 3.952 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1 ZINC000658207423 835509590 /nfs/dbraw/zinc/50/95/90/835509590.db2.gz PWYDKSUDFGCPTN-MRXNPFEDSA-N 2 1 375.538 3.579 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000179411625 835554889 /nfs/dbraw/zinc/55/48/89/835554889.db2.gz NRZRMUIFUINTNA-UHFFFAOYSA-N 2 1 383.330 3.527 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000179411625 835554895 /nfs/dbraw/zinc/55/48/95/835554895.db2.gz NRZRMUIFUINTNA-UHFFFAOYSA-N 2 1 383.330 3.527 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000584219815 835779391 /nfs/dbraw/zinc/77/93/91/835779391.db2.gz JUFCCWPJWILGAB-FQEVSTJZSA-N 2 1 394.401 3.834 20 0 GHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)NCC1CCCCC1 ZINC000569770225 836049636 /nfs/dbraw/zinc/04/96/36/836049636.db2.gz IUPJATZWVNQVKK-PKTZIBPZSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)NCC1CCCCC1 ZINC000569770225 836049646 /nfs/dbraw/zinc/04/96/46/836049646.db2.gz IUPJATZWVNQVKK-PKTZIBPZSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)NCC1CCCCC1 ZINC000569770225 836049655 /nfs/dbraw/zinc/04/96/55/836049655.db2.gz IUPJATZWVNQVKK-PKTZIBPZSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@H](NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375787 836230859 /nfs/dbraw/zinc/23/08/59/836230859.db2.gz DHFAHCIDUBXFIR-RRPUWOKSSA-N 2 1 383.580 3.635 20 0 GHADMP C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483517 844154921 /nfs/dbraw/zinc/15/49/21/844154921.db2.gz BSENCGMYQNBULP-IRLDBZIGSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@@H](NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483517 844154925 /nfs/dbraw/zinc/15/49/25/844154925.db2.gz BSENCGMYQNBULP-IRLDBZIGSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@@H](NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483517 844154931 /nfs/dbraw/zinc/15/49/31/844154931.db2.gz BSENCGMYQNBULP-IRLDBZIGSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NCc1cccs1 ZINC000174155599 836388045 /nfs/dbraw/zinc/38/80/45/836388045.db2.gz HQWKRNCPPPPRKD-KRWDZBQOSA-N 2 1 397.544 3.768 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414180991 836415210 /nfs/dbraw/zinc/41/52/10/836415210.db2.gz MGKYJCFHRGZGNB-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892584314 836771764 /nfs/dbraw/zinc/77/17/64/836771764.db2.gz IZUAAICEEOPHCF-INIZCTEOSA-N 2 1 379.549 3.511 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000510214509 836789910 /nfs/dbraw/zinc/78/99/10/836789910.db2.gz YSTDRKUCRJYDBH-HXUWFJFHSA-N 2 1 378.476 3.731 20 0 GHADMP CC[C@H]1CCC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431684501 836795260 /nfs/dbraw/zinc/79/52/60/836795260.db2.gz FZVUPKPNRYLRQG-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)CC3 ZINC000180880018 844213751 /nfs/dbraw/zinc/21/37/51/844213751.db2.gz HFHQRXJGOSXPPY-IBGZPJMESA-N 2 1 381.564 3.958 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000511394149 836927499 /nfs/dbraw/zinc/92/74/99/836927499.db2.gz BECRSWVLEUZEEV-COPCDDAFSA-N 2 1 394.003 3.956 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119900700 836967353 /nfs/dbraw/zinc/96/73/53/836967353.db2.gz VDQFYRKUYZTFNH-ZNEHSRBWSA-N 2 1 390.881 3.651 20 0 GHADMP Clc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc2c1OCCO2 ZINC000237818324 837360221 /nfs/dbraw/zinc/36/02/21/837360221.db2.gz YHYCCLNDZWBCRF-UHFFFAOYSA-N 2 1 386.923 3.908 20 0 GHADMP FC(F)(F)Oc1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c1 ZINC000655821236 837981115 /nfs/dbraw/zinc/98/11/15/837981115.db2.gz UXAPTANLDLKFIR-GOSISDBHSA-N 2 1 398.469 3.850 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C(F)(F)F ZINC000893085519 838004160 /nfs/dbraw/zinc/00/41/60/838004160.db2.gz FVTIRGRTRRKGGJ-ZUBGHJNLSA-N 2 1 376.463 3.502 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C(F)(F)F ZINC000893085519 838004171 /nfs/dbraw/zinc/00/41/71/838004171.db2.gz FVTIRGRTRRKGGJ-ZUBGHJNLSA-N 2 1 376.463 3.502 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431852346 838022683 /nfs/dbraw/zinc/02/26/83/838022683.db2.gz WNQRTMDUWWBHIE-KJXAQDMKSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000431852346 838022692 /nfs/dbraw/zinc/02/26/92/838022692.db2.gz WNQRTMDUWWBHIE-KJXAQDMKSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000431852346 838022702 /nfs/dbraw/zinc/02/27/02/838022702.db2.gz WNQRTMDUWWBHIE-KJXAQDMKSA-N 2 1 383.580 3.953 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OCc1cccnc1 ZINC000377840479 838043847 /nfs/dbraw/zinc/04/38/47/838043847.db2.gz SHAVJBKLAQYEDW-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OCc1cccnc1 ZINC000377840479 838043859 /nfs/dbraw/zinc/04/38/59/838043859.db2.gz SHAVJBKLAQYEDW-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OCc1cccnc1 ZINC000377840479 838043870 /nfs/dbraw/zinc/04/38/70/838043870.db2.gz SHAVJBKLAQYEDW-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCCC1)C2 ZINC000377942028 838182750 /nfs/dbraw/zinc/18/27/50/838182750.db2.gz LUECKMGWUOVUPU-YLJYHZDGSA-N 2 1 380.536 3.534 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659284686 838208136 /nfs/dbraw/zinc/20/81/36/838208136.db2.gz LZZWPDDLHWKCLI-ZCYQVOJMSA-N 2 1 389.543 3.736 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000659285318 838210122 /nfs/dbraw/zinc/21/01/22/838210122.db2.gz TXPCAVXLQRQIRC-VYTWWXLVSA-N 2 1 375.516 3.533 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C(C)(C)C)C[C@@H]3C)CC2)CC1 ZINC000579976659 838240182 /nfs/dbraw/zinc/24/01/82/838240182.db2.gz NPLBCAAJPOPPEQ-AZUAARDMSA-N 2 1 377.617 3.856 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415900457 838246843 /nfs/dbraw/zinc/24/68/43/838246843.db2.gz AJQFNWPFLGLIJE-XMSQKQJNSA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000415909303 838255194 /nfs/dbraw/zinc/25/51/94/838255194.db2.gz FPLGABGEDUDTKV-DEOSSOPVSA-N 2 1 392.547 3.926 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000415915869 838264257 /nfs/dbraw/zinc/26/42/57/838264257.db2.gz ALWPITYRVONYDN-GMAHTHKFSA-N 2 1 392.547 3.924 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000659318048 838277470 /nfs/dbraw/zinc/27/74/70/838277470.db2.gz YISBBNCPKZFDQC-HSZRJFAPSA-N 2 1 389.543 3.736 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415963891 838322642 /nfs/dbraw/zinc/32/26/42/838322642.db2.gz WLAXYGOENCGCCU-IRXDYDNUSA-N 2 1 388.531 3.590 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C2)C1 ZINC000458089243 844315795 /nfs/dbraw/zinc/31/57/95/844315795.db2.gz DMUWZYVHEGVFHC-DEOSSOPVSA-N 2 1 398.595 3.690 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000415973079 838331482 /nfs/dbraw/zinc/33/14/82/838331482.db2.gz PZYYYVFIVZWQAM-MSOLQXFVSA-N 2 1 392.425 3.731 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000415977382 838342713 /nfs/dbraw/zinc/34/27/13/838342713.db2.gz XUFHEZSLBKYZNF-UHFFFAOYSA-N 2 1 392.503 3.953 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000415977382 838342719 /nfs/dbraw/zinc/34/27/19/838342719.db2.gz XUFHEZSLBKYZNF-UHFFFAOYSA-N 2 1 392.503 3.953 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000511536352 838344167 /nfs/dbraw/zinc/34/41/67/838344167.db2.gz JPGJDWBPXNOUJR-UHFFFAOYSA-N 2 1 382.339 3.738 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@H](c1ccccc1)[NH+](C)C ZINC000613591814 838540281 /nfs/dbraw/zinc/54/02/81/838540281.db2.gz CKPOHFXCIBGXMI-QMHKHESXSA-N 2 1 390.531 3.577 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@H](c1ccccc1)[NH+](C)C ZINC000613591814 838540288 /nfs/dbraw/zinc/54/02/88/838540288.db2.gz CKPOHFXCIBGXMI-QMHKHESXSA-N 2 1 390.531 3.577 20 0 GHADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376683149 838623249 /nfs/dbraw/zinc/62/32/49/838623249.db2.gz WUSOSTFKXISPMX-NAQMCUANSA-N 2 1 380.536 3.518 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655471836 838901840 /nfs/dbraw/zinc/90/18/40/838901840.db2.gz YWAHQQXZKDYRAG-XJRBWHPUSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655471836 838901855 /nfs/dbraw/zinc/90/18/55/838901855.db2.gz YWAHQQXZKDYRAG-XJRBWHPUSA-N 2 1 393.934 3.509 20 0 GHADMP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(C)(C)C[NH+](C)C ZINC000511546046 839058271 /nfs/dbraw/zinc/05/82/71/839058271.db2.gz FAZONGHIJQPSSU-UYAOXDASSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052329 839121518 /nfs/dbraw/zinc/12/15/18/839121518.db2.gz KPSKYXDZAOYQDQ-BRLSKQCNSA-N 2 1 385.596 3.916 20 0 GHADMP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000415045119 839123883 /nfs/dbraw/zinc/12/38/83/839123883.db2.gz VYBKNYHFDRNHLR-YRWFTTLQSA-N 2 1 392.421 3.600 20 0 GHADMP CC(C)c1nc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000377266426 839209431 /nfs/dbraw/zinc/20/94/31/839209431.db2.gz KCEKNPSGENYPEK-UHFFFAOYSA-N 2 1 378.630 3.895 20 0 GHADMP CC(C)c1nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000377266426 839209440 /nfs/dbraw/zinc/20/94/40/839209440.db2.gz KCEKNPSGENYPEK-UHFFFAOYSA-N 2 1 378.630 3.895 20 0 GHADMP [NH3+]C1(CNCc2cnc(C3CCCC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415126470 839233384 /nfs/dbraw/zinc/23/33/84/839233384.db2.gz GUDYULBRHMARJG-UHFFFAOYSA-N 2 1 384.593 3.884 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000580478052 839638813 /nfs/dbraw/zinc/63/88/13/839638813.db2.gz MMPWQXDOQFFIST-LJQANCHMSA-N 2 1 376.541 3.813 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893018000 839943023 /nfs/dbraw/zinc/94/30/23/839943023.db2.gz AVKSBRWWNUDESN-NHCUHLMSSA-N 2 1 388.483 3.635 20 0 GHADMP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCCC(C)C ZINC000535805154 844501712 /nfs/dbraw/zinc/50/17/12/844501712.db2.gz LEAQNCGCUAQDLL-RZUBCFFCSA-N 2 1 390.568 3.804 20 0 GHADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCCC(C)C ZINC000535805154 844501736 /nfs/dbraw/zinc/50/17/36/844501736.db2.gz LEAQNCGCUAQDLL-RZUBCFFCSA-N 2 1 390.568 3.804 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759849972 840187016 /nfs/dbraw/zinc/18/70/16/840187016.db2.gz KNNSUQSVAVSQDC-FQEVSTJZSA-N 2 1 386.939 3.583 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418480361 840296933 /nfs/dbraw/zinc/29/69/33/840296933.db2.gz CGHLEHNXHIHNTO-AVRDEDQJSA-N 2 1 380.536 3.512 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511661416 840360953 /nfs/dbraw/zinc/36/09/53/840360953.db2.gz DFSYQYVJGFCUFM-NHCUHLMSSA-N 2 1 397.588 3.913 20 0 GHADMP CC[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000417009080 840364428 /nfs/dbraw/zinc/36/44/28/840364428.db2.gz JWURGYAMEXBNBF-GOTSBHOMSA-N 2 1 394.563 3.603 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000195201248 840426390 /nfs/dbraw/zinc/42/63/90/840426390.db2.gz LUMSZYSAYJQLFP-JOCHJYFZSA-N 2 1 375.557 3.875 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581250325 840942035 /nfs/dbraw/zinc/94/20/35/840942035.db2.gz DCFROPRMCHSMKO-HSZRJFAPSA-N 3 1 393.575 3.914 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581250325 840942045 /nfs/dbraw/zinc/94/20/45/840942045.db2.gz DCFROPRMCHSMKO-HSZRJFAPSA-N 3 1 393.575 3.914 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)C2 ZINC000660657325 841065026 /nfs/dbraw/zinc/06/50/26/841065026.db2.gz PQIWAYOVZYQLMM-VWLOTQADSA-N 2 1 391.559 3.700 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C2 ZINC000660657325 841065039 /nfs/dbraw/zinc/06/50/39/841065039.db2.gz PQIWAYOVZYQLMM-VWLOTQADSA-N 2 1 391.559 3.700 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C2 ZINC000660657325 841065051 /nfs/dbraw/zinc/06/50/51/841065051.db2.gz PQIWAYOVZYQLMM-VWLOTQADSA-N 2 1 391.559 3.700 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660676504 841089563 /nfs/dbraw/zinc/08/95/63/841089563.db2.gz RXVMKUSKTIQICT-UGKGYDQZSA-N 2 1 398.595 3.918 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000656493957 841144828 /nfs/dbraw/zinc/14/48/28/841144828.db2.gz PYXXCPMRKAWFKM-FYYLOGMGSA-N 2 1 393.575 3.914 20 0 GHADMP CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000417784253 841195262 /nfs/dbraw/zinc/19/52/62/841195262.db2.gz BYGSURGKLORNRC-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000417784253 841195269 /nfs/dbraw/zinc/19/52/69/841195269.db2.gz BYGSURGKLORNRC-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000417784253 841195276 /nfs/dbraw/zinc/19/52/76/841195276.db2.gz BYGSURGKLORNRC-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000417784253 841195285 /nfs/dbraw/zinc/19/52/85/841195285.db2.gz BYGSURGKLORNRC-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417836955 841217471 /nfs/dbraw/zinc/21/74/71/841217471.db2.gz LYUZLWWXHCDPIZ-OIBXWCBGSA-N 2 1 394.563 3.819 20 0 GHADMP C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000581487251 841534117 /nfs/dbraw/zinc/53/41/17/841534117.db2.gz BPIQWRKEZZRVQV-XZYOPWHXSA-N 2 1 379.548 3.739 20 0 GHADMP O=C(Nc1ccc2nccn2c1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000603808840 861212046 /nfs/dbraw/zinc/21/20/46/861212046.db2.gz JPDQJDSDIDNMDM-LJQANCHMSA-N 2 1 388.393 3.727 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000581579808 841714809 /nfs/dbraw/zinc/71/48/09/841714809.db2.gz QVEOLAVFNFXLLG-TYFMBNJKSA-N 2 1 380.479 3.875 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000581579808 841714815 /nfs/dbraw/zinc/71/48/15/841714815.db2.gz QVEOLAVFNFXLLG-TYFMBNJKSA-N 2 1 380.479 3.875 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418286856 841737640 /nfs/dbraw/zinc/73/76/40/841737640.db2.gz SDWXEEQQJSKWIM-OAQYLSRUSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@@H+]1C ZINC000290326819 841842679 /nfs/dbraw/zinc/84/26/79/841842679.db2.gz BECXZTVWQTXUMF-HOCLYGCPSA-N 2 1 398.378 3.804 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[N@H+]1C ZINC000290326819 841842691 /nfs/dbraw/zinc/84/26/91/841842691.db2.gz BECXZTVWQTXUMF-HOCLYGCPSA-N 2 1 398.378 3.804 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418384948 841920740 /nfs/dbraw/zinc/92/07/40/841920740.db2.gz OZGYOAFZARHDDC-COPCDDAFSA-N 2 1 386.584 3.589 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000276487012 842003807 /nfs/dbraw/zinc/00/38/07/842003807.db2.gz GZAKICAMYLHWKO-FUHWJXTLSA-N 2 1 387.549 3.505 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000276487017 842004053 /nfs/dbraw/zinc/00/40/53/842004053.db2.gz GZAKICAMYLHWKO-WMZOPIPTSA-N 2 1 387.549 3.505 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCC[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000510462436 842154852 /nfs/dbraw/zinc/15/48/52/842154852.db2.gz PPUKWZVFIXAZMA-NRFANRHFSA-N 2 1 398.551 3.546 20 0 GHADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(-c2ccccc2)cc1OC ZINC000432358234 842168257 /nfs/dbraw/zinc/16/82/57/842168257.db2.gz LGZOVPQRRUNJAC-LJQANCHMSA-N 2 1 398.547 3.961 20 0 GHADMP C[NH+](C)C[C@@H](NC1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000549623696 842228991 /nfs/dbraw/zinc/22/89/91/842228991.db2.gz DVQLCCDSDMDXSW-QGZVFWFLSA-N 2 1 377.882 3.949 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c3cccnc23)CCCO1 ZINC000432363022 842235513 /nfs/dbraw/zinc/23/55/13/842235513.db2.gz RNARUGXGBXGCTL-HNNXBMFYSA-N 2 1 392.341 3.588 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448281 842238741 /nfs/dbraw/zinc/23/87/41/842238741.db2.gz SEKFZISHBARYFL-HNAYVOBHSA-N 2 1 381.358 3.917 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000177978194 861291615 /nfs/dbraw/zinc/29/16/15/861291615.db2.gz CBCQEANYUIANDV-HNNXBMFYSA-N 2 1 379.346 3.664 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000652360945 842369253 /nfs/dbraw/zinc/36/92/53/842369253.db2.gz UOKJQXHHNVPZQT-UEVCKROQSA-N 2 1 399.579 3.713 20 0 GHADMP C[C@H]1CCC[C@H](CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000430683550 842531887 /nfs/dbraw/zinc/53/18/87/842531887.db2.gz ZXWYJFNJHNVRBZ-FPOVZHCZSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000279068543 842550870 /nfs/dbraw/zinc/55/08/70/842550870.db2.gz ZWKDWWHGOOLXAW-JENIJYKNSA-N 2 1 387.499 3.883 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)CC1 ZINC000178252339 861340334 /nfs/dbraw/zinc/34/03/34/861340334.db2.gz VKEYVDLDVLLCED-UHFFFAOYSA-N 2 1 383.536 3.892 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000512177685 842760788 /nfs/dbraw/zinc/76/07/88/842760788.db2.gz DOWHDBYEUONUES-RUZDIDTESA-N 2 1 395.591 3.898 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](CCC1CC1)CC1CC1 ZINC000662178353 842807325 /nfs/dbraw/zinc/80/73/25/842807325.db2.gz BAMKZNCXCCKPRR-IBGZPJMESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1CCc2nc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)sc2C1 ZINC000512185596 842833082 /nfs/dbraw/zinc/83/30/82/842833082.db2.gz KKMVPEUWOIDUIQ-ZACQAIPSSA-N 2 1 377.598 3.589 20 0 GHADMP C[C@@H]1CCc2nc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)sc2C1 ZINC000512185596 842833091 /nfs/dbraw/zinc/83/30/91/842833091.db2.gz KKMVPEUWOIDUIQ-ZACQAIPSSA-N 2 1 377.598 3.589 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC(F)F)c1 ZINC000512188134 842834626 /nfs/dbraw/zinc/83/46/26/842834626.db2.gz WCUVNEOKXOKMPK-IYBDPMFKSA-N 2 1 398.494 3.618 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC(F)F)c1 ZINC000512188134 842834632 /nfs/dbraw/zinc/83/46/32/842834632.db2.gz WCUVNEOKXOKMPK-IYBDPMFKSA-N 2 1 398.494 3.618 20 0 GHADMP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000474891678 861353364 /nfs/dbraw/zinc/35/33/64/861353364.db2.gz DYUOQXSXEWJZIH-SFTDATJTSA-N 2 1 387.568 3.652 20 0 GHADMP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510545526 842937336 /nfs/dbraw/zinc/93/73/36/842937336.db2.gz HDZFDCNFLGXGJJ-IYWMVGAKSA-N 2 1 392.632 3.695 20 0 GHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510545526 842937341 /nfs/dbraw/zinc/93/73/41/842937341.db2.gz HDZFDCNFLGXGJJ-IYWMVGAKSA-N 2 1 392.632 3.695 20 0 GHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510545526 842937347 /nfs/dbraw/zinc/93/73/47/842937347.db2.gz HDZFDCNFLGXGJJ-IYWMVGAKSA-N 2 1 392.632 3.695 20 0 GHADMP Cn1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000471862613 842977899 /nfs/dbraw/zinc/97/78/99/842977899.db2.gz CNGPNVFXZCAVOC-AEFFLSMTSA-N 2 1 380.458 3.611 20 0 GHADMP Cn1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000471862613 842977906 /nfs/dbraw/zinc/97/79/06/842977906.db2.gz CNGPNVFXZCAVOC-AEFFLSMTSA-N 2 1 380.458 3.611 20 0 GHADMP O=C(Nc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1)[C@H]1CCCO1 ZINC000153354265 843030242 /nfs/dbraw/zinc/03/02/42/843030242.db2.gz YNXKSFQHTGKZJG-JOCHJYFZSA-N 2 1 385.552 3.691 20 0 GHADMP COc1ccccc1-c1nc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)no1 ZINC000276765322 843031492 /nfs/dbraw/zinc/03/14/92/843031492.db2.gz GTONZJHONCJAJN-UHFFFAOYSA-N 2 1 381.480 3.520 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548389029 843053856 /nfs/dbraw/zinc/05/38/56/843053856.db2.gz ZLSHXQOYAWVLED-JOCHJYFZSA-N 2 1 386.584 3.549 20 0 GHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389029 843053866 /nfs/dbraw/zinc/05/38/66/843053866.db2.gz ZLSHXQOYAWVLED-JOCHJYFZSA-N 2 1 386.584 3.549 20 0 GHADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389029 843053877 /nfs/dbraw/zinc/05/38/77/843053877.db2.gz ZLSHXQOYAWVLED-JOCHJYFZSA-N 2 1 386.584 3.549 20 0 GHADMP COc1c(F)cccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001143523363 843076490 /nfs/dbraw/zinc/07/64/90/843076490.db2.gz JKRCSELWGWUWOT-GOSISDBHSA-N 2 1 388.483 3.683 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)no1 ZINC000662292292 843084066 /nfs/dbraw/zinc/08/40/66/843084066.db2.gz DCIGGMKHVIZHCF-CQSZACIVSA-N 2 1 378.879 3.741 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)no1 ZINC000662292292 843084070 /nfs/dbraw/zinc/08/40/70/843084070.db2.gz DCIGGMKHVIZHCF-CQSZACIVSA-N 2 1 378.879 3.741 20 0 GHADMP Brc1cc2c(cc1Br)C[N@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000662315089 843128809 /nfs/dbraw/zinc/12/88/09/843128809.db2.gz CHEPBJIWUYCAIM-NSHDSACASA-N 2 1 388.147 3.569 20 0 GHADMP Brc1cc2c(cc1Br)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000662315089 843128812 /nfs/dbraw/zinc/12/88/12/843128812.db2.gz CHEPBJIWUYCAIM-NSHDSACASA-N 2 1 388.147 3.569 20 0 GHADMP C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]1CCC[NH3+] ZINC000662315105 843129008 /nfs/dbraw/zinc/12/90/08/843129008.db2.gz QUWQVYXZFOIMNJ-CZUORRHYSA-N 2 1 393.380 3.607 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)[C@@H]1CCC[NH3+] ZINC000662315105 843129015 /nfs/dbraw/zinc/12/90/15/843129015.db2.gz QUWQVYXZFOIMNJ-CZUORRHYSA-N 2 1 393.380 3.607 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1CCC[NH3+] ZINC000662313603 843135357 /nfs/dbraw/zinc/13/53/57/843135357.db2.gz JHTMPQAGSLKZKC-CZUORRHYSA-N 2 1 393.329 3.839 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000673681633 861384166 /nfs/dbraw/zinc/38/41/66/861384166.db2.gz LBDQEBZHPQWFKO-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000673681633 861384176 /nfs/dbraw/zinc/38/41/76/861384176.db2.gz LBDQEBZHPQWFKO-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000673681633 861384190 /nfs/dbraw/zinc/38/41/90/861384190.db2.gz LBDQEBZHPQWFKO-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP c1csc(-c2nc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)[nH]n4)CC3)co2)c1 ZINC000662327661 843155696 /nfs/dbraw/zinc/15/56/96/843155696.db2.gz SSZWEETXTXUYKO-UHFFFAOYSA-N 2 1 397.548 3.973 20 0 GHADMP CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471876835 843167931 /nfs/dbraw/zinc/16/79/31/843167931.db2.gz ZHBJSAJDQLQZPL-DHIUTWEWSA-N 2 1 379.548 3.561 20 0 GHADMP O[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188604020 843202495 /nfs/dbraw/zinc/20/24/95/843202495.db2.gz UWPMHGTWBORUHE-UYAOXDASSA-N 2 1 384.486 3.767 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187005671 843278170 /nfs/dbraw/zinc/27/81/70/843278170.db2.gz XZKPFACOCDOPLN-SFHVURJKSA-N 2 1 382.499 3.678 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000178703884 861399928 /nfs/dbraw/zinc/39/99/28/861399928.db2.gz HKFULORFOKOJIE-JKSUJKDBSA-N 2 1 376.932 3.508 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C[C@H](C)O1 ZINC000512278808 843309020 /nfs/dbraw/zinc/30/90/20/843309020.db2.gz KVGSBWSVORNQDD-JAOKQIQISA-N 3 1 399.623 3.766 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C[C@H](C)O1 ZINC000512278808 843309032 /nfs/dbraw/zinc/30/90/32/843309032.db2.gz KVGSBWSVORNQDD-JAOKQIQISA-N 3 1 399.623 3.766 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[C@H](C)O1 ZINC000512278808 843309045 /nfs/dbraw/zinc/30/90/45/843309045.db2.gz KVGSBWSVORNQDD-JAOKQIQISA-N 3 1 399.623 3.766 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC000662478934 843314432 /nfs/dbraw/zinc/31/44/32/843314432.db2.gz XKOQDJRMJCIIPD-KSSFIOAISA-N 2 1 384.351 3.588 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000662484488 843322833 /nfs/dbraw/zinc/32/28/33/843322833.db2.gz LFNQLUDMYDCAMY-VGSWGCGISA-N 2 1 379.504 3.580 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc2c(c1)CCC2 ZINC000432651843 843362055 /nfs/dbraw/zinc/36/20/55/843362055.db2.gz AKLAOPCKDHLHCD-NRFANRHFSA-N 2 1 395.572 3.820 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc2c(c1)CCC2 ZINC000432651843 843362066 /nfs/dbraw/zinc/36/20/66/843362066.db2.gz AKLAOPCKDHLHCD-NRFANRHFSA-N 2 1 395.572 3.820 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000673686650 861408430 /nfs/dbraw/zinc/40/84/30/861408430.db2.gz PISZLQGMUVJCRF-CRAIPNDOSA-N 2 1 385.474 3.546 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000673686650 861408435 /nfs/dbraw/zinc/40/84/35/861408435.db2.gz PISZLQGMUVJCRF-CRAIPNDOSA-N 2 1 385.474 3.546 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512520 843374262 /nfs/dbraw/zinc/37/42/62/843374262.db2.gz RBFFIRGTKZNLMO-FOIQADDNSA-N 2 1 387.886 3.505 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662591431 843425438 /nfs/dbraw/zinc/42/54/38/843425438.db2.gz SUXKXJJNYNVIIY-RTWAWAEBSA-N 2 1 398.595 3.731 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]([NH3+])c3ccc(F)cc3F)c2)CC1 ZINC000662698695 843531735 /nfs/dbraw/zinc/53/17/35/843531735.db2.gz PSPGEHIDFVVYLI-OAQYLSRUSA-N 2 1 387.474 3.513 20 0 GHADMP C[N@H+](Cc1nc(-c2cccc(Br)c2)c[nH]1)CC1CC[NH+](C)CC1 ZINC000093088651 843642625 /nfs/dbraw/zinc/64/26/25/843642625.db2.gz NOSADMSXCBRUIV-UHFFFAOYSA-N 2 1 377.330 3.613 20 0 GHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000663464877 843660552 /nfs/dbraw/zinc/66/05/52/843660552.db2.gz GPASLHIVUFYUSK-HKUYNNGSSA-N 2 1 376.541 3.875 20 0 GHADMP CN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253915 843754133 /nfs/dbraw/zinc/75/41/33/843754133.db2.gz FPDPLAAQYBNDOW-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253915 843754139 /nfs/dbraw/zinc/75/41/39/843754139.db2.gz FPDPLAAQYBNDOW-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253915 843754143 /nfs/dbraw/zinc/75/41/43/843754143.db2.gz FPDPLAAQYBNDOW-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000433203922 843828496 /nfs/dbraw/zinc/82/84/96/843828496.db2.gz ZPXFKVVRMQVCEG-UHFFFAOYSA-N 2 1 397.538 3.655 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(F)c(C)c2)CC1 ZINC000433203922 843828502 /nfs/dbraw/zinc/82/85/02/843828502.db2.gz ZPXFKVVRMQVCEG-UHFFFAOYSA-N 2 1 397.538 3.655 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433074561 845183783 /nfs/dbraw/zinc/18/37/83/845183783.db2.gz INXFRRFGDXDBIF-OAQYLSRUSA-N 2 1 391.559 3.852 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000047883704 845442196 /nfs/dbraw/zinc/44/21/96/845442196.db2.gz ZJSRKUIXDBZBIX-LJQANCHMSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000047883902 845444233 /nfs/dbraw/zinc/44/42/33/845444233.db2.gz XOFRVFVRFMMMFM-LJQANCHMSA-N 2 1 386.584 3.591 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433132373 845465185 /nfs/dbraw/zinc/46/51/85/845465185.db2.gz XENAINWZLTZATA-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000513461828 845482901 /nfs/dbraw/zinc/48/29/01/845482901.db2.gz QJUHFGTWEADGCG-DENIHFKCSA-N 2 1 390.591 3.520 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134274 845510571 /nfs/dbraw/zinc/51/05/71/845510571.db2.gz QCONVQAPPDQBDW-HXUWFJFHSA-N 2 1 381.568 3.562 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134274 845510579 /nfs/dbraw/zinc/51/05/79/845510579.db2.gz QCONVQAPPDQBDW-HXUWFJFHSA-N 2 1 381.568 3.562 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134274 845510585 /nfs/dbraw/zinc/51/05/85/845510585.db2.gz QCONVQAPPDQBDW-HXUWFJFHSA-N 2 1 381.568 3.562 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093134274 845510591 /nfs/dbraw/zinc/51/05/91/845510591.db2.gz QCONVQAPPDQBDW-HXUWFJFHSA-N 2 1 381.568 3.562 20 0 GHADMP COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000513487827 845519816 /nfs/dbraw/zinc/51/98/16/845519816.db2.gz KPCKMSVXLZAAED-AZUAARDMSA-N 2 1 396.531 3.857 20 0 GHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000563159673 845522724 /nfs/dbraw/zinc/52/27/24/845522724.db2.gz ISJQOHNIINTMLE-QFIPXVFZSA-N 2 1 381.520 3.608 20 0 GHADMP COCC[NH+](CCOC)C1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000512800588 845581638 /nfs/dbraw/zinc/58/16/38/845581638.db2.gz DUUHBNUGPKSLOX-UHFFFAOYSA-N 2 1 382.548 3.835 20 0 GHADMP O=C1[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCN1c1ccccc1 ZINC000433179794 845617842 /nfs/dbraw/zinc/61/78/42/845617842.db2.gz XBQZZEDXFKEKFG-HSZRJFAPSA-N 2 1 389.543 3.780 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000156914071 845754184 /nfs/dbraw/zinc/75/41/84/845754184.db2.gz VWCIURBQYSHPCK-JTHBVZDNSA-N 2 1 395.547 3.633 20 0 GHADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@H]1O ZINC000481529633 861610798 /nfs/dbraw/zinc/61/07/98/861610798.db2.gz QJXBUBZQRHYAKH-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccccc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000481529633 861610803 /nfs/dbraw/zinc/61/08/03/861610803.db2.gz QJXBUBZQRHYAKH-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000481529633 861610807 /nfs/dbraw/zinc/61/08/07/861610807.db2.gz QJXBUBZQRHYAKH-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000431316081 845835088 /nfs/dbraw/zinc/83/50/88/845835088.db2.gz BJQCEYZBFCPFQN-BJESRGMDSA-N 2 1 398.595 3.521 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472144165 846159513 /nfs/dbraw/zinc/15/95/13/846159513.db2.gz MZYFVNIMDVWDOM-RTBURBONSA-N 2 1 385.552 3.551 20 0 GHADMP Cn1c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2cc(Cl)ccc21 ZINC000582056823 846169778 /nfs/dbraw/zinc/16/97/78/846169778.db2.gz PPLLXLLDQWKTJU-UTKZUKDTSA-N 2 1 382.895 3.572 20 0 GHADMP Cn1c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2cc(Cl)ccc21 ZINC000582056821 846169827 /nfs/dbraw/zinc/16/98/27/846169827.db2.gz PPLLXLLDQWKTJU-DYESRHJHSA-N 2 1 382.895 3.572 20 0 GHADMP COC[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000657329214 846269241 /nfs/dbraw/zinc/26/92/41/846269241.db2.gz JXQUGBJXJYKTGN-UXHICEINSA-N 2 1 398.547 3.611 20 0 GHADMP COC[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000657329214 846269248 /nfs/dbraw/zinc/26/92/48/846269248.db2.gz JXQUGBJXJYKTGN-UXHICEINSA-N 2 1 398.547 3.611 20 0 GHADMP c1ccc(N2CC[NH+](CCCN3CCC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000509139323 861664379 /nfs/dbraw/zinc/66/43/79/861664379.db2.gz NNUNLGIIOAEVMR-VWLOTQADSA-N 2 1 391.559 3.720 20 0 GHADMP C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000502700678 846361027 /nfs/dbraw/zinc/36/10/27/846361027.db2.gz DMGQWLKHOMBJJI-GOSISDBHSA-N 2 1 390.531 3.978 20 0 GHADMP C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000502700678 846361039 /nfs/dbraw/zinc/36/10/39/846361039.db2.gz DMGQWLKHOMBJJI-GOSISDBHSA-N 2 1 390.531 3.978 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)CC2)CC1 ZINC000502804611 846486681 /nfs/dbraw/zinc/48/66/81/846486681.db2.gz UBFYYCOHAZBCDK-ATKRNPRHSA-N 2 1 390.616 3.593 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000280701345 846502193 /nfs/dbraw/zinc/50/21/93/846502193.db2.gz AOYDNPRCWJATGQ-XEVCZEQESA-N 2 1 383.502 3.903 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000502828244 846524142 /nfs/dbraw/zinc/52/41/42/846524142.db2.gz WWKYXFLLPXFHTK-KDURUIRLSA-N 2 1 390.572 3.507 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000502843723 846535884 /nfs/dbraw/zinc/53/58/84/846535884.db2.gz JVCLXPZXQRJORT-FXAWDEMLSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000502843723 846535888 /nfs/dbraw/zinc/53/58/88/846535888.db2.gz JVCLXPZXQRJORT-FXAWDEMLSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000501022394 846557160 /nfs/dbraw/zinc/55/71/60/846557160.db2.gz JDIVDBMENXVNFE-PXNSSMCTSA-N 2 1 392.975 3.508 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167553242 846580202 /nfs/dbraw/zinc/58/02/02/846580202.db2.gz CWHTYIIQCBIBOO-WMTXJRDZSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167553242 846580214 /nfs/dbraw/zinc/58/02/14/846580214.db2.gz CWHTYIIQCBIBOO-WMTXJRDZSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167553242 846580226 /nfs/dbraw/zinc/58/02/26/846580226.db2.gz CWHTYIIQCBIBOO-WMTXJRDZSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167553240 846580530 /nfs/dbraw/zinc/58/05/30/846580530.db2.gz CWHTYIIQCBIBOO-AKFKNWHVSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167553240 846580537 /nfs/dbraw/zinc/58/05/37/846580537.db2.gz CWHTYIIQCBIBOO-AKFKNWHVSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167553240 846580541 /nfs/dbraw/zinc/58/05/41/846580541.db2.gz CWHTYIIQCBIBOO-AKFKNWHVSA-N 2 1 384.564 3.954 20 0 GHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421821221 846600527 /nfs/dbraw/zinc/60/05/27/846600527.db2.gz QERKCRPGNMNLDW-LJQANCHMSA-N 2 1 386.971 3.984 20 0 GHADMP C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501084307 846628223 /nfs/dbraw/zinc/62/82/23/846628223.db2.gz FHAFCMNXFGPJIQ-PMACEKPBSA-N 2 1 394.563 3.538 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000421842239 846632768 /nfs/dbraw/zinc/63/27/68/846632768.db2.gz NGLBDEZKJSNNCC-FOIQADDNSA-N 2 1 376.903 3.767 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1CCCCC1 ZINC000548717151 846759247 /nfs/dbraw/zinc/75/92/47/846759247.db2.gz DBWYZWBENOHLLK-UHFFFAOYSA-N 2 1 389.609 3.871 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000582299771 846819129 /nfs/dbraw/zinc/81/91/29/846819129.db2.gz GJJLFDQWVYDHFU-SFHVURJKSA-N 2 1 380.536 3.519 20 0 GHADMP COc1sc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1Br ZINC000647249026 846947841 /nfs/dbraw/zinc/94/78/41/846947841.db2.gz YAWFSJSWNGYHHI-ZBFHGGJFSA-N 2 1 395.366 3.954 20 0 GHADMP COc1sc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1Br ZINC000647249026 846947847 /nfs/dbraw/zinc/94/78/47/846947847.db2.gz YAWFSJSWNGYHHI-ZBFHGGJFSA-N 2 1 395.366 3.954 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c2cccs2)CC1 ZINC000684843336 847035515 /nfs/dbraw/zinc/03/55/15/847035515.db2.gz GXYJCXABXJMQEQ-QGZVFWFLSA-N 2 1 399.482 3.725 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272293595 847040293 /nfs/dbraw/zinc/04/02/93/847040293.db2.gz FQMMWDJCDFTKLX-UEXGIBASSA-N 2 1 377.532 3.767 20 0 GHADMP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272336851 847052273 /nfs/dbraw/zinc/05/22/73/847052273.db2.gz BABPUNHAFAZSEI-ACIOBRDBSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420356205 847136173 /nfs/dbraw/zinc/13/61/73/847136173.db2.gz GDKJKEMAZCFXKN-QGZVFWFLSA-N 3 1 383.502 3.991 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420356205 847136177 /nfs/dbraw/zinc/13/61/77/847136177.db2.gz GDKJKEMAZCFXKN-QGZVFWFLSA-N 3 1 383.502 3.991 20 0 GHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000420360201 847138070 /nfs/dbraw/zinc/13/80/70/847138070.db2.gz KTLKGEHVOBTWLC-CTNGQTDRSA-N 2 1 385.939 3.523 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cccn2)cc1 ZINC000272720848 847155566 /nfs/dbraw/zinc/15/55/66/847155566.db2.gz FJHMEXBPPRIHHA-NTKDMRAZSA-N 2 1 390.531 3.680 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-n2cccn2)cc1 ZINC000272720846 847155615 /nfs/dbraw/zinc/15/56/15/847155615.db2.gz FJHMEXBPPRIHHA-DVECYGJZSA-N 2 1 390.531 3.680 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000501755928 847166177 /nfs/dbraw/zinc/16/61/77/847166177.db2.gz MXHXTYSJLNUAHJ-OTWHNJEPSA-N 2 1 392.613 3.552 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC(c1ccccc1)c1ccccc1 ZINC000420407883 847170100 /nfs/dbraw/zinc/17/01/00/847170100.db2.gz VSQSACWPLSPGFY-DHIUTWEWSA-N 2 1 391.559 3.746 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC[N@@H+]1C ZINC000481586941 861772075 /nfs/dbraw/zinc/77/20/75/861772075.db2.gz ZKMCLLMGAYYRHM-GUDVDZBRSA-N 2 1 379.504 3.657 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC[N@H+]1C ZINC000481586941 861772084 /nfs/dbraw/zinc/77/20/84/861772084.db2.gz ZKMCLLMGAYYRHM-GUDVDZBRSA-N 2 1 379.504 3.657 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC[N@@H+]1C ZINC000481586940 861772441 /nfs/dbraw/zinc/77/24/41/861772441.db2.gz ZKMCLLMGAYYRHM-CEXWTWQISA-N 2 1 379.504 3.657 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC[N@H+]1C ZINC000481586940 861772453 /nfs/dbraw/zinc/77/24/53/861772453.db2.gz ZKMCLLMGAYYRHM-CEXWTWQISA-N 2 1 379.504 3.657 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001167575609 847280767 /nfs/dbraw/zinc/28/07/67/847280767.db2.gz DZXQJTLDXAQFGH-SQJMNOBHSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001167575609 847280779 /nfs/dbraw/zinc/28/07/79/847280779.db2.gz DZXQJTLDXAQFGH-SQJMNOBHSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001167575609 847280789 /nfs/dbraw/zinc/28/07/89/847280789.db2.gz DZXQJTLDXAQFGH-SQJMNOBHSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC001167575609 847280799 /nfs/dbraw/zinc/28/07/99/847280799.db2.gz DZXQJTLDXAQFGH-SQJMNOBHSA-N 2 1 391.559 3.722 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000237133609 847417923 /nfs/dbraw/zinc/41/79/23/847417923.db2.gz DIPLNMKARQBNLE-HSZRJFAPSA-N 2 1 391.559 3.537 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420799502 847439820 /nfs/dbraw/zinc/43/98/20/847439820.db2.gz NHMBVBYHSCZKKO-OSFYOIPJSA-N 2 1 386.584 3.733 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)ncn1 ZINC000159069652 847473777 /nfs/dbraw/zinc/47/37/77/847473777.db2.gz RURFSHQZZJBCEX-KRWDZBQOSA-N 2 1 390.535 3.853 20 0 GHADMP Clc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420925071 847545640 /nfs/dbraw/zinc/54/56/40/847545640.db2.gz VJHOBHGWPCWCEQ-FCHUYYIVSA-N 2 1 386.923 3.792 20 0 GHADMP C[NH+](CC1(C[N@H+](C)C2CC(OC(C)(C)C)C2)COC1)C1CC(OC(C)(C)C)C1 ZINC000421020016 847642071 /nfs/dbraw/zinc/64/20/71/847642071.db2.gz YLRBIZSTCJXBKV-UHFFFAOYSA-N 2 1 396.616 3.559 20 0 GHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422727987 847800913 /nfs/dbraw/zinc/80/09/13/847800913.db2.gz IMWVJIOPDWEJGX-GHTZIAJQSA-N 2 1 395.551 3.804 20 0 GHADMP COc1ccc([C@H]([NH2+][C@H](C)C2C[NH2+]C2)c2ccccc2)cc1Br ZINC000422979651 847926636 /nfs/dbraw/zinc/92/66/36/847926636.db2.gz KCTPNLDYKNFLLB-BFUOFWGJSA-N 2 1 375.310 3.745 20 0 GHADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423032401 847947652 /nfs/dbraw/zinc/94/76/52/847947652.db2.gz MLLULOAASXUOIN-CTAFRAEOSA-N 2 1 375.438 3.974 20 0 GHADMP FC(F)(F)c1ccc(OCCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000423072525 847963105 /nfs/dbraw/zinc/96/31/05/847963105.db2.gz JNMPARQPZCXQPJ-ZWKOTPCHSA-N 2 1 379.426 3.952 20 0 GHADMP COc1ccc([C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423090892 847975555 /nfs/dbraw/zinc/97/55/55/847975555.db2.gz YTFMDYRNIYLRNE-OYDLWJJNSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1cc(Br)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657594610 848285678 /nfs/dbraw/zinc/28/56/78/848285678.db2.gz CFDJIVCQWSOURG-MRXNPFEDSA-N 2 1 395.366 3.675 20 0 GHADMP Cc1cc(Br)ccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595310 848287261 /nfs/dbraw/zinc/28/72/61/848287261.db2.gz ONPMKQSJPIARRN-HXUWFJFHSA-N 2 1 389.337 3.614 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000582782931 848364048 /nfs/dbraw/zinc/36/40/48/848364048.db2.gz GDTRGQUZJMMJKJ-XJRBWHPUSA-N 2 1 379.495 3.512 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000582782931 848364057 /nfs/dbraw/zinc/36/40/57/848364057.db2.gz GDTRGQUZJMMJKJ-XJRBWHPUSA-N 2 1 379.495 3.512 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000582782609 848365338 /nfs/dbraw/zinc/36/53/38/848365338.db2.gz FUDNIHHCHGHVOT-HXUWFJFHSA-N 2 1 386.515 3.529 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000582782609 848365344 /nfs/dbraw/zinc/36/53/44/848365344.db2.gz FUDNIHHCHGHVOT-HXUWFJFHSA-N 2 1 386.515 3.529 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1nc2ccccc2n1C ZINC000180011072 861903537 /nfs/dbraw/zinc/90/35/37/861903537.db2.gz YPIQQZZVUJSCCE-AUSIDOKSSA-N 2 1 391.563 3.603 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000472269003 848555308 /nfs/dbraw/zinc/55/53/08/848555308.db2.gz SDJMXZZWSJPYIY-FQEVSTJZSA-N 2 1 383.536 3.601 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000161430131 848559855 /nfs/dbraw/zinc/55/98/55/848559855.db2.gz ZXHODDVZXKEINE-ZMYBRWDISA-N 2 1 389.367 3.753 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604179986 861937229 /nfs/dbraw/zinc/93/72/29/861937229.db2.gz YPAKVPGHNWVBAH-KCZVDYSFSA-N 2 1 386.584 3.633 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000548779938 848748460 /nfs/dbraw/zinc/74/84/60/848748460.db2.gz XJKRCKVRORHJQB-SFHVURJKSA-N 2 1 399.292 3.952 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000472274393 848820507 /nfs/dbraw/zinc/82/05/07/848820507.db2.gz GXTYOMCHNJAXBD-ICSRJNTNSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000472274393 848820511 /nfs/dbraw/zinc/82/05/11/848820511.db2.gz GXTYOMCHNJAXBD-ICSRJNTNSA-N 2 1 383.536 3.600 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000123606120 849164445 /nfs/dbraw/zinc/16/44/45/849164445.db2.gz HFLBWMYJWNRRDT-UHFFFAOYSA-N 2 1 397.317 3.646 20 0 GHADMP c1ncn(Cc2ccccc2C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000278225094 849734968 /nfs/dbraw/zinc/73/49/68/849734968.db2.gz JQHHJOKFFWHGJV-BKFWDETESA-N 2 1 387.531 3.612 20 0 GHADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423345506 849863122 /nfs/dbraw/zinc/86/31/22/849863122.db2.gz XPKDSXHWTZABEP-AKIFATBCSA-N 2 1 386.511 3.517 20 0 GHADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434894186 849863578 /nfs/dbraw/zinc/86/35/78/849863578.db2.gz FTEDDIQGTXWXNP-RDPSFJRHSA-N 2 1 391.559 3.777 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1CC(F)(F)F ZINC000536020494 849864102 /nfs/dbraw/zinc/86/41/02/849864102.db2.gz HSDNLTVRJAJVHB-UHFFFAOYSA-N 2 1 387.490 3.902 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1CC(F)(F)F ZINC000536020494 849864117 /nfs/dbraw/zinc/86/41/17/849864117.db2.gz HSDNLTVRJAJVHB-UHFFFAOYSA-N 2 1 387.490 3.902 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)cc1 ZINC000423332466 849869421 /nfs/dbraw/zinc/86/94/21/849869421.db2.gz NKSAPDOCEXJIIW-URZJWIJPSA-N 2 1 398.547 3.687 20 0 GHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423333045 849870283 /nfs/dbraw/zinc/87/02/83/849870283.db2.gz NUMGQPVQJXDDOD-HJNYFJLDSA-N 2 1 398.547 3.769 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513807326 849885396 /nfs/dbraw/zinc/88/53/96/849885396.db2.gz ZGRIAUMQNQCOGQ-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)s2)cc1OC ZINC000423394754 849898341 /nfs/dbraw/zinc/89/83/41/849898341.db2.gz SHHQSEUSWSRRQU-GRDNDAEWSA-N 2 1 389.565 3.851 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2I)CC[NH2+]1 ZINC000414748156 849954604 /nfs/dbraw/zinc/95/46/04/849954604.db2.gz WDNVMPYITHSQLM-CKEIUWERSA-N 2 1 384.305 3.816 20 0 GHADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423494134 849955527 /nfs/dbraw/zinc/95/55/27/849955527.db2.gz RSRKHPRSZGVDGF-IUODEOHRSA-N 2 1 395.263 3.887 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423514628 849962985 /nfs/dbraw/zinc/96/29/85/849962985.db2.gz UGMHVHFNXGHJKV-ACBHZAAOSA-N 2 1 392.385 3.551 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423522398 849966295 /nfs/dbraw/zinc/96/62/95/849966295.db2.gz HHPQWGLKXAQBNT-VBVZNHOFSA-N 2 1 388.552 3.525 20 0 GHADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1F ZINC000423521770 849966441 /nfs/dbraw/zinc/96/64/41/849966441.db2.gz SZRCIJDGEZNZDQ-FLQRSKGTSA-N 2 1 389.559 3.667 20 0 GHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000423553436 849979023 /nfs/dbraw/zinc/97/90/23/849979023.db2.gz GWEWPXKKHUADBM-OAHLLOKOSA-N 2 1 377.454 3.748 20 0 GHADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[C@H](C)[NH3+] ZINC000423742071 850040287 /nfs/dbraw/zinc/04/02/87/850040287.db2.gz IMUWNZNBPNEVNJ-HNAYVOBHSA-N 2 1 399.501 3.748 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000423834966 850069567 /nfs/dbraw/zinc/06/95/67/850069567.db2.gz VACYKOZMHOHQNB-SZFUDVHCSA-N 2 1 387.474 3.938 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000423834966 850069578 /nfs/dbraw/zinc/06/95/78/850069578.db2.gz VACYKOZMHOHQNB-SZFUDVHCSA-N 2 1 387.474 3.938 20 0 GHADMP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000518934109 850355704 /nfs/dbraw/zinc/35/57/04/850355704.db2.gz GMSBMDGYOQPWDN-GLCCWIKHSA-N 2 1 383.580 3.809 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424336927 850396572 /nfs/dbraw/zinc/39/65/72/850396572.db2.gz ZIKCKWHLLMYYOL-XUZZJYLKSA-N 2 1 393.575 3.626 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424336927 850396582 /nfs/dbraw/zinc/39/65/82/850396582.db2.gz ZIKCKWHLLMYYOL-XUZZJYLKSA-N 2 1 393.575 3.626 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@@H]3CCCC[C@H]3[NH3+])s2)cc1OC ZINC000424369099 850409807 /nfs/dbraw/zinc/40/98/07/850409807.db2.gz BCYBZGUYELOXQM-IAOVAPTHSA-N 2 1 389.565 3.980 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000515028644 850622376 /nfs/dbraw/zinc/62/23/76/850622376.db2.gz OFPMGYSIXVAHDT-NRFANRHFSA-N 2 1 377.488 3.602 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000505141800 850644505 /nfs/dbraw/zinc/64/45/05/850644505.db2.gz NLORJONOKQJJGD-ROUUACIJSA-N 2 1 385.474 3.689 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000519141903 850662727 /nfs/dbraw/zinc/66/27/27/850662727.db2.gz SNGKSDIATSNFLA-NZQKXSOJSA-N 2 1 382.548 3.858 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)[NH+]2CCCCC2)cc1 ZINC000519227218 850761881 /nfs/dbraw/zinc/76/18/81/850761881.db2.gz CPNCTGZEWAEAKN-JPYJTQIMSA-N 2 1 399.579 3.601 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000515395521 850975592 /nfs/dbraw/zinc/97/55/92/850975592.db2.gz NTQVWORSJVJBAI-VGOFRKELSA-N 2 1 379.504 3.834 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000519383352 850990061 /nfs/dbraw/zinc/99/00/61/850990061.db2.gz RQJMMVGPECNRPK-MDZRGWNJSA-N 2 1 380.964 3.505 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1OC ZINC000285494418 851197857 /nfs/dbraw/zinc/19/78/57/851197857.db2.gz CGRJOUDIIQUFIQ-SFHVURJKSA-N 2 1 384.520 3.695 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000110912595 851478478 /nfs/dbraw/zinc/47/84/78/851478478.db2.gz HMBCKHNUDLFFCX-UHFFFAOYSA-N 2 1 399.966 3.800 20 0 GHADMP c1[nH+]c(C2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)n2c1CCCC2 ZINC000434689432 851479929 /nfs/dbraw/zinc/47/99/29/851479929.db2.gz WFHHCAUJWBQVCQ-UHFFFAOYSA-N 2 1 383.492 3.597 20 0 GHADMP CCc1nocc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000550099593 851574501 /nfs/dbraw/zinc/57/45/01/851574501.db2.gz BELMWFBHIKLXBC-UHFFFAOYSA-N 2 1 390.531 3.849 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000111240809 851578179 /nfs/dbraw/zinc/57/81/79/851578179.db2.gz MWWFFCVXSWBTTG-INIZCTEOSA-N 2 1 375.340 3.539 20 0 GHADMP C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000488665689 851680879 /nfs/dbraw/zinc/68/08/79/851680879.db2.gz NHGYKILSYHVQNK-HXUWFJFHSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000488665689 851680884 /nfs/dbraw/zinc/68/08/84/851680884.db2.gz NHGYKILSYHVQNK-HXUWFJFHSA-N 2 1 391.559 3.556 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000506850008 851730031 /nfs/dbraw/zinc/73/00/31/851730031.db2.gz DMWWUWVNDOERSD-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000550172074 851810585 /nfs/dbraw/zinc/81/05/85/851810585.db2.gz SJWWWMZWQLLGKB-UHFFFAOYSA-N 2 1 391.515 3.512 20 0 GHADMP Cn1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000664836839 851864656 /nfs/dbraw/zinc/86/46/56/851864656.db2.gz QBVGRGHIOZMZJT-HSZRJFAPSA-N 2 1 379.548 3.508 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)cc1 ZINC000180721629 862297442 /nfs/dbraw/zinc/29/74/42/862297442.db2.gz DCFQWSPJTWKLFK-MRXNPFEDSA-N 2 1 380.467 3.791 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)s2)cc1OC ZINC000425948125 852031610 /nfs/dbraw/zinc/03/16/10/852031610.db2.gz AEWKFQJOMRGMOS-CABCVRRESA-N 2 1 391.581 3.908 20 0 GHADMP Oc1ccc(Br)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167982068 852055301 /nfs/dbraw/zinc/05/53/01/852055301.db2.gz VDNYKKCJQDAAQA-ALOPSCKCSA-N 2 1 379.342 3.692 20 0 GHADMP CC(C)Oc1cccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000517538689 852068321 /nfs/dbraw/zinc/06/83/21/852068321.db2.gz JHHYAMJBZYREKQ-DEOSSOPVSA-N 2 1 381.564 3.942 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1C(F)(F)F ZINC000517557014 852095543 /nfs/dbraw/zinc/09/55/43/852095543.db2.gz ZGBVEDFGXXSNKZ-QUCCMNQESA-N 2 1 392.465 3.721 20 0 GHADMP C[N@@H+](Cc1cc2ccnc(Cl)c2s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894768956 852135137 /nfs/dbraw/zinc/13/51/37/852135137.db2.gz AEQRHSDSOQICPR-MRXNPFEDSA-N 2 1 378.973 3.550 20 0 GHADMP C[C@@H](Sc1ccccc1Cl)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517650777 852227824 /nfs/dbraw/zinc/22/78/24/852227824.db2.gz AUGSHOIFZKFDQG-CQSZACIVSA-N 2 1 390.940 3.606 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]3COCC[C@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489361184 852269117 /nfs/dbraw/zinc/26/91/17/852269117.db2.gz MYEXUBCQCMEMNM-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000489361184 852269126 /nfs/dbraw/zinc/26/91/26/852269126.db2.gz MYEXUBCQCMEMNM-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000489361184 852269138 /nfs/dbraw/zinc/26/91/38/852269138.db2.gz MYEXUBCQCMEMNM-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000506917090 852331331 /nfs/dbraw/zinc/33/13/31/852331331.db2.gz NCLAZLCGEXEFHE-SFTDATJTSA-N 2 1 392.632 3.937 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489438950 852342532 /nfs/dbraw/zinc/34/25/32/852342532.db2.gz HVGGFGVIDILYFF-UNMCSNQZSA-N 2 1 388.600 3.705 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC000570460385 852364046 /nfs/dbraw/zinc/36/40/46/852364046.db2.gz SVDFUWRKPQHQBF-PZJWPPBQSA-N 2 1 377.617 3.904 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000489716381 852542739 /nfs/dbraw/zinc/54/27/39/852542739.db2.gz OSILOQNRZDCSOE-PGRDOPGGSA-N 2 1 395.522 3.953 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000489852648 852608163 /nfs/dbraw/zinc/60/81/63/852608163.db2.gz RCVWVXPABRMJOD-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985786 852923101 /nfs/dbraw/zinc/92/31/01/852923101.db2.gz ZXKLVAHRGAXTCO-MQEZQYLSSA-N 2 1 391.600 3.971 20 0 GHADMP CN(C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985786 852923102 /nfs/dbraw/zinc/92/31/02/852923102.db2.gz ZXKLVAHRGAXTCO-MQEZQYLSSA-N 2 1 391.600 3.971 20 0 GHADMP CN(C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001167985786 852923107 /nfs/dbraw/zinc/92/31/07/852923107.db2.gz ZXKLVAHRGAXTCO-MQEZQYLSSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000518168230 853007293 /nfs/dbraw/zinc/00/72/93/853007293.db2.gz AIEKTCDCCJFJGT-HOTGVXAUSA-N 2 1 389.367 3.835 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506054997 853177113 /nfs/dbraw/zinc/17/71/13/853177113.db2.gz GMERDLPBHYMELH-UYAOXDASSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506054997 853177118 /nfs/dbraw/zinc/17/71/18/853177118.db2.gz GMERDLPBHYMELH-UYAOXDASSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506054997 853177122 /nfs/dbraw/zinc/17/71/22/853177122.db2.gz GMERDLPBHYMELH-UYAOXDASSA-N 2 1 393.522 3.525 20 0 GHADMP CC[C@H](C(=O)NC[C@H](C)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000516939607 853180785 /nfs/dbraw/zinc/18/07/85/853180785.db2.gz HKVBBWIIFCRDKF-FXAWDEMLSA-N 2 1 385.577 3.522 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000031006685 862442907 /nfs/dbraw/zinc/44/29/07/862442907.db2.gz KDTSQNRANQTZMM-SFHVURJKSA-N 2 1 399.966 3.941 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031006685 862442911 /nfs/dbraw/zinc/44/29/11/862442911.db2.gz KDTSQNRANQTZMM-SFHVURJKSA-N 2 1 399.966 3.941 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490817649 853288807 /nfs/dbraw/zinc/28/88/07/853288807.db2.gz YGSCTASGRIVEDI-NKKJXINNSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490817649 853288814 /nfs/dbraw/zinc/28/88/14/853288814.db2.gz YGSCTASGRIVEDI-NKKJXINNSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490817649 853288818 /nfs/dbraw/zinc/28/88/18/853288818.db2.gz YGSCTASGRIVEDI-NKKJXINNSA-N 2 1 391.559 3.678 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCCC4)c2)C1 ZINC000490843160 853305867 /nfs/dbraw/zinc/30/58/67/853305867.db2.gz AGSIEBVVHATIFF-XMMPIXPASA-N 2 1 391.559 3.553 20 0 GHADMP CCN(C(=O)NCc1c[nH+]c2n1CCCC2)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517049392 853307436 /nfs/dbraw/zinc/30/74/36/853307436.db2.gz KXNSEVYOGVUYKI-UYAOXDASSA-N 2 1 395.551 3.586 20 0 GHADMP CCN(C(=O)NCc1c[nH+]c2n1CCCC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000517049392 853307445 /nfs/dbraw/zinc/30/74/45/853307445.db2.gz KXNSEVYOGVUYKI-UYAOXDASSA-N 2 1 395.551 3.586 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000518444025 853347004 /nfs/dbraw/zinc/34/70/04/853347004.db2.gz CPUFUHUBLGANJR-WIYYLYMNSA-N 2 1 398.551 3.545 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000437643535 853355848 /nfs/dbraw/zinc/35/58/48/853355848.db2.gz SNNAKSFYXOXTKV-QFIPXVFZSA-N 2 1 390.616 3.737 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000518458928 853371705 /nfs/dbraw/zinc/37/17/05/853371705.db2.gz RQSGRHWMMCRCLD-IBGZPJMESA-N 2 1 388.600 3.837 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000518458928 853371715 /nfs/dbraw/zinc/37/17/15/853371715.db2.gz RQSGRHWMMCRCLD-IBGZPJMESA-N 2 1 388.600 3.837 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000518458928 853371726 /nfs/dbraw/zinc/37/17/26/853371726.db2.gz RQSGRHWMMCRCLD-IBGZPJMESA-N 2 1 388.600 3.837 20 0 GHADMP COc1ccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccc(F)cc2)cc1 ZINC000491009577 853387043 /nfs/dbraw/zinc/38/70/43/853387043.db2.gz QSXLVTYIPMOZIE-QHCPKHFHSA-N 2 1 385.527 3.541 20 0 GHADMP Fc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2COc3ccccc3O2)cc1 ZINC000426318899 853422836 /nfs/dbraw/zinc/42/28/36/853422836.db2.gz MQFYTEGPPXPLOE-YOEKFXIASA-N 2 1 396.506 3.793 20 0 GHADMP Cc1ccc(C)c([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2)c1 ZINC000491051419 853426794 /nfs/dbraw/zinc/42/67/94/853426794.db2.gz JCSPJQYPVCBQCE-GGAORHGYSA-N 2 1 379.548 3.570 20 0 GHADMP Cc1ccc(C)c([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2)c1 ZINC000491051419 853426800 /nfs/dbraw/zinc/42/68/00/853426800.db2.gz JCSPJQYPVCBQCE-GGAORHGYSA-N 2 1 379.548 3.570 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]21 ZINC001167988469 853571795 /nfs/dbraw/zinc/57/17/95/853571795.db2.gz PXFYKJKGUDTIIS-BKUVARHGSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]21 ZINC001167988469 853571804 /nfs/dbraw/zinc/57/18/04/853571804.db2.gz PXFYKJKGUDTIIS-BKUVARHGSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]21 ZINC001167988469 853571810 /nfs/dbraw/zinc/57/18/10/853571810.db2.gz PXFYKJKGUDTIIS-BKUVARHGSA-N 2 1 389.584 3.723 20 0 GHADMP COc1cc(Cl)c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1OC ZINC001212144900 853648768 /nfs/dbraw/zinc/64/87/68/853648768.db2.gz GSEKUZVVXOCRSU-AWEZNQCLSA-N 2 1 382.892 3.575 20 0 GHADMP C[N@H+](CC1CCC(C(F)(F)F)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425929435 853656859 /nfs/dbraw/zinc/65/68/59/853656859.db2.gz XQUDVTPGBIQLQI-MHJFOBGBSA-N 2 1 384.486 3.924 20 0 GHADMP C[N@@H+](CC1CCC(C(F)(F)F)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425929435 853656864 /nfs/dbraw/zinc/65/68/64/853656864.db2.gz XQUDVTPGBIQLQI-MHJFOBGBSA-N 2 1 384.486 3.924 20 0 GHADMP C[NH+](CC1CCC(C(F)(F)F)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425929435 853656868 /nfs/dbraw/zinc/65/68/68/853656868.db2.gz XQUDVTPGBIQLQI-MHJFOBGBSA-N 2 1 384.486 3.924 20 0 GHADMP C[NH+](CC1CCC(C(F)(F)F)CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425929435 853656870 /nfs/dbraw/zinc/65/68/70/853656870.db2.gz XQUDVTPGBIQLQI-MHJFOBGBSA-N 2 1 384.486 3.924 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2c2ccccc2)CC1 ZINC000517324662 853660427 /nfs/dbraw/zinc/66/04/27/853660427.db2.gz WXFJQXDWBQFDJP-DEOSSOPVSA-N 2 1 391.559 3.866 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000517324662 853660433 /nfs/dbraw/zinc/66/04/33/853660433.db2.gz WXFJQXDWBQFDJP-DEOSSOPVSA-N 2 1 391.559 3.866 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000517324662 853660440 /nfs/dbraw/zinc/66/04/40/853660440.db2.gz WXFJQXDWBQFDJP-DEOSSOPVSA-N 2 1 391.559 3.866 20 0 GHADMP C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc(C[NH+]4CCCCC4)cc3)n1)OC2 ZINC000570970344 853668803 /nfs/dbraw/zinc/66/88/03/853668803.db2.gz AZGLNFYOMGSPOB-UGKGYDQZSA-N 2 1 382.508 3.648 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000416131831 853724355 /nfs/dbraw/zinc/72/43/55/853724355.db2.gz AEXKQEMECGSZMT-DEOSSOPVSA-N 2 1 391.559 3.729 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC(C)(C)c4ccccc43)cc2)CC1 ZINC000481913657 862511049 /nfs/dbraw/zinc/51/10/49/862511049.db2.gz GRBCINBKAJYNST-HSZRJFAPSA-N 2 1 391.559 3.977 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000441330088 854118077 /nfs/dbraw/zinc/11/80/77/854118077.db2.gz LDFXRWDTDNOWIU-JKSUJKDBSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000441330088 854118069 /nfs/dbraw/zinc/11/80/69/854118069.db2.gz LDFXRWDTDNOWIU-JKSUJKDBSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000441330088 854118081 /nfs/dbraw/zinc/11/80/81/854118081.db2.gz LDFXRWDTDNOWIU-JKSUJKDBSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000441330088 854118084 /nfs/dbraw/zinc/11/80/84/854118084.db2.gz LDFXRWDTDNOWIU-JKSUJKDBSA-N 2 1 375.340 3.539 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000441377592 854161197 /nfs/dbraw/zinc/16/11/97/854161197.db2.gz CFRYTFVYHREEJH-WSTZPKSXSA-N 2 1 384.568 3.574 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000520408476 854180795 /nfs/dbraw/zinc/18/07/95/854180795.db2.gz TYVXTBMDQVSHSU-ZCNNSNEGSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000520408476 854180802 /nfs/dbraw/zinc/18/08/02/854180802.db2.gz TYVXTBMDQVSHSU-ZCNNSNEGSA-N 2 1 389.337 3.517 20 0 GHADMP CC(C)C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000441405709 854201188 /nfs/dbraw/zinc/20/11/88/854201188.db2.gz PWENRCHXWYEZFA-ACIOBRDBSA-N 2 1 383.580 3.839 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)CC2=O)c1 ZINC001167991861 854300180 /nfs/dbraw/zinc/30/01/80/854300180.db2.gz FLZVEPNQFBYTNN-KMBIXFLUSA-N 2 1 393.575 3.829 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)c1 ZINC001167991861 854300190 /nfs/dbraw/zinc/30/01/90/854300190.db2.gz FLZVEPNQFBYTNN-KMBIXFLUSA-N 2 1 393.575 3.829 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)c1 ZINC001167991861 854300197 /nfs/dbraw/zinc/30/01/97/854300197.db2.gz FLZVEPNQFBYTNN-KMBIXFLUSA-N 2 1 393.575 3.829 20 0 GHADMP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709197 854368629 /nfs/dbraw/zinc/36/86/29/854368629.db2.gz JQOZJFKZMGKCRI-KURKYZTESA-N 2 1 384.524 3.619 20 0 GHADMP CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093346 854372112 /nfs/dbraw/zinc/37/21/12/854372112.db2.gz MUMCPDKVXSLWSQ-XMMPIXPASA-N 2 1 391.559 3.774 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993727 854385709 /nfs/dbraw/zinc/38/57/09/854385709.db2.gz QKEFGFINCZOWEB-PYCXZRKXSA-N 2 1 393.575 3.829 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993727 854385719 /nfs/dbraw/zinc/38/57/19/854385719.db2.gz QKEFGFINCZOWEB-PYCXZRKXSA-N 2 1 393.575 3.829 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)cc1 ZINC001167993727 854385725 /nfs/dbraw/zinc/38/57/25/854385725.db2.gz QKEFGFINCZOWEB-PYCXZRKXSA-N 2 1 393.575 3.829 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000572118715 854399178 /nfs/dbraw/zinc/39/91/78/854399178.db2.gz KIZZJYOYQYNABE-SJLPKXTDSA-N 2 1 397.485 3.646 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1csc2c1cccc2Br ZINC000572304355 854458923 /nfs/dbraw/zinc/45/89/23/854458923.db2.gz NCCKRXFCKXKYFW-HNNXBMFYSA-N 2 1 397.382 3.990 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000624053660 862615417 /nfs/dbraw/zinc/61/54/17/862615417.db2.gz LPMACGUMZGDSTN-BHIYHBOVSA-N 2 1 392.469 3.972 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000624053660 862615419 /nfs/dbraw/zinc/61/54/19/862615419.db2.gz LPMACGUMZGDSTN-BHIYHBOVSA-N 2 1 392.469 3.972 20 0 GHADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000624591403 854926802 /nfs/dbraw/zinc/92/68/02/854926802.db2.gz MKYCUVFMDFYNOL-BJKOFHAPSA-N 2 1 395.591 3.622 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(Br)c1OC ZINC000623654490 855070408 /nfs/dbraw/zinc/07/04/08/855070408.db2.gz ATKRPJHPCWXJLI-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(Br)c1OC ZINC000623654490 855070412 /nfs/dbraw/zinc/07/04/12/855070412.db2.gz ATKRPJHPCWXJLI-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(C)c1C ZINC000589735523 855128476 /nfs/dbraw/zinc/12/84/76/855128476.db2.gz RQRDOSCZCDDAJH-WWPVKYPJSA-N 2 1 395.547 3.510 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000589995492 855218365 /nfs/dbraw/zinc/21/83/65/855218365.db2.gz XMBFMVAJNFWONR-QHCPKHFHSA-N 2 1 379.548 3.722 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000589995492 855218372 /nfs/dbraw/zinc/21/83/72/855218372.db2.gz XMBFMVAJNFWONR-QHCPKHFHSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000589995492 855218378 /nfs/dbraw/zinc/21/83/78/855218378.db2.gz XMBFMVAJNFWONR-QHCPKHFHSA-N 2 1 379.548 3.722 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000589995492 855218384 /nfs/dbraw/zinc/21/83/84/855218384.db2.gz XMBFMVAJNFWONR-QHCPKHFHSA-N 2 1 379.548 3.722 20 0 GHADMP CC[N@H+](CC(=O)N1c2ccccc2CC[C@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999656 855221237 /nfs/dbraw/zinc/22/12/37/855221237.db2.gz QJQNDEDZIDVOAZ-LJQANCHMSA-N 2 1 379.548 3.938 20 0 GHADMP CC[N@@H+](CC(=O)N1c2ccccc2CC[C@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999656 855221240 /nfs/dbraw/zinc/22/12/40/855221240.db2.gz QJQNDEDZIDVOAZ-LJQANCHMSA-N 2 1 379.548 3.938 20 0 GHADMP Cc1ccc(-c2cnc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000441479263 855234499 /nfs/dbraw/zinc/23/44/99/855234499.db2.gz VBAAPZJBBPPDER-KDURUIRLSA-N 2 1 383.536 3.971 20 0 GHADMP Cc1ccc(-c2cnc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000441479263 855234505 /nfs/dbraw/zinc/23/45/05/855234505.db2.gz VBAAPZJBBPPDER-KDURUIRLSA-N 2 1 383.536 3.971 20 0 GHADMP C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120824 862668877 /nfs/dbraw/zinc/66/88/77/862668877.db2.gz HPFZYMJGVCPYKX-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120824 862668884 /nfs/dbraw/zinc/66/88/84/862668884.db2.gz HPFZYMJGVCPYKX-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120824 862668891 /nfs/dbraw/zinc/66/88/91/862668891.db2.gz HPFZYMJGVCPYKX-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000465636233 855458555 /nfs/dbraw/zinc/45/85/55/855458555.db2.gz RLBFYOSEWQNQOY-HKUYNNGSSA-N 2 1 386.540 3.551 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1NC(C)=O ZINC000482118412 862700167 /nfs/dbraw/zinc/70/01/67/862700167.db2.gz DATLOWJODNAZRV-UWJYYQICSA-N 2 1 381.520 3.654 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1NC(C)=O ZINC000482118412 862700174 /nfs/dbraw/zinc/70/01/74/862700174.db2.gz DATLOWJODNAZRV-UWJYYQICSA-N 2 1 381.520 3.654 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000056813031 855678503 /nfs/dbraw/zinc/67/85/03/855678503.db2.gz CIXMZPHSWGANQK-UHFFFAOYSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000520612936 855794743 /nfs/dbraw/zinc/79/47/43/855794743.db2.gz IUONLNMTQJZWGS-OFNKIYASSA-N 2 1 398.595 3.831 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828981 855989615 /nfs/dbraw/zinc/98/96/15/855989615.db2.gz ARSMYYRUYCYLHZ-VAMGGRTRSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828981 855989621 /nfs/dbraw/zinc/98/96/21/855989621.db2.gz ARSMYYRUYCYLHZ-VAMGGRTRSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828981 855989626 /nfs/dbraw/zinc/98/96/26/855989626.db2.gz ARSMYYRUYCYLHZ-VAMGGRTRSA-N 2 1 379.589 3.972 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)c1ccccc1 ZINC000591463316 856002544 /nfs/dbraw/zinc/00/25/44/856002544.db2.gz HSGZEQCHJAZNGS-PGRDOPGGSA-N 2 1 381.520 3.711 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)c1ccccc1 ZINC000591463316 856002549 /nfs/dbraw/zinc/00/25/49/856002549.db2.gz HSGZEQCHJAZNGS-PGRDOPGGSA-N 2 1 381.520 3.711 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)c1ccccc1 ZINC000591463314 856002630 /nfs/dbraw/zinc/00/26/30/856002630.db2.gz HSGZEQCHJAZNGS-AVRDEDQJSA-N 2 1 381.520 3.711 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)c1ccccc1 ZINC000591463314 856002634 /nfs/dbraw/zinc/00/26/34/856002634.db2.gz HSGZEQCHJAZNGS-AVRDEDQJSA-N 2 1 381.520 3.711 20 0 GHADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000520697029 856044508 /nfs/dbraw/zinc/04/45/08/856044508.db2.gz YRCGTIMZDIQRQH-UHFFFAOYSA-N 2 1 379.548 3.551 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000520697029 856044518 /nfs/dbraw/zinc/04/45/18/856044518.db2.gz YRCGTIMZDIQRQH-UHFFFAOYSA-N 2 1 379.548 3.551 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000520697029 856044524 /nfs/dbraw/zinc/04/45/24/856044524.db2.gz YRCGTIMZDIQRQH-UHFFFAOYSA-N 2 1 379.548 3.551 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000520697029 856044532 /nfs/dbraw/zinc/04/45/32/856044532.db2.gz YRCGTIMZDIQRQH-UHFFFAOYSA-N 2 1 379.548 3.551 20 0 GHADMP CC(C)=C[C@H]1[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000674308554 856156567 /nfs/dbraw/zinc/15/65/67/856156567.db2.gz BVTKLYQIZUFOMP-VXKWHMMOSA-N 2 1 389.628 3.880 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905122146 856168452 /nfs/dbraw/zinc/16/84/52/856168452.db2.gz LIPBAVVJRHVVAL-CTUHWIOQSA-N 2 1 382.548 3.676 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+]1C ZINC000172614917 856301231 /nfs/dbraw/zinc/30/12/31/856301231.db2.gz BRKONZQZODHJOW-AUSIDOKSSA-N 2 1 379.548 3.873 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000172614917 856301238 /nfs/dbraw/zinc/30/12/38/856301238.db2.gz BRKONZQZODHJOW-AUSIDOKSSA-N 2 1 379.548 3.873 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000172614917 856301251 /nfs/dbraw/zinc/30/12/51/856301251.db2.gz BRKONZQZODHJOW-AUSIDOKSSA-N 2 1 379.548 3.873 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC001128744071 856381043 /nfs/dbraw/zinc/38/10/43/856381043.db2.gz FPIUHQNUXNDUCP-YPAWHYETSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001128744071 856381055 /nfs/dbraw/zinc/38/10/55/856381055.db2.gz FPIUHQNUXNDUCP-YPAWHYETSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001128744071 856381071 /nfs/dbraw/zinc/38/10/71/856381071.db2.gz FPIUHQNUXNDUCP-YPAWHYETSA-N 2 1 385.596 3.771 20 0 GHADMP c1ccc(C(OCC[NH+]2CCN(CC[NH+]3CCCC3)CC2)c2ccccc2)cc1 ZINC000046063133 856461164 /nfs/dbraw/zinc/46/11/64/856461164.db2.gz XJNVDBHUOUJGAX-UHFFFAOYSA-N 2 1 393.575 3.506 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485405404 856463102 /nfs/dbraw/zinc/46/31/02/856463102.db2.gz QUFFBJZLUVJBSM-JLMWRMLUSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485405404 856463111 /nfs/dbraw/zinc/46/31/11/856463111.db2.gz QUFFBJZLUVJBSM-JLMWRMLUSA-N 2 1 397.950 3.946 20 0 GHADMP C[N@@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605148884 862832492 /nfs/dbraw/zinc/83/24/92/862832492.db2.gz LDVHZXDHTYNZMA-RHSMWYFYSA-N 2 1 389.425 3.894 20 0 GHADMP C[N@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605148884 862832504 /nfs/dbraw/zinc/83/25/04/862832504.db2.gz LDVHZXDHTYNZMA-RHSMWYFYSA-N 2 1 389.425 3.894 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465909966 856893216 /nfs/dbraw/zinc/89/32/16/856893216.db2.gz YOZCBSGTABBEIH-RMJJICAUSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465909966 856893229 /nfs/dbraw/zinc/89/32/29/856893229.db2.gz YOZCBSGTABBEIH-RMJJICAUSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465909966 856893232 /nfs/dbraw/zinc/89/32/32/856893232.db2.gz YOZCBSGTABBEIH-RMJJICAUSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)cc1 ZINC000592484311 856894026 /nfs/dbraw/zinc/89/40/26/856894026.db2.gz BZEXTALIARATAM-SIKLNZKXSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000592484311 856894068 /nfs/dbraw/zinc/89/40/68/856894068.db2.gz BZEXTALIARATAM-SIKLNZKXSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000592484311 856894073 /nfs/dbraw/zinc/89/40/73/856894073.db2.gz BZEXTALIARATAM-SIKLNZKXSA-N 2 1 398.595 3.877 20 0 GHADMP O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000625737977 856913436 /nfs/dbraw/zinc/91/34/36/856913436.db2.gz HCBACENMUCLLKV-TZRRMPRUSA-N 2 1 395.591 3.622 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000921928528 857147042 /nfs/dbraw/zinc/14/70/42/857147042.db2.gz VAGCZBDSXVQRJM-KNQAVFIVSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665257744 857170731 /nfs/dbraw/zinc/17/07/31/857170731.db2.gz SSURQQSDRCOFLV-XTFFSAJJSA-N 2 1 381.539 3.771 20 0 GHADMP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000173879446 857174298 /nfs/dbraw/zinc/17/42/98/857174298.db2.gz HVOOHCVDZUXMCY-CEXWTWQISA-N 2 1 398.551 3.927 20 0 GHADMP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000173879446 857174302 /nfs/dbraw/zinc/17/43/02/857174302.db2.gz HVOOHCVDZUXMCY-CEXWTWQISA-N 2 1 398.551 3.927 20 0 GHADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000429248013 857215753 /nfs/dbraw/zinc/21/57/53/857215753.db2.gz LIJXVNUPGHYWSK-GOSISDBHSA-N 2 1 392.906 3.756 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000429248013 857215763 /nfs/dbraw/zinc/21/57/63/857215763.db2.gz LIJXVNUPGHYWSK-GOSISDBHSA-N 2 1 392.906 3.756 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000246232168 857319462 /nfs/dbraw/zinc/31/94/62/857319462.db2.gz UJPCJDOSFSREOV-FHWLQOOXSA-N 2 1 398.551 3.927 20 0 GHADMP COc1cc(OC)c(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c(OC)c1 ZINC000675487884 857450069 /nfs/dbraw/zinc/45/00/69/857450069.db2.gz SJEAMAAIAZIBPU-GOSISDBHSA-N 2 1 376.541 3.766 20 0 GHADMP COc1cc(OC)c(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c(OC)c1 ZINC000675487884 857450071 /nfs/dbraw/zinc/45/00/71/857450071.db2.gz SJEAMAAIAZIBPU-GOSISDBHSA-N 2 1 376.541 3.766 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCCCCN2C(=O)C=CC2=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012945 857450484 /nfs/dbraw/zinc/45/04/84/857450484.db2.gz FZRRIBCBGVTGAT-VTYHHJSWSA-N 2 1 397.563 3.503 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555555 857465213 /nfs/dbraw/zinc/46/52/13/857465213.db2.gz LOBVYZQNVWMFLU-SLFFLAALSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555555 857465217 /nfs/dbraw/zinc/46/52/17/857465217.db2.gz LOBVYZQNVWMFLU-SLFFLAALSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555555 857465222 /nfs/dbraw/zinc/46/52/22/857465222.db2.gz LOBVYZQNVWMFLU-SLFFLAALSA-N 2 1 392.975 3.649 20 0 GHADMP Cc1cc(C)cc(OCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000671720223 857469507 /nfs/dbraw/zinc/46/95/07/857469507.db2.gz NHELUYGJSYISFB-XMMPIXPASA-N 2 1 393.575 3.574 20 0 GHADMP Cc1cc(C)cc(OCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000671720223 857469510 /nfs/dbraw/zinc/46/95/10/857469510.db2.gz NHELUYGJSYISFB-XMMPIXPASA-N 2 1 393.575 3.574 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000521000844 857477069 /nfs/dbraw/zinc/47/70/69/857477069.db2.gz OVMUAQZAGVMMLW-GBXCKJPGSA-N 2 1 391.559 3.850 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OCC)cc32)[C@@H](C)C1 ZINC000675885255 857660226 /nfs/dbraw/zinc/66/02/26/857660226.db2.gz NEAUCYIHKHAVLR-DZFGPLHGSA-N 2 1 376.541 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OCC)cc32)[C@@H](C)C1 ZINC000675885255 857660231 /nfs/dbraw/zinc/66/02/31/857660231.db2.gz NEAUCYIHKHAVLR-DZFGPLHGSA-N 2 1 376.541 3.636 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000064229427 857687105 /nfs/dbraw/zinc/68/71/05/857687105.db2.gz VANYJUHOMYSGGA-UHFFFAOYSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000521196656 857740183 /nfs/dbraw/zinc/74/01/83/857740183.db2.gz RWIDMYYGTPHFPM-CYBMUJFWSA-N 2 1 384.351 3.729 20 0 GHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000521196656 857740190 /nfs/dbraw/zinc/74/01/90/857740190.db2.gz RWIDMYYGTPHFPM-CYBMUJFWSA-N 2 1 384.351 3.729 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000907796372 857783145 /nfs/dbraw/zinc/78/31/45/857783145.db2.gz MBYYHKXHKDNZCY-UHFFFAOYSA-N 2 1 378.476 3.678 20 0 GHADMP CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676403148 857865878 /nfs/dbraw/zinc/86/58/78/857865878.db2.gz FGUUKCVOITUHMN-FQEVSTJZSA-N 2 1 399.579 3.779 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451821 857890772 /nfs/dbraw/zinc/89/07/72/857890772.db2.gz OOBLVSSFHSOWIB-FSSWDIPSSA-N 2 1 394.563 3.910 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451821 857890777 /nfs/dbraw/zinc/89/07/77/857890777.db2.gz OOBLVSSFHSOWIB-FSSWDIPSSA-N 2 1 394.563 3.910 20 0 GHADMP CCOc1cc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)ccc1OC(F)F ZINC000574458843 857899764 /nfs/dbraw/zinc/89/97/64/857899764.db2.gz YPZZUWOMCVMWTM-UHFFFAOYSA-N 2 1 376.447 3.964 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466028861 857901945 /nfs/dbraw/zinc/90/19/45/857901945.db2.gz YQLPFWOYGUOHDQ-CVDCTZTESA-N 2 1 398.595 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466028860 857902282 /nfs/dbraw/zinc/90/22/82/857902282.db2.gz YQLPFWOYGUOHDQ-AUSIDOKSSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594095292 857932987 /nfs/dbraw/zinc/93/29/87/857932987.db2.gz UACJQZPUWCZTDE-NFBKMPQASA-N 2 1 398.595 3.831 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)[C@H](C)C1 ZINC000676541214 857933300 /nfs/dbraw/zinc/93/33/00/857933300.db2.gz PSQRFWFNGODJTA-FCEUIQTBSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1)c1ccco1 ZINC000673011399 858021256 /nfs/dbraw/zinc/02/12/56/858021256.db2.gz WBFXBBIYXKDPSA-QFBILLFUSA-N 2 1 399.539 3.512 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000574533026 858048251 /nfs/dbraw/zinc/04/82/51/858048251.db2.gz XLFDLUHLDLZAHS-UHFFFAOYSA-N 2 1 394.357 3.559 20 0 GHADMP CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccc(C[NH+](C)C)cc1 ZINC000521601563 858147476 /nfs/dbraw/zinc/14/74/76/858147476.db2.gz DFWURIPZFVGPFB-UHFFFAOYSA-N 2 1 392.503 3.889 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1(C)C ZINC000442869556 858187097 /nfs/dbraw/zinc/18/70/97/858187097.db2.gz BWBSBGSROURHDN-OAQYLSRUSA-N 2 1 386.971 3.634 20 0 GHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2cc(Br)ccc2o1 ZINC000442877661 858199810 /nfs/dbraw/zinc/19/98/10/858199810.db2.gz RMWFSLAQTAPWLH-AWEZNQCLSA-N 2 1 394.357 3.872 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1OC ZINC000443057603 858343326 /nfs/dbraw/zinc/34/33/26/858343326.db2.gz HIAIIASOQLDZFN-HNNXBMFYSA-N 2 1 375.538 3.778 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443103962 858362187 /nfs/dbraw/zinc/36/21/87/858362187.db2.gz RLJRZEIKBNPSKI-COPCDDAFSA-N 2 1 375.601 3.943 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc(C[N@H+](C)[C@@H]4CCSC4)n3)cc2)CC1 ZINC000443216368 858479921 /nfs/dbraw/zinc/47/99/21/858479921.db2.gz NQMGFYQEIHHHBJ-LJQANCHMSA-N 2 1 386.565 3.906 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc(C[N@@H+](C)[C@@H]4CCSC4)n3)cc2)CC1 ZINC000443216368 858479929 /nfs/dbraw/zinc/47/99/29/858479929.db2.gz NQMGFYQEIHHHBJ-LJQANCHMSA-N 2 1 386.565 3.906 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)CC2)cc1 ZINC000657309317 858483279 /nfs/dbraw/zinc/48/32/79/858483279.db2.gz LMLUOJROPVTNMK-DEOSSOPVSA-N 2 1 380.532 3.651 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000508418276 858519872 /nfs/dbraw/zinc/51/98/72/858519872.db2.gz AMNWEJBTJZDYBR-QUCCMNQESA-N 2 1 394.629 3.891 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019245 858766909 /nfs/dbraw/zinc/76/69/09/858766909.db2.gz HZDAROACMMQUQJ-JHDGKUDLSA-N 2 1 391.559 3.997 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000676716226 858775246 /nfs/dbraw/zinc/77/52/46/858775246.db2.gz SIZQJNZCAHJBPT-PWRODBHTSA-N 2 1 387.568 3.514 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657430881 858783005 /nfs/dbraw/zinc/78/30/05/858783005.db2.gz VYGPPFZEINLFOJ-JOCHJYFZSA-N 2 1 393.556 3.975 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCCOC2CCCCC2)cc1 ZINC000183678237 858794810 /nfs/dbraw/zinc/79/48/10/858794810.db2.gz FHKWXGBOXKPHLF-GOSISDBHSA-N 2 1 398.551 3.687 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000183688012 858798070 /nfs/dbraw/zinc/79/80/70/858798070.db2.gz VAMIRRZMVOIROR-ROUUACIJSA-N 2 1 376.504 3.845 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C\c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547759 881360053 /nfs/dbraw/zinc/36/00/53/881360053.db2.gz DBCRVOZKHMDDEZ-BBIZLLLXSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547759 881360070 /nfs/dbraw/zinc/36/00/70/881360070.db2.gz DBCRVOZKHMDDEZ-BBIZLLLXSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547759 881360087 /nfs/dbraw/zinc/36/00/87/881360087.db2.gz DBCRVOZKHMDDEZ-BBIZLLLXSA-N 2 1 387.474 3.978 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc4cnccc43)C2)ccn1 ZINC000856550276 881364772 /nfs/dbraw/zinc/36/47/72/881364772.db2.gz BKHKJCZFFYUCEE-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc4cnccc43)C2)ccn1 ZINC000856550276 881364794 /nfs/dbraw/zinc/36/47/94/881364794.db2.gz BKHKJCZFFYUCEE-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc4cnccc43)C2)ccn1 ZINC000856550276 881364816 /nfs/dbraw/zinc/36/48/16/881364816.db2.gz BKHKJCZFFYUCEE-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CN(CC[N@@H+](C)Cc1cc2cc(Br)ccc2o1)C1CC[NH+](C)CC1 ZINC000668158504 858977629 /nfs/dbraw/zinc/97/76/29/858977629.db2.gz VHBBLNMZYRTTJG-UHFFFAOYSA-N 2 1 394.357 3.653 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429686621 859005227 /nfs/dbraw/zinc/00/52/27/859005227.db2.gz OZXDARJNVROVCE-GPXOXTDOSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429686621 859005235 /nfs/dbraw/zinc/00/52/35/859005235.db2.gz OZXDARJNVROVCE-GPXOXTDOSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429686621 859005241 /nfs/dbraw/zinc/00/52/41/859005241.db2.gz OZXDARJNVROVCE-GPXOXTDOSA-N 2 1 399.623 3.864 20 0 GHADMP c1nc(C2C[NH2+]C2)c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn12 ZINC001170331276 881371699 /nfs/dbraw/zinc/37/16/99/881371699.db2.gz PMJQHUISUAQPKR-DKUWSORSSA-N 2 1 387.531 3.629 20 0 GHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn12 ZINC001170331276 881371717 /nfs/dbraw/zinc/37/17/17/881371717.db2.gz PMJQHUISUAQPKR-DKUWSORSSA-N 3 1 387.531 3.629 20 0 GHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn12 ZINC001170331276 881371730 /nfs/dbraw/zinc/37/17/30/881371730.db2.gz PMJQHUISUAQPKR-DKUWSORSSA-N 3 1 387.531 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368562471 859022460 /nfs/dbraw/zinc/02/24/60/859022460.db2.gz PEAKTQXMGJAXEA-MFKWGIFDSA-N 2 1 377.573 3.771 20 0 GHADMP COc1c(Br)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1Br ZINC000389056773 859034449 /nfs/dbraw/zinc/03/44/49/859034449.db2.gz IHDQVCSLKJCSTE-JTQLQIEISA-N 2 1 394.151 3.508 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185684360 859115579 /nfs/dbraw/zinc/11/55/79/859115579.db2.gz YTJHTXZSMIVPCC-CABCVRRESA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684360 859115590 /nfs/dbraw/zinc/11/55/90/859115590.db2.gz YTJHTXZSMIVPCC-CABCVRRESA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679930 859115939 /nfs/dbraw/zinc/11/59/39/859115939.db2.gz WQRJYELAKBPURS-RYRKJORJSA-N 2 1 377.960 3.587 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679930 859115943 /nfs/dbraw/zinc/11/59/43/859115943.db2.gz WQRJYELAKBPURS-RYRKJORJSA-N 2 1 377.960 3.587 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(C4CCC4)s3)C2)ccn1 ZINC000856553711 881387498 /nfs/dbraw/zinc/38/74/98/881387498.db2.gz OAUOKBUFRFXXOH-LJQANCHMSA-N 2 1 386.565 3.911 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(C4CCC4)s3)C2)ccn1 ZINC000856553711 881387522 /nfs/dbraw/zinc/38/75/22/881387522.db2.gz OAUOKBUFRFXXOH-LJQANCHMSA-N 2 1 386.565 3.911 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(C4CCC4)s3)C2)ccn1 ZINC000856553711 881387540 /nfs/dbraw/zinc/38/75/40/881387540.db2.gz OAUOKBUFRFXXOH-LJQANCHMSA-N 2 1 386.565 3.911 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(OC)c(OC)cc3C)C2)ccn1 ZINC000856554338 881388655 /nfs/dbraw/zinc/38/86/55/881388655.db2.gz RAZXQQZTIUAFIC-OAQYLSRUSA-N 2 1 399.535 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3C)C2)ccn1 ZINC000856554338 881388729 /nfs/dbraw/zinc/38/87/29/881388729.db2.gz RAZXQQZTIUAFIC-OAQYLSRUSA-N 2 1 399.535 3.512 20 0 GHADMP OC(C[NH+]1CC[C@H](c2ccc(F)cc2)C1)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483114041 859158779 /nfs/dbraw/zinc/15/87/79/859158779.db2.gz VRVYXEZFNICAFD-PMACEKPBSA-N 2 1 386.486 3.605 20 0 GHADMP OC(C[NH+]1CC[C@H](c2ccc(F)cc2)C1)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483114041 859158783 /nfs/dbraw/zinc/15/87/83/859158783.db2.gz VRVYXEZFNICAFD-PMACEKPBSA-N 2 1 386.486 3.605 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3C)C2)ccn1 ZINC000856554338 881388795 /nfs/dbraw/zinc/38/87/95/881388795.db2.gz RAZXQQZTIUAFIC-OAQYLSRUSA-N 2 1 399.535 3.512 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nnn1-c1ccccc1 ZINC000483198261 859207417 /nfs/dbraw/zinc/20/74/17/859207417.db2.gz LFVVIQKHHRTJIC-KRWDZBQOSA-N 2 1 376.508 3.599 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000081126507 859217461 /nfs/dbraw/zinc/21/74/61/859217461.db2.gz SPPXJIYYEAPFBZ-HSZRJFAPSA-N 2 1 377.532 3.629 20 0 GHADMP COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000483360304 859310893 /nfs/dbraw/zinc/31/08/93/859310893.db2.gz VJOCEVHSQRAMGM-JKSUJKDBSA-N 2 1 379.570 3.511 20 0 GHADMP COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000483360304 859310906 /nfs/dbraw/zinc/31/09/06/859310906.db2.gz VJOCEVHSQRAMGM-JKSUJKDBSA-N 2 1 379.570 3.511 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483412881 859348190 /nfs/dbraw/zinc/34/81/90/859348190.db2.gz XJAMDJYCSQEVRR-MRXNPFEDSA-N 2 1 399.501 3.559 20 0 GHADMP O[C@H](COc1ccccc1F)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466904 859393863 /nfs/dbraw/zinc/39/38/63/859393863.db2.gz BTLOQEZIMRBIEX-FUPPJEDESA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466904 859393876 /nfs/dbraw/zinc/39/38/76/859393876.db2.gz BTLOQEZIMRBIEX-FUPPJEDESA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466904 859393885 /nfs/dbraw/zinc/39/38/85/859393885.db2.gz BTLOQEZIMRBIEX-FUPPJEDESA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483466904 859393892 /nfs/dbraw/zinc/39/38/92/859393892.db2.gz BTLOQEZIMRBIEX-FUPPJEDESA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466904 859393904 /nfs/dbraw/zinc/39/39/04/859393904.db2.gz BTLOQEZIMRBIEX-FUPPJEDESA-N 2 1 398.522 3.552 20 0 GHADMP COc1cc(C)ccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856560047 881440623 /nfs/dbraw/zinc/44/06/23/881440623.db2.gz UTNLHOOFFIVLDU-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856560047 881440629 /nfs/dbraw/zinc/44/06/29/881440629.db2.gz UTNLHOOFFIVLDU-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856560047 881440633 /nfs/dbraw/zinc/44/06/33/881440633.db2.gz UTNLHOOFFIVLDU-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1C ZINC000856559198 881438723 /nfs/dbraw/zinc/43/87/23/881438723.db2.gz NXKKSLSLTVVOMG-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1C ZINC000856559198 881438727 /nfs/dbraw/zinc/43/87/27/881438727.db2.gz NXKKSLSLTVVOMG-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1C ZINC000856559198 881438733 /nfs/dbraw/zinc/43/87/33/881438733.db2.gz NXKKSLSLTVVOMG-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)CC(C)C ZINC000764777346 859607300 /nfs/dbraw/zinc/60/73/00/859607300.db2.gz SYHGOJVJDQWLQL-JBACZVJFSA-N 2 1 375.557 3.790 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)CC(C)C ZINC000764777346 859607308 /nfs/dbraw/zinc/60/73/08/859607308.db2.gz SYHGOJVJDQWLQL-JBACZVJFSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H]1CC([NH2+]Cc2ccc(-n3cccn3)nc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168030697 859639368 /nfs/dbraw/zinc/63/93/68/859639368.db2.gz WOLVERXICAOLGD-OALUTQOASA-N 2 1 375.520 3.799 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnn(C(C)(C)C)c3)C2)ccn1 ZINC000856560911 881454574 /nfs/dbraw/zinc/45/45/74/881454574.db2.gz KNZFDLDHJZMEIO-NRFANRHFSA-N 2 1 385.556 3.527 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)ccn1 ZINC000856560911 881454584 /nfs/dbraw/zinc/45/45/84/881454584.db2.gz KNZFDLDHJZMEIO-NRFANRHFSA-N 2 1 385.556 3.527 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnn(C(C)(C)C)c3)C2)ccn1 ZINC000856560911 881454595 /nfs/dbraw/zinc/45/45/95/881454595.db2.gz KNZFDLDHJZMEIO-NRFANRHFSA-N 2 1 385.556 3.527 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccncc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032541 859782199 /nfs/dbraw/zinc/78/21/99/859782199.db2.gz HWJXKLHNYDTYRT-KZTDQWPFSA-N 2 1 378.564 3.687 20 0 GHADMP CCc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000161964703 859815689 /nfs/dbraw/zinc/81/56/89/859815689.db2.gz JXGFZRZQGSGXHC-UHFFFAOYSA-N 2 1 395.547 3.794 20 0 GHADMP CCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000161964703 859815693 /nfs/dbraw/zinc/81/56/93/859815693.db2.gz JXGFZRZQGSGXHC-UHFFFAOYSA-N 2 1 395.547 3.794 20 0 GHADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484125764 859816312 /nfs/dbraw/zinc/81/63/12/859816312.db2.gz BPKLFHKGULVAOP-IFMALSPDSA-N 2 1 390.474 3.966 20 0 GHADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484125764 859816316 /nfs/dbraw/zinc/81/63/16/859816316.db2.gz BPKLFHKGULVAOP-IFMALSPDSA-N 2 1 390.474 3.966 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607789 859858240 /nfs/dbraw/zinc/85/82/40/859858240.db2.gz YIIJEVAQOMHYNC-RDJZCZTQSA-N 2 1 395.473 3.802 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607789 859858248 /nfs/dbraw/zinc/85/82/48/859858248.db2.gz YIIJEVAQOMHYNC-RDJZCZTQSA-N 2 1 395.473 3.802 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000493607789 859858260 /nfs/dbraw/zinc/85/82/60/859858260.db2.gz YIIJEVAQOMHYNC-RDJZCZTQSA-N 2 1 395.473 3.802 20 0 GHADMP C[C@@H]1CC(N[C@@H]2CC[N@@H+](CC3CCOCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168035129 860119235 /nfs/dbraw/zinc/11/92/35/860119235.db2.gz RNFIIVMDXHQRGX-TXTKFYIRSA-N 2 1 385.596 3.519 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1)CC1CC1 ZINC000474468969 860151109 /nfs/dbraw/zinc/15/11/09/860151109.db2.gz NFCONWUKLCGBDX-UHFFFAOYSA-N 2 1 387.593 3.934 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cs2)c1 ZINC000602876666 860331375 /nfs/dbraw/zinc/33/13/75/860331375.db2.gz IKSKRPIYTDEDDI-UHFFFAOYSA-N 2 1 385.533 3.514 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474562197 860352941 /nfs/dbraw/zinc/35/29/41/860352941.db2.gz SAZMJBTVEXLBSF-GKJHBJHPSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474562197 860352948 /nfs/dbraw/zinc/35/29/48/860352948.db2.gz SAZMJBTVEXLBSF-GKJHBJHPSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474562197 860352957 /nfs/dbraw/zinc/35/29/57/860352957.db2.gz SAZMJBTVEXLBSF-GKJHBJHPSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474562197 860352963 /nfs/dbraw/zinc/35/29/63/860352963.db2.gz SAZMJBTVEXLBSF-GKJHBJHPSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000765662081 860389791 /nfs/dbraw/zinc/38/97/91/860389791.db2.gz OBEZSLAJEQWECQ-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000765662081 860389801 /nfs/dbraw/zinc/38/98/01/860389801.db2.gz OBEZSLAJEQWECQ-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469819544 860492199 /nfs/dbraw/zinc/49/21/99/860492199.db2.gz WILYLJYZQSVWBQ-UHFFFAOYSA-N 2 1 385.418 3.561 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000655780389 860597436 /nfs/dbraw/zinc/59/74/36/860597436.db2.gz YAPLTQPYSMGEPV-ALOPSCKCSA-N 2 1 389.341 3.658 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000655780389 860597438 /nfs/dbraw/zinc/59/74/38/860597438.db2.gz YAPLTQPYSMGEPV-ALOPSCKCSA-N 2 1 389.341 3.658 20 0 GHADMP Cc1cccc(OCC[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856600383 881574455 /nfs/dbraw/zinc/57/44/55/881574455.db2.gz ZBXCPAHKCFHJSR-HSZRJFAPSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1cccc(OCC[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856600383 881574487 /nfs/dbraw/zinc/57/44/87/881574487.db2.gz ZBXCPAHKCFHJSR-HSZRJFAPSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856600383 881574506 /nfs/dbraw/zinc/57/45/06/881574506.db2.gz ZBXCPAHKCFHJSR-HSZRJFAPSA-N 2 1 383.536 3.762 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494321211 881576668 /nfs/dbraw/zinc/57/66/68/881576668.db2.gz WKFQVVKEUJJICM-NHCUHLMSSA-N 2 1 393.522 3.725 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000494321211 881576681 /nfs/dbraw/zinc/57/66/81/881576681.db2.gz WKFQVVKEUJJICM-NHCUHLMSSA-N 2 1 393.522 3.725 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC1CC1 ZINC000623400307 861000772 /nfs/dbraw/zinc/00/07/72/861000772.db2.gz PHUPWCNPHPODDH-NRFANRHFSA-N 2 1 380.532 3.891 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000482857240 861029383 /nfs/dbraw/zinc/02/93/83/861029383.db2.gz LTTICAMGBNFRAA-HSZRJFAPSA-N 2 1 385.596 3.710 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000481327450 861068292 /nfs/dbraw/zinc/06/82/92/861068292.db2.gz HZFVMJTTWDGXNO-UHFFFAOYSA-N 2 1 378.564 3.609 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000623520959 861151806 /nfs/dbraw/zinc/15/18/06/861151806.db2.gz CCEBQJHPPGADHF-BJKOFHAPSA-N 2 1 391.559 3.523 20 0 GHADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000443990795 863114041 /nfs/dbraw/zinc/11/40/41/863114041.db2.gz RVWMALSFQCVBBE-SFHVURJKSA-N 2 1 392.465 3.509 20 0 GHADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477529 863187095 /nfs/dbraw/zinc/18/70/95/863187095.db2.gz LZVIOLJKBMROIV-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477529 863187101 /nfs/dbraw/zinc/18/71/01/863187101.db2.gz LZVIOLJKBMROIV-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477529 863187105 /nfs/dbraw/zinc/18/71/05/863187105.db2.gz LZVIOLJKBMROIV-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000281585794 863268686 /nfs/dbraw/zinc/26/86/86/863268686.db2.gz LLLLEBQYBVPKJU-SIKLNZKXSA-N 2 1 384.495 3.568 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000605988055 863328051 /nfs/dbraw/zinc/32/80/51/863328051.db2.gz KYJCJLDTGIIIGR-LEWJYISDSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)no2)cc1 ZINC000183145201 863485950 /nfs/dbraw/zinc/48/59/50/863485950.db2.gz RQVALTIIELJLAF-AWEZNQCLSA-N 2 1 381.480 3.756 20 0 GHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156538 863491715 /nfs/dbraw/zinc/49/17/15/863491715.db2.gz MTZLNGICSYBDIX-DLBZAZTESA-N 2 1 392.503 3.717 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499238071 881671240 /nfs/dbraw/zinc/67/12/40/881671240.db2.gz XIRYWDBAALJHJO-MOPGFXCFSA-N 2 1 380.536 3.875 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606540341 863672787 /nfs/dbraw/zinc/67/27/87/863672787.db2.gz JAIUXEFWFCYCIY-HOTGVXAUSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606540341 863672789 /nfs/dbraw/zinc/67/27/89/863672789.db2.gz JAIUXEFWFCYCIY-HOTGVXAUSA-N 2 1 387.351 3.683 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000856717991 881683409 /nfs/dbraw/zinc/68/34/09/881683409.db2.gz LYPGURPFCXMEHE-DHIUTWEWSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000856717991 881683421 /nfs/dbraw/zinc/68/34/21/881683421.db2.gz LYPGURPFCXMEHE-DHIUTWEWSA-N 2 1 377.532 3.500 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000606635466 863725966 /nfs/dbraw/zinc/72/59/66/863725966.db2.gz HVPPNCKPBMPMMS-MOPGFXCFSA-N 2 1 386.584 3.591 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[NH+](CCc4cccs4)CC3)ccc21 ZINC000455932522 863791883 /nfs/dbraw/zinc/79/18/83/863791883.db2.gz PYVUSUPMZGMAQX-NRFANRHFSA-N 2 1 398.576 3.689 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554214400 863904112 /nfs/dbraw/zinc/90/41/12/863904112.db2.gz QCPFLDDDNBQBPL-PXNSSMCTSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](C(=O)N3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053492 863916299 /nfs/dbraw/zinc/91/62/99/863916299.db2.gz OQJUWUDXUPWNKU-MQFRRQCYSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053492 863916311 /nfs/dbraw/zinc/91/63/11/863916311.db2.gz OQJUWUDXUPWNKU-MQFRRQCYSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053492 863916323 /nfs/dbraw/zinc/91/63/23/863916323.db2.gz OQJUWUDXUPWNKU-MQFRRQCYSA-N 2 1 383.580 3.762 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)NC3CC[NH+](C4CC4)CC3)sc2c1)C1CC1 ZINC000667611262 863966518 /nfs/dbraw/zinc/96/65/18/863966518.db2.gz IFOSVGUNHWWHHN-UHFFFAOYSA-N 2 1 399.564 3.639 20 0 GHADMP C[C@@H]1CC([N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054796 863985081 /nfs/dbraw/zinc/98/50/81/863985081.db2.gz BIGSYZJWMWVELE-CBGDNZLLSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1CC([N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054796 863985088 /nfs/dbraw/zinc/98/50/88/863985088.db2.gz BIGSYZJWMWVELE-CBGDNZLLSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000158912789 863987970 /nfs/dbraw/zinc/98/79/70/863987970.db2.gz XVAGQFHBHYXBMD-XTDOFWJNSA-N 2 1 398.378 3.975 20 0 GHADMP C[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172806085 864008320 /nfs/dbraw/zinc/00/83/20/864008320.db2.gz YDTGAIAELZXKIH-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172806085 864008333 /nfs/dbraw/zinc/00/83/33/864008333.db2.gz YDTGAIAELZXKIH-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000159109321 864034972 /nfs/dbraw/zinc/03/49/72/864034972.db2.gz FCGGKZADIAJYOL-GOSISDBHSA-N 2 1 397.357 3.753 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000856765713 881730475 /nfs/dbraw/zinc/73/04/75/881730475.db2.gz LBVFSMOXSQXBFI-DEOSSOPVSA-N 2 1 391.559 3.844 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)c2)C1 ZINC000856765713 881730484 /nfs/dbraw/zinc/73/04/84/881730484.db2.gz LBVFSMOXSQXBFI-DEOSSOPVSA-N 2 1 391.559 3.844 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c2)C1 ZINC000856765713 881730487 /nfs/dbraw/zinc/73/04/87/881730487.db2.gz LBVFSMOXSQXBFI-DEOSSOPVSA-N 2 1 391.559 3.844 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000621642518 864346091 /nfs/dbraw/zinc/34/60/91/864346091.db2.gz PJQFDEZTJXSLST-RXVVDRJESA-N 2 1 397.588 3.744 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000621642518 864346103 /nfs/dbraw/zinc/34/61/03/864346103.db2.gz PJQFDEZTJXSLST-RXVVDRJESA-N 2 1 397.588 3.744 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000621647033 864348668 /nfs/dbraw/zinc/34/86/68/864348668.db2.gz BTFJURLTJPKSBO-FXAWDEMLSA-N 2 1 377.960 3.591 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000856814098 881767528 /nfs/dbraw/zinc/76/75/28/881767528.db2.gz XRKZGCKMHISGOK-NLWGTHIKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000856814098 881767543 /nfs/dbraw/zinc/76/75/43/881767543.db2.gz XRKZGCKMHISGOK-NLWGTHIKSA-N 2 1 375.557 3.932 20 0 GHADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000159242812 864440022 /nfs/dbraw/zinc/44/00/22/864440022.db2.gz SSRLAZBRRUNKIK-DHIUTWEWSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000159242812 864440031 /nfs/dbraw/zinc/44/00/31/864440031.db2.gz SSRLAZBRRUNKIK-DHIUTWEWSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000159242812 864440038 /nfs/dbraw/zinc/44/00/38/864440038.db2.gz SSRLAZBRRUNKIK-DHIUTWEWSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000159242812 864440043 /nfs/dbraw/zinc/44/00/43/864440043.db2.gz SSRLAZBRRUNKIK-DHIUTWEWSA-N 2 1 377.532 3.533 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000166682310 864748563 /nfs/dbraw/zinc/74/85/63/864748563.db2.gz HQDLJYLSIPDKIV-KGLIPLIRSA-N 2 1 388.313 3.879 20 0 GHADMP CC(C)(C)[C@H](COc1ccccc1F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655711309 864938143 /nfs/dbraw/zinc/93/81/43/864938143.db2.gz HCMWSVFSXDFCHR-NQIIRXRSSA-N 2 1 378.532 3.852 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(Oc3ncccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168064930 865045441 /nfs/dbraw/zinc/04/54/41/865045441.db2.gz SMTYBYUYFAYAFI-CEQLMSFQSA-N 2 1 380.536 3.761 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000667734965 865141271 /nfs/dbraw/zinc/14/12/71/865141271.db2.gz CTYQSRXSZCYTIM-VQTJNVASSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000667734965 865141277 /nfs/dbraw/zinc/14/12/77/865141277.db2.gz CTYQSRXSZCYTIM-VQTJNVASSA-N 2 1 388.462 3.769 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)o1 ZINC000608254024 865159192 /nfs/dbraw/zinc/15/91/92/865159192.db2.gz QNDGJDRXTKEZEC-IBGZPJMESA-N 2 1 383.536 3.858 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000554962112 865222955 /nfs/dbraw/zinc/22/29/55/865222955.db2.gz ZRFYSZCQAOBOHH-UWXQAFAOSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000554962112 865222965 /nfs/dbraw/zinc/22/29/65/865222965.db2.gz ZRFYSZCQAOBOHH-UWXQAFAOSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000554962112 865222976 /nfs/dbraw/zinc/22/29/76/865222976.db2.gz ZRFYSZCQAOBOHH-UWXQAFAOSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000554962112 865222989 /nfs/dbraw/zinc/22/29/89/865222989.db2.gz ZRFYSZCQAOBOHH-UWXQAFAOSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000554962112 865223005 /nfs/dbraw/zinc/22/30/05/865223005.db2.gz ZRFYSZCQAOBOHH-UWXQAFAOSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387270 865235404 /nfs/dbraw/zinc/23/54/04/865235404.db2.gz MJDRXRNTYHSVDU-ZWKOTPCHSA-N 2 1 383.536 3.806 20 0 GHADMP CC[NH+]1CCC(N(C)c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000301273175 865258375 /nfs/dbraw/zinc/25/83/75/865258375.db2.gz OEGIABGBIBIXMW-UHFFFAOYSA-N 2 1 387.597 3.824 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133017011 881867471 /nfs/dbraw/zinc/86/74/71/881867471.db2.gz MHVGRSWTJKRXDO-OAQYLSRUSA-N 3 1 386.628 3.961 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301529075 865405685 /nfs/dbraw/zinc/40/56/85/865405685.db2.gz ONIAEMUMNJIIFH-UHFFFAOYSA-N 2 1 384.430 3.862 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000667760826 865424164 /nfs/dbraw/zinc/42/41/64/865424164.db2.gz XYDXQBNWFRYHII-MQSCRBSSSA-N 2 1 392.547 3.828 20 0 GHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C)cc3C[NH+](C)C)cc2F)CC1 ZINC000172132519 865499750 /nfs/dbraw/zinc/49/97/50/865499750.db2.gz CFXJZMQUYFLSQG-UHFFFAOYSA-N 2 1 398.526 3.590 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000738883173 865635887 /nfs/dbraw/zinc/63/58/87/865635887.db2.gz ZVDQKAHFGDFEFE-IOMROCGXSA-N 2 1 380.960 3.729 20 0 GHADMP COc1c[nH+]ccc1N1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000481075544 865763991 /nfs/dbraw/zinc/76/39/91/865763991.db2.gz SMYPYLXSMBGFJZ-UHFFFAOYSA-N 2 1 399.292 3.728 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000667816067 865813430 /nfs/dbraw/zinc/81/34/30/865813430.db2.gz VSLMQTXOLRLSDB-KSEOMHKRSA-N 2 1 378.520 3.568 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000533986205 865884572 /nfs/dbraw/zinc/88/45/72/865884572.db2.gz NHBCYSZSOCGBCP-IRMYBRCSSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000533986205 865884583 /nfs/dbraw/zinc/88/45/83/865884583.db2.gz NHBCYSZSOCGBCP-IRMYBRCSSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000533986205 865884594 /nfs/dbraw/zinc/88/45/94/865884594.db2.gz NHBCYSZSOCGBCP-IRMYBRCSSA-N 2 1 398.595 3.728 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494563379 881915536 /nfs/dbraw/zinc/91/55/36/881915536.db2.gz HNFZLYAGSIMWTB-RTBURBONSA-N 2 1 380.458 3.913 20 0 GHADMP CC[N@@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029826 865906239 /nfs/dbraw/zinc/90/62/39/865906239.db2.gz LZKAWUJWAPBVRM-UHFFFAOYSA-N 2 1 396.535 3.535 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000481170116 865913117 /nfs/dbraw/zinc/91/31/17/865913117.db2.gz CHUPIUCDAXAJSR-RXVVDRJESA-N 2 1 382.504 3.684 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000481170116 865913130 /nfs/dbraw/zinc/91/31/30/865913130.db2.gz CHUPIUCDAXAJSR-RXVVDRJESA-N 2 1 382.504 3.684 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCC1)c1ccccc1 ZINC000174891349 865952161 /nfs/dbraw/zinc/95/21/61/865952161.db2.gz SJNDDBYGWWVWRX-VEEZFSHISA-N 2 1 398.595 3.965 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)c2)cc1 ZINC000175013368 865964352 /nfs/dbraw/zinc/96/43/52/865964352.db2.gz MMKYLLDFTIKMSO-TZIWHRDSSA-N 2 1 381.520 3.910 20 0 GHADMP CC1(C)CCc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)ccc2O1 ZINC000740899061 866089998 /nfs/dbraw/zinc/08/99/98/866089998.db2.gz OVBTXFOACNCNSW-GOTSBHOMSA-N 2 1 394.559 3.763 20 0 GHADMP CC1(C)CCc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)ccc2O1 ZINC000740899061 866090015 /nfs/dbraw/zinc/09/00/15/866090015.db2.gz OVBTXFOACNCNSW-GOTSBHOMSA-N 2 1 394.559 3.763 20 0 GHADMP Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761169 866161219 /nfs/dbraw/zinc/16/12/19/866161219.db2.gz ZJTYTZBQKLJXBU-DOTOQJQBSA-N 2 1 397.633 3.549 20 0 GHADMP Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761169 866161228 /nfs/dbraw/zinc/16/12/28/866161228.db2.gz ZJTYTZBQKLJXBU-DOTOQJQBSA-N 2 1 397.633 3.549 20 0 GHADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183140825 866271868 /nfs/dbraw/zinc/27/18/68/866271868.db2.gz FCMGJVFOHISQBP-IQFVJIFQSA-N 2 1 380.532 3.619 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000620192977 866527033 /nfs/dbraw/zinc/52/70/33/866527033.db2.gz XJLOHKTUWFTTIN-QHCPKHFHSA-N 2 1 391.559 3.780 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000189761037 882001887 /nfs/dbraw/zinc/00/18/87/882001887.db2.gz MJOUTMGQVFBTEQ-MJGOQNOKSA-N 2 1 380.602 3.504 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000444588651 866910565 /nfs/dbraw/zinc/91/05/65/866910565.db2.gz FMKDVEPURQONFX-UWJYYQICSA-N 2 1 395.551 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000444588651 866910574 /nfs/dbraw/zinc/91/05/74/866910574.db2.gz FMKDVEPURQONFX-UWJYYQICSA-N 2 1 395.551 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000444596787 866920984 /nfs/dbraw/zinc/92/09/84/866920984.db2.gz XYHTTWZOPWDVJS-QGZVFWFLSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000444596787 866920995 /nfs/dbraw/zinc/92/09/95/866920995.db2.gz XYHTTWZOPWDVJS-QGZVFWFLSA-N 2 1 383.540 3.805 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1C ZINC000444584783 866928268 /nfs/dbraw/zinc/92/82/68/866928268.db2.gz VOKSXGWAPUDJTL-FVJLSDCUSA-N 2 1 383.540 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1C ZINC000444584783 866928281 /nfs/dbraw/zinc/92/82/81/866928281.db2.gz VOKSXGWAPUDJTL-FVJLSDCUSA-N 2 1 383.540 3.756 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000534609882 867134706 /nfs/dbraw/zinc/13/47/06/867134706.db2.gz OZEOGNVAAIKCNW-YJSIEXFISA-N 2 1 392.547 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000534609882 867134714 /nfs/dbraw/zinc/13/47/14/867134714.db2.gz OZEOGNVAAIKCNW-YJSIEXFISA-N 2 1 392.547 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000534609882 867134717 /nfs/dbraw/zinc/13/47/17/867134717.db2.gz OZEOGNVAAIKCNW-YJSIEXFISA-N 2 1 392.547 3.567 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479081020 867144571 /nfs/dbraw/zinc/14/45/71/867144571.db2.gz PEEMNJNIHJTZHU-HBFSDRIKSA-N 2 1 395.613 3.502 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553458787 867460637 /nfs/dbraw/zinc/46/06/37/867460637.db2.gz BYNZOCPGFBLOMV-RDGATRHJSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553458787 867460640 /nfs/dbraw/zinc/46/06/40/867460640.db2.gz BYNZOCPGFBLOMV-RDGATRHJSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553458787 867460645 /nfs/dbraw/zinc/46/06/45/867460645.db2.gz BYNZOCPGFBLOMV-RDGATRHJSA-N 2 1 395.591 3.766 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000479276677 867464305 /nfs/dbraw/zinc/46/43/05/867464305.db2.gz CHTKKBKDZFUJFG-MRXNPFEDSA-N 2 1 381.358 3.615 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000857174587 882085738 /nfs/dbraw/zinc/08/57/38/882085738.db2.gz JTHZMKNOKSCJHM-NYVOZVTQSA-N 2 1 383.580 3.879 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857174587 882085757 /nfs/dbraw/zinc/08/57/57/882085757.db2.gz JTHZMKNOKSCJHM-NYVOZVTQSA-N 2 1 383.580 3.879 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000857174587 882085776 /nfs/dbraw/zinc/08/57/76/882085776.db2.gz JTHZMKNOKSCJHM-NYVOZVTQSA-N 2 1 383.580 3.879 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523638049 867705499 /nfs/dbraw/zinc/70/54/99/867705499.db2.gz XKYXBHBFZDHVSH-NRFANRHFSA-N 2 1 383.561 3.797 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523638049 867705521 /nfs/dbraw/zinc/70/55/21/867705521.db2.gz XKYXBHBFZDHVSH-NRFANRHFSA-N 2 1 383.561 3.797 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)C3CCCCC3)cn2)CC1 ZINC000508516854 867731164 /nfs/dbraw/zinc/73/11/64/867731164.db2.gz TWBORNIJAJXNDU-UHFFFAOYSA-N 2 1 379.552 3.563 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)C3CCCCC3)cn2)CC1 ZINC000508516854 867731178 /nfs/dbraw/zinc/73/11/78/867731178.db2.gz TWBORNIJAJXNDU-UHFFFAOYSA-N 2 1 379.552 3.563 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463076 867807908 /nfs/dbraw/zinc/80/79/08/867807908.db2.gz IAZFYBIORHYGEV-QPPBQGQZSA-N 2 1 377.532 3.592 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000479678205 868355830 /nfs/dbraw/zinc/35/58/30/868355830.db2.gz RUKRCENMTLOKFQ-UHFFFAOYSA-N 2 1 377.838 3.619 20 0 GHADMP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156915053 868500968 /nfs/dbraw/zinc/50/09/68/868500968.db2.gz CUCFANPEVJUCLQ-RXVVDRJESA-N 2 1 395.547 3.552 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000457643912 868561997 /nfs/dbraw/zinc/56/19/97/868561997.db2.gz GKQDTCOHDPHIJS-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457643912 868562003 /nfs/dbraw/zinc/56/20/03/868562003.db2.gz GKQDTCOHDPHIJS-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000457643912 868562007 /nfs/dbraw/zinc/56/20/07/868562007.db2.gz GKQDTCOHDPHIJS-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]Cc3ccccc3C[N@@H+](C)Cc3ccco3)cnc2n1 ZINC000157112953 868563025 /nfs/dbraw/zinc/56/30/25/868563025.db2.gz IGWCPUKHPUAIHJ-UHFFFAOYSA-N 2 1 389.503 3.861 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000524155869 868624728 /nfs/dbraw/zinc/62/47/28/868624728.db2.gz ACSCUXZZDIRYRH-IBGZPJMESA-N 2 1 397.538 3.847 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000666044954 882214366 /nfs/dbraw/zinc/21/43/66/882214366.db2.gz AKFKHXZUXOMHLH-SFHVURJKSA-N 2 1 390.572 3.649 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394567770 882255649 /nfs/dbraw/zinc/25/56/49/882255649.db2.gz LZEKQJRMKFEDEV-LLVKDONJSA-N 2 1 376.136 3.643 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000524751276 869496186 /nfs/dbraw/zinc/49/61/86/869496186.db2.gz LBAILAQVJPYDDB-LPHOPBHVSA-N 2 1 380.374 3.610 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000524751276 869496191 /nfs/dbraw/zinc/49/61/91/869496191.db2.gz LBAILAQVJPYDDB-LPHOPBHVSA-N 2 1 380.374 3.610 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000190918013 882307041 /nfs/dbraw/zinc/30/70/41/882307041.db2.gz UBZASYGVVSDWLS-KRWDZBQOSA-N 2 1 381.307 3.626 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000190918013 882307059 /nfs/dbraw/zinc/30/70/59/882307059.db2.gz UBZASYGVVSDWLS-KRWDZBQOSA-N 2 1 381.307 3.626 20 0 GHADMP CCc1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)o2)cc1 ZINC000539823130 869854522 /nfs/dbraw/zinc/85/45/22/869854522.db2.gz RMBYZQRUNLHLDD-XXBNENTESA-N 2 1 381.564 3.967 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539894409 869979785 /nfs/dbraw/zinc/97/97/85/869979785.db2.gz MWADTCRWPREXBB-YPAWHYETSA-N 2 1 382.552 3.679 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000539894409 869979796 /nfs/dbraw/zinc/97/97/96/869979796.db2.gz MWADTCRWPREXBB-YPAWHYETSA-N 2 1 382.552 3.679 20 0 GHADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000462773913 870071429 /nfs/dbraw/zinc/07/14/29/870071429.db2.gz BQSBXNZRKOLLFZ-YLJYHZDGSA-N 2 1 383.536 3.510 20 0 GHADMP c1ccc(CCc2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000122012551 882378561 /nfs/dbraw/zinc/37/85/61/882378561.db2.gz WQQHVCBOQMBCLK-UHFFFAOYSA-N 2 1 382.552 3.943 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC(C)(C)CC[NH+]3CCCCCC3)CC2)[nH+]c1 ZINC000185744828 870217804 /nfs/dbraw/zinc/21/78/04/870217804.db2.gz GRZBQNFMPLTAJJ-UHFFFAOYSA-N 2 1 386.584 3.767 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000469989711 870243842 /nfs/dbraw/zinc/24/38/42/870243842.db2.gz DIGPDLNXUIVZNS-UKRRQHHQSA-N 2 1 377.330 3.502 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000461468016 870251387 /nfs/dbraw/zinc/25/13/87/870251387.db2.gz FXCLGHHSGPZXDV-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000461468016 870251403 /nfs/dbraw/zinc/25/14/03/870251403.db2.gz FXCLGHHSGPZXDV-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461468016 870251415 /nfs/dbraw/zinc/25/14/15/870251415.db2.gz FXCLGHHSGPZXDV-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000461468016 870251428 /nfs/dbraw/zinc/25/14/28/870251428.db2.gz FXCLGHHSGPZXDV-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000248040137 870268880 /nfs/dbraw/zinc/26/88/80/870268880.db2.gz SPEUJRCXKCCFMF-JXALWOEJSA-N 2 1 396.531 3.635 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000248040137 870268896 /nfs/dbraw/zinc/26/88/96/870268896.db2.gz SPEUJRCXKCCFMF-JXALWOEJSA-N 2 1 396.531 3.635 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000248040137 870268902 /nfs/dbraw/zinc/26/89/02/870268902.db2.gz SPEUJRCXKCCFMF-JXALWOEJSA-N 2 1 396.531 3.635 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000248118368 870289683 /nfs/dbraw/zinc/28/96/83/870289683.db2.gz MZTBXQHDFXNCNM-NFBKMPQASA-N 2 1 391.559 3.896 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000060238660 882399521 /nfs/dbraw/zinc/39/95/21/882399521.db2.gz SBWJBSIKPFONNF-DNQXCXABSA-N 2 1 391.559 3.913 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C ZINC000538718583 870407414 /nfs/dbraw/zinc/40/74/14/870407414.db2.gz AOTLMLVWRDKUNU-WIYYLYMNSA-N 2 1 383.536 3.974 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C ZINC000538718583 870407427 /nfs/dbraw/zinc/40/74/27/870407427.db2.gz AOTLMLVWRDKUNU-WIYYLYMNSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C ZINC000538718583 870407435 /nfs/dbraw/zinc/40/74/35/870407435.db2.gz AOTLMLVWRDKUNU-WIYYLYMNSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C ZINC000538718583 870407443 /nfs/dbraw/zinc/40/74/43/870407443.db2.gz AOTLMLVWRDKUNU-WIYYLYMNSA-N 2 1 383.536 3.974 20 0 GHADMP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248462158 870440774 /nfs/dbraw/zinc/44/07/74/870440774.db2.gz YAHADEGRSFLVOB-FYYLOGMGSA-N 2 1 380.532 3.874 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248574472 870505099 /nfs/dbraw/zinc/50/50/99/870505099.db2.gz SPPOWGWEGQIVET-SNRMKQJTSA-N 2 1 383.374 3.859 20 0 GHADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248574472 870505113 /nfs/dbraw/zinc/50/51/13/870505113.db2.gz SPPOWGWEGQIVET-SNRMKQJTSA-N 2 1 383.374 3.859 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248600619 870526691 /nfs/dbraw/zinc/52/66/91/870526691.db2.gz UZPZYRDLTLWIFA-YDZRNGNQSA-N 2 1 387.568 3.504 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248600619 870526705 /nfs/dbraw/zinc/52/67/05/870526705.db2.gz UZPZYRDLTLWIFA-YDZRNGNQSA-N 2 1 387.568 3.504 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620154 870546606 /nfs/dbraw/zinc/54/66/06/870546606.db2.gz ZZAGMIKGRYBFEF-IEZWGBDMSA-N 2 1 384.486 3.851 20 0 GHADMP COCCN(C)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000191312589 882419247 /nfs/dbraw/zinc/41/92/47/882419247.db2.gz PNDKTVFWAHZHMU-UHFFFAOYSA-N 2 1 396.579 3.508 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)[C@H](C)C1 ZINC000462959653 870580958 /nfs/dbraw/zinc/58/09/58/870580958.db2.gz VJXLBBFMVULBTF-RKVPGOIHSA-N 2 1 399.373 3.591 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)[C@H](C)C1 ZINC000462959653 870580968 /nfs/dbraw/zinc/58/09/68/870580968.db2.gz VJXLBBFMVULBTF-RKVPGOIHSA-N 2 1 399.373 3.591 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)[C@@H](C)C1 ZINC000462959651 870581334 /nfs/dbraw/zinc/58/13/34/870581334.db2.gz VJXLBBFMVULBTF-DAYGRLMNSA-N 2 1 399.373 3.591 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)[C@@H](C)C1 ZINC000462959651 870581339 /nfs/dbraw/zinc/58/13/39/870581339.db2.gz VJXLBBFMVULBTF-DAYGRLMNSA-N 2 1 399.373 3.591 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248699420 870595992 /nfs/dbraw/zinc/59/59/92/870595992.db2.gz MJOUTMGQVFBTEQ-IEBWSBKVSA-N 2 1 380.602 3.504 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000540161712 870625655 /nfs/dbraw/zinc/62/56/55/870625655.db2.gz USLOVJCXACJIEU-SLFFLAALSA-N 2 1 378.944 3.911 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000538797409 870625848 /nfs/dbraw/zinc/62/58/48/870625848.db2.gz DYDGQAJMMOXZNW-TUNNFDKTSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000538797409 870625855 /nfs/dbraw/zinc/62/58/55/870625855.db2.gz DYDGQAJMMOXZNW-TUNNFDKTSA-N 2 1 390.568 3.948 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000540161713 870626006 /nfs/dbraw/zinc/62/60/06/870626006.db2.gz USLOVJCXACJIEU-VAMGGRTRSA-N 2 1 378.944 3.911 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCS2 ZINC000248809499 870646118 /nfs/dbraw/zinc/64/61/18/870646118.db2.gz HJIKSFYZDKAHAD-VAMGGRTRSA-N 2 1 376.566 3.590 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC000248814676 870647246 /nfs/dbraw/zinc/64/72/46/870647246.db2.gz ADWKNBQBPNVGTQ-ISKFKSNPSA-N 2 1 380.532 3.856 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)cc1 ZINC001192908961 870763611 /nfs/dbraw/zinc/76/36/11/870763611.db2.gz ARXARIHWJASRTJ-IBGZPJMESA-N 2 1 380.454 3.802 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000463058721 870778890 /nfs/dbraw/zinc/77/88/90/870778890.db2.gz VPGAOSRRQBZENV-TUNNFDKTSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463058721 870778900 /nfs/dbraw/zinc/77/89/00/870778900.db2.gz VPGAOSRRQBZENV-TUNNFDKTSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463058721 870778905 /nfs/dbraw/zinc/77/89/05/870778905.db2.gz VPGAOSRRQBZENV-TUNNFDKTSA-N 2 1 388.600 3.801 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869951 870793422 /nfs/dbraw/zinc/79/34/22/870793422.db2.gz XWRZZVZPVKPGSE-FQEVSTJZSA-N 2 1 394.401 3.690 20 0 GHADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249381944 870818493 /nfs/dbraw/zinc/81/84/93/870818493.db2.gz SHHHFMZMZDRXCA-AQNXPRMDSA-N 2 1 395.547 3.803 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)C[C@@H](C)O1 ZINC000540244614 870845794 /nfs/dbraw/zinc/84/57/94/870845794.db2.gz CFIFDDVHQNRRDU-YVHKJVDXSA-N 2 1 392.971 3.918 20 0 GHADMP CN(CC[N@@H+](C)CCOc1ccc(Oc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC001168892533 870936140 /nfs/dbraw/zinc/93/61/40/870936140.db2.gz ABCPNDFOGZBZFK-UHFFFAOYSA-N 2 1 397.563 3.816 20 0 GHADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946084 870954686 /nfs/dbraw/zinc/95/46/86/870954686.db2.gz LHMYXDKGCHUHDN-SCCNAQOGSA-N 2 1 386.584 3.703 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1)CC1CC1 ZINC000538950335 870960802 /nfs/dbraw/zinc/96/08/02/870960802.db2.gz ZYKXQIOFCJCESP-UHFFFAOYSA-N 2 1 375.532 3.988 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC000463121859 870962651 /nfs/dbraw/zinc/96/26/51/870962651.db2.gz BHTULQXDZWOJON-VJBMBRPKSA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)ncn1 ZINC000463121859 870962663 /nfs/dbraw/zinc/96/26/63/870962663.db2.gz BHTULQXDZWOJON-VJBMBRPKSA-N 2 1 393.579 3.651 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463145788 870973955 /nfs/dbraw/zinc/97/39/55/870973955.db2.gz YOQUFDIPPFVOQV-OFNKIYASSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463145788 870973960 /nfs/dbraw/zinc/97/39/60/870973960.db2.gz YOQUFDIPPFVOQV-OFNKIYASSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463138032 870990941 /nfs/dbraw/zinc/99/09/41/870990941.db2.gz NXXBSVYOFFHDJG-IEZKXTBUSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000463138032 870990948 /nfs/dbraw/zinc/99/09/48/870990948.db2.gz NXXBSVYOFFHDJG-IEZKXTBUSA-N 2 1 393.575 3.530 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(N2CCOCC2)c1 ZINC000463203212 871177276 /nfs/dbraw/zinc/17/72/76/871177276.db2.gz DMEPPNVUQAUCKH-QPPBQGQZSA-N 2 1 393.575 3.974 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000539053416 871184327 /nfs/dbraw/zinc/18/43/27/871184327.db2.gz PWBPJKPVTWMBTA-WMZOPIPTSA-N 2 1 393.453 3.979 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000539085868 871231257 /nfs/dbraw/zinc/23/12/57/871231257.db2.gz YUOUGFSLPBRKKI-FXAWDEMLSA-N 2 1 380.511 3.755 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCc3ccccc3N1C(=O)OC(C)(C)C)C2 ZINC001169111840 871239443 /nfs/dbraw/zinc/23/94/43/871239443.db2.gz QFMMGKKMMNNEQK-YSTOQKLRSA-N 2 1 385.552 3.958 20 0 GHADMP Cc1cc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000539107239 871283412 /nfs/dbraw/zinc/28/34/12/871283412.db2.gz QNQIDUFDKKHDLS-OALUTQOASA-N 2 1 383.536 3.638 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(Cl)n2)CC1 ZINC000181632502 871326036 /nfs/dbraw/zinc/32/60/36/871326036.db2.gz MVUZMPKGGLBEIH-HNNXBMFYSA-N 2 1 376.907 3.867 20 0 GHADMP CC[NH+]1CCC([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001169265034 871329509 /nfs/dbraw/zinc/32/95/09/871329509.db2.gz LATJQUTWLBOXNI-GBXCKJPGSA-N 2 1 399.579 3.591 20 0 GHADMP CC[NH+]1CCC([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001169265034 871329525 /nfs/dbraw/zinc/32/95/25/871329525.db2.gz LATJQUTWLBOXNI-GBXCKJPGSA-N 2 1 399.579 3.591 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000447307851 871347821 /nfs/dbraw/zinc/34/78/21/871347821.db2.gz XWMIDUHQBCRZLF-TZIWHRDSSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000447307851 871347840 /nfs/dbraw/zinc/34/78/40/871347840.db2.gz XWMIDUHQBCRZLF-TZIWHRDSSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000447307851 871347861 /nfs/dbraw/zinc/34/78/61/871347861.db2.gz XWMIDUHQBCRZLF-TZIWHRDSSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000447307851 871347878 /nfs/dbraw/zinc/34/78/78/871347878.db2.gz XWMIDUHQBCRZLF-TZIWHRDSSA-N 2 1 380.536 3.704 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(CC2)CC(=O)N(CC(C)C)c2ccccc23)CC1 ZINC001169255145 871352708 /nfs/dbraw/zinc/35/27/08/871352708.db2.gz MKQZBLZPIBYQPL-UHFFFAOYSA-N 2 1 383.580 3.897 20 0 GHADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539145570 871372456 /nfs/dbraw/zinc/37/24/56/871372456.db2.gz IVFRZWYTBXFYPR-KSZLIROESA-N 2 1 380.960 3.991 20 0 GHADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539145570 871372471 /nfs/dbraw/zinc/37/24/71/871372471.db2.gz IVFRZWYTBXFYPR-KSZLIROESA-N 2 1 380.960 3.991 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000525779460 871423310 /nfs/dbraw/zinc/42/33/10/871423310.db2.gz OLJNELXZZVYNID-SJLPKXTDSA-N 2 1 385.474 3.747 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001169371327 871434705 /nfs/dbraw/zinc/43/47/05/871434705.db2.gz LMRJAGZQKUQTEQ-UAFMIMERSA-N 2 1 394.943 3.523 20 0 GHADMP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410002 871457094 /nfs/dbraw/zinc/45/70/94/871457094.db2.gz TZZPNJHZRJMNDE-WXFUMESZSA-N 2 1 382.548 3.686 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001169470564 871546198 /nfs/dbraw/zinc/54/61/98/871546198.db2.gz DRIHFLVASSNJNY-QIJZPMMNSA-N 2 1 391.625 3.927 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001169470564 871546213 /nfs/dbraw/zinc/54/62/13/871546213.db2.gz DRIHFLVASSNJNY-QIJZPMMNSA-N 2 1 391.625 3.927 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001169470564 871546231 /nfs/dbraw/zinc/54/62/31/871546231.db2.gz DRIHFLVASSNJNY-QIJZPMMNSA-N 2 1 391.625 3.927 20 0 GHADMP Nc1cc[nH+]c2cc(N[C@@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)ccc12 ZINC001169523381 871598117 /nfs/dbraw/zinc/59/81/17/871598117.db2.gz VTMRXHLZXHQJET-VGOFRKELSA-N 2 1 390.487 3.688 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001194292742 871628872 /nfs/dbraw/zinc/62/88/72/871628872.db2.gz XEBQGDIMNNRPKS-UXHICEINSA-N 2 1 377.960 3.510 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC001169554641 871633387 /nfs/dbraw/zinc/63/33/87/871633387.db2.gz LWRPWWBBTHYLOS-LPHOPBHVSA-N 2 1 383.374 3.984 20 0 GHADMP CC[C@H](C)[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000462114762 871640181 /nfs/dbraw/zinc/64/01/81/871640181.db2.gz YIROMSMCHDHITM-GBXCKJPGSA-N 2 1 399.623 3.956 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169709630 871793098 /nfs/dbraw/zinc/79/30/98/871793098.db2.gz JJKQNUIGNQBTGZ-ISKFKSNPSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169709630 871793109 /nfs/dbraw/zinc/79/31/09/871793109.db2.gz JJKQNUIGNQBTGZ-ISKFKSNPSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169709630 871793119 /nfs/dbraw/zinc/79/31/19/871793119.db2.gz JJKQNUIGNQBTGZ-ISKFKSNPSA-N 2 1 399.579 3.986 20 0 GHADMP OC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000447536684 871799081 /nfs/dbraw/zinc/79/90/81/871799081.db2.gz PFUADIKIKOPEIG-CAUSLRQDSA-N 2 1 382.523 3.762 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC001194690410 871889695 /nfs/dbraw/zinc/88/96/95/871889695.db2.gz BWRIBCQTCLTUDJ-DQEYMECFSA-N 2 1 377.576 3.930 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](CN1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC001194690410 871889710 /nfs/dbraw/zinc/88/97/10/871889710.db2.gz BWRIBCQTCLTUDJ-DQEYMECFSA-N 2 1 377.576 3.930 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](CN1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001194690410 871889726 /nfs/dbraw/zinc/88/97/26/871889726.db2.gz BWRIBCQTCLTUDJ-DQEYMECFSA-N 2 1 377.576 3.930 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000122361427 882560251 /nfs/dbraw/zinc/56/02/51/882560251.db2.gz QDZHGCUPEKUSPI-MRXNPFEDSA-N 2 1 399.926 3.712 20 0 GHADMP OC[C@H](CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC001169897038 871986591 /nfs/dbraw/zinc/98/65/91/871986591.db2.gz ADDOKSUHGLBLPT-FPOVZHCZSA-N 2 1 378.520 3.614 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477989962 872287122 /nfs/dbraw/zinc/28/71/22/872287122.db2.gz CYOBLICHXPMWJP-JOCHJYFZSA-N 2 1 397.538 3.628 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001195425791 872413606 /nfs/dbraw/zinc/41/36/06/872413606.db2.gz MFDVFFRZTFICRI-CWKRKGSWSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001195425791 872413618 /nfs/dbraw/zinc/41/36/18/872413618.db2.gz MFDVFFRZTFICRI-CWKRKGSWSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001195425791 872413629 /nfs/dbraw/zinc/41/36/29/872413629.db2.gz MFDVFFRZTFICRI-CWKRKGSWSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccccc3)cc2)C[C@H](C)O1 ZINC000447945943 872543331 /nfs/dbraw/zinc/54/33/31/872543331.db2.gz YNNCERLQRFDLJL-BGYRXZFFSA-N 2 1 390.531 3.771 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CCC[NH+]3CCCCC3)cn2)cc1 ZINC000494621694 882652146 /nfs/dbraw/zinc/65/21/46/882652146.db2.gz TUSCFXKLYCGOMT-UHFFFAOYSA-N 2 1 380.458 3.916 20 0 GHADMP Cc1c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cnn1C(C)(C)C ZINC000527292441 872966905 /nfs/dbraw/zinc/96/69/05/872966905.db2.gz FKPCBSOEMWSSAX-LPHOPBHVSA-N 2 1 389.613 3.647 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393042 873070443 /nfs/dbraw/zinc/07/04/43/873070443.db2.gz KOEMXZVDJMLMCE-NRFANRHFSA-N 2 1 377.573 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393042 873070459 /nfs/dbraw/zinc/07/04/59/873070459.db2.gz KOEMXZVDJMLMCE-NRFANRHFSA-N 2 1 377.573 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393042 873070478 /nfs/dbraw/zinc/07/04/78/873070478.db2.gz KOEMXZVDJMLMCE-NRFANRHFSA-N 2 1 377.573 3.970 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)sc2C1 ZINC000541275194 873281449 /nfs/dbraw/zinc/28/14/49/873281449.db2.gz WMXGAMKLQTZBTO-SFHVURJKSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)sc2C1 ZINC000541275194 873281462 /nfs/dbraw/zinc/28/14/62/873281462.db2.gz WMXGAMKLQTZBTO-SFHVURJKSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000541275194 873281468 /nfs/dbraw/zinc/28/14/68/873281468.db2.gz WMXGAMKLQTZBTO-SFHVURJKSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000541275194 873281479 /nfs/dbraw/zinc/28/14/79/873281479.db2.gz WMXGAMKLQTZBTO-SFHVURJKSA-N 2 1 398.576 3.760 20 0 GHADMP C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001196674861 873303762 /nfs/dbraw/zinc/30/37/62/873303762.db2.gz JTOPDFMULVXWHM-WEYGHZABSA-N 2 1 389.971 3.858 20 0 GHADMP C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001196674861 873303776 /nfs/dbraw/zinc/30/37/76/873303776.db2.gz JTOPDFMULVXWHM-WEYGHZABSA-N 2 1 389.971 3.858 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501785 873342394 /nfs/dbraw/zinc/34/23/94/873342394.db2.gz WRENRCGKRFCHNM-OFNKIYASSA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501785 873342414 /nfs/dbraw/zinc/34/24/14/873342414.db2.gz WRENRCGKRFCHNM-OFNKIYASSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501785 873342428 /nfs/dbraw/zinc/34/24/28/873342428.db2.gz WRENRCGKRFCHNM-OFNKIYASSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501785 873342441 /nfs/dbraw/zinc/34/24/41/873342441.db2.gz WRENRCGKRFCHNM-OFNKIYASSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858013854 882722234 /nfs/dbraw/zinc/72/22/34/882722234.db2.gz GLPGRJQAWQKBDT-QFIPXVFZSA-N 2 1 381.520 3.553 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000448470514 873434336 /nfs/dbraw/zinc/43/43/36/873434336.db2.gz FYSOSSYPYPYBLM-VXKWHMMOSA-N 2 1 392.632 3.652 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1C ZINC000541433598 873571522 /nfs/dbraw/zinc/57/15/22/873571522.db2.gz HGDXHJVELKHYCS-RLLQIKCJSA-N 2 1 386.584 3.824 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1C ZINC000541433598 873571526 /nfs/dbraw/zinc/57/15/26/873571526.db2.gz HGDXHJVELKHYCS-RLLQIKCJSA-N 2 1 386.584 3.824 20 0 GHADMP COc1ccc(CN2CC[C@H]2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000527773103 873586261 /nfs/dbraw/zinc/58/62/61/873586261.db2.gz MKTKWHHPEDQVMW-DEOSSOPVSA-N 2 1 393.575 3.566 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCCCC1 ZINC000541519946 873764194 /nfs/dbraw/zinc/76/41/94/873764194.db2.gz MSMRSEUBXBPTCB-RTWAWAEBSA-N 2 1 392.632 3.937 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000541542367 873799821 /nfs/dbraw/zinc/79/98/21/873799821.db2.gz TUXRGSWDLKHBRJ-IPJJNNNSSA-N 2 1 396.531 3.800 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000541542367 873799829 /nfs/dbraw/zinc/79/98/29/873799829.db2.gz TUXRGSWDLKHBRJ-IPJJNNNSSA-N 2 1 396.531 3.800 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000541557738 873863248 /nfs/dbraw/zinc/86/32/48/873863248.db2.gz KYZSDBRCGMOSKM-RTBURBONSA-N 2 1 395.613 3.632 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000528149923 874089359 /nfs/dbraw/zinc/08/93/59/874089359.db2.gz NWQPKJCICFGJJW-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000528149923 874089374 /nfs/dbraw/zinc/08/93/74/874089374.db2.gz NWQPKJCICFGJJW-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528149923 874089390 /nfs/dbraw/zinc/08/93/90/874089390.db2.gz NWQPKJCICFGJJW-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000769686653 874208757 /nfs/dbraw/zinc/20/87/57/874208757.db2.gz WQVFFVFYQVOHBH-RTBURBONSA-N 2 1 389.584 3.975 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000541811812 874334183 /nfs/dbraw/zinc/33/41/83/874334183.db2.gz KHYQJOQLYFGMBY-SJORKVTESA-N 2 1 383.540 3.613 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449100554 874473023 /nfs/dbraw/zinc/47/30/23/874473023.db2.gz BWHIAWBGGSCZBB-VSKRKVRLSA-N 3 1 387.612 3.561 20 0 GHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449100554 874473028 /nfs/dbraw/zinc/47/30/28/874473028.db2.gz BWHIAWBGGSCZBB-VSKRKVRLSA-N 2 1 387.612 3.561 20 0 GHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449100554 874473036 /nfs/dbraw/zinc/47/30/36/874473036.db2.gz BWHIAWBGGSCZBB-VSKRKVRLSA-N 2 1 387.612 3.561 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]c1C ZINC000449141825 874530247 /nfs/dbraw/zinc/53/02/47/874530247.db2.gz REDLOABBBXWISR-VCSGRIEYSA-N 2 1 381.520 3.785 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]c1C ZINC000449141825 874530256 /nfs/dbraw/zinc/53/02/56/874530256.db2.gz REDLOABBBXWISR-VCSGRIEYSA-N 2 1 381.520 3.785 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449168679 874547941 /nfs/dbraw/zinc/54/79/41/874547941.db2.gz NAJMCMHPFKFYRM-QGQLOYOPSA-N 2 1 386.580 3.729 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449168679 874547950 /nfs/dbraw/zinc/54/79/50/874547950.db2.gz NAJMCMHPFKFYRM-QGQLOYOPSA-N 2 1 386.580 3.729 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449172710 874551471 /nfs/dbraw/zinc/55/14/71/874551471.db2.gz CWXWLPRZOMGEGU-LJQANCHMSA-N 2 1 390.449 3.838 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449264470 874679677 /nfs/dbraw/zinc/67/96/77/874679677.db2.gz OYYIARVEOAMXQJ-OIBXWCBGSA-N 2 1 396.579 3.808 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000134341126 882857109 /nfs/dbraw/zinc/85/71/09/882857109.db2.gz SPAPVCAKMYQIOK-KRWDZBQOSA-N 2 1 387.749 3.790 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+]CCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001199038569 874769437 /nfs/dbraw/zinc/76/94/37/874769437.db2.gz SHBUOGLCFFNONX-UHFFFAOYSA-N 2 1 379.548 3.711 20 0 GHADMP CCC(CC)[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC001199143099 874820021 /nfs/dbraw/zinc/82/00/21/874820021.db2.gz CJVZWNAAYLHPNP-BJKOFHAPSA-N 2 1 399.623 3.910 20 0 GHADMP CCC(CC)[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC001199143099 874820037 /nfs/dbraw/zinc/82/00/37/874820037.db2.gz CJVZWNAAYLHPNP-BJKOFHAPSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@@H]1C(=O)N(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1ccccc1 ZINC000770651555 874825401 /nfs/dbraw/zinc/82/54/01/874825401.db2.gz PBSSVSCMYDFMFU-CVDCTZTESA-N 2 1 392.547 3.797 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000449559117 875049268 /nfs/dbraw/zinc/04/92/68/875049268.db2.gz ANFRZHANHFMWQU-FRIKZZABSA-N 2 1 394.515 3.767 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000449559117 875049279 /nfs/dbraw/zinc/04/92/79/875049279.db2.gz ANFRZHANHFMWQU-FRIKZZABSA-N 2 1 394.515 3.767 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528785959 875057603 /nfs/dbraw/zinc/05/76/03/875057603.db2.gz DWKWAJKMOCJHDZ-NRFANRHFSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528785959 875057609 /nfs/dbraw/zinc/05/76/09/875057609.db2.gz DWKWAJKMOCJHDZ-NRFANRHFSA-N 2 1 389.971 3.828 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001199666882 875112170 /nfs/dbraw/zinc/11/21/70/875112170.db2.gz GRIGPOLJVLPGLJ-BPYKYCOYSA-N 2 1 393.575 3.517 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001199666882 875112174 /nfs/dbraw/zinc/11/21/74/875112174.db2.gz GRIGPOLJVLPGLJ-BPYKYCOYSA-N 2 1 393.575 3.517 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000428531324 882896850 /nfs/dbraw/zinc/89/68/50/882896850.db2.gz ATYRELRANCWWNX-IEZKXTBUSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000428531324 882896863 /nfs/dbraw/zinc/89/68/63/882896863.db2.gz ATYRELRANCWWNX-IEZKXTBUSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000428531324 882896880 /nfs/dbraw/zinc/89/68/80/882896880.db2.gz ATYRELRANCWWNX-IEZKXTBUSA-N 2 1 393.575 3.703 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](c4ccccn4)C3)CC2)cc1 ZINC000449617189 875132697 /nfs/dbraw/zinc/13/26/97/875132697.db2.gz TZVZZDPHIFOMJZ-FYYLOGMGSA-N 2 1 383.511 3.738 20 0 GHADMP CN(C(=O)CC1(c2ccccc2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000528896893 875237545 /nfs/dbraw/zinc/23/75/45/875237545.db2.gz SGDXJZWVIKVLRO-XZOQPEGZSA-N 2 1 397.607 3.904 20 0 GHADMP O[C@H](C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000776034094 875251487 /nfs/dbraw/zinc/25/14/87/875251487.db2.gz PUIYUBACLUMLMT-PBHICJAKSA-N 2 1 376.850 3.856 20 0 GHADMP CC(C)C[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000449859808 875561906 /nfs/dbraw/zinc/56/19/06/875561906.db2.gz XELAZPWKQSDIED-RXVVDRJESA-N 2 1 391.519 3.763 20 0 GHADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1cccc(C[NH+](C)C)c1 ZINC001201402693 875659425 /nfs/dbraw/zinc/65/94/25/875659425.db2.gz FFXYAGQPBAHEAT-UHFFFAOYSA-N 2 1 380.492 3.657 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001201415346 875677799 /nfs/dbraw/zinc/67/77/99/875677799.db2.gz BWRSGGOTHVSTFE-JJEOQYAHSA-N 2 1 391.575 3.775 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000529164654 875739443 /nfs/dbraw/zinc/73/94/43/875739443.db2.gz CBHBCEAKXUTSCO-XPWALMASSA-N 2 1 385.596 3.723 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001201557543 875751648 /nfs/dbraw/zinc/75/16/48/875751648.db2.gz KTXZSBTYGVPPHA-HXUWFJFHSA-N 2 1 383.536 3.829 20 0 GHADMP C[NH+]1CCC(CNC(=O)c2cc(Cl)sc2Cl)(N2CCCCC2)CC1 ZINC000172752428 875900151 /nfs/dbraw/zinc/90/01/51/875900151.db2.gz RGFVHMMWPNBNCX-UHFFFAOYSA-N 2 1 390.380 3.735 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000785504819 876078851 /nfs/dbraw/zinc/07/88/51/876078851.db2.gz XWFKAZGOJZBBPA-RDJZCZTQSA-N 2 1 391.357 3.573 20 0 GHADMP Cc1nn(C)c2ncc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cc12 ZINC000537658936 883007760 /nfs/dbraw/zinc/00/77/60/883007760.db2.gz CSRRUKSNIDCPHV-UHFFFAOYSA-N 2 1 389.547 3.765 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000529496138 876240010 /nfs/dbraw/zinc/24/00/10/876240010.db2.gz BJNDFXABKAHHKP-WYZYGFAWSA-N 2 1 385.596 3.770 20 0 GHADMP COc1ccc(OC)c(C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C(C)(C)C)c1 ZINC000192758977 883009091 /nfs/dbraw/zinc/00/90/91/883009091.db2.gz DDYHMHWSELQSMO-UHFFFAOYSA-N 2 1 391.600 3.720 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000173241982 876269955 /nfs/dbraw/zinc/26/99/55/876269955.db2.gz WPZGFGZJLBIUPJ-YQQQUEKLSA-N 2 1 392.613 3.617 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CC(F)(F)C1 ZINC000529537573 876306202 /nfs/dbraw/zinc/30/62/02/876306202.db2.gz FXZMDILZAUSLII-MRXNPFEDSA-N 2 1 382.495 3.700 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000173402888 876365906 /nfs/dbraw/zinc/36/59/06/876365906.db2.gz RGKIQOQMSYQUPG-FUHIMQAGSA-N 2 1 394.991 3.847 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850422106 876904507 /nfs/dbraw/zinc/90/45/07/876904507.db2.gz FPDYQUGPLHDNSA-QFBILLFUSA-N 2 1 397.485 3.876 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000786837226 876954553 /nfs/dbraw/zinc/95/45/53/876954553.db2.gz JQNZBAMKUAEGQD-RBUKOAKNSA-N 2 1 393.369 3.978 20 0 GHADMP O=C(OCc1ccccc1)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000786968874 877057338 /nfs/dbraw/zinc/05/73/38/877057338.db2.gz TZITUEUTOJVSLP-RJGXRXQPSA-N 2 1 378.516 3.730 20 0 GHADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000850584670 877058307 /nfs/dbraw/zinc/05/83/07/877058307.db2.gz SZQFHGYPYIIXMR-NYUBLWNDSA-N 2 1 390.449 3.923 20 0 GHADMP C[C@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000174782195 877243817 /nfs/dbraw/zinc/24/38/17/877243817.db2.gz LJIVSTODZDOIDQ-FQEVSTJZSA-N 2 1 394.563 3.554 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C[NH+](CC)CC)CC2)C1 ZINC000477246597 877278494 /nfs/dbraw/zinc/27/84/94/877278494.db2.gz DOLSNPIAJHNLCZ-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000787303156 877329415 /nfs/dbraw/zinc/32/94/15/877329415.db2.gz RBRJKRVQFUZNEV-HROJSSOGSA-N 2 1 380.532 3.648 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000136747324 877362885 /nfs/dbraw/zinc/36/28/85/877362885.db2.gz YAZZFNAIFAWDKE-XZOQPEGZSA-N 2 1 398.595 3.544 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000530340829 877577758 /nfs/dbraw/zinc/57/77/58/877577758.db2.gz CFEDQHHHMHAAEP-OAQYLSRUSA-N 2 1 380.536 3.774 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCc1ccccc1 ZINC000615314827 877630464 /nfs/dbraw/zinc/63/04/64/877630464.db2.gz GWAUTDIBBAXNJA-VQTJNVASSA-N 2 1 379.548 3.856 20 0 GHADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000263308722 877633688 /nfs/dbraw/zinc/63/36/88/877633688.db2.gz YFVMOXDWQUICBV-UYAOXDASSA-N 2 1 397.485 3.694 20 0 GHADMP c1ccc(COC[C@@H]2CC[N@@H+](C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699426 877664748 /nfs/dbraw/zinc/66/47/48/877664748.db2.gz ANUQBJRSRWYFJE-RPBOFIJWSA-N 2 1 394.559 3.816 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000551723189 877713523 /nfs/dbraw/zinc/71/35/23/877713523.db2.gz WJCMBXDCEPAAOZ-LWSSLDFYSA-N 2 1 384.564 3.973 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Cl)nc2)CC1)CC1CC1 ZINC000851889907 877961345 /nfs/dbraw/zinc/96/13/45/877961345.db2.gz RTTHUYIGDNLNIM-UHFFFAOYSA-N 2 1 378.948 3.508 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Cl)nc2)CC1)CC1CC1 ZINC000851889907 877961357 /nfs/dbraw/zinc/96/13/57/877961357.db2.gz RTTHUYIGDNLNIM-UHFFFAOYSA-N 2 1 378.948 3.508 20 0 GHADMP Cc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)[nH+]c1 ZINC000455904187 877983142 /nfs/dbraw/zinc/98/31/42/877983142.db2.gz GSMSIAOMKVNIMT-NRFANRHFSA-N 2 1 393.535 3.729 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176014248 878037614 /nfs/dbraw/zinc/03/76/14/878037614.db2.gz BHDYGUBHDNGZTL-PMACEKPBSA-N 2 1 390.616 3.689 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000245544212 878081090 /nfs/dbraw/zinc/08/10/90/878081090.db2.gz AVOWGQIYLKWNEO-MSOLQXFVSA-N 2 1 392.975 3.694 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000245544212 878081108 /nfs/dbraw/zinc/08/11/08/878081108.db2.gz AVOWGQIYLKWNEO-MSOLQXFVSA-N 2 1 392.975 3.694 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176140371 878100114 /nfs/dbraw/zinc/10/01/14/878100114.db2.gz CXVYALIQBKCIGE-QFIPXVFZSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176140371 878100134 /nfs/dbraw/zinc/10/01/34/878100134.db2.gz CXVYALIQBKCIGE-QFIPXVFZSA-N 2 1 387.543 3.561 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000788640389 878230738 /nfs/dbraw/zinc/23/07/38/878230738.db2.gz ADTRMZLWKWFABL-QGZVFWFLSA-N 2 1 375.557 3.872 20 0 GHADMP C[NH+](CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CCCC1 ZINC000176476483 878276790 /nfs/dbraw/zinc/27/67/90/878276790.db2.gz ROTZDHUEGJQGEZ-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP C[NH+](CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCCC1 ZINC000176476483 878276802 /nfs/dbraw/zinc/27/68/02/878276802.db2.gz ROTZDHUEGJQGEZ-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000176476483 878276816 /nfs/dbraw/zinc/27/68/16/878276816.db2.gz ROTZDHUEGJQGEZ-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000176476483 878276829 /nfs/dbraw/zinc/27/68/29/878276829.db2.gz ROTZDHUEGJQGEZ-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000285539431 912330481 /nfs/dbraw/zinc/33/04/81/912330481.db2.gz CBWWESQNRMQANC-YNEXMFEJSA-N 3 1 385.596 3.520 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000285539431 912330492 /nfs/dbraw/zinc/33/04/92/912330492.db2.gz CBWWESQNRMQANC-YNEXMFEJSA-N 2 1 385.596 3.520 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000285539431 912330519 /nfs/dbraw/zinc/33/05/19/912330519.db2.gz CBWWESQNRMQANC-YNEXMFEJSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001183186976 912338510 /nfs/dbraw/zinc/33/85/10/912338510.db2.gz CRWOEVDSAXIAKX-SBHAEUEKSA-N 2 1 385.552 3.954 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1)CC1CC1 ZINC000537849890 878427619 /nfs/dbraw/zinc/42/76/19/878427619.db2.gz YATWJJGONAGKNP-UHFFFAOYSA-N 2 1 390.547 3.571 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000667035828 878457377 /nfs/dbraw/zinc/45/73/77/878457377.db2.gz SOKHWPGZRKEYCC-HSZRJFAPSA-N 2 1 379.548 3.634 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245729277 878491086 /nfs/dbraw/zinc/49/10/86/878491086.db2.gz PXCUIXWBBOQKIS-JOZNFPNDSA-N 3 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245729277 878491099 /nfs/dbraw/zinc/49/10/99/878491099.db2.gz PXCUIXWBBOQKIS-JOZNFPNDSA-N 2 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245729277 878491111 /nfs/dbraw/zinc/49/11/11/878491111.db2.gz PXCUIXWBBOQKIS-JOZNFPNDSA-N 2 1 393.575 3.912 20 0 GHADMP CN(c1ccccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000177569643 878759237 /nfs/dbraw/zinc/75/92/37/878759237.db2.gz PRBLLZHWPSTTAV-UHFFFAOYSA-N 3 1 398.639 3.961 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245930249 878768729 /nfs/dbraw/zinc/76/87/29/878768729.db2.gz IECGYPKFWMVYKO-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000245930249 878768739 /nfs/dbraw/zinc/76/87/39/878768739.db2.gz IECGYPKFWMVYKO-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000245930249 878768754 /nfs/dbraw/zinc/76/87/54/878768754.db2.gz IECGYPKFWMVYKO-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000530961037 878810456 /nfs/dbraw/zinc/81/04/56/878810456.db2.gz CJCBKBSUXWOVLM-CALCHBBNSA-N 2 1 390.959 3.813 20 0 GHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177702959 878820084 /nfs/dbraw/zinc/82/00/84/878820084.db2.gz TVUZHQIIRMMBDX-IBGZPJMESA-N 2 1 389.609 3.731 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000853239191 878922039 /nfs/dbraw/zinc/92/20/39/878922039.db2.gz BXYZHMLUIVJCSF-FUHWJXTLSA-N 2 1 388.556 3.623 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000853239191 878922060 /nfs/dbraw/zinc/92/20/60/878922060.db2.gz BXYZHMLUIVJCSF-FUHWJXTLSA-N 2 1 388.556 3.623 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000538175745 878979081 /nfs/dbraw/zinc/97/90/81/878979081.db2.gz SRWBHLYVYVOGJO-CYBMUJFWSA-N 2 1 394.313 3.856 20 0 GHADMP CC1(C)CC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC(C)(C)[NH2+]1 ZINC000064644313 878987208 /nfs/dbraw/zinc/98/72/08/878987208.db2.gz OFMLBWAVFYGJNG-MRXNPFEDSA-N 2 1 392.613 3.569 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531061534 879003021 /nfs/dbraw/zinc/00/30/21/879003021.db2.gz WWBCZZILDWKVCM-QFBILLFUSA-N 2 1 399.501 3.889 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246141612 879047096 /nfs/dbraw/zinc/04/70/96/879047096.db2.gz JNRJBTULUPXAGW-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246141612 879047107 /nfs/dbraw/zinc/04/71/07/879047107.db2.gz JNRJBTULUPXAGW-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246141612 879047117 /nfs/dbraw/zinc/04/71/17/879047117.db2.gz JNRJBTULUPXAGW-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1nc(C2CCCCC2)sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000538235374 879096994 /nfs/dbraw/zinc/09/69/94/879096994.db2.gz OXZCSOYJQIHJRD-UHFFFAOYSA-N 2 1 399.564 3.898 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CCCS(=O)(=O)c2ccccc2)CC1 ZINC000178392899 879104392 /nfs/dbraw/zinc/10/43/92/879104392.db2.gz ZMEKPOAKJUVARM-HXUWFJFHSA-N 2 1 392.609 3.827 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000178392899 879104395 /nfs/dbraw/zinc/10/43/95/879104395.db2.gz ZMEKPOAKJUVARM-HXUWFJFHSA-N 2 1 392.609 3.827 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000178392899 879104401 /nfs/dbraw/zinc/10/44/01/879104401.db2.gz ZMEKPOAKJUVARM-HXUWFJFHSA-N 2 1 392.609 3.827 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538274679 879166600 /nfs/dbraw/zinc/16/66/00/879166600.db2.gz XTJRCURHQMORIP-IIZPIQPGSA-N 2 1 385.596 3.931 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001183283011 912427989 /nfs/dbraw/zinc/42/79/89/912427989.db2.gz YUIPQMMGMGASFB-DFQOHLRPSA-N 2 1 399.579 3.790 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000111606690 879295799 /nfs/dbraw/zinc/29/57/99/879295799.db2.gz OFXDSMMAUYIYCK-UHFFFAOYSA-N 2 1 392.563 3.807 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000246270695 879323493 /nfs/dbraw/zinc/32/34/93/879323493.db2.gz ACZYNNPJGCMGQR-LIRRHRJNSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000246270695 879323510 /nfs/dbraw/zinc/32/35/10/879323510.db2.gz ACZYNNPJGCMGQR-LIRRHRJNSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000246270695 879323528 /nfs/dbraw/zinc/32/35/28/879323528.db2.gz ACZYNNPJGCMGQR-LIRRHRJNSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000246270695 879323546 /nfs/dbraw/zinc/32/35/46/879323546.db2.gz ACZYNNPJGCMGQR-LIRRHRJNSA-N 2 1 379.907 3.756 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000531205405 879324328 /nfs/dbraw/zinc/32/43/28/879324328.db2.gz NLGWIYXBLZMGRC-UHFFFAOYSA-N 2 1 398.595 3.721 20 0 GHADMP C[C@H](CCc1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000538400234 879383156 /nfs/dbraw/zinc/38/31/56/879383156.db2.gz KBLRSSXODYSBPJ-HYBUGGRVSA-N 2 1 393.575 3.742 20 0 GHADMP C[C@@H](CCc1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000538400235 879383768 /nfs/dbraw/zinc/38/37/68/879383768.db2.gz KBLRSSXODYSBPJ-RDPSFJRHSA-N 2 1 393.575 3.742 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000538447079 879506889 /nfs/dbraw/zinc/50/68/89/879506889.db2.gz WEIQMKQUVQKNFZ-UHFFFAOYSA-N 2 1 388.515 3.899 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000246410556 879536313 /nfs/dbraw/zinc/53/63/13/879536313.db2.gz BEPYVWMZJCGQIG-HLAWJBBLSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000246410556 879536329 /nfs/dbraw/zinc/53/63/29/879536329.db2.gz BEPYVWMZJCGQIG-HLAWJBBLSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COCc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000246410556 879536342 /nfs/dbraw/zinc/53/63/42/879536342.db2.gz BEPYVWMZJCGQIG-HLAWJBBLSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COCc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000246410556 879536348 /nfs/dbraw/zinc/53/63/48/879536348.db2.gz BEPYVWMZJCGQIG-HLAWJBBLSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1cccc(N2CCOC2=O)c1 ZINC000854223814 879641963 /nfs/dbraw/zinc/64/19/63/879641963.db2.gz HOTSJOSNDWIYKN-IWMITWMQSA-N 2 1 383.467 3.579 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493884623 879697084 /nfs/dbraw/zinc/69/70/84/879697084.db2.gz ZBZXFNADSBMJFZ-IBGZPJMESA-N 2 1 394.401 3.752 20 0 GHADMP C[NH+](C)[C@H]1C[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001183372606 912490224 /nfs/dbraw/zinc/49/02/24/912490224.db2.gz JNAYDKBZDRDQSH-SMIHKQSGSA-N 2 1 391.559 3.630 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000531381788 879746337 /nfs/dbraw/zinc/74/63/37/879746337.db2.gz KXQHRHOGXAINKA-GOSISDBHSA-N 2 1 382.976 3.928 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000531381788 879746348 /nfs/dbraw/zinc/74/63/48/879746348.db2.gz KXQHRHOGXAINKA-GOSISDBHSA-N 2 1 382.976 3.928 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000246739098 879783927 /nfs/dbraw/zinc/78/39/27/879783927.db2.gz GQHOZLRUEGVIRZ-DAYGRLMNSA-N 2 1 394.357 3.501 20 0 GHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140376 879837079 /nfs/dbraw/zinc/83/70/79/879837079.db2.gz XSBVHFDJMGIHRX-BKXMBWNOSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001170140376 879837090 /nfs/dbraw/zinc/83/70/90/879837090.db2.gz XSBVHFDJMGIHRX-BKXMBWNOSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001170140376 879837101 /nfs/dbraw/zinc/83/71/01/879837101.db2.gz XSBVHFDJMGIHRX-BKXMBWNOSA-N 2 1 383.580 3.821 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1S(C)(=O)=O ZINC000246988122 879873770 /nfs/dbraw/zinc/87/37/70/879873770.db2.gz KAWYSOBDKZCZID-FGTMMUONSA-N 2 1 396.597 3.507 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494217558 880001126 /nfs/dbraw/zinc/00/11/26/880001126.db2.gz WMYSWFVDYCVWRH-QUCCMNQESA-N 2 1 392.906 3.714 20 0 GHADMP COC(=O)c1csc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000285969100 912520554 /nfs/dbraw/zinc/52/05/54/912520554.db2.gz GZPWLSXMZFVJKC-CQSZACIVSA-N 2 1 391.537 3.702 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C(F)(F)F)n1 ZINC000183155103 880064278 /nfs/dbraw/zinc/06/42/78/880064278.db2.gz NBPZRMOEGDTVAL-YTQUADARSA-N 2 1 392.469 3.829 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cccc(Br)c21 ZINC000247947703 880092463 /nfs/dbraw/zinc/09/24/63/880092463.db2.gz DRYRMHFMGLUIMI-RVKKMQEKSA-N 2 1 381.358 3.824 20 0 GHADMP C[C@H](NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cccs1 ZINC000184749562 880373249 /nfs/dbraw/zinc/37/32/49/880373249.db2.gz LTMVEAJUALDNIS-KURKYZTESA-N 2 1 385.577 3.672 20 0 GHADMP C[C@@H](C1CC1)N(C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000184755707 880374247 /nfs/dbraw/zinc/37/42/47/880374247.db2.gz AFFBNNFPDDCNGC-QRVBRYPASA-N 2 1 383.580 3.522 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000531932614 880784623 /nfs/dbraw/zinc/78/46/23/880784623.db2.gz YGZVBGPDVWEEOM-MAUKXSAKSA-N 2 1 395.519 3.989 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000792249889 881004247 /nfs/dbraw/zinc/00/42/47/881004247.db2.gz VZWSDWIITGCLDJ-UHFFFAOYSA-N 2 1 394.563 3.678 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000792249889 881004264 /nfs/dbraw/zinc/00/42/64/881004264.db2.gz VZWSDWIITGCLDJ-UHFFFAOYSA-N 2 1 394.563 3.678 20 0 GHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000792253619 881017884 /nfs/dbraw/zinc/01/78/84/881017884.db2.gz FCTZQCVONFELHG-PXNSSMCTSA-N 2 1 384.524 3.916 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](n2cncn2)C1 ZINC000551051676 883185753 /nfs/dbraw/zinc/18/57/53/883185753.db2.gz QLYVIXQOOGQHBM-HCKOHBPESA-N 2 1 379.552 3.793 20 0 GHADMP CCCO[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182159003 883208455 /nfs/dbraw/zinc/20/84/55/883208455.db2.gz LDCLXIBWZUUFEU-VXKWHMMOSA-N 2 1 396.616 3.565 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000551051975 883219639 /nfs/dbraw/zinc/21/96/39/883219639.db2.gz WMKHMSVCDDCOBH-BPUWIUIQSA-N 2 1 393.575 3.701 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000551051975 883219654 /nfs/dbraw/zinc/21/96/54/883219654.db2.gz WMKHMSVCDDCOBH-BPUWIUIQSA-N 2 1 393.575 3.701 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000551087060 883265775 /nfs/dbraw/zinc/26/57/75/883265775.db2.gz LQTPOVOOINOQRL-ROUUACIJSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000551087060 883265793 /nfs/dbraw/zinc/26/57/93/883265793.db2.gz LQTPOVOOINOQRL-ROUUACIJSA-N 2 1 379.426 3.904 20 0 GHADMP Clc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1 ZINC001211910556 883340275 /nfs/dbraw/zinc/34/02/75/883340275.db2.gz GCRAMBXYHLXZKL-GOSISDBHSA-N 2 1 380.879 3.579 20 0 GHADMP Clc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1 ZINC001211910556 883340291 /nfs/dbraw/zinc/34/02/91/883340291.db2.gz GCRAMBXYHLXZKL-GOSISDBHSA-N 2 1 380.879 3.579 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457496 912710699 /nfs/dbraw/zinc/71/06/99/912710699.db2.gz HAQDFPNNDUDWHL-PFATUAPWSA-N 3 1 391.559 3.744 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457496 912710710 /nfs/dbraw/zinc/71/07/10/912710710.db2.gz HAQDFPNNDUDWHL-PFATUAPWSA-N 2 1 391.559 3.744 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457496 912710724 /nfs/dbraw/zinc/71/07/24/912710724.db2.gz HAQDFPNNDUDWHL-PFATUAPWSA-N 2 1 391.559 3.744 20 0 GHADMP c1ccc(CN2CCC[C@H](C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457496 912710737 /nfs/dbraw/zinc/71/07/37/912710737.db2.gz HAQDFPNNDUDWHL-PFATUAPWSA-N 2 1 391.559 3.744 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@H]1c1ccccc1 ZINC000551197038 883471056 /nfs/dbraw/zinc/47/10/56/883471056.db2.gz MNDAWZVUSLHYTG-YRPNKDGESA-N 2 1 382.508 3.592 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C[C@H]1c1ccccc1 ZINC000551197038 883471063 /nfs/dbraw/zinc/47/10/63/883471063.db2.gz MNDAWZVUSLHYTG-YRPNKDGESA-N 2 1 382.508 3.592 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)c1 ZINC000551207351 883485560 /nfs/dbraw/zinc/48/55/60/883485560.db2.gz WNPXGGVRIIUGEA-UHFFFAOYSA-N 2 1 386.389 3.955 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)cc2)CC1 ZINC000551268485 883578172 /nfs/dbraw/zinc/57/81/72/883578172.db2.gz XFHGPCOFXISAJW-DEOSSOPVSA-N 2 1 379.548 3.697 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000455888837 883588502 /nfs/dbraw/zinc/58/85/02/883588502.db2.gz XZFALAOHQCAWON-IRLDBZIGSA-N 2 1 378.520 3.632 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cs1 ZINC000194036912 883643883 /nfs/dbraw/zinc/64/38/83/883643883.db2.gz GXJWKGUNSNFRCX-HLAWJBBLSA-N 2 1 389.609 3.855 20 0 GHADMP Cc1cccc(C2(Nc3ccc4c(c3)[nH+]cn4[C@@H]3CCC[NH2+]CC3)COC2)c1 ZINC001168469659 883681822 /nfs/dbraw/zinc/68/18/22/883681822.db2.gz CMEQFWTZVBPQHE-HXUWFJFHSA-N 2 1 376.504 3.997 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859255559 883696767 /nfs/dbraw/zinc/69/67/67/883696767.db2.gz OFTRHVMRLZCMFI-WIYYLYMNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859255559 883696773 /nfs/dbraw/zinc/69/67/73/883696773.db2.gz OFTRHVMRLZCMFI-WIYYLYMNSA-N 2 1 387.568 3.744 20 0 GHADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)ccn1 ZINC000136220635 883744184 /nfs/dbraw/zinc/74/41/84/883744184.db2.gz XVKWYLYGTFOXNK-UHFFFAOYSA-N 2 1 387.430 3.850 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508880079 884084213 /nfs/dbraw/zinc/08/42/13/884084213.db2.gz KSTVIASZCKMNHG-DENIHFKCSA-N 2 1 388.600 3.831 20 0 GHADMP Cc1cc(N2CCC[C@@H](OC(=O)c3cccc(C[NH+]4CCCC4)c3)C2)nc(C)[nH+]1 ZINC000805877970 884170958 /nfs/dbraw/zinc/17/09/58/884170958.db2.gz CCTDBVALQAGJAJ-OAQYLSRUSA-N 2 1 394.519 3.515 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234419 884187258 /nfs/dbraw/zinc/18/72/58/884187258.db2.gz XHSWYPSASNELNG-HYBUGGRVSA-N 2 1 394.559 3.758 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[N@@H+](C)C1CC1 ZINC000105106545 884218290 /nfs/dbraw/zinc/21/82/90/884218290.db2.gz XUGKRJYNGHJEFX-SFHVURJKSA-N 2 1 394.563 3.697 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000806156755 884412837 /nfs/dbraw/zinc/41/28/37/884412837.db2.gz JMOGXHKTHCLCOR-IEBWSBKVSA-N 2 1 385.474 3.986 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460350322 884934975 /nfs/dbraw/zinc/93/49/75/884934975.db2.gz KBKDCMORZGDDHI-ZZYHAFTGSA-N 2 1 393.575 3.700 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460350322 884934996 /nfs/dbraw/zinc/93/49/96/884934996.db2.gz KBKDCMORZGDDHI-ZZYHAFTGSA-N 2 1 393.575 3.700 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001170523709 885422403 /nfs/dbraw/zinc/42/24/03/885422403.db2.gz IECYTPLKHIJEAO-NAVOZUGXSA-N 2 1 392.543 3.976 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000455878781 885562785 /nfs/dbraw/zinc/56/27/85/885562785.db2.gz QFPRPYXRTMZEQX-LEWJYISDSA-N 2 1 396.535 3.669 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000455878866 885563557 /nfs/dbraw/zinc/56/35/57/885563557.db2.gz QOMUSKQNUGZXJK-JOCHJYFZSA-N 2 1 378.520 3.585 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1c1ccccc1 ZINC000550622312 885565246 /nfs/dbraw/zinc/56/52/46/885565246.db2.gz SPLUKVWLROPGRJ-RBUKOAKNSA-N 2 1 392.469 3.749 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C[C@@H]1c1ccccc1 ZINC000550622312 885565255 /nfs/dbraw/zinc/56/52/55/885565255.db2.gz SPLUKVWLROPGRJ-RBUKOAKNSA-N 2 1 392.469 3.749 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303618070 885648979 /nfs/dbraw/zinc/64/89/79/885648979.db2.gz WMNZTWQMHOUBEY-PXDATVDWSA-N 2 1 395.591 3.978 20 0 GHADMP Brc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655770092 885658594 /nfs/dbraw/zinc/65/85/94/885658594.db2.gz YBZFIZJCVVNTSV-NSISKUIASA-N 2 1 393.369 3.928 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H]1c1ccccc1 ZINC000550643629 885689990 /nfs/dbraw/zinc/68/99/90/885689990.db2.gz AHYJSXCGZWJQGE-ILBGXUMGSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H]1c1ccccc1 ZINC000550643629 885689996 /nfs/dbraw/zinc/68/99/96/885689996.db2.gz AHYJSXCGZWJQGE-ILBGXUMGSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550680747 885854140 /nfs/dbraw/zinc/85/41/40/885854140.db2.gz QFUPTXUXPNEVTN-RBZQAINGSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550680747 885854155 /nfs/dbraw/zinc/85/41/55/885854155.db2.gz QFUPTXUXPNEVTN-RBZQAINGSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000550703833 885955618 /nfs/dbraw/zinc/95/56/18/885955618.db2.gz OSZICKAZQKCKRL-IAGOWNOFSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000550703833 885955634 /nfs/dbraw/zinc/95/56/34/885955634.db2.gz OSZICKAZQKCKRL-IAGOWNOFSA-N 2 1 379.426 3.904 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4C[N@H+]5CCC[C@H]5CO4)n3)cc2)CC1 ZINC000923824806 885997679 /nfs/dbraw/zinc/99/76/79/885997679.db2.gz IUTGTFHUMFEOIF-PMACEKPBSA-N 2 1 382.508 3.504 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1ccc2ccccc2c1 ZINC000550722053 886022057 /nfs/dbraw/zinc/02/20/57/886022057.db2.gz ZOTUHWXQLWTXSJ-XMMPIXPASA-N 2 1 390.527 3.834 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(Cl)c3)CC2)C1=O ZINC001275287473 913003901 /nfs/dbraw/zinc/00/39/01/913003901.db2.gz PPYWFDKDMYYVDJ-HXUWFJFHSA-N 2 1 398.378 3.760 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001168315538 886103959 /nfs/dbraw/zinc/10/39/59/886103959.db2.gz YCWMDPJVUIAFBZ-AJTFCVKESA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001168318599 886147144 /nfs/dbraw/zinc/14/71/44/886147144.db2.gz DBJCTGDCDTVJCU-NGICGMGXSA-N 2 1 375.582 3.549 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000498944761 886163763 /nfs/dbraw/zinc/16/37/63/886163763.db2.gz UGNPDHKIXNEAGA-RPWUZVMVSA-N 2 1 380.507 3.988 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000498944761 886163770 /nfs/dbraw/zinc/16/37/70/886163770.db2.gz UGNPDHKIXNEAGA-RPWUZVMVSA-N 2 1 380.507 3.988 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000131505188 886170248 /nfs/dbraw/zinc/17/02/48/886170248.db2.gz XLFMPYJLAUUEMS-OAHAVBBTSA-N 2 1 382.589 3.614 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000648788451 886327205 /nfs/dbraw/zinc/32/72/05/886327205.db2.gz GYNVFYGTJBSXJJ-IWKCEXAMSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000648788451 886327219 /nfs/dbraw/zinc/32/72/19/886327219.db2.gz GYNVFYGTJBSXJJ-IWKCEXAMSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000648788451 886327239 /nfs/dbraw/zinc/32/72/39/886327239.db2.gz GYNVFYGTJBSXJJ-IWKCEXAMSA-N 2 1 397.485 3.545 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000118949604 886357579 /nfs/dbraw/zinc/35/75/79/886357579.db2.gz XFNWOAHUWHLJSY-KNQAVFIVSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000118949604 886357593 /nfs/dbraw/zinc/35/75/93/886357593.db2.gz XFNWOAHUWHLJSY-KNQAVFIVSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000118949604 886357613 /nfs/dbraw/zinc/35/76/13/886357613.db2.gz XFNWOAHUWHLJSY-KNQAVFIVSA-N 2 1 388.600 3.933 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429549849 886482176 /nfs/dbraw/zinc/48/21/76/886482176.db2.gz VFYFHCIYMSKZOL-GIFXNVAJSA-N 2 1 396.575 3.878 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000073542168 886726347 /nfs/dbraw/zinc/72/63/47/886726347.db2.gz QIOZGWGXACZORX-JOCHJYFZSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2NC2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000459354996 887626577 /nfs/dbraw/zinc/62/65/77/887626577.db2.gz VTRYFIAYVOHTRX-OALUTQOASA-N 2 1 380.536 3.772 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001184403209 913185805 /nfs/dbraw/zinc/18/58/05/913185805.db2.gz AHGXRDZQWMOUTM-UYAOXDASSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403209 913185813 /nfs/dbraw/zinc/18/58/13/913185813.db2.gz AHGXRDZQWMOUTM-UYAOXDASSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403209 913185821 /nfs/dbraw/zinc/18/58/21/913185821.db2.gz AHGXRDZQWMOUTM-UYAOXDASSA-N 2 1 391.987 3.933 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184405738 913193401 /nfs/dbraw/zinc/19/34/01/913193401.db2.gz WTHAPUWREPYOOK-BIXGBWIQSA-N 2 1 391.987 3.789 20 0 GHADMP O[C@@H](C[NH+]1CCCC2(CCC[N@H+](C[C@H](O)c3ccccc3)C2)C1)c1ccccc1 ZINC000810054477 888102502 /nfs/dbraw/zinc/10/25/02/888102502.db2.gz UUOSCFGOIXTWQZ-JWDFLIAJSA-N 2 1 394.559 3.632 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000810145062 888212882 /nfs/dbraw/zinc/21/28/82/888212882.db2.gz QNTNYGMBUKLZNQ-XAVZPLJISA-N 2 1 380.479 3.924 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454271974 888256803 /nfs/dbraw/zinc/25/68/03/888256803.db2.gz SRBRBUAPTYEDIP-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP CC(=O)NCC1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000865475149 888374918 /nfs/dbraw/zinc/37/49/18/888374918.db2.gz IKAPBSKNXOXNBN-UHFFFAOYSA-N 2 1 383.536 3.696 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810460641 888509087 /nfs/dbraw/zinc/50/90/87/888509087.db2.gz WMEZOCWQLVAJBU-NZQKXSOJSA-N 2 1 389.559 3.570 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810460641 888509096 /nfs/dbraw/zinc/50/90/96/888509096.db2.gz WMEZOCWQLVAJBU-NZQKXSOJSA-N 2 1 389.559 3.570 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810460641 888509108 /nfs/dbraw/zinc/50/91/08/888509108.db2.gz WMEZOCWQLVAJBU-NZQKXSOJSA-N 2 1 389.559 3.570 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717919 888793922 /nfs/dbraw/zinc/79/39/22/888793922.db2.gz GDKLKOLJPPAQSU-CVDCTZTESA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717919 888793930 /nfs/dbraw/zinc/79/39/30/888793930.db2.gz GDKLKOLJPPAQSU-CVDCTZTESA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717919 888793940 /nfs/dbraw/zinc/79/39/40/888793940.db2.gz GDKLKOLJPPAQSU-CVDCTZTESA-N 2 1 389.559 3.616 20 0 GHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123377865 888885531 /nfs/dbraw/zinc/88/55/31/888885531.db2.gz USQZUBTVZKENDJ-DQLDELGASA-N 2 1 381.524 3.510 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123377865 888885540 /nfs/dbraw/zinc/88/55/40/888885540.db2.gz USQZUBTVZKENDJ-DQLDELGASA-N 2 1 381.524 3.510 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C(C)C)cc1Cl ZINC000644523964 913336388 /nfs/dbraw/zinc/33/63/88/913336388.db2.gz CZYWOYWTXWIMGV-OKZBNKHCSA-N 2 1 380.960 3.728 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000644531930 913344255 /nfs/dbraw/zinc/34/42/55/913344255.db2.gz VWKHJEHTRSDQKO-GOSISDBHSA-N 2 1 379.504 3.881 20 0 GHADMP Brc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000124501914 889651062 /nfs/dbraw/zinc/65/10/62/889651062.db2.gz QJYRPHCEFGYYEP-UHFFFAOYSA-N 2 1 376.136 3.787 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000124767186 889755695 /nfs/dbraw/zinc/75/56/95/889755695.db2.gz IOQOTRSEQACDMO-UHFFFAOYSA-N 2 1 382.346 3.584 20 0 GHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125001776 889843593 /nfs/dbraw/zinc/84/35/93/889843593.db2.gz QHLCSRGDCZCVTQ-PMACEKPBSA-N 2 1 395.547 3.629 20 0 GHADMP CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533291182 890202873 /nfs/dbraw/zinc/20/28/73/890202873.db2.gz KLEUFTRNPDLAKR-LJQANCHMSA-N 2 1 375.582 3.684 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000916838177 890275625 /nfs/dbraw/zinc/27/56/25/890275625.db2.gz OCZSNBDOGVRZTN-BHIFYINESA-N 2 1 399.579 3.796 20 0 GHADMP c1c[nH]c([C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)n1 ZINC000126192748 890417592 /nfs/dbraw/zinc/41/75/92/890417592.db2.gz UEZAKMGYMLZDOP-QHCPKHFHSA-N 2 1 389.547 3.691 20 0 GHADMP CCN(CC)C(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000127375843 891028900 /nfs/dbraw/zinc/02/89/00/891028900.db2.gz LZPSOUWZNFCHEL-UHFFFAOYSA-N 2 1 393.575 3.965 20 0 GHADMP CCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000873208954 891525135 /nfs/dbraw/zinc/52/51/35/891525135.db2.gz ZCQRVXVUMLRMEA-UHFFFAOYSA-N 2 1 397.588 3.911 20 0 GHADMP CC(C)N1CC[C@H](NC(=O)[C@H](N)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497501684 891714558 /nfs/dbraw/zinc/71/45/58/891714558.db2.gz CKMKEMAVTJCBBL-XUVXKRRUSA-N 2 1 389.902 3.819 20 0 GHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000497522809 891820349 /nfs/dbraw/zinc/82/03/49/891820349.db2.gz NSWVXAIDMKBCNR-KURKYZTESA-N 2 1 376.541 3.506 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000128731843 892336169 /nfs/dbraw/zinc/33/61/69/892336169.db2.gz VAPDYGWEDJROQL-LSWJPFSZSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000128731843 892336188 /nfs/dbraw/zinc/33/61/88/892336188.db2.gz VAPDYGWEDJROQL-LSWJPFSZSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000128731843 892336206 /nfs/dbraw/zinc/33/62/06/892336206.db2.gz VAPDYGWEDJROQL-LSWJPFSZSA-N 2 1 398.595 3.555 20 0 GHADMP CCCOc1c(Br)cc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000068722567 892609263 /nfs/dbraw/zinc/60/92/63/892609263.db2.gz UDLVALBRPQDGSR-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000068722567 892609274 /nfs/dbraw/zinc/60/92/74/892609274.db2.gz UDLVALBRPQDGSR-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000162506678 892627126 /nfs/dbraw/zinc/62/71/26/892627126.db2.gz UWYUCPVIJBAWEX-UHFFFAOYSA-N 3 1 399.554 3.563 20 0 GHADMP C[NH+](C)CCOc1ccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000162506678 892627149 /nfs/dbraw/zinc/62/71/49/892627149.db2.gz UWYUCPVIJBAWEX-UHFFFAOYSA-N 2 1 399.554 3.563 20 0 GHADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497905881 892701363 /nfs/dbraw/zinc/70/13/63/892701363.db2.gz AUTDOUPEHQZMEA-KDOFPFPSSA-N 2 1 385.474 3.502 20 0 GHADMP COc1cccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)c1 ZINC000508708366 892775197 /nfs/dbraw/zinc/77/51/97/892775197.db2.gz BNYJFKOSRJRGAJ-APTRMMRNSA-N 2 1 381.564 3.798 20 0 GHADMP COc1cccc([C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000508708366 892775205 /nfs/dbraw/zinc/77/52/05/892775205.db2.gz BNYJFKOSRJRGAJ-APTRMMRNSA-N 2 1 381.564 3.798 20 0 GHADMP COc1cccc([C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000508708366 892775217 /nfs/dbraw/zinc/77/52/17/892775217.db2.gz BNYJFKOSRJRGAJ-APTRMMRNSA-N 2 1 381.564 3.798 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC001134678736 893215348 /nfs/dbraw/zinc/21/53/48/893215348.db2.gz JGLHSRUGCPWAKC-ZNEWLNCYSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001134678736 893215368 /nfs/dbraw/zinc/21/53/68/893215368.db2.gz JGLHSRUGCPWAKC-ZNEWLNCYSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC[NH+]1C ZINC001134678736 893215390 /nfs/dbraw/zinc/21/53/90/893215390.db2.gz JGLHSRUGCPWAKC-ZNEWLNCYSA-N 2 1 391.559 3.501 20 0 GHADMP Cc1cccc(C[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000428705013 893316583 /nfs/dbraw/zinc/31/65/83/893316583.db2.gz ADABAVCUMLJISE-UHFFFAOYSA-N 2 1 379.548 3.647 20 0 GHADMP Cc1cccc(C[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000428705013 893316599 /nfs/dbraw/zinc/31/65/99/893316599.db2.gz ADABAVCUMLJISE-UHFFFAOYSA-N 2 1 379.548 3.647 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000563069575 893336760 /nfs/dbraw/zinc/33/67/60/893336760.db2.gz MKVIXWKRTQBOOU-LIRRHRJNSA-N 2 1 391.437 3.729 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000459428607 893512511 /nfs/dbraw/zinc/51/25/11/893512511.db2.gz OSCSGFAHQFITSH-BHDDXSALSA-N 2 1 392.609 3.804 20 0 GHADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000536714347 893590428 /nfs/dbraw/zinc/59/04/28/893590428.db2.gz XDXVGIMYGFFCOJ-WOIUINJBSA-N 2 1 386.584 3.561 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476352 893633279 /nfs/dbraw/zinc/63/32/79/893633279.db2.gz BMEPTOGVZQJQTJ-UDJSKEQPSA-N 2 1 382.485 3.590 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476352 893633284 /nfs/dbraw/zinc/63/32/84/893633284.db2.gz BMEPTOGVZQJQTJ-UDJSKEQPSA-N 2 1 382.485 3.590 20 0 GHADMP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000129671853 893793089 /nfs/dbraw/zinc/79/30/89/893793089.db2.gz YHMZUSWZVISYRS-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[C@@H](C)C[C@@H]2n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000556119617 893832211 /nfs/dbraw/zinc/83/22/11/893832211.db2.gz BNMGGPOEURVNIH-RVPFZPFESA-N 2 1 381.568 3.898 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000556139993 893884751 /nfs/dbraw/zinc/88/47/51/893884751.db2.gz GZVNZYWYPYTSNS-UHFFFAOYSA-N 2 1 379.976 3.729 20 0 GHADMP Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000288623790 913822735 /nfs/dbraw/zinc/82/27/35/913822735.db2.gz RWTROHKBHNLLQA-UHFFFAOYSA-N 2 1 379.451 3.612 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(Cc3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000536832113 893943593 /nfs/dbraw/zinc/94/35/93/893943593.db2.gz JQGDTCUTMOERDE-GMAHTHKFSA-N 2 1 392.591 3.936 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)C(C)C)cc2)[C@@H](C)C1 ZINC000536881244 894010045 /nfs/dbraw/zinc/01/00/45/894010045.db2.gz FKMHMPUCDLTWJZ-GHTZIAJQSA-N 2 1 375.557 3.508 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cs1)c1ccc(F)cc1 ZINC000459723881 894109664 /nfs/dbraw/zinc/10/96/64/894109664.db2.gz DFHFOVSONVYMEC-INIZCTEOSA-N 2 1 390.528 3.788 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cs1)c1ccc(F)cc1 ZINC000459723881 894109669 /nfs/dbraw/zinc/10/96/69/894109669.db2.gz DFHFOVSONVYMEC-INIZCTEOSA-N 2 1 390.528 3.788 20 0 GHADMP COc1ccc([C@H](C)C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000564308067 894846024 /nfs/dbraw/zinc/84/60/24/894846024.db2.gz ZWZHFBAEWZFYCO-ZJSXRUAMSA-N 2 1 393.575 3.691 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](Cc4ccccc4)[C@@H]3C)CC2)CC1 ZINC000565187539 895448887 /nfs/dbraw/zinc/44/88/87/895448887.db2.gz CLIXMPAFDUPCFR-REWPJTCUSA-N 2 1 397.607 3.662 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1F ZINC000565317305 895528708 /nfs/dbraw/zinc/52/87/08/895528708.db2.gz MEGKTPJBFXNQQX-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP CCOC(=O)c1csc(CC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000880263229 895599236 /nfs/dbraw/zinc/59/92/36/895599236.db2.gz HEOSTBLHQZMBQI-UHFFFAOYSA-N 2 1 390.553 3.560 20 0 GHADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C1(C(=O)Nc3ccccc3)CC1)c1ccccc1O2 ZINC000565575290 895735587 /nfs/dbraw/zinc/73/55/87/895735587.db2.gz DWHHZUGNUYOSLT-HXUWFJFHSA-N 2 1 391.515 3.736 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)CC1 ZINC000565809767 895900617 /nfs/dbraw/zinc/90/06/17/895900617.db2.gz ZAEHOYPLFQDYLR-NRFANRHFSA-N 2 1 391.987 3.729 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)CC1 ZINC000565809767 895900627 /nfs/dbraw/zinc/90/06/27/895900627.db2.gz ZAEHOYPLFQDYLR-NRFANRHFSA-N 2 1 391.987 3.729 20 0 GHADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000796263886 914024336 /nfs/dbraw/zinc/02/43/36/914024336.db2.gz PKWQQZFXPQYDGC-INIZCTEOSA-N 2 1 375.948 3.831 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC000566149580 896144404 /nfs/dbraw/zinc/14/44/04/896144404.db2.gz PSZQYDFEJNJCKE-UHFFFAOYSA-N 2 1 382.552 3.608 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818959600 896296043 /nfs/dbraw/zinc/29/60/43/896296043.db2.gz ONBKQYCAIATUGA-KSSFIOAISA-N 2 1 387.337 3.866 20 0 GHADMP C[NH+](C)CCOc1ccccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566677994 896484086 /nfs/dbraw/zinc/48/40/86/896484086.db2.gz KVEZSZSZSAUYHS-QHCPKHFHSA-N 2 1 393.575 3.914 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000566677994 896484089 /nfs/dbraw/zinc/48/40/89/896484089.db2.gz KVEZSZSZSAUYHS-QHCPKHFHSA-N 2 1 393.575 3.914 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566746715 896539881 /nfs/dbraw/zinc/53/98/81/896539881.db2.gz MKXALVBRSLDCFA-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000567165268 896930227 /nfs/dbraw/zinc/93/02/27/896930227.db2.gz XHLGDZAQJVLJGO-GOSISDBHSA-N 2 1 378.520 3.778 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)CC[NH2+]2)cc1 ZINC000567710227 897351620 /nfs/dbraw/zinc/35/16/20/897351620.db2.gz WWAVCWWPWBBPPV-RTWAWAEBSA-N 2 1 394.515 3.546 20 0 GHADMP [NH3+]CCCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000567776260 897390292 /nfs/dbraw/zinc/39/02/92/897390292.db2.gz RLJLJPKCIBNSCL-UHFFFAOYSA-N 2 1 391.968 3.842 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC23CC3)cc1 ZINC000883254179 897407087 /nfs/dbraw/zinc/40/70/87/897407087.db2.gz MGUQVLPVWCTRIU-FCHUYYIVSA-N 2 1 384.564 3.749 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC23CC3)cc1 ZINC000883254179 897407095 /nfs/dbraw/zinc/40/70/95/897407095.db2.gz MGUQVLPVWCTRIU-FCHUYYIVSA-N 2 1 384.564 3.749 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000567986997 897524169 /nfs/dbraw/zinc/52/41/69/897524169.db2.gz LQJOKCAIKDTMRY-XLIONFOSSA-N 2 1 375.900 3.713 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000568202224 897670869 /nfs/dbraw/zinc/67/08/69/897670869.db2.gz HAWRBOOQTRJBKI-WZONZLPQSA-N 2 1 383.580 3.623 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000568511969 897899133 /nfs/dbraw/zinc/89/91/33/897899133.db2.gz DCPCKBXYASYCRM-AEFFLSMTSA-N 2 1 390.597 3.519 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000568530274 897914349 /nfs/dbraw/zinc/91/43/49/897914349.db2.gz UCMDKFUXWNNXGF-RUZDIDTESA-N 2 1 397.607 3.763 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000569028891 898285347 /nfs/dbraw/zinc/28/53/47/898285347.db2.gz NAKDEUVCXVVLSY-NQIIRXRSSA-N 2 1 389.609 3.782 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000569039136 898292651 /nfs/dbraw/zinc/29/26/51/898292651.db2.gz PDPBFKYWKIFRFH-DRMXPCRNSA-N 2 1 398.522 3.757 20 0 GHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000569222696 898443081 /nfs/dbraw/zinc/44/30/81/898443081.db2.gz MSUOJYJLDARUKG-YVWKXTFCSA-N 2 1 392.613 3.503 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc1)C2 ZINC000289640133 914275960 /nfs/dbraw/zinc/27/59/60/914275960.db2.gz XNSLIJWTIHHGHX-SVMVAKDDSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)C2 ZINC000289640133 914275976 /nfs/dbraw/zinc/27/59/76/914275976.db2.gz XNSLIJWTIHHGHX-SVMVAKDDSA-N 2 1 394.563 3.548 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)CC(C)C ZINC001136649165 898751659 /nfs/dbraw/zinc/75/16/59/898751659.db2.gz LJFVQVOKYLZWEL-SFHVURJKSA-N 2 1 384.568 3.642 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)CC(C)C ZINC001136649165 898751671 /nfs/dbraw/zinc/75/16/71/898751671.db2.gz LJFVQVOKYLZWEL-SFHVURJKSA-N 2 1 384.568 3.642 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000569683379 898884670 /nfs/dbraw/zinc/88/46/70/898884670.db2.gz RCRAUSBCFIHMHK-SFHVURJKSA-N 2 1 391.519 3.708 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)CC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000569836601 898977960 /nfs/dbraw/zinc/97/79/60/898977960.db2.gz WRJQSXHDTFJBGE-FQEVSTJZSA-N 2 1 394.991 3.706 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569867294 898995560 /nfs/dbraw/zinc/99/55/60/898995560.db2.gz DYUFFIRKRXQDIA-YPAWHYETSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569867294 898995570 /nfs/dbraw/zinc/99/55/70/898995570.db2.gz DYUFFIRKRXQDIA-YPAWHYETSA-N 2 1 381.564 3.707 20 0 GHADMP C[NH+](C)[C@@H](c1nc(-c2ccc(OC3CC[NH2+]CC3)c(F)c2)no1)c1ccccc1 ZINC000823402283 899012844 /nfs/dbraw/zinc/01/28/44/899012844.db2.gz USHHECXOEKBIPY-HXUWFJFHSA-N 2 1 396.466 3.658 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000331692898 899086055 /nfs/dbraw/zinc/08/60/55/899086055.db2.gz BVEFZQXZENDCPC-GUYCJALGSA-N 2 1 380.330 3.663 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000570281041 899241249 /nfs/dbraw/zinc/24/12/49/899241249.db2.gz RUTVZJXFAGUFTJ-SHPPOPEUSA-N 2 1 380.414 3.876 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000570281041 899241264 /nfs/dbraw/zinc/24/12/64/899241264.db2.gz RUTVZJXFAGUFTJ-SHPPOPEUSA-N 2 1 380.414 3.876 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000570365436 899284473 /nfs/dbraw/zinc/28/44/73/899284473.db2.gz KKGPUFRAMMWWBE-HNNXBMFYSA-N 2 1 397.357 3.630 20 0 GHADMP C[C@H]1C[C@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000824332822 899533839 /nfs/dbraw/zinc/53/38/39/899533839.db2.gz RKHJUKKZSIVMNG-RBUKOAKNSA-N 2 1 379.589 3.830 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000570787056 899591064 /nfs/dbraw/zinc/59/10/64/899591064.db2.gz BVRITDGTZGQOSY-NWSQWKLXSA-N 2 1 379.548 3.947 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000570787056 899591071 /nfs/dbraw/zinc/59/10/71/899591071.db2.gz BVRITDGTZGQOSY-NWSQWKLXSA-N 2 1 379.548 3.947 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000570819387 899613731 /nfs/dbraw/zinc/61/37/31/899613731.db2.gz NDEVWYJAOLMYHW-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000333023127 899899974 /nfs/dbraw/zinc/89/99/74/899899974.db2.gz JWFTUHMTKFJYAJ-LEWJYISDSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000333023127 899899981 /nfs/dbraw/zinc/89/99/81/899899981.db2.gz JWFTUHMTKFJYAJ-LEWJYISDSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000333023127 899899986 /nfs/dbraw/zinc/89/99/86/899899986.db2.gz JWFTUHMTKFJYAJ-LEWJYISDSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000333023127 899899990 /nfs/dbraw/zinc/89/99/90/899899990.db2.gz JWFTUHMTKFJYAJ-LEWJYISDSA-N 2 1 398.551 3.922 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824947437 899901303 /nfs/dbraw/zinc/90/13/03/899901303.db2.gz NPUKYDXREMLNEO-QZTJIDSGSA-N 2 1 390.535 3.949 20 0 GHADMP CC[NH+](CC)CCN1CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171074893 900018452 /nfs/dbraw/zinc/01/84/52/900018452.db2.gz VNOLAVWRWLGVPR-GOSISDBHSA-N 2 1 384.395 3.810 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000333243104 900062597 /nfs/dbraw/zinc/06/25/97/900062597.db2.gz ITQWVHPYBFZXPD-KRWDZBQOSA-N 2 1 381.524 3.524 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000572426053 900181177 /nfs/dbraw/zinc/18/11/77/900181177.db2.gz QKHWWVDTYZEDOM-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCC4(CCOCC4)CO3)CC2)cc1 ZINC000886298887 900923461 /nfs/dbraw/zinc/92/34/61/900923461.db2.gz LEZQAXVWXMZZFD-QHCPKHFHSA-N 2 1 386.580 3.649 20 0 GHADMP CCOc1ccc(N(CC)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000574925002 901055098 /nfs/dbraw/zinc/05/50/98/901055098.db2.gz NFLRNQLOWNLDJW-UHFFFAOYSA-N 2 1 387.568 3.635 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000886504202 901092477 /nfs/dbraw/zinc/09/24/77/901092477.db2.gz VNKZLDGENGRGMI-FXAWDEMLSA-N 2 1 396.535 3.526 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000886504202 901092488 /nfs/dbraw/zinc/09/24/88/901092488.db2.gz VNKZLDGENGRGMI-FXAWDEMLSA-N 2 1 396.535 3.526 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000575023510 901093308 /nfs/dbraw/zinc/09/33/08/901093308.db2.gz LTVOPMSIMLRZDO-KRWDZBQOSA-N 2 1 378.520 3.843 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529013 901128411 /nfs/dbraw/zinc/12/84/11/901128411.db2.gz VMDHVSZVZICAFJ-JFOHGXHASA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529013 901128417 /nfs/dbraw/zinc/12/84/17/901128417.db2.gz VMDHVSZVZICAFJ-JFOHGXHASA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529013 901128424 /nfs/dbraw/zinc/12/84/24/901128424.db2.gz VMDHVSZVZICAFJ-JFOHGXHASA-N 2 1 399.623 3.766 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529013 901128429 /nfs/dbraw/zinc/12/84/29/901128429.db2.gz VMDHVSZVZICAFJ-JFOHGXHASA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[NH+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529013 901128432 /nfs/dbraw/zinc/12/84/32/901128432.db2.gz VMDHVSZVZICAFJ-JFOHGXHASA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529013 901128437 /nfs/dbraw/zinc/12/84/37/901128437.db2.gz VMDHVSZVZICAFJ-JFOHGXHASA-N 3 1 399.623 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@H](C)C1 ZINC000886529013 901128441 /nfs/dbraw/zinc/12/84/41/901128441.db2.gz VMDHVSZVZICAFJ-JFOHGXHASA-N 3 1 399.623 3.766 20 0 GHADMP C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886609463 901189239 /nfs/dbraw/zinc/18/92/39/901189239.db2.gz USTWBASFFZXRBV-NBCVKUGOSA-N 2 1 382.573 3.708 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)c3ccc(Br)cc3)CC2)[nH+]c1C ZINC000886659250 901212180 /nfs/dbraw/zinc/21/21/80/901212180.db2.gz HRCFIQRLFARJLS-KRWDZBQOSA-N 2 1 378.314 3.702 20 0 GHADMP CC[N@@H+](CCn1ccnc1)Cc1ccc(Br)c(Br)c1 ZINC001144212351 901263571 /nfs/dbraw/zinc/26/35/71/901263571.db2.gz VYPPDXBTHBUHCM-UHFFFAOYSA-N 2 1 387.119 3.930 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(Br)ccc1Cl ZINC000575900618 901449726 /nfs/dbraw/zinc/44/97/26/901449726.db2.gz GPQPBVMEBKLRNN-UHFFFAOYSA-N 2 1 398.732 3.728 20 0 GHADMP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cnc21 ZINC000576197076 901794787 /nfs/dbraw/zinc/79/47/87/901794787.db2.gz UGXOSUJWYUFZMJ-JTHBVZDNSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cnc21 ZINC000576197076 901794796 /nfs/dbraw/zinc/79/47/96/901794796.db2.gz UGXOSUJWYUFZMJ-JTHBVZDNSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cnc21 ZINC000576197076 901794810 /nfs/dbraw/zinc/79/48/10/901794810.db2.gz UGXOSUJWYUFZMJ-JTHBVZDNSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cnc21 ZINC000576197076 901794825 /nfs/dbraw/zinc/79/48/25/901794825.db2.gz UGXOSUJWYUFZMJ-JTHBVZDNSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)s1 ZINC000124988593 902148107 /nfs/dbraw/zinc/14/81/07/902148107.db2.gz NFZSJRSEZSTEPI-QGZVFWFLSA-N 2 1 387.549 3.568 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000128138919 902613741 /nfs/dbraw/zinc/61/37/41/902613741.db2.gz AADDKLDZSDZLEL-MRXNPFEDSA-N 2 1 394.357 3.584 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000846064653 902678754 /nfs/dbraw/zinc/67/87/54/902678754.db2.gz HSIIKKGQSROQLH-XLIONFOSSA-N 2 1 375.557 3.873 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000846064653 902678760 /nfs/dbraw/zinc/67/87/60/902678760.db2.gz HSIIKKGQSROQLH-XLIONFOSSA-N 2 1 375.557 3.873 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000577377294 902724978 /nfs/dbraw/zinc/72/49/78/902724978.db2.gz GQRGUXMWCXRHLT-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000577512928 902833024 /nfs/dbraw/zinc/83/30/24/902833024.db2.gz ILFVKYUFIHGTBO-JOCHJYFZSA-N 2 1 377.536 3.799 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000600842920 902993847 /nfs/dbraw/zinc/99/38/47/902993847.db2.gz NFABURLCWBQWAX-AEFFLSMTSA-N 2 1 380.602 3.551 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729660 903135754 /nfs/dbraw/zinc/13/57/54/903135754.db2.gz VBYDULLEPYHMEQ-DEOSSOPVSA-N 2 1 375.560 3.832 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729660 903135762 /nfs/dbraw/zinc/13/57/62/903135762.db2.gz VBYDULLEPYHMEQ-DEOSSOPVSA-N 2 1 375.560 3.832 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000646591510 914699303 /nfs/dbraw/zinc/69/93/03/914699303.db2.gz FJCJSERCLXPMLG-HSZRJFAPSA-N 2 1 379.548 3.504 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000846989453 903369613 /nfs/dbraw/zinc/36/96/13/903369613.db2.gz BIKHKVKFNFFYEM-UYAOXDASSA-N 2 1 390.572 3.854 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000846989453 903369630 /nfs/dbraw/zinc/36/96/30/903369630.db2.gz BIKHKVKFNFFYEM-UYAOXDASSA-N 2 1 390.572 3.854 20 0 GHADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000846991319 903372946 /nfs/dbraw/zinc/37/29/46/903372946.db2.gz LNWZABZVZRLTON-HXUWFJFHSA-N 2 1 391.556 3.526 20 0 GHADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000846991319 903372958 /nfs/dbraw/zinc/37/29/58/903372958.db2.gz LNWZABZVZRLTON-HXUWFJFHSA-N 2 1 391.556 3.526 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000578034238 903460808 /nfs/dbraw/zinc/46/08/08/903460808.db2.gz XGZKTJLZWONACY-URYYLNOGSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000601236793 903494375 /nfs/dbraw/zinc/49/43/75/903494375.db2.gz JMMFCFFCKRXVQZ-SIKLNZKXSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000779047992 903535107 /nfs/dbraw/zinc/53/51/07/903535107.db2.gz HJCFQSZMALIIGR-LEWJYISDSA-N 2 1 387.568 3.540 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001146934007 903644025 /nfs/dbraw/zinc/64/40/25/903644025.db2.gz KARYYSGIFKLFMA-VQTJNVASSA-N 2 1 387.568 3.992 20 0 GHADMP Cn1cc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)s2)cn1 ZINC000578342510 903748891 /nfs/dbraw/zinc/74/88/91/903748891.db2.gz ZYAJRSNEBMPLGE-BGYRXZFFSA-N 2 1 378.545 3.712 20 0 GHADMP Cn1cc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)s2)cn1 ZINC000578342510 903748905 /nfs/dbraw/zinc/74/89/05/903748905.db2.gz ZYAJRSNEBMPLGE-BGYRXZFFSA-N 2 1 378.545 3.712 20 0 GHADMP Cn1cc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)s2)cn1 ZINC000578342510 903748924 /nfs/dbraw/zinc/74/89/24/903748924.db2.gz ZYAJRSNEBMPLGE-BGYRXZFFSA-N 2 1 378.545 3.712 20 0 GHADMP Cn1cc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)s2)cn1 ZINC000578342510 903748938 /nfs/dbraw/zinc/74/89/38/903748938.db2.gz ZYAJRSNEBMPLGE-BGYRXZFFSA-N 2 1 378.545 3.712 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(-c2cccs2)n1 ZINC000578370056 903775317 /nfs/dbraw/zinc/77/53/17/903775317.db2.gz OHWZDGOOKWFFLD-QGZVFWFLSA-N 2 1 378.611 3.720 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000779073099 903903927 /nfs/dbraw/zinc/90/39/27/903903927.db2.gz KMXASGRRYVVNRM-UNMCSNQZSA-N 2 1 393.522 3.871 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000779073099 903903933 /nfs/dbraw/zinc/90/39/33/903903933.db2.gz KMXASGRRYVVNRM-UNMCSNQZSA-N 2 1 393.522 3.871 20 0 GHADMP Cn1c(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nnc1-c1ccccc1 ZINC000578653015 904028657 /nfs/dbraw/zinc/02/86/57/904028657.db2.gz DTIPYWGRNNAILL-VXKWHMMOSA-N 2 1 389.547 3.654 20 0 GHADMP Cn1c(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nnc1-c1ccccc1 ZINC000578653015 904028667 /nfs/dbraw/zinc/02/86/67/904028667.db2.gz DTIPYWGRNNAILL-VXKWHMMOSA-N 2 1 389.547 3.654 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000048745015 904090114 /nfs/dbraw/zinc/09/01/14/904090114.db2.gz MIGSLORTTHEMDX-IBGZPJMESA-N 2 1 390.531 3.979 20 0 GHADMP COCCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000152416874 904265994 /nfs/dbraw/zinc/26/59/94/904265994.db2.gz FUOIABLZOACOHJ-BEFAXECRSA-N 2 1 381.358 3.991 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1cnccn1 ZINC000153688213 904388809 /nfs/dbraw/zinc/38/88/09/904388809.db2.gz WGKVESRSWMMAHW-FQEVSTJZSA-N 2 1 387.531 3.650 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1cnccn1 ZINC000153688339 904389432 /nfs/dbraw/zinc/38/94/32/904389432.db2.gz WGKVESRSWMMAHW-HXUWFJFHSA-N 2 1 387.531 3.650 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)C[C@H]3c3ccccc3)CC2)CC1 ZINC000579248993 904454746 /nfs/dbraw/zinc/45/47/46/904454746.db2.gz XMTKCMABHZBINW-XXBNENTESA-N 2 1 383.580 3.792 20 0 GHADMP COc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1Cl ZINC000104178774 904548949 /nfs/dbraw/zinc/54/89/49/904548949.db2.gz OXOZYXFOGXLNPY-UHFFFAOYSA-N 2 1 387.846 3.909 20 0 GHADMP c1[nH+]c2cc(NC3CCN(c4cccnc4)CC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001171467743 904743640 /nfs/dbraw/zinc/74/36/40/904743640.db2.gz CHGFCOQKUSVSNJ-FQEVSTJZSA-N 2 1 390.535 3.827 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171513408 904789048 /nfs/dbraw/zinc/78/90/48/904789048.db2.gz VDVCQKJZPAUZOE-INIZCTEOSA-N 2 1 375.438 3.923 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171526349 904806742 /nfs/dbraw/zinc/80/67/42/904806742.db2.gz VQRAHCJIKKWGHK-BFYDXBDKSA-N 2 1 382.470 3.712 20 0 GHADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676153 904919860 /nfs/dbraw/zinc/91/98/60/904919860.db2.gz XKKLXCYQZBTHDF-FTBPSBKWSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676153 904919872 /nfs/dbraw/zinc/91/98/72/904919872.db2.gz XKKLXCYQZBTHDF-FTBPSBKWSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001171676153 904919882 /nfs/dbraw/zinc/91/98/82/904919882.db2.gz XKKLXCYQZBTHDF-FTBPSBKWSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1cccc(CN2C[C@@H]3C[N@H+](C4CC(C)(C)[NH+](C)C(C)(C)C4)C[C@@H]3C2=O)c1 ZINC001171637772 904926188 /nfs/dbraw/zinc/92/61/88/904926188.db2.gz PFSKSKLXMXBEOM-FPOVZHCZSA-N 2 1 383.580 3.537 20 0 GHADMP Cc1ccc(O[C@H]2C[C@H]3CN(C4CC(C)(C)[NH+](C)C(C)(C)C4)CC[N@H+]3C2)cc1 ZINC001171638229 904928456 /nfs/dbraw/zinc/92/84/56/904928456.db2.gz XSWPKMVTWWPTLL-UGKGYDQZSA-N 2 1 385.596 3.784 20 0 GHADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171760831 904994798 /nfs/dbraw/zinc/99/47/98/904994798.db2.gz AQSVTEDXLKNSNE-YTQUADARSA-N 2 1 384.593 3.721 20 0 GHADMP C[C@H]1C[C@@H](N2CCC[NH+](Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171761726 904997801 /nfs/dbraw/zinc/99/78/01/904997801.db2.gz GAXPYVADEWHUDP-GBXCKJPGSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@H]1C[C@@H](N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C[NH+]1Cc1ccccc1 ZINC001171761726 904997811 /nfs/dbraw/zinc/99/78/11/904997811.db2.gz GAXPYVADEWHUDP-GBXCKJPGSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@H]1C[C@@H](N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C[NH+]1Cc1ccccc1 ZINC001171761726 904997821 /nfs/dbraw/zinc/99/78/21/904997821.db2.gz GAXPYVADEWHUDP-GBXCKJPGSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171740200 905027639 /nfs/dbraw/zinc/02/76/39/905027639.db2.gz IIOYKPYEEFGQFF-OTUUDDROSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171740200 905027656 /nfs/dbraw/zinc/02/76/56/905027656.db2.gz IIOYKPYEEFGQFF-OTUUDDROSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171740200 905027672 /nfs/dbraw/zinc/02/76/72/905027672.db2.gz IIOYKPYEEFGQFF-OTUUDDROSA-N 2 1 378.564 3.817 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC001171935799 905191927 /nfs/dbraw/zinc/19/19/27/905191927.db2.gz LFBDHLBGOVGKBF-NPKDDELLSA-N 2 1 384.564 3.999 20 0 GHADMP Cc1ccnc(O[C@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990735 905200818 /nfs/dbraw/zinc/20/08/18/905200818.db2.gz NPCOUYDZXIKOEK-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990735 905200828 /nfs/dbraw/zinc/20/08/28/905200828.db2.gz NPCOUYDZXIKOEK-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990735 905200837 /nfs/dbraw/zinc/20/08/37/905200837.db2.gz NPCOUYDZXIKOEK-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990735 905200851 /nfs/dbraw/zinc/20/08/51/905200851.db2.gz NPCOUYDZXIKOEK-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974097 905217747 /nfs/dbraw/zinc/21/77/47/905217747.db2.gz ACGKYIQCMYIEKX-OAQYLSRUSA-N 2 1 395.547 3.917 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCCN(C(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985449 905245497 /nfs/dbraw/zinc/24/54/97/905245497.db2.gz WWTURCBOWYRARY-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCCN(C(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985449 905245505 /nfs/dbraw/zinc/24/55/05/905245505.db2.gz WWTURCBOWYRARY-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCCN(C(=O)C3CCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001171985449 905245516 /nfs/dbraw/zinc/24/55/16/905245516.db2.gz WWTURCBOWYRARY-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCCN(C(=O)C3CCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001171985449 905245527 /nfs/dbraw/zinc/24/55/27/905245527.db2.gz WWTURCBOWYRARY-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP COc1ccc(O[C@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987198 905249250 /nfs/dbraw/zinc/24/92/50/905249250.db2.gz QYEOXUMRPCUFOV-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987198 905249260 /nfs/dbraw/zinc/24/92/60/905249260.db2.gz QYEOXUMRPCUFOV-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987198 905249270 /nfs/dbraw/zinc/24/92/70/905249270.db2.gz QYEOXUMRPCUFOV-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP [NH3+]C[C@@H]1COc2ccccc2N1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075278 905283585 /nfs/dbraw/zinc/28/35/85/905283585.db2.gz DOHRGUJXTZKEST-CIAFKFPVSA-N 2 1 377.532 3.798 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N(c2ncccn2)[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001172075747 905285383 /nfs/dbraw/zinc/28/53/83/905285383.db2.gz SPCAPWBVGBWSGE-ACESQOTJSA-N 2 1 391.563 3.621 20 0 GHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172083722 905296981 /nfs/dbraw/zinc/29/69/81/905296981.db2.gz QWHKORSSNPEHTN-PPMYUTJDSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172083722 905296998 /nfs/dbraw/zinc/29/69/98/905296998.db2.gz QWHKORSSNPEHTN-PPMYUTJDSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172083722 905297013 /nfs/dbraw/zinc/29/70/13/905297013.db2.gz QWHKORSSNPEHTN-PPMYUTJDSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172083722 905297032 /nfs/dbraw/zinc/29/70/32/905297032.db2.gz QWHKORSSNPEHTN-PPMYUTJDSA-N 2 1 382.548 3.846 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N(c2ccncn2)C2CC[NH2+]CC2)C3)cc1 ZINC001172090451 905308909 /nfs/dbraw/zinc/30/89/09/905308909.db2.gz VUTIKUIXFXDXPG-NUNAXRQHSA-N 2 1 391.563 3.621 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098653 905320763 /nfs/dbraw/zinc/32/07/63/905320763.db2.gz GJPZQVFQQGUWBK-HUJIQXBTSA-N 2 1 391.600 3.875 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172100434 905321604 /nfs/dbraw/zinc/32/16/04/905321604.db2.gz QNLWYVWJTSRRSC-MKXGPGLRSA-N 2 1 377.573 3.629 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172100789 905322892 /nfs/dbraw/zinc/32/28/92/905322892.db2.gz UBACEPCBNWRVMN-GGPHIMKMSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172100789 905322912 /nfs/dbraw/zinc/32/29/12/905322912.db2.gz UBACEPCBNWRVMN-GGPHIMKMSA-N 2 1 377.573 3.771 20 0 GHADMP CCOC(=O)N1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172062748 905325358 /nfs/dbraw/zinc/32/53/58/905325358.db2.gz RSOLEJFAKJTQFT-KOUNCHBCSA-N 2 1 385.552 3.783 20 0 GHADMP CC(=O)N1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172068113 905335012 /nfs/dbraw/zinc/33/50/12/905335012.db2.gz HMCPKJWVHKUFST-UBRQYEGLSA-N 2 1 395.591 3.907 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)C2 ZINC001172104279 905354530 /nfs/dbraw/zinc/35/45/30/905354530.db2.gz BFEKVRPWEFXSNU-GPJHCHHRSA-N 2 1 383.580 3.652 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116878 905373127 /nfs/dbraw/zinc/37/31/27/905373127.db2.gz HCVWZEYUNWWQKM-XAPVIXHLSA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116878 905373146 /nfs/dbraw/zinc/37/31/46/905373146.db2.gz HCVWZEYUNWWQKM-XAPVIXHLSA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116878 905373163 /nfs/dbraw/zinc/37/31/63/905373163.db2.gz HCVWZEYUNWWQKM-XAPVIXHLSA-N 2 1 387.593 3.692 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1)C2 ZINC001172119001 905373636 /nfs/dbraw/zinc/37/36/36/905373636.db2.gz UQKFGFWOXWEDFC-QXUYBEEESA-N 2 1 398.572 3.784 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(S(C)(=O)=O)cc1)C2 ZINC001172119001 905373656 /nfs/dbraw/zinc/37/36/56/905373656.db2.gz UQKFGFWOXWEDFC-QXUYBEEESA-N 2 1 398.572 3.784 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121396 905377956 /nfs/dbraw/zinc/37/79/56/905377956.db2.gz PZVRVHHENUHXLW-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121396 905377969 /nfs/dbraw/zinc/37/79/69/905377969.db2.gz PZVRVHHENUHXLW-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121396 905377986 /nfs/dbraw/zinc/37/79/86/905377986.db2.gz PZVRVHHENUHXLW-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccc(Br)cc3)CC1)C2 ZINC001172120375 905378420 /nfs/dbraw/zinc/37/84/20/905378420.db2.gz KMQFXWYBHPRTJN-REPLKXPHSA-N 2 1 393.369 3.748 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(O)(c3ccc(Br)cc3)CC1)C2 ZINC001172120375 905378432 /nfs/dbraw/zinc/37/84/32/905378432.db2.gz KMQFXWYBHPRTJN-REPLKXPHSA-N 2 1 393.369 3.748 20 0 GHADMP CC(=O)N1CC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2cc(C)ccc21 ZINC001172119867 905379901 /nfs/dbraw/zinc/37/99/01/905379901.db2.gz BSZVBQSEKWZFHT-AERCQKQUSA-N 2 1 381.564 3.710 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121858 905382596 /nfs/dbraw/zinc/38/25/96/905382596.db2.gz UKUQXHCJGIZUTA-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121858 905382606 /nfs/dbraw/zinc/38/26/06/905382606.db2.gz UKUQXHCJGIZUTA-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121858 905382612 /nfs/dbraw/zinc/38/26/12/905382612.db2.gz UKUQXHCJGIZUTA-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000174948111 905397131 /nfs/dbraw/zinc/39/71/31/905397131.db2.gz GQZRZUNRBDAYEF-QHCPKHFHSA-N 2 1 391.559 3.877 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175426005 905562912 /nfs/dbraw/zinc/56/29/12/905562912.db2.gz ONNTTXBPOZDDQF-NQIIRXRSSA-N 2 1 386.584 3.602 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175637350 905616713 /nfs/dbraw/zinc/61/67/13/905616713.db2.gz AKZYFOOZNINZMM-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539692 905642950 /nfs/dbraw/zinc/64/29/50/905642950.db2.gz DDVLUFYIOUBBJD-FSSWDIPSSA-N 2 1 394.563 3.864 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)CCC2 ZINC001172543891 905648649 /nfs/dbraw/zinc/64/86/49/905648649.db2.gz PCUFZLWTWCRSSV-YADHBBJMSA-N 2 1 396.579 3.893 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001172615080 905672268 /nfs/dbraw/zinc/67/22/68/905672268.db2.gz FVBKUYVCOSFWHK-DOTOQJQBSA-N 2 1 387.911 3.742 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172584373 905684784 /nfs/dbraw/zinc/68/47/84/905684784.db2.gz NGNXXLFXFWMQLB-FUHWJXTLSA-N 2 1 379.520 3.902 20 0 GHADMP OC1C[NH+](Cc2ccc(Nc3ccc4c(c3)CC[C@@H]([NH+]3CCCC3)CC4)cc2)C1 ZINC001212673022 905728020 /nfs/dbraw/zinc/72/80/20/905728020.db2.gz BWGFSRCFCOYUEJ-DEOSSOPVSA-N 2 1 391.559 3.950 20 0 GHADMP COC(=O)N1CCC([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001172739390 905782001 /nfs/dbraw/zinc/78/20/01/905782001.db2.gz HUFIFXFLVSOJSN-UHFFFAOYSA-N 2 1 385.552 3.595 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)CC1 ZINC001173110351 906196679 /nfs/dbraw/zinc/19/66/79/906196679.db2.gz JZZDEWHENKWSHP-UHFFFAOYSA-N 2 1 398.595 3.663 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001173113878 906203078 /nfs/dbraw/zinc/20/30/78/906203078.db2.gz NQEVDMDSQADXEY-KUZRIEKOSA-N 2 1 379.589 3.875 20 0 GHADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173126321 906210021 /nfs/dbraw/zinc/21/00/21/906210021.db2.gz NCCPUHZAIFXWTR-ZDUSSCGKSA-N 2 1 381.467 3.969 20 0 GHADMP CC[C@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001173290858 906368777 /nfs/dbraw/zinc/36/87/77/906368777.db2.gz YCXAPKGBYKKFEO-REWPJTCUSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178698234 906372655 /nfs/dbraw/zinc/37/26/55/906372655.db2.gz AXZNLZMGLSFKCK-KBPBESRZSA-N 2 1 382.430 3.853 20 0 GHADMP Cc1cc2cc(C[NH3+])ccc2n1C1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC001173458087 906496725 /nfs/dbraw/zinc/49/67/25/906496725.db2.gz FLDGTDHUJUDXSY-UHFFFAOYSA-N 2 1 391.515 3.789 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001173556850 906530613 /nfs/dbraw/zinc/53/06/13/906530613.db2.gz LFOJYDZLDYVVTB-MNNVXMFVSA-N 2 1 399.373 3.734 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC001173605228 906557247 /nfs/dbraw/zinc/55/72/47/906557247.db2.gz AFKCPZDPSSMLQG-XJKBURMOSA-N 2 1 384.564 3.999 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)CC2 ZINC001173605228 906557252 /nfs/dbraw/zinc/55/72/52/906557252.db2.gz AFKCPZDPSSMLQG-XJKBURMOSA-N 2 1 384.564 3.999 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001173641311 906625391 /nfs/dbraw/zinc/62/53/91/906625391.db2.gz SXYPMOOWRXYLES-SFTDATJTSA-N 2 1 399.579 3.880 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001173645397 906629735 /nfs/dbraw/zinc/62/97/35/906629735.db2.gz SYOWCNHOZXRIEV-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001173645397 906629739 /nfs/dbraw/zinc/62/97/39/906629739.db2.gz SYOWCNHOZXRIEV-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001173645397 906629742 /nfs/dbraw/zinc/62/97/42/906629742.db2.gz SYOWCNHOZXRIEV-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001173645397 906629744 /nfs/dbraw/zinc/62/97/44/906629744.db2.gz SYOWCNHOZXRIEV-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001173709625 906659700 /nfs/dbraw/zinc/65/97/00/906659700.db2.gz PDTGZTOKMXDJFK-ZQAWKMMESA-N 2 1 392.543 3.904 20 0 GHADMP O=C(NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC000180139752 906698629 /nfs/dbraw/zinc/69/86/29/906698629.db2.gz NIJYEMBMKMWZCN-IHWFROFDSA-N 2 1 383.561 3.653 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCCc2nnc4n2CCCCC4)C3)cc1 ZINC000180150733 906702115 /nfs/dbraw/zinc/70/21/15/906702115.db2.gz LAAZOXBPDXJZKE-FRIKZZABSA-N 2 1 393.579 3.722 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)[C@@H](C)C1 ZINC001173777310 906703327 /nfs/dbraw/zinc/70/33/27/906703327.db2.gz GLLASKAMSWBVQH-YWZLYKJASA-N 2 1 395.950 3.792 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180161028 906703679 /nfs/dbraw/zinc/70/36/79/906703679.db2.gz WJHJQFQHUFFQLB-AKIFATBCSA-N 2 1 383.580 3.524 20 0 GHADMP COCC[N@@H+](C1CCC(c2ccc(OC(C)=O)cc2)CC1)C1CCN(C)CC1 ZINC001173790524 906713348 /nfs/dbraw/zinc/71/33/48/906713348.db2.gz IZHSYBWZPNLSKJ-UHFFFAOYSA-N 2 1 388.552 3.681 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1C(F)(F)F ZINC000629566429 906872359 /nfs/dbraw/zinc/87/23/59/906872359.db2.gz YSZSPWVMPMAQLP-APWZRJJASA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1C(F)(F)F ZINC000629566429 906872363 /nfs/dbraw/zinc/87/23/63/906872363.db2.gz YSZSPWVMPMAQLP-APWZRJJASA-N 2 1 379.426 3.620 20 0 GHADMP C[NH2+]CCOCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000629653762 906931366 /nfs/dbraw/zinc/93/13/66/906931366.db2.gz NBBYIRQEVHXVLH-UHFFFAOYSA-N 2 1 378.520 3.516 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655529 906931802 /nfs/dbraw/zinc/93/18/02/906931802.db2.gz LIEJRNCQFHZBLX-MSOLQXFVSA-N 2 1 379.426 3.716 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655529 906931814 /nfs/dbraw/zinc/93/18/14/906931814.db2.gz LIEJRNCQFHZBLX-MSOLQXFVSA-N 2 1 379.426 3.716 20 0 GHADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000181411514 906995036 /nfs/dbraw/zinc/99/50/36/906995036.db2.gz IZQRVUFMQTWDIT-FXAWDEMLSA-N 2 1 387.593 3.856 20 0 GHADMP c1cc(Nc2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCOCC1 ZINC001174445732 907042077 /nfs/dbraw/zinc/04/20/77/907042077.db2.gz OMYSUORAFDJGPU-UHFFFAOYSA-N 2 1 381.520 3.737 20 0 GHADMP C[N@@H+](CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000629995607 907090634 /nfs/dbraw/zinc/09/06/34/907090634.db2.gz CPNFJHUIFBMKPL-HSZRJFAPSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185902 907345000 /nfs/dbraw/zinc/34/50/00/907345000.db2.gz UQTYRWQQPZOAPC-HRCADAONSA-N 2 1 378.948 3.695 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc(F)cc3C)CC2)cc1 ZINC001175991644 907855998 /nfs/dbraw/zinc/85/59/98/907855998.db2.gz HPVUNDDKQTXJTP-HXUWFJFHSA-N 2 1 397.538 3.828 20 0 GHADMP C[C@@H](NCc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186469728 907929913 /nfs/dbraw/zinc/92/99/13/907929913.db2.gz GUHFIDXPHSFKOM-NVXWUHKLSA-N 2 1 387.959 3.878 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001177453905 908576566 /nfs/dbraw/zinc/57/65/66/908576566.db2.gz GNRYJRNGWCSLSP-DNRQZRRGSA-N 2 1 393.575 3.832 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001177453905 908576575 /nfs/dbraw/zinc/57/65/75/908576575.db2.gz GNRYJRNGWCSLSP-DNRQZRRGSA-N 2 1 393.575 3.832 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001178291582 908990796 /nfs/dbraw/zinc/99/07/96/908990796.db2.gz ZBTYALZBXWGXSA-SFHVURJKSA-N 2 1 394.437 3.674 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001178291582 908990809 /nfs/dbraw/zinc/99/08/09/908990809.db2.gz ZBTYALZBXWGXSA-SFHVURJKSA-N 2 1 394.437 3.674 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001179771422 909698080 /nfs/dbraw/zinc/69/80/80/909698080.db2.gz DJZKQVWPGJVLBO-SQNIBIBYSA-N 2 1 392.469 3.829 20 0 GHADMP CCCOc1ccccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637883730 909993783 /nfs/dbraw/zinc/99/37/83/909993783.db2.gz IXYWURKMOHTEFP-UHFFFAOYSA-N 2 1 381.520 3.798 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000268785975 910015580 /nfs/dbraw/zinc/01/55/80/910015580.db2.gz VUCHZDSWDUWVBG-GBXCKJPGSA-N 2 1 391.559 3.809 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1SC(F)F ZINC000268841610 910041544 /nfs/dbraw/zinc/04/15/44/910041544.db2.gz ATDAIZWWADVLFR-GOEBONIOSA-N 2 1 388.524 3.897 20 0 GHADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nnc2n1CCCCC2 ZINC000268850246 910044397 /nfs/dbraw/zinc/04/43/97/910044397.db2.gz OZRITOJGGVQUKA-FXAWDEMLSA-N 2 1 385.556 3.747 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c(OC)c1 ZINC000268851982 910045816 /nfs/dbraw/zinc/04/58/16/910045816.db2.gz KQSBORHQAQCRNT-INIZCTEOSA-N 2 1 388.508 3.504 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000268877750 910056391 /nfs/dbraw/zinc/05/63/91/910056391.db2.gz ZEVMPIMCZXGBTE-QGZVFWFLSA-N 2 1 389.503 3.531 20 0 GHADMP CC[N@H+](Cc1cccn(C(F)F)c1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638139284 910062283 /nfs/dbraw/zinc/06/22/83/910062283.db2.gz LLPOOWUXOUJAJE-GOSISDBHSA-N 2 1 375.463 3.587 20 0 GHADMP CC[NH+](Cc1cccn(C(F)F)c1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638139284 910062301 /nfs/dbraw/zinc/06/23/01/910062301.db2.gz LLPOOWUXOUJAJE-GOSISDBHSA-N 2 1 375.463 3.587 20 0 GHADMP CC[NH+](Cc1cccn(C(F)F)c1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638139284 910062321 /nfs/dbraw/zinc/06/23/21/910062321.db2.gz LLPOOWUXOUJAJE-GOSISDBHSA-N 2 1 375.463 3.587 20 0 GHADMP C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000269038724 910113399 /nfs/dbraw/zinc/11/33/99/910113399.db2.gz FYMVJJDOWOZFKA-HXUWFJFHSA-N 2 1 392.547 3.917 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638377316 910135360 /nfs/dbraw/zinc/13/53/60/910135360.db2.gz PJKYKVAXDWRSCA-IYWMVGAKSA-N 2 1 392.385 3.801 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000638562803 910192291 /nfs/dbraw/zinc/19/22/91/910192291.db2.gz ZLISTJZDANJDRU-ROUUACIJSA-N 2 1 385.474 3.516 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638672804 910208440 /nfs/dbraw/zinc/20/84/40/910208440.db2.gz YMRFOPVWYXZNSV-UHFFFAOYSA-N 2 1 387.430 3.758 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638855675 910253167 /nfs/dbraw/zinc/25/31/67/910253167.db2.gz HHWWZRGYHKRSHM-FYYLOGMGSA-N 2 1 398.572 3.689 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638855675 910253180 /nfs/dbraw/zinc/25/31/80/910253180.db2.gz HHWWZRGYHKRSHM-FYYLOGMGSA-N 2 1 398.572 3.689 20 0 GHADMP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000639022893 910292510 /nfs/dbraw/zinc/29/25/10/910292510.db2.gz JPIDDVXXXSMBNU-PXNSSMCTSA-N 2 1 392.547 3.657 20 0 GHADMP O=c1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cccn1C(F)F ZINC000639039549 910296952 /nfs/dbraw/zinc/29/69/52/910296952.db2.gz VOVAMUXIMJRRHO-VAMGGRTRSA-N 2 1 387.474 3.634 20 0 GHADMP O=c1c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cccn1C(F)F ZINC000639039548 910297842 /nfs/dbraw/zinc/29/78/42/910297842.db2.gz VOVAMUXIMJRRHO-SLFFLAALSA-N 2 1 387.474 3.634 20 0 GHADMP CC(C)(C)[C@@]1(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639296501 910379085 /nfs/dbraw/zinc/37/90/85/910379085.db2.gz VFTRNZRELMONMB-GBXCKJPGSA-N 2 1 383.580 3.525 20 0 GHADMP O=C(CC12CCC[NH+]1CCC2)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001181107434 910538847 /nfs/dbraw/zinc/53/88/47/910538847.db2.gz XJNYPNBMGFUOEV-UHFFFAOYSA-N 2 1 390.487 3.539 20 0 GHADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC001181141641 910567792 /nfs/dbraw/zinc/56/77/92/910567792.db2.gz WLLQMFTUHLGKCS-QHCPKHFHSA-N 2 1 393.575 3.925 20 0 GHADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC001181141641 910567800 /nfs/dbraw/zinc/56/78/00/910567800.db2.gz WLLQMFTUHLGKCS-QHCPKHFHSA-N 2 1 393.575 3.925 20 0 GHADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC001181141641 910567808 /nfs/dbraw/zinc/56/78/08/910567808.db2.gz WLLQMFTUHLGKCS-QHCPKHFHSA-N 2 1 393.575 3.925 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC001181140215 910567828 /nfs/dbraw/zinc/56/78/28/910567828.db2.gz RKKRTKLAYMVFSC-UHFFFAOYSA-N 2 1 381.520 3.622 20 0 GHADMP c1ccc([C@@H](C[NH+]2CCC[C@]3(CCOC3)C2)C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000639666620 910598955 /nfs/dbraw/zinc/59/89/55/910598955.db2.gz MYDFSJMGSYAOTA-MPIKPJSNSA-N 2 1 398.591 3.775 20 0 GHADMP c1ccc([C@H](C[NH+]2CCC[C@@]3(CCOC3)C2)C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000639666620 910598963 /nfs/dbraw/zinc/59/89/63/910598963.db2.gz MYDFSJMGSYAOTA-MPIKPJSNSA-N 2 1 398.591 3.775 20 0 GHADMP c1ccc([C@H](C[NH+]2CCC[C@@]3(CCOC3)C2)C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000639666620 910598974 /nfs/dbraw/zinc/59/89/74/910598974.db2.gz MYDFSJMGSYAOTA-MPIKPJSNSA-N 2 1 398.591 3.775 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001182320884 911479829 /nfs/dbraw/zinc/47/98/29/911479829.db2.gz XATPUOKZTVRQKB-DHIUTWEWSA-N 2 1 383.580 3.684 20 0 GHADMP CO[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccc(Cl)cc1 ZINC000283370294 911483278 /nfs/dbraw/zinc/48/32/78/911483278.db2.gz CCRPABGFZQZVMP-DBXWQHBBSA-N 2 1 379.976 3.518 20 0 GHADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC001182342385 911513827 /nfs/dbraw/zinc/51/38/27/911513827.db2.gz BCFLJVMGRLEMPO-ZLNRFVROSA-N 2 1 385.596 3.976 20 0 GHADMP Cn1c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)nc2cc(Cl)ccc21 ZINC000283957384 911703898 /nfs/dbraw/zinc/70/38/98/911703898.db2.gz KLGMXEFZWRBDQX-UHFFFAOYSA-N 2 1 398.938 3.990 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cn4cc(Cl)ccc4n3)cc2)CC1 ZINC000284075805 911743817 /nfs/dbraw/zinc/74/38/17/911743817.db2.gz QULCWUWZLFMLLK-UHFFFAOYSA-N 2 1 384.911 3.751 20 0 GHADMP COc1ncc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1Cl ZINC000284166555 911776877 /nfs/dbraw/zinc/77/68/77/911776877.db2.gz FEOONNIUPHMNQL-AWEZNQCLSA-N 2 1 392.931 3.911 20 0 GHADMP C[C@@H]1[C@H](CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C[NH+]1C(c1ccccc1)c1ccccc1 ZINC001186949501 914913525 /nfs/dbraw/zinc/91/35/25/914913525.db2.gz UAYKXZOAOVXBBB-ZRCGQRJVSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@@H]1[C@H](CC(=O)NC[C@@H]2CC[NH+](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949501 914913535 /nfs/dbraw/zinc/91/35/35/914913535.db2.gz UAYKXZOAOVXBBB-ZRCGQRJVSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@@H]1[C@H](CC(=O)NC[C@@H]2CC[NH+](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949501 914913544 /nfs/dbraw/zinc/91/35/44/914913544.db2.gz UAYKXZOAOVXBBB-ZRCGQRJVSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@H](C[NH+](C)C)NC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186950712 914915755 /nfs/dbraw/zinc/91/57/55/914915755.db2.gz MHNXMSAYPLCNGA-DXIQSLLYSA-N 2 1 379.548 3.553 20 0 GHADMP COc1cccc2c1OC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647179111 915071854 /nfs/dbraw/zinc/07/18/54/915071854.db2.gz AAMYCGIVOABTDX-SFTDATJTSA-N 2 1 378.516 3.786 20 0 GHADMP COc1cccc2c1OC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647179111 915071871 /nfs/dbraw/zinc/07/18/71/915071871.db2.gz AAMYCGIVOABTDX-SFTDATJTSA-N 2 1 378.516 3.786 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000647249029 915104722 /nfs/dbraw/zinc/10/47/22/915104722.db2.gz YCQBLVYOCMRWOS-UXHICEINSA-N 2 1 384.520 3.538 20 0 GHADMP COc1cc(Br)ccc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249204 915105716 /nfs/dbraw/zinc/10/57/16/915105716.db2.gz JCNDNXXJLUKXPH-MJGOQNOKSA-N 2 1 389.337 3.893 20 0 GHADMP COc1cc(Br)ccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249204 915105728 /nfs/dbraw/zinc/10/57/28/915105728.db2.gz JCNDNXXJLUKXPH-MJGOQNOKSA-N 2 1 389.337 3.893 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000647900650 915430823 /nfs/dbraw/zinc/43/08/23/915430823.db2.gz DKPRRLLCCQDBJA-MIZPHKNDSA-N 2 1 397.588 3.808 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]21 ZINC000647907952 915434382 /nfs/dbraw/zinc/43/43/82/915434382.db2.gz XDFZFPGAJWKGEK-KTDPBYDISA-N 2 1 397.950 3.605 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]21 ZINC000647907952 915434388 /nfs/dbraw/zinc/43/43/88/915434388.db2.gz XDFZFPGAJWKGEK-KTDPBYDISA-N 2 1 397.950 3.605 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1F ZINC000292009363 915472181 /nfs/dbraw/zinc/47/21/81/915472181.db2.gz BKYXAINPLMDLQX-OAHLLOKOSA-N 2 1 380.467 3.872 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OCc3ccc(F)cc3)c1)CCO2 ZINC000648071560 915508349 /nfs/dbraw/zinc/50/83/49/915508349.db2.gz IHBCCNNOXXYIPU-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OCc3ccc(F)cc3)c1)CCO2 ZINC000648071560 915508359 /nfs/dbraw/zinc/50/83/59/915508359.db2.gz IHBCCNNOXXYIPU-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000292362937 915636177 /nfs/dbraw/zinc/63/61/77/915636177.db2.gz YVNABOYLJWHDPE-WIYYLYMNSA-N 2 1 376.516 3.528 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000648788452 915880425 /nfs/dbraw/zinc/88/04/25/915880425.db2.gz GYNVFYGTJBSXJJ-OPNNQBFTSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000648788452 915880443 /nfs/dbraw/zinc/88/04/43/915880443.db2.gz GYNVFYGTJBSXJJ-OPNNQBFTSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000648788452 915880461 /nfs/dbraw/zinc/88/04/61/915880461.db2.gz GYNVFYGTJBSXJJ-OPNNQBFTSA-N 2 1 397.485 3.545 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@H+]1CC ZINC000648841072 915904597 /nfs/dbraw/zinc/90/45/97/915904597.db2.gz ZWIDVERWQPEAQN-AZUAARDMSA-N 2 1 398.551 3.615 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+]1CC ZINC000648841072 915904610 /nfs/dbraw/zinc/90/46/10/915904610.db2.gz ZWIDVERWQPEAQN-AZUAARDMSA-N 2 1 398.551 3.615 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@H+]1CC ZINC000648841075 915904856 /nfs/dbraw/zinc/90/48/56/915904856.db2.gz ZWIDVERWQPEAQN-UYAOXDASSA-N 2 1 398.551 3.615 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+]1CC ZINC000648841075 915904867 /nfs/dbraw/zinc/90/48/67/915904867.db2.gz ZWIDVERWQPEAQN-UYAOXDASSA-N 2 1 398.551 3.615 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000648850794 915908517 /nfs/dbraw/zinc/90/85/17/915908517.db2.gz IQYLGDSDBJMPJR-GOSISDBHSA-N 2 1 383.540 3.557 20 0 GHADMP [NH3+][C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(Cl)c1 ZINC000649332952 916104341 /nfs/dbraw/zinc/10/43/41/916104341.db2.gz ZZLGPVAJLBSZHF-VTHDOGFWSA-N 2 1 383.923 3.652 20 0 GHADMP Cn1cc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)cs2)cn1 ZINC000649417141 916147497 /nfs/dbraw/zinc/14/74/97/916147497.db2.gz YXQSETXTIKGWCZ-RXVVDRJESA-N 2 1 395.576 3.716 20 0 GHADMP Cn1cc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)cs2)cn1 ZINC000649417141 916147507 /nfs/dbraw/zinc/14/75/07/916147507.db2.gz YXQSETXTIKGWCZ-RXVVDRJESA-N 2 1 395.576 3.716 20 0 GHADMP CSCc1cnc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000293403852 916180522 /nfs/dbraw/zinc/18/05/22/916180522.db2.gz YKCOYTNSGWLGOF-UHFFFAOYSA-N 2 1 377.579 3.769 20 0 GHADMP CC(C)O[C@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](OC(C)C)C3)c2)C1 ZINC000649703877 916343867 /nfs/dbraw/zinc/34/38/67/916343867.db2.gz OVASSHGJUYPBTP-GOTSBHOMSA-N 2 1 389.584 3.860 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724024 917249666 /nfs/dbraw/zinc/24/96/66/917249666.db2.gz XIKGASVGSPHJBM-QZNHQXDQSA-N 2 1 381.520 3.618 20 0 GHADMP O=C(CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000295292880 917254430 /nfs/dbraw/zinc/25/44/30/917254430.db2.gz LRRQLGOOMIEZJB-DEOSSOPVSA-N 2 1 391.559 3.542 20 0 GHADMP O=C(CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000295292880 917254433 /nfs/dbraw/zinc/25/44/33/917254433.db2.gz LRRQLGOOMIEZJB-DEOSSOPVSA-N 2 1 391.559 3.542 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000651192838 917502943 /nfs/dbraw/zinc/50/29/43/917502943.db2.gz CVCRCXUACOJQTM-RBBKRZOGSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651192838 917502945 /nfs/dbraw/zinc/50/29/45/917502945.db2.gz CVCRCXUACOJQTM-RBBKRZOGSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000651192838 917502954 /nfs/dbraw/zinc/50/29/54/917502954.db2.gz CVCRCXUACOJQTM-RBBKRZOGSA-N 2 1 388.600 3.659 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000363372405 918166727 /nfs/dbraw/zinc/16/67/27/918166727.db2.gz WVKQBTXSSBDTPK-HUUCEWRRSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000363372405 918166732 /nfs/dbraw/zinc/16/67/32/918166732.db2.gz WVKQBTXSSBDTPK-HUUCEWRRSA-N 2 1 383.330 3.573 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2)CC1 ZINC000296812058 918792544 /nfs/dbraw/zinc/79/25/44/918792544.db2.gz ITNDLYPMXWLUNZ-HSZRJFAPSA-N 2 1 384.568 3.521 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000654482680 919144915 /nfs/dbraw/zinc/14/49/15/919144915.db2.gz VOLYLPAZNHKEFD-NDXORKPFSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000654482680 919144925 /nfs/dbraw/zinc/14/49/25/919144925.db2.gz VOLYLPAZNHKEFD-NDXORKPFSA-N 2 1 381.524 3.558 20 0 GHADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc(Cl)c1O ZINC000297399012 919293559 /nfs/dbraw/zinc/29/35/59/919293559.db2.gz KGMQPUIDASROSJ-SJPCQFCGSA-N 2 1 382.932 3.518 20 0 GHADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc(Cl)c1O ZINC000297399012 919293569 /nfs/dbraw/zinc/29/35/69/919293569.db2.gz KGMQPUIDASROSJ-SJPCQFCGSA-N 2 1 382.932 3.518 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc(Cl)c1O ZINC000297399012 919293580 /nfs/dbraw/zinc/29/35/80/919293580.db2.gz KGMQPUIDASROSJ-SJPCQFCGSA-N 2 1 382.932 3.518 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc(Cl)c1O ZINC000297399012 919293590 /nfs/dbraw/zinc/29/35/90/919293590.db2.gz KGMQPUIDASROSJ-SJPCQFCGSA-N 2 1 382.932 3.518 20 0 GHADMP CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000800507470 920211418 /nfs/dbraw/zinc/21/14/18/920211418.db2.gz QQUXWIRUULEPEN-UHFFFAOYSA-N 2 1 380.558 3.798 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000298283373 920367258 /nfs/dbraw/zinc/36/72/58/920367258.db2.gz GZPRDJKMWQKGDW-UHFFFAOYSA-N 3 1 393.579 3.941 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(-n2ccnc2)c1 ZINC000902727803 922441076 /nfs/dbraw/zinc/44/10/76/922441076.db2.gz CQQPNUCJUSKZBQ-IBGZPJMESA-N 2 1 376.504 3.555 20 0 GHADMP c1ccc([C@@H](CCc2cccnc2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000902802134 922506151 /nfs/dbraw/zinc/50/61/51/922506151.db2.gz INWXXYAHWFGIBP-BJKOFHAPSA-N 2 1 379.548 3.989 20 0 GHADMP Brc1cnn(CCCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000368442372 922676616 /nfs/dbraw/zinc/67/66/16/922676616.db2.gz OPILMYXUVWOALH-UHFFFAOYSA-N 2 1 391.357 3.680 20 0 GHADMP COc1ccc([C@@H](C)[NH2+][C@H](c2nncn2C)C(C)C)cc1C[NH+]1CCCCC1 ZINC000903064523 922740276 /nfs/dbraw/zinc/74/02/76/922740276.db2.gz NGWCYYKAKLPWAF-UTKZUKDTSA-N 2 1 385.556 3.858 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147298 922807684 /nfs/dbraw/zinc/80/76/84/922807684.db2.gz GVLQKHUFWOGWRK-ZJSXRUAMSA-N 2 1 398.522 3.650 20 0 GHADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000903147515 922808444 /nfs/dbraw/zinc/80/84/44/922808444.db2.gz JZASHIFMAGKIEQ-KOSHJBKYSA-N 2 1 396.531 3.557 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1=O ZINC000903176727 922834672 /nfs/dbraw/zinc/83/46/72/922834672.db2.gz DHIRCMAILMPYPC-UVRNDJDVSA-N 2 1 385.527 3.625 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1=O ZINC000903176727 922834679 /nfs/dbraw/zinc/83/46/79/922834679.db2.gz DHIRCMAILMPYPC-UVRNDJDVSA-N 2 1 385.527 3.625 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000369137981 923141590 /nfs/dbraw/zinc/14/15/90/923141590.db2.gz DNVHUZUEKSLQPG-IDJJCAIYSA-N 2 1 398.595 3.698 20 0 GHADMP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908373 923390126 /nfs/dbraw/zinc/39/01/26/923390126.db2.gz HQZDPVHPKLYIFY-WMLDXEAASA-N 2 1 381.446 3.805 20 0 GHADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908373 923390132 /nfs/dbraw/zinc/39/01/32/923390132.db2.gz HQZDPVHPKLYIFY-WMLDXEAASA-N 2 1 381.446 3.805 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OCc1cccs1 ZINC000903957425 923437658 /nfs/dbraw/zinc/43/76/58/923437658.db2.gz QRLWBERBOCKUOR-HNNXBMFYSA-N 2 1 382.476 3.670 20 0 GHADMP CC(C)CC[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370266315 923997308 /nfs/dbraw/zinc/99/73/08/923997308.db2.gz SXNRRORZRPLPKE-LJQANCHMSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccccc1 ZINC000370725729 924276307 /nfs/dbraw/zinc/27/63/07/924276307.db2.gz VKDITCMKFCDKHQ-RJGXRXQPSA-N 2 1 394.563 3.616 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000371109038 924431080 /nfs/dbraw/zinc/43/10/80/924431080.db2.gz NFSOHMMMCCOBRI-LJQANCHMSA-N 2 1 399.501 3.575 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000677830806 924513300 /nfs/dbraw/zinc/51/33/00/924513300.db2.gz JTBALVVVUAPHLZ-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)s2)cc1 ZINC000371333604 924531504 /nfs/dbraw/zinc/53/15/04/924531504.db2.gz VLMDPYSAGLODBC-HXUWFJFHSA-N 2 1 384.593 3.719 20 0 GHADMP c1coc(C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]2CCCO2)c1 ZINC000678211237 924665855 /nfs/dbraw/zinc/66/58/55/924665855.db2.gz POYFYIKHPSWHMB-HSZRJFAPSA-N 2 1 384.520 3.935 20 0 GHADMP c1coc(C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]2CCCO2)c1 ZINC000678211237 924665860 /nfs/dbraw/zinc/66/58/60/924665860.db2.gz POYFYIKHPSWHMB-HSZRJFAPSA-N 2 1 384.520 3.935 20 0 GHADMP Cc1cc([C@H]([NH3+])CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc(Cl)n1 ZINC000827050288 924684462 /nfs/dbraw/zinc/68/44/62/924684462.db2.gz WKPVTKMMVMHGEE-LJQANCHMSA-N 2 1 388.943 3.590 20 0 GHADMP C[N@H+](CCCO)C1CC[NH+](Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000678267345 924697564 /nfs/dbraw/zinc/69/75/64/924697564.db2.gz PDXAPFUEZWEMEQ-UHFFFAOYSA-N 2 1 391.559 3.968 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000678267345 924697573 /nfs/dbraw/zinc/69/75/73/924697573.db2.gz PDXAPFUEZWEMEQ-UHFFFAOYSA-N 2 1 391.559 3.968 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)c2)CC1 ZINC000678322091 924724097 /nfs/dbraw/zinc/72/40/97/924724097.db2.gz DVKCHEXGAWNODX-JOCHJYFZSA-N 2 1 384.568 3.567 20 0 GHADMP CC(C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638839 924858929 /nfs/dbraw/zinc/85/89/29/924858929.db2.gz YHHVAEOPNBOHGT-LWSSLDFYSA-N 2 1 392.628 3.900 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000678925369 924975757 /nfs/dbraw/zinc/97/57/57/924975757.db2.gz ZWYNQVPAIXCHCX-QHCPKHFHSA-N 2 1 386.511 3.950 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000679042656 925008190 /nfs/dbraw/zinc/00/81/90/925008190.db2.gz CDBLXIFWZGURTM-NQHRYMMQSA-N 2 1 399.623 3.646 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000680271363 925418830 /nfs/dbraw/zinc/41/88/30/925418830.db2.gz WDTPEJBOZDACIK-XPWALMASSA-N 2 1 383.580 3.524 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000680328873 925444828 /nfs/dbraw/zinc/44/48/28/925444828.db2.gz JVHMLNFBQQRLKF-IBGZPJMESA-N 2 1 375.520 3.672 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410373344 925585991 /nfs/dbraw/zinc/58/59/91/925585991.db2.gz XEAVGFDREMQZGW-HXUWFJFHSA-N 2 1 388.600 3.648 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000410367902 925589587 /nfs/dbraw/zinc/58/95/87/925589587.db2.gz OVVCTDFOXUDGCD-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410367902 925589603 /nfs/dbraw/zinc/58/96/03/925589603.db2.gz OVVCTDFOXUDGCD-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410367902 925589609 /nfs/dbraw/zinc/58/96/09/925589609.db2.gz OVVCTDFOXUDGCD-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001137447979 925819474 /nfs/dbraw/zinc/81/94/74/925819474.db2.gz KXXBYJDOLCCGNL-SZPZYZBQSA-N 2 1 399.579 3.753 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001137447979 925819475 /nfs/dbraw/zinc/81/94/75/925819475.db2.gz KXXBYJDOLCCGNL-SZPZYZBQSA-N 2 1 399.579 3.753 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001137447979 925819478 /nfs/dbraw/zinc/81/94/78/925819478.db2.gz KXXBYJDOLCCGNL-SZPZYZBQSA-N 2 1 399.579 3.753 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001137447979 925819482 /nfs/dbraw/zinc/81/94/82/925819482.db2.gz KXXBYJDOLCCGNL-SZPZYZBQSA-N 2 1 399.579 3.753 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C[C@H]2C1 ZINC001137447978 925819854 /nfs/dbraw/zinc/81/98/54/925819854.db2.gz KXXBYJDOLCCGNL-FGZHOGPDSA-N 2 1 399.579 3.753 20 0 GHADMP c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc1C[NH+]1CCCCC1 ZINC000411251412 926250580 /nfs/dbraw/zinc/25/05/80/926250580.db2.gz IDHASPFOCCZBJK-NRFANRHFSA-N 2 1 379.552 3.590 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000373563915 926251274 /nfs/dbraw/zinc/25/12/74/926251274.db2.gz QIQHEUNBVFUNJE-RMRDIRSESA-N 2 1 397.485 3.593 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411531799 926491648 /nfs/dbraw/zinc/49/16/48/926491648.db2.gz LOVHXCKGRQAVPA-RTBURBONSA-N 2 1 397.538 3.530 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411553704 926507929 /nfs/dbraw/zinc/50/79/29/926507929.db2.gz RPSGCOOPCTXPGA-XUZZJYLKSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411553704 926507936 /nfs/dbraw/zinc/50/79/36/926507936.db2.gz RPSGCOOPCTXPGA-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411553704 926507946 /nfs/dbraw/zinc/50/79/46/926507946.db2.gz RPSGCOOPCTXPGA-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411553704 926507953 /nfs/dbraw/zinc/50/79/53/926507953.db2.gz RPSGCOOPCTXPGA-XUZZJYLKSA-N 2 1 387.612 3.899 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000411548553 926512228 /nfs/dbraw/zinc/51/22/28/926512228.db2.gz FDJCEZZJBQJFJB-PGRDOPGGSA-N 2 1 381.520 3.524 20 0 GHADMP FC(F)(F)Cn1ccnc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374797286 927532960 /nfs/dbraw/zinc/53/29/60/927532960.db2.gz GVFDWOXSNIDSPB-BCDXTJNWSA-N 2 1 378.442 3.731 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796917 927533384 /nfs/dbraw/zinc/53/33/84/927533384.db2.gz DJODXRFAVGZQKM-RBUKOAKNSA-N 2 1 387.572 3.592 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796917 927533395 /nfs/dbraw/zinc/53/33/95/927533395.db2.gz DJODXRFAVGZQKM-RBUKOAKNSA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796917 927533404 /nfs/dbraw/zinc/53/34/04/927533404.db2.gz DJODXRFAVGZQKM-RBUKOAKNSA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796917 927533407 /nfs/dbraw/zinc/53/34/07/927533407.db2.gz DJODXRFAVGZQKM-RBUKOAKNSA-N 2 1 387.572 3.592 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC/C=C\c1ccccc1 ZINC000751098029 928029236 /nfs/dbraw/zinc/02/92/36/928029236.db2.gz SARJDLGPJYNIQF-TWGQIWQCSA-N 2 1 398.595 3.538 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1csc(Cl)c1 ZINC000466990293 928569661 /nfs/dbraw/zinc/56/96/61/928569661.db2.gz WGAIEIHDSPFFOF-UHFFFAOYSA-N 2 1 383.989 3.670 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000467375560 929012936 /nfs/dbraw/zinc/01/29/36/929012936.db2.gz FHXXKMIBNCUSJO-AOHZBQACSA-N 2 1 379.548 3.643 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000467375560 929012944 /nfs/dbraw/zinc/01/29/44/929012944.db2.gz FHXXKMIBNCUSJO-AOHZBQACSA-N 2 1 379.548 3.643 20 0 GHADMP CC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000752801775 929030642 /nfs/dbraw/zinc/03/06/42/929030642.db2.gz FHBXRPNYTWDYPO-GOSISDBHSA-N 2 1 391.625 3.970 20 0 GHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)c(OC)c1 ZINC000544351876 929083015 /nfs/dbraw/zinc/08/30/15/929083015.db2.gz ZHDXRVMNYBBQSD-OAQYLSRUSA-N 2 1 378.476 3.930 20 0 GHADMP CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000467717941 929334592 /nfs/dbraw/zinc/33/45/92/929334592.db2.gz JCNIRNOZBSMFCC-ILZDJORESA-N 2 1 397.485 3.737 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C ZINC000753627675 929452488 /nfs/dbraw/zinc/45/24/88/929452488.db2.gz ZYDHDASILZNRBN-FQEVSTJZSA-N 2 1 381.564 3.910 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1Br ZINC000469492239 929937491 /nfs/dbraw/zinc/93/74/91/929937491.db2.gz PWRBIOIIVMTJKP-GOSISDBHSA-N 2 1 394.357 3.856 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1Br ZINC000469492239 929937498 /nfs/dbraw/zinc/93/74/98/929937498.db2.gz PWRBIOIIVMTJKP-GOSISDBHSA-N 2 1 394.357 3.856 20 0 GHADMP CC[NH+](CC)CCSCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469835357 930192390 /nfs/dbraw/zinc/19/23/90/930192390.db2.gz FDZQNFGXGQOTFF-FPOVZHCZSA-N 2 1 391.625 3.573 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000546747662 930398636 /nfs/dbraw/zinc/39/86/36/930398636.db2.gz YCHKVGMBNSEZGV-SBHAEUEKSA-N 2 1 392.632 3.649 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000470295030 930514904 /nfs/dbraw/zinc/51/49/04/930514904.db2.gz CECNEBVPFQQXHK-ILWGZMRPSA-N 2 1 388.600 3.657 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000470295030 930514906 /nfs/dbraw/zinc/51/49/06/930514906.db2.gz CECNEBVPFQQXHK-ILWGZMRPSA-N 2 1 388.600 3.657 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000470295030 930514911 /nfs/dbraw/zinc/51/49/11/930514911.db2.gz CECNEBVPFQQXHK-ILWGZMRPSA-N 2 1 388.600 3.657 20 0 GHADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000470373166 930569673 /nfs/dbraw/zinc/56/96/73/930569673.db2.gz MZSRDNQVIIKZBK-UHFFFAOYSA-N 2 1 397.522 3.837 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000470377482 930571446 /nfs/dbraw/zinc/57/14/46/930571446.db2.gz SKNRZALYNHHAFV-UHFFFAOYSA-N 2 1 377.532 3.984 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000470493375 930662773 /nfs/dbraw/zinc/66/27/73/930662773.db2.gz JSKSSDBBDRGVDS-NHCUHLMSSA-N 2 1 380.621 3.791 20 0 GHADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000470766181 930892857 /nfs/dbraw/zinc/89/28/57/930892857.db2.gz OOQYLJXNAZWPEQ-RUZDIDTESA-N 2 1 389.543 3.987 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(C(F)F)c3)CC2)C[C@H](C)O1 ZINC000470779442 930906423 /nfs/dbraw/zinc/90/64/23/930906423.db2.gz ADERMMYMWWXUMU-IRXDYDNUSA-N 2 1 382.495 3.714 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)C2CCOCC2)C1 ZINC000782778320 931333503 /nfs/dbraw/zinc/33/35/03/931333503.db2.gz LKWNVFIMFBJMQO-BJKOFHAPSA-N 2 1 380.532 3.511 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782778333 931333533 /nfs/dbraw/zinc/33/35/33/931333533.db2.gz LLBJHCKGEYCNLS-JWQCQUIFSA-N 2 1 394.559 3.901 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000782948564 931372974 /nfs/dbraw/zinc/37/29/74/931372974.db2.gz LCQQYFVUWKDFJY-RXVVDRJESA-N 2 1 385.552 3.505 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000782948564 931372979 /nfs/dbraw/zinc/37/29/79/931372979.db2.gz LCQQYFVUWKDFJY-RXVVDRJESA-N 2 1 385.552 3.505 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000782948564 931372989 /nfs/dbraw/zinc/37/29/89/931372989.db2.gz LCQQYFVUWKDFJY-RXVVDRJESA-N 2 1 385.552 3.505 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CC2)cs1 ZINC000925030262 931618457 /nfs/dbraw/zinc/61/84/57/931618457.db2.gz HHCHQZCJURVFFP-NQIIRXRSSA-N 2 1 377.598 3.712 20 0 GHADMP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000925217044 931705575 /nfs/dbraw/zinc/70/55/75/931705575.db2.gz VSKGUSXJENWUAC-HSZRJFAPSA-N 2 1 378.520 3.533 20 0 GHADMP OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925617318 931840014 /nfs/dbraw/zinc/84/00/14/931840014.db2.gz PUPOSPGYLJQDAR-OFQYZJKJSA-N 2 1 394.559 3.646 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000796797349 932071203 /nfs/dbraw/zinc/07/12/03/932071203.db2.gz UHQXIBFXIGUDAA-XQUALCHDSA-N 2 1 380.532 3.761 20 0 GHADMP Cc1cccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccn2)c1 ZINC000926691687 932274011 /nfs/dbraw/zinc/27/40/11/932274011.db2.gz URYBYNFQYGCUGK-ZCYQVOJMSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1cccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccn2)c1 ZINC000926691687 932274013 /nfs/dbraw/zinc/27/40/13/932274013.db2.gz URYBYNFQYGCUGK-ZCYQVOJMSA-N 2 1 387.527 3.836 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1csc(C(F)(F)F)c1)C2 ZINC000926879954 932334774 /nfs/dbraw/zinc/33/47/74/932334774.db2.gz MZOQXHFSQYDQJS-WEBKGQRMSA-N 2 1 376.488 3.897 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000798415528 932638823 /nfs/dbraw/zinc/63/88/23/932638823.db2.gz GETJYCFSDOKBFR-REWPJTCUSA-N 2 1 388.600 3.564 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798499376 932674972 /nfs/dbraw/zinc/67/49/72/932674972.db2.gz QCPZZEPTOWLGGD-DEOSSOPVSA-N 2 1 390.531 3.883 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798499376 932674979 /nfs/dbraw/zinc/67/49/79/932674979.db2.gz QCPZZEPTOWLGGD-DEOSSOPVSA-N 2 1 390.531 3.883 20 0 GHADMP O=C(C[NH+]1CCCCCCC1)Nc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000777663142 932749233 /nfs/dbraw/zinc/74/92/33/932749233.db2.gz AWZBDQOOHITWLE-FCHUYYIVSA-N 2 1 384.568 3.930 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000798947595 932831598 /nfs/dbraw/zinc/83/15/98/932831598.db2.gz IIRQUZWTXVFCGP-XQBPLPMBSA-N 2 1 381.605 3.981 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000559842337 932899762 /nfs/dbraw/zinc/89/97/62/932899762.db2.gz MDTZAIPYJQNERZ-BDTNDASRSA-N 2 1 378.520 3.718 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000559842337 932899781 /nfs/dbraw/zinc/89/97/81/932899781.db2.gz MDTZAIPYJQNERZ-BDTNDASRSA-N 2 1 378.520 3.718 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cs2)cc1 ZINC000799178957 932900618 /nfs/dbraw/zinc/90/06/18/932900618.db2.gz UCKAVWGFBHEYDC-UHFFFAOYSA-N 2 1 399.560 3.905 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCC3)C2)CC1 ZINC000799178263 932901015 /nfs/dbraw/zinc/90/10/15/932901015.db2.gz JKXAHUHOFLDTFJ-QHCPKHFHSA-N 2 1 383.580 3.842 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)CC2)cc1 ZINC001115893321 933234282 /nfs/dbraw/zinc/23/42/82/933234282.db2.gz VMNQGOGQHUNBLQ-XMMPIXPASA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC001115893321 933234288 /nfs/dbraw/zinc/23/42/88/933234288.db2.gz VMNQGOGQHUNBLQ-XMMPIXPASA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC001115893321 933234296 /nfs/dbraw/zinc/23/42/96/933234296.db2.gz VMNQGOGQHUNBLQ-XMMPIXPASA-N 2 1 391.559 3.694 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000560546300 933330903 /nfs/dbraw/zinc/33/09/03/933330903.db2.gz YMXPVZNCYLJAMQ-CMKODMSKSA-N 2 1 393.531 3.969 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561043045 933811224 /nfs/dbraw/zinc/81/12/24/933811224.db2.gz FJHWJNHWRXAZFY-HXUWFJFHSA-N 2 1 392.547 3.756 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)c2)cc1 ZINC000561396238 934116711 /nfs/dbraw/zinc/11/67/11/934116711.db2.gz XOUXINXOTACEKH-NFBKMPQASA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2)cc1 ZINC000561396238 934116718 /nfs/dbraw/zinc/11/67/18/934116718.db2.gz XOUXINXOTACEKH-NFBKMPQASA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c2)cc1 ZINC000561396238 934116725 /nfs/dbraw/zinc/11/67/25/934116725.db2.gz XOUXINXOTACEKH-NFBKMPQASA-N 2 1 393.531 3.864 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000561400986 934125446 /nfs/dbraw/zinc/12/54/46/934125446.db2.gz HEZBMKHBXCBPSX-LJQANCHMSA-N 2 1 383.565 3.800 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000561400986 934125453 /nfs/dbraw/zinc/12/54/53/934125453.db2.gz HEZBMKHBXCBPSX-LJQANCHMSA-N 2 1 383.565 3.800 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C12CCC[NH+]1CCC2 ZINC001118777800 934238404 /nfs/dbraw/zinc/23/84/04/934238404.db2.gz DWWRVXUTMXCIOF-UHFFFAOYSA-N 2 1 396.362 3.702 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCSc3ccncc3)C2)ccn1 ZINC000931093944 934374563 /nfs/dbraw/zinc/37/45/63/934374563.db2.gz JZCIXXCRGFDGEA-HXUWFJFHSA-N 2 1 386.565 3.562 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCSc3ccncc3)C2)ccn1 ZINC000931093944 934374574 /nfs/dbraw/zinc/37/45/74/934374574.db2.gz JZCIXXCRGFDGEA-HXUWFJFHSA-N 2 1 386.565 3.562 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@]3(C)Br)CC2)cs1 ZINC001119949369 934424325 /nfs/dbraw/zinc/42/43/25/934424325.db2.gz XTKSGACHPGEOKY-PBHICJAKSA-N 2 1 386.403 3.681 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4c3ccc(OC)c4F)cc2)CC1 ZINC000561773104 934440876 /nfs/dbraw/zinc/44/08/76/934440876.db2.gz VVDQKRVSZSYBOG-JOCHJYFZSA-N 2 1 397.538 3.749 20 0 GHADMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@@]2(C)C1 ZINC000931306482 934496235 /nfs/dbraw/zinc/49/62/35/934496235.db2.gz GYYXPKZJHBZLGP-DNVJHFABSA-N 2 1 397.588 3.617 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000562082635 934680389 /nfs/dbraw/zinc/68/03/89/934680389.db2.gz RPCCZJSTTUUUOF-QHCPKHFHSA-N 2 1 389.547 3.968 20 0 GHADMP Cn1nccc1[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932262236 934863013 /nfs/dbraw/zinc/86/30/13/934863013.db2.gz VBUUDMSNGVYRCV-VXKWHMMOSA-N 2 1 384.572 3.688 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 ZINC001137611058 935626134 /nfs/dbraw/zinc/62/61/34/935626134.db2.gz NQAZZXYKVNGYIV-VIZSFHNOSA-N 2 1 397.538 3.578 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001137992163 935913101 /nfs/dbraw/zinc/91/31/01/935913101.db2.gz KSULVMYZAHEAPF-SFHVURJKSA-N 2 1 388.483 3.683 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC001220702330 1032071479 /nfs/dbraw/zinc/07/14/79/1032071479.db2.gz MTLPRPQCUFTTEE-HXUWFJFHSA-N 2 1 380.621 3.698 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1OC ZINC000532220835 1014561640 /nfs/dbraw/zinc/56/16/40/1014561640.db2.gz NJAAEVNSUIMICZ-GHTZIAJQSA-N 2 1 398.547 3.755 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1OC ZINC000532220835 1014561652 /nfs/dbraw/zinc/56/16/52/1014561652.db2.gz NJAAEVNSUIMICZ-GHTZIAJQSA-N 2 1 398.547 3.755 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC000468391492 1015658574 /nfs/dbraw/zinc/65/85/74/1015658574.db2.gz FARPPTQQFKLTKB-UZUQRXQVSA-N 2 1 384.568 3.719 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC000468391492 1015658580 /nfs/dbraw/zinc/65/85/80/1015658580.db2.gz FARPPTQQFKLTKB-UZUQRXQVSA-N 2 1 384.568 3.719 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC000468391492 1015658583 /nfs/dbraw/zinc/65/85/83/1015658583.db2.gz FARPPTQQFKLTKB-UZUQRXQVSA-N 2 1 384.568 3.719 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC000468391492 1015658587 /nfs/dbraw/zinc/65/85/87/1015658587.db2.gz FARPPTQQFKLTKB-UZUQRXQVSA-N 2 1 384.568 3.719 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000468427744 1015697187 /nfs/dbraw/zinc/69/71/87/1015697187.db2.gz IABZEUFRXVINGP-YKSBVNFPSA-N 2 1 393.575 3.803 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC001220883003 1032172489 /nfs/dbraw/zinc/17/24/89/1032172489.db2.gz FQTDQGGGLXFDFF-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC001220883003 1032172507 /nfs/dbraw/zinc/17/25/07/1032172507.db2.gz FQTDQGGGLXFDFF-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+](CC)C1 ZINC001220883003 1032172514 /nfs/dbraw/zinc/17/25/14/1032172514.db2.gz FQTDQGGGLXFDFF-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001221063513 1032263318 /nfs/dbraw/zinc/26/33/18/1032263318.db2.gz YIHGWQGFIZFJOB-RJGXRXQPSA-N 2 1 377.532 3.651 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001221088848 1032279804 /nfs/dbraw/zinc/27/98/04/1032279804.db2.gz YCTBIALKFGNUNM-OALUTQOASA-N 2 1 390.597 3.591 20 0 GHADMP CC(C)Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncn1 ZINC001155360716 1032518036 /nfs/dbraw/zinc/51/80/36/1032518036.db2.gz BGNYZVIKVYVHDE-NRFANRHFSA-N 2 1 393.579 3.589 20 0 GHADMP c1nc2ccnc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2s1 ZINC001155361508 1032519279 /nfs/dbraw/zinc/51/92/79/1032519279.db2.gz AUSCLCDEXRYOLP-SFHVURJKSA-N 2 1 393.560 3.605 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001221794393 1032537109 /nfs/dbraw/zinc/53/71/09/1032537109.db2.gz LJEBVHVNKMZSQW-QFIPXVFZSA-N 2 1 395.551 3.701 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)C[C@H](C)O1 ZINC000560574155 1017664418 /nfs/dbraw/zinc/66/44/18/1017664418.db2.gz OLUMCOVEEWOPSR-KDURUIRLSA-N 2 1 382.552 3.788 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001227962784 1032717539 /nfs/dbraw/zinc/71/75/39/1032717539.db2.gz QYKFQYQBCNHJCM-OFNKIYASSA-N 2 1 394.563 3.514 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000562751903 1018603248 /nfs/dbraw/zinc/60/32/48/1018603248.db2.gz VPLXZWIHWSGKOJ-OALUTQOASA-N 2 1 375.513 3.668 20 0 GHADMP C(C[NH+]1CCC[C@H](C2CCOCC2)C1)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080421 1018838420 /nfs/dbraw/zinc/83/84/20/1018838420.db2.gz DKSHLBAAWSNPJW-GOTSBHOMSA-N 2 1 378.601 3.654 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000563377177 1018909284 /nfs/dbraw/zinc/90/92/84/1018909284.db2.gz RQSLXDXTVTXTJN-DEOSSOPVSA-N 2 1 397.607 3.807 20 0 GHADMP CC[NH+]1CCC(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000567125926 1019269854 /nfs/dbraw/zinc/26/98/54/1019269854.db2.gz KOWFJNDFOOPNOM-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001155997462 1032830799 /nfs/dbraw/zinc/83/07/99/1032830799.db2.gz CAQWWUVRFOWOSB-JOCHJYFZSA-N 2 1 378.520 3.774 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000570190008 1019566888 /nfs/dbraw/zinc/56/68/88/1019566888.db2.gz XFRTXUYNSNOHLP-HXUWFJFHSA-N 2 1 379.504 3.881 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573306940 1019827833 /nfs/dbraw/zinc/82/78/33/1019827833.db2.gz ZEPRKGYYWDNAEY-HNAYVOBHSA-N 2 1 390.890 3.752 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577492267 1020210903 /nfs/dbraw/zinc/21/09/03/1020210903.db2.gz KIBBPKWJBXVTAY-VXKWHMMOSA-N 2 1 380.532 3.522 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577492267 1020210919 /nfs/dbraw/zinc/21/09/19/1020210919.db2.gz KIBBPKWJBXVTAY-VXKWHMMOSA-N 2 1 380.532 3.522 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCc3nnc4n3CCCCC4)CC[N@@H+]2C2CC2)cc1 ZINC000638511378 1021045246 /nfs/dbraw/zinc/04/52/46/1021045246.db2.gz OPMBLUMDGVLQHF-UNMCSNQZSA-N 2 1 393.579 3.895 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCc3nnc4n3CCCCC4)CC[N@H+]2C2CC2)cc1 ZINC000638511378 1021045251 /nfs/dbraw/zinc/04/52/51/1021045251.db2.gz OPMBLUMDGVLQHF-UNMCSNQZSA-N 2 1 393.579 3.895 20 0 GHADMP Oc1cccc2[nH]cc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c21 ZINC001140232301 1021203472 /nfs/dbraw/zinc/20/34/72/1021203472.db2.gz APAAGBWELLZTCS-UHFFFAOYSA-N 2 1 376.504 3.757 20 0 GHADMP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1Cc1ccccc1 ZINC001140249278 1021224294 /nfs/dbraw/zinc/22/42/94/1021224294.db2.gz XALPZHIRLVWXDD-XMMPIXPASA-N 2 1 391.559 3.671 20 0 GHADMP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H]1Cc1ccccc1 ZINC001140249278 1021224302 /nfs/dbraw/zinc/22/43/02/1021224302.db2.gz XALPZHIRLVWXDD-XMMPIXPASA-N 2 1 391.559 3.671 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(Br)cs1 ZINC000834518038 1021239915 /nfs/dbraw/zinc/23/99/15/1021239915.db2.gz DAFOUPFCSJNRKQ-GFCCVEGCSA-N 2 1 384.343 3.697 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C3CC[NH+](CC(C)C)CC3)C2)s1 ZINC001140260678 1021277794 /nfs/dbraw/zinc/27/77/94/1021277794.db2.gz AURODAAWWLDXSD-IBGZPJMESA-N 2 1 391.625 3.705 20 0 GHADMP C[N@@H+](Cc1ccc(N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)nc1)C1CC1 ZINC001156318108 1032982394 /nfs/dbraw/zinc/98/23/94/1032982394.db2.gz QJJBDEWZKKHDMK-MDNUFGMLSA-N 2 1 376.548 3.998 20 0 GHADMP C[NH+](Cc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1)C1CC1 ZINC001156318108 1032982397 /nfs/dbraw/zinc/98/23/97/1032982397.db2.gz QJJBDEWZKKHDMK-MDNUFGMLSA-N 2 1 376.548 3.998 20 0 GHADMP C[NH+](Cc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1)C1CC1 ZINC001156318108 1032982403 /nfs/dbraw/zinc/98/24/03/1032982403.db2.gz QJJBDEWZKKHDMK-MDNUFGMLSA-N 2 1 376.548 3.998 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c(Oc2ccccc2)c1 ZINC000903922934 1021656462 /nfs/dbraw/zinc/65/64/62/1021656462.db2.gz HQCPTCKAXGGJPR-IBGZPJMESA-N 2 1 377.492 3.593 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001137309159 1021877534 /nfs/dbraw/zinc/87/75/34/1021877534.db2.gz BHUYUCSCWXKGKL-OAQYLSRUSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001137309159 1021877543 /nfs/dbraw/zinc/87/75/43/1021877543.db2.gz BHUYUCSCWXKGKL-OAQYLSRUSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001137309159 1021877554 /nfs/dbraw/zinc/87/75/54/1021877554.db2.gz BHUYUCSCWXKGKL-OAQYLSRUSA-N 2 1 385.596 3.664 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)ccc1O ZINC001140576607 1021996576 /nfs/dbraw/zinc/99/65/76/1021996576.db2.gz BRZXRFMLEMLKSD-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)ccc1O ZINC001140576607 1021996579 /nfs/dbraw/zinc/99/65/79/1021996579.db2.gz BRZXRFMLEMLKSD-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)ccc1O ZINC001140576607 1021996582 /nfs/dbraw/zinc/99/65/82/1021996582.db2.gz BRZXRFMLEMLKSD-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)ccc1O ZINC001140576607 1021996587 /nfs/dbraw/zinc/99/65/87/1021996587.db2.gz BRZXRFMLEMLKSD-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000679700348 1022037411 /nfs/dbraw/zinc/03/74/11/1022037411.db2.gz GWFSPORPQDLBDN-UHFFFAOYSA-N 2 1 392.503 3.728 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(C)c1 ZINC001140674678 1022230306 /nfs/dbraw/zinc/23/03/06/1022230306.db2.gz YRPBKIHKNLPECZ-HXUWFJFHSA-N 2 1 384.520 3.852 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(Br)c1O ZINC001204735034 1033053754 /nfs/dbraw/zinc/05/37/54/1033053754.db2.gz JTJIJOOOOZCUEW-UHFFFAOYSA-N 2 1 383.330 3.519 20 0 GHADMP Cn1cnc2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001140746329 1022418348 /nfs/dbraw/zinc/41/83/48/1022418348.db2.gz ILHQHKUYTOZRBP-XKCSPQBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001140746329 1022418353 /nfs/dbraw/zinc/41/83/53/1022418353.db2.gz ILHQHKUYTOZRBP-XKCSPQBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001140746329 1022418360 /nfs/dbraw/zinc/41/83/60/1022418360.db2.gz ILHQHKUYTOZRBP-XKCSPQBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc21 ZINC001140746329 1022418367 /nfs/dbraw/zinc/41/83/67/1022418367.db2.gz ILHQHKUYTOZRBP-XKCSPQBFSA-N 2 1 389.547 3.701 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801444 1022570343 /nfs/dbraw/zinc/57/03/43/1022570343.db2.gz NUFRGUGMUCHUCG-NRFANRHFSA-N 2 1 380.517 3.753 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801444 1022570350 /nfs/dbraw/zinc/57/03/50/1022570350.db2.gz NUFRGUGMUCHUCG-NRFANRHFSA-N 2 1 380.517 3.753 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803611 1022573103 /nfs/dbraw/zinc/57/31/03/1022573103.db2.gz UCMGBTMPPSKSBB-HSZRJFAPSA-N 2 1 392.478 3.717 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@@]12CCC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803611 1022573113 /nfs/dbraw/zinc/57/31/13/1022573113.db2.gz UCMGBTMPPSKSBB-HSZRJFAPSA-N 2 1 392.478 3.717 20 0 GHADMP COc1cc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001140827039 1022641179 /nfs/dbraw/zinc/64/11/79/1022641179.db2.gz RLAYJGPGYPDNPU-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP COc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001140827039 1022641189 /nfs/dbraw/zinc/64/11/89/1022641189.db2.gz RLAYJGPGYPDNPU-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c(N)cccc1F)CC2 ZINC001140874276 1022762399 /nfs/dbraw/zinc/76/23/99/1022762399.db2.gz PKMPTFNVJBDWJD-LJQANCHMSA-N 2 1 383.511 3.663 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC001141039322 1023354644 /nfs/dbraw/zinc/35/46/44/1023354644.db2.gz VPMXWNBPVBGTMD-UHFFFAOYSA-N 2 1 393.531 3.729 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204870418 1033133228 /nfs/dbraw/zinc/13/32/28/1033133228.db2.gz SRKPLRWVRLKDCT-HXUWFJFHSA-N 2 1 384.593 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204870418 1033133246 /nfs/dbraw/zinc/13/32/46/1033133246.db2.gz SRKPLRWVRLKDCT-HXUWFJFHSA-N 2 1 384.593 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001204870418 1033133254 /nfs/dbraw/zinc/13/32/54/1033133254.db2.gz SRKPLRWVRLKDCT-HXUWFJFHSA-N 2 1 384.593 3.625 20 0 GHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001141229684 1024215842 /nfs/dbraw/zinc/21/58/42/1024215842.db2.gz VUFUJRLWKGNBLP-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001141229684 1024215858 /nfs/dbraw/zinc/21/58/58/1024215858.db2.gz VUFUJRLWKGNBLP-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001141229684 1024215868 /nfs/dbraw/zinc/21/58/68/1024215868.db2.gz VUFUJRLWKGNBLP-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001138491368 1024923864 /nfs/dbraw/zinc/92/38/64/1024923864.db2.gz LYWKNXDHZKAAOE-DZFGPLHGSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001138491368 1024923869 /nfs/dbraw/zinc/92/38/69/1024923869.db2.gz LYWKNXDHZKAAOE-DZFGPLHGSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001138491368 1024923873 /nfs/dbraw/zinc/92/38/73/1024923873.db2.gz LYWKNXDHZKAAOE-DZFGPLHGSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001138491368 1024923877 /nfs/dbraw/zinc/92/38/77/1024923877.db2.gz LYWKNXDHZKAAOE-DZFGPLHGSA-N 2 1 384.593 3.942 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)cc1 ZINC001138544292 1024988269 /nfs/dbraw/zinc/98/82/69/1024988269.db2.gz FVXRSOHCIBONSN-KRWDZBQOSA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H](C)C2)cc1 ZINC001138544292 1024988275 /nfs/dbraw/zinc/98/82/75/1024988275.db2.gz FVXRSOHCIBONSN-KRWDZBQOSA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC001138550601 1024999067 /nfs/dbraw/zinc/99/90/67/1024999067.db2.gz YZUIAWODTDEMSI-UHFFFAOYSA-N 2 1 392.478 3.714 20 0 GHADMP CCCn1ncc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001138635780 1025142080 /nfs/dbraw/zinc/14/20/80/1025142080.db2.gz KDQPLAYLWVVBTO-UHFFFAOYSA-N 2 1 381.568 3.873 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3nc(C)ccc3c1)C2 ZINC001141477191 1025174260 /nfs/dbraw/zinc/17/42/60/1025174260.db2.gz BSCJJPOLDMGOTD-VWNXMTODSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3nc(C)ccc3c1)C2 ZINC001141477191 1025174268 /nfs/dbraw/zinc/17/42/68/1025174268.db2.gz BSCJJPOLDMGOTD-VWNXMTODSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3nc(C)ccc3c1)C2 ZINC001141477191 1025174272 /nfs/dbraw/zinc/17/42/72/1025174272.db2.gz BSCJJPOLDMGOTD-VWNXMTODSA-N 2 1 379.548 3.724 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(C(F)(F)F)nn1)CC2 ZINC001141488668 1025222554 /nfs/dbraw/zinc/22/25/54/1025222554.db2.gz SNQLMZJXKOXNHV-GOSISDBHSA-N 2 1 394.441 3.965 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(Cc2ccc(OCCO)cc2)CC1 ZINC001138802570 1025390684 /nfs/dbraw/zinc/39/06/84/1025390684.db2.gz DLZXGODSXJKPFD-UHFFFAOYSA-N 2 1 388.939 3.808 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc(Cl)c1)CC2 ZINC001138817248 1025415352 /nfs/dbraw/zinc/41/53/52/1025415352.db2.gz NTUNMAYWCNLVDO-QGZVFWFLSA-N 2 1 375.900 3.584 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccnc(Cl)c4)CC3)C2)cc1 ZINC001138817771 1025416670 /nfs/dbraw/zinc/41/66/70/1025416670.db2.gz ANIONQOQBXYZDB-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1C ZINC001141564733 1025563137 /nfs/dbraw/zinc/56/31/37/1025563137.db2.gz KAHMUAWXOHBZII-NRFANRHFSA-N 2 1 396.579 3.693 20 0 GHADMP COc1cccc(CC2([NH3+])CCN(c3cc4cc(OC)ccc4c[nH+]3)CC2)c1 ZINC001162050620 1025565185 /nfs/dbraw/zinc/56/51/85/1025565185.db2.gz UXPZHRFEDGCMLL-UHFFFAOYSA-N 2 1 377.488 3.792 20 0 GHADMP C[C@H]([NH3+])c1nc2ccccc2n1-c1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001162758780 1025908196 /nfs/dbraw/zinc/90/81/96/1025908196.db2.gz MMNIFFVMAFNCEK-KRWDZBQOSA-N 2 1 383.499 3.999 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Br)nc2Cl)CC1 ZINC001139109644 1025916918 /nfs/dbraw/zinc/91/69/18/1025916918.db2.gz DSLCJASNRVZGFJ-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nn3)cc2)C1 ZINC001461045320 1069356527 /nfs/dbraw/zinc/35/65/27/1069356527.db2.gz SHGLGDJGEZREFM-FQEVSTJZSA-N 2 1 389.547 3.848 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nn3)cc2)C1 ZINC001461045320 1069356542 /nfs/dbraw/zinc/35/65/42/1069356542.db2.gz SHGLGDJGEZREFM-FQEVSTJZSA-N 2 1 389.547 3.848 20 0 GHADMP c1cc2nc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ncc2s1 ZINC001162930228 1025970947 /nfs/dbraw/zinc/97/09/47/1025970947.db2.gz WRPGGFBQBZRNPL-GOSISDBHSA-N 2 1 393.560 3.605 20 0 GHADMP Cc1cnc(Cl)cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162935267 1025972212 /nfs/dbraw/zinc/97/22/12/1025972212.db2.gz QGUPRBOOWZVUPT-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP Cc1ncc(Cl)cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940817 1025977702 /nfs/dbraw/zinc/97/77/02/1025977702.db2.gz NBQZPOGMGFKHOD-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP Fc1cc(Br)cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001139172666 1025997964 /nfs/dbraw/zinc/99/79/64/1025997964.db2.gz WZRIGEMTVDVIKE-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP Fc1ccc(-c2cc3cc[nH+]c(NC[C@H]4CO[C@@]5(C4)CCC[NH2+]C5)c3[nH]2)cc1 ZINC001163278913 1026120843 /nfs/dbraw/zinc/12/08/43/1026120843.db2.gz LHEXHBJBUUAWEM-OYHNWAKOSA-N 2 1 380.467 3.940 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(NC3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC001163303148 1026133129 /nfs/dbraw/zinc/13/31/29/1026133129.db2.gz IIRYVMNIQPWTOE-UHFFFAOYSA-N 2 1 383.540 3.654 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@H]3CC[N@@H+](C(C)C)C[C@@H]3C)n2)cc1 ZINC001163371442 1026165481 /nfs/dbraw/zinc/16/54/81/1026165481.db2.gz QIVCEYSPUKYKSU-PXNSSMCTSA-N 2 1 383.540 3.652 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@H]3CC[N@H+](C(C)C)C[C@@H]3C)n2)cc1 ZINC001163371442 1026165489 /nfs/dbraw/zinc/16/54/89/1026165489.db2.gz QIVCEYSPUKYKSU-PXNSSMCTSA-N 2 1 383.540 3.652 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@@H]21 ZINC001139332193 1026192727 /nfs/dbraw/zinc/19/27/27/1026192727.db2.gz JEDKTFXBZSEJII-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]21 ZINC001139332193 1026192732 /nfs/dbraw/zinc/19/27/32/1026192732.db2.gz JEDKTFXBZSEJII-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]21 ZINC001139332193 1026192742 /nfs/dbraw/zinc/19/27/42/1026192742.db2.gz JEDKTFXBZSEJII-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139539107 1026400018 /nfs/dbraw/zinc/40/00/18/1026400018.db2.gz AHIXBQQSQGYUQH-KRWDZBQOSA-N 2 1 396.457 3.657 20 0 GHADMP C[C@@]1(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001164394761 1026505992 /nfs/dbraw/zinc/50/59/92/1026505992.db2.gz UMELNEUFJNBFDL-XMMPIXPASA-N 2 1 386.499 3.642 20 0 GHADMP C[C@@H]1CC[C@H](C[NH3+])CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164474906 1026521105 /nfs/dbraw/zinc/52/11/05/1026521105.db2.gz WUUKEWGTCDXQEG-HZPDHXFCSA-N 2 1 399.608 3.730 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)CC1 ZINC001164480461 1026523400 /nfs/dbraw/zinc/52/34/00/1026523400.db2.gz RQHJKUUYAJSNLJ-PCCBWWKXSA-N 2 1 385.596 3.864 20 0 GHADMP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001164483446 1026524224 /nfs/dbraw/zinc/52/42/24/1026524224.db2.gz BJINEWDASNNUMU-GXRSIYKFSA-N 2 1 391.563 3.575 20 0 GHADMP c1c(C[N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)nc2cnccn12 ZINC001139699649 1026546129 /nfs/dbraw/zinc/54/61/29/1026546129.db2.gz IGKLPHDOBZXYGP-UHFFFAOYSA-N 2 1 375.520 3.608 20 0 GHADMP c1c(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)nc2cnccn12 ZINC001139699649 1026546134 /nfs/dbraw/zinc/54/61/34/1026546134.db2.gz IGKLPHDOBZXYGP-UHFFFAOYSA-N 2 1 375.520 3.608 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001165213310 1026669506 /nfs/dbraw/zinc/66/95/06/1026669506.db2.gz GOGYGMCWNYTZCV-JOCHJYFZSA-N 2 1 381.520 3.849 20 0 GHADMP CSc1nccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)n1 ZINC001140033748 1026822537 /nfs/dbraw/zinc/82/25/37/1026822537.db2.gz PUOHLIYWIHBEMD-ZYSHUDEJSA-N 2 1 388.606 3.993 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC001461154446 1069415696 /nfs/dbraw/zinc/41/56/96/1069415696.db2.gz YMNJVDILHREXNB-ZODMCCGTSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001461154446 1069415699 /nfs/dbraw/zinc/41/56/99/1069415699.db2.gz YMNJVDILHREXNB-ZODMCCGTSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001461154446 1069415701 /nfs/dbraw/zinc/41/57/01/1069415701.db2.gz YMNJVDILHREXNB-ZODMCCGTSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001461154446 1069415705 /nfs/dbraw/zinc/41/57/05/1069415705.db2.gz YMNJVDILHREXNB-ZODMCCGTSA-N 2 1 377.576 3.661 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001461154446 1069415709 /nfs/dbraw/zinc/41/57/09/1069415709.db2.gz YMNJVDILHREXNB-ZODMCCGTSA-N 2 1 377.576 3.661 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC001140217520 1026994456 /nfs/dbraw/zinc/99/44/56/1026994456.db2.gz NSNAZVORRQALTG-WIYYLYMNSA-N 2 1 391.987 3.899 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140217558 1026994652 /nfs/dbraw/zinc/99/46/52/1026994652.db2.gz ONMWXQQJLPJHHX-UNMCSNQZSA-N 2 1 399.966 3.766 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc2c1OCO2 ZINC001209714921 1027111031 /nfs/dbraw/zinc/11/10/31/1027111031.db2.gz NDPARUBXNUWBMI-UHFFFAOYSA-N 2 1 384.476 3.505 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)C3(CCC3)[C@H]2c2cccnc2)CC1 ZINC000840044703 1027111054 /nfs/dbraw/zinc/11/10/54/1027111054.db2.gz RGRMQSPUDLYONV-JOCHJYFZSA-N 2 1 398.595 3.927 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+](Cc2ccccc2)Cc2c[nH+]ccc2N)CC1 ZINC001209732929 1027126156 /nfs/dbraw/zinc/12/61/56/1027126156.db2.gz NYZPNUIVUWLSAU-UHFFFAOYSA-N 2 1 396.535 3.896 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccc2)Cc2c[nH+]ccc2N)CC1 ZINC001209732929 1027126169 /nfs/dbraw/zinc/12/61/69/1027126169.db2.gz NYZPNUIVUWLSAU-UHFFFAOYSA-N 2 1 396.535 3.896 20 0 GHADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4c[nH]nc4-c4ccccc4)CC3)C2)co1 ZINC001209761533 1027159805 /nfs/dbraw/zinc/15/98/05/1027159805.db2.gz WDXVESUCXDCWTA-UHFFFAOYSA-N 2 1 392.503 3.537 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1OC ZINC001203446818 1027345043 /nfs/dbraw/zinc/34/50/43/1027345043.db2.gz SWWVBPKIUKMNAY-UHFFFAOYSA-N 2 1 395.547 3.975 20 0 GHADMP CC(C)(C)n1nc(-c2ccccc2)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262558 1027411390 /nfs/dbraw/zinc/41/13/90/1027411390.db2.gz GJRILPUDUUCLKV-UHFFFAOYSA-N 2 1 376.508 3.853 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(F)c1 ZINC001210267476 1027415830 /nfs/dbraw/zinc/41/58/30/1027415830.db2.gz DVCRROMAOAIXPG-UHFFFAOYSA-N 2 1 387.459 3.721 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c(C)c1 ZINC001203732217 1027559099 /nfs/dbraw/zinc/55/90/99/1027559099.db2.gz QRKPBQQZVSLNSV-WXFUMESZSA-N 2 1 386.580 3.784 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(C)c1 ZINC001203733111 1027560619 /nfs/dbraw/zinc/56/06/19/1027560619.db2.gz ZDQXCTQEAKGOOF-HSZRJFAPSA-N 2 1 379.548 3.954 20 0 GHADMP Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1OCCC[N@@H+](C)C1CCCC1 ZINC001461261175 1069466948 /nfs/dbraw/zinc/46/69/48/1069466948.db2.gz FLMXRNYLFDFZQI-UHFFFAOYSA-N 2 1 384.568 3.970 20 0 GHADMP C[N@@H+](CCCOc1ccccc1C[NH2+]Cc1cnc2n1CCC2)C1CCCC1 ZINC001461265911 1069468941 /nfs/dbraw/zinc/46/89/41/1069468941.db2.gz QUHJUSQNTCOUJS-UHFFFAOYSA-N 2 1 382.552 3.762 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1C ZINC001203894926 1027687824 /nfs/dbraw/zinc/68/78/24/1027687824.db2.gz ZJPHCRWJVWRBRF-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP c1ccc2cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)ccc2c1 ZINC001204000052 1027797273 /nfs/dbraw/zinc/79/72/73/1027797273.db2.gz JRSZTKZREUYXDW-JWQCQUIFSA-N 2 1 387.527 3.958 20 0 GHADMP c1ccc2cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)ccc2c1 ZINC001204000052 1027797284 /nfs/dbraw/zinc/79/72/84/1027797284.db2.gz JRSZTKZREUYXDW-JWQCQUIFSA-N 2 1 387.527 3.958 20 0 GHADMP c1ccc2cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)ccc2c1 ZINC001204000052 1027797297 /nfs/dbraw/zinc/79/72/97/1027797297.db2.gz JRSZTKZREUYXDW-JWQCQUIFSA-N 2 1 387.527 3.958 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC001204045472 1027835072 /nfs/dbraw/zinc/83/50/72/1027835072.db2.gz QTMMJJFMYDNDQW-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP CCN(C(=O)Nc1cccc(OCC[NH3+])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000841284100 1028368094 /nfs/dbraw/zinc/36/80/94/1028368094.db2.gz COBUFPSONJOOKC-NQIIRXRSSA-N 2 1 396.535 3.713 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000842479705 1029315332 /nfs/dbraw/zinc/31/53/32/1029315332.db2.gz WQAYSVGLYYQVIC-ISKFKSNPSA-N 2 1 393.531 3.510 20 0 GHADMP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699774 1029509737 /nfs/dbraw/zinc/50/97/37/1029509737.db2.gz PZLZHDNCWAKFIF-JBACZVJFSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699774 1029509749 /nfs/dbraw/zinc/50/97/49/1029509749.db2.gz PZLZHDNCWAKFIF-JBACZVJFSA-N 2 1 385.552 3.640 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000842924630 1029689326 /nfs/dbraw/zinc/68/93/26/1029689326.db2.gz QZMVLODXUIYFSZ-PBASOCQRSA-N 2 1 387.568 3.709 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843059714 1029790273 /nfs/dbraw/zinc/79/02/73/1029790273.db2.gz QTTCJTPXWPKYIV-ZYSHUDEJSA-N 2 1 376.907 3.592 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843059714 1029790280 /nfs/dbraw/zinc/79/02/80/1029790280.db2.gz QTTCJTPXWPKYIV-ZYSHUDEJSA-N 2 1 376.907 3.592 20 0 GHADMP c1[nH]nc2cccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)c12 ZINC001143089905 1029837866 /nfs/dbraw/zinc/83/78/66/1029837866.db2.gz BHKDLKCGZSCXJT-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)c12 ZINC001143089905 1029837870 /nfs/dbraw/zinc/83/78/70/1029837870.db2.gz BHKDLKCGZSCXJT-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)c12 ZINC001143089905 1029837875 /nfs/dbraw/zinc/83/78/75/1029837875.db2.gz BHKDLKCGZSCXJT-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(F)c2ccccc12 ZINC001143145959 1029868209 /nfs/dbraw/zinc/86/82/09/1029868209.db2.gz RTMXUXKWDLQQSW-FQEVSTJZSA-N 2 1 399.554 3.786 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4cccnc4[nH]3)C[C@@H]21 ZINC001143220162 1029924604 /nfs/dbraw/zinc/92/46/04/1029924604.db2.gz HCZXKVDPFBBBBV-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4cccnc4[nH]3)C[C@@H]21 ZINC001143220162 1029924610 /nfs/dbraw/zinc/92/46/10/1029924610.db2.gz HCZXKVDPFBBBBV-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4cccnc4[nH]3)C[C@@H]21 ZINC001143220162 1029924619 /nfs/dbraw/zinc/92/46/19/1029924619.db2.gz HCZXKVDPFBBBBV-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4cccnc4[nH]3)C[C@@H]21 ZINC001143220162 1029924627 /nfs/dbraw/zinc/92/46/27/1029924627.db2.gz HCZXKVDPFBBBBV-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP COc1cc2c(cc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)oc1ccccc12 ZINC000843348691 1029929456 /nfs/dbraw/zinc/92/94/56/1029929456.db2.gz MKZOHTANYQRLCY-AWEZNQCLSA-N 2 1 381.476 3.592 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000843358239 1029937149 /nfs/dbraw/zinc/93/71/49/1029937149.db2.gz IDAWUOTWFQXOJV-UFYCRDLUSA-N 2 1 378.438 3.773 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000843358239 1029937153 /nfs/dbraw/zinc/93/71/53/1029937153.db2.gz IDAWUOTWFQXOJV-UFYCRDLUSA-N 2 1 378.438 3.773 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364019 1029941120 /nfs/dbraw/zinc/94/11/20/1029941120.db2.gz KQHFXQUIMRGKPS-ZIAGYGMSSA-N 2 1 384.351 3.635 20 0 GHADMP CCOc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(F)c1F ZINC001143269981 1029967365 /nfs/dbraw/zinc/96/73/65/1029967365.db2.gz UGQGXZJEEBFYTH-UHFFFAOYSA-N 2 1 382.495 3.688 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001222116046 1029969736 /nfs/dbraw/zinc/96/97/36/1029969736.db2.gz YENHRUBAAJLEQX-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001222116046 1029969744 /nfs/dbraw/zinc/96/97/44/1029969744.db2.gz YENHRUBAAJLEQX-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001222116046 1029969751 /nfs/dbraw/zinc/96/97/51/1029969751.db2.gz YENHRUBAAJLEQX-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001222115660 1029970127 /nfs/dbraw/zinc/97/01/27/1029970127.db2.gz RYBHWEVMUCKNBH-NRFANRHFSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001222115660 1029970135 /nfs/dbraw/zinc/97/01/35/1029970135.db2.gz RYBHWEVMUCKNBH-NRFANRHFSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001222115660 1029970142 /nfs/dbraw/zinc/97/01/42/1029970142.db2.gz RYBHWEVMUCKNBH-NRFANRHFSA-N 2 1 386.584 3.605 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(=O)c1cccs1 ZINC001222142075 1029976502 /nfs/dbraw/zinc/97/65/02/1029976502.db2.gz VYILEXXTYPCRPQ-NRFANRHFSA-N 2 1 386.517 3.551 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC(=O)c1cccs1 ZINC001222142075 1029976511 /nfs/dbraw/zinc/97/65/11/1029976511.db2.gz VYILEXXTYPCRPQ-NRFANRHFSA-N 2 1 386.517 3.551 20 0 GHADMP COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cn2)c1 ZINC001222168181 1029985979 /nfs/dbraw/zinc/98/59/79/1029985979.db2.gz WQJJUVLIFSMOJS-QHCPKHFHSA-N 2 1 380.536 3.898 20 0 GHADMP COc1cccc(-c2ncc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cn2)c1 ZINC001222168181 1029985982 /nfs/dbraw/zinc/98/59/82/1029985982.db2.gz WQJJUVLIFSMOJS-QHCPKHFHSA-N 2 1 380.536 3.898 20 0 GHADMP COc1ccc(-c2c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cnn2C)cc1 ZINC001222168291 1029986035 /nfs/dbraw/zinc/98/60/35/1029986035.db2.gz ZQGFFEJONCYXPS-QHCPKHFHSA-N 2 1 382.552 3.842 20 0 GHADMP Nc1ccc(F)cc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591006 1030218403 /nfs/dbraw/zinc/21/84/03/1030218403.db2.gz QLQITEPFSROZID-OAQYLSRUSA-N 2 1 383.511 3.711 20 0 GHADMP Nc1ccc(F)cc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591006 1030218418 /nfs/dbraw/zinc/21/84/18/1030218418.db2.gz QLQITEPFSROZID-OAQYLSRUSA-N 2 1 383.511 3.711 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCCC1 ZINC001223075542 1030425436 /nfs/dbraw/zinc/42/54/36/1030425436.db2.gz LVAXFUJBVBDWFJ-FGZHOGPDSA-N 2 1 392.632 3.983 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001223089490 1030434642 /nfs/dbraw/zinc/43/46/42/1030434642.db2.gz RELNPJMLLLTOLK-IRLDBZIGSA-N 2 1 388.600 3.659 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001223089490 1030434647 /nfs/dbraw/zinc/43/46/47/1030434647.db2.gz RELNPJMLLLTOLK-IRLDBZIGSA-N 2 1 388.600 3.659 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001223507489 1030609994 /nfs/dbraw/zinc/60/99/94/1030609994.db2.gz DRDJRKYHYNZJFW-MJGOQNOKSA-N 2 1 390.597 3.591 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001217967009 1030694284 /nfs/dbraw/zinc/69/42/84/1030694284.db2.gz KHQYQFWCUILBMM-NLFFAJNJSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001217967009 1030694294 /nfs/dbraw/zinc/69/42/94/1030694294.db2.gz KHQYQFWCUILBMM-NLFFAJNJSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001217967009 1030694301 /nfs/dbraw/zinc/69/43/01/1030694301.db2.gz KHQYQFWCUILBMM-NLFFAJNJSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001217993367 1030710781 /nfs/dbraw/zinc/71/07/81/1030710781.db2.gz WCNBWISMZHSGPT-VMRPVKRXSA-N 2 1 378.516 3.911 20 0 GHADMP C[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001223748408 1030736568 /nfs/dbraw/zinc/73/65/68/1030736568.db2.gz MHVINAVCMUSRPK-CEXWTWQISA-N 2 1 391.519 3.527 20 0 GHADMP C[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001223748408 1030736580 /nfs/dbraw/zinc/73/65/80/1030736580.db2.gz MHVINAVCMUSRPK-CEXWTWQISA-N 2 1 391.519 3.527 20 0 GHADMP C[NH+](C)CC[C@@H](Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001218303709 1030881163 /nfs/dbraw/zinc/88/11/63/1030881163.db2.gz CLABUHCYJIQYAG-FCHUYYIVSA-N 2 1 398.547 3.970 20 0 GHADMP C[N@H+]1CCc2cc(Cl)c(O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)cc2[C@@H](c2ccccc2)C1 ZINC001218329798 1030897085 /nfs/dbraw/zinc/89/70/85/1030897085.db2.gz GHYFFBKNFJDVHU-RJJVWVDVSA-N 2 1 382.935 3.947 20 0 GHADMP [NH3+]C1CCN(Cc2ccccc2O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001218410929 1030927466 /nfs/dbraw/zinc/92/74/66/1030927466.db2.gz QJAYMZJYILZXII-QFIPXVFZSA-N 2 1 399.966 3.916 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001224563300 1031048681 /nfs/dbraw/zinc/04/86/81/1031048681.db2.gz KOJJZRRJZBLDHQ-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](COC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224825661 1031138984 /nfs/dbraw/zinc/13/89/84/1031138984.db2.gz LMFBZIHAYOUDJO-LOSJGSFVSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](COC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224825661 1031138996 /nfs/dbraw/zinc/13/89/96/1031138996.db2.gz LMFBZIHAYOUDJO-LOSJGSFVSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCO[C@@H](COC[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224825661 1031139004 /nfs/dbraw/zinc/13/90/04/1031139004.db2.gz LMFBZIHAYOUDJO-LOSJGSFVSA-N 2 1 394.559 3.816 20 0 GHADMP c1ccc(C[NH+]2CCO[C@@H](COC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224825661 1031139008 /nfs/dbraw/zinc/13/90/08/1031139008.db2.gz LMFBZIHAYOUDJO-LOSJGSFVSA-N 2 1 394.559 3.816 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]([NH3+])COC(C)(C)C)C1CCCCC1 ZINC001219023845 1031219019 /nfs/dbraw/zinc/21/90/19/1031219019.db2.gz LCBFRVROAJNSBO-GOSISDBHSA-N 2 1 375.557 3.922 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cccc2[C@@H](c2ccccc2)C1 ZINC001219047406 1031229857 /nfs/dbraw/zinc/22/98/57/1031229857.db2.gz XMKLGSMIUBQZDV-RDGATRHJSA-N 2 1 397.522 3.917 20 0 GHADMP C[C@H]1C[NH2+]C[C@H](CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001219645767 1031537041 /nfs/dbraw/zinc/53/70/41/1031537041.db2.gz MZZUUTDJBQNTET-GDBMZVCRSA-N 2 1 398.378 3.567 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[NH+]1CCc2ccccc2C1 ZINC001225791659 1031607538 /nfs/dbraw/zinc/60/75/38/1031607538.db2.gz KVRDYKRCYOFTIN-CVDCTZTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001225791659 1031607551 /nfs/dbraw/zinc/60/75/51/1031607551.db2.gz KVRDYKRCYOFTIN-CVDCTZTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001225791659 1031607563 /nfs/dbraw/zinc/60/75/63/1031607563.db2.gz KVRDYKRCYOFTIN-CVDCTZTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC001220061895 1031761109 /nfs/dbraw/zinc/76/11/09/1031761109.db2.gz GKDBLMDFLNJLNO-XXBNENTESA-N 2 1 379.548 3.527 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)CC1 ZINC001220498978 1031966144 /nfs/dbraw/zinc/96/61/44/1031966144.db2.gz NNMPXWCVLFCVBQ-SLFFLAALSA-N 2 1 386.584 3.552 20 0 GHADMP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001461836668 1069781753 /nfs/dbraw/zinc/78/17/53/1069781753.db2.gz AOHPYKDPYNUHPR-LADGPHEKSA-N 2 1 385.596 3.773 20 0 GHADMP CC(=O)NC[C@@H]1CCC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001461836668 1069781763 /nfs/dbraw/zinc/78/17/63/1069781763.db2.gz AOHPYKDPYNUHPR-LADGPHEKSA-N 2 1 385.596 3.773 20 0 GHADMP CC(=O)NC[C@@H]1CCC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001461836668 1069781776 /nfs/dbraw/zinc/78/17/76/1069781776.db2.gz AOHPYKDPYNUHPR-LADGPHEKSA-N 2 1 385.596 3.773 20 0 GHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001205405256 1033396232 /nfs/dbraw/zinc/39/62/32/1033396232.db2.gz GIEMSYQQKDWHHW-QFBILLFUSA-N 2 1 383.374 3.861 20 0 GHADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001205405256 1033396245 /nfs/dbraw/zinc/39/62/45/1033396245.db2.gz GIEMSYQQKDWHHW-QFBILLFUSA-N 2 1 383.374 3.861 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2c(Br)cccc2OC(F)F)CC[C@H]1C[NH3+] ZINC001205651385 1033512128 /nfs/dbraw/zinc/51/21/28/1033512128.db2.gz DLUDGPRKBBHXHY-NEPJUHHUSA-N 2 1 377.273 3.857 20 0 GHADMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)C1 ZINC001205725847 1033547643 /nfs/dbraw/zinc/54/76/43/1033547643.db2.gz MCEZPQOSRCSSBP-FQEVSTJZSA-N 2 1 394.437 3.928 20 0 GHADMP COc1ccc([C@@H](C[NH+](C)C)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC001205750989 1033558177 /nfs/dbraw/zinc/55/81/77/1033558177.db2.gz VMTSAOQBOBPHNE-ALJFMCDRSA-N 2 1 393.575 3.941 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205789078 1033573106 /nfs/dbraw/zinc/57/31/06/1033573106.db2.gz VLLYDNFWHXHICR-KRWDZBQOSA-N 2 1 375.463 3.879 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cc1 ZINC001205789078 1033573114 /nfs/dbraw/zinc/57/31/14/1033573114.db2.gz VLLYDNFWHXHICR-KRWDZBQOSA-N 2 1 375.463 3.879 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205796658 1033578884 /nfs/dbraw/zinc/57/88/84/1033578884.db2.gz SMAPJXCYHCTKFO-HXUWFJFHSA-N 2 1 388.458 3.946 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205796658 1033578894 /nfs/dbraw/zinc/57/88/94/1033578894.db2.gz SMAPJXCYHCTKFO-HXUWFJFHSA-N 2 1 388.458 3.946 20 0 GHADMP C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2N2CC[NH2+]CC2)CC1 ZINC001205852149 1033608048 /nfs/dbraw/zinc/60/80/48/1033608048.db2.gz FUVOGNSRMLAWLK-GOSISDBHSA-N 2 1 384.337 3.573 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1-c1ccccc1)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001205860435 1033610220 /nfs/dbraw/zinc/61/02/20/1033610220.db2.gz VJZXURSBIGMOQM-FQEVSTJZSA-N 2 1 397.482 3.687 20 0 GHADMP C[N@H+](CC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC001157483869 1033614981 /nfs/dbraw/zinc/61/49/81/1033614981.db2.gz DHANVAFLEIYLFS-UHFFFAOYSA-N 2 1 391.559 3.732 20 0 GHADMP C[N@@H+](CC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC001157483869 1033614990 /nfs/dbraw/zinc/61/49/90/1033614990.db2.gz DHANVAFLEIYLFS-UHFFFAOYSA-N 2 1 391.559 3.732 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CCC[C@@H]1C[NH3+] ZINC001206022741 1033690804 /nfs/dbraw/zinc/69/08/04/1033690804.db2.gz CNSCJOWLAFSPTP-WDEREUQCSA-N 2 1 380.252 3.670 20 0 GHADMP Cc1nc2c(c(OC3CC[NH+](C(C)C)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229845729 1033749293 /nfs/dbraw/zinc/74/92/93/1033749293.db2.gz IEUSAHWVSGHWFW-UHFFFAOYSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(OC3CC[NH+](C(C)C)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229845729 1033749306 /nfs/dbraw/zinc/74/93/06/1033749306.db2.gz IEUSAHWVSGHWFW-UHFFFAOYSA-N 2 1 380.536 3.595 20 0 GHADMP COc1ccc(CN(c2[nH+]cnc3c2ccn3C(C)C)C2CC[NH2+]CC2)cc1F ZINC001158007106 1033864043 /nfs/dbraw/zinc/86/40/43/1033864043.db2.gz JCDWJTCAXWMWOE-UHFFFAOYSA-N 2 1 397.498 3.919 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001206537784 1033898767 /nfs/dbraw/zinc/89/87/67/1033898767.db2.gz NZUYTPKBODBYDK-RBUKOAKNSA-N 2 1 385.552 3.551 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)c1 ZINC001230199865 1033941812 /nfs/dbraw/zinc/94/18/12/1033941812.db2.gz DXQKYTTYWCBZIX-PGRDOPGGSA-N 2 1 386.584 3.591 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC001230199865 1033941815 /nfs/dbraw/zinc/94/18/15/1033941815.db2.gz DXQKYTTYWCBZIX-PGRDOPGGSA-N 2 1 386.584 3.591 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC001230199865 1033941819 /nfs/dbraw/zinc/94/18/19/1033941819.db2.gz DXQKYTTYWCBZIX-PGRDOPGGSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207092303 1034087344 /nfs/dbraw/zinc/08/73/44/1034087344.db2.gz DHSUYSNPFDYGNJ-DENIHFKCSA-N 2 1 380.532 3.906 20 0 GHADMP Fc1cccc(OC(F)F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001207111705 1034097568 /nfs/dbraw/zinc/09/75/68/1034097568.db2.gz MVFUNKNLVAFGLT-UHFFFAOYSA-N 2 1 386.458 3.752 20 0 GHADMP CC[C@@H]1[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001207291659 1034244134 /nfs/dbraw/zinc/24/41/34/1034244134.db2.gz VQOUUDIOMTVENE-UPVQGACJSA-N 2 1 383.580 3.764 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC001207356441 1034300439 /nfs/dbraw/zinc/30/04/39/1034300439.db2.gz JRDQFPVUGYBDOA-FCHUYYIVSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1cccc(Cl)c1)C2 ZINC001207588745 1034467496 /nfs/dbraw/zinc/46/74/96/1034467496.db2.gz VMLCDKKDHZAIOE-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCc1cccc(Cl)c1)C2 ZINC001207588745 1034467505 /nfs/dbraw/zinc/46/75/05/1034467505.db2.gz VMLCDKKDHZAIOE-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001207588745 1034467513 /nfs/dbraw/zinc/46/75/13/1034467513.db2.gz VMLCDKKDHZAIOE-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)c1 ZINC001207624278 1034494784 /nfs/dbraw/zinc/49/47/84/1034494784.db2.gz ATCABXRBGSROEA-NNWRFLSQSA-N 2 1 382.548 3.574 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)c1 ZINC001207624278 1034494791 /nfs/dbraw/zinc/49/47/91/1034494791.db2.gz ATCABXRBGSROEA-NNWRFLSQSA-N 2 1 382.548 3.574 20 0 GHADMP C[N@H+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207778480 1034572027 /nfs/dbraw/zinc/57/20/27/1034572027.db2.gz CFXNMTLTBZHWEL-DKUWSORSSA-N 2 1 399.579 3.696 20 0 GHADMP C[N@@H+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC[NH+](Cc2ccccc2)CC1 ZINC001207778480 1034572032 /nfs/dbraw/zinc/57/20/32/1034572032.db2.gz CFXNMTLTBZHWEL-DKUWSORSSA-N 2 1 399.579 3.696 20 0 GHADMP [NH3+]Cc1cncc(Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC001159478182 1034612543 /nfs/dbraw/zinc/61/25/43/1034612543.db2.gz HFNUVVLWVCBOIM-UHFFFAOYSA-N 2 1 387.531 3.602 20 0 GHADMP CC(C)c1ccc(C[C@@H](C)C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)cc1 ZINC001207939754 1034670062 /nfs/dbraw/zinc/67/00/62/1034670062.db2.gz JVWUFOYYQRXYAE-JFTIXFDTSA-N 2 1 395.595 3.675 20 0 GHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)cc1 ZINC001207939754 1034670072 /nfs/dbraw/zinc/67/00/72/1034670072.db2.gz JVWUFOYYQRXYAE-JFTIXFDTSA-N 2 1 395.595 3.675 20 0 GHADMP CC(C)c1ccc(C[C@@H](C)C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)cc1 ZINC001207939754 1034670076 /nfs/dbraw/zinc/67/00/76/1034670076.db2.gz JVWUFOYYQRXYAE-JFTIXFDTSA-N 2 1 395.595 3.675 20 0 GHADMP CC(C)c1ccc(C[C@@H](C)C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)cc1 ZINC001207939754 1034670081 /nfs/dbraw/zinc/67/00/81/1034670081.db2.gz JVWUFOYYQRXYAE-JFTIXFDTSA-N 2 1 395.595 3.675 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1OC(=O)C(C)C ZINC001231528329 1034681784 /nfs/dbraw/zinc/68/17/84/1034681784.db2.gz VSSDIMNSSJQDEF-UHFFFAOYSA-N 2 1 397.519 3.699 20 0 GHADMP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(=O)C(C)C)c(OC)c2)CC1 ZINC001231534692 1034688890 /nfs/dbraw/zinc/68/88/90/1034688890.db2.gz NDQZMYDVQIQCBQ-UHFFFAOYSA-N 2 1 376.541 3.953 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(=O)C(C)C)c(OC)c2)CC1 ZINC001231534692 1034688895 /nfs/dbraw/zinc/68/88/95/1034688895.db2.gz NDQZMYDVQIQCBQ-UHFFFAOYSA-N 2 1 376.541 3.953 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CCCC3CCCC3)O2)CC1 ZINC001208088471 1034729948 /nfs/dbraw/zinc/72/99/48/1034729948.db2.gz GWWUMLZSXXYPCQ-DNVJHFABSA-N 2 1 378.601 3.937 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108854 1034738616 /nfs/dbraw/zinc/73/86/16/1034738616.db2.gz GOFDKGKFFVWNSU-LJQANCHMSA-N 2 1 391.625 3.535 20 0 GHADMP CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108854 1034738626 /nfs/dbraw/zinc/73/86/26/1034738626.db2.gz GOFDKGKFFVWNSU-LJQANCHMSA-N 2 1 391.625 3.535 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208108090 1034739379 /nfs/dbraw/zinc/73/93/79/1034739379.db2.gz PYDZKZKAXPBGAX-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]23CCCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001208108269 1034739478 /nfs/dbraw/zinc/73/94/78/1034739478.db2.gz RPXWVJGBSVWMKT-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001208112800 1034740927 /nfs/dbraw/zinc/74/09/27/1034740927.db2.gz ZBOYTCFYPKEQIF-SFHVURJKSA-N 2 1 379.589 3.830 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC[C@@H](C)SC)CC2 ZINC001208139616 1034752843 /nfs/dbraw/zinc/75/28/43/1034752843.db2.gz AQIAWPWKZXCDLP-SJORKVTESA-N 2 1 383.627 3.588 20 0 GHADMP COc1cc(F)ccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231600923 1034755693 /nfs/dbraw/zinc/75/56/93/1034755693.db2.gz DUQDDJAQHKSWFB-LJQANCHMSA-N 2 1 388.483 3.683 20 0 GHADMP COCCCOc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccc1OC ZINC001231611692 1034766944 /nfs/dbraw/zinc/76/69/44/1034766944.db2.gz HCPHTTGQZDUEMR-NRFANRHFSA-N 2 1 390.568 3.951 20 0 GHADMP COCCCOc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccc1OC ZINC001231611692 1034766956 /nfs/dbraw/zinc/76/69/56/1034766956.db2.gz HCPHTTGQZDUEMR-NRFANRHFSA-N 2 1 390.568 3.951 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001231641155 1034798164 /nfs/dbraw/zinc/79/81/64/1034798164.db2.gz RXULSXDQBHYVAW-QHCPKHFHSA-N 2 1 379.548 3.900 20 0 GHADMP c1csc(CN2C[C@@H]3C[N@H+](CC4(c5ccccc5)CCOCC4)C[C@@H]3C2)c1 ZINC001208223333 1034811947 /nfs/dbraw/zinc/81/19/47/1034811947.db2.gz PNHYXKNPNIGHJU-BGYRXZFFSA-N 2 1 382.573 3.860 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](CC4(c5ccccc5)CCOCC4)C[C@H]3C2)c1 ZINC001208223333 1034811954 /nfs/dbraw/zinc/81/19/54/1034811954.db2.gz PNHYXKNPNIGHJU-BGYRXZFFSA-N 2 1 382.573 3.860 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](CC4(c5ccccc5)CCOCC4)C[C@H]3C2)c1 ZINC001208223333 1034811957 /nfs/dbraw/zinc/81/19/57/1034811957.db2.gz PNHYXKNPNIGHJU-BGYRXZFFSA-N 2 1 382.573 3.860 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](CC4(c5ccccc5)CCOCC4)C[C@H]3C2)c1 ZINC001208223333 1034811964 /nfs/dbraw/zinc/81/19/64/1034811964.db2.gz PNHYXKNPNIGHJU-BGYRXZFFSA-N 2 1 382.573 3.860 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](CC4(c5ccccc5)CCOCC4)C[C@H]3C2)c1 ZINC001208223333 1034811972 /nfs/dbraw/zinc/81/19/72/1034811972.db2.gz PNHYXKNPNIGHJU-BGYRXZFFSA-N 2 1 382.573 3.860 20 0 GHADMP Fc1cccc(Nc2cccc(CC[NH+]3CCOCC3)c2)c1OC1CC[NH2+]CC1 ZINC001160173261 1034888899 /nfs/dbraw/zinc/88/88/99/1034888899.db2.gz KCLUMZRKWLFTAV-UHFFFAOYSA-N 2 1 399.510 3.575 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccccc3OCC3CC[NH2+]CC3)cc2)CC1 ZINC001160188147 1034894613 /nfs/dbraw/zinc/89/46/13/1034894613.db2.gz MWVDZIFJGIFFIT-UHFFFAOYSA-N 2 1 394.563 3.556 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccccc3OCC3CC[NH2+]CC3)c2)CC1 ZINC001160188472 1034895303 /nfs/dbraw/zinc/89/53/03/1034895303.db2.gz XNUYMLHKYBGRPV-UHFFFAOYSA-N 2 1 394.563 3.556 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001208632001 1034961605 /nfs/dbraw/zinc/96/16/05/1034961605.db2.gz HZKBJFSQQGWALK-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208632001 1034961608 /nfs/dbraw/zinc/96/16/08/1034961608.db2.gz HZKBJFSQQGWALK-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208632001 1034961611 /nfs/dbraw/zinc/96/16/11/1034961611.db2.gz HZKBJFSQQGWALK-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](CCC2CCCC2)CC1 ZINC001208692808 1034981905 /nfs/dbraw/zinc/98/19/05/1034981905.db2.gz BFHXYHKJKCVWBA-UHFFFAOYSA-N 2 1 383.580 3.817 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231908145 1034983284 /nfs/dbraw/zinc/98/32/84/1034983284.db2.gz YVGQZNHOJGSMBI-IBGZPJMESA-N 2 1 396.560 3.880 20 0 GHADMP CC/C=C\CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001208726889 1034991227 /nfs/dbraw/zinc/99/12/27/1034991227.db2.gz DQIQSZUKZHIOJR-AXHUIFFRSA-N 2 1 383.580 3.988 20 0 GHADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001208726889 1034991230 /nfs/dbraw/zinc/99/12/30/1034991230.db2.gz DQIQSZUKZHIOJR-AXHUIFFRSA-N 2 1 383.580 3.988 20 0 GHADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001208726889 1034991234 /nfs/dbraw/zinc/99/12/34/1034991234.db2.gz DQIQSZUKZHIOJR-AXHUIFFRSA-N 2 1 383.580 3.988 20 0 GHADMP Clc1ccc(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001208744260 1034995214 /nfs/dbraw/zinc/99/52/14/1034995214.db2.gz NTKMCNKCOHAKPW-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1ccc(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001208744260 1034995216 /nfs/dbraw/zinc/99/52/16/1034995216.db2.gz NTKMCNKCOHAKPW-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1ccc(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001208744260 1034995219 /nfs/dbraw/zinc/99/52/19/1034995219.db2.gz NTKMCNKCOHAKPW-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP c1ccc(COCCOCC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208752463 1034999618 /nfs/dbraw/zinc/99/96/18/1034999618.db2.gz QNBZSLMRULDFHI-VWLOTQADSA-N 2 1 394.559 3.818 20 0 GHADMP c1ccc(COCCOCC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208752463 1034999621 /nfs/dbraw/zinc/99/96/21/1034999621.db2.gz QNBZSLMRULDFHI-VWLOTQADSA-N 2 1 394.559 3.818 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208752463 1034999624 /nfs/dbraw/zinc/99/96/24/1034999624.db2.gz QNBZSLMRULDFHI-VWLOTQADSA-N 2 1 394.559 3.818 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208752463 1034999627 /nfs/dbraw/zinc/99/96/27/1034999627.db2.gz QNBZSLMRULDFHI-VWLOTQADSA-N 2 1 394.559 3.818 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC001231971752 1035016171 /nfs/dbraw/zinc/01/61/71/1035016171.db2.gz SDOMPNNKSACYHD-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC001231971752 1035016183 /nfs/dbraw/zinc/01/61/83/1035016183.db2.gz SDOMPNNKSACYHD-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC001231971752 1035016191 /nfs/dbraw/zinc/01/61/91/1035016191.db2.gz SDOMPNNKSACYHD-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC001231971752 1035016201 /nfs/dbraw/zinc/01/62/01/1035016201.db2.gz SDOMPNNKSACYHD-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(F)cc4C)CC3)C2)cc1 ZINC001231983578 1035023933 /nfs/dbraw/zinc/02/39/33/1035023933.db2.gz XPHDRWUAZXKFLV-UHFFFAOYSA-N 2 1 383.511 3.705 20 0 GHADMP O=C([C@H]1CCCC[NH2+]C1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160680214 1035033410 /nfs/dbraw/zinc/03/34/10/1035033410.db2.gz RONNZEKQLVXPOU-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)cc1 ZINC001160744222 1035053299 /nfs/dbraw/zinc/05/32/99/1035053299.db2.gz YWQIFEBVGQDDLA-HOTGVXAUSA-N 2 1 393.388 3.571 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@@H](C)C(F)(F)F)CC2 ZINC001208888281 1035076481 /nfs/dbraw/zinc/07/64/81/1035076481.db2.gz PAZDDMZEGPKOEL-CABCVRRESA-N 2 1 391.503 3.644 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1)c1cccc2ccccc21 ZINC001160855338 1035080155 /nfs/dbraw/zinc/08/01/55/1035080155.db2.gz POOIGHCXHNIIBC-BJKOFHAPSA-N 2 1 385.511 3.671 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1)c1cccc2ccccc21 ZINC001160855338 1035080163 /nfs/dbraw/zinc/08/01/63/1035080163.db2.gz POOIGHCXHNIIBC-BJKOFHAPSA-N 2 1 385.511 3.671 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C)nc4C)CC3)C2)c1 ZINC001232081695 1035083044 /nfs/dbraw/zinc/08/30/44/1035083044.db2.gz FHJOGPDFVYTHPL-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C)nc4C)CC3)C2)c1 ZINC001232081695 1035083049 /nfs/dbraw/zinc/08/30/49/1035083049.db2.gz FHJOGPDFVYTHPL-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP CCCCN(C(=O)C[NH2+]C1CC[NH2+]CC1)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160921849 1035094316 /nfs/dbraw/zinc/09/43/16/1035094316.db2.gz OLNLMMQNIBTWKS-MRXNPFEDSA-N 2 1 399.501 3.607 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934725 1035101110 /nfs/dbraw/zinc/10/11/10/1035101110.db2.gz IKHWYGVZSWOWRV-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[NH+]2C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208934725 1035101122 /nfs/dbraw/zinc/10/11/22/1035101122.db2.gz IKHWYGVZSWOWRV-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[NH+]2C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934725 1035101127 /nfs/dbraw/zinc/10/11/27/1035101127.db2.gz IKHWYGVZSWOWRV-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP [NH3+]CCc1cn(C(F)(F)Oc2ccc3c(Cl)ncnc3c2)c2cc[nH+]cc12 ZINC001160950988 1035103626 /nfs/dbraw/zinc/10/36/26/1035103626.db2.gz YJBUVBWRFXOBDA-UHFFFAOYSA-N 2 1 389.793 3.720 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938124 1035106314 /nfs/dbraw/zinc/10/63/14/1035106314.db2.gz WYOQCIIAQBXGIJ-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938124 1035106319 /nfs/dbraw/zinc/10/63/19/1035106319.db2.gz WYOQCIIAQBXGIJ-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938124 1035106324 /nfs/dbraw/zinc/10/63/24/1035106324.db2.gz WYOQCIIAQBXGIJ-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938124 1035106327 /nfs/dbraw/zinc/10/63/27/1035106327.db2.gz WYOQCIIAQBXGIJ-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941517 1035110306 /nfs/dbraw/zinc/11/03/06/1035110306.db2.gz LFHTZSQLQIADSK-MZYLBHOOSA-N 2 1 378.516 3.745 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941517 1035110313 /nfs/dbraw/zinc/11/03/13/1035110313.db2.gz LFHTZSQLQIADSK-MZYLBHOOSA-N 2 1 378.516 3.745 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001208941517 1035110319 /nfs/dbraw/zinc/11/03/19/1035110319.db2.gz LFHTZSQLQIADSK-MZYLBHOOSA-N 2 1 378.516 3.745 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208944508 1035116016 /nfs/dbraw/zinc/11/60/16/1035116016.db2.gz XAJCFBGCPFXXOI-QFIPXVFZSA-N 2 1 392.543 3.672 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208944508 1035116018 /nfs/dbraw/zinc/11/60/18/1035116018.db2.gz XAJCFBGCPFXXOI-QFIPXVFZSA-N 2 1 392.543 3.672 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208944508 1035116024 /nfs/dbraw/zinc/11/60/24/1035116024.db2.gz XAJCFBGCPFXXOI-QFIPXVFZSA-N 2 1 392.543 3.672 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208944508 1035116029 /nfs/dbraw/zinc/11/60/29/1035116029.db2.gz XAJCFBGCPFXXOI-QFIPXVFZSA-N 2 1 392.543 3.672 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949868 1035120211 /nfs/dbraw/zinc/12/02/11/1035120211.db2.gz ZEJIRNVQJMJFAM-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949868 1035120215 /nfs/dbraw/zinc/12/02/15/1035120215.db2.gz ZEJIRNVQJMJFAM-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949868 1035120219 /nfs/dbraw/zinc/12/02/19/1035120219.db2.gz ZEJIRNVQJMJFAM-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949868 1035120225 /nfs/dbraw/zinc/12/02/25/1035120225.db2.gz ZEJIRNVQJMJFAM-NFBKMPQASA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949870 1035120506 /nfs/dbraw/zinc/12/05/06/1035120506.db2.gz ZEJIRNVQJMJFAM-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949870 1035120514 /nfs/dbraw/zinc/12/05/14/1035120514.db2.gz ZEJIRNVQJMJFAM-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949870 1035120516 /nfs/dbraw/zinc/12/05/16/1035120516.db2.gz ZEJIRNVQJMJFAM-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949870 1035120521 /nfs/dbraw/zinc/12/05/21/1035120521.db2.gz ZEJIRNVQJMJFAM-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC1(C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950894 1035121637 /nfs/dbraw/zinc/12/16/37/1035121637.db2.gz XLCXRSSHHQHQLX-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP COc1ccc(C(=O)C2CC[NH+](Cc3cc(F)cc(C[NH+](C)C)c3)CC2)cc1 ZINC001232145670 1035122745 /nfs/dbraw/zinc/12/27/45/1035122745.db2.gz CTMHEUMJLBTHGP-UHFFFAOYSA-N 2 1 384.495 3.991 20 0 GHADMP CN(C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1)C(=O)OC(C)(C)C ZINC001232145069 1035123271 /nfs/dbraw/zinc/12/32/71/1035123271.db2.gz UBEYYUPPDUYSFF-KRWDZBQOSA-N 2 1 393.547 3.966 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208953017 1035126145 /nfs/dbraw/zinc/12/61/45/1035126145.db2.gz OCTQYBCFPGRESM-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208953017 1035126149 /nfs/dbraw/zinc/12/61/49/1035126149.db2.gz OCTQYBCFPGRESM-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208953017 1035126153 /nfs/dbraw/zinc/12/61/53/1035126153.db2.gz OCTQYBCFPGRESM-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208952533 1035126255 /nfs/dbraw/zinc/12/62/55/1035126255.db2.gz KDASLHNHYRGYKK-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952533 1035126259 /nfs/dbraw/zinc/12/62/59/1035126259.db2.gz KDASLHNHYRGYKK-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952533 1035126262 /nfs/dbraw/zinc/12/62/62/1035126262.db2.gz KDASLHNHYRGYKK-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208957503 1035130168 /nfs/dbraw/zinc/13/01/68/1035130168.db2.gz LHJPNDLPAKMYPF-PKTZIBPZSA-N 2 1 384.564 3.954 20 0 GHADMP CC(=O)N1CCC[C@@H](C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001208960243 1035131404 /nfs/dbraw/zinc/13/14/04/1035131404.db2.gz WVOYRCUYTNYZHH-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001208960248 1035132079 /nfs/dbraw/zinc/13/20/79/1035132079.db2.gz WVOYRCUYTNYZHH-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC001161161330 1035163045 /nfs/dbraw/zinc/16/30/45/1035163045.db2.gz SIEYRKPIWNZTEH-LJQANCHMSA-N 2 1 394.346 3.974 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001209154665 1035195500 /nfs/dbraw/zinc/19/55/00/1035195500.db2.gz QNQNDOHFHIUJQZ-ILWGZMRPSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209154665 1035195502 /nfs/dbraw/zinc/19/55/02/1035195502.db2.gz QNQNDOHFHIUJQZ-ILWGZMRPSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209154665 1035195503 /nfs/dbraw/zinc/19/55/03/1035195503.db2.gz QNQNDOHFHIUJQZ-ILWGZMRPSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209154665 1035195505 /nfs/dbraw/zinc/19/55/05/1035195505.db2.gz QNQNDOHFHIUJQZ-ILWGZMRPSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209154665 1035195509 /nfs/dbraw/zinc/19/55/09/1035195509.db2.gz QNQNDOHFHIUJQZ-ILWGZMRPSA-N 2 1 387.568 3.736 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CCCc4cccnc4)CC3)C2)cc1 ZINC001209173136 1035199360 /nfs/dbraw/zinc/19/93/60/1035199360.db2.gz BGBNWJDTWHFZMH-UHFFFAOYSA-N 2 1 379.548 3.690 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCc1ccc(F)c(F)c1)CC2 ZINC001209242237 1035217377 /nfs/dbraw/zinc/21/73/77/1035217377.db2.gz UIKPHESJRPZMCE-GOSISDBHSA-N 2 1 390.474 3.856 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3ncc4c(n3)CC[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161458566 1035235559 /nfs/dbraw/zinc/23/55/59/1035235559.db2.gz VHSBONQOSMVTIV-LADGPHEKSA-N 2 1 399.542 3.593 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3ncc4c(n3)C[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161461248 1035236236 /nfs/dbraw/zinc/23/62/36/1035236236.db2.gz JOQXUEWQDCUSQE-FGZHOGPDSA-N 2 1 385.515 3.550 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC001209378982 1035262076 /nfs/dbraw/zinc/26/20/76/1035262076.db2.gz GSUSQKHZKKHGMQ-XEMDLRDOSA-N 2 1 375.557 3.925 20 0 GHADMP C[C@H]1CC(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383595 1035264710 /nfs/dbraw/zinc/26/47/10/1035264710.db2.gz XHHJYEGBIBGEHZ-WJNSRDFLSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@H]1CC(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)C[C@H](C)O1 ZINC001209383595 1035264712 /nfs/dbraw/zinc/26/47/12/1035264712.db2.gz XHHJYEGBIBGEHZ-WJNSRDFLSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@H]1CC(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)C[C@H](C)O1 ZINC001209383595 1035264718 /nfs/dbraw/zinc/26/47/18/1035264718.db2.gz XHHJYEGBIBGEHZ-WJNSRDFLSA-N 2 1 390.612 3.651 20 0 GHADMP COC1CCC(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001209390582 1035266122 /nfs/dbraw/zinc/26/61/22/1035266122.db2.gz BECYFKFCFACDMM-QFUKKKHRSA-N 2 1 390.612 3.652 20 0 GHADMP COC1CCC(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001209390582 1035266127 /nfs/dbraw/zinc/26/61/27/1035266127.db2.gz BECYFKFCFACDMM-QFUKKKHRSA-N 2 1 390.612 3.652 20 0 GHADMP COC1CCC(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001209390582 1035266138 /nfs/dbraw/zinc/26/61/38/1035266138.db2.gz BECYFKFCFACDMM-QFUKKKHRSA-N 2 1 390.612 3.652 20 0 GHADMP CC[C@H](C[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209464031 1035281163 /nfs/dbraw/zinc/28/11/63/1035281163.db2.gz VMYUZQFMCGLZAO-NJDAHSKKSA-N 2 1 387.568 3.662 20 0 GHADMP C[N@@H+]1CCC=C(c2ncc3c(c2F)COC32CC[NH+](Cc3ccccc3)CC2)C1 ZINC001241567259 1035625564 /nfs/dbraw/zinc/62/55/64/1035625564.db2.gz SPPSCIDMRDLPRD-UHFFFAOYSA-N 2 1 393.506 3.961 20 0 GHADMP C[N@H+]1CCC=C(c2ncc3c(c2F)COC32CC[NH+](Cc3ccccc3)CC2)C1 ZINC001241567259 1035625569 /nfs/dbraw/zinc/62/55/69/1035625569.db2.gz SPPSCIDMRDLPRD-UHFFFAOYSA-N 2 1 393.506 3.961 20 0 GHADMP CC[N@H+]1CC=C(c2cnc(-c3cccc(C[NH+]4CCOCC4)c3)c(C)c2)CC1 ZINC001241815556 1035706755 /nfs/dbraw/zinc/70/67/55/1035706755.db2.gz QDOSRMDHAWIZNP-UHFFFAOYSA-N 2 1 377.532 3.998 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3cccc(C[NH+]4CCOCC4)c3)c(C)c2)CC1 ZINC001241815556 1035706777 /nfs/dbraw/zinc/70/67/77/1035706777.db2.gz QDOSRMDHAWIZNP-UHFFFAOYSA-N 2 1 377.532 3.998 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC001462078267 1069982449 /nfs/dbraw/zinc/98/24/49/1069982449.db2.gz BYJXTAJMZWLEPR-XDNAFOTISA-N 2 1 386.527 3.986 20 0 GHADMP C[NH+]1CCN(c2cccc(-c3ccc([C@H]4CN5CCSC5=[NH+]4)cc3)c2)CC1 ZINC001243670816 1036246844 /nfs/dbraw/zinc/24/68/44/1036246844.db2.gz BJQWQOXAQMFXOY-OAQYLSRUSA-N 2 1 378.545 3.565 20 0 GHADMP CC(C)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246036566 1037152248 /nfs/dbraw/zinc/15/22/48/1037152248.db2.gz RQAINQHVTGOIRF-CAOCKLPOSA-N 2 1 394.559 3.629 20 0 GHADMP O[C@@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC001246040866 1037154018 /nfs/dbraw/zinc/15/40/18/1037154018.db2.gz WCAMQBWEKGZWNO-HJOGWXRNSA-N 2 1 378.560 3.891 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246051990 1037162619 /nfs/dbraw/zinc/16/26/19/1037162619.db2.gz KXOKHWHPBARCRD-KNQAVFIVSA-N 2 1 382.548 3.824 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001246058372 1037171447 /nfs/dbraw/zinc/17/14/47/1037171447.db2.gz KQZDBELKFGYJPA-KMDXXIMOSA-N 2 1 392.568 3.861 20 0 GHADMP CCC[N@@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C1CC[NH2+]CC1 ZINC001246060006 1037172323 /nfs/dbraw/zinc/17/23/23/1037172323.db2.gz BSOCMVFFOTYNKI-GOSISDBHSA-N 2 1 381.520 3.525 20 0 GHADMP O[C@]1(CN2CC[C@H]3Nc4ccc(Cl)cc4[C@@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246062754 1037175729 /nfs/dbraw/zinc/17/57/29/1037175729.db2.gz GAPFPIZNLXBJQB-WWNPGLIZSA-N 2 1 397.950 3.560 20 0 GHADMP O[C@]1(CN2CC[C@@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246062753 1037175890 /nfs/dbraw/zinc/17/58/90/1037175890.db2.gz GAPFPIZNLXBJQB-PUHATCMVSA-N 2 1 397.950 3.560 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246068933 1037182555 /nfs/dbraw/zinc/18/25/55/1037182555.db2.gz UNUWZCFPORWNOP-DNVJHFABSA-N 2 1 382.548 3.815 20 0 GHADMP COc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068491 1037184246 /nfs/dbraw/zinc/18/42/46/1037184246.db2.gz SRAOBZGDYMCXFV-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]CCC4C[NH2+]C4)C[C@@H]23)cc1 ZINC001246185853 1037228246 /nfs/dbraw/zinc/22/82/46/1037228246.db2.gz CUJQTJWRHDYTBU-TWJOJJKGSA-N 3 1 389.587 3.951 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c2ccccc12 ZINC001246196419 1037233232 /nfs/dbraw/zinc/23/32/32/1037233232.db2.gz FSFYTYSQAYRZSC-CEMLEFRQSA-N 2 1 391.515 3.740 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@]3(C)CC[NH2+]CC3(F)F)CC2)cc1 ZINC001246218802 1037242793 /nfs/dbraw/zinc/24/27/93/1037242793.db2.gz DWMHXHVFDSVQDI-NLPFYKDJSA-N 2 1 380.479 3.863 20 0 GHADMP COc1cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]2CCC[NH2+]CC2)cc2ccccc21 ZINC001246286311 1037277268 /nfs/dbraw/zinc/27/72/68/1037277268.db2.gz JWWYTWDHOGPCTH-NQIIRXRSSA-N 2 1 383.536 3.933 20 0 GHADMP OC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001246311989 1037289531 /nfs/dbraw/zinc/28/95/31/1037289531.db2.gz BJIQABUICQLUNR-SLFFLAALSA-N 2 1 378.438 3.692 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246347291 1037307589 /nfs/dbraw/zinc/30/75/89/1037307589.db2.gz OXZXSVFQJUNNAQ-RUMRUAAYSA-N 2 1 392.591 3.627 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H](C)N1Cc1ccccc1 ZINC001246347291 1037307606 /nfs/dbraw/zinc/30/76/06/1037307606.db2.gz OXZXSVFQJUNNAQ-RUMRUAAYSA-N 2 1 392.591 3.627 20 0 GHADMP C[C@@H]1C[C@@H](NCc2cccc(N3CC[NH2+]CC3)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246347291 1037307628 /nfs/dbraw/zinc/30/76/28/1037307628.db2.gz OXZXSVFQJUNNAQ-RUMRUAAYSA-N 2 1 392.591 3.627 20 0 GHADMP C[C@@H]1C[C@@H](NCc2cccc(N3CC[NH2+]CC3)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246347291 1037307647 /nfs/dbraw/zinc/30/76/47/1037307647.db2.gz OXZXSVFQJUNNAQ-RUMRUAAYSA-N 2 1 392.591 3.627 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1cccc(Br)c1 ZINC001246376155 1037332787 /nfs/dbraw/zinc/33/27/87/1037332787.db2.gz MNPKECITXILNMC-BBWFWOEESA-N 2 1 397.357 3.810 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3cccc(C(F)(F)F)c3)CC[NH2+]CC1)C2 ZINC001246381361 1037340292 /nfs/dbraw/zinc/34/02/92/1037340292.db2.gz QATKMPWDXOVUKG-ACDBMABISA-N 3 1 395.513 3.932 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3cccc(C(F)(F)F)c3)CC[NH2+]CC1)C2 ZINC001246381361 1037340309 /nfs/dbraw/zinc/34/03/09/1037340309.db2.gz QATKMPWDXOVUKG-ACDBMABISA-N 2 1 395.513 3.932 20 0 GHADMP COc1cccc(CC2(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246382196 1037343188 /nfs/dbraw/zinc/34/31/88/1037343188.db2.gz ZELIIBJNPNRWSZ-UPVQGACJSA-N 3 1 393.575 3.690 20 0 GHADMP Fc1ccc(CC2(C[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246384034 1037344983 /nfs/dbraw/zinc/34/49/83/1037344983.db2.gz LKGGYLYTOGPILL-DHIUTWEWSA-N 3 1 381.539 3.821 20 0 GHADMP CC[C@H]1CC([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)C[C@H](CC)[NH2+]1 ZINC001246393175 1037354865 /nfs/dbraw/zinc/35/48/65/1037354865.db2.gz WGDCQMVGWQGMCL-OALUTQOASA-N 2 1 381.499 3.934 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](CC)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246393735 1037355403 /nfs/dbraw/zinc/35/54/03/1037355403.db2.gz HKCPQWZYQNVWIP-WSTXMBPASA-N 2 1 399.535 3.575 20 0 GHADMP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246421829 1037378370 /nfs/dbraw/zinc/37/83/70/1037378370.db2.gz IRYVHPNRMXNXAK-GOSISDBHSA-N 2 1 381.486 3.796 20 0 GHADMP C[C@@H]1C[C@@H](N[C@H]([C@@H]2CCC[NH2+]C2)C(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246489488 1037434757 /nfs/dbraw/zinc/43/47/57/1037434757.db2.gz PTVRTXFCKRSVGQ-QQXMDYFESA-N 2 1 383.502 3.948 20 0 GHADMP CC[C@@H]1CC(NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCOC)C[C@@H](CC)[NH2+]1 ZINC001246512303 1037449856 /nfs/dbraw/zinc/44/98/56/1037449856.db2.gz FBWXCJCCDBFZQX-SFHLNBCPSA-N 2 1 381.992 3.858 20 0 GHADMP CC[C@@H]1CC(NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)C[C@@H](CC)[NH2+]1 ZINC001246512303 1037449869 /nfs/dbraw/zinc/44/98/69/1037449869.db2.gz FBWXCJCCDBFZQX-SFHLNBCPSA-N 2 1 381.992 3.858 20 0 GHADMP COC(=O)c1ccc([C@H]([NH3+])CN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001246526346 1037456455 /nfs/dbraw/zinc/45/64/55/1037456455.db2.gz PTAYNJUAVXJIBB-FGZHOGPDSA-N 2 1 395.547 3.506 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246535854 1037471485 /nfs/dbraw/zinc/47/14/85/1037471485.db2.gz MPMAAUTXWSLQKF-UUBJJMNHSA-N 2 1 375.560 3.681 20 0 GHADMP C[C@@H]1CC[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC[C@H]1C[NH3+] ZINC001246562014 1037479993 /nfs/dbraw/zinc/47/99/93/1037479993.db2.gz VMCMCGVQDUWWBU-FBKNVZDASA-N 2 1 383.580 3.624 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246594485 1037491946 /nfs/dbraw/zinc/49/19/46/1037491946.db2.gz WBQNUVBYLOCYFG-SYYKKAFVSA-N 2 1 376.516 3.983 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246594485 1037491959 /nfs/dbraw/zinc/49/19/59/1037491959.db2.gz WBQNUVBYLOCYFG-SYYKKAFVSA-N 2 1 376.516 3.983 20 0 GHADMP CC1(C)C[C@H](N2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246598846 1037495883 /nfs/dbraw/zinc/49/58/83/1037495883.db2.gz IZCHZQJQEKRDOR-BJKOFHAPSA-N 2 1 377.576 3.946 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCC[C@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246610648 1037502551 /nfs/dbraw/zinc/50/25/51/1037502551.db2.gz QXFYDUPLVIRBIR-CDNNERCOSA-N 2 1 381.564 3.535 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246614539 1037505246 /nfs/dbraw/zinc/50/52/46/1037505246.db2.gz NUDDDVUFEBZQBJ-CKHPTIKVSA-N 2 1 376.928 3.521 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001246614539 1037505269 /nfs/dbraw/zinc/50/52/69/1037505269.db2.gz NUDDDVUFEBZQBJ-CKHPTIKVSA-N 2 1 376.928 3.521 20 0 GHADMP CC1(C)COC2(CCC([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)OC1 ZINC001246675672 1037543779 /nfs/dbraw/zinc/54/37/79/1037543779.db2.gz XNAMLQMBZXRKQC-URXFXBBRSA-N 2 1 398.591 3.952 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+]([C@H]2CCC[C@]4(CC[NH2+]C4)C2)CC3)c1 ZINC001246696652 1037553999 /nfs/dbraw/zinc/55/39/99/1037553999.db2.gz RYBVHIABZSPMTM-CVDCTZTESA-N 2 1 380.511 3.606 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246707532 1037561732 /nfs/dbraw/zinc/56/17/32/1037561732.db2.gz BHLYSBJAWULHOE-FLQYYVGBSA-N 2 1 387.568 3.641 20 0 GHADMP c1ccc(OC[C@@]23CCCO[C@H]2CC[N@H+](C2CCC4(CCC[NH2+]C4)CC2)C3)nc1 ZINC001246708352 1037562095 /nfs/dbraw/zinc/56/20/95/1037562095.db2.gz FKMPFCWWKBGJAD-KGLJTUJHSA-N 2 1 399.579 3.644 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246710707 1037562377 /nfs/dbraw/zinc/56/23/77/1037562377.db2.gz SRNPHADTNVPKJT-XQBPLPMBSA-N 2 1 389.609 3.987 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246714950 1037566473 /nfs/dbraw/zinc/56/64/73/1037566473.db2.gz AAESOLUUEWNKFI-CBJLPSGESA-N 2 1 385.596 3.975 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246714950 1037566486 /nfs/dbraw/zinc/56/64/86/1037566486.db2.gz AAESOLUUEWNKFI-CBJLPSGESA-N 2 1 385.596 3.975 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1ccc(F)cc1 ZINC001246714679 1037566997 /nfs/dbraw/zinc/56/69/97/1037566997.db2.gz MBXOFNIVFKJACG-FIXSFTCYSA-N 2 1 393.506 3.748 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1ccc(F)cc1 ZINC001246714679 1037567001 /nfs/dbraw/zinc/56/70/01/1037567001.db2.gz MBXOFNIVFKJACG-FIXSFTCYSA-N 2 1 393.506 3.748 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)C[C@H](CC)[NH2+]1 ZINC001246720444 1037572015 /nfs/dbraw/zinc/57/20/15/1037572015.db2.gz MCUBWRVHJLWUCL-KBOSCXGNSA-N 2 1 397.607 3.853 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+]([C@@H]2CCC4(C2)CC[NH2+]CC4)CC3)cc1 ZINC001246722769 1037572849 /nfs/dbraw/zinc/57/28/49/1037572849.db2.gz VCBOMFOMAKNJJI-LJQANCHMSA-N 2 1 380.511 3.606 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@H](CC)[NH2+]1 ZINC001246722386 1037573411 /nfs/dbraw/zinc/57/34/11/1037573411.db2.gz NQFXQODGTXPDIA-FCIYXJNOSA-N 2 1 389.609 3.985 20 0 GHADMP CC[C@H]1[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246723994 1037575839 /nfs/dbraw/zinc/57/58/39/1037575839.db2.gz SUSYWFJVLMEXDQ-MDRJSERKSA-N 2 1 387.612 3.944 20 0 GHADMP Clc1cccc2c1C[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCC4)c3C1)CC2 ZINC001246730146 1037577836 /nfs/dbraw/zinc/57/78/36/1037577836.db2.gz GUKHYUCEMPTYPF-SFHVURJKSA-N 2 1 384.955 3.942 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CC[NH2+]1 ZINC001246729147 1037577967 /nfs/dbraw/zinc/57/79/67/1037577967.db2.gz NNGXEJVJFHBIHD-CQOQZXRMSA-N 2 1 383.580 3.730 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)C[C@@H](CC)[NH2+]1 ZINC001246730597 1037580527 /nfs/dbraw/zinc/58/05/27/1037580527.db2.gz UHEIICUYWYEBBP-LGVFNWMJSA-N 2 1 383.580 3.729 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)c1 ZINC001246750136 1037591505 /nfs/dbraw/zinc/59/15/05/1037591505.db2.gz SVUKTNASVVPIFF-FYYLOGMGSA-N 2 1 381.564 3.879 20 0 GHADMP CC[C@H]1CC(N2CCC3(CC2)CN(Cc2ccccc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246755703 1037595473 /nfs/dbraw/zinc/59/54/73/1037595473.db2.gz IYGUHMOKCQVLRP-VXKWHMMOSA-N 3 1 385.596 3.663 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1cccc(F)c1 ZINC001246759176 1037601856 /nfs/dbraw/zinc/60/18/56/1037601856.db2.gz QLWZOHGWXVPKOO-IRLDBZIGSA-N 2 1 385.527 3.709 20 0 GHADMP C(OC[C@]12COC[C@H]1C[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2)C1CCCC1 ZINC001246760611 1037605408 /nfs/dbraw/zinc/60/54/08/1037605408.db2.gz XCQZHJGSOIAQNO-BHIFYINESA-N 2 1 376.585 3.597 20 0 GHADMP c1ccc(O[C@H]2CO[C@@]3(C2)CCC[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246770593 1037613403 /nfs/dbraw/zinc/61/34/03/1037613403.db2.gz ZTIVIZJXTXIKQU-MIZPHKNDSA-N 2 1 385.552 3.539 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770396 1037613649 /nfs/dbraw/zinc/61/36/49/1037613649.db2.gz YKDGFJSWAPPJFR-AGILITTLSA-N 2 1 396.623 3.926 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770396 1037613654 /nfs/dbraw/zinc/61/36/54/1037613654.db2.gz YKDGFJSWAPPJFR-AGILITTLSA-N 3 1 396.623 3.926 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770396 1037613660 /nfs/dbraw/zinc/61/36/60/1037613660.db2.gz YKDGFJSWAPPJFR-AGILITTLSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770396 1037613668 /nfs/dbraw/zinc/61/36/68/1037613668.db2.gz YKDGFJSWAPPJFR-AGILITTLSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770396 1037613673 /nfs/dbraw/zinc/61/36/73/1037613673.db2.gz YKDGFJSWAPPJFR-AGILITTLSA-N 3 1 396.623 3.926 20 0 GHADMP FC(F)(F)c1ccc(O[C@@H]2CCC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)cc1 ZINC001246780051 1037618844 /nfs/dbraw/zinc/61/88/44/1037618844.db2.gz MCOHICWCASGZIH-SKINQDTJSA-N 2 1 398.469 3.850 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246782855 1037624312 /nfs/dbraw/zinc/62/43/12/1037624312.db2.gz LMUYVBWAWNJXJN-MOPGFXCFSA-N 2 1 394.401 3.733 20 0 GHADMP CCOC(=O)CCC1CC[NH+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246789947 1037629026 /nfs/dbraw/zinc/62/90/26/1037629026.db2.gz KJSUTGQPFVFCHC-FPOVZHCZSA-N 2 1 376.516 3.983 20 0 GHADMP Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+]([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC001246792362 1037630563 /nfs/dbraw/zinc/63/05/63/1037630563.db2.gz VEJYFXAVEQTNHA-JOCHJYFZSA-N 2 1 385.502 3.814 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246805615 1037641096 /nfs/dbraw/zinc/64/10/96/1037641096.db2.gz KLULTRZVEOXQBC-ZGFBMJKBSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246805615 1037641102 /nfs/dbraw/zinc/64/11/02/1037641102.db2.gz KLULTRZVEOXQBC-ZGFBMJKBSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246805615 1037641111 /nfs/dbraw/zinc/64/11/11/1037641111.db2.gz KLULTRZVEOXQBC-ZGFBMJKBSA-N 2 1 375.560 3.556 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246808189 1037642692 /nfs/dbraw/zinc/64/26/92/1037642692.db2.gz RLPLFYUUXMVLAD-NLFFAJNJSA-N 2 1 393.575 3.842 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246815706 1037648013 /nfs/dbraw/zinc/64/80/13/1037648013.db2.gz BIQBFMCXWIRXRE-QZTJIDSGSA-N 2 1 380.374 3.738 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)c1 ZINC001246838095 1037666529 /nfs/dbraw/zinc/66/65/29/1037666529.db2.gz AYCUNPCVLMIQNG-QPPBQGQZSA-N 2 1 397.538 3.754 20 0 GHADMP c1ccc(CN2CC[C@H]([N@@H+](Cc3ccccc3)[C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246840681 1037668374 /nfs/dbraw/zinc/66/83/74/1037668374.db2.gz PQSVTLZVCGFTTE-ZEQRLZLVSA-N 2 1 375.560 3.905 20 0 GHADMP CCOc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)o1 ZINC001462200440 1070078093 /nfs/dbraw/zinc/07/80/93/1070078093.db2.gz IVPDUSCYGYPCNL-UHFFFAOYSA-N 2 1 387.524 3.795 20 0 GHADMP CCOc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)o1 ZINC001462200440 1070078114 /nfs/dbraw/zinc/07/81/14/1070078114.db2.gz IVPDUSCYGYPCNL-UHFFFAOYSA-N 2 1 387.524 3.795 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246875971 1037687838 /nfs/dbraw/zinc/68/78/38/1037687838.db2.gz KJQCLWIUQTWBMC-NJYVYQBISA-N 2 1 380.532 3.639 20 0 GHADMP [NH3+]C1CN([C@H]2CCC[N@H+](C3CCC(c4ccc(Br)cc4)CC3)C2)C1 ZINC001246874135 1037688245 /nfs/dbraw/zinc/68/82/45/1037688245.db2.gz VQIUCPZRAZLROT-GQOXECLESA-N 2 1 392.385 3.583 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246875969 1037689042 /nfs/dbraw/zinc/68/90/42/1037689042.db2.gz KJQCLWIUQTWBMC-HKBOAZHASA-N 2 1 380.532 3.639 20 0 GHADMP COc1cc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)ccc1Cl ZINC001246891970 1037707468 /nfs/dbraw/zinc/70/74/68/1037707468.db2.gz ZORWXBKGHQNVHH-GOSISDBHSA-N 2 1 377.960 3.926 20 0 GHADMP CSc1nc(Cl)cc(N2CCC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)n1 ZINC001246910154 1037717579 /nfs/dbraw/zinc/71/75/79/1037717579.db2.gz LCFZXYYLGDVPLF-CABCVRRESA-N 2 1 398.020 3.531 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC[NH2+]1 ZINC001246910065 1037718353 /nfs/dbraw/zinc/71/83/53/1037718353.db2.gz JFLNOEOADOQTDH-HOTGVXAUSA-N 2 1 398.020 3.675 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC[NH2+]1 ZINC001246910065 1037718372 /nfs/dbraw/zinc/71/83/72/1037718372.db2.gz JFLNOEOADOQTDH-HOTGVXAUSA-N 2 1 398.020 3.675 20 0 GHADMP C[NH2+]C1CCC([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001246931036 1037735681 /nfs/dbraw/zinc/73/56/81/1037735681.db2.gz MTLHFISMZCJGPD-KXTRFFEISA-N 2 1 391.559 3.820 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)CC2 ZINC001246934633 1037736164 /nfs/dbraw/zinc/73/61/64/1037736164.db2.gz JNLKYWKLVOGXGH-AZXFEVOCSA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)CC2 ZINC001246934633 1037736184 /nfs/dbraw/zinc/73/61/84/1037736184.db2.gz JNLKYWKLVOGXGH-AZXFEVOCSA-N 2 1 388.527 3.892 20 0 GHADMP O=C1CC[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936892 1037743202 /nfs/dbraw/zinc/74/32/02/1037743202.db2.gz KKSIVZWBXSEGCK-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP c1ccc([C@H]2CCC[C@H]([N@@H+](CCCN3CCOCC3)CC3CC[NH2+]CC3)C2)cc1 ZINC001246942292 1037747938 /nfs/dbraw/zinc/74/79/38/1037747938.db2.gz JKQCLJUNYROMHH-DQEYMECFSA-N 2 1 399.623 3.737 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)C1 ZINC001246944541 1037749365 /nfs/dbraw/zinc/74/93/65/1037749365.db2.gz VDGPUYOYOPEDRM-PZJWPPBQSA-N 2 1 376.516 3.749 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246951493 1037756662 /nfs/dbraw/zinc/75/66/62/1037756662.db2.gz KEYKJAOTBRDILI-HXUWFJFHSA-N 2 1 391.531 3.699 20 0 GHADMP CCOC(=O)C1CCC([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246953324 1037760501 /nfs/dbraw/zinc/76/05/01/1037760501.db2.gz BITXXZNBHONPOF-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246953324 1037760519 /nfs/dbraw/zinc/76/05/19/1037760519.db2.gz BITXXZNBHONPOF-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246952693 1037760574 /nfs/dbraw/zinc/76/05/74/1037760574.db2.gz MBCGUGMBMCBWAY-QDSKXPNFSA-N 2 1 378.564 3.689 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001246956661 1037767030 /nfs/dbraw/zinc/76/70/30/1037767030.db2.gz ZMTMMXUVBKRJRL-GOSISDBHSA-N 2 1 396.531 3.667 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)C1 ZINC001246957547 1037771367 /nfs/dbraw/zinc/77/13/67/1037771367.db2.gz BUMQBTXHZIEFJN-DYESRHJHSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246959620 1037778659 /nfs/dbraw/zinc/77/86/59/1037778659.db2.gz XAOZEYQSKJCURI-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)CC(C)(C)SC)C2CC[NH2+]CC2)c1 ZINC001246960477 1037779263 /nfs/dbraw/zinc/77/92/63/1037779263.db2.gz VWONMUXERHVDEI-MRXNPFEDSA-N 2 1 378.582 3.947 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246977912 1037804382 /nfs/dbraw/zinc/80/43/82/1037804382.db2.gz GGPKHNGAYCHNJY-SJLPKXTDSA-N 2 1 385.474 3.874 20 0 GHADMP CC1(C)COC2(CCC([NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)CC2)OC1 ZINC001247001493 1037827270 /nfs/dbraw/zinc/82/72/70/1037827270.db2.gz JDMZIQXELYTFIV-UHFFFAOYSA-N 2 1 384.564 3.835 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001247013883 1037838864 /nfs/dbraw/zinc/83/88/64/1037838864.db2.gz BPFXBIUSNRZIQX-RCJHGTSTSA-N 2 1 380.374 3.657 20 0 GHADMP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2cccnc12 ZINC001232272534 1037997824 /nfs/dbraw/zinc/99/78/24/1037997824.db2.gz HDHKQJZBTAVQAA-UHFFFAOYSA-N 2 1 388.515 3.824 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462237737 1070109978 /nfs/dbraw/zinc/10/99/78/1070109978.db2.gz ZHMVCOCZXDRMMW-WJMWBRGCSA-N 2 1 387.568 3.932 20 0 GHADMP COc1cccc(C)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001232619805 1038406991 /nfs/dbraw/zinc/40/69/91/1038406991.db2.gz GJBFBALCPDMSIS-IBGZPJMESA-N 2 1 384.520 3.852 20 0 GHADMP c1ccc(N2CCCCC2)c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904845 1038476330 /nfs/dbraw/zinc/47/63/30/1038476330.db2.gz AUMKGTCQLYKSPA-GOSISDBHSA-N 2 1 395.551 3.658 20 0 GHADMP FC(F)(F)Oc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247906012 1038477115 /nfs/dbraw/zinc/47/71/15/1038477115.db2.gz RRXCOAHFCUFHTM-AWEZNQCLSA-N 2 1 396.413 3.567 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1C ZINC001233160206 1038933411 /nfs/dbraw/zinc/93/34/11/1038933411.db2.gz RUDXKDNKBLIPRD-HSZRJFAPSA-N 2 1 379.548 3.954 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001252412320 1038989748 /nfs/dbraw/zinc/98/97/48/1038989748.db2.gz XGHIQTJZXNFYIO-XPWALMASSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001252412320 1038989751 /nfs/dbraw/zinc/98/97/51/1038989751.db2.gz XGHIQTJZXNFYIO-XPWALMASSA-N 2 1 398.595 3.555 20 0 GHADMP COc1c(O)cccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001233256623 1039026112 /nfs/dbraw/zinc/02/61/12/1039026112.db2.gz LVINBKDCEJOSNQ-WMQCIHAUSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001233256623 1039026133 /nfs/dbraw/zinc/02/61/33/1039026133.db2.gz LVINBKDCEJOSNQ-WMQCIHAUSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001233256623 1039026148 /nfs/dbraw/zinc/02/61/48/1039026148.db2.gz LVINBKDCEJOSNQ-WMQCIHAUSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001233256623 1039026165 /nfs/dbraw/zinc/02/61/65/1039026165.db2.gz LVINBKDCEJOSNQ-WMQCIHAUSA-N 2 1 381.520 3.528 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccc(Oc3ccccn3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951570 1039295824 /nfs/dbraw/zinc/29/58/24/1039295824.db2.gz TZYXEMVHIGMMPX-DEOSSOPVSA-N 2 1 389.499 3.601 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccc(Oc3ccccn3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951570 1039295836 /nfs/dbraw/zinc/29/58/36/1039295836.db2.gz TZYXEMVHIGMMPX-DEOSSOPVSA-N 2 1 389.499 3.601 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1Cl ZINC001253103056 1039424488 /nfs/dbraw/zinc/42/44/88/1039424488.db2.gz GJJFUBBPNJMEPZ-KRWDZBQOSA-N 2 1 387.955 3.947 20 0 GHADMP O[C@H](C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360456 1039573656 /nfs/dbraw/zinc/57/36/56/1039573656.db2.gz GDGPERISXTVDPH-MIZPHKNDSA-N 2 1 386.486 3.842 20 0 GHADMP O[C@H](C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360456 1039573671 /nfs/dbraw/zinc/57/36/71/1039573671.db2.gz GDGPERISXTVDPH-MIZPHKNDSA-N 2 1 386.486 3.842 20 0 GHADMP O[C@H](C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360456 1039573682 /nfs/dbraw/zinc/57/36/82/1039573682.db2.gz GDGPERISXTVDPH-MIZPHKNDSA-N 2 1 386.486 3.842 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001253822287 1039828344 /nfs/dbraw/zinc/82/83/44/1039828344.db2.gz HKAYKXPOIPZFND-OFNKIYASSA-N 2 1 398.547 3.704 20 0 GHADMP OC1(C[N@H+]2CCc3[nH]c4ccccc4c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254036179 1039967491 /nfs/dbraw/zinc/96/74/91/1039967491.db2.gz FHQZEPWGIVXJHE-UHFFFAOYSA-N 2 1 375.516 3.553 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001254297066 1040148724 /nfs/dbraw/zinc/14/87/24/1040148724.db2.gz HZRBDEIZQBYSCR-LJQANCHMSA-N 2 1 391.531 3.865 20 0 GHADMP c1ccc2c(c1)CCC([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)CC2 ZINC001254454805 1040242430 /nfs/dbraw/zinc/24/24/30/1040242430.db2.gz ITSBGZXWVQBGGY-SOAUALDESA-N 2 1 381.608 3.862 20 0 GHADMP O[C@@]1(C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000722142036 1040268194 /nfs/dbraw/zinc/26/81/94/1040268194.db2.gz CTXSNOWARVYTAY-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000722142036 1040268206 /nfs/dbraw/zinc/26/82/06/1040268206.db2.gz CTXSNOWARVYTAY-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CC1 ZINC001254512031 1040290987 /nfs/dbraw/zinc/29/09/87/1040290987.db2.gz IRMXPXKVBHGGHB-LJQANCHMSA-N 2 1 395.385 3.862 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(CC3CC3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254510733 1040291161 /nfs/dbraw/zinc/29/11/61/1040291161.db2.gz PZSKRXBXNPOIBL-LJQANCHMSA-N 2 1 379.589 3.878 20 0 GHADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001254525108 1040299365 /nfs/dbraw/zinc/29/93/65/1040299365.db2.gz GDFVVLWTMBYGER-GOSISDBHSA-N 2 1 379.342 3.828 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC001254525108 1040299383 /nfs/dbraw/zinc/29/93/83/1040299383.db2.gz GDFVVLWTMBYGER-GOSISDBHSA-N 2 1 379.342 3.828 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cn(C)nc3C3CCCC3)C2)ccn1 ZINC001462457835 1070266703 /nfs/dbraw/zinc/26/67/03/1070266703.db2.gz KIUHDDDMIYLAGX-QFIPXVFZSA-N 2 1 397.567 3.578 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cn(C)nc3C3CCCC3)C2)ccn1 ZINC001462457835 1070266714 /nfs/dbraw/zinc/26/67/14/1070266714.db2.gz KIUHDDDMIYLAGX-QFIPXVFZSA-N 2 1 397.567 3.578 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cn(C)nc3C3CCCC3)C2)ccn1 ZINC001462457835 1070266724 /nfs/dbraw/zinc/26/67/24/1070266724.db2.gz KIUHDDDMIYLAGX-QFIPXVFZSA-N 2 1 397.567 3.578 20 0 GHADMP Brc1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235093964 1040584245 /nfs/dbraw/zinc/58/42/45/1040584245.db2.gz UQADFGYJVFGCPC-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001235134610 1040630896 /nfs/dbraw/zinc/63/08/96/1040630896.db2.gz SZQFOAKKPSFREH-PMACEKPBSA-N 2 1 385.552 3.758 20 0 GHADMP Brc1cc2c(cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)OCO2 ZINC001235158091 1040651737 /nfs/dbraw/zinc/65/17/37/1040651737.db2.gz UQWPHJWAPXAVBU-INIZCTEOSA-N 2 1 381.314 3.532 20 0 GHADMP CCOc1cc(C[N@@H+]2CCCCC23CC[NH2+]CC3)ccc1OCCCOC ZINC001235190561 1040680378 /nfs/dbraw/zinc/68/03/78/1040680378.db2.gz VWNGFFRGPDIGOW-UHFFFAOYSA-N 2 1 376.541 3.609 20 0 GHADMP CCOc1cc(C[N@H+]2CCCCC23CC[NH2+]CC3)ccc1OCCCOC ZINC001235190561 1040680385 /nfs/dbraw/zinc/68/03/85/1040680385.db2.gz VWNGFFRGPDIGOW-UHFFFAOYSA-N 2 1 376.541 3.609 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254966560 1040695431 /nfs/dbraw/zinc/69/54/31/1040695431.db2.gz YZDMTKZAKCHAAG-YHDCXSKOSA-N 2 1 379.589 3.732 20 0 GHADMP Brc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc2c1OCO2 ZINC001235229996 1040709182 /nfs/dbraw/zinc/70/91/82/1040709182.db2.gz MVVDQAKVDZKMDB-MRXNPFEDSA-N 2 1 381.314 3.532 20 0 GHADMP COc1ccc(Br)c(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235236612 1040715481 /nfs/dbraw/zinc/71/54/81/1040715481.db2.gz FSNVETPBFUDNRE-INIZCTEOSA-N 2 1 385.321 3.951 20 0 GHADMP Brc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c2nsnc21 ZINC001235239889 1040721442 /nfs/dbraw/zinc/72/14/42/1040721442.db2.gz KMJHZHLJIQVQKR-HNNXBMFYSA-N 2 1 395.370 3.808 20 0 GHADMP COC(=O)c1cc2cc(C[N@@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)ccc2[nH]1 ZINC001235254926 1040737985 /nfs/dbraw/zinc/73/79/85/1040737985.db2.gz RTVPSTPPGCLJTK-HYBUGGRVSA-N 2 1 389.499 3.676 20 0 GHADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)ccc2[nH]1 ZINC001235254926 1040738001 /nfs/dbraw/zinc/73/80/01/1040738001.db2.gz RTVPSTPPGCLJTK-HYBUGGRVSA-N 2 1 389.499 3.676 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)C[NH2+]C4)C[C@H]21 ZINC001235257779 1040740095 /nfs/dbraw/zinc/74/00/95/1040740095.db2.gz PAFJYVRKESAJQP-CTNGQTDRSA-N 2 1 388.490 3.601 20 0 GHADMP [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255106431 1040786793 /nfs/dbraw/zinc/78/67/93/1040786793.db2.gz VDAIAHFTPNKTSF-QFIPXVFZSA-N 2 1 383.967 3.950 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1C)C2 ZINC001235326170 1040794364 /nfs/dbraw/zinc/79/43/64/1040794364.db2.gz QLKNOVWWZVPPQA-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255122859 1040812298 /nfs/dbraw/zinc/81/22/98/1040812298.db2.gz WICNSYVOYRCGDX-ZHLPAPNQSA-N 2 1 385.552 3.827 20 0 GHADMP CC(=O)N(C)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255123528 1040815727 /nfs/dbraw/zinc/81/57/27/1040815727.db2.gz CIDTXJLOBFDSIJ-VILGAWFOSA-N 2 1 377.532 3.955 20 0 GHADMP CC(=O)N(C)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255123528 1040815731 /nfs/dbraw/zinc/81/57/31/1040815731.db2.gz CIDTXJLOBFDSIJ-VILGAWFOSA-N 2 1 377.532 3.955 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(OC4COC4)cc2)C3)cc1 ZINC001255127200 1040820895 /nfs/dbraw/zinc/82/08/95/1040820895.db2.gz SBGMTXDBPSIVGI-DKUWSORSSA-N 2 1 378.516 3.749 20 0 GHADMP c1ncn(C2CCOCC2)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255132473 1040828934 /nfs/dbraw/zinc/82/89/34/1040828934.db2.gz KMFCAXHSGWCCCM-QQFNCUIESA-N 2 1 380.536 3.520 20 0 GHADMP c1ncn(C2CCOCC2)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132473 1040828941 /nfs/dbraw/zinc/82/89/41/1040828941.db2.gz KMFCAXHSGWCCCM-QQFNCUIESA-N 2 1 380.536 3.520 20 0 GHADMP FC(F)(F)Cn1cnc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255132996 1040831386 /nfs/dbraw/zinc/83/13/86/1040831386.db2.gz OHSTWLJGZCPMBW-GGPHIMKMSA-N 2 1 378.442 3.731 20 0 GHADMP COc1cccc(C2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001255134180 1040832760 /nfs/dbraw/zinc/83/27/60/1040832760.db2.gz YLJCSRCWCVUNME-WKCHPHFGSA-N 2 1 377.532 3.907 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2cccc(-c4cncnc4)c2)CC3)cc1 ZINC001235361537 1040846136 /nfs/dbraw/zinc/84/61/36/1040846136.db2.gz FLGZHJPOUCMEPY-LOSJGSFVSA-N 2 1 384.527 3.897 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150933 1040872214 /nfs/dbraw/zinc/87/22/14/1040872214.db2.gz QCEDPETZIBBEBR-LRSLUSHPSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150933 1040872222 /nfs/dbraw/zinc/87/22/22/1040872222.db2.gz QCEDPETZIBBEBR-LRSLUSHPSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150933 1040872235 /nfs/dbraw/zinc/87/22/35/1040872235.db2.gz QCEDPETZIBBEBR-LRSLUSHPSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150933 1040872250 /nfs/dbraw/zinc/87/22/50/1040872250.db2.gz QCEDPETZIBBEBR-LRSLUSHPSA-N 2 1 393.531 3.739 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(-c4ncccn4)cc2)CC3)cc1 ZINC001235371413 1040878235 /nfs/dbraw/zinc/87/82/35/1040878235.db2.gz QWPGJMAHNMLREH-ILBGXUMGSA-N 2 1 384.527 3.897 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235385833 1040905176 /nfs/dbraw/zinc/90/51/76/1040905176.db2.gz VHJAORLIPXEPFG-WAMBHMGKSA-N 2 1 390.527 3.626 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@@H+]3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)cc2)cc1 ZINC001235394548 1040910151 /nfs/dbraw/zinc/91/01/51/1040910151.db2.gz DNPYDITVXCGNIQ-GCJKJVERSA-N 2 1 383.511 3.972 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427499 1040928715 /nfs/dbraw/zinc/92/87/15/1040928715.db2.gz MDFYICOBBGPRKK-MSOLQXFVSA-N 2 1 383.536 3.865 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431220 1040932540 /nfs/dbraw/zinc/93/25/40/1040932540.db2.gz YSOKEPCLZFXCFU-CABCVRRESA-N 2 1 397.357 3.678 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235433089 1040934226 /nfs/dbraw/zinc/93/42/26/1040934226.db2.gz XBOJUILYQUIANV-GJZGRUSLSA-N 2 1 397.357 3.678 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001255380546 1040971485 /nfs/dbraw/zinc/97/14/85/1040971485.db2.gz SOELSIXHYJJSSI-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001255380546 1040971487 /nfs/dbraw/zinc/97/14/87/1040971487.db2.gz SOELSIXHYJJSSI-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380451 1040971613 /nfs/dbraw/zinc/97/16/13/1040971613.db2.gz KLCZLNMDKLZWHZ-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP [NH3+][C@H](CO)Cc1cn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc12 ZINC001255386545 1040975261 /nfs/dbraw/zinc/97/52/61/1040975261.db2.gz NYWUCZZVGTUSAD-FCHUYYIVSA-N 2 1 377.532 3.731 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3cccc(OC4CCOCC4)n3)CC2)cc1 ZINC001255390587 1040978214 /nfs/dbraw/zinc/97/82/14/1040978214.db2.gz JGTKPUFNPKBLCY-NRFANRHFSA-N 2 1 395.547 3.784 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3cccc(OC4CCOCC4)n3)CC2)cc1 ZINC001255390587 1040978215 /nfs/dbraw/zinc/97/82/15/1040978215.db2.gz JGTKPUFNPKBLCY-NRFANRHFSA-N 2 1 395.547 3.784 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255390713 1040978562 /nfs/dbraw/zinc/97/85/62/1040978562.db2.gz JWWUZCGRINIJJB-RUZDIDTESA-N 3 1 392.591 3.938 20 0 GHADMP c1ccc(CN2CCC[C@@H]([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255390713 1040978574 /nfs/dbraw/zinc/97/85/74/1040978574.db2.gz JWWUZCGRINIJJB-RUZDIDTESA-N 2 1 392.591 3.938 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255395403 1040981020 /nfs/dbraw/zinc/98/10/20/1040981020.db2.gz ACLDYOBDWIBOAM-LEWJYISDSA-N 2 1 380.532 3.988 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@H]2C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393769 1040981353 /nfs/dbraw/zinc/98/13/53/1040981353.db2.gz QIFLZAGGTSZOAR-VQTJNVASSA-N 2 1 393.531 3.765 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255399884 1040986798 /nfs/dbraw/zinc/98/67/98/1040986798.db2.gz BJFMHZNKETZYJX-NNWRFLSQSA-N 2 1 375.516 3.709 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255399884 1040986804 /nfs/dbraw/zinc/98/68/04/1040986804.db2.gz BJFMHZNKETZYJX-NNWRFLSQSA-N 2 1 375.516 3.709 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]12 ZINC001255399884 1040986806 /nfs/dbraw/zinc/98/68/06/1040986806.db2.gz BJFMHZNKETZYJX-NNWRFLSQSA-N 2 1 375.516 3.709 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2[C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255400786 1040987341 /nfs/dbraw/zinc/98/73/41/1040987341.db2.gz NUVRHSNFMCSNIB-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[NH+]2[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255400786 1040987355 /nfs/dbraw/zinc/98/73/55/1040987355.db2.gz NUVRHSNFMCSNIB-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[NH+]2[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255400786 1040987360 /nfs/dbraw/zinc/98/73/60/1040987360.db2.gz NUVRHSNFMCSNIB-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP O=C1[C@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccccc1 ZINC001255404233 1040991898 /nfs/dbraw/zinc/99/18/98/1040991898.db2.gz UTALJFZEGSLKBQ-FIXSFTCYSA-N 2 1 389.543 3.636 20 0 GHADMP O=C1[C@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccccc1 ZINC001255404233 1040991906 /nfs/dbraw/zinc/99/19/06/1040991906.db2.gz UTALJFZEGSLKBQ-FIXSFTCYSA-N 2 1 389.543 3.636 20 0 GHADMP O=C1[C@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccccc1 ZINC001255404233 1040991910 /nfs/dbraw/zinc/99/19/10/1040991910.db2.gz UTALJFZEGSLKBQ-FIXSFTCYSA-N 2 1 389.543 3.636 20 0 GHADMP c1csc(C[NH+]2CCC3(CCN(Cc4ccc5n4CC[NH2+]C5)CC3)CC2)c1 ZINC001235576971 1040995746 /nfs/dbraw/zinc/99/57/46/1040995746.db2.gz VYWZVUZXSZQRJX-UHFFFAOYSA-N 2 1 384.593 3.531 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408876 1040995762 /nfs/dbraw/zinc/99/57/62/1040995762.db2.gz DMZJPIVAMGNRJL-PWRODBHTSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408876 1040995765 /nfs/dbraw/zinc/99/57/65/1040995765.db2.gz DMZJPIVAMGNRJL-PWRODBHTSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408876 1040995771 /nfs/dbraw/zinc/99/57/71/1040995771.db2.gz DMZJPIVAMGNRJL-PWRODBHTSA-N 2 1 385.552 3.592 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409623 1040997266 /nfs/dbraw/zinc/99/72/66/1040997266.db2.gz JEYGBIOMLIJOCP-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409623 1040997269 /nfs/dbraw/zinc/99/72/69/1040997269.db2.gz JEYGBIOMLIJOCP-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409623 1040997273 /nfs/dbraw/zinc/99/72/73/1040997273.db2.gz JEYGBIOMLIJOCP-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409880 1040999473 /nfs/dbraw/zinc/99/94/73/1040999473.db2.gz MLCAEJCPHLEAFA-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409880 1040999486 /nfs/dbraw/zinc/99/94/86/1040999486.db2.gz MLCAEJCPHLEAFA-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409880 1040999491 /nfs/dbraw/zinc/99/94/91/1040999491.db2.gz MLCAEJCPHLEAFA-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410040 1040999605 /nfs/dbraw/zinc/99/96/05/1040999605.db2.gz PWCLSZICOVWIQZ-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410040 1040999607 /nfs/dbraw/zinc/99/96/07/1040999607.db2.gz PWCLSZICOVWIQZ-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP C[N@@H+]1CCC[C@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC001255473287 1041074641 /nfs/dbraw/zinc/07/46/41/1041074641.db2.gz SHOCVUQJPLPLHD-UNMCSNQZSA-N 2 1 391.515 3.521 20 0 GHADMP C[N@H+]1CCC[C@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC001255473287 1041074654 /nfs/dbraw/zinc/07/46/54/1041074654.db2.gz SHOCVUQJPLPLHD-UNMCSNQZSA-N 2 1 391.515 3.521 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255596544 1041156280 /nfs/dbraw/zinc/15/62/80/1041156280.db2.gz YZVVTXGOJJGBSQ-VAMGGRTRSA-N 2 1 391.531 3.907 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Br)c(Br)o1 ZINC001235717403 1041202194 /nfs/dbraw/zinc/20/21/94/1041202194.db2.gz UHHZYMUTZNUNKX-UHFFFAOYSA-N 2 1 380.124 3.626 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255676952 1041208626 /nfs/dbraw/zinc/20/86/26/1041208626.db2.gz JVWQOVHIOAKMMV-UZLDWMDBSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255676952 1041208636 /nfs/dbraw/zinc/20/86/36/1041208636.db2.gz JVWQOVHIOAKMMV-UZLDWMDBSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255676952 1041208654 /nfs/dbraw/zinc/20/86/54/1041208654.db2.gz JVWQOVHIOAKMMV-UZLDWMDBSA-N 3 1 397.607 3.757 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255676952 1041208668 /nfs/dbraw/zinc/20/86/68/1041208668.db2.gz JVWQOVHIOAKMMV-UZLDWMDBSA-N 3 1 397.607 3.757 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255676952 1041208685 /nfs/dbraw/zinc/20/86/85/1041208685.db2.gz JVWQOVHIOAKMMV-UZLDWMDBSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255676952 1041208702 /nfs/dbraw/zinc/20/87/02/1041208702.db2.gz JVWQOVHIOAKMMV-UZLDWMDBSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255676952 1041208707 /nfs/dbraw/zinc/20/87/07/1041208707.db2.gz JVWQOVHIOAKMMV-UZLDWMDBSA-N 3 1 397.607 3.757 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001255914325 1041396738 /nfs/dbraw/zinc/39/67/38/1041396738.db2.gz YDEIUMQWKXOBOA-IBGZPJMESA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001255914325 1041396754 /nfs/dbraw/zinc/39/67/54/1041396754.db2.gz YDEIUMQWKXOBOA-IBGZPJMESA-N 2 1 377.573 3.726 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2F ZINC001255959950 1041438348 /nfs/dbraw/zinc/43/83/48/1041438348.db2.gz QCFQEUIPWIFQHW-WFXMLNOXSA-N 2 1 385.568 3.778 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]2F ZINC001255959950 1041438352 /nfs/dbraw/zinc/43/83/52/1041438352.db2.gz QCFQEUIPWIFQHW-WFXMLNOXSA-N 2 1 385.568 3.778 20 0 GHADMP COCCC[N@H+](Cc1cc(F)ccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235936353 1041442236 /nfs/dbraw/zinc/44/22/36/1041442236.db2.gz BGDIKKMJQITUKE-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COCCC[N@@H+](Cc1cc(F)ccc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235936353 1041442241 /nfs/dbraw/zinc/44/22/41/1041442241.db2.gz BGDIKKMJQITUKE-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)cn2)cc1 ZINC001235938589 1041445299 /nfs/dbraw/zinc/44/52/99/1041445299.db2.gz LLYZZCCIIXPUCG-IRXDYDNUSA-N 2 1 377.410 3.689 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)s2)cc1 ZINC001235941252 1041448368 /nfs/dbraw/zinc/44/83/68/1041448368.db2.gz VEJINJUELJJCLB-KBPBESRZSA-N 2 1 378.339 3.614 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)s2)cc1 ZINC001235941252 1041448398 /nfs/dbraw/zinc/44/83/98/1041448398.db2.gz VEJINJUELJJCLB-KBPBESRZSA-N 2 1 378.339 3.614 20 0 GHADMP Cc1ccc([C@@]2(C)C[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CCO2)cc1 ZINC001235948282 1041452855 /nfs/dbraw/zinc/45/28/55/1041452855.db2.gz LHIYJVDLFHJZKG-XMMPIXPASA-N 2 1 375.516 3.801 20 0 GHADMP COCC[N@H+](Cc1cc(Br)c2ccccc2c1)C1CC[NH2+]CC1 ZINC001235949105 1041453926 /nfs/dbraw/zinc/45/39/26/1041453926.db2.gz XSQOBLWMGSMFFN-UHFFFAOYSA-N 2 1 377.326 3.803 20 0 GHADMP COCC[N@@H+](Cc1cc(Br)c2ccccc2c1)C1CC[NH2+]CC1 ZINC001235949105 1041453945 /nfs/dbraw/zinc/45/39/45/1041453945.db2.gz XSQOBLWMGSMFFN-UHFFFAOYSA-N 2 1 377.326 3.803 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001235962105 1041469528 /nfs/dbraw/zinc/46/95/28/1041469528.db2.gz IQDBBNLKNXEIBH-NRFANRHFSA-N 2 1 389.540 3.805 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001235962105 1041469536 /nfs/dbraw/zinc/46/95/36/1041469536.db2.gz IQDBBNLKNXEIBH-NRFANRHFSA-N 2 1 389.540 3.805 20 0 GHADMP CC1(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC[NH2+]CC1 ZINC001235962783 1041469748 /nfs/dbraw/zinc/46/97/48/1041469748.db2.gz QBUYCAUHKUEWDB-QFIPXVFZSA-N 2 1 378.516 3.546 20 0 GHADMP CC1(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC[NH2+]CC1 ZINC001235962783 1041469762 /nfs/dbraw/zinc/46/97/62/1041469762.db2.gz QBUYCAUHKUEWDB-QFIPXVFZSA-N 2 1 378.516 3.546 20 0 GHADMP Cc1c(Br)cncc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235979462 1041483394 /nfs/dbraw/zinc/48/33/94/1041483394.db2.gz ZYHYXRNHTQITHT-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1c(Br)cncc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235979462 1041483416 /nfs/dbraw/zinc/48/34/16/1041483416.db2.gz ZYHYXRNHTQITHT-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CCN(c3ncccn3)CC2)CC1 ZINC001256054284 1041497324 /nfs/dbraw/zinc/49/73/24/1041497324.db2.gz QJJXMFQINXZJGD-MXVIHJGJSA-N 2 1 399.970 3.871 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)C1 ZINC001256076264 1041510093 /nfs/dbraw/zinc/51/00/93/1041510093.db2.gz XDIJPJOLIPXRGM-UHFFFAOYSA-N 2 1 377.573 3.726 20 0 GHADMP CCC[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001236089746 1041527123 /nfs/dbraw/zinc/52/71/23/1041527123.db2.gz XHXLRKGMLHZCCU-FQEVSTJZSA-N 2 1 394.563 3.644 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC001256127744 1041558305 /nfs/dbraw/zinc/55/83/05/1041558305.db2.gz MXDJIHCOCIHRNH-MRXNPFEDSA-N 3 1 396.417 3.782 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001236145983 1041568612 /nfs/dbraw/zinc/56/86/12/1041568612.db2.gz SKTROTOPDXMGCK-HXUWFJFHSA-N 2 1 399.604 3.889 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001236145983 1041568625 /nfs/dbraw/zinc/56/86/25/1041568625.db2.gz SKTROTOPDXMGCK-HXUWFJFHSA-N 2 1 399.604 3.889 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2cc3c(s2)C[NH2+]CC3)cc1 ZINC001236145983 1041568638 /nfs/dbraw/zinc/56/86/38/1041568638.db2.gz SKTROTOPDXMGCK-HXUWFJFHSA-N 2 1 399.604 3.889 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)CCN1c1cc[nH+]cc1 ZINC001462550848 1070354841 /nfs/dbraw/zinc/35/48/41/1070354841.db2.gz RDVYZCBRODGAIZ-GOSISDBHSA-N 2 1 396.535 3.817 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)ccc1OC ZINC001236229113 1041633458 /nfs/dbraw/zinc/63/34/58/1041633458.db2.gz ZQRIUTQHIGOPPY-UHFFFAOYSA-N 2 1 382.504 3.754 20 0 GHADMP c1c(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238498 1041638640 /nfs/dbraw/zinc/63/86/40/1041638640.db2.gz ATQQKMOCGLQVCU-QHCPKHFHSA-N 2 1 381.589 3.882 20 0 GHADMP c1c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238498 1041638652 /nfs/dbraw/zinc/63/86/52/1041638652.db2.gz ATQQKMOCGLQVCU-QHCPKHFHSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238498 1041638658 /nfs/dbraw/zinc/63/86/58/1041638658.db2.gz ATQQKMOCGLQVCU-QHCPKHFHSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238498 1041638676 /nfs/dbraw/zinc/63/86/76/1041638676.db2.gz ATQQKMOCGLQVCU-QHCPKHFHSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238498 1041638697 /nfs/dbraw/zinc/63/86/97/1041638697.db2.gz ATQQKMOCGLQVCU-QHCPKHFHSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238495 1041639009 /nfs/dbraw/zinc/63/90/09/1041639009.db2.gz ATQQKMOCGLQVCU-HSZRJFAPSA-N 2 1 381.589 3.882 20 0 GHADMP c1c(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238495 1041639037 /nfs/dbraw/zinc/63/90/37/1041639037.db2.gz ATQQKMOCGLQVCU-HSZRJFAPSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238495 1041639050 /nfs/dbraw/zinc/63/90/50/1041639050.db2.gz ATQQKMOCGLQVCU-HSZRJFAPSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238495 1041639061 /nfs/dbraw/zinc/63/90/61/1041639061.db2.gz ATQQKMOCGLQVCU-HSZRJFAPSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)sc2c1CC[NH2+]C2 ZINC001236238495 1041639071 /nfs/dbraw/zinc/63/90/71/1041639071.db2.gz ATQQKMOCGLQVCU-HSZRJFAPSA-N 3 1 381.589 3.882 20 0 GHADMP O=C1C[C@@H]([N@@H+](CCC2CC[NH2+]CC2)Cc2ccccc2)CN1Cc1ccccc1 ZINC001236318077 1041668527 /nfs/dbraw/zinc/66/85/27/1041668527.db2.gz ZPHUFCZEYUCFBW-XMMPIXPASA-N 2 1 391.559 3.679 20 0 GHADMP CSc1ncc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(Cl)n1 ZINC001236379913 1041690564 /nfs/dbraw/zinc/69/05/64/1041690564.db2.gz BLYUTHYVIWQXRD-UHFFFAOYSA-N 2 1 394.947 3.993 20 0 GHADMP CSc1ncc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(Cl)n1 ZINC001236379913 1041690567 /nfs/dbraw/zinc/69/05/67/1041690567.db2.gz BLYUTHYVIWQXRD-UHFFFAOYSA-N 2 1 394.947 3.993 20 0 GHADMP Fc1ccc(CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388130 1041694536 /nfs/dbraw/zinc/69/45/36/1041694536.db2.gz IMXJKXXRYAUZPX-LADGPHEKSA-N 2 1 381.539 3.902 20 0 GHADMP CC[N@@H+](Cc1cc(OC)c(OC)cc1OCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236407113 1041703971 /nfs/dbraw/zinc/70/39/71/1041703971.db2.gz CAMHHKUIBSWTJT-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OC)cc1OCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001236407113 1041703972 /nfs/dbraw/zinc/70/39/72/1041703972.db2.gz CAMHHKUIBSWTJT-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001278930577 1041704393 /nfs/dbraw/zinc/70/43/93/1041704393.db2.gz OKKVZQCREOXWTL-SFHVURJKSA-N 2 1 377.330 3.633 20 0 GHADMP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001278930577 1041704402 /nfs/dbraw/zinc/70/44/02/1041704402.db2.gz OKKVZQCREOXWTL-SFHVURJKSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001278930577 1041704406 /nfs/dbraw/zinc/70/44/06/1041704406.db2.gz OKKVZQCREOXWTL-SFHVURJKSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001278930577 1041704412 /nfs/dbraw/zinc/70/44/12/1041704412.db2.gz OKKVZQCREOXWTL-SFHVURJKSA-N 2 1 377.330 3.633 20 0 GHADMP COc1ccc(C[N@@H+](CC2(c3ccccc3)CCOCC2)C2CC[NH2+]CC2)cc1 ZINC001236442172 1041714160 /nfs/dbraw/zinc/71/41/60/1041714160.db2.gz YUNPMMDGVPLREE-UHFFFAOYSA-N 2 1 394.559 3.998 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3occc32)C2CC[NH2+]CC2)c1 ZINC001236467853 1041729368 /nfs/dbraw/zinc/72/93/68/1041729368.db2.gz YKKADCZYSBSWER-UHFFFAOYSA-N 2 1 378.472 3.974 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3occc32)C2CC[NH2+]CC2)c1 ZINC001236467853 1041729372 /nfs/dbraw/zinc/72/93/72/1041729372.db2.gz YKKADCZYSBSWER-UHFFFAOYSA-N 2 1 378.472 3.974 20 0 GHADMP CCOC1CCC([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001256439058 1041732293 /nfs/dbraw/zinc/73/22/93/1041732293.db2.gz OEPYLHVHFQPBTP-ABZZFDDBSA-N 2 1 390.612 3.795 20 0 GHADMP CCOC1CCC([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001256439058 1041732298 /nfs/dbraw/zinc/73/22/98/1041732298.db2.gz OEPYLHVHFQPBTP-ABZZFDDBSA-N 2 1 390.612 3.795 20 0 GHADMP CCOC1CCC([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001256439058 1041732304 /nfs/dbraw/zinc/73/23/04/1041732304.db2.gz OEPYLHVHFQPBTP-ABZZFDDBSA-N 2 1 390.612 3.795 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)c1 ZINC001236510959 1041746492 /nfs/dbraw/zinc/74/64/92/1041746492.db2.gz GDGBCGOVWLLGGF-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)c1 ZINC001236510959 1041746499 /nfs/dbraw/zinc/74/64/99/1041746499.db2.gz GDGBCGOVWLLGGF-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1 ZINC001236522291 1041752245 /nfs/dbraw/zinc/75/22/45/1041752245.db2.gz LFXCNLXYXFLCBT-UHFFFAOYSA-N 2 1 398.522 3.994 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1 ZINC001236522291 1041752252 /nfs/dbraw/zinc/75/22/52/1041752252.db2.gz LFXCNLXYXFLCBT-UHFFFAOYSA-N 2 1 398.522 3.994 20 0 GHADMP COc1ccc(C[N@@H+](Cc2[nH]nc3ccc(F)cc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544437 1041757860 /nfs/dbraw/zinc/75/78/60/1041757860.db2.gz CFEFDJJVJRAWFJ-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc(C[N@H+](Cc2n[nH]c3ccc(F)cc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544437 1041757863 /nfs/dbraw/zinc/75/78/63/1041757863.db2.gz CFEFDJJVJRAWFJ-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc(C[N@@H+](Cc2n[nH]c3ccc(F)cc32)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544437 1041757866 /nfs/dbraw/zinc/75/78/66/1041757866.db2.gz CFEFDJJVJRAWFJ-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP CC(C)C[N@@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550307 1041758612 /nfs/dbraw/zinc/75/86/12/1041758612.db2.gz CFMNSGPGKFLGRL-WKILWMFISA-N 2 1 379.346 3.825 20 0 GHADMP COCCCOc1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236552979 1041759817 /nfs/dbraw/zinc/75/98/17/1041759817.db2.gz UVSOHEWWYMQDOP-MXVIHJGJSA-N 2 1 378.557 3.838 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236576355 1041766427 /nfs/dbraw/zinc/76/64/27/1041766427.db2.gz KKUQXGMJWUUABK-JCNLHEQBSA-N 2 1 395.341 3.860 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236573529 1041766532 /nfs/dbraw/zinc/76/65/32/1041766532.db2.gz ZENRQOBZVISKTO-JCNLHEQBSA-N 2 1 395.341 3.860 20 0 GHADMP Cc1cc(CN2CCC([NH+]3CCC([NH3+])CC3)CC2)ccc1OCc1ccccc1 ZINC001236583607 1041767790 /nfs/dbraw/zinc/76/77/90/1041767790.db2.gz QBNJYKHPIZGTFY-UHFFFAOYSA-N 2 1 393.575 3.962 20 0 GHADMP CCOC(=O)COc1cccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236694853 1041836586 /nfs/dbraw/zinc/83/65/86/1041836586.db2.gz SEADMQJGIRNMSR-HZCBDIJESA-N 2 1 396.531 3.901 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700568 1041840685 /nfs/dbraw/zinc/84/06/85/1041840685.db2.gz KXGOAQRQQOGZAQ-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP CCOc1ncc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236710992 1041848506 /nfs/dbraw/zinc/84/85/06/1041848506.db2.gz KFFSLBWGZMCWQG-WGSAOQKQSA-N 2 1 387.499 3.900 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cc(I)c[nH]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236780416 1041888120 /nfs/dbraw/zinc/88/81/20/1041888120.db2.gz RCSZPSWOVSAOBZ-CTYIDZIISA-N 2 1 389.325 3.737 20 0 GHADMP CCC[N@H+](Cc1cc(Cl)c(OC)c(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843441 1041925748 /nfs/dbraw/zinc/92/57/48/1041925748.db2.gz OFWATGRVGSTRCO-GFCCVEGCSA-N 2 1 375.738 3.933 20 0 GHADMP COc1ccc([C@H]2CSCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001236898474 1041945330 /nfs/dbraw/zinc/94/53/30/1041945330.db2.gz MJOGKQILGWKJCJ-HSZRJFAPSA-N 2 1 397.588 3.737 20 0 GHADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c2occc21 ZINC001236904788 1041949194 /nfs/dbraw/zinc/94/91/94/1041949194.db2.gz IDEZTQJOEOJOJL-XMSQKQJNSA-N 2 1 395.478 3.690 20 0 GHADMP COc1ccc(C2CC[NH+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CC2)cc1 ZINC001236964053 1041971310 /nfs/dbraw/zinc/97/13/10/1041971310.db2.gz PHMGUUKGKWIZPW-UHFFFAOYSA-N 2 1 397.538 3.966 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C2)c1 ZINC001237178113 1042079924 /nfs/dbraw/zinc/07/99/24/1042079924.db2.gz BWADQYYAQDMRKV-MRXNPFEDSA-N 2 1 393.350 3.810 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@@H]4Nc5ccc(Cl)cc5[C@@H]4C3)c2)CC1 ZINC001237252021 1042108896 /nfs/dbraw/zinc/10/88/96/1042108896.db2.gz ZLCVOTWTANXLJS-GMAHTHKFSA-N 2 1 396.966 3.875 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3Cc4ccccc4C34CC[NH2+]CC4)C2)cc1 ZINC001237304414 1042135049 /nfs/dbraw/zinc/13/50/49/1042135049.db2.gz ICXOHRYSTHFTPY-JOCHJYFZSA-N 2 1 375.560 3.993 20 0 GHADMP Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237321676 1042146124 /nfs/dbraw/zinc/14/61/24/1042146124.db2.gz ZBROMSLVSXFFRR-NFBKMPQASA-N 2 1 383.511 3.560 20 0 GHADMP Cc1cc(F)cc(C)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237321676 1042146128 /nfs/dbraw/zinc/14/61/28/1042146128.db2.gz ZBROMSLVSXFFRR-NFBKMPQASA-N 2 1 383.511 3.560 20 0 GHADMP Cc1cc(F)cc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237321676 1042146130 /nfs/dbraw/zinc/14/61/30/1042146130.db2.gz ZBROMSLVSXFFRR-NFBKMPQASA-N 2 1 383.511 3.560 20 0 GHADMP CCc1cccc(C)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237325549 1042149038 /nfs/dbraw/zinc/14/90/38/1042149038.db2.gz ATNWGVCZVKMBBE-ISKFKSNPSA-N 2 1 379.548 3.675 20 0 GHADMP CCc1cccc(C)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237325549 1042149041 /nfs/dbraw/zinc/14/90/41/1042149041.db2.gz ATNWGVCZVKMBBE-ISKFKSNPSA-N 2 1 379.548 3.675 20 0 GHADMP CCc1cccc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237325549 1042149047 /nfs/dbraw/zinc/14/90/47/1042149047.db2.gz ATNWGVCZVKMBBE-ISKFKSNPSA-N 2 1 379.548 3.675 20 0 GHADMP COc1c(C)cccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001237504279 1042240940 /nfs/dbraw/zinc/24/09/40/1042240940.db2.gz SJOWLVNOFVXNGU-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1c(C)cccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001237504279 1042240943 /nfs/dbraw/zinc/24/09/43/1042240943.db2.gz SJOWLVNOFVXNGU-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1c(C)cccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001237504279 1042240947 /nfs/dbraw/zinc/24/09/47/1042240947.db2.gz SJOWLVNOFVXNGU-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1c(C)cccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001237504279 1042240953 /nfs/dbraw/zinc/24/09/53/1042240953.db2.gz SJOWLVNOFVXNGU-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](CCCc1ccc(Cl)c(Cl)c1)C2 ZINC001278123157 1042289780 /nfs/dbraw/zinc/28/97/80/1042289780.db2.gz RGDRNXJHHCHOKR-UHFFFAOYSA-N 2 1 384.395 3.885 20 0 GHADMP Cc1ccnc2cccc(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)c12 ZINC001237625304 1042292310 /nfs/dbraw/zinc/29/23/10/1042292310.db2.gz GOZKNDFLMJDLDA-JTHBVZDNSA-N 2 1 379.548 3.866 20 0 GHADMP Cc1ccnc2cccc(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)c12 ZINC001237625304 1042292313 /nfs/dbraw/zinc/29/23/13/1042292313.db2.gz GOZKNDFLMJDLDA-JTHBVZDNSA-N 2 1 379.548 3.866 20 0 GHADMP Cc1ccnc2cccc(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)c12 ZINC001237625304 1042292318 /nfs/dbraw/zinc/29/23/18/1042292318.db2.gz GOZKNDFLMJDLDA-JTHBVZDNSA-N 2 1 379.548 3.866 20 0 GHADMP Cc1ccnc2cccc(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)c12 ZINC001237625304 1042292328 /nfs/dbraw/zinc/29/23/28/1042292328.db2.gz GOZKNDFLMJDLDA-JTHBVZDNSA-N 2 1 379.548 3.866 20 0 GHADMP c1cc2c(c(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)c1)OCC2 ZINC001237741108 1042348467 /nfs/dbraw/zinc/34/84/67/1042348467.db2.gz BLRSDHDEYPKGSJ-ZCYQVOJMSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)c1)OCC2 ZINC001237741108 1042348472 /nfs/dbraw/zinc/34/84/72/1042348472.db2.gz BLRSDHDEYPKGSJ-ZCYQVOJMSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)c1)OCC2 ZINC001237741108 1042348479 /nfs/dbraw/zinc/34/84/79/1042348479.db2.gz BLRSDHDEYPKGSJ-ZCYQVOJMSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)c1)OCC2 ZINC001237741108 1042348484 /nfs/dbraw/zinc/34/84/84/1042348484.db2.gz BLRSDHDEYPKGSJ-ZCYQVOJMSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c12 ZINC001240477089 1042935123 /nfs/dbraw/zinc/93/51/23/1042935123.db2.gz BBDPPXQAROAMFM-MZKRTTBSSA-N 2 1 388.515 3.875 20 0 GHADMP c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc12 ZINC001240477089 1042935128 /nfs/dbraw/zinc/93/51/28/1042935128.db2.gz BBDPPXQAROAMFM-MZKRTTBSSA-N 2 1 388.515 3.875 20 0 GHADMP C[NH+](C)CCOc1ccccc1-c1ccc(C2(N3CC[NH+](C)CC3)CC2)cc1 ZINC001240590011 1042944554 /nfs/dbraw/zinc/94/45/54/1042944554.db2.gz WRKXOVQMNCPNBH-UHFFFAOYSA-N 2 1 379.548 3.531 20 0 GHADMP CC(C)O[C@H]1C[C@@H](Nc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)C1(C)C ZINC001462670543 1070459429 /nfs/dbraw/zinc/45/94/29/1070459429.db2.gz YVBXDDWUPKSHTF-YADHBBJMSA-N 2 1 382.552 3.991 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256528873 1043457512 /nfs/dbraw/zinc/45/75/12/1043457512.db2.gz NDCTXUFYXQQNFG-VPJOFFEXSA-N 2 1 377.532 3.649 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256528873 1043457526 /nfs/dbraw/zinc/45/75/26/1043457526.db2.gz NDCTXUFYXQQNFG-VPJOFFEXSA-N 2 1 377.532 3.649 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534399 1043468913 /nfs/dbraw/zinc/46/89/13/1043468913.db2.gz QSBHATVWAPRRHB-ZTCOLXNVSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534399 1043468938 /nfs/dbraw/zinc/46/89/38/1043468938.db2.gz QSBHATVWAPRRHB-ZTCOLXNVSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534391 1043470545 /nfs/dbraw/zinc/47/05/45/1043470545.db2.gz QSBHATVWAPRRHB-HUVFLSCGSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534391 1043470558 /nfs/dbraw/zinc/47/05/58/1043470558.db2.gz QSBHATVWAPRRHB-HUVFLSCGSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542625 1043496323 /nfs/dbraw/zinc/49/63/23/1043496323.db2.gz PNHBUOWCGIDFHS-BDKRGJGYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542625 1043496327 /nfs/dbraw/zinc/49/63/27/1043496327.db2.gz PNHBUOWCGIDFHS-BDKRGJGYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542625 1043496335 /nfs/dbraw/zinc/49/63/35/1043496335.db2.gz PNHBUOWCGIDFHS-BDKRGJGYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542625 1043496339 /nfs/dbraw/zinc/49/63/39/1043496339.db2.gz PNHBUOWCGIDFHS-BDKRGJGYSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256546031 1043506349 /nfs/dbraw/zinc/50/63/49/1043506349.db2.gz JLPQBQSHYHUQPY-RBBKRZOGSA-N 2 1 395.595 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256546031 1043506362 /nfs/dbraw/zinc/50/63/62/1043506362.db2.gz JLPQBQSHYHUQPY-RBBKRZOGSA-N 2 1 395.595 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256546031 1043506366 /nfs/dbraw/zinc/50/63/66/1043506366.db2.gz JLPQBQSHYHUQPY-RBBKRZOGSA-N 2 1 395.595 3.592 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256548149 1043510195 /nfs/dbraw/zinc/51/01/95/1043510195.db2.gz XDHQELIAIRPQCV-FGCOXFRFSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256548149 1043510203 /nfs/dbraw/zinc/51/02/03/1043510203.db2.gz XDHQELIAIRPQCV-FGCOXFRFSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256548149 1043510211 /nfs/dbraw/zinc/51/02/11/1043510211.db2.gz XDHQELIAIRPQCV-FGCOXFRFSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256548149 1043510220 /nfs/dbraw/zinc/51/02/20/1043510220.db2.gz XDHQELIAIRPQCV-FGCOXFRFSA-N 2 1 383.580 3.907 20 0 GHADMP COc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256556982 1043526726 /nfs/dbraw/zinc/52/67/26/1043526726.db2.gz KANWQTGFIXKMMS-SIKLNZKXSA-N 2 1 394.563 3.702 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256557020 1043526851 /nfs/dbraw/zinc/52/68/51/1043526851.db2.gz KRRFVVPVOYADLV-CEWLAPEOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256557020 1043526861 /nfs/dbraw/zinc/52/68/61/1043526861.db2.gz KRRFVVPVOYADLV-CEWLAPEOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256557020 1043526870 /nfs/dbraw/zinc/52/68/70/1043526870.db2.gz KRRFVVPVOYADLV-CEWLAPEOSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256557020 1043526880 /nfs/dbraw/zinc/52/68/80/1043526880.db2.gz KRRFVVPVOYADLV-CEWLAPEOSA-N 2 1 381.520 3.596 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256559150 1043532636 /nfs/dbraw/zinc/53/26/36/1043532636.db2.gz YLOKURGSXWRKDM-XLIONFOSSA-N 2 1 384.499 3.512 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559150 1043532640 /nfs/dbraw/zinc/53/26/40/1043532640.db2.gz YLOKURGSXWRKDM-XLIONFOSSA-N 2 1 384.499 3.512 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001256604686 1043567696 /nfs/dbraw/zinc/56/76/96/1043567696.db2.gz PQRPGYLYDHRBPP-JWQCQUIFSA-N 2 1 393.575 3.530 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001256605991 1043568746 /nfs/dbraw/zinc/56/87/46/1043568746.db2.gz OFWKCMGELKIGJF-IRLDBZIGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001256605991 1043568761 /nfs/dbraw/zinc/56/87/61/1043568761.db2.gz OFWKCMGELKIGJF-IRLDBZIGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256606327 1043570440 /nfs/dbraw/zinc/57/04/40/1043570440.db2.gz TZDMRRICQWSQGH-RBBKRZOGSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256606327 1043570446 /nfs/dbraw/zinc/57/04/46/1043570446.db2.gz TZDMRRICQWSQGH-RBBKRZOGSA-N 2 1 399.579 3.982 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[N@H+](C4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001256606240 1043570645 /nfs/dbraw/zinc/57/06/45/1043570645.db2.gz SISFXFWWJQIGTP-OYRHEFFESA-N 2 1 381.589 3.776 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[N@@H+](C4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001256606240 1043570656 /nfs/dbraw/zinc/57/06/56/1043570656.db2.gz SISFXFWWJQIGTP-OYRHEFFESA-N 2 1 381.589 3.776 20 0 GHADMP c1csc(C[N@@H+]2C[C@@H]3C[NH+](C4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001256606240 1043570663 /nfs/dbraw/zinc/57/06/63/1043570663.db2.gz SISFXFWWJQIGTP-OYRHEFFESA-N 2 1 381.589 3.776 20 0 GHADMP c1csc(C[N@H+]2C[C@@H]3C[NH+](C4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001256606240 1043570666 /nfs/dbraw/zinc/57/06/66/1043570666.db2.gz SISFXFWWJQIGTP-OYRHEFFESA-N 2 1 381.589 3.776 20 0 GHADMP C[C@H](Cc1ccncc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001256744809 1043645311 /nfs/dbraw/zinc/64/53/11/1043645311.db2.gz ZFDYJWFAMNRSPF-OFNKIYASSA-N 2 1 379.548 3.768 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001292262302 1043654714 /nfs/dbraw/zinc/65/47/14/1043654714.db2.gz VDYXCKBOSOHLNQ-DHIUTWEWSA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001292262302 1043654725 /nfs/dbraw/zinc/65/47/25/1043654725.db2.gz VDYXCKBOSOHLNQ-DHIUTWEWSA-N 2 1 397.538 3.908 20 0 GHADMP Fc1cccc(CN2CC[C@@]23CCC[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)c1 ZINC001256858584 1043706425 /nfs/dbraw/zinc/70/64/25/1043706425.db2.gz JKAVECRFNJQWPE-XMMPIXPASA-N 2 1 394.538 3.930 20 0 GHADMP C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256857160 1043706648 /nfs/dbraw/zinc/70/66/48/1043706648.db2.gz PCPZTAKIDNTZJQ-ZWKOTPCHSA-N 2 1 388.556 3.676 20 0 GHADMP c1sc([C@H]2C[C@H]3C[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@H]3O2)nc1C1CC1 ZINC001256857345 1043706688 /nfs/dbraw/zinc/70/66/88/1043706688.db2.gz RNOYJEVCRYMBAP-ZLGUVYLKSA-N 2 1 396.560 3.846 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CC[NH+](C4CCN(c5cc[nH+]cc5)CC4)C[C@@H]3C2)cc1 ZINC001256864960 1043709688 /nfs/dbraw/zinc/70/96/88/1043709688.db2.gz OEGAVQVMGCMXBH-YADHBBJMSA-N 3 1 376.548 3.504 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@@H]3C2)cc1 ZINC001256864960 1043709697 /nfs/dbraw/zinc/70/96/97/1043709697.db2.gz OEGAVQVMGCMXBH-YADHBBJMSA-N 3 1 376.548 3.504 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@@H]3C2)cc1 ZINC001256864960 1043709708 /nfs/dbraw/zinc/70/97/08/1043709708.db2.gz OEGAVQVMGCMXBH-YADHBBJMSA-N 3 1 376.548 3.504 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900197 1043729929 /nfs/dbraw/zinc/72/99/29/1043729929.db2.gz JISXDPYHNBATNP-CTNGQTDRSA-N 2 1 383.536 3.654 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900197 1043729940 /nfs/dbraw/zinc/72/99/40/1043729940.db2.gz JISXDPYHNBATNP-CTNGQTDRSA-N 2 1 383.536 3.654 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C(=[NH2+])N[C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256901185 1043730726 /nfs/dbraw/zinc/73/07/26/1043730726.db2.gz DVNCZDGGRYOVIN-KRWDZBQOSA-N 2 1 378.561 3.607 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256906388 1043732728 /nfs/dbraw/zinc/73/27/28/1043732728.db2.gz AXPBTJVFYMSROC-OAQYLSRUSA-N 2 1 387.543 3.675 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256906388 1043732740 /nfs/dbraw/zinc/73/27/40/1043732740.db2.gz AXPBTJVFYMSROC-OAQYLSRUSA-N 2 1 387.543 3.675 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257153249 1043901785 /nfs/dbraw/zinc/90/17/85/1043901785.db2.gz DNIPKJXYFGNSAV-YYWHXJBOSA-N 2 1 388.552 3.545 20 0 GHADMP CC(C)[C@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001257205434 1043935725 /nfs/dbraw/zinc/93/57/25/1043935725.db2.gz NRFSPORQYRTCLG-QZTJIDSGSA-N 2 1 376.545 3.947 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001257215438 1043940371 /nfs/dbraw/zinc/94/03/71/1043940371.db2.gz CLXNLFCPJIQKQN-NRFANRHFSA-N 2 1 375.582 3.549 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001257215438 1043940379 /nfs/dbraw/zinc/94/03/79/1043940379.db2.gz CLXNLFCPJIQKQN-NRFANRHFSA-N 2 1 375.582 3.549 20 0 GHADMP CCC[C@@H](C)[NH+]1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001257322464 1043964844 /nfs/dbraw/zinc/96/48/44/1043964844.db2.gz VAYXOGSMJWGQPN-RTWAWAEBSA-N 2 1 397.607 3.860 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC(N1CC3(C1)CC[N@@H+](CC1CC1)C3)CC2 ZINC001257759454 1044147806 /nfs/dbraw/zinc/14/78/06/1044147806.db2.gz GDLKLZGCKVITLH-UHFFFAOYSA-N 2 1 389.584 3.584 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC([NH+]1CC3(C1)CC[N@H+](CC1CC1)C3)CC2 ZINC001257759454 1044147809 /nfs/dbraw/zinc/14/78/09/1044147809.db2.gz GDLKLZGCKVITLH-UHFFFAOYSA-N 2 1 389.584 3.584 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769869 1044159564 /nfs/dbraw/zinc/15/95/64/1044159564.db2.gz LPPMGPKGIPLRBM-NHFHJCFSSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769869 1044159576 /nfs/dbraw/zinc/15/95/76/1044159576.db2.gz LPPMGPKGIPLRBM-NHFHJCFSSA-N 2 1 379.589 3.876 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC1 ZINC001258008422 1044335611 /nfs/dbraw/zinc/33/56/11/1044335611.db2.gz RORIICCYFNSTNO-UHFFFAOYSA-N 2 1 381.499 3.745 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258012930 1044339540 /nfs/dbraw/zinc/33/95/40/1044339540.db2.gz IWXBIJWPEDDEMZ-QFIPXVFZSA-N 2 1 379.589 3.830 20 0 GHADMP Cc1cccc(CN2CC[C@]3(CC[N@H+](C4CC[NH+](CC(C)C)CC4)C3)C2=O)c1 ZINC001258015612 1044343760 /nfs/dbraw/zinc/34/37/60/1044343760.db2.gz YOHLLTFYMVFLJT-XMMPIXPASA-N 2 1 383.580 3.540 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258063255 1044377162 /nfs/dbraw/zinc/37/71/62/1044377162.db2.gz FHLCQGCJWZVJTD-MXZFZVOGSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258063255 1044377180 /nfs/dbraw/zinc/37/71/80/1044377180.db2.gz FHLCQGCJWZVJTD-MXZFZVOGSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001258063255 1044377195 /nfs/dbraw/zinc/37/71/95/1044377195.db2.gz FHLCQGCJWZVJTD-MXZFZVOGSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001258063255 1044377209 /nfs/dbraw/zinc/37/72/09/1044377209.db2.gz FHLCQGCJWZVJTD-MXZFZVOGSA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258066540 1044377541 /nfs/dbraw/zinc/37/75/41/1044377541.db2.gz REBFFOYPWMRWJA-WBADGQHESA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258066540 1044377555 /nfs/dbraw/zinc/37/75/55/1044377555.db2.gz REBFFOYPWMRWJA-WBADGQHESA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258066540 1044377569 /nfs/dbraw/zinc/37/75/69/1044377569.db2.gz REBFFOYPWMRWJA-WBADGQHESA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258131402 1044416030 /nfs/dbraw/zinc/41/60/30/1044416030.db2.gz IKLKZUXNJXPBMX-HSZRJFAPSA-N 2 1 387.568 3.683 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145182 1044433390 /nfs/dbraw/zinc/43/33/90/1044433390.db2.gz GKPWMDAJWQKYQE-JOCHJYFZSA-N 2 1 377.576 3.900 20 0 GHADMP CSc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c(Cl)n1 ZINC001279100301 1044565062 /nfs/dbraw/zinc/56/50/62/1044565062.db2.gz PQUDKZWZJUKASR-GASCZTMLSA-N 2 1 380.989 3.938 20 0 GHADMP CSc1ncc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c(Cl)n1 ZINC001279100301 1044565079 /nfs/dbraw/zinc/56/50/79/1044565079.db2.gz PQUDKZWZJUKASR-GASCZTMLSA-N 2 1 380.989 3.938 20 0 GHADMP CSc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c(Cl)n1 ZINC001279100301 1044565096 /nfs/dbraw/zinc/56/50/96/1044565096.db2.gz PQUDKZWZJUKASR-GASCZTMLSA-N 2 1 380.989 3.938 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001294304691 1044576927 /nfs/dbraw/zinc/57/69/27/1044576927.db2.gz PECVHJUBGJWQHO-AUSIDOKSSA-N 2 1 379.548 3.574 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)cc1 ZINC001258505940 1044584795 /nfs/dbraw/zinc/58/47/95/1044584795.db2.gz XXUHCDRZRMJVTD-UHFFFAOYSA-N 2 1 393.575 3.961 20 0 GHADMP CCCCC[C@H](CCC)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258669459 1044703898 /nfs/dbraw/zinc/70/38/98/1044703898.db2.gz OFYZSRGHOIJBDK-FQEVSTJZSA-N 2 1 391.604 3.845 20 0 GHADMP CCC[NH+]1CCC([N@H+](CCCOC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258775274 1044759765 /nfs/dbraw/zinc/75/97/65/1044759765.db2.gz IEOXYBFWICFLIF-HXUWFJFHSA-N 2 1 397.604 3.599 20 0 GHADMP CCC[NH+]1CCC([N@@H+](CCCOC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258775274 1044759781 /nfs/dbraw/zinc/75/97/81/1044759781.db2.gz IEOXYBFWICFLIF-HXUWFJFHSA-N 2 1 397.604 3.599 20 0 GHADMP CC(C)C1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC1 ZINC001258803929 1044770506 /nfs/dbraw/zinc/77/05/06/1044770506.db2.gz HWIPDJYAUVZKCP-MIXMMPKYSA-N 2 1 385.600 3.668 20 0 GHADMP CC(C)C1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC1 ZINC001258803929 1044770524 /nfs/dbraw/zinc/77/05/24/1044770524.db2.gz HWIPDJYAUVZKCP-MIXMMPKYSA-N 2 1 385.600 3.668 20 0 GHADMP CC(C)C1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001258803929 1044770535 /nfs/dbraw/zinc/77/05/35/1044770535.db2.gz HWIPDJYAUVZKCP-MIXMMPKYSA-N 2 1 385.600 3.668 20 0 GHADMP CC(C)C1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC1 ZINC001258803929 1044770546 /nfs/dbraw/zinc/77/05/46/1044770546.db2.gz HWIPDJYAUVZKCP-MIXMMPKYSA-N 2 1 385.600 3.668 20 0 GHADMP CC(C)CC(CC(C)C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258831728 1044777905 /nfs/dbraw/zinc/77/79/05/1044777905.db2.gz LFPAKXXMXGJKPG-QUCCMNQESA-N 2 1 381.605 3.978 20 0 GHADMP CC(C)CC(CC(C)C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258831728 1044777924 /nfs/dbraw/zinc/77/79/24/1044777924.db2.gz LFPAKXXMXGJKPG-QUCCMNQESA-N 2 1 381.605 3.978 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)CCO1 ZINC000662321891 1045081856 /nfs/dbraw/zinc/08/18/56/1045081856.db2.gz FSOMMIXVHPUTHJ-RTWAWAEBSA-N 2 1 380.960 3.850 20 0 GHADMP CC[N@@H+](CC(=O)N1CC[NH+](CCCc2ccccc2)C[C@H]1CC(C)C)C1CC1 ZINC001298378066 1045791757 /nfs/dbraw/zinc/79/17/57/1045791757.db2.gz CLIDSKFCYZALOT-HSZRJFAPSA-N 2 1 385.596 3.662 20 0 GHADMP CC[NH+](CC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C)C1CC1 ZINC001298378066 1045791770 /nfs/dbraw/zinc/79/17/70/1045791770.db2.gz CLIDSKFCYZALOT-HSZRJFAPSA-N 2 1 385.596 3.662 20 0 GHADMP CC[NH+](CC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C)C1CC1 ZINC001298378066 1045791781 /nfs/dbraw/zinc/79/17/81/1045791781.db2.gz CLIDSKFCYZALOT-HSZRJFAPSA-N 2 1 385.596 3.662 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001302479820 1046951061 /nfs/dbraw/zinc/95/10/61/1046951061.db2.gz YFRFVXHOYJVXIP-PKTZIBPZSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001302853289 1047144419 /nfs/dbraw/zinc/14/44/19/1047144419.db2.gz UAXRJRUNTZMGIC-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@H+]1C1CCCC1 ZINC001303541118 1047420764 /nfs/dbraw/zinc/42/07/64/1047420764.db2.gz WSGQOGQKZBYXCA-ICSRJNTNSA-N 2 1 387.543 3.513 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC[NH+]1C1CCCC1 ZINC001303541118 1047420766 /nfs/dbraw/zinc/42/07/66/1047420766.db2.gz WSGQOGQKZBYXCA-ICSRJNTNSA-N 2 1 387.543 3.513 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[NH+]1C1CCCC1 ZINC001303541118 1047420769 /nfs/dbraw/zinc/42/07/69/1047420769.db2.gz WSGQOGQKZBYXCA-ICSRJNTNSA-N 2 1 387.543 3.513 20 0 GHADMP C[N@@H+]1CCCC[C@H]1C(=O)N[C@]1(C)C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218371 1047618203 /nfs/dbraw/zinc/61/82/03/1047618203.db2.gz NIBAIAMPTMDFTR-SONWIMMPSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CCCC[C@H]1C(=O)N[C@]1(C)C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218371 1047618207 /nfs/dbraw/zinc/61/82/07/1047618207.db2.gz NIBAIAMPTMDFTR-SONWIMMPSA-N 2 1 391.559 3.645 20 0 GHADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218371 1047618209 /nfs/dbraw/zinc/61/82/09/1047618209.db2.gz NIBAIAMPTMDFTR-SONWIMMPSA-N 2 1 391.559 3.645 20 0 GHADMP C[NH+]1CCCC[C@H]1C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218371 1047618210 /nfs/dbraw/zinc/61/82/10/1047618210.db2.gz NIBAIAMPTMDFTR-SONWIMMPSA-N 2 1 391.559 3.645 20 0 GHADMP COC1CCC(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4scnc4C)C3)C2)CC1 ZINC001279266096 1047751801 /nfs/dbraw/zinc/75/18/01/1047751801.db2.gz RWLBVKMZWPQKLQ-GRERDSQWSA-N 2 1 377.598 3.945 20 0 GHADMP COC1CCC(C[N@H+]2CCC[C@]3(CC[NH+](Cc4scnc4C)C3)C2)CC1 ZINC001279266096 1047751804 /nfs/dbraw/zinc/75/18/04/1047751804.db2.gz RWLBVKMZWPQKLQ-GRERDSQWSA-N 2 1 377.598 3.945 20 0 GHADMP COC1CCC(C[NH+]2CCC[C@]3(CC[N@H+](Cc4scnc4C)C3)C2)CC1 ZINC001279266096 1047751807 /nfs/dbraw/zinc/75/18/07/1047751807.db2.gz RWLBVKMZWPQKLQ-GRERDSQWSA-N 2 1 377.598 3.945 20 0 GHADMP COC1CCC(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4scnc4C)C3)C2)CC1 ZINC001279266096 1047751809 /nfs/dbraw/zinc/75/18/09/1047751809.db2.gz RWLBVKMZWPQKLQ-GRERDSQWSA-N 2 1 377.598 3.945 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC2(C1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC001279275519 1047753608 /nfs/dbraw/zinc/75/36/08/1047753608.db2.gz SBQKZNWAWHENHG-UHFFFAOYSA-N 2 1 375.523 3.993 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CCC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001279275519 1047753610 /nfs/dbraw/zinc/75/36/10/1047753610.db2.gz SBQKZNWAWHENHG-UHFFFAOYSA-N 3 1 375.523 3.993 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001279275519 1047753613 /nfs/dbraw/zinc/75/36/13/1047753613.db2.gz SBQKZNWAWHENHG-UHFFFAOYSA-N 3 1 375.523 3.993 20 0 GHADMP Cc1cc(Cl)c(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)c(Cl)c1 ZINC001279340371 1047773499 /nfs/dbraw/zinc/77/34/99/1047773499.db2.gz IVTQBDDFKWOMPE-UHFFFAOYSA-N 2 1 398.378 3.678 20 0 GHADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3sccc3Cl)C[C@H]2CC1 ZINC001279371217 1047783696 /nfs/dbraw/zinc/78/36/96/1047783696.db2.gz AZVCHLLYRDODBD-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3sccc3Cl)C[C@H]2CC1 ZINC001279371217 1047783698 /nfs/dbraw/zinc/78/36/98/1047783698.db2.gz AZVCHLLYRDODBD-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3sccc3Cl)C[C@H]2CC1 ZINC001279371217 1047783702 /nfs/dbraw/zinc/78/37/02/1047783702.db2.gz AZVCHLLYRDODBD-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4scnc4Cl)CC3)C2)n(C)n1 ZINC001279424405 1047801887 /nfs/dbraw/zinc/80/18/87/1047801887.db2.gz WWDKCLGNZPBJLH-UHFFFAOYSA-N 2 1 393.988 3.717 20 0 GHADMP Cc1cc(C[N@H+]2CCCC3(CC[NH+](Cc4scnc4Cl)CC3)C2)n(C)n1 ZINC001279424405 1047801893 /nfs/dbraw/zinc/80/18/93/1047801893.db2.gz WWDKCLGNZPBJLH-UHFFFAOYSA-N 2 1 393.988 3.717 20 0 GHADMP Cc1ncsc1CN[C@@]12CC[C@@]([NH2+]CC3(C)CC[NH+](C)CC3)(C1)CCC2 ZINC001279477152 1047819297 /nfs/dbraw/zinc/81/92/97/1047819297.db2.gz IARUIVWANGOINZ-LEWJYISDSA-N 2 1 376.614 3.708 20 0 GHADMP C[N@H+]1CCC[C@H](CN2CCC3(CCC[NH+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047825969 /nfs/dbraw/zinc/82/59/69/1047825969.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@H](CN2CCC3(CCC[N@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047825975 /nfs/dbraw/zinc/82/59/75/1047825975.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@H](CN2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047825981 /nfs/dbraw/zinc/82/59/81/1047825981.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 2 1 375.523 3.849 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCC3(CCC[NH+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047825988 /nfs/dbraw/zinc/82/59/88/1047825988.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 3 1 375.523 3.849 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CCC[NH+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047825994 /nfs/dbraw/zinc/82/59/94/1047825994.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@H](C[NH+]2CCC3(CCC[N@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047825998 /nfs/dbraw/zinc/82/59/98/1047825998.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@H](C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047826005 /nfs/dbraw/zinc/82/60/05/1047826005.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 3 1 375.523 3.849 20 0 GHADMP CN1CCC[C@H](C[NH+]2CCC3(CCC[N@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047826009 /nfs/dbraw/zinc/82/60/09/1047826009.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 2 1 375.523 3.849 20 0 GHADMP CN1CCC[C@H](C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502583 1047826016 /nfs/dbraw/zinc/82/60/16/1047826016.db2.gz UKYKWSXFZWGWRU-SFHVURJKSA-N 2 1 375.523 3.849 20 0 GHADMP Brc1ccc(CC[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001279602082 1047864492 /nfs/dbraw/zinc/86/44/92/1047864492.db2.gz IICFCPBFTFCPKZ-UHFFFAOYSA-N 2 1 388.353 3.918 20 0 GHADMP Oc1cc(Br)cc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c1 ZINC001279679335 1047911958 /nfs/dbraw/zinc/91/19/58/1047911958.db2.gz VTRIVEKXOUAAET-UHFFFAOYSA-N 2 1 379.342 3.995 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(OC)c(OC)c3Br)(C1)CCC2 ZINC001279710532 1047929346 /nfs/dbraw/zinc/92/93/46/1047929346.db2.gz XRHVPWFOFRLHOV-ZWKOTPCHSA-N 2 1 383.330 3.621 20 0 GHADMP O=c1[nH]cc(Br)cc1C[NH+]1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001279712461 1047931271 /nfs/dbraw/zinc/93/12/71/1047931271.db2.gz ZWZXHRAAJDKKET-UHFFFAOYSA-N 2 1 394.357 3.780 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC001279772545 1047945823 /nfs/dbraw/zinc/94/58/23/1047945823.db2.gz TYEIEXWOMLPBGO-CTNGQTDRSA-N 2 1 377.598 3.541 20 0 GHADMP Cc1cc(I)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1C ZINC001280048047 1048063460 /nfs/dbraw/zinc/06/34/60/1048063460.db2.gz IZYMPSKSEFJNHF-UHFFFAOYSA-N 2 1 398.332 3.826 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+](CC)C1CC1 ZINC001305503790 1048095928 /nfs/dbraw/zinc/09/59/28/1048095928.db2.gz PPTDVZQABHKIHV-GOSISDBHSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+](CC)C1CC1 ZINC001305503790 1048095946 /nfs/dbraw/zinc/09/59/46/1048095946.db2.gz PPTDVZQABHKIHV-GOSISDBHSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+](CC)C1CC1 ZINC001305503790 1048095960 /nfs/dbraw/zinc/09/59/60/1048095960.db2.gz PPTDVZQABHKIHV-GOSISDBHSA-N 2 1 390.620 3.587 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)ccc3SC)C[C@H]2CC1 ZINC001280156080 1048108561 /nfs/dbraw/zinc/10/85/61/1048108561.db2.gz DTIIMAXDXNJTOO-CALCHBBNSA-N 2 1 399.000 3.826 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3SC)C[C@H]2CC1 ZINC001280156080 1048108570 /nfs/dbraw/zinc/10/85/70/1048108570.db2.gz DTIIMAXDXNJTOO-CALCHBBNSA-N 2 1 399.000 3.826 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3SC)C[C@H]2CC1 ZINC001280156080 1048108577 /nfs/dbraw/zinc/10/85/77/1048108577.db2.gz DTIIMAXDXNJTOO-CALCHBBNSA-N 2 1 399.000 3.826 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4nc(Br)sc4c3)C[C@H]2CC1 ZINC001280270417 1048153581 /nfs/dbraw/zinc/15/35/81/1048153581.db2.gz VNXVMFOXKNKIHU-OKILXGFUSA-N 2 1 380.355 3.832 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4nc(Br)sc4c3)C[C@H]2CC1 ZINC001280270417 1048153593 /nfs/dbraw/zinc/15/35/93/1048153593.db2.gz VNXVMFOXKNKIHU-OKILXGFUSA-N 2 1 380.355 3.832 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4nc(Br)sc4c3)C[C@H]2CC1 ZINC001280270417 1048153613 /nfs/dbraw/zinc/15/36/13/1048153613.db2.gz VNXVMFOXKNKIHU-OKILXGFUSA-N 2 1 380.355 3.832 20 0 GHADMP CCOc1c(Br)cc(C)cc1C[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001280311485 1048176539 /nfs/dbraw/zinc/17/65/39/1048176539.db2.gz HQIBZZQCPJHPAB-IYBDPMFKSA-N 2 1 381.358 3.930 20 0 GHADMP CCOc1c(Br)cc(C)cc1C[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001280311485 1048176545 /nfs/dbraw/zinc/17/65/45/1048176545.db2.gz HQIBZZQCPJHPAB-IYBDPMFKSA-N 2 1 381.358 3.930 20 0 GHADMP CCOc1c(Br)cc(C)cc1C[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001280311485 1048176550 /nfs/dbraw/zinc/17/65/50/1048176550.db2.gz HQIBZZQCPJHPAB-IYBDPMFKSA-N 2 1 381.358 3.930 20 0 GHADMP COC(=O)c1ccc(Br)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC001307454799 1049290290 /nfs/dbraw/zinc/29/02/90/1049290290.db2.gz GJVFJUASQZKAAH-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP Cc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c2ccccc2n1 ZINC001307458237 1049293468 /nfs/dbraw/zinc/29/34/68/1049293468.db2.gz DXUVOJDXNAFEKX-UHFFFAOYSA-N 2 1 388.559 3.793 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001307911418 1049688921 /nfs/dbraw/zinc/68/89/21/1049688921.db2.gz UDFDEWRWYHXJKW-UXHICEINSA-N 2 1 395.547 3.641 20 0 GHADMP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC001307963414 1049724993 /nfs/dbraw/zinc/72/49/93/1049724993.db2.gz XHYYKVIZSJVZGR-VQIMIIECSA-N 2 1 377.960 3.571 20 0 GHADMP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC001307963414 1049724999 /nfs/dbraw/zinc/72/49/99/1049724999.db2.gz XHYYKVIZSJVZGR-VQIMIIECSA-N 2 1 377.960 3.571 20 0 GHADMP C[NH+]1C[C@]2(C)C[NH+](CCCCOc3ccc(Br)cc3)C[C@@]2(C)C1 ZINC001307978076 1049735386 /nfs/dbraw/zinc/73/53/86/1049735386.db2.gz ILYMYEFBIUUKLC-RTBURBONSA-N 2 1 381.358 3.882 20 0 GHADMP CSCc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC001308182738 1049904333 /nfs/dbraw/zinc/90/43/33/1049904333.db2.gz UICXIUQNQLXAFA-IBGZPJMESA-N 2 1 375.607 3.689 20 0 GHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)c1 ZINC001308206314 1049912283 /nfs/dbraw/zinc/91/22/83/1049912283.db2.gz UDTGRTJPGKFHJE-UHFFFAOYSA-N 2 1 386.540 3.507 20 0 GHADMP COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1C ZINC001308459767 1049981010 /nfs/dbraw/zinc/98/10/10/1049981010.db2.gz XESQTUOXNOEASP-QFIPXVFZSA-N 2 1 382.548 3.615 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C)O[C@H](C)C2 ZINC001308488899 1049988079 /nfs/dbraw/zinc/98/80/79/1049988079.db2.gz SCMMAAJQRXYXRF-JBYIUTFZSA-N 2 1 380.532 3.876 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)O[C@H](C)C2 ZINC001308488899 1049988081 /nfs/dbraw/zinc/98/80/81/1049988081.db2.gz SCMMAAJQRXYXRF-JBYIUTFZSA-N 2 1 380.532 3.876 20 0 GHADMP CCN(Cc1ccc(C(=O)OC)cc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308577329 1050016085 /nfs/dbraw/zinc/01/60/85/1050016085.db2.gz YANITMYMIBPKHP-IBGZPJMESA-N 2 1 384.495 3.956 20 0 GHADMP CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308914813 1050164796 /nfs/dbraw/zinc/16/47/96/1050164796.db2.gz IGKSJQFXJLKOFY-KDURUIRLSA-N 2 1 398.595 3.786 20 0 GHADMP CCc1nn(C)c(CC)c1C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308914813 1050164800 /nfs/dbraw/zinc/16/48/00/1050164800.db2.gz IGKSJQFXJLKOFY-KDURUIRLSA-N 2 1 398.595 3.786 20 0 GHADMP CCc1nn(C)c(CC)c1C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001308914813 1050164804 /nfs/dbraw/zinc/16/48/04/1050164804.db2.gz IGKSJQFXJLKOFY-KDURUIRLSA-N 2 1 398.595 3.786 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(OCc2cccnc2)c1 ZINC001308978180 1050239077 /nfs/dbraw/zinc/23/90/77/1050239077.db2.gz QFGDLYMFUBJVQB-BVSLBCMMSA-N 2 1 395.547 3.831 20 0 GHADMP C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC001327888291 1050315023 /nfs/dbraw/zinc/31/50/23/1050315023.db2.gz UFJKPINJYZDCOG-JPTBMBCESA-N 2 1 383.580 3.950 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001328143641 1050411621 /nfs/dbraw/zinc/41/16/21/1050411621.db2.gz UEOJOWSWGQDZQJ-SFHVURJKSA-N 2 1 377.532 3.637 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC001311313452 1052012543 /nfs/dbraw/zinc/01/25/43/1052012543.db2.gz FUWCYALLWYNBPO-WIYYLYMNSA-N 2 1 390.572 3.601 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCCCC1 ZINC001311346036 1052042649 /nfs/dbraw/zinc/04/26/49/1052042649.db2.gz SLIBAHLKSBJRLX-HXUWFJFHSA-N 2 1 378.605 3.595 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001311572672 1052255616 /nfs/dbraw/zinc/25/56/16/1052255616.db2.gz SJXSYBHTTCOXEQ-CTNGQTDRSA-N 2 1 388.600 3.879 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001311594678 1052271882 /nfs/dbraw/zinc/27/18/82/1052271882.db2.gz JOXPEESGBDJNDS-HSZRJFAPSA-N 2 1 392.547 3.658 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001311594678 1052271889 /nfs/dbraw/zinc/27/18/89/1052271889.db2.gz JOXPEESGBDJNDS-HSZRJFAPSA-N 2 1 392.547 3.658 20 0 GHADMP CC[N@@H+](CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCCCC1 ZINC001311671419 1052318161 /nfs/dbraw/zinc/31/81/61/1052318161.db2.gz YRBZNXIXTVGMPW-VAMGGRTRSA-N 2 1 380.621 3.697 20 0 GHADMP CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC001312268523 1052670605 /nfs/dbraw/zinc/67/06/05/1052670605.db2.gz SUNIUHXBCDIJOU-ILWGZMRPSA-N 2 1 388.600 3.878 20 0 GHADMP CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC001312268522 1052670801 /nfs/dbraw/zinc/67/08/01/1052670801.db2.gz SUNIUHXBCDIJOU-HJNYFJLDSA-N 2 1 388.600 3.878 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001312443547 1052745630 /nfs/dbraw/zinc/74/56/30/1052745630.db2.gz ZBLPATFUWCSIHR-RBBKRZOGSA-N 2 1 384.568 3.517 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001312443547 1052745634 /nfs/dbraw/zinc/74/56/34/1052745634.db2.gz ZBLPATFUWCSIHR-RBBKRZOGSA-N 2 1 384.568 3.517 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001312443547 1052745637 /nfs/dbraw/zinc/74/56/37/1052745637.db2.gz ZBLPATFUWCSIHR-RBBKRZOGSA-N 2 1 384.568 3.517 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001312443547 1052745640 /nfs/dbraw/zinc/74/56/40/1052745640.db2.gz ZBLPATFUWCSIHR-RBBKRZOGSA-N 2 1 384.568 3.517 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCC1 ZINC001312712297 1052845500 /nfs/dbraw/zinc/84/55/00/1052845500.db2.gz PWFOQOYASLDCNS-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CCC1 ZINC001312712811 1052845719 /nfs/dbraw/zinc/84/57/19/1052845719.db2.gz DVRLBLHNQNNCET-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)[NH+](CC)CC)cc1 ZINC001312785230 1052869023 /nfs/dbraw/zinc/86/90/23/1052869023.db2.gz DWFQEJAEANSGDB-UNMCSNQZSA-N 2 1 388.600 3.663 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001312815596 1052879309 /nfs/dbraw/zinc/87/93/09/1052879309.db2.gz MDJWFBJVRYJASU-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC001313090273 1052954948 /nfs/dbraw/zinc/95/49/48/1052954948.db2.gz BMFGOZOVJBYFKH-UHFFFAOYSA-N 2 1 380.621 3.650 20 0 GHADMP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313138192 1052967098 /nfs/dbraw/zinc/96/70/98/1052967098.db2.gz HHHNMAYEQAWGML-XZOQPEGZSA-N 2 1 398.595 3.701 20 0 GHADMP CC[NH+](CC)C1CCN(c2nnc(C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001313691379 1053176067 /nfs/dbraw/zinc/17/60/67/1053176067.db2.gz KGXZUBAAOZQJLP-UHFFFAOYSA-N 2 1 390.620 3.552 20 0 GHADMP C[NH+]1CCC(C)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001343759619 1054003445 /nfs/dbraw/zinc/00/34/45/1054003445.db2.gz PGTBGRFMXQRJPR-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC001318083568 1054393200 /nfs/dbraw/zinc/39/32/00/1054393200.db2.gz CCUKTOLKVYKJDE-LEWJYISDSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001318701262 1054804844 /nfs/dbraw/zinc/80/48/44/1054804844.db2.gz PKPZQUWTNRJCDS-QIJUGHKUSA-N 2 1 386.584 3.733 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001318864625 1054922629 /nfs/dbraw/zinc/92/26/29/1054922629.db2.gz CIWOVVWQAKDTME-GOTSBHOMSA-N 2 1 383.580 3.540 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC001318864625 1054922633 /nfs/dbraw/zinc/92/26/33/1054922633.db2.gz CIWOVVWQAKDTME-GOTSBHOMSA-N 2 1 383.580 3.540 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC001318864625 1054922636 /nfs/dbraw/zinc/92/26/36/1054922636.db2.gz CIWOVVWQAKDTME-GOTSBHOMSA-N 2 1 383.580 3.540 20 0 GHADMP C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001345488203 1055059992 /nfs/dbraw/zinc/05/99/92/1055059992.db2.gz PTRCBFZYZDDWSA-HNNXBMFYSA-N 2 1 393.881 3.770 20 0 GHADMP C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001345488203 1055060005 /nfs/dbraw/zinc/06/00/05/1055060005.db2.gz PTRCBFZYZDDWSA-HNNXBMFYSA-N 2 1 393.881 3.770 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)cc2)C1 ZINC001320814225 1055972492 /nfs/dbraw/zinc/97/24/92/1055972492.db2.gz MUPKRVMIKRXYQM-KRWDZBQOSA-N 2 1 375.476 3.752 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)cc2)C1 ZINC001320814225 1055972495 /nfs/dbraw/zinc/97/24/95/1055972495.db2.gz MUPKRVMIKRXYQM-KRWDZBQOSA-N 2 1 375.476 3.752 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC001323193959 1056937226 /nfs/dbraw/zinc/93/72/26/1056937226.db2.gz UMOIUQYJTZVWQY-WMZOPIPTSA-N 2 1 390.572 3.797 20 0 GHADMP C[C@H](C[NH+]1CC[C@@H](Cc2nccs2)C1)C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC001355071474 1057040714 /nfs/dbraw/zinc/04/07/14/1057040714.db2.gz FMGCFOGDLHDJNW-BCDXTJNWSA-N 2 1 390.622 3.665 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H](Cc2nccs2)C1)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001355071474 1057040716 /nfs/dbraw/zinc/04/07/16/1057040716.db2.gz FMGCFOGDLHDJNW-BCDXTJNWSA-N 2 1 390.622 3.665 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H](Cc2nccs2)C1)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001355071474 1057040719 /nfs/dbraw/zinc/04/07/19/1057040719.db2.gz FMGCFOGDLHDJNW-BCDXTJNWSA-N 2 1 390.622 3.665 20 0 GHADMP [NH3+]C1(CC(=O)Nc2ccc(-c3ccon3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001355281147 1057104912 /nfs/dbraw/zinc/10/49/12/1057104912.db2.gz TXNQMIKLMOIBKY-UHFFFAOYSA-N 2 1 390.487 3.664 20 0 GHADMP CCN(Cc1ccc(/C=C\C(=O)OC)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848889046 1057398755 /nfs/dbraw/zinc/39/87/55/1057398755.db2.gz GLYWRKQRTFSGMO-ZCPJJFRWSA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@@H+](Cc1ccc(/C=C\C(=O)OC)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848889046 1057398765 /nfs/dbraw/zinc/39/87/65/1057398765.db2.gz GLYWRKQRTFSGMO-ZCPJJFRWSA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@H+](Cc1ccc(/C=C\C(=O)OC)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848889046 1057398769 /nfs/dbraw/zinc/39/87/69/1057398769.db2.gz GLYWRKQRTFSGMO-ZCPJJFRWSA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001326097101 1057413944 /nfs/dbraw/zinc/41/39/44/1057413944.db2.gz JZWNAMGUVFULBM-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001326097101 1057413948 /nfs/dbraw/zinc/41/39/48/1057413948.db2.gz JZWNAMGUVFULBM-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001326097101 1057413951 /nfs/dbraw/zinc/41/39/51/1057413951.db2.gz JZWNAMGUVFULBM-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP Cc1cc(NC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(C)[nH+]1 ZINC001326227362 1057437990 /nfs/dbraw/zinc/43/79/90/1057437990.db2.gz KOQAVAJYDKSASA-UHFFFAOYSA-N 2 1 378.520 3.640 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000849065829 1057576021 /nfs/dbraw/zinc/57/60/21/1057576021.db2.gz ANAYTQRPUDEWSG-MRXNPFEDSA-N 2 1 376.545 3.931 20 0 GHADMP C[C@]1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000849075879 1057583255 /nfs/dbraw/zinc/58/32/55/1057583255.db2.gz OEEXSYKMQIGPNT-NZQKXSOJSA-N 2 1 378.520 3.536 20 0 GHADMP C[C@@H](NC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1)c1ccc(Cl)cc1Cl ZINC000849096436 1057592881 /nfs/dbraw/zinc/59/28/81/1057592881.db2.gz FHTZPCNCFZCOSP-BDJLRTHQSA-N 2 1 375.369 3.606 20 0 GHADMP Cc1cccc(-c2nn(C[N@@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c(=S)n2C)c1 ZINC001337805475 1058271958 /nfs/dbraw/zinc/27/19/58/1058271958.db2.gz LFEHHNJSLUCQKT-OTWHNJEPSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1cccc(-c2nn(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c(=S)n2C)c1 ZINC001337805475 1058271972 /nfs/dbraw/zinc/27/19/72/1058271972.db2.gz LFEHHNJSLUCQKT-OTWHNJEPSA-N 2 1 385.581 3.546 20 0 GHADMP CC(C)CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC001443462363 1059134562 /nfs/dbraw/zinc/13/45/62/1059134562.db2.gz MIOPSKYJQSHQGG-QHCPKHFHSA-N 2 1 397.607 3.868 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001447506781 1059973827 /nfs/dbraw/zinc/97/38/27/1059973827.db2.gz AJANZPSCPPMLEM-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001447506781 1059973828 /nfs/dbraw/zinc/97/38/28/1059973828.db2.gz AJANZPSCPPMLEM-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001447506781 1059973829 /nfs/dbraw/zinc/97/38/29/1059973829.db2.gz AJANZPSCPPMLEM-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001447506781 1059973831 /nfs/dbraw/zinc/97/38/31/1059973831.db2.gz AJANZPSCPPMLEM-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448059689 1060093904 /nfs/dbraw/zinc/09/39/04/1060093904.db2.gz CLLYCHMWGBJNTF-ZWKOTPCHSA-N 2 1 385.474 3.545 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001342199428 1061127303 /nfs/dbraw/zinc/12/73/03/1061127303.db2.gz LHMKXFNHANYOIB-UHFFFAOYSA-N 2 1 395.528 3.549 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc2c(s1)C[NH2+]CC2 ZINC001342199428 1061127307 /nfs/dbraw/zinc/12/73/07/1061127307.db2.gz LHMKXFNHANYOIB-UHFFFAOYSA-N 2 1 395.528 3.549 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2cccs2)cc1 ZINC001346018299 1061293787 /nfs/dbraw/zinc/29/37/87/1061293787.db2.gz TWAOLCDQSCONNV-QFIPXVFZSA-N 2 1 397.588 3.728 20 0 GHADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001454009340 1061570965 /nfs/dbraw/zinc/57/09/65/1061570965.db2.gz JYYSSOYJFHARDE-ROUUACIJSA-N 2 1 385.474 3.689 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001454009340 1061570982 /nfs/dbraw/zinc/57/09/82/1061570982.db2.gz JYYSSOYJFHARDE-ROUUACIJSA-N 2 1 385.474 3.689 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CCCCC[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001454664619 1061905630 /nfs/dbraw/zinc/90/56/30/1061905630.db2.gz ANTIWKJQUCXTPF-ADHNFCLRSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001454664619 1061905638 /nfs/dbraw/zinc/90/56/38/1061905638.db2.gz ANTIWKJQUCXTPF-ADHNFCLRSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CCCCC[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001454664619 1061905647 /nfs/dbraw/zinc/90/56/47/1061905647.db2.gz ANTIWKJQUCXTPF-ADHNFCLRSA-N 2 1 383.580 3.668 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001455219464 1062055885 /nfs/dbraw/zinc/05/58/85/1062055885.db2.gz HJSHDQNUHHTYBR-QFIPXVFZSA-N 2 1 386.584 3.812 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001455219462 1062056692 /nfs/dbraw/zinc/05/66/92/1062056692.db2.gz HJSHDQNUHHTYBR-JOCHJYFZSA-N 2 1 386.584 3.812 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC001347157641 1062170820 /nfs/dbraw/zinc/17/08/20/1062170820.db2.gz PDMRUYZRHBAJBU-PKTZIBPZSA-N 2 1 393.531 3.649 20 0 GHADMP O=C(Nc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1)C1CC1 ZINC001347443240 1062388707 /nfs/dbraw/zinc/38/87/07/1062388707.db2.gz YBDCNAFFJCAUAI-UHFFFAOYSA-N 2 1 395.522 3.971 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001347512382 1062453541 /nfs/dbraw/zinc/45/35/41/1062453541.db2.gz CMBWHNPRDKJJIK-NOTZXAQLSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC001347514949 1062457586 /nfs/dbraw/zinc/45/75/86/1062457586.db2.gz NXYZXZSQAJUDJM-IEXKNLJHSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC001347514949 1062457602 /nfs/dbraw/zinc/45/76/02/1062457602.db2.gz NXYZXZSQAJUDJM-IEXKNLJHSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC001347514949 1062457640 /nfs/dbraw/zinc/45/76/40/1062457640.db2.gz NXYZXZSQAJUDJM-IEXKNLJHSA-N 2 1 398.595 3.696 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@]34C[NH+](C)C[C@@]3(C2)CCCC4)cc1 ZINC001457321631 1063087062 /nfs/dbraw/zinc/08/70/62/1063087062.db2.gz GQRIFJJQDKNGKW-PSWAGMNNSA-N 2 1 383.580 3.867 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1 ZINC001457321631 1063087093 /nfs/dbraw/zinc/08/70/93/1063087093.db2.gz GQRIFJJQDKNGKW-PSWAGMNNSA-N 2 1 383.580 3.867 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cc1 ZINC001457321631 1063087118 /nfs/dbraw/zinc/08/71/18/1063087118.db2.gz GQRIFJJQDKNGKW-PSWAGMNNSA-N 2 1 383.580 3.867 20 0 GHADMP c1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc(CN5CCOCC5)c4)C3)nc2c1 ZINC001348620310 1063241029 /nfs/dbraw/zinc/24/10/29/1063241029.db2.gz HPMUHHJRJXVXPO-OAQYLSRUSA-N 2 1 390.531 3.775 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC001459424608 1064096090 /nfs/dbraw/zinc/09/60/90/1064096090.db2.gz RNJCPQZGMSEGGJ-VIZSFHNOSA-N 2 1 379.548 3.501 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H](C)c1ccccc1 ZINC001459424608 1064096098 /nfs/dbraw/zinc/09/60/98/1064096098.db2.gz RNJCPQZGMSEGGJ-VIZSFHNOSA-N 2 1 379.548 3.501 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H](C)c1ccccc1 ZINC001459424608 1064096107 /nfs/dbraw/zinc/09/61/07/1064096107.db2.gz RNJCPQZGMSEGGJ-VIZSFHNOSA-N 2 1 379.548 3.501 20 0 GHADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617428 1064144915 /nfs/dbraw/zinc/14/49/15/1064144915.db2.gz BOFNFCXUNBOTOE-NOZRDPDXSA-N 2 1 378.560 3.849 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617428 1064144921 /nfs/dbraw/zinc/14/49/21/1064144921.db2.gz BOFNFCXUNBOTOE-NOZRDPDXSA-N 2 1 378.560 3.849 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617428 1064144929 /nfs/dbraw/zinc/14/49/29/1064144929.db2.gz BOFNFCXUNBOTOE-NOZRDPDXSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617428 1064144933 /nfs/dbraw/zinc/14/49/33/1064144933.db2.gz BOFNFCXUNBOTOE-NOZRDPDXSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617428 1064144937 /nfs/dbraw/zinc/14/49/37/1064144937.db2.gz BOFNFCXUNBOTOE-NOZRDPDXSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)cc1 ZINC001459874662 1064252399 /nfs/dbraw/zinc/25/23/99/1064252399.db2.gz AJVKUFAVYBCOGV-UHFFFAOYSA-N 2 1 395.591 3.836 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)cc1 ZINC001459874662 1064252409 /nfs/dbraw/zinc/25/24/09/1064252409.db2.gz AJVKUFAVYBCOGV-UHFFFAOYSA-N 2 1 395.591 3.836 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCC[C@@H]1C ZINC001459956116 1064301471 /nfs/dbraw/zinc/30/14/71/1064301471.db2.gz WSXILLGEGWABOS-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H]1CCCC[C@@H]1C ZINC001459956116 1064301478 /nfs/dbraw/zinc/30/14/78/1064301478.db2.gz WSXILLGEGWABOS-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H]1CCCC[C@@H]1C ZINC001459956116 1064301485 /nfs/dbraw/zinc/30/14/85/1064301485.db2.gz WSXILLGEGWABOS-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC001464693825 1065159983 /nfs/dbraw/zinc/15/99/83/1065159983.db2.gz JNBPSPIZUJQMGT-LPHOPBHVSA-N 2 1 399.501 3.841 20 0 GHADMP CC[N@@H+]1CC[C@@H]1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001464778521 1065206602 /nfs/dbraw/zinc/20/66/02/1065206602.db2.gz LMUVMGLWCVBXNA-JOCHJYFZSA-N 2 1 379.548 3.651 20 0 GHADMP CC[N@H+]1CC[C@@H]1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001464778521 1065206610 /nfs/dbraw/zinc/20/66/10/1065206610.db2.gz LMUVMGLWCVBXNA-JOCHJYFZSA-N 2 1 379.548 3.651 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)CC1 ZINC001464892543 1065262165 /nfs/dbraw/zinc/26/21/65/1065262165.db2.gz ITCNMRNEGFLZJA-DEOSSOPVSA-N 2 1 399.623 3.912 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC001464892543 1065262171 /nfs/dbraw/zinc/26/21/71/1065262171.db2.gz ITCNMRNEGFLZJA-DEOSSOPVSA-N 2 1 399.623 3.912 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001464892543 1065262181 /nfs/dbraw/zinc/26/21/81/1065262181.db2.gz ITCNMRNEGFLZJA-DEOSSOPVSA-N 2 1 399.623 3.912 20 0 GHADMP CCOCc1ccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001352838697 1065358125 /nfs/dbraw/zinc/35/81/25/1065358125.db2.gz FVKUPTVBHLZPHU-UHFFFAOYSA-N 2 1 381.520 3.545 20 0 GHADMP CC[C@H]1CCC[C@@]1(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001465616383 1065748307 /nfs/dbraw/zinc/74/83/07/1065748307.db2.gz ZMWGLSYSNXKRME-NZQKXSOJSA-N 2 1 377.617 3.858 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1(C)C ZINC001200314889 1065902092 /nfs/dbraw/zinc/90/20/92/1065902092.db2.gz ROMVTIIBKGQJLN-WOJBJXKFSA-N 2 1 394.003 3.954 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)[nH+]1 ZINC001465885491 1065910338 /nfs/dbraw/zinc/91/03/38/1065910338.db2.gz FBRNYFDRFLDJBP-HKBOAZHASA-N 2 1 378.520 3.543 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)[nH+]1 ZINC001465885491 1065910340 /nfs/dbraw/zinc/91/03/40/1065910340.db2.gz FBRNYFDRFLDJBP-HKBOAZHASA-N 2 1 378.520 3.543 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@H](C)C1 ZINC001200459979 1066291476 /nfs/dbraw/zinc/29/14/76/1066291476.db2.gz RDZFTVSYIGJSCR-IEBWSBKVSA-N 2 1 394.629 3.668 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@H](C)C1 ZINC001200459979 1066291494 /nfs/dbraw/zinc/29/14/94/1066291494.db2.gz RDZFTVSYIGJSCR-IEBWSBKVSA-N 2 1 394.629 3.668 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001477579531 1078474841 /nfs/dbraw/zinc/47/48/41/1078474841.db2.gz YEHNTTBAJAIJFZ-HSALFYBXSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001477579531 1078474844 /nfs/dbraw/zinc/47/48/44/1078474844.db2.gz YEHNTTBAJAIJFZ-HSALFYBXSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001477579531 1078474846 /nfs/dbraw/zinc/47/48/46/1078474846.db2.gz YEHNTTBAJAIJFZ-HSALFYBXSA-N 2 1 388.600 3.563 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)c2)CC1 ZINC001467569775 1067364983 /nfs/dbraw/zinc/36/49/83/1067364983.db2.gz DRXLSALMLWUTRR-OAQYLSRUSA-N 2 1 386.584 3.591 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001467946907 1067540852 /nfs/dbraw/zinc/54/08/52/1067540852.db2.gz KFVMDNOFXFSMGA-HSZRJFAPSA-N 2 1 385.596 3.666 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001468177453 1067621747 /nfs/dbraw/zinc/62/17/47/1067621747.db2.gz QRULODVRPYMQER-JOCHJYFZSA-N 2 1 388.600 3.737 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(Cc5ccncc5)CC4)[C@@H]3C2)cc1 ZINC000872025876 1067701001 /nfs/dbraw/zinc/70/10/01/1067701001.db2.gz VHHVZDNEMZROPV-CAOCKLPOSA-N 2 1 390.575 3.546 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC001468389740 1067714509 /nfs/dbraw/zinc/71/45/09/1067714509.db2.gz ZZSBCIRDPSIXGT-NRFANRHFSA-N 2 1 386.584 3.553 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C)c1ccccc1 ZINC001477905485 1078620797 /nfs/dbraw/zinc/62/07/97/1078620797.db2.gz HMQQHGMMXKOQOV-UWJYYQICSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)c1ccccc1 ZINC001477905485 1078620799 /nfs/dbraw/zinc/62/07/99/1078620799.db2.gz HMQQHGMMXKOQOV-UWJYYQICSA-N 2 1 380.536 3.602 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC001470077029 1068558328 /nfs/dbraw/zinc/55/83/28/1068558328.db2.gz JPIWJNDZJJWPBO-HSZRJFAPSA-N 2 1 398.595 3.735 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1CC[NH+](CCCF)CC1)c1ccccc1 ZINC001460563628 1068997964 /nfs/dbraw/zinc/99/79/64/1068997964.db2.gz XNEVGYQRTJAHHI-DEOSSOPVSA-N 2 1 383.555 3.879 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460671594 1069075176 /nfs/dbraw/zinc/07/51/76/1069075176.db2.gz PLRDQSCNSXRWHX-HXUWFJFHSA-N 2 1 381.605 3.933 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CCC)CC[N@H+]1Cc1ccccc1 ZINC001470406599 1072533855 /nfs/dbraw/zinc/53/38/55/1072533855.db2.gz OITJYJNDAPDINN-UNMCSNQZSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@H]1[C@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001478766705 1078980055 /nfs/dbraw/zinc/98/00/55/1078980055.db2.gz RTNADOGNROBZOC-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC001471044551 1072901990 /nfs/dbraw/zinc/90/19/90/1072901990.db2.gz FTNVFCQMOQIGNE-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC001471044551 1072901993 /nfs/dbraw/zinc/90/19/93/1072901993.db2.gz FTNVFCQMOQIGNE-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC001471044551 1072901998 /nfs/dbraw/zinc/90/19/98/1072901998.db2.gz FTNVFCQMOQIGNE-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471047752 1072903887 /nfs/dbraw/zinc/90/38/87/1072903887.db2.gz WOUAOQZOPUZVNW-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001471217009 1072970667 /nfs/dbraw/zinc/97/06/67/1072970667.db2.gz ZTQWGJZFBNEVEU-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001471217009 1072970668 /nfs/dbraw/zinc/97/06/68/1072970668.db2.gz ZTQWGJZFBNEVEU-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001471217009 1072970671 /nfs/dbraw/zinc/97/06/71/1072970671.db2.gz ZTQWGJZFBNEVEU-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001479002073 1079059408 /nfs/dbraw/zinc/05/94/08/1079059408.db2.gz XTRFKNWRJFZVEU-RBBKRZOGSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001479002073 1079059418 /nfs/dbraw/zinc/05/94/18/1079059418.db2.gz XTRFKNWRJFZVEU-RBBKRZOGSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001479002073 1079059424 /nfs/dbraw/zinc/05/94/24/1079059424.db2.gz XTRFKNWRJFZVEU-RBBKRZOGSA-N 2 1 390.616 3.737 20 0 GHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC001473343960 1073928455 /nfs/dbraw/zinc/92/84/55/1073928455.db2.gz XGSZBSCKIGCFPI-OXFYSEKESA-N 2 1 393.453 3.857 20 0 GHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC001473343960 1073928458 /nfs/dbraw/zinc/92/84/58/1073928458.db2.gz XGSZBSCKIGCFPI-OXFYSEKESA-N 2 1 393.453 3.857 20 0 GHADMP C[N@@H+](CC[C@@H]1CCc2ccccc21)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473463858 1073978371 /nfs/dbraw/zinc/97/83/71/1073978371.db2.gz XIYHXRVQJZUTKD-DEOSSOPVSA-N 2 1 377.576 3.856 20 0 GHADMP O=C1OCCN1CCC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001473530983 1074004550 /nfs/dbraw/zinc/00/45/50/1074004550.db2.gz MEGMCCDJFPWYEF-HSZRJFAPSA-N 2 1 399.579 3.986 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001473655848 1074070723 /nfs/dbraw/zinc/07/07/23/1074070723.db2.gz DJQLGAGHLGQBDN-DENIHFKCSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC001473686804 1074086777 /nfs/dbraw/zinc/08/67/77/1074086777.db2.gz KXWNGFVGSMHQPB-ILBGXUMGSA-N 2 1 393.575 3.811 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716954 1074104251 /nfs/dbraw/zinc/10/42/51/1074104251.db2.gz NSZFXVKYEPIXDQ-LEWJYISDSA-N 2 1 377.617 3.858 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC001473725349 1074109795 /nfs/dbraw/zinc/10/97/95/1074109795.db2.gz NTUBYXAZCYKQIB-OFNKIYASSA-N 2 1 393.531 3.620 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC001473725349 1074109797 /nfs/dbraw/zinc/10/97/97/1074109797.db2.gz NTUBYXAZCYKQIB-OFNKIYASSA-N 2 1 393.531 3.620 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC001473725349 1074109802 /nfs/dbraw/zinc/10/98/02/1074109802.db2.gz NTUBYXAZCYKQIB-OFNKIYASSA-N 2 1 393.531 3.620 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC001473725349 1074109805 /nfs/dbraw/zinc/10/98/05/1074109805.db2.gz NTUBYXAZCYKQIB-OFNKIYASSA-N 2 1 393.531 3.620 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001473978993 1074224439 /nfs/dbraw/zinc/22/44/39/1074224439.db2.gz IOVMLYHMZFBMEC-UHFFFAOYSA-N 2 1 389.540 3.587 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@@H]1Oc1ccccc1 ZINC001474388757 1074379916 /nfs/dbraw/zinc/37/99/16/1074379916.db2.gz VCKZHDOMVIHATF-JRFVFWCSSA-N 2 1 394.559 3.979 20 0 GHADMP C[C@@H]1OCC[C@]12C[N@H+](C[C@@]1(C(C)(C)C)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001474494194 1074431160 /nfs/dbraw/zinc/43/11/60/1074431160.db2.gz NNUFTOVWUBWMBQ-ZTCOLXNVSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@]12C[N@@H+](C[C@@]1(C(C)(C)C)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001474494194 1074431164 /nfs/dbraw/zinc/43/11/64/1074431164.db2.gz NNUFTOVWUBWMBQ-ZTCOLXNVSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@]12C[NH+](C[C@@]1(C(C)(C)C)CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001474494194 1074431169 /nfs/dbraw/zinc/43/11/69/1074431169.db2.gz NNUFTOVWUBWMBQ-ZTCOLXNVSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@]12C[NH+](C[C@@]1(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001474494194 1074431172 /nfs/dbraw/zinc/43/11/72/1074431172.db2.gz NNUFTOVWUBWMBQ-ZTCOLXNVSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@H](C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC001474513038 1074442214 /nfs/dbraw/zinc/44/22/14/1074442214.db2.gz FIWVZDFEUOBFOK-LJQANCHMSA-N 2 1 387.518 3.818 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC[N@H+](C)[C@@H](C)CC ZINC001495587001 1079419296 /nfs/dbraw/zinc/41/92/96/1079419296.db2.gz FRMZUNQRXAWUCJ-UFYCRDLUSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C ZINC001495863171 1079432178 /nfs/dbraw/zinc/43/21/78/1079432178.db2.gz AQOISIDSYFLCSV-VQTJNVASSA-N 2 1 390.620 3.585 20 0 GHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000736194571 599313119 /nfs/dbraw/zinc/31/31/19/599313119.db2.gz AZKDEXZBHWQUDD-GOSISDBHSA-N 2 1 390.535 3.772 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820702953 607472907 /nfs/dbraw/zinc/47/29/07/607472907.db2.gz BUNDQZCDWNPUBT-INIZCTEOSA-N 2 1 394.498 3.670 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820702953 607472908 /nfs/dbraw/zinc/47/29/08/607472908.db2.gz BUNDQZCDWNPUBT-INIZCTEOSA-N 2 1 394.498 3.670 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820703539 606211599 /nfs/dbraw/zinc/21/15/99/606211599.db2.gz HDGJJJBGEROSEI-OAHLLOKOSA-N 2 1 382.537 3.592 20 0 GHADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000820704538 606914949 /nfs/dbraw/zinc/91/49/49/606914949.db2.gz OPGZHQCYCACYHK-QZTJIDSGSA-N 2 1 382.556 3.904 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164843328 720683886 /nfs/dbraw/zinc/68/38/86/720683886.db2.gz OAAMIAAJWMOACZ-NRFANRHFSA-N 2 1 377.532 3.830 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164843328 720683901 /nfs/dbraw/zinc/68/39/01/720683901.db2.gz OAAMIAAJWMOACZ-NRFANRHFSA-N 2 1 377.532 3.830 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000647544331 837476756 /nfs/dbraw/zinc/47/67/56/837476756.db2.gz ZAVKZJGJMBYQSV-IAGOWNOFSA-N 2 1 386.458 3.848 20 0 GHADMP CC(C)C[C@H]([NH2+][C@H](C)c1csc(-c2ccccc2)n1)C(=O)NCC[NH+](C)C ZINC000414099243 837531920 /nfs/dbraw/zinc/53/19/20/837531920.db2.gz QAUYFJJUTFQVCH-AEFFLSMTSA-N 2 1 388.581 3.553 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccc(OC)nc3)CC2)cs1 ZINC000414113616 837609235 /nfs/dbraw/zinc/60/92/35/837609235.db2.gz KWSGBTABOGCPDU-MRXNPFEDSA-N 2 1 388.581 3.542 20 0 GHADMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703110 837698344 /nfs/dbraw/zinc/69/83/44/837698344.db2.gz AISGBIGBUALAFC-QUCCMNQESA-N 2 1 380.479 3.898 20 0 GHADMP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655725245 837746458 /nfs/dbraw/zinc/74/64/58/837746458.db2.gz PKFMPAXZUXOXJH-MJGOQNOKSA-N 2 1 378.582 3.656 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000557262747 834371135 /nfs/dbraw/zinc/37/11/35/834371135.db2.gz WENJRHQKOAUCCI-UTKZUKDTSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000557262747 834371146 /nfs/dbraw/zinc/37/11/46/834371146.db2.gz WENJRHQKOAUCCI-UTKZUKDTSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655733020 837770645 /nfs/dbraw/zinc/77/06/45/837770645.db2.gz HYVJHXLNWBZQMI-QAPCUYQASA-N 2 1 381.358 3.613 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274574006 834445647 /nfs/dbraw/zinc/44/56/47/834445647.db2.gz JJINHSQTBZLWBT-IDTFWCKXSA-N 2 1 379.548 3.712 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274574006 834445652 /nfs/dbraw/zinc/44/56/52/834445652.db2.gz JJINHSQTBZLWBT-IDTFWCKXSA-N 2 1 379.548 3.712 20 0 GHADMP COc1ccc(Oc2ccc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000655736646 837775620 /nfs/dbraw/zinc/77/56/20/837775620.db2.gz GPSQSIPIPSIBKG-NRFANRHFSA-N 2 1 396.531 3.873 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1 ZINC000583495110 834501716 /nfs/dbraw/zinc/50/17/16/834501716.db2.gz QHEZCBQCCTXRIT-PMACEKPBSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1 ZINC000583495110 834501723 /nfs/dbraw/zinc/50/17/23/834501723.db2.gz QHEZCBQCCTXRIT-PMACEKPBSA-N 2 1 388.577 3.606 20 0 GHADMP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655736958 837780420 /nfs/dbraw/zinc/78/04/20/837780420.db2.gz ITNIFDHPMUWUEP-KSSFIOAISA-N 2 1 399.348 3.752 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)C1 ZINC000650708385 834551676 /nfs/dbraw/zinc/55/16/76/834551676.db2.gz YXOBCJTYCFKYFI-JJRVBVJISA-N 2 1 387.749 3.821 20 0 GHADMP CCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000655738062 837783525 /nfs/dbraw/zinc/78/35/25/837783525.db2.gz RHGCURBGAPTCCD-XMMPIXPASA-N 3 1 399.623 3.912 20 0 GHADMP c1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]nc1-c1cccnc1 ZINC000657771621 834656882 /nfs/dbraw/zinc/65/68/82/834656882.db2.gz DNZGFXRDTNSLFA-NRFANRHFSA-N 2 1 387.531 3.864 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1OC ZINC000650722256 834688786 /nfs/dbraw/zinc/68/87/86/834688786.db2.gz OBCJWMUNZSBQPZ-QKNQBKEWSA-N 2 1 376.541 3.735 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)c(Br)c2)C1 ZINC000650723141 834695844 /nfs/dbraw/zinc/69/58/44/834695844.db2.gz HVVOFGIYDALEOO-XYPHTWIQSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Br)c2)C1 ZINC000650723141 834695847 /nfs/dbraw/zinc/69/58/47/834695847.db2.gz HVVOFGIYDALEOO-XYPHTWIQSA-N 2 1 387.749 3.963 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000510052387 834716245 /nfs/dbraw/zinc/71/62/45/834716245.db2.gz ADZNBDPCKONVEX-OAHLLOKOSA-N 2 1 387.355 3.873 20 0 GHADMP COCCNc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000127089405 837806932 /nfs/dbraw/zinc/80/69/32/837806932.db2.gz QPOHVCJCBFGTAS-UHFFFAOYSA-N 2 1 385.527 3.681 20 0 GHADMP C[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457889 835022765 /nfs/dbraw/zinc/02/27/65/835022765.db2.gz ROEXOINIVIDCIX-QGZVFWFLSA-N 2 1 389.490 3.825 20 0 GHADMP COC(=O)c1cc([C@@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000432834284 844016964 /nfs/dbraw/zinc/01/69/64/844016964.db2.gz AOWMOLLRISADPO-IXDOHACOSA-N 2 1 392.540 3.647 20 0 GHADMP C[C@@H](C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000685604510 835215899 /nfs/dbraw/zinc/21/58/99/835215899.db2.gz AEHFCQIGKLTEKR-CUUWFGFTSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@@H](C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000685604510 835215903 /nfs/dbraw/zinc/21/59/03/835215903.db2.gz AEHFCQIGKLTEKR-CUUWFGFTSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@H](C[NH+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604510 835215911 /nfs/dbraw/zinc/21/59/11/835215911.db2.gz AEHFCQIGKLTEKR-CUUWFGFTSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@H](C[NH+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604510 835215918 /nfs/dbraw/zinc/21/59/18/835215918.db2.gz AEHFCQIGKLTEKR-CUUWFGFTSA-N 2 1 388.596 3.690 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc12 ZINC000657971428 835324243 /nfs/dbraw/zinc/32/42/43/835324243.db2.gz OCWREIJJUCAUFX-AKIFATBCSA-N 2 1 389.547 3.667 20 0 GHADMP CN1c2ccccc2C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000658108614 835439142 /nfs/dbraw/zinc/43/91/42/835439142.db2.gz SZWPDPPSPZGANF-LZBANZJXSA-N 2 1 377.532 3.607 20 0 GHADMP [NH3+]CC1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCC1 ZINC000168556743 835440139 /nfs/dbraw/zinc/44/01/39/835440139.db2.gz DRMYLPFNVRMVNB-UHFFFAOYSA-N 2 1 384.351 3.593 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135319 835444895 /nfs/dbraw/zinc/44/48/95/835444895.db2.gz DHNZKCJQCWJQMQ-AVRDEDQJSA-N 2 1 390.531 3.505 20 0 GHADMP COCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000584021109 835454467 /nfs/dbraw/zinc/45/44/67/835454467.db2.gz GTLHKJPHBZLYQY-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000584021109 835454469 /nfs/dbraw/zinc/45/44/69/835454469.db2.gz GTLHKJPHBZLYQY-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000584021109 835454477 /nfs/dbraw/zinc/45/44/77/835454477.db2.gz GTLHKJPHBZLYQY-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000584021109 835454481 /nfs/dbraw/zinc/45/44/81/835454481.db2.gz GTLHKJPHBZLYQY-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OCC ZINC000133160092 835491184 /nfs/dbraw/zinc/49/11/84/835491184.db2.gz GVBMHSFRGZJRRU-MSOLQXFVSA-N 2 1 376.541 3.636 20 0 GHADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000658319983 835573002 /nfs/dbraw/zinc/57/30/02/835573002.db2.gz KVHHMQKWJKIOMG-FPOVZHCZSA-N 2 1 379.548 3.913 20 0 GHADMP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC(F)(F)CC1 ZINC000658321604 835573698 /nfs/dbraw/zinc/57/36/98/835573698.db2.gz RAGTWEUHJZCCBH-VAMGGRTRSA-N 2 1 378.507 3.817 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ncn1 ZINC000274886538 835781994 /nfs/dbraw/zinc/78/19/94/835781994.db2.gz IQJLKGJLOYFGQD-TZIWHRDSSA-N 2 1 393.579 3.508 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2ccncc2s1 ZINC000657837099 835825897 /nfs/dbraw/zinc/82/58/97/835825897.db2.gz DBWOQLJYASBYBU-MRXNPFEDSA-N 2 1 394.544 3.535 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)Cc3ccccc3)CC2)CC1 ZINC000584359892 835915165 /nfs/dbraw/zinc/91/51/65/835915165.db2.gz QUVBYKXRPIHEOU-UHFFFAOYSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482102 844135414 /nfs/dbraw/zinc/13/54/14/844135414.db2.gz PBTHBTAAFVSJOU-AJSBUHFISA-N 2 1 383.580 3.668 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OCc1ccncc1 ZINC000647479941 836186972 /nfs/dbraw/zinc/18/69/72/836186972.db2.gz YOIQSODVNLLEIP-LEWJYISDSA-N 2 1 381.520 3.633 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1OCc1ccncc1 ZINC000647479941 836186975 /nfs/dbraw/zinc/18/69/75/836186975.db2.gz YOIQSODVNLLEIP-LEWJYISDSA-N 2 1 381.520 3.633 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc4ccccn24)CC3)c1 ZINC001203150687 836249301 /nfs/dbraw/zinc/24/93/01/836249301.db2.gz DFAXVOMSPOFMGP-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000473292024 844147874 /nfs/dbraw/zinc/14/78/74/844147874.db2.gz AZEFNFUBEXQMRW-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473292024 844147881 /nfs/dbraw/zinc/14/78/81/844147881.db2.gz AZEFNFUBEXQMRW-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473292024 844147889 /nfs/dbraw/zinc/14/78/89/844147889.db2.gz AZEFNFUBEXQMRW-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000473292025 844148027 /nfs/dbraw/zinc/14/80/27/844148027.db2.gz AZEFNFUBEXQMRW-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473292025 844148030 /nfs/dbraw/zinc/14/80/30/844148030.db2.gz AZEFNFUBEXQMRW-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473292025 844148041 /nfs/dbraw/zinc/14/80/41/844148041.db2.gz AZEFNFUBEXQMRW-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)N1CCC(C)CC1 ZINC000174155924 836387706 /nfs/dbraw/zinc/38/77/06/836387706.db2.gz NILUCZMUWLJADF-IBGZPJMESA-N 2 1 383.536 3.648 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NCc1ccccc1 ZINC000174155424 836388478 /nfs/dbraw/zinc/38/84/78/836388478.db2.gz HZSQWJZVHPSKMQ-LJQANCHMSA-N 2 1 391.515 3.706 20 0 GHADMP CC1CC[NH+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000324161268 836730579 /nfs/dbraw/zinc/73/05/79/836730579.db2.gz ZRVZCFALQUOWAT-UHFFFAOYSA-N 2 1 397.357 3.822 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000175296242 836746152 /nfs/dbraw/zinc/74/61/52/836746152.db2.gz REYSJUHGNWTOSB-PTUXOGIPSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175325576 836771832 /nfs/dbraw/zinc/77/18/32/836771832.db2.gz HHEGIHGCLFSTGB-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431697899 836907118 /nfs/dbraw/zinc/90/71/18/836907118.db2.gz JYEOXVAGTVSBJU-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000431697899 836907129 /nfs/dbraw/zinc/90/71/29/836907129.db2.gz JYEOXVAGTVSBJU-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000431697899 836907134 /nfs/dbraw/zinc/90/71/34/836907134.db2.gz JYEOXVAGTVSBJU-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431697686 836909080 /nfs/dbraw/zinc/90/90/80/836909080.db2.gz IWXRCRXWHXPRTG-DENIHFKCSA-N 2 1 386.584 3.651 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000510933035 844214687 /nfs/dbraw/zinc/21/46/87/844214687.db2.gz YMZPTOHBHVULKV-OJJQZRKESA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(C[NH+]2C[C@@H](c3ccccc3)[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000510933035 844214692 /nfs/dbraw/zinc/21/46/92/844214692.db2.gz YMZPTOHBHVULKV-OJJQZRKESA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(C[NH+]2C[C@@H](c3ccccc3)[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000510933035 844214697 /nfs/dbraw/zinc/21/46/97/844214697.db2.gz YMZPTOHBHVULKV-OJJQZRKESA-N 2 1 375.560 3.871 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000052119938 844220432 /nfs/dbraw/zinc/22/04/32/844220432.db2.gz REQSRWIDGDHOEA-UHFFFAOYSA-N 2 1 375.476 3.516 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468019170 837123817 /nfs/dbraw/zinc/12/38/17/837123817.db2.gz GDLWIJBTCZNMOD-JAXLGGSGSA-N 2 1 388.600 3.735 20 0 GHADMP C[NH+]1CCC(Nc2ccccc2NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000471374835 837378851 /nfs/dbraw/zinc/37/88/51/837378851.db2.gz SZSXAPFYXKJXIP-UHFFFAOYSA-N 2 1 392.547 3.580 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659285402 838203667 /nfs/dbraw/zinc/20/36/67/838203667.db2.gz OBNSLRLTGQFZLV-WZONZLPQSA-N 2 1 377.532 3.912 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000651192837 838210278 /nfs/dbraw/zinc/21/02/78/838210278.db2.gz CVCRCXUACOJQTM-IRLDBZIGSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651192837 838210290 /nfs/dbraw/zinc/21/02/90/838210290.db2.gz CVCRCXUACOJQTM-IRLDBZIGSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651192837 838210300 /nfs/dbraw/zinc/21/03/00/838210300.db2.gz CVCRCXUACOJQTM-IRLDBZIGSA-N 2 1 388.600 3.659 20 0 GHADMP Cc1cccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535682763 844303658 /nfs/dbraw/zinc/30/36/58/844303658.db2.gz YQAFSYXKSOBTII-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP Cc1cccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535682763 844303668 /nfs/dbraw/zinc/30/36/68/844303668.db2.gz YQAFSYXKSOBTII-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000579973983 838225533 /nfs/dbraw/zinc/22/55/33/838225533.db2.gz RTSIUJIFXLOMBJ-FWKCKQQBSA-N 2 1 381.564 3.705 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415914323 838263194 /nfs/dbraw/zinc/26/31/94/838263194.db2.gz WCIBDPSCCJHMDK-UYAOXDASSA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000415912473 838269498 /nfs/dbraw/zinc/26/94/98/838269498.db2.gz LKYUFHYDYQLXRD-UHFFFAOYSA-N 2 1 392.503 3.953 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000415912473 838269505 /nfs/dbraw/zinc/26/95/05/838269505.db2.gz LKYUFHYDYQLXRD-UHFFFAOYSA-N 2 1 392.503 3.953 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613563542 838298167 /nfs/dbraw/zinc/29/81/67/838298167.db2.gz LZTAYZOMINFIKF-QHCPKHFHSA-N 2 1 395.522 3.875 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613563542 838298175 /nfs/dbraw/zinc/29/81/75/838298175.db2.gz LZTAYZOMINFIKF-QHCPKHFHSA-N 2 1 395.522 3.875 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415984346 838361320 /nfs/dbraw/zinc/36/13/20/838361320.db2.gz PENRICIVFRGTHZ-NQIIRXRSSA-N 2 1 380.536 3.828 20 0 GHADMP [NH3+]C1(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCC1 ZINC000659452165 838406081 /nfs/dbraw/zinc/40/60/81/838406081.db2.gz MAADLOOGSRNUKA-UHFFFAOYSA-N 2 1 399.366 3.529 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)CC[NH+]2CCc3ccccc3C2)c1)C1CC1 ZINC000416191623 838683724 /nfs/dbraw/zinc/68/37/24/838683724.db2.gz PFTPKXYERRPXJP-UHFFFAOYSA-N 2 1 377.532 3.710 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1)C1CC1 ZINC000416191623 838683732 /nfs/dbraw/zinc/68/37/32/838683732.db2.gz PFTPKXYERRPXJP-UHFFFAOYSA-N 2 1 377.532 3.710 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)c1)C1CC1 ZINC000416191623 838683740 /nfs/dbraw/zinc/68/37/40/838683740.db2.gz PFTPKXYERRPXJP-UHFFFAOYSA-N 2 1 377.532 3.710 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)cc2)CC1 ZINC000376749657 838704262 /nfs/dbraw/zinc/70/42/62/838704262.db2.gz HTLUKIMMANTDJF-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000376763480 838711977 /nfs/dbraw/zinc/71/19/77/838711977.db2.gz KBEHUGSAKULMIB-ODMLGRRDSA-N 2 1 381.524 3.508 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000376763480 838711987 /nfs/dbraw/zinc/71/19/87/838711987.db2.gz KBEHUGSAKULMIB-ODMLGRRDSA-N 2 1 381.524 3.508 20 0 GHADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958159 844391395 /nfs/dbraw/zinc/39/13/95/844391395.db2.gz ICFOLZYRNCMDOM-MOPGFXCFSA-N 2 1 387.568 3.571 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000377132583 839027415 /nfs/dbraw/zinc/02/74/15/839027415.db2.gz XUPWNNMCZQRVRF-VHJOFQCFSA-N 2 1 384.564 3.605 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000189094339 839078077 /nfs/dbraw/zinc/07/80/77/839078077.db2.gz DNEGVZYCUBAOAI-WZONZLPQSA-N 2 1 388.515 3.941 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2C)cc1 ZINC000580245268 839109690 /nfs/dbraw/zinc/10/96/90/839109690.db2.gz HEIGFNAAOGSGOK-QFIPXVFZSA-N 2 1 396.579 3.721 20 0 GHADMP c1ccc(COc2ccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cc2)cc1 ZINC000415051937 839121558 /nfs/dbraw/zinc/12/15/58/839121558.db2.gz KBUONJGHFYXDQX-UHFFFAOYSA-N 2 1 379.548 3.572 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)CC1 ZINC000255427523 839300966 /nfs/dbraw/zinc/30/09/66/839300966.db2.gz SHHYVXSUSBMTHB-ARJAWSKDSA-N 2 1 389.971 3.619 20 0 GHADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)Cn1nccc1-c1cccnc1 ZINC000173513114 839412320 /nfs/dbraw/zinc/41/23/20/839412320.db2.gz QMVFHVZPFNCNGF-UHFFFAOYSA-N 2 1 376.508 3.536 20 0 GHADMP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377385223 839421459 /nfs/dbraw/zinc/42/14/59/839421459.db2.gz COIOGUAARSEMFH-OFNKIYASSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418461723 840262331 /nfs/dbraw/zinc/26/23/31/840262331.db2.gz MGYXEKOUHRBOBP-RBUKOAKNSA-N 2 1 380.536 3.512 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1)CC1CC1 ZINC000418467598 840271693 /nfs/dbraw/zinc/27/16/93/840271693.db2.gz AFYCRCZQZZVXBW-SFHVURJKSA-N 2 1 386.584 3.750 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000416966729 840315558 /nfs/dbraw/zinc/31/55/58/840315558.db2.gz FYWPKGYFNBWFFX-RBBKRZOGSA-N 2 1 386.584 3.591 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000416971941 840328842 /nfs/dbraw/zinc/32/88/42/840328842.db2.gz QYHLULAONDOGPI-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Nc1ccc(Cl)cc1 ZINC000313036832 840581556 /nfs/dbraw/zinc/58/15/56/840581556.db2.gz QSXKROUAXWEYSG-DUXKGJEZSA-N 2 1 383.923 3.779 20 0 GHADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Nc1ccc(Cl)cc1 ZINC000313036832 840581569 /nfs/dbraw/zinc/58/15/69/840581569.db2.gz QSXKROUAXWEYSG-DUXKGJEZSA-N 2 1 383.923 3.779 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000417213108 840588773 /nfs/dbraw/zinc/58/87/73/840588773.db2.gz FSNKNCHNOSKMLC-DEOSSOPVSA-N 2 1 398.595 3.736 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1F ZINC000417265570 840644623 /nfs/dbraw/zinc/64/46/23/840644623.db2.gz CEPCMIANFSCNST-HXUWFJFHSA-N 2 1 395.482 3.599 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)C2)nn1 ZINC000581059547 840653851 /nfs/dbraw/zinc/65/38/51/840653851.db2.gz GKPVWGAPQNDYPS-IBGZPJMESA-N 2 1 399.445 3.644 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Oc4cc(F)cc(F)c4)cc3)C2)nn1 ZINC000581059548 840654334 /nfs/dbraw/zinc/65/43/34/840654334.db2.gz GKPVWGAPQNDYPS-LJQANCHMSA-N 2 1 399.445 3.644 20 0 GHADMP CC(C)[N@H+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000581087746 840685970 /nfs/dbraw/zinc/68/59/70/840685970.db2.gz VPWXRQMSGHEWJE-MRXNPFEDSA-N 2 1 393.881 3.722 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000581087746 840685974 /nfs/dbraw/zinc/68/59/74/840685974.db2.gz VPWXRQMSGHEWJE-MRXNPFEDSA-N 2 1 393.881 3.722 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000581087746 840685979 /nfs/dbraw/zinc/68/59/79/840685979.db2.gz VPWXRQMSGHEWJE-MRXNPFEDSA-N 2 1 393.881 3.722 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000581087746 840685983 /nfs/dbraw/zinc/68/59/83/840685983.db2.gz VPWXRQMSGHEWJE-MRXNPFEDSA-N 2 1 393.881 3.722 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000584746406 840735346 /nfs/dbraw/zinc/73/53/46/840735346.db2.gz HCGNHVLGCTUMEN-HNNXBMFYSA-N 2 1 397.357 3.630 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@@H](C)C3)CC2)CC1 ZINC000581141520 840778183 /nfs/dbraw/zinc/77/81/83/840778183.db2.gz YHUMCYVPHKPOAR-RDPSFJRHSA-N 2 1 397.607 3.835 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000512571370 844590540 /nfs/dbraw/zinc/59/05/40/844590540.db2.gz BAIRWHGNGALUQM-SIKLNZKXSA-N 2 1 379.548 3.779 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581250326 840942275 /nfs/dbraw/zinc/94/22/75/840942275.db2.gz DCFROPRMCHSMKO-QHCPKHFHSA-N 3 1 393.575 3.914 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581250326 840942280 /nfs/dbraw/zinc/94/22/80/840942280.db2.gz DCFROPRMCHSMKO-QHCPKHFHSA-N 3 1 393.575 3.914 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000584827120 840994331 /nfs/dbraw/zinc/99/43/31/840994331.db2.gz HBKNOQJFPCLWPW-LPHOPBHVSA-N 2 1 396.510 3.646 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)N(CCC[NH3+])CC2CCCC2)[C@H]1c1cccs1 ZINC000417730243 841162930 /nfs/dbraw/zinc/16/29/30/841162930.db2.gz DIUQFWFZVGYEOS-ICSRJNTNSA-N 2 1 392.613 3.682 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH2+]C2CCCCCC2)[C@H]1c1cccs1 ZINC000417744807 841172177 /nfs/dbraw/zinc/17/21/77/841172177.db2.gz YRYAJTUYLQGKJM-XLIONFOSSA-N 2 1 392.613 3.743 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC000631112206 841269722 /nfs/dbraw/zinc/26/97/22/841269722.db2.gz YPGZRPSWIYAAOX-FQEVSTJZSA-N 2 1 378.438 3.648 20 0 GHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)cc1F ZINC000364181718 841312266 /nfs/dbraw/zinc/31/22/66/841312266.db2.gz OOLYIBABBJVWMD-UHFFFAOYSA-N 2 1 393.522 3.542 20 0 GHADMP C[C@@H](CC1CCCC1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364182819 841315692 /nfs/dbraw/zinc/31/56/92/841315692.db2.gz PILJVUMWHXJIOS-IBGZPJMESA-N 2 1 377.617 3.858 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cnc21 ZINC000177510620 861193685 /nfs/dbraw/zinc/19/36/85/861193685.db2.gz CSXPNNXRJLPQAR-KDURUIRLSA-N 2 1 399.583 3.724 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnnn3-c3ccccc3)c2)CC1 ZINC000651705975 841399156 /nfs/dbraw/zinc/39/91/56/841399156.db2.gz OADXBBHYJXYRLA-UHFFFAOYSA-N 2 1 375.520 3.789 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000418042408 841425519 /nfs/dbraw/zinc/42/55/19/841425519.db2.gz LOZQPHFGGOMFEK-FDDCHVKYSA-N 2 1 380.536 3.560 20 0 GHADMP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500098628 841428736 /nfs/dbraw/zinc/42/87/36/841428736.db2.gz QQIBFXKQTSEDAF-FXAWDEMLSA-N 2 1 383.502 3.911 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000418188794 841625499 /nfs/dbraw/zinc/62/54/99/841625499.db2.gz USJKVVSSVMQTBZ-IBGZPJMESA-N 2 1 392.975 3.508 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 ZINC001167828589 842114507 /nfs/dbraw/zinc/11/45/07/842114507.db2.gz ZYAFNYKHGPTEAT-WWNPGLIZSA-N 2 1 389.584 3.651 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000684413350 842138625 /nfs/dbraw/zinc/13/86/25/842138625.db2.gz WVLFKKADMLHTTR-SZPZYZBQSA-N 2 1 388.515 3.649 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000684413350 842138627 /nfs/dbraw/zinc/13/86/27/842138627.db2.gz WVLFKKADMLHTTR-SZPZYZBQSA-N 2 1 388.515 3.649 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000684413350 842138632 /nfs/dbraw/zinc/13/86/32/842138632.db2.gz WVLFKKADMLHTTR-SZPZYZBQSA-N 2 1 388.515 3.649 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000684413350 842138634 /nfs/dbraw/zinc/13/86/34/842138634.db2.gz WVLFKKADMLHTTR-SZPZYZBQSA-N 2 1 388.515 3.649 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000600441780 842167323 /nfs/dbraw/zinc/16/73/23/842167323.db2.gz NKHRVXXBILEQFL-WOJBJXKFSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000600441780 842167328 /nfs/dbraw/zinc/16/73/28/842167328.db2.gz NKHRVXXBILEQFL-WOJBJXKFSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000600441780 842167330 /nfs/dbraw/zinc/16/73/30/842167330.db2.gz NKHRVXXBILEQFL-WOJBJXKFSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCCOC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833973 842224808 /nfs/dbraw/zinc/22/48/08/842224808.db2.gz GVTBBOJGURXPBC-PMACEKPBSA-N 2 1 399.620 3.845 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000661859476 842241169 /nfs/dbraw/zinc/24/11/69/842241169.db2.gz YGDFCGXXPQJFRW-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661859476 842241177 /nfs/dbraw/zinc/24/11/77/842241177.db2.gz YGDFCGXXPQJFRW-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661859476 842241188 /nfs/dbraw/zinc/24/11/88/842241188.db2.gz YGDFCGXXPQJFRW-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[N@@H+](CCCN[C@@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411686 842406589 /nfs/dbraw/zinc/40/65/89/842406589.db2.gz ABQDZLVPCOGFCG-SUMWQHHRSA-N 2 1 385.321 3.666 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000188351920 842902696 /nfs/dbraw/zinc/90/26/96/842902696.db2.gz POTVJGYZNBRUKP-UHFFFAOYSA-N 2 1 394.563 3.528 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2)cs1 ZINC000662294168 843084351 /nfs/dbraw/zinc/08/43/51/843084351.db2.gz PNXRQHLNZWTAIN-LJQANCHMSA-N 2 1 398.576 3.769 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299039 843090493 /nfs/dbraw/zinc/09/04/93/843090493.db2.gz ZIHWFPAHJYKTOL-WBVHZDCISA-N 2 1 393.959 3.696 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Cc1ccccc1 ZINC000662296220 843091657 /nfs/dbraw/zinc/09/16/57/843091657.db2.gz YGWRORCLBSSVJK-HSZRJFAPSA-N 2 1 391.559 3.928 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000510650386 843125151 /nfs/dbraw/zinc/12/51/51/843125151.db2.gz ZXZXOLKNPJYARS-VQTJNVASSA-N 2 1 386.584 3.957 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000662327707 843156291 /nfs/dbraw/zinc/15/62/91/843156291.db2.gz UFFUMURGMLKHNV-UHFFFAOYSA-N 2 1 382.552 3.663 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000662398838 843184852 /nfs/dbraw/zinc/18/48/52/843184852.db2.gz JMALSNBAJRVJPO-SFHVURJKSA-N 2 1 396.318 3.833 20 0 GHADMP C[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC[N@H+]1Cc1ccccc1 ZINC000662482236 843313050 /nfs/dbraw/zinc/31/30/50/843313050.db2.gz JTYLWWQJRJQIBG-XXBNENTESA-N 2 1 391.559 3.802 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Cc1ccc(F)cc1 ZINC000663368640 843330320 /nfs/dbraw/zinc/33/03/20/843330320.db2.gz LWFQWBHRKNQSJP-FYYLOGMGSA-N 2 1 382.523 3.621 20 0 GHADMP CCc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000432660781 843369007 /nfs/dbraw/zinc/36/90/07/843369007.db2.gz SZOBYNYDSSAASO-FQEVSTJZSA-N 2 1 383.561 3.893 20 0 GHADMP CCc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000432660781 843369009 /nfs/dbraw/zinc/36/90/09/843369009.db2.gz SZOBYNYDSSAASO-FQEVSTJZSA-N 2 1 383.561 3.893 20 0 GHADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432670548 843388255 /nfs/dbraw/zinc/38/82/55/843388255.db2.gz MZQLVMAVGMFHQU-YZGWKJHDSA-N 2 1 389.609 3.729 20 0 GHADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432670548 843388266 /nfs/dbraw/zinc/38/82/66/843388266.db2.gz MZQLVMAVGMFHQU-YZGWKJHDSA-N 2 1 389.609 3.729 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000152023101 843403343 /nfs/dbraw/zinc/40/33/43/843403343.db2.gz VYZOZKRFLXVBJA-IYBDPMFKSA-N 2 1 375.488 3.678 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000152023101 843403354 /nfs/dbraw/zinc/40/33/54/843403354.db2.gz VYZOZKRFLXVBJA-IYBDPMFKSA-N 2 1 375.488 3.678 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000165429964 843488074 /nfs/dbraw/zinc/48/80/74/843488074.db2.gz WACAYWNWVWFIBC-INIZCTEOSA-N 2 1 384.499 3.674 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000636840474 843516414 /nfs/dbraw/zinc/51/64/14/843516414.db2.gz NVXVXLUILVTMRZ-PKOBYXMFSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)C[C@@H](C)O1 ZINC000432739080 843625989 /nfs/dbraw/zinc/62/59/89/843625989.db2.gz OUTNIMDMPXPGSN-HUUCEWRRSA-N 2 1 377.529 3.757 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466842 843664702 /nfs/dbraw/zinc/66/47/02/843664702.db2.gz ALEATDDTZJDNDK-RDJZCZTQSA-N 2 1 393.959 3.777 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(F)ccc3Br)CC2)C[C@@H](C)O1 ZINC000303240892 843726437 /nfs/dbraw/zinc/72/64/37/843726437.db2.gz JOULNYSEISQLJO-HUUCEWRRSA-N 2 1 399.348 3.909 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000092165398 843733087 /nfs/dbraw/zinc/73/30/87/843733087.db2.gz JNGRKSDGTOTJDD-UHFFFAOYSA-N 2 1 383.536 3.975 20 0 GHADMP C[C@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182402526 843736358 /nfs/dbraw/zinc/73/63/58/843736358.db2.gz IHBAADILYYUOOS-RRPUWOKSSA-N 2 1 398.595 3.776 20 0 GHADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OCc1cccnc1 ZINC000237191043 843917094 /nfs/dbraw/zinc/91/70/94/843917094.db2.gz UQZUBMNWQATWNI-KRWDZBQOSA-N 2 1 380.492 3.600 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000237878494 843984041 /nfs/dbraw/zinc/98/40/41/843984041.db2.gz XZKXIBPBGGQVEL-UHFFFAOYSA-N 2 1 397.485 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616565 844752435 /nfs/dbraw/zinc/75/24/35/844752435.db2.gz BRKSANZUUJQBIF-HJOGWXRNSA-N 3 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616565 844752441 /nfs/dbraw/zinc/75/24/41/844752441.db2.gz BRKSANZUUJQBIF-HJOGWXRNSA-N 3 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616565 844752445 /nfs/dbraw/zinc/75/24/45/844752445.db2.gz BRKSANZUUJQBIF-HJOGWXRNSA-N 2 1 397.607 3.522 20 0 GHADMP CCn1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1C ZINC000535850710 844812631 /nfs/dbraw/zinc/81/26/31/844812631.db2.gz LGXVEGUCABQQBM-VXKWHMMOSA-N 2 1 388.600 3.534 20 0 GHADMP C[N@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684619805 844835493 /nfs/dbraw/zinc/83/54/93/844835493.db2.gz PTNBXTBRNVDMED-NRFANRHFSA-N 2 1 391.987 3.729 20 0 GHADMP C[N@@H+](Cc1cc(Cl)ccc1OCC1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000684619805 844835499 /nfs/dbraw/zinc/83/54/99/844835499.db2.gz PTNBXTBRNVDMED-NRFANRHFSA-N 2 1 391.987 3.729 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000512650062 844886122 /nfs/dbraw/zinc/88/61/22/844886122.db2.gz WUTFAZFWXFAVCJ-GPJHCHHRSA-N 2 1 384.564 3.605 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512673469 844991956 /nfs/dbraw/zinc/99/19/56/844991956.db2.gz QTYOLJPDLUAMFT-YFNKSVMNSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512673469 844991966 /nfs/dbraw/zinc/99/19/66/844991966.db2.gz QTYOLJPDLUAMFT-YFNKSVMNSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512673469 844991969 /nfs/dbraw/zinc/99/19/69/844991969.db2.gz QTYOLJPDLUAMFT-YFNKSVMNSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512673467 844992026 /nfs/dbraw/zinc/99/20/26/844992026.db2.gz QTYOLJPDLUAMFT-QPTUXGOLSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512673467 844992028 /nfs/dbraw/zinc/99/20/28/844992028.db2.gz QTYOLJPDLUAMFT-QPTUXGOLSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512673467 844992035 /nfs/dbraw/zinc/99/20/35/844992035.db2.gz QTYOLJPDLUAMFT-QPTUXGOLSA-N 2 1 399.623 3.766 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(F)c(CN(C)C)c2)CC1 ZINC000152176858 845021698 /nfs/dbraw/zinc/02/16/98/845021698.db2.gz CQSMIPFFPVAJAN-UHFFFAOYSA-N 2 1 398.570 3.709 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](Cc3ccccc3)[C@@H](O)C(F)F)CC2)C1 ZINC000513204492 845046356 /nfs/dbraw/zinc/04/63/56/845046356.db2.gz RVHJNJKBVKWRLP-UMSONDCASA-N 2 1 380.523 3.856 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513209216 845053981 /nfs/dbraw/zinc/05/39/81/845053981.db2.gz HHKGRHXWOSEAPZ-LJQANCHMSA-N 2 1 381.442 3.982 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576704283 845204680 /nfs/dbraw/zinc/20/46/80/845204680.db2.gz IRNKMYBEKJGZEI-QRVBRYPASA-N 2 1 379.504 3.737 20 0 GHADMP COC(=O)c1oc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1C ZINC000433113395 845345261 /nfs/dbraw/zinc/34/52/61/845345261.db2.gz LFCDNLXAKGNOCK-UHFFFAOYSA-N 2 1 382.504 3.863 20 0 GHADMP COC(=O)C1(c2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC001167503481 845520078 /nfs/dbraw/zinc/52/00/78/845520078.db2.gz ABAYQFZILDUICX-QFIPXVFZSA-N 2 1 392.543 3.845 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001167503481 845520083 /nfs/dbraw/zinc/52/00/83/845520083.db2.gz ABAYQFZILDUICX-QFIPXVFZSA-N 2 1 392.543 3.845 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001167503481 845520091 /nfs/dbraw/zinc/52/00/91/845520091.db2.gz ABAYQFZILDUICX-QFIPXVFZSA-N 2 1 392.543 3.845 20 0 GHADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000563159669 845522895 /nfs/dbraw/zinc/52/28/95/845522895.db2.gz ISJQOHNIINTMLE-JOCHJYFZSA-N 2 1 381.520 3.608 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413898397 845568694 /nfs/dbraw/zinc/56/86/94/845568694.db2.gz GKJAQRJXRXACJS-LJQANCHMSA-N 2 1 399.510 3.617 20 0 GHADMP CCC[N@H+](Cc1cccc2[nH]c(=O)oc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000892050374 845596722 /nfs/dbraw/zinc/59/67/22/845596722.db2.gz XZIFQJFICZXBJL-UHFFFAOYSA-N 2 1 395.507 3.821 20 0 GHADMP CCC[N@@H+](Cc1cccc2[nH]c(=O)oc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000892050374 845596725 /nfs/dbraw/zinc/59/67/25/845596725.db2.gz XZIFQJFICZXBJL-UHFFFAOYSA-N 2 1 395.507 3.821 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000894230284 845606532 /nfs/dbraw/zinc/60/65/32/845606532.db2.gz CKOMWPLGZPYEIG-UHFFFAOYSA-N 2 1 394.357 3.715 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000433943510 845641887 /nfs/dbraw/zinc/64/18/87/845641887.db2.gz UOBUOEJPGJSEMC-NWSQWKLXSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000433943510 845641894 /nfs/dbraw/zinc/64/18/94/845641894.db2.gz UOBUOEJPGJSEMC-NWSQWKLXSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000433943510 845641902 /nfs/dbraw/zinc/64/19/02/845641902.db2.gz UOBUOEJPGJSEMC-NWSQWKLXSA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc4cc(C)c(C)cc4o3)CC2)CC1 ZINC000513646964 846211518 /nfs/dbraw/zinc/21/15/18/846211518.db2.gz DPDDRFPOTHXFIK-UHFFFAOYSA-N 2 1 397.563 3.816 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000582122939 846419784 /nfs/dbraw/zinc/41/97/84/846419784.db2.gz TYIKWPIIYKNSET-ZWKOTPCHSA-N 2 1 381.520 3.541 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000657358024 846505873 /nfs/dbraw/zinc/50/58/73/846505873.db2.gz UIANUFQYEMANAR-ALOPSCKCSA-N 2 1 378.442 3.724 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000657358024 846505879 /nfs/dbraw/zinc/50/58/79/846505879.db2.gz UIANUFQYEMANAR-ALOPSCKCSA-N 2 1 378.442 3.724 20 0 GHADMP CN(CC[N@@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000582149313 846521263 /nfs/dbraw/zinc/52/12/63/846521263.db2.gz GYRPREUAZTWCTK-UHFFFAOYSA-N 2 1 377.882 3.817 20 0 GHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501040880 846564323 /nfs/dbraw/zinc/56/43/23/846564323.db2.gz TVXIACIQSNCMKI-LJQANCHMSA-N 2 1 380.536 3.874 20 0 GHADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050066 846577504 /nfs/dbraw/zinc/57/75/04/846577504.db2.gz KRDOOTLXOVIKHX-VQTJNVASSA-N 2 1 394.563 3.804 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501050782 846578029 /nfs/dbraw/zinc/57/80/29/846578029.db2.gz HFBOGAWTZJZFSN-APWZRJJASA-N 2 1 383.374 3.984 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C2CC2)c(F)c1 ZINC000421833008 846609896 /nfs/dbraw/zinc/60/98/96/846609896.db2.gz HFCRZOBERDBREV-BHIFYINESA-N 2 1 376.516 3.643 20 0 GHADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000502924071 846620293 /nfs/dbraw/zinc/62/02/93/846620293.db2.gz GNOAGNQKXLAGOY-IBGZPJMESA-N 2 1 394.563 3.651 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000501078572 846620434 /nfs/dbraw/zinc/62/04/34/846620434.db2.gz KKITZXGDOJFMOV-NRFANRHFSA-N 2 1 398.938 3.689 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000582232056 846683991 /nfs/dbraw/zinc/68/39/91/846683991.db2.gz CUSBIUUIIANKPZ-WDYCEAGBSA-N 2 1 393.959 3.502 20 0 GHADMP CC[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000502999648 846700174 /nfs/dbraw/zinc/70/01/74/846700174.db2.gz WLOOXVJZPRPIFL-GMAHTHKFSA-N 2 1 379.548 3.667 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1OC(F)F ZINC000647248658 846923795 /nfs/dbraw/zinc/92/37/95/846923795.db2.gz PPTIYSZNHIVBLD-MSOLQXFVSA-N 2 1 376.447 3.732 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647248856 846939077 /nfs/dbraw/zinc/93/90/77/846939077.db2.gz KKTRWLAPOBJUCN-MJGOQNOKSA-N 2 1 376.447 3.732 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647248856 846939089 /nfs/dbraw/zinc/93/90/89/846939089.db2.gz KKTRWLAPOBJUCN-MJGOQNOKSA-N 2 1 376.447 3.732 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000582360888 846948359 /nfs/dbraw/zinc/94/83/59/846948359.db2.gz XJDUSWQMKCBRTE-RTWAWAEBSA-N 2 1 393.531 3.526 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272608865 847124664 /nfs/dbraw/zinc/12/46/64/847124664.db2.gz VTWQIXQQIGZXIL-XLIONFOSSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272608865 847124670 /nfs/dbraw/zinc/12/46/70/847124670.db2.gz VTWQIXQQIGZXIL-XLIONFOSSA-N 2 1 383.502 3.903 20 0 GHADMP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000420330360 847126746 /nfs/dbraw/zinc/12/67/46/847126746.db2.gz BCLIUFPEYVNZCT-SJLPKXTDSA-N 2 1 382.335 3.563 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501729038 847137038 /nfs/dbraw/zinc/13/70/38/847137038.db2.gz GPMDGBHLOSATRD-IBGZPJMESA-N 2 1 399.501 3.860 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513774215 847148234 /nfs/dbraw/zinc/14/82/34/847148234.db2.gz WOMBOVAXPBMVRP-AUSIDOKSSA-N 2 1 379.548 3.921 20 0 GHADMP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501775625 847176807 /nfs/dbraw/zinc/17/68/07/847176807.db2.gz PQDLTTDLSWPVOF-AWEZNQCLSA-N 2 1 392.544 3.816 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000501826597 847215159 /nfs/dbraw/zinc/21/51/59/847215159.db2.gz KAWHMNJKSILNRO-XHYAQGIWSA-N 2 1 386.584 3.630 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501831117 847226690 /nfs/dbraw/zinc/22/66/90/847226690.db2.gz XKUIGQHGZVATGB-IFMALSPDSA-N 2 1 386.584 3.777 20 0 GHADMP C[N@@H+]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000501851065 847256611 /nfs/dbraw/zinc/25/66/11/847256611.db2.gz MRDXEZXWZBZNGL-DHIUTWEWSA-N 2 1 392.547 3.522 20 0 GHADMP C[N@H+]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000501851065 847256623 /nfs/dbraw/zinc/25/66/23/847256623.db2.gz MRDXEZXWZBZNGL-DHIUTWEWSA-N 2 1 392.547 3.522 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657431801 847260209 /nfs/dbraw/zinc/26/02/09/847260209.db2.gz KBGGRKRXTLEMMS-NZSAHSFTSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657431801 847260221 /nfs/dbraw/zinc/26/02/21/847260221.db2.gz KBGGRKRXTLEMMS-NZSAHSFTSA-N 2 1 392.469 3.829 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000430043245 847411842 /nfs/dbraw/zinc/41/18/42/847411842.db2.gz FIEXOMCTUMECBW-OAQYLSRUSA-N 2 1 390.531 3.535 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000430043245 847411853 /nfs/dbraw/zinc/41/18/53/847411853.db2.gz FIEXOMCTUMECBW-OAQYLSRUSA-N 2 1 390.531 3.535 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)CC2)CC1 ZINC000420982910 847589120 /nfs/dbraw/zinc/58/91/20/847589120.db2.gz PUBTWRGGVQPXCU-UHFFFAOYSA-N 2 1 399.501 3.620 20 0 GHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(c2ccccc2)CC1 ZINC000420968666 847596709 /nfs/dbraw/zinc/59/67/09/847596709.db2.gz WZRABXVMSBCSIU-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(c2ccccc2)CC1 ZINC000420968666 847596723 /nfs/dbraw/zinc/59/67/23/847596723.db2.gz WZRABXVMSBCSIU-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1Cl ZINC000611623612 847630881 /nfs/dbraw/zinc/63/08/81/847630881.db2.gz DRVYVHXCTRTLKR-LJQANCHMSA-N 2 1 380.964 3.554 20 0 GHADMP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000502279156 847685461 /nfs/dbraw/zinc/68/54/61/847685461.db2.gz DCPHJBOQGREDNA-LJQANCHMSA-N 2 1 398.547 3.565 20 0 GHADMP c1ccc([C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[NH+]2CCCC2)cc1 ZINC000422735203 847789053 /nfs/dbraw/zinc/78/90/53/847789053.db2.gz VTITXGDYIOFBFL-GPXNEJASSA-N 2 1 377.532 3.669 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422811813 847834907 /nfs/dbraw/zinc/83/49/07/847834907.db2.gz PNRODOPTPAJDBA-QBZTVIHSSA-N 3 1 385.596 3.696 20 0 GHADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422811813 847834920 /nfs/dbraw/zinc/83/49/20/847834920.db2.gz PNRODOPTPAJDBA-QBZTVIHSSA-N 2 1 385.596 3.696 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cs1 ZINC000422907413 847881406 /nfs/dbraw/zinc/88/14/06/847881406.db2.gz BOIJJORBZDDZOH-NJDAHSKKSA-N 3 1 390.641 3.818 20 0 GHADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423032402 847947906 /nfs/dbraw/zinc/94/79/06/847947906.db2.gz MLLULOAASXUOIN-HDAAZOAOSA-N 2 1 375.438 3.974 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000582714789 848122448 /nfs/dbraw/zinc/12/24/48/848122448.db2.gz IUTQPCPIRFSHRA-CVAIRZPRSA-N 2 1 386.565 3.650 20 0 GHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1cccnc1OC1CCCC1 ZINC000582719527 848135578 /nfs/dbraw/zinc/13/55/78/848135578.db2.gz DBEGDSWSMSEZHC-OFNKIYASSA-N 2 1 379.504 3.749 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(OC)cccc2OC)CC1 ZINC000657585293 848262632 /nfs/dbraw/zinc/26/26/32/848262632.db2.gz GEIFBSXCTMOHFI-UHFFFAOYSA-N 2 1 383.536 3.526 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(-c4ccccc4)s3)cc2)C1 ZINC000657593914 848284687 /nfs/dbraw/zinc/28/46/87/848284687.db2.gz CMVQRONDMWFTFC-FQEVSTJZSA-N 2 1 379.529 3.667 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1Br ZINC000657594947 848288706 /nfs/dbraw/zinc/28/87/06/848288706.db2.gz LNMDMIIRZAPDSJ-IBGZPJMESA-N 2 1 389.337 3.614 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596033 848291020 /nfs/dbraw/zinc/29/10/20/848291020.db2.gz LBTSUIRGBNSJSF-QFIPXVFZSA-N 2 1 393.556 3.975 20 0 GHADMP COc1cc2cccnc2c(N(c2c[nH+]c3c(c2)CCCN3)[C@@H](C)CCC[NH3+])c1 ZINC001167614060 848347522 /nfs/dbraw/zinc/34/75/22/848347522.db2.gz MBRYMUCIOXXQIW-INIZCTEOSA-N 2 1 391.519 3.741 20 0 GHADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cc2ccccc2o1 ZINC000472262867 848430454 /nfs/dbraw/zinc/43/04/54/848430454.db2.gz MMDFRRJTURBZDW-UHFFFAOYSA-N 2 1 391.515 3.777 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cc2ccccc2o1 ZINC000472262867 848430457 /nfs/dbraw/zinc/43/04/57/848430457.db2.gz MMDFRRJTURBZDW-UHFFFAOYSA-N 2 1 391.515 3.777 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657690606 848634646 /nfs/dbraw/zinc/63/46/46/848634646.db2.gz PLCDCBCEYOIBMP-YTFSRNRJSA-N 2 1 378.564 3.918 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657690606 848634650 /nfs/dbraw/zinc/63/46/50/848634650.db2.gz PLCDCBCEYOIBMP-YTFSRNRJSA-N 2 1 378.564 3.918 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078954319 848757705 /nfs/dbraw/zinc/75/77/05/848757705.db2.gz MMEDKDQIBDXYKH-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079528 849027782 /nfs/dbraw/zinc/02/77/82/849027782.db2.gz YFRPLTKGUSMCLT-WMZOPIPTSA-N 2 1 380.960 3.585 20 0 GHADMP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604209276 861994159 /nfs/dbraw/zinc/99/41/59/861994159.db2.gz NKPFTUPXAPRECU-MZYLBHOOSA-N 2 1 398.595 3.523 20 0 GHADMP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604209276 861994172 /nfs/dbraw/zinc/99/41/72/861994172.db2.gz NKPFTUPXAPRECU-MZYLBHOOSA-N 2 1 398.595 3.523 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000154326339 849242072 /nfs/dbraw/zinc/24/20/72/849242072.db2.gz DMEDDBIUIAMXHB-KGVIQGDOSA-N 2 1 382.552 3.624 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000555855794 862007353 /nfs/dbraw/zinc/00/73/53/862007353.db2.gz FFGFSLYHXFWUSM-PKTZIBPZSA-N 2 1 394.563 3.707 20 0 GHADMP CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000124920027 849410129 /nfs/dbraw/zinc/41/01/29/849410129.db2.gz IGZFLZCKDYILJS-KRWDZBQOSA-N 2 1 392.503 3.546 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000583333200 849645433 /nfs/dbraw/zinc/64/54/33/849645433.db2.gz IUYBNMUWVSXZQG-OEYYQIPYSA-N 2 1 395.591 3.953 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1Br ZINC000423205203 849804801 /nfs/dbraw/zinc/80/48/01/849804801.db2.gz DWFZQZBOVKYOKU-QWRGUYRKSA-N 2 1 376.136 3.862 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000505580463 849935374 /nfs/dbraw/zinc/93/53/74/849935374.db2.gz GTTUQFJAASZABQ-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000505580463 849935380 /nfs/dbraw/zinc/93/53/80/849935380.db2.gz GTTUQFJAASZABQ-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000505580463 849935389 /nfs/dbraw/zinc/93/53/89/849935389.db2.gz GTTUQFJAASZABQ-RUZDIDTESA-N 2 1 391.559 3.877 20 0 GHADMP Brc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)cc1 ZINC000423501856 849944292 /nfs/dbraw/zinc/94/42/92/849944292.db2.gz DETXQBOIJHADPT-MHJFOBGBSA-N 2 1 392.385 3.706 20 0 GHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000522551504 862074418 /nfs/dbraw/zinc/07/44/18/862074418.db2.gz LIYFZBQJXCQONY-FUHWJXTLSA-N 2 1 385.474 3.748 20 0 GHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000522551504 862074428 /nfs/dbraw/zinc/07/44/28/862074428.db2.gz LIYFZBQJXCQONY-FUHWJXTLSA-N 2 1 385.474 3.748 20 0 GHADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(-n2cncn2)cc1Cl ZINC000423519838 849964531 /nfs/dbraw/zinc/96/45/31/849964531.db2.gz DQCOLNOORLVNKK-PUGNBPNRSA-N 2 1 385.943 3.725 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCc1ccc(F)cc1 ZINC000261924557 850018771 /nfs/dbraw/zinc/01/87/71/850018771.db2.gz BZHHKWAGMSBBLB-UHFFFAOYSA-N 2 1 384.495 3.989 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423835495 850069301 /nfs/dbraw/zinc/06/93/01/850069301.db2.gz VKAVBXNTYULAML-ROOHIHILSA-N 2 1 389.902 3.922 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000423914334 850099235 /nfs/dbraw/zinc/09/92/35/850099235.db2.gz XTMLXVFMJRQUQQ-NMNUPHIUSA-N 2 1 377.532 3.833 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1O ZINC000426426732 850111011 /nfs/dbraw/zinc/11/10/11/850111011.db2.gz ZREFJJHUXXNDHZ-RBUKOAKNSA-N 2 1 398.547 3.732 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1O ZINC000426426732 850111023 /nfs/dbraw/zinc/11/10/23/850111023.db2.gz ZREFJJHUXXNDHZ-RBUKOAKNSA-N 2 1 398.547 3.732 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000506614634 850111559 /nfs/dbraw/zinc/11/15/59/850111559.db2.gz XFGVGFHAIKBPIB-GUDVDZBRSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000506614634 850111567 /nfs/dbraw/zinc/11/15/67/850111567.db2.gz XFGVGFHAIKBPIB-GUDVDZBRSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000506614634 850111576 /nfs/dbraw/zinc/11/15/76/850111576.db2.gz XFGVGFHAIKBPIB-GUDVDZBRSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000506614634 850111583 /nfs/dbraw/zinc/11/15/83/850111583.db2.gz XFGVGFHAIKBPIB-GUDVDZBRSA-N 2 1 380.960 3.666 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(OC)c1O ZINC000668713673 850265426 /nfs/dbraw/zinc/26/54/26/850265426.db2.gz XPKQAQDOZKJZBW-HXUWFJFHSA-N 2 1 396.531 3.801 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000424189071 850281154 /nfs/dbraw/zinc/28/11/54/850281154.db2.gz MTHPSURDLMWBIX-URXFXBBRSA-N 2 1 393.575 3.768 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000424189071 850281158 /nfs/dbraw/zinc/28/11/58/850281158.db2.gz MTHPSURDLMWBIX-URXFXBBRSA-N 2 1 393.575 3.768 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000514831581 850364080 /nfs/dbraw/zinc/36/40/80/850364080.db2.gz DHHCQUHWGJDTKJ-KQXORWHBSA-N 2 1 393.522 3.649 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000514831581 850364091 /nfs/dbraw/zinc/36/40/91/850364091.db2.gz DHHCQUHWGJDTKJ-KQXORWHBSA-N 2 1 393.522 3.649 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC[NH2+]CC2 ZINC000424302098 850371946 /nfs/dbraw/zinc/37/19/46/850371946.db2.gz YXUYZQDXVKGZQL-GCJKJVERSA-N 2 1 397.588 3.808 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN3C[C@@H]4CC[NH+](Cc5ccccc5)[C@@H]4C3)sc2C1 ZINC000425347358 850375112 /nfs/dbraw/zinc/37/51/12/850375112.db2.gz HQLCOTZBCRXOFH-PZJWPPBQSA-N 2 1 396.604 3.616 20 0 GHADMP CC(C)[NH+]1CCc2nc(CN3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)sc2C1 ZINC000425347358 850375120 /nfs/dbraw/zinc/37/51/20/850375120.db2.gz HQLCOTZBCRXOFH-PZJWPPBQSA-N 2 1 396.604 3.616 20 0 GHADMP CC(C)[NH+]1CCc2nc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)sc2C1 ZINC000425347358 850375133 /nfs/dbraw/zinc/37/51/33/850375133.db2.gz HQLCOTZBCRXOFH-PZJWPPBQSA-N 2 1 396.604 3.616 20 0 GHADMP CCOc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000424375822 850413932 /nfs/dbraw/zinc/41/39/32/850413932.db2.gz KDLSJYFLFXHLEY-OAHLLOKOSA-N 2 1 386.458 3.990 20 0 GHADMP COc1ccc(OCc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000435373624 850420712 /nfs/dbraw/zinc/42/07/12/850420712.db2.gz FOMYWGLWPYCEIR-HXUWFJFHSA-N 2 1 387.549 3.695 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC000435368304 850434698 /nfs/dbraw/zinc/43/46/98/850434698.db2.gz AKTBPRLTGAYMCS-UHFFFAOYSA-N 2 1 376.504 3.530 20 0 GHADMP O[C@H]1CC[N@H+](C2CC[NH+](CC(Cc3ccccc3)Cc3ccccc3)CC2)C1 ZINC000668738478 850441799 /nfs/dbraw/zinc/44/17/99/850441799.db2.gz DLHUPBDSHPESGA-VWLOTQADSA-N 2 1 378.560 3.619 20 0 GHADMP COc1cccc(COCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000518977318 850444701 /nfs/dbraw/zinc/44/47/01/850444701.db2.gz KLQCJXDVPPZDQJ-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP COc1cccc(COCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000518977318 850444714 /nfs/dbraw/zinc/44/47/14/850444714.db2.gz KLQCJXDVPPZDQJ-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000424442261 850452982 /nfs/dbraw/zinc/45/29/82/850452982.db2.gz XVKDEMPFKUWXIH-UHFFFAOYSA-N 2 1 380.536 3.830 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000424428048 850463511 /nfs/dbraw/zinc/46/35/11/850463511.db2.gz RNWKHKDIWWCQIS-OAQYLSRUSA-N 2 1 380.536 3.876 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000440008897 850696504 /nfs/dbraw/zinc/69/65/04/850696504.db2.gz YOOLWAJITYMHSQ-DENIHFKCSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440008897 850696505 /nfs/dbraw/zinc/69/65/05/850696505.db2.gz YOOLWAJITYMHSQ-DENIHFKCSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440008897 850696510 /nfs/dbraw/zinc/69/65/10/850696510.db2.gz YOOLWAJITYMHSQ-DENIHFKCSA-N 2 1 375.601 3.897 20 0 GHADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000514111605 851250661 /nfs/dbraw/zinc/25/06/61/851250661.db2.gz SFJVMBDFNYDEOJ-UHFFFAOYSA-N 2 1 396.373 3.832 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167968347 851259466 /nfs/dbraw/zinc/25/94/66/851259466.db2.gz QBVZFNOSUBMZML-SEJPIABJSA-N 2 1 391.563 3.594 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000514122258 851288959 /nfs/dbraw/zinc/28/89/59/851288959.db2.gz GMWKNISGRXVCAC-AABGKKOBSA-N 2 1 380.621 3.554 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Cl)cc3Br)CC2)C1 ZINC000415117786 851352534 /nfs/dbraw/zinc/35/25/34/851352534.db2.gz CIMUOGVCPSWMPH-RDJZCZTQSA-N 2 1 387.749 3.821 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000436291290 851425880 /nfs/dbraw/zinc/42/58/80/851425880.db2.gz PVQXBPDGRLOPJX-DHIUTWEWSA-N 2 1 377.532 3.500 20 0 GHADMP CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110914742 851479366 /nfs/dbraw/zinc/47/93/66/851479366.db2.gz DLXCOVOUYRWCRK-UHFFFAOYSA-N 2 1 397.538 3.628 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2ccccc2)C[C@H](C)O1 ZINC000048816736 851498131 /nfs/dbraw/zinc/49/81/31/851498131.db2.gz VSIIEZMRGDPSBI-KDURUIRLSA-N 2 1 390.531 3.976 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@H](C)O1 ZINC000048816747 851498476 /nfs/dbraw/zinc/49/84/76/851498476.db2.gz FYCKXLHSONFAFD-BGYRXZFFSA-N 2 1 390.531 3.771 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000488475048 851526820 /nfs/dbraw/zinc/52/68/20/851526820.db2.gz GVSDKAUZPGEXOC-REWPJTCUSA-N 2 1 398.595 3.648 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167960742 851554496 /nfs/dbraw/zinc/55/44/96/851554496.db2.gz BAPALMBLUQNLJW-RAFMOHDBSA-N 2 1 389.584 3.771 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000488532327 851589100 /nfs/dbraw/zinc/58/91/00/851589100.db2.gz NCIOGQUPCWLJFZ-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974226 851676571 /nfs/dbraw/zinc/67/65/71/851676571.db2.gz RONKHGKWKGHBMW-PBFIGNTFSA-N 2 1 399.582 3.968 20 0 GHADMP CC1CC[NH+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111509125 851720756 /nfs/dbraw/zinc/72/07/56/851720756.db2.gz RRGJSVKJTLUVTK-NOTZXAQLSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001167982066 852016518 /nfs/dbraw/zinc/01/65/18/852016518.db2.gz VBNYNYLRYBSPQH-IFNDBITQSA-N 2 1 377.573 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167962421 852037988 /nfs/dbraw/zinc/03/79/88/852037988.db2.gz XSMSXKXQWOKRBV-IQWRZIDRSA-N 2 1 377.573 3.817 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000550227716 852053406 /nfs/dbraw/zinc/05/34/06/852053406.db2.gz JDOQVAASKVLKSV-NZQKXSOJSA-N 2 1 379.548 3.666 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000550227716 852053408 /nfs/dbraw/zinc/05/34/08/852053408.db2.gz JDOQVAASKVLKSV-NZQKXSOJSA-N 2 1 379.548 3.666 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000102012514 852115146 /nfs/dbraw/zinc/11/51/46/852115146.db2.gz QSYNQOJIIZTDLH-SFHVURJKSA-N 2 1 392.613 3.524 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180760809 862323825 /nfs/dbraw/zinc/32/38/25/862323825.db2.gz XWVLGAJDOYMONF-OALUTQOASA-N 2 1 395.950 3.851 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180760809 862323844 /nfs/dbraw/zinc/32/38/44/862323844.db2.gz XWVLGAJDOYMONF-OALUTQOASA-N 2 1 395.950 3.851 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000516162601 852204635 /nfs/dbraw/zinc/20/46/35/852204635.db2.gz QDCYNBMBONADOA-COPCDDAFSA-N 2 1 386.584 3.632 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000180784425 862337753 /nfs/dbraw/zinc/33/77/53/862337753.db2.gz IVZWZICTCHWKIH-PXDATVDWSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000180784425 862337773 /nfs/dbraw/zinc/33/77/73/862337773.db2.gz IVZWZICTCHWKIH-PXDATVDWSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000180784425 862337790 /nfs/dbraw/zinc/33/77/90/862337790.db2.gz IVZWZICTCHWKIH-PXDATVDWSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000180784425 862337808 /nfs/dbraw/zinc/33/78/08/862337808.db2.gz IVZWZICTCHWKIH-PXDATVDWSA-N 2 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000180784425 862337827 /nfs/dbraw/zinc/33/78/27/862337827.db2.gz IVZWZICTCHWKIH-PXDATVDWSA-N 2 1 396.623 3.666 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000517702651 852289714 /nfs/dbraw/zinc/28/97/14/852289714.db2.gz IMPVFQZVSWGQPS-SIKLNZKXSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000517702651 852289723 /nfs/dbraw/zinc/28/97/23/852289723.db2.gz IMPVFQZVSWGQPS-SIKLNZKXSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000517702651 852289730 /nfs/dbraw/zinc/28/97/30/852289730.db2.gz IMPVFQZVSWGQPS-SIKLNZKXSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000506948982 852374126 /nfs/dbraw/zinc/37/41/26/852374126.db2.gz HOIYIKUUNUDREO-NJDAHSKKSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000506948982 852374132 /nfs/dbraw/zinc/37/41/32/852374132.db2.gz HOIYIKUUNUDREO-NJDAHSKKSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000506948982 852374143 /nfs/dbraw/zinc/37/41/43/852374143.db2.gz HOIYIKUUNUDREO-NJDAHSKKSA-N 2 1 392.632 3.793 20 0 GHADMP COCCOc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000516347928 852452680 /nfs/dbraw/zinc/45/26/80/852452680.db2.gz JTYLQFCPKYESEX-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000516347928 852452699 /nfs/dbraw/zinc/45/26/99/852452699.db2.gz JTYLQFCPKYESEX-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000516347928 852452704 /nfs/dbraw/zinc/45/27/04/852452704.db2.gz JTYLQFCPKYESEX-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000489716378 852542833 /nfs/dbraw/zinc/54/28/33/852542833.db2.gz OSILOQNRZDCSOE-GCJKJVERSA-N 2 1 395.522 3.953 20 0 GHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000489854630 852609335 /nfs/dbraw/zinc/60/93/35/852609335.db2.gz BWGZEEJSHLYISJ-UHFFFAOYSA-N 2 1 397.567 3.577 20 0 GHADMP Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489854630 852609342 /nfs/dbraw/zinc/60/93/42/852609342.db2.gz BWGZEEJSHLYISJ-UHFFFAOYSA-N 2 1 397.567 3.577 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000489937286 852656306 /nfs/dbraw/zinc/65/63/06/852656306.db2.gz UDMHJJCBTRGFNP-OAQYLSRUSA-N 2 1 385.577 3.769 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cc2)C1 ZINC000293923504 852750284 /nfs/dbraw/zinc/75/02/84/852750284.db2.gz XMWVCUCULRJWOF-OSFYOIPJSA-N 2 1 392.609 3.612 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000507380934 852837595 /nfs/dbraw/zinc/83/75/95/852837595.db2.gz QXYSBNMLTGWABX-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000507380934 852837603 /nfs/dbraw/zinc/83/76/03/852837603.db2.gz QXYSBNMLTGWABX-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000507380934 852837610 /nfs/dbraw/zinc/83/76/10/852837610.db2.gz QXYSBNMLTGWABX-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000507439262 852914946 /nfs/dbraw/zinc/91/49/46/852914946.db2.gz CIHRAMMKMWRFBI-FUPPJEDESA-N 2 1 392.547 3.549 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507439262 852914951 /nfs/dbraw/zinc/91/49/51/852914951.db2.gz CIHRAMMKMWRFBI-FUPPJEDESA-N 2 1 392.547 3.549 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000516765435 852974318 /nfs/dbraw/zinc/97/43/18/852974318.db2.gz CVJYECVZWZXSGF-AUSIDOKSSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000516765435 852974331 /nfs/dbraw/zinc/97/43/31/852974331.db2.gz CVJYECVZWZXSGF-AUSIDOKSSA-N 2 1 379.548 3.838 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595410 853029744 /nfs/dbraw/zinc/02/97/44/853029744.db2.gz HHFPDQVGXABIJL-CEWLAPEOSA-N 2 1 398.551 3.625 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000414905244 853129122 /nfs/dbraw/zinc/12/91/22/853129122.db2.gz OFCSTSJTAMIRFF-SXLOBPIMSA-N 2 1 381.524 3.646 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000414905248 853136883 /nfs/dbraw/zinc/13/68/83/853136883.db2.gz OFCSTSJTAMIRFF-YSIASYRMSA-N 2 1 381.524 3.646 20 0 GHADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)COCc1ccccc1 ZINC000623828063 862442193 /nfs/dbraw/zinc/44/21/93/862442193.db2.gz HSBDUGAGOHTVTA-BJKOFHAPSA-N 2 1 394.559 3.741 20 0 GHADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)COCc1ccccc1 ZINC000623828063 862442207 /nfs/dbraw/zinc/44/22/07/862442207.db2.gz HSBDUGAGOHTVTA-BJKOFHAPSA-N 2 1 394.559 3.741 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000518363583 853250754 /nfs/dbraw/zinc/25/07/54/853250754.db2.gz ZMTIEUFDLIDMKI-CVDCTZTESA-N 2 1 388.600 3.837 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437632523 853339990 /nfs/dbraw/zinc/33/99/90/853339990.db2.gz BEXGLFMZWIEQJD-FPOVZHCZSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437632523 853339998 /nfs/dbraw/zinc/33/99/98/853339998.db2.gz BEXGLFMZWIEQJD-FPOVZHCZSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437632523 853340003 /nfs/dbraw/zinc/34/00/03/853340003.db2.gz BEXGLFMZWIEQJD-FPOVZHCZSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437632418 853340603 /nfs/dbraw/zinc/34/06/03/853340603.db2.gz GQLWEIFGQIRAAN-PZJWPPBQSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437632418 853340610 /nfs/dbraw/zinc/34/06/10/853340610.db2.gz GQLWEIFGQIRAAN-PZJWPPBQSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437632418 853340620 /nfs/dbraw/zinc/34/06/20/853340620.db2.gz GQLWEIFGQIRAAN-PZJWPPBQSA-N 2 1 378.605 3.737 20 0 GHADMP CC1(C)C[N@@H+](CCOC2CCOCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000625581587 862459216 /nfs/dbraw/zinc/45/92/16/862459216.db2.gz RLWLTTRQYHHEEK-QHCPKHFHSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993691 853393808 /nfs/dbraw/zinc/39/38/08/853393808.db2.gz IDUHCNNWFWEEBM-NZQKXSOJSA-N 2 1 381.564 3.567 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000439200756 853415443 /nfs/dbraw/zinc/41/54/43/853415443.db2.gz RKGASJVCVCJOHC-PMOQBDJRSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000439200756 853415453 /nfs/dbraw/zinc/41/54/53/853415453.db2.gz RKGASJVCVCJOHC-PMOQBDJRSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000439200756 853415458 /nfs/dbraw/zinc/41/54/58/853415458.db2.gz RKGASJVCVCJOHC-PMOQBDJRSA-N 2 1 398.595 3.687 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC000491152365 853472735 /nfs/dbraw/zinc/47/27/35/853472735.db2.gz ZFBRBOGJQLUWFU-JUXOCIIHSA-N 2 1 386.584 3.502 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@H](C)C3CCCCC3)CC2)CC1 ZINC000519782509 853488052 /nfs/dbraw/zinc/48/80/52/853488052.db2.gz UOALYGCJJLSINC-OALUTQOASA-N 2 1 377.617 3.904 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000518637992 853598290 /nfs/dbraw/zinc/59/82/90/853598290.db2.gz JHVCWGLENAUVFW-WMZHIEFXSA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000518637992 853598298 /nfs/dbraw/zinc/59/82/98/853598298.db2.gz JHVCWGLENAUVFW-WMZHIEFXSA-N 2 1 379.548 3.980 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377405 853611902 /nfs/dbraw/zinc/61/19/02/853611902.db2.gz GIWGSOFRPVJOED-UHFFFAOYSA-N 2 1 382.596 3.632 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377405 853611905 /nfs/dbraw/zinc/61/19/05/853611905.db2.gz GIWGSOFRPVJOED-UHFFFAOYSA-N 3 1 382.596 3.632 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168377405 853611910 /nfs/dbraw/zinc/61/19/10/853611910.db2.gz GIWGSOFRPVJOED-UHFFFAOYSA-N 3 1 382.596 3.632 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(OCc3ccccc3)cn2)no1 ZINC001212144998 853656682 /nfs/dbraw/zinc/65/66/82/853656682.db2.gz IVPKGJGXWKZMMH-IBGZPJMESA-N 2 1 395.507 3.879 20 0 GHADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000570931517 853674631 /nfs/dbraw/zinc/67/46/31/853674631.db2.gz TWZJVQBMYGNXSL-JZGRTCEGSA-N 2 1 397.485 3.593 20 0 GHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000571344598 853848857 /nfs/dbraw/zinc/84/88/57/853848857.db2.gz VLTQCHSSDQPNPI-INIZCTEOSA-N 2 1 379.426 3.945 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)CC1 ZINC000441064375 853863797 /nfs/dbraw/zinc/86/37/97/853863797.db2.gz NLDXLLXOWRMOAA-UHFFFAOYSA-N 2 1 394.563 3.864 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989331 854017216 /nfs/dbraw/zinc/01/72/16/854017216.db2.gz XMUBOYHAWDFQEG-DYYNAXKSSA-N 3 1 379.592 3.764 20 0 GHADMP Cc1ccc(CN2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989331 854017218 /nfs/dbraw/zinc/01/72/18/854017218.db2.gz XMUBOYHAWDFQEG-DYYNAXKSSA-N 2 1 379.592 3.764 20 0 GHADMP Cc1ccc(CN2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989331 854017219 /nfs/dbraw/zinc/01/72/19/854017219.db2.gz XMUBOYHAWDFQEG-DYYNAXKSSA-N 2 1 379.592 3.764 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@@H]2CCC[C@@H]21 ZINC000571748791 854038397 /nfs/dbraw/zinc/03/83/97/854038397.db2.gz HCTCBABLKJPHOR-VABKMULXSA-N 2 1 394.563 3.768 20 0 GHADMP CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000571805462 854161445 /nfs/dbraw/zinc/16/14/45/854161445.db2.gz DEUPQUSBSXEZTF-UHFFFAOYSA-N 2 1 377.536 3.968 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc2c(cccc2Cl)c1C ZINC000505818117 862553238 /nfs/dbraw/zinc/55/32/38/862553238.db2.gz MIWQNLIEASTEIL-MRXNPFEDSA-N 2 1 391.943 3.883 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000588641290 854323446 /nfs/dbraw/zinc/32/34/46/854323446.db2.gz BKXJXXUBUZUEJO-UYAOXDASSA-N 2 1 377.548 3.664 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000572047558 854344262 /nfs/dbraw/zinc/34/42/62/854344262.db2.gz MOYIHLOULHWWKU-QDSKXPNFSA-N 2 1 391.559 3.596 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000572047558 854344272 /nfs/dbraw/zinc/34/42/72/854344272.db2.gz MOYIHLOULHWWKU-QDSKXPNFSA-N 2 1 391.559 3.596 20 0 GHADMP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588711286 854369468 /nfs/dbraw/zinc/36/94/68/854369468.db2.gz XYXKGQMLJQHYGD-KZNAEPCWSA-N 2 1 384.524 3.619 20 0 GHADMP CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473962755 854427925 /nfs/dbraw/zinc/42/79/25/854427925.db2.gz GMJADBBFNJZXDA-JQVVWYNYSA-N 2 1 397.567 3.695 20 0 GHADMP CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473962755 854427933 /nfs/dbraw/zinc/42/79/33/854427933.db2.gz GMJADBBFNJZXDA-JQVVWYNYSA-N 2 1 397.567 3.695 20 0 GHADMP CCSc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000629533021 862569037 /nfs/dbraw/zinc/56/90/37/862569037.db2.gz DCIFTTVZGIKTCK-OAHLLOKOSA-N 2 1 399.398 3.748 20 0 GHADMP CCSc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000629533021 862569041 /nfs/dbraw/zinc/56/90/41/862569041.db2.gz DCIFTTVZGIKTCK-OAHLLOKOSA-N 2 1 399.398 3.748 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000671769596 854591019 /nfs/dbraw/zinc/59/10/19/854591019.db2.gz KYOOTCWXGJSWJO-UHFFFAOYSA-N 2 1 391.357 3.678 20 0 GHADMP CC(C)=CCC[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458976571 854999290 /nfs/dbraw/zinc/99/92/90/854999290.db2.gz LEVMWJIZZAOOOJ-FQEVSTJZSA-N 2 1 392.632 3.959 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189044555 855014758 /nfs/dbraw/zinc/01/47/58/855014758.db2.gz CFFIKGHYLWBWDS-HDYDNRTBSA-N 2 1 397.563 3.838 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000674012315 862650342 /nfs/dbraw/zinc/65/03/42/862650342.db2.gz OFTWNHKYBYXZFX-QFIPXVFZSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000441479172 855234141 /nfs/dbraw/zinc/23/41/41/855234141.db2.gz PXWPAHHHIDQBER-GIWBLDEGSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000441479172 855234147 /nfs/dbraw/zinc/23/41/47/855234147.db2.gz PXWPAHHHIDQBER-GIWBLDEGSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000441479172 855234156 /nfs/dbraw/zinc/23/41/56/855234156.db2.gz PXWPAHHHIDQBER-GIWBLDEGSA-N 2 1 383.580 3.682 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Cc1ccccc1 ZINC000647987341 855468679 /nfs/dbraw/zinc/46/86/79/855468679.db2.gz UIMRFRYZOVTJCZ-FGZHOGPDSA-N 2 1 377.532 3.537 20 0 GHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000536428835 855471232 /nfs/dbraw/zinc/47/12/32/855471232.db2.gz WKZGCQOXLJVEPW-QFIPXVFZSA-N 2 1 384.568 3.554 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]12 ZINC001168001879 855530457 /nfs/dbraw/zinc/53/04/57/855530457.db2.gz JXTNJUSRUYHSNV-SJZUESHLSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]12 ZINC001168001879 855530459 /nfs/dbraw/zinc/53/04/59/855530459.db2.gz JXTNJUSRUYHSNV-SJZUESHLSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]12 ZINC001168001879 855530462 /nfs/dbraw/zinc/53/04/62/855530462.db2.gz JXTNJUSRUYHSNV-SJZUESHLSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)[NH+](C)CC1CC[NH+](C/C=C\C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000590786183 855584538 /nfs/dbraw/zinc/58/45/38/855584538.db2.gz FWLOKWKEFCCGNO-FPLPWBNLSA-N 4 1 392.676 3.647 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC(C)C)c1cccs1 ZINC000465707820 855636431 /nfs/dbraw/zinc/63/64/31/855636431.db2.gz APSIRRWAFKONAI-RTBURBONSA-N 2 1 394.629 3.893 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000573026790 855693433 /nfs/dbraw/zinc/69/34/33/855693433.db2.gz XKEIOKBUERBMSU-IBGZPJMESA-N 2 1 383.536 3.792 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000573026790 855693439 /nfs/dbraw/zinc/69/34/39/855693439.db2.gz XKEIOKBUERBMSU-IBGZPJMESA-N 2 1 383.536 3.792 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000573026790 855693444 /nfs/dbraw/zinc/69/34/44/855693444.db2.gz XKEIOKBUERBMSU-IBGZPJMESA-N 2 1 383.536 3.792 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000573026790 855693452 /nfs/dbraw/zinc/69/34/52/855693452.db2.gz XKEIOKBUERBMSU-IBGZPJMESA-N 2 1 383.536 3.792 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000455929029 862715704 /nfs/dbraw/zinc/71/57/04/862715704.db2.gz OBRSURYXXGJXRR-QRWLVFNGSA-N 2 1 398.576 3.865 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000455929029 862715709 /nfs/dbraw/zinc/71/57/09/862715709.db2.gz OBRSURYXXGJXRR-QRWLVFNGSA-N 2 1 398.576 3.865 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000520620327 855807016 /nfs/dbraw/zinc/80/70/16/855807016.db2.gz YBOCSDQARHGQMK-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168005116 855867356 /nfs/dbraw/zinc/86/73/56/855867356.db2.gz GBUFLLVJJJYGPQ-RMFSNUHRSA-N 2 1 387.568 3.885 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CCCCC1 ZINC000669401830 855869491 /nfs/dbraw/zinc/86/94/91/855869491.db2.gz MSNMRONTLAZOHQ-PMVMPFDFSA-N 2 1 398.595 3.720 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1)CC1CC1 ZINC000459120027 855871181 /nfs/dbraw/zinc/87/11/81/855871181.db2.gz XKIAVXRHWPRAKU-UHFFFAOYSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(O)c(C(F)(F)F)c3)CC2)CC1 ZINC000573265106 856034933 /nfs/dbraw/zinc/03/49/33/856034933.db2.gz ROXRQDXFPLQLTC-UHFFFAOYSA-N 2 1 399.457 3.546 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1sccc1Br ZINC000542848830 856127115 /nfs/dbraw/zinc/12/71/15/856127115.db2.gz GYNJBGKQGFNZKQ-CZUORRHYSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1sccc1Br ZINC000542848830 856127123 /nfs/dbraw/zinc/12/71/23/856127123.db2.gz GYNJBGKQGFNZKQ-CZUORRHYSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C1CC1 ZINC000591570154 856156392 /nfs/dbraw/zinc/15/63/92/856156392.db2.gz INQANBXEJGUZPC-SFHVURJKSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[N@H+](C)C1CC1 ZINC000591570154 856156399 /nfs/dbraw/zinc/15/63/99/856156399.db2.gz INQANBXEJGUZPC-SFHVURJKSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[N@@H+](C)C1CC1 ZINC000591570154 856156407 /nfs/dbraw/zinc/15/64/07/856156407.db2.gz INQANBXEJGUZPC-SFHVURJKSA-N 2 1 386.584 3.733 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000700809964 856196453 /nfs/dbraw/zinc/19/64/53/856196453.db2.gz XNYXLKOAWSUSDL-IYWMVGAKSA-N 2 1 379.589 3.876 20 0 GHADMP O=C(Nc1ccc(-c2ccccc2)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905294688 856238167 /nfs/dbraw/zinc/23/81/67/856238167.db2.gz HNHIUJFPBRWABU-ZRZAMGCNSA-N 2 1 390.531 3.786 20 0 GHADMP CCOc1c(Cl)cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000067453082 856281955 /nfs/dbraw/zinc/28/19/55/856281955.db2.gz GBODYWAEZINYOJ-IYBDPMFKSA-N 2 1 384.948 3.726 20 0 GHADMP CN(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608248937 856283591 /nfs/dbraw/zinc/28/35/91/856283591.db2.gz NVYGBSFIJSNKBD-DENIHFKCSA-N 2 1 399.966 3.923 20 0 GHADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000608248937 856283599 /nfs/dbraw/zinc/28/35/99/856283599.db2.gz NVYGBSFIJSNKBD-DENIHFKCSA-N 2 1 399.966 3.923 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000608248937 856283607 /nfs/dbraw/zinc/28/36/07/856283607.db2.gz NVYGBSFIJSNKBD-DENIHFKCSA-N 2 1 399.966 3.923 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485301663 856331190 /nfs/dbraw/zinc/33/11/90/856331190.db2.gz CTACQXLYXKPNMK-DHIUTWEWSA-N 2 1 398.595 3.559 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168573610 856368676 /nfs/dbraw/zinc/36/86/76/856368676.db2.gz RJWNHOWKDAHIPA-LSDHHAIUSA-N 2 1 381.483 3.590 20 0 GHADMP C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485356636 856392567 /nfs/dbraw/zinc/39/25/67/856392567.db2.gz KDKHYSJTUJXVFU-XKCSPQBFSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485356636 856392576 /nfs/dbraw/zinc/39/25/76/856392576.db2.gz KDKHYSJTUJXVFU-XKCSPQBFSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485356636 856392578 /nfs/dbraw/zinc/39/25/78/856392578.db2.gz KDKHYSJTUJXVFU-XKCSPQBFSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042929736 856473102 /nfs/dbraw/zinc/47/31/02/856473102.db2.gz XCJQZLCNARNYPF-HXUWFJFHSA-N 2 1 386.584 3.605 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000507888641 856630007 /nfs/dbraw/zinc/63/00/07/856630007.db2.gz CNJIEXJPGNONIJ-REJJAFBISA-N 2 1 385.596 3.727 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000110740135 856650452 /nfs/dbraw/zinc/65/04/52/856650452.db2.gz UZDKLJMOSQCZQE-JTHBVZDNSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000110740135 856650454 /nfs/dbraw/zinc/65/04/54/856650454.db2.gz UZDKLJMOSQCZQE-JTHBVZDNSA-N 2 1 395.547 3.641 20 0 GHADMP C[C@@]1(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC001270934506 856845687 /nfs/dbraw/zinc/84/56/87/856845687.db2.gz JZLNKZQZUOVATQ-DEOSSOPVSA-N 2 1 395.547 3.908 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(C)cc(C)nc2OC)CC1 ZINC000674877868 856880194 /nfs/dbraw/zinc/88/01/94/856880194.db2.gz AVXHIXACTMUGAZ-UHFFFAOYSA-N 2 1 382.552 3.529 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465909962 856892825 /nfs/dbraw/zinc/89/28/25/856892825.db2.gz YOZCBSGTABBEIH-DMUMMCEESA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465909962 856892896 /nfs/dbraw/zinc/89/28/96/856892896.db2.gz YOZCBSGTABBEIH-DMUMMCEESA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465909962 856892900 /nfs/dbraw/zinc/89/29/00/856892900.db2.gz YOZCBSGTABBEIH-DMUMMCEESA-N 2 1 392.613 3.693 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000482258206 862848137 /nfs/dbraw/zinc/84/81/37/862848137.db2.gz PYTNENRMQVCDOR-ZCVJKFOLSA-N 2 1 379.548 3.774 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000482258206 862848144 /nfs/dbraw/zinc/84/81/44/862848144.db2.gz PYTNENRMQVCDOR-ZCVJKFOLSA-N 2 1 379.548 3.774 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000672230742 856899689 /nfs/dbraw/zinc/89/96/89/856899689.db2.gz CSTSOHJSEDBUFV-XMMPIXPASA-N 2 1 395.547 3.860 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000569119918 856964512 /nfs/dbraw/zinc/96/45/12/856964512.db2.gz XCYODNAAZMLFES-LEWJYISDSA-N 2 1 389.971 3.508 20 0 GHADMP c1csc(-c2ccn(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)n2)n1 ZINC000766089956 857020641 /nfs/dbraw/zinc/02/06/41/857020641.db2.gz YIARSMOUFSVVTM-UHFFFAOYSA-N 2 1 393.560 3.952 20 0 GHADMP c1csc(-c2ccn(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n2)n1 ZINC000766089956 857020651 /nfs/dbraw/zinc/02/06/51/857020651.db2.gz YIARSMOUFSVVTM-UHFFFAOYSA-N 2 1 393.560 3.952 20 0 GHADMP COc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000508203794 857064872 /nfs/dbraw/zinc/06/48/72/857064872.db2.gz DXCUYHZZYQFARR-WEMPKCCASA-N 2 1 387.568 3.600 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000508203697 857066085 /nfs/dbraw/zinc/06/60/85/857066085.db2.gz IQRBJJLVZNWYGE-JTJHWIPRSA-N 2 1 387.568 3.600 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428078723 857090381 /nfs/dbraw/zinc/09/03/81/857090381.db2.gz SRUVLEZARSQDLW-LJQANCHMSA-N 2 1 385.577 3.842 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766109795 857185369 /nfs/dbraw/zinc/18/53/69/857185369.db2.gz RHGGCPAWYGDFHY-XZOQPEGZSA-N 2 1 383.580 3.766 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000520877026 857339181 /nfs/dbraw/zinc/33/91/81/857339181.db2.gz FSSPSPZCIQSHGL-NRFANRHFSA-N 2 1 398.551 3.580 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000058832698 857368929 /nfs/dbraw/zinc/36/89/29/857368929.db2.gz BEISXSLBICSEFD-QHCPKHFHSA-N 2 1 379.548 3.667 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000058832698 857368940 /nfs/dbraw/zinc/36/89/40/857368940.db2.gz BEISXSLBICSEFD-QHCPKHFHSA-N 2 1 379.548 3.667 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000058832698 857368948 /nfs/dbraw/zinc/36/89/48/857368948.db2.gz BEISXSLBICSEFD-QHCPKHFHSA-N 2 1 379.548 3.667 20 0 GHADMP CC(C)[NH+](CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000060955089 857490128 /nfs/dbraw/zinc/49/01/28/857490128.db2.gz DFINHFZNGNNMKZ-HXUWFJFHSA-N 2 1 388.600 3.837 20 0 GHADMP C[N@H+](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)Cc1ccccc1 ZINC000061503446 857525331 /nfs/dbraw/zinc/52/53/31/857525331.db2.gz CBKGDSHADSXHHK-UHFFFAOYSA-N 2 1 379.548 3.811 20 0 GHADMP C[N@@H+](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)Cc1ccccc1 ZINC000061503446 857525340 /nfs/dbraw/zinc/52/53/40/857525340.db2.gz CBKGDSHADSXHHK-UHFFFAOYSA-N 2 1 379.548 3.811 20 0 GHADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccccc1I ZINC000593322054 857529110 /nfs/dbraw/zinc/52/91/10/857529110.db2.gz LEGSEKRBJVIGDY-CYBMUJFWSA-N 2 1 380.273 3.861 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000061551117 857529867 /nfs/dbraw/zinc/52/98/67/857529867.db2.gz ZZKUJZHJNBONQS-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000521053042 857546628 /nfs/dbraw/zinc/54/66/28/857546628.db2.gz SHKMRGKXERJTHG-IBGZPJMESA-N 2 1 379.548 3.591 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000521053042 857546635 /nfs/dbraw/zinc/54/66/35/857546635.db2.gz SHKMRGKXERJTHG-IBGZPJMESA-N 2 1 379.548 3.591 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000593499564 857612906 /nfs/dbraw/zinc/61/29/06/857612906.db2.gz ZEALGJARGQSQQZ-UHFFFAOYSA-N 2 1 390.572 3.601 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000521163397 857692603 /nfs/dbraw/zinc/69/26/03/857692603.db2.gz NLDVSDYPPRRQFY-SJORKVTESA-N 2 1 380.602 3.551 20 0 GHADMP O=C(C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508795 857717879 /nfs/dbraw/zinc/71/78/79/857717879.db2.gz JQJIIYNNGQKFGY-UHFFFAOYSA-N 2 1 396.362 3.701 20 0 GHADMP O=C(C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508795 857717888 /nfs/dbraw/zinc/71/78/88/857717888.db2.gz JQJIIYNNGQKFGY-UHFFFAOYSA-N 2 1 396.362 3.701 20 0 GHADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000486487862 857786017 /nfs/dbraw/zinc/78/60/17/857786017.db2.gz KODTVEFEXCMCTH-XLIONFOSSA-N 2 1 384.520 3.713 20 0 GHADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000486487862 857786022 /nfs/dbraw/zinc/78/60/22/857786022.db2.gz KODTVEFEXCMCTH-XLIONFOSSA-N 2 1 384.520 3.713 20 0 GHADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000665281696 857789865 /nfs/dbraw/zinc/78/98/65/857789865.db2.gz JKRZOMHERGCWNR-WOJBJXKFSA-N 2 1 394.968 3.796 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccco1 ZINC000574427651 857883558 /nfs/dbraw/zinc/88/35/58/857883558.db2.gz CNHWMQTXUKMPKF-YJLNNSPDSA-N 2 1 377.916 3.781 20 0 GHADMP COc1ccc2cc(C[NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)ccc2c1 ZINC000521332855 857894529 /nfs/dbraw/zinc/89/45/29/857894529.db2.gz QUOFZWABOFKOGD-JOCHJYFZSA-N 2 1 395.572 3.988 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594186277 857990983 /nfs/dbraw/zinc/99/09/83/857990983.db2.gz JFGKYSGVWSWRSJ-SFTDATJTSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2cccc(Br)c21 ZINC000482346923 862975902 /nfs/dbraw/zinc/97/59/02/862975902.db2.gz BKKQWIZEVXBKFO-KXBFYZLASA-N 2 1 394.401 3.861 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CCSCC1 ZINC000442661924 858017573 /nfs/dbraw/zinc/01/75/73/858017573.db2.gz YNSBZFVOPZCVEP-GOSISDBHSA-N 2 1 389.609 3.505 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCSCC1 ZINC000442661924 858017584 /nfs/dbraw/zinc/01/75/84/858017584.db2.gz YNSBZFVOPZCVEP-GOSISDBHSA-N 2 1 389.609 3.505 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000922140574 858041468 /nfs/dbraw/zinc/04/14/68/858041468.db2.gz KHKYJHGJOAXZPO-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000922140574 858041472 /nfs/dbraw/zinc/04/14/72/858041472.db2.gz KHKYJHGJOAXZPO-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccsc1 ZINC000067708888 858060790 /nfs/dbraw/zinc/06/07/90/858060790.db2.gz OSGYBXACEGGNQW-XLIONFOSSA-N 2 1 389.540 3.518 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@@H](c2ccccc2)C1 ZINC000442704031 858063231 /nfs/dbraw/zinc/06/32/31/858063231.db2.gz BLRISKFRSRCLAT-CJFMBICVSA-N 2 1 388.559 3.604 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000067976641 858092030 /nfs/dbraw/zinc/09/20/30/858092030.db2.gz GVAAJRZWNITVGN-ZWKOTPCHSA-N 2 1 396.531 3.529 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)O[C@@H](C)C2 ZINC000067976641 858092036 /nfs/dbraw/zinc/09/20/36/858092036.db2.gz GVAAJRZWNITVGN-ZWKOTPCHSA-N 2 1 396.531 3.529 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1(C)C ZINC000442870992 858187870 /nfs/dbraw/zinc/18/78/70/858187870.db2.gz FBOHAHHUAVHGBR-GOSISDBHSA-N 2 1 394.401 3.787 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c2ccccc2)CC1 ZINC000521628694 858195829 /nfs/dbraw/zinc/19/58/29/858195829.db2.gz ZXMNCADZZIBJQL-GOTSBHOMSA-N 2 1 379.548 3.879 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2cccc(Br)c21 ZINC000442879440 858201613 /nfs/dbraw/zinc/20/16/13/858201613.db2.gz VZEPYVLGGQIYRD-RHSMWYFYSA-N 2 1 380.374 3.613 20 0 GHADMP CCC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000442883916 858205054 /nfs/dbraw/zinc/20/50/54/858205054.db2.gz WRHMKUYZADQYMX-UHFFFAOYSA-N 2 1 396.461 3.716 20 0 GHADMP CCC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000442883916 858205056 /nfs/dbraw/zinc/20/50/56/858205056.db2.gz WRHMKUYZADQYMX-UHFFFAOYSA-N 2 1 396.461 3.716 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594518198 858207056 /nfs/dbraw/zinc/20/70/56/858207056.db2.gz CKDKYJUOOZSVQL-OJAHFUOMSA-N 2 1 394.600 3.612 20 0 GHADMP CN(C)[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608613 863015061 /nfs/dbraw/zinc/01/50/61/863015061.db2.gz SDXAUPZJOVNGTJ-JTHBVZDNSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608613 863015070 /nfs/dbraw/zinc/01/50/70/863015070.db2.gz SDXAUPZJOVNGTJ-JTHBVZDNSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608613 863015078 /nfs/dbraw/zinc/01/50/78/863015078.db2.gz SDXAUPZJOVNGTJ-JTHBVZDNSA-N 2 1 399.966 3.971 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000191070263 858455549 /nfs/dbraw/zinc/45/55/49/858455549.db2.gz YWYGOKQVJWNIMS-FQEVSTJZSA-N 2 1 378.438 3.870 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)CC[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000575064632 858509625 /nfs/dbraw/zinc/50/96/25/858509625.db2.gz HBMKZASRRDDRDZ-PKOBYXMFSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CC[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000575064632 858509631 /nfs/dbraw/zinc/50/96/31/858509631.db2.gz HBMKZASRRDDRDZ-PKOBYXMFSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CC[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000575064632 858509637 /nfs/dbraw/zinc/50/96/37/858509637.db2.gz HBMKZASRRDDRDZ-PKOBYXMFSA-N 2 1 377.598 3.601 20 0 GHADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000575120256 858571524 /nfs/dbraw/zinc/57/15/24/858571524.db2.gz XWMREPGASKBZGJ-UHFFFAOYSA-N 2 1 385.939 3.965 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000595625873 858621452 /nfs/dbraw/zinc/62/14/52/858621452.db2.gz DLTZTXYEJLHDFA-QFIPXVFZSA-N 2 1 386.584 3.605 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474064097 858749003 /nfs/dbraw/zinc/74/90/03/858749003.db2.gz XZPGCLIRXRKNNX-TZRRMPRUSA-N 2 1 385.596 3.509 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000183689746 858797958 /nfs/dbraw/zinc/79/79/58/858797958.db2.gz VLXCMULBDSGETG-WMLDXEAASA-N 2 1 394.441 3.632 20 0 GHADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000532187406 881361930 /nfs/dbraw/zinc/36/19/30/881361930.db2.gz DJPPXPKACISRMF-GOEBONIOSA-N 2 1 378.611 3.715 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1Br ZINC000487432020 858965215 /nfs/dbraw/zinc/96/52/15/858965215.db2.gz RTZAZTZMUSPIAO-UHFFFAOYSA-N 2 1 390.325 3.825 20 0 GHADMP CCC[N@H+](CCOc1cccc(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000443582623 858991109 /nfs/dbraw/zinc/99/11/09/858991109.db2.gz NYNANAXLIFZATC-UHFFFAOYSA-N 2 1 398.551 3.862 20 0 GHADMP CCC[N@@H+](CCOc1cccc(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000443582623 858991116 /nfs/dbraw/zinc/99/11/16/858991116.db2.gz NYNANAXLIFZATC-UHFFFAOYSA-N 2 1 398.551 3.862 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000466300100 859024025 /nfs/dbraw/zinc/02/40/25/859024025.db2.gz WCFXKDWENYJIBA-YADHBBJMSA-N 2 1 390.616 3.549 20 0 GHADMP C[C@H](CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000184988770 859029672 /nfs/dbraw/zinc/02/96/72/859029672.db2.gz WWDRCVHHHYCWDV-MOPGFXCFSA-N 2 1 392.613 3.524 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc(CN4CC[NH2+]CC4)cc2)C3)cc1 ZINC001170333348 881374838 /nfs/dbraw/zinc/37/48/38/881374838.db2.gz ORSBZHZLFPRDQW-MPIKPJSNSA-N 2 1 390.575 3.699 20 0 GHADMP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101853 859062898 /nfs/dbraw/zinc/06/28/98/859062898.db2.gz JCRUMKZHCZMBFU-UTKZUKDTSA-N 2 1 376.903 3.966 20 0 GHADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101853 859062907 /nfs/dbraw/zinc/06/29/07/859062907.db2.gz JCRUMKZHCZMBFU-UTKZUKDTSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187101853 859062913 /nfs/dbraw/zinc/06/29/13/859062913.db2.gz JCRUMKZHCZMBFU-UTKZUKDTSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187101853 859062919 /nfs/dbraw/zinc/06/29/19/859062919.db2.gz JCRUMKZHCZMBFU-UTKZUKDTSA-N 2 1 376.903 3.966 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc4cccnc43)C2)ccn1 ZINC000856553232 881382774 /nfs/dbraw/zinc/38/27/74/881382774.db2.gz KQMFIVWCHNVQQG-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc4cccnc43)C2)ccn1 ZINC000856553232 881382821 /nfs/dbraw/zinc/38/28/21/881382821.db2.gz KQMFIVWCHNVQQG-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)ccn1 ZINC000856553232 881382864 /nfs/dbraw/zinc/38/28/64/881382864.db2.gz KQMFIVWCHNVQQG-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185667539 859114198 /nfs/dbraw/zinc/11/41/98/859114198.db2.gz WNDAXYXHTCWLHU-RZQQEMMASA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667539 859114203 /nfs/dbraw/zinc/11/42/03/859114203.db2.gz WNDAXYXHTCWLHU-RZQQEMMASA-N 2 1 375.944 3.688 20 0 GHADMP CCN(C(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000185697003 859116948 /nfs/dbraw/zinc/11/69/48/859116948.db2.gz WZZQRCCPWHSXPG-QWFCFKBJSA-N 2 1 389.559 3.978 20 0 GHADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000185697003 859116955 /nfs/dbraw/zinc/11/69/55/859116955.db2.gz WZZQRCCPWHSXPG-QWFCFKBJSA-N 2 1 389.559 3.978 20 0 GHADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000185697003 859116966 /nfs/dbraw/zinc/11/69/66/859116966.db2.gz WZZQRCCPWHSXPG-QWFCFKBJSA-N 2 1 389.559 3.978 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712178 859118767 /nfs/dbraw/zinc/11/87/67/859118767.db2.gz OWUUFBVZBIKARG-HUUCEWRRSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712178 859118775 /nfs/dbraw/zinc/11/87/75/859118775.db2.gz OWUUFBVZBIKARG-HUUCEWRRSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707615 859118926 /nfs/dbraw/zinc/11/89/26/859118926.db2.gz IIGDOBZWWHZCPT-CABCVRRESA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707615 859118931 /nfs/dbraw/zinc/11/89/31/859118931.db2.gz IIGDOBZWWHZCPT-CABCVRRESA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738494 859123945 /nfs/dbraw/zinc/12/39/45/859123945.db2.gz GSGVEIXPTFLVKC-XTBIFASLSA-N 2 1 375.601 3.799 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738494 859123948 /nfs/dbraw/zinc/12/39/48/859123948.db2.gz GSGVEIXPTFLVKC-XTBIFASLSA-N 2 1 375.601 3.799 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000543281822 859124801 /nfs/dbraw/zinc/12/48/01/859124801.db2.gz TZICOAIUVBCPFF-UXHICEINSA-N 2 1 384.568 3.580 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553065 881385524 /nfs/dbraw/zinc/38/55/24/881385524.db2.gz TXKYIFWBWSFWRW-RXVVDRJESA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553065 881385546 /nfs/dbraw/zinc/38/55/46/881385546.db2.gz TXKYIFWBWSFWRW-RXVVDRJESA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553065 881385568 /nfs/dbraw/zinc/38/55/68/881385568.db2.gz TXKYIFWBWSFWRW-RXVVDRJESA-N 2 1 381.520 3.553 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000483133845 859171982 /nfs/dbraw/zinc/17/19/82/859171982.db2.gz JXORRTSHPZYFLW-IMSXRSKXSA-N 2 1 387.612 3.939 20 0 GHADMP CC(C)c1oc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)nc1-c1ccccc1 ZINC000923324752 859228054 /nfs/dbraw/zinc/22/80/54/859228054.db2.gz KDCBRUVSEBQFAH-OALUTQOASA-N 2 1 381.520 3.980 20 0 GHADMP Cc1ncsc1C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000923339149 859235365 /nfs/dbraw/zinc/23/53/65/859235365.db2.gz PYBVBJYVIDFUPH-KNQAVFIVSA-N 2 1 395.572 3.620 20 0 GHADMP Cc1ncsc1C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000923339149 859235374 /nfs/dbraw/zinc/23/53/74/859235374.db2.gz PYBVBJYVIDFUPH-KNQAVFIVSA-N 2 1 395.572 3.620 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C\c3ccccc3OC)C2)ccn1 ZINC000856554617 881399495 /nfs/dbraw/zinc/39/94/95/881399495.db2.gz UOXMVJMDEVLXGK-QZQRZDCMSA-N 2 1 381.520 3.708 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C\c3ccccc3OC)C2)ccn1 ZINC000856554617 881399515 /nfs/dbraw/zinc/39/95/15/881399515.db2.gz UOXMVJMDEVLXGK-QZQRZDCMSA-N 2 1 381.520 3.708 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C\c3ccccc3OC)C2)ccn1 ZINC000856554617 881399535 /nfs/dbraw/zinc/39/95/35/881399535.db2.gz UOXMVJMDEVLXGK-QZQRZDCMSA-N 2 1 381.520 3.708 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000597057528 859253832 /nfs/dbraw/zinc/25/38/32/859253832.db2.gz MNECZPVFYFMKIV-DNVCBOLYSA-N 2 1 376.497 3.847 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1F ZINC000597057528 859253847 /nfs/dbraw/zinc/25/38/47/859253847.db2.gz MNECZPVFYFMKIV-DNVCBOLYSA-N 2 1 376.497 3.847 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923393487 859278990 /nfs/dbraw/zinc/27/89/90/859278990.db2.gz RDASOGPFNLQZBC-AZNNDXHDSA-N 2 1 398.469 3.529 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000923401981 859284769 /nfs/dbraw/zinc/28/47/69/859284769.db2.gz RFWOJWZPWBGZDN-KNCOVGOOSA-N 2 1 396.375 3.628 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000923401981 859284783 /nfs/dbraw/zinc/28/47/83/859284783.db2.gz RFWOJWZPWBGZDN-KNCOVGOOSA-N 2 1 396.375 3.628 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000765980045 859383895 /nfs/dbraw/zinc/38/38/95/859383895.db2.gz YYRZFHLXSCDESN-MJGOQNOKSA-N 2 1 384.442 3.806 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558551 881419338 /nfs/dbraw/zinc/41/93/38/881419338.db2.gz JMKLUAQQSKAQRO-SIKLNZKXSA-N 2 1 395.547 3.941 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558551 881419384 /nfs/dbraw/zinc/41/93/84/881419384.db2.gz JMKLUAQQSKAQRO-SIKLNZKXSA-N 2 1 395.547 3.941 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558551 881419421 /nfs/dbraw/zinc/41/94/21/881419421.db2.gz JMKLUAQQSKAQRO-SIKLNZKXSA-N 2 1 395.547 3.941 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000626062188 859436338 /nfs/dbraw/zinc/43/63/38/859436338.db2.gz KVJNGNPCSARWGS-PGRDOPGGSA-N 2 1 395.547 3.599 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000532202219 881425769 /nfs/dbraw/zinc/42/57/69/881425769.db2.gz KQLMWCQIEXEHSX-KURKYZTESA-N 2 1 379.976 3.787 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000532202219 881425780 /nfs/dbraw/zinc/42/57/80/881425780.db2.gz KQLMWCQIEXEHSX-KURKYZTESA-N 2 1 379.976 3.787 20 0 GHADMP C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608485 859484544 /nfs/dbraw/zinc/48/45/44/859484544.db2.gz RGHHAEATTKFINE-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@@H+](CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608485 859484547 /nfs/dbraw/zinc/48/45/47/859484547.db2.gz RGHHAEATTKFINE-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608485 859484552 /nfs/dbraw/zinc/48/45/52/859484552.db2.gz RGHHAEATTKFINE-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608485 859484557 /nfs/dbraw/zinc/48/45/57/859484557.db2.gz RGHHAEATTKFINE-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(C(C)(C)C)nc3)C2)ccn1 ZINC000856560335 881441247 /nfs/dbraw/zinc/44/12/47/881441247.db2.gz WGAPFEQJSGDREA-OAQYLSRUSA-N 2 1 397.567 3.663 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(C(C)(C)C)nc3)C2)ccn1 ZINC000856560335 881441259 /nfs/dbraw/zinc/44/12/59/881441259.db2.gz WGAPFEQJSGDREA-OAQYLSRUSA-N 2 1 397.567 3.663 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(C(C)(C)C)nc3)C2)ccn1 ZINC000856560335 881441272 /nfs/dbraw/zinc/44/12/72/881441272.db2.gz WGAPFEQJSGDREA-OAQYLSRUSA-N 2 1 397.567 3.663 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)nc3)C2)ccn1 ZINC000856560335 881441282 /nfs/dbraw/zinc/44/12/82/881441282.db2.gz WGAPFEQJSGDREA-OAQYLSRUSA-N 2 1 397.567 3.663 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543427895 859684835 /nfs/dbraw/zinc/68/48/35/859684835.db2.gz GRYICDVDJQQYSJ-RPWUZVMVSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543427895 859684842 /nfs/dbraw/zinc/68/48/42/859684842.db2.gz GRYICDVDJQQYSJ-RPWUZVMVSA-N 2 1 391.490 3.667 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000543440037 859725956 /nfs/dbraw/zinc/72/59/56/859725956.db2.gz PKQLBXBZHDNBMK-HSZRJFAPSA-N 2 1 397.588 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484143463 859829546 /nfs/dbraw/zinc/82/95/46/859829546.db2.gz YGCWEALXWZDSHL-KKSFZXQISA-N 2 1 376.447 3.576 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484143463 859829549 /nfs/dbraw/zinc/82/95/49/859829549.db2.gz YGCWEALXWZDSHL-KKSFZXQISA-N 2 1 376.447 3.576 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000484143867 859830759 /nfs/dbraw/zinc/83/07/59/859830759.db2.gz NFSBWVWHKBORSX-CVDCTZTESA-N 2 1 397.538 3.663 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000484143867 859830765 /nfs/dbraw/zinc/83/07/65/859830765.db2.gz NFSBWVWHKBORSX-CVDCTZTESA-N 2 1 397.538 3.663 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000270619297 859837175 /nfs/dbraw/zinc/83/71/75/859837175.db2.gz JUFZOOIQZYWQLJ-OAHLLOKOSA-N 2 1 392.429 3.523 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000270619297 859837181 /nfs/dbraw/zinc/83/71/81/859837181.db2.gz JUFZOOIQZYWQLJ-OAHLLOKOSA-N 2 1 392.429 3.523 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466525425 859851078 /nfs/dbraw/zinc/85/10/78/859851078.db2.gz HZDWBDWWPBKHBC-SIKLNZKXSA-N 2 1 398.595 3.746 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc21 ZINC001168368668 859856156 /nfs/dbraw/zinc/85/61/56/859856156.db2.gz OQDLOUBHLOCWBN-UHFFFAOYSA-N 2 1 385.552 3.948 20 0 GHADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)cs2)cc1 ZINC000922387443 859866459 /nfs/dbraw/zinc/86/64/59/859866459.db2.gz KZUGLHZPVPHOAQ-XWSHUIEDSA-N 2 1 385.577 3.688 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727076275 859917061 /nfs/dbraw/zinc/91/70/61/859917061.db2.gz QLWPOHAXEHZZFH-SFHVURJKSA-N 2 1 390.641 3.613 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000484305865 859933752 /nfs/dbraw/zinc/93/37/52/859933752.db2.gz JCFFSRONYWQBNL-WDSOQIARSA-N 2 1 396.597 3.650 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535656180 860263177 /nfs/dbraw/zinc/26/31/77/860263177.db2.gz VGZFSRNZMHGYOG-ZSZQSSIHSA-N 2 1 398.954 3.501 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000484717683 860285237 /nfs/dbraw/zinc/28/52/37/860285237.db2.gz YSANPOWYNJXFEK-VOQZNFBZSA-N 2 1 398.526 3.563 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCSc3ccc(F)cc3)C2)ccn1 ZINC000856582962 881533540 /nfs/dbraw/zinc/53/35/40/881533540.db2.gz ATCMBOMJZKDRLW-HXUWFJFHSA-N 2 1 389.540 3.918 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCSc3ccc(F)cc3)C2)ccn1 ZINC000856582962 881533557 /nfs/dbraw/zinc/53/35/57/881533557.db2.gz ATCMBOMJZKDRLW-HXUWFJFHSA-N 2 1 389.540 3.918 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCSc3ccc(F)cc3)C2)ccn1 ZINC000856582962 881533574 /nfs/dbraw/zinc/53/35/74/881533574.db2.gz ATCMBOMJZKDRLW-HXUWFJFHSA-N 2 1 389.540 3.918 20 0 GHADMP Cn1c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccc(Cl)cc21 ZINC000904474125 860466602 /nfs/dbraw/zinc/46/66/02/860466602.db2.gz JLJSYSWSCPVILP-LAUBAEHRSA-N 2 1 382.895 3.572 20 0 GHADMP CCCn1c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccccc21 ZINC000904477022 860468425 /nfs/dbraw/zinc/46/84/25/860468425.db2.gz WNKZBTSXTBVKKF-CVDCTZTESA-N 2 1 376.504 3.792 20 0 GHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)C[C@H](C)O1 ZINC000025099657 860487114 /nfs/dbraw/zinc/48/71/14/860487114.db2.gz YUUVVKCZSIKWFC-ROUUACIJSA-N 2 1 381.520 3.610 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904645872 860543017 /nfs/dbraw/zinc/54/30/17/860543017.db2.gz DVEYTBBFMLFFFT-BEFAXECRSA-N 2 1 390.890 3.752 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4ccccc4s3)C2)ccn1 ZINC000856584063 881554368 /nfs/dbraw/zinc/55/43/68/881554368.db2.gz CXKMVZHPOUUGBY-GOSISDBHSA-N 2 1 382.533 3.796 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4ccccc4s3)C2)ccn1 ZINC000856584063 881554386 /nfs/dbraw/zinc/55/43/86/881554386.db2.gz CXKMVZHPOUUGBY-GOSISDBHSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc4ccccc4s3)C2)ccn1 ZINC000856584063 881554403 /nfs/dbraw/zinc/55/44/03/881554403.db2.gz CXKMVZHPOUUGBY-GOSISDBHSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc4ccccc4s3)C2)ccn1 ZINC000856584063 881554420 /nfs/dbraw/zinc/55/44/20/881554420.db2.gz CXKMVZHPOUUGBY-GOSISDBHSA-N 2 1 382.533 3.796 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585928 881558492 /nfs/dbraw/zinc/55/84/92/881558492.db2.gz NOHUFASTDPJMGS-APWZRJJASA-N 2 1 380.492 3.889 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585928 881558497 /nfs/dbraw/zinc/55/84/97/881558497.db2.gz NOHUFASTDPJMGS-APWZRJJASA-N 2 1 380.492 3.889 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585928 881558505 /nfs/dbraw/zinc/55/85/05/881558505.db2.gz NOHUFASTDPJMGS-APWZRJJASA-N 2 1 380.492 3.889 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCc3cccc(OC)c3)C2)ccn1 ZINC000856592780 881567115 /nfs/dbraw/zinc/56/71/15/881567115.db2.gz WUQZHMWIAJGFMP-QHCPKHFHSA-N 2 1 383.536 3.628 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCc3cccc(OC)c3)C2)ccn1 ZINC000856592780 881567121 /nfs/dbraw/zinc/56/71/21/881567121.db2.gz WUQZHMWIAJGFMP-QHCPKHFHSA-N 2 1 383.536 3.628 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCc3cccc(OC)c3)C2)ccn1 ZINC000856592780 881567128 /nfs/dbraw/zinc/56/71/28/881567128.db2.gz WUQZHMWIAJGFMP-QHCPKHFHSA-N 2 1 383.536 3.628 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856593312 881567691 /nfs/dbraw/zinc/56/76/91/881567691.db2.gz NYWVVOWGTBKLNA-VLCRHTCISA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856593312 881567706 /nfs/dbraw/zinc/56/77/06/881567706.db2.gz NYWVVOWGTBKLNA-VLCRHTCISA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@@H]3CCCC[C@@H]3C)C2)ccn1 ZINC000856593312 881567713 /nfs/dbraw/zinc/56/77/13/881567713.db2.gz NYWVVOWGTBKLNA-VLCRHTCISA-N 2 1 375.557 3.582 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026884 860744397 /nfs/dbraw/zinc/74/43/97/860744397.db2.gz AINANYIREGOGCJ-LAUBAEHRSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026884 860744403 /nfs/dbraw/zinc/74/44/03/860744403.db2.gz AINANYIREGOGCJ-LAUBAEHRSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026884 860744409 /nfs/dbraw/zinc/74/44/09/860744409.db2.gz AINANYIREGOGCJ-LAUBAEHRSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026884 860744413 /nfs/dbraw/zinc/74/44/13/860744413.db2.gz AINANYIREGOGCJ-LAUBAEHRSA-N 2 1 380.960 3.539 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606583 881585943 /nfs/dbraw/zinc/58/59/43/881585943.db2.gz LRJVAORSLPLWSY-XMMPIXPASA-N 2 1 396.579 3.901 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606583 881585948 /nfs/dbraw/zinc/58/59/48/881585948.db2.gz LRJVAORSLPLWSY-XMMPIXPASA-N 2 1 396.579 3.901 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606583 881585957 /nfs/dbraw/zinc/58/59/57/881585957.db2.gz LRJVAORSLPLWSY-XMMPIXPASA-N 2 1 396.579 3.901 20 0 GHADMP COc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1OC1CC1 ZINC000623414465 861028238 /nfs/dbraw/zinc/02/82/38/861028238.db2.gz FDMDGDPOIOVORD-UHFFFAOYSA-N 2 1 399.535 3.843 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1(C)C ZINC000623486014 861112517 /nfs/dbraw/zinc/11/25/17/861112517.db2.gz JGMBPLHLZQQJAB-MSOLQXFVSA-N 2 1 397.485 3.659 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1(C)C ZINC000623486014 861112526 /nfs/dbraw/zinc/11/25/26/861112526.db2.gz JGMBPLHLZQQJAB-MSOLQXFVSA-N 2 1 397.485 3.659 20 0 GHADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000623523002 861155604 /nfs/dbraw/zinc/15/56/04/861155604.db2.gz FNZIZSYEVYPYIG-NHCUHLMSSA-N 2 1 397.588 3.566 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000498597522 863169098 /nfs/dbraw/zinc/16/90/98/863169098.db2.gz IPBWFPONVBGDJG-UGKGYDQZSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000498597522 863169101 /nfs/dbraw/zinc/16/91/01/863169101.db2.gz IPBWFPONVBGDJG-UGKGYDQZSA-N 2 1 399.966 3.971 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000182444484 863230559 /nfs/dbraw/zinc/23/05/59/863230559.db2.gz LQUWWLIZHFINLI-MRXNPFEDSA-N 2 1 378.476 3.869 20 0 GHADMP CCc1nc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000183151838 863488550 /nfs/dbraw/zinc/48/85/50/863488550.db2.gz UQKLRVANOBWOLH-CYBMUJFWSA-N 2 1 383.521 3.797 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000183155587 863490308 /nfs/dbraw/zinc/49/03/08/863490308.db2.gz ZLXGRTFMVQLPGE-UZLBHIALSA-N 2 1 390.487 3.753 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000183158072 863491476 /nfs/dbraw/zinc/49/14/76/863491476.db2.gz CEBUSTSFSOJZMU-JKSUJKDBSA-N 2 1 394.544 3.866 20 0 GHADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540342 863672849 /nfs/dbraw/zinc/67/28/49/863672849.db2.gz JAIUXEFWFCYCIY-HZPDHXFCSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540342 863672853 /nfs/dbraw/zinc/67/28/53/863672853.db2.gz JAIUXEFWFCYCIY-HZPDHXFCSA-N 2 1 387.351 3.683 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)NCCCCn3ccnc3)sc2c1)C1CC1 ZINC000667611136 863931026 /nfs/dbraw/zinc/93/10/26/863931026.db2.gz CSAAQJOKPWFXAV-UHFFFAOYSA-N 2 1 398.536 3.689 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000103305998 863949979 /nfs/dbraw/zinc/94/99/79/863949979.db2.gz MJBGBLLXIKTYSI-VXKWHMMOSA-N 2 1 392.632 3.652 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000158811182 863958739 /nfs/dbraw/zinc/95/87/39/863958739.db2.gz ZNKHRESBVQFUNY-YDHSSHFGSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000158811182 863958741 /nfs/dbraw/zinc/95/87/41/863958741.db2.gz ZNKHRESBVQFUNY-YDHSSHFGSA-N 2 1 375.520 3.829 20 0 GHADMP Cc1cc(N2CCN(C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC001168054661 863980110 /nfs/dbraw/zinc/98/01/10/863980110.db2.gz STJDRZYRYJUNKV-PMACEKPBSA-N 2 1 393.579 3.657 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(Oc3cnccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054789 863984728 /nfs/dbraw/zinc/98/47/28/863984728.db2.gz BHCAWHIBVPVNBO-CEQLMSFQSA-N 2 1 380.536 3.761 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000159118371 864037357 /nfs/dbraw/zinc/03/73/57/864037357.db2.gz JGAWUYHFIZIWNZ-HTAPYJJXSA-N 2 1 376.504 3.531 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734217372 864090185 /nfs/dbraw/zinc/09/01/85/864090185.db2.gz HQQURGXSQVHIMF-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CCCO1 ZINC000494459069 881751446 /nfs/dbraw/zinc/75/14/46/881751446.db2.gz TZLUSZOVGMTKTL-DMKPSLHHSA-N 2 1 381.358 3.786 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CCCO1 ZINC000494459069 881751463 /nfs/dbraw/zinc/75/14/63/881751463.db2.gz TZLUSZOVGMTKTL-DMKPSLHHSA-N 2 1 381.358 3.786 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168056972 864363051 /nfs/dbraw/zinc/36/30/51/864363051.db2.gz KXVRKZXRVVFPAV-WOIUINJBSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168056972 864363058 /nfs/dbraw/zinc/36/30/58/864363058.db2.gz KXVRKZXRVVFPAV-WOIUINJBSA-N 2 1 395.547 3.985 20 0 GHADMP COC(=O)C[C@@H]1CC[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@H]1C ZINC000792874277 881762175 /nfs/dbraw/zinc/76/21/75/881762175.db2.gz UKIGKSFHADFLKX-LQBOVUBWSA-N 2 1 387.568 3.854 20 0 GHADMP CC[N@@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCC[NH+](C)C4)c3)sc2C1 ZINC000856820938 881778541 /nfs/dbraw/zinc/77/85/41/881778541.db2.gz HOPWHNPLNGJNFH-QGZVFWFLSA-N 2 1 384.549 3.583 20 0 GHADMP CC[N@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCC[NH+](C)C4)c3)sc2C1 ZINC000856820938 881778557 /nfs/dbraw/zinc/77/85/57/881778557.db2.gz HOPWHNPLNGJNFH-QGZVFWFLSA-N 2 1 384.549 3.583 20 0 GHADMP CC[NH+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)sc2C1 ZINC000856820938 881778572 /nfs/dbraw/zinc/77/85/72/881778572.db2.gz HOPWHNPLNGJNFH-QGZVFWFLSA-N 2 1 384.549 3.583 20 0 GHADMP CC[NH+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCC[N@@H+](C)C4)c3)sc2C1 ZINC000856820938 881778590 /nfs/dbraw/zinc/77/85/90/881778590.db2.gz HOPWHNPLNGJNFH-QGZVFWFLSA-N 2 1 384.549 3.583 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000444334817 864657956 /nfs/dbraw/zinc/65/79/56/864657956.db2.gz DALMMXIVVXZCAI-BZSNNMDCSA-N 2 1 383.540 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000444334817 864657960 /nfs/dbraw/zinc/65/79/60/864657960.db2.gz DALMMXIVVXZCAI-BZSNNMDCSA-N 2 1 383.540 3.804 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000554726752 864778250 /nfs/dbraw/zinc/77/82/50/864778250.db2.gz ONGYBZQWONJXJX-GHRIWEEISA-N 2 1 383.502 3.972 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cc(Br)ccc2o1 ZINC000667707169 864948346 /nfs/dbraw/zinc/94/83/46/864948346.db2.gz RUKLDUSXQVNTMI-AYBZRNKSSA-N 2 1 393.325 3.879 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cc(Br)ccc2o1 ZINC000667707169 864948355 /nfs/dbraw/zinc/94/83/55/864948355.db2.gz RUKLDUSXQVNTMI-AYBZRNKSSA-N 2 1 393.325 3.879 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000480606753 864964176 /nfs/dbraw/zinc/96/41/76/864964176.db2.gz FCBMRCJQSNMPSY-WMZHIEFXSA-N 2 1 377.532 3.814 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000480606753 864964184 /nfs/dbraw/zinc/96/41/84/864964184.db2.gz FCBMRCJQSNMPSY-WMZHIEFXSA-N 2 1 377.532 3.814 20 0 GHADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480622643 864987603 /nfs/dbraw/zinc/98/76/03/864987603.db2.gz VVMFZAZGHRHQEG-GAJHUEQPSA-N 2 1 395.522 3.627 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000622452116 865001785 /nfs/dbraw/zinc/00/17/85/865001785.db2.gz OITDSEUHYDCYBZ-NRFANRHFSA-N 2 1 386.584 3.648 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000480646387 865034527 /nfs/dbraw/zinc/03/45/27/865034527.db2.gz VCCNLWJTNDYGKZ-MBSDFSHPSA-N 2 1 377.532 3.802 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480648749 865037494 /nfs/dbraw/zinc/03/74/94/865037494.db2.gz XVSYNGXZYZPULD-UHFFFAOYSA-N 2 1 377.479 3.732 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000132952890 881831343 /nfs/dbraw/zinc/83/13/43/881831343.db2.gz VKKUDRZEXROCPP-QGZVFWFLSA-N 2 1 382.552 3.888 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000171477519 865262931 /nfs/dbraw/zinc/26/29/31/865262931.db2.gz LJKDENUTOVERSS-HSZRJFAPSA-N 2 1 379.548 3.503 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738334681 865520886 /nfs/dbraw/zinc/52/08/86/865520886.db2.gz JUQNXSGIRMRRLI-SJORKVTESA-N 2 1 387.351 3.683 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738334681 865520892 /nfs/dbraw/zinc/52/08/92/865520892.db2.gz JUQNXSGIRMRRLI-SJORKVTESA-N 2 1 387.351 3.683 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ccc1O ZINC000185206231 865763668 /nfs/dbraw/zinc/76/36/68/865763668.db2.gz GDJRLCUYRVYXLD-ZNMIVQPWSA-N 2 1 385.346 3.695 20 0 GHADMP C[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403085 865768060 /nfs/dbraw/zinc/76/80/60/865768060.db2.gz DJROAUGFAKWKQB-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403085 865768066 /nfs/dbraw/zinc/76/80/66/865768066.db2.gz DJROAUGFAKWKQB-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403085 865768071 /nfs/dbraw/zinc/76/80/71/865768071.db2.gz DJROAUGFAKWKQB-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000481113196 865814464 /nfs/dbraw/zinc/81/44/64/865814464.db2.gz IFPYSHVAUBPVIY-CEWLAPEOSA-N 2 1 398.551 3.673 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000481164773 865905397 /nfs/dbraw/zinc/90/53/97/865905397.db2.gz ADFMWJJFIBIAEH-CRAIPNDOSA-N 2 1 391.968 3.518 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000481164773 865905407 /nfs/dbraw/zinc/90/54/07/865905407.db2.gz ADFMWJJFIBIAEH-CRAIPNDOSA-N 2 1 391.968 3.518 20 0 GHADMP CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029819 865906433 /nfs/dbraw/zinc/90/64/33/865906433.db2.gz IVMKZXDDKJYOAX-UHFFFAOYSA-N 2 1 396.535 3.535 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000174451244 865909025 /nfs/dbraw/zinc/90/90/25/865909025.db2.gz JGJDAUFVHARPQU-UHFFFAOYSA-N 2 1 378.472 3.973 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000499299824 881918821 /nfs/dbraw/zinc/91/88/21/881918821.db2.gz MYMVCDIEGORJPV-SFHVURJKSA-N 2 1 383.540 3.759 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481181885 865943162 /nfs/dbraw/zinc/94/31/62/865943162.db2.gz OEBFYMZGFRXXMA-PWHSHALESA-N 2 1 397.538 3.845 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481181885 865943173 /nfs/dbraw/zinc/94/31/73/865943173.db2.gz OEBFYMZGFRXXMA-PWHSHALESA-N 2 1 397.538 3.845 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001168067387 865992972 /nfs/dbraw/zinc/99/29/72/865992972.db2.gz UVHMCNSXGVZRQD-SFYKDHMMSA-N 2 1 395.547 3.985 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001168341528 881934603 /nfs/dbraw/zinc/93/46/03/881934603.db2.gz SQHZSUUWIOQFJO-CZYKHXBRSA-N 2 1 383.580 3.524 20 0 GHADMP C[NH+](C)CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C1CCCC1 ZINC000534096084 866125217 /nfs/dbraw/zinc/12/52/17/866125217.db2.gz CBBCOVGJCSNXQN-UXHICEINSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+](C)CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C1CCCC1 ZINC000534096084 866125220 /nfs/dbraw/zinc/12/52/20/866125220.db2.gz CBBCOVGJCSNXQN-UXHICEINSA-N 2 1 392.975 3.601 20 0 GHADMP CC[C@H](C)[C@H]([NH2+]CCn1cc[nH+]c1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000552969695 866542339 /nfs/dbraw/zinc/54/23/39/866542339.db2.gz VIGWJLOJTPTAGY-CVDCTZTESA-N 2 1 396.579 3.677 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152479512 866568045 /nfs/dbraw/zinc/56/80/45/866568045.db2.gz LGHHRPVAQKBCJY-DLBZAZTESA-N 2 1 376.566 3.538 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c2cccs2)CC1 ZINC000534352397 866602101 /nfs/dbraw/zinc/60/21/01/866602101.db2.gz JCPGHFOTEUVUFE-ILWGZMRPSA-N 2 1 399.604 3.794 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000534337411 866613570 /nfs/dbraw/zinc/61/35/70/866613570.db2.gz RFYDIQIEOMWCCV-LJQANCHMSA-N 2 1 399.501 3.762 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655722796 866644740 /nfs/dbraw/zinc/64/47/40/866644740.db2.gz IOHYRRPPTGTQMY-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655722796 866644750 /nfs/dbraw/zinc/64/47/50/866644750.db2.gz IOHYRRPPTGTQMY-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000523144108 866721239 /nfs/dbraw/zinc/72/12/39/866721239.db2.gz KAZDOLGHFTUZEH-YLJYHZDGSA-N 2 1 392.975 3.506 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000523144106 866721298 /nfs/dbraw/zinc/72/12/98/866721298.db2.gz KAZDOLGHFTUZEH-PXNSSMCTSA-N 2 1 392.975 3.506 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000444594294 866918147 /nfs/dbraw/zinc/91/81/47/866918147.db2.gz HXUHUZHVQXSXJO-GOSISDBHSA-N 2 1 391.519 3.673 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000444594294 866918154 /nfs/dbraw/zinc/91/81/54/866918154.db2.gz HXUHUZHVQXSXJO-GOSISDBHSA-N 2 1 391.519 3.673 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000444599733 866962371 /nfs/dbraw/zinc/96/23/71/866962371.db2.gz XKRIIKNZLDTSIC-ZWKOTPCHSA-N 2 1 383.540 3.661 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000553255759 867061295 /nfs/dbraw/zinc/06/12/95/867061295.db2.gz PMFDELKGJVMVCD-UHFFFAOYSA-N 2 1 399.457 3.720 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479072720 867129354 /nfs/dbraw/zinc/12/93/54/867129354.db2.gz WMKLJXJZDPHOIW-MJGOQNOKSA-N 2 1 381.358 3.653 20 0 GHADMP C/C(=C/C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000857148211 882054684 /nfs/dbraw/zinc/05/46/84/882054684.db2.gz KALAQUFMKIQIHE-ZCXUNETKSA-N 2 1 389.609 3.806 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1(C)C ZINC000623495761 867216248 /nfs/dbraw/zinc/21/62/48/867216248.db2.gz RHFJQGDJPXHCLT-MRXNPFEDSA-N 2 1 397.485 3.772 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000553366815 867273259 /nfs/dbraw/zinc/27/32/59/867273259.db2.gz JRBLTOVXPYZMOQ-FQEVSTJZSA-N 2 1 394.991 3.895 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCC[NH+](C)C4)c3)sc2C1 ZINC000857178645 882089995 /nfs/dbraw/zinc/08/99/95/882089995.db2.gz GCOBUYHVNZDWQE-GOSISDBHSA-N 2 1 398.576 3.971 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCC[NH+](C)C4)c3)sc2C1 ZINC000857178645 882090015 /nfs/dbraw/zinc/09/00/15/882090015.db2.gz GCOBUYHVNZDWQE-GOSISDBHSA-N 2 1 398.576 3.971 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)sc2C1 ZINC000857178645 882090034 /nfs/dbraw/zinc/09/00/34/882090034.db2.gz GCOBUYHVNZDWQE-GOSISDBHSA-N 2 1 398.576 3.971 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCC[N@@H+](C)C4)c3)sc2C1 ZINC000857178645 882090051 /nfs/dbraw/zinc/09/00/51/882090051.db2.gz GCOBUYHVNZDWQE-GOSISDBHSA-N 2 1 398.576 3.971 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436401 867752869 /nfs/dbraw/zinc/75/28/69/867752869.db2.gz IOBNZPILLLMPAC-DNVCBOLYSA-N 2 1 381.358 3.917 20 0 GHADMP CC(C)CN(C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000534965492 867836416 /nfs/dbraw/zinc/83/64/16/867836416.db2.gz XFIMUFJCIPBNNV-UHFFFAOYSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000553657277 867850256 /nfs/dbraw/zinc/85/02/56/867850256.db2.gz DCKKDGIPIQRYIH-ATZDWAIDSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000553657277 867850260 /nfs/dbraw/zinc/85/02/60/867850260.db2.gz DCKKDGIPIQRYIH-ATZDWAIDSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000553657277 867850264 /nfs/dbraw/zinc/85/02/64/867850264.db2.gz DCKKDGIPIQRYIH-ATZDWAIDSA-N 2 1 380.964 3.505 20 0 GHADMP C[N@H+]1C[C@@H](CNC(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)[C@H](c2ccccc2)C1 ZINC000857296382 882181827 /nfs/dbraw/zinc/18/18/27/882181827.db2.gz ZTCPGLJJFXKZNG-SMIHKQSGSA-N 2 1 391.559 3.571 20 0 GHADMP C[NH+]1C[C@@H](CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)[C@H](c2ccccc2)C1 ZINC000857296382 882181834 /nfs/dbraw/zinc/18/18/34/882181834.db2.gz ZTCPGLJJFXKZNG-SMIHKQSGSA-N 2 1 391.559 3.571 20 0 GHADMP C[NH+]1C[C@@H](CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)[C@H](c2ccccc2)C1 ZINC000857296382 882181837 /nfs/dbraw/zinc/18/18/37/882181837.db2.gz ZTCPGLJJFXKZNG-SMIHKQSGSA-N 2 1 391.559 3.571 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)C1CCCC1 ZINC000535282814 868487036 /nfs/dbraw/zinc/48/70/36/868487036.db2.gz FJQOTKSAURMWNI-UHFFFAOYSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156976650 868518126 /nfs/dbraw/zinc/51/81/26/868518126.db2.gz YZMJBJGRRXHBEM-QIJUGHKUSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156976650 868518130 /nfs/dbraw/zinc/51/81/30/868518130.db2.gz YZMJBJGRRXHBEM-QIJUGHKUSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000156976650 868518137 /nfs/dbraw/zinc/51/81/37/868518137.db2.gz YZMJBJGRRXHBEM-QIJUGHKUSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000156976650 868518140 /nfs/dbraw/zinc/51/81/40/868518140.db2.gz YZMJBJGRRXHBEM-QIJUGHKUSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc2)C1 ZINC000457636082 868554056 /nfs/dbraw/zinc/55/40/56/868554056.db2.gz BKGJUGJGBSWGET-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000457643913 868562315 /nfs/dbraw/zinc/56/23/15/868562315.db2.gz GKQDTCOHDPHIJS-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457643913 868562325 /nfs/dbraw/zinc/56/23/25/868562325.db2.gz GKQDTCOHDPHIJS-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000457643913 868562335 /nfs/dbraw/zinc/56/23/35/868562335.db2.gz GKQDTCOHDPHIJS-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000457668390 868605054 /nfs/dbraw/zinc/60/50/54/868605054.db2.gz WYYYIFMKDQYGFU-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000457668390 868605065 /nfs/dbraw/zinc/60/50/65/868605065.db2.gz WYYYIFMKDQYGFU-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000457668390 868605075 /nfs/dbraw/zinc/60/50/75/868605075.db2.gz WYYYIFMKDQYGFU-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)CC1 ZINC000157296623 868616713 /nfs/dbraw/zinc/61/67/13/868616713.db2.gz LAJPPZBZXSRNCY-UZLBHIALSA-N 2 1 397.966 3.703 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000157574234 868691194 /nfs/dbraw/zinc/69/11/94/868691194.db2.gz DCYHVANPEKLNFX-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000158217524 868898597 /nfs/dbraw/zinc/89/85/97/868898597.db2.gz SLGUTLBAFANPGQ-QFBILLFUSA-N 2 1 397.485 3.561 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000539545313 869322242 /nfs/dbraw/zinc/32/22/42/869322242.db2.gz RZVHBNOFLYAMFI-HNNXBMFYSA-N 2 1 382.348 3.910 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446142625 869458699 /nfs/dbraw/zinc/45/86/99/869458699.db2.gz ZVCPDNNFKLIORH-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000491274423 869542806 /nfs/dbraw/zinc/54/28/06/869542806.db2.gz ZMVNTOTZRWPSDP-IEBWSBKVSA-N 2 1 380.536 3.895 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000491274423 869542815 /nfs/dbraw/zinc/54/28/15/869542815.db2.gz ZMVNTOTZRWPSDP-IEBWSBKVSA-N 2 1 380.536 3.895 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000524857138 869656495 /nfs/dbraw/zinc/65/64/95/869656495.db2.gz TZHWFBPSWHNSPQ-IBGZPJMESA-N 2 1 390.572 3.662 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000539852524 869917928 /nfs/dbraw/zinc/91/79/28/869917928.db2.gz UQONZTNCIMVFSS-UHFFFAOYSA-N 2 1 378.948 3.558 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000539852524 869917939 /nfs/dbraw/zinc/91/79/39/869917939.db2.gz UQONZTNCIMVFSS-UHFFFAOYSA-N 2 1 378.948 3.558 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462741432 869976202 /nfs/dbraw/zinc/97/62/02/869976202.db2.gz UFNNKHFPHHLKJU-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP c1cc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc2c1OCO2 ZINC000121991808 882369237 /nfs/dbraw/zinc/36/92/37/882369237.db2.gz DFFCQVUJTSBXPJ-UHFFFAOYSA-N 2 1 398.507 3.553 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n(C)c1C ZINC000462787970 870079872 /nfs/dbraw/zinc/07/98/72/870079872.db2.gz NFDSQSUNWHAZJN-QGZVFWFLSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000525183812 870123984 /nfs/dbraw/zinc/12/39/84/870123984.db2.gz XIMRDNYDESHEMC-UHFFFAOYSA-N 2 1 377.414 3.966 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000462808079 870133669 /nfs/dbraw/zinc/13/36/69/870133669.db2.gz GOEHYYAQQDHMRD-WMZHIEFXSA-N 2 1 377.532 3.533 20 0 GHADMP CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000746248466 870139934 /nfs/dbraw/zinc/13/99/34/870139934.db2.gz RRJOZVPHVJFNQA-QHCPKHFHSA-N 2 1 395.547 3.645 20 0 GHADMP C[C@H](Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462855829 870213568 /nfs/dbraw/zinc/21/35/68/870213568.db2.gz CZMQFZANXVJPBV-BPUDTRNYSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462855829 870213579 /nfs/dbraw/zinc/21/35/79/870213579.db2.gz CZMQFZANXVJPBV-BPUDTRNYSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462855829 870213593 /nfs/dbraw/zinc/21/35/93/870213593.db2.gz CZMQFZANXVJPBV-BPUDTRNYSA-N 2 1 379.548 3.576 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000247983983 870254840 /nfs/dbraw/zinc/25/48/40/870254840.db2.gz IRFZFGLPXSSTJS-VIZSFHNOSA-N 2 1 384.568 3.719 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000247983983 870254850 /nfs/dbraw/zinc/25/48/50/870254850.db2.gz IRFZFGLPXSSTJS-VIZSFHNOSA-N 2 1 384.568 3.719 20 0 GHADMP CNC(=O)c1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248164696 870305055 /nfs/dbraw/zinc/30/50/55/870305055.db2.gz SSRLAZBRRUNKIK-GOTSBHOMSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248164696 870305074 /nfs/dbraw/zinc/30/50/74/870305074.db2.gz SSRLAZBRRUNKIK-GOTSBHOMSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248164696 870305098 /nfs/dbraw/zinc/30/50/98/870305098.db2.gz SSRLAZBRRUNKIK-GOTSBHOMSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248164696 870305119 /nfs/dbraw/zinc/30/51/19/870305119.db2.gz SSRLAZBRRUNKIK-GOTSBHOMSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248164696 870305141 /nfs/dbraw/zinc/30/51/41/870305141.db2.gz SSRLAZBRRUNKIK-GOTSBHOMSA-N 2 1 377.532 3.533 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000538696792 870325600 /nfs/dbraw/zinc/32/56/00/870325600.db2.gz IIGAQRKVUHUKPQ-QHCPKHFHSA-N 2 1 383.580 3.812 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n(C)c1C ZINC000462904595 870352376 /nfs/dbraw/zinc/35/23/76/870352376.db2.gz WKYJYOPWQKLBMK-HXUWFJFHSA-N 2 1 383.536 3.512 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000462904595 870352390 /nfs/dbraw/zinc/35/23/90/870352390.db2.gz WKYJYOPWQKLBMK-HXUWFJFHSA-N 2 1 383.536 3.512 20 0 GHADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248407336 870383911 /nfs/dbraw/zinc/38/39/11/870383911.db2.gz UIKQBMWXFJUJDQ-GMKZXUHWSA-N 2 1 380.580 3.860 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000248430323 870411017 /nfs/dbraw/zinc/41/10/17/870411017.db2.gz BPWIZRINPPGOKQ-KSSFIOAISA-N 2 1 378.438 3.911 20 0 GHADMP Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000538720972 870419175 /nfs/dbraw/zinc/41/91/75/870419175.db2.gz HXYBWWKCILKRRJ-DENIHFKCSA-N 2 1 379.552 3.510 20 0 GHADMP Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000538720972 870419183 /nfs/dbraw/zinc/41/91/83/870419183.db2.gz HXYBWWKCILKRRJ-DENIHFKCSA-N 2 1 379.552 3.510 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000248463730 870443716 /nfs/dbraw/zinc/44/37/16/870443716.db2.gz ZDCQJIJGVHHALM-GCJKJVERSA-N 2 1 396.531 3.655 20 0 GHADMP C[C@H](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCCCC1 ZINC000248481486 870455658 /nfs/dbraw/zinc/45/56/58/870455658.db2.gz IDGBWZCMWHFSGV-QWFCFKBJSA-N 2 1 392.613 3.695 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1SC ZINC000525375108 870573905 /nfs/dbraw/zinc/57/39/05/870573905.db2.gz IPAFBEYDGDIXHS-MRXNPFEDSA-N 2 1 399.004 3.942 20 0 GHADMP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC000248713840 870601928 /nfs/dbraw/zinc/60/19/28/870601928.db2.gz DVAKOMPPPAYWKZ-HKUYNNGSSA-N 2 1 392.613 3.552 20 0 GHADMP Cc1cc(C)n2c(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cnc2n1 ZINC000538761992 870603629 /nfs/dbraw/zinc/60/36/29/870603629.db2.gz QRMOEROASLMAQR-UHFFFAOYSA-N 2 1 389.547 3.834 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000122124462 882427756 /nfs/dbraw/zinc/42/77/56/882427756.db2.gz YQQIBUQLDSVPLB-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000122124462 882427761 /nfs/dbraw/zinc/42/77/61/882427761.db2.gz YQQIBUQLDSVPLB-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000122132568 882430153 /nfs/dbraw/zinc/43/01/53/882430153.db2.gz KTNQFMYOLVQAIL-IEBWSBKVSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000122132568 882430163 /nfs/dbraw/zinc/43/01/63/882430163.db2.gz KTNQFMYOLVQAIL-IEBWSBKVSA-N 2 1 383.540 3.661 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1)CC(C)C ZINC000540199938 870710995 /nfs/dbraw/zinc/71/09/95/870710995.db2.gz XPIRNXRMHGSKAX-UHFFFAOYSA-N 2 1 384.568 3.958 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000249090647 870752389 /nfs/dbraw/zinc/75/23/89/870752389.db2.gz DBNLCGPPVOPOIC-GUDVDZBRSA-N 2 1 397.485 3.595 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000249173929 870778604 /nfs/dbraw/zinc/77/86/04/870778604.db2.gz DGSYFVKGPTUAGL-IRLDBZIGSA-N 2 1 383.511 3.764 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000463058717 870779034 /nfs/dbraw/zinc/77/90/34/870779034.db2.gz VPGAOSRRQBZENV-JAXLGGSGSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463058717 870779044 /nfs/dbraw/zinc/77/90/44/870779044.db2.gz VPGAOSRRQBZENV-JAXLGGSGSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000463058717 870779050 /nfs/dbraw/zinc/77/90/50/870779050.db2.gz VPGAOSRRQBZENV-JAXLGGSGSA-N 2 1 388.600 3.801 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCc2ccccc2C1 ZINC000463067086 870817457 /nfs/dbraw/zinc/81/74/57/870817457.db2.gz GGWPUJPTHMAQBR-FQEVSTJZSA-N 2 1 395.566 3.869 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C(C)C)cc1Cl ZINC000525516339 870844592 /nfs/dbraw/zinc/84/45/92/870844592.db2.gz LSFJIQKTRMFLBB-QZTJIDSGSA-N 2 1 382.976 3.785 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(C(C)C)cc1Cl ZINC000525516339 870844600 /nfs/dbraw/zinc/84/46/00/870844600.db2.gz LSFJIQKTRMFLBB-QZTJIDSGSA-N 2 1 382.976 3.785 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(C(C)C)cc1Cl ZINC000525516339 870844601 /nfs/dbraw/zinc/84/46/01/870844601.db2.gz LSFJIQKTRMFLBB-QZTJIDSGSA-N 2 1 382.976 3.785 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C(C)C)cc1 ZINC000540260681 870864987 /nfs/dbraw/zinc/86/49/87/870864987.db2.gz MTCOHBCZBOZASR-XMMPIXPASA-N 2 1 381.564 3.930 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168840091 870899418 /nfs/dbraw/zinc/89/94/18/870899418.db2.gz QTGLSLRQBCXHCI-AFYVEPGGSA-N 2 1 388.556 3.551 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849110 870929177 /nfs/dbraw/zinc/92/91/77/870929177.db2.gz HDLSZWDDRYGODS-TVFCKZIOSA-N 2 1 391.581 3.510 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000122170291 882457944 /nfs/dbraw/zinc/45/79/44/882457944.db2.gz LBTUBTYBSLVGOV-HXUWFJFHSA-N 2 1 389.584 3.701 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463129484 870944500 /nfs/dbraw/zinc/94/45/00/870944500.db2.gz CVSIQGLVHYJYPO-OFNKIYASSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000463129484 870944508 /nfs/dbraw/zinc/94/45/08/870944508.db2.gz CVSIQGLVHYJYPO-OFNKIYASSA-N 2 1 381.564 3.770 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@H](CNC3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000463116162 870951665 /nfs/dbraw/zinc/95/16/65/870951665.db2.gz OMVDHSVKADWAOG-RUZDIDTESA-N 2 1 391.603 3.848 20 0 GHADMP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000463138291 870988643 /nfs/dbraw/zinc/98/86/43/870988643.db2.gz OMJSNWYCJABZLJ-DEOSSOPVSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000463138291 870988651 /nfs/dbraw/zinc/98/86/51/870988651.db2.gz OMJSNWYCJABZLJ-DEOSSOPVSA-N 2 1 381.539 3.697 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000463149685 871021037 /nfs/dbraw/zinc/02/10/37/871021037.db2.gz UTBGSIMTAQWIDA-ICSRJNTNSA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000463149685 871021057 /nfs/dbraw/zinc/02/10/57/871021057.db2.gz UTBGSIMTAQWIDA-ICSRJNTNSA-N 2 1 398.547 3.898 20 0 GHADMP OC[C@H](C1CC1)N(Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429696568 871044194 /nfs/dbraw/zinc/04/41/94/871044194.db2.gz IRJCVFHRQAQJLU-JWQCQUIFSA-N 2 1 394.559 3.551 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)c(C)n2n1 ZINC000538983886 871045546 /nfs/dbraw/zinc/04/55/46/871045546.db2.gz CWFVTQGPEFNPSK-TVTNDZMWSA-N 2 1 377.536 3.907 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)c(C)n2n1 ZINC000538983886 871045567 /nfs/dbraw/zinc/04/55/67/871045567.db2.gz CWFVTQGPEFNPSK-TVTNDZMWSA-N 2 1 377.536 3.907 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CCCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000463188944 871127984 /nfs/dbraw/zinc/12/79/84/871127984.db2.gz GIDYSTDRPCHGDX-UHFFFAOYSA-N 2 1 380.532 3.687 20 0 GHADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000463206904 871137867 /nfs/dbraw/zinc/13/78/67/871137867.db2.gz QRTHEVQTYFGMNT-RDPSFJRHSA-N 2 1 377.576 3.728 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039675 871155061 /nfs/dbraw/zinc/15/50/61/871155061.db2.gz YJOQONPFLIQZCM-GBXCKJPGSA-N 3 1 378.564 3.798 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039675 871155070 /nfs/dbraw/zinc/15/50/70/871155070.db2.gz YJOQONPFLIQZCM-GBXCKJPGSA-N 2 1 378.564 3.798 20 0 GHADMP CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001169071046 871159108 /nfs/dbraw/zinc/15/91/08/871159108.db2.gz UDEONRRNGUJTKA-JOCHJYFZSA-N 2 1 380.580 3.994 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000539059135 871196086 /nfs/dbraw/zinc/19/60/86/871196086.db2.gz CKASGWPHRYNSMO-AQNXPRMDSA-N 2 1 378.944 3.830 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC3CCOCC3)c(C(F)(F)F)c1)C2 ZINC001169118022 871208389 /nfs/dbraw/zinc/20/83/89/871208389.db2.gz BZMJJYRNJLYWDM-OSYLJGHBSA-N 2 1 398.469 3.978 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OC3CCOCC3)c(C(F)(F)F)c1)C2 ZINC001169118022 871208403 /nfs/dbraw/zinc/20/84/03/871208403.db2.gz BZMJJYRNJLYWDM-OSYLJGHBSA-N 2 1 398.469 3.978 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169124541 871213984 /nfs/dbraw/zinc/21/39/84/871213984.db2.gz FBFFTOSWVTTXNW-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169124541 871214004 /nfs/dbraw/zinc/21/40/04/871214004.db2.gz FBFFTOSWVTTXNW-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169124541 871214023 /nfs/dbraw/zinc/21/40/23/871214023.db2.gz FBFFTOSWVTTXNW-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539043103 871216606 /nfs/dbraw/zinc/21/66/06/871216606.db2.gz QCYSFKGPHXFXDP-IRLDBZIGSA-N 2 1 378.564 3.941 20 0 GHADMP COc1ccc([C@H]([NH3+])[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(OC)cc2)cc1 ZINC001169108206 871233133 /nfs/dbraw/zinc/23/31/33/871233133.db2.gz PHQANFJHBDHNFC-ULSZTJCNSA-N 2 1 395.547 3.660 20 0 GHADMP CC[C@@H](C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)[NH+](C)C ZINC000540421114 871236283 /nfs/dbraw/zinc/23/62/83/871236283.db2.gz FOYRQMKFQYHEPX-SFTDATJTSA-N 2 1 375.557 3.745 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3cccc(Br)c3)CCOCC1)C2 ZINC001169115745 871247517 /nfs/dbraw/zinc/24/75/17/871247517.db2.gz NWKYDYUOROPLBW-REPLKXPHSA-N 2 1 393.369 3.712 20 0 GHADMP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000463243202 871249655 /nfs/dbraw/zinc/24/96/55/871249655.db2.gz ATUSGSJUVSYTDT-UHFFFAOYSA-N 2 1 393.167 3.615 20 0 GHADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1c[nH+]c2cc(Br)ccn21 ZINC001169178879 871301109 /nfs/dbraw/zinc/30/11/09/871301109.db2.gz CKEXOVJNMJFGFA-UHFFFAOYSA-N 2 1 399.292 3.859 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000465561031 871308770 /nfs/dbraw/zinc/30/87/70/871308770.db2.gz DKRIERDPYVMHJM-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000465561029 871309429 /nfs/dbraw/zinc/30/94/29/871309429.db2.gz DKRIERDPYVMHJM-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(C)(C)C)C2)CC1 ZINC001193808110 871320709 /nfs/dbraw/zinc/32/07/09/871320709.db2.gz RCCWGOKHRFVXNT-NRFANRHFSA-N 2 1 385.596 3.834 20 0 GHADMP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000252741179 871381800 /nfs/dbraw/zinc/38/18/00/871381800.db2.gz IHBWYJDYPBJYNJ-STQMWFEESA-N 2 1 388.147 3.928 20 0 GHADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000252741179 871381819 /nfs/dbraw/zinc/38/18/19/871381819.db2.gz IHBWYJDYPBJYNJ-STQMWFEESA-N 2 1 388.147 3.928 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000525779459 871423561 /nfs/dbraw/zinc/42/35/61/871423561.db2.gz OLJNELXZZVYNID-FUHWJXTLSA-N 2 1 385.474 3.747 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1)CC(C)C ZINC000539170985 871457332 /nfs/dbraw/zinc/45/73/32/871457332.db2.gz PBACJQUSCPULBD-UHFFFAOYSA-N 2 1 380.621 3.508 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001169524074 871600715 /nfs/dbraw/zinc/60/07/15/871600715.db2.gz CFJFNACJKHDOKP-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001169524074 871600724 /nfs/dbraw/zinc/60/07/24/871600724.db2.gz CFJFNACJKHDOKP-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001169524074 871600733 /nfs/dbraw/zinc/60/07/33/871600733.db2.gz CFJFNACJKHDOKP-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001194292741 871629025 /nfs/dbraw/zinc/62/90/25/871629025.db2.gz XEBQGDIMNNRPKS-PMACEKPBSA-N 2 1 377.960 3.510 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001194359022 871635687 /nfs/dbraw/zinc/63/56/87/871635687.db2.gz RPKKEZVQKILMMB-OALUTQOASA-N 2 1 379.589 3.828 20 0 GHADMP CCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000462118418 871647291 /nfs/dbraw/zinc/64/72/91/871647291.db2.gz WCSCFPRYMQRVRU-DNQXCXABSA-N 2 1 393.575 3.885 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000552034576 871658993 /nfs/dbraw/zinc/65/89/93/871658993.db2.gz GUSOGJWRXWUCAM-XWVZOOPGSA-N 2 1 382.548 3.711 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552199501 872194234 /nfs/dbraw/zinc/19/42/34/872194234.db2.gz ZUJMZNLFLSTEDA-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175505425 882590248 /nfs/dbraw/zinc/59/02/48/882590248.db2.gz PVVVWLCDFLJLEG-PXNSSMCTSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(Cl)nc(C2CC2)n1 ZINC000767251019 872360896 /nfs/dbraw/zinc/36/08/96/872360896.db2.gz AWAARMNBQWRJFL-UHFFFAOYSA-N 2 1 391.991 3.640 20 0 GHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3CN(C)C2=O)ccc1OC ZINC000857875434 882605591 /nfs/dbraw/zinc/60/55/91/882605591.db2.gz OJMHTJXXUUBJSE-GAJHUEQPSA-N 2 1 395.547 3.901 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552275969 872371574 /nfs/dbraw/zinc/37/15/74/872371574.db2.gz GOQUELIGGUXKNU-QEJZJMRPSA-N 2 1 377.838 3.595 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552275970 872371814 /nfs/dbraw/zinc/37/18/14/872371814.db2.gz GOQUELIGGUXKNU-SNPRPXQTSA-N 2 1 377.838 3.595 20 0 GHADMP Cc1ccc(-c2nc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cs2)cc1 ZINC000619176485 872393290 /nfs/dbraw/zinc/39/32/90/872393290.db2.gz BFTSIMVYAXWBIF-UHFFFAOYSA-N 2 1 393.516 3.518 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000619177498 872397044 /nfs/dbraw/zinc/39/70/44/872397044.db2.gz OCVPPDVTIOCNNF-UHFFFAOYSA-N 2 1 386.499 3.682 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552356274 872486340 /nfs/dbraw/zinc/48/63/40/872486340.db2.gz KWJQDRUJCBFATR-XMMPIXPASA-N 2 1 387.531 3.852 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552356274 872486348 /nfs/dbraw/zinc/48/63/48/872486348.db2.gz KWJQDRUJCBFATR-XMMPIXPASA-N 2 1 387.531 3.852 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552356274 872486354 /nfs/dbraw/zinc/48/63/54/872486354.db2.gz KWJQDRUJCBFATR-XMMPIXPASA-N 2 1 387.531 3.852 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552356274 872486362 /nfs/dbraw/zinc/48/63/62/872486362.db2.gz KWJQDRUJCBFATR-XMMPIXPASA-N 2 1 387.531 3.852 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(C)cc2C)cc1 ZINC000541026814 872747181 /nfs/dbraw/zinc/74/71/81/872747181.db2.gz HETPHJWINAOKFL-PGRDOPGGSA-N 2 1 379.504 3.888 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)CC1 ZINC000541205370 873132525 /nfs/dbraw/zinc/13/25/25/873132525.db2.gz ZCFYHUABMDIEJL-JBVUFVISSA-N 2 1 375.582 3.606 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448449341 873400724 /nfs/dbraw/zinc/40/07/24/873400724.db2.gz PYQOLIVJXHEINM-VJBMBRPKSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448449341 873400726 /nfs/dbraw/zinc/40/07/26/873400726.db2.gz PYQOLIVJXHEINM-VJBMBRPKSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448449341 873400729 /nfs/dbraw/zinc/40/07/29/873400729.db2.gz PYQOLIVJXHEINM-VJBMBRPKSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448449341 873400731 /nfs/dbraw/zinc/40/07/31/873400731.db2.gz PYQOLIVJXHEINM-VJBMBRPKSA-N 2 1 399.554 3.656 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000448549754 873590354 /nfs/dbraw/zinc/59/03/54/873590354.db2.gz HHSNOIUDKYCOIV-QFIPXVFZSA-N 3 1 378.564 3.942 20 0 GHADMP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000537647433 882752285 /nfs/dbraw/zinc/75/22/85/882752285.db2.gz LIVIOTYEEYMLQV-UHFFFAOYSA-N 2 1 398.551 3.603 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](c3ccc(F)cc3)c3cccnc3)CC2)nc(C)[nH+]1 ZINC000541543709 873805026 /nfs/dbraw/zinc/80/50/26/873805026.db2.gz KHSOSCNXKIWXRE-HSZRJFAPSA-N 2 1 391.494 3.976 20 0 GHADMP C[C@@]1([C@@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892509 874094504 /nfs/dbraw/zinc/09/45/04/874094504.db2.gz YFOPOWDLNRMXIV-VWNXMTODSA-N 2 1 399.579 3.542 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)C[C@H](C)O1 ZINC000177491973 882805469 /nfs/dbraw/zinc/80/54/69/882805469.db2.gz VLZLWSBKOSCDPK-HOTGVXAUSA-N 2 1 390.553 3.509 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000528290479 874343161 /nfs/dbraw/zinc/34/31/61/874343161.db2.gz XPLWVORBGADKQB-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528290479 874343173 /nfs/dbraw/zinc/34/31/73/874343173.db2.gz XPLWVORBGADKQB-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528290479 874343182 /nfs/dbraw/zinc/34/31/82/874343182.db2.gz XPLWVORBGADKQB-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(Br)c1F ZINC000449108039 874480922 /nfs/dbraw/zinc/48/09/22/874480922.db2.gz RZOFXGNBUBCUJG-UHFFFAOYSA-N 2 1 381.289 3.818 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000541919321 874532227 /nfs/dbraw/zinc/53/22/27/874532227.db2.gz XCWAZKVJLPBUIC-PZJWPPBQSA-N 2 1 386.923 3.910 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000464835614 874571971 /nfs/dbraw/zinc/57/19/71/874571971.db2.gz QPZYQAXAIQTWJD-RPWUZVMVSA-N 2 1 396.575 3.805 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000464835614 874571980 /nfs/dbraw/zinc/57/19/80/874571980.db2.gz QPZYQAXAIQTWJD-RPWUZVMVSA-N 2 1 396.575 3.805 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000464835614 874571989 /nfs/dbraw/zinc/57/19/89/874571989.db2.gz QPZYQAXAIQTWJD-RPWUZVMVSA-N 2 1 396.575 3.805 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)[C@H](C)C1 ZINC000528455654 874582837 /nfs/dbraw/zinc/58/28/37/874582837.db2.gz JSKWQYBFRFYVNG-KRPFDRHASA-N 2 1 388.596 3.802 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(Br)c3F)CC2)nc(C)[nH+]1 ZINC000449225122 874615798 /nfs/dbraw/zinc/61/57/98/874615798.db2.gz NUVFGBYVZGJUJC-UHFFFAOYSA-N 2 1 393.304 3.754 20 0 GHADMP CCn1nnc(C)c1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449316268 874722878 /nfs/dbraw/zinc/72/28/78/874722878.db2.gz YCWMTPQWMWUYAL-ZJVRTDGDSA-N 2 1 387.959 3.964 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492503 874925596 /nfs/dbraw/zinc/92/55/96/874925596.db2.gz BYFYCJVBCYDNHU-HVCNVCAESA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492503 874925599 /nfs/dbraw/zinc/92/55/99/874925599.db2.gz BYFYCJVBCYDNHU-HVCNVCAESA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492503 874925600 /nfs/dbraw/zinc/92/56/00/874925600.db2.gz BYFYCJVBCYDNHU-HVCNVCAESA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492503 874925604 /nfs/dbraw/zinc/92/56/04/874925604.db2.gz BYFYCJVBCYDNHU-HVCNVCAESA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508963 874973514 /nfs/dbraw/zinc/97/35/14/874973514.db2.gz VQKPGOVQGHRDBE-ICSRJNTNSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508963 874973523 /nfs/dbraw/zinc/97/35/23/874973523.db2.gz VQKPGOVQGHRDBE-ICSRJNTNSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508963 874973529 /nfs/dbraw/zinc/97/35/29/874973529.db2.gz VQKPGOVQGHRDBE-ICSRJNTNSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508963 874973534 /nfs/dbraw/zinc/97/35/34/874973534.db2.gz VQKPGOVQGHRDBE-ICSRJNTNSA-N 2 1 391.987 3.710 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000449519751 874989392 /nfs/dbraw/zinc/98/93/92/874989392.db2.gz QVEDJKFKOSOVFA-VWNXMTODSA-N 2 1 397.607 3.998 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H](c5ccncc5)C4)[C@H]3C2)cc1 ZINC000449532802 875014433 /nfs/dbraw/zinc/01/44/33/875014433.db2.gz DQHGZICQVVRKRZ-HTUFRPJOSA-N 2 1 377.532 3.802 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152654 875046711 /nfs/dbraw/zinc/04/67/11/875046711.db2.gz JOYWWNZZVUHENX-KXBFYZLASA-N 2 1 381.358 3.509 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001199666884 875112482 /nfs/dbraw/zinc/11/24/82/875112482.db2.gz GRIGPOLJVLPGLJ-DNRQZRRGSA-N 2 1 393.575 3.517 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001199666884 875112492 /nfs/dbraw/zinc/11/24/92/875112492.db2.gz GRIGPOLJVLPGLJ-DNRQZRRGSA-N 2 1 393.575 3.517 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000449672912 875246240 /nfs/dbraw/zinc/24/62/40/875246240.db2.gz YEUPXZYCIXZTFQ-COPCDDAFSA-N 2 1 375.520 3.579 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000449672912 875246254 /nfs/dbraw/zinc/24/62/54/875246254.db2.gz YEUPXZYCIXZTFQ-COPCDDAFSA-N 2 1 375.520 3.579 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000776051342 875279657 /nfs/dbraw/zinc/27/96/57/875279657.db2.gz FZPMDMIQZGTRKT-JSRJAPPDSA-N 2 1 386.584 3.603 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000542361517 875430296 /nfs/dbraw/zinc/43/02/96/875430296.db2.gz AJGRLQYTBLVGMQ-RTWAWAEBSA-N 2 1 398.595 3.970 20 0 GHADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000529059493 875523940 /nfs/dbraw/zinc/52/39/40/875523940.db2.gz WAUSFVQCDGJKAQ-FYYLOGMGSA-N 2 1 394.563 3.903 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000529059493 875523951 /nfs/dbraw/zinc/52/39/51/875523951.db2.gz WAUSFVQCDGJKAQ-FYYLOGMGSA-N 2 1 394.563 3.903 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1 ZINC000465361514 875557121 /nfs/dbraw/zinc/55/71/21/875557121.db2.gz AJEVCGAKLHUEHF-UHFFFAOYSA-N 2 1 396.535 3.671 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1 ZINC000465361514 875557127 /nfs/dbraw/zinc/55/71/27/875557127.db2.gz AJEVCGAKLHUEHF-UHFFFAOYSA-N 2 1 396.535 3.671 20 0 GHADMP CC(C)C[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000449859807 875562228 /nfs/dbraw/zinc/56/22/28/875562228.db2.gz XELAZPWKQSDIED-NQIIRXRSSA-N 2 1 391.519 3.763 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnnn2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000491345789 875622925 /nfs/dbraw/zinc/62/29/25/875622925.db2.gz JKWAMEPERHISFU-OFNKIYASSA-N 2 1 389.547 3.717 20 0 GHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C[C@@H]2CC=CCC2)C3)c1 ZINC001201411538 875672434 /nfs/dbraw/zinc/67/24/34/875672434.db2.gz QDAMBEKIEGYMTA-ZODMCCGTSA-N 2 1 395.591 3.988 20 0 GHADMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C[C@@H]2CC=CCC2)C3)c1 ZINC001201411538 875672438 /nfs/dbraw/zinc/67/24/38/875672438.db2.gz QDAMBEKIEGYMTA-ZODMCCGTSA-N 2 1 395.591 3.988 20 0 GHADMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C[C@@H]2CC=CCC2)C3)c1 ZINC001201411538 875672445 /nfs/dbraw/zinc/67/24/45/875672445.db2.gz QDAMBEKIEGYMTA-ZODMCCGTSA-N 2 1 395.591 3.988 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2cnccc2c1 ZINC000450058087 875877178 /nfs/dbraw/zinc/87/71/78/875877178.db2.gz GVNSQUJFPJSDKM-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP CC[C@H](CC(F)(F)F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450062508 875883764 /nfs/dbraw/zinc/88/37/64/875883764.db2.gz UVELOSSIVAVCSJ-QGZVFWFLSA-N 2 1 391.522 3.620 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)s2)o1 ZINC001201954388 875952218 /nfs/dbraw/zinc/95/22/18/875952218.db2.gz NSQMEEAZELGQRL-GOSISDBHSA-N 2 1 383.517 3.568 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3c(F)cccc3Br)CC2)nc(C)[nH+]1 ZINC000192684676 882986360 /nfs/dbraw/zinc/98/63/60/882986360.db2.gz MHPGJTYYGAZHPK-UHFFFAOYSA-N 2 1 393.304 3.754 20 0 GHADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776256902 876063752 /nfs/dbraw/zinc/06/37/52/876063752.db2.gz HHLXBWJQNSQZAQ-UHFFFAOYSA-N 2 1 379.335 3.898 20 0 GHADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776256902 876063768 /nfs/dbraw/zinc/06/37/68/876063768.db2.gz HHLXBWJQNSQZAQ-UHFFFAOYSA-N 2 1 379.335 3.898 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000785507182 876078127 /nfs/dbraw/zinc/07/81/27/876078127.db2.gz IYYZJRXOMKMXGA-FQEVSTJZSA-N 2 1 388.556 3.834 20 0 GHADMP COc1cccc(NC(=O)CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000173397449 876362530 /nfs/dbraw/zinc/36/25/30/876362530.db2.gz KIGCYAYLQUVBQO-UHFFFAOYSA-N 2 1 381.520 3.620 20 0 GHADMP COc1cccc(NC(=O)CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000173397449 876362542 /nfs/dbraw/zinc/36/25/42/876362542.db2.gz KIGCYAYLQUVBQO-UHFFFAOYSA-N 2 1 381.520 3.620 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000173746582 876605261 /nfs/dbraw/zinc/60/52/61/876605261.db2.gz YXQONKHFARUOGP-PKTZIBPZSA-N 2 1 398.595 3.616 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000850357330 876847905 /nfs/dbraw/zinc/84/79/05/876847905.db2.gz FVPSDBMVRQMSRJ-HXUWFJFHSA-N 2 1 389.337 3.614 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000850421279 876903638 /nfs/dbraw/zinc/90/36/38/876903638.db2.gz SOUKQJOMQOHCJD-CFLQYTFWSA-N 2 1 378.438 3.780 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792023 876942907 /nfs/dbraw/zinc/94/29/07/876942907.db2.gz GJGNLKMOEXBFIW-GOSISDBHSA-N 2 1 380.536 3.907 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000174454007 877033900 /nfs/dbraw/zinc/03/39/00/877033900.db2.gz RNFWKKXOQBYDLI-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581004 877054861 /nfs/dbraw/zinc/05/48/61/877054861.db2.gz CHRIZWVSUNVSDW-VOBQZIQPSA-N 2 1 378.438 3.638 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000648122737 877189111 /nfs/dbraw/zinc/18/91/11/877189111.db2.gz IZNAMBCIHCXMMM-NRSPTQNISA-N 2 1 382.552 3.595 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000477220783 877249392 /nfs/dbraw/zinc/24/93/92/877249392.db2.gz JTAHCOAMHWIINC-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000787303763 877329768 /nfs/dbraw/zinc/32/97/68/877329768.db2.gz SFWSYVYUCFHJKL-RMJJICAUSA-N 2 1 375.557 3.646 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](CC)CC ZINC000551618516 877543617 /nfs/dbraw/zinc/54/36/17/877543617.db2.gz FOPGNEVNMGEBIU-LZQZEXGQSA-N 2 1 383.939 3.709 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000851812294 877923097 /nfs/dbraw/zinc/92/30/97/877923097.db2.gz HGJHLZWXKBEQQN-HKUYNNGSSA-N 2 1 390.505 3.547 20 0 GHADMP C[C@H](CCNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175840720 877932641 /nfs/dbraw/zinc/93/26/41/877932641.db2.gz DREYSWRAWOYLJC-LJQANCHMSA-N 2 1 386.584 3.603 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000285461108 912299471 /nfs/dbraw/zinc/29/94/71/912299471.db2.gz AGFHYDHYLKXTKS-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)oc1C ZINC000530545569 878030612 /nfs/dbraw/zinc/03/06/12/878030612.db2.gz IQNJZGNECDWVJQ-PWRODBHTSA-N 2 1 375.557 3.688 20 0 GHADMP CN(c1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000245555748 878099980 /nfs/dbraw/zinc/09/99/80/878099980.db2.gz IOOPWJZZULQXSX-HSZRJFAPSA-N 2 1 397.563 3.991 20 0 GHADMP CN(c1ccccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000245555748 878099993 /nfs/dbraw/zinc/09/99/93/878099993.db2.gz IOOPWJZZULQXSX-HSZRJFAPSA-N 2 1 397.563 3.991 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000451534202 878156164 /nfs/dbraw/zinc/15/61/64/878156164.db2.gz NATTUJQLBUTATO-OAQYLSRUSA-N 2 1 391.987 3.539 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000451534202 878156170 /nfs/dbraw/zinc/15/61/70/878156170.db2.gz NATTUJQLBUTATO-OAQYLSRUSA-N 2 1 391.987 3.539 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000451534202 878156178 /nfs/dbraw/zinc/15/61/78/878156178.db2.gz NATTUJQLBUTATO-OAQYLSRUSA-N 2 1 391.987 3.539 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCc3ccc(Cl)cc3)C2)CC1 ZINC000451534202 878156191 /nfs/dbraw/zinc/15/61/91/878156191.db2.gz NATTUJQLBUTATO-OAQYLSRUSA-N 2 1 391.987 3.539 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451565702 878162481 /nfs/dbraw/zinc/16/24/81/878162481.db2.gz LSJNFFYTXQCROI-QPAOKJHLSA-N 2 1 378.532 3.539 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451565702 878162487 /nfs/dbraw/zinc/16/24/87/878162487.db2.gz LSJNFFYTXQCROI-QPAOKJHLSA-N 2 1 378.532 3.539 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451565702 878162498 /nfs/dbraw/zinc/16/24/98/878162498.db2.gz LSJNFFYTXQCROI-QPAOKJHLSA-N 2 1 378.532 3.539 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000176377745 878236837 /nfs/dbraw/zinc/23/68/37/878236837.db2.gz VZFQTBYITOGWPE-JOCHJYFZSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001183175098 912331547 /nfs/dbraw/zinc/33/15/47/912331547.db2.gz FGDIEBWVFUYOCY-HSALFYBXSA-N 2 1 386.584 3.725 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245655411 878295958 /nfs/dbraw/zinc/29/59/58/878295958.db2.gz DIPUAQGGWNTJQG-ZDOXGEDHSA-N 2 1 385.596 3.659 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000788817428 878352719 /nfs/dbraw/zinc/35/27/19/878352719.db2.gz LDEYNJSVJZAVDR-MOPGFXCFSA-N 2 1 376.545 3.739 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000646751178 878363975 /nfs/dbraw/zinc/36/39/75/878363975.db2.gz YVFHIASZPUOZFB-SFHVURJKSA-N 2 1 393.531 3.838 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000245685702 878372488 /nfs/dbraw/zinc/37/24/88/878372488.db2.gz WFGDOACGQMATGL-FCHUYYIVSA-N 2 1 384.568 3.528 20 0 GHADMP CC[N@@H+](CCC1CCN(Cc2nc3oc(C)c(C)c3c(N)n2)CC1)CC1CC1 ZINC000537849435 878389654 /nfs/dbraw/zinc/38/96/54/878389654.db2.gz VITPUMXBKQMDLL-UHFFFAOYSA-N 2 1 385.556 3.756 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2nc3oc(C)c(C)c3c(N)n2)CC1)CC1CC1 ZINC000537849435 878389671 /nfs/dbraw/zinc/38/96/71/878389671.db2.gz VITPUMXBKQMDLL-UHFFFAOYSA-N 2 1 385.556 3.756 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc3oc(C)c(C)c3c(N)n2)CC1)CC1CC1 ZINC000537849435 878389689 /nfs/dbraw/zinc/38/96/89/878389689.db2.gz VITPUMXBKQMDLL-UHFFFAOYSA-N 2 1 385.556 3.756 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(C[NH+]2CCC[C@]3(CCOC3)C2)c1 ZINC000451911046 878683778 /nfs/dbraw/zinc/68/37/78/878683778.db2.gz OYLLCGWMPKJXPS-ZEQRLZLVSA-N 2 1 384.564 3.692 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000530902329 878716518 /nfs/dbraw/zinc/71/65/18/878716518.db2.gz FSYMOKGPBSVAPR-HSZRJFAPSA-N 2 1 382.548 3.900 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000538046853 878757505 /nfs/dbraw/zinc/75/75/05/878757505.db2.gz FIHGZHJNLOASGJ-PMACEKPBSA-N 2 1 382.548 3.930 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000245956568 878794781 /nfs/dbraw/zinc/79/47/81/878794781.db2.gz CSMQUXHHQMTVGL-OWCLPIDISA-N 2 1 378.948 3.767 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669992287 878860059 /nfs/dbraw/zinc/86/00/59/878860059.db2.gz MUZGUEDWALYJMQ-JOCHJYFZSA-N 2 1 389.547 3.886 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669992287 878860076 /nfs/dbraw/zinc/86/00/76/878860076.db2.gz MUZGUEDWALYJMQ-JOCHJYFZSA-N 2 1 389.547 3.886 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000853239190 878922897 /nfs/dbraw/zinc/92/28/97/878922897.db2.gz BXYZHMLUIVJCSF-AEFFLSMTSA-N 2 1 388.556 3.623 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000853239190 878922908 /nfs/dbraw/zinc/92/29/08/878922908.db2.gz BXYZHMLUIVJCSF-AEFFLSMTSA-N 2 1 388.556 3.623 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538261472 879105034 /nfs/dbraw/zinc/10/50/34/879105034.db2.gz VOJUTWCUKDBBNP-RZUBCFFCSA-N 2 1 385.596 3.932 20 0 GHADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000178523009 879139756 /nfs/dbraw/zinc/13/97/56/879139756.db2.gz FALYFNLZOMDDLK-SFHVURJKSA-N 2 1 386.511 3.902 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000531143638 879230722 /nfs/dbraw/zinc/23/07/22/879230722.db2.gz FXJSJIWJUWUTGW-GXTWGEPZSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000531143638 879230741 /nfs/dbraw/zinc/23/07/41/879230741.db2.gz FXJSJIWJUWUTGW-GXTWGEPZSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)cc2Br)CC[NH+]1C ZINC000531143638 879230758 /nfs/dbraw/zinc/23/07/58/879230758.db2.gz FXJSJIWJUWUTGW-GXTWGEPZSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)cc2Br)CC[NH+]1C ZINC000531143638 879230777 /nfs/dbraw/zinc/23/07/77/879230777.db2.gz FXJSJIWJUWUTGW-GXTWGEPZSA-N 2 1 375.738 3.896 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000616999891 879306181 /nfs/dbraw/zinc/30/61/81/879306181.db2.gz PPYIMCSVGFVDFW-IEBWSBKVSA-N 2 1 386.584 3.730 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000616999891 879306194 /nfs/dbraw/zinc/30/61/94/879306194.db2.gz PPYIMCSVGFVDFW-IEBWSBKVSA-N 2 1 386.584 3.730 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)c1 ZINC000617345893 879616406 /nfs/dbraw/zinc/61/64/06/879616406.db2.gz KGXMTRAPGIZBPF-QFIPXVFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000617345893 879616412 /nfs/dbraw/zinc/61/64/12/879616412.db2.gz KGXMTRAPGIZBPF-QFIPXVFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000617345893 879616415 /nfs/dbraw/zinc/61/64/15/879616415.db2.gz KGXMTRAPGIZBPF-QFIPXVFZSA-N 2 1 379.548 3.921 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246561993 879686510 /nfs/dbraw/zinc/68/65/10/879686510.db2.gz ZCLQEJBVTZRDJO-FXAWDEMLSA-N 2 1 392.613 3.695 20 0 GHADMP Brc1ccc(C2CC([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)cc1 ZINC000493895314 879724331 /nfs/dbraw/zinc/72/43/31/879724331.db2.gz WHVZQEHUYAQTSJ-UHFFFAOYSA-N 2 1 393.369 3.930 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000493928885 879739940 /nfs/dbraw/zinc/73/99/40/879739940.db2.gz VRJYCLDNESNJJL-QZTJIDSGSA-N 2 1 381.358 3.571 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379252 912494589 /nfs/dbraw/zinc/49/45/89/912494589.db2.gz KYNAEPJRXNZPJZ-QUCCMNQESA-N 2 1 387.568 3.720 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379252 912494597 /nfs/dbraw/zinc/49/45/97/912494597.db2.gz KYNAEPJRXNZPJZ-QUCCMNQESA-N 2 1 387.568 3.720 20 0 GHADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)CC1 ZINC000246838870 879822730 /nfs/dbraw/zinc/82/27/30/879822730.db2.gz CAMCPBIAIHTBDO-JXFKEZNVSA-N 2 1 397.966 3.705 20 0 GHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000247000118 879877242 /nfs/dbraw/zinc/87/72/42/879877242.db2.gz LMHHUHNRFZJVFT-UGKGYDQZSA-N 2 1 395.547 3.627 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000247025474 879889671 /nfs/dbraw/zinc/88/96/71/879889671.db2.gz QSZFWGWZCOWXCE-QRVBRYPASA-N 2 1 392.613 3.647 20 0 GHADMP C[C@@H]1[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000494068282 879890923 /nfs/dbraw/zinc/89/09/23/879890923.db2.gz GEQSHQDBQDQTCF-HYBUGGRVSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247028091 879891677 /nfs/dbraw/zinc/89/16/77/879891677.db2.gz NFSGTPUIBIWEIN-AQNXPRMDSA-N 2 1 386.584 3.632 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000247480240 880008761 /nfs/dbraw/zinc/00/87/61/880008761.db2.gz UJYAVUKLFHBYKN-IEBWSBKVSA-N 2 1 392.613 3.695 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247930383 880088477 /nfs/dbraw/zinc/08/84/77/880088477.db2.gz BZXJHOPLBRGCIA-PXNSSMCTSA-N 2 1 387.593 3.930 20 0 GHADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677646 880308129 /nfs/dbraw/zinc/30/81/29/880308129.db2.gz DUSQWYVSOZZWMU-NHCUHLMSSA-N 2 1 385.577 3.712 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000531704484 880332209 /nfs/dbraw/zinc/33/22/09/880332209.db2.gz QJQISIIJQDUFPM-UGSOOPFHSA-N 2 1 399.398 3.932 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000531723836 880383228 /nfs/dbraw/zinc/38/32/28/880383228.db2.gz JNIFJAFGZCRDFJ-OXQOHEQNSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000531723836 880383247 /nfs/dbraw/zinc/38/32/47/880383247.db2.gz JNIFJAFGZCRDFJ-OXQOHEQNSA-N 2 1 389.337 3.737 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000531758989 880397989 /nfs/dbraw/zinc/39/79/89/880397989.db2.gz GFMJKYZHIGYFEV-DHIUTWEWSA-N 2 1 395.547 3.518 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791471402 880462909 /nfs/dbraw/zinc/46/29/09/880462909.db2.gz NDKWFWKDOQWFOG-FQEVSTJZSA-N 2 1 392.609 3.578 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791471402 880462914 /nfs/dbraw/zinc/46/29/14/880462914.db2.gz NDKWFWKDOQWFOG-FQEVSTJZSA-N 2 1 392.609 3.578 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453107266 880474481 /nfs/dbraw/zinc/47/44/81/880474481.db2.gz ICRZAMGIIDPWBL-SMIHKQSGSA-N 2 1 399.623 3.909 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453107266 880474487 /nfs/dbraw/zinc/47/44/87/880474487.db2.gz ICRZAMGIIDPWBL-SMIHKQSGSA-N 2 1 399.623 3.909 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453107266 880474491 /nfs/dbraw/zinc/47/44/91/880474491.db2.gz ICRZAMGIIDPWBL-SMIHKQSGSA-N 2 1 399.623 3.909 20 0 GHADMP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000776807827 880507020 /nfs/dbraw/zinc/50/70/20/880507020.db2.gz YPFZGVYZYXFYEH-RDPSFJRHSA-N 2 1 393.579 3.546 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000185805900 880699426 /nfs/dbraw/zinc/69/94/26/880699426.db2.gz ONSDOILDDKOVJV-QFIPXVFZSA-N 2 1 380.536 3.780 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453295285 880743283 /nfs/dbraw/zinc/74/32/83/880743283.db2.gz YEGMFYWLATZUER-FPOVZHCZSA-N 2 1 385.596 3.696 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)o1 ZINC000531945745 880764136 /nfs/dbraw/zinc/76/41/36/880764136.db2.gz RKCWXHKCAWKPMP-PTUXOGIPSA-N 2 1 397.563 3.604 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)N2CCOCC2)o1 ZINC000531945745 880764145 /nfs/dbraw/zinc/76/41/45/880764145.db2.gz RKCWXHKCAWKPMP-PTUXOGIPSA-N 2 1 397.563 3.604 20 0 GHADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000453342134 880814956 /nfs/dbraw/zinc/81/49/56/880814956.db2.gz CRNCYGBJZQCPGN-GMKZXUHWSA-N 2 1 386.580 3.803 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000453387750 880841979 /nfs/dbraw/zinc/84/19/79/880841979.db2.gz WDELCRQKDPJGJN-GMISPTPDSA-N 2 1 396.579 3.880 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000453387750 880841995 /nfs/dbraw/zinc/84/19/95/880841995.db2.gz WDELCRQKDPJGJN-GMISPTPDSA-N 2 1 396.579 3.880 20 0 GHADMP Cc1cc(Br)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1 ZINC000453564942 881013037 /nfs/dbraw/zinc/01/30/37/881013037.db2.gz IHWVLUJBGPOJHI-MRXNPFEDSA-N 2 1 395.366 3.675 20 0 GHADMP Cc1cc(Br)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000453564942 881013054 /nfs/dbraw/zinc/01/30/54/881013054.db2.gz IHWVLUJBGPOJHI-MRXNPFEDSA-N 2 1 395.366 3.675 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000119824508 881124984 /nfs/dbraw/zinc/12/49/84/881124984.db2.gz KMUREZGHMFWJQA-SFHVURJKSA-N 2 1 376.504 3.868 20 0 GHADMP Clc1cccnc1N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000119949068 881224046 /nfs/dbraw/zinc/22/40/46/881224046.db2.gz CGGLBQNDGLQXFV-HXUWFJFHSA-N 2 1 384.955 3.610 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000120097508 881260472 /nfs/dbraw/zinc/26/04/72/881260472.db2.gz SUUZGFHPVLAYEL-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H](C)[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000532139590 881278715 /nfs/dbraw/zinc/27/87/15/881278715.db2.gz IKKVIWDYVOFSFJ-UZLBHIALSA-N 2 1 387.959 3.759 20 0 GHADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499149690 881303812 /nfs/dbraw/zinc/30/38/12/881303812.db2.gz HAHZZGPHMXUGMA-WBDAEOGXSA-N 2 1 377.532 3.510 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCCCn2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000551177153 883430459 /nfs/dbraw/zinc/43/04/59/883430459.db2.gz SHKZXMPJQSWWNB-RBUKOAKNSA-N 2 1 391.357 3.851 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCCn2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000551177153 883430465 /nfs/dbraw/zinc/43/04/65/883430465.db2.gz SHKZXMPJQSWWNB-RBUKOAKNSA-N 2 1 391.357 3.851 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000476991016 883527649 /nfs/dbraw/zinc/52/76/49/883527649.db2.gz YCWKJSZKIXTCNS-UYAOXDASSA-N 2 1 378.532 3.542 20 0 GHADMP CCN1C[C@@H](C)[NH+](CC[Si](C)(C)CC[N@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000859221658 883674279 /nfs/dbraw/zinc/67/42/79/883674279.db2.gz WPIZIKMXJCPUEY-MYGLTJDJSA-N 2 1 396.740 3.524 20 0 GHADMP CCN1C[C@@H](C)[N@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000859221658 883674280 /nfs/dbraw/zinc/67/42/80/883674280.db2.gz WPIZIKMXJCPUEY-MYGLTJDJSA-N 2 1 396.740 3.524 20 0 GHADMP CCN1C[C@@H](C)[N@@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000859221658 883674285 /nfs/dbraw/zinc/67/42/85/883674285.db2.gz WPIZIKMXJCPUEY-MYGLTJDJSA-N 2 1 396.740 3.524 20 0 GHADMP Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000428716937 883816692 /nfs/dbraw/zinc/81/66/92/883816692.db2.gz JRPGHNZBJPKSSF-NRFANRHFSA-N 2 1 393.575 3.905 20 0 GHADMP Cc1cc(F)c(F)cc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911654 883835444 /nfs/dbraw/zinc/83/54/44/883835444.db2.gz SKSJKACOXFMRBN-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)c(F)cc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911654 883835453 /nfs/dbraw/zinc/83/54/53/883835453.db2.gz SKSJKACOXFMRBN-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)c(F)cc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911655 883839497 /nfs/dbraw/zinc/83/94/97/883839497.db2.gz SKSJKACOXFMRBN-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)c(F)cc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911655 883839513 /nfs/dbraw/zinc/83/95/13/883839513.db2.gz SKSJKACOXFMRBN-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Fc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1Cl ZINC001211911682 883840627 /nfs/dbraw/zinc/84/06/27/883840627.db2.gz SWPYVQQMLWXJHU-INIZCTEOSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1Cl ZINC001211911682 883840647 /nfs/dbraw/zinc/84/06/47/883840647.db2.gz SWPYVQQMLWXJHU-INIZCTEOSA-N 2 1 398.869 3.718 20 0 GHADMP Cn1c(SCC[C@@H]2CCCC[NH+]2C)nnc1SCC[C@@H]1CCCC[N@H+]1C ZINC000551423941 883851342 /nfs/dbraw/zinc/85/13/42/883851342.db2.gz QNWCLLWPTCIUKG-IRXDYDNUSA-N 2 1 397.658 3.748 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000729603924 883929229 /nfs/dbraw/zinc/92/92/29/883929229.db2.gz YMGIQFRELURSSR-UHFFFAOYSA-N 2 1 388.600 3.805 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)NC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418380495 884020255 /nfs/dbraw/zinc/02/02/55/884020255.db2.gz FNDWJQBTDICLJA-UHFFFAOYSA-N 2 1 394.563 3.600 20 0 GHADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000494881239 884108224 /nfs/dbraw/zinc/10/82/24/884108224.db2.gz VZCLQBSWFXQNKB-QPPBQGQZSA-N 2 1 398.522 3.915 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531187 884327304 /nfs/dbraw/zinc/32/73/04/884327304.db2.gz AFZBCHDHJHXACS-FPOVZHCZSA-N 2 1 399.623 3.885 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531187 884327323 /nfs/dbraw/zinc/32/73/23/884327323.db2.gz AFZBCHDHJHXACS-FPOVZHCZSA-N 2 1 399.623 3.885 20 0 GHADMP C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000263181722 884372635 /nfs/dbraw/zinc/37/26/35/884372635.db2.gz VPDMBOKGHFMONE-FMTUWFKASA-N 2 1 377.532 3.577 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000170801067 884558107 /nfs/dbraw/zinc/55/81/07/884558107.db2.gz CJKXLVHGCIUJNO-QHCPKHFHSA-N 2 1 395.547 3.665 20 0 GHADMP Clc1cc(Cl)c2c(c1)C=C(C[NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CO2 ZINC000130391876 884623806 /nfs/dbraw/zinc/62/38/06/884623806.db2.gz YJFGIXJCHDNRJE-AWEZNQCLSA-N 2 1 397.346 3.860 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000249474384 912851336 /nfs/dbraw/zinc/85/13/36/912851336.db2.gz VGKWHHVQXFEUNX-YYDVJCTNSA-N 2 1 397.563 3.893 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000249474384 912851352 /nfs/dbraw/zinc/85/13/52/912851352.db2.gz VGKWHHVQXFEUNX-YYDVJCTNSA-N 2 1 397.563 3.893 20 0 GHADMP CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)o1 ZINC000761914204 884958206 /nfs/dbraw/zinc/95/82/06/884958206.db2.gz CRNFNQSUKGEZIM-UHFFFAOYSA-N 2 1 378.436 3.728 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598960 884988057 /nfs/dbraw/zinc/98/80/57/884988057.db2.gz OEDPIJXQUDBYSA-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000460365427 885010241 /nfs/dbraw/zinc/01/02/41/885010241.db2.gz VINPYKBCRHQRPF-GZOXUSKESA-N 2 1 379.548 3.988 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000460365427 885010255 /nfs/dbraw/zinc/01/02/55/885010255.db2.gz VINPYKBCRHQRPF-GZOXUSKESA-N 2 1 379.548 3.988 20 0 GHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498622221 885061948 /nfs/dbraw/zinc/06/19/48/885061948.db2.gz XEKYNHHUOFUNEA-XZOQPEGZSA-N 2 1 377.532 3.604 20 0 GHADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000106484037 885071056 /nfs/dbraw/zinc/07/10/56/885071056.db2.gz MDZFMFWPSPBPDU-CQSZACIVSA-N 2 1 382.335 3.979 20 0 GHADMP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000537537764 885098683 /nfs/dbraw/zinc/09/86/83/885098683.db2.gz ZEOPQZGUPYHEMC-WMZHIEFXSA-N 2 1 383.536 3.501 20 0 GHADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130833594 885196398 /nfs/dbraw/zinc/19/63/98/885196398.db2.gz TZCLABQGVCBWKL-JOCHJYFZSA-N 2 1 398.551 3.666 20 0 GHADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130833594 885196427 /nfs/dbraw/zinc/19/64/27/885196427.db2.gz TZCLABQGVCBWKL-JOCHJYFZSA-N 2 1 398.551 3.666 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1)c1ccccc1 ZINC000460384817 885199490 /nfs/dbraw/zinc/19/94/90/885199490.db2.gz HBKSUVXCEGFNBD-DENIHFKCSA-N 2 1 397.588 3.520 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000648764401 885295117 /nfs/dbraw/zinc/29/51/17/885295117.db2.gz LSOYOEXCESOPBB-IBGZPJMESA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000648764401 885295137 /nfs/dbraw/zinc/29/51/37/885295137.db2.gz LSOYOEXCESOPBB-IBGZPJMESA-N 2 1 382.552 3.767 20 0 GHADMP C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691528 885324492 /nfs/dbraw/zinc/32/44/92/885324492.db2.gz DIEARYKCJIFNCJ-PMVMPFDFSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498707582 885392325 /nfs/dbraw/zinc/39/23/25/885392325.db2.gz UQBMCNHYYBCOSV-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707582 885392349 /nfs/dbraw/zinc/39/23/49/885392349.db2.gz UQBMCNHYYBCOSV-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707582 885392368 /nfs/dbraw/zinc/39/23/68/885392368.db2.gz UQBMCNHYYBCOSV-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001170523710 885422254 /nfs/dbraw/zinc/42/22/54/885422254.db2.gz IECYTPLKHIJEAO-QPXUXIHVSA-N 2 1 392.543 3.976 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000072015546 885430635 /nfs/dbraw/zinc/43/06/35/885430635.db2.gz CFWWRLKMIMRFGF-LEWJYISDSA-N 2 1 385.577 3.912 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000303088640 885452100 /nfs/dbraw/zinc/45/21/00/885452100.db2.gz YPJKXOPSIMYGEE-KRWDZBQOSA-N 2 1 379.976 3.789 20 0 GHADMP O=c1[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccccc21 ZINC000643902094 912936429 /nfs/dbraw/zinc/93/64/29/912936429.db2.gz RZQHBVFMCKJTNR-UHFFFAOYSA-N 2 1 388.515 3.824 20 0 GHADMP O=c1[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccccc21 ZINC000643902094 912936437 /nfs/dbraw/zinc/93/64/37/912936437.db2.gz RZQHBVFMCKJTNR-UHFFFAOYSA-N 2 1 388.515 3.824 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000303130362 885462466 /nfs/dbraw/zinc/46/24/66/885462466.db2.gz KFPKJKJLCQBDQG-VWPQPMDRSA-N 2 1 386.584 3.552 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000303515376 885605690 /nfs/dbraw/zinc/60/56/90/885605690.db2.gz XUONAWMLIYBSOF-UHFFFAOYSA-N 2 1 391.559 3.730 20 0 GHADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000532526650 885892948 /nfs/dbraw/zinc/89/29/48/885892948.db2.gz ZKXXLCMESSQONB-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000532526650 885892958 /nfs/dbraw/zinc/89/29/58/885892958.db2.gz ZKXXLCMESSQONB-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000556715490 885965834 /nfs/dbraw/zinc/96/58/34/885965834.db2.gz PIZHGHNCBUWEEJ-OAQYLSRUSA-N 2 1 385.939 3.969 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC(C)(C)[N@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC001168209034 886027534 /nfs/dbraw/zinc/02/75/34/886027534.db2.gz JIHSVYXYXNJGQB-HXUWFJFHSA-N 2 1 394.563 3.656 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC(C)(C)[N@@H+](Cc3ccccc3)CC1(C)C)CC2 ZINC001168209034 886027544 /nfs/dbraw/zinc/02/75/44/886027544.db2.gz JIHSVYXYXNJGQB-HXUWFJFHSA-N 2 1 394.563 3.656 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000465553579 886523943 /nfs/dbraw/zinc/52/39/43/886523943.db2.gz VXRVQSMMPDONIJ-LEWJYISDSA-N 2 1 388.600 3.831 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C3c4ccccc4C(c4ccccc43)[C@@H]1[NH3+])C2 ZINC001168242644 886528530 /nfs/dbraw/zinc/52/85/30/886528530.db2.gz DEPIJFNINVJHLD-CAOPNEKNSA-N 2 1 382.507 3.739 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057138374 886531969 /nfs/dbraw/zinc/53/19/69/886531969.db2.gz XOBFPAQOOWQGQK-XMMPIXPASA-N 2 1 391.559 3.811 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000919860938 886628405 /nfs/dbraw/zinc/62/84/05/886628405.db2.gz KMQZKZWJEYVEIU-UHFFFAOYSA-N 2 1 386.908 3.954 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC001184265198 913107233 /nfs/dbraw/zinc/10/72/33/913107233.db2.gz QEOMRRVEQWKZEI-UWWRCVJCSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762925181 887108522 /nfs/dbraw/zinc/10/85/22/887108522.db2.gz CDSMKJDOGGMDNJ-UHFFFAOYSA-N 2 1 392.543 3.890 20 0 GHADMP CCOc1cc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)cc(Cl)c1O ZINC000459364698 887714407 /nfs/dbraw/zinc/71/44/07/887714407.db2.gz WJIAGBYUAQOHJN-UHFFFAOYSA-N 2 1 384.948 3.767 20 0 GHADMP COCC[NH+](CCOC)C1CC[NH+](Cc2ccccc2-c2ccccc2)CC1 ZINC000809706645 887724542 /nfs/dbraw/zinc/72/45/42/887724542.db2.gz GLZMVKOWMINPLL-UHFFFAOYSA-N 2 1 382.548 3.913 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001184403207 913186367 /nfs/dbraw/zinc/18/63/67/913186367.db2.gz AHGXRDZQWMOUTM-QUCCMNQESA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403207 913186375 /nfs/dbraw/zinc/18/63/75/913186375.db2.gz AHGXRDZQWMOUTM-QUCCMNQESA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403207 913186385 /nfs/dbraw/zinc/18/63/85/913186385.db2.gz AHGXRDZQWMOUTM-QUCCMNQESA-N 2 1 391.987 3.933 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1CCC[NH+](Cc3ccc(Cl)cc3)C1)C2 ZINC001184405845 913193053 /nfs/dbraw/zinc/19/30/53/913193053.db2.gz MLQPIGZCZIUKFJ-ZIBCJSCZSA-N 2 1 389.971 3.684 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc3ccc(Cl)cc3)C1)C2 ZINC001184405845 913193063 /nfs/dbraw/zinc/19/30/63/913193063.db2.gz MLQPIGZCZIUKFJ-ZIBCJSCZSA-N 2 1 389.971 3.684 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccc(Cl)cc3)C1)C2 ZINC001184405845 913193068 /nfs/dbraw/zinc/19/30/68/913193068.db2.gz MLQPIGZCZIUKFJ-ZIBCJSCZSA-N 2 1 389.971 3.684 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810084761 888136496 /nfs/dbraw/zinc/13/64/96/888136496.db2.gz FBQUXGVVTZQEIV-FQEVSTJZSA-N 2 1 390.572 3.941 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC(F)F ZINC000865398393 888323555 /nfs/dbraw/zinc/32/35/55/888323555.db2.gz VAEQFWLPRLUEOI-GOSISDBHSA-N 2 1 397.510 3.789 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)c1 ZINC000865433154 888346959 /nfs/dbraw/zinc/34/69/59/888346959.db2.gz GJCMAFOOKHWAIB-UHFFFAOYSA-N 2 1 399.539 3.954 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)c1 ZINC000865433154 888346973 /nfs/dbraw/zinc/34/69/73/888346973.db2.gz GJCMAFOOKHWAIB-UHFFFAOYSA-N 2 1 399.539 3.954 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193797859 888524958 /nfs/dbraw/zinc/52/49/58/888524958.db2.gz STADKMLZAFAQJC-LJQANCHMSA-N 2 1 391.515 3.746 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480252 888580810 /nfs/dbraw/zinc/58/08/10/888580810.db2.gz LBHHQMWJDOTHBT-VKFKNLQPSA-N 3 1 378.564 3.800 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000643480252 888580821 /nfs/dbraw/zinc/58/08/21/888580821.db2.gz LBHHQMWJDOTHBT-VKFKNLQPSA-N 2 1 378.564 3.800 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480252 888580833 /nfs/dbraw/zinc/58/08/33/888580833.db2.gz LBHHQMWJDOTHBT-VKFKNLQPSA-N 2 1 378.564 3.800 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810568241 888628853 /nfs/dbraw/zinc/62/88/53/888628853.db2.gz XFSNXUFXBZMRHM-PGRDOPGGSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810568241 888628855 /nfs/dbraw/zinc/62/88/55/888628855.db2.gz XFSNXUFXBZMRHM-PGRDOPGGSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810568241 888628864 /nfs/dbraw/zinc/62/88/64/888628864.db2.gz XFSNXUFXBZMRHM-PGRDOPGGSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137846 888650210 /nfs/dbraw/zinc/65/02/10/888650210.db2.gz SNWYGKLZWSVWCC-AZUAARDMSA-N 2 1 379.504 3.816 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137822 888650344 /nfs/dbraw/zinc/65/03/44/888650344.db2.gz SNWYGKLZWSVWCC-ICSRJNTNSA-N 2 1 379.504 3.816 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccc1I ZINC000537968117 888827704 /nfs/dbraw/zinc/82/77/04/888827704.db2.gz RCIPJWRKHSNJPG-OLZOCXBDSA-N 2 1 383.277 3.783 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2c(ccnc2Cl)o1 ZINC000866389526 888853478 /nfs/dbraw/zinc/85/34/78/888853478.db2.gz USXVKPWRLOCLQX-RHSMWYFYSA-N 2 1 385.895 3.899 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867422 888969922 /nfs/dbraw/zinc/96/99/22/888969922.db2.gz VDYSMYFOBQXCLA-JOCHJYFZSA-N 2 1 381.580 3.560 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867422 888969937 /nfs/dbraw/zinc/96/99/37/888969937.db2.gz VDYSMYFOBQXCLA-JOCHJYFZSA-N 2 1 381.580 3.560 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1)CC1CC1 ZINC000810867422 888969942 /nfs/dbraw/zinc/96/99/42/888969942.db2.gz VDYSMYFOBQXCLA-JOCHJYFZSA-N 2 1 381.580 3.560 20 0 GHADMP C[C@H]1C[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000868183900 889340441 /nfs/dbraw/zinc/34/04/41/889340441.db2.gz VJYHIEMLCAXTAP-HAFPXEGZSA-N 2 1 378.520 3.676 20 0 GHADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467422 889627497 /nfs/dbraw/zinc/62/74/97/889627497.db2.gz MFHWISDDQHBTFL-QWFCFKBJSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467422 889627505 /nfs/dbraw/zinc/62/75/05/889627505.db2.gz MFHWISDDQHBTFL-QWFCFKBJSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467422 889627514 /nfs/dbraw/zinc/62/75/14/889627514.db2.gz MFHWISDDQHBTFL-QWFCFKBJSA-N 2 1 379.589 3.875 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795047253 889699966 /nfs/dbraw/zinc/69/99/66/889699966.db2.gz XHEHMHOMFZYKIP-YADHBBJMSA-N 2 1 396.535 3.609 20 0 GHADMP CCOc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000644569836 913373335 /nfs/dbraw/zinc/37/33/35/913373335.db2.gz FGOJYKQLEUSWHZ-KNQAVFIVSA-N 2 1 398.547 3.640 20 0 GHADMP c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c(C[NH+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000124794461 889766206 /nfs/dbraw/zinc/76/62/06/889766206.db2.gz WIHACMYFJZXUPP-BGYRXZFFSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(C[NH+](C[C@H]2CCOC2)C2CC2)c1 ZINC000124794461 889766209 /nfs/dbraw/zinc/76/62/09/889766209.db2.gz WIHACMYFJZXUPP-BGYRXZFFSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(C[NH+](C[C@H]2CCOC2)C2CC2)c1 ZINC000124794461 889766214 /nfs/dbraw/zinc/76/62/14/889766214.db2.gz WIHACMYFJZXUPP-BGYRXZFFSA-N 2 1 384.564 3.688 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)cc1 ZINC000125451321 889999415 /nfs/dbraw/zinc/99/94/15/889999415.db2.gz AKALYQBVMOKAEQ-DEOSSOPVSA-N 2 1 385.596 3.755 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CO[C@H]1CCCc2ccccc21 ZINC000644635991 913416896 /nfs/dbraw/zinc/41/68/96/913416896.db2.gz XJSVEYQWQFCSCP-PFATUAPWSA-N 2 1 394.559 3.553 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246070418 890308033 /nfs/dbraw/zinc/30/80/33/890308033.db2.gz HTCOBMLIYBLTLD-MJGOQNOKSA-N 2 1 383.540 3.615 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246070418 890308041 /nfs/dbraw/zinc/30/80/41/890308041.db2.gz HTCOBMLIYBLTLD-MJGOQNOKSA-N 2 1 383.540 3.615 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000917008530 890735537 /nfs/dbraw/zinc/73/55/37/890735537.db2.gz LVYVWBOXKLDBMA-MBSDFSHPSA-N 2 1 398.547 3.759 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126810349 890739653 /nfs/dbraw/zinc/73/96/53/890739653.db2.gz IKPGEWSNGHUUGG-MZYLBHOOSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126810349 890739666 /nfs/dbraw/zinc/73/96/66/890739666.db2.gz IKPGEWSNGHUUGG-MZYLBHOOSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126810349 890739672 /nfs/dbraw/zinc/73/96/72/890739672.db2.gz IKPGEWSNGHUUGG-MZYLBHOOSA-N 2 1 381.564 3.516 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000246468331 891266859 /nfs/dbraw/zinc/26/68/59/891266859.db2.gz PVJGXXKREALWKG-JDMFINLCSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000246468331 891266875 /nfs/dbraw/zinc/26/68/75/891266875.db2.gz PVJGXXKREALWKG-JDMFINLCSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000246468331 891266891 /nfs/dbraw/zinc/26/68/91/891266891.db2.gz PVJGXXKREALWKG-JDMFINLCSA-N 2 1 398.595 3.554 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000644908261 913543395 /nfs/dbraw/zinc/54/33/95/913543395.db2.gz GBDXQKDYTVEZSE-HSZRJFAPSA-N 2 1 384.564 3.942 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000127948204 891331046 /nfs/dbraw/zinc/33/10/46/891331046.db2.gz FEAXZMCZLRCRFP-MOPGFXCFSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000247969261 891403748 /nfs/dbraw/zinc/40/37/48/891403748.db2.gz ITJGTTBMFQSZJI-AGILITTLSA-N 2 1 378.564 3.719 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000247969261 891403756 /nfs/dbraw/zinc/40/37/56/891403756.db2.gz ITJGTTBMFQSZJI-AGILITTLSA-N 2 1 378.564 3.719 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325422 891487783 /nfs/dbraw/zinc/48/77/83/891487783.db2.gz DKZFTTYBZIFYRK-QUCCMNQESA-N 2 1 375.557 3.964 20 0 GHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000128232918 891493674 /nfs/dbraw/zinc/49/36/74/891493674.db2.gz ZDFADEHPKMGPTF-NRFANRHFSA-N 2 1 381.564 3.944 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000116561624 891596838 /nfs/dbraw/zinc/59/68/38/891596838.db2.gz QLQUBZVGNSQUHW-NQIIRXRSSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000497557690 891858855 /nfs/dbraw/zinc/85/88/55/891858855.db2.gz DJIIKLGMOMEALN-WMZHIEFXSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)nc(C)[nH+]1 ZINC000162240625 892139340 /nfs/dbraw/zinc/13/93/40/892139340.db2.gz ARWWEHXDXNAGMN-HNNXBMFYSA-N 2 1 393.535 3.643 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnn2)cc1 ZINC000508693303 892648718 /nfs/dbraw/zinc/64/87/18/892648718.db2.gz AVDIAIKTORGGKI-CNNODRBYSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696255 892656525 /nfs/dbraw/zinc/65/65/25/892656525.db2.gz HBLRSWHUQRBFLJ-URXFXBBRSA-N 2 1 393.575 3.884 20 0 GHADMP C[C@@H](Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708257 892775372 /nfs/dbraw/zinc/77/53/72/892775372.db2.gz ARYLBDWTIXQMBP-ZJSXRUAMSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508708257 892775384 /nfs/dbraw/zinc/77/53/84/892775384.db2.gz ARYLBDWTIXQMBP-ZJSXRUAMSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708257 892775392 /nfs/dbraw/zinc/77/53/92/892775392.db2.gz ARYLBDWTIXQMBP-ZJSXRUAMSA-N 2 1 392.591 3.757 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563120149 893374188 /nfs/dbraw/zinc/37/41/88/893374188.db2.gz TXDIFAWDVFIZQN-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000533892472 893382443 /nfs/dbraw/zinc/38/24/43/893382443.db2.gz PFTGKIZCKNNCAL-XZOQPEGZSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000533892472 893382466 /nfs/dbraw/zinc/38/24/66/893382466.db2.gz PFTGKIZCKNNCAL-XZOQPEGZSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533892472 893382486 /nfs/dbraw/zinc/38/24/86/893382486.db2.gz PFTGKIZCKNNCAL-XZOQPEGZSA-N 2 1 394.563 3.771 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934379 893439591 /nfs/dbraw/zinc/43/95/91/893439591.db2.gz HYFSCTQJNDNTEM-DYESRHJHSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934379 893439601 /nfs/dbraw/zinc/43/96/01/893439601.db2.gz HYFSCTQJNDNTEM-DYESRHJHSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934379 893439606 /nfs/dbraw/zinc/43/96/06/893439606.db2.gz HYFSCTQJNDNTEM-DYESRHJHSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934379 893439611 /nfs/dbraw/zinc/43/96/11/893439611.db2.gz HYFSCTQJNDNTEM-DYESRHJHSA-N 2 1 387.568 3.752 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199907 893549575 /nfs/dbraw/zinc/54/95/75/893549575.db2.gz FCHKMMXYBGESAA-OALUTQOASA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199907 893549597 /nfs/dbraw/zinc/54/95/97/893549597.db2.gz FCHKMMXYBGESAA-OALUTQOASA-N 2 1 376.545 3.693 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCCC34CCCC4)c2)C1 ZINC000556077722 893648748 /nfs/dbraw/zinc/64/87/48/893648748.db2.gz ZTIAOQNJLNNERB-VXKWHMMOSA-N 2 1 383.580 3.977 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3cccc(C)c3)CC2)CC1 ZINC000563374908 893678645 /nfs/dbraw/zinc/67/86/45/893678645.db2.gz SJKOGJIFMQEXPS-HSZRJFAPSA-N 2 1 383.580 3.855 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000536828151 893858932 /nfs/dbraw/zinc/85/89/32/893858932.db2.gz QCOJQTRQDQNOMU-DYXWJJEUSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(Cc3ccncc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000536829891 893939726 /nfs/dbraw/zinc/93/97/26/893939726.db2.gz AGUGXDIAGWZASZ-URXFXBBRSA-N 2 1 392.591 3.936 20 0 GHADMP C[C@H]1[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCN1Cc1ccccc1 ZINC000645383317 913866217 /nfs/dbraw/zinc/86/62/17/913866217.db2.gz MVAYKUKULSPGJK-SQJMNOBHSA-N 2 1 393.575 3.662 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001135451380 894608668 /nfs/dbraw/zinc/60/86/68/894608668.db2.gz STASZXPNNGUQOS-HXUWFJFHSA-N 2 1 375.601 3.946 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000537324789 894776728 /nfs/dbraw/zinc/77/67/28/894776728.db2.gz GLFMMSOUONDPGN-PZJWPPBQSA-N 2 1 393.579 3.859 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000816451144 894839937 /nfs/dbraw/zinc/83/99/37/894839937.db2.gz IDQBBCXAHKYXDR-JUXOCIIHSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000816451144 894839946 /nfs/dbraw/zinc/83/99/46/894839946.db2.gz IDQBBCXAHKYXDR-JUXOCIIHSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000816451144 894839965 /nfs/dbraw/zinc/83/99/65/894839965.db2.gz IDQBBCXAHKYXDR-JUXOCIIHSA-N 2 1 376.516 3.653 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564319142 894860046 /nfs/dbraw/zinc/86/00/46/894860046.db2.gz CZEFGHCGZPPCCB-FVQBIDKESA-N 2 1 398.391 3.991 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564319142 894860058 /nfs/dbraw/zinc/86/00/58/894860058.db2.gz CZEFGHCGZPPCCB-FVQBIDKESA-N 2 1 398.391 3.991 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816552110 894938611 /nfs/dbraw/zinc/93/86/11/894938611.db2.gz AWXIHEIZSDXPCL-TXPKVOOTSA-N 2 1 393.597 3.976 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816552110 894938617 /nfs/dbraw/zinc/93/86/17/894938617.db2.gz AWXIHEIZSDXPCL-TXPKVOOTSA-N 2 1 393.597 3.976 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)CC[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000564838596 895275924 /nfs/dbraw/zinc/27/59/24/895275924.db2.gz PWMVYIZUEXSEQL-NWSQWKLXSA-N 2 1 379.548 3.884 20 0 GHADMP CC(C)C[C@@H]([NH3+])c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000564960026 895327119 /nfs/dbraw/zinc/32/71/19/895327119.db2.gz ZUAMFJFMJRMWGF-GOSISDBHSA-N 2 1 381.524 3.885 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC(c1ccccc1)c1ccccc1 ZINC000565363100 895567289 /nfs/dbraw/zinc/56/72/89/895567289.db2.gz DSBNWARYEOTYDG-PKTZIBPZSA-N 2 1 391.559 3.604 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000565775110 895867898 /nfs/dbraw/zinc/86/78/98/895867898.db2.gz HDWIJZDZUJKHHP-DNVCBOLYSA-N 2 1 398.378 3.506 20 0 GHADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1OCC(F)F ZINC000289098728 914034218 /nfs/dbraw/zinc/03/42/18/914034218.db2.gz LXXPIXGRJNCWSK-UHFFFAOYSA-N 2 1 386.483 3.652 20 0 GHADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1OCC(F)F ZINC000289098728 914034232 /nfs/dbraw/zinc/03/42/32/914034232.db2.gz LXXPIXGRJNCWSK-UHFFFAOYSA-N 2 1 386.483 3.652 20 0 GHADMP O=c1[nH]c2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216239 896176928 /nfs/dbraw/zinc/17/69/28/896176928.db2.gz WUMNKFIYHNRGFE-LJQANCHMSA-N 2 1 376.504 3.529 20 0 GHADMP O=c1[nH]c2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216239 896176933 /nfs/dbraw/zinc/17/69/33/896176933.db2.gz WUMNKFIYHNRGFE-LJQANCHMSA-N 2 1 376.504 3.529 20 0 GHADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566244112 896196578 /nfs/dbraw/zinc/19/65/78/896196578.db2.gz AFCBVERKZIUMGY-JVXMTQNBSA-N 2 1 383.561 3.559 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3c(F)cccc3F)CC2)cs1 ZINC000819048766 896340530 /nfs/dbraw/zinc/34/05/30/896340530.db2.gz BEZCCJNTDDYSAT-SFHVURJKSA-N 2 1 395.519 3.519 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CC2)oc1C ZINC000819052424 896342277 /nfs/dbraw/zinc/34/22/77/896342277.db2.gz GJMVIRQYUXINMU-IBGZPJMESA-N 2 1 395.906 3.619 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000566913442 896690912 /nfs/dbraw/zinc/69/09/12/896690912.db2.gz WUOWGVIJQXBSTC-JTHBVZDNSA-N 2 1 379.548 3.837 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000567033218 896816643 /nfs/dbraw/zinc/81/66/43/896816643.db2.gz QIKICVUQNOIUQA-OAHLLOKOSA-N 2 1 379.346 3.841 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000567048456 896829535 /nfs/dbraw/zinc/82/95/35/896829535.db2.gz DBCFNRJUNQTRER-HZPDHXFCSA-N 2 1 389.341 3.661 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931148 896843869 /nfs/dbraw/zinc/84/38/69/896843869.db2.gz MVCKCWJFSPKATL-SXWKCWPCSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931148 896843882 /nfs/dbraw/zinc/84/38/82/896843882.db2.gz MVCKCWJFSPKATL-SXWKCWPCSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931148 896843899 /nfs/dbraw/zinc/84/38/99/896843899.db2.gz MVCKCWJFSPKATL-SXWKCWPCSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931150 896844390 /nfs/dbraw/zinc/84/43/90/896844390.db2.gz MVCKCWJFSPKATL-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931150 896844398 /nfs/dbraw/zinc/84/43/98/896844398.db2.gz MVCKCWJFSPKATL-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931150 896844409 /nfs/dbraw/zinc/84/44/09/896844409.db2.gz MVCKCWJFSPKATL-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000567103531 896876597 /nfs/dbraw/zinc/87/65/97/896876597.db2.gz HSCLOFXYHOWQBN-GRYUFTJMSA-N 2 1 394.559 3.536 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000567213727 896973114 /nfs/dbraw/zinc/97/31/14/896973114.db2.gz ACGAYQQJGMTAMD-PKTZIBPZSA-N 2 1 382.548 3.627 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000567624634 897301458 /nfs/dbraw/zinc/30/14/58/897301458.db2.gz UUQARURQUANPTB-UHFFFAOYSA-N 2 1 383.580 3.589 20 0 GHADMP OC1(CC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000883343561 897511512 /nfs/dbraw/zinc/51/15/12/897511512.db2.gz RFYLDBXZDURCCH-QFIPXVFZSA-N 2 1 390.531 3.506 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170960854 897797562 /nfs/dbraw/zinc/79/75/62/897797562.db2.gz IMIOYPFMWCUHBT-GOSISDBHSA-N 2 1 393.547 3.509 20 0 GHADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001136428819 897803908 /nfs/dbraw/zinc/80/39/08/897803908.db2.gz NNWWRGLYFRUCDL-JOCHJYFZSA-N 2 1 385.596 3.664 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000133041667 898099029 /nfs/dbraw/zinc/09/90/29/898099029.db2.gz XDFHJSJOITUKGC-RYRKJORJSA-N 2 1 379.570 3.730 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000133041667 898099049 /nfs/dbraw/zinc/09/90/49/898099049.db2.gz XDFHJSJOITUKGC-RYRKJORJSA-N 2 1 379.570 3.730 20 0 GHADMP COc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc(C(F)(F)F)c1 ZINC001202629726 898561856 /nfs/dbraw/zinc/56/18/56/898561856.db2.gz QWHMSWGNKDXTPC-UHFFFAOYSA-N 2 1 397.441 3.729 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c(C)c2)CC1 ZINC000569405317 898628513 /nfs/dbraw/zinc/62/85/13/898628513.db2.gz KYQRSUQPRHYIBV-UHFFFAOYSA-N 2 1 386.584 3.730 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001136651575 898766117 /nfs/dbraw/zinc/76/61/17/898766117.db2.gz MTMSYEFVSARQPB-HSZRJFAPSA-N 2 1 391.559 3.667 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289747147 914328379 /nfs/dbraw/zinc/32/83/79/914328379.db2.gz QMEGAFJAXWBOCL-AIZNXBIQSA-N 2 1 387.531 3.991 20 0 GHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289747147 914328390 /nfs/dbraw/zinc/32/83/90/914328390.db2.gz QMEGAFJAXWBOCL-AIZNXBIQSA-N 2 1 387.531 3.991 20 0 GHADMP C[NH+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289747147 914328400 /nfs/dbraw/zinc/32/84/00/914328400.db2.gz QMEGAFJAXWBOCL-AIZNXBIQSA-N 2 1 387.531 3.991 20 0 GHADMP C[NH+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289747147 914328409 /nfs/dbraw/zinc/32/84/09/914328409.db2.gz QMEGAFJAXWBOCL-AIZNXBIQSA-N 2 1 387.531 3.991 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000118806035 899472280 /nfs/dbraw/zinc/47/22/80/899472280.db2.gz NPJNKIVECLVYCP-IBGZPJMESA-N 2 1 383.540 3.860 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000118806035 899472290 /nfs/dbraw/zinc/47/22/90/899472290.db2.gz NPJNKIVECLVYCP-IBGZPJMESA-N 2 1 383.540 3.860 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000570676400 899498959 /nfs/dbraw/zinc/49/89/59/899498959.db2.gz ODQCBVIWJAATKH-JHMXWDHMSA-N 2 1 394.559 3.702 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571303455 899821782 /nfs/dbraw/zinc/82/17/82/899821782.db2.gz BZAQNDSLPAFQRX-NTKDMRAZSA-N 2 1 392.547 3.514 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000333048962 899920974 /nfs/dbraw/zinc/92/09/74/899920974.db2.gz PXGMSOSBFIKULU-JOCHJYFZSA-N 2 1 397.563 3.764 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000646301685 914392902 /nfs/dbraw/zinc/39/29/02/914392902.db2.gz CWIWMSTZLUEANO-GOSISDBHSA-N 2 1 397.519 3.530 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000571623056 899928967 /nfs/dbraw/zinc/92/89/67/899928967.db2.gz RSBTWVKFTBYPGU-VQTJNVASSA-N 2 1 381.524 3.564 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(c3cnc[nH]3)CC2)CC1 ZINC000333243105 900062150 /nfs/dbraw/zinc/06/21/50/900062150.db2.gz ITQWVHPYBFZXPD-QGZVFWFLSA-N 2 1 381.524 3.524 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000572426051 900181534 /nfs/dbraw/zinc/18/15/34/900181534.db2.gz QKHWWVDTYZEDOM-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001137212759 900207934 /nfs/dbraw/zinc/20/79/34/900207934.db2.gz CHRWOPKQJQZMOF-QPPBQGQZSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001137212759 900207938 /nfs/dbraw/zinc/20/79/38/900207938.db2.gz CHRWOPKQJQZMOF-QPPBQGQZSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001137212759 900207944 /nfs/dbraw/zinc/20/79/44/900207944.db2.gz CHRWOPKQJQZMOF-QPPBQGQZSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3cc(C)ccc3n1)C2 ZINC001137212759 900207956 /nfs/dbraw/zinc/20/79/56/900207956.db2.gz CHRWOPKQJQZMOF-QPPBQGQZSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc2nc(CN3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)ccc2c1 ZINC001137214575 900315098 /nfs/dbraw/zinc/31/50/98/900315098.db2.gz VHPCLQBUIIKMRW-XUZZJYLKSA-N 2 1 379.548 3.866 20 0 GHADMP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000573257680 900432850 /nfs/dbraw/zinc/43/28/50/900432850.db2.gz JVFNCMKXEJYEBH-GTNSWQLSSA-N 2 1 398.370 3.502 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000289950449 914445275 /nfs/dbraw/zinc/44/52/75/914445275.db2.gz PENFWKNOJWLRJP-AZUAARDMSA-N 2 1 388.552 3.812 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000289950449 914445281 /nfs/dbraw/zinc/44/52/81/914445281.db2.gz PENFWKNOJWLRJP-AZUAARDMSA-N 2 1 388.552 3.812 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000289950449 914445289 /nfs/dbraw/zinc/44/52/89/914445289.db2.gz PENFWKNOJWLRJP-AZUAARDMSA-N 2 1 388.552 3.812 20 0 GHADMP CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000885967238 900657477 /nfs/dbraw/zinc/65/74/77/900657477.db2.gz KOQDZOIERLGDPX-UNMCSNQZSA-N 2 1 390.568 3.614 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328867 900700770 /nfs/dbraw/zinc/70/07/70/900700770.db2.gz ZKEUPRLQICTRJC-UTKZUKDTSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328867 900700780 /nfs/dbraw/zinc/70/07/80/900700780.db2.gz ZKEUPRLQICTRJC-UTKZUKDTSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328867 900700794 /nfs/dbraw/zinc/70/07/94/900700794.db2.gz ZKEUPRLQICTRJC-UTKZUKDTSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328867 900700803 /nfs/dbraw/zinc/70/08/03/900700803.db2.gz ZKEUPRLQICTRJC-UTKZUKDTSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cc(=O)oc4cc(O)ccc34)C2)s1 ZINC000844325952 900730805 /nfs/dbraw/zinc/73/08/05/900730805.db2.gz FDBFXTUJBJLFNX-MRXNPFEDSA-N 2 1 398.528 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328172 900733908 /nfs/dbraw/zinc/73/39/08/900733908.db2.gz VGSAXCGQQSOWHH-DOTOQJQBSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328172 900733916 /nfs/dbraw/zinc/73/39/16/900733916.db2.gz VGSAXCGQQSOWHH-DOTOQJQBSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328172 900733924 /nfs/dbraw/zinc/73/39/24/900733924.db2.gz VGSAXCGQQSOWHH-DOTOQJQBSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328172 900733929 /nfs/dbraw/zinc/73/39/29/900733929.db2.gz VGSAXCGQQSOWHH-DOTOQJQBSA-N 2 1 381.586 3.723 20 0 GHADMP C[N@@H+](CCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000574161582 900799448 /nfs/dbraw/zinc/79/94/48/900799448.db2.gz DSCDIPOXNGCRCF-FQEVSTJZSA-N 2 1 392.975 3.651 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171122934 900819486 /nfs/dbraw/zinc/81/94/86/900819486.db2.gz SEEOLUXCGLZQFO-AKIFATBCSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171122934 900819495 /nfs/dbraw/zinc/81/94/95/900819495.db2.gz SEEOLUXCGLZQFO-AKIFATBCSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCc4cc(Cl)ccc4C3)C2)C1 ZINC001171122934 900819500 /nfs/dbraw/zinc/81/95/00/900819500.db2.gz SEEOLUXCGLZQFO-AKIFATBCSA-N 2 1 388.983 3.878 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn2cc[nH+]c12 ZINC000574408897 900879318 /nfs/dbraw/zinc/87/93/18/900879318.db2.gz VQQIQEGMXBZJOW-QHCPKHFHSA-N 2 1 389.503 3.773 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn2cc[nH+]c12 ZINC000574408897 900879327 /nfs/dbraw/zinc/87/93/27/900879327.db2.gz VQQIQEGMXBZJOW-QHCPKHFHSA-N 2 1 389.503 3.773 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000886504167 901092317 /nfs/dbraw/zinc/09/23/17/901092317.db2.gz TYRSVZCBKUPCBF-FXAWDEMLSA-N 2 1 396.535 3.526 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886509010 901100127 /nfs/dbraw/zinc/10/01/27/901100127.db2.gz XLYWETFVTDLEHD-VABKMULXSA-N 2 1 387.531 3.718 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886514210 901107009 /nfs/dbraw/zinc/10/70/09/901107009.db2.gz KDROGKTXIRYWMJ-PMVMPFDFSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(NC(N)=O)cc1 ZINC000886526829 901125137 /nfs/dbraw/zinc/12/51/37/901125137.db2.gz SXKZGKPRLATFBQ-QQOZLPODSA-N 2 1 378.520 3.881 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[NH+]3C)c1 ZINC000073997234 901231470 /nfs/dbraw/zinc/23/14/70/901231470.db2.gz VOTNLJJOIYPZOA-XZOQPEGZSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000073997234 901231487 /nfs/dbraw/zinc/23/14/87/901231487.db2.gz VOTNLJJOIYPZOA-XZOQPEGZSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000073997234 901231496 /nfs/dbraw/zinc/23/14/96/901231496.db2.gz VOTNLJJOIYPZOA-XZOQPEGZSA-N 2 1 377.532 3.627 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccc(-n4cccc4)cc3)CC2)C1 ZINC001144238566 901294674 /nfs/dbraw/zinc/29/46/74/901294674.db2.gz BIIIBCJNQZIVMD-NRFANRHFSA-N 2 1 395.547 3.717 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-n4cccc4)cc3)CC2)C1 ZINC001144238566 901294685 /nfs/dbraw/zinc/29/46/85/901294685.db2.gz BIIIBCJNQZIVMD-NRFANRHFSA-N 2 1 395.547 3.717 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-n4cccc4)cc3)CC2)C1 ZINC001144238566 901294695 /nfs/dbraw/zinc/29/46/95/901294695.db2.gz BIIIBCJNQZIVMD-NRFANRHFSA-N 2 1 395.547 3.717 20 0 GHADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCCCC2CCCC2)CC1 ZINC000826514518 901393875 /nfs/dbraw/zinc/39/38/75/901393875.db2.gz UNXCUVSFEPQWPV-UHFFFAOYSA-N 2 1 382.556 3.781 20 0 GHADMP O[C@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)COc1ccc2ccccc2c1 ZINC000575945811 901506318 /nfs/dbraw/zinc/50/63/18/901506318.db2.gz CYMFPUHMZHVUMB-XMMPIXPASA-N 2 1 390.527 3.618 20 0 GHADMP O[C@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)COc1ccc2ccccc2c1 ZINC000575945811 901506374 /nfs/dbraw/zinc/50/63/74/901506374.db2.gz CYMFPUHMZHVUMB-XMMPIXPASA-N 2 1 390.527 3.618 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)c(C)n2n1 ZINC000093404953 901543430 /nfs/dbraw/zinc/54/34/30/901543430.db2.gz QNCGXMQCXTUMFF-RXVVDRJESA-N 2 1 377.536 3.561 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)c(C)n2n1 ZINC000093404953 901543493 /nfs/dbraw/zinc/54/34/93/901543493.db2.gz QNCGXMQCXTUMFF-RXVVDRJESA-N 2 1 377.536 3.561 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000576768290 902246069 /nfs/dbraw/zinc/24/60/69/902246069.db2.gz PLBZZGVOGJKNBU-ZWKOTPCHSA-N 2 1 395.551 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000576768290 902246083 /nfs/dbraw/zinc/24/60/83/902246083.db2.gz PLBZZGVOGJKNBU-ZWKOTPCHSA-N 2 1 395.551 3.758 20 0 GHADMP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000576841651 902295866 /nfs/dbraw/zinc/29/58/66/902295866.db2.gz XJFSNPHFRDBPNN-UXJHKWJQSA-N 2 1 392.632 3.790 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000126899404 902388252 /nfs/dbraw/zinc/38/82/52/902388252.db2.gz CRWWFUKPORCUOM-IRXDYDNUSA-N 2 1 392.590 3.714 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000126899404 902388257 /nfs/dbraw/zinc/38/82/57/902388257.db2.gz CRWWFUKPORCUOM-IRXDYDNUSA-N 2 1 392.590 3.714 20 0 GHADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000577098235 902500535 /nfs/dbraw/zinc/50/05/35/902500535.db2.gz XKOJTIPMOJQRKQ-CQSZACIVSA-N 2 1 376.570 3.935 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000577121805 902520459 /nfs/dbraw/zinc/52/04/59/902520459.db2.gz ILDKREISQWMMDO-UVKLAMSESA-N 2 1 383.580 3.668 20 0 GHADMP CC[NH+](CC)CCOCC[N@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1 ZINC000290357410 914641883 /nfs/dbraw/zinc/64/18/83/914641883.db2.gz MLMAWWDDXDKFQZ-GOSISDBHSA-N 2 1 391.581 3.557 20 0 GHADMP CC[NH+](CC)CCOCC[N@@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1 ZINC000290357410 914641889 /nfs/dbraw/zinc/64/18/89/914641889.db2.gz MLMAWWDDXDKFQZ-GOSISDBHSA-N 2 1 391.581 3.557 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000577271845 902636998 /nfs/dbraw/zinc/63/69/98/902636998.db2.gz CNIWUWBIWFLABM-AUSIDOKSSA-N 2 1 394.563 3.899 20 0 GHADMP CN(C(=O)Nc1cccc(C2CC2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000577354293 902709297 /nfs/dbraw/zinc/70/92/97/902709297.db2.gz CFSWMZBILPQGRN-LEWJYISDSA-N 2 1 399.583 3.760 20 0 GHADMP CC[NH+](CC1(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)COC1)[C@@H]1CCOC(C)(C)C1 ZINC000577545707 902872492 /nfs/dbraw/zinc/87/24/92/902872492.db2.gz BIWQITBBWPJBQL-BGYRXZFFSA-N 2 1 396.616 3.562 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000779016171 902880901 /nfs/dbraw/zinc/88/09/01/902880901.db2.gz ZNEVRGCEJQIZLY-STZQEDGTSA-N 2 1 399.579 3.854 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)CC1 ZINC000646560029 914666830 /nfs/dbraw/zinc/66/68/30/914666830.db2.gz SBBMJRNTKVSACG-INIZCTEOSA-N 2 1 377.960 3.714 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000779019574 902952762 /nfs/dbraw/zinc/95/27/62/902952762.db2.gz PKTBSUSJJPWMQZ-KVSKMBFKSA-N 2 1 388.556 3.692 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000779019574 902952768 /nfs/dbraw/zinc/95/27/68/902952768.db2.gz PKTBSUSJJPWMQZ-KVSKMBFKSA-N 2 1 388.556 3.692 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577629593 902974577 /nfs/dbraw/zinc/97/45/77/902974577.db2.gz DKXFPZUMRQUVBV-UYAOXDASSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577629593 902974584 /nfs/dbraw/zinc/97/45/84/902974584.db2.gz DKXFPZUMRQUVBV-UYAOXDASSA-N 2 1 381.923 3.509 20 0 GHADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000130917064 903039509 /nfs/dbraw/zinc/03/95/09/903039509.db2.gz SVBVYRBOLCRSFB-QHCPKHFHSA-N 2 1 394.563 3.706 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCN3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729661 903135522 /nfs/dbraw/zinc/13/55/22/903135522.db2.gz VBYDULLEPYHMEQ-XMMPIXPASA-N 2 1 375.560 3.832 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCN3CCc4ccccc4C3)CC23CC3)cc1 ZINC000577729661 903135527 /nfs/dbraw/zinc/13/55/27/903135527.db2.gz VBYDULLEPYHMEQ-XMMPIXPASA-N 2 1 375.560 3.832 20 0 GHADMP C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000577866582 903286326 /nfs/dbraw/zinc/28/63/26/903286326.db2.gz WAJVHTOEOPFMFH-NFBKMPQASA-N 2 1 391.559 3.837 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(CC[NH+]3CCC(C)CC3)c1)C2 ZINC000290488197 914703203 /nfs/dbraw/zinc/70/32/03/914703203.db2.gz XEPHTAWFEJVJMP-HXUWFJFHSA-N 2 1 380.536 3.667 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnc(C4OCCO4)s3)c2)CC1 ZINC000290517107 914715090 /nfs/dbraw/zinc/71/50/90/914715090.db2.gz XJKYZESTQQWINT-UHFFFAOYSA-N 2 1 387.549 3.710 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000578006908 903439567 /nfs/dbraw/zinc/43/95/67/903439567.db2.gz XFJTZFRUICQOHW-PMACEKPBSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000578006908 903439576 /nfs/dbraw/zinc/43/95/76/903439576.db2.gz XFJTZFRUICQOHW-PMACEKPBSA-N 2 1 388.577 3.606 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)CC2)CC1 ZINC000578245795 903648410 /nfs/dbraw/zinc/64/84/10/903648410.db2.gz YQLYWMUHUJFHES-DEOSSOPVSA-N 2 1 395.591 3.861 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Br)cn1 ZINC000578293820 903702683 /nfs/dbraw/zinc/70/26/83/903702683.db2.gz IBOXROWSXSILMD-CQSZACIVSA-N 2 1 378.314 3.635 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578322232 903732270 /nfs/dbraw/zinc/73/22/70/903732270.db2.gz ODXHZNVEYOLYOQ-JOCHJYFZSA-N 2 1 398.572 3.518 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578322232 903732278 /nfs/dbraw/zinc/73/22/78/903732278.db2.gz ODXHZNVEYOLYOQ-JOCHJYFZSA-N 2 1 398.572 3.518 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OCc1ccncc1 ZINC000290627239 914763808 /nfs/dbraw/zinc/76/38/08/914763808.db2.gz XSKNOVVXPJMKQA-NHCUHLMSSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OCc1ccncc1 ZINC000290627239 914763813 /nfs/dbraw/zinc/76/38/13/914763813.db2.gz XSKNOVVXPJMKQA-NHCUHLMSSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1OCc1ccncc1 ZINC000290627239 914763825 /nfs/dbraw/zinc/76/38/25/914763825.db2.gz XSKNOVVXPJMKQA-NHCUHLMSSA-N 2 1 381.520 3.585 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561879 903963598 /nfs/dbraw/zinc/96/35/98/903963598.db2.gz VXBIGUOARINALC-CTNGQTDRSA-N 2 1 390.535 3.615 20 0 GHADMP CC[NH+](CCOCC[N@H+](CC)[C@@H]1CCOC(C)(C)C1)[C@@H]1CCOC(C)(C)C1 ZINC000578700751 904062141 /nfs/dbraw/zinc/06/21/41/904062141.db2.gz FQVOYPJSTUNSDV-WOJBJXKFSA-N 2 1 384.605 3.562 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OC)c1OCc1ccccc1 ZINC000578892568 904208653 /nfs/dbraw/zinc/20/86/53/904208653.db2.gz ZZNUGODIZIOBFY-OYRHEFFESA-N 2 1 396.531 3.714 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001148799277 904213065 /nfs/dbraw/zinc/21/30/65/904213065.db2.gz GQVWZZWFEDTJCF-UKILVPOCSA-N 2 1 397.607 3.619 20 0 GHADMP COCc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1OC ZINC000153489729 904368266 /nfs/dbraw/zinc/36/82/66/904368266.db2.gz UOXJVOURJCPLAT-OALUTQOASA-N 2 1 398.547 3.913 20 0 GHADMP COCc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1OC ZINC000153489729 904368281 /nfs/dbraw/zinc/36/82/81/904368281.db2.gz UOXJVOURJCPLAT-OALUTQOASA-N 2 1 398.547 3.913 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nc1 ZINC000579195382 904416298 /nfs/dbraw/zinc/41/62/98/904416298.db2.gz CRKSLYGRVDABPU-IBGZPJMESA-N 2 1 380.536 3.883 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc1 ZINC000773136912 904464509 /nfs/dbraw/zinc/46/45/09/904464509.db2.gz OCVRACRWKDDADZ-AABGKKOBSA-N 2 1 380.598 3.802 20 0 GHADMP CC[C@H]1[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)CCC[C@]12CCC(=O)N2CCOC ZINC001171637229 904925531 /nfs/dbraw/zinc/92/55/31/904925531.db2.gz KYGPFZPPWAPFTC-XXBNENTESA-N 2 1 393.616 3.520 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)CC1(C)C ZINC001171638447 904927799 /nfs/dbraw/zinc/92/77/99/904927799.db2.gz YDZGEUSESFLPNG-AUSIDOKSSA-N 2 1 387.568 3.735 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1(C)C ZINC001171640625 904930390 /nfs/dbraw/zinc/93/03/90/904930390.db2.gz HPSOELSWWPCXAC-RYQLBKOJSA-N 2 1 379.589 3.873 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1(C)C ZINC001171641717 904931915 /nfs/dbraw/zinc/93/19/15/904931915.db2.gz UPZOPIDTOSSUMH-CQSZACIVSA-N 2 1 386.462 3.600 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001171696949 904935787 /nfs/dbraw/zinc/93/57/87/904935787.db2.gz QMWBAINYBMLZCF-FHWLQOOXSA-N 2 1 393.572 3.675 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171762923 905000058 /nfs/dbraw/zinc/00/00/58/905000058.db2.gz NJLHZZDVVMSKHZ-ZBCONREDSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762923 905000072 /nfs/dbraw/zinc/00/00/72/905000072.db2.gz NJLHZZDVVMSKHZ-ZBCONREDSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762923 905000091 /nfs/dbraw/zinc/00/00/91/905000091.db2.gz NJLHZZDVVMSKHZ-ZBCONREDSA-N 2 1 375.560 3.856 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171739994 905026459 /nfs/dbraw/zinc/02/64/59/905026459.db2.gz ROAUMDTVEAZQIH-FPOVZHCZSA-N 2 1 379.548 3.608 20 0 GHADMP Fc1cccc2c1C[C@@H]([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001171800323 905060595 /nfs/dbraw/zinc/06/05/95/905060595.db2.gz SLRPSYWHUHEGGO-WRALFONMSA-N 2 1 398.566 3.753 20 0 GHADMP Fc1cccc2c1C[C@@H]([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001171800323 905060616 /nfs/dbraw/zinc/06/06/16/905060616.db2.gz SLRPSYWHUHEGGO-WRALFONMSA-N 2 1 398.566 3.753 20 0 GHADMP Fc1cccc2c1C[C@@H]([NH+]1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001171800323 905060632 /nfs/dbraw/zinc/06/06/32/905060632.db2.gz SLRPSYWHUHEGGO-WRALFONMSA-N 2 1 398.566 3.753 20 0 GHADMP c1csc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)c1 ZINC000173958961 905170797 /nfs/dbraw/zinc/17/07/97/905170797.db2.gz LHCYTRNEOLMMLQ-UHFFFAOYSA-N 2 1 377.579 3.948 20 0 GHADMP Brc1ccc(N2CCC(n3c[nH+]cc3C3CC[NH2+]CC3)CC2)cc1 ZINC001171999745 905212393 /nfs/dbraw/zinc/21/23/93/905212393.db2.gz YDDNLEGTBBDYLG-UHFFFAOYSA-N 2 1 389.341 3.954 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)ncn1 ZINC001171979082 905229744 /nfs/dbraw/zinc/22/97/44/905229744.db2.gz NCABRQLWMYITRD-JOCHJYFZSA-N 2 1 393.579 3.787 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981873 905235010 /nfs/dbraw/zinc/23/50/10/905235010.db2.gz OFMBKECWBVNTMB-BURNTYAHSA-N 2 1 399.579 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981873 905235026 /nfs/dbraw/zinc/23/50/26/905235026.db2.gz OFMBKECWBVNTMB-BURNTYAHSA-N 2 1 399.579 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981873 905235042 /nfs/dbraw/zinc/23/50/42/905235042.db2.gz OFMBKECWBVNTMB-BURNTYAHSA-N 2 1 399.579 3.885 20 0 GHADMP CCN1C(=O)CCC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171981510 905236362 /nfs/dbraw/zinc/23/63/62/905236362.db2.gz MJMYTPUIDWOHRB-NRFANRHFSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@@]2(O)CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171981985 905236534 /nfs/dbraw/zinc/23/65/34/905236534.db2.gz FOHNYBMYDHSGOG-YKSBVNFPSA-N 2 1 380.532 3.690 20 0 GHADMP Cc1c[nH+]ccc1N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983763 905239040 /nfs/dbraw/zinc/23/90/40/905239040.db2.gz AHGSUFLUTOMWNL-QFIPXVFZSA-N 2 1 378.564 3.955 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058969 905258039 /nfs/dbraw/zinc/25/80/39/905258039.db2.gz YKFHBINVFHRELM-AABGKKOBSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058969 905258055 /nfs/dbraw/zinc/25/80/55/905258055.db2.gz YKFHBINVFHRELM-AABGKKOBSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172058969 905258069 /nfs/dbraw/zinc/25/80/69/905258069.db2.gz YKFHBINVFHRELM-AABGKKOBSA-N 2 1 391.600 3.972 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@H]4CCN(C5CC5)C(=O)C4)CC3)C2)cc1 ZINC001172016509 905263048 /nfs/dbraw/zinc/26/30/48/905263048.db2.gz VNEFUHYYARSBIB-QHCPKHFHSA-N 2 1 395.591 3.826 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090815 905310351 /nfs/dbraw/zinc/31/03/51/905310351.db2.gz XIZASHQJGVYAND-BJESRGMDSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090815 905310364 /nfs/dbraw/zinc/31/03/64/905310364.db2.gz XIZASHQJGVYAND-BJESRGMDSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090815 905310379 /nfs/dbraw/zinc/31/03/79/905310379.db2.gz XIZASHQJGVYAND-BJESRGMDSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090815 905310396 /nfs/dbraw/zinc/31/03/96/905310396.db2.gz XIZASHQJGVYAND-BJESRGMDSA-N 2 1 392.547 3.906 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062923 905324717 /nfs/dbraw/zinc/32/47/17/905324717.db2.gz SOYPQXVHRHRNTD-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062923 905324730 /nfs/dbraw/zinc/32/47/30/905324730.db2.gz SOYPQXVHRHRNTD-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CCN(Cc4ccncc4)C2)C3)cc1 ZINC001172067719 905335842 /nfs/dbraw/zinc/33/58/42/905335842.db2.gz RWOCAOZZVVBRKI-JBXUNAHCSA-N 2 1 390.575 3.831 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC001172069121 905338908 /nfs/dbraw/zinc/33/89/08/905338908.db2.gz ZWNCZRHUEXJIRT-BXXSPATCSA-N 2 1 376.548 3.836 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C2 ZINC001172108818 905356058 /nfs/dbraw/zinc/35/60/58/905356058.db2.gz ZTIKNQULDNOSCU-CCQCEHTISA-N 2 1 379.589 3.922 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110464 905357458 /nfs/dbraw/zinc/35/74/58/905357458.db2.gz NJVRAMSHCCUCRT-CIAFKFPVSA-N 2 1 399.579 3.953 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115823 905369267 /nfs/dbraw/zinc/36/92/67/905369267.db2.gz BSDCQPODSMTWSF-STAYPELNSA-N 2 1 395.591 3.559 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115823 905369298 /nfs/dbraw/zinc/36/92/98/905369298.db2.gz BSDCQPODSMTWSF-STAYPELNSA-N 2 1 395.591 3.559 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115823 905369309 /nfs/dbraw/zinc/36/93/09/905369309.db2.gz BSDCQPODSMTWSF-STAYPELNSA-N 2 1 395.591 3.559 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3ncnc(-c4ccc(F)cc4)c3CC1)C2 ZINC001172117593 905371596 /nfs/dbraw/zinc/37/15/96/905371596.db2.gz KBRLIXOVJSJUNG-ACDBMABISA-N 2 1 380.511 3.699 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3ncnc(-c4ccc(F)cc4)c3CC1)C2 ZINC001172117593 905371624 /nfs/dbraw/zinc/37/16/24/905371624.db2.gz KBRLIXOVJSJUNG-ACDBMABISA-N 2 1 380.511 3.699 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3ncnc(-c4ccc(F)cc4)c3CC1)C2 ZINC001172117593 905371640 /nfs/dbraw/zinc/37/16/40/905371640.db2.gz KBRLIXOVJSJUNG-ACDBMABISA-N 2 1 380.511 3.699 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H]3CCCC[C@H]3C[C@H]1C(=O)NC(C)(C)C)C2 ZINC001172121007 905380150 /nfs/dbraw/zinc/38/01/50/905380150.db2.gz BJBSAGRENZSMQL-ONCDUWEWSA-N 2 1 375.601 3.797 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CCCC[C@H]3C[C@H]1C(=O)NC(C)(C)C)C2 ZINC001172121007 905380160 /nfs/dbraw/zinc/38/01/60/905380160.db2.gz BJBSAGRENZSMQL-ONCDUWEWSA-N 2 1 375.601 3.797 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CCCC[C@H]3C[C@H]1C(=O)NC(C)(C)C)C2 ZINC001172121007 905380175 /nfs/dbraw/zinc/38/01/75/905380175.db2.gz BJBSAGRENZSMQL-ONCDUWEWSA-N 2 1 375.601 3.797 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CSc4ccccc4C3)cc2)CC1 ZINC001172187543 905387718 /nfs/dbraw/zinc/38/77/18/905387718.db2.gz MSZFMLFQBYEMLP-QFIPXVFZSA-N 2 1 381.589 3.631 20 0 GHADMP COCCC[NH+]1CCC(N2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC001172250674 905447656 /nfs/dbraw/zinc/44/76/56/905447656.db2.gz DUAYVDCRMFDXKH-UHFFFAOYSA-N 2 1 391.625 3.537 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172329900 905494854 /nfs/dbraw/zinc/49/48/54/905494854.db2.gz LJOQMRRHASDITC-YXIAPDDASA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172329900 905494864 /nfs/dbraw/zinc/49/48/64/905494864.db2.gz LJOQMRRHASDITC-YXIAPDDASA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001172329900 905494871 /nfs/dbraw/zinc/49/48/71/905494871.db2.gz LJOQMRRHASDITC-YXIAPDDASA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001172329900 905494878 /nfs/dbraw/zinc/49/48/78/905494878.db2.gz LJOQMRRHASDITC-YXIAPDDASA-N 2 1 376.589 3.650 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC001172557976 905620052 /nfs/dbraw/zinc/62/00/52/905620052.db2.gz HOTQQXAHYOBMNX-DJCPXJLLSA-N 2 1 393.579 3.788 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC001172557976 905620054 /nfs/dbraw/zinc/62/00/54/905620054.db2.gz HOTQQXAHYOBMNX-DJCPXJLLSA-N 2 1 393.579 3.788 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC001172557976 905620059 /nfs/dbraw/zinc/62/00/59/905620059.db2.gz HOTQQXAHYOBMNX-DJCPXJLLSA-N 2 1 393.579 3.788 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640158 905702233 /nfs/dbraw/zinc/70/22/33/905702233.db2.gz GUXNAFBBKBXQHZ-IYWMVGAKSA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640158 905702237 /nfs/dbraw/zinc/70/22/37/905702237.db2.gz GUXNAFBBKBXQHZ-IYWMVGAKSA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640158 905702242 /nfs/dbraw/zinc/70/22/42/905702242.db2.gz GUXNAFBBKBXQHZ-IYWMVGAKSA-N 2 1 379.589 3.828 20 0 GHADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001172759294 905801968 /nfs/dbraw/zinc/80/19/68/905801968.db2.gz QCKYNICHVJCXJQ-LJQANCHMSA-N 2 1 387.568 3.878 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001172807407 905838565 /nfs/dbraw/zinc/83/85/65/905838565.db2.gz MYEOFVUNLGZZCL-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001172807407 905838577 /nfs/dbraw/zinc/83/85/77/905838577.db2.gz MYEOFVUNLGZZCL-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CCc4ccc(C)cc4C3)CC2)CC1 ZINC001172828334 905857947 /nfs/dbraw/zinc/85/79/47/905857947.db2.gz STZVPKIHPBLGHN-HSZRJFAPSA-N 2 1 384.564 3.592 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172954702 906058498 /nfs/dbraw/zinc/05/84/98/906058498.db2.gz NDPJZUWXQLCILN-IHPCNDPISA-N 2 1 390.572 3.799 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172960406 906068468 /nfs/dbraw/zinc/06/84/68/906068468.db2.gz XSWYMRKHPJKXBT-ZWKOTPCHSA-N 2 1 397.604 3.644 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)CC1 ZINC001173111981 906201882 /nfs/dbraw/zinc/20/18/82/906201882.db2.gz TUCPTKFKQKTSFQ-XPJNUEMQSA-N 2 1 387.543 3.908 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001173114135 906202661 /nfs/dbraw/zinc/20/26/61/906202661.db2.gz XPLUBBASVYHJOK-LMDPOFIKSA-N 2 1 375.532 3.673 20 0 GHADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001173246928 906335463 /nfs/dbraw/zinc/33/54/63/906335463.db2.gz QHHPTICNQHCODD-UQAQOTMJSA-N 2 1 395.595 3.645 20 0 GHADMP CCc1ccc(C[C@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001173246928 906335477 /nfs/dbraw/zinc/33/54/77/906335477.db2.gz QHHPTICNQHCODD-UQAQOTMJSA-N 2 1 395.595 3.645 20 0 GHADMP CCc1ccc(C[C@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)cc1 ZINC001173246928 906335493 /nfs/dbraw/zinc/33/54/93/906335493.db2.gz QHHPTICNQHCODD-UQAQOTMJSA-N 2 1 395.595 3.645 20 0 GHADMP CCN1CC[C@@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173357355 906393106 /nfs/dbraw/zinc/39/31/06/906393106.db2.gz JKSNYIFJBLVHQQ-GUDVDZBRSA-N 2 1 380.374 3.615 20 0 GHADMP C[NH2+]Cc1ccc2c(ccn2C2CC[NH+](CC(=O)OCc3ccccc3)CC2)c1 ZINC001173470134 906505286 /nfs/dbraw/zinc/50/52/86/906505286.db2.gz MVMXNGONFNVKDG-UHFFFAOYSA-N 2 1 391.515 3.741 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1cccc(Cl)c1 ZINC000365913081 921246005 /nfs/dbraw/zinc/24/60/05/921246005.db2.gz VTWIVYAYWYJGEL-UHFFFAOYSA-N 2 1 391.987 3.537 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2=O)c(C)c1 ZINC000191091828 906602005 /nfs/dbraw/zinc/60/20/05/906602005.db2.gz HEQOQDWATLJGRS-SJBKTWHCSA-N 2 1 383.580 3.960 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)C2=O)c(C)c1 ZINC000191091828 906602011 /nfs/dbraw/zinc/60/20/11/906602011.db2.gz HEQOQDWATLJGRS-SJBKTWHCSA-N 2 1 383.580 3.960 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173671243 906607134 /nfs/dbraw/zinc/60/71/34/906607134.db2.gz ZUUQMVHBOJBOMU-UHFFFAOYSA-N 2 1 383.502 4.000 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nc4ccccc4n3C)CC2)oc1C ZINC000180109306 906691613 /nfs/dbraw/zinc/69/16/13/906691613.db2.gz UTFLRBFUCLGHEX-INIZCTEOSA-N 2 1 381.524 3.741 20 0 GHADMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C(F)(F)F)n1 ZINC000180165635 906706109 /nfs/dbraw/zinc/70/61/09/906706109.db2.gz BNJNOOQUCOTCKN-AYHJJNSGSA-N 2 1 378.442 3.724 20 0 GHADMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C(F)(F)F)n1 ZINC000180165635 906706125 /nfs/dbraw/zinc/70/61/25/906706125.db2.gz BNJNOOQUCOTCKN-AYHJJNSGSA-N 2 1 378.442 3.724 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000629601016 906892873 /nfs/dbraw/zinc/89/28/73/906892873.db2.gz DJOQLOISGDWUIM-JOCHJYFZSA-N 2 1 377.488 3.618 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000629601016 906892885 /nfs/dbraw/zinc/89/28/85/906892885.db2.gz DJOQLOISGDWUIM-JOCHJYFZSA-N 2 1 377.488 3.618 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629654705 906933793 /nfs/dbraw/zinc/93/37/93/906933793.db2.gz PUYGTOSKEOBBHQ-UHFFFAOYSA-N 2 1 394.494 3.584 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)CC2)cs1 ZINC000366002048 921280860 /nfs/dbraw/zinc/28/08/60/921280860.db2.gz UDOQZNZHBURQSL-UHFFFAOYSA-N 2 1 385.537 3.690 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182250021 907169538 /nfs/dbraw/zinc/16/95/38/907169538.db2.gz UVMOBEUJPGNJSF-NFBKMPQASA-N 2 1 396.531 3.655 20 0 GHADMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c(CNC(=O)OC(C)(C)C)c3)cc2)CC1 ZINC001174813424 907244353 /nfs/dbraw/zinc/24/43/53/907244353.db2.gz JKYDAXYQRMEOFT-UHFFFAOYSA-N 2 1 397.523 3.602 20 0 GHADMP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182965101 907302498 /nfs/dbraw/zinc/30/24/98/907302498.db2.gz MIIQXSDRUFOUMU-MRXNPFEDSA-N 2 1 376.932 3.625 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128183 907332138 /nfs/dbraw/zinc/33/21/38/907332138.db2.gz CLSUCGLIDVPAIT-PUHATCMVSA-N 2 1 383.580 3.524 20 0 GHADMP Cc1c(C(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)ccc2c[nH+]cn21 ZINC001175255348 907468954 /nfs/dbraw/zinc/46/89/54/907468954.db2.gz JVRGZMHAETTXIE-OAQYLSRUSA-N 2 1 376.504 3.769 20 0 GHADMP C[NH+]1CCN(Cc2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001175506422 907594012 /nfs/dbraw/zinc/59/40/12/907594012.db2.gz YWAPKEQVYILYGI-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2ccc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001175506422 907594027 /nfs/dbraw/zinc/59/40/27/907594027.db2.gz YWAPKEQVYILYGI-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001175506422 907594043 /nfs/dbraw/zinc/59/40/43/907594043.db2.gz YWAPKEQVYILYGI-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+]([C@@H](C)c2cnccn2)CC1)[C@@H](C)c1cnccn1 ZINC000184704226 907643415 /nfs/dbraw/zinc/64/34/15/907643415.db2.gz MDVMBJXLAVHUIW-OALUTQOASA-N 2 1 382.556 3.903 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+]([C@H](C)c2cnccn2)CC1)[C@@H](C)c1cnccn1 ZINC000184704249 907643574 /nfs/dbraw/zinc/64/35/74/907643574.db2.gz MDVMBJXLAVHUIW-RBUKOAKNSA-N 2 1 382.556 3.903 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001175690560 907696609 /nfs/dbraw/zinc/69/66/09/907696609.db2.gz ZNHDUJQYAHWCTI-LJQANCHMSA-N 2 1 381.923 3.782 20 0 GHADMP COc1cccc(CC[NH+]2CCCC2)c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175859276 907799609 /nfs/dbraw/zinc/79/96/09/907799609.db2.gz DPLHOGLQFLYXID-UHFFFAOYSA-N 2 1 395.547 3.909 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186235165 907893249 /nfs/dbraw/zinc/89/32/49/907893249.db2.gz DMCPUEUWXQXPKX-QFIPXVFZSA-N 2 1 396.535 3.517 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1)c1ccccc1 ZINC000186235165 907893257 /nfs/dbraw/zinc/89/32/57/907893257.db2.gz DMCPUEUWXQXPKX-QFIPXVFZSA-N 2 1 396.535 3.517 20 0 GHADMP CC(=O)NCCn1c2ccccc2[nH+]c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176196087 907971419 /nfs/dbraw/zinc/97/14/19/907971419.db2.gz WBGQHJQJMXVEIS-UHFFFAOYSA-N 2 1 377.492 3.512 20 0 GHADMP C[NH+](C)CCn1cc(Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)cn1 ZINC001176450622 908115422 /nfs/dbraw/zinc/11/54/22/908115422.db2.gz MEQMXKQAIFGNKN-OAQYLSRUSA-N 2 1 375.520 3.766 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187766360 908136177 /nfs/dbraw/zinc/13/61/77/908136177.db2.gz JPILKXMAMCABLK-HXUWFJFHSA-N 2 1 377.598 3.630 20 0 GHADMP COCCOc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001177245498 908483219 /nfs/dbraw/zinc/48/32/19/908483219.db2.gz SXCPXBAVMXIWCV-BGYRXZFFSA-N 2 1 398.547 3.611 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC000633787005 908487358 /nfs/dbraw/zinc/48/73/58/908487358.db2.gz IRDOMRQSEPKKPF-UHFFFAOYSA-N 2 1 379.976 3.736 20 0 GHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001177483107 908593831 /nfs/dbraw/zinc/59/38/31/908593831.db2.gz CVSYDNRLQBPTBE-CABCVRRESA-N 2 1 377.520 3.635 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001177483107 908593835 /nfs/dbraw/zinc/59/38/35/908593835.db2.gz CVSYDNRLQBPTBE-CABCVRRESA-N 2 1 377.520 3.635 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1csc(Cl)c1 ZINC000191275970 908604485 /nfs/dbraw/zinc/60/44/85/908604485.db2.gz MNAYLJBKIQSEBK-PBHICJAKSA-N 2 1 391.968 3.950 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCS2 ZINC000191489024 908631458 /nfs/dbraw/zinc/63/14/58/908631458.db2.gz IYMSBVQVTBCJHK-OAQYLSRUSA-N 2 1 384.545 3.854 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193206925 908857844 /nfs/dbraw/zinc/85/78/44/908857844.db2.gz RTDCLRIMFHQGFY-GOSISDBHSA-N 2 1 383.517 3.650 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(O)c1 ZINC000194881215 908971608 /nfs/dbraw/zinc/97/16/08/908971608.db2.gz HIMXSKALXQJGAD-SFHVURJKSA-N 2 1 384.520 3.733 20 0 GHADMP C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000636013869 909410522 /nfs/dbraw/zinc/41/05/22/909410522.db2.gz DONRAOAREBBFNC-FQEVSTJZSA-N 2 1 391.559 3.651 20 0 GHADMP C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000636013869 909410528 /nfs/dbraw/zinc/41/05/28/909410528.db2.gz DONRAOAREBBFNC-FQEVSTJZSA-N 2 1 391.559 3.651 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC000267425361 909493586 /nfs/dbraw/zinc/49/35/86/909493586.db2.gz FBKWBAHIAOXSSZ-IBGZPJMESA-N 2 1 390.572 3.603 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001179338818 909496781 /nfs/dbraw/zinc/49/67/81/909496781.db2.gz OSHWMTCNYIUQAO-UWJYYQICSA-N 2 1 386.511 3.975 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001179338818 909496795 /nfs/dbraw/zinc/49/67/95/909496795.db2.gz OSHWMTCNYIUQAO-UWJYYQICSA-N 2 1 386.511 3.975 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1C[NH+](C)C ZINC000268094694 909768095 /nfs/dbraw/zinc/76/80/95/909768095.db2.gz JPKASUIZQLXKLZ-LJQANCHMSA-N 2 1 385.577 3.794 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001180081419 909934327 /nfs/dbraw/zinc/93/43/27/909934327.db2.gz KCTGCRRAAXCUDF-MRXNPFEDSA-N 2 1 393.597 3.815 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001180081419 909934334 /nfs/dbraw/zinc/93/43/34/909934334.db2.gz KCTGCRRAAXCUDF-MRXNPFEDSA-N 2 1 393.597 3.815 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001180081419 909934341 /nfs/dbraw/zinc/93/43/41/909934341.db2.gz KCTGCRRAAXCUDF-MRXNPFEDSA-N 2 1 393.597 3.815 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001180081419 909934350 /nfs/dbraw/zinc/93/43/50/909934350.db2.gz KCTGCRRAAXCUDF-MRXNPFEDSA-N 2 1 393.597 3.815 20 0 GHADMP CCC[N@H+]([C@H](C)c1cnc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638082428 910048082 /nfs/dbraw/zinc/04/80/82/910048082.db2.gz AJLWJJALJCSEIT-QGZVFWFLSA-N 2 1 382.556 3.942 20 0 GHADMP CCC[N@@H+]([C@H](C)c1cnc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638082428 910048101 /nfs/dbraw/zinc/04/81/01/910048101.db2.gz AJLWJJALJCSEIT-QGZVFWFLSA-N 2 1 382.556 3.942 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC000268884863 910057939 /nfs/dbraw/zinc/05/79/39/910057939.db2.gz SJLHPWFEYNVEDV-MRXNPFEDSA-N 2 1 388.508 3.504 20 0 GHADMP COC(=O)CC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001180302169 910058254 /nfs/dbraw/zinc/05/82/54/910058254.db2.gz TZUWWYOVFRYBMU-KICKQETISA-N 2 1 384.564 3.999 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)nc(C)n1 ZINC000269053157 910120758 /nfs/dbraw/zinc/12/07/58/910120758.db2.gz IOZGHYVHKUZKQD-WZONZLPQSA-N 2 1 393.579 3.562 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)nc(C)n1 ZINC000269053157 910120769 /nfs/dbraw/zinc/12/07/69/910120769.db2.gz IOZGHYVHKUZKQD-WZONZLPQSA-N 2 1 393.579 3.562 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)cc2)n1 ZINC000638338473 910125908 /nfs/dbraw/zinc/12/59/08/910125908.db2.gz BMHHLEIRPGUYKX-ISKFKSNPSA-N 2 1 387.531 3.784 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)cc2)n1 ZINC000638338473 910125910 /nfs/dbraw/zinc/12/59/10/910125910.db2.gz BMHHLEIRPGUYKX-ISKFKSNPSA-N 2 1 387.531 3.784 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)c1ccc(Cl)cc1 ZINC001274471078 910261930 /nfs/dbraw/zinc/26/19/30/910261930.db2.gz CUBPWGDRJMRXFX-WSTZPKSXSA-N 2 1 377.960 3.523 20 0 GHADMP C[C@@H](NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908270 910273847 /nfs/dbraw/zinc/27/38/47/910273847.db2.gz ZTTVDPFNGYPSJY-JPYJTQIMSA-N 2 1 381.568 3.813 20 0 GHADMP O=c1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cccn1C(F)F ZINC000639039547 910296512 /nfs/dbraw/zinc/29/65/12/910296512.db2.gz VOVAMUXIMJRRHO-HSALFYBXSA-N 2 1 387.474 3.634 20 0 GHADMP CCc1sc(-c2nnc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)o2)cc1C ZINC000639681610 910609809 /nfs/dbraw/zinc/60/98/09/910609809.db2.gz VFXLIIUZBFZKKC-UHFFFAOYSA-N 2 1 383.521 3.776 20 0 GHADMP CCc1sc(-c2nnc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)o2)cc1C ZINC000639681610 910609823 /nfs/dbraw/zinc/60/98/23/910609823.db2.gz VFXLIIUZBFZKKC-UHFFFAOYSA-N 2 1 383.521 3.776 20 0 GHADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OCc1ccncc1 ZINC000271038556 910764269 /nfs/dbraw/zinc/76/42/69/910764269.db2.gz LKWNGDXHMHWLQL-UHFFFAOYSA-N 2 1 383.536 3.974 20 0 GHADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OCc1ccncc1 ZINC000271038556 910764276 /nfs/dbraw/zinc/76/42/76/910764276.db2.gz LKWNGDXHMHWLQL-UHFFFAOYSA-N 2 1 383.536 3.974 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000271532778 910946489 /nfs/dbraw/zinc/94/64/89/910946489.db2.gz PTVXYWGDVHXXHG-CBZJRKILSA-N 2 1 388.552 3.921 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H]3C[NH+]4CCC3CC4)cccc2[C@H](c2ccccc2)C1 ZINC001182012568 911152532 /nfs/dbraw/zinc/15/25/32/911152532.db2.gz ZBMIWGTUOCUMJA-SFTDATJTSA-N 2 1 375.516 3.544 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC001182317377 911446096 /nfs/dbraw/zinc/44/60/96/911446096.db2.gz PHEYXWFWKZQPQB-ZEQRLZLVSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC001182317377 911446107 /nfs/dbraw/zinc/44/61/07/911446107.db2.gz PHEYXWFWKZQPQB-ZEQRLZLVSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001182317377 911446117 /nfs/dbraw/zinc/44/61/17/911446117.db2.gz PHEYXWFWKZQPQB-ZEQRLZLVSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC001182317377 911446131 /nfs/dbraw/zinc/44/61/31/911446131.db2.gz PHEYXWFWKZQPQB-ZEQRLZLVSA-N 2 1 391.559 3.722 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000641728818 911497236 /nfs/dbraw/zinc/49/72/36/911497236.db2.gz ZQKBFDZJLNRNQF-QFBILLFUSA-N 2 1 378.442 3.855 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000641728818 911497240 /nfs/dbraw/zinc/49/72/40/911497240.db2.gz ZQKBFDZJLNRNQF-QFBILLFUSA-N 2 1 378.442 3.855 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N(CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001182345601 911517349 /nfs/dbraw/zinc/51/73/49/911517349.db2.gz LVZZSFJAGANZRE-VABKMULXSA-N 2 1 385.596 3.962 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000801952874 921673140 /nfs/dbraw/zinc/67/31/40/921673140.db2.gz GVYRVXAEKIAQCH-IBGZPJMESA-N 2 1 379.589 3.831 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)cc2)C[C@H](C)O1 ZINC000284464071 911879379 /nfs/dbraw/zinc/87/93/79/911879379.db2.gz VFZWOQFMFXKXJH-HDICACEKSA-N 2 1 382.552 3.673 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186931705 914879704 /nfs/dbraw/zinc/87/97/04/914879704.db2.gz YOKQOBGBXICREX-UHFFFAOYSA-N 2 1 379.548 3.877 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)NCc1cccs1 ZINC000647334076 915157972 /nfs/dbraw/zinc/15/79/72/915157972.db2.gz FSOBZOAZEAZEMV-HQRMLTQVSA-N 2 1 377.598 3.776 20 0 GHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647343937 915165118 /nfs/dbraw/zinc/16/51/18/915165118.db2.gz GANCBVFQCPYOBX-TZRRMPRUSA-N 2 1 389.547 3.653 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@H]21 ZINC000647907880 915434280 /nfs/dbraw/zinc/43/42/80/915434280.db2.gz IUKPHDNTCRSOFV-DFQSSKMNSA-N 2 1 379.504 3.867 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647975977 915457460 /nfs/dbraw/zinc/45/74/60/915457460.db2.gz IJMBIYSOKQJNEZ-RNIPGJKVSA-N 2 1 377.960 3.617 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976323 915459917 /nfs/dbraw/zinc/45/99/17/915459917.db2.gz NBKQEWIYVTWUOQ-NCXUSEDFSA-N 2 1 375.582 3.512 20 0 GHADMP C[N@H+](Cc1cnc(CCc2ccccc2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585974 915779835 /nfs/dbraw/zinc/77/98/35/915779835.db2.gz FDNUADGTAPUCJX-OAQYLSRUSA-N 2 1 398.620 3.529 20 0 GHADMP C[N@@H+](Cc1cnc(CCc2ccccc2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585974 915779840 /nfs/dbraw/zinc/77/98/40/915779840.db2.gz FDNUADGTAPUCJX-OAQYLSRUSA-N 2 1 398.620 3.529 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000649101892 916020936 /nfs/dbraw/zinc/02/09/36/916020936.db2.gz LGOGLQPVUVYBIL-XPWALMASSA-N 2 1 379.548 3.531 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649345308 916107696 /nfs/dbraw/zinc/10/76/96/916107696.db2.gz VBGZWMCTUXOURD-GHTZIAJQSA-N 2 1 385.939 3.710 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000649378501 916128770 /nfs/dbraw/zinc/12/87/70/916128770.db2.gz AYRURYMKULRLCT-OAQYLSRUSA-N 2 1 397.607 3.811 20 0 GHADMP Cc1nocc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000294251703 916681370 /nfs/dbraw/zinc/68/13/70/916681370.db2.gz UOMLKKIAYADQGG-UHFFFAOYSA-N 2 1 376.504 3.595 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000775309834 916896105 /nfs/dbraw/zinc/89/61/05/916896105.db2.gz GIYWADXYMABCEJ-GCJKJVERSA-N 2 1 377.532 3.596 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000294903246 917041965 /nfs/dbraw/zinc/04/19/65/917041965.db2.gz HJWRKNSIUXEPGF-MRXNPFEDSA-N 2 1 397.485 3.518 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000294903246 917041974 /nfs/dbraw/zinc/04/19/74/917041974.db2.gz HJWRKNSIUXEPGF-MRXNPFEDSA-N 2 1 397.485 3.518 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)C1 ZINC000650707843 917245303 /nfs/dbraw/zinc/24/53/03/917245303.db2.gz OCTGTBPDGLWWHM-CPUCHLNUSA-N 2 1 387.749 3.821 20 0 GHADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3Sc3ccccc3)C2)CC1 ZINC000363054149 917689790 /nfs/dbraw/zinc/68/97/90/917689790.db2.gz QUPKHFJAIKJZQD-SFHVURJKSA-N 2 1 395.572 3.736 20 0 GHADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3Sc3ccccc3)C2)CC1 ZINC000363054149 917689802 /nfs/dbraw/zinc/68/98/02/917689802.db2.gz QUPKHFJAIKJZQD-SFHVURJKSA-N 2 1 395.572 3.736 20 0 GHADMP CN1CC[NH+](CCOc2ccc(-c3ccccc3C[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000653509391 918277048 /nfs/dbraw/zinc/27/70/48/918277048.db2.gz DSQQDWHPKQFBLO-QHCPKHFHSA-N 2 1 393.575 3.664 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775493449 918344709 /nfs/dbraw/zinc/34/47/09/918344709.db2.gz SOIKXHOTDNTENW-RXVVDRJESA-N 2 1 379.504 3.643 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800372732 919994339 /nfs/dbraw/zinc/99/43/39/919994339.db2.gz ABZLDHNKMPNKOV-WGMWDUQUSA-N 2 1 387.568 3.600 20 0 GHADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000800971887 920657472 /nfs/dbraw/zinc/65/74/72/920657472.db2.gz XNEBINWEAMGQBQ-IEBWSBKVSA-N 2 1 379.342 3.669 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000367538350 922179909 /nfs/dbraw/zinc/17/99/09/922179909.db2.gz OBZVLPLKCRDGCH-ANAFOTAVSA-N 2 1 382.573 3.565 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000802645738 922292296 /nfs/dbraw/zinc/29/22/96/922292296.db2.gz ZRPDJQLGILFFJQ-UHFFFAOYSA-N 2 1 386.931 3.667 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000368019440 922428057 /nfs/dbraw/zinc/42/80/57/922428057.db2.gz RXJMIINHQIAESV-YSIASYRMSA-N 2 1 399.560 3.579 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368019440 922428066 /nfs/dbraw/zinc/42/80/66/922428066.db2.gz RXJMIINHQIAESV-YSIASYRMSA-N 2 1 399.560 3.579 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnn(CC4CCC4)c3)CC2)oc1C ZINC000903093979 922767581 /nfs/dbraw/zinc/76/75/81/922767581.db2.gz VULNSKJHGIQHFJ-KRWDZBQOSA-N 2 1 385.556 3.851 20 0 GHADMP Fc1ccccc1[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000903097170 922769189 /nfs/dbraw/zinc/76/91/89/922769189.db2.gz PTESDQIPRILFPT-UGKGYDQZSA-N 2 1 376.516 3.526 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000903098309 922770538 /nfs/dbraw/zinc/77/05/38/922770538.db2.gz ZSUHSWZQCOVPLO-XIHRNRATSA-N 2 1 387.543 3.595 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000903098309 922770554 /nfs/dbraw/zinc/77/05/54/922770554.db2.gz ZSUHSWZQCOVPLO-XIHRNRATSA-N 2 1 387.543 3.595 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CC12CCCCC2 ZINC000370559778 924170528 /nfs/dbraw/zinc/17/05/28/924170528.db2.gz WFYMPJSPZOALJV-NRFANRHFSA-N 2 1 375.601 3.612 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000678343790 924736021 /nfs/dbraw/zinc/73/60/21/924736021.db2.gz NKKIBHGFBHIOEY-FQEVSTJZSA-N 2 1 395.551 3.536 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000678343790 924736029 /nfs/dbraw/zinc/73/60/29/924736029.db2.gz NKKIBHGFBHIOEY-FQEVSTJZSA-N 2 1 395.551 3.536 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000678343790 924736038 /nfs/dbraw/zinc/73/60/38/924736038.db2.gz NKKIBHGFBHIOEY-FQEVSTJZSA-N 2 1 395.551 3.536 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1)C[C@@H]1CCCCO1 ZINC000678798361 924927670 /nfs/dbraw/zinc/92/76/70/924927670.db2.gz XHJRMJCVWIXUPY-FCHUYYIVSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1)C[C@@H]1CCCCO1 ZINC000678798361 924927671 /nfs/dbraw/zinc/92/76/71/924927671.db2.gz XHJRMJCVWIXUPY-FCHUYYIVSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1)C[C@@H]1CCCCO1 ZINC000678798361 924927685 /nfs/dbraw/zinc/92/76/85/924927685.db2.gz XHJRMJCVWIXUPY-FCHUYYIVSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1)C[C@@H]1CCCCO1 ZINC000678798361 924927689 /nfs/dbraw/zinc/92/76/89/924927689.db2.gz XHJRMJCVWIXUPY-FCHUYYIVSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@]3(CO)CCC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000679042407 925007514 /nfs/dbraw/zinc/00/75/14/925007514.db2.gz BFXGGLQFGTZLGY-SDUSCBPUSA-N 2 1 399.623 3.646 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679333558 925097971 /nfs/dbraw/zinc/09/79/71/925097971.db2.gz PNMAZYVBDYZKNS-ROUUACIJSA-N 2 1 378.314 3.854 20 0 GHADMP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000679333913 925098625 /nfs/dbraw/zinc/09/86/25/925098625.db2.gz WEWXFFVNQXCEQV-AYOQOUSVSA-N 2 1 381.358 3.991 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)Nc1ccccc1 ZINC000680040458 925338475 /nfs/dbraw/zinc/33/84/75/925338475.db2.gz ZOOBUJFHEVHMSE-CVNLYIMZSA-N 2 1 377.532 3.904 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)Nc1ccccc1 ZINC000680040458 925338488 /nfs/dbraw/zinc/33/84/88/925338488.db2.gz ZOOBUJFHEVHMSE-CVNLYIMZSA-N 2 1 377.532 3.904 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000410324781 925533853 /nfs/dbraw/zinc/53/38/53/925533853.db2.gz UKVNKZCHQSUSPL-UXHICEINSA-N 2 1 386.584 3.522 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000410337440 925552896 /nfs/dbraw/zinc/55/28/96/925552896.db2.gz NQAMKVNYELIXEO-HXUWFJFHSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000410345445 925555126 /nfs/dbraw/zinc/55/51/26/925555126.db2.gz BEOQJQJVXXEEDU-NZQKXSOJSA-N 2 1 398.595 3.831 20 0 GHADMP CC1CC[NH+](CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000410369700 925588536 /nfs/dbraw/zinc/58/85/36/925588536.db2.gz RUUIIOILXRBMLS-HXUWFJFHSA-N 2 1 386.584 3.592 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373473411 926167962 /nfs/dbraw/zinc/16/79/62/926167962.db2.gz HYGHJRKRTLIVOE-DDRJZQQSSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[N@@H+]1C ZINC000411321768 926302444 /nfs/dbraw/zinc/30/24/44/926302444.db2.gz CNCUHNNCXMWLHP-ZWCUEREDSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[N@H+]1C ZINC000411321768 926302455 /nfs/dbraw/zinc/30/24/55/926302455.db2.gz CNCUHNNCXMWLHP-ZWCUEREDSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[NH+]1C ZINC000411321768 926302466 /nfs/dbraw/zinc/30/24/66/926302466.db2.gz CNCUHNNCXMWLHP-ZWCUEREDSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[NH+]1C ZINC000411321768 926302478 /nfs/dbraw/zinc/30/24/78/926302478.db2.gz CNCUHNNCXMWLHP-ZWCUEREDSA-N 2 1 385.577 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000543813973 926408600 /nfs/dbraw/zinc/40/86/00/926408600.db2.gz QFSMIWZKWWRSAZ-JKSUJKDBSA-N 2 1 380.467 3.848 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000411548551 926512352 /nfs/dbraw/zinc/51/23/52/926512352.db2.gz FDJCEZZJBQJFJB-AVRDEDQJSA-N 2 1 381.520 3.524 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)C[C@@H](C)O1 ZINC000374268160 926956465 /nfs/dbraw/zinc/95/64/65/926956465.db2.gz JKQMVXFPRYZSSC-HLIPFELVSA-N 2 1 393.597 3.706 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1F ZINC000749247057 927014317 /nfs/dbraw/zinc/01/43/17/927014317.db2.gz CTOJFWKUGUJDRE-GOSISDBHSA-N 2 1 387.474 3.877 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374800958 927536667 /nfs/dbraw/zinc/53/66/67/927536667.db2.gz QMLRMVXXRRTWPR-LJQANCHMSA-N 2 1 398.555 3.703 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374800958 927536672 /nfs/dbraw/zinc/53/66/72/927536672.db2.gz QMLRMVXXRRTWPR-LJQANCHMSA-N 2 1 398.555 3.703 20 0 GHADMP CCCCc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)s1 ZINC001276220347 927891706 /nfs/dbraw/zinc/89/17/06/927891706.db2.gz NPKVBRVBXLZJET-OAQYLSRUSA-N 2 1 377.598 3.609 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000751054549 928003350 /nfs/dbraw/zinc/00/33/50/928003350.db2.gz LISMYAXLCGDHDR-VNXZQDSDSA-N 2 1 383.580 3.954 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1)C(C)C ZINC000751064004 928010317 /nfs/dbraw/zinc/01/03/17/928010317.db2.gz MTODLNYTTHTIKS-UHFFFAOYSA-N 2 1 394.563 3.921 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCCC1 ZINC000544204907 928930479 /nfs/dbraw/zinc/93/04/79/928930479.db2.gz DZXYLLJCNLYUCD-LJQANCHMSA-N 2 1 386.584 3.874 20 0 GHADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000467338131 928973865 /nfs/dbraw/zinc/97/38/65/928973865.db2.gz IFBVYBSSFZHQCN-ZEQRLZLVSA-N 2 1 392.591 3.953 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857693 929055141 /nfs/dbraw/zinc/05/51/41/929055141.db2.gz UCPXGNAEVVOKPF-UXHICEINSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857693 929055152 /nfs/dbraw/zinc/05/51/52/929055152.db2.gz UCPXGNAEVVOKPF-UXHICEINSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857693 929055165 /nfs/dbraw/zinc/05/51/65/929055165.db2.gz UCPXGNAEVVOKPF-UXHICEINSA-N 2 1 386.584 3.668 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000467563953 929206205 /nfs/dbraw/zinc/20/62/05/929206205.db2.gz QIPOJHBPFQDMPF-PGRDOPGGSA-N 2 1 382.508 3.520 20 0 GHADMP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C ZINC000753627680 929451975 /nfs/dbraw/zinc/45/19/75/929451975.db2.gz ZYDHDASILZNRBN-HXUWFJFHSA-N 2 1 381.564 3.910 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467848401 929505398 /nfs/dbraw/zinc/50/53/98/929505398.db2.gz CSJOIXSTRJQQAG-OXJNMPFZSA-N 2 1 378.438 3.993 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000467848401 929505402 /nfs/dbraw/zinc/50/54/02/929505402.db2.gz CSJOIXSTRJQQAG-OXJNMPFZSA-N 2 1 378.438 3.993 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]32)cc1 ZINC000546052011 929806959 /nfs/dbraw/zinc/80/69/59/929806959.db2.gz HJVHPHMILZWFJL-FGZHOGPDSA-N 2 1 391.563 3.958 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]32)cc1 ZINC000546052011 929806971 /nfs/dbraw/zinc/80/69/71/929806971.db2.gz HJVHPHMILZWFJL-FGZHOGPDSA-N 2 1 391.563 3.958 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(O)c2Br)CC1 ZINC000546269269 930007222 /nfs/dbraw/zinc/00/72/22/930007222.db2.gz WARGEVBJKGNNCR-UHFFFAOYSA-N 2 1 385.346 3.717 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccccc2Br)s1 ZINC000546574204 930272557 /nfs/dbraw/zinc/27/25/57/930272557.db2.gz GKPOYIBAJLJBSC-SCLBCKFNSA-N 2 1 395.366 3.895 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000470105568 930377873 /nfs/dbraw/zinc/37/78/73/930377873.db2.gz PMGYMBPWZAAMQN-NOTZXAQLSA-N 2 1 377.532 3.674 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000470105568 930377876 /nfs/dbraw/zinc/37/78/76/930377876.db2.gz PMGYMBPWZAAMQN-NOTZXAQLSA-N 2 1 377.532 3.674 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000470133702 930397460 /nfs/dbraw/zinc/39/74/60/930397460.db2.gz NMQWXONFMCBNAO-JVICHNFNSA-N 2 1 392.543 3.618 20 0 GHADMP COc1ccc(C[C@H](C)C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000547018811 930617934 /nfs/dbraw/zinc/61/79/34/930617934.db2.gz XBRNZWJVTVFXQM-SFHVURJKSA-N 2 1 386.511 3.635 20 0 GHADMP COc1cccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)oc21 ZINC000781640216 930920945 /nfs/dbraw/zinc/92/09/45/930920945.db2.gz DUSJAVSCXHECBU-FQEVSTJZSA-N 2 1 380.488 3.688 20 0 GHADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925021549 931615505 /nfs/dbraw/zinc/61/55/05/931615505.db2.gz AHTXZOVGJKYHBO-XXBNENTESA-N 2 1 379.504 3.744 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925021549 931615511 /nfs/dbraw/zinc/61/55/11/931615511.db2.gz AHTXZOVGJKYHBO-XXBNENTESA-N 2 1 379.504 3.744 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CC2)cs1 ZINC000925030263 931618358 /nfs/dbraw/zinc/61/83/58/931618358.db2.gz HHCHQZCJURVFFP-RXVVDRJESA-N 2 1 377.598 3.712 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@H]3C)CC2)oc1C ZINC000925037020 931620416 /nfs/dbraw/zinc/62/04/16/931620416.db2.gz GRYNCVKEGUJXBC-WMZHIEFXSA-N 2 1 396.579 3.756 20 0 GHADMP CON1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925089511 931641063 /nfs/dbraw/zinc/64/10/63/931641063.db2.gz JZPDMNSFWOBXMT-QFBILLFUSA-N 2 1 385.474 3.704 20 0 GHADMP CON1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925089511 931641067 /nfs/dbraw/zinc/64/10/67/931641067.db2.gz JZPDMNSFWOBXMT-QFBILLFUSA-N 2 1 385.474 3.704 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000783977203 931738049 /nfs/dbraw/zinc/73/80/49/931738049.db2.gz GYTHOCDHBKYIRD-HSZRJFAPSA-N 2 1 379.548 3.852 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000783977203 931738052 /nfs/dbraw/zinc/73/80/52/931738052.db2.gz GYTHOCDHBKYIRD-HSZRJFAPSA-N 2 1 379.548 3.852 20 0 GHADMP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H](C)C1 ZINC000558012672 931800684 /nfs/dbraw/zinc/80/06/84/931800684.db2.gz RQSVVLCRFGFHSO-IKLNAOFOSA-N 2 1 398.595 3.682 20 0 GHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H](C)C1 ZINC000558012672 931800686 /nfs/dbraw/zinc/80/06/86/931800686.db2.gz RQSVVLCRFGFHSO-IKLNAOFOSA-N 2 1 398.595 3.682 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1F ZINC000925749188 931891721 /nfs/dbraw/zinc/89/17/21/931891721.db2.gz VEJFPAMHNNVVKB-WMLDXEAASA-N 2 1 375.513 3.834 20 0 GHADMP O=C(Nc1cccc(-c2cccs2)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000925999959 931998229 /nfs/dbraw/zinc/99/82/29/931998229.db2.gz MLLOKUWVGXXRNG-BGYRXZFFSA-N 2 1 396.560 3.848 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796741374 932049136 /nfs/dbraw/zinc/04/91/36/932049136.db2.gz COVUZACYEWZWMW-DLBZAZTESA-N 2 1 376.545 3.622 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796741374 932049142 /nfs/dbraw/zinc/04/91/42/932049142.db2.gz COVUZACYEWZWMW-DLBZAZTESA-N 2 1 376.545 3.622 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000796797345 932071423 /nfs/dbraw/zinc/07/14/23/932071423.db2.gz UHQXIBFXIGUDAA-SBFWRKJZSA-N 2 1 380.532 3.761 20 0 GHADMP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000559081396 932420698 /nfs/dbraw/zinc/42/06/98/932420698.db2.gz WNUNYHMQNSDNAU-JOCHJYFZSA-N 2 1 396.531 3.629 20 0 GHADMP c1cn(-c2csc(C[N@@H+](Cc3ccc(-n4cncn4)cc3)C3CC3)c2)cn1 ZINC000559098328 932433973 /nfs/dbraw/zinc/43/39/73/932433973.db2.gz VFNNURBIGPRUAI-UHFFFAOYSA-N 2 1 376.489 3.679 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c2cccs2)CCO1 ZINC000559787077 932856847 /nfs/dbraw/zinc/85/68/47/932856847.db2.gz MJSLGWAVVNZXCY-ZHHKINOHSA-N 2 1 399.604 3.935 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c2cccs2)CCO1 ZINC000559787077 932856854 /nfs/dbraw/zinc/85/68/54/932856854.db2.gz MJSLGWAVVNZXCY-ZHHKINOHSA-N 2 1 399.604 3.935 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)nc2)CC1 ZINC000559817662 932875951 /nfs/dbraw/zinc/87/59/51/932875951.db2.gz KZVKSMBMTKLQKX-OFNKIYASSA-N 3 1 393.579 3.859 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccc(Br)cc3)C2)CC1 ZINC000799177061 932897843 /nfs/dbraw/zinc/89/78/43/932897843.db2.gz JVUQUWPSDZVLIK-UHFFFAOYSA-N 2 1 394.357 3.586 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176778 932898308 /nfs/dbraw/zinc/89/83/08/932898308.db2.gz DNEFOPRBJXNQCT-HNNXBMFYSA-N 2 1 394.357 3.584 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177531 932899449 /nfs/dbraw/zinc/89/94/49/932899449.db2.gz UEDGWRACWRGHPO-KRWDZBQOSA-N 2 1 377.960 3.667 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N[C@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000799178939 932900525 /nfs/dbraw/zinc/90/05/25/932900525.db2.gz SKYPRBCPBJKSTB-LJQANCHMSA-N 2 1 377.598 3.759 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000559890375 932924916 /nfs/dbraw/zinc/92/49/16/932924916.db2.gz FLFIGAYZKFJWGM-DNVJHFABSA-N 2 1 398.591 3.853 20 0 GHADMP Cc1ccnc([C@H](C)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559895199 932930973 /nfs/dbraw/zinc/93/09/73/932930973.db2.gz VLYRABWXGCOPOF-UNMCSNQZSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559895199 932930989 /nfs/dbraw/zinc/93/09/89/932930989.db2.gz VLYRABWXGCOPOF-UNMCSNQZSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1ccnc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559895199 932930996 /nfs/dbraw/zinc/93/09/96/932930996.db2.gz VLYRABWXGCOPOF-UNMCSNQZSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000560056583 933041053 /nfs/dbraw/zinc/04/10/53/933041053.db2.gz XFEBUXQGVSOZFZ-SIKLNZKXSA-N 2 1 385.596 3.681 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC001116075803 933320726 /nfs/dbraw/zinc/32/07/26/933320726.db2.gz UQRLJJPKHAKIPA-NRFANRHFSA-N 2 1 388.600 3.579 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000561141072 933910812 /nfs/dbraw/zinc/91/08/12/933910812.db2.gz YOTRNQLIYYCIGR-QHCPKHFHSA-N 2 1 385.596 3.739 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275072 934009019 /nfs/dbraw/zinc/00/90/19/934009019.db2.gz JZJJZNGGJDVVCO-NOZRDPDXSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275072 934009025 /nfs/dbraw/zinc/00/90/25/934009025.db2.gz JZJJZNGGJDVVCO-NOZRDPDXSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275072 934009028 /nfs/dbraw/zinc/00/90/28/934009028.db2.gz JZJJZNGGJDVVCO-NOZRDPDXSA-N 2 1 391.559 3.804 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC([NH+](C)Cc3ccccc3)C2)cc1)C1CC1 ZINC000561279102 934013354 /nfs/dbraw/zinc/01/33/54/934013354.db2.gz IDRKMTGKMUEGOU-UHFFFAOYSA-N 2 1 377.532 3.627 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc1)C1CC1 ZINC000561279102 934013363 /nfs/dbraw/zinc/01/33/63/934013363.db2.gz IDRKMTGKMUEGOU-UHFFFAOYSA-N 2 1 377.532 3.627 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1)C1CC1 ZINC000561279102 934013374 /nfs/dbraw/zinc/01/33/74/934013374.db2.gz IDRKMTGKMUEGOU-UHFFFAOYSA-N 2 1 377.532 3.627 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC2)CC1 ZINC000561315089 934045694 /nfs/dbraw/zinc/04/56/94/934045694.db2.gz FRWHXWUGVWSCGC-QGZVFWFLSA-N 2 1 391.522 3.666 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C3CC(OCc4ccccc4)C3)C2)ccn1 ZINC000931095096 934375238 /nfs/dbraw/zinc/37/52/38/934375238.db2.gz WGRDZFKXYBQSHX-SHSGKGFPSA-N 2 1 395.547 3.734 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C3CC(OCc4ccccc4)C3)C2)ccn1 ZINC000931095096 934375248 /nfs/dbraw/zinc/37/52/48/934375248.db2.gz WGRDZFKXYBQSHX-SHSGKGFPSA-N 2 1 395.547 3.734 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C3CC(OCc4ccccc4)C3)C2)ccn1 ZINC000931095096 934375258 /nfs/dbraw/zinc/37/52/58/934375258.db2.gz WGRDZFKXYBQSHX-SHSGKGFPSA-N 2 1 395.547 3.734 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001119987991 934430966 /nfs/dbraw/zinc/43/09/66/934430966.db2.gz DFPUVZBXNHSTKR-YXJHDRRASA-N 2 1 394.357 3.570 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000562242200 934781281 /nfs/dbraw/zinc/78/12/81/934781281.db2.gz MIBLVZQNJKAEAP-VXKWHMMOSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000562242200 934781283 /nfs/dbraw/zinc/78/12/83/934781283.db2.gz MIBLVZQNJKAEAP-VXKWHMMOSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000562242200 934781287 /nfs/dbraw/zinc/78/12/87/934781287.db2.gz MIBLVZQNJKAEAP-VXKWHMMOSA-N 2 1 398.595 3.605 20 0 GHADMP [NH3+]C1(CC(=O)Nc2cccc(-c3ccon3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC001122342625 934856332 /nfs/dbraw/zinc/85/63/32/934856332.db2.gz GYJQYBMUFWVZTI-UHFFFAOYSA-N 2 1 390.487 3.664 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001125133032 935532563 /nfs/dbraw/zinc/53/25/63/935532563.db2.gz MCZCKFCNIHPOQN-LJQANCHMSA-N 2 1 385.577 3.742 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001125133032 935532566 /nfs/dbraw/zinc/53/25/66/935532566.db2.gz MCZCKFCNIHPOQN-LJQANCHMSA-N 2 1 385.577 3.742 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)c4ccccc34)CC2)C1 ZINC001138017936 935930070 /nfs/dbraw/zinc/93/00/70/935930070.db2.gz BJGPQTOUQNRMAV-FQEVSTJZSA-N 2 1 380.532 3.998 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)c4ccccc34)CC2)C1 ZINC001138017936 935930072 /nfs/dbraw/zinc/93/00/72/935930072.db2.gz BJGPQTOUQNRMAV-FQEVSTJZSA-N 2 1 380.532 3.998 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1coc2ccccc12 ZINC000374200202 1015061955 /nfs/dbraw/zinc/06/19/55/1015061955.db2.gz ATDSQPTZBPABQE-UHFFFAOYSA-N 2 1 383.536 3.701 20 0 GHADMP C(C[NH+]1CCSC2(CCC2)CC1)OCC[N@H+]1CCSC2(CCC2)CC1 ZINC000411866011 1015058183 /nfs/dbraw/zinc/05/81/83/1015058183.db2.gz GSNGPCXLDLERRH-UHFFFAOYSA-N 2 1 384.655 3.726 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000468014031 1015142896 /nfs/dbraw/zinc/14/28/96/1015142896.db2.gz NDVFUIXKGUXFFM-HOTGVXAUSA-N 2 1 397.485 3.659 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001221010803 1032233418 /nfs/dbraw/zinc/23/34/18/1032233418.db2.gz QRMUTSXQMJZDBG-VJBWXMMDSA-N 2 1 391.559 3.754 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070705 1032265289 /nfs/dbraw/zinc/26/52/89/1032265289.db2.gz ALYYWGYXAPEITG-ROUUACIJSA-N 2 1 392.613 3.693 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001221088849 1032279282 /nfs/dbraw/zinc/27/92/82/1032279282.db2.gz YCTBIALKFGNUNM-RBUKOAKNSA-N 2 1 390.597 3.591 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001221135131 1032301518 /nfs/dbraw/zinc/30/15/18/1032301518.db2.gz ZBWJXKZGGGDGIQ-HSZRJFAPSA-N 2 1 398.595 3.879 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC001227177699 1032309927 /nfs/dbraw/zinc/30/99/27/1032309927.db2.gz GDXUYSIGOKHFEN-SFTDATJTSA-N 2 1 392.563 3.580 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC001221445414 1032419149 /nfs/dbraw/zinc/41/91/49/1032419149.db2.gz HPKBAPNCTKUUKY-UNMCSNQZSA-N 2 1 388.600 3.519 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001227458711 1032427520 /nfs/dbraw/zinc/42/75/20/1032427520.db2.gz ZNZKFBSDQUVJBC-UDTLNKQYSA-N 2 1 392.632 3.983 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221472546 1032429794 /nfs/dbraw/zinc/42/97/94/1032429794.db2.gz NZQQVVFHQUEGHL-NVQBRXGOSA-N 2 1 384.568 3.528 20 0 GHADMP CC(C)Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncn1 ZINC001155360717 1032518337 /nfs/dbraw/zinc/51/83/37/1032518337.db2.gz BGNYZVIKVYVHDE-OAQYLSRUSA-N 2 1 393.579 3.589 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC001221913921 1032571616 /nfs/dbraw/zinc/57/16/16/1032571616.db2.gz WKFLLLLUHQFGMM-LJQANCHMSA-N 2 1 380.621 3.697 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1 ZINC001204145941 1032601997 /nfs/dbraw/zinc/60/19/97/1032601997.db2.gz IGWFZWKGAGWXLN-UHFFFAOYSA-N 2 1 393.531 3.745 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001204160345 1032611998 /nfs/dbraw/zinc/61/19/98/1032611998.db2.gz SVJBZWKZACXUKY-WOJBJXKFSA-N 2 1 382.470 3.886 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001204160345 1032612009 /nfs/dbraw/zinc/61/20/09/1032612009.db2.gz SVJBZWKZACXUKY-WOJBJXKFSA-N 2 1 382.470 3.886 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001204160345 1032612016 /nfs/dbraw/zinc/61/20/16/1032612016.db2.gz SVJBZWKZACXUKY-WOJBJXKFSA-N 2 1 382.470 3.886 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001204160345 1032612019 /nfs/dbraw/zinc/61/20/19/1032612019.db2.gz SVJBZWKZACXUKY-WOJBJXKFSA-N 2 1 382.470 3.886 20 0 GHADMP c1oc(-c2ccccc2)nc1CN1CCC(N[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925658601 1017129885 /nfs/dbraw/zinc/12/98/85/1017129885.db2.gz JKWPMVBJYTYSCD-OAQYLSRUSA-N 2 1 380.536 3.570 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)n2)cc1 ZINC000562838933 1018697360 /nfs/dbraw/zinc/69/73/60/1018697360.db2.gz SMIFQSOJSFJFEX-FPOVZHCZSA-N 2 1 384.524 3.578 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CO[C@@H]1CCCc2ccccc21 ZINC000563515174 1018923397 /nfs/dbraw/zinc/92/33/97/1018923397.db2.gz LMSOXBLCOADURV-UKILVPOCSA-N 2 1 394.559 3.696 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCCCO5)C[C@@H]3C2)cc1 ZINC000565140975 1019168393 /nfs/dbraw/zinc/16/83/93/1019168393.db2.gz CNDSSBUJFDNUJS-IRLDBZIGSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c4OCCCO5)C[C@@H]3C2)cc1 ZINC000565140975 1019168401 /nfs/dbraw/zinc/16/84/01/1019168401.db2.gz CNDSSBUJFDNUJS-IRLDBZIGSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCCO5)C[C@@H]3C2)cc1 ZINC000565140975 1019168410 /nfs/dbraw/zinc/16/84/10/1019168410.db2.gz CNDSSBUJFDNUJS-IRLDBZIGSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCCO5)C[C@@H]3C2)cc1 ZINC000565140975 1019168416 /nfs/dbraw/zinc/16/84/16/1019168416.db2.gz CNDSSBUJFDNUJS-IRLDBZIGSA-N 2 1 378.516 3.802 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000571921568 1019726885 /nfs/dbraw/zinc/72/68/85/1019726885.db2.gz ZCOKMGCOJKMCLS-OAHLLOKOSA-N 2 1 380.414 3.577 20 0 GHADMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000572259522 1019758860 /nfs/dbraw/zinc/75/88/60/1019758860.db2.gz YSVYAKFUFYOLJN-XMMPIXPASA-N 2 1 393.575 3.986 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000572690494 1019794950 /nfs/dbraw/zinc/79/49/50/1019794950.db2.gz NYGONLASAUTTNC-AOIWGVFYSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000572690494 1019794964 /nfs/dbraw/zinc/79/49/64/1019794964.db2.gz NYGONLASAUTTNC-AOIWGVFYSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000572690494 1019794982 /nfs/dbraw/zinc/79/49/82/1019794982.db2.gz NYGONLASAUTTNC-AOIWGVFYSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1COc2ccccc2O1 ZINC000578047640 1020309624 /nfs/dbraw/zinc/30/96/24/1020309624.db2.gz MXJKXMULJDLQPK-HXUWFJFHSA-N 2 1 378.476 3.628 20 0 GHADMP COc1ccc(C[C@@H]([NH2+]CCCc2c[nH+]cn2C)c2ccccc2)cc1OC ZINC000579138858 1020388829 /nfs/dbraw/zinc/38/88/29/1020388829.db2.gz YIVSRQSLUXYILZ-OAQYLSRUSA-N 2 1 379.504 3.944 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628036698 1020652090 /nfs/dbraw/zinc/65/20/90/1020652090.db2.gz HGCVZWIKWITBEE-HKUYNNGSSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628036698 1020652094 /nfs/dbraw/zinc/65/20/94/1020652094.db2.gz HGCVZWIKWITBEE-HKUYNNGSSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628036698 1020652102 /nfs/dbraw/zinc/65/21/02/1020652102.db2.gz HGCVZWIKWITBEE-HKUYNNGSSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628036698 1020652103 /nfs/dbraw/zinc/65/21/03/1020652103.db2.gz HGCVZWIKWITBEE-HKUYNNGSSA-N 2 1 377.960 3.541 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204491641 1032924149 /nfs/dbraw/zinc/92/41/49/1032924149.db2.gz IKZIAUCNYMMMEC-HSZRJFAPSA-N 2 1 392.543 3.877 20 0 GHADMP c1cc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc2c1OCC2 ZINC001204492483 1032925768 /nfs/dbraw/zinc/92/57/68/1032925768.db2.gz QRCANOKYVZUBNL-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc2c1OCC2 ZINC001204492483 1032925771 /nfs/dbraw/zinc/92/57/71/1032925771.db2.gz QRCANOKYVZUBNL-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc2c1OCC2 ZINC001204492483 1032925777 /nfs/dbraw/zinc/92/57/77/1032925777.db2.gz QRCANOKYVZUBNL-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc2c1OCC2 ZINC001204492483 1032925785 /nfs/dbraw/zinc/92/57/85/1032925785.db2.gz QRCANOKYVZUBNL-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc2c1OCC2 ZINC001204492483 1032925787 /nfs/dbraw/zinc/92/57/87/1032925787.db2.gz QRCANOKYVZUBNL-NOZRDPDXSA-N 2 1 396.575 3.582 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4cc(OC)ccc4c3)CC2)C1 ZINC001204519152 1032945576 /nfs/dbraw/zinc/94/55/76/1032945576.db2.gz WVSPDQDVBQHZGD-NRFANRHFSA-N 2 1 396.531 3.698 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4cc(OC)ccc4c3)CC2)C1 ZINC001204519152 1032945580 /nfs/dbraw/zinc/94/55/80/1032945580.db2.gz WVSPDQDVBQHZGD-NRFANRHFSA-N 2 1 396.531 3.698 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245786190 1021025565 /nfs/dbraw/zinc/02/55/65/1021025565.db2.gz ZNYYSSCNRWNHAH-NCYKPQTJSA-N 2 1 385.552 3.781 20 0 GHADMP CC[C@@H]1C[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC[C@@H]1[NH3+] ZINC000647498312 1021147942 /nfs/dbraw/zinc/14/79/42/1021147942.db2.gz FALYYIGUFZUUGE-KDOFPFPSSA-N 2 1 377.330 3.502 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC[C@@H]1[NH3+] ZINC000647498312 1021147943 /nfs/dbraw/zinc/14/79/43/1021147943.db2.gz FALYYIGUFZUUGE-KDOFPFPSSA-N 2 1 377.330 3.502 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccc(OCC[NH+]4CCCC4)cc3)c2)CC1 ZINC001204538281 1032957276 /nfs/dbraw/zinc/95/72/76/1032957276.db2.gz ZDIKPZNCIWUEHP-UHFFFAOYSA-N 2 1 394.563 3.652 20 0 GHADMP CC[N@H+](CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)C1CCCCC1 ZINC000652237287 1021216006 /nfs/dbraw/zinc/21/60/06/1021216006.db2.gz KFKKWCTZFKSYCG-QGZVFWFLSA-N 2 1 396.597 3.794 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)C1CCCCC1 ZINC000652237287 1021216018 /nfs/dbraw/zinc/21/60/18/1021216018.db2.gz KFKKWCTZFKSYCG-QGZVFWFLSA-N 2 1 396.597 3.794 20 0 GHADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000834501486 1021228948 /nfs/dbraw/zinc/22/89/48/1021228948.db2.gz BREQODMNUJMJQI-VSKRKVRLSA-N 2 1 385.552 3.640 20 0 GHADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000834526290 1021246058 /nfs/dbraw/zinc/24/60/58/1021246058.db2.gz GNKBSKBFSAZVOQ-FCJDFRRUSA-N 2 1 380.532 3.761 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C)ccc(Br)c2F)C1 ZINC001204594575 1032988714 /nfs/dbraw/zinc/98/87/14/1032988714.db2.gz ZVEWWUIFYUCFRY-HNNXBMFYSA-N 2 1 387.337 3.829 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)ccc(Br)c2F)C1 ZINC001204594575 1032988722 /nfs/dbraw/zinc/98/87/22/1032988722.db2.gz ZVEWWUIFYUCFRY-HNNXBMFYSA-N 2 1 387.337 3.829 20 0 GHADMP CC(C)Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC001204601836 1032989615 /nfs/dbraw/zinc/98/96/15/1032989615.db2.gz OWGKSVMRFPDXFP-UHFFFAOYSA-N 2 1 386.628 3.908 20 0 GHADMP Cc1ccc(Cl)nc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001140443717 1021728199 /nfs/dbraw/zinc/72/81/99/1021728199.db2.gz XGOKLLQYTRODNV-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP Cc1ccc(Cl)nc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001140443717 1021728214 /nfs/dbraw/zinc/72/82/14/1021728214.db2.gz XGOKLLQYTRODNV-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ncccc3C(F)(F)F)CC2)CC1 ZINC000678285747 1021916445 /nfs/dbraw/zinc/91/64/45/1021916445.db2.gz AIFOANBVCASRJR-UHFFFAOYSA-N 2 1 398.517 3.729 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OCCC(C)C ZINC000678930601 1021942278 /nfs/dbraw/zinc/94/22/78/1021942278.db2.gz UKBFSGDLZYOGKY-NRFANRHFSA-N 2 1 390.568 3.853 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1)CC(C)C ZINC000679684250 1022034272 /nfs/dbraw/zinc/03/42/72/1022034272.db2.gz NMRGTVATRGPZLH-FQEVSTJZSA-N 2 1 389.588 3.546 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCN(C[C@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721367 1022041909 /nfs/dbraw/zinc/04/19/09/1022041909.db2.gz LMZSKCZXRSAFNJ-VHXCZSFDSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CC[NH+](C[C@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721367 1022041928 /nfs/dbraw/zinc/04/19/28/1022041928.db2.gz LMZSKCZXRSAFNJ-VHXCZSFDSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CC[NH+](C[C@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721367 1022041944 /nfs/dbraw/zinc/04/19/44/1022041944.db2.gz LMZSKCZXRSAFNJ-VHXCZSFDSA-N 2 1 397.607 3.520 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001140614690 1022074697 /nfs/dbraw/zinc/07/46/97/1022074697.db2.gz FTQVAGNYGMXZAY-UHFFFAOYSA-N 2 1 395.547 3.906 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC001140688074 1022263118 /nfs/dbraw/zinc/26/31/18/1022263118.db2.gz GNGWGNPGNRAQNN-UHFFFAOYSA-N 2 1 381.520 3.680 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](Cc4c[nH]c5cc[nH+]cc45)C[C@H]2C3)c1 ZINC001140801406 1022569945 /nfs/dbraw/zinc/56/99/45/1022569945.db2.gz MLUKVXQEPKZOKY-UZLBHIALSA-N 2 1 399.498 3.744 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4c[nH]c5cc[nH+]cc45)C[C@H]2C3)c1 ZINC001140801406 1022569957 /nfs/dbraw/zinc/56/99/57/1022569957.db2.gz MLUKVXQEPKZOKY-UZLBHIALSA-N 2 1 399.498 3.744 20 0 GHADMP O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140803458 1022574209 /nfs/dbraw/zinc/57/42/09/1022574209.db2.gz QUGZWKJKOXCYSZ-DEOSSOPVSA-N 2 1 388.515 3.620 20 0 GHADMP O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140803458 1022574221 /nfs/dbraw/zinc/57/42/21/1022574221.db2.gz QUGZWKJKOXCYSZ-DEOSSOPVSA-N 2 1 388.515 3.620 20 0 GHADMP Cc1nc(CO[C@@H]2COC3(C2)CC[NH+](Cc2c[nH]c4cc[nH+]cc24)CC3)cs1 ZINC001140802875 1022574577 /nfs/dbraw/zinc/57/45/77/1022574577.db2.gz HQJBYCKXKQLHRZ-SFHVURJKSA-N 2 1 398.532 3.668 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3ccccc3N3CCN(C)CC3)CC2)CC1 ZINC001140975823 1023060032 /nfs/dbraw/zinc/06/00/32/1023060032.db2.gz WGGJMCIWHVTWOA-UHFFFAOYSA-N 2 1 398.639 3.772 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001141103307 1023499938 /nfs/dbraw/zinc/49/99/38/1023499938.db2.gz KJNKXRBNCMYXRQ-PUHATCMVSA-N 2 1 395.595 3.949 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001141103307 1023499944 /nfs/dbraw/zinc/49/99/44/1023499944.db2.gz KJNKXRBNCMYXRQ-PUHATCMVSA-N 2 1 395.595 3.949 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001141103307 1023499948 /nfs/dbraw/zinc/49/99/48/1023499948.db2.gz KJNKXRBNCMYXRQ-PUHATCMVSA-N 2 1 395.595 3.949 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc(C(C)(C)C)c3)CC[C@@H]21 ZINC001141103307 1023499959 /nfs/dbraw/zinc/49/99/59/1023499959.db2.gz KJNKXRBNCMYXRQ-PUHATCMVSA-N 2 1 395.595 3.949 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(F)c1 ZINC001204916197 1033164192 /nfs/dbraw/zinc/16/41/92/1033164192.db2.gz RPIVWCDAWDKNLN-SFHVURJKSA-N 2 1 388.483 3.683 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc(O)c1OC ZINC001141175250 1024010917 /nfs/dbraw/zinc/01/09/17/1024010917.db2.gz OUKNQSDHVRHRNL-RTWAWAEBSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc(O)c1OC ZINC001141175250 1024010932 /nfs/dbraw/zinc/01/09/32/1024010932.db2.gz OUKNQSDHVRHRNL-RTWAWAEBSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc(O)c1OC ZINC001141175250 1024010952 /nfs/dbraw/zinc/01/09/52/1024010952.db2.gz OUKNQSDHVRHRNL-RTWAWAEBSA-N 2 1 396.531 3.753 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001138296916 1024577965 /nfs/dbraw/zinc/57/79/65/1024577965.db2.gz JCQGFIMESGMJIX-OAQYLSRUSA-N 2 1 377.548 3.761 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001138296916 1024577977 /nfs/dbraw/zinc/57/79/77/1024577977.db2.gz JCQGFIMESGMJIX-OAQYLSRUSA-N 2 1 377.548 3.761 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001138411894 1024797115 /nfs/dbraw/zinc/79/71/15/1024797115.db2.gz MELOHQZKQYZJLN-MBSDFSHPSA-N 2 1 385.527 3.796 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001138411894 1024797127 /nfs/dbraw/zinc/79/71/27/1024797127.db2.gz MELOHQZKQYZJLN-MBSDFSHPSA-N 2 1 385.527 3.796 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001138411894 1024797136 /nfs/dbraw/zinc/79/71/36/1024797136.db2.gz MELOHQZKQYZJLN-MBSDFSHPSA-N 2 1 385.527 3.796 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001138411894 1024797143 /nfs/dbraw/zinc/79/71/43/1024797143.db2.gz MELOHQZKQYZJLN-MBSDFSHPSA-N 2 1 385.527 3.796 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138446219 1024866177 /nfs/dbraw/zinc/86/61/77/1024866177.db2.gz VEHSKYUPPIGRIP-VWNXMTODSA-N 2 1 394.563 3.565 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138446219 1024866198 /nfs/dbraw/zinc/86/61/98/1024866198.db2.gz VEHSKYUPPIGRIP-VWNXMTODSA-N 2 1 394.563 3.565 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138446219 1024866211 /nfs/dbraw/zinc/86/62/11/1024866211.db2.gz VEHSKYUPPIGRIP-VWNXMTODSA-N 2 1 394.563 3.565 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C2 ZINC001138446219 1024866231 /nfs/dbraw/zinc/86/62/31/1024866231.db2.gz VEHSKYUPPIGRIP-VWNXMTODSA-N 2 1 394.563 3.565 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC001138543687 1024987236 /nfs/dbraw/zinc/98/72/36/1024987236.db2.gz XXSJFGBZXRZZHG-DNVJHFABSA-N 2 1 381.520 3.729 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 ZINC001138543687 1024987239 /nfs/dbraw/zinc/98/72/39/1024987239.db2.gz XXSJFGBZXRZZHG-DNVJHFABSA-N 2 1 381.520 3.729 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)cc1 ZINC001138544335 1024988450 /nfs/dbraw/zinc/98/84/50/1024988450.db2.gz GLUAEOABXQNALK-AZUAARDMSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)cc1 ZINC001138544335 1024988452 /nfs/dbraw/zinc/98/84/52/1024988452.db2.gz GLUAEOABXQNALK-AZUAARDMSA-N 2 1 382.508 3.622 20 0 GHADMP COc1cccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)n1 ZINC001138550607 1025000718 /nfs/dbraw/zinc/00/07/18/1025000718.db2.gz ZHGKXTJEGUXNKB-UHFFFAOYSA-N 2 1 378.476 3.628 20 0 GHADMP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c(C)c1C ZINC001138724979 1025252662 /nfs/dbraw/zinc/25/26/62/1025252662.db2.gz VDHGGHCCZZLXIC-UHFFFAOYSA-N 2 1 396.579 3.985 20 0 GHADMP COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c(C)c1C ZINC001138724979 1025252667 /nfs/dbraw/zinc/25/26/67/1025252667.db2.gz VDHGGHCCZZLXIC-UHFFFAOYSA-N 2 1 396.579 3.985 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CCC(O)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138761843 1025318971 /nfs/dbraw/zinc/31/89/71/1025318971.db2.gz AJBGXUYVQXRZLJ-QFIPXVFZSA-N 2 1 393.575 3.602 20 0 GHADMP C[N@H+](Cc1ccccc1N1CCC(O)CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138761843 1025319007 /nfs/dbraw/zinc/31/90/07/1025319007.db2.gz AJBGXUYVQXRZLJ-QFIPXVFZSA-N 2 1 393.575 3.602 20 0 GHADMP C[NH+](Cc1ccccc1N1CCC(O)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001138761843 1025319054 /nfs/dbraw/zinc/31/90/54/1025319054.db2.gz AJBGXUYVQXRZLJ-QFIPXVFZSA-N 2 1 393.575 3.602 20 0 GHADMP C[NH+](Cc1ccccc1N1CCC(O)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138761843 1025319086 /nfs/dbraw/zinc/31/90/86/1025319086.db2.gz AJBGXUYVQXRZLJ-QFIPXVFZSA-N 2 1 393.575 3.602 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1C ZINC001141572850 1025618463 /nfs/dbraw/zinc/61/84/63/1025618463.db2.gz ARXPIOKZTPUQLX-TZIWHRDSSA-N 2 1 388.600 3.858 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1C ZINC001141572849 1025618504 /nfs/dbraw/zinc/61/85/04/1025618504.db2.gz ARXPIOKZTPUQLX-PZJWPPBQSA-N 2 1 388.600 3.858 20 0 GHADMP CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1OCC ZINC001138973497 1025692701 /nfs/dbraw/zinc/69/27/01/1025692701.db2.gz SRYIYPTXPVPDFR-YADHBBJMSA-N 2 1 395.547 3.833 20 0 GHADMP CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1OCC ZINC001138973497 1025692709 /nfs/dbraw/zinc/69/27/09/1025692709.db2.gz SRYIYPTXPVPDFR-YADHBBJMSA-N 2 1 395.547 3.833 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1OCC ZINC001138973497 1025692713 /nfs/dbraw/zinc/69/27/13/1025692713.db2.gz SRYIYPTXPVPDFR-YADHBBJMSA-N 2 1 395.547 3.833 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1OCC ZINC001138973497 1025692719 /nfs/dbraw/zinc/69/27/19/1025692719.db2.gz SRYIYPTXPVPDFR-YADHBBJMSA-N 2 1 395.547 3.833 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2C1 ZINC001461037925 1069352665 /nfs/dbraw/zinc/35/26/65/1069352665.db2.gz CRPMXUDJUVSILL-OAHLLOKOSA-N 2 1 391.581 3.615 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)nc1OC ZINC001139103985 1025913162 /nfs/dbraw/zinc/91/31/62/1025913162.db2.gz AOIWOJBKVDZLCD-FQEVSTJZSA-N 2 1 385.508 3.568 20 0 GHADMP Cc1c2[nH+]c[nH]c2ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933765 1025972241 /nfs/dbraw/zinc/97/22/41/1025972241.db2.gz HXKXUTUXTGITAN-HXUWFJFHSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1c2nc[nH]c2ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933765 1025972243 /nfs/dbraw/zinc/97/22/43/1025972243.db2.gz HXKXUTUXTGITAN-HXUWFJFHSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1c2nc[nH]c2ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933765 1025972249 /nfs/dbraw/zinc/97/22/49/1025972249.db2.gz HXKXUTUXTGITAN-HXUWFJFHSA-N 2 1 389.547 3.785 20 0 GHADMP c1cc2ncc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2o1 ZINC001162935542 1025972643 /nfs/dbraw/zinc/97/26/43/1025972643.db2.gz RZOINAJPOHZBCV-IBGZPJMESA-N 2 1 376.504 3.742 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc(C4CC4)cn3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940437 1025976450 /nfs/dbraw/zinc/97/64/50/1025976450.db2.gz DMAACGCHGHZAAR-QFIPXVFZSA-N 2 1 376.548 3.873 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCCC[C@H]4C)cc3)C[N@H+]2C1 ZINC001141649890 1026064315 /nfs/dbraw/zinc/06/43/15/1026064315.db2.gz AAPLUGGJRCDQFI-NNLJWKLDSA-N 2 1 383.580 3.798 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)C[NH+]2C1 ZINC001141649890 1026064332 /nfs/dbraw/zinc/06/43/32/1026064332.db2.gz AAPLUGGJRCDQFI-NNLJWKLDSA-N 2 1 383.580 3.798 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)C[NH+]2C1 ZINC001141649890 1026064347 /nfs/dbraw/zinc/06/43/47/1026064347.db2.gz AAPLUGGJRCDQFI-NNLJWKLDSA-N 2 1 383.580 3.798 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000839608813 1026108507 /nfs/dbraw/zinc/10/85/07/1026108507.db2.gz XEMNNVUMCZTTNF-IBGZPJMESA-N 2 1 397.485 3.563 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccc(N5CCCCC5)nc4)C[C@H]3C2)cc1 ZINC001139344961 1026210161 /nfs/dbraw/zinc/21/01/61/1026210161.db2.gz VOTRXJRZRHDJOU-ZRZAMGCNSA-N 2 1 376.548 3.636 20 0 GHADMP c1cc(-c2ccc(CN3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cn2)cs1 ZINC001139498809 1026356469 /nfs/dbraw/zinc/35/64/69/1026356469.db2.gz RIULWBOJMDRWMW-SFTDATJTSA-N 2 1 376.529 3.769 20 0 GHADMP CC[N@H+]1CCCN(Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139515778 1026373027 /nfs/dbraw/zinc/37/30/27/1026373027.db2.gz YJNBOZMTJDOECZ-UHFFFAOYSA-N 2 1 392.591 3.536 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000839985605 1026392738 /nfs/dbraw/zinc/39/27/38/1026392738.db2.gz APQGGRXGHGFEOP-JOCHJYFZSA-N 2 1 392.547 3.676 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000839985605 1026392748 /nfs/dbraw/zinc/39/27/48/1026392748.db2.gz APQGGRXGHGFEOP-JOCHJYFZSA-N 2 1 392.547 3.676 20 0 GHADMP C[C@H]1CC[C@@H](C[NH3+])N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164074542 1026402476 /nfs/dbraw/zinc/40/24/76/1026402476.db2.gz UHHAODFCGGJNDU-HOTGVXAUSA-N 2 1 399.608 3.730 20 0 GHADMP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(OCc2ccccc2)c1 ZINC001139558700 1026428531 /nfs/dbraw/zinc/42/85/31/1026428531.db2.gz VFASSHMIHUSRMB-UHFFFAOYSA-N 2 1 389.499 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1Cl)CC2 ZINC001139848244 1026666564 /nfs/dbraw/zinc/66/65/64/1026666564.db2.gz DXZWULSMUCADQK-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCCC[C@H]3C3CC[NH2+]CC3)c12 ZINC001165324859 1026704409 /nfs/dbraw/zinc/70/44/09/1026704409.db2.gz TURWFMZNPCWZOB-NRFANRHFSA-N 2 1 375.520 3.838 20 0 GHADMP Brc1ncc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)s1 ZINC001139914365 1026727971 /nfs/dbraw/zinc/72/79/71/1026727971.db2.gz VQDRCBCLGKLBTK-UHFFFAOYSA-N 2 1 396.354 3.987 20 0 GHADMP c1[nH+]c2cc(NCC3C[NH+](Cc4ccccc4)C3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001165455468 1026731049 /nfs/dbraw/zinc/73/10/49/1026731049.db2.gz WYYYQDFYVDWCIA-QFIPXVFZSA-N 3 1 389.547 3.895 20 0 GHADMP c1[nH+]c2cc(NCC3C[NH+](Cc4ccccc4)C3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001165455467 1026731316 /nfs/dbraw/zinc/73/13/16/1026731316.db2.gz WYYYQDFYVDWCIA-JOCHJYFZSA-N 3 1 389.547 3.895 20 0 GHADMP CN(Cc1sc2ccccc2c1Cl)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001167019875 1027201607 /nfs/dbraw/zinc/20/16/07/1027201607.db2.gz HCAZUIGMEYKJKH-UHFFFAOYSA-N 2 1 387.940 3.909 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(CO)cc2)CC3)c1 ZINC001203188583 1027226840 /nfs/dbraw/zinc/22/68/40/1027226840.db2.gz XXZRZBBFYUHZSG-UHFFFAOYSA-N 2 1 380.532 3.676 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccccc1F)CC2 ZINC001203347858 1027286061 /nfs/dbraw/zinc/28/60/61/1027286061.db2.gz HPOYFXFWAIQCPV-NRFANRHFSA-N 2 1 383.511 3.724 20 0 GHADMP c1c(-c2ccccc2)nn(CC2CCC2)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263900 1027411752 /nfs/dbraw/zinc/41/17/52/1027411752.db2.gz IEAQUIVVOOIMGD-UHFFFAOYSA-N 2 1 388.519 3.898 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203701981 1027542277 /nfs/dbraw/zinc/54/22/77/1027542277.db2.gz VXOKICJUMDPSHH-HXUWFJFHSA-N 2 1 385.577 3.955 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203701981 1027542282 /nfs/dbraw/zinc/54/22/82/1027542282.db2.gz VXOKICJUMDPSHH-HXUWFJFHSA-N 2 1 385.577 3.955 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001461258366 1069465055 /nfs/dbraw/zinc/46/50/55/1069465055.db2.gz WGBKVSGKMYCDRA-HKUYNNGSSA-N 2 1 391.357 3.906 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203955399 1027750540 /nfs/dbraw/zinc/75/05/40/1027750540.db2.gz NBHBGPWQWYNMTH-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203955399 1027750555 /nfs/dbraw/zinc/75/05/55/1027750555.db2.gz NBHBGPWQWYNMTH-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001203955399 1027750566 /nfs/dbraw/zinc/75/05/66/1027750566.db2.gz NBHBGPWQWYNMTH-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001203955399 1027750575 /nfs/dbraw/zinc/75/05/75/1027750575.db2.gz NBHBGPWQWYNMTH-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccc3ccccc32)CC1 ZINC001203983717 1027780811 /nfs/dbraw/zinc/78/08/11/1027780811.db2.gz HODJACSIUHRSHD-DNQXCXABSA-N 2 1 391.559 3.747 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)s1 ZINC001204030817 1027821205 /nfs/dbraw/zinc/82/12/05/1027821205.db2.gz BGEFQVIAAAVYKQ-UHFFFAOYSA-N 2 1 397.588 3.807 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001204063614 1027846906 /nfs/dbraw/zinc/84/69/06/1027846906.db2.gz IZSHYNBYWABOBS-MRXNPFEDSA-N 2 1 396.601 3.722 20 0 GHADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3sccc3Oc3ccccc3)CC2)CC1 ZINC001142001503 1027855149 /nfs/dbraw/zinc/85/51/49/1027855149.db2.gz SKVOUQFXVXLKFH-UHFFFAOYSA-N 2 1 399.560 3.526 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001204140781 1027911190 /nfs/dbraw/zinc/91/11/90/1027911190.db2.gz DSWYAHSCRLQXKI-UHFFFAOYSA-N 2 1 397.588 3.918 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000841056135 1028075708 /nfs/dbraw/zinc/07/57/08/1028075708.db2.gz CPNYQEOTILKJSA-UHFFFAOYSA-N 2 1 381.524 3.662 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC000841286632 1028372774 /nfs/dbraw/zinc/37/27/74/1028372774.db2.gz GDJBFTWDBGAZEJ-RXVVDRJESA-N 2 1 396.535 3.541 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001142275270 1028550195 /nfs/dbraw/zinc/55/01/95/1028550195.db2.gz GKLCDTWUQAPZTA-VWPQPMDRSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001142275270 1028550208 /nfs/dbraw/zinc/55/02/08/1028550208.db2.gz GKLCDTWUQAPZTA-VWPQPMDRSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001142275270 1028550229 /nfs/dbraw/zinc/55/02/29/1028550229.db2.gz GKLCDTWUQAPZTA-VWPQPMDRSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001142275270 1028550243 /nfs/dbraw/zinc/55/02/43/1028550243.db2.gz GKLCDTWUQAPZTA-VWPQPMDRSA-N 2 1 385.596 3.914 20 0 GHADMP COc1c(C)cnc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1C ZINC001142757128 1029382844 /nfs/dbraw/zinc/38/28/44/1029382844.db2.gz GMLNRHYZFIQWAH-HXUWFJFHSA-N 2 1 393.531 3.626 20 0 GHADMP Clc1cc(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cs1 ZINC001142768778 1029405840 /nfs/dbraw/zinc/40/58/40/1029405840.db2.gz KFJWIXXDGDFWOM-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP Clc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cs1 ZINC001142768778 1029405849 /nfs/dbraw/zinc/40/58/49/1029405849.db2.gz KFJWIXXDGDFWOM-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP CC1(c2cccc(C[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)c2)OCCO1 ZINC001461527800 1069593387 /nfs/dbraw/zinc/59/33/87/1069593387.db2.gz GFHRTQVTKMYWHY-UHFFFAOYSA-N 2 1 398.522 3.842 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671831 1029475596 /nfs/dbraw/zinc/47/55/96/1029475596.db2.gz ZHCOOWYAACHIRW-DENIHFKCSA-N 2 1 396.531 3.524 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671831 1029475609 /nfs/dbraw/zinc/47/56/09/1029475609.db2.gz ZHCOOWYAACHIRW-DENIHFKCSA-N 2 1 396.531 3.524 20 0 GHADMP COC(=O)N1CCC([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842699095 1029508341 /nfs/dbraw/zinc/50/83/41/1029508341.db2.gz HYCWRPYIPAPVNF-RXVVDRJESA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842699095 1029508347 /nfs/dbraw/zinc/50/83/47/1029508347.db2.gz HYCWRPYIPAPVNF-RXVVDRJESA-N 2 1 385.552 3.640 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3nccn3c1)CC2 ZINC001143020883 1029787979 /nfs/dbraw/zinc/78/79/79/1029787979.db2.gz FFHPUIZFWIRFFS-JOCHJYFZSA-N 2 1 390.531 3.590 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090442 1029838557 /nfs/dbraw/zinc/83/85/57/1029838557.db2.gz VSESVRWLTDZAPG-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC001143139899 1029864379 /nfs/dbraw/zinc/86/43/79/1029864379.db2.gz FJYWLEYAMOTQEG-HUVFLSCGSA-N 2 1 393.575 3.818 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc2c(c1C)c(C)ccc2C ZINC001143140724 1029865665 /nfs/dbraw/zinc/86/56/65/1029865665.db2.gz UUAVNTKPWVFQSB-LJQANCHMSA-N 2 1 385.552 3.846 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3scc4c3OCCO4)CC2)c2ccccc2[nH+]1 ZINC001143182308 1029887517 /nfs/dbraw/zinc/88/75/17/1029887517.db2.gz WXIDRDTTWUNXJF-UHFFFAOYSA-N 2 1 381.501 3.698 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001222009466 1029929119 /nfs/dbraw/zinc/92/91/19/1029929119.db2.gz ILQIMXALSCXPMB-XZOQPEGZSA-N 2 1 398.595 3.920 20 0 GHADMP FC(F)(F)c1cccnc1-c1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001222181557 1029990448 /nfs/dbraw/zinc/99/04/48/1029990448.db2.gz NKIIKEYAGDDXHX-UHFFFAOYSA-N 2 1 391.437 3.722 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1cc(Br)cc(Br)c1)CC2 ZINC001222211543 1030008531 /nfs/dbraw/zinc/00/85/31/1030008531.db2.gz LZSLGYHSACZMFU-UHFFFAOYSA-N 2 1 388.147 3.915 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(C(F)(F)F)cc1C)CC[NH2+]CC2 ZINC001222226505 1030019834 /nfs/dbraw/zinc/01/98/34/1030019834.db2.gz UQXFNGIRGHAKTL-KRWDZBQOSA-N 2 1 384.442 3.521 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)ccc1C(F)(F)F ZINC001143344798 1030053706 /nfs/dbraw/zinc/05/37/06/1030053706.db2.gz ZQRMQHOIVHFGOB-HDICACEKSA-N 2 1 391.437 3.673 20 0 GHADMP COc1cc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143344798 1030053719 /nfs/dbraw/zinc/05/37/19/1030053719.db2.gz ZQRMQHOIVHFGOB-HDICACEKSA-N 2 1 391.437 3.673 20 0 GHADMP COc1cc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)ccc1C(F)(F)F ZINC001143344798 1030053736 /nfs/dbraw/zinc/05/37/36/1030053736.db2.gz ZQRMQHOIVHFGOB-HDICACEKSA-N 2 1 391.437 3.673 20 0 GHADMP COc1ccccc1Oc1cccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222414319 1030115904 /nfs/dbraw/zinc/11/59/04/1030115904.db2.gz KARGKEMUOLBNPZ-UHFFFAOYSA-N 2 1 382.504 3.690 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)CCO3)cc1 ZINC001222574631 1030205685 /nfs/dbraw/zinc/20/56/85/1030205685.db2.gz IJRYIYYRMGMEJF-HSZRJFAPSA-N 2 1 392.543 3.925 20 0 GHADMP c1[nH]c2ccncc2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582952 1030211728 /nfs/dbraw/zinc/21/17/28/1030211728.db2.gz ILMZPJUIUOAMLN-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP CCc1cccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n1 ZINC001222591547 1030217603 /nfs/dbraw/zinc/21/76/03/1030217603.db2.gz VXPITJBUZTZOPR-HSZRJFAPSA-N 2 1 379.548 3.947 20 0 GHADMP CCc1cccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n1 ZINC001222591547 1030217615 /nfs/dbraw/zinc/21/76/15/1030217615.db2.gz VXPITJBUZTZOPR-HSZRJFAPSA-N 2 1 379.548 3.947 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2NCC3)cc1 ZINC001222595495 1030222065 /nfs/dbraw/zinc/22/20/65/1030222065.db2.gz BJMGWHTUHCZGQS-HSZRJFAPSA-N 2 1 391.559 3.958 20 0 GHADMP COc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc1C ZINC001222595994 1030222244 /nfs/dbraw/zinc/22/22/44/1030222244.db2.gz NSPBCDQNYBYZFM-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc1C ZINC001222595994 1030222256 /nfs/dbraw/zinc/22/22/56/1030222256.db2.gz NSPBCDQNYBYZFM-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP Clc1ccc(-c2ccc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)cc2)nn1 ZINC001222602638 1030228714 /nfs/dbraw/zinc/22/87/14/1030228714.db2.gz VYRUEDAXRDHWLO-HXUWFJFHSA-N 2 1 390.918 3.986 20 0 GHADMP Clc1ccc(-c2nccnc2C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222609799 1030234667 /nfs/dbraw/zinc/23/46/67/1030234667.db2.gz RGQWHYZCLRCNQK-FQEVSTJZSA-N 2 1 390.918 3.986 20 0 GHADMP Clc1ccc(-c2nccnc2C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222609799 1030234680 /nfs/dbraw/zinc/23/46/80/1030234680.db2.gz RGQWHYZCLRCNQK-FQEVSTJZSA-N 2 1 390.918 3.986 20 0 GHADMP FC(F)(F)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222630089 1030250592 /nfs/dbraw/zinc/25/05/92/1030250592.db2.gz YMGKKUILUCETRU-TXEJJXNPSA-N 2 1 393.247 3.779 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC001222665315 1030268223 /nfs/dbraw/zinc/26/82/23/1030268223.db2.gz BUQCPFXZAHZCNC-UEVCKROQSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001222665315 1030268235 /nfs/dbraw/zinc/26/82/35/1030268235.db2.gz BUQCPFXZAHZCNC-UEVCKROQSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001222665315 1030268246 /nfs/dbraw/zinc/26/82/46/1030268246.db2.gz BUQCPFXZAHZCNC-UEVCKROQSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@]([NH3+])(Cc1ccc(F)cc1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217734908 1030635863 /nfs/dbraw/zinc/63/58/63/1030635863.db2.gz VBTBLVYDINRHHI-AVRDEDQJSA-N 2 1 380.467 3.615 20 0 GHADMP C[C@@H]([C@H](OCCC[C@H]([NH3+])C(=O)OC(C)(C)C)c1ccccc1)[NH+]1CCCC1 ZINC001217825845 1030658611 /nfs/dbraw/zinc/65/86/11/1030658611.db2.gz XTKJPYGDYAXHQT-IHPCNDPISA-N 2 1 376.541 3.678 20 0 GHADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(-c2ccsc2)cs1 ZINC001276906371 1030668752 /nfs/dbraw/zinc/66/87/52/1030668752.db2.gz HMGUWZYQZCBKRA-RTBURBONSA-N 2 1 389.590 3.604 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001217967647 1030694334 /nfs/dbraw/zinc/69/43/34/1030694334.db2.gz SJSDWWAXLCTZPU-BULFRSBZSA-N 2 1 382.504 3.539 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(O[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001218178914 1030810120 /nfs/dbraw/zinc/81/01/20/1030810120.db2.gz WGVSITIJUPARRC-DEOSSOPVSA-N 2 1 379.548 3.653 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001218178914 1030810143 /nfs/dbraw/zinc/81/01/43/1030810143.db2.gz WGVSITIJUPARRC-DEOSSOPVSA-N 3 1 379.548 3.653 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001218178914 1030810164 /nfs/dbraw/zinc/81/01/64/1030810164.db2.gz WGVSITIJUPARRC-DEOSSOPVSA-N 3 1 379.548 3.653 20 0 GHADMP C[C@H](O[C@@H](CC[NH+](C)C)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224132647 1030897609 /nfs/dbraw/zinc/89/76/09/1030897609.db2.gz FFZQLWCBDUFUAG-OYDLWJJNSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@H](O[C@@H](CC[NH+](C)C)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224132647 1030897633 /nfs/dbraw/zinc/89/76/33/1030897633.db2.gz FFZQLWCBDUFUAG-OYDLWJJNSA-N 2 1 382.548 3.986 20 0 GHADMP Cc1nc2c(c(O[C@H]3C[NH2+]Cc4ccccc43)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001218485858 1030957911 /nfs/dbraw/zinc/95/79/11/1030957911.db2.gz BVMHENJUQKWAEU-QHCPKHFHSA-N 2 1 386.499 3.567 20 0 GHADMP Cc1nc2c(c(O[C@H]3C[NH2+]Cc4ccccc43)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001218485858 1030957912 /nfs/dbraw/zinc/95/79/12/1030957912.db2.gz BVMHENJUQKWAEU-QHCPKHFHSA-N 2 1 386.499 3.567 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001224564014 1031048468 /nfs/dbraw/zinc/04/84/68/1031048468.db2.gz QDZCIRRJQKIBNW-FGZHOGPDSA-N 2 1 392.632 3.650 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001224736156 1031095494 /nfs/dbraw/zinc/09/54/94/1031095494.db2.gz VONGDELYEBYISW-FQEVSTJZSA-N 2 1 380.621 3.795 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]([NH3+])Cc1cccc(O)c1)C1CCCCC1 ZINC001219023597 1031217439 /nfs/dbraw/zinc/21/74/39/1031217439.db2.gz GPCFMEKUQXWNKF-OAQYLSRUSA-N 2 1 381.520 3.665 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)C1CCCCC1 ZINC001219023852 1031218641 /nfs/dbraw/zinc/21/86/41/1031218641.db2.gz LMXSVXHBFVECIT-YKSBVNFPSA-N 2 1 399.579 3.938 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1 ZINC001219027829 1031220148 /nfs/dbraw/zinc/22/01/48/1031220148.db2.gz DRXWFUNWLGQTDL-QFIPXVFZSA-N 2 1 381.520 3.970 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)Nc2ccnc(C[NH+](C)C)c2)c2ccccc2)CC1 ZINC001219713452 1031573287 /nfs/dbraw/zinc/57/32/87/1031573287.db2.gz SVMSDMYNEXDQDW-JOCHJYFZSA-N 2 1 395.551 3.738 20 0 GHADMP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[NH+](C)Cc1ccccc1 ZINC001153718654 1031721065 /nfs/dbraw/zinc/72/10/65/1031721065.db2.gz CLLLSNRWRATTAQ-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C[NH+](C)Cc1ccccc1 ZINC001153718654 1031721069 /nfs/dbraw/zinc/72/10/69/1031721069.db2.gz CLLLSNRWRATTAQ-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001153718654 1031721077 /nfs/dbraw/zinc/72/10/77/1031721077.db2.gz CLLLSNRWRATTAQ-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153718654 1031721083 /nfs/dbraw/zinc/72/10/83/1031721083.db2.gz CLLLSNRWRATTAQ-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001220162123 1031809970 /nfs/dbraw/zinc/80/99/70/1031809970.db2.gz HRNGPYPHBYTGKK-UZKOGDIHSA-N 2 1 389.971 3.591 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC[NH+]1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001220633368 1032032533 /nfs/dbraw/zinc/03/25/33/1032032533.db2.gz DFVDJSNBJFKAEJ-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001220633368 1032032545 /nfs/dbraw/zinc/03/25/45/1032032545.db2.gz DFVDJSNBJFKAEJ-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001220633368 1032032556 /nfs/dbraw/zinc/03/25/56/1032032556.db2.gz DFVDJSNBJFKAEJ-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)c2n1 ZINC001205281193 1033339956 /nfs/dbraw/zinc/33/99/56/1033339956.db2.gz RAFGSSFEUZGACC-GOSISDBHSA-N 2 1 378.314 3.709 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c2n1 ZINC001205281193 1033339970 /nfs/dbraw/zinc/33/99/70/1033339970.db2.gz RAFGSSFEUZGACC-GOSISDBHSA-N 2 1 378.314 3.709 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]([N@@H+](C)C(C)C)C3)c2c1C ZINC001157018952 1033372770 /nfs/dbraw/zinc/37/27/70/1033372770.db2.gz BKNBVUIESPAZQN-QGZVFWFLSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]([N@H+](C)C(C)C)C3)c2c1C ZINC001157018952 1033372787 /nfs/dbraw/zinc/37/27/87/1033372787.db2.gz BKNBVUIESPAZQN-QGZVFWFLSA-N 2 1 387.597 3.823 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)CC[C@H]1C[NH3+] ZINC001205618151 1033493815 /nfs/dbraw/zinc/49/38/15/1033493815.db2.gz SDFZLAMNKRUFJB-OLZOCXBDSA-N 2 1 386.487 3.974 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)CC[C@@H]1C[NH3+] ZINC001205618152 1033494048 /nfs/dbraw/zinc/49/40/48/1033494048.db2.gz SDFZLAMNKRUFJB-QWHCGFSZSA-N 2 1 386.487 3.974 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205789081 1033572958 /nfs/dbraw/zinc/57/29/58/1033572958.db2.gz VLLYDNFWHXHICR-QGZVFWFLSA-N 2 1 375.463 3.879 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cc1 ZINC001205789081 1033572966 /nfs/dbraw/zinc/57/29/66/1033572966.db2.gz VLLYDNFWHXHICR-QGZVFWFLSA-N 2 1 375.463 3.879 20 0 GHADMP CCN(C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC001229619346 1033596880 /nfs/dbraw/zinc/59/68/80/1033596880.db2.gz FQJTUAYCQHOEDL-YADHBBJMSA-N 2 1 388.600 3.614 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206004900 1033680433 /nfs/dbraw/zinc/68/04/33/1033680433.db2.gz VRLYQAYEZSTPNJ-RTBURBONSA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206004900 1033680442 /nfs/dbraw/zinc/68/04/42/1033680442.db2.gz VRLYQAYEZSTPNJ-RTBURBONSA-N 2 1 386.561 3.635 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1C ZINC001206023261 1033691477 /nfs/dbraw/zinc/69/14/77/1033691477.db2.gz FDGRTRYBZBWMGP-CABCVRRESA-N 2 1 386.321 3.715 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](c3ccccc3)[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157616645 1033693235 /nfs/dbraw/zinc/69/32/35/1033693235.db2.gz WJPLYRPRPKBXBH-SHBJFUFKSA-N 2 1 391.559 3.849 20 0 GHADMP CCc1nc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cc(C)[nH+]1 ZINC001157665428 1033709813 /nfs/dbraw/zinc/70/98/13/1033709813.db2.gz NMPIHPKZVZFDHW-UHFFFAOYSA-N 2 1 394.563 3.997 20 0 GHADMP C[C@@H](CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC001229793698 1033719445 /nfs/dbraw/zinc/71/94/45/1033719445.db2.gz MIKVZPXFRZNNHB-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC001229793698 1033719462 /nfs/dbraw/zinc/71/94/62/1033719462.db2.gz MIKVZPXFRZNNHB-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC001229793698 1033719481 /nfs/dbraw/zinc/71/94/81/1033719481.db2.gz MIKVZPXFRZNNHB-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206212494 1033766659 /nfs/dbraw/zinc/76/66/59/1033766659.db2.gz RUOVOGAZPITASJ-RTBURBONSA-N 2 1 376.447 3.771 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206212494 1033766679 /nfs/dbraw/zinc/76/66/79/1033766679.db2.gz RUOVOGAZPITASJ-RTBURBONSA-N 2 1 376.447 3.771 20 0 GHADMP Cc1nc2c(c(OC3CC[NH+](C(C)(C)C)CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229897863 1033779265 /nfs/dbraw/zinc/77/92/65/1033779265.db2.gz KHYWYXFUSPNIPK-UHFFFAOYSA-N 2 1 394.563 3.985 20 0 GHADMP Cc1nc2c(c(OC3CC[NH+](C(C)(C)C)CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229897863 1033779280 /nfs/dbraw/zinc/77/92/80/1033779280.db2.gz KHYWYXFUSPNIPK-UHFFFAOYSA-N 2 1 394.563 3.985 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)ccc1OC(=O)c1cccs1 ZINC001206305448 1033788325 /nfs/dbraw/zinc/78/83/25/1033788325.db2.gz ZNZAYRCMUFFGNG-OAQYLSRUSA-N 2 1 388.533 3.927 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(Br)ccnc2Br)CC1 ZINC001206318264 1033794231 /nfs/dbraw/zinc/79/42/31/1033794231.db2.gz OPWWYOKCWZNVHP-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)ccnc2Br)CC1 ZINC001206318264 1033794249 /nfs/dbraw/zinc/79/42/49/1033794249.db2.gz OPWWYOKCWZNVHP-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(I)ccc2Cl)CC1 ZINC001206338333 1033802023 /nfs/dbraw/zinc/80/20/23/1033802023.db2.gz ZYCHAEWVIMKKGS-HNNXBMFYSA-N 2 1 392.712 3.896 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccccc3Cl)O2)CC1 ZINC001203380360 1033814136 /nfs/dbraw/zinc/81/41/36/1033814136.db2.gz YUQXSFUSXVIPCT-CEMLEFRQSA-N 2 1 392.971 3.820 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001230020481 1033852711 /nfs/dbraw/zinc/85/27/11/1033852711.db2.gz IXRSIFRZBIQMGD-DYQZNNLLSA-N 2 1 388.600 3.563 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C(C)C)[C@@H]2CC[NH2+]C2)n1 ZINC001158032745 1033873740 /nfs/dbraw/zinc/87/37/40/1033873740.db2.gz LEIYFCGQSVDEJV-MRXNPFEDSA-N 2 1 375.586 3.727 20 0 GHADMP COc1ccc(CN2CCOCC2)cc1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001206503156 1033877492 /nfs/dbraw/zinc/87/74/92/1033877492.db2.gz QFDJBLQNTUVOHM-JOCHJYFZSA-N 2 1 381.520 3.746 20 0 GHADMP COc1cc(OC)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1Br ZINC001206591329 1033917719 /nfs/dbraw/zinc/91/77/19/1033917719.db2.gz RRCAAUORTCKWCL-HNNXBMFYSA-N 2 1 385.346 3.819 20 0 GHADMP CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206716886 1033955948 /nfs/dbraw/zinc/95/59/48/1033955948.db2.gz JGKACNBTKDUINR-UHFFFAOYSA-N 2 1 392.543 3.642 20 0 GHADMP COC1(c2ccccc2)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206723158 1033958307 /nfs/dbraw/zinc/95/83/07/1033958307.db2.gz VXCWGOIONFUMRR-UHFFFAOYSA-N 2 1 380.532 3.657 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001206745030 1033966326 /nfs/dbraw/zinc/96/63/26/1033966326.db2.gz NLUVVHHDBGVXIR-QHCPKHFHSA-N 3 1 377.576 3.891 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001206745030 1033966328 /nfs/dbraw/zinc/96/63/28/1033966328.db2.gz NLUVVHHDBGVXIR-QHCPKHFHSA-N 2 1 377.576 3.891 20 0 GHADMP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001206771730 1033977728 /nfs/dbraw/zinc/97/77/28/1033977728.db2.gz XMCVWRUOECTGNW-GGAORHGYSA-N 3 1 392.591 3.568 20 0 GHADMP Fc1cnccc1C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001206787961 1033984136 /nfs/dbraw/zinc/98/41/36/1033984136.db2.gz RECKMKSHYLOHEJ-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206812542 1033994822 /nfs/dbraw/zinc/99/48/22/1033994822.db2.gz ZJNITYBTMVZHCE-MJGOQNOKSA-N 2 1 382.504 3.611 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1c(F)cncc1F)CC2 ZINC001206858947 1034038478 /nfs/dbraw/zinc/03/84/78/1034038478.db2.gz WABROPSLDYVVBZ-UHFFFAOYSA-N 2 1 376.451 3.595 20 0 GHADMP CC[N@H+]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C(C)(C)C1 ZINC001158569319 1034157404 /nfs/dbraw/zinc/15/74/04/1034157404.db2.gz ICKGNHUPKCGJBZ-UHFFFAOYSA-N 2 1 384.902 3.577 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001230642334 1034158391 /nfs/dbraw/zinc/15/83/91/1034158391.db2.gz CYINPSIKTRACAZ-FCHUYYIVSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001230642334 1034158402 /nfs/dbraw/zinc/15/84/02/1034158402.db2.gz CYINPSIKTRACAZ-FCHUYYIVSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001230642334 1034158408 /nfs/dbraw/zinc/15/84/08/1034158408.db2.gz CYINPSIKTRACAZ-FCHUYYIVSA-N 2 1 392.632 3.698 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207286843 1034238293 /nfs/dbraw/zinc/23/82/93/1034238293.db2.gz NOJAJSMZPUZZBK-UHFFFAOYSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289691 1034240371 /nfs/dbraw/zinc/24/03/71/1034240371.db2.gz WDOOHJUNWOGHDI-OYRHEFFESA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291323 1034241876 /nfs/dbraw/zinc/24/18/76/1034241876.db2.gz NPCGZBZTYQGWSJ-XMMPIXPASA-N 2 1 383.580 3.622 20 0 GHADMP C[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207374188 1034317269 /nfs/dbraw/zinc/31/72/69/1034317269.db2.gz FNXAVMWEOFFFLF-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207374188 1034317293 /nfs/dbraw/zinc/31/72/93/1034317293.db2.gz FNXAVMWEOFFFLF-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207374188 1034317302 /nfs/dbraw/zinc/31/73/02/1034317302.db2.gz FNXAVMWEOFFFLF-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC001461896733 1069851868 /nfs/dbraw/zinc/85/18/68/1069851868.db2.gz KGKOOYHLEIHCQU-IBGZPJMESA-N 2 1 375.557 3.752 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC001461896733 1069851892 /nfs/dbraw/zinc/85/18/92/1069851892.db2.gz KGKOOYHLEIHCQU-IBGZPJMESA-N 2 1 375.557 3.752 20 0 GHADMP Fc1ccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001207513960 1034420893 /nfs/dbraw/zinc/42/08/93/1034420893.db2.gz SUDCNKRIBOHYFA-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001207513960 1034420898 /nfs/dbraw/zinc/42/08/98/1034420898.db2.gz SUDCNKRIBOHYFA-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001207513960 1034420904 /nfs/dbraw/zinc/42/09/04/1034420904.db2.gz SUDCNKRIBOHYFA-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001207640784 1034504414 /nfs/dbraw/zinc/50/44/14/1034504414.db2.gz SLFLRUFIGLAYAO-FQEVSTJZSA-N 2 1 392.584 3.914 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001207640784 1034504426 /nfs/dbraw/zinc/50/44/26/1034504426.db2.gz SLFLRUFIGLAYAO-FQEVSTJZSA-N 2 1 392.584 3.914 20 0 GHADMP CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6CC[N@@H+](C)C6)cc54)O[C@H](C[NH+]3C1)C2 ZINC001231317079 1034513581 /nfs/dbraw/zinc/51/35/81/1034513581.db2.gz JPPKICPSJZQYPL-ALQCLRNSSA-N 2 1 393.531 3.632 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC4CN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207761914 1034562110 /nfs/dbraw/zinc/56/21/10/1034562110.db2.gz MTGAINJZPDMWSB-SZPZYZBQSA-N 2 1 399.579 3.616 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207761914 1034562124 /nfs/dbraw/zinc/56/21/24/1034562124.db2.gz MTGAINJZPDMWSB-SZPZYZBQSA-N 2 1 399.579 3.616 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCC4CN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207761914 1034562135 /nfs/dbraw/zinc/56/21/35/1034562135.db2.gz MTGAINJZPDMWSB-SZPZYZBQSA-N 2 1 399.579 3.616 20 0 GHADMP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207768539 1034564838 /nfs/dbraw/zinc/56/48/38/1034564838.db2.gz ICXRTMSTQHRJHH-SBFWRKJZSA-N 2 1 386.580 3.708 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001207776219 1034571913 /nfs/dbraw/zinc/57/19/13/1034571913.db2.gz CDODNWIZTVOFMF-DKUWSORSSA-N 2 1 399.579 3.696 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCc1c(F)cccc1F)CC2 ZINC001208115326 1034742036 /nfs/dbraw/zinc/74/20/36/1034742036.db2.gz MHFRRMGXFVQSIE-QGZVFWFLSA-N 2 1 390.474 3.856 20 0 GHADMP COc1cc(F)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001231603162 1034760177 /nfs/dbraw/zinc/76/01/77/1034760177.db2.gz YBCNEXYTLQKFRZ-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP Fc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)ccc1OCC1CC[NH2+]CC1 ZINC001159881514 1034772706 /nfs/dbraw/zinc/77/27/06/1034772706.db2.gz ZUKQVFVGVKYZJB-UHFFFAOYSA-N 2 1 399.510 3.780 20 0 GHADMP CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001208179695 1034777542 /nfs/dbraw/zinc/77/75/42/1034777542.db2.gz ZZLRPBOWIXCZOE-GMAHTHKFSA-N 2 1 383.580 3.988 20 0 GHADMP Fc1cccc(CC[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001208197353 1034791626 /nfs/dbraw/zinc/79/16/26/1034791626.db2.gz PDRMPIADIGSYLT-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1cccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001208197353 1034791638 /nfs/dbraw/zinc/79/16/38/1034791638.db2.gz PDRMPIADIGSYLT-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1cccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001208197353 1034791650 /nfs/dbraw/zinc/79/16/50/1034791650.db2.gz PDRMPIADIGSYLT-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1cccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001208197353 1034791665 /nfs/dbraw/zinc/79/16/65/1034791665.db2.gz PDRMPIADIGSYLT-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001231738447 1034872227 /nfs/dbraw/zinc/87/22/27/1034872227.db2.gz YSIPSIZDXLHJPV-XZOQPEGZSA-N 2 1 381.564 3.837 20 0 GHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001231786850 1034909448 /nfs/dbraw/zinc/90/94/48/1034909448.db2.gz AJLSKIUBZKXAKF-JWQCQUIFSA-N 2 1 399.623 3.646 20 0 GHADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001231786850 1034909453 /nfs/dbraw/zinc/90/94/53/1034909453.db2.gz AJLSKIUBZKXAKF-JWQCQUIFSA-N 2 1 399.623 3.646 20 0 GHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001231786850 1034909455 /nfs/dbraw/zinc/90/94/55/1034909455.db2.gz AJLSKIUBZKXAKF-JWQCQUIFSA-N 2 1 399.623 3.646 20 0 GHADMP CCN(CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578505 1034938682 /nfs/dbraw/zinc/93/86/82/1034938682.db2.gz BEGGNINENPGZTF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CCN(CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578505 1034938689 /nfs/dbraw/zinc/93/86/89/1034938689.db2.gz BEGGNINENPGZTF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CCN(CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578505 1034938694 /nfs/dbraw/zinc/93/86/94/1034938694.db2.gz BEGGNINENPGZTF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CCN(CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578505 1034938697 /nfs/dbraw/zinc/93/86/97/1034938697.db2.gz BEGGNINENPGZTF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC1 ZINC001208593660 1034949316 /nfs/dbraw/zinc/94/93/16/1034949316.db2.gz YSAYJUDLYMKAFA-QUCCMNQESA-N 2 1 382.527 3.530 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(Nc3ccc(C[NH3+])nc3)c2c1C ZINC001160402031 1034964913 /nfs/dbraw/zinc/96/49/13/1034964913.db2.gz GZWIVQKOEHZLRF-UHFFFAOYSA-N 2 1 382.537 3.891 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231971151 1035017057 /nfs/dbraw/zinc/01/70/57/1035017057.db2.gz OYLIRWHEYGRVIR-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160680804 1035033234 /nfs/dbraw/zinc/03/32/34/1035033234.db2.gz VTXIXFXWFXBMSS-TUACAJSNSA-N 2 1 391.559 3.678 20 0 GHADMP COc1ccccc1CCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001208836971 1035050492 /nfs/dbraw/zinc/05/04/92/1035050492.db2.gz LLZJCNQYQDEEAV-UHFFFAOYSA-N 2 1 394.559 3.995 20 0 GHADMP CCOC(=O)c1ccc(CCC[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001208865823 1035067184 /nfs/dbraw/zinc/06/71/84/1035067184.db2.gz GODJOQOUIUGVME-UHFFFAOYSA-N 2 1 381.520 3.738 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ccncc3[nH]1)CC2 ZINC001232095103 1035091978 /nfs/dbraw/zinc/09/19/78/1035091978.db2.gz VXZPDBGSDOXHTI-LJQANCHMSA-N 2 1 396.560 3.880 20 0 GHADMP CN(CC[N@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208931226 1035095800 /nfs/dbraw/zinc/09/58/00/1035095800.db2.gz ILKSHHZWZDBXTP-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CC[N@@H+](C)C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208931226 1035095808 /nfs/dbraw/zinc/09/58/08/1035095808.db2.gz ILKSHHZWZDBXTP-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CC[NH+](C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208931226 1035095815 /nfs/dbraw/zinc/09/58/15/1035095815.db2.gz ILKSHHZWZDBXTP-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CC[NH+](C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208931226 1035095818 /nfs/dbraw/zinc/09/58/18/1035095818.db2.gz ILKSHHZWZDBXTP-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934044 1035098237 /nfs/dbraw/zinc/09/82/37/1035098237.db2.gz XUVMGPIBPOAHMD-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934044 1035098247 /nfs/dbraw/zinc/09/82/47/1035098247.db2.gz XUVMGPIBPOAHMD-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934044 1035098257 /nfs/dbraw/zinc/09/82/57/1035098257.db2.gz XUVMGPIBPOAHMD-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP COc1ccc(-c2c(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnn2C)cc1 ZINC001232114488 1035103633 /nfs/dbraw/zinc/10/36/33/1035103633.db2.gz ZYIJVZWPTQEDLQ-NRFANRHFSA-N 2 1 382.552 3.936 20 0 GHADMP COc1ccc(-c2c(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cnn2C)cc1 ZINC001232114488 1035103638 /nfs/dbraw/zinc/10/36/38/1035103638.db2.gz ZYIJVZWPTQEDLQ-NRFANRHFSA-N 2 1 382.552 3.936 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+](Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937201 1035104807 /nfs/dbraw/zinc/10/48/07/1035104807.db2.gz RNJNVIOXIOYPLX-QHCPKHFHSA-N 2 1 379.548 3.975 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+](Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937201 1035104811 /nfs/dbraw/zinc/10/48/11/1035104811.db2.gz RNJNVIOXIOYPLX-QHCPKHFHSA-N 2 1 379.548 3.975 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](C[N@H+](Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937201 1035104817 /nfs/dbraw/zinc/10/48/17/1035104817.db2.gz RNJNVIOXIOYPLX-QHCPKHFHSA-N 2 1 379.548 3.975 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+](Cc3cccnc3)C3CCOCC3)C2)cc1 ZINC001208937201 1035104820 /nfs/dbraw/zinc/10/48/20/1035104820.db2.gz RNJNVIOXIOYPLX-QHCPKHFHSA-N 2 1 379.548 3.975 20 0 GHADMP CC(C)(C)OC(=O)N1CCC12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208940386 1035109843 /nfs/dbraw/zinc/10/98/43/1035109843.db2.gz CEKQYWZUTRKBDW-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208949840 1035120460 /nfs/dbraw/zinc/12/04/60/1035120460.db2.gz YHZYRZRJHSYOTI-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208949840 1035120465 /nfs/dbraw/zinc/12/04/65/1035120465.db2.gz YHZYRZRJHSYOTI-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208949840 1035120472 /nfs/dbraw/zinc/12/04/72/1035120472.db2.gz YHZYRZRJHSYOTI-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208949840 1035120478 /nfs/dbraw/zinc/12/04/78/1035120478.db2.gz YHZYRZRJHSYOTI-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232143548 1035120775 /nfs/dbraw/zinc/12/07/75/1035120775.db2.gz AQSOODZFRCAMRX-INIZCTEOSA-N 2 1 379.520 3.719 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232143548 1035120783 /nfs/dbraw/zinc/12/07/83/1035120783.db2.gz AQSOODZFRCAMRX-INIZCTEOSA-N 2 1 379.520 3.719 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001232144988 1035121447 /nfs/dbraw/zinc/12/14/47/1035121447.db2.gz QUTVQLCDWWKFFY-JOCHJYFZSA-N 2 1 391.531 3.863 20 0 GHADMP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951257 1035122355 /nfs/dbraw/zinc/12/23/55/1035122355.db2.gz ATARSAIWQYASIT-FQEVSTJZSA-N 2 1 375.557 3.744 20 0 GHADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951257 1035122357 /nfs/dbraw/zinc/12/23/57/1035122357.db2.gz ATARSAIWQYASIT-FQEVSTJZSA-N 2 1 375.557 3.744 20 0 GHADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951257 1035122360 /nfs/dbraw/zinc/12/23/60/1035122360.db2.gz ATARSAIWQYASIT-FQEVSTJZSA-N 2 1 375.557 3.744 20 0 GHADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951257 1035122364 /nfs/dbraw/zinc/12/23/64/1035122364.db2.gz ATARSAIWQYASIT-FQEVSTJZSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001232145177 1035123189 /nfs/dbraw/zinc/12/31/89/1035123189.db2.gz XATGSZVYATTYGZ-LPHOPBHVSA-N 2 1 393.547 3.870 20 0 GHADMP CC[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953514 1035125636 /nfs/dbraw/zinc/12/56/36/1035125636.db2.gz QMWOOOGCXPFWDT-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953514 1035125638 /nfs/dbraw/zinc/12/56/38/1035125638.db2.gz QMWOOOGCXPFWDT-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953514 1035125641 /nfs/dbraw/zinc/12/56/41/1035125641.db2.gz QMWOOOGCXPFWDT-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953514 1035125644 /nfs/dbraw/zinc/12/56/44/1035125644.db2.gz QMWOOOGCXPFWDT-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953969 1035126768 /nfs/dbraw/zinc/12/67/68/1035126768.db2.gz RYZRMPQBWPYTFF-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208953969 1035126772 /nfs/dbraw/zinc/12/67/72/1035126772.db2.gz RYZRMPQBWPYTFF-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208953969 1035126778 /nfs/dbraw/zinc/12/67/78/1035126778.db2.gz RYZRMPQBWPYTFF-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953661 1035127093 /nfs/dbraw/zinc/12/70/93/1035127093.db2.gz RQHOCLLWCWFKMJ-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208953661 1035127099 /nfs/dbraw/zinc/12/70/99/1035127099.db2.gz RQHOCLLWCWFKMJ-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208953661 1035127105 /nfs/dbraw/zinc/12/71/05/1035127105.db2.gz RQHOCLLWCWFKMJ-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208953661 1035127113 /nfs/dbraw/zinc/12/71/13/1035127113.db2.gz RQHOCLLWCWFKMJ-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232149075 1035127615 /nfs/dbraw/zinc/12/76/15/1035127615.db2.gz TUBGDXFXMSXKAB-GOSISDBHSA-N 2 1 391.531 3.576 20 0 GHADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958536 1035129148 /nfs/dbraw/zinc/12/91/48/1035129148.db2.gz PSYWAXLSMNJOBX-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958536 1035129156 /nfs/dbraw/zinc/12/91/56/1035129156.db2.gz PSYWAXLSMNJOBX-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958536 1035129160 /nfs/dbraw/zinc/12/91/60/1035129160.db2.gz PSYWAXLSMNJOBX-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958536 1035129169 /nfs/dbraw/zinc/12/91/69/1035129169.db2.gz PSYWAXLSMNJOBX-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CCN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)[C@H]3C2)cc1 ZINC001208960163 1035131810 /nfs/dbraw/zinc/13/18/10/1035131810.db2.gz USRRMYFILXTILA-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001208960163 1035131811 /nfs/dbraw/zinc/13/18/11/1035131811.db2.gz USRRMYFILXTILA-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001208960163 1035131813 /nfs/dbraw/zinc/13/18/13/1035131813.db2.gz USRRMYFILXTILA-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP O=C1c2ccccc2CN1C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208960122 1035131904 /nfs/dbraw/zinc/13/19/04/1035131904.db2.gz UGVLTWHSYLLEHU-OAQYLSRUSA-N 2 1 389.543 3.629 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001209010394 1035149536 /nfs/dbraw/zinc/14/95/36/1035149536.db2.gz ALJWNSVYNLQXKV-SSGKUCQKSA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001209010394 1035149546 /nfs/dbraw/zinc/14/95/46/1035149546.db2.gz ALJWNSVYNLQXKV-SSGKUCQKSA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001209010394 1035149553 /nfs/dbraw/zinc/14/95/53/1035149553.db2.gz ALJWNSVYNLQXKV-SSGKUCQKSA-N 2 1 384.564 3.810 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H](CC[NH+]2CCC(C)([NH+]3CCCC3)CC2)COC1(C)C ZINC001209015626 1035151436 /nfs/dbraw/zinc/15/14/36/1035151436.db2.gz OVIWMMCVMRGRSO-SFHVURJKSA-N 2 1 395.588 3.699 20 0 GHADMP O=C(OCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1)c1ccccc1 ZINC001209044107 1035157004 /nfs/dbraw/zinc/15/70/04/1035157004.db2.gz YFFWWSCSBZVLSG-UHFFFAOYSA-N 2 1 384.545 3.893 20 0 GHADMP O=C(OCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001209048506 1035157382 /nfs/dbraw/zinc/15/73/82/1035157382.db2.gz XEZBROVHPBUPLM-GOTSBHOMSA-N 2 1 378.516 3.687 20 0 GHADMP O=C(OCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001209048506 1035157386 /nfs/dbraw/zinc/15/73/86/1035157386.db2.gz XEZBROVHPBUPLM-GOTSBHOMSA-N 2 1 378.516 3.687 20 0 GHADMP O=C(OCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001209048506 1035157390 /nfs/dbraw/zinc/15/73/90/1035157390.db2.gz XEZBROVHPBUPLM-GOTSBHOMSA-N 2 1 378.516 3.687 20 0 GHADMP Fc1cccc2c(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)ccnc12 ZINC001232207694 1035162293 /nfs/dbraw/zinc/16/22/93/1035162293.db2.gz GRBHZKPXJGFMLV-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP Fc1cccc2c(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)ccnc12 ZINC001232207694 1035162295 /nfs/dbraw/zinc/16/22/95/1035162295.db2.gz GRBHZKPXJGFMLV-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP Fc1cccc2c(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)ccnc12 ZINC001232207694 1035162300 /nfs/dbraw/zinc/16/23/00/1035162300.db2.gz GRBHZKPXJGFMLV-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP Fc1cccc2c(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)ccnc12 ZINC001232207694 1035162303 /nfs/dbraw/zinc/16/23/03/1035162303.db2.gz GRBHZKPXJGFMLV-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP Fc1ccccc1C[NH+]1CCC(CNc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001161194246 1035175693 /nfs/dbraw/zinc/17/56/93/1035175693.db2.gz POHRAXZEIOZJSH-UHFFFAOYSA-N 2 1 383.515 3.930 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209150752 1035193946 /nfs/dbraw/zinc/19/39/46/1035193946.db2.gz BYYCAXSBQOLTTQ-UHFFFAOYSA-N 2 1 394.581 3.537 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3ncc4c(n3)CC[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458568 1035235616 /nfs/dbraw/zinc/23/56/16/1035235616.db2.gz VHSBONQOSMVTIV-VWNXMTODSA-N 2 1 399.542 3.593 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359096 1035252447 /nfs/dbraw/zinc/25/24/47/1035252447.db2.gz RZKVUIFSQOTCKI-HXUWFJFHSA-N 2 1 397.604 3.647 20 0 GHADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209359096 1035252453 /nfs/dbraw/zinc/25/24/53/1035252453.db2.gz RZKVUIFSQOTCKI-HXUWFJFHSA-N 2 1 397.604 3.647 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209648276 1035342363 /nfs/dbraw/zinc/34/23/63/1035342363.db2.gz SLYBHLVMHCDCRQ-UHFFFAOYSA-N 2 1 375.520 3.526 20 0 GHADMP c1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)COC3(CC[NH2+]CC3)O4)CC2)cc1 ZINC001241504710 1035598475 /nfs/dbraw/zinc/59/84/75/1035598475.db2.gz YUSILIAKLOTURA-UHFFFAOYSA-N 2 1 376.500 3.965 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccc4nc(C)ccc34)CC2)C1 ZINC001248555983 1035953154 /nfs/dbraw/zinc/95/31/54/1035953154.db2.gz JQIZOYVYRLXOEW-HXUWFJFHSA-N 2 1 395.547 3.783 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4nc(C)ccc34)CC2)C1 ZINC001248555983 1035953160 /nfs/dbraw/zinc/95/31/60/1035953160.db2.gz JQIZOYVYRLXOEW-HXUWFJFHSA-N 2 1 395.547 3.783 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(-c3cccc(N4CC[NH+](C)CC4)c3)c2c1C ZINC001243667465 1036243946 /nfs/dbraw/zinc/24/39/46/1036243946.db2.gz QLAXSXLILMYJKU-UHFFFAOYSA-N 2 1 395.576 3.789 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1(c2ccccc2F)CCC(F)(F)CC1 ZINC001246002109 1037121318 /nfs/dbraw/zinc/12/13/18/1037121318.db2.gz UMXBIBUFOHXEAG-VQTJNVASSA-N 2 1 392.465 3.751 20 0 GHADMP C[C@](O)(C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1)c1ccccc1 ZINC001246003928 1037122975 /nfs/dbraw/zinc/12/29/75/1037122975.db2.gz GRIDMJAQJVLICJ-IBGZPJMESA-N 2 1 378.438 3.781 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246038025 1037154047 /nfs/dbraw/zinc/15/40/47/1037154047.db2.gz UHMCIFCDPXNZLC-GNLZIIPMSA-N 2 1 388.596 3.659 20 0 GHADMP O[C@@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC001246040869 1037155086 /nfs/dbraw/zinc/15/50/86/1037155086.db2.gz WCAMQBWEKGZWNO-SMIHKQSGSA-N 2 1 378.560 3.891 20 0 GHADMP CSCCC[NH+]1CCC2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001278426968 1037162883 /nfs/dbraw/zinc/16/28/83/1037162883.db2.gz XFWCPTAWLLVRRV-UHFFFAOYSA-N 2 1 375.582 3.686 20 0 GHADMP [NH3+]C[C@@H]1CC[N@H+](C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246056828 1037171515 /nfs/dbraw/zinc/17/15/15/1037171515.db2.gz QNIPYCINNBLSIE-HXPMCKFVSA-N 2 1 377.315 3.879 20 0 GHADMP [NH3+]C[C@@H]1CC[N@@H+](C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246056828 1037171539 /nfs/dbraw/zinc/17/15/39/1037171539.db2.gz QNIPYCINNBLSIE-HXPMCKFVSA-N 2 1 377.315 3.879 20 0 GHADMP COc1ccccc1OC[C@H](O)C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067913 1037179624 /nfs/dbraw/zinc/17/96/24/1037179624.db2.gz QHMDAKZTESUMBB-NJDAHSKKSA-N 2 1 390.568 3.587 20 0 GHADMP CC(C)C[N@@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067287 1037179842 /nfs/dbraw/zinc/17/98/42/1037179842.db2.gz DBTIJHKVQWRNAI-ACRUOGEOSA-N 2 1 376.585 3.952 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1 ZINC001246070715 1037186371 /nfs/dbraw/zinc/18/63/71/1037186371.db2.gz UUIYJSRXWUZOOJ-OAQYLSRUSA-N 2 1 388.939 3.642 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1 ZINC001246070715 1037186379 /nfs/dbraw/zinc/18/63/79/1037186379.db2.gz UUIYJSRXWUZOOJ-OAQYLSRUSA-N 2 1 388.939 3.642 20 0 GHADMP CC1(C)C[C@@H](N[C@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)CC[NH2+]1 ZINC001246122527 1037201233 /nfs/dbraw/zinc/20/12/33/1037201233.db2.gz BDBXRPWQXHRDJV-YOEHRIQHSA-N 2 1 392.385 3.635 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC([NH2+][C@]34C[C@H]3C[NH2+]C4)CC2)cc1 ZINC001246134917 1037209146 /nfs/dbraw/zinc/20/91/46/1037209146.db2.gz PUYLREGIEDXVDT-AATYUJHQSA-N 3 1 375.560 3.952 20 0 GHADMP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001246255043 1037257426 /nfs/dbraw/zinc/25/74/26/1037257426.db2.gz BJIQABUICQLUNR-AABGKKOBSA-N 2 1 378.438 3.692 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246261428 1037261877 /nfs/dbraw/zinc/26/18/77/1037261877.db2.gz PRYGLMHQZHKAFP-NNWRFLSQSA-N 2 1 389.584 3.546 20 0 GHADMP COc1cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc2ccccc21 ZINC001246288686 1037278565 /nfs/dbraw/zinc/27/85/65/1037278565.db2.gz QAJYATCYUIVGAQ-BLIXFSHQSA-N 2 1 383.536 3.932 20 0 GHADMP Fc1ccccc1CC1([NH2+]C2CCN(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC001246381246 1037341362 /nfs/dbraw/zinc/34/13/62/1037341362.db2.gz NTFKXUPXDUWGDY-UHFFFAOYSA-N 2 1 381.539 3.745 20 0 GHADMP COc1ccccc1CC1(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246424655 1037382336 /nfs/dbraw/zinc/38/23/36/1037382336.db2.gz HEILAZUWJGJWRT-REWPJTCUSA-N 2 1 393.575 3.613 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246443331 1037405779 /nfs/dbraw/zinc/40/57/79/1037405779.db2.gz BOEYTVQIRFSRBD-GJZGRUSLSA-N 2 1 384.442 3.606 20 0 GHADMP FC(F)(F)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC1CCOCC1 ZINC001246442868 1037406211 /nfs/dbraw/zinc/40/62/11/1037406211.db2.gz VWFDWDBMYWXPOT-XYPWUTKMSA-N 2 1 384.442 3.636 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246499827 1037443646 /nfs/dbraw/zinc/44/36/46/1037443646.db2.gz GHAJTVYJUIQJTL-PBHICJAKSA-N 2 1 399.373 3.809 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246535852 1037470409 /nfs/dbraw/zinc/47/04/09/1037470409.db2.gz MPMAAUTXWSLQKF-CMWRNQAPSA-N 2 1 375.560 3.681 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCC[C@@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246610651 1037502274 /nfs/dbraw/zinc/50/22/74/1037502274.db2.gz QXFYDUPLVIRBIR-ZPFZUWPUSA-N 2 1 381.564 3.535 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC001246629039 1037515535 /nfs/dbraw/zinc/51/55/35/1037515535.db2.gz MUWUJIHSDOMDEO-DCEJCQMCSA-N 2 1 390.955 3.625 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1CN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001246659216 1037531302 /nfs/dbraw/zinc/53/13/02/1037531302.db2.gz WMWTWQJVTDFXNX-WHZJULEDSA-N 2 1 393.497 3.656 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001246659216 1037531319 /nfs/dbraw/zinc/53/13/19/1037531319.db2.gz WMWTWQJVTDFXNX-WHZJULEDSA-N 3 1 393.497 3.656 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001246659216 1037531335 /nfs/dbraw/zinc/53/13/35/1037531335.db2.gz WMWTWQJVTDFXNX-WHZJULEDSA-N 3 1 393.497 3.656 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001246659216 1037531349 /nfs/dbraw/zinc/53/13/49/1037531349.db2.gz WMWTWQJVTDFXNX-WHZJULEDSA-N 3 1 393.497 3.656 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001246659216 1037531371 /nfs/dbraw/zinc/53/13/71/1037531371.db2.gz WMWTWQJVTDFXNX-WHZJULEDSA-N 3 1 393.497 3.656 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CCC[C@]13C[NH2+]C[C@@H]3c1ccccc1)CC2 ZINC001246674951 1037538995 /nfs/dbraw/zinc/53/89/95/1037538995.db2.gz PGWKNANUCHGCJP-CGXDUYPBSA-N 2 1 382.548 3.720 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001246686614 1037547695 /nfs/dbraw/zinc/54/76/95/1037547695.db2.gz SACZNRPHLPBCMP-BFMBIBTESA-N 2 1 392.543 3.657 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)CC2 ZINC001246687102 1037548212 /nfs/dbraw/zinc/54/82/12/1037548212.db2.gz VABXQFHSVSEBHY-ASBIRJLZSA-N 2 1 396.575 3.752 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@H](CC)[NH2+]1 ZINC001246705813 1037557873 /nfs/dbraw/zinc/55/78/73/1037557873.db2.gz BCNHWSQZVACSEE-JYLXEMOASA-N 2 1 389.609 3.985 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@@H](CC)[NH2+]1 ZINC001246705810 1037558309 /nfs/dbraw/zinc/55/83/09/1037558309.db2.gz BCNHWSQZVACSEE-JBYIUTFZSA-N 2 1 389.609 3.985 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@@H+]([C@@H]1CCCC[NH2+]C1)C[C@H]2c1ccccc1 ZINC001246723850 1037574846 /nfs/dbraw/zinc/57/48/46/1037574846.db2.gz WTINZIKMAHSHGL-UNWVZKJWSA-N 2 1 395.572 3.713 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@H+]([C@@H]1CCCC[NH2+]C1)C[C@H]2c1ccccc1 ZINC001246723850 1037574854 /nfs/dbraw/zinc/57/48/54/1037574854.db2.gz WTINZIKMAHSHGL-UNWVZKJWSA-N 2 1 395.572 3.713 20 0 GHADMP CC[C@H]1[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724648 1037574945 /nfs/dbraw/zinc/57/49/45/1037574945.db2.gz WDYLTUNNVKCPDV-VAWZGJIGSA-N 2 1 375.601 3.799 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246725251 1037575409 /nfs/dbraw/zinc/57/54/09/1037575409.db2.gz ZOAJQJPBCLPEOE-CUYJMHBOSA-N 2 1 397.607 3.854 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CCC4(C2)CC[NH2+]CC4)C3)c1 ZINC001246727122 1037575462 /nfs/dbraw/zinc/57/54/62/1037575462.db2.gz UNJXSPGNNHUYDW-AKFKNWHVSA-N 2 1 383.580 3.931 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CC[NH2+]1 ZINC001246729148 1037577610 /nfs/dbraw/zinc/57/76/10/1037577610.db2.gz NNGXEJVJFHBIHD-GPXNEJASSA-N 2 1 383.580 3.730 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753318 1037593626 /nfs/dbraw/zinc/59/36/26/1037593626.db2.gz KMXRWFOOYYMHGF-BNDYYXHWSA-N 2 1 378.564 3.825 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246764392 1037608193 /nfs/dbraw/zinc/60/81/93/1037608193.db2.gz KEIDIMUNZDFFBS-QKZPVBNUSA-N 2 1 391.506 3.703 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@H](CC)[NH2+]1 ZINC001246766363 1037610809 /nfs/dbraw/zinc/61/08/09/1037610809.db2.gz AOYWUKBJYFHLAG-DNGCBJQESA-N 2 1 398.551 3.545 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@H](CC)[NH2+]1 ZINC001246766363 1037610829 /nfs/dbraw/zinc/61/08/29/1037610829.db2.gz AOYWUKBJYFHLAG-DNGCBJQESA-N 2 1 398.551 3.545 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246776529 1037619289 /nfs/dbraw/zinc/61/92/89/1037619289.db2.gz NZGFHAVZXHOCAC-GCJKJVERSA-N 3 1 384.955 3.933 20 0 GHADMP Clc1ccc(CO[C@@H]2CC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)c(Cl)c1 ZINC001246800461 1037636023 /nfs/dbraw/zinc/63/60/23/1037636023.db2.gz PZLLEEKNZOKCRJ-QPIRBTGLSA-N 2 1 399.362 3.886 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001246801038 1037636074 /nfs/dbraw/zinc/63/60/74/1037636074.db2.gz XZKRRQHAQSVPCJ-UHFFFAOYSA-N 2 1 380.374 3.739 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]1 ZINC001246826081 1037657953 /nfs/dbraw/zinc/65/79/53/1037657953.db2.gz VYKLTVVJVNSCKQ-HZPDHXFCSA-N 2 1 378.973 3.992 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)c1 ZINC001246838101 1037666514 /nfs/dbraw/zinc/66/65/14/1037666514.db2.gz AYCUNPCVLMIQNG-ZJSXRUAMSA-N 2 1 397.538 3.754 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001246839167 1037668872 /nfs/dbraw/zinc/66/88/72/1037668872.db2.gz BRQBNTMUWSDNMA-YLZJTPGZSA-N 2 1 378.944 3.625 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246846414 1037671266 /nfs/dbraw/zinc/67/12/66/1037671266.db2.gz GXVMFMKIVGGXJO-WZYRSQIMSA-N 2 1 377.532 3.603 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246846414 1037671275 /nfs/dbraw/zinc/67/12/75/1037671275.db2.gz GXVMFMKIVGGXJO-WZYRSQIMSA-N 2 1 377.532 3.603 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](C3CCC4(CC[NH2+]C4)CC3)C1)C2 ZINC001246872479 1037687810 /nfs/dbraw/zinc/68/78/10/1037687810.db2.gz HCOQWBITSVZMNN-MHWOCTGESA-N 2 1 382.548 3.504 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246894098 1037709220 /nfs/dbraw/zinc/70/92/20/1037709220.db2.gz NHPCZQYKHPCHII-QEGGNFSNSA-N 2 1 389.587 3.804 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246894102 1037709254 /nfs/dbraw/zinc/70/92/54/1037709254.db2.gz NHPCZQYKHPCHII-XDZVQPMWSA-N 2 1 389.587 3.804 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246905706 1037716365 /nfs/dbraw/zinc/71/63/65/1037716365.db2.gz FWRYHHFEPAWEOG-SBHPSCBMSA-N 2 1 378.944 3.895 20 0 GHADMP CN(C(=O)NCC1(CC2CC2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001246908825 1037717974 /nfs/dbraw/zinc/71/79/74/1037717974.db2.gz LJYBEBAUDLTOTD-SFTDATJTSA-N 2 1 390.616 3.545 20 0 GHADMP CC1(C)C[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CCO1 ZINC001246936402 1037742438 /nfs/dbraw/zinc/74/24/38/1037742438.db2.gz IMMVWPFYCBJXBB-GOSISDBHSA-N 2 1 381.358 3.961 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246952454 1037755945 /nfs/dbraw/zinc/75/59/45/1037755945.db2.gz SSNHPJCFGUJTQU-RXVVDRJESA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953295 1037759528 /nfs/dbraw/zinc/75/95/28/1037759528.db2.gz AXDAKADJWVNFAA-QAPCUYQASA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246965334 1037787959 /nfs/dbraw/zinc/78/79/59/1037787959.db2.gz PTTWZVOUPLIZPS-NCYKPQTJSA-N 2 1 388.552 3.889 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246966360 1037790380 /nfs/dbraw/zinc/79/03/80/1037790380.db2.gz UEJRGMRCAICWIW-NCYKPQTJSA-N 2 1 388.552 3.889 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246975655 1037799232 /nfs/dbraw/zinc/79/92/32/1037799232.db2.gz NABJWOBTXBEVPM-UZKOGDIHSA-N 2 1 399.510 3.874 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)nc1 ZINC001246975655 1037799247 /nfs/dbraw/zinc/79/92/47/1037799247.db2.gz NABJWOBTXBEVPM-UZKOGDIHSA-N 2 1 399.510 3.874 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH+]3CCC(Oc4ncnc5ccccc54)CC3)CC[NH2+]2)cc1 ZINC001246976905 1037800100 /nfs/dbraw/zinc/80/01/00/1037800100.db2.gz WSHGVBKTBIACRH-CVDCTZTESA-N 2 1 388.515 3.966 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)c1 ZINC001246992237 1037813661 /nfs/dbraw/zinc/81/36/61/1037813661.db2.gz VGTKCPMWWHOVNG-FUHWJXTLSA-N 2 1 379.342 3.825 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC3(CC2)[NH2+]CCc2ccccc23)C[N@H+]1Cc1ccccc1 ZINC001247001976 1037827544 /nfs/dbraw/zinc/82/75/44/1037827544.db2.gz KEDBWJYWVNJWSQ-NFBKMPQASA-N 2 1 375.560 3.786 20 0 GHADMP COCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001232300054 1038043666 /nfs/dbraw/zinc/04/36/66/1038043666.db2.gz GREUJHJNTIOYMW-OEMFJLHTSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001232300054 1038043688 /nfs/dbraw/zinc/04/36/88/1038043688.db2.gz GREUJHJNTIOYMW-OEMFJLHTSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001232300054 1038043703 /nfs/dbraw/zinc/04/37/03/1038043703.db2.gz GREUJHJNTIOYMW-OEMFJLHTSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001232300054 1038043724 /nfs/dbraw/zinc/04/37/24/1038043724.db2.gz GREUJHJNTIOYMW-OEMFJLHTSA-N 2 1 379.548 3.961 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Br)nc2C)CC1 ZINC001232322260 1038095131 /nfs/dbraw/zinc/09/51/31/1038095131.db2.gz FGMJDUKLCQLELZ-UHFFFAOYSA-N 2 1 375.314 3.595 20 0 GHADMP COc1cccc(C)c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001232620954 1038408498 /nfs/dbraw/zinc/40/84/98/1038408498.db2.gz RYLZXWCAUFIEFQ-RDGATRHJSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cccc(C)c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001232620954 1038408500 /nfs/dbraw/zinc/40/85/00/1038408500.db2.gz RYLZXWCAUFIEFQ-RDGATRHJSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cccc(C)c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232620954 1038408503 /nfs/dbraw/zinc/40/85/03/1038408503.db2.gz RYLZXWCAUFIEFQ-RDGATRHJSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cccc(C)c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232620954 1038408507 /nfs/dbraw/zinc/40/85/07/1038408507.db2.gz RYLZXWCAUFIEFQ-RDGATRHJSA-N 2 1 398.591 3.964 20 0 GHADMP c1ccc(N2CCCCC2)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247908902 1038482087 /nfs/dbraw/zinc/48/20/87/1038482087.db2.gz ZJJPNINJAKYRKC-UHFFFAOYSA-N 2 1 395.551 3.658 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@@H]3C2)cn1 ZINC001232727679 1038520588 /nfs/dbraw/zinc/52/05/88/1038520588.db2.gz AQMUDPGFXQHLHS-MSOLQXFVSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@@H]3C2)cn1 ZINC001232727679 1038520594 /nfs/dbraw/zinc/52/05/94/1038520594.db2.gz AQMUDPGFXQHLHS-MSOLQXFVSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@@H]3C2)cn1 ZINC001232727679 1038520598 /nfs/dbraw/zinc/52/05/98/1038520598.db2.gz AQMUDPGFXQHLHS-MSOLQXFVSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@@H]3C2)cn1 ZINC001232727679 1038520606 /nfs/dbraw/zinc/52/06/06/1038520606.db2.gz AQMUDPGFXQHLHS-MSOLQXFVSA-N 2 1 383.927 3.509 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCC1)c1ccccc1 ZINC001252069359 1038842465 /nfs/dbraw/zinc/84/24/65/1038842465.db2.gz QBQNSHMMAKAAAT-PZJWPPBQSA-N 2 1 384.568 3.530 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(N)cc1Cl)CC2 ZINC001233374930 1039196792 /nfs/dbraw/zinc/19/67/92/1039196792.db2.gz WBHSWOYOAXPLGN-GOSISDBHSA-N 2 1 389.927 3.771 20 0 GHADMP O[C@]1(C[NH+]2CCC(COc3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252931078 1039267887 /nfs/dbraw/zinc/26/78/87/1039267887.db2.gz HBWJFGHTMKOBLS-DEOSSOPVSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@]1(C[NH+]2CCC(COc3ccc(F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252931078 1039267903 /nfs/dbraw/zinc/26/79/03/1039267903.db2.gz HBWJFGHTMKOBLS-DEOSSOPVSA-N 2 1 398.522 3.554 20 0 GHADMP COc1cccc([C@H]2CCC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252933168 1039272263 /nfs/dbraw/zinc/27/22/63/1039272263.db2.gz DYNRMCNVQRFMSZ-LADGPHEKSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@H]2CCC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252933168 1039272277 /nfs/dbraw/zinc/27/22/77/1039272277.db2.gz DYNRMCNVQRFMSZ-LADGPHEKSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@H]2CCC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933168 1039272293 /nfs/dbraw/zinc/27/22/93/1039272293.db2.gz DYNRMCNVQRFMSZ-LADGPHEKSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@H]2CCC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933168 1039272306 /nfs/dbraw/zinc/27/23/06/1039272306.db2.gz DYNRMCNVQRFMSZ-LADGPHEKSA-N 2 1 380.532 3.512 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001253003105 1039330597 /nfs/dbraw/zinc/33/05/97/1039330597.db2.gz ZVFBTWXAAMMRLC-IFMALSPDSA-N 2 1 380.617 3.921 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001253003105 1039330619 /nfs/dbraw/zinc/33/06/19/1039330619.db2.gz ZVFBTWXAAMMRLC-IFMALSPDSA-N 2 1 380.617 3.921 20 0 GHADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 ZINC001253186295 1039466194 /nfs/dbraw/zinc/46/61/94/1039466194.db2.gz NHTHHAGOPKXKBS-QFIPXVFZSA-N 2 1 382.548 3.929 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1Br ZINC001278702920 1039471053 /nfs/dbraw/zinc/47/10/53/1039471053.db2.gz VNCRNFZQEPFFJK-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP C[N@@H+](C[C@@H](O)CCOCc1ccccc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001253271067 1039515428 /nfs/dbraw/zinc/51/54/28/1039515428.db2.gz CGRDIZMJYVNKON-VWLOTQADSA-N 2 1 396.575 3.798 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001233739665 1039581086 /nfs/dbraw/zinc/58/10/86/1039581086.db2.gz JTQNGTSGLOMFDQ-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001233739665 1039581103 /nfs/dbraw/zinc/58/11/03/1039581103.db2.gz JTQNGTSGLOMFDQ-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001233739665 1039581127 /nfs/dbraw/zinc/58/11/27/1039581127.db2.gz JTQNGTSGLOMFDQ-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858788 1039668142 /nfs/dbraw/zinc/66/81/42/1039668142.db2.gz JQNDRTJNMRARGY-FFZOFVMBSA-N 2 1 399.560 3.647 20 0 GHADMP CCCCC[C@@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001253528648 1039691325 /nfs/dbraw/zinc/69/13/25/1039691325.db2.gz PENDQBDSRBDIEX-RBUKOAKNSA-N 2 1 380.598 3.745 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001253832634 1039840466 /nfs/dbraw/zinc/84/04/66/1039840466.db2.gz UXMINLWYFPDQQA-KMDXXIMOSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001253832634 1039840487 /nfs/dbraw/zinc/84/04/87/1039840487.db2.gz UXMINLWYFPDQQA-KMDXXIMOSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001253832634 1039840511 /nfs/dbraw/zinc/84/05/11/1039840511.db2.gz UXMINLWYFPDQQA-KMDXXIMOSA-N 2 1 394.559 3.579 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1)CC1CC1 ZINC001254051885 1039976895 /nfs/dbraw/zinc/97/68/95/1039976895.db2.gz HFDHCFAIUYTDBS-QHCPKHFHSA-N 2 1 383.580 3.794 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001254311564 1040164462 /nfs/dbraw/zinc/16/44/62/1040164462.db2.gz FZQVVUKATJFUFH-SFHVURJKSA-N 2 1 388.556 3.738 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254513441 1040290378 /nfs/dbraw/zinc/29/03/78/1040290378.db2.gz ZHVMYMXSLXVXHF-FQEVSTJZSA-N 2 1 387.568 3.987 20 0 GHADMP CSCC[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001254511744 1040291406 /nfs/dbraw/zinc/29/14/06/1040291406.db2.gz FCMCPXQXXLGJQJ-FPOVZHCZSA-N 2 1 385.577 3.974 20 0 GHADMP CSCC[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001254511744 1040291418 /nfs/dbraw/zinc/29/14/18/1040291418.db2.gz FCMCPXQXXLGJQJ-FPOVZHCZSA-N 2 1 385.577 3.974 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(I)ccc3F)(C1)CCC2 ZINC001278793540 1040321858 /nfs/dbraw/zinc/32/18/58/1040321858.db2.gz UGBGHKQJFIEARQ-JKSUJKDBSA-N 2 1 388.268 3.585 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCN(c2ccc(F)cc2)CC1 ZINC001254626774 1040404457 /nfs/dbraw/zinc/40/44/57/1040404457.db2.gz VMMGVUPCZFCGDW-NRFANRHFSA-N 2 1 389.559 3.806 20 0 GHADMP CCOC(=O)c1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c[nH]1 ZINC001234947719 1040450288 /nfs/dbraw/zinc/45/02/88/1040450288.db2.gz VEKIAUOHNSPRSM-HXUWFJFHSA-N 2 1 385.508 3.661 20 0 GHADMP FC(F)(F)c1ccc(Oc2ccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cc2)cc1 ZINC001234986976 1040483414 /nfs/dbraw/zinc/48/34/14/1040483414.db2.gz FLFDNPLVCLDTCH-FQEVSTJZSA-N 2 1 391.437 3.635 20 0 GHADMP Brc1ccc2cc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001235008167 1040498955 /nfs/dbraw/zinc/49/89/55/1040498955.db2.gz NYIXGHQAZNPZBV-FQEVSTJZSA-N 2 1 389.337 3.804 20 0 GHADMP Brc1ccc2cc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001235008167 1040498966 /nfs/dbraw/zinc/49/89/66/1040498966.db2.gz NYIXGHQAZNPZBV-FQEVSTJZSA-N 2 1 389.337 3.804 20 0 GHADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]21 ZINC001254753303 1040514653 /nfs/dbraw/zinc/51/46/53/1040514653.db2.gz JFLFTCFTSGCYHC-QRVBRYPASA-N 2 1 377.573 3.582 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC(N[C@@H]3CC4CC[NH+](CC4)C3)CC2)cc1 ZINC001254834976 1040584449 /nfs/dbraw/zinc/58/44/49/1040584449.db2.gz CLBSKTQDSKCJRR-HXUWFJFHSA-N 2 1 381.486 3.744 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC3CC[NH+](CC3)C2)c2ccccc12 ZINC001254842798 1040587921 /nfs/dbraw/zinc/58/79/21/1040587921.db2.gz GTXBYWAXWLIUBI-ICSRJNTNSA-N 2 1 383.536 3.510 20 0 GHADMP CC[N@@H+](C)C1CC[NH+](C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001254879496 1040627985 /nfs/dbraw/zinc/62/79/85/1040627985.db2.gz LDYXEJFMRNUJPU-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972629 1040700610 /nfs/dbraw/zinc/70/06/10/1040700610.db2.gz VHPHWYUQQSQNBU-PMXSJFBMSA-N 2 1 387.568 3.871 20 0 GHADMP COc1cc(OC)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1Br ZINC001235227833 1040708498 /nfs/dbraw/zinc/70/84/98/1040708498.db2.gz JAUDBKDHGFPAPH-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP COc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc(OC)c1Br ZINC001235240389 1040720748 /nfs/dbraw/zinc/72/07/48/1040720748.db2.gz MPLWRGCIPZXCIX-MRXNPFEDSA-N 2 1 397.357 3.820 20 0 GHADMP Brc1cccc2c(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)[nH]nc21 ZINC001235240174 1040721264 /nfs/dbraw/zinc/72/12/64/1040721264.db2.gz WFKUURRAHGMTBD-MRXNPFEDSA-N 2 1 377.330 3.680 20 0 GHADMP C[C@H]1C[N@H+](C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CCN1C1CCCCC1 ZINC001255011630 1040728162 /nfs/dbraw/zinc/72/81/62/1040728162.db2.gz XYDVSMSTOLZNID-HTIDIIIKSA-N 2 1 397.607 3.757 20 0 GHADMP C[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C1CCCCC1 ZINC001255011630 1040728169 /nfs/dbraw/zinc/72/81/69/1040728169.db2.gz XYDVSMSTOLZNID-HTIDIIIKSA-N 2 1 397.607 3.757 20 0 GHADMP C[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C1CCCCC1 ZINC001255011630 1040728182 /nfs/dbraw/zinc/72/81/82/1040728182.db2.gz XYDVSMSTOLZNID-HTIDIIIKSA-N 2 1 397.607 3.757 20 0 GHADMP C[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C1CCCCC1 ZINC001255011630 1040728193 /nfs/dbraw/zinc/72/81/93/1040728193.db2.gz XYDVSMSTOLZNID-HTIDIIIKSA-N 2 1 397.607 3.757 20 0 GHADMP C[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C1CCCCC1 ZINC001255011630 1040728211 /nfs/dbraw/zinc/72/82/11/1040728211.db2.gz XYDVSMSTOLZNID-HTIDIIIKSA-N 2 1 397.607 3.757 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001235260590 1040741148 /nfs/dbraw/zinc/74/11/48/1040741148.db2.gz VSXMHSYXTMZZTB-QHCPKHFHSA-N 2 1 394.563 3.542 20 0 GHADMP COC(C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)OC ZINC001255069401 1040762209 /nfs/dbraw/zinc/76/22/09/1040762209.db2.gz LAHGUBNLHFISJA-JBRSBNLGSA-N 2 1 394.559 3.960 20 0 GHADMP O=C1C[C@@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)CO1 ZINC001255068778 1040762533 /nfs/dbraw/zinc/76/25/33/1040762533.db2.gz CNHMLRLBUPLTHE-VWBWNGLSSA-N 2 1 390.527 3.657 20 0 GHADMP O=C1C[C@@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CO1 ZINC001255068778 1040762553 /nfs/dbraw/zinc/76/25/53/1040762553.db2.gz CNHMLRLBUPLTHE-VWBWNGLSSA-N 2 1 390.527 3.657 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255101894 1040783833 /nfs/dbraw/zinc/78/38/33/1040783833.db2.gz ZFMINNSFAJRTFB-GBXCKJPGSA-N 2 1 391.515 3.521 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255101894 1040783850 /nfs/dbraw/zinc/78/38/50/1040783850.db2.gz ZFMINNSFAJRTFB-GBXCKJPGSA-N 2 1 391.515 3.521 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1c(C)cc(F)cc1C)C2 ZINC001235326158 1040794546 /nfs/dbraw/zinc/79/45/46/1040794546.db2.gz QAWPZWIHGLFNJS-NZQKXSOJSA-N 2 1 388.527 3.587 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1c(C)[nH]c3ccccc31)C2 ZINC001235325059 1040795088 /nfs/dbraw/zinc/79/50/88/1040795088.db2.gz OJYLVMHOSGDTKM-XUZZJYLKSA-N 2 1 395.547 3.621 20 0 GHADMP Brc1cccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1Br ZINC001235338082 1040808321 /nfs/dbraw/zinc/80/83/21/1040808321.db2.gz AVOURWXTLWRIPJ-UHFFFAOYSA-N 2 1 388.147 3.643 20 0 GHADMP [NH3+]C1(Cc2ccccn2)CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255131050 1040825211 /nfs/dbraw/zinc/82/52/11/1040825211.db2.gz MAJQOSHQMUGRHF-UBRQYEGLSA-N 2 1 390.575 3.613 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2cc(OCC4CC4)ncn2)C3)cc1 ZINC001255134114 1040833179 /nfs/dbraw/zinc/83/31/79/1040833179.db2.gz XQHOWZLTECFVAE-MMVMTREESA-N 2 1 378.520 3.551 20 0 GHADMP c1nc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1Cc1ccccn1 ZINC001255134143 1040833898 /nfs/dbraw/zinc/83/38/98/1040833898.db2.gz XVVXDFCQJJFAKB-ULPXVVAUSA-N 2 1 387.531 3.612 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)c1OCCO ZINC001235363503 1040849399 /nfs/dbraw/zinc/84/93/99/1040849399.db2.gz ACUQARRJENFFKF-BJKOFHAPSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc(C)c1OCCO ZINC001235363503 1040849410 /nfs/dbraw/zinc/84/94/10/1040849410.db2.gz ACUQARRJENFFKF-BJKOFHAPSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc(C)c1OCCO ZINC001235363503 1040849424 /nfs/dbraw/zinc/84/94/24/1040849424.db2.gz ACUQARRJENFFKF-BJKOFHAPSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(C)c1OCCO ZINC001235363503 1040849434 /nfs/dbraw/zinc/84/94/34/1040849434.db2.gz ACUQARRJENFFKF-BJKOFHAPSA-N 2 1 394.559 3.628 20 0 GHADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)s1 ZINC001235367538 1040862644 /nfs/dbraw/zinc/86/26/44/1040862644.db2.gz TXUUXTTYZITHMI-UGKGYDQZSA-N 2 1 384.593 3.743 20 0 GHADMP CCN(CC)c1ncc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)s1 ZINC001235367538 1040862650 /nfs/dbraw/zinc/86/26/50/1040862650.db2.gz TXUUXTTYZITHMI-UGKGYDQZSA-N 2 1 384.593 3.743 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148898 1040862651 /nfs/dbraw/zinc/86/26/51/1040862651.db2.gz CWBBXFYZKJYNBG-ACHVPNTGSA-N 2 1 376.548 3.789 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148898 1040862656 /nfs/dbraw/zinc/86/26/56/1040862656.db2.gz CWBBXFYZKJYNBG-ACHVPNTGSA-N 2 1 376.548 3.789 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148898 1040862666 /nfs/dbraw/zinc/86/26/66/1040862666.db2.gz CWBBXFYZKJYNBG-ACHVPNTGSA-N 2 1 376.548 3.789 20 0 GHADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235366900 1040863540 /nfs/dbraw/zinc/86/35/40/1040863540.db2.gz FVIBCJPCSLNHSK-QPTUXGOLSA-N 2 1 378.516 3.527 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235371788 1040876628 /nfs/dbraw/zinc/87/66/28/1040876628.db2.gz SBPGKFTYLXEWGE-NOZRDPDXSA-N 2 1 391.559 3.578 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235376250 1040885515 /nfs/dbraw/zinc/88/55/15/1040885515.db2.gz CBMRDYKBPVAGSG-QUCCMNQESA-N 2 1 391.437 3.747 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235376250 1040885537 /nfs/dbraw/zinc/88/55/37/1040885537.db2.gz CBMRDYKBPVAGSG-QUCCMNQESA-N 2 1 391.437 3.747 20 0 GHADMP Brc1c2ccccc2sc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235377896 1040894417 /nfs/dbraw/zinc/89/44/17/1040894417.db2.gz FZIKYHOEVHPKQH-SNUQEOBHSA-N 2 1 393.350 3.617 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC([NH3+])(c3cccc(Cl)c3)CC1)C2 ZINC001255194047 1040900644 /nfs/dbraw/zinc/90/06/44/1040900644.db2.gz ZZKVVVLGHMAQML-REPLKXPHSA-N 2 1 391.943 3.742 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@H+](Cc2cccc(N4CCCCC4)n2)CC3)cc1 ZINC001235383466 1040902797 /nfs/dbraw/zinc/90/27/97/1040902797.db2.gz PQHOTKLTOXOJLT-RCZVLFRGSA-N 2 1 390.575 3.825 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2cccc(N4CCCCC4)n2)CC3)cc1 ZINC001235383466 1040902803 /nfs/dbraw/zinc/90/28/03/1040902803.db2.gz PQHOTKLTOXOJLT-RCZVLFRGSA-N 2 1 390.575 3.825 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001255208844 1040905252 /nfs/dbraw/zinc/90/52/52/1040905252.db2.gz BPNGFLDSXVPIGP-KJJMTIBFSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+](C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001255208844 1040905255 /nfs/dbraw/zinc/90/52/55/1040905255.db2.gz BPNGFLDSXVPIGP-KJJMTIBFSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+](C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001255208844 1040905256 /nfs/dbraw/zinc/90/52/56/1040905256.db2.gz BPNGFLDSXVPIGP-KJJMTIBFSA-N 2 1 385.552 3.592 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C2 ZINC001235408060 1040918892 /nfs/dbraw/zinc/91/88/92/1040918892.db2.gz STXWNRPEZNJVHI-FUHWJXTLSA-N 2 1 382.405 3.619 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C2 ZINC001235408060 1040918895 /nfs/dbraw/zinc/91/88/95/1040918895.db2.gz STXWNRPEZNJVHI-FUHWJXTLSA-N 2 1 382.405 3.619 20 0 GHADMP Brc1cccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]nc21 ZINC001235429628 1040931518 /nfs/dbraw/zinc/93/15/18/1040931518.db2.gz UUKNPLORSAABCN-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235433098 1040934957 /nfs/dbraw/zinc/93/49/57/1040934957.db2.gz XBOJUILYQUIANV-LSDHHAIUSA-N 2 1 397.357 3.678 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001235473537 1040953402 /nfs/dbraw/zinc/95/34/02/1040953402.db2.gz OSQCFGYMRKCDHD-UHFFFAOYSA-N 2 1 390.984 3.894 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001235481862 1040956500 /nfs/dbraw/zinc/95/65/00/1040956500.db2.gz GUAYRADJNHOKFD-HSZRJFAPSA-N 3 1 379.548 3.802 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255379943 1040971327 /nfs/dbraw/zinc/97/13/27/1040971327.db2.gz YQLSGSHYOYKEOG-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255379943 1040971337 /nfs/dbraw/zinc/97/13/37/1040971337.db2.gz YQLSGSHYOYKEOG-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255379943 1040971339 /nfs/dbraw/zinc/97/13/39/1040971339.db2.gz YQLSGSHYOYKEOG-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001255380122 1040971395 /nfs/dbraw/zinc/97/13/95/1040971395.db2.gz QFQUUHDKSKRLQZ-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001255380122 1040971401 /nfs/dbraw/zinc/97/14/01/1040971401.db2.gz QFQUUHDKSKRLQZ-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380385 1040971427 /nfs/dbraw/zinc/97/14/27/1040971427.db2.gz JTJBJXDNHCHMIW-FQEVSTJZSA-N 2 1 375.557 3.936 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255380979 1040972239 /nfs/dbraw/zinc/97/22/39/1040972239.db2.gz NPEXCGUVVYPBHQ-YSFYHYPLSA-N 2 1 399.579 3.744 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001255381998 1040973354 /nfs/dbraw/zinc/97/33/54/1040973354.db2.gz AXLUSRIGSISACD-NRFANRHFSA-N 2 1 376.504 3.923 20 0 GHADMP c1csc(C[N@@H+]2CCC3(C2)CCN(C[C@@H]2Cc4ccccc4C[NH2+]2)CC3)c1 ZINC001235528220 1040976546 /nfs/dbraw/zinc/97/65/46/1040976546.db2.gz ZVQBPCAWTQFXNG-NRFANRHFSA-N 2 1 381.589 3.751 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2Cc4ccccc4CN2)CC3)c1 ZINC001235528220 1040976552 /nfs/dbraw/zinc/97/65/52/1040976552.db2.gz ZVQBPCAWTQFXNG-NRFANRHFSA-N 2 1 381.589 3.751 20 0 GHADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2Cc4ccccc4CN2)CC3)c1 ZINC001235528220 1040976557 /nfs/dbraw/zinc/97/65/57/1040976557.db2.gz ZVQBPCAWTQFXNG-NRFANRHFSA-N 2 1 381.589 3.751 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255387629 1040976508 /nfs/dbraw/zinc/97/65/08/1040976508.db2.gz URPGJVLFPHOZTL-CZYKHXBRSA-N 2 1 399.579 3.886 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1OC ZINC001255392613 1040980015 /nfs/dbraw/zinc/98/00/15/1040980015.db2.gz JVKSEKOTBMPJKX-JOCHJYFZSA-N 2 1 398.547 3.865 20 0 GHADMP O=C(C1CCCC1)N1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255393207 1040981680 /nfs/dbraw/zinc/98/16/80/1040981680.db2.gz MJRQBVPUVUJRLP-QFIPXVFZSA-N 2 1 383.580 3.812 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@@H+](C[C@H]1CCC[NH2+]C1)C[C@H]2c1ccccc1 ZINC001235542972 1040981820 /nfs/dbraw/zinc/98/18/20/1040981820.db2.gz BLJORADRDKDATM-AVCGJXAMSA-N 2 1 395.572 3.570 20 0 GHADMP CC(C)(C)OC(=O)N1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255401030 1040988137 /nfs/dbraw/zinc/98/81/37/1040988137.db2.gz QSXZDOWHIMRNEV-NRFANRHFSA-N 2 1 387.568 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255401030 1040988142 /nfs/dbraw/zinc/98/81/42/1040988142.db2.gz QSXZDOWHIMRNEV-NRFANRHFSA-N 2 1 387.568 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255401030 1040988143 /nfs/dbraw/zinc/98/81/43/1040988143.db2.gz QSXZDOWHIMRNEV-NRFANRHFSA-N 2 1 387.568 3.984 20 0 GHADMP c1c2c(cccc2N2CC[NH2+]CC2)nn1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255406199 1040992787 /nfs/dbraw/zinc/99/27/87/1040992787.db2.gz QBDGJARIRZVGFK-OAQYLSRUSA-N 2 1 389.547 3.673 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407953 1040994688 /nfs/dbraw/zinc/99/46/88/1040994688.db2.gz GUDFWVWHRAZCEB-QHCPKHFHSA-N 2 1 378.564 3.957 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407953 1040994689 /nfs/dbraw/zinc/99/46/89/1040994689.db2.gz GUDFWVWHRAZCEB-QHCPKHFHSA-N 2 1 378.564 3.957 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407953 1040994691 /nfs/dbraw/zinc/99/46/91/1040994691.db2.gz GUDFWVWHRAZCEB-QHCPKHFHSA-N 2 1 378.564 3.957 20 0 GHADMP FC(F)(F)c1nn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255408773 1040995784 /nfs/dbraw/zinc/99/57/84/1040995784.db2.gz PZJORJIXJGHANT-INIZCTEOSA-N 2 1 378.442 3.775 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255408872 1040995940 /nfs/dbraw/zinc/99/59/40/1040995940.db2.gz DMZJPIVAMGNRJL-ACRUOGEOSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255408872 1040995945 /nfs/dbraw/zinc/99/59/45/1040995945.db2.gz DMZJPIVAMGNRJL-ACRUOGEOSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255408872 1040995949 /nfs/dbraw/zinc/99/59/49/1040995949.db2.gz DMZJPIVAMGNRJL-ACRUOGEOSA-N 2 1 385.552 3.592 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3cc(C(F)(F)F)nn3[C@H]3CCCCO3)C2)CC1 ZINC001235584137 1040998422 /nfs/dbraw/zinc/99/84/22/1040998422.db2.gz ZDBNXYXODJLKSS-QGZVFWFLSA-N 2 1 386.462 3.519 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409645 1040998400 /nfs/dbraw/zinc/99/84/00/1040998400.db2.gz JUNZGDUESWCECR-JTHBVZDNSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409645 1040998408 /nfs/dbraw/zinc/99/84/08/1040998408.db2.gz JUNZGDUESWCECR-JTHBVZDNSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409645 1040998414 /nfs/dbraw/zinc/99/84/14/1040998414.db2.gz JUNZGDUESWCECR-JTHBVZDNSA-N 2 1 395.547 3.988 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(C(F)(F)F)nn3[C@H]3CCCCO3)C2)CC1 ZINC001235584137 1040998427 /nfs/dbraw/zinc/99/84/27/1040998427.db2.gz ZDBNXYXODJLKSS-QGZVFWFLSA-N 2 1 386.462 3.519 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(CCC[NH2+]C1CCCCC1)C2 ZINC001235597820 1041009962 /nfs/dbraw/zinc/00/99/62/1041009962.db2.gz UXVDSYQONURIHK-UHFFFAOYSA-N 2 1 396.579 3.977 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(CCC[NH2+]C1CCCCC1)C2 ZINC001235597820 1041009984 /nfs/dbraw/zinc/00/99/84/1041009984.db2.gz UXVDSYQONURIHK-UHFFFAOYSA-N 2 1 396.579 3.977 20 0 GHADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)cc1 ZINC001235680637 1041142980 /nfs/dbraw/zinc/14/29/80/1041142980.db2.gz VCJSMOXEITYQSD-QFIPXVFZSA-N 2 1 375.520 3.842 20 0 GHADMP C[NH2+]CC1CC[NH+](Cc2cccc(Br)c2Br)CC1 ZINC001235680016 1041144085 /nfs/dbraw/zinc/14/40/85/1041144085.db2.gz QAADWHFBVWWBKS-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)CC(F)(F)F)CC2 ZINC001255654244 1041194701 /nfs/dbraw/zinc/19/47/01/1041194701.db2.gz ZVSAUMWCUWAHDL-CABCVRRESA-N 2 1 391.503 3.787 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(I)ccc1Cl ZINC001235717556 1041194930 /nfs/dbraw/zinc/19/49/30/1041194930.db2.gz JWQPTCBVYSTSKI-UHFFFAOYSA-N 2 1 392.712 3.766 20 0 GHADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1c(Cl)cccc1I ZINC001235718317 1041201827 /nfs/dbraw/zinc/20/18/27/1041201827.db2.gz XRWMOAWPILCTOY-UHFFFAOYSA-N 2 1 392.712 3.766 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1c(Cl)cccc1I ZINC001235718317 1041201845 /nfs/dbraw/zinc/20/18/45/1041201845.db2.gz XRWMOAWPILCTOY-UHFFFAOYSA-N 2 1 392.712 3.766 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255740833 1041259989 /nfs/dbraw/zinc/25/99/89/1041259989.db2.gz CSELDOHLMUXIMV-SFGWALBWSA-N 2 1 392.584 3.987 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255740833 1041260004 /nfs/dbraw/zinc/26/00/04/1041260004.db2.gz CSELDOHLMUXIMV-SFGWALBWSA-N 2 1 392.584 3.987 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)CSc1ccc(F)cc1)C2 ZINC001255740833 1041260021 /nfs/dbraw/zinc/26/00/21/1041260021.db2.gz CSELDOHLMUXIMV-SFGWALBWSA-N 2 1 392.584 3.987 20 0 GHADMP CC1(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)CC[NH2+]CC1 ZINC001235816597 1041332272 /nfs/dbraw/zinc/33/22/72/1041332272.db2.gz VFNMVAUHAVPUOE-UHFFFAOYSA-N 2 1 379.548 3.525 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001235848154 1041373693 /nfs/dbraw/zinc/37/36/93/1041373693.db2.gz QUIUMVDKPSRCLY-UHFFFAOYSA-N 2 1 396.482 3.520 20 0 GHADMP c1ccc(C(OCC[N@H+]2CCCN(C[C@@H]3CCC[NH2+]3)CC2)c2ccccc2)cc1 ZINC001235867411 1041401364 /nfs/dbraw/zinc/40/13/64/1041401364.db2.gz PNTOBJLCWBFTFA-DEOSSOPVSA-N 2 1 393.575 3.552 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC001235893710 1041416928 /nfs/dbraw/zinc/41/69/28/1041416928.db2.gz QTKSLLBZKQPDHU-QAPCUYQASA-N 2 1 378.358 3.623 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951755 1041432783 /nfs/dbraw/zinc/43/27/83/1041432783.db2.gz JZBANZHMNNVSPW-STZQEDGTSA-N 3 1 389.584 3.666 20 0 GHADMP COCCC[N@@H+](Cc1cc2ccc(Br)cc2[nH]1)C1CC[NH2+]CC1 ZINC001235936962 1041441884 /nfs/dbraw/zinc/44/18/84/1041441884.db2.gz IJQXMAXGIWSCJA-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP COCCC[N@H+](Cc1cc(Br)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001235937869 1041443454 /nfs/dbraw/zinc/44/34/54/1041443454.db2.gz SBVGLMAELUWDTM-UHFFFAOYSA-N 2 1 399.373 3.827 20 0 GHADMP COCCC[N@@H+](Cc1cc(Br)ccc1OC(C)C)C1CC[NH2+]CC1 ZINC001235937869 1041443457 /nfs/dbraw/zinc/44/34/57/1041443457.db2.gz SBVGLMAELUWDTM-UHFFFAOYSA-N 2 1 399.373 3.827 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235973166 1041477880 /nfs/dbraw/zinc/47/78/80/1041477880.db2.gz LJBNGZFRWDEKJJ-RBUKOAKNSA-N 2 1 376.614 3.757 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001235973166 1041477886 /nfs/dbraw/zinc/47/78/86/1041477886.db2.gz LJBNGZFRWDEKJJ-RBUKOAKNSA-N 3 1 376.614 3.757 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235973166 1041477901 /nfs/dbraw/zinc/47/79/01/1041477901.db2.gz LJBNGZFRWDEKJJ-RBUKOAKNSA-N 3 1 376.614 3.757 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001235973166 1041477909 /nfs/dbraw/zinc/47/79/09/1041477909.db2.gz LJBNGZFRWDEKJJ-RBUKOAKNSA-N 3 1 376.614 3.757 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001235973166 1041477916 /nfs/dbraw/zinc/47/79/16/1041477916.db2.gz LJBNGZFRWDEKJJ-RBUKOAKNSA-N 3 1 376.614 3.757 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256076139 1041509122 /nfs/dbraw/zinc/50/91/22/1041509122.db2.gz VCIMMPLUONJTPK-QFIPXVFZSA-N 2 1 377.573 3.869 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CCC[N@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256076139 1041509128 /nfs/dbraw/zinc/50/91/28/1041509128.db2.gz VCIMMPLUONJTPK-QFIPXVFZSA-N 2 1 377.573 3.869 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076244 1041509497 /nfs/dbraw/zinc/50/94/97/1041509497.db2.gz WTWZQVDQETVXLM-RBUKOAKNSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076244 1041509509 /nfs/dbraw/zinc/50/95/09/1041509509.db2.gz WTWZQVDQETVXLM-RBUKOAKNSA-N 2 1 391.600 3.972 20 0 GHADMP O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256078550 1041513489 /nfs/dbraw/zinc/51/34/89/1041513489.db2.gz ZCPIYWPZHUMBIT-QHCPKHFHSA-N 2 1 393.575 3.689 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2cc(C)c(C)cc2OCc2ccccc2)CC1 ZINC001236067821 1041520823 /nfs/dbraw/zinc/52/08/23/1041520823.db2.gz WTPATIAEKGWAJE-HSZRJFAPSA-N 2 1 396.531 3.595 20 0 GHADMP [NH3+]CC1CN([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)C1 ZINC001236079668 1041524598 /nfs/dbraw/zinc/52/45/98/1041524598.db2.gz PKUNVIXTMZSAPO-NRFANRHFSA-N 2 1 399.966 3.774 20 0 GHADMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](Cc3ccccc3Oc3cccc(Cl)c3)C2)C1 ZINC001236081084 1041526177 /nfs/dbraw/zinc/52/61/77/1041526177.db2.gz XYOKRSKVTSKSKS-HXUWFJFHSA-N 2 1 385.939 3.987 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC001236082190 1041526416 /nfs/dbraw/zinc/52/64/16/1041526416.db2.gz ASJWBTVNPZQWGT-UHFFFAOYSA-N 2 1 393.453 3.835 20 0 GHADMP COc1ccc([C@H](C[N@H+](C)CC[C@H]2COC(C)(C)[NH2+]2)C2(O)CCCCC2)cc1 ZINC001236094138 1041530394 /nfs/dbraw/zinc/53/03/94/1041530394.db2.gz PCYYOPLMSQAVQW-FPOVZHCZSA-N 2 1 390.568 3.520 20 0 GHADMP COc1ccc([C@H](C[N@@H+](C)CC[C@H]2COC(C)(C)[NH2+]2)C2(O)CCCCC2)cc1 ZINC001236094138 1041530411 /nfs/dbraw/zinc/53/04/11/1041530411.db2.gz PCYYOPLMSQAVQW-FPOVZHCZSA-N 2 1 390.568 3.520 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236099374 1041534963 /nfs/dbraw/zinc/53/49/63/1041534963.db2.gz XUEPKFGTMWWWGN-XZOQPEGZSA-N 2 1 378.516 3.644 20 0 GHADMP C[C@@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cnc2n1CC[NH2+]CC2 ZINC001236161724 1041583941 /nfs/dbraw/zinc/58/39/41/1041583941.db2.gz QZWHLVNPLYUOFV-CYFREDJKSA-N 2 1 390.531 3.669 20 0 GHADMP CCC[N@@H+](Cc1cc2c(c(OCc3ccccc3)c1)OCO2)C1CC[NH2+]CC1 ZINC001236185168 1041605663 /nfs/dbraw/zinc/60/56/63/1041605663.db2.gz YVHXICDJRYMOLD-UHFFFAOYSA-N 2 1 382.504 3.958 20 0 GHADMP COc1cccc(C[C@@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001256165348 1041611805 /nfs/dbraw/zinc/61/18/05/1041611805.db2.gz VVJSLGAFKQJFDE-VLHNPEIBSA-N 2 1 396.579 3.696 20 0 GHADMP COc1cccc(C[C@@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001256165348 1041611820 /nfs/dbraw/zinc/61/18/20/1041611820.db2.gz VVJSLGAFKQJFDE-VLHNPEIBSA-N 2 1 396.579 3.696 20 0 GHADMP COc1cccc(C[C@@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001256165348 1041611835 /nfs/dbraw/zinc/61/18/35/1041611835.db2.gz VVJSLGAFKQJFDE-VLHNPEIBSA-N 2 1 396.579 3.696 20 0 GHADMP COc1cc(C[N@H+](C)C2(C)CC[NH2+]CC2)cc(OCc2ccccc2)c1OC ZINC001236226137 1041632454 /nfs/dbraw/zinc/63/24/54/1041632454.db2.gz JXENOHXHKOENBT-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP COc1cc(C[N@@H+](C)C2(C)CC[NH2+]CC2)cc(OCc2ccccc2)c1OC ZINC001236226137 1041632464 /nfs/dbraw/zinc/63/24/64/1041632464.db2.gz JXENOHXHKOENBT-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP C[NH+]1CCC([NH2+]C2(c3cccc(F)c3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256199349 1041644388 /nfs/dbraw/zinc/64/43/88/1041644388.db2.gz MYRKWGWBYSZCRW-UHFFFAOYSA-N 2 1 391.531 3.736 20 0 GHADMP FC(F)(F)c1ccccc1N1CC[NH+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001236309475 1041667316 /nfs/dbraw/zinc/66/73/16/1041667316.db2.gz LMJWTWVXFKGKTF-UHFFFAOYSA-N 2 1 381.467 3.735 20 0 GHADMP Fc1ccccc1CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC001236364861 1041683107 /nfs/dbraw/zinc/68/31/07/1041683107.db2.gz YTAMNNKRBKGENF-GGAORHGYSA-N 2 1 381.539 3.902 20 0 GHADMP Clc1nc2[nH]cc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)c2c(Cl)n1 ZINC001236375928 1041687102 /nfs/dbraw/zinc/68/71/02/1041687102.db2.gz OAOHCVUUQDJFAJ-LBPRGKRZSA-N 2 1 382.339 3.961 20 0 GHADMP Brc1ccc2ncc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)n2c1 ZINC001236377141 1041688577 /nfs/dbraw/zinc/68/85/77/1041688577.db2.gz YCHVWVMAJHCRCL-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP Brc1ccn2c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cnc2c1 ZINC001236377187 1041688848 /nfs/dbraw/zinc/68/88/48/1041688848.db2.gz XSPXHCKVTPWLMJ-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256303972 1041693010 /nfs/dbraw/zinc/69/30/10/1041693010.db2.gz FUGVFSIJIJETHG-UHFFFAOYSA-N 3 1 381.008 3.784 20 0 GHADMP COc1nccc(Cl)c1C[N@@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385310 1041693303 /nfs/dbraw/zinc/69/33/03/1041693303.db2.gz TYDNEQFBFFILNA-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COc1nccc(Cl)c1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385310 1041693306 /nfs/dbraw/zinc/69/33/06/1041693306.db2.gz TYDNEQFBFFILNA-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cnn3ccc(Cl)nc23)CC2CC[NH2+]CC2)cc1 ZINC001236387497 1041693472 /nfs/dbraw/zinc/69/34/72/1041693472.db2.gz YQFSQXCNTNXIOD-UHFFFAOYSA-N 2 1 387.890 3.524 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2cnccc2Br)CC2CC[NH2+]CC2)cc1 ZINC001236385272 1041693512 /nfs/dbraw/zinc/69/35/12/1041693512.db2.gz RQXDRPZUOVVFNX-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cnccc2Br)CC2CC[NH2+]CC2)cc1 ZINC001236385272 1041693515 /nfs/dbraw/zinc/69/35/15/1041693515.db2.gz RQXDRPZUOVVFNX-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP CC(C)(C)c1ccc(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)cc1 ZINC001236387234 1041693699 /nfs/dbraw/zinc/69/36/99/1041693699.db2.gz WHAAPTZSFXMDBA-UHFFFAOYSA-N 2 1 387.612 3.508 20 0 GHADMP COc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc(Br)c1O ZINC001236457018 1041720444 /nfs/dbraw/zinc/72/04/44/1041720444.db2.gz IUEDSPPGPIXTIU-UHFFFAOYSA-N 2 1 385.346 3.763 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H](C)Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256407362 1041721122 /nfs/dbraw/zinc/72/11/22/1041721122.db2.gz MKNRIXXGGAXLCQ-NQSCKRDGSA-N 2 1 381.520 3.571 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3[nH]ccc3c2)C2CC[NH2+]CC2)c1 ZINC001236466339 1041728069 /nfs/dbraw/zinc/72/80/69/1041728069.db2.gz ZGACHBCERHWIME-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3[nH]ccc3c2)C2CC[NH2+]CC2)c1 ZINC001236466339 1041728074 /nfs/dbraw/zinc/72/80/74/1041728074.db2.gz ZGACHBCERHWIME-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](C[C@H]1COC2(CCCCC2)O1)C1CC[NH2+]CC1 ZINC001236515870 1041749137 /nfs/dbraw/zinc/74/91/37/1041749137.db2.gz BRYQRUUXYMTTJP-NRFANRHFSA-N 2 1 376.516 3.764 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](C[C@H]1COC2(CCCCC2)O1)C1CC[NH2+]CC1 ZINC001236515870 1041749140 /nfs/dbraw/zinc/74/91/40/1041749140.db2.gz BRYQRUUXYMTTJP-NRFANRHFSA-N 2 1 376.516 3.764 20 0 GHADMP COc1ccc2c(c1)n[nH]c2C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541393 1041756388 /nfs/dbraw/zinc/75/63/88/1041756388.db2.gz QISCGHRMSPVVGC-QAQDUYKDSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541393 1041756394 /nfs/dbraw/zinc/75/63/94/1041756394.db2.gz QISCGHRMSPVVGC-QAQDUYKDSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541393 1041756400 /nfs/dbraw/zinc/75/64/00/1041756400.db2.gz QISCGHRMSPVVGC-QAQDUYKDSA-N 2 1 382.483 3.983 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2[nH]nc3cc(Br)ccc32)CC2CC2)CC1 ZINC001236552148 1041759745 /nfs/dbraw/zinc/75/97/45/1041759745.db2.gz JAILSHDWVRMWBG-SHTZXODSSA-N 2 1 377.330 3.807 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001236622877 1041788986 /nfs/dbraw/zinc/78/89/86/1041788986.db2.gz QGKNSFKDVFHQNK-HSZRJFAPSA-N 2 1 382.527 3.591 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(F)c(N3CCOCC3)c2)CC1 ZINC001236693398 1041836046 /nfs/dbraw/zinc/83/60/46/1041836046.db2.gz DMUXMZMSKZRVPX-HZCBDIJESA-N 2 1 397.538 3.934 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722891 1041857473 /nfs/dbraw/zinc/85/74/73/1041857473.db2.gz OFDFDLADWARRJR-HZCBDIJESA-N 2 1 396.531 3.819 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2cnnn2Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236726126 1041859687 /nfs/dbraw/zinc/85/96/87/1041859687.db2.gz KBRGPLVCBWYNNH-YHBQERECSA-N 2 1 389.547 3.907 20 0 GHADMP CCC[N@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C[C@H]1CC[NH2+]C1 ZINC001236844672 1041926235 /nfs/dbraw/zinc/92/62/35/1041926235.db2.gz XPKKLBBJUWSNAX-FQEVSTJZSA-N 2 1 396.531 3.874 20 0 GHADMP Cc1ccccc1OC1CC[NH+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)CC1 ZINC001236960696 1041969754 /nfs/dbraw/zinc/96/97/54/1041969754.db2.gz UODUVFMRXDETPR-UHFFFAOYSA-N 2 1 397.538 3.929 20 0 GHADMP C[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001236962206 1041970468 /nfs/dbraw/zinc/97/04/68/1041970468.db2.gz ZUWLAKFYXLHDFR-QFIPXVFZSA-N 2 1 397.538 3.616 20 0 GHADMP C[N@H+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001236962206 1041970474 /nfs/dbraw/zinc/97/04/74/1041970474.db2.gz ZUWLAKFYXLHDFR-QFIPXVFZSA-N 2 1 397.538 3.616 20 0 GHADMP C[NH+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001236962206 1041970476 /nfs/dbraw/zinc/97/04/76/1041970476.db2.gz ZUWLAKFYXLHDFR-QFIPXVFZSA-N 2 1 397.538 3.616 20 0 GHADMP C[NH+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001236962206 1041970480 /nfs/dbraw/zinc/97/04/80/1041970480.db2.gz ZUWLAKFYXLHDFR-QFIPXVFZSA-N 2 1 397.538 3.616 20 0 GHADMP COc1cccc(CCC[N@H+](C)Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)c1 ZINC001236974028 1041974545 /nfs/dbraw/zinc/97/45/45/1041974545.db2.gz PIPCTSHPNSDFPU-UHFFFAOYSA-N 2 1 385.527 3.651 20 0 GHADMP COc1cccc(CCC[N@@H+](C)Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)c1 ZINC001236974028 1041974549 /nfs/dbraw/zinc/97/45/49/1041974549.db2.gz PIPCTSHPNSDFPU-UHFFFAOYSA-N 2 1 385.527 3.651 20 0 GHADMP C[N@@H+](Cc1cccs1)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237096952 1042033775 /nfs/dbraw/zinc/03/37/75/1042033775.db2.gz SKBAFTGYQKXHJF-UHFFFAOYSA-N 2 1 394.382 3.894 20 0 GHADMP CC(C)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237098807 1042034804 /nfs/dbraw/zinc/03/48/04/1042034804.db2.gz ONADFNYCAHJALB-GOSISDBHSA-N 2 1 380.374 3.821 20 0 GHADMP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C2)cc1 ZINC001237263239 1042112623 /nfs/dbraw/zinc/11/26/23/1042112623.db2.gz BGGQZRWHKSWFJX-OAQYLSRUSA-N 2 1 394.563 3.658 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(O)cc(F)c1)CC2 ZINC001237277739 1042119266 /nfs/dbraw/zinc/11/92/66/1042119266.db2.gz GKEFQAWAMDUQCC-GOSISDBHSA-N 2 1 390.524 3.848 20 0 GHADMP FC(F)(F)c1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001237289430 1042126604 /nfs/dbraw/zinc/12/66/04/1042126604.db2.gz DWZSKTZWTNVBCV-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1-c1ccccc1 ZINC001237306446 1042136034 /nfs/dbraw/zinc/13/60/34/1042136034.db2.gz HEVQAAASAOZYHZ-UHFFFAOYSA-N 2 1 384.520 3.679 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1-c1ccccc1 ZINC001237306446 1042136036 /nfs/dbraw/zinc/13/60/36/1042136036.db2.gz HEVQAAASAOZYHZ-UHFFFAOYSA-N 2 1 384.520 3.679 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)CCC12C[NH2+]C2 ZINC001237430545 1042205772 /nfs/dbraw/zinc/20/57/72/1042205772.db2.gz KZFXZLKGUTUWCA-OAQYLSRUSA-N 2 1 398.478 3.593 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001237697223 1042329391 /nfs/dbraw/zinc/32/93/91/1042329391.db2.gz ZYEAYNNTEVEQRS-HLAWJBBLSA-N 2 1 383.561 3.580 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001237697223 1042329398 /nfs/dbraw/zinc/32/93/98/1042329398.db2.gz ZYEAYNNTEVEQRS-HLAWJBBLSA-N 2 1 383.561 3.580 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001237697223 1042329404 /nfs/dbraw/zinc/32/94/04/1042329404.db2.gz ZYEAYNNTEVEQRS-HLAWJBBLSA-N 2 1 383.561 3.580 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001237697223 1042329411 /nfs/dbraw/zinc/32/94/11/1042329411.db2.gz ZYEAYNNTEVEQRS-HLAWJBBLSA-N 2 1 383.561 3.580 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@H]2C1 ZINC001237722970 1042342216 /nfs/dbraw/zinc/34/22/16/1042342216.db2.gz JIXSPMLRWOPYSK-WOJBJXKFSA-N 2 1 385.552 3.758 20 0 GHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722766 1042342231 /nfs/dbraw/zinc/34/22/31/1042342231.db2.gz YUEXOTKKYPPZNP-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722766 1042342237 /nfs/dbraw/zinc/34/22/37/1042342237.db2.gz YUEXOTKKYPPZNP-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722766 1042342242 /nfs/dbraw/zinc/34/22/42/1042342242.db2.gz YUEXOTKKYPPZNP-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C2)C1 ZINC001237722766 1042342246 /nfs/dbraw/zinc/34/22/46/1042342246.db2.gz YUEXOTKKYPPZNP-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP CCOC[C@@H]1Cn2nccc2C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237876929 1042405350 /nfs/dbraw/zinc/40/53/50/1042405350.db2.gz KPTBBSINEDOHJW-IBGZPJMESA-N 2 1 380.536 3.553 20 0 GHADMP CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237876929 1042405354 /nfs/dbraw/zinc/40/53/54/1042405354.db2.gz KPTBBSINEDOHJW-IBGZPJMESA-N 2 1 380.536 3.553 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237878999 1042406819 /nfs/dbraw/zinc/40/68/19/1042406819.db2.gz IMEAFZUPRCYOTC-FQEVSTJZSA-N 2 1 378.520 3.830 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC1 ZINC001237887982 1042410703 /nfs/dbraw/zinc/41/07/03/1042410703.db2.gz XZSMTPKWIQBIGG-QFIPXVFZSA-N 2 1 383.580 3.763 20 0 GHADMP CCOc1cc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)cn1 ZINC001238400840 1042584790 /nfs/dbraw/zinc/58/47/90/1042584790.db2.gz AXMRQJGPVKLYJD-UHFFFAOYSA-N 2 1 384.362 3.795 20 0 GHADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)cn1 ZINC001238400840 1042584792 /nfs/dbraw/zinc/58/47/92/1042584792.db2.gz AXMRQJGPVKLYJD-UHFFFAOYSA-N 2 1 384.362 3.795 20 0 GHADMP CCCCOc1ncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1C ZINC001238490613 1042616774 /nfs/dbraw/zinc/61/67/74/1042616774.db2.gz KHODLMRBTXABJM-PKTZIBPZSA-N 2 1 394.563 3.918 20 0 GHADMP CCCCOc1ncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1C ZINC001238490613 1042616777 /nfs/dbraw/zinc/61/67/77/1042616777.db2.gz KHODLMRBTXABJM-PKTZIBPZSA-N 2 1 394.563 3.918 20 0 GHADMP CCCCOc1ncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1C ZINC001238490613 1042616782 /nfs/dbraw/zinc/61/67/82/1042616782.db2.gz KHODLMRBTXABJM-PKTZIBPZSA-N 2 1 394.563 3.918 20 0 GHADMP CCCCOc1ncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1C ZINC001238490613 1042616783 /nfs/dbraw/zinc/61/67/83/1042616783.db2.gz KHODLMRBTXABJM-PKTZIBPZSA-N 2 1 394.563 3.918 20 0 GHADMP CSc1ccc(Cl)cc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001238671866 1042678531 /nfs/dbraw/zinc/67/85/31/1042678531.db2.gz SLQUCHGLRFVZOD-UHFFFAOYSA-N 2 1 390.984 3.913 20 0 GHADMP CSc1ccc(Cl)cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001238671866 1042678533 /nfs/dbraw/zinc/67/85/33/1042678533.db2.gz SLQUCHGLRFVZOD-UHFFFAOYSA-N 2 1 390.984 3.913 20 0 GHADMP CC[NH+](CC)CCn1cc(-c2nccc3c2CC[N@@H+](Cc2ccccc2)C3)cn1 ZINC001239194574 1042783969 /nfs/dbraw/zinc/78/39/69/1042783969.db2.gz JXGZHQIOOWXWQN-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001291540781 1043332154 /nfs/dbraw/zinc/33/21/54/1043332154.db2.gz VVRHGZIOMFXKKA-PMACEKPBSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256521731 1043444805 /nfs/dbraw/zinc/44/48/05/1043444805.db2.gz CEAWYGZETNUYSI-JWRIFHQMSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256521731 1043444820 /nfs/dbraw/zinc/44/48/20/1043444820.db2.gz CEAWYGZETNUYSI-JWRIFHQMSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530738 1043465300 /nfs/dbraw/zinc/46/53/00/1043465300.db2.gz DUZICLJXGXGFBR-SQJMNOBHSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530738 1043465306 /nfs/dbraw/zinc/46/53/06/1043465306.db2.gz DUZICLJXGXGFBR-SQJMNOBHSA-N 3 1 392.591 3.936 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535429 1043477552 /nfs/dbraw/zinc/47/75/52/1043477552.db2.gz ZIMYBQXAHQCLFE-HUVFLSCGSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535429 1043477577 /nfs/dbraw/zinc/47/75/77/1043477577.db2.gz ZIMYBQXAHQCLFE-HUVFLSCGSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536710 1043480682 /nfs/dbraw/zinc/48/06/82/1043480682.db2.gz FLOKMQKQVYJTGU-YKWDRNOUSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256536710 1043480698 /nfs/dbraw/zinc/48/06/98/1043480698.db2.gz FLOKMQKQVYJTGU-YKWDRNOUSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536710 1043480708 /nfs/dbraw/zinc/48/07/08/1043480708.db2.gz FLOKMQKQVYJTGU-YKWDRNOUSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536710 1043480719 /nfs/dbraw/zinc/48/07/19/1043480719.db2.gz FLOKMQKQVYJTGU-YKWDRNOUSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541771 1043493767 /nfs/dbraw/zinc/49/37/67/1043493767.db2.gz NFWBVZMIEHAKGX-UYOCQKMUSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541771 1043493775 /nfs/dbraw/zinc/49/37/75/1043493775.db2.gz NFWBVZMIEHAKGX-UYOCQKMUSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256541771 1043493790 /nfs/dbraw/zinc/49/37/90/1043493790.db2.gz NFWBVZMIEHAKGX-UYOCQKMUSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256541771 1043493802 /nfs/dbraw/zinc/49/38/02/1043493802.db2.gz NFWBVZMIEHAKGX-UYOCQKMUSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256544625 1043499939 /nfs/dbraw/zinc/49/99/39/1043499939.db2.gz ZTLYGGJZHXSUHM-ZDFPQIBNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256544625 1043499947 /nfs/dbraw/zinc/49/99/47/1043499947.db2.gz ZTLYGGJZHXSUHM-ZDFPQIBNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256544625 1043499960 /nfs/dbraw/zinc/49/99/60/1043499960.db2.gz ZTLYGGJZHXSUHM-ZDFPQIBNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC[NH+]1Cc1ccccc1 ZINC001256544625 1043499976 /nfs/dbraw/zinc/49/99/76/1043499976.db2.gz ZTLYGGJZHXSUHM-ZDFPQIBNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCc3ncnc(C4CC4)c3CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256545805 1043502674 /nfs/dbraw/zinc/50/26/74/1043502674.db2.gz HYGGWWJAESQKSC-GHTZIAJQSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCc3ncnc(C4CC4)c3CC2)CC[N@H+]1Cc1ccccc1 ZINC001256545805 1043502681 /nfs/dbraw/zinc/50/26/81/1043502681.db2.gz HYGGWWJAESQKSC-GHTZIAJQSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CCc3ncnc(C4CC4)c3CC2)CC[NH+]1Cc1ccccc1 ZINC001256545805 1043502691 /nfs/dbraw/zinc/50/26/91/1043502691.db2.gz HYGGWWJAESQKSC-GHTZIAJQSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CCc3ncnc(C4CC4)c3CC2)CC[NH+]1Cc1ccccc1 ZINC001256545805 1043502698 /nfs/dbraw/zinc/50/26/98/1043502698.db2.gz HYGGWWJAESQKSC-GHTZIAJQSA-N 2 1 376.548 3.808 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001256545651 1043502740 /nfs/dbraw/zinc/50/27/40/1043502740.db2.gz UEHIASBRRLGWAK-ZBCONREDSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001256545651 1043502746 /nfs/dbraw/zinc/50/27/46/1043502746.db2.gz UEHIASBRRLGWAK-ZBCONREDSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC001256545651 1043502750 /nfs/dbraw/zinc/50/27/50/1043502750.db2.gz UEHIASBRRLGWAK-ZBCONREDSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC001256545651 1043502761 /nfs/dbraw/zinc/50/27/61/1043502761.db2.gz UEHIASBRRLGWAK-ZBCONREDSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548668 1043509017 /nfs/dbraw/zinc/50/90/17/1043509017.db2.gz BWUIIFBIAIAVMC-HLAWJBBLSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548668 1043509041 /nfs/dbraw/zinc/50/90/41/1043509041.db2.gz BWUIIFBIAIAVMC-HLAWJBBLSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548668 1043509054 /nfs/dbraw/zinc/50/90/54/1043509054.db2.gz BWUIIFBIAIAVMC-HLAWJBBLSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548668 1043509056 /nfs/dbraw/zinc/50/90/56/1043509056.db2.gz BWUIIFBIAIAVMC-HLAWJBBLSA-N 2 1 387.568 3.981 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256556130 1043524765 /nfs/dbraw/zinc/52/47/65/1043524765.db2.gz XFKQAJUYRMPMDP-ZJSXRUAMSA-N 2 1 393.575 3.866 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256556130 1043524782 /nfs/dbraw/zinc/52/47/82/1043524782.db2.gz XFKQAJUYRMPMDP-ZJSXRUAMSA-N 2 1 393.575 3.866 20 0 GHADMP COc1cccc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256556983 1043528099 /nfs/dbraw/zinc/52/80/99/1043528099.db2.gz KANWQTGFIXKMMS-UGKGYDQZSA-N 2 1 394.563 3.702 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256558179 1043529349 /nfs/dbraw/zinc/52/93/49/1043529349.db2.gz RMOWTRJQWZDRMW-CTNGQTDRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256558179 1043529362 /nfs/dbraw/zinc/52/93/62/1043529362.db2.gz RMOWTRJQWZDRMW-CTNGQTDRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256558687 1043530591 /nfs/dbraw/zinc/53/05/91/1043530591.db2.gz UFQBNHACAZEUNU-KAGYGMCKSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256558687 1043530595 /nfs/dbraw/zinc/53/05/95/1043530595.db2.gz UFQBNHACAZEUNU-KAGYGMCKSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256558687 1043530598 /nfs/dbraw/zinc/53/05/98/1043530598.db2.gz UFQBNHACAZEUNU-KAGYGMCKSA-N 2 1 381.520 3.596 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001256558687 1043530601 /nfs/dbraw/zinc/53/06/01/1043530601.db2.gz UFQBNHACAZEUNU-KAGYGMCKSA-N 2 1 381.520 3.596 20 0 GHADMP C[C@H]1C[C@H](n2c3ccccc3nc2N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559720 1043535295 /nfs/dbraw/zinc/53/52/95/1043535295.db2.gz NHEJWRKXTLOBIS-PZJWPPBQSA-N 2 1 389.547 3.672 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4CC[NH+](C(C)(C)C)CC4)C3)CC2=O)s1 ZINC001256570225 1043542291 /nfs/dbraw/zinc/54/22/91/1043542291.db2.gz BUMGYDKVCSDEIN-NRFANRHFSA-N 2 1 375.582 3.748 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587791 1043556070 /nfs/dbraw/zinc/55/60/70/1043556070.db2.gz PFRCFSQDTAUODW-QPPBQGQZSA-N 2 1 392.591 3.794 20 0 GHADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCOCC2)nc1 ZINC001256600401 1043563981 /nfs/dbraw/zinc/56/39/81/1043563981.db2.gz GDMWBWKIOJPOOJ-UHFFFAOYSA-N 2 1 383.511 3.523 20 0 GHADMP [NH3+]C1(Cc2ccccc2F)CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256602336 1043565556 /nfs/dbraw/zinc/56/55/56/1043565556.db2.gz VEJLWWNJWYPKRN-UHFFFAOYSA-N 2 1 381.539 3.826 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256696840 1043629278 /nfs/dbraw/zinc/62/92/78/1043629278.db2.gz NUIVXISHHSNVDG-ODMWJAAVSA-N 2 1 392.584 3.605 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858191 1043706724 /nfs/dbraw/zinc/70/67/24/1043706724.db2.gz BTJMNWMLBBTIRJ-QFIPXVFZSA-N 2 1 396.560 3.631 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256865759 1043711176 /nfs/dbraw/zinc/71/11/76/1043711176.db2.gz VFOVWXVPFRROIO-PKTZIBPZSA-N 3 1 390.575 3.894 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256865759 1043711182 /nfs/dbraw/zinc/71/11/82/1043711182.db2.gz VFOVWXVPFRROIO-PKTZIBPZSA-N 3 1 390.575 3.894 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256865759 1043711189 /nfs/dbraw/zinc/71/11/89/1043711189.db2.gz VFOVWXVPFRROIO-PKTZIBPZSA-N 3 1 390.575 3.894 20 0 GHADMP C[N@H+](C1CC1)C1CC[NH+](C2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256893620 1043725719 /nfs/dbraw/zinc/72/57/19/1043725719.db2.gz FFYHXAYLSBWFGS-UHFFFAOYSA-N 2 1 382.474 3.628 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256893620 1043725734 /nfs/dbraw/zinc/72/57/34/1043725734.db2.gz FFYHXAYLSBWFGS-UHFFFAOYSA-N 2 1 382.474 3.628 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3c(C)cccc3Cl)CC2)C1 ZINC001278981108 1043780431 /nfs/dbraw/zinc/78/04/31/1043780431.db2.gz XKJOOVQHAMJLOM-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3c(C)cccc3Cl)CC2)C1 ZINC001278981108 1043780435 /nfs/dbraw/zinc/78/04/35/1043780435.db2.gz XKJOOVQHAMJLOM-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292562746 1043787669 /nfs/dbraw/zinc/78/76/69/1043787669.db2.gz JMAVSYDXPMEMSS-NRFANRHFSA-N 2 1 382.552 3.910 20 0 GHADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292562746 1043787682 /nfs/dbraw/zinc/78/76/82/1043787682.db2.gz JMAVSYDXPMEMSS-NRFANRHFSA-N 2 1 382.552 3.910 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(C)[nH]c2ccc(Cl)cc21 ZINC001292581052 1043794885 /nfs/dbraw/zinc/79/48/85/1043794885.db2.gz AIEKIGDOZWCAIZ-QGZVFWFLSA-N 2 1 390.959 3.618 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001292583155 1043796032 /nfs/dbraw/zinc/79/60/32/1043796032.db2.gz ZNLKUKQINRQISI-OKZBNKHCSA-N 2 1 391.522 3.620 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3cccc(OC)c3)CC2)cc1 ZINC001257153151 1043901739 /nfs/dbraw/zinc/90/17/39/1043901739.db2.gz CSFYGKLCKRTAIF-GOSISDBHSA-N 2 1 396.531 3.753 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)CC1 ZINC001257221047 1043941177 /nfs/dbraw/zinc/94/11/77/1043941177.db2.gz ZUHOBCHKBNKBCB-HSZRJFAPSA-N 2 1 395.591 3.935 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001257223735 1043941347 /nfs/dbraw/zinc/94/13/47/1043941347.db2.gz YJVMKUFCBMCVGZ-UHFFFAOYSA-N 2 1 397.485 3.772 20 0 GHADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CCc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001257282688 1043955365 /nfs/dbraw/zinc/95/53/65/1043955365.db2.gz OVPAXZIYARAHTN-JKFKMHIGSA-N 2 1 382.548 3.822 20 0 GHADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CCc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001257282688 1043955374 /nfs/dbraw/zinc/95/53/74/1043955374.db2.gz OVPAXZIYARAHTN-JKFKMHIGSA-N 2 1 382.548 3.822 20 0 GHADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)CCc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001257282688 1043955380 /nfs/dbraw/zinc/95/53/80/1043955380.db2.gz OVPAXZIYARAHTN-JKFKMHIGSA-N 2 1 382.548 3.822 20 0 GHADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)CCc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001257282688 1043955382 /nfs/dbraw/zinc/95/53/82/1043955382.db2.gz OVPAXZIYARAHTN-JKFKMHIGSA-N 2 1 382.548 3.822 20 0 GHADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257566119 1044050630 /nfs/dbraw/zinc/05/06/30/1044050630.db2.gz XDDNIABAZORSCA-OXJNMPFZSA-N 2 1 395.385 3.955 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257566119 1044050642 /nfs/dbraw/zinc/05/06/42/1044050642.db2.gz XDDNIABAZORSCA-OXJNMPFZSA-N 2 1 395.385 3.955 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257579487 1044065286 /nfs/dbraw/zinc/06/52/86/1044065286.db2.gz RWGTUTGCEXSAPT-BCDXTJNWSA-N 3 1 398.636 3.638 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257838986 1044213250 /nfs/dbraw/zinc/21/32/50/1044213250.db2.gz SOKUKIQYRYTMIP-GURQWTFNSA-N 2 1 379.589 3.876 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)[C@@H](C)C1 ZINC001257846375 1044218365 /nfs/dbraw/zinc/21/83/65/1044218365.db2.gz WJNKSZVJFSQRIV-XEOGZFBHSA-N 2 1 379.589 3.730 20 0 GHADMP COC(=O)C1CCC([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001257867836 1044230441 /nfs/dbraw/zinc/23/04/41/1044230441.db2.gz TWZYASKMTSKDLB-UHFFFAOYSA-N 2 1 378.944 3.968 20 0 GHADMP COC(=O)C1CCC([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001257867836 1044230456 /nfs/dbraw/zinc/23/04/56/1044230456.db2.gz TWZYASKMTSKDLB-UHFFFAOYSA-N 2 1 378.944 3.968 20 0 GHADMP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257991773 1044321998 /nfs/dbraw/zinc/32/19/98/1044321998.db2.gz XWUORZUXRNFTLY-NHCUHLMSSA-N 2 1 389.584 3.881 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]C[C@]2(F)CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258001599 1044328704 /nfs/dbraw/zinc/32/87/04/1044328704.db2.gz VWMRISZUUPIQIG-OAQYLSRUSA-N 2 1 385.568 3.826 20 0 GHADMP CC(C)C[NH+]1CCC(n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)CC1 ZINC001258006681 1044334235 /nfs/dbraw/zinc/33/42/35/1044334235.db2.gz KXRGQMFNNAFILP-UHFFFAOYSA-N 2 1 382.596 3.900 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258013389 1044337831 /nfs/dbraw/zinc/33/78/31/1044337831.db2.gz QFEUXLMHAOZMQG-JOCHJYFZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258013389 1044337846 /nfs/dbraw/zinc/33/78/46/1044337846.db2.gz QFEUXLMHAOZMQG-JOCHJYFZSA-N 2 1 379.589 3.972 20 0 GHADMP CCOC(=O)CC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC001258024553 1044350577 /nfs/dbraw/zinc/35/05/77/1044350577.db2.gz ZQRTXEOCOZBQCA-KICKQETISA-N 2 1 384.564 3.999 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258063260 1044376789 /nfs/dbraw/zinc/37/67/89/1044376789.db2.gz FHLCQGCJWZVJTD-WIEKXJNISA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258063260 1044376802 /nfs/dbraw/zinc/37/68/02/1044376802.db2.gz FHLCQGCJWZVJTD-WIEKXJNISA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001258063260 1044376820 /nfs/dbraw/zinc/37/68/20/1044376820.db2.gz FHLCQGCJWZVJTD-WIEKXJNISA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001258063260 1044376836 /nfs/dbraw/zinc/37/68/36/1044376836.db2.gz FHLCQGCJWZVJTD-WIEKXJNISA-N 2 1 387.616 3.914 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258114491 1044402792 /nfs/dbraw/zinc/40/27/92/1044402792.db2.gz WZWWZDXIRNOBLB-IHPCNDPISA-N 2 1 376.541 3.889 20 0 GHADMP Brc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC001258138344 1044423737 /nfs/dbraw/zinc/42/37/37/1044423737.db2.gz URDICYROBVHASU-UHFFFAOYSA-N 2 1 388.353 3.683 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCN(CCc3ccccc3)CC2)CC1 ZINC001258138150 1044423952 /nfs/dbraw/zinc/42/39/52/1044423952.db2.gz SEKNUXSSFAJJEA-RQNOJGIXSA-N 2 1 392.591 3.861 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccnc2)C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258138150 1044423960 /nfs/dbraw/zinc/42/39/60/1044423960.db2.gz SEKNUXSSFAJJEA-RQNOJGIXSA-N 3 1 392.591 3.861 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258138150 1044423964 /nfs/dbraw/zinc/42/39/64/1044423964.db2.gz SEKNUXSSFAJJEA-RQNOJGIXSA-N 3 1 392.591 3.861 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141015 1044427816 /nfs/dbraw/zinc/42/78/16/1044427816.db2.gz RFXYCOSAYXEXCK-HXUWFJFHSA-N 2 1 380.532 3.640 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258148253 1044439274 /nfs/dbraw/zinc/43/92/74/1044439274.db2.gz DCSWQVHMACULKP-ZRZAMGCNSA-N 2 1 375.560 3.762 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258148253 1044439282 /nfs/dbraw/zinc/43/92/82/1044439282.db2.gz DCSWQVHMACULKP-ZRZAMGCNSA-N 2 1 375.560 3.762 20 0 GHADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001294071800 1044455867 /nfs/dbraw/zinc/45/58/67/1044455867.db2.gz KHGPBWZHWFPCDW-WXFUMESZSA-N 2 1 399.623 3.971 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)Cc1ccco1)CC2 ZINC001258188233 1044461001 /nfs/dbraw/zinc/46/10/01/1044461001.db2.gz ISQNRPWLWJLTMZ-ZWKOTPCHSA-N 2 1 389.565 3.670 20 0 GHADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258338744 1044515563 /nfs/dbraw/zinc/51/55/63/1044515563.db2.gz UDPQYTAHDSOGRY-MISYRCLQSA-N 2 1 377.598 3.525 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258338744 1044515579 /nfs/dbraw/zinc/51/55/79/1044515579.db2.gz UDPQYTAHDSOGRY-MISYRCLQSA-N 2 1 377.598 3.525 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258338744 1044515587 /nfs/dbraw/zinc/51/55/87/1044515587.db2.gz UDPQYTAHDSOGRY-MISYRCLQSA-N 2 1 377.598 3.525 20 0 GHADMP C[C@H](CC1CC1)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258462005 1044571149 /nfs/dbraw/zinc/57/11/49/1044571149.db2.gz QWBUJZUZYPCLIO-WNOPAQSVSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H](CC1CC1)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001258462005 1044571167 /nfs/dbraw/zinc/57/11/67/1044571167.db2.gz QWBUJZUZYPCLIO-WNOPAQSVSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578064 1044653175 /nfs/dbraw/zinc/65/31/75/1044653175.db2.gz MCXDPPJEXOFYIS-OFNKIYASSA-N 2 1 379.548 3.665 20 0 GHADMP CCC[C@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001258656932 1044695858 /nfs/dbraw/zinc/69/58/58/1044695858.db2.gz LCQDUWFNIZWPRL-RTWAWAEBSA-N 2 1 382.552 3.549 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258657175 1044696291 /nfs/dbraw/zinc/69/62/91/1044696291.db2.gz VNURAGITBRJXCE-RBZQAINGSA-N 2 1 397.607 3.805 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC(C)(C)C1 ZINC001258684932 1044712289 /nfs/dbraw/zinc/71/22/89/1044712289.db2.gz CRBAYEPAMYDTQU-MKXGPGLRSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC(C)(C)C1 ZINC001258684932 1044712301 /nfs/dbraw/zinc/71/23/01/1044712301.db2.gz CRBAYEPAMYDTQU-MKXGPGLRSA-N 2 1 379.589 3.732 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001258772390 1044756400 /nfs/dbraw/zinc/75/64/00/1044756400.db2.gz PJXBDYCVGSXIFM-WIYYLYMNSA-N 2 1 383.552 3.532 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001258865149 1044805647 /nfs/dbraw/zinc/80/56/47/1044805647.db2.gz MGBMRPZKAZIYDX-WDSOQIARSA-N 2 1 378.557 3.871 20 0 GHADMP COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001258882137 1044832835 /nfs/dbraw/zinc/83/28/35/1044832835.db2.gz MMHGWCUPCRKEJW-UEVCKROQSA-N 2 1 385.596 3.555 20 0 GHADMP COc1ccccc1C[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001258889514 1044842106 /nfs/dbraw/zinc/84/21/06/1044842106.db2.gz JFKLVOBYKRRKHX-NRFANRHFSA-N 2 1 394.559 3.993 20 0 GHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001295977079 1045204983 /nfs/dbraw/zinc/20/49/83/1045204983.db2.gz GXJCFABDFGJYEY-UFYCRDLUSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001295977079 1045204996 /nfs/dbraw/zinc/20/49/96/1045204996.db2.gz GXJCFABDFGJYEY-UFYCRDLUSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001295977079 1045205006 /nfs/dbraw/zinc/20/50/06/1045205006.db2.gz GXJCFABDFGJYEY-UFYCRDLUSA-N 2 1 390.620 3.585 20 0 GHADMP C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001298317906 1045772621 /nfs/dbraw/zinc/77/26/21/1045772621.db2.gz DTQVUTKBFYCJBQ-LEWJYISDSA-N 2 1 397.607 3.662 20 0 GHADMP CC[NH+](CC)[C@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261221470 1045927421 /nfs/dbraw/zinc/92/74/21/1045927421.db2.gz WVFLQOCHXICBQW-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001261233055 1045932437 /nfs/dbraw/zinc/93/24/37/1045932437.db2.gz DLLWATHEISNHLL-GTCWDNOESA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001261233055 1045932442 /nfs/dbraw/zinc/93/24/42/1045932442.db2.gz DLLWATHEISNHLL-GTCWDNOESA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001261233055 1045932451 /nfs/dbraw/zinc/93/24/51/1045932451.db2.gz DLLWATHEISNHLL-GTCWDNOESA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](n2cncn2)C1 ZINC001261240219 1045936096 /nfs/dbraw/zinc/93/60/96/1045936096.db2.gz PTTYJFBFFXVZLW-SWUCNREESA-N 2 1 381.568 3.900 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)s1 ZINC001262361702 1046248527 /nfs/dbraw/zinc/24/85/27/1046248527.db2.gz VWIQPLWERGIUQA-UHFFFAOYSA-N 2 1 387.549 3.986 20 0 GHADMP CC(C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001302664108 1047033234 /nfs/dbraw/zinc/03/32/34/1047033234.db2.gz FKTBZMRCAGLMGP-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353048 1047655888 /nfs/dbraw/zinc/65/58/88/1047655888.db2.gz VALGQQCNZNSPKD-VXNXHJTFSA-N 2 1 391.559 3.645 20 0 GHADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353048 1047655895 /nfs/dbraw/zinc/65/58/95/1047655895.db2.gz VALGQQCNZNSPKD-VXNXHJTFSA-N 2 1 391.559 3.645 20 0 GHADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304353048 1047655902 /nfs/dbraw/zinc/65/59/02/1047655902.db2.gz VALGQQCNZNSPKD-VXNXHJTFSA-N 2 1 391.559 3.645 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC001279262340 1047751168 /nfs/dbraw/zinc/75/11/68/1047751168.db2.gz DCHHOANYZBFZIF-SHJAMOMRSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC001279262340 1047751170 /nfs/dbraw/zinc/75/11/70/1047751170.db2.gz DCHHOANYZBFZIF-SHJAMOMRSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC001279262340 1047751174 /nfs/dbraw/zinc/75/11/74/1047751174.db2.gz DCHHOANYZBFZIF-SHJAMOMRSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC001279262340 1047751177 /nfs/dbraw/zinc/75/11/77/1047751177.db2.gz DCHHOANYZBFZIF-SHJAMOMRSA-N 2 1 377.598 3.943 20 0 GHADMP CNc1nc(SC)ncc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001279325819 1047768900 /nfs/dbraw/zinc/76/89/00/1047768900.db2.gz YVFJOLDFFNQAFF-VQTJNVASSA-N 2 1 375.586 3.707 20 0 GHADMP CN(C)C(=O)C[N@H+]1CCCC2(CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)C1 ZINC001279351167 1047777489 /nfs/dbraw/zinc/77/74/89/1047777489.db2.gz PQQRBFBMISKHLD-UHFFFAOYSA-N 2 1 398.378 3.760 20 0 GHADMP Clc1ccsc1C[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279372864 1047785061 /nfs/dbraw/zinc/78/50/61/1047785061.db2.gz UVYWKYOAIBBWAN-UHFFFAOYSA-N 2 1 378.973 3.976 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001279595827 1047860325 /nfs/dbraw/zinc/86/03/25/1047860325.db2.gz BZNYTVRVNRVOIF-NQIIRXRSSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001279595827 1047860338 /nfs/dbraw/zinc/86/03/38/1047860338.db2.gz BZNYTVRVNRVOIF-NQIIRXRSSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001279595827 1047860353 /nfs/dbraw/zinc/86/03/53/1047860353.db2.gz BZNYTVRVNRVOIF-NQIIRXRSSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001279595827 1047860369 /nfs/dbraw/zinc/86/03/69/1047860369.db2.gz BZNYTVRVNRVOIF-NQIIRXRSSA-N 2 1 377.598 3.945 20 0 GHADMP Brc1ccsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001279703322 1047924163 /nfs/dbraw/zinc/92/41/63/1047924163.db2.gz AZDYARFNTXJINC-SJORKVTESA-N 2 1 395.370 3.959 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc(C)c1I ZINC001280186588 1048120307 /nfs/dbraw/zinc/12/03/07/1048120307.db2.gz UWHQCQRYVPCYAU-UHFFFAOYSA-N 2 1 398.332 3.826 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc(C)c1I ZINC001280186588 1048120298 /nfs/dbraw/zinc/12/02/98/1048120298.db2.gz UWHQCQRYVPCYAU-UHFFFAOYSA-N 2 1 398.332 3.826 20 0 GHADMP CC(C)c1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)c(Cl)n1 ZINC001280184122 1048120606 /nfs/dbraw/zinc/12/06/06/1048120606.db2.gz IDHCZYKHFSCNQQ-NRFANRHFSA-N 2 1 378.992 3.708 20 0 GHADMP COC(=O)C1(c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001307477369 1049314655 /nfs/dbraw/zinc/31/46/55/1049314655.db2.gz LDHHVOWRJYZQEQ-CTNGQTDRSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001307477369 1049314668 /nfs/dbraw/zinc/31/46/68/1049314668.db2.gz LDHHVOWRJYZQEQ-CTNGQTDRSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001307477369 1049314682 /nfs/dbraw/zinc/31/46/82/1049314682.db2.gz LDHHVOWRJYZQEQ-CTNGQTDRSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@H]4C)C3)cc2)CC1 ZINC001307477369 1049314696 /nfs/dbraw/zinc/31/46/96/1049314696.db2.gz LDHHVOWRJYZQEQ-CTNGQTDRSA-N 2 1 384.564 3.978 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750353 1049564431 /nfs/dbraw/zinc/56/44/31/1049564431.db2.gz IJJLBTWYSMAHCI-KNQAVFIVSA-N 2 1 397.588 3.924 20 0 GHADMP O=C(C[NH2+]C1(C2CCC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307892412 1049670838 /nfs/dbraw/zinc/67/08/38/1049670838.db2.gz JDVVVAMUWBLESI-IBGZPJMESA-N 2 1 375.944 3.515 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC001290051794 1049719588 /nfs/dbraw/zinc/71/95/88/1049719588.db2.gz CVXRJLSIWZKFPB-UHFFFAOYSA-N 2 1 376.504 3.557 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001290153667 1049747600 /nfs/dbraw/zinc/74/76/00/1049747600.db2.gz MWRCNVWADVVOTJ-NHCUHLMSSA-N 2 1 391.559 3.793 20 0 GHADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCN1c1cc[nH+]cc1 ZINC001308040265 1049791089 /nfs/dbraw/zinc/79/10/89/1049791089.db2.gz LGJBGIPTGZQATK-CQSZACIVSA-N 2 1 393.318 3.928 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[NH+](C)C)cc1 ZINC001290309097 1049796673 /nfs/dbraw/zinc/79/66/73/1049796673.db2.gz ISNBJJBPHBJXTF-NHCUHLMSSA-N 2 1 387.955 3.924 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(F)c(F)c2F)[C@H](c2ccccc2)C1 ZINC001308196206 1049908305 /nfs/dbraw/zinc/90/83/05/1049908305.db2.gz DGXNUFNTOZTFJK-IBGZPJMESA-N 2 1 377.454 3.572 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001308389994 1049964783 /nfs/dbraw/zinc/96/47/83/1049964783.db2.gz JFIOTEHMOJBANK-QFIPXVFZSA-N 2 1 391.559 3.711 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001291001015 1049967704 /nfs/dbraw/zinc/96/77/04/1049967704.db2.gz CSJWYENUTHEZHT-MQSCRBSSSA-N 2 1 397.607 3.773 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]1C)O[C@H](C)C2 ZINC001308488903 1049988122 /nfs/dbraw/zinc/98/81/22/1049988122.db2.gz SCMMAAJQRXYXRF-NJNPRVFISA-N 2 1 380.532 3.876 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C)O[C@H](C)C2 ZINC001308488903 1049988123 /nfs/dbraw/zinc/98/81/23/1049988123.db2.gz SCMMAAJQRXYXRF-NJNPRVFISA-N 2 1 380.532 3.876 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001308489149 1049988732 /nfs/dbraw/zinc/98/87/32/1049988732.db2.gz WSPIQCXMSSBQQO-RXVVDRJESA-N 2 1 398.547 3.960 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001308561532 1050009988 /nfs/dbraw/zinc/00/99/88/1050009988.db2.gz PTMMVIJHYPAERG-FQEVSTJZSA-N 2 1 375.557 3.875 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001308561532 1050009991 /nfs/dbraw/zinc/00/99/91/1050009991.db2.gz PTMMVIJHYPAERG-FQEVSTJZSA-N 2 1 375.557 3.875 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001308561532 1050009997 /nfs/dbraw/zinc/00/99/97/1050009997.db2.gz PTMMVIJHYPAERG-FQEVSTJZSA-N 2 1 375.557 3.875 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001308561532 1050010003 /nfs/dbraw/zinc/01/00/03/1050010003.db2.gz PTMMVIJHYPAERG-FQEVSTJZSA-N 2 1 375.557 3.875 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465446 1050018373 /nfs/dbraw/zinc/01/83/73/1050018373.db2.gz NSXPTRSCNNDSNJ-ZSZQSSIHSA-N 2 1 381.358 3.725 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2C2CCCC2)CC1 ZINC001308597393 1050025917 /nfs/dbraw/zinc/02/59/17/1050025917.db2.gz ASGHNCSXXUBIDZ-UHFFFAOYSA-N 2 1 376.589 3.648 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnn(-c3ccccc3C)c2)CC1 ZINC001308598998 1050026755 /nfs/dbraw/zinc/02/67/55/1050026755.db2.gz OYKXTGSFKYWPCV-UHFFFAOYSA-N 2 1 384.568 3.751 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)CC2)C1 ZINC001308637522 1050042492 /nfs/dbraw/zinc/04/24/92/1050042492.db2.gz WQKYREYWFYSHIC-NIJXNBFTSA-N 3 1 399.623 3.776 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)CC2)C1 ZINC001308637522 1050042501 /nfs/dbraw/zinc/04/25/01/1050042501.db2.gz WQKYREYWFYSHIC-NIJXNBFTSA-N 3 1 399.623 3.776 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)CC2)C1 ZINC001308637522 1050042513 /nfs/dbraw/zinc/04/25/13/1050042513.db2.gz WQKYREYWFYSHIC-NIJXNBFTSA-N 3 1 399.623 3.776 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C[C@H]1C ZINC001308919841 1050169557 /nfs/dbraw/zinc/16/95/57/1050169557.db2.gz SXXCKFZVEWNMQU-HGIWEUDGSA-N 2 1 385.552 3.751 20 0 GHADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC001308957491 1050217881 /nfs/dbraw/zinc/21/78/81/1050217881.db2.gz CPOLJMYLIALROE-UFYCRDLUSA-N 2 1 385.552 3.686 20 0 GHADMP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1[C@H](C)CC[C@H]1C ZINC001327888286 1050315226 /nfs/dbraw/zinc/31/52/26/1050315226.db2.gz UFJKPINJYZDCOG-DGKUESKLSA-N 2 1 383.580 3.950 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC001330288709 1050993862 /nfs/dbraw/zinc/99/38/62/1050993862.db2.gz HDAWHEBNJCEUBE-ZSJMHYJMSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC001330288708 1050994041 /nfs/dbraw/zinc/99/40/41/1050994041.db2.gz HDAWHEBNJCEUBE-SNWXZZBVSA-N 2 1 398.595 3.603 20 0 GHADMP CCN(C(=O)Nc1cc(C[NH+](C)C)ccn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311077885 1051833070 /nfs/dbraw/zinc/83/30/70/1051833070.db2.gz VZWDCNSDYUCGFY-NQIIRXRSSA-N 2 1 395.551 3.833 20 0 GHADMP CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311419013 1052122501 /nfs/dbraw/zinc/12/25/01/1052122501.db2.gz QAZIQGWKPSKXAK-IFMALSPDSA-N 2 1 388.600 3.972 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC001335888649 1052197369 /nfs/dbraw/zinc/19/73/69/1052197369.db2.gz ADGYLJQJIBNYRO-IBGZPJMESA-N 2 1 391.393 3.903 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC001311553701 1052240762 /nfs/dbraw/zinc/24/07/62/1052240762.db2.gz GQUUSHKFQFNAGH-OAQYLSRUSA-N 2 1 394.563 3.597 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001311553701 1052240771 /nfs/dbraw/zinc/24/07/71/1052240771.db2.gz GQUUSHKFQFNAGH-OAQYLSRUSA-N 2 1 394.563 3.597 20 0 GHADMP C[C@@](O)(C[NH2+][C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1Cl ZINC001336840437 1052347456 /nfs/dbraw/zinc/34/74/56/1052347456.db2.gz UCUYGFJESGADDB-JKIFEVAISA-N 2 1 387.749 3.526 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CC1 ZINC001312558491 1052790544 /nfs/dbraw/zinc/79/05/44/1052790544.db2.gz HWKJVAREUNBGCN-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC001312558649 1052791235 /nfs/dbraw/zinc/79/12/35/1052791235.db2.gz UUSGKAIJVZETII-OAQYLSRUSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001312558649 1052791241 /nfs/dbraw/zinc/79/12/41/1052791241.db2.gz UUSGKAIJVZETII-OAQYLSRUSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC001312558649 1052791243 /nfs/dbraw/zinc/79/12/43/1052791243.db2.gz UUSGKAIJVZETII-OAQYLSRUSA-N 2 1 388.600 3.659 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001312815594 1052879166 /nfs/dbraw/zinc/87/91/66/1052879166.db2.gz MDJWFBJVRYJASU-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001312931929 1052914341 /nfs/dbraw/zinc/91/43/41/1052914341.db2.gz GBFGNDVBLDJDBS-PMACEKPBSA-N 2 1 392.613 3.618 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1)CC(C)C ZINC001313000363 1052930354 /nfs/dbraw/zinc/93/03/54/1052930354.db2.gz UKBVHZCMWVKQPG-HXUWFJFHSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1)CC(C)C ZINC001313000363 1052930360 /nfs/dbraw/zinc/93/03/60/1052930360.db2.gz UKBVHZCMWVKQPG-HXUWFJFHSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1)CC(C)C ZINC001313000363 1052930362 /nfs/dbraw/zinc/93/03/62/1052930362.db2.gz UKBVHZCMWVKQPG-HXUWFJFHSA-N 2 1 380.621 3.649 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001313023656 1052936461 /nfs/dbraw/zinc/93/64/61/1052936461.db2.gz PLNBUCGVQVFLRT-GOTSBHOMSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001313023656 1052936464 /nfs/dbraw/zinc/93/64/64/1052936464.db2.gz PLNBUCGVQVFLRT-GOTSBHOMSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001313023656 1052936468 /nfs/dbraw/zinc/93/64/68/1052936468.db2.gz PLNBUCGVQVFLRT-GOTSBHOMSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC001313174023 1052976714 /nfs/dbraw/zinc/97/67/14/1052976714.db2.gz YFUBAFBNYVYTBM-SZPZYZBQSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001313174023 1052976716 /nfs/dbraw/zinc/97/67/16/1052976716.db2.gz YFUBAFBNYVYTBM-SZPZYZBQSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001313174023 1052976720 /nfs/dbraw/zinc/97/67/20/1052976720.db2.gz YFUBAFBNYVYTBM-SZPZYZBQSA-N 2 1 390.616 3.880 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001313178884 1052978605 /nfs/dbraw/zinc/97/86/05/1052978605.db2.gz GABCQMNJERNXNU-BYUXKFDVSA-N 2 1 386.584 3.554 20 0 GHADMP CC[N@@H+](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001313816238 1053243575 /nfs/dbraw/zinc/24/35/75/1053243575.db2.gz TWPKVGBJTZAQBQ-MOPGFXCFSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)C(C)C ZINC001313816238 1053243584 /nfs/dbraw/zinc/24/35/84/1053243584.db2.gz TWPKVGBJTZAQBQ-MOPGFXCFSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001313816238 1053243591 /nfs/dbraw/zinc/24/35/91/1053243591.db2.gz TWPKVGBJTZAQBQ-MOPGFXCFSA-N 2 1 390.620 3.585 20 0 GHADMP Cc1c(C(=O)OC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001344598068 1054589986 /nfs/dbraw/zinc/58/99/86/1054589986.db2.gz ZYYNNSASMPNKED-HSZRJFAPSA-N 2 1 390.487 3.787 20 0 GHADMP Cc1c(C(=O)OC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001344598068 1054590002 /nfs/dbraw/zinc/59/00/02/1054590002.db2.gz ZYYNNSASMPNKED-HSZRJFAPSA-N 2 1 390.487 3.787 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318409988 1054618705 /nfs/dbraw/zinc/61/87/05/1054618705.db2.gz NNRHGPIXYRAMAM-QHCPKHFHSA-N 2 1 398.595 3.597 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318409988 1054618714 /nfs/dbraw/zinc/61/87/14/1054618714.db2.gz NNRHGPIXYRAMAM-QHCPKHFHSA-N 2 1 398.595 3.597 20 0 GHADMP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001318480881 1054667028 /nfs/dbraw/zinc/66/70/28/1054667028.db2.gz XOCTUCVPHQUPSH-SFHVURJKSA-N 2 1 393.466 3.566 20 0 GHADMP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001318480881 1054667042 /nfs/dbraw/zinc/66/70/42/1054667042.db2.gz XOCTUCVPHQUPSH-SFHVURJKSA-N 2 1 393.466 3.566 20 0 GHADMP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001318480879 1054667746 /nfs/dbraw/zinc/66/77/46/1054667746.db2.gz XOCTUCVPHQUPSH-GOSISDBHSA-N 2 1 393.466 3.566 20 0 GHADMP Cc1nccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001318480879 1054667748 /nfs/dbraw/zinc/66/77/48/1054667748.db2.gz XOCTUCVPHQUPSH-GOSISDBHSA-N 2 1 393.466 3.566 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)C1 ZINC001318585272 1054732971 /nfs/dbraw/zinc/73/29/71/1054732971.db2.gz LIPRUWSAVBSVLF-AKIFATBCSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)C1 ZINC001318585272 1054732980 /nfs/dbraw/zinc/73/29/80/1054732980.db2.gz LIPRUWSAVBSVLF-AKIFATBCSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)C1 ZINC001318585272 1054732997 /nfs/dbraw/zinc/73/29/97/1054732997.db2.gz LIPRUWSAVBSVLF-AKIFATBCSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)C1 ZINC001318585272 1054733018 /nfs/dbraw/zinc/73/30/18/1054733018.db2.gz LIPRUWSAVBSVLF-AKIFATBCSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCC1)c1ccccc1 ZINC001318652715 1054774334 /nfs/dbraw/zinc/77/43/34/1054774334.db2.gz GOGNLEPLUNQNRF-HXUWFJFHSA-N 2 1 379.548 3.898 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCC1)c1ccccc1 ZINC001318652715 1054774347 /nfs/dbraw/zinc/77/43/47/1054774347.db2.gz GOGNLEPLUNQNRF-HXUWFJFHSA-N 2 1 379.548 3.898 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001320176868 1055692637 /nfs/dbraw/zinc/69/26/37/1055692637.db2.gz NLLJMHVGWUMJDO-YADHBBJMSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001320176868 1055692641 /nfs/dbraw/zinc/69/26/41/1055692641.db2.gz NLLJMHVGWUMJDO-YADHBBJMSA-N 2 1 381.495 3.597 20 0 GHADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001300786678 1057025714 /nfs/dbraw/zinc/02/57/14/1057025714.db2.gz XRAFQPNJTAHMEH-IRLDBZIGSA-N 2 1 383.580 3.525 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC001323976529 1057047894 /nfs/dbraw/zinc/04/78/94/1057047894.db2.gz HWYVZGVBNGWTTK-GJZGRUSLSA-N 2 1 387.446 3.624 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481309 1057117743 /nfs/dbraw/zinc/11/77/43/1057117743.db2.gz APHCQOIRAYUXCJ-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481309 1057117748 /nfs/dbraw/zinc/11/77/48/1057117748.db2.gz APHCQOIRAYUXCJ-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481309 1057117752 /nfs/dbraw/zinc/11/77/52/1057117752.db2.gz APHCQOIRAYUXCJ-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481309 1057117756 /nfs/dbraw/zinc/11/77/56/1057117756.db2.gz APHCQOIRAYUXCJ-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)OCCO2 ZINC001355320115 1057118342 /nfs/dbraw/zinc/11/83/42/1057118342.db2.gz AZWSEJLBKBDNQD-RFQIGKHKSA-N 2 1 388.527 3.795 20 0 GHADMP CC(C)c1ccccc1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000848531557 1057153447 /nfs/dbraw/zinc/15/34/47/1057153447.db2.gz SICJGVKPDRADMZ-UHFFFAOYSA-N 2 1 395.547 3.761 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000848572754 1057188119 /nfs/dbraw/zinc/18/81/19/1057188119.db2.gz LUGBJPNVOFUQTN-WBDAEOGXSA-N 2 1 378.516 3.687 20 0 GHADMP CCC1([NH+](C)C)CCN(c2nnc([C@H]3CCCC[N@H+]3C3CCCC3)n2C)CC1 ZINC001355723686 1057260034 /nfs/dbraw/zinc/26/00/34/1057260034.db2.gz DHLBSOOMZGFFEZ-LJQANCHMSA-N 2 1 388.604 3.595 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000848990078 1057494993 /nfs/dbraw/zinc/49/49/93/1057494993.db2.gz XLWDGRHMVCLMQA-HKUYNNGSSA-N 2 1 396.535 3.941 20 0 GHADMP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001441350737 1058756971 /nfs/dbraw/zinc/75/69/71/1058756971.db2.gz VKWVINKPAIZZIA-XZOQPEGZSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC001441354510 1058759267 /nfs/dbraw/zinc/75/92/67/1058759267.db2.gz LKBVWSWTOUTBKO-LJQANCHMSA-N 2 1 383.580 3.799 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC001442596107 1058981556 /nfs/dbraw/zinc/98/15/56/1058981556.db2.gz URINLLRMVXBMET-DNQXCXABSA-N 2 1 391.559 3.770 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2)CC1 ZINC001339175643 1058993324 /nfs/dbraw/zinc/99/33/24/1058993324.db2.gz XVOHJLUETQAYEM-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001446192022 1059724873 /nfs/dbraw/zinc/72/48/73/1059724873.db2.gz FMXPALIECLOXIO-GOTSBHOMSA-N 2 1 395.522 3.987 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001446192022 1059724890 /nfs/dbraw/zinc/72/48/90/1059724890.db2.gz FMXPALIECLOXIO-GOTSBHOMSA-N 2 1 395.522 3.987 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001446719797 1059839561 /nfs/dbraw/zinc/83/95/61/1059839561.db2.gz ZAHIKZIJQLPEBM-USWKJHDZSA-N 2 1 383.580 3.524 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102352 1059928205 /nfs/dbraw/zinc/92/82/05/1059928205.db2.gz DDTKYLVOPYRYOC-FUHIMQAGSA-N 2 1 395.950 3.710 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102352 1059928206 /nfs/dbraw/zinc/92/82/06/1059928206.db2.gz DDTKYLVOPYRYOC-FUHIMQAGSA-N 2 1 395.950 3.710 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102352 1059928209 /nfs/dbraw/zinc/92/82/09/1059928209.db2.gz DDTKYLVOPYRYOC-FUHIMQAGSA-N 2 1 395.950 3.710 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001452135725 1060904293 /nfs/dbraw/zinc/90/42/93/1060904293.db2.gz PVBARECNYINBMJ-QHCPKHFHSA-N 2 1 385.596 3.866 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccccc3N3CCC(C[NH+](C)C)CC3)C[N@H+]2C1 ZINC001346947081 1062000679 /nfs/dbraw/zinc/00/06/79/1062000679.db2.gz HILHFDYQOLFQHO-NRSPTQNISA-N 2 1 398.595 3.524 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC001459422591 1064094749 /nfs/dbraw/zinc/09/47/49/1064094749.db2.gz BLDGBRGVUGBRMD-QFIPXVFZSA-N 2 1 385.596 3.868 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C3CCC(C)(C)CC3)cc2)CC1 ZINC001459669649 1064161418 /nfs/dbraw/zinc/16/14/18/1064161418.db2.gz KKKHIAOPGPDXMX-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(Cl)c1 ZINC001459742252 1064196528 /nfs/dbraw/zinc/19/65/28/1064196528.db2.gz MZVWDVSTIGGIKR-RZUBCFFCSA-N 2 1 397.950 3.533 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(Cl)c1 ZINC001459742252 1064196534 /nfs/dbraw/zinc/19/65/34/1064196534.db2.gz MZVWDVSTIGGIKR-RZUBCFFCSA-N 2 1 397.950 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001459786158 1064216812 /nfs/dbraw/zinc/21/68/12/1064216812.db2.gz KEKPMXUYTMJJGF-DYXWJJEUSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001459786158 1064216818 /nfs/dbraw/zinc/21/68/18/1064216818.db2.gz KEKPMXUYTMJJGF-DYXWJJEUSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001459786158 1064216823 /nfs/dbraw/zinc/21/68/23/1064216823.db2.gz KEKPMXUYTMJJGF-DYXWJJEUSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NCC3(c4ccccc4)CCCCC3)C2)CC1 ZINC001460017466 1064348680 /nfs/dbraw/zinc/34/86/80/1064348680.db2.gz GNVXCNPHBFWQPV-UHFFFAOYSA-N 2 1 397.607 3.813 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001463694606 1064555067 /nfs/dbraw/zinc/55/50/67/1064555067.db2.gz TUFDSGUAIDLHIF-DHIUTWEWSA-N 2 1 379.548 3.769 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001464551114 1065075460 /nfs/dbraw/zinc/07/54/60/1065075460.db2.gz LVLANZOUGPATTP-MDNUFGMLSA-N 2 1 385.596 3.771 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4C)cc2)C1 ZINC001467605149 1067382101 /nfs/dbraw/zinc/38/21/01/1067382101.db2.gz FEWLMIRZODRNBI-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)cc2)C1 ZINC001467605149 1067382110 /nfs/dbraw/zinc/38/21/10/1067382110.db2.gz FEWLMIRZODRNBI-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cc2)C1 ZINC001467605149 1067382121 /nfs/dbraw/zinc/38/21/21/1067382121.db2.gz FEWLMIRZODRNBI-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[NH+](C)C1(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCCCCC1 ZINC001467750144 1067450779 /nfs/dbraw/zinc/45/07/79/1067450779.db2.gz HHTQSSRANABIEA-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC001468160084 1067614472 /nfs/dbraw/zinc/61/44/72/1067614472.db2.gz HEDOMNFXBZGAKP-NRFANRHFSA-N 2 1 386.584 3.735 20 0 GHADMP CCC[NH+]1CC[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC001468160084 1067614476 /nfs/dbraw/zinc/61/44/76/1067614476.db2.gz HEDOMNFXBZGAKP-NRFANRHFSA-N 2 1 386.584 3.735 20 0 GHADMP CCC[NH+]1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC001468160084 1067614482 /nfs/dbraw/zinc/61/44/82/1067614482.db2.gz HEDOMNFXBZGAKP-NRFANRHFSA-N 2 1 386.584 3.735 20 0 GHADMP CC[C@@](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)(C(=O)OC)c1ccccc1 ZINC001474576144 1067712425 /nfs/dbraw/zinc/71/24/25/1067712425.db2.gz JSVUAFJWPYIIJH-DEOSSOPVSA-N 2 1 380.532 3.762 20 0 GHADMP Cc1ccc(Cl)c(NC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000849276807 1067784144 /nfs/dbraw/zinc/78/41/44/1067784144.db2.gz PXMKYLZYHBWYHJ-ZDUSSCGKSA-N 2 1 391.412 3.860 20 0 GHADMP Cc1ccc(Cl)c(NC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000849276807 1067784149 /nfs/dbraw/zinc/78/41/49/1067784149.db2.gz PXMKYLZYHBWYHJ-ZDUSSCGKSA-N 2 1 391.412 3.860 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@@H]1C ZINC001468947302 1067935129 /nfs/dbraw/zinc/93/51/29/1067935129.db2.gz NTRONAWKIXAXQW-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001468947302 1067935131 /nfs/dbraw/zinc/93/51/31/1067935131.db2.gz NTRONAWKIXAXQW-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001468947302 1067935134 /nfs/dbraw/zinc/93/51/34/1067935134.db2.gz NTRONAWKIXAXQW-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)c1ccccc1 ZINC001477905480 1078620658 /nfs/dbraw/zinc/62/06/58/1078620658.db2.gz HMQQHGMMXKOQOV-DYESRHJHSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)c1ccccc1 ZINC001477905480 1078620664 /nfs/dbraw/zinc/62/06/64/1078620664.db2.gz HMQQHGMMXKOQOV-DYESRHJHSA-N 2 1 380.536 3.602 20 0 GHADMP CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001469706450 1068324916 /nfs/dbraw/zinc/32/49/16/1068324916.db2.gz CPKJWHISFOMLRC-CZTZKLFOSA-N 2 1 388.600 3.517 20 0 GHADMP CC(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001469706450 1068324926 /nfs/dbraw/zinc/32/49/26/1068324926.db2.gz CPKJWHISFOMLRC-CZTZKLFOSA-N 2 1 388.600 3.517 20 0 GHADMP CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001469706453 1068325314 /nfs/dbraw/zinc/32/53/14/1068325314.db2.gz CPKJWHISFOMLRC-VCOUNFBDSA-N 2 1 388.600 3.517 20 0 GHADMP CC(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001469706453 1068325329 /nfs/dbraw/zinc/32/53/29/1068325329.db2.gz CPKJWHISFOMLRC-VCOUNFBDSA-N 2 1 388.600 3.517 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[NH+]2C1)Cc1ccccc1 ZINC001469843237 1068424150 /nfs/dbraw/zinc/42/41/50/1068424150.db2.gz DVPIGLKHNGHWKV-YMPZKCBVSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1)Cc1ccccc1 ZINC001469843237 1068424157 /nfs/dbraw/zinc/42/41/57/1068424157.db2.gz DVPIGLKHNGHWKV-YMPZKCBVSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1)Cc1ccccc1 ZINC001469843237 1068424165 /nfs/dbraw/zinc/42/41/65/1068424165.db2.gz DVPIGLKHNGHWKV-YMPZKCBVSA-N 2 1 385.596 3.915 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[NH+](C)C(C)(C)CC1)c1ccc(Cl)cc1 ZINC001470126869 1068584585 /nfs/dbraw/zinc/58/45/85/1068584585.db2.gz BWXZGJLXEJPBMH-LJQANCHMSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccc(Cl)cc1 ZINC001470126869 1068584598 /nfs/dbraw/zinc/58/45/98/1068584598.db2.gz BWXZGJLXEJPBMH-LJQANCHMSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)c1ccc(Cl)cc1 ZINC001470126869 1068584609 /nfs/dbraw/zinc/58/46/09/1068584609.db2.gz BWXZGJLXEJPBMH-LJQANCHMSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H](CC)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001478192461 1078760191 /nfs/dbraw/zinc/76/01/91/1078760191.db2.gz QZJBWHSBLAKWEH-WOJBJXKFSA-N 2 1 394.991 3.897 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001470364679 1068701742 /nfs/dbraw/zinc/70/17/42/1068701742.db2.gz VQOBYFBSYOOGIG-UXHICEINSA-N 2 1 380.621 3.793 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001470364679 1068701752 /nfs/dbraw/zinc/70/17/52/1068701752.db2.gz VQOBYFBSYOOGIG-UXHICEINSA-N 2 1 380.621 3.793 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001470364679 1068701766 /nfs/dbraw/zinc/70/17/66/1068701766.db2.gz VQOBYFBSYOOGIG-UXHICEINSA-N 2 1 380.621 3.793 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001460670423 1069074223 /nfs/dbraw/zinc/07/42/23/1069074223.db2.gz IWSSLJHBRLVXID-UHFFFAOYSA-N 2 1 395.975 3.977 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001471062659 1072910019 /nfs/dbraw/zinc/91/00/19/1072910019.db2.gz CRFQOQLMPFVKRK-PKTZIBPZSA-N 2 1 379.548 3.850 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001471062659 1072910020 /nfs/dbraw/zinc/91/00/20/1072910020.db2.gz CRFQOQLMPFVKRK-PKTZIBPZSA-N 2 1 379.548 3.850 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001471631650 1073164323 /nfs/dbraw/zinc/16/43/23/1073164323.db2.gz OVHHWQPOKOEJDL-QHCPKHFHSA-N 2 1 383.580 3.764 20 0 GHADMP CS[C@@H]1CN(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C[C@H]1[NH+](C)C ZINC001473351345 1073931951 /nfs/dbraw/zinc/93/19/51/1073931951.db2.gz IWHMUJONRLCAGT-WXFUMESZSA-N 2 1 397.632 3.880 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C)[C@H](C)C1 ZINC001473407095 1073952635 /nfs/dbraw/zinc/95/26/35/1073952635.db2.gz NIXWGWVRMIYZJX-VQIMIIECSA-N 2 1 383.374 3.984 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001473717747 1074105332 /nfs/dbraw/zinc/10/53/32/1074105332.db2.gz ZOPMVYNHALSZSC-LOSJGSFVSA-N 2 1 399.623 3.864 20 0 GHADMP Cc1ccc([C@H]2CC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2(C)C)cc1 ZINC001473750530 1074122970 /nfs/dbraw/zinc/12/29/70/1074122970.db2.gz JVJCNWFJSJRPPM-DHIUTWEWSA-N 2 1 393.575 3.982 20 0 GHADMP CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC001473975220 1074223489 /nfs/dbraw/zinc/22/34/89/1074223489.db2.gz VVFCCGFZRMAJLJ-SIKLNZKXSA-N 2 1 392.609 3.940 20 0 GHADMP C[C@H](CC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[NH+]1CCCCC1 ZINC001474109130 1074266139 /nfs/dbraw/zinc/26/61/39/1074266139.db2.gz OZCCXHMMYQTIFB-MRXNPFEDSA-N 2 1 391.357 3.989 20 0 GHADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001474200730 1074291134 /nfs/dbraw/zinc/29/11/34/1074291134.db2.gz XBXWRBAWRFRTHA-UHFFFAOYSA-N 2 1 385.375 3.968 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC001474200730 1074291140 /nfs/dbraw/zinc/29/11/40/1074291140.db2.gz XBXWRBAWRFRTHA-UHFFFAOYSA-N 2 1 385.375 3.968 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001474317048 1074339244 /nfs/dbraw/zinc/33/92/44/1074339244.db2.gz HPLRJRYPRCQWNW-ILXRZTDVSA-N 2 1 381.483 3.637 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001474317048 1074339253 /nfs/dbraw/zinc/33/92/53/1074339253.db2.gz HPLRJRYPRCQWNW-ILXRZTDVSA-N 2 1 381.483 3.637 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001474317048 1074339262 /nfs/dbraw/zinc/33/92/62/1074339262.db2.gz HPLRJRYPRCQWNW-ILXRZTDVSA-N 2 1 381.483 3.637 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001474317048 1074339272 /nfs/dbraw/zinc/33/92/72/1074339272.db2.gz HPLRJRYPRCQWNW-ILXRZTDVSA-N 2 1 381.483 3.637 20 0 GHADMP Brc1c[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001474373834 1074369661 /nfs/dbraw/zinc/36/96/61/1074369661.db2.gz FIUZGOUGKXDAHM-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP Brc1c[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001474373834 1074369668 /nfs/dbraw/zinc/36/96/68/1074369668.db2.gz FIUZGOUGKXDAHM-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001474592865 1074475513 /nfs/dbraw/zinc/47/55/13/1074475513.db2.gz WVNINYFDBVZJCW-GOSISDBHSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1c(F)ccc(C3OCCO3)c1Cl)CC2 ZINC001474660669 1074504059 /nfs/dbraw/zinc/50/40/59/1074504059.db2.gz RUTYXRVXSDGLQC-UHFFFAOYSA-N 2 1 382.907 3.832 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001495489522 1079410663 /nfs/dbraw/zinc/41/06/63/1079410663.db2.gz TUMNSQHUSWVDLR-AZUAARDMSA-N 2 1 390.620 3.633 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724645 720396032 /nfs/dbraw/zinc/39/60/32/720396032.db2.gz KBIDARQJOHOJEY-WOJBJXKFSA-N 2 1 397.954 3.579 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724645 720396041 /nfs/dbraw/zinc/39/60/41/720396041.db2.gz KBIDARQJOHOJEY-WOJBJXKFSA-N 2 1 397.954 3.579 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001164836273 720533509 /nfs/dbraw/zinc/53/35/09/720533509.db2.gz JJDLPCQNWGHTIW-URVUXULASA-N 2 1 379.552 3.535 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001164836273 720533515 /nfs/dbraw/zinc/53/35/15/720533515.db2.gz JJDLPCQNWGHTIW-URVUXULASA-N 2 1 379.552 3.535 20 0 GHADMP Cc1cccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164776112 721329348 /nfs/dbraw/zinc/32/93/48/721329348.db2.gz COKWDYTYZWBGQA-VWNXMTODSA-N 2 1 392.547 3.643 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC001165037259 721895968 /nfs/dbraw/zinc/89/59/68/721895968.db2.gz XEBHPVXOKIAUKJ-INIZCTEOSA-N 2 1 375.586 3.680 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5[nH]ccc54)CC3)C2)cc1 ZINC001164938791 721921189 /nfs/dbraw/zinc/92/11/89/721921189.db2.gz RHLXGCQTXQTTIZ-UHFFFAOYSA-N 2 1 376.504 3.743 20 0 GHADMP CC[NH+](CC)C1CCN(c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001165052748 722003556 /nfs/dbraw/zinc/00/35/56/722003556.db2.gz AJNIJVYVBJUIRR-UHFFFAOYSA-N 2 1 381.499 3.929 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471384206 837453805 /nfs/dbraw/zinc/45/38/05/837453805.db2.gz NSOJPHGXVHSOFE-OAQYLSRUSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471384206 837453810 /nfs/dbraw/zinc/45/38/10/837453810.db2.gz NSOJPHGXVHSOFE-OAQYLSRUSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471384206 837453816 /nfs/dbraw/zinc/45/38/16/837453816.db2.gz NSOJPHGXVHSOFE-OAQYLSRUSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000655723521 837740425 /nfs/dbraw/zinc/74/04/25/837740425.db2.gz PCKQEVTXTUIFFU-OXQOHEQNSA-N 2 1 376.516 3.909 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655733019 837771053 /nfs/dbraw/zinc/77/10/53/837771053.db2.gz HYVJHXLNWBZQMI-MAUKXSAKSA-N 2 1 381.358 3.613 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000274619219 834494173 /nfs/dbraw/zinc/49/41/73/834494173.db2.gz VUSKPJVSXDJDPR-IHOQQJHYSA-N 2 1 379.548 3.855 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000274619219 834494179 /nfs/dbraw/zinc/49/41/79/834494179.db2.gz VUSKPJVSXDJDPR-IHOQQJHYSA-N 2 1 379.548 3.855 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)c1 ZINC000583495113 834502439 /nfs/dbraw/zinc/50/24/39/834502439.db2.gz QHEZCBQCCTXRIT-WOJBJXKFSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)c1 ZINC000583495113 834502446 /nfs/dbraw/zinc/50/24/46/834502446.db2.gz QHEZCBQCCTXRIT-WOJBJXKFSA-N 2 1 388.577 3.606 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000654747160 834506568 /nfs/dbraw/zinc/50/65/68/834506568.db2.gz XXCYNHRIKWWGGQ-JOCHJYFZSA-N 2 1 397.607 3.664 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000654767760 834523116 /nfs/dbraw/zinc/52/31/16/834523116.db2.gz NUXMZVKKSDONJP-QHCPKHFHSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000654767760 834523124 /nfs/dbraw/zinc/52/31/24/834523124.db2.gz NUXMZVKKSDONJP-QHCPKHFHSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000654767760 834523132 /nfs/dbraw/zinc/52/31/32/834523132.db2.gz NUXMZVKKSDONJP-QHCPKHFHSA-N 2 1 379.548 3.665 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OC ZINC000650706761 834543413 /nfs/dbraw/zinc/54/34/13/834543413.db2.gz RVBCXTDUYAMYCL-WBKMXMRLSA-N 2 1 376.541 3.591 20 0 GHADMP CCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000655738027 837782394 /nfs/dbraw/zinc/78/23/94/837782394.db2.gz QVGJUVZJAPKGQC-HSZRJFAPSA-N 3 1 385.596 3.522 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OCC ZINC000650708407 834554171 /nfs/dbraw/zinc/55/41/71/834554171.db2.gz ZEBBGDAUKAMMRE-ONTIZHBOSA-N 2 1 390.568 3.983 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000650707271 834554406 /nfs/dbraw/zinc/55/44/06/834554406.db2.gz BZDHDRGOTVARBC-FVJLSDCUSA-N 2 1 377.960 3.659 20 0 GHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707505 834555776 /nfs/dbraw/zinc/55/57/76/834555776.db2.gz HLNICROSNJKQEJ-DWLFOUALSA-N 2 1 396.579 3.888 20 0 GHADMP C[C@H]1C[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000089595065 834594669 /nfs/dbraw/zinc/59/46/69/834594669.db2.gz OMCIHZJMYCXVCC-GMAHTHKFSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879901 834622025 /nfs/dbraw/zinc/62/20/25/834622025.db2.gz JVWPOBMLWSPGGE-IPJJNNNSSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879901 834622028 /nfs/dbraw/zinc/62/20/28/834622028.db2.gz JVWPOBMLWSPGGE-IPJJNNNSSA-N 2 1 375.520 3.971 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCSCC2)c1)C1CCOCC1 ZINC000657867500 834679473 /nfs/dbraw/zinc/67/94/73/834679473.db2.gz HBRVGIZYFUZLFA-LJQANCHMSA-N 2 1 378.582 3.552 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000650722654 834691072 /nfs/dbraw/zinc/69/10/72/834691072.db2.gz YSLMYXGLSZEKOP-QKNQBKEWSA-N 2 1 376.541 3.735 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723404 834703157 /nfs/dbraw/zinc/70/31/57/834703157.db2.gz NJPUDDDYPVSZJX-NRSPTQNISA-N 2 1 388.943 3.695 20 0 GHADMP COc1cc2ccc([C@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)cc2cc1OC ZINC000657869932 834767072 /nfs/dbraw/zinc/76/70/72/834767072.db2.gz ANPJLQZVWKNJRS-SFHVURJKSA-N 2 1 385.552 3.535 20 0 GHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044913428 834806903 /nfs/dbraw/zinc/80/69/03/834806903.db2.gz NJLPGLMQHWLLTM-UHFFFAOYSA-N 2 1 398.378 3.808 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000510068766 834831677 /nfs/dbraw/zinc/83/16/77/834831677.db2.gz CQOSGJNDUCWMDF-RBBKRZOGSA-N 2 1 392.609 3.897 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511265687 834908290 /nfs/dbraw/zinc/90/82/90/834908290.db2.gz MANKUYYMJZXKSF-PMACEKPBSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1sccc1Br ZINC000537944824 834921685 /nfs/dbraw/zinc/92/16/85/834921685.db2.gz OMIRIELARBHGTQ-LBPRGKRZSA-N 2 1 384.343 3.697 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000130265720 835011530 /nfs/dbraw/zinc/01/15/30/835011530.db2.gz SENNLFCIMQNCOK-MRXNPFEDSA-N 2 1 378.476 3.729 20 0 GHADMP C[NH+](C)CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCC1 ZINC000151146925 835049771 /nfs/dbraw/zinc/04/97/71/835049771.db2.gz PIRJISOXJRUSHH-FXAWDEMLSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]CC2CCC(C(F)(F)F)CC2)c2cccs2)CC1 ZINC000545220630 835080851 /nfs/dbraw/zinc/08/08/51/835080851.db2.gz UYNCUFJBQGBJSA-JCYILVPMSA-N 2 1 389.531 3.995 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c(C(C)C)cc1Cl ZINC000583866708 835174164 /nfs/dbraw/zinc/17/41/64/835174164.db2.gz DSGMDPQOMDPSKM-SFHVURJKSA-N 2 1 380.960 3.728 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685606102 835217945 /nfs/dbraw/zinc/21/79/45/835217945.db2.gz NJHFEXIDLBTHOP-NHCUHLMSSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685606102 835217952 /nfs/dbraw/zinc/21/79/52/835217952.db2.gz NJHFEXIDLBTHOP-NHCUHLMSSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685606102 835217956 /nfs/dbraw/zinc/21/79/56/835217956.db2.gz NJHFEXIDLBTHOP-NHCUHLMSSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000685606102 835217963 /nfs/dbraw/zinc/21/79/63/835217963.db2.gz NJHFEXIDLBTHOP-NHCUHLMSSA-N 2 1 390.531 3.586 20 0 GHADMP O=C(NC1CC1)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000685632444 835240624 /nfs/dbraw/zinc/24/06/24/835240624.db2.gz SUIGISQOMBVIIX-JOCHJYFZSA-N 2 1 391.559 3.971 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000430235902 835314373 /nfs/dbraw/zinc/31/43/73/835314373.db2.gz FWSYIBPYARMOSL-UPVQGACJSA-N 2 1 398.595 3.701 20 0 GHADMP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683229766 835325466 /nfs/dbraw/zinc/32/54/66/835325466.db2.gz WENLMUUAUYZIEJ-CJOZULMCSA-N 2 1 382.523 3.792 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092574 835417426 /nfs/dbraw/zinc/41/74/26/835417426.db2.gz QNDFTESIYPZOMU-CZUORRHYSA-N 2 1 382.346 3.629 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCS2 ZINC000658142911 835452963 /nfs/dbraw/zinc/45/29/63/835452963.db2.gz ZVSDTBWWNLGLFS-GHTZIAJQSA-N 2 1 384.545 3.589 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658141308 835453101 /nfs/dbraw/zinc/45/31/01/835453101.db2.gz WQDYATRYTGLEGP-CMIZEVDMSA-N 2 1 380.532 3.544 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000512983824 844054697 /nfs/dbraw/zinc/05/46/97/844054697.db2.gz XHSGEIJDCBDAOB-SFHVURJKSA-N 2 1 380.374 3.719 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139944 835464855 /nfs/dbraw/zinc/46/48/55/835464855.db2.gz OWVYWJXEHSXPNA-GHTZIAJQSA-N 2 1 386.923 3.910 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1OC(F)F ZINC000658141056 835466683 /nfs/dbraw/zinc/46/66/83/835466683.db2.gz BGOWTRHMJQIICD-YJBOKZPZSA-N 2 1 376.447 3.705 20 0 GHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658140875 835467362 /nfs/dbraw/zinc/46/73/62/835467362.db2.gz VTLQVAWTKZOJIE-BJKOFHAPSA-N 2 1 382.548 3.584 20 0 GHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658140878 835467437 /nfs/dbraw/zinc/46/74/37/835467437.db2.gz VTLQVAWTKZOJIE-DNQXCXABSA-N 2 1 382.548 3.584 20 0 GHADMP Brc1ccc(CC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000658210400 835511387 /nfs/dbraw/zinc/51/13/87/835511387.db2.gz XIDAAOWBTXNAMD-LJQANCHMSA-N 2 1 393.369 3.615 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](CC)CC)cc1 ZINC000458792612 835559233 /nfs/dbraw/zinc/55/92/33/835559233.db2.gz LNBCNSDNGCLHAK-NYVOZVTQSA-N 2 1 388.600 3.614 20 0 GHADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318639 835572335 /nfs/dbraw/zinc/57/23/35/835572335.db2.gz RDXOPVFBBHPXAH-XZOQPEGZSA-N 2 1 386.580 3.710 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cccnc4CC3)CC2)cs1 ZINC000421828845 835653645 /nfs/dbraw/zinc/65/36/45/835653645.db2.gz FOQATOUSYJUQTC-IBGZPJMESA-N 2 1 384.593 3.850 20 0 GHADMP COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1OCCO ZINC000151674434 835725789 /nfs/dbraw/zinc/72/57/89/835725789.db2.gz YTUNSCOVIWXNDC-IAGOWNOFSA-N 2 1 395.503 3.972 20 0 GHADMP CC[NH+](CC)[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)Cc1ccccc1 ZINC000151732046 835790257 /nfs/dbraw/zinc/79/02/57/835790257.db2.gz GLWBLJWMLJMBSR-DEOSSOPVSA-N 2 1 380.580 3.589 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274923187 835826306 /nfs/dbraw/zinc/82/63/06/835826306.db2.gz PMLFAKTVLRERLC-NZQKXSOJSA-N 2 1 391.559 3.809 20 0 GHADMP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1OC ZINC000584291871 835848258 /nfs/dbraw/zinc/84/82/58/835848258.db2.gz KZDXNIVJXVOCME-CALCHBBNSA-N 2 1 387.549 3.649 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221980 835975384 /nfs/dbraw/zinc/97/53/84/835975384.db2.gz YZKVVWXDOZHXHT-LBTNJELSSA-N 2 1 386.367 3.833 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000431647403 836068205 /nfs/dbraw/zinc/06/82/05/836068205.db2.gz IKJULYZLFKYQIC-HXUWFJFHSA-N 2 1 380.621 3.556 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000473274102 844130270 /nfs/dbraw/zinc/13/02/70/844130270.db2.gz SFNNNMLRPNODET-KCZVDYSFSA-N 2 1 397.607 3.914 20 0 GHADMP O=C(C[N@H+](Cc1ccccc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613370205 836223516 /nfs/dbraw/zinc/22/35/16/836223516.db2.gz NSYWFXSVZOLPSY-UHFFFAOYSA-N 2 1 377.532 3.563 20 0 GHADMP O=C(C[N@@H+](Cc1ccccc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613370205 836223533 /nfs/dbraw/zinc/22/35/33/836223533.db2.gz NSYWFXSVZOLPSY-UHFFFAOYSA-N 2 1 377.532 3.563 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483492 844154191 /nfs/dbraw/zinc/15/41/91/844154191.db2.gz XDJYVQXXIYGEJN-ZTCOLXNVSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483492 844154195 /nfs/dbraw/zinc/15/41/95/844154195.db2.gz XDJYVQXXIYGEJN-ZTCOLXNVSA-N 2 1 391.559 3.850 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000174787420 836560730 /nfs/dbraw/zinc/56/07/30/836560730.db2.gz ZXHUWJAKLPEMTH-IBGZPJMESA-N 2 1 390.572 3.745 20 0 GHADMP C[C@@H]1CC(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000431691261 836845070 /nfs/dbraw/zinc/84/50/70/836845070.db2.gz MAZIZMDTJWFAMO-OALUTQOASA-N 2 1 392.632 3.649 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000067222981 844208159 /nfs/dbraw/zinc/20/81/59/844208159.db2.gz SQCMIWGQERJVOR-IBGZPJMESA-N 2 1 387.524 3.701 20 0 GHADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253632 836982510 /nfs/dbraw/zinc/98/25/10/836982510.db2.gz ZNFITNDZZUMGKT-FQEVSTJZSA-N 2 1 385.533 3.522 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482266 837073237 /nfs/dbraw/zinc/07/32/37/837073237.db2.gz ACKLMGADEZKORT-ZJSXRUAMSA-N 2 1 394.559 3.757 20 0 GHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482266 837073246 /nfs/dbraw/zinc/07/32/46/837073246.db2.gz ACKLMGADEZKORT-ZJSXRUAMSA-N 2 1 394.559 3.757 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482266 837073251 /nfs/dbraw/zinc/07/32/51/837073251.db2.gz ACKLMGADEZKORT-ZJSXRUAMSA-N 2 1 394.559 3.757 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482266 837073260 /nfs/dbraw/zinc/07/32/60/837073260.db2.gz ACKLMGADEZKORT-ZJSXRUAMSA-N 2 1 394.559 3.757 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482266 837073269 /nfs/dbraw/zinc/07/32/69/837073269.db2.gz ACKLMGADEZKORT-ZJSXRUAMSA-N 2 1 394.559 3.757 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000547828508 837162122 /nfs/dbraw/zinc/16/21/22/837162122.db2.gz RHCQWPGFLAYQDK-AUSIDOKSSA-N 2 1 379.548 3.827 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000644190347 837351091 /nfs/dbraw/zinc/35/10/91/837351091.db2.gz XYBLSRHTCNHVHW-MDNUFGMLSA-N 2 1 392.547 3.876 20 0 GHADMP CC[N@@H+](CCCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CCCCC1 ZINC000659042874 837366864 /nfs/dbraw/zinc/36/68/64/837366864.db2.gz WPEAYFLUHKCIKA-OAQYLSRUSA-N 2 1 388.556 3.514 20 0 GHADMP Brc1ccc(/C=C\C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655772770 837845232 /nfs/dbraw/zinc/84/52/32/837845232.db2.gz MMUZSOHMXXPQFT-PJXRAHGQSA-N 2 1 379.342 3.695 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000655780495 837871921 /nfs/dbraw/zinc/87/19/21/837871921.db2.gz PDYUKXISTDNPNX-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCSc2cccc(Cl)c2)CC1 ZINC000659863937 837910803 /nfs/dbraw/zinc/91/08/03/837910803.db2.gz JLSILUNZEYXKHH-HDICACEKSA-N 2 1 382.017 3.923 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659863937 837910814 /nfs/dbraw/zinc/91/08/14/837910814.db2.gz JLSILUNZEYXKHH-HDICACEKSA-N 2 1 382.017 3.923 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659863937 837910822 /nfs/dbraw/zinc/91/08/22/837910822.db2.gz JLSILUNZEYXKHH-HDICACEKSA-N 2 1 382.017 3.923 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000893086442 837995578 /nfs/dbraw/zinc/99/55/78/837995578.db2.gz PYODEKVZJQDIKG-ALOPSCKCSA-N 2 1 380.330 3.512 20 0 GHADMP FC(F)(F)CN1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579956275 838031586 /nfs/dbraw/zinc/03/15/86/838031586.db2.gz ADXYXYUJSKLFJL-RBUKOAKNSA-N 2 1 381.486 3.657 20 0 GHADMP FC(F)(F)CN1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579956275 838031595 /nfs/dbraw/zinc/03/15/95/838031595.db2.gz ADXYXYUJSKLFJL-RBUKOAKNSA-N 2 1 381.486 3.657 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535671318 844290488 /nfs/dbraw/zinc/29/04/88/844290488.db2.gz AZLPQWGPCXUTBK-URLQWDBASA-N 2 1 398.954 3.501 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535671318 844290492 /nfs/dbraw/zinc/29/04/92/844290492.db2.gz AZLPQWGPCXUTBK-URLQWDBASA-N 2 1 398.954 3.501 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3cccc4ccccc43)C2)CC1 ZINC000377912810 838151975 /nfs/dbraw/zinc/15/19/75/838151975.db2.gz OIOOAQOUDOIKLG-QFIPXVFZSA-N 2 1 381.564 3.709 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275643792 838167865 /nfs/dbraw/zinc/16/78/65/838167865.db2.gz LZKNBFMRNBDNAE-UHFFFAOYSA-N 2 1 382.552 3.953 20 0 GHADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1Cl ZINC000659291307 838215833 /nfs/dbraw/zinc/21/58/33/838215833.db2.gz GNPPSIVZGRJONI-KSSFIOAISA-N 2 1 384.351 3.731 20 0 GHADMP C[C@@H](c1ccc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1)[NH+]1CCOCC1 ZINC000659291644 838216971 /nfs/dbraw/zinc/21/69/71/838216971.db2.gz IPHSLIAEHSGZPK-UWJYYQICSA-N 2 1 393.531 3.711 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415907604 838261659 /nfs/dbraw/zinc/26/16/59/838261659.db2.gz BMVYDSNSWDSMNY-JTHBVZDNSA-N 2 1 392.547 3.924 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000651220337 838276352 /nfs/dbraw/zinc/27/63/52/838276352.db2.gz BMJXUZTYQFDAPZ-UHFFFAOYSA-N 2 1 378.605 3.691 20 0 GHADMP CN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415962291 838319379 /nfs/dbraw/zinc/31/93/79/838319379.db2.gz SRCNXTDNFXGIOD-LJQANCHMSA-N 2 1 396.510 3.600 20 0 GHADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659383955 838342597 /nfs/dbraw/zinc/34/25/97/838342597.db2.gz WWDKSMZHZMPMIU-BHIFYINESA-N 2 1 383.580 3.703 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659384032 838342689 /nfs/dbraw/zinc/34/26/89/838342689.db2.gz XYQRGYCPUIDQPX-XMSQKQJNSA-N 2 1 377.532 3.738 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415984347 838361127 /nfs/dbraw/zinc/36/11/27/838361127.db2.gz PENRICIVFRGTHZ-RXVVDRJESA-N 2 1 380.536 3.828 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000659466667 838425440 /nfs/dbraw/zinc/42/54/40/838425440.db2.gz IDRFEDVVQPXKRK-UTKZUKDTSA-N 2 1 395.551 3.663 20 0 GHADMP CSc1ccc(NC(=O)[C@@H](C)N2CC[C@H](n3cnc4c3CCCC4)C2)cc1 ZINC000548011161 838460565 /nfs/dbraw/zinc/46/05/65/838460565.db2.gz YCBBUKKFQIBSCY-WBVHZDCISA-N 2 1 384.549 3.758 20 0 GHADMP C[C@H](CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000472956096 838779993 /nfs/dbraw/zinc/77/99/93/838779993.db2.gz DRKNAYYYLOFAFN-XLIONFOSSA-N 2 1 388.581 3.561 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653153700 838985217 /nfs/dbraw/zinc/98/52/17/838985217.db2.gz XGZKVRBFVRTXRU-XKMKODIBSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653153700 838985223 /nfs/dbraw/zinc/98/52/23/838985223.db2.gz XGZKVRBFVRTXRU-XKMKODIBSA-N 2 1 381.923 3.637 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1ccc(C)c(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000580197580 839036628 /nfs/dbraw/zinc/03/66/28/839036628.db2.gz WVGLTIOZEHFELV-JOCHJYFZSA-N 2 1 396.579 3.933 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1ccc(C)c(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000580197580 839036637 /nfs/dbraw/zinc/03/66/37/839036637.db2.gz WVGLTIOZEHFELV-JOCHJYFZSA-N 2 1 396.579 3.933 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000415015809 839064036 /nfs/dbraw/zinc/06/40/36/839064036.db2.gz NFYGMSPDACQZPU-KBPBESRZSA-N 2 1 393.325 3.862 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000415100673 839204979 /nfs/dbraw/zinc/20/49/79/839204979.db2.gz BCKBZQSIUKJZTA-SJORKVTESA-N 2 1 387.749 3.821 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC000513088410 844413962 /nfs/dbraw/zinc/41/39/62/844413962.db2.gz HRKWOLDAXINGCY-FQEVSTJZSA-N 2 1 397.567 3.715 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3Br)s2)CCCO1 ZINC000415114100 839223970 /nfs/dbraw/zinc/22/39/70/839223970.db2.gz VGMLQCFXFYCWAO-CYBMUJFWSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Br)s2)CCCO1 ZINC000415114100 839223980 /nfs/dbraw/zinc/22/39/80/839223980.db2.gz VGMLQCFXFYCWAO-CYBMUJFWSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)cc3Cl)CC2)C1 ZINC000415116497 839226863 /nfs/dbraw/zinc/22/68/63/839226863.db2.gz BMHWOZPOVMXTAM-RDJZCZTQSA-N 2 1 387.749 3.821 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c(OC)c1 ZINC000571450137 844422228 /nfs/dbraw/zinc/42/22/28/844422228.db2.gz QPTMTMZYQVQLGV-HNNXBMFYSA-N 2 1 387.549 3.791 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1F ZINC000580298157 839303484 /nfs/dbraw/zinc/30/34/84/839303484.db2.gz PBBPZOMMJDTCGV-PMACEKPBSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1F ZINC000580298157 839303501 /nfs/dbraw/zinc/30/35/01/839303501.db2.gz PBBPZOMMJDTCGV-PMACEKPBSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1F ZINC000580298157 839303516 /nfs/dbraw/zinc/30/35/16/839303516.db2.gz PBBPZOMMJDTCGV-PMACEKPBSA-N 2 1 381.495 3.608 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC000160480983 839408306 /nfs/dbraw/zinc/40/83/06/839408306.db2.gz FDPBQCQXSJRQGN-UYAOXDASSA-N 2 1 397.604 3.645 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000613670661 839414150 /nfs/dbraw/zinc/41/41/50/839414150.db2.gz LMTXBOSADUISEX-QMMLZNLJSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000613670661 839414162 /nfs/dbraw/zinc/41/41/62/839414162.db2.gz LMTXBOSADUISEX-QMMLZNLJSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1ccsc1 ZINC000613670661 839414171 /nfs/dbraw/zinc/41/41/71/839414171.db2.gz LMTXBOSADUISEX-QMMLZNLJSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1ccsc1 ZINC000613670661 839414178 /nfs/dbraw/zinc/41/41/78/839414178.db2.gz LMTXBOSADUISEX-QMMLZNLJSA-N 2 1 383.561 3.664 20 0 GHADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000549241513 839493595 /nfs/dbraw/zinc/49/35/95/839493595.db2.gz SLYYTGUBJZCVPH-BGYRXZFFSA-N 2 1 384.568 3.687 20 0 GHADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000549241513 839493599 /nfs/dbraw/zinc/49/35/99/839493599.db2.gz SLYYTGUBJZCVPH-BGYRXZFFSA-N 2 1 384.568 3.687 20 0 GHADMP CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(C[NH+]3CCCC3)CC1)n2CC ZINC000472768864 839517270 /nfs/dbraw/zinc/51/72/70/839517270.db2.gz OHEJTIGNWNDQPD-UHFFFAOYSA-N 2 1 398.551 3.541 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@](C)(c4ccc(C)cc4)C3)CC2)CC1 ZINC000580447219 839573738 /nfs/dbraw/zinc/57/37/38/839573738.db2.gz BQOKEQJJOZMMOM-RUZDIDTESA-N 2 1 397.607 3.681 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000580460854 839594109 /nfs/dbraw/zinc/59/41/09/839594109.db2.gz KBAZXGOUFLSEDZ-TZRRMPRUSA-N 2 1 385.596 3.520 20 0 GHADMP CN1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000580460854 839594116 /nfs/dbraw/zinc/59/41/16/839594116.db2.gz KBAZXGOUFLSEDZ-TZRRMPRUSA-N 2 1 385.596 3.520 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)s2)cc1C ZINC000656255765 839853648 /nfs/dbraw/zinc/85/36/48/839853648.db2.gz OYHWUOKMWJUDPN-KNQAVFIVSA-N 2 1 398.620 3.885 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)s2)cc1C ZINC000656255765 839853657 /nfs/dbraw/zinc/85/36/57/839853657.db2.gz OYHWUOKMWJUDPN-KNQAVFIVSA-N 2 1 398.620 3.885 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000510354015 840234080 /nfs/dbraw/zinc/23/40/80/840234080.db2.gz JDDBFKFTHNHFTO-FQEVSTJZSA-N 2 1 398.595 3.831 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563086243 844525817 /nfs/dbraw/zinc/52/58/17/844525817.db2.gz FCYSBHNGZNDHLI-WNYOCNMUSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563086243 844525821 /nfs/dbraw/zinc/52/58/21/844525821.db2.gz FCYSBHNGZNDHLI-WNYOCNMUSA-N 2 1 381.923 3.509 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416985733 840336207 /nfs/dbraw/zinc/33/62/07/840336207.db2.gz YZQPSODELNGAPS-AUSIDOKSSA-N 2 1 398.595 3.735 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1)C1CC1 ZINC000511600154 840404208 /nfs/dbraw/zinc/40/42/08/840404208.db2.gz RTDAECANGFPSMC-JOCHJYFZSA-N 2 1 395.547 3.712 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1)C1CC1 ZINC000511600154 840404214 /nfs/dbraw/zinc/40/42/14/840404214.db2.gz RTDAECANGFPSMC-JOCHJYFZSA-N 2 1 395.547 3.712 20 0 GHADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(Cl)cc1 ZINC000313036836 840581289 /nfs/dbraw/zinc/58/12/89/840581289.db2.gz QSXKROUAXWEYSG-DZFGPLHGSA-N 2 1 383.923 3.779 20 0 GHADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(Cl)cc1 ZINC000313036836 840581302 /nfs/dbraw/zinc/58/13/02/840581302.db2.gz QSXKROUAXWEYSG-DZFGPLHGSA-N 2 1 383.923 3.779 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417221516 840615592 /nfs/dbraw/zinc/61/55/92/840615592.db2.gz OWBDJSTZCGNVAA-JPYJTQIMSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000417221516 840615594 /nfs/dbraw/zinc/61/55/94/840615594.db2.gz OWBDJSTZCGNVAA-JPYJTQIMSA-N 2 1 392.547 3.974 20 0 GHADMP CO[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCOC1 ZINC000660492418 840657456 /nfs/dbraw/zinc/65/74/56/840657456.db2.gz SDJZGGINPCAVNZ-RLHGTQKVSA-N 2 1 392.971 3.895 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549475434 841049075 /nfs/dbraw/zinc/04/90/75/841049075.db2.gz FISDXOSPAAYCOL-XLIONFOSSA-N 2 1 394.991 3.897 20 0 GHADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)N[C@H]1CCCc2ccccc21 ZINC000660680412 841085492 /nfs/dbraw/zinc/08/54/92/841085492.db2.gz YEOOIJFMBPJXRY-DEOSSOPVSA-N 2 1 391.559 3.825 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000126486977 841150830 /nfs/dbraw/zinc/15/08/30/841150830.db2.gz PZBLFGRUWNDPPV-JOCHJYFZSA-N 2 1 395.551 3.662 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000510420340 841307989 /nfs/dbraw/zinc/30/79/89/841307989.db2.gz PCLIJBVQCAQLNL-POAQFYNOSA-N 2 1 397.485 3.737 20 0 GHADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000430594342 841315423 /nfs/dbraw/zinc/31/54/23/841315423.db2.gz QQROHUCDYRMYHK-UHFFFAOYSA-N 2 1 377.838 3.619 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1Br ZINC000570954592 841372782 /nfs/dbraw/zinc/37/27/82/841372782.db2.gz IQGDPWVZBJIZOH-SFHVURJKSA-N 2 1 390.325 3.929 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(c2ccco2)CC1 ZINC000661162177 841471862 /nfs/dbraw/zinc/47/18/62/841471862.db2.gz KOWARZCRTDJQRR-LJQANCHMSA-N 2 1 395.547 3.628 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CCCC1)c1ccccc1 ZINC000662730389 841508966 /nfs/dbraw/zinc/50/89/66/841508966.db2.gz YLTXUPPXPNZEEU-QRWLVFNGSA-N 2 1 387.474 3.744 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000549542429 841605736 /nfs/dbraw/zinc/60/57/36/841605736.db2.gz FXAPCDQYQIMMJY-YLJYHZDGSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662799168 841647184 /nfs/dbraw/zinc/64/71/84/841647184.db2.gz UHDMMJASWFRNIL-MSOLQXFVSA-N 2 1 393.934 3.781 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662799168 841647192 /nfs/dbraw/zinc/64/71/92/841647192.db2.gz UHDMMJASWFRNIL-MSOLQXFVSA-N 2 1 393.934 3.781 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000511656114 841709599 /nfs/dbraw/zinc/70/95/99/841709599.db2.gz LNKAQSYHXNUTPV-JOCHJYFZSA-N 2 1 383.536 3.603 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+](Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000511656114 841709603 /nfs/dbraw/zinc/70/96/03/841709603.db2.gz LNKAQSYHXNUTPV-JOCHJYFZSA-N 2 1 383.536 3.603 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)cc2)n1 ZINC000647170330 841877891 /nfs/dbraw/zinc/87/78/91/841877891.db2.gz WCFOVLQEHXUTKF-HSZRJFAPSA-N 2 1 387.531 3.613 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)cc2)n1 ZINC000647170330 841877906 /nfs/dbraw/zinc/87/79/06/841877906.db2.gz WCFOVLQEHXUTKF-HSZRJFAPSA-N 2 1 387.531 3.613 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1nc2cc(F)ccc2n1C)C1CC[NH+](C)CC1 ZINC000759832466 841902303 /nfs/dbraw/zinc/90/23/03/841902303.db2.gz CSHWPSNXFXBPKG-UHFFFAOYSA-N 2 1 395.526 3.533 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OCc1ccncc1 ZINC000656781951 841912435 /nfs/dbraw/zinc/91/24/35/841912435.db2.gz AQTFOUJDRVBMQI-QFIPXVFZSA-N 2 1 395.547 3.881 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000625814540 842008199 /nfs/dbraw/zinc/00/81/99/842008199.db2.gz WYOSEIFHJMRFLE-FPOVZHCZSA-N 2 1 389.971 3.543 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000625814540 842008212 /nfs/dbraw/zinc/00/82/12/842008212.db2.gz WYOSEIFHJMRFLE-FPOVZHCZSA-N 2 1 389.971 3.543 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 ZINC001167824287 842018963 /nfs/dbraw/zinc/01/89/63/842018963.db2.gz GLAJNZNXGCQWNG-ZTCOLXNVSA-N 2 1 385.596 3.761 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001167827991 842104935 /nfs/dbraw/zinc/10/49/35/842104935.db2.gz VEWJFFWHQUCYLE-CNNODRBYSA-N 2 1 393.547 3.734 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC001167828121 842104962 /nfs/dbraw/zinc/10/49/62/842104962.db2.gz WLUCJQAREOYMSI-DYESRHJHSA-N 2 1 377.598 3.996 20 0 GHADMP CCCOc1c(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000432365621 842197096 /nfs/dbraw/zinc/19/70/96/842197096.db2.gz VXCWCWAPUBWSIG-INIZCTEOSA-N 2 1 384.948 3.728 20 0 GHADMP CCCOc1c(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000432365621 842197097 /nfs/dbraw/zinc/19/70/97/842197097.db2.gz VXCWCWAPUBWSIG-INIZCTEOSA-N 2 1 384.948 3.728 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCCOC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833976 842225601 /nfs/dbraw/zinc/22/56/01/842225601.db2.gz GVTBBOJGURXPBC-WOJBJXKFSA-N 2 1 399.620 3.845 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448280 842239062 /nfs/dbraw/zinc/23/90/62/842239062.db2.gz SEKFZISHBARYFL-DNVCBOLYSA-N 2 1 381.358 3.917 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000177979848 861291291 /nfs/dbraw/zinc/29/12/91/861291291.db2.gz QHAQYXLWBBNWTA-YKSBVNFPSA-N 2 1 380.580 3.922 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)sc1Br ZINC000512045273 842316922 /nfs/dbraw/zinc/31/69/22/842316922.db2.gz LMVXFFSGVCEPAZ-CQSZACIVSA-N 2 1 388.419 3.743 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000652348746 842326787 /nfs/dbraw/zinc/32/67/87/842326787.db2.gz PNSUQZRZSZIOFX-CGTJXYLNSA-N 2 1 375.900 3.713 20 0 GHADMP Cc1ccc(Nc2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000652348783 842326826 /nfs/dbraw/zinc/32/68/26/842326826.db2.gz RABOAOMZUTWUAI-QKLQHJQFSA-N 2 1 386.565 3.913 20 0 GHADMP C[N@H+]1CCCC[C@H](CNCc2cccc(Br)c2OC(F)F)C1 ZINC000623657009 861302861 /nfs/dbraw/zinc/30/28/61/861302861.db2.gz HRKFJLNAAYFILT-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000623657009 861302878 /nfs/dbraw/zinc/30/28/78/861302878.db2.gz HRKFJLNAAYFILT-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000623657009 861302894 /nfs/dbraw/zinc/30/28/94/861302894.db2.gz HRKFJLNAAYFILT-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CCc3c2c(Br)ccc3F)CCCO1 ZINC000432411683 842406417 /nfs/dbraw/zinc/40/64/17/842406417.db2.gz ABQDZLVPCOGFCG-CXAGYDPISA-N 2 1 385.321 3.666 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000049733501 842410734 /nfs/dbraw/zinc/41/07/34/842410734.db2.gz XBZOGNLONYZYMW-UHFFFAOYSA-N 2 1 394.563 3.528 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCOC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167841357 842412464 /nfs/dbraw/zinc/41/24/64/842412464.db2.gz LBPOKHPCOMVLIM-VQTJNVASSA-N 2 1 399.620 3.845 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000085400898 842718707 /nfs/dbraw/zinc/71/87/07/842718707.db2.gz JIRSPNDAULVPJY-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000249601040 842723051 /nfs/dbraw/zinc/72/30/51/842723051.db2.gz QMOBXZJJVWMTKB-REWPJTCUSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510499996 842788591 /nfs/dbraw/zinc/78/85/91/842788591.db2.gz JNMYYYQAOYGBQF-OALUTQOASA-N 2 1 378.605 3.593 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000581964581 842830001 /nfs/dbraw/zinc/83/00/01/842830001.db2.gz RYVSDJQJNBQMRT-JOCHJYFZSA-N 2 1 394.648 3.898 20 0 GHADMP Cn1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000471862614 842977857 /nfs/dbraw/zinc/97/78/57/842977857.db2.gz CNGPNVFXZCAVOC-FUHWJXTLSA-N 2 1 380.458 3.611 20 0 GHADMP Cn1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000471862614 842977861 /nfs/dbraw/zinc/97/78/61/842977861.db2.gz CNGPNVFXZCAVOC-FUHWJXTLSA-N 2 1 380.458 3.611 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000178462138 861370260 /nfs/dbraw/zinc/37/02/60/861370260.db2.gz LGELPSVSYPJKRZ-JKSUJKDBSA-N 2 1 398.532 3.964 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662298302 843090418 /nfs/dbraw/zinc/09/04/18/843090418.db2.gz VFJRYHVIGFXRIS-WMZOPIPTSA-N 2 1 377.960 3.995 20 0 GHADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000548392389 843113070 /nfs/dbraw/zinc/11/30/70/843113070.db2.gz WSDWOIJXFOLEAP-UHFFFAOYSA-N 2 1 387.568 3.779 20 0 GHADMP c1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)oc1-c1ccccc1 ZINC000662326895 843154976 /nfs/dbraw/zinc/15/49/76/843154976.db2.gz GRQMTWHZYPDECD-UHFFFAOYSA-N 2 1 391.519 3.911 20 0 GHADMP c1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)oc1-c1ccccc1 ZINC000662326895 843154983 /nfs/dbraw/zinc/15/49/83/843154983.db2.gz GRQMTWHZYPDECD-UHFFFAOYSA-N 2 1 391.519 3.911 20 0 GHADMP FC(F)(F)c1cccnc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328026 843156135 /nfs/dbraw/zinc/15/61/35/843156135.db2.gz XUOMXSPUQYURLL-UHFFFAOYSA-N 2 1 393.457 3.670 20 0 GHADMP FC(F)(F)c1cccnc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328026 843156151 /nfs/dbraw/zinc/15/61/51/843156151.db2.gz XUOMXSPUQYURLL-UHFFFAOYSA-N 2 1 393.457 3.670 20 0 GHADMP COc1ccc(OCCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662329098 843157502 /nfs/dbraw/zinc/15/75/02/843157502.db2.gz YRBIXCCMKMGXBD-UHFFFAOYSA-N 2 1 398.551 3.534 20 0 GHADMP CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471876838 843167828 /nfs/dbraw/zinc/16/78/28/843167828.db2.gz ZHBJSAJDQLQZPL-XZOQPEGZSA-N 2 1 379.548 3.561 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662388687 843169584 /nfs/dbraw/zinc/16/95/84/843169584.db2.gz SJDJSJVZYFXUFD-FDDCHVKYSA-N 2 1 377.532 3.912 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(Br)cc32)C[C@H](C)O1 ZINC000510674719 843171009 /nfs/dbraw/zinc/17/10/09/843171009.db2.gz JPXJSLRPQVPYHR-ZRGWGRIASA-N 2 1 381.358 3.915 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cc21 ZINC000662397740 843194349 /nfs/dbraw/zinc/19/43/49/843194349.db2.gz KSZOBWIHNFIAEY-JOCHJYFZSA-N 2 1 383.580 3.793 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000162159633 843209325 /nfs/dbraw/zinc/20/93/25/843209325.db2.gz OSDPTJXOXCKBGY-OFVILXPXSA-N 2 1 392.591 3.855 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000182303594 843240934 /nfs/dbraw/zinc/24/09/34/843240934.db2.gz FRYSSTYVEPYPQQ-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000182303594 843240942 /nfs/dbraw/zinc/24/09/42/843240942.db2.gz FRYSSTYVEPYPQQ-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000182303594 843240951 /nfs/dbraw/zinc/24/09/51/843240951.db2.gz FRYSSTYVEPYPQQ-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000165298257 843357536 /nfs/dbraw/zinc/35/75/36/843357536.db2.gz IJOLCHHKJZWWAY-PZJWPPBQSA-N 2 1 393.531 3.858 20 0 GHADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662513127 843375172 /nfs/dbraw/zinc/37/51/72/843375172.db2.gz YZGGWWYPXTWNEW-YYFZDKIDSA-N 2 1 383.939 3.599 20 0 GHADMP C[C@@H](CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)[N@@H+](C)Cc1ccccc1 ZINC000431037532 843488597 /nfs/dbraw/zinc/48/85/97/843488597.db2.gz OBOPHDJCRPVMSW-IBGZPJMESA-N 2 1 392.547 3.631 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000512350858 843511321 /nfs/dbraw/zinc/51/13/21/843511321.db2.gz WTDPNOKAMVSNTO-SUUHDTSPSA-N 2 1 394.559 3.983 20 0 GHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)c2C1 ZINC000092408389 843816227 /nfs/dbraw/zinc/81/62/27/843816227.db2.gz KFLYSXCBJMLRIJ-UHFFFAOYSA-N 2 1 385.552 3.632 20 0 GHADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1cc2ccccc2o1 ZINC000092470627 843834860 /nfs/dbraw/zinc/83/48/60/843834860.db2.gz MUFYKQUKYKMWBV-QGZVFWFLSA-N 2 1 379.508 3.558 20 0 GHADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1cc2ccccc2o1 ZINC000092470627 843834867 /nfs/dbraw/zinc/83/48/67/843834867.db2.gz MUFYKQUKYKMWBV-QGZVFWFLSA-N 2 1 379.508 3.558 20 0 GHADMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1cc2ccccc2o1 ZINC000092470570 843834978 /nfs/dbraw/zinc/83/49/78/843834978.db2.gz FHFARTKHQUIZKK-SFHVURJKSA-N 2 1 393.535 3.948 20 0 GHADMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1cc2ccccc2o1 ZINC000092470570 843834982 /nfs/dbraw/zinc/83/49/82/843834982.db2.gz FHFARTKHQUIZKK-SFHVURJKSA-N 2 1 393.535 3.948 20 0 GHADMP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1cc2ccccc2o1 ZINC000092470626 843835162 /nfs/dbraw/zinc/83/51/62/843835162.db2.gz MUFYKQUKYKMWBV-KRWDZBQOSA-N 2 1 379.508 3.558 20 0 GHADMP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1cc2ccccc2o1 ZINC000092470626 843835167 /nfs/dbraw/zinc/83/51/67/843835167.db2.gz MUFYKQUKYKMWBV-KRWDZBQOSA-N 2 1 379.508 3.558 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3cccc4ccccc43)cn2)CC1 ZINC000092477478 843842024 /nfs/dbraw/zinc/84/20/24/843842024.db2.gz WIEPWIHGLSVAFD-QHCPKHFHSA-N 2 1 387.531 3.719 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3cccc4ccccc43)cn2)CC1 ZINC000092477478 843842036 /nfs/dbraw/zinc/84/20/36/843842036.db2.gz WIEPWIHGLSVAFD-QHCPKHFHSA-N 2 1 387.531 3.719 20 0 GHADMP Clc1cccc(OCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512461464 843882729 /nfs/dbraw/zinc/88/27/29/843882729.db2.gz CYNSTBRLKPANDG-QFIPXVFZSA-N 2 1 399.966 3.611 20 0 GHADMP Clc1cccc(OCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512461464 843882737 /nfs/dbraw/zinc/88/27/37/843882737.db2.gz CYNSTBRLKPANDG-QFIPXVFZSA-N 2 1 399.966 3.611 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000112918570 843916645 /nfs/dbraw/zinc/91/66/45/843916645.db2.gz TUZGCPTVMFONKZ-UHFFFAOYSA-N 2 1 386.584 3.577 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000112918570 843916651 /nfs/dbraw/zinc/91/66/51/843916651.db2.gz TUZGCPTVMFONKZ-UHFFFAOYSA-N 2 1 386.584 3.577 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3CCCC[C@H]3C)cc12 ZINC000237347480 843932043 /nfs/dbraw/zinc/93/20/43/843932043.db2.gz XOIAUOXVHGKJCT-QGZVFWFLSA-N 2 1 377.536 3.941 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCCCOc4ccccc4)CC3)C2)cc1 ZINC000512475760 843949632 /nfs/dbraw/zinc/94/96/32/843949632.db2.gz VRTVXIKDOPRWEM-DEOSSOPVSA-N 2 1 393.575 3.738 20 0 GHADMP Fc1cccc(CCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512477899 843962105 /nfs/dbraw/zinc/96/21/05/843962105.db2.gz ALYMRWXWAIQVHS-DEOSSOPVSA-N 2 1 381.539 3.650 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536235463 844007259 /nfs/dbraw/zinc/00/72/59/844007259.db2.gz WYWFXOWXGSORKJ-FGZHOGPDSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536235463 844007270 /nfs/dbraw/zinc/00/72/70/844007270.db2.gz WYWFXOWXGSORKJ-FGZHOGPDSA-N 2 1 386.584 3.585 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccs1 ZINC000512626573 844804045 /nfs/dbraw/zinc/80/40/45/844804045.db2.gz VJMWFCBEYJMCJK-PWRODBHTSA-N 2 1 397.588 3.758 20 0 GHADMP CN(CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512635142 844844277 /nfs/dbraw/zinc/84/42/77/844844277.db2.gz GCJRVEVZKZGWOR-HSALFYBXSA-N 2 1 383.502 3.761 20 0 GHADMP COc1ccc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549868500 844913409 /nfs/dbraw/zinc/91/34/09/844913409.db2.gz WZBVUHVHPKBJMB-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP COc1ccc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549868500 844913423 /nfs/dbraw/zinc/91/34/23/844913423.db2.gz WZBVUHVHPKBJMB-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179265856 861514019 /nfs/dbraw/zinc/51/40/19/861514019.db2.gz HTRUJHFRBRRSMA-XZOQPEGZSA-N 2 1 394.563 3.725 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)NCc1ccccc1 ZINC000512668285 844973020 /nfs/dbraw/zinc/97/30/20/844973020.db2.gz UISQLGWLMRJEOA-KMDXXIMOSA-N 2 1 391.559 3.583 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433053674 845096334 /nfs/dbraw/zinc/09/63/34/845096334.db2.gz PZZOAJUHZWWXGJ-OAQYLSRUSA-N 2 1 391.559 3.679 20 0 GHADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236680450 845179024 /nfs/dbraw/zinc/17/90/24/845179024.db2.gz YXGVMOZBEWWIQD-SJLPKXTDSA-N 2 1 399.501 3.970 20 0 GHADMP CCCN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000236789519 845195304 /nfs/dbraw/zinc/19/53/04/845195304.db2.gz XGHPZTWYTWTBRC-UHFFFAOYSA-N 2 1 379.548 3.679 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614237008 845373962 /nfs/dbraw/zinc/37/39/62/845373962.db2.gz HAKVTDIQEQNVGC-LADGPHEKSA-N 2 1 391.559 3.504 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CCCc2ccccc2)CC1 ZINC000051852781 845382456 /nfs/dbraw/zinc/38/24/56/845382456.db2.gz GFBMTSQCSVRDMO-UHFFFAOYSA-N 2 1 393.575 3.640 20 0 GHADMP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433170040 845564869 /nfs/dbraw/zinc/56/48/69/845564869.db2.gz ZOUAJVFTDGVLFN-QHCPKHFHSA-N 2 1 391.559 3.804 20 0 GHADMP Cc1cc(F)ccc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000102781476 845584916 /nfs/dbraw/zinc/58/49/16/845584916.db2.gz IFTUDWJGULGISS-UHFFFAOYSA-N 2 1 386.511 3.914 20 0 GHADMP COc1cccc(C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C2CC2)c1 ZINC000513533425 845629482 /nfs/dbraw/zinc/62/94/82/845629482.db2.gz RIRFJWSHUBJTSK-VWLOTQADSA-N 2 1 393.575 3.554 20 0 GHADMP Cn1c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2oc1=O ZINC000513543069 845634762 /nfs/dbraw/zinc/63/47/62/845634762.db2.gz OEALHIYFGFCRDT-OAQYLSRUSA-N 2 1 379.504 3.522 20 0 GHADMP Cn1c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc2oc1=O ZINC000513543069 845634767 /nfs/dbraw/zinc/63/47/67/845634767.db2.gz OEALHIYFGFCRDT-OAQYLSRUSA-N 2 1 379.504 3.522 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[C@@H]1CC[N@H+](CC)C1 ZINC000664209225 845682897 /nfs/dbraw/zinc/68/28/97/845682897.db2.gz CKGHZYLPSMSMRV-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664209225 845682920 /nfs/dbraw/zinc/68/29/20/845682920.db2.gz CKGHZYLPSMSMRV-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CC[NH+](CC)C1 ZINC000664209225 845682925 /nfs/dbraw/zinc/68/29/25/845682925.db2.gz CKGHZYLPSMSMRV-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CC[NH+](CC)C1 ZINC000664209225 845682935 /nfs/dbraw/zinc/68/29/35/845682935.db2.gz CKGHZYLPSMSMRV-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000071954567 845974006 /nfs/dbraw/zinc/97/40/06/845974006.db2.gz GUWAFEHNZMELKU-QGZVFWFLSA-N 2 1 379.976 3.961 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000536482411 845985350 /nfs/dbraw/zinc/98/53/50/845985350.db2.gz OODIAEIGVSMTDD-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccccc2F)CC1 ZINC000237234196 846366749 /nfs/dbraw/zinc/36/67/49/846366749.db2.gz YZAIWWJYLTUQCC-UHFFFAOYSA-N 2 1 381.417 3.886 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000582131448 846431955 /nfs/dbraw/zinc/43/19/55/846431955.db2.gz IEBSWSDEAOEOIT-ZEQRLZLVSA-N 2 1 397.607 3.977 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000502838073 846508819 /nfs/dbraw/zinc/50/88/19/846508819.db2.gz CKHWKTPHEGZZNY-KNQAVFIVSA-N 2 1 388.600 3.806 20 0 GHADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501031823 846549256 /nfs/dbraw/zinc/54/92/56/846549256.db2.gz ZYZREIWKXYHONA-IBGZPJMESA-N 2 1 380.536 3.874 20 0 GHADMP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045906 846570519 /nfs/dbraw/zinc/57/05/19/846570519.db2.gz OIECECOADJGZFF-LJQANCHMSA-N 2 1 392.547 3.598 20 0 GHADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050017 846577186 /nfs/dbraw/zinc/57/71/86/846577186.db2.gz KNKRJLGKOJQCQC-GOSISDBHSA-N 2 1 380.536 3.819 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167553243 846580658 /nfs/dbraw/zinc/58/06/58/846580658.db2.gz CWHTYIIQCBIBOO-ZDXQCDESSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167553243 846580661 /nfs/dbraw/zinc/58/06/61/846580661.db2.gz CWHTYIIQCBIBOO-ZDXQCDESSA-N 2 1 384.564 3.954 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@H]1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167553243 846580666 /nfs/dbraw/zinc/58/06/66/846580666.db2.gz CWHTYIIQCBIBOO-ZDXQCDESSA-N 2 1 384.564 3.954 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000421842242 846632437 /nfs/dbraw/zinc/63/24/37/846632437.db2.gz NGLBDEZKJSNNCC-YWZLYKJASA-N 2 1 376.903 3.767 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501091261 846632587 /nfs/dbraw/zinc/63/25/87/846632587.db2.gz VAKDULJDTWQZKS-SFHVURJKSA-N 2 1 398.526 3.589 20 0 GHADMP C[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)N1CCC(C)CC1 ZINC000161192632 846704191 /nfs/dbraw/zinc/70/41/91/846704191.db2.gz BBEBJPNAJMCUTB-LJQANCHMSA-N 2 1 386.584 3.524 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000657373946 846710721 /nfs/dbraw/zinc/71/07/21/846710721.db2.gz BGINXUUPIISSJA-UHFFFAOYSA-N 2 1 392.425 3.954 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@@H](C)C1 ZINC000503031032 846732329 /nfs/dbraw/zinc/73/23/29/846732329.db2.gz IBAWYBMDQPJPBL-NHYWBVRUSA-N 2 1 392.712 3.765 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@@H](C)C1 ZINC000503031032 846732332 /nfs/dbraw/zinc/73/23/32/846732332.db2.gz IBAWYBMDQPJPBL-NHYWBVRUSA-N 2 1 392.712 3.765 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000545868575 846798594 /nfs/dbraw/zinc/79/85/94/846798594.db2.gz SOYRFUXIYWOPIW-FZKQIMNGSA-N 2 1 395.366 3.895 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000545868575 846798602 /nfs/dbraw/zinc/79/86/02/846798602.db2.gz SOYRFUXIYWOPIW-FZKQIMNGSA-N 2 1 395.366 3.895 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(-c4ccccc4)on3)CC2)CC1 ZINC000503122377 846816218 /nfs/dbraw/zinc/81/62/18/846816218.db2.gz QZSZOQDMAOMCLR-UHFFFAOYSA-N 2 1 396.579 3.970 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000501321229 846832341 /nfs/dbraw/zinc/83/23/41/846832341.db2.gz KEORVHPQXWCFSZ-YTFSRNRJSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501321229 846832349 /nfs/dbraw/zinc/83/23/49/846832349.db2.gz KEORVHPQXWCFSZ-YTFSRNRJSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501321229 846832357 /nfs/dbraw/zinc/83/23/57/846832357.db2.gz KEORVHPQXWCFSZ-YTFSRNRJSA-N 2 1 383.580 3.764 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000501415331 846899545 /nfs/dbraw/zinc/89/95/45/846899545.db2.gz WTIUUCNHSPUZGT-IDCODDLRSA-N 2 1 397.485 3.641 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000501415331 846899554 /nfs/dbraw/zinc/89/95/54/846899554.db2.gz WTIUUCNHSPUZGT-IDCODDLRSA-N 2 1 397.485 3.641 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC000647248791 846939207 /nfs/dbraw/zinc/93/92/07/846939207.db2.gz FDPREIHHLMBPPY-MJGOQNOKSA-N 2 1 376.447 3.732 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC000647248791 846939220 /nfs/dbraw/zinc/93/92/20/846939220.db2.gz FDPREIHHLMBPPY-MJGOQNOKSA-N 2 1 376.447 3.732 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000582360887 846948977 /nfs/dbraw/zinc/94/89/77/846948977.db2.gz XJDUSWQMKCBRTE-NHCUHLMSSA-N 2 1 393.531 3.526 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000501517353 846978656 /nfs/dbraw/zinc/97/86/56/846978656.db2.gz GKDOAYVNUSHEJB-RTBURBONSA-N 2 1 394.629 3.864 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000501531942 846998005 /nfs/dbraw/zinc/99/80/05/846998005.db2.gz FBJDFHQPSHTPAM-OALUTQOASA-N 2 1 390.572 3.792 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000272416673 847073147 /nfs/dbraw/zinc/07/31/47/847073147.db2.gz MQDBEYWBEQVYIZ-WBDAEOGXSA-N 2 1 398.572 3.516 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544206130 847079287 /nfs/dbraw/zinc/07/92/87/847079287.db2.gz MKQFGNCTBBHBRC-UYAOXDASSA-N 2 1 386.584 3.874 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544206130 847079293 /nfs/dbraw/zinc/07/92/93/847079293.db2.gz MKQFGNCTBBHBRC-UYAOXDASSA-N 2 1 386.584 3.874 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C(F)(F)F)nn2C)C[N@H+]1Cc1ccccc1 ZINC000657415239 847083123 /nfs/dbraw/zinc/08/31/23/847083123.db2.gz GVKOURCEMPRGQG-NVXWUHKLSA-N 2 1 380.458 3.829 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272473100 847086273 /nfs/dbraw/zinc/08/62/73/847086273.db2.gz RYKDAKROGCYHPY-QUCCMNQESA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272473100 847086278 /nfs/dbraw/zinc/08/62/78/847086278.db2.gz RYKDAKROGCYHPY-QUCCMNQESA-N 2 1 381.524 3.613 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000420322859 847102281 /nfs/dbraw/zinc/10/22/81/847102281.db2.gz SOFXMRUTTSEKJD-FQEVSTJZSA-N 2 1 378.520 3.692 20 0 GHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000420365973 847141779 /nfs/dbraw/zinc/14/17/79/847141779.db2.gz QPGWEADAQACZGS-TZIWHRDSSA-N 2 1 385.939 3.523 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@H](c1cccs1)c1ccccc1 ZINC000420378697 847147932 /nfs/dbraw/zinc/14/79/32/847147932.db2.gz BKXTXUJPXUOMTA-MZKRTTBSSA-N 2 1 397.588 3.808 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000272735214 847159169 /nfs/dbraw/zinc/15/91/69/847159169.db2.gz JLENGQLOXYOZND-WMZHIEFXSA-N 2 1 398.547 3.519 20 0 GHADMP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000272735205 847159629 /nfs/dbraw/zinc/15/96/29/847159629.db2.gz JLENGQLOXYOZND-AUSIDOKSSA-N 2 1 398.547 3.519 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000582453353 847287082 /nfs/dbraw/zinc/28/70/82/847287082.db2.gz GQCZENQWTKIZJV-CALCHBBNSA-N 2 1 395.613 3.531 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)C[C@H](C)O1 ZINC000582453353 847287092 /nfs/dbraw/zinc/28/70/92/847287092.db2.gz GQCZENQWTKIZJV-CALCHBBNSA-N 2 1 395.613 3.531 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000501951501 847340977 /nfs/dbraw/zinc/34/09/77/847340977.db2.gz VZVSSTVUUGAGJI-QPPBQGQZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502152802 847525139 /nfs/dbraw/zinc/52/51/39/847525139.db2.gz JBLIBCDMYQLKSL-URXFXBBRSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919611 847540345 /nfs/dbraw/zinc/54/03/45/847540345.db2.gz ZNJRSOGLPSKBEQ-ZJSXRUAMSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919611 847540349 /nfs/dbraw/zinc/54/03/49/847540349.db2.gz ZNJRSOGLPSKBEQ-ZJSXRUAMSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919611 847540356 /nfs/dbraw/zinc/54/03/56/847540356.db2.gz ZNJRSOGLPSKBEQ-ZJSXRUAMSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919611 847540365 /nfs/dbraw/zinc/54/03/65/847540365.db2.gz ZNJRSOGLPSKBEQ-ZJSXRUAMSA-N 2 1 385.596 3.605 20 0 GHADMP C[N@@H+](CCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000503393095 847672682 /nfs/dbraw/zinc/67/26/82/847672682.db2.gz YUHGGNDMHROYQV-NRFANRHFSA-N 2 1 392.632 3.939 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503474353 847726988 /nfs/dbraw/zinc/72/69/88/847726988.db2.gz PSLJGSSUOUPAAB-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000422631465 847740438 /nfs/dbraw/zinc/74/04/38/847740438.db2.gz FONFLYHBYWLLNV-PDPLOHQNSA-N 2 1 397.588 3.527 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000422631465 847740446 /nfs/dbraw/zinc/74/04/46/847740446.db2.gz FONFLYHBYWLLNV-PDPLOHQNSA-N 2 1 397.588 3.527 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422736224 847790508 /nfs/dbraw/zinc/79/05/08/847790508.db2.gz FZBNULDDPWIAAN-USHXRURQSA-N 2 1 377.532 3.667 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422736224 847790512 /nfs/dbraw/zinc/79/05/12/847790512.db2.gz FZBNULDDPWIAAN-USHXRURQSA-N 2 1 377.532 3.667 20 0 GHADMP COc1ccc([C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422769272 847815797 /nfs/dbraw/zinc/81/57/97/847815797.db2.gz VNWYQVQLRMCQQU-GOTSBHOMSA-N 2 1 398.522 3.965 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422811810 847835216 /nfs/dbraw/zinc/83/52/16/847835216.db2.gz PNRODOPTPAJDBA-GLUARIRHSA-N 3 1 385.596 3.696 20 0 GHADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422811810 847835219 /nfs/dbraw/zinc/83/52/19/847835219.db2.gz PNRODOPTPAJDBA-GLUARIRHSA-N 2 1 385.596 3.696 20 0 GHADMP CC[NH+](CC)Cc1ccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422793239 847839049 /nfs/dbraw/zinc/83/90/49/847839049.db2.gz WSYMUWOMFADPSC-LADGPHEKSA-N 2 1 379.548 3.874 20 0 GHADMP N[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000422821061 847840143 /nfs/dbraw/zinc/84/01/43/847840143.db2.gz UGZOWKGQIOPZEH-DNQXCXABSA-N 2 1 379.548 3.792 20 0 GHADMP [NH3+][C@@H]1C[C@@H](NCCCOC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000422821061 847840148 /nfs/dbraw/zinc/84/01/48/847840148.db2.gz UGZOWKGQIOPZEH-DNQXCXABSA-N 2 1 379.548 3.792 20 0 GHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422858454 847857708 /nfs/dbraw/zinc/85/77/08/847857708.db2.gz IRVSJHFLJHXVFU-YESZJQIVSA-N 2 1 383.517 3.803 20 0 GHADMP COc1ccc([C@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1Br ZINC000422979653 847927095 /nfs/dbraw/zinc/92/70/95/847927095.db2.gz KCTPNLDYKNFLLB-ORAYPTAESA-N 2 1 375.310 3.745 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])c2)n1 ZINC000423071424 847962710 /nfs/dbraw/zinc/96/27/10/847962710.db2.gz HUNBHUDZWHFINV-KXBFYZLASA-N 2 1 395.528 3.645 20 0 GHADMP CO[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COCc1ccccc1 ZINC000657590897 848277913 /nfs/dbraw/zinc/27/79/13/848277913.db2.gz PERRELLLMRMJIE-DEOSSOPVSA-N 2 1 382.548 3.863 20 0 GHADMP COc1cc2ccccc2cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657598229 848299905 /nfs/dbraw/zinc/29/99/05/848299905.db2.gz YWGREIUVVDLMJR-HSZRJFAPSA-N 2 1 376.500 3.705 20 0 GHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678875 848587695 /nfs/dbraw/zinc/58/76/95/848587695.db2.gz VZZRRXCZPZYAFQ-QPIRBTGLSA-N 2 1 395.547 3.590 20 0 GHADMP O=C1c2ccccc2C(=O)N1C1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678875 848587701 /nfs/dbraw/zinc/58/77/01/848587701.db2.gz VZZRRXCZPZYAFQ-QPIRBTGLSA-N 2 1 395.547 3.590 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000673837094 861948025 /nfs/dbraw/zinc/94/80/25/861948025.db2.gz FCCQTAIBZRPODY-JOCHJYFZSA-N 2 1 399.510 3.759 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000673837094 861948034 /nfs/dbraw/zinc/94/80/34/861948034.db2.gz FCCQTAIBZRPODY-JOCHJYFZSA-N 2 1 399.510 3.759 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511230851 848998423 /nfs/dbraw/zinc/99/84/23/848998423.db2.gz GOWPUCBSBWYXRX-IRFCIJBXSA-N 2 1 378.605 3.593 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230851 848998427 /nfs/dbraw/zinc/99/84/27/848998427.db2.gz GOWPUCBSBWYXRX-IRFCIJBXSA-N 2 1 378.605 3.593 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230851 848998435 /nfs/dbraw/zinc/99/84/35/848998435.db2.gz GOWPUCBSBWYXRX-IRFCIJBXSA-N 2 1 378.605 3.593 20 0 GHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000150763475 849121250 /nfs/dbraw/zinc/12/12/50/849121250.db2.gz FRCRVKQPVYRSKS-XXBNENTESA-N 2 1 397.588 3.762 20 0 GHADMP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423101110 849743936 /nfs/dbraw/zinc/74/39/36/849743936.db2.gz IANMKESVMHYAJB-HOPUUNBDSA-N 3 1 379.976 3.597 20 0 GHADMP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899873685 862055171 /nfs/dbraw/zinc/05/51/71/862055171.db2.gz CVPMGTPXRYJLMX-UHFFFAOYSA-N 2 1 382.430 3.571 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000504038981 849850388 /nfs/dbraw/zinc/85/03/88/849850388.db2.gz FKBCTADHTPNMIZ-PIPMEXSNSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000504038981 849850395 /nfs/dbraw/zinc/85/03/95/849850395.db2.gz FKBCTADHTPNMIZ-PIPMEXSNSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000504038981 849850405 /nfs/dbraw/zinc/85/04/05/849850405.db2.gz FKBCTADHTPNMIZ-PIPMEXSNSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000504038981 849850418 /nfs/dbraw/zinc/85/04/18/849850418.db2.gz FKBCTADHTPNMIZ-PIPMEXSNSA-N 2 1 393.522 3.869 20 0 GHADMP COC[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000423459967 849934962 /nfs/dbraw/zinc/93/49/62/849934962.db2.gz AOKMUYARFMJGFC-CDXJDZJCSA-N 2 1 378.438 3.774 20 0 GHADMP c1ccc(-c2nc3c(s2)[C@H]([NH2+]C2CCC([NH+]4CCNCC4)CC2)CCC3)cc1 ZINC000423501922 849944211 /nfs/dbraw/zinc/94/42/11/849944211.db2.gz DKTNHMPLBVJJLX-SOAGJPPSSA-N 2 1 396.604 3.994 20 0 GHADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1csc(-c2ccccc2F)n1 ZINC000423501984 849946212 /nfs/dbraw/zinc/94/62/12/849946212.db2.gz BZHHJQUHZXNSJW-KLAILNCOSA-N 2 1 388.556 3.816 20 0 GHADMP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423520536 849965420 /nfs/dbraw/zinc/96/54/20/849965420.db2.gz RFDUVFHSVBWAJV-ZCGZAGALSA-N 2 1 385.596 3.769 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2cccc(Br)c21 ZINC000423523994 849967756 /nfs/dbraw/zinc/96/77/56/849967756.db2.gz WQTLIWYHMGZTME-YHRBYZFPSA-N 2 1 392.385 3.803 20 0 GHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000423553435 849978917 /nfs/dbraw/zinc/97/89/17/849978917.db2.gz GWEWPXKKHUADBM-HNNXBMFYSA-N 2 1 377.454 3.748 20 0 GHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccc1OC(F)F ZINC000423565086 849981424 /nfs/dbraw/zinc/98/14/24/849981424.db2.gz LKURGKWTGNZJGM-QGZVFWFLSA-N 2 1 389.490 3.932 20 0 GHADMP COc1ccc(Cl)cc1[C@@H](C)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423565300 849981637 /nfs/dbraw/zinc/98/16/37/849981637.db2.gz LPIJQXQVXBOAPD-QGZVFWFLSA-N 2 1 387.955 3.993 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000504289997 849999037 /nfs/dbraw/zinc/99/90/37/849999037.db2.gz QCRVLIVEHGIXTN-MBOZVWFJSA-N 2 1 392.975 3.649 20 0 GHADMP COCCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1OC ZINC000435061277 850035233 /nfs/dbraw/zinc/03/52/33/850035233.db2.gz YIUKNUKZEWPJCP-UHFFFAOYSA-N 2 1 399.535 3.633 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000504425916 850059382 /nfs/dbraw/zinc/05/93/82/850059382.db2.gz DKBWOQBKKQWANJ-CEMLEFRQSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000504418590 850065238 /nfs/dbraw/zinc/06/52/38/850065238.db2.gz KTVFDHBTLKZYAI-IFMALSPDSA-N 2 1 388.600 3.657 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691713 862098083 /nfs/dbraw/zinc/09/80/83/862098083.db2.gz GKNIXKJOYLVMPW-DNRQZRRGSA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691713 862098093 /nfs/dbraw/zinc/09/80/93/862098093.db2.gz GKNIXKJOYLVMPW-DNRQZRRGSA-N 2 1 399.623 3.898 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@](C)([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167964810 850163953 /nfs/dbraw/zinc/16/39/53/850163953.db2.gz YEOJFUACSLFREJ-SOUXKNCUSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N(C)C(c1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424295237 850338319 /nfs/dbraw/zinc/33/83/19/850338319.db2.gz QZEMICDMJCMIDA-HXUWFJFHSA-N 2 1 391.559 3.698 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)c2C)cc1 ZINC000424388607 850426301 /nfs/dbraw/zinc/42/63/01/850426301.db2.gz ZIHLSIUTRFKKOG-QGZVFWFLSA-N 2 1 382.552 3.521 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822470 850472643 /nfs/dbraw/zinc/47/26/43/850472643.db2.gz PNFWQUIJAFYGDH-YLJYHZDGSA-N 2 1 376.520 3.534 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822470 850472651 /nfs/dbraw/zinc/47/26/51/850472651.db2.gz PNFWQUIJAFYGDH-YLJYHZDGSA-N 2 1 376.520 3.534 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822470 850472659 /nfs/dbraw/zinc/47/26/59/850472659.db2.gz PNFWQUIJAFYGDH-YLJYHZDGSA-N 2 1 376.520 3.534 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccccc3F)C3CC3)CC2)CC1 ZINC000519014095 850493809 /nfs/dbraw/zinc/49/38/09/850493809.db2.gz VMCQKENZRXMRJJ-UHFFFAOYSA-N 2 1 387.543 3.513 20 0 GHADMP CCn1ccnc1C[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426889 850508025 /nfs/dbraw/zinc/50/80/25/850508025.db2.gz JUJDFNFROKHNFJ-NQIIRXRSSA-N 2 1 382.552 3.659 20 0 GHADMP COc1ccc2cc(C[N@H+](Cc3nccn3C)[C@@H]3CC34CC[NH2+]CC4)ccc2c1 ZINC000435427178 850510707 /nfs/dbraw/zinc/51/07/07/850510707.db2.gz LUXDFEDXPQTVST-JOCHJYFZSA-N 2 1 390.531 3.726 20 0 GHADMP COc1ccc2cc(C[N@@H+](Cc3nccn3C)[C@@H]3CC34CC[NH2+]CC4)ccc2c1 ZINC000435427178 850510710 /nfs/dbraw/zinc/51/07/10/850510710.db2.gz LUXDFEDXPQTVST-JOCHJYFZSA-N 2 1 390.531 3.726 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000487178988 850542814 /nfs/dbraw/zinc/54/28/14/850542814.db2.gz HQMPCECBTBIRHC-OAHLLOKOSA-N 2 1 396.457 3.686 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCCOc1ccc(C)cc1 ZINC000414798175 850551727 /nfs/dbraw/zinc/55/17/27/850551727.db2.gz ZOFRMAFMYGJCJO-UHFFFAOYSA-N 2 1 384.520 3.693 20 0 GHADMP CCN1CCC([NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000015569200 862144617 /nfs/dbraw/zinc/14/46/17/862144617.db2.gz PRHSACWNXDNENB-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP CC[NH+]1CCC([NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000015569200 862144624 /nfs/dbraw/zinc/14/46/24/862144624.db2.gz PRHSACWNXDNENB-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000515028645 850622810 /nfs/dbraw/zinc/62/28/10/850622810.db2.gz OFPMGYSIXVAHDT-OAQYLSRUSA-N 2 1 377.488 3.602 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CCO1 ZINC000668784391 850743874 /nfs/dbraw/zinc/74/38/74/850743874.db2.gz FIVVOWAOIOIJSF-NRFANRHFSA-N 2 1 378.520 3.568 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CCO1 ZINC000668784391 850743880 /nfs/dbraw/zinc/74/38/80/850743880.db2.gz FIVVOWAOIOIJSF-NRFANRHFSA-N 2 1 378.520 3.568 20 0 GHADMP Cn1ncc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1C(F)(F)F ZINC000435690628 850769731 /nfs/dbraw/zinc/76/97/31/850769731.db2.gz BNDDNFNXWBDWMN-HNNXBMFYSA-N 2 1 384.471 3.645 20 0 GHADMP Cn1ncc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1C(F)(F)F ZINC000435690628 850769733 /nfs/dbraw/zinc/76/97/33/850769733.db2.gz BNDDNFNXWBDWMN-HNNXBMFYSA-N 2 1 384.471 3.645 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000514010092 851116019 /nfs/dbraw/zinc/11/60/19/851116019.db2.gz SGNBXHDIYGUYJT-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP CCC1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514017140 851125235 /nfs/dbraw/zinc/12/52/35/851125235.db2.gz DVWLDYOIYORTGQ-FGZHOGPDSA-N 2 1 398.595 3.605 20 0 GHADMP Cc1ncsc1C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000436056995 851155422 /nfs/dbraw/zinc/15/54/22/851155422.db2.gz XDJIJAXRAWUNAT-OAHLLOKOSA-N 2 1 392.956 3.545 20 0 GHADMP Cc1ncsc1C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000436056995 851155427 /nfs/dbraw/zinc/15/54/27/851155427.db2.gz XDJIJAXRAWUNAT-OAHLLOKOSA-N 2 1 392.956 3.545 20 0 GHADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc(Br)c1OC(F)F ZINC000415067774 851173080 /nfs/dbraw/zinc/17/30/80/851173080.db2.gz PPQKWFCEUWPDMN-CYBMUJFWSA-N 2 1 393.272 3.666 20 0 GHADMP CCC[N@H+](CCCO[C@@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514074736 851195604 /nfs/dbraw/zinc/19/56/04/851195604.db2.gz TZMTZDCNTKWGTJ-JOCHJYFZSA-N 2 1 390.572 3.708 20 0 GHADMP CCC[N@@H+](CCCO[C@@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514074736 851195609 /nfs/dbraw/zinc/19/56/09/851195609.db2.gz TZMTZDCNTKWGTJ-JOCHJYFZSA-N 2 1 390.572 3.708 20 0 GHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000488147037 851204294 /nfs/dbraw/zinc/20/42/94/851204294.db2.gz YNVQJEROFKCDQH-JTAQYXEDSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000488147039 851204386 /nfs/dbraw/zinc/20/43/86/851204386.db2.gz YNVQJEROFKCDQH-MIZPHKNDSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1-n1ccnn1 ZINC000514084834 851220351 /nfs/dbraw/zinc/22/03/51/851220351.db2.gz RXARZPWIDLEOBH-IBGZPJMESA-N 2 1 375.520 3.625 20 0 GHADMP COc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167970979 851475944 /nfs/dbraw/zinc/47/59/44/851475944.db2.gz RGXKRCUPUNUZCW-SEJPIABJSA-N 2 1 384.564 3.738 20 0 GHADMP CCC[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000180644292 862264868 /nfs/dbraw/zinc/26/48/68/862264868.db2.gz BZLZFOKARNHKFV-JOCHJYFZSA-N 2 1 397.567 3.668 20 0 GHADMP CCC[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000180644292 862264881 /nfs/dbraw/zinc/26/48/81/862264881.db2.gz BZLZFOKARNHKFV-JOCHJYFZSA-N 2 1 397.567 3.668 20 0 GHADMP Fc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c(F)c1 ZINC001167973185 851635835 /nfs/dbraw/zinc/63/58/35/851635835.db2.gz IVVGNUMOQULADS-FRIKZZABSA-N 2 1 389.534 3.924 20 0 GHADMP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000550142916 851736156 /nfs/dbraw/zinc/73/61/56/851736156.db2.gz NTGDUHSZFOLTGS-HXUWFJFHSA-N 2 1 385.939 3.636 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000488791032 851778411 /nfs/dbraw/zinc/77/84/11/851778411.db2.gz CZDSSXSUKJBGBI-BGYRXZFFSA-N 2 1 388.515 3.541 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000488791032 851778423 /nfs/dbraw/zinc/77/84/23/851778423.db2.gz CZDSSXSUKJBGBI-BGYRXZFFSA-N 2 1 388.515 3.541 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000488791032 851778433 /nfs/dbraw/zinc/77/84/33/851778433.db2.gz CZDSSXSUKJBGBI-BGYRXZFFSA-N 2 1 388.515 3.541 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000488791032 851778443 /nfs/dbraw/zinc/77/84/43/851778443.db2.gz CZDSSXSUKJBGBI-BGYRXZFFSA-N 2 1 388.515 3.541 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550202293 851906089 /nfs/dbraw/zinc/90/60/89/851906089.db2.gz YFRMDCOBXUMFGW-KUDFPVQQSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550202293 851906094 /nfs/dbraw/zinc/90/60/94/851906094.db2.gz YFRMDCOBXUMFGW-KUDFPVQQSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550202293 851906096 /nfs/dbraw/zinc/90/60/96/851906096.db2.gz YFRMDCOBXUMFGW-KUDFPVQQSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC3CCN(c4cc[nH+]cc4)CC3)c2)C[C@H](C)O1 ZINC000436472294 851957955 /nfs/dbraw/zinc/95/79/55/851957955.db2.gz ZLWIXMPDUJKRJS-KDURUIRLSA-N 2 1 380.536 3.772 20 0 GHADMP CC(C)c1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000048778029 851962418 /nfs/dbraw/zinc/96/24/18/851962418.db2.gz XDPFLZQHYVCPOC-UHFFFAOYSA-N 2 1 395.547 3.761 20 0 GHADMP C[C@H](C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1)C[NH+](C)C ZINC000425942818 851964739 /nfs/dbraw/zinc/96/47/39/851964739.db2.gz OITCMSWKQNJVSU-QZTJIDSGSA-N 2 1 395.613 3.536 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000473789788 851995850 /nfs/dbraw/zinc/99/58/50/851995850.db2.gz ZJHGKIWKMKERGB-VWPQPMDRSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000473789788 851995858 /nfs/dbraw/zinc/99/58/58/851995858.db2.gz ZJHGKIWKMKERGB-VWPQPMDRSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000473789788 851995867 /nfs/dbraw/zinc/99/58/67/851995867.db2.gz ZJHGKIWKMKERGB-VWPQPMDRSA-N 2 1 386.584 3.585 20 0 GHADMP FC(F)(F)c1cccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000550228016 852052315 /nfs/dbraw/zinc/05/23/15/852052315.db2.gz XGNCCXQNDJVWDK-UHFFFAOYSA-N 2 1 377.454 3.940 20 0 GHADMP O=C(CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCc2ccccc21 ZINC000180760484 862323491 /nfs/dbraw/zinc/32/34/91/862323491.db2.gz OIWATCHMYYRMJJ-UHFFFAOYSA-N 2 1 391.559 3.653 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000180770546 862330968 /nfs/dbraw/zinc/33/09/68/862330968.db2.gz UQPRLCXBSXIEBE-QRWLVFNGSA-N 2 1 378.451 3.776 20 0 GHADMP [NH3+]CCc1cn(-c2nccc3c2CC[N@@H+](Cc2ccccc2)C3)c2ccc(O)cc12 ZINC001167983134 852207090 /nfs/dbraw/zinc/20/70/90/852207090.db2.gz MFJWWNARYPKCMT-UHFFFAOYSA-N 2 1 398.510 3.791 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000506917089 852331357 /nfs/dbraw/zinc/33/13/57/852331357.db2.gz NCLAZLCGEXEFHE-RTWAWAEBSA-N 2 1 392.632 3.937 20 0 GHADMP CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)[N@@H+](C)Cc1ccccc1 ZINC000516259742 852355809 /nfs/dbraw/zinc/35/58/09/852355809.db2.gz HZGRNDQBEAKYAM-QHCPKHFHSA-N 2 1 394.563 3.596 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000506933421 852360378 /nfs/dbraw/zinc/36/03/78/852360378.db2.gz OLYIYZSWBJWYGR-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](Nc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268739 852366059 /nfs/dbraw/zinc/36/60/59/852366059.db2.gz QZTNJPWUUCPVKE-URXFXBBRSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H](Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516268739 852366068 /nfs/dbraw/zinc/36/60/68/852366068.db2.gz QZTNJPWUUCPVKE-URXFXBBRSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H](Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268739 852366075 /nfs/dbraw/zinc/36/60/75/852366075.db2.gz QZTNJPWUUCPVKE-URXFXBBRSA-N 2 1 392.591 3.757 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489636894 852500510 /nfs/dbraw/zinc/50/05/10/852500510.db2.gz VGOKJWHRSZDZQY-DEOSSOPVSA-N 2 1 396.575 3.887 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000489753990 852571770 /nfs/dbraw/zinc/57/17/70/852571770.db2.gz IIDRMXHQPHXOCC-QIJUGHKUSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489762663 852591879 /nfs/dbraw/zinc/59/18/79/852591879.db2.gz BCBIPHYSOUDHGK-UHFFFAOYSA-N 2 1 397.567 3.659 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261956026 852619542 /nfs/dbraw/zinc/61/95/42/852619542.db2.gz GQIVXEQDTPPJKM-UHFFFAOYSA-N 2 1 382.552 3.889 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC001127072472 852664099 /nfs/dbraw/zinc/66/40/99/852664099.db2.gz OXFDBJZCNKMQIL-OLKYXYMISA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001127072472 852664105 /nfs/dbraw/zinc/66/41/05/852664105.db2.gz OXFDBJZCNKMQIL-OLKYXYMISA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001127072472 852664112 /nfs/dbraw/zinc/66/41/12/852664112.db2.gz OXFDBJZCNKMQIL-OLKYXYMISA-N 2 1 397.607 3.723 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516579426 852747660 /nfs/dbraw/zinc/74/76/60/852747660.db2.gz WTEPHPLWEFAVIC-SIKLNZKXSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN[C@@H](C[NH3+])c3ccc4ccccc4c3)sc2C1 ZINC000414943266 852751300 /nfs/dbraw/zinc/75/13/00/852751300.db2.gz NOZSVJIROOQMJQ-FQEVSTJZSA-N 2 1 380.561 3.852 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414945850 852790759 /nfs/dbraw/zinc/79/07/59/852790759.db2.gz SIUJKIUJDFULCX-KSSFIOAISA-N 2 1 391.357 3.846 20 0 GHADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000516645327 852819417 /nfs/dbraw/zinc/81/94/17/852819417.db2.gz VUTAYMCHEQFLDK-UHFFFAOYSA-N 2 1 397.519 3.508 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000912875729 852840528 /nfs/dbraw/zinc/84/05/28/852840528.db2.gz OAPOIGAEEZGADV-UHFFFAOYSA-N 2 1 377.532 3.629 20 0 GHADMP C[N@@H+](CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000426151506 852852493 /nfs/dbraw/zinc/85/24/93/852852493.db2.gz WUCBRKLKLRPDCH-UHFFFAOYSA-N 2 1 388.556 3.547 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000438834512 852945746 /nfs/dbraw/zinc/94/57/46/852945746.db2.gz UBXJUUHSGNSYKB-UHFFFAOYSA-N 2 1 387.612 3.746 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(-n2ccnn2)cc1 ZINC000507509570 852988770 /nfs/dbraw/zinc/98/87/70/852988770.db2.gz LKQPIAGGZNJJPV-INDWIESVSA-N 2 1 387.531 3.829 20 0 GHADMP Cn1nc2c(c1C[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CSCC2 ZINC000894852811 853081175 /nfs/dbraw/zinc/08/11/75/853081175.db2.gz WEUAECVJMNQNNM-UHFFFAOYSA-N 2 1 396.604 3.698 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000516927558 853165070 /nfs/dbraw/zinc/16/50/70/853165070.db2.gz PYLBHASNMHNBQV-CYBMUJFWSA-N 2 1 389.284 3.872 20 0 GHADMP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473870768 853252364 /nfs/dbraw/zinc/25/23/64/853252364.db2.gz ABYHGCHCRMCGIN-DENIHFKCSA-N 2 1 386.584 3.726 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490965912 853375373 /nfs/dbraw/zinc/37/53/73/853375373.db2.gz OAFWYGIRBFGDFW-NZQKXSOJSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490965912 853375379 /nfs/dbraw/zinc/37/53/79/853375379.db2.gz OAFWYGIRBFGDFW-NZQKXSOJSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491017258 853398491 /nfs/dbraw/zinc/39/84/91/853398491.db2.gz CRSWZQHEEOBEEF-YKSBVNFPSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491017258 853398501 /nfs/dbraw/zinc/39/85/01/853398501.db2.gz CRSWZQHEEOBEEF-YKSBVNFPSA-N 2 1 379.548 3.937 20 0 GHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000491051735 853428023 /nfs/dbraw/zinc/42/80/23/853428023.db2.gz OWHDOODQXNJINB-GGAORHGYSA-N 2 1 379.548 3.660 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000491051735 853428028 /nfs/dbraw/zinc/42/80/28/853428028.db2.gz OWHDOODQXNJINB-GGAORHGYSA-N 2 1 379.548 3.660 20 0 GHADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000439213889 853430142 /nfs/dbraw/zinc/43/01/42/853430142.db2.gz SCNOJJILGPZKLM-OAQYLSRUSA-N 2 1 378.605 3.593 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2)CC1 ZINC000518531072 853456978 /nfs/dbraw/zinc/45/69/78/853456978.db2.gz GVXKRKTVGDRXKV-JTHBVZDNSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669125182 853466440 /nfs/dbraw/zinc/46/64/40/853466440.db2.gz XVUPJDUAICAASP-SFHVURJKSA-N 2 1 392.547 3.521 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623866343 862467314 /nfs/dbraw/zinc/46/73/14/862467314.db2.gz RTCVWNYRIKWEKG-IOMROCGXSA-N 2 1 399.560 3.765 20 0 GHADMP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CCO1 ZINC000664653951 853494247 /nfs/dbraw/zinc/49/42/47/853494247.db2.gz QAHALYZSTLMQGT-OAHLLOKOSA-N 2 1 378.314 3.544 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415909886 853622741 /nfs/dbraw/zinc/62/27/41/853622741.db2.gz UOKQXYRKWXUMBX-JOCHJYFZSA-N 2 1 380.536 3.924 20 0 GHADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(C(F)(F)F)c1 ZINC001212144908 853662672 /nfs/dbraw/zinc/66/26/72/853662672.db2.gz GTUPRLIVZHHFSV-HNNXBMFYSA-N 2 1 386.418 3.932 20 0 GHADMP Cc1cscc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000439490405 853699748 /nfs/dbraw/zinc/69/97/48/853699748.db2.gz HMZCSGHHQSSCRS-UHFFFAOYSA-N 2 1 378.586 3.717 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)cc2F)no1 ZINC001212145437 853717164 /nfs/dbraw/zinc/71/71/64/853717164.db2.gz UZIPSKGICLLQQU-AWEZNQCLSA-N 2 1 390.381 3.942 20 0 GHADMP C[C@H]1C[NH+](CCCNc2cc[nH+]c3cc(Br)ccc23)C[C@H](C)O1 ZINC000604757268 862497191 /nfs/dbraw/zinc/49/71/91/862497191.db2.gz VDQAWNFZLVLYCM-KBPBESRZSA-N 2 1 378.314 3.909 20 0 GHADMP CC1(C)CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cc(Br)ccc21 ZINC000481912794 862509367 /nfs/dbraw/zinc/50/93/67/862509367.db2.gz BQXYLSLOFLQBAF-LJQANCHMSA-N 2 1 395.385 3.998 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1(C)C ZINC000441345073 854138301 /nfs/dbraw/zinc/13/83/01/854138301.db2.gz ZQEGBVINDYMIGO-UHFFFAOYSA-N 2 1 385.527 3.520 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000112528182 854258661 /nfs/dbraw/zinc/25/86/61/854258661.db2.gz ZPHPXYCBVVOKFK-OALUTQOASA-N 2 1 397.567 3.955 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)c2)C[C@@H](C)O1 ZINC000572032633 854338400 /nfs/dbraw/zinc/33/84/00/854338400.db2.gz VBBDROYGMBAHDQ-JBYIUTFZSA-N 2 1 381.520 3.715 20 0 GHADMP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709196 854368906 /nfs/dbraw/zinc/36/89/06/854368906.db2.gz JQOZJFKZMGKCRI-KSZLIROESA-N 2 1 384.524 3.619 20 0 GHADMP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709196 854368914 /nfs/dbraw/zinc/36/89/14/854368914.db2.gz JQOZJFKZMGKCRI-KSZLIROESA-N 2 1 384.524 3.619 20 0 GHADMP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588711299 854369706 /nfs/dbraw/zinc/36/97/06/854369706.db2.gz YAEFEOMDSOIUBZ-QZTJIDSGSA-N 2 1 383.536 3.971 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000572110433 854395516 /nfs/dbraw/zinc/39/55/16/854395516.db2.gz OVSNCMWCYJNDDF-KRWDZBQOSA-N 2 1 381.524 3.512 20 0 GHADMP O=C1N(c2cccc(F)c2)CC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167993950 854395756 /nfs/dbraw/zinc/39/57/56/854395756.db2.gz UFLIUTAROLJRHL-CBQGHPETSA-N 2 1 397.538 3.660 20 0 GHADMP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000113256729 854460773 /nfs/dbraw/zinc/46/07/73/854460773.db2.gz MURILASNEHIJPC-NRFANRHFSA-N 2 1 377.960 3.712 20 0 GHADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000113256729 854460776 /nfs/dbraw/zinc/46/07/76/854460776.db2.gz MURILASNEHIJPC-NRFANRHFSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000624011915 862581698 /nfs/dbraw/zinc/58/16/98/862581698.db2.gz MFCBMPJMOCGWCO-XMSQKQJNSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000624011915 862581711 /nfs/dbraw/zinc/58/17/11/862581711.db2.gz MFCBMPJMOCGWCO-XMSQKQJNSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000481990101 862583169 /nfs/dbraw/zinc/58/31/69/862583169.db2.gz IGRYUWBZKLRLQV-OXJNMPFZSA-N 2 1 392.465 3.993 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000732925126 862593199 /nfs/dbraw/zinc/59/31/99/862593199.db2.gz CDVYNTDYIFMRJT-NRFANRHFSA-N 2 1 388.625 3.511 20 0 GHADMP CSC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC[NH+](C)CC1 ZINC000589345623 854800839 /nfs/dbraw/zinc/80/08/39/854800839.db2.gz ZXFQYMSKWHKBNI-UHFFFAOYSA-N 3 1 375.626 3.847 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000520462938 855026309 /nfs/dbraw/zinc/02/63/09/855026309.db2.gz IIGFCWNWLZUELZ-IYBDPMFKSA-N 2 1 393.373 3.945 20 0 GHADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000589950619 855203326 /nfs/dbraw/zinc/20/33/26/855203326.db2.gz FCACGNUWMLHQND-RBBKRZOGSA-N 2 1 387.543 3.515 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000589993290 855217760 /nfs/dbraw/zinc/21/77/60/855217760.db2.gz XPCGKCCIKFIZCU-QHCPKHFHSA-N 2 1 379.548 3.982 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000589998804 855220765 /nfs/dbraw/zinc/22/07/65/855220765.db2.gz QVXDPRKWEOFQKL-FQEVSTJZSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(-n2cnnn2)c1 ZINC000155764609 855235779 /nfs/dbraw/zinc/23/57/79/855235779.db2.gz ZWWMPMUKGWMEDK-MOPGFXCFSA-N 2 1 390.535 3.745 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1 ZINC000604998741 862684553 /nfs/dbraw/zinc/68/45/53/862684553.db2.gz YCXAYHMUECQDDO-BFJGLSHQSA-N 2 1 392.385 3.564 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1 ZINC000604998743 862684789 /nfs/dbraw/zinc/68/47/89/862684789.db2.gz YCXAYHMUECQDDO-XQASTXFUSA-N 2 1 392.385 3.564 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000590786611 855585558 /nfs/dbraw/zinc/58/55/58/855585558.db2.gz IBFFUVZRFCFJLP-HNNXBMFYSA-N 2 1 396.373 3.828 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002834 855631374 /nfs/dbraw/zinc/63/13/74/855631374.db2.gz ZQYGORCQJCWVIP-QBAGFEOCSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002834 855631377 /nfs/dbraw/zinc/63/13/77/855631377.db2.gz ZQYGORCQJCWVIP-QBAGFEOCSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002834 855631381 /nfs/dbraw/zinc/63/13/81/855631381.db2.gz ZQYGORCQJCWVIP-QBAGFEOCSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002834 855631383 /nfs/dbraw/zinc/63/13/83/855631383.db2.gz ZQYGORCQJCWVIP-QBAGFEOCSA-N 2 1 377.573 3.769 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000030640713 856120233 /nfs/dbraw/zinc/12/02/33/856120233.db2.gz PYUPRXCGBCZALT-UHFFFAOYSA-N 2 1 379.548 3.707 20 0 GHADMP Brc1cccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573447660 856130951 /nfs/dbraw/zinc/13/09/51/856130951.db2.gz DQWKZTNLMHLILK-JKSUJKDBSA-N 2 1 390.325 3.926 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905121680 856168998 /nfs/dbraw/zinc/16/89/98/856168998.db2.gz FDIVFHLPCVBEES-PGRDOPGGSA-N 2 1 393.531 3.723 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000700809966 856196978 /nfs/dbraw/zinc/19/69/78/856196978.db2.gz XNYXLKOAWSUSDL-WCIQWLHISA-N 2 1 379.589 3.876 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)C[C@@H]21 ZINC000579593649 856208123 /nfs/dbraw/zinc/20/81/23/856208123.db2.gz ZDHINVRJSHWLBH-ZVXPMLRVSA-N 2 1 397.950 3.605 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)C[C@@H]21 ZINC000579593649 856208133 /nfs/dbraw/zinc/20/81/33/856208133.db2.gz ZDHINVRJSHWLBH-ZVXPMLRVSA-N 2 1 397.950 3.605 20 0 GHADMP Cc1cccn2cc(CC[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)nc12 ZINC000156315402 856313829 /nfs/dbraw/zinc/31/38/29/856313829.db2.gz UDGCSNJXIQYSHJ-UHFFFAOYSA-N 2 1 380.511 3.621 20 0 GHADMP CN(C)C(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000172085601 856333054 /nfs/dbraw/zinc/33/30/54/856333054.db2.gz CEBHNALDRGAIQY-HSZRJFAPSA-N 2 1 379.548 3.982 20 0 GHADMP CN(C)C(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000172085604 856333256 /nfs/dbraw/zinc/33/32/56/856333256.db2.gz CEBHNALDRGAIQY-QHCPKHFHSA-N 2 1 379.548 3.982 20 0 GHADMP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000520751415 856339352 /nfs/dbraw/zinc/33/93/52/856339352.db2.gz BBRNQYTXWRPSNT-KSZLIROESA-N 2 1 391.987 3.930 20 0 GHADMP Cc1[nH]nc2ncc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc12 ZINC000573670839 856383055 /nfs/dbraw/zinc/38/30/55/856383055.db2.gz HGKFLCGAFBGNSX-UHFFFAOYSA-N 2 1 375.520 3.754 20 0 GHADMP CC(C)c1ccc(CN(C(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C2CC2)cc1 ZINC000485340570 856384175 /nfs/dbraw/zinc/38/41/75/856384175.db2.gz KRLAJZBRAXHKMM-GMAHTHKFSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C2CC2)cc1 ZINC000485340570 856384189 /nfs/dbraw/zinc/38/41/89/856384189.db2.gz KRLAJZBRAXHKMM-GMAHTHKFSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C2CC2)cc1 ZINC000485340570 856384201 /nfs/dbraw/zinc/38/42/01/856384201.db2.gz KRLAJZBRAXHKMM-GMAHTHKFSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C2CC2)cc1 ZINC000485340570 856384212 /nfs/dbraw/zinc/38/42/12/856384212.db2.gz KRLAJZBRAXHKMM-GMAHTHKFSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C2CC2)cc1 ZINC000485340570 856384218 /nfs/dbraw/zinc/38/42/18/856384218.db2.gz KRLAJZBRAXHKMM-GMAHTHKFSA-N 2 1 383.580 3.717 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000579625262 856403469 /nfs/dbraw/zinc/40/34/69/856403469.db2.gz UIMQTCSAUCPFCF-QFIPXVFZSA-N 2 1 398.595 3.735 20 0 GHADMP COc1ccc([C@H]2C[C@H](N(c3cccc(C)[nH+]3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168675007 856550168 /nfs/dbraw/zinc/55/01/68/856550168.db2.gz JMRYHBIOELJWMJ-IFMALSPDSA-N 2 1 381.520 3.877 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000110437516 856550573 /nfs/dbraw/zinc/55/05/73/856550573.db2.gz VLUJRCKOFKVGJT-IYBDPMFKSA-N 2 1 386.458 3.906 20 0 GHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508905498 856586871 /nfs/dbraw/zinc/58/68/71/856586871.db2.gz LKNNCSAHNSVBKU-NZQKXSOJSA-N 2 1 394.563 3.595 20 0 GHADMP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485481827 856654342 /nfs/dbraw/zinc/65/43/42/856654342.db2.gz VMEQTFDTCYTVOV-NRFANRHFSA-N 2 1 383.580 3.766 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000465880321 856734950 /nfs/dbraw/zinc/73/49/50/856734950.db2.gz RLNPIAGGIPUFMD-OAQYLSRUSA-N 2 1 398.551 3.585 20 0 GHADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465880321 856734954 /nfs/dbraw/zinc/73/49/54/856734954.db2.gz RLNPIAGGIPUFMD-OAQYLSRUSA-N 2 1 398.551 3.585 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465880321 856734955 /nfs/dbraw/zinc/73/49/55/856734955.db2.gz RLNPIAGGIPUFMD-OAQYLSRUSA-N 2 1 398.551 3.585 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465880321 856734959 /nfs/dbraw/zinc/73/49/59/856734959.db2.gz RLNPIAGGIPUFMD-OAQYLSRUSA-N 2 1 398.551 3.585 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465880321 856734961 /nfs/dbraw/zinc/73/49/61/856734961.db2.gz RLNPIAGGIPUFMD-OAQYLSRUSA-N 2 1 398.551 3.585 20 0 GHADMP CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000592471518 856886465 /nfs/dbraw/zinc/88/64/65/856886465.db2.gz UQQDNNQHQXLBJG-KRWDZBQOSA-N 2 1 389.499 3.859 20 0 GHADMP CCOC(=O)c1c(C[N@H+]2CC[C@@H](C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000592471518 856886472 /nfs/dbraw/zinc/88/64/72/856886472.db2.gz UQQDNNQHQXLBJG-KRWDZBQOSA-N 2 1 389.499 3.859 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000111814086 857017558 /nfs/dbraw/zinc/01/75/58/857017558.db2.gz STROENYNOAUUPL-IBGZPJMESA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665253052 857019699 /nfs/dbraw/zinc/01/96/99/857019699.db2.gz DUEMKCFADUHMJX-NLSFWIRASA-N 2 1 385.527 3.562 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)s1 ZINC000181409462 862865943 /nfs/dbraw/zinc/86/59/43/862865943.db2.gz IXNMDXMIJKYECO-QEJZJMRPSA-N 2 1 387.387 3.929 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000665255427 857101176 /nfs/dbraw/zinc/10/11/76/857101176.db2.gz SDFHQMAYLAGCMD-WAGURGNTSA-N 2 1 382.552 3.580 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185579 862872737 /nfs/dbraw/zinc/87/27/37/862872737.db2.gz FVWDWIQLSRLMQC-UHOSZYNNSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185579 862872755 /nfs/dbraw/zinc/87/27/55/862872755.db2.gz FVWDWIQLSRLMQC-UHOSZYNNSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185579 862872770 /nfs/dbraw/zinc/87/27/70/862872770.db2.gz FVWDWIQLSRLMQC-UHOSZYNNSA-N 2 1 397.485 3.689 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000921928529 857146720 /nfs/dbraw/zinc/14/67/20/857146720.db2.gz VAGCZBDSXVQRJM-SIKLNZKXSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000508310527 857151352 /nfs/dbraw/zinc/15/13/52/857151352.db2.gz ACULHQDRVLNDCO-AWEZNQCLSA-N 2 1 382.346 3.630 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc(OC)c1O ZINC000574082970 857216168 /nfs/dbraw/zinc/21/61/68/857216168.db2.gz YXKSFNVXSJVEPX-KRWDZBQOSA-N 2 1 384.520 3.931 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000474030423 857440116 /nfs/dbraw/zinc/44/01/16/857440116.db2.gz NBBOIHJVQSBKPO-BVVFMGSASA-N 2 1 398.595 3.877 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000675750498 857586791 /nfs/dbraw/zinc/58/67/91/857586791.db2.gz BJZKNXMFOJNNGT-XXBNENTESA-N 2 1 379.548 3.969 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000675750498 857586798 /nfs/dbraw/zinc/58/67/98/857586798.db2.gz BJZKNXMFOJNNGT-XXBNENTESA-N 2 1 379.548 3.969 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000486248536 857593536 /nfs/dbraw/zinc/59/35/36/857593536.db2.gz FCHUDBMFQMYEDJ-HXUWFJFHSA-N 2 1 383.540 3.859 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000486248536 857593537 /nfs/dbraw/zinc/59/35/37/857593537.db2.gz FCHUDBMFQMYEDJ-HXUWFJFHSA-N 2 1 383.540 3.859 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786945 857613066 /nfs/dbraw/zinc/61/30/66/857613066.db2.gz MMLDPXBKTBWNPS-JRFVFWCSSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786945 857613072 /nfs/dbraw/zinc/61/30/72/857613072.db2.gz MMLDPXBKTBWNPS-JRFVFWCSSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786945 857613076 /nfs/dbraw/zinc/61/30/76/857613076.db2.gz MMLDPXBKTBWNPS-JRFVFWCSSA-N 2 1 387.612 3.625 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)C1 ZINC000442226848 857619241 /nfs/dbraw/zinc/61/92/41/857619241.db2.gz BPDKGXUYUHSDDO-RBBKRZOGSA-N 2 1 397.567 3.615 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486390772 857702010 /nfs/dbraw/zinc/70/20/10/857702010.db2.gz WFFQHYJGXFRUHI-NFBKMPQASA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486390772 857702021 /nfs/dbraw/zinc/70/20/21/857702021.db2.gz WFFQHYJGXFRUHI-NFBKMPQASA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486390772 857702025 /nfs/dbraw/zinc/70/20/25/857702025.db2.gz WFFQHYJGXFRUHI-NFBKMPQASA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740784 857748733 /nfs/dbraw/zinc/74/87/33/857748733.db2.gz FCEWSEYZXKDXDX-DYESRHJHSA-N 2 1 394.519 3.563 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000181628693 862946498 /nfs/dbraw/zinc/94/64/98/862946498.db2.gz PHODOYGLSGCHRD-SFHVURJKSA-N 3 1 387.547 3.604 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000065522796 857812817 /nfs/dbraw/zinc/81/28/17/857812817.db2.gz HVJHUGSFKITDLB-FPOVZHCZSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000065522796 857812822 /nfs/dbraw/zinc/81/28/22/857812822.db2.gz HVJHUGSFKITDLB-FPOVZHCZSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000065522796 857812833 /nfs/dbraw/zinc/81/28/33/857812833.db2.gz HVJHUGSFKITDLB-FPOVZHCZSA-N 2 1 386.584 3.776 20 0 GHADMP CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000593963990 857832391 /nfs/dbraw/zinc/83/23/91/857832391.db2.gz WHXYPPWEFHPMBI-JOCHJYFZSA-N 2 1 383.536 3.802 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H](OCC(C)C)C3(C)C)CC2)oc1C ZINC000181740437 862993790 /nfs/dbraw/zinc/99/37/90/862993790.db2.gz RHQGAMPGPQCVTM-VQTJNVASSA-N 2 1 377.573 3.933 20 0 GHADMP CCCCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000442892506 858213917 /nfs/dbraw/zinc/21/39/17/858213917.db2.gz VHIGOOPRFHYLKI-GOSISDBHSA-N 2 1 377.573 3.551 20 0 GHADMP C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000673132190 858263843 /nfs/dbraw/zinc/26/38/43/858263843.db2.gz VLYKOQRRSVZTLF-WWPVKYPJSA-N 2 1 394.563 3.594 20 0 GHADMP COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000543093219 858312403 /nfs/dbraw/zinc/31/24/03/858312403.db2.gz YSVUDNRSHMEFBF-DENIHFKCSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000543093219 858312409 /nfs/dbraw/zinc/31/24/09/858312409.db2.gz YSVUDNRSHMEFBF-DENIHFKCSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000543093219 858312416 /nfs/dbraw/zinc/31/24/16/858312416.db2.gz YSVUDNRSHMEFBF-DENIHFKCSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000543093219 858312421 /nfs/dbraw/zinc/31/24/21/858312421.db2.gz YSVUDNRSHMEFBF-DENIHFKCSA-N 2 1 396.531 3.723 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000443061354 858329898 /nfs/dbraw/zinc/32/98/98/858329898.db2.gz RHMSPNIOGIHLII-RDTXWAMCSA-N 2 1 384.351 3.718 20 0 GHADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@@H]1c1ccccc1 ZINC000543097384 858341007 /nfs/dbraw/zinc/34/10/07/858341007.db2.gz YZGAYCNFUBNZJV-UFONIEFXSA-N 2 1 391.559 3.666 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595026521 858354681 /nfs/dbraw/zinc/35/46/81/858354681.db2.gz OWVBSCCGSBABML-KRWDZBQOSA-N 2 1 395.288 3.853 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NCc2c[nH+]c3n2CCCC3)[NH+](CC)CC)cc1 ZINC000574894188 858386665 /nfs/dbraw/zinc/38/66/65/858386665.db2.gz GGPSPMBEZCHEPI-NRFANRHFSA-N 2 1 397.567 3.664 20 0 GHADMP C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)n1ccnc1 ZINC000521881094 858400281 /nfs/dbraw/zinc/40/02/81/858400281.db2.gz PZUROAIOAXNIPL-INIZCTEOSA-N 2 1 394.441 3.588 20 0 GHADMP C[C@@H](CC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)n1ccnc1 ZINC000521881094 858400285 /nfs/dbraw/zinc/40/02/85/858400285.db2.gz PZUROAIOAXNIPL-INIZCTEOSA-N 2 1 394.441 3.588 20 0 GHADMP Clc1ccc([C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CC2)cc1Cl ZINC000574982342 858482833 /nfs/dbraw/zinc/48/28/33/858482833.db2.gz XYOPVKRKUZRMLN-QGZVFWFLSA-N 2 1 380.323 3.819 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)CCCn2ccnc2)cc1OC ZINC000575218505 858608435 /nfs/dbraw/zinc/60/84/35/858608435.db2.gz BXZMZAGPONGMFZ-UHFFFAOYSA-N 2 1 382.302 3.575 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000115794868 858669812 /nfs/dbraw/zinc/66/98/12/858669812.db2.gz YDGYIWZDRJJORG-WOJBJXKFSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115794868 858669817 /nfs/dbraw/zinc/66/98/17/858669817.db2.gz YDGYIWZDRJJORG-WOJBJXKFSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115794868 858669820 /nfs/dbraw/zinc/66/98/20/858669820.db2.gz YDGYIWZDRJJORG-WOJBJXKFSA-N 2 1 386.584 3.544 20 0 GHADMP COC1CC[NH+](C2(CN[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CCCC2)CC1 ZINC000482636017 858724586 /nfs/dbraw/zinc/72/45/86/858724586.db2.gz LCKLJDDRSMTCKL-QPPBQGQZSA-N 2 1 399.623 3.910 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2C)cc1 ZINC000183676910 858793842 /nfs/dbraw/zinc/79/38/42/858793842.db2.gz ULCKJHHHCMIGRQ-QZTJIDSGSA-N 2 1 376.504 3.845 20 0 GHADMP CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183689473 858798122 /nfs/dbraw/zinc/79/81/22/858798122.db2.gz BNFRDJXFMDBROE-KRWDZBQOSA-N 2 1 392.503 3.546 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccco1 ZINC000509616919 858812157 /nfs/dbraw/zinc/81/21/57/858812157.db2.gz YAOLFFJGUNHAPG-FMWKFLBASA-N 2 1 398.551 3.671 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(N(C)CC(F)F)CC2)cc1)C(C)C ZINC000074128592 858970073 /nfs/dbraw/zinc/97/00/73/858970073.db2.gz RLGZZROGRSQYKG-UHFFFAOYSA-N 2 1 381.511 3.718 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC1 ZINC000080517246 858981356 /nfs/dbraw/zinc/98/13/56/858981356.db2.gz MJVPDWMCFGCDSF-UHFFFAOYSA-N 2 1 379.976 3.779 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000668167118 858989605 /nfs/dbraw/zinc/98/96/05/858989605.db2.gz UCWFEDXJJFXDPM-CBQGHPETSA-N 2 1 396.604 3.861 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429686626 859005281 /nfs/dbraw/zinc/00/52/81/859005281.db2.gz OZXDARJNVROVCE-VJTSUQJLSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429686626 859005290 /nfs/dbraw/zinc/00/52/90/859005290.db2.gz OZXDARJNVROVCE-VJTSUQJLSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429686626 859005297 /nfs/dbraw/zinc/00/52/97/859005297.db2.gz OZXDARJNVROVCE-VJTSUQJLSA-N 2 1 399.623 3.864 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc4cc(OC)ccc4o3)C2)ccn1 ZINC000856552401 881373000 /nfs/dbraw/zinc/37/30/00/881373000.db2.gz MGUKHODYCJBGTO-NRFANRHFSA-N 2 1 395.503 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc4cc(OC)ccc4o3)C2)ccn1 ZINC000856552401 881373018 /nfs/dbraw/zinc/37/30/18/881373018.db2.gz MGUKHODYCJBGTO-NRFANRHFSA-N 2 1 395.503 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc4cc(OC)ccc4o3)C2)ccn1 ZINC000856552401 881373038 /nfs/dbraw/zinc/37/30/38/881373038.db2.gz MGUKHODYCJBGTO-NRFANRHFSA-N 2 1 395.503 3.941 20 0 GHADMP COc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1Cl ZINC000443602212 859030089 /nfs/dbraw/zinc/03/00/89/859030089.db2.gz IIRIHDGDTMKJQK-UHFFFAOYSA-N 2 1 393.959 3.875 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000522317522 859030193 /nfs/dbraw/zinc/03/01/93/859030193.db2.gz QQSWBBOWKVPTJX-HXUWFJFHSA-N 2 1 388.600 3.579 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553063 881383250 /nfs/dbraw/zinc/38/32/50/881383250.db2.gz TXKYIFWBWSFWRW-GHTZIAJQSA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553063 881383270 /nfs/dbraw/zinc/38/32/70/881383270.db2.gz TXKYIFWBWSFWRW-GHTZIAJQSA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553063 881383291 /nfs/dbraw/zinc/38/32/91/881383291.db2.gz TXKYIFWBWSFWRW-GHTZIAJQSA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000483068705 859115696 /nfs/dbraw/zinc/11/56/96/859115696.db2.gz NBZKFDJVFKLKNM-UHFFFAOYSA-N 2 1 387.337 3.911 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543282047 859124011 /nfs/dbraw/zinc/12/40/11/859124011.db2.gz XWDCTRLINGTMMP-GGPKGHCWSA-N 2 1 386.584 3.872 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000191483873 859178560 /nfs/dbraw/zinc/17/85/60/859178560.db2.gz KHFKLADWKQHSAE-MRXNPFEDSA-N 2 1 376.932 3.688 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000191483873 859178566 /nfs/dbraw/zinc/17/85/66/859178566.db2.gz KHFKLADWKQHSAE-MRXNPFEDSA-N 2 1 376.932 3.688 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000191499033 859215744 /nfs/dbraw/zinc/21/57/44/859215744.db2.gz WFXGGYMSRVJQEG-GOSISDBHSA-N 2 1 399.539 3.511 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000191499033 859215756 /nfs/dbraw/zinc/21/57/56/859215756.db2.gz WFXGGYMSRVJQEG-GOSISDBHSA-N 2 1 399.539 3.511 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(cc2OCC)C[C@H](C)O3)[C@H](C)C1 ZINC000532200405 881398210 /nfs/dbraw/zinc/39/82/10/881398210.db2.gz KPYAXJZCEWVNKQ-LQWHRVPQSA-N 2 1 390.568 3.635 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(cc2OCC)C[C@H](C)O3)[C@H](C)C1 ZINC000532200405 881398294 /nfs/dbraw/zinc/39/82/94/881398294.db2.gz KPYAXJZCEWVNKQ-LQWHRVPQSA-N 2 1 390.568 3.635 20 0 GHADMP Clc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479966266 859325974 /nfs/dbraw/zinc/32/59/74/859325974.db2.gz WCIYPSJHPOEMFO-BGYRXZFFSA-N 2 1 392.934 3.903 20 0 GHADMP Clc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479966266 859325980 /nfs/dbraw/zinc/32/59/80/859325980.db2.gz WCIYPSJHPOEMFO-BGYRXZFFSA-N 2 1 392.934 3.903 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@H]21 ZINC000483485111 859407444 /nfs/dbraw/zinc/40/74/44/859407444.db2.gz YZBMBILMQIYESD-AKFKNWHVSA-N 2 1 383.580 3.840 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)c2cc1C ZINC000113934646 859407383 /nfs/dbraw/zinc/40/73/83/859407383.db2.gz GZLIJSUBBUVHKE-FDFHNCONSA-N 2 1 398.595 3.600 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)c2cc1C ZINC000113934646 859407396 /nfs/dbraw/zinc/40/73/96/859407396.db2.gz GZLIJSUBBUVHKE-FDFHNCONSA-N 2 1 398.595 3.600 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)c2cc1C ZINC000113934646 859407403 /nfs/dbraw/zinc/40/74/03/859407403.db2.gz GZLIJSUBBUVHKE-FDFHNCONSA-N 2 1 398.595 3.600 20 0 GHADMP CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063262 859437624 /nfs/dbraw/zinc/43/76/24/859437624.db2.gz XRLXEALYJVLXSZ-UHFFFAOYSA-N 2 1 396.560 3.843 20 0 GHADMP CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063262 859437631 /nfs/dbraw/zinc/43/76/31/859437631.db2.gz XRLXEALYJVLXSZ-UHFFFAOYSA-N 2 1 396.560 3.843 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000114020662 859451780 /nfs/dbraw/zinc/45/17/80/859451780.db2.gz OVERWBMGZZKXTP-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000483684254 859536633 /nfs/dbraw/zinc/53/66/33/859536633.db2.gz NAVIZCWMJVALIX-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856560775 881442585 /nfs/dbraw/zinc/44/25/85/881442585.db2.gz QSNFWGUADPEAJX-JOCHJYFZSA-N 2 1 385.556 3.661 20 0 GHADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856560775 881442590 /nfs/dbraw/zinc/44/25/90/881442590.db2.gz QSNFWGUADPEAJX-JOCHJYFZSA-N 2 1 385.556 3.661 20 0 GHADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856560775 881442593 /nfs/dbraw/zinc/44/25/93/881442593.db2.gz QSNFWGUADPEAJX-JOCHJYFZSA-N 2 1 385.556 3.661 20 0 GHADMP COc1ccc(OC)c(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856561060 881442614 /nfs/dbraw/zinc/44/26/14/881442614.db2.gz LVKYANAXRMMCJM-QFIPXVFZSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856561060 881442620 /nfs/dbraw/zinc/44/26/20/881442620.db2.gz LVKYANAXRMMCJM-QFIPXVFZSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856561060 881442623 /nfs/dbraw/zinc/44/26/23/881442623.db2.gz LVKYANAXRMMCJM-QFIPXVFZSA-N 2 1 399.535 3.592 20 0 GHADMP CCC[N@H+](Cc1ccc2c(c1)OCCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477301 859626727 /nfs/dbraw/zinc/62/67/27/859626727.db2.gz CGFKDKVIWYXSGM-UHFFFAOYSA-N 2 1 396.535 3.746 20 0 GHADMP CCC[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477301 859626732 /nfs/dbraw/zinc/62/67/32/859626732.db2.gz CGFKDKVIWYXSGM-UHFFFAOYSA-N 2 1 396.535 3.746 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000611259325 859669403 /nfs/dbraw/zinc/66/94/03/859669403.db2.gz VLGRNAYRLSFKLJ-UHFFFAOYSA-N 2 1 382.504 3.580 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCSc2ccccc21 ZINC000543458515 859788855 /nfs/dbraw/zinc/78/88/55/859788855.db2.gz GISJDDMBAYJVIU-BZSNNMDCSA-N 2 1 387.593 3.756 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCSc2ccccc21 ZINC000543458515 859788863 /nfs/dbraw/zinc/78/88/63/859788863.db2.gz GISJDDMBAYJVIU-BZSNNMDCSA-N 2 1 387.593 3.756 20 0 GHADMP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(F)cc1 ZINC000512659520 859869534 /nfs/dbraw/zinc/86/95/34/859869534.db2.gz HRRKZHIGJAIZFL-YUXAGFNASA-N 2 1 381.495 3.655 20 0 GHADMP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(F)cc1 ZINC000512659520 859869539 /nfs/dbraw/zinc/86/95/39/859869539.db2.gz HRRKZHIGJAIZFL-YUXAGFNASA-N 2 1 381.495 3.655 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccnc(Cl)c3s1)C2 ZINC000922389122 859871026 /nfs/dbraw/zinc/87/10/26/859871026.db2.gz HLTKKCJNEZUXQS-IIHSZXCVSA-N 2 1 379.957 3.519 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)CC1 ZINC000513679455 859878808 /nfs/dbraw/zinc/87/88/08/859878808.db2.gz XNXYCULQCOGKRP-UHFFFAOYSA-N 2 1 391.559 3.730 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390505 859886395 /nfs/dbraw/zinc/88/63/95/859886395.db2.gz NJQNSFPUUNBERD-PRTQVNTJSA-N 2 1 399.510 3.582 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ncccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034526 860035449 /nfs/dbraw/zinc/03/54/49/860035449.db2.gz QIBWVCWHFFVPMT-JHDGKUDLSA-N 2 1 393.579 3.724 20 0 GHADMP CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000542652329 860088031 /nfs/dbraw/zinc/08/80/31/860088031.db2.gz HFYCPYIDNHKFTK-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000542652329 860088043 /nfs/dbraw/zinc/08/80/43/860088043.db2.gz HFYCPYIDNHKFTK-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP CC[C@H](c1ccccc1)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000537627790 881500124 /nfs/dbraw/zinc/50/01/24/881500124.db2.gz IMHSXCSUTNHAJW-JOCHJYFZSA-N 2 1 381.568 3.838 20 0 GHADMP CC[C@H](c1ccccc1)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000537627790 881500140 /nfs/dbraw/zinc/50/01/40/881500140.db2.gz IMHSXCSUTNHAJW-JOCHJYFZSA-N 2 1 381.568 3.838 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000282364110 860274978 /nfs/dbraw/zinc/27/49/78/860274978.db2.gz HWJULSNBSCQMDA-DEOSSOPVSA-N 2 1 392.591 3.936 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000282364110 860274984 /nfs/dbraw/zinc/27/49/84/860274984.db2.gz HWJULSNBSCQMDA-DEOSSOPVSA-N 2 1 392.591 3.936 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000484717685 860285558 /nfs/dbraw/zinc/28/55/58/860285558.db2.gz YSANPOWYNJXFEK-YHYVQYDKSA-N 2 1 398.526 3.563 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000173611388 860442478 /nfs/dbraw/zinc/44/24/78/860442478.db2.gz BEVGERHYJVJQOX-HXUWFJFHSA-N 2 1 394.563 3.633 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000173611388 860442481 /nfs/dbraw/zinc/44/24/81/860442481.db2.gz BEVGERHYJVJQOX-HXUWFJFHSA-N 2 1 394.563 3.633 20 0 GHADMP Oc1ccc(Br)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904474933 860466960 /nfs/dbraw/zinc/46/69/60/860466960.db2.gz MTYOBFJMVZCRMX-HKUYNNGSSA-N 2 1 389.293 3.500 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nsc4ccccc34)C2)ccn1 ZINC000856583825 881552506 /nfs/dbraw/zinc/55/25/06/881552506.db2.gz AOGNABCIQIHVDD-SFHVURJKSA-N 2 1 382.533 3.796 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nsc4ccccc34)C2)ccn1 ZINC000856583825 881552521 /nfs/dbraw/zinc/55/25/21/881552521.db2.gz AOGNABCIQIHVDD-SFHVURJKSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nsc4ccccc34)C2)ccn1 ZINC000856583825 881552529 /nfs/dbraw/zinc/55/25/29/881552529.db2.gz AOGNABCIQIHVDD-SFHVURJKSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nsc4ccccc34)C2)ccn1 ZINC000856583825 881552542 /nfs/dbraw/zinc/55/25/42/881552542.db2.gz AOGNABCIQIHVDD-SFHVURJKSA-N 2 1 382.533 3.796 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000484998407 860579439 /nfs/dbraw/zinc/57/94/39/860579439.db2.gz XGCWWCNAQMEXNE-PKOBYXMFSA-N 2 1 376.504 3.717 20 0 GHADMP C[C@H]([NH2+]C1(C[NH2+]C2CCN(c3cnccn3)CC2)CCCC1)c1ccccc1 ZINC000532230423 881558142 /nfs/dbraw/zinc/55/81/42/881558142.db2.gz QRRYCVMSHXLFPG-IBGZPJMESA-N 2 1 379.552 3.699 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(-c4ccccc4)o3)C2)ccn1 ZINC000856592424 881562331 /nfs/dbraw/zinc/56/23/31/881562331.db2.gz HLGZNANDEIMQAC-OAQYLSRUSA-N 2 1 392.503 3.842 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(-c4ccccc4)o3)C2)ccn1 ZINC000856592424 881562352 /nfs/dbraw/zinc/56/23/52/881562352.db2.gz HLGZNANDEIMQAC-OAQYLSRUSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)ccn1 ZINC000856592424 881562368 /nfs/dbraw/zinc/56/23/68/881562368.db2.gz HLGZNANDEIMQAC-OAQYLSRUSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)ccn1 ZINC000856592424 881562381 /nfs/dbraw/zinc/56/23/81/881562381.db2.gz HLGZNANDEIMQAC-OAQYLSRUSA-N 2 1 392.503 3.842 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000474797527 860785776 /nfs/dbraw/zinc/78/57/76/860785776.db2.gz FBJJFXWHYXCVOE-UHFFFAOYSA-N 2 1 380.573 3.512 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CO)CC2)C1 ZINC000532232693 881585062 /nfs/dbraw/zinc/58/50/62/881585062.db2.gz YCMLPXGOMGEUCL-VQPAQMSKSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CN(Cc4ccccc4)CC[C@H]3CO)CC2)C1 ZINC000532232693 881585079 /nfs/dbraw/zinc/58/50/79/881585079.db2.gz YCMLPXGOMGEUCL-VQPAQMSKSA-N 2 1 399.623 3.502 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000623363452 860936097 /nfs/dbraw/zinc/93/60/97/860936097.db2.gz VFHQEZPZEJYPFQ-ICSRJNTNSA-N 2 1 387.568 3.601 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000623363452 860936112 /nfs/dbraw/zinc/93/61/12/860936112.db2.gz VFHQEZPZEJYPFQ-ICSRJNTNSA-N 2 1 387.568 3.601 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)o1 ZINC000600145084 861120490 /nfs/dbraw/zinc/12/04/90/861120490.db2.gz MXUDLWKQBXMXAN-QGZVFWFLSA-N 2 1 385.508 3.767 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)nnn1-c1ccccc1 ZINC000482447422 863137637 /nfs/dbraw/zinc/13/76/37/863137637.db2.gz MHHPJBBUNVZTNU-GOSISDBHSA-N 2 1 393.535 3.757 20 0 GHADMP C[N@@H+](CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477526 863187251 /nfs/dbraw/zinc/18/72/51/863187251.db2.gz LZVIOLJKBMROIV-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477526 863187259 /nfs/dbraw/zinc/18/72/59/863187259.db2.gz LZVIOLJKBMROIV-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477526 863187265 /nfs/dbraw/zinc/18/72/65/863187265.db2.gz LZVIOLJKBMROIV-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482560127 863314286 /nfs/dbraw/zinc/31/42/86/863314286.db2.gz ZPEACDAKRMTRIC-GHTZIAJQSA-N 2 1 395.547 3.600 20 0 GHADMP Ic1ccc([C@H]2CCCN2CCCn2ccnc2)cc1 ZINC000182804058 863360509 /nfs/dbraw/zinc/36/05/09/863360509.db2.gz TUKFYQWEZMNZOU-MRXNPFEDSA-N 2 1 381.261 3.715 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[NH+]1CCCCC1 ZINC000606376311 863570540 /nfs/dbraw/zinc/57/05/40/863570540.db2.gz OHEHUQVLLVDBEP-KNKQGSTJSA-N 2 1 387.568 3.745 20 0 GHADMP Fc1cccc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)c1 ZINC000158547636 863869261 /nfs/dbraw/zinc/86/92/61/863869261.db2.gz UXYYAPMEEMRLPN-HSZRJFAPSA-N 2 1 389.559 3.586 20 0 GHADMP COc1cc2c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)cc[nH+]c2cc1F ZINC000480108351 864046710 /nfs/dbraw/zinc/04/67/10/864046710.db2.gz JOTKFGSRPUERGT-KRWDZBQOSA-N 2 1 381.451 3.561 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000554275281 864057356 /nfs/dbraw/zinc/05/73/56/864057356.db2.gz RJKUAHSYLHBLLU-INIZCTEOSA-N 2 1 399.501 3.557 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000469870347 864146387 /nfs/dbraw/zinc/14/63/87/864146387.db2.gz CFCAJBWZYMYFDX-GDIGMMSISA-N 2 1 389.341 3.502 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=S)NC1CC[NH+](C)CC1)C1CCCCC1 ZINC000063150401 864199802 /nfs/dbraw/zinc/19/98/02/864199802.db2.gz BIQGFRMTDRPFGV-UHFFFAOYSA-N 2 1 388.625 3.509 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000621647036 864347952 /nfs/dbraw/zinc/34/79/52/864347952.db2.gz BTFJURLTJPKSBO-YLJYHZDGSA-N 2 1 377.960 3.591 20 0 GHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000734849622 864475436 /nfs/dbraw/zinc/47/54/36/864475436.db2.gz CNWWAYYHTRBUDF-WIYYLYMNSA-N 2 1 388.600 3.960 20 0 GHADMP CCC1=NC2(CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)C(=O)N1C ZINC001168059116 864494408 /nfs/dbraw/zinc/49/44/08/864494408.db2.gz SAEOHYKHYWPFNK-CEQLMSFQSA-N 2 1 396.579 3.543 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165664251 864690193 /nfs/dbraw/zinc/69/01/93/864690193.db2.gz KGJQRVDWVFVNPH-NRFANRHFSA-N 2 1 387.568 3.601 20 0 GHADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000607805915 864762986 /nfs/dbraw/zinc/76/29/86/864762986.db2.gz XILQEBKRGWGWJE-CQSZACIVSA-N 2 1 392.425 3.594 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000444338102 864812239 /nfs/dbraw/zinc/81/22/39/864812239.db2.gz CJLKRJZGRVFBHY-HNNXBMFYSA-N 2 1 383.540 3.850 20 0 GHADMP Cc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)nc(N)[nH+]1 ZINC000735490553 864826064 /nfs/dbraw/zinc/82/60/64/864826064.db2.gz UGKVWIXWYMEXFO-RHSMWYFYSA-N 2 1 379.430 3.881 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)c1 ZINC000480577483 864901481 /nfs/dbraw/zinc/90/14/81/864901481.db2.gz FWGMRDDQFWBDOT-GBXCKJPGSA-N 2 1 381.564 3.690 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000608061204 864955131 /nfs/dbraw/zinc/95/51/31/864955131.db2.gz GHAYDVXPLIVUER-GCJKJVERSA-N 2 1 375.520 3.566 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)(C)c1ccccc1 ZINC000480619780 864978455 /nfs/dbraw/zinc/97/84/55/864978455.db2.gz QDLSUTHHKQPOKS-IBGZPJMESA-N 2 1 379.548 3.530 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1)CC1CC1 ZINC001168423984 865056879 /nfs/dbraw/zinc/05/68/79/865056879.db2.gz SWOMILXZZYXSQW-MRXNPFEDSA-N 2 1 386.449 3.769 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C(C)C)cc1Cl ZINC000429539820 881834093 /nfs/dbraw/zinc/83/40/93/881834093.db2.gz VWSHEEHODIDNKY-ROUUACIJSA-N 2 1 382.976 3.928 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C(C)C)cc1Cl ZINC000429539820 881834115 /nfs/dbraw/zinc/83/41/15/881834115.db2.gz VWSHEEHODIDNKY-ROUUACIJSA-N 2 1 382.976 3.928 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC000171387275 865236235 /nfs/dbraw/zinc/23/62/35/865236235.db2.gz MJDRXRNTYHSVDU-QZTJIDSGSA-N 2 1 383.536 3.806 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[NH+]1CCc2sccc2C1 ZINC000856925697 881860682 /nfs/dbraw/zinc/86/06/82/881860682.db2.gz ZSGFZHIOTLFBDR-FXAWDEMLSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCc2sccc2C1 ZINC000856925697 881860694 /nfs/dbraw/zinc/86/06/94/881860694.db2.gz ZSGFZHIOTLFBDR-FXAWDEMLSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@@H+]1CCc2sccc2C1 ZINC000856925697 881860708 /nfs/dbraw/zinc/86/07/08/881860708.db2.gz ZSGFZHIOTLFBDR-FXAWDEMLSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@H+]1CCc2sccc2C1 ZINC000856925697 881860720 /nfs/dbraw/zinc/86/07/20/881860720.db2.gz ZSGFZHIOTLFBDR-FXAWDEMLSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133017952 881866527 /nfs/dbraw/zinc/86/65/27/881866527.db2.gz LWQAJDQCRKVPFU-OAQYLSRUSA-N 3 1 386.628 3.819 20 0 GHADMP COC(=O)[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccccc1F ZINC000174116933 865422447 /nfs/dbraw/zinc/42/24/47/865422447.db2.gz JURAKOAXQKOYNK-QFIPXVFZSA-N 2 1 399.510 3.930 20 0 GHADMP COc1cccc2c(NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)cc(C)[nH+]c12 ZINC000301660730 865482160 /nfs/dbraw/zinc/48/21/60/865482160.db2.gz JJXDATOFTIKWPA-UHFFFAOYSA-N 2 1 398.551 3.590 20 0 GHADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000738312774 865528854 /nfs/dbraw/zinc/52/88/54/865528854.db2.gz CBAUIOUKPSIPCV-SIKLNZKXSA-N 2 1 386.584 3.668 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000738989333 865683770 /nfs/dbraw/zinc/68/37/70/865683770.db2.gz AGBGPVUUMBIGBL-UHFFFAOYSA-N 2 1 390.616 3.691 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000533984865 865700867 /nfs/dbraw/zinc/70/08/67/865700867.db2.gz AKIFSAMSWDFTBQ-BBITVKMKSA-N 2 1 398.595 3.774 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000667819488 865831214 /nfs/dbraw/zinc/83/12/14/865831214.db2.gz QDYLUUWEOJWPKW-IFMALSPDSA-N 2 1 378.520 3.664 20 0 GHADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)CC[N@H+](C)C3CCCCC3)c2)C[C@H](C)O1 ZINC000555295643 865863286 /nfs/dbraw/zinc/86/32/86/865863286.db2.gz RKQGPNLJPIKIEL-OALUTQOASA-N 2 1 387.568 3.889 20 0 GHADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)C[C@H](C)O1 ZINC000555295643 865863301 /nfs/dbraw/zinc/86/33/01/865863301.db2.gz RKQGPNLJPIKIEL-OALUTQOASA-N 2 1 387.568 3.889 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000481170109 865913493 /nfs/dbraw/zinc/91/34/93/865913493.db2.gz CHUPIUCDAXAJSR-GHTZIAJQSA-N 2 1 382.504 3.684 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000481170109 865913504 /nfs/dbraw/zinc/91/35/04/865913504.db2.gz CHUPIUCDAXAJSR-GHTZIAJQSA-N 2 1 382.504 3.684 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000481177059 865929305 /nfs/dbraw/zinc/92/93/05/865929305.db2.gz YNKAMCDBFHNPFJ-RZPHLTDDSA-N 2 1 391.559 3.754 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000481177059 865929313 /nfs/dbraw/zinc/92/93/13/865929313.db2.gz YNKAMCDBFHNPFJ-RZPHLTDDSA-N 2 1 391.559 3.754 20 0 GHADMP COc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OCc1ccc(Cl)cc1 ZINC000623086695 866004701 /nfs/dbraw/zinc/00/47/01/866004701.db2.gz FQCZCONPLXGRDO-UHFFFAOYSA-N 2 1 385.895 3.993 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C(C)C)cc1F ZINC000552838440 866331723 /nfs/dbraw/zinc/33/17/23/866331723.db2.gz TXCVAPKXHDXIQB-LJQANCHMSA-N 2 1 397.494 3.973 20 0 GHADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CCN(CCn2cccn2)CC1 ZINC000121210847 881969414 /nfs/dbraw/zinc/96/94/14/881969414.db2.gz WRMMUZLWMZWGKV-UHFFFAOYSA-N 2 1 398.942 3.523 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000553006773 866614057 /nfs/dbraw/zinc/61/40/57/866614057.db2.gz SAIQREUXFDRIPV-QHCPKHFHSA-N 2 1 391.559 3.598 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000478801916 866671444 /nfs/dbraw/zinc/67/14/44/866671444.db2.gz SCAYTQIFNSIDBA-TXTKFYIRSA-N 2 1 398.595 3.687 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857092815 882007126 /nfs/dbraw/zinc/00/71/26/882007126.db2.gz QWJLHFYYWKGRFV-QHCPKHFHSA-N 2 1 379.548 3.830 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000114456857 866767241 /nfs/dbraw/zinc/76/72/41/866767241.db2.gz JMYVYNOUFZYXFS-QFIPXVFZSA-N 2 1 382.552 3.684 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)CC1 ZINC000114456857 866767249 /nfs/dbraw/zinc/76/72/49/866767249.db2.gz JMYVYNOUFZYXFS-QFIPXVFZSA-N 2 1 382.552 3.684 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(OC)c1 ZINC000127293329 866804194 /nfs/dbraw/zinc/80/41/94/866804194.db2.gz HIEVSXFLKIPPDM-HYFFOGBASA-N 2 1 391.556 3.521 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479071584 867093742 /nfs/dbraw/zinc/09/37/42/867093742.db2.gz SKQNBSVPMJRDNQ-LPHOPBHVSA-N 2 1 399.348 3.866 20 0 GHADMP CN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000857153239 882061273 /nfs/dbraw/zinc/06/12/73/882061273.db2.gz UTNCMRWHDHQOTN-DNQXCXABSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000857153239 882061294 /nfs/dbraw/zinc/06/12/94/882061294.db2.gz UTNCMRWHDHQOTN-DNQXCXABSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000857153239 882061307 /nfs/dbraw/zinc/06/13/07/882061307.db2.gz UTNCMRWHDHQOTN-DNQXCXABSA-N 2 1 391.559 3.842 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2sc(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000189997074 882065666 /nfs/dbraw/zinc/06/56/66/882065666.db2.gz JWJOSQGBKBATLA-TZMCWYRMSA-N 2 1 379.492 3.697 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sc(C)nc2C(F)(F)F)[C@H](C)C1 ZINC000189997074 882065673 /nfs/dbraw/zinc/06/56/73/882065673.db2.gz JWJOSQGBKBATLA-TZMCWYRMSA-N 2 1 379.492 3.697 20 0 GHADMP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000479367256 867632324 /nfs/dbraw/zinc/63/23/24/867632324.db2.gz WQKUHUFFAARYNB-QRWLVFNGSA-N 2 1 395.385 3.899 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000857197805 882108660 /nfs/dbraw/zinc/10/86/60/882108660.db2.gz DUSHBMXYNIKRSE-URXFXBBRSA-N 2 1 391.559 3.748 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000857197805 882108667 /nfs/dbraw/zinc/10/86/67/882108667.db2.gz DUSHBMXYNIKRSE-URXFXBBRSA-N 2 1 391.559 3.748 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000857197805 882108673 /nfs/dbraw/zinc/10/86/73/882108673.db2.gz DUSHBMXYNIKRSE-URXFXBBRSA-N 2 1 391.559 3.748 20 0 GHADMP CC1(C)CCC[N@@H+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000445098574 867775640 /nfs/dbraw/zinc/77/56/40/867775640.db2.gz CXPJEAGDEZPUIL-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)CCC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000445098574 867775654 /nfs/dbraw/zinc/77/56/54/867775654.db2.gz CXPJEAGDEZPUIL-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)CCC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000445098574 867775672 /nfs/dbraw/zinc/77/56/72/867775672.db2.gz CXPJEAGDEZPUIL-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP O=C1CCCN1c1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000155273769 867847834 /nfs/dbraw/zinc/84/78/34/867847834.db2.gz PRWUTLRNTQDYGA-UHFFFAOYSA-N 2 1 377.532 3.610 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534963733 867878112 /nfs/dbraw/zinc/87/81/12/867878112.db2.gz JPOQCRHLHMESRS-UHFFFAOYSA-N 2 1 378.516 3.961 20 0 GHADMP COc1ccc2oc(C[NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)cc2c1 ZINC000535000840 867889319 /nfs/dbraw/zinc/88/93/19/867889319.db2.gz QVXIHHROKMMMGU-LJQANCHMSA-N 2 1 385.533 3.581 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000523812659 868032171 /nfs/dbraw/zinc/03/21/71/868032171.db2.gz UJUCHRQQPMCJJQ-YLJYHZDGSA-N 2 1 392.975 3.506 20 0 GHADMP COc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000133293762 882148950 /nfs/dbraw/zinc/14/89/50/882148950.db2.gz XCOZAEXFHMGLHN-QFIPXVFZSA-N 2 1 393.575 3.818 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000155777371 868098724 /nfs/dbraw/zinc/09/87/24/868098724.db2.gz RVCBULGFAYZFHH-OALUTQOASA-N 2 1 390.535 3.745 20 0 GHADMP C[C@H]1[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000479652234 868307777 /nfs/dbraw/zinc/30/77/77/868307777.db2.gz YBAPBHFJOBMQNT-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000479652234 868307784 /nfs/dbraw/zinc/30/77/84/868307784.db2.gz YBAPBHFJOBMQNT-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000479652234 868307795 /nfs/dbraw/zinc/30/77/95/868307795.db2.gz YBAPBHFJOBMQNT-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000457467627 868309660 /nfs/dbraw/zinc/30/96/60/868309660.db2.gz CAKHELVAFVZKMW-RBUKOAKNSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156978399 868519652 /nfs/dbraw/zinc/51/96/52/868519652.db2.gz UAJXDLSVQIVECM-NIJIEXERSA-N 2 1 395.522 3.546 20 0 GHADMP CN(c1ccccc1C[N@H+](CCC[NH3+])Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000479964193 868805813 /nfs/dbraw/zinc/80/58/13/868805813.db2.gz TWVZWVLEJOPGDB-UHFFFAOYSA-N 3 1 380.580 3.568 20 0 GHADMP CN(c1ccccc1C[N@@H+](CCC[NH3+])Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000479964193 868805830 /nfs/dbraw/zinc/80/58/30/868805830.db2.gz TWVZWVLEJOPGDB-UHFFFAOYSA-N 3 1 380.580 3.568 20 0 GHADMP CCOc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)n1 ZINC000158002768 868828169 /nfs/dbraw/zinc/82/81/69/868828169.db2.gz SAUKDBYXCGRYOC-QGZVFWFLSA-N 2 1 386.515 3.612 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000524288578 868833642 /nfs/dbraw/zinc/83/36/42/868833642.db2.gz HUDFVSRZIKIPQM-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP CCC[N@H+](CCCOCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000158145747 868875955 /nfs/dbraw/zinc/87/59/55/868875955.db2.gz WIPJXXWRTRSWTM-UHFFFAOYSA-N 2 1 388.478 3.743 20 0 GHADMP CCC[N@@H+](CCCOCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000158145747 868875969 /nfs/dbraw/zinc/87/59/69/868875969.db2.gz WIPJXXWRTRSWTM-UHFFFAOYSA-N 2 1 388.478 3.743 20 0 GHADMP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000190730696 882256067 /nfs/dbraw/zinc/25/60/67/882256067.db2.gz ZQRBUMTUNHYUPU-BGYRXZFFSA-N 2 1 396.579 3.825 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1)CC(C)C ZINC000446204928 869541718 /nfs/dbraw/zinc/54/17/18/869541718.db2.gz GVLZXHOTWLVXBU-LJQANCHMSA-N 2 1 390.572 3.699 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000524878510 869709577 /nfs/dbraw/zinc/70/95/77/869709577.db2.gz GRDBHOZRDYANBQ-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000524923856 869794511 /nfs/dbraw/zinc/79/45/11/869794511.db2.gz CXRHJSSZHAJCIR-TZIWHRDSSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121949261 882347253 /nfs/dbraw/zinc/34/72/53/882347253.db2.gz YJBSYISGNOFPST-KRWDZBQOSA-N 2 1 383.540 3.805 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2)n1 ZINC000539831993 869870883 /nfs/dbraw/zinc/87/08/83/869870883.db2.gz OWRWSWDMJZRIBN-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2)n1 ZINC000539831993 869870901 /nfs/dbraw/zinc/87/09/01/869870901.db2.gz OWRWSWDMJZRIBN-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2)n1 ZINC000539831993 869870915 /nfs/dbraw/zinc/87/09/15/869870915.db2.gz OWRWSWDMJZRIBN-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000539864293 869926914 /nfs/dbraw/zinc/92/69/14/869926914.db2.gz XCXTZETWCKSYJW-UHFFFAOYSA-N 2 1 385.474 3.576 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462745572 870011244 /nfs/dbraw/zinc/01/12/44/870011244.db2.gz PNAHYZHVXYGXJP-ZRBLBEILSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462745572 870011262 /nfs/dbraw/zinc/01/12/62/870011262.db2.gz PNAHYZHVXYGXJP-ZRBLBEILSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462745572 870011278 /nfs/dbraw/zinc/01/12/78/870011278.db2.gz PNAHYZHVXYGXJP-ZRBLBEILSA-N 2 1 398.595 3.557 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000539967190 870124298 /nfs/dbraw/zinc/12/42/98/870124298.db2.gz DLCQQCMLDCBFGI-HKUYNNGSSA-N 2 1 381.358 3.653 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]34)c2)C1 ZINC000462852235 870203712 /nfs/dbraw/zinc/20/37/12/870203712.db2.gz DHVKOZNCUFGDOZ-MJTJJFPGSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)c2)C1 ZINC000462852235 870203721 /nfs/dbraw/zinc/20/37/21/870203721.db2.gz DHVKOZNCUFGDOZ-MJTJJFPGSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)c2)C1 ZINC000462852235 870203735 /nfs/dbraw/zinc/20/37/35/870203735.db2.gz DHVKOZNCUFGDOZ-MJTJJFPGSA-N 2 1 391.559 3.576 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000247977890 870252522 /nfs/dbraw/zinc/25/25/22/870252522.db2.gz LPIWMKRCTXKRPQ-RBUKOAKNSA-N 2 1 389.588 3.514 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000247977890 870252547 /nfs/dbraw/zinc/25/25/47/870252547.db2.gz LPIWMKRCTXKRPQ-RBUKOAKNSA-N 2 1 389.588 3.514 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC001192271343 870253523 /nfs/dbraw/zinc/25/35/23/870253523.db2.gz GOMRDIKOZOXSEV-XMMPIXPASA-N 2 1 395.591 3.778 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001192271343 870253537 /nfs/dbraw/zinc/25/35/37/870253537.db2.gz GOMRDIKOZOXSEV-XMMPIXPASA-N 2 1 395.591 3.778 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001192271343 870253551 /nfs/dbraw/zinc/25/35/51/870253551.db2.gz GOMRDIKOZOXSEV-XMMPIXPASA-N 2 1 395.591 3.778 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000248042207 870270009 /nfs/dbraw/zinc/27/00/09/870270009.db2.gz TXNDCVUNURRAOK-FGCOXFRFSA-N 2 1 380.580 3.965 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000248042207 870270021 /nfs/dbraw/zinc/27/00/21/870270021.db2.gz TXNDCVUNURRAOK-FGCOXFRFSA-N 2 1 380.580 3.965 20 0 GHADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043699 870291641 /nfs/dbraw/zinc/29/16/41/870291641.db2.gz DQJMHJZNKMSSEX-UGKGYDQZSA-N 2 1 386.584 3.657 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000248176784 870310383 /nfs/dbraw/zinc/31/03/83/870310383.db2.gz VSPNSWCSFBDMOW-DENIHFKCSA-N 2 1 379.548 3.852 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n(C)c1C ZINC000462904594 870350533 /nfs/dbraw/zinc/35/05/33/870350533.db2.gz WKYJYOPWQKLBMK-FQEVSTJZSA-N 2 1 383.536 3.512 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000462904594 870350545 /nfs/dbraw/zinc/35/05/45/870350545.db2.gz WKYJYOPWQKLBMK-FQEVSTJZSA-N 2 1 383.536 3.512 20 0 GHADMP Nc1nc(CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)nc2sc3c(c21)CCCC3 ZINC000540068125 870359118 /nfs/dbraw/zinc/35/91/18/870359118.db2.gz WIZYKFQMYAXVMN-MRXNPFEDSA-N 2 1 399.608 3.503 20 0 GHADMP Nc1nc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)nc2sc3c(c21)CCCC3 ZINC000540068125 870359133 /nfs/dbraw/zinc/35/91/33/870359133.db2.gz WIZYKFQMYAXVMN-MRXNPFEDSA-N 2 1 399.608 3.503 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000248392308 870360213 /nfs/dbraw/zinc/36/02/13/870360213.db2.gz FGDQRWGIFNNXMK-HROJSSOGSA-N 2 1 397.538 3.530 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000248392308 870360226 /nfs/dbraw/zinc/36/02/26/870360226.db2.gz FGDQRWGIFNNXMK-HROJSSOGSA-N 2 1 397.538 3.530 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)CC1 ZINC000248396104 870366000 /nfs/dbraw/zinc/36/60/00/870366000.db2.gz GYZICEZBIZGWGY-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000248396104 870366030 /nfs/dbraw/zinc/36/60/30/870366030.db2.gz GYZICEZBIZGWGY-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000248396104 870366092 /nfs/dbraw/zinc/36/60/92/870366092.db2.gz GYZICEZBIZGWGY-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000248418608 870397988 /nfs/dbraw/zinc/39/79/88/870397988.db2.gz SXOJHUMQUYPBMC-KMDXXIMOSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000248418608 870398007 /nfs/dbraw/zinc/39/80/07/870398007.db2.gz SXOJHUMQUYPBMC-KMDXXIMOSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000248418608 870398030 /nfs/dbraw/zinc/39/80/30/870398030.db2.gz SXOJHUMQUYPBMC-KMDXXIMOSA-N 2 1 397.607 3.522 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)[C@@H](C)C1 ZINC000248423551 870403256 /nfs/dbraw/zinc/40/32/56/870403256.db2.gz ZGHXWXKIHNFFRT-NWYALFIFSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H](C)C1 ZINC000248423551 870403269 /nfs/dbraw/zinc/40/32/69/870403269.db2.gz ZGHXWXKIHNFFRT-NWYALFIFSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H](C)C1 ZINC000248423551 870403282 /nfs/dbraw/zinc/40/32/82/870403282.db2.gz ZGHXWXKIHNFFRT-NWYALFIFSA-N 2 1 399.623 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)[C@@H](C)C1 ZINC000248423551 870403296 /nfs/dbraw/zinc/40/32/96/870403296.db2.gz ZGHXWXKIHNFFRT-NWYALFIFSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)[C@@H](C)C1 ZINC000248423551 870403314 /nfs/dbraw/zinc/40/33/14/870403314.db2.gz ZGHXWXKIHNFFRT-NWYALFIFSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H](C)C1 ZINC000248423551 870403362 /nfs/dbraw/zinc/40/33/62/870403362.db2.gz ZGHXWXKIHNFFRT-NWYALFIFSA-N 3 1 399.623 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H](C)C1 ZINC000248423551 870403674 /nfs/dbraw/zinc/40/36/74/870403674.db2.gz ZGHXWXKIHNFFRT-NWYALFIFSA-N 3 1 399.623 3.624 20 0 GHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248442158 870423226 /nfs/dbraw/zinc/42/32/26/870423226.db2.gz KQOKYUOKRUIDGR-FYYLOGMGSA-N 2 1 380.532 3.874 20 0 GHADMP CC(C)(C)[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001192481932 870455553 /nfs/dbraw/zinc/45/55/53/870455553.db2.gz RQBPOOJSPSPQJJ-FXAWDEMLSA-N 2 1 391.987 3.961 20 0 GHADMP CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001192481932 870455584 /nfs/dbraw/zinc/45/55/84/870455584.db2.gz RQBPOOJSPSPQJJ-FXAWDEMLSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248564122 870495427 /nfs/dbraw/zinc/49/54/27/870495427.db2.gz KGHRGDQPOCUGKA-MDOVXXIYSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248564122 870495441 /nfs/dbraw/zinc/49/54/41/870495441.db2.gz KGHRGDQPOCUGKA-MDOVXXIYSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248594350 870522512 /nfs/dbraw/zinc/52/25/12/870522512.db2.gz SHLRWVJAVRUWAQ-LEDOBFOHSA-N 2 1 383.580 3.765 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248594350 870522522 /nfs/dbraw/zinc/52/25/22/870522522.db2.gz SHLRWVJAVRUWAQ-LEDOBFOHSA-N 2 1 383.580 3.765 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCS2 ZINC000248883029 870676154 /nfs/dbraw/zinc/67/61/54/870676154.db2.gz XIGVJYJKDDBMAO-SIKLNZKXSA-N 2 1 398.572 3.979 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000446888853 870685965 /nfs/dbraw/zinc/68/59/65/870685965.db2.gz OBDFPNSESPYOTO-HSZRJFAPSA-N 2 1 397.588 3.938 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1)CC(C)C ZINC000446889939 870688268 /nfs/dbraw/zinc/68/82/68/870688268.db2.gz DPKCKKKOYQAVAX-UHFFFAOYSA-N 2 1 392.632 3.650 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1)CC(C)C ZINC000540196748 870737456 /nfs/dbraw/zinc/73/74/56/870737456.db2.gz TTYXMNZKZKORJK-UHFFFAOYSA-N 2 1 377.548 3.522 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000249285551 870802173 /nfs/dbraw/zinc/80/21/73/870802173.db2.gz LNUKQUBRYPIDRM-QKLQHJQFSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000249285551 870802186 /nfs/dbraw/zinc/80/21/86/870802186.db2.gz LNUKQUBRYPIDRM-QKLQHJQFSA-N 2 1 395.975 3.702 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168837111 870896047 /nfs/dbraw/zinc/89/60/47/870896047.db2.gz ZVBARQNLAMYMGE-MAUKXSAKSA-N 2 1 393.959 3.988 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168837995 870896066 /nfs/dbraw/zinc/89/60/66/870896066.db2.gz FFJZWYVVXSMYCV-ZULIPRJHSA-N 2 1 388.556 3.551 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1(C)C ZINC001193208615 870942707 /nfs/dbraw/zinc/94/27/07/870942707.db2.gz CDQSXFANHXYVDO-YLJYHZDGSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1(C)C ZINC001193208615 870942911 /nfs/dbraw/zinc/94/29/11/870942911.db2.gz CDQSXFANHXYVDO-YLJYHZDGSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@@H]1C[C@H](NCC2([NH+]3CCSCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463147290 870976326 /nfs/dbraw/zinc/97/63/26/870976326.db2.gz UZHYYNQFSLPCDT-IFMALSPDSA-N 2 1 387.637 3.991 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463147290 870976354 /nfs/dbraw/zinc/97/63/54/870976354.db2.gz UZHYYNQFSLPCDT-IFMALSPDSA-N 2 1 387.637 3.991 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463147290 870976362 /nfs/dbraw/zinc/97/63/62/870976362.db2.gz UZHYYNQFSLPCDT-IFMALSPDSA-N 2 1 387.637 3.991 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001170438756 882463567 /nfs/dbraw/zinc/46/35/67/882463567.db2.gz USKHSXSWBZCPOC-REWPJTCUSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]2(C1)COCC[NH+](C(C)C)C2 ZINC001170438756 882463574 /nfs/dbraw/zinc/46/35/74/882463574.db2.gz USKHSXSWBZCPOC-REWPJTCUSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@]2(C1)COCC[N@@H+](C(C)C)C2 ZINC001170438756 882463582 /nfs/dbraw/zinc/46/35/82/882463582.db2.gz USKHSXSWBZCPOC-REWPJTCUSA-N 2 1 388.552 3.559 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001170438756 882463590 /nfs/dbraw/zinc/46/35/90/882463590.db2.gz USKHSXSWBZCPOC-REWPJTCUSA-N 2 1 388.552 3.559 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463138033 870989923 /nfs/dbraw/zinc/98/99/23/870989923.db2.gz NXXBSVYOFFHDJG-NQHRYMMQSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000463138033 870989935 /nfs/dbraw/zinc/98/99/35/870989935.db2.gz NXXBSVYOFFHDJG-NQHRYMMQSA-N 2 1 393.575 3.530 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038196 /nfs/dbraw/zinc/03/81/96/871038196.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 2 1 387.612 3.721 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038207 /nfs/dbraw/zinc/03/82/07/871038207.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 2 1 387.612 3.721 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038224 /nfs/dbraw/zinc/03/82/24/871038224.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 2 1 387.612 3.721 20 0 GHADMP CCCC[NH+](C)CC1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038245 /nfs/dbraw/zinc/03/82/45/871038245.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 2 1 387.612 3.721 20 0 GHADMP CCCC[NH+](C)CC1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429716722 871038270 /nfs/dbraw/zinc/03/82/70/871038270.db2.gz KOOPUCKRJUPOPO-DEOSSOPVSA-N 2 1 387.612 3.721 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2N2CCCCC2)c2cccs2)CC1 ZINC000920957117 882473135 /nfs/dbraw/zinc/47/31/35/882473135.db2.gz IJNIJHUMQPZSPY-QFIPXVFZSA-N 2 1 398.620 3.817 20 0 GHADMP CN(CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccc(F)cc1 ZINC000463190634 871092445 /nfs/dbraw/zinc/09/24/45/871092445.db2.gz JXAKZVVLYCVFOR-UHFFFAOYSA-N 2 1 387.518 3.693 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)[C@@H](C)C1 ZINC000766575371 871159262 /nfs/dbraw/zinc/15/92/62/871159262.db2.gz KDOFPTWHQSYDTR-YTQUADARSA-N 2 1 376.566 3.661 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169092233 871202334 /nfs/dbraw/zinc/20/23/34/871202334.db2.gz AIEWKVJIODSNHY-OWZKRDHZSA-N 2 1 381.486 3.885 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169092233 871202352 /nfs/dbraw/zinc/20/23/52/871202352.db2.gz AIEWKVJIODSNHY-OWZKRDHZSA-N 2 1 381.486 3.885 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169092233 871202367 /nfs/dbraw/zinc/20/23/67/871202367.db2.gz AIEWKVJIODSNHY-OWZKRDHZSA-N 2 1 381.486 3.885 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1 ZINC000539045724 871218389 /nfs/dbraw/zinc/21/83/89/871218389.db2.gz FLJGSVCRBZJKNS-JPYJTQIMSA-N 2 1 383.536 3.616 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1 ZINC000539045724 871218407 /nfs/dbraw/zinc/21/84/07/871218407.db2.gz FLJGSVCRBZJKNS-JPYJTQIMSA-N 2 1 383.536 3.616 20 0 GHADMP CC(C)C[N@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155198 871269525 /nfs/dbraw/zinc/26/95/25/871269525.db2.gz ZOLTVUCUVYEKTA-IYWMVGAKSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[N@@H+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169155198 871269537 /nfs/dbraw/zinc/26/95/37/871269537.db2.gz ZOLTVUCUVYEKTA-IYWMVGAKSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169155198 871269546 /nfs/dbraw/zinc/26/95/46/871269546.db2.gz ZOLTVUCUVYEKTA-IYWMVGAKSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)C[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169155198 871269558 /nfs/dbraw/zinc/26/95/58/871269558.db2.gz ZOLTVUCUVYEKTA-IYWMVGAKSA-N 2 1 379.589 3.969 20 0 GHADMP CCc1ccc([C@H]2CCC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001194116550 871485764 /nfs/dbraw/zinc/48/57/64/871485764.db2.gz RXPHUFUNLYMXHS-ZEQRLZLVSA-N 2 1 393.575 3.848 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC001169489254 871588430 /nfs/dbraw/zinc/58/84/30/871588430.db2.gz KXAFPKKAEZAYHK-INIZCTEOSA-N 2 1 399.501 3.906 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001194359024 871636127 /nfs/dbraw/zinc/63/61/27/871636127.db2.gz RPKKEZVQKILMMB-RTBURBONSA-N 2 1 379.589 3.828 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000618492361 871678927 /nfs/dbraw/zinc/67/89/27/871678927.db2.gz IZJUWRJJBVKEDJ-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCOc1ccccc1 ZINC001169666261 871734981 /nfs/dbraw/zinc/73/49/81/871734981.db2.gz IYGCLJMLYWRBAS-QHCPKHFHSA-N 2 1 382.548 3.972 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCCOc1ccccc1 ZINC001169666261 871734993 /nfs/dbraw/zinc/73/49/93/871734993.db2.gz IYGCLJMLYWRBAS-QHCPKHFHSA-N 2 1 382.548 3.972 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001169694899 871765306 /nfs/dbraw/zinc/76/53/06/871765306.db2.gz RXMFPUQCFNIHGM-JOCHJYFZSA-N 2 1 399.579 3.986 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000462186434 871792557 /nfs/dbraw/zinc/79/25/57/871792557.db2.gz GBTUMOQIHGQKTR-WMZHIEFXSA-N 2 1 377.532 3.533 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cscc2Br)CC1 ZINC000516602865 871803035 /nfs/dbraw/zinc/80/30/35/871803035.db2.gz CEKKCCCUHAHWKQ-UHFFFAOYSA-N 2 1 375.376 3.833 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1c1ccccc1 ZINC000447561241 871865973 /nfs/dbraw/zinc/86/59/73/871865973.db2.gz GZXUUHYJEZEJMO-RLBLXZPPSA-N 2 1 375.516 3.577 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1c1ccccc1 ZINC000447561241 871865986 /nfs/dbraw/zinc/86/59/86/871865986.db2.gz GZXUUHYJEZEJMO-RLBLXZPPSA-N 2 1 375.516 3.577 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783670 871876776 /nfs/dbraw/zinc/87/67/76/871876776.db2.gz JTQOQZQHQBJJPJ-ISKFKSNPSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783670 871876784 /nfs/dbraw/zinc/87/67/84/871876784.db2.gz JTQOQZQHQBJJPJ-ISKFKSNPSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783670 871876805 /nfs/dbraw/zinc/87/68/05/871876805.db2.gz JTQOQZQHQBJJPJ-ISKFKSNPSA-N 2 1 391.559 3.745 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001169830985 871897946 /nfs/dbraw/zinc/89/79/46/871897946.db2.gz OQJRXIDTUOTEMY-QHCPKHFHSA-N 2 1 391.559 3.770 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@@H]2CCC[C@@H]21 ZINC000552040792 871918917 /nfs/dbraw/zinc/91/89/17/871918917.db2.gz ZAYBBDNSMFIXSH-FKBYEOEOSA-N 2 1 381.520 3.502 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000552044046 871925059 /nfs/dbraw/zinc/92/50/59/871925059.db2.gz NHIKZQTWYCCHBN-QPXUXIHVSA-N 2 1 386.580 3.710 20 0 GHADMP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579896 871925756 /nfs/dbraw/zinc/92/57/56/871925756.db2.gz MHTPSRSJGQQTSM-JLLPCOHGSA-N 2 1 389.543 3.573 20 0 GHADMP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579896 871925773 /nfs/dbraw/zinc/92/57/73/871925773.db2.gz MHTPSRSJGQQTSM-JLLPCOHGSA-N 2 1 389.543 3.573 20 0 GHADMP C[NH+](C)CCOCC[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000447603708 871967000 /nfs/dbraw/zinc/96/70/00/871967000.db2.gz YPDBVTLTWUIGON-LJQANCHMSA-N 2 1 377.326 3.706 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]2C1 ZINC001169873673 871977106 /nfs/dbraw/zinc/97/71/06/871977106.db2.gz XBWIGNDNWPVHIG-SZPZYZBQSA-N 2 1 399.579 3.971 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000477909634 872117507 /nfs/dbraw/zinc/11/75/07/872117507.db2.gz DYQPTIJABJXSQA-DHJUGAMNSA-N 2 1 388.502 3.616 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1ccnn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000552283949 872344935 /nfs/dbraw/zinc/34/49/35/872344935.db2.gz NREQEGRBJBQQHC-SVFBPWRDSA-N 2 1 375.520 3.829 20 0 GHADMP c1nc2n(c1C[NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000552276748 872375846 /nfs/dbraw/zinc/37/58/46/872375846.db2.gz IRKVXVUOKYWEDX-WWNPGLIZSA-N 2 1 378.564 4.000 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000478048376 872420538 /nfs/dbraw/zinc/42/05/38/872420538.db2.gz VPYRTIPLJRUFNC-AUSIDOKSSA-N 2 1 383.580 3.983 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000619360603 872575451 /nfs/dbraw/zinc/57/54/51/872575451.db2.gz HXNOVFIQKGXWCJ-OALUTQOASA-N 2 1 394.629 3.722 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000552580739 872850519 /nfs/dbraw/zinc/85/05/19/872850519.db2.gz ASPVBXSXELOERI-QUCCMNQESA-N 2 1 383.536 3.758 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000552580739 872850532 /nfs/dbraw/zinc/85/05/32/872850532.db2.gz ASPVBXSXELOERI-QUCCMNQESA-N 2 1 383.536 3.758 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000552580740 872850845 /nfs/dbraw/zinc/85/08/45/872850845.db2.gz ASPVBXSXELOERI-UYAOXDASSA-N 2 1 383.536 3.758 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1 ZINC000552580740 872850854 /nfs/dbraw/zinc/85/08/54/872850854.db2.gz ASPVBXSXELOERI-UYAOXDASSA-N 2 1 383.536 3.758 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000527233030 872887079 /nfs/dbraw/zinc/88/70/79/872887079.db2.gz BDMDTSRPEYPYDG-XLIONFOSSA-N 2 1 395.572 3.990 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393047 873071194 /nfs/dbraw/zinc/07/11/94/873071194.db2.gz KOEMXZVDJMLMCE-OAQYLSRUSA-N 2 1 377.573 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393047 873071203 /nfs/dbraw/zinc/07/12/03/873071203.db2.gz KOEMXZVDJMLMCE-OAQYLSRUSA-N 2 1 377.573 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCOC(C)(C)C)C2)ccn1 ZINC001196393047 873071209 /nfs/dbraw/zinc/07/12/09/873071209.db2.gz KOEMXZVDJMLMCE-OAQYLSRUSA-N 2 1 377.573 3.970 20 0 GHADMP CC1(C)CC(N[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC(C)(C)N1O ZINC001169982438 873086478 /nfs/dbraw/zinc/08/64/78/873086478.db2.gz MIIQEVIANDUKTB-BBITVKMKSA-N 2 1 391.559 3.974 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000448260149 873137864 /nfs/dbraw/zinc/13/78/64/873137864.db2.gz JQDAXBFNKKNIDX-PCCBWWKXSA-N 2 1 395.551 3.531 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C[C@H](C)O1 ZINC000464067736 873144277 /nfs/dbraw/zinc/14/42/77/873144277.db2.gz PUEWRYJUEUHINY-RBBNJCGNSA-N 2 1 386.580 3.981 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768209622 873146002 /nfs/dbraw/zinc/14/60/02/873146002.db2.gz RTIGVUOTOYYBOP-OTWHNJEPSA-N 2 1 397.604 3.501 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001196623192 873263934 /nfs/dbraw/zinc/26/39/34/873263934.db2.gz OHBHZPIJTBPONU-QGZVFWFLSA-N 2 1 387.955 3.928 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501787 873341563 /nfs/dbraw/zinc/34/15/63/873341563.db2.gz WRENRCGKRFCHNM-REWPJTCUSA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501787 873341577 /nfs/dbraw/zinc/34/15/77/873341577.db2.gz WRENRCGKRFCHNM-REWPJTCUSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501787 873341595 /nfs/dbraw/zinc/34/15/95/873341595.db2.gz WRENRCGKRFCHNM-REWPJTCUSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501787 873341607 /nfs/dbraw/zinc/34/16/07/873341607.db2.gz WRENRCGKRFCHNM-REWPJTCUSA-N 2 1 390.531 3.989 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(F)ccc(F)c3Cl)cc2)CC1 ZINC000527655369 873449452 /nfs/dbraw/zinc/44/94/52/873449452.db2.gz CSSWGKUXMOQCPT-UHFFFAOYSA-N 2 1 380.866 3.865 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935050 873456790 /nfs/dbraw/zinc/45/67/90/873456790.db2.gz FLPCIPRKCOGRIO-QGZVFWFLSA-N 2 1 386.323 3.650 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935050 873456796 /nfs/dbraw/zinc/45/67/96/873456796.db2.gz FLPCIPRKCOGRIO-QGZVFWFLSA-N 2 1 386.323 3.650 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C)c(Br)s2)C1 ZINC000537646628 882749713 /nfs/dbraw/zinc/74/97/13/882749713.db2.gz FZLKDQWCCJSXJE-AWEZNQCLSA-N 2 1 375.376 3.752 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)c(Br)s2)C1 ZINC000537646628 882749716 /nfs/dbraw/zinc/74/97/16/882749716.db2.gz FZLKDQWCCJSXJE-AWEZNQCLSA-N 2 1 375.376 3.752 20 0 GHADMP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888802 873718864 /nfs/dbraw/zinc/71/88/64/873718864.db2.gz VPNVNZXSZYPEGO-GCJKJVERSA-N 2 1 390.531 3.505 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cccn1 ZINC000527940919 873784870 /nfs/dbraw/zinc/78/48/70/873784870.db2.gz WXBRVQPMPIEIAF-OKYOBFRVSA-N 2 1 378.442 3.772 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cccn1 ZINC000527940919 873784875 /nfs/dbraw/zinc/78/48/75/873784875.db2.gz WXBRVQPMPIEIAF-OKYOBFRVSA-N 2 1 378.442 3.772 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000769652292 874214345 /nfs/dbraw/zinc/21/43/45/874214345.db2.gz HLYDVEDDCAJHPT-UHFFFAOYSA-N 2 1 378.948 3.718 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000769652292 874214358 /nfs/dbraw/zinc/21/43/58/874214358.db2.gz HLYDVEDDCAJHPT-UHFFFAOYSA-N 2 1 378.948 3.718 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1)c1ccccc1 ZINC000448983613 874315046 /nfs/dbraw/zinc/31/50/46/874315046.db2.gz OISSOXXZUMRIAB-SFHVURJKSA-N 2 1 389.503 3.661 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000464777768 874473035 /nfs/dbraw/zinc/47/30/35/874473035.db2.gz PDQKWKJOVWDKCD-PMACEKPBSA-N 2 1 379.548 3.819 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449168681 874548376 /nfs/dbraw/zinc/54/83/76/874548376.db2.gz NAJMCMHPFKFYRM-UHIMYIODSA-N 2 1 386.580 3.729 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449168681 874548382 /nfs/dbraw/zinc/54/83/82/874548382.db2.gz NAJMCMHPFKFYRM-UHIMYIODSA-N 2 1 386.580 3.729 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528433304 874553060 /nfs/dbraw/zinc/55/30/60/874553060.db2.gz UKVNUIDBDDMJQC-JOCHJYFZSA-N 2 1 384.568 3.554 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)[C@@H](C)C1 ZINC000528455656 874582975 /nfs/dbraw/zinc/58/29/75/874582975.db2.gz JSKWQYBFRFYVNG-USGHRTRXSA-N 2 1 388.596 3.802 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846929 874627551 /nfs/dbraw/zinc/62/75/51/874627551.db2.gz KLJRUJRMOGAUIB-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846929 874627563 /nfs/dbraw/zinc/62/75/63/874627563.db2.gz KLJRUJRMOGAUIB-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846929 874627568 /nfs/dbraw/zinc/62/75/68/874627568.db2.gz KLJRUJRMOGAUIB-HXUWFJFHSA-N 2 1 383.511 3.917 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000449334526 874752133 /nfs/dbraw/zinc/75/21/33/874752133.db2.gz FBKFHUAOGXDWIA-NBGIEHNGSA-N 2 1 393.575 3.761 20 0 GHADMP CC1(C)C[N@@H+](Cc2cccc(C(N)=O)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449415432 874810063 /nfs/dbraw/zinc/81/00/63/874810063.db2.gz OZLHVMZEQGLMDP-HSZRJFAPSA-N 2 1 391.559 3.908 20 0 GHADMP COCCn1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000449411428 874834851 /nfs/dbraw/zinc/83/48/51/874834851.db2.gz BIQCCBQGXUKRID-QHCPKHFHSA-N 2 1 396.579 3.652 20 0 GHADMP COc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1SC ZINC001199190383 874844415 /nfs/dbraw/zinc/84/44/15/874844415.db2.gz WOJMIDOUFAPUIV-NRFANRHFSA-N 2 1 399.604 3.886 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1Cl ZINC000476685449 882870820 /nfs/dbraw/zinc/87/08/20/882870820.db2.gz ZWWXOYRKBPNODJ-HXUWFJFHSA-N 2 1 394.991 3.898 20 0 GHADMP Cc1nn2c(C[NH2+]Cc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)c(C)nc2s1 ZINC001199267454 874883773 /nfs/dbraw/zinc/88/37/73/874883773.db2.gz PXLVREBKPVFBKQ-OAHLLOKOSA-N 2 1 383.565 3.929 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](Cc3csc4ccccc34)C2)CC1 ZINC000449506402 874970481 /nfs/dbraw/zinc/97/04/81/874970481.db2.gz SGZIPXZYLFNPMB-LJQANCHMSA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3csc4ccccc34)C2)CC1 ZINC000449506402 874970489 /nfs/dbraw/zinc/97/04/89/874970489.db2.gz SGZIPXZYLFNPMB-LJQANCHMSA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3csc4ccccc34)C2)CC1 ZINC000449506402 874970494 /nfs/dbraw/zinc/97/04/94/874970494.db2.gz SGZIPXZYLFNPMB-LJQANCHMSA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507240 874971745 /nfs/dbraw/zinc/97/17/45/874971745.db2.gz SURIZDNGHYKXNS-UPVQGACJSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507240 874971751 /nfs/dbraw/zinc/97/17/51/874971751.db2.gz SURIZDNGHYKXNS-UPVQGACJSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507240 874971762 /nfs/dbraw/zinc/97/17/62/874971762.db2.gz SURIZDNGHYKXNS-UPVQGACJSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507240 874971767 /nfs/dbraw/zinc/97/17/67/874971767.db2.gz SURIZDNGHYKXNS-UPVQGACJSA-N 2 1 385.596 3.692 20 0 GHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000465161428 875194198 /nfs/dbraw/zinc/19/41/98/875194198.db2.gz CHQUQQHVBBNEPW-OAQYLSRUSA-N 2 1 386.584 3.814 20 0 GHADMP Cc1c(Br)cc(C[NH2+][C@H](C)CC[NH+](C)C)cc1Br ZINC001199906748 875219639 /nfs/dbraw/zinc/21/96/39/875219639.db2.gz OTZGTWXSFKCDRJ-SNVBAGLBSA-N 2 1 378.152 3.950 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000105442902 875297048 /nfs/dbraw/zinc/29/70/48/875297048.db2.gz HYPWKMWKAHVKRV-ZDUSSCGKSA-N 2 1 394.313 3.541 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2cccc(Cl)c2Cl)CC1 ZINC001201007030 875460112 /nfs/dbraw/zinc/46/01/12/875460112.db2.gz RWFZPXUVRNVSSI-UHFFFAOYSA-N 2 1 396.347 3.949 20 0 GHADMP C[NH+]1CCN(c2ccc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2)CC1 ZINC001201470017 875704348 /nfs/dbraw/zinc/70/43/48/875704348.db2.gz IYXOMDWBUNYXJW-YADHBBJMSA-N 2 1 389.547 3.566 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CCCc3ccccc3)O2)CC1 ZINC001201661801 875821476 /nfs/dbraw/zinc/82/14/76/875821476.db2.gz SGKIETBNPFJKJH-WXFUMESZSA-N 2 1 386.580 3.600 20 0 GHADMP Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2c1CCC2 ZINC000450057391 875874490 /nfs/dbraw/zinc/87/44/90/875874490.db2.gz DOWMSVVLWOBFMX-UHFFFAOYSA-N 2 1 397.607 3.752 20 0 GHADMP CC(C)=CCC[C@@H](C)CC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001201974651 875937503 /nfs/dbraw/zinc/93/75/03/875937503.db2.gz YPNWULIGBHWJLC-HXUWFJFHSA-N 2 1 386.584 3.817 20 0 GHADMP CC(C)=CCC[C@@H](C)CC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001201974651 875937509 /nfs/dbraw/zinc/93/75/09/875937509.db2.gz YPNWULIGBHWJLC-HXUWFJFHSA-N 2 1 386.584 3.817 20 0 GHADMP c1ccc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](CC2CCCC2)C3)nc1 ZINC001202138093 876018001 /nfs/dbraw/zinc/01/80/01/876018001.db2.gz DRFQHAXVWVUZSE-UPVQGACJSA-N 2 1 383.580 3.822 20 0 GHADMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](CC2CCCC2)C3)nc1 ZINC001202138093 876018012 /nfs/dbraw/zinc/01/80/12/876018012.db2.gz DRFQHAXVWVUZSE-UPVQGACJSA-N 2 1 383.580 3.822 20 0 GHADMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](CC2CCCC2)C3)nc1 ZINC001202138093 876018018 /nfs/dbraw/zinc/01/80/18/876018018.db2.gz DRFQHAXVWVUZSE-UPVQGACJSA-N 2 1 383.580 3.822 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000529471085 876174747 /nfs/dbraw/zinc/17/47/47/876174747.db2.gz ZOLIHBHPVSNAPN-NFBKMPQASA-N 2 1 383.580 3.668 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](CCCC(F)(F)F)CC2 ZINC001202405283 876177681 /nfs/dbraw/zinc/17/76/81/876177681.db2.gz PZEZEDRCUAETHF-SFHVURJKSA-N 2 1 392.506 3.558 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC(F)(F)C1 ZINC000529585383 876359910 /nfs/dbraw/zinc/35/99/10/876359910.db2.gz GFKCJAYQDXFOEW-PXNSSMCTSA-N 2 1 378.507 3.939 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4ccccc4c3)c2)C1 ZINC000108420847 876466782 /nfs/dbraw/zinc/46/67/82/876466782.db2.gz NCYLVCQNGBZQIF-DEOSSOPVSA-N 2 1 387.527 3.827 20 0 GHADMP Brc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000192921857 883046743 /nfs/dbraw/zinc/04/67/43/883046743.db2.gz ODRHUHDLGUGXOG-KRWDZBQOSA-N 2 1 399.336 3.709 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000450563629 876620219 /nfs/dbraw/zinc/62/02/19/876620219.db2.gz OHTQBDYAXIDZBW-RJGXRXQPSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)C1 ZINC000450563629 876620223 /nfs/dbraw/zinc/62/02/23/876620223.db2.gz OHTQBDYAXIDZBW-RJGXRXQPSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C(C)C)[C@@H](C)C1 ZINC000450563629 876620232 /nfs/dbraw/zinc/62/02/32/876620232.db2.gz OHTQBDYAXIDZBW-RJGXRXQPSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)c1nnc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000492354414 876672020 /nfs/dbraw/zinc/67/20/20/876672020.db2.gz FGMDNYQGVOVYMA-UHFFFAOYSA-N 2 1 376.545 3.640 20 0 GHADMP Cn1ncc(C(F)(F)F)c1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000850218081 876733901 /nfs/dbraw/zinc/73/39/01/876733901.db2.gz WUGJHSCWOFOYDF-UHFFFAOYSA-N 2 1 395.473 3.829 20 0 GHADMP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948159 876737955 /nfs/dbraw/zinc/73/79/55/876737955.db2.gz KDCSXPKWVCFJFY-QGZVFWFLSA-N 2 1 393.959 3.552 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174148782 876860050 /nfs/dbraw/zinc/86/00/50/876860050.db2.gz SYVDSNMMSKKMHD-NHCUHLMSSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786780066 876933746 /nfs/dbraw/zinc/93/37/46/876933746.db2.gz KTTKJANMIMWZHW-SFHVURJKSA-N 2 1 378.520 3.531 20 0 GHADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174341670 876974288 /nfs/dbraw/zinc/97/42/88/876974288.db2.gz UGXAYHFYWVEJAR-LEWJYISDSA-N 2 1 389.609 3.505 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000193079531 883088147 /nfs/dbraw/zinc/08/81/47/883088147.db2.gz DZSQFRKRULEIQV-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC1 ZINC000850576867 877048007 /nfs/dbraw/zinc/04/80/07/877048007.db2.gz QHGHSPFODGGBCH-PGRDOPGGSA-N 2 1 384.568 3.739 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000551029737 883096231 /nfs/dbraw/zinc/09/62/31/883096231.db2.gz QKQGJXWTFJTHTR-NHCICSSKSA-N 2 1 379.548 3.947 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000551029737 883096247 /nfs/dbraw/zinc/09/62/47/883096247.db2.gz QKQGJXWTFJTHTR-NHCICSSKSA-N 2 1 379.548 3.947 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000174865731 877297588 /nfs/dbraw/zinc/29/75/88/877297588.db2.gz GXKCQXYCTZFUBH-LJQANCHMSA-N 2 1 397.485 3.516 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(O)CCC(c3ccccc3)CC2)cn1 ZINC000530230471 877318182 /nfs/dbraw/zinc/31/81/82/877318182.db2.gz GXWYSBXCHSCUKX-UHFFFAOYSA-N 2 1 376.504 3.754 20 0 GHADMP Clc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000530248560 877332619 /nfs/dbraw/zinc/33/26/19/877332619.db2.gz MMXAVDCHJKUQNJ-OAHLLOKOSA-N 2 1 387.749 3.693 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000477268027 877339912 /nfs/dbraw/zinc/33/99/12/877339912.db2.gz VLMSXFQBVZRYPC-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000136748936 877362914 /nfs/dbraw/zinc/36/29/14/877362914.db2.gz FTWWVTJGRBDMNO-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000136748936 877362933 /nfs/dbraw/zinc/36/29/33/877362933.db2.gz FTWWVTJGRBDMNO-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000136748936 877362948 /nfs/dbraw/zinc/36/29/48/877362948.db2.gz FTWWVTJGRBDMNO-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000477353324 877474495 /nfs/dbraw/zinc/47/44/95/877474495.db2.gz NGSRNRPHKLCPSY-NJDAHSKKSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699034 877665219 /nfs/dbraw/zinc/66/52/19/877665219.db2.gz JMGXHMRUOPUCEO-DVKRWUGUSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699034 877665223 /nfs/dbraw/zinc/66/52/23/877665223.db2.gz JMGXHMRUOPUCEO-DVKRWUGUSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699034 877665229 /nfs/dbraw/zinc/66/52/29/877665229.db2.gz JMGXHMRUOPUCEO-DVKRWUGUSA-N 2 1 385.596 3.615 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1Cl ZINC000175539413 877758804 /nfs/dbraw/zinc/75/88/04/877758804.db2.gz VKFHMTGYPWTOMT-FQEVSTJZSA-N 2 1 392.975 3.649 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000551778894 877794852 /nfs/dbraw/zinc/79/48/52/877794852.db2.gz JJRNXRUKUCYEPP-OALUTQOASA-N 2 1 383.502 3.957 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245422190 877850690 /nfs/dbraw/zinc/85/06/90/877850690.db2.gz INIABKTWSAEKNP-JXALWOEJSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245422190 877850695 /nfs/dbraw/zinc/85/06/95/877850695.db2.gz INIABKTWSAEKNP-JXALWOEJSA-N 2 1 391.559 3.849 20 0 GHADMP C[N@@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000530494706 877906169 /nfs/dbraw/zinc/90/61/69/877906169.db2.gz IVTZKOIPUNFUTG-ZLNRFVROSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)CC1 ZINC000530494706 877906175 /nfs/dbraw/zinc/90/61/75/877906175.db2.gz IVTZKOIPUNFUTG-ZLNRFVROSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)CC1 ZINC000530494706 877906179 /nfs/dbraw/zinc/90/61/79/877906179.db2.gz IVTZKOIPUNFUTG-ZLNRFVROSA-N 2 1 380.617 3.655 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713519 912295468 /nfs/dbraw/zinc/29/54/68/912295468.db2.gz ZAHZXMLGXMXRLU-INIZCTEOSA-N 2 1 379.495 3.880 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000615656970 877983096 /nfs/dbraw/zinc/98/30/96/877983096.db2.gz YPXRJANNUANVCN-UHFFFAOYSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000530513259 877985900 /nfs/dbraw/zinc/98/59/00/877985900.db2.gz XWMZFOKLSGBPMK-QGZVFWFLSA-N 2 1 375.476 3.540 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)oc1C ZINC000530545567 878030461 /nfs/dbraw/zinc/03/04/61/878030461.db2.gz IQNJZGNECDWVJQ-NJDAHSKKSA-N 2 1 375.557 3.688 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528001 878057861 /nfs/dbraw/zinc/05/78/61/878057861.db2.gz DZCNSRLHEFNBFM-SIKLNZKXSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528001 878057882 /nfs/dbraw/zinc/05/78/82/878057882.db2.gz DZCNSRLHEFNBFM-SIKLNZKXSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528001 878057901 /nfs/dbraw/zinc/05/79/01/878057901.db2.gz DZCNSRLHEFNBFM-SIKLNZKXSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528001 878057919 /nfs/dbraw/zinc/05/79/19/878057919.db2.gz DZCNSRLHEFNBFM-SIKLNZKXSA-N 2 1 375.532 3.543 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000530576572 878061468 /nfs/dbraw/zinc/06/14/68/878061468.db2.gz LDHFYWYZEZNVRZ-CRAIPNDOSA-N 2 1 385.474 3.546 20 0 GHADMP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000245543154 878079407 /nfs/dbraw/zinc/07/94/07/878079407.db2.gz SESQYASLSZBVAQ-AQNXPRMDSA-N 2 1 386.584 3.513 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cnc2cc(F)c(F)cc21 ZINC000179916750 878213097 /nfs/dbraw/zinc/21/30/97/878213097.db2.gz TZGFKCNXEYTCNC-UHFFFAOYSA-N 2 1 385.462 3.906 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000237921540 878302509 /nfs/dbraw/zinc/30/25/09/878302509.db2.gz JUDOMMSVPTVLHI-HXUWFJFHSA-N 2 1 375.516 3.670 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncccc1C(F)(F)F ZINC000530712519 878325485 /nfs/dbraw/zinc/32/54/85/878325485.db2.gz BLWHVZDPZMYSIN-UHFFFAOYSA-N 2 1 384.490 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000788802063 878329740 /nfs/dbraw/zinc/32/97/40/878329740.db2.gz NTAUXKWMJLDMRX-LJQANCHMSA-N 2 1 377.573 3.773 20 0 GHADMP CC[NH+](CC)Cc1ccc(Br)cc1NCC1([NH+]2CCCC2)COC1 ZINC001168447445 878342844 /nfs/dbraw/zinc/34/28/44/878342844.db2.gz GUVMUSJLZLIZAP-UHFFFAOYSA-N 2 1 396.373 3.568 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cccc(Cl)c1 ZINC000537846966 878387063 /nfs/dbraw/zinc/38/70/63/878387063.db2.gz PNJUTJICKWOAAR-UHFFFAOYSA-N 2 1 386.927 3.912 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1)CC1CC1 ZINC000537848530 878388616 /nfs/dbraw/zinc/38/86/16/878388616.db2.gz GXCUQLNDUBCAKD-FQEVSTJZSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000537953423 878578626 /nfs/dbraw/zinc/57/86/26/878578626.db2.gz SPJRUDXYLACACV-VQIMIIECSA-N 2 1 393.453 3.979 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000245804781 878612479 /nfs/dbraw/zinc/61/24/79/878612479.db2.gz YJRXLCGYNFZRAY-DZGCQCFKSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000245804781 878612485 /nfs/dbraw/zinc/61/24/85/878612485.db2.gz YJRXLCGYNFZRAY-DZGCQCFKSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000245804781 878612492 /nfs/dbraw/zinc/61/24/92/878612492.db2.gz YJRXLCGYNFZRAY-DZGCQCFKSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000245804781 878612497 /nfs/dbraw/zinc/61/24/97/878612497.db2.gz YJRXLCGYNFZRAY-DZGCQCFKSA-N 2 1 385.346 3.771 20 0 GHADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000138563803 878635227 /nfs/dbraw/zinc/63/52/27/878635227.db2.gz SBVLMJJXCQIMPL-HHXXYDBFSA-N 2 1 380.458 3.963 20 0 GHADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000138563803 878635235 /nfs/dbraw/zinc/63/52/35/878635235.db2.gz SBVLMJJXCQIMPL-HHXXYDBFSA-N 2 1 380.458 3.963 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000530867175 878666832 /nfs/dbraw/zinc/66/68/32/878666832.db2.gz YFVXRVVFNMXXTC-IBGZPJMESA-N 2 1 377.529 3.882 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000530867175 878666836 /nfs/dbraw/zinc/66/68/36/878666836.db2.gz YFVXRVVFNMXXTC-IBGZPJMESA-N 2 1 377.529 3.882 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1F ZINC000245875244 878681817 /nfs/dbraw/zinc/68/18/17/878681817.db2.gz ALMJDFFWQOBMPL-DENIHFKCSA-N 2 1 383.511 3.764 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177399947 878693338 /nfs/dbraw/zinc/69/33/38/878693338.db2.gz XHCWKMSKCHTWJL-IBGZPJMESA-N 2 1 378.605 3.737 20 0 GHADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1c1cccc(C(F)(F)F)c1 ZINC000538018356 878721667 /nfs/dbraw/zinc/72/16/67/878721667.db2.gz RKFSACYRFRHGSC-QGZVFWFLSA-N 2 1 395.469 3.807 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000530905473 878721947 /nfs/dbraw/zinc/72/19/47/878721947.db2.gz SBFRUJXDUWBOJA-HXUWFJFHSA-N 2 1 379.548 3.962 20 0 GHADMP CC1(C)C[N@@H+](C[C@H](O)c2ccccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000853063695 878783124 /nfs/dbraw/zinc/78/31/24/878783124.db2.gz FDIBHTYBEKVFNG-GOTSBHOMSA-N 2 1 379.548 3.738 20 0 GHADMP OC1CC[NH+](CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000238159240 878822191 /nfs/dbraw/zinc/82/21/91/878822191.db2.gz BWYUFWTYGNZDIU-UHFFFAOYSA-N 2 1 396.560 3.537 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc(F)ccc1F ZINC000853120233 878827178 /nfs/dbraw/zinc/82/71/78/878827178.db2.gz HYWHULMRCOQYNT-PGRDOPGGSA-N 2 1 386.486 3.890 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000246139903 879043634 /nfs/dbraw/zinc/04/36/34/879043634.db2.gz JLBZDAVYVHZHEG-ILWGZMRPSA-N 2 1 386.584 3.584 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312276577 879321819 /nfs/dbraw/zinc/32/18/19/879321819.db2.gz JDRLFDQWNGIGTK-PGRDOPGGSA-N 2 1 386.561 3.653 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312276577 879321834 /nfs/dbraw/zinc/32/18/34/879321834.db2.gz JDRLFDQWNGIGTK-PGRDOPGGSA-N 2 1 386.561 3.653 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])c3cccc(Cl)c3)cc2)C1 ZINC000649345847 879484448 /nfs/dbraw/zinc/48/44/48/879484448.db2.gz PLANYBVNSKVVKJ-YWZLYKJASA-N 2 1 387.911 3.699 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246382792 879491492 /nfs/dbraw/zinc/49/14/92/879491492.db2.gz IKPGEWSNGHUUGG-WWNPGLIZSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246382792 879491494 /nfs/dbraw/zinc/49/14/94/879491494.db2.gz IKPGEWSNGHUUGG-WWNPGLIZSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246382792 879491500 /nfs/dbraw/zinc/49/15/00/879491500.db2.gz IKPGEWSNGHUUGG-WWNPGLIZSA-N 2 1 381.564 3.516 20 0 GHADMP CC[C@H]([NH2+]C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000854146766 879580603 /nfs/dbraw/zinc/58/06/03/879580603.db2.gz FRYVOOASSXTKQN-NRFANRHFSA-N 2 1 392.503 3.906 20 0 GHADMP CCOC(=O)[C@@H](CC(C)C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000181000073 879590620 /nfs/dbraw/zinc/59/06/20/879590620.db2.gz YZBAJOPIQHUVJQ-OAQYLSRUSA-N 2 1 375.557 3.854 20 0 GHADMP CC(C)[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542718 879666626 /nfs/dbraw/zinc/66/66/26/879666626.db2.gz JYUVUPXAZZOEJI-ZEYPLWLESA-N 2 1 387.543 3.588 20 0 GHADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379251 912494718 /nfs/dbraw/zinc/49/47/18/912494718.db2.gz KYNAEPJRXNZPJZ-ICSRJNTNSA-N 2 1 387.568 3.720 20 0 GHADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379251 912494725 /nfs/dbraw/zinc/49/47/25/912494725.db2.gz KYNAEPJRXNZPJZ-ICSRJNTNSA-N 2 1 387.568 3.720 20 0 GHADMP C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494000022 879804239 /nfs/dbraw/zinc/80/42/39/879804239.db2.gz NWZWAQMBZONCLL-CVDCTZTESA-N 2 1 377.532 3.675 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247013004 879882885 /nfs/dbraw/zinc/88/28/85/879882885.db2.gz XNQAWFCFEKKWGG-REWPJTCUSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247013004 879882902 /nfs/dbraw/zinc/88/29/02/879882902.db2.gz XNQAWFCFEKKWGG-REWPJTCUSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247013004 879882917 /nfs/dbraw/zinc/88/29/17/879882917.db2.gz XNQAWFCFEKKWGG-REWPJTCUSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247013004 879882931 /nfs/dbraw/zinc/88/29/31/879882931.db2.gz XNQAWFCFEKKWGG-REWPJTCUSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000247020062 879888297 /nfs/dbraw/zinc/88/82/97/879888297.db2.gz XXEPGTRXPPBRKI-KXBFYZLASA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000247020062 879888309 /nfs/dbraw/zinc/88/83/09/879888309.db2.gz XXEPGTRXPPBRKI-KXBFYZLASA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000247020062 879888322 /nfs/dbraw/zinc/88/83/22/879888322.db2.gz XXEPGTRXPPBRKI-KXBFYZLASA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000247020062 879888337 /nfs/dbraw/zinc/88/83/37/879888337.db2.gz XXEPGTRXPPBRKI-KXBFYZLASA-N 2 1 395.469 3.983 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000285937698 912508259 /nfs/dbraw/zinc/50/82/59/912508259.db2.gz FPAYQSGUOPLNSV-BRIRTLKKSA-N 2 1 391.515 3.864 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CN[C@@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000247060533 879904137 /nfs/dbraw/zinc/90/41/37/879904137.db2.gz PCGCPDWWSIKTAU-WMZHIEFXSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000247060533 879904147 /nfs/dbraw/zinc/90/41/47/879904147.db2.gz PCGCPDWWSIKTAU-WMZHIEFXSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000247060533 879904161 /nfs/dbraw/zinc/90/41/61/879904161.db2.gz PCGCPDWWSIKTAU-WMZHIEFXSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285940603 912509664 /nfs/dbraw/zinc/50/96/64/912509664.db2.gz DKUIQIJZQRONJD-SQGPQFPESA-N 2 1 379.504 3.579 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247152904 879931870 /nfs/dbraw/zinc/93/18/70/879931870.db2.gz XFUDNRIIXRVLSA-IEBWSBKVSA-N 2 1 379.976 3.787 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000247207912 879942409 /nfs/dbraw/zinc/94/24/09/879942409.db2.gz WTTIHJHVHRSXBA-DNVFCKCGSA-N 2 1 379.548 3.743 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)cc1 ZINC000247207912 879942410 /nfs/dbraw/zinc/94/24/10/879942410.db2.gz WTTIHJHVHRSXBA-DNVFCKCGSA-N 2 1 379.548 3.743 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357578 879979848 /nfs/dbraw/zinc/97/98/48/879979848.db2.gz YMQMSIYPCDRRHF-JRSMBCBASA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc2ccccc2c1 ZINC000247357578 879979862 /nfs/dbraw/zinc/97/98/62/879979862.db2.gz YMQMSIYPCDRRHF-JRSMBCBASA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc2ccccc2c1 ZINC000247357578 879979883 /nfs/dbraw/zinc/97/98/83/879979883.db2.gz YMQMSIYPCDRRHF-JRSMBCBASA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357578 879979899 /nfs/dbraw/zinc/97/98/99/879979899.db2.gz YMQMSIYPCDRRHF-JRSMBCBASA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000247357578 879979916 /nfs/dbraw/zinc/97/99/16/879979916.db2.gz YMQMSIYPCDRRHF-JRSMBCBASA-N 2 1 379.548 3.822 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000247578811 880029701 /nfs/dbraw/zinc/02/97/01/880029701.db2.gz YCLGSPMBFQZZSO-VAMGGRTRSA-N 2 1 380.621 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000123190376 880036473 /nfs/dbraw/zinc/03/64/73/880036473.db2.gz ZTUARBTWYKBEQP-KRWDZBQOSA-N 2 1 383.540 3.615 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCSc1ccnc2cc(Cl)ccc21 ZINC000182965370 880045177 /nfs/dbraw/zinc/04/51/77/880045177.db2.gz UAMCQEJDDIKULJ-UHFFFAOYSA-N 2 1 393.000 3.550 20 0 GHADMP Cc1cnc2c(N(CC[NH3+])c3ccc4[nH]c(C)[nH+]c4c3)nc3ccc(C)cc3n12 ZINC001170148406 880196195 /nfs/dbraw/zinc/19/61/95/880196195.db2.gz FSVNLXGTDSGQBO-UHFFFAOYSA-N 2 1 385.475 3.781 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453056393 880405804 /nfs/dbraw/zinc/40/58/04/880405804.db2.gz BWMUJNCKRUNWFM-PLACYPQZSA-N 2 1 395.513 3.903 20 0 GHADMP CC(C)[NH+](CCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000509482006 880441548 /nfs/dbraw/zinc/44/15/48/880441548.db2.gz XUHLSWJPFHDVKD-FQEVSTJZSA-N 2 1 399.501 3.676 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453084292 880441704 /nfs/dbraw/zinc/44/17/04/880441704.db2.gz DJHQSDMMSAKAPG-VXNXHJTFSA-N 3 1 385.596 3.520 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCC3([NH+]4CCCC4)CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453094934 880460532 /nfs/dbraw/zinc/46/05/32/880460532.db2.gz GOWBUIWXSOCMPP-TZRRMPRUSA-N 2 1 397.607 3.664 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ncc(-c3ccccc3)n2C)[C@@H](C)C1 ZINC000453109290 880477653 /nfs/dbraw/zinc/47/76/53/880477653.db2.gz AGMYBKURYJCBKS-ZVDOUQERSA-N 2 1 384.568 3.875 20 0 GHADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(I)c2)CC1 ZINC000453156290 880552098 /nfs/dbraw/zinc/55/20/98/880552098.db2.gz WSISXSBSWCSIQD-LBPRGKRZSA-N 2 1 390.284 3.954 20 0 GHADMP CSC1(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000453259562 880692938 /nfs/dbraw/zinc/69/29/38/880692938.db2.gz UTIHRLNIWUJAOC-QGZVFWFLSA-N 2 1 378.973 3.580 20 0 GHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH+](C)CC1 ZINC000453263538 880697163 /nfs/dbraw/zinc/69/71/63/880697163.db2.gz YZDZJUWLGNUJAG-VSKRKVRLSA-N 3 1 387.637 3.847 20 0 GHADMP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH+](C)CC1 ZINC000453263538 880697168 /nfs/dbraw/zinc/69/71/68/880697168.db2.gz YZDZJUWLGNUJAG-VSKRKVRLSA-N 2 1 387.637 3.847 20 0 GHADMP COc1nccc(C[NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)n1 ZINC000453266710 880701376 /nfs/dbraw/zinc/70/13/76/880701376.db2.gz ZVYWSUFXTRNHIU-OAQYLSRUSA-N 2 1 386.515 3.967 20 0 GHADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000453342137 880815240 /nfs/dbraw/zinc/81/52/40/880815240.db2.gz CRNCYGBJZQCPGN-YFNKSVMNSA-N 2 1 386.580 3.803 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000792286316 881013982 /nfs/dbraw/zinc/01/39/82/881013982.db2.gz OXRKATMWYXTZEX-WMZHIEFXSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000119935804 881178823 /nfs/dbraw/zinc/17/88/23/881178823.db2.gz MVYDKAVNYBFEGX-UHFFFAOYSA-N 2 1 397.567 3.655 20 0 GHADMP CCC(CC)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000499139752 881257747 /nfs/dbraw/zinc/25/77/47/881257747.db2.gz DDZXSWIBGGUIOM-ZKGSSEMHSA-N 2 1 399.623 3.909 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000120072295 881312019 /nfs/dbraw/zinc/31/20/19/881312019.db2.gz LSTNFHZKTPMDQS-IBGZPJMESA-N 2 1 397.567 3.655 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000120072295 881312053 /nfs/dbraw/zinc/31/20/53/881312053.db2.gz LSTNFHZKTPMDQS-IBGZPJMESA-N 2 1 397.567 3.655 20 0 GHADMP Cc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1Cl ZINC001211910468 883303885 /nfs/dbraw/zinc/30/38/85/883303885.db2.gz DLVXAULVFPOKLG-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1Cl ZINC001211910468 883303895 /nfs/dbraw/zinc/30/38/95/883303895.db2.gz DLVXAULVFPOKLG-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000135393877 883332556 /nfs/dbraw/zinc/33/25/56/883332556.db2.gz VJPVWOHJXSYKML-FOIQADDNSA-N 2 1 397.485 3.689 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000551175046 883386684 /nfs/dbraw/zinc/38/66/84/883386684.db2.gz FRWUIOHVRFMQMW-RTBURBONSA-N 2 1 393.453 3.990 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000551175046 883386697 /nfs/dbraw/zinc/38/66/97/883386697.db2.gz FRWUIOHVRFMQMW-RTBURBONSA-N 2 1 393.453 3.990 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000551175044 883387323 /nfs/dbraw/zinc/38/73/23/883387323.db2.gz FRWUIOHVRFMQMW-OALUTQOASA-N 2 1 393.453 3.990 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000551175044 883387340 /nfs/dbraw/zinc/38/73/40/883387340.db2.gz FRWUIOHVRFMQMW-OALUTQOASA-N 2 1 393.453 3.990 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000537696422 883398489 /nfs/dbraw/zinc/39/84/89/883398489.db2.gz GIIXEGKZXYCKDX-YPAWHYETSA-N 2 1 396.579 3.853 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000537696422 883398506 /nfs/dbraw/zinc/39/85/06/883398506.db2.gz GIIXEGKZXYCKDX-YPAWHYETSA-N 2 1 396.579 3.853 20 0 GHADMP Fc1ccccc1-c1noc([C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)n1 ZINC001212261415 883430575 /nfs/dbraw/zinc/43/05/75/883430575.db2.gz ZTBHLJFDYYIUOO-WZONZLPQSA-N 2 1 392.478 3.629 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000859106314 883591078 /nfs/dbraw/zinc/59/10/78/883591078.db2.gz JZQBTSRAQQLCSP-LJQANCHMSA-N 2 1 379.589 3.687 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141627 883614740 /nfs/dbraw/zinc/61/47/40/883614740.db2.gz JRUUKTLHRVQXNZ-RTBURBONSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141627 883614744 /nfs/dbraw/zinc/61/47/44/883614744.db2.gz JRUUKTLHRVQXNZ-RTBURBONSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141627 883614748 /nfs/dbraw/zinc/61/47/48/883614748.db2.gz JRUUKTLHRVQXNZ-RTBURBONSA-N 2 1 379.589 3.830 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000537698877 883629990 /nfs/dbraw/zinc/62/99/90/883629990.db2.gz ZYPAHOZEAWLPPQ-NJDAHSKKSA-N 2 1 388.943 3.518 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000537698877 883629998 /nfs/dbraw/zinc/62/99/98/883629998.db2.gz ZYPAHOZEAWLPPQ-NJDAHSKKSA-N 2 1 388.943 3.518 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182699185 883816668 /nfs/dbraw/zinc/81/66/68/883816668.db2.gz JGKUKJCJLHJVDI-FPOVZHCZSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455859115 884022609 /nfs/dbraw/zinc/02/26/09/884022609.db2.gz POBFUPPJGNGFRA-ZQMYSKGWSA-N 2 1 392.547 3.878 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000465448281 884052276 /nfs/dbraw/zinc/05/22/76/884052276.db2.gz SEFOIGDKCAWTAB-HXUWFJFHSA-N 2 1 378.605 3.691 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000487540896 884276102 /nfs/dbraw/zinc/27/61/02/884276102.db2.gz PGGOQDSZKDPPDW-DENIHFKCSA-N 2 1 386.584 3.585 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(C)=O ZINC000192930142 884314028 /nfs/dbraw/zinc/31/40/28/884314028.db2.gz ZIRLWKHFSJIMKW-FXAWDEMLSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001168177735 884416168 /nfs/dbraw/zinc/41/61/68/884416168.db2.gz RVSBYQWUDQCLSP-QGZVFWFLSA-N 2 1 391.987 3.536 20 0 GHADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccccc1 ZINC000495045947 884448216 /nfs/dbraw/zinc/44/82/16/884448216.db2.gz NDMHEJCEDBOIFP-XVAXZDLZSA-N 2 1 386.540 3.703 20 0 GHADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccccc1 ZINC000495045947 884448221 /nfs/dbraw/zinc/44/82/21/884448221.db2.gz NDMHEJCEDBOIFP-XVAXZDLZSA-N 2 1 386.540 3.703 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898101840 884607782 /nfs/dbraw/zinc/60/77/82/884607782.db2.gz ZRHZTKQSJSVXSG-CWJKEVGVSA-N 2 1 387.568 3.790 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)c2)CCO1 ZINC000237784825 885262409 /nfs/dbraw/zinc/26/24/09/885262409.db2.gz RODPLKBCBSDNHY-SFHVURJKSA-N 2 1 380.532 3.911 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)c2)CCO1 ZINC000237784825 885262433 /nfs/dbraw/zinc/26/24/33/885262433.db2.gz RODPLKBCBSDNHY-SFHVURJKSA-N 2 1 380.532 3.911 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001168193683 885290568 /nfs/dbraw/zinc/29/05/68/885290568.db2.gz QNJNSWQANOYCPN-SJLPKXTDSA-N 2 1 378.944 3.620 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001168193683 885290602 /nfs/dbraw/zinc/29/06/02/885290602.db2.gz QNJNSWQANOYCPN-SJLPKXTDSA-N 2 1 378.944 3.620 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)C1 ZINC000045786451 885318310 /nfs/dbraw/zinc/31/83/10/885318310.db2.gz PJZBRPHNSHZQBA-FQEVSTJZSA-N 2 1 398.595 3.688 20 0 GHADMP Cc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000130910273 885342876 /nfs/dbraw/zinc/34/28/76/885342876.db2.gz VQIHJSGZSMZRDC-UHFFFAOYSA-N 2 1 397.538 3.594 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107831432 885496419 /nfs/dbraw/zinc/49/64/19/885496419.db2.gz BPAYXDRAQGXHNO-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303618067 885649431 /nfs/dbraw/zinc/64/94/31/885649431.db2.gz WMNZTWQMHOUBEY-BWKNWUBXSA-N 2 1 395.591 3.978 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000303620567 885652589 /nfs/dbraw/zinc/65/25/89/885652589.db2.gz CZOYTXDDZDQMRI-KRWDZBQOSA-N 2 1 392.563 3.587 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000108363847 885665576 /nfs/dbraw/zinc/66/55/76/885665576.db2.gz YJFVSPSKCMZPMO-IYBDPMFKSA-N 2 1 375.538 3.724 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000108363847 885665587 /nfs/dbraw/zinc/66/55/87/885665587.db2.gz YJFVSPSKCMZPMO-IYBDPMFKSA-N 2 1 375.538 3.724 20 0 GHADMP COc1cccc(N2C[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2=O)c1 ZINC000532488521 885822704 /nfs/dbraw/zinc/82/27/04/885822704.db2.gz HBPQBDRBZBKGTI-APWZRJJASA-N 2 1 390.487 3.645 20 0 GHADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000550714743 886012007 /nfs/dbraw/zinc/01/20/07/886012007.db2.gz DPXIWOBBOZIVRS-UHFFFAOYSA-N 2 1 394.478 3.862 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498912857 886104326 /nfs/dbraw/zinc/10/43/26/886104326.db2.gz VVIPFTGNUWOUEK-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000131556750 886255136 /nfs/dbraw/zinc/25/51/36/886255136.db2.gz VYWRIJNAJKBUJY-KGLIPLIRSA-N 2 1 385.321 3.740 20 0 GHADMP Cc1ccc2oc(=O)n(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)c2c1 ZINC000762501400 886298551 /nfs/dbraw/zinc/29/85/51/886298551.db2.gz HDLZDWVUBMUMBP-UHFFFAOYSA-N 2 1 391.515 3.849 20 0 GHADMP Cc1ccc2oc(=O)n(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)c2c1 ZINC000762501400 886298568 /nfs/dbraw/zinc/29/85/68/886298568.db2.gz HDLZDWVUBMUMBP-UHFFFAOYSA-N 2 1 391.515 3.849 20 0 GHADMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000155084694 886324104 /nfs/dbraw/zinc/32/41/04/886324104.db2.gz MJZYTPYTXXUUKD-QFIPXVFZSA-N 2 1 390.930 3.983 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CC1 ZINC001168321687 886409621 /nfs/dbraw/zinc/40/96/21/886409621.db2.gz KIVZLKWSPDOTME-UHFFFAOYSA-N 2 1 375.582 3.549 20 0 GHADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536511790 886606641 /nfs/dbraw/zinc/60/66/41/886606641.db2.gz VONUVIFRPXWEIR-LPHOPBHVSA-N 2 1 398.954 3.503 20 0 GHADMP C[C@H](NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000119551326 886743305 /nfs/dbraw/zinc/74/33/05/886743305.db2.gz GVYZWYGTURFUGF-IBGZPJMESA-N 2 1 388.600 3.516 20 0 GHADMP COc1c(C)cnc(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000057613249 886770496 /nfs/dbraw/zinc/77/04/96/886770496.db2.gz MZOIVRYOKXNGPM-KRWDZBQOSA-N 2 1 376.545 3.503 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000237122298 886913196 /nfs/dbraw/zinc/91/31/96/886913196.db2.gz MQQRKRIZFAZAHI-OAHLLOKOSA-N 2 1 381.948 3.920 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)[C@H](C)C1 ZINC000120107652 887846199 /nfs/dbraw/zinc/84/61/99/887846199.db2.gz KDOFPTWHQSYDTR-NEWSRXKRSA-N 2 1 376.566 3.661 20 0 GHADMP c1c(C[NH2+][C@@H]2CCCc3ccccc32)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000864630227 887896446 /nfs/dbraw/zinc/89/64/46/887896446.db2.gz JYFMUWBKAXHLOU-LADGPHEKSA-N 2 1 387.531 3.892 20 0 GHADMP c1c(C[NH2+][C@@H]2CCCc3ccccc32)nnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864630227 887896452 /nfs/dbraw/zinc/89/64/52/887896452.db2.gz JYFMUWBKAXHLOU-LADGPHEKSA-N 2 1 387.531 3.892 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000809954757 888021238 /nfs/dbraw/zinc/02/12/38/888021238.db2.gz FMPHBUQLDQDMSM-MUGJNUQGSA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000809954757 888021255 /nfs/dbraw/zinc/02/12/55/888021255.db2.gz FMPHBUQLDQDMSM-MUGJNUQGSA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000809954757 888021267 /nfs/dbraw/zinc/02/12/67/888021267.db2.gz FMPHBUQLDQDMSM-MUGJNUQGSA-N 2 1 379.589 3.734 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000287277416 913231087 /nfs/dbraw/zinc/23/10/87/913231087.db2.gz YULXWJRYGBAKDW-QUFMSWDXSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287277416 913231123 /nfs/dbraw/zinc/23/11/23/913231123.db2.gz YULXWJRYGBAKDW-QUFMSWDXSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287277416 913231143 /nfs/dbraw/zinc/23/11/43/913231143.db2.gz YULXWJRYGBAKDW-QUFMSWDXSA-N 2 1 398.595 3.828 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(C(F)(F)F)cs1 ZINC000532717553 888504260 /nfs/dbraw/zinc/50/42/60/888504260.db2.gz SJBAPMDCHUUDCD-UHFFFAOYSA-N 2 1 390.519 3.794 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000195136902 888649545 /nfs/dbraw/zinc/64/95/45/888649545.db2.gz CICMVHKLLICKAB-ICSRJNTNSA-N 2 1 379.504 3.816 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000532793793 889002425 /nfs/dbraw/zinc/00/24/25/889002425.db2.gz OBUQURKOBPCNMS-FXAWDEMLSA-N 2 1 392.975 3.508 20 0 GHADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cccc(Br)c1 ZINC000532919901 889333502 /nfs/dbraw/zinc/33/35/02/889333502.db2.gz FSWZYKATWGXGKV-UHFFFAOYSA-N 2 1 394.357 3.728 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C(F)(F)F ZINC001168515280 889520786 /nfs/dbraw/zinc/52/07/86/889520786.db2.gz RERFMXKSZFFOHM-HOCLYGCPSA-N 2 1 391.478 3.533 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124525975 889660961 /nfs/dbraw/zinc/66/09/61/889660961.db2.gz HBKNTUDGZMWPED-GFCCVEGCSA-N 2 1 376.136 3.643 20 0 GHADMP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c(F)cc1F ZINC000124883681 889803245 /nfs/dbraw/zinc/80/32/45/889803245.db2.gz PUBYRUVLOUJPHA-LEWJYISDSA-N 2 1 393.522 3.682 20 0 GHADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000124997563 889842042 /nfs/dbraw/zinc/84/20/42/889842042.db2.gz LPMGCWPFVMEDEO-LJQANCHMSA-N 2 1 395.547 3.761 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644651545 913427942 /nfs/dbraw/zinc/42/79/42/913427942.db2.gz ZCTSSRYRKKEJGC-DNQXCXABSA-N 2 1 396.575 3.881 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173636851 890453213 /nfs/dbraw/zinc/45/32/13/890453213.db2.gz FDQHMKAKRUKNRV-FQEVSTJZSA-N 2 1 397.567 3.624 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173636851 890453220 /nfs/dbraw/zinc/45/32/20/890453220.db2.gz FDQHMKAKRUKNRV-FQEVSTJZSA-N 2 1 397.567 3.624 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173636851 890453227 /nfs/dbraw/zinc/45/32/27/890453227.db2.gz FDQHMKAKRUKNRV-FQEVSTJZSA-N 2 1 397.567 3.624 20 0 GHADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000870989540 890597108 /nfs/dbraw/zinc/59/71/08/890597108.db2.gz KLQYAMINBCHFBO-FDDCHVKYSA-N 2 1 386.584 3.717 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Cl ZINC000126678664 890644545 /nfs/dbraw/zinc/64/45/45/890644545.db2.gz IQGAZUMUDYPFOC-QGZVFWFLSA-N 2 1 387.955 3.947 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CSCCc4ccccc43)cc2)CC1 ZINC000126730312 890668775 /nfs/dbraw/zinc/66/87/75/890668775.db2.gz LITWWNJISXLSRL-HSZRJFAPSA-N 2 1 381.589 3.554 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000917008835 890723041 /nfs/dbraw/zinc/72/30/41/890723041.db2.gz SLSNFJWKAKGDKH-WZONZLPQSA-N 2 1 398.547 3.901 20 0 GHADMP Cc1ccc(-c2noc([C@@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2)cc1F ZINC000871785600 891011015 /nfs/dbraw/zinc/01/10/15/891011015.db2.gz JHSMTSBLANTAHV-OHRKKDJYSA-N 2 1 387.459 3.616 20 0 GHADMP Cc1ccc(-c2noc([C@@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2)cc1F ZINC000871785600 891011025 /nfs/dbraw/zinc/01/10/25/891011025.db2.gz JHSMTSBLANTAHV-OHRKKDJYSA-N 2 1 387.459 3.616 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@H](C)C1 ZINC000127484047 891089296 /nfs/dbraw/zinc/08/92/96/891089296.db2.gz MKJUHQSXQLWCII-UZLBHIALSA-N 2 1 394.401 3.733 20 0 GHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000066962030 891123644 /nfs/dbraw/zinc/12/36/44/891123644.db2.gz UILQJILWTWZKMY-KRWDZBQOSA-N 2 1 383.536 3.949 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872026217 891124070 /nfs/dbraw/zinc/12/40/70/891124070.db2.gz ZFVGJPULYKJSBQ-SJLPKXTDSA-N 2 1 378.314 3.712 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000497354328 891125520 /nfs/dbraw/zinc/12/55/20/891125520.db2.gz FNMYWYGTYURBGM-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000872036899 891128978 /nfs/dbraw/zinc/12/89/78/891128978.db2.gz WOWAMUAUGVPWIT-MSOLQXFVSA-N 2 1 385.474 3.595 20 0 GHADMP C[C@@H](c1cccs1)c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872175578 891198738 /nfs/dbraw/zinc/19/87/38/891198738.db2.gz NRZZTBRXLKJGEK-INIZCTEOSA-N 2 1 382.533 3.819 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695383 891216824 /nfs/dbraw/zinc/21/68/24/891216824.db2.gz AOBIDAOYQCCJSD-GREBRCKQSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695383 891216839 /nfs/dbraw/zinc/21/68/39/891216839.db2.gz AOBIDAOYQCCJSD-GREBRCKQSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695383 891216855 /nfs/dbraw/zinc/21/68/55/891216855.db2.gz AOBIDAOYQCCJSD-GREBRCKQSA-N 2 1 390.518 3.502 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001137068478 891473541 /nfs/dbraw/zinc/47/35/41/891473541.db2.gz GDEPAFUKHCVROH-WIYYLYMNSA-N 2 1 381.520 3.516 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)cc1 ZINC000497418456 891536599 /nfs/dbraw/zinc/53/65/99/891536599.db2.gz PVOJKJGUALLNRH-PKTZIBPZSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000497418456 891536602 /nfs/dbraw/zinc/53/66/02/891536602.db2.gz PVOJKJGUALLNRH-PKTZIBPZSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000497418456 891536607 /nfs/dbraw/zinc/53/66/07/891536607.db2.gz PVOJKJGUALLNRH-PKTZIBPZSA-N 2 1 379.548 3.746 20 0 GHADMP Fc1cc(OC(F)F)ccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873253408 891551020 /nfs/dbraw/zinc/55/10/20/891551020.db2.gz XELUSUJFUFXNIA-YLJYHZDGSA-N 2 1 378.394 3.773 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000161639786 891767615 /nfs/dbraw/zinc/76/76/15/891767615.db2.gz VDSDIFWFKZAAMG-VXKWHMMOSA-N 2 1 392.632 3.939 20 0 GHADMP Brc1ccccc1-c1noc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000261835804 892137494 /nfs/dbraw/zinc/13/74/94/892137494.db2.gz JKEUABPKANYBCQ-MRXNPFEDSA-N 2 1 391.313 3.636 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262047164 892205288 /nfs/dbraw/zinc/20/52/88/892205288.db2.gz PXBZDWFWZVCCRA-DEOSSOPVSA-N 2 1 388.515 3.733 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262047164 892205302 /nfs/dbraw/zinc/20/53/02/892205302.db2.gz PXBZDWFWZVCCRA-DEOSSOPVSA-N 2 1 388.515 3.733 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000666838957 892500275 /nfs/dbraw/zinc/50/02/75/892500275.db2.gz KMYPESUTOGWGIY-JOCHJYFZSA-N 2 1 394.563 3.571 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645109483 913681767 /nfs/dbraw/zinc/68/17/67/913681767.db2.gz YXKWHPNOGCGDIC-URVUXULASA-N 2 1 399.579 3.544 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cn2c3c(sc2=O)CCCC3)CC1 ZINC000125525151 892751777 /nfs/dbraw/zinc/75/17/77/892751777.db2.gz HFVAHJPLDSGFHE-KRWDZBQOSA-N 2 1 377.598 3.723 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714121 892792279 /nfs/dbraw/zinc/79/22/79/892792279.db2.gz URPJXNBCPNWONB-OFVILXPXSA-N 3 1 393.575 3.519 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674196 893050024 /nfs/dbraw/zinc/05/00/24/893050024.db2.gz OBUSUCRNCFERHQ-OALUTQOASA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674196 893050041 /nfs/dbraw/zinc/05/00/41/893050041.db2.gz OBUSUCRNCFERHQ-OALUTQOASA-N 2 1 376.545 3.551 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000876898951 893378258 /nfs/dbraw/zinc/37/82/58/893378258.db2.gz QUNKAKMLFNULAW-OFAXGOBFSA-N 2 1 396.531 3.695 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000876898951 893378272 /nfs/dbraw/zinc/37/82/72/893378272.db2.gz QUNKAKMLFNULAW-OFAXGOBFSA-N 2 1 396.531 3.695 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000563130740 893391223 /nfs/dbraw/zinc/39/12/23/893391223.db2.gz UBIAUINOLJIZJQ-BBRMVZONSA-N 2 1 391.357 3.811 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877190575 893526708 /nfs/dbraw/zinc/52/67/08/893526708.db2.gz LCBCFJVVSYDKKI-QGZVFWFLSA-N 2 1 385.895 3.728 20 0 GHADMP c1csc(C[C@H]2CC[NH+](CCCC[N@H+]3CC[C@H](Cc4nccs4)C3)C2)n1 ZINC000934334902 893554299 /nfs/dbraw/zinc/55/42/99/893554299.db2.gz YSNXNTVCVISSFG-QZTJIDSGSA-N 2 1 390.622 3.809 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C[C@H]([NH3+])C4CCCC4)C3)CC2)[nH+]c1 ZINC000877451061 893614542 /nfs/dbraw/zinc/61/45/42/893614542.db2.gz IYCCTJPOCSAXQD-KNQAVFIVSA-N 2 1 398.595 3.753 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476351 893633121 /nfs/dbraw/zinc/63/31/21/893633121.db2.gz BMEPTOGVZQJQTJ-GCOVDLRRSA-N 2 1 382.485 3.590 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476351 893633126 /nfs/dbraw/zinc/63/31/26/893633126.db2.gz BMEPTOGVZQJQTJ-GCOVDLRRSA-N 2 1 382.485 3.590 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459530365 893740464 /nfs/dbraw/zinc/74/04/64/893740464.db2.gz PKYLIHUZHPXTHL-RBBKRZOGSA-N 2 1 379.548 3.523 20 0 GHADMP O=C(CC1CCCCC1)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563535168 893875614 /nfs/dbraw/zinc/87/56/14/893875614.db2.gz OYIRCVIXHPUPHW-QFIPXVFZSA-N 2 1 383.580 3.860 20 0 GHADMP O=C(CC1CCCCC1)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563535168 893875630 /nfs/dbraw/zinc/87/56/30/893875630.db2.gz OYIRCVIXHPUPHW-QFIPXVFZSA-N 2 1 383.580 3.860 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878195358 894084549 /nfs/dbraw/zinc/08/45/49/894084549.db2.gz NCXGWAGRBVYLFL-KRWDZBQOSA-N 2 1 384.524 3.919 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878195358 894084568 /nfs/dbraw/zinc/08/45/68/894084568.db2.gz NCXGWAGRBVYLFL-KRWDZBQOSA-N 2 1 384.524 3.919 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198121 894085448 /nfs/dbraw/zinc/08/54/48/894085448.db2.gz SPQUDXZTGBZPQO-VJBWXMMDSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198121 894085469 /nfs/dbraw/zinc/08/54/69/894085469.db2.gz SPQUDXZTGBZPQO-VJBWXMMDSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@@H]32)cc1 ZINC000878198121 894085486 /nfs/dbraw/zinc/08/54/86/894085486.db2.gz SPQUDXZTGBZPQO-VJBWXMMDSA-N 2 1 384.564 3.559 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000878303842 894180416 /nfs/dbraw/zinc/18/04/16/894180416.db2.gz CSZRXOZZRXHKHQ-ICSRJNTNSA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000878303842 894180422 /nfs/dbraw/zinc/18/04/22/894180422.db2.gz CSZRXOZZRXHKHQ-ICSRJNTNSA-N 2 1 381.524 3.613 20 0 GHADMP Fc1cccnc1N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563886203 894296783 /nfs/dbraw/zinc/29/67/83/894296783.db2.gz OXDZIZHSJFIKCV-WOJBJXKFSA-N 2 1 380.511 3.586 20 0 GHADMP Fc1cccnc1N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563886203 894296797 /nfs/dbraw/zinc/29/67/97/894296797.db2.gz OXDZIZHSJFIKCV-WOJBJXKFSA-N 2 1 380.511 3.586 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(Cn4cccn4)cc3)CC2)cc1 ZINC000564074630 894549190 /nfs/dbraw/zinc/54/91/90/894549190.db2.gz NCNJKTCDSGNIQA-UHFFFAOYSA-N 2 1 392.522 3.867 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000564207239 894722785 /nfs/dbraw/zinc/72/27/85/894722785.db2.gz GSZDJLQNOAQUFL-MISYRCLQSA-N 2 1 385.577 3.973 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000816619409 894979039 /nfs/dbraw/zinc/97/90/39/894979039.db2.gz FWVHBBSPZVNGQY-UHFFFAOYSA-N 2 1 384.593 3.693 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000564591488 895105310 /nfs/dbraw/zinc/10/53/10/895105310.db2.gz FIWGKUWBFZWTHH-APWZRJJASA-N 2 1 380.964 3.505 20 0 GHADMP COc1cccc(C2([NH2+]Cc3cn(-c4cc[nH+]cc4)nc3C)CCOCC2)c1F ZINC000564791548 895251955 /nfs/dbraw/zinc/25/19/55/895251955.db2.gz SKYHVVIKRMSJIH-UHFFFAOYSA-N 2 1 396.466 3.519 20 0 GHADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000564929368 895311153 /nfs/dbraw/zinc/31/11/53/895311153.db2.gz PLEWBDUFCDSSCS-DSLXNQLJSA-N 2 1 397.485 3.593 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000565195810 895453540 /nfs/dbraw/zinc/45/35/40/895453540.db2.gz NFUIEVYJCOISIZ-XZOQPEGZSA-N 2 1 377.532 3.627 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000566106109 896112180 /nfs/dbraw/zinc/11/21/80/896112180.db2.gz GUMPBBLAZIXIKL-LJQANCHMSA-N 2 1 386.561 3.625 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000566106109 896112185 /nfs/dbraw/zinc/11/21/85/896112185.db2.gz GUMPBBLAZIXIKL-LJQANCHMSA-N 2 1 386.561 3.625 20 0 GHADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000566244616 896196844 /nfs/dbraw/zinc/19/68/44/896196844.db2.gz FMZOLVGXUYUIAY-KRWDZBQOSA-N 2 1 395.551 3.528 20 0 GHADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000819220048 896512499 /nfs/dbraw/zinc/51/24/99/896512499.db2.gz JTKKUTWZMDSDFX-YVEFUNNKSA-N 2 1 387.749 3.550 20 0 GHADMP Cc1ccc(OC[C@@H](O)CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000819445910 896681369 /nfs/dbraw/zinc/68/13/69/896681369.db2.gz VFEHKOBARWMWCJ-QHCPKHFHSA-N 2 1 397.563 3.625 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136218885 896701425 /nfs/dbraw/zinc/70/14/25/896701425.db2.gz FVLZPMHMVGCRTE-QUCCMNQESA-N 2 1 377.960 3.715 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3nc4ccccc4s3)o2)CC12CCOCC2 ZINC000567589086 897276137 /nfs/dbraw/zinc/27/61/37/897276137.db2.gz WIDDQFJMXPFBIY-OAHLLOKOSA-N 2 1 383.517 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)s1 ZINC000568045582 897554883 /nfs/dbraw/zinc/55/48/83/897554883.db2.gz FTJUPTLWQPLVSW-AZUAARDMSA-N 2 1 377.598 3.600 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)s1 ZINC000568045582 897554897 /nfs/dbraw/zinc/55/48/97/897554897.db2.gz FTJUPTLWQPLVSW-AZUAARDMSA-N 2 1 377.598 3.600 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)s1 ZINC000568045582 897554912 /nfs/dbraw/zinc/55/49/12/897554912.db2.gz FTJUPTLWQPLVSW-AZUAARDMSA-N 2 1 377.598 3.600 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000131921325 897610049 /nfs/dbraw/zinc/61/00/49/897610049.db2.gz RBGJONQJWFWQOC-IAGOWNOFSA-N 2 1 379.570 3.559 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000131921325 897610050 /nfs/dbraw/zinc/61/00/50/897610050.db2.gz RBGJONQJWFWQOC-IAGOWNOFSA-N 2 1 379.570 3.559 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC001136420782 897769075 /nfs/dbraw/zinc/76/90/75/897769075.db2.gz VHQGRQZHEPFQHS-ZTFGCOKTSA-N 2 1 385.474 3.545 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccccc3C[NH+](C)C)C2)s1 ZINC000568403426 897809723 /nfs/dbraw/zinc/80/97/23/897809723.db2.gz YRAYZZJPEOJIDP-SFHVURJKSA-N 2 1 385.577 3.712 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4cc(C)cc(C)c4)C3)CC2)CC1 ZINC000568647774 898006394 /nfs/dbraw/zinc/00/63/94/898006394.db2.gz UZJZXSILVBOONV-JOCHJYFZSA-N 2 1 397.607 3.816 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)CCO2 ZINC000646106067 914259446 /nfs/dbraw/zinc/25/94/46/914259446.db2.gz GZFYDCNJFDKISY-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(OCc3ccc(F)cc3)cc1)CCO2 ZINC000646106067 914259461 /nfs/dbraw/zinc/25/94/61/914259461.db2.gz GZFYDCNJFDKISY-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485427 898705154 /nfs/dbraw/zinc/70/51/54/898705154.db2.gz PIAWOYODVHTWPF-ICDZXHCJSA-N 2 1 399.623 3.768 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485427 898705163 /nfs/dbraw/zinc/70/51/63/898705163.db2.gz PIAWOYODVHTWPF-ICDZXHCJSA-N 3 1 399.623 3.768 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485427 898705170 /nfs/dbraw/zinc/70/51/70/898705170.db2.gz PIAWOYODVHTWPF-ICDZXHCJSA-N 3 1 399.623 3.768 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C(C)(C)C3)c2)CC1(C)C ZINC000569545647 898769400 /nfs/dbraw/zinc/76/94/00/898769400.db2.gz LYCBZAWLCULKFV-OYRHEFFESA-N 2 1 389.584 3.575 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OC)C(C)(C)C3)c2)CC1(C)C ZINC000569545647 898769411 /nfs/dbraw/zinc/76/94/11/898769411.db2.gz LYCBZAWLCULKFV-OYRHEFFESA-N 2 1 389.584 3.575 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OC)C(C)(C)C3)c2)CC1(C)C ZINC000569545647 898769420 /nfs/dbraw/zinc/76/94/20/898769420.db2.gz LYCBZAWLCULKFV-OYRHEFFESA-N 2 1 389.584 3.575 20 0 GHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(OC)c1OC ZINC000111391608 898802666 /nfs/dbraw/zinc/80/26/66/898802666.db2.gz IVWKZNOBSWSMDO-SEJPIABJSA-N 2 1 396.531 3.998 20 0 GHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(OC)c1OC ZINC000111391608 898802673 /nfs/dbraw/zinc/80/26/73/898802673.db2.gz IVWKZNOBSWSMDO-SEJPIABJSA-N 2 1 396.531 3.998 20 0 GHADMP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000569694036 898890982 /nfs/dbraw/zinc/89/09/82/898890982.db2.gz GWJZDQOFNYNRIO-PGRDOPGGSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490131 899061365 /nfs/dbraw/zinc/06/13/65/899061365.db2.gz VGUADEAEXYLYNX-XCJLJZCSSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490131 899061380 /nfs/dbraw/zinc/06/13/80/899061380.db2.gz VGUADEAEXYLYNX-XCJLJZCSSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490131 899061396 /nfs/dbraw/zinc/06/13/96/899061396.db2.gz VGUADEAEXYLYNX-XCJLJZCSSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490131 899061411 /nfs/dbraw/zinc/06/14/11/899061411.db2.gz VGUADEAEXYLYNX-XCJLJZCSSA-N 2 1 391.600 3.971 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171021760 899127654 /nfs/dbraw/zinc/12/76/54/899127654.db2.gz BBOYDFLHBIYNDI-MRXNPFEDSA-N 2 1 393.959 3.515 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823666294 899175864 /nfs/dbraw/zinc/17/58/64/899175864.db2.gz JJBJIBIVSBEFOX-HYBUGGRVSA-N 2 1 399.579 3.806 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cn1 ZINC000823677119 899203288 /nfs/dbraw/zinc/20/32/88/899203288.db2.gz PYLSFYWHUQWIHA-SJLPKXTDSA-N 2 1 399.539 3.701 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000570331999 899267221 /nfs/dbraw/zinc/26/72/21/899267221.db2.gz XGVIPDLRVPFSCX-IBGZPJMESA-N 2 1 381.486 3.800 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000570331999 899267231 /nfs/dbraw/zinc/26/72/31/899267231.db2.gz XGVIPDLRVPFSCX-IBGZPJMESA-N 2 1 381.486 3.800 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570570942 899398971 /nfs/dbraw/zinc/39/89/71/899398971.db2.gz UMXFUNAMYHWGNH-FGTMMUONSA-N 2 1 390.597 3.519 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)[C@@H]1c1cccs1 ZINC000884227808 899430921 /nfs/dbraw/zinc/43/09/21/899430921.db2.gz YPGPZSWWEDPJAD-HGHGUNKESA-N 2 1 397.544 3.563 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631925 899456543 /nfs/dbraw/zinc/45/65/43/899456543.db2.gz WIGKDDNEPSVTGB-NHTMILBNSA-N 2 1 399.623 3.910 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631925 899456547 /nfs/dbraw/zinc/45/65/47/899456547.db2.gz WIGKDDNEPSVTGB-NHTMILBNSA-N 2 1 399.623 3.910 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631925 899456553 /nfs/dbraw/zinc/45/65/53/899456553.db2.gz WIGKDDNEPSVTGB-NHTMILBNSA-N 2 1 399.623 3.910 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000570787055 899590825 /nfs/dbraw/zinc/59/08/25/899590825.db2.gz BVRITDGTZGQOSY-LSWJPFSZSA-N 2 1 379.548 3.947 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000570787055 899590839 /nfs/dbraw/zinc/59/08/39/899590839.db2.gz BVRITDGTZGQOSY-LSWJPFSZSA-N 2 1 379.548 3.947 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000570819391 899613186 /nfs/dbraw/zinc/61/31/86/899613186.db2.gz NDEVWYJAOLMYHW-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cs2)cc1 ZINC000571646215 899934046 /nfs/dbraw/zinc/93/40/46/899934046.db2.gz OLKJGFAKDQFCQH-FXAWDEMLSA-N 2 1 386.565 3.913 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001137208884 900028710 /nfs/dbraw/zinc/02/87/10/900028710.db2.gz OZAFGDVKHLIZRH-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001137208884 900028715 /nfs/dbraw/zinc/02/87/15/900028715.db2.gz OZAFGDVKHLIZRH-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC001137208884 900028719 /nfs/dbraw/zinc/02/87/19/900028719.db2.gz OZAFGDVKHLIZRH-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC001137208884 900028727 /nfs/dbraw/zinc/02/87/27/900028727.db2.gz OZAFGDVKHLIZRH-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)COC5)CC3)C2)cc1 ZINC001137025384 900121229 /nfs/dbraw/zinc/12/12/29/900121229.db2.gz COSVSXUPXLNHMU-UHFFFAOYSA-N 2 1 378.516 3.584 20 0 GHADMP Cc1cc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000573299696 900451318 /nfs/dbraw/zinc/45/13/18/900451318.db2.gz YMILANTZKGCHDE-OAQYLSRUSA-N 2 1 393.535 3.861 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000885923671 900639548 /nfs/dbraw/zinc/63/95/48/900639548.db2.gz AEDVZLJWFKGJAT-ZRCGQRJVSA-N 2 1 386.580 3.982 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646378378 914466999 /nfs/dbraw/zinc/46/69/99/914466999.db2.gz JNNUGZUVJGVENS-QHAWAJNXSA-N 2 1 398.595 3.731 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000574021379 900745389 /nfs/dbraw/zinc/74/53/89/900745389.db2.gz KLMURYNUYCYBLL-YSIASYRMSA-N 2 1 384.568 3.961 20 0 GHADMP COc1ccc(OC(F)(F)F)cc1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001144009232 900883677 /nfs/dbraw/zinc/88/36/77/900883677.db2.gz QFLOKSMNVXASBI-UHFFFAOYSA-N 2 1 381.398 3.619 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000886298666 900923486 /nfs/dbraw/zinc/92/34/86/900923486.db2.gz GNZXUOUHFQUANN-YMPZKCBVSA-N 2 1 386.580 3.995 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC000886298666 900923490 /nfs/dbraw/zinc/92/34/90/900923490.db2.gz GNZXUOUHFQUANN-YMPZKCBVSA-N 2 1 386.580 3.995 20 0 GHADMP CCC1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000574729216 900985547 /nfs/dbraw/zinc/98/55/47/900985547.db2.gz DBRNQZICWOKXHR-NRFANRHFSA-N 2 1 394.563 3.563 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886497159 901078998 /nfs/dbraw/zinc/07/89/98/901078998.db2.gz URPSPKXBNVSWCY-PMVMPFDFSA-N 2 1 377.532 3.531 20 0 GHADMP CCc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc(CC)c1O ZINC001144142289 901120807 /nfs/dbraw/zinc/12/08/07/901120807.db2.gz NZAUBRIVYAOBJU-ISKFKSNPSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc(CC)c1O ZINC001144142289 901120819 /nfs/dbraw/zinc/12/08/19/901120819.db2.gz NZAUBRIVYAOBJU-ISKFKSNPSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc(CC)c1O ZINC001144142289 901120826 /nfs/dbraw/zinc/12/08/26/901120826.db2.gz NZAUBRIVYAOBJU-ISKFKSNPSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc(CC)c1O ZINC001144142289 901120834 /nfs/dbraw/zinc/12/08/34/901120834.db2.gz NZAUBRIVYAOBJU-ISKFKSNPSA-N 2 1 386.580 3.697 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(NC(N)=O)cc1 ZINC000886526826 901124794 /nfs/dbraw/zinc/12/47/94/901124794.db2.gz SXKZGKPRLATFBQ-BYZLFZLASA-N 2 1 378.520 3.881 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886545055 901144951 /nfs/dbraw/zinc/14/49/51/901144951.db2.gz GGBSCHPCGQDSJA-WWNPGLIZSA-N 2 1 393.531 3.667 20 0 GHADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@@H]1CC[N@H+](CC3CCOCC3)C1)CC2 ZINC001171146331 901148600 /nfs/dbraw/zinc/14/86/00/901148600.db2.gz BRUPTEBKVJHQRB-QZTJIDSGSA-N 2 1 383.363 3.941 20 0 GHADMP Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CCOCC3)C1)CC2 ZINC001171146331 901148605 /nfs/dbraw/zinc/14/86/05/901148605.db2.gz BRUPTEBKVJHQRB-QZTJIDSGSA-N 2 1 383.363 3.941 20 0 GHADMP CNC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000886605603 901185709 /nfs/dbraw/zinc/18/57/09/901185709.db2.gz VDCXLOGTYFZZNZ-FCJDFRRUSA-N 2 1 377.532 3.507 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886609462 901188802 /nfs/dbraw/zinc/18/88/02/901188802.db2.gz USTWBASFFZXRBV-GIRPNKPCSA-N 2 1 382.573 3.708 20 0 GHADMP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)O2)[C@H]1C ZINC000886772013 901264858 /nfs/dbraw/zinc/26/48/58/901264858.db2.gz RGQWXTIUAWROHX-ZUNIMCITSA-N 2 1 384.564 3.744 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000576036920 901608992 /nfs/dbraw/zinc/60/89/92/901608992.db2.gz AIKULBPHIMRMMK-SFHVURJKSA-N 2 1 390.597 3.728 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000576707295 902206793 /nfs/dbraw/zinc/20/67/93/902206793.db2.gz LIRMMEMQNNJGFZ-RBBKRZOGSA-N 2 1 385.577 3.647 20 0 GHADMP Brc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000576875119 902325685 /nfs/dbraw/zinc/32/56/85/902325685.db2.gz MLPQRLUSCZLUQV-CVEARBPZSA-N 2 1 390.325 3.926 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Br)ccc1F ZINC000576977712 902402806 /nfs/dbraw/zinc/40/28/06/902402806.db2.gz UEUCNDIKGQMINY-UHFFFAOYSA-N 2 1 396.304 3.604 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CC(c4cc(F)cc(F)c4)C3)cc2)CC1 ZINC000577324037 902681255 /nfs/dbraw/zinc/68/12/55/902681255.db2.gz HIRFXZJSNRKCKN-UHFFFAOYSA-N 2 1 385.502 3.748 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)C2)cc1 ZINC000577615994 902955803 /nfs/dbraw/zinc/95/58/03/902955803.db2.gz DEVYRYKWLMSAKO-HSZRJFAPSA-N 2 1 377.536 3.569 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)C2)cc1 ZINC000577615994 902955809 /nfs/dbraw/zinc/95/58/09/902955809.db2.gz DEVYRYKWLMSAKO-HSZRJFAPSA-N 2 1 377.536 3.569 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000600834217 902980076 /nfs/dbraw/zinc/98/00/76/902980076.db2.gz OZGSYLIRAREHRZ-OALUTQOASA-N 2 1 390.572 3.616 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000600845674 902997238 /nfs/dbraw/zinc/99/72/38/902997238.db2.gz IOSHIFIAOMIBHC-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000600845674 902997242 /nfs/dbraw/zinc/99/72/42/902997242.db2.gz IOSHIFIAOMIBHC-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000600845674 902997252 /nfs/dbraw/zinc/99/72/52/902997252.db2.gz IOSHIFIAOMIBHC-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000577766681 903168185 /nfs/dbraw/zinc/16/81/85/903168185.db2.gz GVBDQSBLBCUTDG-UHFFFAOYSA-N 2 1 385.552 3.535 20 0 GHADMP COc1cccc(C[C@H]([NH3+])C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC001144940831 903206208 /nfs/dbraw/zinc/20/62/08/903206208.db2.gz ABUAPPLNGQLDIX-QFIPXVFZSA-N 2 1 395.547 3.968 20 0 GHADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000846991315 903372425 /nfs/dbraw/zinc/37/24/25/903372425.db2.gz LNWZABZVZRLTON-FQEVSTJZSA-N 2 1 391.556 3.526 20 0 GHADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000846991315 903372438 /nfs/dbraw/zinc/37/24/38/903372438.db2.gz LNWZABZVZRLTON-FQEVSTJZSA-N 2 1 391.556 3.526 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc(OC)c1OCC(F)F ZINC000290540164 914725327 /nfs/dbraw/zinc/72/53/27/914725327.db2.gz RFMZSNKMDORPSI-KRWDZBQOSA-N 2 1 398.494 3.511 20 0 GHADMP COc1c(O)cccc1C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000290568413 914737363 /nfs/dbraw/zinc/73/73/63/914737363.db2.gz SWQNYYWALCUDJP-UHFFFAOYSA-N 2 1 399.535 3.518 20 0 GHADMP COc1c(O)cccc1C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000290568413 914737370 /nfs/dbraw/zinc/73/73/70/914737370.db2.gz SWQNYYWALCUDJP-UHFFFAOYSA-N 2 1 399.535 3.518 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC001147479963 903797474 /nfs/dbraw/zinc/79/74/74/903797474.db2.gz ZOODEWNUCHMSKQ-APWZRJJASA-N 2 1 399.501 3.936 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H](C)C1 ZINC000779075932 903942048 /nfs/dbraw/zinc/94/20/48/903942048.db2.gz LOJCNMMFNJZRKT-YSTOQKLRSA-N 2 1 397.604 3.501 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC001148165796 904001395 /nfs/dbraw/zinc/00/13/95/904001395.db2.gz SOXSTVCOWDVDOL-DNVJHFABSA-N 2 1 385.596 3.868 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001148165796 904001409 /nfs/dbraw/zinc/00/14/09/904001409.db2.gz SOXSTVCOWDVDOL-DNVJHFABSA-N 2 1 385.596 3.868 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC001148165796 904001423 /nfs/dbraw/zinc/00/14/23/904001423.db2.gz SOXSTVCOWDVDOL-DNVJHFABSA-N 2 1 385.596 3.868 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000578791255 904124797 /nfs/dbraw/zinc/12/47/97/904124797.db2.gz YSYHTRMIXNXTRJ-JOCHJYFZSA-N 2 1 396.535 3.598 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000578791255 904124804 /nfs/dbraw/zinc/12/48/04/904124804.db2.gz YSYHTRMIXNXTRJ-JOCHJYFZSA-N 2 1 396.535 3.598 20 0 GHADMP CCCCCN(C)c1ccc(F)cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000578892461 904208707 /nfs/dbraw/zinc/20/87/07/904208707.db2.gz WQOBNLOVCLUYSJ-LJQANCHMSA-N 2 1 377.548 3.639 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC=CCCC1 ZINC001148799266 904212600 /nfs/dbraw/zinc/21/26/00/904212600.db2.gz GDKDYMHSINDWSS-OAQYLSRUSA-N 2 1 375.601 3.778 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000579110530 904356097 /nfs/dbraw/zinc/35/60/97/904356097.db2.gz NYFQUMJPDUGSGO-YAJHFMINSA-N 2 1 395.950 3.886 20 0 GHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000153454954 904364361 /nfs/dbraw/zinc/36/43/61/904364361.db2.gz SSXDQBAXVHWTND-ROUUACIJSA-N 2 1 381.520 3.717 20 0 GHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000153454954 904364374 /nfs/dbraw/zinc/36/43/74/904364374.db2.gz SSXDQBAXVHWTND-ROUUACIJSA-N 2 1 381.520 3.717 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccc5c4OCCO5)C3)CC2)cc1 ZINC000579150082 904380379 /nfs/dbraw/zinc/38/03/79/904380379.db2.gz BDPXCRONWLPNGH-UHFFFAOYSA-N 2 1 378.516 3.946 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000579472462 904633909 /nfs/dbraw/zinc/63/39/09/904633909.db2.gz VPJCOIPHJKIWHO-QFIPXVFZSA-N 2 1 393.531 3.671 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000579472462 904633917 /nfs/dbraw/zinc/63/39/17/904633917.db2.gz VPJCOIPHJKIWHO-QFIPXVFZSA-N 2 1 393.531 3.671 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564618 904828865 /nfs/dbraw/zinc/82/88/65/904828865.db2.gz CTQGQVGRCXZMMC-UNMCSNQZSA-N 2 1 384.564 3.592 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564618 904828883 /nfs/dbraw/zinc/82/88/83/904828883.db2.gz CTQGQVGRCXZMMC-UNMCSNQZSA-N 2 1 384.564 3.592 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001171672644 904913160 /nfs/dbraw/zinc/91/31/60/904913160.db2.gz UEGGCTUHEZMXDO-AZOUXBGGSA-N 2 1 395.595 3.781 20 0 GHADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001171672644 904913176 /nfs/dbraw/zinc/91/31/76/904913176.db2.gz UEGGCTUHEZMXDO-AZOUXBGGSA-N 2 1 395.595 3.781 20 0 GHADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001171672644 904913192 /nfs/dbraw/zinc/91/31/92/904913192.db2.gz UEGGCTUHEZMXDO-AZOUXBGGSA-N 2 1 395.595 3.781 20 0 GHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000646807761 914860044 /nfs/dbraw/zinc/86/00/44/914860044.db2.gz RJBCYPPTKDBLGS-QGZVFWFLSA-N 2 1 396.579 3.786 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000646807761 914860059 /nfs/dbraw/zinc/86/00/59/914860059.db2.gz RJBCYPPTKDBLGS-QGZVFWFLSA-N 2 1 396.579 3.786 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000646807761 914860075 /nfs/dbraw/zinc/86/00/75/914860075.db2.gz RJBCYPPTKDBLGS-QGZVFWFLSA-N 2 1 396.579 3.786 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000646807761 914860092 /nfs/dbraw/zinc/86/00/92/914860092.db2.gz RJBCYPPTKDBLGS-QGZVFWFLSA-N 2 1 396.579 3.786 20 0 GHADMP COc1ccc(CC2([NH3+])CCN([C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171740105 905026947 /nfs/dbraw/zinc/02/69/47/905026947.db2.gz SGFIIEYVPVHPEH-REWPJTCUSA-N 2 1 393.575 3.694 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171829701 905043277 /nfs/dbraw/zinc/04/32/77/905043277.db2.gz KDSWURNLSSAZRT-RZIOSVHNSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171829701 905043298 /nfs/dbraw/zinc/04/32/98/905043298.db2.gz KDSWURNLSSAZRT-RZIOSVHNSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171829701 905043316 /nfs/dbraw/zinc/04/33/16/905043316.db2.gz KDSWURNLSSAZRT-RZIOSVHNSA-N 2 1 379.589 3.827 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3Cc4cccc(F)c4C3)C[C@H]21 ZINC001171801015 905060142 /nfs/dbraw/zinc/06/01/42/905060142.db2.gz GAKOKEVSOBGEOV-USHXRURQSA-N 2 1 379.523 3.920 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3Cc4cccc(F)c4C3)C[C@H]21 ZINC001171801015 905060161 /nfs/dbraw/zinc/06/01/61/905060161.db2.gz GAKOKEVSOBGEOV-USHXRURQSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3Cc4cccc(F)c4C3)C[C@H]21 ZINC001171801015 905060177 /nfs/dbraw/zinc/06/01/77/905060177.db2.gz GAKOKEVSOBGEOV-USHXRURQSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3Cc4cccc(F)c4C3)C[C@H]21 ZINC001171801015 905060195 /nfs/dbraw/zinc/06/01/95/905060195.db2.gz GAKOKEVSOBGEOV-USHXRURQSA-N 2 1 379.523 3.920 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCCN(C(=O)c3ccccc3)CC2)[nH+]1 ZINC001171907022 905137726 /nfs/dbraw/zinc/13/77/26/905137726.db2.gz OIZPVIAKDVQENQ-NRFANRHFSA-N 2 1 392.547 3.643 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171965926 905174748 /nfs/dbraw/zinc/17/47/48/905174748.db2.gz KCPLSWOJXPSXRM-HXUWFJFHSA-N 2 1 386.561 3.623 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171965926 905174755 /nfs/dbraw/zinc/17/47/55/905174755.db2.gz KCPLSWOJXPSXRM-HXUWFJFHSA-N 2 1 386.561 3.623 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCN(c4ccc(Br)cc4)CC3)C[C@@H]2C1 ZINC001171999749 905211848 /nfs/dbraw/zinc/21/18/48/905211848.db2.gz YGJVNDNIQJKLEM-CALCHBBNSA-N 2 1 392.385 3.692 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](C3CCN(c4ccc(Br)cc4)CC3)C[C@@H]2C1 ZINC001171999749 905211860 /nfs/dbraw/zinc/21/18/60/905211860.db2.gz YGJVNDNIQJKLEM-CALCHBBNSA-N 2 1 392.385 3.692 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCN(c4ccc(Br)cc4)CC3)C[C@@H]2C1 ZINC001171999749 905211874 /nfs/dbraw/zinc/21/18/74/905211874.db2.gz YGJVNDNIQJKLEM-CALCHBBNSA-N 2 1 392.385 3.692 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171979158 905228661 /nfs/dbraw/zinc/22/86/61/905228661.db2.gz CQDIDSOHWONQOZ-HXUWFJFHSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171979158 905228680 /nfs/dbraw/zinc/22/86/80/905228680.db2.gz CQDIDSOHWONQOZ-HXUWFJFHSA-N 2 1 387.568 3.886 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171985021 905241333 /nfs/dbraw/zinc/24/13/33/905241333.db2.gz ZZPQSHYJCGZKKU-JOCHJYFZSA-N 2 1 379.548 3.726 20 0 GHADMP COc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984606 905241448 /nfs/dbraw/zinc/24/14/48/905241448.db2.gz WKMGNUZKUGFLLG-FCHUYYIVSA-N 2 1 382.548 3.631 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CC[C@H]([NH+]4CCOCC4)CC2)C3)cc1 ZINC001172071660 905273598 /nfs/dbraw/zinc/27/35/98/905273598.db2.gz YCCPDBWFJMBWIF-CJFJMBEZSA-N 3 1 397.607 3.805 20 0 GHADMP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CC[C@H]([NH+]4CCOCC4)CC2)C3)cc1 ZINC001172071660 905273612 /nfs/dbraw/zinc/27/36/12/905273612.db2.gz YCCPDBWFJMBWIF-CJFJMBEZSA-N 2 1 397.607 3.805 20 0 GHADMP CCN1CC[C@]2(CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001172074284 905280174 /nfs/dbraw/zinc/28/01/74/905280174.db2.gz RUWJDDQXSGRMPP-KBOSCXGNSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@]2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001172074284 905280192 /nfs/dbraw/zinc/28/01/92/905280192.db2.gz RUWJDDQXSGRMPP-KBOSCXGNSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001172074284 905280206 /nfs/dbraw/zinc/28/02/06/905280206.db2.gz RUWJDDQXSGRMPP-KBOSCXGNSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001172074284 905280224 /nfs/dbraw/zinc/28/02/24/905280224.db2.gz RUWJDDQXSGRMPP-KBOSCXGNSA-N 2 1 395.591 3.907 20 0 GHADMP FC1(F)CC[NH+](C2CN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)CC1 ZINC001172073627 905280895 /nfs/dbraw/zinc/28/08/95/905280895.db2.gz BABYPYDSRQDIDH-WKCHPHFGSA-N 2 1 389.534 3.987 20 0 GHADMP FC1(F)CC[NH+](C2CN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)CC1 ZINC001172073627 905280907 /nfs/dbraw/zinc/28/09/07/905280907.db2.gz BABYPYDSRQDIDH-WKCHPHFGSA-N 2 1 389.534 3.987 20 0 GHADMP O=c1ccc2c([nH]1)CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)CC2 ZINC001172076958 905288745 /nfs/dbraw/zinc/28/87/45/905288745.db2.gz BXZIIYNCCMZROL-ZBYYUNFXSA-N 2 1 377.532 3.774 20 0 GHADMP O=c1ccc2c([nH]1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172076958 905288753 /nfs/dbraw/zinc/28/87/53/905288753.db2.gz BXZIIYNCCMZROL-ZBYYUNFXSA-N 2 1 377.532 3.774 20 0 GHADMP O=c1ccc2c([nH]1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172076958 905288767 /nfs/dbraw/zinc/28/87/67/905288767.db2.gz BXZIIYNCCMZROL-ZBYYUNFXSA-N 2 1 377.532 3.774 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090765 905313182 /nfs/dbraw/zinc/31/31/82/905313182.db2.gz WZVDXURMOJNQGO-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090765 905313190 /nfs/dbraw/zinc/31/31/90/905313190.db2.gz WZVDXURMOJNQGO-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090765 905313204 /nfs/dbraw/zinc/31/32/04/905313204.db2.gz WZVDXURMOJNQGO-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090765 905313208 /nfs/dbraw/zinc/31/32/08/905313208.db2.gz WZVDXURMOJNQGO-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001172064781 905329210 /nfs/dbraw/zinc/32/92/10/905329210.db2.gz FUSBCWJRXBYNAW-GIDFYXQGSA-N 2 1 394.559 3.910 20 0 GHADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001172064781 905329220 /nfs/dbraw/zinc/32/92/20/905329220.db2.gz FUSBCWJRXBYNAW-GIDFYXQGSA-N 2 1 394.559 3.910 20 0 GHADMP CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065270 905330392 /nfs/dbraw/zinc/33/03/92/905330392.db2.gz JUHAEKNSWDXZKI-YSFYHYPLSA-N 2 1 383.580 3.809 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CCCN(c4ccncn4)C2)C3)cc1 ZINC001172065302 905331848 /nfs/dbraw/zinc/33/18/48/905331848.db2.gz KGTHOWFFRWYKNZ-GPJHCHHRSA-N 2 1 391.563 3.621 20 0 GHADMP COC(=O)c1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172067798 905334028 /nfs/dbraw/zinc/33/40/28/905334028.db2.gz SOHMEQCQTVJJGV-DKUWSORSSA-N 2 1 379.504 3.544 20 0 GHADMP COC(=O)c1cncc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172067798 905334045 /nfs/dbraw/zinc/33/40/45/905334045.db2.gz SOHMEQCQTVJJGV-DKUWSORSSA-N 2 1 379.504 3.544 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127950 905340551 /nfs/dbraw/zinc/34/05/51/905340551.db2.gz MFEUOGRXPMTRPD-ACDBMABISA-N 2 1 399.579 3.683 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127950 905340573 /nfs/dbraw/zinc/34/05/73/905340573.db2.gz MFEUOGRXPMTRPD-ACDBMABISA-N 2 1 399.579 3.683 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(c1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1)C2 ZINC001172129953 905344098 /nfs/dbraw/zinc/34/40/98/905344098.db2.gz FQRSOJKFHNWMFD-BCDXTJNWSA-N 2 1 382.474 3.674 20 0 GHADMP CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172117993 905370541 /nfs/dbraw/zinc/37/05/41/905370541.db2.gz TZDZBWCKEKYNBA-KAOXLYBCSA-N 2 1 395.591 3.872 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H](C)C1 ZINC000190006947 905479238 /nfs/dbraw/zinc/47/92/38/905479238.db2.gz NKQIHRULUSSMOK-VGOFRKELSA-N 2 1 398.547 3.508 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H](C)C1 ZINC000190006947 905479244 /nfs/dbraw/zinc/47/92/44/905479244.db2.gz NKQIHRULUSSMOK-VGOFRKELSA-N 2 1 398.547 3.508 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172335159 905501325 /nfs/dbraw/zinc/50/13/25/905501325.db2.gz FXZFBXYQBFPJPG-FUOIXIIKSA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172335159 905501341 /nfs/dbraw/zinc/50/13/41/905501341.db2.gz FXZFBXYQBFPJPG-FUOIXIIKSA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001172335159 905501355 /nfs/dbraw/zinc/50/13/55/905501355.db2.gz FXZFBXYQBFPJPG-FUOIXIIKSA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001172335159 905501368 /nfs/dbraw/zinc/50/13/68/905501368.db2.gz FXZFBXYQBFPJPG-FUOIXIIKSA-N 2 1 388.600 3.652 20 0 GHADMP CC(C)OCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001172451140 905568339 /nfs/dbraw/zinc/56/83/39/905568339.db2.gz GQCMBKIDVSBCCT-UEVCKROQSA-N 2 1 378.601 3.651 20 0 GHADMP CC(C)OCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172451140 905568353 /nfs/dbraw/zinc/56/83/53/905568353.db2.gz GQCMBKIDVSBCCT-UEVCKROQSA-N 2 1 378.601 3.651 20 0 GHADMP CC(C)OCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172451140 905568367 /nfs/dbraw/zinc/56/83/67/905568367.db2.gz GQCMBKIDVSBCCT-UEVCKROQSA-N 2 1 378.601 3.651 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172523193 905582993 /nfs/dbraw/zinc/58/29/93/905582993.db2.gz OTZBFSVNJVYKEL-FOZARLDVSA-N 2 1 395.591 3.922 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172523193 905583006 /nfs/dbraw/zinc/58/30/06/905583006.db2.gz OTZBFSVNJVYKEL-FOZARLDVSA-N 2 1 395.591 3.922 20 0 GHADMP CC[NH+](CC)CCN1CC[NH+]([C@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172570570 905632507 /nfs/dbraw/zinc/63/25/07/905632507.db2.gz JNKILOPSEOECGH-MRXNPFEDSA-N 2 1 387.946 3.899 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172584375 905684311 /nfs/dbraw/zinc/68/43/11/905684311.db2.gz NGNXXLFXFWMQLB-SJLPKXTDSA-N 2 1 379.520 3.902 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001172626109 905731275 /nfs/dbraw/zinc/73/12/75/905731275.db2.gz ZDQVCFGGGCTNPR-XLIONFOSSA-N 2 1 378.944 3.968 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001172626109 905731281 /nfs/dbraw/zinc/73/12/81/905731281.db2.gz ZDQVCFGGGCTNPR-XLIONFOSSA-N 2 1 378.944 3.968 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001172626107 905731373 /nfs/dbraw/zinc/73/13/73/905731373.db2.gz ZDQVCFGGGCTNPR-PXNSSMCTSA-N 2 1 378.944 3.968 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001172626107 905731376 /nfs/dbraw/zinc/73/13/76/905731376.db2.gz ZDQVCFGGGCTNPR-PXNSSMCTSA-N 2 1 378.944 3.968 20 0 GHADMP COC(=O)N1CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001172737172 905781486 /nfs/dbraw/zinc/78/14/86/905781486.db2.gz HWHGEJXDBPUUTO-DBVUQKKJSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)N1CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001172737172 905781510 /nfs/dbraw/zinc/78/15/10/905781510.db2.gz HWHGEJXDBPUUTO-DBVUQKKJSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)N1CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)CC1 ZINC001172737172 905781526 /nfs/dbraw/zinc/78/15/26/905781526.db2.gz HWHGEJXDBPUUTO-DBVUQKKJSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001172785797 905827945 /nfs/dbraw/zinc/82/79/45/905827945.db2.gz IZOZIANROVMJSU-SFTDATJTSA-N 2 1 399.579 3.880 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001172785576 905828215 /nfs/dbraw/zinc/82/82/15/905828215.db2.gz CYSCLGDKOAQARL-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001172785576 905828222 /nfs/dbraw/zinc/82/82/22/905828222.db2.gz CYSCLGDKOAQARL-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001172785576 905828235 /nfs/dbraw/zinc/82/82/35/905828235.db2.gz CYSCLGDKOAQARL-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001172785576 905828251 /nfs/dbraw/zinc/82/82/51/905828251.db2.gz CYSCLGDKOAQARL-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)[nH+]1 ZINC001172815787 905847472 /nfs/dbraw/zinc/84/74/72/905847472.db2.gz QRFWAUSFWBCDFM-YOFSQIOKSA-N 2 1 398.551 3.655 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CCc4ccc(C)cc4C3)CC2)CC1 ZINC001172828335 905858443 /nfs/dbraw/zinc/85/84/43/905858443.db2.gz STZVPKIHPBLGHN-QHCPKHFHSA-N 2 1 384.564 3.592 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172856656 905912398 /nfs/dbraw/zinc/91/23/98/905912398.db2.gz LSYSZKSWYNWWKU-CQSZACIVSA-N 2 1 399.938 3.728 20 0 GHADMP CCC(CC)[N@H+](C1CCN(CC(=O)OC(C)(C)C)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172888212 905975647 /nfs/dbraw/zinc/97/56/47/905975647.db2.gz LIDBSEABIVLDNS-UAPYVXQJSA-N 2 1 381.605 3.553 20 0 GHADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000628158016 905986662 /nfs/dbraw/zinc/98/66/62/905986662.db2.gz CKRKNUVXOCDCAI-NRFANRHFSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000628158016 905986673 /nfs/dbraw/zinc/98/66/73/905986673.db2.gz CKRKNUVXOCDCAI-NRFANRHFSA-N 2 1 389.971 3.543 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067078 906147037 /nfs/dbraw/zinc/14/70/37/906147037.db2.gz IDRMVXALUUTFBA-AEFFLSMTSA-N 2 1 388.556 3.717 20 0 GHADMP CC[NH+](CC)C1CCC([NH2+]C2CC[NH+](CCc3ccc(OC)cc3)CC2)CC1 ZINC001173107448 906192416 /nfs/dbraw/zinc/19/24/16/906192416.db2.gz RSATYKMVXQSKHZ-UHFFFAOYSA-N 3 1 387.612 3.945 20 0 GHADMP CCOC[C@@H]1C[N@@H+](C2CCC([NH+](CC)CC)CC2)Cc2nn(CC3CC3)cc21 ZINC001173112192 906201530 /nfs/dbraw/zinc/20/15/30/906201530.db2.gz XWAHRZSAZUCRNO-MWXLCCTBSA-N 2 1 388.600 3.882 20 0 GHADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2nn(CC3CC3)cc21 ZINC001173112192 906201544 /nfs/dbraw/zinc/20/15/44/906201544.db2.gz XWAHRZSAZUCRNO-MWXLCCTBSA-N 2 1 388.600 3.882 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCc4ncsc4C2)CC3)c1 ZINC001173137546 906217790 /nfs/dbraw/zinc/21/77/90/906217790.db2.gz VEOLKNXMVYBPCH-LJQANCHMSA-N 2 1 397.588 3.997 20 0 GHADMP c1ccc(OC2CCC([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001173197536 906283690 /nfs/dbraw/zinc/28/36/90/906283690.db2.gz HFCYLUCMVFCGAA-UHFFFAOYSA-N 2 1 380.532 3.999 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccc(CC)cc3)CC2)C1 ZINC001173239789 906351850 /nfs/dbraw/zinc/35/18/50/906351850.db2.gz JXZKDQYKVBHZMQ-UGKGYDQZSA-N 2 1 386.580 3.920 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccc(CC)cc3)CC2)C1 ZINC001173239789 906351858 /nfs/dbraw/zinc/35/18/58/906351858.db2.gz JXZKDQYKVBHZMQ-UGKGYDQZSA-N 2 1 386.580 3.920 20 0 GHADMP CC[N@H+]1CC[C@H](n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)C1 ZINC001173361153 906394319 /nfs/dbraw/zinc/39/43/19/906394319.db2.gz SGDRBPINJILZAP-QAPCUYQASA-N 2 1 377.492 3.527 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566770 906874203 /nfs/dbraw/zinc/87/42/03/906874203.db2.gz OBTFGIWQPUYBQK-QWRGUYRKSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566770 906874214 /nfs/dbraw/zinc/87/42/14/906874214.db2.gz OBTFGIWQPUYBQK-QWRGUYRKSA-N 2 1 398.256 3.781 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000629602911 906896484 /nfs/dbraw/zinc/89/64/84/906896484.db2.gz XJACDKDJPMVEEU-QHCPKHFHSA-N 2 1 389.499 3.762 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000629602911 906896505 /nfs/dbraw/zinc/89/65/05/906896505.db2.gz XJACDKDJPMVEEU-QHCPKHFHSA-N 2 1 389.499 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000779478585 907295336 /nfs/dbraw/zinc/29/53/36/907295336.db2.gz QFRBNAAJSSUMNA-NQIIRXRSSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000779478585 907295354 /nfs/dbraw/zinc/29/53/54/907295354.db2.gz QFRBNAAJSSUMNA-NQIIRXRSSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000779478585 907295368 /nfs/dbraw/zinc/29/53/68/907295368.db2.gz QFRBNAAJSSUMNA-NQIIRXRSSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000779478585 907295381 /nfs/dbraw/zinc/29/53/81/907295381.db2.gz QFRBNAAJSSUMNA-NQIIRXRSSA-N 2 1 387.568 3.838 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185544784 907789035 /nfs/dbraw/zinc/78/90/35/907789035.db2.gz ZJZPFWNJGSJQNQ-RTWAWAEBSA-N 2 1 389.565 3.655 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc3ccncc3s2)[C@H](c2ccccc2)C1 ZINC001177222755 908471880 /nfs/dbraw/zinc/47/18/80/908471880.db2.gz OJFPFSHHJYAREU-NRFANRHFSA-N 2 1 380.561 3.765 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3-c3ccccc3)c2)CCO1 ZINC001177454800 908576404 /nfs/dbraw/zinc/57/64/04/908576404.db2.gz XUYIFYRHIPEVKH-LJQANCHMSA-N 2 1 390.531 3.598 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3-c3ccccc3)c2)CCO1 ZINC001177454800 908576411 /nfs/dbraw/zinc/57/64/11/908576411.db2.gz XUYIFYRHIPEVKH-LJQANCHMSA-N 2 1 390.531 3.598 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000191535142 908639230 /nfs/dbraw/zinc/63/92/30/908639230.db2.gz HJIKSFYZDKAHAD-UFYCRDLUSA-N 2 1 376.566 3.590 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC001177736904 908732391 /nfs/dbraw/zinc/73/23/91/908732391.db2.gz FOJQDZNESCYFCS-UHFFFAOYSA-N 2 1 399.554 3.768 20 0 GHADMP [NH3+]C1(Cc2nc(-c3ccc(F)c(F)c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634553935 908763861 /nfs/dbraw/zinc/76/38/61/908763861.db2.gz LEHLRIAZYKNJPP-UHFFFAOYSA-N 2 1 384.430 3.551 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001177843767 908777269 /nfs/dbraw/zinc/77/72/69/908777269.db2.gz GKDUNLAFDBLOAO-YJBOKZPZSA-N 2 1 384.948 3.584 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001177843767 908777272 /nfs/dbraw/zinc/77/72/72/908777272.db2.gz GKDUNLAFDBLOAO-YJBOKZPZSA-N 2 1 384.948 3.584 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]1c1cccs1 ZINC001177920379 908803803 /nfs/dbraw/zinc/80/38/03/908803803.db2.gz SWQGBCDVXNBHBD-UZLBHIALSA-N 2 1 387.549 3.618 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]1c1cccs1 ZINC001177920379 908803817 /nfs/dbraw/zinc/80/38/17/908803817.db2.gz SWQGBCDVXNBHBD-UZLBHIALSA-N 2 1 387.549 3.618 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3CCc4nccn4C3)cccc2[C@H](c2ccccc2)C1 ZINC001178118257 908888950 /nfs/dbraw/zinc/88/89/50/908888950.db2.gz RKYDMPKYUYIDOS-QUCCMNQESA-N 2 1 386.499 3.662 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000194069595 908914380 /nfs/dbraw/zinc/91/43/80/908914380.db2.gz RCAOAFVSEHUZFS-JOCHJYFZSA-N 2 1 388.939 3.774 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)s2)cc1 ZINC001178463588 909065680 /nfs/dbraw/zinc/06/56/80/909065680.db2.gz RPUHNSXCWWZOOF-NRFANRHFSA-N 2 1 393.556 3.975 20 0 GHADMP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001178728605 909223437 /nfs/dbraw/zinc/22/34/37/909223437.db2.gz HTLQGCFNYYLJJI-QIJUGHKUSA-N 2 1 377.532 3.890 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000266614794 909233147 /nfs/dbraw/zinc/23/31/47/909233147.db2.gz UPPHMNDXIGXZFC-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000266614794 909233166 /nfs/dbraw/zinc/23/31/66/909233166.db2.gz UPPHMNDXIGXZFC-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000266614794 909233182 /nfs/dbraw/zinc/23/31/82/909233182.db2.gz UPPHMNDXIGXZFC-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001178855066 909263922 /nfs/dbraw/zinc/26/39/22/909263922.db2.gz CJSKQQZNJGXRRC-OALUTQOASA-N 2 1 397.604 3.645 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001178855066 909263936 /nfs/dbraw/zinc/26/39/36/909263936.db2.gz CJSKQQZNJGXRRC-OALUTQOASA-N 2 1 397.604 3.645 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](c2ccccc2)C1 ZINC001179015616 909357099 /nfs/dbraw/zinc/35/70/99/909357099.db2.gz HBYUNIYVWVZUKZ-MOPGFXCFSA-N 2 1 386.923 3.936 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000636910443 909662494 /nfs/dbraw/zinc/66/24/94/909662494.db2.gz RHENXBNZPKIAMN-QGZVFWFLSA-N 2 1 383.540 3.758 20 0 GHADMP CC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC2(CC1)OCCO2 ZINC001179717685 909677459 /nfs/dbraw/zinc/67/74/59/909677459.db2.gz XHPVNHSYFIGZBJ-UHFFFAOYSA-N 2 1 390.543 3.746 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268118569 909772910 /nfs/dbraw/zinc/77/29/10/909772910.db2.gz NJKDOTRBFDHNMJ-YLJYHZDGSA-N 2 1 385.577 3.935 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001179924065 909810041 /nfs/dbraw/zinc/81/00/41/909810041.db2.gz BPRCHFMBEZHLSZ-KKLQWCBXSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001179924065 909810054 /nfs/dbraw/zinc/81/00/54/909810054.db2.gz BPRCHFMBEZHLSZ-KKLQWCBXSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001179924065 909810071 /nfs/dbraw/zinc/81/00/71/909810071.db2.gz BPRCHFMBEZHLSZ-KKLQWCBXSA-N 2 1 391.600 3.972 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001180081416 909935134 /nfs/dbraw/zinc/93/51/34/909935134.db2.gz KCTGCRRAAXCUDF-INIZCTEOSA-N 2 1 393.597 3.815 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001180081416 909935141 /nfs/dbraw/zinc/93/51/41/909935141.db2.gz KCTGCRRAAXCUDF-INIZCTEOSA-N 2 1 393.597 3.815 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001180081416 909935149 /nfs/dbraw/zinc/93/51/49/909935149.db2.gz KCTGCRRAAXCUDF-INIZCTEOSA-N 2 1 393.597 3.815 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001180081416 909935155 /nfs/dbraw/zinc/93/51/55/909935155.db2.gz KCTGCRRAAXCUDF-INIZCTEOSA-N 2 1 393.597 3.815 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000268877749 910056462 /nfs/dbraw/zinc/05/64/62/910056462.db2.gz ZEVMPIMCZXGBTE-KRWDZBQOSA-N 2 1 389.503 3.531 20 0 GHADMP COC(=O)c1[nH]c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C ZINC001180302016 910058033 /nfs/dbraw/zinc/05/80/33/910058033.db2.gz SDRTWQAHRPIAHN-HLAWJBBLSA-N 2 1 381.520 3.500 20 0 GHADMP COCC(=O)Nc1cccc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638331668 910120464 /nfs/dbraw/zinc/12/04/64/910120464.db2.gz JPKFZHHDMMGGTM-REWPJTCUSA-N 2 1 393.531 3.729 20 0 GHADMP COCC(=O)Nc1cccc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638331668 910120470 /nfs/dbraw/zinc/12/04/70/910120470.db2.gz JPKFZHHDMMGGTM-REWPJTCUSA-N 2 1 393.531 3.729 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429110 910136051 /nfs/dbraw/zinc/13/60/51/910136051.db2.gz AWIUDGCVSDHLBN-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429110 910136057 /nfs/dbraw/zinc/13/60/57/910136057.db2.gz AWIUDGCVSDHLBN-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429110 910136067 /nfs/dbraw/zinc/13/60/67/910136067.db2.gz AWIUDGCVSDHLBN-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000246210933 910171691 /nfs/dbraw/zinc/17/16/91/910171691.db2.gz CAGJEIZSZNWCMI-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000246210933 910171700 /nfs/dbraw/zinc/17/17/00/910171700.db2.gz CAGJEIZSZNWCMI-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000246210933 910171703 /nfs/dbraw/zinc/17/17/03/910171703.db2.gz CAGJEIZSZNWCMI-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000246210933 910171716 /nfs/dbraw/zinc/17/17/16/910171716.db2.gz CAGJEIZSZNWCMI-QFBILLFUSA-N 2 1 389.341 3.686 20 0 GHADMP Cc1c[nH+]cn1C1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000366393896 921564552 /nfs/dbraw/zinc/56/45/52/921564552.db2.gz FFRLVDPKOORMSH-UHFFFAOYSA-N 2 1 380.536 3.657 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC12CCOCC2 ZINC000639142382 910325965 /nfs/dbraw/zinc/32/59/65/910325965.db2.gz BIPRCDJKKRUXRS-PABCKOPISA-N 2 1 384.564 3.512 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC12CCOCC2 ZINC000639142382 910325978 /nfs/dbraw/zinc/32/59/78/910325978.db2.gz BIPRCDJKKRUXRS-PABCKOPISA-N 2 1 384.564 3.512 20 0 GHADMP CN(CC[NH+]1CCCC1)C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180816415 910386494 /nfs/dbraw/zinc/38/64/94/910386494.db2.gz HLDXJLBQNQQXQU-UHFFFAOYSA-N 2 1 398.378 3.760 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(F)cn1 ZINC000271309636 910856803 /nfs/dbraw/zinc/85/68/03/910856803.db2.gz IGXRVSOABNPHRF-QGZVFWFLSA-N 2 1 387.499 3.561 20 0 GHADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000271341061 910867326 /nfs/dbraw/zinc/86/73/26/910867326.db2.gz CDVIHPZMEVSWSA-LJQANCHMSA-N 2 1 383.536 3.730 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000271464970 910913945 /nfs/dbraw/zinc/91/39/45/910913945.db2.gz GNJRTDTXXZNXNR-IGNZVWTISA-N 2 1 385.321 3.617 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(Br)ncc1F ZINC000273860386 911064789 /nfs/dbraw/zinc/06/47/89/911064789.db2.gz MADMNTKGXZMQJL-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001181977175 911106339 /nfs/dbraw/zinc/10/63/39/911106339.db2.gz KSYCXBBBAXQMAP-QGZVFWFLSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276521 911442454 /nfs/dbraw/zinc/44/24/54/911442454.db2.gz WWIKADUWMHTBSF-BHIFYINESA-N 2 1 383.580 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276521 911442463 /nfs/dbraw/zinc/44/24/63/911442463.db2.gz WWIKADUWMHTBSF-BHIFYINESA-N 2 1 383.580 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276521 911442475 /nfs/dbraw/zinc/44/24/75/911442475.db2.gz WWIKADUWMHTBSF-BHIFYINESA-N 2 1 383.580 3.735 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000092295054 911471120 /nfs/dbraw/zinc/47/11/20/911471120.db2.gz BGYVKAIPZHVZCQ-JOCHJYFZSA-N 2 1 378.520 3.551 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000774389870 911732352 /nfs/dbraw/zinc/73/23/52/911732352.db2.gz CLAMFEXEPFCJQX-VABKMULXSA-N 2 1 384.564 3.810 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000285076062 912152730 /nfs/dbraw/zinc/15/27/30/912152730.db2.gz JJPPNXNRKRSEEZ-UGAUIIJPSA-N 2 1 382.548 3.504 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC001187129337 915043781 /nfs/dbraw/zinc/04/37/81/915043781.db2.gz XYILXHMTXRUHLO-UHFFFAOYSA-N 2 1 380.279 3.784 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCCOc1ccc(C)cc1 ZINC000647490818 915304001 /nfs/dbraw/zinc/30/40/01/915304001.db2.gz SFSZOGIQPHMVHF-FQEVSTJZSA-N 2 1 384.520 3.632 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCCOc1ccc(C)cc1 ZINC000647490818 915304024 /nfs/dbraw/zinc/30/40/24/915304024.db2.gz SFSZOGIQPHMVHF-FQEVSTJZSA-N 2 1 384.520 3.632 20 0 GHADMP Cc1cc(=O)oc2cc(OCC[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc12 ZINC000303918934 915308165 /nfs/dbraw/zinc/30/81/65/915308165.db2.gz SYQBUDYQWGRBEK-FQEVSTJZSA-N 2 1 398.547 3.924 20 0 GHADMP Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccc12 ZINC000303918934 915308188 /nfs/dbraw/zinc/30/81/88/915308188.db2.gz SYQBUDYQWGRBEK-FQEVSTJZSA-N 2 1 398.547 3.924 20 0 GHADMP CC(C)CN(C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000647918184 915439156 /nfs/dbraw/zinc/43/91/56/915439156.db2.gz TWPVVIPHXAEKNV-LJQANCHMSA-N 2 1 377.598 3.585 20 0 GHADMP CC(C)CN(C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000647918184 915439167 /nfs/dbraw/zinc/43/91/67/915439167.db2.gz TWPVVIPHXAEKNV-LJQANCHMSA-N 2 1 377.598 3.585 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975813 915457601 /nfs/dbraw/zinc/45/76/01/915457601.db2.gz GKZXLMDZKKHMCB-BBWFWOEESA-N 2 1 393.959 3.696 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976321 915459970 /nfs/dbraw/zinc/45/99/70/915459970.db2.gz NBKQEWIYVTWUOQ-AKHDSKFASA-N 2 1 375.582 3.512 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000648760578 915868054 /nfs/dbraw/zinc/86/80/54/915868054.db2.gz DOMKUVNXAUPRME-LJQANCHMSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000648824826 915894993 /nfs/dbraw/zinc/89/49/93/915894993.db2.gz IOSQYACLGATJQE-GBESFXJTSA-N 2 1 382.552 3.669 20 0 GHADMP CCCN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000648996897 915976725 /nfs/dbraw/zinc/97/67/25/915976725.db2.gz DDKWNNUROCBEJQ-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CCCN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H]1CC[NH+](C)C1 ZINC000648996897 915976733 /nfs/dbraw/zinc/97/67/33/915976733.db2.gz DDKWNNUROCBEJQ-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CCCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1CC[NH+](C)C1 ZINC000648996897 915976744 /nfs/dbraw/zinc/97/67/44/915976744.db2.gz DDKWNNUROCBEJQ-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)c2)cs1 ZINC000649420897 916149942 /nfs/dbraw/zinc/14/99/42/916149942.db2.gz CUMKNTGTQDAAIP-OAHLLOKOSA-N 2 1 384.549 3.521 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000294145574 916610380 /nfs/dbraw/zinc/61/03/80/916610380.db2.gz HSLDMVCXDSBHKP-KRWDZBQOSA-N 2 1 379.504 3.682 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000650705281 917241912 /nfs/dbraw/zinc/24/19/12/917241912.db2.gz BADGYJLRBKGNMY-WMTXJRDZSA-N 2 1 380.532 3.984 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000652363632 917882736 /nfs/dbraw/zinc/88/27/36/917882736.db2.gz JSYCRVYWUULXEG-FSPWUOQZSA-N 2 1 393.503 3.949 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000652363632 917882747 /nfs/dbraw/zinc/88/27/47/917882747.db2.gz JSYCRVYWUULXEG-FSPWUOQZSA-N 2 1 393.503 3.949 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000652363160 917883199 /nfs/dbraw/zinc/88/31/99/917883199.db2.gz ZLKIEXJHASGPLK-BHIYHBOVSA-N 2 1 386.458 3.835 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000652363634 917884461 /nfs/dbraw/zinc/88/44/61/917884461.db2.gz JSYCRVYWUULXEG-XWIAVFTESA-N 2 1 393.503 3.949 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000652363634 917884473 /nfs/dbraw/zinc/88/44/73/917884473.db2.gz JSYCRVYWUULXEG-XWIAVFTESA-N 2 1 393.503 3.949 20 0 GHADMP CCC[N@H+](Cc1nnc(-c2ccco2)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363289385 918035805 /nfs/dbraw/zinc/03/58/05/918035805.db2.gz UUJVZIRQRKHKDR-UHFFFAOYSA-N 2 1 396.495 3.617 20 0 GHADMP CCC[N@@H+](Cc1nnc(-c2ccco2)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363289385 918035821 /nfs/dbraw/zinc/03/58/21/918035821.db2.gz UUJVZIRQRKHKDR-UHFFFAOYSA-N 2 1 396.495 3.617 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000296346934 918164519 /nfs/dbraw/zinc/16/45/19/918164519.db2.gz HGAFQYCKNJPRRR-ICSRJNTNSA-N 2 1 385.939 3.859 20 0 GHADMP COc1cccc(-c2cc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)on2)c1 ZINC000902452852 922206097 /nfs/dbraw/zinc/20/60/97/922206097.db2.gz MSEAGIAOQASRBQ-FYYLOGMGSA-N 2 1 391.471 3.696 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(-c2ccccc2)n1C ZINC000902501128 922241340 /nfs/dbraw/zinc/24/13/40/922241340.db2.gz IPLHTDAJBZFZLY-REIDKSKDSA-N 2 1 388.515 3.994 20 0 GHADMP Cn1ccnc1[C@@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000368137425 922498305 /nfs/dbraw/zinc/49/83/05/922498305.db2.gz ZXRXZYFBBFXZET-CQSZACIVSA-N 2 1 386.297 3.562 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cnn(CC2CCC2)c1 ZINC000903076259 922752167 /nfs/dbraw/zinc/75/21/67/922752167.db2.gz MDCWJOKXKQYCAS-RBUKOAKNSA-N 2 1 382.552 3.755 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cnn(CC2CCC2)c1 ZINC000903076259 922752174 /nfs/dbraw/zinc/75/21/74/922752174.db2.gz MDCWJOKXKQYCAS-RBUKOAKNSA-N 2 1 382.552 3.755 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903175105 922832697 /nfs/dbraw/zinc/83/26/97/922832697.db2.gz PTMFDBNSSMPRAN-DQXYTYHJSA-N 2 1 375.557 3.523 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495933 923073662 /nfs/dbraw/zinc/07/36/62/923073662.db2.gz CJLYTGJZFXLMPM-GRYCIOLGSA-N 2 1 377.838 3.603 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000903762639 923266368 /nfs/dbraw/zinc/26/63/68/923266368.db2.gz BTCLTOUNUYGMFE-NYDSKATKSA-N 2 1 399.510 3.615 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OCc1ccccc1 ZINC000903956091 923435594 /nfs/dbraw/zinc/43/55/94/923435594.db2.gz GSKOUBRLJMPLNE-SFHVURJKSA-N 2 1 376.447 3.609 20 0 GHADMP Cc1ccc(F)c(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000370190535 923941471 /nfs/dbraw/zinc/94/14/71/923941471.db2.gz HYKOTVMUJVMMLQ-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000370367651 924057676 /nfs/dbraw/zinc/05/76/76/924057676.db2.gz QEFDEEBCAZEBBJ-CYFREDJKSA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000677128981 924251758 /nfs/dbraw/zinc/25/17/58/924251758.db2.gz HWFIAOYOZHPNKU-UGKGYDQZSA-N 2 1 391.559 3.969 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000370687983 924257462 /nfs/dbraw/zinc/25/74/62/924257462.db2.gz GRMFGLQKCXMJQI-AIZNXBIQSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3cccc(Br)c3)C2)CC1 ZINC000371331608 924530384 /nfs/dbraw/zinc/53/03/84/924530384.db2.gz JHLKPLGDUDOORD-XLIONFOSSA-N 2 1 394.401 3.653 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1)CC1CC1 ZINC000678354779 924739603 /nfs/dbraw/zinc/73/96/03/924739603.db2.gz MPMTUDADAINFTI-UHFFFAOYSA-N 2 1 381.568 3.816 20 0 GHADMP C(=C\C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1)\C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678636864 924856779 /nfs/dbraw/zinc/85/67/79/924856779.db2.gz NQOSSXIOYJJBRW-BSCZMTRDSA-N 2 1 390.612 3.820 20 0 GHADMP C(=C\C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)\C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678636864 924856781 /nfs/dbraw/zinc/85/67/81/924856781.db2.gz NQOSSXIOYJJBRW-BSCZMTRDSA-N 2 1 390.612 3.820 20 0 GHADMP C(=C\C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)\C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678636864 924856789 /nfs/dbraw/zinc/85/67/89/924856789.db2.gz NQOSSXIOYJJBRW-BSCZMTRDSA-N 2 1 390.612 3.820 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000678733684 924899970 /nfs/dbraw/zinc/89/99/70/924899970.db2.gz VKGBPJIZLAVZQV-CNNODRBYSA-N 2 1 395.547 3.515 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137347611 924903108 /nfs/dbraw/zinc/90/31/08/924903108.db2.gz QQULJSFGLFGARC-HXUWFJFHSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3n[nH]c4ccccc43)C[C@H]21 ZINC001137348556 924904500 /nfs/dbraw/zinc/90/45/00/924904500.db2.gz BQQTWDLUWINHII-XTQVGHSUSA-N 2 1 375.520 3.690 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@]3(CO)CCC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000679042402 925006919 /nfs/dbraw/zinc/00/69/19/925006919.db2.gz BFXGGLQFGTZLGY-IEZKXTBUSA-N 2 1 399.623 3.646 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(-n3ccnn3)cc1)CC2 ZINC001137362699 925015117 /nfs/dbraw/zinc/01/51/17/925015117.db2.gz UJMNNLALMRYSPH-QFIPXVFZSA-N 2 1 391.519 3.737 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065445 925114179 /nfs/dbraw/zinc/11/41/79/925114179.db2.gz DWKOSKTWIAFNMT-PVSQRLSRSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065445 925114186 /nfs/dbraw/zinc/11/41/86/925114186.db2.gz DWKOSKTWIAFNMT-PVSQRLSRSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065445 925114191 /nfs/dbraw/zinc/11/41/91/925114191.db2.gz DWKOSKTWIAFNMT-PVSQRLSRSA-N 2 1 399.623 3.909 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(N2CCCC2)n1 ZINC000679724527 925247977 /nfs/dbraw/zinc/24/79/77/925247977.db2.gz ZBFXPSKGGMWPQK-XXBNENTESA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(N2CCCC2)n1 ZINC000679724527 925247986 /nfs/dbraw/zinc/24/79/86/925247986.db2.gz ZBFXPSKGGMWPQK-XXBNENTESA-N 2 1 378.564 3.990 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000373141201 925884560 /nfs/dbraw/zinc/88/45/60/925884560.db2.gz UMFLXHPJGPMPAL-GHTZIAJQSA-N 2 1 376.504 3.779 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1cccs1 ZINC000373301498 926004133 /nfs/dbraw/zinc/00/41/33/926004133.db2.gz LEEDUFGXRZILGS-YJBOKZPZSA-N 2 1 376.595 3.846 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1cccs1 ZINC000373301498 926004139 /nfs/dbraw/zinc/00/41/39/926004139.db2.gz LEEDUFGXRZILGS-YJBOKZPZSA-N 2 1 376.595 3.846 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)C[C@H](C)O1 ZINC000411218058 926225124 /nfs/dbraw/zinc/22/51/24/926225124.db2.gz NGMMVJCKVULMDM-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP CC(C)c1occc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000373669702 926327422 /nfs/dbraw/zinc/32/74/22/926327422.db2.gz DCVIREIWVHLLEI-UHFFFAOYSA-N 2 1 375.557 3.671 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000411477870 926445581 /nfs/dbraw/zinc/44/55/81/926445581.db2.gz RHZTZBQEHPVNBE-OAHLLOKOSA-N 2 1 392.459 3.589 20 0 GHADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411874610 926864363 /nfs/dbraw/zinc/86/43/63/926864363.db2.gz OHERIGVCUGLFIM-NRFANRHFSA-N 2 1 385.577 3.808 20 0 GHADMP C[C@@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000374201207 926893586 /nfs/dbraw/zinc/89/35/86/926893586.db2.gz HRZDJELTCDYDIY-FQEVSTJZSA-N 2 1 385.596 3.835 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1Cl ZINC000412302514 927313288 /nfs/dbraw/zinc/31/32/88/927313288.db2.gz DIFGTIZLJBWOLY-QGZVFWFLSA-N 2 1 381.973 3.558 20 0 GHADMP FC(F)(F)Cn1ccnc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000374797287 927533216 /nfs/dbraw/zinc/53/32/16/927533216.db2.gz GVFDWOXSNIDSPB-NNZMDNLPSA-N 2 1 378.442 3.731 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000543932482 928580191 /nfs/dbraw/zinc/58/01/91/928580191.db2.gz KKERMPSPTXGIDP-SEJPIABJSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000467685261 929302017 /nfs/dbraw/zinc/30/20/17/929302017.db2.gz GIKKUUMJDBMJJS-YKSBVNFPSA-N 2 1 391.559 3.678 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000753536158 929395367 /nfs/dbraw/zinc/39/53/67/929395367.db2.gz PBIPQSYUFGSOCB-SFHVURJKSA-N 2 1 399.539 3.655 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000753543934 929402980 /nfs/dbraw/zinc/40/29/80/929402980.db2.gz FRDSPWJFWVUOEY-UXHICEINSA-N 2 1 397.523 3.550 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000753543934 929402982 /nfs/dbraw/zinc/40/29/82/929402982.db2.gz FRDSPWJFWVUOEY-UXHICEINSA-N 2 1 397.523 3.550 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cn(-c3ccccc3)nn2)C[N@H+]1Cc1ccccc1 ZINC000753850354 929562297 /nfs/dbraw/zinc/56/22/97/929562297.db2.gz KTVZKDDURMLPOE-FPOVZHCZSA-N 2 1 375.520 3.658 20 0 GHADMP C[N@@H+](CCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C1CCCCC1 ZINC000546015369 929774469 /nfs/dbraw/zinc/77/44/69/929774469.db2.gz SKPVNVQFEOUPHS-UHFFFAOYSA-N 2 1 398.595 3.812 20 0 GHADMP COCCn1cc2c(n1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000546268349 930006751 /nfs/dbraw/zinc/00/67/51/930006751.db2.gz WTGMKHSYFXPKRM-STZQEDGTSA-N 2 1 382.552 3.550 20 0 GHADMP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc(Br)c1OC(F)F ZINC000469852448 930207370 /nfs/dbraw/zinc/20/73/70/930207370.db2.gz PNKSUSULFAJQMW-CYBMUJFWSA-N 2 1 395.288 3.864 20 0 GHADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc(Br)c1OC(F)F ZINC000469852448 930207374 /nfs/dbraw/zinc/20/73/74/930207374.db2.gz PNKSUSULFAJQMW-CYBMUJFWSA-N 2 1 395.288 3.864 20 0 GHADMP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000547018984 930619274 /nfs/dbraw/zinc/61/92/74/930619274.db2.gz YIKFMJODHLSPQQ-GOSISDBHSA-N 2 1 386.511 3.635 20 0 GHADMP C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780878218 930624485 /nfs/dbraw/zinc/62/44/85/930624485.db2.gz IVSWTZITSWGFHQ-DZFGPLHGSA-N 2 1 387.568 3.790 20 0 GHADMP C[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000470668428 930804486 /nfs/dbraw/zinc/80/44/86/930804486.db2.gz OLHSYPDSVBPNHF-BASYENTBSA-N 2 1 385.474 3.686 20 0 GHADMP Cc1cn2c(n1)C[NH+](CCCCCCCCC[N@@H+]1CCn3cc(C)nc3C1)CC2 ZINC000781909523 931023609 /nfs/dbraw/zinc/02/36/09/931023609.db2.gz AQSYTNNBUYPPLQ-UHFFFAOYSA-N 2 1 398.599 3.759 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(-c2ccccc2)c1 ZINC000781922767 931030972 /nfs/dbraw/zinc/03/09/72/931030972.db2.gz KROIBYXYCAQHRG-YADARESESA-N 2 1 390.531 3.680 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000693672561 931200868 /nfs/dbraw/zinc/20/08/68/931200868.db2.gz QQIKTZOIJDXPOF-QYZOEREBSA-N 2 1 382.470 3.988 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C(C)(C)[C@H]21 ZINC000693678502 931201490 /nfs/dbraw/zinc/20/14/90/931201490.db2.gz MYPJOPQRHGZZHR-QRVBRYPASA-N 2 1 377.573 3.627 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000924633285 931456940 /nfs/dbraw/zinc/45/69/40/931456940.db2.gz IBBXXNIEYCXHBQ-MBJRSGMTSA-N 2 1 376.548 3.818 20 0 GHADMP CCC(CC)c1nnc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000557482006 931462178 /nfs/dbraw/zinc/46/21/78/931462178.db2.gz YPSKGWFHXFMGQF-UHFFFAOYSA-N 2 1 393.601 3.577 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnc(C(F)(F)F)c1 ZINC000557605355 931570082 /nfs/dbraw/zinc/57/00/82/931570082.db2.gz IIEGMDNGDUACLU-UHFFFAOYSA-N 2 1 384.490 3.733 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000557669712 931603343 /nfs/dbraw/zinc/60/33/43/931603343.db2.gz LCKFMDIUXONRHR-QHCPKHFHSA-N 2 1 399.623 3.814 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC[C@H]3CCCO)CC2)cs1 ZINC000925030868 931618476 /nfs/dbraw/zinc/61/84/76/931618476.db2.gz KRZKCONVBQGDTC-ICSRJNTNSA-N 2 1 379.614 3.838 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC2)cs1 ZINC000925032232 931618915 /nfs/dbraw/zinc/61/89/15/931618915.db2.gz SCSPNYDGLNWFQZ-RXVVDRJESA-N 2 1 377.598 3.712 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089596 931641133 /nfs/dbraw/zinc/64/11/33/931641133.db2.gz KNRMKTOZLFNJPF-DHSIGJKJSA-N 2 1 381.446 3.568 20 0 GHADMP O[C@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)COc1cccc2ccccc21 ZINC000557784767 931687133 /nfs/dbraw/zinc/68/71/33/931687133.db2.gz VGFGKJMRIKFAGU-HSZRJFAPSA-N 2 1 390.527 3.618 20 0 GHADMP O[C@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)COc1cccc2ccccc21 ZINC000557784767 931687137 /nfs/dbraw/zinc/68/71/37/931687137.db2.gz VGFGKJMRIKFAGU-HSZRJFAPSA-N 2 1 390.527 3.618 20 0 GHADMP O=C1C[C@@H](c2ccccc2F)CN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000783976177 931737588 /nfs/dbraw/zinc/73/75/88/931737588.db2.gz VFGZHUOMAWREPL-HXUWFJFHSA-N 2 1 387.543 3.687 20 0 GHADMP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000925513465 931808495 /nfs/dbraw/zinc/80/84/95/931808495.db2.gz GRGTYZWPFZXTGK-SFHLNBCPSA-N 2 1 386.561 3.675 20 0 GHADMP Cc1noc([C@H]2CCC[N@H+]2CCCCCC[NH+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000796695936 932033089 /nfs/dbraw/zinc/03/30/89/932033089.db2.gz QTAIYVAUFOXXTQ-HDICACEKSA-N 2 1 388.516 3.604 20 0 GHADMP Cc1noc([C@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000796695936 932033092 /nfs/dbraw/zinc/03/30/92/932033092.db2.gz QTAIYVAUFOXXTQ-HDICACEKSA-N 2 1 388.516 3.604 20 0 GHADMP Cc1noc([C@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000796695936 932033101 /nfs/dbraw/zinc/03/31/01/932033101.db2.gz QTAIYVAUFOXXTQ-HDICACEKSA-N 2 1 388.516 3.604 20 0 GHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796747334 932052313 /nfs/dbraw/zinc/05/23/13/932052313.db2.gz SENGOIWREUZOGA-MTQWCTHYSA-N 2 1 397.604 3.549 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796747334 932052321 /nfs/dbraw/zinc/05/23/21/932052321.db2.gz SENGOIWREUZOGA-MTQWCTHYSA-N 2 1 397.604 3.549 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124074 932056121 /nfs/dbraw/zinc/05/61/21/932056121.db2.gz FVMGIFCRJRVRQL-JPYJTQIMSA-N 2 1 382.548 3.722 20 0 GHADMP CC[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000558821325 932253503 /nfs/dbraw/zinc/25/35/03/932253503.db2.gz XONKSKMDZBBACU-DEOSSOPVSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)O2)CO1 ZINC000926880617 932335461 /nfs/dbraw/zinc/33/54/61/932335461.db2.gz YTBSLOIHSOBXBQ-OAQMQHDZSA-N 2 1 384.564 3.888 20 0 GHADMP CCC[NH+]1CCC([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 ZINC000798270326 932584996 /nfs/dbraw/zinc/58/49/96/932584996.db2.gz NECWCSKYJKLLBH-IBGZPJMESA-N 2 1 391.556 3.725 20 0 GHADMP CCn1nc(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1C ZINC000559331227 932605548 /nfs/dbraw/zinc/60/55/48/932605548.db2.gz HEUGAOHXOJMNAE-JOCHJYFZSA-N 2 1 396.579 3.538 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933993 932821803 /nfs/dbraw/zinc/82/18/03/932821803.db2.gz ALZOKYBVBBLMGI-DVECYGJZSA-N 2 1 392.547 3.779 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000798933995 932822247 /nfs/dbraw/zinc/82/22/47/932822247.db2.gz ALZOKYBVBBLMGI-YADARESESA-N 2 1 392.547 3.779 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(OC)c1OC ZINC000559751783 932838274 /nfs/dbraw/zinc/83/82/74/932838274.db2.gz MJVDGWGWCHEWJP-UXHICEINSA-N 2 1 384.520 3.680 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)c1OC ZINC000559751783 932838276 /nfs/dbraw/zinc/83/82/76/932838276.db2.gz MJVDGWGWCHEWJP-UXHICEINSA-N 2 1 384.520 3.680 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(N[C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)nc2)CC1 ZINC000559817663 932876310 /nfs/dbraw/zinc/87/63/10/932876310.db2.gz KZVKSMBMTKLQKX-REWPJTCUSA-N 3 1 393.579 3.859 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1OC ZINC000560521445 933308445 /nfs/dbraw/zinc/30/84/45/933308445.db2.gz QMRIELDBVQODTA-GOSISDBHSA-N 2 1 384.520 3.695 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000560536574 933321804 /nfs/dbraw/zinc/32/18/04/933321804.db2.gz NWUURFDHFBNHJS-VGSWGCGISA-N 2 1 393.531 3.969 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000560536574 933321814 /nfs/dbraw/zinc/32/18/14/933321814.db2.gz NWUURFDHFBNHJS-VGSWGCGISA-N 2 1 393.531 3.969 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC001116092022 933330203 /nfs/dbraw/zinc/33/02/03/933330203.db2.gz PEJIWRUUDFHFCT-QFIPXVFZSA-N 2 1 392.547 3.705 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001116375983 933518307 /nfs/dbraw/zinc/51/83/07/933518307.db2.gz OIBALGKCIMHYJB-SFTDATJTSA-N 2 1 390.547 3.526 20 0 GHADMP Cc1c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccc2c[nH+]cn21 ZINC001116530931 933613640 /nfs/dbraw/zinc/61/36/40/933613640.db2.gz SLWIRQDVIWGMMY-UHFFFAOYSA-N 2 1 376.504 3.627 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(-c4ccco4)cs3)CC2)CC1 ZINC000561154543 933922046 /nfs/dbraw/zinc/92/20/46/933922046.db2.gz DALOFCXEJTWYKR-UHFFFAOYSA-N 2 1 388.537 3.538 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117726873 933997816 /nfs/dbraw/zinc/99/78/16/933997816.db2.gz LXWHGQWMDSXCOD-WVUPVLJSSA-N 2 1 383.580 3.953 20 0 GHADMP c1cc(CC[NH+]2CCCC3(CCC[N@@H+](CCc4ccns4)C3)C2)sn1 ZINC000930512490 934078197 /nfs/dbraw/zinc/07/81/97/934078197.db2.gz SVFGKGXDZCXIOE-UHFFFAOYSA-N 2 1 376.595 3.563 20 0 GHADMP c1cc(CC[NH+]2CCCC3(CCC[N@H+](CCc4ccns4)C3)C2)sn1 ZINC000930512490 934078207 /nfs/dbraw/zinc/07/82/07/934078207.db2.gz SVFGKGXDZCXIOE-UHFFFAOYSA-N 2 1 376.595 3.563 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581049 934286526 /nfs/dbraw/zinc/28/65/26/934286526.db2.gz KSAOMJIOARPVQK-OXQOHEQNSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581049 934286534 /nfs/dbraw/zinc/28/65/34/934286534.db2.gz KSAOMJIOARPVQK-OXQOHEQNSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581049 934286541 /nfs/dbraw/zinc/28/65/41/934286541.db2.gz KSAOMJIOARPVQK-OXQOHEQNSA-N 2 1 392.975 3.506 20 0 GHADMP CC(=O)N1CCC([N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000931084557 934368077 /nfs/dbraw/zinc/36/80/77/934368077.db2.gz QHDYBFDQSIGHCL-HSZRJFAPSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000561976294 934602012 /nfs/dbraw/zinc/60/20/12/934602012.db2.gz AASWCFYLBLTMJW-INIZCTEOSA-N 2 1 382.390 3.510 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccn2ccnc2c1 ZINC000562083761 934681108 /nfs/dbraw/zinc/68/11/08/934681108.db2.gz HCSXODLWSGPIBB-LJQANCHMSA-N 2 1 377.492 3.757 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000562242198 934781536 /nfs/dbraw/zinc/78/15/36/934781536.db2.gz MIBLVZQNJKAEAP-FCHUYYIVSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000562242198 934781540 /nfs/dbraw/zinc/78/15/40/934781540.db2.gz MIBLVZQNJKAEAP-FCHUYYIVSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000562242198 934781546 /nfs/dbraw/zinc/78/15/46/934781546.db2.gz MIBLVZQNJKAEAP-FCHUYYIVSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(c1sccc1-c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001122153338 934833815 /nfs/dbraw/zinc/83/38/15/934833815.db2.gz LXUHWWDXJTWVKS-KDURUIRLSA-N 2 1 399.535 3.595 20 0 GHADMP O=C(c1sccc1-c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122153338 934833816 /nfs/dbraw/zinc/83/38/16/934833816.db2.gz LXUHWWDXJTWVKS-KDURUIRLSA-N 2 1 399.535 3.595 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)nc1)CC2 ZINC001137738210 935760062 /nfs/dbraw/zinc/76/00/62/935760062.db2.gz PHXMGQCYXZXOMR-KRWDZBQOSA-N 2 1 375.513 3.538 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3C)CC2)CC1 ZINC000830368455 935936487 /nfs/dbraw/zinc/93/64/87/935936487.db2.gz UXXQKLKMGFVRMP-KRWDZBQOSA-N 2 1 375.532 3.508 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001220702701 1032071815 /nfs/dbraw/zinc/07/18/15/1032071815.db2.gz YVYYQWHQZDBHRO-JOCHJYFZSA-N 2 1 392.632 3.842 20 0 GHADMP COCC[N@H+]1CC[C@@H](Nc2ccc(C[NH+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926547 1015225346 /nfs/dbraw/zinc/22/53/46/1015225346.db2.gz CASHICCFCYNUQO-DHIUTWEWSA-N 2 1 389.584 3.599 20 0 GHADMP COCC[NH+]1CC[C@@H](Nc2ccc(C[N@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926547 1015225353 /nfs/dbraw/zinc/22/53/53/1015225353.db2.gz CASHICCFCYNUQO-DHIUTWEWSA-N 2 1 389.584 3.599 20 0 GHADMP COCC[NH+]1CC[C@@H](Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926547 1015225359 /nfs/dbraw/zinc/22/53/59/1015225359.db2.gz CASHICCFCYNUQO-DHIUTWEWSA-N 2 1 389.584 3.599 20 0 GHADMP Cc1cc(Br)cc2cc([C@H]([NH2+]C[C@]3(O)CC[N@H+](C)C3)C(C)C)oc21 ZINC000545159682 1015595634 /nfs/dbraw/zinc/59/56/34/1015595634.db2.gz YAGTWLQFJCSAPV-IEBWSBKVSA-N 2 1 395.341 3.857 20 0 GHADMP Cc1cc(Br)cc2cc([C@H]([NH2+]C[C@]3(O)CC[N@@H+](C)C3)C(C)C)oc21 ZINC000545159682 1015595643 /nfs/dbraw/zinc/59/56/43/1015595643.db2.gz YAGTWLQFJCSAPV-IEBWSBKVSA-N 2 1 395.341 3.857 20 0 GHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468512813 1015766508 /nfs/dbraw/zinc/76/65/08/1015766508.db2.gz YLEMNOHFVJKTOV-IRLDBZIGSA-N 2 1 387.568 3.796 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001220883583 1032172944 /nfs/dbraw/zinc/17/29/44/1032172944.db2.gz SPMBOBCHEIYLRO-NRFANRHFSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220883583 1032172952 /nfs/dbraw/zinc/17/29/52/1032172952.db2.gz SPMBOBCHEIYLRO-NRFANRHFSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220883583 1032172970 /nfs/dbraw/zinc/17/29/70/1032172970.db2.gz SPMBOBCHEIYLRO-NRFANRHFSA-N 2 1 386.584 3.733 20 0 GHADMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1csc2ccccc12 ZINC001220918744 1032190563 /nfs/dbraw/zinc/19/05/63/1032190563.db2.gz FBFAFCMIQIYOSI-ZWKOTPCHSA-N 2 1 385.577 3.684 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001221071152 1032266369 /nfs/dbraw/zinc/26/63/69/1032266369.db2.gz KHPIGPDYFDWFIQ-RTBURBONSA-N 2 1 392.613 3.645 20 0 GHADMP [NH3+][C@H]1CCC[C@H](Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001154985903 1032368776 /nfs/dbraw/zinc/36/87/76/1032368776.db2.gz DYLHXJXAYYTOEN-GJZGRUSLSA-N 2 1 385.581 3.848 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC001221435452 1032414505 /nfs/dbraw/zinc/41/45/05/1032414505.db2.gz QVRNWOZPPKFSDH-KCZVDYSFSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001221435452 1032414511 /nfs/dbraw/zinc/41/45/11/1032414511.db2.gz QVRNWOZPPKFSDH-KCZVDYSFSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001221435452 1032414515 /nfs/dbraw/zinc/41/45/15/1032414515.db2.gz QVRNWOZPPKFSDH-KCZVDYSFSA-N 2 1 388.600 3.563 20 0 GHADMP CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227447854 1032423881 /nfs/dbraw/zinc/42/38/81/1032423881.db2.gz WIPNAQIAXPRQSN-RTWAWAEBSA-N 2 1 388.600 3.659 20 0 GHADMP Fc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(Cl)c1 ZINC001155357772 1032516332 /nfs/dbraw/zinc/51/63/32/1032516332.db2.gz JWXNMJLKLBYCKT-QGZVFWFLSA-N 2 1 388.918 3.788 20 0 GHADMP Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1Cl ZINC001155364474 1032520116 /nfs/dbraw/zinc/52/01/16/1032520116.db2.gz RJVXNDNAESCHRR-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C2)C1 ZINC001155381189 1032526307 /nfs/dbraw/zinc/52/63/07/1032526307.db2.gz BIHIVOAKJWIEGX-QHCPKHFHSA-N 2 1 399.542 3.670 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC001221913990 1032571782 /nfs/dbraw/zinc/57/17/82/1032571782.db2.gz YEXBPVMKOPDWDA-YLJYHZDGSA-N 2 1 392.563 3.628 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643686 1032619327 /nfs/dbraw/zinc/61/93/27/1032619327.db2.gz SGHOWRUAAYWGHT-IFMALSPDSA-N 2 1 399.966 3.971 20 0 GHADMP COc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204268244 1032711557 /nfs/dbraw/zinc/71/15/57/1032711557.db2.gz GZRSQAVBKVCJHM-NRFANRHFSA-N 2 1 384.520 3.679 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000560928872 1017754085 /nfs/dbraw/zinc/75/40/85/1017754085.db2.gz UNSTZLNVJHZFNK-QGZVFWFLSA-N 2 1 394.401 3.733 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000930346428 1017823814 /nfs/dbraw/zinc/82/38/14/1017823814.db2.gz DYQUPKZFYNASMK-SMIHKQSGSA-N 2 1 396.575 3.751 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000930346428 1017823832 /nfs/dbraw/zinc/82/38/32/1017823832.db2.gz DYQUPKZFYNASMK-SMIHKQSGSA-N 2 1 396.575 3.751 20 0 GHADMP CC[N@H+]1CC[C@H](Nc2cc(NC(=O)C[NH+]3CCCC[C@@H]3C)ccc2F)[C@H](C)C1 ZINC000561887733 1017969483 /nfs/dbraw/zinc/96/94/83/1017969483.db2.gz MATKJABBIIXWDS-UWVAXJGDSA-N 2 1 390.547 3.781 20 0 GHADMP CC[NH+]1CC[C@H](Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)[C@H](C)C1 ZINC000561887733 1017969488 /nfs/dbraw/zinc/96/94/88/1017969488.db2.gz MATKJABBIIXWDS-UWVAXJGDSA-N 2 1 390.547 3.781 20 0 GHADMP CC[NH+]1CC[C@H](Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)[C@H](C)C1 ZINC000561887733 1017969490 /nfs/dbraw/zinc/96/94/90/1017969490.db2.gz MATKJABBIIXWDS-UWVAXJGDSA-N 2 1 390.547 3.781 20 0 GHADMP C[NH+](C)CC1(O)CC[NH+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000931480367 1017988545 /nfs/dbraw/zinc/98/85/45/1017988545.db2.gz VOOXZDMOBPXANG-UHFFFAOYSA-N 2 1 384.307 3.537 20 0 GHADMP [NH3+]C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCCC1 ZINC000562800536 1018657138 /nfs/dbraw/zinc/65/71/38/1018657138.db2.gz AMFVWSQEXNYMTE-SEJPIABJSA-N 2 1 384.568 3.533 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000562836864 1018696406 /nfs/dbraw/zinc/69/64/06/1018696406.db2.gz ADUTUOGPJQKHJY-SFHVURJKSA-N 2 1 384.549 3.521 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(SCC[NH+]3CCCCC3)cc1)C2 ZINC000564731648 1019104627 /nfs/dbraw/zinc/10/46/27/1019104627.db2.gz UIIXIPCEEVNNLO-SFHVURJKSA-N 2 1 398.576 3.971 20 0 GHADMP Cc1csc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)n1 ZINC001204375893 1032814935 /nfs/dbraw/zinc/81/49/35/1032814935.db2.gz BXRASUJMOVQNCC-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1csc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)n1 ZINC001204375893 1032814949 /nfs/dbraw/zinc/81/49/49/1032814949.db2.gz BXRASUJMOVQNCC-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000568627454 1019430657 /nfs/dbraw/zinc/43/06/57/1019430657.db2.gz AHJGUJKMOBSUQZ-RBBKRZOGSA-N 2 1 393.510 3.579 20 0 GHADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000575401866 1019938204 /nfs/dbraw/zinc/93/82/04/1019938204.db2.gz QREJRQGYGZGBEW-FCEWJHQRSA-N 2 1 396.362 3.588 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(CSC)c3)CC2)CC1 ZINC000578081343 1020320570 /nfs/dbraw/zinc/32/05/70/1020320570.db2.gz SITOXQNNUMQTNR-UHFFFAOYSA-N 2 1 375.582 3.684 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779057476 1020342714 /nfs/dbraw/zinc/34/27/14/1020342714.db2.gz JHQSBGHIKMAKLT-HMXCVIKNSA-N 2 1 387.568 3.711 20 0 GHADMP CCC[C@@]1(CO)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@](CO)(CCC)C2)C1 ZINC000579036551 1020382342 /nfs/dbraw/zinc/38/23/42/1020382342.db2.gz ZQJYIJGQCVWJEK-DNQXCXABSA-N 2 1 388.596 3.656 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc2)[nH]1 ZINC000579593451 1020425320 /nfs/dbraw/zinc/42/53/20/1020425320.db2.gz KNJBVMAYGQDGCU-YADHBBJMSA-N 2 1 387.531 3.723 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc2)[nH]1 ZINC000579593451 1020425326 /nfs/dbraw/zinc/42/53/26/1020425326.db2.gz KNJBVMAYGQDGCU-YADHBBJMSA-N 2 1 387.531 3.723 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N(C)C3CC[NH2+]CC3)n2)CCC4)CC1 ZINC001156181211 1032914475 /nfs/dbraw/zinc/91/44/75/1032914475.db2.gz YTTKNSWVGFBCSH-UHFFFAOYSA-N 2 1 399.608 3.600 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245541638 1021014151 /nfs/dbraw/zinc/01/41/51/1021014151.db2.gz JGFFZSYJWQCKPA-XUBOLADHSA-N 2 1 379.589 3.875 20 0 GHADMP CC[N@H+](CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000652237129 1021216389 /nfs/dbraw/zinc/21/63/89/1021216389.db2.gz IFMFQBDFUSKEET-QGZVFWFLSA-N 2 1 381.586 3.753 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000652237129 1021216399 /nfs/dbraw/zinc/21/63/99/1021216399.db2.gz IFMFQBDFUSKEET-QGZVFWFLSA-N 2 1 381.586 3.753 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000652286080 1021217553 /nfs/dbraw/zinc/21/75/53/1021217553.db2.gz MFABNJYTCIJZBT-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP Cc1cc(N2CCCC2)nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH+]1 ZINC001156314319 1032975567 /nfs/dbraw/zinc/97/55/67/1032975567.db2.gz FNWUSMNCZJYUCP-QHAWAJNXSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c(Oc2ccccc2)c1 ZINC000903922935 1021655446 /nfs/dbraw/zinc/65/54/46/1021655446.db2.gz HQCPTCKAXGGJPR-LJQANCHMSA-N 2 1 377.492 3.593 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1-c1nccs1)C2 ZINC001140451039 1021739322 /nfs/dbraw/zinc/73/93/22/1021739322.db2.gz HDPBLBZIGXXWFT-OFNKIYASSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1-c1nccs1)C2 ZINC001140451039 1021739328 /nfs/dbraw/zinc/73/93/28/1021739328.db2.gz HDPBLBZIGXXWFT-OFNKIYASSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1-c1nccs1)C2 ZINC001140451039 1021739338 /nfs/dbraw/zinc/73/93/38/1021739338.db2.gz HDPBLBZIGXXWFT-OFNKIYASSA-N 2 1 397.588 3.990 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000679321039 1021985892 /nfs/dbraw/zinc/98/58/92/1021985892.db2.gz QRLOFZPLRSTPMA-AZUAARDMSA-N 2 1 383.536 3.762 20 0 GHADMP FC(F)(F)c1cnc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001204742989 1033059560 /nfs/dbraw/zinc/05/95/60/1033059560.db2.gz VXSKKOHNOSBVMA-UHFFFAOYSA-N 2 1 392.263 3.829 20 0 GHADMP FC(F)(F)c1cnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001204742989 1033059566 /nfs/dbraw/zinc/05/95/66/1033059566.db2.gz VXSKKOHNOSBVMA-UHFFFAOYSA-N 2 1 392.263 3.829 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801483 1022569727 /nfs/dbraw/zinc/56/97/27/1022569727.db2.gz PCUBYDBAWOYCCG-UHFFFAOYSA-N 2 1 379.508 3.798 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801483 1022569731 /nfs/dbraw/zinc/56/97/31/1022569731.db2.gz PCUBYDBAWOYCCG-UHFFFAOYSA-N 2 1 379.508 3.798 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c(N)cccc1F)CC2 ZINC001140874275 1022762657 /nfs/dbraw/zinc/76/26/57/1022762657.db2.gz PKMPTFNVJBDWJD-IBGZPJMESA-N 2 1 383.511 3.663 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC001228808020 1033109988 /nfs/dbraw/zinc/10/99/88/1033109988.db2.gz XKBUJUWWCFMAMY-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3c(=O)sc4c3CC[C@@H](C(C)(C)C)C4)C2)CC1 ZINC000755780893 1023375031 /nfs/dbraw/zinc/37/50/31/1023375031.db2.gz QOLCZLPODIKEFR-ZWKOTPCHSA-N 2 1 391.625 3.682 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3c(=O)sc4c3CC[C@@H](C(C)(C)C)C4)C2)CC1 ZINC000755780893 1023375039 /nfs/dbraw/zinc/37/50/39/1023375039.db2.gz QOLCZLPODIKEFR-ZWKOTPCHSA-N 2 1 391.625 3.682 20 0 GHADMP COC(=O)/C=C\c1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001204937901 1033175479 /nfs/dbraw/zinc/17/54/79/1033175479.db2.gz PDBKQXNZYDMVRE-FYMDEGJHSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001204937901 1033175490 /nfs/dbraw/zinc/17/54/90/1033175490.db2.gz PDBKQXNZYDMVRE-FYMDEGJHSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001204937901 1033175495 /nfs/dbraw/zinc/17/54/95/1033175495.db2.gz PDBKQXNZYDMVRE-FYMDEGJHSA-N 2 1 394.515 3.856 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)ccc1Cl ZINC001141238483 1024236712 /nfs/dbraw/zinc/23/67/12/1024236712.db2.gz YTAJYHGPWWHTQK-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)ccc1Cl ZINC001141238483 1024236731 /nfs/dbraw/zinc/23/67/31/1024236731.db2.gz YTAJYHGPWWHTQK-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)ccc1Cl ZINC001141238483 1024236747 /nfs/dbraw/zinc/23/67/47/1024236747.db2.gz YTAJYHGPWWHTQK-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000831164336 1024395526 /nfs/dbraw/zinc/39/55/26/1024395526.db2.gz CCPVWPZYCISZDV-SNFJGFPHSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000831164336 1024395548 /nfs/dbraw/zinc/39/55/48/1024395548.db2.gz CCPVWPZYCISZDV-SNFJGFPHSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000831164336 1024395568 /nfs/dbraw/zinc/39/55/68/1024395568.db2.gz CCPVWPZYCISZDV-SNFJGFPHSA-N 2 1 392.628 3.798 20 0 GHADMP COC(=O)c1ccc2c(CN3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)c[nH]c2c1 ZINC001138261595 1024493261 /nfs/dbraw/zinc/49/32/61/1024493261.db2.gz ALFBCVLPQXAPOT-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1ccc2c(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c[nH]c2c1 ZINC001138261595 1024493274 /nfs/dbraw/zinc/49/32/74/1024493274.db2.gz ALFBCVLPQXAPOT-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1ccc2c(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c[nH]c2c1 ZINC001138261595 1024493278 /nfs/dbraw/zinc/49/32/78/1024493278.db2.gz ALFBCVLPQXAPOT-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1ccc2c(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)c[nH]c2c1 ZINC001138261595 1024493291 /nfs/dbraw/zinc/49/32/91/1024493291.db2.gz ALFBCVLPQXAPOT-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1ccc2c(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)c[nH]c2c1 ZINC001138261595 1024493299 /nfs/dbraw/zinc/49/32/99/1024493299.db2.gz ALFBCVLPQXAPOT-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4cnc(N(C)C)nc4)CC3)C2)cc1 ZINC001138352110 1024714169 /nfs/dbraw/zinc/71/41/69/1024714169.db2.gz YISNAWLOPPUAOZ-UHFFFAOYSA-N 2 1 393.579 3.729 20 0 GHADMP Cc1c2ccccc2sc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138461693 1024888125 /nfs/dbraw/zinc/88/81/25/1024888125.db2.gz UDYXKDFRSPKAEL-RTBURBONSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1c2ccccc2sc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138461693 1024888142 /nfs/dbraw/zinc/88/81/42/1024888142.db2.gz UDYXKDFRSPKAEL-RTBURBONSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138461693 1024888165 /nfs/dbraw/zinc/88/81/65/1024888165.db2.gz UDYXKDFRSPKAEL-RTBURBONSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001138461693 1024888179 /nfs/dbraw/zinc/88/81/79/1024888179.db2.gz UDYXKDFRSPKAEL-RTBURBONSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001138544337 1024988409 /nfs/dbraw/zinc/98/84/09/1024988409.db2.gz GLUAEOABXQNALK-ICSRJNTNSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001138544337 1024988413 /nfs/dbraw/zinc/98/84/13/1024988413.db2.gz GLUAEOABXQNALK-ICSRJNTNSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138549640 1024997504 /nfs/dbraw/zinc/99/75/04/1024997504.db2.gz BJZLQSAMBBPFRI-UZLBHIALSA-N 2 1 384.524 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138549640 1024997505 /nfs/dbraw/zinc/99/75/05/1024997505.db2.gz BJZLQSAMBBPFRI-UZLBHIALSA-N 2 1 384.524 3.916 20 0 GHADMP COCCC[NH+]1CCC(Oc2ccc3c(n2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001229056813 1033253334 /nfs/dbraw/zinc/25/33/34/1033253334.db2.gz URFGWMLWTZKMCY-UHFFFAOYSA-N 2 1 395.547 3.520 20 0 GHADMP COCCC[NH+]1CCC(Oc2ccc3c(n2)C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001229056813 1033253347 /nfs/dbraw/zinc/25/33/47/1033253347.db2.gz URFGWMLWTZKMCY-UHFFFAOYSA-N 2 1 395.547 3.520 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001138773110 1025343438 /nfs/dbraw/zinc/34/34/38/1025343438.db2.gz REQIAKCABXSZSM-UHFFFAOYSA-N 3 1 395.591 3.971 20 0 GHADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001138773069 1025343745 /nfs/dbraw/zinc/34/37/45/1025343745.db2.gz ORUMQQDLYFDHMX-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001138773069 1025343754 /nfs/dbraw/zinc/34/37/54/1025343754.db2.gz ORUMQQDLYFDHMX-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP CCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138773069 1025343765 /nfs/dbraw/zinc/34/37/65/1025343765.db2.gz ORUMQQDLYFDHMX-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001138959623 1025659286 /nfs/dbraw/zinc/65/92/86/1025659286.db2.gz TZVWSIHMZNJTQT-UHFFFAOYSA-N 2 1 399.926 3.627 20 0 GHADMP CC(C)Oc1ccc(Cl)cc1CN1CCc2ncc(Cn3cccn3)n2CC1 ZINC001138959623 1025659298 /nfs/dbraw/zinc/65/92/98/1025659298.db2.gz TZVWSIHMZNJTQT-UHFFFAOYSA-N 2 1 399.926 3.627 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001162836005 1025934420 /nfs/dbraw/zinc/93/44/20/1025934420.db2.gz OZIVVUUOIIFWJT-UHFFFAOYSA-N 2 1 378.476 3.589 20 0 GHADMP CC(C)c1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001162927779 1025969863 /nfs/dbraw/zinc/96/98/63/1025969863.db2.gz FCOWMTCKSDOMLH-OAQYLSRUSA-N 2 1 379.552 3.514 20 0 GHADMP c1cc2ncc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2o1 ZINC001162935543 1025972311 /nfs/dbraw/zinc/97/23/11/1025972311.db2.gz RZOINAJPOHZBCV-LJQANCHMSA-N 2 1 376.504 3.742 20 0 GHADMP CNc1cc(Cl)cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934592 1025972393 /nfs/dbraw/zinc/97/23/93/1025972393.db2.gz ZONBWNDHIJSVON-GOSISDBHSA-N 2 1 399.970 3.690 20 0 GHADMP CC(C)Oc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cn1 ZINC001162935727 1025973293 /nfs/dbraw/zinc/97/32/93/1025973293.db2.gz UJSSSKXFSWGMAJ-OAQYLSRUSA-N 2 1 394.563 3.783 20 0 GHADMP CC(C)Oc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cn1 ZINC001162935726 1025973618 /nfs/dbraw/zinc/97/36/18/1025973618.db2.gz UJSSSKXFSWGMAJ-NRFANRHFSA-N 2 1 394.563 3.783 20 0 GHADMP O=C(Nc1ccccc1)Nc1cc[nH+]c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163049333 1026025177 /nfs/dbraw/zinc/02/51/77/1026025177.db2.gz DNPPUFWHILCNRX-QGZVFWFLSA-N 2 1 390.491 3.749 20 0 GHADMP c1cc2c(s1)[C@@H](Nc1nccc3c1CC[N@H+](Cc1ccccc1)C3)C[NH2+]C2 ZINC001163221341 1026092963 /nfs/dbraw/zinc/09/29/63/1026092963.db2.gz RZYIWOOPFDGIQU-FQEVSTJZSA-N 2 1 376.529 3.958 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)C1 ZINC001139335975 1026198443 /nfs/dbraw/zinc/19/84/43/1026198443.db2.gz HJGKQKYTBOZDPO-OAQYLSRUSA-N 2 1 396.531 3.785 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)C1 ZINC001139335975 1026198453 /nfs/dbraw/zinc/19/84/53/1026198453.db2.gz HJGKQKYTBOZDPO-OAQYLSRUSA-N 2 1 396.531 3.785 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC[C@H]([NH3+])c2ccc(C(=O)OC)cc2)nc1 ZINC001163467202 1026205209 /nfs/dbraw/zinc/20/52/09/1026205209.db2.gz QXYPHTAPWMBSEI-SFTDATJTSA-N 2 1 396.535 3.917 20 0 GHADMP C[N@H+](Cc1ccccc1-n1cncn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139420938 1026290823 /nfs/dbraw/zinc/29/08/23/1026290823.db2.gz JCIKLOKYYBNQOS-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP COCC[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC001139512712 1026366324 /nfs/dbraw/zinc/36/63/24/1026366324.db2.gz GPZNWRGMNIKBOP-UHFFFAOYSA-N 2 1 381.564 3.866 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC[C@@H]1O ZINC001139514877 1026371851 /nfs/dbraw/zinc/37/18/51/1026371851.db2.gz VTDPOUTUFJNOAG-BWKNWUBXSA-N 2 1 393.575 3.602 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2c[nH]c3ncc(C(F)(F)F)cc23)CC1 ZINC001139539109 1026400208 /nfs/dbraw/zinc/40/02/08/1026400208.db2.gz AHIXBQQSQGYUQH-QGZVFWFLSA-N 2 1 396.457 3.657 20 0 GHADMP C[NH+](C)C1(CNc2ccc(NC(=O)Oc3ccccc3)cc2)CC[NH+](C)CC1 ZINC001164216424 1026455637 /nfs/dbraw/zinc/45/56/37/1026455637.db2.gz AKISMFFULITSGY-UHFFFAOYSA-N 2 1 382.508 3.735 20 0 GHADMP COc1ccncc1C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139609768 1026472710 /nfs/dbraw/zinc/47/27/10/1026472710.db2.gz SGVDTFYBTJCLAH-UHFFFAOYSA-N 2 1 395.547 3.736 20 0 GHADMP Nc1[nH+]ccn1Cc1ccccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001164499209 1026535213 /nfs/dbraw/zinc/53/52/13/1026535213.db2.gz MSABROBBDBJNCT-UNWVZKJWSA-N 2 1 387.531 3.836 20 0 GHADMP COc1ccc(-c2ncc(C[NH+]3CCN(c4cc[nH+]cc4C)CC3)s2)cc1 ZINC001139796029 1026619443 /nfs/dbraw/zinc/61/94/43/1026619443.db2.gz NFYQFMMRKXZDPD-UHFFFAOYSA-N 2 1 380.517 3.844 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccncc4Cl)CC3)C2)cc1 ZINC001139846084 1026664198 /nfs/dbraw/zinc/66/41/98/1026664198.db2.gz DTSOURMJWPSVSW-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC001165368514 1026713863 /nfs/dbraw/zinc/71/38/63/1026713863.db2.gz VJJKRWLJQMNTSS-FQEVSTJZSA-N 2 1 394.563 3.900 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC001165368514 1026713875 /nfs/dbraw/zinc/71/38/75/1026713875.db2.gz VJJKRWLJQMNTSS-FQEVSTJZSA-N 2 1 394.563 3.900 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)cc1O ZINC001140122694 1026901693 /nfs/dbraw/zinc/90/16/93/1026901693.db2.gz YVNHXNKEYIPNCV-UHFFFAOYSA-N 2 1 397.357 3.717 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn(C)c4ncccc34)C[C@H]21 ZINC001209749295 1027140820 /nfs/dbraw/zinc/14/08/20/1027140820.db2.gz VPRURAOSRHDMQI-SXSPYAJSSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c2cccnc21 ZINC001209749295 1027140825 /nfs/dbraw/zinc/14/08/25/1027140825.db2.gz VPRURAOSRHDMQI-SXSPYAJSSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[N@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c2cccnc21 ZINC001209749295 1027140840 /nfs/dbraw/zinc/14/08/40/1027140840.db2.gz VPRURAOSRHDMQI-SXSPYAJSSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[NH+]2C[C@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c2cccnc21 ZINC001209749295 1027140846 /nfs/dbraw/zinc/14/08/46/1027140846.db2.gz VPRURAOSRHDMQI-SXSPYAJSSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[NH+]2C[C@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2cccnc21 ZINC001209749295 1027140860 /nfs/dbraw/zinc/14/08/60/1027140860.db2.gz VPRURAOSRHDMQI-SXSPYAJSSA-N 2 1 389.547 3.701 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1Cl ZINC001461252300 1069462585 /nfs/dbraw/zinc/46/25/85/1069462585.db2.gz BQWJEFVXTVCGAZ-UHFFFAOYSA-N 2 1 390.963 3.810 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c(C)c1OC ZINC001203783499 1027602144 /nfs/dbraw/zinc/60/21/44/1027602144.db2.gz ULAGBTGVQKKFOW-UHFFFAOYSA-N 2 1 386.511 3.948 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203786176 1027604010 /nfs/dbraw/zinc/60/40/10/1027604010.db2.gz SZLYSVVZSCADCI-LJQANCHMSA-N 2 1 389.540 3.785 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203786176 1027604016 /nfs/dbraw/zinc/60/40/16/1027604016.db2.gz SZLYSVVZSCADCI-LJQANCHMSA-N 2 1 389.540 3.785 20 0 GHADMP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc(OC)c1 ZINC001203855180 1027662594 /nfs/dbraw/zinc/66/25/94/1027662594.db2.gz UOTVCJJSOVPSQU-UHFFFAOYSA-N 2 1 377.488 3.883 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001210837303 1027672026 /nfs/dbraw/zinc/67/20/26/1027672026.db2.gz PMHRHEIBWPRIKK-QFIPXVFZSA-N 2 1 398.595 3.749 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3c1OCO3)CC2 ZINC001141951766 1027734363 /nfs/dbraw/zinc/73/43/63/1027734363.db2.gz NEBRDBPYOZWKBH-UHFFFAOYSA-N 2 1 379.504 3.687 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(OC(F)(F)F)c(Br)c3)[C@@H]2C1 ZINC001204089887 1027867826 /nfs/dbraw/zinc/86/78/26/1027867826.db2.gz SFUVZPHJFMIKKS-OUCADQQQSA-N 2 1 393.247 3.778 20 0 GHADMP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000840863423 1027898086 /nfs/dbraw/zinc/89/80/86/1027898086.db2.gz LWQHDESATUZWSM-JOCHJYFZSA-N 2 1 399.510 3.543 20 0 GHADMP Fc1cc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001211432694 1027956486 /nfs/dbraw/zinc/95/64/86/1027956486.db2.gz WFWFYHBXJBAMLK-HXUWFJFHSA-N 2 1 393.466 3.950 20 0 GHADMP C[C@H]1C[C@H](C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000841102466 1028137775 /nfs/dbraw/zinc/13/77/75/1028137775.db2.gz LGHHEDHJOGZHFX-ACZWYYKOSA-N 2 1 391.531 3.506 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)C1 ZINC001142388432 1028799995 /nfs/dbraw/zinc/79/99/95/1028799995.db2.gz WAURINRQSIUMDG-HXUWFJFHSA-N 2 1 380.532 3.998 20 0 GHADMP CNc1nc(Cl)ncc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001142491364 1028994846 /nfs/dbraw/zinc/99/48/46/1028994846.db2.gz LVJBWFNJOLAYQY-UHFFFAOYSA-N 2 1 385.943 3.660 20 0 GHADMP CNc1nc(Cl)ncc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001142491364 1028994847 /nfs/dbraw/zinc/99/48/47/1028994847.db2.gz LVJBWFNJOLAYQY-UHFFFAOYSA-N 2 1 385.943 3.660 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142603797 1029132895 /nfs/dbraw/zinc/13/28/95/1029132895.db2.gz OIEQKZLPLZFJIQ-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142603797 1029132909 /nfs/dbraw/zinc/13/29/09/1029132909.db2.gz OIEQKZLPLZFJIQ-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142603797 1029132917 /nfs/dbraw/zinc/13/29/17/1029132917.db2.gz OIEQKZLPLZFJIQ-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001142603797 1029132938 /nfs/dbraw/zinc/13/29/38/1029132938.db2.gz OIEQKZLPLZFJIQ-DHIUTWEWSA-N 2 1 378.516 3.817 20 0 GHADMP C[N@H+]1Cc2c(NC(=O)[C@H]3CC4CC[NH+]3CC4)cccc2[C@H](c2ccccc2)C1 ZINC001142632827 1029186283 /nfs/dbraw/zinc/18/62/83/1029186283.db2.gz IEHCYDIJZHENKY-NZQKXSOJSA-N 2 1 375.516 3.687 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H]3CC4CC[NH+]3CC4)cccc2[C@H](c2ccccc2)C1 ZINC001142632827 1029186295 /nfs/dbraw/zinc/18/62/95/1029186295.db2.gz IEHCYDIJZHENKY-NZQKXSOJSA-N 2 1 375.516 3.687 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccc(OC(F)F)c(OC(F)F)c3)CC2)cc[nH+]1 ZINC001142824605 1029537527 /nfs/dbraw/zinc/53/75/27/1029537527.db2.gz AUOZXFFYYMEYBO-UHFFFAOYSA-N 2 1 399.388 3.915 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001142837741 1029556931 /nfs/dbraw/zinc/55/69/31/1029556931.db2.gz YHCDVNPNCWERSC-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001142837741 1029556942 /nfs/dbraw/zinc/55/69/42/1029556942.db2.gz YHCDVNPNCWERSC-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3ccccn3)c1)C2 ZINC001142837741 1029556950 /nfs/dbraw/zinc/55/69/50/1029556950.db2.gz YHCDVNPNCWERSC-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001142845685 1029571447 /nfs/dbraw/zinc/57/14/47/1029571447.db2.gz BMYMEKSJFBOVFF-GOSISDBHSA-N 2 1 386.367 3.758 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccn4ccnc24)CC3)c1 ZINC001142952549 1029728370 /nfs/dbraw/zinc/72/83/70/1029728370.db2.gz WTAJPCOYFXCQQC-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP COc1ccc([C@@H](O)C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)Cc2ccccc2)cc1 ZINC000843130184 1029818666 /nfs/dbraw/zinc/81/86/66/1029818666.db2.gz ZPHXUHZWHXHQCJ-DVECYGJZSA-N 2 1 382.548 3.661 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143092327 1029839867 /nfs/dbraw/zinc/83/98/67/1029839867.db2.gz XQDAOBVIJAGSJW-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143092327 1029839873 /nfs/dbraw/zinc/83/98/73/1029839873.db2.gz XQDAOBVIJAGSJW-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143092327 1029839879 /nfs/dbraw/zinc/83/98/79/1029839879.db2.gz XQDAOBVIJAGSJW-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@H]21 ZINC001143092327 1029839882 /nfs/dbraw/zinc/83/98/82/1029839882.db2.gz XQDAOBVIJAGSJW-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC001143140388 1029865448 /nfs/dbraw/zinc/86/54/48/1029865448.db2.gz OLBVYUSRCOYOBK-REWPJTCUSA-N 2 1 387.612 3.863 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001143152306 1029870225 /nfs/dbraw/zinc/87/02/25/1029870225.db2.gz DEYXEEJKVJNSRY-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000843364184 1029940996 /nfs/dbraw/zinc/94/09/96/1029940996.db2.gz QFIWHEWFOINCEJ-JOCHJYFZSA-N 2 1 397.950 3.621 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)s1 ZINC001222148460 1029979377 /nfs/dbraw/zinc/97/93/77/1029979377.db2.gz PIFUAPBHZOLWPA-QGZVFWFLSA-N 2 1 384.471 3.743 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426754 1029997882 /nfs/dbraw/zinc/99/78/82/1029997882.db2.gz JMGPZKIDISLMRB-WLRLJWMZSA-N 2 1 387.568 3.567 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1C[C@@H](C)c1cccc3ccccc31)CC[NH2+]CC2 ZINC001222216133 1030011796 /nfs/dbraw/zinc/01/17/96/1030011796.db2.gz XFQKMNQEHFDMDT-XMSQKQJNSA-N 2 1 380.532 3.951 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1ccc(-c3cccs3)s1)CC[NH2+]CC2 ZINC001222222047 1030015915 /nfs/dbraw/zinc/01/59/15/1030015915.db2.gz WHJBVOHTCZDKLK-INIZCTEOSA-N 2 1 390.574 3.984 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3cccs3)s1)CC[NH2+]CC2 ZINC001222222047 1030015936 /nfs/dbraw/zinc/01/59/36/1030015936.db2.gz WHJBVOHTCZDKLK-INIZCTEOSA-N 2 1 390.574 3.984 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC001222401492 1030107899 /nfs/dbraw/zinc/10/78/99/1030107899.db2.gz UBCXZKBBEMOYAD-UHFFFAOYSA-N 2 1 396.375 3.926 20 0 GHADMP Cc1cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc(C)c1-c1ccc(F)cc1F ZINC001222510878 1030174868 /nfs/dbraw/zinc/17/48/68/1030174868.db2.gz IHQNPTUIEWAZKK-VXKWHMMOSA-N 2 1 385.502 3.774 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001222562600 1030199784 /nfs/dbraw/zinc/19/97/84/1030199784.db2.gz YNDYMHFFDJVJGU-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)C[C@H](C)O1 ZINC001222574626 1030205780 /nfs/dbraw/zinc/20/57/80/1030205780.db2.gz IJMZELVQXQSHIC-MQFRRQCYSA-N 2 1 386.580 3.993 20 0 GHADMP COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222615437 1030238914 /nfs/dbraw/zinc/23/89/14/1030238914.db2.gz PZGAGQZLRVCLQI-DEOSSOPVSA-N 2 1 385.511 3.946 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OCc2ccccc2)cc1OC ZINC001222623566 1030245860 /nfs/dbraw/zinc/24/58/60/1030245860.db2.gz MQHYRESJXZTQQZ-BGYRXZFFSA-N 2 1 396.531 3.714 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC001222868882 1030335620 /nfs/dbraw/zinc/33/56/20/1030335620.db2.gz YZVIHXNBEJIJLT-AOMIVXANSA-N 2 1 390.616 3.880 20 0 GHADMP N[C@H](Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217710551 1030620762 /nfs/dbraw/zinc/62/07/62/1030620762.db2.gz LJBJMXHDDKQEKN-VQIMIIECSA-N 2 1 384.430 3.580 20 0 GHADMP [NH3+][C@H](Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217710551 1030620769 /nfs/dbraw/zinc/62/07/69/1030620769.db2.gz LJBJMXHDDKQEKN-VQIMIIECSA-N 2 1 384.430 3.580 20 0 GHADMP [NH3+][C@H](Cc1ccc(F)c(F)c1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217710551 1030620780 /nfs/dbraw/zinc/62/07/80/1030620780.db2.gz LJBJMXHDDKQEKN-VQIMIIECSA-N 2 1 384.430 3.580 20 0 GHADMP [NH3+][C@H](Cc1cccc(Cl)c1)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217712885 1030621927 /nfs/dbraw/zinc/62/19/27/1030621927.db2.gz IXVWMTPWIANBGY-PKOBYXMFSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@H](Cc1cccc(Cl)c1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217712885 1030621933 /nfs/dbraw/zinc/62/19/33/1030621933.db2.gz IXVWMTPWIANBGY-PKOBYXMFSA-N 2 1 382.895 3.955 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001150872919 1030692773 /nfs/dbraw/zinc/69/27/73/1030692773.db2.gz CVCQVQSLMLHIFR-QHCPKHFHSA-N 2 1 397.607 3.808 20 0 GHADMP C[C@@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001218297514 1030876549 /nfs/dbraw/zinc/87/65/49/1030876549.db2.gz SYTZCBLMAWTICN-DVECYGJZSA-N 2 1 394.559 3.778 20 0 GHADMP C[C@@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001218297514 1030876578 /nfs/dbraw/zinc/87/65/78/1030876578.db2.gz SYTZCBLMAWTICN-DVECYGJZSA-N 2 1 394.559 3.778 20 0 GHADMP C[C@@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001218297515 1030877106 /nfs/dbraw/zinc/87/71/06/1030877106.db2.gz SYTZCBLMAWTICN-NTKDMRAZSA-N 2 1 394.559 3.778 20 0 GHADMP C[C@@H](Oc1ccc2c(c1)C(C)(C)C[NH2+]CC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001218297515 1030877128 /nfs/dbraw/zinc/87/71/28/1030877128.db2.gz SYTZCBLMAWTICN-NTKDMRAZSA-N 2 1 394.559 3.778 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[NH2+]CC2(C)C)c1-3 ZINC001218314189 1030887516 /nfs/dbraw/zinc/88/75/16/1030887516.db2.gz GFGROHCBGVKYJT-UYAOXDASSA-N 2 1 378.516 3.911 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CC[NH2+]CC2(C)C)c1-3 ZINC001218314186 1030887847 /nfs/dbraw/zinc/88/78/47/1030887847.db2.gz GFGROHCBGVKYJT-QUCCMNQESA-N 2 1 378.516 3.911 20 0 GHADMP C[NH+](C)[C@H]1CC[C@H](Oc2ccc(C[C@H]([NH3+])C(=O)OCc3ccccc3)cc2)CC1 ZINC001218328003 1030895248 /nfs/dbraw/zinc/89/52/48/1030895248.db2.gz HAWBPVVEVVREBQ-PMVMPFDFSA-N 2 1 396.531 3.551 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[C@H]4C[NH2+]C[C@@H]42)c1-3 ZINC001218469987 1030950892 /nfs/dbraw/zinc/95/08/92/1030950892.db2.gz YVGSNDNHUQHJNU-XFIJJGBISA-N 2 1 376.500 3.521 20 0 GHADMP [NH3+][C@@H](Cc1ccsc1)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218849713 1031114221 /nfs/dbraw/zinc/11/42/21/1031114221.db2.gz XGSSCPKAZHZNLU-NRFANRHFSA-N 2 1 377.513 3.772 20 0 GHADMP [NH3+][C@@H](Cc1ccsc1)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218849713 1031114229 /nfs/dbraw/zinc/11/42/29/1031114229.db2.gz XGSSCPKAZHZNLU-NRFANRHFSA-N 2 1 377.513 3.772 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]([NH3+])Cc2ccccc2F)c1 ZINC001218883563 1031132469 /nfs/dbraw/zinc/13/24/69/1031132469.db2.gz MRKYJZJGFUNJDB-HXUWFJFHSA-N 2 1 380.467 3.702 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001224900921 1031170040 /nfs/dbraw/zinc/17/00/40/1031170040.db2.gz WIDXXALSGOPBBU-HJNYFJLDSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](OC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224961294 1031193818 /nfs/dbraw/zinc/19/38/18/1031193818.db2.gz NXEGYVBXTZOTIA-PUHATCMVSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OC[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224961294 1031193826 /nfs/dbraw/zinc/19/38/26/1031193826.db2.gz NXEGYVBXTZOTIA-PUHATCMVSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[NH+]1CCC[C@H](OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224961294 1031193835 /nfs/dbraw/zinc/19/38/35/1031193835.db2.gz NXEGYVBXTZOTIA-PUHATCMVSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[NH+]1CCC[C@H](OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224961294 1031193845 /nfs/dbraw/zinc/19/38/45/1031193845.db2.gz NXEGYVBXTZOTIA-PUHATCMVSA-N 2 1 395.547 3.525 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C[C@@H]([NH3+])COC(C)(C)C)cccc2[C@@H](c2ccccc2)C1 ZINC001219046854 1031228359 /nfs/dbraw/zinc/22/83/59/1031228359.db2.gz KNPUUERVMSZISG-UYAOXDASSA-N 2 1 395.547 3.735 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Nc3cccc(CC[NH+]4CCOCC4)c3)cc2)CC1 ZINC001204380239 1031325453 /nfs/dbraw/zinc/32/54/53/1031325453.db2.gz ONEDHXPSNPWITG-UHFFFAOYSA-N 2 1 395.547 3.778 20 0 GHADMP CCN(C(=O)Nc1ccnc(C[NH+](C)C)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001219713322 1031574132 /nfs/dbraw/zinc/57/41/32/1031574132.db2.gz OIKNDWUUNPAVKG-AVRDEDQJSA-N 2 1 395.551 3.833 20 0 GHADMP CCN(C(=O)Nc1ccnc(C[NH+](C)C)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001219713322 1031574150 /nfs/dbraw/zinc/57/41/50/1031574150.db2.gz OIKNDWUUNPAVKG-AVRDEDQJSA-N 2 1 395.551 3.833 20 0 GHADMP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001219775007 1031612340 /nfs/dbraw/zinc/61/23/40/1031612340.db2.gz HMLDFYXANNZMQD-FQEVSTJZSA-N 2 1 389.971 3.906 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219825452 1031639196 /nfs/dbraw/zinc/63/91/96/1031639196.db2.gz KMRAPZKMFVBCQK-NRFANRHFSA-N 2 1 391.540 3.711 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001219940920 1031707508 /nfs/dbraw/zinc/70/75/08/1031707508.db2.gz IGQJYUMBNPOWGP-QTJGBDASSA-N 2 1 391.559 3.898 20 0 GHADMP Cc1cccc2c1C1(C[C@H]2CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC001220062150 1031760504 /nfs/dbraw/zinc/76/05/04/1031760504.db2.gz NYQGKRQQUSUEAK-LEWJYISDSA-N 2 1 397.607 3.874 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161713 1031808273 /nfs/dbraw/zinc/80/82/73/1031808273.db2.gz FHXGCLKKXFZPSN-NOZRDPDXSA-N 2 1 391.559 3.727 20 0 GHADMP CC[N@@H+](CCCC(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001220499987 1031965669 /nfs/dbraw/zinc/96/56/69/1031965669.db2.gz GDTSKGLYQSXCRA-CVDCTZTESA-N 2 1 397.563 3.545 20 0 GHADMP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001220521527 1031974034 /nfs/dbraw/zinc/97/40/34/1031974034.db2.gz XZSRJFQIDFHDTQ-HSALFYBXSA-N 2 1 388.600 3.694 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001229186792 1033328818 /nfs/dbraw/zinc/32/88/18/1033328818.db2.gz NCPQYWFDDSHZBJ-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP Clc1ccsc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001205334003 1033367380 /nfs/dbraw/zinc/36/73/80/1033367380.db2.gz ZZCSVCZHIRKBAR-SJLPKXTDSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1ccsc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001205334003 1033367395 /nfs/dbraw/zinc/36/73/95/1033367395.db2.gz ZZCSVCZHIRKBAR-SJLPKXTDSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1ccsc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001205334003 1033367404 /nfs/dbraw/zinc/36/74/04/1033367404.db2.gz ZZCSVCZHIRKBAR-SJLPKXTDSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1ccsc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001205334003 1033367413 /nfs/dbraw/zinc/36/74/13/1033367413.db2.gz ZZCSVCZHIRKBAR-SJLPKXTDSA-N 2 1 377.941 3.519 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849300 1069790536 /nfs/dbraw/zinc/79/05/36/1069790536.db2.gz HNKDMZNDYYXRDZ-AQNXPRMDSA-N 2 1 379.589 3.830 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001229403201 1033462048 /nfs/dbraw/zinc/46/20/48/1033462048.db2.gz HOYSZQIUBLVNBN-IRLDBZIGSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001229403201 1033462061 /nfs/dbraw/zinc/46/20/61/1033462061.db2.gz HOYSZQIUBLVNBN-IRLDBZIGSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001229403201 1033462077 /nfs/dbraw/zinc/46/20/77/1033462077.db2.gz HOYSZQIUBLVNBN-IRLDBZIGSA-N 2 1 388.600 3.659 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205638348 1033504694 /nfs/dbraw/zinc/50/46/94/1033504694.db2.gz MSPZPPZXWIKBPV-GHTZIAJQSA-N 2 1 396.531 3.859 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1Br ZINC001205639034 1033505867 /nfs/dbraw/zinc/50/58/67/1033505867.db2.gz VBJGYBCYZPWDEZ-WCQYABFASA-N 2 1 375.738 3.918 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001229569969 1033562796 /nfs/dbraw/zinc/56/27/96/1033562796.db2.gz PZKZVTASINUDPZ-VWPQPMDRSA-N 2 1 388.600 3.974 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001229569969 1033562799 /nfs/dbraw/zinc/56/27/99/1033562799.db2.gz PZKZVTASINUDPZ-VWPQPMDRSA-N 2 1 388.600 3.974 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001229569969 1033562801 /nfs/dbraw/zinc/56/28/01/1033562801.db2.gz PZKZVTASINUDPZ-VWPQPMDRSA-N 2 1 388.600 3.974 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206004899 1033680201 /nfs/dbraw/zinc/68/02/01/1033680201.db2.gz VRLYQAYEZSTPNJ-RBUKOAKNSA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206004899 1033680208 /nfs/dbraw/zinc/68/02/08/1033680208.db2.gz VRLYQAYEZSTPNJ-RBUKOAKNSA-N 2 1 386.561 3.635 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@H](c3ccccc3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615202 1033691869 /nfs/dbraw/zinc/69/18/69/1033691869.db2.gz CHSNOVFCENLXCX-WNXIRNOKSA-N 2 1 391.559 3.501 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@H]1F ZINC001206166259 1033749163 /nfs/dbraw/zinc/74/91/63/1033749163.db2.gz RMTPOKIMLKKNAQ-MSOLQXFVSA-N 2 1 378.289 3.772 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cnc2Br)CC1 ZINC001206311083 1033790641 /nfs/dbraw/zinc/79/06/41/1033790641.db2.gz IDUWOAYMQDMJKM-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cnc2Br)CC1 ZINC001206311083 1033790661 /nfs/dbraw/zinc/79/06/61/1033790661.db2.gz IDUWOAYMQDMJKM-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)c(Br)c2)CC1 ZINC001206327298 1033798293 /nfs/dbraw/zinc/79/82/93/1033798293.db2.gz VBTCTWYXNCTDHE-SFHVURJKSA-N 2 1 377.330 3.586 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001203380309 1033812624 /nfs/dbraw/zinc/81/26/24/1033812624.db2.gz SULDUFHRSNYGON-FQEVSTJZSA-N 2 1 398.551 3.763 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2c(Cl)cccc2I)CC1 ZINC001206506588 1033880456 /nfs/dbraw/zinc/88/04/56/1033880456.db2.gz GTGSFEDPDJFSSD-UHFFFAOYSA-N 2 1 378.685 3.505 20 0 GHADMP Cc1cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c(Cl)cc1Cl ZINC001277444035 1033887687 /nfs/dbraw/zinc/88/76/87/1033887687.db2.gz YTDROEUNFBZWJG-FQEVSTJZSA-N 2 1 398.378 3.820 20 0 GHADMP c1ccc2c(c1)CCC21CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206684162 1033943316 /nfs/dbraw/zinc/94/33/16/1033943316.db2.gz OWVLGCAJISRRTR-UHFFFAOYSA-N 2 1 376.544 3.999 20 0 GHADMP CCN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@H]1CCC[NH2+]C1 ZINC001158205049 1033962986 /nfs/dbraw/zinc/96/29/86/1033962986.db2.gz LRIWDIDPADOXPU-KRWDZBQOSA-N 2 1 395.576 3.998 20 0 GHADMP Cc1nc(C[N@@H+]2CCCC23CCN(Cc2[nH+]cc4ccccn42)CC3)cs1 ZINC001207050273 1034069066 /nfs/dbraw/zinc/06/90/66/1034069066.db2.gz MYYYYEOLEKAGIQ-UHFFFAOYSA-N 2 1 381.549 3.730 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN(Cc2[nH+]cc4ccccn42)CC3)cs1 ZINC001207050273 1034069074 /nfs/dbraw/zinc/06/90/74/1034069074.db2.gz MYYYYEOLEKAGIQ-UHFFFAOYSA-N 2 1 381.549 3.730 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001207102338 1034094332 /nfs/dbraw/zinc/09/43/32/1034094332.db2.gz NPNOVWGKKVWCGS-PPXMBRMGSA-N 2 1 387.568 3.647 20 0 GHADMP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001230639408 1034158451 /nfs/dbraw/zinc/15/84/51/1034158451.db2.gz VNOZFJGODOHCAG-UHFFFAOYSA-N 2 1 388.600 3.615 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001230639408 1034158460 /nfs/dbraw/zinc/15/84/60/1034158460.db2.gz VNOZFJGODOHCAG-UHFFFAOYSA-N 2 1 388.600 3.615 20 0 GHADMP CCOC[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2cnn(CC)c21 ZINC001207289917 1034239969 /nfs/dbraw/zinc/23/99/69/1034239969.db2.gz ZEDGLRWVRWLFDP-QHCPKHFHSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289443 1034240317 /nfs/dbraw/zinc/24/03/17/1034240317.db2.gz NVJKWYXQQQLVNO-UHFFFAOYSA-N 2 1 399.579 3.984 20 0 GHADMP c1csc(CC[NH+]2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001207291857 1034243764 /nfs/dbraw/zinc/24/37/64/1034243764.db2.gz ZUANWHHOLBASEA-UHFFFAOYSA-N 2 1 383.605 3.820 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@H]4CCCN4C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001207367675 1034307962 /nfs/dbraw/zinc/30/79/62/1034307962.db2.gz RGOIJJRGAMSLPY-YPAWHYETSA-N 2 1 399.579 3.758 20 0 GHADMP COc1cccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001207428285 1034365492 /nfs/dbraw/zinc/36/54/92/1034365492.db2.gz NVSFFRQURYMXOF-UHFFFAOYSA-N 2 1 394.559 3.913 20 0 GHADMP COc1ccccc1CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001207456124 1034377150 /nfs/dbraw/zinc/37/71/50/1034377150.db2.gz OBBOUKGXJMZRRS-UHFFFAOYSA-N 2 1 394.559 3.913 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1 ZINC001207479844 1034389756 /nfs/dbraw/zinc/38/97/56/1034389756.db2.gz UVIUMWRQJJLVHQ-HSZRJFAPSA-N 2 1 394.559 3.993 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001159207604 1034483757 /nfs/dbraw/zinc/48/37/57/1034483757.db2.gz HSQCFFWGMUPCNE-FYYLOGMGSA-N 2 1 387.612 3.766 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cccc(N4CCOCC4)[nH+]2)C3)cc1 ZINC001159292986 1034527872 /nfs/dbraw/zinc/52/78/72/1034527872.db2.gz AUSUVHFGTSKCSK-MZADTFQBSA-N 2 1 378.520 3.526 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC1CCSCC1)CC2 ZINC001207706970 1034536246 /nfs/dbraw/zinc/53/62/46/1034536246.db2.gz INIOKEJAGLTXAB-GOSISDBHSA-N 2 1 395.638 3.589 20 0 GHADMP C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207768704 1034567983 /nfs/dbraw/zinc/56/79/83/1034567983.db2.gz ZRQIGCHWZFISOF-HXUWFJFHSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](CCC1CN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207768704 1034567990 /nfs/dbraw/zinc/56/79/90/1034567990.db2.gz ZRQIGCHWZFISOF-HXUWFJFHSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](CCC1CN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207768704 1034567996 /nfs/dbraw/zinc/56/79/96/1034567996.db2.gz ZRQIGCHWZFISOF-HXUWFJFHSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001207783882 1034574787 /nfs/dbraw/zinc/57/47/87/1034574787.db2.gz SVSSHUUKPJEJTE-MOXWOTFGSA-N 2 1 379.589 3.686 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CCN(CC3(c4ccccc4)CC3)CC2)C1 ZINC001207841135 1034616231 /nfs/dbraw/zinc/61/62/31/1034616231.db2.gz QPOIUFCZWKRBQU-FQEVSTJZSA-N 2 1 399.579 3.782 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CCN(CC3(c4ccccc4)CC3)CC2)C1 ZINC001207841135 1034616242 /nfs/dbraw/zinc/61/62/42/1034616242.db2.gz QPOIUFCZWKRBQU-FQEVSTJZSA-N 2 1 399.579 3.782 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1 ZINC001231506183 1034652272 /nfs/dbraw/zinc/65/22/72/1034652272.db2.gz WRQBPHWHEYEXEO-DNQXCXABSA-N 2 1 394.559 3.974 20 0 GHADMP COCCCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1OC ZINC001231543393 1034697478 /nfs/dbraw/zinc/69/74/78/1034697478.db2.gz NNNDHRLXEGUQRP-OAQYLSRUSA-N 2 1 390.568 3.951 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1OC ZINC001231543393 1034697484 /nfs/dbraw/zinc/69/74/84/1034697484.db2.gz NNNDHRLXEGUQRP-OAQYLSRUSA-N 2 1 390.568 3.951 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001208110341 1034738570 /nfs/dbraw/zinc/73/85/70/1034738570.db2.gz AYFYBRPGAQFERE-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP C[N@@H+]1Cc2c(Nc3ccc(N4CC[NH2+]CC4)nc3)cccc2[C@H](c2ccccc2)C1 ZINC001159808264 1034749447 /nfs/dbraw/zinc/74/94/47/1034749447.db2.gz VWVMSYJNWAGUND-QFIPXVFZSA-N 2 1 399.542 3.812 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CCCC1 ZINC001208185475 1034782053 /nfs/dbraw/zinc/78/20/53/1034782053.db2.gz OBGDYCWBLAJIBP-UHFFFAOYSA-N 2 1 382.527 3.805 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CCCC1 ZINC001208185503 1034782831 /nfs/dbraw/zinc/78/28/31/1034782831.db2.gz OZKZKULFEQXTRD-AVRDEDQJSA-N 2 1 397.579 3.779 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001208208419 1034798160 /nfs/dbraw/zinc/79/81/60/1034798160.db2.gz GAYSIIZKDZXRFS-BHIYHBOVSA-N 2 1 384.545 3.719 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC001231691102 1034840902 /nfs/dbraw/zinc/84/09/02/1034840902.db2.gz HLZSZVWBFYMAPS-HXUWFJFHSA-N 2 1 384.520 3.682 20 0 GHADMP CCN(CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578310 1034937777 /nfs/dbraw/zinc/93/77/77/1034937777.db2.gz SXJICIWIPSADQD-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578310 1034937780 /nfs/dbraw/zinc/93/77/80/1034937780.db2.gz SXJICIWIPSADQD-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578310 1034937783 /nfs/dbraw/zinc/93/77/83/1034937783.db2.gz SXJICIWIPSADQD-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578310 1034937788 /nfs/dbraw/zinc/93/77/88/1034937788.db2.gz SXJICIWIPSADQD-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001208578310 1034937795 /nfs/dbraw/zinc/93/77/95/1034937795.db2.gz SXJICIWIPSADQD-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H](C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1)c1cccc2ccccc21 ZINC001208715893 1034989590 /nfs/dbraw/zinc/98/95/90/1034989590.db2.gz KNVVZGPINUMZGZ-UQWVPHONSA-N 2 1 389.547 3.630 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1)c1cccc2ccccc21 ZINC001208715893 1034989592 /nfs/dbraw/zinc/98/95/92/1034989592.db2.gz KNVVZGPINUMZGZ-UQWVPHONSA-N 2 1 389.547 3.630 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1)c1cccc2ccccc21 ZINC001208715893 1034989596 /nfs/dbraw/zinc/98/95/96/1034989596.db2.gz KNVVZGPINUMZGZ-UQWVPHONSA-N 2 1 389.547 3.630 20 0 GHADMP CN1CCC([N@H+](C)Cc2cc(Br)ccc2OC(F)(F)F)CC1 ZINC001231925289 1034993787 /nfs/dbraw/zinc/99/37/87/1034993787.db2.gz XKJJPLGKPNSWJE-UHFFFAOYSA-N 2 1 381.236 3.874 20 0 GHADMP CN1CCC([N@@H+](C)Cc2cc(Br)ccc2OC(F)(F)F)CC1 ZINC001231925289 1034993791 /nfs/dbraw/zinc/99/37/91/1034993791.db2.gz XKJJPLGKPNSWJE-UHFFFAOYSA-N 2 1 381.236 3.874 20 0 GHADMP c1c(C[N@H+]2CC[C@]3(C2)COCc2cnc(-c4ccccc4)nc23)[nH]c2cc[nH+]cc12 ZINC001232015333 1035045167 /nfs/dbraw/zinc/04/51/67/1035045167.db2.gz VRUXGCCIAXQJOA-DEOSSOPVSA-N 2 1 397.482 3.694 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208930350 1035094575 /nfs/dbraw/zinc/09/45/75/1035094575.db2.gz ABDUZVWBHXDSTB-HXUWFJFHSA-N 2 1 378.516 3.744 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208930350 1035094578 /nfs/dbraw/zinc/09/45/78/1035094578.db2.gz ABDUZVWBHXDSTB-HXUWFJFHSA-N 2 1 378.516 3.744 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208930350 1035094582 /nfs/dbraw/zinc/09/45/82/1035094582.db2.gz ABDUZVWBHXDSTB-HXUWFJFHSA-N 2 1 378.516 3.744 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208930350 1035094587 /nfs/dbraw/zinc/09/45/87/1035094587.db2.gz ABDUZVWBHXDSTB-HXUWFJFHSA-N 2 1 378.516 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208933126 1035097356 /nfs/dbraw/zinc/09/73/56/1035097356.db2.gz TYNDUEZWWLHOAH-NHCUHLMSSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC12CC2 ZINC001208933126 1035097361 /nfs/dbraw/zinc/09/73/61/1035097361.db2.gz TYNDUEZWWLHOAH-NHCUHLMSSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208933126 1035097368 /nfs/dbraw/zinc/09/73/68/1035097368.db2.gz TYNDUEZWWLHOAH-NHCUHLMSSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208933126 1035097375 /nfs/dbraw/zinc/09/73/75/1035097375.db2.gz TYNDUEZWWLHOAH-NHCUHLMSSA-N 2 1 399.579 3.888 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)C2)cc1 ZINC001208934821 1035100669 /nfs/dbraw/zinc/10/06/69/1035100669.db2.gz HELCDSSMUQRVKE-QFIPXVFZSA-N 2 1 396.579 3.563 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(CC(N5CCCC5)=NO4)CC3)C2)cc1 ZINC001208934821 1035100673 /nfs/dbraw/zinc/10/06/73/1035100673.db2.gz HELCDSSMUQRVKE-QFIPXVFZSA-N 2 1 396.579 3.563 20 0 GHADMP CC(C)N1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC001208939091 1035107666 /nfs/dbraw/zinc/10/76/66/1035107666.db2.gz BTWLVMUNYCFWDM-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)N1c1ccccc1 ZINC001208942904 1035113248 /nfs/dbraw/zinc/11/32/48/1035113248.db2.gz FOUSKNCQBUZFFV-QPTUXGOLSA-N 2 1 389.543 3.778 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)N1c1ccccc1 ZINC001208942904 1035113253 /nfs/dbraw/zinc/11/32/53/1035113253.db2.gz FOUSKNCQBUZFFV-QPTUXGOLSA-N 2 1 389.543 3.778 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)N1c1ccccc1 ZINC001208942904 1035113260 /nfs/dbraw/zinc/11/32/60/1035113260.db2.gz FOUSKNCQBUZFFV-QPTUXGOLSA-N 2 1 389.543 3.778 20 0 GHADMP C[C@@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943249 1035113639 /nfs/dbraw/zinc/11/36/39/1035113639.db2.gz SLOYVMRRHBYOAG-TZIWHRDSSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943249 1035113642 /nfs/dbraw/zinc/11/36/42/1035113642.db2.gz SLOYVMRRHBYOAG-TZIWHRDSSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943249 1035113647 /nfs/dbraw/zinc/11/36/47/1035113647.db2.gz SLOYVMRRHBYOAG-TZIWHRDSSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943249 1035113652 /nfs/dbraw/zinc/11/36/52/1035113652.db2.gz SLOYVMRRHBYOAG-TZIWHRDSSA-N 2 1 387.568 3.840 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943787 1035114219 /nfs/dbraw/zinc/11/42/19/1035114219.db2.gz USPGVCOVIFONKG-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208943787 1035114224 /nfs/dbraw/zinc/11/42/24/1035114224.db2.gz USPGVCOVIFONKG-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208943787 1035114229 /nfs/dbraw/zinc/11/42/29/1035114229.db2.gz USPGVCOVIFONKG-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc(-c4cccnc4)o2)CC3)co1 ZINC001232132253 1035114587 /nfs/dbraw/zinc/11/45/87/1035114587.db2.gz ORNGKRYXAPTCTN-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001208944621 1035115121 /nfs/dbraw/zinc/11/51/21/1035115121.db2.gz XZSYFVSGTLHJIA-ODAXIHTASA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001208944621 1035115125 /nfs/dbraw/zinc/11/51/25/1035115125.db2.gz XZSYFVSGTLHJIA-ODAXIHTASA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001208944621 1035115128 /nfs/dbraw/zinc/11/51/28/1035115128.db2.gz XZSYFVSGTLHJIA-ODAXIHTASA-N 2 1 384.564 3.810 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208946275 1035117449 /nfs/dbraw/zinc/11/74/49/1035117449.db2.gz TYDDVGSPZWCPQJ-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208946275 1035117453 /nfs/dbraw/zinc/11/74/53/1035117453.db2.gz TYDDVGSPZWCPQJ-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208946275 1035117456 /nfs/dbraw/zinc/11/74/56/1035117456.db2.gz TYDDVGSPZWCPQJ-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208946275 1035117463 /nfs/dbraw/zinc/11/74/63/1035117463.db2.gz TYDDVGSPZWCPQJ-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948970 1035119221 /nfs/dbraw/zinc/11/92/21/1035119221.db2.gz URUSQEJNDHYDFJ-NFBKMPQASA-N 2 1 381.539 3.854 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948970 1035119224 /nfs/dbraw/zinc/11/92/24/1035119224.db2.gz URUSQEJNDHYDFJ-NFBKMPQASA-N 2 1 381.539 3.854 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948970 1035119230 /nfs/dbraw/zinc/11/92/30/1035119230.db2.gz URUSQEJNDHYDFJ-NFBKMPQASA-N 2 1 381.539 3.854 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(F)cc2)CCN1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948970 1035119235 /nfs/dbraw/zinc/11/92/35/1035119235.db2.gz URUSQEJNDHYDFJ-NFBKMPQASA-N 2 1 381.539 3.854 20 0 GHADMP CN(C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161062880 1035129111 /nfs/dbraw/zinc/12/91/11/1035129111.db2.gz KXUPOKXZFWPLAK-MOPGFXCFSA-N 2 1 398.378 3.934 20 0 GHADMP CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232151973 1035130174 /nfs/dbraw/zinc/13/01/74/1035130174.db2.gz SFKPVWPOTKRHBW-DEOSSOPVSA-N 2 1 399.554 3.610 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001208995873 1035141581 /nfs/dbraw/zinc/14/15/81/1035141581.db2.gz YVMGUFMOYVDQJB-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP Cn1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C2CC2)n1 ZINC001232169449 1035142117 /nfs/dbraw/zinc/14/21/17/1035142117.db2.gz ATDOJXXGGNJEBS-QFIPXVFZSA-N 2 1 394.563 3.553 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001232189444 1035153672 /nfs/dbraw/zinc/15/36/72/1035153672.db2.gz GDYGYCARAIJBLC-XZOQPEGZSA-N 2 1 377.532 3.907 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001232189444 1035153674 /nfs/dbraw/zinc/15/36/74/1035153674.db2.gz GDYGYCARAIJBLC-XZOQPEGZSA-N 2 1 377.532 3.907 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001232198454 1035156881 /nfs/dbraw/zinc/15/68/81/1035156881.db2.gz SPIFWBDRPVNPDC-HXUWFJFHSA-N 2 1 385.939 3.649 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)C1 ZINC001232198454 1035156884 /nfs/dbraw/zinc/15/68/84/1035156884.db2.gz SPIFWBDRPVNPDC-HXUWFJFHSA-N 2 1 385.939 3.649 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC4(CC2)OCCO4)C3)cc1 ZINC001209103832 1035173876 /nfs/dbraw/zinc/17/38/76/1035173876.db2.gz KVVVWBMUNQJSTI-QHCPKHFHSA-N 2 1 384.564 3.908 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC4(CC2)OCCO4)C3)cc1 ZINC001209103832 1035173882 /nfs/dbraw/zinc/17/38/82/1035173882.db2.gz KVVVWBMUNQJSTI-QHCPKHFHSA-N 2 1 384.564 3.908 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC4(CC2)OCCO4)C3)cc1 ZINC001209103832 1035173885 /nfs/dbraw/zinc/17/38/85/1035173885.db2.gz KVVVWBMUNQJSTI-QHCPKHFHSA-N 2 1 384.564 3.908 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232011 1035186823 /nfs/dbraw/zinc/18/68/23/1035186823.db2.gz WYAINZVDKWQZAB-GJPOJAMWSA-N 2 1 391.559 3.695 20 0 GHADMP [NH3+][C@H](C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1)c1ccsc1 ZINC001161301970 1035204702 /nfs/dbraw/zinc/20/47/02/1035204702.db2.gz CYFAHOZEGHVPHB-KRWDZBQOSA-N 2 1 397.466 3.548 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCCCOCc3ccccc3)C2)C1 ZINC001209252323 1035221984 /nfs/dbraw/zinc/22/19/84/1035221984.db2.gz DKYJOGOYDHYFRY-DNQXCXABSA-N 2 1 386.580 3.664 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCCCOCc3ccccc3)C2)C1 ZINC001209252323 1035221989 /nfs/dbraw/zinc/22/19/89/1035221989.db2.gz DKYJOGOYDHYFRY-DNQXCXABSA-N 2 1 386.580 3.664 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCCCOCc3ccccc3)C2)C1 ZINC001209252323 1035221993 /nfs/dbraw/zinc/22/19/93/1035221993.db2.gz DKYJOGOYDHYFRY-DNQXCXABSA-N 2 1 386.580 3.664 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](Nc3ncnc4c3C[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458650 1035235474 /nfs/dbraw/zinc/23/54/74/1035235474.db2.gz XXDFTBOFHBFOEI-FGZHOGPDSA-N 2 1 385.515 3.550 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3ncnc4c3C[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458650 1035235479 /nfs/dbraw/zinc/23/54/79/1035235479.db2.gz XXDFTBOFHBFOEI-FGZHOGPDSA-N 2 1 385.515 3.550 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3ncc4c(n3)CC[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161458565 1035235632 /nfs/dbraw/zinc/23/56/32/1035235632.db2.gz VHSBONQOSMVTIV-ISKFKSNPSA-N 2 1 399.542 3.593 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(NCc3cccc(-c4ccc(F)cc4)c3)n2)CC1 ZINC001161464217 1035236137 /nfs/dbraw/zinc/23/61/37/1035236137.db2.gz USGLJAMKJACBCI-UHFFFAOYSA-N 2 1 377.467 3.822 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](CC4Cc5ccccc5C4)CC3)C2)c1 ZINC001209319772 1035241177 /nfs/dbraw/zinc/24/11/77/1035241177.db2.gz AJIWQSQMJDXYSC-UHFFFAOYSA-N 2 1 382.573 3.830 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](CC4Cc5ccccc5C4)CC3)C2)c1 ZINC001209319772 1035241182 /nfs/dbraw/zinc/24/11/82/1035241182.db2.gz AJIWQSQMJDXYSC-UHFFFAOYSA-N 2 1 382.573 3.830 20 0 GHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(NC3(Cc4ccccn4)CC[NH2+]CC3)c12 ZINC001161495652 1035241435 /nfs/dbraw/zinc/24/14/35/1035241435.db2.gz ZMAMDUJAYHDZMW-UHFFFAOYSA-N 2 1 398.514 3.651 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)C[C@H](C)O1 ZINC001209378627 1035261797 /nfs/dbraw/zinc/26/17/97/1035261797.db2.gz DKPHASQEDMJXCF-MQFRRQCYSA-N 2 1 386.580 3.946 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@H]4C[C@@H](C)O[C@@H](C)C4)CC3)C2)cc1 ZINC001209379335 1035262576 /nfs/dbraw/zinc/26/25/76/1035262576.db2.gz HPVUXANBRPBKFE-IUTQVRIDSA-N 2 1 386.580 3.865 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](CCC[NH+]4CCCCC4)C[C@H]2C3)c1 ZINC001209450941 1035276753 /nfs/dbraw/zinc/27/67/53/1035276753.db2.gz DVVRCTYZWPPGQN-CTNGQTDRSA-N 2 1 394.563 3.543 20 0 GHADMP C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462012522 1069944742 /nfs/dbraw/zinc/94/47/42/1069944742.db2.gz JBSHNJCYMQQORM-DENIHFKCSA-N 2 1 393.531 3.508 20 0 GHADMP C[C@@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462012522 1069944745 /nfs/dbraw/zinc/94/47/45/1069944745.db2.gz JBSHNJCYMQQORM-DENIHFKCSA-N 2 1 393.531 3.508 20 0 GHADMP CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)C1 ZINC001248275991 1035721225 /nfs/dbraw/zinc/72/12/25/1035721225.db2.gz WEUUOMSJBFDTCZ-DNVCBOLYSA-N 2 1 381.455 3.807 20 0 GHADMP CC[N@H+]1CCC[C@@H](c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)C1 ZINC001248275991 1035721247 /nfs/dbraw/zinc/72/12/47/1035721247.db2.gz WEUUOMSJBFDTCZ-DNVCBOLYSA-N 2 1 381.455 3.807 20 0 GHADMP CCN(CC)C(=O)c1ccc(F)c(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001242005928 1035790013 /nfs/dbraw/zinc/79/00/13/1035790013.db2.gz SFTGQINPANSHKE-UHFFFAOYSA-N 2 1 383.511 3.898 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC001248620872 1035995812 /nfs/dbraw/zinc/99/58/12/1035995812.db2.gz GXCYGQSOFVFHNP-FQEVSTJZSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC001248620872 1035995817 /nfs/dbraw/zinc/99/58/17/1035995817.db2.gz GXCYGQSOFVFHNP-FQEVSTJZSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC001248620872 1035995823 /nfs/dbraw/zinc/99/58/23/1035995823.db2.gz GXCYGQSOFVFHNP-FQEVSTJZSA-N 2 1 394.991 3.849 20 0 GHADMP C[NH+](C)CCOc1cccc(-c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)c1 ZINC001243750004 1036268406 /nfs/dbraw/zinc/26/84/06/1036268406.db2.gz AUMARUUCJPLHBN-SVMVAKDDSA-N 2 1 376.504 3.983 20 0 GHADMP C[C@](O)(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1)c1ccccc1 ZINC001246009267 1037129897 /nfs/dbraw/zinc/12/98/97/1037129897.db2.gz XMIVDHNBJKBJKE-IBGZPJMESA-N 2 1 378.438 3.781 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CC12C[NH2+]C2)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246011631 1037131390 /nfs/dbraw/zinc/13/13/90/1037131390.db2.gz XXLDEIRPWCWLDI-QZTJIDSGSA-N 2 1 375.299 3.550 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246055916 1037167340 /nfs/dbraw/zinc/16/73/40/1037167340.db2.gz QNDKGRZOFJHDGO-ACRUOGEOSA-N 2 1 390.568 3.586 20 0 GHADMP [NH3+]C1CCC([N@H+](Cc2ccccc2)C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001246059560 1037172747 /nfs/dbraw/zinc/17/27/47/1037172747.db2.gz AUPGCYUHGWOALH-CBNMVNINSA-N 2 1 388.939 3.852 20 0 GHADMP CCC(CC)[N@@H+](C[C@H](O)COc1ccccc1OC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064465 1037176876 /nfs/dbraw/zinc/17/68/76/1037176876.db2.gz DQTCRVLRRNNBAZ-JBACZVJFSA-N 2 1 392.584 3.974 20 0 GHADMP CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001246066278 1037178640 /nfs/dbraw/zinc/17/86/40/1037178640.db2.gz SZQWGGAQLFEPFH-AKIFATBCSA-N 2 1 382.548 3.584 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246066572 1037180652 /nfs/dbraw/zinc/18/06/52/1037180652.db2.gz KSHVCJWEYBVDDT-FKBYEOEOSA-N 2 1 386.511 3.646 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2(O)CC[NH+](Cc3ccccc3)CC2)C2CCCCC2)CC1 ZINC001246072286 1037188487 /nfs/dbraw/zinc/18/84/87/1037188487.db2.gz YJTDYLBTQZQIMM-HCGLCNNCSA-N 3 1 399.623 3.918 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](NC[C@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115205 1037197612 /nfs/dbraw/zinc/19/76/12/1037197612.db2.gz REWVUYCUNZPZCY-DZWGLGNASA-N 2 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]C[C@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115205 1037197625 /nfs/dbraw/zinc/19/76/25/1037197625.db2.gz REWVUYCUNZPZCY-DZWGLGNASA-N 3 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]C[C@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115205 1037197638 /nfs/dbraw/zinc/19/76/38/1037197638.db2.gz REWVUYCUNZPZCY-DZWGLGNASA-N 3 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N[C@@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246113437 1037199173 /nfs/dbraw/zinc/19/91/73/1037199173.db2.gz APIKIQFTLVPESG-ZYQDXHPFSA-N 2 1 375.560 3.703 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1 ZINC001246190705 1037230280 /nfs/dbraw/zinc/23/02/80/1037230280.db2.gz MFJSVPNIQRQSPO-IRLDBZIGSA-N 2 1 384.495 3.823 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC001246366147 1037325050 /nfs/dbraw/zinc/32/50/50/1037325050.db2.gz MDLYFJTVQCNOJR-MOPGFXCFSA-N 2 1 394.401 3.781 20 0 GHADMP COc1ccccc1C1([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC[NH2+]CC1 ZINC001246376652 1037331727 /nfs/dbraw/zinc/33/17/27/1037331727.db2.gz MWNSZODOHRQIAR-OAHLLOKOSA-N 2 1 390.449 3.838 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1F ZINC001246376800 1037334090 /nfs/dbraw/zinc/33/40/90/1037334090.db2.gz XXQGGZNXDOXJEK-NQIIRXRSSA-N 2 1 390.474 3.881 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1F ZINC001246376804 1037334445 /nfs/dbraw/zinc/33/44/45/1037334445.db2.gz XXQGGZNXDOXJEK-RXVVDRJESA-N 2 1 390.474 3.881 20 0 GHADMP Clc1ccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[NH2+]CC2)cc1 ZINC001246394290 1037353585 /nfs/dbraw/zinc/35/35/85/1037353585.db2.gz RMKOTTOZLYWCKI-FRIKZZABSA-N 2 1 387.999 4.000 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246429893 1037389025 /nfs/dbraw/zinc/38/90/25/1037389025.db2.gz JNHPRQJVEQJLQB-YOEHRIQHSA-N 2 1 384.442 3.606 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246435730 1037398051 /nfs/dbraw/zinc/39/80/51/1037398051.db2.gz KPACELIGBBKKEH-OALUTQOASA-N 3 1 383.502 3.818 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1Br ZINC001246479036 1037426325 /nfs/dbraw/zinc/42/63/25/1037426325.db2.gz QNGWUUCMCPQCEV-ROUUACIJSA-N 2 1 389.337 3.911 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCc1ccccc1 ZINC001246484789 1037430688 /nfs/dbraw/zinc/43/06/88/1037430688.db2.gz JCFSFNYASWOWSV-OKZBNKHCSA-N 2 1 386.458 3.938 20 0 GHADMP [NH3+][C@H](CCCC[NH2+]C1CCC2(CCOCC2)CC1)C(=O)OCc1ccccc1 ZINC001246498531 1037441004 /nfs/dbraw/zinc/44/10/04/1037441004.db2.gz XUIGSACEOCHVDX-OAQYLSRUSA-N 2 1 388.552 3.556 20 0 GHADMP CCCC(C[NH3+])(CCC)[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001246506861 1037446184 /nfs/dbraw/zinc/44/61/84/1037446184.db2.gz XJZVLABXCGWYHQ-UHFFFAOYSA-N 2 1 383.939 3.971 20 0 GHADMP CC[C@@H]1C[C@@H](NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCOC)C[C@H](CC)[NH2+]1 ZINC001246512307 1037449594 /nfs/dbraw/zinc/44/95/94/1037449594.db2.gz FBWXCJCCDBFZQX-WOZUAGRISA-N 2 1 381.992 3.858 20 0 GHADMP CC[C@@H]1C[C@@H](NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)C[C@H](CC)[NH2+]1 ZINC001246512307 1037449621 /nfs/dbraw/zinc/44/96/21/1037449621.db2.gz FBWXCJCCDBFZQX-WOZUAGRISA-N 2 1 381.992 3.858 20 0 GHADMP C[NH2+]CCN(C)[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246523009 1037455020 /nfs/dbraw/zinc/45/50/20/1037455020.db2.gz LACYJBRYTCYFGO-UBFVSLLYSA-N 2 1 377.576 3.903 20 0 GHADMP COC(=O)c1ccc([C@H]([NH3+])CN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001246526342 1037457404 /nfs/dbraw/zinc/45/74/04/1037457404.db2.gz PTAYNJUAVXJIBB-FCHUYYIVSA-N 2 1 395.547 3.506 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246528754 1037463424 /nfs/dbraw/zinc/46/34/24/1037463424.db2.gz XVTBVSHIOCNIKV-CDXJDZJCSA-N 2 1 384.495 3.874 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246548591 1037476364 /nfs/dbraw/zinc/47/63/64/1037476364.db2.gz FJLHFXXANBVMRI-FIZWLOMBSA-N 2 1 378.944 3.610 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628393 1037515896 /nfs/dbraw/zinc/51/58/96/1037515896.db2.gz XMYIQDNQUKEHTN-QPXUXIHVSA-N 2 1 397.607 3.805 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628393 1037515905 /nfs/dbraw/zinc/51/59/05/1037515905.db2.gz XMYIQDNQUKEHTN-QPXUXIHVSA-N 2 1 397.607 3.805 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628393 1037515918 /nfs/dbraw/zinc/51/59/18/1037515918.db2.gz XMYIQDNQUKEHTN-QPXUXIHVSA-N 3 1 397.607 3.805 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628393 1037515927 /nfs/dbraw/zinc/51/59/27/1037515927.db2.gz XMYIQDNQUKEHTN-QPXUXIHVSA-N 2 1 397.607 3.805 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628393 1037515944 /nfs/dbraw/zinc/51/59/44/1037515944.db2.gz XMYIQDNQUKEHTN-QPXUXIHVSA-N 2 1 397.607 3.805 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001246628718 1037516532 /nfs/dbraw/zinc/51/65/32/1037516532.db2.gz CSARDHNLBMCDGR-IBGZPJMESA-N 2 1 398.497 3.968 20 0 GHADMP COc1cccc(C[C@H](C)[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1 ZINC001246634853 1037522103 /nfs/dbraw/zinc/52/21/03/1037522103.db2.gz HTDAREOHLLPLJJ-SFHVURJKSA-N 2 1 380.532 3.772 20 0 GHADMP CC1(C)C[C@@H](N2CC(F)(F)CC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001246650163 1037526121 /nfs/dbraw/zinc/52/61/21/1037526121.db2.gz BHGRTBPIALRMAL-IBGZPJMESA-N 2 1 377.523 3.893 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246654048 1037529035 /nfs/dbraw/zinc/52/90/35/1037529035.db2.gz GXYSFOTTYAEJBG-ZLDLUXBVSA-N 2 1 382.348 3.600 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246654048 1037529053 /nfs/dbraw/zinc/52/90/53/1037529053.db2.gz GXYSFOTTYAEJBG-ZLDLUXBVSA-N 2 1 382.348 3.600 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)CO2 ZINC001246672967 1037537833 /nfs/dbraw/zinc/53/78/33/1037537833.db2.gz NIHZKUSKGVIOOJ-NWSQWKLXSA-N 2 1 382.935 3.897 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)CO2 ZINC001246672967 1037537839 /nfs/dbraw/zinc/53/78/39/1037537839.db2.gz NIHZKUSKGVIOOJ-NWSQWKLXSA-N 2 1 382.935 3.897 20 0 GHADMP COc1cccc2c1CC[C@H]([N@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)C2 ZINC001246674488 1037540312 /nfs/dbraw/zinc/54/03/12/1037540312.db2.gz UIGURAWIZPPZPR-WRALFONMSA-N 2 1 376.544 3.806 20 0 GHADMP C[C@H]1C[C@@H](N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001246673420 1037540361 /nfs/dbraw/zinc/54/03/61/1037540361.db2.gz MLKKRVDLLSAMIK-BPUWIUIQSA-N 2 1 375.560 3.871 20 0 GHADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001462194357 1070072028 /nfs/dbraw/zinc/07/20/28/1070072028.db2.gz ZHYWQIKNMNVKIF-HXUWFJFHSA-N 2 1 377.573 3.977 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246705644 1037558390 /nfs/dbraw/zinc/55/83/90/1037558390.db2.gz ZLZPPPASYLRAJY-MJGOQNOKSA-N 2 1 380.374 3.882 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@@H](CC)[NH2+]1 ZINC001246722392 1037573147 /nfs/dbraw/zinc/57/31/47/1037573147.db2.gz NQFXQODGTXPDIA-KNKQGSTJSA-N 2 1 389.609 3.985 20 0 GHADMP Cc1cccc(CN2CC[C@]3(CC[N@H+](C4CCC5(CCC[NH2+]C5)CC4)C3)C2=O)c1 ZINC001246729441 1037578715 /nfs/dbraw/zinc/57/87/15/1037578715.db2.gz OCTLOKVAOIBRAF-PUOLSWATSA-N 2 1 395.591 3.732 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)C[C@@H](CC)[NH2+]1 ZINC001246738796 1037583102 /nfs/dbraw/zinc/58/31/02/1037583102.db2.gz GPWZRZNBXQTAII-RKONGDRVSA-N 2 1 383.580 3.634 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](C1CCC3(CC[NH2+]CC3)CC1)C2 ZINC001246748646 1037587755 /nfs/dbraw/zinc/58/77/55/1037587755.db2.gz BXXPCYDSQUFRLR-JOCHJYFZSA-N 2 1 387.593 3.879 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)CC[NH2+]1 ZINC001246753088 1037593672 /nfs/dbraw/zinc/59/36/72/1037593672.db2.gz ATRNYZOKADCBNJ-DBXWQHBBSA-N 2 1 375.582 3.796 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@H](CC)[NH2+]1 ZINC001246766375 1037609252 /nfs/dbraw/zinc/60/92/52/1037609252.db2.gz AOYWUKBJYFHLAG-ZYRMUBPZSA-N 2 1 398.551 3.545 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@H](CC)[NH2+]1 ZINC001246766375 1037609282 /nfs/dbraw/zinc/60/92/82/1037609282.db2.gz AOYWUKBJYFHLAG-ZYRMUBPZSA-N 2 1 398.551 3.545 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246769036 1037610266 /nfs/dbraw/zinc/61/02/66/1037610266.db2.gz WGSBUXDYJRBSKI-YVHKJVDXSA-N 2 1 391.506 3.704 20 0 GHADMP COCCCN([C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246807807 1037641768 /nfs/dbraw/zinc/64/17/68/1037641768.db2.gz LWPIVHUNJWGBHV-UEQSERJNSA-N 2 1 385.596 3.663 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246814269 1037648330 /nfs/dbraw/zinc/64/83/30/1037648330.db2.gz POXPEWCNYPZFCT-XUSKPFNFSA-N 2 1 375.601 3.704 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246819919 1037652155 /nfs/dbraw/zinc/65/21/55/1037652155.db2.gz UQFLAPVVNLRYAZ-UHFFFAOYSA-N 2 1 382.474 3.535 20 0 GHADMP CC[C@H]1C[C@@H]([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246822693 1037654856 /nfs/dbraw/zinc/65/48/56/1037654856.db2.gz MKKKHUDUKUPASL-ROUUACIJSA-N 2 1 379.342 3.874 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246826594 1037657740 /nfs/dbraw/zinc/65/77/40/1037657740.db2.gz XIYSYIRUFMAINS-DQBMGFJSSA-N 2 1 383.580 3.640 20 0 GHADMP c1ccc(CN2CC[C@@H]([N@@H+](Cc3ccccc3)[C@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246840678 1037667632 /nfs/dbraw/zinc/66/76/32/1037667632.db2.gz PQSVTLZVCGFTTE-BJKOFHAPSA-N 2 1 375.560 3.905 20 0 GHADMP CCOC(=O)[C@]12C[N@H+]([C@@H](C)CC(C)(C)SCc3ccco3)C[C@H]1C[NH2+]CC2 ZINC001246855282 1037676681 /nfs/dbraw/zinc/67/66/81/1037676681.db2.gz LBEIJAJLSVMEIK-CSODHUTKSA-N 2 1 394.581 3.545 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCN1Cc1ccccc1 ZINC001246880070 1037694801 /nfs/dbraw/zinc/69/48/01/1037694801.db2.gz PJYIWUQGUOJPNQ-PQVVKJAFSA-N 2 1 375.560 3.513 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246880070 1037694811 /nfs/dbraw/zinc/69/48/11/1037694811.db2.gz PJYIWUQGUOJPNQ-PQVVKJAFSA-N 2 1 375.560 3.513 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246880070 1037694828 /nfs/dbraw/zinc/69/48/28/1037694828.db2.gz PJYIWUQGUOJPNQ-PQVVKJAFSA-N 2 1 375.560 3.513 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C1)C2 ZINC001246882697 1037699104 /nfs/dbraw/zinc/69/91/04/1037699104.db2.gz ZULAFFCMFHDJEP-CJFMBICVSA-N 2 1 396.575 3.894 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001246915893 1037722719 /nfs/dbraw/zinc/72/27/19/1037722719.db2.gz ZDZUAXZIKLHELC-MOUTVQLLSA-N 2 1 392.543 3.976 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001246915893 1037722739 /nfs/dbraw/zinc/72/27/39/1037722739.db2.gz ZDZUAXZIKLHELC-MOUTVQLLSA-N 2 1 392.543 3.976 20 0 GHADMP CC1(C)[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246924765 1037730253 /nfs/dbraw/zinc/73/02/53/1037730253.db2.gz JQXDJLBSNFQCDG-DFIYOIEZSA-N 2 1 390.527 3.691 20 0 GHADMP O=C1C[C@@H]([N@@H+](Cc2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC001246935762 1037740066 /nfs/dbraw/zinc/74/00/66/1037740066.db2.gz WUKUQWFQMDLMKL-NAVOZUGXSA-N 2 1 389.543 3.573 20 0 GHADMP Fc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001246953484 1037760378 /nfs/dbraw/zinc/76/03/78/1037760378.db2.gz ALXLHCWFRFEFLE-UHFFFAOYSA-N 3 1 377.523 3.831 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246957597 1037772606 /nfs/dbraw/zinc/77/26/06/1037772606.db2.gz BRZAPYGSNXIYJA-ZYQDXHPFSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246957597 1037772625 /nfs/dbraw/zinc/77/26/25/1037772625.db2.gz BRZAPYGSNXIYJA-ZYQDXHPFSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246957597 1037772647 /nfs/dbraw/zinc/77/26/47/1037772647.db2.gz BRZAPYGSNXIYJA-ZYQDXHPFSA-N 2 1 375.560 3.556 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)C1 ZINC001246960946 1037781086 /nfs/dbraw/zinc/78/10/86/1037781086.db2.gz FFDJSPCYXDIQHN-UWJYYQICSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@H]1C ZINC001246985077 1037808922 /nfs/dbraw/zinc/80/89/22/1037808922.db2.gz AUWFZMRKGHXRAU-SHJAMOMRSA-N 2 1 376.516 3.838 20 0 GHADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@H]1C ZINC001246985077 1037808944 /nfs/dbraw/zinc/80/89/44/1037808944.db2.gz AUWFZMRKGHXRAU-SHJAMOMRSA-N 2 1 376.516 3.838 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246991446 1037814233 /nfs/dbraw/zinc/81/42/33/1037814233.db2.gz AZPSAAMNUHZPGP-FCJDFRRUSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246991446 1037814254 /nfs/dbraw/zinc/81/42/54/1037814254.db2.gz AZPSAAMNUHZPGP-FCJDFRRUSA-N 2 1 396.506 3.816 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246993978 1037817631 /nfs/dbraw/zinc/81/76/31/1037817631.db2.gz AGUHWPHJBHMRHZ-SLYNCCJLSA-N 2 1 376.928 3.725 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246993978 1037817652 /nfs/dbraw/zinc/81/76/52/1037817652.db2.gz AGUHWPHJBHMRHZ-SLYNCCJLSA-N 2 1 376.928 3.725 20 0 GHADMP COc1cc(C)c(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cn1 ZINC001232350782 1038128730 /nfs/dbraw/zinc/12/87/30/1038128730.db2.gz JQMIIBILAFNMLK-UHFFFAOYSA-N 2 1 380.536 3.670 20 0 GHADMP COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC001232366844 1038142544 /nfs/dbraw/zinc/14/25/44/1038142544.db2.gz QIOSQYNHRMXIKK-QFIPXVFZSA-N 2 1 380.536 3.569 20 0 GHADMP COc1cncc(OC)c1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001232502693 1038275002 /nfs/dbraw/zinc/27/50/02/1038275002.db2.gz BQFMAZXFFWBAAK-UHFFFAOYSA-N 2 1 387.549 3.648 20 0 GHADMP COc1cncc(OC)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001232502693 1038275007 /nfs/dbraw/zinc/27/50/07/1038275007.db2.gz BQFMAZXFFWBAAK-UHFFFAOYSA-N 2 1 387.549 3.648 20 0 GHADMP Fc1nccc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001232617002 1038404139 /nfs/dbraw/zinc/40/41/39/1038404139.db2.gz MFFGZRMMHGWQCI-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4c3CCCC4)CC2)C1 ZINC001232634987 1038420901 /nfs/dbraw/zinc/42/09/01/1038420901.db2.gz BOMWYEFRPGUSQM-OAQYLSRUSA-N 2 1 384.564 3.805 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4c3CCCC4)CC2)C1 ZINC001232634987 1038420904 /nfs/dbraw/zinc/42/09/04/1038420904.db2.gz BOMWYEFRPGUSQM-OAQYLSRUSA-N 2 1 384.564 3.805 20 0 GHADMP Fc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c2ccccc12 ZINC001247907583 1038480910 /nfs/dbraw/zinc/48/09/10/1038480910.db2.gz JHPRTKYPZKJUQE-UHFFFAOYSA-N 2 1 380.467 3.960 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705762 1038505484 /nfs/dbraw/zinc/50/54/84/1038505484.db2.gz AUQHXFSQHAEDNN-SFTDATJTSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705762 1038505488 /nfs/dbraw/zinc/50/54/88/1038505488.db2.gz AUQHXFSQHAEDNN-SFTDATJTSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001232705762 1038505492 /nfs/dbraw/zinc/50/54/92/1038505492.db2.gz AUQHXFSQHAEDNN-SFTDATJTSA-N 2 1 396.506 3.956 20 0 GHADMP Brc1coc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232854096 1038599949 /nfs/dbraw/zinc/59/99/49/1038599949.db2.gz ODCHVMRDPGCEKR-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Brc1coc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232854096 1038599955 /nfs/dbraw/zinc/59/99/55/1038599955.db2.gz ODCHVMRDPGCEKR-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Oc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001232863964 1038624504 /nfs/dbraw/zinc/62/45/04/1038624504.db2.gz UIUTZTFJQAQYQD-UHFFFAOYSA-N 2 1 397.544 3.802 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232899805 1038695230 /nfs/dbraw/zinc/69/52/30/1038695230.db2.gz FJEBZSOMPXUYCU-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232899805 1038695235 /nfs/dbraw/zinc/69/52/35/1038695235.db2.gz FJEBZSOMPXUYCU-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232899805 1038695242 /nfs/dbraw/zinc/69/52/42/1038695242.db2.gz FJEBZSOMPXUYCU-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cncc(-c4ccccc4)c3)C2)C1 ZINC001232899805 1038695247 /nfs/dbraw/zinc/69/52/47/1038695247.db2.gz FJEBZSOMPXUYCU-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3-n3cccc3)CC2)C1 ZINC001232909611 1038706122 /nfs/dbraw/zinc/70/61/22/1038706122.db2.gz SEWRYOJQEURMIR-OAQYLSRUSA-N 2 1 395.547 3.717 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3-n3cccc3)CC2)C1 ZINC001232909611 1038706131 /nfs/dbraw/zinc/70/61/31/1038706131.db2.gz SEWRYOJQEURMIR-OAQYLSRUSA-N 2 1 395.547 3.717 20 0 GHADMP CCc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001462310520 1070160821 /nfs/dbraw/zinc/16/08/21/1070160821.db2.gz CULVQOYDGUODTG-HQRMLTQVSA-N 2 1 375.557 3.887 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001252063874 1038837332 /nfs/dbraw/zinc/83/73/32/1038837332.db2.gz WLKSAONDMBPFEI-ZRCGQRJVSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001252063874 1038837360 /nfs/dbraw/zinc/83/73/60/1038837360.db2.gz WLKSAONDMBPFEI-ZRCGQRJVSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001252063874 1038837383 /nfs/dbraw/zinc/83/73/83/1038837383.db2.gz WLKSAONDMBPFEI-ZRCGQRJVSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001252063868 1038839378 /nfs/dbraw/zinc/83/93/78/1038839378.db2.gz WLKSAONDMBPFEI-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001252063868 1038839404 /nfs/dbraw/zinc/83/94/04/1038839404.db2.gz WLKSAONDMBPFEI-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001252063868 1038839433 /nfs/dbraw/zinc/83/94/33/1038839433.db2.gz WLKSAONDMBPFEI-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP Cc1nnc([C@@H]2CC[N@@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317849 1070165762 /nfs/dbraw/zinc/16/57/62/1070165762.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 1 381.568 3.841 20 0 GHADMP Cc1nnc([C@@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317849 1070165766 /nfs/dbraw/zinc/16/57/66/1070165766.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 1 381.568 3.841 20 0 GHADMP Cc1nnc([C@@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317849 1070165772 /nfs/dbraw/zinc/16/57/72/1070165772.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@@H]2CC[N@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001462317849 1070165779 /nfs/dbraw/zinc/16/57/79/1070165779.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001462317849 1070165784 /nfs/dbraw/zinc/16/57/84/1070165784.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001462317849 1070165791 /nfs/dbraw/zinc/16/57/91/1070165791.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@@H]2CC[NH+](C[C@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001462317849 1070165797 /nfs/dbraw/zinc/16/57/97/1070165797.db2.gz YKQYOWNREAAWOH-NFBKMPQASA-N 2 1 381.568 3.841 20 0 GHADMP CCCCOC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001252509837 1039013365 /nfs/dbraw/zinc/01/33/65/1039013365.db2.gz GPDRHBFFIFBZJH-QHCPKHFHSA-N 2 1 388.596 3.851 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001233299449 1039089949 /nfs/dbraw/zinc/08/99/49/1039089949.db2.gz ZRQZVTRPLHEEJT-OTOIZHKDSA-N 2 1 378.516 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001233299449 1039089967 /nfs/dbraw/zinc/08/99/67/1039089967.db2.gz ZRQZVTRPLHEEJT-OTOIZHKDSA-N 2 1 378.516 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001233299449 1039089981 /nfs/dbraw/zinc/08/99/81/1039089981.db2.gz ZRQZVTRPLHEEJT-OTOIZHKDSA-N 2 1 378.516 3.827 20 0 GHADMP O[C@H](CN1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)c1ccc(F)cc1 ZINC001252846636 1039204946 /nfs/dbraw/zinc/20/49/46/1039204946.db2.gz RCFZERZVJDHGRV-OAQYLSRUSA-N 2 1 377.419 3.866 20 0 GHADMP O[C@]1(C[N@@H+]2CCC[C@@H]2c2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)C1 ZINC001252927007 1039266510 /nfs/dbraw/zinc/26/65/10/1039266510.db2.gz DHBWDZRMIBOUSI-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[N@H+]2CCC[C@@H]2c2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)C1 ZINC001252927007 1039266523 /nfs/dbraw/zinc/26/65/23/1039266523.db2.gz DHBWDZRMIBOUSI-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@@H]2c2cc3ccccc3[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001252927007 1039266536 /nfs/dbraw/zinc/26/65/36/1039266536.db2.gz DHBWDZRMIBOUSI-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@@H]2c2cc3ccccc3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252927007 1039266548 /nfs/dbraw/zinc/26/65/48/1039266548.db2.gz DHBWDZRMIBOUSI-DNQXCXABSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3ccccc3F)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950460 1039293508 /nfs/dbraw/zinc/29/35/08/1039293508.db2.gz AMZOZXNKDAFSMF-XMMPIXPASA-N 2 1 382.523 3.765 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3ccccc3F)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950460 1039293514 /nfs/dbraw/zinc/29/35/14/1039293514.db2.gz AMZOZXNKDAFSMF-XMMPIXPASA-N 2 1 382.523 3.765 20 0 GHADMP CCC(CC)[N@@H+](C[C@H](O)C[NH+](CC)CC)C1CCN(Cc2ccccc2)CC1 ZINC001253188484 1039466838 /nfs/dbraw/zinc/46/68/38/1039466838.db2.gz ZNHRMEBVUULECX-XMMPIXPASA-N 2 1 389.628 3.844 20 0 GHADMP C[NH+](C)C1(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CCC1 ZINC001234417403 1040017772 /nfs/dbraw/zinc/01/77/72/1040017772.db2.gz IAQQELIHTYYEFN-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cc(Cl)cc(Br)c34)C[C@@H]2C1 ZINC001234460221 1040049852 /nfs/dbraw/zinc/04/98/52/1040049852.db2.gz FNAXNSRCISDFHI-YPMHNXCESA-N 2 1 382.733 3.967 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cc(Cl)cc(Br)c34)C[C@@H]2C1 ZINC001234460221 1040049869 /nfs/dbraw/zinc/04/98/69/1040049869.db2.gz FNAXNSRCISDFHI-YPMHNXCESA-N 2 1 382.733 3.967 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c[nH]c4cc(Cl)cc(Br)c34)C[C@@H]2C1 ZINC001234460221 1040049883 /nfs/dbraw/zinc/04/98/83/1040049883.db2.gz FNAXNSRCISDFHI-YPMHNXCESA-N 2 1 382.733 3.967 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c[nH]c4cc(Cl)cc(Br)c34)C[C@@H]2C1 ZINC001234460221 1040049897 /nfs/dbraw/zinc/04/98/97/1040049897.db2.gz FNAXNSRCISDFHI-YPMHNXCESA-N 2 1 382.733 3.967 20 0 GHADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254243216 1040095763 /nfs/dbraw/zinc/09/57/63/1040095763.db2.gz LEGBZMUGUYRPOD-ULQDDVLXSA-N 2 1 381.561 3.531 20 0 GHADMP Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522595 1040295125 /nfs/dbraw/zinc/29/51/25/1040295125.db2.gz OZKJEUGZULMERJ-KNQAVFIVSA-N 2 1 398.595 3.529 20 0 GHADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001254520908 1040296876 /nfs/dbraw/zinc/29/68/76/1040296876.db2.gz ZJGZJPNAYUVCJX-LJQANCHMSA-N 2 1 375.582 3.551 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)CC1 ZINC001254520908 1040296893 /nfs/dbraw/zinc/29/68/93/1040296893.db2.gz ZJGZJPNAYUVCJX-LJQANCHMSA-N 2 1 375.582 3.551 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001254528929 1040300022 /nfs/dbraw/zinc/30/00/22/1040300022.db2.gz ANKUUOIFDLWKAZ-JOCHJYFZSA-N 3 1 385.596 3.616 20 0 GHADMP CN1CCC[C@@H]([NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001254528929 1040300037 /nfs/dbraw/zinc/30/00/37/1040300037.db2.gz ANKUUOIFDLWKAZ-JOCHJYFZSA-N 2 1 385.596 3.616 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531740 1040304245 /nfs/dbraw/zinc/30/42/45/1040304245.db2.gz KWYXQXVPODXGLB-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531740 1040304258 /nfs/dbraw/zinc/30/42/58/1040304258.db2.gz KWYXQXVPODXGLB-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531740 1040304275 /nfs/dbraw/zinc/30/42/75/1040304275.db2.gz KWYXQXVPODXGLB-RPWUZVMVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)nc3C3CCCC3)C2)ccn1 ZINC001462457833 1070267512 /nfs/dbraw/zinc/26/75/12/1070267512.db2.gz KIUHDDDMIYLAGX-JOCHJYFZSA-N 2 1 397.567 3.578 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cn(C)nc3C3CCCC3)C2)ccn1 ZINC001462457833 1070267524 /nfs/dbraw/zinc/26/75/24/1070267524.db2.gz KIUHDDDMIYLAGX-JOCHJYFZSA-N 2 1 397.567 3.578 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cn(C)nc3C3CCCC3)C2)ccn1 ZINC001462457833 1070267534 /nfs/dbraw/zinc/26/75/34/1070267534.db2.gz KIUHDDDMIYLAGX-JOCHJYFZSA-N 2 1 397.567 3.578 20 0 GHADMP Fc1ccc(N2CCC([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001254627568 1040403833 /nfs/dbraw/zinc/40/38/33/1040403833.db2.gz HCBHFCKQVUSTNK-OYRHEFFESA-N 2 1 379.523 3.858 20 0 GHADMP Brc1ccc2cc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001235008169 1040499332 /nfs/dbraw/zinc/49/93/32/1040499332.db2.gz NYIXGHQAZNPZBV-HXUWFJFHSA-N 2 1 389.337 3.804 20 0 GHADMP Brc1ccc2cc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001235008169 1040499340 /nfs/dbraw/zinc/49/93/40/1040499340.db2.gz NYIXGHQAZNPZBV-HXUWFJFHSA-N 2 1 389.337 3.804 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](C[C@H](C)OCc1ccccc1)CC2 ZINC001235019048 1040508350 /nfs/dbraw/zinc/50/83/50/1040508350.db2.gz KZGPZUIUIVMXMP-IBGZPJMESA-N 2 1 380.532 3.737 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C[C@H](C)OCc1ccccc1)CC2 ZINC001235019048 1040508368 /nfs/dbraw/zinc/50/83/68/1040508368.db2.gz KZGPZUIUIVMXMP-IBGZPJMESA-N 2 1 380.532 3.737 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001254757771 1040519106 /nfs/dbraw/zinc/51/91/06/1040519106.db2.gz CJHIAAIRRXCRAX-SFTDATJTSA-N 2 1 399.579 3.888 20 0 GHADMP Fc1ccccc1-c1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c[nH]1 ZINC001235032483 1040522280 /nfs/dbraw/zinc/52/22/80/1040522280.db2.gz PIZRTLOAJVZUEQ-UHFFFAOYSA-N 2 1 393.510 3.671 20 0 GHADMP FC(F)(F)c1ccc(C(F)(F)F)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235039378 1040534672 /nfs/dbraw/zinc/53/46/72/1040534672.db2.gz ZJLNJUMPWUHMNI-IAQYHMDHSA-N 2 1 382.348 3.535 20 0 GHADMP FC(F)(F)c1ccc(C(F)(F)F)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001235039378 1040534690 /nfs/dbraw/zinc/53/46/90/1040534690.db2.gz ZJLNJUMPWUHMNI-IAQYHMDHSA-N 2 1 382.348 3.535 20 0 GHADMP Brc1cccc2nc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)oc21 ZINC001235152934 1040645000 /nfs/dbraw/zinc/64/50/00/1040645000.db2.gz CUDWEAVPRJCAHC-INIZCTEOSA-N 2 1 378.314 3.944 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155701 1040649530 /nfs/dbraw/zinc/64/95/30/1040649530.db2.gz DSHRCDQCKYQXLE-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP Ic1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001235158073 1040650949 /nfs/dbraw/zinc/65/09/49/1040650949.db2.gz UFCOAMLXJFEWBR-QGZVFWFLSA-N 2 1 384.305 3.645 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235157373 1040652077 /nfs/dbraw/zinc/65/20/77/1040652077.db2.gz IQYIBKYQZKKZRA-SFHVURJKSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2c(c1)[nH]nc2C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235157373 1040652085 /nfs/dbraw/zinc/65/20/85/1040652085.db2.gz IQYIBKYQZKKZRA-SFHVURJKSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2c(c1)[nH]nc2C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235157373 1040652093 /nfs/dbraw/zinc/65/20/93/1040652093.db2.gz IQYIBKYQZKKZRA-SFHVURJKSA-N 2 1 377.330 3.680 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)C[C@@H]2C1 ZINC001254910711 1040661406 /nfs/dbraw/zinc/66/14/06/1040661406.db2.gz KUVBCUJQLLITST-WOZUAGRISA-N 2 1 391.600 3.972 20 0 GHADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cc(-c4ccsc4)cs3)CC[C@@H]21 ZINC001235182317 1040666003 /nfs/dbraw/zinc/66/60/03/1040666003.db2.gz ABDWMXPFNRPOEM-KPFFTGBYSA-N 2 1 399.589 3.663 20 0 GHADMP CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cc(-c4ccsc4)cs3)CC[C@@H]21 ZINC001235182317 1040666016 /nfs/dbraw/zinc/66/60/16/1040666016.db2.gz ABDWMXPFNRPOEM-KPFFTGBYSA-N 2 1 399.589 3.663 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cc(-c4ccsc4)cs3)CC[C@@H]21 ZINC001235182317 1040666025 /nfs/dbraw/zinc/66/60/25/1040666025.db2.gz ABDWMXPFNRPOEM-KPFFTGBYSA-N 2 1 399.589 3.663 20 0 GHADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cc(-c4ccsc4)cs3)CC[C@@H]21 ZINC001235182317 1040666034 /nfs/dbraw/zinc/66/60/34/1040666034.db2.gz ABDWMXPFNRPOEM-KPFFTGBYSA-N 2 1 399.589 3.663 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cc(-c4ccsc4)cs3)CC[C@@H]21 ZINC001235182317 1040666043 /nfs/dbraw/zinc/66/60/43/1040666043.db2.gz ABDWMXPFNRPOEM-KPFFTGBYSA-N 2 1 399.589 3.663 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cc(-c4ccsc4)cs3)CC[C@@H]21 ZINC001235182317 1040666053 /nfs/dbraw/zinc/66/60/53/1040666053.db2.gz ABDWMXPFNRPOEM-KPFFTGBYSA-N 2 1 399.589 3.663 20 0 GHADMP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](CC[C@@H]4C[NH2+]CCO4)C3)CCC2)cc1 ZINC001235177569 1040667877 /nfs/dbraw/zinc/66/78/77/1040667877.db2.gz QPKHDBRREXUDEV-XMMPIXPASA-N 3 1 399.623 3.913 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254980624 1040705250 /nfs/dbraw/zinc/70/52/50/1040705250.db2.gz BJHCXUPKRSTWLX-UFYCRDLUSA-N 2 1 379.589 3.827 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022073 1040734482 /nfs/dbraw/zinc/73/44/82/1040734482.db2.gz AVVNUHMVNDDJML-DEOSSOPVSA-N 2 1 391.559 3.552 20 0 GHADMP FC(F)(F)c1cc(Br)ccc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235336738 1040806705 /nfs/dbraw/zinc/80/67/05/1040806705.db2.gz ZWAGWAQCWZSDRK-UHFFFAOYSA-N 2 1 377.248 3.899 20 0 GHADMP COCc1cccc([C@H](CO)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255134346 1040832970 /nfs/dbraw/zinc/83/29/70/1040832970.db2.gz BBHWIGHLYSGJCK-XQUALCHDSA-N 2 1 380.532 3.652 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255134346 1040832986 /nfs/dbraw/zinc/83/29/86/1040832986.db2.gz BBHWIGHLYSGJCK-XQUALCHDSA-N 2 1 380.532 3.652 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)ccc1OC ZINC001235360606 1040846460 /nfs/dbraw/zinc/84/64/60/1040846460.db2.gz CIAKYDMXKAVIAS-XUZZJYLKSA-N 2 1 380.532 3.847 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)ccc1OC ZINC001235360606 1040846473 /nfs/dbraw/zinc/84/64/73/1040846473.db2.gz CIAKYDMXKAVIAS-XUZZJYLKSA-N 2 1 380.532 3.847 20 0 GHADMP CCN1CC[C@@]2(CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255142860 1040849654 /nfs/dbraw/zinc/84/96/54/1040849654.db2.gz KDLRHGDQFNXKBO-HOUBMWHVSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@@]2(CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255142860 1040849663 /nfs/dbraw/zinc/84/96/63/1040849663.db2.gz KDLRHGDQFNXKBO-HOUBMWHVSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255142860 1040849677 /nfs/dbraw/zinc/84/96/77/1040849677.db2.gz KDLRHGDQFNXKBO-HOUBMWHVSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255142860 1040849684 /nfs/dbraw/zinc/84/96/84/1040849684.db2.gz KDLRHGDQFNXKBO-HOUBMWHVSA-N 2 1 381.564 3.516 20 0 GHADMP Cc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255151191 1040872577 /nfs/dbraw/zinc/87/25/77/1040872577.db2.gz STMNJXMALUKEHY-NUNAXRQHSA-N 2 1 391.563 3.539 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001255151395 1040875677 /nfs/dbraw/zinc/87/56/77/1040875677.db2.gz YAVYWCKFTABLQL-CLAROIROSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001255151395 1040875695 /nfs/dbraw/zinc/87/56/95/1040875695.db2.gz YAVYWCKFTABLQL-CLAROIROSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(C)c1 ZINC001235372826 1040880870 /nfs/dbraw/zinc/88/08/70/1040880870.db2.gz VEBYQLBMESSPKF-VWNXMTODSA-N 2 1 377.532 3.707 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3ncc(Br)cc3c1)C2 ZINC001235400253 1040913253 /nfs/dbraw/zinc/91/32/53/1040913253.db2.gz CRVBRSWVPTVWJW-ZWKOTPCHSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3ncc(Br)cc3c1)C2 ZINC001235400253 1040913262 /nfs/dbraw/zinc/91/32/62/1040913262.db2.gz CRVBRSWVPTVWJW-ZWKOTPCHSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001235407427 1040918452 /nfs/dbraw/zinc/91/84/52/1040918452.db2.gz SEDDVKPDJXAPKP-IEBWSBKVSA-N 2 1 395.931 3.899 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001235407427 1040918463 /nfs/dbraw/zinc/91/84/63/1040918463.db2.gz SEDDVKPDJXAPKP-IEBWSBKVSA-N 2 1 395.931 3.899 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC001235427848 1040929265 /nfs/dbraw/zinc/92/92/65/1040929265.db2.gz UDKCQJLTIYKGGV-GJZGRUSLSA-N 2 1 397.357 3.678 20 0 GHADMP Brc1cc2[nH]cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235427661 1040929275 /nfs/dbraw/zinc/92/92/75/1040929275.db2.gz NVBUGXCICADWHQ-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)CC1CC[NH2+]CC1 ZINC001235433979 1040935852 /nfs/dbraw/zinc/93/58/52/1040935852.db2.gz UPNUOFXELCQPHG-UHFFFAOYSA-N 2 1 381.236 3.779 20 0 GHADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)Cc1cncc(Br)c1 ZINC001235479748 1040955025 /nfs/dbraw/zinc/95/50/25/1040955025.db2.gz RJQXQNWJAYWVAW-UHFFFAOYSA-N 2 1 385.309 3.534 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380461 1040971154 /nfs/dbraw/zinc/97/11/54/1040971154.db2.gz KLCZLNMDKLZWHZ-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255382054 1040973229 /nfs/dbraw/zinc/97/32/29/1040973229.db2.gz RVYODXXCUGLXSG-NJDAHSKKSA-N 2 1 387.568 3.934 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255382834 1040973803 /nfs/dbraw/zinc/97/38/03/1040973803.db2.gz XIJVUEBQZZLTHQ-IBGZPJMESA-N 2 1 391.531 3.590 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255382834 1040973807 /nfs/dbraw/zinc/97/38/07/1040973807.db2.gz XIJVUEBQZZLTHQ-IBGZPJMESA-N 2 1 391.531 3.590 20 0 GHADMP Fc1cccnc1O[C@H]1COC2(C1)CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001235534249 1040979433 /nfs/dbraw/zinc/97/94/33/1040979433.db2.gz LGARFWPAUYXOFQ-LJQANCHMSA-N 2 1 391.531 3.535 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255390991 1040979610 /nfs/dbraw/zinc/97/96/10/1040979610.db2.gz MLRGTCVJYDQXKT-QHCPKHFHSA-N 2 1 380.532 3.937 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255391686 1040980391 /nfs/dbraw/zinc/98/03/91/1040980391.db2.gz BLFXSVJTCMOTBU-QHCPKHFHSA-N 2 1 393.575 4.000 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](NCc3cc(OCC4CCC4)ncn3)CC2)cc1 ZINC001255394062 1040981200 /nfs/dbraw/zinc/98/12/00/1040981200.db2.gz VTKHCSXMDRDQGP-NRFANRHFSA-N 2 1 380.536 3.800 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255395415 1040981822 /nfs/dbraw/zinc/98/18/22/1040981822.db2.gz ACLDYOBDWIBOAM-SFTDATJTSA-N 2 1 380.532 3.988 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001235558402 1040987106 /nfs/dbraw/zinc/98/71/06/1040987106.db2.gz JBMILYDEDURCSB-NZSAHSFTSA-N 2 1 393.597 3.805 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001235558402 1040987108 /nfs/dbraw/zinc/98/71/08/1040987108.db2.gz JBMILYDEDURCSB-NZSAHSFTSA-N 2 1 393.597 3.805 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001235558402 1040987110 /nfs/dbraw/zinc/98/71/10/1040987110.db2.gz JBMILYDEDURCSB-NZSAHSFTSA-N 2 1 393.597 3.805 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001235558402 1040987111 /nfs/dbraw/zinc/98/71/11/1040987111.db2.gz JBMILYDEDURCSB-NZSAHSFTSA-N 2 1 393.597 3.805 20 0 GHADMP CCOc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1CC ZINC001235559394 1040988228 /nfs/dbraw/zinc/98/82/28/1040988228.db2.gz ZNNAZPZZYNFACT-UHFFFAOYSA-N 2 1 382.552 3.892 20 0 GHADMP CCOc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1CC ZINC001235559394 1040988230 /nfs/dbraw/zinc/98/82/30/1040988230.db2.gz ZNNAZPZZYNFACT-UHFFFAOYSA-N 2 1 382.552 3.892 20 0 GHADMP O=C1CCC2(CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)N1CC1CC1 ZINC001255402888 1040989461 /nfs/dbraw/zinc/98/94/61/1040989461.db2.gz PRBOOGYIJRQMJT-QHCPKHFHSA-N 2 1 395.591 3.908 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255403240 1040989582 /nfs/dbraw/zinc/98/95/82/1040989582.db2.gz BXFTXJHVABAFMR-UPVQGACJSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403240 1040989585 /nfs/dbraw/zinc/98/95/85/1040989585.db2.gz BXFTXJHVABAFMR-UPVQGACJSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403240 1040989586 /nfs/dbraw/zinc/98/95/86/1040989586.db2.gz BXFTXJHVABAFMR-UPVQGACJSA-N 2 1 385.596 3.616 20 0 GHADMP c1ccc(C[NH+]2CC3(CN([C@H]4CCC[N@@H+](Cc5ccccc5)CC4)C3)C2)cc1 ZINC001255402879 1040990012 /nfs/dbraw/zinc/99/00/12/1040990012.db2.gz BLPDGSBMJIIPKF-DEOSSOPVSA-N 2 1 375.560 3.859 20 0 GHADMP O=C(C1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)N1CCCCC1 ZINC001255403923 1040991253 /nfs/dbraw/zinc/99/12/53/1040991253.db2.gz HEIFIAISTCYSLR-HSZRJFAPSA-N 2 1 383.580 3.766 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408875 1040996022 /nfs/dbraw/zinc/99/60/22/1040996022.db2.gz DMZJPIVAMGNRJL-PCCBWWKXSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408875 1040996032 /nfs/dbraw/zinc/99/60/32/1040996032.db2.gz DMZJPIVAMGNRJL-PCCBWWKXSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408875 1040996036 /nfs/dbraw/zinc/99/60/36/1040996036.db2.gz DMZJPIVAMGNRJL-PCCBWWKXSA-N 2 1 385.552 3.592 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc(C[NH3+])c2)CC3)c1 ZINC001235590990 1041005136 /nfs/dbraw/zinc/00/51/36/1041005136.db2.gz HWMUXXRXWZMRKB-UHFFFAOYSA-N 3 1 379.548 3.642 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)CC[C@@H]21 ZINC001235634927 1041069316 /nfs/dbraw/zinc/06/93/16/1041069316.db2.gz BNOHAMIQNSPMHU-ROPHOZQPSA-N 2 1 377.523 3.811 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)CC[C@@H]21 ZINC001235634927 1041069341 /nfs/dbraw/zinc/06/93/41/1041069341.db2.gz BNOHAMIQNSPMHU-ROPHOZQPSA-N 2 1 377.523 3.811 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235689475 1041160433 /nfs/dbraw/zinc/16/04/33/1041160433.db2.gz UBHLEWLIRSXUSA-UHFFFAOYSA-N 2 1 393.510 3.974 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[NH+]1CCN(C2CC[NH2+]CC2)CC1 ZINC001235703395 1041181896 /nfs/dbraw/zinc/18/18/96/1041181896.db2.gz RIAHZXDQJWXCKC-UHFFFAOYSA-N 2 1 384.955 3.580 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255675917 1041207770 /nfs/dbraw/zinc/20/77/70/1041207770.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 3 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255675917 1041207792 /nfs/dbraw/zinc/20/77/92/1041207792.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 3 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255675917 1041207813 /nfs/dbraw/zinc/20/78/13/1041207813.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 3 1 382.596 3.773 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255675917 1041207832 /nfs/dbraw/zinc/20/78/32/1041207832.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 2 1 382.596 3.773 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255675917 1041207843 /nfs/dbraw/zinc/20/78/43/1041207843.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 2 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255675917 1041207862 /nfs/dbraw/zinc/20/78/62/1041207862.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 2 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255675917 1041207878 /nfs/dbraw/zinc/20/78/78/1041207878.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 2 1 382.596 3.773 20 0 GHADMP Cc1ccc(SC[C@@H](C)[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001255765341 1041280737 /nfs/dbraw/zinc/28/07/37/1041280737.db2.gz KUBFBBQYPSWENA-LJQANCHMSA-N 2 1 384.593 3.826 20 0 GHADMP C[C@H](CS(=O)(=O)c1ccccc1)[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255809011 1041314729 /nfs/dbraw/zinc/31/47/29/1041314729.db2.gz XGRTUTOIYWRQAC-QWFCFKBJSA-N 2 1 378.582 3.753 20 0 GHADMP Clc1ccccc1[C@H]1CC[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001235825032 1041345527 /nfs/dbraw/zinc/34/55/27/1041345527.db2.gz HCODGMVGJBXXLH-SFHVURJKSA-N 2 1 395.938 3.839 20 0 GHADMP C[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1ccccc1C(F)(F)F ZINC001235839243 1041365021 /nfs/dbraw/zinc/36/50/21/1041365021.db2.gz OTWJBEAHLPUEFV-UHFFFAOYSA-N 2 1 377.454 3.743 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001255904172 1041385820 /nfs/dbraw/zinc/38/58/20/1041385820.db2.gz ZOBYUGATMZDATM-GOSISDBHSA-N 2 1 393.959 3.989 20 0 GHADMP Cc1nc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](C)C[C@@H]4COCC3CC3)ccc2s1 ZINC001235859755 1041389940 /nfs/dbraw/zinc/38/99/40/1041389940.db2.gz MKPFTVQTPZKZTQ-DENIHFKCSA-N 2 1 385.577 3.785 20 0 GHADMP Cc1nc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)ccc2s1 ZINC001235859755 1041389963 /nfs/dbraw/zinc/38/99/63/1041389963.db2.gz MKPFTVQTPZKZTQ-DENIHFKCSA-N 2 1 385.577 3.785 20 0 GHADMP Cc1nc2cc(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)ccc2s1 ZINC001235859755 1041389970 /nfs/dbraw/zinc/38/99/70/1041389970.db2.gz MKPFTVQTPZKZTQ-DENIHFKCSA-N 2 1 385.577 3.785 20 0 GHADMP Cc1nc2cc(C[N@@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)ccc2s1 ZINC001235859755 1041389984 /nfs/dbraw/zinc/38/99/84/1041389984.db2.gz MKPFTVQTPZKZTQ-DENIHFKCSA-N 2 1 385.577 3.785 20 0 GHADMP CC[C@H]([NH3+])CN1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235868146 1041400969 /nfs/dbraw/zinc/40/09/69/1041400969.db2.gz UZNYAAUKQLRFDL-QHCPKHFHSA-N 2 1 381.564 3.538 20 0 GHADMP Cc1ccc(-c2noc(C3CC[NH+](C[C@@H]4[C@H](C)C[NH2+]CC4(F)F)CC3)n2)cc1 ZINC001235934812 1041437307 /nfs/dbraw/zinc/43/73/07/1041437307.db2.gz NWIKGFKBXOCQSZ-CRAIPNDOSA-N 2 1 390.478 3.715 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001255960950 1041440429 /nfs/dbraw/zinc/44/04/29/1041440429.db2.gz KABVZOUZCMWTPP-SFTDATJTSA-N 2 1 389.584 3.700 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001255964452 1041443777 /nfs/dbraw/zinc/44/37/77/1041443777.db2.gz YHRINMUIXDXXCP-ICSRJNTNSA-N 2 1 380.527 3.740 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001255964452 1041443785 /nfs/dbraw/zinc/44/37/85/1041443785.db2.gz YHRINMUIXDXXCP-ICSRJNTNSA-N 2 1 380.527 3.740 20 0 GHADMP COCCC[N@H+](Cc1c(C)nc2ccc(-c3ccccc3)cn21)C1CC[NH2+]CC1 ZINC001235940427 1041445598 /nfs/dbraw/zinc/44/55/98/1041445598.db2.gz RSZWYVNKBVDEMG-UHFFFAOYSA-N 2 1 392.547 3.900 20 0 GHADMP COCCC[N@@H+](Cc1c(C)nc2ccc(-c3ccccc3)cn21)C1CC[NH2+]CC1 ZINC001235940427 1041445621 /nfs/dbraw/zinc/44/56/21/1041445621.db2.gz RSZWYVNKBVDEMG-UHFFFAOYSA-N 2 1 392.547 3.900 20 0 GHADMP C[N@@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956172 1041463278 /nfs/dbraw/zinc/46/32/78/1041463278.db2.gz AIYQLWRVMZBMGS-NSHDSACASA-N 2 1 381.236 3.779 20 0 GHADMP C[N@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235956172 1041463282 /nfs/dbraw/zinc/46/32/82/1041463282.db2.gz AIYQLWRVMZBMGS-NSHDSACASA-N 2 1 381.236 3.779 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235975252 1041478793 /nfs/dbraw/zinc/47/87/93/1041478793.db2.gz SVFCEQOZBSSAJS-UHFFFAOYSA-N 2 1 392.543 3.933 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1OC1CCCC1 ZINC001236008245 1041499628 /nfs/dbraw/zinc/49/96/28/1041499628.db2.gz CNIKIHSPKJWFNQ-BWKNWUBXSA-N 2 1 392.543 3.990 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1OC1CCCC1 ZINC001236008245 1041499646 /nfs/dbraw/zinc/49/96/46/1041499646.db2.gz CNIKIHSPKJWFNQ-BWKNWUBXSA-N 2 1 392.543 3.990 20 0 GHADMP COc1cc(OC)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c2ccccc12 ZINC001236019390 1041509941 /nfs/dbraw/zinc/50/99/41/1041509941.db2.gz XFVUBCQINVVEDL-CLOONOSVSA-N 2 1 388.511 3.830 20 0 GHADMP Cn1c2ccccc2c(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)c1-c1ccccc1 ZINC001236078084 1041524247 /nfs/dbraw/zinc/52/42/47/1041524247.db2.gz FTUNKCYWEYYSHY-NRFANRHFSA-N 2 1 388.559 3.700 20 0 GHADMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](Cc3ccccc3Oc3ccc(Cl)cc3)C2)C1 ZINC001236081043 1041525412 /nfs/dbraw/zinc/52/54/12/1041525412.db2.gz WZVMFTCCSYXOEC-HXUWFJFHSA-N 2 1 385.939 3.987 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001236146161 1041570402 /nfs/dbraw/zinc/57/04/02/1041570402.db2.gz XPYZJXCHGQPSBM-QFIPXVFZSA-N 2 1 385.596 3.761 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CN2CCC1CC2 ZINC001236157796 1041580695 /nfs/dbraw/zinc/58/06/95/1041580695.db2.gz JNJZAQAAHOGTNR-KBMIEXCESA-N 2 1 375.560 3.990 20 0 GHADMP C[C@H](c1ccccc1)N(Cc1ccc2c(c1)CC[NH2+]C2)[C@@H]1C[NH+]2CCC1CC2 ZINC001236157796 1041580708 /nfs/dbraw/zinc/58/07/08/1041580708.db2.gz JNJZAQAAHOGTNR-KBMIEXCESA-N 2 1 375.560 3.990 20 0 GHADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3c[nH]c4ccccc34)cn2)CC1 ZINC001236193758 1041612098 /nfs/dbraw/zinc/61/20/98/1041612098.db2.gz SWDRPVYYMFDFOO-QFIPXVFZSA-N 2 1 375.520 3.652 20 0 GHADMP COC(=O)c1cccc2n[nH]c(C[N@@H+](Cc3ccccc3)C3CCC([NH3+])CC3)c21 ZINC001236228678 1041633585 /nfs/dbraw/zinc/63/35/85/1041633585.db2.gz OOIVSRDAUVXLMI-UHFFFAOYSA-N 2 1 392.503 3.622 20 0 GHADMP COC(=O)c1cccc2[nH]nc(C[N@H+](Cc3ccccc3)C3CCC([NH3+])CC3)c21 ZINC001236228678 1041633604 /nfs/dbraw/zinc/63/36/04/1041633604.db2.gz OOIVSRDAUVXLMI-UHFFFAOYSA-N 2 1 392.503 3.622 20 0 GHADMP COC(=O)c1cccc2[nH]nc(C[N@@H+](Cc3ccccc3)C3CCC([NH3+])CC3)c21 ZINC001236228678 1041633613 /nfs/dbraw/zinc/63/36/13/1041633613.db2.gz OOIVSRDAUVXLMI-UHFFFAOYSA-N 2 1 392.503 3.622 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(OCc2ccccc2)cc1OC ZINC001236316341 1041668847 /nfs/dbraw/zinc/66/88/47/1041668847.db2.gz RCMBUYMBGGBETJ-BGYRXZFFSA-N 2 1 396.531 3.714 20 0 GHADMP FC(F)(F)Oc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322108 1041670567 /nfs/dbraw/zinc/67/05/67/1041670567.db2.gz PTKUWWVAMDBWKB-BETUJISGSA-N 2 1 393.247 3.779 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(Cl)cn1 ZINC001236385675 1041693350 /nfs/dbraw/zinc/69/33/50/1041693350.db2.gz ZQILODCEVFKTEK-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(Cl)cn1 ZINC001236385675 1041693351 /nfs/dbraw/zinc/69/33/51/1041693351.db2.gz ZQILODCEVFKTEK-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN(Cc3ccncc3)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236438187 1041711141 /nfs/dbraw/zinc/71/11/41/1041711141.db2.gz SDEXBYGYVZQAHZ-DNQXCXABSA-N 2 1 378.564 3.548 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236447599 1041716767 /nfs/dbraw/zinc/71/67/67/1041716767.db2.gz URBCKNWKTCARDJ-UHFFFAOYSA-N 2 1 396.531 3.555 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236447599 1041716773 /nfs/dbraw/zinc/71/67/73/1041716773.db2.gz URBCKNWKTCARDJ-UHFFFAOYSA-N 2 1 396.531 3.555 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CC1 ZINC001236454076 1041718982 /nfs/dbraw/zinc/71/89/82/1041718982.db2.gz VDJKIXUTTYQIDV-SAABIXHNSA-N 2 1 378.944 3.873 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc(OC)cc2C)C2CC[NH2+]CC2)c1 ZINC001236464526 1041725708 /nfs/dbraw/zinc/72/57/08/1041725708.db2.gz HMEIMEFYPFWLQQ-UHFFFAOYSA-N 2 1 382.504 3.544 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc(OC)cc2C)C2CC[NH2+]CC2)c1 ZINC001236464526 1041725715 /nfs/dbraw/zinc/72/57/15/1041725715.db2.gz HMEIMEFYPFWLQQ-UHFFFAOYSA-N 2 1 382.504 3.544 20 0 GHADMP COC(=O)c1cccc(C[N@H+](C[C@H](C)OCc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236465386 1041727078 /nfs/dbraw/zinc/72/70/78/1041727078.db2.gz SDRPXHPHHBWXPT-IBGZPJMESA-N 2 1 396.531 3.633 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C[C@H](C)OCc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236465386 1041727083 /nfs/dbraw/zinc/72/70/83/1041727083.db2.gz SDRPXHPHHBWXPT-IBGZPJMESA-N 2 1 396.531 3.633 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2c[nH]c3ccc(F)cc23)C2CC[NH2+]CC2)c1 ZINC001236464960 1041727242 /nfs/dbraw/zinc/72/72/42/1041727242.db2.gz MRPPKGWVTFFAEZ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2c[nH]c3ccc(F)cc23)C2CC[NH2+]CC2)c1 ZINC001236464960 1041727248 /nfs/dbraw/zinc/72/72/48/1041727248.db2.gz MRPPKGWVTFFAEZ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3ccoc32)C2CC[NH2+]CC2)c1 ZINC001236466543 1041728361 /nfs/dbraw/zinc/72/83/61/1041728361.db2.gz KASXHPGIOPBTNH-UHFFFAOYSA-N 2 1 378.472 3.974 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3ccoc32)C2CC[NH2+]CC2)c1 ZINC001236466543 1041728365 /nfs/dbraw/zinc/72/83/65/1041728365.db2.gz KASXHPGIOPBTNH-UHFFFAOYSA-N 2 1 378.472 3.974 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236483971 1041735301 /nfs/dbraw/zinc/73/53/01/1041735301.db2.gz SZVYJTUZHOMBKH-UHFFFAOYSA-N 2 1 398.522 3.994 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236483971 1041735308 /nfs/dbraw/zinc/73/53/08/1041735308.db2.gz SZVYJTUZHOMBKH-UHFFFAOYSA-N 2 1 398.522 3.994 20 0 GHADMP Fc1cc(C[N@@H+](CC[C@H]2CCC[NH2+]C2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001236491026 1041738168 /nfs/dbraw/zinc/73/81/68/1041738168.db2.gz NSVDEEBXCSQGFG-OAHLLOKOSA-N 3 1 387.465 3.788 20 0 GHADMP Fc1cc(CN(CC[C@H]2CCC[NH2+]C2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001236491026 1041738171 /nfs/dbraw/zinc/73/81/71/1041738171.db2.gz NSVDEEBXCSQGFG-OAHLLOKOSA-N 2 1 387.465 3.788 20 0 GHADMP COc1ccc(CC[N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)cc1OC ZINC001236501958 1041742802 /nfs/dbraw/zinc/74/28/02/1041742802.db2.gz KVMUDMGXDWYCSI-UHFFFAOYSA-N 2 1 390.474 3.779 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)cc1OC ZINC001236501958 1041742806 /nfs/dbraw/zinc/74/28/06/1041742806.db2.gz KVMUDMGXDWYCSI-UHFFFAOYSA-N 2 1 390.474 3.779 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256463403 1041744324 /nfs/dbraw/zinc/74/43/24/1041744324.db2.gz PFZLKGXJBAOAMR-APWZRJJASA-N 2 1 391.531 3.864 20 0 GHADMP COc1ccc(C[N@@H+](CCc2cc(F)cc(F)c2)C2CC[NH2+]CC2)cc1F ZINC001236517201 1041750663 /nfs/dbraw/zinc/75/06/63/1041750663.db2.gz QUHZMBMOAUCONH-UHFFFAOYSA-N 2 1 378.438 3.909 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256479341 1041754204 /nfs/dbraw/zinc/75/42/04/1041754204.db2.gz IUNYDCWOURJRNY-PSWRPDDJSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256479341 1041754211 /nfs/dbraw/zinc/75/42/11/1041754211.db2.gz IUNYDCWOURJRNY-PSWRPDDJSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256479341 1041754220 /nfs/dbraw/zinc/75/42/20/1041754220.db2.gz IUNYDCWOURJRNY-PSWRPDDJSA-N 2 1 399.579 3.838 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001236535837 1041755327 /nfs/dbraw/zinc/75/53/27/1041755327.db2.gz MABHPIPDOFXSBU-SFHVURJKSA-N 2 1 386.565 3.665 20 0 GHADMP COCCCOc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236542135 1041756521 /nfs/dbraw/zinc/75/65/21/1041756521.db2.gz XYFRHBQVJQTXJA-MEMLXQNLSA-N 2 1 390.568 3.983 20 0 GHADMP COc1ccc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)n1 ZINC001236543481 1041757725 /nfs/dbraw/zinc/75/77/25/1041757725.db2.gz VISYSIXKDRLPEL-WKILWMFISA-N 2 1 382.346 3.725 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc(OC)c2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543539 1041757851 /nfs/dbraw/zinc/75/78/51/1041757851.db2.gz YBRSQZQSRBTHJI-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP CCOc1ncc(Br)cc1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554831 1041760294 /nfs/dbraw/zinc/76/02/94/1041760294.db2.gz XODFGDUSAWVGRX-QAQDUYKDSA-N 2 1 384.362 3.971 20 0 GHADMP COC(=O)COc1ccccc1C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236558547 1041762710 /nfs/dbraw/zinc/76/27/10/1041762710.db2.gz WXQOUARPGGERTK-HZCBDIJESA-N 2 1 396.531 3.819 20 0 GHADMP Brc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1-n1ccnc1 ZINC001236601592 1041775508 /nfs/dbraw/zinc/77/55/08/1041775508.db2.gz NFNSWCBQXQOFCO-MRXNPFEDSA-N 2 1 389.341 3.599 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001236603051 1041776310 /nfs/dbraw/zinc/77/63/10/1041776310.db2.gz SKNYWVYQGCGDBH-UHFFFAOYSA-N 2 1 394.350 3.547 20 0 GHADMP CCC[N@@H+](Cc1c2cc(Cl)ccc2[nH]c1C(=O)OCC)C[C@H]1CC[NH2+]C1 ZINC001236843516 1041925495 /nfs/dbraw/zinc/92/54/95/1041925495.db2.gz PHOSKWWZBYCPQV-AWEZNQCLSA-N 2 1 377.916 3.820 20 0 GHADMP CCC[N@H+](Cc1c2cc(Cl)ccc2[nH]c1C(=O)OCC)C[C@H]1CC[NH2+]C1 ZINC001236843516 1041925497 /nfs/dbraw/zinc/92/54/97/1041925497.db2.gz PHOSKWWZBYCPQV-AWEZNQCLSA-N 2 1 377.916 3.820 20 0 GHADMP CC[C@H](N)C[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001236860532 1041931839 /nfs/dbraw/zinc/93/18/39/1041931839.db2.gz QSFNCFAJTUERKR-NRFANRHFSA-N 2 1 389.584 3.523 20 0 GHADMP CC[C@H]([NH3+])CN(C)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001236860532 1041931841 /nfs/dbraw/zinc/93/18/41/1041931841.db2.gz QSFNCFAJTUERKR-NRFANRHFSA-N 2 1 389.584 3.523 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC001236898975 1041945355 /nfs/dbraw/zinc/94/53/55/1041945355.db2.gz QDZROZWZAKPVSE-UHFFFAOYSA-N 2 1 381.911 3.968 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001236919115 1041958774 /nfs/dbraw/zinc/95/87/74/1041958774.db2.gz UBJYKXUJUPOZTN-UHFFFAOYSA-N 2 1 381.911 3.968 20 0 GHADMP Fc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1N1CCOCC1 ZINC001236957511 1041969185 /nfs/dbraw/zinc/96/91/85/1041969185.db2.gz IIUVISUMSCEIDR-HXUWFJFHSA-N 2 1 375.532 3.503 20 0 GHADMP Fc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1N1CCOCC1 ZINC001236957511 1041969187 /nfs/dbraw/zinc/96/91/87/1041969187.db2.gz IIUVISUMSCEIDR-HXUWFJFHSA-N 2 1 375.532 3.503 20 0 GHADMP C[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001236962205 1041970672 /nfs/dbraw/zinc/97/06/72/1041970672.db2.gz ZUWLAKFYXLHDFR-JOCHJYFZSA-N 2 1 397.538 3.616 20 0 GHADMP C[N@H+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001236962205 1041970674 /nfs/dbraw/zinc/97/06/74/1041970674.db2.gz ZUWLAKFYXLHDFR-JOCHJYFZSA-N 2 1 397.538 3.616 20 0 GHADMP C[NH+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001236962205 1041970677 /nfs/dbraw/zinc/97/06/77/1041970677.db2.gz ZUWLAKFYXLHDFR-JOCHJYFZSA-N 2 1 397.538 3.616 20 0 GHADMP C[NH+](Cc1ccc(F)c(N2CCOCC2)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001236962205 1041970681 /nfs/dbraw/zinc/97/06/81/1041970681.db2.gz ZUWLAKFYXLHDFR-JOCHJYFZSA-N 2 1 397.538 3.616 20 0 GHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cn3c4c2cccc4C[NH2+]CC3)cc1 ZINC001237041660 1042001782 /nfs/dbraw/zinc/00/17/82/1042001782.db2.gz IWTNMOHYBCEOMC-JOCHJYFZSA-N 2 1 389.499 3.868 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccnc5c(Cl)cccc45)C[C@@H]3C2)cn1 ZINC001237142830 1042061508 /nfs/dbraw/zinc/06/15/08/1042061508.db2.gz KKCBDGXNUUJWOA-MJGOQNOKSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccnc5c(Cl)cccc45)C[C@@H]3C2)cn1 ZINC001237142830 1042061515 /nfs/dbraw/zinc/06/15/15/1042061515.db2.gz KKCBDGXNUUJWOA-MJGOQNOKSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccnc5c(Cl)cccc45)C[C@@H]3C2)cn1 ZINC001237142830 1042061521 /nfs/dbraw/zinc/06/15/21/1042061521.db2.gz KKCBDGXNUUJWOA-MJGOQNOKSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccnc5c(Cl)cccc45)C[C@@H]3C2)cn1 ZINC001237142830 1042061527 /nfs/dbraw/zinc/06/15/27/1042061527.db2.gz KKCBDGXNUUJWOA-MJGOQNOKSA-N 2 1 395.938 3.576 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3Cc4ccccc4C34CC[NH2+]CC4)CC2)cc1 ZINC001237300635 1042132909 /nfs/dbraw/zinc/13/29/09/1042132909.db2.gz OWHIYUOYOCHHNS-UHFFFAOYSA-N 3 1 375.560 3.993 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3Cc4ccccc4C34CC[NH2+]CC4)CC2)cc1 ZINC001237300635 1042132910 /nfs/dbraw/zinc/13/29/10/1042132910.db2.gz OWHIYUOYOCHHNS-UHFFFAOYSA-N 3 1 375.560 3.993 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)CCC12C[NH2+]C2 ZINC001237430846 1042205121 /nfs/dbraw/zinc/20/51/21/1042205121.db2.gz NQNNXIKPBPOSIK-FQEVSTJZSA-N 2 1 398.934 3.982 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(Cl)n1 ZINC001237795872 1042374095 /nfs/dbraw/zinc/37/40/95/1042374095.db2.gz RUFXQQJNMRCZNQ-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cc21 ZINC001237876985 1042405276 /nfs/dbraw/zinc/40/52/76/1042405276.db2.gz LCNHAGVCAPPYCH-VXKWHMMOSA-N 2 1 388.559 3.647 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4CN(c5ccsc5)C(=O)[C@H]4C3)cc21 ZINC001237882699 1042408750 /nfs/dbraw/zinc/40/87/50/1042408750.db2.gz SYPSOJVPBVEXFY-RXVVDRJESA-N 2 1 393.556 3.844 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2ccccc21 ZINC001237888814 1042411176 /nfs/dbraw/zinc/41/11/76/1042411176.db2.gz FFBJGRHTIANEKW-JOCHJYFZSA-N 2 1 376.500 3.960 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2ccccc21 ZINC001237888814 1042411177 /nfs/dbraw/zinc/41/11/77/1042411177.db2.gz FFBJGRHTIANEKW-JOCHJYFZSA-N 2 1 376.500 3.960 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)ccc1C ZINC001238075843 1042482798 /nfs/dbraw/zinc/48/27/98/1042482798.db2.gz ZTEQXRWUNODMCI-VJBWXMMDSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)ccc1C ZINC001238075843 1042482801 /nfs/dbraw/zinc/48/28/01/1042482801.db2.gz ZTEQXRWUNODMCI-VJBWXMMDSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1C ZINC001238075843 1042482803 /nfs/dbraw/zinc/48/28/03/1042482803.db2.gz ZTEQXRWUNODMCI-VJBWXMMDSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1C ZINC001238075843 1042482807 /nfs/dbraw/zinc/48/28/07/1042482807.db2.gz ZTEQXRWUNODMCI-VJBWXMMDSA-N 2 1 396.579 3.964 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(O)c(OCc3ccccc3)c2)CC1 ZINC001238259805 1042535643 /nfs/dbraw/zinc/53/56/43/1042535643.db2.gz SOSOEFPWQQFGIC-UHFFFAOYSA-N 2 1 389.499 3.997 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(Br)cn1 ZINC001238401663 1042585238 /nfs/dbraw/zinc/58/52/38/1042585238.db2.gz IDTGUFQJTASMDA-UHFFFAOYSA-N 2 1 396.373 3.797 20 0 GHADMP CCOc1ncc(Br)cc1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001238435084 1042595546 /nfs/dbraw/zinc/59/55/46/1042595546.db2.gz DHHNOQUMLBGSKB-UHFFFAOYSA-N 2 1 384.362 3.795 20 0 GHADMP CC[NH+](CC)Cc1cc(OC)ccc1-c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001240415649 1042927764 /nfs/dbraw/zinc/92/77/64/1042927764.db2.gz ZGUCRPMKJHXKME-UHFFFAOYSA-N 2 1 381.564 3.951 20 0 GHADMP CC[N@H+]1CC=C(c2cnc(-c3ccc(C[NH+]4CCOCC4)cc3)c(C)c2)CC1 ZINC001240474586 1042934083 /nfs/dbraw/zinc/93/40/83/1042934083.db2.gz HKTDPQSXRMYXCQ-UHFFFAOYSA-N 2 1 377.532 3.998 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3ccc(C[NH+]4CCOCC4)cc3)c(C)c2)CC1 ZINC001240474586 1042934086 /nfs/dbraw/zinc/93/40/86/1042934086.db2.gz HKTDPQSXRMYXCQ-UHFFFAOYSA-N 2 1 377.532 3.998 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001291472285 1043286641 /nfs/dbraw/zinc/28/66/41/1043286641.db2.gz OGRKIGFELXMDLL-SLFFLAALSA-N 2 1 392.636 3.829 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525463 1043453135 /nfs/dbraw/zinc/45/31/35/1043453135.db2.gz ZVINCHNBCIZHQC-YHELAOLJSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525463 1043453142 /nfs/dbraw/zinc/45/31/42/1043453142.db2.gz ZVINCHNBCIZHQC-YHELAOLJSA-N 2 1 387.568 3.885 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256529730 1043461559 /nfs/dbraw/zinc/46/15/59/1043461559.db2.gz WLOMDIXUXATYDJ-XXBNENTESA-N 2 1 380.532 3.935 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256529730 1043461563 /nfs/dbraw/zinc/46/15/63/1043461563.db2.gz WLOMDIXUXATYDJ-XXBNENTESA-N 2 1 380.532 3.935 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530673 1043464795 /nfs/dbraw/zinc/46/47/95/1043464795.db2.gz DBQAAVLHWJOSBD-UGKGYDQZSA-N 2 1 385.596 3.709 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530673 1043464811 /nfs/dbraw/zinc/46/48/11/1043464811.db2.gz DBQAAVLHWJOSBD-UGKGYDQZSA-N 2 1 385.596 3.709 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256535014 1043472506 /nfs/dbraw/zinc/47/25/06/1043472506.db2.gz WFVABARANKPKPP-XXBNENTESA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256535014 1043472540 /nfs/dbraw/zinc/47/25/40/1043472540.db2.gz WFVABARANKPKPP-XXBNENTESA-N 2 1 380.532 3.935 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256534992 1043473375 /nfs/dbraw/zinc/47/33/75/1043473375.db2.gz VVWMZUOFQFVJOG-KNQAVFIVSA-N 2 1 392.547 3.741 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256534992 1043473381 /nfs/dbraw/zinc/47/33/81/1043473381.db2.gz VVWMZUOFQFVJOG-KNQAVFIVSA-N 2 1 392.547 3.741 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536701 1043481116 /nfs/dbraw/zinc/48/11/16/1043481116.db2.gz FLOKMQKQVYJTGU-BZNRXQDOSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256536701 1043481125 /nfs/dbraw/zinc/48/11/25/1043481125.db2.gz FLOKMQKQVYJTGU-BZNRXQDOSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536701 1043481133 /nfs/dbraw/zinc/48/11/33/1043481133.db2.gz FLOKMQKQVYJTGU-BZNRXQDOSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536701 1043481138 /nfs/dbraw/zinc/48/11/38/1043481138.db2.gz FLOKMQKQVYJTGU-BZNRXQDOSA-N 2 1 375.516 3.707 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256544623 1043498850 /nfs/dbraw/zinc/49/88/50/1043498850.db2.gz ZTLYGGJZHXSUHM-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256544623 1043498856 /nfs/dbraw/zinc/49/88/56/1043498856.db2.gz ZTLYGGJZHXSUHM-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256544623 1043498866 /nfs/dbraw/zinc/49/88/66/1043498866.db2.gz ZTLYGGJZHXSUHM-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256544623 1043498877 /nfs/dbraw/zinc/49/88/77/1043498877.db2.gz ZTLYGGJZHXSUHM-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCc3ncnc(C4CC4)c3CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256545807 1043504078 /nfs/dbraw/zinc/50/40/78/1043504078.db2.gz HYGGWWJAESQKSC-RXVVDRJESA-N 2 1 376.548 3.808 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCc3ncnc(C4CC4)c3CC2)CC[N@H+]1Cc1ccccc1 ZINC001256545807 1043504092 /nfs/dbraw/zinc/50/40/92/1043504092.db2.gz HYGGWWJAESQKSC-RXVVDRJESA-N 2 1 376.548 3.808 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CCc3ncnc(C4CC4)c3CC2)CC[NH+]1Cc1ccccc1 ZINC001256545807 1043504097 /nfs/dbraw/zinc/50/40/97/1043504097.db2.gz HYGGWWJAESQKSC-RXVVDRJESA-N 2 1 376.548 3.808 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CCc3ncnc(C4CC4)c3CC2)CC[NH+]1Cc1ccccc1 ZINC001256545807 1043504108 /nfs/dbraw/zinc/50/41/08/1043504108.db2.gz HYGGWWJAESQKSC-RXVVDRJESA-N 2 1 376.548 3.808 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548524 1043508960 /nfs/dbraw/zinc/50/89/60/1043508960.db2.gz YOGGEPJINSCSCH-UEVCKROQSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548524 1043508962 /nfs/dbraw/zinc/50/89/62/1043508962.db2.gz YOGGEPJINSCSCH-UEVCKROQSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548523 1043509262 /nfs/dbraw/zinc/50/92/62/1043509262.db2.gz YOGGEPJINSCSCH-PTUXOGIPSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548523 1043509275 /nfs/dbraw/zinc/50/92/75/1043509275.db2.gz YOGGEPJINSCSCH-PTUXOGIPSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@H]1C[C@H](n2nc(C(F)(F)F)c3c2C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001256552542 1043519143 /nfs/dbraw/zinc/51/91/43/1043519143.db2.gz BQXQKRPLZOLCHC-GOEBONIOSA-N 2 1 378.442 3.773 20 0 GHADMP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001256558400 1043530315 /nfs/dbraw/zinc/53/03/15/1043530315.db2.gz RRQUAWYXHQXDHQ-WMZHIEFXSA-N 2 1 394.563 3.702 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)ncn1 ZINC001256558993 1043533161 /nfs/dbraw/zinc/53/31/61/1043533161.db2.gz XKBRXMREOQMGJG-TZIWHRDSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)ncn1 ZINC001256558993 1043533168 /nfs/dbraw/zinc/53/31/68/1043533168.db2.gz XKBRXMREOQMGJG-TZIWHRDSSA-N 2 1 380.536 3.681 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCc4ccccc4[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256560668 1043535436 /nfs/dbraw/zinc/53/54/36/1043535436.db2.gz SBYBTJHSUJXKRB-PBXXJUDPSA-N 2 1 375.560 3.955 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256609365 1043573779 /nfs/dbraw/zinc/57/37/79/1043573779.db2.gz NHACGLNPYCERRQ-SFTDATJTSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256609365 1043573787 /nfs/dbraw/zinc/57/37/87/1043573787.db2.gz NHACGLNPYCERRQ-SFTDATJTSA-N 2 1 399.579 3.840 20 0 GHADMP Clc1ccc(CO[C@@H]2CCC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256695113 1043627549 /nfs/dbraw/zinc/62/75/49/1043627549.db2.gz NFFSRAMQEKAQSZ-LZBANZJXSA-N 2 1 392.971 3.964 20 0 GHADMP c1ccc(CN(C2CC2)[C@H]2CCC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256696830 1043629033 /nfs/dbraw/zinc/62/90/33/1043629033.db2.gz NODSHIGZZDYTBM-RVMZIBIISA-N 2 1 397.607 3.759 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256696841 1043629439 /nfs/dbraw/zinc/62/94/39/1043629439.db2.gz NUIVXISHHSNVDG-QVDLRHOJSA-N 2 1 392.584 3.605 20 0 GHADMP CC(C)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OCc1ccccc1 ZINC001256845647 1043695919 /nfs/dbraw/zinc/69/59/19/1043695919.db2.gz CLEXBATXBWJGMW-QFIPXVFZSA-N 2 1 381.520 3.798 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256863316 1043708842 /nfs/dbraw/zinc/70/88/42/1043708842.db2.gz XRWMVNOQJDJVOQ-DHIUTWEWSA-N 2 1 393.531 3.862 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@H]3C2)cc1 ZINC001256865758 1043710792 /nfs/dbraw/zinc/71/07/92/1043710792.db2.gz VFOVWXVPFRROIO-GOTSBHOMSA-N 3 1 390.575 3.894 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@H]3C2)cc1 ZINC001256865758 1043710797 /nfs/dbraw/zinc/71/07/97/1043710797.db2.gz VFOVWXVPFRROIO-GOTSBHOMSA-N 3 1 390.575 3.894 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@H]3C2)cc1 ZINC001256865758 1043710810 /nfs/dbraw/zinc/71/08/10/1043710810.db2.gz VFOVWXVPFRROIO-GOTSBHOMSA-N 3 1 390.575 3.894 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256894231 1043726086 /nfs/dbraw/zinc/72/60/86/1043726086.db2.gz FXRMPRGDNCZDSF-PKOBYXMFSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256894231 1043726098 /nfs/dbraw/zinc/72/60/98/1043726098.db2.gz FXRMPRGDNCZDSF-PKOBYXMFSA-N 2 1 377.573 3.773 20 0 GHADMP COc1ccc(CC[NH+]2CCC(N[C@H]3CCC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001256910187 1043736471 /nfs/dbraw/zinc/73/64/71/1043736471.db2.gz YGIJGGWBZHAHRE-QFIPXVFZSA-N 2 1 385.596 3.699 20 0 GHADMP C[C@@H]1C(=O)NCC[N@H+]1C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256929882 1043756117 /nfs/dbraw/zinc/75/61/17/1043756117.db2.gz ADQVWEZOEWUYHK-QUVATAORSA-N 2 1 391.559 3.820 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CC1 ZINC001257216666 1043939969 /nfs/dbraw/zinc/93/99/69/1043939969.db2.gz NDNNELUVALVBNP-UHFFFAOYSA-N 2 1 375.582 3.549 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001292966423 1043967951 /nfs/dbraw/zinc/96/79/51/1043967951.db2.gz NXEFACQMUSTSCN-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001292966423 1043967955 /nfs/dbraw/zinc/96/79/55/1043967955.db2.gz NXEFACQMUSTSCN-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)CC1 ZINC001257815246 1044196026 /nfs/dbraw/zinc/19/60/26/1044196026.db2.gz KXQZVGITPDEGID-XXBNENTESA-N 2 1 391.600 3.974 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1CCC3(COC3)CC1)CC2 ZINC001257907089 1044255244 /nfs/dbraw/zinc/25/52/44/1044255244.db2.gz JWRNQHFXZRMVCG-LJQANCHMSA-N 2 1 390.593 3.763 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257961012 1044278746 /nfs/dbraw/zinc/27/87/46/1044278746.db2.gz NLRLOMDKBJCADC-ROUUACIJSA-N 2 1 378.944 3.655 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CC(NC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001258013529 1044338573 /nfs/dbraw/zinc/33/85/73/1044338573.db2.gz TXCSOURHIQVRAU-UHFFFAOYSA-N 2 1 379.589 3.876 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CC1 ZINC001258014577 1044342575 /nfs/dbraw/zinc/34/25/75/1044342575.db2.gz JNNLZKXWQOTGBU-VSOVRNOCSA-N 2 1 387.543 3.843 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258068088 1044380156 /nfs/dbraw/zinc/38/01/56/1044380156.db2.gz VPKMJUGDTKPQIB-UXHICEINSA-N 2 1 391.604 3.557 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258138074 1044424124 /nfs/dbraw/zinc/42/41/24/1044424124.db2.gz SRCVJXQUYXKGMS-BHDDXSALSA-N 2 1 399.579 3.824 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H](C)Cc1ccco1)CC2 ZINC001258188500 1044460981 /nfs/dbraw/zinc/46/09/81/1044460981.db2.gz LBSHSKHKHANRTA-TZIWHRDSSA-N 2 1 383.536 3.609 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001258343371 1044518818 /nfs/dbraw/zinc/51/88/18/1044518818.db2.gz XWLLFFIJYXWJDK-LJQANCHMSA-N 2 1 391.625 3.916 20 0 GHADMP COc1ccc(CC[C@H](C)[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001258401388 1044538533 /nfs/dbraw/zinc/53/85/33/1044538533.db2.gz MGDGYJZDYAUYBE-FQEVSTJZSA-N 2 1 396.579 3.880 20 0 GHADMP COc1ccc(CC[C@H](C)[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1 ZINC001258401388 1044538547 /nfs/dbraw/zinc/53/85/47/1044538547.db2.gz MGDGYJZDYAUYBE-FQEVSTJZSA-N 2 1 396.579 3.880 20 0 GHADMP CCOC(=O)CC[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001258494018 1044581563 /nfs/dbraw/zinc/58/15/63/1044581563.db2.gz FPSKHAJBLGGIBI-IBGZPJMESA-N 2 1 388.552 3.715 20 0 GHADMP CCCC[C@@H](Cc1ccccc1)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001258712466 1044730099 /nfs/dbraw/zinc/73/00/99/1044730099.db2.gz UTHHFUFPEZIERA-QFIPXVFZSA-N 2 1 398.595 3.969 20 0 GHADMP CCC[NH+]1CCC(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC1 ZINC001258773343 1044758439 /nfs/dbraw/zinc/75/84/39/1044758439.db2.gz HAOPXAPKHGCAAB-UHFFFAOYSA-N 2 1 385.596 3.536 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@@H]1CCC[C@@H](C)C1)CC2 ZINC001258820948 1044774661 /nfs/dbraw/zinc/77/46/61/1044774661.db2.gz QQHDGIDSBVPOKL-FCEUIQTBSA-N 2 1 378.601 3.795 20 0 GHADMP CCN(CC)C(=O)c1nc2c(s1)CC[N@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001258910048 1044863365 /nfs/dbraw/zinc/86/33/65/1044863365.db2.gz MRKKWVBVALGFOP-QGZVFWFLSA-N 2 1 394.629 3.536 20 0 GHADMP CCn1ncc2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@H]2COc1cccnc1 ZINC001258910590 1044864288 /nfs/dbraw/zinc/86/42/88/1044864288.db2.gz RYZBFHJPGHWHSP-UXHICEINSA-N 2 1 399.583 3.787 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001296551314 1045336134 /nfs/dbraw/zinc/33/61/34/1045336134.db2.gz ARPJQMQZWDOSFB-NRFANRHFSA-N 2 1 375.532 3.515 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001296551314 1045336140 /nfs/dbraw/zinc/33/61/40/1045336140.db2.gz ARPJQMQZWDOSFB-NRFANRHFSA-N 2 1 375.532 3.515 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(CC)CCC[NH+]1CCCC1 ZINC001296552432 1045336794 /nfs/dbraw/zinc/33/67/94/1045336794.db2.gz HFFQCYDYMXUOJX-DHIUTWEWSA-N 2 1 385.596 3.869 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001297114290 1045455073 /nfs/dbraw/zinc/45/50/73/1045455073.db2.gz FBVBDAPVDRQVJZ-FGZHOGPDSA-N 2 1 387.543 3.703 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001297605261 1045585694 /nfs/dbraw/zinc/58/56/94/1045585694.db2.gz HQGWDIKASGLITD-AZUAARDMSA-N 2 1 377.598 3.601 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001297605261 1045585705 /nfs/dbraw/zinc/58/57/05/1045585705.db2.gz HQGWDIKASGLITD-AZUAARDMSA-N 2 1 377.598 3.601 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001297605261 1045585710 /nfs/dbraw/zinc/58/57/10/1045585710.db2.gz HQGWDIKASGLITD-AZUAARDMSA-N 2 1 377.598 3.601 20 0 GHADMP CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000567613565 1046064074 /nfs/dbraw/zinc/06/40/74/1046064074.db2.gz CEZWHJHQNOMXLF-GOTSBHOMSA-N 2 1 379.548 3.551 20 0 GHADMP CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000567613565 1046064089 /nfs/dbraw/zinc/06/40/89/1046064089.db2.gz CEZWHJHQNOMXLF-GOTSBHOMSA-N 2 1 379.548 3.551 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C[C@@H]2C1 ZINC001262378680 1046254088 /nfs/dbraw/zinc/25/40/88/1046254088.db2.gz IKQHUFDJZYLFCR-QLFBSQMISA-N 2 1 380.558 3.652 20 0 GHADMP Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cs1 ZINC001262556839 1046266950 /nfs/dbraw/zinc/26/69/50/1046266950.db2.gz DNZDTMOGTURIRN-QFIPXVFZSA-N 2 1 395.572 3.744 20 0 GHADMP Cc1nc(-c2ccc(CC[NH2+]C[C@H](O)C[N@H+](C)Cc3ccccc3)cc2)cs1 ZINC001262556839 1046266964 /nfs/dbraw/zinc/26/69/64/1046266964.db2.gz DNZDTMOGTURIRN-QFIPXVFZSA-N 2 1 395.572 3.744 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)o1 ZINC001301866372 1046733803 /nfs/dbraw/zinc/73/38/03/1046733803.db2.gz CQVZLKMVQGLPDA-NQIIRXRSSA-N 2 1 383.536 3.762 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001302479368 1046951104 /nfs/dbraw/zinc/95/11/04/1046951104.db2.gz YFRFVXHOYJVXIP-DHIUTWEWSA-N 2 1 383.580 3.622 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389219423 1047417448 /nfs/dbraw/zinc/41/74/48/1047417448.db2.gz CTDTWXJQSUHBCQ-OFNKIYASSA-N 2 1 376.585 3.835 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC001265192692 1047571483 /nfs/dbraw/zinc/57/14/83/1047571483.db2.gz IBBNYFLQOCFCQZ-XUZZJYLKSA-N 2 1 393.575 3.986 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC001265192692 1047571492 /nfs/dbraw/zinc/57/14/92/1047571492.db2.gz IBBNYFLQOCFCQZ-XUZZJYLKSA-N 2 1 393.575 3.986 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Br)s3)(C1)CCC2 ZINC001279398148 1047794234 /nfs/dbraw/zinc/79/42/34/1047794234.db2.gz WJPCWTGMLPJXDC-DLBZAZTESA-N 2 1 386.403 3.597 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1Cl ZINC001279694628 1047920001 /nfs/dbraw/zinc/92/00/01/1047920001.db2.gz BAGYEFDDMIFFFG-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)c1Cl ZINC001279694628 1047920017 /nfs/dbraw/zinc/92/00/17/1047920017.db2.gz BAGYEFDDMIFFFG-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(Br)cccc1OC(F)F)CC2 ZINC001279702007 1047924118 /nfs/dbraw/zinc/92/41/18/1047924118.db2.gz MBJFBCKEMRLORZ-UHFFFAOYSA-N 2 1 389.284 3.968 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC001279782664 1047949415 /nfs/dbraw/zinc/94/94/15/1047949415.db2.gz KJKGVWDIRLOTRS-TZIWHRDSSA-N 2 1 377.598 3.541 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3c(F)ccnc3Cl)C[C@H]2CC1 ZINC001280083503 1048075340 /nfs/dbraw/zinc/07/53/40/1048075340.db2.gz PVOPFMBUXRIABQ-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)ccnc3Cl)C[C@H]2CC1 ZINC001280083503 1048075353 /nfs/dbraw/zinc/07/53/53/1048075353.db2.gz PVOPFMBUXRIABQ-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)ccnc3Cl)C[C@H]2CC1 ZINC001280083503 1048075368 /nfs/dbraw/zinc/07/53/68/1048075368.db2.gz PVOPFMBUXRIABQ-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3c(F)ccnc3Cl)C[C@H]2CC1 ZINC001280083503 1048075384 /nfs/dbraw/zinc/07/53/84/1048075384.db2.gz PVOPFMBUXRIABQ-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCCCCC1 ZINC001306349742 1048588165 /nfs/dbraw/zinc/58/81/65/1048588165.db2.gz IBYIKIQZSWBZFC-DHIUTWEWSA-N 2 1 385.596 3.773 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(c3cc[nH+]cc3C(F)(F)F)C2)ccn1 ZINC001307175777 1049119489 /nfs/dbraw/zinc/11/94/89/1049119489.db2.gz RJVTZNAEZKEUOX-KRWDZBQOSA-N 2 1 394.441 3.993 20 0 GHADMP C[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307700027 1049516722 /nfs/dbraw/zinc/51/67/22/1049516722.db2.gz YHONZUGOQCDEHB-YLJYHZDGSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307700027 1049516730 /nfs/dbraw/zinc/51/67/30/1049516730.db2.gz YHONZUGOQCDEHB-YLJYHZDGSA-N 2 1 377.960 3.858 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@]3(C)CC(C)C)CC2)cc1 ZINC001307785239 1049589980 /nfs/dbraw/zinc/58/99/80/1049589980.db2.gz ZLMKKSFPOMLJFS-DEOSSOPVSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@]3(C)CC(C)C)CC2)cc1 ZINC001307785239 1049589987 /nfs/dbraw/zinc/58/99/87/1049589987.db2.gz ZLMKKSFPOMLJFS-DEOSSOPVSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@]3(C)CC(C)C)CC2)cc1 ZINC001307785239 1049590004 /nfs/dbraw/zinc/59/00/04/1049590004.db2.gz ZLMKKSFPOMLJFS-DEOSSOPVSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001289743442 1049612280 /nfs/dbraw/zinc/61/22/80/1049612280.db2.gz BPXRVLVABJWGBI-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925108 1049700208 /nfs/dbraw/zinc/70/02/08/1049700208.db2.gz MPMKBVXOYCTSJS-ISKFKSNPSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925108 1049700218 /nfs/dbraw/zinc/70/02/18/1049700218.db2.gz MPMKBVXOYCTSJS-ISKFKSNPSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925108 1049700226 /nfs/dbraw/zinc/70/02/26/1049700226.db2.gz MPMKBVXOYCTSJS-ISKFKSNPSA-N 2 1 389.547 3.516 20 0 GHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC001307983189 1049738799 /nfs/dbraw/zinc/73/87/99/1049738799.db2.gz QUSOYXXZKKZWIF-SFHVURJKSA-N 2 1 384.486 3.949 20 0 GHADMP C[C@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001290253164 1049779850 /nfs/dbraw/zinc/77/98/50/1049779850.db2.gz REHLZOSHNGFXHE-VAMGGRTRSA-N 2 1 379.548 3.745 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1ccc(Br)cc1 ZINC001308038225 1049788609 /nfs/dbraw/zinc/78/86/09/1049788609.db2.gz JWEVICLXMYCNTC-UHFFFAOYSA-N 2 1 396.373 3.976 20 0 GHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001308221953 1049917802 /nfs/dbraw/zinc/91/78/02/1049917802.db2.gz FISJPSGHVUXLDC-USYVTKNRSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001308221953 1049917806 /nfs/dbraw/zinc/91/78/06/1049917806.db2.gz FISJPSGHVUXLDC-USYVTKNRSA-N 2 1 379.589 3.732 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC001308265365 1049931095 /nfs/dbraw/zinc/93/10/95/1049931095.db2.gz CLQHDJDWOOVMNS-YJBOKZPZSA-N 2 1 399.373 3.684 20 0 GHADMP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc2c1OCCO2 ZINC001308305244 1049944044 /nfs/dbraw/zinc/94/40/44/1049944044.db2.gz PBKGXVOLAMUVMJ-CYGODWOOSA-N 2 1 396.531 3.713 20 0 GHADMP C[C@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC001308366847 1049959659 /nfs/dbraw/zinc/95/96/59/1049959659.db2.gz OUDZUFQFRWVFEH-OAHLLOKOSA-N 2 1 397.357 3.965 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001291001016 1049967768 /nfs/dbraw/zinc/96/77/68/1049967768.db2.gz CSJWYENUTHEZHT-XJUOHMSHSA-N 2 1 397.607 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001291001016 1049967771 /nfs/dbraw/zinc/96/77/71/1049967771.db2.gz CSJWYENUTHEZHT-XJUOHMSHSA-N 2 1 397.607 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001291001016 1049967774 /nfs/dbraw/zinc/96/77/74/1049967774.db2.gz CSJWYENUTHEZHT-XJUOHMSHSA-N 2 1 397.607 3.773 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[C@@H]1C ZINC001308548134 1050005008 /nfs/dbraw/zinc/00/50/08/1050005008.db2.gz MVNPTROBHHBNTD-RRWKQDFOSA-N 2 1 384.564 3.855 20 0 GHADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1Br ZINC001308743224 1050078108 /nfs/dbraw/zinc/07/81/08/1050078108.db2.gz SIQZZXIAHRAADB-IBGZPJMESA-N 2 1 394.401 3.666 20 0 GHADMP c1ccc(C[N@@H+]2CCCCC[C@@H](NC3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC001308896062 1050145693 /nfs/dbraw/zinc/14/56/93/1050145693.db2.gz IKEDZPCAOYUAEW-RPWUZVMVSA-N 2 1 385.596 3.664 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001327687461 1050252490 /nfs/dbraw/zinc/25/24/90/1050252490.db2.gz JUOVTSSHYKYSPG-GTCWDNOESA-N 2 1 398.595 3.746 20 0 GHADMP CCOC(=O)c1cccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001330099389 1050955899 /nfs/dbraw/zinc/95/58/99/1050955899.db2.gz OAYHKPWBTVFSKM-FRIKZZABSA-N 2 1 393.531 3.934 20 0 GHADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001310447532 1051363277 /nfs/dbraw/zinc/36/32/77/1051363277.db2.gz VTYAUSUUPUUBNC-GCJKJVERSA-N 2 1 384.568 3.565 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC001311430514 1052135979 /nfs/dbraw/zinc/13/59/79/1052135979.db2.gz MVRYKGXOBPVGTF-HXUWFJFHSA-N 2 1 380.621 3.842 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C12CCC(CC1)CC2 ZINC001335839964 1052188503 /nfs/dbraw/zinc/18/85/03/1052188503.db2.gz LTEBSZAMQFYEAN-UHFFFAOYSA-N 2 1 375.601 3.612 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)c1 ZINC001336351838 1052261883 /nfs/dbraw/zinc/26/18/83/1052261883.db2.gz HZPRMBGIXDYKPF-UHFFFAOYSA-N 2 1 393.491 3.549 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001311694290 1052335943 /nfs/dbraw/zinc/33/59/43/1052335943.db2.gz LQHZQFKRPZJYRD-WOJBJXKFSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001311694290 1052335947 /nfs/dbraw/zinc/33/59/47/1052335947.db2.gz LQHZQFKRPZJYRD-WOJBJXKFSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311922151 1052477861 /nfs/dbraw/zinc/47/78/61/1052477861.db2.gz VVDCPIRXHHZPQR-UGKGYDQZSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001311922151 1052477866 /nfs/dbraw/zinc/47/78/66/1052477866.db2.gz VVDCPIRXHHZPQR-UGKGYDQZSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001311922151 1052477870 /nfs/dbraw/zinc/47/78/70/1052477870.db2.gz VVDCPIRXHHZPQR-UGKGYDQZSA-N 2 1 386.584 3.728 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CCC([NH2+]C4CCOCC4)CC3)c2c1 ZINC001337540815 1052498183 /nfs/dbraw/zinc/49/81/83/1052498183.db2.gz KEAQQXBZHXHQTF-UHFFFAOYSA-N 2 1 390.325 3.735 20 0 GHADMP C[C@H](CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001311955693 1052500275 /nfs/dbraw/zinc/50/02/75/1052500275.db2.gz YISNHYYTPPGLCF-QUCCMNQESA-N 2 1 376.589 3.563 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312014304 1052529812 /nfs/dbraw/zinc/52/98/12/1052529812.db2.gz ZQYJXFCHZNWLQD-FGZHOGPDSA-N 2 1 384.568 3.530 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001312571495 1052795097 /nfs/dbraw/zinc/79/50/97/1052795097.db2.gz BEOGXFLEMRGUMH-TZIWHRDSSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001312571495 1052795104 /nfs/dbraw/zinc/79/51/04/1052795104.db2.gz BEOGXFLEMRGUMH-TZIWHRDSSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001312571495 1052795114 /nfs/dbraw/zinc/79/51/14/1052795114.db2.gz BEOGXFLEMRGUMH-TZIWHRDSSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001312828455 1052886559 /nfs/dbraw/zinc/88/65/59/1052886559.db2.gz IBGOVVCNVGGBII-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312828455 1052886565 /nfs/dbraw/zinc/88/65/65/1052886565.db2.gz IBGOVVCNVGGBII-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312828455 1052886569 /nfs/dbraw/zinc/88/65/69/1052886569.db2.gz IBGOVVCNVGGBII-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318371844 1054595736 /nfs/dbraw/zinc/59/57/36/1054595736.db2.gz NELKXKOPMHDNFW-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318371844 1054595745 /nfs/dbraw/zinc/59/57/45/1054595745.db2.gz NELKXKOPMHDNFW-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001318505547 1054686915 /nfs/dbraw/zinc/68/69/15/1054686915.db2.gz YEDRSUUDQXUTKV-COPCDDAFSA-N 2 1 386.584 3.733 20 0 GHADMP CCC(CC)(CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC001318662211 1054782679 /nfs/dbraw/zinc/78/26/79/1054782679.db2.gz RSXWRZBBCKEIAY-TZIWHRDSSA-N 2 1 386.584 3.776 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC001319903714 1055532912 /nfs/dbraw/zinc/53/29/12/1055532912.db2.gz CBKXBGJQVSJUFV-ATZDWAIDSA-N 2 1 381.358 3.991 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC001319903714 1055532921 /nfs/dbraw/zinc/53/29/21/1055532921.db2.gz CBKXBGJQVSJUFV-ATZDWAIDSA-N 2 1 381.358 3.991 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC001319903715 1055533333 /nfs/dbraw/zinc/53/33/33/1055533333.db2.gz CBKXBGJQVSJUFV-AYOQOUSVSA-N 2 1 381.358 3.991 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC001319903715 1055533342 /nfs/dbraw/zinc/53/33/42/1055533342.db2.gz CBKXBGJQVSJUFV-AYOQOUSVSA-N 2 1 381.358 3.991 20 0 GHADMP Cc1ccccc1[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001319946249 1055555701 /nfs/dbraw/zinc/55/57/01/1055555701.db2.gz RDVCJTOFQAMNRP-WNOPAQSVSA-N 2 1 391.559 3.815 20 0 GHADMP Cc1ccccc1[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001319946247 1055556004 /nfs/dbraw/zinc/55/60/04/1055556004.db2.gz RDVCJTOFQAMNRP-BPUDTRNYSA-N 2 1 391.559 3.815 20 0 GHADMP Cc1c(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001320025492 1055605777 /nfs/dbraw/zinc/60/57/77/1055605777.db2.gz ITMRBNDMXLCXNW-XLIONFOSSA-N 2 1 376.504 3.673 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC001320176744 1055692262 /nfs/dbraw/zinc/69/22/62/1055692262.db2.gz LSNMZPRBJPOGOD-ACIOBRDBSA-N 2 1 395.522 3.599 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC001320176744 1055692271 /nfs/dbraw/zinc/69/22/71/1055692271.db2.gz LSNMZPRBJPOGOD-ACIOBRDBSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC001320176744 1055692276 /nfs/dbraw/zinc/69/22/76/1055692276.db2.gz LSNMZPRBJPOGOD-ACIOBRDBSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC001320176744 1055692283 /nfs/dbraw/zinc/69/22/83/1055692283.db2.gz LSNMZPRBJPOGOD-ACIOBRDBSA-N 2 1 395.522 3.599 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320627607 1055908031 /nfs/dbraw/zinc/90/80/31/1055908031.db2.gz CUHCKZGMSAHPPT-BBWFWOEESA-N 2 1 383.540 3.749 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001320627607 1055908038 /nfs/dbraw/zinc/90/80/38/1055908038.db2.gz CUHCKZGMSAHPPT-BBWFWOEESA-N 2 1 383.540 3.749 20 0 GHADMP Cc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc2c[nH+]cn21 ZINC001321728797 1056376324 /nfs/dbraw/zinc/37/63/24/1056376324.db2.gz FJIQSFIEXZPECJ-NRFANRHFSA-N 2 1 376.504 3.673 20 0 GHADMP Oc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC001324038914 1057059585 /nfs/dbraw/zinc/05/95/85/1057059585.db2.gz GDFZPXYJFVZMBR-UHFFFAOYSA-N 2 1 378.516 3.914 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)o1 ZINC000848895265 1057403474 /nfs/dbraw/zinc/40/34/74/1057403474.db2.gz LDLDFQCRWIPXHE-CMDGGOBGSA-N 2 1 382.504 3.988 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000848899386 1057406682 /nfs/dbraw/zinc/40/66/82/1057406682.db2.gz NFDIDCHPCYQAIM-FKDVYQRFSA-N 2 1 382.504 3.856 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001326372979 1057469707 /nfs/dbraw/zinc/46/97/07/1057469707.db2.gz UJQSPVFYDADBTK-OAHLLOKOSA-N 2 1 377.492 3.821 20 0 GHADMP COc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1OCc1ccncc1 ZINC001326518898 1057503435 /nfs/dbraw/zinc/50/34/35/1057503435.db2.gz NIKADBSZOZLZBU-UHFFFAOYSA-N 2 1 381.520 3.635 20 0 GHADMP C[C@@]1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000849075880 1057583026 /nfs/dbraw/zinc/58/30/26/1057583026.db2.gz OEEXSYKMQIGPNT-OFNKIYASSA-N 2 1 378.520 3.536 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F ZINC001338765107 1058772669 /nfs/dbraw/zinc/77/26/69/1058772669.db2.gz MOZZPEPUYKUPOM-LLVKDONJSA-N 2 1 375.366 3.820 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4C[C@H](C)C[C@H](C)C4)cc3)C[N@H+]2C1 ZINC001441484521 1058793034 /nfs/dbraw/zinc/79/30/34/1058793034.db2.gz ULSJBXVVJXBSOV-KUNFZNJOSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)C[NH+]2C1 ZINC001441484521 1058793052 /nfs/dbraw/zinc/79/30/52/1058793052.db2.gz ULSJBXVVJXBSOV-KUNFZNJOSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)C[NH+]2C1 ZINC001441484521 1058793069 /nfs/dbraw/zinc/79/30/69/1058793069.db2.gz ULSJBXVVJXBSOV-KUNFZNJOSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4C[C@H](C)C[C@H](C)C4)cc3)C[N@H+]2C1 ZINC001441484511 1058793203 /nfs/dbraw/zinc/79/32/03/1058793203.db2.gz ULSJBXVVJXBSOV-ABPIBVIQSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)C[NH+]2C1 ZINC001441484511 1058793221 /nfs/dbraw/zinc/79/32/21/1058793221.db2.gz ULSJBXVVJXBSOV-ABPIBVIQSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)C[NH+]2C1 ZINC001441484511 1058793236 /nfs/dbraw/zinc/79/32/36/1058793236.db2.gz ULSJBXVVJXBSOV-ABPIBVIQSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC001338809020 1058801858 /nfs/dbraw/zinc/80/18/58/1058801858.db2.gz GVYGGLFLCAOZPE-SIKLNZKXSA-N 2 1 394.563 3.682 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1 ZINC001338809020 1058801880 /nfs/dbraw/zinc/80/18/80/1058801880.db2.gz GVYGGLFLCAOZPE-SIKLNZKXSA-N 2 1 394.563 3.682 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001442674021 1058992596 /nfs/dbraw/zinc/99/25/96/1058992596.db2.gz XABWBVMZPYWBOL-PABCKOPISA-N 2 1 383.580 3.730 20 0 GHADMP CC1CC[NH+](CC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001444501797 1059331262 /nfs/dbraw/zinc/33/12/62/1059331262.db2.gz IZJDHDVNRTUFBI-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001341133985 1060439053 /nfs/dbraw/zinc/43/90/53/1060439053.db2.gz SHCXKEWQAUKYFN-DHIUTWEWSA-N 2 1 395.522 3.599 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC001341133985 1060439069 /nfs/dbraw/zinc/43/90/69/1060439069.db2.gz SHCXKEWQAUKYFN-DHIUTWEWSA-N 2 1 395.522 3.599 20 0 GHADMP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001449661881 1060442490 /nfs/dbraw/zinc/44/24/90/1060442490.db2.gz YMMFYBVBBYZEKM-NKKJXINNSA-N 2 1 397.607 3.868 20 0 GHADMP [NH3+]CC[C@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c2ccccc21 ZINC001341526598 1060731220 /nfs/dbraw/zinc/73/12/20/1060731220.db2.gz RRIKPNBOXOQYLO-MOPGFXCFSA-N 2 1 392.547 3.972 20 0 GHADMP CCOc1ccccc1[C@@H]([NH3+])CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001341677856 1060804244 /nfs/dbraw/zinc/80/42/44/1060804244.db2.gz UIKHFSQWDHATPM-IBGZPJMESA-N 2 1 399.560 3.663 20 0 GHADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001341793059 1060898718 /nfs/dbraw/zinc/89/87/18/1060898718.db2.gz ZAZOASGQFUQSCH-WOJBJXKFSA-N 2 1 395.572 3.521 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c3cccc(C(F)(F)F)c3)C[N@H+]2C1 ZINC001454540261 1061825615 /nfs/dbraw/zinc/82/56/15/1061825615.db2.gz RDRAVBPQYRKPPJ-XIVBQZFQSA-N 2 1 397.485 3.545 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001435321313 1062507843 /nfs/dbraw/zinc/50/78/43/1062507843.db2.gz ALSIJWORPQJRKM-JLLPCOHGSA-N 2 1 397.607 3.914 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001456795622 1062862168 /nfs/dbraw/zinc/86/21/68/1062862168.db2.gz IDHKZUIYGFXYIU-GOTSBHOMSA-N 2 1 397.538 3.627 20 0 GHADMP C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001456795622 1062862214 /nfs/dbraw/zinc/86/22/14/1062862214.db2.gz IDHKZUIYGFXYIU-GOTSBHOMSA-N 2 1 397.538 3.627 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC001457557554 1063243913 /nfs/dbraw/zinc/24/39/13/1063243913.db2.gz XIPNAVSCDODRGY-GOTSBHOMSA-N 2 1 379.548 3.838 20 0 GHADMP C[N@@H+](CCN1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1)Cc1ccccc1 ZINC001459447501 1064100516 /nfs/dbraw/zinc/10/05/16/1064100516.db2.gz NPPYHEFWWWGZGU-DEOSSOPVSA-N 2 1 381.539 3.953 20 0 GHADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617409 1064144796 /nfs/dbraw/zinc/14/47/96/1064144796.db2.gz BOFNFCXUNBOTOE-ILBGXUMGSA-N 2 1 378.560 3.849 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617409 1064144801 /nfs/dbraw/zinc/14/48/01/1064144801.db2.gz BOFNFCXUNBOTOE-ILBGXUMGSA-N 2 1 378.560 3.849 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617409 1064144807 /nfs/dbraw/zinc/14/48/07/1064144807.db2.gz BOFNFCXUNBOTOE-ILBGXUMGSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617409 1064144813 /nfs/dbraw/zinc/14/48/13/1064144813.db2.gz BOFNFCXUNBOTOE-ILBGXUMGSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617409 1064144819 /nfs/dbraw/zinc/14/48/19/1064144819.db2.gz BOFNFCXUNBOTOE-ILBGXUMGSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1 ZINC001459671631 1064162318 /nfs/dbraw/zinc/16/23/18/1064162318.db2.gz QQPGOWRZHYSCLJ-UHFFFAOYSA-N 2 1 397.485 3.619 20 0 GHADMP CCc1nc(NC(=O)C[NH+]2CCC(CCC[NH+](CC)CC)CC2)sc1C ZINC001459932463 1064282438 /nfs/dbraw/zinc/28/24/38/1064282438.db2.gz KGVGBHFOOYOEPG-UHFFFAOYSA-N 2 1 380.602 3.786 20 0 GHADMP CC/C(=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC001351222048 1064312208 /nfs/dbraw/zinc/31/22/08/1064312208.db2.gz XYASFSIOPCRFET-PEZBUJJGSA-N 2 1 384.911 3.919 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001300433631 1066319944 /nfs/dbraw/zinc/31/99/44/1066319944.db2.gz DPANRZCXKWQALV-NRFANRHFSA-N 2 1 395.547 3.655 20 0 GHADMP C[NH+](C)Cc1ccnc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001467112642 1067075873 /nfs/dbraw/zinc/07/58/73/1067075873.db2.gz AWOJNOFNRRBUJC-OAQYLSRUSA-N 2 1 395.551 3.567 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001477615109 1078492900 /nfs/dbraw/zinc/49/29/00/1078492900.db2.gz KRFYWGVIWVCNBL-IRLDBZIGSA-N 2 1 386.584 3.729 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001467569462 1067363807 /nfs/dbraw/zinc/36/38/07/1067363807.db2.gz AMSBKNJFRVMLSP-KNQAVFIVSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001467569462 1067363820 /nfs/dbraw/zinc/36/38/20/1067363820.db2.gz AMSBKNJFRVMLSP-KNQAVFIVSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001467569463 1067364334 /nfs/dbraw/zinc/36/43/34/1067364334.db2.gz AMSBKNJFRVMLSP-SIKLNZKXSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001467569463 1067364347 /nfs/dbraw/zinc/36/43/47/1067364347.db2.gz AMSBKNJFRVMLSP-SIKLNZKXSA-N 2 1 397.567 3.572 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC001467591609 1067375172 /nfs/dbraw/zinc/37/51/72/1067375172.db2.gz QYRLFVQXROQMMM-OAQYLSRUSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCCCC1 ZINC001467683851 1067418541 /nfs/dbraw/zinc/41/85/41/1067418541.db2.gz NRWKEFNSWIWVOI-NRFANRHFSA-N 2 1 380.621 3.841 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)c1 ZINC001477688622 1078526789 /nfs/dbraw/zinc/52/67/89/1078526789.db2.gz NKOISLCXLZLQBQ-HSZRJFAPSA-N 2 1 394.563 3.520 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1 ZINC001477688622 1078526792 /nfs/dbraw/zinc/52/67/92/1078526792.db2.gz NKOISLCXLZLQBQ-HSZRJFAPSA-N 2 1 394.563 3.520 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c1 ZINC001477688622 1078526797 /nfs/dbraw/zinc/52/67/97/1078526797.db2.gz NKOISLCXLZLQBQ-HSZRJFAPSA-N 2 1 394.563 3.520 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)c1ccc(Cl)cc1 ZINC001467903068 1067521387 /nfs/dbraw/zinc/52/13/87/1067521387.db2.gz KUIZCZIUOVNXJY-VAMGGRTRSA-N 2 1 377.960 3.856 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(Cl)cc1 ZINC001467903068 1067521389 /nfs/dbraw/zinc/52/13/89/1067521389.db2.gz KUIZCZIUOVNXJY-VAMGGRTRSA-N 2 1 377.960 3.856 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1ccc(Cl)cc1 ZINC001467903068 1067521393 /nfs/dbraw/zinc/52/13/93/1067521393.db2.gz KUIZCZIUOVNXJY-VAMGGRTRSA-N 2 1 377.960 3.856 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001477727062 1078544070 /nfs/dbraw/zinc/54/40/70/1078544070.db2.gz RZXMVHPHQMMSAH-UXHICEINSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001477783206 1078564441 /nfs/dbraw/zinc/56/44/41/1078564441.db2.gz HVSWDDOVJXUKBF-HXUWFJFHSA-N 2 1 394.991 3.678 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001477783206 1078564448 /nfs/dbraw/zinc/56/44/48/1078564448.db2.gz HVSWDDOVJXUKBF-HXUWFJFHSA-N 2 1 394.991 3.678 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001468351928 1067699098 /nfs/dbraw/zinc/69/90/98/1067699098.db2.gz SHXYHAZXKYPHKX-PZJWPPBQSA-N 2 1 388.600 3.798 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC001468360294 1067702486 /nfs/dbraw/zinc/70/24/86/1067702486.db2.gz UJYDBVKQZPTDCP-YADHBBJMSA-N 2 1 397.588 3.792 20 0 GHADMP C[C@]1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCC[N@H+]1Cc1ccccc1 ZINC000849097617 1067725842 /nfs/dbraw/zinc/72/58/42/1067725842.db2.gz BUQNBNFZIKYLTP-NFBKMPQASA-N 2 1 378.520 3.679 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000849098730 1067725881 /nfs/dbraw/zinc/72/58/81/1067725881.db2.gz QEWDUBQTQDXUEF-UHFFFAOYSA-N 2 1 396.535 3.519 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001477800486 1078573131 /nfs/dbraw/zinc/57/31/31/1078573131.db2.gz VKGQLYYNKXRTHS-FQEVSTJZSA-N 2 1 378.605 3.547 20 0 GHADMP CCCCCCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000849113769 1067734547 /nfs/dbraw/zinc/73/45/47/1067734547.db2.gz IYSOUQNEGUVAQS-NRFANRHFSA-N 2 1 386.584 3.609 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC001468630775 1067798269 /nfs/dbraw/zinc/79/82/69/1067798269.db2.gz NQIHORSLPPXHNQ-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001468630775 1067798278 /nfs/dbraw/zinc/79/82/78/1067798278.db2.gz NQIHORSLPPXHNQ-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001468630775 1067798286 /nfs/dbraw/zinc/79/82/86/1067798286.db2.gz NQIHORSLPPXHNQ-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1C)C(C)C ZINC001477852100 1078594546 /nfs/dbraw/zinc/59/45/46/1078594546.db2.gz IAPBZTDEJAGEDD-RBBKRZOGSA-N 2 1 388.600 3.750 20 0 GHADMP Cc1ccc(NCCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)[nH+]c1 ZINC001477858209 1078597161 /nfs/dbraw/zinc/59/71/61/1078597161.db2.gz FKIZWHCQDPSQBS-UHFFFAOYSA-N 2 1 395.551 3.677 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001469157816 1068000474 /nfs/dbraw/zinc/00/04/74/1068000474.db2.gz NLHAUHIBFSMLHB-NVQBRXGOSA-N 2 1 386.584 3.602 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)c1 ZINC001469386075 1068136793 /nfs/dbraw/zinc/13/67/93/1068136793.db2.gz WNSBQGZDQRHBHK-YADHBBJMSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC001469386075 1068136795 /nfs/dbraw/zinc/13/67/95/1068136795.db2.gz WNSBQGZDQRHBHK-YADHBBJMSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC001469386075 1068136798 /nfs/dbraw/zinc/13/67/98/1068136798.db2.gz WNSBQGZDQRHBHK-YADHBBJMSA-N 2 1 386.584 3.544 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[N@H+](CC)C[C@@H]2CC)[NH+](CC)CC)cc1 ZINC001470357157 1068697858 /nfs/dbraw/zinc/69/78/58/1068697858.db2.gz SOABQPWYUMXPIS-VXKWHMMOSA-N 2 1 388.600 3.758 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC001470375456 1068706938 /nfs/dbraw/zinc/70/69/38/1068706938.db2.gz BSRRAAMGAAIFTG-VWRAKTAISA-N 2 1 386.584 3.603 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618806 1078937655 /nfs/dbraw/zinc/93/76/55/1078937655.db2.gz UOFDVHFXZUFLJL-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CCN(C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001470854738 1072773378 /nfs/dbraw/zinc/77/33/78/1072773378.db2.gz NDBMTNOCFOPSKJ-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001470854738 1072773380 /nfs/dbraw/zinc/77/33/80/1072773380.db2.gz NDBMTNOCFOPSKJ-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001470854738 1072773386 /nfs/dbraw/zinc/77/33/86/1072773386.db2.gz NDBMTNOCFOPSKJ-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001478725131 1078967304 /nfs/dbraw/zinc/96/73/04/1078967304.db2.gz HILPRUFKFLOSSN-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001478772727 1078983282 /nfs/dbraw/zinc/98/32/82/1078983282.db2.gz YGHNZQRLYMFDHE-RTWAWAEBSA-N 2 1 388.600 3.660 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1cccc(C(F)(F)F)c1 ZINC001471215805 1072969808 /nfs/dbraw/zinc/96/98/08/1072969808.db2.gz RMJQANAKZBYBMO-WDSOQIARSA-N 2 1 397.485 3.641 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC001478927486 1079029285 /nfs/dbraw/zinc/02/92/85/1079029285.db2.gz DEJFQLURQPFVIF-UHFFFAOYSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)cc2)C1 ZINC001472489375 1073508994 /nfs/dbraw/zinc/50/89/94/1073508994.db2.gz VQJLJKVZRMCOHA-UYAOXDASSA-N 2 1 378.520 3.779 20 0 GHADMP CCc1c[nH]c2nc[nH+]c(NCCc3ccc(OCC[NH+]4CCCC4)cc3)c12 ZINC001472744663 1073646639 /nfs/dbraw/zinc/64/66/39/1073646639.db2.gz ZZHMXGQLQCXRLK-UHFFFAOYSA-N 2 1 379.508 3.601 20 0 GHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001473194413 1073848133 /nfs/dbraw/zinc/84/81/33/1073848133.db2.gz CXRSVVIMBLVBRI-XZOQPEGZSA-N 2 1 381.564 3.667 20 0 GHADMP Clc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001473502274 1073991891 /nfs/dbraw/zinc/99/18/91/1073991891.db2.gz UQXPNJHRJOMCLF-QFIPXVFZSA-N 2 1 386.923 3.826 20 0 GHADMP Clc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001473502274 1073991895 /nfs/dbraw/zinc/99/18/95/1073991895.db2.gz UQXPNJHRJOMCLF-QFIPXVFZSA-N 2 1 386.923 3.826 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001473655850 1074071069 /nfs/dbraw/zinc/07/10/69/1074071069.db2.gz DJQLGAGHLGQBDN-KNQAVFIVSA-N 2 1 383.580 3.668 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC001474028865 1074241404 /nfs/dbraw/zinc/24/14/04/1074241404.db2.gz QZAJTRACPQGHLB-GJZGRUSLSA-N 2 1 385.346 3.819 20 0 GHADMP CCC[N@H+](CC)CCNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001474033667 1074242703 /nfs/dbraw/zinc/24/27/03/1074242703.db2.gz WOQRYVMKGDCRQQ-UHFFFAOYSA-N 2 1 382.390 3.735 20 0 GHADMP CCC[N@@H+](CC)CCNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001474033667 1074242709 /nfs/dbraw/zinc/24/27/09/1074242709.db2.gz WOQRYVMKGDCRQQ-UHFFFAOYSA-N 2 1 382.390 3.735 20 0 GHADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)CC1 ZINC001474226305 1074300054 /nfs/dbraw/zinc/30/00/54/1074300054.db2.gz AODWPUVCSRMRQM-UHFFFAOYSA-N 2 1 393.019 3.692 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@]2(CCOC2)O1 ZINC001474470751 1074421852 /nfs/dbraw/zinc/42/18/52/1074421852.db2.gz OSMULOPKGMLFMO-QDSKXPNFSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1C[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C[C@]2(CCOC2)O1 ZINC001474470751 1074421856 /nfs/dbraw/zinc/42/18/56/1074421856.db2.gz OSMULOPKGMLFMO-QDSKXPNFSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1C[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C[C@]2(CCOC2)O1 ZINC001474470751 1074421858 /nfs/dbraw/zinc/42/18/58/1074421858.db2.gz OSMULOPKGMLFMO-QDSKXPNFSA-N 2 1 386.580 3.805 20 0 GHADMP CN(C)c1nc(C[NH2+]CCCCC[NH+]2CCCC2)c(Cl)n1-c1ccccc1 ZINC001474548935 1074459091 /nfs/dbraw/zinc/45/90/91/1074459091.db2.gz GUTQMIHQRURUMV-UHFFFAOYSA-N 2 1 389.975 3.947 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC(C4C[NH2+]C4)CC3)c2c1C ZINC001164615455 719037416 /nfs/dbraw/zinc/03/74/16/719037416.db2.gz NBXVHLIYQRDFNC-UHFFFAOYSA-N 2 1 399.608 3.730 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc3cc(F)ccc32)c2c1CC[NH2+]C2 ZINC001164685066 719600706 /nfs/dbraw/zinc/60/07/06/719600706.db2.gz QNGOTPGWSJCOID-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc3cc(F)ccc32)c2c1CC[NH2+]C2 ZINC001164685066 719600717 /nfs/dbraw/zinc/60/07/17/719600717.db2.gz QNGOTPGWSJCOID-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP Cc1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753459 720867192 /nfs/dbraw/zinc/86/71/92/720867192.db2.gz PMZCLHNUSYAEOI-VWNXMTODSA-N 2 1 392.547 3.540 20 0 GHADMP Cc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753459 720867194 /nfs/dbraw/zinc/86/71/94/720867194.db2.gz PMZCLHNUSYAEOI-VWNXMTODSA-N 2 1 392.547 3.540 20 0 GHADMP C[NH+](C)Cc1ccnc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC001165045248 721939855 /nfs/dbraw/zinc/93/98/55/721939855.db2.gz WZAYTLQPZFPXHW-UHFFFAOYSA-N 2 1 381.911 3.671 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC001165044954 721961597 /nfs/dbraw/zinc/96/15/97/721961597.db2.gz RABUWPKETZNTHM-HSZRJFAPSA-N 2 1 394.563 3.830 20 0 GHADMP Cc1cc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164985014 722130924 /nfs/dbraw/zinc/13/09/24/722130924.db2.gz YTUIVQJWCLCZNH-JTHBVZDNSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cc2ccccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164985014 722130925 /nfs/dbraw/zinc/13/09/25/722130925.db2.gz YTUIVQJWCLCZNH-JTHBVZDNSA-N 2 1 388.515 3.666 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543556 837472612 /nfs/dbraw/zinc/47/26/12/837472612.db2.gz PHADKSYJPGLBRM-WOJBJXKFSA-N 2 1 395.547 3.881 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000647544329 837476958 /nfs/dbraw/zinc/47/69/58/837476958.db2.gz ZAVKZJGJMBYQSV-DLBZAZTESA-N 2 1 386.458 3.848 20 0 GHADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414106985 837574542 /nfs/dbraw/zinc/57/45/42/837574542.db2.gz RLGMXCJJIVCLAM-HSALFYBXSA-N 2 1 396.579 3.689 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471404719 837605779 /nfs/dbraw/zinc/60/57/79/837605779.db2.gz IVNPFHWSVSWAPY-UHFFFAOYSA-N 2 1 379.548 3.593 20 0 GHADMP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655705331 837694844 /nfs/dbraw/zinc/69/48/44/837694844.db2.gz FKVAUOVEVFKCMV-DOTOQJQBSA-N 2 1 386.458 3.706 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655712151 837705834 /nfs/dbraw/zinc/70/58/34/837705834.db2.gz RAZLQTUSBLTBDM-ROUUACIJSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655712151 837705840 /nfs/dbraw/zinc/70/58/40/837705840.db2.gz RAZLQTUSBLTBDM-ROUUACIJSA-N 2 1 389.341 3.660 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000655723519 837740472 /nfs/dbraw/zinc/74/04/72/837740472.db2.gz PCKQEVTXTUIFFU-OXJNMPFZSA-N 2 1 376.516 3.909 20 0 GHADMP Brc1cccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655727298 837746662 /nfs/dbraw/zinc/74/66/62/837746662.db2.gz MDBJUDQHSPZCCK-LJQANCHMSA-N 2 1 381.358 3.615 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000278758188 834518962 /nfs/dbraw/zinc/51/89/62/834518962.db2.gz SWWGJWUBGQOIBN-XXBNENTESA-N 2 1 398.595 3.555 20 0 GHADMP CCCN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511252430 834520759 /nfs/dbraw/zinc/52/07/59/834520759.db2.gz LEHGFZNAXNEJEF-OFNKIYASSA-N 2 1 398.595 3.723 20 0 GHADMP CCCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511252430 834520762 /nfs/dbraw/zinc/52/07/62/834520762.db2.gz LEHGFZNAXNEJEF-OFNKIYASSA-N 2 1 398.595 3.723 20 0 GHADMP CCCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511252430 834520765 /nfs/dbraw/zinc/52/07/65/834520765.db2.gz LEHGFZNAXNEJEF-OFNKIYASSA-N 2 1 398.595 3.723 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000650705735 834525847 /nfs/dbraw/zinc/52/58/47/834525847.db2.gz UEODRSYHTLQRCU-SZVBFZGTSA-N 2 1 375.513 3.668 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OC ZINC000650705731 834526067 /nfs/dbraw/zinc/52/60/67/834526067.db2.gz UAGYNIGFOCYUJN-ZJOUEHCJSA-N 2 1 376.541 3.592 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1OC ZINC000650708373 834550498 /nfs/dbraw/zinc/55/04/98/834550498.db2.gz YUXQFPJLOQVSOM-TUNNFDKTSA-N 2 1 390.568 3.983 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1OC ZINC000650708374 834550627 /nfs/dbraw/zinc/55/06/27/834550627.db2.gz YUXQFPJLOQVSOM-VWPQPMDRSA-N 2 1 390.568 3.983 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000655735321 837784986 /nfs/dbraw/zinc/78/49/86/837784986.db2.gz GYTIUTNHYZRTLP-UTKZUKDTSA-N 2 1 388.531 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000655735321 837784988 /nfs/dbraw/zinc/78/49/88/837784988.db2.gz GYTIUTNHYZRTLP-UTKZUKDTSA-N 2 1 388.531 3.546 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc12 ZINC000657771665 834651093 /nfs/dbraw/zinc/65/10/93/834651093.db2.gz LUEZCNWDKRZNKK-OAQYLSRUSA-N 2 1 389.547 3.669 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OCC(C)C ZINC000650722483 834689817 /nfs/dbraw/zinc/68/98/17/834689817.db2.gz VJKFGFYPZIICLN-SFHLNBCPSA-N 2 1 376.541 3.591 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(COc3ccccc3)n2)C1 ZINC000650723937 834707398 /nfs/dbraw/zinc/70/73/98/834707398.db2.gz WBVUAZAGRNWTDU-LSTHTHJFSA-N 2 1 387.549 3.583 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(COc3ccccc3)n2)C1 ZINC000650723937 834707404 /nfs/dbraw/zinc/70/74/04/834707404.db2.gz WBVUAZAGRNWTDU-LSTHTHJFSA-N 2 1 387.549 3.583 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773345 834721980 /nfs/dbraw/zinc/72/19/80/834721980.db2.gz QQJXAGKCYPGSES-QGZVFWFLSA-N 2 1 392.469 3.831 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773345 834721984 /nfs/dbraw/zinc/72/19/84/834721984.db2.gz QQJXAGKCYPGSES-QGZVFWFLSA-N 2 1 392.469 3.831 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000472296053 834781516 /nfs/dbraw/zinc/78/15/16/834781516.db2.gz SVJRNJOTZLBINH-FUHWJXTLSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000472296053 834781521 /nfs/dbraw/zinc/78/15/21/834781521.db2.gz SVJRNJOTZLBINH-FUHWJXTLSA-N 2 1 390.503 3.678 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)CC1 ZINC000657875663 834869944 /nfs/dbraw/zinc/86/99/44/834869944.db2.gz HRZLFPUEKIAPTH-FPOVZHCZSA-N 2 1 391.987 3.899 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1)CC1CC1 ZINC000685421079 834994658 /nfs/dbraw/zinc/99/46/58/834994658.db2.gz XISFBJZMHOBDPW-UHFFFAOYSA-N 2 1 376.541 3.743 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)C1 ZINC001208606021 835210446 /nfs/dbraw/zinc/21/04/46/835210446.db2.gz DDEXMBQMOLXEML-NSHGMRRFSA-N 2 1 385.552 3.799 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)C1 ZINC001208606021 835210453 /nfs/dbraw/zinc/21/04/53/835210453.db2.gz DDEXMBQMOLXEML-NSHGMRRFSA-N 2 1 385.552 3.799 20 0 GHADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)C1 ZINC001208606021 835210466 /nfs/dbraw/zinc/21/04/66/835210466.db2.gz DDEXMBQMOLXEML-NSHGMRRFSA-N 2 1 385.552 3.799 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394548802 835259324 /nfs/dbraw/zinc/25/93/24/835259324.db2.gz DGVZFQPRPOAXKF-NSHDSACASA-N 2 1 376.136 3.643 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000658074092 835399286 /nfs/dbraw/zinc/39/92/86/835399286.db2.gz RKBYXMMHOTVQEL-UBFVSLLYSA-N 2 1 391.559 3.713 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)CC3 ZINC000658134506 835444046 /nfs/dbraw/zinc/44/40/46/835444046.db2.gz BAQLZMPUXXMEQZ-NHCUHLMSSA-N 2 1 389.543 3.690 20 0 GHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCO2 ZINC000658139477 835465582 /nfs/dbraw/zinc/46/55/82/835465582.db2.gz LUAXWGRDXXUNBK-GGAORHGYSA-N 2 1 380.532 3.874 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000154505124 835695172 /nfs/dbraw/zinc/69/51/72/835695172.db2.gz BPKPDCLDBSKREE-QGZVFWFLSA-N 2 1 387.597 3.582 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cc2cnccc2o1 ZINC000657833023 835740924 /nfs/dbraw/zinc/74/09/24/835740924.db2.gz CGQXQAXZASKGOE-WIYYLYMNSA-N 2 1 378.520 3.857 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000448216244 835790431 /nfs/dbraw/zinc/79/04/31/835790431.db2.gz ATNFEZLVBALMOW-ICSRJNTNSA-N 2 1 394.629 3.798 20 0 GHADMP C[N@@H+]1CCC[C@]2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000584307524 835864306 /nfs/dbraw/zinc/86/43/06/835864306.db2.gz OILCOMIYLSZRMV-IBGZPJMESA-N 2 1 377.326 3.643 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000584307524 835864314 /nfs/dbraw/zinc/86/43/14/835864314.db2.gz OILCOMIYLSZRMV-IBGZPJMESA-N 2 1 377.326 3.643 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000584307524 835864323 /nfs/dbraw/zinc/86/43/23/835864323.db2.gz OILCOMIYLSZRMV-IBGZPJMESA-N 2 1 377.326 3.643 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000584307524 835864328 /nfs/dbraw/zinc/86/43/28/835864328.db2.gz OILCOMIYLSZRMV-IBGZPJMESA-N 2 1 377.326 3.643 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081128543 835931857 /nfs/dbraw/zinc/93/18/57/835931857.db2.gz IKXRJLDHCOBJIY-NRFANRHFSA-N 2 1 375.532 3.511 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081128543 835931864 /nfs/dbraw/zinc/93/18/64/835931864.db2.gz IKXRJLDHCOBJIY-NRFANRHFSA-N 2 1 375.532 3.511 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000547748304 836001611 /nfs/dbraw/zinc/00/16/11/836001611.db2.gz BAHFLFYXZHYBBS-AZUAARDMSA-N 2 1 386.584 3.730 20 0 GHADMP CC1(C)CC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC(C)(C)[NH2+]1 ZINC000120107821 836047163 /nfs/dbraw/zinc/04/71/63/836047163.db2.gz OFMLBWAVFYGJNG-INIZCTEOSA-N 2 1 392.613 3.569 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000092587332 844121798 /nfs/dbraw/zinc/12/17/98/844121798.db2.gz KQYHDVMCYMTKQB-CALCHBBNSA-N 2 1 386.515 3.537 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2C)cc1 ZINC000647479333 836175744 /nfs/dbraw/zinc/17/57/44/836175744.db2.gz CPGSOOYTLBZEGC-NZQKXSOJSA-N 2 1 382.552 3.521 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2C)cc1 ZINC000647479333 836175753 /nfs/dbraw/zinc/17/57/53/836175753.db2.gz CPGSOOYTLBZEGC-NZQKXSOJSA-N 2 1 382.552 3.521 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2cccs2)CC1 ZINC000613386443 836248661 /nfs/dbraw/zinc/24/86/61/836248661.db2.gz HUUVBXXQTVJACM-LJQANCHMSA-N 2 1 385.577 3.784 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2cccs2)CC1 ZINC000613386443 836248675 /nfs/dbraw/zinc/24/86/75/836248675.db2.gz HUUVBXXQTVJACM-LJQANCHMSA-N 2 1 385.577 3.784 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2cccs2)CC1 ZINC000613386443 836248688 /nfs/dbraw/zinc/24/86/88/836248688.db2.gz HUUVBXXQTVJACM-LJQANCHMSA-N 2 1 385.577 3.784 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2cccs2)CC1 ZINC000613386443 836248701 /nfs/dbraw/zinc/24/87/01/836248701.db2.gz HUUVBXXQTVJACM-LJQANCHMSA-N 2 1 385.577 3.784 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483718 844154361 /nfs/dbraw/zinc/15/43/61/844154361.db2.gz WFHZNZFAIKBUIO-SIKLNZKXSA-N 2 1 377.532 3.814 20 0 GHADMP CC(C)Oc1ccc(Cl)cc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000579891268 836820628 /nfs/dbraw/zinc/82/06/28/836820628.db2.gz KSYGZSGGDRYHFQ-UHFFFAOYSA-N 2 1 396.963 3.617 20 0 GHADMP CC(C)Oc1ccc(Cl)cc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000579891268 836820634 /nfs/dbraw/zinc/82/06/34/836820634.db2.gz KSYGZSGGDRYHFQ-UHFFFAOYSA-N 2 1 396.963 3.617 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1 ZINC001167208246 836908692 /nfs/dbraw/zinc/90/86/92/836908692.db2.gz WGDZBFHZMXTZNG-GPXNEJASSA-N 2 1 376.548 3.606 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000512543711 844231892 /nfs/dbraw/zinc/23/18/92/844231892.db2.gz AZWJRTILEHVUJE-KJXAQDMKSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000512543711 844231899 /nfs/dbraw/zinc/23/18/99/844231899.db2.gz AZWJRTILEHVUJE-KJXAQDMKSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000512544069 844225583 /nfs/dbraw/zinc/22/55/83/844225583.db2.gz DNKPTPDYORKZAZ-MJGOQNOKSA-N 2 1 385.577 3.840 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000431720857 837112681 /nfs/dbraw/zinc/11/26/81/837112681.db2.gz DVQJHGMUSNFDIS-QFIPXVFZSA-N 2 1 379.548 3.633 20 0 GHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)ccc1Cl ZINC000180916891 844242009 /nfs/dbraw/zinc/24/20/09/844242009.db2.gz HPWZITRMSUBJOE-FQEVSTJZSA-N 2 1 385.939 3.636 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414347294 837275233 /nfs/dbraw/zinc/27/52/33/837275233.db2.gz HIBYOZVJNNDQEU-GUXCAODWSA-N 2 1 394.401 3.732 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(n2ccnc2)CC1 ZINC000103303310 837300770 /nfs/dbraw/zinc/30/07/70/837300770.db2.gz DAFPYFXNRHVJTC-LJQANCHMSA-N 2 1 395.551 3.804 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000892633819 837363103 /nfs/dbraw/zinc/36/31/03/837363103.db2.gz ZAISRAJINIVNGF-UHFFFAOYSA-N 2 1 382.346 3.760 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000471373985 837376439 /nfs/dbraw/zinc/37/64/39/837376439.db2.gz VPWVVVWRLVORPV-UHFFFAOYSA-N 2 1 377.532 3.712 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000655792761 837913980 /nfs/dbraw/zinc/91/39/80/837913980.db2.gz OWGHVSDZYOESFO-UHFFFAOYSA-N 2 1 391.357 3.907 20 0 GHADMP Cc1cc(-n2ccc3cc(C[NH3+])cnc32)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001167301639 837946537 /nfs/dbraw/zinc/94/65/37/837946537.db2.gz QGVOZNQMOUHEHJ-UHFFFAOYSA-N 2 1 383.499 3.746 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)cc1)C(C)C ZINC000430456794 838023771 /nfs/dbraw/zinc/02/37/71/838023771.db2.gz KGAVXNHUORGQHH-UHFFFAOYSA-N 2 1 397.567 3.941 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659279451 838056411 /nfs/dbraw/zinc/05/64/11/838056411.db2.gz AAEKGHJKAVZOHC-REWPJTCUSA-N 2 1 391.559 3.659 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000415931657 838280299 /nfs/dbraw/zinc/28/02/99/838280299.db2.gz MQSDZLSHEHAVNW-FQEVSTJZSA-N 2 1 398.576 3.535 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000415931657 838280303 /nfs/dbraw/zinc/28/03/03/838280303.db2.gz MQSDZLSHEHAVNW-FQEVSTJZSA-N 2 1 398.576 3.535 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000415932624 838281354 /nfs/dbraw/zinc/28/13/54/838281354.db2.gz OKRKQEJJRJJDOG-HSZRJFAPSA-N 2 1 378.520 3.536 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000415935749 838289112 /nfs/dbraw/zinc/28/91/12/838289112.db2.gz VJKPJYFKBFIRJV-VXKWHMMOSA-N 2 1 392.547 3.782 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000415938165 838291115 /nfs/dbraw/zinc/29/11/15/838291115.db2.gz YJXFDGDUDILTRC-UHFFFAOYSA-N 2 1 380.536 3.879 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1)C(C)C ZINC000110166970 844313271 /nfs/dbraw/zinc/31/32/71/844313271.db2.gz RTVJITGQEITOEN-JOCHJYFZSA-N 2 1 397.563 3.958 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1)C(C)C ZINC000110166970 844313283 /nfs/dbraw/zinc/31/32/83/844313283.db2.gz RTVJITGQEITOEN-JOCHJYFZSA-N 2 1 397.563 3.958 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000271222276 838320325 /nfs/dbraw/zinc/32/03/25/838320325.db2.gz KRZVWYHQIAJCRX-SFHVURJKSA-N 2 1 394.357 3.584 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCCCCC1 ZINC000535713730 844332259 /nfs/dbraw/zinc/33/22/59/844332259.db2.gz QHXMJTAPXYHCMW-SYNHAJSKSA-N 2 1 395.950 3.853 20 0 GHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)CC3 ZINC000123417289 838522225 /nfs/dbraw/zinc/52/22/25/838522225.db2.gz CGCUXYKUPHQAFE-GOSISDBHSA-N 2 1 397.563 3.659 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000537956002 838526527 /nfs/dbraw/zinc/52/65/27/838526527.db2.gz VRLQTNXILAJFFW-DGCLKSJQSA-N 2 1 395.263 3.919 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000537956002 838526535 /nfs/dbraw/zinc/52/65/35/838526535.db2.gz VRLQTNXILAJFFW-DGCLKSJQSA-N 2 1 395.263 3.919 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275732286 838599104 /nfs/dbraw/zinc/59/91/04/838599104.db2.gz XOJRNWWHWMTKFB-UGKGYDQZSA-N 2 1 394.563 3.823 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCc3ccccc3OC(F)F)sc2C1 ZINC000471534700 838802973 /nfs/dbraw/zinc/80/29/73/838802973.db2.gz BLASNPOYAYAAIJ-UHFFFAOYSA-N 2 1 381.492 3.843 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCc3ccccc3OC(F)F)sc2C1 ZINC000471534700 838802985 /nfs/dbraw/zinc/80/29/85/838802985.db2.gz BLASNPOYAYAAIJ-UHFFFAOYSA-N 2 1 381.492 3.843 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)cn2)cc1 ZINC000415014535 839062110 /nfs/dbraw/zinc/06/21/10/839062110.db2.gz ZYCGJEZQISSJOK-NZQKXSOJSA-N 2 1 396.485 3.693 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OCCOc1ccccc1Cl ZINC000415025201 839076908 /nfs/dbraw/zinc/07/69/08/839076908.db2.gz ZSOJAXHHRUDLMJ-CABCVRRESA-N 2 1 378.900 3.632 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)N2CCc3ccccc3C2)cc1 ZINC000189168776 839116755 /nfs/dbraw/zinc/11/67/55/839116755.db2.gz QYRSYWXAEYXPPZ-SFHVURJKSA-N 2 1 388.515 3.806 20 0 GHADMP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)c(Br)c1O ZINC000415050087 839118504 /nfs/dbraw/zinc/11/85/04/839118504.db2.gz IHVOOHFKQLIDAU-HNNXBMFYSA-N 2 1 379.298 3.733 20 0 GHADMP COc1ccccc1-c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052002 839121411 /nfs/dbraw/zinc/12/14/11/839121411.db2.gz KOHXRNMSNLRBML-UHFFFAOYSA-N 2 1 379.548 3.668 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000047791947 839211521 /nfs/dbraw/zinc/21/15/21/839211521.db2.gz IDBQGJJSEFELBQ-NQIIRXRSSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000047791947 839211533 /nfs/dbraw/zinc/21/15/33/839211533.db2.gz IDBQGJJSEFELBQ-NQIIRXRSSA-N 2 1 398.551 3.756 20 0 GHADMP Brc1cc(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000394574597 839226502 /nfs/dbraw/zinc/22/65/02/839226502.db2.gz QDLNPGQOQVAWPH-CABCVRRESA-N 2 1 388.147 3.928 20 0 GHADMP Brc1cc(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000394574597 839226515 /nfs/dbraw/zinc/22/65/15/839226515.db2.gz QDLNPGQOQVAWPH-CABCVRRESA-N 2 1 388.147 3.928 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000415111974 839233030 /nfs/dbraw/zinc/23/30/30/839233030.db2.gz RQUHPUAGDVARPR-IRXDYDNUSA-N 2 1 387.749 3.821 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(NC(=O)OC(C)(C)C)cnn2C)c1 ZINC000892939349 839510105 /nfs/dbraw/zinc/51/01/05/839510105.db2.gz YZXSRSOMGHYWBD-UHFFFAOYSA-N 2 1 387.528 3.509 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(NC(=O)OC(C)(C)C)cnn2C)c1 ZINC000892939349 839510113 /nfs/dbraw/zinc/51/01/13/839510113.db2.gz YZXSRSOMGHYWBD-UHFFFAOYSA-N 2 1 387.528 3.509 20 0 GHADMP CCC[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000580552207 839795274 /nfs/dbraw/zinc/79/52/74/839795274.db2.gz XSBYFHUJOMXBTO-UHFFFAOYSA-N 2 1 379.548 3.746 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000893009686 839906010 /nfs/dbraw/zinc/90/60/10/839906010.db2.gz FFXHRBNQWKLFOW-HNNXBMFYSA-N 2 1 395.569 3.686 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535805893 844503700 /nfs/dbraw/zinc/50/37/00/844503700.db2.gz YPYKFVNTRROTCD-QRQLOZEOSA-N 2 1 397.346 3.953 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535805893 844503718 /nfs/dbraw/zinc/50/37/18/844503718.db2.gz YPYKFVNTRROTCD-QRQLOZEOSA-N 2 1 397.346 3.953 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000418486261 840306256 /nfs/dbraw/zinc/30/62/56/840306256.db2.gz IFINQLLKNBASHP-MOPGFXCFSA-N 2 1 386.584 3.892 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416975895 840320305 /nfs/dbraw/zinc/32/03/05/840320305.db2.gz NIJQTEHIZUGFAI-SIKLNZKXSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416976492 840322010 /nfs/dbraw/zinc/32/20/10/840322010.db2.gz OHTOKEGFXBPFTK-HXUWFJFHSA-N 2 1 398.595 3.736 20 0 GHADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000416970193 840325912 /nfs/dbraw/zinc/32/59/12/840325912.db2.gz MZESMIWAFNEOBA-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CN(C)c1cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000500411722 840419863 /nfs/dbraw/zinc/41/98/63/840419863.db2.gz SUYKVXJCYQPCKG-LJQANCHMSA-N 2 1 392.425 3.541 20 0 GHADMP CN(C)c1cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000500411722 840419874 /nfs/dbraw/zinc/41/98/74/840419874.db2.gz SUYKVXJCYQPCKG-LJQANCHMSA-N 2 1 392.425 3.541 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000092758040 844536669 /nfs/dbraw/zinc/53/66/69/844536669.db2.gz ZTXLYHJJMBWTTJ-QFIPXVFZSA-N 2 1 378.564 3.903 20 0 GHADMP O=S(=O)(CC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000581007037 840586609 /nfs/dbraw/zinc/58/66/09/840586609.db2.gz CKGZUYHJTUXLAB-UHFFFAOYSA-N 2 1 386.561 3.626 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417222535 840616934 /nfs/dbraw/zinc/61/69/34/840616934.db2.gz QEKZZUMEIPBJRB-QIJUGHKUSA-N 2 1 380.536 3.601 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000543870849 840786419 /nfs/dbraw/zinc/78/64/19/840786419.db2.gz HPELGUOGKNUDHA-INIZCTEOSA-N 2 1 380.964 3.896 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844211 840823389 /nfs/dbraw/zinc/82/33/89/840823389.db2.gz RWLSLVGHZVBZTM-HDICACEKSA-N 2 1 386.540 3.689 20 0 GHADMP COC1CC[NH+](C2(CN[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CCCC2)CC1 ZINC000548155795 840881365 /nfs/dbraw/zinc/88/13/65/840881365.db2.gz DDAXUNABAUHZIT-FYYLOGMGSA-N 2 1 399.623 3.910 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000544143133 840947508 /nfs/dbraw/zinc/94/75/08/840947508.db2.gz YQGYTMVQYLFDOL-FUHWJXTLSA-N 2 1 381.358 3.806 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000544143133 840947509 /nfs/dbraw/zinc/94/75/09/840947509.db2.gz YQGYTMVQYLFDOL-FUHWJXTLSA-N 2 1 381.358 3.806 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000544143133 840947512 /nfs/dbraw/zinc/94/75/12/840947512.db2.gz YQGYTMVQYLFDOL-FUHWJXTLSA-N 2 1 381.358 3.806 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000581370574 841182651 /nfs/dbraw/zinc/18/26/51/841182651.db2.gz CZUTYRIFPZSTHL-MOPGFXCFSA-N 2 1 379.504 3.739 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2csc(-c3cccc(OC)c3OC)n2)CC1 ZINC000430577001 841207918 /nfs/dbraw/zinc/20/79/18/841207918.db2.gz TXPNONYKZUJIEO-UHFFFAOYSA-N 2 1 375.538 3.649 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000417875435 841233934 /nfs/dbraw/zinc/23/39/34/841233934.db2.gz LLHSLEJYGVFJAI-FKBYEOEOSA-N 2 1 386.584 3.577 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000510414527 841273959 /nfs/dbraw/zinc/27/39/59/841273959.db2.gz KOIXERGYJYEJQG-CALCHBBNSA-N 2 1 385.552 3.981 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000511642202 841281243 /nfs/dbraw/zinc/28/12/43/841281243.db2.gz HHUISQXEJXEJGP-UHFFFAOYSA-N 2 1 390.572 3.603 20 0 GHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000364173761 841294656 /nfs/dbraw/zinc/29/46/56/841294656.db2.gz FRLVVXLFFBZSIJ-GOSISDBHSA-N 2 1 389.559 3.584 20 0 GHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc1C ZINC000364176428 841302103 /nfs/dbraw/zinc/30/21/03/841302103.db2.gz KJQKQGWYVBVDKZ-UHFFFAOYSA-N 2 1 377.598 3.633 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2ccncc2c1 ZINC000651459382 841315332 /nfs/dbraw/zinc/31/53/32/841315332.db2.gz JOFFLEROWVKRLP-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP CC(C)c1[nH+]c(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c2ccccn21 ZINC000651758987 841520680 /nfs/dbraw/zinc/52/06/80/841520680.db2.gz WXCDFMOGFUUJBI-NRFANRHFSA-N 2 1 392.547 3.704 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000364280033 841585889 /nfs/dbraw/zinc/58/58/89/841585889.db2.gz GYNVAWDWUGYWNH-GHTZIAJQSA-N 2 1 394.563 3.711 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000581543219 841637034 /nfs/dbraw/zinc/63/70/34/841637034.db2.gz UEVIFKCHSTXUDR-UHFFFAOYSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000303506107 842003365 /nfs/dbraw/zinc/00/33/65/842003365.db2.gz VYGOERWBVMTTIE-NZQKXSOJSA-N 2 1 394.563 3.643 20 0 GHADMP [NH3+][C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(Cl)c1 ZINC000662920833 842003483 /nfs/dbraw/zinc/00/34/83/842003483.db2.gz YWCUCEOLJLRLKI-CTNGQTDRSA-N 2 1 397.950 3.758 20 0 GHADMP Brc1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166443525 842039894 /nfs/dbraw/zinc/03/98/94/842039894.db2.gz XMDWGGXHFVNVAG-RTBURBONSA-N 2 1 393.369 3.714 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175362 842101913 /nfs/dbraw/zinc/10/19/13/842101913.db2.gz LNUXGJCDAPBVGN-DHIUTWEWSA-N 2 1 394.559 3.830 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175362 842101920 /nfs/dbraw/zinc/10/19/20/842101920.db2.gz LNUXGJCDAPBVGN-DHIUTWEWSA-N 2 1 394.559 3.830 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001167828324 842116254 /nfs/dbraw/zinc/11/62/54/842116254.db2.gz XKOLOTVFICNEBO-QFIPXVFZSA-N 3 1 387.612 3.864 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)CN(Cc1ccccc1)CCO2 ZINC001167828324 842116260 /nfs/dbraw/zinc/11/62/60/842116260.db2.gz XKOLOTVFICNEBO-QFIPXVFZSA-N 2 1 387.612 3.864 20 0 GHADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1OCc1ccccc1 ZINC000432354537 842146919 /nfs/dbraw/zinc/14/69/19/842146919.db2.gz XXAJNOCOOZHWCV-FQEVSTJZSA-N 2 1 398.547 3.865 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001167835846 842314918 /nfs/dbraw/zinc/31/49/18/842314918.db2.gz UPNQWSBFSRWNRM-IBGZPJMESA-N 3 1 389.584 3.538 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OCc1c(C)noc1C ZINC000623654701 861296597 /nfs/dbraw/zinc/29/65/97/861296597.db2.gz GWMONMYJQKTFOF-IBGZPJMESA-N 2 1 387.524 3.701 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCCO1 ZINC000432410707 842404617 /nfs/dbraw/zinc/40/46/17/842404617.db2.gz QYNSVDZIHAPXNH-ACJLOTCBSA-N 2 1 385.321 3.666 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CCCO1 ZINC000432410707 842404620 /nfs/dbraw/zinc/40/46/20/842404620.db2.gz QYNSVDZIHAPXNH-ACJLOTCBSA-N 2 1 385.321 3.666 20 0 GHADMP CN(C(=O)c1ccncc1)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000178471546 842421049 /nfs/dbraw/zinc/42/10/49/842421049.db2.gz XHUJJTBEJMSEGY-UHFFFAOYSA-N 2 1 380.536 3.711 20 0 GHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000327241557 842421439 /nfs/dbraw/zinc/42/14/39/842421439.db2.gz QKJOHOUGTDPYPR-QWQRMKEZSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCCO1 ZINC000432422753 842444133 /nfs/dbraw/zinc/44/41/33/842444133.db2.gz GPCJXGGIHGPSBG-CRAIPNDOSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCCO1 ZINC000432422753 842444137 /nfs/dbraw/zinc/44/41/37/842444137.db2.gz GPCJXGGIHGPSBG-CRAIPNDOSA-N 2 1 397.357 3.753 20 0 GHADMP CC1CCC(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000430673256 842451051 /nfs/dbraw/zinc/45/10/51/842451051.db2.gz ZONIAZXECXNEAY-UHFFFAOYSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000430678825 842457295 /nfs/dbraw/zinc/45/72/95/842457295.db2.gz OCBSLDSDGHGKRW-GOSISDBHSA-N 2 1 389.559 3.584 20 0 GHADMP Brc1cc2c(cc1C[NH+]1CCC(c3ncc[nH]3)CC1)OCCCO2 ZINC000329366778 861332540 /nfs/dbraw/zinc/33/25/40/861332540.db2.gz KPZKYZYYONEFCI-UHFFFAOYSA-N 2 1 392.297 3.713 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000249468417 842717944 /nfs/dbraw/zinc/71/79/44/842717944.db2.gz SXDMUJCPTSRGDF-SBHAEUEKSA-N 2 1 389.584 3.864 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000249468417 842717952 /nfs/dbraw/zinc/71/79/52/842717952.db2.gz SXDMUJCPTSRGDF-SBHAEUEKSA-N 2 1 389.584 3.864 20 0 GHADMP C[C@H](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@H]1CCC[NH2+]C1 ZINC000430697284 842763965 /nfs/dbraw/zinc/76/39/65/842763965.db2.gz AVGNJMWGYWJMEX-JCTONOIOSA-N 2 1 383.580 3.527 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123577548 842836072 /nfs/dbraw/zinc/83/60/72/842836072.db2.gz QSUZIZTXPDBPFU-UHFFFAOYSA-N 2 1 396.373 3.750 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)C[C@@H](C)O1 ZINC000518440437 842975440 /nfs/dbraw/zinc/97/54/40/842975440.db2.gz SYURIDKYSHUJRL-GVKUHWBJSA-N 2 1 394.506 3.568 20 0 GHADMP O=C(Cc1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1)Nc1ccccc1 ZINC000662293088 843084482 /nfs/dbraw/zinc/08/44/82/843084482.db2.gz JPPJPHQABPCMLR-SFHVURJKSA-N 2 1 398.576 3.536 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299033 843090520 /nfs/dbraw/zinc/09/05/20/843090520.db2.gz ZIHWFPAHJYKTOL-DOTOQJQBSA-N 2 1 393.959 3.696 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296016 843093212 /nfs/dbraw/zinc/09/32/12/843093212.db2.gz XGBSTLZTNWWCSH-YJBOKZPZSA-N 2 1 397.519 3.674 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296016 843093217 /nfs/dbraw/zinc/09/32/17/843093217.db2.gz XGBSTLZTNWWCSH-YJBOKZPZSA-N 2 1 397.519 3.674 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297196 843093233 /nfs/dbraw/zinc/09/32/33/843093233.db2.gz OHVBQFNNVTVAPN-PXNSSMCTSA-N 2 1 383.536 3.664 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000178535164 861380716 /nfs/dbraw/zinc/38/07/16/861380716.db2.gz ZXZBFLPOXGRFOV-RPWUZVMVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000178535164 861380726 /nfs/dbraw/zinc/38/07/26/861380726.db2.gz ZXZBFLPOXGRFOV-RPWUZVMVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000178535164 861380736 /nfs/dbraw/zinc/38/07/36/861380736.db2.gz ZXZBFLPOXGRFOV-RPWUZVMVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC/C=C\c2ccc(Br)cc2)CCO1 ZINC000662319321 843138023 /nfs/dbraw/zinc/13/80/23/843138023.db2.gz HHBJRCAYWREGDS-ORUDLHBZSA-N 2 1 381.358 3.895 20 0 GHADMP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)n2)c1 ZINC000279594199 843159383 /nfs/dbraw/zinc/15/93/83/843159383.db2.gz VPJNPCXVRSFBCE-IAGOWNOFSA-N 2 1 394.523 3.527 20 0 GHADMP Cc1ccc([C@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)[NH+]2CCCC2)o1 ZINC000510671766 843165801 /nfs/dbraw/zinc/16/58/01/843165801.db2.gz UBRLFLPLOICRKC-IBGZPJMESA-N 2 1 395.503 3.963 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCc3ccccc3C2)cc1)C(C)C ZINC000510694404 843208625 /nfs/dbraw/zinc/20/86/25/843208625.db2.gz IEXOSLRJZSBGBO-UHFFFAOYSA-N 2 1 379.548 3.705 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1)C(C)C ZINC000510694404 843208635 /nfs/dbraw/zinc/20/86/35/843208635.db2.gz IEXOSLRJZSBGBO-UHFFFAOYSA-N 2 1 379.548 3.705 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1)C(C)C ZINC000510694404 843208641 /nfs/dbraw/zinc/20/86/41/843208641.db2.gz IEXOSLRJZSBGBO-UHFFFAOYSA-N 2 1 379.548 3.705 20 0 GHADMP CN(C(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000512253536 843234505 /nfs/dbraw/zinc/23/45/05/843234505.db2.gz QFPGSJSOSPVMOL-DEOSSOPVSA-N 2 1 377.532 3.638 20 0 GHADMP CN(C(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000512253536 843234510 /nfs/dbraw/zinc/23/45/10/843234510.db2.gz QFPGSJSOSPVMOL-DEOSSOPVSA-N 2 1 377.532 3.638 20 0 GHADMP CN(C(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000512253536 843234519 /nfs/dbraw/zinc/23/45/19/843234519.db2.gz QFPGSJSOSPVMOL-DEOSSOPVSA-N 2 1 377.532 3.638 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc2)C1 ZINC000182304836 843242642 /nfs/dbraw/zinc/24/26/42/843242642.db2.gz RDKJOJFKPFRFFP-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc2)C1 ZINC000182304836 843242656 /nfs/dbraw/zinc/24/26/56/843242656.db2.gz RDKJOJFKPFRFFP-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc2)C1 ZINC000182304836 843242662 /nfs/dbraw/zinc/24/26/62/843242662.db2.gz RDKJOJFKPFRFFP-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cccc2c1C[NH2+]C2 ZINC000662451685 843276338 /nfs/dbraw/zinc/27/63/38/843276338.db2.gz DMGFLTQCJNBYHS-IBGZPJMESA-N 2 1 383.923 3.728 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cccc2c1C[NH2+]C2 ZINC000662451685 843276343 /nfs/dbraw/zinc/27/63/43/843276343.db2.gz DMGFLTQCJNBYHS-IBGZPJMESA-N 2 1 383.923 3.728 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000512272349 843294985 /nfs/dbraw/zinc/29/49/85/843294985.db2.gz SQUMCCBCTREVKS-UHFFFAOYSA-N 2 1 375.601 3.515 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H](c2cc[nH]n2)C1)CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000662504952 843350580 /nfs/dbraw/zinc/35/05/80/843350580.db2.gz NNOMFXZPGXLNEX-OWZKRDHZSA-N 2 1 384.572 3.608 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H](c2cc[nH]n2)C1)CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000662504952 843350591 /nfs/dbraw/zinc/35/05/91/843350591.db2.gz NNOMFXZPGXLNEX-OWZKRDHZSA-N 2 1 384.572 3.608 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H](c2cc[nH]n2)C1)CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000662504952 843350596 /nfs/dbraw/zinc/35/05/96/843350596.db2.gz NNOMFXZPGXLNEX-OWZKRDHZSA-N 2 1 384.572 3.608 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662675158 843513063 /nfs/dbraw/zinc/51/30/63/843513063.db2.gz JUJJACNAZVSVOZ-YCRPNKLZSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662675158 843513072 /nfs/dbraw/zinc/51/30/72/843513072.db2.gz JUJJACNAZVSVOZ-YCRPNKLZSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418675002 843526349 /nfs/dbraw/zinc/52/63/49/843526349.db2.gz PGOWFJYDEFVNIL-OFNKIYASSA-N 2 1 394.563 3.630 20 0 GHADMP CC[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418681259 843529546 /nfs/dbraw/zinc/52/95/46/843529546.db2.gz VIKDLPFZUZHJBP-DHIUTWEWSA-N 2 1 394.563 3.773 20 0 GHADMP CN(C(=O)c1coc(C(F)F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000626262180 843555883 /nfs/dbraw/zinc/55/58/83/843555883.db2.gz XUSUESYARBSMDV-SJORKVTESA-N 2 1 383.483 3.626 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000512393097 843626931 /nfs/dbraw/zinc/62/69/31/843626931.db2.gz NUWKUQMDODMKHC-PNJWGLBASA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512393097 843626937 /nfs/dbraw/zinc/62/69/37/843626937.db2.gz NUWKUQMDODMKHC-PNJWGLBASA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512393097 843626945 /nfs/dbraw/zinc/62/69/45/843626945.db2.gz NUWKUQMDODMKHC-PNJWGLBASA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397633 843655579 /nfs/dbraw/zinc/65/55/79/843655579.db2.gz GXDZCFNAILBWLD-IFMALSPDSA-N 2 1 388.600 3.516 20 0 GHADMP c1ncc(C[N@H+]2CCSC[C@H]2C2CC2)cc1C[NH+]1CCSC[C@H]1C1CC1 ZINC000581984831 843707763 /nfs/dbraw/zinc/70/77/63/843707763.db2.gz PMMLKEYPBJDEQY-SFTDATJTSA-N 2 1 389.634 3.736 20 0 GHADMP C[C@@H]1C[N@H+](CC2CCN(Cc3cc(F)ccc3Br)CC2)C[C@H](C)O1 ZINC000303240890 843726591 /nfs/dbraw/zinc/72/65/91/843726591.db2.gz JOULNYSEISQLJO-GASCZTMLSA-N 2 1 399.348 3.909 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(F)ccc3Br)CC2)C[C@H](C)O1 ZINC000303240890 843726601 /nfs/dbraw/zinc/72/66/01/843726601.db2.gz JOULNYSEISQLJO-GASCZTMLSA-N 2 1 399.348 3.909 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(F)ccc3Br)CC2)C[C@H](C)O1 ZINC000303240890 843726614 /nfs/dbraw/zinc/72/66/14/843726614.db2.gz JOULNYSEISQLJO-GASCZTMLSA-N 2 1 399.348 3.909 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001167822606 843732940 /nfs/dbraw/zinc/73/29/40/843732940.db2.gz IVSZEIQYTKKVHR-RTWAWAEBSA-N 3 1 391.600 3.845 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@H](N(C)Cc3ccco3)CO2)CC1 ZINC001167822606 843732950 /nfs/dbraw/zinc/73/29/50/843732950.db2.gz IVSZEIQYTKKVHR-RTWAWAEBSA-N 2 1 391.600 3.845 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)c2)cc1 ZINC000432793223 843844193 /nfs/dbraw/zinc/84/41/93/843844193.db2.gz NRGAEQNGNMRWBS-NRFANRHFSA-N 2 1 381.520 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)c2)cc1 ZINC000432793223 843844204 /nfs/dbraw/zinc/84/42/04/843844204.db2.gz NRGAEQNGNMRWBS-NRFANRHFSA-N 2 1 381.520 3.864 20 0 GHADMP CCn1c(C)cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1C ZINC000535850711 844812908 /nfs/dbraw/zinc/81/29/08/844812908.db2.gz LGXVEGUCABQQBM-YADHBBJMSA-N 2 1 388.600 3.534 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000282437043 861513665 /nfs/dbraw/zinc/51/36/65/861513665.db2.gz MUFNEFKNWMHUKG-OIBXWCBGSA-N 2 1 392.547 3.936 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000282437043 861513683 /nfs/dbraw/zinc/51/36/83/861513683.db2.gz MUFNEFKNWMHUKG-OIBXWCBGSA-N 2 1 392.547 3.936 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000282437056 861515231 /nfs/dbraw/zinc/51/52/31/861515231.db2.gz MUFNEFKNWMHUKG-WTIAFYNJSA-N 2 1 392.547 3.936 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000282437056 861515242 /nfs/dbraw/zinc/51/52/42/861515242.db2.gz MUFNEFKNWMHUKG-WTIAFYNJSA-N 2 1 392.547 3.936 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512669328 844978443 /nfs/dbraw/zinc/97/84/43/844978443.db2.gz ZNFSMMQXQRXJMC-LYCSZFELSA-N 2 1 397.607 3.960 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000513237866 845125511 /nfs/dbraw/zinc/12/55/11/845125511.db2.gz GOZHUOCPMOHNGL-BRKWEVRTSA-N 2 1 388.502 3.866 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000513237866 845125514 /nfs/dbraw/zinc/12/55/14/845125514.db2.gz GOZHUOCPMOHNGL-BRKWEVRTSA-N 2 1 388.502 3.866 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCCCC1 ZINC000433116324 845332165 /nfs/dbraw/zinc/33/21/65/845332165.db2.gz LXRFXKCDLXMUEQ-UHFFFAOYSA-N 3 1 386.584 3.593 20 0 GHADMP C[N@H+](Cc1ccccc1NC(=O)CCCN1CCC([NH3+])CC1)C1CCCCC1 ZINC000433116324 845332168 /nfs/dbraw/zinc/33/21/68/845332168.db2.gz LXRFXKCDLXMUEQ-UHFFFAOYSA-N 2 1 386.584 3.593 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)CCCN1CCC([NH3+])CC1)C1CCCCC1 ZINC000433116324 845332193 /nfs/dbraw/zinc/33/21/93/845332193.db2.gz LXRFXKCDLXMUEQ-UHFFFAOYSA-N 2 1 386.584 3.593 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(F)c(F)c1 ZINC000433112892 845348224 /nfs/dbraw/zinc/34/82/24/845348224.db2.gz KANPYPYNHCZXOA-UHFFFAOYSA-N 2 1 399.485 3.891 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(F)c(F)c1 ZINC000433112892 845348235 /nfs/dbraw/zinc/34/82/35/845348235.db2.gz KANPYPYNHCZXOA-UHFFFAOYSA-N 2 1 399.485 3.891 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513499482 845553004 /nfs/dbraw/zinc/55/30/04/845553004.db2.gz GRRZIHFNLDRKSJ-CTNGQTDRSA-N 2 1 389.547 3.872 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)Cc1ccc(F)cc1 ZINC000411531798 845553532 /nfs/dbraw/zinc/55/35/32/845553532.db2.gz LOVHXCKGRQAVPA-OALUTQOASA-N 2 1 397.538 3.530 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433964317 845674996 /nfs/dbraw/zinc/67/49/96/845674996.db2.gz IOMRIVNLYSHJHE-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433964317 845675002 /nfs/dbraw/zinc/67/50/02/845675002.db2.gz IOMRIVNLYSHJHE-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433964317 845675007 /nfs/dbraw/zinc/67/50/07/845675007.db2.gz IOMRIVNLYSHJHE-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000472086064 845767455 /nfs/dbraw/zinc/76/74/55/845767455.db2.gz UZAWXKSPMKYPIC-IFMALSPDSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657310019 845979979 /nfs/dbraw/zinc/97/99/79/845979979.db2.gz JWNHRMJWXOWIFG-IBGZPJMESA-N 3 1 375.520 3.932 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccnn2-c2ccncc2)cc1 ZINC000657310019 845979984 /nfs/dbraw/zinc/97/99/84/845979984.db2.gz JWNHRMJWXOWIFG-IBGZPJMESA-N 2 1 375.520 3.932 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2-c2ccncc2)cc1 ZINC000657310019 845979991 /nfs/dbraw/zinc/97/99/91/845979991.db2.gz JWNHRMJWXOWIFG-IBGZPJMESA-N 2 1 375.520 3.932 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000582057991 846185304 /nfs/dbraw/zinc/18/53/04/846185304.db2.gz LUSDMGQOKCJPND-AUSIDOKSSA-N 2 1 382.548 3.804 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000582122938 846419622 /nfs/dbraw/zinc/41/96/22/846419622.db2.gz TYIKWPIIYKNSET-ROUUACIJSA-N 2 1 381.520 3.541 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000502839195 846509584 /nfs/dbraw/zinc/50/95/84/846509584.db2.gz DDWMLKVAHVWTPE-SNMYMPMCSA-N 2 1 398.595 3.682 20 0 GHADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCCc2ccccc21 ZINC000502833937 846529080 /nfs/dbraw/zinc/52/90/80/846529080.db2.gz PLVCDIPXNFTFRA-UHFFFAOYSA-N 2 1 392.547 3.768 20 0 GHADMP C(=C\C[N@H+]1CC[C@@H](Cc2nccs2)C1)\C[NH+]1CC[C@H](Cc2nccs2)C1 ZINC000934329979 846529153 /nfs/dbraw/zinc/52/91/53/846529153.db2.gz DDOQMKZZCKZPGW-OEHAVNEVSA-N 2 1 388.606 3.585 20 0 GHADMP C(=C\C[N@@H+]1CC[C@H](Cc2nccs2)C1)\C[NH+]1CC[C@@H](Cc2nccs2)C1 ZINC000934329979 846529160 /nfs/dbraw/zinc/52/91/60/846529160.db2.gz DDOQMKZZCKZPGW-OEHAVNEVSA-N 2 1 388.606 3.585 20 0 GHADMP C(=C\C[N@H+]1CC[C@H](Cc2nccs2)C1)\C[NH+]1CC[C@@H](Cc2nccs2)C1 ZINC000934329979 846529168 /nfs/dbraw/zinc/52/91/68/846529168.db2.gz DDOQMKZZCKZPGW-OEHAVNEVSA-N 2 1 388.606 3.585 20 0 GHADMP C(=C\C[N@H+]1CC[C@H](Cc2nccs2)C1)\C[NH+]1CC[C@H](Cc2nccs2)C1 ZINC000934329977 846529297 /nfs/dbraw/zinc/52/92/97/846529297.db2.gz DDOQMKZZCKZPGW-FKAFAWJWSA-N 2 1 388.606 3.585 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000502849166 846543285 /nfs/dbraw/zinc/54/32/85/846543285.db2.gz WSQVKBHNHFEKTL-NJDAHSKKSA-N 2 1 380.621 3.556 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502852453 846545560 /nfs/dbraw/zinc/54/55/60/846545560.db2.gz GHQCIPYNFBBYGW-CSODHUTKSA-N 2 1 395.950 3.853 20 0 GHADMP CSc1cccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501024492 846559019 /nfs/dbraw/zinc/55/90/19/846559019.db2.gz CLZJAFGVYYSEIU-UHFFFAOYSA-N 2 1 384.549 3.590 20 0 GHADMP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501024919 846559037 /nfs/dbraw/zinc/55/90/37/846559037.db2.gz OVIZKNZDXIFOGX-QGZVFWFLSA-N 2 1 398.576 3.979 20 0 GHADMP CCN(C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501050887 846578133 /nfs/dbraw/zinc/57/81/33/846578133.db2.gz LWROPCKAAUCTNQ-IBGZPJMESA-N 2 1 380.536 3.671 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501064369 846595838 /nfs/dbraw/zinc/59/58/38/846595838.db2.gz WAMKIWHHOFEDIU-QZTJIDSGSA-N 2 1 398.526 3.635 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501077565 846620074 /nfs/dbraw/zinc/62/00/74/846620074.db2.gz IUEOOZDQHCHJSV-INIZCTEOSA-N 2 1 386.927 3.910 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)ccc21 ZINC000501140751 846681946 /nfs/dbraw/zinc/68/19/46/846681946.db2.gz IEUQCDLXMHTPBQ-UHFFFAOYSA-N 2 1 378.564 3.884 20 0 GHADMP CC[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC1(C)C ZINC000419597522 846682674 /nfs/dbraw/zinc/68/26/74/846682674.db2.gz RNFKPLSRDMYSPM-SFTDATJTSA-N 2 1 392.632 3.649 20 0 GHADMP COC(=O)[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccccc1 ZINC000161197821 846710051 /nfs/dbraw/zinc/71/00/51/846710051.db2.gz ZFYNLGJNIUCXIV-JOCHJYFZSA-N 2 1 381.520 3.791 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000414563248 846746350 /nfs/dbraw/zinc/74/63/50/846746350.db2.gz VVZDQNYGPFHUMT-GOSISDBHSA-N 2 1 384.524 3.910 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH2+][C@H](C)c1ccccc1 ZINC000503079080 846783521 /nfs/dbraw/zinc/78/35/21/846783521.db2.gz AMWKDZKRAUGAQX-HMXCVIKNSA-N 2 1 386.584 3.822 20 0 GHADMP Cc1nccn1CCCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000503080590 846784015 /nfs/dbraw/zinc/78/40/15/846784015.db2.gz MFWQFVHAOAPKGF-IBGZPJMESA-N 2 1 380.492 3.612 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000503080590 846784025 /nfs/dbraw/zinc/78/40/25/846784025.db2.gz MFWQFVHAOAPKGF-IBGZPJMESA-N 2 1 380.492 3.612 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000503112635 846822923 /nfs/dbraw/zinc/82/29/23/846822923.db2.gz RSDYZJOYYGLJCJ-SIKLNZKXSA-N 2 1 394.563 3.690 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000109789662 846856795 /nfs/dbraw/zinc/85/67/95/846856795.db2.gz DQHFXIRDTPABRP-UHFFFAOYSA-N 2 1 389.543 3.633 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)N1CCOCC1 ZINC000582368924 846969192 /nfs/dbraw/zinc/96/91/92/846969192.db2.gz VUPBFGTVECJQFU-KNQAVFIVSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000582368924 846969199 /nfs/dbraw/zinc/96/91/99/846969199.db2.gz VUPBFGTVECJQFU-KNQAVFIVSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)[NH+]1CCOCC1 ZINC000582368924 846969204 /nfs/dbraw/zinc/96/92/04/846969204.db2.gz VUPBFGTVECJQFU-KNQAVFIVSA-N 2 1 393.531 3.540 20 0 GHADMP C[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1=CC[NH+](C)CC1 ZINC000272629307 847129492 /nfs/dbraw/zinc/12/94/92/847129492.db2.gz BEEYBGLDLDJRDT-IBGZPJMESA-N 2 1 377.532 3.699 20 0 GHADMP C[C@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)C1=CC[N@H+](C)CC1 ZINC000272629307 847129496 /nfs/dbraw/zinc/12/94/96/847129496.db2.gz BEEYBGLDLDJRDT-IBGZPJMESA-N 2 1 377.532 3.699 20 0 GHADMP C[C@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)C1=CC[N@@H+](C)CC1 ZINC000272629307 847129504 /nfs/dbraw/zinc/12/95/04/847129504.db2.gz BEEYBGLDLDJRDT-IBGZPJMESA-N 2 1 377.532 3.699 20 0 GHADMP C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272673731 847141860 /nfs/dbraw/zinc/14/18/60/847141860.db2.gz QGRJLAZEMAJZLN-GMAHTHKFSA-N 2 1 385.596 3.522 20 0 GHADMP CCn1c(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)nc2cc(F)ccc21 ZINC000501790468 847185553 /nfs/dbraw/zinc/18/55/53/847185553.db2.gz CUPAFMTUAQUJBY-UHFFFAOYSA-N 2 1 390.547 3.766 20 0 GHADMP CCn1c(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)nc2cc(F)ccc21 ZINC000501790468 847185557 /nfs/dbraw/zinc/18/55/57/847185557.db2.gz CUPAFMTUAQUJBY-UHFFFAOYSA-N 2 1 390.547 3.766 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CCC([NH+](C)C)CC3)cc2)C1 ZINC000420788788 847453052 /nfs/dbraw/zinc/45/30/52/847453052.db2.gz XLHOZGCTBHPKNN-XTWGIRIWSA-N 2 1 386.584 3.591 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1CN1CCOCC1 ZINC000420897578 847516847 /nfs/dbraw/zinc/51/68/47/847516847.db2.gz BBQKRZKEAJTMCR-DEOSSOPVSA-N 2 1 385.596 3.607 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1CN1CCOCC1 ZINC000420897578 847516853 /nfs/dbraw/zinc/51/68/53/847516853.db2.gz BBQKRZKEAJTMCR-DEOSSOPVSA-N 2 1 385.596 3.607 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422727990 847801111 /nfs/dbraw/zinc/80/11/11/847801111.db2.gz IMWVJIOPDWEJGX-WIYYLYMNSA-N 2 1 395.551 3.804 20 0 GHADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422801912 847829703 /nfs/dbraw/zinc/82/97/03/847829703.db2.gz COGDKASTNAVALI-IUIKQTSFSA-N 2 1 385.455 3.671 20 0 GHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422858449 847857663 /nfs/dbraw/zinc/85/76/63/847857663.db2.gz IRVSJHFLJHXVFU-BRWVUGGUSA-N 2 1 383.517 3.803 20 0 GHADMP Cc1ccc(COc2ccc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cc2)cc1 ZINC000237172232 847858881 /nfs/dbraw/zinc/85/88/81/847858881.db2.gz QUUUPUORUOPFJH-UHFFFAOYSA-N 2 1 381.564 3.691 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C2)CC1 ZINC000582632938 847875335 /nfs/dbraw/zinc/87/53/35/847875335.db2.gz FWSUFMCVNOVQJK-HNNXBMFYSA-N 2 1 394.350 3.738 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCc3cccnc32)c1)C1CCOCC1 ZINC000684955401 847884941 /nfs/dbraw/zinc/88/49/41/847884941.db2.gz KACSUYOVJZAYDI-HSZRJFAPSA-N 2 1 395.547 3.738 20 0 GHADMP COc1ccc([C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)c2ccccc2)cc1Br ZINC000422979652 847926766 /nfs/dbraw/zinc/92/67/66/847926766.db2.gz KCTPNLDYKNFLLB-DJJJIMSYSA-N 2 1 375.310 3.745 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3N3CCCC3)cc2)C1 ZINC000657595334 848288160 /nfs/dbraw/zinc/28/81/60/848288160.db2.gz HAMKSAXJAAEHGD-HXUWFJFHSA-N 2 1 399.966 3.797 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000078804612 848678721 /nfs/dbraw/zinc/67/87/21/848678721.db2.gz MYSZIAGNMKEXBL-INIZCTEOSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000078804612 848678725 /nfs/dbraw/zinc/67/87/25/848678725.db2.gz MYSZIAGNMKEXBL-INIZCTEOSA-N 2 1 375.340 3.538 20 0 GHADMP Cc1nc(C)c(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000628202208 849022482 /nfs/dbraw/zinc/02/24/82/849022482.db2.gz LDPZWXYMVUICFD-UHFFFAOYSA-N 2 1 390.531 3.903 20 0 GHADMP COc1cc2[nH+]c(NC3CC[NH+](CC4CCCCC4)CC3)nc(N)c2cc1OC ZINC000731995737 862018169 /nfs/dbraw/zinc/01/81/69/862018169.db2.gz BIVUBFBHIWRYGL-UHFFFAOYSA-N 2 1 399.539 3.686 20 0 GHADMP CC[C@@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1c(C)noc1C ZINC000155799663 849643564 /nfs/dbraw/zinc/64/35/64/849643564.db2.gz SDZVBVVJSNZDHI-DYESRHJHSA-N 2 1 398.551 3.501 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@H](C)C1 ZINC000503913534 849773357 /nfs/dbraw/zinc/77/33/57/849773357.db2.gz WCAWQQSABPUZIK-XLBJILASSA-N 2 1 378.532 3.807 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Br ZINC000423184413 849775513 /nfs/dbraw/zinc/77/55/13/849775513.db2.gz HXQKEPYKLFKQGF-CQSZACIVSA-N 2 1 378.314 3.683 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000472286022 849853490 /nfs/dbraw/zinc/85/34/90/849853490.db2.gz HJKPFEHFULAHRN-HSZRJFAPSA-N 2 1 395.547 3.872 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000423343866 849862675 /nfs/dbraw/zinc/86/26/75/849862675.db2.gz WHVGOCNXNMBKJG-FISOAXRRSA-N 2 1 393.575 3.783 20 0 GHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(Br)c1 ZINC000423504775 849946156 /nfs/dbraw/zinc/94/61/56/849946156.db2.gz HBJYSNZPHMYVCS-ACBHZAAOSA-N 2 1 398.364 3.845 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2cccc(Br)c21 ZINC000423523992 849967413 /nfs/dbraw/zinc/96/74/13/849967413.db2.gz WQTLIWYHMGZTME-QAVIERHMSA-N 2 1 392.385 3.803 20 0 GHADMP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000423754127 850044198 /nfs/dbraw/zinc/04/41/98/850044198.db2.gz YIDGCBIKJVDATD-DNVCBOLYSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1 ZINC000423806873 850064619 /nfs/dbraw/zinc/06/46/19/850064619.db2.gz IZTCQPMHJLWRAD-GFCCVEGCSA-N 2 1 376.298 3.783 20 0 GHADMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000423813729 850068522 /nfs/dbraw/zinc/06/85/22/850068522.db2.gz SGELMFPIXAXZIM-SCLBCKFNSA-N 2 1 386.367 3.693 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1)C1CC1 ZINC000504560638 850146674 /nfs/dbraw/zinc/14/66/74/850146674.db2.gz IOYQKBFELMTCEG-UHFFFAOYSA-N 2 1 381.520 3.864 20 0 GHADMP O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168371902 850216349 /nfs/dbraw/zinc/21/63/49/850216349.db2.gz KEFVQDFLYLULSF-QFIPXVFZSA-N 2 1 383.536 3.519 20 0 GHADMP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486967355 850283384 /nfs/dbraw/zinc/28/33/84/850283384.db2.gz CYCBBRBRZARTEQ-CEWLAPEOSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000486964160 850302574 /nfs/dbraw/zinc/30/25/74/850302574.db2.gz GVQKTEAUEJPYHF-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000486964160 850302580 /nfs/dbraw/zinc/30/25/80/850302580.db2.gz GVQKTEAUEJPYHF-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000514805559 850312545 /nfs/dbraw/zinc/31/25/45/850312545.db2.gz XZKIPEVOGLVPOU-WMLDXEAASA-N 2 1 397.357 3.773 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000514805559 850312557 /nfs/dbraw/zinc/31/25/57/850312557.db2.gz XZKIPEVOGLVPOU-WMLDXEAASA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000514805559 850312570 /nfs/dbraw/zinc/31/25/70/850312570.db2.gz XZKIPEVOGLVPOU-WMLDXEAASA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000514805559 850312581 /nfs/dbraw/zinc/31/25/81/850312581.db2.gz XZKIPEVOGLVPOU-WMLDXEAASA-N 2 1 397.357 3.773 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC[NH2+]CC2 ZINC000424302105 850371746 /nfs/dbraw/zinc/37/17/46/850371746.db2.gz YXUYZQDXVKGZQL-XMSQKQJNSA-N 2 1 397.588 3.808 20 0 GHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)C[C@H]2C1 ZINC000424348584 850377381 /nfs/dbraw/zinc/37/73/81/850377381.db2.gz LUPBDCIMVMBNHO-HUUMMWPTSA-N 2 1 398.591 3.708 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cn(-c3ccc(Cl)c(Cl)c3)nn1)CC[NH2+]CC2 ZINC000424370857 850410788 /nfs/dbraw/zinc/41/07/88/850410788.db2.gz CWFYKYHEFXPOFC-ZDUSSCGKSA-N 2 1 380.323 3.538 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000424435603 850468543 /nfs/dbraw/zinc/46/85/43/850468543.db2.gz LDCVGXMCPXUZAQ-FRIKZZABSA-N 2 1 378.520 3.771 20 0 GHADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cn(Cc4ccccc4)c4ccccc34)CC2)C1 ZINC000668740238 850470069 /nfs/dbraw/zinc/47/00/69/850470069.db2.gz GZHPRIFSQFKMIU-HSZRJFAPSA-N 2 1 389.543 3.721 20 0 GHADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cn(Cc4ccccc4)c4ccccc34)CC2)C1 ZINC000668740238 850470075 /nfs/dbraw/zinc/47/00/75/850470075.db2.gz GZHPRIFSQFKMIU-HSZRJFAPSA-N 2 1 389.543 3.721 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)n2)cc1 ZINC000515006174 850575932 /nfs/dbraw/zinc/57/59/32/850575932.db2.gz WFXAYDXLADMKCO-VQTJNVASSA-N 2 1 384.524 3.578 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000519206183 850759972 /nfs/dbraw/zinc/75/99/72/850759972.db2.gz OWRSJJCBNFNXDM-NZQKXSOJSA-N 2 1 398.595 3.688 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCO1 ZINC000668785438 850766009 /nfs/dbraw/zinc/76/60/09/850766009.db2.gz QDJWIUQFPIAKTN-SFHVURJKSA-N 2 1 396.457 3.638 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCO1 ZINC000668785438 850766013 /nfs/dbraw/zinc/76/60/13/850766013.db2.gz QDJWIUQFPIAKTN-SFHVURJKSA-N 2 1 396.457 3.638 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435693038 850771467 /nfs/dbraw/zinc/77/14/67/850771467.db2.gz IFQPKKGHKZHPDF-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435693038 850771471 /nfs/dbraw/zinc/77/14/71/850771471.db2.gz IFQPKKGHKZHPDF-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C(C)(C)C ZINC000522613451 862182338 /nfs/dbraw/zinc/18/23/38/862182338.db2.gz PBUGZTBFOIKWJV-ROUUACIJSA-N 2 1 382.980 3.608 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000487882009 850949673 /nfs/dbraw/zinc/94/96/73/850949673.db2.gz PRLXQNSIXWBVAQ-DEOSSOPVSA-N 2 1 394.563 3.602 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC000440259926 850974244 /nfs/dbraw/zinc/97/42/44/850974244.db2.gz MJRCPTWWESTYME-XMSQKQJNSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC000440259926 850974248 /nfs/dbraw/zinc/97/42/48/850974248.db2.gz MJRCPTWWESTYME-XMSQKQJNSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC000440259926 850974252 /nfs/dbraw/zinc/97/42/52/850974252.db2.gz MJRCPTWWESTYME-XMSQKQJNSA-N 2 1 385.552 3.753 20 0 GHADMP CO[C@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000513903217 850995482 /nfs/dbraw/zinc/99/54/82/850995482.db2.gz BRAJUUKRGOTXGL-LLGFUMIMSA-N 2 1 380.960 3.849 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C(=[NH2+])NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167966698 851085293 /nfs/dbraw/zinc/08/52/93/851085293.db2.gz ZVPZJRSFPZJUKD-YQQQUEKLSA-N 2 1 390.572 3.606 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)c2cccs2)CC1 ZINC000515531553 851139872 /nfs/dbraw/zinc/13/98/72/851139872.db2.gz WVCHMTSGYPJLAO-AWEZNQCLSA-N 2 1 389.512 3.907 20 0 GHADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1-n1cncn1 ZINC000569979423 851148853 /nfs/dbraw/zinc/14/88/53/851148853.db2.gz SZLCOFOFJPWASH-DHIUTWEWSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1-n1cncn1 ZINC000569979423 851148859 /nfs/dbraw/zinc/14/88/59/851148859.db2.gz SZLCOFOFJPWASH-DHIUTWEWSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1-n1cncn1 ZINC000569979423 851148866 /nfs/dbraw/zinc/14/88/66/851148866.db2.gz SZLCOFOFJPWASH-DHIUTWEWSA-N 2 1 387.531 3.530 20 0 GHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000434544908 851263306 /nfs/dbraw/zinc/26/33/06/851263306.db2.gz PVDUTGADEVWAKK-HKUYNNGSSA-N 2 1 377.598 3.882 20 0 GHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000434544908 851263321 /nfs/dbraw/zinc/26/33/21/851263321.db2.gz PVDUTGADEVWAKK-HKUYNNGSSA-N 2 1 377.598 3.882 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000514214401 851396978 /nfs/dbraw/zinc/39/69/78/851396978.db2.gz MYMMQPGMNDRKNP-PZJWPPBQSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000488345727 851412315 /nfs/dbraw/zinc/41/23/15/851412315.db2.gz IFEAFIOLFBZVHT-DWYIHVRCSA-N 2 1 389.971 3.568 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000488345727 851412324 /nfs/dbraw/zinc/41/23/24/851412324.db2.gz IFEAFIOLFBZVHT-DWYIHVRCSA-N 2 1 389.971 3.568 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000488345727 851412329 /nfs/dbraw/zinc/41/23/29/851412329.db2.gz IFEAFIOLFBZVHT-DWYIHVRCSA-N 2 1 389.971 3.568 20 0 GHADMP CC(C)(C)OC(=O)NCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167971528 851530147 /nfs/dbraw/zinc/53/01/47/851530147.db2.gz XJBQPRLFDHMPSO-YQQQUEKLSA-N 2 1 377.573 3.819 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000111089023 851535400 /nfs/dbraw/zinc/53/54/00/851535400.db2.gz SIMMJMXLMACRID-QHCPKHFHSA-N 2 1 379.548 3.804 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCCO2 ZINC000894600909 851757661 /nfs/dbraw/zinc/75/76/61/851757661.db2.gz NOIVCWCVUJZWOS-NHCUHLMSSA-N 2 1 388.527 3.608 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473734381 851790537 /nfs/dbraw/zinc/79/05/37/851790537.db2.gz JZAUCVHXVGXBGJ-YXPZWWFCSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473734381 851790542 /nfs/dbraw/zinc/79/05/42/851790542.db2.gz JZAUCVHXVGXBGJ-YXPZWWFCSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473734381 851790546 /nfs/dbraw/zinc/79/05/46/851790546.db2.gz JZAUCVHXVGXBGJ-YXPZWWFCSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473743584 851818159 /nfs/dbraw/zinc/81/81/59/851818159.db2.gz NQPQMNIKXZSFSE-PSWRPDDJSA-N 2 1 386.584 3.726 20 0 GHADMP CC1(C)C[N@H+](Cc2cn(CC3CC3)nn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837940 851896968 /nfs/dbraw/zinc/89/69/68/851896968.db2.gz QFCAXTXHNUQHPR-HSZRJFAPSA-N 2 1 393.579 3.811 20 0 GHADMP CC1(C)C[N@@H+](Cc2cn(CC3CC3)nn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837940 851896972 /nfs/dbraw/zinc/89/69/72/851896972.db2.gz QFCAXTXHNUQHPR-HSZRJFAPSA-N 2 1 393.579 3.811 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000517419522 851925198 /nfs/dbraw/zinc/92/51/98/851925198.db2.gz ORCDBFOWNNUIJA-QZTJIDSGSA-N 2 1 390.597 3.620 20 0 GHADMP CN1c2ccc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc2CCC1=O ZINC000186931400 862299666 /nfs/dbraw/zinc/29/96/66/862299666.db2.gz FJOKWDDURVHKGV-UHFFFAOYSA-N 2 1 391.559 3.940 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000111834911 851939426 /nfs/dbraw/zinc/93/94/26/851939426.db2.gz OGQMNHXMYYUYIQ-ZSJMHYJMSA-N 2 1 398.595 3.603 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(OC)c1 ZINC000506926715 852345392 /nfs/dbraw/zinc/34/53/92/852345392.db2.gz GEFPAWPWDCBESI-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000506933418 852360583 /nfs/dbraw/zinc/36/05/83/852360583.db2.gz OLYIYZSWBJWYGR-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000506958462 852385402 /nfs/dbraw/zinc/38/54/02/852385402.db2.gz YRUBLRKFSKNQCB-MBDNFAEBSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000506958462 852385406 /nfs/dbraw/zinc/38/54/06/852385406.db2.gz YRUBLRKFSKNQCB-MBDNFAEBSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000506958462 852385416 /nfs/dbraw/zinc/38/54/16/852385416.db2.gz YRUBLRKFSKNQCB-MBDNFAEBSA-N 2 1 392.632 3.650 20 0 GHADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCCC1 ZINC000426797410 852407931 /nfs/dbraw/zinc/40/79/31/852407931.db2.gz FFWJXEDCIKCULY-IEBWSBKVSA-N 2 1 377.598 3.759 20 0 GHADMP COCCOc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000516347927 852452557 /nfs/dbraw/zinc/45/25/57/852452557.db2.gz JTYLQFCPKYESEX-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000516347927 852452574 /nfs/dbraw/zinc/45/25/74/852452574.db2.gz JTYLQFCPKYESEX-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000516347927 852452580 /nfs/dbraw/zinc/45/25/80/852452580.db2.gz JTYLQFCPKYESEX-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000489660631 852514431 /nfs/dbraw/zinc/51/44/31/852514431.db2.gz SCWSRRKHWCBPLG-UHFFFAOYSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000489660631 852514441 /nfs/dbraw/zinc/51/44/41/852514441.db2.gz SCWSRRKHWCBPLG-UHFFFAOYSA-N 2 1 383.511 3.917 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426046172 852522444 /nfs/dbraw/zinc/52/24/44/852522444.db2.gz XKYHPWLRVFLFHD-VXKWHMMOSA-N 2 1 387.955 3.845 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489679833 852527417 /nfs/dbraw/zinc/52/74/17/852527417.db2.gz QEZNGXUQLLHZAK-HXUWFJFHSA-N 2 1 391.559 3.808 20 0 GHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000438530997 852528987 /nfs/dbraw/zinc/52/89/87/852528987.db2.gz CSWJLPCUHKLLQS-FQEVSTJZSA-N 2 1 385.577 3.551 20 0 GHADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984504 852538785 /nfs/dbraw/zinc/53/87/85/852538785.db2.gz PJOFSJAKVRUQCS-CMZZOHRZSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984504 852538794 /nfs/dbraw/zinc/53/87/94/852538794.db2.gz PJOFSJAKVRUQCS-CMZZOHRZSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001167984504 852538804 /nfs/dbraw/zinc/53/88/04/852538804.db2.gz PJOFSJAKVRUQCS-CMZZOHRZSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000438573506 852573387 /nfs/dbraw/zinc/57/33/87/852573387.db2.gz LHKKKAFNYAVMAM-RTBURBONSA-N 2 1 395.547 3.652 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000426991809 852596476 /nfs/dbraw/zinc/59/64/76/852596476.db2.gz OPHAVHFMTCBUTP-HSZRJFAPSA-N 2 1 387.527 3.527 20 0 GHADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000426991809 852596483 /nfs/dbraw/zinc/59/64/83/852596483.db2.gz OPHAVHFMTCBUTP-HSZRJFAPSA-N 2 1 387.527 3.527 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(OC)ncc3F)CC2)cs1 ZINC000516502102 852656266 /nfs/dbraw/zinc/65/62/66/852656266.db2.gz SLTXVJDACHBPJS-AWEZNQCLSA-N 2 1 392.544 3.811 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000489954489 852670070 /nfs/dbraw/zinc/67/00/70/852670070.db2.gz GDBJCKFZIFXQSL-QFIPXVFZSA-N 2 1 397.588 3.909 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000489954489 852670074 /nfs/dbraw/zinc/67/00/74/852670074.db2.gz GDBJCKFZIFXQSL-QFIPXVFZSA-N 2 1 397.588 3.909 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000516638794 852812166 /nfs/dbraw/zinc/81/21/66/852812166.db2.gz USXCWDIVKUDMNC-XMSQKQJNSA-N 2 1 396.535 3.634 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947001 852820011 /nfs/dbraw/zinc/82/00/11/852820011.db2.gz KFKYHZJNZZIODK-PBHICJAKSA-N 2 1 391.357 3.988 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000507415370 852886486 /nfs/dbraw/zinc/88/64/86/852886486.db2.gz WNOKSBRICOTGKK-PMACEKPBSA-N 2 1 386.584 3.681 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(OC)c1 ZINC000507491495 852973589 /nfs/dbraw/zinc/97/35/89/852973589.db2.gz CAOBYAJKVYCJDV-STZQEDGTSA-N 2 1 396.531 3.713 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c(OC)c1 ZINC000507491495 852973597 /nfs/dbraw/zinc/97/35/97/852973597.db2.gz CAOBYAJKVYCJDV-STZQEDGTSA-N 2 1 396.531 3.713 20 0 GHADMP C[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)[C@H]1c1ccccc1 ZINC000507535448 852996519 /nfs/dbraw/zinc/99/65/19/852996519.db2.gz VIOGIAGRIZEVRG-UUFXTFJOSA-N 2 1 375.560 3.932 20 0 GHADMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H]1c1ccccc1 ZINC000507535448 852996525 /nfs/dbraw/zinc/99/65/25/852996525.db2.gz VIOGIAGRIZEVRG-UUFXTFJOSA-N 2 1 375.560 3.932 20 0 GHADMP C[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H]1c1ccccc1 ZINC000507535448 852996529 /nfs/dbraw/zinc/99/65/29/852996529.db2.gz VIOGIAGRIZEVRG-UUFXTFJOSA-N 2 1 375.560 3.932 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H]1c1ccccc1 ZINC000507535448 852996535 /nfs/dbraw/zinc/99/65/35/852996535.db2.gz VIOGIAGRIZEVRG-UUFXTFJOSA-N 2 1 375.560 3.932 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H]1c1ccccc1 ZINC000507535448 852996542 /nfs/dbraw/zinc/99/65/42/852996542.db2.gz VIOGIAGRIZEVRG-UUFXTFJOSA-N 2 1 375.560 3.932 20 0 GHADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437347656 853044790 /nfs/dbraw/zinc/04/47/90/853044790.db2.gz PNQIOGSGGYZLMM-ICSRJNTNSA-N 2 1 387.568 3.720 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000518211948 853076833 /nfs/dbraw/zinc/07/68/33/853076833.db2.gz NZKFLDZZOHKPRV-JOCHJYFZSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000506441059 853093556 /nfs/dbraw/zinc/09/35/56/853093556.db2.gz PWNHNFRYVKWNPZ-RTBURBONSA-N 2 1 389.609 3.609 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C[C@H](C)O1 ZINC000427540472 853200294 /nfs/dbraw/zinc/20/02/94/853200294.db2.gz MSNOVPXDHZWYNP-DAYGRLMNSA-N 2 1 385.474 3.957 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472356 853223603 /nfs/dbraw/zinc/22/36/03/853223603.db2.gz TVTFSNSWVQOPHY-UXHICEINSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472356 853223612 /nfs/dbraw/zinc/22/36/12/853223612.db2.gz TVTFSNSWVQOPHY-UXHICEINSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472356 853223616 /nfs/dbraw/zinc/22/36/16/853223616.db2.gz TVTFSNSWVQOPHY-UXHICEINSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490965914 853375766 /nfs/dbraw/zinc/37/57/66/853375766.db2.gz OAFWYGIRBFGDFW-REWPJTCUSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490965914 853375770 /nfs/dbraw/zinc/37/57/70/853375770.db2.gz OAFWYGIRBFGDFW-REWPJTCUSA-N 2 1 379.548 3.937 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055855 853430101 /nfs/dbraw/zinc/43/01/01/853430101.db2.gz BEGWBRXXEJGQGI-QUCCMNQESA-N 2 1 380.960 3.668 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055855 853430108 /nfs/dbraw/zinc/43/01/08/853430108.db2.gz BEGWBRXXEJGQGI-QUCCMNQESA-N 2 1 380.960 3.668 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](NC4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964216 853454870 /nfs/dbraw/zinc/45/48/70/853454870.db2.gz NWIZCWPQVVXWMY-FAQFYYNLSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964216 853454879 /nfs/dbraw/zinc/45/48/79/853454879.db2.gz NWIZCWPQVVXWMY-FAQFYYNLSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964216 853454888 /nfs/dbraw/zinc/45/48/88/853454888.db2.gz NWIZCWPQVVXWMY-FAQFYYNLSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964216 853454897 /nfs/dbraw/zinc/45/48/97/853454897.db2.gz NWIZCWPQVVXWMY-FAQFYYNLSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964216 853454904 /nfs/dbraw/zinc/45/49/04/853454904.db2.gz NWIZCWPQVVXWMY-FAQFYYNLSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964216 853454912 /nfs/dbraw/zinc/45/49/12/853454912.db2.gz NWIZCWPQVVXWMY-FAQFYYNLSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964216 853454922 /nfs/dbraw/zinc/45/49/22/853454922.db2.gz NWIZCWPQVVXWMY-FAQFYYNLSA-N 3 1 379.592 3.892 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754593 853463391 /nfs/dbraw/zinc/46/33/91/853463391.db2.gz WRXNIFSDMAASRD-MSOLQXFVSA-N 2 1 385.577 3.952 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)CC1 ZINC000439328104 853557971 /nfs/dbraw/zinc/55/79/71/853557971.db2.gz WTHRYZGDFLMWDA-UHFFFAOYSA-N 2 1 395.950 3.590 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167964493 853629299 /nfs/dbraw/zinc/62/92/99/853629299.db2.gz RHJFYIXWFLIOIO-VVQVYFJTSA-N 2 1 389.584 3.817 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000517373117 853722254 /nfs/dbraw/zinc/72/22/54/853722254.db2.gz DGLYHTPWHSBHBO-SJORKVTESA-N 2 1 376.438 3.576 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC[C@H]21 ZINC001167988987 853805363 /nfs/dbraw/zinc/80/53/63/853805363.db2.gz WGFWRRUHTQXJHZ-FYKRDEHLSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@H]21 ZINC001167988987 853805367 /nfs/dbraw/zinc/80/53/67/853805367.db2.gz WGFWRRUHTQXJHZ-FYKRDEHLSA-N 2 1 389.584 3.723 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c(-c2ccccc2)nc2ccccn21 ZINC000441262391 854045700 /nfs/dbraw/zinc/04/57/00/854045700.db2.gz IHSLOCOEMGOGSO-RZUBCFFCSA-N 2 1 390.531 3.685 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000571882063 854173075 /nfs/dbraw/zinc/17/30/75/854173075.db2.gz MZRFQXJQTRGADX-RTBURBONSA-N 2 1 392.469 3.772 20 0 GHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000588710247 854368454 /nfs/dbraw/zinc/36/84/54/854368454.db2.gz IQBAOBJAQYYQAG-KDURUIRLSA-N 2 1 383.536 3.971 20 0 GHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000588710247 854368460 /nfs/dbraw/zinc/36/84/60/854368460.db2.gz IQBAOBJAQYYQAG-KDURUIRLSA-N 2 1 383.536 3.971 20 0 GHADMP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588709198 854368820 /nfs/dbraw/zinc/36/88/20/854368820.db2.gz JQOZJFKZMGKCRI-KZNAEPCWSA-N 2 1 384.524 3.619 20 0 GHADMP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711277 854369737 /nfs/dbraw/zinc/36/97/37/854369737.db2.gz XYXKGQMLJQHYGD-FGTMMUONSA-N 2 1 384.524 3.619 20 0 GHADMP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588711277 854369747 /nfs/dbraw/zinc/36/97/47/854369747.db2.gz XYXKGQMLJQHYGD-FGTMMUONSA-N 2 1 384.524 3.619 20 0 GHADMP CN1C(=O)C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC001167993762 854391668 /nfs/dbraw/zinc/39/16/68/854391668.db2.gz RNJYOELQIKNORL-KORDQABASA-N 2 1 393.575 3.687 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(c2c(C(=O)OCC)cnc3ccc(OC)cc32)C1 ZINC000482001409 862596522 /nfs/dbraw/zinc/59/65/22/862596522.db2.gz WNMDNJLFVPVBQR-MRXNPFEDSA-N 2 1 385.508 3.588 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000073306639 854734766 /nfs/dbraw/zinc/73/47/66/854734766.db2.gz LYNTZUFMSUPXAU-UHFFFAOYSA-N 2 1 382.552 3.767 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000073306639 854734772 /nfs/dbraw/zinc/73/47/72/854734772.db2.gz LYNTZUFMSUPXAU-UHFFFAOYSA-N 2 1 382.552 3.767 20 0 GHADMP O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441462499 855016405 /nfs/dbraw/zinc/01/64/05/855016405.db2.gz IQUWYBBBPAAISO-LEWJYISDSA-N 2 1 391.559 3.963 20 0 GHADMP C[NH2+]CC1CC[NH+]([C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)CC1 ZINC000572880650 855031134 /nfs/dbraw/zinc/03/11/34/855031134.db2.gz HAOVAESDBINFPM-QFIPXVFZSA-N 2 1 381.520 3.615 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)o1 ZINC000624689482 855037140 /nfs/dbraw/zinc/03/71/40/855037140.db2.gz QZPNHHOSBAOAOO-UHFFFAOYSA-N 2 1 387.549 3.923 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1OC ZINC000520467218 855099360 /nfs/dbraw/zinc/09/93/60/855099360.db2.gz HJIOVTOLDPUDRW-FGZHOGPDSA-N 2 1 380.532 3.966 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)c1OC ZINC000520467218 855099366 /nfs/dbraw/zinc/09/93/66/855099366.db2.gz HJIOVTOLDPUDRW-FGZHOGPDSA-N 2 1 380.532 3.966 20 0 GHADMP CN1c2ccc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2CCC1=O ZINC000186967301 862642786 /nfs/dbraw/zinc/64/27/86/862642786.db2.gz NBGQYXVMTZIDHX-OAQYLSRUSA-N 2 1 377.532 3.550 20 0 GHADMP CN1c2ccc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2CCC1=O ZINC000186967301 862642790 /nfs/dbraw/zinc/64/27/90/862642790.db2.gz NBGQYXVMTZIDHX-OAQYLSRUSA-N 2 1 377.532 3.550 20 0 GHADMP CN1c2ccc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000186967301 862642797 /nfs/dbraw/zinc/64/27/97/862642797.db2.gz NBGQYXVMTZIDHX-OAQYLSRUSA-N 2 1 377.532 3.550 20 0 GHADMP CN1c2ccc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000186967301 862642802 /nfs/dbraw/zinc/64/28/02/862642802.db2.gz NBGQYXVMTZIDHX-OAQYLSRUSA-N 2 1 377.532 3.550 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([N@@H+](C3CCOCC3)[C@H]3CC[C@H]([NH3+])CC3)CCO2)cc1 ZINC001168626045 855170998 /nfs/dbraw/zinc/17/09/98/855170998.db2.gz WKEYNQFQLLYLFD-ZNTQHIFFSA-N 2 1 388.552 3.666 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(-n2cnnn2)c1 ZINC000155764731 855235842 /nfs/dbraw/zinc/23/58/42/855235842.db2.gz ZWWMPMUKGWMEDK-OALUTQOASA-N 2 1 390.535 3.745 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000172555307 855415493 /nfs/dbraw/zinc/41/54/93/855415493.db2.gz PSFAWNYBNTWAEP-AUSIDOKSSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000510697822 855529534 /nfs/dbraw/zinc/52/95/34/855529534.db2.gz WAIBYFYHLJNTBP-MRXNPFEDSA-N 2 1 399.501 3.559 20 0 GHADMP CC(C)[NH+](C)CC1CC[NH+](C/C=C/C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000590786182 855584353 /nfs/dbraw/zinc/58/43/53/855584353.db2.gz FWLOKWKEFCCGNO-BQYQJAHWSA-N 4 1 392.676 3.647 20 0 GHADMP CCC[NH+](CCC)CCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002461 855601320 /nfs/dbraw/zinc/60/13/20/855601320.db2.gz SVYVJXMYXFDJBQ-VSGJHWFKSA-N 2 1 390.660 3.522 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608164752 855703782 /nfs/dbraw/zinc/70/37/82/855703782.db2.gz FMBJZQUUMGZJNR-SFTDATJTSA-N 2 1 385.939 3.676 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608164752 855703789 /nfs/dbraw/zinc/70/37/89/855703789.db2.gz FMBJZQUUMGZJNR-SFTDATJTSA-N 2 1 385.939 3.676 20 0 GHADMP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000542786039 855793695 /nfs/dbraw/zinc/79/36/95/855793695.db2.gz XRXADRIUTPGTLE-DENIHFKCSA-N 2 1 380.536 3.592 20 0 GHADMP CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000591191431 855822560 /nfs/dbraw/zinc/82/25/60/855822560.db2.gz GQFDPNVRGOEPSX-HSZRJFAPSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000152377716 855831577 /nfs/dbraw/zinc/83/15/77/855831577.db2.gz YRNLQJAPWZXOGC-KZNAEPCWSA-N 2 1 391.987 3.901 20 0 GHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573121459 855851835 /nfs/dbraw/zinc/85/18/35/855851835.db2.gz DDOYWBFUMRDRKE-RXVVDRJESA-N 2 1 393.531 3.687 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000573094366 855862035 /nfs/dbraw/zinc/86/20/35/855862035.db2.gz VOWSIBUCCAFSAS-XZOQPEGZSA-N 2 1 389.628 3.858 20 0 GHADMP Brc1cnn(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001168005496 855922061 /nfs/dbraw/zinc/92/20/61/855922061.db2.gz JCJXDLPKGVEUIW-DFNIBXOVSA-N 2 1 393.373 3.688 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760828884 855989522 /nfs/dbraw/zinc/98/95/22/855989522.db2.gz ZSKVWUFHDBDMSG-VQTJNVASSA-N 2 1 394.991 3.897 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000760828884 855989528 /nfs/dbraw/zinc/98/95/28/855989528.db2.gz ZSKVWUFHDBDMSG-VQTJNVASSA-N 2 1 394.991 3.897 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000573317656 856073976 /nfs/dbraw/zinc/07/39/76/856073976.db2.gz QKHYPEVMABCMGE-PZJWPPBQSA-N 2 1 380.536 3.609 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306720 856085296 /nfs/dbraw/zinc/08/52/96/856085296.db2.gz PTFCZFJZXVXMAV-KDURUIRLSA-N 2 1 387.568 3.570 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306720 856085306 /nfs/dbraw/zinc/08/53/06/856085306.db2.gz PTFCZFJZXVXMAV-KDURUIRLSA-N 2 1 387.568 3.570 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(I)cc1 ZINC000429226361 856142924 /nfs/dbraw/zinc/14/29/24/856142924.db2.gz KIJRMYYJHJCJAF-UHFFFAOYSA-N 2 1 397.304 3.962 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(I)cc1 ZINC000429226361 856142930 /nfs/dbraw/zinc/14/29/30/856142930.db2.gz KIJRMYYJHJCJAF-UHFFFAOYSA-N 2 1 397.304 3.962 20 0 GHADMP C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000729525009 856233761 /nfs/dbraw/zinc/23/37/61/856233761.db2.gz COMUKSZKYUVEDB-UXHICEINSA-N 2 1 387.568 3.544 20 0 GHADMP c1cc(C[N@H+]2CCOC3(CCCC3)C2)ccc1C[NH+]1CCOC2(CCCC2)C1 ZINC000485247265 856262234 /nfs/dbraw/zinc/26/22/34/856262234.db2.gz RZUHQDDVMNJCKJ-UHFFFAOYSA-N 2 1 384.564 3.977 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000507811151 856269068 /nfs/dbraw/zinc/26/90/68/856269068.db2.gz JBAZOTRLPCZOLO-CYFREDJKSA-N 2 1 381.539 3.951 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000507811151 856269083 /nfs/dbraw/zinc/26/90/83/856269083.db2.gz JBAZOTRLPCZOLO-CYFREDJKSA-N 2 1 381.539 3.951 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237408 856269131 /nfs/dbraw/zinc/26/91/31/856269131.db2.gz ZHGBKVNZUZGIQI-UGTOYMOASA-N 2 1 391.559 3.853 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237408 856269143 /nfs/dbraw/zinc/26/91/43/856269143.db2.gz ZHGBKVNZUZGIQI-UGTOYMOASA-N 2 1 391.559 3.853 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000658068070 856371151 /nfs/dbraw/zinc/37/11/51/856371151.db2.gz BOUUVTWQFDAOMZ-DYXWJJEUSA-N 2 1 394.003 3.893 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000658076049 856407940 /nfs/dbraw/zinc/40/79/40/856407940.db2.gz DSLLKXJWTMLESV-ISJGIBHGSA-N 2 1 391.559 3.856 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000674591940 856476114 /nfs/dbraw/zinc/47/61/14/856476114.db2.gz CXHPLANVAKOYCM-NRFANRHFSA-N 2 1 383.580 3.764 20 0 GHADMP CCOc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000485436270 856525515 /nfs/dbraw/zinc/52/55/15/856525515.db2.gz KQMSBWWNLXYRSA-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000485436270 856525535 /nfs/dbraw/zinc/52/55/35/856525535.db2.gz KQMSBWWNLXYRSA-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000485436270 856525598 /nfs/dbraw/zinc/52/55/98/856525598.db2.gz KQMSBWWNLXYRSA-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000507888636 856629998 /nfs/dbraw/zinc/62/99/98/856629998.db2.gz CNJIEXJPGNONIJ-GTKRQRKWSA-N 2 1 385.596 3.727 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485485258 856661491 /nfs/dbraw/zinc/66/14/91/856661491.db2.gz ARTQWQRYIMSRJZ-QFIPXVFZSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)cc2)C1 ZINC000658138018 856783374 /nfs/dbraw/zinc/78/33/74/856783374.db2.gz LTMLJOPZDRWPRL-UPVQGACJSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)cc2)C1 ZINC000658138018 856783378 /nfs/dbraw/zinc/78/33/78/856783378.db2.gz LTMLJOPZDRWPRL-UPVQGACJSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)cc2)C1 ZINC000658139755 856788012 /nfs/dbraw/zinc/78/80/12/856788012.db2.gz RYFZPUCXEUUGOI-WMZHIEFXSA-N 2 1 375.516 3.902 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)cc1 ZINC000592394086 856804292 /nfs/dbraw/zinc/80/42/92/856804292.db2.gz MDIUMMRLSPCQHR-QGZVFWFLSA-N 2 1 399.535 3.970 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2)CC1 ZINC000485612517 856831640 /nfs/dbraw/zinc/83/16/40/856831640.db2.gz HSOKHMINWIXKEE-XPWALMASSA-N 2 1 398.595 3.585 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)sc1Cl ZINC000499504993 857028440 /nfs/dbraw/zinc/02/84/40/857028440.db2.gz AJSMXVWAHKCUOC-GFCCVEGCSA-N 2 1 378.369 3.543 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185578 862873599 /nfs/dbraw/zinc/87/35/99/862873599.db2.gz FVWDWIQLSRLMQC-QXAKKESOSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185578 862873621 /nfs/dbraw/zinc/87/36/21/862873621.db2.gz FVWDWIQLSRLMQC-QXAKKESOSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185578 862873641 /nfs/dbraw/zinc/87/36/41/862873641.db2.gz FVWDWIQLSRLMQC-QXAKKESOSA-N 2 1 397.485 3.689 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000076581391 857151203 /nfs/dbraw/zinc/15/12/03/857151203.db2.gz FIZLHIPIQVQYJW-QHCPKHFHSA-N 2 1 377.532 3.518 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057138370 857151958 /nfs/dbraw/zinc/15/19/58/857151958.db2.gz YEDNPISUVLSSBE-HSZRJFAPSA-N 2 1 377.532 3.563 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000282524973 857474446 /nfs/dbraw/zinc/47/44/46/857474446.db2.gz ANRZERFLSKNHHF-JOCHJYFZSA-N 2 1 389.547 3.538 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000282524973 857474453 /nfs/dbraw/zinc/47/44/53/857474453.db2.gz ANRZERFLSKNHHF-JOCHJYFZSA-N 2 1 389.547 3.538 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000521013171 857499854 /nfs/dbraw/zinc/49/98/54/857499854.db2.gz RIWXERUGAFXRNT-FQEVSTJZSA-N 2 1 399.501 3.900 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000061784100 857540932 /nfs/dbraw/zinc/54/09/32/857540932.db2.gz XQQDWKJRJKXDRV-UHFFFAOYSA-N 2 1 375.532 3.561 20 0 GHADMP O[C@H](C[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)C[NH+]1CCCC1 ZINC000065274791 857784745 /nfs/dbraw/zinc/78/47/45/857784745.db2.gz XJPSXRUFISVBNE-QGZVFWFLSA-N 2 1 392.902 3.604 20 0 GHADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665282878 857815626 /nfs/dbraw/zinc/81/56/26/857815626.db2.gz DHDGRNWDRGACPY-OXQOHEQNSA-N 2 1 378.394 3.773 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccncc4)s3)c2)CCO1 ZINC000521291112 857830443 /nfs/dbraw/zinc/83/04/43/857830443.db2.gz MNPCPTAOHHUPRY-QGZVFWFLSA-N 2 1 394.544 3.716 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccncc4)s3)c2)CCO1 ZINC000521291112 857830456 /nfs/dbraw/zinc/83/04/56/857830456.db2.gz MNPCPTAOHHUPRY-QGZVFWFLSA-N 2 1 394.544 3.716 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1)c1cccc2ccccc21 ZINC000676477922 857898722 /nfs/dbraw/zinc/89/87/22/857898722.db2.gz PJNOZIMLJKCDGK-BJLQDIEVSA-N 2 1 376.504 3.939 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CCC[C@H](n2ccnc2)C1)c1cccc2ccccc21 ZINC000676477922 857898731 /nfs/dbraw/zinc/89/87/31/857898731.db2.gz PJNOZIMLJKCDGK-BJLQDIEVSA-N 2 1 376.504 3.939 20 0 GHADMP C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC(C)C1 ZINC000574582918 858070298 /nfs/dbraw/zinc/07/02/98/858070298.db2.gz BIGCJFBQALZFSF-ZBUUHCTJSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CC(C)C1 ZINC000574582918 858070306 /nfs/dbraw/zinc/07/03/06/858070306.db2.gz BIGCJFBQALZFSF-ZBUUHCTJSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CC(C)C1 ZINC000574582918 858070312 /nfs/dbraw/zinc/07/03/12/858070312.db2.gz BIGCJFBQALZFSF-ZBUUHCTJSA-N 2 1 389.971 3.710 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000574582325 858071075 /nfs/dbraw/zinc/07/10/75/858071075.db2.gz WSKWCLGHVYXKMX-REWPJTCUSA-N 2 1 395.478 3.533 20 0 GHADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000482361108 862985727 /nfs/dbraw/zinc/98/57/27/862985727.db2.gz FSEBFCPHIPAFSP-IBGZPJMESA-N 2 1 382.390 3.763 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1)C1CC1 ZINC000574690825 858163847 /nfs/dbraw/zinc/16/38/47/858163847.db2.gz LEXXNLWBTVTGDX-PKTZIBPZSA-N 2 1 395.522 3.767 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000765973725 858169332 /nfs/dbraw/zinc/16/93/32/858169332.db2.gz DODMPQSCHJNLNC-YOEHRIQHSA-N 2 1 384.467 3.591 20 0 GHADMP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000681392624 858184306 /nfs/dbraw/zinc/18/43/06/858184306.db2.gz OKZVXYJJXVEJTD-CBQOVEMMSA-N 2 1 377.536 3.927 20 0 GHADMP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000681392624 858184311 /nfs/dbraw/zinc/18/43/11/858184311.db2.gz OKZVXYJJXVEJTD-CBQOVEMMSA-N 2 1 377.536 3.927 20 0 GHADMP C[N@@H+]1CCN(CC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1(C)C ZINC000442866868 858185532 /nfs/dbraw/zinc/18/55/32/858185532.db2.gz JLCDHWGPAKYFDX-QFIPXVFZSA-N 2 1 378.520 3.533 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1(C)C ZINC000442866868 858185534 /nfs/dbraw/zinc/18/55/34/858185534.db2.gz JLCDHWGPAKYFDX-QFIPXVFZSA-N 2 1 378.520 3.533 20 0 GHADMP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCCC2 ZINC000181740654 862993961 /nfs/dbraw/zinc/99/39/61/862993961.db2.gz KRZXUOYCTMKZFD-PMACEKPBSA-N 2 1 375.557 3.831 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC000442879479 858201346 /nfs/dbraw/zinc/20/13/46/858201346.db2.gz WJCHYAWRYPCXTL-HXUWFJFHSA-N 2 1 381.564 3.942 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccccc2)C2(C[NH3+])COC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014931 858282580 /nfs/dbraw/zinc/28/25/80/858282580.db2.gz NRWOWHAYHVWUGL-RUMRUAAYSA-N 2 1 393.575 3.658 20 0 GHADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000594927271 858307035 /nfs/dbraw/zinc/30/70/35/858307035.db2.gz UZSLJHNQGOQIDT-PKEBMLEUSA-N 2 1 398.469 3.876 20 0 GHADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000594927271 858307040 /nfs/dbraw/zinc/30/70/40/858307040.db2.gz UZSLJHNQGOQIDT-PKEBMLEUSA-N 2 1 398.469 3.876 20 0 GHADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@@H]1c1ccccc1 ZINC000543097385 858341370 /nfs/dbraw/zinc/34/13/70/858341370.db2.gz YZGAYCNFUBNZJV-ZQAWKMMESA-N 2 1 391.559 3.666 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000443077996 858352703 /nfs/dbraw/zinc/35/27/03/858352703.db2.gz VTIJXLREAOFMEH-JTSKRJEESA-N 2 1 385.939 3.606 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]1C ZINC000594999271 858361655 /nfs/dbraw/zinc/36/16/55/858361655.db2.gz BUTCAGFBDRAJQE-QESAQDPVSA-N 2 1 384.564 3.856 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000521958545 858486093 /nfs/dbraw/zinc/48/60/93/858486093.db2.gz MXLGKYAYKVPCLD-MOPGFXCFSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC(F)(F)CC1 ZINC000474074556 858781348 /nfs/dbraw/zinc/78/13/48/858781348.db2.gz RGAQUGDYGQWEQN-JXFKEZNVSA-N 2 1 393.522 3.688 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183731971 858807205 /nfs/dbraw/zinc/80/72/05/858807205.db2.gz FGXOGVXVJWXNQI-LBPRGKRZSA-N 2 1 379.295 3.505 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547760 881362587 /nfs/dbraw/zinc/36/25/87/881362587.db2.gz DBCRVOZKHMDDEZ-DPZZJQGRSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547760 881362605 /nfs/dbraw/zinc/36/26/05/881362605.db2.gz DBCRVOZKHMDDEZ-DPZZJQGRSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547760 881362623 /nfs/dbraw/zinc/36/26/23/881362623.db2.gz DBCRVOZKHMDDEZ-DPZZJQGRSA-N 2 1 387.474 3.978 20 0 GHADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC000184332739 858915205 /nfs/dbraw/zinc/91/52/05/858915205.db2.gz MVEXROIYUADFMO-SFHVURJKSA-N 2 1 398.551 3.603 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCc1ccccc1Cl ZINC000185705564 859118852 /nfs/dbraw/zinc/11/88/52/859118852.db2.gz CGJXFVUEPQZLOS-XYJFISCASA-N 2 1 377.960 3.587 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCc1ccccc1Cl ZINC000185705564 859118855 /nfs/dbraw/zinc/11/88/55/859118855.db2.gz CGJXFVUEPQZLOS-XYJFISCASA-N 2 1 377.960 3.587 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768346 859126541 /nfs/dbraw/zinc/12/65/41/859126541.db2.gz ZZAGMIKGRYBFEF-KVSKMBFKSA-N 2 1 384.486 3.851 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccc4ccccc43)CC2)CC1 ZINC000654456345 859220690 /nfs/dbraw/zinc/22/06/90/859220690.db2.gz YQTJFKPLDFFBBH-UHFFFAOYSA-N 2 1 379.548 3.652 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)CC1 ZINC000597027443 859244127 /nfs/dbraw/zinc/24/41/27/859244127.db2.gz VKERYLZPXPDFKI-NRFANRHFSA-N 2 1 398.526 3.613 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)nc3)C2)CC1 ZINC000597027443 859244141 /nfs/dbraw/zinc/24/41/41/859244141.db2.gz VKERYLZPXPDFKI-NRFANRHFSA-N 2 1 398.526 3.613 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483275434 859262946 /nfs/dbraw/zinc/26/29/46/859262946.db2.gz ZCUGJPGMHSLWOG-INIZCTEOSA-N 2 1 375.822 3.967 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000922259141 859272856 /nfs/dbraw/zinc/27/28/56/859272856.db2.gz BDHGXAGRHHZFPF-QHCPKHFHSA-N 2 1 391.559 3.780 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000466734955 859389201 /nfs/dbraw/zinc/38/92/01/859389201.db2.gz MHEAHOYKAAZGIW-LJQANCHMSA-N 2 1 389.584 3.960 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000626062604 859436536 /nfs/dbraw/zinc/43/65/36/859436536.db2.gz YVNVMBXFAUAQLQ-OAHLLOKOSA-N 2 1 375.463 3.876 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000626062604 859436543 /nfs/dbraw/zinc/43/65/43/859436543.db2.gz YVNVMBXFAUAQLQ-OAHLLOKOSA-N 2 1 375.463 3.876 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543379249 859472078 /nfs/dbraw/zinc/47/20/78/859472078.db2.gz HKZNKMFOSOMODM-RTWAWAEBSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccc2nc(C[NH+]3CC[C@@H](Oc4ccnc(C[N@@H+](C)C(C)C)c4)C3)cn2c1 ZINC000856558731 881432004 /nfs/dbraw/zinc/43/20/04/881432004.db2.gz LIAQBRVOBPSVNQ-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2nc(C[NH+]3CC[C@@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)cn2c1 ZINC000856558731 881432016 /nfs/dbraw/zinc/43/20/16/881432016.db2.gz LIAQBRVOBPSVNQ-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2nc(C[N@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cn2c1 ZINC000856558731 881432025 /nfs/dbraw/zinc/43/20/25/881432025.db2.gz LIAQBRVOBPSVNQ-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2nc(C[N@@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cn2c1 ZINC000856558731 881432036 /nfs/dbraw/zinc/43/20/36/881432036.db2.gz LIAQBRVOBPSVNQ-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@H]1C ZINC000483761011 859595838 /nfs/dbraw/zinc/59/58/38/859595838.db2.gz PZWCNGXZQUHNNT-HJNYFJLDSA-N 2 1 386.584 3.646 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCCC2=O)cc1 ZINC000764764857 859601275 /nfs/dbraw/zinc/60/12/75/859601275.db2.gz WVPDQEGDMFQNRN-LJQANCHMSA-N 2 1 377.532 3.912 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCCC2=O)cc1 ZINC000764764857 859601284 /nfs/dbraw/zinc/60/12/84/859601284.db2.gz WVPDQEGDMFQNRN-LJQANCHMSA-N 2 1 377.532 3.912 20 0 GHADMP CCC[N@H+](Cc1cccc(C(=O)OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477332 859626293 /nfs/dbraw/zinc/62/62/93/859626293.db2.gz SRHJCUKTKHJJMX-UHFFFAOYSA-N 2 1 396.535 3.761 20 0 GHADMP CCC[N@@H+](Cc1cccc(C(=O)OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477332 859626296 /nfs/dbraw/zinc/62/62/96/859626296.db2.gz SRHJCUKTKHJJMX-UHFFFAOYSA-N 2 1 396.535 3.761 20 0 GHADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000483955924 859710905 /nfs/dbraw/zinc/71/09/05/859710905.db2.gz FIIHTDLQISZSTN-OYRHEFFESA-N 2 1 396.579 3.892 20 0 GHADMP CC[N@H+](Cc1ccc2c(c1)sc(=O)n2C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474278892 859753533 /nfs/dbraw/zinc/75/35/33/859753533.db2.gz XVSXVEWUELQTLI-HXUWFJFHSA-N 2 1 395.572 3.944 20 0 GHADMP CC[NH+](Cc1ccc2c(c1)sc(=O)n2C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474278892 859753536 /nfs/dbraw/zinc/75/35/36/859753536.db2.gz XVSXVEWUELQTLI-HXUWFJFHSA-N 2 1 395.572 3.944 20 0 GHADMP CC[NH+](Cc1ccc2c(c1)sc(=O)n2C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474278892 859753542 /nfs/dbraw/zinc/75/35/42/859753542.db2.gz XVSXVEWUELQTLI-HXUWFJFHSA-N 2 1 395.572 3.944 20 0 GHADMP COCc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561915 881468541 /nfs/dbraw/zinc/46/85/41/881468541.db2.gz XIUJTLTVSOBFFK-QHCPKHFHSA-N 2 1 383.536 3.722 20 0 GHADMP COCc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856561915 881468544 /nfs/dbraw/zinc/46/85/44/881468544.db2.gz XIUJTLTVSOBFFK-QHCPKHFHSA-N 2 1 383.536 3.722 20 0 GHADMP COCc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856561915 881468546 /nfs/dbraw/zinc/46/85/46/881468546.db2.gz XIUJTLTVSOBFFK-QHCPKHFHSA-N 2 1 383.536 3.722 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466525424 859850644 /nfs/dbraw/zinc/85/06/44/859850644.db2.gz HZDWBDWWPBKHBC-KNQAVFIVSA-N 2 1 398.595 3.746 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3nc(Cl)ccc3s1)C2 ZINC000922391175 859887899 /nfs/dbraw/zinc/88/78/99/859887899.db2.gz UIMAZIGZSXIIQL-OHDICMOHSA-N 2 1 379.957 3.519 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3ccnn3)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033163 859911811 /nfs/dbraw/zinc/91/18/11/859911811.db2.gz KCFFMDSULXHRGI-HATOLVCRSA-N 2 1 375.520 3.799 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000484287666 859924812 /nfs/dbraw/zinc/92/48/12/859924812.db2.gz CEAIRDSQPHEXBL-IEZWGBDMSA-N 2 1 384.561 3.780 20 0 GHADMP Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000568512086 859995443 /nfs/dbraw/zinc/99/54/43/859995443.db2.gz CNVYLXQKLHOLPC-CQSZACIVSA-N 2 1 392.956 3.771 20 0 GHADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000568512086 859995446 /nfs/dbraw/zinc/99/54/46/859995446.db2.gz CNVYLXQKLHOLPC-CQSZACIVSA-N 2 1 392.956 3.771 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465593512 860075861 /nfs/dbraw/zinc/07/58/61/860075861.db2.gz FRMRHDLNGCARPW-HSZRJFAPSA-N 2 1 398.595 3.736 20 0 GHADMP O=C1[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428203 860086945 /nfs/dbraw/zinc/08/69/45/860086945.db2.gz QKDWPEBHYXBGBZ-ZMSDIMECSA-N 2 1 382.335 3.705 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000474480817 860169516 /nfs/dbraw/zinc/16/95/16/860169516.db2.gz VUQQALXYGNAMOP-MOPGFXCFSA-N 2 1 398.547 3.818 20 0 GHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000474480818 860169946 /nfs/dbraw/zinc/16/99/46/860169946.db2.gz VUQQALXYGNAMOP-OALUTQOASA-N 2 1 398.547 3.818 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535277027 860256773 /nfs/dbraw/zinc/25/67/73/860256773.db2.gz MUOUUEZZKQWPSX-QFIPXVFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535277027 860256781 /nfs/dbraw/zinc/25/67/81/860256781.db2.gz MUOUUEZZKQWPSX-QFIPXVFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536175904 860270636 /nfs/dbraw/zinc/27/06/36/860270636.db2.gz XTFADIYWHSSLKK-PKOBYXMFSA-N 2 1 381.358 3.509 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000522448107 860311523 /nfs/dbraw/zinc/31/15/23/860311523.db2.gz OKGJAXFSHIYFEC-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2OC(F)F)C[C@H](C)O1 ZINC000602911557 860344074 /nfs/dbraw/zinc/34/40/74/860344074.db2.gz WJILJMYESFMHFC-OKILXGFUSA-N 2 1 376.875 3.920 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904506088 860481293 /nfs/dbraw/zinc/48/12/93/860481293.db2.gz KAWQMKCEYSICBU-BHIFYINESA-N 2 1 392.547 3.828 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(Cc2cccnc2)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000765749426 860565852 /nfs/dbraw/zinc/56/58/52/860565852.db2.gz MWLFQBUGVLXVHZ-UYAOXDASSA-N 2 1 390.572 3.529 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)Cc3ccc(C)cc3C)CC2)CC1 ZINC000654761761 860568873 /nfs/dbraw/zinc/56/88/73/860568873.db2.gz JFQNLGRFMOAJBU-FQEVSTJZSA-N 2 1 385.596 3.547 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585496 881558335 /nfs/dbraw/zinc/55/83/35/881558335.db2.gz HOERQKQRHGHGNY-GOTSBHOMSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585496 881558339 /nfs/dbraw/zinc/55/83/39/881558339.db2.gz HOERQKQRHGHGNY-GOTSBHOMSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585496 881558345 /nfs/dbraw/zinc/55/83/45/881558345.db2.gz HOERQKQRHGHGNY-GOTSBHOMSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000120459576 881562257 /nfs/dbraw/zinc/56/22/57/881562257.db2.gz ABHZYOCFLULZOP-QUCCMNQESA-N 2 1 390.572 3.601 20 0 GHADMP Cc1ccc(OCC[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856600170 881574601 /nfs/dbraw/zinc/57/46/01/881574601.db2.gz WYPADJSDFOBTRG-QHCPKHFHSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccc(OCC[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856600170 881574614 /nfs/dbraw/zinc/57/46/14/881574614.db2.gz WYPADJSDFOBTRG-QHCPKHFHSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccc(OCC[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856600170 881574629 /nfs/dbraw/zinc/57/46/29/881574629.db2.gz WYPADJSDFOBTRG-QHCPKHFHSA-N 2 1 383.536 3.762 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCOc3ccccc3)C2)ccn1 ZINC000856600058 881575429 /nfs/dbraw/zinc/57/54/29/881575429.db2.gz VVDCFORBRRGERN-QHCPKHFHSA-N 2 1 383.536 3.844 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCOc3ccccc3)C2)ccn1 ZINC000856600058 881575441 /nfs/dbraw/zinc/57/54/41/881575441.db2.gz VVDCFORBRRGERN-QHCPKHFHSA-N 2 1 383.536 3.844 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCOc3ccccc3)C2)ccn1 ZINC000856600058 881575444 /nfs/dbraw/zinc/57/54/44/881575444.db2.gz VVDCFORBRRGERN-QHCPKHFHSA-N 2 1 383.536 3.844 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489791044 860753335 /nfs/dbraw/zinc/75/33/35/860753335.db2.gz YOKNTWLNDVJKNN-BVYCBKJFSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603881 881578608 /nfs/dbraw/zinc/57/86/08/881578608.db2.gz GAIVJOVKRAARRH-FCHUYYIVSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603881 881578617 /nfs/dbraw/zinc/57/86/17/881578617.db2.gz GAIVJOVKRAARRH-FCHUYYIVSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603881 881578619 /nfs/dbraw/zinc/57/86/19/881578619.db2.gz GAIVJOVKRAARRH-FCHUYYIVSA-N 2 1 387.568 3.867 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)c(OC)c2)CC1 ZINC000623360135 860920100 /nfs/dbraw/zinc/92/01/00/860920100.db2.gz XIIYLFIMGZAFPF-UHFFFAOYSA-N 2 1 387.955 3.776 20 0 GHADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2)C[C@H](C)O1 ZINC000156670815 860926128 /nfs/dbraw/zinc/92/61/28/860926128.db2.gz DJHBCSYANGAYGW-ROUUACIJSA-N 2 1 381.520 3.610 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1OC1CC1 ZINC000623376090 860948268 /nfs/dbraw/zinc/94/82/68/860948268.db2.gz FPAQDYFFUHCXNI-GOSISDBHSA-N 2 1 396.531 3.747 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1OC1CC1 ZINC000623376090 860948281 /nfs/dbraw/zinc/94/82/81/860948281.db2.gz FPAQDYFFUHCXNI-GOSISDBHSA-N 2 1 396.531 3.747 20 0 GHADMP c1[nH]nc2cccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)c12 ZINC000623532962 861145867 /nfs/dbraw/zinc/14/58/67/861145867.db2.gz NRQUZAGKZNCEMA-OAQYLSRUSA-N 2 1 390.531 3.581 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)cc1 ZINC000281502310 863069002 /nfs/dbraw/zinc/06/90/02/863069002.db2.gz GUMXLCBQERHWFR-UHFFFAOYSA-N 2 1 388.556 3.548 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182245036 863161773 /nfs/dbraw/zinc/16/17/73/863161773.db2.gz JWXGGHMFHWFJFD-IRLDBZIGSA-N 2 1 384.495 3.786 20 0 GHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@@H]1C ZINC000444040697 863200076 /nfs/dbraw/zinc/20/00/76/863200076.db2.gz ZDZLJJGVNDKTEM-PKOBYXMFSA-N 2 1 390.597 3.572 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@@H]1C ZINC000444040697 863200081 /nfs/dbraw/zinc/20/00/81/863200081.db2.gz ZDZLJJGVNDKTEM-PKOBYXMFSA-N 2 1 390.597 3.572 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182449555 863231736 /nfs/dbraw/zinc/23/17/36/863231736.db2.gz PNYWRXPDLJOCDW-UIFIKXQLSA-N 2 1 378.582 3.506 20 0 GHADMP CCC1([NH+]2CCOCC2)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000626089462 863290773 /nfs/dbraw/zinc/29/07/73/863290773.db2.gz RPPYWKLNXZSDPZ-UHFFFAOYSA-N 2 1 385.596 3.749 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2F)cc1 ZINC000183151361 863489042 /nfs/dbraw/zinc/48/90/42/863489042.db2.gz SRQPAUKPQPVJGL-CVEARBPZSA-N 2 1 380.467 3.675 20 0 GHADMP COc1ccccc1[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156516 863490582 /nfs/dbraw/zinc/49/05/82/863490582.db2.gz MTZLNGICSYBDIX-IAGOWNOFSA-N 2 1 392.503 3.717 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000062529075 863538004 /nfs/dbraw/zinc/53/80/04/863538004.db2.gz MFXXSSZSADQUTD-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000606635722 863727808 /nfs/dbraw/zinc/72/78/08/863727808.db2.gz UTJASUCOUJQVTI-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000606635722 863727813 /nfs/dbraw/zinc/72/78/13/863727813.db2.gz UTJASUCOUJQVTI-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000606635722 863727820 /nfs/dbraw/zinc/72/78/20/863727820.db2.gz UTJASUCOUJQVTI-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1 ZINC000667607983 863898156 /nfs/dbraw/zinc/89/81/56/863898156.db2.gz VPTFATOQXXJQTI-AWEZNQCLSA-N 2 1 389.569 3.741 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000667607983 863898165 /nfs/dbraw/zinc/89/81/65/863898165.db2.gz VPTFATOQXXJQTI-AWEZNQCLSA-N 2 1 389.569 3.741 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667607983 863898175 /nfs/dbraw/zinc/89/81/75/863898175.db2.gz VPTFATOQXXJQTI-AWEZNQCLSA-N 2 1 389.569 3.741 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000158704152 863921804 /nfs/dbraw/zinc/92/18/04/863921804.db2.gz FYTIMFGQKLOPOU-UHFFFAOYSA-N 2 1 391.559 3.889 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000158811013 863958982 /nfs/dbraw/zinc/95/89/82/863958982.db2.gz ZNKHRESBVQFUNY-MSYCTHLASA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000158811013 863958999 /nfs/dbraw/zinc/95/89/99/863958999.db2.gz ZNKHRESBVQFUNY-MSYCTHLASA-N 2 1 375.520 3.829 20 0 GHADMP C[C@@H]1CC([N@@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054768 863985334 /nfs/dbraw/zinc/98/53/34/863985334.db2.gz BEQWHEIEOIWSDY-DBQGFPOUSA-N 2 1 399.579 3.979 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](Oc3ncc(F)cn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054798 863985469 /nfs/dbraw/zinc/98/54/69/863985469.db2.gz BIGSYZJWMWVELE-HRQSHJORSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](Oc3ncc(F)cn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054798 863985477 /nfs/dbraw/zinc/98/54/77/863985477.db2.gz BIGSYZJWMWVELE-HRQSHJORSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054798 863985484 /nfs/dbraw/zinc/98/54/84/863985484.db2.gz BIGSYZJWMWVELE-HRQSHJORSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054798 863985493 /nfs/dbraw/zinc/98/54/93/863985493.db2.gz BIGSYZJWMWVELE-HRQSHJORSA-N 2 1 384.499 3.510 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537631281 881717299 /nfs/dbraw/zinc/71/72/99/881717299.db2.gz JXCQHROVEFFCCU-DEOSSOPVSA-N 2 1 387.531 3.960 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537631281 881717314 /nfs/dbraw/zinc/71/73/14/881717314.db2.gz JXCQHROVEFFCCU-DEOSSOPVSA-N 2 1 387.531 3.960 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000537631281 881717330 /nfs/dbraw/zinc/71/73/30/881717330.db2.gz JXCQHROVEFFCCU-DEOSSOPVSA-N 2 1 387.531 3.960 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000537631281 881717342 /nfs/dbraw/zinc/71/73/42/881717342.db2.gz JXCQHROVEFFCCU-DEOSSOPVSA-N 2 1 387.531 3.960 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103510227 864044267 /nfs/dbraw/zinc/04/42/67/864044267.db2.gz GJIQODXYURJWSE-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP CN(C)Cc1cnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518750 864079064 /nfs/dbraw/zinc/07/90/64/864079064.db2.gz KXRKIRMPHBHGFU-HSALFYBXSA-N 2 1 384.593 3.595 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518750 864079080 /nfs/dbraw/zinc/07/90/80/864079080.db2.gz KXRKIRMPHBHGFU-HSALFYBXSA-N 3 1 384.593 3.595 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518750 864079097 /nfs/dbraw/zinc/07/90/97/864079097.db2.gz KXRKIRMPHBHGFU-HSALFYBXSA-N 3 1 384.593 3.595 20 0 GHADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000554300870 864083888 /nfs/dbraw/zinc/08/38/88/864083888.db2.gz GRKXMDBASIHAEH-JOCLIGHLSA-N 2 1 375.944 3.514 20 0 GHADMP FC(F)(F)Cn1ccnc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522738 864090574 /nfs/dbraw/zinc/09/05/74/864090574.db2.gz SVPCHFMXPLAEQV-QYZOEREBSA-N 2 1 392.469 3.836 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000475120247 864221930 /nfs/dbraw/zinc/22/19/30/864221930.db2.gz QSZWKOKAUGKNLT-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475120247 864221947 /nfs/dbraw/zinc/22/19/47/864221947.db2.gz QSZWKOKAUGKNLT-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475120247 864221960 /nfs/dbraw/zinc/22/19/60/864221960.db2.gz QSZWKOKAUGKNLT-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP CC(C)c1cc(N2CCC[C@H]([N@H+](C)Cc3ccccn3)CC2)nc(N(C)C)[nH+]1 ZINC000480209058 864268815 /nfs/dbraw/zinc/26/88/15/864268815.db2.gz LEXJXCBVLOHVLL-IBGZPJMESA-N 2 1 382.556 3.552 20 0 GHADMP CC(C)c1cc(N2CCC[C@H]([N@@H+](C)Cc3ccccn3)CC2)nc(N(C)C)[nH+]1 ZINC000480209058 864268825 /nfs/dbraw/zinc/26/88/25/864268825.db2.gz LEXJXCBVLOHVLL-IBGZPJMESA-N 2 1 382.556 3.552 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480208659 864270088 /nfs/dbraw/zinc/27/00/88/864270088.db2.gz XBVBFYZBLWYIIH-NFBKMPQASA-N 2 1 391.559 3.645 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059292 864526074 /nfs/dbraw/zinc/52/60/74/864526074.db2.gz SWICFAWUROZUCU-WOIUINJBSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168059292 864526083 /nfs/dbraw/zinc/52/60/83/864526083.db2.gz SWICFAWUROZUCU-WOIUINJBSA-N 2 1 380.536 3.680 20 0 GHADMP C[C@@H]1C[C@@H](N(c2ncc(F)cn2)C2CC[NH2+]CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059368 864542919 /nfs/dbraw/zinc/54/29/19/864542919.db2.gz TWLYALXYNPPOFA-OPMZPASUSA-N 2 1 397.542 3.616 20 0 GHADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC000164452861 864614235 /nfs/dbraw/zinc/61/42/35/864614235.db2.gz FWECZAXDJQFTJF-SFHVURJKSA-N 2 1 395.613 3.632 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000184552412 864680407 /nfs/dbraw/zinc/68/04/07/864680407.db2.gz QIUNEHLOMSQJSU-RTWAWAEBSA-N 2 1 387.568 3.729 20 0 GHADMP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)s1 ZINC000165541773 864681753 /nfs/dbraw/zinc/68/17/53/864681753.db2.gz FVPBIOCZFRZWMF-ROUUACIJSA-N 2 1 378.586 3.857 20 0 GHADMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000166015164 864708249 /nfs/dbraw/zinc/70/82/49/864708249.db2.gz AGBYYFXXTPPPDT-VWNXMTODSA-N 2 1 380.532 3.776 20 0 GHADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000166014928 864708322 /nfs/dbraw/zinc/70/83/22/864708322.db2.gz AGBYYFXXTPPPDT-UPVQGACJSA-N 2 1 380.532 3.776 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC000667680593 864747120 /nfs/dbraw/zinc/74/71/20/864747120.db2.gz LLJMHPQJYFBOTQ-UHFFFAOYSA-N 2 1 398.389 3.723 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cncc(Br)c2C)CC1 ZINC000667680593 864747124 /nfs/dbraw/zinc/74/71/24/864747124.db2.gz LLJMHPQJYFBOTQ-UHFFFAOYSA-N 2 1 398.389 3.723 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)c1ccccc1 ZINC000554707135 864754002 /nfs/dbraw/zinc/75/40/02/864754002.db2.gz FCEURGSXDYBRPN-NHCUHLMSSA-N 2 1 385.577 3.820 20 0 GHADMP C[C@H](CCN1CCC[N@H+](C2CCCC2)CC1)N1CCC[NH+](C2CCCC2)CC1 ZINC000178308154 864767336 /nfs/dbraw/zinc/76/73/36/864767336.db2.gz KXSAOFVRXLTELT-JOCHJYFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[C@H](CCN1CCC[NH+](C2CCCC2)CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000178308154 864767342 /nfs/dbraw/zinc/76/73/42/864767342.db2.gz KXSAOFVRXLTELT-JOCHJYFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[C@H](CCN1CCC[NH+](C2CCCC2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178308154 864767352 /nfs/dbraw/zinc/76/73/52/864767352.db2.gz KXSAOFVRXLTELT-JOCHJYFZSA-N 2 1 390.660 3.666 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000607897569 864852461 /nfs/dbraw/zinc/85/24/61/864852461.db2.gz CCLQMZZTAFVWQC-SJORKVTESA-N 2 1 399.501 3.683 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000480558794 864861088 /nfs/dbraw/zinc/86/10/88/864861088.db2.gz SSWGUHXRFKZYLM-ZJSXRUAMSA-N 2 1 388.559 3.974 20 0 GHADMP CN(C(=O)CC(C)(C)C(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000480582988 864908759 /nfs/dbraw/zinc/90/87/59/864908759.db2.gz QAEQCWQZDSLZCU-IAGOWNOFSA-N 2 1 391.522 3.761 20 0 GHADMP CN(C(=O)CC(C)(C)C(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000480582995 864909024 /nfs/dbraw/zinc/90/90/24/864909024.db2.gz QAEQCWQZDSLZCU-SJORKVTESA-N 2 1 391.522 3.761 20 0 GHADMP C[C@@H]1C[C@@H](N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063433 864929949 /nfs/dbraw/zinc/92/99/49/864929949.db2.gz NIJCCPWTAQPTKF-ACHVPNTGSA-N 3 1 388.644 3.633 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@@H](C)C1 ZINC000480608435 864939933 /nfs/dbraw/zinc/93/99/33/864939933.db2.gz JMGYLCVXVWHFSJ-YADARESESA-N 2 1 398.595 3.758 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000480710297 865148912 /nfs/dbraw/zinc/14/89/12/865148912.db2.gz WGOKVQGAEKPKMA-LJQANCHMSA-N 2 1 379.548 3.705 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(-c2ccnn2C)c1 ZINC000554913134 865155762 /nfs/dbraw/zinc/15/57/62/865155762.db2.gz GOPOXTYVWJSWCY-UHFFFAOYSA-N 2 1 390.531 3.518 20 0 GHADMP COc1cccc2c1CC[C@@H]2[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000480781040 865255719 /nfs/dbraw/zinc/25/57/19/865255719.db2.gz QFPRUQRSBXSFDT-GOTSBHOMSA-N 2 1 379.548 3.651 20 0 GHADMP COc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)cc1 ZINC000480824678 865358163 /nfs/dbraw/zinc/35/81/63/865358163.db2.gz PRPPHCUBGWDMEX-REWPJTCUSA-N 2 1 399.579 3.603 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074791893 881873654 /nfs/dbraw/zinc/87/36/54/881873654.db2.gz RQVGKVCCJAKTGO-FRIKZZABSA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1)CC1CC1 ZINC001168425090 865475871 /nfs/dbraw/zinc/47/58/71/865475871.db2.gz ZMOKEFRJFCGUSM-QFIPXVFZSA-N 2 1 391.600 3.974 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000608684921 865555816 /nfs/dbraw/zinc/55/58/16/865555816.db2.gz CNZZAKSTQQRWKW-VXKWHMMOSA-N 2 1 386.584 3.729 20 0 GHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237806 865603295 /nfs/dbraw/zinc/60/32/95/865603295.db2.gz IKQPRZPZJNDCTI-LJQANCHMSA-N 2 1 395.547 3.744 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000533984867 865700217 /nfs/dbraw/zinc/70/02/17/865700217.db2.gz AKIFSAMSWDFTBQ-HDJSHQJTSA-N 2 1 398.595 3.774 20 0 GHADMP COCCN1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000555225769 865742598 /nfs/dbraw/zinc/74/25/98/865742598.db2.gz LUNKGXVGTOROGI-HPSPMSPLSA-N 2 1 391.987 3.564 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000494564842 881918970 /nfs/dbraw/zinc/91/89/70/881918970.db2.gz LUOHIRGHQVTIMZ-OALUTQOASA-N 2 1 378.442 3.667 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000494564842 881918990 /nfs/dbraw/zinc/91/89/90/881918990.db2.gz LUOHIRGHQVTIMZ-OALUTQOASA-N 2 1 378.442 3.667 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000494564847 881919304 /nfs/dbraw/zinc/91/93/04/881919304.db2.gz LUOHIRGHQVTIMZ-RTBURBONSA-N 2 1 378.442 3.667 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000494564847 881919319 /nfs/dbraw/zinc/91/93/19/881919319.db2.gz LUOHIRGHQVTIMZ-RTBURBONSA-N 2 1 378.442 3.667 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857008675 881926210 /nfs/dbraw/zinc/92/62/10/881926210.db2.gz FNXRFHALDGDXLF-HXUWFJFHSA-N 2 1 381.520 3.689 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)ccn1 ZINC001168067374 865989632 /nfs/dbraw/zinc/98/96/32/865989632.db2.gz UVHMCNSXGVZRQD-DNVFCKCGSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cc(O[C@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001168067385 865992896 /nfs/dbraw/zinc/99/28/96/865992896.db2.gz UVHMCNSXGVZRQD-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001168067385 865992900 /nfs/dbraw/zinc/99/29/00/865992900.db2.gz UVHMCNSXGVZRQD-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001168067385 865992904 /nfs/dbraw/zinc/99/29/04/865992904.db2.gz UVHMCNSXGVZRQD-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1C(C)(C)C1(C)C ZINC000475547483 866233785 /nfs/dbraw/zinc/23/37/85/866233785.db2.gz LWVUUOHJFALJDC-UHFFFAOYSA-N 2 1 392.632 3.506 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000793202013 881982259 /nfs/dbraw/zinc/98/22/59/881982259.db2.gz CQIPMISHINATAX-AQNXPRMDSA-N 2 1 394.506 3.855 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000127292639 866649909 /nfs/dbraw/zinc/64/99/09/866649909.db2.gz YYEROJHVZYTDNX-PNLZDCPESA-N 2 1 391.556 3.521 20 0 GHADMP Cc1ccc([C@H](CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)[NH+]2CCCC2)o1 ZINC000857098529 882013477 /nfs/dbraw/zinc/01/34/77/882013477.db2.gz DSGCGAJOTDFGKM-YADHBBJMSA-N 2 1 395.547 3.964 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000553143900 866873917 /nfs/dbraw/zinc/87/39/17/866873917.db2.gz SQROJXSTYRIIAC-VWNXMTODSA-N 2 1 397.607 3.710 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000444588648 866910407 /nfs/dbraw/zinc/91/04/07/866910407.db2.gz FMKDVEPURQONFX-DYESRHJHSA-N 2 1 395.551 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000444588648 866910422 /nfs/dbraw/zinc/91/04/22/866910422.db2.gz FMKDVEPURQONFX-DYESRHJHSA-N 2 1 395.551 3.805 20 0 GHADMP c1csc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)c1 ZINC000153627633 866992296 /nfs/dbraw/zinc/99/22/96/866992296.db2.gz NIBVMCZAMAKUNM-FQEVSTJZSA-N 2 1 377.598 3.508 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)C[C@H](C)O1 ZINC000479054458 867066493 /nfs/dbraw/zinc/06/64/93/867066493.db2.gz GHMWCKWVBLKNMQ-JQVVWYNYSA-N 2 1 382.552 3.729 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000465565847 867094742 /nfs/dbraw/zinc/09/47/42/867094742.db2.gz HGBVFRLJONLZSH-QFIPXVFZSA-N 2 1 394.563 3.699 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000133204158 882059176 /nfs/dbraw/zinc/05/91/76/882059176.db2.gz DOOPBPAFIUDLPH-LJQANCHMSA-N 2 1 397.485 3.660 20 0 GHADMP CN(C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000857153241 882061626 /nfs/dbraw/zinc/06/16/26/882061626.db2.gz UTNCMRWHDHQOTN-ZEQRLZLVSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000857153241 882061643 /nfs/dbraw/zinc/06/16/43/882061643.db2.gz UTNCMRWHDHQOTN-ZEQRLZLVSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000857153241 882061659 /nfs/dbraw/zinc/06/16/59/882061659.db2.gz UTNCMRWHDHQOTN-ZEQRLZLVSA-N 2 1 391.559 3.842 20 0 GHADMP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000523580465 867576745 /nfs/dbraw/zinc/57/67/45/867576745.db2.gz OOCMALDLPCNVTG-RBUKOAKNSA-N 2 1 379.548 3.679 20 0 GHADMP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000523580465 867576757 /nfs/dbraw/zinc/57/67/57/867576757.db2.gz OOCMALDLPCNVTG-RBUKOAKNSA-N 2 1 379.548 3.679 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534820676 867577201 /nfs/dbraw/zinc/57/72/01/867577201.db2.gz MIQWJCUKVMLOMA-UXHICEINSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534820676 867577216 /nfs/dbraw/zinc/57/72/16/867577216.db2.gz MIQWJCUKVMLOMA-UXHICEINSA-N 2 1 392.975 3.506 20 0 GHADMP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000155108825 867754726 /nfs/dbraw/zinc/75/47/26/867754726.db2.gz ZPGYSTCUOHQORN-RBBKRZOGSA-N 2 1 388.600 3.800 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190205371 882118655 /nfs/dbraw/zinc/11/86/55/882118655.db2.gz ZHHCBYPQFWQEPT-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCCC(C)(C)C2)[C@H]1c1cccs1 ZINC000445138438 867855723 /nfs/dbraw/zinc/85/57/23/867855723.db2.gz QCMLNKPYVVWDLY-MJGOQNOKSA-N 2 1 392.613 3.552 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[C@H]1c1cccs1 ZINC000445138438 867855738 /nfs/dbraw/zinc/85/57/38/867855738.db2.gz QCMLNKPYVVWDLY-MJGOQNOKSA-N 2 1 392.613 3.552 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)[C@H]1c1cccs1 ZINC000445138438 867855758 /nfs/dbraw/zinc/85/57/58/867855758.db2.gz QCMLNKPYVVWDLY-MJGOQNOKSA-N 2 1 392.613 3.552 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000523784375 867958304 /nfs/dbraw/zinc/95/83/04/867958304.db2.gz SUXLHDAPPRLYRL-RBUKOAKNSA-N 2 1 392.613 3.504 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000523851280 868095865 /nfs/dbraw/zinc/09/58/65/868095865.db2.gz NEILLSQLZYVBEF-WMZHIEFXSA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000523851280 868095898 /nfs/dbraw/zinc/09/58/98/868095898.db2.gz NEILLSQLZYVBEF-WMZHIEFXSA-N 2 1 379.548 3.980 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000479654816 868311679 /nfs/dbraw/zinc/31/16/79/868311679.db2.gz HYPKIXZEYIIZPY-UZKOGDIHSA-N 2 1 388.600 3.798 20 0 GHADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156887379 868492349 /nfs/dbraw/zinc/49/23/49/868492349.db2.gz GTLKCZPCZPVMMS-KNQAVFIVSA-N 2 1 379.548 3.852 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000479856851 868608217 /nfs/dbraw/zinc/60/82/17/868608217.db2.gz ZYFZTVHXGJOMQJ-CEMLEFRQSA-N 2 1 399.604 3.622 20 0 GHADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000457709642 868667820 /nfs/dbraw/zinc/66/78/20/868667820.db2.gz NVADKCTUCXNBPD-OAQYLSRUSA-N 2 1 384.524 3.610 20 0 GHADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000457709642 868667822 /nfs/dbraw/zinc/66/78/22/868667822.db2.gz NVADKCTUCXNBPD-OAQYLSRUSA-N 2 1 384.524 3.610 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000157933271 868807404 /nfs/dbraw/zinc/80/74/04/868807404.db2.gz OUFGDYIEBJCNIK-ROUUACIJSA-N 2 1 381.586 3.611 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000535507143 868890129 /nfs/dbraw/zinc/89/01/29/868890129.db2.gz KCWRKTNPFCNLGN-SFHVURJKSA-N 2 1 384.351 3.513 20 0 GHADMP C[N@H+](Cc1ccn(-c2ccccc2F)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000445806605 869009706 /nfs/dbraw/zinc/00/97/06/869009706.db2.gz XVFMYLHHMNJREU-UHFFFAOYSA-N 2 1 379.483 3.755 20 0 GHADMP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000744873219 869134212 /nfs/dbraw/zinc/13/42/12/869134212.db2.gz CLXLDFZXGLXOKU-OALUTQOASA-N 2 1 378.605 3.593 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@H]21 ZINC000539895261 869981827 /nfs/dbraw/zinc/98/18/27/869981827.db2.gz ALGNKWBIIAEKBY-VQIMIIECSA-N 2 1 389.341 3.551 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n(C)c1C ZINC000462795081 870095955 /nfs/dbraw/zinc/09/59/55/870095955.db2.gz MUJANNQBHAOLSN-QGZVFWFLSA-N 2 1 383.536 3.784 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)CC[N@H+]1Cc1ccccc1 ZINC000462875416 870274771 /nfs/dbraw/zinc/27/47/71/870274771.db2.gz RQLODCYVYKHMFA-YGOYIFOWSA-N 2 1 379.548 3.718 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC[NH+]1Cc1ccccc1 ZINC000462875416 870274792 /nfs/dbraw/zinc/27/47/92/870274792.db2.gz RQLODCYVYKHMFA-YGOYIFOWSA-N 2 1 379.548 3.718 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC[NH+]1Cc1ccccc1 ZINC000462875416 870274813 /nfs/dbraw/zinc/27/48/13/870274813.db2.gz RQLODCYVYKHMFA-YGOYIFOWSA-N 2 1 379.548 3.718 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000540045004 870292936 /nfs/dbraw/zinc/29/29/36/870292936.db2.gz YNAVBONVZQIUKP-HSZRJFAPSA-N 2 1 392.547 3.816 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044108 870296642 /nfs/dbraw/zinc/29/66/42/870296642.db2.gz OBOXGTYTQWFAJZ-LJQANCHMSA-N 2 1 392.547 3.598 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044106 870297082 /nfs/dbraw/zinc/29/70/82/870297082.db2.gz OBOXGTYTQWFAJZ-IBGZPJMESA-N 2 1 392.547 3.598 20 0 GHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248197900 870314187 /nfs/dbraw/zinc/31/41/87/870314187.db2.gz XQYJHRPAONGFCH-PGRDOPGGSA-N 2 1 397.538 3.634 20 0 GHADMP Fc1ccc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)co2)cc1F ZINC000173963292 882398218 /nfs/dbraw/zinc/39/82/18/882398218.db2.gz NULNYXKNNGKWDY-UHFFFAOYSA-N 2 1 391.462 3.697 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248598537 870525017 /nfs/dbraw/zinc/52/50/17/870525017.db2.gz UJEPUHBBCSXACN-FVSDWULHSA-N 2 1 386.580 3.684 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(Br)cs1 ZINC000248723816 870608779 /nfs/dbraw/zinc/60/87/79/870608779.db2.gz HAOLMBULBTVGAE-CXAGYDPISA-N 2 1 395.366 3.928 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540160563 870624181 /nfs/dbraw/zinc/62/41/81/870624181.db2.gz NZFIOFIDCDKCCC-IPMKNSEASA-N 2 1 397.332 3.543 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000538799187 870630135 /nfs/dbraw/zinc/63/01/35/870630135.db2.gz SCTPQYBAONFBLC-LPHOPBHVSA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000538799187 870630140 /nfs/dbraw/zinc/63/01/40/870630140.db2.gz SCTPQYBAONFBLC-LPHOPBHVSA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000538799187 870630150 /nfs/dbraw/zinc/63/01/50/870630150.db2.gz SCTPQYBAONFBLC-LPHOPBHVSA-N 2 1 398.503 3.677 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174126512 882428462 /nfs/dbraw/zinc/42/84/62/882428462.db2.gz IXCQAFRHUNLCGV-WMZHIEFXSA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000448473782 870751124 /nfs/dbraw/zinc/75/11/24/870751124.db2.gz UBLDZTTZVFPRBK-BHDDXSALSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000448473782 870751142 /nfs/dbraw/zinc/75/11/42/870751142.db2.gz UBLDZTTZVFPRBK-BHDDXSALSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000448473782 870751159 /nfs/dbraw/zinc/75/11/59/870751159.db2.gz UBLDZTTZVFPRBK-BHDDXSALSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000461698073 870752861 /nfs/dbraw/zinc/75/28/61/870752861.db2.gz KDZRHJXVKFWFOA-UZLBHIALSA-N 2 1 399.501 3.534 20 0 GHADMP COC(=O)C1(C)CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001168797810 870841234 /nfs/dbraw/zinc/84/12/34/870841234.db2.gz YJWLGHWFAQDNHN-IKPFXXEMSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001168797810 870841250 /nfs/dbraw/zinc/84/12/50/870841250.db2.gz YJWLGHWFAQDNHN-IKPFXXEMSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001168797810 870841268 /nfs/dbraw/zinc/84/12/68/870841268.db2.gz YJWLGHWFAQDNHN-IKPFXXEMSA-N 2 1 384.564 3.952 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648424 870879348 /nfs/dbraw/zinc/87/93/48/870879348.db2.gz YDOWNIQNGILTCK-FCHUYYIVSA-N 2 1 389.543 3.866 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249727392 870890282 /nfs/dbraw/zinc/89/02/82/870890282.db2.gz RIDWIOIMRCLRHY-RTBURBONSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249727392 870890294 /nfs/dbraw/zinc/89/02/94/870890294.db2.gz RIDWIOIMRCLRHY-RTBURBONSA-N 2 1 397.567 3.559 20 0 GHADMP CCN(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000447053524 870926185 /nfs/dbraw/zinc/92/61/85/870926185.db2.gz DBLUYQYCMXJTKL-XXBNENTESA-N 2 1 398.595 3.728 20 0 GHADMP CCN(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000447053522 870926476 /nfs/dbraw/zinc/92/64/76/870926476.db2.gz DBLUYQYCMXJTKL-CVDCTZTESA-N 2 1 398.595 3.728 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1)CC1CC1 ZINC000538948497 870956570 /nfs/dbraw/zinc/95/65/70/870956570.db2.gz BDAJLMJFUSVJCP-UHFFFAOYSA-N 2 1 378.948 3.508 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1)CC1CC1 ZINC000538948497 870956584 /nfs/dbraw/zinc/95/65/84/870956584.db2.gz BDAJLMJFUSVJCP-UHFFFAOYSA-N 2 1 378.948 3.508 20 0 GHADMP C[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000463191692 871096936 /nfs/dbraw/zinc/09/69/36/871096936.db2.gz NKXBCQQAHLWYCQ-PXDATVDWSA-N 2 1 377.576 3.946 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463191727 871097034 /nfs/dbraw/zinc/09/70/34/871097034.db2.gz NSXRIZYAAVSWEA-UYAOXDASSA-N 2 1 384.520 3.725 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463191727 871097053 /nfs/dbraw/zinc/09/70/53/871097053.db2.gz NSXRIZYAAVSWEA-UYAOXDASSA-N 2 1 384.520 3.725 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463205296 871132276 /nfs/dbraw/zinc/13/22/76/871132276.db2.gz MOFYLOMMGLUPAI-NNWRFLSQSA-N 2 1 379.548 3.917 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463205296 871132278 /nfs/dbraw/zinc/13/22/78/871132278.db2.gz MOFYLOMMGLUPAI-NNWRFLSQSA-N 2 1 379.548 3.917 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463207950 871139671 /nfs/dbraw/zinc/13/96/71/871139671.db2.gz UPQTYYBKEUYDEK-XXBNENTESA-N 2 1 397.538 3.805 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463207950 871139679 /nfs/dbraw/zinc/13/96/79/871139679.db2.gz UPQTYYBKEUYDEK-XXBNENTESA-N 2 1 397.538 3.805 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001169101252 871175147 /nfs/dbraw/zinc/17/51/47/871175147.db2.gz PWIPYXOLKXJAPX-MXEMCNAFSA-N 2 1 385.552 3.563 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)C(=O)N(CC1CC1)[C@@H]3c1ccccc1)C2 ZINC001169136822 871225185 /nfs/dbraw/zinc/22/51/85/871225185.db2.gz AFCKOIXVXLJCRO-KAOXLYBCSA-N 2 1 393.575 3.687 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000539085871 871231408 /nfs/dbraw/zinc/23/14/08/871231408.db2.gz YUOUGFSLPBRKKI-YLJYHZDGSA-N 2 1 380.511 3.755 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccccc3Br)CC1)C2 ZINC001169109086 871232855 /nfs/dbraw/zinc/23/28/55/871232855.db2.gz HLSIIGNURTYNGO-REPLKXPHSA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001169114981 871234592 /nfs/dbraw/zinc/23/45/92/871234592.db2.gz FWILPPRGGVEGMU-NNZMDNLPSA-N 2 1 379.342 3.670 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463241927 871247853 /nfs/dbraw/zinc/24/78/53/871247853.db2.gz FZIBWQILYJZVEZ-FCJDFRRUSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463241927 871247869 /nfs/dbraw/zinc/24/78/69/871247869.db2.gz FZIBWQILYJZVEZ-FCJDFRRUSA-N 2 1 383.580 3.810 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C3CCN(C(=O)c4ccccc4)CC3)CC1)C2 ZINC001169143326 871251924 /nfs/dbraw/zinc/25/19/24/871251924.db2.gz ZUXVAQPVJJMYGZ-UBRQYEGLSA-N 2 1 395.591 3.876 20 0 GHADMP COC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000539073515 871261168 /nfs/dbraw/zinc/26/11/68/871261168.db2.gz MGQARQFHMSNTFG-FCEWJHQRSA-N 2 1 388.474 3.872 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000465561030 871309287 /nfs/dbraw/zinc/30/92/87/871309287.db2.gz DKRIERDPYVMHJM-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463279627 871316929 /nfs/dbraw/zinc/31/69/29/871316929.db2.gz KEPNZFRKVLDUMG-YLJYHZDGSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463279627 871316953 /nfs/dbraw/zinc/31/69/53/871316953.db2.gz KEPNZFRKVLDUMG-YLJYHZDGSA-N 2 1 383.502 3.903 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC001193807085 871318806 /nfs/dbraw/zinc/31/88/06/871318806.db2.gz HHJXOZWOYWTYMI-LJQANCHMSA-N 2 1 386.584 3.525 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)CC1 ZINC001169253785 871351453 /nfs/dbraw/zinc/35/14/53/871351453.db2.gz ISXNREVPVNATAG-LJQANCHMSA-N 2 1 395.591 3.661 20 0 GHADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539145572 871371577 /nfs/dbraw/zinc/37/15/77/871371577.db2.gz IVFRZWYTBXFYPR-KZNAEPCWSA-N 2 1 380.960 3.991 20 0 GHADMP CCC[N@@H+](Cc1cc(Br)c(Br)o1)C[C@H]1CC[NH2+]C1 ZINC001236836498 871455978 /nfs/dbraw/zinc/45/59/78/871455978.db2.gz WKLLXDPXTVEDTN-JTQLQIEISA-N 2 1 380.124 3.626 20 0 GHADMP CCC[N@H+](Cc1cc(Br)c(Br)o1)C[C@H]1CC[NH2+]C1 ZINC001236836498 871455989 /nfs/dbraw/zinc/45/59/89/871455989.db2.gz WKLLXDPXTVEDTN-JTQLQIEISA-N 2 1 380.124 3.626 20 0 GHADMP CCC[N@H+](Cc1ccc(Cl)c(I)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843372 871489503 /nfs/dbraw/zinc/48/95/03/871489503.db2.gz NOICFROQYKYTPS-CYBMUJFWSA-N 2 1 392.712 3.766 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000539201617 871492459 /nfs/dbraw/zinc/49/24/59/871492459.db2.gz ASQVSHCBPOOWNG-RBUKOAKNSA-N 2 1 381.358 3.583 20 0 GHADMP [NH3+][C@@H]1CCc2c1cccc2N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169524869 871602679 /nfs/dbraw/zinc/60/26/79/871602679.db2.gz ZTHFGXOGYAFCSJ-WEYGHZABSA-N 2 1 379.504 3.504 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001169539931 871617193 /nfs/dbraw/zinc/61/71/93/871617193.db2.gz KZNYRFQTRNWBFD-XMSQKQJNSA-N 2 1 390.531 3.931 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000539306731 871700828 /nfs/dbraw/zinc/70/08/28/871700828.db2.gz NGEIOAFKNDURLJ-CXAGYDPISA-N 2 1 387.387 3.790 20 0 GHADMP O[C@@H]1c2ccccc2CC[C@H]1Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001169617120 871709024 /nfs/dbraw/zinc/70/90/24/871709024.db2.gz ASSMIFBOHFBMAD-JXHRLWIKSA-N 2 1 376.504 3.811 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000525957107 871793585 /nfs/dbraw/zinc/79/35/85/871793585.db2.gz FVXNCPPFDOSKFU-ZJSXRUAMSA-N 2 1 377.532 3.989 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001169727401 871802507 /nfs/dbraw/zinc/80/25/07/871802507.db2.gz ABHFJPBUMKPOHB-FGCOXFRFSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001169727401 871802519 /nfs/dbraw/zinc/80/25/19/871802519.db2.gz ABHFJPBUMKPOHB-FGCOXFRFSA-N 2 1 391.559 3.934 20 0 GHADMP CCc1ccccc1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821072 871848678 /nfs/dbraw/zinc/84/86/78/871848678.db2.gz YJSCPCMIPLSHQY-UHFFFAOYSA-N 2 1 380.536 3.821 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2I)CCC[C@@H]1C[NH3+] ZINC001206025274 872021034 /nfs/dbraw/zinc/02/10/34/872021034.db2.gz MYOONXQFZLYPIJ-VXGBXAGGSA-N 2 1 392.712 3.751 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000775622478 872064521 /nfs/dbraw/zinc/06/45/21/872064521.db2.gz WGDRQIMVRGVSGV-PWRODBHTSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000477909639 872117643 /nfs/dbraw/zinc/11/76/43/872117643.db2.gz DYQPTIJABJXSQA-LLBVYWAGSA-N 2 1 388.502 3.616 20 0 GHADMP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000775633486 872154741 /nfs/dbraw/zinc/15/47/41/872154741.db2.gz PFZGZKQHXNLDPA-OALUTQOASA-N 2 1 382.495 3.984 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000618948295 872162531 /nfs/dbraw/zinc/16/25/31/872162531.db2.gz AJQRQVPILADGAU-FQEVSTJZSA-N 2 1 392.632 3.795 20 0 GHADMP CCC[N@H+](Cc1c(CC)nn(C)c1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417611 872165809 /nfs/dbraw/zinc/16/58/09/872165809.db2.gz LVQUGWRHFOMGIN-UHFFFAOYSA-N 2 1 398.599 3.833 20 0 GHADMP CCC[N@@H+](Cc1c(CC)nn(C)c1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417611 872165824 /nfs/dbraw/zinc/16/58/24/872165824.db2.gz LVQUGWRHFOMGIN-UHFFFAOYSA-N 2 1 398.599 3.833 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1OC ZINC000552238203 872287094 /nfs/dbraw/zinc/28/70/94/872287094.db2.gz VTHZYQIOXRGPFN-GOSISDBHSA-N 2 1 398.547 3.565 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1)CC1CC1 ZINC000775648958 872307642 /nfs/dbraw/zinc/30/76/42/872307642.db2.gz CPBQEJZABQEHON-UHFFFAOYSA-N 2 1 381.568 3.660 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1)CC1CC1 ZINC000775648958 872307654 /nfs/dbraw/zinc/30/76/54/872307654.db2.gz CPBQEJZABQEHON-UHFFFAOYSA-N 2 1 381.568 3.660 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1I ZINC000552258260 872310635 /nfs/dbraw/zinc/31/06/35/872310635.db2.gz BBPBVWFZAATGDP-DJIMGWMZSA-N 2 1 384.305 3.562 20 0 GHADMP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OCc1cccnc1 ZINC000093660117 872325741 /nfs/dbraw/zinc/32/57/41/872325741.db2.gz PGHDEKXCSUIFKS-OAQYLSRUSA-N 2 1 383.536 3.975 20 0 GHADMP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OCc1cccnc1 ZINC000093660117 872325746 /nfs/dbraw/zinc/32/57/46/872325746.db2.gz PGHDEKXCSUIFKS-OAQYLSRUSA-N 2 1 383.536 3.975 20 0 GHADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1OCc1cccnc1 ZINC000093660117 872325765 /nfs/dbraw/zinc/32/57/65/872325765.db2.gz PGHDEKXCSUIFKS-OAQYLSRUSA-N 2 1 383.536 3.975 20 0 GHADMP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1OCc1cccnc1 ZINC000093660117 872325773 /nfs/dbraw/zinc/32/57/73/872325773.db2.gz PGHDEKXCSUIFKS-OAQYLSRUSA-N 2 1 383.536 3.975 20 0 GHADMP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000540965811 872644802 /nfs/dbraw/zinc/64/48/02/872644802.db2.gz YXCZZDQSFXHDBG-MJGOQNOKSA-N 2 1 378.520 3.630 20 0 GHADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076145009 882639227 /nfs/dbraw/zinc/63/92/27/882639227.db2.gz RUHOKFXZUJXSBO-PXNSSMCTSA-N 2 1 375.557 3.604 20 0 GHADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076145009 882639236 /nfs/dbraw/zinc/63/92/36/882639236.db2.gz RUHOKFXZUJXSBO-PXNSSMCTSA-N 2 1 375.557 3.604 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2cc(C)ccc2C)cc1 ZINC000541022663 872735864 /nfs/dbraw/zinc/73/58/64/872735864.db2.gz LEGKBLMEJQKOTO-AVRDEDQJSA-N 2 1 379.504 3.888 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000552561043 872808697 /nfs/dbraw/zinc/80/86/97/872808697.db2.gz VDBTTWLTLYEBGF-FDDCHVKYSA-N 2 1 377.532 3.722 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000552561043 872808718 /nfs/dbraw/zinc/80/87/18/872808718.db2.gz VDBTTWLTLYEBGF-FDDCHVKYSA-N 2 1 377.532 3.722 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000152849605 872913373 /nfs/dbraw/zinc/91/33/73/872913373.db2.gz VVHMCRXRIRDTAS-KBAYOESNSA-N 2 1 385.474 3.545 20 0 GHADMP Cc1cccc(C)c1OCCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196575770 873234939 /nfs/dbraw/zinc/23/49/39/873234939.db2.gz XKAOXUNVZHZCJX-DEOSSOPVSA-N 2 1 382.548 3.641 20 0 GHADMP Cc1cccc(C)c1OCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001196575770 873234948 /nfs/dbraw/zinc/23/49/48/873234948.db2.gz XKAOXUNVZHZCJX-DEOSSOPVSA-N 2 1 382.548 3.641 20 0 GHADMP Cc1cccc(C)c1OCCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001196575770 873234961 /nfs/dbraw/zinc/23/49/61/873234961.db2.gz XKAOXUNVZHZCJX-DEOSSOPVSA-N 2 1 382.548 3.641 20 0 GHADMP Cc1cccc(C)c1OCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001196575770 873234969 /nfs/dbraw/zinc/23/49/69/873234969.db2.gz XKAOXUNVZHZCJX-DEOSSOPVSA-N 2 1 382.548 3.641 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501782 873341904 /nfs/dbraw/zinc/34/19/04/873341904.db2.gz WRENRCGKRFCHNM-NZQKXSOJSA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501782 873341918 /nfs/dbraw/zinc/34/19/18/873341918.db2.gz WRENRCGKRFCHNM-NZQKXSOJSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501782 873341932 /nfs/dbraw/zinc/34/19/32/873341932.db2.gz WRENRCGKRFCHNM-NZQKXSOJSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ncc3cc(OCc4ccccc4)ccc32)C1 ZINC000768501782 873341945 /nfs/dbraw/zinc/34/19/45/873341945.db2.gz WRENRCGKRFCHNM-NZQKXSOJSA-N 2 1 390.531 3.989 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2csc(-c3cnn(C)c3)n2)C[N@H+]1Cc1ccccc1 ZINC000527684092 873491227 /nfs/dbraw/zinc/49/12/27/873491227.db2.gz RYJNOLMXFGDUNN-IEBWSBKVSA-N 2 1 395.576 3.934 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527762352 873536824 /nfs/dbraw/zinc/53/68/24/873536824.db2.gz ZKCQMFQLGVIAQJ-AUSIDOKSSA-N 2 1 398.595 3.918 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197220636 873657016 /nfs/dbraw/zinc/65/70/16/873657016.db2.gz KMJVMCRCOBGPDN-NRFANRHFSA-N 2 1 378.561 3.616 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197220636 873657021 /nfs/dbraw/zinc/65/70/21/873657021.db2.gz KMJVMCRCOBGPDN-NRFANRHFSA-N 2 1 378.561 3.616 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C)c(Br)s2)C1 ZINC000537646633 882749822 /nfs/dbraw/zinc/74/98/22/882749822.db2.gz FZLKDQWCCJSXJE-CQSZACIVSA-N 2 1 375.376 3.752 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)c(Br)s2)C1 ZINC000537646633 882749836 /nfs/dbraw/zinc/74/98/36/882749836.db2.gz FZLKDQWCCJSXJE-CQSZACIVSA-N 2 1 375.376 3.752 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)n1cccn1 ZINC000527938671 873779257 /nfs/dbraw/zinc/77/92/57/873779257.db2.gz KSYXIFWGKLIWEM-WTGUMLROSA-N 2 1 392.469 3.877 20 0 GHADMP COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882713 882762388 /nfs/dbraw/zinc/76/23/88/882762388.db2.gz RPBSTDWMQMEIMH-ZRBLBEILSA-N 2 1 386.580 3.710 20 0 GHADMP COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550882710 882762560 /nfs/dbraw/zinc/76/25/60/882762560.db2.gz RPBSTDWMQMEIMH-RJGXRXQPSA-N 2 1 386.580 3.710 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196259 873877793 /nfs/dbraw/zinc/87/77/93/873877793.db2.gz UGAZQZGKCCNTCL-FQEVSTJZSA-N 2 1 389.584 3.991 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196259 873877815 /nfs/dbraw/zinc/87/78/15/873877815.db2.gz UGAZQZGKCCNTCL-FQEVSTJZSA-N 2 1 389.584 3.991 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000769196259 873877834 /nfs/dbraw/zinc/87/78/34/873877834.db2.gz UGAZQZGKCCNTCL-FQEVSTJZSA-N 2 1 389.584 3.991 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769217957 873899554 /nfs/dbraw/zinc/89/95/54/873899554.db2.gz QFHRGXRJWLRSIA-PKOBYXMFSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769217957 873899568 /nfs/dbraw/zinc/89/95/68/873899568.db2.gz QFHRGXRJWLRSIA-PKOBYXMFSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769217957 873899585 /nfs/dbraw/zinc/89/95/85/873899585.db2.gz QFHRGXRJWLRSIA-PKOBYXMFSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000769513515 874121069 /nfs/dbraw/zinc/12/10/69/874121069.db2.gz BEQUUCBQXSXONO-KRWDZBQOSA-N 2 1 376.570 3.549 20 0 GHADMP CCC1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000541833205 874356047 /nfs/dbraw/zinc/35/60/47/874356047.db2.gz QUAQSYRYUIOLFV-UHFFFAOYSA-N 2 1 394.563 3.571 20 0 GHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449141887 874529989 /nfs/dbraw/zinc/52/99/89/874529989.db2.gz RKVFSPTXCPAEFT-ZWKOTPCHSA-N 2 1 380.598 3.684 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449141887 874529997 /nfs/dbraw/zinc/52/99/97/874529997.db2.gz RKVFSPTXCPAEFT-ZWKOTPCHSA-N 2 1 380.598 3.684 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000449210598 874589483 /nfs/dbraw/zinc/58/94/83/874589483.db2.gz WIBFNLURATWBNJ-YADARESESA-N 2 1 382.548 3.804 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449217827 874607673 /nfs/dbraw/zinc/60/76/73/874607673.db2.gz CCHBAPPXHQSFAH-GOSISDBHSA-N 2 1 388.577 3.824 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3F)s2)CCN1C1CC[NH+](C)CC1 ZINC000449325437 874707228 /nfs/dbraw/zinc/70/72/28/874707228.db2.gz MPDROZCHRQDLJV-MRXNPFEDSA-N 2 1 388.556 3.550 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3F)s2)CCN1C1CC[NH+](C)CC1 ZINC000449325437 874707236 /nfs/dbraw/zinc/70/72/36/874707236.db2.gz MPDROZCHRQDLJV-MRXNPFEDSA-N 2 1 388.556 3.550 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528616420 874800847 /nfs/dbraw/zinc/80/08/47/874800847.db2.gz MAASWDNAGJWFLY-NHCUHLMSSA-N 2 1 389.971 3.781 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528616420 874800863 /nfs/dbraw/zinc/80/08/63/874800863.db2.gz MAASWDNAGJWFLY-NHCUHLMSSA-N 2 1 389.971 3.781 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC001199329276 874928596 /nfs/dbraw/zinc/92/85/96/874928596.db2.gz PMSDOVLVOWHVFZ-GJZGRUSLSA-N 2 1 397.357 3.678 20 0 GHADMP CC[C@@H](Cn1cncn1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000550932926 882881737 /nfs/dbraw/zinc/88/17/37/882881737.db2.gz YEEUIGAHPUUIRD-BNWQVIHTSA-N 2 1 387.959 3.914 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508965 874973863 /nfs/dbraw/zinc/97/38/63/874973863.db2.gz VQKPGOVQGHRDBE-UYAOXDASSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508965 874973872 /nfs/dbraw/zinc/97/38/72/874973872.db2.gz VQKPGOVQGHRDBE-UYAOXDASSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508965 874973879 /nfs/dbraw/zinc/97/38/79/874973879.db2.gz VQKPGOVQGHRDBE-UYAOXDASSA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508965 874973887 /nfs/dbraw/zinc/97/38/87/874973887.db2.gz VQKPGOVQGHRDBE-UYAOXDASSA-N 2 1 391.987 3.710 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449652393 875183380 /nfs/dbraw/zinc/18/33/80/875183380.db2.gz AUAQEKWVXLADBA-LCNLMQJVSA-N 2 1 396.579 3.880 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449652395 875183699 /nfs/dbraw/zinc/18/36/99/875183699.db2.gz AUAQEKWVXLADBA-PBZQEHOFSA-N 2 1 396.579 3.880 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc2ccc(Cl)cc2c1C ZINC000303184788 875204413 /nfs/dbraw/zinc/20/44/13/875204413.db2.gz ZBCWISWOVMTEMU-KRWDZBQOSA-N 2 1 391.943 3.883 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001200990624 875450453 /nfs/dbraw/zinc/45/04/53/875450453.db2.gz YRLFYNXQOCJYRY-GZOXUSKESA-N 2 1 382.548 3.958 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000449809708 875454458 /nfs/dbraw/zinc/45/44/58/875454458.db2.gz HXTOSQRPXJIRTD-DEOSSOPVSA-N 2 1 395.591 3.833 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000449809708 875454467 /nfs/dbraw/zinc/45/44/67/875454467.db2.gz HXTOSQRPXJIRTD-DEOSSOPVSA-N 2 1 395.591 3.833 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000449809708 875454481 /nfs/dbraw/zinc/45/44/81/875454481.db2.gz HXTOSQRPXJIRTD-DEOSSOPVSA-N 2 1 395.591 3.833 20 0 GHADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000263179001 882954255 /nfs/dbraw/zinc/95/42/55/882954255.db2.gz GNEFBHBOFHYDDW-OXJNMPFZSA-N 2 1 398.378 3.982 20 0 GHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001201486594 875715362 /nfs/dbraw/zinc/71/53/62/875715362.db2.gz KMLDYDDCFQFARK-KSEOMHKRSA-N 2 1 375.601 3.776 20 0 GHADMP C[NH+]1CCN(c2cncc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2)CC1 ZINC001201474292 875728024 /nfs/dbraw/zinc/72/80/24/875728024.db2.gz BVLBWVXJSPLQRZ-PKTZIBPZSA-N 2 1 389.547 3.566 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(Br)n3)CC2)nc(C)[nH+]1 ZINC000925224844 875799972 /nfs/dbraw/zinc/79/99/72/875799972.db2.gz OACZPRLTRQVKBF-ZDUSSCGKSA-N 2 1 390.329 3.571 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]CC(C)(C)c2ccc(Br)cc2)CCCO1 ZINC001201980473 875942768 /nfs/dbraw/zinc/94/27/68/875942768.db2.gz DBRSYJNCCHAOOK-INIZCTEOSA-N 2 1 383.374 3.817 20 0 GHADMP CC(C)=CCC[C@H](C)CCN1CCn2c(CN3CCN(C)CC3)cnc2[C@H]1C ZINC001201971493 875959815 /nfs/dbraw/zinc/95/98/15/875959815.db2.gz FFEPOTXDUKDRKI-LEWJYISDSA-N 2 1 387.616 3.780 20 0 GHADMP CC(C)=CCC[C@@H](C)CCN1CCn2c(CN3CCN(C)CC3)cnc2[C@H]1C ZINC001201971495 875960024 /nfs/dbraw/zinc/96/00/24/875960024.db2.gz FFEPOTXDUKDRKI-NHCUHLMSSA-N 2 1 387.616 3.780 20 0 GHADMP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000450225604 876114329 /nfs/dbraw/zinc/11/43/29/876114329.db2.gz HCDVCACPZDGAPI-NJAFHUGGSA-N 2 1 391.522 3.761 20 0 GHADMP c1ccc(Oc2cccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)c2)nc1 ZINC000921495784 883012131 /nfs/dbraw/zinc/01/21/31/883012131.db2.gz HPZLIDCXIPYADN-UHFFFAOYSA-N 2 1 389.499 3.996 20 0 GHADMP C[C@H](c1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394543 876350277 /nfs/dbraw/zinc/35/02/77/876350277.db2.gz RTGYRJVDSBUZGM-YLJYHZDGSA-N 2 1 383.502 3.954 20 0 GHADMP C[C@H](c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394543 876350293 /nfs/dbraw/zinc/35/02/93/876350293.db2.gz RTGYRJVDSBUZGM-YLJYHZDGSA-N 2 1 383.502 3.954 20 0 GHADMP C[C@H](c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394543 876350299 /nfs/dbraw/zinc/35/02/99/876350299.db2.gz RTGYRJVDSBUZGM-YLJYHZDGSA-N 2 1 383.502 3.954 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173561113 876472154 /nfs/dbraw/zinc/47/21/54/876472154.db2.gz LDMDKKKRAKJBIY-YADHBBJMSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000850035682 876620352 /nfs/dbraw/zinc/62/03/52/876620352.db2.gz ZVXXAXPYAYCJIT-LEWJYISDSA-N 2 1 385.552 3.696 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1)C[C@@H]1CCC[C@@H]1O ZINC000450623141 876669661 /nfs/dbraw/zinc/66/96/61/876669661.db2.gz PEBRFLVJYHPVHM-LGGPRVQUSA-N 2 1 394.987 3.526 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000173895341 876707175 /nfs/dbraw/zinc/70/71/75/876707175.db2.gz MONDQRSELCIHCS-IBGZPJMESA-N 2 1 393.531 3.520 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000173895341 876707186 /nfs/dbraw/zinc/70/71/86/876707186.db2.gz MONDQRSELCIHCS-IBGZPJMESA-N 2 1 393.531 3.520 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000173895341 876707193 /nfs/dbraw/zinc/70/71/93/876707193.db2.gz MONDQRSELCIHCS-IBGZPJMESA-N 2 1 393.531 3.520 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000173895341 876707199 /nfs/dbraw/zinc/70/71/99/876707199.db2.gz MONDQRSELCIHCS-IBGZPJMESA-N 2 1 393.531 3.520 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NCc3ccnn3-c3cc[nH+]cc3)cc2)C1 ZINC000850169727 876709905 /nfs/dbraw/zinc/70/99/05/876709905.db2.gz PYRGGYBMSXPWBG-SFHVURJKSA-N 2 1 377.492 3.600 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000130415587 883061577 /nfs/dbraw/zinc/06/15/77/883061577.db2.gz BVECIYUBTSGCMF-NRFANRHFSA-N 2 1 395.547 3.570 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000850357329 876847717 /nfs/dbraw/zinc/84/77/17/876847717.db2.gz FVPSDBMVRQMSRJ-FQEVSTJZSA-N 2 1 389.337 3.614 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cc2)C1 ZINC000850358043 876848407 /nfs/dbraw/zinc/84/84/07/876848407.db2.gz ZWZNEUXOCGRPQD-MRXNPFEDSA-N 2 1 382.476 3.592 20 0 GHADMP CC1(C)CCc2cc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)ccc2O1 ZINC000850357899 876848544 /nfs/dbraw/zinc/84/85/44/876848544.db2.gz XVYCUUZTTQRERN-JOCHJYFZSA-N 2 1 380.532 3.647 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000174148459 876859783 /nfs/dbraw/zinc/85/97/83/876859783.db2.gz MXRGOQGNHOFDIH-NZQKXSOJSA-N 2 1 398.595 3.688 20 0 GHADMP O[C@@H](C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1)C[NH+]1CCCC1 ZINC000238064262 883075118 /nfs/dbraw/zinc/07/51/18/883075118.db2.gz RFKPOTXCWQZNDX-INIZCTEOSA-N 2 1 384.467 3.980 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3c(C)c(C)[nH+]c4ccccc43)C2)CC1 ZINC000450774660 876908537 /nfs/dbraw/zinc/90/85/37/876908537.db2.gz ORZCAFARPJOPQP-OAQYLSRUSA-N 2 1 394.563 3.622 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H](c3ccco3)[NH+](C)C)c2)CC1 ZINC000537669261 883077416 /nfs/dbraw/zinc/07/74/16/883077416.db2.gz FQQKNDLICOLRAU-OAQYLSRUSA-N 2 1 398.551 3.978 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000850467859 876947558 /nfs/dbraw/zinc/94/75/58/876947558.db2.gz VXVIHIYODISYKQ-XVAXZDLZSA-N 2 1 387.568 3.934 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000850467859 876947564 /nfs/dbraw/zinc/94/75/64/876947564.db2.gz VXVIHIYODISYKQ-XVAXZDLZSA-N 2 1 387.568 3.934 20 0 GHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000850573136 877038692 /nfs/dbraw/zinc/03/86/92/877038692.db2.gz JJIVMLUNRVHMHG-PCCBWWKXSA-N 2 1 380.960 3.631 20 0 GHADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(N4CCCNC4=O)cc3)CC2)C1 ZINC000850577146 877047730 /nfs/dbraw/zinc/04/77/30/877047730.db2.gz TXIHXSSOYWXTFJ-AVRDEDQJSA-N 2 1 384.568 3.739 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OCc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000786967307 877055091 /nfs/dbraw/zinc/05/50/91/877055091.db2.gz UVXKWGOGBZMJNU-PTUXOGIPSA-N 2 1 380.532 3.834 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000648122736 877188073 /nfs/dbraw/zinc/18/80/73/877188073.db2.gz IZNAMBCIHCXMMM-HMXCVIKNSA-N 2 1 382.552 3.595 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000136576959 877262360 /nfs/dbraw/zinc/26/23/60/877262360.db2.gz SACFKCXXAZLUCJ-UGKGYDQZSA-N 2 1 386.584 3.728 20 0 GHADMP CC(C)[NH+](Cc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)ccc1F)[C@@H]1CCOC1 ZINC000451046957 877276279 /nfs/dbraw/zinc/27/62/79/877276279.db2.gz AXCLKEGKBQYKQD-NHCUHLMSSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)[NH+](Cc1ccc(F)c(C[N@H+](C(C)C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000451046957 877276291 /nfs/dbraw/zinc/27/62/91/877276291.db2.gz AXCLKEGKBQYKQD-NHCUHLMSSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)[NH+](Cc1ccc(F)c(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000451046957 877276304 /nfs/dbraw/zinc/27/63/04/877276304.db2.gz AXCLKEGKBQYKQD-NHCUHLMSSA-N 2 1 378.532 3.824 20 0 GHADMP CC[N@@H+](CCCC(=O)N1CCC(c2c[nH]cn2)CC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051782 912222989 /nfs/dbraw/zinc/22/29/89/912222989.db2.gz YOKNKQSCJZGZHD-SFHVURJKSA-N 2 1 398.551 3.555 20 0 GHADMP CC[N@H+](CCCC(=O)N1CCC(c2cnc[nH]2)CC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051782 912223024 /nfs/dbraw/zinc/22/30/24/912223024.db2.gz YOKNKQSCJZGZHD-SFHVURJKSA-N 2 1 398.551 3.555 20 0 GHADMP CC[N@@H+](CCCC(=O)N1CCC(c2cnc[nH]2)CC1)[C@@H](C)Cc1ccc(O)cc1 ZINC001183051782 912223043 /nfs/dbraw/zinc/22/30/43/912223043.db2.gz YOKNKQSCJZGZHD-SFHVURJKSA-N 2 1 398.551 3.555 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000175393429 877675595 /nfs/dbraw/zinc/67/55/95/877675595.db2.gz RLOSCSKLMXUGRA-IBGZPJMESA-N 2 1 397.567 3.846 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000175393429 877675604 /nfs/dbraw/zinc/67/56/04/877675604.db2.gz RLOSCSKLMXUGRA-IBGZPJMESA-N 2 1 397.567 3.846 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000551791588 877834749 /nfs/dbraw/zinc/83/47/49/877834749.db2.gz RQCWVOXBBZMELB-KWEVHVCQSA-N 2 1 394.559 3.660 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000551791588 877834762 /nfs/dbraw/zinc/83/47/62/877834762.db2.gz RQCWVOXBBZMELB-KWEVHVCQSA-N 2 1 394.559 3.660 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000615583159 877900428 /nfs/dbraw/zinc/90/04/28/877900428.db2.gz MQRDAHYOCPFBTM-UXHICEINSA-N 2 1 386.584 3.957 20 0 GHADMP Brc1c[nH]nc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC001183144983 912299556 /nfs/dbraw/zinc/29/95/56/912299556.db2.gz DZDYAUATUAFLKO-UHFFFAOYSA-N 2 1 377.330 3.564 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)cn1 ZINC000285475084 912306510 /nfs/dbraw/zinc/30/65/10/912306510.db2.gz ODUJHABZTJUUFV-UHFFFAOYSA-N 2 1 399.539 3.749 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000530587533 878117040 /nfs/dbraw/zinc/11/70/40/878117040.db2.gz PQPPTNRCZVLQKV-DEOSSOPVSA-N 2 1 393.575 3.879 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000530587533 878117050 /nfs/dbraw/zinc/11/70/50/878117050.db2.gz PQPPTNRCZVLQKV-DEOSSOPVSA-N 2 1 393.575 3.879 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC[NH+]1CCCCC1)C1CCCCC1 ZINC000615894982 878236400 /nfs/dbraw/zinc/23/64/00/878236400.db2.gz PFSQDELCTQXPNI-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245655402 878296067 /nfs/dbraw/zinc/29/60/67/878296067.db2.gz DIPUAQGGWNTJQG-QOXZHXANSA-N 2 1 385.596 3.659 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CCc4ccccc4C2)C3)cc1 ZINC000245657345 878299113 /nfs/dbraw/zinc/29/91/13/878299113.db2.gz DWRJBKJTQNKBNR-MPIKPJSNSA-N 2 1 375.560 3.830 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@@H](C)C1 ZINC000245707215 878433928 /nfs/dbraw/zinc/43/39/28/878433928.db2.gz FFUHDBSXIGSMIS-RXVVDRJESA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@@H](C)C1 ZINC000245707215 878433933 /nfs/dbraw/zinc/43/39/33/878433933.db2.gz FFUHDBSXIGSMIS-RXVVDRJESA-N 2 1 383.536 3.831 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000616076933 878476370 /nfs/dbraw/zinc/47/63/70/878476370.db2.gz IHSXWQSTPTYMGX-OAQYLSRUSA-N 2 1 380.621 3.650 20 0 GHADMP CC(C)C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245753367 878544563 /nfs/dbraw/zinc/54/45/63/878544563.db2.gz ULKIRFQAIRODSU-XQUALCHDSA-N 2 1 385.596 3.519 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000245786247 878591458 /nfs/dbraw/zinc/59/14/58/878591458.db2.gz VHXGBLGVAFMQRY-DENIHFKCSA-N 2 1 396.531 3.581 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000245786247 878591469 /nfs/dbraw/zinc/59/14/69/878591469.db2.gz VHXGBLGVAFMQRY-DENIHFKCSA-N 2 1 396.531 3.581 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000245786247 878591489 /nfs/dbraw/zinc/59/14/89/878591489.db2.gz VHXGBLGVAFMQRY-DENIHFKCSA-N 2 1 396.531 3.581 20 0 GHADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000138563953 878634869 /nfs/dbraw/zinc/63/48/69/878634869.db2.gz SBVLMJJXCQIMPL-SZVBFZGTSA-N 2 1 380.458 3.963 20 0 GHADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000138563953 878634879 /nfs/dbraw/zinc/63/48/79/878634879.db2.gz SBVLMJJXCQIMPL-SZVBFZGTSA-N 2 1 380.458 3.963 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537967717 878637489 /nfs/dbraw/zinc/63/74/89/878637489.db2.gz WWAHRUXISDOHER-AUSIDOKSSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537967717 878637496 /nfs/dbraw/zinc/63/74/96/878637496.db2.gz WWAHRUXISDOHER-AUSIDOKSSA-N 2 1 383.580 3.668 20 0 GHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(Br)c1 ZINC000245858896 878662842 /nfs/dbraw/zinc/66/28/42/878662842.db2.gz HOWKBLDBJLJHPO-ZWKOTPCHSA-N 2 1 387.337 3.866 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177703059 878821530 /nfs/dbraw/zinc/82/15/30/878821530.db2.gz LFZFKTHYTZDTHW-LJQANCHMSA-N 2 1 387.593 3.829 20 0 GHADMP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1Cc1ccccc1 ZINC000789353457 878842145 /nfs/dbraw/zinc/84/21/45/878842145.db2.gz UWYFJGSOMNQPNT-QFIPXVFZSA-N 2 1 392.547 3.590 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000853239559 878923019 /nfs/dbraw/zinc/92/30/19/878923019.db2.gz HWQHOFCPYPCYNC-IEBWSBKVSA-N 2 1 379.589 3.734 20 0 GHADMP CCc1ccc([C@H](CO)[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000538306960 879227059 /nfs/dbraw/zinc/22/70/59/879227059.db2.gz JLBLENQVZHZLJP-YADHBBJMSA-N 2 1 380.532 3.860 20 0 GHADMP CSc1cccc([C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2cc(F)ccc2F)c1 ZINC000493248950 879350588 /nfs/dbraw/zinc/35/05/88/879350588.db2.gz PDRWGLJKLJHCJU-HXUWFJFHSA-N 2 1 392.515 3.822 20 0 GHADMP CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2)ncn1 ZINC000246332900 879405504 /nfs/dbraw/zinc/40/55/04/879405504.db2.gz GHWDSNGYDYFYMW-DYESRHJHSA-N 2 1 390.535 3.853 20 0 GHADMP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246426730 879552284 /nfs/dbraw/zinc/55/22/84/879552284.db2.gz CLBCALMNTQMZHJ-COPCDDAFSA-N 2 1 399.579 3.601 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000246504602 879629473 /nfs/dbraw/zinc/62/94/73/879629473.db2.gz BZUMWTFAELFWBF-OXQOHEQNSA-N 2 1 385.939 3.888 20 0 GHADMP CC(C)[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000246542705 879666208 /nfs/dbraw/zinc/66/62/08/879666208.db2.gz JYUVUPXAZZOEJI-JZWVFAODSA-N 2 1 387.543 3.588 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000531379025 879737558 /nfs/dbraw/zinc/73/75/58/879737558.db2.gz NQCTVFRWWYTYBF-BPUTZDHNSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000531379025 879737570 /nfs/dbraw/zinc/73/75/70/879737570.db2.gz NQCTVFRWWYTYBF-BPUTZDHNSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000531379025 879737582 /nfs/dbraw/zinc/73/75/82/879737582.db2.gz NQCTVFRWWYTYBF-BPUTZDHNSA-N 2 1 375.340 3.538 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)Cc1ccccc1 ZINC000531403978 879769179 /nfs/dbraw/zinc/76/91/79/879769179.db2.gz NEGUIZJQPHLEJX-UHFFFAOYSA-N 2 1 399.966 3.800 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)[C@H](OC)c3ccccc3)cc2)CC1 ZINC000493967662 879786029 /nfs/dbraw/zinc/78/60/29/879786029.db2.gz HNRCNBDTBXKIJI-RDPSFJRHSA-N 2 1 381.564 3.690 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](C)C1 ZINC000538588034 879799147 /nfs/dbraw/zinc/79/91/47/879799147.db2.gz LMNXWLAEXRQNTK-DENIHFKCSA-N 2 1 391.625 3.784 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246823928 879816563 /nfs/dbraw/zinc/81/65/63/879816563.db2.gz NWAGABQCTMBUHD-CFFRYYMNSA-N 2 1 383.580 3.763 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247020594 879888419 /nfs/dbraw/zinc/88/84/19/879888419.db2.gz QICWIEOZPNPDHC-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247020594 879888429 /nfs/dbraw/zinc/88/84/29/879888429.db2.gz QICWIEOZPNPDHC-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247020594 879888438 /nfs/dbraw/zinc/88/84/38/879888438.db2.gz QICWIEOZPNPDHC-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000247064358 879906675 /nfs/dbraw/zinc/90/66/75/879906675.db2.gz OGFADKSCTXXSBS-ZHHKINOHSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247150403 879931445 /nfs/dbraw/zinc/93/14/45/879931445.db2.gz RMJUSDNPWNFIKY-ZFGGDYGUSA-N 2 1 380.580 3.792 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(-n2ccnc2)cc1 ZINC000247222616 879945755 /nfs/dbraw/zinc/94/57/55/879945755.db2.gz XVDAXPOAVJSSIF-VQTJNVASSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(-n2ccnc2)cc1 ZINC000247222616 879945772 /nfs/dbraw/zinc/94/57/72/879945772.db2.gz XVDAXPOAVJSSIF-VQTJNVASSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000247236841 879950176 /nfs/dbraw/zinc/95/01/76/879950176.db2.gz YRNLQJAPWZXOGC-KURKYZTESA-N 2 1 391.987 3.901 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247422739 879995514 /nfs/dbraw/zinc/99/55/14/879995514.db2.gz KTGLKSGJUFAMMY-GUDVDZBRSA-N 2 1 383.536 3.789 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247422739 879995522 /nfs/dbraw/zinc/99/55/22/879995522.db2.gz KTGLKSGJUFAMMY-GUDVDZBRSA-N 2 1 383.536 3.789 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(F)c1 ZINC000531677459 880306543 /nfs/dbraw/zinc/30/65/43/880306543.db2.gz DJSSUDVYSRUKBX-KXBFYZLASA-N 2 1 377.529 3.535 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000531676898 880308155 /nfs/dbraw/zinc/30/81/55/880308155.db2.gz MKVSKNBCVMOSTI-YJBOKZPZSA-N 2 1 386.590 3.997 20 0 GHADMP CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000531684891 880316442 /nfs/dbraw/zinc/31/64/42/880316442.db2.gz FJBYPTYENXBIQR-PBHICJAKSA-N 2 1 382.346 3.630 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2c3cc(Br)ccc3SC[C@@H]2C)CC1 ZINC000531704483 880332236 /nfs/dbraw/zinc/33/22/36/880332236.db2.gz QJQISIIJQDUFPM-SCLBCKFNSA-N 2 1 399.398 3.932 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000453080821 880437751 /nfs/dbraw/zinc/43/77/51/880437751.db2.gz KKJHQCUUKXSNLI-QKLQHJQFSA-N 2 1 390.959 3.642 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000453080821 880437757 /nfs/dbraw/zinc/43/77/57/880437757.db2.gz KKJHQCUUKXSNLI-QKLQHJQFSA-N 2 1 390.959 3.642 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453117057 880489505 /nfs/dbraw/zinc/48/95/05/880489505.db2.gz UNGKNAQGQJSBKQ-ICSRJNTNSA-N 2 1 395.385 3.597 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000531955767 880817329 /nfs/dbraw/zinc/81/73/29/880817329.db2.gz GNZNERKDRXRJOG-LZLYRXPVSA-N 2 1 385.508 3.709 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000531955767 880817342 /nfs/dbraw/zinc/81/73/42/880817342.db2.gz GNZNERKDRXRJOG-LZLYRXPVSA-N 2 1 385.508 3.709 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C34CCC[NH+]3CCC4)cccc2[C@H](c2ccccc2)C1 ZINC001183557804 912625010 /nfs/dbraw/zinc/62/50/10/912625010.db2.gz WDKYOIXRBVNJEW-FQEVSTJZSA-N 2 1 375.516 3.831 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000120096298 881259884 /nfs/dbraw/zinc/25/98/84/881259884.db2.gz JTERWPMWBQIMRD-UWJYYQICSA-N 2 1 391.515 3.745 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1cn(-c2ccccc2)nn1 ZINC000181338443 883140406 /nfs/dbraw/zinc/14/04/06/883140406.db2.gz WJKXJDHNVCRITO-QZTJIDSGSA-N 2 1 379.508 3.620 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000476799569 883183100 /nfs/dbraw/zinc/18/31/00/883183100.db2.gz AEQDKHJSCSTWQS-DENIHFKCSA-N 2 1 386.584 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2cc(N)ccc2F)cc1 ZINC000183150440 883239757 /nfs/dbraw/zinc/23/97/57/883239757.db2.gz VKKUQQDQVCEBKP-AWEZNQCLSA-N 2 1 381.455 3.581 20 0 GHADMP CCN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000135338652 883309606 /nfs/dbraw/zinc/30/96/06/883309606.db2.gz LSQBDDYCFSSHMM-UGKGYDQZSA-N 2 1 386.584 3.585 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC001170467081 883333062 /nfs/dbraw/zinc/33/30/62/883333062.db2.gz FJLSNZSQLXYIFZ-LJQANCHMSA-N 2 1 377.960 3.810 20 0 GHADMP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213426 883665886 /nfs/dbraw/zinc/66/58/86/883665886.db2.gz VDZVVDLPNLKCRX-QGZVFWFLSA-N 2 1 376.504 3.755 20 0 GHADMP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213426 883665888 /nfs/dbraw/zinc/66/58/88/883665888.db2.gz VDZVVDLPNLKCRX-QGZVFWFLSA-N 2 1 376.504 3.755 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000859212998 883665962 /nfs/dbraw/zinc/66/59/62/883665962.db2.gz DJKDNFFLOOJZQE-UPVQGACJSA-N 2 1 382.548 3.635 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000130026942 884076400 /nfs/dbraw/zinc/07/64/00/884076400.db2.gz UGWUINDBBYFCKB-UYAOXDASSA-N 2 1 397.567 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000130026942 884076411 /nfs/dbraw/zinc/07/64/11/884076411.db2.gz UGWUINDBBYFCKB-UYAOXDASSA-N 2 1 397.567 3.909 20 0 GHADMP Cc1cc2cc([NH+]3C=CC(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)C=C3)ccc2[nH]1 ZINC001170495618 884272209 /nfs/dbraw/zinc/27/22/09/884272209.db2.gz AOVSBUJISBKYBG-WWDZGPRUSA-N 2 1 376.504 3.848 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000897943397 884522340 /nfs/dbraw/zinc/52/23/40/884522340.db2.gz QQFKYKIEAUOHCU-RTBURBONSA-N 2 1 397.485 3.555 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)c1 ZINC001126674281 884538519 /nfs/dbraw/zinc/53/85/19/884538519.db2.gz VXOXWZPOWGITNI-DHIUTWEWSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001126674281 884538534 /nfs/dbraw/zinc/53/85/34/884538534.db2.gz VXOXWZPOWGITNI-DHIUTWEWSA-N 2 1 383.580 3.730 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001126674281 884538544 /nfs/dbraw/zinc/53/85/44/884538544.db2.gz VXOXWZPOWGITNI-DHIUTWEWSA-N 2 1 383.580 3.730 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000898102528 884607814 /nfs/dbraw/zinc/60/78/14/884607814.db2.gz VKAQPXQNKIOVED-YFNVTMOMSA-N 2 1 399.579 3.932 20 0 GHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000666284777 884611784 /nfs/dbraw/zinc/61/17/84/884611784.db2.gz FEIZRVMIUICZRJ-NRFANRHFSA-N 2 1 395.547 3.650 20 0 GHADMP O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598465 884990405 /nfs/dbraw/zinc/99/04/05/884990405.db2.gz RPGWJFASBIOKGP-LEWJYISDSA-N 2 1 381.520 3.587 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)CC1 ZINC000130903265 885320865 /nfs/dbraw/zinc/32/08/65/885320865.db2.gz OQXCHTOCVKIIMK-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000130903265 885320884 /nfs/dbraw/zinc/32/08/84/885320884.db2.gz OQXCHTOCVKIIMK-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000130903265 885320906 /nfs/dbraw/zinc/32/09/06/885320906.db2.gz OQXCHTOCVKIIMK-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303018998 885428378 /nfs/dbraw/zinc/42/83/78/885428378.db2.gz OIAUMVFRDBENAC-RPWUZVMVSA-N 2 1 391.559 3.852 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000303045773 885437663 /nfs/dbraw/zinc/43/76/63/885437663.db2.gz UKXUEAJSHXGLSZ-XPNTWCBSSA-N 2 1 385.596 3.773 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C[C@@H](C)O1 ZINC000108363851 885667524 /nfs/dbraw/zinc/66/75/24/885667524.db2.gz YJFVSPSKCMZPMO-HZPDHXFCSA-N 2 1 375.538 3.724 20 0 GHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCc2sccc2C1 ZINC000532471206 885670287 /nfs/dbraw/zinc/67/02/87/885670287.db2.gz UCKPDAZBCUKJSS-DXIQSLLYSA-N 2 1 383.605 3.995 20 0 GHADMP CC(C)[NH+](CCS[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000762204079 885689452 /nfs/dbraw/zinc/68/94/52/885689452.db2.gz PTRMNLITRLNNBI-CTNGQTDRSA-N 2 1 391.625 3.618 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444544 885793009 /nfs/dbraw/zinc/79/30/09/885793009.db2.gz JHKXCXFCUBNMKY-REWPJTCUSA-N 2 1 378.564 3.546 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000498853775 885942708 /nfs/dbraw/zinc/94/27/08/885942708.db2.gz YSRTUGLNTWNXBH-FPOVZHCZSA-N 2 1 394.987 3.661 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000498853777 885942897 /nfs/dbraw/zinc/94/28/97/885942897.db2.gz YSRTUGLNTWNXBH-PZJWPPBQSA-N 2 1 394.987 3.661 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000498853779 885942997 /nfs/dbraw/zinc/94/29/97/885942997.db2.gz YSRTUGLNTWNXBH-TZIWHRDSSA-N 2 1 394.987 3.661 20 0 GHADMP C[C@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537605334 886036412 /nfs/dbraw/zinc/03/64/12/886036412.db2.gz WDGMGGGBRZTNOM-PKOBYXMFSA-N 2 1 399.502 3.533 20 0 GHADMP C[C@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537605334 886036426 /nfs/dbraw/zinc/03/64/26/886036426.db2.gz WDGMGGGBRZTNOM-PKOBYXMFSA-N 2 1 399.502 3.533 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498941494 886156939 /nfs/dbraw/zinc/15/69/39/886156939.db2.gz KCMDIRFGEZMIEK-OFNKIYASSA-N 2 1 379.504 3.744 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000498944760 886163351 /nfs/dbraw/zinc/16/33/51/886163351.db2.gz UGNPDHKIXNEAGA-DNQXCXABSA-N 2 1 380.507 3.988 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000498944760 886163366 /nfs/dbraw/zinc/16/33/66/886163366.db2.gz UGNPDHKIXNEAGA-DNQXCXABSA-N 2 1 380.507 3.988 20 0 GHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCc2ccccc21 ZINC000499024294 886394698 /nfs/dbraw/zinc/39/46/98/886394698.db2.gz NCOIWJDIAJKORG-JOCHJYFZSA-N 2 1 395.572 3.793 20 0 GHADMP COc1ccc(Cl)cc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000915355279 886403808 /nfs/dbraw/zinc/40/38/08/886403808.db2.gz PVOSYRBOPHKPNV-OAQYLSRUSA-N 2 1 387.955 3.817 20 0 GHADMP c1c(CC[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000556892467 886520260 /nfs/dbraw/zinc/52/02/60/886520260.db2.gz NSCBVUNWMKBHJK-BVSLBCMMSA-N 2 1 396.604 3.812 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000073542167 886726433 /nfs/dbraw/zinc/72/64/33/886726433.db2.gz QIOZGWGXACZORX-QFIPXVFZSA-N 2 1 386.584 3.546 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000808756774 886735744 /nfs/dbraw/zinc/73/57/44/886735744.db2.gz WJFSYAUAMKSWHW-UHFFFAOYSA-N 2 1 376.541 3.671 20 0 GHADMP COc1c(C)cnc(CN(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1C ZINC000057613254 886770589 /nfs/dbraw/zinc/77/05/89/886770589.db2.gz MZOIVRYOKXNGPM-QGZVFWFLSA-N 2 1 376.545 3.503 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000644160926 913079221 /nfs/dbraw/zinc/07/92/21/913079221.db2.gz KSZFGCMSJBKVKI-REWPJTCUSA-N 2 1 398.595 3.729 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000465503566 886815326 /nfs/dbraw/zinc/81/53/26/886815326.db2.gz DCORUBCLUZBIFV-FGZHOGPDSA-N 2 1 386.584 3.504 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000237119409 886912847 /nfs/dbraw/zinc/91/28/47/886912847.db2.gz COJGOMLTZXGXHS-ZFWWWQNUSA-N 2 1 384.364 3.990 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000536548899 886988663 /nfs/dbraw/zinc/98/86/63/886988663.db2.gz WGNGXKMVGZQIQH-QHCPKHFHSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000809605512 887617682 /nfs/dbraw/zinc/61/76/82/887617682.db2.gz CZCWSUQYZUBTFK-OAHLLOKOSA-N 2 1 379.346 3.699 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2nc3ccccn3c2Br)C1 ZINC000809605512 887617694 /nfs/dbraw/zinc/61/76/94/887617694.db2.gz CZCWSUQYZUBTFK-OAHLLOKOSA-N 2 1 379.346 3.699 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001184403162 913186514 /nfs/dbraw/zinc/18/65/14/913186514.db2.gz KMZQJFYUHSSTJT-NRFANRHFSA-N 2 1 399.966 3.930 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454268267 887954593 /nfs/dbraw/zinc/95/45/93/887954593.db2.gz PZZDDHOXDMBDNX-IBGZPJMESA-N 2 1 398.595 3.877 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000809963036 888004160 /nfs/dbraw/zinc/00/41/60/888004160.db2.gz JDKSYJNWROVVEH-LWYYNNOASA-N 2 1 381.605 3.980 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000809963036 888004168 /nfs/dbraw/zinc/00/41/68/888004168.db2.gz JDKSYJNWROVVEH-LWYYNNOASA-N 2 1 381.605 3.980 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000809963036 888004181 /nfs/dbraw/zinc/00/41/81/888004181.db2.gz JDKSYJNWROVVEH-LWYYNNOASA-N 2 1 381.605 3.980 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000809954756 888021990 /nfs/dbraw/zinc/02/19/90/888021990.db2.gz FMPHBUQLDQDMSM-LWYYNNOASA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000809954756 888022001 /nfs/dbraw/zinc/02/20/01/888022001.db2.gz FMPHBUQLDQDMSM-LWYYNNOASA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000809954756 888022011 /nfs/dbraw/zinc/02/20/11/888022011.db2.gz FMPHBUQLDQDMSM-LWYYNNOASA-N 2 1 379.589 3.734 20 0 GHADMP Cc1c(Br)cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)cc1Br ZINC001235842330 888087100 /nfs/dbraw/zinc/08/71/00/888087100.db2.gz NXWZKDHWISEVTD-NSHDSACASA-N 2 1 376.136 3.561 20 0 GHADMP Cc1c(Br)cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)cc1Br ZINC001235842330 888087110 /nfs/dbraw/zinc/08/71/10/888087110.db2.gz NXWZKDHWISEVTD-NSHDSACASA-N 2 1 376.136 3.561 20 0 GHADMP CC(C)(C)OC(=O)Nc1cnc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000865408603 888326937 /nfs/dbraw/zinc/32/69/37/888326937.db2.gz ZHQUBPWNYLTMHF-UHFFFAOYSA-N 2 1 397.523 3.709 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)cncc3Cl)cc2)CC1 ZINC000865452810 888360916 /nfs/dbraw/zinc/36/09/16/888360916.db2.gz ODWKUFXQXYIRMG-UHFFFAOYSA-N 2 1 380.319 3.635 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000397959294 888482122 /nfs/dbraw/zinc/48/21/22/888482122.db2.gz CZMGRMDECCKVPT-QFUCXCTJSA-N 2 1 388.939 3.580 20 0 GHADMP O=C(Cc1cncn1Cc1ccccc1)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000810666409 888754448 /nfs/dbraw/zinc/75/44/48/888754448.db2.gz MUULBNBXQHQMCI-HSZRJFAPSA-N 2 1 389.499 3.682 20 0 GHADMP C[NH+]1CCN(C2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)CC1 ZINC000866590144 888954356 /nfs/dbraw/zinc/95/43/56/888954356.db2.gz NEQHDVJTQWLKGG-FQEVSTJZSA-N 2 1 392.385 3.538 20 0 GHADMP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000245667355 889192349 /nfs/dbraw/zinc/19/23/49/889192349.db2.gz DXPOTCCICGTCLS-QUCCMNQESA-N 2 1 392.613 3.504 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)c2cccs2)CC1 ZINC000533039369 889592466 /nfs/dbraw/zinc/59/24/66/889592466.db2.gz RUQZXEWVNJTICN-QFIPXVFZSA-N 2 1 392.572 3.888 20 0 GHADMP Brc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000124525101 889660804 /nfs/dbraw/zinc/66/08/04/889660804.db2.gz IHBWYJDYPBJYNJ-QWHCGFSZSA-N 2 1 388.147 3.928 20 0 GHADMP Brc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000124525101 889660811 /nfs/dbraw/zinc/66/08/11/889660811.db2.gz IHBWYJDYPBJYNJ-QWHCGFSZSA-N 2 1 388.147 3.928 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124526207 889661263 /nfs/dbraw/zinc/66/12/63/889661263.db2.gz HBKNTUDGZMWPED-LBPRGKRZSA-N 2 1 376.136 3.643 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)C2 ZINC001168516712 889677896 /nfs/dbraw/zinc/67/78/96/889677896.db2.gz ARRQCBRTPXXMFS-LJIZCISZSA-N 2 1 391.478 3.532 20 0 GHADMP CCC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000124987624 889839293 /nfs/dbraw/zinc/83/92/93/889839293.db2.gz WWCYNERWSRUTFL-QHCPKHFHSA-N 2 1 395.547 3.978 20 0 GHADMP c1c[nH]c([C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2)n1 ZINC000126192969 890417359 /nfs/dbraw/zinc/41/73/59/890417359.db2.gz UEZAKMGYMLZDOP-HSZRJFAPSA-N 2 1 389.547 3.691 20 0 GHADMP CC1(C)CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000533436995 890561161 /nfs/dbraw/zinc/56/11/61/890561161.db2.gz ABHMPTJUPVFBEB-UHFFFAOYSA-N 2 1 375.582 3.686 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(OC(F)F)cc1 ZINC000126735303 890670047 /nfs/dbraw/zinc/67/00/47/890670047.db2.gz ZBEOTYYLPSHMRV-QGZVFWFLSA-N 2 1 389.490 3.886 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000455450933 890943681 /nfs/dbraw/zinc/94/36/81/890943681.db2.gz YQLYPIKOZQCODE-VGFQSMBLSA-N 2 1 398.595 3.589 20 0 GHADMP CC1CCC2(CC1)OC[C@H](C[NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)O2 ZINC000812842631 891030321 /nfs/dbraw/zinc/03/03/21/891030321.db2.gz NQSSCSWZJVXNHC-PHBIXPCASA-N 2 1 390.543 3.744 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872032027 891125811 /nfs/dbraw/zinc/12/58/11/891125811.db2.gz PGKLQOVMJUJGTK-DKSSEZFCSA-N 2 1 392.341 3.958 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1)C1CC1 ZINC000872156066 891184188 /nfs/dbraw/zinc/18/41/88/891184188.db2.gz DHYDKRKAWHNZRU-UZLBHIALSA-N 2 1 390.597 3.778 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1)C1CC1 ZINC000872156066 891184196 /nfs/dbraw/zinc/18/41/96/891184196.db2.gz DHYDKRKAWHNZRU-UZLBHIALSA-N 2 1 390.597 3.778 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000127941051 891326373 /nfs/dbraw/zinc/32/63/73/891326373.db2.gz BBSMFYOQCISOKP-KNQAVFIVSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000128233149 891493826 /nfs/dbraw/zinc/49/38/26/891493826.db2.gz ZDFADEHPKMGPTF-OAQYLSRUSA-N 2 1 381.564 3.944 20 0 GHADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497506245 891755430 /nfs/dbraw/zinc/75/54/30/891755430.db2.gz CIBZEFOUCMBQAA-YJJAZYOBSA-N 2 1 379.495 3.592 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261626575 892047163 /nfs/dbraw/zinc/04/71/63/892047163.db2.gz AQCXJLVPCGDIRO-NRFANRHFSA-N 2 1 383.923 3.723 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261775005 892108524 /nfs/dbraw/zinc/10/85/24/892108524.db2.gz GYYJXXFUQYIQGS-GOEBONIOSA-N 2 1 391.968 3.635 20 0 GHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)ccn2)c1C ZINC000261947790 892173725 /nfs/dbraw/zinc/17/37/25/892173725.db2.gz NUPUBFPGKVLOBS-NJYVYQBISA-N 2 1 381.520 3.737 20 0 GHADMP CCn1ccnc1C[N@H+](CCOc1c(C)cccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261990710 892189729 /nfs/dbraw/zinc/18/97/29/892189729.db2.gz CUZDFOIEKVISJU-HXUWFJFHSA-N 2 1 382.552 3.543 20 0 GHADMP CCn1ccnc1C[N@@H+](CCOc1c(C)cccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261990710 892189736 /nfs/dbraw/zinc/18/97/36/892189736.db2.gz CUZDFOIEKVISJU-HXUWFJFHSA-N 2 1 382.552 3.543 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000497725200 892277635 /nfs/dbraw/zinc/27/76/35/892277635.db2.gz IUXITGJDZOFMFN-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP C[C@@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709201 892802079 /nfs/dbraw/zinc/80/20/79/892802079.db2.gz GOQVIHADLBXPGO-NFBKMPQASA-N 2 1 379.548 3.841 20 0 GHADMP C[C@@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709201 892802100 /nfs/dbraw/zinc/80/21/00/892802100.db2.gz GOQVIHADLBXPGO-NFBKMPQASA-N 2 1 379.548 3.841 20 0 GHADMP C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713652 892831146 /nfs/dbraw/zinc/83/11/46/892831146.db2.gz UCRJACPCVQYKLA-MHXAIHSWSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713652 892831163 /nfs/dbraw/zinc/83/11/63/892831163.db2.gz UCRJACPCVQYKLA-MHXAIHSWSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713652 892831177 /nfs/dbraw/zinc/83/11/77/892831177.db2.gz UCRJACPCVQYKLA-MHXAIHSWSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718564 892849102 /nfs/dbraw/zinc/84/91/02/892849102.db2.gz NYUJGAVUUIWLGS-XMSQKQJNSA-N 2 1 377.532 3.579 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814676037 893055979 /nfs/dbraw/zinc/05/59/79/893055979.db2.gz YSCMHKAIPQAYQH-VAMGGRTRSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814676037 893056000 /nfs/dbraw/zinc/05/60/00/893056000.db2.gz YSCMHKAIPQAYQH-VAMGGRTRSA-N 2 1 379.589 3.830 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)oc1C ZINC000162721094 893084689 /nfs/dbraw/zinc/08/46/89/893084689.db2.gz JVSGEPURCNYQNJ-UHFFFAOYSA-N 3 1 388.600 3.890 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000465548473 893271178 /nfs/dbraw/zinc/27/11/78/893271178.db2.gz HPUVRVVFVSZNNP-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1C(C)(F)F ZINC000455785633 893272268 /nfs/dbraw/zinc/27/22/68/893272268.db2.gz DULUBPYHIITLSX-INIZCTEOSA-N 2 1 382.499 3.678 20 0 GHADMP c1ccc([C@@H]2C[C@@H](NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000877031300 893445454 /nfs/dbraw/zinc/44/54/54/893445454.db2.gz PMVBMAUBCHNABB-XWGVYQGASA-N 2 1 383.580 3.588 20 0 GHADMP c1oc(-c2ccccc2)nc1CN1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459393249 893449090 /nfs/dbraw/zinc/44/90/90/893449090.db2.gz FIVUGOAPBRRAMX-UHFFFAOYSA-N 2 1 380.536 3.522 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191513129 893629400 /nfs/dbraw/zinc/62/94/00/893629400.db2.gz NWQFNJLMKJLLCO-HNAYVOBHSA-N 2 1 381.358 3.848 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H]1c1cccs1 ZINC000563499093 893829882 /nfs/dbraw/zinc/82/98/82/893829882.db2.gz MEBVDHNQKYDCIT-OXQOHEQNSA-N 2 1 384.549 3.598 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)Cc2cccs2)CC1)CC(C)C ZINC000536885427 894019335 /nfs/dbraw/zinc/01/93/35/894019335.db2.gz KWCGITRSRXBKRG-UHFFFAOYSA-N 2 1 379.614 3.787 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000536959448 894141152 /nfs/dbraw/zinc/14/11/52/894141152.db2.gz MAEWUDNFPQVGBZ-QFIPXVFZSA-N 2 1 395.503 3.853 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000459777801 894179187 /nfs/dbraw/zinc/17/91/87/894179187.db2.gz YPBLJVCHGCKWTF-XZOQPEGZSA-N 2 1 378.495 3.588 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000459763299 894187558 /nfs/dbraw/zinc/18/75/58/894187558.db2.gz YORMUEBIGVAPFG-HSZRJFAPSA-N 2 1 383.580 3.983 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000459763299 894187566 /nfs/dbraw/zinc/18/75/66/894187566.db2.gz YORMUEBIGVAPFG-HSZRJFAPSA-N 2 1 383.580 3.983 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cc2nc3ccc(Br)cc3s2)CC1 ZINC000774881112 913873621 /nfs/dbraw/zinc/87/36/21/913873621.db2.gz POVXRNOKWWTWJA-UHFFFAOYSA-N 2 1 398.370 3.601 20 0 GHADMP O[C@H]1CC[NH+](CC(C[N@@H+]2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722374 894536606 /nfs/dbraw/zinc/53/66/06/894536606.db2.gz FSTCTIAQLCPISK-VXKWHMMOSA-N 2 1 390.612 3.552 20 0 GHADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(Oc2ccccc2)cc1 ZINC000564204125 894718281 /nfs/dbraw/zinc/71/82/81/894718281.db2.gz LWMBYSGIJBWWGE-XVAXZDLZSA-N 2 1 396.531 3.825 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816552109 894938645 /nfs/dbraw/zinc/93/86/45/894938645.db2.gz AWXIHEIZSDXPCL-FRQCXROJSA-N 2 1 393.597 3.976 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816552109 894938654 /nfs/dbraw/zinc/93/86/54/894938654.db2.gz AWXIHEIZSDXPCL-FRQCXROJSA-N 2 1 393.597 3.976 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000816844805 895148387 /nfs/dbraw/zinc/14/83/87/895148387.db2.gz PJJJYCKFRUVYBJ-UHFFFAOYSA-N 2 1 387.612 3.515 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000543763025 913954463 /nfs/dbraw/zinc/95/44/63/913954463.db2.gz XBOUQTOBDJPMIN-BESBDSHLSA-N 2 1 394.538 3.690 20 0 GHADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564929369 895310561 /nfs/dbraw/zinc/31/05/61/895310561.db2.gz PLEWBDUFCDSSCS-WNHJNPCNSA-N 2 1 397.485 3.593 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000564959976 895327437 /nfs/dbraw/zinc/32/74/37/895327437.db2.gz VQORJNJCABXTIQ-XPWALMASSA-N 2 1 394.563 3.910 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000564959976 895327453 /nfs/dbraw/zinc/32/74/53/895327453.db2.gz VQORJNJCABXTIQ-XPWALMASSA-N 2 1 394.563 3.910 20 0 GHADMP Cn1c2ccccc2cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000565165747 895433401 /nfs/dbraw/zinc/43/34/01/895433401.db2.gz REGMIXLWPDNLFZ-UHFFFAOYSA-N 2 1 390.531 3.672 20 0 GHADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135515 895534650 /nfs/dbraw/zinc/53/46/50/895534650.db2.gz WQLXNLAUCWPGLQ-NHCUHLMSSA-N 2 1 379.504 3.976 20 0 GHADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565712705 895829052 /nfs/dbraw/zinc/82/90/52/895829052.db2.gz ARGHXQXDGUQEDD-IEBWSBKVSA-N 2 1 397.485 3.647 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[NH2+]Cc3ccccc3C[N@H+](C)C(C)C)c2cc1C ZINC000566105633 896111261 /nfs/dbraw/zinc/11/12/61/896111261.db2.gz OQNPHJZHLVSWFB-JOCHJYFZSA-N 2 1 394.563 3.644 20 0 GHADMP Cc1cc2ncn(C[C@@H](O)C[NH2+]Cc3ccccc3C[N@H+](C)C(C)C)c2cc1C ZINC000566105634 896111271 /nfs/dbraw/zinc/11/12/71/896111271.db2.gz OQNPHJZHLVSWFB-QFIPXVFZSA-N 2 1 394.563 3.644 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000566106108 896112645 /nfs/dbraw/zinc/11/26/45/896112645.db2.gz GUMPBBLAZIXIKL-IBGZPJMESA-N 2 1 386.561 3.625 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000566106108 896112649 /nfs/dbraw/zinc/11/26/49/896112649.db2.gz GUMPBBLAZIXIKL-IBGZPJMESA-N 2 1 386.561 3.625 20 0 GHADMP [NH3+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000566210948 896173819 /nfs/dbraw/zinc/17/38/19/896173819.db2.gz AJOBVRMNUFMLDA-UNMCSNQZSA-N 2 1 383.511 3.634 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000566388288 896282059 /nfs/dbraw/zinc/28/20/59/896282059.db2.gz LAKKWKGSXSTITG-RDPSFJRHSA-N 2 1 382.548 3.992 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000566388288 896282072 /nfs/dbraw/zinc/28/20/72/896282072.db2.gz LAKKWKGSXSTITG-RDPSFJRHSA-N 2 1 382.548 3.992 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccc(F)cc3F)CC2)cs1 ZINC000819050377 896341971 /nfs/dbraw/zinc/34/19/71/896341971.db2.gz SVXHQWOGCJDVMC-IBGZPJMESA-N 2 1 395.519 3.519 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564828 896380705 /nfs/dbraw/zinc/38/07/05/896380705.db2.gz XAJKCMYSJGCVSH-IBGZPJMESA-N 2 1 385.577 3.863 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564828 896380719 /nfs/dbraw/zinc/38/07/19/896380719.db2.gz XAJKCMYSJGCVSH-IBGZPJMESA-N 2 1 385.577 3.863 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)N(C)c3ccccc3)C2)s1 ZINC000566564828 896380734 /nfs/dbraw/zinc/38/07/34/896380734.db2.gz XAJKCMYSJGCVSH-IBGZPJMESA-N 2 1 385.577 3.863 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000819137373 896394149 /nfs/dbraw/zinc/39/41/49/896394149.db2.gz BRRVJDHMMOVQOF-SIKLNZKXSA-N 2 1 394.563 3.724 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000819137373 896394168 /nfs/dbraw/zinc/39/41/68/896394168.db2.gz BRRVJDHMMOVQOF-SIKLNZKXSA-N 2 1 394.563 3.724 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263055 896987804 /nfs/dbraw/zinc/98/78/04/896987804.db2.gz BXUCHBWRLWFPQH-JTHBVZDNSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263055 896987810 /nfs/dbraw/zinc/98/78/10/896987810.db2.gz BXUCHBWRLWFPQH-JTHBVZDNSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263055 896987815 /nfs/dbraw/zinc/98/78/15/896987815.db2.gz BXUCHBWRLWFPQH-JTHBVZDNSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001170938896 897003108 /nfs/dbraw/zinc/00/31/08/897003108.db2.gz AVXCQEWPTKKAHD-UEVCKROQSA-N 2 1 379.548 3.564 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567586249 897272959 /nfs/dbraw/zinc/27/29/59/897272959.db2.gz NEXFPYOQCWAZTO-DEOSSOPVSA-N 2 1 391.559 3.537 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](c3ccc(F)cc3)C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000883196755 897361022 /nfs/dbraw/zinc/36/10/22/897361022.db2.gz VNWJYOJDQNAQSL-HSZRJFAPSA-N 2 1 398.526 3.959 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000567895294 897475752 /nfs/dbraw/zinc/47/57/52/897475752.db2.gz CAUVOGYDICCZHE-YADHBBJMSA-N 2 1 377.532 3.541 20 0 GHADMP FC(F)(F)CC[NH+]1CCC(Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000883346922 897517756 /nfs/dbraw/zinc/51/77/56/897517756.db2.gz JLUITMVBAXTRDC-FQEVSTJZSA-N 2 1 396.501 3.800 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000567986995 897524488 /nfs/dbraw/zinc/52/44/88/897524488.db2.gz LQJOKCAIKDTMRY-FXAWDEMLSA-N 2 1 375.900 3.713 20 0 GHADMP CSCC[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1nnc2ccccn21 ZINC000820805879 897535084 /nfs/dbraw/zinc/53/50/84/897535084.db2.gz TVJNMPQNWINFMB-QFBILLFUSA-N 2 1 383.565 3.936 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883436336 897581336 /nfs/dbraw/zinc/58/13/36/897581336.db2.gz PZAOZKVFWXQODL-URXFXBBRSA-N 2 1 394.563 3.976 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)C2 ZINC000289475522 914204036 /nfs/dbraw/zinc/20/40/36/914204036.db2.gz JKRCURSWEJDQKW-BJLQDIEVSA-N 2 1 394.563 3.548 20 0 GHADMP CC[C@H](C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000568888246 898190709 /nfs/dbraw/zinc/19/07/09/898190709.db2.gz FVLMMMOCNXBOMZ-OAQYLSRUSA-N 2 1 383.536 3.785 20 0 GHADMP OCC1([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)CC=CC1 ZINC000646083473 914239125 /nfs/dbraw/zinc/23/91/25/914239125.db2.gz YJEIZDSTKBTFSI-XMMPIXPASA-N 2 1 392.543 3.678 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000107372410 898329817 /nfs/dbraw/zinc/32/98/17/898329817.db2.gz TWNWBWYSGWEBAS-DEOSSOPVSA-N 2 1 393.575 3.504 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)C[C@@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000822516621 898448755 /nfs/dbraw/zinc/44/87/55/898448755.db2.gz OBQOAZKDTKOSGY-XMMPIXPASA-N 2 1 381.564 3.557 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000569244840 898462047 /nfs/dbraw/zinc/46/20/47/898462047.db2.gz AJTDZKQOJVFEHT-ZRCGQRJVSA-N 2 1 397.588 3.665 20 0 GHADMP C[NH+](C)CCC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111881826 898838993 /nfs/dbraw/zinc/83/89/93/898838993.db2.gz SOSHZPTWVHKKBC-NOTZXAQLSA-N 2 1 398.595 3.555 20 0 GHADMP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000331462841 898913254 /nfs/dbraw/zinc/91/32/54/898913254.db2.gz ZEZCNDMCRCFBNT-UHFFFAOYSA-N 2 1 392.931 3.502 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)cc1 ZINC000569909178 899019472 /nfs/dbraw/zinc/01/94/72/899019472.db2.gz XFKRAJVIJJRLQH-REWPJTCUSA-N 2 1 393.531 3.912 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CCC[NH+]1CCCCC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823649418 899160043 /nfs/dbraw/zinc/16/00/43/899160043.db2.gz DJZJLIXOCJTPRQ-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cn1 ZINC000823677117 899202944 /nfs/dbraw/zinc/20/29/44/899202944.db2.gz PYLSFYWHUQWIHA-AEFFLSMTSA-N 2 1 399.539 3.701 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823971601 899335837 /nfs/dbraw/zinc/33/58/37/899335837.db2.gz UDSNCWKXIJDFBV-MOPGFXCFSA-N 2 1 397.604 3.501 20 0 GHADMP Cn1c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2cccc(Cl)c21 ZINC000570562443 899392346 /nfs/dbraw/zinc/39/23/46/899392346.db2.gz KNHPXQMDABNETN-UWJYYQICSA-N 2 1 382.895 3.572 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)[C@@H](C)c3ccccc3)CC2)cs1 ZINC000570564014 899394063 /nfs/dbraw/zinc/39/40/63/899394063.db2.gz FHDXYXWMIPXXMZ-LAUBAEHRSA-N 2 1 387.593 3.672 20 0 GHADMP O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000570646633 899468788 /nfs/dbraw/zinc/46/87/88/899468788.db2.gz IIAQXFNCALIYEJ-NJDAHSKKSA-N 2 1 378.520 3.586 20 0 GHADMP O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@H]1CCCN1Cc1ccccc1 ZINC000570646633 899468799 /nfs/dbraw/zinc/46/87/99/899468799.db2.gz IIAQXFNCALIYEJ-NJDAHSKKSA-N 2 1 378.520 3.586 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC001136878236 899608655 /nfs/dbraw/zinc/60/86/55/899608655.db2.gz QXPPGIZBNOJWSC-JOCHJYFZSA-N 2 1 390.531 3.590 20 0 GHADMP FC(F)COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001136935870 899809650 /nfs/dbraw/zinc/80/96/50/899809650.db2.gz XELODJNYPILNAS-IRXDYDNUSA-N 2 1 378.488 3.956 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000571327352 899831008 /nfs/dbraw/zinc/83/10/08/899831008.db2.gz VUWGCNAUGXLYKD-KBPBESRZSA-N 2 1 389.284 3.872 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001143676218 900332077 /nfs/dbraw/zinc/33/20/77/900332077.db2.gz ILECRXWZAPTAFW-IEBWSBKVSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001143676218 900332083 /nfs/dbraw/zinc/33/20/83/900332083.db2.gz ILECRXWZAPTAFW-IEBWSBKVSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001143676218 900332094 /nfs/dbraw/zinc/33/20/94/900332094.db2.gz ILECRXWZAPTAFW-IEBWSBKVSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001143676218 900332098 /nfs/dbraw/zinc/33/20/98/900332098.db2.gz ILECRXWZAPTAFW-IEBWSBKVSA-N 2 1 392.469 3.701 20 0 GHADMP CN(C)c1nccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000573268999 900435544 /nfs/dbraw/zinc/43/55/44/900435544.db2.gz PULOQFKVDZBROD-DTHFOOOUSA-N 2 1 399.970 3.900 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000289950462 914445203 /nfs/dbraw/zinc/44/52/03/914445203.db2.gz PENFWKNOJWLRJP-UYAOXDASSA-N 2 1 388.552 3.812 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000289950462 914445214 /nfs/dbraw/zinc/44/52/14/914445214.db2.gz PENFWKNOJWLRJP-UYAOXDASSA-N 2 1 388.552 3.812 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289950462 914445223 /nfs/dbraw/zinc/44/52/23/914445223.db2.gz PENFWKNOJWLRJP-UYAOXDASSA-N 2 1 388.552 3.812 20 0 GHADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000885967237 900657642 /nfs/dbraw/zinc/65/76/42/900657642.db2.gz KOQDZOIERLGDPX-RBBKRZOGSA-N 2 1 390.568 3.614 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)C1 ZINC001186313411 914464721 /nfs/dbraw/zinc/46/47/21/914464721.db2.gz RURNQFCWJTZBRV-DNQXCXABSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)C1 ZINC001186313411 914464727 /nfs/dbraw/zinc/46/47/27/914464727.db2.gz RURNQFCWJTZBRV-DNQXCXABSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)C1 ZINC001186313411 914464736 /nfs/dbraw/zinc/46/47/36/914464736.db2.gz RURNQFCWJTZBRV-DNQXCXABSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)C1 ZINC001186313411 914464744 /nfs/dbraw/zinc/46/47/44/914464744.db2.gz RURNQFCWJTZBRV-DNQXCXABSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)C1 ZINC001186313411 914464751 /nfs/dbraw/zinc/46/47/51/914464751.db2.gz RURNQFCWJTZBRV-DNQXCXABSA-N 2 1 391.559 3.555 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119133 900701485 /nfs/dbraw/zinc/70/14/85/900701485.db2.gz DJOSEAUSQNOTSH-ACIOBRDBSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119133 900701490 /nfs/dbraw/zinc/70/14/90/900701490.db2.gz DJOSEAUSQNOTSH-ACIOBRDBSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119133 900701494 /nfs/dbraw/zinc/70/14/94/900701494.db2.gz DJOSEAUSQNOTSH-ACIOBRDBSA-N 2 1 388.983 3.878 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000574020639 900743946 /nfs/dbraw/zinc/74/39/46/900743946.db2.gz QPYVPZFLBBUXCP-WOJBJXKFSA-N 2 1 395.551 3.908 20 0 GHADMP C[NH+](C)CCOc1cccc(Nc2cc[nH+]c(CNC(=O)OC(C)(C)C)c2)c1 ZINC001212806013 900765217 /nfs/dbraw/zinc/76/52/17/900765217.db2.gz IEMJVVXMVJEXDU-UHFFFAOYSA-N 2 1 386.496 3.790 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886490131 901070895 /nfs/dbraw/zinc/07/08/95/901070895.db2.gz ZTBGDMGVGZTLKV-FKBYEOEOSA-N 2 1 377.532 3.885 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886490131 901070905 /nfs/dbraw/zinc/07/09/05/901070905.db2.gz ZTBGDMGVGZTLKV-FKBYEOEOSA-N 2 1 377.532 3.885 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886545054 901144719 /nfs/dbraw/zinc/14/47/19/901144719.db2.gz GGBSCHPCGQDSJA-PMVMPFDFSA-N 2 1 393.531 3.667 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000575164077 901148037 /nfs/dbraw/zinc/14/80/37/901148037.db2.gz UTLYVGPZDHUHLJ-IRXDYDNUSA-N 2 1 390.499 3.662 20 0 GHADMP CCC[NH2+][C@@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000646427694 914510969 /nfs/dbraw/zinc/51/09/69/914510969.db2.gz IVSCHEUQGKQKMK-HNNXBMFYSA-N 2 1 385.474 3.516 20 0 GHADMP c1cc2ccc(CN3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)nc2[nH]1 ZINC001144176515 901195528 /nfs/dbraw/zinc/19/55/28/901195528.db2.gz FXENQAIEEIECNN-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)nc2[nH]1 ZINC001144176515 901195535 /nfs/dbraw/zinc/19/55/35/901195535.db2.gz FXENQAIEEIECNN-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)nc2[nH]1 ZINC001144176515 901195541 /nfs/dbraw/zinc/19/55/41/901195541.db2.gz FXENQAIEEIECNN-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)nc2[nH]1 ZINC001144176515 901195549 /nfs/dbraw/zinc/19/55/49/901195549.db2.gz FXENQAIEEIECNN-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2ccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)nc2[nH]1 ZINC001144176515 901195555 /nfs/dbraw/zinc/19/55/55/901195555.db2.gz FXENQAIEEIECNN-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000575375983 901221555 /nfs/dbraw/zinc/22/15/55/901221555.db2.gz HIOWLQUEZDDWGW-FCHUYYIVSA-N 2 1 383.580 3.799 20 0 GHADMP Cc1n[nH]c(C)c1[C@H]1CCC[NH+]1C/C=C/C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091080859 901443004 /nfs/dbraw/zinc/44/30/04/901443004.db2.gz FMBBUPSNPHZVCD-BGEOSOQGSA-N 2 1 382.556 3.897 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844901882 901484859 /nfs/dbraw/zinc/48/48/59/901484859.db2.gz HTVISMQCKNQNJJ-ZWOKBUDYSA-N 2 1 388.943 3.552 20 0 GHADMP O[C@@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)COc1ccc2ccccc2c1 ZINC000575945810 901507529 /nfs/dbraw/zinc/50/75/29/901507529.db2.gz CYMFPUHMZHVUMB-DEOSSOPVSA-N 2 1 390.527 3.618 20 0 GHADMP O[C@@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)COc1ccc2ccccc2c1 ZINC000575945810 901507539 /nfs/dbraw/zinc/50/75/39/901507539.db2.gz CYMFPUHMZHVUMB-DEOSSOPVSA-N 2 1 390.527 3.618 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000290147273 914546759 /nfs/dbraw/zinc/54/67/59/914546759.db2.gz CKMGGASAYJQOBX-HXUWFJFHSA-N 2 1 381.520 3.948 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576000507 901572990 /nfs/dbraw/zinc/57/29/90/901572990.db2.gz CIFCERACIBFRFP-REWPJTCUSA-N 2 1 391.559 3.850 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000576049486 901618403 /nfs/dbraw/zinc/61/84/03/901618403.db2.gz ABFQDRPCDIDYNY-HXUWFJFHSA-N 2 1 376.495 3.836 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3ccc4c(c3)OCCO4)CC23CC3)cc1 ZINC000576106868 901686389 /nfs/dbraw/zinc/68/63/89/901686389.db2.gz ROWLNYDQILJXQP-NRFANRHFSA-N 2 1 378.516 3.787 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccc4c(c3)OCCO4)CC23CC3)cc1 ZINC000576106868 901686396 /nfs/dbraw/zinc/68/63/96/901686396.db2.gz ROWLNYDQILJXQP-NRFANRHFSA-N 2 1 378.516 3.787 20 0 GHADMP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171159766 901748517 /nfs/dbraw/zinc/74/85/17/901748517.db2.gz ZKXXRZIDOASVSW-OAHLLOKOSA-N 2 1 385.335 3.597 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1Br ZINC000646496485 914567977 /nfs/dbraw/zinc/56/79/77/914567977.db2.gz NLKACUOEXZCJHL-QGZVFWFLSA-N 2 1 376.298 3.539 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000576227406 901842251 /nfs/dbraw/zinc/84/22/51/901842251.db2.gz UQWJLLFSJZSHBL-INIZCTEOSA-N 2 1 389.341 3.661 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000123944126 902001858 /nfs/dbraw/zinc/00/18/58/902001858.db2.gz SQVLVZNUJAAXTC-HNNXBMFYSA-N 2 1 378.513 3.532 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000576984434 902409154 /nfs/dbraw/zinc/40/91/54/902409154.db2.gz NBXRVOXDHWYITQ-FQEVSTJZSA-N 2 1 382.504 3.897 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ncn3ccccc13)CC2 ZINC001144618195 902510143 /nfs/dbraw/zinc/51/01/43/902510143.db2.gz JMRIGWSLHLGMCP-SFHVURJKSA-N 2 1 396.560 3.651 20 0 GHADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000577297346 902659210 /nfs/dbraw/zinc/65/92/10/902659210.db2.gz DAPUFTIGGDKEAO-CVDCTZTESA-N 2 1 377.532 3.675 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000846064649 902678884 /nfs/dbraw/zinc/67/88/84/902678884.db2.gz HSIIKKGQSROQLH-PXNSSMCTSA-N 2 1 375.557 3.873 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000846064649 902678892 /nfs/dbraw/zinc/67/88/92/902678892.db2.gz HSIIKKGQSROQLH-PXNSSMCTSA-N 2 1 375.557 3.873 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1SC(F)F ZINC000128610502 902691667 /nfs/dbraw/zinc/69/16/67/902691667.db2.gz HPROXIOUWAMYAH-OAHLLOKOSA-N 2 1 387.540 3.688 20 0 GHADMP c1cc2cccc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2[nH]1 ZINC001144713825 902692157 /nfs/dbraw/zinc/69/21/57/902692157.db2.gz ZODXSGUDYZEPLH-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@@H]2CCC[C@H]21 ZINC000846203025 902787695 /nfs/dbraw/zinc/78/76/95/902787695.db2.gz JUUQSDWQLDAMAA-YSIASYRMSA-N 2 1 391.531 3.813 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000846222327 902798245 /nfs/dbraw/zinc/79/82/45/902798245.db2.gz HIABBZSUKDRRDT-MQSCRBSSSA-N 2 1 393.531 3.510 20 0 GHADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000577512929 902833241 /nfs/dbraw/zinc/83/32/41/902833241.db2.gz ILFVKYUFIHGTBO-QFIPXVFZSA-N 2 1 377.536 3.799 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000577624893 902967109 /nfs/dbraw/zinc/96/71/09/902967109.db2.gz XMSCLCMZEILMIX-REWPJTCUSA-N 2 1 393.575 3.821 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577629592 902974174 /nfs/dbraw/zinc/97/41/74/902974174.db2.gz DKXFPZUMRQUVBV-QUCCMNQESA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577629592 902974183 /nfs/dbraw/zinc/97/41/83/902974183.db2.gz DKXFPZUMRQUVBV-QUCCMNQESA-N 2 1 381.923 3.509 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000779021885 903035979 /nfs/dbraw/zinc/03/59/79/903035979.db2.gz ZTGYNYXTUWVQOO-LEWJYISDSA-N 2 1 398.551 3.964 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C4CC4)C3)cc2)C1 ZINC000601242293 903501663 /nfs/dbraw/zinc/50/16/63/903501663.db2.gz LBIQLPVCABQLEO-YYDVJCTNSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)cc2)C1 ZINC000601242293 903501671 /nfs/dbraw/zinc/50/16/71/903501671.db2.gz LBIQLPVCABQLEO-YYDVJCTNSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)cc2)C1 ZINC000601242293 903501676 /nfs/dbraw/zinc/50/16/76/903501676.db2.gz LBIQLPVCABQLEO-YYDVJCTNSA-N 2 1 398.595 3.543 20 0 GHADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn2cc[nH+]c12 ZINC000578296976 903706730 /nfs/dbraw/zinc/70/67/30/903706730.db2.gz CQINAVQVVCROLU-QAPCUYQASA-N 2 1 383.521 3.909 20 0 GHADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn2cc[nH+]c12 ZINC000578296976 903706742 /nfs/dbraw/zinc/70/67/42/903706742.db2.gz CQINAVQVVCROLU-QAPCUYQASA-N 2 1 383.521 3.909 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC12CCOCC2 ZINC000578506633 903915027 /nfs/dbraw/zinc/91/50/27/903915027.db2.gz TUFQSHJKVRJQAJ-GRUIHPGSSA-N 2 1 392.543 3.966 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCC ZINC000265486699 903921234 /nfs/dbraw/zinc/92/12/34/903921234.db2.gz UGLFTUINUKRCDQ-HXUWFJFHSA-N 2 1 390.568 3.855 20 0 GHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000048745143 904095580 /nfs/dbraw/zinc/09/55/80/904095580.db2.gz NGJWCLDDTHHRAX-MRXNPFEDSA-N 2 1 391.357 3.683 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000048745143 904095597 /nfs/dbraw/zinc/09/55/97/904095597.db2.gz NGJWCLDDTHHRAX-MRXNPFEDSA-N 2 1 391.357 3.683 20 0 GHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000578769290 904106655 /nfs/dbraw/zinc/10/66/55/904106655.db2.gz PMATWKQMHJKWIN-HOTGVXAUSA-N 2 1 378.442 3.917 20 0 GHADMP COC1CC[NH+](C2(CNCc3[nH+]c(C(C)C)n4ccccc34)CCCC2)CC1 ZINC000578874326 904198687 /nfs/dbraw/zinc/19/86/87/904198687.db2.gz ZNUBRHUDLJHHNS-UHFFFAOYSA-N 2 1 384.568 3.971 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000579041158 904309015 /nfs/dbraw/zinc/30/90/15/904309015.db2.gz FQZAXNIEMKVXGG-FQEVSTJZSA-N 2 1 395.547 3.833 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000579230679 904444391 /nfs/dbraw/zinc/44/43/91/904444391.db2.gz RPTJHQZAENUXOS-OAHLLOKOSA-N 2 1 377.941 3.651 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000579230679 904444396 /nfs/dbraw/zinc/44/43/96/904444396.db2.gz RPTJHQZAENUXOS-OAHLLOKOSA-N 2 1 377.941 3.651 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnc(Cl)c3Cl)CC2)oc1C ZINC000290775035 914815700 /nfs/dbraw/zinc/81/57/00/914815700.db2.gz BPHMICAHQPIZQQ-UHFFFAOYSA-N 2 1 383.323 3.995 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631641 904852995 /nfs/dbraw/zinc/85/29/95/904852995.db2.gz LIMOJYDFJDKAAJ-SJLPKXTDSA-N 2 1 379.589 3.969 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)CC1(C)C ZINC001171634781 904921856 /nfs/dbraw/zinc/92/18/56/904921856.db2.gz GPRSUYPAQFJTKL-HSZRJFAPSA-N 2 1 387.543 3.906 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171740198 905026602 /nfs/dbraw/zinc/02/66/02/905026602.db2.gz IIOYKPYEEFGQFF-HCUBDLJJSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171740198 905026620 /nfs/dbraw/zinc/02/66/20/905026620.db2.gz IIOYKPYEEFGQFF-HCUBDLJJSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171740198 905026638 /nfs/dbraw/zinc/02/66/38/905026638.db2.gz IIOYKPYEEFGQFF-HCUBDLJJSA-N 2 1 378.564 3.817 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+]([C@@H]1Cc3cccc(F)c3C1)CC2 ZINC001171800437 905061555 /nfs/dbraw/zinc/06/15/55/905061555.db2.gz VCFPGDWPDQIHHQ-RTBURBONSA-N 2 1 384.495 3.641 20 0 GHADMP CCOC(=O)C1(C)CCC(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001171953191 905158832 /nfs/dbraw/zinc/15/88/32/905158832.db2.gz IFABTMHZPXRCCP-LYGNXSNRSA-N 2 1 390.572 3.612 20 0 GHADMP CC(C)N1CCOC[C@]2(CCC[N@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924037 905177589 /nfs/dbraw/zinc/17/75/89/905177589.db2.gz KAXNLIZMZJTPKL-YABDQXBESA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924037 905177596 /nfs/dbraw/zinc/17/75/96/905177596.db2.gz KAXNLIZMZJTPKL-YABDQXBESA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924037 905177604 /nfs/dbraw/zinc/17/76/04/905177604.db2.gz KAXNLIZMZJTPKL-YABDQXBESA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924037 905177618 /nfs/dbraw/zinc/17/76/18/905177618.db2.gz KAXNLIZMZJTPKL-YABDQXBESA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924037 905177624 /nfs/dbraw/zinc/17/76/24/905177624.db2.gz KAXNLIZMZJTPKL-YABDQXBESA-N 2 1 394.600 3.710 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000173996324 905180959 /nfs/dbraw/zinc/18/09/59/905180959.db2.gz IAYIOZWIJLTRHR-NOTZXAQLSA-N 2 1 398.595 3.555 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000173996324 905180966 /nfs/dbraw/zinc/18/09/66/905180966.db2.gz IAYIOZWIJLTRHR-NOTZXAQLSA-N 2 1 398.595 3.555 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000173996324 905180974 /nfs/dbraw/zinc/18/09/74/905180974.db2.gz IAYIOZWIJLTRHR-NOTZXAQLSA-N 2 1 398.595 3.555 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCCCCCN2C(=O)C=CC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171972028 905216886 /nfs/dbraw/zinc/21/68/86/905216886.db2.gz LTHFKXBIWGEWGG-NRFANRHFSA-N 2 1 397.563 3.505 20 0 GHADMP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974776 905221396 /nfs/dbraw/zinc/22/13/96/905221396.db2.gz AHRWBWSGRCMEGK-JOCHJYFZSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2(c3cnccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977743 905226411 /nfs/dbraw/zinc/22/64/11/905226411.db2.gz DDHFBUISNJWXBK-NRFANRHFSA-N 2 1 394.563 3.558 20 0 GHADMP COCc1cccc([C@@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171979748 905229496 /nfs/dbraw/zinc/22/94/96/905229496.db2.gz QNNWDDBMLRFMOS-DHIUTWEWSA-N 2 1 382.548 3.899 20 0 GHADMP COCc1cccc([C@@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171979748 905229507 /nfs/dbraw/zinc/22/95/07/905229507.db2.gz QNNWDDBMLRFMOS-DHIUTWEWSA-N 2 1 382.548 3.899 20 0 GHADMP CNC(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000174450613 905275089 /nfs/dbraw/zinc/27/50/89/905275089.db2.gz XEDHVAVCGKDCEW-UHFFFAOYSA-N 2 1 377.488 3.561 20 0 GHADMP O=C1NCCCC12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172074283 905280105 /nfs/dbraw/zinc/28/01/05/905280105.db2.gz GXHVAJCPAPHZQB-KOUNCHBCSA-N 2 1 381.564 3.564 20 0 GHADMP O=C(C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCC1 ZINC001172075470 905284320 /nfs/dbraw/zinc/28/43/20/905284320.db2.gz RAWWDYRLGLUFOI-UBRQYEGLSA-N 2 1 395.591 3.907 20 0 GHADMP Cc1cc(N([C@H]2CC[NH2+]C2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC001172089889 905308583 /nfs/dbraw/zinc/30/85/83/905308583.db2.gz SQVWMNBMEBVSEI-BJESRGMDSA-N 2 1 391.563 3.539 20 0 GHADMP [NH3+]C1(c2cccnc2)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065242 905328002 /nfs/dbraw/zinc/32/80/02/905328002.db2.gz JISJZUAZBYYLQC-BKFWDETESA-N 2 1 390.575 3.917 20 0 GHADMP Cc1cc(N2CC[C@@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC001172068204 905335517 /nfs/dbraw/zinc/33/55/17/905335517.db2.gz UROCCHRKYXWCCE-BXXSPATCSA-N 2 1 391.563 3.539 20 0 GHADMP CCC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132830 905345240 /nfs/dbraw/zinc/34/52/40/905345240.db2.gz OOCFQRKHYSZOGB-ZRNYENFQSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132830 905345258 /nfs/dbraw/zinc/34/52/58/905345258.db2.gz OOCFQRKHYSZOGB-ZRNYENFQSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132830 905345275 /nfs/dbraw/zinc/34/52/75/905345275.db2.gz OOCFQRKHYSZOGB-ZRNYENFQSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172132830 905345296 /nfs/dbraw/zinc/34/52/96/905345296.db2.gz OOCFQRKHYSZOGB-ZRNYENFQSA-N 2 1 379.589 3.971 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C4C[C@@H]5COC[C@H](C4)N5C)CC3)C2)cc1 ZINC001172137592 905346489 /nfs/dbraw/zinc/34/64/89/905346489.db2.gz VOALIGXSCMJUQN-CWAQXLGLSA-N 2 1 397.607 3.535 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccccc3C(F)(F)F)CC1)C2 ZINC001172107667 905357119 /nfs/dbraw/zinc/35/71/19/905357119.db2.gz AQVYMLMOXGMVTA-FVQHAEBGSA-N 2 1 381.486 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C2 ZINC001172121835 905380609 /nfs/dbraw/zinc/38/06/09/905380609.db2.gz UAZSNULCOZQOEC-SXUUSABNSA-N 2 1 395.563 3.673 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C2 ZINC001172121835 905380621 /nfs/dbraw/zinc/38/06/21/905380621.db2.gz UAZSNULCOZQOEC-SXUUSABNSA-N 2 1 395.563 3.673 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C2 ZINC001172121835 905380635 /nfs/dbraw/zinc/38/06/35/905380635.db2.gz UAZSNULCOZQOEC-SXUUSABNSA-N 2 1 395.563 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122287 905383182 /nfs/dbraw/zinc/38/31/82/905383182.db2.gz ZAEIDIHGNBDSMO-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122287 905383202 /nfs/dbraw/zinc/38/32/02/905383202.db2.gz ZAEIDIHGNBDSMO-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122287 905383213 /nfs/dbraw/zinc/38/32/13/905383213.db2.gz ZAEIDIHGNBDSMO-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CSc4ccccc4C3)CC[C@@H]21 ZINC001172202448 905399265 /nfs/dbraw/zinc/39/92/65/905399265.db2.gz SODHZRGQDNIYCM-MLNNCEHLSA-N 2 1 396.604 3.773 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CSc4ccccc4C3)CC[C@@H]21 ZINC001172202448 905399290 /nfs/dbraw/zinc/39/92/90/905399290.db2.gz SODHZRGQDNIYCM-MLNNCEHLSA-N 2 1 396.604 3.773 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CSc4ccccc4C3)CC[C@@H]21 ZINC001172202448 905399310 /nfs/dbraw/zinc/39/93/10/905399310.db2.gz SODHZRGQDNIYCM-MLNNCEHLSA-N 2 1 396.604 3.773 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CSc4ccccc4C3)CC[C@@H]21 ZINC001172202448 905399324 /nfs/dbraw/zinc/39/93/24/905399324.db2.gz SODHZRGQDNIYCM-MLNNCEHLSA-N 2 1 396.604 3.773 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001172209450 905407971 /nfs/dbraw/zinc/40/79/71/905407971.db2.gz KKSRBDIAUKDDFW-YQHFOJDRSA-N 2 1 378.944 3.625 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001172255931 905451031 /nfs/dbraw/zinc/45/10/31/905451031.db2.gz OREWKUPATQZHJW-OAQYLSRUSA-N 2 1 380.960 3.822 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001172255931 905451040 /nfs/dbraw/zinc/45/10/40/905451040.db2.gz OREWKUPATQZHJW-OAQYLSRUSA-N 2 1 380.960 3.822 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001172327156 905476353 /nfs/dbraw/zinc/47/63/53/905476353.db2.gz AMCPUZYAOBJVAJ-ONTIZHBOSA-N 2 1 389.584 3.731 20 0 GHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)C[C@@H]1C ZINC001172376694 905487715 /nfs/dbraw/zinc/48/77/15/905487715.db2.gz JSIWRDWIESOOMS-PBWWEPDBSA-N 2 1 378.601 3.791 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001172361556 905528806 /nfs/dbraw/zinc/52/88/06/905528806.db2.gz NZRBQWOUVDFIRM-ZWKOTPCHSA-N 2 1 376.541 3.621 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000175515041 905585971 /nfs/dbraw/zinc/58/59/71/905585971.db2.gz XMXSDWSKEJDUEZ-OAQYLSRUSA-N 2 1 398.551 3.787 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC001172557979 905620144 /nfs/dbraw/zinc/62/01/44/905620144.db2.gz HOTQQXAHYOBMNX-VDLPQLTJSA-N 2 1 393.579 3.788 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC001172557979 905620148 /nfs/dbraw/zinc/62/01/48/905620148.db2.gz HOTQQXAHYOBMNX-VDLPQLTJSA-N 2 1 393.579 3.788 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC[C@@H]21 ZINC001172557979 905620155 /nfs/dbraw/zinc/62/01/55/905620155.db2.gz HOTQQXAHYOBMNX-VDLPQLTJSA-N 2 1 393.579 3.788 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172597056 905658379 /nfs/dbraw/zinc/65/83/79/905658379.db2.gz OMUYHQBCJJWAFB-AEFFLSMTSA-N 2 1 377.504 3.656 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001172806001 905879345 /nfs/dbraw/zinc/87/93/45/905879345.db2.gz FICJCFJLJPKCRJ-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001172806001 905879349 /nfs/dbraw/zinc/87/93/49/905879349.db2.gz FICJCFJLJPKCRJ-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172866315 905882452 /nfs/dbraw/zinc/88/24/52/905882452.db2.gz HFNAMLAYAVLWKV-MRXNPFEDSA-N 2 1 390.934 3.761 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172972707 906036638 /nfs/dbraw/zinc/03/66/38/906036638.db2.gz YLKBVQMKYZHDKL-NRSPTQNISA-N 2 1 387.568 3.696 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172972707 906036655 /nfs/dbraw/zinc/03/66/55/906036655.db2.gz YLKBVQMKYZHDKL-NRSPTQNISA-N 2 1 387.568 3.696 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172972707 906036673 /nfs/dbraw/zinc/03/66/73/906036673.db2.gz YLKBVQMKYZHDKL-NRSPTQNISA-N 2 1 387.568 3.696 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnc(C4CC4)o3)CC2)c1C ZINC000628281030 906038017 /nfs/dbraw/zinc/03/80/17/906038017.db2.gz WJASTONZCNDYLN-UHFFFAOYSA-N 2 1 384.524 3.669 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnc(C4CC4)o3)CC2)c1C ZINC000628281030 906038035 /nfs/dbraw/zinc/03/80/35/906038035.db2.gz WJASTONZCNDYLN-UHFFFAOYSA-N 2 1 384.524 3.669 20 0 GHADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001173248076 906335602 /nfs/dbraw/zinc/33/56/02/906335602.db2.gz TZZZRZFFRRFKNE-CTUHWIOQSA-N 2 1 397.607 3.587 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178698261 906372289 /nfs/dbraw/zinc/37/22/89/906372289.db2.gz AXZNLZMGLSFKCK-ZIAGYGMSSA-N 2 1 382.430 3.853 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000178698254 906372470 /nfs/dbraw/zinc/37/24/70/906372470.db2.gz AXZNLZMGLSFKCK-UONOGXRCSA-N 2 1 382.430 3.853 20 0 GHADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173345087 906385350 /nfs/dbraw/zinc/38/53/50/906385350.db2.gz QXJVMLBGCLGRIS-NRFANRHFSA-N 2 1 385.596 3.704 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC001173418029 906447910 /nfs/dbraw/zinc/44/79/10/906447910.db2.gz JLBHGPJDRNUZSF-UZLBHIALSA-N 2 1 377.960 3.653 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001173446971 906486506 /nfs/dbraw/zinc/48/65/06/906486506.db2.gz YGXAIFRJHHZUGY-FCPXZXNCSA-N 2 1 378.516 3.685 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001173452726 906493150 /nfs/dbraw/zinc/49/31/50/906493150.db2.gz PISKRYHDSGZQCG-IBGZPJMESA-N 2 1 387.568 3.880 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173628590 906578548 /nfs/dbraw/zinc/57/85/48/906578548.db2.gz SPNCAJOSWIKTRN-SSLFQRDQSA-N 2 1 396.575 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173628590 906578554 /nfs/dbraw/zinc/57/85/54/906578554.db2.gz SPNCAJOSWIKTRN-SSLFQRDQSA-N 2 1 396.575 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173628590 906578571 /nfs/dbraw/zinc/57/85/71/906578571.db2.gz SPNCAJOSWIKTRN-SSLFQRDQSA-N 2 1 396.575 3.952 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173668000 906605560 /nfs/dbraw/zinc/60/55/60/906605560.db2.gz ZEASQSICTXQYMA-QAQDUYKDSA-N 2 1 387.465 3.924 20 0 GHADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173675524 906612543 /nfs/dbraw/zinc/61/25/43/906612543.db2.gz YKSZSXJOOUOONU-UHFFFAOYSA-N 2 1 387.465 3.749 20 0 GHADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173675524 906612552 /nfs/dbraw/zinc/61/25/52/906612552.db2.gz YKSZSXJOOUOONU-UHFFFAOYSA-N 2 1 387.465 3.749 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccc(F)c(Cl)c3)CC1)C2 ZINC001173773827 906699645 /nfs/dbraw/zinc/69/96/45/906699645.db2.gz OLELNMZLYIGUIN-NNZMDNLPSA-N 2 1 393.934 3.689 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccc(F)c(Cl)c3)CC1)C2 ZINC001173773827 906699656 /nfs/dbraw/zinc/69/96/56/906699656.db2.gz OLELNMZLYIGUIN-NNZMDNLPSA-N 2 1 393.934 3.689 20 0 GHADMP O=C(c1ccc(F)c(Cl)c1)N1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001173785105 906710093 /nfs/dbraw/zinc/71/00/93/906710093.db2.gz RDTHALQOQPKSLS-UHFFFAOYSA-N 2 1 390.890 3.620 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OCc1cccnc1 ZINC000180734119 906831574 /nfs/dbraw/zinc/83/15/74/906831574.db2.gz DGNXUXJSAXUCFM-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OCc1cccnc1 ZINC000180734119 906831588 /nfs/dbraw/zinc/83/15/88/906831588.db2.gz DGNXUXJSAXUCFM-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCc1cccnc1 ZINC000180734119 906831603 /nfs/dbraw/zinc/83/16/03/906831603.db2.gz DGNXUXJSAXUCFM-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCc1cccnc1 ZINC000180734119 906831616 /nfs/dbraw/zinc/83/16/16/906831616.db2.gz DGNXUXJSAXUCFM-SFTDATJTSA-N 2 1 381.520 3.585 20 0 GHADMP C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@H+](C)CCOCC[NH3+] ZINC000629578618 906875517 /nfs/dbraw/zinc/87/55/17/906875517.db2.gz UHJODZJNJJQCKU-INIZCTEOSA-N 2 1 386.927 3.706 20 0 GHADMP C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000629578618 906875533 /nfs/dbraw/zinc/87/55/33/906875533.db2.gz UHJODZJNJJQCKU-INIZCTEOSA-N 2 1 386.927 3.706 20 0 GHADMP C[C@H](CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CC[NH2+]CC1 ZINC000629601089 906892446 /nfs/dbraw/zinc/89/24/46/906892446.db2.gz FRBWDEUDAKXCOF-GOSISDBHSA-N 2 1 383.536 3.554 20 0 GHADMP C[C@H](CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC[NH2+]CC1 ZINC000629601089 906892459 /nfs/dbraw/zinc/89/24/59/906892459.db2.gz FRBWDEUDAKXCOF-GOSISDBHSA-N 2 1 383.536 3.554 20 0 GHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000629601202 906892625 /nfs/dbraw/zinc/89/26/25/906892625.db2.gz IPJHSCLEOOUVKZ-RBUKOAKNSA-N 2 1 383.536 3.554 20 0 GHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000629601202 906892632 /nfs/dbraw/zinc/89/26/32/906892632.db2.gz IPJHSCLEOOUVKZ-RBUKOAKNSA-N 2 1 383.536 3.554 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CCC1 ZINC000629956662 907071755 /nfs/dbraw/zinc/07/17/55/907071755.db2.gz ACMCEQKEYHLFBV-UHFFFAOYSA-N 2 1 388.515 3.699 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)cc2)CC1 ZINC000181956181 907105379 /nfs/dbraw/zinc/10/53/79/907105379.db2.gz YJVWXBVHYLQCSD-IBGZPJMESA-N 2 1 394.563 3.633 20 0 GHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000182077426 907130046 /nfs/dbraw/zinc/13/00/46/907130046.db2.gz UNRHNFOBZUXMDC-INIZCTEOSA-N 2 1 384.524 3.813 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000182249294 907169642 /nfs/dbraw/zinc/16/96/42/907169642.db2.gz ZDCQJIJGVHHALM-PGRDOPGGSA-N 2 1 396.531 3.655 20 0 GHADMP CCCC[N@H+](CC(=O)NCc1cc(F)cc(F)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984756 907334793 /nfs/dbraw/zinc/33/47/93/907334793.db2.gz SASAOPJZZSMQQC-UHFFFAOYSA-N 2 1 395.538 3.992 20 0 GHADMP CCCC[N@@H+](CC(=O)NCc1cc(F)cc(F)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984756 907334818 /nfs/dbraw/zinc/33/48/18/907334818.db2.gz SASAOPJZZSMQQC-UHFFFAOYSA-N 2 1 395.538 3.992 20 0 GHADMP COCC[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)CC1CC[NH+](C)CC1 ZINC001175202662 907410316 /nfs/dbraw/zinc/41/03/16/907410316.db2.gz GYPYGWHUTGGMAD-UHFFFAOYSA-N 2 1 395.519 3.879 20 0 GHADMP COCC[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)CC1CC[NH+](C)CC1 ZINC001175202662 907410323 /nfs/dbraw/zinc/41/03/23/907410323.db2.gz GYPYGWHUTGGMAD-UHFFFAOYSA-N 2 1 395.519 3.879 20 0 GHADMP COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000631580040 907765346 /nfs/dbraw/zinc/76/53/46/907765346.db2.gz DYRXNOMNMYKCJY-NRFANRHFSA-N 2 1 382.504 3.531 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(OC)c1OC ZINC000631602153 907771596 /nfs/dbraw/zinc/77/15/96/907771596.db2.gz MEPFULHWWQWPHK-SLFFLAALSA-N 2 1 376.541 3.512 20 0 GHADMP CCc1ccc(F)cc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000631658015 907794863 /nfs/dbraw/zinc/79/48/63/907794863.db2.gz IHRBFFYTTYIPIN-UHFFFAOYSA-N 2 1 389.559 3.656 20 0 GHADMP COc1cncc(/C=C/CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972402 907846078 /nfs/dbraw/zinc/84/60/78/907846078.db2.gz AZHLEGKVTXSDET-RSBVPFEDSA-N 2 1 377.532 3.947 20 0 GHADMP COc1cncc(/C=C/CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972402 907846088 /nfs/dbraw/zinc/84/60/88/907846088.db2.gz AZHLEGKVTXSDET-RSBVPFEDSA-N 2 1 377.532 3.947 20 0 GHADMP COc1cncc(/C=C/CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972402 907846103 /nfs/dbraw/zinc/84/61/03/907846103.db2.gz AZHLEGKVTXSDET-RSBVPFEDSA-N 2 1 377.532 3.947 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927398 908020136 /nfs/dbraw/zinc/02/01/36/908020136.db2.gz AQKGBOHEQYNGMJ-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000187026757 908021899 /nfs/dbraw/zinc/02/18/99/908021899.db2.gz SXDMUJCPTSRGDF-SVFBPWRDSA-N 2 1 389.584 3.864 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000187026757 908021908 /nfs/dbraw/zinc/02/19/08/908021908.db2.gz SXDMUJCPTSRGDF-SVFBPWRDSA-N 2 1 389.584 3.864 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(CC)c3ccc(F)cc3)CC2)CC1 ZINC000633793885 908490017 /nfs/dbraw/zinc/49/00/17/908490017.db2.gz KXRNYYXKHFRCIN-QHCPKHFHSA-N 2 1 389.559 3.763 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177626730 908677632 /nfs/dbraw/zinc/67/76/32/908677632.db2.gz RCUKCQCRWFNEGI-FGZHOGPDSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccco1 ZINC001177626730 908677639 /nfs/dbraw/zinc/67/76/39/908677639.db2.gz RCUKCQCRWFNEGI-FGZHOGPDSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177626730 908677651 /nfs/dbraw/zinc/67/76/51/908677651.db2.gz RCUKCQCRWFNEGI-FGZHOGPDSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001177626730 908677658 /nfs/dbraw/zinc/67/76/58/908677658.db2.gz RCUKCQCRWFNEGI-FGZHOGPDSA-N 2 1 395.547 3.661 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001177669071 908688420 /nfs/dbraw/zinc/68/84/20/908688420.db2.gz PBBBAONPPVMOSH-NRFANRHFSA-N 2 1 392.522 3.974 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001177669071 908688431 /nfs/dbraw/zinc/68/84/31/908688431.db2.gz PBBBAONPPVMOSH-NRFANRHFSA-N 2 1 392.522 3.974 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000192732301 908819321 /nfs/dbraw/zinc/81/93/21/908819321.db2.gz GNSHEAIWRIJGIK-NRFANRHFSA-N 2 1 397.567 3.680 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000195177912 908976169 /nfs/dbraw/zinc/97/61/69/908976169.db2.gz GBUJSVCFNFCPLT-SFGWALBWSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000195177912 908976178 /nfs/dbraw/zinc/97/61/78/908976178.db2.gz GBUJSVCFNFCPLT-SFGWALBWSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000195177912 908976194 /nfs/dbraw/zinc/97/61/94/908976194.db2.gz GBUJSVCFNFCPLT-SFGWALBWSA-N 2 1 377.573 3.582 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001178728606 909223001 /nfs/dbraw/zinc/22/30/01/909223001.db2.gz HTLQGCFNYYLJJI-STZQEDGTSA-N 2 1 377.532 3.890 20 0 GHADMP c1ccc(C[N@H+]2CCC3(C2)CCOCC3)c(C[NH+]2CCC3(C2)CCOCC3)c1 ZINC000266605162 909230433 /nfs/dbraw/zinc/23/04/33/909230433.db2.gz FQWAAGBNTMXPIM-UHFFFAOYSA-N 2 1 384.564 3.692 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001179339159 909497033 /nfs/dbraw/zinc/49/70/33/909497033.db2.gz XEZSJJWZJKSMJK-AVRDEDQJSA-N 2 1 390.531 3.943 20 0 GHADMP COc1c(Cl)cccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637907279 910000510 /nfs/dbraw/zinc/00/05/10/910000510.db2.gz LALFUXFPLKVUIZ-UHFFFAOYSA-N 2 1 387.911 3.671 20 0 GHADMP [NH3+]C1(CC(=O)Nc2cccc(OC(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000637908014 910001172 /nfs/dbraw/zinc/00/11/72/910001172.db2.gz XPFGBMBCUUYZBB-UHFFFAOYSA-N 2 1 389.446 3.610 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccn(C(F)F)c2=O)CCN1Cc1ccccc1 ZINC000638065105 910044189 /nfs/dbraw/zinc/04/41/89/910044189.db2.gz QUFCRHZEZAIGLN-QFBILLFUSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000638065105 910044204 /nfs/dbraw/zinc/04/42/04/910044204.db2.gz QUFCRHZEZAIGLN-QFBILLFUSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000638065105 910044212 /nfs/dbraw/zinc/04/42/12/910044212.db2.gz QUFCRHZEZAIGLN-QFBILLFUSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1Cc1ccccc1 ZINC000638065105 910044218 /nfs/dbraw/zinc/04/42/18/910044218.db2.gz QUFCRHZEZAIGLN-QFBILLFUSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268926060 910072058 /nfs/dbraw/zinc/07/20/58/910072058.db2.gz WFIWIAHCTQMKHY-CVDCTZTESA-N 2 1 379.548 3.574 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268926060 910072071 /nfs/dbraw/zinc/07/20/71/910072071.db2.gz WFIWIAHCTQMKHY-CVDCTZTESA-N 2 1 379.548 3.574 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)nc(C)n1 ZINC000269053155 910119990 /nfs/dbraw/zinc/11/99/90/910119990.db2.gz IOZGHYVHKUZKQD-MBSDFSHPSA-N 2 1 393.579 3.562 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)nc(C)n1 ZINC000269053155 910119997 /nfs/dbraw/zinc/11/99/97/910119997.db2.gz IOZGHYVHKUZKQD-MBSDFSHPSA-N 2 1 393.579 3.562 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638628034 910205695 /nfs/dbraw/zinc/20/56/95/910205695.db2.gz JLJFIZHGSASCFU-ISKFKSNPSA-N 2 1 391.559 3.889 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638628034 910205704 /nfs/dbraw/zinc/20/57/04/910205704.db2.gz JLJFIZHGSASCFU-ISKFKSNPSA-N 2 1 391.559 3.889 20 0 GHADMP [NH3+][C@@H](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000638881085 910262596 /nfs/dbraw/zinc/26/25/96/910262596.db2.gz NISMSVHYHKMBEF-SFTDATJTSA-N 2 1 394.563 3.570 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)[C@H]2C1 ZINC000639185966 910345182 /nfs/dbraw/zinc/34/51/82/910345182.db2.gz GQZTXJCDTRQAJV-IOXZRWQCSA-N 2 1 381.564 3.591 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)[C@H]2C1 ZINC000639185966 910345197 /nfs/dbraw/zinc/34/51/97/910345197.db2.gz GQZTXJCDTRQAJV-IOXZRWQCSA-N 2 1 381.564 3.591 20 0 GHADMP CC(C)CN(C(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181494738 910798368 /nfs/dbraw/zinc/79/83/68/910798368.db2.gz MWIPINUUTLFXFK-RECKSLIWSA-N 2 1 383.580 3.796 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC4(CCSCC4)C3)CC2)cc1 ZINC000271450965 910910471 /nfs/dbraw/zinc/91/04/71/910910471.db2.gz DROWHMSQGMGFOL-NRFANRHFSA-N 2 1 392.584 3.867 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001181996060 911117263 /nfs/dbraw/zinc/11/72/63/911117263.db2.gz PYERJHHDKGPUBE-LJQANCHMSA-N 2 1 397.485 3.660 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)C1 ZINC001182034066 911138251 /nfs/dbraw/zinc/13/82/51/911138251.db2.gz SMXHFTQVSAGOQK-SOUXKNCUSA-N 2 1 377.573 3.582 20 0 GHADMP C[N@@H+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC001182036376 911139381 /nfs/dbraw/zinc/13/93/81/911139381.db2.gz AJPUSUOIWFBYPV-DEOSSOPVSA-N 2 1 391.559 3.804 20 0 GHADMP C[N@H+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC001182036376 911139384 /nfs/dbraw/zinc/13/93/84/911139384.db2.gz AJPUSUOIWFBYPV-DEOSSOPVSA-N 2 1 391.559 3.804 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182248288 911341324 /nfs/dbraw/zinc/34/13/24/911341324.db2.gz ZVAHVUBNJXTEBR-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182248288 911341340 /nfs/dbraw/zinc/34/13/40/911341340.db2.gz ZVAHVUBNJXTEBR-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001182248288 911341359 /nfs/dbraw/zinc/34/13/59/911341359.db2.gz ZVAHVUBNJXTEBR-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001182248288 911341377 /nfs/dbraw/zinc/34/13/77/911341377.db2.gz ZVAHVUBNJXTEBR-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N(CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001182345600 911518232 /nfs/dbraw/zinc/51/82/32/911518232.db2.gz LVZZSFJAGANZRE-DNVJHFABSA-N 2 1 385.596 3.962 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1cc(F)ccc1F ZINC000092821564 911839465 /nfs/dbraw/zinc/83/94/65/911839465.db2.gz JLEGYOGWRYTKRS-OAQYLSRUSA-N 2 1 375.463 3.632 20 0 GHADMP C[C@H]1C[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000647249273 915108227 /nfs/dbraw/zinc/10/82/27/915108227.db2.gz OXWMGNSFSAKONP-PQVVKJAFSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1C[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249273 915108237 /nfs/dbraw/zinc/10/82/37/915108237.db2.gz OXWMGNSFSAKONP-PQVVKJAFSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249273 915108244 /nfs/dbraw/zinc/10/82/44/915108244.db2.gz OXWMGNSFSAKONP-PQVVKJAFSA-N 2 1 377.576 3.975 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647479922 915291248 /nfs/dbraw/zinc/29/12/48/915291248.db2.gz YBNPCDMKVBTJRY-OFNKIYASSA-N 2 1 393.531 3.912 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647479922 915291259 /nfs/dbraw/zinc/29/12/59/915291259.db2.gz YBNPCDMKVBTJRY-OFNKIYASSA-N 2 1 393.531 3.912 20 0 GHADMP C[C@H]1[C@@H]([NH+](C)C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000647843829 915411707 /nfs/dbraw/zinc/41/17/07/915411707.db2.gz HOLGUUAFVUJAJH-YJBOKZPZSA-N 2 1 395.576 3.949 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000648151575 915528077 /nfs/dbraw/zinc/52/80/77/915528077.db2.gz RZEFNDUDNBPOFD-UHFFFAOYSA-N 2 1 397.485 3.790 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000648483492 915715351 /nfs/dbraw/zinc/71/53/51/915715351.db2.gz DQIVUECPTHIJIE-CVDCTZTESA-N 2 1 383.580 3.605 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000648758411 915867442 /nfs/dbraw/zinc/86/74/42/915867442.db2.gz SQTCODPVVPNVQI-QGZVFWFLSA-N 2 1 386.565 3.893 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c2cccs2)CC1 ZINC000543777942 915971586 /nfs/dbraw/zinc/97/15/86/915971586.db2.gz YOXLCFUCALBWIB-RTBURBONSA-N 2 1 389.540 3.679 20 0 GHADMP OCC[C@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@H](CCO)C3)c2)C1 ZINC000649286765 916094358 /nfs/dbraw/zinc/09/43/58/916094358.db2.gz XQSMLXKOOHEFDL-RTBURBONSA-N 2 1 394.987 3.529 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362077020 917064623 /nfs/dbraw/zinc/06/46/23/917064623.db2.gz ICOHZFULSBLHPV-PKOBYXMFSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000362077020 917064634 /nfs/dbraw/zinc/06/46/34/917064634.db2.gz ICOHZFULSBLHPV-PKOBYXMFSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707125 917244010 /nfs/dbraw/zinc/24/40/10/917244010.db2.gz YURGLZRZDIDLMG-LDQXTDLNSA-N 2 1 388.943 3.552 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2Cl)C1 ZINC000650724095 917250261 /nfs/dbraw/zinc/25/02/61/917250261.db2.gz YFYDUMUDKWVUQW-OIISXLGYSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2Cl)C1 ZINC000650724095 917250275 /nfs/dbraw/zinc/25/02/75/917250275.db2.gz YFYDUMUDKWVUQW-OIISXLGYSA-N 2 1 387.749 3.963 20 0 GHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362702423 917375942 /nfs/dbraw/zinc/37/59/42/917375942.db2.gz MTLRCKSTYIYRJG-JTDSTZFVSA-N 2 1 385.474 3.604 20 0 GHADMP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC001190652219 917481415 /nfs/dbraw/zinc/48/14/15/917481415.db2.gz XYFRGRAGJRDWJG-HXUWFJFHSA-N 2 1 387.568 3.858 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000652334163 917874097 /nfs/dbraw/zinc/87/40/97/917874097.db2.gz HMOFQPLDYMWPSG-AOMIVXANSA-N 2 1 379.548 3.796 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000652345879 917877262 /nfs/dbraw/zinc/87/72/62/917877262.db2.gz OLWZGUXLMUDVRD-MIZPHKNDSA-N 2 1 393.531 3.510 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000652362487 917882293 /nfs/dbraw/zinc/88/22/93/917882293.db2.gz IKJIBQKNNCEQDR-KURKYZTESA-N 2 1 375.900 3.856 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796568556 918247662 /nfs/dbraw/zinc/24/76/62/918247662.db2.gz BKIZFNKGSQFOTD-UYAOXDASSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796568556 918247680 /nfs/dbraw/zinc/24/76/80/918247680.db2.gz BKIZFNKGSQFOTD-UYAOXDASSA-N 2 1 376.545 3.695 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)ccc1OCc1ccncc1 ZINC000653600588 918345100 /nfs/dbraw/zinc/34/51/00/918345100.db2.gz IFABPSLGYCZYIP-KRWDZBQOSA-N 2 1 380.492 3.686 20 0 GHADMP CC(C)CO[C@@H]1CC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001192175050 918523750 /nfs/dbraw/zinc/52/37/50/918523750.db2.gz WMTHNBVXCYXPQE-OAQYLSRUSA-N 2 1 379.976 3.599 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381788962 919699216 /nfs/dbraw/zinc/69/92/16/919699216.db2.gz JVWQYASMTKPPLT-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCCOc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000364679249 919832878 /nfs/dbraw/zinc/83/28/78/919832878.db2.gz SEPDTDABICXOJB-IBGZPJMESA-N 2 1 399.501 3.576 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902405313 922166910 /nfs/dbraw/zinc/16/69/10/922166910.db2.gz MBSDKGJTGYHXMN-HNNXBMFYSA-N 2 1 376.373 3.677 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cn(C)nn1 ZINC000902739739 922452205 /nfs/dbraw/zinc/45/22/05/922452205.db2.gz MECLBQOGDPBVTN-SFHVURJKSA-N 2 1 375.520 3.929 20 0 GHADMP Fc1ccccc1[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCOCC1 ZINC000903057611 922735100 /nfs/dbraw/zinc/73/51/00/922735100.db2.gz DMMASLUAPRIRBJ-XMMPIXPASA-N 2 1 398.522 3.915 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cs1 ZINC000368577346 922755579 /nfs/dbraw/zinc/75/55/79/922755579.db2.gz VWOMLJMLJRBPET-GDBMZVCRSA-N 2 1 391.503 3.617 20 0 GHADMP C[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccnc1 ZINC000903376558 922973377 /nfs/dbraw/zinc/97/33/77/922973377.db2.gz FJHMHMJGRKHANU-PKTZIBPZSA-N 2 1 378.564 3.861 20 0 GHADMP c1c[nH]c([C@@H]([NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc2)n1 ZINC000903456980 923037987 /nfs/dbraw/zinc/03/79/87/923037987.db2.gz ZLWREOQHTJMFLR-BJESRGMDSA-N 2 1 387.531 3.784 20 0 GHADMP c1c[nH]c([C@@H]([NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c2cccnc2)n1 ZINC000903456980 923038007 /nfs/dbraw/zinc/03/80/07/923038007.db2.gz ZLWREOQHTJMFLR-BJESRGMDSA-N 2 1 387.531 3.784 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000903499829 923075825 /nfs/dbraw/zinc/07/58/25/923075825.db2.gz QUOFBKQFCFSKEG-UKRRQHHQSA-N 2 1 392.956 3.898 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000903499829 923075839 /nfs/dbraw/zinc/07/58/39/923075839.db2.gz QUOFBKQFCFSKEG-UKRRQHHQSA-N 2 1 392.956 3.898 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1c1ccc(Oc2ccccc2)cc1 ZINC000677238018 924295552 /nfs/dbraw/zinc/29/55/52/924295552.db2.gz UVMSGIFJLSQWOM-SVFBPWRDSA-N 2 1 391.515 3.801 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CN1c1ccc(Oc2ccccc2)cc1 ZINC000677238018 924295558 /nfs/dbraw/zinc/29/55/58/924295558.db2.gz UVMSGIFJLSQWOM-SVFBPWRDSA-N 2 1 391.515 3.801 20 0 GHADMP C(CC[NH+]1CC[C@@H](C2CCOCC2)C1)CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371067095 924413815 /nfs/dbraw/zinc/41/38/15/924413815.db2.gz VLQQOOWOJGBRMN-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CC[C@H](C2CCOCC2)C1)CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371067095 924413823 /nfs/dbraw/zinc/41/38/23/924413823.db2.gz VLQQOOWOJGBRMN-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CC[C@H](C2CCOCC2)C1)CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371067095 924413831 /nfs/dbraw/zinc/41/38/31/924413831.db2.gz VLQQOOWOJGBRMN-ZRZAMGCNSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CC[C@@H](C2CCOCC2)C1)CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371067093 924414214 /nfs/dbraw/zinc/41/42/14/924414214.db2.gz VLQQOOWOJGBRMN-DHIUTWEWSA-N 2 1 378.601 3.654 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000371116751 924434061 /nfs/dbraw/zinc/43/40/61/924434061.db2.gz HEWRMDCYTIJVGS-LAUBAEHRSA-N 2 1 395.551 3.615 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806747 924505670 /nfs/dbraw/zinc/50/56/70/924505670.db2.gz MGGTVGGPTVHFJK-WWNPGLIZSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806747 924505675 /nfs/dbraw/zinc/50/56/75/924505675.db2.gz MGGTVGGPTVHFJK-WWNPGLIZSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806747 924505680 /nfs/dbraw/zinc/50/56/80/924505680.db2.gz MGGTVGGPTVHFJK-WWNPGLIZSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806747 924505683 /nfs/dbraw/zinc/50/56/83/924505683.db2.gz MGGTVGGPTVHFJK-WWNPGLIZSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@@H](C)C1 ZINC000677806747 924505688 /nfs/dbraw/zinc/50/56/88/924505688.db2.gz MGGTVGGPTVHFJK-WWNPGLIZSA-N 2 1 387.612 3.766 20 0 GHADMP Cc1noc(C2CCC([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)CC2)n1 ZINC000371447645 924586532 /nfs/dbraw/zinc/58/65/32/924586532.db2.gz MVLPULKCNZBELS-UHFFFAOYSA-N 2 1 386.515 3.840 20 0 GHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC000678127176 924620458 /nfs/dbraw/zinc/62/04/58/924620458.db2.gz KDFJXPCXFVIRNE-JOCHJYFZSA-N 2 1 384.520 3.981 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000678339214 924732721 /nfs/dbraw/zinc/73/27/21/924732721.db2.gz JPBDHXYHTXLFGO-JTHBVZDNSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000678339214 924732727 /nfs/dbraw/zinc/73/27/27/924732727.db2.gz JPBDHXYHTXLFGO-JTHBVZDNSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000678339214 924732739 /nfs/dbraw/zinc/73/27/39/924732739.db2.gz JPBDHXYHTXLFGO-JTHBVZDNSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000678339214 924732744 /nfs/dbraw/zinc/73/27/44/924732744.db2.gz JPBDHXYHTXLFGO-JTHBVZDNSA-N 2 1 387.531 3.754 20 0 GHADMP Cn1cc(-c2nc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)cs2)cn1 ZINC000678464660 924784272 /nfs/dbraw/zinc/78/42/72/924784272.db2.gz JFHSYBGOTKAHLL-UHFFFAOYSA-N 2 1 396.564 3.677 20 0 GHADMP C(C[NH+]1CCC[C@@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637773 924857501 /nfs/dbraw/zinc/85/75/01/924857501.db2.gz CEVDYTOFOOOJLP-BJESRGMDSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678637773 924857510 /nfs/dbraw/zinc/85/75/10/924857510.db2.gz CEVDYTOFOOOJLP-BJESRGMDSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678637773 924857526 /nfs/dbraw/zinc/85/75/26/924857526.db2.gz CEVDYTOFOOOJLP-BJESRGMDSA-N 2 1 378.601 3.654 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](c3ccc(F)cc3)c3ccccn3)CC2)nc(C)[nH+]1 ZINC000371817892 924881324 /nfs/dbraw/zinc/88/13/24/924881324.db2.gz YDBZZLYECOVJJG-HSZRJFAPSA-N 2 1 391.494 3.976 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000678809171 924932867 /nfs/dbraw/zinc/93/28/67/924932867.db2.gz YZSGLSWIXYYWDP-HXUWFJFHSA-N 2 1 390.524 3.674 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000678809171 924932874 /nfs/dbraw/zinc/93/28/74/924932874.db2.gz YZSGLSWIXYYWDP-HXUWFJFHSA-N 2 1 390.524 3.674 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137398912 925378177 /nfs/dbraw/zinc/37/81/77/925378177.db2.gz DBJAUNLLQHCFRZ-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000680271013 925417512 /nfs/dbraw/zinc/41/75/12/925417512.db2.gz UFNRTEUGHCGKDM-RBZQAINGSA-N 2 1 391.559 3.779 20 0 GHADMP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[N@@H+]1Cc1ccccc1 ZINC000680547015 925512481 /nfs/dbraw/zinc/51/24/81/925512481.db2.gz IQKUWNPVHWKMPH-HXUWFJFHSA-N 2 1 383.536 3.858 20 0 GHADMP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC[N@H+]1Cc1ccccc1 ZINC000680547015 925512487 /nfs/dbraw/zinc/51/24/87/925512487.db2.gz IQKUWNPVHWKMPH-HXUWFJFHSA-N 2 1 383.536 3.858 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000410336858 925540358 /nfs/dbraw/zinc/54/03/58/925540358.db2.gz JYPSNCHGMRPQOA-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000410336858 925540361 /nfs/dbraw/zinc/54/03/61/925540361.db2.gz JYPSNCHGMRPQOA-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000410336858 925540363 /nfs/dbraw/zinc/54/03/63/925540363.db2.gz JYPSNCHGMRPQOA-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000410368923 925582801 /nfs/dbraw/zinc/58/28/01/925582801.db2.gz QHTYOJCSKAQQIX-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000410368923 925582810 /nfs/dbraw/zinc/58/28/10/925582810.db2.gz QHTYOJCSKAQQIX-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000410368923 925582818 /nfs/dbraw/zinc/58/28/18/925582818.db2.gz QHTYOJCSKAQQIX-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH+]5C)no3)cc2)C[C@H](C)O1 ZINC000680775818 925603557 /nfs/dbraw/zinc/60/35/57/925603557.db2.gz HQYVLLTXKPAOHH-XEURGTTOSA-N 2 1 396.535 3.686 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)no3)cc2)C[C@H](C)O1 ZINC000680775818 925603561 /nfs/dbraw/zinc/60/35/61/925603561.db2.gz HQYVLLTXKPAOHH-XEURGTTOSA-N 2 1 396.535 3.686 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)cc2)C[C@H](C)O1 ZINC000680775818 925603564 /nfs/dbraw/zinc/60/35/64/925603564.db2.gz HQYVLLTXKPAOHH-XEURGTTOSA-N 2 1 396.535 3.686 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[N@@H+]1C ZINC000411321765 926302276 /nfs/dbraw/zinc/30/22/76/926302276.db2.gz CNCUHNNCXMWLHP-SFGWALBWSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[N@H+]1C ZINC000411321765 926302287 /nfs/dbraw/zinc/30/22/87/926302287.db2.gz CNCUHNNCXMWLHP-SFGWALBWSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[NH+]1C ZINC000411321765 926302297 /nfs/dbraw/zinc/30/22/97/926302297.db2.gz CNCUHNNCXMWLHP-SFGWALBWSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[NH+]1C ZINC000411321765 926302311 /nfs/dbraw/zinc/30/23/11/926302311.db2.gz CNCUHNNCXMWLHP-SFGWALBWSA-N 2 1 385.577 3.758 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000392233436 926404572 /nfs/dbraw/zinc/40/45/72/926404572.db2.gz CFMVHPNOJBXGEF-AQNXPRMDSA-N 2 1 377.573 3.796 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411553142 926508907 /nfs/dbraw/zinc/50/89/07/926508907.db2.gz QTKOAXYSAHYVRY-NQIIRXRSSA-N 2 1 376.504 3.779 20 0 GHADMP COc1ccccc1C[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726071829 926546941 /nfs/dbraw/zinc/54/69/41/926546941.db2.gz KSJVVXBBBAPHOP-OFNKIYASSA-N 2 1 382.548 3.585 20 0 GHADMP COc1ccccc1C[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726071829 926546955 /nfs/dbraw/zinc/54/69/55/926546955.db2.gz KSJVVXBBBAPHOP-OFNKIYASSA-N 2 1 382.548 3.585 20 0 GHADMP COc1ccccc1C[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000726071827 926547283 /nfs/dbraw/zinc/54/72/83/926547283.db2.gz KSJVVXBBBAPHOP-NFBKMPQASA-N 2 1 382.548 3.585 20 0 GHADMP COc1ccccc1C[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000726071827 926547291 /nfs/dbraw/zinc/54/72/91/926547291.db2.gz KSJVVXBBBAPHOP-NFBKMPQASA-N 2 1 382.548 3.585 20 0 GHADMP COc1ccccc1C[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000726071828 926547434 /nfs/dbraw/zinc/54/74/34/926547434.db2.gz KSJVVXBBBAPHOP-NZQKXSOJSA-N 2 1 382.548 3.585 20 0 GHADMP COc1ccccc1C[C@H](C)[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000726071828 926547441 /nfs/dbraw/zinc/54/74/41/926547441.db2.gz KSJVVXBBBAPHOP-NZQKXSOJSA-N 2 1 382.548 3.585 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)c1ccco1 ZINC000411687948 926655860 /nfs/dbraw/zinc/65/58/60/926655860.db2.gz BGIPBQKZFFHVMV-QFIPXVFZSA-N 2 1 395.547 3.908 20 0 GHADMP Cc1nccn1CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374514691 927228028 /nfs/dbraw/zinc/22/80/28/927228028.db2.gz PJWCSHMAGRPODH-NRFANRHFSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374514691 927228039 /nfs/dbraw/zinc/22/80/39/927228039.db2.gz PJWCSHMAGRPODH-NRFANRHFSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374514691 927228050 /nfs/dbraw/zinc/22/80/50/927228050.db2.gz PJWCSHMAGRPODH-NRFANRHFSA-N 2 1 397.567 3.572 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cccc2F)s1 ZINC000750734913 927820419 /nfs/dbraw/zinc/82/04/19/927820419.db2.gz QFZLXLPDAZHBGS-HNNXBMFYSA-N 2 1 377.529 3.529 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000751081948 928020057 /nfs/dbraw/zinc/02/00/57/928020057.db2.gz FRTDVRUGRKWUJC-KOENEWCDSA-N 2 1 398.595 3.747 20 0 GHADMP CCc1c(Cl)nc(C)nc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000751110705 928033957 /nfs/dbraw/zinc/03/39/57/928033957.db2.gz GRTDARWPXXJXHK-UHFFFAOYSA-N 2 1 394.007 3.633 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000751113391 928035911 /nfs/dbraw/zinc/03/59/11/928035911.db2.gz UCCKUOZVBHMWTJ-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000544349201 929080091 /nfs/dbraw/zinc/08/00/91/929080091.db2.gz UKZOGSIERHCDRS-HXUWFJFHSA-N 2 1 376.460 3.684 20 0 GHADMP CC(C)N1CCc2nc(C[N@H+]3CCC[C@@H]3[C@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543993 929183244 /nfs/dbraw/zinc/18/32/44/929183244.db2.gz SIHGUBZUMCODIW-RWQQGDIJSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543993 929183252 /nfs/dbraw/zinc/18/32/52/929183252.db2.gz SIHGUBZUMCODIW-RWQQGDIJSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543993 929183260 /nfs/dbraw/zinc/18/32/60/929183260.db2.gz SIHGUBZUMCODIW-RWQQGDIJSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3[C@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543993 929183266 /nfs/dbraw/zinc/18/32/66/929183266.db2.gz SIHGUBZUMCODIW-RWQQGDIJSA-N 2 1 377.598 3.671 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000758735498 930153282 /nfs/dbraw/zinc/15/32/82/930153282.db2.gz AUVUXTIXUAYASK-PKTZIBPZSA-N 2 1 398.595 3.776 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000759773743 930484682 /nfs/dbraw/zinc/48/46/82/930484682.db2.gz HXKCXMLUAFJRFX-SFHVURJKSA-N 2 1 378.561 3.805 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000759773743 930484683 /nfs/dbraw/zinc/48/46/83/930484683.db2.gz HXKCXMLUAFJRFX-SFHVURJKSA-N 2 1 378.561 3.805 20 0 GHADMP C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780878221 930624400 /nfs/dbraw/zinc/62/44/00/930624400.db2.gz IVSWTZITSWGFHQ-WMQCIHAUSA-N 2 1 387.568 3.790 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470489927 930661923 /nfs/dbraw/zinc/66/19/23/930661923.db2.gz NAWAXAIXAAGXHW-QFIPXVFZSA-N 2 1 388.600 3.659 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000470525596 930683474 /nfs/dbraw/zinc/68/34/74/930683474.db2.gz IZNUXZNKXVPISD-HSZRJFAPSA-N 2 1 379.548 3.632 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000781421818 930837856 /nfs/dbraw/zinc/83/78/56/930837856.db2.gz LQKFYWRFXVSZTR-BHDDXSALSA-N 2 1 399.579 3.744 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(C(F)F)c3)CC2)C[C@H](C)O1 ZINC000470779440 930906333 /nfs/dbraw/zinc/90/63/33/930906333.db2.gz ADERMMYMWWXUMU-CALCHBBNSA-N 2 1 382.495 3.714 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(C(F)F)c3)CC2)C[C@H](C)O1 ZINC000470779440 930906350 /nfs/dbraw/zinc/90/63/50/930906350.db2.gz ADERMMYMWWXUMU-CALCHBBNSA-N 2 1 382.495 3.714 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C(C)(C)[C@H]21 ZINC000693678426 931200773 /nfs/dbraw/zinc/20/07/73/931200773.db2.gz MQGVJMOBRJVKBP-QQXKLLMISA-N 2 1 377.573 3.627 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000782935992 931368410 /nfs/dbraw/zinc/36/84/10/931368410.db2.gz CNSDDWJNXMAQOK-RBUKOAKNSA-N 2 1 385.552 3.648 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000782935992 931368417 /nfs/dbraw/zinc/36/84/17/931368417.db2.gz CNSDDWJNXMAQOK-RBUKOAKNSA-N 2 1 385.552 3.648 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000782935992 931368421 /nfs/dbraw/zinc/36/84/21/931368421.db2.gz CNSDDWJNXMAQOK-RBUKOAKNSA-N 2 1 385.552 3.648 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000783325820 931520635 /nfs/dbraw/zinc/52/06/35/931520635.db2.gz CBEARABIYYJTFG-ZRNYENFQSA-N 2 1 397.604 3.549 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557535059 931525445 /nfs/dbraw/zinc/52/54/45/931525445.db2.gz PHFBVDBTYPJVEH-GVDBMIGSSA-N 2 1 391.522 3.524 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557535059 931525451 /nfs/dbraw/zinc/52/54/51/931525451.db2.gz PHFBVDBTYPJVEH-GVDBMIGSSA-N 2 1 391.522 3.524 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000557535059 931525458 /nfs/dbraw/zinc/52/54/58/931525458.db2.gz PHFBVDBTYPJVEH-GVDBMIGSSA-N 2 1 391.522 3.524 20 0 GHADMP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)n(C)n1 ZINC000925036099 931619871 /nfs/dbraw/zinc/61/98/71/931619871.db2.gz AHRYTNJVNOMCSF-IRLDBZIGSA-N 2 1 399.583 3.546 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H]3Cc3ccccn3)CC2)oc1C ZINC000925038856 931621154 /nfs/dbraw/zinc/62/11/54/931621154.db2.gz WMCRCPSARHETTI-IRLDBZIGSA-N 2 1 382.552 3.899 20 0 GHADMP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000925217045 931705476 /nfs/dbraw/zinc/70/54/76/931705476.db2.gz VSKGUSXJENWUAC-QHCPKHFHSA-N 2 1 378.520 3.533 20 0 GHADMP COc1ccc([C@H]2CCCC[C@@H]2[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1F ZINC000925749186 931891855 /nfs/dbraw/zinc/89/18/55/931891855.db2.gz VEJFPAMHNNVVKB-PBHICJAKSA-N 2 1 375.513 3.834 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000925781664 931901629 /nfs/dbraw/zinc/90/16/29/931901629.db2.gz JFCMIQUKHQRRSG-XIRDDKMYSA-N 2 1 386.458 3.669 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784507254 931917301 /nfs/dbraw/zinc/91/73/01/931917301.db2.gz UOQZOSRYFRUXBA-IPMKNSEASA-N 2 1 376.545 3.597 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784507254 931917308 /nfs/dbraw/zinc/91/73/08/931917308.db2.gz UOQZOSRYFRUXBA-IPMKNSEASA-N 2 1 376.545 3.597 20 0 GHADMP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000925845698 931921157 /nfs/dbraw/zinc/92/11/57/931921157.db2.gz ZZDBPVWMKQTKPL-ZLGUVYLKSA-N 2 1 376.566 3.586 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)no1 ZINC000926124674 932056640 /nfs/dbraw/zinc/05/66/40/932056640.db2.gz IRJAVMXVBUSJES-UWJYYQICSA-N 2 1 377.488 3.759 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)no1 ZINC000926124674 932056647 /nfs/dbraw/zinc/05/66/47/932056647.db2.gz IRJAVMXVBUSJES-UWJYYQICSA-N 2 1 377.488 3.759 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)no1 ZINC000926687775 932272929 /nfs/dbraw/zinc/27/29/29/932272929.db2.gz AQCOZTFHVTUFDG-UTKZUKDTSA-N 2 1 377.488 3.759 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000559268283 932566550 /nfs/dbraw/zinc/56/65/50/932566550.db2.gz ZAQGDJQBLVONGC-PMACEKPBSA-N 2 1 380.573 3.513 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000559282428 932576708 /nfs/dbraw/zinc/57/67/08/932576708.db2.gz SONQTONALFPXOX-QUCCMNQESA-N 2 1 388.556 3.554 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000798271988 932584903 /nfs/dbraw/zinc/58/49/03/932584903.db2.gz VTXZUQJMFQUGFD-JRGCBEDISA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000798271988 932584910 /nfs/dbraw/zinc/58/49/10/932584910.db2.gz VTXZUQJMFQUGFD-JRGCBEDISA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000798406749 932634256 /nfs/dbraw/zinc/63/42/56/932634256.db2.gz WHYPKPGACNJTTJ-CQSZACIVSA-N 2 1 392.425 3.594 20 0 GHADMP CN1c2ccc(C[NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000798498433 932673605 /nfs/dbraw/zinc/67/36/05/932673605.db2.gz SGVJKDBRRFZGKD-DEOSSOPVSA-N 2 1 377.532 3.597 20 0 GHADMP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934456 932821936 /nfs/dbraw/zinc/82/19/36/932821936.db2.gz GHEMBUFVCUGUDO-DVECYGJZSA-N 2 1 395.547 3.914 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957339 932839537 /nfs/dbraw/zinc/83/95/37/932839537.db2.gz UFHQWSZLVFBKHB-UHFFFAOYSA-N 2 1 386.492 3.536 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)CC2)oc1C ZINC000560025995 933023894 /nfs/dbraw/zinc/02/38/94/933023894.db2.gz QEXKZZBEGOCYGK-VQTJNVASSA-N 2 1 385.556 3.553 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H]1Oc1ccccc1 ZINC000560233191 933145733 /nfs/dbraw/zinc/14/57/33/933145733.db2.gz KXRLNQZDJMAYFY-WWNPGLIZSA-N 2 1 380.532 3.589 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000929486683 933455300 /nfs/dbraw/zinc/45/53/00/933455300.db2.gz WRQSEQXCLCGBBJ-DQEYMECFSA-N 2 1 396.575 3.705 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000930059203 933805659 /nfs/dbraw/zinc/80/56/59/933805659.db2.gz AKCOLKZKKSMKAO-XKCSPQBFSA-N 2 1 399.510 3.580 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000930059203 933805664 /nfs/dbraw/zinc/80/56/64/933805664.db2.gz AKCOLKZKKSMKAO-XKCSPQBFSA-N 2 1 399.510 3.580 20 0 GHADMP C[C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000561270181 934005864 /nfs/dbraw/zinc/00/58/64/934005864.db2.gz QQVJTJUKWWIUQD-WMZHIEFXSA-N 2 1 379.548 3.574 20 0 GHADMP C[N@H+](Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)o1)C1CCCCC1 ZINC001117944260 934064419 /nfs/dbraw/zinc/06/44/19/934064419.db2.gz GHTQDRRWLABCLZ-UHFFFAOYSA-N 2 1 390.549 3.737 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)o1)C1CCCCC1 ZINC001117944260 934064431 /nfs/dbraw/zinc/06/44/31/934064431.db2.gz GHTQDRRWLABCLZ-UHFFFAOYSA-N 2 1 390.549 3.737 20 0 GHADMP CN1CC[NH+](CC2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)CC2)CC1 ZINC001120889402 934531472 /nfs/dbraw/zinc/53/14/72/934531472.db2.gz KOCAILAPXJKTMJ-UHFFFAOYSA-N 2 1 392.469 3.717 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121972937 934795773 /nfs/dbraw/zinc/79/57/73/934795773.db2.gz UVDLLMZIRMMEEG-NNWRFLSQSA-N 2 1 383.580 3.573 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC001626111793 1014923016 /nfs/dbraw/zinc/92/30/16/1014923016.db2.gz SHCLSVNNDGYUDQ-LPHOPBHVSA-N 2 1 399.501 3.936 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468114295 1015283230 /nfs/dbraw/zinc/28/32/30/1015283230.db2.gz XJENVTZHQOCCSH-QDSKXPNFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468114295 1015283234 /nfs/dbraw/zinc/28/32/34/1015283234.db2.gz XJENVTZHQOCCSH-QDSKXPNFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000468114295 1015283242 /nfs/dbraw/zinc/28/32/42/1015283242.db2.gz XJENVTZHQOCCSH-QDSKXPNFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000468114295 1015283246 /nfs/dbraw/zinc/28/32/46/1015283246.db2.gz XJENVTZHQOCCSH-QDSKXPNFSA-N 2 1 391.559 3.993 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001226756617 1032115354 /nfs/dbraw/zinc/11/53/54/1032115354.db2.gz QXVSILJPLZVGJC-NRFANRHFSA-N 2 1 392.632 3.987 20 0 GHADMP Cc1cc(Br)cc2cc([C@H]([NH2+]C[C@@]3(O)CC[N@H+](C)C3)C(C)C)oc21 ZINC000545159683 1015596009 /nfs/dbraw/zinc/59/60/09/1015596009.db2.gz YAGTWLQFJCSAPV-MJGOQNOKSA-N 2 1 395.341 3.857 20 0 GHADMP Cc1cc(Br)cc2cc([C@H]([NH2+]C[C@@]3(O)CC[N@@H+](C)C3)C(C)C)oc21 ZINC000545159683 1015596019 /nfs/dbraw/zinc/59/60/19/1015596019.db2.gz YAGTWLQFJCSAPV-MJGOQNOKSA-N 2 1 395.341 3.857 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000468426523 1015696325 /nfs/dbraw/zinc/69/63/25/1015696325.db2.gz DQBOPZZRDDXRKS-BGYRXZFFSA-N 2 1 388.600 3.648 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000468580861 1015819459 /nfs/dbraw/zinc/81/94/59/1015819459.db2.gz VRUHRRPTGFGMOX-JOCHJYFZSA-N 2 1 385.596 3.696 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001221088850 1032279155 /nfs/dbraw/zinc/27/91/55/1032279155.db2.gz YCTBIALKFGNUNM-RTBURBONSA-N 2 1 390.597 3.591 20 0 GHADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001221401283 1032398775 /nfs/dbraw/zinc/39/87/75/1032398775.db2.gz ZLNSGKRCIIXNEN-QHCPKHFHSA-N 2 1 397.522 3.647 20 0 GHADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001221401283 1032398790 /nfs/dbraw/zinc/39/87/90/1032398790.db2.gz ZLNSGKRCIIXNEN-QHCPKHFHSA-N 2 1 397.522 3.647 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@@H](C[NH3+])c1cccc(OC)c1)c1ccccc1 ZINC001221404344 1032399735 /nfs/dbraw/zinc/39/97/35/1032399735.db2.gz HOCIXFSKRCHTFV-VXKWHMMOSA-N 2 1 383.536 3.675 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001221581312 1032469169 /nfs/dbraw/zinc/46/91/69/1032469169.db2.gz VNURGPTUSCJKHO-YADHBBJMSA-N 2 1 386.584 3.696 20 0 GHADMP Cc1sc2ncnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c2c1-c1ccccc1 ZINC001155382900 1032526329 /nfs/dbraw/zinc/52/63/29/1032526329.db2.gz QAYSZYQFXNBHMV-SFHVURJKSA-N 2 1 393.560 3.526 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001221792604 1032536070 /nfs/dbraw/zinc/53/60/70/1032536070.db2.gz ULJAOELYZLPYGL-WOJBJXKFSA-N 2 1 394.991 3.897 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204160222 1032611503 /nfs/dbraw/zinc/61/15/03/1032611503.db2.gz QQAOGUHEXWRZPF-UXHICEINSA-N 2 1 382.470 3.886 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204160222 1032611513 /nfs/dbraw/zinc/61/15/13/1032611513.db2.gz QQAOGUHEXWRZPF-UXHICEINSA-N 2 1 382.470 3.886 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204160222 1032611518 /nfs/dbraw/zinc/61/15/18/1032611518.db2.gz QQAOGUHEXWRZPF-UXHICEINSA-N 2 1 382.470 3.886 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204160222 1032611525 /nfs/dbraw/zinc/61/15/25/1032611525.db2.gz QQAOGUHEXWRZPF-UXHICEINSA-N 2 1 382.470 3.886 20 0 GHADMP CC(C)c1nnc2n1C[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000925786070 1017147880 /nfs/dbraw/zinc/14/78/80/1017147880.db2.gz NOIOZOJEZZECBN-MJLAPFRSSA-N 2 1 393.579 3.892 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)cc3)C2)CC1 ZINC000562516991 1018257916 /nfs/dbraw/zinc/25/79/16/1018257916.db2.gz MYNHJYCAOGAEEE-NRFANRHFSA-N 2 1 383.511 3.830 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221224 1018922074 /nfs/dbraw/zinc/92/20/74/1018922074.db2.gz LNJKYSMULLRTQC-NSHGMRRFSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000568502308 1019413715 /nfs/dbraw/zinc/41/37/15/1019413715.db2.gz PLTFXEYLOVIZJN-WIYYLYMNSA-N 2 1 393.531 3.723 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000568502307 1019414420 /nfs/dbraw/zinc/41/44/20/1019414420.db2.gz PLTFXEYLOVIZJN-RXVVDRJESA-N 2 1 393.531 3.723 20 0 GHADMP O=C(C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000570185204 1019564695 /nfs/dbraw/zinc/56/46/95/1019564695.db2.gz RUTONAOAEYGLGD-JOCHJYFZSA-N 2 1 395.522 3.527 20 0 GHADMP O=C(C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000570185204 1019564707 /nfs/dbraw/zinc/56/47/07/1019564707.db2.gz RUTONAOAEYGLGD-JOCHJYFZSA-N 2 1 395.522 3.527 20 0 GHADMP CC[C@@H](C(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)[N@@H+](C)Cc1ccccc1 ZINC000570369920 1019593268 /nfs/dbraw/zinc/59/32/68/1019593268.db2.gz BVXOFASYIZVVIL-IRLDBZIGSA-N 2 1 394.563 3.754 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000572294005 1019762992 /nfs/dbraw/zinc/76/29/92/1019762992.db2.gz UWKHLAAJCRJBCS-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000572294005 1019763009 /nfs/dbraw/zinc/76/30/09/1019763009.db2.gz UWKHLAAJCRJBCS-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP Fc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001204437782 1032875036 /nfs/dbraw/zinc/87/50/36/1032875036.db2.gz ONZLIHLXELQFKK-WIYYLYMNSA-N 2 1 389.902 3.597 20 0 GHADMP COc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc(C(F)(F)F)c1 ZINC000628188160 1020675744 /nfs/dbraw/zinc/67/57/44/1020675744.db2.gz PSJLYOMSTRKDGK-UHFFFAOYSA-N 2 1 399.501 3.704 20 0 GHADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1cccc(OC)c1OC ZINC000631586287 1020893128 /nfs/dbraw/zinc/89/31/28/1020893128.db2.gz YALLWUYDGFSFOV-IBGZPJMESA-N 2 1 384.524 3.820 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4cc(OC)ccc4c3)CC2)C1 ZINC001204519153 1032945901 /nfs/dbraw/zinc/94/59/01/1032945901.db2.gz WVSPDQDVBQHZGD-OAQYLSRUSA-N 2 1 396.531 3.698 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4cc(OC)ccc4c3)CC2)C1 ZINC001204519153 1032945905 /nfs/dbraw/zinc/94/59/05/1032945905.db2.gz WVSPDQDVBQHZGD-OAQYLSRUSA-N 2 1 396.531 3.698 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccn3C3CC[NH2+]CC3)cc2)C1 ZINC000645502206 1021123902 /nfs/dbraw/zinc/12/39/02/1021123902.db2.gz AVSLEXXZMPRHIY-GOSISDBHSA-N 2 1 380.536 3.897 20 0 GHADMP Nc1ncc(-c2ccccc2C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326330 1021406992 /nfs/dbraw/zinc/40/69/92/1021406992.db2.gz MMPFRNRAZMROKT-NZQKXSOJSA-N 2 1 399.542 3.680 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326330 1021406997 /nfs/dbraw/zinc/40/69/97/1021406997.db2.gz MMPFRNRAZMROKT-NZQKXSOJSA-N 2 1 399.542 3.680 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326330 1021407003 /nfs/dbraw/zinc/40/70/03/1021407003.db2.gz MMPFRNRAZMROKT-NZQKXSOJSA-N 2 1 399.542 3.680 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c(N2CCCC2)[nH+]1 ZINC000679700622 1022039330 /nfs/dbraw/zinc/03/93/30/1022039330.db2.gz OZVQKHKASQHNET-UHFFFAOYSA-N 2 1 378.520 3.516 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1Cl)CC2 ZINC001137423306 1022229889 /nfs/dbraw/zinc/22/98/89/1022229889.db2.gz ATJPSAPMDBBYNC-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742232 1033057845 /nfs/dbraw/zinc/05/78/45/1033057845.db2.gz KVXHBSYKWBYBJT-UHFFFAOYSA-N 2 1 389.927 3.964 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]2CF)CC1 ZINC001140801027 1022568381 /nfs/dbraw/zinc/56/83/81/1022568381.db2.gz FPDMURWDMFJWQM-RHSMWYFYSA-N 2 1 388.487 3.638 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]2CF)CC1 ZINC001140801027 1022568394 /nfs/dbraw/zinc/56/83/94/1022568394.db2.gz FPDMURWDMFJWQM-RHSMWYFYSA-N 2 1 388.487 3.638 20 0 GHADMP CNC(=O)C[C@H]1CC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c2ccccc21 ZINC001140802615 1022571817 /nfs/dbraw/zinc/57/18/17/1022571817.db2.gz AVLFDRDJLWUYIU-KRWDZBQOSA-N 2 1 388.515 3.720 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001140803351 1022573036 /nfs/dbraw/zinc/57/30/36/1022573036.db2.gz OSABBSLHPDKWAG-PKTZIBPZSA-N 2 1 392.503 3.546 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001140803351 1022573043 /nfs/dbraw/zinc/57/30/43/1022573043.db2.gz OSABBSLHPDKWAG-PKTZIBPZSA-N 2 1 392.503 3.546 20 0 GHADMP Clc1cccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c1Cl ZINC001204756087 1033069067 /nfs/dbraw/zinc/06/90/67/1033069067.db2.gz LGZMYZVAIUWVAF-UHFFFAOYSA-N 2 1 376.331 3.961 20 0 GHADMP CC(C)[NH+]1CCC(CNc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001156501427 1033070365 /nfs/dbraw/zinc/07/03/65/1033070365.db2.gz PTYDBHRGRKLVOC-UHFFFAOYSA-N 2 1 387.528 3.510 20 0 GHADMP Fc1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)c(F)c1Cl ZINC001204762720 1033077124 /nfs/dbraw/zinc/07/71/24/1033077124.db2.gz BHZLQLGWLNTVFS-UHFFFAOYSA-N 2 1 383.895 3.648 20 0 GHADMP Fc1ccc(N2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)c(F)c1Cl ZINC001204764393 1033077161 /nfs/dbraw/zinc/07/71/61/1033077161.db2.gz YZUYPZLCLWKVHG-UHFFFAOYSA-N 2 1 377.866 3.586 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000754675108 1022824868 /nfs/dbraw/zinc/82/48/68/1022824868.db2.gz PAPGUQTWLPYQRU-LJQANCHMSA-N 2 1 385.577 3.750 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C ZINC001204784186 1033088947 /nfs/dbraw/zinc/08/89/47/1033088947.db2.gz OWQRHDQEPLBTBS-IBGZPJMESA-N 2 1 375.557 3.896 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C ZINC001204784186 1033088961 /nfs/dbraw/zinc/08/89/61/1033088961.db2.gz OWQRHDQEPLBTBS-IBGZPJMESA-N 2 1 375.557 3.896 20 0 GHADMP CCN(Cc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140971044 1023041144 /nfs/dbraw/zinc/04/11/44/1023041144.db2.gz DYEQMJKQORGLBQ-XMMPIXPASA-N 2 1 392.591 3.535 20 0 GHADMP CC[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001140971044 1023041157 /nfs/dbraw/zinc/04/11/57/1023041157.db2.gz DYEQMJKQORGLBQ-XMMPIXPASA-N 2 1 392.591 3.535 20 0 GHADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001140971044 1023041168 /nfs/dbraw/zinc/04/11/68/1023041168.db2.gz DYEQMJKQORGLBQ-XMMPIXPASA-N 2 1 392.591 3.535 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001228808115 1033110017 /nfs/dbraw/zinc/11/00/17/1033110017.db2.gz ZDDMKJSUWZRRTA-PZJWPPBQSA-N 2 1 378.605 3.593 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001141018855 1023220964 /nfs/dbraw/zinc/22/09/64/1023220964.db2.gz NJESDHKUJJUXLJ-SJORKVTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001141018855 1023220971 /nfs/dbraw/zinc/22/09/71/1023220971.db2.gz NJESDHKUJJUXLJ-SJORKVTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001141018855 1023220984 /nfs/dbraw/zinc/22/09/84/1023220984.db2.gz NJESDHKUJJUXLJ-SJORKVTESA-N 2 1 378.442 3.773 20 0 GHADMP COc1cc(OCc2ccccc2)ccc1-c1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001204889863 1033146818 /nfs/dbraw/zinc/14/68/18/1033146818.db2.gz MYUHRCYCXOHRES-UHFFFAOYSA-N 2 1 375.472 3.746 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC001204938895 1033177782 /nfs/dbraw/zinc/17/77/82/1033177782.db2.gz UNHGWTROBYZHNI-BVYCBKJFSA-N 2 1 381.520 3.500 20 0 GHADMP CCc1ccccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001141226695 1024201604 /nfs/dbraw/zinc/20/16/04/1024201604.db2.gz IQPRMRIHPFSTCP-UHFFFAOYSA-N 2 1 379.548 3.759 20 0 GHADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001141263710 1024329037 /nfs/dbraw/zinc/32/90/37/1024329037.db2.gz DYWIAKWENZUMFL-ZTCOLXNVSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001141263710 1024329054 /nfs/dbraw/zinc/32/90/54/1024329054.db2.gz DYWIAKWENZUMFL-ZTCOLXNVSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001141263710 1024329066 /nfs/dbraw/zinc/32/90/66/1024329066.db2.gz DYWIAKWENZUMFL-ZTCOLXNVSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001141263710 1024329080 /nfs/dbraw/zinc/32/90/80/1024329080.db2.gz DYWIAKWENZUMFL-ZTCOLXNVSA-N 2 1 378.564 3.880 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC001138273916 1024521511 /nfs/dbraw/zinc/52/15/11/1024521511.db2.gz GTKCIGXHSUVFAZ-UHFFFAOYSA-N 2 1 386.487 3.941 20 0 GHADMP Cc1cnccc1O[C@H]1CC[N@H+](Cc2ncccc2NC(=O)OC(C)(C)C)C1 ZINC001138411743 1024796178 /nfs/dbraw/zinc/79/61/78/1024796178.db2.gz SHGWLSPJVXEJFE-INIZCTEOSA-N 2 1 384.480 3.785 20 0 GHADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ncccc2NC(=O)OC(C)(C)C)C1 ZINC001138411743 1024796193 /nfs/dbraw/zinc/79/61/93/1024796193.db2.gz SHGWLSPJVXEJFE-INIZCTEOSA-N 2 1 384.480 3.785 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001138524546 1024964212 /nfs/dbraw/zinc/96/42/12/1024964212.db2.gz OKKKHZJIGAJBEE-DENIHFKCSA-N 2 1 385.577 3.819 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001138524546 1024964219 /nfs/dbraw/zinc/96/42/19/1024964219.db2.gz OKKKHZJIGAJBEE-DENIHFKCSA-N 2 1 385.577 3.819 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001138524546 1024964223 /nfs/dbraw/zinc/96/42/23/1024964223.db2.gz OKKKHZJIGAJBEE-DENIHFKCSA-N 2 1 385.577 3.819 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)s1 ZINC001138526323 1024965499 /nfs/dbraw/zinc/96/54/99/1024965499.db2.gz SHHBDGOUBIOXSK-NHCUHLMSSA-N 2 1 389.609 3.608 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138545063 1024989482 /nfs/dbraw/zinc/98/94/82/1024989482.db2.gz QXFYMFALDAHZFE-LJQANCHMSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138545063 1024989483 /nfs/dbraw/zinc/98/94/83/1024989483.db2.gz QXFYMFALDAHZFE-LJQANCHMSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138546996 1024992631 /nfs/dbraw/zinc/99/26/31/1024992631.db2.gz ADTHNDYDPGWBPO-IBGZPJMESA-N 2 1 384.524 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC001138546996 1024992637 /nfs/dbraw/zinc/99/26/37/1024992637.db2.gz ADTHNDYDPGWBPO-IBGZPJMESA-N 2 1 384.524 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)cc1 ZINC001138547168 1024993450 /nfs/dbraw/zinc/99/34/50/1024993450.db2.gz GRIDZKPXOMZTDD-HNNXBMFYSA-N 2 1 391.397 3.962 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)cc1 ZINC001138547168 1024993456 /nfs/dbraw/zinc/99/34/56/1024993456.db2.gz GRIDZKPXOMZTDD-HNNXBMFYSA-N 2 1 391.397 3.962 20 0 GHADMP COc1cc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)ccn1 ZINC001138551519 1025004269 /nfs/dbraw/zinc/00/42/69/1025004269.db2.gz JUGWRVSOIFRBQN-UHFFFAOYSA-N 2 1 378.476 3.628 20 0 GHADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001141428770 1025021475 /nfs/dbraw/zinc/02/14/75/1025021475.db2.gz UAXBUGOVHRFUDN-MOPGFXCFSA-N 2 1 390.453 3.758 20 0 GHADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001141428770 1025021485 /nfs/dbraw/zinc/02/14/85/1025021485.db2.gz UAXBUGOVHRFUDN-MOPGFXCFSA-N 2 1 390.453 3.758 20 0 GHADMP Cc1nc(C(F)(F)F)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001141428770 1025021495 /nfs/dbraw/zinc/02/14/95/1025021495.db2.gz UAXBUGOVHRFUDN-MOPGFXCFSA-N 2 1 390.453 3.758 20 0 GHADMP Cc1nc(C(F)(F)F)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001141428770 1025021497 /nfs/dbraw/zinc/02/14/97/1025021497.db2.gz UAXBUGOVHRFUDN-MOPGFXCFSA-N 2 1 390.453 3.758 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001141460068 1025117526 /nfs/dbraw/zinc/11/75/26/1025117526.db2.gz HOKFNGRQJGOIAD-UHFFFAOYSA-N 2 1 380.414 3.577 20 0 GHADMP Cc1ccc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)ccc2n1 ZINC001141478553 1025186081 /nfs/dbraw/zinc/18/60/81/1025186081.db2.gz FSNOAGMRRAKPKV-UHFFFAOYSA-N 2 1 389.547 3.784 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772789 1025342797 /nfs/dbraw/zinc/34/27/97/1025342797.db2.gz BYBVPDBGGXCFFW-MJGOQNOKSA-N 2 1 391.556 3.505 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)cc1 ZINC001138772825 1025343985 /nfs/dbraw/zinc/34/39/85/1025343985.db2.gz FLIQBFUVJPWFOL-JBACZVJFSA-N 2 1 388.552 3.569 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cnc3ccccc3n1)CC2 ZINC001138864087 1025487265 /nfs/dbraw/zinc/48/72/65/1025487265.db2.gz IXLQKUQAPLQGHT-UHFFFAOYSA-N 2 1 387.531 3.901 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Br)cnc2Cl)CC1 ZINC001138941835 1025621633 /nfs/dbraw/zinc/62/16/33/1025621633.db2.gz LAWYMABCKKOLRR-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC001141630383 1025958645 /nfs/dbraw/zinc/95/86/45/1025958645.db2.gz PPASTLZSNSTZGO-WMZHIEFXSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC001141630383 1025958651 /nfs/dbraw/zinc/95/86/51/1025958651.db2.gz PPASTLZSNSTZGO-WMZHIEFXSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC001141630383 1025958657 /nfs/dbraw/zinc/95/86/57/1025958657.db2.gz PPASTLZSNSTZGO-WMZHIEFXSA-N 2 1 383.580 3.942 20 0 GHADMP COc1cccc(F)c1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162936012 1025973701 /nfs/dbraw/zinc/97/37/01/1025973701.db2.gz YXKCPAXOMJMNDD-IBGZPJMESA-N 2 1 383.511 3.748 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cccc4cnncc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940416 1025976475 /nfs/dbraw/zinc/97/64/75/1025976475.db2.gz DEWIMASWTOMVPU-NRFANRHFSA-N 2 1 387.531 3.544 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccc(F)cc3F)cc2)CC1 ZINC001461049194 1069360881 /nfs/dbraw/zinc/36/08/81/1069360881.db2.gz GZISAPAVLXPHEU-ONEGZZNKSA-N 2 1 385.502 3.905 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000839550835 1026048947 /nfs/dbraw/zinc/04/89/47/1026048947.db2.gz IOHSKTTXWSGCBW-IPMKNSEASA-N 2 1 379.589 3.876 20 0 GHADMP Brc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc2c1OCCCO2 ZINC001461067787 1069373935 /nfs/dbraw/zinc/37/39/35/1069373935.db2.gz QOHLCAOLVVDNBO-UHFFFAOYSA-N 2 1 395.341 3.574 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC001139357002 1026229510 /nfs/dbraw/zinc/22/95/10/1026229510.db2.gz WRGHXHSCSBIMLZ-GOSISDBHSA-N 2 1 382.508 3.561 20 0 GHADMP CN1C(=O)CCC12CCC(Nc1ccc3c(c1)[nH+]cn3[C@H]1CCC[NH2+]CC1)CC2 ZINC001163596352 1026245398 /nfs/dbraw/zinc/24/53/98/1026245398.db2.gz UDFXFJXSKNCUHU-YZOUICBYSA-N 2 1 395.551 3.696 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CCN(Cc2c(Cl)ccnc2Cl)CC3)cn1 ZINC001139479187 1026341527 /nfs/dbraw/zinc/34/15/27/1026341527.db2.gz LSFHEDOPWWCQCY-UHFFFAOYSA-N 2 1 394.350 3.753 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cnc1Cl ZINC001139543436 1026406945 /nfs/dbraw/zinc/40/69/45/1026406945.db2.gz BIEGDUBZUZZKDW-SFHVURJKSA-N 2 1 389.927 3.892 20 0 GHADMP C[NH+](C)C1(CNc2ccc(OC(F)(F)F)c3ncccc23)CC[NH+](C)CC1 ZINC001164217607 1026455272 /nfs/dbraw/zinc/45/52/72/1026455272.db2.gz YOGKBGHOEORRGF-UHFFFAOYSA-N 2 1 382.430 3.571 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1CC ZINC001139620574 1026488184 /nfs/dbraw/zinc/48/81/84/1026488184.db2.gz WYTMNACITDJPDQ-UPVQGACJSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1CC ZINC001139620574 1026488185 /nfs/dbraw/zinc/48/81/85/1026488185.db2.gz WYTMNACITDJPDQ-UPVQGACJSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc1CC ZINC001139620574 1026488190 /nfs/dbraw/zinc/48/81/90/1026488190.db2.gz WYTMNACITDJPDQ-UPVQGACJSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cc1CC ZINC001139620574 1026488193 /nfs/dbraw/zinc/48/81/93/1026488193.db2.gz WYTMNACITDJPDQ-UPVQGACJSA-N 2 1 386.580 3.828 20 0 GHADMP Nc1[nH+]ccn1Cc1ccccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001164499208 1026535779 /nfs/dbraw/zinc/53/57/79/1026535779.db2.gz MSABROBBDBJNCT-KJXAQDMKSA-N 2 1 387.531 3.836 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]3C[NH+](C)C)c2c1C ZINC001165076003 1026589549 /nfs/dbraw/zinc/58/95/49/1026589549.db2.gz FURXODYRTNZPKY-KRWDZBQOSA-N 2 1 387.597 3.824 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1 ZINC001165169061 1026645361 /nfs/dbraw/zinc/64/53/61/1026645361.db2.gz OLTGPPCBNXVMJM-OYRHQHFDSA-N 2 1 390.575 3.996 20 0 GHADMP Fc1ccc(O[C@H]2CC[NH2+]C2)c(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001165213466 1026669555 /nfs/dbraw/zinc/66/95/55/1026669555.db2.gz CPDUMOZXMPTGNB-FQEVSTJZSA-N 2 1 397.494 3.631 20 0 GHADMP COc1cc2c[nH+]c(N3CCC4(CC[NH2+]CC4)[C@H]3C(F)(F)F)cc2cc1OC ZINC001165270837 1026687778 /nfs/dbraw/zinc/68/77/78/1026687778.db2.gz PVFWGXUQUUFQMK-SFHVURJKSA-N 2 1 395.425 3.763 20 0 GHADMP CCCCc1oc2ccccc2c1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001461146003 1069412811 /nfs/dbraw/zinc/41/28/11/1069412811.db2.gz MVEOHTSTEVRHOO-UHFFFAOYSA-N 2 1 385.552 3.808 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)n1)CC2 ZINC001140131646 1026907936 /nfs/dbraw/zinc/90/79/36/1026907936.db2.gz YADFDGIODASWES-KRWDZBQOSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)n1)CC2 ZINC001140131646 1026907937 /nfs/dbraw/zinc/90/79/37/1026907937.db2.gz YADFDGIODASWES-KRWDZBQOSA-N 2 1 375.513 3.538 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171684 1069424406 /nfs/dbraw/zinc/42/44/06/1069424406.db2.gz OSBMRNCOFKWTFY-HUUCEWRRSA-N 2 1 381.483 3.542 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001209774271 1027180295 /nfs/dbraw/zinc/18/02/95/1027180295.db2.gz JIMQRWUNUGKRDG-FQEVSTJZSA-N 2 1 383.536 3.601 20 0 GHADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209777851 1027186227 /nfs/dbraw/zinc/18/62/27/1027186227.db2.gz KPFOZKOFPDALQN-APTRMMRNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209777851 1027186237 /nfs/dbraw/zinc/18/62/37/1027186237.db2.gz KPFOZKOFPDALQN-APTRMMRNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209777851 1027186251 /nfs/dbraw/zinc/18/62/51/1027186251.db2.gz KPFOZKOFPDALQN-APTRMMRNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209777851 1027186261 /nfs/dbraw/zinc/18/62/61/1027186261.db2.gz KPFOZKOFPDALQN-APTRMMRNSA-N 2 1 378.564 3.880 20 0 GHADMP COc1ncc(Br)cc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC001461230752 1069453025 /nfs/dbraw/zinc/45/30/25/1069453025.db2.gz KHEBAHAFUKYKJZ-UHFFFAOYSA-N 2 1 392.341 3.983 20 0 GHADMP COc1ncc(Br)cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001461230752 1069453027 /nfs/dbraw/zinc/45/30/27/1069453027.db2.gz KHEBAHAFUKYKJZ-UHFFFAOYSA-N 2 1 392.341 3.983 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)[C@H]1c1cccs1 ZINC001461234765 1069455424 /nfs/dbraw/zinc/45/54/24/1069455424.db2.gz WXCOVJPCXGWQCH-JXFKEZNVSA-N 2 1 385.512 3.641 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)[C@H]1c1cccs1 ZINC001461234765 1069455426 /nfs/dbraw/zinc/45/54/26/1069455426.db2.gz WXCOVJPCXGWQCH-JXFKEZNVSA-N 2 1 385.512 3.641 20 0 GHADMP FC(F)(F)c1cc(Cl)nc(Cl)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262058 1027411557 /nfs/dbraw/zinc/41/15/57/1027411557.db2.gz PKQYYFQWWRXXQW-UHFFFAOYSA-N 2 1 392.212 3.955 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001461235072 1069455575 /nfs/dbraw/zinc/45/55/75/1069455575.db2.gz PWNSWXZLHKNRBW-LEWJYISDSA-N 2 1 392.465 3.764 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001461235072 1069455580 /nfs/dbraw/zinc/45/55/80/1069455580.db2.gz PWNSWXZLHKNRBW-LEWJYISDSA-N 2 1 392.465 3.764 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cc1O ZINC001203868308 1027670600 /nfs/dbraw/zinc/67/06/00/1027670600.db2.gz PVMVKLYMRPFDDK-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837277 1027672261 /nfs/dbraw/zinc/67/22/61/1027672261.db2.gz OTPOWGYJCGAGFE-WOJBJXKFSA-N 2 1 378.605 3.595 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001203915201 1027706219 /nfs/dbraw/zinc/70/62/19/1027706219.db2.gz WBTBXIFXEOPOCL-UHFFFAOYSA-N 2 1 395.522 3.576 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1cccc3c1OCO3)C2 ZINC001141954409 1027737763 /nfs/dbraw/zinc/73/77/63/1027737763.db2.gz JWTVGUUFIWGRBQ-UHFFFAOYSA-N 2 1 391.471 3.594 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cccc3c1OCO3)C2 ZINC001141954409 1027737778 /nfs/dbraw/zinc/73/77/78/1027737778.db2.gz JWTVGUUFIWGRBQ-UHFFFAOYSA-N 2 1 391.471 3.594 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203953905 1027749055 /nfs/dbraw/zinc/74/90/55/1027749055.db2.gz USGFKGVAAVYYET-XZOQPEGZSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203953905 1027749066 /nfs/dbraw/zinc/74/90/66/1027749066.db2.gz USGFKGVAAVYYET-XZOQPEGZSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203953905 1027749080 /nfs/dbraw/zinc/74/90/80/1027749080.db2.gz USGFKGVAAVYYET-XZOQPEGZSA-N 2 1 378.516 3.956 20 0 GHADMP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001204011766 1027805058 /nfs/dbraw/zinc/80/50/58/1027805058.db2.gz JFLLVAIRGWPAGK-HKBOAZHASA-N 2 1 380.580 3.935 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001211279090 1027883380 /nfs/dbraw/zinc/88/33/80/1027883380.db2.gz ZSTBOHSUSBMCOC-GJYPPUQNSA-N 2 1 380.964 3.505 20 0 GHADMP COc1cccc2cc(CNCC3([NH3+])CC[NH+](Cc4ccccc4)CC3)oc21 ZINC000841103866 1028140199 /nfs/dbraw/zinc/14/01/99/1028140199.db2.gz LKFKZDVHISFTGI-UHFFFAOYSA-N 2 1 379.504 3.525 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(OCC[NH3+])c2)cc1 ZINC000841291821 1028380292 /nfs/dbraw/zinc/38/02/92/1028380292.db2.gz WOOSJZPZMIEEJR-SFHVURJKSA-N 2 1 396.535 3.720 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001214682114 1028857962 /nfs/dbraw/zinc/85/79/62/1028857962.db2.gz LVEKTERAHMQZHR-ZDUSSCGKSA-N 2 1 392.491 3.692 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC001214682114 1028857979 /nfs/dbraw/zinc/85/79/79/1028857979.db2.gz LVEKTERAHMQZHR-ZDUSSCGKSA-N 2 1 392.491 3.692 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001142848476 1029578733 /nfs/dbraw/zinc/57/87/33/1029578733.db2.gz OMZNYRNVEHOVJF-IBGZPJMESA-N 2 1 391.987 3.885 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc3[nH]ccc31)CC2 ZINC001142872418 1029617293 /nfs/dbraw/zinc/61/72/93/1029617293.db2.gz ATDDZXJOOGNDGQ-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+](Cc2nccnc2-c2ccc(Cl)cc2)CC1 ZINC001142980449 1029752548 /nfs/dbraw/zinc/75/25/48/1029752548.db2.gz AJKSVLCOTDTEEU-UHFFFAOYSA-N 2 1 379.895 3.823 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843124413 1029816360 /nfs/dbraw/zinc/81/63/60/1029816360.db2.gz APGDBVBTPXBMAC-MSOLQXFVSA-N 2 1 390.934 3.854 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364017 1029940875 /nfs/dbraw/zinc/94/08/75/1029940875.db2.gz KQHFXQUIMRGKPS-KGLIPLIRSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001222211098 1030008211 /nfs/dbraw/zinc/00/82/11/1030008211.db2.gz KQVIDJJPZXKALD-DYQZNNLLSA-N 2 1 388.600 3.735 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CCCc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC001222215916 1030012248 /nfs/dbraw/zinc/01/22/48/1030012248.db2.gz OGILLLBFZSSPNT-SFHVURJKSA-N 2 1 398.469 3.645 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC001222313776 1030063851 /nfs/dbraw/zinc/06/38/51/1030063851.db2.gz FWKCJOZORCRJQZ-VKJFTORMSA-N 2 1 399.366 3.522 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)cc1OC(F)F ZINC001222316092 1030066506 /nfs/dbraw/zinc/06/65/06/1030066506.db2.gz SMAOBQRVQDASOW-GOSISDBHSA-N 2 1 376.394 3.998 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407375 1030110890 /nfs/dbraw/zinc/11/08/90/1030110890.db2.gz HBOWOFJIDSCRIU-UHFFFAOYSA-N 2 1 380.532 3.776 20 0 GHADMP Nc1cccc(F)c1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222583451 1030211874 /nfs/dbraw/zinc/21/18/74/1030211874.db2.gz NIOYUPFFOZQFBY-LJQANCHMSA-N 2 1 383.511 3.711 20 0 GHADMP Nc1cccc(F)c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222583451 1030211886 /nfs/dbraw/zinc/21/18/86/1030211886.db2.gz NIOYUPFFOZQFBY-LJQANCHMSA-N 2 1 383.511 3.711 20 0 GHADMP c1cc2cc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cnc2[nH]1 ZINC001222582962 1030212000 /nfs/dbraw/zinc/21/20/00/1030212000.db2.gz IQKOHKXEBQXOKD-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP COc1cccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1N ZINC001222590340 1030214944 /nfs/dbraw/zinc/21/49/44/1030214944.db2.gz HNLDRQHVRLPVMX-OAQYLSRUSA-N 2 1 395.547 3.581 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596143 1030222304 /nfs/dbraw/zinc/22/23/04/1030222304.db2.gz QQVMLYQBEXPNGA-DNQXCXABSA-N 2 1 375.560 3.730 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001222613461 1030237021 /nfs/dbraw/zinc/23/70/21/1030237021.db2.gz STCHXFQCXRTYJZ-FGZHOGPDSA-N 2 1 390.616 3.595 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222613461 1030237034 /nfs/dbraw/zinc/23/70/34/1030237034.db2.gz STCHXFQCXRTYJZ-FGZHOGPDSA-N 2 1 390.616 3.595 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222613461 1030237048 /nfs/dbraw/zinc/23/70/48/1030237048.db2.gz STCHXFQCXRTYJZ-FGZHOGPDSA-N 2 1 390.616 3.595 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)c1 ZINC001461634898 1069650689 /nfs/dbraw/zinc/65/06/89/1069650689.db2.gz SAACTPLUOXULQI-DHIUTWEWSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001461634898 1069650695 /nfs/dbraw/zinc/65/06/95/1069650695.db2.gz SAACTPLUOXULQI-DHIUTWEWSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001461634898 1069650699 /nfs/dbraw/zinc/65/06/99/1069650699.db2.gz SAACTPLUOXULQI-DHIUTWEWSA-N 2 1 383.580 3.873 20 0 GHADMP Fc1cc(Br)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1Cl ZINC001222630133 1030249595 /nfs/dbraw/zinc/24/95/95/1030249595.db2.gz ZSYFWELRQZOGCF-AOOOYVTPSA-N 2 1 379.676 3.812 20 0 GHADMP Fc1cc(Br)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1Cl ZINC001222630133 1030249611 /nfs/dbraw/zinc/24/96/11/1030249611.db2.gz ZSYFWELRQZOGCF-AOOOYVTPSA-N 2 1 379.676 3.812 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)cc1 ZINC001222643820 1030255327 /nfs/dbraw/zinc/25/53/27/1030255327.db2.gz VXOAWNJJWNQCJE-SFHVURJKSA-N 2 1 378.442 3.687 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)c1ccccc1Cl ZINC001223455696 1030581522 /nfs/dbraw/zinc/58/15/22/1030581522.db2.gz YRZJXTNDONOYLN-XUVXKRRUSA-N 2 1 392.975 3.601 20 0 GHADMP CCCCCCc1nnc([C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)o1 ZINC001217755596 1030646641 /nfs/dbraw/zinc/64/66/41/1030646641.db2.gz WJVXVHJTMCXJTO-NFBKMPQASA-N 2 1 382.552 3.946 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3OC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc1 ZINC001217809887 1030655327 /nfs/dbraw/zinc/65/53/27/1030655327.db2.gz XVBCSRRMFZPDSI-VDNRPAQBSA-N 2 1 398.591 3.853 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC001150921781 1030710291 /nfs/dbraw/zinc/71/02/91/1030710291.db2.gz YUHMDNZWOXNLAW-YJBOKZPZSA-N 2 1 386.367 3.833 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001223843399 1030777219 /nfs/dbraw/zinc/77/72/19/1030777219.db2.gz IXMBBLSYRBUKOR-XKCSPQBFSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001223843399 1030777241 /nfs/dbraw/zinc/77/72/41/1030777241.db2.gz IXMBBLSYRBUKOR-XKCSPQBFSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001223843399 1030777257 /nfs/dbraw/zinc/77/72/57/1030777257.db2.gz IXMBBLSYRBUKOR-XKCSPQBFSA-N 2 1 398.595 3.698 20 0 GHADMP C[N@H+]1CCc2cc(Cl)c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)cc2[C@@H](c2ccccc2)C1 ZINC001218146616 1030796982 /nfs/dbraw/zinc/79/69/82/1030796982.db2.gz DFUROCMQUSSKSF-KSPVPNAGSA-N 2 1 382.935 3.947 20 0 GHADMP [NH3+][C@H](C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C1Cc2ccccc2C1 ZINC001218847856 1031112136 /nfs/dbraw/zinc/11/21/36/1031112136.db2.gz KOLJAVMALGAYDT-VWLOTQADSA-N 2 1 397.522 3.883 20 0 GHADMP [NH3+][C@H](C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C1Cc2ccccc2C1 ZINC001218847856 1031112147 /nfs/dbraw/zinc/11/21/47/1031112147.db2.gz KOLJAVMALGAYDT-VWLOTQADSA-N 2 1 397.522 3.883 20 0 GHADMP C[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218850072 1031114464 /nfs/dbraw/zinc/11/44/64/1031114464.db2.gz ZFPNOTLXZBOPTB-XMMPIXPASA-N 2 1 385.511 3.972 20 0 GHADMP C[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218850072 1031114476 /nfs/dbraw/zinc/11/44/76/1031114476.db2.gz ZFPNOTLXZBOPTB-XMMPIXPASA-N 2 1 385.511 3.972 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)c1 ZINC001218883104 1031131674 /nfs/dbraw/zinc/13/16/74/1031131674.db2.gz FOHBGUCRCSLNLJ-MOPGFXCFSA-N 2 1 384.524 3.539 20 0 GHADMP C[NH2+]CCCCNC(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001220077446 1031773820 /nfs/dbraw/zinc/77/38/20/1031773820.db2.gz JPBKVXNNJUDQBM-DENIHFKCSA-N 2 1 379.548 3.602 20 0 GHADMP CC(=O)NC[C@H]1CCC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001461836662 1069779723 /nfs/dbraw/zinc/77/97/23/1069779723.db2.gz AOHPYKDPYNUHPR-ISKFKSNPSA-N 2 1 385.596 3.773 20 0 GHADMP CC(=O)NC[C@H]1CCC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001461836662 1069779733 /nfs/dbraw/zinc/77/97/33/1069779733.db2.gz AOHPYKDPYNUHPR-ISKFKSNPSA-N 2 1 385.596 3.773 20 0 GHADMP CC(=O)NC[C@H]1CCC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001461836662 1069779744 /nfs/dbraw/zinc/77/97/44/1069779744.db2.gz AOHPYKDPYNUHPR-ISKFKSNPSA-N 2 1 385.596 3.773 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001229186278 1033329010 /nfs/dbraw/zinc/32/90/10/1033329010.db2.gz NCPQYWFDDSHZBJ-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001229454254 1033489840 /nfs/dbraw/zinc/48/98/40/1033489840.db2.gz MPYXYLHWZUSRCW-RBBKRZOGSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001229454254 1033489845 /nfs/dbraw/zinc/48/98/45/1033489845.db2.gz MPYXYLHWZUSRCW-RBBKRZOGSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001229454254 1033489852 /nfs/dbraw/zinc/48/98/52/1033489852.db2.gz MPYXYLHWZUSRCW-RBBKRZOGSA-N 2 1 388.600 3.851 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)CC[C@@H]1C[NH3+] ZINC001205618150 1033494123 /nfs/dbraw/zinc/49/41/23/1033494123.db2.gz SDFZLAMNKRUFJB-CHWSQXEVSA-N 2 1 386.487 3.974 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)CC[C@H]1C[NH3+] ZINC001205653929 1033512007 /nfs/dbraw/zinc/51/20/07/1033512007.db2.gz VWNPEDRCJUIYTM-RYUDHWBXSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(I)ccc2Cl)CC[C@H]1C[NH3+] ZINC001205662657 1033518107 /nfs/dbraw/zinc/51/81/07/1033518107.db2.gz CXJLIHWIROTWQJ-NEPJUHHUSA-N 2 1 392.712 3.751 20 0 GHADMP COC(=O)C1=C[C@@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001229622431 1033599910 /nfs/dbraw/zinc/59/99/10/1033599910.db2.gz MVLWCRKBBPAZLS-WZONZLPQSA-N 2 1 394.515 3.672 20 0 GHADMP COC(=O)C1=C[C@@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001229622428 1033599998 /nfs/dbraw/zinc/59/99/98/1033599998.db2.gz MVLWCRKBBPAZLS-FDDCHVKYSA-N 2 1 394.515 3.672 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(-n2ccc3c2CC[NH2+]C3)n1 ZINC001157454274 1033600318 /nfs/dbraw/zinc/60/03/18/1033600318.db2.gz SKXVFLOUTOLEDB-UHFFFAOYSA-N 2 1 389.528 3.856 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 ZINC001157494868 1033619467 /nfs/dbraw/zinc/61/94/67/1033619467.db2.gz CVJPDJKLMNGGHG-OALUTQOASA-N 2 1 391.437 3.611 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 ZINC001157494868 1033619476 /nfs/dbraw/zinc/61/94/76/1033619476.db2.gz CVJPDJKLMNGGHG-OALUTQOASA-N 2 1 391.437 3.611 20 0 GHADMP Brc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n1 ZINC001205962318 1033657548 /nfs/dbraw/zinc/65/75/48/1033657548.db2.gz CVSWAOGSDBIJOK-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Brc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001205962318 1033657550 /nfs/dbraw/zinc/65/75/50/1033657550.db2.gz CVSWAOGSDBIJOK-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)CCC[C@@H]1C[NH3+] ZINC001205996207 1033676013 /nfs/dbraw/zinc/67/60/13/1033676013.db2.gz WAZUMNKKQABHKF-CHWSQXEVSA-N 2 1 386.487 3.974 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc([C@@H]3CCC[NH2+]3)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157616799 1033693048 /nfs/dbraw/zinc/69/30/48/1033693048.db2.gz YBJUWUYAOUOIRI-MSYCTHLASA-N 2 1 377.532 3.846 20 0 GHADMP C[C@H](CCNC(=O)N1CC[NH+](C2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC001229796102 1033720772 /nfs/dbraw/zinc/72/07/72/1033720772.db2.gz ZJHGPPPPAGBMAT-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001206128096 1033731615 /nfs/dbraw/zinc/73/16/15/1033731615.db2.gz QNJUJLMZSNYORP-IBGZPJMESA-N 2 1 375.557 3.745 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001206128096 1033731624 /nfs/dbraw/zinc/73/16/24/1033731624.db2.gz QNJUJLMZSNYORP-IBGZPJMESA-N 2 1 375.557 3.745 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@@H]1F ZINC001206166262 1033749403 /nfs/dbraw/zinc/74/94/03/1033749403.db2.gz RMTPOKIMLKKNAQ-ROUUACIJSA-N 2 1 378.289 3.772 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2)cc1 ZINC001230195210 1033939568 /nfs/dbraw/zinc/93/95/68/1033939568.db2.gz MGFMKSSHOYLNDJ-IBGZPJMESA-N 2 1 388.600 3.614 20 0 GHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(Br)c1 ZINC001206683291 1033942523 /nfs/dbraw/zinc/94/25/23/1033942523.db2.gz FAWBCPSQGVUNML-UHFFFAOYSA-N 2 1 389.337 3.913 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(Br)c1 ZINC001206683291 1033942526 /nfs/dbraw/zinc/94/25/26/1033942526.db2.gz FAWBCPSQGVUNML-UHFFFAOYSA-N 2 1 389.337 3.913 20 0 GHADMP COc1cc(C)ccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001206749724 1033968536 /nfs/dbraw/zinc/96/85/36/1033968536.db2.gz UYFKNPLBAMTUEM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)ccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001206749724 1033968540 /nfs/dbraw/zinc/96/85/40/1033968540.db2.gz UYFKNPLBAMTUEM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001206749724 1033968546 /nfs/dbraw/zinc/96/85/46/1033968546.db2.gz UYFKNPLBAMTUEM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001206749724 1033968549 /nfs/dbraw/zinc/96/85/49/1033968549.db2.gz UYFKNPLBAMTUEM-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC001230464955 1034074904 /nfs/dbraw/zinc/07/49/04/1034074904.db2.gz KGGLZZQADYTWPR-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC001230464955 1034074917 /nfs/dbraw/zinc/07/49/17/1034074917.db2.gz KGGLZZQADYTWPR-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001230464955 1034074928 /nfs/dbraw/zinc/07/49/28/1034074928.db2.gz KGGLZZQADYTWPR-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)n1nccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001207172698 1034142982 /nfs/dbraw/zinc/14/29/82/1034142982.db2.gz NEKQKNCCCOBVML-JOCHJYFZSA-N 2 1 382.552 3.720 20 0 GHADMP Clc1ccc([C@@H]2C[C@H]2C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001207185411 1034154776 /nfs/dbraw/zinc/15/47/76/1034154776.db2.gz VTBBKTATAUDXKN-RXVVDRJESA-N 2 1 384.955 3.794 20 0 GHADMP COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291463 1034241840 /nfs/dbraw/zinc/24/18/40/1034241840.db2.gz RHTOHIOVMNCYLW-RPWUZVMVSA-N 2 1 386.580 3.806 20 0 GHADMP Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001230859240 1034255040 /nfs/dbraw/zinc/25/50/40/1034255040.db2.gz UUVWBBSNFWHFIR-ILWGZMRPSA-N 2 1 388.600 3.545 20 0 GHADMP Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001230859240 1034255049 /nfs/dbraw/zinc/25/50/49/1034255049.db2.gz UUVWBBSNFWHFIR-ILWGZMRPSA-N 2 1 388.600 3.545 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(CCCc2ccc(Br)cc2)CC1 ZINC001207321999 1034270353 /nfs/dbraw/zinc/27/03/53/1034270353.db2.gz GWTJEFFCNMKBJP-FQEVSTJZSA-N 2 1 395.385 3.957 20 0 GHADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207321999 1034270359 /nfs/dbraw/zinc/27/03/59/1034270359.db2.gz GWTJEFFCNMKBJP-FQEVSTJZSA-N 2 1 395.385 3.957 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207321999 1034270365 /nfs/dbraw/zinc/27/03/65/1034270365.db2.gz GWTJEFFCNMKBJP-FQEVSTJZSA-N 2 1 395.385 3.957 20 0 GHADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207386227 1034333894 /nfs/dbraw/zinc/33/38/94/1034333894.db2.gz VNUOKEZPRLZNLQ-LJQANCHMSA-N 2 1 381.358 3.567 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207386227 1034333903 /nfs/dbraw/zinc/33/39/03/1034333903.db2.gz VNUOKEZPRLZNLQ-LJQANCHMSA-N 2 1 381.358 3.567 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)c1-c1ccccc1 ZINC001207442825 1034370144 /nfs/dbraw/zinc/37/01/44/1034370144.db2.gz HKSWUSWVRFPRPB-SFHVURJKSA-N 2 1 384.549 3.557 20 0 GHADMP CN(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3)C(C)(C)C[NH3+] ZINC001159055441 1034402828 /nfs/dbraw/zinc/40/28/28/1034402828.db2.gz NLHBGEUZHXGNNA-UHFFFAOYSA-N 2 1 387.597 3.730 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207671042 1034521694 /nfs/dbraw/zinc/52/16/94/1034521694.db2.gz QYQJPISDOYLWPV-KSEOMHKRSA-N 2 1 380.617 3.777 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207671042 1034521702 /nfs/dbraw/zinc/52/17/02/1034521702.db2.gz QYQJPISDOYLWPV-KSEOMHKRSA-N 2 1 380.617 3.777 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207671042 1034521705 /nfs/dbraw/zinc/52/17/05/1034521705.db2.gz QYQJPISDOYLWPV-KSEOMHKRSA-N 2 1 380.617 3.777 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC001231420065 1034571022 /nfs/dbraw/zinc/57/10/22/1034571022.db2.gz JJZQJDFFJOXGAE-UHFFFAOYSA-N 2 1 382.504 3.523 20 0 GHADMP C[C@H]1C[C@@H](c2ccncc2Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C[C@@H]([NH3+])C1 ZINC001159391323 1034575852 /nfs/dbraw/zinc/57/58/52/1034575852.db2.gz QVOHYKKSLRJXGR-TYPHKJRUSA-N 2 1 393.579 3.804 20 0 GHADMP c1ccc(CN2CC[NH+](Cc3ccc(NC4=CCC[NH2+]CC4)cc3)CC2)cc1 ZINC001159478017 1034613163 /nfs/dbraw/zinc/61/31/63/1034613163.db2.gz FIPRNGTXNJCQDT-UHFFFAOYSA-N 2 1 376.548 3.684 20 0 GHADMP [NH3+]C1CCC(N(c2nc(N3CCCC3)cc[nH+]2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001159554396 1034661640 /nfs/dbraw/zinc/66/16/40/1034661640.db2.gz JPRFCQBTEXTUMO-NSKBAKJYSA-N 2 1 377.536 3.709 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC[C@@H](C)SC)CC2 ZINC001208143619 1034753620 /nfs/dbraw/zinc/75/36/20/1034753620.db2.gz SMRFIPRDQMZECE-UYAOXDASSA-N 2 1 377.598 3.526 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CCCC1 ZINC001208185033 1034781267 /nfs/dbraw/zinc/78/12/67/1034781267.db2.gz UCXOEVHIZJKDGI-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001231654242 1034811805 /nfs/dbraw/zinc/81/18/05/1034811805.db2.gz SEJMWGBSCILFAT-QFIPXVFZSA-N 2 1 395.547 3.736 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[NH+](CC4(c5ccccc5)CCOCC4)C[C@@H]3C2)c1 ZINC001208223334 1034812189 /nfs/dbraw/zinc/81/21/89/1034812189.db2.gz PNHYXKNPNIGHJU-PMACEKPBSA-N 2 1 382.573 3.860 20 0 GHADMP C(Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@@H]1CCCC[NH2+]1 ZINC001160151752 1034879669 /nfs/dbraw/zinc/87/96/69/1034879669.db2.gz YQXWNERXHGFZCF-HNNXBMFYSA-N 2 1 385.581 3.720 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001208592041 1034946589 /nfs/dbraw/zinc/94/65/89/1034946589.db2.gz BPXGYRWRUXVHDD-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC001208608825 1034953538 /nfs/dbraw/zinc/95/35/38/1034953538.db2.gz WXUPJGGCKSDKNY-AWEZNQCLSA-N 2 1 390.877 3.984 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001208615148 1034955554 /nfs/dbraw/zinc/95/55/54/1034955554.db2.gz QNISEWIKMZTUTF-JOCHJYFZSA-N 2 1 379.548 3.729 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001208615148 1034955556 /nfs/dbraw/zinc/95/55/56/1034955556.db2.gz QNISEWIKMZTUTF-JOCHJYFZSA-N 2 1 379.548 3.729 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001208627525 1034959791 /nfs/dbraw/zinc/95/97/91/1034959791.db2.gz IDOJUKYIDRTDPG-XUTJKUGGSA-N 2 1 399.579 3.737 20 0 GHADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001231875434 1034960439 /nfs/dbraw/zinc/96/04/39/1034960439.db2.gz KHBOOVGPFFWBQI-DHIUTWEWSA-N 2 1 383.580 3.717 20 0 GHADMP [NH3+]Cc1ccc(Nc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC001160402301 1034965137 /nfs/dbraw/zinc/96/51/37/1034965137.db2.gz NRLRDFDORKMRKG-UHFFFAOYSA-N 2 1 394.548 3.763 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4COC5(CCCCC5)O4)CC[C@H]3C2)cc1 ZINC001208648692 1034967088 /nfs/dbraw/zinc/96/70/88/1034967088.db2.gz QPXLBGXYQDILFH-VABKMULXSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4COC5(CCCCC5)O4)CC[C@H]3C2)cc1 ZINC001208648692 1034967091 /nfs/dbraw/zinc/96/70/91/1034967091.db2.gz QPXLBGXYQDILFH-VABKMULXSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4COC5(CCCCC5)O4)CC[C@H]3C2)cc1 ZINC001208648692 1034967093 /nfs/dbraw/zinc/96/70/93/1034967093.db2.gz QPXLBGXYQDILFH-VABKMULXSA-N 2 1 384.564 3.906 20 0 GHADMP C[C@@H](CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1)CC(C)(C)C ZINC001208661701 1034972701 /nfs/dbraw/zinc/97/27/01/1034972701.db2.gz XPOHOVYUMYHBAP-CEWLAPEOSA-N 2 1 377.617 3.856 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CCC(C)(C)c1ccccc1)CCC2 ZINC001208664868 1034973974 /nfs/dbraw/zinc/97/39/74/1034973974.db2.gz BDTRKZWOMRRZMF-UHFFFAOYSA-N 2 1 384.568 3.535 20 0 GHADMP [NH3+]C1(C(=O)N(Cc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC001160684404 1035035115 /nfs/dbraw/zinc/03/51/15/1035035115.db2.gz UERHPUQLPAWHRY-QFIPXVFZSA-N 2 1 377.532 3.561 20 0 GHADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)CCO1 ZINC001208818395 1035038243 /nfs/dbraw/zinc/03/82/43/1035038243.db2.gz RPQIOHKVRSJXPH-SFHVURJKSA-N 2 1 388.552 3.575 20 0 GHADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208826207 1035044231 /nfs/dbraw/zinc/04/42/31/1035044231.db2.gz UQABOXSESPDFPD-FQEVSTJZSA-N 2 1 395.385 3.957 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208826207 1035044244 /nfs/dbraw/zinc/04/42/44/1035044244.db2.gz UQABOXSESPDFPD-FQEVSTJZSA-N 2 1 395.385 3.957 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232017543 1035046988 /nfs/dbraw/zinc/04/69/88/1035046988.db2.gz UOPPSANDRBGMJN-UHFFFAOYSA-N 2 1 385.309 3.956 20 0 GHADMP CCOC(=O)c1ccc(CCC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001208870676 1035068698 /nfs/dbraw/zinc/06/86/98/1035068698.db2.gz YLTHMOIJBRGUER-UHFFFAOYSA-N 2 1 376.516 3.694 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC001208933052 1035097761 /nfs/dbraw/zinc/09/77/61/1035097761.db2.gz CJXQHBKHPLHPRP-BWKNWUBXSA-N 2 1 389.543 3.519 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC001208933052 1035097769 /nfs/dbraw/zinc/09/77/69/1035097769.db2.gz CJXQHBKHPLHPRP-BWKNWUBXSA-N 2 1 389.543 3.519 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC001208933052 1035097778 /nfs/dbraw/zinc/09/77/78/1035097778.db2.gz CJXQHBKHPLHPRP-BWKNWUBXSA-N 2 1 389.543 3.519 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933727 1035099832 /nfs/dbraw/zinc/09/98/32/1035099832.db2.gz GDSJFYQFNGNXAZ-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933727 1035099835 /nfs/dbraw/zinc/09/98/35/1035099835.db2.gz GDSJFYQFNGNXAZ-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933727 1035099842 /nfs/dbraw/zinc/09/98/42/1035099842.db2.gz GDSJFYQFNGNXAZ-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934721 1035100783 /nfs/dbraw/zinc/10/07/83/1035100783.db2.gz IKHWYGVZSWOWRV-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[NH+]2C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208934721 1035100789 /nfs/dbraw/zinc/10/07/89/1035100789.db2.gz IKHWYGVZSWOWRV-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[NH+]2C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934721 1035100791 /nfs/dbraw/zinc/10/07/91/1035100791.db2.gz IKHWYGVZSWOWRV-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208945121 1035115977 /nfs/dbraw/zinc/11/59/77/1035115977.db2.gz YUIVCTSTRYNCPR-HKBOAZHASA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208945121 1035115980 /nfs/dbraw/zinc/11/59/80/1035115980.db2.gz YUIVCTSTRYNCPR-HKBOAZHASA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208945121 1035115984 /nfs/dbraw/zinc/11/59/84/1035115984.db2.gz YUIVCTSTRYNCPR-HKBOAZHASA-N 2 1 385.552 3.592 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208944523 1035116062 /nfs/dbraw/zinc/11/60/62/1035116062.db2.gz XMUQTIVJPZCWQW-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208944523 1035116065 /nfs/dbraw/zinc/11/60/65/1035116065.db2.gz XMUQTIVJPZCWQW-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001208944523 1035116066 /nfs/dbraw/zinc/11/60/66/1035116066.db2.gz XMUQTIVJPZCWQW-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208947443 1035116967 /nfs/dbraw/zinc/11/69/67/1035116967.db2.gz KAVRXZGWICLGCI-SMIHKQSGSA-N 2 1 375.560 3.967 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208947443 1035116975 /nfs/dbraw/zinc/11/69/75/1035116975.db2.gz KAVRXZGWICLGCI-SMIHKQSGSA-N 2 1 375.560 3.967 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3C[C@H]4CN(c5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208947443 1035116981 /nfs/dbraw/zinc/11/69/81/1035116981.db2.gz KAVRXZGWICLGCI-SMIHKQSGSA-N 2 1 375.560 3.967 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001232144181 1035121481 /nfs/dbraw/zinc/12/14/81/1035121481.db2.gz GYJPVHJZWYJPNS-ICSRJNTNSA-N 2 1 391.531 3.719 20 0 GHADMP O=C1CC2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc2N1 ZINC001208950753 1035121494 /nfs/dbraw/zinc/12/14/94/1035121494.db2.gz FAQUMUZBDMNQNN-NRFANRHFSA-N 2 1 389.543 3.885 20 0 GHADMP CC(C)(C)OC(=O)NC1(C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950897 1035122040 /nfs/dbraw/zinc/12/20/40/1035122040.db2.gz XLCXRSSHHQHQLX-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208951582 1035123689 /nfs/dbraw/zinc/12/36/89/1035123689.db2.gz DDZWNTVISAZQFE-KJJMTIBFSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951582 1035123694 /nfs/dbraw/zinc/12/36/94/1035123694.db2.gz DDZWNTVISAZQFE-KJJMTIBFSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951582 1035123699 /nfs/dbraw/zinc/12/36/99/1035123699.db2.gz DDZWNTVISAZQFE-KJJMTIBFSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208962173 1035133048 /nfs/dbraw/zinc/13/30/48/1035133048.db2.gz IFFSGDNMFUGUNH-GXRSIYKFSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208962173 1035133053 /nfs/dbraw/zinc/13/30/53/1035133053.db2.gz IFFSGDNMFUGUNH-GXRSIYKFSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208962173 1035133059 /nfs/dbraw/zinc/13/30/59/1035133059.db2.gz IFFSGDNMFUGUNH-GXRSIYKFSA-N 2 1 399.579 3.744 20 0 GHADMP [NH3+][C@H](C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1)c1ccsc1 ZINC001161144108 1035158151 /nfs/dbraw/zinc/15/81/51/1035158151.db2.gz HRLMADXSKJFNCJ-FQEVSTJZSA-N 2 1 383.561 3.653 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CC4CCC5(CC4)OCCO5)CC[C@H]3C2)cc1 ZINC001209104662 1035175000 /nfs/dbraw/zinc/17/50/00/1035175000.db2.gz DWMDDUYUKCLPDL-GOTSBHOMSA-N 2 1 384.564 3.764 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@H]3C2)cc1 ZINC001209104662 1035175004 /nfs/dbraw/zinc/17/50/04/1035175004.db2.gz DWMDDUYUKCLPDL-GOTSBHOMSA-N 2 1 384.564 3.764 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@H]3C2)cc1 ZINC001209104662 1035175007 /nfs/dbraw/zinc/17/50/07/1035175007.db2.gz DWMDDUYUKCLPDL-GOTSBHOMSA-N 2 1 384.564 3.764 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232234039 1035175998 /nfs/dbraw/zinc/17/59/98/1035175998.db2.gz NEPZZFZJMWNVBZ-ILBGXUMGSA-N 2 1 393.575 3.717 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232234039 1035176002 /nfs/dbraw/zinc/17/60/02/1035176002.db2.gz NEPZZFZJMWNVBZ-ILBGXUMGSA-N 2 1 393.575 3.717 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232234039 1035176006 /nfs/dbraw/zinc/17/60/06/1035176006.db2.gz NEPZZFZJMWNVBZ-ILBGXUMGSA-N 2 1 393.575 3.717 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232234039 1035176009 /nfs/dbraw/zinc/17/60/09/1035176009.db2.gz NEPZZFZJMWNVBZ-ILBGXUMGSA-N 2 1 393.575 3.717 20 0 GHADMP C[C@@H]1[C@H](CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232017 1035186608 /nfs/dbraw/zinc/18/66/08/1035186608.db2.gz WYAINZVDKWQZAB-XFGYDDDFSA-N 2 1 391.559 3.695 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3COC(C)(C)OC3)C[C@H]21 ZINC001209195107 1035206123 /nfs/dbraw/zinc/20/61/23/1035206123.db2.gz CALRRXAHSPWOFW-MISYRCLQSA-N 2 1 378.582 3.680 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC001161367404 1035218064 /nfs/dbraw/zinc/21/80/64/1035218064.db2.gz WPVORGHLYOBCQF-UFYCRDLUSA-N 2 1 380.540 3.827 20 0 GHADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](CCCCOCc4ccccc4)CC3)C2)co1 ZINC001209252433 1035222078 /nfs/dbraw/zinc/22/20/78/1035222078.db2.gz GPNITJNNABGWQA-UHFFFAOYSA-N 2 1 398.547 3.943 20 0 GHADMP c1cc(C[N@H+]2CCOC3(CC[NH+](CCCCOCc4ccccc4)CC3)C2)co1 ZINC001209252433 1035222085 /nfs/dbraw/zinc/22/20/85/1035222085.db2.gz GPNITJNNABGWQA-UHFFFAOYSA-N 2 1 398.547 3.943 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3cc(C4C[NH2+]C4)ncn3)[C@H](c3ccccc3)C2)cc1 ZINC001161463223 1035236031 /nfs/dbraw/zinc/23/60/31/1035236031.db2.gz TZCKSROHOAULGF-GOTSBHOMSA-N 2 1 399.542 3.634 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@H]2C1 ZINC001209310252 1035237634 /nfs/dbraw/zinc/23/76/34/1035237634.db2.gz DFKPXRXOYFSAIU-RTBURBONSA-N 2 1 379.589 3.830 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC2(Cc3ccccn3)CC[NH2+]CC2)nc1 ZINC001161496268 1035241466 /nfs/dbraw/zinc/24/14/66/1035241466.db2.gz FTMLLGDYJCMVEG-OAQYLSRUSA-N 2 1 379.552 3.800 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209367376 1035256210 /nfs/dbraw/zinc/25/62/10/1035256210.db2.gz MLWJJXJLQXLFNA-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209367376 1035256216 /nfs/dbraw/zinc/25/62/16/1035256216.db2.gz MLWJJXJLQXLFNA-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209367376 1035256222 /nfs/dbraw/zinc/25/62/22/1035256222.db2.gz MLWJJXJLQXLFNA-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(Br)cc2F)no1 ZINC001248194055 1035622813 /nfs/dbraw/zinc/62/28/13/1035622813.db2.gz DGXZGZSTUREWEO-ZDUSSCGKSA-N 2 1 389.244 3.509 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2Br)no1 ZINC001248195503 1035624600 /nfs/dbraw/zinc/62/46/00/1035624600.db2.gz ZYHIRWZYCXIKSA-LBPRGKRZSA-N 2 1 387.709 3.884 20 0 GHADMP [NH3+][C@H]1CC[C@H](Cc2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CC1 ZINC001248195896 1035625744 /nfs/dbraw/zinc/62/57/44/1035625744.db2.gz ALXWOYMDCLEXLB-ZXYWRSMDSA-N 2 1 381.455 3.668 20 0 GHADMP C[C@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001462012541 1069944641 /nfs/dbraw/zinc/94/46/41/1069944641.db2.gz JBSHNJCYMQQORM-UGKGYDQZSA-N 2 1 393.531 3.508 20 0 GHADMP C[C@H]([NH2+]C1CN(C(=O)OCc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462012541 1069944647 /nfs/dbraw/zinc/94/46/47/1069944647.db2.gz JBSHNJCYMQQORM-UGKGYDQZSA-N 2 1 393.531 3.508 20 0 GHADMP CN1CC[NH+](Cc2ccccc2Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001248414174 1035832354 /nfs/dbraw/zinc/83/23/54/1035832354.db2.gz WPQUFFQUBXAHIG-UHFFFAOYSA-N 2 1 382.552 3.508 20 0 GHADMP Clc1ccn2ncc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2n1 ZINC001248880461 1036218601 /nfs/dbraw/zinc/21/86/01/1036218601.db2.gz JTPZKBHVIKEWJU-RBUKOAKNSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccn2ncc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c2n1 ZINC001248880461 1036218617 /nfs/dbraw/zinc/21/86/17/1036218617.db2.gz JTPZKBHVIKEWJU-RBUKOAKNSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccn2ncc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2n1 ZINC001248880461 1036218630 /nfs/dbraw/zinc/21/86/30/1036218630.db2.gz JTPZKBHVIKEWJU-RBUKOAKNSA-N 2 1 395.938 3.727 20 0 GHADMP [NH3+]Cc1cnccc1-c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001245556864 1036951311 /nfs/dbraw/zinc/95/13/11/1036951311.db2.gz GXQNGEJENFMOAM-UHFFFAOYSA-N 2 1 379.533 3.687 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001246018042 1037138428 /nfs/dbraw/zinc/13/84/28/1037138428.db2.gz ABZPNIDICCWYTI-GAJHUEQPSA-N 2 1 381.520 3.512 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC001246020718 1037138706 /nfs/dbraw/zinc/13/87/06/1037138706.db2.gz KEQYDXKJOHDZFM-GAJHUEQPSA-N 2 1 381.520 3.512 20 0 GHADMP O[C@H](C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246026763 1037143733 /nfs/dbraw/zinc/14/37/33/1037143733.db2.gz JFBNFTFKTKSPAS-DHIUTWEWSA-N 2 1 380.532 3.523 20 0 GHADMP O[C@H](C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246026766 1037143974 /nfs/dbraw/zinc/14/39/74/1037143974.db2.gz JFBNFTFKTKSPAS-XZOQPEGZSA-N 2 1 380.532 3.523 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001246054032 1037165737 /nfs/dbraw/zinc/16/57/37/1037165737.db2.gz BWYHXDGPICGEFZ-FIKGOQFSSA-N 2 1 378.438 3.909 20 0 GHADMP F[C@@H]1C[NH2+]C[C@H]1N[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246130513 1037207726 /nfs/dbraw/zinc/20/77/26/1037207726.db2.gz UCSJFJQKWJTZPH-XTAUHMBVSA-N 2 1 393.550 3.651 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC001246180669 1037224087 /nfs/dbraw/zinc/22/40/87/1037224087.db2.gz QOXWRINNOQODCS-NFBKMPQASA-N 3 1 385.527 3.657 20 0 GHADMP C[C@@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCNCC1(F)F ZINC001246218581 1037243837 /nfs/dbraw/zinc/24/38/37/1037243837.db2.gz BOSUSCPCCUIHGE-WOZUAGRISA-N 2 1 377.523 3.797 20 0 GHADMP COC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCc2ccccc2)cc1 ZINC001246257128 1037256357 /nfs/dbraw/zinc/25/63/57/1037256357.db2.gz UEFKAGJXLCQMTK-FANLQWHUSA-N 2 1 394.515 3.742 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+]C(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246254489 1037257761 /nfs/dbraw/zinc/25/77/61/1037257761.db2.gz HXMONLKTFSBMGL-IRLDBZIGSA-N 2 1 396.531 3.990 20 0 GHADMP CC[C@@H]1CC([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)C[C@@H](CC)[NH2+]1 ZINC001246378309 1037335389 /nfs/dbraw/zinc/33/53/89/1037335389.db2.gz WEBAVSVVZKBPRY-JFIYKMOQSA-N 2 1 397.357 3.952 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CCOCC3)c(OC)c2)CC[NH2+]1 ZINC001246385991 1037347214 /nfs/dbraw/zinc/34/72/14/1037347214.db2.gz GXMTXVXTUHQPKH-LEWJYISDSA-N 2 1 390.568 3.901 20 0 GHADMP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246419001 1037374789 /nfs/dbraw/zinc/37/47/89/1037374789.db2.gz BVVWAOJWSFZJEK-MOPGFXCFSA-N 2 1 381.486 3.796 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246422694 1037380881 /nfs/dbraw/zinc/38/08/81/1037380881.db2.gz MSHPBAXHBMXMCV-YJBOKZPZSA-N 2 1 398.469 3.996 20 0 GHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001246431776 1037393711 /nfs/dbraw/zinc/39/37/11/1037393711.db2.gz UBSYUXJFCCEWHT-OAHLLOKOSA-N 2 1 386.458 3.994 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC[NH2+]1 ZINC001246467095 1037421182 /nfs/dbraw/zinc/42/11/82/1037421182.db2.gz SCAKEGHNILZCHV-APWZRJJASA-N 2 1 381.499 3.792 20 0 GHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246533427 1037467711 /nfs/dbraw/zinc/46/77/11/1037467711.db2.gz CRCRYUCBAGSEJC-MOPGFXCFSA-N 2 1 377.454 3.938 20 0 GHADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CCC[C@H]1C[NH3+] ZINC001246561753 1037479677 /nfs/dbraw/zinc/47/96/77/1037479677.db2.gz LJFRIHYEDWHZBG-FBKNVZDASA-N 2 1 383.580 3.624 20 0 GHADMP C1COC2(CCC(C3CCC([N@H+]4CCC[C@]5(CCC[NH2+]C5)C4)CC3)CC2)O1 ZINC001246609329 1037504047 /nfs/dbraw/zinc/50/40/47/1037504047.db2.gz LLVUITZYNADOMO-VTLFHKLASA-N 2 1 376.585 3.944 20 0 GHADMP Brc1ccc(N2CCC([N@@H+]3CCC[C@@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC001246617269 1037505321 /nfs/dbraw/zinc/50/53/21/1037505321.db2.gz HZRSKCWGBOEXHE-IBGZPJMESA-N 2 1 378.358 3.636 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCC[C@@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC001246617269 1037505338 /nfs/dbraw/zinc/50/53/38/1037505338.db2.gz HZRSKCWGBOEXHE-IBGZPJMESA-N 2 1 378.358 3.636 20 0 GHADMP Brc1cccc2c1C[C@H]([N@@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246628347 1037515603 /nfs/dbraw/zinc/51/56/03/1037515603.db2.gz XJXIHXHDNQGNLK-UYAOXDASSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1cccc2c1C[C@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246628347 1037515611 /nfs/dbraw/zinc/51/56/11/1037515611.db2.gz XJXIHXHDNQGNLK-UYAOXDASSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1cccc2c1C[C@@H]([N@@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246628335 1037516195 /nfs/dbraw/zinc/51/61/95/1037516195.db2.gz XJXIHXHDNQGNLK-AZUAARDMSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1cccc2c1C[C@@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246628335 1037516199 /nfs/dbraw/zinc/51/61/99/1037516199.db2.gz XJXIHXHDNQGNLK-AZUAARDMSA-N 2 1 397.360 3.995 20 0 GHADMP [NH3+][C@H]1[C@H]2C[N@@H+]([C@@H]3CC[C@]4(c5ccccc5)CC[NH+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661802 1037533681 /nfs/dbraw/zinc/53/36/81/1037533681.db2.gz LODDRRYEOPGXCE-DIVFVBEMSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@H]1[C@H]2C[NH+]([C@@H]3CC[C@]4(c5ccccc5)CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661802 1037533696 /nfs/dbraw/zinc/53/36/96/1037533696.db2.gz LODDRRYEOPGXCE-DIVFVBEMSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@H]1[C@H]2C[NH+]([C@@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661802 1037533712 /nfs/dbraw/zinc/53/37/12/1037533712.db2.gz LODDRRYEOPGXCE-DIVFVBEMSA-N 2 1 387.571 3.640 20 0 GHADMP [NH3+][C@H]1[C@H]2CN([C@@H]3CC[C@]4(c5ccccc5)CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661802 1037533720 /nfs/dbraw/zinc/53/37/20/1037533720.db2.gz LODDRRYEOPGXCE-DIVFVBEMSA-N 2 1 387.571 3.640 20 0 GHADMP [NH3+][C@H]1[C@H]2CN([C@@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]12 ZINC001246661802 1037533734 /nfs/dbraw/zinc/53/37/34/1037533734.db2.gz LODDRRYEOPGXCE-DIVFVBEMSA-N 2 1 387.571 3.640 20 0 GHADMP CC[C@@H]1CC([NH+]2CCN(c3ccc(Br)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246696354 1037553586 /nfs/dbraw/zinc/55/35/86/1037553586.db2.gz LSIDDFCUGCAUES-IAGOWNOFSA-N 2 1 380.374 3.880 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@H+]([C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)CC2 ZINC001246700985 1037555284 /nfs/dbraw/zinc/55/52/84/1037555284.db2.gz MHNIXIJHIAAHDH-JLVBRIDZSA-N 2 1 399.560 3.526 20 0 GHADMP CC[C@@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246704039 1037559469 /nfs/dbraw/zinc/55/94/69/1037559469.db2.gz UBYUZYBAIGURSX-PMOLBWCYSA-N 2 1 391.625 3.724 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246714652 1037566779 /nfs/dbraw/zinc/56/67/79/1037566779.db2.gz MYBTYNRZTDMKPJ-JTAQYXEDSA-N 2 1 395.572 3.540 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)C[C@H](CC)[NH2+]1 ZINC001246720443 1037569198 /nfs/dbraw/zinc/56/91/98/1037569198.db2.gz MCUBWRVHJLWUCL-AANQFLQQSA-N 2 1 397.607 3.853 20 0 GHADMP CC[C@H]1[N@@H+](C2C[C@H](CC)[NH2+][C@@H](CC)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246721966 1037572813 /nfs/dbraw/zinc/57/28/13/1037572813.db2.gz MCMLXPFZFPATNX-VKUXKFIQSA-N 2 1 375.601 3.941 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246745393 1037586405 /nfs/dbraw/zinc/58/64/05/1037586405.db2.gz LJVYVXVQVIQQQG-NWZJSZKRSA-N 2 1 393.506 3.522 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246745393 1037586413 /nfs/dbraw/zinc/58/64/13/1037586413.db2.gz LJVYVXVQVIQQQG-NWZJSZKRSA-N 2 1 393.506 3.522 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246745387 1037586513 /nfs/dbraw/zinc/58/65/13/1037586513.db2.gz LJVYVXVQVIQQQG-HQAQVQPGSA-N 2 1 393.506 3.522 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246745387 1037586517 /nfs/dbraw/zinc/58/65/17/1037586517.db2.gz LJVYVXVQVIQQQG-HQAQVQPGSA-N 2 1 393.506 3.522 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246770796 1037612179 /nfs/dbraw/zinc/61/21/79/1037612179.db2.gz UTFLLNYOUURROH-ADYITMSISA-N 2 1 378.601 3.983 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)C[C@@H](CC)[NH2+]1 ZINC001246814259 1037647286 /nfs/dbraw/zinc/64/72/86/1037647286.db2.gz XJRWIBQCFLSJQU-KHCICDEESA-N 2 1 381.564 3.696 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246820576 1037652466 /nfs/dbraw/zinc/65/24/66/1037652466.db2.gz WMUBBHODXFJJLL-QFBILLFUSA-N 2 1 382.474 3.535 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]1 ZINC001246822006 1037653038 /nfs/dbraw/zinc/65/30/38/1037653038.db2.gz KXEUSNBSYMFNRP-HNNXBMFYSA-N 2 1 378.973 3.992 20 0 GHADMP COc1ccc(C(=O)C2CC[NH+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246832222 1037663086 /nfs/dbraw/zinc/66/30/86/1037663086.db2.gz FWJYNPQPQJIBIC-GOTSBHOMSA-N 2 1 392.543 3.953 20 0 GHADMP CCCC[C@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)CC[NH2+]1 ZINC001246832130 1037663287 /nfs/dbraw/zinc/66/32/87/1037663287.db2.gz ANBHJXLTKRMGEX-DXBBTUNJSA-N 2 1 385.552 3.783 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)c1 ZINC001246838099 1037665866 /nfs/dbraw/zinc/66/58/66/1037665866.db2.gz AYCUNPCVLMIQNG-XUZZJYLKSA-N 2 1 397.538 3.754 20 0 GHADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246839768 1037668489 /nfs/dbraw/zinc/66/84/89/1037668489.db2.gz LVDDFNLXDIBKMC-GVAUOCQISA-N 2 1 377.576 3.946 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246879386 1037694323 /nfs/dbraw/zinc/69/43/23/1037694323.db2.gz MVOJLSJDNHNCKT-VTYHHJSWSA-N 2 1 381.568 3.612 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@H]2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC001246907588 1037719451 /nfs/dbraw/zinc/71/94/51/1037719451.db2.gz FFUOTVRTYGQIPG-ROUUACIJSA-N 2 1 380.374 3.656 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246917209 1037723769 /nfs/dbraw/zinc/72/37/69/1037723769.db2.gz WOJGVVAZDCMBTM-SLFFLAALSA-N 2 1 376.516 3.890 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246939285 1037744564 /nfs/dbraw/zinc/74/45/64/1037744564.db2.gz AKXGSMMKXDOCIU-NRFANRHFSA-N 2 1 391.531 3.638 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246950681 1037752117 /nfs/dbraw/zinc/75/21/17/1037752117.db2.gz DJTBMCXRMSMIIV-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246952692 1037758577 /nfs/dbraw/zinc/75/85/77/1037758577.db2.gz MBCGUGMBMCBWAY-OYDLWJJNSA-N 2 1 378.564 3.689 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953292 1037759660 /nfs/dbraw/zinc/75/96/60/1037759660.db2.gz AXDAKADJWVNFAA-CRAIPNDOSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955543 1037763942 /nfs/dbraw/zinc/76/39/42/1037763942.db2.gz NSDZIQGOYIXQCW-CRAIPNDOSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246959964 1037777155 /nfs/dbraw/zinc/77/71/55/1037777155.db2.gz KHUVXNTZGQSKBS-QFBILLFUSA-N 2 1 392.515 3.510 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3cccc(F)c3C2)c1 ZINC001246960397 1037780751 /nfs/dbraw/zinc/78/07/51/1037780751.db2.gz VJALKPSRBVPQDQ-OAQYLSRUSA-N 2 1 396.506 3.724 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N(Cc2ccncc2)[C@H]2CC[NH2+]C2)C3)cc1 ZINC001246967946 1037790125 /nfs/dbraw/zinc/79/01/25/1037790125.db2.gz VLBZSCOQSPHLHR-NDBXHCKUSA-N 2 1 390.575 3.831 20 0 GHADMP CN([C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001246969509 1037793134 /nfs/dbraw/zinc/79/31/34/1037793134.db2.gz PWDPERLEGMRKIQ-ISJGIBHGSA-N 2 1 377.576 3.946 20 0 GHADMP FC(F)(F)c1cc(O[C@@H]2CCC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)ncn1 ZINC001246970632 1037794842 /nfs/dbraw/zinc/79/48/42/1037794842.db2.gz POLIPOYNCWKHJT-KOHRHEQBSA-N 2 1 398.473 3.651 20 0 GHADMP FC(F)(F)c1ccc([C@H]2CNCC[N@@H+]2C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001246975220 1037799408 /nfs/dbraw/zinc/79/94/08/1037799408.db2.gz NPHSDNJXRSMIFQ-HXUWFJFHSA-N 2 1 390.453 3.716 20 0 GHADMP FC(F)(F)c1ccc([C@H]2CNCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001246975220 1037799432 /nfs/dbraw/zinc/79/94/32/1037799432.db2.gz NPHSDNJXRSMIFQ-HXUWFJFHSA-N 2 1 390.453 3.716 20 0 GHADMP c1ccc(COc2cccc(N3CC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)c2)cc1 ZINC001246985739 1037811849 /nfs/dbraw/zinc/81/18/49/1037811849.db2.gz PTZULBLVGDPPFL-IUTQVRIDSA-N 2 1 377.532 3.671 20 0 GHADMP COc1cc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001232350796 1038128657 /nfs/dbraw/zinc/12/86/57/1038128657.db2.gz JXALWNMGIHLGDV-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP [NH3+][C@@H](Cc1ccc(F)c(F)c1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247663833 1038301612 /nfs/dbraw/zinc/30/16/12/1038301612.db2.gz UHKFYADKYCEMST-DBEXCURXSA-N 2 1 397.429 3.719 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c(Cl)c3ccccc3n(C)c2=O)CC1 ZINC001232642616 1038429611 /nfs/dbraw/zinc/42/96/11/1038429611.db2.gz RFNGMPPNWKGTNF-UHFFFAOYSA-N 2 1 375.944 3.744 20 0 GHADMP c1ccn(-c2ccccc2C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001232910740 1038708159 /nfs/dbraw/zinc/70/81/59/1038708159.db2.gz YRFSAQHQCVWPDK-UHFFFAOYSA-N 2 1 389.547 3.718 20 0 GHADMP c1nc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)cc2o1 ZINC001232941250 1038721245 /nfs/dbraw/zinc/72/12/45/1038721245.db2.gz NYDWXOAEGXRBCE-QPPBQGQZSA-N 2 1 395.547 3.788 20 0 GHADMP c1nc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)cc2o1 ZINC001232941250 1038721254 /nfs/dbraw/zinc/72/12/54/1038721254.db2.gz NYDWXOAEGXRBCE-QPPBQGQZSA-N 2 1 395.547 3.788 20 0 GHADMP c1nc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)cc2o1 ZINC001232941250 1038721259 /nfs/dbraw/zinc/72/12/59/1038721259.db2.gz NYDWXOAEGXRBCE-QPPBQGQZSA-N 2 1 395.547 3.788 20 0 GHADMP c1nc2ccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)cc2o1 ZINC001232941250 1038721268 /nfs/dbraw/zinc/72/12/68/1038721268.db2.gz NYDWXOAEGXRBCE-QPPBQGQZSA-N 2 1 395.547 3.788 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cnc(C)cc1C)CC2 ZINC001233006587 1038766055 /nfs/dbraw/zinc/76/60/55/1038766055.db2.gz RBZXFAPVQGNLAW-QHCPKHFHSA-N 2 1 394.563 3.597 20 0 GHADMP CCOC[C@@H](O)C[N@H+]1CCCCC2(C1)CCC[NH+](Cc1ccccc1)CCC2 ZINC001252020427 1038815861 /nfs/dbraw/zinc/81/58/61/1038815861.db2.gz AWEMQNZWVTZJIT-QHCPKHFHSA-N 2 1 388.596 3.932 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(C)c[nH]c2=O)CC3)c1 ZINC001233191807 1038960394 /nfs/dbraw/zinc/96/03/94/1038960394.db2.gz FQLUNQALSTUWLF-UHFFFAOYSA-N 2 1 381.520 3.592 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383843 1038969342 /nfs/dbraw/zinc/96/93/42/1038969342.db2.gz XXDBIQWAFXAEJN-BDTNDASRSA-N 2 1 382.548 3.918 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383843 1038969343 /nfs/dbraw/zinc/96/93/43/1038969343.db2.gz XXDBIQWAFXAEJN-BDTNDASRSA-N 2 1 382.548 3.918 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC001252383843 1038969351 /nfs/dbraw/zinc/96/93/51/1038969351.db2.gz XXDBIQWAFXAEJN-BDTNDASRSA-N 2 1 382.548 3.918 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC001252412318 1038989810 /nfs/dbraw/zinc/98/98/10/1038989810.db2.gz XGHIQTJZXNFYIO-DNVJHFABSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001252412318 1038989812 /nfs/dbraw/zinc/98/98/12/1038989812.db2.gz XGHIQTJZXNFYIO-DNVJHFABSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@H]3C2)cc1 ZINC001233292601 1039078801 /nfs/dbraw/zinc/07/88/01/1039078801.db2.gz REKYXNKWCJOMRI-WOJBJXKFSA-N 2 1 389.499 3.518 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CN(C(=O)OCc4ccccc4)C3)CC2)C1 ZINC001462332152 1070177955 /nfs/dbraw/zinc/17/79/55/1070177955.db2.gz CWEVFGKAZUTVGG-GCJKJVERSA-N 2 1 385.552 3.640 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc4nccn42)CC3)c1 ZINC001233362297 1039189054 /nfs/dbraw/zinc/18/90/54/1039189054.db2.gz XAVXJENQBUPGTB-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001252843597 1039203145 /nfs/dbraw/zinc/20/31/45/1039203145.db2.gz WJJRXUJQSSZOJU-DHIUTWEWSA-N 2 1 398.522 3.615 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]nc2-c2cc(F)cc(F)c2)CC1 ZINC001233403649 1039247962 /nfs/dbraw/zinc/24/79/62/1039247962.db2.gz INTDLVZXVKUVCR-UHFFFAOYSA-N 2 1 383.446 3.797 20 0 GHADMP O[C@@]1(C[N@@H+]2CCC[C@@H]2c2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)C1 ZINC001252927009 1039266999 /nfs/dbraw/zinc/26/69/99/1039266999.db2.gz DHBWDZRMIBOUSI-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[N@H+]2CCC[C@@H]2c2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)C1 ZINC001252927009 1039267001 /nfs/dbraw/zinc/26/70/01/1039267001.db2.gz DHBWDZRMIBOUSI-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@@H]2c2cc3ccccc3[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001252927009 1039267006 /nfs/dbraw/zinc/26/70/06/1039267006.db2.gz DHBWDZRMIBOUSI-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@@H]2c2cc3ccccc3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252927009 1039267009 /nfs/dbraw/zinc/26/70/09/1039267009.db2.gz DHBWDZRMIBOUSI-RPWUZVMVSA-N 2 1 375.516 3.942 20 0 GHADMP C[C@@H]1OC2(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001252938835 1039282305 /nfs/dbraw/zinc/28/23/05/1039282305.db2.gz YWRVCEBHCGQSAW-RDPSFJRHSA-N 2 1 392.543 3.706 20 0 GHADMP C[C@@H]1OC2(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001252938835 1039282315 /nfs/dbraw/zinc/28/23/15/1039282315.db2.gz YWRVCEBHCGQSAW-RDPSFJRHSA-N 2 1 392.543 3.706 20 0 GHADMP Oc1ccc([C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949309 1039293141 /nfs/dbraw/zinc/29/31/41/1039293141.db2.gz JOORSBJCRXTGIR-JWQCQUIFSA-N 2 1 388.511 3.708 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001233605542 1039476200 /nfs/dbraw/zinc/47/62/00/1039476200.db2.gz HMLJQXCILXVRBS-FYYLOGMGSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001233605542 1039476213 /nfs/dbraw/zinc/47/62/13/1039476213.db2.gz HMLJQXCILXVRBS-FYYLOGMGSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001233605542 1039476220 /nfs/dbraw/zinc/47/62/20/1039476220.db2.gz HMLJQXCILXVRBS-FYYLOGMGSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001233605542 1039476233 /nfs/dbraw/zinc/47/62/33/1039476233.db2.gz HMLJQXCILXVRBS-FYYLOGMGSA-N 2 1 392.547 3.527 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC001253412656 1039607983 /nfs/dbraw/zinc/60/79/83/1039607983.db2.gz ODLMWYNQOSDPJD-SFTDATJTSA-N 2 1 390.955 3.937 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001253832640 1039839941 /nfs/dbraw/zinc/83/99/41/1039839941.db2.gz UXMINLWYFPDQQA-WXFUMESZSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001253832640 1039839967 /nfs/dbraw/zinc/83/99/67/1039839967.db2.gz UXMINLWYFPDQQA-WXFUMESZSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001253832640 1039839992 /nfs/dbraw/zinc/83/99/92/1039839992.db2.gz UXMINLWYFPDQQA-WXFUMESZSA-N 2 1 394.559 3.579 20 0 GHADMP OC1(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254035758 1039967824 /nfs/dbraw/zinc/96/78/24/1039967824.db2.gz BDGIVXUJYRNAFS-XMMPIXPASA-N 2 1 378.560 3.968 20 0 GHADMP OC1(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254040107 1039969949 /nfs/dbraw/zinc/96/99/49/1039969949.db2.gz OEXHDNMCULOTIY-XMMPIXPASA-N 2 1 394.559 3.695 20 0 GHADMP Cc1cccc(NCCNC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001254123780 1039999216 /nfs/dbraw/zinc/99/92/16/1039999216.db2.gz IOEWDJKEDSGFFT-NRFANRHFSA-N 2 1 395.551 3.546 20 0 GHADMP Cc1cccc(NCCNC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001254123780 1039999223 /nfs/dbraw/zinc/99/92/23/1039999223.db2.gz IOEWDJKEDSGFFT-NRFANRHFSA-N 2 1 395.551 3.546 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254268573 1040113275 /nfs/dbraw/zinc/11/32/75/1040113275.db2.gz FZPLHDRKWYYBLS-IBGZPJMESA-N 2 1 386.337 3.878 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254271789 1040117325 /nfs/dbraw/zinc/11/73/25/1040117325.db2.gz XSVSNNWOFVIVSV-UWHLTILDSA-N 2 1 383.333 3.636 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254271789 1040117334 /nfs/dbraw/zinc/11/73/34/1040117334.db2.gz XSVSNNWOFVIVSV-UWHLTILDSA-N 2 1 383.333 3.636 20 0 GHADMP CCOC(=O)C[NH+]1CCC(n2cc(C3CC[NH2+]CC3)c3cc(C)ccc32)CC1 ZINC001254412784 1040218293 /nfs/dbraw/zinc/21/82/93/1040218293.db2.gz UFMVXBJSVHGGKW-UHFFFAOYSA-N 2 1 383.536 3.617 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](C1CCc3ccccc3CC1)CC2 ZINC001254458748 1040245587 /nfs/dbraw/zinc/24/55/87/1040245587.db2.gz COAUJNVXLAQSFZ-UHFFFAOYSA-N 2 1 378.564 3.675 20 0 GHADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001254495247 1040281127 /nfs/dbraw/zinc/28/11/27/1040281127.db2.gz SNYCMQOIOXBWEB-QFIPXVFZSA-N 2 1 398.595 3.969 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC3(CC[NH2+]CC3)c3c2cccc3-c2cccnc2)CC1 ZINC001254522194 1040295933 /nfs/dbraw/zinc/29/59/33/1040295933.db2.gz MPBNRVBEDGYZDL-FQEVSTJZSA-N 2 1 376.548 3.674 20 0 GHADMP CCOC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC001234947271 1040449792 /nfs/dbraw/zinc/44/97/92/1040449792.db2.gz NDYYCSVQLOCQBF-UHFFFAOYSA-N 2 1 381.520 3.680 20 0 GHADMP CC(C)C[N@@H+]([C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254693278 1040452232 /nfs/dbraw/zinc/45/22/32/1040452232.db2.gz IRXGLYQMHLKYSO-KZNAEPCWSA-N 2 1 397.629 3.709 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC001234964904 1040469565 /nfs/dbraw/zinc/46/95/65/1040469565.db2.gz ODCGNJKGFZBJRA-UHFFFAOYSA-N 2 1 396.531 3.826 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)s2)c1 ZINC001234972568 1040475297 /nfs/dbraw/zinc/47/52/97/1040475297.db2.gz CYZYYKBIVGWHHN-RHSMWYFYSA-N 2 1 382.451 3.854 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)s2)c1 ZINC001234972568 1040475302 /nfs/dbraw/zinc/47/53/02/1040475302.db2.gz CYZYYKBIVGWHHN-RHSMWYFYSA-N 2 1 382.451 3.854 20 0 GHADMP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235022242 1040514274 /nfs/dbraw/zinc/51/42/74/1040514274.db2.gz MPVSOPNQDKWBFG-QHCPKHFHSA-N 2 1 384.495 3.703 20 0 GHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c1 ZINC001235022242 1040514293 /nfs/dbraw/zinc/51/42/93/1040514293.db2.gz MPVSOPNQDKWBFG-QHCPKHFHSA-N 2 1 384.495 3.703 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235055287 1040545726 /nfs/dbraw/zinc/54/57/26/1040545726.db2.gz UPHFPJUFTGYLID-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235055287 1040545737 /nfs/dbraw/zinc/54/57/37/1040545737.db2.gz UPHFPJUFTGYLID-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)Oc1cccc(Br)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094431 1040585208 /nfs/dbraw/zinc/58/52/08/1040585208.db2.gz XHZMXVVCPUWFRL-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP FC(F)(F)Oc1cccc(Br)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094431 1040585238 /nfs/dbraw/zinc/58/52/38/1040585238.db2.gz XHZMXVVCPUWFRL-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156968 1040650725 /nfs/dbraw/zinc/65/07/25/1040650725.db2.gz OLCUJSRJDCENJF-SFHVURJKSA-N 2 1 398.332 3.954 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235160558 1040653817 /nfs/dbraw/zinc/65/38/17/1040653817.db2.gz PQRJBYOGKWZIQJ-GOSISDBHSA-N 2 1 395.341 3.590 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001235181628 1040671493 /nfs/dbraw/zinc/67/14/93/1040671493.db2.gz NMXDSQLKZLDTMW-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP C[N@H+](CCCc1c(F)cccc1Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462482600 1070290576 /nfs/dbraw/zinc/29/05/76/1070290576.db2.gz WAWVOTQFLALAKD-JOCHJYFZSA-N 2 1 390.930 3.981 20 0 GHADMP C[N@@H+](CCCc1c(F)cccc1Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462482600 1070290588 /nfs/dbraw/zinc/29/05/88/1070290588.db2.gz WAWVOTQFLALAKD-JOCHJYFZSA-N 2 1 390.930 3.981 20 0 GHADMP C[NH+](CCCc1c(F)cccc1Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462482600 1070290607 /nfs/dbraw/zinc/29/06/07/1070290607.db2.gz WAWVOTQFLALAKD-JOCHJYFZSA-N 2 1 390.930 3.981 20 0 GHADMP C[NH+](CCCc1c(F)cccc1Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462482600 1070290619 /nfs/dbraw/zinc/29/06/19/1070290619.db2.gz WAWVOTQFLALAKD-JOCHJYFZSA-N 2 1 390.930 3.981 20 0 GHADMP COc1cc(Br)cc(OC)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235240284 1040720781 /nfs/dbraw/zinc/72/07/81/1040720781.db2.gz LIEQYMBLNZUOBA-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+][C@H]4[C@@H]5COC[C@@H]54)C[C@@H]23)cc1 ZINC001255069204 1040762925 /nfs/dbraw/zinc/76/29/25/1040762925.db2.gz IABVPHKTLJZHGE-XOGRSFEHSA-N 2 1 388.555 3.986 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1sccc1Cl)C2 ZINC001235325054 1040795201 /nfs/dbraw/zinc/79/52/01/1040795201.db2.gz OHCDEOGMZJHMPL-QFBILLFUSA-N 2 1 382.957 3.546 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255127157 1040819915 /nfs/dbraw/zinc/81/99/15/1040819915.db2.gz RGDBJQWURVSXKJ-WBDAEOGXSA-N 2 1 378.516 3.687 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(Cl)c(Cl)cc3C)C[C@@H]1CC[NH2+]CC2 ZINC001235348142 1040823795 /nfs/dbraw/zinc/82/37/95/1040823795.db2.gz BADMWQOZOFTFJA-KXBFYZLASA-N 2 1 385.335 3.667 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1OC(F)F ZINC001235350389 1040827003 /nfs/dbraw/zinc/82/70/03/1040827003.db2.gz GWJVICDLGYQLGL-XMSQKQJNSA-N 2 1 388.458 3.876 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1OC(F)F ZINC001235350389 1040827017 /nfs/dbraw/zinc/82/70/17/1040827017.db2.gz GWJVICDLGYQLGL-XMSQKQJNSA-N 2 1 388.458 3.876 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)cn2C ZINC001235351477 1040830165 /nfs/dbraw/zinc/83/01/65/1040830165.db2.gz PPINHDCCMJSBMF-ISKFKSNPSA-N 2 1 375.516 3.766 20 0 GHADMP N[C@H]([C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136035 1040836988 /nfs/dbraw/zinc/83/69/88/1040836988.db2.gz LQXVMMDGLZHZQJ-UHZRXMQZSA-N 2 1 381.486 3.784 20 0 GHADMP N[C@H]([C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136035 1040837003 /nfs/dbraw/zinc/83/70/03/1040837003.db2.gz LQXVMMDGLZHZQJ-UHZRXMQZSA-N 2 1 381.486 3.784 20 0 GHADMP N[C@H]([C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136035 1040837015 /nfs/dbraw/zinc/83/70/15/1040837015.db2.gz LQXVMMDGLZHZQJ-UHZRXMQZSA-N 2 1 381.486 3.784 20 0 GHADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137794 1040842654 /nfs/dbraw/zinc/84/26/54/1040842654.db2.gz XOCGHHHZSQVEEJ-GPJHCHHRSA-N 2 1 383.580 3.762 20 0 GHADMP CCN(CC)C(=O)[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137794 1040842666 /nfs/dbraw/zinc/84/26/66/1040842666.db2.gz XOCGHHHZSQVEEJ-GPJHCHHRSA-N 2 1 383.580 3.762 20 0 GHADMP CCN(CC)C(=O)[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137794 1040842681 /nfs/dbraw/zinc/84/26/81/1040842681.db2.gz XOCGHHHZSQVEEJ-GPJHCHHRSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@H]21 ZINC001255138834 1040843634 /nfs/dbraw/zinc/84/36/34/1040843634.db2.gz HPZGPKSZSKOSJR-URYYLNOGSA-N 2 1 395.591 3.761 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@H]21 ZINC001255138834 1040843648 /nfs/dbraw/zinc/84/36/48/1040843648.db2.gz HPZGPKSZSKOSJR-URYYLNOGSA-N 2 1 395.591 3.761 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@H]21 ZINC001255138834 1040843659 /nfs/dbraw/zinc/84/36/59/1040843659.db2.gz HPZGPKSZSKOSJR-URYYLNOGSA-N 2 1 395.591 3.761 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255139327 1040846143 /nfs/dbraw/zinc/84/61/43/1040846143.db2.gz KMDPUQIZOYVHND-PDFGSZSQSA-N 2 1 387.527 3.778 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255139327 1040846162 /nfs/dbraw/zinc/84/61/62/1040846162.db2.gz KMDPUQIZOYVHND-PDFGSZSQSA-N 2 1 387.527 3.778 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255139327 1040846171 /nfs/dbraw/zinc/84/61/71/1040846171.db2.gz KMDPUQIZOYVHND-PDFGSZSQSA-N 2 1 387.527 3.778 20 0 GHADMP Oc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001255148335 1040864439 /nfs/dbraw/zinc/86/44/39/1040864439.db2.gz UUKXDCOSVWACQD-NUNAXRQHSA-N 2 1 377.532 3.710 20 0 GHADMP Oc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255148335 1040864450 /nfs/dbraw/zinc/86/44/50/1040864450.db2.gz UUKXDCOSVWACQD-NUNAXRQHSA-N 2 1 377.532 3.710 20 0 GHADMP CC(C)C(=O)N(C)C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255151219 1040869824 /nfs/dbraw/zinc/86/98/24/1040869824.db2.gz UCEZGEXGYFIQKB-NUNAXRQHSA-N 2 1 383.580 3.761 20 0 GHADMP COc1cc(O[C@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ccn1 ZINC001255150720 1040871138 /nfs/dbraw/zinc/87/11/38/1040871138.db2.gz XYJYWWPEBCPMLW-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ccn1 ZINC001255150720 1040871144 /nfs/dbraw/zinc/87/11/44/1040871144.db2.gz XYJYWWPEBCPMLW-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ccn1 ZINC001255150720 1040871150 /nfs/dbraw/zinc/87/11/50/1040871150.db2.gz XYJYWWPEBCPMLW-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP Fc1cnccc1N(C1CC[NH2+]CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255151261 1040873079 /nfs/dbraw/zinc/87/30/79/1040873079.db2.gz VCFMOZGNYLFEKK-KOUNCHBCSA-N 2 1 394.538 3.975 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235370727 1040873586 /nfs/dbraw/zinc/87/35/86/1040873586.db2.gz OZGHOXVBWZUJIQ-NOZRDPDXSA-N 2 1 394.559 3.855 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1 ZINC001235378737 1040895875 /nfs/dbraw/zinc/89/58/75/1040895875.db2.gz JEALBLWEWHHYDN-KIFXHHALSA-N 2 1 377.532 3.716 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255193294 1040900163 /nfs/dbraw/zinc/90/01/63/1040900163.db2.gz WEDGILJKMULNEU-XMFOMAEPSA-N 2 1 397.563 3.924 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001255199621 1040903072 /nfs/dbraw/zinc/90/30/72/1040903072.db2.gz XMROROGMNAKJRA-WKCHPHFGSA-N 2 1 385.552 3.783 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212490 1040908631 /nfs/dbraw/zinc/90/86/31/1040908631.db2.gz KOSHQHUNTVTLNW-LILXYRQWSA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212490 1040908632 /nfs/dbraw/zinc/90/86/32/1040908632.db2.gz KOSHQHUNTVTLNW-LILXYRQWSA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212490 1040908635 /nfs/dbraw/zinc/90/86/35/1040908635.db2.gz KOSHQHUNTVTLNW-LILXYRQWSA-N 2 1 397.563 3.592 20 0 GHADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)c2)cc1 ZINC001235405150 1040916611 /nfs/dbraw/zinc/91/66/11/1040916611.db2.gz NZPHDPIGFYAEOC-GGAORHGYSA-N 2 1 382.479 3.664 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C2 ZINC001235408062 1040918782 /nfs/dbraw/zinc/91/87/82/1040918782.db2.gz STXWNRPEZNJVHI-WMZOPIPTSA-N 2 1 382.405 3.619 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C2 ZINC001235408062 1040918788 /nfs/dbraw/zinc/91/87/88/1040918788.db2.gz STXWNRPEZNJVHI-WMZOPIPTSA-N 2 1 382.405 3.619 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)cn1 ZINC001235430575 1040931197 /nfs/dbraw/zinc/93/11/97/1040931197.db2.gz IQGDXUDBQMJEQR-HZPDHXFCSA-N 2 1 396.373 3.843 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)oc2c1 ZINC001235431286 1040932388 /nfs/dbraw/zinc/93/23/88/1040932388.db2.gz NJGKNTGMHVZMIK-KBPBESRZSA-N 2 1 378.314 3.802 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432699 1040933894 /nfs/dbraw/zinc/93/38/94/1040933894.db2.gz VGZBOYNMGALROQ-HOTGVXAUSA-N 2 1 396.373 3.843 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432699 1040933906 /nfs/dbraw/zinc/93/39/06/1040933906.db2.gz VGZBOYNMGALROQ-HOTGVXAUSA-N 2 1 396.373 3.843 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001255359414 1040961469 /nfs/dbraw/zinc/96/14/69/1040961469.db2.gz BMBACBPKYUQKBC-SFTDATJTSA-N 2 1 399.579 3.880 20 0 GHADMP O=C(N1CCCCC1)N1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255382470 1040973334 /nfs/dbraw/zinc/97/33/34/1040973334.db2.gz CITUQLYHLLQCKD-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255392212 1040980293 /nfs/dbraw/zinc/98/02/93/1040980293.db2.gz ZFMMOGAQBRFJMJ-FKBYEOEOSA-N 2 1 379.552 3.608 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391785 1040980810 /nfs/dbraw/zinc/98/08/10/1040980810.db2.gz TYNQCRVOCCFIRO-XZOQPEGZSA-N 2 1 380.532 3.978 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+](CCC[NH2+]C2CCCCC2)CC3)cc1 ZINC001235537518 1040980997 /nfs/dbraw/zinc/98/09/97/1040980997.db2.gz NMANTMXZAVTWNW-UHFFFAOYSA-N 2 1 382.527 3.996 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@@H+](CCC[NH2+]C2CCCCC2)CC3)cc1 ZINC001235537518 1040980998 /nfs/dbraw/zinc/98/09/98/1040980998.db2.gz NMANTMXZAVTWNW-UHFFFAOYSA-N 2 1 382.527 3.996 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255400700 1040986167 /nfs/dbraw/zinc/98/61/67/1040986167.db2.gz MPGHMYNSKNYSGW-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+](CCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255400700 1040986169 /nfs/dbraw/zinc/98/61/69/1040986169.db2.gz MPGHMYNSKNYSGW-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP C[NH+](CCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255400700 1040986171 /nfs/dbraw/zinc/98/61/71/1040986171.db2.gz MPGHMYNSKNYSGW-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255401464 1040988079 /nfs/dbraw/zinc/98/80/79/1040988079.db2.gz VJCNTYPWPTYHTK-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255401464 1040988082 /nfs/dbraw/zinc/98/80/82/1040988082.db2.gz VJCNTYPWPTYHTK-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255401464 1040988086 /nfs/dbraw/zinc/98/80/86/1040988086.db2.gz VJCNTYPWPTYHTK-FDFHNCONSA-N 2 1 399.579 3.982 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255401661 1040988819 /nfs/dbraw/zinc/98/88/19/1040988819.db2.gz KEEHWGYHXFDXPR-RDPSFJRHSA-N 2 1 375.516 3.637 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255401661 1040988829 /nfs/dbraw/zinc/98/88/29/1040988829.db2.gz KEEHWGYHXFDXPR-RDPSFJRHSA-N 2 1 375.516 3.637 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255401661 1040988831 /nfs/dbraw/zinc/98/88/31/1040988831.db2.gz KEEHWGYHXFDXPR-RDPSFJRHSA-N 2 1 375.516 3.637 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255402684 1040989826 /nfs/dbraw/zinc/98/98/26/1040989826.db2.gz LUTPYGNUSNKWBX-HSZRJFAPSA-N 2 1 378.564 3.957 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255402684 1040989834 /nfs/dbraw/zinc/98/98/34/1040989834.db2.gz LUTPYGNUSNKWBX-HSZRJFAPSA-N 2 1 378.564 3.957 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255402684 1040989842 /nfs/dbraw/zinc/98/98/42/1040989842.db2.gz LUTPYGNUSNKWBX-HSZRJFAPSA-N 2 1 378.564 3.957 20 0 GHADMP C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404952 1040991838 /nfs/dbraw/zinc/99/18/38/1040991838.db2.gz LTAOQHHIICZPOL-SFTDATJTSA-N 2 1 387.568 3.982 20 0 GHADMP C[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404952 1040991842 /nfs/dbraw/zinc/99/18/42/1040991842.db2.gz LTAOQHHIICZPOL-SFTDATJTSA-N 2 1 387.568 3.982 20 0 GHADMP C[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404952 1040991844 /nfs/dbraw/zinc/99/18/44/1040991844.db2.gz LTAOQHHIICZPOL-SFTDATJTSA-N 2 1 387.568 3.982 20 0 GHADMP CC(C)(C)OC(=O)NCCC1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406439 1040993622 /nfs/dbraw/zinc/99/36/22/1040993622.db2.gz SJNZAJFPFBZOQN-NRFANRHFSA-N 2 1 387.568 3.888 20 0 GHADMP C[NH+](C)[C@@H](Cc1ccccc1)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001255429654 1041028823 /nfs/dbraw/zinc/02/88/23/1041028823.db2.gz YFGLABZCCGSFBS-SFTDATJTSA-N 2 1 376.504 3.905 20 0 GHADMP C[NH+](C)[C@@H](Cc1ccccc1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255429654 1041028854 /nfs/dbraw/zinc/02/88/54/1041028854.db2.gz YFGLABZCCGSFBS-SFTDATJTSA-N 2 1 376.504 3.905 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235611736 1041030656 /nfs/dbraw/zinc/03/06/56/1041030656.db2.gz ODDMDBJGFDOLPO-NRFANRHFSA-N 2 1 375.582 3.879 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235611736 1041030673 /nfs/dbraw/zinc/03/06/73/1041030673.db2.gz ODDMDBJGFDOLPO-NRFANRHFSA-N 2 1 375.582 3.879 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)CC[C@@H]21 ZINC001235634934 1041069541 /nfs/dbraw/zinc/06/95/41/1041069541.db2.gz BNOHAMIQNSPMHU-WBKMXMRLSA-N 2 1 377.523 3.811 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)CC[C@@H]21 ZINC001235634934 1041069560 /nfs/dbraw/zinc/06/95/60/1041069560.db2.gz BNOHAMIQNSPMHU-WBKMXMRLSA-N 2 1 377.523 3.811 20 0 GHADMP CN1CCC[C@@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255477822 1041077349 /nfs/dbraw/zinc/07/73/49/1041077349.db2.gz PAGUZFDUZJNMFC-GUDVDZBRSA-N 2 1 380.374 3.615 20 0 GHADMP c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235644669 1041083986 /nfs/dbraw/zinc/08/39/86/1041083986.db2.gz PGRQIMJOVPTDPT-LOSJGSFVSA-N 2 1 376.544 3.945 20 0 GHADMP C[N@H+]1CCC[C@H](N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)C1 ZINC001255494782 1041089934 /nfs/dbraw/zinc/08/99/34/1041089934.db2.gz VBCIEUQGKFSDHN-QHCPKHFHSA-N 2 1 375.560 3.878 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235679675 1041140493 /nfs/dbraw/zinc/14/04/93/1041140493.db2.gz PWFKALYTRLKDOR-LJQANCHMSA-N 3 1 376.614 3.759 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001235679675 1041140499 /nfs/dbraw/zinc/14/04/99/1041140499.db2.gz PWFKALYTRLKDOR-LJQANCHMSA-N 3 1 376.614 3.759 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001255595675 1041154862 /nfs/dbraw/zinc/15/48/62/1041154862.db2.gz MXHDUXJDTBNMTK-GOSISDBHSA-N 2 1 393.959 3.685 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255610898 1041167788 /nfs/dbraw/zinc/16/77/88/1041167788.db2.gz IDZFPQIGTCGCLJ-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255610898 1041167802 /nfs/dbraw/zinc/16/78/02/1041167802.db2.gz IDZFPQIGTCGCLJ-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001255610898 1041167809 /nfs/dbraw/zinc/16/78/09/1041167809.db2.gz IDZFPQIGTCGCLJ-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@H+]1CC[C@H]2CN(Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521885 1070327016 /nfs/dbraw/zinc/32/70/16/1070327016.db2.gz JVDDDEDAPSEHBR-PZJWPPBQSA-N 2 1 385.552 3.506 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521885 1070327030 /nfs/dbraw/zinc/32/70/30/1070327030.db2.gz JVDDDEDAPSEHBR-PZJWPPBQSA-N 2 1 385.552 3.506 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521885 1070327043 /nfs/dbraw/zinc/32/70/43/1070327043.db2.gz JVDDDEDAPSEHBR-PZJWPPBQSA-N 2 1 385.552 3.506 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521885 1070327059 /nfs/dbraw/zinc/32/70/59/1070327059.db2.gz JVDDDEDAPSEHBR-PZJWPPBQSA-N 2 1 385.552 3.506 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@H]21 ZINC001462521885 1070327078 /nfs/dbraw/zinc/32/70/78/1070327078.db2.gz JVDDDEDAPSEHBR-PZJWPPBQSA-N 2 1 385.552 3.506 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[NH+](C2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CCO3)c1 ZINC001255676319 1041208221 /nfs/dbraw/zinc/20/82/21/1041208221.db2.gz FEPIWIYCHUTSSA-NHEYGOIWSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[NH+](C2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CCO3)c1 ZINC001255676319 1041208236 /nfs/dbraw/zinc/20/82/36/1041208236.db2.gz FEPIWIYCHUTSSA-NHEYGOIWSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001255676319 1041208250 /nfs/dbraw/zinc/20/82/50/1041208250.db2.gz FEPIWIYCHUTSSA-NHEYGOIWSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001255676319 1041208266 /nfs/dbraw/zinc/20/82/66/1041208266.db2.gz FEPIWIYCHUTSSA-NHEYGOIWSA-N 2 1 383.580 3.682 20 0 GHADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2OCc2ccccc2)C1 ZINC001235748844 1041236812 /nfs/dbraw/zinc/23/68/12/1041236812.db2.gz DOESVTHVVONROV-INIZCTEOSA-N 2 1 380.410 3.945 20 0 GHADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2OCc2ccccc2)C1 ZINC001235748844 1041236828 /nfs/dbraw/zinc/23/68/28/1041236828.db2.gz DOESVTHVVONROV-INIZCTEOSA-N 2 1 380.410 3.945 20 0 GHADMP Cc1ccc(SC[C@H](C)[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001255765338 1041281458 /nfs/dbraw/zinc/28/14/58/1041281458.db2.gz KUBFBBQYPSWENA-IBGZPJMESA-N 2 1 384.593 3.826 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+]([C@H](C)CS(=O)(=O)c3ccccc3)CC2)CC1 ZINC001255827740 1041325904 /nfs/dbraw/zinc/32/59/04/1041325904.db2.gz WMESVJCVKSAULX-LJQANCHMSA-N 2 1 392.609 3.683 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235867577 1041400768 /nfs/dbraw/zinc/40/07/68/1041400768.db2.gz OQZHLTGXLUUKSL-YADARESESA-N 2 1 379.548 3.602 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001255917398 1041401003 /nfs/dbraw/zinc/40/10/03/1041401003.db2.gz JCUJYLDRCSZWQU-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001255917398 1041401005 /nfs/dbraw/zinc/40/10/05/1041401005.db2.gz JCUJYLDRCSZWQU-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001255917398 1041401008 /nfs/dbraw/zinc/40/10/08/1041401008.db2.gz JCUJYLDRCSZWQU-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001255917398 1041401009 /nfs/dbraw/zinc/40/10/09/1041401009.db2.gz JCUJYLDRCSZWQU-FKBYEOEOSA-N 2 1 399.579 3.840 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(Oc2ccccc2C(=O)NC(C)C)CC1 ZINC001255968428 1041447744 /nfs/dbraw/zinc/44/77/44/1041447744.db2.gz YGIPBEASFRHGCH-LJQANCHMSA-N 2 1 389.584 3.788 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)s2)cc1 ZINC001235941259 1041447766 /nfs/dbraw/zinc/44/77/66/1041447766.db2.gz VEJINJUELJJCLB-ZIAGYGMSSA-N 2 1 378.339 3.614 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)s2)cc1 ZINC001235941259 1041447773 /nfs/dbraw/zinc/44/77/73/1041447773.db2.gz VEJINJUELJJCLB-ZIAGYGMSSA-N 2 1 378.339 3.614 20 0 GHADMP COCCC[N@@H+](Cc1ccc2occ(Br)c2c1)C1CC[NH2+]CC1 ZINC001235940786 1041448213 /nfs/dbraw/zinc/44/82/13/1041448213.db2.gz ZPWXKELWMVBBGV-UHFFFAOYSA-N 2 1 381.314 3.786 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076229 1041509218 /nfs/dbraw/zinc/50/92/18/1041509218.db2.gz WTWZQVDQETVXLM-MOPGFXCFSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076229 1041509233 /nfs/dbraw/zinc/50/92/33/1041509233.db2.gz WTWZQVDQETVXLM-MOPGFXCFSA-N 2 1 391.600 3.972 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(C2CC[NH+](C4CC4)CC2)CC3)c1 ZINC001256078699 1041512601 /nfs/dbraw/zinc/51/26/01/1041512601.db2.gz QNTYBTYVDQVKNM-UHFFFAOYSA-N 2 1 383.580 3.610 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C2CCN(C4CC4)CC2)CC3)c1 ZINC001256078699 1041512614 /nfs/dbraw/zinc/51/26/14/1041512614.db2.gz QNTYBTYVDQVKNM-UHFFFAOYSA-N 2 1 383.580 3.610 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2CCN(C4CC4)CC2)CC3)c1 ZINC001256078699 1041512619 /nfs/dbraw/zinc/51/26/19/1041512619.db2.gz QNTYBTYVDQVKNM-UHFFFAOYSA-N 2 1 383.580 3.610 20 0 GHADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C(F)(F)F)o3)C2)C1 ZINC001236072367 1041523664 /nfs/dbraw/zinc/52/36/64/1041523664.db2.gz GMTWMBDFRNDAIA-OAHLLOKOSA-N 2 1 379.426 3.573 20 0 GHADMP COc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1F ZINC001462549029 1070353154 /nfs/dbraw/zinc/35/31/54/1070353154.db2.gz RDYFUYXESZGVHC-FQEVSTJZSA-N 2 1 397.494 3.582 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3cccc(Br)c3C2)CC1 ZINC001256138252 1041573517 /nfs/dbraw/zinc/57/35/17/1041573517.db2.gz BQTOWWOSJKBRGF-KRWDZBQOSA-N 2 1 386.337 3.832 20 0 GHADMP C[C@H]([C@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cnc2n1CC[NH2+]CC2 ZINC001236161725 1041583185 /nfs/dbraw/zinc/58/31/85/1041583185.db2.gz QZWHLVNPLYUOFV-DVECYGJZSA-N 2 1 390.531 3.669 20 0 GHADMP C[NH+]1CCC([NH+]2CCC3(CC2)CN(C(=O)OC(C)(C)C)Cc2ccccc23)CC1 ZINC001256202747 1041646294 /nfs/dbraw/zinc/64/62/94/1041646294.db2.gz LQMYMZRMGLSNOF-UHFFFAOYSA-N 2 1 399.579 3.865 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)c[nH]c21 ZINC001236300994 1041664539 /nfs/dbraw/zinc/66/45/39/1041664539.db2.gz UBLSIIHPYIOZTM-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256236214 1041670594 /nfs/dbraw/zinc/67/05/94/1041670594.db2.gz HTINQQATXZVZDL-WGSAOQKQSA-N 2 1 377.504 3.519 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256285420 1041683796 /nfs/dbraw/zinc/68/37/96/1041683796.db2.gz IRKGCSPVCOJCFB-WGSAOQKQSA-N 2 1 388.556 3.553 20 0 GHADMP Cn1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(C(F)(F)F)n1 ZINC001236381173 1041690761 /nfs/dbraw/zinc/69/07/61/1041690761.db2.gz KELHWFGQMWHKMJ-UHFFFAOYSA-N 2 1 384.421 3.580 20 0 GHADMP c1csc(-c2ccccc2C[N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)c1 ZINC001236400715 1041702760 /nfs/dbraw/zinc/70/27/60/1041702760.db2.gz JNZBJGKZAQAGGR-UHFFFAOYSA-N 2 1 399.604 3.549 20 0 GHADMP Clc1ccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236453727 1041718511 /nfs/dbraw/zinc/71/85/11/1041718511.db2.gz FBLNMUHJVHANOI-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236453727 1041718516 /nfs/dbraw/zinc/71/85/16/1041718516.db2.gz FBLNMUHJVHANOI-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP Clc1ccc(C[N@H+](Cc2ccccc2-n2cncn2)C2CC[NH2+]CC2)cc1 ZINC001236455461 1041719533 /nfs/dbraw/zinc/71/95/33/1041719533.db2.gz UXSIBDIVLHRBHQ-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2ccccc2-n2cncn2)C2CC[NH2+]CC2)cc1 ZINC001236455461 1041719538 /nfs/dbraw/zinc/71/95/38/1041719538.db2.gz UXSIBDIVLHRBHQ-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1c[nH]c2cc(Br)ncc12)C1CC[NH2+]CC1 ZINC001236457132 1041720684 /nfs/dbraw/zinc/72/06/84/1041720684.db2.gz JFCCJRQDJWVJDS-UHFFFAOYSA-N 2 1 379.346 3.926 20 0 GHADMP COCCCOc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)ccc1OC ZINC001236457970 1041721787 /nfs/dbraw/zinc/72/17/87/1041721787.db2.gz SCDQKCFTLHWIJX-UHFFFAOYSA-N 2 1 378.557 3.711 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H](C)Cc4ccccn4)CC3)C2)cc1 ZINC001256417663 1041725894 /nfs/dbraw/zinc/72/58/94/1041725894.db2.gz WWUDXBQDVYBTML-OAQYLSRUSA-N 2 1 379.548 3.688 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001236472089 1041731535 /nfs/dbraw/zinc/73/15/35/1041731535.db2.gz MFDRHNPRZMPVBA-VJBWXMMDSA-N 2 1 376.500 3.550 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001236472089 1041731540 /nfs/dbraw/zinc/73/15/40/1041731540.db2.gz MFDRHNPRZMPVBA-VJBWXMMDSA-N 2 1 376.500 3.550 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236505968 1041744857 /nfs/dbraw/zinc/74/48/57/1041744857.db2.gz JEQVIKYLADCPCX-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236505968 1041744864 /nfs/dbraw/zinc/74/48/64/1041744864.db2.gz JEQVIKYLADCPCX-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1OC ZINC001236517680 1041750554 /nfs/dbraw/zinc/75/05/54/1041750554.db2.gz OBCPTISABICBNU-UHFFFAOYSA-N 2 1 386.511 3.948 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236551308 1041759353 /nfs/dbraw/zinc/75/93/53/1041759353.db2.gz CYBXYCUIZMMIBM-HZCBDIJESA-N 2 1 396.531 3.683 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552020 1041759417 /nfs/dbraw/zinc/75/94/17/1041759417.db2.gz FMDMKZDTZNKRRY-MEMLXQNLSA-N 2 1 383.511 3.877 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3cc(Br)ccc3[nH]2)CC2CC2)CC1 ZINC001236552963 1041759904 /nfs/dbraw/zinc/75/99/04/1041759904.db2.gz VPGGBPLWNDSZRQ-SHTZXODSSA-N 2 1 377.330 3.807 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2nc3ccc(Br)cc3[nH]2)CC2CC2)CC1 ZINC001236552963 1041759906 /nfs/dbraw/zinc/75/99/06/1041759906.db2.gz VPGGBPLWNDSZRQ-SHTZXODSSA-N 2 1 377.330 3.807 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2nc3ccc(Br)cc3[nH]2)CC2CC2)CC1 ZINC001236552963 1041759909 /nfs/dbraw/zinc/75/99/09/1041759909.db2.gz VPGGBPLWNDSZRQ-SHTZXODSSA-N 2 1 377.330 3.807 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(CN3CCOCC3)cc2)C2CCCCC2)CC1 ZINC001236565724 1041765024 /nfs/dbraw/zinc/76/50/24/1041765024.db2.gz ODAXIRYNQGVJHM-HCGLCNNCSA-N 2 1 385.596 3.923 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCCCC2)CC1 ZINC001236565724 1041765030 /nfs/dbraw/zinc/76/50/30/1041765030.db2.gz ODAXIRYNQGVJHM-HCGLCNNCSA-N 3 1 385.596 3.923 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCCCC2)CC1 ZINC001236565724 1041765033 /nfs/dbraw/zinc/76/50/33/1041765033.db2.gz ODAXIRYNQGVJHM-HCGLCNNCSA-N 3 1 385.596 3.923 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236570890 1041765886 /nfs/dbraw/zinc/76/58/86/1041765886.db2.gz DFAXBFIWYIBKLN-UAPYVXQJSA-N 3 1 376.614 3.933 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@H](N4CCC([NH3+])CC4)C3)cc2)cc1 ZINC001236621878 1041787442 /nfs/dbraw/zinc/78/74/42/1041787442.db2.gz KUDLPFFTZWSAPR-XMMPIXPASA-N 2 1 378.564 3.760 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462563815 1070369076 /nfs/dbraw/zinc/36/90/76/1070369076.db2.gz IYRICBWXXINVAS-TYPHKJRUSA-N 2 1 385.552 3.954 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462563815 1070369093 /nfs/dbraw/zinc/36/90/93/1070369093.db2.gz IYRICBWXXINVAS-TYPHKJRUSA-N 2 1 385.552 3.954 20 0 GHADMP CCOC(=O)COc1ccccc1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236690996 1041833827 /nfs/dbraw/zinc/83/38/27/1041833827.db2.gz XQSGSIGHXZFLDP-HZCBDIJESA-N 2 1 396.531 3.901 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccc2nsnc2c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710155 1041847230 /nfs/dbraw/zinc/84/72/30/1041847230.db2.gz ONBLNUBTEWMHLK-IYARVYRRSA-N 2 1 382.533 3.972 20 0 GHADMP COc1cc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236779157 1041887322 /nfs/dbraw/zinc/88/73/22/1041887322.db2.gz FUEADJCXPMFKOP-SHTZXODSSA-N 2 1 384.362 3.971 20 0 GHADMP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236964166 1041971332 /nfs/dbraw/zinc/97/13/32/1041971332.db2.gz SKYDJFRSVJXOER-NRFANRHFSA-N 2 1 383.511 3.923 20 0 GHADMP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236964166 1041971333 /nfs/dbraw/zinc/97/13/33/1041971333.db2.gz SKYDJFRSVJXOER-NRFANRHFSA-N 2 1 383.511 3.923 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CC[C@H]4Nc5ccc(Cl)cc5[C@@H]4C3)c2)CC1 ZINC001237252024 1042108651 /nfs/dbraw/zinc/10/86/51/1042108651.db2.gz ZLCVOTWTANXLJS-JTHBVZDNSA-N 2 1 396.966 3.875 20 0 GHADMP c1c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264592 1042113380 /nfs/dbraw/zinc/11/33/80/1042113380.db2.gz JTOJEGLDJYCVCZ-NHCUHLMSSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264592 1042113385 /nfs/dbraw/zinc/11/33/85/1042113385.db2.gz JTOJEGLDJYCVCZ-NHCUHLMSSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264592 1042113387 /nfs/dbraw/zinc/11/33/87/1042113387.db2.gz JTOJEGLDJYCVCZ-NHCUHLMSSA-N 3 1 381.589 3.738 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccccc2NC(=O)C(C)(C)C)CC1 ZINC001237398703 1042190320 /nfs/dbraw/zinc/19/03/20/1042190320.db2.gz IYRUEIVMDKIPGU-UHFFFAOYSA-N 2 1 388.600 3.521 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc3oc4ccccc4c3c2)CCC12C[NH2+]C2 ZINC001237429730 1042204772 /nfs/dbraw/zinc/20/47/72/1042204772.db2.gz IUYAGVVLTMGUAL-IBGZPJMESA-N 2 1 378.472 3.561 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc(C3CC3)s1)CC2 ZINC001237786543 1042369452 /nfs/dbraw/zinc/36/94/52/1042369452.db2.gz OXWCYZHXMKBNJU-KRWDZBQOSA-N 2 1 387.549 3.869 20 0 GHADMP COc1c(Cl)ccc(F)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001238333580 1042559534 /nfs/dbraw/zinc/55/95/34/1042559534.db2.gz DGSWDIJTGLCVMO-UHFFFAOYSA-N 2 1 384.923 3.812 20 0 GHADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC001278238710 1042611578 /nfs/dbraw/zinc/61/15/78/1042611578.db2.gz PZGBDFSLUSIUND-OAQYLSRUSA-N 2 1 381.967 3.761 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cnc(-c3ccccc3)c(C)c2)CC1 ZINC001238614816 1042660292 /nfs/dbraw/zinc/66/02/92/1042660292.db2.gz LXUAMQORYZMBHO-UHFFFAOYSA-N 2 1 380.580 3.907 20 0 GHADMP CSc1ncc(C)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001238714359 1042697773 /nfs/dbraw/zinc/69/77/73/1042697773.db2.gz CZLWXNYTKOFEEI-UHFFFAOYSA-N 2 1 382.577 3.995 20 0 GHADMP CN1CC[NH+](C2(c3ccc(-c4cc(F)c5c(c4)C[N@H+](C)CC5)cc3)CC2)CC1 ZINC001240596582 1042945387 /nfs/dbraw/zinc/94/53/87/1042945387.db2.gz PNDZZIDJMAJUSL-UHFFFAOYSA-N 2 1 379.523 3.717 20 0 GHADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001462674897 1070462709 /nfs/dbraw/zinc/46/27/09/1070462709.db2.gz ZXVLWBBFHAQCCS-JAZQRGJZSA-N 2 1 379.589 3.875 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2OCCc3cn(CC4CC4)nc32)CC[N@@H+]1Cc1ccccc1 ZINC001256524954 1043451572 /nfs/dbraw/zinc/45/15/72/1043451572.db2.gz XLTPXGIEJGZBKL-SXSPYAJSSA-N 2 1 394.563 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2OCCc3cn(CC4CC4)nc32)CC[N@H+]1Cc1ccccc1 ZINC001256524954 1043451590 /nfs/dbraw/zinc/45/15/90/1043451590.db2.gz XLTPXGIEJGZBKL-SXSPYAJSSA-N 2 1 394.563 3.550 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC1COC1 ZINC001256525497 1043453005 /nfs/dbraw/zinc/45/30/05/1043453005.db2.gz CDMUHHQETNOTLY-WIYYLYMNSA-N 2 1 396.531 3.616 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1OC1COC1 ZINC001256525497 1043453016 /nfs/dbraw/zinc/45/30/16/1043453016.db2.gz CDMUHHQETNOTLY-WIYYLYMNSA-N 2 1 396.531 3.616 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256528103 1043458440 /nfs/dbraw/zinc/45/84/40/1043458440.db2.gz XLZTUUSFELOWOK-WMZHIEFXSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256528103 1043458446 /nfs/dbraw/zinc/45/84/46/1043458446.db2.gz XLZTUUSFELOWOK-WMZHIEFXSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256529777 1043460676 /nfs/dbraw/zinc/46/06/76/1043460676.db2.gz FDVOSMFZBYKSPC-PKOBYXMFSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256529777 1043460685 /nfs/dbraw/zinc/46/06/85/1043460685.db2.gz FDVOSMFZBYKSPC-PKOBYXMFSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001256530554 1043460943 /nfs/dbraw/zinc/46/09/43/1043460943.db2.gz NCVGTPKBLMLQPI-DENIHFKCSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256530554 1043460963 /nfs/dbraw/zinc/46/09/63/1043460963.db2.gz NCVGTPKBLMLQPI-DENIHFKCSA-N 2 1 377.532 3.609 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCn1c(N2CCC([NH+](CC)CC)CC2)nnc1C(C)(C)C ZINC001291783838 1043464196 /nfs/dbraw/zinc/46/41/96/1043464196.db2.gz CCWGNMSPJWDWHI-GOSISDBHSA-N 2 1 392.636 3.617 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256540635 1043491124 /nfs/dbraw/zinc/49/11/24/1043491124.db2.gz GTFXHNKTPOVSDV-SIKLNZKXSA-N 2 1 378.564 3.982 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256540635 1043491134 /nfs/dbraw/zinc/49/11/34/1043491134.db2.gz GTFXHNKTPOVSDV-SIKLNZKXSA-N 2 1 378.564 3.982 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542629 1043495534 /nfs/dbraw/zinc/49/55/34/1043495534.db2.gz PNHBUOWCGIDFHS-WSWWRLHASA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542629 1043495555 /nfs/dbraw/zinc/49/55/55/1043495555.db2.gz PNHBUOWCGIDFHS-WSWWRLHASA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542629 1043495566 /nfs/dbraw/zinc/49/55/66/1043495566.db2.gz PNHBUOWCGIDFHS-WSWWRLHASA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542629 1043495582 /nfs/dbraw/zinc/49/55/82/1043495582.db2.gz PNHBUOWCGIDFHS-WSWWRLHASA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[N@@H+]1Cc1ccccc1 ZINC001256545487 1043501942 /nfs/dbraw/zinc/50/19/42/1043501942.db2.gz FMMREXJMCAUTFJ-FPGHNAPASA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[N@H+]1Cc1ccccc1 ZINC001256545487 1043501950 /nfs/dbraw/zinc/50/19/50/1043501950.db2.gz FMMREXJMCAUTFJ-FPGHNAPASA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[NH+]1Cc1ccccc1 ZINC001256545487 1043501963 /nfs/dbraw/zinc/50/19/63/1043501963.db2.gz FMMREXJMCAUTFJ-FPGHNAPASA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)CC[NH+]1Cc1ccccc1 ZINC001256545487 1043501973 /nfs/dbraw/zinc/50/19/73/1043501973.db2.gz FMMREXJMCAUTFJ-FPGHNAPASA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC001256546422 1043507491 /nfs/dbraw/zinc/50/74/91/1043507491.db2.gz LKDQDVXISQLMQE-QTPAZIJBSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC001256546422 1043507500 /nfs/dbraw/zinc/50/75/00/1043507500.db2.gz LKDQDVXISQLMQE-QTPAZIJBSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH+]1Cc1ccccc1 ZINC001256546422 1043507508 /nfs/dbraw/zinc/50/75/08/1043507508.db2.gz LKDQDVXISQLMQE-QTPAZIJBSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH+]1Cc1ccccc1 ZINC001256546422 1043507517 /nfs/dbraw/zinc/50/75/17/1043507517.db2.gz LKDQDVXISQLMQE-QTPAZIJBSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@H]1C[C@@H](n2cc3c(cccc3N3CC[NH2+]CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001256555071 1043522583 /nfs/dbraw/zinc/52/25/83/1043522583.db2.gz SSBRUGYAVICOJR-FPOVZHCZSA-N 2 1 389.547 3.672 20 0 GHADMP COc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256556980 1043528607 /nfs/dbraw/zinc/52/86/07/1043528607.db2.gz KANWQTGFIXKMMS-DENIHFKCSA-N 2 1 394.563 3.702 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256558957 1043531998 /nfs/dbraw/zinc/53/19/98/1043531998.db2.gz WSCPGRNTCCLOAX-NZQKXSOJSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256558957 1043532008 /nfs/dbraw/zinc/53/20/08/1043532008.db2.gz WSCPGRNTCCLOAX-NZQKXSOJSA-N 2 1 395.591 3.764 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256558962 1043532081 /nfs/dbraw/zinc/53/20/81/1043532081.db2.gz WXKYUBKBLUBMME-IRLDBZIGSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256558962 1043532093 /nfs/dbraw/zinc/53/20/93/1043532093.db2.gz WXKYUBKBLUBMME-IRLDBZIGSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256559151 1043533490 /nfs/dbraw/zinc/53/34/90/1043533490.db2.gz YLOKURGSXWRKDM-YLJYHZDGSA-N 2 1 384.499 3.512 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559151 1043533502 /nfs/dbraw/zinc/53/35/02/1043533502.db2.gz YLOKURGSXWRKDM-YLJYHZDGSA-N 2 1 384.499 3.512 20 0 GHADMP Cc1cccc(CN2CC[C@]3(CC[N@H+](C4CC[NH+](C(C)(C)C)CC4)C3)C2=O)c1 ZINC001256570700 1043545362 /nfs/dbraw/zinc/54/53/62/1043545362.db2.gz OJNZXHWUCZQJIV-XMMPIXPASA-N 2 1 383.580 3.682 20 0 GHADMP COc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC001256576540 1043549806 /nfs/dbraw/zinc/54/98/06/1043549806.db2.gz LNGUZKMRHYGFJI-UHFFFAOYSA-N 2 1 388.556 3.544 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587228 1043555725 /nfs/dbraw/zinc/55/57/25/1043555725.db2.gz CDQJAEDWORPIJX-GBXCKJPGSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587228 1043555735 /nfs/dbraw/zinc/55/57/35/1043555735.db2.gz CDQJAEDWORPIJX-GBXCKJPGSA-N 2 1 378.564 3.546 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256600642 1043564826 /nfs/dbraw/zinc/56/48/26/1043564826.db2.gz INYQQRPWZZDLJG-YHBQERECSA-N 2 1 378.564 3.818 20 0 GHADMP Clc1ccc(O[C@@H]2CCC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256695632 1043626604 /nfs/dbraw/zinc/62/66/04/1043626604.db2.gz HOZGRKPHPIMNFA-GZNCHQMQSA-N 2 1 378.944 3.827 20 0 GHADMP CCC[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695636 1043627202 /nfs/dbraw/zinc/62/72/02/1043627202.db2.gz HSWLOLUFOLMUKJ-QNGMFEMESA-N 2 1 387.568 3.677 20 0 GHADMP C[C@H](Cc1ccccc1Br)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001256835171 1043685980 /nfs/dbraw/zinc/68/59/80/1043685980.db2.gz HRNAOPREHWUNLX-MRXNPFEDSA-N 2 1 388.353 3.811 20 0 GHADMP Clc1cnc(N2CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC2)c(Cl)c1 ZINC001256862204 1043707508 /nfs/dbraw/zinc/70/75/08/1043707508.db2.gz KFFJSPXTHRFPFQ-UHFFFAOYSA-N 2 1 392.334 3.574 20 0 GHADMP O=C(c1ccccc1F)N1CCC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256909711 1043734458 /nfs/dbraw/zinc/73/44/58/1043734458.db2.gz VKTUXIYSFVNFOS-IBGZPJMESA-N 2 1 387.543 3.675 20 0 GHADMP O=C(c1ccccc1F)N1CCC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256909711 1043734462 /nfs/dbraw/zinc/73/44/62/1043734462.db2.gz VKTUXIYSFVNFOS-IBGZPJMESA-N 2 1 387.543 3.675 20 0 GHADMP CCC[NH+](CCC)CCCN1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256924172 1043752853 /nfs/dbraw/zinc/75/28/53/1043752853.db2.gz ONRMLQMXMQBAGH-QHCPKHFHSA-N 2 1 378.649 3.523 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1coc2cc(Cl)ccc12 ZINC001292582091 1043795196 /nfs/dbraw/zinc/79/51/96/1043795196.db2.gz IODSFLLCAHWNBD-SFHVURJKSA-N 2 1 391.943 3.503 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001257056917 1043823807 /nfs/dbraw/zinc/82/38/07/1043823807.db2.gz UTBBRTIMNXWNTI-QZTJIDSGSA-N 2 1 376.566 3.768 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001257214753 1043938789 /nfs/dbraw/zinc/93/87/89/1043938789.db2.gz LJVUZCNXSXBMKM-GHTZIAJQSA-N 2 1 383.552 3.530 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001257214753 1043938793 /nfs/dbraw/zinc/93/87/93/1043938793.db2.gz LJVUZCNXSXBMKM-GHTZIAJQSA-N 2 1 383.552 3.530 20 0 GHADMP CC(C)[NH+]1CCC(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001257216992 1043940393 /nfs/dbraw/zinc/94/03/93/1043940393.db2.gz QDCZEZJJPSZBTM-QHCPKHFHSA-N 3 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCC(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001257218089 1043940465 /nfs/dbraw/zinc/94/04/65/1043940465.db2.gz YDRBFZPVPSDEBR-UHFFFAOYSA-N 2 1 382.552 3.538 20 0 GHADMP CC(C)[NH+]1CCC(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001257218089 1043940467 /nfs/dbraw/zinc/94/04/67/1043940467.db2.gz YDRBFZPVPSDEBR-UHFFFAOYSA-N 2 1 382.552 3.538 20 0 GHADMP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC001292966477 1043968095 /nfs/dbraw/zinc/96/80/95/1043968095.db2.gz MUOXGMVTKJOUAW-QFZRFWILSA-N 2 1 393.575 3.533 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C[C@H]3C[C@@H](C1)CN(C(=O)OC(C)(C)C)C3)C2 ZINC001257843461 1044216747 /nfs/dbraw/zinc/21/67/47/1044216747.db2.gz WCDCCFQFSJLCSI-UNRVGPKYSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1C[C@H]3C[C@@H](C1)CN(C(=O)OC(C)(C)C)C3)C2 ZINC001257843461 1044216758 /nfs/dbraw/zinc/21/67/58/1044216758.db2.gz WCDCCFQFSJLCSI-UNRVGPKYSA-N 2 1 377.573 3.627 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC1 ZINC001258011897 1044337518 /nfs/dbraw/zinc/33/75/18/1044337518.db2.gz MICRQQXSILIBSD-UHFFFAOYSA-N 2 1 382.527 3.804 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC1 ZINC001258011897 1044337531 /nfs/dbraw/zinc/33/75/31/1044337531.db2.gz MICRQQXSILIBSD-UHFFFAOYSA-N 2 1 382.527 3.804 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258013390 1044338130 /nfs/dbraw/zinc/33/81/30/1044338130.db2.gz QFEUXLMHAOZMQG-QFIPXVFZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001258013390 1044338143 /nfs/dbraw/zinc/33/81/43/1044338143.db2.gz QFEUXLMHAOZMQG-QFIPXVFZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001258018253 1044343718 /nfs/dbraw/zinc/34/37/18/1044343718.db2.gz ZMGNHQOXEHVVQN-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258062294 1044376276 /nfs/dbraw/zinc/37/62/76/1044376276.db2.gz BOHLKYCDRMMLLH-YXIAPDDASA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258062294 1044376290 /nfs/dbraw/zinc/37/62/90/1044376290.db2.gz BOHLKYCDRMMLLH-YXIAPDDASA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258062294 1044376301 /nfs/dbraw/zinc/37/63/01/1044376301.db2.gz BOHLKYCDRMMLLH-YXIAPDDASA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258062294 1044376314 /nfs/dbraw/zinc/37/63/14/1044376314.db2.gz BOHLKYCDRMMLLH-YXIAPDDASA-N 2 1 375.605 3.912 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258066536 1044378734 /nfs/dbraw/zinc/37/87/34/1044378734.db2.gz REBFFOYPWMRWJA-SSGKUCQKSA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258066536 1044378747 /nfs/dbraw/zinc/37/87/47/1044378747.db2.gz REBFFOYPWMRWJA-SSGKUCQKSA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258066536 1044378765 /nfs/dbraw/zinc/37/87/65/1044378765.db2.gz REBFFOYPWMRWJA-SSGKUCQKSA-N 2 1 379.633 3.708 20 0 GHADMP FC(F)(F)CCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)nn3)(C1)CCC2 ZINC001279076583 1044412706 /nfs/dbraw/zinc/41/27/06/1044412706.db2.gz RSUWUARWAWZCQS-JKSUJKDBSA-N 2 1 376.854 3.997 20 0 GHADMP CCOC(=O)CCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258137124 1044422211 /nfs/dbraw/zinc/42/22/11/1044422211.db2.gz GKONQINZQWIUFP-UHFFFAOYSA-N 2 1 394.559 3.979 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140069 1044425541 /nfs/dbraw/zinc/42/55/41/1044425541.db2.gz QQVOFFPDHHEMAE-BVSLBCMMSA-N 2 1 399.579 3.539 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142948 1044429087 /nfs/dbraw/zinc/42/90/87/1044429087.db2.gz DLDKAGYPDABUSO-HXUWFJFHSA-N 2 1 387.568 3.540 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258142948 1044429089 /nfs/dbraw/zinc/42/90/89/1044429089.db2.gz DLDKAGYPDABUSO-HXUWFJFHSA-N 2 1 387.568 3.540 20 0 GHADMP Cc1cccnc1N1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC001258145720 1044432950 /nfs/dbraw/zinc/43/29/50/1044432950.db2.gz JBFZMCMUCGTQPC-UHFFFAOYSA-N 2 1 378.564 3.609 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258145720 1044432970 /nfs/dbraw/zinc/43/29/70/1044432970.db2.gz JBFZMCMUCGTQPC-UHFFFAOYSA-N 2 1 378.564 3.609 20 0 GHADMP Cc1cccnc1N1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258145720 1044432984 /nfs/dbraw/zinc/43/29/84/1044432984.db2.gz JBFZMCMUCGTQPC-UHFFFAOYSA-N 2 1 378.564 3.609 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001258327436 1044507218 /nfs/dbraw/zinc/50/72/18/1044507218.db2.gz OJYRNPIJINMVAW-MRXNPFEDSA-N 2 1 375.623 3.733 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC001258389435 1044530644 /nfs/dbraw/zinc/53/06/44/1044530644.db2.gz OTPRZYOZXAGYSP-FQEVSTJZSA-N 2 1 381.564 3.554 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCN(C)CC2)cc1 ZINC001258389436 1044530914 /nfs/dbraw/zinc/53/09/14/1044530914.db2.gz OTPRZYOZXAGYSP-HXUWFJFHSA-N 2 1 381.564 3.554 20 0 GHADMP C[C@H](Cc1cccnc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001258626020 1044674754 /nfs/dbraw/zinc/67/47/54/1044674754.db2.gz WNTANJULDBMHLM-UYAOXDASSA-N 2 1 385.577 3.830 20 0 GHADMP CCC[C@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001258656931 1044695552 /nfs/dbraw/zinc/69/55/52/1044695552.db2.gz LCQDUWFNIZWPRL-NHCUHLMSSA-N 2 1 382.552 3.549 20 0 GHADMP CCCC[C@@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001258709187 1044724366 /nfs/dbraw/zinc/72/43/66/1044724366.db2.gz GWSQNZTWBSFSHV-FCHUYYIVSA-N 2 1 396.579 3.939 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746402 1044740832 /nfs/dbraw/zinc/74/08/32/1044740832.db2.gz HSGZGRXGTIBBTR-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746402 1044740836 /nfs/dbraw/zinc/74/08/36/1044740836.db2.gz HSGZGRXGTIBBTR-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746402 1044740843 /nfs/dbraw/zinc/74/08/43/1044740843.db2.gz HSGZGRXGTIBBTR-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746402 1044740849 /nfs/dbraw/zinc/74/08/49/1044740849.db2.gz HSGZGRXGTIBBTR-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001258772389 1044756229 /nfs/dbraw/zinc/75/62/29/1044756229.db2.gz PJXBDYCVGSXIFM-RXVVDRJESA-N 2 1 383.552 3.532 20 0 GHADMP CCC[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC001258777968 1044760637 /nfs/dbraw/zinc/76/06/37/1044760637.db2.gz PONLMLBMXSPRBC-UHFFFAOYSA-N 2 1 397.485 3.774 20 0 GHADMP CC(C)C1CCC([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001258803603 1044768611 /nfs/dbraw/zinc/76/86/11/1044768611.db2.gz DEVOAQZOUSAMFG-LIKPIUCQSA-N 2 1 375.601 3.608 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)C2CC[NH+](CC(C)C)CC2)CC1)CC1CC1 ZINC001295568232 1045055066 /nfs/dbraw/zinc/05/50/66/1045055066.db2.gz OYHSKEYMDAWWNW-UHFFFAOYSA-N 2 1 377.617 3.715 20 0 GHADMP CCc1ccc([C@H]2CN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC[NH2+]2)cc1 ZINC001297009916 1045423462 /nfs/dbraw/zinc/42/34/62/1045423462.db2.gz KTFBIMQESAARRU-OAQYLSRUSA-N 2 1 391.515 3.844 20 0 GHADMP CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000567613564 1046063901 /nfs/dbraw/zinc/06/39/01/1046063901.db2.gz CEZWHJHQNOMXLF-DHIUTWEWSA-N 2 1 379.548 3.551 20 0 GHADMP CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000567613564 1046063915 /nfs/dbraw/zinc/06/39/15/1046063915.db2.gz CEZWHJHQNOMXLF-DHIUTWEWSA-N 2 1 379.548 3.551 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262257832 1046222066 /nfs/dbraw/zinc/22/20/66/1046222066.db2.gz UDTLZNYBTQAYEV-RDGPPVDQSA-N 2 1 379.589 3.922 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001302479369 1046951246 /nfs/dbraw/zinc/95/12/46/1046951246.db2.gz YFRFVXHOYJVXIP-GOTSBHOMSA-N 2 1 383.580 3.622 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001263801284 1047142236 /nfs/dbraw/zinc/14/22/36/1047142236.db2.gz WJJMPSXSMCAKLR-PJEZACDQSA-N 2 1 386.584 3.726 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606660115 1047327184 /nfs/dbraw/zinc/32/71/84/1047327184.db2.gz QOHXSSVNVVRZLW-DHIUTWEWSA-N 2 1 398.595 3.701 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@H+]1C1CCCC1 ZINC001303541119 1047420519 /nfs/dbraw/zinc/42/05/19/1047420519.db2.gz WSGQOGQKZBYXCA-QUCCMNQESA-N 2 1 387.543 3.513 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC[NH+]1C1CCCC1 ZINC001303541119 1047420529 /nfs/dbraw/zinc/42/05/29/1047420529.db2.gz WSGQOGQKZBYXCA-QUCCMNQESA-N 2 1 387.543 3.513 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[NH+]1C1CCCC1 ZINC001303541119 1047420531 /nfs/dbraw/zinc/42/05/31/1047420531.db2.gz WSGQOGQKZBYXCA-QUCCMNQESA-N 2 1 387.543 3.513 20 0 GHADMP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(Cl)c3Cl)(C1)CCC2 ZINC001279201598 1047741918 /nfs/dbraw/zinc/74/19/18/1047741918.db2.gz LBNTVMSLTRIQSL-MOPGFXCFSA-N 2 1 384.351 3.606 20 0 GHADMP FC(F)(F)CCC[N@H+]1CC[C@]2(C1)CCCN(CCC[NH+]1CCCCC1)C2 ZINC001279275056 1047753381 /nfs/dbraw/zinc/75/33/81/1047753381.db2.gz BAQZTMUEYVHXJS-LJQANCHMSA-N 2 1 375.523 3.993 20 0 GHADMP Fc1ccc(Cl)cc1C[NH2+][C@@]12CC[C@@]([NH2+]CCn3ccnc3)(C1)CCC2 ZINC001279384002 1047787532 /nfs/dbraw/zinc/78/75/32/1047787532.db2.gz KIXYHHHRJVRYAN-UXHICEINSA-N 2 1 376.907 3.900 20 0 GHADMP Fc1cncc(F)c1C[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279408115 1047796825 /nfs/dbraw/zinc/79/68/25/1047796825.db2.gz WZGXCMAAJJMCIA-OKILXGFUSA-N 2 1 377.401 3.846 20 0 GHADMP Fc1cncc(F)c1C[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279408115 1047796830 /nfs/dbraw/zinc/79/68/30/1047796830.db2.gz WZGXCMAAJJMCIA-OKILXGFUSA-N 2 1 377.401 3.846 20 0 GHADMP Fc1cncc(F)c1C[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001279408115 1047796842 /nfs/dbraw/zinc/79/68/42/1047796842.db2.gz WZGXCMAAJJMCIA-OKILXGFUSA-N 2 1 377.401 3.846 20 0 GHADMP CC1(C)OC[C@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)O1 ZINC001279469584 1047817766 /nfs/dbraw/zinc/81/77/66/1047817766.db2.gz MGHIWMBZIRVAOH-FUHWJXTLSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@H](C[N@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)O1 ZINC001279469584 1047817771 /nfs/dbraw/zinc/81/77/71/1047817771.db2.gz MGHIWMBZIRVAOH-FUHWJXTLSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@H](C[NH+]2CCC[C@@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)O1 ZINC001279469584 1047817777 /nfs/dbraw/zinc/81/77/77/1047817777.db2.gz MGHIWMBZIRVAOH-FUHWJXTLSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@H](C[NH+]2CCC[C@@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)O1 ZINC001279469584 1047817783 /nfs/dbraw/zinc/81/77/83/1047817783.db2.gz MGHIWMBZIRVAOH-FUHWJXTLSA-N 2 1 378.479 3.658 20 0 GHADMP C[N@H+]1CCC[C@H](CN2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826070 /nfs/dbraw/zinc/82/60/70/1047826070.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@H](CN2CCC[C@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826078 /nfs/dbraw/zinc/82/60/78/1047826078.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@H](CN2CCC[C@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501766 1047826085 /nfs/dbraw/zinc/82/60/85/1047826085.db2.gz JKQCSJSALKWNLA-OALUTQOASA-N 2 1 375.523 3.849 20 0 GHADMP Brc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279551830 1047838322 /nfs/dbraw/zinc/83/83/22/1047838322.db2.gz UUGVYCMKXYHSGV-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279551830 1047838331 /nfs/dbraw/zinc/83/83/31/1047838331.db2.gz UUGVYCMKXYHSGV-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279551830 1047838337 /nfs/dbraw/zinc/83/83/37/1047838337.db2.gz UUGVYCMKXYHSGV-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1nccnc1Cl)CC2 ZINC001279641753 1047884049 /nfs/dbraw/zinc/88/40/49/1047884049.db2.gz QNJMPYMTHAYVDJ-UHFFFAOYSA-N 2 1 376.854 3.760 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1nccnc1Cl)CC2 ZINC001279641753 1047884059 /nfs/dbraw/zinc/88/40/59/1047884059.db2.gz QNJMPYMTHAYVDJ-UHFFFAOYSA-N 2 1 376.854 3.760 20 0 GHADMP Cc1cc(C[N@H+]2CCCC3(CC[NH+](CC4CCSCC4)CC3)C2)n(C)n1 ZINC001279643979 1047887506 /nfs/dbraw/zinc/88/75/06/1047887506.db2.gz FKXPHRLATOWEHK-UHFFFAOYSA-N 2 1 376.614 3.550 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cccnc1Cl)CC2 ZINC001279668061 1047906886 /nfs/dbraw/zinc/90/68/86/1047906886.db2.gz UNMISVUXHRDSKX-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Nc1ncc(C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)s1 ZINC001279694129 1047919939 /nfs/dbraw/zinc/91/99/39/1047919939.db2.gz UECBARJGKHWIKA-UHFFFAOYSA-N 2 1 376.492 3.746 20 0 GHADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3c(Cl)ccnc3Cl)CC2)C1 ZINC001279717367 1047932945 /nfs/dbraw/zinc/93/29/45/1047932945.db2.gz FHWSSDTXIVXPHP-UHFFFAOYSA-N 2 1 385.383 3.628 20 0 GHADMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3c(Cl)ccnc3Cl)CC2)C1 ZINC001279717367 1047932962 /nfs/dbraw/zinc/93/29/62/1047932962.db2.gz FHWSSDTXIVXPHP-UHFFFAOYSA-N 2 1 385.383 3.628 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001279819861 1047960313 /nfs/dbraw/zinc/96/03/13/1047960313.db2.gz NTMGNVKWMSKNDB-OXQOHEQNSA-N 2 1 398.378 3.616 20 0 GHADMP CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@@H+](CC)C(C)C ZINC001305451889 1048063588 /nfs/dbraw/zinc/06/35/88/1048063588.db2.gz CXDPUKWKJWCKAK-PMACEKPBSA-N 2 1 390.620 3.587 20 0 GHADMP CCCC[NH+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001306685571 1048812224 /nfs/dbraw/zinc/81/22/24/1048812224.db2.gz GVCYORJYJBAXBG-RBUKOAKNSA-N 2 1 392.636 3.518 20 0 GHADMP CCCC[NH+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001306685571 1048812234 /nfs/dbraw/zinc/81/22/34/1048812234.db2.gz GVCYORJYJBAXBG-RBUKOAKNSA-N 2 1 392.636 3.518 20 0 GHADMP CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001287901154 1048940491 /nfs/dbraw/zinc/94/04/91/1048940491.db2.gz BXCOTQWSNSVDRF-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC(C)[NH+](C)CCCn1c(C2CCCC2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001287901154 1048940493 /nfs/dbraw/zinc/94/04/93/1048940493.db2.gz BXCOTQWSNSVDRF-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC(C)[NH+](C)CCCn1c(C2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001287901154 1048940498 /nfs/dbraw/zinc/94/04/98/1048940498.db2.gz BXCOTQWSNSVDRF-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CCc1cc2c(nc(C)nc2N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)s1 ZINC001307144693 1049101133 /nfs/dbraw/zinc/10/11/33/1049101133.db2.gz BYIFLEOWLFXCRG-UHFFFAOYSA-N 2 1 387.597 3.559 20 0 GHADMP CCc1cc2c(nc(C)nc2N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)s1 ZINC001307144693 1049101141 /nfs/dbraw/zinc/10/11/41/1049101141.db2.gz BYIFLEOWLFXCRG-UHFFFAOYSA-N 2 1 387.597 3.559 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC001307422618 1049260230 /nfs/dbraw/zinc/26/02/30/1049260230.db2.gz VZFHUGRPSZFBCR-UHFFFAOYSA-N 2 1 375.948 3.865 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC001307422618 1049260234 /nfs/dbraw/zinc/26/02/34/1049260234.db2.gz VZFHUGRPSZFBCR-UHFFFAOYSA-N 2 1 375.948 3.865 20 0 GHADMP COC(=O)c1ccc(F)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001307453155 1049289564 /nfs/dbraw/zinc/28/95/64/1049289564.db2.gz UNTLDGFINOTNMN-UHFFFAOYSA-N 2 1 384.495 3.956 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1)Cc1ccccc1 ZINC001307459218 1049296326 /nfs/dbraw/zinc/29/63/26/1049296326.db2.gz QJNSGPAVEOSFNH-RPBOFIJWSA-N 2 1 393.575 3.656 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001307519876 1049363607 /nfs/dbraw/zinc/36/36/07/1049363607.db2.gz CVEFDUQPIVNOHI-KRWDZBQOSA-N 2 1 388.508 3.542 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)c1cccc(C(F)(F)F)c1 ZINC001289851204 1049657918 /nfs/dbraw/zinc/65/79/18/1049657918.db2.gz QVFJNSISMODAOX-LULLPPNCSA-N 2 1 397.485 3.545 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925110 1049699713 /nfs/dbraw/zinc/69/97/13/1049699713.db2.gz MPMKBVXOYCTSJS-UPVQGACJSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925110 1049699723 /nfs/dbraw/zinc/69/97/23/1049699723.db2.gz MPMKBVXOYCTSJS-UPVQGACJSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925110 1049699730 /nfs/dbraw/zinc/69/97/30/1049699730.db2.gz MPMKBVXOYCTSJS-UPVQGACJSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CCO1 ZINC001307962790 1049725347 /nfs/dbraw/zinc/72/53/47/1049725347.db2.gz INFVPCQNJXKCKH-HSZRJFAPSA-N 2 1 384.520 3.900 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CCO1 ZINC001307962790 1049725353 /nfs/dbraw/zinc/72/53/53/1049725353.db2.gz INFVPCQNJXKCKH-HSZRJFAPSA-N 2 1 384.520 3.900 20 0 GHADMP C/C=C\C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001307973957 1049732885 /nfs/dbraw/zinc/73/28/85/1049732885.db2.gz LMVXLXLINRZGQV-YOXWTLATSA-N 2 1 383.580 3.754 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCSC[C@@H]1c1ccccc1)c1ccccc1 ZINC001308041093 1049792127 /nfs/dbraw/zinc/79/21/27/1049792127.db2.gz SPDCPAMZEFKGMB-FGZHOGPDSA-N 2 1 397.588 3.586 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001290311099 1049798343 /nfs/dbraw/zinc/79/83/43/1049798343.db2.gz QUECKOKNVCSBOX-OAQYLSRUSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001290311099 1049798347 /nfs/dbraw/zinc/79/83/47/1049798347.db2.gz QUECKOKNVCSBOX-OAQYLSRUSA-N 2 1 375.532 3.563 20 0 GHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308089784 1049836663 /nfs/dbraw/zinc/83/66/63/1049836663.db2.gz OFHLXAZWOFZOMS-SFHVURJKSA-N 2 1 388.556 3.629 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)[C@@H]2C(C)C)CC1 ZINC001308149204 1049887225 /nfs/dbraw/zinc/88/72/25/1049887225.db2.gz AZCAMGVAVRBMAB-LJQANCHMSA-N 2 1 390.572 3.939 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001308196445 1049909182 /nfs/dbraw/zinc/90/91/82/1049909182.db2.gz HGPYRTBBHQXQTK-LEWJYISDSA-N 2 1 387.568 3.860 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001308196445 1049909185 /nfs/dbraw/zinc/90/91/85/1049909185.db2.gz HGPYRTBBHQXQTK-LEWJYISDSA-N 2 1 387.568 3.860 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC001308202447 1049911288 /nfs/dbraw/zinc/91/12/88/1049911288.db2.gz DAAJDAUMMRWFRZ-UHFFFAOYSA-N 2 1 392.522 3.801 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3coc(-c4ccccc4)n3)cc2)CC1 ZINC001308247873 1049925663 /nfs/dbraw/zinc/92/56/63/1049925663.db2.gz FSQFYJOTKODCLW-UHFFFAOYSA-N 2 1 377.488 3.588 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308281870 1049936413 /nfs/dbraw/zinc/93/64/13/1049936413.db2.gz CXUBXIQQBVHGAO-ILBGXUMGSA-N 2 1 387.527 3.721 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308281870 1049936416 /nfs/dbraw/zinc/93/64/16/1049936416.db2.gz CXUBXIQQBVHGAO-ILBGXUMGSA-N 2 1 387.527 3.721 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001308421241 1049972157 /nfs/dbraw/zinc/97/21/57/1049972157.db2.gz BFTQMBUMQAMTDI-UHFFFAOYSA-N 2 1 399.535 3.657 20 0 GHADMP CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC001308509565 1049993733 /nfs/dbraw/zinc/99/37/33/1049993733.db2.gz CLZJNIZXFQMGLM-IRJFHVNHSA-N 2 1 376.516 3.543 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568455 1050013195 /nfs/dbraw/zinc/01/31/95/1050013195.db2.gz DYAODOJMYZTPGH-DZGCQCFKSA-N 2 1 383.330 3.540 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568455 1050013201 /nfs/dbraw/zinc/01/32/01/1050013201.db2.gz DYAODOJMYZTPGH-DZGCQCFKSA-N 2 1 383.330 3.540 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568455 1050013204 /nfs/dbraw/zinc/01/32/04/1050013204.db2.gz DYAODOJMYZTPGH-DZGCQCFKSA-N 2 1 383.330 3.540 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568455 1050013211 /nfs/dbraw/zinc/01/32/11/1050013211.db2.gz DYAODOJMYZTPGH-DZGCQCFKSA-N 2 1 383.330 3.540 20 0 GHADMP COC(=O)c1c[nH]c(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001308729063 1050073742 /nfs/dbraw/zinc/07/37/42/1050073742.db2.gz WQEXNHBVYPSPPZ-QHCPKHFHSA-N 2 1 381.520 3.681 20 0 GHADMP COC(=O)c1c[nH]c(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001308729063 1050073744 /nfs/dbraw/zinc/07/37/44/1050073744.db2.gz WQEXNHBVYPSPPZ-QHCPKHFHSA-N 2 1 381.520 3.681 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)[C@H](c2ccccc2)C1 ZINC001308831796 1050113533 /nfs/dbraw/zinc/11/35/33/1050113533.db2.gz LINNHRRRLBDIGE-PLACYPQZSA-N 2 1 399.579 3.757 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001308914126 1050162846 /nfs/dbraw/zinc/16/28/46/1050162846.db2.gz LIBKSTAUXJSDDB-MRXNPFEDSA-N 2 1 377.520 3.733 20 0 GHADMP CC[C@]1(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]C1 ZINC001328206141 1050440244 /nfs/dbraw/zinc/44/02/44/1050440244.db2.gz UNDAUBDFZJANMN-FQEVSTJZSA-N 2 1 397.485 3.518 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC001328411817 1050501421 /nfs/dbraw/zinc/50/14/21/1050501421.db2.gz ATMFDUMAWBDDEX-OLZOCXBDSA-N 2 1 376.394 3.711 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c1 ZINC001328493814 1050528355 /nfs/dbraw/zinc/52/83/55/1050528355.db2.gz YGMVONLNMCCWJV-UHFFFAOYSA-N 2 1 380.414 3.721 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001328804886 1050645036 /nfs/dbraw/zinc/64/50/36/1050645036.db2.gz XICVSWQTUGMAOW-QHAWAJNXSA-N 2 1 380.536 3.895 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001329498993 1050820876 /nfs/dbraw/zinc/82/08/76/1050820876.db2.gz KJVZENAZVGWCLN-UHFFFAOYSA-N 2 1 381.520 3.686 20 0 GHADMP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@H+](C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001329877735 1050915325 /nfs/dbraw/zinc/91/53/25/1050915325.db2.gz IESGYGLRIKQLOI-GOSISDBHSA-N 2 1 378.520 3.997 20 0 GHADMP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001329877735 1050915330 /nfs/dbraw/zinc/91/53/30/1050915330.db2.gz IESGYGLRIKQLOI-GOSISDBHSA-N 2 1 378.520 3.997 20 0 GHADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1F ZINC001331972022 1051427742 /nfs/dbraw/zinc/42/77/42/1051427742.db2.gz OTUQKBFKPSVHAY-LQCXBHPOSA-N 2 1 398.522 3.741 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC001310961534 1051736251 /nfs/dbraw/zinc/73/62/51/1051736251.db2.gz GLAHMNRDSDOXKP-ZWKOTPCHSA-N 2 1 390.597 3.821 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001311401175 1052103357 /nfs/dbraw/zinc/10/33/57/1052103357.db2.gz VQUAULXZNMCPKP-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001311715312 1052351674 /nfs/dbraw/zinc/35/16/74/1052351674.db2.gz VLXVMAWVFBUOLN-RBBKRZOGSA-N 2 1 386.584 3.729 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001311953469 1052498387 /nfs/dbraw/zinc/49/83/87/1052498387.db2.gz UHAZIWDIOCUQEQ-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@]1(CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001312616987 1052813807 /nfs/dbraw/zinc/81/38/07/1052813807.db2.gz ZTGLOHBICVCPEH-HSZRJFAPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313660471 1053158467 /nfs/dbraw/zinc/15/84/67/1053158467.db2.gz QUVZHJDZQFLPOF-HXUWFJFHSA-N 2 1 398.599 3.596 20 0 GHADMP Cc1ccc2[nH]c(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c(Cl)c2c1 ZINC001318041377 1054367002 /nfs/dbraw/zinc/36/70/02/1054367002.db2.gz YWEADPFCSZPVDF-UHFFFAOYSA-N 2 1 383.883 3.529 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC001318083569 1054394233 /nfs/dbraw/zinc/39/42/33/1054394233.db2.gz CCUKTOLKVYKJDE-NHCUHLMSSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC001323193953 1056937255 /nfs/dbraw/zinc/93/72/55/1056937255.db2.gz UMOIUQYJTZVWQY-AEFFLSMTSA-N 2 1 390.572 3.797 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000848521323 1057146100 /nfs/dbraw/zinc/14/61/00/1057146100.db2.gz MPUKZRMEAJOAGD-ROUUACIJSA-N 2 1 385.512 3.501 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000848533056 1057154106 /nfs/dbraw/zinc/15/41/06/1057154106.db2.gz GTSUAUDADNKLPP-RFUYNDQBSA-N 2 1 387.351 3.648 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC001325963189 1057388627 /nfs/dbraw/zinc/38/86/27/1057388627.db2.gz CUPIYQGPTLHQEF-JOCHJYFZSA-N 2 1 379.548 3.756 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)o1 ZINC000848893624 1057401608 /nfs/dbraw/zinc/40/16/08/1057401608.db2.gz YNHOKHPLTXJZFQ-JYBLJSLWSA-N 2 1 382.504 3.988 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000849067799 1057577864 /nfs/dbraw/zinc/57/78/64/1057577864.db2.gz GUQZXZSEFGEJFT-UHFFFAOYSA-N 2 1 399.970 3.638 20 0 GHADMP C[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000849083604 1057586446 /nfs/dbraw/zinc/58/64/46/1057586446.db2.gz AKQQSDDHMRRCJV-AWEZNQCLSA-N 2 1 392.425 3.968 20 0 GHADMP C[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000849083604 1057586449 /nfs/dbraw/zinc/58/64/49/1057586449.db2.gz AKQQSDDHMRRCJV-AWEZNQCLSA-N 2 1 392.425 3.968 20 0 GHADMP COc1ccc(NC(=[NH2+])NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000849085647 1057587979 /nfs/dbraw/zinc/58/79/79/1057587979.db2.gz SIPBKQBKJRWVHG-LJQANCHMSA-N 2 1 396.535 3.942 20 0 GHADMP C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001440633709 1058552307 /nfs/dbraw/zinc/55/23/07/1058552307.db2.gz BJKGJBHORSLABL-RTWAWAEBSA-N 2 1 385.596 3.710 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCCC1 ZINC001441455159 1058786197 /nfs/dbraw/zinc/78/61/97/1058786197.db2.gz BUPLIWUKAFSPPP-XZOQPEGZSA-N 2 1 397.607 3.915 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCC1 ZINC001443434907 1059131251 /nfs/dbraw/zinc/13/12/51/1059131251.db2.gz WYTWHUFNGMVTGH-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001448119553 1060113330 /nfs/dbraw/zinc/11/33/30/1060113330.db2.gz JZFVRXCFFJBNFS-DHIUTWEWSA-N 2 1 381.564 3.952 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001448130329 1060117139 /nfs/dbraw/zinc/11/71/39/1060117139.db2.gz ZNQNPLYVQFWKKY-GMAHTHKFSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001448130329 1060117159 /nfs/dbraw/zinc/11/71/59/1060117159.db2.gz ZNQNPLYVQFWKKY-GMAHTHKFSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001448130329 1060117175 /nfs/dbraw/zinc/11/71/75/1060117175.db2.gz ZNQNPLYVQFWKKY-GMAHTHKFSA-N 2 1 383.580 3.668 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC001450779249 1060683963 /nfs/dbraw/zinc/68/39/63/1060683963.db2.gz AVBQRALGPYPRJP-VJBMBRPKSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@H]([NH3+])c1nc(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cs1 ZINC001341474479 1060709211 /nfs/dbraw/zinc/70/92/11/1060709211.db2.gz XRFVYUJFNYBZQY-TVQRCGJNSA-N 2 1 387.336 3.502 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001453738155 1061193543 /nfs/dbraw/zinc/19/35/43/1061193543.db2.gz LVGBWMHXYOSHOD-HSZRJFAPSA-N 2 1 379.548 3.731 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)n1 ZINC001345957534 1061242672 /nfs/dbraw/zinc/24/26/72/1061242672.db2.gz WXWJUXVWKYECSW-UHFFFAOYSA-N 2 1 378.442 3.857 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1 ZINC001454408439 1061767001 /nfs/dbraw/zinc/76/70/01/1061767001.db2.gz SYRFOIDCTQEJLZ-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1 ZINC001454408439 1061767021 /nfs/dbraw/zinc/76/70/21/1061767021.db2.gz SYRFOIDCTQEJLZ-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1 ZINC001454408439 1061767040 /nfs/dbraw/zinc/76/70/40/1061767040.db2.gz SYRFOIDCTQEJLZ-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1 ZINC001454408439 1061767058 /nfs/dbraw/zinc/76/70/58/1061767058.db2.gz SYRFOIDCTQEJLZ-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP FC(F)CN1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001346855674 1061941130 /nfs/dbraw/zinc/94/11/30/1061941130.db2.gz RPDIIMVSKJEACO-LJQANCHMSA-N 2 1 377.523 3.608 20 0 GHADMP C[N@@H+](CCCOc1ccccc1CNC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001435353445 1062535075 /nfs/dbraw/zinc/53/50/75/1062535075.db2.gz YAIGHTLQEFMPLX-UHFFFAOYSA-N 2 1 399.579 3.575 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC001457603192 1063272807 /nfs/dbraw/zinc/27/28/07/1063272807.db2.gz IGOBHKQBZIQIEJ-GOTSBHOMSA-N 2 1 379.548 3.836 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001457603192 1063272831 /nfs/dbraw/zinc/27/28/31/1063272831.db2.gz IGOBHKQBZIQIEJ-GOTSBHOMSA-N 2 1 379.548 3.836 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001457603192 1063272856 /nfs/dbraw/zinc/27/28/56/1063272856.db2.gz IGOBHKQBZIQIEJ-GOTSBHOMSA-N 2 1 379.548 3.836 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CCC[NH2+]C1 ZINC001349488030 1063749906 /nfs/dbraw/zinc/74/99/06/1063749906.db2.gz ZLIYQVJSQDRDFV-DLBZAZTESA-N 2 1 383.540 3.513 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001459622569 1064148135 /nfs/dbraw/zinc/14/81/35/1064148135.db2.gz KIVVPIQHUGWHGI-RPBOFIJWSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001459622569 1064148142 /nfs/dbraw/zinc/14/81/42/1064148142.db2.gz KIVVPIQHUGWHGI-RPBOFIJWSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001459622569 1064148151 /nfs/dbraw/zinc/14/81/51/1064148151.db2.gz KIVVPIQHUGWHGI-RPBOFIJWSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001459622569 1064148161 /nfs/dbraw/zinc/14/81/61/1064148161.db2.gz KIVVPIQHUGWHGI-RPBOFIJWSA-N 2 1 378.560 3.968 20 0 GHADMP Cc1cc(C)cc(C2=CC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001459782330 1064214867 /nfs/dbraw/zinc/21/48/67/1064214867.db2.gz XRGQGPXVHIMZNJ-XMMPIXPASA-N 2 1 391.559 3.812 20 0 GHADMP Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001459782330 1064214873 /nfs/dbraw/zinc/21/48/73/1064214873.db2.gz XRGQGPXVHIMZNJ-XMMPIXPASA-N 2 1 391.559 3.812 20 0 GHADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001459905911 1064266283 /nfs/dbraw/zinc/26/62/83/1064266283.db2.gz RYOZDDYYCNWRIS-GMAHTHKFSA-N 2 1 385.596 3.978 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3-c3nccs3)CC2)CC1 ZINC001351115955 1064271224 /nfs/dbraw/zinc/27/12/24/1064271224.db2.gz NLDXZRLUURQHHF-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC001459934319 1064283963 /nfs/dbraw/zinc/28/39/63/1064283963.db2.gz SVVGVNVGNWLFOZ-UHFFFAOYSA-N 2 1 375.586 3.878 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC001459953689 1064300513 /nfs/dbraw/zinc/30/05/13/1064300513.db2.gz HKRVCYSDJPIACN-UHFFFAOYSA-N 2 1 385.596 3.787 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001463729159 1064575004 /nfs/dbraw/zinc/57/50/04/1064575004.db2.gz MHPSSTSDFHZXFC-FXAWDEMLSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001463729159 1064575020 /nfs/dbraw/zinc/57/50/20/1064575020.db2.gz MHPSSTSDFHZXFC-FXAWDEMLSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001463729159 1064575035 /nfs/dbraw/zinc/57/50/35/1064575035.db2.gz MHPSSTSDFHZXFC-FXAWDEMLSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001463729159 1064575046 /nfs/dbraw/zinc/57/50/46/1064575046.db2.gz MHPSSTSDFHZXFC-FXAWDEMLSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001463729159 1064575062 /nfs/dbraw/zinc/57/50/62/1064575062.db2.gz MHPSSTSDFHZXFC-FXAWDEMLSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H](c1ccc(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cc1)[NH+]1CCOCC1 ZINC001464976121 1065301029 /nfs/dbraw/zinc/30/10/29/1065301029.db2.gz CJFURTGLPUTVFH-KRWDZBQOSA-N 2 1 392.503 3.936 20 0 GHADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001465004826 1065320688 /nfs/dbraw/zinc/32/06/88/1065320688.db2.gz YURHWLOBLHINLZ-CVDCTZTESA-N 2 1 395.547 3.593 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001466083152 1065976740 /nfs/dbraw/zinc/97/67/40/1065976740.db2.gz VEMCKHHFZVEPJY-PMACEKPBSA-N 2 1 379.548 3.526 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCCCC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC001353569255 1066049375 /nfs/dbraw/zinc/04/93/75/1066049375.db2.gz DEOUBQQYXGLYQH-NQIIRXRSSA-N 2 1 377.598 3.807 20 0 GHADMP COCC[NH+]1CCC(OC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000847884368 1066332334 /nfs/dbraw/zinc/33/23/34/1066332334.db2.gz HSOBJTVBGXXXQR-UHFFFAOYSA-N 2 1 396.531 3.586 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001477654889 1078511032 /nfs/dbraw/zinc/51/10/32/1078511032.db2.gz YULVWQLLYDIBKT-RBBKRZOGSA-N 2 1 388.600 3.563 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC001477674691 1078520746 /nfs/dbraw/zinc/52/07/46/1078520746.db2.gz QQEHIBHAGHQTSM-QFIPXVFZSA-N 2 1 386.584 3.696 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001467674401 1067410994 /nfs/dbraw/zinc/41/09/94/1067410994.db2.gz GULOCLHZUSRHRY-NRFANRHFSA-N 2 1 388.600 3.707 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001467688212 1067421332 /nfs/dbraw/zinc/42/13/32/1067421332.db2.gz UUWVJHWMYRUAOY-HSALFYBXSA-N 2 1 380.621 3.554 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001467688212 1067421337 /nfs/dbraw/zinc/42/13/37/1067421337.db2.gz UUWVJHWMYRUAOY-HSALFYBXSA-N 2 1 380.621 3.554 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001467688212 1067421344 /nfs/dbraw/zinc/42/13/44/1067421344.db2.gz UUWVJHWMYRUAOY-HSALFYBXSA-N 2 1 380.621 3.554 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC001467828977 1067485254 /nfs/dbraw/zinc/48/52/54/1067485254.db2.gz NTYSNPMXPXVMHY-QHCPKHFHSA-N 2 1 379.548 3.923 20 0 GHADMP CCc1cc(=O)[nH]c(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001473597860 1067570379 /nfs/dbraw/zinc/57/03/79/1067570379.db2.gz ZBTCFFBUKDANCP-UHFFFAOYSA-N 2 1 380.536 3.623 20 0 GHADMP C[C@@H](NC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000849104098 1067730681 /nfs/dbraw/zinc/73/06/81/1067730681.db2.gz JYYDXANGLJIETD-ZIAGYGMSSA-N 2 1 387.355 3.669 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001468611700 1067791357 /nfs/dbraw/zinc/79/13/57/1067791357.db2.gz ZUAHGFARWAAFRT-BDTNDASRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001477864908 1078600525 /nfs/dbraw/zinc/60/05/25/1078600525.db2.gz BSUPIGDUPGFNJX-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001477864908 1078600529 /nfs/dbraw/zinc/60/05/29/1078600529.db2.gz BSUPIGDUPGFNJX-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001477864908 1078600532 /nfs/dbraw/zinc/60/05/32/1078600532.db2.gz BSUPIGDUPGFNJX-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001477864909 1078600794 /nfs/dbraw/zinc/60/07/94/1078600794.db2.gz BSUPIGDUPGFNJX-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001477864909 1078600796 /nfs/dbraw/zinc/60/07/96/1078600796.db2.gz BSUPIGDUPGFNJX-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001477864909 1078600805 /nfs/dbraw/zinc/60/08/05/1078600805.db2.gz BSUPIGDUPGFNJX-UPVQGACJSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001469157818 1068000198 /nfs/dbraw/zinc/00/01/98/1068000198.db2.gz NLHAUHIBFSMLHB-ZFQANFLFSA-N 2 1 386.584 3.602 20 0 GHADMP CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC001469351729 1068117909 /nfs/dbraw/zinc/11/79/09/1068117909.db2.gz MJQLEFZHFDXTSB-NNWRFLSQSA-N 2 1 388.600 3.878 20 0 GHADMP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2C[NH+](CC)CCO2)cc1 ZINC001469661727 1068293035 /nfs/dbraw/zinc/29/30/35/1068293035.db2.gz PRCOEOJIRNTPNI-HSZRJFAPSA-N 2 1 395.547 3.758 20 0 GHADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2C[NH+](CC)CCO2)cc1 ZINC001469661727 1068293045 /nfs/dbraw/zinc/29/30/45/1068293045.db2.gz PRCOEOJIRNTPNI-HSZRJFAPSA-N 2 1 395.547 3.758 20 0 GHADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2C[N@H+](CC)CCO2)cc1 ZINC001469661727 1068293059 /nfs/dbraw/zinc/29/30/59/1068293059.db2.gz PRCOEOJIRNTPNI-HSZRJFAPSA-N 2 1 395.547 3.758 20 0 GHADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC001469661727 1068293070 /nfs/dbraw/zinc/29/30/70/1068293070.db2.gz PRCOEOJIRNTPNI-HSZRJFAPSA-N 2 1 395.547 3.758 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC(C)C)CCCC1 ZINC001478161290 1078748023 /nfs/dbraw/zinc/74/80/23/1078748023.db2.gz WUNZUISCCGJQQL-HXUWFJFHSA-N 2 1 380.621 3.650 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460406657 1068954961 /nfs/dbraw/zinc/95/49/61/1068954961.db2.gz HTQVBBAURQBTOG-UXHICEINSA-N 2 1 379.589 3.830 20 0 GHADMP CC(=O)NC[C@H]1CCCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001460556003 1068994447 /nfs/dbraw/zinc/99/44/47/1068994447.db2.gz QWIPGFILMOTQKW-LOSJGSFVSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@H]1CCCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001460556003 1068994453 /nfs/dbraw/zinc/99/44/53/1068994453.db2.gz QWIPGFILMOTQKW-LOSJGSFVSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001460556003 1068994471 /nfs/dbraw/zinc/99/44/71/1068994471.db2.gz QWIPGFILMOTQKW-LOSJGSFVSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001460556003 1068994472 /nfs/dbraw/zinc/99/44/72/1068994472.db2.gz QWIPGFILMOTQKW-LOSJGSFVSA-N 2 1 393.575 3.893 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1C[C@@H]2C[NH+](C)CC[C@@H]2C1)c1ccccc1 ZINC001460603961 1069020843 /nfs/dbraw/zinc/02/08/43/1069020843.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 2 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC001460603961 1069020856 /nfs/dbraw/zinc/02/08/56/1069020856.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 2 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC001460603961 1069020870 /nfs/dbraw/zinc/02/08/70/1069020870.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 2 1 377.576 3.786 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603961 1069020877 /nfs/dbraw/zinc/02/08/77/1069020877.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 3 1 377.576 3.786 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603961 1069020895 /nfs/dbraw/zinc/02/08/95/1069020895.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 3 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603961 1069020923 /nfs/dbraw/zinc/02/09/23/1069020923.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 3 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603961 1069020946 /nfs/dbraw/zinc/02/09/46/1069020946.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 3 1 377.576 3.786 20 0 GHADMP CC[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001470823549 1072756529 /nfs/dbraw/zinc/75/65/29/1072756529.db2.gz LHYLVNCONOPTQK-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823549 1072756535 /nfs/dbraw/zinc/75/65/35/1072756535.db2.gz LHYLVNCONOPTQK-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823549 1072756538 /nfs/dbraw/zinc/75/65/38/1072756538.db2.gz LHYLVNCONOPTQK-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001478766706 1078980103 /nfs/dbraw/zinc/98/01/03/1078980103.db2.gz RTNADOGNROBZOC-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471043835 1072901141 /nfs/dbraw/zinc/90/11/41/1072901141.db2.gz ALESTOAYDRYBPP-MZYLBHOOSA-N 2 1 398.595 3.699 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1cccc(C(F)(F)F)c1 ZINC001471215797 1072969881 /nfs/dbraw/zinc/96/98/81/1072969881.db2.gz RMJQANAKZBYBMO-NEWSRXKRSA-N 2 1 397.485 3.641 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001471571844 1073141833 /nfs/dbraw/zinc/14/18/33/1073141833.db2.gz QPIKCXYFMHYHGP-HXUWFJFHSA-N 2 1 375.601 3.898 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC001478959236 1079040420 /nfs/dbraw/zinc/04/04/20/1079040420.db2.gz QUUVWXDKJJZQEM-NRFANRHFSA-N 2 1 386.584 3.510 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)CC2)cc1 ZINC001478959236 1079040424 /nfs/dbraw/zinc/04/04/24/1079040424.db2.gz QUUVWXDKJJZQEM-NRFANRHFSA-N 2 1 386.584 3.510 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1cccc(C(F)(F)F)c1 ZINC001471857704 1073234157 /nfs/dbraw/zinc/23/41/57/1073234157.db2.gz YLSFTHVQUODNSN-IPMKNSEASA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1cccc(C(F)(F)F)c1 ZINC001471857704 1073234163 /nfs/dbraw/zinc/23/41/63/1073234163.db2.gz YLSFTHVQUODNSN-IPMKNSEASA-N 2 1 397.485 3.783 20 0 GHADMP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001473224428 1073873018 /nfs/dbraw/zinc/87/30/18/1073873018.db2.gz ZBAIGUQEKPUNII-ISKFKSNPSA-N 2 1 379.548 3.661 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H](CC(C)C)C3)CC2)cc1 ZINC001473278214 1073903566 /nfs/dbraw/zinc/90/35/66/1073903566.db2.gz QRPAXRLKJBAZNB-QHCPKHFHSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](CC(C)C)C3)CC2)cc1 ZINC001473278214 1073903568 /nfs/dbraw/zinc/90/35/68/1073903568.db2.gz QRPAXRLKJBAZNB-QHCPKHFHSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](CC(C)C)C3)CC2)cc1 ZINC001473278214 1073903569 /nfs/dbraw/zinc/90/35/69/1073903569.db2.gz QRPAXRLKJBAZNB-QHCPKHFHSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1cccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001473374207 1073938459 /nfs/dbraw/zinc/93/84/59/1073938459.db2.gz GPVNEDVZEHPHTL-ZTCOLXNVSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1cccc([C@@H]2CC[NH+]([C@@H](C)C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001473374207 1073938462 /nfs/dbraw/zinc/93/84/62/1073938462.db2.gz GPVNEDVZEHPHTL-ZTCOLXNVSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1cccc([C@@H]2CC[NH+]([C@@H](C)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001473374207 1073938464 /nfs/dbraw/zinc/93/84/64/1073938464.db2.gz GPVNEDVZEHPHTL-ZTCOLXNVSA-N 2 1 391.559 3.564 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC001473408627 1073953300 /nfs/dbraw/zinc/95/33/00/1073953300.db2.gz KSHBMMFIUFHPSI-XJKSGUPXSA-N 2 1 375.376 3.737 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)[C@@H](C)C1 ZINC001473408627 1073953303 /nfs/dbraw/zinc/95/33/03/1073953303.db2.gz KSHBMMFIUFHPSI-XJKSGUPXSA-N 2 1 375.376 3.737 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001473425632 1073959498 /nfs/dbraw/zinc/95/94/98/1073959498.db2.gz NJGQNOUHCHJSEP-IHWFROFDSA-N 2 1 379.589 3.972 20 0 GHADMP FC1(F)CC12CC[NH+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC001473616782 1074051262 /nfs/dbraw/zinc/05/12/62/1074051262.db2.gz UYWNBOAWYNNXHH-UHFFFAOYSA-N 2 1 383.914 3.973 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1-n1cncn1 ZINC001473931534 1074208802 /nfs/dbraw/zinc/20/88/02/1074208802.db2.gz LIYACSCLQNYQOW-LJQANCHMSA-N 2 1 375.520 3.932 20 0 GHADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CC1 ZINC001473961087 1074219423 /nfs/dbraw/zinc/21/94/23/1074219423.db2.gz SUNORBHEAXOXPO-UHFFFAOYSA-N 2 1 390.959 3.970 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC001473988645 1074227275 /nfs/dbraw/zinc/22/72/75/1074227275.db2.gz PAPQYAOHDHTAQI-KRWDZBQOSA-N 2 1 385.499 3.776 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)C1 ZINC001473989020 1074227310 /nfs/dbraw/zinc/22/73/10/1074227310.db2.gz OXTSAMFWJIYCDW-LJQANCHMSA-N 2 1 390.959 3.826 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C)c(I)cc1C ZINC001474019912 1074238074 /nfs/dbraw/zinc/23/80/74/1074238074.db2.gz JFWNYFFWCHZCKJ-UHFFFAOYSA-N 2 1 397.304 3.983 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001474067862 1074252471 /nfs/dbraw/zinc/25/24/71/1074252471.db2.gz HUHJHSPOGZQDEC-IAGOWNOFSA-N 2 1 399.398 3.638 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474173868 1074284242 /nfs/dbraw/zinc/28/42/42/1074284242.db2.gz CGVOWFMIUKOPER-GOSISDBHSA-N 2 1 387.568 3.801 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)s2)o1 ZINC001474204985 1074292737 /nfs/dbraw/zinc/29/27/37/1074292737.db2.gz NYUPWFWUAMIEKN-SFHVURJKSA-N 2 1 383.517 3.568 20 0 GHADMP CC[N@H+](Cc1ccc(OCC(=O)OC)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001474325175 1074343121 /nfs/dbraw/zinc/34/31/21/1074343121.db2.gz SMOQNVJMUYYDKZ-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474348113 1074356187 /nfs/dbraw/zinc/35/61/87/1074356187.db2.gz DMIAYSMCABUHRN-LJQANCHMSA-N 2 1 387.568 3.753 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474348113 1074356195 /nfs/dbraw/zinc/35/61/95/1074356195.db2.gz DMIAYSMCABUHRN-LJQANCHMSA-N 2 1 387.568 3.753 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474348113 1074356200 /nfs/dbraw/zinc/35/62/00/1074356200.db2.gz DMIAYSMCABUHRN-LJQANCHMSA-N 2 1 387.568 3.753 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474348113 1074356211 /nfs/dbraw/zinc/35/62/11/1074356211.db2.gz DMIAYSMCABUHRN-LJQANCHMSA-N 2 1 387.568 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC001474470749 1074421624 /nfs/dbraw/zinc/42/16/24/1074421624.db2.gz OSMULOPKGMLFMO-FGCOXFRFSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1C[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC001474470749 1074421630 /nfs/dbraw/zinc/42/16/30/1074421630.db2.gz OSMULOPKGMLFMO-FGCOXFRFSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1C[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1 ZINC001474470749 1074421632 /nfs/dbraw/zinc/42/16/32/1074421632.db2.gz OSMULOPKGMLFMO-FGCOXFRFSA-N 2 1 386.580 3.805 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001474722078 1074533339 /nfs/dbraw/zinc/53/33/39/1074533339.db2.gz CMKZEKJUPQIGIK-REWPJTCUSA-N 2 1 378.516 3.973 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001474722078 1074533346 /nfs/dbraw/zinc/53/33/46/1074533346.db2.gz CMKZEKJUPQIGIK-REWPJTCUSA-N 2 1 378.516 3.973 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001474744995 1074542753 /nfs/dbraw/zinc/54/27/53/1074542753.db2.gz NSSKWROAOYEKLD-QQUTXWOLSA-N 2 1 379.548 3.912 20 0 GHADMP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001546208493 1075069143 /nfs/dbraw/zinc/06/91/43/1075069143.db2.gz PQGZXONOGLYSBJ-RXVVDRJESA-N 2 1 390.531 3.931 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001476017775 1075069621 /nfs/dbraw/zinc/06/96/21/1075069621.db2.gz YNWQXILUDYOPAR-JOCHJYFZSA-N 2 1 386.584 3.909 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[NH+]1CCCCCC1 ZINC001495288239 1079398644 /nfs/dbraw/zinc/39/86/44/1079398644.db2.gz WXTIHKYGXHKYBM-ZCNNSNEGSA-N 2 1 390.620 3.587 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(C[NH+]5CCCC5)cn4)[C@H]3C2)cc1 ZINC001164625875 719096210 /nfs/dbraw/zinc/09/62/10/719096210.db2.gz HEWXRASKIYNUGC-PKTZIBPZSA-N 2 1 376.548 3.778 20 0 GHADMP CC[C@@H](C)c1nc(Cl)c(C)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679422 719649155 /nfs/dbraw/zinc/64/91/55/719649155.db2.gz AFLDZVTZPNLANY-CYBMUJFWSA-N 2 1 390.963 3.624 20 0 GHADMP CC[C@@H](C)c1nc(Cl)c(C)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679422 719649162 /nfs/dbraw/zinc/64/91/62/719649162.db2.gz AFLDZVTZPNLANY-CYBMUJFWSA-N 2 1 390.963 3.624 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(-n4ccnc4)cc[nH+]2)CC3)cs1 ZINC001164691635 719815227 /nfs/dbraw/zinc/81/52/27/719815227.db2.gz IRTNJDKIYGWWLD-UHFFFAOYSA-N 2 1 394.548 3.667 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCN(c4ccccc4)CC3)CC2)oc1C ZINC000162757603 837413323 /nfs/dbraw/zinc/41/33/23/837413323.db2.gz GTQIDXBKLZIJCA-UHFFFAOYSA-N 2 1 382.552 3.762 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1C ZINC000613537257 837454376 /nfs/dbraw/zinc/45/43/76/837454376.db2.gz INTDZUVDMUXKDD-SJORKVTESA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1C ZINC000613537257 837454388 /nfs/dbraw/zinc/45/43/88/837454388.db2.gz INTDZUVDMUXKDD-SJORKVTESA-N 2 1 385.581 3.943 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431778018 837467713 /nfs/dbraw/zinc/46/77/13/837467713.db2.gz FYNLUFIGBYWPSF-RXVVDRJESA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431778018 837467719 /nfs/dbraw/zinc/46/77/19/837467719.db2.gz FYNLUFIGBYWPSF-RXVVDRJESA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431778018 837467723 /nfs/dbraw/zinc/46/77/23/837467723.db2.gz FYNLUFIGBYWPSF-RXVVDRJESA-N 2 1 389.609 3.873 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000471400676 837592012 /nfs/dbraw/zinc/59/20/12/837592012.db2.gz CEGIZAGKFROTSK-UHFFFAOYSA-N 2 1 379.548 3.593 20 0 GHADMP Cc1cc(-n2nc(C[NH3+])c3ccccc32)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001167693271 837613039 /nfs/dbraw/zinc/61/30/39/837613039.db2.gz GIVBHLHPMFQAOD-UHFFFAOYSA-N 2 1 383.499 3.746 20 0 GHADMP c1[nH+]c2cc(NCC3(c4ccccc4)COC3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001167292650 837665143 /nfs/dbraw/zinc/66/51/43/837665143.db2.gz ZAEVAYUKUIVMKP-FQEVSTJZSA-N 2 1 376.504 3.731 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655696120 837686759 /nfs/dbraw/zinc/68/67/59/837686759.db2.gz AUJYLIRSVVVGBS-XMMPIXPASA-N 2 1 385.596 3.794 20 0 GHADMP C[N@H+](Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655696120 837686766 /nfs/dbraw/zinc/68/67/66/837686766.db2.gz AUJYLIRSVVVGBS-XMMPIXPASA-N 3 1 385.596 3.794 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655696120 837686773 /nfs/dbraw/zinc/68/67/73/837686773.db2.gz AUJYLIRSVVVGBS-XMMPIXPASA-N 3 1 385.596 3.794 20 0 GHADMP Brc1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c1 ZINC000655697651 837688132 /nfs/dbraw/zinc/68/81/32/837688132.db2.gz USZNYWCKZKCFBO-IBGZPJMESA-N 2 1 393.369 3.714 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000655704955 837695696 /nfs/dbraw/zinc/69/56/96/837695696.db2.gz RDQFSISWFBLRNO-SFHVURJKSA-N 2 1 381.358 3.570 20 0 GHADMP Clc1ccccc1N1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655715001 837720662 /nfs/dbraw/zinc/72/06/62/837720662.db2.gz GBUFUQUEJFWRTL-MOPGFXCFSA-N 2 1 377.960 3.542 20 0 GHADMP c1ccc(OCc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)cc1 ZINC000655724858 837748051 /nfs/dbraw/zinc/74/80/51/837748051.db2.gz IPIKMOTZBHRTJL-XMMPIXPASA-N 2 1 380.532 3.999 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)C1 ZINC000650707901 834547025 /nfs/dbraw/zinc/54/70/25/834547025.db2.gz PMTQKDDQEYPMJD-WDMOLILDSA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)C1 ZINC000650707901 834547035 /nfs/dbraw/zinc/54/70/35/834547035.db2.gz PMTQKDDQEYPMJD-WDMOLILDSA-N 2 1 393.778 3.882 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000655735322 837784793 /nfs/dbraw/zinc/78/47/93/837784793.db2.gz GYTIUTNHYZRTLP-UWJYYQICSA-N 2 1 388.531 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@@H](C)C1 ZINC000655735322 837784798 /nfs/dbraw/zinc/78/47/98/837784798.db2.gz GYTIUTNHYZRTLP-UWJYYQICSA-N 2 1 388.531 3.546 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000089214885 834573580 /nfs/dbraw/zinc/57/35/80/834573580.db2.gz HENRMQOCHGCAMQ-NZQKXSOJSA-N 3 1 378.564 3.941 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000089214885 834573585 /nfs/dbraw/zinc/57/35/85/834573585.db2.gz HENRMQOCHGCAMQ-NZQKXSOJSA-N 3 1 378.564 3.941 20 0 GHADMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc2ccncc2s1 ZINC000657868310 834715554 /nfs/dbraw/zinc/71/55/54/834715554.db2.gz NWGSXMWNNMONHC-YLJYHZDGSA-N 2 1 380.561 3.936 20 0 GHADMP O=C1CCCN1Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000153917113 834741695 /nfs/dbraw/zinc/74/16/95/834741695.db2.gz LBKBNKJQLZBHJI-UHFFFAOYSA-N 2 1 391.559 3.606 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccc(N4CCOCC4)c3)CC23CC3)cc1 ZINC000583692977 834874302 /nfs/dbraw/zinc/87/43/02/834874302.db2.gz SDBMXLRNQINDFW-HSZRJFAPSA-N 2 1 391.559 3.810 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccc(N4CCOCC4)c3)CC23CC3)cc1 ZINC000583692977 834874314 /nfs/dbraw/zinc/87/43/14/834874314.db2.gz SDBMXLRNQINDFW-HSZRJFAPSA-N 2 1 391.559 3.810 20 0 GHADMP O[C@H]1CC[N@H+](C2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000668739947 834894001 /nfs/dbraw/zinc/89/40/01/834894001.db2.gz PZQYRYJZIIALFI-QFIPXVFZSA-N 2 1 386.486 3.628 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000685470524 835035637 /nfs/dbraw/zinc/03/56/37/835035637.db2.gz BKLBBQYCJLRSQH-HXUWFJFHSA-N 2 1 378.520 3.641 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000382411100 835040796 /nfs/dbraw/zinc/04/07/96/835040796.db2.gz DRZJBCMFFLEWRB-CTNGQTDRSA-N 2 1 387.568 3.934 20 0 GHADMP C[NH+](C)CCN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCC1 ZINC000151146858 835049726 /nfs/dbraw/zinc/04/97/26/835049726.db2.gz PIRJISOXJRUSHH-YLJYHZDGSA-N 2 1 392.613 3.647 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(c4ccsc4)CC3)CC2)CC1 ZINC000583821378 835093222 /nfs/dbraw/zinc/09/32/22/835093222.db2.gz HWSDBPOKQSIPFD-UHFFFAOYSA-N 2 1 389.609 3.650 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000583962236 835302223 /nfs/dbraw/zinc/30/22/23/835302223.db2.gz KACLIMRJSSYMBH-ZUUNWQIRSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000583962236 835302231 /nfs/dbraw/zinc/30/22/31/835302231.db2.gz KACLIMRJSSYMBH-ZUUNWQIRSA-N 2 1 399.623 3.502 20 0 GHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc21 ZINC000433349130 844041738 /nfs/dbraw/zinc/04/17/38/844041738.db2.gz BNZOZZXWDZEVIS-OAQYLSRUSA-N 2 1 382.552 3.939 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000093639444 835346388 /nfs/dbraw/zinc/34/63/88/835346388.db2.gz SBNDOOCBGNKVSY-RDTXWAMCSA-N 2 1 379.342 3.887 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000093639444 835346397 /nfs/dbraw/zinc/34/63/97/835346397.db2.gz SBNDOOCBGNKVSY-RDTXWAMCSA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000093639444 835346403 /nfs/dbraw/zinc/34/64/03/835346403.db2.gz SBNDOOCBGNKVSY-RDTXWAMCSA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=Cc3cc(Br)ccc3OC2)[C@H](C)C1 ZINC000093639444 835346411 /nfs/dbraw/zinc/34/64/11/835346411.db2.gz SBNDOOCBGNKVSY-RDTXWAMCSA-N 2 1 379.342 3.887 20 0 GHADMP C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274804073 835419433 /nfs/dbraw/zinc/41/94/33/835419433.db2.gz WAEPKZRYEJZOIF-SPNUUIHVSA-N 2 1 379.548 3.712 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCS2 ZINC000658142920 835453158 /nfs/dbraw/zinc/45/31/58/835453158.db2.gz ZVSDTBWWNLGLFS-RXVVDRJESA-N 2 1 384.545 3.589 20 0 GHADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)s1 ZINC000127309636 835653493 /nfs/dbraw/zinc/65/34/93/835653493.db2.gz WUDUQCJTWRAJPC-MRXNPFEDSA-N 2 1 389.565 3.792 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000154459018 835682833 /nfs/dbraw/zinc/68/28/33/835682833.db2.gz FMIHXCQMDCUPFG-OAHLLOKOSA-N 2 1 386.353 3.657 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000584220352 835770940 /nfs/dbraw/zinc/77/09/40/835770940.db2.gz JGTVBWTZXZYYRZ-UHFFFAOYSA-N 2 1 384.499 3.633 20 0 GHADMP CC(C)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)cc(Br)c1 ZINC000657844643 835923453 /nfs/dbraw/zinc/92/34/53/835923453.db2.gz IJYRLWAXHCBUJN-SFHVURJKSA-N 2 1 387.337 3.722 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000473272883 844128609 /nfs/dbraw/zinc/12/86/09/844128609.db2.gz AQFYEMIIZIALMV-UHFFFAOYSA-N 2 1 397.567 3.813 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000473292023 844147785 /nfs/dbraw/zinc/14/77/85/844147785.db2.gz AZEFNFUBEXQMRW-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000473292023 844147791 /nfs/dbraw/zinc/14/77/91/844147791.db2.gz AZEFNFUBEXQMRW-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000473292023 844147798 /nfs/dbraw/zinc/14/77/98/844147798.db2.gz AZEFNFUBEXQMRW-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)C[N@H+](C)CCc2ccccc2)c2cccs2)CC1 ZINC000613449936 836406962 /nfs/dbraw/zinc/40/69/62/836406962.db2.gz DNXUGRFPGBKIDO-OAQYLSRUSA-N 2 1 399.604 3.812 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)c2cccs2)CC1 ZINC000613449936 836406968 /nfs/dbraw/zinc/40/69/68/836406968.db2.gz DNXUGRFPGBKIDO-OAQYLSRUSA-N 2 1 399.604 3.812 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000109660817 836460809 /nfs/dbraw/zinc/46/08/09/836460809.db2.gz GCIOEWYPCYYALT-GOTSBHOMSA-N 2 1 383.580 3.622 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OCC(F)(F)F ZINC000171128169 836461915 /nfs/dbraw/zinc/46/19/15/836461915.db2.gz QNUOCNVZJBOVFK-UHFFFAOYSA-N 2 1 386.458 3.990 20 0 GHADMP C[N@H+](Cc1ccccc1)C1(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)CCC1 ZINC000414216473 836583290 /nfs/dbraw/zinc/58/32/90/836583290.db2.gz VSBYVGYJQHKAQC-UHFFFAOYSA-N 2 1 399.502 3.677 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)CCC1 ZINC000414216473 836583301 /nfs/dbraw/zinc/58/33/01/836583301.db2.gz VSBYVGYJQHKAQC-UHFFFAOYSA-N 2 1 399.502 3.677 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000174879513 836601466 /nfs/dbraw/zinc/60/14/66/836601466.db2.gz PMHXBIUCGCALFD-SFHVURJKSA-N 2 1 399.539 3.585 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548490943 844236613 /nfs/dbraw/zinc/23/66/13/844236613.db2.gz XIVZPDHZLYEVEJ-GVXSCFBNSA-N 2 1 393.575 3.560 20 0 GHADMP Cc1nc2ccccc2n1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000162239844 837251610 /nfs/dbraw/zinc/25/16/10/837251610.db2.gz AMTDCFRETVDHKJ-UHFFFAOYSA-N 2 1 380.511 3.781 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685848020 837269638 /nfs/dbraw/zinc/26/96/38/837269638.db2.gz OGSBCGRTGJZFBI-BBKFTCMMSA-N 2 1 393.522 3.792 20 0 GHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000423581398 837976479 /nfs/dbraw/zinc/97/64/79/837976479.db2.gz YZTIEKFLVNUDEM-FQEVSTJZSA-N 2 1 389.547 3.516 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431852567 838027249 /nfs/dbraw/zinc/02/72/49/838027249.db2.gz ANRLACYSLOLHDN-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431852567 838027265 /nfs/dbraw/zinc/02/72/65/838027265.db2.gz ANRLACYSLOLHDN-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431852567 838027273 /nfs/dbraw/zinc/02/72/73/838027273.db2.gz ANRLACYSLOLHDN-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000535669394 844287750 /nfs/dbraw/zinc/28/77/50/844287750.db2.gz OPCYZWSYXMMOSY-MRXNPFEDSA-N 2 1 391.357 3.723 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000415899184 838252727 /nfs/dbraw/zinc/25/27/27/838252727.db2.gz JBUOAXIREYYZNL-HXUWFJFHSA-N 2 1 380.536 3.830 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000415916334 838264602 /nfs/dbraw/zinc/26/46/02/838264602.db2.gz HCEYUUMGYAUYJT-GCJKJVERSA-N 2 1 380.536 3.923 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415913173 838270237 /nfs/dbraw/zinc/27/02/37/838270237.db2.gz AICBVSGTGSDKDM-OALUTQOASA-N 2 1 380.536 3.923 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000415921521 838272652 /nfs/dbraw/zinc/27/26/52/838272652.db2.gz RMSDITWANUKWQG-UHFFFAOYSA-N 2 1 380.536 3.782 20 0 GHADMP Cc1cccc2c1cc[nH+]c2NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000571399704 844316293 /nfs/dbraw/zinc/31/62/93/844316293.db2.gz XROLUQRFQQYEHM-UHFFFAOYSA-N 2 1 388.515 3.853 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000580023406 838411238 /nfs/dbraw/zinc/41/12/38/838411238.db2.gz ZEUKDTISKCUHDV-HXUWFJFHSA-N 2 1 392.975 3.603 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNc1nc2ccc(Br)cc2[nH]1 ZINC000683722282 838429293 /nfs/dbraw/zinc/42/92/93/838429293.db2.gz BZZMOCAPNBPVTB-UHFFFAOYSA-N 2 1 383.253 3.827 20 0 GHADMP C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000535722831 844347346 /nfs/dbraw/zinc/34/73/46/844347346.db2.gz CUIJFBHNKPLRMH-UHFFFAOYSA-N 3 1 390.660 3.667 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416171642 838656197 /nfs/dbraw/zinc/65/61/97/838656197.db2.gz RHXUNODRAWDZGF-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4CCC[NH+]4C4CCCCC4)cc3c2C1 ZINC000614377498 844365514 /nfs/dbraw/zinc/36/55/14/844365514.db2.gz PEUBBRSQTYMCEY-IBGZPJMESA-N 2 1 394.563 3.683 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4CCC[NH+]4C4CCCCC4)cc3c2C1 ZINC000614377498 844365530 /nfs/dbraw/zinc/36/55/30/844365530.db2.gz PEUBBRSQTYMCEY-IBGZPJMESA-N 2 1 394.563 3.683 20 0 GHADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4CCC[N@@H+]4C4CCCCC4)cc3c2C1 ZINC000614377498 844365546 /nfs/dbraw/zinc/36/55/46/844365546.db2.gz PEUBBRSQTYMCEY-IBGZPJMESA-N 2 1 394.563 3.683 20 0 GHADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4CCC[N@H+]4C4CCCCC4)cc3c2C1 ZINC000614377498 844365558 /nfs/dbraw/zinc/36/55/58/844365558.db2.gz PEUBBRSQTYMCEY-IBGZPJMESA-N 2 1 394.563 3.683 20 0 GHADMP C[N@@H+](CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000309574915 838882875 /nfs/dbraw/zinc/88/28/75/838882875.db2.gz SKEVJKXBMOMDPG-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958153 844391439 /nfs/dbraw/zinc/39/14/39/844391439.db2.gz ICFOLZYRNCMDOM-RTBURBONSA-N 2 1 387.568 3.571 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc(C[NH+](C)C)cc3)C2)s1 ZINC000580200768 839038169 /nfs/dbraw/zinc/03/81/69/839038169.db2.gz IEXQSOFMRWYJGT-LJQANCHMSA-N 2 1 385.577 3.712 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000460344820 839118721 /nfs/dbraw/zinc/11/87/21/839118721.db2.gz DOBLVERLBCKXGI-HROJSSOGSA-N 2 1 383.580 3.666 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000460344820 839118727 /nfs/dbraw/zinc/11/87/27/839118727.db2.gz DOBLVERLBCKXGI-HROJSSOGSA-N 2 1 383.580 3.666 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000472684368 839126051 /nfs/dbraw/zinc/12/60/51/839126051.db2.gz IQOXTUNULASJNK-FXAWDEMLSA-N 2 1 375.944 3.962 20 0 GHADMP COc1ccc(Oc2ccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cc2)cc1 ZINC000415057585 839128638 /nfs/dbraw/zinc/12/86/38/839128638.db2.gz RSJVYXJVEZENEE-UHFFFAOYSA-N 2 1 395.547 3.794 20 0 GHADMP [NH3+]CCCN(CC1CCCC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415070542 839159816 /nfs/dbraw/zinc/15/98/16/839159816.db2.gz QWKMJTUPSBSBNO-UHFFFAOYSA-N 2 1 390.597 3.608 20 0 GHADMP CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000124757454 839196137 /nfs/dbraw/zinc/19/61/37/839196137.db2.gz IKEDOICGFRRWLE-SIKLNZKXSA-N 2 1 389.559 3.506 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000415100670 839204705 /nfs/dbraw/zinc/20/47/05/839204705.db2.gz BCKBZQSIUKJZTA-IAGOWNOFSA-N 2 1 387.749 3.821 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415100597 839204739 /nfs/dbraw/zinc/20/47/39/839204739.db2.gz AVJNTQLJEWHOSU-QFIPXVFZSA-N 2 1 394.494 3.536 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415100597 839204740 /nfs/dbraw/zinc/20/47/40/839204740.db2.gz AVJNTQLJEWHOSU-QFIPXVFZSA-N 2 1 394.494 3.536 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)c(Cl)s3)CC2)C1 ZINC000415126787 839237594 /nfs/dbraw/zinc/23/75/94/839237594.db2.gz QDBYEFLSENBKBE-RISCZKNCSA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCCc3ccc(Cl)c(Cl)c3)C2)nn1 ZINC000415130722 839258460 /nfs/dbraw/zinc/25/84/60/839258460.db2.gz RLUFZAMGLKYVJF-INIZCTEOSA-N 2 1 382.339 3.703 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(C)c1F ZINC001143379960 839313247 /nfs/dbraw/zinc/31/32/47/839313247.db2.gz XFWYFAWDJGPYCI-UHFFFAOYSA-N 2 1 397.538 3.952 20 0 GHADMP C[C@H]([NH2+]CCc1nnc(-c2ccccc2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378572617 839350916 /nfs/dbraw/zinc/35/09/16/839350916.db2.gz PLBPSYLLXZSUQE-GHTZIAJQSA-N 2 1 376.504 3.779 20 0 GHADMP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549235966 839440406 /nfs/dbraw/zinc/44/04/06/839440406.db2.gz SQFJAHZOOZMMFN-XMMBUWISSA-N 2 1 399.000 3.667 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1)C[C@@H]1CCCCO1 ZINC000584529694 839551508 /nfs/dbraw/zinc/55/15/08/839551508.db2.gz UNIXCZNHPHYPTI-WFXMLNOXSA-N 2 1 390.572 3.713 20 0 GHADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1OC ZINC000580551926 839795308 /nfs/dbraw/zinc/79/53/08/839795308.db2.gz BYNPVRQTWKLZRO-RYQLBKOJSA-N 2 1 387.549 3.777 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1OC ZINC000580551926 839795313 /nfs/dbraw/zinc/79/53/13/839795313.db2.gz BYNPVRQTWKLZRO-RYQLBKOJSA-N 2 1 387.549 3.777 20 0 GHADMP C[N@H+]1CC[C@@H](NCc2ccnc(OC3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000580662171 839972011 /nfs/dbraw/zinc/97/20/11/839972011.db2.gz FWOAPKZKXXXDIT-IFMALSPDSA-N 2 1 381.520 3.565 20 0 GHADMP C[N@H+]1CC[C@H](NCc2ccnc(OC3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000580662183 839972520 /nfs/dbraw/zinc/97/25/20/839972520.db2.gz FWOAPKZKXXXDIT-UNMCSNQZSA-N 2 1 381.520 3.565 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000580797021 840192180 /nfs/dbraw/zinc/19/21/80/840192180.db2.gz NPOQVFUKDIUMBP-YKSBVNFPSA-N 2 1 382.548 3.850 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000418461281 840264158 /nfs/dbraw/zinc/26/41/58/840264158.db2.gz LMHJJXFAHLGPCH-MSYCTHLASA-N 2 1 394.563 3.901 20 0 GHADMP C[NH2+]CCC1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000416978029 840321986 /nfs/dbraw/zinc/32/19/86/840321986.db2.gz QOHGKQGXHXABFW-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511661417 840360403 /nfs/dbraw/zinc/36/04/03/840360403.db2.gz DFSYQYVJGFCUFM-RTWAWAEBSA-N 2 1 397.588 3.913 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000195237688 840434022 /nfs/dbraw/zinc/43/40/22/840434022.db2.gz HFIMLDHLSBVUOZ-OFNKIYASSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000432009325 840525432 /nfs/dbraw/zinc/52/54/32/840525432.db2.gz ZTKVXPZVXPLAKI-ZACQAIPSSA-N 2 1 391.522 3.522 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000236852335 840547475 /nfs/dbraw/zinc/54/74/75/840547475.db2.gz XJPAUUFRDSBXIJ-QGZVFWFLSA-N 2 1 395.526 3.705 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000417226727 840607101 /nfs/dbraw/zinc/60/71/01/840607101.db2.gz USQWVDRJVBZZPN-XZOQPEGZSA-N 2 1 398.595 3.638 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000581083144 840678209 /nfs/dbraw/zinc/67/82/09/840678209.db2.gz WKJIGPMRXAUQMX-QFIPXVFZSA-N 2 1 383.580 3.589 20 0 GHADMP c1ccc([C@@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@@H](c4ccccn4)C3)C2)nc1 ZINC000660628678 841023653 /nfs/dbraw/zinc/02/36/53/841023653.db2.gz VOPFHYDAWHXLJC-FGZHOGPDSA-N 2 1 394.563 3.552 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)O[C@H](C)C2 ZINC000581298022 841030755 /nfs/dbraw/zinc/03/07/55/841030755.db2.gz VYHJQTSDSOZVHY-MFMILTCTSA-N 2 1 384.495 3.641 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000276104038 841033412 /nfs/dbraw/zinc/03/34/12/841033412.db2.gz GHWVQDVABXFQPS-GOSISDBHSA-N 2 1 378.314 3.712 20 0 GHADMP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468954 841054149 /nfs/dbraw/zinc/05/41/49/841054149.db2.gz WJJYOBNIJPALDE-HYBUGGRVSA-N 2 1 387.531 3.577 20 0 GHADMP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656468954 841054154 /nfs/dbraw/zinc/05/41/54/841054154.db2.gz WJJYOBNIJPALDE-HYBUGGRVSA-N 2 1 387.531 3.577 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660675700 841089693 /nfs/dbraw/zinc/08/96/93/841089693.db2.gz KWPSKLBEWLGURZ-FPOVZHCZSA-N 2 1 398.595 3.633 20 0 GHADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(F)cc2I)cc1 ZINC000417844893 841215098 /nfs/dbraw/zinc/21/50/98/841215098.db2.gz QNZVMVKAJNOXOT-UHFFFAOYSA-N 2 1 398.263 3.782 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc3cnccc3o2)c1)C1CCOCC1 ZINC000651699343 841393599 /nfs/dbraw/zinc/39/35/99/841393599.db2.gz QYYLBUZSIXTGIK-UHFFFAOYSA-N 2 1 395.503 3.607 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000500090077 841407084 /nfs/dbraw/zinc/40/70/84/841407084.db2.gz OIOIVAVNOVUSAK-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000662739352 841521728 /nfs/dbraw/zinc/52/17/28/841521728.db2.gz MWWYKXHVOCSFJN-BPQIPLTHSA-N 2 1 397.485 3.593 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)o1 ZINC000510431117 841633350 /nfs/dbraw/zinc/63/33/50/841633350.db2.gz VEPCXDCGRDAAPX-FQEVSTJZSA-N 2 1 390.572 3.679 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000129550496 841741918 /nfs/dbraw/zinc/74/19/18/841741918.db2.gz YJQWNPNENDCURV-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000129550496 841741926 /nfs/dbraw/zinc/74/19/26/841741926.db2.gz YJQWNPNENDCURV-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c2C)cc1 ZINC000656782026 841912312 /nfs/dbraw/zinc/91/23/12/841912312.db2.gz CUORZAOFJFHPLK-JOCHJYFZSA-N 2 1 396.579 3.768 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418384950 841921162 /nfs/dbraw/zinc/92/11/62/841921162.db2.gz OZGYOAFZARHDDC-QIJUGHKUSA-N 2 1 386.584 3.589 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CN(c3ccccc3)CCO2)cc1 ZINC000581674455 841985884 /nfs/dbraw/zinc/98/58/84/841985884.db2.gz GKDRVBRIOJGYDV-WZONZLPQSA-N 2 1 376.504 3.737 20 0 GHADMP [NH3+][C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cccc(Cl)c1 ZINC000662920835 842003971 /nfs/dbraw/zinc/00/39/71/842003971.db2.gz YWCUCEOLJLRLKI-PZJWPPBQSA-N 2 1 397.950 3.758 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1csc(C)n1 ZINC001167825927 842054867 /nfs/dbraw/zinc/05/48/67/842054867.db2.gz UUHPXRXVZCBNPT-NSISKUIASA-N 2 1 392.613 3.527 20 0 GHADMP Fc1ccccc1COC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643251571 842102827 /nfs/dbraw/zinc/10/28/27/842102827.db2.gz WYXPFNLJPILFLA-UHFFFAOYSA-N 2 1 398.522 3.839 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000652287883 842148333 /nfs/dbraw/zinc/14/83/33/842148333.db2.gz LQQAEOSSLZBMPE-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512038662 842251066 /nfs/dbraw/zinc/25/10/66/842251066.db2.gz KWBHYDMWBYJNPT-LLVKDONJSA-N 2 1 386.334 3.827 20 0 GHADMP C(C[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661878173 842268274 /nfs/dbraw/zinc/26/82/74/842268274.db2.gz LZJDMQVJZSGVKN-MESAYYPLSA-N 2 1 378.601 3.939 20 0 GHADMP C(C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878173 842268285 /nfs/dbraw/zinc/26/82/85/842268285.db2.gz LZJDMQVJZSGVKN-MESAYYPLSA-N 2 1 378.601 3.939 20 0 GHADMP C(C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878173 842268294 /nfs/dbraw/zinc/26/82/94/842268294.db2.gz LZJDMQVJZSGVKN-MESAYYPLSA-N 2 1 378.601 3.939 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)c1 ZINC000432241375 842346869 /nfs/dbraw/zinc/34/68/69/842346869.db2.gz PAEXBABTMZGEPK-UHFFFAOYSA-N 2 1 398.309 3.714 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000511907707 842359217 /nfs/dbraw/zinc/35/92/17/842359217.db2.gz YVOXBGSMHJTLFM-FGZHOGPDSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000511907707 842359230 /nfs/dbraw/zinc/35/92/30/842359230.db2.gz YVOXBGSMHJTLFM-FGZHOGPDSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000511907707 842359241 /nfs/dbraw/zinc/35/92/41/842359241.db2.gz YVOXBGSMHJTLFM-FGZHOGPDSA-N 2 1 398.595 3.603 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000652361916 842370318 /nfs/dbraw/zinc/37/03/18/842370318.db2.gz SJMFHFVPBIGEJJ-UXPWSPDFSA-N 2 1 375.900 3.856 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000511909273 842378038 /nfs/dbraw/zinc/37/80/38/842378038.db2.gz IHBSUYOFUFZANW-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000511909273 842378049 /nfs/dbraw/zinc/37/80/49/842378049.db2.gz IHBSUYOFUFZANW-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000511909273 842378058 /nfs/dbraw/zinc/37/80/58/842378058.db2.gz IHBSUYOFUFZANW-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC000399026280 842417562 /nfs/dbraw/zinc/41/75/62/842417562.db2.gz JKRWSYSUDUFXCF-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CCCO1 ZINC000432426738 842455537 /nfs/dbraw/zinc/45/55/37/842455537.db2.gz USJLNUKUFRZBKJ-DNVCBOLYSA-N 2 1 381.358 3.991 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](CC)CC)cc1 ZINC000432435156 842490648 /nfs/dbraw/zinc/49/06/48/842490648.db2.gz POSDNTDPNJXALX-FKBYEOEOSA-N 2 1 386.584 3.558 20 0 GHADMP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)ccc21 ZINC000430686880 842554306 /nfs/dbraw/zinc/55/43/06/842554306.db2.gz OCOJJFMXYMDDOQ-UHFFFAOYSA-N 2 1 396.579 3.718 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000248878306 842694757 /nfs/dbraw/zinc/69/47/57/842694757.db2.gz JZQNRUYZGYDGKB-ACDBMABISA-N 2 1 381.486 3.798 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000581931213 842736164 /nfs/dbraw/zinc/73/61/64/842736164.db2.gz VZQZJIBFSKTUKQ-QWFCFKBJSA-N 2 1 381.524 3.564 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512174972 842750342 /nfs/dbraw/zinc/75/03/42/842750342.db2.gz IZGFHBBAHGKGCC-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP CCCn1c2ccccc2nc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512179683 842774449 /nfs/dbraw/zinc/77/44/49/842774449.db2.gz MMHQMBRJTLESLJ-RTBURBONSA-N 2 1 384.568 3.768 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000178334376 861353718 /nfs/dbraw/zinc/35/37/18/861353718.db2.gz GYDWKOQUGKUCLQ-XMMPIXPASA-N 2 1 398.547 3.688 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662291223 843081246 /nfs/dbraw/zinc/08/12/46/843081246.db2.gz PXPLPCYVAZIRJM-MRXNPFEDSA-N 2 1 394.441 3.967 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000178540741 861381488 /nfs/dbraw/zinc/38/14/88/861381488.db2.gz ZKTRZKGHMLFTRV-RPWUZVMVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000178540741 861381502 /nfs/dbraw/zinc/38/15/02/861381502.db2.gz ZKTRZKGHMLFTRV-RPWUZVMVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000178540741 861381514 /nfs/dbraw/zinc/38/15/14/861381514.db2.gz ZKTRZKGHMLFTRV-RPWUZVMVSA-N 2 1 391.559 3.875 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000051453937 843125243 /nfs/dbraw/zinc/12/52/43/843125243.db2.gz QNDYOAZAEMHOKM-UHFFFAOYSA-N 2 1 399.966 3.861 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000051453937 843125251 /nfs/dbraw/zinc/12/52/51/843125251.db2.gz QNDYOAZAEMHOKM-UHFFFAOYSA-N 2 1 399.966 3.861 20 0 GHADMP C[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313269 843133677 /nfs/dbraw/zinc/13/36/77/843133677.db2.gz INSRSLYCDBZDOA-SFGWALBWSA-N 2 1 385.577 3.793 20 0 GHADMP COc1cccc(CCC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430912891 843171861 /nfs/dbraw/zinc/17/18/61/843171861.db2.gz PPMVPLYQIVDDQS-UHFFFAOYSA-N 2 1 387.612 3.756 20 0 GHADMP COc1cccc(CCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430912891 843171866 /nfs/dbraw/zinc/17/18/66/843171866.db2.gz PPMVPLYQIVDDQS-UHFFFAOYSA-N 3 1 387.612 3.756 20 0 GHADMP COc1cccc(CCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430912891 843171877 /nfs/dbraw/zinc/17/18/77/843171877.db2.gz PPMVPLYQIVDDQS-UHFFFAOYSA-N 3 1 387.612 3.756 20 0 GHADMP Brc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000510677272 843182541 /nfs/dbraw/zinc/18/25/41/843182541.db2.gz AQSBRBPGIULSNR-SFHVURJKSA-N 2 1 379.342 3.671 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cnc12 ZINC000663345303 843257840 /nfs/dbraw/zinc/25/78/40/843257840.db2.gz ICJIUKPTUTZUKP-MRXNPFEDSA-N 2 1 391.357 3.617 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000663345303 843257852 /nfs/dbraw/zinc/25/78/52/843257852.db2.gz ICJIUKPTUTZUKP-MRXNPFEDSA-N 2 1 391.357 3.617 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000662484485 843322771 /nfs/dbraw/zinc/32/27/71/843322771.db2.gz LFNQLUDMYDCAMY-JTSKRJEESA-N 2 1 379.504 3.580 20 0 GHADMP CCN(C(=O)C[C@@H]1[NH2+]Cc2ccccc21)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662501936 843354287 /nfs/dbraw/zinc/35/42/87/843354287.db2.gz HMZANAYPQDJVKY-ZEYPLWLESA-N 2 1 377.532 3.905 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000066187491 843355492 /nfs/dbraw/zinc/35/54/92/843355492.db2.gz KJIIIMKUKBYNLD-QHCPKHFHSA-N 2 1 398.595 3.831 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000662512546 843377564 /nfs/dbraw/zinc/37/75/64/843377564.db2.gz SCGAVGFYVMHEQJ-COPCDDAFSA-N 2 1 397.950 3.894 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@@H]1c1ccc(Cl)cc1 ZINC000662512546 843377578 /nfs/dbraw/zinc/37/75/78/843377578.db2.gz SCGAVGFYVMHEQJ-COPCDDAFSA-N 2 1 397.950 3.894 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000662512545 843377711 /nfs/dbraw/zinc/37/77/11/843377711.db2.gz SCGAVGFYVMHEQJ-BVYCBKJFSA-N 2 1 397.950 3.894 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@H]1c1ccc(Cl)cc1 ZINC000662512545 843377715 /nfs/dbraw/zinc/37/77/15/843377715.db2.gz SCGAVGFYVMHEQJ-BVYCBKJFSA-N 2 1 397.950 3.894 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1NC(C)=O ZINC000165327083 843392384 /nfs/dbraw/zinc/39/23/84/843392384.db2.gz NJFJEEPZSZEIIA-RXVVDRJESA-N 2 1 395.547 3.869 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1NC(C)=O ZINC000165327083 843392392 /nfs/dbraw/zinc/39/23/92/843392392.db2.gz NJFJEEPZSZEIIA-RXVVDRJESA-N 2 1 395.547 3.869 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)C[C@@H](C)O1 ZINC000152023260 843403720 /nfs/dbraw/zinc/40/37/20/843403720.db2.gz VYZOZKRFLXVBJA-HZPDHXFCSA-N 2 1 375.488 3.678 20 0 GHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020970 843445762 /nfs/dbraw/zinc/44/57/62/843445762.db2.gz GGTRXAHNFYEILO-ZIAGYGMSSA-N 2 1 386.565 3.658 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418655762 843506480 /nfs/dbraw/zinc/50/64/80/843506480.db2.gz DEGTYKSYZYGPSZ-NRFANRHFSA-N 2 1 382.552 3.676 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418663078 843515909 /nfs/dbraw/zinc/51/59/09/843515909.db2.gz WGNREMAHKGAASA-TXTKFYIRSA-N 2 1 394.563 3.771 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000636840463 843516498 /nfs/dbraw/zinc/51/64/98/843516498.db2.gz NVXVXLUILVTMRZ-HKUYNNGSSA-N 2 1 392.613 3.647 20 0 GHADMP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000731041195 861427368 /nfs/dbraw/zinc/42/73/68/861427368.db2.gz VPDMBOKGHFMONE-FOYGFLCZSA-N 2 1 377.532 3.577 20 0 GHADMP CN(C(=O)c1ccc(C(F)F)o1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000626262040 843555917 /nfs/dbraw/zinc/55/59/17/843555917.db2.gz SUEGFCBGKPQYEP-HZPDHXFCSA-N 2 1 383.483 3.626 20 0 GHADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182395271 843734568 /nfs/dbraw/zinc/73/45/68/843734568.db2.gz GGAOSMHUULZGLI-UGKGYDQZSA-N 2 1 398.595 3.735 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512429316 843762863 /nfs/dbraw/zinc/76/28/63/843762863.db2.gz FLYHAMQEIVULJY-UGKGYDQZSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512429316 843762876 /nfs/dbraw/zinc/76/28/76/843762876.db2.gz FLYHAMQEIVULJY-UGKGYDQZSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1cccc(C)c1OCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512445129 843820662 /nfs/dbraw/zinc/82/06/62/843820662.db2.gz WRVZEEJVOVKEDT-XMMPIXPASA-N 2 1 393.575 3.574 20 0 GHADMP Cc1cccc(C)c1OCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512445129 843820676 /nfs/dbraw/zinc/82/06/76/843820676.db2.gz WRVZEEJVOVKEDT-XMMPIXPASA-N 2 1 393.575 3.574 20 0 GHADMP Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)c2C)no1 ZINC000728926200 844006452 /nfs/dbraw/zinc/00/64/52/844006452.db2.gz FJDJDUOQPUMMRG-UHFFFAOYSA-N 2 1 386.540 3.625 20 0 GHADMP Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)c2C)no1 ZINC000728926200 844006458 /nfs/dbraw/zinc/00/64/58/844006458.db2.gz FJDJDUOQPUMMRG-UHFFFAOYSA-N 2 1 386.540 3.625 20 0 GHADMP c1ncn(-c2cccc(C[NH2+][C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)n1 ZINC000512626309 844805573 /nfs/dbraw/zinc/80/55/73/844805573.db2.gz TUSCCMDOZCYPKP-QTJGBDASSA-N 2 1 387.531 3.658 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2csc(N3CCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513226737 845090214 /nfs/dbraw/zinc/09/02/14/845090214.db2.gz MFJMBQWRGFKHFY-ICSRJNTNSA-N 2 1 384.593 3.929 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2csc(N3CCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000513226737 845090295 /nfs/dbraw/zinc/09/02/95/845090295.db2.gz MFJMBQWRGFKHFY-ICSRJNTNSA-N 2 1 384.593 3.929 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)c1 ZINC000513399634 845367988 /nfs/dbraw/zinc/36/79/88/845367988.db2.gz PENHEKTWHZDWCX-OAQYLSRUSA-N 2 1 390.474 3.699 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614237010 845373360 /nfs/dbraw/zinc/37/33/60/845373360.db2.gz HAKVTDIQEQNVGC-UPVQGACJSA-N 2 1 391.559 3.504 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513435255 845432545 /nfs/dbraw/zinc/43/25/45/845432545.db2.gz ROERTYOTGYVYOA-PZJWPPBQSA-N 2 1 388.552 3.715 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513435255 845432558 /nfs/dbraw/zinc/43/25/58/845432558.db2.gz ROERTYOTGYVYOA-PZJWPPBQSA-N 2 1 388.552 3.715 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2-c2ccccc2)CC1 ZINC000237122401 845462429 /nfs/dbraw/zinc/46/24/29/845462429.db2.gz IGAOHIMFAOOPPA-UHFFFAOYSA-N 2 1 384.520 3.571 20 0 GHADMP COc1cccc(C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000513487559 845520625 /nfs/dbraw/zinc/52/06/25/845520625.db2.gz GRYMWSFNDFIQQY-DEOSSOPVSA-N 2 1 380.532 3.638 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000419258146 845571293 /nfs/dbraw/zinc/57/12/93/845571293.db2.gz BBFXNYUMWDBHBR-ROUUACIJSA-N 2 1 383.580 3.738 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000411549884 845580403 /nfs/dbraw/zinc/58/04/03/845580403.db2.gz IHXMEXDWZZFLMC-HRAATJIYSA-N 2 1 387.474 3.794 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCc3cn(C)c4cc(F)ccc34)sc2C1 ZINC000472065773 845665590 /nfs/dbraw/zinc/66/55/90/845665590.db2.gz ODSOOKJIJXUODU-UHFFFAOYSA-N 2 1 386.540 3.873 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000277315898 845696516 /nfs/dbraw/zinc/69/65/16/845696516.db2.gz UWRLWLAXTXTIBZ-DNQXCXABSA-N 3 1 386.628 3.519 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156966556 845777879 /nfs/dbraw/zinc/77/78/79/845777879.db2.gz RWQXRTLXTRKQAZ-GCJKJVERSA-N 2 1 395.547 3.633 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)[C@H](C)C1 ZINC000892105661 845815386 /nfs/dbraw/zinc/81/53/86/845815386.db2.gz NFBJZVQRCDMBLP-FZKQIMNGSA-N 2 1 382.346 3.570 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)[C@H](C)C1 ZINC000892105661 845815395 /nfs/dbraw/zinc/81/53/95/845815395.db2.gz NFBJZVQRCDMBLP-FZKQIMNGSA-N 2 1 382.346 3.570 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)[C@H](C)C1 ZINC000892105661 845815404 /nfs/dbraw/zinc/81/54/04/845815404.db2.gz NFBJZVQRCDMBLP-FZKQIMNGSA-N 2 1 382.346 3.570 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)[C@H](C)C1 ZINC000892105661 845815410 /nfs/dbraw/zinc/81/54/10/845815410.db2.gz NFBJZVQRCDMBLP-FZKQIMNGSA-N 2 1 382.346 3.570 20 0 GHADMP COc1ccnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1OC ZINC000474968825 861616633 /nfs/dbraw/zinc/61/66/33/861616633.db2.gz FOQSRFBGUPGVHL-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP COc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1OC ZINC000474968825 861616642 /nfs/dbraw/zinc/61/66/42/861616642.db2.gz FOQSRFBGUPGVHL-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)cc2)C1 ZINC000657310880 846001858 /nfs/dbraw/zinc/00/18/58/846001858.db2.gz QTNIOSPHMJTXQG-IBGZPJMESA-N 3 1 375.520 3.789 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccncc3)cc2)C1 ZINC000657310880 846001864 /nfs/dbraw/zinc/00/18/64/846001864.db2.gz QTNIOSPHMJTXQG-IBGZPJMESA-N 2 1 375.520 3.789 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccncc3)cc2)C1 ZINC000657310880 846001877 /nfs/dbraw/zinc/00/18/77/846001877.db2.gz QTNIOSPHMJTXQG-IBGZPJMESA-N 2 1 375.520 3.789 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1)C(C)C ZINC000179561699 861634975 /nfs/dbraw/zinc/63/49/75/861634975.db2.gz XZQURTUIBCUAFV-UHFFFAOYSA-N 2 1 394.563 3.958 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN3C[C@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358358 846170871 /nfs/dbraw/zinc/17/08/71/846170871.db2.gz BTWWOELPODLZBP-HZPDHXFCSA-N 2 1 393.597 3.852 20 0 GHADMP CC(C)N1CCc2nc(CN3C[C@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358358 846170876 /nfs/dbraw/zinc/17/08/76/846170876.db2.gz BTWWOELPODLZBP-HZPDHXFCSA-N 2 1 393.597 3.852 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN3C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358357 846171286 /nfs/dbraw/zinc/17/12/86/846171286.db2.gz BTWWOELPODLZBP-HOTGVXAUSA-N 2 1 393.597 3.852 20 0 GHADMP CC(C)N1CCc2nc(CN3C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]3C)sc2C1 ZINC000421358357 846171291 /nfs/dbraw/zinc/17/12/91/846171291.db2.gz BTWWOELPODLZBP-HOTGVXAUSA-N 2 1 393.597 3.852 20 0 GHADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1 ZINC000502547644 846187340 /nfs/dbraw/zinc/18/73/40/846187340.db2.gz WFYLPRDABNXKNI-NFBKMPQASA-N 2 1 396.575 3.636 20 0 GHADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1 ZINC000502547644 846187343 /nfs/dbraw/zinc/18/73/43/846187343.db2.gz WFYLPRDABNXKNI-NFBKMPQASA-N 2 1 396.575 3.636 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000280349783 846370741 /nfs/dbraw/zinc/37/07/41/846370741.db2.gz REIWJYKAAWLOGJ-SJORKVTESA-N 2 1 398.551 3.861 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1)C1CC1 ZINC000511081838 846439016 /nfs/dbraw/zinc/43/90/16/846439016.db2.gz XBOFEXHJXWEPSN-JOCHJYFZSA-N 2 1 383.511 3.843 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502852452 846546050 /nfs/dbraw/zinc/54/60/50/846546050.db2.gz GHQCIPYNFBBYGW-CBGDNZLLSA-N 2 1 395.950 3.853 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000501023813 846558204 /nfs/dbraw/zinc/55/82/04/846558204.db2.gz AARPDQIBFJYSEJ-OAQYLSRUSA-N 2 1 398.938 3.689 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000502875562 846560699 /nfs/dbraw/zinc/56/06/99/846560699.db2.gz MMBJHUGIVDWIGH-OYRHEFFESA-N 2 1 388.600 3.518 20 0 GHADMP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000502877771 846564154 /nfs/dbraw/zinc/56/41/54/846564154.db2.gz WTOPZMPJGDYNTQ-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000502877771 846564164 /nfs/dbraw/zinc/56/41/64/846564164.db2.gz WTOPZMPJGDYNTQ-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064417 846595848 /nfs/dbraw/zinc/59/58/48/846595848.db2.gz WTBBWTJPITXROS-OALUTQOASA-N 2 1 392.547 3.596 20 0 GHADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000502924072 846620424 /nfs/dbraw/zinc/62/04/24/846620424.db2.gz GNOAGNQKXLAGOY-LJQANCHMSA-N 2 1 394.563 3.651 20 0 GHADMP C[N@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501084370 846628203 /nfs/dbraw/zinc/62/82/03/846628203.db2.gz WSPADVBEXYMLML-DEOSSOPVSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C(C)C)c(F)c1 ZINC000421842076 846632704 /nfs/dbraw/zinc/63/27/04/846632704.db2.gz KOKXRDYJEURZIH-FDFHNCONSA-N 2 1 378.532 3.889 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C(C)C)c(F)c1 ZINC000421842078 846632731 /nfs/dbraw/zinc/63/27/31/846632731.db2.gz KOKXRDYJEURZIH-YPAWHYETSA-N 2 1 378.532 3.889 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000513707589 846658097 /nfs/dbraw/zinc/65/80/97/846658097.db2.gz FZQNHWJRUUZESB-AOMIVXANSA-N 2 1 395.522 3.964 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1)c1ccccc1 ZINC000502957040 846663240 /nfs/dbraw/zinc/66/32/40/846663240.db2.gz DRXRFDKGWIVZJU-SESVDKBCSA-N 2 1 384.568 3.576 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000502960634 846664750 /nfs/dbraw/zinc/66/47/50/846664750.db2.gz OKDFUUCITAYQOH-CEWLAPEOSA-N 2 1 386.584 3.822 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501150359 846698482 /nfs/dbraw/zinc/69/84/82/846698482.db2.gz LNXGLYKDSTWESV-MJGOQNOKSA-N 2 1 380.602 3.695 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC12CCOCC2 ZINC000582241805 846713513 /nfs/dbraw/zinc/71/35/13/846713513.db2.gz KKYBNXMMPNZXMY-HXUWFJFHSA-N 2 1 384.495 3.592 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH2+][C@H](C)c1ccccc1 ZINC000503079081 846783069 /nfs/dbraw/zinc/78/30/69/846783069.db2.gz AMWKDZKRAUGAQX-NRSPTQNISA-N 2 1 386.584 3.822 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000501321231 846832715 /nfs/dbraw/zinc/83/27/15/846832715.db2.gz KEORVHPQXWCFSZ-ZRBLBEILSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501321231 846832720 /nfs/dbraw/zinc/83/27/20/846832720.db2.gz KEORVHPQXWCFSZ-ZRBLBEILSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501321231 846832722 /nfs/dbraw/zinc/83/27/22/846832722.db2.gz KEORVHPQXWCFSZ-ZRBLBEILSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000271867047 846939420 /nfs/dbraw/zinc/93/94/20/846939420.db2.gz LUTVQMAPSNNJFV-SFHVURJKSA-N 2 1 376.504 3.826 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000501520145 846980450 /nfs/dbraw/zinc/98/04/50/846980450.db2.gz LKCIJSJLPDRMKY-RBUKOAKNSA-N 2 1 390.572 3.649 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000501531487 846988432 /nfs/dbraw/zinc/98/84/32/846988432.db2.gz FBJDFHQPSHTPAM-MOPGFXCFSA-N 2 1 390.572 3.792 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000272115977 846994761 /nfs/dbraw/zinc/99/47/61/846994761.db2.gz OMDHSWCMQMSBJB-UHFFFAOYSA-N 2 1 386.565 3.592 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000501574953 847032647 /nfs/dbraw/zinc/03/26/47/847032647.db2.gz JVKRMWOLZFWYPJ-BGYRXZFFSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000501574953 847032655 /nfs/dbraw/zinc/03/26/55/847032655.db2.gz JVKRMWOLZFWYPJ-BGYRXZFFSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000501574953 847032662 /nfs/dbraw/zinc/03/26/62/847032662.db2.gz JVKRMWOLZFWYPJ-BGYRXZFFSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000272293599 847039883 /nfs/dbraw/zinc/03/98/83/847039883.db2.gz FQMMWDJCDFTKLX-WFXMLNOXSA-N 2 1 377.532 3.767 20 0 GHADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272311287 847044427 /nfs/dbraw/zinc/04/44/27/847044427.db2.gz IZJRJSNNMSYESQ-ZJOUEHCJSA-N 2 1 395.547 3.913 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552335 847108792 /nfs/dbraw/zinc/10/87/92/847108792.db2.gz FLSTVNIQQDATOQ-RDPSFJRHSA-N 2 1 391.559 3.809 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272682507 847144271 /nfs/dbraw/zinc/14/42/71/847144271.db2.gz SUBMGSYAMSLVPK-GHTZIAJQSA-N 2 1 381.520 3.524 20 0 GHADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1SC ZINC000272740612 847160274 /nfs/dbraw/zinc/16/02/74/847160274.db2.gz KWKPTCDQNADHJB-OXQOHEQNSA-N 2 1 386.561 3.835 20 0 GHADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000420409986 847173499 /nfs/dbraw/zinc/17/34/99/847173499.db2.gz XUHJPFKXRZPJPB-TZRRMPRUSA-N 2 1 391.559 3.551 20 0 GHADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000420409986 847173504 /nfs/dbraw/zinc/17/35/04/847173504.db2.gz XUHJPFKXRZPJPB-TZRRMPRUSA-N 2 1 391.559 3.551 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000511123130 847212889 /nfs/dbraw/zinc/21/28/89/847212889.db2.gz PMZOPNSHJZNQOV-XMMPIXPASA-N 2 1 391.559 3.679 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000501826594 847215259 /nfs/dbraw/zinc/21/52/59/847215259.db2.gz KAWHMNJKSILNRO-GXKRZCMTSA-N 2 1 386.584 3.630 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429744 847244094 /nfs/dbraw/zinc/24/40/94/847244094.db2.gz KAFPPSVIBVRJCC-NGYIFUPDSA-N 2 1 380.532 3.855 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501837252 847268503 /nfs/dbraw/zinc/26/85/03/847268503.db2.gz ORHPJBVIVIAFPM-DEOSSOPVSA-N 2 1 391.559 3.606 20 0 GHADMP CC(C)Sc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000511141016 847412802 /nfs/dbraw/zinc/41/28/02/847412802.db2.gz AQODSWTYAHICDL-UHFFFAOYSA-N 2 1 389.609 3.563 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000420951242 847571800 /nfs/dbraw/zinc/57/18/00/847571800.db2.gz SJBBQNUJKCQYDG-FQEVSTJZSA-N 2 1 379.548 3.970 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000657470953 847638803 /nfs/dbraw/zinc/63/88/03/847638803.db2.gz XDFYBSUTLBZBPN-KRWDZBQOSA-N 2 1 380.458 3.831 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000657470953 847638805 /nfs/dbraw/zinc/63/88/05/847638805.db2.gz XDFYBSUTLBZBPN-KRWDZBQOSA-N 2 1 380.458 3.831 20 0 GHADMP OCC[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](CCO)CC3)cc2)CC1 ZINC000421017492 847639091 /nfs/dbraw/zinc/63/90/91/847639091.db2.gz NIKFBVWIECKGGY-FGZHOGPDSA-N 2 1 388.596 3.656 20 0 GHADMP COc1ccc([C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422721816 847796183 /nfs/dbraw/zinc/79/61/83/847796183.db2.gz WAVICWBEPUQQQO-TUSQITKMSA-N 2 1 393.575 3.643 20 0 GHADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](N)c4ccccc43)CC2)c1 ZINC000422805471 847831390 /nfs/dbraw/zinc/83/13/90/847831390.db2.gz GZLLJHZQBJPYLM-BJKOFHAPSA-N 2 1 378.564 3.632 20 0 GHADMP COc1ccc([C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422851904 847855061 /nfs/dbraw/zinc/85/50/61/847855061.db2.gz XMESBZYVWAKNMX-PKTZIBPZSA-N 2 1 380.532 3.826 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000611671781 847873386 /nfs/dbraw/zinc/87/33/86/847873386.db2.gz LSUPYXJRRNJMOF-DHIUTWEWSA-N 2 1 394.563 3.768 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000611671781 847873395 /nfs/dbraw/zinc/87/33/95/847873395.db2.gz LSUPYXJRRNJMOF-DHIUTWEWSA-N 2 1 394.563 3.768 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911550 847884106 /nfs/dbraw/zinc/88/41/06/847884106.db2.gz KYHJRNGHOCFASP-VWNXMTODSA-N 3 1 379.548 3.872 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911550 847884111 /nfs/dbraw/zinc/88/41/11/847884111.db2.gz KYHJRNGHOCFASP-VWNXMTODSA-N 2 1 379.548 3.872 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911550 847884117 /nfs/dbraw/zinc/88/41/17/847884117.db2.gz KYHJRNGHOCFASP-VWNXMTODSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000503726812 847924937 /nfs/dbraw/zinc/92/49/37/847924937.db2.gz MFZHRQSCJZQRBR-NQIIRXRSSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000611687763 847959692 /nfs/dbraw/zinc/95/96/92/847959692.db2.gz ZRHQWFBVRJMBKX-PXNSSMCTSA-N 2 1 392.975 3.651 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657538049 848129534 /nfs/dbraw/zinc/12/95/34/848129534.db2.gz WUAXSENOPSZTTI-OFNKIYASSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657538049 848129537 /nfs/dbraw/zinc/12/95/37/848129537.db2.gz WUAXSENOPSZTTI-OFNKIYASSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657538045 848129768 /nfs/dbraw/zinc/12/97/68/848129768.db2.gz WUAXSENOPSZTTI-NFBKMPQASA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657538045 848129771 /nfs/dbraw/zinc/12/97/71/848129771.db2.gz WUAXSENOPSZTTI-NFBKMPQASA-N 3 1 385.596 3.520 20 0 GHADMP COc1cccc(OC)c1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000657585063 848262472 /nfs/dbraw/zinc/26/24/72/848262472.db2.gz AGWQKJYJFYTLLC-UHFFFAOYSA-N 2 1 383.536 3.524 20 0 GHADMP Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)cs2)cc1 ZINC000657595321 848286984 /nfs/dbraw/zinc/28/69/84/848286984.db2.gz OTQPSZJARWVKNF-JOCHJYFZSA-N 2 1 393.556 3.975 20 0 GHADMP Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)cs2)cc1 ZINC000657595321 848286994 /nfs/dbraw/zinc/28/69/94/848286994.db2.gz OTQPSZJARWVKNF-JOCHJYFZSA-N 2 1 393.556 3.975 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3OC(F)F)cc2)C1 ZINC000657595560 848292305 /nfs/dbraw/zinc/29/23/05/848292305.db2.gz QUSMIROEVQQSAZ-SFHVURJKSA-N 2 1 396.865 3.798 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000472267152 848492993 /nfs/dbraw/zinc/49/29/93/848492993.db2.gz BUJJYCLIPNSHNQ-QGZVFWFLSA-N 2 1 379.451 3.553 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000472267152 848492999 /nfs/dbraw/zinc/49/29/99/848492999.db2.gz BUJJYCLIPNSHNQ-QGZVFWFLSA-N 2 1 379.451 3.553 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@H](C)Cn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000582862899 848578069 /nfs/dbraw/zinc/57/80/69/848578069.db2.gz WQRCGGMGHNCNLP-SIKLNZKXSA-N 2 1 397.567 3.524 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000582862899 848578084 /nfs/dbraw/zinc/57/80/84/848578084.db2.gz WQRCGGMGHNCNLP-SIKLNZKXSA-N 2 1 397.567 3.524 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000180165909 861990141 /nfs/dbraw/zinc/99/01/41/861990141.db2.gz WMAGAEMJCOGNPV-FPOVZHCZSA-N 2 1 377.488 3.670 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000458418851 849270392 /nfs/dbraw/zinc/27/03/92/849270392.db2.gz GNSNIOFPXJWNIP-OAQYLSRUSA-N 2 1 398.551 3.536 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C1 ZINC000458418851 849270403 /nfs/dbraw/zinc/27/04/03/849270403.db2.gz GNSNIOFPXJWNIP-OAQYLSRUSA-N 2 1 398.551 3.536 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000458418851 849270411 /nfs/dbraw/zinc/27/04/11/849270411.db2.gz GNSNIOFPXJWNIP-OAQYLSRUSA-N 2 1 398.551 3.536 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000458418851 849270421 /nfs/dbraw/zinc/27/04/21/849270421.db2.gz GNSNIOFPXJWNIP-OAQYLSRUSA-N 2 1 398.551 3.536 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000511235038 849323071 /nfs/dbraw/zinc/32/30/71/849323071.db2.gz PKBCKRDOFKUQMQ-OALUTQOASA-N 2 1 386.584 3.846 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458443824 849398565 /nfs/dbraw/zinc/39/85/65/849398565.db2.gz XECWPZOMZCINRH-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458443824 849398569 /nfs/dbraw/zinc/39/85/69/849398569.db2.gz XECWPZOMZCINRH-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125756127 849579958 /nfs/dbraw/zinc/57/99/58/849579958.db2.gz SCAWSHUDMMVXBL-MRXNPFEDSA-N 2 1 383.517 3.576 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1c(C)noc1C ZINC000155799302 849643538 /nfs/dbraw/zinc/64/35/38/849643538.db2.gz SDZVBVVJSNZDHI-UWJYYQICSA-N 2 1 398.551 3.501 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140672 849772417 /nfs/dbraw/zinc/77/24/17/849772417.db2.gz ZCDJGPOFCOOUFA-GMKZXUHWSA-N 2 1 399.623 3.816 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140672 849772420 /nfs/dbraw/zinc/77/24/20/849772420.db2.gz ZCDJGPOFCOOUFA-GMKZXUHWSA-N 3 1 399.623 3.816 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140672 849772424 /nfs/dbraw/zinc/77/24/24/849772424.db2.gz ZCDJGPOFCOOUFA-GMKZXUHWSA-N 3 1 399.623 3.816 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000150968185 849786335 /nfs/dbraw/zinc/78/63/35/849786335.db2.gz ADAGOENODLKSCF-IBGZPJMESA-N 2 1 397.485 3.833 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000150968185 849786336 /nfs/dbraw/zinc/78/63/36/849786336.db2.gz ADAGOENODLKSCF-IBGZPJMESA-N 2 1 397.485 3.833 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2cccc(Br)c2)CC1)c1c[nH+]ccc1N ZINC000423177294 849787547 /nfs/dbraw/zinc/78/75/47/849787547.db2.gz HBBDRKCAUUOCTP-AWEZNQCLSA-N 2 1 389.341 3.572 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1F ZINC000503967162 849793142 /nfs/dbraw/zinc/79/31/42/849793142.db2.gz XZRFACNHVDXUEM-UHFFFAOYSA-N 2 1 389.519 3.580 20 0 GHADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000423277693 849847371 /nfs/dbraw/zinc/84/73/71/849847371.db2.gz PUHKTYVKLLZZJW-QEORTHHSSA-N 2 1 392.345 3.506 20 0 GHADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000423277694 849847475 /nfs/dbraw/zinc/84/74/75/849847475.db2.gz PUHKTYVKLLZZJW-RVSPLBMKSA-N 2 1 392.345 3.506 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000514437804 849854204 /nfs/dbraw/zinc/85/42/04/849854204.db2.gz GBSCDAHTTYJZQO-PMACEKPBSA-N 2 1 398.576 3.583 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000514437804 849854212 /nfs/dbraw/zinc/85/42/12/849854212.db2.gz GBSCDAHTTYJZQO-PMACEKPBSA-N 2 1 398.576 3.583 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000504031481 849857736 /nfs/dbraw/zinc/85/77/36/849857736.db2.gz DPRUPIUUJXFRNE-UFYCRDLUSA-N 2 1 381.511 3.772 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000504031481 849857740 /nfs/dbraw/zinc/85/77/40/849857740.db2.gz DPRUPIUUJXFRNE-UFYCRDLUSA-N 2 1 381.511 3.772 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@H]4CC[N@H+](C)C[C@H]43)c2cc1Br ZINC000425251654 849924911 /nfs/dbraw/zinc/92/49/11/849924911.db2.gz YDRXXYSIYVAAFY-SJKOYZFVSA-N 2 1 376.298 3.536 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2cc1Br ZINC000425251654 849924918 /nfs/dbraw/zinc/92/49/18/849924918.db2.gz YDRXXYSIYVAAFY-SJKOYZFVSA-N 2 1 376.298 3.536 20 0 GHADMP Brc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)cc1 ZINC000423501857 849944577 /nfs/dbraw/zinc/94/45/77/849944577.db2.gz DETXQBOIJHADPT-SOAGJPPSSA-N 2 1 392.385 3.706 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000504418591 850065564 /nfs/dbraw/zinc/06/55/64/850065564.db2.gz KTVFDHBTLKZYAI-IRLDBZIGSA-N 2 1 388.600 3.657 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1OC ZINC000424288540 850333431 /nfs/dbraw/zinc/33/34/31/850333431.db2.gz KMYIRLSGEVBWPL-OAHLLOKOSA-N 2 1 387.549 3.791 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424281435 850351415 /nfs/dbraw/zinc/35/14/15/850351415.db2.gz NMPSEEGBAYUVAI-VXKWHMMOSA-N 2 1 393.556 3.783 20 0 GHADMP COc1ccc(OCc2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424368976 850409819 /nfs/dbraw/zinc/40/98/19/850409819.db2.gz AZLWHJSLWNHQEX-MRXNPFEDSA-N 2 1 387.549 3.695 20 0 GHADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[NH+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487049377 850413972 /nfs/dbraw/zinc/41/39/72/850413972.db2.gz SLYJZFBAHHNOCM-ALQDCCJHSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[NH+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487049377 850413977 /nfs/dbraw/zinc/41/39/77/850413977.db2.gz SLYJZFBAHHNOCM-ALQDCCJHSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487049377 850413983 /nfs/dbraw/zinc/41/39/83/850413983.db2.gz SLYJZFBAHHNOCM-ALQDCCJHSA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487049377 850413990 /nfs/dbraw/zinc/41/39/90/850413990.db2.gz SLYJZFBAHHNOCM-ALQDCCJHSA-N 2 1 395.950 3.707 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435373336 850420780 /nfs/dbraw/zinc/42/07/80/850420780.db2.gz DRPDAUIIYDCFFF-BWAGFHJFSA-N 2 1 379.504 3.507 20 0 GHADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000668739946 850456399 /nfs/dbraw/zinc/45/63/99/850456399.db2.gz PZQYRYJZIIALFI-JOCHJYFZSA-N 2 1 386.486 3.628 20 0 GHADMP c1cc(C[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435430483 850514889 /nfs/dbraw/zinc/51/48/89/850514889.db2.gz BXQOHXNEODUYCD-HXUWFJFHSA-N 2 1 382.577 3.888 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435446404 850535715 /nfs/dbraw/zinc/53/57/15/850535715.db2.gz KCDWLYNEOLMFCR-KRWDZBQOSA-N 2 1 377.330 3.517 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435446404 850535722 /nfs/dbraw/zinc/53/57/22/850535722.db2.gz KCDWLYNEOLMFCR-KRWDZBQOSA-N 2 1 377.330 3.517 20 0 GHADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])cc(Br)c1OCc1ccccc1 ZINC000414805469 850593827 /nfs/dbraw/zinc/59/38/27/850593827.db2.gz PCZCONAQEVBCHE-UHFFFAOYSA-N 2 1 393.325 3.864 20 0 GHADMP CCOc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435696889 850777461 /nfs/dbraw/zinc/77/74/61/850777461.db2.gz QPJJHRNPRJYWMB-FQEVSTJZSA-N 2 1 399.560 3.730 20 0 GHADMP CCOc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435696889 850777467 /nfs/dbraw/zinc/77/74/67/850777467.db2.gz QPJJHRNPRJYWMB-FQEVSTJZSA-N 2 1 399.560 3.730 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000519225950 850779726 /nfs/dbraw/zinc/77/97/26/850779726.db2.gz ADPJMBADTWKDNA-ROUUACIJSA-N 2 1 377.548 3.835 20 0 GHADMP [NH3+][C@@H](CNC1CC[NH+](Cc2ccccc2Br)CC1)c1ccccc1 ZINC000414825194 850796407 /nfs/dbraw/zinc/79/64/07/850796407.db2.gz BXPFCJMYUWXDOO-FQEVSTJZSA-N 2 1 388.353 3.703 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414832425 850870569 /nfs/dbraw/zinc/87/05/69/850870569.db2.gz DMEIZYDVTJZNOR-SUMWQHHRSA-N 2 1 382.346 3.663 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000519293960 850876007 /nfs/dbraw/zinc/87/60/07/850876007.db2.gz ZHXBAHCYGDDUBS-SIKLNZKXSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000519293960 850876018 /nfs/dbraw/zinc/87/60/18/850876018.db2.gz ZHXBAHCYGDDUBS-SIKLNZKXSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000519293960 850876026 /nfs/dbraw/zinc/87/60/26/850876026.db2.gz ZHXBAHCYGDDUBS-SIKLNZKXSA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000513847350 850946790 /nfs/dbraw/zinc/94/67/90/850946790.db2.gz JIXFKHYTBMHCFA-SFHVURJKSA-N 2 1 388.581 3.561 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000487927581 850997139 /nfs/dbraw/zinc/99/71/39/850997139.db2.gz ZXQTVIPRIVJGFV-IRLDBZIGSA-N 2 1 388.600 3.705 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C2CC2)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000519390995 850997510 /nfs/dbraw/zinc/99/75/10/850997510.db2.gz PJKLMGVJHDQAQT-HSZRJFAPSA-N 2 1 399.579 3.745 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)[C@@H](C)C2 ZINC000180503903 862196656 /nfs/dbraw/zinc/19/66/56/862196656.db2.gz QLVTZZXVZMGBFO-JKFKMHIGSA-N 2 1 391.559 3.715 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c2cccs2)CC1 ZINC000519475031 851104441 /nfs/dbraw/zinc/10/44/41/851104441.db2.gz IVXZDBGBTYQBQA-CTNGQTDRSA-N 2 1 385.577 3.940 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514040011 851144874 /nfs/dbraw/zinc/14/48/74/851144874.db2.gz SFKLRTDJLHKJMX-XPWALMASSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000514040011 851144879 /nfs/dbraw/zinc/14/48/79/851144879.db2.gz SFKLRTDJLHKJMX-XPWALMASSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000514040011 851144887 /nfs/dbraw/zinc/14/48/87/851144887.db2.gz SFKLRTDJLHKJMX-XPWALMASSA-N 2 1 398.595 3.699 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc12 ZINC001167968574 851276508 /nfs/dbraw/zinc/27/65/08/851276508.db2.gz RROQUGMODCWCPA-NNYGOGDTSA-N 2 1 395.547 3.652 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167968574 851276519 /nfs/dbraw/zinc/27/65/19/851276519.db2.gz RROQUGMODCWCPA-NNYGOGDTSA-N 2 1 395.547 3.652 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000514236854 851443120 /nfs/dbraw/zinc/44/31/20/851443120.db2.gz ZGYVTYQSOHYMLB-VWPQPMDRSA-N 2 1 386.584 3.694 20 0 GHADMP COc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167974351 851664472 /nfs/dbraw/zinc/66/44/72/851664472.db2.gz XJDXLDKZHILLGJ-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP COc1cccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167974351 851664484 /nfs/dbraw/zinc/66/44/84/851664484.db2.gz XJDXLDKZHILLGJ-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP COc1cccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167974351 851664491 /nfs/dbraw/zinc/66/44/91/851664491.db2.gz XJDXLDKZHILLGJ-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP Cc1noc(CCC[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835331 851797534 /nfs/dbraw/zinc/79/75/34/851797534.db2.gz DGBBAWLUZBXMSA-QFIPXVFZSA-N 2 1 382.552 3.933 20 0 GHADMP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000506852784 851803130 /nfs/dbraw/zinc/80/31/30/851803130.db2.gz ZBLGWJHCUSSXKY-UHFFFAOYSA-N 2 1 398.551 3.603 20 0 GHADMP COc1ccccc1CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCOCC1 ZINC001167979095 851936246 /nfs/dbraw/zinc/93/62/46/851936246.db2.gz VCFQRDJDSBVHKV-FRIKZZABSA-N 2 1 384.564 3.782 20 0 GHADMP COCCOc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515929898 851953901 /nfs/dbraw/zinc/95/39/01/851953901.db2.gz NYZMHVJXYNIUJF-FYYLOGMGSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515929898 851953908 /nfs/dbraw/zinc/95/39/08/851953908.db2.gz NYZMHVJXYNIUJF-FYYLOGMGSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515929898 851953920 /nfs/dbraw/zinc/95/39/20/851953920.db2.gz NYZMHVJXYNIUJF-FYYLOGMGSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515929898 851953923 /nfs/dbraw/zinc/95/39/23/851953923.db2.gz NYZMHVJXYNIUJF-FYYLOGMGSA-N 2 1 380.532 3.666 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000111814066 851954262 /nfs/dbraw/zinc/95/42/62/851954262.db2.gz FWTNJMJFVWVAHS-LJQANCHMSA-N 2 1 386.584 3.733 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550214641 851971433 /nfs/dbraw/zinc/97/14/33/851971433.db2.gz WCZJMDANRXBXMQ-FQEVSTJZSA-N 2 1 399.966 3.788 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550214641 851971441 /nfs/dbraw/zinc/97/14/41/851971441.db2.gz WCZJMDANRXBXMQ-FQEVSTJZSA-N 2 1 399.966 3.788 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489058746 851974469 /nfs/dbraw/zinc/97/44/69/851974469.db2.gz PRHFOABCXPRMRB-HSZRJFAPSA-N 2 1 386.584 3.605 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467347620 852131047 /nfs/dbraw/zinc/13/10/47/852131047.db2.gz PEQPWMMGCZVZDR-ICSRJNTNSA-N 2 1 377.960 3.748 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCSc2ccccc2Cl)CC1 ZINC000517652718 852208433 /nfs/dbraw/zinc/20/84/33/852208433.db2.gz SNIWPFCSFIWVTG-UHFFFAOYSA-N 2 1 390.940 3.608 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517740589 852329186 /nfs/dbraw/zinc/32/91/86/852329186.db2.gz WRTOHNKTTINEAK-HSALFYBXSA-N 2 1 380.621 3.506 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517740589 852329200 /nfs/dbraw/zinc/32/92/00/852329200.db2.gz WRTOHNKTTINEAK-HSALFYBXSA-N 2 1 380.621 3.506 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517740589 852329213 /nfs/dbraw/zinc/32/92/13/852329213.db2.gz WRTOHNKTTINEAK-HSALFYBXSA-N 2 1 380.621 3.506 20 0 GHADMP C[C@@H]1[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1c1ccccc1 ZINC000366729029 852542788 /nfs/dbraw/zinc/54/27/88/852542788.db2.gz ULWWHRROVBXRBH-WDJPJFJCSA-N 2 1 397.607 3.691 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506295081 852628667 /nfs/dbraw/zinc/62/86/67/852628667.db2.gz NURNWHTYSLFBQP-HDICACEKSA-N 2 1 390.572 3.505 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000489871871 852639189 /nfs/dbraw/zinc/63/91/89/852639189.db2.gz NRLHZQGCQZTNCX-DHIUTWEWSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000489871871 852639197 /nfs/dbraw/zinc/63/91/97/852639197.db2.gz NRLHZQGCQZTNCX-DHIUTWEWSA-N 2 1 395.547 3.641 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC001127072325 852652729 /nfs/dbraw/zinc/65/27/29/852652729.db2.gz OXFDBJZCNKMQIL-KEZOAJOQSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001127072325 852652733 /nfs/dbraw/zinc/65/27/33/852652733.db2.gz OXFDBJZCNKMQIL-KEZOAJOQSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001127072325 852652739 /nfs/dbraw/zinc/65/27/39/852652739.db2.gz OXFDBJZCNKMQIL-KEZOAJOQSA-N 2 1 397.607 3.723 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)cc2)n1 ZINC000638338475 852714457 /nfs/dbraw/zinc/71/44/57/852714457.db2.gz BMHHLEIRPGUYKX-UPVQGACJSA-N 2 1 387.531 3.784 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)cc2)n1 ZINC000638338475 852714463 /nfs/dbraw/zinc/71/44/63/852714463.db2.gz BMHHLEIRPGUYKX-UPVQGACJSA-N 2 1 387.531 3.784 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000437084970 852735803 /nfs/dbraw/zinc/73/58/03/852735803.db2.gz YLGZBYMLBVRPLW-BTHPGYMESA-N 2 1 384.486 3.970 20 0 GHADMP Cc1cc(CNC(=O)[C@H](c2cccc(Cl)c2)N(C)C)cc(N2CCCC2)[nH+]1 ZINC000518021420 852741903 /nfs/dbraw/zinc/74/19/03/852741903.db2.gz NTTWQCOJXUOTTJ-FQEVSTJZSA-N 2 1 386.927 3.563 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000604643776 862391562 /nfs/dbraw/zinc/39/15/62/862391562.db2.gz APYAXHHOTAPSMI-DYESRHJHSA-N 2 1 398.526 3.522 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc(Br)c1OC(F)F ZINC000414953771 852865358 /nfs/dbraw/zinc/86/53/58/852865358.db2.gz RXPMZFDVLZHGGD-JQWIXIFHSA-N 2 1 393.272 3.679 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000507415373 852886369 /nfs/dbraw/zinc/88/63/69/852886369.db2.gz WNOKSBRICOTGKK-WOJBJXKFSA-N 2 1 386.584 3.681 20 0 GHADMP COc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000518270208 853143155 /nfs/dbraw/zinc/14/31/55/853143155.db2.gz VYYYEBMIJGTTNG-JOCHJYFZSA-N 2 1 387.955 3.817 20 0 GHADMP COc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000518270209 853143304 /nfs/dbraw/zinc/14/33/04/853143304.db2.gz VYYYEBMIJGTTNG-QFIPXVFZSA-N 2 1 387.955 3.817 20 0 GHADMP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1OCC ZINC000550010371 853154245 /nfs/dbraw/zinc/15/42/45/853154245.db2.gz RRNXTAOHNCYEJX-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1OCC ZINC000550010371 853154251 /nfs/dbraw/zinc/15/42/51/853154251.db2.gz RRNXTAOHNCYEJX-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1OCC ZINC000550010371 853154254 /nfs/dbraw/zinc/15/42/54/853154254.db2.gz RRNXTAOHNCYEJX-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OCC ZINC000550010371 853154260 /nfs/dbraw/zinc/15/42/60/853154260.db2.gz RRNXTAOHNCYEJX-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP C[C@H](C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000437473891 853176060 /nfs/dbraw/zinc/17/60/60/853176060.db2.gz MSEMPRGEYRLJKZ-LEWJYISDSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000437473891 853176066 /nfs/dbraw/zinc/17/60/66/853176066.db2.gz MSEMPRGEYRLJKZ-LEWJYISDSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000437473891 853176069 /nfs/dbraw/zinc/17/60/69/853176069.db2.gz MSEMPRGEYRLJKZ-LEWJYISDSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000437473891 853176077 /nfs/dbraw/zinc/17/60/77/853176077.db2.gz MSEMPRGEYRLJKZ-LEWJYISDSA-N 2 1 391.559 3.556 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000516942671 853185944 /nfs/dbraw/zinc/18/59/44/853185944.db2.gz GYSAFHGBGLITMA-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000516942671 853185947 /nfs/dbraw/zinc/18/59/47/853185947.db2.gz GYSAFHGBGLITMA-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000516942671 853185956 /nfs/dbraw/zinc/18/59/56/853185956.db2.gz GYSAFHGBGLITMA-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490701213 853201549 /nfs/dbraw/zinc/20/15/49/853201549.db2.gz RSNWIDHCIYXHJH-AHRSYUTCSA-N 2 1 394.401 3.858 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490701213 853201555 /nfs/dbraw/zinc/20/15/55/853201555.db2.gz RSNWIDHCIYXHJH-AHRSYUTCSA-N 2 1 394.401 3.858 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472357 853224092 /nfs/dbraw/zinc/22/40/92/853224092.db2.gz TVTFSNSWVQOPHY-VQTJNVASSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472357 853224096 /nfs/dbraw/zinc/22/40/96/853224096.db2.gz TVTFSNSWVQOPHY-VQTJNVASSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472357 853224106 /nfs/dbraw/zinc/22/41/06/853224106.db2.gz TVTFSNSWVQOPHY-VQTJNVASSA-N 2 1 397.563 3.649 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000518362882 853248681 /nfs/dbraw/zinc/24/86/81/853248681.db2.gz UIYYSFUAJOIATN-JWQCQUIFSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2)cc1 ZINC000518362883 853249059 /nfs/dbraw/zinc/24/90/59/853249059.db2.gz UIYYSFUAJOIATN-LOSJGSFVSA-N 2 1 394.559 3.678 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000426288537 853342322 /nfs/dbraw/zinc/34/23/22/853342322.db2.gz JKJGCXQIYJCMRH-NZQKXSOJSA-N 2 1 384.495 3.651 20 0 GHADMP C[C@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490991170 853391814 /nfs/dbraw/zinc/39/18/14/853391814.db2.gz AFCUNSZEHOVDPP-REWPJTCUSA-N 2 1 387.612 3.711 20 0 GHADMP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491028329 853406755 /nfs/dbraw/zinc/40/67/55/853406755.db2.gz OOBVAODHALDHFP-OAQYLSRUSA-N 2 1 393.575 3.578 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780563 853502926 /nfs/dbraw/zinc/50/29/26/853502926.db2.gz VSFZRUAFAXSMBU-FSSWDIPSSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780563 853502936 /nfs/dbraw/zinc/50/29/36/853502936.db2.gz VSFZRUAFAXSMBU-FSSWDIPSSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000437780563 853502945 /nfs/dbraw/zinc/50/29/45/853502945.db2.gz VSFZRUAFAXSMBU-FSSWDIPSSA-N 2 1 384.568 3.528 20 0 GHADMP Cc1nc(-c2ccsc2)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000586803889 853535435 /nfs/dbraw/zinc/53/54/35/853535435.db2.gz SZWKDPJZAORDBS-UHFFFAOYSA-N 2 1 393.516 3.518 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1Cl ZINC000518630145 853589141 /nfs/dbraw/zinc/58/91/41/853589141.db2.gz IQVHYNYCNIYWGZ-YLJYHZDGSA-N 2 1 392.975 3.603 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)[NH+](C)C)cc1 ZINC000519934411 853618691 /nfs/dbraw/zinc/61/86/91/853618691.db2.gz PVOCUYJWDHRBGM-HSZRJFAPSA-N 2 1 396.579 3.803 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506152225 853623603 /nfs/dbraw/zinc/62/36/03/853623603.db2.gz GDAHOUWMBXTEMG-QHCPKHFHSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)c(F)c2)no1 ZINC001212144660 853644268 /nfs/dbraw/zinc/64/42/68/853644268.db2.gz AJFMPDXKAQTOHN-AWEZNQCLSA-N 2 1 385.281 3.806 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378524 853800592 /nfs/dbraw/zinc/80/05/92/853800592.db2.gz WJXVPFXNHQPWLN-DEOSSOPVSA-N 2 1 397.607 3.616 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000507735286 853913419 /nfs/dbraw/zinc/91/34/19/853913419.db2.gz YTPKGOCMYCLYPM-AZUAARDMSA-N 2 1 395.538 3.771 20 0 GHADMP CN(C(=O)c1cccc2cc[nH]c21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000571704352 853994125 /nfs/dbraw/zinc/99/41/25/853994125.db2.gz VNEJGKGWUCBGEU-LEWJYISDSA-N 2 1 382.552 3.577 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1(C)C ZINC000441352226 854123696 /nfs/dbraw/zinc/12/36/96/854123696.db2.gz DUUZIXWOBJZMQY-UHFFFAOYSA-N 2 1 389.490 3.873 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(N4CCCC4)cc3C)CC2)CC1 ZINC000571775105 854152241 /nfs/dbraw/zinc/15/22/41/854152241.db2.gz WRRFXTIDDISEQH-UHFFFAOYSA-N 2 1 398.595 3.730 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000571898146 854178758 /nfs/dbraw/zinc/17/87/58/854178758.db2.gz JKQFIRRBWWQZGP-BHIFYINESA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000571898146 854178760 /nfs/dbraw/zinc/17/87/60/854178760.db2.gz JKQFIRRBWWQZGP-BHIFYINESA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000571898146 854178763 /nfs/dbraw/zinc/17/87/63/854178763.db2.gz JKQFIRRBWWQZGP-BHIFYINESA-N 2 1 398.595 3.555 20 0 GHADMP O=C(NCC1CC1)[C@H]1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167994005 854409580 /nfs/dbraw/zinc/40/95/80/854409580.db2.gz WDQDFIMNYIDPLF-JYEDNEFCSA-N 2 1 399.623 3.800 20 0 GHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000123779628 854445229 /nfs/dbraw/zinc/44/52/29/854445229.db2.gz NKTJYAANEKDFFR-UHFFFAOYSA-N 2 1 379.426 3.802 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623995714 862571418 /nfs/dbraw/zinc/57/14/18/862571418.db2.gz HOWTYFBVCJLCNE-BRIRTLKKSA-N 2 1 399.560 3.763 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000073554633 854735934 /nfs/dbraw/zinc/73/59/34/854735934.db2.gz UBZZDHCMILAVGS-LJQANCHMSA-N 2 1 386.584 3.623 20 0 GHADMP CCN1CC[C@@]2(C[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C[C@@H]2C)C1=O ZINC001168047775 862612556 /nfs/dbraw/zinc/61/25/56/862612556.db2.gz SLLPQONYDAOWFH-SMOZNVCYSA-N 2 1 383.580 3.618 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1OC ZINC000520467220 855099306 /nfs/dbraw/zinc/09/93/06/855099306.db2.gz HJIOVTOLDPUDRW-YADHBBJMSA-N 2 1 380.532 3.966 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1OC ZINC000520467220 855099311 /nfs/dbraw/zinc/09/93/11/855099311.db2.gz HJIOVTOLDPUDRW-YADHBBJMSA-N 2 1 380.532 3.966 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000590670037 855540490 /nfs/dbraw/zinc/54/04/90/855540490.db2.gz PSHCAPVRVTZQHV-INIZCTEOSA-N 2 1 392.425 3.508 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000542722343 855559566 /nfs/dbraw/zinc/55/95/66/855559566.db2.gz LKYFABUXWGZXSN-HOTGVXAUSA-N 2 1 386.989 3.591 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000579473218 855573790 /nfs/dbraw/zinc/57/37/90/855573790.db2.gz LRKRJVYACBHJDX-OAHLLOKOSA-N 2 1 391.357 3.929 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000579473218 855573794 /nfs/dbraw/zinc/57/37/94/855573794.db2.gz LRKRJVYACBHJDX-OAHLLOKOSA-N 2 1 391.357 3.929 20 0 GHADMP CN(C(=O)c1ccccc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168002426 855597425 /nfs/dbraw/zinc/59/74/25/855597425.db2.gz RUKYVIDYMGZEMP-AIZNXBIQSA-N 2 1 381.564 3.628 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168003255 855659991 /nfs/dbraw/zinc/65/99/91/855659991.db2.gz LZODHDYLEUALLH-SKPIHXQZSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168003255 855659995 /nfs/dbraw/zinc/65/99/95/855659995.db2.gz LZODHDYLEUALLH-SKPIHXQZSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168003255 855660001 /nfs/dbraw/zinc/66/00/01/855660001.db2.gz LZODHDYLEUALLH-SKPIHXQZSA-N 2 1 377.573 3.627 20 0 GHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1OC(F)F ZINC000482139549 862724301 /nfs/dbraw/zinc/72/43/01/862724301.db2.gz USNRVCFTPPVCIL-HZPDHXFCSA-N 2 1 383.483 3.717 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000465790178 856042384 /nfs/dbraw/zinc/04/23/84/856042384.db2.gz SLUMZOHOWSXSHE-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905149092 856185368 /nfs/dbraw/zinc/18/53/68/856185368.db2.gz XZAWYSSYOLBVMR-SFHVURJKSA-N 2 1 375.340 3.506 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000448705884 862781329 /nfs/dbraw/zinc/78/13/29/862781329.db2.gz WCMWPHFYFJOWOF-SFHVURJKSA-N 2 1 389.503 3.572 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000448705884 862781343 /nfs/dbraw/zinc/78/13/43/862781343.db2.gz WCMWPHFYFJOWOF-SFHVURJKSA-N 2 1 389.503 3.572 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186490255 856498056 /nfs/dbraw/zinc/49/80/56/856498056.db2.gz QKORJNYZCZGLLA-PMACEKPBSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186490255 856498061 /nfs/dbraw/zinc/49/80/61/856498061.db2.gz QKORJNYZCZGLLA-PMACEKPBSA-N 2 1 389.902 3.892 20 0 GHADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000573818460 856503148 /nfs/dbraw/zinc/50/31/48/856503148.db2.gz ZMYDPKRXCCRWLN-ZEQRLZLVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000573818460 856503151 /nfs/dbraw/zinc/50/31/51/856503151.db2.gz ZMYDPKRXCCRWLN-ZEQRLZLVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000573818460 856503157 /nfs/dbraw/zinc/50/31/57/856503157.db2.gz ZMYDPKRXCCRWLN-ZEQRLZLVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3ccccn3)cc2)C1 ZINC000658138017 856782970 /nfs/dbraw/zinc/78/29/70/856782970.db2.gz LTMLJOPZDRWPRL-LADGPHEKSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3ccccn3)cc2)C1 ZINC000658138017 856782974 /nfs/dbraw/zinc/78/29/74/856782974.db2.gz LTMLJOPZDRWPRL-LADGPHEKSA-N 2 1 391.490 3.667 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)cc1 ZINC000573966945 856832270 /nfs/dbraw/zinc/83/22/70/856832270.db2.gz CZORHVMTZQNNEQ-NHCUHLMSSA-N 2 1 398.572 3.649 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)cc1 ZINC000573966945 856832277 /nfs/dbraw/zinc/83/22/77/856832277.db2.gz CZORHVMTZQNNEQ-NHCUHLMSSA-N 2 1 398.572 3.649 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063112496 856890769 /nfs/dbraw/zinc/89/07/69/856890769.db2.gz YUNDEBSYGSAEPA-DEOSSOPVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508076009 856894668 /nfs/dbraw/zinc/89/46/68/856894668.db2.gz NTTQHGMFQAUXQA-HXUWFJFHSA-N 2 1 393.522 3.526 20 0 GHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256078 857088361 /nfs/dbraw/zinc/08/83/61/857088361.db2.gz NUMGQPVQJXDDOD-KSEOMHKRSA-N 2 1 398.547 3.769 20 0 GHADMP Fc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Br ZINC000173959198 857187282 /nfs/dbraw/zinc/18/72/82/857187282.db2.gz JOEMRUBWBRONEK-UHFFFAOYSA-N 2 1 385.321 3.665 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465947687 857190590 /nfs/dbraw/zinc/19/05/90/857190590.db2.gz ICTXLMRKJMRLPU-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465947687 857190592 /nfs/dbraw/zinc/19/05/92/857190592.db2.gz ICTXLMRKJMRLPU-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465947687 857190596 /nfs/dbraw/zinc/19/05/96/857190596.db2.gz ICTXLMRKJMRLPU-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000465959544 857244699 /nfs/dbraw/zinc/24/46/99/857244699.db2.gz UWMRXTHRTFZWOD-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000465959544 857244709 /nfs/dbraw/zinc/24/47/09/857244709.db2.gz UWMRXTHRTFZWOD-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000465959544 857244719 /nfs/dbraw/zinc/24/47/19/857244719.db2.gz UWMRXTHRTFZWOD-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cnc21 ZINC000174399572 857288519 /nfs/dbraw/zinc/28/85/19/857288519.db2.gz IMXAGUSQHPKHRE-HXUWFJFHSA-N 2 1 377.536 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cnc21 ZINC000174399572 857288552 /nfs/dbraw/zinc/28/85/52/857288552.db2.gz IMXAGUSQHPKHRE-HXUWFJFHSA-N 2 1 377.536 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cnc21 ZINC000174399572 857288585 /nfs/dbraw/zinc/28/85/85/857288585.db2.gz IMXAGUSQHPKHRE-HXUWFJFHSA-N 2 1 377.536 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cnc21 ZINC000174399572 857288598 /nfs/dbraw/zinc/28/85/98/857288598.db2.gz IMXAGUSQHPKHRE-HXUWFJFHSA-N 2 1 377.536 3.966 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccc(C)cc4C)C3)CC2)CC1 ZINC000574169311 857310302 /nfs/dbraw/zinc/31/03/02/857310302.db2.gz CHRRZNIFRKMCSC-JOCHJYFZSA-N 2 1 397.607 3.816 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000486099744 857428045 /nfs/dbraw/zinc/42/80/45/857428045.db2.gz KRXJRNOYPMXYDB-OFNKIYASSA-N 2 1 393.575 3.754 20 0 GHADMP C[N@@H+](CCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000061522235 857527069 /nfs/dbraw/zinc/52/70/69/857527069.db2.gz SALHONFNGOOINY-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000486233001 857574780 /nfs/dbraw/zinc/57/47/80/857574780.db2.gz UWJLKMFAUYIVHN-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCO2)cc1 ZINC001168586683 857577101 /nfs/dbraw/zinc/57/71/01/857577101.db2.gz JXNLFUPIQXCQTO-UPVQGACJSA-N 2 1 396.531 3.537 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000675750495 857586707 /nfs/dbraw/zinc/58/67/07/857586707.db2.gz BJZKNXMFOJNNGT-CVDCTZTESA-N 2 1 379.548 3.969 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000675750495 857586713 /nfs/dbraw/zinc/58/67/13/857586713.db2.gz BJZKNXMFOJNNGT-CVDCTZTESA-N 2 1 379.548 3.969 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000675750048 857586877 /nfs/dbraw/zinc/58/68/77/857586877.db2.gz KYRUKRYULUAZNT-RTBURBONSA-N 2 1 390.535 3.888 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665276976 857631910 /nfs/dbraw/zinc/63/19/10/857631910.db2.gz QLOHCXJZWMCJDK-ZTCOLXNVSA-N 2 1 377.576 3.837 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)c1 ZINC000064226967 857685879 /nfs/dbraw/zinc/68/58/79/857685879.db2.gz GKBRUMWULCAFMS-CVDCTZTESA-N 2 1 394.563 3.773 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000064226967 857685885 /nfs/dbraw/zinc/68/58/85/857685885.db2.gz GKBRUMWULCAFMS-CVDCTZTESA-N 2 1 394.563 3.773 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000064226967 857685888 /nfs/dbraw/zinc/68/58/88/857685888.db2.gz GKBRUMWULCAFMS-CVDCTZTESA-N 2 1 394.563 3.773 20 0 GHADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568328 857871147 /nfs/dbraw/zinc/87/11/47/857871147.db2.gz SLFJGAXURMTENX-DENIHFKCSA-N 2 1 375.520 3.576 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466028863 857902113 /nfs/dbraw/zinc/90/21/13/857902113.db2.gz YQLPFWOYGUOHDQ-XXBNENTESA-N 2 1 398.595 3.776 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000594095268 857933080 /nfs/dbraw/zinc/93/30/80/857933080.db2.gz SYJPZBRGKGPAHT-NFBKMPQASA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594095294 857933339 /nfs/dbraw/zinc/93/33/39/857933339.db2.gz UACJQZPUWCZTDE-OFNKIYASSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@H](C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000066853764 857976950 /nfs/dbraw/zinc/97/69/50/857976950.db2.gz HHLDUCZRTATACL-RTWAWAEBSA-N 2 1 393.575 3.891 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OCC)CC1 ZINC000066960800 857984520 /nfs/dbraw/zinc/98/45/20/857984520.db2.gz BYALNUWZGOIQNU-GOSISDBHSA-N 2 1 375.557 3.856 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OCC)CC1 ZINC000066960800 857984524 /nfs/dbraw/zinc/98/45/24/857984524.db2.gz BYALNUWZGOIQNU-GOSISDBHSA-N 2 1 375.557 3.856 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc3ccccc3n2C)cc1OC ZINC000066973588 857985471 /nfs/dbraw/zinc/98/54/71/857985471.db2.gz HZHRTBKLAASOEJ-UHFFFAOYSA-N 2 1 396.535 3.592 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442712614 858068219 /nfs/dbraw/zinc/06/82/19/858068219.db2.gz VBVDVHFNNVJPLD-OAQYLSRUSA-N 2 1 388.559 3.562 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000574750236 858157405 /nfs/dbraw/zinc/15/74/05/858157405.db2.gz LJCFIOJONDILOE-NZQKXSOJSA-N 2 1 382.548 3.858 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1(C)C ZINC000442876154 858191445 /nfs/dbraw/zinc/19/14/45/858191445.db2.gz PIKQUHVNUPHMPV-PKOBYXMFSA-N 2 1 383.502 3.957 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000442856191 858194417 /nfs/dbraw/zinc/19/44/17/858194417.db2.gz YFOJJJDRTCYRQE-ZJSXRUAMSA-N 2 1 377.532 3.989 20 0 GHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000521791669 858328424 /nfs/dbraw/zinc/32/84/24/858328424.db2.gz XRWJKFFSNHORNV-PMACEKPBSA-N 2 1 395.547 3.504 20 0 GHADMP COc1ccc(OCc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000574989609 858485103 /nfs/dbraw/zinc/48/51/03/858485103.db2.gz ZHKCZEUJDKORGG-IRXDYDNUSA-N 2 1 387.549 3.552 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000575046356 858502634 /nfs/dbraw/zinc/50/26/34/858502634.db2.gz MHJRQTKHIPMRJU-GCJKJVERSA-N 2 1 381.520 3.744 20 0 GHADMP Cc1cc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000521975401 858503968 /nfs/dbraw/zinc/50/39/68/858503968.db2.gz OOYHYOCSPOLIAS-LJQANCHMSA-N 2 1 377.492 3.629 20 0 GHADMP Cc1cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000521975401 858503975 /nfs/dbraw/zinc/50/39/75/858503975.db2.gz OOYHYOCSPOLIAS-LJQANCHMSA-N 2 1 377.492 3.629 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000079554701 858571396 /nfs/dbraw/zinc/57/13/96/858571396.db2.gz RXWKYMPAAIZNHI-QFIPXVFZSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000079613382 858593529 /nfs/dbraw/zinc/59/35/29/858593529.db2.gz BMFULCJFJDSDTO-PMACEKPBSA-N 2 1 380.621 3.506 20 0 GHADMP COC1CC[NH+](C2(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CCCC2)CC1 ZINC000482636019 858724811 /nfs/dbraw/zinc/72/48/11/858724811.db2.gz LCKLJDDRSMTCKL-XUZZJYLKSA-N 2 1 399.623 3.910 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000474075732 858791612 /nfs/dbraw/zinc/79/16/12/858791612.db2.gz WGXJCXXSOAGLCW-IGKWTDBASA-N 2 1 394.559 3.890 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000474075732 858791620 /nfs/dbraw/zinc/79/16/20/858791620.db2.gz WGXJCXXSOAGLCW-IGKWTDBASA-N 2 1 394.559 3.890 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522223410 858845988 /nfs/dbraw/zinc/84/59/88/858845988.db2.gz VTKASPXYSGCESF-NRFANRHFSA-N 2 1 378.520 3.528 20 0 GHADMP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482816652 858888534 /nfs/dbraw/zinc/88/85/34/858888534.db2.gz QWVTXSVDDPDGNA-WIYYLYMNSA-N 2 1 395.547 3.633 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C)c1F ZINC000482817757 858888820 /nfs/dbraw/zinc/88/88/20/858888820.db2.gz GULJRDAIORZCSU-WIYYLYMNSA-N 2 1 397.538 3.991 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000532186846 881359629 /nfs/dbraw/zinc/35/96/29/881359629.db2.gz SSYYYKSCHXORQS-NTKDMRAZSA-N 2 1 390.531 3.732 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c2cccc(Br)c21 ZINC000482871829 858930720 /nfs/dbraw/zinc/93/07/20/858930720.db2.gz BEKNNMRPHITLFB-DAYGRLMNSA-N 2 1 381.358 3.680 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000482894345 858956593 /nfs/dbraw/zinc/95/65/93/858956593.db2.gz RBYWVCCQSPXZMP-IRFCIJBXSA-N 2 1 378.532 3.687 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)c1 ZINC000466284217 858980489 /nfs/dbraw/zinc/98/04/89/858980489.db2.gz ZHUBCNCGBDIDJS-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466284217 858980493 /nfs/dbraw/zinc/98/04/93/858980493.db2.gz ZHUBCNCGBDIDJS-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466284217 858980501 /nfs/dbraw/zinc/98/05/01/858980501.db2.gz ZHUBCNCGBDIDJS-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765976301 858983175 /nfs/dbraw/zinc/98/31/75/858983175.db2.gz MQMLLPKWFYDUBP-HNAYVOBHSA-N 2 1 386.565 3.808 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cccc(N4CC[NH2+]CC4)c2)C3)cc1 ZINC001170332332 881373896 /nfs/dbraw/zinc/37/38/96/881373896.db2.gz CZOZCXTZNHGOHJ-ULPXVVAUSA-N 2 1 376.548 3.704 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C[C@@H](C)O1 ZINC000116693389 859105462 /nfs/dbraw/zinc/10/54/62/859105462.db2.gz BXROHJRLUFUZLO-IAGOWNOFSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711144 859118499 /nfs/dbraw/zinc/11/84/99/859118499.db2.gz HUKDCWWDOWNRNU-RZQQEMMASA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711144 859118506 /nfs/dbraw/zinc/11/85/06/859118506.db2.gz HUKDCWWDOWNRNU-RZQQEMMASA-N 2 1 375.944 3.688 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nnn1-c1ccc(C)cc1 ZINC000483165063 859199141 /nfs/dbraw/zinc/19/91/41/859199141.db2.gz BDSQDIODPALIGP-GOSISDBHSA-N 2 1 390.535 3.907 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1OC ZINC000856554729 881395244 /nfs/dbraw/zinc/39/52/44/881395244.db2.gz MVYLTENHXSKYSZ-OAQYLSRUSA-N 2 1 399.535 3.594 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1OC ZINC000856554729 881395279 /nfs/dbraw/zinc/39/52/79/881395279.db2.gz MVYLTENHXSKYSZ-OAQYLSRUSA-N 2 1 399.535 3.594 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1OC ZINC000856554729 881395325 /nfs/dbraw/zinc/39/53/25/881395325.db2.gz MVYLTENHXSKYSZ-OAQYLSRUSA-N 2 1 399.535 3.594 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000543312596 859232287 /nfs/dbraw/zinc/23/22/87/859232287.db2.gz JGDAATRFGFHHOH-FQEVSTJZSA-N 2 1 383.540 3.562 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558240 881423342 /nfs/dbraw/zinc/42/33/42/881423342.db2.gz DISIDBMOQVLSCA-XMMPIXPASA-N 2 1 379.548 3.790 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558240 881423358 /nfs/dbraw/zinc/42/33/58/881423358.db2.gz DISIDBMOQVLSCA-XMMPIXPASA-N 2 1 379.548 3.790 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558240 881423397 /nfs/dbraw/zinc/42/33/97/881423397.db2.gz DISIDBMOQVLSCA-XMMPIXPASA-N 2 1 379.548 3.790 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558550 881424280 /nfs/dbraw/zinc/42/42/80/881424280.db2.gz JMKLUAQQSKAQRO-KNQAVFIVSA-N 2 1 395.547 3.941 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558550 881424285 /nfs/dbraw/zinc/42/42/85/881424285.db2.gz JMKLUAQQSKAQRO-KNQAVFIVSA-N 2 1 395.547 3.941 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558550 881424296 /nfs/dbraw/zinc/42/42/96/881424296.db2.gz JMKLUAQQSKAQRO-KNQAVFIVSA-N 2 1 395.547 3.941 20 0 GHADMP C[C@H](CC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)[N@@H+](C)Cc1ccccc1 ZINC000483687505 859542414 /nfs/dbraw/zinc/54/24/14/859542414.db2.gz WCUUAQMRELCTDO-MSOLQXFVSA-N 2 1 389.565 3.619 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C)nn(C(C)C)c3C)C2)ccn1 ZINC000895501026 859600871 /nfs/dbraw/zinc/60/08/71/859600871.db2.gz RQEAGBAIQYDRBB-OAQYLSRUSA-N 2 1 385.556 3.581 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(C)nn(C(C)C)c3C)C2)ccn1 ZINC000895501026 859600878 /nfs/dbraw/zinc/60/08/78/859600878.db2.gz RQEAGBAIQYDRBB-OAQYLSRUSA-N 2 1 385.556 3.581 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(C)nn(C(C)C)c3C)C2)ccn1 ZINC000895501026 859600889 /nfs/dbraw/zinc/60/08/89/859600889.db2.gz RQEAGBAIQYDRBB-OAQYLSRUSA-N 2 1 385.556 3.581 20 0 GHADMP CCC[N@H+](CC(=O)Nc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477128 859626425 /nfs/dbraw/zinc/62/64/25/859626425.db2.gz YSLGHEICRFXKTK-UHFFFAOYSA-N 2 1 395.551 3.721 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1ccccc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477128 859626428 /nfs/dbraw/zinc/62/64/28/859626428.db2.gz YSLGHEICRFXKTK-UHFFFAOYSA-N 2 1 395.551 3.721 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000484143871 859830652 /nfs/dbraw/zinc/83/06/52/859830652.db2.gz NFSBWVWHKBORSX-XXBNENTESA-N 2 1 397.538 3.663 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000484143871 859830657 /nfs/dbraw/zinc/83/06/57/859830657.db2.gz NFSBWVWHKBORSX-XXBNENTESA-N 2 1 397.538 3.663 20 0 GHADMP CCO/C=C/[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000895719948 859869508 /nfs/dbraw/zinc/86/95/08/859869508.db2.gz ZAPUXYCPYNWSKS-FLMNEEFCSA-N 2 1 398.469 3.617 20 0 GHADMP CCO/C=C/[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000895719948 859869516 /nfs/dbraw/zinc/86/95/16/859869516.db2.gz ZAPUXYCPYNWSKS-FLMNEEFCSA-N 2 1 398.469 3.617 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(-c3ccccc3F)s1)C2 ZINC000922391431 859889675 /nfs/dbraw/zinc/88/96/75/859889675.db2.gz WHYAVQXYYWHMHH-ANTGDGSKSA-N 2 1 389.540 3.519 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)C[N@H+](C)[C@H]1CCSC1)C1CCCCC1 ZINC000484386829 859983475 /nfs/dbraw/zinc/98/34/75/859983475.db2.gz PONUVFAMYJPLAW-NRFANRHFSA-N 2 1 389.609 3.505 20 0 GHADMP C[NH+](CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCSC1 ZINC000484386829 859983481 /nfs/dbraw/zinc/98/34/81/859983481.db2.gz PONUVFAMYJPLAW-NRFANRHFSA-N 2 1 389.609 3.505 20 0 GHADMP C[NH+](CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCSC1 ZINC000484386829 859983486 /nfs/dbraw/zinc/98/34/86/859983486.db2.gz PONUVFAMYJPLAW-NRFANRHFSA-N 2 1 389.609 3.505 20 0 GHADMP CC(C)C[N@H+](Cc1c(NC(=O)OC(C)(C)C)cnn1C)CC1CC[NH+](C)CC1 ZINC000895860727 859999983 /nfs/dbraw/zinc/99/99/83/859999983.db2.gz FIPWZFNNBXALPS-UHFFFAOYSA-N 2 1 393.576 3.567 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034919 860089418 /nfs/dbraw/zinc/08/94/18/860089418.db2.gz RNXMWJIABSDENF-RMFSNUHRSA-N 2 1 393.531 3.573 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)N(C)C(=O)CO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034919 860089431 /nfs/dbraw/zinc/08/94/31/860089431.db2.gz RNXMWJIABSDENF-RMFSNUHRSA-N 2 1 393.531 3.573 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000474478692 860186890 /nfs/dbraw/zinc/18/68/90/860186890.db2.gz AWGCNASATDMXHV-CQSZACIVSA-N 2 1 398.332 3.829 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(I)cc2)C1 ZINC000474485452 860202906 /nfs/dbraw/zinc/20/29/06/860202906.db2.gz DVIURQSCNZXYBK-GDBMZVCRSA-N 2 1 386.321 3.544 20 0 GHADMP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCSc3c(F)cccc32)c2ccccc2)CC1 ZINC000532214056 860232958 /nfs/dbraw/zinc/23/29/58/860232958.db2.gz QPYPLPJCTAFQPO-SFTDATJTSA-N 2 1 385.552 3.941 20 0 GHADMP FC(F)(F)Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000536709084 860272536 /nfs/dbraw/zinc/27/25/36/860272536.db2.gz GHVNHLUICHTOPL-UHFFFAOYSA-N 2 1 392.469 3.934 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000904296689 860317337 /nfs/dbraw/zinc/31/73/37/860317337.db2.gz ZBGVQLLCGYJVQB-XMSQKQJNSA-N 2 1 381.524 3.790 20 0 GHADMP COC(=O)c1coc([C@@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000602866000 860339985 /nfs/dbraw/zinc/33/99/85/860339985.db2.gz XZVOULAAJRCIAE-GOSISDBHSA-N 2 1 397.519 3.900 20 0 GHADMP CCCCn1nc(C)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1Cl ZINC000904472921 860465845 /nfs/dbraw/zinc/46/58/45/860465845.db2.gz GQOOKIWKZRUFCQ-RXVVDRJESA-N 2 1 388.943 3.991 20 0 GHADMP Cc1ccccc1-n1nccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000474617202 860512805 /nfs/dbraw/zinc/51/28/05/860512805.db2.gz PCSKGJYLDGDXBG-FQEVSTJZSA-N 2 1 390.531 3.691 20 0 GHADMP Cc1ccccc1-n1nccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000474617202 860512811 /nfs/dbraw/zinc/51/28/11/860512811.db2.gz PCSKGJYLDGDXBG-FQEVSTJZSA-N 2 1 390.531 3.691 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904576532 860520962 /nfs/dbraw/zinc/52/09/62/860520962.db2.gz KVMGOMYTQQTCRB-OAQYLSRUSA-N 2 1 395.551 3.794 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000904657785 860535695 /nfs/dbraw/zinc/53/56/95/860535695.db2.gz BHGCTMSXVZUOJB-QGZVFWFLSA-N 2 1 392.425 3.560 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000599306070 861026034 /nfs/dbraw/zinc/02/60/34/861026034.db2.gz OXEUJYBIFAFGJD-OAQYLSRUSA-N 2 1 385.939 3.507 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000599306070 861026048 /nfs/dbraw/zinc/02/60/48/861026048.db2.gz OXEUJYBIFAFGJD-OAQYLSRUSA-N 2 1 385.939 3.507 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1OC1CC1 ZINC000623507711 861125300 /nfs/dbraw/zinc/12/53/00/861125300.db2.gz WZAFJHWBDZEENR-JOCHJYFZSA-N 2 1 396.531 3.617 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182226279 863156432 /nfs/dbraw/zinc/15/64/32/863156432.db2.gz YMBPVGNTGDTJPY-YADHBBJMSA-N 2 1 396.531 3.655 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(F)c(F)c(F)c1 ZINC000182234565 863158920 /nfs/dbraw/zinc/15/89/20/863158920.db2.gz BPWIZRINPPGOKQ-RDTXWAMCSA-N 2 1 378.438 3.911 20 0 GHADMP CCOc1cc(C[NH+]2CCC(CC[NH2+]C)CC2)cc(Br)c1OC ZINC000469853381 863182530 /nfs/dbraw/zinc/18/25/30/863182530.db2.gz SMJHWOLQUYLNML-UHFFFAOYSA-N 2 1 385.346 3.678 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499233309 881639465 /nfs/dbraw/zinc/63/94/65/881639465.db2.gz JRQMXXDGWIGOHG-ISBRNDMJSA-N 2 1 383.580 3.855 20 0 GHADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000282595684 863251898 /nfs/dbraw/zinc/25/18/98/863251898.db2.gz HHSMDCFATWDJCT-UHFFFAOYSA-N 2 1 384.568 3.974 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000482523670 863264298 /nfs/dbraw/zinc/26/42/98/863264298.db2.gz NTSDVVADMHTXBP-SFHVURJKSA-N 2 1 385.508 3.560 20 0 GHADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482550243 863295275 /nfs/dbraw/zinc/29/52/75/863295275.db2.gz FAYFEJXAZXTYGC-WOJBJXKFSA-N 2 1 385.577 3.517 20 0 GHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255938 863326488 /nfs/dbraw/zinc/32/64/88/863326488.db2.gz XTHMZCDYGJRFBF-NAVOZUGXSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255938 863326501 /nfs/dbraw/zinc/32/65/01/863326501.db2.gz XTHMZCDYGJRFBF-NAVOZUGXSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255938 863326514 /nfs/dbraw/zinc/32/65/14/863326514.db2.gz XTHMZCDYGJRFBF-NAVOZUGXSA-N 2 1 395.591 3.668 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000332978610 863354640 /nfs/dbraw/zinc/35/46/40/863354640.db2.gz OJDTUUZCFLEUMK-PXNSSMCTSA-N 2 1 386.584 3.505 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482592842 863357022 /nfs/dbraw/zinc/35/70/22/863357022.db2.gz SLRYXIGYXHUHJJ-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000062528406 863536973 /nfs/dbraw/zinc/53/69/73/863536973.db2.gz PVGZVMMLEIXDJK-HXUWFJFHSA-N 2 1 392.632 3.842 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000175114995 863595727 /nfs/dbraw/zinc/59/57/27/863595727.db2.gz CQDFPJZJVICHKJ-NOTZXAQLSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000120587282 881678972 /nfs/dbraw/zinc/67/89/72/881678972.db2.gz WNCHFRUITDJLEP-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)c2)C1 ZINC000856721483 881686442 /nfs/dbraw/zinc/68/64/42/881686442.db2.gz LBFOTBMOZHCTQX-RTWAWAEBSA-N 2 1 381.520 3.656 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000606686111 863778530 /nfs/dbraw/zinc/77/85/30/863778530.db2.gz SOSNBCVBCCTBEZ-KSEOMHKRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000606686111 863778534 /nfs/dbraw/zinc/77/85/34/863778534.db2.gz SOSNBCVBCCTBEZ-KSEOMHKRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000606686111 863778536 /nfs/dbraw/zinc/77/85/36/863778536.db2.gz SOSNBCVBCCTBEZ-KSEOMHKRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cc(C)n(-c3nccs3)c2C)CC1 ZINC000444290914 863813576 /nfs/dbraw/zinc/81/35/76/863813576.db2.gz SFUMAVUFIJLBPV-UHFFFAOYSA-N 2 1 388.581 3.787 20 0 GHADMP C[C@@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000378899497 863851513 /nfs/dbraw/zinc/85/15/13/863851513.db2.gz WCEXJRVCNUXNSV-SFHVURJKSA-N 2 1 375.557 3.586 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000158708805 863924340 /nfs/dbraw/zinc/92/43/40/863924340.db2.gz WTTIHJHVHRSXBA-YCRNBWNJSA-N 2 1 379.548 3.743 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000158708805 863924347 /nfs/dbraw/zinc/92/43/47/863924347.db2.gz WTTIHJHVHRSXBA-YCRNBWNJSA-N 2 1 379.548 3.743 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000544575771 881712934 /nfs/dbraw/zinc/71/29/34/881712934.db2.gz REHFCGXKHQOTIC-CBGDNZLLSA-N 2 1 390.959 3.642 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)sc2c1)C1CC1 ZINC000667611495 863960269 /nfs/dbraw/zinc/96/02/69/863960269.db2.gz QGSWCBORFXWMKV-FUHWJXTLSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)sc2c1)C1CC1 ZINC000667611495 863960284 /nfs/dbraw/zinc/96/02/84/863960284.db2.gz QGSWCBORFXWMKV-FUHWJXTLSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)sc2c1)C1CC1 ZINC000667611495 863960302 /nfs/dbraw/zinc/96/03/02/863960302.db2.gz QGSWCBORFXWMKV-FUHWJXTLSA-N 2 1 399.564 3.639 20 0 GHADMP Cc1cc(N2CCN(C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC001168054687 863980479 /nfs/dbraw/zinc/98/04/79/863980479.db2.gz STJDRZYRYJUNKV-WOJBJXKFSA-N 2 1 393.579 3.657 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480082636 864030916 /nfs/dbraw/zinc/03/09/16/864030916.db2.gz OKEQFUQJPNBUKU-FPOVZHCZSA-N 2 1 379.504 3.749 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480082636 864030933 /nfs/dbraw/zinc/03/09/33/864030933.db2.gz OKEQFUQJPNBUKU-FPOVZHCZSA-N 2 1 379.504 3.749 20 0 GHADMP C[NH2+]C1(CNc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CCC1 ZINC000621324470 864082319 /nfs/dbraw/zinc/08/23/19/864082319.db2.gz MDPYGNJSWJMPNR-UHFFFAOYSA-N 2 1 381.549 3.974 20 0 GHADMP Cc1cccc(N2CCC(NC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)[nH+]1 ZINC000455939857 864083816 /nfs/dbraw/zinc/08/38/16/864083816.db2.gz TWSBKFFHVOXURI-NRFANRHFSA-N 2 1 393.535 3.729 20 0 GHADMP CN(C(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475135595 864272985 /nfs/dbraw/zinc/27/29/85/864272985.db2.gz GFPJPYLHQMXXQJ-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475135595 864273003 /nfs/dbraw/zinc/27/30/03/864273003.db2.gz GFPJPYLHQMXXQJ-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475135595 864273018 /nfs/dbraw/zinc/27/30/18/864273018.db2.gz GFPJPYLHQMXXQJ-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000621642442 864347372 /nfs/dbraw/zinc/34/73/72/864347372.db2.gz NEBGOKVFHSRFOH-INIZCTEOSA-N 2 1 397.485 3.566 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000607366287 864348778 /nfs/dbraw/zinc/34/87/78/864348778.db2.gz GLOBHZUTRHVJOC-YADARESESA-N 2 1 398.547 3.599 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000607366287 864348789 /nfs/dbraw/zinc/34/87/89/864348789.db2.gz GLOBHZUTRHVJOC-YADARESESA-N 2 1 398.547 3.599 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480393496 864586778 /nfs/dbraw/zinc/58/67/78/864586778.db2.gz MZJCPAZNVXIYOZ-UHFFFAOYSA-N 2 1 377.479 3.588 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC[N@H+]1C ZINC000165460836 864674151 /nfs/dbraw/zinc/67/41/51/864674151.db2.gz MKXDXKJCBIWNSY-AHRSYUTCSA-N 2 1 379.976 3.564 20 0 GHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000667683143 864771574 /nfs/dbraw/zinc/77/15/74/864771574.db2.gz GLRMYDVCZRZXJP-DYESRHJHSA-N 2 1 384.593 3.576 20 0 GHADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1c(F)cccc1Cl ZINC000608068105 864959497 /nfs/dbraw/zinc/95/94/97/864959497.db2.gz FBCICVHGSBSXCN-GOSISDBHSA-N 2 1 390.930 3.884 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480620385 864983328 /nfs/dbraw/zinc/98/33/28/864983328.db2.gz ZMIJLXMVBWALAU-URXFXBBRSA-N 2 1 381.564 3.560 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cscc3Br)CC2)C[C@H](C)O1 ZINC000554855050 865049743 /nfs/dbraw/zinc/04/97/43/865049743.db2.gz IFOLRIUZRBMYDJ-OKILXGFUSA-N 2 1 387.387 3.832 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cscc3Br)CC2)C[C@H](C)O1 ZINC000554855050 865049750 /nfs/dbraw/zinc/04/97/50/865049750.db2.gz IFOLRIUZRBMYDJ-OKILXGFUSA-N 2 1 387.387 3.832 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000532361049 881840272 /nfs/dbraw/zinc/84/02/72/881840272.db2.gz WVWLQJUFFPDDIY-OYRHEFFESA-N 2 1 386.628 3.675 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000532361049 881840415 /nfs/dbraw/zinc/84/04/15/881840415.db2.gz WVWLQJUFFPDDIY-OYRHEFFESA-N 3 1 386.628 3.675 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000532361049 881840463 /nfs/dbraw/zinc/84/04/63/881840463.db2.gz WVWLQJUFFPDDIY-OYRHEFFESA-N 3 1 386.628 3.675 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000608428971 865327071 /nfs/dbraw/zinc/32/70/71/865327071.db2.gz GQRKYABLUBSKCJ-NHCUHLMSSA-N 2 1 397.567 3.658 20 0 GHADMP COc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)cc1 ZINC000480824670 865358024 /nfs/dbraw/zinc/35/80/24/865358024.db2.gz PRPPHCUBGWDMEX-NFBKMPQASA-N 2 1 399.579 3.603 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000608656190 865561891 /nfs/dbraw/zinc/56/18/91/865561891.db2.gz PQUFNFGUNUOPNI-PKTZIBPZSA-N 2 1 394.563 3.514 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000608656191 865562079 /nfs/dbraw/zinc/56/20/79/865562079.db2.gz PQUFNFGUNUOPNI-XZOQPEGZSA-N 2 1 394.563 3.514 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000173181419 865771701 /nfs/dbraw/zinc/77/17/01/865771701.db2.gz JZYWVMHERIZUNG-NZQKXSOJSA-N 2 1 379.548 3.630 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000173181419 865771710 /nfs/dbraw/zinc/77/17/10/865771710.db2.gz JZYWVMHERIZUNG-NZQKXSOJSA-N 2 1 379.548 3.630 20 0 GHADMP C[C@@H]1CN(Cc2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)C[C@H](C)O1 ZINC000555295642 865863691 /nfs/dbraw/zinc/86/36/91/865863691.db2.gz RKQGPNLJPIKIEL-KDURUIRLSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CC[NH+](C)C3CCCCC3)c2)C[C@H](C)O1 ZINC000555295642 865863712 /nfs/dbraw/zinc/86/37/12/865863712.db2.gz RKQGPNLJPIKIEL-KDURUIRLSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CC[NH+](C)C3CCCCC3)c2)C[C@H](C)O1 ZINC000555295642 865863720 /nfs/dbraw/zinc/86/37/20/865863720.db2.gz RKQGPNLJPIKIEL-KDURUIRLSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[N@H+](C)C3CCCCC3)c2)C[C@H](C)O1 ZINC000555295642 865863738 /nfs/dbraw/zinc/86/37/38/865863738.db2.gz RKQGPNLJPIKIEL-KDURUIRLSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)C[C@H](C)O1 ZINC000555295642 865863757 /nfs/dbraw/zinc/86/37/57/865863757.db2.gz RKQGPNLJPIKIEL-KDURUIRLSA-N 2 1 387.568 3.889 20 0 GHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000011080481 866304570 /nfs/dbraw/zinc/30/45/70/866304570.db2.gz AUFGFDKVHIJWPX-QFIPXVFZSA-N 2 1 383.511 3.777 20 0 GHADMP C[N@H+](CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)C1CCCCC1 ZINC000552872230 866362876 /nfs/dbraw/zinc/36/28/76/866362876.db2.gz YBCCUYXZGPRLFA-NRFANRHFSA-N 2 1 383.536 3.881 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)C1CCCCC1 ZINC000552872230 866362885 /nfs/dbraw/zinc/36/28/85/866362885.db2.gz YBCCUYXZGPRLFA-NRFANRHFSA-N 2 1 383.536 3.881 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000456325082 866440734 /nfs/dbraw/zinc/44/07/34/866440734.db2.gz ZPCUSPRRJHLWDX-XVLXNVKGSA-N 2 1 397.485 3.830 20 0 GHADMP C[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CCCC1 ZINC000494583006 881986107 /nfs/dbraw/zinc/98/61/07/881986107.db2.gz CPBUBYWPDPSLRJ-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000620310695 866652648 /nfs/dbraw/zinc/65/26/48/866652648.db2.gz PZVSFMBSBOZMLA-IRMYBRCSSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000620310695 866652655 /nfs/dbraw/zinc/65/26/55/866652655.db2.gz PZVSFMBSBOZMLA-IRMYBRCSSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000620310695 866652658 /nfs/dbraw/zinc/65/26/58/866652658.db2.gz PZVSFMBSBOZMLA-IRMYBRCSSA-N 2 1 383.580 3.762 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000478837916 866735529 /nfs/dbraw/zinc/73/55/29/866735529.db2.gz MXJPGAUITOJUJW-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)c3ccccc3C)CC2)CC1 ZINC000553084363 866749468 /nfs/dbraw/zinc/74/94/68/866749468.db2.gz HMUGAZZLCZPKGQ-UHFFFAOYSA-N 2 1 385.596 3.585 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000553167250 866894470 /nfs/dbraw/zinc/89/44/70/866894470.db2.gz AHJJXWQGRLJRKM-RXVVDRJESA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000553167250 866894488 /nfs/dbraw/zinc/89/44/88/866894488.db2.gz AHJJXWQGRLJRKM-RXVVDRJESA-N 2 1 385.939 3.581 20 0 GHADMP O=C1Nc2cc(Cl)ccc2[C@H]1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444595901 866919268 /nfs/dbraw/zinc/91/92/68/866919268.db2.gz XMJPMEHQTFBKGX-HXUWFJFHSA-N 2 1 375.944 3.964 20 0 GHADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000553333460 867199452 /nfs/dbraw/zinc/19/94/52/867199452.db2.gz WUNYILNOYFXIAP-CEXWTWQISA-N 2 1 384.568 3.588 20 0 GHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)o1 ZINC000857150572 882058169 /nfs/dbraw/zinc/05/81/69/882058169.db2.gz BRIOGKOKUQOTEQ-NRFANRHFSA-N 2 1 383.536 3.601 20 0 GHADMP CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455925348 867294964 /nfs/dbraw/zinc/29/49/64/867294964.db2.gz NAWLQALTMUSDJC-FYYLOGMGSA-N 2 1 392.547 3.974 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154459617 867414047 /nfs/dbraw/zinc/41/40/47/867414047.db2.gz QCKQWVCBQBGDGV-WIYYLYMNSA-N 2 1 384.568 3.527 20 0 GHADMP Cc1ccc(SCC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1C ZINC000154534949 867451900 /nfs/dbraw/zinc/45/19/00/867451900.db2.gz VTUWPQCMDPNQBU-SFTDATJTSA-N 2 1 375.626 3.886 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)Cc2ccco2)C1 ZINC000553479561 867487870 /nfs/dbraw/zinc/48/78/70/867487870.db2.gz XKCJDLGSSXHAKG-PZJWPPBQSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000553479561 867487879 /nfs/dbraw/zinc/48/78/79/867487879.db2.gz XKCJDLGSSXHAKG-PZJWPPBQSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000553479561 867487889 /nfs/dbraw/zinc/48/78/89/867487889.db2.gz XKCJDLGSSXHAKG-PZJWPPBQSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000857182793 882095217 /nfs/dbraw/zinc/09/52/17/882095217.db2.gz OWDAXMHAKCNUEG-TZYHBYERSA-N 2 1 379.548 3.917 20 0 GHADMP CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457087574 867640071 /nfs/dbraw/zinc/64/00/71/867640071.db2.gz QDNIIOXVYOJDCX-INIZCTEOSA-N 2 1 389.506 3.516 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000479411822 867734041 /nfs/dbraw/zinc/73/40/41/867734041.db2.gz RABUFPOUBNZYRY-KAGYGMCKSA-N 2 1 375.520 3.784 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000479411822 867734050 /nfs/dbraw/zinc/73/40/50/867734050.db2.gz RABUFPOUBNZYRY-KAGYGMCKSA-N 2 1 375.520 3.784 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3cccc(Cl)c3)cc2)C[C@H](C)O1 ZINC000743262095 868032127 /nfs/dbraw/zinc/03/21/27/868032127.db2.gz PSBIMLJZIFQKFB-HYFFOGBASA-N 2 1 388.939 3.772 20 0 GHADMP Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000743263102 868034210 /nfs/dbraw/zinc/03/42/10/868034210.db2.gz ZKBZAZATFRZFPZ-ROKPMTFOSA-N 2 1 382.548 3.736 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000535083200 868069111 /nfs/dbraw/zinc/06/91/11/868069111.db2.gz QPNDAVAXQHNXJF-UHFFFAOYSA-N 2 1 379.911 3.612 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000535083200 868069127 /nfs/dbraw/zinc/06/91/27/868069127.db2.gz QPNDAVAXQHNXJF-UHFFFAOYSA-N 2 1 379.911 3.612 20 0 GHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000479581579 868126080 /nfs/dbraw/zinc/12/60/80/868126080.db2.gz JORHSNDIFRMRAX-PXNSSMCTSA-N 2 1 386.584 3.682 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000553772955 868169238 /nfs/dbraw/zinc/16/92/38/868169238.db2.gz JMVZNWGCXPGXQE-QTEQDKRBSA-N 2 1 398.595 3.829 20 0 GHADMP CCN(Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000667549691 868463308 /nfs/dbraw/zinc/46/33/08/868463308.db2.gz TXZBHAWYVCCUKT-KNQAVFIVSA-N 2 1 375.520 3.925 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000157533612 868680458 /nfs/dbraw/zinc/68/04/58/868680458.db2.gz RIDWIOIMRCLRHY-RBUKOAKNSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000157533612 868680464 /nfs/dbraw/zinc/68/04/64/868680464.db2.gz RIDWIOIMRCLRHY-RBUKOAKNSA-N 2 1 397.567 3.559 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000133414267 882223690 /nfs/dbraw/zinc/22/36/90/882223690.db2.gz GESIJQLTPHZCML-HNNXBMFYSA-N 2 1 397.485 3.831 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000133414267 882223703 /nfs/dbraw/zinc/22/37/03/882223703.db2.gz GESIJQLTPHZCML-HNNXBMFYSA-N 2 1 397.485 3.831 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000157917748 868801325 /nfs/dbraw/zinc/80/13/25/868801325.db2.gz RUZUEVYHYDYIBT-HXUWFJFHSA-N 2 1 399.539 3.530 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000524289014 868832827 /nfs/dbraw/zinc/83/28/27/868832827.db2.gz YSSRSDADILGEMS-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000524447491 869096911 /nfs/dbraw/zinc/09/69/11/869096911.db2.gz RFTLNNRDYCZBGT-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000524447491 869096921 /nfs/dbraw/zinc/09/69/21/869096921.db2.gz RFTLNNRDYCZBGT-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000524447491 869096933 /nfs/dbraw/zinc/09/69/33/869096933.db2.gz RFTLNNRDYCZBGT-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)CC1 ZINC000445889070 869114785 /nfs/dbraw/zinc/11/47/85/869114785.db2.gz YFSIWZXZNGTGJH-IBGZPJMESA-N 2 1 399.501 3.596 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000487519911 869338080 /nfs/dbraw/zinc/33/80/80/869338080.db2.gz RXNNPPHWJNUSMR-XMSQKQJNSA-N 2 1 380.536 3.780 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000446134220 869419657 /nfs/dbraw/zinc/41/96/57/869419657.db2.gz CVRACSDDLXHDSK-IBGZPJMESA-N 2 1 386.584 3.687 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCc4cc(F)ccc4C2)CC3)cn1 ZINC001168431611 869532681 /nfs/dbraw/zinc/53/26/81/869532681.db2.gz NLVGGCFDQKHKBF-QFIPXVFZSA-N 2 1 382.527 3.547 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCc4cc(F)ccc4C2)CC3)cn1 ZINC001168431611 869532692 /nfs/dbraw/zinc/53/26/92/869532692.db2.gz NLVGGCFDQKHKBF-QFIPXVFZSA-N 2 1 382.527 3.547 20 0 GHADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000462690547 869902658 /nfs/dbraw/zinc/90/26/58/869902658.db2.gz IJTPHQUNPYUFRU-WOJBJXKFSA-N 2 1 397.563 3.946 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000446592408 870041759 /nfs/dbraw/zinc/04/17/59/870041759.db2.gz WSFSKROHKOAQPJ-WIYYLYMNSA-N 2 1 380.536 3.575 20 0 GHADMP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000462819029 870152075 /nfs/dbraw/zinc/15/20/75/870152075.db2.gz SFBWKPLBKMIKBZ-ILWGZMRPSA-N 2 1 378.564 3.689 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]34)c2)C1 ZINC000462852237 870203671 /nfs/dbraw/zinc/20/36/71/870203671.db2.gz DHVKOZNCUFGDOZ-WJNCPCKPSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)c2)C1 ZINC000462852237 870203680 /nfs/dbraw/zinc/20/36/80/870203680.db2.gz DHVKOZNCUFGDOZ-WJNCPCKPSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)c2)C1 ZINC000462852237 870203691 /nfs/dbraw/zinc/20/36/91/870203691.db2.gz DHVKOZNCUFGDOZ-WJNCPCKPSA-N 2 1 391.559 3.576 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(I)ccc2Cl)CC1 ZINC001205591050 870256869 /nfs/dbraw/zinc/25/68/69/870256869.db2.gz CLLMZIHRXDFFDP-AWEZNQCLSA-N 2 1 396.675 3.598 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(I)ccc2Cl)CC1 ZINC001205591050 870256875 /nfs/dbraw/zinc/25/68/75/870256875.db2.gz CLLMZIHRXDFFDP-AWEZNQCLSA-N 2 1 396.675 3.598 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)[C@@H](C)C1 ZINC000248422744 870401501 /nfs/dbraw/zinc/40/15/01/870401501.db2.gz MUSZICVDXAQZSE-SVMVAKDDSA-N 2 1 399.579 3.760 20 0 GHADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCC2 ZINC000248457051 870432848 /nfs/dbraw/zinc/43/28/48/870432848.db2.gz SSQGOWSARXDEAC-RBUKOAKNSA-N 2 1 385.577 3.829 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1OC(F)F ZINC000248458810 870434077 /nfs/dbraw/zinc/43/40/77/870434077.db2.gz VDZPLINQXOPEGS-KBXCAEBGSA-N 2 1 394.437 3.845 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000248461874 870437858 /nfs/dbraw/zinc/43/78/58/870437858.db2.gz XVZRHXXRCYOVFR-UWJYYQICSA-N 2 1 384.520 3.511 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000248463315 870440499 /nfs/dbraw/zinc/44/04/99/870440499.db2.gz YWHNPGCDXSZKKU-JTHBVZDNSA-N 2 1 382.573 3.764 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248564120 870497388 /nfs/dbraw/zinc/49/73/88/870497388.db2.gz KGHRGDQPOCUGKA-AVYPCKFXSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248564120 870497392 /nfs/dbraw/zinc/49/73/92/870497392.db2.gz KGHRGDQPOCUGKA-AVYPCKFXSA-N 2 1 393.934 3.827 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cn1 ZINC000491286876 870512158 /nfs/dbraw/zinc/51/21/58/870512158.db2.gz XITONLUCUGFJEK-UHFFFAOYSA-N 2 1 389.503 3.614 20 0 GHADMP COC(=O)CC1([NH2+]C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CCC1 ZINC001192603258 870535738 /nfs/dbraw/zinc/53/57/38/870535738.db2.gz BSYOLYGXEIQAIA-JOCHJYFZSA-N 2 1 380.532 3.978 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000538752690 870570320 /nfs/dbraw/zinc/57/03/20/870570320.db2.gz GBWFKKHDNGPDQZ-UHFFFAOYSA-N 2 1 391.575 3.996 20 0 GHADMP C[C@H](C(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000525393674 870603183 /nfs/dbraw/zinc/60/31/83/870603183.db2.gz SGRPTALNVPLJSV-NHCUHLMSSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000525393674 870603186 /nfs/dbraw/zinc/60/31/86/870603186.db2.gz SGRPTALNVPLJSV-NHCUHLMSSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000525393674 870603190 /nfs/dbraw/zinc/60/31/90/870603190.db2.gz SGRPTALNVPLJSV-NHCUHLMSSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000525393674 870603202 /nfs/dbraw/zinc/60/32/02/870603202.db2.gz SGRPTALNVPLJSV-NHCUHLMSSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000540158820 870619651 /nfs/dbraw/zinc/61/96/51/870619651.db2.gz ZNAHZHXVUVYMSQ-UYHISHBKSA-N 2 1 385.321 3.617 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000540156087 870643052 /nfs/dbraw/zinc/64/30/52/870643052.db2.gz FOJJYNJSBTUVGQ-QFBILLFUSA-N 2 1 393.453 3.979 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)ncn1 ZINC000540174522 870663959 /nfs/dbraw/zinc/66/39/59/870663959.db2.gz FBFFLAUVFSFARI-OIBXWCBGSA-N 2 1 393.579 3.508 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)ncn1 ZINC000540174522 870663965 /nfs/dbraw/zinc/66/39/65/870663965.db2.gz FBFFLAUVFSFARI-OIBXWCBGSA-N 2 1 393.579 3.508 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000248863077 870667679 /nfs/dbraw/zinc/66/76/79/870667679.db2.gz XSRNFYLJWYISLN-ROUUACIJSA-N 2 1 388.581 3.971 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000248863077 870667686 /nfs/dbraw/zinc/66/76/86/870667686.db2.gz XSRNFYLJWYISLN-ROUUACIJSA-N 2 1 388.581 3.971 20 0 GHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000525433080 870669340 /nfs/dbraw/zinc/66/93/40/870669340.db2.gz BJNZRASEXOPIAZ-DEOSSOPVSA-N 2 1 391.559 3.606 20 0 GHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000525433080 870669350 /nfs/dbraw/zinc/66/93/50/870669350.db2.gz BJNZRASEXOPIAZ-DEOSSOPVSA-N 2 1 391.559 3.606 20 0 GHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000525433080 870669358 /nfs/dbraw/zinc/66/93/58/870669358.db2.gz BJNZRASEXOPIAZ-DEOSSOPVSA-N 2 1 391.559 3.606 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3cc(C)ccc3n2)CC1)CC(C)C ZINC000540198050 870738947 /nfs/dbraw/zinc/73/89/47/870738947.db2.gz AMOXYOYJRFRDJE-UHFFFAOYSA-N 2 1 384.568 3.583 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000463070475 870825696 /nfs/dbraw/zinc/82/56/96/870825696.db2.gz SRUJQLBPFZQOIX-NRFANRHFSA-N 2 1 377.576 3.730 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)C[C@H](C)O1 ZINC000540244613 870845506 /nfs/dbraw/zinc/84/55/06/870845506.db2.gz CFIFDDVHQNRRDU-JKSBSHDWSA-N 2 1 392.971 3.918 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)C[C@H](C)O1 ZINC000540244613 870845522 /nfs/dbraw/zinc/84/55/22/870845522.db2.gz CFIFDDVHQNRRDU-JKSBSHDWSA-N 2 1 392.971 3.918 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130678 870949822 /nfs/dbraw/zinc/94/98/22/870949822.db2.gz HILLOFZQFOLRDU-NFBKMPQASA-N 3 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130678 870949836 /nfs/dbraw/zinc/94/98/36/870949836.db2.gz HILLOFZQFOLRDU-NFBKMPQASA-N 3 1 381.564 3.770 20 0 GHADMP CCN(C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000538946866 870954829 /nfs/dbraw/zinc/95/48/29/870954829.db2.gz JKFYCBAFTYLPQP-UHFFFAOYSA-N 2 1 386.584 3.801 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC000463121858 870962088 /nfs/dbraw/zinc/96/20/88/870962088.db2.gz BHTULQXDZWOJON-PTUXOGIPSA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC000463121858 870962099 /nfs/dbraw/zinc/96/20/99/870962099.db2.gz BHTULQXDZWOJON-PTUXOGIPSA-N 2 1 393.579 3.651 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447086524 870967983 /nfs/dbraw/zinc/96/79/83/870967983.db2.gz MOTPVYXAVYKFKK-KRWDZBQOSA-N 2 1 385.577 3.972 20 0 GHADMP CN(CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@@H]1CCCC[N@H+]1C ZINC000538967134 870992287 /nfs/dbraw/zinc/99/22/87/870992287.db2.gz YPRFWLZNGFWYFE-HNNXBMFYSA-N 2 1 387.597 3.501 20 0 GHADMP C[N@@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@@H]1CCCC[NH+]1C ZINC000538967134 870992299 /nfs/dbraw/zinc/99/22/99/870992299.db2.gz YPRFWLZNGFWYFE-HNNXBMFYSA-N 2 1 387.597 3.501 20 0 GHADMP C[N@H+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@@H]1CCCC[NH+]1C ZINC000538967134 870992302 /nfs/dbraw/zinc/99/23/02/870992302.db2.gz YPRFWLZNGFWYFE-HNNXBMFYSA-N 2 1 387.597 3.501 20 0 GHADMP C[NH+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@@H]1CCCC[N@@H+]1C ZINC000538967134 870992316 /nfs/dbraw/zinc/99/23/16/870992316.db2.gz YPRFWLZNGFWYFE-HNNXBMFYSA-N 2 1 387.597 3.501 20 0 GHADMP C[NH+](CCc1nc2sc3c(c2c(N)n1)CCCC3)CC[C@@H]1CCCC[N@H+]1C ZINC000538967134 870992323 /nfs/dbraw/zinc/99/23/23/870992323.db2.gz YPRFWLZNGFWYFE-HNNXBMFYSA-N 2 1 387.597 3.501 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3ccc(Cl)cn3)CC2)cc1 ZINC000463204771 871135436 /nfs/dbraw/zinc/13/54/36/871135436.db2.gz KCBRUGSPMZNPGY-UHFFFAOYSA-N 2 1 377.891 3.550 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001169117377 871204506 /nfs/dbraw/zinc/20/45/06/871204506.db2.gz ZOZOIKLMEWOSHC-LDLYASANSA-N 2 1 393.369 3.712 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccccc3Cl)CC1)C2 ZINC001169116968 871207101 /nfs/dbraw/zinc/20/71/01/871207101.db2.gz VALUYLJDMPYQHT-JQALIZKVSA-N 2 1 375.944 3.596 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000525697571 871223187 /nfs/dbraw/zinc/22/31/87/871223187.db2.gz DIZSQSLBLBYJFI-UHFFFAOYSA-N 2 1 387.487 3.782 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC3(CC[NH2+]CC3)c3c1cccc3-c1cccnc1)C2 ZINC001169140848 871250049 /nfs/dbraw/zinc/25/00/49/871250049.db2.gz UCWFNPKQQHJSSW-AERCQKQUSA-N 2 1 388.559 3.815 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169154685 871267067 /nfs/dbraw/zinc/26/70/67/871267067.db2.gz RVKHJPHELNEDIL-REPLKXPHSA-N 2 1 395.469 3.525 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154740 871267496 /nfs/dbraw/zinc/26/74/96/871267496.db2.gz TYIWAUUNITYRGS-FFGOWVMKSA-N 2 1 377.573 3.723 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154740 871267512 /nfs/dbraw/zinc/26/75/12/871267512.db2.gz TYIWAUUNITYRGS-FFGOWVMKSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154740 871267538 /nfs/dbraw/zinc/26/75/38/871267538.db2.gz TYIWAUUNITYRGS-FFGOWVMKSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154740 871267559 /nfs/dbraw/zinc/26/75/59/871267559.db2.gz TYIWAUUNITYRGS-FFGOWVMKSA-N 2 1 377.573 3.723 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000539122995 871352116 /nfs/dbraw/zinc/35/21/16/871352116.db2.gz XGWZALBPPIGTDR-YADARESESA-N 2 1 398.547 3.973 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000539122995 871352132 /nfs/dbraw/zinc/35/21/32/871352132.db2.gz XGWZALBPPIGTDR-YADARESESA-N 2 1 398.547 3.973 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)CC1 ZINC001169254854 871353207 /nfs/dbraw/zinc/35/32/07/871353207.db2.gz JGVWJKPOMRYOIA-JOCHJYFZSA-N 2 1 381.564 3.546 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462001146 871422135 /nfs/dbraw/zinc/42/21/35/871422135.db2.gz GSGCAIXCBBDAID-SJBKTWHCSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462001146 871422147 /nfs/dbraw/zinc/42/21/47/871422147.db2.gz GSGCAIXCBBDAID-SJBKTWHCSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462001146 871422151 /nfs/dbraw/zinc/42/21/51/871422151.db2.gz GSGCAIXCBBDAID-SJBKTWHCSA-N 2 1 388.600 3.801 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462040575 871496439 /nfs/dbraw/zinc/49/64/39/871496439.db2.gz QZFUPUQVOGRTON-QFIPXVFZSA-N 2 1 398.547 3.688 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(C)c1I ZINC001205653373 871502368 /nfs/dbraw/zinc/50/23/68/871502368.db2.gz UARACJNHMAWKOK-BLLLJJGKSA-N 2 1 386.321 3.715 20 0 GHADMP CC[C@H](C[N@@H+](CC)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001169483879 871534018 /nfs/dbraw/zinc/53/40/18/871534018.db2.gz YEBUMWQRHMULHY-LEWJYISDSA-N 2 1 394.563 3.634 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001169488340 871588484 /nfs/dbraw/zinc/58/84/84/871588484.db2.gz ZXJVPNICCAZYAW-KRWDZBQOSA-N 2 1 379.976 3.883 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC001169557629 871636176 /nfs/dbraw/zinc/63/61/76/871636176.db2.gz YTUFRLAIGQTADO-VQIMIIECSA-N 2 1 388.474 3.854 20 0 GHADMP [NH3+]Cc1ccc2c(n1)N(c1nccc3c1CC[N@@H+](Cc1ccccc1)C3)CCC2 ZINC001169583975 871679065 /nfs/dbraw/zinc/67/90/65/871679065.db2.gz IYNMQQPCJWTJGX-UHFFFAOYSA-N 2 1 385.515 3.578 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000539336959 871722556 /nfs/dbraw/zinc/72/25/56/871722556.db2.gz MBCCRKPVQWYMDI-UHFFFAOYSA-N 2 1 398.816 3.758 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318518 872068145 /nfs/dbraw/zinc/06/81/45/872068145.db2.gz BVMJGBXAVPUWBQ-CVDCTZTESA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000093318518 872068168 /nfs/dbraw/zinc/06/81/68/872068168.db2.gz BVMJGBXAVPUWBQ-CVDCTZTESA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000093318518 872068190 /nfs/dbraw/zinc/06/81/90/872068190.db2.gz BVMJGBXAVPUWBQ-CVDCTZTESA-N 2 1 375.520 3.752 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000093318518 872068210 /nfs/dbraw/zinc/06/82/10/872068210.db2.gz BVMJGBXAVPUWBQ-CVDCTZTESA-N 2 1 375.520 3.752 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@@H](C)C1 ZINC000447732818 872218607 /nfs/dbraw/zinc/21/86/07/872218607.db2.gz YCHVEUTVTNUBNB-AVRDEDQJSA-N 2 1 383.536 3.831 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@@H](C)C1 ZINC000447732818 872218613 /nfs/dbraw/zinc/21/86/13/872218613.db2.gz YCHVEUTVTNUBNB-AVRDEDQJSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@@H](C)C1 ZINC000447732818 872218625 /nfs/dbraw/zinc/21/86/25/872218625.db2.gz YCHVEUTVTNUBNB-AVRDEDQJSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OCc2cccnc2)[C@@H](C)C1 ZINC000447732818 872218640 /nfs/dbraw/zinc/21/86/40/872218640.db2.gz YCHVEUTVTNUBNB-AVRDEDQJSA-N 2 1 383.536 3.831 20 0 GHADMP O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000526947198 872316757 /nfs/dbraw/zinc/31/67/57/872316757.db2.gz SJPKPEBSSKFNHU-GIFXNVAJSA-N 2 1 395.591 3.766 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000552268220 872328965 /nfs/dbraw/zinc/32/89/65/872328965.db2.gz BGYQKSRMEUXZPJ-GJZGRUSLSA-N 2 1 376.460 3.923 20 0 GHADMP c1nc2n(c1C[NH2+][C@@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000552276746 872376190 /nfs/dbraw/zinc/37/61/90/872376190.db2.gz IRKVXVUOKYWEDX-MDNUFGMLSA-N 2 1 378.564 4.000 20 0 GHADMP Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000619176593 872394422 /nfs/dbraw/zinc/39/44/22/872394422.db2.gz DZZAPDCEMFKEGR-SFHVURJKSA-N 2 1 396.535 3.671 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1)C1CC1 ZINC000552471950 872715925 /nfs/dbraw/zinc/71/59/25/872715925.db2.gz XQVPXJUWRPTBOK-HSZRJFAPSA-N 2 1 395.547 3.712 20 0 GHADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1c1ccc(Cl)c(F)c1 ZINC000552579010 872846933 /nfs/dbraw/zinc/84/69/33/872846933.db2.gz OUQYCFIQYDIJKO-HNNXBMFYSA-N 2 1 379.907 3.581 20 0 GHADMP C[C@H](C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000152985204 873045787 /nfs/dbraw/zinc/04/57/87/873045787.db2.gz YNXZFGZPQFQRSE-TZIWHRDSSA-N 2 1 395.551 3.533 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502770 873341822 /nfs/dbraw/zinc/34/18/22/873341822.db2.gz POEUFSZIOIBHNV-FCHUYYIVSA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502770 873341836 /nfs/dbraw/zinc/34/18/36/873341836.db2.gz POEUFSZIOIBHNV-FCHUYYIVSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502770 873341848 /nfs/dbraw/zinc/34/18/48/873341848.db2.gz POEUFSZIOIBHNV-FCHUYYIVSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502770 873341861 /nfs/dbraw/zinc/34/18/61/873341861.db2.gz POEUFSZIOIBHNV-FCHUYYIVSA-N 2 1 390.531 3.989 20 0 GHADMP Brc1sccc1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000527640288 873389866 /nfs/dbraw/zinc/38/98/66/873389866.db2.gz HHHUALPFLIIYPI-UHFFFAOYSA-N 2 1 381.339 3.633 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2csc(-c3cnn(C)c3)n2)C[N@H+]1Cc1ccccc1 ZINC000527684097 873491746 /nfs/dbraw/zinc/49/17/46/873491746.db2.gz RYJNOLMXFGDUNN-MJGOQNOKSA-N 2 1 395.576 3.934 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000541398937 873512868 /nfs/dbraw/zinc/51/28/68/873512868.db2.gz RAADCPYYLGUZBG-HBFSDRIKSA-N 2 1 386.584 3.872 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000541398937 873512881 /nfs/dbraw/zinc/51/28/81/873512881.db2.gz RAADCPYYLGUZBG-HBFSDRIKSA-N 2 1 386.584 3.872 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000448551153 873564851 /nfs/dbraw/zinc/56/48/51/873564851.db2.gz GLMHHLRHJGCTTO-BLLLJJGKSA-N 2 1 395.391 3.765 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000448551153 873564864 /nfs/dbraw/zinc/56/48/64/873564864.db2.gz GLMHHLRHJGCTTO-BLLLJJGKSA-N 2 1 395.391 3.765 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197167400 873633890 /nfs/dbraw/zinc/63/38/90/873633890.db2.gz HOLMPCZYJDHSGB-RBUKOAKNSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001197167400 873633893 /nfs/dbraw/zinc/63/38/93/873633893.db2.gz HOLMPCZYJDHSGB-RBUKOAKNSA-N 2 1 376.545 3.693 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882234 882762616 /nfs/dbraw/zinc/76/26/16/882762616.db2.gz IYOSEKLAYQQXII-PKTZIBPZSA-N 2 1 392.543 3.509 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000465420491 882791526 /nfs/dbraw/zinc/79/15/26/882791526.db2.gz DEGWTCSMMXENDZ-FSSWDIPSSA-N 2 1 386.584 3.726 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000769689519 874234052 /nfs/dbraw/zinc/23/40/52/874234052.db2.gz RVSMCPCSVXFYNG-ZWKOTPCHSA-N 2 1 397.604 3.691 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000449063278 874400547 /nfs/dbraw/zinc/40/05/47/874400547.db2.gz OOVCZYPNVBVNLT-SFHVURJKSA-N 2 1 398.547 3.898 20 0 GHADMP C[N@@H+](CCCOc1ccc2c(c1)OCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464842133 874613365 /nfs/dbraw/zinc/61/33/65/874613365.db2.gz FSDNZARPIAOEBY-FQEVSTJZSA-N 2 1 382.504 3.638 20 0 GHADMP C[NH+](CCCOc1ccc2c(c1)OCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842133 874613373 /nfs/dbraw/zinc/61/33/73/874613373.db2.gz FSDNZARPIAOEBY-FQEVSTJZSA-N 2 1 382.504 3.638 20 0 GHADMP C[NH+](CCCOc1ccc2c(c1)OCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464842133 874613383 /nfs/dbraw/zinc/61/33/83/874613383.db2.gz FSDNZARPIAOEBY-FQEVSTJZSA-N 2 1 382.504 3.638 20 0 GHADMP C[C@@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)C1 ZINC000541952715 874622494 /nfs/dbraw/zinc/62/24/94/874622494.db2.gz VZENDUVYHSLPOL-XMSQKQJNSA-N 2 1 387.593 3.686 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CCCO1 ZINC000449282428 874666649 /nfs/dbraw/zinc/66/66/49/874666649.db2.gz HMSHGTRXAIBTGD-GUYCJALGSA-N 2 1 385.321 3.666 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCOC3(CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC001199190037 874845089 /nfs/dbraw/zinc/84/50/89/874845089.db2.gz RJVDCKLVLBXSFU-DHIUTWEWSA-N 2 1 385.596 3.837 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000464976089 874877841 /nfs/dbraw/zinc/87/78/41/874877841.db2.gz XTAXVVVNOQVLCH-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000464976089 874877856 /nfs/dbraw/zinc/87/78/56/874877856.db2.gz XTAXVVVNOQVLCH-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000464976089 874877865 /nfs/dbraw/zinc/87/78/65/874877865.db2.gz XTAXVVVNOQVLCH-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000528692541 874900959 /nfs/dbraw/zinc/90/09/59/874900959.db2.gz PZQNQCLZDMWMJF-JOCHJYFZSA-N 2 1 380.536 3.780 20 0 GHADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542106802 874968641 /nfs/dbraw/zinc/96/86/41/874968641.db2.gz VQVGKPJQQSEERP-CTNGQTDRSA-N 2 1 381.486 3.703 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cccc4ccccc43)C2)CC1 ZINC000449510322 874975154 /nfs/dbraw/zinc/97/51/54/874975154.db2.gz XDDXKVZFFPNSFU-NRFANRHFSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cccc4ccccc43)C2)CC1 ZINC000449510322 874975162 /nfs/dbraw/zinc/97/51/62/874975162.db2.gz XDDXKVZFFPNSFU-NRFANRHFSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000449510322 874975172 /nfs/dbraw/zinc/97/51/72/874975172.db2.gz XDDXKVZFFPNSFU-NRFANRHFSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000449510322 874975184 /nfs/dbraw/zinc/97/51/84/874975184.db2.gz XDDXKVZFFPNSFU-NRFANRHFSA-N 2 1 379.548 3.606 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cnc3ccccn13)CC2 ZINC001203148652 875162464 /nfs/dbraw/zinc/16/24/64/875162464.db2.gz NLVTVOGZIFSCJW-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCCn1ccnc1C ZINC000528872399 875189510 /nfs/dbraw/zinc/18/95/10/875189510.db2.gz AAKKFXSYAFZIPU-FGZHOGPDSA-N 2 1 382.552 3.588 20 0 GHADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000528872399 875189521 /nfs/dbraw/zinc/18/95/21/875189521.db2.gz AAKKFXSYAFZIPU-FGZHOGPDSA-N 2 1 382.552 3.588 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000528872399 875189530 /nfs/dbraw/zinc/18/95/30/875189530.db2.gz AAKKFXSYAFZIPU-FGZHOGPDSA-N 2 1 382.552 3.588 20 0 GHADMP Cc1c(Br)cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Br ZINC001199906747 875220102 /nfs/dbraw/zinc/22/01/02/875220102.db2.gz OTZGTWXSFKCDRJ-JTQLQIEISA-N 2 1 378.152 3.950 20 0 GHADMP CC(C)[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[NH+]1CCCCC1 ZINC000465200394 875311405 /nfs/dbraw/zinc/31/14/05/875311405.db2.gz PWIQVQJKNYGBJB-DENIHFKCSA-N 2 1 387.568 3.856 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2C1 ZINC000491383589 875662196 /nfs/dbraw/zinc/66/21/96/875662196.db2.gz RWKWZWCBZDNVMD-XMMPIXPASA-N 2 1 377.532 3.734 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](CC1CCCCC1)CC2 ZINC001201393419 875670812 /nfs/dbraw/zinc/67/08/12/875670812.db2.gz JJCFSSAGOZWVEM-QFIPXVFZSA-N 2 1 378.601 3.796 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000178845216 882958023 /nfs/dbraw/zinc/95/80/23/882958023.db2.gz AQCLUDOHWMTEFR-WPYKKVEZSA-N 2 1 379.548 3.693 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000582304246 875726912 /nfs/dbraw/zinc/72/69/12/875726912.db2.gz GSVDGYJHAZRIIN-QIIPPGSGSA-N 2 1 378.467 3.711 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000303591896 875858254 /nfs/dbraw/zinc/85/82/54/875858254.db2.gz OXOJZKCREFLPAG-HSZRJFAPSA-N 2 1 385.596 3.869 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000303591896 875858264 /nfs/dbraw/zinc/85/82/64/875858264.db2.gz OXOJZKCREFLPAG-HSZRJFAPSA-N 2 1 385.596 3.869 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000303591896 875858270 /nfs/dbraw/zinc/85/82/70/875858270.db2.gz OXOJZKCREFLPAG-HSZRJFAPSA-N 2 1 385.596 3.869 20 0 GHADMP CCC[C@@H]1CCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450057145 875874041 /nfs/dbraw/zinc/87/40/41/875874041.db2.gz CVEZGNPHROBLQX-IFMALSPDSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947046 875949114 /nfs/dbraw/zinc/94/91/14/875949114.db2.gz QNRGFOXIPVLBLK-UONOGXRCSA-N 2 1 382.451 3.759 20 0 GHADMP C[C@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947046 875949122 /nfs/dbraw/zinc/94/91/22/875949122.db2.gz QNRGFOXIPVLBLK-UONOGXRCSA-N 2 1 382.451 3.759 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173327198 876323055 /nfs/dbraw/zinc/32/30/55/876323055.db2.gz AYBNDNJWUUREDO-LJQANCHMSA-N 2 1 397.563 3.692 20 0 GHADMP CCC[N@H+](C[C@@H](O)[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553294 876606905 /nfs/dbraw/zinc/60/69/05/876606905.db2.gz BJGFGXLNHYTXAG-AUSIDOKSSA-N 2 1 396.579 3.939 20 0 GHADMP CCC[N@@H+](C[C@@H](O)[C@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553294 876606911 /nfs/dbraw/zinc/60/69/11/876606911.db2.gz BJGFGXLNHYTXAG-AUSIDOKSSA-N 2 1 396.579 3.939 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000858361811 883048884 /nfs/dbraw/zinc/04/88/84/883048884.db2.gz DLWOKTMXUOUNPO-AHRSYUTCSA-N 2 1 390.572 3.985 20 0 GHADMP C[NH+](CCc1ccccn1)Cc1cc(C[N@@H+](C)CCc2ccccn2)ccc1F ZINC000450623124 876670283 /nfs/dbraw/zinc/67/02/83/876670283.db2.gz LBHXICACQCVOTN-UHFFFAOYSA-N 2 1 392.522 3.965 20 0 GHADMP C[NH+](CCc1ccccn1)Cc1ccc(F)c(C[N@H+](C)CCc2ccccn2)c1 ZINC000450623124 876670294 /nfs/dbraw/zinc/67/02/94/876670294.db2.gz LBHXICACQCVOTN-UHFFFAOYSA-N 2 1 392.522 3.965 20 0 GHADMP C[NH+](CCc1ccccn1)Cc1ccc(F)c(C[N@@H+](C)CCc2ccccn2)c1 ZINC000450623124 876670302 /nfs/dbraw/zinc/67/03/02/876670302.db2.gz LBHXICACQCVOTN-UHFFFAOYSA-N 2 1 392.522 3.965 20 0 GHADMP COC(=O)C1(C[NH+]2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000450618022 876690525 /nfs/dbraw/zinc/69/05/25/876690525.db2.gz RXCVWBINXPDRJI-UHFFFAOYSA-N 2 1 384.442 3.555 20 0 GHADMP COC(=O)C1(C[NH+]2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000450618022 876690531 /nfs/dbraw/zinc/69/05/31/876690531.db2.gz RXCVWBINXPDRJI-UHFFFAOYSA-N 2 1 384.442 3.555 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC000529838635 876732808 /nfs/dbraw/zinc/73/28/08/876732808.db2.gz VTSSDYVIKRLBLM-JOCHJYFZSA-N 2 1 395.547 3.541 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC000529838635 876732814 /nfs/dbraw/zinc/73/28/14/876732814.db2.gz VTSSDYVIKRLBLM-JOCHJYFZSA-N 2 1 395.547 3.541 20 0 GHADMP C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(F)c(CN(C)[C@@H](C)c2cnn(C)c2)c1 ZINC000450699607 876791967 /nfs/dbraw/zinc/79/19/67/876791967.db2.gz KNIQHAHCKCFSHM-SJORKVTESA-N 2 1 398.530 3.679 20 0 GHADMP C[C@H](c1cnn(C)c1)N(C)Cc1ccc(F)c(CN(C)[C@@H](C)c2cnn(C)c2)c1 ZINC000450699607 876791979 /nfs/dbraw/zinc/79/19/79/876791979.db2.gz KNIQHAHCKCFSHM-SJORKVTESA-N 2 1 398.530 3.679 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)cc1F ZINC000152115180 876882782 /nfs/dbraw/zinc/88/27/82/876882782.db2.gz CPONWUJIVMDKBM-UHFFFAOYSA-N 2 1 388.487 3.666 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421707 876903239 /nfs/dbraw/zinc/90/32/39/876903239.db2.gz XPSMKNPBXQCOQA-YLJYHZDGSA-N 2 1 390.449 3.924 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000850430755 876913535 /nfs/dbraw/zinc/91/35/35/876913535.db2.gz PLLQLHSMNSYJOQ-AOCRQIFASA-N 2 1 379.570 3.607 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000850430755 876913543 /nfs/dbraw/zinc/91/35/43/876913543.db2.gz PLLQLHSMNSYJOQ-AOCRQIFASA-N 2 1 379.570 3.607 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850434240 876917665 /nfs/dbraw/zinc/91/76/65/876917665.db2.gz VRSUJKFWNWJIHU-YUELXQCFSA-N 2 1 376.850 3.743 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850434240 876917671 /nfs/dbraw/zinc/91/76/71/876917671.db2.gz VRSUJKFWNWJIHU-YUELXQCFSA-N 2 1 376.850 3.743 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786789788 876941406 /nfs/dbraw/zinc/94/14/06/876941406.db2.gz OAVYQHYSZRYAOI-IBGZPJMESA-N 2 1 392.547 3.840 20 0 GHADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000786835312 876952953 /nfs/dbraw/zinc/95/29/53/876952953.db2.gz IPFGXEFDPHEXHN-MOPGFXCFSA-N 2 1 380.536 3.777 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)CCCO2 ZINC000850508788 876980064 /nfs/dbraw/zinc/98/00/64/876980064.db2.gz OFERLHVTFQUYOX-GOTSBHOMSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507226 876980341 /nfs/dbraw/zinc/98/03/41/876980341.db2.gz IEMQFFIASXGKAD-SUMWQHHRSA-N 2 1 394.346 3.993 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509649 876981491 /nfs/dbraw/zinc/98/14/91/876981491.db2.gz SJHYMPFREWNTDB-MBSDFSHPSA-N 2 1 390.531 3.598 20 0 GHADMP CCCC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000193070012 883086729 /nfs/dbraw/zinc/08/67/29/883086729.db2.gz NJGLUTNAEKNXKE-UXHICEINSA-N 2 1 384.524 3.592 20 0 GHADMP CCCC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000193070012 883086742 /nfs/dbraw/zinc/08/67/42/883086742.db2.gz NJGLUTNAEKNXKE-UXHICEINSA-N 2 1 384.524 3.592 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(N4CCCNC4=O)cc3)CC2)C1 ZINC000850577147 877047117 /nfs/dbraw/zinc/04/71/17/877047117.db2.gz TXIHXSSOYWXTFJ-GCJKJVERSA-N 2 1 384.568 3.739 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000174743430 877218529 /nfs/dbraw/zinc/21/85/29/877218529.db2.gz AXLRYSXTGFZLPS-HBFSDRIKSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000174743430 877218553 /nfs/dbraw/zinc/21/85/53/877218553.db2.gz AXLRYSXTGFZLPS-HBFSDRIKSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000174743430 877218575 /nfs/dbraw/zinc/21/85/75/877218575.db2.gz AXLRYSXTGFZLPS-HBFSDRIKSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccccc1 ZINC000642619068 912220725 /nfs/dbraw/zinc/22/07/25/912220725.db2.gz CRIFNVNZUYVSCP-WOJBJXKFSA-N 2 1 388.943 3.545 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152653079 877387180 /nfs/dbraw/zinc/38/71/80/877387180.db2.gz MRFUOGZOYOFXRZ-APWZRJJASA-N 2 1 395.975 3.704 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](Oc4ccccc4)C3(C)C)CC2)nc(C)[nH+]1 ZINC000551533306 877393327 /nfs/dbraw/zinc/39/33/27/877393327.db2.gz KLLVSNKOGQLSCE-RTWAWAEBSA-N 2 1 380.536 3.898 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000551538361 877403763 /nfs/dbraw/zinc/40/37/63/877403763.db2.gz HXVFRHPQBWSRJF-CIQXWFTPSA-N 2 1 399.604 3.827 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000137479462 877551283 /nfs/dbraw/zinc/55/12/83/877551283.db2.gz AABQHHAFJFOQLN-IEBWSBKVSA-N 2 1 391.515 3.887 20 0 GHADMP Cc1nc(NC2CC([NH+]3CCCCC3)C2)cc(NC2CC([NH+]3CCCCC3)C2)n1 ZINC000530378048 877673585 /nfs/dbraw/zinc/67/35/85/877673585.db2.gz BAUHPIZBPOYUGQ-UHFFFAOYSA-N 2 1 398.599 3.643 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245429160 877866630 /nfs/dbraw/zinc/86/66/30/877866630.db2.gz MXRGOQGNHOFDIH-OFNKIYASSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)CC2 ZINC000477725228 878078803 /nfs/dbraw/zinc/07/88/03/878078803.db2.gz YOUHWVQDVNBOIT-SSGKUCQKSA-N 2 1 378.564 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085349 878100820 /nfs/dbraw/zinc/10/08/20/878100820.db2.gz HOAFAWIWNXOQCH-SVFBPWRDSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085349 878100826 /nfs/dbraw/zinc/10/08/26/878100826.db2.gz HOAFAWIWNXOQCH-SVFBPWRDSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCC[C@]4(CCOC4)O3)C2)s1 ZINC001170085349 878100830 /nfs/dbraw/zinc/10/08/30/878100830.db2.gz HOAFAWIWNXOQCH-SVFBPWRDSA-N 2 1 378.582 3.538 20 0 GHADMP CC[N@@H+](CCCC(=O)N(C(C)C)C(C)(C)C[NH3+])[C@@H](C)Cc1ccc(OC)cc1 ZINC001183153518 912313411 /nfs/dbraw/zinc/31/34/11/912313411.db2.gz JGKWJQMPETVSFY-IBGZPJMESA-N 2 1 391.600 3.703 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000245581084 878145857 /nfs/dbraw/zinc/14/58/57/878145857.db2.gz IVQVAXFOHLRNAW-MSOLQXFVSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000245581084 878145869 /nfs/dbraw/zinc/14/58/69/878145869.db2.gz IVQVAXFOHLRNAW-MSOLQXFVSA-N 2 1 378.520 3.933 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000788526352 878158813 /nfs/dbraw/zinc/15/88/13/878158813.db2.gz PWLNCUTWCXXAQJ-PWIZWCRZSA-N 2 1 377.573 3.629 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)C1CCCCC1 ZINC000615893883 878231141 /nfs/dbraw/zinc/23/11/41/878231141.db2.gz GSKBGVBSPWVZBW-DHIUTWEWSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000615893883 878231154 /nfs/dbraw/zinc/23/11/54/878231154.db2.gz GSKBGVBSPWVZBW-DHIUTWEWSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000615893883 878231172 /nfs/dbraw/zinc/23/11/72/878231172.db2.gz GSKBGVBSPWVZBW-DHIUTWEWSA-N 2 1 398.595 3.877 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335793 878259269 /nfs/dbraw/zinc/25/92/69/878259269.db2.gz PBFRYTPINUNDLV-MCIONIFRSA-N 2 1 394.195 3.689 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335793 878259281 /nfs/dbraw/zinc/25/92/81/878259281.db2.gz PBFRYTPINUNDLV-MCIONIFRSA-N 2 1 394.195 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335793 878259296 /nfs/dbraw/zinc/25/92/96/878259296.db2.gz PBFRYTPINUNDLV-MCIONIFRSA-N 2 1 394.195 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335793 878259311 /nfs/dbraw/zinc/25/93/11/878259311.db2.gz PBFRYTPINUNDLV-MCIONIFRSA-N 2 1 394.195 3.689 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000788669645 878262807 /nfs/dbraw/zinc/26/28/07/878262807.db2.gz FOCJTSQIHKPCKR-AQNXPRMDSA-N 2 1 381.605 3.980 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000245655407 878295747 /nfs/dbraw/zinc/29/57/47/878295747.db2.gz DIPUAQGGWNTJQG-WMAOBNEYSA-N 2 1 385.596 3.659 20 0 GHADMP C[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000788796018 878323864 /nfs/dbraw/zinc/32/38/64/878323864.db2.gz DAKLDTLEPVTXEP-QHGAOEGBSA-N 2 1 375.557 3.932 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nnc(-c2ccccc2)s1 ZINC000530712619 878325184 /nfs/dbraw/zinc/32/51/84/878325184.db2.gz SFZXYGQRXIJKMC-UHFFFAOYSA-N 2 1 399.608 3.838 20 0 GHADMP C[N@H+](CCC(=O)OCc1ccccc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000776599390 878326984 /nfs/dbraw/zinc/32/69/84/878326984.db2.gz ZVGQDEYVQFRAHI-UHFFFAOYSA-N 2 1 381.520 3.753 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000245677781 878345978 /nfs/dbraw/zinc/34/59/78/878345978.db2.gz GBUKGWSOXQSDSC-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC)CC1)CC1CC1 ZINC000537846715 878383265 /nfs/dbraw/zinc/38/32/65/878383265.db2.gz NJQKGQUNXBQUCH-SFHVURJKSA-N 2 1 387.568 3.856 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC)CC1)CC1CC1 ZINC000537846715 878383276 /nfs/dbraw/zinc/38/32/76/878383276.db2.gz NJQKGQUNXBQUCH-SFHVURJKSA-N 2 1 387.568 3.856 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245758764 878555512 /nfs/dbraw/zinc/55/55/12/878555512.db2.gz VGIMAKKOUPUEBY-JOZNFPNDSA-N 3 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245758764 878555526 /nfs/dbraw/zinc/55/55/26/878555526.db2.gz VGIMAKKOUPUEBY-JOZNFPNDSA-N 2 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1cccc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245758764 878555544 /nfs/dbraw/zinc/55/55/44/878555544.db2.gz VGIMAKKOUPUEBY-JOZNFPNDSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852753456 878578979 /nfs/dbraw/zinc/57/89/79/878578979.db2.gz BHCAWGNKZROXBA-TZIWHRDSSA-N 2 1 398.595 3.716 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530839593 878586589 /nfs/dbraw/zinc/58/65/89/878586589.db2.gz PLBCBJSKYSXKDP-YLJYHZDGSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000246041435 878887925 /nfs/dbraw/zinc/88/79/25/878887925.db2.gz NWYVARRWGPWYGW-UDKICSLYSA-N 2 1 392.609 3.610 20 0 GHADMP CC(C)(C)[C@@]1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC[NH+](Cc2ccccc2)C1 ZINC001183301491 912409031 /nfs/dbraw/zinc/40/90/31/912409031.db2.gz WHIGSIAGGUOPEG-MGUUAAOPSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC[NH+](Cc2ccccc2)C1 ZINC001183301491 912409042 /nfs/dbraw/zinc/40/90/42/912409042.db2.gz WHIGSIAGGUOPEG-MGUUAAOPSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC[N@H+](Cc2ccccc2)C1 ZINC001183301491 912409053 /nfs/dbraw/zinc/40/90/53/912409053.db2.gz WHIGSIAGGUOPEG-MGUUAAOPSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001183301491 912409062 /nfs/dbraw/zinc/40/90/62/912409062.db2.gz WHIGSIAGGUOPEG-MGUUAAOPSA-N 2 1 388.621 3.910 20 0 GHADMP CCN(CC)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000531057991 879030999 /nfs/dbraw/zinc/03/09/99/879030999.db2.gz HJWHNVUKEIXEPF-CEXWTWQISA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000531057991 879031014 /nfs/dbraw/zinc/03/10/14/879031014.db2.gz HJWHNVUKEIXEPF-CEXWTWQISA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000531057991 879031024 /nfs/dbraw/zinc/03/10/24/879031024.db2.gz HJWHNVUKEIXEPF-CEXWTWQISA-N 2 1 397.485 3.783 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1 ZINC001183283012 912427766 /nfs/dbraw/zinc/42/77/66/912427766.db2.gz YUIPQMMGMGASFB-IWVAADPLSA-N 2 1 399.579 3.790 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000531139949 879221900 /nfs/dbraw/zinc/22/19/00/879221900.db2.gz JSSSWEYUTGLEBG-KBMXLJTQSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000531139949 879221907 /nfs/dbraw/zinc/22/19/07/879221907.db2.gz JSSSWEYUTGLEBG-KBMXLJTQSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000531139949 879221917 /nfs/dbraw/zinc/22/19/17/879221917.db2.gz JSSSWEYUTGLEBG-KBMXLJTQSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)CC1 ZINC000538304576 879222012 /nfs/dbraw/zinc/22/20/12/879222012.db2.gz IHNAULFVLVRLEP-LJQANCHMSA-N 2 1 391.003 3.541 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246256440 879291902 /nfs/dbraw/zinc/29/19/02/879291902.db2.gz FXJCEKZPARIYHF-JTHBVZDNSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246256440 879291918 /nfs/dbraw/zinc/29/19/18/879291918.db2.gz FXJCEKZPARIYHF-JTHBVZDNSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246256440 879291935 /nfs/dbraw/zinc/29/19/35/879291935.db2.gz FXJCEKZPARIYHF-JTHBVZDNSA-N 2 1 398.595 3.685 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]C[C@H]2CCc3ccccc32)c1)C1CCOCC1 ZINC000790047659 879425444 /nfs/dbraw/zinc/42/54/44/879425444.db2.gz ATKVLVADEKCNBV-JOCHJYFZSA-N 2 1 394.559 3.996 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000246396049 879509525 /nfs/dbraw/zinc/50/95/25/879509525.db2.gz RGKIQOQMSYQUPG-SQGPQFPESA-N 2 1 394.991 3.847 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000139825228 879808811 /nfs/dbraw/zinc/80/88/11/879808811.db2.gz YMQMSIYPCDRRHF-ZRGHVXQMSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc2ccccc2c1 ZINC000139825228 879808821 /nfs/dbraw/zinc/80/88/21/879808821.db2.gz YMQMSIYPCDRRHF-ZRGHVXQMSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc2ccccc2c1 ZINC000139825228 879808836 /nfs/dbraw/zinc/80/88/36/879808836.db2.gz YMQMSIYPCDRRHF-ZRGHVXQMSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc2ccccc2c1 ZINC000139825228 879808850 /nfs/dbraw/zinc/80/88/50/879808850.db2.gz YMQMSIYPCDRRHF-ZRGHVXQMSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000139825228 879808865 /nfs/dbraw/zinc/80/88/65/879808865.db2.gz YMQMSIYPCDRRHF-ZRGHVXQMSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000531427573 879815801 /nfs/dbraw/zinc/81/58/01/879815801.db2.gz KTWNQCBCUSADNR-NZQKXSOJSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000531427573 879815819 /nfs/dbraw/zinc/81/58/19/879815819.db2.gz KTWNQCBCUSADNR-NZQKXSOJSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000531427573 879815829 /nfs/dbraw/zinc/81/58/29/879815829.db2.gz KTWNQCBCUSADNR-NZQKXSOJSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000531427573 879815843 /nfs/dbraw/zinc/81/58/43/879815843.db2.gz KTWNQCBCUSADNR-NZQKXSOJSA-N 2 1 391.559 3.951 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000531443997 879864934 /nfs/dbraw/zinc/86/49/34/879864934.db2.gz ZYWFFOQHLHIRNW-NHCUHLMSSA-N 2 1 398.595 3.719 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000461464922 879883110 /nfs/dbraw/zinc/88/31/10/879883110.db2.gz DAGYTQQLCBXPCX-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000461464922 879883129 /nfs/dbraw/zinc/88/31/29/879883129.db2.gz DAGYTQQLCBXPCX-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000461464922 879883154 /nfs/dbraw/zinc/88/31/54/879883154.db2.gz DAGYTQQLCBXPCX-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP CC[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065058 879906422 /nfs/dbraw/zinc/90/64/22/879906422.db2.gz ZYZSHTCAGNUSFO-QMMLZNLJSA-N 2 1 389.971 3.856 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000247133727 879927398 /nfs/dbraw/zinc/92/73/98/879927398.db2.gz RVCBULGFAYZFHH-RTBURBONSA-N 2 1 390.535 3.745 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000247299098 879964475 /nfs/dbraw/zinc/96/44/75/879964475.db2.gz GVXUTIXEMGUTEX-KCZVDYSFSA-N 2 1 397.588 3.912 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000247299098 879964485 /nfs/dbraw/zinc/96/44/85/879964485.db2.gz GVXUTIXEMGUTEX-KCZVDYSFSA-N 2 1 397.588 3.912 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494217556 880001171 /nfs/dbraw/zinc/00/11/71/880001171.db2.gz WMYSWFVDYCVWRH-AZUAARDMSA-N 2 1 392.906 3.714 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247550690 880023156 /nfs/dbraw/zinc/02/31/56/880023156.db2.gz PXCNINNMMDYMBR-TZIWHRDSSA-N 2 1 397.538 3.799 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000617507689 880059247 /nfs/dbraw/zinc/05/92/47/880059247.db2.gz FZNNIURFIBMECF-NSHDSACASA-N 2 1 380.747 3.649 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000617507689 880059257 /nfs/dbraw/zinc/05/92/57/880059257.db2.gz FZNNIURFIBMECF-NSHDSACASA-N 2 1 380.747 3.649 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001170146303 880108237 /nfs/dbraw/zinc/10/82/37/880108237.db2.gz PUVSZXAGMDJRPY-OAQYLSRUSA-N 2 1 387.543 3.657 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001170146303 880108244 /nfs/dbraw/zinc/10/82/44/880108244.db2.gz PUVSZXAGMDJRPY-OAQYLSRUSA-N 2 1 387.543 3.657 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000531677081 880307034 /nfs/dbraw/zinc/30/70/34/880307034.db2.gz DCONADCYVJCJPM-ROUUACIJSA-N 2 1 379.976 3.931 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2ccccc2n1 ZINC000531677092 880307135 /nfs/dbraw/zinc/30/71/35/880307135.db2.gz GTLVKNNCTQRADY-UWJYYQICSA-N 2 1 380.561 3.936 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000531683047 880315394 /nfs/dbraw/zinc/31/53/94/880315394.db2.gz SJBSBDIFIWNKGU-XOKHGSTOSA-N 2 1 385.430 3.519 20 0 GHADMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnc2ccsc2c1 ZINC000531703077 880330357 /nfs/dbraw/zinc/33/03/57/880330357.db2.gz FHCIZCIBTAULRS-UTKZUKDTSA-N 2 1 380.561 3.936 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000184742736 880371545 /nfs/dbraw/zinc/37/15/45/880371545.db2.gz FGDQRWGIFNNXMK-OALUTQOASA-N 2 1 397.538 3.530 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)c(I)c1 ZINC000453077759 880430120 /nfs/dbraw/zinc/43/01/20/880430120.db2.gz KBDZDIYGIMYWBZ-NWDGAFQWSA-N 2 1 388.268 3.565 20 0 GHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc2n1CCS2 ZINC000453207817 880619709 /nfs/dbraw/zinc/61/97/09/880619709.db2.gz ZWHIRECDTZUCRF-ACRUOGEOSA-N 2 1 382.577 3.564 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cnc3c(Cl)cnn3c2)CC1 ZINC000453222142 880643381 /nfs/dbraw/zinc/64/33/81/880643381.db2.gz QLPLLCQBYFMVST-UHFFFAOYSA-N 2 1 397.954 3.958 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCc2nnc3n2CCCCC3)CC1 ZINC000286178886 912608755 /nfs/dbraw/zinc/60/87/55/912608755.db2.gz QTDFIXMYPKJGME-UHFFFAOYSA-N 2 1 395.595 3.970 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975751 880853755 /nfs/dbraw/zinc/85/37/55/880853755.db2.gz ZBTDYBQNBPPMQS-PGRDOPGGSA-N 2 1 397.950 3.814 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000776865744 880914873 /nfs/dbraw/zinc/91/48/73/880914873.db2.gz SUJFXLQBDZRXRU-MXNKGDRCSA-N 2 1 387.568 3.744 20 0 GHADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453428444 880932531 /nfs/dbraw/zinc/93/25/31/880932531.db2.gz HUZKUVWYKSQYKL-PELRDEGISA-N 2 1 380.536 3.750 20 0 GHADMP CCCOc1ncccc1C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000532042258 880974943 /nfs/dbraw/zinc/97/49/43/880974943.db2.gz FFYCJNWFPHGKNI-UHFFFAOYSA-N 2 1 382.552 3.692 20 0 GHADMP COc1ccc2nc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)sc2c1 ZINC000186928297 881026358 /nfs/dbraw/zinc/02/63/58/881026358.db2.gz PISKYVBUQJBMIG-HOTGVXAUSA-N 2 1 389.565 3.626 20 0 GHADMP CCC(CC)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000499139750 881258135 /nfs/dbraw/zinc/25/81/35/881258135.db2.gz DDZXSWIBGGUIOM-ZFFYZDHPSA-N 2 1 399.623 3.909 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001170281914 881334644 /nfs/dbraw/zinc/33/46/44/881334644.db2.gz HKRZSNOPLRQIAC-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001170281914 881334663 /nfs/dbraw/zinc/33/46/63/881334663.db2.gz HKRZSNOPLRQIAC-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001170281914 881334682 /nfs/dbraw/zinc/33/46/82/881334682.db2.gz HKRZSNOPLRQIAC-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000476822821 883215376 /nfs/dbraw/zinc/21/53/76/883215376.db2.gz UNMIQRLALAJENE-AJAVRQNISA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476822821 883215390 /nfs/dbraw/zinc/21/53/90/883215390.db2.gz UNMIQRLALAJENE-AJAVRQNISA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000476822821 883215405 /nfs/dbraw/zinc/21/54/05/883215405.db2.gz UNMIQRLALAJENE-AJAVRQNISA-N 2 1 398.595 3.602 20 0 GHADMP C[N@@H+](CCCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000195642163 883529013 /nfs/dbraw/zinc/52/90/13/883529013.db2.gz DDUMDMQVEIWADY-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP C[NH+](CCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000195642163 883529023 /nfs/dbraw/zinc/52/90/23/883529023.db2.gz DDUMDMQVEIWADY-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP C[NH+](CCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000195642163 883529032 /nfs/dbraw/zinc/52/90/32/883529032.db2.gz DDUMDMQVEIWADY-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000537698878 883630442 /nfs/dbraw/zinc/63/04/42/883630442.db2.gz ZYPAHOZEAWLPPQ-PCCBWWKXSA-N 2 1 388.943 3.518 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000537698878 883630450 /nfs/dbraw/zinc/63/04/50/883630450.db2.gz ZYPAHOZEAWLPPQ-PCCBWWKXSA-N 2 1 388.943 3.518 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC/C=C\c3ccc(Br)cc3)C2)CC1 ZINC000609771950 883632416 /nfs/dbraw/zinc/63/24/16/883632416.db2.gz KGZAGOZQKORPBZ-BOYDRYHPSA-N 2 1 392.385 3.564 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643545730 912732324 /nfs/dbraw/zinc/73/23/24/912732324.db2.gz BIERRELMBKCVRO-SJLPKXTDSA-N 2 1 376.566 3.728 20 0 GHADMP C(CCCC[NH+]1CC[C@@]2(CCOC2)C1)CCCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000249304300 912767054 /nfs/dbraw/zinc/76/70/54/912767054.db2.gz CTULAKYZAOMUSA-DHIUTWEWSA-N 2 1 378.601 3.942 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000465445165 883986764 /nfs/dbraw/zinc/98/67/64/883986764.db2.gz HBCRPZBFKUTTNV-FQEVSTJZSA-N 2 1 378.605 3.549 20 0 GHADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230023 884164814 /nfs/dbraw/zinc/16/48/14/884164814.db2.gz KXDGBZJLMLZLHW-ZRBLBEILSA-N 2 1 386.580 3.710 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)CC2)CC1 ZINC001183748153 912794515 /nfs/dbraw/zinc/79/45/15/912794515.db2.gz ILVFRNLNNFZQHO-HSZRJFAPSA-N 2 1 383.580 3.622 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@H]3CC[N@H+]3Cc3ccccc3)CC2)CC1 ZINC001183748153 912794526 /nfs/dbraw/zinc/79/45/26/912794526.db2.gz ILVFRNLNNFZQHO-HSZRJFAPSA-N 2 1 383.580 3.622 20 0 GHADMP CCn1c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc2cc(F)ccc21 ZINC000116761373 884173952 /nfs/dbraw/zinc/17/39/52/884173952.db2.gz LKZJNPPWFBHQBC-IAGOWNOFSA-N 2 1 388.531 3.517 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000193096092 884215173 /nfs/dbraw/zinc/21/51/73/884215173.db2.gz QVWJFOBRVSROSD-FQEVSTJZSA-N 2 1 388.943 3.504 20 0 GHADMP O=C(OCCCn1ccnc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000859962478 884216892 /nfs/dbraw/zinc/21/68/92/884216892.db2.gz SYNZWLAYKPQSGC-WOJBJXKFSA-N 2 1 395.528 3.794 20 0 GHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000666284778 884612402 /nfs/dbraw/zinc/61/24/02/884612402.db2.gz FEIZRVMIUICZRJ-OAQYLSRUSA-N 2 1 395.547 3.650 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130393797 884624421 /nfs/dbraw/zinc/62/44/21/884624421.db2.gz AOEXKGSANSNFNA-SIXWZSSISA-N 2 1 385.474 3.545 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130393797 884624432 /nfs/dbraw/zinc/62/44/32/884624432.db2.gz AOEXKGSANSNFNA-SIXWZSSISA-N 2 1 385.474 3.545 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1(C)C ZINC000556411483 884817993 /nfs/dbraw/zinc/81/79/93/884817993.db2.gz DEQOXRQTFDDNEK-UHFFFAOYSA-N 2 1 378.973 3.579 20 0 GHADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000640016730 885032792 /nfs/dbraw/zinc/03/27/92/885032792.db2.gz BSBGTRNCYAHWCK-UHFFFAOYSA-N 2 1 382.346 3.584 20 0 GHADMP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000537537761 885098437 /nfs/dbraw/zinc/09/84/37/885098437.db2.gz ZEOPQZGUPYHEMC-CVDCTZTESA-N 2 1 383.536 3.501 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000080204607 885401404 /nfs/dbraw/zinc/40/14/04/885401404.db2.gz IFCDPAGAMYRXKK-UHFFFAOYSA-N 2 1 378.605 3.545 20 0 GHADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000130986147 885402861 /nfs/dbraw/zinc/40/28/61/885402861.db2.gz ZHPMIWGTZJNGHC-CVDCTZTESA-N 2 1 383.584 3.908 20 0 GHADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000130986147 885402893 /nfs/dbraw/zinc/40/28/93/885402893.db2.gz ZHPMIWGTZJNGHC-CVDCTZTESA-N 2 1 383.584 3.908 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000495374143 885561606 /nfs/dbraw/zinc/56/16/06/885561606.db2.gz MSSMRLKCCXZJQW-IRFCIJBXSA-N 2 1 395.547 3.913 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000303515125 885604923 /nfs/dbraw/zinc/60/49/23/885604923.db2.gz XSTYQGBDCXPANY-FQEVSTJZSA-N 2 1 396.579 3.847 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000303515125 885604934 /nfs/dbraw/zinc/60/49/34/885604934.db2.gz XSTYQGBDCXPANY-FQEVSTJZSA-N 2 1 396.579 3.847 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000303515125 885604943 /nfs/dbraw/zinc/60/49/43/885604943.db2.gz XSTYQGBDCXPANY-FQEVSTJZSA-N 2 1 396.579 3.847 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000556591708 885606355 /nfs/dbraw/zinc/60/63/55/885606355.db2.gz MESLOPRYIRZVPH-HSZRJFAPSA-N 2 1 379.548 3.527 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC000556591708 885606367 /nfs/dbraw/zinc/60/63/67/885606367.db2.gz MESLOPRYIRZVPH-HSZRJFAPSA-N 2 1 379.548 3.527 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000532538414 885936091 /nfs/dbraw/zinc/93/60/91/885936091.db2.gz UUBHSDAVLDUJDV-HKUYNNGSSA-N 2 1 377.598 3.852 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001168319706 886246973 /nfs/dbraw/zinc/24/69/73/886246973.db2.gz WOXJVZUYVKPNQM-PKZBPHAMSA-N 2 1 383.552 3.530 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000670180240 886256519 /nfs/dbraw/zinc/25/65/19/886256519.db2.gz ZHZLXTHRCPLYRI-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000236933862 886897375 /nfs/dbraw/zinc/89/73/75/886897375.db2.gz FTFJFABILIWEJR-LJQANCHMSA-N 2 1 381.520 3.769 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000236933862 886897393 /nfs/dbraw/zinc/89/73/93/886897393.db2.gz FTFJFABILIWEJR-LJQANCHMSA-N 2 1 381.520 3.769 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccccc1)C1CCCCC1 ZINC000237152499 886915281 /nfs/dbraw/zinc/91/52/81/886915281.db2.gz FRVJGECDQBCWCY-HSZRJFAPSA-N 2 1 379.548 3.810 20 0 GHADMP O[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1F ZINC000762927300 887116159 /nfs/dbraw/zinc/11/61/59/887116159.db2.gz PCRPHYDGJXKDAG-QFIPXVFZSA-N 2 1 386.486 3.986 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(Cl)c1O ZINC000459330411 887396116 /nfs/dbraw/zinc/39/61/16/887396116.db2.gz SMBCWJCSMSIOBR-IYBDPMFKSA-N 2 1 396.959 3.766 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(Cl)c1O ZINC000459330411 887396128 /nfs/dbraw/zinc/39/61/28/887396128.db2.gz SMBCWJCSMSIOBR-IYBDPMFKSA-N 2 1 396.959 3.766 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629575 887629857 /nfs/dbraw/zinc/62/98/57/887629857.db2.gz VENNJZYAMVSMJU-WMZOPIPTSA-N 2 1 387.549 3.579 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000105123995 887694381 /nfs/dbraw/zinc/69/43/81/887694381.db2.gz AGSFHISZEOARAI-IEBWSBKVSA-N 2 1 380.602 3.551 20 0 GHADMP CCCCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(Cl)cc1 ZINC000532726762 888817927 /nfs/dbraw/zinc/81/79/27/888817927.db2.gz UXGDYGODHBLCIY-UHFFFAOYSA-N 2 1 379.976 3.933 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000454324000 888853899 /nfs/dbraw/zinc/85/38/99/888853899.db2.gz VHCHGIVOSNBZQD-IBGZPJMESA-N 2 1 398.595 3.877 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC1 ZINC000454625881 889399792 /nfs/dbraw/zinc/39/97/92/889399792.db2.gz UMIWBLRSGBOZOK-UHFFFAOYSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000644530748 913344390 /nfs/dbraw/zinc/34/43/90/913344390.db2.gz MQDDLDRWUCZJKB-GOSISDBHSA-N 2 1 387.474 3.795 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000868947998 889683528 /nfs/dbraw/zinc/68/35/28/889683528.db2.gz ZKLPXTWBYUKYOF-UHFFFAOYSA-N 2 1 397.567 3.525 20 0 GHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644580517 913379161 /nfs/dbraw/zinc/37/91/61/913379161.db2.gz NHTCFKMWXCKWPS-VXNXHJTFSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644580517 913379164 /nfs/dbraw/zinc/37/91/64/913379164.db2.gz NHTCFKMWXCKWPS-VXNXHJTFSA-N 2 1 382.548 3.545 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644651554 913429901 /nfs/dbraw/zinc/42/99/01/913429901.db2.gz ZCTSSRYRKKEJGC-ZEQRLZLVSA-N 2 1 396.575 3.881 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000125954277 890283893 /nfs/dbraw/zinc/28/38/93/890283893.db2.gz LXNMDFJQESTDGB-HOTGVXAUSA-N 2 1 396.373 3.876 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870920954 890576752 /nfs/dbraw/zinc/57/67/52/890576752.db2.gz IKKLRVRUHXVSEJ-SAABIXHNSA-N 2 1 397.485 3.646 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000126547577 890587998 /nfs/dbraw/zinc/58/79/98/890587998.db2.gz FUBNUOJKSOUVGD-HXUWFJFHSA-N 2 1 379.976 3.869 20 0 GHADMP C[C@H]([NH2+]Cc1nc(-c2ccncc2)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000872122265 891168868 /nfs/dbraw/zinc/16/88/68/891168868.db2.gz KZSKRNLTCFUVMJ-INIZCTEOSA-N 2 1 382.533 3.996 20 0 GHADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128019933 891371312 /nfs/dbraw/zinc/37/13/12/891371312.db2.gz ZPEACDAKRMTRIC-NQIIRXRSSA-N 2 1 395.547 3.600 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH+](C)C[C@H]2c2ccccc2)cc1 ZINC000497418455 891536429 /nfs/dbraw/zinc/53/64/29/891536429.db2.gz PVOJKJGUALLNRH-GOTSBHOMSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000497418455 891536433 /nfs/dbraw/zinc/53/64/33/891536433.db2.gz PVOJKJGUALLNRH-GOTSBHOMSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000497418455 891536435 /nfs/dbraw/zinc/53/64/35/891536435.db2.gz PVOJKJGUALLNRH-GOTSBHOMSA-N 2 1 379.548 3.746 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000116561617 891596220 /nfs/dbraw/zinc/59/62/20/891596220.db2.gz QLQUBZVGNSQUHW-GHTZIAJQSA-N 2 1 384.568 3.528 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000128456107 891954170 /nfs/dbraw/zinc/95/41/70/891954170.db2.gz CIPCNUYXBPUITQ-QGZVFWFLSA-N 2 1 398.414 3.603 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)[C@H]2CCC[C@H]21 ZINC000813877761 892056234 /nfs/dbraw/zinc/05/62/34/892056234.db2.gz CYFUDSWHPCMOJG-AKHDSKFASA-N 2 1 377.573 3.771 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000813881348 892063382 /nfs/dbraw/zinc/06/33/82/892063382.db2.gz OUHLYUAIFSQQTJ-QXVGPVHTSA-N 2 1 384.564 3.888 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261788427 892114464 /nfs/dbraw/zinc/11/44/64/892114464.db2.gz KCJOTVDOHOWZHZ-VPWXQRGCSA-N 2 1 397.485 3.594 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261853351 892142683 /nfs/dbraw/zinc/14/26/83/892142683.db2.gz RRHQAASVDCNEEZ-LJQANCHMSA-N 2 1 391.357 3.929 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261853351 892142690 /nfs/dbraw/zinc/14/26/90/892142690.db2.gz RRHQAASVDCNEEZ-LJQANCHMSA-N 2 1 391.357 3.929 20 0 GHADMP c1cc([C@@H]2CCC[NH2+]2)ccc1N[C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001170719160 892172288 /nfs/dbraw/zinc/17/22/88/892172288.db2.gz WAWFPVGSGSRHCJ-HJOGWXRNSA-N 2 1 382.596 3.862 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1)C1CC1 ZINC000261956401 892177555 /nfs/dbraw/zinc/17/75/55/892177555.db2.gz MAFWDLWBJBDRKV-JOCHJYFZSA-N 2 1 381.495 3.597 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1)C1CC1 ZINC000261956401 892177559 /nfs/dbraw/zinc/17/75/59/892177559.db2.gz MAFWDLWBJBDRKV-JOCHJYFZSA-N 2 1 381.495 3.597 20 0 GHADMP c1csc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261968602 892181336 /nfs/dbraw/zinc/18/13/36/892181336.db2.gz HZWLXLSLMSMPLV-QFIPXVFZSA-N 2 1 378.545 3.845 20 0 GHADMP c1csc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261968602 892181345 /nfs/dbraw/zinc/18/13/45/892181345.db2.gz HZWLXLSLMSMPLV-QFIPXVFZSA-N 2 1 378.545 3.845 20 0 GHADMP C[C@H](NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000875478043 892635315 /nfs/dbraw/zinc/63/53/15/892635315.db2.gz WJDOKSFIRUEUIB-PMACEKPBSA-N 2 1 390.616 3.689 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000508695724 892658152 /nfs/dbraw/zinc/65/81/52/892658152.db2.gz GBIRIYOVQZOLIT-HJNYFJLDSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709827 892815994 /nfs/dbraw/zinc/81/59/94/892815994.db2.gz JVJMUNYOHGBPIY-REWPJTCUSA-N 2 1 391.559 3.856 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001170770131 893262021 /nfs/dbraw/zinc/26/20/21/893262021.db2.gz ZODIRKNIZJJYFV-HXUWFJFHSA-N 2 1 386.540 3.989 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563119979 893374777 /nfs/dbraw/zinc/37/47/77/893374777.db2.gz OFMTUYCBXAIVIU-JOCHJYFZSA-N 2 1 393.531 3.811 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563119979 893374792 /nfs/dbraw/zinc/37/47/92/893374792.db2.gz OFMTUYCBXAIVIU-JOCHJYFZSA-N 2 1 393.531 3.811 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2cccs2)cc1 ZINC000563153655 893412579 /nfs/dbraw/zinc/41/25/79/893412579.db2.gz CRXRMCZTAWLBDI-QTEQDKRBSA-N 2 1 397.588 3.584 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533891571 893416822 /nfs/dbraw/zinc/41/68/22/893416822.db2.gz DAYCCDJPKJMWDF-DHIUTWEWSA-N 2 1 394.563 3.773 20 0 GHADMP CC1(c2ccccc2)CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000459436081 893494996 /nfs/dbraw/zinc/49/49/96/893494996.db2.gz WSPRTGPFASPZIE-QDBMRNDTSA-N 2 1 391.559 3.594 20 0 GHADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143638 893516734 /nfs/dbraw/zinc/51/67/34/893516734.db2.gz MWFKHCXNKFEYAP-RDPSFJRHSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143638 893516749 /nfs/dbraw/zinc/51/67/49/893516749.db2.gz MWFKHCXNKFEYAP-RDPSFJRHSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143638 893516763 /nfs/dbraw/zinc/51/67/63/893516763.db2.gz MWFKHCXNKFEYAP-RDPSFJRHSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143638 893516774 /nfs/dbraw/zinc/51/67/74/893516774.db2.gz MWFKHCXNKFEYAP-RDPSFJRHSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815145861 893518430 /nfs/dbraw/zinc/51/84/30/893518430.db2.gz GZDUORQNKOHAJC-IPJJNNNSSA-N 2 1 379.589 3.735 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815145861 893518445 /nfs/dbraw/zinc/51/84/45/893518445.db2.gz GZDUORQNKOHAJC-IPJJNNNSSA-N 2 1 379.589 3.735 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815145861 893518456 /nfs/dbraw/zinc/51/84/56/893518456.db2.gz GZDUORQNKOHAJC-IPJJNNNSSA-N 2 1 379.589 3.735 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2CN(C)Cc2ccco2)C[C@@H]1C ZINC000498229354 893660966 /nfs/dbraw/zinc/66/09/66/893660966.db2.gz WBHDWMGNMDTVIE-RBUKOAKNSA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H]1C ZINC000498229354 893660968 /nfs/dbraw/zinc/66/09/68/893660968.db2.gz WBHDWMGNMDTVIE-RBUKOAKNSA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@@H]1C ZINC000498229354 893660975 /nfs/dbraw/zinc/66/09/75/893660975.db2.gz WBHDWMGNMDTVIE-RBUKOAKNSA-N 2 1 398.551 3.536 20 0 GHADMP CC[NH+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@@H]1C ZINC000498229354 893660982 /nfs/dbraw/zinc/66/09/82/893660982.db2.gz WBHDWMGNMDTVIE-RBUKOAKNSA-N 2 1 398.551 3.536 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[C@@H](C)C[C@H]2n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000556119616 893833048 /nfs/dbraw/zinc/83/30/48/893833048.db2.gz BNMGGPOEURVNIH-MRWXXAKJSA-N 2 1 381.568 3.898 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000556119522 893834295 /nfs/dbraw/zinc/83/42/95/893834295.db2.gz ZDSRISPWMYJLSP-OWCLPIDISA-N 2 1 399.398 3.855 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1OC(F)F ZINC000536847888 893927742 /nfs/dbraw/zinc/92/77/42/893927742.db2.gz UKECKBBGNAAIFA-VUCTXSBTSA-N 2 1 388.886 3.970 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459647843 893974199 /nfs/dbraw/zinc/97/41/99/893974199.db2.gz KMYAMVQYWZJBBR-SFHVURJKSA-N 2 1 394.441 3.757 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2)C[C@H](C)O1 ZINC000563634133 893997282 /nfs/dbraw/zinc/99/72/82/893997282.db2.gz CSHSCVYFIHKIIR-KDURUIRLSA-N 2 1 395.547 3.652 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2)C[C@H](C)O1 ZINC000563634133 893997293 /nfs/dbraw/zinc/99/72/93/893997293.db2.gz CSHSCVYFIHKIIR-KDURUIRLSA-N 2 1 395.547 3.652 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000455838639 894053320 /nfs/dbraw/zinc/05/33/20/894053320.db2.gz BWJYSMZSGYUJKX-WMZHIEFXSA-N 2 1 392.547 3.879 20 0 GHADMP [NH3+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563712799 894096047 /nfs/dbraw/zinc/09/60/47/894096047.db2.gz HHMIQKNHWCJSBO-OAQYLSRUSA-N 2 1 394.563 3.523 20 0 GHADMP CCC[N@@H+](Cc1nc2c(o1)CCCC2)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000878245398 894126689 /nfs/dbraw/zinc/12/66/89/894126689.db2.gz ARDMPGCKOJGVTA-UHFFFAOYSA-N 2 1 383.540 3.841 20 0 GHADMP CCC[N@@H+](Cc1nc2c(o1)CCCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000878245398 894126713 /nfs/dbraw/zinc/12/67/13/894126713.db2.gz ARDMPGCKOJGVTA-UHFFFAOYSA-N 2 1 383.540 3.841 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3c2cccc3Br)C[C@H](C)O1 ZINC000537016601 894195477 /nfs/dbraw/zinc/19/54/77/894195477.db2.gz PQQXCUFXLNMQGT-KHYOSLBOSA-N 2 1 381.358 3.915 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878338142 894204138 /nfs/dbraw/zinc/20/41/38/894204138.db2.gz YFROJFIORRACJR-JOCHJYFZSA-N 2 1 387.568 3.596 20 0 GHADMP COc1cccc([C@H](O)C[N@H+](CCCn2cc[nH+]c2C)Cc2ccccc2)c1 ZINC000127410152 894725569 /nfs/dbraw/zinc/72/55/69/894725569.db2.gz BCIPTTPHBSVTPO-HSZRJFAPSA-N 2 1 379.504 3.826 20 0 GHADMP COc1cccc([C@H](O)C[N@@H+](CCCn2cc[nH+]c2C)Cc2ccccc2)c1 ZINC000127410152 894725593 /nfs/dbraw/zinc/72/55/93/894725593.db2.gz BCIPTTPHBSVTPO-HSZRJFAPSA-N 2 1 379.504 3.826 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000537391665 894888544 /nfs/dbraw/zinc/88/85/44/894888544.db2.gz CZGLELKACQQKQF-XMMPIXPASA-N 2 1 393.575 3.661 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000537391665 894888559 /nfs/dbraw/zinc/88/85/59/894888559.db2.gz CZGLELKACQQKQF-XMMPIXPASA-N 2 1 393.575 3.661 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537406126 894923081 /nfs/dbraw/zinc/92/30/81/894923081.db2.gz BPDXLAOAVHOBAW-WOJBJXKFSA-N 2 1 383.502 3.959 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCc4cccnc43)C3(C2)CCOCC3)cc1 ZINC000645490701 913933073 /nfs/dbraw/zinc/93/30/73/913933073.db2.gz MFAVYILPYUTSKQ-XZOQPEGZSA-N 2 1 391.559 3.977 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000564853606 895284080 /nfs/dbraw/zinc/28/40/80/895284080.db2.gz FDHWIPCUPXMNBS-ZMUKGBGYSA-N 2 1 382.548 3.534 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(COC(C)C)cc3)CC2)CC1 ZINC000565183187 895447094 /nfs/dbraw/zinc/44/70/94/895447094.db2.gz VPITXMNKXATJKL-UHFFFAOYSA-N 2 1 387.568 3.746 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cn4ccccc4n3)CC2)cs1 ZINC000565219523 895466325 /nfs/dbraw/zinc/46/63/25/895466325.db2.gz YBIZVEYUWUMWHG-INIZCTEOSA-N 2 1 383.565 3.916 20 0 GHADMP Cc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319513 895530319 /nfs/dbraw/zinc/53/03/19/895530319.db2.gz VFCBQBCERBLDIA-SDHSZQHLSA-N 2 1 393.575 3.793 20 0 GHADMP Cc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319513 895530330 /nfs/dbraw/zinc/53/03/30/895530330.db2.gz VFCBQBCERBLDIA-SDHSZQHLSA-N 2 1 393.575 3.793 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccccc3C)C3CC3)CC2)CC1 ZINC000565665456 895795033 /nfs/dbraw/zinc/79/50/33/895795033.db2.gz GFXQEELXBWQHJE-HSZRJFAPSA-N 2 1 383.580 3.759 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000645672095 914014236 /nfs/dbraw/zinc/01/42/36/914014236.db2.gz JVOMTCOTOKAIDE-XZOQPEGZSA-N 2 1 383.580 3.703 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1Cl ZINC001136033087 895933591 /nfs/dbraw/zinc/93/35/91/895933591.db2.gz BOLHIXWHSVHARY-XLIONFOSSA-N 2 1 379.976 3.960 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+]([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170890774 896069708 /nfs/dbraw/zinc/06/97/08/896069708.db2.gz WQGVUYFJRAEVNC-IBGZPJMESA-N 2 1 386.337 3.832 20 0 GHADMP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000566764796 896552013 /nfs/dbraw/zinc/55/20/13/896552013.db2.gz QKDKHFKGVBFNIX-HXUWFJFHSA-N 2 1 399.623 3.649 20 0 GHADMP Cc1ccccc1[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333093 896575195 /nfs/dbraw/zinc/57/51/95/896575195.db2.gz GDNUAECTCZBPQW-LADGPHEKSA-N 2 1 394.559 3.547 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170927995 896785041 /nfs/dbraw/zinc/78/50/41/896785041.db2.gz FVAYJEQEJVQZLX-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170927995 896785057 /nfs/dbraw/zinc/78/50/57/896785057.db2.gz FVAYJEQEJVQZLX-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170927995 896785067 /nfs/dbraw/zinc/78/50/67/896785067.db2.gz FVAYJEQEJVQZLX-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826283317 896882662 /nfs/dbraw/zinc/88/26/62/896882662.db2.gz OMOUXHLGMSBUCE-SFHVURJKSA-N 2 1 390.535 3.533 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000567120998 896889953 /nfs/dbraw/zinc/88/99/53/896889953.db2.gz VVUPKCDMNGIXOU-GHTZIAJQSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000567120998 896889967 /nfs/dbraw/zinc/88/99/67/896889967.db2.gz VVUPKCDMNGIXOU-GHTZIAJQSA-N 2 1 385.939 3.581 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001136335394 897303030 /nfs/dbraw/zinc/30/30/30/897303030.db2.gz XSSPFEVKTZAZGI-XLIONFOSSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001136335394 897303046 /nfs/dbraw/zinc/30/30/46/897303046.db2.gz XSSPFEVKTZAZGI-XLIONFOSSA-N 2 1 377.960 3.543 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)C3CCOCC3)cc2)C1 ZINC000883234946 897393053 /nfs/dbraw/zinc/39/30/53/897393053.db2.gz PTAGFVNHVBRXPA-DNQXCXABSA-N 2 1 398.522 3.650 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000567854075 897450652 /nfs/dbraw/zinc/45/06/52/897450652.db2.gz YLFOHLYXQKCJCU-QFIPXVFZSA-N 2 1 387.527 3.825 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000567854075 897450659 /nfs/dbraw/zinc/45/06/59/897450659.db2.gz YLFOHLYXQKCJCU-QFIPXVFZSA-N 2 1 387.527 3.825 20 0 GHADMP Cc1sc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000568057185 897563890 /nfs/dbraw/zinc/56/38/90/897563890.db2.gz VALRGCUVAZQWMM-UHFFFAOYSA-N 2 1 392.956 3.771 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001136397452 897639287 /nfs/dbraw/zinc/63/92/87/897639287.db2.gz FNSCVENZXZEWMS-UNMCSNQZSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001136397452 897639292 /nfs/dbraw/zinc/63/92/92/897639292.db2.gz FNSCVENZXZEWMS-UNMCSNQZSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)c1 ZINC001136397452 897639296 /nfs/dbraw/zinc/63/92/96/897639296.db2.gz FNSCVENZXZEWMS-UNMCSNQZSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)c1 ZINC001136397452 897639301 /nfs/dbraw/zinc/63/93/01/897639301.db2.gz FNSCVENZXZEWMS-UNMCSNQZSA-N 2 1 385.596 3.976 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000568192770 897666253 /nfs/dbraw/zinc/66/62/53/897666253.db2.gz SWTWZQHMYGGGFV-XMMPIXPASA-N 2 1 383.580 3.551 20 0 GHADMP Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc2)nc1 ZINC000821098047 897741167 /nfs/dbraw/zinc/74/11/67/897741167.db2.gz OAWCOXXUMBAWGL-SFHVURJKSA-N 2 1 399.539 3.576 20 0 GHADMP Cc1ccc(Oc2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc2)nc1 ZINC000821098047 897741176 /nfs/dbraw/zinc/74/11/76/897741176.db2.gz OAWCOXXUMBAWGL-SFHVURJKSA-N 2 1 399.539 3.576 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568630482 897995982 /nfs/dbraw/zinc/99/59/82/897995982.db2.gz WHNQAFVNQYXQSG-JTHBVZDNSA-N 2 1 380.532 3.906 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568630482 897995993 /nfs/dbraw/zinc/99/59/93/897995993.db2.gz WHNQAFVNQYXQSG-JTHBVZDNSA-N 2 1 380.532 3.906 20 0 GHADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000569106307 898345673 /nfs/dbraw/zinc/34/56/73/898345673.db2.gz UIOLYHKQNPOQAF-SIKLNZKXSA-N 2 1 386.561 3.528 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000569244839 898461976 /nfs/dbraw/zinc/46/19/76/898461976.db2.gz AJTDZKQOJVFEHT-SXWKCWPCSA-N 2 1 397.588 3.665 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822675129 898555102 /nfs/dbraw/zinc/55/51/02/898555102.db2.gz FIAMHONXTNRTKZ-QGZVFWFLSA-N 2 1 376.416 3.698 20 0 GHADMP C[N@H+](CC[C@@H]1CC1(Cl)Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000822675129 898555115 /nfs/dbraw/zinc/55/51/15/898555115.db2.gz FIAMHONXTNRTKZ-QGZVFWFLSA-N 3 1 376.416 3.698 20 0 GHADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000822675129 898555129 /nfs/dbraw/zinc/55/51/29/898555129.db2.gz FIAMHONXTNRTKZ-QGZVFWFLSA-N 3 1 376.416 3.698 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000822871081 898701390 /nfs/dbraw/zinc/70/13/90/898701390.db2.gz ZXHODDVZXKEINE-GDIGMMSISA-N 2 1 389.367 3.753 20 0 GHADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000646140230 914282610 /nfs/dbraw/zinc/28/26/10/914282610.db2.gz INARIGCYJJGDKI-UPVQGACJSA-N 2 1 377.532 3.510 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1O ZINC000289661360 914284862 /nfs/dbraw/zinc/28/48/62/914284862.db2.gz ITKMOBMCJSQQOK-KSZLIROESA-N 2 1 384.520 3.861 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000112532803 898890035 /nfs/dbraw/zinc/89/00/35/898890035.db2.gz WOPBPQFAOIFUHE-QHCPKHFHSA-N 2 1 393.531 3.515 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3/C=C\c3ccccc3)CC2)CC1 ZINC000569824564 898970654 /nfs/dbraw/zinc/97/06/54/898970654.db2.gz UVKREFRYTLPMAQ-AGXIJRPPSA-N 2 1 395.591 3.887 20 0 GHADMP COc1ccc(OCc2nc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)cs2)cc1 ZINC000113335802 898987442 /nfs/dbraw/zinc/98/74/42/898987442.db2.gz VAPUBSJQWNKXCK-OAHLLOKOSA-N 2 1 386.521 3.662 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc([C@H]3C[NH+]4CCC[C@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365598 899283537 /nfs/dbraw/zinc/28/35/37/899283537.db2.gz MUUMUPIFEGUFKN-DENIHFKCSA-N 2 1 382.508 3.647 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365598 899283547 /nfs/dbraw/zinc/28/35/47/899283547.db2.gz MUUMUPIFEGUFKN-DENIHFKCSA-N 2 1 382.508 3.647 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365598 899283561 /nfs/dbraw/zinc/28/35/61/899283561.db2.gz MUUMUPIFEGUFKN-DENIHFKCSA-N 2 1 382.508 3.647 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823971605 899335643 /nfs/dbraw/zinc/33/56/43/899335643.db2.gz UDSNCWKXIJDFBV-RTBURBONSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1 ZINC000570622714 899449661 /nfs/dbraw/zinc/44/96/61/899449661.db2.gz JKYAIKGNJSYWEV-QSNWEANLSA-N 2 1 395.551 3.613 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1 ZINC000570622714 899449666 /nfs/dbraw/zinc/44/96/66/899449666.db2.gz JKYAIKGNJSYWEV-QSNWEANLSA-N 2 1 395.551 3.613 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000646249235 914354077 /nfs/dbraw/zinc/35/40/77/914354077.db2.gz VLMYZRPIZGZOHY-LSUHJGNXSA-N 2 1 391.559 3.836 20 0 GHADMP Cc1ccn2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cnc2c1 ZINC001136886768 899671744 /nfs/dbraw/zinc/67/17/44/899671744.db2.gz WPCRNGAODNFITG-UHFFFAOYSA-N 2 1 396.560 3.571 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824553591 899683391 /nfs/dbraw/zinc/68/33/91/899683391.db2.gz DCRVICPEVAGYPG-USCONSEESA-N 2 1 388.519 3.811 20 0 GHADMP C[C@H](NC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccccc1Cl ZINC000824546387 899702338 /nfs/dbraw/zinc/70/23/38/899702338.db2.gz IIJXNMVEPUBWLC-HNNXBMFYSA-N 2 1 396.926 3.835 20 0 GHADMP CCC[C@]1(CO)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@](CO)(CCC)C3)c2)C1 ZINC000571083635 899735134 /nfs/dbraw/zinc/73/51/34/899735134.db2.gz GHRMRQNWBUPHQK-ZEQRLZLVSA-N 2 1 388.596 3.656 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000571103811 899741763 /nfs/dbraw/zinc/74/17/63/899741763.db2.gz JEMMVKIECZFAPK-GEKQFBOUSA-N 2 1 389.971 3.712 20 0 GHADMP C[C@H]1CC[NH+](CC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000571103811 899741767 /nfs/dbraw/zinc/74/17/67/899741767.db2.gz JEMMVKIECZFAPK-GEKQFBOUSA-N 2 1 389.971 3.712 20 0 GHADMP C[C@H]1CC[NH+](CC(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000571103811 899741771 /nfs/dbraw/zinc/74/17/71/899741771.db2.gz JEMMVKIECZFAPK-GEKQFBOUSA-N 2 1 389.971 3.712 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000333023128 899900169 /nfs/dbraw/zinc/90/01/69/899900169.db2.gz JWFTUHMTKFJYAJ-NHCUHLMSSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)c1 ZINC000333023128 899900178 /nfs/dbraw/zinc/90/01/78/899900178.db2.gz JWFTUHMTKFJYAJ-NHCUHLMSSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC000333023128 899900185 /nfs/dbraw/zinc/90/01/85/899900185.db2.gz JWFTUHMTKFJYAJ-NHCUHLMSSA-N 2 1 398.551 3.922 20 0 GHADMP NC(=O)[C@H]1CCC[NH+]1Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000333023128 899900195 /nfs/dbraw/zinc/90/01/95/899900195.db2.gz JWFTUHMTKFJYAJ-NHCUHLMSSA-N 2 1 398.551 3.922 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cs2)cc1 ZINC000571623034 899929109 /nfs/dbraw/zinc/92/91/09/899929109.db2.gz CCVGKGUUAOXWPF-WOJBJXKFSA-N 2 1 387.549 3.537 20 0 GHADMP CSC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+](C)CC1 ZINC000571695229 899947560 /nfs/dbraw/zinc/94/75/60/899947560.db2.gz SKAHKFUDIODXJB-YPAWHYETSA-N 3 1 387.637 3.704 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)nc2)[C@H](C)C1 ZINC000289883176 914401679 /nfs/dbraw/zinc/40/16/79/914401679.db2.gz STDCTWGGFXDPQV-INMHGKMJSA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)nc2)[C@H](C)C1 ZINC000289883176 914401686 /nfs/dbraw/zinc/40/16/86/914401686.db2.gz STDCTWGGFXDPQV-INMHGKMJSA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)nc2)[C@@H](C)C1 ZINC000289883188 914401778 /nfs/dbraw/zinc/40/17/78/914401778.db2.gz STDCTWGGFXDPQV-ZOBUZTSGSA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)nc2)[C@@H](C)C1 ZINC000289883188 914401786 /nfs/dbraw/zinc/40/17/86/914401786.db2.gz STDCTWGGFXDPQV-ZOBUZTSGSA-N 2 1 384.362 3.632 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)COC5)CC3)C2)cc1 ZINC001137025434 900121338 /nfs/dbraw/zinc/12/13/38/900121338.db2.gz FKFNJWZGFFUUJX-UHFFFAOYSA-N 2 1 392.543 3.892 20 0 GHADMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000573218023 900417920 /nfs/dbraw/zinc/41/79/20/900417920.db2.gz XIWCUDNNMHUZEI-UHFFFAOYSA-N 2 1 395.547 3.507 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312506 900462358 /nfs/dbraw/zinc/46/23/58/900462358.db2.gz HGVWMTCHOQHXDY-TZIWHRDSSA-N 2 1 399.604 3.857 20 0 GHADMP Cc1c(-c2cc(C[N@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)on2)cnn1C ZINC000574159383 900799494 /nfs/dbraw/zinc/79/94/94/900799494.db2.gz NXJDPAJZZRDXBL-XXBNENTESA-N 2 1 393.535 3.556 20 0 GHADMP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)O2 ZINC000886335538 900938627 /nfs/dbraw/zinc/93/86/27/900938627.db2.gz DMNKSEQJJAVMFN-KOPUSNGTSA-N 2 1 384.564 3.746 20 0 GHADMP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)O2 ZINC000886335538 900938634 /nfs/dbraw/zinc/93/86/34/900938634.db2.gz DMNKSEQJJAVMFN-KOPUSNGTSA-N 2 1 384.564 3.746 20 0 GHADMP CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc2ccccc21 ZINC000886361664 900956667 /nfs/dbraw/zinc/95/66/67/900956667.db2.gz QHKSSKBMGZABMF-JOCHJYFZSA-N 2 1 375.520 3.623 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4cc(Cl)ccc4C3)CC2)C1 ZINC001171133437 901011695 /nfs/dbraw/zinc/01/16/95/901011695.db2.gz LQPPJYSRMLAOKM-RXVVDRJESA-N 2 1 390.955 3.547 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001144099660 901064806 /nfs/dbraw/zinc/06/48/06/901064806.db2.gz ZMIDWCYIQQVNDX-FQEVSTJZSA-N 2 1 383.540 3.608 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001144099660 901064817 /nfs/dbraw/zinc/06/48/17/901064817.db2.gz ZMIDWCYIQQVNDX-FQEVSTJZSA-N 2 1 383.540 3.608 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177032 901197305 /nfs/dbraw/zinc/19/73/05/901197305.db2.gz ILDHUQZBBAMXGK-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177032 901197317 /nfs/dbraw/zinc/19/73/17/901197317.db2.gz ILDHUQZBBAMXGK-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177032 901197327 /nfs/dbraw/zinc/19/73/27/901197327.db2.gz ILDHUQZBBAMXGK-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4n3)C[C@@H]21 ZINC001144177032 901197336 /nfs/dbraw/zinc/19/73/36/901197336.db2.gz ILDHUQZBBAMXGK-BVYCBKJFSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)CO[C@@H]3CCCc4ccccc43)CC2)[nH+]c1C ZINC000886667493 901215223 /nfs/dbraw/zinc/21/52/23/901215223.db2.gz BNPBOIUHCZPXNL-RBBKRZOGSA-N 2 1 383.536 3.661 20 0 GHADMP CC[C@@H](C(=O)Nc1ccccc1N1CC[NH+](CC)CC1)[N@@H+](C)Cc1ccccc1 ZINC000576491080 902051689 /nfs/dbraw/zinc/05/16/89/902051689.db2.gz OIAFUUSSLPEKKL-QFIPXVFZSA-N 2 1 394.563 3.678 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC000333468921 902114978 /nfs/dbraw/zinc/11/49/78/902114978.db2.gz QXKFMRSBPABBAW-WIYYLYMNSA-N 2 1 398.551 3.779 20 0 GHADMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC000333468921 902114994 /nfs/dbraw/zinc/11/49/94/902114994.db2.gz QXKFMRSBPABBAW-WIYYLYMNSA-N 2 1 398.551 3.779 20 0 GHADMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC000333468921 902115001 /nfs/dbraw/zinc/11/50/01/902115001.db2.gz QXKFMRSBPABBAW-WIYYLYMNSA-N 2 1 398.551 3.779 20 0 GHADMP C[C@@H](C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000577026334 902442609 /nfs/dbraw/zinc/44/26/09/902442609.db2.gz NEELGBCKOSJWNS-RDPSFJRHSA-N 2 1 381.539 3.821 20 0 GHADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000577059838 902476183 /nfs/dbraw/zinc/47/61/83/902476183.db2.gz AVMSFSXXASWRKK-GOSISDBHSA-N 2 1 390.597 3.823 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4cccc5cc[nH]c54)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001144712945 902688344 /nfs/dbraw/zinc/68/83/44/902688344.db2.gz IVZNZWZEXXOTHV-VJBWXMMDSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](Cc4cccc5cc[nH]c54)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001144712945 902688354 /nfs/dbraw/zinc/68/83/54/902688354.db2.gz IVZNZWZEXXOTHV-VJBWXMMDSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4cccc5cc[nH]c54)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001144712945 902688360 /nfs/dbraw/zinc/68/83/60/902688360.db2.gz IVZNZWZEXXOTHV-VJBWXMMDSA-N 2 1 389.547 3.739 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)s1 ZINC000846100846 902713557 /nfs/dbraw/zinc/71/35/57/902713557.db2.gz UYDYFHUSQDMXHS-DYESRHJHSA-N 2 1 395.588 3.549 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)s1 ZINC000846100846 902713568 /nfs/dbraw/zinc/71/35/68/902713568.db2.gz UYDYFHUSQDMXHS-DYESRHJHSA-N 2 1 395.588 3.549 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)s1 ZINC000846100846 902713579 /nfs/dbraw/zinc/71/35/79/902713579.db2.gz UYDYFHUSQDMXHS-DYESRHJHSA-N 2 1 395.588 3.549 20 0 GHADMP COc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1O ZINC000290383656 914657607 /nfs/dbraw/zinc/65/76/07/914657607.db2.gz IGBNZKWWLHJBCH-UHFFFAOYSA-N 2 1 399.535 3.518 20 0 GHADMP COc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1O ZINC000290383656 914657615 /nfs/dbraw/zinc/65/76/15/914657615.db2.gz IGBNZKWWLHJBCH-UHFFFAOYSA-N 2 1 399.535 3.518 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000577637915 902985499 /nfs/dbraw/zinc/98/54/99/902985499.db2.gz JQOMIILHPLOQBN-DDUZABMNSA-N 2 1 378.467 3.711 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000600845686 902996593 /nfs/dbraw/zinc/99/65/93/902996593.db2.gz IPHRZRQSXFYAKU-UGKGYDQZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000600845686 902996600 /nfs/dbraw/zinc/99/66/00/902996600.db2.gz IPHRZRQSXFYAKU-UGKGYDQZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000600845686 902996612 /nfs/dbraw/zinc/99/66/12/902996612.db2.gz IPHRZRQSXFYAKU-UGKGYDQZSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[NH+]1CC(C)C1 ZINC000577885445 903308963 /nfs/dbraw/zinc/30/89/63/903308963.db2.gz JZCZZWXUNIMZSC-AYBZRNKSSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[NH+]1CC(C)C1 ZINC000577885445 903308974 /nfs/dbraw/zinc/30/89/74/903308974.db2.gz JZCZZWXUNIMZSC-AYBZRNKSSA-N 2 1 397.485 3.545 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000779047530 903483133 /nfs/dbraw/zinc/48/31/33/903483133.db2.gz XIPSQDOZOYNOTL-WOJBJXKFSA-N 2 1 384.524 3.574 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)CC1 ZINC000578147347 903560386 /nfs/dbraw/zinc/56/03/86/903560386.db2.gz KWMUYFKICLINSC-NRFANRHFSA-N 2 1 398.620 3.529 20 0 GHADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OCc1cccnc1 ZINC000290609662 914756517 /nfs/dbraw/zinc/75/65/17/914756517.db2.gz WKXUNXKQHLHVGF-UHFFFAOYSA-N 2 1 380.492 3.696 20 0 GHADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OCc1cccnc1 ZINC000290609662 914756528 /nfs/dbraw/zinc/75/65/28/914756528.db2.gz WKXUNXKQHLHVGF-UHFFFAOYSA-N 2 1 380.492 3.696 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000578490908 903898225 /nfs/dbraw/zinc/89/82/25/903898225.db2.gz JTYZYJKNPJTQRT-FCHUYYIVSA-N 2 1 378.520 3.756 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000578490908 903898231 /nfs/dbraw/zinc/89/82/31/903898231.db2.gz JTYZYJKNPJTQRT-FCHUYYIVSA-N 2 1 378.520 3.756 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(C)(C)c3ccccc3)CC2)CC1 ZINC000578519933 903929767 /nfs/dbraw/zinc/92/97/67/903929767.db2.gz LHLGCRAIMZSTCN-IBGZPJMESA-N 2 1 385.596 3.665 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578623229 904011819 /nfs/dbraw/zinc/01/18/19/904011819.db2.gz RTKFHXCRLNOERS-HNAYVOBHSA-N 2 1 398.378 3.982 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724470 904083125 /nfs/dbraw/zinc/08/31/25/904083125.db2.gz SNNIXEZQTGXHBL-GMAHTHKFSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724470 904083133 /nfs/dbraw/zinc/08/31/33/904083133.db2.gz SNNIXEZQTGXHBL-GMAHTHKFSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724470 904083143 /nfs/dbraw/zinc/08/31/43/904083143.db2.gz SNNIXEZQTGXHBL-GMAHTHKFSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724470 904083155 /nfs/dbraw/zinc/08/31/55/904083155.db2.gz SNNIXEZQTGXHBL-GMAHTHKFSA-N 2 1 385.596 3.939 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](NCC3([NH+]4CCCCC4)CCOCC3)CC23CC3)cc1 ZINC000578988786 904279577 /nfs/dbraw/zinc/27/95/77/904279577.db2.gz OUTXCPCZZUNBPK-HSZRJFAPSA-N 2 1 397.607 3.808 20 0 GHADMP COc1ccc(CC2([NH3+])CC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)CC2)cc1 ZINC001171356869 904347922 /nfs/dbraw/zinc/34/79/22/904347922.db2.gz DZLGONWSIFGGDM-LJQANCHMSA-N 2 1 386.486 3.867 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000773014181 904374168 /nfs/dbraw/zinc/37/41/68/904374168.db2.gz ITCADQQUNMWUBG-WBAXXEDZSA-N 2 1 389.367 3.753 20 0 GHADMP Fc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001171408183 904527765 /nfs/dbraw/zinc/52/77/65/904527765.db2.gz KVYXNMMBVKAZPJ-YPAWHYETSA-N 2 1 385.571 3.611 20 0 GHADMP c1cnn(-c2ccc(CNc3ccc4c(c3)[nH+]cn4[C@@H]3CCC[NH2+]CC3)cn2)c1 ZINC001171433338 904614763 /nfs/dbraw/zinc/61/47/63/904614763.db2.gz ZVMZPYMDMZZARZ-LJQANCHMSA-N 2 1 387.491 3.544 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171482072 904725377 /nfs/dbraw/zinc/72/53/77/904725377.db2.gz KWEDRQGCAXLCDI-TXTKFYIRSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171482072 904725387 /nfs/dbraw/zinc/72/53/87/904725387.db2.gz KWEDRQGCAXLCDI-TXTKFYIRSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCc4cc(F)c(F)cc4C3)C2)C1 ZINC001171482072 904725389 /nfs/dbraw/zinc/72/53/89/904725389.db2.gz KWEDRQGCAXLCDI-TXTKFYIRSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483266 904726970 /nfs/dbraw/zinc/72/69/70/904726970.db2.gz TVKWDTYVMDJORK-MIZPHKNDSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483266 904726980 /nfs/dbraw/zinc/72/69/80/904726980.db2.gz TVKWDTYVMDJORK-MIZPHKNDSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483266 904726987 /nfs/dbraw/zinc/72/69/87/904726987.db2.gz TVKWDTYVMDJORK-MIZPHKNDSA-N 2 1 390.518 3.502 20 0 GHADMP CC(C)(CC(=O)N1CCCC1)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001171491254 904735705 /nfs/dbraw/zinc/73/57/05/904735705.db2.gz WNSLOVVFKXOGCL-SFHVURJKSA-N 2 1 383.540 3.554 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001171590994 904818242 /nfs/dbraw/zinc/81/82/42/904818242.db2.gz FMRHTVQSFWIVIL-LNLFQRSKSA-N 2 1 378.561 3.985 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001171590994 904818251 /nfs/dbraw/zinc/81/82/51/904818251.db2.gz FMRHTVQSFWIVIL-LNLFQRSKSA-N 2 1 378.561 3.985 20 0 GHADMP C[N@H+]1CCCN(CC[NH2+]C2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001171645115 904891875 /nfs/dbraw/zinc/89/18/75/904891875.db2.gz CSSHKRVXVKEWPH-UHFFFAOYSA-N 2 1 394.401 3.702 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H](C)CCc1ccc(C)cc1)CCC2 ZINC001171670584 904909907 /nfs/dbraw/zinc/90/99/07/904909907.db2.gz FUTBHGVLZKIICR-FQEVSTJZSA-N 2 1 396.579 3.621 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)CC1(C)C ZINC001171638355 904927826 /nfs/dbraw/zinc/92/78/26/904927826.db2.gz UJWCQOLFJKXYMQ-NZQKXSOJSA-N 2 1 387.568 3.735 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171762921 904999346 /nfs/dbraw/zinc/99/93/46/904999346.db2.gz NJLHZZDVVMSKHZ-GATIMQMVSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762921 904999354 /nfs/dbraw/zinc/99/93/54/904999354.db2.gz NJLHZZDVVMSKHZ-GATIMQMVSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762921 904999365 /nfs/dbraw/zinc/99/93/65/904999365.db2.gz NJLHZZDVVMSKHZ-GATIMQMVSA-N 2 1 375.560 3.856 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290914180 914869561 /nfs/dbraw/zinc/86/95/61/914869561.db2.gz PRHLHAXFECBHRV-QGZVFWFLSA-N 2 1 380.319 3.635 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290914180 914869588 /nfs/dbraw/zinc/86/95/88/914869588.db2.gz PRHLHAXFECBHRV-QGZVFWFLSA-N 2 1 380.319 3.635 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001171860009 905107013 /nfs/dbraw/zinc/10/70/13/905107013.db2.gz FWOKNFMCWLKUBS-QHCPKHFHSA-N 2 1 391.559 3.936 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863280 905111642 /nfs/dbraw/zinc/11/16/42/905111642.db2.gz WPLHSVUCGOHDKK-CEXWTWQISA-N 2 1 377.573 3.582 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863280 905111650 /nfs/dbraw/zinc/11/16/50/905111650.db2.gz WPLHSVUCGOHDKK-CEXWTWQISA-N 2 1 377.573 3.582 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C[C@@H]2C1 ZINC001171863280 905111655 /nfs/dbraw/zinc/11/16/55/905111655.db2.gz WPLHSVUCGOHDKK-CEXWTWQISA-N 2 1 377.573 3.582 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001171951762 905159149 /nfs/dbraw/zinc/15/91/49/905159149.db2.gz AQHGEFPHRCJMPT-WVNPWQTNSA-N 2 1 376.566 3.624 20 0 GHADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977373 905223135 /nfs/dbraw/zinc/22/31/35/905223135.db2.gz QYLKCYAEZGTXEG-BDTNDASRSA-N 2 1 391.559 3.711 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[NH+]1Cc1ccccc1 ZINC001171977373 905223149 /nfs/dbraw/zinc/22/31/49/905223149.db2.gz QYLKCYAEZGTXEG-BDTNDASRSA-N 2 1 391.559 3.711 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[NH+]1Cc1ccccc1 ZINC001171977373 905223161 /nfs/dbraw/zinc/22/31/61/905223161.db2.gz QYLKCYAEZGTXEG-BDTNDASRSA-N 2 1 391.559 3.711 20 0 GHADMP CC1(C)C[C@H](n2ccncc2=N[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980011 905228775 /nfs/dbraw/zinc/22/87/75/905228775.db2.gz OGOFJPKUKLDKKV-YPAWHYETSA-N 2 1 393.579 3.669 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171980210 905231574 /nfs/dbraw/zinc/23/15/74/905231574.db2.gz PRPGGULBOFQGBW-FGZHOGPDSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCNC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171981969 905233704 /nfs/dbraw/zinc/23/37/04/905233704.db2.gz FEQYHAINRDZTQZ-OAQYLSRUSA-N 2 1 383.511 3.588 20 0 GHADMP Cc1c[nH+]ccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171983761 905237994 /nfs/dbraw/zinc/23/79/94/905237994.db2.gz AHGSUFLUTOMWNL-JOCHJYFZSA-N 2 1 378.564 3.955 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CCC3(CCC(=O)N3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984597 905240245 /nfs/dbraw/zinc/24/02/45/905240245.db2.gz WHWSKNBWLOIYAA-KWLQHXCVSA-N 2 1 383.580 3.858 20 0 GHADMP COc1cccc(O[C@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987180 905247048 /nfs/dbraw/zinc/24/70/48/905247048.db2.gz QOKDSVUHHGBBOM-SFTDATJTSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987180 905247066 /nfs/dbraw/zinc/24/70/66/905247066.db2.gz QOKDSVUHHGBBOM-SFTDATJTSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987180 905247082 /nfs/dbraw/zinc/24/70/82/905247082.db2.gz QOKDSVUHHGBBOM-SFTDATJTSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(N3CCCCC3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987806 905251027 /nfs/dbraw/zinc/25/10/27/905251027.db2.gz KATFYAVUJJIVRC-QFIPXVFZSA-N 2 1 383.580 3.907 20 0 GHADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172060742 905261194 /nfs/dbraw/zinc/26/11/94/905261194.db2.gz RMFSQLIEPJVHGU-KRWDZBQOSA-N 2 1 376.545 3.968 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000174453154 905274547 /nfs/dbraw/zinc/27/45/47/905274547.db2.gz BQYNKBBIKZUTDT-UHFFFAOYSA-N 2 1 388.313 3.914 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001172090699 905310583 /nfs/dbraw/zinc/31/05/83/905310583.db2.gz WCTJZRJCHNMSQD-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001172090699 905310598 /nfs/dbraw/zinc/31/05/98/905310598.db2.gz WCTJZRJCHNMSQD-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001172090699 905310613 /nfs/dbraw/zinc/31/06/13/905310613.db2.gz WCTJZRJCHNMSQD-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC(Oc4ccncn4)CC2)C3)cc1 ZINC001172091020 905311914 /nfs/dbraw/zinc/31/19/14/905311914.db2.gz ZUBLGENJWDQVCJ-KOUNCHBCSA-N 2 1 392.547 3.906 20 0 GHADMP O=C(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1nccs1 ZINC001172063253 905324906 /nfs/dbraw/zinc/32/49/06/905324906.db2.gz AZYPZTQLJFUNMY-LDLYASANSA-N 2 1 384.549 3.647 20 0 GHADMP COc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172066779 905332301 /nfs/dbraw/zinc/33/23/01/905332301.db2.gz BFFPORKLPXTCOK-YCSHWKNNSA-N 2 1 380.532 3.904 20 0 GHADMP COC(=O)c1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172067801 905334425 /nfs/dbraw/zinc/33/44/25/905334425.db2.gz SOHMEQCQTVJJGV-KOUNCHBCSA-N 2 1 379.504 3.544 20 0 GHADMP COC(=O)c1cncc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172067801 905334441 /nfs/dbraw/zinc/33/44/41/905334441.db2.gz SOHMEQCQTVJJGV-KOUNCHBCSA-N 2 1 379.504 3.544 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125889 905341414 /nfs/dbraw/zinc/34/14/14/905341414.db2.gz RDXVSPCVXBEDMG-FVQHAEBGSA-N 2 1 382.474 3.628 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125889 905341428 /nfs/dbraw/zinc/34/14/28/905341428.db2.gz RDXVSPCVXBEDMG-FVQHAEBGSA-N 2 1 382.474 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125889 905341446 /nfs/dbraw/zinc/34/14/46/905341446.db2.gz RDXVSPCVXBEDMG-FVQHAEBGSA-N 2 1 382.474 3.628 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001172125889 905341466 /nfs/dbraw/zinc/34/14/66/905341466.db2.gz RDXVSPCVXBEDMG-FVQHAEBGSA-N 2 1 382.474 3.628 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)CC1 ZINC001172102180 905349544 /nfs/dbraw/zinc/34/95/44/905349544.db2.gz LERABTFPMGBQHP-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1COc3ccc(Br)cc3C1)C2 ZINC001172115021 905367066 /nfs/dbraw/zinc/36/70/66/905367066.db2.gz TXGWEUXWMFKPSK-XDKFSHSGSA-N 2 1 379.342 3.605 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)sc1C ZINC001172119145 905375783 /nfs/dbraw/zinc/37/57/83/905375783.db2.gz SUXWSSOIARIJPF-AXGBLAMUSA-N 2 1 375.582 3.927 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[N@@H+]([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)sc1C ZINC001172119145 905375800 /nfs/dbraw/zinc/37/58/00/905375800.db2.gz SUXWSSOIARIJPF-AXGBLAMUSA-N 2 1 375.582 3.927 20 0 GHADMP Cc1nc([C@H]2C[C@@H]3CC[N@H+]([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)sc1C ZINC001172119145 905375817 /nfs/dbraw/zinc/37/58/17/905375817.db2.gz SUXWSSOIARIJPF-AXGBLAMUSA-N 2 1 375.582 3.927 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172122461 905382752 /nfs/dbraw/zinc/38/27/52/905382752.db2.gz BJNWHMJIKVPSBE-GSPCLOLRSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@H]2CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172122461 905382773 /nfs/dbraw/zinc/38/27/73/905382773.db2.gz BJNWHMJIKVPSBE-GSPCLOLRSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@H]2CN(C)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172122461 905382790 /nfs/dbraw/zinc/38/27/90/905382790.db2.gz BJNWHMJIKVPSBE-GSPCLOLRSA-N 2 1 385.596 3.997 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)CC1 ZINC001172215871 905418673 /nfs/dbraw/zinc/41/86/73/905418673.db2.gz MALISNXLLRKMLH-JTDLUGEMSA-N 2 1 390.955 3.719 20 0 GHADMP COCCCN1CCC([NH2+][C@H](CC2CCOCC2)c2ccccc2F)CC1 ZINC001172249015 905445734 /nfs/dbraw/zinc/44/57/34/905445734.db2.gz GDCSVBUTOXDWIP-JOCHJYFZSA-N 2 1 378.532 3.774 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H](CC2CCOCC2)c2ccccc2F)CC1 ZINC001172249015 905445744 /nfs/dbraw/zinc/44/57/44/905445744.db2.gz GDCSVBUTOXDWIP-JOCHJYFZSA-N 2 1 378.532 3.774 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001172327158 905476659 /nfs/dbraw/zinc/47/66/59/905476659.db2.gz AMCPUZYAOBJVAJ-URVUXULASA-N 2 1 389.584 3.731 20 0 GHADMP CC(C)COCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172472326 905552998 /nfs/dbraw/zinc/55/29/98/905552998.db2.gz NXCFXKLVECTAAQ-LGKPFJOYSA-N 2 1 388.600 3.509 20 0 GHADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172472326 905553009 /nfs/dbraw/zinc/55/30/09/905553009.db2.gz NXCFXKLVECTAAQ-LGKPFJOYSA-N 2 1 388.600 3.509 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001172472326 905553017 /nfs/dbraw/zinc/55/30/17/905553017.db2.gz NXCFXKLVECTAAQ-LGKPFJOYSA-N 2 1 388.600 3.509 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001172472326 905553030 /nfs/dbraw/zinc/55/30/30/905553030.db2.gz NXCFXKLVECTAAQ-LGKPFJOYSA-N 2 1 388.600 3.509 20 0 GHADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172536144 905639927 /nfs/dbraw/zinc/63/99/27/905639927.db2.gz LZDJDFXHTJDRJR-FUDKSRODSA-N 2 1 383.580 3.734 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172638464 905700398 /nfs/dbraw/zinc/70/03/98/905700398.db2.gz XKGRWMUWVPAMGU-LPHOPBHVSA-N 2 1 398.469 3.991 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172638465 905700681 /nfs/dbraw/zinc/70/06/81/905700681.db2.gz XKGRWMUWVPAMGU-QFBILLFUSA-N 2 1 398.469 3.991 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C1)CO2 ZINC001173166835 906223464 /nfs/dbraw/zinc/22/34/64/906223464.db2.gz PEUMTUCKDOVIEO-FSSWDIPSSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C1)CO2 ZINC001173166835 906223478 /nfs/dbraw/zinc/22/34/78/906223478.db2.gz PEUMTUCKDOVIEO-FSSWDIPSSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C1)CO2 ZINC001173166835 906223494 /nfs/dbraw/zinc/22/34/94/906223494.db2.gz PEUMTUCKDOVIEO-FSSWDIPSSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173158132 906244373 /nfs/dbraw/zinc/24/43/73/906244373.db2.gz FIRGXVIAIXZKCD-VAMGGRTRSA-N 2 1 384.495 3.910 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3cccc(N4CC[NH+](C)CC4)c3)c2C1 ZINC001212712925 906255201 /nfs/dbraw/zinc/25/52/01/906255201.db2.gz KYIRKZLFPFYVJB-UHFFFAOYSA-N 2 1 385.581 3.594 20 0 GHADMP C[NH+]1CCN(c2cccc(Nc3cc[nH+]c(CNC(=O)OC(C)(C)C)c3)c2)CC1 ZINC001212711874 906280831 /nfs/dbraw/zinc/28/08/31/906280831.db2.gz XPEAYVDVQJPOAC-UHFFFAOYSA-N 2 1 397.523 3.602 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccc(CC)cc3)CC2)C1 ZINC001173239787 906351482 /nfs/dbraw/zinc/35/14/82/906351482.db2.gz JXZKDQYKVBHZMQ-KNQAVFIVSA-N 2 1 386.580 3.920 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccc(CC)cc3)CC2)C1 ZINC001173239787 906351493 /nfs/dbraw/zinc/35/14/93/906351493.db2.gz JXZKDQYKVBHZMQ-KNQAVFIVSA-N 2 1 386.580 3.920 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H](C)Cc3ccc(CC)cc3)CC2)CC1 ZINC001173240491 906354207 /nfs/dbraw/zinc/35/42/07/906354207.db2.gz PHHOISDTHLIGAQ-LJQANCHMSA-N 2 1 386.580 3.920 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000178701643 906373623 /nfs/dbraw/zinc/37/36/23/906373623.db2.gz BAXXMHRFBZLYRI-UHFFFAOYSA-N 2 1 390.531 3.986 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000178701643 906373638 /nfs/dbraw/zinc/37/36/38/906373638.db2.gz BAXXMHRFBZLYRI-UHFFFAOYSA-N 2 1 390.531 3.986 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C1CCN(CC(F)(F)F)CC1)CC2 ZINC001173670568 906607647 /nfs/dbraw/zinc/60/76/47/906607647.db2.gz XRKLLMPFWSUNLI-LJQANCHMSA-N 2 1 399.501 3.983 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173720534 906670974 /nfs/dbraw/zinc/67/09/74/906670974.db2.gz KBJHZXBQNUFYPO-HSQYWUDLSA-N 2 1 381.520 3.571 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001173732902 906674130 /nfs/dbraw/zinc/67/41/30/906674130.db2.gz ZKZRFJLXZOXGPN-UGKGYDQZSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001173732902 906674142 /nfs/dbraw/zinc/67/41/42/906674142.db2.gz ZKZRFJLXZOXGPN-UGKGYDQZSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001173732902 906674148 /nfs/dbraw/zinc/67/41/48/906674148.db2.gz ZKZRFJLXZOXGPN-UGKGYDQZSA-N 2 1 380.532 3.858 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180110291 906691828 /nfs/dbraw/zinc/69/18/28/906691828.db2.gz AUQACPKZBQXLPB-DEOSSOPVSA-N 2 1 381.564 3.792 20 0 GHADMP COc1cc(OC)cc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180140223 906698832 /nfs/dbraw/zinc/69/88/32/906698832.db2.gz PVULUVAMEKFTBL-UKKFODGLSA-N 2 1 396.531 3.522 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000180995007 906893162 /nfs/dbraw/zinc/89/31/62/906893162.db2.gz WJSHOAZATUJQRD-MRXNPFEDSA-N 2 1 382.476 3.592 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000180995007 906893174 /nfs/dbraw/zinc/89/31/74/906893174.db2.gz WJSHOAZATUJQRD-MRXNPFEDSA-N 2 1 382.476 3.592 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ncc(Br)cc2Cl)c1 ZINC000631044902 907575777 /nfs/dbraw/zinc/57/57/77/907575777.db2.gz QEWUUNGDCQNPRI-UHFFFAOYSA-N 2 1 398.732 3.728 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c2ccccc2C1 ZINC000631664116 907796345 /nfs/dbraw/zinc/79/63/45/907796345.db2.gz LXXGGSXZSNKRND-NIDLKEISSA-N 2 1 391.559 3.838 20 0 GHADMP C[NH+]1CCN(C(=O)c2cccc(Nc3ccc(C[NH+]4CCCCC4)cc3)c2)CC1 ZINC001175924799 907831518 /nfs/dbraw/zinc/83/15/18/907831518.db2.gz DKOUGMCHQWJOSP-UHFFFAOYSA-N 2 1 392.547 3.804 20 0 GHADMP C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000186658435 907962998 /nfs/dbraw/zinc/96/29/98/907962998.db2.gz FPSLSNOXFZSQPJ-HXOBKFHXSA-N 2 1 396.510 3.940 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000632951331 908165249 /nfs/dbraw/zinc/16/52/49/908165249.db2.gz SWGJDQPUXOVUAC-GHTZIAJQSA-N 2 1 380.536 3.686 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2CC(F)(F)F)c2cccs2)CC1 ZINC001177104677 908409793 /nfs/dbraw/zinc/40/97/93/908409793.db2.gz ZBPFBFQAQWZKDD-GOSISDBHSA-N 2 1 397.510 3.931 20 0 GHADMP CCCSc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000633784563 908486020 /nfs/dbraw/zinc/48/60/20/908486020.db2.gz DINBTPRTZCAHGG-UHFFFAOYSA-N 2 1 390.597 3.719 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cnn1C(C)(C)C ZINC000191192888 908592259 /nfs/dbraw/zinc/59/22/59/908592259.db2.gz XDOONXNJWLUFOE-SFHVURJKSA-N 2 1 383.584 3.545 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccco1 ZINC001177626731 908678187 /nfs/dbraw/zinc/67/81/87/908678187.db2.gz RCUKCQCRWFNEGI-VXKWHMMOSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccco1 ZINC001177626731 908678192 /nfs/dbraw/zinc/67/81/92/908678192.db2.gz RCUKCQCRWFNEGI-VXKWHMMOSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177626731 908678200 /nfs/dbraw/zinc/67/82/00/908678200.db2.gz RCUKCQCRWFNEGI-VXKWHMMOSA-N 2 1 395.547 3.661 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177626731 908678207 /nfs/dbraw/zinc/67/82/07/908678207.db2.gz RCUKCQCRWFNEGI-VXKWHMMOSA-N 2 1 395.547 3.661 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CC(=O)Nc3ccccc3)CC2)oc1C ZINC001177663845 908686992 /nfs/dbraw/zinc/68/69/92/908686992.db2.gz IDHNPNISRQFOCW-INIZCTEOSA-N 2 1 384.524 3.510 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(-c4ccccc4)[nH]3)CC2)oc1C ZINC001177663610 908687454 /nfs/dbraw/zinc/68/74/54/908687454.db2.gz FKHCXCYWTFHMNE-UHFFFAOYSA-N 2 1 379.508 3.683 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Br)cc3)c2)CCO1 ZINC000067976722 908748252 /nfs/dbraw/zinc/74/82/52/908748252.db2.gz SUAPIRCNOKFFDH-MRXNPFEDSA-N 2 1 389.337 3.960 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Br)cc3)c2)CCO1 ZINC000067976722 908748257 /nfs/dbraw/zinc/74/82/57/908748257.db2.gz SUAPIRCNOKFFDH-MRXNPFEDSA-N 2 1 389.337 3.960 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000193338870 908866989 /nfs/dbraw/zinc/86/69/89/908866989.db2.gz ZDCZTKYAZXWAFP-YQQQUEKLSA-N 2 1 399.560 3.648 20 0 GHADMP CC1(C)CC2(CO1)CCC([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC001178291594 908990343 /nfs/dbraw/zinc/99/03/43/908990343.db2.gz ZPEBOMROYCZAPZ-XERBYJISSA-N 2 1 386.580 3.861 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1)C1CCCCC1 ZINC000634954969 909090113 /nfs/dbraw/zinc/09/01/13/909090113.db2.gz TZUIRXJLGYJISZ-HXUWFJFHSA-N 2 1 378.582 3.508 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4nccnc4c3)CC2)cs1 ZINC000634960957 909092043 /nfs/dbraw/zinc/09/20/43/909092043.db2.gz GXERXMPNJQUEOA-UHFFFAOYSA-N 2 1 381.549 3.651 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000266795101 909304390 /nfs/dbraw/zinc/30/43/90/909304390.db2.gz MPRSXNDEAUHPKC-YXPZWWFCSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000266795101 909304406 /nfs/dbraw/zinc/30/44/06/909304406.db2.gz MPRSXNDEAUHPKC-YXPZWWFCSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000266795101 909304421 /nfs/dbraw/zinc/30/44/21/909304421.db2.gz MPRSXNDEAUHPKC-YXPZWWFCSA-N 2 1 398.595 3.696 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1C[NH+](C)C ZINC000268094692 909767754 /nfs/dbraw/zinc/76/77/54/909767754.db2.gz JPKASUIZQLXKLZ-IBGZPJMESA-N 2 1 385.577 3.794 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001180124082 909971295 /nfs/dbraw/zinc/97/12/95/909971295.db2.gz FBLCBXTVHBDLEB-LJQANCHMSA-N 2 1 397.604 3.802 20 0 GHADMP CC(C)OCc1cccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000637956528 910013021 /nfs/dbraw/zinc/01/30/21/910013021.db2.gz NCRNRJSMLYHOTJ-UHFFFAOYSA-N 2 1 395.547 3.934 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000268813753 910029865 /nfs/dbraw/zinc/02/98/65/910029865.db2.gz DZLBLHHTZPCICY-CTNGQTDRSA-N 2 1 381.568 3.580 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC000268813753 910029879 /nfs/dbraw/zinc/02/98/79/910029879.db2.gz DZLBLHHTZPCICY-CTNGQTDRSA-N 2 1 381.568 3.580 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccn(C(F)F)c2=O)CCN1Cc1ccccc1 ZINC000638065103 910044897 /nfs/dbraw/zinc/04/48/97/910044897.db2.gz QUFCRHZEZAIGLN-APWZRJJASA-N 2 1 375.463 3.728 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000638065103 910044907 /nfs/dbraw/zinc/04/49/07/910044907.db2.gz QUFCRHZEZAIGLN-APWZRJJASA-N 2 1 375.463 3.728 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000638065103 910044918 /nfs/dbraw/zinc/04/49/18/910044918.db2.gz QUFCRHZEZAIGLN-APWZRJJASA-N 2 1 375.463 3.728 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1Cc1ccccc1 ZINC000638065103 910044928 /nfs/dbraw/zinc/04/49/28/910044928.db2.gz QUFCRHZEZAIGLN-APWZRJJASA-N 2 1 375.463 3.728 20 0 GHADMP Cc1cccnc1[C@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000638114246 910056492 /nfs/dbraw/zinc/05/64/92/910056492.db2.gz UJWPBACPUYOTHQ-JOCHJYFZSA-N 2 1 394.563 3.587 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268926059 910071677 /nfs/dbraw/zinc/07/16/77/910071677.db2.gz WFIWIAHCTQMKHY-AUSIDOKSSA-N 2 1 379.548 3.574 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268926059 910071687 /nfs/dbraw/zinc/07/16/87/910071687.db2.gz WFIWIAHCTQMKHY-AUSIDOKSSA-N 2 1 379.548 3.574 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000268957210 910083110 /nfs/dbraw/zinc/08/31/10/910083110.db2.gz YZSRYKHNXYZAEZ-OAHLLOKOSA-N 2 1 396.503 3.985 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)ncn1 ZINC000268990493 910095139 /nfs/dbraw/zinc/09/51/39/910095139.db2.gz RGLXCVUPZNEMRY-XXBNENTESA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)ncn1 ZINC000268990493 910095158 /nfs/dbraw/zinc/09/51/58/910095158.db2.gz RGLXCVUPZNEMRY-XXBNENTESA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC000268990491 910095342 /nfs/dbraw/zinc/09/53/42/910095342.db2.gz RGLXCVUPZNEMRY-WMZHIEFXSA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC000268990491 910095358 /nfs/dbraw/zinc/09/53/58/910095358.db2.gz RGLXCVUPZNEMRY-WMZHIEFXSA-N 2 1 393.579 3.651 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000299665030 921561709 /nfs/dbraw/zinc/56/17/09/921561709.db2.gz NWBSACUDSYMUNZ-UHFFFAOYSA-N 2 1 394.563 3.708 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)[C@@H]2C1 ZINC000639185964 910345058 /nfs/dbraw/zinc/34/50/58/910345058.db2.gz GQZTXJCDTRQAJV-GDMUPCAJSA-N 2 1 381.564 3.591 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)[C@@H]2C1 ZINC000639185964 910345076 /nfs/dbraw/zinc/34/50/76/910345076.db2.gz GQZTXJCDTRQAJV-GDMUPCAJSA-N 2 1 381.564 3.591 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000639185943 910345640 /nfs/dbraw/zinc/34/56/40/910345640.db2.gz XBJWWYQHBSYMSB-UHFFFAOYSA-N 2 1 386.446 3.528 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639242204 910361363 /nfs/dbraw/zinc/36/13/63/910361363.db2.gz OAPLSMPROVDEDR-CZAYHTPWSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639242204 910361371 /nfs/dbraw/zinc/36/13/71/910361371.db2.gz OAPLSMPROVDEDR-CZAYHTPWSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639313449 910385141 /nfs/dbraw/zinc/38/51/41/910385141.db2.gz UEMMKSHMIOZGFP-ZEYPLWLESA-N 2 1 377.532 3.720 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639313449 910385154 /nfs/dbraw/zinc/38/51/54/910385154.db2.gz UEMMKSHMIOZGFP-ZEYPLWLESA-N 2 1 377.532 3.720 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001181140841 910568720 /nfs/dbraw/zinc/56/87/20/910568720.db2.gz UMWYMIIUFOLCRS-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001181140841 910568727 /nfs/dbraw/zinc/56/87/27/910568727.db2.gz UMWYMIIUFOLCRS-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001181140841 910568740 /nfs/dbraw/zinc/56/87/40/910568740.db2.gz UMWYMIIUFOLCRS-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[C@H](CC[NH+]1CCC(C)([NH+]2CCCC2)CC1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982104 910765209 /nfs/dbraw/zinc/76/52/09/910765209.db2.gz FXPWVXIVDJBYBE-JOCHJYFZSA-N 3 1 390.660 3.666 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001181471605 910784252 /nfs/dbraw/zinc/78/42/52/910784252.db2.gz ISBOOPAPIKTDFS-WTGUMLROSA-N 2 1 379.589 3.875 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000271430322 910902195 /nfs/dbraw/zinc/90/21/95/910902195.db2.gz DQBDKBDKACAIOI-HYBUGGRVSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000271430322 910902207 /nfs/dbraw/zinc/90/22/07/910902207.db2.gz DQBDKBDKACAIOI-HYBUGGRVSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000271430326 910902423 /nfs/dbraw/zinc/90/24/23/910902423.db2.gz DQBDKBDKACAIOI-RDPSFJRHSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000271430326 910902430 /nfs/dbraw/zinc/90/24/30/910902430.db2.gz DQBDKBDKACAIOI-RDPSFJRHSA-N 2 1 391.559 3.809 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccccc2)CC1 ZINC001182239607 911361317 /nfs/dbraw/zinc/36/13/17/911361317.db2.gz HGVRVQOWPJTPPF-HSZRJFAPSA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001182239607 911361336 /nfs/dbraw/zinc/36/13/36/911361336.db2.gz HGVRVQOWPJTPPF-HSZRJFAPSA-N 2 1 379.548 3.802 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC001182340339 911510862 /nfs/dbraw/zinc/51/08/62/911510862.db2.gz HWVBZWARZPEFNY-JOCHJYFZSA-N 2 1 379.548 3.950 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)cn1 ZINC000283982008 911710837 /nfs/dbraw/zinc/71/08/37/911710837.db2.gz GZORGARBTHGWCA-APWZRJJASA-N 2 1 399.539 3.701 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1ccc(F)cc1F ZINC000092821256 911839778 /nfs/dbraw/zinc/83/97/78/911839778.db2.gz GXAPWRGFLIBRIJ-NRFANRHFSA-N 2 1 375.463 3.632 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)CC[N@@H+]2[C@H](C)c2ccccc2)CC1 ZINC001187036530 915009938 /nfs/dbraw/zinc/00/99/38/915009938.db2.gz MLWXPBGGANHYGA-XLIONFOSSA-N 2 1 393.522 3.838 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)CC[N@H+]2[C@H](C)c2ccccc2)CC1 ZINC001187036530 915009957 /nfs/dbraw/zinc/00/99/57/915009957.db2.gz MLWXPBGGANHYGA-XLIONFOSSA-N 2 1 393.522 3.838 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975467 915457890 /nfs/dbraw/zinc/45/78/90/915457890.db2.gz ASONZECAYRUAOI-HOTGVXAUSA-N 2 1 394.441 3.967 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1c(OC(F)F)ccc3ccccc31)CCO2 ZINC000648071546 915508145 /nfs/dbraw/zinc/50/81/45/915508145.db2.gz HWBAMZHRLLJZAI-UHFFFAOYSA-N 2 1 376.447 3.738 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1c(OC(F)F)ccc3ccccc31)CCO2 ZINC000648071546 915508157 /nfs/dbraw/zinc/50/81/57/915508157.db2.gz HWBAMZHRLLJZAI-UHFFFAOYSA-N 2 1 376.447 3.738 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000648741895 915851253 /nfs/dbraw/zinc/85/12/53/915851253.db2.gz YFERKLZRLFOPIA-AZUAARDMSA-N 2 1 398.551 3.749 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)c1ccc(C2CC[NH+](C)CC2)cc1 ZINC001188313198 915881130 /nfs/dbraw/zinc/88/11/30/915881130.db2.gz LHXSLSCJMGQVGJ-UHFFFAOYSA-N 2 1 379.548 3.700 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000648807014 915888381 /nfs/dbraw/zinc/88/83/81/915888381.db2.gz JGSIUGXPEIAYKZ-HYBUGGRVSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000648807014 915888398 /nfs/dbraw/zinc/88/83/98/915888398.db2.gz JGSIUGXPEIAYKZ-HYBUGGRVSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@H+]1CC ZINC000648841073 915905316 /nfs/dbraw/zinc/90/53/16/915905316.db2.gz ZWIDVERWQPEAQN-ICSRJNTNSA-N 2 1 398.551 3.615 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000648841073 915905333 /nfs/dbraw/zinc/90/53/33/915905333.db2.gz ZWIDVERWQPEAQN-ICSRJNTNSA-N 2 1 398.551 3.615 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)C1([NH3+])Cc2ccccc2C1)C1CCCCC1 ZINC000649305185 916096702 /nfs/dbraw/zinc/09/67/02/916096702.db2.gz HWCYEHQLDKRTDE-UHFFFAOYSA-N 2 1 391.559 3.564 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)cc2)C1 ZINC000649345844 916107383 /nfs/dbraw/zinc/10/73/83/916107383.db2.gz PLANYBVNSKVVKJ-FOIQADDNSA-N 2 1 387.911 3.699 20 0 GHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000775206991 916285042 /nfs/dbraw/zinc/28/50/42/916285042.db2.gz ZSKAYKVHGZPCQP-SFHVURJKSA-N 2 1 389.540 3.880 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1OCC(C)C ZINC000650705395 917241986 /nfs/dbraw/zinc/24/19/86/917241986.db2.gz GBUSUTTWPRODOX-VWPQPMDRSA-N 2 1 390.568 3.838 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1OC ZINC000650706760 917243364 /nfs/dbraw/zinc/24/33/64/917243364.db2.gz RVBCXTDUYAMYCL-ROPHOZQPSA-N 2 1 376.541 3.591 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2Br)C1 ZINC000650724106 917250501 /nfs/dbraw/zinc/25/05/01/917250501.db2.gz YIEJADYNHYZBQE-DJIMGWMZSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2Br)C1 ZINC000650724106 917250509 /nfs/dbraw/zinc/25/05/09/917250509.db2.gz YIEJADYNHYZBQE-DJIMGWMZSA-N 2 1 387.749 3.963 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCCc1ccccc1 ZINC001190373590 917309078 /nfs/dbraw/zinc/30/90/78/917309078.db2.gz BFISHESZURFVGF-QPPBQGQZSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCCc1ccccc1 ZINC001190373590 917309089 /nfs/dbraw/zinc/30/90/89/917309089.db2.gz BFISHESZURFVGF-QPPBQGQZSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCCc1ccccc1 ZINC001190373590 917309101 /nfs/dbraw/zinc/30/91/01/917309101.db2.gz BFISHESZURFVGF-QPPBQGQZSA-N 2 1 393.575 3.720 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cn2)CC1 ZINC000295776017 917483674 /nfs/dbraw/zinc/48/36/74/917483674.db2.gz APCNECLKLHETRQ-FQEVSTJZSA-N 2 1 382.552 3.942 20 0 GHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001190828573 917586232 /nfs/dbraw/zinc/58/62/32/917586232.db2.gz XAKZUWUBLFNKAB-PMACEKPBSA-N 2 1 394.987 3.976 20 0 GHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001190828573 917586240 /nfs/dbraw/zinc/58/62/40/917586240.db2.gz XAKZUWUBLFNKAB-PMACEKPBSA-N 2 1 394.987 3.976 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000652361533 917883119 /nfs/dbraw/zinc/88/31/19/917883119.db2.gz JTNQOLKKTORTHR-YMPZKCBVSA-N 2 1 393.531 3.800 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000652362488 917883387 /nfs/dbraw/zinc/88/33/87/917883387.db2.gz IKJIBQKNNCEQDR-KZNAEPCWSA-N 2 1 375.900 3.856 20 0 GHADMP COc1c(Cl)cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205570997 918218228 /nfs/dbraw/zinc/21/82/28/918218228.db2.gz ROLLIZDYGKIXFJ-OAHLLOKOSA-N 2 1 379.701 3.764 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc1Br ZINC001205570997 918218247 /nfs/dbraw/zinc/21/82/47/918218247.db2.gz ROLLIZDYGKIXFJ-OAHLLOKOSA-N 2 1 379.701 3.764 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)[nH+]c1 ZINC000653938443 918607875 /nfs/dbraw/zinc/60/78/75/918607875.db2.gz IVAXVUHNLKTNFF-OAQYLSRUSA-N 2 1 378.520 3.794 20 0 GHADMP COC[C@]1(C)CC[NH+](Cc2cc(C[N@@H+]3CC[C@@](C)(COC)C3)ccc2F)C1 ZINC000296803612 918766073 /nfs/dbraw/zinc/76/60/73/918766073.db2.gz RBUHXXDSLPRXHX-FGZHOGPDSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@]1(C)CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@@](C)(COC)C3)c2)C1 ZINC000296803612 918766223 /nfs/dbraw/zinc/76/62/23/918766223.db2.gz RBUHXXDSLPRXHX-FGZHOGPDSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@]1(C)CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@@](C)(COC)C3)c2)C1 ZINC000296803612 918766413 /nfs/dbraw/zinc/76/64/13/918766413.db2.gz RBUHXXDSLPRXHX-FGZHOGPDSA-N 2 1 378.532 3.543 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001275869739 919036769 /nfs/dbraw/zinc/03/67/69/919036769.db2.gz WRHVFLWFQJXNMZ-ZJSXRUAMSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001275869739 919036843 /nfs/dbraw/zinc/03/68/43/919036843.db2.gz WRHVFLWFQJXNMZ-ZJSXRUAMSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001275869739 919036969 /nfs/dbraw/zinc/03/69/69/919036969.db2.gz WRHVFLWFQJXNMZ-ZJSXRUAMSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001275869739 919037067 /nfs/dbraw/zinc/03/70/67/919037067.db2.gz WRHVFLWFQJXNMZ-ZJSXRUAMSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1cc(C[N@@H+](C)C[C@H]2CCCOC2)ccc1F)C[C@H]1CCCOC1 ZINC000297378707 919280554 /nfs/dbraw/zinc/28/05/54/919280554.db2.gz DFVYNVWSPWGCPQ-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C[C@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000297378707 919280607 /nfs/dbraw/zinc/28/06/07/919280607.db2.gz DFVYNVWSPWGCPQ-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000297378707 919280648 /nfs/dbraw/zinc/28/06/48/919280648.db2.gz DFVYNVWSPWGCPQ-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@@H](COC)C3)ccc2F)C1 ZINC000297409751 919302275 /nfs/dbraw/zinc/30/22/75/919302275.db2.gz GHBLMTCWZOFFOI-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@@H](COC)C3)c2)C1 ZINC000297409751 919302293 /nfs/dbraw/zinc/30/22/93/919302293.db2.gz GHBLMTCWZOFFOI-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@@H](COC)C3)c2)C1 ZINC000297409751 919302307 /nfs/dbraw/zinc/30/23/07/919302307.db2.gz GHBLMTCWZOFFOI-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382019899 919719024 /nfs/dbraw/zinc/71/90/24/919719024.db2.gz XONNZCPLAXPAPM-MJGOQNOKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000800506138 920209557 /nfs/dbraw/zinc/20/95/57/920209557.db2.gz MAMZULMLGRJOJB-QOUXRKOWSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000800506138 920209574 /nfs/dbraw/zinc/20/95/74/920209574.db2.gz MAMZULMLGRJOJB-QOUXRKOWSA-N 2 1 391.559 3.849 20 0 GHADMP O=C(/C=C/c1ccccc1)NCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000800507215 920213756 /nfs/dbraw/zinc/21/37/56/920213756.db2.gz VUCXPELNUGPTNY-OUKQBFOZSA-N 2 1 391.559 3.503 20 0 GHADMP CCO[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@@H]1SC ZINC000298261699 920352522 /nfs/dbraw/zinc/35/25/22/920352522.db2.gz FRRDKVSIJDAKQP-NJYVYQBISA-N 2 1 377.598 3.786 20 0 GHADMP CN1c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2CCC1=O ZINC000800893783 920573179 /nfs/dbraw/zinc/57/31/79/920573179.db2.gz IMCAAKZOAIJVLR-QHCPKHFHSA-N 2 1 391.559 3.986 20 0 GHADMP CN1c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc2CCC1=O ZINC000800893783 920573206 /nfs/dbraw/zinc/57/32/06/920573206.db2.gz IMCAAKZOAIJVLR-QHCPKHFHSA-N 2 1 391.559 3.986 20 0 GHADMP Cc1oc(C(C)C)cc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367594371 922220519 /nfs/dbraw/zinc/22/05/19/922220519.db2.gz LCOWSRXQIUOSBZ-UHFFFAOYSA-N 2 1 389.584 3.980 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000367883394 922354762 /nfs/dbraw/zinc/35/47/62/922354762.db2.gz BPULNEDWUUBEHD-DEOSSOPVSA-N 2 1 377.532 3.518 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000367883394 922354769 /nfs/dbraw/zinc/35/47/69/922354769.db2.gz BPULNEDWUUBEHD-DEOSSOPVSA-N 2 1 377.532 3.518 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3COc4ccccc4C3)CC2)oc1C ZINC000902799930 922504068 /nfs/dbraw/zinc/50/40/68/922504068.db2.gz HYNAIQKQXDBDNC-DYESRHJHSA-N 2 1 383.536 3.733 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C(F)(F)F)cn1 ZINC000902994434 922696061 /nfs/dbraw/zinc/69/60/61/922696061.db2.gz OZUUZTSPRQZKAE-AWEZNQCLSA-N 2 1 382.430 3.677 20 0 GHADMP C[NH+](C)CC[C@@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cccnc1 ZINC000903376190 922971897 /nfs/dbraw/zinc/97/18/97/922971897.db2.gz AYXKBMFQVARUGB-KELGSRBJSA-N 2 1 378.564 3.717 20 0 GHADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1OCc1ccncc1 ZINC000369204358 923202718 /nfs/dbraw/zinc/20/27/18/923202718.db2.gz OONDEBOUWNDUQU-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP FC(F)(F)c1cc(Br)ccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955687 923433245 /nfs/dbraw/zinc/43/32/45/923433245.db2.gz AGXWNEXKPFRMDR-SNVBAGLBSA-N 2 1 387.190 3.802 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)o1 ZINC000903955978 923435383 /nfs/dbraw/zinc/43/53/83/923435383.db2.gz DLXQSOLIFFEFEB-KRWDZBQOSA-N 2 1 386.446 3.775 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OCc1ccccc1 ZINC000903956353 923435476 /nfs/dbraw/zinc/43/54/76/923435476.db2.gz JWTIOWMVRHHDGY-SFHVURJKSA-N 2 1 376.447 3.609 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000677128965 924251812 /nfs/dbraw/zinc/25/18/12/924251812.db2.gz GGZPLKDNZGMSLH-TZIWHRDSSA-N 2 1 375.520 3.658 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370770021 924290428 /nfs/dbraw/zinc/29/04/28/924290428.db2.gz BNXFODGMAKJNRN-YLJYHZDGSA-N 2 1 397.485 3.594 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000371185623 924464739 /nfs/dbraw/zinc/46/47/39/924464739.db2.gz SYNWULXAIRCQHL-AQNXPRMDSA-N 2 1 389.540 3.717 20 0 GHADMP CCC[N@H+](Cc1cn2cccc(F)c2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000678266233 924696536 /nfs/dbraw/zinc/69/65/36/924696536.db2.gz DPGDSPQUOSVHCV-UHFFFAOYSA-N 2 1 396.514 3.761 20 0 GHADMP CCC[N@@H+](Cc1cn2cccc(F)c2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000678266233 924696540 /nfs/dbraw/zinc/69/65/40/924696540.db2.gz DPGDSPQUOSVHCV-UHFFFAOYSA-N 2 1 396.514 3.761 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000678322314 924724278 /nfs/dbraw/zinc/72/42/78/924724278.db2.gz HBSCGQIGWOKUCR-YADHBBJMSA-N 2 1 384.568 3.709 20 0 GHADMP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000678342699 924734569 /nfs/dbraw/zinc/73/45/69/924734569.db2.gz DFMZBACZQIOJNC-QZTJIDSGSA-N 2 1 378.907 3.844 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(-n3ccnn3)cc1)CC2 ZINC001137362698 925015559 /nfs/dbraw/zinc/01/55/59/925015559.db2.gz UJMNNLALMRYSPH-JOCHJYFZSA-N 2 1 391.519 3.737 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679333559 925098467 /nfs/dbraw/zinc/09/84/67/925098467.db2.gz PNMAZYVBDYZKNS-ZWKOTPCHSA-N 2 1 378.314 3.854 20 0 GHADMP Cc1ccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(N2CCCC2)[nH+]1 ZINC000679698160 925234590 /nfs/dbraw/zinc/23/45/90/925234590.db2.gz GFRQXPAZZLUTQC-UHFFFAOYSA-N 2 1 399.583 3.587 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000680087368 925355656 /nfs/dbraw/zinc/35/56/56/925355656.db2.gz ZQQFTFICQDIEHB-KMDXXIMOSA-N 2 1 391.559 3.779 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000680269080 925416161 /nfs/dbraw/zinc/41/61/61/925416161.db2.gz KLIMYEPURXSECB-YCAMKHIRSA-N 2 1 391.559 3.706 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000680269080 925416166 /nfs/dbraw/zinc/41/61/66/925416166.db2.gz KLIMYEPURXSECB-YCAMKHIRSA-N 2 1 391.559 3.706 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000680271014 925417600 /nfs/dbraw/zinc/41/76/00/925417600.db2.gz UFNRTEUGHCGKDM-TZRRMPRUSA-N 2 1 391.559 3.779 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC2(CCC[NH+]2C)CC1 ZINC000680647174 925552234 /nfs/dbraw/zinc/55/22/34/925552234.db2.gz DYWUCGVQYGDJIW-FQEVSTJZSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000680647174 925552238 /nfs/dbraw/zinc/55/22/38/925552238.db2.gz DYWUCGVQYGDJIW-FQEVSTJZSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000680647174 925552251 /nfs/dbraw/zinc/55/22/51/925552251.db2.gz DYWUCGVQYGDJIW-FQEVSTJZSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000410370021 925587784 /nfs/dbraw/zinc/58/77/84/925587784.db2.gz ZMULDGPTWNEJCX-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000410369575 925588782 /nfs/dbraw/zinc/58/87/82/925588782.db2.gz RKTYBQIECAUCED-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000410369575 925588785 /nfs/dbraw/zinc/58/87/85/925588785.db2.gz RKTYBQIECAUCED-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000410369575 925588787 /nfs/dbraw/zinc/58/87/87/925588787.db2.gz RKTYBQIECAUCED-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411271279 926266388 /nfs/dbraw/zinc/26/63/88/926266388.db2.gz QXUQENWAXPJEMT-JOCHJYFZSA-N 2 1 381.520 3.546 20 0 GHADMP O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411271279 926266393 /nfs/dbraw/zinc/26/63/93/926266393.db2.gz QXUQENWAXPJEMT-JOCHJYFZSA-N 2 1 381.520 3.546 20 0 GHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411311394 926297066 /nfs/dbraw/zinc/29/70/66/926297066.db2.gz QQQUEWVCAHMPBC-ZRCGQRJVSA-N 2 1 397.588 3.902 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411311394 926297071 /nfs/dbraw/zinc/29/70/71/926297071.db2.gz QQQUEWVCAHMPBC-ZRCGQRJVSA-N 2 1 397.588 3.902 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CCN1C ZINC000411335136 926310386 /nfs/dbraw/zinc/31/03/86/926310386.db2.gz QOCWYANCHFXDTN-SIKLNZKXSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000411335136 926310396 /nfs/dbraw/zinc/31/03/96/926310396.db2.gz QOCWYANCHFXDTN-SIKLNZKXSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000411335136 926310403 /nfs/dbraw/zinc/31/04/03/926310403.db2.gz QOCWYANCHFXDTN-SIKLNZKXSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000411335136 926310410 /nfs/dbraw/zinc/31/04/10/926310410.db2.gz QOCWYANCHFXDTN-SIKLNZKXSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC[NH+]1C ZINC000411335136 926310422 /nfs/dbraw/zinc/31/04/22/926310422.db2.gz QOCWYANCHFXDTN-SIKLNZKXSA-N 2 1 379.548 3.697 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000411331367 926316066 /nfs/dbraw/zinc/31/60/66/926316066.db2.gz MMRVOQFECVXBSE-RPWUZVMVSA-N 2 1 391.559 3.503 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411400103 926364972 /nfs/dbraw/zinc/36/49/72/926364972.db2.gz NDZDTPCCMFEISX-JOCHJYFZSA-N 2 1 396.560 3.871 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411400103 926364978 /nfs/dbraw/zinc/36/49/78/926364978.db2.gz NDZDTPCCMFEISX-JOCHJYFZSA-N 2 1 396.560 3.871 20 0 GHADMP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000827950871 926374222 /nfs/dbraw/zinc/37/42/22/926374222.db2.gz UNEQMEPEHVQALR-MISYRCLQSA-N 2 1 379.589 3.734 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390726202 926396650 /nfs/dbraw/zinc/39/66/50/926396650.db2.gz DREYFWWSRNOAEI-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390726200 926396941 /nfs/dbraw/zinc/39/69/41/926396941.db2.gz DREYFWWSRNOAEI-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393913313 926411956 /nfs/dbraw/zinc/41/19/56/926411956.db2.gz FAZIDYRRGRVZDM-SESVDKBCSA-N 2 1 387.568 3.886 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000394475404 926414377 /nfs/dbraw/zinc/41/43/77/926414377.db2.gz WRHVFIFWQLTRIM-IBGZPJMESA-N 2 1 375.557 3.586 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000411472941 926436155 /nfs/dbraw/zinc/43/61/55/926436155.db2.gz JAERSKOUNQNQTJ-MRXNPFEDSA-N 2 1 378.476 3.869 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398181508 926487254 /nfs/dbraw/zinc/48/72/54/926487254.db2.gz KCEOFWRZZFDJGI-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398181508 926487259 /nfs/dbraw/zinc/48/72/59/926487259.db2.gz KCEOFWRZZFDJGI-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H](CC[NH+]1C[C@H](N2CCCC2)C[C@H]1C)CC[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000411718136 926699075 /nfs/dbraw/zinc/69/90/75/926699075.db2.gz KKAWDWAGIOLSCO-GNADVCDUSA-N 2 1 390.660 3.520 20 0 GHADMP C[C@@H](CC[NH+]1C[C@H](N2CCCC2)C[C@@H]1C)CC[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000411718136 926699082 /nfs/dbraw/zinc/69/90/82/926699082.db2.gz KKAWDWAGIOLSCO-GNADVCDUSA-N 2 1 390.660 3.520 20 0 GHADMP C[C@@H](CC[NH+]1C[C@H](N2CCCC2)C[C@@H]1C)CC[N@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000411718136 926699088 /nfs/dbraw/zinc/69/90/88/926699088.db2.gz KKAWDWAGIOLSCO-GNADVCDUSA-N 2 1 390.660 3.520 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1F ZINC000749247060 927013685 /nfs/dbraw/zinc/01/36/85/927013685.db2.gz CTOJFWKUGUJDRE-SFHVURJKSA-N 2 1 387.474 3.877 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467290076 928922188 /nfs/dbraw/zinc/92/21/88/928922188.db2.gz HASFAWNGNGHQAR-UHFFFAOYSA-N 2 1 378.314 3.635 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467290076 928922196 /nfs/dbraw/zinc/92/21/96/928922196.db2.gz HASFAWNGNGHQAR-UHFFFAOYSA-N 2 1 378.314 3.635 20 0 GHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000467378035 929017292 /nfs/dbraw/zinc/01/72/92/929017292.db2.gz SKFSQVDXNOAGAA-UTKZUKDTSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000467378035 929017301 /nfs/dbraw/zinc/01/73/01/929017301.db2.gz SKFSQVDXNOAGAA-UTKZUKDTSA-N 2 1 392.465 3.863 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000753096234 929202966 /nfs/dbraw/zinc/20/29/66/929202966.db2.gz DIGLLEPFBWRGJN-XPWALMASSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000753543769 929403090 /nfs/dbraw/zinc/40/30/90/929403090.db2.gz FDURDMOEMJPJET-FXAWDEMLSA-N 2 1 399.539 3.701 20 0 GHADMP C[C@H]1C[C@H](Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)C[N@H+]1Cc1ccccc1 ZINC000753584808 929428321 /nfs/dbraw/zinc/42/83/21/929428321.db2.gz ALTBJPDBRQBMII-UGKGYDQZSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@H]1C[C@H](Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)C[NH+]1Cc1ccccc1 ZINC000753584808 929428332 /nfs/dbraw/zinc/42/83/32/929428332.db2.gz ALTBJPDBRQBMII-UGKGYDQZSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@H]1C[C@H](Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)C[NH+]1Cc1ccccc1 ZINC000753584808 929428341 /nfs/dbraw/zinc/42/83/41/929428341.db2.gz ALTBJPDBRQBMII-UGKGYDQZSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccnn1-c1ccccc1 ZINC000545980858 929742964 /nfs/dbraw/zinc/74/29/64/929742964.db2.gz LMTXDKXSHZHULH-RXVVDRJESA-N 2 1 395.576 3.573 20 0 GHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000546051478 929806194 /nfs/dbraw/zinc/80/61/94/929806194.db2.gz PKFGUQGHAKETNR-UHFFFAOYSA-N 2 1 380.540 3.605 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1CCCCCC1 ZINC000469531984 929970973 /nfs/dbraw/zinc/97/09/73/929970973.db2.gz YFNZNKDFYWMGTR-APWZRJJASA-N 2 1 397.485 3.660 20 0 GHADMP CCCOc1c(Br)cc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OC ZINC000469988100 930296573 /nfs/dbraw/zinc/29/65/73/930296573.db2.gz AOKDGJBCNBEIRK-UHFFFAOYSA-N 2 1 385.346 3.678 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2cc(Br)c(OCC)c(OC)c2)CC1 ZINC000470002641 930308998 /nfs/dbraw/zinc/30/89/98/930308998.db2.gz KWKFQMYTTBUOPU-UHFFFAOYSA-N 2 1 385.346 3.678 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000470133703 930397333 /nfs/dbraw/zinc/39/73/33/930397333.db2.gz NMQWXONFMCBNAO-LVVCFHABSA-N 2 1 392.543 3.618 20 0 GHADMP CC(C)[NH+](CCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000470223130 930464629 /nfs/dbraw/zinc/46/46/29/930464629.db2.gz LKHKDNFDWGYPKM-WOJBJXKFSA-N 2 1 389.584 3.535 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000759763187 930480674 /nfs/dbraw/zinc/48/06/74/930480674.db2.gz DTOFDSFLUHOMIQ-FQEVSTJZSA-N 2 1 382.552 3.888 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000759763187 930480677 /nfs/dbraw/zinc/48/06/77/930480677.db2.gz DTOFDSFLUHOMIQ-FQEVSTJZSA-N 2 1 382.552 3.888 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000780877978 930625133 /nfs/dbraw/zinc/62/51/33/930625133.db2.gz LLMRGVYLLHHCBC-RXVVDRJESA-N 2 1 381.520 3.908 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(-c2ccccc2)c1 ZINC000781922762 931031416 /nfs/dbraw/zinc/03/14/16/931031416.db2.gz KROIBYXYCAQHRG-DVECYGJZSA-N 2 1 390.531 3.680 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000693672560 931200595 /nfs/dbraw/zinc/20/05/95/931200595.db2.gz QQIKTZOIJDXPOF-QRVBRYPASA-N 2 1 382.470 3.988 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@H+](CCc4ccccc4)C3)CC2)[nH+]c1C ZINC000924321851 931324062 /nfs/dbraw/zinc/32/40/62/931324062.db2.gz XRTRXVAKEYKIEZ-QFIPXVFZSA-N 2 1 394.563 3.687 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)[nH+]c1C ZINC000924321851 931324068 /nfs/dbraw/zinc/32/40/68/931324068.db2.gz XRTRXVAKEYKIEZ-QFIPXVFZSA-N 2 1 394.563 3.687 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(-c4ccccc4)no3)cn2)CC1 ZINC000924690476 931476964 /nfs/dbraw/zinc/47/69/64/931476964.db2.gz RCSGIPMUBKFEDW-SFHVURJKSA-N 2 1 391.519 3.729 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]3C)CC2)oc1C ZINC000925037018 931620403 /nfs/dbraw/zinc/62/04/03/931620403.db2.gz GRYNCVKEGUJXBC-CVDCTZTESA-N 2 1 396.579 3.756 20 0 GHADMP O[C@@H](C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)COc1cccc2ccccc21 ZINC000557784768 931687005 /nfs/dbraw/zinc/68/70/05/931687005.db2.gz VGFGKJMRIKFAGU-QHCPKHFHSA-N 2 1 390.527 3.618 20 0 GHADMP O[C@@H](C[NH2+]CCC[N@H+]1CCc2ccccc2C1)COc1cccc2ccccc21 ZINC000557784768 931687011 /nfs/dbraw/zinc/68/70/11/931687011.db2.gz VGFGKJMRIKFAGU-QHCPKHFHSA-N 2 1 390.527 3.618 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000557805403 931696407 /nfs/dbraw/zinc/69/64/07/931696407.db2.gz DLBUJFCGKPYDDY-KSSFIOAISA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@@H](C)C1 ZINC000557805403 931696409 /nfs/dbraw/zinc/69/64/09/931696409.db2.gz DLBUJFCGKPYDDY-KSSFIOAISA-N 2 1 387.337 3.815 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000557962875 931776724 /nfs/dbraw/zinc/77/67/24/931776724.db2.gz QGWGCPLSENKWOM-VJBMBRPKSA-N 2 1 383.580 3.586 20 0 GHADMP C[C@H](NC1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1)c1ccccc1 ZINC000925518739 931809165 /nfs/dbraw/zinc/80/91/65/931809165.db2.gz ZNLXDZZANPWNES-AJSBUHFISA-N 2 1 385.596 3.644 20 0 GHADMP CC(C)([NH3+])CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000925742043 931888623 /nfs/dbraw/zinc/88/86/23/931888623.db2.gz OHOAOVWPQBRULO-SFHVURJKSA-N 2 1 380.941 3.550 20 0 GHADMP Fc1ccc([C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2cccnc2)cc1 ZINC000925812843 931911068 /nfs/dbraw/zinc/91/10/68/931911068.db2.gz CTKJDZNQLRRHJR-DEOSSOPVSA-N 2 1 390.506 3.505 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000796762452 932058277 /nfs/dbraw/zinc/05/82/77/932058277.db2.gz NWVFFNRBCIDNRR-FOJYNEPKSA-N 2 1 385.596 3.663 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000796762452 932058284 /nfs/dbraw/zinc/05/82/84/932058284.db2.gz NWVFFNRBCIDNRR-FOJYNEPKSA-N 3 1 385.596 3.663 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000796762452 932058293 /nfs/dbraw/zinc/05/82/93/932058293.db2.gz NWVFFNRBCIDNRR-FOJYNEPKSA-N 3 1 385.596 3.663 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000558567525 932078735 /nfs/dbraw/zinc/07/87/35/932078735.db2.gz VSBUOIIQMMEOOO-GJPUVDBCSA-N 2 1 393.522 3.792 20 0 GHADMP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926685450 932272060 /nfs/dbraw/zinc/27/20/60/932272060.db2.gz GVWXLRXEDIMCTG-KDFOVFFZSA-N 2 1 386.580 3.728 20 0 GHADMP Cc1cccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccn2)c1 ZINC000926691685 932274062 /nfs/dbraw/zinc/27/40/62/932274062.db2.gz URYBYNFQYGCUGK-NOZRDPDXSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1cccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccn2)c1 ZINC000926691685 932274068 /nfs/dbraw/zinc/27/40/68/932274068.db2.gz URYBYNFQYGCUGK-NOZRDPDXSA-N 2 1 387.527 3.836 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000927127063 932425535 /nfs/dbraw/zinc/42/55/35/932425535.db2.gz QIITXFPKGIETFG-QUZFRVLNSA-N 2 1 387.568 3.684 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC[N@H+]1C ZINC000927127063 932425537 /nfs/dbraw/zinc/42/55/37/932425537.db2.gz QIITXFPKGIETFG-QUZFRVLNSA-N 2 1 387.568 3.684 20 0 GHADMP C[C@]1(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498512 932673480 /nfs/dbraw/zinc/67/34/80/932673480.db2.gz VCNQZEXJMKIOIN-JOCHJYFZSA-N 2 1 395.938 3.923 20 0 GHADMP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798935182 932823003 /nfs/dbraw/zinc/82/30/03/932823003.db2.gz NBTGDTCOHMJEJM-CYFREDJKSA-N 2 1 395.547 3.914 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000560183226 933117996 /nfs/dbraw/zinc/11/79/96/933117996.db2.gz RKBHUTLLNCVISO-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(C[NH+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000560183226 933118002 /nfs/dbraw/zinc/11/80/02/933118002.db2.gz RKBHUTLLNCVISO-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(C[NH+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000560183226 933118006 /nfs/dbraw/zinc/11/80/06/933118006.db2.gz RKBHUTLLNCVISO-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001115914368 933243046 /nfs/dbraw/zinc/24/30/46/933243046.db2.gz ASAHMJFDRWJXMI-VXKWHMMOSA-N 2 1 387.568 3.603 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)[C@@H](C)C1 ZINC000560524556 933311513 /nfs/dbraw/zinc/31/15/13/933311513.db2.gz FYUDJRMQUCCEQY-HQRMLTQVSA-N 2 1 378.557 3.800 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066818 933316388 /nfs/dbraw/zinc/31/63/88/933316388.db2.gz VBAPZRBQJVTPLD-OALUTQOASA-N 2 1 397.485 3.660 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066818 933316404 /nfs/dbraw/zinc/31/64/04/933316404.db2.gz VBAPZRBQJVTPLD-OALUTQOASA-N 2 1 397.485 3.660 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001116066818 933316416 /nfs/dbraw/zinc/31/64/16/933316416.db2.gz VBAPZRBQJVTPLD-OALUTQOASA-N 2 1 397.485 3.660 20 0 GHADMP NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000560537905 933323782 /nfs/dbraw/zinc/32/37/82/933323782.db2.gz VBPKXSRGCFRDGI-KMDXXIMOSA-N 2 1 391.559 3.608 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001116113840 933341784 /nfs/dbraw/zinc/34/17/84/933341784.db2.gz VGKIAKHKUONKAG-ZHHKINOHSA-N 2 1 386.584 3.554 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)c2)CC1 ZINC001116373365 933515814 /nfs/dbraw/zinc/51/58/14/933515814.db2.gz CGKBWJHNDTWRIG-ZCYQVOJMSA-N 2 1 393.575 3.692 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000561270180 934005595 /nfs/dbraw/zinc/00/55/95/934005595.db2.gz QQVJTJUKWWIUQD-CVDCTZTESA-N 2 1 379.548 3.574 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001118506862 934183172 /nfs/dbraw/zinc/18/31/72/934183172.db2.gz RAXJZFDNYFOCGT-FQEVSTJZSA-N 2 1 389.503 3.722 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)[C@H](C[NH3+])CCC4)CC2)cc1 ZINC001118507154 934183239 /nfs/dbraw/zinc/18/32/39/934183239.db2.gz VVXBOFHVASFZKV-QHCPKHFHSA-N 2 1 391.559 3.722 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@@H]2C1 ZINC001120012999 934436927 /nfs/dbraw/zinc/43/69/27/934436927.db2.gz LODDEMBKHNCNMF-MXEMCNAFSA-N 2 1 398.595 3.682 20 0 GHADMP CCC(CC)(CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000562025767 934642074 /nfs/dbraw/zinc/64/20/74/934642074.db2.gz WORUQXSUBUDFGF-GOSISDBHSA-N 2 1 382.552 3.788 20 0 GHADMP CCSc1cccc(F)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000562109868 934702464 /nfs/dbraw/zinc/70/24/64/934702464.db2.gz IJPNNJXRXBVHHB-MRXNPFEDSA-N 2 1 396.576 3.818 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCCC12CC[NH2+]CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121972934 934795845 /nfs/dbraw/zinc/79/58/45/934795845.db2.gz UVDLLMZIRMMEEG-BVSLBCMMSA-N 2 1 383.580 3.573 20 0 GHADMP Fc1cc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001137889868 935848858 /nfs/dbraw/zinc/84/88/58/935848858.db2.gz SJKSPVVXZVWVQF-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP Fc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001137889868 935848861 /nfs/dbraw/zinc/84/88/61/935848861.db2.gz SJKSPVVXZVWVQF-UHFFFAOYSA-N 2 1 375.438 3.987 20 0 GHADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001841 1069328915 /nfs/dbraw/zinc/32/89/15/1069328915.db2.gz YVWZURMOYLRKHF-RPWUZVMVSA-N 2 1 377.576 3.946 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001626110688 1014751398 /nfs/dbraw/zinc/75/13/98/1014751398.db2.gz DTXZQUREJULJLY-OEMFJLHTSA-N 2 1 397.607 3.773 20 0 GHADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001626110688 1014751412 /nfs/dbraw/zinc/75/14/12/1014751412.db2.gz DTXZQUREJULJLY-OEMFJLHTSA-N 2 1 397.607 3.773 20 0 GHADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001626110688 1014751426 /nfs/dbraw/zinc/75/14/26/1014751426.db2.gz DTXZQUREJULJLY-OEMFJLHTSA-N 2 1 397.607 3.773 20 0 GHADMP COc1cc2c(cc1C[NH+]1CCC(C[N@@H+](C)Cc3ccccc3)CC1)OCO2 ZINC000544927881 1015226666 /nfs/dbraw/zinc/22/66/66/1015226666.db2.gz LBHWJTZKJRFTQS-UHFFFAOYSA-N 2 1 382.504 3.768 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000468427743 1015697060 /nfs/dbraw/zinc/69/70/60/1015697060.db2.gz IABZEUFRXVINGP-RDPSFJRHSA-N 2 1 393.575 3.803 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000545247310 1015701687 /nfs/dbraw/zinc/70/16/87/1015701687.db2.gz XXAJNMHODJPFFA-SFHVURJKSA-N 2 1 393.531 3.691 20 0 GHADMP CC(C)c1ccc(CC[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000470095669 1016722489 /nfs/dbraw/zinc/72/24/89/1016722489.db2.gz DUENZQKPAUBMBG-UHFFFAOYSA-N 2 1 379.548 3.530 20 0 GHADMP C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000470236057 1016754240 /nfs/dbraw/zinc/75/42/40/1016754240.db2.gz CLZXGZXDSNXSAN-GBXCKJPGSA-N 2 1 397.607 3.520 20 0 GHADMP Cc1ccc(C2(CC(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC[NH2+]CC2)cc1 ZINC001220919105 1032189514 /nfs/dbraw/zinc/18/95/14/1032189514.db2.gz TWKOMLLULDYTQC-OAQYLSRUSA-N 2 1 383.580 3.530 20 0 GHADMP CCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001221069299 1032265781 /nfs/dbraw/zinc/26/57/81/1032265781.db2.gz VGVBRDIJAZGUFH-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001227109628 1032273576 /nfs/dbraw/zinc/27/35/76/1032273576.db2.gz VSMNLPFMYIUBFY-VAMGGRTRSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001221134423 1032301610 /nfs/dbraw/zinc/30/16/10/1032301610.db2.gz BTWKOBVRNPNVLN-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001221134424 1032301811 /nfs/dbraw/zinc/30/18/11/1032301811.db2.gz BTWKOBVRNPNVLN-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(CC(C)C)cc2)[NH+](C)C)C1 ZINC001221445413 1032419107 /nfs/dbraw/zinc/41/91/07/1032419107.db2.gz HPKBAPNCTKUUKY-RBBKRZOGSA-N 2 1 388.600 3.519 20 0 GHADMP Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(Cl)c1 ZINC001155357285 1032516269 /nfs/dbraw/zinc/51/62/69/1032516269.db2.gz CUELMJIAXDBTGB-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP CCc1ncnc(Cl)c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155359005 1032517327 /nfs/dbraw/zinc/51/73/27/1032517327.db2.gz WVOKATGKBVCXRS-GOSISDBHSA-N 2 1 399.970 3.606 20 0 GHADMP Fc1ccc(Cl)nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155359219 1032518058 /nfs/dbraw/zinc/51/80/58/1032518058.db2.gz YZAFINPNMKCNQW-QGZVFWFLSA-N 2 1 388.918 3.788 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c2c1C ZINC001155410821 1032532904 /nfs/dbraw/zinc/53/29/04/1032532904.db2.gz NONBDOOSKUJTQV-HRAATJIYSA-N 2 1 385.581 3.991 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001204163078 1032614927 /nfs/dbraw/zinc/61/49/27/1032614927.db2.gz UHFUUHGLIYXLEN-UHFFFAOYSA-N 2 1 392.469 3.946 20 0 GHADMP CCS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000926909328 1017324081 /nfs/dbraw/zinc/32/40/81/1017324081.db2.gz OHFGJQLJZWURLY-GHTZIAJQSA-N 2 1 392.609 3.655 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000559072477 1017355447 /nfs/dbraw/zinc/35/54/47/1017355447.db2.gz JULOXMOKYFJXDF-PSWAGMNNSA-N 2 1 386.543 3.959 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000559072477 1017355456 /nfs/dbraw/zinc/35/54/56/1017355456.db2.gz JULOXMOKYFJXDF-PSWAGMNNSA-N 2 1 386.543 3.959 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000559072477 1017355480 /nfs/dbraw/zinc/35/54/80/1017355480.db2.gz JULOXMOKYFJXDF-PSWAGMNNSA-N 2 1 386.543 3.959 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)cc1 ZINC001204270549 1032713454 /nfs/dbraw/zinc/71/34/54/1032713454.db2.gz UWFKRIXMTWTEHV-QHCPKHFHSA-N 2 1 386.511 3.904 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)cc1 ZINC001204270549 1032713464 /nfs/dbraw/zinc/71/34/64/1032713464.db2.gz UWFKRIXMTWTEHV-QHCPKHFHSA-N 2 1 386.511 3.904 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+](C)C ZINC001227976730 1032722653 /nfs/dbraw/zinc/72/26/53/1032722653.db2.gz UWJNJAMNYHNDJY-CBQOVEMMSA-N 2 1 386.584 3.692 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3conc3Cc3ccccc3)cc2)CC1 ZINC000562768421 1018617314 /nfs/dbraw/zinc/61/73/14/1018617314.db2.gz PXAQMXJCZHFLGQ-UHFFFAOYSA-N 2 1 391.515 3.512 20 0 GHADMP CC(C)Cc1ccc([C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)C)cc1 ZINC001461006450 1069331929 /nfs/dbraw/zinc/33/19/29/1069331929.db2.gz GEAAQJYXINSYME-HSZRJFAPSA-N 2 1 395.595 3.914 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)s1 ZINC000564059253 1019003942 /nfs/dbraw/zinc/00/39/42/1019003942.db2.gz KROJRMXGVVETAX-PZJWPPBQSA-N 2 1 391.625 3.847 20 0 GHADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000567382322 1019287528 /nfs/dbraw/zinc/28/75/28/1019287528.db2.gz BZNHQZNAIYAZOX-UWWQBHOKSA-N 2 1 385.474 3.593 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204396013 1032820690 /nfs/dbraw/zinc/82/06/90/1032820690.db2.gz HJZRUVJLAPZQNO-PUHATCMVSA-N 2 1 395.595 3.949 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204396013 1032820694 /nfs/dbraw/zinc/82/06/94/1032820694.db2.gz HJZRUVJLAPZQNO-PUHATCMVSA-N 2 1 395.595 3.949 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204396013 1032820709 /nfs/dbraw/zinc/82/07/09/1032820709.db2.gz HJZRUVJLAPZQNO-PUHATCMVSA-N 2 1 395.595 3.949 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC001204396013 1032820728 /nfs/dbraw/zinc/82/07/28/1032820728.db2.gz HJZRUVJLAPZQNO-PUHATCMVSA-N 2 1 395.595 3.949 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631924 1019634607 /nfs/dbraw/zinc/63/46/07/1019634607.db2.gz WIGKDDNEPSVTGB-JRFVFWCSSA-N 2 1 399.623 3.910 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631924 1019634617 /nfs/dbraw/zinc/63/46/17/1019634617.db2.gz WIGKDDNEPSVTGB-JRFVFWCSSA-N 2 1 399.623 3.910 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@H](C)C1 ZINC000570631924 1019634621 /nfs/dbraw/zinc/63/46/21/1019634621.db2.gz WIGKDDNEPSVTGB-JRFVFWCSSA-N 2 1 399.623 3.910 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000574232598 1019854479 /nfs/dbraw/zinc/85/44/79/1019854479.db2.gz AAWBDEODOVHXMK-JTSKRJEESA-N 2 1 397.588 3.574 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000574232598 1019854493 /nfs/dbraw/zinc/85/44/93/1019854493.db2.gz AAWBDEODOVHXMK-JTSKRJEESA-N 2 1 397.588 3.574 20 0 GHADMP Fc1ccc(Br)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204495485 1032927286 /nfs/dbraw/zinc/92/72/86/1032927286.db2.gz AULSHXRVHZQACP-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC)c1OC ZINC000631618303 1020895611 /nfs/dbraw/zinc/89/56/11/1020895611.db2.gz SUKUHBYZUQCCTB-PZJWPPBQSA-N 2 1 384.520 3.511 20 0 GHADMP Cc1cc(C)cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001204522020 1032947383 /nfs/dbraw/zinc/94/73/83/1032947383.db2.gz GJPUPARUZDDHJF-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638678432 1021051844 /nfs/dbraw/zinc/05/18/44/1021051844.db2.gz BIPWQMLVFOEYCN-GGAORHGYSA-N 2 1 377.532 3.546 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638678432 1021051850 /nfs/dbraw/zinc/05/18/50/1021051850.db2.gz BIPWQMLVFOEYCN-GGAORHGYSA-N 2 1 377.532 3.546 20 0 GHADMP Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(N2CCCC2)[nH+]1 ZINC001156313828 1032975460 /nfs/dbraw/zinc/97/54/60/1032975460.db2.gz CUNHQSYVRUCUTL-PWRODBHTSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001156313828 1032975468 /nfs/dbraw/zinc/97/54/68/1032975468.db2.gz CUNHQSYVRUCUTL-PWRODBHTSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001156313828 1032975471 /nfs/dbraw/zinc/97/54/71/1032975471.db2.gz CUNHQSYVRUCUTL-PWRODBHTSA-N 2 1 377.536 3.708 20 0 GHADMP COC(=O)c1cnc([C@H](C)[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000903454562 1021602739 /nfs/dbraw/zinc/60/27/39/1021602739.db2.gz DAOMXTIWQITYPX-NQYYFHDYSA-N 2 1 399.560 3.881 20 0 GHADMP Clc1cccc2[nH]cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c21 ZINC001140435025 1021697881 /nfs/dbraw/zinc/69/78/81/1021697881.db2.gz HDMGPNDCMBAWEP-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)nc1 ZINC000677150405 1021801752 /nfs/dbraw/zinc/80/17/52/1021801752.db2.gz YWVQMORTEKXFMO-KRWDZBQOSA-N 2 1 386.515 3.612 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679327305 1021985986 /nfs/dbraw/zinc/98/59/86/1021985986.db2.gz HHAOPEWMOKDEAC-AKIFATBCSA-N 2 1 382.548 3.543 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000679321041 1021986502 /nfs/dbraw/zinc/98/65/02/1021986502.db2.gz QRLOFZPLRSTPMA-QUCCMNQESA-N 2 1 383.536 3.762 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC001140612814 1022072100 /nfs/dbraw/zinc/07/21/00/1022072100.db2.gz FNVUSEAGAOEREZ-UHFFFAOYSA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001140619577 1022088202 /nfs/dbraw/zinc/08/82/02/1022088202.db2.gz YCNYUHBJKQLUDJ-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001140619577 1022088218 /nfs/dbraw/zinc/08/82/18/1022088218.db2.gz YCNYUHBJKQLUDJ-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001140619577 1022088227 /nfs/dbraw/zinc/08/82/27/1022088227.db2.gz YCNYUHBJKQLUDJ-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001140619577 1022088240 /nfs/dbraw/zinc/08/82/40/1022088240.db2.gz YCNYUHBJKQLUDJ-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140654821 1022176596 /nfs/dbraw/zinc/17/65/96/1022176596.db2.gz FUWXSWBJSAYBMT-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140654821 1022176603 /nfs/dbraw/zinc/17/66/03/1022176603.db2.gz FUWXSWBJSAYBMT-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140654821 1022176607 /nfs/dbraw/zinc/17/66/07/1022176607.db2.gz FUWXSWBJSAYBMT-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc(C)c1O ZINC001140655458 1022182649 /nfs/dbraw/zinc/18/26/49/1022182649.db2.gz MIETZYBMPCUHAI-ZCYQVOJMSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc(C)c1O ZINC001140655458 1022182658 /nfs/dbraw/zinc/18/26/58/1022182658.db2.gz MIETZYBMPCUHAI-ZCYQVOJMSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc(C)c1O ZINC001140655458 1022182670 /nfs/dbraw/zinc/18/26/70/1022182670.db2.gz MIETZYBMPCUHAI-ZCYQVOJMSA-N 2 1 398.591 3.970 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC001204705867 1033036899 /nfs/dbraw/zinc/03/68/99/1033036899.db2.gz MYKHTYCQDLQBIY-QZTJIDSGSA-N 2 1 394.519 3.747 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001140803708 1022572842 /nfs/dbraw/zinc/57/28/42/1022572842.db2.gz SXLIZJJXFHTUOY-IBGZPJMESA-N 2 1 392.503 3.656 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141001597 1023143563 /nfs/dbraw/zinc/14/35/63/1023143563.db2.gz WVNFVEYGRSWIHW-XXBNENTESA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141001597 1023143569 /nfs/dbraw/zinc/14/35/69/1023143569.db2.gz WVNFVEYGRSWIHW-XXBNENTESA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141001597 1023143577 /nfs/dbraw/zinc/14/35/77/1023143577.db2.gz WVNFVEYGRSWIHW-XXBNENTESA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141001597 1023143590 /nfs/dbraw/zinc/14/35/90/1023143590.db2.gz WVNFVEYGRSWIHW-XXBNENTESA-N 2 1 397.588 3.990 20 0 GHADMP Oc1cccc2ccc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001141020970 1023235177 /nfs/dbraw/zinc/23/51/77/1023235177.db2.gz HCGVKSDAZFSLED-UHFFFAOYSA-N 2 1 388.515 3.824 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001204885464 1033145403 /nfs/dbraw/zinc/14/54/03/1033145403.db2.gz WAODVKUTHNQGIS-VMPITWQZSA-N 2 1 386.543 3.576 20 0 GHADMP CCc1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001141227350 1024204866 /nfs/dbraw/zinc/20/48/66/1024204866.db2.gz QJNLQNIVXAKLOV-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001141227350 1024204875 /nfs/dbraw/zinc/20/48/75/1024204875.db2.gz QJNLQNIVXAKLOV-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001141227350 1024204881 /nfs/dbraw/zinc/20/48/81/1024204881.db2.gz QJNLQNIVXAKLOV-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC001138138981 1024209234 /nfs/dbraw/zinc/20/92/34/1024209234.db2.gz ZPDIGYXKQVHLLQ-DEOSSOPVSA-N 2 1 395.547 3.906 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC001138138981 1024209254 /nfs/dbraw/zinc/20/92/54/1024209254.db2.gz ZPDIGYXKQVHLLQ-DEOSSOPVSA-N 2 1 395.547 3.906 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC001138138981 1024209272 /nfs/dbraw/zinc/20/92/72/1024209272.db2.gz ZPDIGYXKQVHLLQ-DEOSSOPVSA-N 2 1 395.547 3.906 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC001138138981 1024209293 /nfs/dbraw/zinc/20/92/93/1024209293.db2.gz ZPDIGYXKQVHLLQ-DEOSSOPVSA-N 2 1 395.547 3.906 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C ZINC001138145129 1024228197 /nfs/dbraw/zinc/22/81/97/1024228197.db2.gz OYXXQRBEFFHQDR-PWIZWCRZSA-N 2 1 393.522 3.727 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276727 1024529296 /nfs/dbraw/zinc/52/92/96/1024529296.db2.gz USWLEAVCLDKESL-OKILXGFUSA-N 2 1 398.498 3.941 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276727 1024529298 /nfs/dbraw/zinc/52/92/98/1024529298.db2.gz USWLEAVCLDKESL-OKILXGFUSA-N 2 1 398.498 3.941 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276727 1024529304 /nfs/dbraw/zinc/52/93/04/1024529304.db2.gz USWLEAVCLDKESL-OKILXGFUSA-N 2 1 398.498 3.941 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276727 1024529316 /nfs/dbraw/zinc/52/93/16/1024529316.db2.gz USWLEAVCLDKESL-OKILXGFUSA-N 2 1 398.498 3.941 20 0 GHADMP Cc1c2ccccc2sc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001138461691 1024889621 /nfs/dbraw/zinc/88/96/21/1024889621.db2.gz UDYXKDFRSPKAEL-MOPGFXCFSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1c2ccccc2sc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001138461691 1024889635 /nfs/dbraw/zinc/88/96/35/1024889635.db2.gz UDYXKDFRSPKAEL-MOPGFXCFSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1c2ccccc2sc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001138461691 1024889647 /nfs/dbraw/zinc/88/96/47/1024889647.db2.gz UDYXKDFRSPKAEL-MOPGFXCFSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1c2ccccc2sc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001138461691 1024889661 /nfs/dbraw/zinc/88/96/61/1024889661.db2.gz UDYXKDFRSPKAEL-MOPGFXCFSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(OC3CCOCC3)cc2)CC1 ZINC001141408235 1024919656 /nfs/dbraw/zinc/91/96/56/1024919656.db2.gz XQUDGBPBZSDJOJ-UHFFFAOYSA-N 2 1 381.520 3.687 20 0 GHADMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001138491371 1024923903 /nfs/dbraw/zinc/92/39/03/1024923903.db2.gz LYWKNXDHZKAAOE-YYWHXJBOSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001138491371 1024923905 /nfs/dbraw/zinc/92/39/05/1024923905.db2.gz LYWKNXDHZKAAOE-YYWHXJBOSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001138491371 1024923908 /nfs/dbraw/zinc/92/39/08/1024923908.db2.gz LYWKNXDHZKAAOE-YYWHXJBOSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)s1 ZINC001138491371 1024923910 /nfs/dbraw/zinc/92/39/10/1024923910.db2.gz LYWKNXDHZKAAOE-YYWHXJBOSA-N 2 1 384.593 3.942 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138545060 1024989280 /nfs/dbraw/zinc/98/92/80/1024989280.db2.gz QXFYMFALDAHZFE-IBGZPJMESA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138545060 1024989285 /nfs/dbraw/zinc/98/92/85/1024989285.db2.gz QXFYMFALDAHZFE-IBGZPJMESA-N 2 1 396.535 3.870 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606088 1025093563 /nfs/dbraw/zinc/09/35/63/1025093563.db2.gz HMLNWSWLMGXIHX-XMMPIXPASA-N 2 1 385.596 4.000 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606088 1025093575 /nfs/dbraw/zinc/09/35/75/1025093575.db2.gz HMLNWSWLMGXIHX-XMMPIXPASA-N 2 1 385.596 4.000 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606088 1025093594 /nfs/dbraw/zinc/09/35/94/1025093594.db2.gz HMLNWSWLMGXIHX-XMMPIXPASA-N 2 1 385.596 4.000 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606088 1025093603 /nfs/dbraw/zinc/09/36/03/1025093603.db2.gz HMLNWSWLMGXIHX-XMMPIXPASA-N 2 1 385.596 4.000 20 0 GHADMP [NH3+]CCCCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000831993844 1025097942 /nfs/dbraw/zinc/09/79/42/1025097942.db2.gz XXJDGDNTLQEEOC-UHFFFAOYSA-N 2 1 386.367 3.983 20 0 GHADMP CCCn1ncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1C ZINC001138635116 1025140817 /nfs/dbraw/zinc/14/08/17/1025140817.db2.gz LGVQTIHAIJTEJX-UHFFFAOYSA-N 2 1 388.581 3.530 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)cc1 ZINC001138768787 1025339060 /nfs/dbraw/zinc/33/90/60/1025339060.db2.gz BAXIEOXRQVLWEL-JOCHJYFZSA-N 2 1 391.556 3.506 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1Sc1ccccc1 ZINC000838950407 1025468100 /nfs/dbraw/zinc/46/81/00/1025468100.db2.gz NJQIYWCOIHNUTO-ZHHKINOHSA-N 2 1 390.593 3.558 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c1C ZINC001141564767 1025562991 /nfs/dbraw/zinc/56/29/91/1025562991.db2.gz LLRBUDRHRQTJAU-IAGOWNOFSA-N 2 1 376.589 3.571 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)Cc2cccc(C)c2)c1C ZINC001141564647 1025563613 /nfs/dbraw/zinc/56/36/13/1025563613.db2.gz GPXGIJKUOKYXEB-UHFFFAOYSA-N 2 1 384.568 3.644 20 0 GHADMP Clc1cnc2[nH]ccc2c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138948730 1025637351 /nfs/dbraw/zinc/63/73/51/1025637351.db2.gz LRPUSOWZXWLKFX-SJORKVTESA-N 2 1 381.911 3.517 20 0 GHADMP Clc1cnc2[nH]ccc2c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138948730 1025637362 /nfs/dbraw/zinc/63/73/62/1025637362.db2.gz LRPUSOWZXWLKFX-SJORKVTESA-N 2 1 381.911 3.517 20 0 GHADMP Clc1cnc2[nH]ccc2c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138948730 1025637367 /nfs/dbraw/zinc/63/73/67/1025637367.db2.gz LRPUSOWZXWLKFX-SJORKVTESA-N 2 1 381.911 3.517 20 0 GHADMP Clc1cnc2[nH]ccc2c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138948730 1025637378 /nfs/dbraw/zinc/63/73/78/1025637378.db2.gz LRPUSOWZXWLKFX-SJORKVTESA-N 2 1 381.911 3.517 20 0 GHADMP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000839183208 1025695808 /nfs/dbraw/zinc/69/58/08/1025695808.db2.gz UVLVGPVNIJMLGF-RBUKOAKNSA-N 2 1 385.552 3.553 20 0 GHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nn3)cc2)CC1 ZINC001461020457 1069340241 /nfs/dbraw/zinc/34/02/41/1069340241.db2.gz BBJIMFXLVXPVQV-UHFFFAOYSA-N 2 1 389.547 3.848 20 0 GHADMP CC(C)n1ccc2c1nc[nH+]c2NCCCP(CCC[NH3+])c1ccccc1 ZINC001162468718 1025759475 /nfs/dbraw/zinc/75/94/75/1025759475.db2.gz BOGGSMKTUHSDLP-UHFFFAOYSA-N 2 1 383.480 3.970 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1ccc3c(c1)[nH+]cn3[C@@H]1CCC[NH2+]CC1)C(=O)N2 ZINC001162565540 1025798272 /nfs/dbraw/zinc/79/82/72/1025798272.db2.gz IFVGIIPASVATIG-IERDGZPVSA-N 2 1 375.476 3.765 20 0 GHADMP CCCn1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001139038908 1025817855 /nfs/dbraw/zinc/81/78/55/1025817855.db2.gz MRGWGLFEWVEEII-QFIPXVFZSA-N 2 1 382.552 3.549 20 0 GHADMP Fc1cc2ncccc2cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001141627007 1025947960 /nfs/dbraw/zinc/94/79/60/1025947960.db2.gz HCZAKZDQRFHQRE-CTNGQTDRSA-N 2 1 376.479 3.723 20 0 GHADMP Fc1cc2ncccc2cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001141627007 1025947966 /nfs/dbraw/zinc/94/79/66/1025947966.db2.gz HCZAKZDQRFHQRE-CTNGQTDRSA-N 2 1 376.479 3.723 20 0 GHADMP Fc1cc2ncccc2cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001141627007 1025947971 /nfs/dbraw/zinc/94/79/71/1025947971.db2.gz HCZAKZDQRFHQRE-CTNGQTDRSA-N 2 1 376.479 3.723 20 0 GHADMP Fc1cc2ncccc2cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001141627007 1025947980 /nfs/dbraw/zinc/94/79/80/1025947980.db2.gz HCZAKZDQRFHQRE-CTNGQTDRSA-N 2 1 376.479 3.723 20 0 GHADMP CC(C)([NH3+])c1ccccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941223 1025978012 /nfs/dbraw/zinc/97/80/12/1025978012.db2.gz RVVWZIXKDCTNAO-OAQYLSRUSA-N 3 1 392.591 3.794 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cccc4c3CCCO4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941502 1025978698 /nfs/dbraw/zinc/97/86/98/1025978698.db2.gz KVNVRZQFJQHUCA-NRFANRHFSA-N 2 1 391.559 3.925 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)nc1 ZINC001163135647 1026061433 /nfs/dbraw/zinc/06/14/33/1026061433.db2.gz JBARPMGFEQBDSE-QFIPXVFZSA-N 2 1 381.568 3.565 20 0 GHADMP C[N@@H+](Cc1ccc(N2CCC(O)CC2)s1)C1CCN(Cc2ccccc2)CC1 ZINC001139288750 1026141226 /nfs/dbraw/zinc/14/12/26/1026141226.db2.gz FEZHAVLQWIALPH-UHFFFAOYSA-N 2 1 399.604 3.806 20 0 GHADMP C[N@@H+](Cc1ccc(N2CCC(O)CC2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001139288750 1026141232 /nfs/dbraw/zinc/14/12/32/1026141232.db2.gz FEZHAVLQWIALPH-UHFFFAOYSA-N 2 1 399.604 3.806 20 0 GHADMP COc1ccc2c(c1)c(CN1CC[C@]3(CC[N@@H+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297857 1026150722 /nfs/dbraw/zinc/15/07/22/1026150722.db2.gz LMUKZFAGMILPOX-QHCPKHFHSA-N 2 1 399.535 3.961 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@H]([NH3+])c2ccc(C(=O)OC)cc2)nc1 ZINC001163468218 1026206640 /nfs/dbraw/zinc/20/66/40/1026206640.db2.gz ZFVMPSTWBUGXLI-VQTJNVASSA-N 2 1 382.508 3.527 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(C)CCC[NH+](C)C)c2c1C ZINC001163597735 1026247000 /nfs/dbraw/zinc/24/70/00/1026247000.db2.gz IYUUQGHYAYQZCK-UHFFFAOYSA-N 2 1 375.586 3.682 20 0 GHADMP Cc1ccc(-c2csc3ncnc(NCC[N@@H+](C)CCC[NH+](C)C)c23)cc1 ZINC001163700295 1026288430 /nfs/dbraw/zinc/28/84/30/1026288430.db2.gz FQXUDBAPLTYZMB-UHFFFAOYSA-N 2 1 383.565 3.962 20 0 GHADMP Cc1ccc(-c2csc3ncnc(NCC[N@H+](C)CCC[NH+](C)C)c23)cc1 ZINC001163700295 1026288436 /nfs/dbraw/zinc/28/84/36/1026288436.db2.gz FQXUDBAPLTYZMB-UHFFFAOYSA-N 2 1 383.565 3.962 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)CC2)c1 ZINC001202938613 1026323357 /nfs/dbraw/zinc/32/33/57/1026323357.db2.gz HELCHUXLACCWMS-VWNXMTODSA-N 2 1 391.559 3.535 20 0 GHADMP c1cc(-c2ccc(CN3C[C@@H]4C[NH+](Cc5ccccn5)C[C@H]4C3)cn2)cs1 ZINC001139497867 1026354008 /nfs/dbraw/zinc/35/40/08/1026354008.db2.gz HHHXCLAJJCFBCU-WOJBJXKFSA-N 2 1 376.529 3.769 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(NCc3cccnc3C3CC[NH2+]CC3)c(C)c2)CC1 ZINC001163910466 1026359597 /nfs/dbraw/zinc/35/95/97/1026359597.db2.gz ZODXOBFJOIUVFF-UHFFFAOYSA-N 2 1 391.563 3.973 20 0 GHADMP F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512880 1026367060 /nfs/dbraw/zinc/36/70/60/1026367060.db2.gz JZFZVBIRQUOKHU-RJGXRXQPSA-N 2 1 379.523 3.941 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C)CC[C@H]2C[NH3+])n1 ZINC001164074709 1026402435 /nfs/dbraw/zinc/40/24/35/1026402435.db2.gz WBAYWWDEZJREFM-CJNGLKHVSA-N 2 1 375.586 3.714 20 0 GHADMP Fc1c(Cl)nccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001139661383 1026520315 /nfs/dbraw/zinc/52/03/15/1026520315.db2.gz IYMUPLXVXVQIIE-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc([C@H]2CCC[NH2+]C2)n1 ZINC001164483445 1026524089 /nfs/dbraw/zinc/52/40/89/1026524089.db2.gz BJINEWDASNNUMU-DXBBTUNJSA-N 2 1 391.563 3.575 20 0 GHADMP C[NH+]1CCN(c2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2)CC1 ZINC001164493332 1026530726 /nfs/dbraw/zinc/53/07/26/1026530726.db2.gz RUHOCNMJYCGVOL-GVXSCFBNSA-N 2 1 390.575 3.761 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cnc3cccnc3c1)CC2 ZINC001139739517 1026581294 /nfs/dbraw/zinc/58/12/94/1026581294.db2.gz SVQPFMPTIWZUSE-UHFFFAOYSA-N 2 1 387.531 3.901 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2sc(-c3ccccc3)nc2C)CC1 ZINC001139823217 1026643879 /nfs/dbraw/zinc/64/38/79/1026643879.db2.gz BTBUBBUVGAQINK-UHFFFAOYSA-N 2 1 386.609 3.968 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC001165322926 1026703683 /nfs/dbraw/zinc/70/36/83/1026703683.db2.gz GZXLQEVJPTWIAZ-NRFANRHFSA-N 2 1 393.510 3.977 20 0 GHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCCC[C@@H]3C3CC[NH2+]CC3)c12 ZINC001165324860 1026704652 /nfs/dbraw/zinc/70/46/52/1026704652.db2.gz TURWFMZNPCWZOB-OAQYLSRUSA-N 2 1 375.520 3.838 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001140025886 1026813197 /nfs/dbraw/zinc/81/31/97/1026813197.db2.gz FWHUQIXTYZRQQF-AZUAARDMSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001166241684 1026950594 /nfs/dbraw/zinc/95/05/94/1026950594.db2.gz LQCITOGTZUPWPW-UHFFFAOYSA-N 2 1 384.487 3.997 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(C)cc1O ZINC001140199087 1026972151 /nfs/dbraw/zinc/97/21/51/1026972151.db2.gz FMERZUHHBQHIAE-HXUWFJFHSA-N 2 1 384.520 3.858 20 0 GHADMP Cn1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c2cccnc21 ZINC001209745619 1027136655 /nfs/dbraw/zinc/13/66/55/1027136655.db2.gz UJJDQCCZVUNQTN-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP O=C1[C@H](C2CC2)[C@H](C2CC2)N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000840076507 1027148025 /nfs/dbraw/zinc/14/80/25/1027148025.db2.gz OEYWWZXQNMOGCQ-PKTZIBPZSA-N 2 1 393.575 3.579 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccccc4OC)CC3)C2)c1 ZINC001203431808 1027332290 /nfs/dbraw/zinc/33/22/90/1027332290.db2.gz IHYGAFBAIAUWCU-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccccc4OC)CC3)C2)c1 ZINC001203431808 1027332312 /nfs/dbraw/zinc/33/23/12/1027332312.db2.gz IHYGAFBAIAUWCU-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001461234341 1069455460 /nfs/dbraw/zinc/45/54/60/1069455460.db2.gz RVJUSAGQYWTKLT-SFHVURJKSA-N 2 1 384.520 3.757 20 0 GHADMP c1cc(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)cc(N2CC[NH2+]CC2)n1 ZINC001210270434 1027419494 /nfs/dbraw/zinc/41/94/94/1027419494.db2.gz HOAKNXSAQXCFGB-HSZRJFAPSA-N 2 1 391.563 3.578 20 0 GHADMP COc1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc(OC)c1OC ZINC001203849557 1027655330 /nfs/dbraw/zinc/65/53/30/1027655330.db2.gz OYTXLEFJLMSDCZ-UHFFFAOYSA-N 2 1 376.541 3.941 20 0 GHADMP COc1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc(OC)c1OC ZINC001203849557 1027655331 /nfs/dbraw/zinc/65/53/31/1027655331.db2.gz OYTXLEFJLMSDCZ-UHFFFAOYSA-N 2 1 376.541 3.941 20 0 GHADMP c1csc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)c1 ZINC001204012575 1027807611 /nfs/dbraw/zinc/80/76/11/1027807611.db2.gz FIDQPXKKLZIFNI-OFNKIYASSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)c1 ZINC001204012575 1027807625 /nfs/dbraw/zinc/80/76/25/1027807625.db2.gz FIDQPXKKLZIFNI-OFNKIYASSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)c1 ZINC001204012575 1027807644 /nfs/dbraw/zinc/80/76/44/1027807644.db2.gz FIDQPXKKLZIFNI-OFNKIYASSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)c1 ZINC001204012575 1027807650 /nfs/dbraw/zinc/80/76/50/1027807650.db2.gz FIDQPXKKLZIFNI-OFNKIYASSA-N 2 1 397.588 3.894 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983478 1027811832 /nfs/dbraw/zinc/81/18/32/1027811832.db2.gz KXJLUMPHWUIBDC-URXFXBBRSA-N 2 1 395.547 3.830 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983478 1027811855 /nfs/dbraw/zinc/81/18/55/1027811855.db2.gz KXJLUMPHWUIBDC-URXFXBBRSA-N 2 1 395.547 3.830 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983478 1027811874 /nfs/dbraw/zinc/81/18/74/1027811874.db2.gz KXJLUMPHWUIBDC-URXFXBBRSA-N 2 1 395.547 3.830 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983478 1027811887 /nfs/dbraw/zinc/81/18/87/1027811887.db2.gz KXJLUMPHWUIBDC-URXFXBBRSA-N 2 1 395.547 3.830 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983478 1027811903 /nfs/dbraw/zinc/81/19/03/1027811903.db2.gz KXJLUMPHWUIBDC-URXFXBBRSA-N 2 1 395.547 3.830 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052062 1027838683 /nfs/dbraw/zinc/83/86/83/1027838683.db2.gz DPBQOLALOSXORP-HMXCVIKNSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052062 1027838701 /nfs/dbraw/zinc/83/87/01/1027838701.db2.gz DPBQOLALOSXORP-HMXCVIKNSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052062 1027838716 /nfs/dbraw/zinc/83/87/16/1027838716.db2.gz DPBQOLALOSXORP-HMXCVIKNSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052062 1027838736 /nfs/dbraw/zinc/83/87/36/1027838736.db2.gz DPBQOLALOSXORP-HMXCVIKNSA-N 2 1 379.504 3.543 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052062 1027838755 /nfs/dbraw/zinc/83/87/55/1027838755.db2.gz DPBQOLALOSXORP-HMXCVIKNSA-N 2 1 379.504 3.543 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC001204052062 1027838775 /nfs/dbraw/zinc/83/87/75/1027838775.db2.gz DPBQOLALOSXORP-HMXCVIKNSA-N 2 1 379.504 3.543 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000840808247 1027848650 /nfs/dbraw/zinc/84/86/50/1027848650.db2.gz APNRVUAVYXSVHS-WMZOPIPTSA-N 2 1 390.572 3.797 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000840864186 1027900592 /nfs/dbraw/zinc/90/05/92/1027900592.db2.gz GWUNULJGGSZLEX-WMZHIEFXSA-N 2 1 395.547 3.792 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)CC[C@@H]2C1 ZINC001204135254 1027906474 /nfs/dbraw/zinc/90/64/74/1027906474.db2.gz KXONNVHFADVYPK-DNQXCXABSA-N 2 1 380.532 3.523 20 0 GHADMP C[C@@H](CC[NH2+]Cc1ccc(I)s1)[NH+]1CCCCC1 ZINC001461431696 1069547195 /nfs/dbraw/zinc/54/71/95/1069547195.db2.gz QGBJMDSNSDPHMK-LBPRGKRZSA-N 2 1 378.323 3.707 20 0 GHADMP C[C@]1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898290 1028994448 /nfs/dbraw/zinc/99/44/48/1028994448.db2.gz MCIHYHGIEFYUIZ-ISKFKSNPSA-N 2 1 394.563 3.678 20 0 GHADMP CCN(C(=O)NCc1ccc(CC[NH3+])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000841928597 1029002274 /nfs/dbraw/zinc/00/22/74/1029002274.db2.gz OXAYFBONTOCVGT-XXBNENTESA-N 2 1 394.563 3.555 20 0 GHADMP CCN(C(=O)NCc1ccc(CC[NH3+])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000841928595 1029002658 /nfs/dbraw/zinc/00/26/58/1029002658.db2.gz OXAYFBONTOCVGT-CVDCTZTESA-N 2 1 394.563 3.555 20 0 GHADMP CNc1nc(Cl)ncc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502792 1029004474 /nfs/dbraw/zinc/00/44/74/1029004474.db2.gz YCGOUTAEPQFEHC-ZWKOTPCHSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502792 1029004491 /nfs/dbraw/zinc/00/44/91/1029004491.db2.gz YCGOUTAEPQFEHC-ZWKOTPCHSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502792 1029004508 /nfs/dbraw/zinc/00/45/08/1029004508.db2.gz YCGOUTAEPQFEHC-ZWKOTPCHSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502792 1029004531 /nfs/dbraw/zinc/00/45/31/1029004531.db2.gz YCGOUTAEPQFEHC-ZWKOTPCHSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502792 1029004548 /nfs/dbraw/zinc/00/45/48/1029004548.db2.gz YCGOUTAEPQFEHC-ZWKOTPCHSA-N 2 1 385.943 3.516 20 0 GHADMP C[N@H+]1Cc2c(NC(=O)[C@@H]3CC4CC[NH+]3CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001142632829 1029186646 /nfs/dbraw/zinc/18/66/46/1029186646.db2.gz IEHCYDIJZHENKY-OFNKIYASSA-N 2 1 375.516 3.687 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3CC4CC[NH+]3CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001142632829 1029186654 /nfs/dbraw/zinc/18/66/54/1029186654.db2.gz IEHCYDIJZHENKY-OFNKIYASSA-N 2 1 375.516 3.687 20 0 GHADMP CC(C)N(C(=O)C[NH+](C)CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142953097 1029728479 /nfs/dbraw/zinc/72/84/79/1029728479.db2.gz FWCBMDXOZYOCAX-XMMPIXPASA-N 2 1 393.575 3.672 20 0 GHADMP CC(C)N(C(=O)C[NH+](C)CCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142953097 1029728485 /nfs/dbraw/zinc/72/84/85/1029728485.db2.gz FWCBMDXOZYOCAX-XMMPIXPASA-N 2 1 393.575 3.672 20 0 GHADMP CC(C)N(C(=O)C[N@H+](C)CCc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142953097 1029728492 /nfs/dbraw/zinc/72/84/92/1029728492.db2.gz FWCBMDXOZYOCAX-XMMPIXPASA-N 2 1 393.575 3.672 20 0 GHADMP CC(C)N(C(=O)C[N@@H+](C)CCc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142953097 1029728499 /nfs/dbraw/zinc/72/84/99/1029728499.db2.gz FWCBMDXOZYOCAX-XMMPIXPASA-N 2 1 393.575 3.672 20 0 GHADMP COc1cc(C)cc(OC)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001143142155 1029866338 /nfs/dbraw/zinc/86/63/38/1029866338.db2.gz NUMUROQLSGRDOS-UHFFFAOYSA-N 2 1 395.547 3.895 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC001461586190 1069624053 /nfs/dbraw/zinc/62/40/53/1069624053.db2.gz PZHKBSDWKLGAEN-DENIHFKCSA-N 2 1 388.939 3.975 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC001461586190 1069624055 /nfs/dbraw/zinc/62/40/55/1069624055.db2.gz PZHKBSDWKLGAEN-DENIHFKCSA-N 2 1 388.939 3.975 20 0 GHADMP c1sc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195271 1029901365 /nfs/dbraw/zinc/90/13/65/1029901365.db2.gz XXKDRKAKUINQHY-MOPGFXCFSA-N 2 1 384.545 3.863 20 0 GHADMP c1sc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195271 1029901370 /nfs/dbraw/zinc/90/13/70/1029901370.db2.gz XXKDRKAKUINQHY-MOPGFXCFSA-N 2 1 384.545 3.863 20 0 GHADMP c1sc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195271 1029901377 /nfs/dbraw/zinc/90/13/77/1029901377.db2.gz XXKDRKAKUINQHY-MOPGFXCFSA-N 2 1 384.545 3.863 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CCCC1)c1ccccc1 ZINC001221976209 1029914905 /nfs/dbraw/zinc/91/49/05/1029914905.db2.gz RMQZWMZHEXDLAO-IBGZPJMESA-N 2 1 386.584 3.681 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CCCc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC001222216021 1030010760 /nfs/dbraw/zinc/01/07/60/1030010760.db2.gz SWJIFIYVOWOUBQ-SFHVURJKSA-N 2 1 399.362 3.933 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1cc(I)ccc1Cl)CC2 ZINC001222216202 1030011944 /nfs/dbraw/zinc/01/19/44/1030011944.db2.gz ZKPVRSICPZGAHW-UHFFFAOYSA-N 2 1 390.696 3.648 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccc(Oc3ccccc3)cc1)CC[NH2+]CC2 ZINC001222221533 1030015477 /nfs/dbraw/zinc/01/54/77/1030015477.db2.gz NRQNERBBXWSVCY-JOCHJYFZSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(Oc3ccccc3)cc1)CC[NH2+]CC2 ZINC001222221533 1030015494 /nfs/dbraw/zinc/01/54/94/1030015494.db2.gz NRQNERBBXWSVCY-JOCHJYFZSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cc(C)c(OC(C)C)c(C)c1)CC[NH2+]CC2 ZINC001222230614 1030023016 /nfs/dbraw/zinc/02/30/16/1030023016.db2.gz BMGSASBHJDUSAS-FQEVSTJZSA-N 2 1 388.552 3.598 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(C)c(OC(C)C)c(C)c1)CC[NH2+]CC2 ZINC001222230614 1030023029 /nfs/dbraw/zinc/02/30/29/1030023029.db2.gz BMGSASBHJDUSAS-FQEVSTJZSA-N 2 1 388.552 3.598 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(C)cnc1-c1ccccc1)CC[NH2+]CC2 ZINC001222231584 1030023063 /nfs/dbraw/zinc/02/30/63/1030023063.db2.gz NTEPFAHVKJBXGG-NRFANRHFSA-N 2 1 393.531 3.564 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cnc(-c3ccccc3)c(C)c1)CC[NH2+]CC2 ZINC001222232945 1030026155 /nfs/dbraw/zinc/02/61/55/1030026155.db2.gz ZRSUMJHSHCTAHC-OAQYLSRUSA-N 2 1 393.531 3.564 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cnc(-c3ccccc3)c(C)c1)CC[NH2+]CC2 ZINC001222232945 1030026175 /nfs/dbraw/zinc/02/61/75/1030026175.db2.gz ZRSUMJHSHCTAHC-OAQYLSRUSA-N 2 1 393.531 3.564 20 0 GHADMP Cc1ccc(I)c(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222320587 1030069780 /nfs/dbraw/zinc/06/97/80/1030069780.db2.gz KTGHXHAHRNRDAS-QGZVFWFLSA-N 2 1 384.305 3.708 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)c1 ZINC001222320587 1030069795 /nfs/dbraw/zinc/06/97/95/1030069795.db2.gz KTGHXHAHRNRDAS-QGZVFWFLSA-N 2 1 384.305 3.708 20 0 GHADMP c1nn(CC[NH+]2CCCC2)cc1-c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001222456459 1030141981 /nfs/dbraw/zinc/14/19/81/1030141981.db2.gz POLYNEUGIGKMNS-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001222496384 1030167590 /nfs/dbraw/zinc/16/75/90/1030167590.db2.gz QISVWZCRUKJEOJ-FGZHOGPDSA-N 2 1 388.600 3.981 20 0 GHADMP c1nc2ccccn2c1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222573722 1030205889 /nfs/dbraw/zinc/20/58/89/1030205889.db2.gz CEDJPEGZBYAGSZ-OAQYLSRUSA-N 2 1 390.531 3.638 20 0 GHADMP c1nc2ccccn2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222573722 1030205899 /nfs/dbraw/zinc/20/58/99/1030205899.db2.gz CEDJPEGZBYAGSZ-OAQYLSRUSA-N 2 1 390.531 3.638 20 0 GHADMP c1cn2cc(C[N@@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccc2n1 ZINC001222584488 1030210756 /nfs/dbraw/zinc/21/07/56/1030210756.db2.gz SJGMPUOYYOHGMK-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1cn2cc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccc2n1 ZINC001222584488 1030210769 /nfs/dbraw/zinc/21/07/69/1030210769.db2.gz SJGMPUOYYOHGMK-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1[nH+]c(CN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c2ccccn12 ZINC001222583348 1030211024 /nfs/dbraw/zinc/21/10/24/1030211024.db2.gz NFFQDWHKKYUDDC-NRFANRHFSA-N 2 1 390.531 3.638 20 0 GHADMP FC(F)(F)c1cnc2[nH]cc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2c1 ZINC001222601943 1030226660 /nfs/dbraw/zinc/22/66/60/1030226660.db2.gz DUHWLCOMYBESBD-GOSISDBHSA-N 2 1 386.421 3.771 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)c1 ZINC001461634906 1069650655 /nfs/dbraw/zinc/65/06/55/1069650655.db2.gz SAACTPLUOXULQI-PKTZIBPZSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC001461634906 1069650662 /nfs/dbraw/zinc/65/06/62/1069650662.db2.gz SAACTPLUOXULQI-PKTZIBPZSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001461634906 1069650668 /nfs/dbraw/zinc/65/06/68/1069650668.db2.gz SAACTPLUOXULQI-PKTZIBPZSA-N 2 1 383.580 3.873 20 0 GHADMP O=c1[nH]c2ccccc2c(Cl)c1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614854 1030238495 /nfs/dbraw/zinc/23/84/95/1030238495.db2.gz JYWIMJBZJLABJL-GOSISDBHSA-N 2 1 379.891 3.783 20 0 GHADMP O=c1[nH]c2ccccc2c(Cl)c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614854 1030238508 /nfs/dbraw/zinc/23/85/08/1030238508.db2.gz JYWIMJBZJLABJL-GOSISDBHSA-N 2 1 379.891 3.783 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150152573 1030430550 /nfs/dbraw/zinc/43/05/50/1030430550.db2.gz AZMHTLXXOBILIW-QDSKXPNFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001150152573 1030430556 /nfs/dbraw/zinc/43/05/56/1030430556.db2.gz AZMHTLXXOBILIW-QDSKXPNFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150152573 1030430562 /nfs/dbraw/zinc/43/05/62/1030430562.db2.gz AZMHTLXXOBILIW-QDSKXPNFSA-N 2 1 391.559 3.535 20 0 GHADMP Cc1cc(Cl)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)c(Cl)c1 ZINC001276907272 1030675659 /nfs/dbraw/zinc/67/56/59/1030675659.db2.gz GCLVYOSPPFOBDI-MRXNPFEDSA-N 2 1 398.378 3.582 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001223681094 1030703464 /nfs/dbraw/zinc/70/34/64/1030703464.db2.gz KOHFPECAJIYYCE-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@H](CC)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001223832220 1030774020 /nfs/dbraw/zinc/77/40/20/1030774020.db2.gz QEEZTMMTHSZWPM-FGZHOGPDSA-N 2 1 386.584 3.557 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(O[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001218178915 1030809161 /nfs/dbraw/zinc/80/91/61/1030809161.db2.gz WGVSITIJUPARRC-XMMPIXPASA-N 2 1 379.548 3.653 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001218178915 1030809172 /nfs/dbraw/zinc/80/91/72/1030809172.db2.gz WGVSITIJUPARRC-XMMPIXPASA-N 3 1 379.548 3.653 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001218178915 1030809192 /nfs/dbraw/zinc/80/91/92/1030809192.db2.gz WGVSITIJUPARRC-XMMPIXPASA-N 3 1 379.548 3.653 20 0 GHADMP CCc1nccn1[C@H](C)CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360424 1030876131 /nfs/dbraw/zinc/87/61/31/1030876131.db2.gz YNJIMSHXDMCKEW-TZIWHRDSSA-N 2 1 382.552 3.958 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001151360424 1030876149 /nfs/dbraw/zinc/87/61/49/1030876149.db2.gz YNJIMSHXDMCKEW-TZIWHRDSSA-N 2 1 382.552 3.958 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360424 1030876168 /nfs/dbraw/zinc/87/61/68/1030876168.db2.gz YNJIMSHXDMCKEW-TZIWHRDSSA-N 2 1 382.552 3.958 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2ccc(CN4CC[NH2+]CC4)cc2)C3)cc1 ZINC001218343889 1030904615 /nfs/dbraw/zinc/90/46/15/1030904615.db2.gz MCOYPCAYYNTNOO-YXFZHOHLSA-N 2 1 391.559 3.666 20 0 GHADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC001224244382 1030938511 /nfs/dbraw/zinc/93/85/11/1030938511.db2.gz CBRKAKSPBWGEGP-OAQYLSRUSA-N 2 1 386.584 3.687 20 0 GHADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001224244382 1030938515 /nfs/dbraw/zinc/93/85/15/1030938515.db2.gz CBRKAKSPBWGEGP-OAQYLSRUSA-N 2 1 386.584 3.687 20 0 GHADMP CC[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001224244382 1030938518 /nfs/dbraw/zinc/93/85/18/1030938518.db2.gz CBRKAKSPBWGEGP-OAQYLSRUSA-N 2 1 386.584 3.687 20 0 GHADMP C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218460644 1030946767 /nfs/dbraw/zinc/94/67/67/1030946767.db2.gz VXDDJKIGKLRMMV-NGRWLJPCSA-N 2 1 380.536 3.584 20 0 GHADMP C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151816757 1031014588 /nfs/dbraw/zinc/01/45/88/1031014588.db2.gz XHKMGFARUGCBFZ-FQEVSTJZSA-N 2 1 377.532 3.664 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151816757 1031014605 /nfs/dbraw/zinc/01/46/05/1031014605.db2.gz XHKMGFARUGCBFZ-FQEVSTJZSA-N 2 1 377.532 3.664 20 0 GHADMP C[NH+]1CCC[C@@H](CCNC(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)C1 ZINC001151816757 1031014623 /nfs/dbraw/zinc/01/46/23/1031014623.db2.gz XHKMGFARUGCBFZ-FQEVSTJZSA-N 2 1 377.532 3.664 20 0 GHADMP C[NH+]1CCC[C@@H](CCNC(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)C1 ZINC001151816757 1031014635 /nfs/dbraw/zinc/01/46/35/1031014635.db2.gz XHKMGFARUGCBFZ-FQEVSTJZSA-N 2 1 377.532 3.664 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001152051973 1031088905 /nfs/dbraw/zinc/08/89/05/1031088905.db2.gz BKMZEYJPKVAQJK-DHIUTWEWSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001152051973 1031088924 /nfs/dbraw/zinc/08/89/24/1031088924.db2.gz BKMZEYJPKVAQJK-DHIUTWEWSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001152051973 1031088941 /nfs/dbraw/zinc/08/89/41/1031088941.db2.gz BKMZEYJPKVAQJK-DHIUTWEWSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001152051973 1031088957 /nfs/dbraw/zinc/08/89/57/1031088957.db2.gz BKMZEYJPKVAQJK-DHIUTWEWSA-N 2 1 383.580 3.954 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001224734671 1031093412 /nfs/dbraw/zinc/09/34/12/1031093412.db2.gz ISZMGYDLUPMMIL-MOPGFXCFSA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001224734671 1031093428 /nfs/dbraw/zinc/09/34/28/1031093428.db2.gz ISZMGYDLUPMMIL-MOPGFXCFSA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001224734671 1031093443 /nfs/dbraw/zinc/09/34/43/1031093443.db2.gz ISZMGYDLUPMMIL-MOPGFXCFSA-N 2 1 380.621 3.697 20 0 GHADMP O=C(Nc1ccc2cc[nH]c2c1)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001218940905 1031167554 /nfs/dbraw/zinc/16/75/54/1031167554.db2.gz NPJWBHTYWYSTCP-HYBUGGRVSA-N 2 1 388.515 3.608 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)C1 ZINC001218996943 1031202638 /nfs/dbraw/zinc/20/26/38/1031202638.db2.gz QJFPAGKVVTXDQT-IRLDBZIGSA-N 2 1 377.532 3.923 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001153057511 1031444339 /nfs/dbraw/zinc/44/43/39/1031444339.db2.gz DJEHVZUYMHQPAY-LPHOPBHVSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@H]([NH3+])c1ncc(C(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)s1 ZINC001219489186 1031455276 /nfs/dbraw/zinc/45/52/76/1031455276.db2.gz KTWPPVRYUDUOPE-KBXCAEBGSA-N 2 1 384.549 3.758 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001220639449 1032038720 /nfs/dbraw/zinc/03/87/20/1032038720.db2.gz OFDFMTDAXSIAOA-RZUBCFFCSA-N 2 1 392.632 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001220639449 1032038737 /nfs/dbraw/zinc/03/87/37/1032038737.db2.gz OFDFMTDAXSIAOA-RZUBCFFCSA-N 2 1 392.632 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001220639449 1032038747 /nfs/dbraw/zinc/03/87/47/1032038747.db2.gz OFDFMTDAXSIAOA-RZUBCFFCSA-N 2 1 392.632 3.698 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC001229184599 1033327937 /nfs/dbraw/zinc/32/79/37/1033327937.db2.gz FYKSUOKPFPYLNR-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001229184599 1033327947 /nfs/dbraw/zinc/32/79/47/1033327947.db2.gz FYKSUOKPFPYLNR-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001229184599 1033327960 /nfs/dbraw/zinc/32/79/60/1033327960.db2.gz FYKSUOKPFPYLNR-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001205273149 1033334103 /nfs/dbraw/zinc/33/41/03/1033334103.db2.gz GBZKYYGBFPHAHG-VWLOTQADSA-N 3 1 392.591 3.712 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(Br)cccc2OC(F)F)CC1 ZINC001205591411 1033482716 /nfs/dbraw/zinc/48/27/16/1033482716.db2.gz MEIOSYIZYAVUGX-OAHLLOKOSA-N 2 1 381.236 3.703 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Br)cccc2OC(F)F)CC1 ZINC001205591411 1033482726 /nfs/dbraw/zinc/48/27/26/1033482726.db2.gz MEIOSYIZYAVUGX-OAHLLOKOSA-N 2 1 381.236 3.703 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])CC3)s2)cc1OC ZINC001205628780 1033499507 /nfs/dbraw/zinc/49/95/07/1033499507.db2.gz WPZHFILTXMYSBX-GOEBONIOSA-N 2 1 375.538 3.634 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001157273054 1033504555 /nfs/dbraw/zinc/50/45/55/1033504555.db2.gz VCOUGWAKADDURK-ZWKOTPCHSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001157273054 1033504560 /nfs/dbraw/zinc/50/45/60/1033504560.db2.gz VCOUGWAKADDURK-ZWKOTPCHSA-N 2 1 399.608 3.824 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)CC[C@H]1C[NH3+] ZINC001205651279 1033511375 /nfs/dbraw/zinc/51/13/75/1033511375.db2.gz CCEAXVNFRVPNRJ-RYUDHWBXSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(I)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205662658 1033517352 /nfs/dbraw/zinc/51/73/52/1033517352.db2.gz CXJLIHWIROTWQJ-NWDGAFQWSA-N 2 1 392.712 3.751 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC001205750992 1033559333 /nfs/dbraw/zinc/55/93/33/1033559333.db2.gz VMTSAOQBOBPHNE-IVIIFCHOSA-N 2 1 393.575 3.941 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CCC[C@@H]1C[NH3+] ZINC001206035701 1033697294 /nfs/dbraw/zinc/69/72/94/1033697294.db2.gz CTSKLBAUWNZCGZ-FXAWDEMLSA-N 2 1 382.504 3.801 20 0 GHADMP Cc1nc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)s1 ZINC001206166377 1033751981 /nfs/dbraw/zinc/75/19/81/1033751981.db2.gz SATQUGJRLZVAJI-UHFFFAOYSA-N 2 1 385.577 3.935 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC[C@H]1F ZINC001206172736 1033752897 /nfs/dbraw/zinc/75/28/97/1033752897.db2.gz BPYNZVVEPSJMII-MOPGFXCFSA-N 2 1 386.902 3.999 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC[C@H]1F ZINC001206172736 1033752914 /nfs/dbraw/zinc/75/29/14/1033752914.db2.gz BPYNZVVEPSJMII-MOPGFXCFSA-N 2 1 386.902 3.999 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@H]1F ZINC001206172919 1033753398 /nfs/dbraw/zinc/75/33/98/1033753398.db2.gz CPRGFMISHLOAHA-CABCVRRESA-N 2 1 384.318 3.834 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@H]1F ZINC001206172919 1033753410 /nfs/dbraw/zinc/75/34/10/1033753410.db2.gz CPRGFMISHLOAHA-CABCVRRESA-N 2 1 384.318 3.834 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@H]1F ZINC001206197808 1033760817 /nfs/dbraw/zinc/76/08/17/1033760817.db2.gz JKXDDDUKRFPZNJ-HZPDHXFCSA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@H]1F ZINC001206197808 1033760829 /nfs/dbraw/zinc/76/08/29/1033760829.db2.gz JKXDDDUKRFPZNJ-HZPDHXFCSA-N 2 1 383.389 3.908 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001206248609 1033775328 /nfs/dbraw/zinc/77/53/28/1033775328.db2.gz ZQOHYBFMHSAFKS-AWEZNQCLSA-N 2 1 382.346 3.630 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001206248609 1033775345 /nfs/dbraw/zinc/77/53/45/1033775345.db2.gz ZQOHYBFMHSAFKS-AWEZNQCLSA-N 2 1 382.346 3.630 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC[NH+](C)C)CC2)c(Cl)cc1Cl ZINC001277442705 1033872173 /nfs/dbraw/zinc/87/21/73/1033872173.db2.gz DMRKOYJKLPVTMT-MRXNPFEDSA-N 2 1 398.378 3.582 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001158032933 1033873472 /nfs/dbraw/zinc/87/34/72/1033873472.db2.gz YENNMCFRBQGTGY-ILBGXUMGSA-N 2 1 397.607 3.979 20 0 GHADMP C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(OC2CC[NH+](CCF)CC2)c1-3 ZINC001230126649 1033910321 /nfs/dbraw/zinc/91/03/21/1033910321.db2.gz VNSNWHBAFCSTNZ-HXUWFJFHSA-N 2 1 396.506 3.957 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(OC2CC[NH+](CCF)CC2)c1-3 ZINC001230126649 1033910325 /nfs/dbraw/zinc/91/03/25/1033910325.db2.gz VNSNWHBAFCSTNZ-HXUWFJFHSA-N 2 1 396.506 3.957 20 0 GHADMP COc1cc(OC)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc1Br ZINC001206591330 1033917599 /nfs/dbraw/zinc/91/75/99/1033917599.db2.gz RRCAAUORTCKWCL-OAHLLOKOSA-N 2 1 385.346 3.819 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N1CCC2(CCC[NH2+]2)CC1)c1ccccc1 ZINC001158168500 1033950073 /nfs/dbraw/zinc/95/00/73/1033950073.db2.gz GTUBKMKQKJTWRO-QFIPXVFZSA-N 2 1 377.532 3.604 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N1CCC2(CCC[NH2+]2)CC1)c1ccccc1 ZINC001158168500 1033950089 /nfs/dbraw/zinc/95/00/89/1033950089.db2.gz GTUBKMKQKJTWRO-QFIPXVFZSA-N 2 1 377.532 3.604 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC001206760310 1033974112 /nfs/dbraw/zinc/97/41/12/1033974112.db2.gz CQLYOEOECLZLMI-UHFFFAOYSA-N 2 1 399.336 3.818 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001206827396 1034009374 /nfs/dbraw/zinc/00/93/74/1034009374.db2.gz LUTWQCYGFKYKTH-GOSISDBHSA-N 2 1 383.536 3.865 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001206827396 1034009390 /nfs/dbraw/zinc/00/93/90/1034009390.db2.gz LUTWQCYGFKYKTH-GOSISDBHSA-N 2 1 383.536 3.865 20 0 GHADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000247127078 1034045463 /nfs/dbraw/zinc/04/54/63/1034045463.db2.gz NGRZTTFSJCANJZ-ZJOUEHCJSA-N 2 1 382.552 3.721 20 0 GHADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000247127078 1034045482 /nfs/dbraw/zinc/04/54/82/1034045482.db2.gz NGRZTTFSJCANJZ-ZJOUEHCJSA-N 2 1 382.552 3.721 20 0 GHADMP Fc1cncc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001207025823 1034057473 /nfs/dbraw/zinc/05/74/73/1034057473.db2.gz RSOQVFMWASZRIF-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ncc3ccccn31)CC2 ZINC001207051553 1034070816 /nfs/dbraw/zinc/07/08/16/1034070816.db2.gz JUSMQIAOEBXHPH-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccnn2C(C)C)CC3)c1 ZINC001207172670 1034142503 /nfs/dbraw/zinc/14/25/03/1034142503.db2.gz MLKMBCPEGZJKIY-UHFFFAOYSA-N 2 1 382.552 3.961 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1CCC(c2c[nH]cn2)CC1)Cc1ccccc1 ZINC001230696542 1034185618 /nfs/dbraw/zinc/18/56/18/1034185618.db2.gz CYCRSCMXHTVAPO-UHFFFAOYSA-N 2 1 397.567 3.991 20 0 GHADMP CCCCC[N@H+](CCNC(=O)N1CCC(c2cnc[nH]2)CC1)Cc1ccccc1 ZINC001230696542 1034185625 /nfs/dbraw/zinc/18/56/25/1034185625.db2.gz CYCRSCMXHTVAPO-UHFFFAOYSA-N 2 1 397.567 3.991 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1CCC(c2cnc[nH]2)CC1)Cc1ccccc1 ZINC001230696542 1034185634 /nfs/dbraw/zinc/18/56/34/1034185634.db2.gz CYCRSCMXHTVAPO-UHFFFAOYSA-N 2 1 397.567 3.991 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001207240275 1034205317 /nfs/dbraw/zinc/20/53/17/1034205317.db2.gz MDLUSVIYELUXLM-HXUWFJFHSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158684259 1034229802 /nfs/dbraw/zinc/22/98/02/1034229802.db2.gz MYDUZALZLCUHJL-JOCHJYFZSA-N 2 1 395.576 3.985 20 0 GHADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(O)C(F)(F)F ZINC001207286719 1034236963 /nfs/dbraw/zinc/23/69/63/1034236963.db2.gz KYMHDMRCMFQUAT-FXAWDEMLSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@@]1(O)C(F)(F)F ZINC001207286723 1034237577 /nfs/dbraw/zinc/23/75/77/1034237577.db2.gz KYMHDMRCMFQUAT-PXNSSMCTSA-N 2 1 384.486 3.924 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001207286821 1034238890 /nfs/dbraw/zinc/23/88/90/1034238890.db2.gz NAUARJCMUNSAAM-YADHBBJMSA-N 2 1 375.516 3.566 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207294977 1034248544 /nfs/dbraw/zinc/24/85/44/1034248544.db2.gz YDZYNLJHOKHFTF-QFIPXVFZSA-N 2 1 380.536 3.540 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001230866857 1034259336 /nfs/dbraw/zinc/25/93/36/1034259336.db2.gz FVJPKQFBHQRWQY-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001230866857 1034259348 /nfs/dbraw/zinc/25/93/48/1034259348.db2.gz FVJPKQFBHQRWQY-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001230866857 1034259358 /nfs/dbraw/zinc/25/93/58/1034259358.db2.gz FVJPKQFBHQRWQY-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP Clc1ncnc(Cl)c1CC[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001207328981 1034277231 /nfs/dbraw/zinc/27/72/31/1034277231.db2.gz KXNQRGGZSVOVQZ-UHFFFAOYSA-N 2 1 395.334 3.907 20 0 GHADMP Clc1ncnc(Cl)c1CC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001207328981 1034277246 /nfs/dbraw/zinc/27/72/46/1034277246.db2.gz KXNQRGGZSVOVQZ-UHFFFAOYSA-N 2 1 395.334 3.907 20 0 GHADMP COc1ccccc1CC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001207452834 1034373452 /nfs/dbraw/zinc/37/34/52/1034373452.db2.gz RENTUHSUPMYMKV-HSZRJFAPSA-N 2 1 394.559 3.993 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001207480260 1034392414 /nfs/dbraw/zinc/39/24/14/1034392414.db2.gz YSUHMBOWWZMFRY-UHFFFAOYSA-N 2 1 379.589 3.831 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001159052360 1034403501 /nfs/dbraw/zinc/40/35/01/1034403501.db2.gz UPKPUGOTRHHKEK-RMVISOFLSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001159052360 1034403507 /nfs/dbraw/zinc/40/35/07/1034403507.db2.gz UPKPUGOTRHHKEK-RMVISOFLSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001159052360 1034403511 /nfs/dbraw/zinc/40/35/11/1034403511.db2.gz UPKPUGOTRHHKEK-RMVISOFLSA-N 2 1 383.580 3.665 20 0 GHADMP Cc1cccc(CC[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001207536270 1034440734 /nfs/dbraw/zinc/44/07/34/1034440734.db2.gz DSGKZFOHURHUEN-WXFUMESZSA-N 2 1 386.580 3.518 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CC4CCSCC4)CC3)C2)c1 ZINC001207707682 1034538077 /nfs/dbraw/zinc/53/80/77/1034538077.db2.gz XOYJIIZGOBTHKQ-UHFFFAOYSA-N 2 1 390.593 3.505 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CC4CCSCC4)CC3)C2)c1 ZINC001207707682 1034538081 /nfs/dbraw/zinc/53/80/81/1034538081.db2.gz XOYJIIZGOBTHKQ-UHFFFAOYSA-N 2 1 390.593 3.505 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](CC4(c5ccccc5)CC4)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001207837517 1034614819 /nfs/dbraw/zinc/61/48/19/1034614819.db2.gz MDQNYZUHXQOGQG-NHTMILBNSA-N 2 1 390.575 3.790 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](CC4(c5ccccc5)CC4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001207837517 1034614823 /nfs/dbraw/zinc/61/48/23/1034614823.db2.gz MDQNYZUHXQOGQG-NHTMILBNSA-N 2 1 390.575 3.790 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](CC4(c5ccccc5)CC4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001207837517 1034614830 /nfs/dbraw/zinc/61/48/30/1034614830.db2.gz MDQNYZUHXQOGQG-NHTMILBNSA-N 2 1 390.575 3.790 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](C)Cc1ccc(C(C)(C)C)cc1)CC2 ZINC001207917773 1034659106 /nfs/dbraw/zinc/65/91/06/1034659106.db2.gz WSOQWELDKUDRJH-HXUWFJFHSA-N 2 1 399.623 3.839 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](C)Cc1ccc(C(C)(C)C)cc1)CC2 ZINC001207917773 1034659116 /nfs/dbraw/zinc/65/91/16/1034659116.db2.gz WSOQWELDKUDRJH-HXUWFJFHSA-N 2 1 399.623 3.839 20 0 GHADMP Cc1ccc(CCC[N@@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)o1 ZINC001207946860 1034676770 /nfs/dbraw/zinc/67/67/70/1034676770.db2.gz ONUAJVAVZMEJFL-WIYYLYMNSA-N 2 1 389.565 3.508 20 0 GHADMP Cc1ccc(CCC[N@H+]2CC[C@@H]3C[NH+](Cc4csc(C)n4)CCO[C@@H]3C2)o1 ZINC001207946860 1034676779 /nfs/dbraw/zinc/67/67/79/1034676779.db2.gz ONUAJVAVZMEJFL-WIYYLYMNSA-N 2 1 389.565 3.508 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@@H]3C[N@H+](Cc4csc(C)n4)CCO[C@@H]3C2)o1 ZINC001207946860 1034676785 /nfs/dbraw/zinc/67/67/85/1034676785.db2.gz ONUAJVAVZMEJFL-WIYYLYMNSA-N 2 1 389.565 3.508 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@@H]3C[N@@H+](Cc4csc(C)n4)CCO[C@@H]3C2)o1 ZINC001207946860 1034676796 /nfs/dbraw/zinc/67/67/96/1034676796.db2.gz ONUAJVAVZMEJFL-WIYYLYMNSA-N 2 1 389.565 3.508 20 0 GHADMP COc1cc(F)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001231602218 1034759888 /nfs/dbraw/zinc/75/98/88/1034759888.db2.gz WGQFCCZLSLBIMR-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP COCCCOc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1OC ZINC001231607411 1034762281 /nfs/dbraw/zinc/76/22/81/1034762281.db2.gz QBEZBZYEAQNXLZ-UHFFFAOYSA-N 2 1 399.535 3.553 20 0 GHADMP Nc1ccccc1N(CC1CC[NH2+]CC1)C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001159895086 1034778360 /nfs/dbraw/zinc/77/83/60/1034778360.db2.gz POCJSFSRQXWXEO-UHFFFAOYSA-N 2 1 376.548 3.865 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208185096 1034780849 /nfs/dbraw/zinc/78/08/49/1034780849.db2.gz JPZOVQARIPSUOB-UHFFFAOYSA-N 2 1 388.600 3.844 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccc(CC4CC[NH2+]CC4)cc3)c2)CC1 ZINC001160015679 1034830092 /nfs/dbraw/zinc/83/00/92/1034830092.db2.gz ZIGICMGZFPGXAQ-UHFFFAOYSA-N 2 1 378.564 3.720 20 0 GHADMP COc1cc(Cl)c(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(OC)c1 ZINC001231698537 1034847654 /nfs/dbraw/zinc/84/76/54/1034847654.db2.gz WIRSNRQBIOOOFL-UHFFFAOYSA-N 2 1 375.900 3.800 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(F)cccc1Oc1ccccc1 ZINC001231868144 1034953692 /nfs/dbraw/zinc/95/36/92/1034953692.db2.gz VZUVHKCDJAXQHV-FCHUYYIVSA-N 2 1 383.511 3.828 20 0 GHADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001231876011 1034961204 /nfs/dbraw/zinc/96/12/04/1034961204.db2.gz BPFKCRGMMJWHJT-ISKFKSNPSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001231876011 1034961207 /nfs/dbraw/zinc/96/12/07/1034961207.db2.gz BPFKCRGMMJWHJT-ISKFKSNPSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001231876011 1034961210 /nfs/dbraw/zinc/96/12/10/1034961210.db2.gz BPFKCRGMMJWHJT-ISKFKSNPSA-N 2 1 379.548 3.928 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)CC1 ZINC001208635714 1034963389 /nfs/dbraw/zinc/96/33/89/1034963389.db2.gz ZOBJVNRWBVZUBS-UAPYVXQJSA-N 2 1 376.516 3.701 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001208635714 1034963390 /nfs/dbraw/zinc/96/33/90/1034963390.db2.gz ZOBJVNRWBVZUBS-UAPYVXQJSA-N 2 1 376.516 3.701 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CC[NH+](C)CC2)CC1 ZINC001208635714 1034963395 /nfs/dbraw/zinc/96/33/95/1034963395.db2.gz ZOBJVNRWBVZUBS-UAPYVXQJSA-N 2 1 376.516 3.701 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885438 1034967846 /nfs/dbraw/zinc/96/78/46/1034967846.db2.gz MHNBPYGJDOCRQC-STZQEDGTSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cccc4c3OCCO4)C[C@H]21 ZINC001231885438 1034967849 /nfs/dbraw/zinc/96/78/49/1034967849.db2.gz MHNBPYGJDOCRQC-STZQEDGTSA-N 2 1 393.531 3.585 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001208760324 1035005073 /nfs/dbraw/zinc/00/50/73/1035005073.db2.gz DOWNLOZPGUSNQD-XMMPIXPASA-N 2 1 380.532 3.844 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001208760324 1035005082 /nfs/dbraw/zinc/00/50/82/1035005082.db2.gz DOWNLOZPGUSNQD-XMMPIXPASA-N 2 1 380.532 3.844 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001208760324 1035005091 /nfs/dbraw/zinc/00/50/91/1035005091.db2.gz DOWNLOZPGUSNQD-XMMPIXPASA-N 2 1 380.532 3.844 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](CC1(c3ccccc3)CCCC1)CCC2 ZINC001208775752 1035014677 /nfs/dbraw/zinc/01/46/77/1035014677.db2.gz HQJOIKBMNFKSQA-UHFFFAOYSA-N 2 1 396.579 3.679 20 0 GHADMP Cc1cc(F)ncc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001231982534 1035022860 /nfs/dbraw/zinc/02/28/60/1035022860.db2.gz DYEJNDKLYWKNGX-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP c1ccc(COCCCCC[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001208811636 1035034041 /nfs/dbraw/zinc/03/40/41/1035034041.db2.gz OLHSUCXCKLRRKH-PSWAGMNNSA-N 2 1 379.548 3.832 20 0 GHADMP CC1(C)[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH3+] ZINC001160682120 1035034505 /nfs/dbraw/zinc/03/45/05/1035034505.db2.gz DHWJPDHFVBITPC-VJBWXMMDSA-N 2 1 391.559 3.663 20 0 GHADMP O=C1OC[C@@H]2[C@H]([N@@H+](Cc3cc4c[nH+]ccc4[nH]3)Cc3ccccc3)CCCN12 ZINC001232016371 1035045281 /nfs/dbraw/zinc/04/52/81/1035045281.db2.gz WHYKDUSIQNBOIF-NHCUHLMSSA-N 2 1 376.460 3.548 20 0 GHADMP COc1ccccc1CCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001208838069 1035051462 /nfs/dbraw/zinc/05/14/62/1035051462.db2.gz KLUSEBKWMLFZOU-VJBWXMMDSA-N 2 1 396.579 3.698 20 0 GHADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001208838069 1035051470 /nfs/dbraw/zinc/05/14/70/1035051470.db2.gz KLUSEBKWMLFZOU-VJBWXMMDSA-N 2 1 396.579 3.698 20 0 GHADMP COc1ccccc1CCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001208838069 1035051482 /nfs/dbraw/zinc/05/14/82/1035051482.db2.gz KLUSEBKWMLFZOU-VJBWXMMDSA-N 2 1 396.579 3.698 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1)c1cccc2ccccc21 ZINC001160855340 1035080021 /nfs/dbraw/zinc/08/00/21/1035080021.db2.gz POOIGHCXHNIIBC-ZEQRLZLVSA-N 2 1 385.511 3.671 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1)c1cccc2ccccc21 ZINC001160855340 1035080034 /nfs/dbraw/zinc/08/00/34/1035080034.db2.gz POOIGHCXHNIIBC-ZEQRLZLVSA-N 2 1 385.511 3.671 20 0 GHADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)n1 ZINC001232091378 1035090107 /nfs/dbraw/zinc/09/01/07/1035090107.db2.gz YCZRWOARRHEPJP-UHFFFAOYSA-N 2 1 380.458 3.783 20 0 GHADMP c1ccc(CC[NH+]2CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208937607 1035104389 /nfs/dbraw/zinc/10/43/89/1035104389.db2.gz URTZHENJEAUGGM-VWLOTQADSA-N 2 1 377.576 3.759 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208939023 1035106283 /nfs/dbraw/zinc/10/62/83/1035106283.db2.gz AVEDWACQKBGXLE-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208939023 1035106288 /nfs/dbraw/zinc/10/62/88/1035106288.db2.gz AVEDWACQKBGXLE-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208939023 1035106291 /nfs/dbraw/zinc/10/62/91/1035106291.db2.gz AVEDWACQKBGXLE-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208939023 1035106296 /nfs/dbraw/zinc/10/62/96/1035106296.db2.gz AVEDWACQKBGXLE-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(NC/C=C/C[NH3+])c32)C1 ZINC001160983066 1035111362 /nfs/dbraw/zinc/11/13/62/1035111362.db2.gz XEIBDJONLAXFHP-NHZBNJEXSA-N 2 1 385.581 3.729 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208944569 1035115008 /nfs/dbraw/zinc/11/50/08/1035115008.db2.gz LCBRSOSYTSVNRQ-REWPJTCUSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208944569 1035115014 /nfs/dbraw/zinc/11/50/14/1035115014.db2.gz LCBRSOSYTSVNRQ-REWPJTCUSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208944569 1035115018 /nfs/dbraw/zinc/11/50/18/1035115018.db2.gz LCBRSOSYTSVNRQ-REWPJTCUSA-N 2 1 395.572 3.699 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145254 1035122681 /nfs/dbraw/zinc/12/26/81/1035122681.db2.gz ZNPUBSKIOUWYKH-MRXNPFEDSA-N 2 1 379.520 3.576 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145254 1035122686 /nfs/dbraw/zinc/12/26/86/1035122686.db2.gz ZNPUBSKIOUWYKH-MRXNPFEDSA-N 2 1 379.520 3.576 20 0 GHADMP C[C@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC001232145031 1035122902 /nfs/dbraw/zinc/12/29/02/1035122902.db2.gz SEIBXOIEYIENME-INIZCTEOSA-N 2 1 379.520 3.719 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC001232145031 1035122909 /nfs/dbraw/zinc/12/29/09/1035122909.db2.gz SEIBXOIEYIENME-INIZCTEOSA-N 2 1 379.520 3.719 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208956851 1035128773 /nfs/dbraw/zinc/12/87/73/1035128773.db2.gz JCCGOZDHPFSDGR-KKUQBAQOSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208956851 1035128777 /nfs/dbraw/zinc/12/87/77/1035128777.db2.gz JCCGOZDHPFSDGR-KKUQBAQOSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208956851 1035128783 /nfs/dbraw/zinc/12/87/83/1035128783.db2.gz JCCGOZDHPFSDGR-KKUQBAQOSA-N 2 1 389.587 3.962 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001208959496 1035131504 /nfs/dbraw/zinc/13/15/04/1035131504.db2.gz RJQKNPWVPVCSTA-PTUXOGIPSA-N 2 1 396.506 3.536 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001208959496 1035131518 /nfs/dbraw/zinc/13/15/18/1035131518.db2.gz RJQKNPWVPVCSTA-PTUXOGIPSA-N 2 1 396.506 3.536 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001208959496 1035131522 /nfs/dbraw/zinc/13/15/22/1035131522.db2.gz RJQKNPWVPVCSTA-PTUXOGIPSA-N 2 1 396.506 3.536 20 0 GHADMP CC1(C)[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001208959612 1035131623 /nfs/dbraw/zinc/13/16/23/1035131623.db2.gz SRCYYVMGPHQKRW-NLFFAJNJSA-N 2 1 390.527 3.850 20 0 GHADMP CC1(C)[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001208959612 1035131630 /nfs/dbraw/zinc/13/16/30/1035131630.db2.gz SRCYYVMGPHQKRW-NLFFAJNJSA-N 2 1 390.527 3.850 20 0 GHADMP CC1(C)[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001208959612 1035131634 /nfs/dbraw/zinc/13/16/34/1035131634.db2.gz SRCYYVMGPHQKRW-NLFFAJNJSA-N 2 1 390.527 3.850 20 0 GHADMP CN(C(=O)c1ccccc1)C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208961530 1035132682 /nfs/dbraw/zinc/13/26/82/1035132682.db2.gz GFIILJPUCMHUJX-QFIPXVFZSA-N 2 1 391.559 3.745 20 0 GHADMP Cc1scnc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001232201556 1035157655 /nfs/dbraw/zinc/15/76/55/1035157655.db2.gz LKLMTVCHAYFKNK-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1scnc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001232201556 1035157662 /nfs/dbraw/zinc/15/76/62/1035157662.db2.gz LKLMTVCHAYFKNK-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001209152547 1035194809 /nfs/dbraw/zinc/19/48/09/1035194809.db2.gz UHAXMZRAESWDKL-UHFFFAOYSA-N 2 1 391.556 3.844 20 0 GHADMP c1ccc(OCC[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001209296530 1035234081 /nfs/dbraw/zinc/23/40/81/1035234081.db2.gz HOQVOXRULSGGFC-UPVQGACJSA-N 2 1 384.564 3.526 20 0 GHADMP c1ccc(OCC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001209296530 1035234082 /nfs/dbraw/zinc/23/40/82/1035234082.db2.gz HOQVOXRULSGGFC-UPVQGACJSA-N 2 1 384.564 3.526 20 0 GHADMP c1ccc(OCC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001209296530 1035234085 /nfs/dbraw/zinc/23/40/85/1035234085.db2.gz HOQVOXRULSGGFC-UPVQGACJSA-N 2 1 384.564 3.526 20 0 GHADMP c1ccc(OCC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001209296530 1035234089 /nfs/dbraw/zinc/23/40/89/1035234089.db2.gz HOQVOXRULSGGFC-UPVQGACJSA-N 2 1 384.564 3.526 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209310250 1035237193 /nfs/dbraw/zinc/23/71/93/1035237193.db2.gz DFKPXRXOYFSAIU-OALUTQOASA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001209372202 1035257999 /nfs/dbraw/zinc/25/79/99/1035257999.db2.gz VNMNRSXBMGZYFB-QZTJIDSGSA-N 2 1 393.597 3.807 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)C1 ZINC001209484602 1035288727 /nfs/dbraw/zinc/28/87/27/1035288727.db2.gz VNQBRSNXGFEUFO-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)C1 ZINC001209484602 1035288732 /nfs/dbraw/zinc/28/87/32/1035288732.db2.gz VNQBRSNXGFEUFO-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCC(C)([NH+]4CCCCC4)CC3)c2)C1 ZINC001161780191 1035299871 /nfs/dbraw/zinc/29/98/71/1035299871.db2.gz IVVWKYLXHIXQKV-JOCHJYFZSA-N 2 1 383.580 3.976 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cnc1OC ZINC001209615346 1035330824 /nfs/dbraw/zinc/33/08/24/1035330824.db2.gz HKUOZVWVBVIBME-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP Clc1c[nH]c2cccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001209655824 1035344145 /nfs/dbraw/zinc/34/41/45/1035344145.db2.gz KDYAETRRHAIIOH-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC001461992625 1069933345 /nfs/dbraw/zinc/93/33/45/1069933345.db2.gz UJDFBBHNBHVMDF-VAMGGRTRSA-N 2 1 384.545 3.925 20 0 GHADMP c1nc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc2n1[C@H]1CCC[NH2+]CC1 ZINC001241816526 1035709764 /nfs/dbraw/zinc/70/97/64/1035709764.db2.gz IVYOAVLRGCQMHF-QFIPXVFZSA-N 2 1 390.531 3.850 20 0 GHADMP C[NH+]1CCN(c2cccc(-c3ccc4nc([C@H]5[NH2+][C@@H]6CC[C@H]5C6)[nH]c4c3)c2)CC1 ZINC001243670857 1036247508 /nfs/dbraw/zinc/24/75/08/1036247508.db2.gz BOFPIVNCUJLCCI-YYDVJCTNSA-N 2 1 387.531 3.795 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1(C)C ZINC001462148060 1070033508 /nfs/dbraw/zinc/03/35/08/1070033508.db2.gz MUXPVXJITZETJN-LPHOPBHVSA-N 2 1 383.502 3.746 20 0 GHADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c1 ZINC001278421717 1037070916 /nfs/dbraw/zinc/07/09/16/1037070916.db2.gz QAWCYCXHJOWHOO-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP O[C@H](C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC001246028528 1037146322 /nfs/dbraw/zinc/14/63/22/1037146322.db2.gz NRRACPFURPNSGS-XZOQPEGZSA-N 2 1 398.522 3.663 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001246034467 1037149489 /nfs/dbraw/zinc/14/94/89/1037149489.db2.gz PUBVTARGYHPVOU-JOCHJYFZSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001246034467 1037149506 /nfs/dbraw/zinc/14/95/06/1037149506.db2.gz PUBVTARGYHPVOU-JOCHJYFZSA-N 2 1 394.987 3.504 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001246065946 1037177514 /nfs/dbraw/zinc/17/75/14/1037177514.db2.gz XFGWPDXWFPHTBX-XUVXKRRUSA-N 2 1 380.866 3.686 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001246065946 1037177526 /nfs/dbraw/zinc/17/75/26/1037177526.db2.gz XFGWPDXWFPHTBX-XUVXKRRUSA-N 2 1 380.866 3.686 20 0 GHADMP Cc1cccc(C[N@@H+](C[C@H](O)COc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246065692 1037177855 /nfs/dbraw/zinc/17/78/55/1037177855.db2.gz IQNHOXVKDAQSIK-FKBYEOEOSA-N 2 1 386.511 3.646 20 0 GHADMP COc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246066701 1037180728 /nfs/dbraw/zinc/18/07/28/1037180728.db2.gz LVKUYDGLJOPERV-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H](O)COc2ccc(F)cc2F)CC2CCCCC2)CC1 ZINC001246069897 1037185116 /nfs/dbraw/zinc/18/51/16/1037185116.db2.gz YYQIZFAVBALXMG-VAMGGRTRSA-N 2 1 396.522 3.857 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246168739 1037223142 /nfs/dbraw/zinc/22/31/42/1037223142.db2.gz GMPDTMQOSATWMY-UNMCSNQZSA-N 2 1 389.559 3.552 20 0 GHADMP Ic1cccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246194704 1037230943 /nfs/dbraw/zinc/23/09/43/1037230943.db2.gz SXZKRIDHEJRJAM-ROUUACIJSA-N 2 1 392.284 3.874 20 0 GHADMP CCOC(=O)CC1([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001246206180 1037238691 /nfs/dbraw/zinc/23/86/91/1037238691.db2.gz XXINCAHPXZURPQ-FGZHOGPDSA-N 2 1 378.516 3.560 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246212856 1037240266 /nfs/dbraw/zinc/24/02/66/1037240266.db2.gz REMRRBLQIQRGRR-GMAHTHKFSA-N 3 1 399.529 3.977 20 0 GHADMP C[C@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCNCC1(F)F ZINC001246218578 1037243645 /nfs/dbraw/zinc/24/36/45/1037243645.db2.gz BOSUSCPCCUIHGE-MXEMCNAFSA-N 2 1 377.523 3.797 20 0 GHADMP C[C@@]1(C[NH2+]C2CCC(C3CCC4(CC3)OCCO4)CC2)CC[NH2+]CC1(F)F ZINC001246220022 1037244003 /nfs/dbraw/zinc/24/40/03/1037244003.db2.gz IOYLYVPRHCJLPN-KVZIAJEVSA-N 2 1 386.527 3.703 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001246243544 1037249401 /nfs/dbraw/zinc/24/94/01/1037249401.db2.gz KCNBYDKEHNINSP-ACRUOGEOSA-N 2 1 386.923 3.897 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246261425 1037261944 /nfs/dbraw/zinc/26/19/44/1037261944.db2.gz PRYGLMHQZHKAFP-BVSLBCMMSA-N 2 1 389.584 3.546 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001246265142 1037264784 /nfs/dbraw/zinc/26/47/84/1037264784.db2.gz IJJNLECIZFJDJZ-LJQANCHMSA-N 2 1 388.353 3.578 20 0 GHADMP CCCC[C@H]1C[C@@H](NC2=C(C(=O)OCC)C[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246290468 1037279535 /nfs/dbraw/zinc/27/95/35/1037279535.db2.gz KYUNGPOSBYKJDG-SFTDATJTSA-N 2 1 399.579 3.610 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CCC2CCC3(CC2)OCCO3)CC[NH2+]1 ZINC001246316518 1037291722 /nfs/dbraw/zinc/29/17/22/1037291722.db2.gz HAFYMTPZSLYGIX-FPOVZHCZSA-N 2 1 376.516 3.840 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC[NH2+]1 ZINC001246345383 1037305663 /nfs/dbraw/zinc/30/56/63/1037305663.db2.gz AJPWLMACWVIIJC-LVCYWYKZSA-N 2 1 379.976 3.614 20 0 GHADMP CC[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC[NH2+]1 ZINC001246353871 1037312570 /nfs/dbraw/zinc/31/25/70/1037312570.db2.gz VWPSSTGGTYMFHB-HQRMLTQVSA-N 2 1 399.535 3.575 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)ccc12 ZINC001246353919 1037314069 /nfs/dbraw/zinc/31/40/69/1037314069.db2.gz WLMVTVPMRFDBSW-WQDJSCAQSA-N 2 1 399.535 3.573 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001246357715 1037314912 /nfs/dbraw/zinc/31/49/12/1037314912.db2.gz YERSUWKOLOWDOY-WWEVIYMKSA-N 2 1 397.563 3.948 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn(C2CCC3(CC[NH2+]C3)CC2)c2ccccc12 ZINC001246357068 1037316245 /nfs/dbraw/zinc/31/62/45/1037316245.db2.gz VLBDMZJJKLPTDO-WLBKGHODSA-N 2 1 397.563 3.948 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360005 1037317342 /nfs/dbraw/zinc/31/73/42/1037317342.db2.gz DKNHDLLBTRXZFV-AWRGLXIESA-N 2 1 397.538 3.800 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360005 1037317363 /nfs/dbraw/zinc/31/73/63/1037317363.db2.gz DKNHDLLBTRXZFV-AWRGLXIESA-N 2 1 397.538 3.800 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](CC)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246393734 1037353935 /nfs/dbraw/zinc/35/39/35/1037353935.db2.gz HKCPQWZYQNVWIP-JQVVKUFUSA-N 2 1 399.535 3.575 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246398000 1037356447 /nfs/dbraw/zinc/35/64/47/1037356447.db2.gz URDLLFLBPLEQCI-GGAORHGYSA-N 3 1 399.529 3.977 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246398191 1037357755 /nfs/dbraw/zinc/35/77/55/1037357755.db2.gz VDBAWZIIJMTNFT-FUDKSRODSA-N 2 1 385.502 3.930 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246421626 1037378611 /nfs/dbraw/zinc/37/86/11/1037378611.db2.gz IKEHZEDDOCMIEA-YOEHRIQHSA-N 2 1 384.442 3.606 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246421516 1037379082 /nfs/dbraw/zinc/37/90/82/1037379082.db2.gz IKEHZEDDOCMIEA-PBHICJAKSA-N 2 1 384.442 3.606 20 0 GHADMP O=C1C[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246435640 1037398079 /nfs/dbraw/zinc/39/80/79/1037398079.db2.gz GPXXAWJOSIDXDC-NRFANRHFSA-N 2 1 397.950 3.700 20 0 GHADMP CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246448834 1037410344 /nfs/dbraw/zinc/41/03/44/1037410344.db2.gz LIXFRENLINEHCT-UTSGNWPNSA-N 2 1 397.563 3.933 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246489061 1037435191 /nfs/dbraw/zinc/43/51/91/1037435191.db2.gz KCCACTVSJGJPRO-WOZUAGRISA-N 2 1 391.625 3.843 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)CC[NH2+]1 ZINC001246500916 1037444264 /nfs/dbraw/zinc/44/42/64/1037444264.db2.gz QIJTUUXIDMRSEP-KURKYZTESA-N 2 1 397.357 3.954 20 0 GHADMP Oc1ccc(Br)c(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246507874 1037447701 /nfs/dbraw/zinc/44/77/01/1037447701.db2.gz ZYCPLABVRRAQEZ-QFBILLFUSA-N 2 1 375.310 3.780 20 0 GHADMP O=C(c1ccc(OCc2ccccc2)cc1)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246592325 1037492375 /nfs/dbraw/zinc/49/23/75/1037492375.db2.gz PXOJTJOEULTXES-UHFFFAOYSA-N 2 1 378.516 3.912 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599115 1037497263 /nfs/dbraw/zinc/49/72/63/1037497263.db2.gz AQXYDGDKIXYYFR-VWNXMTODSA-N 2 1 383.580 3.927 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C1CCC3(CCOCC3)CC1)CC2 ZINC001246632181 1037517751 /nfs/dbraw/zinc/51/77/51/1037517751.db2.gz UPBAWMPWSHVBFS-UHFFFAOYSA-N 2 1 384.564 3.871 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C1CC(C)(C)N(O)C(C)(C)C1)CC2 ZINC001246639435 1037522939 /nfs/dbraw/zinc/52/29/39/1037522939.db2.gz RDAIVKSAQGNKSY-UHFFFAOYSA-N 2 1 387.568 3.543 20 0 GHADMP C[C@@H]1C[C@@H](N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC001246637135 1037523151 /nfs/dbraw/zinc/52/31/51/1037523151.db2.gz OQUJWCOBTMALDF-BHIYHBOVSA-N 2 1 381.486 3.798 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+]([C@@H](C)Cc1ccc(C)cc1)C2 ZINC001246669675 1037535150 /nfs/dbraw/zinc/53/51/50/1037535150.db2.gz XAPNGXMNNSMHRI-ZCVJKFOLSA-N 2 1 384.564 3.571 20 0 GHADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246678635 1037543930 /nfs/dbraw/zinc/54/39/30/1037543930.db2.gz PAJQHRFHVATMDP-DHIUTWEWSA-N 2 1 380.532 3.805 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)C2 ZINC001246684980 1037549464 /nfs/dbraw/zinc/54/94/64/1037549464.db2.gz ZFNSIFVJVSPFLA-YPAWHYETSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)C2 ZINC001246684980 1037549487 /nfs/dbraw/zinc/54/94/87/1037549487.db2.gz ZFNSIFVJVSPFLA-YPAWHYETSA-N 2 1 397.360 3.995 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246718076 1037570712 /nfs/dbraw/zinc/57/07/12/1037570712.db2.gz HRCWWLJCSWPAOR-SLSDLSHTSA-N 2 1 397.607 3.710 20 0 GHADMP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246739088 1037582013 /nfs/dbraw/zinc/58/20/13/1037582013.db2.gz NHDVMVICXUVUDW-VWNXMTODSA-N 2 1 391.563 3.530 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CC[NH2+]2)cc1 ZINC001246738007 1037583523 /nfs/dbraw/zinc/58/35/23/1037583523.db2.gz CQKGBBKDXLPQTG-PKTZIBPZSA-N 2 1 398.554 3.908 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)O1 ZINC001246744788 1037586277 /nfs/dbraw/zinc/58/62/77/1037586277.db2.gz LHKVUSXCLFQTBK-MRKXFKPJSA-N 2 1 386.580 3.644 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246750988 1037590395 /nfs/dbraw/zinc/59/03/95/1037590395.db2.gz ZXOXOUWOMBIDGS-RZXSNQJFSA-N 2 1 399.535 3.869 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246750988 1037590406 /nfs/dbraw/zinc/59/04/06/1037590406.db2.gz ZXOXOUWOMBIDGS-RZXSNQJFSA-N 2 1 399.535 3.869 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@H]21 ZINC001246753321 1037592610 /nfs/dbraw/zinc/59/26/10/1037592610.db2.gz KMXRWFOOYYMHGF-WERVVEIQSA-N 2 1 378.564 3.825 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)CC[NH2+]1 ZINC001246772918 1037615694 /nfs/dbraw/zinc/61/56/94/1037615694.db2.gz BXFQSMHBWTXKFD-REHUZNOOSA-N 2 1 383.580 3.944 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCN(Cc3cccc(Br)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246782871 1037623075 /nfs/dbraw/zinc/62/30/75/1037623075.db2.gz LWQBTFFMHTYFLC-ACDBMABISA-N 2 1 394.401 3.876 20 0 GHADMP Cc1cccnc1N1CCCN([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786333 1037625053 /nfs/dbraw/zinc/62/50/53/1037625053.db2.gz NSDABNFZGOCAHW-RBBKRZOGSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786333 1037625064 /nfs/dbraw/zinc/62/50/64/1037625064.db2.gz NSDABNFZGOCAHW-RBBKRZOGSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786333 1037625078 /nfs/dbraw/zinc/62/50/78/1037625078.db2.gz NSDABNFZGOCAHW-RBBKRZOGSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCCN([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786332 1037626565 /nfs/dbraw/zinc/62/65/65/1037626565.db2.gz NSDABNFZGOCAHW-IRLDBZIGSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786332 1037626574 /nfs/dbraw/zinc/62/65/74/1037626574.db2.gz NSDABNFZGOCAHW-IRLDBZIGSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786332 1037626577 /nfs/dbraw/zinc/62/65/77/1037626577.db2.gz NSDABNFZGOCAHW-IRLDBZIGSA-N 2 1 382.527 3.843 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246802836 1037635936 /nfs/dbraw/zinc/63/59/36/1037635936.db2.gz XIPBCFPZFLEVBV-ILBGXUMGSA-N 2 1 377.576 3.946 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246817748 1037649399 /nfs/dbraw/zinc/64/93/99/1037649399.db2.gz NJCSVZWOCQAYFO-IAGOWNOFSA-N 2 1 384.490 3.923 20 0 GHADMP Brc1ccc([C@@H]2CC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)cc1 ZINC001246820027 1037652772 /nfs/dbraw/zinc/65/27/72/1037652772.db2.gz GBFLDGCYYZFLLF-IPJUCJBFSA-N 2 1 379.342 3.540 20 0 GHADMP Fc1ccc(C[N@H+]2CCCN([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823223 1037654766 /nfs/dbraw/zinc/65/47/66/1037654766.db2.gz OROSRIGVQIKKHL-DNQXCXABSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CN2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823223 1037654773 /nfs/dbraw/zinc/65/47/73/1037654773.db2.gz OROSRIGVQIKKHL-DNQXCXABSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CN2CCC[N@H+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823223 1037654785 /nfs/dbraw/zinc/65/47/85/1037654785.db2.gz OROSRIGVQIKKHL-DNQXCXABSA-N 2 1 381.539 3.697 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)CC[NH2+]2)cc1 ZINC001246848641 1037673887 /nfs/dbraw/zinc/67/38/87/1037673887.db2.gz ZBJOKEZQHMHGKA-AOYPEHQESA-N 2 1 389.587 3.872 20 0 GHADMP CCOC(=O)[C@H]1CC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1c1ccccc1 ZINC001246854192 1037676629 /nfs/dbraw/zinc/67/66/29/1037676629.db2.gz NKFIGFFTCAYTPZ-BPBCLYCFSA-N 2 1 384.564 3.968 20 0 GHADMP CCOC(=O)[C@]12C[N@H+](C3CCC(c4ccc(Cl)cc4)CC3)C[C@H]1C[NH2+]CC2 ZINC001246855088 1037676745 /nfs/dbraw/zinc/67/67/45/1037676745.db2.gz JIZBCACGBXAUBS-LPWHEFQBSA-N 2 1 390.955 3.841 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246871868 1037687559 /nfs/dbraw/zinc/68/75/59/1037687559.db2.gz NZHYHDFBOJAKCA-HYBUGGRVSA-N 2 1 377.576 3.952 20 0 GHADMP CC1(C)C[C@@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246882289 1037697038 /nfs/dbraw/zinc/69/70/38/1037697038.db2.gz YPGRNGCAWXDQJP-USZFVNFHSA-N 3 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246882289 1037697050 /nfs/dbraw/zinc/69/70/50/1037697050.db2.gz YPGRNGCAWXDQJP-USZFVNFHSA-N 3 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246882289 1037697061 /nfs/dbraw/zinc/69/70/61/1037697061.db2.gz YPGRNGCAWXDQJP-USZFVNFHSA-N 3 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246882289 1037697072 /nfs/dbraw/zinc/69/70/72/1037697072.db2.gz YPGRNGCAWXDQJP-USZFVNFHSA-N 2 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246882289 1037697082 /nfs/dbraw/zinc/69/70/82/1037697082.db2.gz YPGRNGCAWXDQJP-USZFVNFHSA-N 2 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCN1Cc1ccccc1 ZINC001246882289 1037697096 /nfs/dbraw/zinc/69/70/96/1037697096.db2.gz YPGRNGCAWXDQJP-USZFVNFHSA-N 2 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCN1Cc1ccccc1 ZINC001246882289 1037697106 /nfs/dbraw/zinc/69/71/06/1037697106.db2.gz YPGRNGCAWXDQJP-USZFVNFHSA-N 2 1 389.587 3.903 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC[NH2+]1 ZINC001246910066 1037717480 /nfs/dbraw/zinc/71/74/80/1037717480.db2.gz JFLNOEOADOQTDH-HZPDHXFCSA-N 2 1 398.020 3.675 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC[NH2+]1 ZINC001246910066 1037717501 /nfs/dbraw/zinc/71/75/01/1037717501.db2.gz JFLNOEOADOQTDH-HZPDHXFCSA-N 2 1 398.020 3.675 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1CCC([NH2+]C)CC1 ZINC001246919427 1037725454 /nfs/dbraw/zinc/72/54/54/1037725454.db2.gz MZTDYAAFGWRQFS-NSKBAKJYSA-N 2 1 376.516 3.890 20 0 GHADMP C(C[N@@H+](CC1CC[NH2+]CC1)C1CCC2(CCCCC2)CC1)N1CCOCC1 ZINC001246942769 1037748235 /nfs/dbraw/zinc/74/82/35/1037748235.db2.gz ONDUXYDLVJDFBF-UHFFFAOYSA-N 2 1 377.617 3.513 20 0 GHADMP CCOCCN(C1CC[NH2+]CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246948592 1037750189 /nfs/dbraw/zinc/75/01/89/1037750189.db2.gz DDZHWWWDYWIDHY-UBRQYEGLSA-N 2 1 385.596 3.663 20 0 GHADMP Fc1ccc(CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246954541 1037761445 /nfs/dbraw/zinc/76/14/45/1037761445.db2.gz HWLIBRVAYJEUIB-QFIPXVFZSA-N 2 1 385.502 3.793 20 0 GHADMP COc1ccc(CN(C2CC[NH2+]CC2)[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1F ZINC001246958715 1037773447 /nfs/dbraw/zinc/77/34/47/1037773447.db2.gz GJKFKQSALNOADN-OAQYLSRUSA-N 2 1 389.559 3.795 20 0 GHADMP CCOC(=O)CCC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246964732 1037787425 /nfs/dbraw/zinc/78/74/25/1037787425.db2.gz MSZLSDKWGFLPBJ-MISYRCLQSA-N 2 1 376.541 3.889 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CC1 ZINC001246971605 1037795436 /nfs/dbraw/zinc/79/54/36/1037795436.db2.gz HRXRBNBURREOQA-HNNXBMFYSA-N 2 1 382.474 3.533 20 0 GHADMP Brc1ccc(N2CCC([N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)CC2)cc1 ZINC001246974208 1037797315 /nfs/dbraw/zinc/79/73/15/1037797315.db2.gz QESGIYJGYGIUCH-INIZCTEOSA-N 2 1 392.385 3.882 20 0 GHADMP Brc1cnn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001462213352 1070087974 /nfs/dbraw/zinc/08/79/74/1070087974.db2.gz ACQIYMACVFXZKZ-HKUYNNGSSA-N 2 1 389.341 3.603 20 0 GHADMP Brc1cnn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001462213352 1070087989 /nfs/dbraw/zinc/08/79/89/1070087989.db2.gz ACQIYMACVFXZKZ-HKUYNNGSSA-N 2 1 389.341 3.603 20 0 GHADMP Fc1ccc(CCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1F ZINC001462221066 1070097519 /nfs/dbraw/zinc/09/75/19/1070097519.db2.gz KYLZCXSRDXJHEI-QFIPXVFZSA-N 2 1 399.529 3.790 20 0 GHADMP Fc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn2c1 ZINC001232412217 1038195857 /nfs/dbraw/zinc/19/58/57/1038195857.db2.gz HTLWIQJNGZVTMA-UHFFFAOYSA-N 2 1 378.495 3.962 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)c(Br)c2)no1 ZINC001247698170 1038337254 /nfs/dbraw/zinc/33/72/54/1038337254.db2.gz LEVRRYZVZXHWOY-LLVKDONJSA-N 2 1 393.207 3.647 20 0 GHADMP CNc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001232666914 1038461620 /nfs/dbraw/zinc/46/16/20/1038461620.db2.gz BHFAFCMBTPNIPM-VWNXMTODSA-N 2 1 383.580 3.689 20 0 GHADMP CNc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232666914 1038461625 /nfs/dbraw/zinc/46/16/25/1038461625.db2.gz BHFAFCMBTPNIPM-VWNXMTODSA-N 2 1 383.580 3.689 20 0 GHADMP CNc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232666914 1038461631 /nfs/dbraw/zinc/46/16/31/1038461631.db2.gz BHFAFCMBTPNIPM-VWNXMTODSA-N 2 1 383.580 3.689 20 0 GHADMP FC(F)(F)c1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247905712 1038479261 /nfs/dbraw/zinc/47/92/61/1038479261.db2.gz KVRVHRLEIMZLMJ-AWEZNQCLSA-N 2 1 380.414 3.687 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3cc(Br)ncc23)CC1 ZINC001232860256 1038612067 /nfs/dbraw/zinc/61/20/67/1038612067.db2.gz NDZDHOANMCJVPI-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@H]2CN2CCOCC2)CC[NH+](Cc2ccccc2)C1 ZINC001462291139 1070148423 /nfs/dbraw/zinc/14/84/23/1070148423.db2.gz NEFBEVAPEBDIHL-ZCYQVOJMSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@H]2CN2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001462291139 1070148427 /nfs/dbraw/zinc/14/84/27/1070148427.db2.gz NEFBEVAPEBDIHL-ZCYQVOJMSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@H]2CN2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462291139 1070148433 /nfs/dbraw/zinc/14/84/33/1070148433.db2.gz NEFBEVAPEBDIHL-ZCYQVOJMSA-N 2 1 399.623 3.721 20 0 GHADMP Clc1sccc1C[NH+]1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001233056370 1038818391 /nfs/dbraw/zinc/81/83/91/1038818391.db2.gz GHMRHTOMYCUPMN-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP Clc1sccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001233056370 1038818421 /nfs/dbraw/zinc/81/84/21/1038818421.db2.gz GHMRHTOMYCUPMN-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP CN(C)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)n1 ZINC001233121678 1038908142 /nfs/dbraw/zinc/90/81/42/1038908142.db2.gz MVBQWQSXEDQIDC-UXHICEINSA-N 2 1 382.527 3.631 20 0 GHADMP CN(C)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(F)n1 ZINC001233121678 1038908146 /nfs/dbraw/zinc/90/81/46/1038908146.db2.gz MVBQWQSXEDQIDC-UXHICEINSA-N 2 1 382.527 3.631 20 0 GHADMP COc1c(O)cccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001233255866 1039022919 /nfs/dbraw/zinc/02/29/19/1039022919.db2.gz GGZVEVABUKRGDG-OAQYLSRUSA-N 2 1 396.531 3.656 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc(O)c2OC)CC3)c1 ZINC001233256208 1039023234 /nfs/dbraw/zinc/02/32/34/1039023234.db2.gz RVCUQFIYIDJNCM-UHFFFAOYSA-N 2 1 396.531 3.898 20 0 GHADMP COCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281193 1039053865 /nfs/dbraw/zinc/05/38/65/1039053865.db2.gz RAYFBRCTXRTMOD-NKKJXINNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281193 1039053882 /nfs/dbraw/zinc/05/38/82/1039053882.db2.gz RAYFBRCTXRTMOD-NKKJXINNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281193 1039053891 /nfs/dbraw/zinc/05/38/91/1039053891.db2.gz RAYFBRCTXRTMOD-NKKJXINNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281193 1039053908 /nfs/dbraw/zinc/05/39/08/1039053908.db2.gz RAYFBRCTXRTMOD-NKKJXINNSA-N 2 1 395.547 3.797 20 0 GHADMP CCC(CC)[N@@H+](C[C@@H](O)COC(C)C)C1CCN(Cc2ccccc2)CC1 ZINC001252676158 1039075615 /nfs/dbraw/zinc/07/56/15/1039075615.db2.gz RQVSXDLAVGTVFW-HSZRJFAPSA-N 2 1 376.585 3.928 20 0 GHADMP CCOC(=O)c1ccnc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001233328241 1039121291 /nfs/dbraw/zinc/12/12/91/1039121291.db2.gz ARAFMBJJVUBZAM-FGZHOGPDSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001233328241 1039121303 /nfs/dbraw/zinc/12/13/03/1039121303.db2.gz ARAFMBJJVUBZAM-FGZHOGPDSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001233328241 1039121313 /nfs/dbraw/zinc/12/13/13/1039121313.db2.gz ARAFMBJJVUBZAM-FGZHOGPDSA-N 2 1 393.531 3.602 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3nccn31)CC2 ZINC001233362235 1039188552 /nfs/dbraw/zinc/18/85/52/1039188552.db2.gz UEGAHXBDSWHIHU-JOCHJYFZSA-N 2 1 390.531 3.590 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252917174 1039254734 /nfs/dbraw/zinc/25/47/34/1039254734.db2.gz NSNBVZKWHWYYKP-SDHSZQHLSA-N 2 1 394.559 3.741 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CCCC[C@H]2OCc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917174 1039254747 /nfs/dbraw/zinc/25/47/47/1039254747.db2.gz NSNBVZKWHWYYKP-SDHSZQHLSA-N 2 1 394.559 3.741 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Sc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252931088 1039268149 /nfs/dbraw/zinc/26/81/49/1039268149.db2.gz HIRKPODMPZWESQ-HSZRJFAPSA-N 2 1 382.573 3.880 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Sc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252931088 1039268157 /nfs/dbraw/zinc/26/81/57/1039268157.db2.gz HIRKPODMPZWESQ-HSZRJFAPSA-N 2 1 382.573 3.880 20 0 GHADMP COc1ccc(CC2(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CCC2)cc1 ZINC001252950739 1039295662 /nfs/dbraw/zinc/29/56/62/1039295662.db2.gz MKJAACDBLSBVAO-RUZDIDTESA-N 2 1 394.559 3.635 20 0 GHADMP COc1ccc(CC2(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCC2)cc1 ZINC001252950739 1039295669 /nfs/dbraw/zinc/29/56/69/1039295669.db2.gz MKJAACDBLSBVAO-RUZDIDTESA-N 2 1 394.559 3.635 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001252996578 1039325398 /nfs/dbraw/zinc/32/53/98/1039325398.db2.gz DOBICEAXLMDCFL-WOJBJXKFSA-N 2 1 377.573 3.523 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001253003106 1039330072 /nfs/dbraw/zinc/33/00/72/1039330072.db2.gz ZVFBTWXAAMMRLC-IRLDBZIGSA-N 2 1 380.617 3.921 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001253003106 1039330087 /nfs/dbraw/zinc/33/00/87/1039330087.db2.gz ZVFBTWXAAMMRLC-IRLDBZIGSA-N 2 1 380.617 3.921 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001253027363 1039360979 /nfs/dbraw/zinc/36/09/79/1039360979.db2.gz WOYFBEJDHTZQIN-ZJSXRUAMSA-N 2 1 390.612 3.877 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1OCc1ccccc1 ZINC001234498714 1040080685 /nfs/dbraw/zinc/08/06/85/1040080685.db2.gz OLNQHTUWXTZLIT-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1OCc1ccccc1 ZINC001234498714 1040080699 /nfs/dbraw/zinc/08/06/99/1040080699.db2.gz OLNQHTUWXTZLIT-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1OCc1ccccc1 ZINC001234498714 1040080703 /nfs/dbraw/zinc/08/07/03/1040080703.db2.gz OLNQHTUWXTZLIT-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254268798 1040113061 /nfs/dbraw/zinc/11/30/61/1040113061.db2.gz CGJVKIVRQQIXHP-FQEVSTJZSA-N 2 1 385.349 3.952 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254292459 1040142706 /nfs/dbraw/zinc/14/27/06/1040142706.db2.gz AIXKPMPHQSXECC-GOSISDBHSA-N 2 1 388.556 3.738 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001254296699 1040146966 /nfs/dbraw/zinc/14/69/66/1040146966.db2.gz DUDUHHYMMBDALZ-IBGZPJMESA-N 2 1 391.531 3.865 20 0 GHADMP c1ccc2c(c1)CCC([NH+]1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C1)CC2 ZINC001254460471 1040248672 /nfs/dbraw/zinc/24/86/72/1040248672.db2.gz JKOWRHXMCKVEIT-ILBGXUMGSA-N 2 1 391.559 3.552 20 0 GHADMP c1ccc2c(c1)CCC([N@H+]1CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C1)CC2 ZINC001254460471 1040248687 /nfs/dbraw/zinc/24/86/87/1040248687.db2.gz JKOWRHXMCKVEIT-ILBGXUMGSA-N 2 1 391.559 3.552 20 0 GHADMP c1ccc2c(c1)CCC([N@@H+]1CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C1)CC2 ZINC001254460471 1040248707 /nfs/dbraw/zinc/24/87/07/1040248707.db2.gz JKOWRHXMCKVEIT-ILBGXUMGSA-N 2 1 391.559 3.552 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC001254511050 1040290038 /nfs/dbraw/zinc/29/00/38/1040290038.db2.gz UCDAGFRJRZVGKW-FQEVSTJZSA-N 3 1 394.401 3.735 20 0 GHADMP C[N@@H+]1CCC[C@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC001254511050 1040290056 /nfs/dbraw/zinc/29/00/56/1040290056.db2.gz UCDAGFRJRZVGKW-FQEVSTJZSA-N 2 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC001254511050 1040290073 /nfs/dbraw/zinc/29/00/73/1040290073.db2.gz UCDAGFRJRZVGKW-FQEVSTJZSA-N 2 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001254519496 1040292076 /nfs/dbraw/zinc/29/20/76/1040292076.db2.gz IURNTFRFTGISSH-SESVDKBCSA-N 2 1 385.552 3.689 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001254519496 1040292095 /nfs/dbraw/zinc/29/20/95/1040292095.db2.gz IURNTFRFTGISSH-SESVDKBCSA-N 2 1 385.552 3.689 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001254519496 1040292112 /nfs/dbraw/zinc/29/21/12/1040292112.db2.gz IURNTFRFTGISSH-SESVDKBCSA-N 2 1 385.552 3.689 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518719 1040293276 /nfs/dbraw/zinc/29/32/76/1040293276.db2.gz DKPTUPGFGVYFMA-RTWAWAEBSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518719 1040293288 /nfs/dbraw/zinc/29/32/88/1040293288.db2.gz DKPTUPGFGVYFMA-RTWAWAEBSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254518719 1040293299 /nfs/dbraw/zinc/29/32/99/1040293299.db2.gz DKPTUPGFGVYFMA-RTWAWAEBSA-N 2 1 399.579 3.807 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)CC1 ZINC001254523153 1040296554 /nfs/dbraw/zinc/29/65/54/1040296554.db2.gz SRFGNIGBICDZMY-FGZHOGPDSA-N 2 1 381.564 3.546 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001254767181 1040528529 /nfs/dbraw/zinc/52/85/29/1040528529.db2.gz QILVTWLNCMQDTA-QZTJIDSGSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001254767181 1040528550 /nfs/dbraw/zinc/52/85/50/1040528550.db2.gz QILVTWLNCMQDTA-QZTJIDSGSA-N 2 1 377.573 3.773 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793966 1040554959 /nfs/dbraw/zinc/55/49/59/1040554959.db2.gz UATSUGMYOSYLEZ-IEBWSBKVSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793966 1040554975 /nfs/dbraw/zinc/55/49/75/1040554975.db2.gz UATSUGMYOSYLEZ-IEBWSBKVSA-N 2 1 379.589 3.876 20 0 GHADMP c1ccc2c(c1)CC[N@H+](C1CCN(Cc3cccc(N4CCOCC4)c3)CC1)C2 ZINC001235083873 1040568543 /nfs/dbraw/zinc/56/85/43/1040568543.db2.gz PWGGRCBNGMLDAO-UHFFFAOYSA-N 2 1 391.559 3.546 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(CC3)C[NH2+]Cc3ccccc34)C2)cc1 ZINC001235086818 1040574999 /nfs/dbraw/zinc/57/49/99/1040574999.db2.gz PJJJIAIFJJJEFQ-QFIPXVFZSA-N 3 1 375.560 3.646 20 0 GHADMP c1ccc(CN2CC[C@@H](C[NH+]3CCC4(CC3)C[NH2+]Cc3ccccc34)C2)cc1 ZINC001235086818 1040575013 /nfs/dbraw/zinc/57/50/13/1040575013.db2.gz PJJJIAIFJJJEFQ-QFIPXVFZSA-N 2 1 375.560 3.646 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnc(N3CCSCC3)c2)CC1 ZINC001462474473 1070283381 /nfs/dbraw/zinc/28/33/81/1070283381.db2.gz DVQKUTVUJHKBED-NQIIRXRSSA-N 2 1 388.625 3.768 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235160232 1040654077 /nfs/dbraw/zinc/65/40/77/1040654077.db2.gz ZVFFIDFOGVLGIM-SFHVURJKSA-N 2 1 398.332 3.954 20 0 GHADMP COc1c(Br)cc(F)cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159899 1040654181 /nfs/dbraw/zinc/65/41/81/1040654181.db2.gz YKBBNNWKIZHFCX-KRWDZBQOSA-N 2 1 385.321 3.951 20 0 GHADMP COc1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235223340 1040704787 /nfs/dbraw/zinc/70/47/87/1040704787.db2.gz DKQLSCWQQDVPAB-PXNSSMCTSA-N 2 1 376.422 3.946 20 0 GHADMP COc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)cc1 ZINC001235223340 1040704791 /nfs/dbraw/zinc/70/47/91/1040704791.db2.gz DKQLSCWQQDVPAB-PXNSSMCTSA-N 2 1 376.422 3.946 20 0 GHADMP [NH3+]Cc1ccc(-c2cn(C3C[C@@H]4COC[C@H](C3)[N@H+]4Cc3ccccc3)cn2)cc1 ZINC001255000172 1040721973 /nfs/dbraw/zinc/72/19/73/1040721973.db2.gz URZUBHMVDPWVAB-NOTZXAQLSA-N 2 1 388.515 3.613 20 0 GHADMP C[NH+]1CCN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255074189 1040765958 /nfs/dbraw/zinc/76/59/58/1040765958.db2.gz KHWQZXGEAAAXNY-JIMJEQGWSA-N 2 1 389.587 3.999 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(-c4ccc(C)cc4)c3)CC[C@@H]2C1 ZINC001235310150 1040783684 /nfs/dbraw/zinc/78/36/84/1040783684.db2.gz FQEQKORCVXKVMN-JWQCQUIFSA-N 2 1 394.559 3.831 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(-c4ccc(C)cc4)c3)CC[C@@H]2C1 ZINC001235310150 1040783696 /nfs/dbraw/zinc/78/36/96/1040783696.db2.gz FQEQKORCVXKVMN-JWQCQUIFSA-N 2 1 394.559 3.831 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(C)cc4)c3)CC[C@@H]2C1 ZINC001235310150 1040783713 /nfs/dbraw/zinc/78/37/13/1040783713.db2.gz FQEQKORCVXKVMN-JWQCQUIFSA-N 2 1 394.559 3.831 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CCN([C@H]2CC[NH+](Cc4ccccc4)C2)CC3)co1 ZINC001255114989 1040800357 /nfs/dbraw/zinc/80/03/57/1040800357.db2.gz JTIFKIMDVCSBSU-QHCPKHFHSA-N 2 1 379.548 3.842 20 0 GHADMP c1cc(C[NH+]2CCC3(C2)CCN([C@H]2CC[N@H+](Cc4ccccc4)C2)CC3)co1 ZINC001255114989 1040800372 /nfs/dbraw/zinc/80/03/72/1040800372.db2.gz JTIFKIMDVCSBSU-QHCPKHFHSA-N 2 1 379.548 3.842 20 0 GHADMP c1cc(C[NH+]2CCC3(C2)CCN([C@H]2CC[N@@H+](Cc4ccccc4)C2)CC3)co1 ZINC001255114989 1040800394 /nfs/dbraw/zinc/80/03/94/1040800394.db2.gz JTIFKIMDVCSBSU-QHCPKHFHSA-N 2 1 379.548 3.842 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001255120050 1040810946 /nfs/dbraw/zinc/81/09/46/1040810946.db2.gz JQNMYWRFKSCGTA-XMMPIXPASA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255120050 1040810956 /nfs/dbraw/zinc/81/09/56/1040810956.db2.gz JQNMYWRFKSCGTA-XMMPIXPASA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255120050 1040810971 /nfs/dbraw/zinc/81/09/71/1040810971.db2.gz JQNMYWRFKSCGTA-XMMPIXPASA-N 2 1 381.539 3.996 20 0 GHADMP O=C(C1CCC1)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255130682 1040824881 /nfs/dbraw/zinc/82/48/81/1040824881.db2.gz HRSAVLSRLOUTGG-WBDAEOGXSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CCC1 ZINC001255132086 1040828790 /nfs/dbraw/zinc/82/87/90/1040828790.db2.gz ITPIYIQSBRGTFW-KHFMAEOWSA-N 2 1 395.591 3.999 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132985 1040831667 /nfs/dbraw/zinc/83/16/67/1040831667.db2.gz OAFLVTASKFIBFG-DTUBNOLGSA-N 2 1 391.563 3.749 20 0 GHADMP O=C(C1CCC1)N1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255144098 1040854384 /nfs/dbraw/zinc/85/43/84/1040854384.db2.gz LXVRWQZDXSAOBE-NUNAXRQHSA-N 2 1 381.564 3.516 20 0 GHADMP O=C(C1CCC1)N1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255144098 1040854404 /nfs/dbraw/zinc/85/44/04/1040854404.db2.gz LXVRWQZDXSAOBE-NUNAXRQHSA-N 2 1 381.564 3.516 20 0 GHADMP O=C(C1CCC1)N1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255144098 1040854418 /nfs/dbraw/zinc/85/44/18/1040854418.db2.gz LXVRWQZDXSAOBE-NUNAXRQHSA-N 2 1 381.564 3.516 20 0 GHADMP O=C(C1CCC1)N1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255144098 1040854438 /nfs/dbraw/zinc/85/44/38/1040854438.db2.gz LXVRWQZDXSAOBE-NUNAXRQHSA-N 2 1 381.564 3.516 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255149113 1040863611 /nfs/dbraw/zinc/86/36/11/1040863611.db2.gz FILDKURHFGJXKG-ZBYYUNFXSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1OCc1ccccc1 ZINC001235371260 1040875479 /nfs/dbraw/zinc/87/54/79/1040875479.db2.gz YIGVSMBDRYZPQG-WMTXJRDZSA-N 2 1 378.516 3.527 20 0 GHADMP Oc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OCC1CC1 ZINC001235383446 1040903098 /nfs/dbraw/zinc/90/30/98/1040903098.db2.gz PJWYTBZTORBQFX-RCZVLFRGSA-N 2 1 392.543 3.934 20 0 GHADMP Oc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OCC1CC1 ZINC001235383446 1040903106 /nfs/dbraw/zinc/90/31/06/1040903106.db2.gz PJWYTBZTORBQFX-RCZVLFRGSA-N 2 1 392.543 3.934 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001255208839 1040905230 /nfs/dbraw/zinc/90/52/30/1040905230.db2.gz BPNGFLDSXVPIGP-CZYKHXBRSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+](C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001255208839 1040905231 /nfs/dbraw/zinc/90/52/31/1040905231.db2.gz BPNGFLDSXVPIGP-CZYKHXBRSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+](C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001255208839 1040905232 /nfs/dbraw/zinc/90/52/32/1040905232.db2.gz BPNGFLDSXVPIGP-CZYKHXBRSA-N 2 1 385.552 3.592 20 0 GHADMP Cn1ccc(-c2ccc(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)cc2)n1 ZINC001235387838 1040906671 /nfs/dbraw/zinc/90/66/71/1040906671.db2.gz XSMZSUOBICJRMH-ZCYQVOJMSA-N 2 1 386.543 3.840 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)cc1 ZINC001235398405 1040912607 /nfs/dbraw/zinc/91/26/07/1040912607.db2.gz VNRZSDSQWQQENY-ICSRJNTNSA-N 2 1 383.511 3.972 20 0 GHADMP Ic1csc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235424333 1040926602 /nfs/dbraw/zinc/92/66/02/1040926602.db2.gz GYKMIXUYAILDFP-OLZOCXBDSA-N 2 1 390.334 3.564 20 0 GHADMP c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C3)cc1 ZINC001235531129 1040976962 /nfs/dbraw/zinc/97/69/62/1040976962.db2.gz GLFIBUXQQRIADR-ILBGXUMGSA-N 2 1 391.559 3.635 20 0 GHADMP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CCC(CC(=O)N3CC=CC3)CC2)CC1 ZINC001235535052 1040979079 /nfs/dbraw/zinc/97/90/79/1040979079.db2.gz SQZGCSOLQHWVDV-HSZRJFAPSA-N 2 1 395.591 3.617 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)CC3)cc1 ZINC001235537124 1040980579 /nfs/dbraw/zinc/98/05/79/1040980579.db2.gz MNRYODMELIIHKV-UHFFFAOYSA-N 2 1 388.490 3.529 20 0 GHADMP CC[C@@H]1[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001235550641 1040983341 /nfs/dbraw/zinc/98/33/41/1040983341.db2.gz PQBFVRQEQQQUKS-UNMCSNQZSA-N 2 1 387.593 3.539 20 0 GHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CCO2 ZINC001255396904 1040983724 /nfs/dbraw/zinc/98/37/24/1040983724.db2.gz LRZHANCUVBWWCE-IFMALSPDSA-N 2 1 394.515 3.941 20 0 GHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CCO2 ZINC001255396904 1040983725 /nfs/dbraw/zinc/98/37/25/1040983725.db2.gz LRZHANCUVBWWCE-IFMALSPDSA-N 2 1 394.515 3.941 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001235551289 1040983637 /nfs/dbraw/zinc/98/36/37/1040983637.db2.gz HNXWRRNNNFOYOA-NEWSRXKRSA-N 2 1 399.476 3.715 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001235551289 1040983640 /nfs/dbraw/zinc/98/36/40/1040983640.db2.gz HNXWRRNNNFOYOA-NEWSRXKRSA-N 2 1 399.476 3.715 20 0 GHADMP Fc1ccc(N2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255398228 1040984037 /nfs/dbraw/zinc/98/40/37/1040984037.db2.gz IVJGTQXXKGRNRP-QFIPXVFZSA-N 2 1 382.527 3.788 20 0 GHADMP Fc1ccc(N2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255398228 1040984039 /nfs/dbraw/zinc/98/40/39/1040984039.db2.gz IVJGTQXXKGRNRP-QFIPXVFZSA-N 2 1 382.527 3.788 20 0 GHADMP Fc1ccc(N2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255398228 1040984040 /nfs/dbraw/zinc/98/40/40/1040984040.db2.gz IVJGTQXXKGRNRP-QFIPXVFZSA-N 2 1 382.527 3.788 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255402554 1040988932 /nfs/dbraw/zinc/98/89/32/1040988932.db2.gz PAXPGJPXYYBALQ-HJOGWXRNSA-N 2 1 386.580 3.949 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402554 1040988934 /nfs/dbraw/zinc/98/89/34/1040988934.db2.gz PAXPGJPXYYBALQ-HJOGWXRNSA-N 2 1 386.580 3.949 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402554 1040988937 /nfs/dbraw/zinc/98/89/37/1040988937.db2.gz PAXPGJPXYYBALQ-HJOGWXRNSA-N 2 1 386.580 3.949 20 0 GHADMP FC(F)(F)Oc1cccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001235567870 1040991813 /nfs/dbraw/zinc/99/18/13/1040991813.db2.gz XJLPHDKVVJUIAS-UHFFFAOYSA-N 2 1 394.441 3.830 20 0 GHADMP FC(F)(F)Oc1cccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001235567870 1040991814 /nfs/dbraw/zinc/99/18/14/1040991814.db2.gz XJLPHDKVVJUIAS-UHFFFAOYSA-N 2 1 394.441 3.830 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001255408665 1040994630 /nfs/dbraw/zinc/99/46/30/1040994630.db2.gz AMVIHNUIWGYMCI-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255408665 1040994631 /nfs/dbraw/zinc/99/46/31/1040994631.db2.gz AMVIHNUIWGYMCI-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255408665 1040994642 /nfs/dbraw/zinc/99/46/42/1040994642.db2.gz AMVIHNUIWGYMCI-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255407584 1040994866 /nfs/dbraw/zinc/99/48/66/1040994866.db2.gz BOMXARAYOSKBNF-XMMPIXPASA-N 2 1 391.559 3.889 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255407584 1040994868 /nfs/dbraw/zinc/99/48/68/1040994868.db2.gz BOMXARAYOSKBNF-XMMPIXPASA-N 2 1 391.559 3.889 20 0 GHADMP O=C(c1ccccc1)N1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255407584 1040994869 /nfs/dbraw/zinc/99/48/69/1040994869.db2.gz BOMXARAYOSKBNF-XMMPIXPASA-N 2 1 391.559 3.889 20 0 GHADMP O=C(c1ccccc1)N1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255407584 1040994874 /nfs/dbraw/zinc/99/48/74/1040994874.db2.gz BOMXARAYOSKBNF-XMMPIXPASA-N 2 1 391.559 3.889 20 0 GHADMP FC(F)(F)c1nn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255408774 1040995607 /nfs/dbraw/zinc/99/56/07/1040995607.db2.gz PZJORJIXJGHANT-MRXNPFEDSA-N 2 1 378.442 3.775 20 0 GHADMP COc1ccc(O[C@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409048 1040996459 /nfs/dbraw/zinc/99/64/59/1040996459.db2.gz FHMSVPUIHWHBJS-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409048 1040996462 /nfs/dbraw/zinc/99/64/62/1040996462.db2.gz FHMSVPUIHWHBJS-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409048 1040996475 /nfs/dbraw/zinc/99/64/75/1040996475.db2.gz FHMSVPUIHWHBJS-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410320 1040999203 /nfs/dbraw/zinc/99/92/03/1040999203.db2.gz UKOCUZICNBWWKX-FYYLOGMGSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410320 1040999215 /nfs/dbraw/zinc/99/92/15/1040999215.db2.gz UKOCUZICNBWWKX-FYYLOGMGSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410320 1040999221 /nfs/dbraw/zinc/99/92/21/1040999221.db2.gz UKOCUZICNBWWKX-FYYLOGMGSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410320 1040999225 /nfs/dbraw/zinc/99/92/25/1040999225.db2.gz UKOCUZICNBWWKX-FYYLOGMGSA-N 2 1 378.516 3.814 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255410268 1040999270 /nfs/dbraw/zinc/99/92/70/1040999270.db2.gz SSGDMRJVAWFUOU-FCHUYYIVSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255410268 1040999271 /nfs/dbraw/zinc/99/92/71/1040999271.db2.gz SSGDMRJVAWFUOU-FCHUYYIVSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255410268 1040999272 /nfs/dbraw/zinc/99/92/72/1040999272.db2.gz SSGDMRJVAWFUOU-FCHUYYIVSA-N 2 1 395.547 3.988 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235618922 1041038892 /nfs/dbraw/zinc/03/88/92/1041038892.db2.gz FQOWXWWRKBNWMY-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235618922 1041038932 /nfs/dbraw/zinc/03/89/32/1041038932.db2.gz FQOWXWWRKBNWMY-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3-c3ccncc3)C2)C1 ZINC001235618922 1041038967 /nfs/dbraw/zinc/03/89/67/1041038967.db2.gz FQOWXWWRKBNWMY-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)sc2c1C[NH2+]CC2 ZINC001235630011 1041061720 /nfs/dbraw/zinc/06/17/20/1041061720.db2.gz BBHKYNGJFCILDF-SIKLNZKXSA-N 2 1 390.593 3.724 20 0 GHADMP O=C1C[C@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)CN1c1ccc(F)c(F)c1 ZINC001235635456 1041069119 /nfs/dbraw/zinc/06/91/19/1041069119.db2.gz CRSBLDVIIKQHSD-QFIPXVFZSA-N 2 1 391.506 3.706 20 0 GHADMP O=C1C[C@@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)CN1c1ccc(F)c(F)c1 ZINC001235635455 1041069940 /nfs/dbraw/zinc/06/99/40/1041069940.db2.gz CRSBLDVIIKQHSD-JOCHJYFZSA-N 2 1 391.506 3.706 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001235674538 1041131171 /nfs/dbraw/zinc/13/11/71/1041131171.db2.gz UHZKHCVQDWOJEA-UHFFFAOYSA-N 3 1 384.955 3.790 20 0 GHADMP FC(F)(F)c1ccc2c(c1)C[N@@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001235760268 1041249920 /nfs/dbraw/zinc/24/99/20/1041249920.db2.gz OLXYRYFLRYZTJE-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP FC(F)(F)c1ccc2c(c1)C[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001235760268 1041249939 /nfs/dbraw/zinc/24/99/39/1041249939.db2.gz OLXYRYFLRYZTJE-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001255789159 1041294526 /nfs/dbraw/zinc/29/45/26/1041294526.db2.gz AJWVVRXLBYWZPO-AGILITTLSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001255789159 1041294534 /nfs/dbraw/zinc/29/45/34/1041294534.db2.gz AJWVVRXLBYWZPO-AGILITTLSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001255789159 1041294543 /nfs/dbraw/zinc/29/45/43/1041294543.db2.gz AJWVVRXLBYWZPO-AGILITTLSA-N 2 1 379.548 3.544 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@H]2C1 ZINC001255958593 1041436597 /nfs/dbraw/zinc/43/65/97/1041436597.db2.gz DQAFTZJGKMBSEP-DSKINZAPSA-N 2 1 396.579 3.788 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001255961163 1041439744 /nfs/dbraw/zinc/43/97/44/1041439744.db2.gz VHMPGAOUYVCFFA-FGCOXFRFSA-N 2 1 391.644 3.567 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OC(C)C)c(Br)c1)C1CC[NH2+]CC1 ZINC001235936284 1041441425 /nfs/dbraw/zinc/44/14/25/1041441425.db2.gz APJVYOKTNYJEPF-UHFFFAOYSA-N 2 1 399.373 3.827 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001255962703 1041443983 /nfs/dbraw/zinc/44/39/83/1041443983.db2.gz LHPROMXFYJNNQT-IBGZPJMESA-N 2 1 384.568 3.785 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001255962703 1041443992 /nfs/dbraw/zinc/44/39/92/1041443992.db2.gz LHPROMXFYJNNQT-IBGZPJMESA-N 2 1 384.568 3.785 20 0 GHADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc(OC)c1OCc1ccccc1 ZINC001235956510 1041463128 /nfs/dbraw/zinc/46/31/28/1041463128.db2.gz FFBSQVMOCDEFQQ-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc(OC)c1OCc1ccccc1 ZINC001235956510 1041463139 /nfs/dbraw/zinc/46/31/39/1041463139.db2.gz FFBSQVMOCDEFQQ-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP Oc1cccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1Br ZINC001235974526 1041479886 /nfs/dbraw/zinc/47/98/86/1041479886.db2.gz RELWPILYGAPHLR-UHFFFAOYSA-N 2 1 387.321 3.792 20 0 GHADMP Oc1cccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1Br ZINC001235974526 1041479892 /nfs/dbraw/zinc/47/98/92/1041479892.db2.gz RELWPILYGAPHLR-UHFFFAOYSA-N 2 1 387.321 3.792 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CCC(C)([NH+]4CCC4)CC3)CC2)cc1 ZINC001256070404 1041505516 /nfs/dbraw/zinc/50/55/16/1041505516.db2.gz YMIZULZJGXWUIF-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]1(C[NH2+]C1CC[NH+](C2CC2)CC1)CC1CC1 ZINC001256071568 1041506727 /nfs/dbraw/zinc/50/67/27/1041506727.db2.gz DRWZNJQVYBHIDO-JOCHJYFZSA-N 2 1 377.573 3.773 20 0 GHADMP O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256078549 1041513403 /nfs/dbraw/zinc/51/34/03/1041513403.db2.gz ZCPIYWPZHUMBIT-HSZRJFAPSA-N 2 1 393.575 3.689 20 0 GHADMP Fc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001236066092 1041519375 /nfs/dbraw/zinc/51/93/75/1041519375.db2.gz KHDIUUGYMFSCFJ-UHFFFAOYSA-N 2 1 379.401 3.770 20 0 GHADMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)C1 ZINC001236079669 1041524802 /nfs/dbraw/zinc/52/48/02/1041524802.db2.gz PKUNVIXTMZSAPO-OAQYLSRUSA-N 2 1 399.966 3.774 20 0 GHADMP FC(F)(F)c1cccc2c1CC[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)C2 ZINC001236085223 1041525600 /nfs/dbraw/zinc/52/56/00/1041525600.db2.gz LFMFCSLPALJBRK-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP FC(F)(F)c1cccc2c1CC[N@@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)C2 ZINC001236085223 1041525614 /nfs/dbraw/zinc/52/56/14/1041525614.db2.gz LFMFCSLPALJBRK-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236099367 1041535171 /nfs/dbraw/zinc/53/51/71/1041535171.db2.gz XUEPKFGTMWWWGN-GOTSBHOMSA-N 2 1 378.516 3.644 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001236212926 1041623977 /nfs/dbraw/zinc/62/39/77/1041623977.db2.gz MSVVCJLTIDDDDP-QFIPXVFZSA-N 2 1 383.967 3.951 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)cc1 ZINC001236228001 1041634088 /nfs/dbraw/zinc/63/40/88/1041634088.db2.gz PROIQMAUZZTUQD-UHFFFAOYSA-N 2 1 382.504 3.511 20 0 GHADMP C[NH+]1CCC([NH2+]CC2(CC3CCC3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256199375 1041645045 /nfs/dbraw/zinc/64/50/45/1041645045.db2.gz NYKPFEJMWVFNSQ-UHFFFAOYSA-N 2 1 379.589 3.878 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001256225285 1041660260 /nfs/dbraw/zinc/66/02/60/1041660260.db2.gz TZYXAOVPUOKTOB-HNNXBMFYSA-N 2 1 394.357 3.900 20 0 GHADMP Fc1cc(Br)c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1Cl ZINC001236321772 1041669889 /nfs/dbraw/zinc/66/98/89/1041669889.db2.gz PNPBPAHXRLAAJI-AOOOYVTPSA-N 2 1 379.676 3.812 20 0 GHADMP Fc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(F)c1Cl ZINC001236321772 1041669895 /nfs/dbraw/zinc/66/98/95/1041669895.db2.gz PNPBPAHXRLAAJI-AOOOYVTPSA-N 2 1 379.676 3.812 20 0 GHADMP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc(Br)c1O ZINC001236373387 1041686254 /nfs/dbraw/zinc/68/62/54/1041686254.db2.gz HEBHGLAKRIYUEO-AWEZNQCLSA-N 2 1 397.357 3.908 20 0 GHADMP Oc1ccc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cc1 ZINC001236377813 1041688719 /nfs/dbraw/zinc/68/87/19/1041688719.db2.gz MXJUSMAFBMOTBJ-UHFFFAOYSA-N 2 1 375.310 3.909 20 0 GHADMP Oc1ccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cc1 ZINC001236377813 1041688724 /nfs/dbraw/zinc/68/87/24/1041688724.db2.gz MXJUSMAFBMOTBJ-UHFFFAOYSA-N 2 1 375.310 3.909 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296714 1041690037 /nfs/dbraw/zinc/69/00/37/1041690037.db2.gz RESKYVWTQZLYIZ-SFTDATJTSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296714 1041690039 /nfs/dbraw/zinc/69/00/39/1041690039.db2.gz RESKYVWTQZLYIZ-SFTDATJTSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296714 1041690042 /nfs/dbraw/zinc/69/00/42/1041690042.db2.gz RESKYVWTQZLYIZ-SFTDATJTSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296712 1041690331 /nfs/dbraw/zinc/69/03/31/1041690331.db2.gz RESKYVWTQZLYIZ-NHCUHLMSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296712 1041690335 /nfs/dbraw/zinc/69/03/35/1041690335.db2.gz RESKYVWTQZLYIZ-NHCUHLMSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296712 1041690339 /nfs/dbraw/zinc/69/03/39/1041690339.db2.gz RESKYVWTQZLYIZ-NHCUHLMSSA-N 2 1 399.579 3.840 20 0 GHADMP COC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1F ZINC001236385139 1041693551 /nfs/dbraw/zinc/69/35/51/1041693551.db2.gz PBMLPNFZARGBEM-UHFFFAOYSA-N 2 1 388.458 3.753 20 0 GHADMP Fc1cccc(CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001236401654 1041702609 /nfs/dbraw/zinc/70/26/09/1041702609.db2.gz QZRYLRZNQXKKQT-JOCHJYFZSA-N 2 1 381.539 3.902 20 0 GHADMP CC[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236411133 1041705627 /nfs/dbraw/zinc/70/56/27/1041705627.db2.gz MXWYSXTXTPQRQN-GFCCVEGCSA-N 2 1 381.236 3.779 20 0 GHADMP Clc1ccc(C[N@H+](Cc2c[nH]c3ncnc(Cl)c23)C2CC[NH2+]CC2)cc1 ZINC001236454358 1041719461 /nfs/dbraw/zinc/71/94/61/1041719461.db2.gz GKNZJGUXKMNVHP-UHFFFAOYSA-N 2 1 390.318 3.971 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2c[nH]c3ncnc(Cl)c23)C2CC[NH2+]CC2)cc1 ZINC001236454358 1041719470 /nfs/dbraw/zinc/71/94/70/1041719470.db2.gz GKNZJGUXKMNVHP-UHFFFAOYSA-N 2 1 390.318 3.971 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OC)c(OC2CCCC2)c1)C1CC[NH2+]CC1 ZINC001236460957 1041723386 /nfs/dbraw/zinc/72/33/86/1041723386.db2.gz IEOIAUHOXQGKKW-UHFFFAOYSA-N 2 1 376.541 3.607 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OC)c(OC2CCCC2)c1)C1CC[NH2+]CC1 ZINC001236460957 1041723394 /nfs/dbraw/zinc/72/33/94/1041723394.db2.gz IEOIAUHOXQGKKW-UHFFFAOYSA-N 2 1 376.541 3.607 20 0 GHADMP O=C(c1ccccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[NH2+]CC1 ZINC001236477208 1041732845 /nfs/dbraw/zinc/73/28/45/1041732845.db2.gz ZKBMHARUVHDNAC-YADHBBJMSA-N 2 1 387.527 3.552 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001256456226 1041740286 /nfs/dbraw/zinc/74/02/86/1041740286.db2.gz GZYJVUZZASPIHA-HKUYNNGSSA-N 2 1 388.556 3.736 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc3c(c2)CCCO3)C2CC[NH2+]CC2)cc1F ZINC001236517250 1041750618 /nfs/dbraw/zinc/75/06/18/1041750618.db2.gz ROCJRJJILWBREU-UHFFFAOYSA-N 2 1 384.495 3.914 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)CCCO3)C2CC[NH2+]CC2)cc1F ZINC001236517250 1041750624 /nfs/dbraw/zinc/75/06/24/1041750624.db2.gz ROCJRJJILWBREU-UHFFFAOYSA-N 2 1 384.495 3.914 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236562829 1041764194 /nfs/dbraw/zinc/76/41/94/1041764194.db2.gz YHEKHRULCTWRDC-YHBQERECSA-N 2 1 395.547 3.963 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)c(N3CCOCC3)c2)C2CCCC2)CC1 ZINC001236573876 1041766841 /nfs/dbraw/zinc/76/68/41/1041766841.db2.gz IJIUQJHENUVVGX-KESTWPANSA-N 2 1 375.532 3.677 20 0 GHADMP FC(F)Oc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1OC(F)F ZINC001236597734 1041773009 /nfs/dbraw/zinc/77/30/09/1041773009.db2.gz DJTHDLSLSQSKKX-CYBMUJFWSA-N 2 1 376.394 3.853 20 0 GHADMP FC(F)Oc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc1OC(F)F ZINC001236597734 1041773013 /nfs/dbraw/zinc/77/30/13/1041773013.db2.gz DJTHDLSLSQSKKX-CYBMUJFWSA-N 2 1 376.394 3.853 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)ccc1OCc1ccccc1 ZINC001236620401 1041786760 /nfs/dbraw/zinc/78/67/60/1041786760.db2.gz CDRPTCAWSUSZAT-HSZRJFAPSA-N 2 1 379.548 3.571 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624318 1041789668 /nfs/dbraw/zinc/78/96/68/1041789668.db2.gz YDFXILHBQZLGOP-LJQANCHMSA-N 2 1 380.374 3.570 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624318 1041789675 /nfs/dbraw/zinc/78/96/75/1041789675.db2.gz YDFXILHBQZLGOP-LJQANCHMSA-N 2 1 380.374 3.570 20 0 GHADMP Fc1cc(I)cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)c1 ZINC001236638133 1041797512 /nfs/dbraw/zinc/79/75/12/1041797512.db2.gz WCBYIPLDUNCVRU-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236672385 1041819631 /nfs/dbraw/zinc/81/96/31/1041819631.db2.gz RVFWFWKNHQKXMS-AFARHQOCSA-N 2 1 395.547 3.963 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2ccc(-n3nccn3)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236740458 1041868453 /nfs/dbraw/zinc/86/84/53/1041868453.db2.gz AMRQOQPDNBSOTD-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP CCC(CC)[N@@H+](Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782436 1041889704 /nfs/dbraw/zinc/88/97/04/1041889704.db2.gz RLCNSFRCXZYIBM-ARWLJKHPSA-N 2 1 388.600 3.956 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@H]12 ZINC001236822028 1041916904 /nfs/dbraw/zinc/91/69/04/1041916904.db2.gz XVRGVVNNTZHBSA-FHLIZLRMSA-N 2 1 378.358 3.609 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@H]12 ZINC001236822028 1041916906 /nfs/dbraw/zinc/91/69/06/1041916906.db2.gz XVRGVVNNTZHBSA-FHLIZLRMSA-N 2 1 378.358 3.609 20 0 GHADMP CCOc1cncc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001236837741 1041923454 /nfs/dbraw/zinc/92/34/54/1041923454.db2.gz JGZIBTIRQUTKNZ-UHFFFAOYSA-N 2 1 380.536 3.752 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc(-n4cncn4)c2)CC3)c1 ZINC001236878875 1041938422 /nfs/dbraw/zinc/93/84/22/1041938422.db2.gz HUVJVZZSVZQDDE-UHFFFAOYSA-N 2 1 393.560 3.817 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cccc(-n4cncn4)c3)C[C@@H]21 ZINC001236885905 1041939674 /nfs/dbraw/zinc/93/96/74/1041939674.db2.gz UPBYKUAJZGJNLC-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(-n4cncn4)c3)C[C@@H]21 ZINC001236885905 1041939675 /nfs/dbraw/zinc/93/96/75/1041939675.db2.gz UPBYKUAJZGJNLC-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(-n4cncn4)c3)C[C@@H]21 ZINC001236885905 1041939676 /nfs/dbraw/zinc/93/96/76/1041939676.db2.gz UPBYKUAJZGJNLC-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+](CCCCCCO)Cc3ccccc3)c2)CC1 ZINC001236895054 1041943268 /nfs/dbraw/zinc/94/32/68/1041943268.db2.gz UZTKMKMQAZWKBS-UHFFFAOYSA-N 2 1 395.591 3.993 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC(Oc4ccccc4)CC3)ccc2F)CC1 ZINC001236958489 1041969865 /nfs/dbraw/zinc/96/98/65/1041969865.db2.gz ANDBFVVCMTXBHU-UHFFFAOYSA-N 2 1 383.511 3.621 20 0 GHADMP Cc1cccc(-c2ccc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)cn2)c1C ZINC001236993643 1041982115 /nfs/dbraw/zinc/98/21/15/1041982115.db2.gz OCAQXZLDIAHPQU-UHFFFAOYSA-N 2 1 378.564 3.577 20 0 GHADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(-c4ccc(Cl)cc4)nc3)CC2)CC1 ZINC001237008399 1041988642 /nfs/dbraw/zinc/98/86/42/1041988642.db2.gz FUMHAFQFBBHBNM-UHFFFAOYSA-N 2 1 384.955 3.614 20 0 GHADMP C[N@@H+](Cc1ccsc1)Cc1ccc(Br)cc1N1CC[NH+](C)CC1 ZINC001237094532 1042032590 /nfs/dbraw/zinc/03/25/90/1042032590.db2.gz BKYZGNOULQMTTR-UHFFFAOYSA-N 2 1 394.382 3.894 20 0 GHADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001237188046 1042084400 /nfs/dbraw/zinc/08/44/00/1042084400.db2.gz MBDIEJZRAAAEGZ-XMMPIXPASA-N 2 1 379.523 3.715 20 0 GHADMP O=C1N(CCn2ccnc2)CC[C@]12CCC[N@H+](Cc1ccsc1Cl)CC2 ZINC001278070178 1042095360 /nfs/dbraw/zinc/09/53/60/1042095360.db2.gz HWRXQZBTVQKCQD-LJQANCHMSA-N 2 1 392.956 3.503 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(OC(F)F)ccc3Br)C2)CC1 ZINC001237235172 1042099307 /nfs/dbraw/zinc/09/93/07/1042099307.db2.gz JKFLTMGQSCNGKN-UHFFFAOYSA-N 2 1 389.284 3.968 20 0 GHADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001237264483 1042113064 /nfs/dbraw/zinc/11/30/64/1042113064.db2.gz IOYNFLWOLJXMMI-UHFFFAOYSA-N 2 1 377.454 3.790 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1CCc1ccccc1 ZINC001237300391 1042132112 /nfs/dbraw/zinc/13/21/12/1042132112.db2.gz IJJKNJHGYBTBOZ-LOSJGSFVSA-N 2 1 377.576 3.682 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1ccc(Br)cc1Br)CC2 ZINC001237356671 1042166731 /nfs/dbraw/zinc/16/67/31/1042166731.db2.gz MQUKHULPHMAJBA-CQSZACIVSA-N 2 1 388.147 3.915 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001237367543 1042174401 /nfs/dbraw/zinc/17/44/01/1042174401.db2.gz PMMNZUJRMBDIMR-UHFFFAOYSA-N 2 1 384.568 3.971 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)s1 ZINC001237392617 1042186155 /nfs/dbraw/zinc/18/61/55/1042186155.db2.gz OVBLGBQJUNXNGH-YJBOKZPZSA-N 2 1 377.941 3.949 20 0 GHADMP Clc1ncc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)s1 ZINC001237392617 1042186162 /nfs/dbraw/zinc/18/61/62/1042186162.db2.gz OVBLGBQJUNXNGH-YJBOKZPZSA-N 2 1 377.941 3.949 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237547463 1042258912 /nfs/dbraw/zinc/25/89/12/1042258912.db2.gz QIDVJUYPNKMRSC-RDGATRHJSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237547463 1042258916 /nfs/dbraw/zinc/25/89/16/1042258916.db2.gz QIDVJUYPNKMRSC-RDGATRHJSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237547463 1042258918 /nfs/dbraw/zinc/25/89/18/1042258918.db2.gz QIDVJUYPNKMRSC-RDGATRHJSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237547463 1042258919 /nfs/dbraw/zinc/25/89/19/1042258919.db2.gz QIDVJUYPNKMRSC-RDGATRHJSA-N 2 1 391.559 3.929 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237879000 1042406769 /nfs/dbraw/zinc/40/67/69/1042406769.db2.gz IMEAFZUPRCYOTC-HXUWFJFHSA-N 2 1 378.520 3.830 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)c1 ZINC001237879593 1042407003 /nfs/dbraw/zinc/40/70/03/1042407003.db2.gz NVAQAXIHZLBONK-FQEVSTJZSA-N 2 1 379.504 3.745 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)C2 ZINC001237881973 1042408113 /nfs/dbraw/zinc/40/81/13/1042408113.db2.gz NWZYDDUOCSSCBL-DEOSSOPVSA-N 2 1 381.564 3.911 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN(Cc2cccc4c[nH+]cn42)CC3)cs1 ZINC001238103142 1042492782 /nfs/dbraw/zinc/49/27/82/1042492782.db2.gz AOWNMKRXGNGOIF-UHFFFAOYSA-N 2 1 381.549 3.730 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)CC1 ZINC001238103110 1042493011 /nfs/dbraw/zinc/49/30/11/1042493011.db2.gz LAQFYKYRBJEXKQ-UHFFFAOYSA-N 2 1 384.524 3.947 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)CC1 ZINC001238103110 1042493015 /nfs/dbraw/zinc/49/30/15/1042493015.db2.gz LAQFYKYRBJEXKQ-UHFFFAOYSA-N 2 1 384.524 3.947 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238105984 1042493478 /nfs/dbraw/zinc/49/34/78/1042493478.db2.gz WPORGZXECFFTKL-FQEVSTJZSA-N 3 1 396.560 3.651 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CCN(Cc1ccc(F)c(-c3ccccc3)c1)CC2 ZINC001238551858 1042637011 /nfs/dbraw/zinc/63/70/11/1042637011.db2.gz WJKZETOXLMECHJ-UHFFFAOYSA-N 2 1 395.522 3.669 20 0 GHADMP Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc(C)c1OC(C)C ZINC001238753401 1042714289 /nfs/dbraw/zinc/71/42/89/1042714289.db2.gz NQNSDFRFGKTRPA-UHFFFAOYSA-N 2 1 396.579 3.941 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001462655703 1070446967 /nfs/dbraw/zinc/44/69/67/1070446967.db2.gz SBNWSTSOXMJGEV-BZSNNMDCSA-N 2 1 383.536 3.815 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cc2)nc1 ZINC001240397548 1042925972 /nfs/dbraw/zinc/92/59/72/1042925972.db2.gz FCPCGBKCWZZXBM-HXUWFJFHSA-N 2 1 378.564 3.870 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)nc1 ZINC001240397548 1042925974 /nfs/dbraw/zinc/92/59/74/1042925974.db2.gz FCPCGBKCWZZXBM-HXUWFJFHSA-N 2 1 378.564 3.870 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)nc1 ZINC001240397548 1042925976 /nfs/dbraw/zinc/92/59/76/1042925976.db2.gz FCPCGBKCWZZXBM-HXUWFJFHSA-N 2 1 378.564 3.870 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)CC1 ZINC001240867486 1042961169 /nfs/dbraw/zinc/96/11/69/1042961169.db2.gz WAQFICZMKNHTKO-UHFFFAOYSA-N 3 1 391.559 3.598 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291562512 1043344631 /nfs/dbraw/zinc/34/46/31/1043344631.db2.gz GPOBGNPMKVXHQU-RTBURBONSA-N 2 1 392.636 3.833 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)cn21 ZINC001256530244 1043461294 /nfs/dbraw/zinc/46/12/94/1043461294.db2.gz AOKNNYRQEPNGRJ-NQIIRXRSSA-N 2 1 377.536 3.995 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)cn21 ZINC001256530244 1043461298 /nfs/dbraw/zinc/46/12/98/1043461298.db2.gz AOKNNYRQEPNGRJ-NQIIRXRSSA-N 2 1 377.536 3.995 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256534578 1043469786 /nfs/dbraw/zinc/46/97/86/1043469786.db2.gz SGORUFWZXHDDPV-LEOXJPRUSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256534578 1043469799 /nfs/dbraw/zinc/46/97/99/1043469799.db2.gz SGORUFWZXHDDPV-LEOXJPRUSA-N 2 1 395.522 3.683 20 0 GHADMP COc1ccc(CC[N@H+](C[C@H](C)O)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256535718 1043477255 /nfs/dbraw/zinc/47/72/55/1043477255.db2.gz CHPADGQUORVULT-HFMPRLQTSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256535718 1043477271 /nfs/dbraw/zinc/47/72/71/1043477271.db2.gz CHPADGQUORVULT-HFMPRLQTSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256535718 1043477285 /nfs/dbraw/zinc/47/72/85/1043477285.db2.gz CHPADGQUORVULT-HFMPRLQTSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256535718 1043477304 /nfs/dbraw/zinc/47/73/04/1043477304.db2.gz CHPADGQUORVULT-HFMPRLQTSA-N 2 1 396.575 3.974 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256537257 1043484813 /nfs/dbraw/zinc/48/48/13/1043484813.db2.gz NHLNPYAKZJTKHX-KNQAVFIVSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256537257 1043484822 /nfs/dbraw/zinc/48/48/22/1043484822.db2.gz NHLNPYAKZJTKHX-KNQAVFIVSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541204 1043490130 /nfs/dbraw/zinc/49/01/30/1043490130.db2.gz IBNKTVNNOARTTK-NFBKMPQASA-N 2 1 395.591 3.907 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541204 1043490148 /nfs/dbraw/zinc/49/01/48/1043490148.db2.gz IBNKTVNNOARTTK-NFBKMPQASA-N 2 1 395.591 3.907 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541769 1043494476 /nfs/dbraw/zinc/49/44/76/1043494476.db2.gz NFWBVZMIEHAKGX-JWRIFHQMSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541769 1043494483 /nfs/dbraw/zinc/49/44/83/1043494483.db2.gz NFWBVZMIEHAKGX-JWRIFHQMSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256541769 1043494490 /nfs/dbraw/zinc/49/44/90/1043494490.db2.gz NFWBVZMIEHAKGX-JWRIFHQMSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256541769 1043494503 /nfs/dbraw/zinc/49/45/03/1043494503.db2.gz NFWBVZMIEHAKGX-JWRIFHQMSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544766 1043499117 /nfs/dbraw/zinc/49/91/17/1043499117.db2.gz OKDUCYWJMYDXGM-RYFAJOAYSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256544766 1043499121 /nfs/dbraw/zinc/49/91/21/1043499121.db2.gz OKDUCYWJMYDXGM-RYFAJOAYSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CCN1Cc1ccccc1 ZINC001256550637 1043514011 /nfs/dbraw/zinc/51/40/11/1043514011.db2.gz MYOLRAKVDUBVBC-OUJCMCIWSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256550637 1043514022 /nfs/dbraw/zinc/51/40/22/1043514022.db2.gz MYOLRAKVDUBVBC-OUJCMCIWSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256550637 1043514033 /nfs/dbraw/zinc/51/40/33/1043514033.db2.gz MYOLRAKVDUBVBC-OUJCMCIWSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550637 1043514039 /nfs/dbraw/zinc/51/40/39/1043514039.db2.gz MYOLRAKVDUBVBC-OUJCMCIWSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550637 1043514049 /nfs/dbraw/zinc/51/40/49/1043514049.db2.gz MYOLRAKVDUBVBC-OUJCMCIWSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H](N(c2ncccc2F)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552775 1043517895 /nfs/dbraw/zinc/51/78/95/1043517895.db2.gz CZMWKZVTMLLSJU-WIYYLYMNSA-N 2 1 382.527 3.832 20 0 GHADMP COc1ccc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC001256553075 1043518960 /nfs/dbraw/zinc/51/89/60/1043518960.db2.gz DASSOJTWOXNKJQ-UGKGYDQZSA-N 2 1 394.563 3.702 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001256553595 1043520379 /nfs/dbraw/zinc/52/03/79/1043520379.db2.gz GXENHFMSGVQIPS-FPOVZHCZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001256553595 1043520391 /nfs/dbraw/zinc/52/03/91/1043520391.db2.gz GXENHFMSGVQIPS-FPOVZHCZSA-N 2 1 395.547 3.987 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@](F)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256554482 1043523059 /nfs/dbraw/zinc/52/30/59/1043523059.db2.gz HURPTOSUCXACDV-NRFANRHFSA-N 2 1 385.568 3.968 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256557021 1043528128 /nfs/dbraw/zinc/52/81/28/1043528128.db2.gz KRRFVVPVOYADLV-HLAWJBBLSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256557021 1043528137 /nfs/dbraw/zinc/52/81/37/1043528137.db2.gz KRRFVVPVOYADLV-HLAWJBBLSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256557021 1043528140 /nfs/dbraw/zinc/52/81/40/1043528140.db2.gz KRRFVVPVOYADLV-HLAWJBBLSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256557021 1043528144 /nfs/dbraw/zinc/52/81/44/1043528144.db2.gz KRRFVVPVOYADLV-HLAWJBBLSA-N 2 1 381.520 3.596 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557634 1043530828 /nfs/dbraw/zinc/53/08/28/1043530828.db2.gz NXEDWOFDNRJGLA-NFBKMPQASA-N 2 1 395.591 3.764 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256557634 1043530830 /nfs/dbraw/zinc/53/08/30/1043530830.db2.gz NXEDWOFDNRJGLA-NFBKMPQASA-N 2 1 395.591 3.764 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256558961 1043532702 /nfs/dbraw/zinc/53/27/02/1043532702.db2.gz WXKYUBKBLUBMME-IFMALSPDSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256558961 1043532707 /nfs/dbraw/zinc/53/27/07/1043532707.db2.gz WXKYUBKBLUBMME-IFMALSPDSA-N 2 1 383.580 3.762 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256558821 1043532862 /nfs/dbraw/zinc/53/28/62/1043532862.db2.gz WDEZGOXTXUVDEV-TZIWHRDSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256558821 1043532867 /nfs/dbraw/zinc/53/28/67/1043532867.db2.gz WDEZGOXTXUVDEV-TZIWHRDSSA-N 2 1 380.536 3.681 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001256605207 1043569600 /nfs/dbraw/zinc/56/96/00/1043569600.db2.gz XXRSKQSBJXSGQR-KSEOMHKRSA-N 2 1 397.563 3.662 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]2CCCC[C@@H]12 ZINC001256606017 1043570765 /nfs/dbraw/zinc/57/07/65/1043570765.db2.gz OYRDJSWZEGQCHQ-MZYLBHOOSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]2CCCC[C@@H]12 ZINC001256606017 1043570771 /nfs/dbraw/zinc/57/07/71/1043570771.db2.gz OYRDJSWZEGQCHQ-MZYLBHOOSA-N 2 1 384.564 3.952 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)cc1 ZINC001256611916 1043576379 /nfs/dbraw/zinc/57/63/79/1043576379.db2.gz ZTFFHHFILCONDD-NOZRDPDXSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)cc1 ZINC001256611916 1043576385 /nfs/dbraw/zinc/57/63/85/1043576385.db2.gz ZTFFHHFILCONDD-NOZRDPDXSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)CCO2)cc1 ZINC001256792343 1043653612 /nfs/dbraw/zinc/65/36/12/1043653612.db2.gz JACOEURTEZVZEV-ZGFBMJKBSA-N 2 1 397.607 3.835 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCO[C@@H](c4ccccc4)C3)C2)C1 ZINC001256807385 1043662134 /nfs/dbraw/zinc/66/21/34/1043662134.db2.gz AJHSSIIPZLTHHL-UEQSERJNSA-N 2 1 384.564 3.587 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCO[C@@H](c4ccccc4)C3)C2)C1 ZINC001256807385 1043662139 /nfs/dbraw/zinc/66/21/39/1043662139.db2.gz AJHSSIIPZLTHHL-UEQSERJNSA-N 2 1 384.564 3.587 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCO[C@@H](c4ccccc4)C3)C2)C1 ZINC001256807385 1043662148 /nfs/dbraw/zinc/66/21/48/1043662148.db2.gz AJHSSIIPZLTHHL-UEQSERJNSA-N 2 1 384.564 3.587 20 0 GHADMP C[C@H](Cc1ccccc1Br)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001256838445 1043688467 /nfs/dbraw/zinc/68/84/67/1043688467.db2.gz SMEGGEXLUMUBOO-OAHLLOKOSA-N 3 1 384.406 3.855 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256863324 1043708867 /nfs/dbraw/zinc/70/88/67/1043708867.db2.gz XRWMVNOQJDJVOQ-PKTZIBPZSA-N 2 1 393.531 3.862 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256902797 1043730772 /nfs/dbraw/zinc/73/07/72/1043730772.db2.gz WHTFYOAOPLNBHV-LJQANCHMSA-N 2 1 379.552 3.595 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256902797 1043730777 /nfs/dbraw/zinc/73/07/77/1043730777.db2.gz WHTFYOAOPLNBHV-LJQANCHMSA-N 2 1 379.552 3.595 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1)c1cccc(F)c1 ZINC001256904206 1043732899 /nfs/dbraw/zinc/73/28/99/1043732899.db2.gz FHSXMBRSDKITLC-ACRUOGEOSA-N 2 1 387.543 3.863 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1)c1cccc(F)c1 ZINC001256904206 1043732911 /nfs/dbraw/zinc/73/29/11/1043732911.db2.gz FHSXMBRSDKITLC-ACRUOGEOSA-N 2 1 387.543 3.863 20 0 GHADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292562748 1043787923 /nfs/dbraw/zinc/78/79/23/1043787923.db2.gz JMAVSYDXPMEMSS-OAQYLSRUSA-N 2 1 382.552 3.910 20 0 GHADMP CCCN(C(=O)Cn1cc[nH+]c1C(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292562748 1043787935 /nfs/dbraw/zinc/78/79/35/1043787935.db2.gz JMAVSYDXPMEMSS-OAQYLSRUSA-N 2 1 382.552 3.910 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001257071003 1043831552 /nfs/dbraw/zinc/83/15/52/1043831552.db2.gz ZGGNATYHDGJEPT-VQIMIIECSA-N 2 1 398.469 3.991 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCN1C(=O)OC(C)(C)C ZINC001257119908 1043864884 /nfs/dbraw/zinc/86/48/84/1043864884.db2.gz XIUFMKXUTPHOSV-YXIAPDDASA-N 2 1 399.579 3.885 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCN1C(=O)OC(C)(C)C ZINC001257119908 1043864905 /nfs/dbraw/zinc/86/49/05/1043864905.db2.gz XIUFMKXUTPHOSV-YXIAPDDASA-N 2 1 399.579 3.885 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001257144607 1043894296 /nfs/dbraw/zinc/89/42/96/1043894296.db2.gz HIVIVWBCYLWREI-DENIHFKCSA-N 2 1 380.532 3.906 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C(C)C)ccc12 ZINC001257213829 1043939079 /nfs/dbraw/zinc/93/90/79/1043939079.db2.gz RRCTUFSBTDCERA-QFIPXVFZSA-N 2 1 399.535 3.527 20 0 GHADMP COc1ccc(C[C@H](C)N(C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268547 1043949549 /nfs/dbraw/zinc/94/95/49/1043949549.db2.gz NFBZFOFPBZFATH-GBXCKJPGSA-N 2 1 382.548 3.849 20 0 GHADMP COc1ccc(C[C@H](C)N(C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268547 1043949557 /nfs/dbraw/zinc/94/95/57/1043949557.db2.gz NFBZFOFPBZFATH-GBXCKJPGSA-N 2 1 382.548 3.849 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001257566000 1044050136 /nfs/dbraw/zinc/05/01/36/1044050136.db2.gz VPGPJIVOOMOLDZ-CQSZACIVSA-N 2 1 380.330 3.510 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001257774047 1044165037 /nfs/dbraw/zinc/16/50/37/1044165037.db2.gz JYTMYTDIQFFLOW-ZUEZHPSSSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001257774047 1044165041 /nfs/dbraw/zinc/16/50/41/1044165041.db2.gz JYTMYTDIQFFLOW-ZUEZHPSSSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C2)C1 ZINC001257774047 1044165045 /nfs/dbraw/zinc/16/50/45/1044165045.db2.gz JYTMYTDIQFFLOW-ZUEZHPSSSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)CC1 ZINC001257815244 1044196414 /nfs/dbraw/zinc/19/64/14/1044196414.db2.gz KXQZVGITPDEGID-WMZHIEFXSA-N 2 1 391.600 3.974 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817767 1044199250 /nfs/dbraw/zinc/19/92/50/1044199250.db2.gz DXLMZQNKEYLOAI-UGKGYDQZSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001258011954 1044336468 /nfs/dbraw/zinc/33/64/68/1044336468.db2.gz OKSCRMCYJUPNOB-JOCHJYFZSA-N 2 1 389.609 3.797 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258010449 1044336672 /nfs/dbraw/zinc/33/66/72/1044336672.db2.gz APNOCQPSYNGWEJ-JOCHJYFZSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCCC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001258012979 1044338257 /nfs/dbraw/zinc/33/82/57/1044338257.db2.gz JXBGLFWLVKYEJO-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCCN3C(=O)OC(C)(C)C)CC1 ZINC001258013265 1044340014 /nfs/dbraw/zinc/34/00/14/1044340014.db2.gz NLWKGFVFHSBWSW-JOCHJYFZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001258014228 1044341061 /nfs/dbraw/zinc/34/10/61/1044341061.db2.gz GEFXCGHOPPZAMX-ZTCOLXNVSA-N 2 1 384.612 3.734 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cn21 ZINC001258138260 1044424197 /nfs/dbraw/zinc/42/41/97/1044424197.db2.gz UXZNTOPHTWDKKW-UHFFFAOYSA-N 2 1 377.536 3.649 20 0 GHADMP COc1ccc(C[NH+]2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC001258146184 1044435999 /nfs/dbraw/zinc/43/59/99/1044435999.db2.gz RJYVLOGGJKGUSY-UHFFFAOYSA-N 2 1 393.575 3.520 20 0 GHADMP CCCC[N@@H+](C)CCn1c([C@H](C)CC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001294215845 1044528474 /nfs/dbraw/zinc/52/84/74/1044528474.db2.gz VVMJFASNVHRQHZ-UXHICEINSA-N 2 1 390.620 3.588 20 0 GHADMP CCCCC(CCCC)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258386353 1044528438 /nfs/dbraw/zinc/52/84/38/1044528438.db2.gz XYYURIJMXDOARK-DHIUTWEWSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCC(CCCC)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258386353 1044528454 /nfs/dbraw/zinc/52/84/54/1044528454.db2.gz XYYURIJMXDOARK-DHIUTWEWSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCC(CCCC)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258386353 1044528464 /nfs/dbraw/zinc/52/84/64/1044528464.db2.gz XYYURIJMXDOARK-DHIUTWEWSA-N 2 1 379.633 3.996 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCN(c3ccccc3)CC1)[C@@H]2C ZINC001258516014 1044591978 /nfs/dbraw/zinc/59/19/78/1044591978.db2.gz OIPLCAWHLSLYJF-LJQANCHMSA-N 2 1 381.568 3.769 20 0 GHADMP CC(C)N1CCOC[C@]2(CCC[N@H+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523801 1044601794 /nfs/dbraw/zinc/60/17/94/1044601794.db2.gz JWZJSMHLGSNKBQ-JOCHJYFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523801 1044601798 /nfs/dbraw/zinc/60/17/98/1044601798.db2.gz JWZJSMHLGSNKBQ-JOCHJYFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523801 1044601805 /nfs/dbraw/zinc/60/18/05/1044601805.db2.gz JWZJSMHLGSNKBQ-JOCHJYFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523801 1044601811 /nfs/dbraw/zinc/60/18/11/1044601811.db2.gz JWZJSMHLGSNKBQ-JOCHJYFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523801 1044601817 /nfs/dbraw/zinc/60/18/17/1044601817.db2.gz JWZJSMHLGSNKBQ-JOCHJYFZSA-N 2 1 394.600 3.521 20 0 GHADMP O=C1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001258582198 1044656761 /nfs/dbraw/zinc/65/67/61/1044656761.db2.gz AITNRVWQXWPNTL-HSZRJFAPSA-N 2 1 395.591 3.908 20 0 GHADMP CC1(C)CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001258605367 1044667159 /nfs/dbraw/zinc/66/71/59/1044667159.db2.gz UQKSILYRUPYOKS-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H](Cc1cccnc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001258624140 1044673174 /nfs/dbraw/zinc/67/31/74/1044673174.db2.gz DXPWKOXFNMLTAI-REWPJTCUSA-N 2 1 379.548 3.768 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697942 1044720333 /nfs/dbraw/zinc/72/03/33/1044720333.db2.gz UITOFGALDAXVFH-SSXICUSMSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697942 1044720342 /nfs/dbraw/zinc/72/03/42/1044720342.db2.gz UITOFGALDAXVFH-SSXICUSMSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697942 1044720350 /nfs/dbraw/zinc/72/03/50/1044720350.db2.gz UITOFGALDAXVFH-SSXICUSMSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697942 1044720352 /nfs/dbraw/zinc/72/03/52/1044720352.db2.gz UITOFGALDAXVFH-SSXICUSMSA-N 2 1 385.600 3.668 20 0 GHADMP CCn1ncc2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]2COc1cccnc1 ZINC001258910589 1044864077 /nfs/dbraw/zinc/86/40/77/1044864077.db2.gz RYZBFHJPGHWHSP-PMACEKPBSA-N 2 1 399.583 3.787 20 0 GHADMP CCOC[C@@H]1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2ncn(CC3CC3)c21 ZINC001258911073 1044866352 /nfs/dbraw/zinc/86/63/52/1044866352.db2.gz ZRSFZSFFKAKKAY-ICSRJNTNSA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2ncn(CC3CC3)c21 ZINC001258911073 1044866371 /nfs/dbraw/zinc/86/63/71/1044866371.db2.gz ZRSFZSFFKAKKAY-ICSRJNTNSA-N 2 1 376.589 3.739 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC1 ZINC001296529985 1045333508 /nfs/dbraw/zinc/33/35/08/1045333508.db2.gz LZMZBGGYDAFZFZ-UHFFFAOYSA-N 2 1 396.373 3.817 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC001261735883 1046068564 /nfs/dbraw/zinc/06/85/64/1046068564.db2.gz UMWDJYCRSMDYAG-VJBWXMMDSA-N 2 1 395.522 3.567 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC001261735883 1046068578 /nfs/dbraw/zinc/06/85/78/1046068578.db2.gz UMWDJYCRSMDYAG-VJBWXMMDSA-N 2 1 395.522 3.567 20 0 GHADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001301380665 1046516820 /nfs/dbraw/zinc/51/68/20/1046516820.db2.gz ZZTKVJNKEWHMDM-XZOQPEGZSA-N 2 1 397.538 3.627 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001301380665 1046516834 /nfs/dbraw/zinc/51/68/34/1046516834.db2.gz ZZTKVJNKEWHMDM-XZOQPEGZSA-N 2 1 397.538 3.627 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C2)c1 ZINC001301784143 1046702349 /nfs/dbraw/zinc/70/23/49/1046702349.db2.gz ZAJDNOVHYFPQOQ-QHCPKHFHSA-N 2 1 386.499 3.560 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001301866180 1046734422 /nfs/dbraw/zinc/73/44/22/1046734422.db2.gz AFIWGCOUKCMDNH-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001302038073 1046790329 /nfs/dbraw/zinc/79/03/29/1046790329.db2.gz ZYZGVEXQDPCYTB-XUZZJYLKSA-N 2 1 391.559 3.771 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3CC[NH+]3CCC(C)CC3)CC2)[nH+]c1 ZINC001302477183 1046950343 /nfs/dbraw/zinc/95/03/43/1046950343.db2.gz PVCKQDYOYBRFQJ-JOCHJYFZSA-N 2 1 398.595 3.719 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001302593849 1046994228 /nfs/dbraw/zinc/99/42/28/1046994228.db2.gz MITILSYBPWETCJ-PKTZIBPZSA-N 2 1 383.580 3.779 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001302593850 1046994264 /nfs/dbraw/zinc/99/42/64/1046994264.db2.gz MITILSYBPWETCJ-XZOQPEGZSA-N 2 1 383.580 3.779 20 0 GHADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000382027020 1047007335 /nfs/dbraw/zinc/00/73/35/1047007335.db2.gz BLBGYRGATZIXTL-WSOYEBOPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3[C@H](N[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]3C2)cc1 ZINC000382027020 1047007352 /nfs/dbraw/zinc/00/73/52/1047007352.db2.gz BLBGYRGATZIXTL-WSOYEBOPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3[C@H](N[C@H]4CC[N@H+](Cc5ccccc5)C4)CC[C@@H]3C2)cc1 ZINC000382027020 1047007370 /nfs/dbraw/zinc/00/73/70/1047007370.db2.gz BLBGYRGATZIXTL-WSOYEBOPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000382027020 1047007382 /nfs/dbraw/zinc/00/73/82/1047007382.db2.gz BLBGYRGATZIXTL-WSOYEBOPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)C2)cc1 ZINC000382027020 1047007399 /nfs/dbraw/zinc/00/73/99/1047007399.db2.gz BLBGYRGATZIXTL-WSOYEBOPSA-N 2 1 375.560 3.761 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000382385896 1047029624 /nfs/dbraw/zinc/02/96/24/1047029624.db2.gz KUDNQDYFVDSRMB-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP CCN(C(=O)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)[C@H](C)c1ccc(F)cc1 ZINC000590933566 1047253247 /nfs/dbraw/zinc/25/32/47/1047253247.db2.gz VBMGCIGLNQPQCQ-MOPGFXCFSA-N 2 1 398.526 3.873 20 0 GHADMP Brc1ccoc1C[NH+]1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279133357 1047727977 /nfs/dbraw/zinc/72/79/77/1047727977.db2.gz RSASDNJPSWWAPX-UHFFFAOYSA-N 2 1 393.329 3.643 20 0 GHADMP Brc1ccoc1C[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279133357 1047727979 /nfs/dbraw/zinc/72/79/79/1047727979.db2.gz RSASDNJPSWWAPX-UHFFFAOYSA-N 2 1 393.329 3.643 20 0 GHADMP Nc1cc(Br)ccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279240910 1047746846 /nfs/dbraw/zinc/74/68/46/1047746846.db2.gz QHBGLSHCNFDIKN-UHFFFAOYSA-N 2 1 378.358 3.872 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(C)cc3Cl)CC2)C1 ZINC001279317499 1047765706 /nfs/dbraw/zinc/76/57/06/1047765706.db2.gz ASUKZPALJSECTP-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(C)cc3Cl)CC2)C1 ZINC001279317499 1047765711 /nfs/dbraw/zinc/76/57/11/1047765711.db2.gz ASUKZPALJSECTP-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)nc1 ZINC001279391758 1047791375 /nfs/dbraw/zinc/79/13/75/1047791375.db2.gz GGDGXOYRXLVRPY-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)nc1 ZINC001279391758 1047791382 /nfs/dbraw/zinc/79/13/82/1047791382.db2.gz GGDGXOYRXLVRPY-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279530777 1047834187 /nfs/dbraw/zinc/83/41/87/1047834187.db2.gz RDHDWAATPDGBSO-CALCHBBNSA-N 2 1 376.976 3.887 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279530777 1047834194 /nfs/dbraw/zinc/83/41/94/1047834194.db2.gz RDHDWAATPDGBSO-CALCHBBNSA-N 2 1 376.976 3.887 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279530777 1047834200 /nfs/dbraw/zinc/83/42/00/1047834200.db2.gz RDHDWAATPDGBSO-CALCHBBNSA-N 2 1 376.976 3.887 20 0 GHADMP Cc1ncsc1CN[C@@]12CC[C@@]([NH2+]CCC3CC[NH+](C)CC3)(C1)CCC2 ZINC001279621489 1047872065 /nfs/dbraw/zinc/87/20/65/1047872065.db2.gz UOLCXBLKLQGYEN-RTWAWAEBSA-N 2 1 376.614 3.708 20 0 GHADMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c1 ZINC001279659350 1047901565 /nfs/dbraw/zinc/90/15/65/1047901565.db2.gz NXGSTZRLQPOEFF-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106180 1047905873 /nfs/dbraw/zinc/90/58/73/1047905873.db2.gz FDQLZVAVWKRWBS-XPWALMASSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106180 1047905880 /nfs/dbraw/zinc/90/58/80/1047905880.db2.gz FDQLZVAVWKRWBS-XPWALMASSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106180 1047905885 /nfs/dbraw/zinc/90/58/85/1047905885.db2.gz FDQLZVAVWKRWBS-XPWALMASSA-N 2 1 385.596 3.915 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001279953215 1048005644 /nfs/dbraw/zinc/00/56/44/1048005644.db2.gz WAGDBUXPNBMITJ-OXQOHEQNSA-N 2 1 398.378 3.616 20 0 GHADMP CCCC[C@H](CC)C[N@@H+]1CCCC2(CC[NH+](CCS(=O)(=O)CC)CC2)C1 ZINC001280073786 1048071701 /nfs/dbraw/zinc/07/17/01/1048071701.db2.gz FNQJPSBSAHPPMT-FQEVSTJZSA-N 2 1 386.646 3.816 20 0 GHADMP CCCC[C@H](CC)C[N@H+]1CCCC2(CC[NH+](CCS(=O)(=O)CC)CC2)C1 ZINC001280073786 1048071714 /nfs/dbraw/zinc/07/17/14/1048071714.db2.gz FNQJPSBSAHPPMT-FQEVSTJZSA-N 2 1 386.646 3.816 20 0 GHADMP CCOC(=O)CCC[N@@H+]1CCC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280157771 1048110274 /nfs/dbraw/zinc/11/02/74/1048110274.db2.gz HVXMDABSQXNJDN-GOSISDBHSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCC[N@H+]1CCC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280157771 1048110278 /nfs/dbraw/zinc/11/02/78/1048110278.db2.gz HVXMDABSQXNJDN-GOSISDBHSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCC[NH+]1CCC[C@@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280157771 1048110281 /nfs/dbraw/zinc/11/02/81/1048110281.db2.gz HVXMDABSQXNJDN-GOSISDBHSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280157771 1048110283 /nfs/dbraw/zinc/11/02/83/1048110283.db2.gz HVXMDABSQXNJDN-GOSISDBHSA-N 2 1 378.479 3.850 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C)cc(SC)c1)CC2 ZINC001280168408 1048112861 /nfs/dbraw/zinc/11/28/61/1048112861.db2.gz VCSICUDJYJYPIU-UHFFFAOYSA-N 2 1 378.582 3.625 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C)cc(SC)c1)CC2 ZINC001280168408 1048112868 /nfs/dbraw/zinc/11/28/68/1048112868.db2.gz VCSICUDJYJYPIU-UHFFFAOYSA-N 2 1 378.582 3.625 20 0 GHADMP CCSCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175270 1048115890 /nfs/dbraw/zinc/11/58/90/1048115890.db2.gz KXTVKSWVCHRNFV-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP CCSCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175270 1048115891 /nfs/dbraw/zinc/11/58/91/1048115891.db2.gz KXTVKSWVCHRNFV-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP CCSCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175270 1048115894 /nfs/dbraw/zinc/11/58/94/1048115894.db2.gz KXTVKSWVCHRNFV-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP CCSCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175270 1048115899 /nfs/dbraw/zinc/11/58/99/1048115899.db2.gz KXTVKSWVCHRNFV-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC[C@]2(CCCN(CC[NH+]3CCCCC3)C2)C1 ZINC001280257764 1048149039 /nfs/dbraw/zinc/14/90/39/1048149039.db2.gz QXWXZFNAVNYIDI-IBGZPJMESA-N 2 1 375.523 3.993 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC[C@]2(CCCN(CC[NH+]3CCCCC3)C2)C1 ZINC001280262161 1048150730 /nfs/dbraw/zinc/15/07/30/1048150730.db2.gz LRDYZFORZMICLD-NRFANRHFSA-N 2 1 376.614 3.615 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1)c1ccccc1 ZINC001307453820 1049290380 /nfs/dbraw/zinc/29/03/80/1049290380.db2.gz ZAVVQAHDOXSBMI-GGAORHGYSA-N 2 1 379.548 3.675 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC001307615340 1049451999 /nfs/dbraw/zinc/45/19/99/1049451999.db2.gz IJFMKKDXIRECOB-VXKWHMMOSA-N 2 1 393.575 3.811 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001307656004 1049482029 /nfs/dbraw/zinc/48/20/29/1049482029.db2.gz CAORWHTZASBAEX-PEARBKPGSA-N 2 1 396.575 3.700 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1)c1ccccc1 ZINC001307865592 1049646937 /nfs/dbraw/zinc/64/69/37/1049646937.db2.gz JQHGTIPPCZPBOS-LADGPHEKSA-N 2 1 397.538 3.642 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1)c1ccccc1 ZINC001307865591 1049647069 /nfs/dbraw/zinc/64/70/69/1049647069.db2.gz JQHGTIPPCZPBOS-ISKFKSNPSA-N 2 1 397.538 3.642 20 0 GHADMP CC(C)C[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)CC1CC[NH+](C)CC1 ZINC001308027560 1049779674 /nfs/dbraw/zinc/77/96/74/1049779674.db2.gz JVHBEFRFCHMGMY-KRWDZBQOSA-N 2 1 395.538 3.784 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001308061843 1049808621 /nfs/dbraw/zinc/80/86/21/1049808621.db2.gz NIEDIEPHKLFJFX-LBPRGKRZSA-N 2 1 390.330 3.772 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC001308246231 1049925581 /nfs/dbraw/zinc/92/55/81/1049925581.db2.gz HTFIUFNDLJOASM-OAQYLSRUSA-N 2 1 379.589 3.878 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC001290900819 1049948543 /nfs/dbraw/zinc/94/85/43/1049948543.db2.gz ZNEPSNFQMSWECQ-JFJDKTSWSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001290900819 1049948546 /nfs/dbraw/zinc/94/85/46/1049948546.db2.gz ZNEPSNFQMSWECQ-JFJDKTSWSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001290900819 1049948548 /nfs/dbraw/zinc/94/85/48/1049948548.db2.gz ZNEPSNFQMSWECQ-JFJDKTSWSA-N 2 1 385.596 3.771 20 0 GHADMP COC(=O)[C@]1(F)CCN(C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308575649 1050016461 /nfs/dbraw/zinc/01/64/61/1050016461.db2.gz BVPUAEDIULRTBH-YADHBBJMSA-N 2 1 376.516 3.512 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC(N3CCOC3=O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308876769 1050135001 /nfs/dbraw/zinc/13/50/01/1050135001.db2.gz GYBGIGMQTFVCGY-DEOSSOPVSA-N 2 1 399.579 3.841 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001327777111 1050275780 /nfs/dbraw/zinc/27/57/80/1050275780.db2.gz JSUVQHUBHPZZCY-QNGOZBTKSA-N 2 1 393.575 3.774 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001331539748 1051318638 /nfs/dbraw/zinc/31/86/38/1051318638.db2.gz PEEPNXSFVKOBEN-UHFFFAOYSA-N 2 1 399.501 3.620 20 0 GHADMP Cn1ncc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cnc21 ZINC001331955645 1051422806 /nfs/dbraw/zinc/42/28/06/1051422806.db2.gz ZQBVBAQBJGIJNM-FRIKZZABSA-N 2 1 375.520 3.644 20 0 GHADMP Cn1nc2c(c1C[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)CSCC2 ZINC001334350302 1051933126 /nfs/dbraw/zinc/93/31/26/1051933126.db2.gz RWLSJBSSDHZAOF-UHFFFAOYSA-N 2 1 396.604 3.698 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc4cc(Br)ccc4o3)C[C@H]2C1 ZINC001334356588 1051933501 /nfs/dbraw/zinc/93/35/01/1051933501.db2.gz NYUJWPQWANIBLV-GZBFAFLISA-N 2 1 378.314 3.752 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC001311314415 1052013705 /nfs/dbraw/zinc/01/37/05/1052013705.db2.gz PCMJIRWNEFRPEK-RTBURBONSA-N 2 1 390.572 3.649 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC001311314413 1052014050 /nfs/dbraw/zinc/01/40/50/1052014050.db2.gz PCMJIRWNEFRPEK-OALUTQOASA-N 2 1 390.572 3.649 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001334971570 1052018683 /nfs/dbraw/zinc/01/86/83/1052018683.db2.gz GZNBXMQJKXAWHN-YSFYHYPLSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@H]2OCCC[C@@H]2C1)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001334971570 1052018704 /nfs/dbraw/zinc/01/87/04/1052018704.db2.gz GZNBXMQJKXAWHN-YSFYHYPLSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001334971570 1052018730 /nfs/dbraw/zinc/01/87/30/1052018730.db2.gz GZNBXMQJKXAWHN-YSFYHYPLSA-N 2 1 394.676 3.697 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C(C)(C)C)C3)cc2)C1 ZINC001311498561 1052204466 /nfs/dbraw/zinc/20/44/66/1052204466.db2.gz QUJJMDBXBLKTRJ-GHTZIAJQSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2)C1 ZINC001311498561 1052204473 /nfs/dbraw/zinc/20/44/73/1052204473.db2.gz QUJJMDBXBLKTRJ-GHTZIAJQSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2)C1 ZINC001311498561 1052204481 /nfs/dbraw/zinc/20/44/81/1052204481.db2.gz QUJJMDBXBLKTRJ-GHTZIAJQSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001311748200 1052371141 /nfs/dbraw/zinc/37/11/41/1052371141.db2.gz ZQFBHRBTAHZHIS-LADGPHEKSA-N 2 1 394.563 3.562 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001312118452 1052582626 /nfs/dbraw/zinc/58/26/26/1052582626.db2.gz GRYUBBRYFSGCRE-BHIFYINESA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)c(N2CCCC2)[nH+]1 ZINC001312479927 1052759959 /nfs/dbraw/zinc/75/99/59/1052759959.db2.gz LTNCDCHQICABAJ-OAQYLSRUSA-N 2 1 399.583 3.587 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)c(N2CCCC2)[nH+]1 ZINC001312479927 1052759964 /nfs/dbraw/zinc/75/99/64/1052759964.db2.gz LTNCDCHQICABAJ-OAQYLSRUSA-N 2 1 399.583 3.587 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)[NH+](CC)CC)cc1 ZINC001312785229 1052868997 /nfs/dbraw/zinc/86/89/97/1052868997.db2.gz DWFQEJAEANSGDB-RBBKRZOGSA-N 2 1 388.600 3.663 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001313872573 1053263959 /nfs/dbraw/zinc/26/39/59/1053263959.db2.gz WZTDDPXBRUHCHW-GUDVDZBRSA-N 2 1 392.636 3.516 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001318395433 1054610242 /nfs/dbraw/zinc/61/02/42/1054610242.db2.gz FGVBCSJFYXKWKA-STZQEDGTSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC001319096051 1055035893 /nfs/dbraw/zinc/03/58/93/1055035893.db2.gz XXNPFTMLENJPGA-NNWRFLSQSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319393528 1055225016 /nfs/dbraw/zinc/22/50/16/1055225016.db2.gz LWPOYQJFYNIXJS-UUOWRZLLSA-N 2 1 381.539 3.986 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001319613179 1055359635 /nfs/dbraw/zinc/35/96/35/1055359635.db2.gz QNRWNXOUJVXPQE-CEWLAPEOSA-N 2 1 389.584 3.832 20 0 GHADMP Cc1c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc2c[nH+]cn21 ZINC001320039901 1055615733 /nfs/dbraw/zinc/61/57/33/1055615733.db2.gz QYJPYNVSGSLMIL-WTIAFYNJSA-N 2 1 388.515 3.673 20 0 GHADMP Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC001321955802 1056458050 /nfs/dbraw/zinc/45/80/50/1056458050.db2.gz ICUHPRQXDFAYPL-UHFFFAOYSA-N 2 1 381.520 3.540 20 0 GHADMP Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)ccc1OCC[NH+]1CCCC1 ZINC001321955802 1056458062 /nfs/dbraw/zinc/45/80/62/1056458062.db2.gz ICUHPRQXDFAYPL-UHFFFAOYSA-N 2 1 381.520 3.540 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3cccc(C[NH+]4CCCC4)c3)CC2)[nH+]c1 ZINC001322043545 1056487624 /nfs/dbraw/zinc/48/76/24/1056487624.db2.gz AJLFFFSUDREHGE-UHFFFAOYSA-N 2 1 378.520 3.841 20 0 GHADMP CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001200623099 1056513252 /nfs/dbraw/zinc/51/32/52/1056513252.db2.gz VPZIACHOPLRZJB-SFHVURJKSA-N 2 1 389.540 3.624 20 0 GHADMP Cc1c(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001323114022 1056924273 /nfs/dbraw/zinc/92/42/73/1056924273.db2.gz GWNKKZPAYSCGTM-JOCHJYFZSA-N 2 1 389.503 3.533 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)N(Cc1ccccc1)c1ccccc1 ZINC001326278373 1057446427 /nfs/dbraw/zinc/44/64/27/1057446427.db2.gz TXBAXUGXOAIFAM-UHFFFAOYSA-N 2 1 377.532 3.685 20 0 GHADMP COc1ccccc1[C@H](CNC(=[NH2+])NCc1ccc(C)cc1)[NH+]1CCCCC1 ZINC000849062622 1057573547 /nfs/dbraw/zinc/57/35/47/1057573547.db2.gz XCPWYIHFEKGLPI-NRFANRHFSA-N 2 1 380.536 3.845 20 0 GHADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000849078886 1057583614 /nfs/dbraw/zinc/58/36/14/1057583614.db2.gz JFOQEBYBFXXXCE-VGSWGCGISA-N 2 1 380.536 3.903 20 0 GHADMP C[S@@](=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC001327211099 1057622195 /nfs/dbraw/zinc/62/21/95/1057622195.db2.gz VHZAUXYBVAMZSD-JIPXPUAJSA-N 2 1 382.573 3.816 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC001440736801 1058602727 /nfs/dbraw/zinc/60/27/27/1058602727.db2.gz HFZOMWAMHPWSLO-RDPSFJRHSA-N 2 1 393.575 3.503 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC001440736801 1058602735 /nfs/dbraw/zinc/60/27/35/1058602735.db2.gz HFZOMWAMHPWSLO-RDPSFJRHSA-N 2 1 393.575 3.503 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC001441312224 1058747870 /nfs/dbraw/zinc/74/78/70/1058747870.db2.gz JMHCDBBFYHJGDS-HKBOAZHASA-N 2 1 385.577 3.593 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001447500849 1059972576 /nfs/dbraw/zinc/97/25/76/1059972576.db2.gz QXGCOFBOJMTNIO-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001447500849 1059972583 /nfs/dbraw/zinc/97/25/83/1059972583.db2.gz QXGCOFBOJMTNIO-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001447500849 1059972591 /nfs/dbraw/zinc/97/25/91/1059972591.db2.gz QXGCOFBOJMTNIO-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001449661876 1060442409 /nfs/dbraw/zinc/44/24/09/1060442409.db2.gz YMMFYBVBBYZEKM-FGCOXFRFSA-N 2 1 397.607 3.868 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001341792941 1060899985 /nfs/dbraw/zinc/89/99/85/1060899985.db2.gz YODOSWGWENCZLC-KAGYGMCKSA-N 2 1 395.547 3.502 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(SCC[NH+]4CCCC4)cc3)C[N@H+]2C1 ZINC001452774905 1061009725 /nfs/dbraw/zinc/00/97/25/1061009725.db2.gz HBRQWVLVPBNGSL-QWFCFKBJSA-N 2 1 387.593 3.933 20 0 GHADMP Brc1ccc(-c2noc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)s1 ZINC001346017100 1061291905 /nfs/dbraw/zinc/29/19/05/1061291905.db2.gz JRESLMCUNSGJSQ-UHFFFAOYSA-N 2 1 397.342 3.526 20 0 GHADMP Brc1ccc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)s1 ZINC001346017100 1061291928 /nfs/dbraw/zinc/29/19/28/1061291928.db2.gz JRESLMCUNSGJSQ-UHFFFAOYSA-N 2 1 397.342 3.526 20 0 GHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001347513548 1062455498 /nfs/dbraw/zinc/45/54/98/1062455498.db2.gz HWELTFWUIGWMPM-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435317185 1062504798 /nfs/dbraw/zinc/50/47/98/1062504798.db2.gz UPDPAEPIOHMAEY-SFHVURJKSA-N 2 1 399.501 3.678 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC)C1)c1cccc(C(F)(F)F)c1 ZINC001457417475 1063160704 /nfs/dbraw/zinc/16/07/04/1063160704.db2.gz UXBSYCCEIWITRL-QZTJIDSGSA-N 2 1 385.474 3.641 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001349510624 1063760089 /nfs/dbraw/zinc/76/00/89/1063760089.db2.gz QVVWMXQDLFYROQ-SFHVURJKSA-N 2 1 390.597 3.728 20 0 GHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c(C)cc1I ZINC001459617002 1064145095 /nfs/dbraw/zinc/14/50/95/1064145095.db2.gz WHVXLUBEFQTZAS-GDBMZVCRSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)cc1I ZINC001459617002 1064145100 /nfs/dbraw/zinc/14/51/00/1064145100.db2.gz WHVXLUBEFQTZAS-GDBMZVCRSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)cc1I ZINC001459617002 1064145105 /nfs/dbraw/zinc/14/51/05/1064145105.db2.gz WHVXLUBEFQTZAS-GDBMZVCRSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C)cc(C2=CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001459782327 1064214551 /nfs/dbraw/zinc/21/45/51/1064214551.db2.gz XRGQGPXVHIMZNJ-DEOSSOPVSA-N 2 1 391.559 3.812 20 0 GHADMP Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001459782327 1064214560 /nfs/dbraw/zinc/21/45/60/1064214560.db2.gz XRGQGPXVHIMZNJ-DEOSSOPVSA-N 2 1 391.559 3.812 20 0 GHADMP CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001460045149 1064371448 /nfs/dbraw/zinc/37/14/48/1064371448.db2.gz CCLBSPVETURMIU-NRFANRHFSA-N 2 1 379.976 3.913 20 0 GHADMP CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC001460045149 1064371452 /nfs/dbraw/zinc/37/14/52/1064371452.db2.gz CCLBSPVETURMIU-NRFANRHFSA-N 2 1 379.976 3.913 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[NH+]3CCC[C@@H](C)C3)C[N@H+]2C1 ZINC001464161621 1064878326 /nfs/dbraw/zinc/87/83/26/1064878326.db2.gz VQYWDAQMEYOKTN-IYRWYFENSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)C[NH+]2C1 ZINC001464161621 1064878338 /nfs/dbraw/zinc/87/83/38/1064878338.db2.gz VQYWDAQMEYOKTN-IYRWYFENSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@H+]3CCC[C@@H](C)C3)C[NH+]2C1 ZINC001464161621 1064878354 /nfs/dbraw/zinc/87/83/54/1064878354.db2.gz VQYWDAQMEYOKTN-IYRWYFENSA-N 2 1 383.580 3.655 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464510392 1065054738 /nfs/dbraw/zinc/05/47/38/1065054738.db2.gz CPIIVUJADVRYFS-YFNKSVMNSA-N 2 1 397.607 3.771 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464510392 1065054746 /nfs/dbraw/zinc/05/47/46/1065054746.db2.gz CPIIVUJADVRYFS-YFNKSVMNSA-N 2 1 397.607 3.771 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001464510392 1065054755 /nfs/dbraw/zinc/05/47/55/1065054755.db2.gz CPIIVUJADVRYFS-YFNKSVMNSA-N 2 1 397.607 3.771 20 0 GHADMP Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N(C)CCC[NH+](C)C)c1 ZINC001546151718 1065397062 /nfs/dbraw/zinc/39/70/62/1065397062.db2.gz FEZJMSGMQXNLSR-BJKOFHAPSA-N 2 1 393.575 3.621 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001465484887 1065656381 /nfs/dbraw/zinc/65/63/81/1065656381.db2.gz RKBNKDSYZRYGFU-NZQKXSOJSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001465484887 1065656387 /nfs/dbraw/zinc/65/63/87/1065656387.db2.gz RKBNKDSYZRYGFU-NZQKXSOJSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001465484887 1065656391 /nfs/dbraw/zinc/65/63/91/1065656391.db2.gz RKBNKDSYZRYGFU-NZQKXSOJSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001466125518 1065990640 /nfs/dbraw/zinc/99/06/40/1065990640.db2.gz DOVGBGAWXDPCAX-UNMCSNQZSA-N 2 1 385.596 3.915 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001467574820 1067366401 /nfs/dbraw/zinc/36/64/01/1067366401.db2.gz BHDHANVEOKJUHK-UHFFFAOYSA-N 2 1 398.595 3.703 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC001467673387 1067410434 /nfs/dbraw/zinc/41/04/34/1067410434.db2.gz BMRNBVGRQBNVNF-ACRUOGEOSA-N 2 1 378.605 3.545 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001467692609 1067424356 /nfs/dbraw/zinc/42/43/56/1067424356.db2.gz PBXPBEJPODAUFJ-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(C)C ZINC001467715836 1067435097 /nfs/dbraw/zinc/43/50/97/1067435097.db2.gz ULUPGPUMDLLIKE-NRFANRHFSA-N 2 1 388.600 3.705 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001468176248 1067620905 /nfs/dbraw/zinc/62/09/05/1067620905.db2.gz QXHYJGFNKCBRGC-UNMCSNQZSA-N 2 1 388.600 3.879 20 0 GHADMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849106106 1067731198 /nfs/dbraw/zinc/73/11/98/1067731198.db2.gz UTOAIDIPDZOXPB-HSZRJFAPSA-N 3 1 397.611 3.562 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001477864910 1078600721 /nfs/dbraw/zinc/60/07/21/1078600721.db2.gz BSUPIGDUPGFNJX-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001477864910 1078600725 /nfs/dbraw/zinc/60/07/25/1078600725.db2.gz BSUPIGDUPGFNJX-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001477864910 1078600733 /nfs/dbraw/zinc/60/07/33/1078600733.db2.gz BSUPIGDUPGFNJX-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP CCC(CC)(CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001468832119 1067904105 /nfs/dbraw/zinc/90/41/05/1067904105.db2.gz VLIYTNCNIRTLCE-PMACEKPBSA-N 2 1 388.600 3.927 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001478040634 1078687197 /nfs/dbraw/zinc/68/71/97/1078687197.db2.gz YCNAAVTZDOHLCD-FCHUYYIVSA-N 2 1 386.584 3.510 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001470094464 1068569158 /nfs/dbraw/zinc/56/91/58/1068569158.db2.gz KWQKOMVTYBYNAH-SXWKCWPCSA-N 2 1 394.563 3.766 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC001470203557 1068623722 /nfs/dbraw/zinc/62/37/22/1068623722.db2.gz WUZDLZRGDDUBQW-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001470206814 1068625472 /nfs/dbraw/zinc/62/54/72/1068625472.db2.gz WFOKUEIIXRHSNF-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460406658 1068954898 /nfs/dbraw/zinc/95/48/98/1068954898.db2.gz HTQVBBAURQBTOG-VQTJNVASSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549453 1068993071 /nfs/dbraw/zinc/99/30/71/1068993071.db2.gz WBWHRYIYKQXFIO-KNQAVFIVSA-N 2 1 385.596 3.864 20 0 GHADMP Cc1cc(Cl)ccc1C1=CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC001460580177 1069006620 /nfs/dbraw/zinc/00/66/20/1069006620.db2.gz IAUOWIRMPPFBPS-UHFFFAOYSA-N 2 1 389.971 3.727 20 0 GHADMP Cc1cc(Cl)ccc1C1=CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC001460580177 1069006636 /nfs/dbraw/zinc/00/66/36/1069006636.db2.gz IAUOWIRMPPFBPS-UHFFFAOYSA-N 2 1 389.971 3.727 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001460671196 1069075155 /nfs/dbraw/zinc/07/51/55/1069075155.db2.gz MQOHKZOSLBVTBY-XMMPIXPASA-N 3 1 387.612 3.577 20 0 GHADMP Cc1ccc([C@H](NC(=O)CN[C@@H](Cn2ccnc2)c2ccccc2)C2CC2)cc1 ZINC001460696145 1069092200 /nfs/dbraw/zinc/09/22/00/1069092200.db2.gz RKRULWVGAPCLEF-UPVQGACJSA-N 2 1 388.515 3.790 20 0 GHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC001460802244 1069190114 /nfs/dbraw/zinc/19/01/14/1069190114.db2.gz RHSOTWRRXIPFPD-SFHVURJKSA-N 2 1 392.478 3.905 20 0 GHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC001460802244 1069190120 /nfs/dbraw/zinc/19/01/20/1069190120.db2.gz RHSOTWRRXIPFPD-SFHVURJKSA-N 2 1 392.478 3.905 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C(C)C)c1ccc(Cl)cc1 ZINC001478616891 1078936172 /nfs/dbraw/zinc/93/61/72/1078936172.db2.gz AOAKJWRYFVUZGQ-QFBILLFUSA-N 2 1 382.980 3.751 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001478616891 1078936175 /nfs/dbraw/zinc/93/61/75/1078936175.db2.gz AOAKJWRYFVUZGQ-QFBILLFUSA-N 2 1 382.980 3.751 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001478616891 1078936181 /nfs/dbraw/zinc/93/61/81/1078936181.db2.gz AOAKJWRYFVUZGQ-QFBILLFUSA-N 2 1 382.980 3.751 20 0 GHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1)c1ccco1 ZINC001478619467 1078937562 /nfs/dbraw/zinc/93/75/62/1078937562.db2.gz IMFJPFXEUBALNB-CTNGQTDRSA-N 2 1 398.551 3.545 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001470777203 1072733949 /nfs/dbraw/zinc/73/39/49/1072733949.db2.gz KFEUZPZTVWGKLT-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)[NH+](C)C)cc1 ZINC001478768788 1078981194 /nfs/dbraw/zinc/98/11/94/1078981194.db2.gz DYEHJFWZISLZOF-NRFANRHFSA-N 2 1 388.600 3.614 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001471105447 1072924228 /nfs/dbraw/zinc/92/42/28/1072924228.db2.gz NZVLUCGYWIPIMM-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC001479135458 1079117022 /nfs/dbraw/zinc/11/70/22/1079117022.db2.gz FPTJCVGXQDERBE-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC001479135458 1079117026 /nfs/dbraw/zinc/11/70/26/1079117026.db2.gz FPTJCVGXQDERBE-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC001479135458 1079117029 /nfs/dbraw/zinc/11/70/29/1079117029.db2.gz FPTJCVGXQDERBE-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cccc2C1 ZINC001473177839 1073834304 /nfs/dbraw/zinc/83/43/04/1073834304.db2.gz PYDAYBXMZJTVIX-LJQANCHMSA-N 2 1 399.579 3.898 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2CCc3ccccc32)CC1)Cc1ccccc1 ZINC001473198388 1073850646 /nfs/dbraw/zinc/85/06/46/1073850646.db2.gz LUGBKSOGHOPCNI-DEOSSOPVSA-N 2 1 391.559 3.634 20 0 GHADMP CC(C)[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473221640 1073869895 /nfs/dbraw/zinc/86/98/95/1073869895.db2.gz BJXILOQALSMIPO-YLJYHZDGSA-N 2 1 377.960 3.571 20 0 GHADMP CC(C)[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473221640 1073869900 /nfs/dbraw/zinc/86/99/00/1073869900.db2.gz BJXILOQALSMIPO-YLJYHZDGSA-N 2 1 377.960 3.571 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC001473247282 1073886885 /nfs/dbraw/zinc/88/68/85/1073886885.db2.gz DKYMUCGZJSIFRI-UHFFFAOYSA-N 2 1 377.617 3.715 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569397 1074021044 /nfs/dbraw/zinc/02/10/44/1074021044.db2.gz LRDPKPSMULVUBC-RPWUZVMVSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569397 1074021049 /nfs/dbraw/zinc/02/10/49/1074021049.db2.gz LRDPKPSMULVUBC-RPWUZVMVSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569397 1074021059 /nfs/dbraw/zinc/02/10/59/1074021059.db2.gz LRDPKPSMULVUBC-RPWUZVMVSA-N 2 1 389.547 3.831 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001473631416 1074059005 /nfs/dbraw/zinc/05/90/05/1074059005.db2.gz SJLCAWINLLPSCL-PWRODBHTSA-N 2 1 387.568 3.854 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669909 1074076619 /nfs/dbraw/zinc/07/66/19/1074076619.db2.gz DRIHMWGZSBVGKD-LEWJYISDSA-N 2 1 375.557 3.723 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669909 1074076630 /nfs/dbraw/zinc/07/66/30/1074076630.db2.gz DRIHMWGZSBVGKD-LEWJYISDSA-N 2 1 375.557 3.723 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669909 1074076640 /nfs/dbraw/zinc/07/66/40/1074076640.db2.gz DRIHMWGZSBVGKD-LEWJYISDSA-N 2 1 375.557 3.723 20 0 GHADMP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3nccc4c3CCCC4)CC2)cc1 ZINC001473939214 1074212061 /nfs/dbraw/zinc/21/20/61/1074212061.db2.gz PZLOYHBEYKIWSL-UHFFFAOYSA-N 2 1 392.591 3.648 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(F)c(C(F)(F)F)c3)c2)CC1 ZINC001473976905 1074224194 /nfs/dbraw/zinc/22/41/94/1074224194.db2.gz KETMNLFQIOLPCH-UHFFFAOYSA-N 2 1 395.444 3.882 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001474067861 1074252370 /nfs/dbraw/zinc/25/23/70/1074252370.db2.gz HUHJHSPOGZQDEC-DLBZAZTESA-N 2 1 399.398 3.638 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cc(F)ccc2F)n1 ZINC001474132878 1074272203 /nfs/dbraw/zinc/27/22/03/1074272203.db2.gz XRMYPOJNOZJFPH-SFHVURJKSA-N 2 1 396.485 3.977 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(OC)cc1Cl ZINC001474185667 1074286954 /nfs/dbraw/zinc/28/69/54/1074286954.db2.gz WNDQKJFOHFQPNB-DENIHFKCSA-N 2 1 388.939 3.975 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(OC)cc1Cl ZINC001474185667 1074286957 /nfs/dbraw/zinc/28/69/57/1074286957.db2.gz WNDQKJFOHFQPNB-DENIHFKCSA-N 2 1 388.939 3.975 20 0 GHADMP COCn1ncc(C)c1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001474536266 1074454127 /nfs/dbraw/zinc/45/41/27/1074454127.db2.gz RXILNXSPMMTHMI-QHCPKHFHSA-N 2 1 396.579 3.918 20 0 GHADMP Brc1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC001474698609 1074522195 /nfs/dbraw/zinc/52/21/95/1074522195.db2.gz ZUMSIFRSUBWOFX-IBGZPJMESA-N 2 1 393.369 3.714 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)C1 ZINC000820649476 606211663 /nfs/dbraw/zinc/21/16/63/606211663.db2.gz MBKSJMLIZNCBPI-IYBDPMFKSA-N 2 1 396.564 3.696 20 0 GHADMP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2[nH+]ccc4[nH]ccc42)CC3)cc1 ZINC001164670102 719495011 /nfs/dbraw/zinc/49/50/11/719495011.db2.gz WOKKZUXVKGMTFW-UHFFFAOYSA-N 2 1 380.467 3.573 20 0 GHADMP Fc1ccc(C[N@H+]2CCOCC23CCN(c2[nH+]ccc4[nH]ccc42)CC3)cc1 ZINC001164670102 719495014 /nfs/dbraw/zinc/49/50/14/719495014.db2.gz WOKKZUXVKGMTFW-UHFFFAOYSA-N 2 1 380.467 3.573 20 0 GHADMP Cc1cc2nc(Cl)c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2cc1C ZINC001164681262 719629174 /nfs/dbraw/zinc/62/91/74/719629174.db2.gz FPURIDIQRWZPRZ-UHFFFAOYSA-N 2 1 398.942 3.572 20 0 GHADMP Cc1cc2nc(Cl)c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2cc1C ZINC001164681262 719629180 /nfs/dbraw/zinc/62/91/80/719629180.db2.gz FPURIDIQRWZPRZ-UHFFFAOYSA-N 2 1 398.942 3.572 20 0 GHADMP CCc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)nc(C)[nH+]1 ZINC001164845368 720702127 /nfs/dbraw/zinc/70/21/27/720702127.db2.gz YUWGLCFCYGLFPW-NRFANRHFSA-N 2 1 380.536 3.607 20 0 GHADMP CCc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(C)[nH+]1 ZINC001164845368 720702137 /nfs/dbraw/zinc/70/21/37/720702137.db2.gz YUWGLCFCYGLFPW-NRFANRHFSA-N 2 1 380.536 3.607 20 0 GHADMP CCc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(C)[nH+]1 ZINC001164841634 720712861 /nfs/dbraw/zinc/71/28/61/720712861.db2.gz VFSJSPMYTGCHNG-FQEVSTJZSA-N 2 1 380.536 3.607 20 0 GHADMP CCc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(C)[nH+]1 ZINC001164841634 720712871 /nfs/dbraw/zinc/71/28/71/720712871.db2.gz VFSJSPMYTGCHNG-FQEVSTJZSA-N 2 1 380.536 3.607 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OCc1ccncc1 ZINC000647542759 837451749 /nfs/dbraw/zinc/45/17/49/837451749.db2.gz BMYCGYVHKVVMBA-VXKWHMMOSA-N 2 1 395.547 3.881 20 0 GHADMP FC(F)(F)CO[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000613267620 837490901 /nfs/dbraw/zinc/49/09/01/837490901.db2.gz VXZAMZHRKWUEKL-IBGZPJMESA-N 2 1 386.458 3.705 20 0 GHADMP FC(F)(F)CO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000613267620 837490905 /nfs/dbraw/zinc/49/09/05/837490905.db2.gz VXZAMZHRKWUEKL-IBGZPJMESA-N 2 1 386.458 3.705 20 0 GHADMP CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431796156 837559265 /nfs/dbraw/zinc/55/92/65/837559265.db2.gz JGQJKBSYMLVNKY-UNMCSNQZSA-N 2 1 392.632 3.793 20 0 GHADMP Fc1cccc(COc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1 ZINC000655698364 837688350 /nfs/dbraw/zinc/68/83/50/837688350.db2.gz VIGYHWWROLPZLI-QFIPXVFZSA-N 2 1 384.495 3.748 20 0 GHADMP Fc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Oc1cccnc1 ZINC000655700521 837689162 /nfs/dbraw/zinc/68/91/62/837689162.db2.gz LRUAMURSCOVODA-HXUWFJFHSA-N 2 1 385.483 3.746 20 0 GHADMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703986 837693321 /nfs/dbraw/zinc/69/33/21/837693321.db2.gz OSTAINIVPJFKCW-DEOSSOPVSA-N 3 1 385.596 3.796 20 0 GHADMP Clc1ccc(OCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000655703240 837700338 /nfs/dbraw/zinc/70/03/38/837700338.db2.gz CBUQPOWACSEUEX-QGZVFWFLSA-N 2 1 387.351 3.995 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655710422 837701659 /nfs/dbraw/zinc/70/16/59/837701659.db2.gz APVVTUGQJHZSNH-IAGOWNOFSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655710422 837701672 /nfs/dbraw/zinc/70/16/72/837701672.db2.gz APVVTUGQJHZSNH-IAGOWNOFSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000655723241 837742020 /nfs/dbraw/zinc/74/20/20/837742020.db2.gz LVINHZVXDBXNFV-UHFFFAOYSA-N 2 1 382.483 3.550 20 0 GHADMP Cn1ncc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C(F)(F)F ZINC000150992839 834404999 /nfs/dbraw/zinc/40/49/99/834404999.db2.gz YIRKLIDKXDRVHE-UHFFFAOYSA-N 2 1 380.458 3.783 20 0 GHADMP Cn1ncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C(F)(F)F ZINC000150992839 834405002 /nfs/dbraw/zinc/40/50/02/834405002.db2.gz YIRKLIDKXDRVHE-UHFFFAOYSA-N 2 1 380.458 3.783 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000583470230 834427858 /nfs/dbraw/zinc/42/78/58/834427858.db2.gz BSIYECOCWKNCFA-DEOSSOPVSA-N 2 1 392.591 3.938 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000118770745 834433611 /nfs/dbraw/zinc/43/36/11/834433611.db2.gz HOGXRCLNVZAEJO-IBGZPJMESA-N 2 1 391.515 3.889 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000108931188 834440371 /nfs/dbraw/zinc/44/03/71/834440371.db2.gz AKKABRPNYVOLQJ-XMMPIXPASA-N 2 1 391.559 3.953 20 0 GHADMP CC(C)C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH2+][C@@H](C)c1ccccc1 ZINC000458560769 834507940 /nfs/dbraw/zinc/50/79/40/834507940.db2.gz QOQRTGJEFRKFSV-MQGLVTFHSA-N 2 1 386.584 3.676 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3Cl)C2)C1 ZINC000650706423 834537207 /nfs/dbraw/zinc/53/72/07/834537207.db2.gz KBJCQACJVQWZGW-YSVLISHTSA-N 2 1 387.749 3.821 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975211 834613583 /nfs/dbraw/zinc/61/35/83/834613583.db2.gz MIBKVTFFNJHACJ-KNQAVFIVSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975211 834613590 /nfs/dbraw/zinc/61/35/90/834613590.db2.gz MIBKVTFFNJHACJ-KNQAVFIVSA-N 2 1 399.966 3.971 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000650722414 834689974 /nfs/dbraw/zinc/68/99/74/834689974.db2.gz SIILSOAIVSLLJK-BHIYHBOVSA-N 2 1 396.959 3.998 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1OC ZINC000650722745 834691675 /nfs/dbraw/zinc/69/16/75/834691675.db2.gz ALKNTWQXWQIBQF-XFIJJGBISA-N 2 1 376.541 3.733 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000655744065 837802693 /nfs/dbraw/zinc/80/26/93/837802693.db2.gz NXBYCANUJOHJBJ-DYVFJYSZSA-N 2 1 377.330 3.516 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511255462 834716576 /nfs/dbraw/zinc/71/65/76/834716576.db2.gz YJLHQGDHZBAKMU-FPOVZHCZSA-N 2 1 390.616 3.547 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000583645528 834807497 /nfs/dbraw/zinc/80/74/97/834807497.db2.gz ZZIBZDWMUSQFKW-NOZRDPDXSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000583645528 834807507 /nfs/dbraw/zinc/80/75/07/834807507.db2.gz ZZIBZDWMUSQFKW-NOZRDPDXSA-N 3 1 393.575 3.568 20 0 GHADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000246258934 834860695 /nfs/dbraw/zinc/86/06/95/834860695.db2.gz KVMLIVCINOPASP-AOVJGWOOSA-N 2 1 377.532 3.634 20 0 GHADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657881685 834888216 /nfs/dbraw/zinc/88/82/16/834888216.db2.gz HQZQYDDTSXXVTG-SFHVURJKSA-N 2 1 383.374 3.717 20 0 GHADMP C[C@H](NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000511264915 834902787 /nfs/dbraw/zinc/90/27/87/834902787.db2.gz IKFXXZGFYAYYFF-OALUTQOASA-N 2 1 384.568 3.600 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685417708 834996907 /nfs/dbraw/zinc/99/69/07/834996907.db2.gz MSCVCDIZJVEJLG-QUHSPFQSSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685417708 834996920 /nfs/dbraw/zinc/99/69/20/834996920.db2.gz MSCVCDIZJVEJLG-QUHSPFQSSA-N 2 1 381.486 3.821 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000685464203 835030677 /nfs/dbraw/zinc/03/06/77/835030677.db2.gz DOZHENLWMYJOBC-SFTDATJTSA-N 2 1 385.596 3.856 20 0 GHADMP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000151145223 835048162 /nfs/dbraw/zinc/04/81/62/835048162.db2.gz NHPLNFZKKGHNNE-XMMPIXPASA-N 2 1 397.538 3.838 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000151145223 835048172 /nfs/dbraw/zinc/04/81/72/835048172.db2.gz NHPLNFZKKGHNNE-XMMPIXPASA-N 2 1 397.538 3.838 20 0 GHADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)c2ccccc2)CC1 ZINC000892397704 835068810 /nfs/dbraw/zinc/06/88/10/835068810.db2.gz QRMHEXHITZUXJF-HXUWFJFHSA-N 2 1 377.454 3.842 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000655075983 835084572 /nfs/dbraw/zinc/08/45/72/835084572.db2.gz BMGQITMVGKBRQK-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728196254 835095709 /nfs/dbraw/zinc/09/57/09/835095709.db2.gz LFQMEXCADLEVOX-JOCHJYFZSA-N 2 1 379.548 3.852 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2ccccc2C)CC1=O ZINC000728196254 835095718 /nfs/dbraw/zinc/09/57/18/835095718.db2.gz LFQMEXCADLEVOX-JOCHJYFZSA-N 2 1 379.548 3.852 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1cccc(C2CC2)c1 ZINC000412167363 844025115 /nfs/dbraw/zinc/02/51/15/844025115.db2.gz APYFQSXQGDJDDX-UHFFFAOYSA-N 2 1 397.607 3.761 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3nc4ccc(-c5ccsc5)cn4n3)CC2)C1 ZINC001208606357 835207697 /nfs/dbraw/zinc/20/76/97/835207697.db2.gz FCOSRNPBXBFSCO-QGZVFWFLSA-N 2 1 395.576 3.979 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001208614671 835242208 /nfs/dbraw/zinc/24/22/08/835242208.db2.gz FKJRRNKEPATWIS-VAMGGRTRSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001208614671 835242215 /nfs/dbraw/zinc/24/22/15/835242215.db2.gz FKJRRNKEPATWIS-VAMGGRTRSA-N 2 1 379.589 3.876 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@H+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001208614671 835242217 /nfs/dbraw/zinc/24/22/17/835242217.db2.gz FKJRRNKEPATWIS-VAMGGRTRSA-N 2 1 379.589 3.876 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001208614671 835242223 /nfs/dbraw/zinc/24/22/23/835242223.db2.gz FKJRRNKEPATWIS-VAMGGRTRSA-N 2 1 379.589 3.876 20 0 GHADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1SC ZINC000658135643 835443946 /nfs/dbraw/zinc/44/39/46/835443946.db2.gz AEPRCMNDUZUGMN-OXQOHEQNSA-N 2 1 386.561 3.835 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135323 835444702 /nfs/dbraw/zinc/44/47/02/835444702.db2.gz DHNZKCJQCWJQMQ-PGRDOPGGSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nc(C(F)(F)F)cs1 ZINC000658135282 835445223 /nfs/dbraw/zinc/44/52/23/835445223.db2.gz CWYDGHPLLDJZTP-WFASDCNBSA-N 2 1 385.455 3.579 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nc(C(F)(F)F)cs1 ZINC000658135282 835445225 /nfs/dbraw/zinc/44/52/25/835445225.db2.gz CWYDGHPLLDJZTP-WFASDCNBSA-N 2 1 385.455 3.579 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000584062570 835530703 /nfs/dbraw/zinc/53/07/03/835530703.db2.gz SIXOCQBDYVWFNE-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCC4(C[C@H]3F)OCCO4)cc2)CC1 ZINC000892379176 835972873 /nfs/dbraw/zinc/97/28/73/835972873.db2.gz AOVBIEYEQMEIHZ-RTWAWAEBSA-N 2 1 391.531 3.510 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000375842131 836059037 /nfs/dbraw/zinc/05/90/37/836059037.db2.gz PVGQLMBJTOGLDD-UHFFFAOYSA-N 2 1 381.568 3.562 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CC2)nc1 ZINC000180167363 836101253 /nfs/dbraw/zinc/10/12/53/836101253.db2.gz BOAPDGVLFDVEQB-YFNKSVMNSA-N 2 1 390.575 3.859 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3-n3ccnc3)CC2)cc1 ZINC000152238498 836207479 /nfs/dbraw/zinc/20/74/79/836207479.db2.gz OIYHPKDQCATPLH-UHFFFAOYSA-N 2 1 378.495 3.808 20 0 GHADMP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480626 836211001 /nfs/dbraw/zinc/21/10/01/836211001.db2.gz VKODBZJFXLGLLK-QFBILLFUSA-N 2 1 389.341 3.599 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647480626 836211008 /nfs/dbraw/zinc/21/10/08/836211008.db2.gz VKODBZJFXLGLLK-QFBILLFUSA-N 2 1 389.341 3.599 20 0 GHADMP COc1ccc2sc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c(C)c2c1 ZINC000607805848 836299695 /nfs/dbraw/zinc/29/96/95/836299695.db2.gz QGCNHADYEFBCPG-UHFFFAOYSA-N 2 1 396.516 3.617 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570925123 836367087 /nfs/dbraw/zinc/36/70/87/836367087.db2.gz FEUOENLKOMVKTE-DNQXCXABSA-N 2 1 391.559 3.537 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000246966674 836495159 /nfs/dbraw/zinc/49/51/59/836495159.db2.gz PVNXUJJZJDYDPG-FYYLOGMGSA-N 2 1 379.548 3.660 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000246966674 836495163 /nfs/dbraw/zinc/49/51/63/836495163.db2.gz PVNXUJJZJDYDPG-FYYLOGMGSA-N 2 1 379.548 3.660 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000246966674 836495167 /nfs/dbraw/zinc/49/51/67/836495167.db2.gz PVNXUJJZJDYDPG-FYYLOGMGSA-N 2 1 379.548 3.660 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000613491310 836541782 /nfs/dbraw/zinc/54/17/82/836541782.db2.gz OBSCTYGZJXLMPW-JOCHJYFZSA-N 2 1 376.585 3.795 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209453411 836584776 /nfs/dbraw/zinc/58/47/76/836584776.db2.gz HZJSIZCDRLZJNY-UHFFFAOYSA-N 2 1 387.568 3.546 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)C1 ZINC001209453442 836585342 /nfs/dbraw/zinc/58/53/42/836585342.db2.gz IEIUYIADCCUOQZ-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)C[C@@H](C)O1 ZINC000170780012 836667197 /nfs/dbraw/zinc/66/71/97/836667197.db2.gz IZJALIFCDLEIAF-HZPDHXFCSA-N 2 1 390.959 3.548 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000431674376 836672296 /nfs/dbraw/zinc/67/22/96/836672296.db2.gz DFNWSTMAMJATEQ-KNKQGSTJSA-N 2 1 392.632 3.649 20 0 GHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332819678 836691582 /nfs/dbraw/zinc/69/15/82/836691582.db2.gz GBLCZIWTZQOBMZ-UXHICEINSA-N 2 1 386.584 3.874 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332819678 836691584 /nfs/dbraw/zinc/69/15/84/836691584.db2.gz GBLCZIWTZQOBMZ-UXHICEINSA-N 2 1 386.584 3.874 20 0 GHADMP CSCc1cnc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000549756026 844227127 /nfs/dbraw/zinc/22/71/27/844227127.db2.gz VZOXKDNSDPSJFZ-UHFFFAOYSA-N 2 1 377.579 3.771 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826088 837157918 /nfs/dbraw/zinc/15/79/18/837157918.db2.gz WJQSUAZCAUXCAG-YTQUADARSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826088 837157925 /nfs/dbraw/zinc/15/79/25/837157925.db2.gz WJQSUAZCAUXCAG-YTQUADARSA-N 2 1 399.485 3.570 20 0 GHADMP Clc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655777786 837862085 /nfs/dbraw/zinc/86/20/85/837862085.db2.gz ZETFQCGGPKHKGR-KRWDZBQOSA-N 2 1 387.749 3.836 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377764317 837939949 /nfs/dbraw/zinc/93/99/49/837939949.db2.gz QWIRTNSPGYGRJY-VXKWHMMOSA-N 2 1 392.547 3.734 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCSc3ccccc3Cl)C2)CC1 ZINC000377907744 838134320 /nfs/dbraw/zinc/13/43/20/838134320.db2.gz JZJPHTSECWBMGK-GOSISDBHSA-N 2 1 382.017 3.923 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659288574 838221548 /nfs/dbraw/zinc/22/15/48/838221548.db2.gz JXKOWGLMOPPWJJ-XANCMCCPSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(CC(F)(F)F)s3)c2)CCO1 ZINC000892677286 838256313 /nfs/dbraw/zinc/25/63/13/838256313.db2.gz YMWGVPJCKRDFGN-CQSZACIVSA-N 2 1 399.482 3.758 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(CC(F)(F)F)s3)c2)CCO1 ZINC000892677286 838256321 /nfs/dbraw/zinc/25/63/21/838256321.db2.gz YMWGVPJCKRDFGN-CQSZACIVSA-N 2 1 399.482 3.758 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415906763 838260918 /nfs/dbraw/zinc/26/09/18/838260918.db2.gz LRNZKPCPLQOOSB-OAQYLSRUSA-N 2 1 380.536 3.782 20 0 GHADMP CCC[C@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415947399 838300148 /nfs/dbraw/zinc/30/01/48/838300148.db2.gz RICNGPJWHRDKMQ-NRFANRHFSA-N 2 1 396.535 3.543 20 0 GHADMP CC(C)CC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000378119808 838458519 /nfs/dbraw/zinc/45/85/19/838458519.db2.gz KVCNODZAPYNTQA-UHFFFAOYSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC000378165746 838544683 /nfs/dbraw/zinc/54/46/83/838544683.db2.gz JEGAYQQQNNDQPK-GCJKJVERSA-N 2 1 387.568 3.772 20 0 GHADMP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275729245 838589389 /nfs/dbraw/zinc/58/93/89/838589389.db2.gz XAJSKPFGGBZDHT-UGKGYDQZSA-N 2 1 394.563 3.823 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000416165940 838660127 /nfs/dbraw/zinc/66/01/27/838660127.db2.gz JAOMAXGPQODBTG-SELNLUPBSA-N 2 1 395.547 3.927 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000416165940 838660128 /nfs/dbraw/zinc/66/01/28/838660128.db2.gz JAOMAXGPQODBTG-SELNLUPBSA-N 2 1 395.547 3.927 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCc1cccs1 ZINC000120232088 838888081 /nfs/dbraw/zinc/88/80/81/838888081.db2.gz CZSGKDVCMLCOCA-MSOLQXFVSA-N 2 1 385.577 3.775 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309717089 839150497 /nfs/dbraw/zinc/15/04/97/839150497.db2.gz LDCRYTYKCVIWBC-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000189262916 839183814 /nfs/dbraw/zinc/18/38/14/839183814.db2.gz XDMREQFYESDDFS-UHFFFAOYSA-N 2 1 395.950 3.683 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000415108502 839217943 /nfs/dbraw/zinc/21/79/43/839217943.db2.gz MIUOLYHSTYQIDM-DLBZAZTESA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@@H](CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000580308630 839222904 /nfs/dbraw/zinc/22/29/04/839222904.db2.gz OSOANBWBYNQEGD-ZCYQVOJMSA-N 2 1 391.559 3.981 20 0 GHADMP Cn1cc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C2CCCCC2)n1 ZINC000415136782 839263358 /nfs/dbraw/zinc/26/33/58/839263358.db2.gz SAWNVLWNZVTUHJ-UHFFFAOYSA-N 2 1 395.595 3.551 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c(OC)c1 ZINC000571450139 844422534 /nfs/dbraw/zinc/42/25/34/844422534.db2.gz QPTMTMZYQVQLGV-OAHLLOKOSA-N 2 1 387.549 3.791 20 0 GHADMP CCOc1ccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)co2)cc1 ZINC000580549168 839785683 /nfs/dbraw/zinc/78/56/83/839785683.db2.gz UETDATCMHIMSAK-UHFFFAOYSA-N 2 1 399.535 3.675 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(I)cc1 ZINC000610798238 844473974 /nfs/dbraw/zinc/47/39/74/844473974.db2.gz XNMBMPJWYURCJY-KRWDZBQOSA-N 2 1 384.305 3.959 20 0 GHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000894080722 844483545 /nfs/dbraw/zinc/48/35/45/844483545.db2.gz OXDCUIHHABBUHB-CALCHBBNSA-N 2 1 375.513 3.537 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000418463249 840273210 /nfs/dbraw/zinc/27/32/10/840273210.db2.gz OEAXSTTXVBADAF-LJQANCHMSA-N 2 1 394.563 3.760 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416975898 840320512 /nfs/dbraw/zinc/32/05/12/840320512.db2.gz NIJQTEHIZUGFAI-UGKGYDQZSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416972166 840328633 /nfs/dbraw/zinc/32/86/33/840328633.db2.gz IACXFEBKRLCVFA-KJXAQDMKSA-N 2 1 398.595 3.592 20 0 GHADMP CC[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000417009084 840364500 /nfs/dbraw/zinc/36/45/00/840364500.db2.gz JWURGYAMEXBNBF-XZOQPEGZSA-N 2 1 394.563 3.603 20 0 GHADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093660370 840481067 /nfs/dbraw/zinc/48/10/67/840481067.db2.gz PTYMTJFXSPIHKO-UHFFFAOYSA-N 2 1 383.536 3.704 20 0 GHADMP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093660370 840481072 /nfs/dbraw/zinc/48/10/72/840481072.db2.gz PTYMTJFXSPIHKO-UHFFFAOYSA-N 2 1 383.536 3.704 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000431926258 840515964 /nfs/dbraw/zinc/51/59/64/840515964.db2.gz VRKFYRKNUUOFHY-UXHICEINSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC1(C)CC[NH2+]CC1)C1CCCCC1 ZINC000417219582 840611674 /nfs/dbraw/zinc/61/16/74/840611674.db2.gz MQYRIHWMYFJANN-UHFFFAOYSA-N 2 1 386.584 3.640 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000584827122 840994698 /nfs/dbraw/zinc/99/46/98/840994698.db2.gz HBKNOQJFPCLWPW-VQIMIIECSA-N 2 1 396.510 3.646 20 0 GHADMP [NH3+][C@@H](c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656469016 841052355 /nfs/dbraw/zinc/05/23/55/841052355.db2.gz YOGFFXXRNIETFV-HRAATJIYSA-N 2 1 399.901 3.641 20 0 GHADMP [NH3+][C@@H](c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656469016 841052368 /nfs/dbraw/zinc/05/23/68/841052368.db2.gz YOGFFXXRNIETFV-HRAATJIYSA-N 2 1 399.901 3.641 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591421738 841062592 /nfs/dbraw/zinc/06/25/92/841062592.db2.gz NLFYGCMNDBAUNY-IBGZPJMESA-N 2 1 387.568 3.542 20 0 GHADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000430570038 841168684 /nfs/dbraw/zinc/16/86/84/841168684.db2.gz HZJCUKMQPBRNKX-UHFFFAOYSA-N 2 1 377.838 3.619 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417834562 841217180 /nfs/dbraw/zinc/21/71/80/841217180.db2.gz KGKKLKVHYCXEOE-SIKLNZKXSA-N 2 1 386.584 3.590 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000417872745 841238340 /nfs/dbraw/zinc/23/83/40/841238340.db2.gz ICSLRQHVTVNJST-QHCPKHFHSA-N 2 1 386.584 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)o1 ZINC000042724504 841246561 /nfs/dbraw/zinc/24/65/61/841246561.db2.gz YBPTWOLHZKGDSW-UHFFFAOYSA-N 2 1 383.536 3.688 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660305094 841248207 /nfs/dbraw/zinc/24/82/07/841248207.db2.gz JXTMEOGMDBMNOV-CEMLEFRQSA-N 2 1 385.596 3.771 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417979229 841351637 /nfs/dbraw/zinc/35/16/37/841351637.db2.gz FEQWNQXQOXBANL-ZWKOTPCHSA-N 2 1 398.954 3.629 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417979229 841351644 /nfs/dbraw/zinc/35/16/44/841351644.db2.gz FEQWNQXQOXBANL-ZWKOTPCHSA-N 2 1 398.954 3.629 20 0 GHADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001167465564 841493635 /nfs/dbraw/zinc/49/36/35/841493635.db2.gz XMZJWSKJXRUBNR-LSWJPFSZSA-N 2 1 379.548 3.592 20 0 GHADMP CCc1cc2c(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc(=O)oc2cc1O ZINC000185713228 861222837 /nfs/dbraw/zinc/22/28/37/861222837.db2.gz NENBDXLDUKPCAX-WBVHZDCISA-N 2 1 384.520 3.804 20 0 GHADMP CCc1cc2c(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc(=O)oc2cc1O ZINC000185713228 861222850 /nfs/dbraw/zinc/22/28/50/861222850.db2.gz NENBDXLDUKPCAX-WBVHZDCISA-N 2 1 384.520 3.804 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)c2)CC1 ZINC000662802682 841661941 /nfs/dbraw/zinc/66/19/41/841661941.db2.gz QGODHBWSAJTRBT-NRFANRHFSA-N 2 1 387.474 3.878 20 0 GHADMP Cc1nn2c(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000500249547 841732216 /nfs/dbraw/zinc/73/22/16/841732216.db2.gz KYDAZOAKKGRBFM-BEFAXECRSA-N 2 1 383.565 3.798 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613800427 841852133 /nfs/dbraw/zinc/85/21/33/841852133.db2.gz YUJIEBQIWUCXIK-QFIPXVFZSA-N 2 1 379.548 3.684 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000303444688 841997390 /nfs/dbraw/zinc/99/73/90/841997390.db2.gz GQZHLOZBKMGWHX-ZSJMHYJMSA-N 2 1 398.595 3.602 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1C ZINC001266801597 842034215 /nfs/dbraw/zinc/03/42/15/842034215.db2.gz FTGIEGYMUKMGRV-MYSJAJEPSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1C ZINC001266801597 842034219 /nfs/dbraw/zinc/03/42/19/842034219.db2.gz FTGIEGYMUKMGRV-MYSJAJEPSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@H]1C ZINC001266801597 842034226 /nfs/dbraw/zinc/03/42/26/842034226.db2.gz FTGIEGYMUKMGRV-MYSJAJEPSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001167825124 842037696 /nfs/dbraw/zinc/03/76/96/842037696.db2.gz RBKBVMVSFSLRSR-FQEVSTJZSA-N 2 1 386.584 3.520 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000637033014 842067623 /nfs/dbraw/zinc/06/76/23/842067623.db2.gz HHKNSYXQRCWCJJ-PMACEKPBSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001167833473 842197912 /nfs/dbraw/zinc/19/79/12/842197912.db2.gz BMKXVNFKRNPIDS-JTHBVZDNSA-N 2 1 375.601 3.720 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccn2ccnc2c1 ZINC000177923613 861284241 /nfs/dbraw/zinc/28/42/41/861284241.db2.gz DAZDAYYPLNEHLC-SFHVURJKSA-N 2 1 391.519 3.708 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C1COC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001167838154 842336391 /nfs/dbraw/zinc/33/63/91/842336391.db2.gz QVBLJPBLFLSKJM-SFHVURJKSA-N 2 1 397.604 3.597 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000623654861 861301586 /nfs/dbraw/zinc/30/15/86/861301586.db2.gz KSHMAJTYEPILMF-NRFANRHFSA-N 2 1 389.547 3.815 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CCCO1 ZINC000432409779 842401881 /nfs/dbraw/zinc/40/18/81/842401881.db2.gz IXQXJXPAIMPZEE-CRAIPNDOSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CCCO1 ZINC000432409779 842401887 /nfs/dbraw/zinc/40/18/87/842401887.db2.gz IXQXJXPAIMPZEE-CRAIPNDOSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413108 842414014 /nfs/dbraw/zinc/41/40/14/842414014.db2.gz KGBURROUGMXPJM-HNAYVOBHSA-N 2 1 381.358 3.917 20 0 GHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432418040 842437076 /nfs/dbraw/zinc/43/70/76/842437076.db2.gz YDKWAEHZKAYJMO-RBUKOAKNSA-N 2 1 375.557 3.618 20 0 GHADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432418040 842437082 /nfs/dbraw/zinc/43/70/82/842437082.db2.gz YDKWAEHZKAYJMO-RBUKOAKNSA-N 2 1 375.557 3.618 20 0 GHADMP CCc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc1C ZINC000430673756 842449312 /nfs/dbraw/zinc/44/93/12/842449312.db2.gz FZGLQZCNLLIJDQ-UHFFFAOYSA-N 2 1 391.625 3.887 20 0 GHADMP C[C@H]1CCC[C@@H](CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000430683551 842532197 /nfs/dbraw/zinc/53/21/97/842532197.db2.gz ZXWYJFNJHNVRBZ-PZJWPPBQSA-N 2 1 377.617 3.858 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc1)CC2 ZINC000581901503 842556297 /nfs/dbraw/zinc/55/62/97/842556297.db2.gz WVPXPBYOSMCPOZ-NPPFBWRTSA-N 2 1 394.563 3.548 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000581931212 842735856 /nfs/dbraw/zinc/73/58/56/842735856.db2.gz VZQZJIBFSKTUKQ-NLWGTHIKSA-N 2 1 381.524 3.564 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(Br)cs3)CC2)C[C@H](C)O1 ZINC000512179448 842780158 /nfs/dbraw/zinc/78/01/58/842780158.db2.gz MLQXABQNNOWGMB-OKILXGFUSA-N 2 1 387.387 3.832 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(Br)cs3)CC2)C[C@H](C)O1 ZINC000512179448 842780167 /nfs/dbraw/zinc/78/01/67/842780167.db2.gz MLQXABQNNOWGMB-OKILXGFUSA-N 2 1 387.387 3.832 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000652611366 842836627 /nfs/dbraw/zinc/83/66/27/842836627.db2.gz GHYKJLLXOZYTAG-RCCFBDPRSA-N 2 1 378.520 3.805 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1=CC[NH+](C)CC1 ZINC000510522379 842893162 /nfs/dbraw/zinc/89/31/62/842893162.db2.gz JZSQHSFXWHHVCE-LJQANCHMSA-N 2 1 398.595 3.901 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000510522379 842893167 /nfs/dbraw/zinc/89/31/67/842893167.db2.gz JZSQHSFXWHHVCE-LJQANCHMSA-N 2 1 398.595 3.901 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000510522379 842893179 /nfs/dbraw/zinc/89/31/79/842893179.db2.gz JZSQHSFXWHHVCE-LJQANCHMSA-N 2 1 398.595 3.901 20 0 GHADMP CCC(CC)(CNC(=O)[C@@H]([NH3+])c1ccccc1OC)[NH2+][C@@H](C)c1ccccc1 ZINC000430724531 842902005 /nfs/dbraw/zinc/90/20/05/842902005.db2.gz NVAKPZUXHNKPNT-UWJYYQICSA-N 2 1 383.536 3.721 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000471862654 842978504 /nfs/dbraw/zinc/97/85/04/842978504.db2.gz LTIXPRPQNVIDAX-MOPGFXCFSA-N 2 1 382.533 3.970 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000471862654 842978517 /nfs/dbraw/zinc/97/85/17/842978517.db2.gz LTIXPRPQNVIDAX-MOPGFXCFSA-N 2 1 382.533 3.970 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000662326899 843154580 /nfs/dbraw/zinc/15/45/80/843154580.db2.gz ADCYTNLFGMBQOT-UHFFFAOYSA-N 2 1 396.579 3.706 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000662327103 843154643 /nfs/dbraw/zinc/15/46/43/843154643.db2.gz JKTQQGIWJDXBMP-UHFFFAOYSA-N 2 1 381.549 3.866 20 0 GHADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000510684983 843192899 /nfs/dbraw/zinc/19/28/99/843192899.db2.gz RBQDSLZCVOUDQM-FHJLPGHOSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@H](CCc1c(F)cccc1F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000510684983 843192906 /nfs/dbraw/zinc/19/29/06/843192906.db2.gz RBQDSLZCVOUDQM-FHJLPGHOSA-N 2 1 388.502 3.759 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCSc3ccccc3)CC2)CC1 ZINC000430946711 843233449 /nfs/dbraw/zinc/23/34/49/843233449.db2.gz XIJQEISSWZPOEP-UHFFFAOYSA-N 2 1 375.626 3.907 20 0 GHADMP C[N@H+](CCSc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430946711 843233461 /nfs/dbraw/zinc/23/34/61/843233461.db2.gz XIJQEISSWZPOEP-UHFFFAOYSA-N 3 1 375.626 3.907 20 0 GHADMP C[N@@H+](CCSc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430946711 843233470 /nfs/dbraw/zinc/23/34/70/843233470.db2.gz XIJQEISSWZPOEP-UHFFFAOYSA-N 3 1 375.626 3.907 20 0 GHADMP COc1ccc(-n2ccc(C[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)n2)cc1 ZINC000178710423 861399419 /nfs/dbraw/zinc/39/94/19/861399419.db2.gz NUXWXQZZQVZYPC-GOSISDBHSA-N 2 1 394.519 3.672 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675653 843510308 /nfs/dbraw/zinc/51/03/08/843510308.db2.gz PBBMVTXXTQEVAE-BTYIYWSLSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675653 843510316 /nfs/dbraw/zinc/51/03/16/843510316.db2.gz PBBMVTXXTQEVAE-BTYIYWSLSA-N 2 1 387.474 3.655 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1)CC(C)C ZINC000418676750 843533593 /nfs/dbraw/zinc/53/35/93/843533593.db2.gz ZQPSQUQBVNJJTK-MEMLXQNLSA-N 2 1 380.621 3.541 20 0 GHADMP CN(C(=O)c1ccc(C(F)F)o1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000626262041 843555651 /nfs/dbraw/zinc/55/56/51/843555651.db2.gz SUEGFCBGKPQYEP-JKSUJKDBSA-N 2 1 383.483 3.626 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093088703 843643898 /nfs/dbraw/zinc/64/38/98/843643898.db2.gz LSNKLUNINAHROM-UHFFFAOYSA-N 2 1 385.346 3.630 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000663469971 843679293 /nfs/dbraw/zinc/67/92/93/843679293.db2.gz SFIIGAXCXPTPPD-ICSRJNTNSA-N 2 1 382.552 3.772 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000500662780 843786443 /nfs/dbraw/zinc/78/64/43/843786443.db2.gz ISFGLOZTUXEUOU-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000500662780 843786447 /nfs/dbraw/zinc/78/64/47/843786447.db2.gz ISFGLOZTUXEUOU-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000500662780 843786448 /nfs/dbraw/zinc/78/64/48/843786448.db2.gz ISFGLOZTUXEUOU-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP COC(=O)c1cccc(Br)c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000432779941 843800181 /nfs/dbraw/zinc/80/01/81/843800181.db2.gz IVPLPENRHMHCNO-UHFFFAOYSA-N 2 1 397.357 3.790 20 0 GHADMP c1cc(-c2noc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2)co1 ZINC000433186825 843814663 /nfs/dbraw/zinc/81/46/63/843814663.db2.gz GTBMWLUEDJTOBL-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP c1cc(-c2noc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2)co1 ZINC000433186825 843814671 /nfs/dbraw/zinc/81/46/71/843814671.db2.gz GTBMWLUEDJTOBL-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP CC(C)c1ncc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000236622487 843863497 /nfs/dbraw/zinc/86/34/97/843863497.db2.gz MFXHGXLJAKYGLY-UHFFFAOYSA-N 2 1 386.609 3.954 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000512847690 843879905 /nfs/dbraw/zinc/87/99/05/843879905.db2.gz YVFMCSWXFSJEEI-MRXNPFEDSA-N 2 1 391.357 3.989 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000512847690 843879913 /nfs/dbraw/zinc/87/99/13/843879913.db2.gz YVFMCSWXFSJEEI-MRXNPFEDSA-N 2 1 391.357 3.989 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1F ZINC000458273177 844775378 /nfs/dbraw/zinc/77/53/78/844775378.db2.gz AFFGSXRREBTKOZ-IBGZPJMESA-N 2 1 377.504 3.502 20 0 GHADMP c1c(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCCC2 ZINC000512662619 844916303 /nfs/dbraw/zinc/91/63/03/844916303.db2.gz ZBJQOTPZLGOWEW-PMVMPFDFSA-N 2 1 378.564 3.652 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645154451 845387702 /nfs/dbraw/zinc/38/77/02/845387702.db2.gz VWQKGWLHYJLVGX-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000645154451 845387717 /nfs/dbraw/zinc/38/77/17/845387717.db2.gz VWQKGWLHYJLVGX-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000645154451 845387722 /nfs/dbraw/zinc/38/77/22/845387722.db2.gz VWQKGWLHYJLVGX-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503722 845519903 /nfs/dbraw/zinc/51/99/03/845519903.db2.gz CWHGMKMQUGXQKM-IFMALSPDSA-N 2 1 385.552 3.594 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503722 845519911 /nfs/dbraw/zinc/51/99/11/845519911.db2.gz CWHGMKMQUGXQKM-IFMALSPDSA-N 2 1 385.552 3.594 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503722 845519919 /nfs/dbraw/zinc/51/99/19/845519919.db2.gz CWHGMKMQUGXQKM-IFMALSPDSA-N 2 1 385.552 3.594 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503722 845519926 /nfs/dbraw/zinc/51/99/26/845519926.db2.gz CWHGMKMQUGXQKM-IFMALSPDSA-N 2 1 385.552 3.594 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513494290 845525979 /nfs/dbraw/zinc/52/59/79/845525979.db2.gz HGOJJAZWIPHTFI-AZUAARDMSA-N 2 1 375.520 3.862 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000105442911 845993695 /nfs/dbraw/zinc/99/36/95/845993695.db2.gz OPXCVMOUHWNMKU-QGZVFWFLSA-N 2 1 380.492 3.600 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)cc2)C1 ZINC000657310881 846002333 /nfs/dbraw/zinc/00/23/33/846002333.db2.gz QTNIOSPHMJTXQG-LJQANCHMSA-N 3 1 375.520 3.789 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccncc3)cc2)C1 ZINC000657310881 846002341 /nfs/dbraw/zinc/00/23/41/846002341.db2.gz QTNIOSPHMJTXQG-LJQANCHMSA-N 2 1 375.520 3.789 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccncc3)cc2)C1 ZINC000657310881 846002348 /nfs/dbraw/zinc/00/23/48/846002348.db2.gz QTNIOSPHMJTXQG-LJQANCHMSA-N 2 1 375.520 3.789 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@@H](C)C1 ZINC000481539794 861631413 /nfs/dbraw/zinc/63/14/13/861631413.db2.gz YVALPQSFDRAHLG-GMAHTHKFSA-N 2 1 388.596 3.770 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1F ZINC000657329066 846259331 /nfs/dbraw/zinc/25/93/31/846259331.db2.gz IVUXZUHACAREAF-FQEVSTJZSA-N 2 1 381.451 3.777 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000673772763 861657364 /nfs/dbraw/zinc/65/73/64/861657364.db2.gz ICQOEFPRHRAUNT-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000502648267 846314120 /nfs/dbraw/zinc/31/41/20/846314120.db2.gz MLURRNAVQPVOSN-HJLBWTBNSA-N 2 1 378.605 3.592 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000657338013 846340543 /nfs/dbraw/zinc/34/05/43/846340543.db2.gz GHCWTBGBTIJYCH-CTNGQTDRSA-N 2 1 386.561 3.918 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)c1 ZINC000657338013 846340552 /nfs/dbraw/zinc/34/05/52/846340552.db2.gz GHCWTBGBTIJYCH-CTNGQTDRSA-N 2 1 386.561 3.918 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000502838339 846533121 /nfs/dbraw/zinc/53/31/21/846533121.db2.gz DAHBWOLNBJZVRP-RTBURBONSA-N 2 1 392.613 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000502842276 846534557 /nfs/dbraw/zinc/53/45/57/846534557.db2.gz JEUCPBMLZHYPAU-HBMCJLEFSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000502842276 846534568 /nfs/dbraw/zinc/53/45/68/846534568.db2.gz JEUCPBMLZHYPAU-HBMCJLEFSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000502842276 846534580 /nfs/dbraw/zinc/53/45/80/846534580.db2.gz JEUCPBMLZHYPAU-HBMCJLEFSA-N 2 1 380.621 3.698 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000501029599 846547295 /nfs/dbraw/zinc/54/72/95/846547295.db2.gz SPEPPXXCCURBQK-UHFFFAOYSA-N 2 1 386.927 3.830 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000502856873 846553067 /nfs/dbraw/zinc/55/30/67/846553067.db2.gz BNNRQBAELLIAGR-UGKGYDQZSA-N 2 1 388.600 3.663 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000501022395 846557729 /nfs/dbraw/zinc/55/77/29/846557729.db2.gz JDIVDBMENXVNFE-XLIONFOSSA-N 2 1 392.975 3.508 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C(C)C)c(F)c1 ZINC000421842310 846632273 /nfs/dbraw/zinc/63/22/73/846632273.db2.gz NNTFZJGFFHFAKI-XXBNENTESA-N 2 1 386.511 3.888 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000501493871 846963313 /nfs/dbraw/zinc/96/33/13/846963313.db2.gz CWFAQBODJVDLHK-JTDSTZFVSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000501493871 846963324 /nfs/dbraw/zinc/96/33/24/846963324.db2.gz CWFAQBODJVDLHK-JTDSTZFVSA-N 2 1 380.964 3.505 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000509959164 846966662 /nfs/dbraw/zinc/96/66/62/846966662.db2.gz QCVOSIGLSWEOMW-UHFFFAOYSA-N 2 1 377.414 3.635 20 0 GHADMP C[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272534937 847104007 /nfs/dbraw/zinc/10/40/07/847104007.db2.gz PGIGSROAFIWUSR-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000420303491 847105295 /nfs/dbraw/zinc/10/52/95/847105295.db2.gz KLOJYKRTQBJYSY-IBGZPJMESA-N 2 1 386.923 3.986 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562535 847110832 /nfs/dbraw/zinc/11/08/32/847110832.db2.gz GYYJJWOTWNNJKM-YKSBVNFPSA-N 2 1 391.559 3.809 20 0 GHADMP Fc1ccc(C(CCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c2ccc(F)cc2)cc1 ZINC000420345891 847122477 /nfs/dbraw/zinc/12/24/77/847122477.db2.gz BWEIXLYVQHOUFN-QHCPKHFHSA-N 2 1 399.529 3.856 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272676486 847142922 /nfs/dbraw/zinc/14/29/22/847142922.db2.gz RAWMFRFDRYPJRU-AVRDEDQJSA-N 2 1 375.520 3.576 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420395130 847158072 /nfs/dbraw/zinc/15/80/72/847158072.db2.gz LACCGNJMTDKKGE-MZYLBHOOSA-N 2 1 399.579 3.603 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420395130 847158078 /nfs/dbraw/zinc/15/80/78/847158078.db2.gz LACCGNJMTDKKGE-MZYLBHOOSA-N 2 1 399.579 3.603 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000272735210 847159218 /nfs/dbraw/zinc/15/92/18/847159218.db2.gz JLENGQLOXYOZND-CVDCTZTESA-N 2 1 398.547 3.519 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000501793166 847195579 /nfs/dbraw/zinc/19/55/79/847195579.db2.gz LAXYOWHMUPEKJH-FQEVSTJZSA-N 2 1 389.584 3.701 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511124376 847223642 /nfs/dbraw/zinc/22/36/42/847223642.db2.gz SQCARNSNEWHAKZ-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511124376 847223654 /nfs/dbraw/zinc/22/36/54/847223654.db2.gz SQCARNSNEWHAKZ-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000501840629 847273036 /nfs/dbraw/zinc/27/30/36/847273036.db2.gz LIOQGCXWMRWQHU-HLNWXESRSA-N 2 1 390.572 3.661 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000430043242 847411960 /nfs/dbraw/zinc/41/19/60/847411960.db2.gz FIEXOMCTUMECBW-NRFANRHFSA-N 2 1 390.531 3.535 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000430043242 847411967 /nfs/dbraw/zinc/41/19/67/847411967.db2.gz FIEXOMCTUMECBW-NRFANRHFSA-N 2 1 390.531 3.535 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(N2CCCC2)c1 ZINC000420951243 847571278 /nfs/dbraw/zinc/57/12/78/847571278.db2.gz SJBBQNUJKCQYDG-HXUWFJFHSA-N 2 1 379.548 3.970 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3ccc4ccccc4c3)CC2)CC1 ZINC000421011351 847609091 /nfs/dbraw/zinc/60/90/91/847609091.db2.gz PCUVQRMFGYOMLP-UHFFFAOYSA-N 2 1 381.564 3.711 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC(C)(C)CC[NH3+])cc1)C[C@H]1CCCCO1 ZINC000422572939 847708807 /nfs/dbraw/zinc/70/88/07/847708807.db2.gz KNAFOAWCKOTXAO-HXUWFJFHSA-N 2 1 390.572 3.715 20 0 GHADMP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc[nH+]cc2Br)cc1 ZINC000503564117 847787149 /nfs/dbraw/zinc/78/71/49/847787149.db2.gz ZFCOOFIXCIYITI-GOSISDBHSA-N 2 1 376.298 3.524 20 0 GHADMP C[C@@H]([NH2+]CCSCCOc1cccc(Br)c1)c1c[nH+]ccc1N ZINC000422719665 847794915 /nfs/dbraw/zinc/79/49/15/847794915.db2.gz ZBSAEMASWYKIMT-CYBMUJFWSA-N 2 1 396.354 3.719 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854048 847856122 /nfs/dbraw/zinc/85/61/22/847856122.db2.gz CKHACIZXKZTUEH-ISKFKSNPSA-N 3 1 379.548 3.872 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854048 847856128 /nfs/dbraw/zinc/85/61/28/847856128.db2.gz CKHACIZXKZTUEH-ISKFKSNPSA-N 2 1 379.548 3.872 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854048 847856135 /nfs/dbraw/zinc/85/61/35/847856135.db2.gz CKHACIZXKZTUEH-ISKFKSNPSA-N 2 1 379.548 3.872 20 0 GHADMP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422873987 847875898 /nfs/dbraw/zinc/87/58/98/847875898.db2.gz MWRSAKMQWBBTOJ-VHDGCEQUSA-N 2 1 395.277 3.842 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502475661 847931865 /nfs/dbraw/zinc/93/18/65/847931865.db2.gz KXWQNRCNHBIQEU-WZONZLPQSA-N 2 1 382.552 3.806 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000582714790 848122408 /nfs/dbraw/zinc/12/24/08/848122408.db2.gz IUTQPCPIRFSHRA-QKYXUNIQSA-N 2 1 386.565 3.650 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)cc2)C1 ZINC000582734296 848201527 /nfs/dbraw/zinc/20/15/27/848201527.db2.gz JVWRNFQPEBBVMB-IBGZPJMESA-N 2 1 395.547 3.764 20 0 GHADMP COc1cc2ccccc2cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657598230 848299853 /nfs/dbraw/zinc/29/98/53/848299853.db2.gz YWGREIUVVDLMJR-QHCPKHFHSA-N 2 1 376.500 3.705 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000731896432 861943700 /nfs/dbraw/zinc/94/37/00/861943700.db2.gz GKCCXVJGCNNNFS-UHFFFAOYSA-N 2 1 377.598 3.994 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000475019277 861963897 /nfs/dbraw/zinc/96/38/97/861963897.db2.gz XUGMEBDXWUXPJB-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000475019277 861963906 /nfs/dbraw/zinc/96/39/06/861963906.db2.gz XUGMEBDXWUXPJB-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000248037460 849224786 /nfs/dbraw/zinc/22/47/86/849224786.db2.gz UZDKLJMOSQCZQE-GGAORHGYSA-N 2 1 395.547 3.641 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000511235039 849322780 /nfs/dbraw/zinc/32/27/80/849322780.db2.gz PKBCKRDOFKUQMQ-RBUKOAKNSA-N 2 1 386.584 3.846 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583231568 849389200 /nfs/dbraw/zinc/38/92/00/849389200.db2.gz NOSWDUCTCABQHC-IMLZRQKTSA-N 2 1 386.486 3.683 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583231568 849389207 /nfs/dbraw/zinc/38/92/07/849389207.db2.gz NOSWDUCTCABQHC-IMLZRQKTSA-N 2 1 386.486 3.683 20 0 GHADMP Cc1ccc(COc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000657750269 849599383 /nfs/dbraw/zinc/59/93/83/849599383.db2.gz FZAVJBDQZBNWSF-HSZRJFAPSA-N 2 1 380.532 3.917 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000080190185 849722919 /nfs/dbraw/zinc/72/29/19/849722919.db2.gz CUXCNJBXQUJTPX-UHFFFAOYSA-N 2 1 377.536 3.574 20 0 GHADMP Brc1sccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423114908 849745732 /nfs/dbraw/zinc/74/57/32/849745732.db2.gz MMOWFCPFDUKSAE-YOEHRIQHSA-N 2 1 379.323 3.856 20 0 GHADMP CC[NH+]1CCN(C[C@H](C)CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1 ZINC000899874090 862057935 /nfs/dbraw/zinc/05/79/35/862057935.db2.gz LYFNNMVMKNJSOA-OAHLLOKOSA-N 2 1 396.457 3.819 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000522560423 862066380 /nfs/dbraw/zinc/06/63/80/862066380.db2.gz LQYNRKVKFRVEJZ-ZCNNSNEGSA-N 2 1 386.584 3.774 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423346597 849864581 /nfs/dbraw/zinc/86/45/81/849864581.db2.gz YUADBZQOVJRCMW-UOYQKJQJSA-N 2 1 393.575 3.641 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000080338986 849871552 /nfs/dbraw/zinc/87/15/52/849871552.db2.gz PUCPPWDTDGYBHF-REWPJTCUSA-N 2 1 379.548 3.666 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423471475 849938406 /nfs/dbraw/zinc/93/84/06/849938406.db2.gz MEPDPLRVDCKTRK-FXCLAUTBSA-N 2 1 399.510 3.837 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)c1ccccc1 ZINC000504199024 849966714 /nfs/dbraw/zinc/96/67/14/849966714.db2.gz HVSHFOOAXOVLFV-HSZRJFAPSA-N 2 1 394.563 3.849 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)c1ccccc1 ZINC000504199024 849966723 /nfs/dbraw/zinc/96/67/23/849966723.db2.gz HVSHFOOAXOVLFV-HSZRJFAPSA-N 2 1 394.563 3.849 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000504425917 850059859 /nfs/dbraw/zinc/05/98/59/850059859.db2.gz DKBWOQBKKQWANJ-FCEUIQTBSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1)C[C@H]1CCCCO1 ZINC000425331029 850335618 /nfs/dbraw/zinc/33/56/18/850335618.db2.gz BKQNRNQOZMGZOS-JOCHJYFZSA-N 2 1 399.583 3.878 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1)C[C@H]1CCCCO1 ZINC000425331029 850335627 /nfs/dbraw/zinc/33/56/27/850335627.db2.gz BKQNRNQOZMGZOS-JOCHJYFZSA-N 2 1 399.583 3.878 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000514817210 850343759 /nfs/dbraw/zinc/34/37/59/850343759.db2.gz AKNLONUXRLPXAX-NHCICSSKSA-N 2 1 380.532 3.618 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424371671 850410660 /nfs/dbraw/zinc/41/06/60/850410660.db2.gz DXRJTCMNRBHRFH-GOSISDBHSA-N 2 1 381.520 3.633 20 0 GHADMP CCOc1c(Br)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424382417 850420850 /nfs/dbraw/zinc/42/08/50/850420850.db2.gz SEOXACMVJAJHJI-AWEZNQCLSA-N 2 1 397.357 3.820 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435379893 850445281 /nfs/dbraw/zinc/44/52/81/850445281.db2.gz LBMPDWLGCKXEDX-RXVVDRJESA-N 2 1 375.520 3.553 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)[C@H](C(C)C)C3)c2c1C ZINC000487159077 850506118 /nfs/dbraw/zinc/50/61/18/850506118.db2.gz WJMGLHJORLPGMG-KRWDZBQOSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)[C@H](C(C)C)C3)c2c1C ZINC000487159077 850506124 /nfs/dbraw/zinc/50/61/24/850506124.db2.gz WJMGLHJORLPGMG-KRWDZBQOSA-N 2 1 387.597 3.680 20 0 GHADMP COc1ccc([C@@H](C)N(C)C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000637905791 850528809 /nfs/dbraw/zinc/52/88/09/850528809.db2.gz PPKOWDYCGHTTOK-LJQANCHMSA-N 2 1 395.547 3.598 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000519141906 850662382 /nfs/dbraw/zinc/66/23/82/850662382.db2.gz SNGKSDIATSNFLA-REWPJTCUSA-N 2 1 382.548 3.858 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000519141905 850662468 /nfs/dbraw/zinc/66/24/68/850662468.db2.gz SNGKSDIATSNFLA-OFNKIYASSA-N 2 1 382.548 3.858 20 0 GHADMP COc1cc(Br)c(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414815904 850709245 /nfs/dbraw/zinc/70/92/45/850709245.db2.gz YUUPFPSTSCLZFY-GFCCVEGCSA-N 2 1 379.298 3.776 20 0 GHADMP CCOc1ccccc1OCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688630 850767945 /nfs/dbraw/zinc/76/79/45/850767945.db2.gz RHEMTXKKQHPVPG-LJQANCHMSA-N 2 1 387.549 3.565 20 0 GHADMP CCOc1ccccc1OCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688630 850767950 /nfs/dbraw/zinc/76/79/50/850767950.db2.gz RHEMTXKKQHPVPG-LJQANCHMSA-N 2 1 387.549 3.565 20 0 GHADMP O=c1[nH]c(CC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)nc2ccccc12 ZINC000435690854 850769640 /nfs/dbraw/zinc/76/96/40/850769640.db2.gz DUBFOCJKPPOYLU-LJQANCHMSA-N 2 1 394.544 3.584 20 0 GHADMP Clc1ccc(OCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435693022 850771665 /nfs/dbraw/zinc/77/16/65/850771665.db2.gz ICZMENXYFAYEEH-QGZVFWFLSA-N 2 1 377.941 3.820 20 0 GHADMP Clc1ccc(OCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435693022 850771672 /nfs/dbraw/zinc/77/16/72/850771672.db2.gz ICZMENXYFAYEEH-QGZVFWFLSA-N 2 1 377.941 3.820 20 0 GHADMP CCc1ccccc1NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695858 850776439 /nfs/dbraw/zinc/77/64/39/850776439.db2.gz OBRGWXMJYQPWHM-HXUWFJFHSA-N 2 1 383.561 3.893 20 0 GHADMP CCc1ccccc1NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435695858 850776444 /nfs/dbraw/zinc/77/64/44/850776444.db2.gz OBRGWXMJYQPWHM-HXUWFJFHSA-N 2 1 383.561 3.893 20 0 GHADMP c1cc(C[N@H+](CCc2nc(-c3ccccc3)no2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435697527 850778932 /nfs/dbraw/zinc/77/89/32/850778932.db2.gz YPDQJCWZDHNPNE-LJQANCHMSA-N 2 1 394.544 3.985 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487872940 850960059 /nfs/dbraw/zinc/96/00/59/850960059.db2.gz KTKASJMLLMRAGG-XZOQPEGZSA-N 2 1 383.580 3.766 20 0 GHADMP CO[C@@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(Cl)cc1 ZINC000513903216 850995092 /nfs/dbraw/zinc/99/50/92/850995092.db2.gz BRAJUUKRGOTXGL-FVJLSDCUSA-N 2 1 380.960 3.849 20 0 GHADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000519399637 851005387 /nfs/dbraw/zinc/00/53/87/851005387.db2.gz YPUOIIVFNFQRPN-DHIUTWEWSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000519399637 851005400 /nfs/dbraw/zinc/00/54/00/851005400.db2.gz YPUOIIVFNFQRPN-DHIUTWEWSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000555927678 862206681 /nfs/dbraw/zinc/20/66/81/862206681.db2.gz FJOMSSZNLRDOSK-PMACEKPBSA-N 2 1 384.430 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000555927678 862206694 /nfs/dbraw/zinc/20/66/94/862206694.db2.gz FJOMSSZNLRDOSK-PMACEKPBSA-N 2 1 384.430 3.566 20 0 GHADMP Fc1cccc(Cc2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)c1 ZINC000488152037 851207088 /nfs/dbraw/zinc/20/70/88/851207088.db2.gz PXXJIXPZFOAEQS-UHFFFAOYSA-N 2 1 386.515 3.888 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168374343 851253584 /nfs/dbraw/zinc/25/35/84/851253584.db2.gz ZPCOEOIIWWAMHT-JOCHJYFZSA-N 2 1 377.573 3.726 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC000894554391 851700463 /nfs/dbraw/zinc/70/04/63/851700463.db2.gz AUUGXIADYLHRFH-NJYVYQBISA-N 2 1 376.516 3.512 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1Cl ZINC000042911059 851798295 /nfs/dbraw/zinc/79/82/95/851798295.db2.gz GYBYSNBGDOKPHY-KRWDZBQOSA-N 2 1 380.964 3.551 20 0 GHADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000180734220 862305680 /nfs/dbraw/zinc/30/56/80/862305680.db2.gz RJUYIXOCSLZRID-QAPCUYQASA-N 2 1 377.326 3.641 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000180734220 862305693 /nfs/dbraw/zinc/30/56/93/862305693.db2.gz RJUYIXOCSLZRID-QAPCUYQASA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000180734220 862305705 /nfs/dbraw/zinc/30/57/05/862305705.db2.gz RJUYIXOCSLZRID-QAPCUYQASA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@@H]21 ZINC000180734220 862305717 /nfs/dbraw/zinc/30/57/17/862305717.db2.gz RJUYIXOCSLZRID-QAPCUYQASA-N 2 1 377.326 3.641 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000473789786 851995675 /nfs/dbraw/zinc/99/56/75/851995675.db2.gz ZJHGKIWKMKERGB-KCZVDYSFSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000473789786 851995690 /nfs/dbraw/zinc/99/56/90/851995690.db2.gz ZJHGKIWKMKERGB-KCZVDYSFSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000473789786 851995702 /nfs/dbraw/zinc/99/57/02/851995702.db2.gz ZJHGKIWKMKERGB-KCZVDYSFSA-N 2 1 386.584 3.585 20 0 GHADMP COc1ccsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550270199 852230513 /nfs/dbraw/zinc/23/05/13/852230513.db2.gz IVZXRLYGAOWFKW-IBGZPJMESA-N 2 1 386.561 3.775 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000506926008 852345292 /nfs/dbraw/zinc/34/52/92/852345292.db2.gz CCGFVKSHYURGOZ-UHFFFAOYSA-N 2 1 377.330 3.613 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000506931185 852357648 /nfs/dbraw/zinc/35/76/48/852357648.db2.gz PYDGHOWRCQDGCQ-UHFFFAOYSA-N 2 1 384.524 3.749 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000506940011 852370382 /nfs/dbraw/zinc/37/03/82/852370382.db2.gz LMBHELDHXCKXQW-SFTDATJTSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000506940011 852370388 /nfs/dbraw/zinc/37/03/88/852370388.db2.gz LMBHELDHXCKXQW-SFTDATJTSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000506940011 852370391 /nfs/dbraw/zinc/37/03/91/852370391.db2.gz LMBHELDHXCKXQW-SFTDATJTSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000506958460 852385626 /nfs/dbraw/zinc/38/56/26/852385626.db2.gz YRUBLRKFSKNQCB-LNRXMEIDSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506958460 852385632 /nfs/dbraw/zinc/38/56/32/852385632.db2.gz YRUBLRKFSKNQCB-LNRXMEIDSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506958460 852385639 /nfs/dbraw/zinc/38/56/39/852385639.db2.gz YRUBLRKFSKNQCB-LNRXMEIDSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489631572 852497764 /nfs/dbraw/zinc/49/77/64/852497764.db2.gz DLLRNKVDDQPASY-XMMPIXPASA-N 2 1 396.575 3.887 20 0 GHADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984506 852542447 /nfs/dbraw/zinc/54/24/47/852542447.db2.gz PJOFSJAKVRUQCS-ZZPLLCAGSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984506 852542453 /nfs/dbraw/zinc/54/24/53/852542453.db2.gz PJOFSJAKVRUQCS-ZZPLLCAGSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984506 852542459 /nfs/dbraw/zinc/54/24/59/852542459.db2.gz PJOFSJAKVRUQCS-ZZPLLCAGSA-N 2 1 391.600 3.875 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000437132020 852762494 /nfs/dbraw/zinc/76/24/94/852762494.db2.gz DMOGVLPUZJLZIH-JOCHJYFZSA-N 2 1 382.552 3.782 20 0 GHADMP CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507382628 852866568 /nfs/dbraw/zinc/86/65/68/852866568.db2.gz QRYAYRZTULDGCN-FQEVSTJZSA-N 2 1 375.582 3.684 20 0 GHADMP O=c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C2CC2)[nH]1 ZINC000518117954 852872959 /nfs/dbraw/zinc/87/29/59/852872959.db2.gz WRHUQMGGVIXUSJ-UHFFFAOYSA-N 2 1 378.520 3.548 20 0 GHADMP CCc1cccnc1[C@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000507490843 852971806 /nfs/dbraw/zinc/97/18/06/852971806.db2.gz AOOPSLAYPZNZOQ-NRFANRHFSA-N 2 1 380.580 3.893 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](F)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167961973 852977328 /nfs/dbraw/zinc/97/73/28/852977328.db2.gz RFVGPDMAAUPOOW-MFXLTOHQSA-N 2 1 395.563 3.721 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](F)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167961973 852977336 /nfs/dbraw/zinc/97/73/36/852977336.db2.gz RFVGPDMAAUPOOW-MFXLTOHQSA-N 2 1 395.563 3.721 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000638568857 853116075 /nfs/dbraw/zinc/11/60/75/853116075.db2.gz WEQSUXAJDWPZMA-IIBYNOLFSA-N 2 1 385.531 3.503 20 0 GHADMP C[C@@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000437473896 853176021 /nfs/dbraw/zinc/17/60/21/853176021.db2.gz MSEMPRGEYRLJKZ-RTWAWAEBSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000437473896 853176029 /nfs/dbraw/zinc/17/60/29/853176029.db2.gz MSEMPRGEYRLJKZ-RTWAWAEBSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000437473896 853176034 /nfs/dbraw/zinc/17/60/34/853176034.db2.gz MSEMPRGEYRLJKZ-RTWAWAEBSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000437473896 853176039 /nfs/dbraw/zinc/17/60/39/853176039.db2.gz MSEMPRGEYRLJKZ-RTWAWAEBSA-N 2 1 391.559 3.556 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000438997681 853187020 /nfs/dbraw/zinc/18/70/20/853187020.db2.gz JMIFRKSFRMKAEA-WIYYLYMNSA-N 2 1 395.547 3.869 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000438997681 853187029 /nfs/dbraw/zinc/18/70/29/853187029.db2.gz JMIFRKSFRMKAEA-WIYYLYMNSA-N 2 1 395.547 3.869 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000518347893 853226269 /nfs/dbraw/zinc/22/62/69/853226269.db2.gz MGVRYXCNWUIHPA-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000518347893 853226276 /nfs/dbraw/zinc/22/62/76/853226276.db2.gz MGVRYXCNWUIHPA-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP CC[C@@]1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]1 ZINC000518376886 853274153 /nfs/dbraw/zinc/27/41/53/853274153.db2.gz FPUNLRUYKQNDRK-IBGZPJMESA-N 2 1 384.351 3.606 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](c4ccccc4)C[C@@H]3C)CC2)CC1 ZINC000519700698 853385859 /nfs/dbraw/zinc/38/58/59/853385859.db2.gz GHXNNEHZXOCMAD-SIKLNZKXSA-N 2 1 383.580 3.587 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000426303338 853395105 /nfs/dbraw/zinc/39/51/05/853395105.db2.gz MKUSBTFYHTUQIP-MDNUFGMLSA-N 2 1 387.527 3.539 20 0 GHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000163930113 853634269 /nfs/dbraw/zinc/63/42/69/853634269.db2.gz PGKPXGDAURGZIT-LJQANCHMSA-N 2 1 386.971 3.984 20 0 GHADMP c1nc2c(s1)CCC[C@H]2[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000623867196 862485476 /nfs/dbraw/zinc/48/54/76/862485476.db2.gz SZEJSJPRFSFNKX-HXUWFJFHSA-N 2 1 384.593 3.708 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000518709037 853671549 /nfs/dbraw/zinc/67/15/49/853671549.db2.gz GQZUNJVKZUQAOZ-JOCHJYFZSA-N 2 1 388.600 3.934 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623888380 862502489 /nfs/dbraw/zinc/50/24/89/862502489.db2.gz DUTXNUXSSXVOHK-RTWAWAEBSA-N 2 1 379.589 3.846 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)C2)CC1 ZINC000520289621 854035222 /nfs/dbraw/zinc/03/52/22/854035222.db2.gz IZNIWHGIWIKEEH-OAHLLOKOSA-N 2 1 394.350 3.738 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)C2)CC1 ZINC000520289621 854035227 /nfs/dbraw/zinc/03/52/27/854035227.db2.gz IZNIWHGIWIKEEH-OAHLLOKOSA-N 2 1 394.350 3.738 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000164609052 854093192 /nfs/dbraw/zinc/09/31/92/854093192.db2.gz GRFOVQICSCLALM-MRXNPFEDSA-N 2 1 376.932 3.813 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC1CC(C(C)(C)C)C1 ZINC000458858457 854142965 /nfs/dbraw/zinc/14/29/65/854142965.db2.gz SKFXYLKMQXVZDF-UHFFFAOYSA-N 2 1 392.632 3.649 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000441369613 854152221 /nfs/dbraw/zinc/15/22/21/854152221.db2.gz FCYWNGAYIWSVRA-LSDHHAIUSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000441369613 854152225 /nfs/dbraw/zinc/15/22/25/854152225.db2.gz FCYWNGAYIWSVRA-LSDHHAIUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000441369613 854152231 /nfs/dbraw/zinc/15/22/31/854152231.db2.gz FCYWNGAYIWSVRA-LSDHHAIUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000441369613 854152235 /nfs/dbraw/zinc/15/22/35/854152235.db2.gz FCYWNGAYIWSVRA-LSDHHAIUSA-N 2 1 375.340 3.539 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4ncco4)c3C)CC2)CC1 ZINC000572377326 854493933 /nfs/dbraw/zinc/49/39/33/854493933.db2.gz AZQZWIUMLHOISF-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000481990103 862584489 /nfs/dbraw/zinc/58/44/89/862584489.db2.gz IGRYUWBZKLRLQV-UZLBHIALSA-N 2 1 392.465 3.993 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167996003 854638702 /nfs/dbraw/zinc/63/87/02/854638702.db2.gz UZQFIQJDNWQAGJ-VJSBLZMESA-N 2 1 389.584 3.912 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167996003 854638712 /nfs/dbraw/zinc/63/87/12/854638712.db2.gz UZQFIQJDNWQAGJ-VJSBLZMESA-N 2 1 389.584 3.912 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996003 854638718 /nfs/dbraw/zinc/63/87/18/854638718.db2.gz UZQFIQJDNWQAGJ-VJSBLZMESA-N 2 1 389.584 3.912 20 0 GHADMP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(Br)c1OC ZINC000069754074 854692940 /nfs/dbraw/zinc/69/29/40/854692940.db2.gz KLPKZVACNUGIAI-UHFFFAOYSA-N 2 1 382.302 3.541 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000589210403 854751391 /nfs/dbraw/zinc/75/13/91/854751391.db2.gz XLDXXSCGYKXGOA-APWZRJJASA-N 2 1 380.964 3.506 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765791550 854820134 /nfs/dbraw/zinc/82/01/34/854820134.db2.gz MUBWYLBMKBYSKW-PMVMPFDFSA-N 2 1 384.495 3.571 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765791550 854820138 /nfs/dbraw/zinc/82/01/38/854820138.db2.gz MUBWYLBMKBYSKW-PMVMPFDFSA-N 2 1 384.495 3.571 20 0 GHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000572786863 854989207 /nfs/dbraw/zinc/98/92/07/854989207.db2.gz UBIGKTSNRMXEOQ-FJIJXJHWSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000572786863 854989214 /nfs/dbraw/zinc/98/92/14/854989214.db2.gz UBIGKTSNRMXEOQ-FJIJXJHWSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000572786863 854989218 /nfs/dbraw/zinc/98/92/18/854989218.db2.gz UBIGKTSNRMXEOQ-FJIJXJHWSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000572786863 854989220 /nfs/dbraw/zinc/98/92/20/854989220.db2.gz UBIGKTSNRMXEOQ-FJIJXJHWSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000572786863 854989225 /nfs/dbraw/zinc/98/92/25/854989225.db2.gz UBIGKTSNRMXEOQ-FJIJXJHWSA-N 2 1 385.596 3.520 20 0 GHADMP CC[C@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)[NH+]1CCc2ccccc2C1 ZINC000590395800 855388375 /nfs/dbraw/zinc/38/83/75/855388375.db2.gz ILCIHSLFNMCBGH-PKTZIBPZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@H](CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)[NH+]1CCc2ccccc2C1 ZINC000590395800 855388385 /nfs/dbraw/zinc/38/83/85/855388385.db2.gz ILCIHSLFNMCBGH-PKTZIBPZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000590395800 855388395 /nfs/dbraw/zinc/38/83/95/855388395.db2.gz ILCIHSLFNMCBGH-PKTZIBPZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)CC)[N@H+]1CCc2ccccc2C1 ZINC000590395800 855388400 /nfs/dbraw/zinc/38/84/00/855388400.db2.gz ILCIHSLFNMCBGH-PKTZIBPZSA-N 2 1 379.548 3.633 20 0 GHADMP CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459092119 855452417 /nfs/dbraw/zinc/45/24/17/855452417.db2.gz FROOXRVWWXVLNP-WMZHIEFXSA-N 2 1 398.595 3.870 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000455929028 862688266 /nfs/dbraw/zinc/68/82/66/862688266.db2.gz OBRSURYXXGJXRR-MGPUTAFESA-N 2 1 398.576 3.865 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000455929028 862688275 /nfs/dbraw/zinc/68/82/75/862688275.db2.gz OBRSURYXXGJXRR-MGPUTAFESA-N 2 1 398.576 3.865 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000465715449 855667081 /nfs/dbraw/zinc/66/70/81/855667081.db2.gz JXNAIQXLSFMRCA-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000465715449 855667087 /nfs/dbraw/zinc/66/70/87/855667087.db2.gz JXNAIQXLSFMRCA-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000465715449 855667090 /nfs/dbraw/zinc/66/70/90/855667090.db2.gz JXNAIQXLSFMRCA-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000520579787 855701011 /nfs/dbraw/zinc/70/10/11/855701011.db2.gz MZBLNUVNHWDFII-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000520612935 855794869 /nfs/dbraw/zinc/79/48/69/855794869.db2.gz IUONLNMTQJZWGS-NZQKXSOJSA-N 2 1 398.595 3.831 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)C2)CC1 ZINC000573112661 855848210 /nfs/dbraw/zinc/84/82/10/855848210.db2.gz GZRFKMQQSDIYNO-SANMLTNESA-N 2 1 391.603 3.800 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(Br)c2)[C@@H](C)C1 ZINC000573103958 855867640 /nfs/dbraw/zinc/86/76/40/855867640.db2.gz HTVZYPBYXYBBEQ-MPGHIAIKSA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(Br)c2)[C@@H](C)C1 ZINC000573103958 855867647 /nfs/dbraw/zinc/86/76/47/855867647.db2.gz HTVZYPBYXYBBEQ-MPGHIAIKSA-N 2 1 384.362 3.632 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000591407131 855962341 /nfs/dbraw/zinc/96/23/41/855962341.db2.gz JOVUSAURSTWYEY-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000591407131 855962361 /nfs/dbraw/zinc/96/23/61/855962361.db2.gz JOVUSAURSTWYEY-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000591407131 855962374 /nfs/dbraw/zinc/96/23/74/855962374.db2.gz JOVUSAURSTWYEY-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000542840685 856107023 /nfs/dbraw/zinc/10/70/23/856107023.db2.gz CZQPTQHTTDMOII-LJQANCHMSA-N 2 1 381.358 3.869 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000674308150 856153222 /nfs/dbraw/zinc/15/32/22/856153222.db2.gz RQVNNPLKHFIQJK-ICSRJNTNSA-N 2 1 383.536 3.904 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000605087061 862773598 /nfs/dbraw/zinc/77/35/98/862773598.db2.gz DDUKLGPGMMKOBK-UHFFFAOYSA-N 2 1 394.519 3.797 20 0 GHADMP C[C@@H]1CC([NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168008833 856370850 /nfs/dbraw/zinc/37/08/50/856370850.db2.gz GBVUBSXICDGODD-QZTJIDSGSA-N 2 1 386.561 3.621 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000172525436 856466862 /nfs/dbraw/zinc/46/68/62/856466862.db2.gz MTRZSPKLBVKUSE-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000485428253 856489322 /nfs/dbraw/zinc/48/93/22/856489322.db2.gz ZWEKPSRLDDMCDP-INIZCTEOSA-N 2 1 383.458 3.698 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000485428253 856489327 /nfs/dbraw/zinc/48/93/27/856489327.db2.gz ZWEKPSRLDDMCDP-INIZCTEOSA-N 2 1 383.458 3.698 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000485428253 856489332 /nfs/dbraw/zinc/48/93/32/856489332.db2.gz ZWEKPSRLDDMCDP-INIZCTEOSA-N 2 1 383.458 3.698 20 0 GHADMP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000573806852 856491158 /nfs/dbraw/zinc/49/11/58/856491158.db2.gz PQZYOBQXKAXOOX-QGZVFWFLSA-N 2 1 398.576 3.597 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000674040585 862824959 /nfs/dbraw/zinc/82/49/59/862824959.db2.gz KVYYNUIUMIMPIY-FQEVSTJZSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000465880320 856735152 /nfs/dbraw/zinc/73/51/52/856735152.db2.gz RLNPIAGGIPUFMD-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465880320 856735162 /nfs/dbraw/zinc/73/51/62/856735162.db2.gz RLNPIAGGIPUFMD-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000465880320 856735167 /nfs/dbraw/zinc/73/51/67/856735167.db2.gz RLNPIAGGIPUFMD-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000465880320 856735173 /nfs/dbraw/zinc/73/51/73/856735173.db2.gz RLNPIAGGIPUFMD-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000465880320 856735186 /nfs/dbraw/zinc/73/51/86/856735186.db2.gz RLNPIAGGIPUFMD-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP C[C@]1(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC001270934507 856845374 /nfs/dbraw/zinc/84/53/74/856845374.db2.gz JZLNKZQZUOVATQ-XMMPIXPASA-N 2 1 395.547 3.908 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C3)cc1 ZINC000665251483 856988505 /nfs/dbraw/zinc/98/85/05/856988505.db2.gz QAMBJSYPBXZVPH-QERLCLQCSA-N 2 1 375.560 3.917 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(c3nc(CC)no3)CC2)cc1 ZINC000665255110 857060075 /nfs/dbraw/zinc/06/00/75/857060075.db2.gz JCNJYLIAQBHWLF-RQWVFBBXSA-N 2 1 398.551 3.792 20 0 GHADMP CN(C)C(=O)c1cccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000921906664 857072423 /nfs/dbraw/zinc/07/24/23/857072423.db2.gz AEXKEUBTKONJTE-UHFFFAOYSA-N 2 1 394.563 3.779 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000675194806 857089032 /nfs/dbraw/zinc/08/90/32/857089032.db2.gz RFOMRMDTXGLUCN-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000675194813 857090118 /nfs/dbraw/zinc/09/01/18/857090118.db2.gz RFOMRMDTXGLUCN-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000508307475 857149359 /nfs/dbraw/zinc/14/93/59/857149359.db2.gz GDPGUVPPZQQSMK-UHFFFAOYSA-N 2 1 393.575 3.919 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000508307475 857149365 /nfs/dbraw/zinc/14/93/65/857149365.db2.gz GDPGUVPPZQQSMK-UHFFFAOYSA-N 2 1 393.575 3.919 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428147695 857152654 /nfs/dbraw/zinc/15/26/54/857152654.db2.gz UAOXQYGVBGJSJO-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428224291 857205497 /nfs/dbraw/zinc/20/54/97/857205497.db2.gz CJDNVAAZMSBPAL-ZFFYZDHPSA-N 3 1 399.623 3.504 20 0 GHADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428224291 857205509 /nfs/dbraw/zinc/20/55/09/857205509.db2.gz CJDNVAAZMSBPAL-ZFFYZDHPSA-N 3 1 399.623 3.504 20 0 GHADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428224291 857205521 /nfs/dbraw/zinc/20/55/21/857205521.db2.gz CJDNVAAZMSBPAL-ZFFYZDHPSA-N 3 1 399.623 3.504 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785417235 862886718 /nfs/dbraw/zinc/88/67/18/862886718.db2.gz BCLQGKFETDNJQC-UHFFFAOYSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000057775432 857234019 /nfs/dbraw/zinc/23/40/19/857234019.db2.gz SNQHPZKLFFKYOW-GOSISDBHSA-N 2 1 392.613 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000574150528 857237838 /nfs/dbraw/zinc/23/78/38/857237838.db2.gz CRXFZIFKXLBEJC-LJQANCHMSA-N 2 1 376.504 3.730 20 0 GHADMP CCCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486025614 857355968 /nfs/dbraw/zinc/35/59/68/857355968.db2.gz CNYIVSYBTWGMKX-NHCUHLMSSA-N 2 1 380.536 3.664 20 0 GHADMP CCCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486025614 857355977 /nfs/dbraw/zinc/35/59/77/857355977.db2.gz CNYIVSYBTWGMKX-NHCUHLMSSA-N 2 1 380.536 3.664 20 0 GHADMP [NH3+][C@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417989870 857540157 /nfs/dbraw/zinc/54/01/57/857540157.db2.gz JWUFEZCYYFQMCH-WMZOPIPTSA-N 2 1 399.366 3.527 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000062427056 857569252 /nfs/dbraw/zinc/56/92/52/857569252.db2.gz MCKKKPOKKCNMPR-IBGZPJMESA-N 2 1 375.520 3.754 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(-n2cnnn2)c1 ZINC000675748351 857597686 /nfs/dbraw/zinc/59/76/86/857597686.db2.gz ZWWMPMUKGWMEDK-RTBURBONSA-N 2 1 390.535 3.745 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CCO2)cc1 ZINC001168589219 857652647 /nfs/dbraw/zinc/65/26/47/857652647.db2.gz LPGUYXDEMQYGFN-LADGPHEKSA-N 2 1 396.531 3.537 20 0 GHADMP Clc1ccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)co2)cc1 ZINC000064344403 857697627 /nfs/dbraw/zinc/69/76/27/857697627.db2.gz FACFXAAIPSYHHX-UHFFFAOYSA-N 2 1 389.927 3.929 20 0 GHADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000521175683 857705587 /nfs/dbraw/zinc/70/55/87/857705587.db2.gz ODYQLHUPKOFGOV-HXUWFJFHSA-N 2 1 394.563 3.602 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740787 857748547 /nfs/dbraw/zinc/74/85/47/857748547.db2.gz FCEWSEYZXKDXDX-UWJYYQICSA-N 2 1 394.519 3.563 20 0 GHADMP C[N@@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000065451067 857798994 /nfs/dbraw/zinc/79/89/94/857798994.db2.gz CPUGDFPBWKRHHV-UHFFFAOYSA-N 2 1 394.563 3.969 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)[C@H](C)C1 ZINC000676541215 857932997 /nfs/dbraw/zinc/93/29/97/857932997.db2.gz PSQRFWFNGODJTA-HJNYFJLDSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccnn2C2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000066662944 857950835 /nfs/dbraw/zinc/95/08/35/857950835.db2.gz BYZGPLDQVZSAAI-UHFFFAOYSA-N 2 1 395.551 3.777 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC1 ZINC000521408777 857967208 /nfs/dbraw/zinc/96/72/08/857967208.db2.gz ZWVZYMMWODFIIR-UHFFFAOYSA-N 2 1 396.510 3.648 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181704787 862977584 /nfs/dbraw/zinc/97/75/84/862977584.db2.gz NMTPPMNUEAHGNY-OAHLLOKOSA-N 2 1 394.357 3.874 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000594311529 858037275 /nfs/dbraw/zinc/03/72/75/858037275.db2.gz XGRZRIGNSVPNSC-BGYRXZFFSA-N 2 1 378.605 3.547 20 0 GHADMP CCOc1ccc([C@H](CC)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OCC ZINC000442872869 858189600 /nfs/dbraw/zinc/18/96/00/858189600.db2.gz KDPILCVCSGADIU-IBGZPJMESA-N 2 1 377.573 3.551 20 0 GHADMP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876648 858198520 /nfs/dbraw/zinc/19/85/20/858198520.db2.gz QAMKXPMRFFUQGN-IBGZPJMESA-N 2 1 396.417 3.776 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442920078 858243839 /nfs/dbraw/zinc/24/38/39/858243839.db2.gz KVQJKMAIGYTUMK-MRXNPFEDSA-N 2 1 391.357 3.812 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000442923174 858246138 /nfs/dbraw/zinc/24/61/38/858246138.db2.gz QCZDZDQOKOQXNS-GOSISDBHSA-N 2 1 384.520 3.844 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)ccc1I ZINC000594926622 858307159 /nfs/dbraw/zinc/30/71/59/858307159.db2.gz URPVTPTVWJKYGZ-UHFFFAOYSA-N 2 1 389.668 3.629 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553008 858360070 /nfs/dbraw/zinc/36/00/70/858360070.db2.gz AIRRVHQQWLEVBP-NRERDWFFSA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553008 858360075 /nfs/dbraw/zinc/36/00/75/858360075.db2.gz AIRRVHQQWLEVBP-NRERDWFFSA-N 2 1 396.938 3.572 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCN(C4CCCCC4)C3=O)CC2)C1 ZINC000443096591 858375543 /nfs/dbraw/zinc/37/55/43/858375543.db2.gz RZMPQBORPSDHSW-STZQEDGTSA-N 2 1 375.601 3.943 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000067063011 858416229 /nfs/dbraw/zinc/41/62/29/858416229.db2.gz AEXYZOXNVFNJIK-FQEVSTJZSA-N 2 1 388.600 3.934 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000067062976 858416271 /nfs/dbraw/zinc/41/62/71/858416271.db2.gz PFUVPHGPIRGINU-HXUWFJFHSA-N 2 1 388.600 3.792 20 0 GHADMP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000443230249 858490679 /nfs/dbraw/zinc/49/06/79/858490679.db2.gz DERJSONQPBHSEO-KRWDZBQOSA-N 2 1 394.991 3.534 20 0 GHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000443230249 858490688 /nfs/dbraw/zinc/49/06/88/858490688.db2.gz DERJSONQPBHSEO-KRWDZBQOSA-N 2 1 394.991 3.534 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000508418266 858519961 /nfs/dbraw/zinc/51/99/61/858519961.db2.gz AMNWEJBTJZDYBR-AZUAARDMSA-N 2 1 394.629 3.891 20 0 GHADMP CCn1ccnc1C[N@H+](CCOc1cc(C)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000522001545 858527403 /nfs/dbraw/zinc/52/74/03/858527403.db2.gz WXYCHRKZJSXMTQ-OAQYLSRUSA-N 2 1 382.552 3.543 20 0 GHADMP CCn1ccnc1C[N@@H+](CCOc1cc(C)ccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000522001545 858527408 /nfs/dbraw/zinc/52/74/08/858527408.db2.gz WXYCHRKZJSXMTQ-OAQYLSRUSA-N 2 1 382.552 3.543 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000443324543 858568014 /nfs/dbraw/zinc/56/80/14/858568014.db2.gz DECZXLJENPZMQD-HYBUGGRVSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000466182642 858619533 /nfs/dbraw/zinc/61/95/33/858619533.db2.gz VXOZAMBPFUTBKV-NOTZXAQLSA-N 2 1 398.595 3.653 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000466182642 858619539 /nfs/dbraw/zinc/61/95/39/858619539.db2.gz VXOZAMBPFUTBKV-NOTZXAQLSA-N 2 1 398.595 3.653 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000522102272 858628209 /nfs/dbraw/zinc/62/82/09/858628209.db2.gz CCPVTCFWDGDFOM-LJQANCHMSA-N 2 1 380.621 3.649 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000522102272 858628214 /nfs/dbraw/zinc/62/82/14/858628214.db2.gz CCPVTCFWDGDFOM-LJQANCHMSA-N 2 1 380.621 3.649 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000522102272 858628218 /nfs/dbraw/zinc/62/82/18/858628218.db2.gz CCPVTCFWDGDFOM-LJQANCHMSA-N 2 1 380.621 3.649 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cs2)cc1 ZINC000595911930 858716656 /nfs/dbraw/zinc/71/66/56/858716656.db2.gz XIJXSNYNDRUJDG-DNVCBOLYSA-N 2 1 387.549 3.936 20 0 GHADMP COC1CC[NH+](C2(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CCCC2)CC1 ZINC000482636020 858725030 /nfs/dbraw/zinc/72/50/30/858725030.db2.gz LCKLJDDRSMTCKL-ZJSXRUAMSA-N 2 1 399.623 3.910 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2Cl)cc1 ZINC000183672209 858793036 /nfs/dbraw/zinc/79/30/36/858793036.db2.gz BONKXWXVHJZITD-KXBFYZLASA-N 2 1 385.895 3.925 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000474078906 858798225 /nfs/dbraw/zinc/79/82/25/858798225.db2.gz HOTKMASHABZAGV-VWNXMTODSA-N 2 1 380.532 3.644 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000474078906 858798230 /nfs/dbraw/zinc/79/82/30/858798230.db2.gz HOTKMASHABZAGV-VWNXMTODSA-N 2 1 380.532 3.644 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000482750040 858819069 /nfs/dbraw/zinc/81/90/69/858819069.db2.gz ASCQIPNUNPGHPR-MOPGFXCFSA-N 2 1 385.577 3.870 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000482843550 858912740 /nfs/dbraw/zinc/91/27/40/858912740.db2.gz NTBWMCHDKBSAFW-UTKZUKDTSA-N 2 1 395.938 3.921 20 0 GHADMP C[N@@H+](CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000184690888 858983048 /nfs/dbraw/zinc/98/30/48/858983048.db2.gz OKIISOGDXDOJCK-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP CCn1nc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c2ccccc21 ZINC000856551160 881368925 /nfs/dbraw/zinc/36/89/25/881368925.db2.gz LXKNFVOPVWVIDN-FQEVSTJZSA-N 2 1 393.535 3.556 20 0 GHADMP CCn1nc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c2ccccc21 ZINC000856551160 881368944 /nfs/dbraw/zinc/36/89/44/881368944.db2.gz LXKNFVOPVWVIDN-FQEVSTJZSA-N 2 1 393.535 3.556 20 0 GHADMP CCn1nc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c2ccccc21 ZINC000856551160 881368965 /nfs/dbraw/zinc/36/89/65/881368965.db2.gz LXKNFVOPVWVIDN-FQEVSTJZSA-N 2 1 393.535 3.556 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C/c3ccc(F)cc3F)C2)ccn1 ZINC000856551550 881369205 /nfs/dbraw/zinc/36/92/05/881369205.db2.gz UKCFCPGZORNVOJ-FNEOHHHZSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3F)C2)ccn1 ZINC000856551550 881369225 /nfs/dbraw/zinc/36/92/25/881369225.db2.gz UKCFCPGZORNVOJ-FNEOHHHZSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3F)C2)ccn1 ZINC000856551550 881369245 /nfs/dbraw/zinc/36/92/45/881369245.db2.gz UKCFCPGZORNVOJ-FNEOHHHZSA-N 2 1 387.474 3.978 20 0 GHADMP CCn1nc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c2ccccc21 ZINC000856551161 881371049 /nfs/dbraw/zinc/37/10/49/881371049.db2.gz LXKNFVOPVWVIDN-HXUWFJFHSA-N 2 1 393.535 3.556 20 0 GHADMP CCn1nc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c2ccccc21 ZINC000856551161 881371066 /nfs/dbraw/zinc/37/10/66/881371066.db2.gz LXKNFVOPVWVIDN-HXUWFJFHSA-N 2 1 393.535 3.556 20 0 GHADMP CCn1nc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c2ccccc21 ZINC000856551161 881371082 /nfs/dbraw/zinc/37/10/82/881371082.db2.gz LXKNFVOPVWVIDN-HXUWFJFHSA-N 2 1 393.535 3.556 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(Cl)c3)C2)ccn1 ZINC000856552069 881372481 /nfs/dbraw/zinc/37/24/81/881372481.db2.gz GQEKINQYEOLQOB-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(Cl)c3)C2)ccn1 ZINC000856552069 881372497 /nfs/dbraw/zinc/37/24/97/881372497.db2.gz GQEKINQYEOLQOB-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)ccn1 ZINC000856552069 881372517 /nfs/dbraw/zinc/37/25/17/881372517.db2.gz GQEKINQYEOLQOB-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)ccn1 ZINC000856552069 881372535 /nfs/dbraw/zinc/37/25/35/881372535.db2.gz GQEKINQYEOLQOB-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674921 859115416 /nfs/dbraw/zinc/11/54/16/859115416.db2.gz QHZSMJQBGQQFNJ-IXDOHACOSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674921 859115423 /nfs/dbraw/zinc/11/54/23/859115423.db2.gz QHZSMJQBGQQFNJ-IXDOHACOSA-N 2 1 377.960 3.760 20 0 GHADMP CCN(C(=O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000185696985 859117030 /nfs/dbraw/zinc/11/70/30/859117030.db2.gz WZZQRCCPWHSXPG-WSTZPKSXSA-N 2 1 389.559 3.978 20 0 GHADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000185696985 859117033 /nfs/dbraw/zinc/11/70/33/859117033.db2.gz WZZQRCCPWHSXPG-WSTZPKSXSA-N 2 1 389.559 3.978 20 0 GHADMP CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000185696985 859117038 /nfs/dbraw/zinc/11/70/38/859117038.db2.gz WZZQRCCPWHSXPG-WSTZPKSXSA-N 2 1 389.559 3.978 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(C(C)(C)C)s3)C2)ccn1 ZINC000856553613 881385394 /nfs/dbraw/zinc/38/53/94/881385394.db2.gz MOXINCHLBGIZDH-SFHVURJKSA-N 2 1 388.581 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)ccn1 ZINC000856553613 881385410 /nfs/dbraw/zinc/38/54/10/881385410.db2.gz MOXINCHLBGIZDH-SFHVURJKSA-N 2 1 388.581 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)s3)C2)ccn1 ZINC000856553613 881385425 /nfs/dbraw/zinc/38/54/25/881385425.db2.gz MOXINCHLBGIZDH-SFHVURJKSA-N 2 1 388.581 3.941 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(OC)c(OC)cc3C)C2)ccn1 ZINC000856554335 881387956 /nfs/dbraw/zinc/38/79/56/881387956.db2.gz RAZXQQZTIUAFIC-NRFANRHFSA-N 2 1 399.535 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3C)C2)ccn1 ZINC000856554335 881387989 /nfs/dbraw/zinc/38/79/89/881387989.db2.gz RAZXQQZTIUAFIC-NRFANRHFSA-N 2 1 399.535 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3C)C2)ccn1 ZINC000856554335 881388013 /nfs/dbraw/zinc/38/80/13/881388013.db2.gz RAZXQQZTIUAFIC-NRFANRHFSA-N 2 1 399.535 3.512 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000711504840 859160947 /nfs/dbraw/zinc/16/09/47/859160947.db2.gz KNPFSHSTEPNQIX-ZIBCJSCZSA-N 2 1 387.568 3.790 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1cccs1 ZINC000483148690 859182519 /nfs/dbraw/zinc/18/25/19/859182519.db2.gz CUHBAJHNXNOEBW-DBXWQHBBSA-N 2 1 389.609 3.902 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1cccs1 ZINC000483148690 859182524 /nfs/dbraw/zinc/18/25/24/859182524.db2.gz CUHBAJHNXNOEBW-DBXWQHBBSA-N 2 1 389.609 3.902 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1cccs1 ZINC000483148690 859182530 /nfs/dbraw/zinc/18/25/30/859182530.db2.gz CUHBAJHNXNOEBW-DBXWQHBBSA-N 2 1 389.609 3.902 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)[C@H](C)C1 ZINC000483164784 859198942 /nfs/dbraw/zinc/19/89/42/859198942.db2.gz AXGDJYODYOKEHC-HJNYFJLDSA-N 2 1 391.575 3.830 20 0 GHADMP C[C@@H]1C[C@@H](n2ccncc2=N[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025034 859227728 /nfs/dbraw/zinc/22/77/28/859227728.db2.gz AMFKMTUSGKWSBJ-ZFCUDEJISA-N 2 1 393.579 3.668 20 0 GHADMP O[C@@H](C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923335421 859232292 /nfs/dbraw/zinc/23/22/92/859232292.db2.gz MUEUDVOXJQDDHS-XLIONFOSSA-N 2 1 377.891 3.552 20 0 GHADMP O[C@@H](C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923335421 859232304 /nfs/dbraw/zinc/23/23/04/859232304.db2.gz MUEUDVOXJQDDHS-XLIONFOSSA-N 2 1 377.891 3.552 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000483297468 859277900 /nfs/dbraw/zinc/27/79/00/859277900.db2.gz PQPWGEDJIQIGCK-BGYRXZFFSA-N 2 1 388.600 3.638 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479944697 859301363 /nfs/dbraw/zinc/30/13/63/859301363.db2.gz WXDGYZUMJRHZRY-KDURUIRLSA-N 2 1 376.479 3.638 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479944697 859301370 /nfs/dbraw/zinc/30/13/70/859301370.db2.gz WXDGYZUMJRHZRY-KDURUIRLSA-N 2 1 376.479 3.638 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC001143140958 859375200 /nfs/dbraw/zinc/37/52/00/859375200.db2.gz YCEFLHIGVFNIQX-QHAWAJNXSA-N 2 1 385.596 3.850 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)C1 ZINC000429443459 859383220 /nfs/dbraw/zinc/38/32/20/859383220.db2.gz CYWWSMNDEKLASP-ZODMCCGTSA-N 2 1 399.623 3.910 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000626062045 859434502 /nfs/dbraw/zinc/43/45/02/859434502.db2.gz DPLMAXSKZCTLRW-OALUTQOASA-N 2 1 397.563 3.845 20 0 GHADMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063870 859437242 /nfs/dbraw/zinc/43/72/42/859437242.db2.gz UCVDABXBCFTTCR-UHFFFAOYSA-N 2 1 381.564 3.603 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626063870 859437248 /nfs/dbraw/zinc/43/72/48/859437248.db2.gz UCVDABXBCFTTCR-UHFFFAOYSA-N 3 1 381.564 3.603 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626063870 859437252 /nfs/dbraw/zinc/43/72/52/859437252.db2.gz UCVDABXBCFTTCR-UHFFFAOYSA-N 3 1 381.564 3.603 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000114017791 859450245 /nfs/dbraw/zinc/45/02/45/859450245.db2.gz YSVGYLWBSPOIJM-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000114197250 859493578 /nfs/dbraw/zinc/49/35/78/859493578.db2.gz MQEOUPQJKRWIMT-UHFFFAOYSA-N 2 1 383.483 3.670 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000114197250 859493582 /nfs/dbraw/zinc/49/35/82/859493582.db2.gz MQEOUPQJKRWIMT-UHFFFAOYSA-N 2 1 383.483 3.670 20 0 GHADMP Cc1nn(-c2ccncc2)cc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000543393455 859547099 /nfs/dbraw/zinc/54/70/99/859547099.db2.gz FQUCYVAGCNKFKO-JOCHJYFZSA-N 2 1 380.467 3.896 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3ccccc3F)C2)ccn1 ZINC000856559978 881439986 /nfs/dbraw/zinc/43/99/86/881439986.db2.gz TUJNTJSNVMCSLJ-HXUWFJFHSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3ccccc3F)C2)ccn1 ZINC000856559978 881439997 /nfs/dbraw/zinc/43/99/97/881439997.db2.gz TUJNTJSNVMCSLJ-HXUWFJFHSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3ccccc3F)C2)ccn1 ZINC000856559978 881440010 /nfs/dbraw/zinc/44/00/10/881440010.db2.gz TUJNTJSNVMCSLJ-HXUWFJFHSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560072 881440316 /nfs/dbraw/zinc/44/03/16/881440316.db2.gz VBZDBYSTXMIUHK-HXUWFJFHSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560072 881440319 /nfs/dbraw/zinc/44/03/19/881440319.db2.gz VBZDBYSTXMIUHK-HXUWFJFHSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560072 881440328 /nfs/dbraw/zinc/44/03/28/881440328.db2.gz VBZDBYSTXMIUHK-HXUWFJFHSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC3CCOCC3)C2)ccn1 ZINC000856561358 881444826 /nfs/dbraw/zinc/44/48/26/881444826.db2.gz URFHQSASMZZCNP-QFIPXVFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCC3CCOCC3)C2)ccn1 ZINC000856561358 881444834 /nfs/dbraw/zinc/44/48/34/881444834.db2.gz URFHQSASMZZCNP-QFIPXVFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCC3CCOCC3)C2)ccn1 ZINC000856561358 881444844 /nfs/dbraw/zinc/44/48/44/881444844.db2.gz URFHQSASMZZCNP-QFIPXVFZSA-N 2 1 375.557 3.582 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)CC2)nc(C)[nH+]1 ZINC000162275346 859831883 /nfs/dbraw/zinc/83/18/83/859831883.db2.gz NXQMQKOQMWDAAK-QGZVFWFLSA-N 2 1 393.535 3.540 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000484130802 859840911 /nfs/dbraw/zinc/84/09/11/859840911.db2.gz PPZJACSLKHHSAF-YOEHRIQHSA-N 2 1 389.371 3.527 20 0 GHADMP Brc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001279158028 859841669 /nfs/dbraw/zinc/84/16/69/859841669.db2.gz HTZUSCFRXWSUCP-OKILXGFUSA-N 2 1 384.387 3.992 20 0 GHADMP Brc1ncc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001279158028 859841679 /nfs/dbraw/zinc/84/16/79/859841679.db2.gz HTZUSCFRXWSUCP-OKILXGFUSA-N 2 1 384.387 3.992 20 0 GHADMP Brc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)s1 ZINC001279158028 859841688 /nfs/dbraw/zinc/84/16/88/859841688.db2.gz HTZUSCFRXWSUCP-OKILXGFUSA-N 2 1 384.387 3.992 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000765245980 859863640 /nfs/dbraw/zinc/86/36/40/859863640.db2.gz QKRKRFCOIZZYKS-XUZZJYLKSA-N 2 1 387.612 3.946 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369577 859932060 /nfs/dbraw/zinc/93/20/60/859932060.db2.gz HPMUDDAAKNNWEO-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP O=C1[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428201 860087636 /nfs/dbraw/zinc/08/76/36/860087636.db2.gz QKDWPEBHYXBGBZ-HLLBOEOZSA-N 2 1 382.335 3.705 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000533821135 860238503 /nfs/dbraw/zinc/23/85/03/860238503.db2.gz XKTHWRDTHHDCFK-MBSDFSHPSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000533821135 860238514 /nfs/dbraw/zinc/23/85/14/860238514.db2.gz XKTHWRDTHHDCFK-MBSDFSHPSA-N 2 1 392.547 3.698 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474560449 860367529 /nfs/dbraw/zinc/36/75/29/860367529.db2.gz MPQOJWUDCJMEFY-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474560449 860367533 /nfs/dbraw/zinc/36/75/33/860367533.db2.gz MPQOJWUDCJMEFY-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785418662 860377117 /nfs/dbraw/zinc/37/71/17/860377117.db2.gz WIQHBLJUSNPLNC-HNNXBMFYSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785418662 860377129 /nfs/dbraw/zinc/37/71/29/860377129.db2.gz WIQHBLJUSNPLNC-HNNXBMFYSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000765662084 860390100 /nfs/dbraw/zinc/39/01/00/860390100.db2.gz OBEZSLAJEQWECQ-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000765662084 860390106 /nfs/dbraw/zinc/39/01/06/860390106.db2.gz OBEZSLAJEQWECQ-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP COc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1OC ZINC000904476588 860468515 /nfs/dbraw/zinc/46/85/15/860468515.db2.gz UMOXSJPBIKHCHC-KKSFZXQISA-N 2 1 388.895 3.703 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474695109 860647237 /nfs/dbraw/zinc/64/72/37/860647237.db2.gz FVFBOGGIGSXHFF-OAQYLSRUSA-N 2 1 375.532 3.561 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474695109 860647239 /nfs/dbraw/zinc/64/72/39/860647239.db2.gz FVFBOGGIGSXHFF-OAQYLSRUSA-N 2 1 375.532 3.561 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(CNC2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000598953861 860699096 /nfs/dbraw/zinc/69/90/96/860699096.db2.gz GIALZVVTUPXCMQ-UHFFFAOYSA-N 2 1 383.536 3.605 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000598953861 860699098 /nfs/dbraw/zinc/69/90/98/860699098.db2.gz GIALZVVTUPXCMQ-UHFFFAOYSA-N 2 1 383.536 3.605 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4ccccc4o3)C2)ccn1 ZINC000856597880 881573305 /nfs/dbraw/zinc/57/33/05/881573305.db2.gz CRWDXVSAJARDJU-LJQANCHMSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4ccccc4o3)C2)ccn1 ZINC000856597880 881573315 /nfs/dbraw/zinc/57/33/15/881573315.db2.gz CRWDXVSAJARDJU-LJQANCHMSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)ccn1 ZINC000856597880 881573328 /nfs/dbraw/zinc/57/33/28/881573328.db2.gz CRWDXVSAJARDJU-LJQANCHMSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)ccn1 ZINC000856597880 881573338 /nfs/dbraw/zinc/57/33/38/881573338.db2.gz CRWDXVSAJARDJU-LJQANCHMSA-N 2 1 380.492 3.716 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869489 860803208 /nfs/dbraw/zinc/80/32/08/860803208.db2.gz LIJDBBVTIRWWPS-IPJJNNNSSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2cncn2)cc1 ZINC000158869489 860803210 /nfs/dbraw/zinc/80/32/10/860803210.db2.gz LIJDBBVTIRWWPS-IPJJNNNSSA-N 2 1 375.520 3.971 20 0 GHADMP C[N@H+]1CC[C@H](NCc2cnn(-c3ccc(Br)cc3)c2)CC1(C)C ZINC000623509065 861127023 /nfs/dbraw/zinc/12/70/23/861127023.db2.gz RJKSMVVKSAMDHN-INIZCTEOSA-N 2 1 377.330 3.597 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000599406351 861175159 /nfs/dbraw/zinc/17/51/59/861175159.db2.gz QNFODMMMXWMSAF-UHFFFAOYSA-N 2 1 390.572 3.745 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000733644066 863094223 /nfs/dbraw/zinc/09/42/23/863094223.db2.gz FZUGRKDDXITWPZ-NRFANRHFSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000482449322 863147886 /nfs/dbraw/zinc/14/78/86/863147886.db2.gz HKEOWTAKBYDWSJ-VGOFRKELSA-N 2 1 384.495 3.735 20 0 GHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182239129 863160533 /nfs/dbraw/zinc/16/05/33/863160533.db2.gz HKOXPFXLQNOXOX-GGAORHGYSA-N 2 1 380.532 3.955 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734882 863164913 /nfs/dbraw/zinc/16/49/13/863164913.db2.gz IYUAZTAZQLDYAC-VQIMIIECSA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734882 863164916 /nfs/dbraw/zinc/16/49/16/863164916.db2.gz IYUAZTAZQLDYAC-VQIMIIECSA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734882 863164927 /nfs/dbraw/zinc/16/49/27/863164927.db2.gz IYUAZTAZQLDYAC-VQIMIIECSA-N 2 1 385.474 3.545 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000182269100 863170613 /nfs/dbraw/zinc/17/06/13/863170613.db2.gz MRPJVZHCUBNISW-RXVVDRJESA-N 2 1 386.923 3.910 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)[C@H](C)C1 ZINC000624226089 863193448 /nfs/dbraw/zinc/19/34/48/863193448.db2.gz JQDJGBJHYJGFRV-KPFFTGBYSA-N 2 1 397.966 3.784 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SC2CCCC2)cc1 ZINC000482540211 863278720 /nfs/dbraw/zinc/27/87/20/863278720.db2.gz FHKYIKJLDGWKQZ-MJGOQNOKSA-N 2 1 389.609 3.959 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCc2cccs2)cc1 ZINC000183142255 863484222 /nfs/dbraw/zinc/48/42/22/863484222.db2.gz LYUHRTHPHFQFDM-HZPDHXFCSA-N 2 1 382.533 3.640 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000183152092 863489103 /nfs/dbraw/zinc/48/91/03/863489103.db2.gz WUULTMDWQXVJHV-CABCVRRESA-N 2 1 392.459 3.587 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168052342 863736462 /nfs/dbraw/zinc/73/64/62/863736462.db2.gz KONUPYOXDVQZMM-BRTYFSMRSA-N 2 1 392.591 3.683 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508470049 863761287 /nfs/dbraw/zinc/76/12/87/863761287.db2.gz RMYUVSWJUOIGQP-HSZRJFAPSA-N 2 1 379.548 3.923 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508470049 863761294 /nfs/dbraw/zinc/76/12/94/863761294.db2.gz RMYUVSWJUOIGQP-HSZRJFAPSA-N 2 1 379.548 3.923 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508470049 863761300 /nfs/dbraw/zinc/76/13/00/863761300.db2.gz RMYUVSWJUOIGQP-HSZRJFAPSA-N 2 1 379.548 3.923 20 0 GHADMP COc1cccc([C@@H](CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)[NH+](C)C)c1 ZINC000856728104 881695347 /nfs/dbraw/zinc/69/53/47/881695347.db2.gz JQDITFSCOBCYSH-FYYLOGMGSA-N 2 1 395.547 3.537 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](C(=O)N3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053490 863915429 /nfs/dbraw/zinc/91/54/29/863915429.db2.gz OQJUWUDXUPWNKU-IRMYBRCSSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053490 863915446 /nfs/dbraw/zinc/91/54/46/863915446.db2.gz OQJUWUDXUPWNKU-IRMYBRCSSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053490 863915455 /nfs/dbraw/zinc/91/54/55/863915455.db2.gz OQJUWUDXUPWNKU-IRMYBRCSSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000158698598 863919673 /nfs/dbraw/zinc/91/96/73/863919673.db2.gz YTYHGTMVIQJEGZ-XXBNENTESA-N 2 1 395.547 3.914 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000606898162 863922583 /nfs/dbraw/zinc/92/25/83/863922583.db2.gz WZJYQMGQNJNOCT-HXUWFJFHSA-N 2 1 377.960 3.889 20 0 GHADMP C[N@H+](Cc1ccc2nc(NC(=O)N3CC[NH+](C4CCC4)CC3)sc2c1)C1CC1 ZINC000667610965 863932484 /nfs/dbraw/zinc/93/24/84/863932484.db2.gz XRDXTVIMBPPBSJ-UHFFFAOYSA-N 2 1 399.564 3.593 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N3CC[NH+](C4CCC4)CC3)sc2c1)C1CC1 ZINC000667610965 863932493 /nfs/dbraw/zinc/93/24/93/863932493.db2.gz XRDXTVIMBPPBSJ-UHFFFAOYSA-N 2 1 399.564 3.593 20 0 GHADMP C[C@H]1C[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000667618053 864018242 /nfs/dbraw/zinc/01/82/42/864018242.db2.gz JSVRUCBSLJPQAC-SIKLNZKXSA-N 2 1 375.520 3.752 20 0 GHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH+](C)C)c1 ZINC000017310295 881739883 /nfs/dbraw/zinc/73/98/83/881739883.db2.gz DAZCJKRBVJOCIW-UHFFFAOYSA-N 2 1 394.519 3.598 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)[C@H]1Oc1ccccc1 ZINC000480205543 864258860 /nfs/dbraw/zinc/25/88/60/864258860.db2.gz WHVJQKSNXBOZCV-QZNHQXDQSA-N 2 1 381.520 3.573 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000554452055 864340779 /nfs/dbraw/zinc/34/07/79/864340779.db2.gz RCOZOJNYSIAYKB-OEMFJLHTSA-N 2 1 396.575 3.852 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000621647540 864348064 /nfs/dbraw/zinc/34/80/64/864348064.db2.gz KCRURWXVXXCPJT-HNNXBMFYSA-N 2 1 398.378 3.854 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c2ccccc21 ZINC000621749563 864374379 /nfs/dbraw/zinc/37/43/79/864374379.db2.gz AGRRVGNKTXYVKC-HXUWFJFHSA-N 2 1 378.451 3.907 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+]1CCCC1 ZINC000165337147 864663039 /nfs/dbraw/zinc/66/30/39/864663039.db2.gz HERFMGDIUYNKBO-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000554726754 864778526 /nfs/dbraw/zinc/77/85/26/864778526.db2.gz ONGYBZQWONJXJX-LGMDPLHJSA-N 2 1 383.502 3.972 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061301 864783065 /nfs/dbraw/zinc/78/30/65/864783065.db2.gz ZVFGYCMGIXFEME-MXNKGDRCSA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061301 864783074 /nfs/dbraw/zinc/78/30/74/864783074.db2.gz ZVFGYCMGIXFEME-MXNKGDRCSA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061301 864783081 /nfs/dbraw/zinc/78/30/81/864783081.db2.gz ZVFGYCMGIXFEME-MXNKGDRCSA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061301 864783091 /nfs/dbraw/zinc/78/30/91/864783091.db2.gz ZVFGYCMGIXFEME-MXNKGDRCSA-N 2 1 386.584 3.600 20 0 GHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000622302482 864922104 /nfs/dbraw/zinc/92/21/04/864922104.db2.gz KXAPIPVMWVTEJU-UHFFFAOYSA-N 2 1 391.559 3.851 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000608058642 864983327 /nfs/dbraw/zinc/98/33/27/864983327.db2.gz UJJJFPKTFQPGTA-UHFFFAOYSA-N 2 1 398.528 3.605 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H](C)C1 ZINC000480691354 865097185 /nfs/dbraw/zinc/09/71/85/865097185.db2.gz FRTBDPRQXGZDDH-RBBKRZOGSA-N 2 1 388.600 3.689 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H](C)C1 ZINC000480691354 865097195 /nfs/dbraw/zinc/09/71/95/865097195.db2.gz FRTBDPRQXGZDDH-RBBKRZOGSA-N 2 1 388.600 3.689 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480719094 865160555 /nfs/dbraw/zinc/16/05/55/865160555.db2.gz XIDBMJXSJMCYBD-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480719094 865160559 /nfs/dbraw/zinc/16/05/59/865160559.db2.gz XIDBMJXSJMCYBD-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480719094 865160565 /nfs/dbraw/zinc/16/05/65/865160565.db2.gz XIDBMJXSJMCYBD-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726185 865179488 /nfs/dbraw/zinc/17/94/88/865179488.db2.gz HJRXGZYUHIHKLE-YLJYHZDGSA-N 2 1 377.598 3.902 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1C ZINC000301141808 865184663 /nfs/dbraw/zinc/18/46/63/865184663.db2.gz GIERGZLIBVYYGT-KRWDZBQOSA-N 2 1 385.581 3.578 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000480746526 865216717 /nfs/dbraw/zinc/21/67/17/865216717.db2.gz RNDQCGRGGLCARS-GOSISDBHSA-N 2 1 385.321 3.740 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171386153 865235705 /nfs/dbraw/zinc/23/57/05/865235705.db2.gz CBTQTDUWRMULTO-SFHVURJKSA-N 2 1 383.536 3.760 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000480778557 865251654 /nfs/dbraw/zinc/25/16/54/865251654.db2.gz IKIKHXOVVAAURS-PGRDOPGGSA-N 2 1 385.527 3.864 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000480779498 865254315 /nfs/dbraw/zinc/25/43/15/865254315.db2.gz LKULCJNFOMJLRR-IFMALSPDSA-N 2 1 391.575 3.868 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(OC)c1 ZINC000480796071 865288713 /nfs/dbraw/zinc/28/87/13/865288713.db2.gz MEIXQSIKDWQXOK-CVDCTZTESA-N 2 1 397.563 3.733 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(F)c3cccnc23)c2cccs2)CC1 ZINC000532347882 881857749 /nfs/dbraw/zinc/85/77/49/881857749.db2.gz OPKFZXZTDOYCLA-LJQANCHMSA-N 2 1 384.524 3.514 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000608428973 865326714 /nfs/dbraw/zinc/32/67/14/865326714.db2.gz GQRKYABLUBSKCJ-SFTDATJTSA-N 2 1 397.567 3.658 20 0 GHADMP C[N@@H+](CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000174026729 865331461 /nfs/dbraw/zinc/33/14/61/865331461.db2.gz WDLNIDJTQHKQFN-UHFFFAOYSA-N 2 1 375.557 3.934 20 0 GHADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H](C)N2CC[NH+](C)CC2)c1C ZINC000301394432 865334083 /nfs/dbraw/zinc/33/40/83/865334083.db2.gz DJYTUYLBNGDSBO-CYBMUJFWSA-N 2 1 391.357 3.662 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000738518466 865550664 /nfs/dbraw/zinc/55/06/64/865550664.db2.gz UIWSVBVBFRJTEF-HSZRJFAPSA-N 2 1 379.548 3.619 20 0 GHADMP C[NH+](CCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1CCCCC1 ZINC000608634569 865554524 /nfs/dbraw/zinc/55/45/24/865554524.db2.gz KZZCUTBJRYXCRG-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000608634569 865554532 /nfs/dbraw/zinc/55/45/32/865554532.db2.gz KZZCUTBJRYXCRG-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000608634569 865554537 /nfs/dbraw/zinc/55/45/37/865554537.db2.gz KZZCUTBJRYXCRG-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172539282 865620393 /nfs/dbraw/zinc/62/03/93/865620393.db2.gz GTJXVPJAUXENBL-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000738984443 865669711 /nfs/dbraw/zinc/66/97/11/865669711.db2.gz KQTNNGGDMJNLHS-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000899377086 865871207 /nfs/dbraw/zinc/87/12/07/865871207.db2.gz UADWYOIJYRGSIU-XXBNENTESA-N 2 1 383.580 3.792 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481174464 865962053 /nfs/dbraw/zinc/96/20/53/865962053.db2.gz KYEGWIBPWMZLSB-KIFXHHALSA-N 2 1 382.548 3.543 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCc4ccc(-c5ccccc5)cc43)cn2)CC1 ZINC000189575957 881923733 /nfs/dbraw/zinc/92/37/33/881923733.db2.gz FGIYWTNCTCYTMS-DEOSSOPVSA-N 2 1 399.542 3.673 20 0 GHADMP C(CCC[N@@H+]1CCC[C@@H](N2CCCC2)C1)CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000740877686 866061226 /nfs/dbraw/zinc/06/12/26/866061226.db2.gz AKRKMHPANVJLSK-DNQXCXABSA-N 2 1 390.660 3.667 20 0 GHADMP C(CCC[N@H+]1CCC[C@@H](N2CCCC2)C1)CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000740877686 866061241 /nfs/dbraw/zinc/06/12/41/866061241.db2.gz AKRKMHPANVJLSK-DNQXCXABSA-N 2 1 390.660 3.667 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125580 866145347 /nfs/dbraw/zinc/14/53/47/866145347.db2.gz XLFRGLNULIPNQL-ZCNNSNEGSA-N 2 1 375.944 3.608 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125580 866145353 /nfs/dbraw/zinc/14/53/53/866145353.db2.gz XLFRGLNULIPNQL-ZCNNSNEGSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125580 866145359 /nfs/dbraw/zinc/14/53/59/866145359.db2.gz XLFRGLNULIPNQL-ZCNNSNEGSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125580 866145366 /nfs/dbraw/zinc/14/53/66/866145366.db2.gz XLFRGLNULIPNQL-ZCNNSNEGSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(OC3CCCCC3)c2)CC1 ZINC000523101320 866266175 /nfs/dbraw/zinc/26/61/75/866266175.db2.gz BBXUTOZHHGUGNQ-UHFFFAOYSA-N 2 1 394.519 3.797 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)ccc21 ZINC000456264050 866325567 /nfs/dbraw/zinc/32/55/67/866325567.db2.gz HDSAMQMHLLPEEO-YADHBBJMSA-N 2 1 381.495 3.978 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)ccc21 ZINC000456264050 866325583 /nfs/dbraw/zinc/32/55/83/866325583.db2.gz HDSAMQMHLLPEEO-YADHBBJMSA-N 2 1 381.495 3.978 20 0 GHADMP C[N@H+](CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)C1CCCCC1 ZINC000552872231 866362642 /nfs/dbraw/zinc/36/26/42/866362642.db2.gz YBCCUYXZGPRLFA-OAQYLSRUSA-N 2 1 383.536 3.881 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)C1CCCCC1 ZINC000552872231 866362651 /nfs/dbraw/zinc/36/26/51/866362651.db2.gz YBCCUYXZGPRLFA-OAQYLSRUSA-N 2 1 383.536 3.881 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC(=O)N(C)c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000552919582 866493199 /nfs/dbraw/zinc/49/31/99/866493199.db2.gz IYPSMUGGSCSJII-CBQOVEMMSA-N 2 1 377.532 3.985 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000428761971 866533176 /nfs/dbraw/zinc/53/31/76/866533176.db2.gz XXMGQPAQELZJLL-ITTUMRLJSA-N 2 1 386.584 3.602 20 0 GHADMP CC[C@H](C)[C@@H]([NH2+]CCn1cc[nH+]c1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000552969696 866542554 /nfs/dbraw/zinc/54/25/54/866542554.db2.gz VIGWJLOJTPTAGY-WMZHIEFXSA-N 2 1 396.579 3.677 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000127292413 866647953 /nfs/dbraw/zinc/64/79/53/866647953.db2.gz YYEROJHVZYTDNX-HYFFOGBASA-N 2 1 391.556 3.521 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1Cl ZINC000523146096 866756396 /nfs/dbraw/zinc/75/63/96/866756396.db2.gz AOVDZHWTWILCET-XLIONFOSSA-N 2 1 394.991 3.752 20 0 GHADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000478875369 866805816 /nfs/dbraw/zinc/80/58/16/866805816.db2.gz OSWYRDNFFPDJFI-ZRCGQRJVSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCC[C@@H]3c3ccco3)CC2)CC1 ZINC000553163206 866929995 /nfs/dbraw/zinc/92/99/95/866929995.db2.gz JNHDHWHHJHJZPY-OAQYLSRUSA-N 2 1 387.568 3.920 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CCOCC2)cc1 ZINC000153694551 867029126 /nfs/dbraw/zinc/02/91/26/867029126.db2.gz QNGQFYVMOLQAEW-DYESRHJHSA-N 2 1 396.560 3.966 20 0 GHADMP CCOc1ccccc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189961799 882052520 /nfs/dbraw/zinc/05/25/20/882052520.db2.gz JQWLGMYSPSXPRY-RTBURBONSA-N 2 1 395.547 3.770 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000154036382 867217428 /nfs/dbraw/zinc/21/74/28/867217428.db2.gz NVHDFHWDVMKKJM-SFTDATJTSA-N 2 1 381.564 3.709 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccccc3C)CC2)CC1 ZINC000553355897 867255842 /nfs/dbraw/zinc/25/58/42/867255842.db2.gz MKXIQQBHNBSMNN-HSZRJFAPSA-N 2 1 383.580 3.855 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000523454042 867303913 /nfs/dbraw/zinc/30/39/13/867303913.db2.gz PQFNKEGRYOCPOS-RBUKOAKNSA-N 2 1 392.613 3.503 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000857174586 882085307 /nfs/dbraw/zinc/08/53/07/882085307.db2.gz JTHZMKNOKSCJHM-BWAGFHJFSA-N 2 1 383.580 3.879 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000857174586 882085326 /nfs/dbraw/zinc/08/53/26/882085326.db2.gz JTHZMKNOKSCJHM-BWAGFHJFSA-N 2 1 383.580 3.879 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000857174586 882085346 /nfs/dbraw/zinc/08/53/46/882085346.db2.gz JTHZMKNOKSCJHM-BWAGFHJFSA-N 2 1 383.580 3.879 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1)C1CC1 ZINC000154638104 867519059 /nfs/dbraw/zinc/51/90/59/867519059.db2.gz OCWMJYBGFLTZAR-UHFFFAOYSA-N 2 1 383.511 3.802 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)cc2)C[C@H](C)O1 ZINC000534798616 867530294 /nfs/dbraw/zinc/53/02/94/867530294.db2.gz OCRALWBUKYDFAB-UWZAIZGBSA-N 2 1 384.564 3.733 20 0 GHADMP CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070345 867607390 /nfs/dbraw/zinc/60/73/90/867607390.db2.gz OEUVCYYCJKMWSA-GOSISDBHSA-N 2 1 389.506 3.659 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)CCCC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000537636652 882103080 /nfs/dbraw/zinc/10/30/80/882103080.db2.gz AZSQECCWDVFMQS-UHFFFAOYSA-N 2 1 389.584 3.771 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000154991539 867697824 /nfs/dbraw/zinc/69/78/24/867697824.db2.gz QZYUYKNRRWAZJW-NRFANRHFSA-N 2 1 375.532 3.543 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCCC[C@H]12 ZINC000523635779 867701862 /nfs/dbraw/zinc/70/18/62/867701862.db2.gz RWZBRHSHYGHGMG-PTUXOGIPSA-N 2 1 383.580 3.799 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000457141410 867754854 /nfs/dbraw/zinc/75/48/54/867754854.db2.gz ZDMDCUJAACJBCB-QHCPKHFHSA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000457141410 867754870 /nfs/dbraw/zinc/75/48/70/867754870.db2.gz ZDMDCUJAACJBCB-QHCPKHFHSA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000457141410 867754882 /nfs/dbraw/zinc/75/48/82/867754882.db2.gz ZDMDCUJAACJBCB-QHCPKHFHSA-N 2 1 379.548 3.873 20 0 GHADMP Cc1cc2[nH]c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2c(C)c1 ZINC000479440630 867759874 /nfs/dbraw/zinc/75/98/74/867759874.db2.gz WYQLDZGEMWFHJT-NFBKMPQASA-N 2 1 377.532 3.757 20 0 GHADMP Cc1cc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2c(C)c1 ZINC000479440630 867759887 /nfs/dbraw/zinc/75/98/87/867759887.db2.gz WYQLDZGEMWFHJT-NFBKMPQASA-N 2 1 377.532 3.757 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479465676 867810939 /nfs/dbraw/zinc/81/09/39/867810939.db2.gz XKRGKMNUFRNBIQ-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484613 867852986 /nfs/dbraw/zinc/85/29/86/867852986.db2.gz IASLIJISBAYHIP-KNQAVFIVSA-N 2 1 397.950 3.814 20 0 GHADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000620932740 868232440 /nfs/dbraw/zinc/23/24/40/868232440.db2.gz GVRKTGUSOISBRR-NRFANRHFSA-N 2 1 398.595 3.731 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000553805121 868256233 /nfs/dbraw/zinc/25/62/33/868256233.db2.gz UFJKPQVEAZKMSE-VIZSFHNOSA-N 2 1 398.595 3.687 20 0 GHADMP Cc1[nH+]ccn1CCCN1CCN(CCCn2cc[nH+]c2C)c2ccccc21 ZINC000553912211 868453479 /nfs/dbraw/zinc/45/34/79/868453479.db2.gz CWZOIWZNHREGQY-UHFFFAOYSA-N 2 1 378.524 3.503 20 0 GHADMP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000156910225 868498777 /nfs/dbraw/zinc/49/87/77/868498777.db2.gz CZBYNVIASYKFRW-FPOVZHCZSA-N 2 1 395.547 3.780 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000457648898 868545452 /nfs/dbraw/zinc/54/54/52/868545452.db2.gz LCNWBZDIXLJEDP-QFIPXVFZSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[NH+]2CCCC2)cc1 ZINC000524136759 868581305 /nfs/dbraw/zinc/58/13/05/868581305.db2.gz ONJYWSIBZCDGSQ-QHCPKHFHSA-N 2 1 398.595 3.792 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[NH+](C)C4)cc2)C1 ZINC000457648352 868611961 /nfs/dbraw/zinc/61/19/61/868611961.db2.gz JYADDRVAHFSMFU-YKSBVNFPSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)C1 ZINC000457648352 868611967 /nfs/dbraw/zinc/61/19/67/868611967.db2.gz JYADDRVAHFSMFU-YKSBVNFPSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)C1 ZINC000457648352 868611976 /nfs/dbraw/zinc/61/19/76/868611976.db2.gz JYADDRVAHFSMFU-YKSBVNFPSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@]4(C3)CCC[NH+](C)C4)cc2)C1 ZINC000457648350 868612183 /nfs/dbraw/zinc/61/21/83/868612183.db2.gz JYADDRVAHFSMFU-HYBUGGRVSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)C1 ZINC000457648350 868612190 /nfs/dbraw/zinc/61/21/90/868612190.db2.gz JYADDRVAHFSMFU-HYBUGGRVSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)C1 ZINC000457648350 868612195 /nfs/dbraw/zinc/61/21/95/868612195.db2.gz JYADDRVAHFSMFU-HYBUGGRVSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000524155870 868624655 /nfs/dbraw/zinc/62/46/55/868624655.db2.gz ACSCUXZZDIRYRH-LJQANCHMSA-N 2 1 397.538 3.847 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000535397658 868687656 /nfs/dbraw/zinc/68/76/56/868687656.db2.gz HKCZUBYFKDJXBI-PKTZIBPZSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000457739895 868699965 /nfs/dbraw/zinc/69/99/65/868699965.db2.gz ONQPEZGHMFJFCY-KDURUIRLSA-N 2 1 394.629 3.579 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000479929902 868740510 /nfs/dbraw/zinc/74/05/10/868740510.db2.gz WYRNOFVCLNYCKV-RBUKOAKNSA-N 2 1 395.613 3.632 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000479929902 868740519 /nfs/dbraw/zinc/74/05/19/868740519.db2.gz WYRNOFVCLNYCKV-RBUKOAKNSA-N 2 1 395.613 3.632 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(CC[NH+](C)C)cc3)cc2)C[C@@H](C)O1 ZINC000524391758 869003832 /nfs/dbraw/zinc/00/38/32/869003832.db2.gz CDALODHIGUIDKJ-RTBURBONSA-N 2 1 395.547 3.652 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000524447492 869097107 /nfs/dbraw/zinc/09/71/07/869097107.db2.gz RFTLNNRDYCZBGT-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000524447492 869097123 /nfs/dbraw/zinc/09/71/23/869097123.db2.gz RFTLNNRDYCZBGT-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000524447492 869097130 /nfs/dbraw/zinc/09/71/30/869097130.db2.gz RFTLNNRDYCZBGT-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459449421 869120145 /nfs/dbraw/zinc/12/01/45/869120145.db2.gz YZTLVZIWWOUUSQ-RTBURBONSA-N 2 1 378.923 3.959 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000491270848 869523752 /nfs/dbraw/zinc/52/37/52/869523752.db2.gz KIIJRNSLISPUDS-GHTZIAJQSA-N 2 1 381.549 3.561 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000491270848 869523763 /nfs/dbraw/zinc/52/37/63/869523763.db2.gz KIIJRNSLISPUDS-GHTZIAJQSA-N 2 1 381.549 3.561 20 0 GHADMP COc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1Cl ZINC000462682646 869892918 /nfs/dbraw/zinc/89/29/18/869892918.db2.gz XZHNDUQQICANTF-OAQYLSRUSA-N 2 1 387.955 3.817 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000508862687 869956283 /nfs/dbraw/zinc/95/62/83/869956283.db2.gz YDXGLSGDVGZMFY-QGZVFWFLSA-N 2 1 375.538 3.759 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000508862687 869956295 /nfs/dbraw/zinc/95/62/95/869956295.db2.gz YDXGLSGDVGZMFY-QGZVFWFLSA-N 2 1 375.538 3.759 20 0 GHADMP C[C@H](CCc1ccsc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000462794535 870097430 /nfs/dbraw/zinc/09/74/30/870097430.db2.gz WJAURGCUJLKSKF-DYESRHJHSA-N 2 1 385.577 3.556 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000462798375 870114057 /nfs/dbraw/zinc/11/40/57/870114057.db2.gz KVFOYJBVPCYATB-RBZQAINGSA-N 2 1 385.596 3.509 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000248138127 870297863 /nfs/dbraw/zinc/29/78/63/870297863.db2.gz XWLXMFSCDKPRNK-IRFCIJBXSA-N 2 1 398.576 3.630 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248391092 870360770 /nfs/dbraw/zinc/36/07/70/870360770.db2.gz BZWXVLXOAYFLEC-NNWRFLSQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248391092 870360786 /nfs/dbraw/zinc/36/07/86/870360786.db2.gz BZWXVLXOAYFLEC-NNWRFLSQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391092 870360808 /nfs/dbraw/zinc/36/08/08/870360808.db2.gz BZWXVLXOAYFLEC-NNWRFLSQSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[NH+](C)C)cc1 ZINC000248397323 870370283 /nfs/dbraw/zinc/37/02/83/870370283.db2.gz HXOHZMLZGBWYFS-CBQOVEMMSA-N 2 1 386.584 3.550 20 0 GHADMP c1cnn(-c2ncccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248407913 870384915 /nfs/dbraw/zinc/38/49/15/870384915.db2.gz UVIVKQSFDRSQDE-RJGXRXQPSA-N 2 1 387.531 3.658 20 0 GHADMP C([NH+]1CCS[C@H]2CCCC[C@H]21)C1(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)COC1 ZINC000248439802 870423155 /nfs/dbraw/zinc/42/31/55/870423155.db2.gz UITHJUREZZWXPE-WTGUMLROSA-N 2 1 396.666 3.723 20 0 GHADMP C([NH+]1CCS[C@@H]2CCCC[C@H]21)C1(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)COC1 ZINC000248439802 870423162 /nfs/dbraw/zinc/42/31/62/870423162.db2.gz UITHJUREZZWXPE-WTGUMLROSA-N 2 1 396.666 3.723 20 0 GHADMP C([NH+]1CCS[C@@H]2CCCC[C@H]21)C1(C[N@H+]2CCS[C@H]3CCCC[C@H]32)COC1 ZINC000248439802 870423166 /nfs/dbraw/zinc/42/31/66/870423166.db2.gz UITHJUREZZWXPE-WTGUMLROSA-N 2 1 396.666 3.723 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000248465019 870443854 /nfs/dbraw/zinc/44/38/54/870443854.db2.gz ZWHCXPZZTSYHKU-ISKFKSNPSA-N 2 1 392.543 3.745 20 0 GHADMP CCCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000538798295 870628940 /nfs/dbraw/zinc/62/89/40/870628940.db2.gz YCUDHVQXZHRKDL-QKNQBKEWSA-N 2 1 376.541 3.558 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000538798295 870628945 /nfs/dbraw/zinc/62/89/45/870628945.db2.gz YCUDHVQXZHRKDL-QKNQBKEWSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000540171118 870655606 /nfs/dbraw/zinc/65/56/06/870655606.db2.gz RLPHSJDCQNLDQR-DHIUTWEWSA-N 2 1 390.568 3.866 20 0 GHADMP C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775550803 870720550 /nfs/dbraw/zinc/72/05/50/870720550.db2.gz BLAXVCKPOMVKDW-QUCCMNQESA-N 2 1 387.568 3.934 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000463058723 870779732 /nfs/dbraw/zinc/77/97/32/870779732.db2.gz VPGAOSRRQBZENV-VWPQPMDRSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463058723 870779741 /nfs/dbraw/zinc/77/97/41/870779741.db2.gz VPGAOSRRQBZENV-VWPQPMDRSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000463058723 870779746 /nfs/dbraw/zinc/77/97/46/870779746.db2.gz VPGAOSRRQBZENV-VWPQPMDRSA-N 2 1 388.600 3.801 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000463070476 870825848 /nfs/dbraw/zinc/82/58/48/870825848.db2.gz SRUJQLBPFZQOIX-OAQYLSRUSA-N 2 1 377.576 3.730 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022993 870851777 /nfs/dbraw/zinc/85/17/77/870851777.db2.gz YIEUNBCNRAANBX-DNQXCXABSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022993 870851785 /nfs/dbraw/zinc/85/17/85/870851785.db2.gz YIEUNBCNRAANBX-DNQXCXABSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022993 870851795 /nfs/dbraw/zinc/85/17/95/870851795.db2.gz YIEUNBCNRAANBX-DNQXCXABSA-N 2 1 391.559 3.599 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022993 870851803 /nfs/dbraw/zinc/85/18/03/870851803.db2.gz YIEUNBCNRAANBX-DNQXCXABSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N3c4ccccc4CCc4ccccc43)CC[C@H]21 ZINC000249648425 870879762 /nfs/dbraw/zinc/87/97/62/870879762.db2.gz YDOWNIQNGILTCK-FGZHOGPDSA-N 2 1 389.543 3.866 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168833621 870890563 /nfs/dbraw/zinc/89/05/63/870890563.db2.gz JWEVJUNJEGTABH-LPHOPBHVSA-N 2 1 391.531 3.559 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000463114365 870913122 /nfs/dbraw/zinc/91/31/22/870913122.db2.gz RZZVLPSYTFFQIN-VGOFRKELSA-N 2 1 384.495 3.877 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000463114365 870913130 /nfs/dbraw/zinc/91/31/30/870913130.db2.gz RZZVLPSYTFFQIN-VGOFRKELSA-N 2 1 384.495 3.877 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000463126123 870936811 /nfs/dbraw/zinc/93/68/11/870936811.db2.gz YHSNEVCHMBLGFQ-JSRBNTPPSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000463126123 870936817 /nfs/dbraw/zinc/93/68/17/870936817.db2.gz YHSNEVCHMBLGFQ-JSRBNTPPSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)C1 ZINC000463126123 870936826 /nfs/dbraw/zinc/93/68/26/870936826.db2.gz YHSNEVCHMBLGFQ-JSRBNTPPSA-N 2 1 387.612 3.766 20 0 GHADMP c1ccc(CC[NH+]2CCC(NC[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000463134005 870979519 /nfs/dbraw/zinc/97/95/19/870979519.db2.gz GSPLXUOEUHWERP-RUZDIDTESA-N 2 1 377.576 3.948 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000463149687 871022008 /nfs/dbraw/zinc/02/20/08/871022008.db2.gz UTBGSIMTAQWIDA-UYAOXDASSA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000463149687 871022027 /nfs/dbraw/zinc/02/20/27/871022027.db2.gz UTBGSIMTAQWIDA-UYAOXDASSA-N 2 1 398.547 3.898 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000122210088 882476471 /nfs/dbraw/zinc/47/64/71/882476471.db2.gz RUJHLGIOEANOSN-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000122210088 882476477 /nfs/dbraw/zinc/47/64/77/882476477.db2.gz RUJHLGIOEANOSN-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP CC(C)C[C@@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001169070326 871157079 /nfs/dbraw/zinc/15/70/79/871157079.db2.gz NKXDITYXFGPYIR-FCHUYYIVSA-N 2 1 396.579 3.795 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC000667195388 871197667 /nfs/dbraw/zinc/19/76/67/871197667.db2.gz XACKOAVFWNCTKH-IFMALSPDSA-N 2 1 378.520 3.632 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169119409 871210142 /nfs/dbraw/zinc/21/01/42/871210142.db2.gz SUYLTLVFFDUDSJ-BWTSREIZSA-N 2 1 381.486 3.666 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449125178 871211116 /nfs/dbraw/zinc/21/11/16/871211116.db2.gz QPMPLJQXOSVVQO-HXUWFJFHSA-N 2 1 389.971 3.808 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124590 871214427 /nfs/dbraw/zinc/21/44/27/871214427.db2.gz NSXPTRSCNNDSNJ-IDHHARJASA-N 2 1 381.358 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131729 871221203 /nfs/dbraw/zinc/22/12/03/871221203.db2.gz YIYKWFPMZULUGB-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169154187 871266592 /nfs/dbraw/zinc/26/65/92/871266592.db2.gz NWVPAXKLGZUJKK-ACDBMABISA-N 2 1 381.486 3.885 20 0 GHADMP CCC(CC)(CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000252443781 871298634 /nfs/dbraw/zinc/29/86/34/871298634.db2.gz OYYPWANMAZCAGI-RTBURBONSA-N 2 1 386.584 3.680 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(OC)cc32)[C@H](C)C1 ZINC000191515021 882498928 /nfs/dbraw/zinc/49/89/28/882498928.db2.gz IWWIBBVMHKGADR-LSTHTHJFSA-N 2 1 378.582 3.959 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCSc3ccc(OC)cc32)[C@H](C)C1 ZINC000191515021 882498945 /nfs/dbraw/zinc/49/89/45/882498945.db2.gz IWWIBBVMHKGADR-LSTHTHJFSA-N 2 1 378.582 3.959 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492354 871410706 /nfs/dbraw/zinc/41/07/06/871410706.db2.gz IVPVZJJOHYWRMQ-UNMCSNQZSA-N 2 1 385.596 3.932 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492354 871410719 /nfs/dbraw/zinc/41/07/19/871410719.db2.gz IVPVZJJOHYWRMQ-UNMCSNQZSA-N 3 1 385.596 3.932 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492354 871410730 /nfs/dbraw/zinc/41/07/30/871410730.db2.gz IVPVZJJOHYWRMQ-UNMCSNQZSA-N 3 1 385.596 3.932 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000461998244 871414821 /nfs/dbraw/zinc/41/48/21/871414821.db2.gz XWOBJCDVYCUPSU-IFMALSPDSA-N 2 1 388.600 3.660 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462001908 871427038 /nfs/dbraw/zinc/42/70/38/871427038.db2.gz BNRYTISTNQLTJJ-RBBKRZOGSA-N 2 1 388.600 3.803 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001169470562 871546860 /nfs/dbraw/zinc/54/68/60/871546860.db2.gz DRIHFLVASSNJNY-JYAXBFRTSA-N 2 1 391.625 3.927 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001169470562 871546871 /nfs/dbraw/zinc/54/68/71/871546871.db2.gz DRIHFLVASSNJNY-JYAXBFRTSA-N 2 1 391.625 3.927 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001169470562 871546883 /nfs/dbraw/zinc/54/68/83/871546883.db2.gz DRIHFLVASSNJNY-JYAXBFRTSA-N 2 1 391.625 3.927 20 0 GHADMP CCCOc1cccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001194240257 871579376 /nfs/dbraw/zinc/57/93/76/871579376.db2.gz JLOYZMZEEDRITC-DEOSSOPVSA-N 2 1 393.575 3.868 20 0 GHADMP CCCOc1cccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001194240257 871579386 /nfs/dbraw/zinc/57/93/86/871579386.db2.gz JLOYZMZEEDRITC-DEOSSOPVSA-N 2 1 393.575 3.868 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC001169557626 871635778 /nfs/dbraw/zinc/63/57/78/871635778.db2.gz YTUFRLAIGQTADO-APWZRJJASA-N 2 1 388.474 3.854 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000618492362 871679083 /nfs/dbraw/zinc/67/90/83/871679083.db2.gz IZJUWRJJBVKEDJ-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP COc1cc2[nH+]ccn2cc1-n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001169612909 871706935 /nfs/dbraw/zinc/70/69/35/871706935.db2.gz JFHLBGMBMRLEOA-UHFFFAOYSA-N 2 1 390.365 3.687 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000533946729 871762430 /nfs/dbraw/zinc/76/24/30/871762430.db2.gz LXYFQSFNHBUURZ-XZOQPEGZSA-N 2 1 398.595 3.729 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447533311 871794738 /nfs/dbraw/zinc/79/47/38/871794738.db2.gz ZSCIBYUXHNZVDA-HSZRJFAPSA-N 2 1 397.538 3.642 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC001194615686 871861754 /nfs/dbraw/zinc/86/17/54/871861754.db2.gz JHTHHTNRUUZZLA-FGZHOGPDSA-N 2 1 388.502 3.852 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC001194615686 871861774 /nfs/dbraw/zinc/86/17/74/871861774.db2.gz JHTHHTNRUUZZLA-FGZHOGPDSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC001194615686 871861791 /nfs/dbraw/zinc/86/17/91/871861791.db2.gz JHTHHTNRUUZZLA-FGZHOGPDSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC001194615686 871861809 /nfs/dbraw/zinc/86/18/09/871861809.db2.gz JHTHHTNRUUZZLA-FGZHOGPDSA-N 2 1 388.502 3.852 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071472 871979268 /nfs/dbraw/zinc/97/92/68/871979268.db2.gz HRQOHFWHRTXUMO-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071472 871979277 /nfs/dbraw/zinc/97/92/77/871979277.db2.gz HRQOHFWHRTXUMO-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071472 871979282 /nfs/dbraw/zinc/97/92/82/871979282.db2.gz HRQOHFWHRTXUMO-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071472 871979287 /nfs/dbraw/zinc/97/92/87/871979287.db2.gz HRQOHFWHRTXUMO-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540721090 871999177 /nfs/dbraw/zinc/99/91/77/871999177.db2.gz FBYIDQAIQZSIPO-CCKFTAQKSA-N 2 1 398.954 3.642 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540721090 871999191 /nfs/dbraw/zinc/99/91/91/871999191.db2.gz FBYIDQAIQZSIPO-CCKFTAQKSA-N 2 1 398.954 3.642 20 0 GHADMP Cc1nc(-c2ccc(Cl)c(Cl)c2)n(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000103461838 872016938 /nfs/dbraw/zinc/01/69/38/872016938.db2.gz HWNUABDJYATWQT-UHFFFAOYSA-N 2 1 382.339 3.791 20 0 GHADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093324771 872081203 /nfs/dbraw/zinc/08/12/03/872081203.db2.gz HZUUYQNDXGKGLE-LJQANCHMSA-N 2 1 381.564 3.986 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC ZINC000093644454 872314024 /nfs/dbraw/zinc/31/40/24/872314024.db2.gz YJRXLCGYNFZRAY-HIFRSBDPSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC ZINC000093644454 872314043 /nfs/dbraw/zinc/31/40/43/872314043.db2.gz YJRXLCGYNFZRAY-HIFRSBDPSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000093644454 872314062 /nfs/dbraw/zinc/31/40/62/872314062.db2.gz YJRXLCGYNFZRAY-HIFRSBDPSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000093644454 872314083 /nfs/dbraw/zinc/31/40/83/872314083.db2.gz YJRXLCGYNFZRAY-HIFRSBDPSA-N 2 1 385.346 3.771 20 0 GHADMP O=C(N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000526947199 872317118 /nfs/dbraw/zinc/31/71/18/872317118.db2.gz SJPKPEBSSKFNHU-VDKIKQQVSA-N 2 1 395.591 3.766 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000236803082 882614307 /nfs/dbraw/zinc/61/43/07/882614307.db2.gz NJLNEASLZVUHGQ-UHFFFAOYSA-N 3 1 394.607 3.960 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)c2C)cc1 ZINC000463741440 872461944 /nfs/dbraw/zinc/46/19/44/872461944.db2.gz KBWXTUSVCBEPQI-UHFFFAOYSA-N 2 1 384.568 3.909 20 0 GHADMP C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110264 882615846 /nfs/dbraw/zinc/61/58/46/882615846.db2.gz VOPOJYJAMULPIB-HXUWFJFHSA-N 2 1 376.504 3.733 20 0 GHADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110264 882615849 /nfs/dbraw/zinc/61/58/49/882615849.db2.gz VOPOJYJAMULPIB-HXUWFJFHSA-N 2 1 376.504 3.733 20 0 GHADMP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110264 882615860 /nfs/dbraw/zinc/61/58/60/882615860.db2.gz VOPOJYJAMULPIB-HXUWFJFHSA-N 2 1 376.504 3.733 20 0 GHADMP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110264 882615871 /nfs/dbraw/zinc/61/58/71/882615871.db2.gz VOPOJYJAMULPIB-HXUWFJFHSA-N 2 1 376.504 3.733 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CC[C@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001195648418 872532630 /nfs/dbraw/zinc/53/26/30/872532630.db2.gz DXZBXTLIIFYCOM-ROKPMTFOSA-N 2 1 382.548 3.851 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CC[C@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001195648418 872532637 /nfs/dbraw/zinc/53/26/37/872532637.db2.gz DXZBXTLIIFYCOM-ROKPMTFOSA-N 2 1 382.548 3.851 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CC[C@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001195648418 872532642 /nfs/dbraw/zinc/53/26/42/872532642.db2.gz DXZBXTLIIFYCOM-ROKPMTFOSA-N 2 1 382.548 3.851 20 0 GHADMP Cc1[nH+]ccn1CCCOC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000767633769 872699295 /nfs/dbraw/zinc/69/92/95/872699295.db2.gz OWGHIQZSJYQCEO-LJQANCHMSA-N 2 1 395.425 3.579 20 0 GHADMP Cc1[nH+]ccn1CCCOC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000767633769 872699301 /nfs/dbraw/zinc/69/93/01/872699301.db2.gz OWGHIQZSJYQCEO-LJQANCHMSA-N 2 1 395.425 3.579 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000552561044 872808495 /nfs/dbraw/zinc/80/84/95/872808495.db2.gz VDBTTWLTLYEBGF-JPYJTQIMSA-N 2 1 377.532 3.722 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000552561044 872808511 /nfs/dbraw/zinc/80/85/11/872808511.db2.gz VDBTTWLTLYEBGF-JPYJTQIMSA-N 2 1 377.532 3.722 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000775687998 872905644 /nfs/dbraw/zinc/90/56/44/872905644.db2.gz FUXNTXRFSNFVQG-BVYCBKJFSA-N 2 1 379.504 3.512 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448152293 872963475 /nfs/dbraw/zinc/96/34/75/872963475.db2.gz XNUPWEMSQLQJHJ-JXFKEZNVSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448152293 872963483 /nfs/dbraw/zinc/96/34/83/872963483.db2.gz XNUPWEMSQLQJHJ-JXFKEZNVSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448152295 872963864 /nfs/dbraw/zinc/96/38/64/872963864.db2.gz XNUPWEMSQLQJHJ-OXQOHEQNSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448152295 872963873 /nfs/dbraw/zinc/96/38/73/872963873.db2.gz XNUPWEMSQLQJHJ-OXQOHEQNSA-N 2 1 383.540 3.661 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448202655 873037721 /nfs/dbraw/zinc/03/77/21/873037721.db2.gz GGRLDFAXDLICAU-FQEVSTJZSA-N 2 1 388.600 3.696 20 0 GHADMP Cc1ccc([C@@H](Cc2ccccc2Br)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000464072986 873171606 /nfs/dbraw/zinc/17/16/06/873171606.db2.gz SRIIFXPTGQTANV-AZUAARDMSA-N 2 1 391.353 3.553 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)c(F)c1 ZINC000768512611 873347351 /nfs/dbraw/zinc/34/73/51/873347351.db2.gz SANCYWPBZNFTCY-BBRMVZONSA-N 2 1 385.321 3.882 20 0 GHADMP CC(C)c1cnc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000541390066 873461195 /nfs/dbraw/zinc/46/11/95/873461195.db2.gz UVGAQILUYHIUBE-UHFFFAOYSA-N 2 1 386.609 3.954 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1 ZINC000768932697 873700056 /nfs/dbraw/zinc/70/00/56/873700056.db2.gz PWFWRTJVXMQCKD-SFHVURJKSA-N 2 1 396.453 3.639 20 0 GHADMP C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888801 873718766 /nfs/dbraw/zinc/71/87/66/873718766.db2.gz VPNVNZXSZYPEGO-AVRDEDQJSA-N 2 1 390.531 3.505 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CCCC1 ZINC000528012874 873883630 /nfs/dbraw/zinc/88/36/30/873883630.db2.gz BRFUIPHAWGQUTE-BHIFYINESA-N 2 1 383.580 3.525 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666091038 882826953 /nfs/dbraw/zinc/82/69/53/882826953.db2.gz KVHBLLYGPJRILM-MZKRTTBSSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666091038 882826973 /nfs/dbraw/zinc/82/69/73/882826973.db2.gz KVHBLLYGPJRILM-MZKRTTBSSA-N 2 1 384.951 3.670 20 0 GHADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000541909328 874508609 /nfs/dbraw/zinc/50/86/09/874508609.db2.gz HGDCASLNKXLWCS-UNMCSNQZSA-N 2 1 391.506 3.623 20 0 GHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000449151157 874539707 /nfs/dbraw/zinc/53/97/07/874539707.db2.gz WHAXAQRVUSDNNM-GJZGRUSLSA-N 2 1 375.340 3.587 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000449155924 874543950 /nfs/dbraw/zinc/54/39/50/874543950.db2.gz CMGWXTIABRAFRM-KXBFYZLASA-N 2 1 375.538 3.734 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[nH]c1C ZINC000449155924 874543957 /nfs/dbraw/zinc/54/39/57/874543957.db2.gz CMGWXTIABRAFRM-KXBFYZLASA-N 2 1 375.538 3.734 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000464835616 874571594 /nfs/dbraw/zinc/57/15/94/874571594.db2.gz QPZYQAXAIQTWJD-ZEQRLZLVSA-N 2 1 396.575 3.805 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000464835616 874571601 /nfs/dbraw/zinc/57/16/01/874571601.db2.gz QPZYQAXAIQTWJD-ZEQRLZLVSA-N 2 1 396.575 3.805 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000464835616 874571609 /nfs/dbraw/zinc/57/16/09/874571609.db2.gz QPZYQAXAIQTWJD-ZEQRLZLVSA-N 2 1 396.575 3.805 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000449210597 874589141 /nfs/dbraw/zinc/58/91/41/874589141.db2.gz WIBFNLURATWBNJ-NTKDMRAZSA-N 2 1 382.548 3.804 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000770327198 874601636 /nfs/dbraw/zinc/60/16/36/874601636.db2.gz RFUVINDFGNNTBT-GGAORHGYSA-N 2 1 397.563 3.900 20 0 GHADMP COc1ccc(-n2cc(CN[C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222002 874610552 /nfs/dbraw/zinc/61/05/52/874610552.db2.gz BUZWNWRPJQUTPB-KNQAVFIVSA-N 2 1 390.531 3.881 20 0 GHADMP COc1ccc(-n2cc(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222002 874610555 /nfs/dbraw/zinc/61/05/55/874610555.db2.gz BUZWNWRPJQUTPB-KNQAVFIVSA-N 2 1 390.531 3.881 20 0 GHADMP COc1ccc(-n2cc(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222002 874610558 /nfs/dbraw/zinc/61/05/58/874610558.db2.gz BUZWNWRPJQUTPB-KNQAVFIVSA-N 2 1 390.531 3.881 20 0 GHADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449299744 874686809 /nfs/dbraw/zinc/68/68/09/874686809.db2.gz MVDOJBRILGKEAR-XXBNENTESA-N 2 1 379.548 3.549 20 0 GHADMP CCn1nnc(C)c1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449416910 874820437 /nfs/dbraw/zinc/82/04/37/874820437.db2.gz WEQBBAFHVAGFFR-JOCHJYFZSA-N 2 1 381.568 3.729 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)CC1)CC1CC1 ZINC000770686130 874823166 /nfs/dbraw/zinc/82/31/66/874823166.db2.gz SNVFARDZCASLTI-UHFFFAOYSA-N 2 1 398.551 3.614 20 0 GHADMP Cc1nn2c(C[NH2+]Cc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c(C)nc2s1 ZINC001199267449 874883614 /nfs/dbraw/zinc/88/36/14/874883614.db2.gz PXLVREBKPVFBKQ-HNNXBMFYSA-N 2 1 383.565 3.929 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)c2c[nH+]ccc2N2CCCC2)CC1 ZINC001199370618 874950847 /nfs/dbraw/zinc/95/08/47/874950847.db2.gz FXYNSRMKTDUHCN-WGSAOQKQSA-N 2 1 396.510 3.733 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cccc4ccccc43)C2)CC1 ZINC000449510323 874975539 /nfs/dbraw/zinc/97/55/39/874975539.db2.gz XDDXKVZFFPNSFU-OAQYLSRUSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cccc4ccccc43)C2)CC1 ZINC000449510323 874975544 /nfs/dbraw/zinc/97/55/44/874975544.db2.gz XDDXKVZFFPNSFU-OAQYLSRUSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000449510323 874975552 /nfs/dbraw/zinc/97/55/52/874975552.db2.gz XDDXKVZFFPNSFU-OAQYLSRUSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000449510323 874975558 /nfs/dbraw/zinc/97/55/58/874975558.db2.gz XDDXKVZFFPNSFU-OAQYLSRUSA-N 2 1 379.548 3.606 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5ccncc5)C4)[C@@H]3C2)cc1 ZINC000449532805 875014397 /nfs/dbraw/zinc/01/43/97/875014397.db2.gz DQHGZICQVVRKRZ-UDIRQSBCSA-N 2 1 377.532 3.802 20 0 GHADMP c1ccc(C[NH+]2CCCO[C@@H](CN3CCC[N@H+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728152 882901377 /nfs/dbraw/zinc/90/13/77/882901377.db2.gz YIEZDPDLFQOEAM-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728152 882901398 /nfs/dbraw/zinc/90/13/98/882901398.db2.gz YIEZDPDLFQOEAM-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728152 882901420 /nfs/dbraw/zinc/90/14/20/882901420.db2.gz YIEZDPDLFQOEAM-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000528906947 875248500 /nfs/dbraw/zinc/24/85/00/875248500.db2.gz NLDONHUMWNBWTG-RBZQAINGSA-N 2 1 397.607 3.725 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000303237118 875324296 /nfs/dbraw/zinc/32/42/96/875324296.db2.gz YBIBLKCUJTYUHQ-SFTDATJTSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000542405497 875509266 /nfs/dbraw/zinc/50/92/66/875509266.db2.gz JMCMNUZMQCYBMP-JPYJTQIMSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542405497 875509269 /nfs/dbraw/zinc/50/92/69/875509269.db2.gz JMCMNUZMQCYBMP-JPYJTQIMSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542405497 875509273 /nfs/dbraw/zinc/50/92/73/875509273.db2.gz JMCMNUZMQCYBMP-JPYJTQIMSA-N 2 1 377.532 3.531 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC3 ZINC000491420106 875699128 /nfs/dbraw/zinc/69/91/28/875699128.db2.gz AMXQAYRWJADFGH-OAQYLSRUSA-N 2 1 389.543 3.956 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001201557541 875751794 /nfs/dbraw/zinc/75/17/94/875751794.db2.gz KTXZSBTYGVPPHA-FQEVSTJZSA-N 2 1 383.536 3.829 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CCCc1ccccc1)CC2 ZINC001201660583 875818900 /nfs/dbraw/zinc/81/89/00/875818900.db2.gz KUOJVSQBNIRIDH-QHCPKHFHSA-N 2 1 379.548 3.770 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000303615950 875875094 /nfs/dbraw/zinc/87/50/94/875875094.db2.gz PACZQHVCDCLSNU-JOCHJYFZSA-N 2 1 386.584 3.523 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC001201954274 875952606 /nfs/dbraw/zinc/95/26/06/875952606.db2.gz KDGWTQANWWSCMC-QFIPXVFZSA-N 2 1 380.532 3.864 20 0 GHADMP Cc1cccc(Cl)c1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450118438 876007048 /nfs/dbraw/zinc/00/70/48/876007048.db2.gz MXSFQTPNBMJVBL-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP Cc1c[nH+]cn1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529304232 876007403 /nfs/dbraw/zinc/00/74/03/876007403.db2.gz IHTAVONSKFZTIP-VZKPYBMVSA-N 2 1 386.927 3.575 20 0 GHADMP Cc1c[nH+]cn1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529304232 876007418 /nfs/dbraw/zinc/00/74/18/876007418.db2.gz IHTAVONSKFZTIP-VZKPYBMVSA-N 2 1 386.927 3.575 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000537659517 883005615 /nfs/dbraw/zinc/00/56/15/883005615.db2.gz KYIDDJUHKCGSFN-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C4CC4)C[C@@H](C)C3)c2c1C ZINC000450543830 876587947 /nfs/dbraw/zinc/58/79/47/876587947.db2.gz KZJXTIPIORLRPC-OAHLLOKOSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C4CC4)C[C@@H](C)C3)c2c1C ZINC000450543830 876587953 /nfs/dbraw/zinc/58/79/53/876587953.db2.gz KZJXTIPIORLRPC-OAHLLOKOSA-N 2 1 399.608 3.824 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C3CC[NH+](C4CC4)CC3)cccc2C1 ZINC000850018184 876602634 /nfs/dbraw/zinc/60/26/34/876602634.db2.gz SRVSBRMLDHPCSN-UHFFFAOYSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC000450576080 876635020 /nfs/dbraw/zinc/63/50/20/876635020.db2.gz OHTQBDYAXIDZBW-VJBWXMMDSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC000450576080 876635025 /nfs/dbraw/zinc/63/50/25/876635025.db2.gz OHTQBDYAXIDZBW-VJBWXMMDSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC000450576080 876635034 /nfs/dbraw/zinc/63/50/34/876635034.db2.gz OHTQBDYAXIDZBW-VJBWXMMDSA-N 2 1 378.649 3.518 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192931808 883049851 /nfs/dbraw/zinc/04/98/51/883049851.db2.gz YMRSZTXLIDWLKQ-QGZVFWFLSA-N 2 1 376.447 3.908 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000262672979 876646645 /nfs/dbraw/zinc/64/66/45/876646645.db2.gz PSUWDXMSNDWUKV-YLPBSSROSA-N 2 1 383.580 3.701 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192931808 883049869 /nfs/dbraw/zinc/04/98/69/883049869.db2.gz YMRSZTXLIDWLKQ-QGZVFWFLSA-N 2 1 376.447 3.908 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(OC(F)F)cc1 ZINC000173822063 876665102 /nfs/dbraw/zinc/66/51/02/876665102.db2.gz FMZNPAHSRNWCNV-INIZCTEOSA-N 2 1 376.447 3.971 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000173953907 876742957 /nfs/dbraw/zinc/74/29/57/876742957.db2.gz UQYYAYLGJZFVBI-SFHVURJKSA-N 2 1 384.524 3.683 20 0 GHADMP CCc1cc(N2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c2ccccc2[nH+]1 ZINC000450779406 876915581 /nfs/dbraw/zinc/91/55/81/876915581.db2.gz WINLKKWKIAAWPI-HXUWFJFHSA-N 2 1 394.563 3.568 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)cc1F ZINC000786796773 876958654 /nfs/dbraw/zinc/95/86/54/876958654.db2.gz FVHGRJIOZOTEEU-OAHLLOKOSA-N 2 1 393.466 3.700 20 0 GHADMP CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174341681 876974739 /nfs/dbraw/zinc/97/47/39/876974739.db2.gz UGXAYHFYWVEJAR-SFTDATJTSA-N 2 1 389.609 3.505 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2)CC1 ZINC000537670820 883085594 /nfs/dbraw/zinc/08/55/94/883085594.db2.gz RUWNDRCQKRONFR-FYYLOGMGSA-N 2 1 398.595 3.909 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000174879965 877304073 /nfs/dbraw/zinc/30/40/73/877304073.db2.gz FLKDXKMDZLSWKX-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000746676739 877335890 /nfs/dbraw/zinc/33/58/90/877335890.db2.gz ZAHXDTXQVRRIOM-LJQANCHMSA-N 2 1 398.576 3.996 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000174930757 877344250 /nfs/dbraw/zinc/34/42/50/877344250.db2.gz BBLVLTRFKRSRDH-UHFFFAOYSA-N 2 1 378.904 3.629 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000152653173 877389606 /nfs/dbraw/zinc/38/96/06/877389606.db2.gz MRFUOGZOYOFXRZ-VQIMIIECSA-N 2 1 395.975 3.704 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998127 877467345 /nfs/dbraw/zinc/46/73/45/877467345.db2.gz DEYJSHGDLMHFAK-KRWDZBQOSA-N 2 1 397.357 3.629 20 0 GHADMP C[C@H]1C[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000137479401 877551060 /nfs/dbraw/zinc/55/10/60/877551060.db2.gz AABQHHAFJFOQLN-HKUYNNGSSA-N 2 1 391.515 3.887 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCc1ccc(F)cc1 ZINC000615316355 877633318 /nfs/dbraw/zinc/63/33/18/877633318.db2.gz PBMPWWKIRNRVRF-RBUKOAKNSA-N 2 1 397.538 3.852 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCc1ccc(F)cc1 ZINC000615316356 877633635 /nfs/dbraw/zinc/63/36/35/877633635.db2.gz PBMPWWKIRNRVRF-RTBURBONSA-N 2 1 397.538 3.852 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000551777960 877794048 /nfs/dbraw/zinc/79/40/48/877794048.db2.gz XSLIAXXMPZVCFL-BROLKAIQSA-N 2 1 380.532 3.544 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000245421869 877849338 /nfs/dbraw/zinc/84/93/38/877849338.db2.gz IGIRHVHEDVTPRY-REWPJTCUSA-N 2 1 398.595 3.546 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1OC ZINC000245452731 877903002 /nfs/dbraw/zinc/90/30/02/877903002.db2.gz DURWZBJZJGKOPL-ZWKOTPCHSA-N 2 1 384.520 3.775 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1)c1ccccc1 ZINC000085404749 877935661 /nfs/dbraw/zinc/93/56/61/877935661.db2.gz KUUMQIZSAXKSKD-ZJOUEHCJSA-N 2 1 386.584 3.632 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccsc1 ZINC000615672621 877999180 /nfs/dbraw/zinc/99/91/80/877999180.db2.gz CGLDGCCKCIBGRU-HXUWFJFHSA-N 2 1 394.629 3.893 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176010327 878034321 /nfs/dbraw/zinc/03/43/21/878034321.db2.gz DVWPFBILJNCDSH-FQEVSTJZSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852106747 878077603 /nfs/dbraw/zinc/07/76/03/878077603.db2.gz CUBSACOXNCVAQC-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852106747 878077623 /nfs/dbraw/zinc/07/76/23/878077623.db2.gz CUBSACOXNCVAQC-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852106747 878077641 /nfs/dbraw/zinc/07/76/41/878077641.db2.gz CUBSACOXNCVAQC-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)cs1 ZINC000245549853 878093233 /nfs/dbraw/zinc/09/32/33/878093233.db2.gz GXJWKGUNSNFRCX-CEWLAPEOSA-N 2 1 389.609 3.855 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)C2)C1 ZINC000788586965 878186856 /nfs/dbraw/zinc/18/68/56/878186856.db2.gz HAHXKJSKDFMYIU-FQEVSTJZSA-N 2 1 399.579 3.540 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245630596 878248225 /nfs/dbraw/zinc/24/82/25/878248225.db2.gz HTRUJHFRBRRSMA-PKTZIBPZSA-N 2 1 394.563 3.725 20 0 GHADMP C[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000176494546 878283959 /nfs/dbraw/zinc/28/39/59/878283959.db2.gz RMMXWDFIQABZKZ-GOSISDBHSA-N 2 1 383.536 3.603 20 0 GHADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@H](C)[C@H]1O ZINC000852502171 878379662 /nfs/dbraw/zinc/37/96/62/878379662.db2.gz BIDIJKNELQSTKM-FGGOGHJKSA-N 2 1 382.633 3.615 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000616077676 878480239 /nfs/dbraw/zinc/48/02/39/878480239.db2.gz OGBAHVRMAAQMIQ-WOJBJXKFSA-N 2 1 380.621 3.508 20 0 GHADMP c1cc2c(s1)CCN(CC[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000245757233 878549592 /nfs/dbraw/zinc/54/95/92/878549592.db2.gz VCEGHGMBGOGBCV-DKUWSORSSA-N 2 1 381.589 3.891 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177399926 878693645 /nfs/dbraw/zinc/69/36/45/878693645.db2.gz XHCWKMSKCHTWJL-LJQANCHMSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000177504481 878735052 /nfs/dbraw/zinc/73/50/52/878735052.db2.gz VOGTYSQWYZZARX-LJQANCHMSA-N 2 1 386.584 3.603 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538045422 878755607 /nfs/dbraw/zinc/75/56/07/878755607.db2.gz LRZSUKDFIQGKNB-BGYRXZFFSA-N 2 1 390.568 3.564 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c(C)c2)CC1 ZINC000177625271 878783527 /nfs/dbraw/zinc/78/35/27/878783527.db2.gz KNXDFMXWPPROOK-FQEVSTJZSA-N 2 1 398.595 3.730 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000122410353 878895276 /nfs/dbraw/zinc/89/52/76/878895276.db2.gz OZQLWLRTOJJOHO-JXFKEZNVSA-N 2 1 378.944 3.953 20 0 GHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178182609 879033216 /nfs/dbraw/zinc/03/32/16/879033216.db2.gz XRHXENWAELMQIK-LJQANCHMSA-N 2 1 387.593 3.829 20 0 GHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178182609 879033232 /nfs/dbraw/zinc/03/32/32/879033232.db2.gz XRHXENWAELMQIK-LJQANCHMSA-N 2 1 387.593 3.829 20 0 GHADMP C[C@@H]1CCCC[C@@H]1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531188916 879278172 /nfs/dbraw/zinc/27/81/72/879278172.db2.gz HJFPVCHAVSIZPV-TZIWHRDSSA-N 2 1 377.617 3.858 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000246270685 879323789 /nfs/dbraw/zinc/32/37/89/879323789.db2.gz ACZYNNPJGCMGQR-IFXJQAMLSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000246270685 879323806 /nfs/dbraw/zinc/32/38/06/879323806.db2.gz ACZYNNPJGCMGQR-IFXJQAMLSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000246270685 879323821 /nfs/dbraw/zinc/32/38/21/879323821.db2.gz ACZYNNPJGCMGQR-IFXJQAMLSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000246270685 879323841 /nfs/dbraw/zinc/32/38/41/879323841.db2.gz ACZYNNPJGCMGQR-IFXJQAMLSA-N 2 1 379.907 3.756 20 0 GHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790365020 879622227 /nfs/dbraw/zinc/62/22/27/879622227.db2.gz HEVDMNFJYUYWMK-FYYLOGMGSA-N 2 1 385.552 3.512 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)cc1 ZINC000246504595 879629354 /nfs/dbraw/zinc/62/93/54/879629354.db2.gz BZUMWTFAELFWBF-OXJNMPFZSA-N 2 1 385.939 3.888 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccc(N2CCCOC2=O)cc1 ZINC000854224163 879641999 /nfs/dbraw/zinc/64/19/99/879641999.db2.gz XWCZECYKFIGASV-ZPMCFJSWSA-N 2 1 379.504 3.830 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246529201 879658896 /nfs/dbraw/zinc/65/88/96/879658896.db2.gz CMHBTXRGZRXHQG-ILZDJORESA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529201 879658908 /nfs/dbraw/zinc/65/89/08/879658908.db2.gz CMHBTXRGZRXHQG-ILZDJORESA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246529201 879658912 /nfs/dbraw/zinc/65/89/12/879658912.db2.gz CMHBTXRGZRXHQG-ILZDJORESA-N 2 1 382.470 3.558 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cc(NC(=O)C[NH+]2CCCC[C@@H]2C)ccc1F ZINC000538546076 879692842 /nfs/dbraw/zinc/69/28/42/879692842.db2.gz MQJDVBNEWLHXNR-YZLZLFLDSA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000538546076 879692847 /nfs/dbraw/zinc/69/28/47/879692847.db2.gz MQJDVBNEWLHXNR-YZLZLFLDSA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000538546076 879692853 /nfs/dbraw/zinc/69/28/53/879692853.db2.gz MQJDVBNEWLHXNR-YZLZLFLDSA-N 2 1 390.547 3.779 20 0 GHADMP COc1ccc2c(c1)C(=O)N(CN1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)C2 ZINC000790443224 879729509 /nfs/dbraw/zinc/72/95/09/879729509.db2.gz JMLSBCVLXUDIHU-GOSISDBHSA-N 2 1 385.552 3.585 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246789082 879803913 /nfs/dbraw/zinc/80/39/13/879803913.db2.gz MEUOYVAWIXBBQF-UCLAIMLFSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246789082 879803927 /nfs/dbraw/zinc/80/39/27/879803927.db2.gz MEUOYVAWIXBBQF-UCLAIMLFSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246789082 879803946 /nfs/dbraw/zinc/80/39/46/879803946.db2.gz MEUOYVAWIXBBQF-UCLAIMLFSA-N 2 1 399.362 3.682 20 0 GHADMP Cc1nn(C)c2ncc(C[N@@H+](C)[C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921653 879852019 /nfs/dbraw/zinc/85/20/19/879852019.db2.gz DBAVXFVBAWJHEA-UWJYYQICSA-N 2 1 377.536 3.762 20 0 GHADMP Cc1nn(C)c2ncc(C[N@H+](C)[C@H]3CCN(Cc4ccccc4)[C@@H](C)C3)cc12 ZINC000246921653 879852030 /nfs/dbraw/zinc/85/20/30/879852030.db2.gz DBAVXFVBAWJHEA-UWJYYQICSA-N 2 1 377.536 3.762 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000246988390 879873266 /nfs/dbraw/zinc/87/32/66/879873266.db2.gz KBNIHDRDGLGPKB-GGPKGHCWSA-N 2 1 376.541 3.636 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247015488 879884429 /nfs/dbraw/zinc/88/44/29/879884429.db2.gz XQKNHWGZHFKIGW-FNHZYXHNSA-N 2 1 399.362 3.682 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285940596 912507916 /nfs/dbraw/zinc/50/79/16/912507916.db2.gz DKUIQIJZQRONJD-QKLQHJQFSA-N 2 1 379.504 3.579 20 0 GHADMP CC[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065080 879906765 /nfs/dbraw/zinc/90/67/65/879906765.db2.gz ZYZSHTCAGNUSFO-YYWHXJBOSA-N 2 1 389.971 3.856 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285940609 912509712 /nfs/dbraw/zinc/50/97/12/912509712.db2.gz DKUIQIJZQRONJD-ZWOKBUDYSA-N 2 1 379.504 3.579 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000247208541 879942729 /nfs/dbraw/zinc/94/27/29/879942729.db2.gz WWHLOJAFUYISFX-BXWFABGCSA-N 2 1 380.374 3.595 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000247541046 880021988 /nfs/dbraw/zinc/02/19/88/880021988.db2.gz QVUQBADFUURSAQ-WOJBJXKFSA-N 2 1 386.584 3.776 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247662074 880041132 /nfs/dbraw/zinc/04/11/32/880041132.db2.gz XPVSGIAYHHZUFF-NGRWLJPCSA-N 2 1 382.552 3.669 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247662074 880041148 /nfs/dbraw/zinc/04/11/48/880041148.db2.gz XPVSGIAYHHZUFF-NGRWLJPCSA-N 2 1 382.552 3.669 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)c1ccccc1 ZINC000247672234 880045161 /nfs/dbraw/zinc/04/51/61/880045161.db2.gz QFAGIVLMUVDIKQ-PGRDOPGGSA-N 2 1 381.520 3.711 20 0 GHADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000247921396 880086592 /nfs/dbraw/zinc/08/65/92/880086592.db2.gz BGHSVQBIXKXFQL-VQIMIIECSA-N 2 1 385.577 3.859 20 0 GHADMP COCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453053381 880401979 /nfs/dbraw/zinc/40/19/79/880401979.db2.gz AGKJAAMTFXYOFR-ZLNRFVROSA-N 2 1 395.547 3.640 20 0 GHADMP COCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453053381 880401982 /nfs/dbraw/zinc/40/19/82/880401982.db2.gz AGKJAAMTFXYOFR-ZLNRFVROSA-N 2 1 395.547 3.640 20 0 GHADMP O[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000791621160 880545987 /nfs/dbraw/zinc/54/59/87/880545987.db2.gz SXAZAODIDJIMRL-SVFBPWRDSA-N 2 1 390.449 3.803 20 0 GHADMP O[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000791621160 880545993 /nfs/dbraw/zinc/54/59/93/880545993.db2.gz SXAZAODIDJIMRL-SVFBPWRDSA-N 2 1 390.449 3.803 20 0 GHADMP O[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000791621160 880545996 /nfs/dbraw/zinc/54/59/96/880545996.db2.gz SXAZAODIDJIMRL-SVFBPWRDSA-N 2 1 390.449 3.803 20 0 GHADMP O[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000791621160 880546000 /nfs/dbraw/zinc/54/60/00/880546000.db2.gz SXAZAODIDJIMRL-SVFBPWRDSA-N 2 1 390.449 3.803 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCOCC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453158520 880555257 /nfs/dbraw/zinc/55/52/57/880555257.db2.gz KADRPIGUPZHLAM-LDVJMBRRSA-N 2 1 384.564 3.747 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000531899821 880707758 /nfs/dbraw/zinc/70/77/58/880707758.db2.gz AWKYOPJRFNCJAP-KRWDZBQOSA-N 2 1 379.976 3.912 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1OC ZINC000286163910 912598951 /nfs/dbraw/zinc/59/89/51/912598951.db2.gz PZUSIPPBEFLNIL-INIZCTEOSA-N 2 1 384.524 3.739 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCO1 ZINC000453364573 880846189 /nfs/dbraw/zinc/84/61/89/880846189.db2.gz VIIJCTKQFACYPJ-HGUQERDASA-N 2 1 394.563 3.673 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000776865740 880914710 /nfs/dbraw/zinc/91/47/10/880914710.db2.gz SUJFXLQBDZRXRU-LGGPRVQUSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)NCCc1ccccc1 ZINC000453421923 880919175 /nfs/dbraw/zinc/91/91/75/880919175.db2.gz ZPDNCOGWLRTNFQ-QUVATAORSA-N 2 1 393.575 3.767 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453604213 881129412 /nfs/dbraw/zinc/12/94/12/881129412.db2.gz YEBIIMBCJIZVJK-UHFFFAOYSA-N 2 1 391.357 3.907 20 0 GHADMP Cc1cc(Cl)cc(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000120157560 881338402 /nfs/dbraw/zinc/33/84/02/881338402.db2.gz YFTOIZXYUBNFQU-FQEVSTJZSA-N 2 1 399.966 3.944 20 0 GHADMP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000134943284 883127775 /nfs/dbraw/zinc/12/77/75/883127775.db2.gz FKSPHYGCWYSKBJ-FQEVSTJZSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182687107 883231098 /nfs/dbraw/zinc/23/10/98/883231098.db2.gz YHQBVUAOWHHTCP-OALUTQOASA-N 2 1 390.616 3.736 20 0 GHADMP Fc1ccc(Cl)cc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910432 883289977 /nfs/dbraw/zinc/28/99/77/883289977.db2.gz CUHACXTYEGBDNN-KRWDZBQOSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc(Cl)cc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910432 883289992 /nfs/dbraw/zinc/28/99/92/883289992.db2.gz CUHACXTYEGBDNN-KRWDZBQOSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000648452069 883522963 /nfs/dbraw/zinc/52/29/63/883522963.db2.gz DQLFPDGMLMAFQE-KSSFIOAISA-N 2 1 397.332 3.809 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000476985621 883542630 /nfs/dbraw/zinc/54/26/30/883542630.db2.gz OFGSLQNROULGDK-HXUWFJFHSA-N 2 1 396.579 3.600 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000476985621 883542644 /nfs/dbraw/zinc/54/26/44/883542644.db2.gz OFGSLQNROULGDK-HXUWFJFHSA-N 2 1 396.579 3.600 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465559235 883608536 /nfs/dbraw/zinc/60/85/36/883608536.db2.gz YKUNWTBDRYLXQZ-JJXTWPQTSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465559235 883608539 /nfs/dbraw/zinc/60/85/39/883608539.db2.gz YKUNWTBDRYLXQZ-JJXTWPQTSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465559235 883608544 /nfs/dbraw/zinc/60/85/44/883608544.db2.gz YKUNWTBDRYLXQZ-JJXTWPQTSA-N 2 1 398.595 3.733 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OCc1cccnc1 ZINC000194062754 883655327 /nfs/dbraw/zinc/65/53/27/883655327.db2.gz JCQLFSBGEIVDAC-UHFFFAOYSA-N 2 1 381.520 3.633 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213182 883665876 /nfs/dbraw/zinc/66/58/76/883665876.db2.gz UWANPFOHEVALOT-YLJYHZDGSA-N 2 1 385.577 3.994 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000666172128 883779854 /nfs/dbraw/zinc/77/98/54/883779854.db2.gz ICRUGMLDIRFBBL-ATZDWAIDSA-N 2 1 381.358 3.991 20 0 GHADMP C[C@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC[N@H+]1C ZINC000666172370 883782128 /nfs/dbraw/zinc/78/21/28/883782128.db2.gz NWUFPSFSMCOIBR-UFONIEFXSA-N 2 1 381.539 3.866 20 0 GHADMP C[C@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC[NH+]1C ZINC000666172370 883782153 /nfs/dbraw/zinc/78/21/53/883782153.db2.gz NWUFPSFSMCOIBR-UFONIEFXSA-N 2 1 381.539 3.866 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC(=O)N1Cc1ccccc1 ZINC000556178801 884027789 /nfs/dbraw/zinc/02/77/89/884027789.db2.gz JIPJSQYBEDJZBE-HWHRFOGPSA-N 2 1 377.532 3.601 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC(=O)N1Cc1ccccc1 ZINC000556178801 884027807 /nfs/dbraw/zinc/02/78/07/884027807.db2.gz JIPJSQYBEDJZBE-HWHRFOGPSA-N 2 1 377.532 3.601 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793158 884079747 /nfs/dbraw/zinc/07/97/47/884079747.db2.gz GLRMZFVMBYJYCU-OAQYLSRUSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793158 884079763 /nfs/dbraw/zinc/07/97/63/884079763.db2.gz GLRMZFVMBYJYCU-OAQYLSRUSA-N 2 1 376.545 3.695 20 0 GHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000556247327 884225887 /nfs/dbraw/zinc/22/58/87/884225887.db2.gz VAROCFBBSPMDOT-HLJPNSHOSA-N 2 1 391.559 3.950 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+](C)[C@@H](Cc4ccccc4)C3)ccc21 ZINC000455860645 884229920 /nfs/dbraw/zinc/22/99/20/884229920.db2.gz QJINBGBGWGPFGO-GMAHTHKFSA-N 2 1 392.547 3.626 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)[C@@H](Cc4ccccc4)C3)ccc21 ZINC000455860645 884229939 /nfs/dbraw/zinc/22/99/39/884229939.db2.gz QJINBGBGWGPFGO-GMAHTHKFSA-N 2 1 392.547 3.626 20 0 GHADMP Cc1cc2cc(-n3ccc(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)cc3)ccc2c[nH+]1 ZINC001170501311 884459931 /nfs/dbraw/zinc/45/99/31/884459931.db2.gz ZALCLIUXRONTLY-LMDPOFIKSA-N 2 1 388.515 3.915 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)C[C@H](C)O1 ZINC000170780103 884550017 /nfs/dbraw/zinc/55/00/17/884550017.db2.gz LLGCFASDSGHSOS-IRXDYDNUSA-N 2 1 386.565 3.526 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130644163 884923482 /nfs/dbraw/zinc/92/34/82/884923482.db2.gz WBQAHFXJPQQOSN-QFIPXVFZSA-N 2 1 388.600 3.648 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCSc3cc(Cl)ccc3Cl)C2)CC1 ZINC000107369120 885305222 /nfs/dbraw/zinc/30/52/22/885305222.db2.gz JPKHEUWCOZRDKN-INIZCTEOSA-N 2 1 388.408 3.797 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000107327576 885343181 /nfs/dbraw/zinc/34/31/81/885343181.db2.gz ZXNRCKCIJJETEK-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001170523731 885424618 /nfs/dbraw/zinc/42/46/18/885424618.db2.gz IECYTPLKHIJEAO-UEQSERJNSA-N 2 1 392.543 3.976 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000107997675 885551502 /nfs/dbraw/zinc/55/15/02/885551502.db2.gz KNJVHEQSACTJQI-OYRHEFFESA-N 2 1 380.621 3.556 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000303406969 885552966 /nfs/dbraw/zinc/55/29/66/885552966.db2.gz QGPWVGDIFKPAAL-QHCPKHFHSA-N 2 1 377.532 3.636 20 0 GHADMP COc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1Cl ZINC000556585014 885563615 /nfs/dbraw/zinc/56/36/15/885563615.db2.gz DLRAWMPSGJORBU-HZPDHXFCSA-N 2 1 389.927 3.815 20 0 GHADMP COc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1Cl ZINC000556585014 885563634 /nfs/dbraw/zinc/56/36/34/885563634.db2.gz DLRAWMPSGJORBU-HZPDHXFCSA-N 2 1 389.927 3.815 20 0 GHADMP COC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC(c2ccccc2)CC1 ZINC000655769399 885653262 /nfs/dbraw/zinc/65/32/62/885653262.db2.gz ZCLRVZGAFWSZJT-RZMWZJFBSA-N 2 1 386.580 3.962 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000108428231 885729053 /nfs/dbraw/zinc/72/90/53/885729053.db2.gz RCRUSAVBDVHQIF-LJQANCHMSA-N 2 1 390.531 3.979 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444919 885830316 /nfs/dbraw/zinc/83/03/16/885830316.db2.gz OBJVOSSSOOHYQN-HBUYNFGHSA-N 2 1 391.559 3.676 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808154149 886060883 /nfs/dbraw/zinc/06/08/83/886060883.db2.gz OPPACYRACOSUML-OAQYLSRUSA-N 2 1 380.536 3.532 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808154149 886060903 /nfs/dbraw/zinc/06/09/03/886060903.db2.gz OPPACYRACOSUML-OAQYLSRUSA-N 2 1 380.536 3.532 20 0 GHADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000762483116 886274950 /nfs/dbraw/zinc/27/49/50/886274950.db2.gz WHJYZDVUIRSAMA-NRFANRHFSA-N 2 1 397.563 3.868 20 0 GHADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc(C)c1OCc1ccccn1 ZINC000762483121 886275363 /nfs/dbraw/zinc/27/53/63/886275363.db2.gz WHJYZDVUIRSAMA-OAQYLSRUSA-N 2 1 397.563 3.868 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000648787424 886313642 /nfs/dbraw/zinc/31/36/42/886313642.db2.gz OQBHPCKGODTZAA-CQSZACIVSA-N 2 1 378.904 3.629 20 0 GHADMP CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072733218 886358723 /nfs/dbraw/zinc/35/87/23/886358723.db2.gz OTVVOFXGMXIFQN-JOCHJYFZSA-N 2 1 380.536 3.877 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001168322841 886483221 /nfs/dbraw/zinc/48/32/21/886483221.db2.gz YDZANTRFAHNSBZ-BBHUYCHWSA-N 2 1 389.559 3.617 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C3c4ccccc4C(c4ccccc43)[C@@H]1[NH3+])C2 ZINC001168242645 886530457 /nfs/dbraw/zinc/53/04/57/886530457.db2.gz DEPIJFNINVJHLD-CJTFFPMFSA-N 2 1 382.507 3.739 20 0 GHADMP CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132058699 886660265 /nfs/dbraw/zinc/66/02/65/886660265.db2.gz RHJFZENOSGIJJF-FQEVSTJZSA-N 2 1 379.548 3.678 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc4ncccc4c3)CC2)CC1 ZINC000537621403 886785135 /nfs/dbraw/zinc/78/51/35/886785135.db2.gz NOLKKLJJUCKDIC-UHFFFAOYSA-N 2 1 380.580 3.863 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2ncccc2c1 ZINC000537621403 886785149 /nfs/dbraw/zinc/78/51/49/886785149.db2.gz NOLKKLJJUCKDIC-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2ncccc2c1 ZINC000537621403 886785162 /nfs/dbraw/zinc/78/51/62/886785162.db2.gz NOLKKLJJUCKDIC-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000465503563 886814568 /nfs/dbraw/zinc/81/45/68/886814568.db2.gz DCORUBCLUZBIFV-FCHUYYIVSA-N 2 1 386.584 3.504 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000648805372 886867565 /nfs/dbraw/zinc/86/75/65/886867565.db2.gz SUXWFNSCKDVYSR-ZWKOTPCHSA-N 2 1 384.524 3.756 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000648805372 886867586 /nfs/dbraw/zinc/86/75/86/886867586.db2.gz SUXWFNSCKDVYSR-ZWKOTPCHSA-N 2 1 384.524 3.756 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459271701 886948319 /nfs/dbraw/zinc/94/83/19/886948319.db2.gz WHXPIHVGEAYYKI-RZUBCFFCSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000459271701 886948328 /nfs/dbraw/zinc/94/83/28/886948328.db2.gz WHXPIHVGEAYYKI-RZUBCFFCSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000459271701 886948347 /nfs/dbraw/zinc/94/83/47/886948347.db2.gz WHXPIHVGEAYYKI-RZUBCFFCSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCN(C4CCCCC4)C3=O)cc2)CC1 ZINC000863370005 887065040 /nfs/dbraw/zinc/06/50/40/887065040.db2.gz UPXDQCDJRFEICZ-QHCPKHFHSA-N 2 1 398.595 3.810 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000762925076 887108619 /nfs/dbraw/zinc/10/86/19/887108619.db2.gz CDCCKZHDQIHIGL-MOPGFXCFSA-N 2 1 376.545 3.836 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000762925076 887108629 /nfs/dbraw/zinc/10/86/29/887108629.db2.gz CDCCKZHDQIHIGL-MOPGFXCFSA-N 2 1 376.545 3.836 20 0 GHADMP CC(C)CC[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000863665367 887273158 /nfs/dbraw/zinc/27/31/58/887273158.db2.gz IGBLGFVLWXZYLL-KRWDZBQOSA-N 2 1 391.947 3.968 20 0 GHADMP CC(C)CC[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000863665367 887273174 /nfs/dbraw/zinc/27/31/74/887273174.db2.gz IGBLGFVLWXZYLL-KRWDZBQOSA-N 2 1 391.947 3.968 20 0 GHADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC(C)(C)C ZINC001170581954 887513970 /nfs/dbraw/zinc/51/39/70/887513970.db2.gz IQQFZSBDXYDGRG-LJQANCHMSA-N 2 1 379.976 3.961 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809664832 887690211 /nfs/dbraw/zinc/69/02/11/887690211.db2.gz KSJIUBXFKLBZKO-QWFCFKBJSA-N 2 1 375.557 3.790 20 0 GHADMP COc1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)ccc1OC(=O)C1CC1 ZINC000809738744 887775180 /nfs/dbraw/zinc/77/51/80/887775180.db2.gz HOJBFBGIGWLBBZ-UHFFFAOYSA-N 2 1 382.504 3.704 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000809738845 887775408 /nfs/dbraw/zinc/77/54/08/887775408.db2.gz MLYKHRIZKPNKRZ-UHFFFAOYSA-N 3 1 394.607 3.911 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000809973212 888031737 /nfs/dbraw/zinc/03/17/37/888031737.db2.gz KSXOQOFQZVEHJP-QFIPXVFZSA-N 2 1 375.532 3.501 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](N(CC[NH+]3CCCC3)Cc3ccncc3)C2)cc1 ZINC000794801471 888070809 /nfs/dbraw/zinc/07/08/09/888070809.db2.gz AYUWMYBCTBOSDK-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCC[NH+](C)C1CC1 ZINC000454276251 888309850 /nfs/dbraw/zinc/30/98/50/888309850.db2.gz XVSRHSAWZDCURH-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454276251 888309866 /nfs/dbraw/zinc/30/98/66/888309866.db2.gz XVSRHSAWZDCURH-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454276251 888309881 /nfs/dbraw/zinc/30/98/81/888309881.db2.gz XVSRHSAWZDCURH-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000237961595 888700001 /nfs/dbraw/zinc/70/00/01/888700001.db2.gz FXLDQCDQWAVAFX-UHFFFAOYSA-N 2 1 391.437 3.559 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000810650043 888746401 /nfs/dbraw/zinc/74/64/01/888746401.db2.gz YXVFGVBYKKYSOR-RFWXGWTQSA-N 2 1 389.559 3.616 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000810650043 888746406 /nfs/dbraw/zinc/74/64/06/888746406.db2.gz YXVFGVBYKKYSOR-RFWXGWTQSA-N 2 1 389.559 3.616 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000532802424 888972911 /nfs/dbraw/zinc/97/29/11/888972911.db2.gz YKIPVSWLVUGYGI-NQIIRXRSSA-N 2 1 393.510 3.797 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000124369308 889607844 /nfs/dbraw/zinc/60/78/44/889607844.db2.gz LYVSMOLFTFFRSE-HKUYNNGSSA-N 2 1 383.540 3.519 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000124369308 889607849 /nfs/dbraw/zinc/60/78/49/889607849.db2.gz LYVSMOLFTFFRSE-HKUYNNGSSA-N 2 1 383.540 3.519 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000124396541 889619329 /nfs/dbraw/zinc/61/93/29/889619329.db2.gz YRKJDGPGGSIZSN-JTHBVZDNSA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000533080553 889707668 /nfs/dbraw/zinc/70/76/68/889707668.db2.gz KDJWEFOYDJZDKL-GMKZXUHWSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000533080553 889707671 /nfs/dbraw/zinc/70/76/71/889707671.db2.gz KDJWEFOYDJZDKL-GMKZXUHWSA-N 2 1 380.532 3.949 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125470611 890007607 /nfs/dbraw/zinc/00/76/07/890007607.db2.gz CBQQZGIUFMNMFV-DENIHFKCSA-N 3 1 393.641 3.687 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125470611 890007624 /nfs/dbraw/zinc/00/76/24/890007624.db2.gz CBQQZGIUFMNMFV-DENIHFKCSA-N 2 1 393.641 3.687 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000125658291 890067707 /nfs/dbraw/zinc/06/77/07/890067707.db2.gz CYKLENLWUCICNJ-JOCHJYFZSA-N 2 1 382.552 3.629 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000247094369 891343488 /nfs/dbraw/zinc/34/34/88/891343488.db2.gz RTBWQEWWAKJIOB-VIZSFHNOSA-N 2 1 398.620 3.855 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000247094369 891343501 /nfs/dbraw/zinc/34/35/01/891343501.db2.gz RTBWQEWWAKJIOB-VIZSFHNOSA-N 2 1 398.620 3.855 20 0 GHADMP COc1cccc(C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CCC(O)CC2)c1 ZINC000873208280 891523501 /nfs/dbraw/zinc/52/35/01/891523501.db2.gz KVGHDWXJZLEJBT-UHFFFAOYSA-N 2 1 386.561 3.708 20 0 GHADMP C[C@H](c1ccccc1Br)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497486435 891681511 /nfs/dbraw/zinc/68/15/11/891681511.db2.gz AVPORFRYHCUDIH-HRBLRVMOSA-N 2 1 392.385 3.753 20 0 GHADMP COCCn1c(C)c(C)n(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1=S ZINC000917444777 892010945 /nfs/dbraw/zinc/01/09/45/892010945.db2.gz NBSWADKKUZYYPM-UHFFFAOYSA-N 2 1 394.629 3.828 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000261756199 892100803 /nfs/dbraw/zinc/10/08/03/892100803.db2.gz HSMOOVKZSCYUJV-OAQYLSRUSA-N 2 1 379.548 3.537 20 0 GHADMP Brc1ccccc1-c1noc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000261835801 892137254 /nfs/dbraw/zinc/13/72/54/892137254.db2.gz JKEUABPKANYBCQ-INIZCTEOSA-N 2 1 391.313 3.636 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2)C1 ZINC000262312762 892259837 /nfs/dbraw/zinc/25/98/37/892259837.db2.gz PGPNFVCSONZTBV-OMTPKSFGSA-N 2 1 383.580 3.688 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000874832801 892344709 /nfs/dbraw/zinc/34/47/09/892344709.db2.gz HEMUHOFWHJTDGC-GOTSBHOMSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874832801 892344730 /nfs/dbraw/zinc/34/47/30/892344730.db2.gz HEMUHOFWHJTDGC-GOTSBHOMSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874832801 892344749 /nfs/dbraw/zinc/34/47/49/892344749.db2.gz HEMUHOFWHJTDGC-GOTSBHOMSA-N 2 1 377.532 3.627 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000262669824 892449347 /nfs/dbraw/zinc/44/93/47/892449347.db2.gz MXXDLPFXBGANQK-ZEUDZUEXSA-N 2 1 383.580 3.701 20 0 GHADMP CC(C)[C@@H](C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000497832154 892547085 /nfs/dbraw/zinc/54/70/85/892547085.db2.gz NXUWJTOZSRFLRL-QPPBQGQZSA-N 2 1 392.547 3.779 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)nnn1-c1ccc(F)cc1 ZINC000162570400 892747419 /nfs/dbraw/zinc/74/74/19/892747419.db2.gz IBTUBRVYUWZKDR-MRXNPFEDSA-N 2 1 397.498 3.506 20 0 GHADMP C[C@@H](NCc1cccnc1OCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714358 892792411 /nfs/dbraw/zinc/79/24/11/892792411.db2.gz HABRJOQURQJYNU-VQIMIIECSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714358 892792418 /nfs/dbraw/zinc/79/24/18/892792418.db2.gz HABRJOQURQJYNU-VQIMIIECSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714358 892792434 /nfs/dbraw/zinc/79/24/34/892792434.db2.gz HABRJOQURQJYNU-VQIMIIECSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709202 892801625 /nfs/dbraw/zinc/80/16/25/892801625.db2.gz GOQVIHADLBXPGO-NZQKXSOJSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709202 892801644 /nfs/dbraw/zinc/80/16/44/892801644.db2.gz GOQVIHADLBXPGO-NZQKXSOJSA-N 2 1 379.548 3.841 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711316 892819916 /nfs/dbraw/zinc/81/99/16/892819916.db2.gz OTOZLQSQLBPKTG-KOVSNXQUSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711316 892819934 /nfs/dbraw/zinc/81/99/34/892819934.db2.gz OTOZLQSQLBPKTG-KOVSNXQUSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711316 892819947 /nfs/dbraw/zinc/81/99/47/892819947.db2.gz OTOZLQSQLBPKTG-KOVSNXQUSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711316 892819959 /nfs/dbraw/zinc/81/99/59/892819959.db2.gz OTOZLQSQLBPKTG-KOVSNXQUSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711316 892819978 /nfs/dbraw/zinc/81/99/78/892819978.db2.gz OTOZLQSQLBPKTG-KOVSNXQUSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711316 892819994 /nfs/dbraw/zinc/81/99/94/892819994.db2.gz OTOZLQSQLBPKTG-KOVSNXQUSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711316 892820013 /nfs/dbraw/zinc/82/00/13/892820013.db2.gz OTOZLQSQLBPKTG-KOVSNXQUSA-N 3 1 387.612 3.624 20 0 GHADMP COc1cc(NCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000508723505 892989855 /nfs/dbraw/zinc/98/98/55/892989855.db2.gz XJYYCSDFUGGTQG-QUCCMNQESA-N 2 1 383.536 3.616 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000498040883 893050695 /nfs/dbraw/zinc/05/06/95/893050695.db2.gz FYHJPBREOJBOJQ-UYAOXDASSA-N 2 1 392.613 3.648 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000563040089 893314502 /nfs/dbraw/zinc/31/45/02/893314502.db2.gz MZSSLZBIIFJFIA-INIZCTEOSA-N 2 1 381.524 3.558 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)s1 ZINC000815159110 893497242 /nfs/dbraw/zinc/49/72/42/893497242.db2.gz IWXQNELCEUBTAO-UHFFFAOYSA-N 2 1 397.947 3.879 20 0 GHADMP FC(F)(F)c1cnc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c(Cl)c1 ZINC000459432166 893523259 /nfs/dbraw/zinc/52/32/59/893523259.db2.gz KOKJMWWYYFPGCS-AWEZNQCLSA-N 2 1 388.865 3.549 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)NCC[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000459463513 893576363 /nfs/dbraw/zinc/57/63/63/893576363.db2.gz MFMLXYUSRJWFBT-OAQYLSRUSA-N 2 1 386.584 3.814 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000459480149 893593847 /nfs/dbraw/zinc/59/38/47/893593847.db2.gz JGEAIIWMTGLWOK-HXUWFJFHSA-N 2 1 394.563 3.655 20 0 GHADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)CC2)c1 ZINC000536730537 893638024 /nfs/dbraw/zinc/63/80/24/893638024.db2.gz PQLCPGZQWWJOND-NZQKXSOJSA-N 2 1 384.564 3.941 20 0 GHADMP COCc1cccc(OCC2(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)CC2)c1 ZINC000536730537 893638033 /nfs/dbraw/zinc/63/80/33/893638033.db2.gz PQLCPGZQWWJOND-NZQKXSOJSA-N 2 1 384.564 3.941 20 0 GHADMP COCc1cccc(OCC2(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)CC2)c1 ZINC000536730537 893638042 /nfs/dbraw/zinc/63/80/42/893638042.db2.gz PQLCPGZQWWJOND-NZQKXSOJSA-N 2 1 384.564 3.941 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000563487817 893806153 /nfs/dbraw/zinc/80/61/53/893806153.db2.gz QUVZLQGMPXSPTF-LJQANCHMSA-N 2 1 386.561 3.625 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224939 893987814 /nfs/dbraw/zinc/98/78/14/893987814.db2.gz WKBLCEGGVVJCKV-LQWHRVPQSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224939 893987820 /nfs/dbraw/zinc/98/78/20/893987820.db2.gz WKBLCEGGVVJCKV-LQWHRVPQSA-N 2 1 387.568 3.885 20 0 GHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159984 894059169 /nfs/dbraw/zinc/05/91/69/894059169.db2.gz CERHPDRETANDNA-UPVQGACJSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159984 894059187 /nfs/dbraw/zinc/05/91/87/894059187.db2.gz CERHPDRETANDNA-UPVQGACJSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159984 894059203 /nfs/dbraw/zinc/05/92/03/894059203.db2.gz CERHPDRETANDNA-UPVQGACJSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198122 894085928 /nfs/dbraw/zinc/08/59/28/894085928.db2.gz SPQUDXZTGBZPQO-XPWALMASSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198122 894085937 /nfs/dbraw/zinc/08/59/37/894085937.db2.gz SPQUDXZTGBZPQO-XPWALMASSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198122 894085947 /nfs/dbraw/zinc/08/59/47/894085947.db2.gz SPQUDXZTGBZPQO-XPWALMASSA-N 2 1 384.564 3.559 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000536910157 894091385 /nfs/dbraw/zinc/09/13/85/894091385.db2.gz OYGIZJVPONPWBF-MRXNPFEDSA-N 2 1 383.458 3.663 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(-c3cccc(O)c3)o2)CC1)CC1CC1 ZINC000878338854 894203599 /nfs/dbraw/zinc/20/35/99/894203599.db2.gz DBMBBXKHAQLOFY-UHFFFAOYSA-N 2 1 384.524 3.776 20 0 GHADMP C[NH+](C)CC1(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCCCC1 ZINC000460193980 894834889 /nfs/dbraw/zinc/83/48/89/894834889.db2.gz PBICMUYWKOVZJD-UHFFFAOYSA-N 2 1 393.522 3.558 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000476046928 895044866 /nfs/dbraw/zinc/04/48/66/895044866.db2.gz ASUWYGDMYJOHFP-XUZZJYLKSA-N 2 1 398.595 3.559 20 0 GHADMP [NH3+]CCCN(CC1CCCC1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000564948798 895320302 /nfs/dbraw/zinc/32/03/02/895320302.db2.gz MNYFWDPUSPORSA-FQEVSTJZSA-N 2 1 386.584 3.861 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1cc(C)cc(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000564990168 895341234 /nfs/dbraw/zinc/34/12/34/895341234.db2.gz MNXIMJGXEDOJOZ-QFIPXVFZSA-N 2 1 396.579 3.933 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1cc(C)cc(C)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000564990168 895341249 /nfs/dbraw/zinc/34/12/49/895341249.db2.gz MNXIMJGXEDOJOZ-QFIPXVFZSA-N 2 1 396.579 3.933 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817293785 895467295 /nfs/dbraw/zinc/46/72/95/895467295.db2.gz SFRVZENRUSDCQV-AOIWGVFYSA-N 2 1 378.561 3.843 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817293785 895467301 /nfs/dbraw/zinc/46/73/01/895467301.db2.gz SFRVZENRUSDCQV-AOIWGVFYSA-N 2 1 378.561 3.843 20 0 GHADMP CC[N@@H+](CCc1cccs1)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000565320667 895530266 /nfs/dbraw/zinc/53/02/66/895530266.db2.gz DYWDPHOQURRTBH-UHFFFAOYSA-N 2 1 399.604 3.702 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000828089254 895691489 /nfs/dbraw/zinc/69/14/89/895691489.db2.gz YQJLCUZYKBPPIK-UHFFFAOYSA-N 2 1 378.561 3.941 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000828089254 895691501 /nfs/dbraw/zinc/69/15/01/895691501.db2.gz YQJLCUZYKBPPIK-UHFFFAOYSA-N 2 1 378.561 3.941 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC001135983572 895827159 /nfs/dbraw/zinc/82/71/59/895827159.db2.gz XEPXLDRJQVMPAE-HSZRJFAPSA-N 2 1 397.538 3.948 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC001135983572 895827182 /nfs/dbraw/zinc/82/71/82/895827182.db2.gz XEPXLDRJQVMPAE-HSZRJFAPSA-N 2 1 397.538 3.948 20 0 GHADMP CC[C@H](C)Oc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000565726523 895835695 /nfs/dbraw/zinc/83/56/95/895835695.db2.gz ZITFDRHOJBLTJJ-SFHVURJKSA-N 2 1 387.568 3.999 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000817893277 895951147 /nfs/dbraw/zinc/95/11/47/895951147.db2.gz QVDTZRSSRYGUFM-ZIFCJYIRSA-N 2 1 377.548 3.748 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000566042570 896066678 /nfs/dbraw/zinc/06/66/78/896066678.db2.gz OLXPFDFFKGXEFL-DHIUTWEWSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000566109880 896115571 /nfs/dbraw/zinc/11/55/71/896115571.db2.gz DOXYMWLNLAHKJQ-UZLBHIALSA-N 2 1 387.474 3.936 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000566109880 896115573 /nfs/dbraw/zinc/11/55/73/896115573.db2.gz DOXYMWLNLAHKJQ-UZLBHIALSA-N 2 1 387.474 3.936 20 0 GHADMP Clc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cn1 ZINC001137163937 896170618 /nfs/dbraw/zinc/17/06/18/896170618.db2.gz BNSDZJJPSJJWQF-UHFFFAOYSA-N 2 1 377.941 3.664 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CC12CCOCC2 ZINC000566245553 896196989 /nfs/dbraw/zinc/19/69/89/896196989.db2.gz UWSXEDYTIAOVGV-IBGZPJMESA-N 2 1 382.504 3.545 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@@H]3C)CC2)CC1 ZINC000566441720 896316069 /nfs/dbraw/zinc/31/60/69/896316069.db2.gz JQXFAKORPIWNTO-CVDCTZTESA-N 2 1 383.580 3.587 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819183164 896453994 /nfs/dbraw/zinc/45/39/94/896453994.db2.gz UKRJNVJOWCOFLW-KSSFIOAISA-N 2 1 387.337 3.579 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819283551 896527490 /nfs/dbraw/zinc/52/74/90/896527490.db2.gz KZCMLVSTYYMOLZ-ISKFKSNPSA-N 2 1 382.548 3.545 20 0 GHADMP CC[NH+]1CCC(C[NH2+]Cc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 ZINC000567636407 897305825 /nfs/dbraw/zinc/30/58/25/897305825.db2.gz GQRLRFXFSZDDCL-UHFFFAOYSA-N 2 1 390.528 3.788 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)cn1 ZINC000883175043 897342902 /nfs/dbraw/zinc/34/29/02/897342902.db2.gz XVRJNJXDMUOCPN-JOCHJYFZSA-N 2 1 380.467 3.972 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(Br)c1OC ZINC000567871134 897464182 /nfs/dbraw/zinc/46/41/82/897464182.db2.gz RXPFVOHLLMZJCX-HOTGVXAUSA-N 2 1 397.357 3.678 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC001136365389 897467297 /nfs/dbraw/zinc/46/72/97/897467297.db2.gz UNXLPTHJMMTILG-UHFFFAOYSA-N 2 1 394.563 3.838 20 0 GHADMP CC(C)c1ccc(C2(O)CCC([NH2+]CCCC[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000131448439 897468028 /nfs/dbraw/zinc/46/80/28/897468028.db2.gz ISCRQAVPBNVGEN-NSQNTRMNSA-N 2 1 388.596 3.767 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)cc1)C1CC1 ZINC000567961202 897509350 /nfs/dbraw/zinc/50/93/50/897509350.db2.gz ANXVKDXBYHQPCT-LJQANCHMSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1)C1CC1 ZINC000567961202 897509362 /nfs/dbraw/zinc/50/93/62/897509362.db2.gz ANXVKDXBYHQPCT-LJQANCHMSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1)C1CC1 ZINC000567961202 897509378 /nfs/dbraw/zinc/50/93/78/897509378.db2.gz ANXVKDXBYHQPCT-LJQANCHMSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000568164279 897648475 /nfs/dbraw/zinc/64/84/75/897648475.db2.gz ORDKSVCVZCKJJY-LJQANCHMSA-N 2 1 375.900 3.522 20 0 GHADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1F ZINC000568198765 897667913 /nfs/dbraw/zinc/66/79/13/897667913.db2.gz HTNZGHFJTZDWOW-OAQYLSRUSA-N 2 1 393.522 3.728 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccnc1Cl ZINC000028888698 897989164 /nfs/dbraw/zinc/98/91/64/897989164.db2.gz BAWNWDULZPUCTK-MRXNPFEDSA-N 2 1 386.927 3.838 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc(OC)c1OCC(F)F ZINC000289547190 914234271 /nfs/dbraw/zinc/23/42/71/914234271.db2.gz CYYXMKFKNOVZEG-UHFFFAOYSA-N 2 1 386.483 3.558 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000569101381 898341739 /nfs/dbraw/zinc/34/17/39/898341739.db2.gz NJDTUGSBFFLOKL-PGRDOPGGSA-N 2 1 380.536 3.512 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000155205785 898416810 /nfs/dbraw/zinc/41/68/10/898416810.db2.gz DTYKXJGLZRRJQC-AUSIDOKSSA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000155205785 898416812 /nfs/dbraw/zinc/41/68/12/898416812.db2.gz DTYKXJGLZRRJQC-AUSIDOKSSA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155205785 898416814 /nfs/dbraw/zinc/41/68/14/898416814.db2.gz DTYKXJGLZRRJQC-AUSIDOKSSA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155205785 898416822 /nfs/dbraw/zinc/41/68/22/898416822.db2.gz DTYKXJGLZRRJQC-AUSIDOKSSA-N 2 1 380.532 3.887 20 0 GHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000569222685 898443165 /nfs/dbraw/zinc/44/31/65/898443165.db2.gz MSUOJYJLDARUKG-IMFGXOCKSA-N 2 1 392.613 3.503 20 0 GHADMP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)CC(C)(C)C ZINC001136635166 898661629 /nfs/dbraw/zinc/66/16/29/898661629.db2.gz DJDJXQQIZNUYSY-IBGZPJMESA-N 2 1 379.976 3.789 20 0 GHADMP C[N@@H+](CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)CC(C)(C)C ZINC001136635166 898661640 /nfs/dbraw/zinc/66/16/40/898661640.db2.gz DJDJXQQIZNUYSY-IBGZPJMESA-N 2 1 379.976 3.789 20 0 GHADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)CC(C)(C)C ZINC001136635166 898661651 /nfs/dbraw/zinc/66/16/51/898661651.db2.gz DJDJXQQIZNUYSY-IBGZPJMESA-N 2 1 379.976 3.789 20 0 GHADMP C[NH+](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)CC(C)(C)C ZINC001136635166 898661666 /nfs/dbraw/zinc/66/16/66/898661666.db2.gz DJDJXQQIZNUYSY-IBGZPJMESA-N 2 1 379.976 3.789 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)C1 ZINC001136640100 898701999 /nfs/dbraw/zinc/70/19/99/898701999.db2.gz LGTGESDXVGFUDO-QGZVFWFLSA-N 2 1 383.540 3.608 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)C1 ZINC001136640100 898702011 /nfs/dbraw/zinc/70/20/11/898702011.db2.gz LGTGESDXVGFUDO-QGZVFWFLSA-N 2 1 383.540 3.608 20 0 GHADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000646140231 914283542 /nfs/dbraw/zinc/28/35/42/914283542.db2.gz INARIGCYJJGDKI-VWNXMTODSA-N 2 1 377.532 3.510 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@@H]5CCCC[C@H]5[NH2+]4)n3)cc2F)CC1 ZINC000822950880 898748643 /nfs/dbraw/zinc/74/86/43/898748643.db2.gz FARKEQPKWLXROV-IPELMVKDSA-N 2 1 399.514 3.611 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000570543021 899373333 /nfs/dbraw/zinc/37/33/33/899373333.db2.gz UXGQYGDDCQMPGU-AUSIDOKSSA-N 2 1 379.548 3.921 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)[C@@H]1c1cccs1 ZINC000884227810 899431296 /nfs/dbraw/zinc/43/12/96/899431296.db2.gz YPGPZSWWEDPJAD-PLMTUMEDSA-N 2 1 397.544 3.563 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000824383579 899576433 /nfs/dbraw/zinc/57/64/33/899576433.db2.gz QERBKPCCUPWPRA-UHFFFAOYSA-N 2 1 387.955 3.870 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000824383579 899576439 /nfs/dbraw/zinc/57/64/39/899576439.db2.gz QERBKPCCUPWPRA-UHFFFAOYSA-N 2 1 387.955 3.870 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646297052 914387112 /nfs/dbraw/zinc/38/71/12/914387112.db2.gz GCANFTDXJQRWTN-PDXHDDNESA-N 2 1 393.522 3.631 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646297052 914387129 /nfs/dbraw/zinc/38/71/29/914387129.db2.gz GCANFTDXJQRWTN-PDXHDDNESA-N 2 1 393.522 3.631 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824949566 899902701 /nfs/dbraw/zinc/90/27/01/899902701.db2.gz YCFXHFQTXNAGFK-QZTJIDSGSA-N 2 1 390.535 3.949 20 0 GHADMP [NH3+][C@H](CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000571556263 899911573 /nfs/dbraw/zinc/91/15/73/899911573.db2.gz MLJVKYCEGMCKDT-WVUPVLJSSA-N 2 1 377.532 3.778 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024037 900111939 /nfs/dbraw/zinc/11/19/39/900111939.db2.gz OECQHPSGMRPOKL-NRFANRHFSA-N 2 1 382.504 3.565 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000289925166 914429175 /nfs/dbraw/zinc/42/91/75/914429175.db2.gz VJFQJMDXTCXHNC-INIZCTEOSA-N 2 1 387.528 3.749 20 0 GHADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001143679594 900337877 /nfs/dbraw/zinc/33/78/77/900337877.db2.gz OFUXPMQENCEUAE-HSZRJFAPSA-N 2 1 379.548 3.504 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001143679594 900337892 /nfs/dbraw/zinc/33/78/92/900337892.db2.gz OFUXPMQENCEUAE-HSZRJFAPSA-N 2 1 379.548 3.504 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000289950458 914444959 /nfs/dbraw/zinc/44/49/59/914444959.db2.gz PENFWKNOJWLRJP-QUCCMNQESA-N 2 1 388.552 3.812 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000289950458 914444968 /nfs/dbraw/zinc/44/49/68/914444968.db2.gz PENFWKNOJWLRJP-QUCCMNQESA-N 2 1 388.552 3.812 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000289950458 914444973 /nfs/dbraw/zinc/44/49/73/914444973.db2.gz PENFWKNOJWLRJP-QUCCMNQESA-N 2 1 388.552 3.812 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000646366653 914447914 /nfs/dbraw/zinc/44/79/14/914447914.db2.gz QBVAUIXPLUOYHO-DEOSSOPVSA-N 2 1 391.559 3.780 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000573886164 900687198 /nfs/dbraw/zinc/68/71/98/900687198.db2.gz GRWAZNVRURRAQK-HXUWFJFHSA-N 2 1 395.572 3.992 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCC(F)F ZINC000886059587 900697648 /nfs/dbraw/zinc/69/76/48/900697648.db2.gz IOQHXJMYDRHZHI-HXUWFJFHSA-N 2 1 390.474 3.577 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327379 900699507 /nfs/dbraw/zinc/69/95/07/900699507.db2.gz QSCVTTKRCNWGLC-ICSRJNTNSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327379 900699514 /nfs/dbraw/zinc/69/95/14/900699514.db2.gz QSCVTTKRCNWGLC-ICSRJNTNSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327379 900699521 /nfs/dbraw/zinc/69/95/21/900699521.db2.gz QSCVTTKRCNWGLC-ICSRJNTNSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327379 900699531 /nfs/dbraw/zinc/69/95/31/900699531.db2.gz QSCVTTKRCNWGLC-ICSRJNTNSA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328866 900701281 /nfs/dbraw/zinc/70/12/81/900701281.db2.gz ZKEUPRLQICTRJC-LAUBAEHRSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328866 900701286 /nfs/dbraw/zinc/70/12/86/900701286.db2.gz ZKEUPRLQICTRJC-LAUBAEHRSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328866 900701292 /nfs/dbraw/zinc/70/12/92/900701292.db2.gz ZKEUPRLQICTRJC-LAUBAEHRSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328866 900701301 /nfs/dbraw/zinc/70/13/01/900701301.db2.gz ZKEUPRLQICTRJC-LAUBAEHRSA-N 2 1 376.541 3.991 20 0 GHADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCCC1 ZINC001144054761 901025507 /nfs/dbraw/zinc/02/55/07/901025507.db2.gz CPVBZNAAHQRCRY-LJQANCHMSA-N 2 1 377.960 3.685 20 0 GHADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCCC1 ZINC001144054761 901025516 /nfs/dbraw/zinc/02/55/16/901025516.db2.gz CPVBZNAAHQRCRY-LJQANCHMSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H](CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000575399268 901224069 /nfs/dbraw/zinc/22/40/69/901224069.db2.gz YSCVSLWWLQDIRD-SOIKWTOOSA-N 2 1 395.950 3.614 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144195579 901234985 /nfs/dbraw/zinc/23/49/85/901234985.db2.gz VWKIDWBAEJWTRT-KRWDZBQOSA-N 2 1 398.482 3.551 20 0 GHADMP CCC[C@H]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000576001915 901576040 /nfs/dbraw/zinc/57/60/40/901576040.db2.gz MGLMSHOUHCAWQW-PZJWPPBQSA-N 2 1 377.617 3.905 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001144321345 901728621 /nfs/dbraw/zinc/72/86/21/901728621.db2.gz IKSYSSSKKISRMN-HSZRJFAPSA-N 2 1 379.548 3.900 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](Cc2cncc(C[NH+]3CCCO[C@@H](C(C)C)C3)c2)CCCO1 ZINC000576345563 901966668 /nfs/dbraw/zinc/96/66/68/901966668.db2.gz RUSAXCFEXRLWCE-ZRZAMGCNSA-N 2 1 389.584 3.575 20 0 GHADMP CC(C)[C@@H]1C[NH+](Cc2cncc(C[N@@H+]3CCCO[C@@H](C(C)C)C3)c2)CCCO1 ZINC000576345563 901966683 /nfs/dbraw/zinc/96/66/83/901966683.db2.gz RUSAXCFEXRLWCE-ZRZAMGCNSA-N 2 1 389.584 3.575 20 0 GHADMP CC(C)[C@@H]1C[NH+](Cc2cncc(C[N@H+]3CCCO[C@@H](C(C)C)C3)c2)CCCO1 ZINC000576345563 901966697 /nfs/dbraw/zinc/96/66/97/901966697.db2.gz RUSAXCFEXRLWCE-ZRZAMGCNSA-N 2 1 389.584 3.575 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000576364450 901973917 /nfs/dbraw/zinc/97/39/17/901973917.db2.gz HQVZUTKFOSPQAT-NRFANRHFSA-N 2 1 385.552 3.550 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893133 902338120 /nfs/dbraw/zinc/33/81/20/902338120.db2.gz WLDFKBWLSWMMNG-GVAUOCQISA-N 2 1 393.575 3.793 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893133 902338129 /nfs/dbraw/zinc/33/81/29/902338129.db2.gz WLDFKBWLSWMMNG-GVAUOCQISA-N 2 1 393.575 3.793 20 0 GHADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1Br ZINC000263719434 902433855 /nfs/dbraw/zinc/43/38/55/902433855.db2.gz OJJJXANSJOTLFZ-UHFFFAOYSA-N 2 1 394.357 3.728 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000047977448 902711387 /nfs/dbraw/zinc/71/13/87/902711387.db2.gz OYDIPQQTWGATRG-UHFFFAOYSA-N 2 1 385.524 3.994 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)c2cc1C(C)C ZINC000846226329 902801300 /nfs/dbraw/zinc/80/13/00/902801300.db2.gz WYJCFVKFRCVTOG-JLMWRMLUSA-N 2 1 398.547 3.943 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779015662 902860639 /nfs/dbraw/zinc/86/06/39/902860639.db2.gz AKIOFYZDYRQEFF-NRFANRHFSA-N 2 1 387.568 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000779016172 902881174 /nfs/dbraw/zinc/88/11/74/902881174.db2.gz ZNEVRGCEJQIZLY-VLCRHTCISA-N 2 1 399.579 3.854 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000290459971 914689710 /nfs/dbraw/zinc/68/97/10/914689710.db2.gz NACHAMAIPORDIF-UHFFFAOYSA-N 2 1 385.508 3.682 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000290459971 914689722 /nfs/dbraw/zinc/68/97/22/914689722.db2.gz NACHAMAIPORDIF-UHFFFAOYSA-N 2 1 385.508 3.682 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000577741973 903147488 /nfs/dbraw/zinc/14/74/88/903147488.db2.gz PDLFQDBHECQOLP-YPVJZLTNSA-N 2 1 397.950 3.595 20 0 GHADMP CC(C)([NH3+])c1nocc1C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000577745343 903150417 /nfs/dbraw/zinc/15/04/17/903150417.db2.gz HBPDOJDVTRLIMZ-UHFFFAOYSA-N 2 1 396.535 3.529 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCC[C@@H]3c3ccncc3)CC2)CC1 ZINC000577767287 903166572 /nfs/dbraw/zinc/16/65/72/903166572.db2.gz XRNQJNOXTVSVPK-HSZRJFAPSA-N 2 1 398.595 3.722 20 0 GHADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578623230 904011793 /nfs/dbraw/zinc/01/17/93/904011793.db2.gz RTKFHXCRLNOERS-KXBFYZLASA-N 2 1 398.378 3.982 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C)C(C)(C)C1(C)C ZINC001148800695 904214402 /nfs/dbraw/zinc/21/44/02/904214402.db2.gz YQRWPDXFMJMXGJ-UHFFFAOYSA-N 2 1 377.617 3.713 20 0 GHADMP Cn1c2ccccc2cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1=O ZINC000579138868 904372530 /nfs/dbraw/zinc/37/25/30/904372530.db2.gz YRAQETQHPHTGDM-VWLOTQADSA-N 2 1 387.527 3.637 20 0 GHADMP Cn1c2ccccc2cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1=O ZINC000579138868 904372546 /nfs/dbraw/zinc/37/25/46/904372546.db2.gz YRAQETQHPHTGDM-VWLOTQADSA-N 2 1 387.527 3.637 20 0 GHADMP Cn1c2ccccc2cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1=O ZINC000579138868 904372561 /nfs/dbraw/zinc/37/25/61/904372561.db2.gz YRAQETQHPHTGDM-VWLOTQADSA-N 2 1 387.527 3.637 20 0 GHADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000579341860 904530285 /nfs/dbraw/zinc/53/02/85/904530285.db2.gz ABHLWENCJKFAOO-CEXWTWQISA-N 2 1 384.973 3.534 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000579448478 904616345 /nfs/dbraw/zinc/61/63/45/904616345.db2.gz UHBWESLJOXSRKQ-IBGZPJMESA-N 2 1 383.540 3.955 20 0 GHADMP c1[nH+]c2cc(NC3CCN(c4cccnc4)CC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001171467744 904743622 /nfs/dbraw/zinc/74/36/22/904743622.db2.gz CHGFCOQKUSVSNJ-HXUWFJFHSA-N 2 1 390.535 3.827 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000579623830 904747270 /nfs/dbraw/zinc/74/72/70/904747270.db2.gz MWFXSWRZTSMDAM-HDICACEKSA-N 2 1 393.531 3.785 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604868 904867383 /nfs/dbraw/zinc/86/73/83/904867383.db2.gz IDWRROXGHVXNBL-FCGDIQPGSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604868 904867392 /nfs/dbraw/zinc/86/73/92/904867392.db2.gz IDWRROXGHVXNBL-FCGDIQPGSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604868 904867408 /nfs/dbraw/zinc/86/74/08/904867408.db2.gz IDWRROXGHVXNBL-FCGDIQPGSA-N 2 1 379.589 3.684 20 0 GHADMP C[C@H]1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171744114 904972124 /nfs/dbraw/zinc/97/21/24/904972124.db2.gz DNBAMJKBGPKEMK-BBUFESGYSA-N 2 1 375.560 3.980 20 0 GHADMP C[C@H]1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171744114 904972125 /nfs/dbraw/zinc/97/21/25/904972125.db2.gz DNBAMJKBGPKEMK-BBUFESGYSA-N 2 1 375.560 3.980 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(OC)ccc1Cl)C2 ZINC001137261692 904986627 /nfs/dbraw/zinc/98/66/27/904986627.db2.gz WFXVUUOGVONKON-RXVVDRJESA-N 2 1 378.944 3.529 20 0 GHADMP C[C@H]1C[C@H](N2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171737857 905021715 /nfs/dbraw/zinc/02/17/15/905021715.db2.gz FATOADQMGDORIE-CVDCTZTESA-N 2 1 381.539 3.825 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C2)CC1 ZINC001171859001 905107177 /nfs/dbraw/zinc/10/71/77/905107177.db2.gz WEILBARLCAFPAE-GOSISDBHSA-N 2 1 377.573 3.726 20 0 GHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001171967717 905176345 /nfs/dbraw/zinc/17/63/45/905176345.db2.gz SHZGCMZIHSGYLV-QGZVFWFLSA-N 2 1 383.502 3.596 20 0 GHADMP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171967658 905176535 /nfs/dbraw/zinc/17/65/35/905176535.db2.gz MPDQUMSHNBLYBV-JOCHJYFZSA-N 2 1 398.595 3.699 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC001171935798 905191504 /nfs/dbraw/zinc/19/15/04/905191504.db2.gz LFBDHLBGOVGKBF-NKDKCSAOSA-N 2 1 384.564 3.999 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171968829 905214074 /nfs/dbraw/zinc/21/40/74/905214074.db2.gz RQIYIKWPRCFCRZ-YADHBBJMSA-N 2 1 393.575 3.758 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987201 905248389 /nfs/dbraw/zinc/24/83/89/905248389.db2.gz RAWSBMOUDZAFJB-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987201 905248398 /nfs/dbraw/zinc/24/83/98/905248398.db2.gz RAWSBMOUDZAFJB-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987201 905248401 /nfs/dbraw/zinc/24/84/01/905248401.db2.gz RAWSBMOUDZAFJB-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP CCN1CC[C@H]([NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)CC1=O ZINC001172043387 905268454 /nfs/dbraw/zinc/26/84/54/905268454.db2.gz NOYLWGTUASLGBM-QFIPXVFZSA-N 2 1 383.580 3.684 20 0 GHADMP O=C1CCC[C@@]2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)N1 ZINC001172074210 905279945 /nfs/dbraw/zinc/27/99/45/905279945.db2.gz RIUXVKZSDNYBNN-KHUIQGCPSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)N1 ZINC001172074210 905279958 /nfs/dbraw/zinc/27/99/58/905279958.db2.gz RIUXVKZSDNYBNN-KHUIQGCPSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)N1 ZINC001172074210 905279977 /nfs/dbraw/zinc/27/99/77/905279977.db2.gz RIUXVKZSDNYBNN-KHUIQGCPSA-N 2 1 381.564 3.707 20 0 GHADMP CN(C)C1=NOC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172075954 905287741 /nfs/dbraw/zinc/28/77/41/905287741.db2.gz ZCJVEFJOFSJBBG-KOUNCHBCSA-N 2 1 396.579 3.702 20 0 GHADMP CN(C)C1=NOC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172075954 905287754 /nfs/dbraw/zinc/28/77/54/905287754.db2.gz ZCJVEFJOFSJBBG-KOUNCHBCSA-N 2 1 396.579 3.702 20 0 GHADMP CC(=O)N1CC[C@@H]([N@@H+](C(C)C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172083841 905295213 /nfs/dbraw/zinc/29/52/13/905295213.db2.gz SLHUFRKGRNQNDD-UEQSERJNSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@@H]([N@H+](C(C)C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172083841 905295229 /nfs/dbraw/zinc/29/52/29/905295229.db2.gz SLHUFRKGRNQNDD-UEQSERJNSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@@H]([NH+](C(C)C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172083841 905295246 /nfs/dbraw/zinc/29/52/46/905295246.db2.gz SLHUFRKGRNQNDD-UEQSERJNSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@@H]([NH+](C(C)C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172083841 905295261 /nfs/dbraw/zinc/29/52/61/905295261.db2.gz SLHUFRKGRNQNDD-UEQSERJNSA-N 2 1 383.580 3.903 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1CC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172100433 905322062 /nfs/dbraw/zinc/32/20/62/905322062.db2.gz QNLWYVWJTSRRSC-CADBVGFASA-N 2 1 377.573 3.629 20 0 GHADMP FC1(F)CCN(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069109 905338635 /nfs/dbraw/zinc/33/86/35/905338635.db2.gz ZNIMZXXIDJWUST-MZADTFQBSA-N 2 1 377.523 3.893 20 0 GHADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCC1CCOCC1 ZINC001172109077 905356624 /nfs/dbraw/zinc/35/66/24/905356624.db2.gz BXUTXUUUAQJKNG-MZADTFQBSA-N 2 1 388.552 3.606 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc31)C2 ZINC001172110807 905358988 /nfs/dbraw/zinc/35/89/88/905358988.db2.gz PKNDMPYMJVENBA-ZBYYUNFXSA-N 3 1 380.580 3.795 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CCN3CCC([NH3+])CC3)c3ccccc31)C2 ZINC001172110807 905359001 /nfs/dbraw/zinc/35/90/01/905359001.db2.gz PKNDMPYMJVENBA-ZBYYUNFXSA-N 2 1 380.580 3.795 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cc(CCN3CCC([NH3+])CC3)c3ccccc31)C2 ZINC001172110807 905359021 /nfs/dbraw/zinc/35/90/21/905359021.db2.gz PKNDMPYMJVENBA-ZBYYUNFXSA-N 2 1 380.580 3.795 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC(NC(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172115781 905367123 /nfs/dbraw/zinc/36/71/23/905367123.db2.gz ADLVZCNAKHWTIB-BWTSREIZSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COCC3CC3)CC1)C2 ZINC001172118915 905375264 /nfs/dbraw/zinc/37/52/64/905375264.db2.gz ZEMNTFSPSCXQBF-CZYKHXBRSA-N 2 1 376.585 3.547 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COCC3CC3)CC1)C2 ZINC001172118915 905375282 /nfs/dbraw/zinc/37/52/82/905375282.db2.gz ZEMNTFSPSCXQBF-CZYKHXBRSA-N 2 1 376.585 3.547 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172119812 905378771 /nfs/dbraw/zinc/37/87/71/905378771.db2.gz AUVOQPYIWOTNQB-ZBNTXBBCSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001172119812 905378791 /nfs/dbraw/zinc/37/87/91/905378791.db2.gz AUVOQPYIWOTNQB-ZBNTXBBCSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001172119812 905378810 /nfs/dbraw/zinc/37/88/10/905378810.db2.gz AUVOQPYIWOTNQB-ZBNTXBBCSA-N 2 1 381.564 3.648 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172168678 905395290 /nfs/dbraw/zinc/39/52/90/905395290.db2.gz CHVXJWTXBXVUFY-MUGJNUQGSA-N 2 1 375.944 3.565 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001172212531 905413946 /nfs/dbraw/zinc/41/39/46/905413946.db2.gz SOEGRMVANCJYRJ-SCCNAQOGSA-N 2 1 378.944 3.767 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)CC1 ZINC001172257636 905450659 /nfs/dbraw/zinc/45/06/59/905450659.db2.gz PYXXLQKIIWKMBS-UHFFFAOYSA-N 2 1 396.579 3.767 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172528785 905590281 /nfs/dbraw/zinc/59/02/81/905590281.db2.gz SLIHRNNANYPTRG-FUDKSRODSA-N 2 1 383.580 3.734 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172528785 905590297 /nfs/dbraw/zinc/59/02/97/905590297.db2.gz SLIHRNNANYPTRG-FUDKSRODSA-N 2 1 383.580 3.734 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627536629 905600081 /nfs/dbraw/zinc/60/00/81/905600081.db2.gz YYIFDBYMZUFHPM-XZOQPEGZSA-N 2 1 383.580 3.527 20 0 GHADMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539694 905643489 /nfs/dbraw/zinc/64/34/89/905643489.db2.gz DDVLUFYIOUBBJD-VSKRKVRLSA-N 2 1 394.563 3.864 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001172601883 905661619 /nfs/dbraw/zinc/66/16/19/905661619.db2.gz HDNRVEFMOADEFY-CABCVRRESA-N 2 1 384.442 3.687 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644910 905707943 /nfs/dbraw/zinc/70/79/43/905707943.db2.gz AWZLNBOHRJYMMU-WOIUINJBSA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644910 905707951 /nfs/dbraw/zinc/70/79/51/905707951.db2.gz AWZLNBOHRJYMMU-WOIUINJBSA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644910 905707959 /nfs/dbraw/zinc/70/79/59/905707959.db2.gz AWZLNBOHRJYMMU-WOIUINJBSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001172665301 905749662 /nfs/dbraw/zinc/74/96/62/905749662.db2.gz IVRQQDRIXARBCH-AGILITTLSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001172665301 905749670 /nfs/dbraw/zinc/74/96/70/905749670.db2.gz IVRQQDRIXARBCH-AGILITTLSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667584 905751613 /nfs/dbraw/zinc/75/16/13/905751613.db2.gz GRVVTEUXFYSBAK-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667584 905751621 /nfs/dbraw/zinc/75/16/21/905751621.db2.gz GRVVTEUXFYSBAK-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([NH+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C1)CC2 ZINC001172830055 905859578 /nfs/dbraw/zinc/85/95/78/905859578.db2.gz AWLWRJGUOLTEDY-ROHNOIKCSA-N 2 1 392.591 3.922 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C1)CC2 ZINC001172830055 905859588 /nfs/dbraw/zinc/85/95/88/905859588.db2.gz AWLWRJGUOLTEDY-ROHNOIKCSA-N 2 1 392.591 3.922 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C1)CC2 ZINC001172830055 905859598 /nfs/dbraw/zinc/85/95/98/905859598.db2.gz AWLWRJGUOLTEDY-ROHNOIKCSA-N 2 1 392.591 3.922 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@@H](C)Cc2c(F)cccc2Cl)c2c1CC[NH2+]C2 ZINC001172847774 905902115 /nfs/dbraw/zinc/90/21/15/905902115.db2.gz PLIDFBHZZXPFDR-AWEZNQCLSA-N 2 1 378.923 3.965 20 0 GHADMP CO[C@@H]1CCC[C@@H]([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C1 ZINC001172933936 906002160 /nfs/dbraw/zinc/00/21/60/906002160.db2.gz CCFCEQOAWWAPTO-GUDVDZBRSA-N 2 1 378.582 3.761 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172990482 906053459 /nfs/dbraw/zinc/05/34/59/906053459.db2.gz HZDINXDBXYXRBY-UHFFFAOYSA-N 2 1 395.522 3.685 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067083 906146577 /nfs/dbraw/zinc/14/65/77/906146577.db2.gz IDRMVXALUUTFBA-FUHWJXTLSA-N 2 1 388.556 3.717 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001173077063 906173173 /nfs/dbraw/zinc/17/31/73/906173173.db2.gz XURVEGNEDJUCEA-OAHLLOKOSA-N 3 1 389.506 3.992 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001173110355 906196943 /nfs/dbraw/zinc/19/69/43/906196943.db2.gz KAFLSPHHMTXZDQ-RGCMJDONSA-N 2 1 387.568 3.593 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCc3ncsc3C2)cc1 ZINC001173132470 906214735 /nfs/dbraw/zinc/21/47/35/906214735.db2.gz QZMIOKBLFOUEBB-GUDVDZBRSA-N 2 1 399.560 3.559 20 0 GHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CO2 ZINC001173162774 906248825 /nfs/dbraw/zinc/24/88/25/906248825.db2.gz YRDLNSPQCAMWRH-CVDCTZTESA-N 2 1 380.532 3.889 20 0 GHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CO2 ZINC001173162774 906248842 /nfs/dbraw/zinc/24/88/42/906248842.db2.gz YRDLNSPQCAMWRH-CVDCTZTESA-N 2 1 380.532 3.889 20 0 GHADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001173260496 906342454 /nfs/dbraw/zinc/34/24/54/906342454.db2.gz LTYQKMXNYVGQBP-BHDDXSALSA-N 2 1 377.617 3.998 20 0 GHADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+]([C@@H]1CCCC3(CCCCC3)C1)C2 ZINC001173344926 906384601 /nfs/dbraw/zinc/38/46/01/906384601.db2.gz ZUYBBDOWPLAFQV-OAQYLSRUSA-N 2 1 398.595 3.938 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173452572 906493569 /nfs/dbraw/zinc/49/35/69/906493569.db2.gz TVRACKREDBTTOO-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173452572 906493574 /nfs/dbraw/zinc/49/35/74/906493574.db2.gz TVRACKREDBTTOO-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173452572 906493582 /nfs/dbraw/zinc/49/35/82/906493582.db2.gz TVRACKREDBTTOO-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001173452572 906493588 /nfs/dbraw/zinc/49/35/88/906493588.db2.gz TVRACKREDBTTOO-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001173599842 906552160 /nfs/dbraw/zinc/55/21/60/906552160.db2.gz RNKBOWLYYSQNGP-LYOWHUEQSA-N 2 1 396.575 3.999 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632652 906583874 /nfs/dbraw/zinc/58/38/74/906583874.db2.gz MZKKQPAPHVGMEY-CWJKEVGVSA-N 2 1 388.552 3.889 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001173660489 906596840 /nfs/dbraw/zinc/59/68/40/906596840.db2.gz KVEBLPYPISUCSP-DYESRHJHSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001173660489 906596848 /nfs/dbraw/zinc/59/68/48/906596848.db2.gz KVEBLPYPISUCSP-DYESRHJHSA-N 2 1 376.516 3.844 20 0 GHADMP C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180856128 906861562 /nfs/dbraw/zinc/86/15/62/906861562.db2.gz WZHKSDZUNWKQTA-PZJWPPBQSA-N 2 1 398.595 3.603 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000629563699 906871108 /nfs/dbraw/zinc/87/11/08/906871108.db2.gz FFKLQBJVXJGOFA-RDJZCZTQSA-N 2 1 379.426 3.628 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1C(F)(F)F ZINC000629657545 906935449 /nfs/dbraw/zinc/93/54/49/906935449.db2.gz ZJBSXVWSUDMXMC-SJLPKXTDSA-N 2 1 388.437 3.985 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1C(F)(F)F ZINC000629657545 906935462 /nfs/dbraw/zinc/93/54/62/906935462.db2.gz ZJBSXVWSUDMXMC-SJLPKXTDSA-N 2 1 388.437 3.985 20 0 GHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)nc2)cc1 ZINC000629702232 906970709 /nfs/dbraw/zinc/97/07/09/906970709.db2.gz KJVWPSRAFKSXLY-UTKZUKDTSA-N 2 1 378.520 3.671 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000181809226 907083380 /nfs/dbraw/zinc/08/33/80/907083380.db2.gz ZGTYZOGNCUMJAC-WIYYLYMNSA-N 2 1 388.515 3.880 20 0 GHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182273852 907175831 /nfs/dbraw/zinc/17/58/31/907175831.db2.gz ZVZAHLQEYBRNTE-KOSHJBKYSA-N 2 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182273852 907175841 /nfs/dbraw/zinc/17/58/41/907175841.db2.gz ZVZAHLQEYBRNTE-KOSHJBKYSA-N 3 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182273852 907175847 /nfs/dbraw/zinc/17/58/47/907175847.db2.gz ZVZAHLQEYBRNTE-KOSHJBKYSA-N 3 1 390.531 3.598 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCC[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000182556636 907228790 /nfs/dbraw/zinc/22/87/90/907228790.db2.gz ITGQQGVZFQVTRV-IAGOWNOFSA-N 2 1 396.535 3.995 20 0 GHADMP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182965081 907302586 /nfs/dbraw/zinc/30/25/86/907302586.db2.gz MIIQXSDRUFOUMU-INIZCTEOSA-N 2 1 376.932 3.625 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCSC5)C4)[C@@H]3C2)cc1 ZINC000183154359 907337639 /nfs/dbraw/zinc/33/76/39/907337639.db2.gz JGNFUCXMGFATOQ-BVAFDOMYSA-N 2 1 386.605 3.931 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](c3ccccc3)c3ccc(F)cn3)CC2)nc(C)[nH+]1 ZINC000183701357 907442645 /nfs/dbraw/zinc/44/26/45/907442645.db2.gz QVKPKDQITAQNSL-HSZRJFAPSA-N 2 1 391.494 3.976 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927390 908020200 /nfs/dbraw/zinc/02/02/00/908020200.db2.gz AQKGBOHEQYNGMJ-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000632951333 908164955 /nfs/dbraw/zinc/16/49/55/908164955.db2.gz SWGJDQPUXOVUAC-RXVVDRJESA-N 2 1 380.536 3.686 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCS2 ZINC000188445872 908213176 /nfs/dbraw/zinc/21/31/76/908213176.db2.gz JPZQDYBYFLZYOS-UGKGYDQZSA-N 2 1 398.572 3.979 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH2+][C@H]1CCOC12CCOCC2)c1ccccc1 ZINC001176833190 908271067 /nfs/dbraw/zinc/27/10/67/908271067.db2.gz SPPDZMKSGARODH-ZEQRLZLVSA-N 2 1 394.559 3.830 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1csc(Cl)c1 ZINC000191275957 908604008 /nfs/dbraw/zinc/60/40/08/908604008.db2.gz MNAYLJBKIQSEBK-YOEHRIQHSA-N 2 1 391.968 3.950 20 0 GHADMP Fc1ccc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1Cl ZINC001177554429 908618002 /nfs/dbraw/zinc/61/80/02/908618002.db2.gz XJCUHKQJFFBADM-UHFFFAOYSA-N 2 1 397.325 3.829 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1c1cccs1 ZINC001177920287 908804310 /nfs/dbraw/zinc/80/43/10/908804310.db2.gz RTNQRZOMXLFLQX-GHTZIAJQSA-N 2 1 383.561 3.813 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1c1cccs1 ZINC001177920287 908804327 /nfs/dbraw/zinc/80/43/27/908804327.db2.gz RTNQRZOMXLFLQX-GHTZIAJQSA-N 2 1 383.561 3.813 20 0 GHADMP CC(C)n1c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)nc2ccccc21 ZINC001177939457 908826670 /nfs/dbraw/zinc/82/66/70/908826670.db2.gz XWMNYIUGJWMWLV-UHFFFAOYSA-N 2 1 392.547 3.864 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(Cl)cc1 ZINC000194069579 908913943 /nfs/dbraw/zinc/91/39/43/908913943.db2.gz RCAOAFVSEHUZFS-QFIPXVFZSA-N 2 1 388.939 3.774 20 0 GHADMP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000266845104 909318330 /nfs/dbraw/zinc/31/83/30/909318330.db2.gz HWFCRSRUEHXVBQ-QGZVFWFLSA-N 2 1 383.561 3.647 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268779183 910011386 /nfs/dbraw/zinc/01/13/86/910011386.db2.gz HXKYMNSDVKLBSE-HYBUGGRVSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268779183 910011407 /nfs/dbraw/zinc/01/14/07/910011407.db2.gz HXKYMNSDVKLBSE-HYBUGGRVSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000268822914 910034690 /nfs/dbraw/zinc/03/46/90/910034690.db2.gz YDCIEHIAXYDFOJ-GBXCKJPGSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268873750 910054559 /nfs/dbraw/zinc/05/45/59/910054559.db2.gz JQBFSFGKMKQTSR-CVDCTZTESA-N 2 1 395.547 3.640 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268873750 910054575 /nfs/dbraw/zinc/05/45/75/910054575.db2.gz JQBFSFGKMKQTSR-CVDCTZTESA-N 2 1 395.547 3.640 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccc(Br)cc1 ZINC000638358279 910131774 /nfs/dbraw/zinc/13/17/74/910131774.db2.gz ARGFJNZKXBICPT-QSFXBCCZSA-N 2 1 392.385 3.658 20 0 GHADMP COc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(Cl)cc1O ZINC000638523294 910170808 /nfs/dbraw/zinc/17/08/08/910170808.db2.gz GCWGMABTVUGDJE-UHFFFAOYSA-N 2 1 393.915 3.661 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1O ZINC000269343381 910226564 /nfs/dbraw/zinc/22/65/64/910226564.db2.gz KZLVCCISJFIDCP-IHWFROFDSA-N 2 1 382.504 3.695 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1O ZINC000269343381 910226579 /nfs/dbraw/zinc/22/65/79/910226579.db2.gz KZLVCCISJFIDCP-IHWFROFDSA-N 2 1 382.504 3.695 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC001274471470 910265731 /nfs/dbraw/zinc/26/57/31/910265731.db2.gz JNHLBUZINMGILD-PZJWPPBQSA-N 2 1 377.960 3.667 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1Cn1cccn1 ZINC000090586018 910411486 /nfs/dbraw/zinc/41/14/86/910411486.db2.gz DWVXGFOHVNFGQF-VQTJNVASSA-N 2 1 384.568 3.959 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1Cn1cccn1 ZINC000090586019 910411812 /nfs/dbraw/zinc/41/18/12/910411812.db2.gz DWVXGFOHVNFGQF-PMACEKPBSA-N 2 1 384.568 3.959 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001181140842 910568350 /nfs/dbraw/zinc/56/83/50/910568350.db2.gz UMWYMIIUFOLCRS-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001181140842 910568361 /nfs/dbraw/zinc/56/83/61/910568361.db2.gz UMWYMIIUFOLCRS-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001181140842 910568373 /nfs/dbraw/zinc/56/83/73/910568373.db2.gz UMWYMIIUFOLCRS-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001181223253 910647327 /nfs/dbraw/zinc/64/73/27/910647327.db2.gz PJPRGGJLVZZNBU-LEWJYISDSA-N 2 1 387.568 3.711 20 0 GHADMP c1n[nH]cc1[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778207 910658330 /nfs/dbraw/zinc/65/83/30/910658330.db2.gz QUHHVMFSMHJBPJ-SZPZYZBQSA-N 2 1 376.508 3.807 20 0 GHADMP CC(C)N(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F)C(C)(C)C[NH3+] ZINC001181346991 910741726 /nfs/dbraw/zinc/74/17/26/910741726.db2.gz NKMNABDVEPTZFG-ZWKOTPCHSA-N 2 1 395.538 3.753 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001181977158 911105890 /nfs/dbraw/zinc/10/58/90/911105890.db2.gz KNSFSNWXBWZOLG-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC001182244998 911328951 /nfs/dbraw/zinc/32/89/51/911328951.db2.gz NOJVTAQIRGAXHU-HSZRJFAPSA-N 2 1 391.490 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)c1ccccc1 ZINC001182244998 911328968 /nfs/dbraw/zinc/32/89/68/911328968.db2.gz NOJVTAQIRGAXHU-HSZRJFAPSA-N 2 1 391.490 3.991 20 0 GHADMP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001182345274 911517375 /nfs/dbraw/zinc/51/73/75/911517375.db2.gz KQBRLBXTOLWUGV-QHCPKHFHSA-N 2 1 392.547 3.692 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C[C@H]1Oc1ccccc1 ZINC001182825986 912070249 /nfs/dbraw/zinc/07/02/49/912070249.db2.gz MUJSQNANDHOMKD-MDNUFGMLSA-N 2 1 380.532 3.589 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OCc1ccncc1 ZINC000647479942 915291099 /nfs/dbraw/zinc/29/10/99/915291099.db2.gz YOIQSODVNLLEIP-NHCUHLMSSA-N 2 1 381.520 3.633 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OCc1ccncc1 ZINC000647479942 915291113 /nfs/dbraw/zinc/29/11/13/915291113.db2.gz YOIQSODVNLLEIP-NHCUHLMSSA-N 2 1 381.520 3.633 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000775135471 915423908 /nfs/dbraw/zinc/42/39/08/915423908.db2.gz XXMBAXSDNJWQOO-UHFFFAOYSA-N 2 1 382.895 3.713 20 0 GHADMP O=C(c1cc2sccc2s1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647892281 915427583 /nfs/dbraw/zinc/42/75/83/915427583.db2.gz MWMPTUVWHDRQRQ-UHFFFAOYSA-N 2 1 377.579 3.500 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000647900651 915430527 /nfs/dbraw/zinc/43/05/27/915430527.db2.gz DKPRRLLCCQDBJA-MZKRTTBSSA-N 2 1 397.588 3.808 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000648187595 915539399 /nfs/dbraw/zinc/53/93/99/915539399.db2.gz UECCBSUCWSXLFP-JOCHJYFZSA-N 2 1 377.532 3.723 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000648736329 915847029 /nfs/dbraw/zinc/84/70/29/915847029.db2.gz QOERLBFLSFCXSI-RBUKOAKNSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000648736329 915847038 /nfs/dbraw/zinc/84/70/38/915847038.db2.gz QOERLBFLSFCXSI-RBUKOAKNSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1nccn1[C@H](C)CC(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649063899 916006124 /nfs/dbraw/zinc/00/61/24/916006124.db2.gz NCJFGVFOMHJGHT-CTNGQTDRSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649063899 916006138 /nfs/dbraw/zinc/00/61/38/916006138.db2.gz NCJFGVFOMHJGHT-CTNGQTDRSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649063899 916006151 /nfs/dbraw/zinc/00/61/51/916006151.db2.gz NCJFGVFOMHJGHT-CTNGQTDRSA-N 2 1 382.552 3.908 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000649342856 916106208 /nfs/dbraw/zinc/10/62/08/916106208.db2.gz TXSOTECKVIXOKL-QHCPKHFHSA-N 2 1 391.559 3.575 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C[N@H+]1Cc1ccccc1 ZINC000775312832 916918242 /nfs/dbraw/zinc/91/82/42/916918242.db2.gz AONLYXUEVJZODD-SIKLNZKXSA-N 2 1 391.559 3.986 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1OC ZINC000650722257 917250079 /nfs/dbraw/zinc/25/00/79/917250079.db2.gz OBCJWMUNZSBQPZ-SBHAEUEKSA-N 2 1 376.541 3.735 20 0 GHADMP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000650722249 917250466 /nfs/dbraw/zinc/25/04/66/917250466.db2.gz NXAPIAHZNAWXNQ-NXHRZFHOSA-N 2 1 382.932 3.608 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000650753249 917260169 /nfs/dbraw/zinc/26/01/69/917260169.db2.gz JXBQFISPPGWHKE-HNNXBMFYSA-N 2 1 390.524 3.852 20 0 GHADMP O=C1O[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444237 917336278 /nfs/dbraw/zinc/33/62/78/917336278.db2.gz LNHMNSXVXQYPLN-LADGPHEKSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444237 917336288 /nfs/dbraw/zinc/33/62/88/917336288.db2.gz LNHMNSXVXQYPLN-LADGPHEKSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444237 917336298 /nfs/dbraw/zinc/33/62/98/917336298.db2.gz LNHMNSXVXQYPLN-LADGPHEKSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444237 917336304 /nfs/dbraw/zinc/33/63/04/917336304.db2.gz LNHMNSXVXQYPLN-LADGPHEKSA-N 2 1 391.515 3.610 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000796445337 917379763 /nfs/dbraw/zinc/37/97/63/917379763.db2.gz TVZJHLHNKDTNSO-XUZZJYLKSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445337 917379769 /nfs/dbraw/zinc/37/97/69/917379769.db2.gz TVZJHLHNKDTNSO-XUZZJYLKSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445337 917379775 /nfs/dbraw/zinc/37/97/75/917379775.db2.gz TVZJHLHNKDTNSO-XUZZJYLKSA-N 2 1 399.579 3.841 20 0 GHADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191233725 917869234 /nfs/dbraw/zinc/86/92/34/917869234.db2.gz PRCFYGGNZJNPOA-MBOZVWFJSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191233725 917869240 /nfs/dbraw/zinc/86/92/40/917869240.db2.gz PRCFYGGNZJNPOA-MBOZVWFJSA-N 2 1 377.960 3.714 20 0 GHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653617206 918360087 /nfs/dbraw/zinc/36/00/87/918360087.db2.gz JVFWXMOSTVTVDY-ICSRJNTNSA-N 2 1 381.524 3.863 20 0 GHADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000654393755 919105700 /nfs/dbraw/zinc/10/57/00/919105700.db2.gz ZPKGCXOAOLCISA-CXGRPWHSSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654446700 919131991 /nfs/dbraw/zinc/13/19/91/919131991.db2.gz SCYZTHJWLMAVLW-BVYCBKJFSA-N 2 1 384.568 3.528 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@H]3c3ccccc3)CC2)CC1 ZINC000654587406 919235044 /nfs/dbraw/zinc/23/50/44/919235044.db2.gz SMULUFBWIHKWCQ-JOCHJYFZSA-N 2 1 383.580 3.792 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000654634818 919259889 /nfs/dbraw/zinc/25/98/89/919259889.db2.gz RVCWLSFVKLEQGT-DNQXCXABSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654634818 919259896 /nfs/dbraw/zinc/25/98/96/919259896.db2.gz RVCWLSFVKLEQGT-DNQXCXABSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654634818 919259909 /nfs/dbraw/zinc/25/99/09/919259909.db2.gz RVCWLSFVKLEQGT-DNQXCXABSA-N 2 1 391.559 3.537 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000297564118 919443249 /nfs/dbraw/zinc/44/32/49/919443249.db2.gz QDLQHTADBRSFIO-GHTZIAJQSA-N 2 1 391.519 3.529 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(Br)c1O ZINC000298366463 920450766 /nfs/dbraw/zinc/45/07/66/920450766.db2.gz KJLMYLBVFHXDLP-UHFFFAOYSA-N 2 1 383.330 3.660 20 0 GHADMP CCC[C@H]([NH2+]C1CCN(C2CC2)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000298556423 920662534 /nfs/dbraw/zinc/66/25/34/920662534.db2.gz VJYUOWKLZQDKKU-QFIPXVFZSA-N 2 1 384.568 3.610 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)c(F)c1 ZINC000367281101 922015126 /nfs/dbraw/zinc/01/51/26/922015126.db2.gz SRDHJZHLSLKBEJ-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902832980 922541535 /nfs/dbraw/zinc/54/15/35/922541535.db2.gz SUPSHEDONMZLMB-OAHLLOKOSA-N 2 1 393.453 3.908 20 0 GHADMP Fc1ccccc1[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCOCC1 ZINC000903090680 922765100 /nfs/dbraw/zinc/76/51/00/922765100.db2.gz FWFJBIOWXDQFRF-NRFANRHFSA-N 2 1 376.516 3.528 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)cc1F ZINC000368614448 922773543 /nfs/dbraw/zinc/77/35/43/922773543.db2.gz NPRVHCZOQRJDLS-HNNXBMFYSA-N 2 1 376.439 3.751 20 0 GHADMP COc1cccc([C@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)CC[N@H+]2C2CC2)c1 ZINC000903146212 922807438 /nfs/dbraw/zinc/80/74/38/922807438.db2.gz DUEDAAFUINEHIX-VOOYOBANSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC[NH+]2C2CC2)c1 ZINC000903146212 922807443 /nfs/dbraw/zinc/80/74/43/922807443.db2.gz DUEDAAFUINEHIX-VOOYOBANSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@H]2[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC[NH+]2C2CC2)c1 ZINC000903146212 922807450 /nfs/dbraw/zinc/80/74/50/922807450.db2.gz DUEDAAFUINEHIX-VOOYOBANSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@H]2[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146212 922807455 /nfs/dbraw/zinc/80/74/55/922807455.db2.gz DUEDAAFUINEHIX-VOOYOBANSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@H]2[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146212 922807464 /nfs/dbraw/zinc/80/74/64/922807464.db2.gz DUEDAAFUINEHIX-VOOYOBANSA-N 2 1 381.564 3.720 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903196523 922846077 /nfs/dbraw/zinc/84/60/77/922846077.db2.gz QEOBZIKMVSMRGT-CTXDPNEZSA-N 2 1 377.573 3.771 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199834 922848539 /nfs/dbraw/zinc/84/85/39/922848539.db2.gz NHQPRYVRIJZIDA-QPPBQGQZSA-N 2 1 398.522 3.650 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000903495114 923073252 /nfs/dbraw/zinc/07/32/52/923073252.db2.gz VUBQYSPEICAFFH-GDBMZVCRSA-N 2 1 375.538 3.634 20 0 GHADMP Clc1ccc(SC2CC[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903896355 923376921 /nfs/dbraw/zinc/37/69/21/923376921.db2.gz BYLOGLPWHSQRTO-INIZCTEOSA-N 2 1 391.972 3.613 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000543807417 924270022 /nfs/dbraw/zinc/27/00/22/924270022.db2.gz LNSKRBSWVFOGFR-YOSAUDMPSA-N 2 1 383.580 3.668 20 0 GHADMP CCCN(C(=O)c1cccs1)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000370757622 924288480 /nfs/dbraw/zinc/28/84/80/924288480.db2.gz OQVJCOHWKURDAH-SFHVURJKSA-N 2 1 377.598 3.939 20 0 GHADMP CCCN(C(=O)c1cccs1)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000370757622 924288487 /nfs/dbraw/zinc/28/84/87/924288487.db2.gz OQVJCOHWKURDAH-SFHVURJKSA-N 2 1 377.598 3.939 20 0 GHADMP C(CC[NH+]1CC[C@H](C2CCOCC2)C1)CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371067094 924414163 /nfs/dbraw/zinc/41/41/63/924414163.db2.gz VLQQOOWOJGBRMN-GOTSBHOMSA-N 2 1 378.601 3.654 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000678123602 924617856 /nfs/dbraw/zinc/61/78/56/924617856.db2.gz ZDHSXOFNBPCZMC-UHFFFAOYSA-N 2 1 397.563 3.868 20 0 GHADMP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(OC(F)F)cc1C ZINC000678295863 924712079 /nfs/dbraw/zinc/71/20/79/924712079.db2.gz JVMIBKBZYPHQPE-UHFFFAOYSA-N 2 1 395.538 3.895 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4n[nH]c5ccccc54)CC3)C2)cc1 ZINC001137347540 924902939 /nfs/dbraw/zinc/90/29/39/924902939.db2.gz OPMBBPJAUFKPOU-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4[nH]nc5ccccc54)CC3)C2)cc1 ZINC001137347540 924902944 /nfs/dbraw/zinc/90/29/44/924902944.db2.gz OPMBBPJAUFKPOU-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4[nH]nc5ccccc54)CC3)C2)cc1 ZINC001137347540 924902948 /nfs/dbraw/zinc/90/29/48/924902948.db2.gz OPMBBPJAUFKPOU-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000678925363 924975775 /nfs/dbraw/zinc/97/57/75/924975775.db2.gz ZWYNQVPAIXCHCX-HSZRJFAPSA-N 2 1 386.511 3.950 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]2CCCO2)cc1 ZINC000679333758 925098236 /nfs/dbraw/zinc/09/82/36/925098236.db2.gz CRNSUWAMSOMREM-YRXWBPOGSA-N 2 1 379.342 3.886 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCCO2)cc1 ZINC000679333758 925098248 /nfs/dbraw/zinc/09/82/48/925098248.db2.gz CRNSUWAMSOMREM-YRXWBPOGSA-N 2 1 379.342 3.886 20 0 GHADMP COc1ccccc1OCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000679996822 925327421 /nfs/dbraw/zinc/32/74/21/925327421.db2.gz DOFYLPPZMOGQFH-UHFFFAOYSA-N 2 1 386.511 3.900 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000680271012 925417334 /nfs/dbraw/zinc/41/73/34/925417334.db2.gz UFNRTEUGHCGKDM-KMDXXIMOSA-N 2 1 391.559 3.779 20 0 GHADMP CCN(C)[C@@H](C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000410282575 925496993 /nfs/dbraw/zinc/49/69/93/925496993.db2.gz OXENCTRMJLMRDO-TZIWHRDSSA-N 2 1 380.536 3.618 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410336859 925539876 /nfs/dbraw/zinc/53/98/76/925539876.db2.gz JYPSNCHGMRPQOA-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CCC[C@H](C)C2)cc1 ZINC000410336859 925539883 /nfs/dbraw/zinc/53/98/83/925539883.db2.gz JYPSNCHGMRPQOA-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CCC[C@H](C)C2)cc1 ZINC000410336859 925539888 /nfs/dbraw/zinc/53/98/88/925539888.db2.gz JYPSNCHGMRPQOA-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000410345553 925555049 /nfs/dbraw/zinc/55/50/49/925555049.db2.gz BYUODELKEIKPHS-HXUWFJFHSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000410354981 925559837 /nfs/dbraw/zinc/55/98/37/925559837.db2.gz RXRMYSQSJANGIE-NFBKMPQASA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000410368924 925582625 /nfs/dbraw/zinc/58/26/25/925582625.db2.gz QHTYOJCSKAQQIX-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000410368924 925582630 /nfs/dbraw/zinc/58/26/30/925582630.db2.gz QHTYOJCSKAQQIX-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000410368924 925582646 /nfs/dbraw/zinc/58/26/46/925582646.db2.gz QHTYOJCSKAQQIX-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP Clc1ncccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001137422528 925615308 /nfs/dbraw/zinc/61/53/08/925615308.db2.gz VIEFMWJWIZGRKO-UHFFFAOYSA-N 2 1 377.941 3.664 20 0 GHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001137445746 925824510 /nfs/dbraw/zinc/82/45/10/925824510.db2.gz QVVIZPDUVCITBL-UHFFFAOYSA-N 2 1 387.568 3.896 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001137445746 925824516 /nfs/dbraw/zinc/82/45/16/925824516.db2.gz QVVIZPDUVCITBL-UHFFFAOYSA-N 2 1 387.568 3.896 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)cc1 ZINC000543813654 925834373 /nfs/dbraw/zinc/83/43/73/925834373.db2.gz HDUPOHKKDWCQLM-XMSQKQJNSA-N 2 1 379.504 3.888 20 0 GHADMP Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)c1 ZINC000373110593 925866275 /nfs/dbraw/zinc/86/62/75/925866275.db2.gz DXVBDYBBPAJOQX-GOSISDBHSA-N 2 1 384.524 3.683 20 0 GHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411311393 926296953 /nfs/dbraw/zinc/29/69/53/926296953.db2.gz QQQUEWVCAHMPBC-QTEQDKRBSA-N 2 1 397.588 3.902 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411311393 926296961 /nfs/dbraw/zinc/29/69/61/926296961.db2.gz QQQUEWVCAHMPBC-QTEQDKRBSA-N 2 1 397.588 3.902 20 0 GHADMP CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000411470538 926427984 /nfs/dbraw/zinc/42/79/84/926427984.db2.gz CIWRTKMLUSDULL-JOCHJYFZSA-N 2 1 386.561 3.548 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3=Cc4ccccc4OC3)CC2)CC1 ZINC000374282860 926976273 /nfs/dbraw/zinc/97/62/73/926976273.db2.gz HMXGTONCIPRMSP-UHFFFAOYSA-N 2 1 383.580 3.591 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1=Cc2ccccc2OC1 ZINC000374282860 926976285 /nfs/dbraw/zinc/97/62/85/926976285.db2.gz HMXGTONCIPRMSP-UHFFFAOYSA-N 3 1 383.580 3.591 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1=Cc2ccccc2OC1 ZINC000374282860 926976298 /nfs/dbraw/zinc/97/62/98/926976298.db2.gz HMXGTONCIPRMSP-UHFFFAOYSA-N 3 1 383.580 3.591 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000750670977 927788965 /nfs/dbraw/zinc/78/89/65/927788965.db2.gz ZOEBVAWXPCFZDN-OALUTQOASA-N 2 1 382.552 3.766 20 0 GHADMP CCc1cccc(CC)c1NC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000751010532 927980273 /nfs/dbraw/zinc/98/02/73/927980273.db2.gz IIMASCZPWKZWSW-FQEVSTJZSA-N 2 1 390.641 3.856 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(-c2ccc(C)cc2)c1 ZINC000467260692 928883934 /nfs/dbraw/zinc/88/39/34/928883934.db2.gz OGNPFOWXGQODTF-HSZRJFAPSA-N 2 1 394.563 3.545 20 0 GHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000467378033 929016808 /nfs/dbraw/zinc/01/68/08/929016808.db2.gz SKFSQVDXNOAGAA-DYESRHJHSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000467378033 929016822 /nfs/dbraw/zinc/01/68/22/929016822.db2.gz SKFSQVDXNOAGAA-DYESRHJHSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000467412052 929045696 /nfs/dbraw/zinc/04/56/96/929045696.db2.gz GKTPFPUXRZWVDY-AUUYWEPGSA-N 2 1 380.891 3.804 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000467838627 929490286 /nfs/dbraw/zinc/49/02/86/929490286.db2.gz JPBMODXGUWEPLC-SIKLNZKXSA-N 2 1 397.563 3.733 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000753746182 929513918 /nfs/dbraw/zinc/51/39/18/929513918.db2.gz ADQCMVZYSVMHRX-AZUAARDMSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753765915 929524774 /nfs/dbraw/zinc/52/47/74/929524774.db2.gz DKTWSLXWXISJPT-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469511262 929954744 /nfs/dbraw/zinc/95/47/44/929954744.db2.gz YVVKCIKPEQKHOL-HSZRJFAPSA-N 2 1 386.499 3.642 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]12 ZINC000469882387 930233247 /nfs/dbraw/zinc/23/32/47/930233247.db2.gz RFNNZWMVPYDFJR-DAXOMENPSA-N 2 1 378.339 3.742 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000470236060 930475560 /nfs/dbraw/zinc/47/55/60/930475560.db2.gz CLZXGZXDSNXSAN-YKSBVNFPSA-N 2 1 397.607 3.520 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000781423401 930840472 /nfs/dbraw/zinc/84/04/72/930840472.db2.gz PTGNIZLQLOETEB-GMQQQROESA-N 2 1 386.486 3.889 20 0 GHADMP CN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470735859 930868821 /nfs/dbraw/zinc/86/88/21/930868821.db2.gz DNNVYXITIZGDHV-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000557183002 931252783 /nfs/dbraw/zinc/25/27/83/931252783.db2.gz AKZKMNXGKAUQLN-HSZRJFAPSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nc(Br)ccc1F ZINC000924704878 931480781 /nfs/dbraw/zinc/48/07/81/931480781.db2.gz UXUJERQSPXWRMM-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000924948628 931592656 /nfs/dbraw/zinc/59/26/56/931592656.db2.gz DYFADUOICGSJQE-YRGVVPAESA-N 2 1 376.545 3.594 20 0 GHADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000925089478 931640932 /nfs/dbraw/zinc/64/09/32/931640932.db2.gz JVJTZECOFMJYSY-GNUPYSACSA-N 2 1 397.485 3.735 20 0 GHADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000925089478 931640933 /nfs/dbraw/zinc/64/09/33/931640933.db2.gz JVJTZECOFMJYSY-GNUPYSACSA-N 2 1 397.485 3.735 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000557762348 931666487 /nfs/dbraw/zinc/66/64/87/931666487.db2.gz OCBAZHIMLMPSBO-QFIPXVFZSA-N 2 1 398.551 3.580 20 0 GHADMP C[C@H](NC1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1)c1ccccc1 ZINC000925518747 931810354 /nfs/dbraw/zinc/81/03/54/931810354.db2.gz ZNLXDZZANPWNES-WWPVKYPJSA-N 2 1 385.596 3.644 20 0 GHADMP COc1ccc([C@H]2CCCC[C@H]2[N@@H+]2CCc3sc(C[NH3+])nc3C2)cc1F ZINC000925749187 931892150 /nfs/dbraw/zinc/89/21/50/931892150.db2.gz VEJFPAMHNNVVKB-RHSMWYFYSA-N 2 1 375.513 3.834 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H](CO)C(C)C)cc1 ZINC000558314723 931936842 /nfs/dbraw/zinc/93/68/42/931936842.db2.gz BARGUCAIDIYJNW-HSZRJFAPSA-N 2 1 394.519 3.603 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000784573766 931944155 /nfs/dbraw/zinc/94/41/55/931944155.db2.gz YBGFUTRBPOZBMM-GOSISDBHSA-N 2 1 391.519 3.908 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000777582784 932009287 /nfs/dbraw/zinc/00/92/87/932009287.db2.gz HXOJWYRTAVPABM-HXUWFJFHSA-N 2 1 394.563 3.879 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)[C@@H]2C1 ZINC000926437279 932181439 /nfs/dbraw/zinc/18/14/39/932181439.db2.gz UMALYFRFXJNKCZ-GAYHPWFNSA-N 2 1 395.591 3.809 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3COCc4cccc(Cl)c43)cc2)CC1 ZINC000798182877 932554480 /nfs/dbraw/zinc/55/44/80/932554480.db2.gz KXKYZLPOPXXSGO-NRFANRHFSA-N 2 1 386.923 3.658 20 0 GHADMP COCc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000559330802 932605792 /nfs/dbraw/zinc/60/57/92/932605792.db2.gz QZEUMKGCDXIGQD-DEOSSOPVSA-N 2 1 394.559 3.851 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348940 932607408 /nfs/dbraw/zinc/60/74/08/932607408.db2.gz JKDOPXPBTPXJIF-ISKFKSNPSA-N 2 1 394.563 3.501 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935053 932823016 /nfs/dbraw/zinc/82/30/16/932823016.db2.gz KKXDMVUPTQSUED-OEMFJLHTSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935053 932823020 /nfs/dbraw/zinc/82/30/20/932823020.db2.gz KKXDMVUPTQSUED-OEMFJLHTSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000798935053 932823022 /nfs/dbraw/zinc/82/30/22/932823022.db2.gz KKXDMVUPTQSUED-OEMFJLHTSA-N 2 1 387.612 3.625 20 0 GHADMP COc1cccc([C@H](C)[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000559773972 932846303 /nfs/dbraw/zinc/84/63/03/932846303.db2.gz KFLAVOBLHCYRLN-REWPJTCUSA-N 2 1 379.548 3.648 20 0 GHADMP COc1cccc([C@H](C)[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000559773972 932846310 /nfs/dbraw/zinc/84/63/10/932846310.db2.gz KFLAVOBLHCYRLN-REWPJTCUSA-N 2 1 379.548 3.648 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178748 932898955 /nfs/dbraw/zinc/89/89/55/932898955.db2.gz IEJAYXWTLZSAFM-GOSISDBHSA-N 2 1 383.536 3.760 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@H](C(=O)NCc3ccccc3)c3ccccc3)C2)CC1 ZINC000799177516 932899069 /nfs/dbraw/zinc/89/90/69/932899069.db2.gz TVMLNBQXFIDZEU-QHCPKHFHSA-N 2 1 391.559 3.852 20 0 GHADMP C[C@@H](OC[C@@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178692 932899437 /nfs/dbraw/zinc/89/94/37/932899437.db2.gz DDOONTXFWKZTAM-XLIONFOSSA-N 2 1 380.960 3.586 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)CC1 ZINC000799178305 932900137 /nfs/dbraw/zinc/90/01/37/932900137.db2.gz RRSRXVDKVYYFCT-GOSISDBHSA-N 2 1 396.362 3.907 20 0 GHADMP Cc1ccc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(OCC[NH+](C)C)c1 ZINC000777694439 933018668 /nfs/dbraw/zinc/01/86/68/933018668.db2.gz CHLWIHOJWMKRRR-RDPSFJRHSA-N 2 1 397.563 3.637 20 0 GHADMP Cc1ccc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(OCC[NH+](C)C)c1 ZINC000777694439 933018674 /nfs/dbraw/zinc/01/86/74/933018674.db2.gz CHLWIHOJWMKRRR-RDPSFJRHSA-N 2 1 397.563 3.637 20 0 GHADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000560056584 933041012 /nfs/dbraw/zinc/04/10/12/933041012.db2.gz XFEBUXQGVSOZFZ-UGKGYDQZSA-N 2 1 385.596 3.681 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)cc2)CC1 ZINC000560269019 933174480 /nfs/dbraw/zinc/17/44/80/933174480.db2.gz CBLLWIWQXQXCOM-XMMPIXPASA-N 2 1 388.515 3.829 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001116003923 933277511 /nfs/dbraw/zinc/27/75/11/933277511.db2.gz COSXKJHTXDZABJ-QHCPKHFHSA-N 2 1 398.595 3.597 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001116003923 933277519 /nfs/dbraw/zinc/27/75/19/933277519.db2.gz COSXKJHTXDZABJ-QHCPKHFHSA-N 2 1 398.595 3.597 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001116375981 933519010 /nfs/dbraw/zinc/51/90/10/933519010.db2.gz OIBALGKCIMHYJB-NHCUHLMSSA-N 2 1 390.547 3.526 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000561081297 933844539 /nfs/dbraw/zinc/84/45/39/933844539.db2.gz BEGNPIJSNBQGII-QHCPKHFHSA-N 2 1 379.548 3.667 20 0 GHADMP CC[N@H+](CCCC1CC[NH+]([C@H](C)c2ncccn2)CC1)[C@@H](C)c1ncccn1 ZINC000930142513 933857554 /nfs/dbraw/zinc/85/75/54/933857554.db2.gz KCWUQFRIPARRPD-RBUKOAKNSA-N 2 1 382.556 3.903 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+]([C@H](C)c2ncccn2)CC1)[C@@H](C)c1ncccn1 ZINC000930142513 933857567 /nfs/dbraw/zinc/85/75/67/933857567.db2.gz KCWUQFRIPARRPD-RBUKOAKNSA-N 2 1 382.556 3.903 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000561160276 933925841 /nfs/dbraw/zinc/92/58/41/933925841.db2.gz CCOZDTRAGDIRJY-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000561160276 933925849 /nfs/dbraw/zinc/92/58/49/933925849.db2.gz CCOZDTRAGDIRJY-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000561160276 933925856 /nfs/dbraw/zinc/92/58/56/933925856.db2.gz CCOZDTRAGDIRJY-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP C[NH+]1CCC2(CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)CC2)CC1 ZINC001118988690 934298058 /nfs/dbraw/zinc/29/80/58/934298058.db2.gz WDJOTEVPQOKRTF-FQEVSTJZSA-N 2 1 398.595 3.828 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C)C1=CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000561651038 934337482 /nfs/dbraw/zinc/33/74/82/934337482.db2.gz FAXQOCQOWLKCTM-OXJNMPFZSA-N 2 1 392.975 3.673 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000561651038 934337491 /nfs/dbraw/zinc/33/74/91/934337491.db2.gz FAXQOCQOWLKCTM-OXJNMPFZSA-N 2 1 392.975 3.673 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000561651038 934337495 /nfs/dbraw/zinc/33/74/95/934337495.db2.gz FAXQOCQOWLKCTM-OXJNMPFZSA-N 2 1 392.975 3.673 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931430407 934552863 /nfs/dbraw/zinc/55/28/63/934552863.db2.gz BEHOTYWHXMAESE-FRRDWIJNSA-N 2 1 389.849 3.569 20 0 GHADMP Cc1ccc(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)c2ccccc12 ZINC001138015400 935929080 /nfs/dbraw/zinc/92/90/80/935929080.db2.gz DKRDNZYOFNMSEB-UHFFFAOYSA-N 2 1 392.547 3.829 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)C1 ZINC001625849880 1014228906 /nfs/dbraw/zinc/22/89/06/1014228906.db2.gz PNEDPHZVHICYHW-SIKLNZKXSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001625849880 1014228911 /nfs/dbraw/zinc/22/89/11/1014228911.db2.gz PNEDPHZVHICYHW-SIKLNZKXSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001625849880 1014228915 /nfs/dbraw/zinc/22/89/15/1014228915.db2.gz PNEDPHZVHICYHW-SIKLNZKXSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001625849880 1014228928 /nfs/dbraw/zinc/22/89/28/1014228928.db2.gz PNEDPHZVHICYHW-SIKLNZKXSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001625849880 1014228934 /nfs/dbraw/zinc/22/89/34/1014228934.db2.gz PNEDPHZVHICYHW-SIKLNZKXSA-N 2 1 389.559 3.809 20 0 GHADMP Cc1ccc(Cl)cc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910524 1014572759 /nfs/dbraw/zinc/57/27/59/1014572759.db2.gz FPSYRPNCXRMLHR-IBGZPJMESA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccc(Cl)cc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910524 1014572772 /nfs/dbraw/zinc/57/27/72/1014572772.db2.gz FPSYRPNCXRMLHR-IBGZPJMESA-N 2 1 394.906 3.887 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@@H](C)C1 ZINC000468391483 1015658926 /nfs/dbraw/zinc/65/89/26/1015658926.db2.gz FARPPTQQFKLTKB-GAJHUEQPSA-N 2 1 384.568 3.719 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@@H](C)C1 ZINC000468391483 1015658935 /nfs/dbraw/zinc/65/89/35/1015658935.db2.gz FARPPTQQFKLTKB-GAJHUEQPSA-N 2 1 384.568 3.719 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@@H](C)C1 ZINC000468391483 1015658937 /nfs/dbraw/zinc/65/89/37/1015658937.db2.gz FARPPTQQFKLTKB-GAJHUEQPSA-N 2 1 384.568 3.719 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@@H](C)C1 ZINC000468391483 1015658942 /nfs/dbraw/zinc/65/89/42/1015658942.db2.gz FARPPTQQFKLTKB-GAJHUEQPSA-N 2 1 384.568 3.719 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)C1CCCCC1 ZINC000545310036 1015762414 /nfs/dbraw/zinc/76/24/14/1015762414.db2.gz SEDOPHQGXOZAAX-GOSISDBHSA-N 2 1 377.598 3.731 20 0 GHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000545310036 1015762422 /nfs/dbraw/zinc/76/24/22/1015762422.db2.gz SEDOPHQGXOZAAX-GOSISDBHSA-N 2 1 377.598 3.731 20 0 GHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCCCC1 ZINC000545310036 1015762428 /nfs/dbraw/zinc/76/24/28/1015762428.db2.gz SEDOPHQGXOZAAX-GOSISDBHSA-N 2 1 377.598 3.731 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000468894935 1016180508 /nfs/dbraw/zinc/18/05/08/1016180508.db2.gz IKNPGYQJUNLLOF-MOPGFXCFSA-N 2 1 384.568 3.536 20 0 GHADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)[NH+](CC)CC ZINC000468951944 1016264570 /nfs/dbraw/zinc/26/45/70/1016264570.db2.gz KGRXKKQPPXKYKZ-NRFANRHFSA-N 2 1 398.551 3.543 20 0 GHADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000546563795 1016674785 /nfs/dbraw/zinc/67/47/85/1016674785.db2.gz JTPVGORTPZAUAQ-IBGZPJMESA-N 2 1 380.410 3.654 20 0 GHADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000546563795 1016674789 /nfs/dbraw/zinc/67/47/89/1016674789.db2.gz JTPVGORTPZAUAQ-IBGZPJMESA-N 2 1 380.410 3.654 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC001220883022 1032172341 /nfs/dbraw/zinc/17/23/41/1032172341.db2.gz GHOPOEPBOBTYOT-WMZHIEFXSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001220883022 1032172350 /nfs/dbraw/zinc/17/23/50/1032172350.db2.gz GHOPOEPBOBTYOT-WMZHIEFXSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001220883022 1032172359 /nfs/dbraw/zinc/17/23/59/1032172359.db2.gz GHOPOEPBOBTYOT-WMZHIEFXSA-N 2 1 398.595 3.735 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001221063326 1032262361 /nfs/dbraw/zinc/26/23/61/1032262361.db2.gz RVJFZDPTXBFMKG-VJBWXMMDSA-N 2 1 377.532 3.508 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1 ZINC001221063514 1032263242 /nfs/dbraw/zinc/26/32/42/1032263242.db2.gz YIHGWQGFIZFJOB-VABKMULXSA-N 2 1 377.532 3.651 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCC[NH+]1CCCCC1 ZINC001461004672 1069330388 /nfs/dbraw/zinc/33/03/88/1069330388.db2.gz HYYQYRKFIBWCGO-UHFFFAOYSA-N 2 1 391.357 3.909 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC001221435454 1032414785 /nfs/dbraw/zinc/41/47/85/1032414785.db2.gz QVRNWOZPPKFSDH-SJBKTWHCSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001221435454 1032414792 /nfs/dbraw/zinc/41/47/92/1032414792.db2.gz QVRNWOZPPKFSDH-SJBKTWHCSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001221435454 1032414800 /nfs/dbraw/zinc/41/48/00/1032414800.db2.gz QVRNWOZPPKFSDH-SJBKTWHCSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001221443663 1032417795 /nfs/dbraw/zinc/41/77/95/1032417795.db2.gz GZMJUYXOSVJLJQ-PZJWPPBQSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001221443663 1032417807 /nfs/dbraw/zinc/41/78/07/1032417807.db2.gz GZMJUYXOSVJLJQ-PZJWPPBQSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001221443663 1032417809 /nfs/dbraw/zinc/41/78/09/1032417809.db2.gz GZMJUYXOSVJLJQ-PZJWPPBQSA-N 2 1 392.632 3.841 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001221445330 1032418915 /nfs/dbraw/zinc/41/89/15/1032418915.db2.gz FYMSEOVYEZPAEI-NHCUHLMSSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001221464743 1032426523 /nfs/dbraw/zinc/42/65/23/1032426523.db2.gz LDTKLRPZZBEMHI-SBHAEUEKSA-N 2 1 392.632 3.839 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001221508539 1032441075 /nfs/dbraw/zinc/44/10/75/1032441075.db2.gz BZEFLMFNZWAVSC-NRFANRHFSA-N 2 1 386.584 3.594 20 0 GHADMP C[N@H+]1CCCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001221509110 1032441870 /nfs/dbraw/zinc/44/18/70/1032441870.db2.gz UKOVDPMLXONIJS-JOCHJYFZSA-N 2 1 386.584 3.594 20 0 GHADMP CCC[C@H]1CN(C(=O)NC2CC[NH+](CCC)CC2)CC[N@H+]1Cc1ccccc1 ZINC001227638437 1032496985 /nfs/dbraw/zinc/49/69/85/1032496985.db2.gz BQZDESBKFKJZTL-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncc1Cl ZINC001155358024 1032517311 /nfs/dbraw/zinc/51/73/11/1032517311.db2.gz MNWBGDWTSFCSJD-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP CCc1cc(Cl)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155361862 1032519012 /nfs/dbraw/zinc/51/90/12/1032519012.db2.gz OHKPYCGTQMIHSC-SFHVURJKSA-N 2 1 399.970 3.606 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC001227861761 1032652230 /nfs/dbraw/zinc/65/22/30/1032652230.db2.gz BYQIJSGAHSSWGD-OAQYLSRUSA-N 2 1 386.584 3.591 20 0 GHADMP CCS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000926908915 1017324191 /nfs/dbraw/zinc/32/41/91/1017324191.db2.gz LYXJIKINAGIGSX-RXVVDRJESA-N 2 1 392.609 3.655 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)C1 ZINC000559896194 1017512652 /nfs/dbraw/zinc/51/26/52/1017512652.db2.gz QMTQZTGEGOWFQQ-GKJHBJHPSA-N 2 1 392.609 3.610 20 0 GHADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204264962 1032707215 /nfs/dbraw/zinc/70/72/15/1032707215.db2.gz ZFRPDZRENQSMOB-UHFFFAOYSA-N 2 1 398.547 3.973 20 0 GHADMP CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204263426 1032707815 /nfs/dbraw/zinc/70/78/15/1032707815.db2.gz LMNSRPPJUGYMPU-QFIPXVFZSA-N 2 1 376.541 3.572 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001204271114 1032715382 /nfs/dbraw/zinc/71/53/82/1032715382.db2.gz DZVAYFVRORUOAO-IBGZPJMESA-N 2 1 376.541 3.571 20 0 GHADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)cc1 ZINC000933550346 1018878221 /nfs/dbraw/zinc/87/82/21/1018878221.db2.gz OUSZJHOVSGRTQU-JOCHJYFZSA-N 2 1 384.564 3.802 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1C ZINC001204354874 1032792347 /nfs/dbraw/zinc/79/23/47/1032792347.db2.gz PRMFOORCOBZCEU-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221640 1018923062 /nfs/dbraw/zinc/92/30/62/1018923062.db2.gz QXJVRYVPJIGPDC-WZONZLPQSA-N 2 1 387.568 3.744 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c4OCCCO5)C[C@H]3C2)cc1 ZINC000565140976 1019168137 /nfs/dbraw/zinc/16/81/37/1019168137.db2.gz CNDSSBUJFDNUJS-RBBKRZOGSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c4OCCCO5)C[C@H]3C2)cc1 ZINC000565140976 1019168145 /nfs/dbraw/zinc/16/81/45/1019168145.db2.gz CNDSSBUJFDNUJS-RBBKRZOGSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCCO5)C[C@H]3C2)cc1 ZINC000565140976 1019168154 /nfs/dbraw/zinc/16/81/54/1019168154.db2.gz CNDSSBUJFDNUJS-RBBKRZOGSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCCO5)C[C@H]3C2)cc1 ZINC000565140976 1019168161 /nfs/dbraw/zinc/16/81/61/1019168161.db2.gz CNDSSBUJFDNUJS-RBBKRZOGSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c4OCCCO5)C[C@@H]3C2)cc1 ZINC000565140977 1019168712 /nfs/dbraw/zinc/16/87/12/1019168712.db2.gz CNDSSBUJFDNUJS-UNMCSNQZSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c4OCCCO5)C[C@@H]3C2)cc1 ZINC000565140977 1019168718 /nfs/dbraw/zinc/16/87/18/1019168718.db2.gz CNDSSBUJFDNUJS-UNMCSNQZSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCCO5)C[C@@H]3C2)cc1 ZINC000565140977 1019168727 /nfs/dbraw/zinc/16/87/27/1019168727.db2.gz CNDSSBUJFDNUJS-UNMCSNQZSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCCO5)C[C@@H]3C2)cc1 ZINC000565140977 1019168736 /nfs/dbraw/zinc/16/87/36/1019168736.db2.gz CNDSSBUJFDNUJS-UNMCSNQZSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCCCO5)C[C@H]3C2)cc1 ZINC000565140974 1019168823 /nfs/dbraw/zinc/16/88/23/1019168823.db2.gz CNDSSBUJFDNUJS-IFMALSPDSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c4OCCCO5)C[C@H]3C2)cc1 ZINC000565140974 1019168830 /nfs/dbraw/zinc/16/88/30/1019168830.db2.gz CNDSSBUJFDNUJS-IFMALSPDSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCCO5)C[C@H]3C2)cc1 ZINC000565140974 1019168835 /nfs/dbraw/zinc/16/88/35/1019168835.db2.gz CNDSSBUJFDNUJS-IFMALSPDSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCCO5)C[C@H]3C2)cc1 ZINC000565140974 1019168842 /nfs/dbraw/zinc/16/88/42/1019168842.db2.gz CNDSSBUJFDNUJS-IFMALSPDSA-N 2 1 378.516 3.802 20 0 GHADMP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)sc1-c1ccccc1 ZINC000567364539 1019285526 /nfs/dbraw/zinc/28/55/26/1019285526.db2.gz MURGHBMFEIWJMJ-UHFFFAOYSA-N 2 1 385.577 3.822 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3NC(C)C)CC2)CC1 ZINC000568528376 1019416867 /nfs/dbraw/zinc/41/68/67/1019416867.db2.gz CQEANTIAWAKNNL-UHFFFAOYSA-N 2 1 390.547 3.781 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000569352587 1019479464 /nfs/dbraw/zinc/47/94/64/1019479464.db2.gz WASVATHCEYJYIX-QKNQBKEWSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000569352587 1019479470 /nfs/dbraw/zinc/47/94/70/1019479470.db2.gz WASVATHCEYJYIX-QKNQBKEWSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000569352588 1019480030 /nfs/dbraw/zinc/48/00/30/1019480030.db2.gz WASVATHCEYJYIX-SBHAEUEKSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000569352588 1019480035 /nfs/dbraw/zinc/48/00/35/1019480035.db2.gz WASVATHCEYJYIX-SBHAEUEKSA-N 2 1 388.577 3.777 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[NH+](CC)CC)cc1 ZINC000571576654 1019687987 /nfs/dbraw/zinc/68/79/87/1019687987.db2.gz OSIVZGNLWFRBQV-RBBKRZOGSA-N 2 1 382.552 3.516 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572166011 1019747031 /nfs/dbraw/zinc/74/70/31/1019747031.db2.gz YCOFUGOTLKNGKW-LPHOPBHVSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572166011 1019747047 /nfs/dbraw/zinc/74/70/47/1019747047.db2.gz YCOFUGOTLKNGKW-LPHOPBHVSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000575154229 1019927824 /nfs/dbraw/zinc/92/78/24/1019927824.db2.gz BISWHEVXOCITQE-YPGOJHLTSA-N 2 1 378.520 3.568 20 0 GHADMP COc1ccc([C@H](C[NH3+])CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000578196782 1020340020 /nfs/dbraw/zinc/34/00/20/1020340020.db2.gz SXARDDRJDHCOHS-PTUXOGIPSA-N 2 1 381.564 3.722 20 0 GHADMP Cc1cnccc1CC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000578763904 1020359945 /nfs/dbraw/zinc/35/99/45/1020359945.db2.gz QFCXULCERZRNJL-UHFFFAOYSA-N 2 1 389.297 3.687 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000579593567 1020425200 /nfs/dbraw/zinc/42/52/00/1020425200.db2.gz UIRDHPZDOYVPNM-KRWDZBQOSA-N 2 1 386.458 3.552 20 0 GHADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000627524169 1020566899 /nfs/dbraw/zinc/56/68/99/1020566899.db2.gz BQSQWNGOTZTJBI-WLRLJWMZSA-N 2 1 397.588 3.515 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000779437804 1020787840 /nfs/dbraw/zinc/78/78/40/1020787840.db2.gz VAQQTUAPWLIHEO-WJMWBRGCSA-N 2 1 387.568 3.932 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439874 1020791470 /nfs/dbraw/zinc/79/14/70/1020791470.db2.gz YVVNJWSKWYBOAE-UCKMRUJXSA-N 2 1 376.544 3.996 20 0 GHADMP c1ccc2c(c1)CCC[NH+](CC1(C[N@H+]3CCCc4ccccc4C3)COC1)C2 ZINC000630343244 1020813313 /nfs/dbraw/zinc/81/33/13/1020813313.db2.gz HPFPMNFHOJXLJH-UHFFFAOYSA-N 2 1 376.544 3.900 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000631109916 1020861418 /nfs/dbraw/zinc/86/14/18/1020861418.db2.gz IKNROZMIAHNGPE-FQEVSTJZSA-N 2 1 378.438 3.648 20 0 GHADMP Fc1cc(Br)ccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204551454 1032965428 /nfs/dbraw/zinc/96/54/28/1032965428.db2.gz NPSMGOLMPXFDED-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc(N2CCCC2)[nH+]1 ZINC001156313826 1032975353 /nfs/dbraw/zinc/97/53/53/1032975353.db2.gz CUNHQSYVRUCUTL-NJDAHSKKSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH+]1 ZINC001156313826 1032975356 /nfs/dbraw/zinc/97/53/56/1032975356.db2.gz CUNHQSYVRUCUTL-NJDAHSKKSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH+]1 ZINC001156313826 1032975357 /nfs/dbraw/zinc/97/53/57/1032975357.db2.gz CUNHQSYVRUCUTL-NJDAHSKKSA-N 2 1 377.536 3.708 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(-c5cncnc5)cc4)C[C@H]3C2)c1 ZINC001140353158 1021477190 /nfs/dbraw/zinc/47/71/90/1021477190.db2.gz ZUNIRFQPRQDJHS-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(-c5cncnc5)cc4)C[C@H]3C2)c1 ZINC001140353158 1021477194 /nfs/dbraw/zinc/47/71/94/1021477194.db2.gz ZUNIRFQPRQDJHS-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(-c5cncnc5)cc4)C[C@H]3C2)c1 ZINC001140353158 1021477206 /nfs/dbraw/zinc/47/72/06/1021477206.db2.gz ZUNIRFQPRQDJHS-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(-c5cncnc5)cc4)C[C@H]3C2)c1 ZINC001140353158 1021477214 /nfs/dbraw/zinc/47/72/14/1021477214.db2.gz ZUNIRFQPRQDJHS-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001140387831 1021543221 /nfs/dbraw/zinc/54/32/21/1021543221.db2.gz UXMCNTBNQAXRTR-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001140387831 1021543230 /nfs/dbraw/zinc/54/32/30/1021543230.db2.gz UXMCNTBNQAXRTR-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001140387831 1021543236 /nfs/dbraw/zinc/54/32/36/1021543236.db2.gz UXMCNTBNQAXRTR-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4n[nH]cc4c3)C[C@@H]21 ZINC001140387831 1021543245 /nfs/dbraw/zinc/54/32/45/1021543245.db2.gz UXMCNTBNQAXRTR-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140407715 1021587338 /nfs/dbraw/zinc/58/73/38/1021587338.db2.gz XGYQACXYWHVMFO-WBVHZDCISA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140407715 1021587352 /nfs/dbraw/zinc/58/73/52/1021587352.db2.gz XGYQACXYWHVMFO-WBVHZDCISA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140407715 1021587370 /nfs/dbraw/zinc/58/73/70/1021587370.db2.gz XGYQACXYWHVMFO-WBVHZDCISA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000676761630 1021764497 /nfs/dbraw/zinc/76/44/97/1021764497.db2.gz XVRNTCWQKIGXSQ-UHFFFAOYSA-N 2 1 393.575 3.925 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4C[C@@]4(C[NH+](C)C)C3)c2c1C ZINC001156393896 1033016067 /nfs/dbraw/zinc/01/60/67/1033016067.db2.gz APFZNTSIUUMXKE-VGOFRKELSA-N 2 1 399.608 3.682 20 0 GHADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000679544171 1022012365 /nfs/dbraw/zinc/01/23/65/1022012365.db2.gz GRRUXHIZNNIYCC-QFBILLFUSA-N 2 1 397.485 3.561 20 0 GHADMP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000679544171 1022012382 /nfs/dbraw/zinc/01/23/82/1022012382.db2.gz GRRUXHIZNNIYCC-QFBILLFUSA-N 2 1 397.485 3.561 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(C)c1 ZINC001140674244 1022229468 /nfs/dbraw/zinc/22/94/68/1022229468.db2.gz OJLZOYSSIPNQEF-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001140709649 1022333085 /nfs/dbraw/zinc/33/30/85/1022333085.db2.gz ISGGGCJITIJURC-YPMHNXCESA-N 2 1 377.248 3.851 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001140709649 1022333103 /nfs/dbraw/zinc/33/31/03/1022333103.db2.gz ISGGGCJITIJURC-YPMHNXCESA-N 2 1 377.248 3.851 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001140709649 1022333122 /nfs/dbraw/zinc/33/31/22/1022333122.db2.gz ISGGGCJITIJURC-YPMHNXCESA-N 2 1 377.248 3.851 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001140709649 1022333137 /nfs/dbraw/zinc/33/31/37/1022333137.db2.gz ISGGGCJITIJURC-YPMHNXCESA-N 2 1 377.248 3.851 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001140709649 1022333155 /nfs/dbraw/zinc/33/31/55/1022333155.db2.gz ISGGGCJITIJURC-YPMHNXCESA-N 2 1 377.248 3.851 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]2CF)CC1 ZINC001140801029 1022568283 /nfs/dbraw/zinc/56/82/83/1022568283.db2.gz FPDMURWDMFJWQM-YOEHRIQHSA-N 2 1 388.487 3.638 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]2CF)CC1 ZINC001140801029 1022568290 /nfs/dbraw/zinc/56/82/90/1022568290.db2.gz FPDMURWDMFJWQM-YOEHRIQHSA-N 2 1 388.487 3.638 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001140803349 1022573717 /nfs/dbraw/zinc/57/37/17/1022573717.db2.gz OSABBSLHPDKWAG-GOTSBHOMSA-N 2 1 392.503 3.546 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001140803349 1022573732 /nfs/dbraw/zinc/57/37/32/1022573732.db2.gz OSABBSLHPDKWAG-GOTSBHOMSA-N 2 1 392.503 3.546 20 0 GHADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CCO1 ZINC001204756322 1033069224 /nfs/dbraw/zinc/06/92/24/1033069224.db2.gz NJIFBENCLWHMQX-LJQANCHMSA-N 2 1 380.410 3.802 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001140971266 1023042586 /nfs/dbraw/zinc/04/25/86/1023042586.db2.gz NPAMFQPJRQVASC-QHCPKHFHSA-N 2 1 399.966 3.839 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001140971266 1023042595 /nfs/dbraw/zinc/04/25/95/1023042595.db2.gz NPAMFQPJRQVASC-QHCPKHFHSA-N 2 1 399.966 3.839 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756093946 1023519308 /nfs/dbraw/zinc/51/93/08/1023519308.db2.gz HHZRNLAXOOAFEP-IRXDYDNUSA-N 2 1 376.545 3.886 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(I)c2)CC1 ZINC001138225786 1024406921 /nfs/dbraw/zinc/40/69/21/1024406921.db2.gz MLLLKOXDAAFJFP-UHFFFAOYSA-N 2 1 386.321 3.843 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(-n4cccc4C[NH3+])c23)C1 ZINC001156730297 1033210680 /nfs/dbraw/zinc/21/06/80/1033210680.db2.gz HYCWUEAHYDTILF-CQSZACIVSA-N 2 1 381.549 3.661 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276595 1024528495 /nfs/dbraw/zinc/52/84/95/1024528495.db2.gz OFBZRKIKPTUGAA-BETUJISGSA-N 2 1 384.471 3.551 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276595 1024528513 /nfs/dbraw/zinc/52/85/13/1024528513.db2.gz OFBZRKIKPTUGAA-BETUJISGSA-N 2 1 384.471 3.551 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276595 1024528529 /nfs/dbraw/zinc/52/85/29/1024528529.db2.gz OFBZRKIKPTUGAA-BETUJISGSA-N 2 1 384.471 3.551 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276595 1024528540 /nfs/dbraw/zinc/52/85/40/1024528540.db2.gz OFBZRKIKPTUGAA-BETUJISGSA-N 2 1 384.471 3.551 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5nccnc45)CC3)C2)c1 ZINC001138301113 1024589889 /nfs/dbraw/zinc/58/98/89/1024589889.db2.gz CVZGSPVUQVSOEX-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5nccnc45)CC3)C2)c1 ZINC001138301113 1024589895 /nfs/dbraw/zinc/58/98/95/1024589895.db2.gz CVZGSPVUQVSOEX-UHFFFAOYSA-N 2 1 394.544 3.558 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001138371835 1024736372 /nfs/dbraw/zinc/73/63/72/1024736372.db2.gz XCGWFJHXRKTJDV-LJQANCHMSA-N 2 1 388.483 3.683 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)cc1 ZINC001138549407 1024995618 /nfs/dbraw/zinc/99/56/18/1024995618.db2.gz OOKKEYJEJPBKKN-QFIPXVFZSA-N 2 1 392.528 3.871 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)cc1 ZINC001138549407 1024995622 /nfs/dbraw/zinc/99/56/22/1024995622.db2.gz OOKKEYJEJPBKKN-QFIPXVFZSA-N 2 1 392.528 3.871 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738808 1025275960 /nfs/dbraw/zinc/27/59/60/1025275960.db2.gz DCRRPIVLBUKWGP-BAGYTPMASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738808 1025275977 /nfs/dbraw/zinc/27/59/77/1025275977.db2.gz DCRRPIVLBUKWGP-BAGYTPMASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738808 1025275991 /nfs/dbraw/zinc/27/59/91/1025275991.db2.gz DCRRPIVLBUKWGP-BAGYTPMASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738808 1025276004 /nfs/dbraw/zinc/27/60/04/1025276004.db2.gz DCRRPIVLBUKWGP-BAGYTPMASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738810 1025276972 /nfs/dbraw/zinc/27/69/72/1025276972.db2.gz DCRRPIVLBUKWGP-ILWGZMRPSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738810 1025276983 /nfs/dbraw/zinc/27/69/83/1025276983.db2.gz DCRRPIVLBUKWGP-ILWGZMRPSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738810 1025276991 /nfs/dbraw/zinc/27/69/91/1025276991.db2.gz DCRRPIVLBUKWGP-ILWGZMRPSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4[nH]ccc4c3)C[C@@H]21 ZINC001138738810 1025276999 /nfs/dbraw/zinc/27/69/99/1025276999.db2.gz DCRRPIVLBUKWGP-ILWGZMRPSA-N 2 1 375.520 3.690 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](c2ccccc2)C1 ZINC001138772349 1025341328 /nfs/dbraw/zinc/34/13/28/1025341328.db2.gz ZYQJPXAQZCEEKK-GMAHTHKFSA-N 2 1 396.531 3.753 20 0 GHADMP COC[C@@H](C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccc(OC)c1 ZINC001138773208 1025343374 /nfs/dbraw/zinc/34/33/74/1025343374.db2.gz WECKZSAOPFXGQC-LJQANCHMSA-N 2 1 386.536 3.673 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000838904447 1025429836 /nfs/dbraw/zinc/42/98/36/1025429836.db2.gz JZZDIQIWCHKYIM-UHFFFAOYSA-N 2 1 387.568 3.854 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000838918138 1025443396 /nfs/dbraw/zinc/44/33/96/1025443396.db2.gz AYCDHXQRJHBSQT-HXUWFJFHSA-N 2 1 399.579 3.888 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](c2cccc(Cl)c2)N(C)C)CC1 ZINC001141544508 1025451454 /nfs/dbraw/zinc/45/14/54/1025451454.db2.gz QFJQPAQINZUBKN-QFIPXVFZSA-N 2 1 399.966 3.986 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1ccc3c(c1)[nH+]cn3[C@H]1CCC[NH2+]CC1)C(=O)N2 ZINC001162565542 1025798325 /nfs/dbraw/zinc/79/83/25/1025798325.db2.gz IFVGIIPASVATIG-KKSFZXQISA-N 2 1 375.476 3.765 20 0 GHADMP c1c2ccccc2oc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001139063559 1025861119 /nfs/dbraw/zinc/86/11/19/1025861119.db2.gz XCPXUOTWUGICLS-UHFFFAOYSA-N 2 1 391.515 3.942 20 0 GHADMP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139081910 1025896904 /nfs/dbraw/zinc/89/69/04/1025896904.db2.gz XJJAZXJJPPTOKW-UHFFFAOYSA-N 2 1 397.567 3.509 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001162800732 1025920861 /nfs/dbraw/zinc/92/08/61/1025920861.db2.gz DHGONBBJKWKIRI-JFIYKMOQSA-N 2 1 391.544 3.606 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC001162881026 1025952146 /nfs/dbraw/zinc/95/21/46/1025952146.db2.gz SOFMLARKVOJTEL-LLBVYWAGSA-N 2 1 380.536 3.665 20 0 GHADMP CC(C)(C)c1ncc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cn1 ZINC001162940214 1025976363 /nfs/dbraw/zinc/97/63/63/1025976363.db2.gz CHHJFNDDQWDVLX-FQEVSTJZSA-N 2 1 393.579 3.688 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(F)c4ccccc34)cc2)CC1 ZINC001461052091 1069362899 /nfs/dbraw/zinc/36/28/99/1069362899.db2.gz KVJWCIPCWFRQPV-UHFFFAOYSA-N 2 1 391.490 3.656 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(NCC4([NH3+])CCC4)c23)C1 ZINC001163328680 1026147222 /nfs/dbraw/zinc/14/72/22/1026147222.db2.gz ZXCZAYZXPPDOTC-CQSZACIVSA-N 2 1 385.581 3.705 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001139333342 1026192446 /nfs/dbraw/zinc/19/24/46/1026192446.db2.gz QDRIOXKHEJBOCD-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001139333342 1026192453 /nfs/dbraw/zinc/19/24/53/1026192453.db2.gz QDRIOXKHEJBOCD-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001139333342 1026192461 /nfs/dbraw/zinc/19/24/61/1026192461.db2.gz QDRIOXKHEJBOCD-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1nc(Cl)nc2c1C[N@H+](C1CC1)CC2 ZINC001163898246 1026353617 /nfs/dbraw/zinc/35/36/17/1026353617.db2.gz VCCHJOAAJVLDCA-UHFFFAOYSA-N 2 1 388.302 3.707 20 0 GHADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)O ZINC001139513188 1026368378 /nfs/dbraw/zinc/36/83/78/1026368378.db2.gz OADAJOMPXPWSPH-UHFFFAOYSA-N 2 1 381.564 3.602 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3CCc4ncccc4C3)CC2)cc1 ZINC001139513230 1026368681 /nfs/dbraw/zinc/36/86/81/1026368681.db2.gz PHEOLLSKESABTM-UHFFFAOYSA-N 2 1 398.554 3.962 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCc4ncccc4C3)CC2)cc1 ZINC001139513230 1026368692 /nfs/dbraw/zinc/36/86/92/1026368692.db2.gz PHEOLLSKESABTM-UHFFFAOYSA-N 2 1 398.554 3.962 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001139515541 1026373612 /nfs/dbraw/zinc/37/36/12/1026373612.db2.gz QWJQMKRDSXYVMA-OAQYLSRUSA-N 2 1 379.548 3.620 20 0 GHADMP C[NH+](C)C1(CNc2ccc(OCCCc3ccccn3)cc2)CC[NH+](C)CC1 ZINC001164212815 1026454543 /nfs/dbraw/zinc/45/45/43/1026454543.db2.gz FBQGQLHZWODGEV-UHFFFAOYSA-N 2 1 382.552 3.531 20 0 GHADMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164474903 1026520993 /nfs/dbraw/zinc/52/09/93/1026520993.db2.gz WUUKEWGTCDXQEG-CVEARBPZSA-N 2 1 399.608 3.730 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CCC([C@H]5CCC[NH2+]5)CC4)ccc3C2)cc1 ZINC001165106318 1026609926 /nfs/dbraw/zinc/60/99/26/1026609926.db2.gz CMZPGEWMFLHQJH-JOCHJYFZSA-N 2 1 376.548 3.608 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CC(C)([NH+](C)C)C3)n2)CCC4)CC1 ZINC001165120462 1026616650 /nfs/dbraw/zinc/61/66/50/1026616650.db2.gz KFOMTVGOGADENZ-UHFFFAOYSA-N 2 1 399.608 3.552 20 0 GHADMP COc1ccc(-c2ncc(C[NH+]3CCN(c4cc[nH+]c(C)c4)CC3)s2)cc1 ZINC001139795470 1026619477 /nfs/dbraw/zinc/61/94/77/1026619477.db2.gz CTCCSMGQLNEPCV-UHFFFAOYSA-N 2 1 380.517 3.844 20 0 GHADMP Cn1ncc2ccc(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc21 ZINC001139906365 1026721134 /nfs/dbraw/zinc/72/11/34/1026721134.db2.gz IPXMMMPBDVGGLY-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP COc1cc2[nH+]c(NCC3C[NH+](Cc4ccccc4)C3)ccc2c(OC)c1OC ZINC001165443170 1026729129 /nfs/dbraw/zinc/72/91/29/1026729129.db2.gz WZKFYLOJFRELQY-UHFFFAOYSA-N 2 1 393.487 3.805 20 0 GHADMP Clc1ncnc2[nH]cc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c21 ZINC001139943448 1026750416 /nfs/dbraw/zinc/75/04/16/1026750416.db2.gz BXQXIJMRGCWENV-ROUUACIJSA-N 2 1 395.938 3.907 20 0 GHADMP Clc1ncnc2[nH]cc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)c21 ZINC001139943448 1026750425 /nfs/dbraw/zinc/75/04/25/1026750425.db2.gz BXQXIJMRGCWENV-ROUUACIJSA-N 2 1 395.938 3.907 20 0 GHADMP Clc1ncnc2[nH]cc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c21 ZINC001139943448 1026750436 /nfs/dbraw/zinc/75/04/36/1026750436.db2.gz BXQXIJMRGCWENV-ROUUACIJSA-N 2 1 395.938 3.907 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001140024988 1026811219 /nfs/dbraw/zinc/81/12/19/1026811219.db2.gz JXKKSQRNYMTQIR-ISKFKSNPSA-N 2 1 395.547 3.836 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001140025169 1026812072 /nfs/dbraw/zinc/81/20/72/1026812072.db2.gz NAIZNLPVYJKSKR-YMPZKCBVSA-N 2 1 381.520 3.729 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000834439281 1026992332 /nfs/dbraw/zinc/99/23/32/1026992332.db2.gz ZSKAGAVKNYHQEQ-UHFFFAOYSA-N 2 1 377.532 3.534 20 0 GHADMP CC[N@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167037333 1027211813 /nfs/dbraw/zinc/21/18/13/1027211813.db2.gz BIDFKTAWHMRLGT-PGRDOPGGSA-N 2 1 399.966 3.941 20 0 GHADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167037333 1027211830 /nfs/dbraw/zinc/21/18/30/1027211830.db2.gz BIDFKTAWHMRLGT-PGRDOPGGSA-N 2 1 399.966 3.941 20 0 GHADMP CC[NH+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167037333 1027211840 /nfs/dbraw/zinc/21/18/40/1027211840.db2.gz BIDFKTAWHMRLGT-PGRDOPGGSA-N 2 1 399.966 3.941 20 0 GHADMP CC[NH+](Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167037333 1027211854 /nfs/dbraw/zinc/21/18/54/1027211854.db2.gz BIDFKTAWHMRLGT-PGRDOPGGSA-N 2 1 399.966 3.941 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)cc1 ZINC001203308277 1027268719 /nfs/dbraw/zinc/26/87/19/1027268719.db2.gz DMZLETMEZPIMIK-NOZRDPDXSA-N 2 1 391.559 3.832 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)cc1 ZINC001203308277 1027268732 /nfs/dbraw/zinc/26/87/32/1027268732.db2.gz DMZLETMEZPIMIK-NOZRDPDXSA-N 2 1 391.559 3.832 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)cc1 ZINC001203308277 1027268751 /nfs/dbraw/zinc/26/87/51/1027268751.db2.gz DMZLETMEZPIMIK-NOZRDPDXSA-N 2 1 391.559 3.832 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001461235073 1069455364 /nfs/dbraw/zinc/45/53/64/1069455364.db2.gz PWNSWXZLHKNRBW-NHCUHLMSSA-N 2 1 392.465 3.764 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001461235073 1069455367 /nfs/dbraw/zinc/45/53/67/1069455367.db2.gz PWNSWXZLHKNRBW-NHCUHLMSSA-N 2 1 392.465 3.764 20 0 GHADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001210712188 1027616890 /nfs/dbraw/zinc/61/68/90/1027616890.db2.gz DHQOYILNYARNOO-IBGZPJMESA-N 2 1 396.535 3.796 20 0 GHADMP Cc1nccn1C[C@H](C)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001210806386 1027657988 /nfs/dbraw/zinc/65/79/88/1027657988.db2.gz DLLKNEQWQLDTIP-IYWMVGAKSA-N 2 1 397.567 3.521 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001210806386 1027657999 /nfs/dbraw/zinc/65/79/99/1027657999.db2.gz DLLKNEQWQLDTIP-IYWMVGAKSA-N 2 1 397.567 3.521 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1O ZINC001203867619 1027671361 /nfs/dbraw/zinc/67/13/61/1027671361.db2.gz GNPNVOXYOVRUDK-NRFANRHFSA-N 2 1 396.531 3.656 20 0 GHADMP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1OCC[NH+](C)C ZINC001141971754 1027778368 /nfs/dbraw/zinc/77/83/68/1027778368.db2.gz QJBRMRBQPCHXSX-OAQYLSRUSA-N 2 1 395.547 3.786 20 0 GHADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC001211244132 1027854063 /nfs/dbraw/zinc/85/40/63/1027854063.db2.gz DFXCFNOPVCLPBC-IFMALSPDSA-N 2 1 388.600 3.563 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1OCc1ccc(F)cc1 ZINC001204089775 1027867575 /nfs/dbraw/zinc/86/75/75/1027867575.db2.gz QOOCNDHSOVZVEM-SESVDKBCSA-N 2 1 384.495 3.843 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032051 1028056779 /nfs/dbraw/zinc/05/67/79/1028056779.db2.gz IGEQKRPLVIOUJP-UHFFFAOYSA-N 2 1 386.902 3.823 20 0 GHADMP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC001213545085 1028254583 /nfs/dbraw/zinc/25/45/83/1028254583.db2.gz HNBNWSQKBCLKEN-UHFFFAOYSA-N 2 1 391.519 3.744 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(c2)OCCCO4)CC3)co1 ZINC001142262547 1028518276 /nfs/dbraw/zinc/51/82/76/1028518276.db2.gz HPPMPPOKPKJCAM-UHFFFAOYSA-N 2 1 382.504 3.929 20 0 GHADMP CCO[C@@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C[NH+](C)C ZINC001214367775 1028697554 /nfs/dbraw/zinc/69/75/54/1028697554.db2.gz HHGXPDVGVJHCLD-FQEVSTJZSA-N 2 1 390.572 3.539 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4nn(C)cc43)C[C@H]21 ZINC001142455857 1028956212 /nfs/dbraw/zinc/95/62/12/1028956212.db2.gz ABWPTQVKZSHAQW-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[N@@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001142455857 1028956218 /nfs/dbraw/zinc/95/62/18/1028956218.db2.gz ABWPTQVKZSHAQW-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[N@H+]2C[C@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001142455857 1028956222 /nfs/dbraw/zinc/95/62/22/1028956222.db2.gz ABWPTQVKZSHAQW-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2C[C@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001142455857 1028956226 /nfs/dbraw/zinc/95/62/26/1028956226.db2.gz ABWPTQVKZSHAQW-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2C[C@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001142455857 1028956234 /nfs/dbraw/zinc/95/62/34/1028956234.db2.gz ABWPTQVKZSHAQW-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@@H]21 ZINC001142686891 1029269526 /nfs/dbraw/zinc/26/95/26/1029269526.db2.gz KFOQTOMKHZVQJE-PIPMEXSNSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@@H]21 ZINC001142686891 1029269538 /nfs/dbraw/zinc/26/95/38/1029269538.db2.gz KFOQTOMKHZVQJE-PIPMEXSNSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4[nH]cnc43)C[C@@H]21 ZINC001142686891 1029269553 /nfs/dbraw/zinc/26/95/53/1029269553.db2.gz KFOQTOMKHZVQJE-PIPMEXSNSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4[nH]cnc43)C[C@@H]21 ZINC001142686891 1029269565 /nfs/dbraw/zinc/26/95/65/1029269565.db2.gz KFOQTOMKHZVQJE-PIPMEXSNSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000842672921 1029477810 /nfs/dbraw/zinc/47/78/10/1029477810.db2.gz GUHREQIVKCQYOY-HXUWFJFHSA-N 2 1 378.520 3.990 20 0 GHADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000184731070 1029596880 /nfs/dbraw/zinc/59/68/80/1029596880.db2.gz MDTHMYJLEZXJMW-LJQANCHMSA-N 2 1 390.572 3.712 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@H]21 ZINC001142881137 1029630689 /nfs/dbraw/zinc/63/06/89/1029630689.db2.gz OPQFDXLZTCQNPE-MTNREXPMSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccnc4[nH]ccc43)C[C@H]21 ZINC001142881137 1029630691 /nfs/dbraw/zinc/63/06/91/1029630691.db2.gz OPQFDXLZTCQNPE-MTNREXPMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccnc4[nH]ccc43)C[C@H]21 ZINC001142881137 1029630697 /nfs/dbraw/zinc/63/06/97/1029630697.db2.gz OPQFDXLZTCQNPE-MTNREXPMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnc4[nH]ccc43)C[C@H]21 ZINC001142881137 1029630706 /nfs/dbraw/zinc/63/07/06/1029630706.db2.gz OPQFDXLZTCQNPE-MTNREXPMSA-N 2 1 375.520 3.690 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142910700 1029675784 /nfs/dbraw/zinc/67/57/84/1029675784.db2.gz KKRDYBCGSHNPDZ-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142910700 1029675787 /nfs/dbraw/zinc/67/57/87/1029675787.db2.gz KKRDYBCGSHNPDZ-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142910700 1029675792 /nfs/dbraw/zinc/67/57/92/1029675792.db2.gz KKRDYBCGSHNPDZ-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142910700 1029675796 /nfs/dbraw/zinc/67/57/96/1029675796.db2.gz KKRDYBCGSHNPDZ-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000843125340 1029816792 /nfs/dbraw/zinc/81/67/92/1029816792.db2.gz SOLWUVRVBBNGJT-OLZOCXBDSA-N 2 1 380.355 3.880 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c(Cl)nc21 ZINC000843127715 1029817675 /nfs/dbraw/zinc/81/76/75/1029817675.db2.gz SRICXXKDIRQISX-CVEARBPZSA-N 2 1 375.948 3.877 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1scc3c1OCCO3)CC2 ZINC001143185620 1029889450 /nfs/dbraw/zinc/88/94/50/1029889450.db2.gz LKSHKBDCJFGBQA-LJQANCHMSA-N 2 1 388.533 3.989 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC001461590916 1069626996 /nfs/dbraw/zinc/62/69/96/1069626996.db2.gz UZQJXGQYNWVYTI-RTWAWAEBSA-N 2 1 378.495 3.755 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001461590916 1069626997 /nfs/dbraw/zinc/62/69/97/1069626997.db2.gz UZQJXGQYNWVYTI-RTWAWAEBSA-N 2 1 378.495 3.755 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001221946498 1029902140 /nfs/dbraw/zinc/90/21/40/1029902140.db2.gz WLSBTWXEGVLFQY-GJJHYRHESA-N 2 1 394.991 3.608 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC001221946498 1029902151 /nfs/dbraw/zinc/90/21/51/1029902151.db2.gz WLSBTWXEGVLFQY-GJJHYRHESA-N 2 1 394.991 3.608 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c2c1 ZINC001143237090 1029935334 /nfs/dbraw/zinc/93/53/34/1029935334.db2.gz DPKSGVFFTAHOTB-NHCUHLMSSA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)c2c1 ZINC001143238686 1029936320 /nfs/dbraw/zinc/93/63/20/1029936320.db2.gz DDRQARMWIAHZPP-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2c1 ZINC001143238686 1029936328 /nfs/dbraw/zinc/93/63/28/1029936328.db2.gz DDRQARMWIAHZPP-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001143238686 1029936335 /nfs/dbraw/zinc/93/63/35/1029936335.db2.gz DDRQARMWIAHZPP-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COc1cc2c(cc1NC(=O)C[NH+]1CCC3(CC[NH2+]C3)CC1)oc1ccccc12 ZINC000843387552 1029957060 /nfs/dbraw/zinc/95/70/60/1029957060.db2.gz SCBCINLYCHXQMU-UHFFFAOYSA-N 2 1 393.487 3.609 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)cc2)nc1 ZINC001222181341 1029990554 /nfs/dbraw/zinc/99/05/54/1029990554.db2.gz CAOSPKRVVLWPHD-UHFFFAOYSA-N 2 1 391.437 3.722 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC001222313775 1030064238 /nfs/dbraw/zinc/06/42/38/1030064238.db2.gz FWKCJOZORCRJQZ-RKVPGOIHSA-N 2 1 399.366 3.522 20 0 GHADMP Cc1ccc(I)cc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321212 1030069243 /nfs/dbraw/zinc/06/92/43/1030069243.db2.gz RZIVIALAKYUIBU-KRWDZBQOSA-N 2 1 384.305 3.708 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321212 1030069259 /nfs/dbraw/zinc/06/92/59/1030069259.db2.gz RZIVIALAKYUIBU-KRWDZBQOSA-N 2 1 384.305 3.708 20 0 GHADMP Cc1c(I)cccc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321477 1030069705 /nfs/dbraw/zinc/06/97/05/1030069705.db2.gz XDSLRHKVEXJTGJ-KRWDZBQOSA-N 2 1 384.305 3.708 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222321477 1030069719 /nfs/dbraw/zinc/06/97/19/1030069719.db2.gz XDSLRHKVEXJTGJ-KRWDZBQOSA-N 2 1 384.305 3.708 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407477 1030112902 /nfs/dbraw/zinc/11/29/02/1030112902.db2.gz JBLVVQHJNKLNKA-UHFFFAOYSA-N 2 1 390.531 3.512 20 0 GHADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(Br)cc2N2CCCCC2)CC1 ZINC001222538415 1030187303 /nfs/dbraw/zinc/18/73/03/1030187303.db2.gz MQQUVJWBIBHMIW-UHFFFAOYSA-N 2 1 384.337 3.702 20 0 GHADMP c1cc2ccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)nc2[nH]1 ZINC001222582992 1030212145 /nfs/dbraw/zinc/21/21/45/1030212145.db2.gz JJWBSQHAAKHNDD-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP Cc1nc(F)ccc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591605 1030217974 /nfs/dbraw/zinc/21/79/74/1030217974.db2.gz XADMTRYBJXUZTO-NRFANRHFSA-N 2 1 383.511 3.833 20 0 GHADMP Cc1nc(F)ccc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591605 1030217991 /nfs/dbraw/zinc/21/79/91/1030217991.db2.gz XADMTRYBJXUZTO-NRFANRHFSA-N 2 1 383.511 3.833 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC001222620434 1030243486 /nfs/dbraw/zinc/24/34/86/1030243486.db2.gz RWYAFRPLIJAFRK-MAUKXSAKSA-N 2 1 377.410 3.831 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC001222620434 1030243494 /nfs/dbraw/zinc/24/34/94/1030243494.db2.gz RWYAFRPLIJAFRK-MAUKXSAKSA-N 2 1 377.410 3.831 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC001150921778 1030709975 /nfs/dbraw/zinc/70/99/75/1030709975.db2.gz YUHMDNZWOXNLAW-CRAIPNDOSA-N 2 1 386.367 3.833 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3cc(F)ccc3n1C1CC[NH2+]CC1)C2 ZINC001218318381 1030890891 /nfs/dbraw/zinc/89/08/91/1030890891.db2.gz VCVJPNSFQOGWIG-BWTSREIZSA-N 2 1 386.515 3.883 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218849319 1031114313 /nfs/dbraw/zinc/11/43/13/1031114313.db2.gz SYOFIHDRTRSYTC-QFIPXVFZSA-N 2 1 385.511 3.959 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218849319 1031114325 /nfs/dbraw/zinc/11/43/25/1031114325.db2.gz SYOFIHDRTRSYTC-QFIPXVFZSA-N 2 1 385.511 3.959 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)C1 ZINC001218938616 1031163635 /nfs/dbraw/zinc/16/36/35/1031163635.db2.gz UNQMAOSQVSCMAB-JOCHJYFZSA-N 2 1 377.532 3.534 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)C1([NH3+])Cc2ccccc2C1)C1CCCCC1 ZINC001219023462 1031216716 /nfs/dbraw/zinc/21/67/16/1031216716.db2.gz DJMIHLSLMDQEMC-UHFFFAOYSA-N 2 1 377.532 3.886 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001225272315 1031327637 /nfs/dbraw/zinc/32/76/37/1031327637.db2.gz IAVJOTWZWGZLBC-NZQKXSOJSA-N 2 1 394.563 3.514 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001225272315 1031327658 /nfs/dbraw/zinc/32/76/58/1031327658.db2.gz IAVJOTWZWGZLBC-NZQKXSOJSA-N 2 1 394.563 3.514 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001220524800 1031976832 /nfs/dbraw/zinc/97/68/32/1031976832.db2.gz QNJCBHHHEOFJML-ZCNNSNEGSA-N 2 1 388.600 3.694 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001220524800 1031976838 /nfs/dbraw/zinc/97/68/38/1031976838.db2.gz QNJCBHHHEOFJML-ZCNNSNEGSA-N 2 1 388.600 3.694 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001220524800 1031976842 /nfs/dbraw/zinc/97/68/42/1031976842.db2.gz QNJCBHHHEOFJML-ZCNNSNEGSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC001220634465 1032034453 /nfs/dbraw/zinc/03/44/53/1032034453.db2.gz WWGXZEGWZCXCLD-DENIHFKCSA-N 2 1 388.600 3.519 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001156965183 1033346011 /nfs/dbraw/zinc/34/60/11/1033346011.db2.gz SMBONBYOPLCCBS-CTNGQTDRSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001156965183 1033346025 /nfs/dbraw/zinc/34/60/25/1033346025.db2.gz SMBONBYOPLCCBS-CTNGQTDRSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001156965183 1033346042 /nfs/dbraw/zinc/34/60/42/1033346042.db2.gz SMBONBYOPLCCBS-CTNGQTDRSA-N 2 1 399.579 3.687 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001156969835 1033348355 /nfs/dbraw/zinc/34/83/55/1033348355.db2.gz HWXWFDDCBSFHLC-UHFFFAOYSA-N 2 1 379.548 3.667 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001156969835 1033348369 /nfs/dbraw/zinc/34/83/69/1033348369.db2.gz HWXWFDDCBSFHLC-UHFFFAOYSA-N 2 1 379.548 3.667 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC001203379390 1033395699 /nfs/dbraw/zinc/39/56/99/1033395699.db2.gz QJRGLFNXYUUJJG-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1Br ZINC001205639035 1033506908 /nfs/dbraw/zinc/50/69/08/1033506908.db2.gz VBJGYBCYZPWDEZ-YPMHNXCESA-N 2 1 375.738 3.918 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(OC(F)F)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205651280 1033511555 /nfs/dbraw/zinc/51/15/55/1033511555.db2.gz CCEAXVNFRVPNRJ-VXGBXAGGSA-N 2 1 377.273 3.857 20 0 GHADMP CC[C@@H](C)[C@H](C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OC ZINC001205702440 1033538266 /nfs/dbraw/zinc/53/82/66/1033538266.db2.gz GMZJUNTZLKPKPO-IERDGZPVSA-N 2 1 377.573 3.664 20 0 GHADMP CC[C@@H](C)[C@H](C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OC ZINC001205702440 1033538274 /nfs/dbraw/zinc/53/82/74/1033538274.db2.gz GMZJUNTZLKPKPO-IERDGZPVSA-N 2 1 377.573 3.664 20 0 GHADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C1 ZINC001205726135 1033549044 /nfs/dbraw/zinc/54/90/44/1033549044.db2.gz OZVMRAOSDSWUTN-HXUWFJFHSA-N 2 1 394.437 3.928 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)s2)cc1OC ZINC001206011797 1033685733 /nfs/dbraw/zinc/68/57/33/1033685733.db2.gz GOTMWIWNKYMITF-GDBMZVCRSA-N 2 1 375.538 3.634 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CCC[C@H]1C[NH3+] ZINC001206035703 1033695989 /nfs/dbraw/zinc/69/59/89/1033695989.db2.gz CTSKLBAUWNZCGZ-PXNSSMCTSA-N 2 1 382.504 3.801 20 0 GHADMP CCC[NH+]1C[C@@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@H]2C1 ZINC001157698013 1033727499 /nfs/dbraw/zinc/72/74/99/1033727499.db2.gz AMQPHIDJOFFDFE-QZTJIDSGSA-N 2 1 399.608 3.682 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206598010 1033919133 /nfs/dbraw/zinc/91/91/33/1033919133.db2.gz HHDZYELBYHXIMG-MRXNPFEDSA-N 2 1 383.330 3.588 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206598010 1033919136 /nfs/dbraw/zinc/91/91/36/1033919136.db2.gz HHDZYELBYHXIMG-MRXNPFEDSA-N 2 1 383.330 3.588 20 0 GHADMP c1ccc(OCC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001206716556 1033955880 /nfs/dbraw/zinc/95/58/80/1033955880.db2.gz DUMIIJITMAKMSG-UHFFFAOYSA-N 2 1 380.532 3.810 20 0 GHADMP COc1cccc(CC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC001206727320 1033958930 /nfs/dbraw/zinc/95/89/30/1033958930.db2.gz FAMUNFLCGJBTDG-UHFFFAOYSA-N 2 1 394.559 3.982 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(OCc2ccccc2)cc1OC ZINC001206772130 1033977464 /nfs/dbraw/zinc/97/74/64/1033977464.db2.gz YMVDAILNEBBSGN-PKOBYXMFSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)c(OCc2ccccc2)cc1OC ZINC001206772130 1033977475 /nfs/dbraw/zinc/97/74/75/1033977475.db2.gz YMVDAILNEBBSGN-PKOBYXMFSA-N 2 1 384.520 3.842 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)[NH+](CC)CC)cc1 ZINC001230300651 1033985425 /nfs/dbraw/zinc/98/54/25/1033985425.db2.gz YCBAPBVDXNIJHH-AGHHOFFYSA-N 2 1 386.584 3.556 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c(F)cncc1F)CC2 ZINC001206857968 1034036408 /nfs/dbraw/zinc/03/64/08/1034036408.db2.gz IZSNVNRKUXDWDD-SFHVURJKSA-N 2 1 387.474 3.615 20 0 GHADMP CCn1ccnc1C[NH+]1CCC(OC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207148453 1034128634 /nfs/dbraw/zinc/12/86/34/1034128634.db2.gz USPRYDBJKIMQMG-UHFFFAOYSA-N 2 1 382.552 3.549 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207187924 1034157677 /nfs/dbraw/zinc/15/76/77/1034157677.db2.gz QYQJOCNVAFOUNV-UHFFFAOYSA-N 2 1 388.556 3.576 20 0 GHADMP [NH3+][C@H](C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc2ccccc2c1 ZINC001158567397 1034158579 /nfs/dbraw/zinc/15/85/79/1034158579.db2.gz HUSSPUMIARUZMT-DSITVLBTSA-N 2 1 399.538 3.963 20 0 GHADMP [NH3+][C@H](C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc2ccccc2c1 ZINC001158567397 1034158585 /nfs/dbraw/zinc/15/85/85/1034158585.db2.gz HUSSPUMIARUZMT-DSITVLBTSA-N 2 1 399.538 3.963 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001207216565 1034183404 /nfs/dbraw/zinc/18/34/04/1034183404.db2.gz QSOVGMNONFSBRK-LJQANCHMSA-N 2 1 399.579 3.766 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001207216565 1034183414 /nfs/dbraw/zinc/18/34/14/1034183414.db2.gz QSOVGMNONFSBRK-LJQANCHMSA-N 2 1 399.579 3.766 20 0 GHADMP [NH3+]Cc1ccc2c(n1)N(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)CCC2 ZINC001158649455 1034214738 /nfs/dbraw/zinc/21/47/38/1034214738.db2.gz LBPUMFSGNQQURI-UHFFFAOYSA-N 2 1 385.515 3.578 20 0 GHADMP CC(C)C[N@@H+](C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001207253014 1034216268 /nfs/dbraw/zinc/21/62/68/1034216268.db2.gz VSVXENQJDQUJOX-LJQANCHMSA-N 2 1 397.604 3.658 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCc4ncnc(C5CC5)c4CC3)CC2)cc1 ZINC001207290628 1034241683 /nfs/dbraw/zinc/24/16/83/1034241683.db2.gz GMSHHFRSGGOLKU-UHFFFAOYSA-N 2 1 376.548 3.667 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207295562 1034248440 /nfs/dbraw/zinc/24/84/40/1034248440.db2.gz UVGWSRQHFPHMFL-OAQYLSRUSA-N 2 1 391.559 3.745 20 0 GHADMP Clc1cccc(CCC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207589201 1034467627 /nfs/dbraw/zinc/46/76/27/1034467627.db2.gz GLTZCKHWHIYNMR-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP Clc1cccc(CCC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207589201 1034467633 /nfs/dbraw/zinc/46/76/33/1034467633.db2.gz GLTZCKHWHIYNMR-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP Clc1cccc(CCC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207589201 1034467638 /nfs/dbraw/zinc/46/76/38/1034467638.db2.gz GLTZCKHWHIYNMR-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCCc3ccc(Cl)cc3)C2)C1 ZINC001207595822 1034473396 /nfs/dbraw/zinc/47/33/96/1034473396.db2.gz MTBBFPXXXPXYCJ-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC001207595822 1034473408 /nfs/dbraw/zinc/47/34/08/1034473408.db2.gz MTBBFPXXXPXYCJ-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC001207595822 1034473420 /nfs/dbraw/zinc/47/34/20/1034473420.db2.gz MTBBFPXXXPXYCJ-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CCCc1cccc(F)c1)CC2 ZINC001207600648 1034478103 /nfs/dbraw/zinc/47/81/03/1034478103.db2.gz WHYNNAWSSPBWJS-QHCPKHFHSA-N 2 1 397.538 3.909 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001231264259 1034492558 /nfs/dbraw/zinc/49/25/58/1034492558.db2.gz VEZJBPBXAWHPOY-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001231264259 1034492566 /nfs/dbraw/zinc/49/25/66/1034492566.db2.gz VEZJBPBXAWHPOY-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001231264259 1034492572 /nfs/dbraw/zinc/49/25/72/1034492572.db2.gz VEZJBPBXAWHPOY-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC2)CC1 ZINC001207634951 1034500296 /nfs/dbraw/zinc/50/02/96/1034500296.db2.gz GPBOULZGJVJZBO-IBGZPJMESA-N 2 1 396.616 3.693 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001207783784 1034574629 /nfs/dbraw/zinc/57/46/29/1034574629.db2.gz PIKIVLUBSJVQCE-KSZLIROESA-N 2 1 382.504 3.895 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)o1 ZINC001207783786 1034575131 /nfs/dbraw/zinc/57/51/31/1034575131.db2.gz PIKIVLUBSJVQCE-RCCFBDPRSA-N 2 1 382.504 3.895 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001207822598 1034599722 /nfs/dbraw/zinc/59/97/22/1034599722.db2.gz OPYOCHHRKNLWQO-IAGOWNOFSA-N 2 1 389.531 3.542 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001207822598 1034599729 /nfs/dbraw/zinc/59/97/29/1034599729.db2.gz OPYOCHHRKNLWQO-IAGOWNOFSA-N 2 1 389.531 3.542 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cccnc13)CC2 ZINC001231488971 1034632753 /nfs/dbraw/zinc/63/27/53/1034632753.db2.gz OEPOBQIRISSREN-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP COCCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001231542859 1034697344 /nfs/dbraw/zinc/69/73/44/1034697344.db2.gz KOFUWIMIMNXOOT-UHFFFAOYSA-N 2 1 378.557 3.663 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC[C@@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208653 1034799620 /nfs/dbraw/zinc/79/96/20/1034799620.db2.gz DIAKIVQSRNZNBH-VQTJNVASSA-N 2 1 396.616 3.957 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668479 1034823873 /nfs/dbraw/zinc/82/38/73/1034823873.db2.gz WMTNERMULIKVTO-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668479 1034823885 /nfs/dbraw/zinc/82/38/85/1034823885.db2.gz WMTNERMULIKVTO-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668479 1034823898 /nfs/dbraw/zinc/82/38/98/1034823898.db2.gz WMTNERMULIKVTO-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001208592051 1034946847 /nfs/dbraw/zinc/94/68/47/1034946847.db2.gz CAFSLSLRUIEDQE-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208592076 1034947163 /nfs/dbraw/zinc/94/71/63/1034947163.db2.gz CVZIXILAJPCXOV-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN(C[C@H]4CCC[N@@H+](C)C4)CC3)CC2)c1 ZINC001208610249 1034953360 /nfs/dbraw/zinc/95/33/60/1034953360.db2.gz OQRVZMKBUIGYFU-QFIPXVFZSA-N 3 1 385.596 3.715 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC3)c1 ZINC001208610249 1034953362 /nfs/dbraw/zinc/95/33/62/1034953362.db2.gz OQRVZMKBUIGYFU-QFIPXVFZSA-N 3 1 385.596 3.715 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC3)c1 ZINC001208610249 1034953364 /nfs/dbraw/zinc/95/33/64/1034953364.db2.gz OQRVZMKBUIGYFU-QFIPXVFZSA-N 2 1 385.596 3.715 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@H]2CCCN(C)C2)CC3)c1 ZINC001208610249 1034953368 /nfs/dbraw/zinc/95/33/68/1034953368.db2.gz OQRVZMKBUIGYFU-QFIPXVFZSA-N 2 1 385.596 3.715 20 0 GHADMP CC(C)[C@]1(C(=O)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)CCC[NH2+]C1 ZINC001160414249 1034966810 /nfs/dbraw/zinc/96/68/10/1034966810.db2.gz VBHSWGGHRZXOQU-QHCPKHFHSA-N 2 1 392.503 3.546 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4COC5(CCCCC5)O4)CC[C@@H]3C2)cc1 ZINC001208648695 1034966971 /nfs/dbraw/zinc/96/69/71/1034966971.db2.gz QPXLBGXYQDILFH-ZLNRFVROSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4COC5(CCCCC5)O4)CC[C@@H]3C2)cc1 ZINC001208648695 1034966975 /nfs/dbraw/zinc/96/69/75/1034966975.db2.gz QPXLBGXYQDILFH-ZLNRFVROSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4COC5(CCCCC5)O4)CC[C@@H]3C2)cc1 ZINC001208648695 1034966979 /nfs/dbraw/zinc/96/69/79/1034966979.db2.gz QPXLBGXYQDILFH-ZLNRFVROSA-N 2 1 384.564 3.906 20 0 GHADMP CC(=O)N1CCC(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001208677567 1034978718 /nfs/dbraw/zinc/97/87/18/1034978718.db2.gz DZIYADXBYVNTLZ-UHFFFAOYSA-N 2 1 383.580 3.623 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](C[C@H](C)OCc3ccccc3)CC[C@@H]21 ZINC001208698343 1034983697 /nfs/dbraw/zinc/98/36/97/1034983697.db2.gz OFRRHSLWJFDXIO-IGABQKFOSA-N 2 1 396.579 3.662 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](C[C@H](C)OCc3ccccc3)CC[C@@H]21 ZINC001208698343 1034983700 /nfs/dbraw/zinc/98/37/00/1034983700.db2.gz OFRRHSLWJFDXIO-IGABQKFOSA-N 2 1 396.579 3.662 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C[C@H](C)OCc3ccccc3)CC[C@@H]21 ZINC001208698343 1034983703 /nfs/dbraw/zinc/98/37/03/1034983703.db2.gz OFRRHSLWJFDXIO-IGABQKFOSA-N 2 1 396.579 3.662 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C[C@H](C)OCc3ccccc3)CC[C@@H]21 ZINC001208698343 1034983709 /nfs/dbraw/zinc/98/37/09/1034983709.db2.gz OFRRHSLWJFDXIO-IGABQKFOSA-N 2 1 396.579 3.662 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001160476553 1034985491 /nfs/dbraw/zinc/98/54/91/1034985491.db2.gz YGHRSCQMIUUNDX-OSYLJGHBSA-N 2 1 396.913 3.766 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001232004140 1035037375 /nfs/dbraw/zinc/03/73/75/1035037375.db2.gz KJYBTWMRYMEOOF-RTBURBONSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001232004140 1035037377 /nfs/dbraw/zinc/03/73/77/1035037377.db2.gz KJYBTWMRYMEOOF-RTBURBONSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001232004140 1035037379 /nfs/dbraw/zinc/03/73/79/1035037379.db2.gz KJYBTWMRYMEOOF-RTBURBONSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001232004140 1035037383 /nfs/dbraw/zinc/03/73/83/1035037383.db2.gz KJYBTWMRYMEOOF-RTBURBONSA-N 2 1 392.469 3.701 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCc1cccc(Br)c1)CC2 ZINC001208826303 1035044052 /nfs/dbraw/zinc/04/40/52/1035044052.db2.gz XSUAYKUOLNCDCO-UHFFFAOYSA-N 2 1 380.330 3.512 20 0 GHADMP c1c(C[N@H+]2CC[C@@]3(C2)COCc2cnc(-c4ccccc4)nc23)[nH]c2cc[nH+]cc12 ZINC001232015334 1035045346 /nfs/dbraw/zinc/04/53/46/1035045346.db2.gz VRUXGCCIAXQJOA-XMMPIXPASA-N 2 1 397.482 3.694 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232016812 1035046390 /nfs/dbraw/zinc/04/63/90/1035046390.db2.gz IJMBBLBUAYSOLF-UHFFFAOYSA-N 2 1 392.503 3.840 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093679 1035091565 /nfs/dbraw/zinc/09/15/65/1035091565.db2.gz XWSWFKQDEYKNPK-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093679 1035091573 /nfs/dbraw/zinc/09/15/73/1035091573.db2.gz XWSWFKQDEYKNPK-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093679 1035091583 /nfs/dbraw/zinc/09/15/83/1035091583.db2.gz XWSWFKQDEYKNPK-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093679 1035091590 /nfs/dbraw/zinc/09/15/90/1035091590.db2.gz XWSWFKQDEYKNPK-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccncc4[nH]3)C[C@H]21 ZINC001232093679 1035091598 /nfs/dbraw/zinc/09/15/98/1035091598.db2.gz XWSWFKQDEYKNPK-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208933286 1035096926 /nfs/dbraw/zinc/09/69/26/1035096926.db2.gz CTVLSSYQNBRRIB-BJKOFHAPSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208933286 1035096936 /nfs/dbraw/zinc/09/69/36/1035096936.db2.gz CTVLSSYQNBRRIB-BJKOFHAPSA-N 2 1 398.591 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934045 1035099254 /nfs/dbraw/zinc/09/92/54/1035099254.db2.gz XUVMGPIBPOAHMD-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934045 1035099269 /nfs/dbraw/zinc/09/92/69/1035099269.db2.gz XUVMGPIBPOAHMD-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208934045 1035099279 /nfs/dbraw/zinc/09/92/79/1035099279.db2.gz XUVMGPIBPOAHMD-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934723 1035100750 /nfs/dbraw/zinc/10/07/50/1035100750.db2.gz IKHWYGVZSWOWRV-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[NH+]2C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208934723 1035100761 /nfs/dbraw/zinc/10/07/61/1035100761.db2.gz IKHWYGVZSWOWRV-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[NH+]2C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934723 1035100766 /nfs/dbraw/zinc/10/07/66/1035100766.db2.gz IKHWYGVZSWOWRV-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CN(C[C@H]4CCC[N@@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208935761 1035101663 /nfs/dbraw/zinc/10/16/63/1035101663.db2.gz LJWBAMCPFDVKQK-GSDHBNRESA-N 2 1 389.587 3.962 20 0 GHADMP O=C([C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935784 1035102334 /nfs/dbraw/zinc/10/23/34/1035102334.db2.gz LOUKEGNPGRFUBG-GOTSBHOMSA-N 2 1 383.580 3.623 20 0 GHADMP O=C([C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935784 1035102336 /nfs/dbraw/zinc/10/23/36/1035102336.db2.gz LOUKEGNPGRFUBG-GOTSBHOMSA-N 2 1 383.580 3.623 20 0 GHADMP O=C([C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935784 1035102339 /nfs/dbraw/zinc/10/23/39/1035102339.db2.gz LOUKEGNPGRFUBG-GOTSBHOMSA-N 2 1 383.580 3.623 20 0 GHADMP C[C@@](O)(C1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC001208938687 1035106094 /nfs/dbraw/zinc/10/60/94/1035106094.db2.gz DCTGZQGWDQJBOR-AZUAARDMSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@](O)(C1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC001208938687 1035106098 /nfs/dbraw/zinc/10/60/98/1035106098.db2.gz DCTGZQGWDQJBOR-AZUAARDMSA-N 2 1 384.486 3.924 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940178 1035108508 /nfs/dbraw/zinc/10/85/08/1035108508.db2.gz AVBLMSQIPVOPBD-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208940178 1035108512 /nfs/dbraw/zinc/10/85/12/1035108512.db2.gz AVBLMSQIPVOPBD-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208940178 1035108516 /nfs/dbraw/zinc/10/85/16/1035108516.db2.gz AVBLMSQIPVOPBD-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208945123 1035114813 /nfs/dbraw/zinc/11/48/13/1035114813.db2.gz YUIVCTSTRYNCPR-PCCBWWKXSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[NH+]2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208945123 1035114817 /nfs/dbraw/zinc/11/48/17/1035114817.db2.gz YUIVCTSTRYNCPR-PCCBWWKXSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[NH+]2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208945123 1035114820 /nfs/dbraw/zinc/11/48/20/1035114820.db2.gz YUIVCTSTRYNCPR-PCCBWWKXSA-N 2 1 385.552 3.592 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)c1 ZINC001232144410 1035121457 /nfs/dbraw/zinc/12/14/57/1035121457.db2.gz KJSPHHVRTDJZOO-QFIPXVFZSA-N 2 1 391.531 3.863 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001232144903 1035121858 /nfs/dbraw/zinc/12/18/58/1035121858.db2.gz NSMKRPMKQXAUDB-UHFFFAOYSA-N 2 1 391.531 3.720 20 0 GHADMP O=C(c1csc2c1CC[NH2+]C2)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161057614 1035127350 /nfs/dbraw/zinc/12/73/50/1035127350.db2.gz BXOHQWAQEGKMPZ-IBGZPJMESA-N 2 1 395.572 3.663 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208956576 1035129053 /nfs/dbraw/zinc/12/90/53/1035129053.db2.gz BQTLZUIDBPOMDP-NZQKXSOJSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208956576 1035129059 /nfs/dbraw/zinc/12/90/59/1035129059.db2.gz BQTLZUIDBPOMDP-NZQKXSOJSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208956576 1035129065 /nfs/dbraw/zinc/12/90/65/1035129065.db2.gz BQTLZUIDBPOMDP-NZQKXSOJSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](C(=O)OCc3ccccc3)C2)c1 ZINC001232151618 1035130121 /nfs/dbraw/zinc/13/01/21/1035130121.db2.gz PDQCUFMCZMNHIR-NRFANRHFSA-N 2 1 384.495 3.843 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(c4ccccc4OC3=O)C2(C)C)c1 ZINC001232151859 1035130650 /nfs/dbraw/zinc/13/06/50/1035130650.db2.gz QDWHYIYJBPDPPC-QHCPKHFHSA-N 2 1 382.479 3.729 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001232151886 1035130867 /nfs/dbraw/zinc/13/08/67/1035130867.db2.gz RGMWWZYXSFULLV-OAQYLSRUSA-N 2 1 381.495 3.508 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001232151886 1035130868 /nfs/dbraw/zinc/13/08/68/1035130868.db2.gz RGMWWZYXSFULLV-OAQYLSRUSA-N 2 1 381.495 3.508 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC001232189439 1035153712 /nfs/dbraw/zinc/15/37/12/1035153712.db2.gz GDYGYCARAIJBLC-GOTSBHOMSA-N 2 1 377.532 3.907 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC001232189439 1035153716 /nfs/dbraw/zinc/15/37/16/1035153716.db2.gz GDYGYCARAIJBLC-GOTSBHOMSA-N 2 1 377.532 3.907 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC(Nc2ncccc2C[NH+]2CCCC2)CC1 ZINC001161157356 1035162343 /nfs/dbraw/zinc/16/23/43/1035162343.db2.gz CPHPNVAZTGPBCS-UHFFFAOYSA-N 2 1 398.526 3.902 20 0 GHADMP C[C@H](C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001161218307 1035183885 /nfs/dbraw/zinc/18/38/85/1035183885.db2.gz PBZNMVXGNQFXPC-HXUWFJFHSA-N 2 1 383.580 3.596 20 0 GHADMP C[C@H](C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC001161218307 1035183888 /nfs/dbraw/zinc/18/38/88/1035183888.db2.gz PBZNMVXGNQFXPC-HXUWFJFHSA-N 2 1 383.580 3.596 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001209297940 1035234634 /nfs/dbraw/zinc/23/46/34/1035234634.db2.gz LIZANPRGYGRLLE-JOCHJYFZSA-N 2 1 380.532 3.821 20 0 GHADMP c1ccc2c(c1)CC(C[NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001209321915 1035242459 /nfs/dbraw/zinc/24/24/59/1035242459.db2.gz WHLISRPPVFSYFJ-UIOOFZCWSA-N 2 1 394.603 3.862 20 0 GHADMP c1ccc2c(c1)CC(C[N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001209321915 1035242465 /nfs/dbraw/zinc/24/24/65/1035242465.db2.gz WHLISRPPVFSYFJ-UIOOFZCWSA-N 2 1 394.603 3.862 20 0 GHADMP c1ccc2c(c1)CC(C[N@@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001209321915 1035242470 /nfs/dbraw/zinc/24/24/70/1035242470.db2.gz WHLISRPPVFSYFJ-UIOOFZCWSA-N 2 1 394.603 3.862 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc3c(cn1)OCCC3)CC2 ZINC001209500639 1035293665 /nfs/dbraw/zinc/29/36/65/1035293665.db2.gz CWIGSCUXKSZADB-QFIPXVFZSA-N 2 1 381.520 3.876 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc(F)c1O ZINC001209538604 1035308640 /nfs/dbraw/zinc/30/86/40/1035308640.db2.gz WMCYSECCKFJDKG-UXHICEINSA-N 2 1 384.495 3.884 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5[nH]cc(Cl)c54)C[C@@H]3C2)cn1 ZINC001209654885 1035344243 /nfs/dbraw/zinc/34/42/43/1035344243.db2.gz GCTDKAABEWNYHK-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5[nH]cc(Cl)c54)C[C@@H]3C2)cn1 ZINC001209654885 1035344252 /nfs/dbraw/zinc/34/42/52/1035344252.db2.gz GCTDKAABEWNYHK-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5[nH]cc(Cl)c54)C[C@@H]3C2)cn1 ZINC001209654885 1035344261 /nfs/dbraw/zinc/34/42/61/1035344261.db2.gz GCTDKAABEWNYHK-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5[nH]cc(Cl)c54)C[C@@H]3C2)cn1 ZINC001209654885 1035344269 /nfs/dbraw/zinc/34/42/69/1035344269.db2.gz GCTDKAABEWNYHK-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(CC)[C@H]1CC[NH+](CC)C1)c1ccc(Cl)cc1 ZINC001248630121 1036008055 /nfs/dbraw/zinc/00/80/55/1036008055.db2.gz XNQCSPKXPKUPLD-VQTJNVASSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC001248630121 1036008073 /nfs/dbraw/zinc/00/80/73/1036008073.db2.gz XNQCSPKXPKUPLD-VQTJNVASSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC001248630121 1036008096 /nfs/dbraw/zinc/00/80/96/1036008096.db2.gz XNQCSPKXPKUPLD-VQTJNVASSA-N 2 1 394.991 3.849 20 0 GHADMP O=C(c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(Cl)c1)N1CCCCC1 ZINC001243503062 1036185092 /nfs/dbraw/zinc/18/50/92/1036185092.db2.gz MLHHBBXZGDOQTG-UHFFFAOYSA-N 2 1 394.906 3.968 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc3cccc(Br)c3o1)CC2 ZINC001248852210 1036207023 /nfs/dbraw/zinc/20/70/23/1036207023.db2.gz SPFNVDMWUHOJGQ-UHFFFAOYSA-N 2 1 378.314 3.898 20 0 GHADMP O[C@H](C[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1)COc1cccc2[nH]c3ccccc3c21 ZINC001246009452 1037129658 /nfs/dbraw/zinc/12/96/58/1037129658.db2.gz JZCVRKZGGHPRLM-HOYKHHGWSA-N 2 1 393.531 3.573 20 0 GHADMP C[NH2+][C@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246016750 1037135862 /nfs/dbraw/zinc/13/58/62/1037135862.db2.gz UOOUEXOPMQMDST-JTDSTZFVSA-N 2 1 377.315 3.938 20 0 GHADMP OC1(C[N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CC[NH2+]CC1 ZINC001246034478 1037152022 /nfs/dbraw/zinc/15/20/22/1037152022.db2.gz PWTWGWYRJFJUIA-UHFFFAOYSA-N 3 1 399.623 3.649 20 0 GHADMP O[C@@]1(C[N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CCC[NH2+]C1 ZINC001246034660 1037152421 /nfs/dbraw/zinc/15/24/21/1037152421.db2.gz QTVQJKRHOOUNLJ-VWLOTQADSA-N 3 1 399.623 3.649 20 0 GHADMP O[C@@]1(C[N@@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CCCNC1 ZINC001246034660 1037152436 /nfs/dbraw/zinc/15/24/36/1037152436.db2.gz QTVQJKRHOOUNLJ-VWLOTQADSA-N 2 1 399.623 3.649 20 0 GHADMP O[C@@]1(C[N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CCCNC1 ZINC001246034660 1037152482 /nfs/dbraw/zinc/15/24/82/1037152482.db2.gz QTVQJKRHOOUNLJ-VWLOTQADSA-N 2 1 399.623 3.649 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246038035 1037154366 /nfs/dbraw/zinc/15/43/66/1037154366.db2.gz UHMCIFCDPXNZLC-XGAJZPNHSA-N 2 1 388.596 3.659 20 0 GHADMP Cc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246063710 1037175049 /nfs/dbraw/zinc/17/50/49/1037175049.db2.gz BXTKXEUJYQQVAC-DNVJHFABSA-N 2 1 382.548 3.815 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123234 1037203235 /nfs/dbraw/zinc/20/32/35/1037203235.db2.gz UKHAGUDLSRAFPN-GIWBLDEGSA-N 3 1 387.612 3.672 20 0 GHADMP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246141550 1037212881 /nfs/dbraw/zinc/21/28/81/1037212881.db2.gz PYJMQVXEYBJMCI-PTUXOGIPSA-N 3 1 379.523 3.975 20 0 GHADMP C[C@@H]1CC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)C[C@@H](C)N1Cc1ccccc1 ZINC001246180815 1037225839 /nfs/dbraw/zinc/22/58/39/1037225839.db2.gz PYNFUEWULHISPX-VIZSFHNOSA-N 2 1 385.596 3.566 20 0 GHADMP COC(=O)C[C@@H]([NH2+]C1C[C@@H](C)[NH2+][C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256480 1037257042 /nfs/dbraw/zinc/25/70/42/1037257042.db2.gz POAWKGGNDWFJTL-PMAPCBKXSA-N 2 1 396.531 3.988 20 0 GHADMP C[C@@H](N[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316235 1037292033 /nfs/dbraw/zinc/29/20/33/1037292033.db2.gz MPTKTSCTHGLWFY-JFWNMISASA-N 2 1 389.587 3.949 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316235 1037292051 /nfs/dbraw/zinc/29/20/51/1037292051.db2.gz MPTKTSCTHGLWFY-JFWNMISASA-N 3 1 389.587 3.949 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C1C[NH2+]C1 ZINC001246316235 1037292076 /nfs/dbraw/zinc/29/20/76/1037292076.db2.gz MPTKTSCTHGLWFY-JFWNMISASA-N 3 1 389.587 3.949 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCN1 ZINC001246331109 1037298153 /nfs/dbraw/zinc/29/81/53/1037298153.db2.gz HRUZXRIKVNIYDT-IFMALSPDSA-N 2 1 385.527 3.657 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1 ZINC001246343655 1037306382 /nfs/dbraw/zinc/30/63/82/1037306382.db2.gz GNCGAEQQNYMHNB-IRLDBZIGSA-N 2 1 384.495 3.823 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246357017 1037315421 /nfs/dbraw/zinc/31/54/21/1037315421.db2.gz SEGIVPZWIFDJKV-FCEUIQTBSA-N 2 1 384.495 3.864 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246360561 1037320909 /nfs/dbraw/zinc/32/09/09/1037320909.db2.gz KEYUBPKGXOGPAT-LJQANCHMSA-N 2 1 394.401 3.781 20 0 GHADMP CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC001246366150 1037325249 /nfs/dbraw/zinc/32/52/49/1037325249.db2.gz MDLYFJTVQCNOJR-RBUKOAKNSA-N 2 1 394.401 3.781 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1C(F)(F)F ZINC001246367541 1037327164 /nfs/dbraw/zinc/32/71/64/1037327164.db2.gz ABSNQAKUUSBZRA-CRAIPNDOSA-N 2 1 388.474 3.987 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H](c3ccccc3)C2)cc1 ZINC001246368373 1037327195 /nfs/dbraw/zinc/32/71/95/1037327195.db2.gz BWIOLPMVFUYSJW-NIYYFLRXSA-N 2 1 375.560 3.917 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246397999 1037356053 /nfs/dbraw/zinc/35/60/53/1037356053.db2.gz URDLLFLBPLEQCI-FYYLOGMGSA-N 3 1 399.529 3.977 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC1)C2 ZINC001246420417 1037376313 /nfs/dbraw/zinc/37/63/13/1037376313.db2.gz XGAFGSJSPMDMCM-ACDBMABISA-N 3 1 395.513 3.932 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC1)C2 ZINC001246420417 1037376329 /nfs/dbraw/zinc/37/63/29/1037376329.db2.gz XGAFGSJSPMDMCM-ACDBMABISA-N 2 1 395.513 3.932 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)CO2 ZINC001246421396 1037376362 /nfs/dbraw/zinc/37/63/62/1037376362.db2.gz RJYZHNYDSDMKEJ-GTCCEBARSA-N 2 1 384.495 3.777 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CCOCC3)c(F)c2)CC[NH2+]1 ZINC001246440211 1037402495 /nfs/dbraw/zinc/40/24/95/1037402495.db2.gz GSYHJITZAKSZBM-NQIIRXRSSA-N 2 1 378.532 3.887 20 0 GHADMP FC(F)(F)c1ccccc1C1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNCC1 ZINC001246451789 1037412552 /nfs/dbraw/zinc/41/25/52/1037412552.db2.gz OFKDTEOSSQOBPM-UHFFFAOYSA-N 2 1 381.486 3.796 20 0 GHADMP FC(F)(F)c1ccccc1C1(NC2CCC3(CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC001246451789 1037412560 /nfs/dbraw/zinc/41/25/60/1037412560.db2.gz OFKDTEOSSQOBPM-UHFFFAOYSA-N 2 1 381.486 3.796 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246476254 1037425133 /nfs/dbraw/zinc/42/51/33/1037425133.db2.gz YJDSPQVFPOUKGO-DKZVUGQWSA-N 2 1 384.495 3.777 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1CCc2cc(F)ccc2C1)C(=O)OCc1ccccc1 ZINC001246484418 1037430283 /nfs/dbraw/zinc/43/02/83/1037430283.db2.gz GSQLKOLZYHBTKV-FCHUYYIVSA-N 2 1 384.495 3.514 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C[C@@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246492312 1037436731 /nfs/dbraw/zinc/43/67/31/1037436731.db2.gz VDRHCIDRPYVFPN-LDQXTDLNSA-N 2 1 376.903 3.946 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](OC(=O)NC(C)(C)C)C2)CC[NH2+]1 ZINC001246495963 1037441677 /nfs/dbraw/zinc/44/16/77/1037441677.db2.gz CLAQMGVCPMYMRP-MLYOOKFZSA-N 2 1 391.531 3.963 20 0 GHADMP COCC[N@@H+](C)[C@H](CN[C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001246515187 1037452294 /nfs/dbraw/zinc/45/22/94/1037452294.db2.gz KYKGLDUPYQWSAU-ZCNNSNEGSA-N 2 1 381.992 3.716 20 0 GHADMP C[C@@H]1CN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001246533302 1037467041 /nfs/dbraw/zinc/46/70/41/1037467041.db2.gz MHWIQZXXBUXKGR-WIVXBSKCSA-N 2 1 377.576 3.945 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC001246548599 1037478063 /nfs/dbraw/zinc/47/80/63/1037478063.db2.gz FJLHFXXANBVMRI-UVMVFJKDSA-N 2 1 378.944 3.610 20 0 GHADMP C[C@@H]1CC[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC[C@@H]1C[NH3+] ZINC001246562020 1037480984 /nfs/dbraw/zinc/48/09/84/1037480984.db2.gz VMCMCGVQDUWWBU-GMISPTPDSA-N 2 1 383.580 3.624 20 0 GHADMP O=C1CC[C@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC001246602760 1037498253 /nfs/dbraw/zinc/49/82/53/1037498253.db2.gz JIWAPJFARPOJLU-LADGPHEKSA-N 2 1 383.580 3.814 20 0 GHADMP CCCN1CCC([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246618730 1037510185 /nfs/dbraw/zinc/51/01/85/1037510185.db2.gz KHGKMDMILNFUMH-HSZRJFAPSA-N 2 1 385.596 3.664 20 0 GHADMP CCCN1CCC([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246618730 1037510202 /nfs/dbraw/zinc/51/02/02/1037510202.db2.gz KHGKMDMILNFUMH-HSZRJFAPSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246624241 1037512075 /nfs/dbraw/zinc/51/20/75/1037512075.db2.gz OLHVKTTZOBZUFJ-HUVFLSCGSA-N 2 1 375.560 3.729 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CSc3ccccc3C1)CC2 ZINC001246632532 1037517545 /nfs/dbraw/zinc/51/75/45/1037517545.db2.gz WXJMEUAYKLNDRV-IBGZPJMESA-N 2 1 380.557 3.849 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001246635545 1037521264 /nfs/dbraw/zinc/52/12/64/1037521264.db2.gz CKIUZDDRKVWJAY-CZUORRHYSA-N 2 1 378.385 3.837 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+]([C@@H](CC)Cc1ccccc1)C2 ZINC001246667536 1037534861 /nfs/dbraw/zinc/53/48/61/1037534861.db2.gz MZAXOBJYQGNPGI-AWRGLXIESA-N 2 1 384.564 3.653 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCc3cc(C(=O)OC)c(-c4ccsc4)nc3CC2)CC[NH2+]1 ZINC001246705078 1037559187 /nfs/dbraw/zinc/55/91/87/1037559187.db2.gz WFJOFRGIMGJZIB-QZTJIDSGSA-N 2 1 399.560 3.528 20 0 GHADMP CCCC[C@H]1C[C@@H](N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246713649 1037563983 /nfs/dbraw/zinc/56/39/83/1037563983.db2.gz GJOWFKHKWXNEMF-JQZONJITSA-N 2 1 389.584 3.502 20 0 GHADMP CCCC[C@H]1C[C@@H](N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246713649 1037564000 /nfs/dbraw/zinc/56/40/00/1037564000.db2.gz GJOWFKHKWXNEMF-JQZONJITSA-N 2 1 389.584 3.502 20 0 GHADMP O=C1C[C@@]2(CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)CN1c1ccc(F)cc1 ZINC001246714944 1037566746 /nfs/dbraw/zinc/56/67/46/1037566746.db2.gz NHPNXXJFLZYTGM-HSZRJFAPSA-N 2 1 385.527 3.567 20 0 GHADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC[NH2+]1 ZINC001246726688 1037575626 /nfs/dbraw/zinc/57/56/26/1037575626.db2.gz ASFVMZAYQSNQIH-PKOBYXMFSA-N 2 1 398.576 3.573 20 0 GHADMP CC(C)[C@H]1C[C@@H]([N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC[NH2+]1 ZINC001246726688 1037575638 /nfs/dbraw/zinc/57/56/38/1037575638.db2.gz ASFVMZAYQSNQIH-PKOBYXMFSA-N 2 1 398.576 3.573 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)N1c1ccccc1 ZINC001246729334 1037577912 /nfs/dbraw/zinc/57/79/12/1037577912.db2.gz NUXBHELVOFKXEZ-MSNJVRRCSA-N 2 1 389.543 3.620 20 0 GHADMP c1ccc(-c2ncnc3c2CC[N@@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CC3)cc1 ZINC001246738863 1037583247 /nfs/dbraw/zinc/58/32/47/1037583247.db2.gz HISXHRBPJOILGE-FQEVSTJZSA-N 2 1 376.548 3.999 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+][C@H](C(C)(C)C)C4)C3)CC2=O)s1 ZINC001246753155 1037592425 /nfs/dbraw/zinc/59/24/25/1037592425.db2.gz BKRDCOFZMWEUBN-LLGFUMIMSA-N 2 1 375.582 3.652 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1cccc(F)c1 ZINC001246753886 1037596068 /nfs/dbraw/zinc/59/60/68/1037596068.db2.gz DLRJQHNCEYOLAG-SFLYRZDNSA-N 2 1 393.506 3.748 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1cccc(F)c1 ZINC001246753886 1037596079 /nfs/dbraw/zinc/59/60/79/1037596079.db2.gz DLRJQHNCEYOLAG-SFLYRZDNSA-N 2 1 393.506 3.748 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CC[NH2+][C@H](c5ccccc5)C4)CC[N@H+]3C2)cc1 ZINC001246763479 1037607965 /nfs/dbraw/zinc/60/79/65/1037607965.db2.gz CPCPGZDCTKWGKG-AICRDVKUSA-N 2 1 391.559 3.626 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246770798 1037612745 /nfs/dbraw/zinc/61/27/45/1037612745.db2.gz UTFLLNYOUURROH-NNXSRULWSA-N 2 1 378.601 3.983 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3CCC4(C3)CC[NH2+]CC4)C2)C1=O ZINC001246779703 1037618404 /nfs/dbraw/zinc/61/84/04/1037618404.db2.gz UNCSNCCTICQFJN-DVECYGJZSA-N 2 1 381.564 3.555 20 0 GHADMP Brc1cccc([C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)CCN2)c1 ZINC001246804358 1037638094 /nfs/dbraw/zinc/63/80/94/1037638094.db2.gz GQIVDXHHLNIWCM-IOJLRTSASA-N 2 1 392.385 3.708 20 0 GHADMP Brc1cccc([C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)CCN2)c1 ZINC001246804358 1037638099 /nfs/dbraw/zinc/63/80/99/1037638099.db2.gz GQIVDXHHLNIWCM-IOJLRTSASA-N 2 1 392.385 3.708 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246817745 1037649654 /nfs/dbraw/zinc/64/96/54/1037649654.db2.gz NJCSVZWOCQAYFO-DLBZAZTESA-N 2 1 384.490 3.923 20 0 GHADMP COCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246839815 1037668144 /nfs/dbraw/zinc/66/81/44/1037668144.db2.gz MSOVROPMZBYSKD-DEOSSOPVSA-N 2 1 394.559 3.823 20 0 GHADMP CC[C@@H]1CC([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C[C@@H](CC)[NH2+]1 ZINC001246839595 1037669091 /nfs/dbraw/zinc/66/90/91/1037669091.db2.gz YICPCFRLSYOTFT-UGESXGAOSA-N 2 1 385.552 3.781 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246879388 1037695162 /nfs/dbraw/zinc/69/51/62/1037695162.db2.gz MVOJLSJDNHNCKT-XVAYZXCPSA-N 2 1 381.568 3.612 20 0 GHADMP CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246889614 1037706882 /nfs/dbraw/zinc/70/68/82/1037706882.db2.gz GAWHRCZVULSPTI-PWRODBHTSA-N 2 1 376.541 3.550 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246889614 1037706903 /nfs/dbraw/zinc/70/69/03/1037706903.db2.gz GAWHRCZVULSPTI-PWRODBHTSA-N 2 1 376.541 3.550 20 0 GHADMP CCC[N@@H+](C1CC[NH2+]CC1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001246893158 1037707560 /nfs/dbraw/zinc/70/75/60/1037707560.db2.gz HWUKKXNXRXQHPB-UHFFFAOYSA-N 2 1 380.374 3.882 20 0 GHADMP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001246896940 1037711948 /nfs/dbraw/zinc/71/19/48/1037711948.db2.gz VBQACBYPUQGATH-TZIWHRDSSA-N 2 1 381.681 3.760 20 0 GHADMP CSc1nc(Cl)cc(N2CCC[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)n1 ZINC001246910887 1037719001 /nfs/dbraw/zinc/71/90/01/1037719001.db2.gz LCFZXYYLGDVPLF-GJZGRUSLSA-N 2 1 398.020 3.531 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@@H]5[NH2+]C[C@H]5C4)C[C@@H]23)cc1 ZINC001246916503 1037724795 /nfs/dbraw/zinc/72/47/95/1037724795.db2.gz ACYKXOBBBVIVMU-PRKOWYPUSA-N 2 1 387.571 3.655 20 0 GHADMP CC1(C)C[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CCO1 ZINC001246936407 1037743456 /nfs/dbraw/zinc/74/34/56/1037743456.db2.gz IMMVWPFYCBJXBB-SFHVURJKSA-N 2 1 381.358 3.961 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246940368 1037745471 /nfs/dbraw/zinc/74/54/71/1037745471.db2.gz WMTCCUNAJIKLKU-REWPJTCUSA-N 2 1 383.580 3.926 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246943670 1037748613 /nfs/dbraw/zinc/74/86/13/1037748613.db2.gz RQSYWEVLZRCAOZ-QHCPKHFHSA-N 2 1 395.522 3.685 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246943670 1037748626 /nfs/dbraw/zinc/74/86/26/1037748626.db2.gz RQSYWEVLZRCAOZ-QHCPKHFHSA-N 2 1 395.522 3.685 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CC(C)(C)N(O)C(C)(C)C2)cc1F ZINC001246957521 1037771733 /nfs/dbraw/zinc/77/17/33/1037771733.db2.gz BIKMRRJIUBHLBA-UHFFFAOYSA-N 2 1 393.547 3.799 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccccc2OC)C2CC[NH2+]CC2)c1 ZINC001246959933 1037776312 /nfs/dbraw/zinc/77/63/12/1037776312.db2.gz UPSFCPGBYHWACY-SFHVURJKSA-N 2 1 396.531 3.667 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246961211 1037782307 /nfs/dbraw/zinc/78/23/07/1037782307.db2.gz JIMUZTUASIDTEW-FXAWDEMLSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246961211 1037782318 /nfs/dbraw/zinc/78/23/18/1037782318.db2.gz JIMUZTUASIDTEW-FXAWDEMLSA-N 2 1 376.516 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246984582 1037808347 /nfs/dbraw/zinc/80/83/47/1037808347.db2.gz MHWIQZXXBUXKGR-YENTXNKWSA-N 2 1 377.576 3.945 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)nc(C)[nH+]1 ZINC001246992517 1037813527 /nfs/dbraw/zinc/81/35/27/1037813527.db2.gz MYCAKKASVLBEAU-UNMCSNQZSA-N 3 1 397.542 3.593 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001246997118 1037821605 /nfs/dbraw/zinc/82/16/05/1037821605.db2.gz KPHDKKISKGOWGZ-WBQSDOAFSA-N 2 1 397.357 3.629 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001246997118 1037821618 /nfs/dbraw/zinc/82/16/18/1037821618.db2.gz KPHDKKISKGOWGZ-WBQSDOAFSA-N 2 1 397.357 3.629 20 0 GHADMP COCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001232300056 1038045341 /nfs/dbraw/zinc/04/53/41/1038045341.db2.gz GREUJHJNTIOYMW-QTJGBDASSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001232300056 1038045365 /nfs/dbraw/zinc/04/53/65/1038045365.db2.gz GREUJHJNTIOYMW-QTJGBDASSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001232300056 1038045377 /nfs/dbraw/zinc/04/53/77/1038045377.db2.gz GREUJHJNTIOYMW-QTJGBDASSA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001232300056 1038045396 /nfs/dbraw/zinc/04/53/96/1038045396.db2.gz GREUJHJNTIOYMW-QTJGBDASSA-N 2 1 379.548 3.961 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(C)n1 ZINC001232308809 1038062755 /nfs/dbraw/zinc/06/27/55/1038062755.db2.gz WFFKJXYVFMSOGI-FQEVSTJZSA-N 2 1 399.535 3.637 20 0 GHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432696 1038214064 /nfs/dbraw/zinc/21/40/64/1038214064.db2.gz GNIUNMIOMCJBBP-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432696 1038214080 /nfs/dbraw/zinc/21/40/80/1038214080.db2.gz GNIUNMIOMCJBBP-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432696 1038214091 /nfs/dbraw/zinc/21/40/91/1038214091.db2.gz GNIUNMIOMCJBBP-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432696 1038214104 /nfs/dbraw/zinc/21/41/04/1038214104.db2.gz GNIUNMIOMCJBBP-QHCPKHFHSA-N 2 1 385.552 3.902 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cccc(Br)c2C(F)(F)F)no1 ZINC001247692781 1038331236 /nfs/dbraw/zinc/33/12/36/1038331236.db2.gz GMCDASKAGRNVTF-JTQLQIEISA-N 2 1 393.207 3.647 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc(Br)c3ccccc23)no1 ZINC001247699626 1038339596 /nfs/dbraw/zinc/33/95/96/1038339596.db2.gz UIJPCCQVFQKDAX-OAHLLOKOSA-N 2 1 375.270 3.781 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651810 1038442897 /nfs/dbraw/zinc/44/28/97/1038442897.db2.gz WKYQUMVPKKYRKG-PUZWTLIVSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651810 1038442906 /nfs/dbraw/zinc/44/29/06/1038442906.db2.gz WKYQUMVPKKYRKG-PUZWTLIVSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651810 1038442912 /nfs/dbraw/zinc/44/29/12/1038442912.db2.gz WKYQUMVPKKYRKG-PUZWTLIVSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncc4cnccc43)C[C@@H]21 ZINC001232651810 1038442920 /nfs/dbraw/zinc/44/29/20/1038442920.db2.gz WKYQUMVPKKYRKG-PUZWTLIVSA-N 2 1 387.531 3.757 20 0 GHADMP Fc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c(C(F)(F)F)c1 ZINC001247908886 1038482016 /nfs/dbraw/zinc/48/20/16/1038482016.db2.gz YJISAZJIADOYRJ-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP Clc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c(Cl)c1 ZINC001247910079 1038483384 /nfs/dbraw/zinc/48/33/84/1038483384.db2.gz ZSURXIRLOPPFBK-UHFFFAOYSA-N 2 1 381.307 3.975 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232969399 1038742064 /nfs/dbraw/zinc/74/20/64/1038742064.db2.gz BNXVJPAIPGYUIH-UHFFFAOYSA-N 2 1 387.474 3.942 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cnc(C)cc1C)CC2 ZINC001233006586 1038766567 /nfs/dbraw/zinc/76/65/67/1038766567.db2.gz RBZXFAPVQGNLAW-HSZRJFAPSA-N 2 1 394.563 3.597 20 0 GHADMP Cc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001233249703 1039010959 /nfs/dbraw/zinc/01/09/59/1039010959.db2.gz GCYXICPNGADDJE-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001233249703 1039010971 /nfs/dbraw/zinc/01/09/71/1039010971.db2.gz GCYXICPNGADDJE-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001233249703 1039010985 /nfs/dbraw/zinc/01/09/85/1039010985.db2.gz GCYXICPNGADDJE-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)Cc1ccccc1 ZINC001252718754 1039096177 /nfs/dbraw/zinc/09/61/77/1039096177.db2.gz TYJXGNRJYUBSQE-IFMALSPDSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC001252718754 1039096192 /nfs/dbraw/zinc/09/61/92/1039096192.db2.gz TYJXGNRJYUBSQE-IFMALSPDSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC001252718754 1039096208 /nfs/dbraw/zinc/09/62/08/1039096208.db2.gz TYJXGNRJYUBSQE-IFMALSPDSA-N 2 1 388.600 3.660 20 0 GHADMP O[C@]1(C[NH+]2CCC(Cc3ccccc3F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252930599 1039265743 /nfs/dbraw/zinc/26/57/43/1039265743.db2.gz ZSQCZFYIGBVATH-DEOSSOPVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[NH+]2CCC(Cc3ccccc3F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252930599 1039265760 /nfs/dbraw/zinc/26/57/60/1039265760.db2.gz ZSQCZFYIGBVATH-DEOSSOPVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@]1(C[N@@H+]2CCC[C@H]2c2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)C1 ZINC001252927010 1039267241 /nfs/dbraw/zinc/26/72/41/1039267241.db2.gz DHBWDZRMIBOUSI-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[N@H+]2CCC[C@H]2c2cc3ccccc3[nH]2)CC[NH+](Cc2ccccc2)C1 ZINC001252927010 1039267244 /nfs/dbraw/zinc/26/72/44/1039267244.db2.gz DHBWDZRMIBOUSI-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@H]2c2cc3ccccc3[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC001252927010 1039267248 /nfs/dbraw/zinc/26/72/48/1039267248.db2.gz DHBWDZRMIBOUSI-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@@]1(C[NH+]2CCC[C@H]2c2cc3ccccc3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252927010 1039267253 /nfs/dbraw/zinc/26/72/53/1039267253.db2.gz DHBWDZRMIBOUSI-ZEQRLZLVSA-N 2 1 375.516 3.942 20 0 GHADMP C[N@H+](CCc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252936174 1039274504 /nfs/dbraw/zinc/27/45/04/1039274504.db2.gz GZOHRNDCMCUWNG-OAQYLSRUSA-N 2 1 392.465 3.817 20 0 GHADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001252936174 1039274519 /nfs/dbraw/zinc/27/45/19/1039274519.db2.gz GZOHRNDCMCUWNG-OAQYLSRUSA-N 2 1 392.465 3.817 20 0 GHADMP C[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252936174 1039274532 /nfs/dbraw/zinc/27/45/32/1039274532.db2.gz GZOHRNDCMCUWNG-OAQYLSRUSA-N 2 1 392.465 3.817 20 0 GHADMP C[NH+](CCc1ccc(C(F)(F)F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252936174 1039274546 /nfs/dbraw/zinc/27/45/46/1039274546.db2.gz GZOHRNDCMCUWNG-OAQYLSRUSA-N 2 1 392.465 3.817 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001252939389 1039282502 /nfs/dbraw/zinc/28/25/02/1039282502.db2.gz JXAYNTKXJACOBB-FDFHNCONSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001252939389 1039282512 /nfs/dbraw/zinc/28/25/12/1039282512.db2.gz JXAYNTKXJACOBB-FDFHNCONSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001252939389 1039282527 /nfs/dbraw/zinc/28/25/27/1039282527.db2.gz JXAYNTKXJACOBB-FDFHNCONSA-N 2 1 398.595 3.555 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252997704 1039327881 /nfs/dbraw/zinc/32/78/81/1039327881.db2.gz OKOXGYDVVSEVPJ-XSDIEEQYSA-N 2 1 394.625 3.706 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@](C)(O)c1ccccc1)CC2 ZINC001253099558 1039423385 /nfs/dbraw/zinc/42/33/85/1039423385.db2.gz JXDYTJVEDNIBOF-QHCPKHFHSA-N 2 1 379.548 3.666 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253300016 1039546906 /nfs/dbraw/zinc/54/69/06/1039546906.db2.gz DVEKNMVDSPJTIR-IEZKXTBUSA-N 2 1 396.575 3.702 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001253838572 1039846560 /nfs/dbraw/zinc/84/65/60/1039846560.db2.gz GALGTUBPVFTDFR-BJESRGMDSA-N 2 1 380.532 3.520 20 0 GHADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001234240318 1039935022 /nfs/dbraw/zinc/93/50/22/1039935022.db2.gz GGSSCQJMTDOOPT-SJLPKXTDSA-N 2 1 387.499 3.895 20 0 GHADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001234240318 1039935026 /nfs/dbraw/zinc/93/50/26/1039935026.db2.gz GGSSCQJMTDOOPT-SJLPKXTDSA-N 2 1 387.499 3.895 20 0 GHADMP COc1ccccc1C[C@H](C)[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039698 1039968445 /nfs/dbraw/zinc/96/84/45/1039968445.db2.gz AWBPXEPOQQWAOY-FQEVSTJZSA-N 2 1 382.548 3.585 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001254119414 1039997009 /nfs/dbraw/zinc/99/70/09/1039997009.db2.gz YIUUMUCWXIVGFO-AKIFATBCSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001254210322 1040065895 /nfs/dbraw/zinc/06/58/95/1040065895.db2.gz VDBANMPACBZWLI-IBGZPJMESA-N 2 1 388.556 3.738 20 0 GHADMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254243215 1040095373 /nfs/dbraw/zinc/09/53/73/1040095373.db2.gz LEGBZMUGUYRPOD-BRWVUGGUSA-N 2 1 381.561 3.531 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001254297057 1040148511 /nfs/dbraw/zinc/14/85/11/1040148511.db2.gz HZRBDEIZQBYSCR-IBGZPJMESA-N 2 1 391.531 3.865 20 0 GHADMP CCN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001254426998 1040225455 /nfs/dbraw/zinc/22/54/55/1040225455.db2.gz GZKMCNDTTYARNY-QKDPSFTKSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC001254737650 1040495472 /nfs/dbraw/zinc/49/54/72/1040495472.db2.gz JYZFQILQCLUMCR-SFHVURJKSA-N 2 1 377.573 3.773 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1OC ZINC001235151911 1040643646 /nfs/dbraw/zinc/64/36/46/1040643646.db2.gz JPBBEXURVXMJMR-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(-c4ccsc4)cs3)CC[C@@H]2C1 ZINC001235186215 1040677254 /nfs/dbraw/zinc/67/72/54/1040677254.db2.gz TUOYPWODAIOLKL-OXQOHEQNSA-N 2 1 392.590 3.646 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(-c4ccsc4)cs3)CC[C@@H]2C1 ZINC001235186215 1040677261 /nfs/dbraw/zinc/67/72/61/1040677261.db2.gz TUOYPWODAIOLKL-OXQOHEQNSA-N 2 1 392.590 3.646 20 0 GHADMP Brc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc2c1OCO2 ZINC001235229992 1040709131 /nfs/dbraw/zinc/70/91/31/1040709131.db2.gz MVVDQAKVDZKMDB-INIZCTEOSA-N 2 1 381.314 3.532 20 0 GHADMP CC(C)Oc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(Br)cn1 ZINC001235235768 1040715318 /nfs/dbraw/zinc/71/53/18/1040715318.db2.gz AQBBSYARNBRACH-SFHVURJKSA-N 2 1 396.373 3.985 20 0 GHADMP c1ccc2c(c1)CC([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCC1CC1)C2 ZINC001255022093 1040734682 /nfs/dbraw/zinc/73/46/82/1040734682.db2.gz BLEVPULTWFMVEL-UKILVPOCSA-N 2 1 380.576 3.614 20 0 GHADMP c1ccc2c(c1)CC([N@@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001255022093 1040734697 /nfs/dbraw/zinc/73/46/97/1040734697.db2.gz BLEVPULTWFMVEL-UKILVPOCSA-N 2 1 380.576 3.614 20 0 GHADMP c1ccc2c(c1)CC([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C1)C2 ZINC001255022093 1040734714 /nfs/dbraw/zinc/73/47/14/1040734714.db2.gz BLEVPULTWFMVEL-UKILVPOCSA-N 2 1 380.576 3.614 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001235254153 1040736885 /nfs/dbraw/zinc/73/68/85/1040736885.db2.gz OMQXUVWBRYYVGR-QHCPKHFHSA-N 2 1 379.548 3.900 20 0 GHADMP O[C@H]1C[C@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068708 1040762157 /nfs/dbraw/zinc/76/21/57/1040762157.db2.gz BNYDPFJFXSPEFL-AMGAHSPLSA-N 2 1 376.544 3.864 20 0 GHADMP O[C@H](CF)C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075838 1040766079 /nfs/dbraw/zinc/76/60/79/1040766079.db2.gz JEIZSYINIIIKRB-OLKYXYMISA-N 2 1 382.523 3.671 20 0 GHADMP OC1(C[NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255073735 1040767227 /nfs/dbraw/zinc/76/72/27/1040767227.db2.gz QUOQIAIJFOQSSI-VDKIKQQVSA-N 2 1 376.544 3.866 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(C)sc1C)C2 ZINC001235324209 1040794305 /nfs/dbraw/zinc/79/43/05/1040794305.db2.gz HXYLJHVKFCJGJM-GHTZIAJQSA-N 2 1 376.566 3.510 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)cn2)cc1 ZINC001235338839 1040808798 /nfs/dbraw/zinc/80/87/98/1040808798.db2.gz CNHYJTDTXSIBOM-MRXNPFEDSA-N 2 1 377.410 3.689 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123568 1040814266 /nfs/dbraw/zinc/81/42/66/1040814266.db2.gz CWRHYUIYQZUULU-BURNTYAHSA-N 2 1 385.552 3.781 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](C[C@H](C)c3cccc4ccccc43)C[C@@H]1CC[NH2+]CC2 ZINC001235347882 1040823975 /nfs/dbraw/zinc/82/39/75/1040823975.db2.gz AABLHOXQNOKXNI-WXVUKLJWSA-N 2 1 380.532 3.808 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131026 1040824099 /nfs/dbraw/zinc/82/40/99/1040824099.db2.gz LUGRYZRRWCNVEA-BXXSPATCSA-N 2 1 376.548 3.836 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2(Cc4cccnc4)CCOCC2)C3)cc1 ZINC001255133821 1040831230 /nfs/dbraw/zinc/83/12/30/1040831230.db2.gz VVXFAWTUGHONEK-BKFWDETESA-N 2 1 391.559 3.959 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2(Cc4cccnc4)CCOCC2)C3)cc1 ZINC001255133827 1040832148 /nfs/dbraw/zinc/83/21/48/1040832148.db2.gz VVXFAWTUGHONEK-JOZNFPNDSA-N 2 1 391.559 3.959 20 0 GHADMP O[C@]1(C(F)(F)F)CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255135484 1040835440 /nfs/dbraw/zinc/83/54/40/1040835440.db2.gz CAIACSIDHKWPRU-FUMNGEBKSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255135484 1040835453 /nfs/dbraw/zinc/83/54/53/1040835453.db2.gz CAIACSIDHKWPRU-FUMNGEBKSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135484 1040835468 /nfs/dbraw/zinc/83/54/68/1040835468.db2.gz CAIACSIDHKWPRU-FUMNGEBKSA-N 2 1 382.470 3.961 20 0 GHADMP N[C@H]([C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136033 1040835605 /nfs/dbraw/zinc/83/56/05/1040835605.db2.gz LQXVMMDGLZHZQJ-OUUBHVDSSA-N 2 1 381.486 3.784 20 0 GHADMP N[C@H]([C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136033 1040835617 /nfs/dbraw/zinc/83/56/17/1040835617.db2.gz LQXVMMDGLZHZQJ-OUUBHVDSSA-N 2 1 381.486 3.784 20 0 GHADMP N[C@H]([C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136033 1040835627 /nfs/dbraw/zinc/83/56/27/1040835627.db2.gz LQXVMMDGLZHZQJ-OUUBHVDSSA-N 2 1 381.486 3.784 20 0 GHADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235356507 1040837040 /nfs/dbraw/zinc/83/70/40/1040837040.db2.gz YVVKQWBTGZBSNS-UYAOXDASSA-N 2 1 375.438 3.988 20 0 GHADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235356507 1040837065 /nfs/dbraw/zinc/83/70/65/1040837065.db2.gz YVVKQWBTGZBSNS-UYAOXDASSA-N 2 1 375.438 3.988 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@@H+](Cc2cccc(N4CCCCC4)n2)C3)cc1 ZINC001235357908 1040841135 /nfs/dbraw/zinc/84/11/35/1040841135.db2.gz GGSHRVVMLSPCFQ-ISKFKSNPSA-N 2 1 376.548 3.651 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](Cc2cccc(N4CCCCC4)n2)C3)cc1 ZINC001235357908 1040841153 /nfs/dbraw/zinc/84/11/53/1040841153.db2.gz GGSHRVVMLSPCFQ-ISKFKSNPSA-N 2 1 376.548 3.651 20 0 GHADMP COC[C@H]1COCCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255141157 1040847897 /nfs/dbraw/zinc/84/78/97/1040847897.db2.gz AGTDNWPOBZNTPC-CJRSTVEYSA-N 2 1 398.591 3.947 20 0 GHADMP COC[C@H]1COCCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255141157 1040847912 /nfs/dbraw/zinc/84/79/12/1040847912.db2.gz AGTDNWPOBZNTPC-CJRSTVEYSA-N 2 1 398.591 3.947 20 0 GHADMP COC[C@H]1COCCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255141157 1040847920 /nfs/dbraw/zinc/84/79/20/1040847920.db2.gz AGTDNWPOBZNTPC-CJRSTVEYSA-N 2 1 398.591 3.947 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365616 1040854967 /nfs/dbraw/zinc/85/49/67/1040854967.db2.gz OQHWXJBJTNEOMT-RZTXVSJASA-N 2 1 392.543 3.847 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)o1 ZINC001235367732 1040861506 /nfs/dbraw/zinc/86/15/06/1040861506.db2.gz JNHRGZNWFFWUJH-YYFZDKIDSA-N 2 1 392.421 3.918 20 0 GHADMP CC(=O)N(C(C)C)C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150044 1040866970 /nfs/dbraw/zinc/86/69/70/1040866970.db2.gz KZURQUDDINCDJI-BKFWDETESA-N 2 1 383.580 3.903 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255149731 1040867831 /nfs/dbraw/zinc/86/78/31/1040867831.db2.gz IUGLZEKLQHTZDT-NUNAXRQHSA-N 2 1 398.595 3.698 20 0 GHADMP CCN1CCc2ccc(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)cc21 ZINC001235369137 1040868459 /nfs/dbraw/zinc/86/84/59/1040868459.db2.gz QPNZWLTVKJSPTE-UKILVPOCSA-N 2 1 375.560 3.822 20 0 GHADMP CC(C)CC(=O)N1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255151234 1040872045 /nfs/dbraw/zinc/87/20/45/1040872045.db2.gz UNTQDKXQOJMUIA-JKHIJQBDSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)CC(=O)N1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255151234 1040872057 /nfs/dbraw/zinc/87/20/57/1040872057.db2.gz UNTQDKXQOJMUIA-JKHIJQBDSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)CC(=O)N1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255151234 1040872072 /nfs/dbraw/zinc/87/20/72/1040872072.db2.gz UNTQDKXQOJMUIA-JKHIJQBDSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)CC(=O)N1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255151234 1040872086 /nfs/dbraw/zinc/87/20/86/1040872086.db2.gz UNTQDKXQOJMUIA-JKHIJQBDSA-N 2 1 383.580 3.762 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151265 1040875559 /nfs/dbraw/zinc/87/55/59/1040875559.db2.gz VGWIWNHFBJRCSU-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151265 1040875567 /nfs/dbraw/zinc/87/55/67/1040875567.db2.gz VGWIWNHFBJRCSU-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151265 1040875571 /nfs/dbraw/zinc/87/55/71/1040875571.db2.gz VGWIWNHFBJRCSU-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151265 1040875575 /nfs/dbraw/zinc/87/55/75/1040875575.db2.gz VGWIWNHFBJRCSU-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)ccc2[nH]1 ZINC001235374987 1040886535 /nfs/dbraw/zinc/88/65/35/1040886535.db2.gz KPQSWPOVYQKQTG-YKSBVNFPSA-N 2 1 389.499 3.534 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(Br)c1 ZINC001235377879 1040892616 /nfs/dbraw/zinc/89/26/16/1040892616.db2.gz FOGGFOWDRNQQII-YQVWRLOYSA-N 2 1 379.342 3.525 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@H+](Cc2cccc(-c4ccccn4)n2)CC3)cc1 ZINC001235379550 1040899746 /nfs/dbraw/zinc/89/97/46/1040899746.db2.gz HCWRNYISIMZTAA-BWKNWUBXSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2cccc(-c4ccccn4)n2)CC3)cc1 ZINC001235379550 1040899763 /nfs/dbraw/zinc/89/97/63/1040899763.db2.gz HCWRNYISIMZTAA-BWKNWUBXSA-N 2 1 384.527 3.897 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC001255199618 1040902665 /nfs/dbraw/zinc/90/26/65/1040902665.db2.gz XMROROGMNAKJRA-MZADTFQBSA-N 2 1 385.552 3.783 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001235407422 1040919190 /nfs/dbraw/zinc/91/91/90/1040919190.db2.gz SEDDVKPDJXAPKP-HKUYNNGSSA-N 2 1 395.931 3.899 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001235407422 1040919194 /nfs/dbraw/zinc/91/91/94/1040919194.db2.gz SEDDVKPDJXAPKP-HKUYNNGSSA-N 2 1 395.931 3.899 20 0 GHADMP Brc1cnc2[nH]cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235424316 1040926181 /nfs/dbraw/zinc/92/61/81/1040926181.db2.gz GVXMKUBEIIYPJD-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccnc2[nH]cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC001235426837 1040927402 /nfs/dbraw/zinc/92/74/02/1040927402.db2.gz LTXKNSVZXPDJPG-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(=O)C(C)C ZINC001235428421 1040929526 /nfs/dbraw/zinc/92/95/26/1040929526.db2.gz OIIBDXKYXGDPNE-WOJBJXKFSA-N 2 1 388.552 3.858 20 0 GHADMP Clc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429799 1040931344 /nfs/dbraw/zinc/93/13/44/1040931344.db2.gz RMAKSEUUABDQPP-HOTGVXAUSA-N 2 1 383.005 3.998 20 0 GHADMP Brc1cccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)oc21 ZINC001235430141 1040931547 /nfs/dbraw/zinc/93/15/47/1040931547.db2.gz FLNAUHNGPBRZSE-UONOGXRCSA-N 2 1 378.314 3.802 20 0 GHADMP Brc1cccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)oc21 ZINC001235430141 1040931549 /nfs/dbraw/zinc/93/15/49/1040931549.db2.gz FLNAUHNGPBRZSE-UONOGXRCSA-N 2 1 378.314 3.802 20 0 GHADMP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431198 1040932725 /nfs/dbraw/zinc/93/27/25/1040932725.db2.gz MQBNVSHHCRNTDR-HOTGVXAUSA-N 2 1 381.358 3.978 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001255352267 1040957241 /nfs/dbraw/zinc/95/72/41/1040957241.db2.gz JULVDERQQBNGNP-ZUBJEWALSA-N 2 1 390.527 3.685 20 0 GHADMP Clc1cc2c(C[N@H+]3C[C@H]4CCN(Cc5ccncc5)C[C@H]4C3)c[nH]c2cn1 ZINC001235506763 1040966849 /nfs/dbraw/zinc/96/68/49/1040966849.db2.gz QIWIDPWBFLHSRA-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cc2c(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c[nH]c2cn1 ZINC001235506763 1040966853 /nfs/dbraw/zinc/96/68/53/1040966853.db2.gz QIWIDPWBFLHSRA-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cc2c(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c[nH]c2cn1 ZINC001235506763 1040966864 /nfs/dbraw/zinc/96/68/64/1040966864.db2.gz QIWIDPWBFLHSRA-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cc2c(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c[nH]c2cn1 ZINC001235506763 1040966870 /nfs/dbraw/zinc/96/68/70/1040966870.db2.gz QIWIDPWBFLHSRA-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1cc2c(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c[nH]c2cn1 ZINC001235506763 1040966872 /nfs/dbraw/zinc/96/68/72/1040966872.db2.gz QIWIDPWBFLHSRA-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384572 1040974958 /nfs/dbraw/zinc/97/49/58/1040974958.db2.gz ZEYKEYRYGOZYFC-QHCPKHFHSA-N 2 1 380.532 3.937 20 0 GHADMP O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255389230 1040976944 /nfs/dbraw/zinc/97/69/44/1040976944.db2.gz CTLBVGIWCKFVEA-DHIUTWEWSA-N 2 1 377.532 3.545 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255390342 1040977701 /nfs/dbraw/zinc/97/77/01/1040977701.db2.gz BBQAKTFUHHVBSJ-CXSMSNRLSA-N 3 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255390342 1040977720 /nfs/dbraw/zinc/97/77/20/1040977720.db2.gz BBQAKTFUHHVBSJ-CXSMSNRLSA-N 2 1 375.560 3.761 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC001255392836 1040981848 /nfs/dbraw/zinc/98/18/48/1040981848.db2.gz ISALWYIGHMJADS-JOCHJYFZSA-N 2 1 377.532 3.610 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc4c(c2)C[NH2+]C4)C3)c1 ZINC001235547910 1040982623 /nfs/dbraw/zinc/98/26/23/1040982623.db2.gz RLQZWRICIVFLBR-RPWUZVMVSA-N 2 1 377.532 3.812 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399373 1040985286 /nfs/dbraw/zinc/98/52/86/1040985286.db2.gz QVBXPOHIXNTAEJ-IPMKNSEASA-N 2 1 388.449 3.768 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399373 1040985288 /nfs/dbraw/zinc/98/52/88/1040985288.db2.gz QVBXPOHIXNTAEJ-IPMKNSEASA-N 2 1 388.449 3.768 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001255399373 1040985292 /nfs/dbraw/zinc/98/52/92/1040985292.db2.gz QVBXPOHIXNTAEJ-IPMKNSEASA-N 2 1 388.449 3.768 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255401660 1040988341 /nfs/dbraw/zinc/98/83/41/1040988341.db2.gz KEEHWGYHXFDXPR-HYBUGGRVSA-N 2 1 375.516 3.637 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255401660 1040988347 /nfs/dbraw/zinc/98/83/47/1040988347.db2.gz KEEHWGYHXFDXPR-HYBUGGRVSA-N 2 1 375.516 3.637 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255401660 1040988354 /nfs/dbraw/zinc/98/83/54/1040988354.db2.gz KEEHWGYHXFDXPR-HYBUGGRVSA-N 2 1 375.516 3.637 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255402584 1040988431 /nfs/dbraw/zinc/98/84/31/1040988431.db2.gz JUBCQUJUTQFFGR-UPVQGACJSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402584 1040988439 /nfs/dbraw/zinc/98/84/39/1040988439.db2.gz JUBCQUJUTQFFGR-UPVQGACJSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402584 1040988441 /nfs/dbraw/zinc/98/84/41/1040988441.db2.gz JUBCQUJUTQFFGR-UPVQGACJSA-N 2 1 383.580 3.764 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402475 1040989197 /nfs/dbraw/zinc/98/91/97/1040989197.db2.gz JLSUZGKTJGDWSF-VXNXHJTFSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402475 1040989200 /nfs/dbraw/zinc/98/92/00/1040989200.db2.gz JLSUZGKTJGDWSF-VXNXHJTFSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402475 1040989203 /nfs/dbraw/zinc/98/92/03/1040989203.db2.gz JLSUZGKTJGDWSF-VXNXHJTFSA-N 2 1 384.564 3.701 20 0 GHADMP C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404949 1040991953 /nfs/dbraw/zinc/99/19/53/1040991953.db2.gz LTAOQHHIICZPOL-NHCUHLMSSA-N 2 1 387.568 3.982 20 0 GHADMP C[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404949 1040991955 /nfs/dbraw/zinc/99/19/55/1040991955.db2.gz LTAOQHHIICZPOL-NHCUHLMSSA-N 2 1 387.568 3.982 20 0 GHADMP C[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404949 1040991963 /nfs/dbraw/zinc/99/19/63/1040991963.db2.gz LTAOQHHIICZPOL-NHCUHLMSSA-N 2 1 387.568 3.982 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CCN([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255406788 1040993801 /nfs/dbraw/zinc/99/38/01/1040993801.db2.gz UFOGCPPQQPFUTI-XMMPIXPASA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255406788 1040993806 /nfs/dbraw/zinc/99/38/06/1040993806.db2.gz UFOGCPPQQPFUTI-XMMPIXPASA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406788 1040993809 /nfs/dbraw/zinc/99/38/09/1040993809.db2.gz UFOGCPPQQPFUTI-XMMPIXPASA-N 2 1 385.596 3.616 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255409044 1040995924 /nfs/dbraw/zinc/99/59/24/1040995924.db2.gz FHILXBKWHYSHMG-OAQYLSRUSA-N 2 1 395.547 3.988 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255408891 1040996044 /nfs/dbraw/zinc/99/60/44/1040996044.db2.gz DTNMMDWVYCKYLB-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255408891 1040996049 /nfs/dbraw/zinc/99/60/49/1040996049.db2.gz DTNMMDWVYCKYLB-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255408891 1040996050 /nfs/dbraw/zinc/99/60/50/1040996050.db2.gz DTNMMDWVYCKYLB-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Fc1cccc(CN2CC[C@@]23CCC[N@@H+](Cc2cc4c(s2)CC[NH2+]C4)C3)c1 ZINC001235628208 1041058593 /nfs/dbraw/zinc/05/85/93/1041058593.db2.gz GYWWANJCHGCREN-JOCHJYFZSA-N 2 1 385.552 3.773 20 0 GHADMP c1cc2c(cc1C[N@@H+]1CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C1)C[NH2+]CC2 ZINC001235632956 1041065418 /nfs/dbraw/zinc/06/54/18/1041065418.db2.gz UUYKUASLUOERBR-BJKOFHAPSA-N 2 1 384.564 3.663 20 0 GHADMP Brc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)nc1 ZINC001462518517 1070320806 /nfs/dbraw/zinc/32/08/06/1070320806.db2.gz WAETWUZRFFHATG-DBVUQKKJSA-N 2 1 386.337 3.987 20 0 GHADMP Brc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc1 ZINC001462518517 1070320823 /nfs/dbraw/zinc/32/08/23/1070320823.db2.gz WAETWUZRFFHATG-DBVUQKKJSA-N 2 1 386.337 3.987 20 0 GHADMP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235688414 1041157431 /nfs/dbraw/zinc/15/74/31/1041157431.db2.gz PUTBIEIAPOOFLS-FQEVSTJZSA-N 2 1 391.515 3.797 20 0 GHADMP Cc1cc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)ccc1Oc1ccc(F)cc1 ZINC001235700569 1041178340 /nfs/dbraw/zinc/17/83/40/1041178340.db2.gz AEIQHLVFGWTEIW-UHFFFAOYSA-N 2 1 383.511 3.796 20 0 GHADMP Brc1ccc2n[nH]c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)c2c1 ZINC001235702911 1041181390 /nfs/dbraw/zinc/18/13/90/1041181390.db2.gz WNBFMUZNTQFEBI-UHFFFAOYSA-N 2 1 377.330 3.537 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001235711680 1041195005 /nfs/dbraw/zinc/19/50/05/1041195005.db2.gz ZDRZZZOWBHZUKV-YPMHNXCESA-N 2 1 393.247 3.731 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001235711680 1041195014 /nfs/dbraw/zinc/19/50/14/1041195014.db2.gz ZDRZZZOWBHZUKV-YPMHNXCESA-N 2 1 393.247 3.731 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001235711680 1041195024 /nfs/dbraw/zinc/19/50/24/1041195024.db2.gz ZDRZZZOWBHZUKV-YPMHNXCESA-N 2 1 393.247 3.731 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@@H]2C1 ZINC001235711680 1041195049 /nfs/dbraw/zinc/19/50/49/1041195049.db2.gz ZDRZZZOWBHZUKV-YPMHNXCESA-N 2 1 393.247 3.731 20 0 GHADMP COCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001255671872 1041204476 /nfs/dbraw/zinc/20/44/76/1041204476.db2.gz WNUXLGYEOUWFES-ALOPSCKCSA-N 2 1 386.458 3.836 20 0 GHADMP COc1cccc([C@H]2CCCC[N@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001235728067 1041212818 /nfs/dbraw/zinc/21/28/18/1041212818.db2.gz YCTOMHYWQFBXNU-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710924 1041236040 /nfs/dbraw/zinc/23/60/40/1041236040.db2.gz BJVFFZWBVWKFRY-UAFMIMERSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710924 1041236044 /nfs/dbraw/zinc/23/60/44/1041236044.db2.gz BJVFFZWBVWKFRY-UAFMIMERSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710924 1041236058 /nfs/dbraw/zinc/23/60/58/1041236058.db2.gz BJVFFZWBVWKFRY-UAFMIMERSA-N 2 1 397.485 3.725 20 0 GHADMP Cn1ccc(C[N@@H+]2CCCC23CCN([C@H]2CCC[C@H](C(F)(F)F)C2)CC3)n1 ZINC001255716542 1041242833 /nfs/dbraw/zinc/24/28/33/1041242833.db2.gz MVZAIIPXJHHULT-WMZOPIPTSA-N 2 1 384.490 3.972 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255870120 1041359285 /nfs/dbraw/zinc/35/92/85/1041359285.db2.gz IGNRXLRFAFVQPL-XXBNENTESA-N 2 1 397.538 3.907 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001255903096 1041384351 /nfs/dbraw/zinc/38/43/51/1041384351.db2.gz DHAXGRPFALXRIZ-GOSISDBHSA-N 2 1 393.959 3.989 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3sc(C)nc3c1)C2 ZINC001235860077 1041389602 /nfs/dbraw/zinc/38/96/02/1041389602.db2.gz IRYGWAGNZIWZQR-KNQAVFIVSA-N 2 1 385.577 3.785 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3sc(C)nc3c1)C2 ZINC001235860077 1041389615 /nfs/dbraw/zinc/38/96/15/1041389615.db2.gz IRYGWAGNZIWZQR-KNQAVFIVSA-N 2 1 385.577 3.785 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3sc(C)nc3c1)C2 ZINC001235860077 1041389624 /nfs/dbraw/zinc/38/96/24/1041389624.db2.gz IRYGWAGNZIWZQR-KNQAVFIVSA-N 2 1 385.577 3.785 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3sc(C)nc3c1)C2 ZINC001235860077 1041389632 /nfs/dbraw/zinc/38/96/32/1041389632.db2.gz IRYGWAGNZIWZQR-KNQAVFIVSA-N 2 1 385.577 3.785 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235865526 1041398626 /nfs/dbraw/zinc/39/86/26/1041398626.db2.gz CNWCGCLJIKQIAX-NBGIEHNGSA-N 2 1 393.575 3.597 20 0 GHADMP [NH3+]CCNC(=O)c1cccc(C[N@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001235883125 1041408737 /nfs/dbraw/zinc/40/87/37/1041408737.db2.gz XHAWWMCFKJJGJH-QGZVFWFLSA-N 2 1 392.330 3.671 20 0 GHADMP CC(C)Oc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)cn1 ZINC001235889370 1041415290 /nfs/dbraw/zinc/41/52/90/1041415290.db2.gz VMYNECDGORQKEO-QGZVFWFLSA-N 2 1 382.346 3.595 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001255959354 1041438759 /nfs/dbraw/zinc/43/87/59/1041438759.db2.gz KZTUAZSZSWGYCV-FQEVSTJZSA-N 2 1 391.575 3.613 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001255959354 1041438760 /nfs/dbraw/zinc/43/87/60/1041438760.db2.gz KZTUAZSZSWGYCV-FQEVSTJZSA-N 2 1 391.575 3.613 20 0 GHADMP COCCC[N@@H+](Cc1cn(C)c2ccc(Br)cc12)C1CC[NH2+]CC1 ZINC001235936488 1041441471 /nfs/dbraw/zinc/44/14/71/1041441471.db2.gz CIOFHVYANVHGJN-UHFFFAOYSA-N 2 1 394.357 3.531 20 0 GHADMP c1c(C2CC[NH2+]CC2)nn2cc(C[N@H+]3CCC[C@@H](c4ccccc4)CC3)cnc12 ZINC001235960746 1041469983 /nfs/dbraw/zinc/46/99/83/1041469983.db2.gz XHOXXJGYXWIVLA-OAQYLSRUSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC001256061282 1041500552 /nfs/dbraw/zinc/50/05/52/1041500552.db2.gz XUQOPJATPYSWKB-VABKMULXSA-N 2 1 391.563 3.556 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC001256061282 1041500570 /nfs/dbraw/zinc/50/05/70/1041500570.db2.gz XUQOPJATPYSWKB-VABKMULXSA-N 2 1 391.563 3.556 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC001256061282 1041500581 /nfs/dbraw/zinc/50/05/81/1041500581.db2.gz XUQOPJATPYSWKB-VABKMULXSA-N 2 1 391.563 3.556 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236012410 1041504417 /nfs/dbraw/zinc/50/44/17/1041504417.db2.gz JYMBMSFDQIHWGM-DSITVLBTSA-N 2 1 375.560 3.514 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2c3ccccc3n(C)c2-c2ccccc2)CC1 ZINC001236066888 1041519323 /nfs/dbraw/zinc/51/93/23/1041519323.db2.gz PRMCSNYHTMKGSB-QFIPXVFZSA-N 2 1 391.515 3.558 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC001236069307 1041520313 /nfs/dbraw/zinc/52/03/13/1041520313.db2.gz ZQFIAAKDZHFOSF-NRFANRHFSA-N 2 1 377.488 3.547 20 0 GHADMP COc1cccc(C[C@H](C)[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001256162530 1041601500 /nfs/dbraw/zinc/60/15/00/1041601500.db2.gz BATCCVCYWFAXNE-NRFANRHFSA-N 2 1 394.559 3.993 20 0 GHADMP CCC[N@@H+](Cc1ccc(Cl)c(I)c1)C1CC[NH2+]CC1 ZINC001236184693 1041604468 /nfs/dbraw/zinc/60/44/68/1041604468.db2.gz LRLDCADFVJMLAH-UHFFFAOYSA-N 2 1 392.712 3.909 20 0 GHADMP [NH3+]C12CC(CC[N@@H+](Cc3ccccc3)[C@H]3CC(=O)N(Cc4ccccc4)C3)(C1)C2 ZINC001236314286 1041667362 /nfs/dbraw/zinc/66/73/62/1041667362.db2.gz KABFVJWNLOIEPD-BSSNWTCHSA-N 2 1 389.543 3.561 20 0 GHADMP FC(F)(F)Oc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236320558 1041670362 /nfs/dbraw/zinc/67/03/62/1041670362.db2.gz ITDDRHVQEWAVST-BETUJISGSA-N 2 1 393.247 3.779 20 0 GHADMP COc1cc(Br)cnc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373875 1041686123 /nfs/dbraw/zinc/68/61/23/1041686123.db2.gz MOTJASISZAWLJT-AWEZNQCLSA-N 2 1 382.346 3.597 20 0 GHADMP COc1cc(Br)cnc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373875 1041686125 /nfs/dbraw/zinc/68/61/25/1041686125.db2.gz MOTJASISZAWLJT-AWEZNQCLSA-N 2 1 382.346 3.597 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CC1 ZINC001236378384 1041689681 /nfs/dbraw/zinc/68/96/81/1041689681.db2.gz ZIFXJOMFZJAKNU-UHFFFAOYSA-N 3 1 394.401 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296713 1041689938 /nfs/dbraw/zinc/68/99/38/1041689938.db2.gz RESKYVWTQZLYIZ-RTWAWAEBSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296713 1041689940 /nfs/dbraw/zinc/68/99/40/1041689940.db2.gz RESKYVWTQZLYIZ-RTWAWAEBSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001256296713 1041689945 /nfs/dbraw/zinc/68/99/45/1041689945.db2.gz RESKYVWTQZLYIZ-RTWAWAEBSA-N 2 1 399.579 3.840 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2ccnc(OC(F)F)c2)CC2CC[NH2+]CC2)cc1 ZINC001236384748 1041692154 /nfs/dbraw/zinc/69/21/54/1041692154.db2.gz AUKUPWPTRRQABL-UHFFFAOYSA-N 2 1 379.426 3.824 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]nc2-c2cccs2)C2CC[NH2+]CC2)cc1 ZINC001236441918 1041713467 /nfs/dbraw/zinc/71/34/67/1041713467.db2.gz JMHNAVAYKRLSJS-UHFFFAOYSA-N 2 1 382.533 3.901 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2cccs2)C2CC[NH2+]CC2)cc1 ZINC001236441918 1041713474 /nfs/dbraw/zinc/71/34/74/1041713474.db2.gz JMHNAVAYKRLSJS-UHFFFAOYSA-N 2 1 382.533 3.901 20 0 GHADMP CCOc1cc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)ccc1OC ZINC001236442150 1041714405 /nfs/dbraw/zinc/71/44/05/1041714405.db2.gz XKPXZSMHZCTXGQ-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP CCOc1cc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)ccc1OC ZINC001236442150 1041714411 /nfs/dbraw/zinc/71/44/11/1041714411.db2.gz XKPXZSMHZCTXGQ-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP Clc1ccc(C[N@@H+](CC2CCC3(CC2)OCCO3)C2CC[NH2+]CC2)cc1 ZINC001236454366 1041719730 /nfs/dbraw/zinc/71/97/30/1041719730.db2.gz YLDSTUOKCWCJKB-UHFFFAOYSA-N 2 1 378.944 3.827 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OCc2ccccc2)c(F)c1)C1CC[NH2+]CC1 ZINC001236462245 1041724280 /nfs/dbraw/zinc/72/42/80/1041724280.db2.gz USZKDCGOOJYODK-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OCc2ccccc2)c(F)c1)C1CC[NH2+]CC1 ZINC001236462245 1041724282 /nfs/dbraw/zinc/72/42/82/1041724282.db2.gz USZKDCGOOJYODK-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP CCOC1CCC([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001256439061 1041732574 /nfs/dbraw/zinc/73/25/74/1041732574.db2.gz OEPYLHVHFQPBTP-FPPAHVCDSA-N 2 1 390.612 3.795 20 0 GHADMP CCOC1CCC([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001256439061 1041732579 /nfs/dbraw/zinc/73/25/79/1041732579.db2.gz OEPYLHVHFQPBTP-FPPAHVCDSA-N 2 1 390.612 3.795 20 0 GHADMP CCOC1CCC([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001256439061 1041732580 /nfs/dbraw/zinc/73/25/80/1041732580.db2.gz OEPYLHVHFQPBTP-FPPAHVCDSA-N 2 1 390.612 3.795 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256463453 1041743861 /nfs/dbraw/zinc/74/38/61/1041743861.db2.gz PMNSHLRMOOUPFB-APWZRJJASA-N 2 1 391.531 3.864 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC001236505358 1041744226 /nfs/dbraw/zinc/74/42/26/1041744226.db2.gz BYZHYMIUBROTBL-UHFFFAOYSA-N 3 1 399.554 3.829 20 0 GHADMP Cc1ccc(F)cc1C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC001236505358 1041744234 /nfs/dbraw/zinc/74/42/34/1041744234.db2.gz BYZHYMIUBROTBL-UHFFFAOYSA-N 3 1 399.554 3.829 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC001236509736 1041746731 /nfs/dbraw/zinc/74/67/31/1041746731.db2.gz QQEGVMXFDVGLEF-UHFFFAOYSA-N 2 1 393.547 3.993 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C1CC[NH2+]CC1 ZINC001236522155 1041752709 /nfs/dbraw/zinc/75/27/09/1041752709.db2.gz SVDFGTPWLYAJDA-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C1CC[NH2+]CC1 ZINC001236522155 1041752712 /nfs/dbraw/zinc/75/27/12/1041752712.db2.gz SVDFGTPWLYAJDA-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)ccc1O ZINC001236541402 1041756592 /nfs/dbraw/zinc/75/65/92/1041756592.db2.gz QISOOPCBDNNVER-IYARVYRRSA-N 2 1 386.467 3.590 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)ccc1Oc1ccc(F)cc1 ZINC001236623464 1041788730 /nfs/dbraw/zinc/78/87/30/1041788730.db2.gz UGXVBKIZXMVAIE-OAQYLSRUSA-N 2 1 383.511 3.924 20 0 GHADMP Fc1c(I)cccc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236638256 1041797714 /nfs/dbraw/zinc/79/77/14/1041797714.db2.gz XOWFKINVAFTYEZ-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP Fc1c(I)cccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236638256 1041797721 /nfs/dbraw/zinc/79/77/21/1041797721.db2.gz XOWFKINVAFTYEZ-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cccc(OC)c1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700598 1041840585 /nfs/dbraw/zinc/84/05/85/1041840585.db2.gz LXKACFBQARBTJL-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1[nH]nc2cc(F)ccc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711950 1041848610 /nfs/dbraw/zinc/84/86/10/1041848610.db2.gz XWCWNBAYXYDYOH-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP CS(=O)(=O)c1cc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1F ZINC001236767915 1041879680 /nfs/dbraw/zinc/87/96/80/1041879680.db2.gz KGWNGGDQZSKGJC-WGSAOQKQSA-N 2 1 396.572 3.881 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC(OCc4ccccc4)CC3)ccc2F)CC1 ZINC001236964751 1041971215 /nfs/dbraw/zinc/97/12/15/1041971215.db2.gz VNCBBZOHZVRHJV-UHFFFAOYSA-N 2 1 397.538 3.759 20 0 GHADMP COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236965534 1041972106 /nfs/dbraw/zinc/97/21/06/1041972106.db2.gz ALKVRIQZKOONNJ-OAQYLSRUSA-N 2 1 397.538 3.966 20 0 GHADMP COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236965534 1041972109 /nfs/dbraw/zinc/97/21/09/1041972109.db2.gz ALKVRIQZKOONNJ-OAQYLSRUSA-N 2 1 397.538 3.966 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCC[C@H](F)CC2)CC1 ZINC001237092153 1042031322 /nfs/dbraw/zinc/03/13/22/1042031322.db2.gz JMELUYSHBJQTFL-KRWDZBQOSA-N 2 1 384.337 3.525 20 0 GHADMP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3ccccc3N3CC[NH2+]CC3)CC[C@H]1N2 ZINC001237250157 1042106965 /nfs/dbraw/zinc/10/69/65/1042106965.db2.gz SQFAKQHDVAHZMP-TZIWHRDSSA-N 2 1 382.939 3.533 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001237263630 1042113324 /nfs/dbraw/zinc/11/33/24/1042113324.db2.gz DJZSXXJSNUHHPL-RPBOFIJWSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001237263630 1042113325 /nfs/dbraw/zinc/11/33/25/1042113325.db2.gz DJZSXXJSNUHHPL-RPBOFIJWSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@@H]3C2)cc1 ZINC001237263630 1042113328 /nfs/dbraw/zinc/11/33/28/1042113328.db2.gz DJZSXXJSNUHHPL-RPBOFIJWSA-N 3 1 375.560 3.676 20 0 GHADMP CCOC(=O)c1ccc(CCC[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237359492 1042168129 /nfs/dbraw/zinc/16/81/29/1042168129.db2.gz OVLXSJVOIJIBQS-UHFFFAOYSA-N 2 1 378.516 3.890 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2sccc2Oc2ccccc2)CCC12C[NH2+]C2 ZINC001237432006 1042205693 /nfs/dbraw/zinc/20/56/93/1042205693.db2.gz VMNWHMYIOLXFCY-QGZVFWFLSA-N 2 1 386.517 3.515 20 0 GHADMP CC(C)c1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)c1 ZINC001237458895 1042217324 /nfs/dbraw/zinc/21/73/24/1042217324.db2.gz QNLLQHUFYVGFPY-VJBWXMMDSA-N 2 1 381.568 3.775 20 0 GHADMP CC(C)c1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)c1 ZINC001237458895 1042217325 /nfs/dbraw/zinc/21/73/25/1042217325.db2.gz QNLLQHUFYVGFPY-VJBWXMMDSA-N 2 1 381.568 3.775 20 0 GHADMP CC(C)c1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001237458895 1042217327 /nfs/dbraw/zinc/21/73/27/1042217327.db2.gz QNLLQHUFYVGFPY-VJBWXMMDSA-N 2 1 381.568 3.775 20 0 GHADMP CC(C)c1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001237458895 1042217328 /nfs/dbraw/zinc/21/73/28/1042217328.db2.gz QNLLQHUFYVGFPY-VJBWXMMDSA-N 2 1 381.568 3.775 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001237476765 1042225371 /nfs/dbraw/zinc/22/53/71/1042225371.db2.gz CUWPGGWVPGAKNF-QHCPKHFHSA-N 2 1 380.532 3.746 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3CCn4c(C[N@H+](C)C(C)C)cnc4C3)cc21 ZINC001237876970 1042405756 /nfs/dbraw/zinc/40/57/56/1042405756.db2.gz KZLCTXDQXMCMNY-UHFFFAOYSA-N 2 1 393.579 3.740 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)cc21 ZINC001237879882 1042407574 /nfs/dbraw/zinc/40/75/74/1042407574.db2.gz YVASVNRLJJESKU-MBSDFSHPSA-N 2 1 383.536 3.787 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)cc21 ZINC001237879882 1042407577 /nfs/dbraw/zinc/40/75/77/1042407577.db2.gz YVASVNRLJJESKU-MBSDFSHPSA-N 2 1 383.536 3.787 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC001237901226 1042416234 /nfs/dbraw/zinc/41/62/34/1042416234.db2.gz UDWWQBBAASVAFR-IRXDYDNUSA-N 2 1 378.442 3.869 20 0 GHADMP CCOC[C@H]1CN(Cc2cccc3cncn32)Cc2cn(CC3CCCC3)nc21 ZINC001238105757 1042493388 /nfs/dbraw/zinc/49/33/88/1042493388.db2.gz UJUIWPSQYTVFMP-HXUWFJFHSA-N 2 1 393.535 3.857 20 0 GHADMP Fc1ccnc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001238232374 1042527095 /nfs/dbraw/zinc/52/70/95/1042527095.db2.gz PSLXSVKVFYYIIP-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP COc1cc(F)ccc1-c1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001238635631 1042665236 /nfs/dbraw/zinc/66/52/36/1042665236.db2.gz HNVLHGGKCGDGIT-UHFFFAOYSA-N 2 1 397.538 3.715 20 0 GHADMP CCC(CC)COC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001239318415 1042807940 /nfs/dbraw/zinc/80/79/40/1042807940.db2.gz OEKRCHKYVVXNPU-OAQYLSRUSA-N 2 1 387.568 3.651 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)nc1 ZINC001240119265 1042893545 /nfs/dbraw/zinc/89/35/45/1042893545.db2.gz JJFWCYGTXIULSR-QHCPKHFHSA-N 2 1 392.547 3.731 20 0 GHADMP [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2C2=CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001240388365 1042924870 /nfs/dbraw/zinc/92/48/70/1042924870.db2.gz AHPCIDXOWURHTE-HZCBDIJESA-N 2 1 389.543 3.976 20 0 GHADMP COc1ccc(-c2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)c(C[NH+](C)C)c1 ZINC001240596239 1042945513 /nfs/dbraw/zinc/94/55/13/1042945513.db2.gz KXAHHRZUHWAUDW-UHFFFAOYSA-N 2 1 379.548 3.660 20 0 GHADMP c1cc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001240860765 1042960246 /nfs/dbraw/zinc/96/02/46/1042960246.db2.gz BHRWWIRGSYOHLU-UHFFFAOYSA-N 2 1 378.516 3.806 20 0 GHADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001462674906 1070463180 /nfs/dbraw/zinc/46/31/80/1070463180.db2.gz ZXVLWBBFHAQCCS-SWBPCFCJSA-N 2 1 379.589 3.875 20 0 GHADMP CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC001291562803 1043345856 /nfs/dbraw/zinc/34/58/56/1043345856.db2.gz JARNQPNPFUVGNT-VQTJNVASSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001291562804 1043345902 /nfs/dbraw/zinc/34/59/02/1043345902.db2.gz JARNQPNPFUVGNT-WOJBJXKFSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256484417 1043420348 /nfs/dbraw/zinc/42/03/48/1043420348.db2.gz DSEJDXJFRFHKMD-MJGOQNOKSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256522421 1043447860 /nfs/dbraw/zinc/44/78/60/1043447860.db2.gz GWEWDXNZBVQZFU-KNQAVFIVSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256522421 1043447878 /nfs/dbraw/zinc/44/78/78/1043447878.db2.gz GWEWDXNZBVQZFU-KNQAVFIVSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@H]1C[C@H](n2nc(-c3ccccc3)nc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256525963 1043453535 /nfs/dbraw/zinc/45/35/35/1043453535.db2.gz HINBGSSRAYYFSZ-GHTZIAJQSA-N 2 1 375.520 3.672 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001256529610 1043458862 /nfs/dbraw/zinc/45/88/62/1043458862.db2.gz CVNRQKACEUDNQP-NFBKMPQASA-N 2 1 391.559 3.999 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256529610 1043458869 /nfs/dbraw/zinc/45/88/69/1043458869.db2.gz CVNRQKACEUDNQP-NFBKMPQASA-N 2 1 391.559 3.999 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccncc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530293 1043460161 /nfs/dbraw/zinc/46/01/61/1043460161.db2.gz BFSNAVRQXRYPMO-OFNKIYASSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccncc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256530293 1043460178 /nfs/dbraw/zinc/46/01/78/1043460178.db2.gz BFSNAVRQXRYPMO-OFNKIYASSA-N 2 1 379.548 3.816 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001291789738 1043468207 /nfs/dbraw/zinc/46/82/07/1043468207.db2.gz YOFPYZPTFORZQU-NRFANRHFSA-N 2 1 383.580 3.668 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256538225 1043484861 /nfs/dbraw/zinc/48/48/61/1043484861.db2.gz SCSITSUOUDHDOB-VCOUNFBDSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256538225 1043484869 /nfs/dbraw/zinc/48/48/69/1043484869.db2.gz SCSITSUOUDHDOB-VCOUNFBDSA-N 2 1 380.532 3.889 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541576 1043492882 /nfs/dbraw/zinc/49/28/82/1043492882.db2.gz MPBPBUFEFCPZIU-CTNGQTDRSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541576 1043492900 /nfs/dbraw/zinc/49/29/00/1043492900.db2.gz MPBPBUFEFCPZIU-CTNGQTDRSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541576 1043492909 /nfs/dbraw/zinc/49/29/09/1043492909.db2.gz MPBPBUFEFCPZIU-CTNGQTDRSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541576 1043492912 /nfs/dbraw/zinc/49/29/12/1043492912.db2.gz MPBPBUFEFCPZIU-CTNGQTDRSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256543230 1043500633 /nfs/dbraw/zinc/50/06/33/1043500633.db2.gz SFRFLXOIJVONJF-VXSCBNMQSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256543230 1043500651 /nfs/dbraw/zinc/50/06/51/1043500651.db2.gz SFRFLXOIJVONJF-VXSCBNMQSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256543230 1043500661 /nfs/dbraw/zinc/50/06/61/1043500661.db2.gz SFRFLXOIJVONJF-VXSCBNMQSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256543230 1043500672 /nfs/dbraw/zinc/50/06/72/1043500672.db2.gz SFRFLXOIJVONJF-VXSCBNMQSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC[N@@H+]1Cc1ccccc1 ZINC001256546656 1043507425 /nfs/dbraw/zinc/50/74/25/1043507425.db2.gz NGBCHQBDOYTYIR-ZJCBTPCYSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC[N@H+]1Cc1ccccc1 ZINC001256546656 1043507434 /nfs/dbraw/zinc/50/74/34/1043507434.db2.gz NGBCHQBDOYTYIR-ZJCBTPCYSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC[NH+]1Cc1ccccc1 ZINC001256546656 1043507440 /nfs/dbraw/zinc/50/74/40/1043507440.db2.gz NGBCHQBDOYTYIR-ZJCBTPCYSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC[NH+]1Cc1ccccc1 ZINC001256546656 1043507455 /nfs/dbraw/zinc/50/74/55/1043507455.db2.gz NGBCHQBDOYTYIR-ZJCBTPCYSA-N 2 1 389.543 3.660 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)CC[C@@H]21 ZINC001256547186 1043507564 /nfs/dbraw/zinc/50/75/64/1043507564.db2.gz RDGWUHOZBZXKOT-ADHNFCLRSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)CC[C@@H]21 ZINC001256547186 1043507569 /nfs/dbraw/zinc/50/75/69/1043507569.db2.gz RDGWUHOZBZXKOT-ADHNFCLRSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC[C@@H]21 ZINC001256547186 1043507580 /nfs/dbraw/zinc/50/75/80/1043507580.db2.gz RDGWUHOZBZXKOT-ADHNFCLRSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC[C@@H]21 ZINC001256547186 1043507592 /nfs/dbraw/zinc/50/75/92/1043507592.db2.gz RDGWUHOZBZXKOT-ADHNFCLRSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548683 1043510697 /nfs/dbraw/zinc/51/06/97/1043510697.db2.gz BZKVJTLTNVMDGF-NFBKMPQASA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548683 1043510704 /nfs/dbraw/zinc/51/07/04/1043510704.db2.gz BZKVJTLTNVMDGF-NFBKMPQASA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548542 1043510928 /nfs/dbraw/zinc/51/09/28/1043510928.db2.gz YRFZZARYBMAKRS-SJROBZAFSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256548542 1043510940 /nfs/dbraw/zinc/51/09/40/1043510940.db2.gz YRFZZARYBMAKRS-SJROBZAFSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548542 1043510949 /nfs/dbraw/zinc/51/09/49/1043510949.db2.gz YRFZZARYBMAKRS-SJROBZAFSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548542 1043510963 /nfs/dbraw/zinc/51/09/63/1043510963.db2.gz YRFZZARYBMAKRS-SJROBZAFSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CCN1Cc1ccccc1 ZINC001256550635 1043513959 /nfs/dbraw/zinc/51/39/59/1043513959.db2.gz MYOLRAKVDUBVBC-JFTIXFDTSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256550635 1043513970 /nfs/dbraw/zinc/51/39/70/1043513970.db2.gz MYOLRAKVDUBVBC-JFTIXFDTSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256550635 1043513976 /nfs/dbraw/zinc/51/39/76/1043513976.db2.gz MYOLRAKVDUBVBC-JFTIXFDTSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550635 1043513978 /nfs/dbraw/zinc/51/39/78/1043513978.db2.gz MYOLRAKVDUBVBC-JFTIXFDTSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550635 1043513988 /nfs/dbraw/zinc/51/39/88/1043513988.db2.gz MYOLRAKVDUBVBC-JFTIXFDTSA-N 2 1 384.564 3.700 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556704 1043527755 /nfs/dbraw/zinc/52/77/55/1043527755.db2.gz IOCGHPYBVDXPIJ-KSEOMHKRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556704 1043527759 /nfs/dbraw/zinc/52/77/59/1043527759.db2.gz IOCGHPYBVDXPIJ-KSEOMHKRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556704 1043527768 /nfs/dbraw/zinc/52/77/68/1043527768.db2.gz IOCGHPYBVDXPIJ-KSEOMHKRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556704 1043527775 /nfs/dbraw/zinc/52/77/75/1043527775.db2.gz IOCGHPYBVDXPIJ-KSEOMHKRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ccn1 ZINC001256557561 1043530739 /nfs/dbraw/zinc/53/07/39/1043530739.db2.gz MURZSQGFYAMMBR-PZJWPPBQSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ccn1 ZINC001256557561 1043530749 /nfs/dbraw/zinc/53/07/49/1043530749.db2.gz MURZSQGFYAMMBR-PZJWPPBQSA-N 2 1 395.547 3.987 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587229 1043556307 /nfs/dbraw/zinc/55/63/07/1043556307.db2.gz CDQJAEDWORPIJX-HYBUGGRVSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587229 1043556309 /nfs/dbraw/zinc/55/63/09/1043556309.db2.gz CDQJAEDWORPIJX-HYBUGGRVSA-N 2 1 378.564 3.546 20 0 GHADMP O=C1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC001256601296 1043564629 /nfs/dbraw/zinc/56/46/29/1043564629.db2.gz PZUSRDBFONVBSP-HSZRJFAPSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H](C)Cc4ccncc4)CC3)C2)cc1 ZINC001256742754 1043644892 /nfs/dbraw/zinc/64/48/92/1043644892.db2.gz PKFUBJORVSKZTF-OAQYLSRUSA-N 2 1 379.548 3.688 20 0 GHADMP Fc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278968789 1043701010 /nfs/dbraw/zinc/70/10/10/1043701010.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278968789 1043701020 /nfs/dbraw/zinc/70/10/20/1043701020.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c1 ZINC001278968789 1043701029 /nfs/dbraw/zinc/70/10/29/1043701029.db2.gz QYZIIGWJRNBRHV-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001256883216 1043720587 /nfs/dbraw/zinc/72/05/87/1043720587.db2.gz MAXNTNKJSHODRW-SFHVURJKSA-N 2 1 396.501 3.923 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001256883216 1043720599 /nfs/dbraw/zinc/72/05/99/1043720599.db2.gz MAXNTNKJSHODRW-SFHVURJKSA-N 2 1 396.501 3.923 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001292464583 1043747502 /nfs/dbraw/zinc/74/75/02/1043747502.db2.gz BMYMEKSJFBOVFF-SFHVURJKSA-N 2 1 386.367 3.758 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(Cl)c1Cl ZINC001292582484 1043795424 /nfs/dbraw/zinc/79/54/24/1043795424.db2.gz KOYPYQBTSRXVGR-HNNXBMFYSA-N 2 1 386.367 3.790 20 0 GHADMP CC(C)[C@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001257205439 1043935749 /nfs/dbraw/zinc/93/57/49/1043935749.db2.gz NRFSPORQYRTCLG-ZWKOTPCHSA-N 2 1 376.545 3.947 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001257212813 1043938509 /nfs/dbraw/zinc/93/85/09/1043938509.db2.gz AEZCFJPQNYZWHA-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001257212813 1043938513 /nfs/dbraw/zinc/93/85/13/1043938513.db2.gz AEZCFJPQNYZWHA-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP COCC[N@@H+](C1CCC(C2CCC3(CC2)OCCO3)CC1)C1CCN(C)CC1 ZINC001257498049 1044022756 /nfs/dbraw/zinc/02/27/56/1044022756.db2.gz UZYHVIWMEVDMNF-UHFFFAOYSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+](C)C1CCCC1 ZINC001293183281 1044054570 /nfs/dbraw/zinc/05/45/70/1044054570.db2.gz SPGXTQIUILXPAU-FYYLOGMGSA-N 2 1 385.596 3.771 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC001293183281 1044054585 /nfs/dbraw/zinc/05/45/85/1044054585.db2.gz SPGXTQIUILXPAU-FYYLOGMGSA-N 2 1 385.596 3.771 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC001293183281 1044054600 /nfs/dbraw/zinc/05/46/00/1044054600.db2.gz SPGXTQIUILXPAU-FYYLOGMGSA-N 2 1 385.596 3.771 20 0 GHADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)o1 ZINC001279029401 1044088219 /nfs/dbraw/zinc/08/82/19/1044088219.db2.gz AOXWMCBCYAKOEY-GASCZTMLSA-N 2 1 378.314 3.714 20 0 GHADMP CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001279042305 1044150783 /nfs/dbraw/zinc/15/07/83/1044150783.db2.gz WFXNUYNJMXHROH-UHFFFAOYSA-N 2 1 379.976 3.587 20 0 GHADMP CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001279042305 1044150797 /nfs/dbraw/zinc/15/07/97/1044150797.db2.gz WFXNUYNJMXHROH-UHFFFAOYSA-N 2 1 379.976 3.587 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001293504177 1044218201 /nfs/dbraw/zinc/21/82/01/1044218201.db2.gz JCCCVOWQIBEAJR-IBGZPJMESA-N 2 1 399.501 3.908 20 0 GHADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001293504177 1044218216 /nfs/dbraw/zinc/21/82/16/1044218216.db2.gz JCCCVOWQIBEAJR-IBGZPJMESA-N 2 1 399.501 3.908 20 0 GHADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001293504177 1044218228 /nfs/dbraw/zinc/21/82/28/1044218228.db2.gz JCCCVOWQIBEAJR-IBGZPJMESA-N 2 1 399.501 3.908 20 0 GHADMP COC(=O)C1CCC([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001257856199 1044223926 /nfs/dbraw/zinc/22/39/26/1044223926.db2.gz DWWPGJFNFCIPSV-UHFFFAOYSA-N 2 1 384.442 3.687 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](n2c[nH+]cc2CC[NH3+])C[C@@H]1Cc1ccccc1 ZINC001257967936 1044287500 /nfs/dbraw/zinc/28/75/00/1044287500.db2.gz CJNZOJSOEAGSFM-ICSRJNTNSA-N 2 1 384.524 3.568 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258012927 1044339682 /nfs/dbraw/zinc/33/96/82/1044339682.db2.gz IWXBIJWPEDDEMZ-JOCHJYFZSA-N 2 1 379.589 3.830 20 0 GHADMP CCOC(=O)CC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001258024554 1044350680 /nfs/dbraw/zinc/35/06/80/1044350680.db2.gz ZQRTXEOCOZBQCA-SOBISTDDSA-N 2 1 384.564 3.999 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258068100 1044379740 /nfs/dbraw/zinc/37/97/40/1044379740.db2.gz VPKMJUGDTKPQIB-WOJBJXKFSA-N 2 1 391.604 3.557 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)C2CC[NH+](CCc3ccccc3)CC2)[nH+]1 ZINC001258150052 1044441874 /nfs/dbraw/zinc/44/18/74/1044441874.db2.gz VOXNHMWMPHIUJY-UHFFFAOYSA-N 3 1 378.564 3.656 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401554 1044539023 /nfs/dbraw/zinc/53/90/23/1044539023.db2.gz NESAXUBNTQICRO-WNOPAQSVSA-N 2 1 386.580 3.697 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401554 1044539038 /nfs/dbraw/zinc/53/90/38/1044539038.db2.gz NESAXUBNTQICRO-WNOPAQSVSA-N 2 1 386.580 3.697 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401554 1044539055 /nfs/dbraw/zinc/53/90/55/1044539055.db2.gz NESAXUBNTQICRO-WNOPAQSVSA-N 2 1 386.580 3.697 20 0 GHADMP CCOC(=O)CC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001258494019 1044581007 /nfs/dbraw/zinc/58/10/07/1044581007.db2.gz FPSKHAJBLGGIBI-LJQANCHMSA-N 2 1 388.552 3.715 20 0 GHADMP CCCC1CCC([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001258527583 1044607404 /nfs/dbraw/zinc/60/74/04/1044607404.db2.gz JFDHMPYSDRHHFA-NBDWZHNGSA-N 2 1 379.589 3.876 20 0 GHADMP CCCC1CCC([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001258527583 1044607418 /nfs/dbraw/zinc/60/74/18/1044607418.db2.gz JFDHMPYSDRHHFA-NBDWZHNGSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258641244 1044683668 /nfs/dbraw/zinc/68/36/68/1044683668.db2.gz GIAJRKVTVRNORX-GBXCKJPGSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258641244 1044683673 /nfs/dbraw/zinc/68/36/73/1044683673.db2.gz GIAJRKVTVRNORX-GBXCKJPGSA-N 2 1 391.559 3.791 20 0 GHADMP COc1cc(C[C@@H](C)N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001258876883 1044824080 /nfs/dbraw/zinc/82/40/80/1044824080.db2.gz QIZBWMAIYBJNMT-QGZVFWFLSA-N 2 1 399.535 3.605 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001258880691 1044831818 /nfs/dbraw/zinc/83/18/18/1044831818.db2.gz ITMSCEAJXNXKAT-FQEVSTJZSA-N 2 1 381.564 3.554 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)Cc3ccccc3OC)CC2)cc1 ZINC001258884710 1044834204 /nfs/dbraw/zinc/83/42/04/1044834204.db2.gz YMLLYZOSKLPKGX-LJQANCHMSA-N 2 1 382.548 3.932 20 0 GHADMP COc1ccccc1C[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001258889588 1044841352 /nfs/dbraw/zinc/84/13/52/1044841352.db2.gz PBVUXTWSWFWJBX-FPOVZHCZSA-N 2 1 398.547 3.975 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC001258909517 1044863101 /nfs/dbraw/zinc/86/31/01/1044863101.db2.gz FYLOLAVQLQOSMX-WMZHIEFXSA-N 2 1 387.568 3.635 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001296188519 1045275942 /nfs/dbraw/zinc/27/59/42/1045275942.db2.gz LBEAGUFPIFNCGF-FYYLOGMGSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001296188519 1045275949 /nfs/dbraw/zinc/27/59/49/1045275949.db2.gz LBEAGUFPIFNCGF-FYYLOGMGSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001296188519 1045275957 /nfs/dbraw/zinc/27/59/57/1045275957.db2.gz LBEAGUFPIFNCGF-FYYLOGMGSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001296188519 1045275963 /nfs/dbraw/zinc/27/59/63/1045275963.db2.gz LBEAGUFPIFNCGF-FYYLOGMGSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001297915144 1045656557 /nfs/dbraw/zinc/65/65/57/1045656557.db2.gz SIMFWFSJTZUSEY-APWZRJJASA-N 2 1 391.943 3.768 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001297915148 1045656866 /nfs/dbraw/zinc/65/68/66/1045656866.db2.gz SIMFWFSJTZUSEY-QFBILLFUSA-N 2 1 391.943 3.768 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]4C[C@@H](C)C[N@@H+]4C3)CC2)cc1 ZINC001298695457 1045921058 /nfs/dbraw/zinc/92/10/58/1045921058.db2.gz CICDDRZZOUQKKW-OIBXWCBGSA-N 2 1 383.580 3.575 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]4C[C@@H](C)C[N@H+]4C3)CC2)cc1 ZINC001298695457 1045921068 /nfs/dbraw/zinc/92/10/68/1045921068.db2.gz CICDDRZZOUQKKW-OIBXWCBGSA-N 2 1 383.580 3.575 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262257831 1046222323 /nfs/dbraw/zinc/22/23/23/1046222323.db2.gz UDTLZNYBTQAYEV-MKXGPGLRSA-N 2 1 379.589 3.922 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)ccn1 ZINC001263648285 1047019681 /nfs/dbraw/zinc/01/96/81/1047019681.db2.gz NLIXSPWOAQNLPY-INIZCTEOSA-N 2 1 384.528 3.506 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382799071 1047062291 /nfs/dbraw/zinc/06/22/91/1047062291.db2.gz ZSKGFEVPUQDAIK-QGZVFWFLSA-N 2 1 388.353 3.985 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382799071 1047062303 /nfs/dbraw/zinc/06/23/03/1047062303.db2.gz ZSKGFEVPUQDAIK-QGZVFWFLSA-N 2 1 388.353 3.985 20 0 GHADMP C[NH+](Cc1ccc(Br)cc1N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382799071 1047062317 /nfs/dbraw/zinc/06/23/17/1047062317.db2.gz ZSKGFEVPUQDAIK-QGZVFWFLSA-N 2 1 388.353 3.985 20 0 GHADMP C[NH+](Cc1ccc(Br)cc1N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382799071 1047062330 /nfs/dbraw/zinc/06/23/30/1047062330.db2.gz ZSKGFEVPUQDAIK-QGZVFWFLSA-N 2 1 388.353 3.985 20 0 GHADMP CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C(C)(C)C1 ZINC001304042573 1047569819 /nfs/dbraw/zinc/56/98/19/1047569819.db2.gz KJCHYRXCOPTXBI-VSKRKVRLSA-N 2 1 385.596 3.627 20 0 GHADMP CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C(C)(C)C1 ZINC001304042573 1047569823 /nfs/dbraw/zinc/56/98/23/1047569823.db2.gz KJCHYRXCOPTXBI-VSKRKVRLSA-N 2 1 385.596 3.627 20 0 GHADMP CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C(C)(C)C1 ZINC001304042573 1047569833 /nfs/dbraw/zinc/56/98/33/1047569833.db2.gz KJCHYRXCOPTXBI-VSKRKVRLSA-N 2 1 385.596 3.627 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1 ZINC001279145136 1047730543 /nfs/dbraw/zinc/73/05/43/1047730543.db2.gz IQKFGMVUUGJOQW-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]c4nccc(Br)c34)CC2)C1 ZINC001279165037 1047734548 /nfs/dbraw/zinc/73/45/48/1047734548.db2.gz HUXNFFTVWKSBNY-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1Br ZINC001279363327 1047780519 /nfs/dbraw/zinc/78/05/19/1047780519.db2.gz TVUHLZNOWWRBHH-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP Brc1cncc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279385493 1047788925 /nfs/dbraw/zinc/78/89/25/1047788925.db2.gz YKLOLPWIEHWGDL-CALCHBBNSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1cncc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279385493 1047788926 /nfs/dbraw/zinc/78/89/26/1047788926.db2.gz YKLOLPWIEHWGDL-CALCHBBNSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1cncc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279385493 1047788932 /nfs/dbraw/zinc/78/89/32/1047788932.db2.gz YKLOLPWIEHWGDL-CALCHBBNSA-N 2 1 378.358 3.931 20 0 GHADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccc(Cl)o4)CC3)C2)n(C)n1 ZINC001279483338 1047821552 /nfs/dbraw/zinc/82/15/52/1047821552.db2.gz TXPCLEXAVVZZSS-UHFFFAOYSA-N 2 1 376.932 3.853 20 0 GHADMP Cc1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccc(Cl)o4)CC3)C2)n(C)n1 ZINC001279483338 1047821557 /nfs/dbraw/zinc/82/15/57/1047821557.db2.gz TXPCLEXAVVZZSS-UHFFFAOYSA-N 2 1 376.932 3.853 20 0 GHADMP CCCc1ccc(C[NH+]2CCC3(CCC[N@H+](COCCOC)C3)CC2)s1 ZINC001279583179 1047855425 /nfs/dbraw/zinc/85/54/25/1047855425.db2.gz SDCJAOCGURVCLA-UHFFFAOYSA-N 2 1 380.598 3.999 20 0 GHADMP CCCc1ccc(C[NH+]2CCC3(CCC[N@@H+](COCCOC)C3)CC2)s1 ZINC001279583179 1047855439 /nfs/dbraw/zinc/85/54/39/1047855439.db2.gz SDCJAOCGURVCLA-UHFFFAOYSA-N 2 1 380.598 3.999 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CCCc1ccc(Cl)cc1)CC2 ZINC001279632301 1047878780 /nfs/dbraw/zinc/87/87/80/1047878780.db2.gz NDQRSWQJWIBDFR-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](CCCc1ccc(Cl)cc1)CC2 ZINC001279632301 1047878795 /nfs/dbraw/zinc/87/87/95/1047878795.db2.gz NDQRSWQJWIBDFR-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP CCOC(=O)CCCC[N@H+]1CCC[C@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280157305 1048109831 /nfs/dbraw/zinc/10/98/31/1048109831.db2.gz XMXQCDFVVZGZPZ-SFHVURJKSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCCC[NH+]1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280157305 1048109841 /nfs/dbraw/zinc/10/98/41/1048109841.db2.gz XMXQCDFVVZGZPZ-SFHVURJKSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCCC[NH+]1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280157305 1048109849 /nfs/dbraw/zinc/10/98/49/1048109849.db2.gz XMXQCDFVVZGZPZ-SFHVURJKSA-N 2 1 378.479 3.850 20 0 GHADMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001280223957 1048132456 /nfs/dbraw/zinc/13/24/56/1048132456.db2.gz OFWXYZSJLMGQMW-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001280223957 1048132460 /nfs/dbraw/zinc/13/24/60/1048132460.db2.gz OFWXYZSJLMGQMW-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001280223957 1048132465 /nfs/dbraw/zinc/13/24/65/1048132465.db2.gz OFWXYZSJLMGQMW-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP C[C@@H]1SCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC001307472400 1049308323 /nfs/dbraw/zinc/30/83/23/1049308323.db2.gz MUVBBNNUBXZHIX-AVCGJXAMSA-N 2 1 397.588 3.584 20 0 GHADMP C[C@@H]1SCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC001307472400 1049308334 /nfs/dbraw/zinc/30/83/34/1049308334.db2.gz MUVBBNNUBXZHIX-AVCGJXAMSA-N 2 1 397.588 3.584 20 0 GHADMP CCOCC[C@H](O)C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001307824927 1049618592 /nfs/dbraw/zinc/61/85/92/1049618592.db2.gz BYJSUXMVUASVKC-ZEQRLZLVSA-N 2 1 388.596 3.931 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC001307948603 1049717490 /nfs/dbraw/zinc/71/74/90/1049717490.db2.gz FTUAANUBRHFPQN-GOTSBHOMSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC001307948603 1049717502 /nfs/dbraw/zinc/71/75/02/1049717502.db2.gz FTUAANUBRHFPQN-GOTSBHOMSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)CC2)cc1 ZINC001307948603 1049717511 /nfs/dbraw/zinc/71/75/11/1049717511.db2.gz FTUAANUBRHFPQN-GOTSBHOMSA-N 2 1 383.580 3.684 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955764 1049720752 /nfs/dbraw/zinc/72/07/52/1049720752.db2.gz WMODAHSTGXAIJF-UGKGYDQZSA-N 2 1 387.568 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955764 1049720762 /nfs/dbraw/zinc/72/07/62/1049720762.db2.gz WMODAHSTGXAIJF-UGKGYDQZSA-N 2 1 387.568 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955764 1049720765 /nfs/dbraw/zinc/72/07/65/1049720765.db2.gz WMODAHSTGXAIJF-UGKGYDQZSA-N 2 1 387.568 3.583 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC001290153670 1049747659 /nfs/dbraw/zinc/74/76/59/1049747659.db2.gz MWRCNVWADVVOTJ-SFTDATJTSA-N 2 1 391.559 3.793 20 0 GHADMP C[C@H]1C[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308038663 1049789753 /nfs/dbraw/zinc/78/97/53/1049789753.db2.gz AKGIEPRMSBUUPH-RBUKOAKNSA-N 2 1 388.556 3.629 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001308246000 1049924702 /nfs/dbraw/zinc/92/47/02/1049924702.db2.gz CCDDMUOFFRHYNK-VTZPFEBOSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001308246000 1049924706 /nfs/dbraw/zinc/92/47/06/1049924706.db2.gz CCDDMUOFFRHYNK-VTZPFEBOSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001308246000 1049924707 /nfs/dbraw/zinc/92/47/07/1049924707.db2.gz CCDDMUOFFRHYNK-VTZPFEBOSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001308246000 1049924713 /nfs/dbraw/zinc/92/47/13/1049924713.db2.gz CCDDMUOFFRHYNK-VTZPFEBOSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001308246000 1049924714 /nfs/dbraw/zinc/92/47/14/1049924714.db2.gz CCDDMUOFFRHYNK-VTZPFEBOSA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+](C)[C@H]1CCN(c2ccc(NCC(C)(C)C[N@@H+](C)Cc3ccccc3)nc2)C1 ZINC001308337511 1049952360 /nfs/dbraw/zinc/95/23/60/1049952360.db2.gz KWWKERSGDDWWJE-QFIPXVFZSA-N 2 1 395.595 3.792 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001308389993 1049964741 /nfs/dbraw/zinc/96/47/41/1049964741.db2.gz JFIOTEHMOJBANK-JOCHJYFZSA-N 2 1 391.559 3.711 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nccc4c3CCCC4)CC2)CC1 ZINC001308599197 1050026338 /nfs/dbraw/zinc/02/63/38/1050026338.db2.gz WZHHZYJXQGQEBF-UHFFFAOYSA-N 2 1 384.612 3.589 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601810 1050027162 /nfs/dbraw/zinc/02/71/62/1050027162.db2.gz XGCAEKLOYYLUEE-CABCVRRESA-N 2 1 381.483 3.638 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601810 1050027167 /nfs/dbraw/zinc/02/71/67/1050027167.db2.gz XGCAEKLOYYLUEE-CABCVRRESA-N 2 1 381.483 3.638 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601810 1050027172 /nfs/dbraw/zinc/02/71/72/1050027172.db2.gz XGCAEKLOYYLUEE-CABCVRRESA-N 2 1 381.483 3.638 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601810 1050027178 /nfs/dbraw/zinc/02/71/78/1050027178.db2.gz XGCAEKLOYYLUEE-CABCVRRESA-N 2 1 381.483 3.638 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601810 1050027185 /nfs/dbraw/zinc/02/71/85/1050027185.db2.gz XGCAEKLOYYLUEE-CABCVRRESA-N 2 1 381.483 3.638 20 0 GHADMP C[N@H+](CCN1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1)Cc1ccccc1 ZINC001308615945 1050034034 /nfs/dbraw/zinc/03/40/34/1050034034.db2.gz OVTJKVOXODSFQT-UHFFFAOYSA-N 2 1 392.522 3.624 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2cnc3c(F)cccc3c2)CC1)Cc1ccccc1 ZINC001308615945 1050034036 /nfs/dbraw/zinc/03/40/36/1050034036.db2.gz OVTJKVOXODSFQT-UHFFFAOYSA-N 2 1 392.522 3.624 20 0 GHADMP CCOC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001308629153 1050039873 /nfs/dbraw/zinc/03/98/73/1050039873.db2.gz KTXNIOOUMDSKHN-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001308629153 1050039877 /nfs/dbraw/zinc/03/98/77/1050039877.db2.gz KTXNIOOUMDSKHN-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001308629153 1050039882 /nfs/dbraw/zinc/03/98/82/1050039882.db2.gz KTXNIOOUMDSKHN-JOCHJYFZSA-N 2 1 396.531 3.582 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001308682410 1050058295 /nfs/dbraw/zinc/05/82/95/1050058295.db2.gz UFPMIHAXCKIFEW-CEWLAPEOSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308730349 1050074557 /nfs/dbraw/zinc/07/45/57/1050074557.db2.gz RWSAEUXCHGCJKV-LJQANCHMSA-N 2 1 375.557 3.649 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001308976968 1050238353 /nfs/dbraw/zinc/23/83/53/1050238353.db2.gz FVYGQYRBQFRPGI-OUUBHVDSSA-N 2 1 379.589 3.684 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCC3(CC[NH2+]CC3)C2)C1 ZINC001328713563 1050601082 /nfs/dbraw/zinc/60/10/82/1050601082.db2.gz LTQZUEXNLQGOMW-FQEVSTJZSA-N 2 1 398.595 3.594 20 0 GHADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC001331789681 1051373513 /nfs/dbraw/zinc/37/35/13/1051373513.db2.gz DHZVEHRSFWLUOT-AWEZNQCLSA-N 2 1 385.405 3.955 20 0 GHADMP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001332431878 1051519628 /nfs/dbraw/zinc/51/96/28/1051519628.db2.gz NBFIMVBKIWDGCK-ZWKOTPCHSA-N 2 1 384.351 3.592 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C)c1Cl ZINC001310922169 1051707357 /nfs/dbraw/zinc/70/73/57/1051707357.db2.gz WUEVSHPHUPASBV-QGZVFWFLSA-N 2 1 380.964 3.837 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccnc(Cl)c3s2)C1 ZINC001334358200 1051934429 /nfs/dbraw/zinc/93/44/29/1051934429.db2.gz IOEZBNKRWAHQGL-KRWDZBQOSA-N 2 1 387.936 3.806 20 0 GHADMP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001311344442 1052039398 /nfs/dbraw/zinc/03/93/98/1052039398.db2.gz KVFVRGPOMZFDJR-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001311343772 1052039982 /nfs/dbraw/zinc/03/99/82/1052039982.db2.gz HLUHJVXLUUCQCK-UXHICEINSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001311397031 1052092480 /nfs/dbraw/zinc/09/24/80/1052092480.db2.gz COGPVDDKSTZEAT-KCZVDYSFSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311397031 1052092493 /nfs/dbraw/zinc/09/24/93/1052092493.db2.gz COGPVDDKSTZEAT-KCZVDYSFSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001311397031 1052092501 /nfs/dbraw/zinc/09/25/01/1052092501.db2.gz COGPVDDKSTZEAT-KCZVDYSFSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C(C)(C)C)C3)cc2)C1 ZINC001311498565 1052204417 /nfs/dbraw/zinc/20/44/17/1052204417.db2.gz QUJJMDBXBLKTRJ-RXVVDRJESA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2)C1 ZINC001311498565 1052204428 /nfs/dbraw/zinc/20/44/28/1052204428.db2.gz QUJJMDBXBLKTRJ-RXVVDRJESA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)cc2)C1 ZINC001311498565 1052204437 /nfs/dbraw/zinc/20/44/37/1052204437.db2.gz QUJJMDBXBLKTRJ-RXVVDRJESA-N 2 1 386.584 3.591 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001336228741 1052241405 /nfs/dbraw/zinc/24/14/05/1052241405.db2.gz MTKZWQBKULVNRT-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC001312108717 1052577092 /nfs/dbraw/zinc/57/70/92/1052577092.db2.gz VZVNKYUOWDFSMA-JOCHJYFZSA-N 2 1 388.600 3.564 20 0 GHADMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313138188 1052967070 /nfs/dbraw/zinc/96/70/70/1052967070.db2.gz HHHNMAYEQAWGML-DHIUTWEWSA-N 2 1 398.595 3.701 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3NCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC001344031660 1054200164 /nfs/dbraw/zinc/20/01/64/1054200164.db2.gz MGWOQRRDXMODQN-VSGJHWFKSA-N 2 1 397.607 3.522 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC001317899302 1054297052 /nfs/dbraw/zinc/29/70/52/1054297052.db2.gz OWBJQBLNHKVXDW-QHCPKHFHSA-N 2 1 394.563 3.515 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001318474527 1054664321 /nfs/dbraw/zinc/66/43/21/1054664321.db2.gz ZBJDUOMUCFTDGM-DHIUTWEWSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001318474527 1054664329 /nfs/dbraw/zinc/66/43/29/1054664329.db2.gz ZBJDUOMUCFTDGM-DHIUTWEWSA-N 2 1 398.595 3.551 20 0 GHADMP Cc1c(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)cnn1-c1cc[nH+]cc1 ZINC001344821003 1054760261 /nfs/dbraw/zinc/76/02/61/1054760261.db2.gz PMGYFOROCBVUTL-XMSQKQJNSA-N 2 1 390.487 3.786 20 0 GHADMP Cc1c(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)cnn1-c1cc[nH+]cc1 ZINC001344821003 1054760277 /nfs/dbraw/zinc/76/02/77/1054760277.db2.gz PMGYFOROCBVUTL-XMSQKQJNSA-N 2 1 390.487 3.786 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC001319691861 1055400547 /nfs/dbraw/zinc/40/05/47/1055400547.db2.gz PLXWKWRTBWMPMV-DUXKGJEZSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319691861 1055400551 /nfs/dbraw/zinc/40/05/51/1055400551.db2.gz PLXWKWRTBWMPMV-DUXKGJEZSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319691861 1055400552 /nfs/dbraw/zinc/40/05/52/1055400552.db2.gz PLXWKWRTBWMPMV-DUXKGJEZSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000848533058 1057154008 /nfs/dbraw/zinc/15/40/08/1057154008.db2.gz GTSUAUDADNKLPP-ZUEVXXBESA-N 2 1 387.351 3.648 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001324669855 1057197925 /nfs/dbraw/zinc/19/79/25/1057197925.db2.gz PAEOTEDRFBXZOV-SFHVURJKSA-N 2 1 389.503 3.572 20 0 GHADMP CC[NH+](CC)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324766880 1057222231 /nfs/dbraw/zinc/22/22/31/1057222231.db2.gz GTWKAQRIQKUGGM-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP Cn1nnc2cc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc21 ZINC001324782994 1057225748 /nfs/dbraw/zinc/22/57/48/1057225748.db2.gz FXGVSRDNWTXFFZ-SEJPIABJSA-N 2 1 375.520 3.644 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000848899389 1057407157 /nfs/dbraw/zinc/40/71/57/1057407157.db2.gz NFDIDCHPCYQAIM-SFWXYKJNSA-N 2 1 382.504 3.856 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC000849060488 1057571597 /nfs/dbraw/zinc/57/15/97/1057571597.db2.gz AYKJYRDKEKCHEB-IBGZPJMESA-N 2 1 381.524 3.589 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000849062522 1057573457 /nfs/dbraw/zinc/57/34/57/1057573457.db2.gz XMRWLRXABAUOLZ-LJQANCHMSA-N 2 1 386.927 3.800 20 0 GHADMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000849090064 1057589719 /nfs/dbraw/zinc/58/97/19/1057589719.db2.gz RTXFQYWJEHLAAM-MRXNPFEDSA-N 2 1 380.414 3.749 20 0 GHADMP COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001327088762 1057595714 /nfs/dbraw/zinc/59/57/14/1057595714.db2.gz BUYBIIFXXASCFU-JOCHJYFZSA-N 2 1 393.531 3.841 20 0 GHADMP COc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)cc1 ZINC001440374482 1058506934 /nfs/dbraw/zinc/50/69/34/1058506934.db2.gz ODKDVNHSRUEERN-XZOQPEGZSA-N 2 1 399.579 3.745 20 0 GHADMP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001440616943 1058549469 /nfs/dbraw/zinc/54/94/69/1058549469.db2.gz JRIHUPXVTNHBIZ-NRFANRHFSA-N 2 1 375.532 3.561 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001440616943 1058549475 /nfs/dbraw/zinc/54/94/75/1058549475.db2.gz JRIHUPXVTNHBIZ-NRFANRHFSA-N 2 1 375.532 3.561 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001440616943 1058549488 /nfs/dbraw/zinc/54/94/88/1058549488.db2.gz JRIHUPXVTNHBIZ-NRFANRHFSA-N 2 1 375.532 3.561 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC001440616943 1058549504 /nfs/dbraw/zinc/54/95/04/1058549504.db2.gz JRIHUPXVTNHBIZ-NRFANRHFSA-N 2 1 375.532 3.561 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001446719915 1059839473 /nfs/dbraw/zinc/83/94/73/1059839473.db2.gz ZJJUURXUDSLKBS-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001446719915 1059839500 /nfs/dbraw/zinc/83/95/00/1059839500.db2.gz ZJJUURXUDSLKBS-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001446719915 1059839525 /nfs/dbraw/zinc/83/95/25/1059839525.db2.gz ZJJUURXUDSLKBS-WZYRSQIMSA-N 2 1 383.580 3.524 20 0 GHADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001341033303 1060343764 /nfs/dbraw/zinc/34/37/64/1060343764.db2.gz UPHXNJBFDZIGBZ-UHFFFAOYSA-N 2 1 395.572 3.522 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC001449172810 1060345851 /nfs/dbraw/zinc/34/58/51/1060345851.db2.gz YYOGKHBXZHSUDZ-RBUKOAKNSA-N 2 1 391.987 3.756 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC001454058033 1061590349 /nfs/dbraw/zinc/59/03/49/1061590349.db2.gz ICJUJTUGCXKNAF-HSZRJFAPSA-N 2 1 383.580 3.588 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001454122564 1061616386 /nfs/dbraw/zinc/61/63/86/1061616386.db2.gz SUGNSIHWZJEVPK-XZOQPEGZSA-N 2 1 397.607 3.915 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)c1 ZINC001437674038 1063915371 /nfs/dbraw/zinc/91/53/71/1063915371.db2.gz ZPDXBDCSRNGZFW-QFIPXVFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001437674038 1063915374 /nfs/dbraw/zinc/91/53/74/1063915374.db2.gz ZPDXBDCSRNGZFW-QFIPXVFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001437674038 1063915379 /nfs/dbraw/zinc/91/53/79/1063915379.db2.gz ZPDXBDCSRNGZFW-QFIPXVFZSA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)(C)OC(=O)N(CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC001459783914 1064215782 /nfs/dbraw/zinc/21/57/82/1064215782.db2.gz BWJLQZGDKNJYAV-PXNSSMCTSA-N 2 1 377.573 3.725 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001459871564 1064250899 /nfs/dbraw/zinc/25/08/99/1064250899.db2.gz CKWWWTUEXRAWJF-XMSQKQJNSA-N 2 1 399.966 3.594 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCc1ccc(Cl)cc1 ZINC001459871564 1064250904 /nfs/dbraw/zinc/25/09/04/1064250904.db2.gz CKWWWTUEXRAWJF-XMSQKQJNSA-N 2 1 399.966 3.594 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCc1ccc(Cl)cc1 ZINC001459871564 1064250908 /nfs/dbraw/zinc/25/09/08/1064250908.db2.gz CKWWWTUEXRAWJF-XMSQKQJNSA-N 2 1 399.966 3.594 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001459997667 1064330921 /nfs/dbraw/zinc/33/09/21/1064330921.db2.gz RWZBKZUFLVSNER-RXVVDRJESA-N 2 1 383.511 3.963 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC001351375315 1064415710 /nfs/dbraw/zinc/41/57/10/1064415710.db2.gz SFBSBDFQVYLDRY-CZYKHXBRSA-N 2 1 394.676 3.697 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001463729161 1064574918 /nfs/dbraw/zinc/57/49/18/1064574918.db2.gz MHPSSTSDFHZXFC-PXNSSMCTSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001463729161 1064574931 /nfs/dbraw/zinc/57/49/31/1064574931.db2.gz MHPSSTSDFHZXFC-PXNSSMCTSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001463729161 1064574944 /nfs/dbraw/zinc/57/49/44/1064574944.db2.gz MHPSSTSDFHZXFC-PXNSSMCTSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001463729161 1064574958 /nfs/dbraw/zinc/57/49/58/1064574958.db2.gz MHPSSTSDFHZXFC-PXNSSMCTSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001463729161 1064574973 /nfs/dbraw/zinc/57/49/73/1064574973.db2.gz MHPSSTSDFHZXFC-PXNSSMCTSA-N 2 1 377.960 3.685 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001463762626 1064594375 /nfs/dbraw/zinc/59/43/75/1064594375.db2.gz NYSYISBFHIKDJX-BJKOFHAPSA-N 2 1 393.575 3.880 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001464220344 1064914062 /nfs/dbraw/zinc/91/40/62/1064914062.db2.gz RWQQUFUYAIIQCD-KNKQGSTJSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001464220344 1064914069 /nfs/dbraw/zinc/91/40/69/1064914069.db2.gz RWQQUFUYAIIQCD-KNKQGSTJSA-N 2 1 389.559 3.664 20 0 GHADMP CCC[C@@H]1CN(C(=O)CN(C)CCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001546153497 1065900747 /nfs/dbraw/zinc/90/07/47/1065900747.db2.gz PBXDHIATCDJTAW-XMMPIXPASA-N 2 1 393.575 3.674 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001477615908 1078493562 /nfs/dbraw/zinc/49/35/62/1078493562.db2.gz ZNUKNXQHGWNHNX-UNMCSNQZSA-N 2 1 398.595 3.872 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001468204745 1067630409 /nfs/dbraw/zinc/63/04/09/1067630409.db2.gz KMWIEDUJIZXMSV-NJDAHSKKSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC001468387768 1067713624 /nfs/dbraw/zinc/71/36/24/1067713624.db2.gz JCIMDUIAICXVEU-XZOQPEGZSA-N 2 1 398.595 3.696 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001468390351 1067715514 /nfs/dbraw/zinc/71/55/14/1067715514.db2.gz VZCMHIADTUNDEZ-DHIUTWEWSA-N 2 1 398.595 3.879 20 0 GHADMP C[C@@]1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CCC[N@H+]1Cc1ccccc1 ZINC000849097622 1067725927 /nfs/dbraw/zinc/72/59/27/1067725927.db2.gz BUQNBNFZIKYLTP-REWPJTCUSA-N 2 1 378.520 3.679 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122403 1067737984 /nfs/dbraw/zinc/73/79/84/1067737984.db2.gz DQVQYHYKXVUZHY-KEZOAJOQSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122403 1067737991 /nfs/dbraw/zinc/73/79/91/1067737991.db2.gz DQVQYHYKXVUZHY-KEZOAJOQSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122403 1067737994 /nfs/dbraw/zinc/73/79/94/1067737994.db2.gz DQVQYHYKXVUZHY-KEZOAJOQSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122403 1067737999 /nfs/dbraw/zinc/73/79/99/1067737999.db2.gz DQVQYHYKXVUZHY-KEZOAJOQSA-N 2 1 396.575 3.762 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001477865824 1078601574 /nfs/dbraw/zinc/60/15/74/1078601574.db2.gz ATQRGFRRCBPOPI-RTBURBONSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001477865824 1078601577 /nfs/dbraw/zinc/60/15/77/1078601577.db2.gz ATQRGFRRCBPOPI-RTBURBONSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001477865824 1078601582 /nfs/dbraw/zinc/60/15/82/1078601582.db2.gz ATQRGFRRCBPOPI-RTBURBONSA-N 2 1 378.605 3.593 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)[NH+](CC)CC)cc1 ZINC001477866085 1078601786 /nfs/dbraw/zinc/60/17/86/1078601786.db2.gz YGQCISJXODUCTB-VXKWHMMOSA-N 2 1 388.600 3.806 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCC1)c1ccccc1 ZINC001468829048 1067903019 /nfs/dbraw/zinc/90/30/19/1067903019.db2.gz BSAGLKNOJTXFLN-QUCCMNQESA-N 2 1 386.584 3.822 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCCC1)c1ccccc1 ZINC001468830549 1067903430 /nfs/dbraw/zinc/90/34/30/1067903430.db2.gz JODRECFNSBXXEJ-NFBKMPQASA-N 2 1 398.595 3.777 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001469315131 1068095125 /nfs/dbraw/zinc/09/51/25/1068095125.db2.gz AENKFCVHPFWBET-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)cc1 ZINC001478083249 1078707928 /nfs/dbraw/zinc/70/79/28/1078707928.db2.gz FZOXMKYSTOPYNK-WOJBJXKFSA-N 2 1 392.975 3.649 20 0 GHADMP Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc2c1 ZINC001470025124 1068529476 /nfs/dbraw/zinc/52/94/76/1068529476.db2.gz BZFKPUXVZZBOPI-AWEZNQCLSA-N 2 1 381.973 3.865 20 0 GHADMP Cc1ccc2c(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc2c1 ZINC001470025124 1068529479 /nfs/dbraw/zinc/52/94/79/1068529479.db2.gz BZFKPUXVZZBOPI-AWEZNQCLSA-N 2 1 381.973 3.865 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001470259876 1068651242 /nfs/dbraw/zinc/65/12/42/1068651242.db2.gz QCSUNDJMYDMOHV-UNMCSNQZSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)C)cc1 ZINC001470386416 1068714669 /nfs/dbraw/zinc/71/46/69/1068714669.db2.gz AWPYSDOJIQETGL-RXVVDRJESA-N 2 1 376.589 3.516 20 0 GHADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001460614710 1069031736 /nfs/dbraw/zinc/03/17/36/1069031736.db2.gz GUSDSTJCBORSAV-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@@]12C[NH+](CCC(=O)Nc3ccc(F)cc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001460633882 1069043464 /nfs/dbraw/zinc/04/34/64/1069043464.db2.gz ANGUKZJTZAWMFN-ZEQRLZLVSA-N 2 1 395.522 3.998 20 0 GHADMP CCN(C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001478590795 1078928128 /nfs/dbraw/zinc/92/81/28/1078928128.db2.gz JRWLRUMDDBDQAD-AJSBUHFISA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001478590795 1078928131 /nfs/dbraw/zinc/92/81/31/1078928131.db2.gz JRWLRUMDDBDQAD-AJSBUHFISA-N 2 1 398.595 3.870 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001478751009 1078975442 /nfs/dbraw/zinc/97/54/42/1078975442.db2.gz NQDQHDDVBGKYTD-RBBKRZOGSA-N 2 1 388.600 3.803 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001478751009 1078975445 /nfs/dbraw/zinc/97/54/45/1078975445.db2.gz NQDQHDDVBGKYTD-RBBKRZOGSA-N 2 1 388.600 3.803 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001478751009 1078975446 /nfs/dbraw/zinc/97/54/46/1078975446.db2.gz NQDQHDDVBGKYTD-RBBKRZOGSA-N 2 1 388.600 3.803 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3)C1CCCCC1 ZINC001478926938 1079028455 /nfs/dbraw/zinc/02/84/55/1079028455.db2.gz XMBYJLQTNFYLKN-ZRZAMGCNSA-N 2 1 390.616 3.549 20 0 GHADMP CC[NH+](CCCNC(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3)C1CCCCC1 ZINC001478926938 1079028461 /nfs/dbraw/zinc/02/84/61/1079028461.db2.gz XMBYJLQTNFYLKN-ZRZAMGCNSA-N 2 1 390.616 3.549 20 0 GHADMP CC[NH+](CCCNC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)C1CCCCC1 ZINC001478926938 1079028465 /nfs/dbraw/zinc/02/84/65/1079028465.db2.gz XMBYJLQTNFYLKN-ZRZAMGCNSA-N 2 1 390.616 3.549 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001471505810 1073108253 /nfs/dbraw/zinc/10/82/53/1073108253.db2.gz WVQYLUNRVMOJST-XIXYPUAESA-N 2 1 398.595 3.698 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001471556928 1073132527 /nfs/dbraw/zinc/13/25/27/1073132527.db2.gz KBTFCCPCMMZHMV-PKTZIBPZSA-N 2 1 392.547 3.603 20 0 GHADMP CC[NH+](C)[C@H](C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001471556928 1073132533 /nfs/dbraw/zinc/13/25/33/1073132533.db2.gz KBTFCCPCMMZHMV-PKTZIBPZSA-N 2 1 392.547 3.603 20 0 GHADMP CC[NH+](C)[C@H](C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)c1ccccc1 ZINC001471556928 1073132536 /nfs/dbraw/zinc/13/25/36/1073132536.db2.gz KBTFCCPCMMZHMV-PKTZIBPZSA-N 2 1 392.547 3.603 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001478984091 1079051004 /nfs/dbraw/zinc/05/10/04/1079051004.db2.gz IYPICPIRWRISPQ-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001478984091 1079051012 /nfs/dbraw/zinc/05/10/12/1079051012.db2.gz IYPICPIRWRISPQ-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001478984091 1079051020 /nfs/dbraw/zinc/05/10/20/1079051020.db2.gz IYPICPIRWRISPQ-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC001473111497 1073785563 /nfs/dbraw/zinc/78/55/63/1073785563.db2.gz HHODWNTYLKIZCG-XZOQPEGZSA-N 2 1 379.548 3.503 20 0 GHADMP O=C(Cc1ccccc1)OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001473220565 1073868303 /nfs/dbraw/zinc/86/83/03/1073868303.db2.gz XRWQYPIQGXWLCG-ZEQRLZLVSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001473220565 1073868308 /nfs/dbraw/zinc/86/83/08/1073868308.db2.gz XRWQYPIQGXWLCG-ZEQRLZLVSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001473220565 1073868321 /nfs/dbraw/zinc/86/83/21/1073868321.db2.gz XRWQYPIQGXWLCG-ZEQRLZLVSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001473220565 1073868332 /nfs/dbraw/zinc/86/83/32/1073868332.db2.gz XRWQYPIQGXWLCG-ZEQRLZLVSA-N 2 1 392.543 3.759 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F)c1ccccc1 ZINC001473581676 1074030104 /nfs/dbraw/zinc/03/01/04/1074030104.db2.gz QNTVMGJHWWRIOC-VWNXMTODSA-N 2 1 397.538 3.642 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473718655 1074105454 /nfs/dbraw/zinc/10/54/54/1074105454.db2.gz NJEXLXZMAPFANF-JWQCQUIFSA-N 2 1 392.543 3.746 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019047 1074237288 /nfs/dbraw/zinc/23/72/88/1074237288.db2.gz LOXXCIFXOVDOSN-LAUBAEHRSA-N 2 1 381.549 3.716 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019047 1074237294 /nfs/dbraw/zinc/23/72/94/1074237294.db2.gz LOXXCIFXOVDOSN-LAUBAEHRSA-N 2 1 381.549 3.716 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001474234333 1074302645 /nfs/dbraw/zinc/30/26/45/1074302645.db2.gz LVZJHQYGJQCRMT-PZJWPPBQSA-N 2 1 385.596 3.771 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(I)s2)CC1 ZINC001474356741 1074361330 /nfs/dbraw/zinc/36/13/30/1074361330.db2.gz SRMJQKLNCNDPKJ-UHFFFAOYSA-N 2 1 392.350 3.907 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@@H]1Oc1ccccc1 ZINC001474388759 1074379976 /nfs/dbraw/zinc/37/99/76/1074379976.db2.gz VCKZHDOMVIHATF-QTJGBDASSA-N 2 1 394.559 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C)nc4scc(C)n34)C2)ccn1 ZINC001474642751 1074495703 /nfs/dbraw/zinc/49/57/03/1074495703.db2.gz RSNZYCPLYQOYDM-IBGZPJMESA-N 2 1 399.564 3.513 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(C)nc4scc(C)n34)C2)ccn1 ZINC001474642751 1074495709 /nfs/dbraw/zinc/49/57/09/1074495709.db2.gz RSNZYCPLYQOYDM-IBGZPJMESA-N 2 1 399.564 3.513 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(C)nc4scc(C)n34)C2)ccn1 ZINC001474642751 1074495718 /nfs/dbraw/zinc/49/57/18/1074495718.db2.gz RSNZYCPLYQOYDM-IBGZPJMESA-N 2 1 399.564 3.513 20 0 GHADMP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001474745851 1074543774 /nfs/dbraw/zinc/54/37/74/1074543774.db2.gz WFBPFADIILWHCK-WRHDZBKDSA-N 2 1 379.548 3.912 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H]([NH2+]Cc1cnc(-c3ccccc3F)s1)[C@@H](O)C2 ZINC001550422446 1126206252 /nfs/dbraw/zinc/20/62/52/1126206252.db2.gz WHYAVQXYYWHMHH-JKBKZWBZSA-N 2 1 389.540 3.519 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820709217 599367275 /nfs/dbraw/zinc/36/72/75/599367275.db2.gz GDFOQJSLCXILLH-MSOLQXFVSA-N 2 1 390.535 3.949 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821255289 606083616 /nfs/dbraw/zinc/08/36/16/606083616.db2.gz XNXYKZJRIZALIV-HTAPYJJXSA-N 2 1 390.535 3.696 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821255289 606083621 /nfs/dbraw/zinc/08/36/21/606083621.db2.gz XNXYKZJRIZALIV-HTAPYJJXSA-N 2 1 390.535 3.696 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821255289 606083624 /nfs/dbraw/zinc/08/36/24/606083624.db2.gz XNXYKZJRIZALIV-HTAPYJJXSA-N 2 1 390.535 3.696 20 0 GHADMP COc1ccc2c(cc(Cl)nc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164684676 719632460 /nfs/dbraw/zinc/63/24/60/719632460.db2.gz WDHGNEIAOOKOFP-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP COc1ccc2c(cc(Cl)nc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164684676 719632463 /nfs/dbraw/zinc/63/24/63/719632463.db2.gz WDHGNEIAOOKOFP-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP Cc1cc2ccccc2c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164985013 722130933 /nfs/dbraw/zinc/13/09/33/722130933.db2.gz YTUIVQJWCLCZNH-GMAHTHKFSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cc2ccccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164985013 722130934 /nfs/dbraw/zinc/13/09/34/722130934.db2.gz YTUIVQJWCLCZNH-GMAHTHKFSA-N 2 1 388.515 3.666 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655691866 837672827 /nfs/dbraw/zinc/67/28/27/837672827.db2.gz YEIMYEMISHLWDA-RDPSFJRHSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691866 837672837 /nfs/dbraw/zinc/67/28/37/837672837.db2.gz YEIMYEMISHLWDA-RDPSFJRHSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691866 837672847 /nfs/dbraw/zinc/67/28/47/837672847.db2.gz YEIMYEMISHLWDA-RDPSFJRHSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691866 837672856 /nfs/dbraw/zinc/67/28/56/837672856.db2.gz YEIMYEMISHLWDA-RDPSFJRHSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655691866 837672866 /nfs/dbraw/zinc/67/28/66/837672866.db2.gz YEIMYEMISHLWDA-RDPSFJRHSA-N 2 1 385.596 3.794 20 0 GHADMP c1ccc(COCc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)cc1 ZINC000655690020 837681201 /nfs/dbraw/zinc/68/12/01/837681201.db2.gz RYACHUZRBGICAJ-DEOSSOPVSA-N 2 1 380.532 3.746 20 0 GHADMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000180898418 837686466 /nfs/dbraw/zinc/68/64/66/837686466.db2.gz FLFTVOITXOBBKD-JOCHJYFZSA-N 2 1 392.465 3.608 20 0 GHADMP c1ccc(COc2ccc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000655700423 837690430 /nfs/dbraw/zinc/69/04/30/837690430.db2.gz HLKJILWGSVTZET-HSZRJFAPSA-N 2 1 380.532 3.651 20 0 GHADMP COC(=O)c1c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000579712852 834421696 /nfs/dbraw/zinc/42/16/96/834421696.db2.gz YCQOSLFTXSWVHI-SJLPKXTDSA-N 2 1 389.499 3.858 20 0 GHADMP COC(=O)c1c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000579712852 834421699 /nfs/dbraw/zinc/42/16/99/834421699.db2.gz YCQOSLFTXSWVHI-SJLPKXTDSA-N 2 1 389.499 3.858 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274574013 834445952 /nfs/dbraw/zinc/44/59/52/834445952.db2.gz JJINHSQTBZLWBT-IHOQQJHYSA-N 2 1 379.548 3.712 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274574013 834445955 /nfs/dbraw/zinc/44/59/55/834445955.db2.gz JJINHSQTBZLWBT-IHOQQJHYSA-N 2 1 379.548 3.712 20 0 GHADMP c1ccc(COc2cccc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)cc1 ZINC000655736536 837775706 /nfs/dbraw/zinc/77/57/06/837775706.db2.gz RNCOHXBBSBUNNL-HSZRJFAPSA-N 2 1 380.532 3.651 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3Cl)C2)C1 ZINC000650706420 834537104 /nfs/dbraw/zinc/53/71/04/834537104.db2.gz KBJCQACJVQWZGW-FRFSOERESA-N 2 1 387.749 3.821 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000728570345 834549875 /nfs/dbraw/zinc/54/98/75/834549875.db2.gz JWZBHHHIGGDLDQ-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000728570345 834549881 /nfs/dbraw/zinc/54/98/81/834549881.db2.gz JWZBHHHIGGDLDQ-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCn4ccnc43)cc2)C[C@H]1C ZINC000655739041 837785777 /nfs/dbraw/zinc/78/57/77/837785777.db2.gz USTRBVFWDLWPSB-XQBPLPMBSA-N 2 1 382.552 3.517 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000430149498 834585784 /nfs/dbraw/zinc/58/57/84/834585784.db2.gz WBOADZFAUQUJNX-HSZRJFAPSA-N 2 1 382.552 3.841 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000430149498 834585796 /nfs/dbraw/zinc/58/57/96/834585796.db2.gz WBOADZFAUQUJNX-HSZRJFAPSA-N 2 1 382.552 3.841 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000430149498 834585805 /nfs/dbraw/zinc/58/58/05/834585805.db2.gz WBOADZFAUQUJNX-HSZRJFAPSA-N 2 1 382.552 3.841 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000430149498 834585809 /nfs/dbraw/zinc/58/58/09/834585809.db2.gz WBOADZFAUQUJNX-HSZRJFAPSA-N 2 1 382.552 3.841 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)NCc1cccs1 ZINC000647334686 834602581 /nfs/dbraw/zinc/60/25/81/834602581.db2.gz PRYNZMKFVVSBOB-YWZLYKJASA-N 2 1 382.533 3.988 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)C1 ZINC000090585338 834617517 /nfs/dbraw/zinc/61/75/17/834617517.db2.gz GQBNURGUAQBEEW-IRXDYDNUSA-N 2 1 375.948 3.939 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)C1 ZINC000090585338 834617523 /nfs/dbraw/zinc/61/75/23/834617523.db2.gz GQBNURGUAQBEEW-IRXDYDNUSA-N 2 1 375.948 3.939 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cs2)cc1 ZINC000650721821 834698603 /nfs/dbraw/zinc/69/86/03/834698603.db2.gz CIBIZRCULWZJEX-DBVUQKKJSA-N 2 1 387.549 3.680 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2Cl)C1 ZINC000650724100 834709390 /nfs/dbraw/zinc/70/93/90/834709390.db2.gz YGVBTWDMYVDZAC-OIISXLGYSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2Cl)C1 ZINC000650724100 834709393 /nfs/dbraw/zinc/70/93/93/834709393.db2.gz YGVBTWDMYVDZAC-OIISXLGYSA-N 2 1 387.749 3.963 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471118473 834741238 /nfs/dbraw/zinc/74/12/38/834741238.db2.gz FWJDGRUXACKGTM-MTNREXPMSA-N 2 1 383.511 3.598 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471118473 834741244 /nfs/dbraw/zinc/74/12/44/834741244.db2.gz FWJDGRUXACKGTM-MTNREXPMSA-N 2 1 383.511 3.598 20 0 GHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000145665691 834816655 /nfs/dbraw/zinc/81/66/55/834816655.db2.gz XPEJDNIUEVPPEO-QFIPXVFZSA-N 2 1 397.588 3.741 20 0 GHADMP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657872278 834819299 /nfs/dbraw/zinc/81/92/99/834819299.db2.gz MOVZVXBKVRFBNA-HNNXBMFYSA-N 2 1 391.909 3.907 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)CC1 ZINC000657875662 834870314 /nfs/dbraw/zinc/87/03/14/834870314.db2.gz HRZLFPUEKIAPTH-CTNGQTDRSA-N 2 1 391.987 3.899 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000654983126 834910147 /nfs/dbraw/zinc/91/01/47/834910147.db2.gz VSPFUZNJGQGRAL-VWLOTQADSA-N 2 1 397.607 3.593 20 0 GHADMP CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3OCC3CC3)CC2)CC1 ZINC000685455045 835026260 /nfs/dbraw/zinc/02/62/60/835026260.db2.gz DKLCEGLFRJHVSU-UHFFFAOYSA-N 2 1 391.987 3.588 20 0 GHADMP Cc1nn2c(C[N@@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)c(C)nc2s1 ZINC000472340316 835143085 /nfs/dbraw/zinc/14/30/85/835143085.db2.gz DMRAIPZFJJOZBI-OALUTQOASA-N 2 1 383.565 3.580 20 0 GHADMP Cc1nn2c(C[N@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)c(C)nc2s1 ZINC000472340316 835143090 /nfs/dbraw/zinc/14/30/90/835143090.db2.gz DMRAIPZFJJOZBI-OALUTQOASA-N 2 1 383.565 3.580 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000431617072 835219780 /nfs/dbraw/zinc/21/97/80/835219780.db2.gz LOVZIWLJVCPUMC-UHFFFAOYSA-N 2 1 388.600 3.696 20 0 GHADMP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511246152 835227000 /nfs/dbraw/zinc/22/70/00/835227000.db2.gz BSBAYSCANGALIA-SJBKTWHCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511246152 835227003 /nfs/dbraw/zinc/22/70/03/835227003.db2.gz BSBAYSCANGALIA-SJBKTWHCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246152 835227008 /nfs/dbraw/zinc/22/70/08/835227008.db2.gz BSBAYSCANGALIA-SJBKTWHCSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246152 835227012 /nfs/dbraw/zinc/22/70/12/835227012.db2.gz BSBAYSCANGALIA-SJBKTWHCSA-N 2 1 398.595 3.555 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000685632362 835239885 /nfs/dbraw/zinc/23/98/85/835239885.db2.gz GOKFASOMLCLCHN-NRFANRHFSA-N 2 1 389.547 3.874 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000624634493 835242932 /nfs/dbraw/zinc/24/29/32/835242932.db2.gz XKHUZLDMICWYQK-BJKOFHAPSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000624634493 835242935 /nfs/dbraw/zinc/24/29/35/835242935.db2.gz XKHUZLDMICWYQK-BJKOFHAPSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000624634493 835242937 /nfs/dbraw/zinc/24/29/37/835242937.db2.gz XKHUZLDMICWYQK-BJKOFHAPSA-N 2 1 397.607 3.723 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158284633 835295924 /nfs/dbraw/zinc/29/59/24/835295924.db2.gz FCMQNQIGPIYDIS-WOIUINJBSA-N 2 1 397.567 3.522 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158284633 835295930 /nfs/dbraw/zinc/29/59/30/835295930.db2.gz FCMQNQIGPIYDIS-WOIUINJBSA-N 2 1 397.567 3.522 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000583962235 835302030 /nfs/dbraw/zinc/30/20/30/835302030.db2.gz KACLIMRJSSYMBH-VQPAQMSKSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000583962235 835302036 /nfs/dbraw/zinc/30/20/36/835302036.db2.gz KACLIMRJSSYMBH-VQPAQMSKSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274793094 835309457 /nfs/dbraw/zinc/30/94/57/835309457.db2.gz MUZKWNIQXYNLCU-PGRDOPGGSA-N 2 1 377.532 3.596 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000430235898 835314304 /nfs/dbraw/zinc/31/43/04/835314304.db2.gz FWSYIBPYARMOSL-ISKFKSNPSA-N 2 1 398.595 3.701 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccsc1Cl ZINC000612046660 835432809 /nfs/dbraw/zinc/43/28/09/835432809.db2.gz DMXNSZSPBNAPOX-UHFFFAOYSA-N 2 1 383.989 3.670 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1)C1CC1 ZINC000584014674 835439503 /nfs/dbraw/zinc/43/95/03/835439503.db2.gz XQOCHUDDWDNWSH-QFIPXVFZSA-N 2 1 383.511 3.843 20 0 GHADMP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1F ZINC000658137759 835462416 /nfs/dbraw/zinc/46/24/16/835462416.db2.gz LOYNPVQDXVXGTR-PXNSSMCTSA-N 2 1 392.902 3.523 20 0 GHADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Cl)c1F ZINC000658137759 835462421 /nfs/dbraw/zinc/46/24/21/835462421.db2.gz LOYNPVQDXVXGTR-PXNSSMCTSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139199 835466588 /nfs/dbraw/zinc/46/65/88/835466588.db2.gz PJPAVJLWAMDAJT-DYVFJYSZSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139203 835466606 /nfs/dbraw/zinc/46/66/06/835466606.db2.gz PJPAVJLWAMDAJT-SUMWQHHRSA-N 2 1 395.366 3.928 20 0 GHADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000584037462 835483679 /nfs/dbraw/zinc/48/36/79/835483679.db2.gz QQZHGKKCLNFSAX-SFHVURJKSA-N 2 1 384.568 3.626 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000584108660 835649676 /nfs/dbraw/zinc/64/96/76/835649676.db2.gz NJHSPJKBHHVOKW-WRWLIDTKSA-N 2 1 394.968 3.814 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cnc(C4CC4)o3)cc2)C[C@H]1C ZINC000628231916 835929865 /nfs/dbraw/zinc/92/98/65/835929865.db2.gz GKCPBPQJLVTEAS-HDICACEKSA-N 2 1 383.536 3.851 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CC2)n1 ZINC000180165950 836100934 /nfs/dbraw/zinc/10/09/34/836100934.db2.gz DFKMDWMYLQRBLU-YFNKSVMNSA-N 2 1 390.575 3.859 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)CC2)[nH+]1 ZINC000180165950 836100941 /nfs/dbraw/zinc/10/09/41/836100941.db2.gz DFKMDWMYLQRBLU-YFNKSVMNSA-N 3 1 390.575 3.859 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)CC2)[nH+]1 ZINC000180165950 836100950 /nfs/dbraw/zinc/10/09/50/836100950.db2.gz DFKMDWMYLQRBLU-YFNKSVMNSA-N 3 1 390.575 3.859 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)cc1 ZINC000180640511 836235440 /nfs/dbraw/zinc/23/54/40/836235440.db2.gz OWCBQJGPQCREPF-QRWLVFNGSA-N 2 1 389.337 3.867 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483491 844154480 /nfs/dbraw/zinc/15/44/80/844154480.db2.gz XDJYVQXXIYGEJN-TUACAJSNSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483491 844154488 /nfs/dbraw/zinc/15/44/88/844154488.db2.gz XDJYVQXXIYGEJN-TUACAJSNSA-N 2 1 391.559 3.850 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000414252082 836753720 /nfs/dbraw/zinc/75/37/20/836753720.db2.gz AQEQUMKMYHIFFV-IHLLOCCUSA-N 2 1 395.547 3.833 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000414252082 836753724 /nfs/dbraw/zinc/75/37/24/836753724.db2.gz AQEQUMKMYHIFFV-IHLLOCCUSA-N 2 1 395.547 3.833 20 0 GHADMP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000414258925 836785322 /nfs/dbraw/zinc/78/53/22/836785322.db2.gz XVGCCGADJPMGMW-SMQFJCFBSA-N 2 1 394.563 3.766 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000175391122 836812547 /nfs/dbraw/zinc/81/25/47/836812547.db2.gz DMNVGUUZHQIIAJ-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000067222893 844207444 /nfs/dbraw/zinc/20/74/44/844207444.db2.gz JGAZHTKGHVLPAP-IBGZPJMESA-N 2 1 381.520 3.769 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000067222893 844207446 /nfs/dbraw/zinc/20/74/46/844207446.db2.gz JGAZHTKGHVLPAP-IBGZPJMESA-N 2 1 381.520 3.769 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000510933036 844214869 /nfs/dbraw/zinc/21/48/69/844214869.db2.gz YMZPTOHBHVULKV-WSOYEBOPSA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(C[NH+]2C[C@@H](c3ccccc3)[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000510933036 844214873 /nfs/dbraw/zinc/21/48/73/844214873.db2.gz YMZPTOHBHVULKV-WSOYEBOPSA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(C[NH+]2C[C@@H](c3ccccc3)[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000510933036 844214883 /nfs/dbraw/zinc/21/48/83/844214883.db2.gz YMZPTOHBHVULKV-WSOYEBOPSA-N 2 1 375.560 3.871 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414290485 836935930 /nfs/dbraw/zinc/93/59/30/836935930.db2.gz SQXIIUTVYVLWDW-UHFFFAOYSA-N 2 1 392.590 3.673 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000511401432 837038573 /nfs/dbraw/zinc/03/85/73/837038573.db2.gz ZURGVLZJETWFKK-STZQEDGTSA-N 2 1 394.003 3.813 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)CC1 ZINC001167254937 837047430 /nfs/dbraw/zinc/04/74/30/837047430.db2.gz BKJGRDWCKAKRNJ-GOSISDBHSA-N 2 1 380.479 3.995 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)CC1 ZINC001167254937 837047435 /nfs/dbraw/zinc/04/74/35/837047435.db2.gz BKJGRDWCKAKRNJ-GOSISDBHSA-N 2 1 380.479 3.995 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)CC1 ZINC001167254938 837047567 /nfs/dbraw/zinc/04/75/67/837047567.db2.gz BKJGRDWCKAKRNJ-SFHVURJKSA-N 2 1 380.479 3.995 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)CC1 ZINC001167254938 837047576 /nfs/dbraw/zinc/04/75/76/837047576.db2.gz BKJGRDWCKAKRNJ-SFHVURJKSA-N 2 1 380.479 3.995 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC[C@@H]1[NH3+] ZINC000647497734 837052450 /nfs/dbraw/zinc/05/24/50/837052450.db2.gz SVVOFFBBOKMEPD-UGKGYDQZSA-N 2 1 378.520 3.781 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC(Cc3ccccc3)Cc3ccccc3)CC2)C1 ZINC000685836911 837148568 /nfs/dbraw/zinc/14/85/68/837148568.db2.gz JAFWBAFSBMYZLD-SANMLTNESA-N 2 1 391.603 3.800 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000275583298 837356722 /nfs/dbraw/zinc/35/67/22/837356722.db2.gz DSVBBOYIQPGHOF-UHFFFAOYSA-N 2 1 398.526 3.670 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000275583298 837356732 /nfs/dbraw/zinc/35/67/32/837356732.db2.gz DSVBBOYIQPGHOF-UHFFFAOYSA-N 2 1 398.526 3.670 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001125832600 837855652 /nfs/dbraw/zinc/85/56/52/837855652.db2.gz KDXAPWXCYKAXJM-UXHICEINSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001125832600 837855665 /nfs/dbraw/zinc/85/56/65/837855665.db2.gz KDXAPWXCYKAXJM-UXHICEINSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125832600 837855679 /nfs/dbraw/zinc/85/56/79/837855679.db2.gz KDXAPWXCYKAXJM-UXHICEINSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125832600 837855691 /nfs/dbraw/zinc/85/56/91/837855691.db2.gz KDXAPWXCYKAXJM-UXHICEINSA-N 2 1 377.960 3.684 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000511511706 837901766 /nfs/dbraw/zinc/90/17/66/837901766.db2.gz ZDMCTVFLSIMKTR-UHFFFAOYSA-N 2 1 383.536 3.565 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C(F)(F)F ZINC000893085516 838004264 /nfs/dbraw/zinc/00/42/64/838004264.db2.gz FVTIRGRTRRKGGJ-FUIIOZAVSA-N 2 1 376.463 3.502 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C(F)(F)F ZINC000893085516 838004273 /nfs/dbraw/zinc/00/42/73/838004273.db2.gz FVTIRGRTRRKGGJ-FUIIOZAVSA-N 2 1 376.463 3.502 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415882066 838229973 /nfs/dbraw/zinc/22/99/73/838229973.db2.gz KFHROXLMMQEJJQ-UHFFFAOYSA-N 2 1 392.547 3.708 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1)CC1CC1 ZINC000415891484 838238914 /nfs/dbraw/zinc/23/89/14/838238914.db2.gz GOSGSOOHFGTRPY-UHFFFAOYSA-N 2 1 384.568 3.698 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000415906796 838260957 /nfs/dbraw/zinc/26/09/57/838260957.db2.gz YUDWEIZBWHICDF-JOCHJYFZSA-N 2 1 380.536 3.610 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000415916333 838264494 /nfs/dbraw/zinc/26/44/94/838264494.db2.gz HCEYUUMGYAUYJT-AVRDEDQJSA-N 2 1 380.536 3.923 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415931424 838280280 /nfs/dbraw/zinc/28/02/80/838280280.db2.gz BQMAZUOLVIOLAZ-GOSISDBHSA-N 2 1 396.535 3.578 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1)C(C)C ZINC000110164976 844311534 /nfs/dbraw/zinc/31/15/34/844311534.db2.gz YJASKHQPIBZMHB-QHCPKHFHSA-N 2 1 381.564 3.820 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415948452 838303808 /nfs/dbraw/zinc/30/38/08/838303808.db2.gz YNFLLNIYMOWCMZ-NRFANRHFSA-N 2 1 380.536 3.782 20 0 GHADMP CCN(C(=O)Nc1ccc(OCC[NH3+])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415949093 838305151 /nfs/dbraw/zinc/30/51/51/838305151.db2.gz VTKPNFOWMPJVDN-NQIIRXRSSA-N 2 1 396.535 3.713 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659384029 838342873 /nfs/dbraw/zinc/34/28/73/838342873.db2.gz XYQRGYCPUIDQPX-AVRDEDQJSA-N 2 1 377.532 3.738 20 0 GHADMP CC[N@H+](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(C)C ZINC000613570160 838348152 /nfs/dbraw/zinc/34/81/52/838348152.db2.gz HDAXTKAQIUXZKI-UHFFFAOYSA-N 2 1 379.548 3.651 20 0 GHADMP CC[N@@H+](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(C)C ZINC000613570160 838348156 /nfs/dbraw/zinc/34/81/56/838348156.db2.gz HDAXTKAQIUXZKI-UHFFFAOYSA-N 2 1 379.548 3.651 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415976436 838353322 /nfs/dbraw/zinc/35/33/22/838353322.db2.gz NMHABXFNFAMEIB-HDICACEKSA-N 2 1 380.536 3.945 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000415975832 838354317 /nfs/dbraw/zinc/35/43/17/838354317.db2.gz UYMNYPTWJVYDSI-GOSISDBHSA-N 2 1 380.536 3.960 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNCc3nc4ccccc4o3)C3(C2)CCOCC3)cc1 ZINC000639210828 838391912 /nfs/dbraw/zinc/39/19/12/838391912.db2.gz NIBUVTDGHMQJQH-FQEVSTJZSA-N 2 1 391.515 3.846 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000416149851 838637054 /nfs/dbraw/zinc/63/70/54/838637054.db2.gz IFSMZVIDOCRILX-OAQYLSRUSA-N 2 1 383.580 3.549 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000416156386 838643865 /nfs/dbraw/zinc/64/38/65/838643865.db2.gz OYMMTHSIDHVHMD-KNKQGSTJSA-N 2 1 385.577 3.940 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416171644 838656416 /nfs/dbraw/zinc/65/64/16/838656416.db2.gz RHXUNODRAWDZGF-WTIAFYNJSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000580071251 838797463 /nfs/dbraw/zinc/79/74/63/838797463.db2.gz MZBDCOPUHJMUDE-JMJGKCIBSA-N 2 1 383.580 3.525 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1)C1CCOCC1 ZINC000163948833 838825206 /nfs/dbraw/zinc/82/52/06/838825206.db2.gz JKJXIVFFNYHKTL-DEOSSOPVSA-N 2 1 380.532 3.953 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cncc(F)c1 ZINC000163967656 838874424 /nfs/dbraw/zinc/87/44/24/838874424.db2.gz JZEFFHZEPMFVPH-KRWDZBQOSA-N 2 1 387.499 3.561 20 0 GHADMP COC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000683814923 838915149 /nfs/dbraw/zinc/91/51/49/838915149.db2.gz CJQATJDTLOISTR-RTBURBONSA-N 2 1 393.984 3.667 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(C4CCC4)cs3)CC2)CC1 ZINC000580210526 839055864 /nfs/dbraw/zinc/05/58/64/839055864.db2.gz WWPVWBINYLQOOV-UHFFFAOYSA-N 2 1 376.570 3.545 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(C)(C)C[NH+](C)C ZINC000511546043 839058852 /nfs/dbraw/zinc/05/88/52/839058852.db2.gz FAZONGHIJQPSSU-AZUAARDMSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415049463 839116669 /nfs/dbraw/zinc/11/66/69/839116669.db2.gz HHSBJUKWUTVVAU-PBPGXSGUSA-N 2 1 383.502 3.833 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415058276 839128605 /nfs/dbraw/zinc/12/86/05/839128605.db2.gz VFSPOUFVGDYNHA-UZUQRXQVSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415058276 839128610 /nfs/dbraw/zinc/12/86/10/839128610.db2.gz VFSPOUFVGDYNHA-UZUQRXQVSA-N 2 1 384.520 3.700 20 0 GHADMP FC(F)(F)c1cccc(CCCC[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415060049 839139976 /nfs/dbraw/zinc/13/99/76/839139976.db2.gz VZFNBHYZRABDNJ-UHFFFAOYSA-N 2 1 383.502 3.834 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000378525181 839278292 /nfs/dbraw/zinc/27/82/92/839278292.db2.gz ZEMKNKUMRKUMTQ-AZUAARDMSA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378525181 839278309 /nfs/dbraw/zinc/27/83/09/839278309.db2.gz ZEMKNKUMRKUMTQ-AZUAARDMSA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378525181 839278316 /nfs/dbraw/zinc/27/83/16/839278316.db2.gz ZEMKNKUMRKUMTQ-AZUAARDMSA-N 2 1 386.584 3.684 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000051203572 839440606 /nfs/dbraw/zinc/44/06/06/839440606.db2.gz JWOCAUKGPNCACM-UHFFFAOYSA-N 2 1 379.548 3.598 20 0 GHADMP CN(c1nc2cc(Cl)cc(Cl)c2o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683932763 839521570 /nfs/dbraw/zinc/52/15/70/839521570.db2.gz MRTQHORMUXYXDR-CQSZACIVSA-N 2 1 383.323 3.739 20 0 GHADMP CN(c1nc2cc(Cl)cc(Cl)c2o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683932763 839521582 /nfs/dbraw/zinc/52/15/82/839521582.db2.gz MRTQHORMUXYXDR-CQSZACIVSA-N 2 1 383.323 3.739 20 0 GHADMP CC[NH2+][C@H](C)CNC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000415406403 839732657 /nfs/dbraw/zinc/73/26/57/839732657.db2.gz OHMCQCVHPDJFRW-WIYYLYMNSA-N 2 1 390.572 3.586 20 0 GHADMP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCCC(C)C ZINC000535805155 844501323 /nfs/dbraw/zinc/50/13/23/844501323.db2.gz LEAQNCGCUAQDLL-TUNNFDKTSA-N 2 1 390.568 3.804 20 0 GHADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCCC(C)C ZINC000535805155 844501329 /nfs/dbraw/zinc/50/13/29/844501329.db2.gz LEAQNCGCUAQDLL-TUNNFDKTSA-N 2 1 390.568 3.804 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000535806011 844504269 /nfs/dbraw/zinc/50/42/69/844504269.db2.gz AJBWZBIAAVBLMM-HUVFLSCGSA-N 2 1 390.531 3.709 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000512553836 844512056 /nfs/dbraw/zinc/51/20/56/844512056.db2.gz AQCWSVUPNPMHLT-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000512553836 844512064 /nfs/dbraw/zinc/51/20/64/844512064.db2.gz AQCWSVUPNPMHLT-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000512553836 844512073 /nfs/dbraw/zinc/51/20/73/844512073.db2.gz AQCWSVUPNPMHLT-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512553836 844512081 /nfs/dbraw/zinc/51/20/81/844512081.db2.gz AQCWSVUPNPMHLT-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000512553838 844512262 /nfs/dbraw/zinc/51/22/62/844512262.db2.gz AQCWSVUPNPMHLT-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000512553838 844512264 /nfs/dbraw/zinc/51/22/64/844512264.db2.gz AQCWSVUPNPMHLT-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000512553838 844512272 /nfs/dbraw/zinc/51/22/72/844512272.db2.gz AQCWSVUPNPMHLT-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512553838 844512280 /nfs/dbraw/zinc/51/22/80/844512280.db2.gz AQCWSVUPNPMHLT-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418461719 840261763 /nfs/dbraw/zinc/26/17/63/840261763.db2.gz MGYXEKOUHRBOBP-MOPGFXCFSA-N 2 1 380.536 3.512 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(CC[NH3+])Cc3ccccc3)cc2)C1 ZINC000416965741 840313758 /nfs/dbraw/zinc/31/37/58/840313758.db2.gz DVCLNFJIPDPXEI-FQEVSTJZSA-N 2 1 394.563 3.589 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511661418 840360621 /nfs/dbraw/zinc/36/06/21/840360621.db2.gz DFSYQYVJGFCUFM-SFTDATJTSA-N 2 1 397.588 3.913 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C)cc(C[NH3+])c3)CC[N@H+]2C2CC2)c1 ZINC000580887751 840381272 /nfs/dbraw/zinc/38/12/72/840381272.db2.gz LYPVFFOWZBMWTO-FGZHOGPDSA-N 2 1 394.519 3.562 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCCC34CC[NH+](C)CC4)cc2)C1 ZINC000510361573 840508550 /nfs/dbraw/zinc/50/85/50/840508550.db2.gz DIGSRQVPNYDPLV-FQEVSTJZSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCCC34CC[NH+](C)CC4)cc2)C1 ZINC000510361574 840508619 /nfs/dbraw/zinc/50/86/19/840508619.db2.gz DIGSRQVPNYDPLV-HXUWFJFHSA-N 2 1 398.595 3.688 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000417221526 840616057 /nfs/dbraw/zinc/61/60/57/840616057.db2.gz OWEUBWYARCWWTL-WIYYLYMNSA-N 2 1 386.584 3.768 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473027324 840816848 /nfs/dbraw/zinc/81/68/48/840816848.db2.gz YYZBERNXBSJVNF-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000548154319 840861286 /nfs/dbraw/zinc/86/12/86/840861286.db2.gz ULBUGSCIMAGFNI-GASCZTMLSA-N 2 1 382.346 3.560 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000548154319 840861292 /nfs/dbraw/zinc/86/12/92/840861292.db2.gz ULBUGSCIMAGFNI-GASCZTMLSA-N 2 1 382.346 3.560 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652125152 840889582 /nfs/dbraw/zinc/88/95/82/840889582.db2.gz GBRGSEFLZIMKIB-QGZVFWFLSA-N 2 1 398.526 3.658 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000584837660 841034663 /nfs/dbraw/zinc/03/46/63/841034663.db2.gz KLBDKICCHOVPFK-UHFFFAOYSA-N 2 1 388.581 3.577 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1)c1ccc(C)cc1 ZINC000584839188 841035516 /nfs/dbraw/zinc/03/55/16/841035516.db2.gz IIBUTCMYZZTJEK-HDICACEKSA-N 2 1 384.549 3.568 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1)c1ccc(C)cc1 ZINC000584839188 841035524 /nfs/dbraw/zinc/03/55/24/841035524.db2.gz IIBUTCMYZZTJEK-HDICACEKSA-N 2 1 384.549 3.568 20 0 GHADMP Cc1ccc(COc2ccc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000584838984 841037008 /nfs/dbraw/zinc/03/70/08/841037008.db2.gz BOJITLGJUKKDKI-QFIPXVFZSA-N 2 1 380.532 3.761 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3ccccc3F)CC2)CC1 ZINC000581319195 841071248 /nfs/dbraw/zinc/07/12/48/841071248.db2.gz UHBDQRAXMXEDAR-QGZVFWFLSA-N 2 1 375.532 3.541 20 0 GHADMP c1ccc(C[NH2+]C2CCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000660678100 841091453 /nfs/dbraw/zinc/09/14/53/841091453.db2.gz RCFQMOCGSJHOAF-RUZDIDTESA-N 2 1 393.575 3.532 20 0 GHADMP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc2ccccc12 ZINC000177508895 861193660 /nfs/dbraw/zinc/19/36/60/861193660.db2.gz XKRLEZCHCSAKKN-ROUUACIJSA-N 2 1 382.552 3.650 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691776 861201624 /nfs/dbraw/zinc/20/16/24/861201624.db2.gz ZYPYDDKRPVSCKG-QOKNQOGYSA-N 2 1 381.358 3.725 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000191522105 841547132 /nfs/dbraw/zinc/54/71/32/841547132.db2.gz BDTKOZGOJPQXLL-UHFFFAOYSA-N 2 1 383.492 3.651 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000191522105 841547137 /nfs/dbraw/zinc/54/71/37/841547137.db2.gz BDTKOZGOJPQXLL-UHFFFAOYSA-N 2 1 383.492 3.651 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(C[NH2+]CC)CC1)c1ccc(Cl)cc1 ZINC000418186029 841621253 /nfs/dbraw/zinc/62/12/53/841621253.db2.gz RKGKPLBXCSFGQF-FQEVSTJZSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000563069574 841621852 /nfs/dbraw/zinc/62/18/52/841621852.db2.gz MKVIXWKRTQBOOU-KUHUBIRLSA-N 2 1 391.437 3.729 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001167828366 842116182 /nfs/dbraw/zinc/11/61/82/842116182.db2.gz XQBMNSLRLBOBHP-MNAPGUCWSA-N 2 1 386.584 3.538 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000652286081 842144097 /nfs/dbraw/zinc/14/40/97/842144097.db2.gz MFABNJYTCIJZBT-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000909378085 842188188 /nfs/dbraw/zinc/18/81/88/842188188.db2.gz CEFQFYKGXOCJDN-QGZVFWFLSA-N 2 1 379.932 3.624 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000909378085 842188195 /nfs/dbraw/zinc/18/81/95/842188195.db2.gz CEFQFYKGXOCJDN-QGZVFWFLSA-N 2 1 379.932 3.624 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccccc3Br)CC2)s1 ZINC000512036471 842243075 /nfs/dbraw/zinc/24/30/75/842243075.db2.gz JBHMYUOQJXEQQD-UHFFFAOYSA-N 2 1 380.355 3.789 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(Cl)c3Cl)cn2)CC1 ZINC000432235179 842259374 /nfs/dbraw/zinc/25/93/74/842259374.db2.gz YOYFEZUVYNRVQQ-UHFFFAOYSA-N 2 1 385.364 3.882 20 0 GHADMP CC[C@H](C)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000652336972 842281345 /nfs/dbraw/zinc/28/13/45/842281345.db2.gz XZEJRPCRVOXUJJ-INIZCTEOSA-N 2 1 376.504 3.782 20 0 GHADMP CC[C@H](C)[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000652336972 842281360 /nfs/dbraw/zinc/28/13/60/842281360.db2.gz XZEJRPCRVOXUJJ-INIZCTEOSA-N 2 1 376.504 3.782 20 0 GHADMP COc1ccc2c(c1)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000512047417 842326281 /nfs/dbraw/zinc/32/62/81/842326281.db2.gz ZXUYBIPNBYKRJW-UHFFFAOYSA-N 2 1 379.548 3.784 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000652361532 842369627 /nfs/dbraw/zinc/36/96/27/842369627.db2.gz JTNQOLKKTORTHR-PUHATCMVSA-N 2 1 393.531 3.800 20 0 GHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)n2)cc1 ZINC000652362112 842370193 /nfs/dbraw/zinc/37/01/93/842370193.db2.gz YDKXGVYOAZJGJY-AQNXPRMDSA-N 2 1 384.524 3.721 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000511909270 842377731 /nfs/dbraw/zinc/37/77/31/842377731.db2.gz IHBSUYOFUFZANW-BVSLBCMMSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000511909270 842377743 /nfs/dbraw/zinc/37/77/43/842377743.db2.gz IHBSUYOFUFZANW-BVSLBCMMSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000511909270 842377757 /nfs/dbraw/zinc/37/77/57/842377757.db2.gz IHBSUYOFUFZANW-BVSLBCMMSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1CCC[C@@](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)([NH+](C)C)C1 ZINC000432410014 842406724 /nfs/dbraw/zinc/40/67/24/842406724.db2.gz LAUJLPNRZOCCEN-WFXMFSGNSA-N 2 1 391.522 3.522 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)c(Cl)c1 ZINC000637198291 842416812 /nfs/dbraw/zinc/41/68/12/842416812.db2.gz NTRUJQOAKNTMSE-KRWWSPQJSA-N 2 1 399.366 3.521 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)c(Cl)c1 ZINC000637198293 842417012 /nfs/dbraw/zinc/41/70/12/842417012.db2.gz NTRUJQOAKNTMSE-MUSFGAPCSA-N 2 1 399.366 3.521 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3ccccc3F)cc2)C[C@H](C)O1 ZINC000585812211 842422176 /nfs/dbraw/zinc/42/21/76/842422176.db2.gz RKPPHBFBUWEDAM-HDICACEKSA-N 2 1 399.510 3.553 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000432419335 842438660 /nfs/dbraw/zinc/43/86/60/842438660.db2.gz BDKSFLUVBWOJSD-SJORKVTESA-N 2 1 390.959 3.986 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1-c1cccc(Cl)c1 ZINC000432419335 842438663 /nfs/dbraw/zinc/43/86/63/842438663.db2.gz BDKSFLUVBWOJSD-SJORKVTESA-N 2 1 390.959 3.986 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000512099367 842486085 /nfs/dbraw/zinc/48/60/85/842486085.db2.gz MUDUMZMTBZGIFH-HDICACEKSA-N 2 1 386.609 3.972 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000512099367 842486087 /nfs/dbraw/zinc/48/60/87/842486087.db2.gz MUDUMZMTBZGIFH-HDICACEKSA-N 2 1 386.609 3.972 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1 ZINC000178170626 861327996 /nfs/dbraw/zinc/32/79/96/861327996.db2.gz SNCFBSRBYWVRNZ-HNNXBMFYSA-N 2 1 382.895 3.915 20 0 GHADMP Cc1nn(C)c(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1Br ZINC000279205999 842713141 /nfs/dbraw/zinc/71/31/41/842713141.db2.gz VNMOABMRTJHAIF-UHFFFAOYSA-N 2 1 379.346 3.621 20 0 GHADMP Cc1nn(C)c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1Br ZINC000279205999 842713148 /nfs/dbraw/zinc/71/31/48/842713148.db2.gz VNMOABMRTJHAIF-UHFFFAOYSA-N 2 1 379.346 3.621 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000581953667 842801606 /nfs/dbraw/zinc/80/16/06/842801606.db2.gz VXGMBUZVARQITE-VWLOTQADSA-N 2 1 391.559 3.529 20 0 GHADMP Brc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662252569 843019405 /nfs/dbraw/zinc/01/94/05/843019405.db2.gz ASUKRYUEKSZUTJ-FQEVSTJZSA-N 2 1 387.321 3.668 20 0 GHADMP Brc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662252569 843019411 /nfs/dbraw/zinc/01/94/11/843019411.db2.gz ASUKRYUEKSZUTJ-FQEVSTJZSA-N 2 1 387.321 3.668 20 0 GHADMP Brc1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662252570 843019476 /nfs/dbraw/zinc/01/94/76/843019476.db2.gz ASUKRYUEKSZUTJ-HXUWFJFHSA-N 2 1 387.321 3.668 20 0 GHADMP Brc1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662252570 843019484 /nfs/dbraw/zinc/01/94/84/843019484.db2.gz ASUKRYUEKSZUTJ-HXUWFJFHSA-N 2 1 387.321 3.668 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662280150 843058172 /nfs/dbraw/zinc/05/81/72/843058172.db2.gz CXLBEYIXTRLDSN-YTFSRNRJSA-N 2 1 378.516 3.747 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312413 843132706 /nfs/dbraw/zinc/13/27/06/843132706.db2.gz BZCNWDMIAMGGNX-DYESRHJHSA-N 2 1 397.567 3.657 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)CCO1 ZINC000662324201 843140591 /nfs/dbraw/zinc/14/05/91/843140591.db2.gz ZDHLBRIZMPTEBA-NRFANRHFSA-N 2 1 395.547 3.725 20 0 GHADMP COc1cccc(C(=O)N2CCC([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)CC2)c1 ZINC001167878690 843165916 /nfs/dbraw/zinc/16/59/16/843165916.db2.gz KBPTUKBHHFNQFJ-NRFANRHFSA-N 2 1 399.579 3.640 20 0 GHADMP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000662394329 843191525 /nfs/dbraw/zinc/19/15/25/843191525.db2.gz FBCKGUODGCOGBW-KRWDZBQOSA-N 2 1 399.501 3.797 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000178695479 861397700 /nfs/dbraw/zinc/39/77/00/861397700.db2.gz APRXSEOZIZRUBO-CVEARBPZSA-N 2 1 376.932 3.508 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000933815472 843335011 /nfs/dbraw/zinc/33/50/11/843335011.db2.gz DSBIWDBPQKJWNU-NRFANRHFSA-N 2 1 395.547 3.860 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000500442292 843357731 /nfs/dbraw/zinc/35/77/31/843357731.db2.gz TUFKOJMANJMRQH-FOVJLYNBSA-N 2 1 379.548 3.854 20 0 GHADMP c1cc(C[N@H+](CCOCCOc2ccccc2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000432658100 843357950 /nfs/dbraw/zinc/35/79/50/843357950.db2.gz PDBDPRNNPWCYDH-NRFANRHFSA-N 2 1 386.561 3.788 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NCC1CCCCC1 ZINC000432673080 843403513 /nfs/dbraw/zinc/40/35/13/843403513.db2.gz UVESUHVYTHLKGT-HXUWFJFHSA-N 2 1 389.609 3.779 20 0 GHADMP C[NH2+][C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1cccc(Cl)c1Cl ZINC000662571316 843413829 /nfs/dbraw/zinc/41/38/29/843413829.db2.gz MMGYGMBRBRQENX-OAHLLOKOSA-N 2 1 399.347 3.816 20 0 GHADMP CCN(C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000432673449 843421530 /nfs/dbraw/zinc/42/15/30/843421530.db2.gz XMOLHSILMKBJBK-FQEVSTJZSA-N 2 1 383.561 3.745 20 0 GHADMP CCN(C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000432673449 843421535 /nfs/dbraw/zinc/42/15/35/843421535.db2.gz XMOLHSILMKBJBK-FQEVSTJZSA-N 2 1 383.561 3.745 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000418663071 843515765 /nfs/dbraw/zinc/51/57/65/843515765.db2.gz WGNREMAHKGAASA-QTEQDKRBSA-N 2 1 394.563 3.771 20 0 GHADMP COc1ccccc1-c1nc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000276846903 843544763 /nfs/dbraw/zinc/54/47/63/843544763.db2.gz SXBZZWNQOKVDKS-GOSISDBHSA-N 2 1 384.524 3.799 20 0 GHADMP COc1ccccc1-c1nc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000276846903 843544774 /nfs/dbraw/zinc/54/47/74/843544774.db2.gz SXBZZWNQOKVDKS-GOSISDBHSA-N 2 1 384.524 3.799 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000510840876 843606418 /nfs/dbraw/zinc/60/64/18/843606418.db2.gz CNRAJDBAPIHGPL-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000510840876 843606420 /nfs/dbraw/zinc/60/64/20/843606420.db2.gz CNRAJDBAPIHGPL-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000510840876 843606422 /nfs/dbraw/zinc/60/64/22/843606422.db2.gz CNRAJDBAPIHGPL-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088682 843642951 /nfs/dbraw/zinc/64/29/51/843642951.db2.gz KYKGPRRXSPWHBE-UHFFFAOYSA-N 2 1 391.357 3.717 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)CC1CC[NH+](C)CC1 ZINC000093088932 843647839 /nfs/dbraw/zinc/64/78/39/843647839.db2.gz BRAGKCXEYVYADT-UHFFFAOYSA-N 2 1 375.520 3.708 20 0 GHADMP Brc1ccc(C[N@@H+](CC[C@H]2CCCCO2)CCn2ccnc2)o1 ZINC000510874991 843687783 /nfs/dbraw/zinc/68/77/83/843687783.db2.gz SNAJIIPHRUJOHY-OAHLLOKOSA-N 2 1 382.302 3.700 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001167821084 843696590 /nfs/dbraw/zinc/69/65/90/843696590.db2.gz AKRKZJCEOIUKKV-KZKAQZJJSA-N 2 1 389.584 3.731 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001167822218 843722349 /nfs/dbraw/zinc/72/23/49/843722349.db2.gz HIWWFLRGTURFSB-AKIFATBCSA-N 2 1 389.584 3.732 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(F)ccc3Br)CC2)C[C@H](C)O1 ZINC000303240891 843726251 /nfs/dbraw/zinc/72/62/51/843726251.db2.gz JOULNYSEISQLJO-GJZGRUSLSA-N 2 1 399.348 3.909 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512418983 843746907 /nfs/dbraw/zinc/74/69/07/843746907.db2.gz UJBRIQUWWUYKNL-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC4([NH+]5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616566 844752294 /nfs/dbraw/zinc/75/22/94/844752294.db2.gz BRKSANZUUJQBIF-KMDXXIMOSA-N 3 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616566 844752299 /nfs/dbraw/zinc/75/22/99/844752299.db2.gz BRKSANZUUJQBIF-KMDXXIMOSA-N 3 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000512616566 844752305 /nfs/dbraw/zinc/75/23/05/844752305.db2.gz BRKSANZUUJQBIF-KMDXXIMOSA-N 2 1 397.607 3.522 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)NC1CCCCC1 ZINC000512621179 844765949 /nfs/dbraw/zinc/76/59/49/844765949.db2.gz VGTCXSDSQOAKIA-MDNUFGMLSA-N 2 1 383.580 3.716 20 0 GHADMP Fc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000549869342 845021201 /nfs/dbraw/zinc/02/12/01/845021201.db2.gz KGGLZGDNTNYCAC-FQEVSTJZSA-N 2 1 386.486 3.983 20 0 GHADMP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000549869342 845021206 /nfs/dbraw/zinc/02/12/06/845021206.db2.gz KGGLZGDNTNYCAC-FQEVSTJZSA-N 2 1 386.486 3.983 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000512692192 845066445 /nfs/dbraw/zinc/06/64/45/845066445.db2.gz CDFWAEDBRHKZAK-CALCHBBNSA-N 2 1 385.474 3.576 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000512692192 845066454 /nfs/dbraw/zinc/06/64/54/845066454.db2.gz CDFWAEDBRHKZAK-CALCHBBNSA-N 2 1 385.474 3.576 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000513237868 845125594 /nfs/dbraw/zinc/12/55/94/845125594.db2.gz GOZHUOCPMOHNGL-GFRNBQLOSA-N 2 1 388.502 3.866 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000513237868 845125600 /nfs/dbraw/zinc/12/56/00/845125600.db2.gz GOZHUOCPMOHNGL-GFRNBQLOSA-N 2 1 388.502 3.866 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510994855 845280166 /nfs/dbraw/zinc/28/01/66/845280166.db2.gz BKOVBWGKCCELSH-OAQYLSRUSA-N 2 1 385.596 3.914 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510994855 845280172 /nfs/dbraw/zinc/28/01/72/845280172.db2.gz BKOVBWGKCCELSH-OAQYLSRUSA-N 2 1 385.596 3.914 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000512740212 845291646 /nfs/dbraw/zinc/29/16/46/845291646.db2.gz NSNYILOWIQAVEJ-HYBUGGRVSA-N 2 1 393.575 3.820 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000512740212 845291654 /nfs/dbraw/zinc/29/16/54/845291654.db2.gz NSNYILOWIQAVEJ-HYBUGGRVSA-N 2 1 393.575 3.820 20 0 GHADMP Brc1cc(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)on1 ZINC001167498712 845293639 /nfs/dbraw/zinc/29/36/39/845293639.db2.gz KKRJEIVCJMRTET-CYBMUJFWSA-N 2 1 390.285 3.714 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391544 861561227 /nfs/dbraw/zinc/56/12/27/861561227.db2.gz ZDDMLQABHGJYCC-KRWDZBQOSA-N 2 1 384.499 3.786 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cc12 ZINC000513488606 845522015 /nfs/dbraw/zinc/52/20/15/845522015.db2.gz YIPSNTMLCJPMBE-XLIONFOSSA-N 2 1 377.536 3.667 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000513488384 845539192 /nfs/dbraw/zinc/53/91/92/845539192.db2.gz UCKZBMYKCBVRAW-FPOVZHCZSA-N 2 1 385.596 3.914 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000511011219 845554525 /nfs/dbraw/zinc/55/45/25/845554525.db2.gz HRDJHBROQSBHTM-AWEZNQCLSA-N 2 1 397.304 3.797 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472070102 845692140 /nfs/dbraw/zinc/69/21/40/845692140.db2.gz ZCVBSUNAAPWNGN-UNMCSNQZSA-N 2 1 388.600 3.660 20 0 GHADMP c1ccc(N2CC[NH+](CCCN3CCC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000509139318 861664248 /nfs/dbraw/zinc/66/42/48/861664248.db2.gz NNUNLGIIOAEVMR-RUZDIDTESA-N 2 1 391.559 3.720 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000582131446 846431676 /nfs/dbraw/zinc/43/16/76/846431676.db2.gz IEBSWSDEAOEOIT-DNQXCXABSA-N 2 1 397.607 3.977 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCSC3CCCCC3)CC2)C[C@H](C)O1 ZINC000500989662 846526379 /nfs/dbraw/zinc/52/63/79/846526379.db2.gz HGQZGNRKVLIBQM-OALUTQOASA-N 2 1 384.630 3.643 20 0 GHADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019120 846554749 /nfs/dbraw/zinc/55/47/49/846554749.db2.gz HLXYFWCDDMZNFR-HSZRJFAPSA-N 2 1 394.563 3.840 20 0 GHADMP CCn1c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc2c1cccc2F ZINC000501042897 846566193 /nfs/dbraw/zinc/56/61/93/846566193.db2.gz AIFSHDJJRFVEAS-UHFFFAOYSA-N 2 1 381.499 3.939 20 0 GHADMP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501066042 846597268 /nfs/dbraw/zinc/59/72/68/846597268.db2.gz CDDVFKUSHWMGRW-SFHVURJKSA-N 2 1 396.535 3.656 20 0 GHADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501052684 846603386 /nfs/dbraw/zinc/60/33/86/846603386.db2.gz LKQQSHKXZRPHGR-KRWDZBQOSA-N 2 1 384.499 3.705 20 0 GHADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090890 846612632 /nfs/dbraw/zinc/61/26/32/846612632.db2.gz TYYRPOCAIIVQAI-YXTQBTIXSA-N 2 1 386.584 3.559 20 0 GHADMP C[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501076835 846618100 /nfs/dbraw/zinc/61/81/00/846618100.db2.gz HAMLZFXGQLLEGZ-UHFFFAOYSA-N 2 1 379.483 3.755 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000502948595 846645203 /nfs/dbraw/zinc/64/52/03/846645203.db2.gz CKXMTPJKBLZQTI-PMACEKPBSA-N 2 1 388.600 3.927 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000503086068 846789732 /nfs/dbraw/zinc/78/97/32/846789732.db2.gz JKXITOACESVRFB-HXUWFJFHSA-N 2 1 388.531 3.946 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000503086068 846789745 /nfs/dbraw/zinc/78/97/45/846789745.db2.gz JKXITOACESVRFB-HXUWFJFHSA-N 2 1 388.531 3.946 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000419914682 846882170 /nfs/dbraw/zinc/88/21/70/846882170.db2.gz BOJNEMLSBUNCBU-IBGZPJMESA-N 2 1 386.584 3.922 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000513713030 846891214 /nfs/dbraw/zinc/89/12/14/846891214.db2.gz JCQSIQDMKXBPFI-BBHUYCHWSA-N 2 1 377.532 3.825 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)cc2)CC1 ZINC000501416935 846902890 /nfs/dbraw/zinc/90/28/90/846902890.db2.gz FYGWRCSHZIFOQC-UPVQGACJSA-N 2 1 378.564 3.645 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657398807 846928260 /nfs/dbraw/zinc/92/82/60/846928260.db2.gz NGYZRFPNKRSDKE-QWHZDKJVSA-N 2 1 380.458 3.685 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657398807 846928270 /nfs/dbraw/zinc/92/82/70/846928270.db2.gz NGYZRFPNKRSDKE-QWHZDKJVSA-N 2 1 380.458 3.685 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272415031 847072377 /nfs/dbraw/zinc/07/23/77/847072377.db2.gz GAQLFZXAEZIYKM-GOEBONIOSA-N 2 1 391.437 3.543 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272415031 847072386 /nfs/dbraw/zinc/07/23/86/847072386.db2.gz GAQLFZXAEZIYKM-GOEBONIOSA-N 2 1 391.437 3.543 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272473102 847086046 /nfs/dbraw/zinc/08/60/46/847086046.db2.gz RYKDAKROGCYHPY-UYAOXDASSA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272473102 847086050 /nfs/dbraw/zinc/08/60/50/847086050.db2.gz RYKDAKROGCYHPY-UYAOXDASSA-N 2 1 381.524 3.613 20 0 GHADMP CCc1ccc([C@H]([NH2+]CCn2cc[nH+]c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272529011 847101973 /nfs/dbraw/zinc/10/19/73/847101973.db2.gz ZFTFUPSVXXEKNO-QFIPXVFZSA-N 2 1 397.544 3.537 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC2(C)CC[NH+](C)CC2)cs1)c1ccc(F)cc1 ZINC000272638464 847131400 /nfs/dbraw/zinc/13/14/00/847131400.db2.gz YVIDARWDMPQAAH-UHFFFAOYSA-N 2 1 390.528 3.788 20 0 GHADMP C[NH+](C)CCCC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000501770153 847164116 /nfs/dbraw/zinc/16/41/16/847164116.db2.gz NFXOMYHIFWCMNV-FQEVSTJZSA-N 2 1 377.960 3.889 20 0 GHADMP C[C@@H](Nc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272857689 847191231 /nfs/dbraw/zinc/19/12/31/847191231.db2.gz UGQVDYIXUCGSJI-TZIWHRDSSA-N 2 1 379.548 3.970 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000501855215 847264463 /nfs/dbraw/zinc/26/44/63/847264463.db2.gz LXLBTRLMVACQEJ-KLJZETAQSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501855215 847264477 /nfs/dbraw/zinc/26/44/77/847264477.db2.gz LXLBTRLMVACQEJ-KLJZETAQSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501855215 847264490 /nfs/dbraw/zinc/26/44/90/847264490.db2.gz LXLBTRLMVACQEJ-KLJZETAQSA-N 2 1 398.595 3.602 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2)ncn1 ZINC000159069793 847473838 /nfs/dbraw/zinc/47/38/38/847473838.db2.gz RURFSHQZZJBCEX-QGZVFWFLSA-N 2 1 390.535 3.853 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420959127 847579749 /nfs/dbraw/zinc/57/97/49/847579749.db2.gz FULIYFKJJZGWJM-JOCHJYFZSA-N 2 1 396.531 3.571 20 0 GHADMP COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc[nH+]cc2Br)cc1 ZINC000503564118 847787341 /nfs/dbraw/zinc/78/73/41/847787341.db2.gz ZFCOOFIXCIYITI-SFHVURJKSA-N 2 1 376.298 3.524 20 0 GHADMP c1ccc([C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[NH+]2CCCC2)cc1 ZINC000422735201 847789596 /nfs/dbraw/zinc/78/95/96/847789596.db2.gz VTITXGDYIOFBFL-FIXSFTCYSA-N 2 1 377.532 3.669 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422727988 847800735 /nfs/dbraw/zinc/80/07/35/847800735.db2.gz IMWVJIOPDWEJGX-NQIIRXRSSA-N 2 1 395.551 3.804 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831365 847844661 /nfs/dbraw/zinc/84/46/61/847844661.db2.gz DXOKZKWTRFTDAE-RZFNWQHOSA-N 3 1 397.588 3.806 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831365 847844667 /nfs/dbraw/zinc/84/46/67/847844667.db2.gz DXOKZKWTRFTDAE-RZFNWQHOSA-N 3 1 397.588 3.806 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831365 847844672 /nfs/dbraw/zinc/84/46/72/847844672.db2.gz DXOKZKWTRFTDAE-RZFNWQHOSA-N 2 1 397.588 3.806 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831365 847844678 /nfs/dbraw/zinc/84/46/78/847844678.db2.gz DXOKZKWTRFTDAE-RZFNWQHOSA-N 2 1 397.588 3.806 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854050 847855727 /nfs/dbraw/zinc/85/57/27/847855727.db2.gz CKHACIZXKZTUEH-UPVQGACJSA-N 3 1 379.548 3.872 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854050 847855734 /nfs/dbraw/zinc/85/57/34/847855734.db2.gz CKHACIZXKZTUEH-UPVQGACJSA-N 2 1 379.548 3.872 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854050 847855742 /nfs/dbraw/zinc/85/57/42/847855742.db2.gz CKHACIZXKZTUEH-UPVQGACJSA-N 2 1 379.548 3.872 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000115628901 847873611 /nfs/dbraw/zinc/87/36/11/847873611.db2.gz DLBUJFCGKPYDDY-RDTXWAMCSA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)[C@H](C)C1 ZINC000115628901 847873619 /nfs/dbraw/zinc/87/36/19/847873619.db2.gz DLBUJFCGKPYDDY-RDTXWAMCSA-N 2 1 387.337 3.815 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])c2)n1 ZINC000423071421 847962136 /nfs/dbraw/zinc/96/21/36/847962136.db2.gz HUNBHUDZWHFINV-BEFAXECRSA-N 2 1 395.528 3.645 20 0 GHADMP CCCN(C(=O)c1ccc(C[NH+](C)C)nc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000582678367 847990887 /nfs/dbraw/zinc/99/08/87/847990887.db2.gz BEFHQFYLNUNQNS-QHCPKHFHSA-N 2 1 394.563 3.660 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)C(=O)NCC3CCCCC3)C2)s1 ZINC000583348655 848084887 /nfs/dbraw/zinc/08/48/87/848084887.db2.gz ZDFOTMOMWMERPM-UYAOXDASSA-N 2 1 391.625 3.895 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000075956049 848195413 /nfs/dbraw/zinc/19/54/13/848195413.db2.gz JSJGBWXZNSBBPT-LJQANCHMSA-N 2 1 379.548 3.947 20 0 GHADMP CO[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COCc1ccccc1 ZINC000657590898 848278324 /nfs/dbraw/zinc/27/83/24/848278324.db2.gz PERRELLLMRMJIE-XMMPIXPASA-N 2 1 382.548 3.863 20 0 GHADMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc2ccccc21 ZINC000657595250 848288273 /nfs/dbraw/zinc/28/82/73/848288273.db2.gz GBBDRMBHBNDCBC-JOCHJYFZSA-N 2 1 376.500 3.705 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc(OC)c(Cl)c3)CC2)CC1 ZINC000582795217 848397292 /nfs/dbraw/zinc/39/72/92/848397292.db2.gz YBXVTEVBFGPRCU-UHFFFAOYSA-N 2 1 393.959 3.508 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000180031873 861915369 /nfs/dbraw/zinc/91/53/69/861915369.db2.gz LJVJGZYLHCTOQR-XMMPIXPASA-N 2 1 395.547 3.834 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000180104564 861955445 /nfs/dbraw/zinc/95/54/45/861955445.db2.gz MOBAVFQAJMZLGS-BJKOFHAPSA-N 2 1 391.559 3.933 20 0 GHADMP COc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000583136292 849151710 /nfs/dbraw/zinc/15/17/10/849151710.db2.gz PFFSHGMJWLOGAR-PXNSSMCTSA-N 2 1 384.520 3.894 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000555855792 862006949 /nfs/dbraw/zinc/00/69/49/862006949.db2.gz FFGFSLYHXFWUSM-GOTSBHOMSA-N 2 1 394.563 3.707 20 0 GHADMP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098938 849742817 /nfs/dbraw/zinc/74/28/17/849742817.db2.gz DLZGHAKLZCQMMI-LKIWGRCWSA-N 2 1 391.987 3.611 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853191 849758730 /nfs/dbraw/zinc/75/87/30/849758730.db2.gz SEDNDHCWNHMEMH-CXAGYDPISA-N 2 1 387.446 3.800 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140674 849772232 /nfs/dbraw/zinc/77/22/32/849772232.db2.gz ZCDJGPOFCOOUFA-NHTMILBNSA-N 2 1 399.623 3.816 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140674 849772239 /nfs/dbraw/zinc/77/22/39/849772239.db2.gz ZCDJGPOFCOOUFA-NHTMILBNSA-N 3 1 399.623 3.816 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140674 849772246 /nfs/dbraw/zinc/77/22/46/849772246.db2.gz ZCDJGPOFCOOUFA-NHTMILBNSA-N 3 1 399.623 3.816 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)cc1 ZINC000423332468 849869195 /nfs/dbraw/zinc/86/91/95/849869195.db2.gz NKSAPDOCEXJIIW-WQTXXOFMSA-N 2 1 398.547 3.687 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000423340650 849873895 /nfs/dbraw/zinc/87/38/95/849873895.db2.gz SUSAEWFXFMUOOV-HSQYWUDLSA-N 2 1 398.547 3.687 20 0 GHADMP CC(C)(C)C1=CC[N@@H+](CCNC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000425251322 849926868 /nfs/dbraw/zinc/92/68/68/849926868.db2.gz FIYDPWXNPKJJCL-FQEVSTJZSA-N 2 1 380.536 3.726 20 0 GHADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC000423515020 849962657 /nfs/dbraw/zinc/96/26/57/849962657.db2.gz UZCPOTIPKLPIBD-IPJUCJBFSA-N 2 1 379.976 3.994 20 0 GHADMP Clc1ccc([C@H](Cc2cccnc2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423522251 849966486 /nfs/dbraw/zinc/96/64/86/849966486.db2.gz UIVHLRSUTWPCOA-VNXZQDSDSA-N 2 1 398.982 3.825 20 0 GHADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1F ZINC000423521772 849966509 /nfs/dbraw/zinc/96/65/09/849966509.db2.gz SZRCIJDGEZNZDQ-PELUFGRGSA-N 2 1 389.559 3.667 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760971 850058688 /nfs/dbraw/zinc/05/86/88/850058688.db2.gz ZNQOBJMOVVQAGR-APWZRJJASA-N 2 1 397.485 3.820 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000423958338 850123028 /nfs/dbraw/zinc/12/30/28/850123028.db2.gz BAIGZCLBRBTRKF-ZEQRLZLVSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)CC(C)C ZINC000426448617 850210688 /nfs/dbraw/zinc/21/06/88/850210688.db2.gz COQCZHBPLLEKHV-MRXNPFEDSA-N 2 1 393.482 3.691 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)CC2)cs1 ZINC000424312846 850356749 /nfs/dbraw/zinc/35/67/49/850356749.db2.gz NDHUOYOVYXZVHL-XGPVDZAGSA-N 2 1 377.598 3.711 20 0 GHADMP FC(F)(F)C(F)(F)COCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000514831632 850362857 /nfs/dbraw/zinc/36/28/57/850362857.db2.gz PBLUQKMPEMEOLD-SJORKVTESA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000514831632 850362868 /nfs/dbraw/zinc/36/28/68/850362868.db2.gz PBLUQKMPEMEOLD-SJORKVTESA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000514831632 850362875 /nfs/dbraw/zinc/36/28/75/850362875.db2.gz PBLUQKMPEMEOLD-SJORKVTESA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000514831632 850362881 /nfs/dbraw/zinc/36/28/81/850362881.db2.gz PBLUQKMPEMEOLD-SJORKVTESA-N 2 1 392.412 3.655 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000435335450 850385566 /nfs/dbraw/zinc/38/55/66/850385566.db2.gz LAJHVZAPYABJJT-LJQANCHMSA-N 2 1 375.532 3.907 20 0 GHADMP CCOc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc(Br)c1OC ZINC000424372078 850411840 /nfs/dbraw/zinc/41/18/40/850411840.db2.gz FKQFDONYWRJJTM-CQSZACIVSA-N 2 1 397.357 3.820 20 0 GHADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000504893824 850420428 /nfs/dbraw/zinc/42/04/28/850420428.db2.gz IHVLVLLIEIOOHK-GCJKJVERSA-N 2 1 377.532 3.721 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)c2C)cc1 ZINC000424388606 850426667 /nfs/dbraw/zinc/42/66/67/850426667.db2.gz ZIHLSIUTRFKKOG-KRWDZBQOSA-N 2 1 382.552 3.521 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CCN1C ZINC000180424169 862132304 /nfs/dbraw/zinc/13/23/04/862132304.db2.gz YPWIETHUNVZJOE-DGCLKSJQSA-N 2 1 377.273 3.965 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H](F)C1 ZINC001167965330 850491301 /nfs/dbraw/zinc/49/13/01/850491301.db2.gz BERDOKSGGZMCFZ-NWJVMNJYSA-N 2 1 395.563 3.577 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965363 850518355 /nfs/dbraw/zinc/51/83/55/850518355.db2.gz CETYBUINIVTUSC-MFXLTOHQSA-N 2 1 377.573 3.629 20 0 GHADMP c1ccc(-c2noc(CCC[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435618326 850704981 /nfs/dbraw/zinc/70/49/81/850704981.db2.gz QBTXUYOACJJPLE-OAQYLSRUSA-N 2 1 391.519 3.709 20 0 GHADMP c1ccc(-c2noc(CCC[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435618326 850704989 /nfs/dbraw/zinc/70/49/89/850704989.db2.gz QBTXUYOACJJPLE-OAQYLSRUSA-N 2 1 391.519 3.709 20 0 GHADMP COc1cc(Br)c(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414816005 850709796 /nfs/dbraw/zinc/70/97/96/850709796.db2.gz YUUPFPSTSCLZFY-LBPRGKRZSA-N 2 1 379.298 3.776 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000515162860 850728776 /nfs/dbraw/zinc/72/87/76/850728776.db2.gz SHUNHBKMMQSLIH-JOCHJYFZSA-N 2 1 397.538 3.749 20 0 GHADMP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000505259610 850767546 /nfs/dbraw/zinc/76/75/46/850767546.db2.gz AXEGOQXMUMVKED-FQEVSTJZSA-N 2 1 383.580 3.548 20 0 GHADMP CSc1ccc(OCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435691720 850770463 /nfs/dbraw/zinc/77/04/63/850770463.db2.gz HROZBDQJSKTKAA-SFHVURJKSA-N 2 1 389.590 3.888 20 0 GHADMP CSc1ccc(OCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435691720 850770469 /nfs/dbraw/zinc/77/04/69/850770469.db2.gz HROZBDQJSKTKAA-SFHVURJKSA-N 2 1 389.590 3.888 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000519225951 850780309 /nfs/dbraw/zinc/78/03/09/850780309.db2.gz ADPJMBADTWKDNA-ZWKOTPCHSA-N 2 1 377.548 3.835 20 0 GHADMP Cc1ncsc1C[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000435734713 850821517 /nfs/dbraw/zinc/82/15/17/850821517.db2.gz XXKYOCDLZABSRJ-OAHLLOKOSA-N 2 1 392.956 3.545 20 0 GHADMP Cc1ncsc1C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000435734713 850821524 /nfs/dbraw/zinc/82/15/24/850821524.db2.gz XXKYOCDLZABSRJ-OAHLLOKOSA-N 2 1 392.956 3.545 20 0 GHADMP C[NH+](C)[C@H](CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425032419 850853599 /nfs/dbraw/zinc/85/35/99/850853599.db2.gz CBFCSZJNDAZKFR-QGZVFWFLSA-N 2 1 386.565 3.931 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414832420 850869602 /nfs/dbraw/zinc/86/96/02/850869602.db2.gz DMEIZYDVTJZNOR-DYVFJYSZSA-N 2 1 382.346 3.663 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000519353466 850962688 /nfs/dbraw/zinc/96/26/88/850962688.db2.gz NAQYNNSDZUPHOT-NZQKXSOJSA-N 2 1 398.595 3.688 20 0 GHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440262249 850975972 /nfs/dbraw/zinc/97/59/72/850975972.db2.gz WMPHNJIDOJFHTD-NOZRDPDXSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440262249 850975973 /nfs/dbraw/zinc/97/59/73/850975973.db2.gz WMPHNJIDOJFHTD-NOZRDPDXSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000440262249 850975975 /nfs/dbraw/zinc/97/59/75/850975975.db2.gz WMPHNJIDOJFHTD-NOZRDPDXSA-N 2 1 395.591 3.908 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000519387073 850993844 /nfs/dbraw/zinc/99/38/44/850993844.db2.gz NZALMBYIZDYRPW-HBMCJLEFSA-N 2 1 378.605 3.547 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434353934 851024307 /nfs/dbraw/zinc/02/43/07/851024307.db2.gz YGLVOTYAVUORRU-IBGZPJMESA-N 2 1 392.613 3.618 20 0 GHADMP CCC1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000513993364 851094247 /nfs/dbraw/zinc/09/42/47/851094247.db2.gz AQESRQZACMYPPK-FGZHOGPDSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000488031001 851095925 /nfs/dbraw/zinc/09/59/25/851095925.db2.gz CLCSWMJULFYDNO-LZJOCLMNSA-N 2 1 385.939 3.770 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1)CC1CC1 ZINC000514127185 851269762 /nfs/dbraw/zinc/26/97/62/851269762.db2.gz RHISAUPAKAXPGI-QHCPKHFHSA-N 2 1 397.607 3.983 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc12 ZINC001167968573 851276612 /nfs/dbraw/zinc/27/66/12/851276612.db2.gz RROQUGMODCWCPA-BQTZMPSMSA-N 2 1 395.547 3.652 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167968573 851276623 /nfs/dbraw/zinc/27/66/23/851276623.db2.gz RROQUGMODCWCPA-BQTZMPSMSA-N 2 1 395.547 3.652 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000515642709 851302574 /nfs/dbraw/zinc/30/25/74/851302574.db2.gz NUAFEMYEGQOAEB-FQEVSTJZSA-N 2 1 380.467 3.662 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1)CC(C)C ZINC000519528840 851326003 /nfs/dbraw/zinc/32/60/03/851326003.db2.gz OQKHOUTWSSLORX-UHFFFAOYSA-N 2 1 386.584 3.944 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1)N1CCCC1 ZINC000436295114 851430755 /nfs/dbraw/zinc/43/07/55/851430755.db2.gz RBBUTDWNGGWJCU-OYTPZHDJSA-N 2 1 395.591 3.668 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167960702 851510676 /nfs/dbraw/zinc/51/06/76/851510676.db2.gz AENXEHBOQKHYEW-XUBOLADHSA-N 2 1 375.354 3.911 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2s1 ZINC000505803720 851524017 /nfs/dbraw/zinc/52/40/17/851524017.db2.gz XCSINOQRBHJBFE-KRWDZBQOSA-N 2 1 377.529 3.529 20 0 GHADMP CC[N@@H+](CCc1ccccc1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488514075 851579172 /nfs/dbraw/zinc/57/91/72/851579172.db2.gz MRNVQKPKDGJCFL-NRFANRHFSA-N 2 1 393.575 3.720 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473743588 851818379 /nfs/dbraw/zinc/81/83/79/851818379.db2.gz NQPQMNIKXZSFSE-YJMBLLCNSA-N 2 1 386.584 3.726 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000894658166 851833643 /nfs/dbraw/zinc/83/36/43/851833643.db2.gz RQJBDMANDVDZRI-JOCHJYFZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000673961544 862309349 /nfs/dbraw/zinc/30/93/49/862309349.db2.gz TZUNJKIMVPQPLG-KRWDZBQOSA-N 2 1 382.508 3.653 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000673961544 862309361 /nfs/dbraw/zinc/30/93/61/862309361.db2.gz TZUNJKIMVPQPLG-KRWDZBQOSA-N 2 1 382.508 3.653 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC[C@](C)(c4ccccc4)C3)cc2)CC1 ZINC000438087709 852009043 /nfs/dbraw/zinc/00/90/43/852009043.db2.gz MOEJTVXPECYSIC-NOZRDPDXSA-N 2 1 391.559 3.674 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1C(F)(F)F ZINC000517557000 852095325 /nfs/dbraw/zinc/09/53/25/852095325.db2.gz ZGBVEDFGXXSNKZ-ICSRJNTNSA-N 2 1 392.465 3.721 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000102037775 852103925 /nfs/dbraw/zinc/10/39/25/852103925.db2.gz HFHFUYGIQLYJSO-NRFANRHFSA-N 2 1 398.551 3.676 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167982832 852163737 /nfs/dbraw/zinc/16/37/37/852163737.db2.gz BUWDMAWCIYLULD-AIZNXBIQSA-N 2 1 382.548 3.556 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167982832 852163743 /nfs/dbraw/zinc/16/37/43/852163743.db2.gz BUWDMAWCIYLULD-AIZNXBIQSA-N 2 1 382.548 3.556 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167982832 852163749 /nfs/dbraw/zinc/16/37/49/852163749.db2.gz BUWDMAWCIYLULD-AIZNXBIQSA-N 2 1 382.548 3.556 20 0 GHADMP COc1cc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)ccc1O ZINC000112341225 852274225 /nfs/dbraw/zinc/27/42/25/852274225.db2.gz VNWVVGBKQKRWJW-UHFFFAOYSA-N 2 1 387.549 3.832 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(Oc4ccccc4F)c(F)c3)C2)nn1 ZINC000517722851 852309834 /nfs/dbraw/zinc/30/98/34/852309834.db2.gz XGEKZEXRJVBROA-QGZVFWFLSA-N 2 1 399.445 3.644 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000506921252 852338413 /nfs/dbraw/zinc/33/84/13/852338413.db2.gz HRZPDOOCGFEZPL-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000506921252 852338425 /nfs/dbraw/zinc/33/84/25/852338425.db2.gz HRZPDOOCGFEZPL-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000506921252 852338431 /nfs/dbraw/zinc/33/84/31/852338431.db2.gz HRZPDOOCGFEZPL-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000506926620 852344068 /nfs/dbraw/zinc/34/40/68/852344068.db2.gz LALNECNHAAUQLS-UHFFFAOYSA-N 2 1 379.346 3.651 20 0 GHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)CCCO2 ZINC000489487508 852395882 /nfs/dbraw/zinc/39/58/82/852395882.db2.gz VRULOSLCORGTAN-NRFANRHFSA-N 2 1 387.568 3.556 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000489604109 852481706 /nfs/dbraw/zinc/48/17/06/852481706.db2.gz MOYJACKFJRTTQJ-HLAWJBBLSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000490248701 852865487 /nfs/dbraw/zinc/86/54/87/852865487.db2.gz OTJHMBPLVDNPEJ-APWZRJJASA-N 2 1 391.357 3.678 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)CC[N@H+]1Cc1ccccc1 ZINC000490248701 852865495 /nfs/dbraw/zinc/86/54/95/852865495.db2.gz OTJHMBPLVDNPEJ-APWZRJJASA-N 2 1 391.357 3.678 20 0 GHADMP CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507382631 852866538 /nfs/dbraw/zinc/86/65/38/852866538.db2.gz QRYAYRZTULDGCN-HXUWFJFHSA-N 2 1 375.582 3.684 20 0 GHADMP CC(C)N(C(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606096 852925030 /nfs/dbraw/zinc/92/50/30/852925030.db2.gz DMAVDLYJBFKRKS-YADHBBJMSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606096 852925034 /nfs/dbraw/zinc/92/50/34/852925034.db2.gz DMAVDLYJBFKRKS-YADHBBJMSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606096 852925040 /nfs/dbraw/zinc/92/50/40/852925040.db2.gz DMAVDLYJBFKRKS-YADHBBJMSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CCCC1 ZINC000519606096 852925049 /nfs/dbraw/zinc/92/50/49/852925049.db2.gz DMAVDLYJBFKRKS-YADHBBJMSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000509574621 852982148 /nfs/dbraw/zinc/98/21/48/852982148.db2.gz SJXYNVMSIIVUHL-PZJWPPBQSA-N 2 1 398.551 3.626 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595413 853029590 /nfs/dbraw/zinc/02/95/90/853029590.db2.gz HHFPDQVGXABIJL-TYPHKJRUSA-N 2 1 398.551 3.625 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000294903244 853066556 /nfs/dbraw/zinc/06/65/56/853066556.db2.gz HJWRKNSIUXEPGF-INIZCTEOSA-N 2 1 397.485 3.518 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000294903244 853066562 /nfs/dbraw/zinc/06/65/62/853066562.db2.gz HJWRKNSIUXEPGF-INIZCTEOSA-N 2 1 397.485 3.518 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000438997679 853186529 /nfs/dbraw/zinc/18/65/29/853186529.db2.gz JMIFRKSFRMKAEA-RXVVDRJESA-N 2 1 395.547 3.869 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000438997679 853186531 /nfs/dbraw/zinc/18/65/31/853186531.db2.gz JMIFRKSFRMKAEA-RXVVDRJESA-N 2 1 395.547 3.869 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000187987380 853291839 /nfs/dbraw/zinc/29/18/39/853291839.db2.gz DGSYFVKGPTUAGL-UNMCSNQZSA-N 2 1 383.511 3.764 20 0 GHADMP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000518435888 853345360 /nfs/dbraw/zinc/34/53/60/853345360.db2.gz QAXXJEJUQYGSJF-HXUWFJFHSA-N 2 1 379.548 3.535 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)c2cc1C ZINC000491059813 853431435 /nfs/dbraw/zinc/43/14/35/853431435.db2.gz JIJPCNXVZOGZRC-FGZHOGPDSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000518518582 853463002 /nfs/dbraw/zinc/46/30/02/853463002.db2.gz CCDUTCKDXVVYOO-NRSPTQNISA-N 2 1 393.531 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000518518582 853463008 /nfs/dbraw/zinc/46/30/08/853463008.db2.gz CCDUTCKDXVVYOO-NRSPTQNISA-N 2 1 393.531 3.550 20 0 GHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440647241 853494691 /nfs/dbraw/zinc/49/46/91/853494691.db2.gz NXTOXRSYDFLRGM-CMKODMSKSA-N 2 1 397.588 3.838 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(OCC(C)C)c1 ZINC000437815583 853555800 /nfs/dbraw/zinc/55/58/00/853555800.db2.gz SUACDGPIWJJMHW-HXUWFJFHSA-N 2 1 390.572 3.601 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000518637991 853598151 /nfs/dbraw/zinc/59/81/51/853598151.db2.gz JHVCWGLENAUVFW-CVDCTZTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000518637991 853598156 /nfs/dbraw/zinc/59/81/56/853598156.db2.gz JHVCWGLENAUVFW-CVDCTZTESA-N 2 1 379.548 3.980 20 0 GHADMP COc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc(Cl)c1OC ZINC001212145520 853730414 /nfs/dbraw/zinc/73/04/14/853730414.db2.gz VTIFWDYHFDDVFC-AWEZNQCLSA-N 2 1 382.892 3.575 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000571168987 853778943 /nfs/dbraw/zinc/77/89/43/853778943.db2.gz DNLWQSURIXOPAP-RTBURBONSA-N 2 1 375.513 3.668 20 0 GHADMP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(Br)c1O ZINC000546256032 853884650 /nfs/dbraw/zinc/88/46/50/853884650.db2.gz SYKIUBBCTGXPNI-UHFFFAOYSA-N 2 1 385.346 3.717 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)c2cccs2)CC1 ZINC000520190453 853939749 /nfs/dbraw/zinc/93/97/49/853939749.db2.gz TYWHQLJDWNGONN-KRWDZBQOSA-N 2 1 383.483 3.845 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[N@@H+]5CCCC[C@H]45)cc3)nc12 ZINC000520205837 853955433 /nfs/dbraw/zinc/95/54/33/853955433.db2.gz GIEFYGXFPSDJGO-XZOQPEGZSA-N 2 1 390.531 3.938 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[N@H+]5CCCC[C@H]45)cc3)nc12 ZINC000520205837 853955437 /nfs/dbraw/zinc/95/54/37/853955437.db2.gz GIEFYGXFPSDJGO-XZOQPEGZSA-N 2 1 390.531 3.938 20 0 GHADMP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571607453 853958107 /nfs/dbraw/zinc/95/81/07/853958107.db2.gz GEQUPDPVXSHEGD-QFIPXVFZSA-N 2 1 396.531 3.630 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C[N@H+]1C1CC1 ZINC000441183924 853989123 /nfs/dbraw/zinc/98/91/23/853989123.db2.gz TYGZALSUMYKVHB-WIYYLYMNSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[NH+]1C1CC1 ZINC000441183924 853989129 /nfs/dbraw/zinc/98/91/29/853989129.db2.gz TYGZALSUMYKVHB-WIYYLYMNSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[NH+]1C1CC1 ZINC000441183924 853989134 /nfs/dbraw/zinc/98/91/34/853989134.db2.gz TYGZALSUMYKVHB-WIYYLYMNSA-N 2 1 398.595 3.876 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1(C)C ZINC000441349830 854121837 /nfs/dbraw/zinc/12/18/37/854121837.db2.gz UPGJAXRHUCVQHK-UHFFFAOYSA-N 2 1 384.549 3.672 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(C)C ZINC000588277671 854267242 /nfs/dbraw/zinc/26/72/42/854267242.db2.gz VCIGKCWXWMQAIA-LJQANCHMSA-N 2 1 380.964 3.506 20 0 GHADMP Brc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441419413 854280922 /nfs/dbraw/zinc/28/09/22/854280922.db2.gz XBVNOVWHXNZNEJ-DNVCBOLYSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441419413 854280928 /nfs/dbraw/zinc/28/09/28/854280928.db2.gz XBVNOVWHXNZNEJ-DNVCBOLYSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441419413 854280935 /nfs/dbraw/zinc/28/09/35/854280935.db2.gz XBVNOVWHXNZNEJ-DNVCBOLYSA-N 2 1 379.342 3.777 20 0 GHADMP FC(F)(F)c1nc([C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)no1 ZINC001167995473 854471798 /nfs/dbraw/zinc/47/17/98/854471798.db2.gz GQPHKQSFRMEDTH-JZWPEALZSA-N 2 1 384.446 3.673 20 0 GHADMP FC(F)(F)c1nc([C@@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)no1 ZINC001167995473 854471805 /nfs/dbraw/zinc/47/18/05/854471805.db2.gz GQPHKQSFRMEDTH-JZWPEALZSA-N 2 1 384.446 3.673 20 0 GHADMP FC(F)(F)c1nc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)no1 ZINC001167995473 854471814 /nfs/dbraw/zinc/47/18/14/854471814.db2.gz GQPHKQSFRMEDTH-JZWPEALZSA-N 2 1 384.446 3.673 20 0 GHADMP FC(F)(F)c1nc([C@@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)no1 ZINC001167995473 854471824 /nfs/dbraw/zinc/47/18/24/854471824.db2.gz GQPHKQSFRMEDTH-JZWPEALZSA-N 2 1 384.446 3.673 20 0 GHADMP CC[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167995508 854474743 /nfs/dbraw/zinc/47/47/43/854474743.db2.gz IAYCTGXKKGRVLK-GURQWTFNSA-N 2 1 377.573 3.723 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH2+]C3CCN(c4[nH+]cccc4C)CC3)CCO2)cc1 ZINC001168602217 854646941 /nfs/dbraw/zinc/64/69/41/854646941.db2.gz RPRRNSIBLCTJJU-IRLDBZIGSA-N 2 1 381.520 3.877 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000765777798 854787762 /nfs/dbraw/zinc/78/77/62/854787762.db2.gz ZRTVZLZDZUYHJP-YKSBVNFPSA-N 2 1 381.564 3.517 20 0 GHADMP COC(=O)[C@@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572523648 854861526 /nfs/dbraw/zinc/86/15/26/854861526.db2.gz JFGQSBHQICYKGR-VWNXMTODSA-N 2 1 392.543 3.904 20 0 GHADMP COC(=O)[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572523648 854861530 /nfs/dbraw/zinc/86/15/30/854861530.db2.gz JFGQSBHQICYKGR-VWNXMTODSA-N 2 1 392.543 3.904 20 0 GHADMP Cc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000155617020 854984463 /nfs/dbraw/zinc/98/44/63/854984463.db2.gz GXNBSMSVZMAKTI-UHFFFAOYSA-N 2 1 379.895 3.823 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4nc(C)ccc4c3)cc2)CC1 ZINC000189258514 855063458 /nfs/dbraw/zinc/06/34/58/855063458.db2.gz XFMCKGZKWVNNQJ-UHFFFAOYSA-N 2 1 388.559 3.971 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000623657612 855079010 /nfs/dbraw/zinc/07/90/10/855079010.db2.gz VKTYJEUWTDLCBK-QGZVFWFLSA-N 2 1 394.401 3.735 20 0 GHADMP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)ccc2n1 ZINC000189427321 855092259 /nfs/dbraw/zinc/09/22/59/855092259.db2.gz WZEUNMSRKXKMEU-HSZRJFAPSA-N 2 1 375.516 3.790 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000189969117 855238788 /nfs/dbraw/zinc/23/87/88/855238788.db2.gz BTZVOEDUOZKUFG-UHFFFAOYSA-N 2 1 395.950 3.683 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000465636235 855458765 /nfs/dbraw/zinc/45/87/65/855458765.db2.gz RLBFYOSEWQNQOY-PKOBYXMFSA-N 2 1 386.540 3.551 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)C1 ZINC000604998742 862684172 /nfs/dbraw/zinc/68/41/72/862684172.db2.gz YCXAYHMUECQDDO-IQGMXUJPSA-N 2 1 392.385 3.564 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000520498127 855509935 /nfs/dbraw/zinc/50/99/35/855509935.db2.gz USUZCBUEEGIYQH-DENIHFKCSA-N 2 1 379.548 3.897 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)C(=O)OC(C)(C)C ZINC001168002179 855580466 /nfs/dbraw/zinc/58/04/66/855580466.db2.gz PIEUAVKZTFUHBU-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(=O)OC(C)(C)C ZINC001168002179 855580467 /nfs/dbraw/zinc/58/04/67/855580467.db2.gz PIEUAVKZTFUHBU-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)OC(C)(C)C ZINC001168002179 855580470 /nfs/dbraw/zinc/58/04/70/855580470.db2.gz PIEUAVKZTFUHBU-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP c1ccc2nc(OC3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC3)cnc2c1 ZINC001168003221 855659059 /nfs/dbraw/zinc/65/90/59/855659059.db2.gz KXAOABYOZDJYEE-YOFSQIOKSA-N 2 1 392.547 3.878 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001168004143 855722748 /nfs/dbraw/zinc/72/27/48/855722748.db2.gz RJPYXKILQFNWPV-DYYNAXKSSA-N 2 1 379.592 3.846 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001168004143 855722753 /nfs/dbraw/zinc/72/27/53/855722753.db2.gz RJPYXKILQFNWPV-DYYNAXKSSA-N 2 1 379.592 3.846 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001168004143 855722758 /nfs/dbraw/zinc/72/27/58/855722758.db2.gz RJPYXKILQFNWPV-DYYNAXKSSA-N 2 1 379.592 3.846 20 0 GHADMP COCCC[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000237203649 855767858 /nfs/dbraw/zinc/76/78/58/855767858.db2.gz ZVXPEVJYCOGBBD-UHFFFAOYSA-N 2 1 385.335 3.860 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000237205877 855783427 /nfs/dbraw/zinc/78/34/27/855783427.db2.gz GXCBYHMDEOIWGK-UHFFFAOYSA-N 2 1 390.959 3.733 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000482139614 862726988 /nfs/dbraw/zinc/72/69/88/862726988.db2.gz PPXFPWCYJRFSTP-AOIWGVFYSA-N 2 1 391.556 3.521 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(Br)c2)[C@H](C)C1 ZINC000573103959 855867887 /nfs/dbraw/zinc/86/78/87/855867887.db2.gz HTVZYPBYXYBBEQ-RKVPGOIHSA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(Br)c2)[C@H](C)C1 ZINC000573103959 855867890 /nfs/dbraw/zinc/86/78/90/855867890.db2.gz HTVZYPBYXYBBEQ-RKVPGOIHSA-N 2 1 384.362 3.632 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000765889265 855909340 /nfs/dbraw/zinc/90/93/40/855909340.db2.gz YKYIEWBJWNYVBN-MALGCSLJSA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000482156871 862751480 /nfs/dbraw/zinc/75/14/80/862751480.db2.gz JOTIHCDZHQGSCH-JYAXBFRTSA-N 2 1 387.568 3.505 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168562759 856061870 /nfs/dbraw/zinc/06/18/70/856061870.db2.gz SDAKSIGMBJHNOL-HOTGVXAUSA-N 2 1 393.494 3.590 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)C[C@H]21 ZINC000579593646 856205971 /nfs/dbraw/zinc/20/59/71/856205971.db2.gz ZDHINVRJSHWLBH-KTDPBYDISA-N 2 1 397.950 3.605 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)C[C@H]21 ZINC000579593646 856205975 /nfs/dbraw/zinc/20/59/75/856205975.db2.gz ZDHINVRJSHWLBH-KTDPBYDISA-N 2 1 397.950 3.605 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168569234 856227108 /nfs/dbraw/zinc/22/71/08/856227108.db2.gz CQLSXPKYFSENTB-CVEARBPZSA-N 2 1 395.510 3.981 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591766222 856290018 /nfs/dbraw/zinc/29/00/18/856290018.db2.gz MCPXGNKQEDUREV-MRXNPFEDSA-N 2 1 386.367 3.616 20 0 GHADMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000573603495 856311192 /nfs/dbraw/zinc/31/11/92/856311192.db2.gz BJLVXGFPICHWPU-SCLBCKFNSA-N 2 1 386.367 3.693 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC2)cc1 ZINC000485329793 856370838 /nfs/dbraw/zinc/37/08/38/856370838.db2.gz JNVJHAGQJJRVMB-RPWUZVMVSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC2)cc1 ZINC000485329793 856370848 /nfs/dbraw/zinc/37/08/48/856370848.db2.gz JNVJHAGQJJRVMB-RPWUZVMVSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC2)cc1 ZINC000485329793 856370857 /nfs/dbraw/zinc/37/08/57/856370857.db2.gz JNVJHAGQJJRVMB-RPWUZVMVSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC2)cc1 ZINC000485329793 856370867 /nfs/dbraw/zinc/37/08/67/856370867.db2.gz JNVJHAGQJJRVMB-RPWUZVMVSA-N 2 1 397.607 3.582 20 0 GHADMP CC(C)c1ccc(CN(C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C2CC2)cc1 ZINC000485340569 856384038 /nfs/dbraw/zinc/38/40/38/856384038.db2.gz KRLAJZBRAXHKMM-GGAORHGYSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C2CC2)cc1 ZINC000485340569 856384050 /nfs/dbraw/zinc/38/40/50/856384050.db2.gz KRLAJZBRAXHKMM-GGAORHGYSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C2CC2)cc1 ZINC000485340569 856384061 /nfs/dbraw/zinc/38/40/61/856384061.db2.gz KRLAJZBRAXHKMM-GGAORHGYSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C2CC2)cc1 ZINC000485340569 856384071 /nfs/dbraw/zinc/38/40/71/856384071.db2.gz KRLAJZBRAXHKMM-GGAORHGYSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C2CC2)cc1 ZINC000485340569 856384078 /nfs/dbraw/zinc/38/40/78/856384078.db2.gz KRLAJZBRAXHKMM-GGAORHGYSA-N 2 1 383.580 3.717 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000485397793 856441556 /nfs/dbraw/zinc/44/15/56/856441556.db2.gz CMLFYVWSTGWRTG-PMACEKPBSA-N 2 1 388.600 3.879 20 0 GHADMP COc1ccc([C@@H]2C[C@H](N(c3cccc(C)[nH+]3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168675008 856549298 /nfs/dbraw/zinc/54/92/98/856549298.db2.gz JMRYHBIOELJWMJ-IRLDBZIGSA-N 2 1 381.520 3.877 20 0 GHADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1SC ZINC000658135644 856766916 /nfs/dbraw/zinc/76/69/16/856766916.db2.gz AEPRCMNDUZUGMN-UZLBHIALSA-N 2 1 386.561 3.835 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164186 856896740 /nfs/dbraw/zinc/89/67/40/856896740.db2.gz CFAFBLXKZREYKU-OFVILXPXSA-N 3 1 392.591 3.794 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164186 856896745 /nfs/dbraw/zinc/89/67/45/856896745.db2.gz CFAFBLXKZREYKU-OFVILXPXSA-N 2 1 392.591 3.794 20 0 GHADMP Cc1cc(F)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000675133895 857035725 /nfs/dbraw/zinc/03/57/25/857035725.db2.gz MTIPVXRURKJEDM-UHFFFAOYSA-N 2 1 393.522 3.542 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000675195163 857079314 /nfs/dbraw/zinc/07/93/14/857079314.db2.gz SYHRGLOEWRDTTB-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCc3sccc3C2)CC1 ZINC000592982654 857173043 /nfs/dbraw/zinc/17/30/43/857173043.db2.gz JQWHUWYKOHAWTC-UHFFFAOYSA-N 2 1 397.588 3.539 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCc3sccc3C2)CC1 ZINC000592982654 857173050 /nfs/dbraw/zinc/17/30/50/857173050.db2.gz JQWHUWYKOHAWTC-UHFFFAOYSA-N 2 1 397.588 3.539 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCc3sccc3C2)CC1 ZINC000592982654 857173055 /nfs/dbraw/zinc/17/30/55/857173055.db2.gz JQWHUWYKOHAWTC-UHFFFAOYSA-N 2 1 397.588 3.539 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCCc3sccc3C2)CC1 ZINC000592982654 857173058 /nfs/dbraw/zinc/17/30/58/857173058.db2.gz JQWHUWYKOHAWTC-UHFFFAOYSA-N 2 1 397.588 3.539 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465947688 857190839 /nfs/dbraw/zinc/19/08/39/857190839.db2.gz ICTXLMRKJMRLPU-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465947688 857190843 /nfs/dbraw/zinc/19/08/43/857190843.db2.gz ICTXLMRKJMRLPU-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465947688 857190848 /nfs/dbraw/zinc/19/08/48/857190848.db2.gz ICTXLMRKJMRLPU-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000057609867 857221193 /nfs/dbraw/zinc/22/11/93/857221193.db2.gz RWFITBFIEKUKKP-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658319318 857371419 /nfs/dbraw/zinc/37/14/19/857371419.db2.gz ZMHVDRUQUMFTNX-DENIHFKCSA-N 2 1 379.548 3.913 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000675473718 857429599 /nfs/dbraw/zinc/42/95/99/857429599.db2.gz WTMUUIIIILSUII-UHFFFAOYSA-N 2 1 378.564 3.668 20 0 GHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000246804423 857468880 /nfs/dbraw/zinc/46/88/80/857468880.db2.gz DXDVITJSBIXVMO-GCJKJVERSA-N 2 1 387.568 3.650 20 0 GHADMP CCN(C(=O)N[C@H](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000675536425 857489416 /nfs/dbraw/zinc/48/94/16/857489416.db2.gz KPDKLWNGFQKFDB-XQBPLPMBSA-N 2 1 386.584 3.584 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000061863048 857545295 /nfs/dbraw/zinc/54/52/95/857545295.db2.gz FXQATFUAFWRHLL-QFIPXVFZSA-N 2 1 388.600 3.694 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC(C)C)cc3C)CC2)CC1 ZINC000521064602 857552383 /nfs/dbraw/zinc/55/23/83/857552383.db2.gz FNOZQSNGFSSMQE-UHFFFAOYSA-N 2 1 387.568 3.917 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000521072220 857564304 /nfs/dbraw/zinc/56/43/04/857564304.db2.gz PGFSIQACJZAHLB-OAQYLSRUSA-N 2 1 385.939 3.724 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(-n2cnnn2)c1 ZINC000675748350 857596703 /nfs/dbraw/zinc/59/67/03/857596703.db2.gz ZWWMPMUKGWMEDK-RBUKOAKNSA-N 2 1 390.535 3.745 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC000675776750 857606710 /nfs/dbraw/zinc/60/67/10/857606710.db2.gz YWAQLQXXYSZRTP-DXIQSLLYSA-N 2 1 394.003 3.893 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665276974 857632305 /nfs/dbraw/zinc/63/23/05/857632305.db2.gz QLOHCXJZWMCJDK-OYDLWJJNSA-N 2 1 377.576 3.837 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000675882875 857660106 /nfs/dbraw/zinc/66/01/06/857660106.db2.gz UKYYSWXGLZUHMW-PBHICJAKSA-N 2 1 397.357 3.752 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OCC)cc32)[C@H](C)C1 ZINC000675885257 857661136 /nfs/dbraw/zinc/66/11/36/857661136.db2.gz NEAUCYIHKHAVLR-QMMLZNLJSA-N 2 1 376.541 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OCC)cc32)[C@H](C)C1 ZINC000675885257 857661141 /nfs/dbraw/zinc/66/11/41/857661141.db2.gz NEAUCYIHKHAVLR-QMMLZNLJSA-N 2 1 376.541 3.636 20 0 GHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593728707 857669471 /nfs/dbraw/zinc/66/94/71/857669471.db2.gz DADWXTIBRDCQQU-BMGDILEWSA-N 2 1 388.533 3.549 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065448363 857797842 /nfs/dbraw/zinc/79/78/42/857797842.db2.gz QGBVWVZGMWJOAC-FQEVSTJZSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)[NH+](C)C)cc1 ZINC000065469868 857801699 /nfs/dbraw/zinc/80/16/99/857801699.db2.gz BDFOQOYBCZFIBF-QHCPKHFHSA-N 2 1 396.579 3.937 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)[C@@H](C)C1 ZINC000676541213 857933383 /nfs/dbraw/zinc/93/33/83/857933383.db2.gz PSQRFWFNGODJTA-BVSLBCMMSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1SC ZINC000442609691 857996463 /nfs/dbraw/zinc/99/64/63/857996463.db2.gz MCBWESFQDACXNH-ROUUACIJSA-N 2 1 392.613 3.527 20 0 GHADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000521461118 858003306 /nfs/dbraw/zinc/00/33/06/858003306.db2.gz VNSNPILERMKITQ-UHFFFAOYSA-N 2 1 376.447 3.694 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)c2ccccc2)CC1 ZINC000486697357 858003841 /nfs/dbraw/zinc/00/38/41/858003841.db2.gz FHQWZTKTGFIIOA-HSZRJFAPSA-N 2 1 379.548 3.503 20 0 GHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1)c1ccco1 ZINC000673011397 858021010 /nfs/dbraw/zinc/02/10/10/858021010.db2.gz WBFXBBIYXKDPSA-APWZRJJASA-N 2 1 399.539 3.512 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cnn1-c1cc(C)ccc1C ZINC000482359266 862983249 /nfs/dbraw/zinc/98/32/49/862983249.db2.gz QGGLEISNEYGHGM-HXUWFJFHSA-N 2 1 397.611 3.722 20 0 GHADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442786030 858124836 /nfs/dbraw/zinc/12/48/36/858124836.db2.gz UUJPJVLDIYGLBV-DENIHFKCSA-N 2 1 377.532 3.934 20 0 GHADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442786030 858124837 /nfs/dbraw/zinc/12/48/37/858124837.db2.gz UUJPJVLDIYGLBV-DENIHFKCSA-N 2 1 377.532 3.934 20 0 GHADMP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508403444 858150204 /nfs/dbraw/zinc/15/02/04/858150204.db2.gz WLLRRMZFQJARCF-ZSYWTGECSA-N 2 1 377.598 3.899 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000442880647 858202586 /nfs/dbraw/zinc/20/25/86/858202586.db2.gz ZFGGHLJBSDSHJX-RTBURBONSA-N 2 1 383.502 3.957 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000442950408 858264149 /nfs/dbraw/zinc/26/41/49/858264149.db2.gz KQYQNXYHVBJPTI-CQOQZXRMSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000442950408 858264158 /nfs/dbraw/zinc/26/41/58/858264158.db2.gz KQYQNXYHVBJPTI-CQOQZXRMSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000442950408 858264168 /nfs/dbraw/zinc/26/41/68/858264168.db2.gz KQYQNXYHVBJPTI-CQOQZXRMSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000674099216 863007240 /nfs/dbraw/zinc/00/72/40/863007240.db2.gz VYFGQQNAFZANEM-WIYYLYMNSA-N 2 1 383.536 3.762 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000521780698 858320649 /nfs/dbraw/zinc/32/06/49/858320649.db2.gz RBIYVCDCYHAVTE-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)c2cccs2)CC1 ZINC000521816034 858352114 /nfs/dbraw/zinc/35/21/14/858352114.db2.gz GTPBRWRHMAJWGH-SFHVURJKSA-N 2 1 385.577 3.912 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)c2cccs2)CC1 ZINC000521816034 858352120 /nfs/dbraw/zinc/35/21/20/858352120.db2.gz GTPBRWRHMAJWGH-SFHVURJKSA-N 2 1 385.577 3.912 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000508418275 858519935 /nfs/dbraw/zinc/51/99/35/858519935.db2.gz AMNWEJBTJZDYBR-ICSRJNTNSA-N 2 1 394.629 3.891 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000079613377 858593084 /nfs/dbraw/zinc/59/30/84/858593084.db2.gz BMFULCJFJDSDTO-BGYRXZFFSA-N 2 1 380.621 3.506 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000079613377 858593096 /nfs/dbraw/zinc/59/30/96/858593096.db2.gz BMFULCJFJDSDTO-BGYRXZFFSA-N 2 1 380.621 3.506 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000079613377 858593105 /nfs/dbraw/zinc/59/31/05/858593105.db2.gz BMFULCJFJDSDTO-BGYRXZFFSA-N 2 1 380.621 3.506 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000079864268 858688680 /nfs/dbraw/zinc/68/86/80/858688680.db2.gz RAXFBYCUDHPTPT-SFHVURJKSA-N 2 1 380.602 3.504 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)c(Cl)c1 ZINC000658002793 863052844 /nfs/dbraw/zinc/05/28/44/863052844.db2.gz NSUCJGAMLOPRDI-CYBMUJFWSA-N 2 1 388.781 3.779 20 0 GHADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000466218178 858733716 /nfs/dbraw/zinc/73/37/16/858733716.db2.gz RQGAIUGLMHKSQY-MBSDFSHPSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000466218178 858733724 /nfs/dbraw/zinc/73/37/24/858733724.db2.gz RQGAIUGLMHKSQY-MBSDFSHPSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000466218178 858733733 /nfs/dbraw/zinc/73/37/33/858733733.db2.gz RQGAIUGLMHKSQY-MBSDFSHPSA-N 2 1 398.595 3.733 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474064093 858749268 /nfs/dbraw/zinc/74/92/68/858749268.db2.gz XZPGCLIRXRKNNX-RBZQAINGSA-N 2 1 385.596 3.509 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000183675272 858792561 /nfs/dbraw/zinc/79/25/61/858792561.db2.gz YJBZCWDVIXYGCL-NPPFBWRTSA-N 2 1 398.551 3.543 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000183685877 858796641 /nfs/dbraw/zinc/79/66/41/858796641.db2.gz CENNROMRCBIMGV-MRXNPFEDSA-N 2 1 396.922 3.844 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc4ccnc(Cl)c4s3)cc2)C1 ZINC000895248401 858898753 /nfs/dbraw/zinc/89/87/53/858898753.db2.gz OMNLKYFUBOVSSN-QGZVFWFLSA-N 2 1 387.936 3.806 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000922971132 858908979 /nfs/dbraw/zinc/90/89/79/858908979.db2.gz HMMRIBVEOFMRPK-VMIIQTFKSA-N 2 1 399.579 3.828 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000482875672 858934168 /nfs/dbraw/zinc/93/41/68/858934168.db2.gz MCLJSTPHQOLTTF-LJQANCHMSA-N 2 1 379.548 3.947 20 0 GHADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000532187408 881361582 /nfs/dbraw/zinc/36/15/82/881361582.db2.gz DJPPXPKACISRMF-ZBFHGGJFSA-N 2 1 378.611 3.715 20 0 GHADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482888279 858943171 /nfs/dbraw/zinc/94/31/71/858943171.db2.gz MHKDRZFEEYKBBX-IBGZPJMESA-N 2 1 389.584 3.705 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000532188698 881363732 /nfs/dbraw/zinc/36/37/32/881363732.db2.gz ZMQVUKLGISHARP-QAPCUYQASA-N 2 1 377.529 3.535 20 0 GHADMP C[C@@H](CC[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000194552399 859025873 /nfs/dbraw/zinc/02/58/73/859025873.db2.gz DFLDNUXZLMWNHF-FQEVSTJZSA-N 2 1 395.547 3.631 20 0 GHADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000185038966 859034024 /nfs/dbraw/zinc/03/40/24/859034024.db2.gz YYQODHZLLBCCIF-ZCNNSNEGSA-N 2 1 380.598 3.505 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000543618787 859043159 /nfs/dbraw/zinc/04/31/59/859043159.db2.gz WRSSZSJJOOSFTQ-UHFFFAOYSA-N 2 1 384.593 3.660 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(CC(C)C)s3)C2)ccn1 ZINC000856552897 881375489 /nfs/dbraw/zinc/37/54/89/881375489.db2.gz RMUCOKSUSWBKIT-IBGZPJMESA-N 2 1 388.581 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(CC(C)C)s3)C2)ccn1 ZINC000856552897 881375504 /nfs/dbraw/zinc/37/55/04/881375504.db2.gz RMUCOKSUSWBKIT-IBGZPJMESA-N 2 1 388.581 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(CC(C)C)s3)C2)ccn1 ZINC000856552897 881375517 /nfs/dbraw/zinc/37/55/17/881375517.db2.gz RMUCOKSUSWBKIT-IBGZPJMESA-N 2 1 388.581 3.842 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000668189822 859057994 /nfs/dbraw/zinc/05/79/94/859057994.db2.gz QCURDTUOIIMBPP-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000668189822 859058002 /nfs/dbraw/zinc/05/80/02/859058002.db2.gz QCURDTUOIIMBPP-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745512 859124984 /nfs/dbraw/zinc/12/49/84/859124984.db2.gz ZZGBRVZBSDELLZ-REWPJTCUSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745512 859124991 /nfs/dbraw/zinc/12/49/91/859124991.db2.gz ZZGBRVZBSDELLZ-REWPJTCUSA-N 2 1 397.607 3.710 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185760768 859125967 /nfs/dbraw/zinc/12/59/67/859125967.db2.gz MNRDJRGCXCXTJA-GERBCZOESA-N 2 1 399.579 3.505 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185760768 859125971 /nfs/dbraw/zinc/12/59/71/859125971.db2.gz MNRDJRGCXCXTJA-GERBCZOESA-N 2 1 399.579 3.505 20 0 GHADMP COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000185765127 859126768 /nfs/dbraw/zinc/12/67/68/859126768.db2.gz QKRRTTYQMSSVEG-LSDHHAIUSA-N 2 1 379.932 3.530 20 0 GHADMP COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000185765127 859126777 /nfs/dbraw/zinc/12/67/77/859126777.db2.gz QKRRTTYQMSSVEG-LSDHHAIUSA-N 2 1 379.932 3.530 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(C4CCC4)s3)C2)ccn1 ZINC000856553707 881393226 /nfs/dbraw/zinc/39/32/26/881393226.db2.gz OAUOKBUFRFXXOH-IBGZPJMESA-N 2 1 386.565 3.911 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(C4CCC4)s3)C2)ccn1 ZINC000856553707 881393293 /nfs/dbraw/zinc/39/32/93/881393293.db2.gz OAUOKBUFRFXXOH-IBGZPJMESA-N 2 1 386.565 3.911 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(C4CCC4)s3)C2)ccn1 ZINC000856553707 881393332 /nfs/dbraw/zinc/39/33/32/881393332.db2.gz OAUOKBUFRFXXOH-IBGZPJMESA-N 2 1 386.565 3.911 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(cc2OCC)C[C@@H](C)O3)[C@H](C)C1 ZINC000532200407 881401643 /nfs/dbraw/zinc/40/16/43/881401643.db2.gz KPYAXJZCEWVNKQ-OPYAIIAOSA-N 2 1 390.568 3.635 20 0 GHADMP Cc1ncsc1C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000923339151 859236642 /nfs/dbraw/zinc/23/66/42/859236642.db2.gz PYBVBJYVIDFUPH-UGKGYDQZSA-N 2 1 395.572 3.620 20 0 GHADMP Cc1ncsc1C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000923339151 859236654 /nfs/dbraw/zinc/23/66/54/859236654.db2.gz PYBVBJYVIDFUPH-UGKGYDQZSA-N 2 1 395.572 3.620 20 0 GHADMP O[C@H](C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000923347448 859237261 /nfs/dbraw/zinc/23/72/61/859237261.db2.gz QEEIEEYYTFUTBU-IAGOWNOFSA-N 2 1 395.931 3.613 20 0 GHADMP O[C@H](C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000923347448 859237271 /nfs/dbraw/zinc/23/72/71/859237271.db2.gz QEEIEEYYTFUTBU-IAGOWNOFSA-N 2 1 395.931 3.613 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(cc2OCC)C[C@@H](C)O3)[C@H](C)C1 ZINC000532200407 881401413 /nfs/dbraw/zinc/40/14/13/881401413.db2.gz KPYAXJZCEWVNKQ-OPYAIIAOSA-N 2 1 390.568 3.635 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](CC2CC2)C2CCC2)[NH+]2CCCCC2)cc1 ZINC000483297123 859278148 /nfs/dbraw/zinc/27/81/48/859278148.db2.gz RZUPOQOVJNBDOR-HSZRJFAPSA-N 2 1 399.579 3.603 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759477 859279819 /nfs/dbraw/zinc/27/98/19/859279819.db2.gz XGRGCITWHWMRFN-SFTDATJTSA-N 2 1 388.577 3.518 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557761 881407091 /nfs/dbraw/zinc/40/70/91/881407091.db2.gz BKFWKECJZRXCGL-FQEVSTJZSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557761 881407127 /nfs/dbraw/zinc/40/71/27/881407127.db2.gz BKFWKECJZRXCGL-FQEVSTJZSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc4cnccc4o3)C2)ccn1 ZINC000856557761 881407152 /nfs/dbraw/zinc/40/71/52/881407152.db2.gz BKFWKECJZRXCGL-FQEVSTJZSA-N 2 1 380.492 3.716 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499653 859374503 /nfs/dbraw/zinc/37/45/03/859374503.db2.gz MQBKYLCVMMGWKL-WOPDTQHZSA-N 2 1 377.838 3.603 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000626062046 859434576 /nfs/dbraw/zinc/43/45/76/859434576.db2.gz DPLMAXSKZCTLRW-RBUKOAKNSA-N 2 1 397.563 3.845 20 0 GHADMP CC[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062152 859434616 /nfs/dbraw/zinc/43/46/16/859434616.db2.gz JQNWMMHXXKNIJB-UHFFFAOYSA-N 2 1 385.577 3.607 20 0 GHADMP CC[N@@H+](CC(=O)N(Cc1ccc(C)o1)C1CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062633 859435527 /nfs/dbraw/zinc/43/55/27/859435527.db2.gz ZRGZZGSBNIVQLI-UHFFFAOYSA-N 2 1 383.536 3.663 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@@H]2CCC[C@H]21 ZINC000671743459 859448631 /nfs/dbraw/zinc/44/86/31/859448631.db2.gz NKKVFGAGRUNXMA-OKZBNKHCSA-N 2 1 378.442 3.854 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000532202221 881425719 /nfs/dbraw/zinc/42/57/19/881425719.db2.gz KQLMWCQIEXEHSX-SQNIBIBYSA-N 2 1 379.976 3.787 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000532202221 881425729 /nfs/dbraw/zinc/42/57/29/881425729.db2.gz KQLMWCQIEXEHSX-SQNIBIBYSA-N 2 1 379.976 3.787 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cnn1-c1ccccc1 ZINC000764636793 859542912 /nfs/dbraw/zinc/54/29/12/859542912.db2.gz SVNGCXQRUPJKOL-LJQANCHMSA-N 2 1 390.531 3.864 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000764714297 859578883 /nfs/dbraw/zinc/57/88/83/859578883.db2.gz DUCUJEDUWKYORM-DENIHFKCSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000764714297 859578893 /nfs/dbraw/zinc/57/88/93/859578893.db2.gz DUCUJEDUWKYORM-DENIHFKCSA-N 2 1 377.532 3.956 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C[C@@H]1C ZINC000483761013 859595386 /nfs/dbraw/zinc/59/53/86/859595386.db2.gz PZWCNGXZQUHNNT-ILWGZMRPSA-N 2 1 386.584 3.646 20 0 GHADMP CCC[N@H+](Cc1ncc(C)c(OC)c1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477156 859626593 /nfs/dbraw/zinc/62/65/93/859626593.db2.gz XKFKTCISBPGBQI-UHFFFAOYSA-N 2 1 397.567 3.995 20 0 GHADMP CCC[N@@H+](Cc1ncc(C)c(OC)c1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477156 859626599 /nfs/dbraw/zinc/62/65/99/859626599.db2.gz XKFKTCISBPGBQI-UHFFFAOYSA-N 2 1 397.567 3.995 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC[N@@H+]2C2CC2)cc1 ZINC000895537493 859633574 /nfs/dbraw/zinc/63/35/74/859633574.db2.gz SHKXXCXQFUITRZ-PMVMPFDFSA-N 2 1 384.564 3.920 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC[N@H+]2C2CC2)cc1 ZINC000895537493 859633581 /nfs/dbraw/zinc/63/35/81/859633581.db2.gz SHKXXCXQFUITRZ-PMVMPFDFSA-N 2 1 384.564 3.920 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C ZINC000856561343 881445033 /nfs/dbraw/zinc/44/50/33/881445033.db2.gz NSTHXZBNPRLMRN-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1C ZINC000856561343 881445047 /nfs/dbraw/zinc/44/50/47/881445047.db2.gz NSTHXZBNPRLMRN-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1C ZINC000856561343 881445055 /nfs/dbraw/zinc/44/50/55/881445055.db2.gz NSTHXZBNPRLMRN-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543429996 859689739 /nfs/dbraw/zinc/68/97/39/859689739.db2.gz WRRVOAJARZIXAX-DYXWJJEUSA-N 2 1 396.531 3.800 20 0 GHADMP CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000729545272 859731055 /nfs/dbraw/zinc/73/10/55/859731055.db2.gz RMUUQVULRHULFQ-RTBURBONSA-N 2 1 386.584 3.666 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[C@@H](C)C1 ZINC000765126264 859804795 /nfs/dbraw/zinc/80/47/95/859804795.db2.gz JJDNDEWDPVLHEV-WDSOQIARSA-N 2 1 391.556 3.581 20 0 GHADMP CC[C@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc2c(c1)OCCO2 ZINC000162253162 859831235 /nfs/dbraw/zinc/83/12/35/859831235.db2.gz NCJPQMKHWGNVMW-IBGZPJMESA-N 2 1 382.508 3.574 20 0 GHADMP C[C@@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484176524 859847562 /nfs/dbraw/zinc/84/75/62/859847562.db2.gz SDJWHSFWAACEMJ-RDTXWAMCSA-N 2 1 395.366 3.798 20 0 GHADMP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)n1C1CCCCC1 ZINC000602199786 859860883 /nfs/dbraw/zinc/86/08/83/859860883.db2.gz ACZIPPHGSWGFNS-IBGZPJMESA-N 2 1 386.584 3.508 20 0 GHADMP Cc1cc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)n1C1CCCCC1 ZINC000602199786 859860900 /nfs/dbraw/zinc/86/09/00/859860900.db2.gz ACZIPPHGSWGFNS-IBGZPJMESA-N 2 1 386.584 3.508 20 0 GHADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1C ZINC000856562163 881471488 /nfs/dbraw/zinc/47/14/88/881471488.db2.gz ZFGCKJKOUNQMRG-QFIPXVFZSA-N 2 1 399.583 3.798 20 0 GHADMP CCCn1nc(C)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856562163 881471499 /nfs/dbraw/zinc/47/14/99/881471499.db2.gz ZFGCKJKOUNQMRG-QFIPXVFZSA-N 2 1 399.583 3.798 20 0 GHADMP CCCn1nc(C)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856562163 881471509 /nfs/dbraw/zinc/47/15/09/881471509.db2.gz ZFGCKJKOUNQMRG-QFIPXVFZSA-N 2 1 399.583 3.798 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474339924 859900361 /nfs/dbraw/zinc/90/03/61/859900361.db2.gz WUMSFRUUVDFIMX-QHCPKHFHSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474339924 859900368 /nfs/dbraw/zinc/90/03/68/859900368.db2.gz WUMSFRUUVDFIMX-QHCPKHFHSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474339924 859900377 /nfs/dbraw/zinc/90/03/77/859900377.db2.gz WUMSFRUUVDFIMX-QHCPKHFHSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474339924 859900385 /nfs/dbraw/zinc/90/03/85/859900385.db2.gz WUMSFRUUVDFIMX-QHCPKHFHSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[C@@H](C)[N@H+]1Cc2ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc2C1 ZINC000727086645 859920349 /nfs/dbraw/zinc/92/03/49/859920349.db2.gz ORUGQKNGFCROOV-MRXNPFEDSA-N 2 1 376.614 3.921 20 0 GHADMP CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922402350 859926175 /nfs/dbraw/zinc/92/61/75/859926175.db2.gz JCXIFCPEQBEQEU-PWRODBHTSA-N 2 1 380.536 3.520 20 0 GHADMP CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000922402350 859926182 /nfs/dbraw/zinc/92/61/82/859926182.db2.gz JCXIFCPEQBEQEU-PWRODBHTSA-N 2 1 380.536 3.520 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000532216080 881479673 /nfs/dbraw/zinc/47/96/73/881479673.db2.gz WCHLTJBKFXAHAB-JYWFKMLOSA-N 2 1 394.003 3.810 20 0 GHADMP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034521 860035516 /nfs/dbraw/zinc/03/55/16/860035516.db2.gz QGDWUQWRWNIYKT-GQEURGSBSA-N 2 1 399.623 3.909 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000120280070 881493972 /nfs/dbraw/zinc/49/39/72/881493972.db2.gz CCCRVUCCBMDRTK-QHCPKHFHSA-N 2 1 386.511 3.555 20 0 GHADMP COCC[N@H+](C)CCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474482633 860195497 /nfs/dbraw/zinc/19/54/97/860195497.db2.gz NCGAWSDPIPPZFH-UHFFFAOYSA-N 2 1 383.252 3.526 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000474482633 860195499 /nfs/dbraw/zinc/19/54/99/860195499.db2.gz NCGAWSDPIPPZFH-UHFFFAOYSA-N 2 1 383.252 3.526 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000533818686 860238457 /nfs/dbraw/zinc/23/84/57/860238457.db2.gz GSXUBLILXBKLLU-AAIMPIBUSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000533818686 860238467 /nfs/dbraw/zinc/23/84/67/860238467.db2.gz GSXUBLILXBKLLU-AAIMPIBUSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000533818686 860238473 /nfs/dbraw/zinc/23/84/73/860238473.db2.gz GSXUBLILXBKLLU-AAIMPIBUSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000533818686 860238480 /nfs/dbraw/zinc/23/84/80/860238480.db2.gz GSXUBLILXBKLLU-AAIMPIBUSA-N 2 1 392.547 3.525 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]3CC[C@]32C[NH3+])c1 ZINC000904296684 860317312 /nfs/dbraw/zinc/31/73/12/860317312.db2.gz ZBGVQLLCGYJVQB-AVRDEDQJSA-N 2 1 381.524 3.790 20 0 GHADMP Cn1c2ccc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)cc2oc1=O ZINC000508967235 860320780 /nfs/dbraw/zinc/32/07/80/860320780.db2.gz ZCLLRUMRTARGDY-UHFFFAOYSA-N 2 1 391.515 3.620 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000290213360 860401664 /nfs/dbraw/zinc/40/16/64/860401664.db2.gz HJHAHNDHHKUGBD-SFHVURJKSA-N 2 1 375.513 3.878 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037290 860409794 /nfs/dbraw/zinc/40/97/94/860409794.db2.gz XKDYWYXBXDTDFS-IYRWYFENSA-N 2 1 383.580 3.809 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n2c1CCCC2 ZINC000598637473 860465815 /nfs/dbraw/zinc/46/58/15/860465815.db2.gz ZOHHYUQAKVCPLD-MRXNPFEDSA-N 2 1 392.503 3.956 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cn2c(n1)CCCC2 ZINC000428981662 860592794 /nfs/dbraw/zinc/59/27/94/860592794.db2.gz ZJRFUILIRAWPGN-NRFANRHFSA-N 2 1 397.567 3.517 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474711649 860666498 /nfs/dbraw/zinc/66/64/98/860666498.db2.gz UGMZQZLBFGHQNS-QHCPKHFHSA-N 2 1 395.522 3.702 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474711649 860666504 /nfs/dbraw/zinc/66/65/04/860666504.db2.gz UGMZQZLBFGHQNS-QHCPKHFHSA-N 2 1 395.522 3.702 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598097 881571848 /nfs/dbraw/zinc/57/18/48/881571848.db2.gz GDFQUIYTJXPPNP-JOCHJYFZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598097 881571853 /nfs/dbraw/zinc/57/18/53/881571853.db2.gz GDFQUIYTJXPPNP-JOCHJYFZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)ccn1 ZINC000856598097 881571865 /nfs/dbraw/zinc/57/18/65/881571865.db2.gz GDFQUIYTJXPPNP-JOCHJYFZSA-N 2 1 387.499 3.593 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026887 860744179 /nfs/dbraw/zinc/74/41/79/860744179.db2.gz AINANYIREGOGCJ-UTKZUKDTSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026887 860744186 /nfs/dbraw/zinc/74/41/86/860744186.db2.gz AINANYIREGOGCJ-UTKZUKDTSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026887 860744190 /nfs/dbraw/zinc/74/41/90/860744190.db2.gz AINANYIREGOGCJ-UTKZUKDTSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026887 860744194 /nfs/dbraw/zinc/74/41/94/860744194.db2.gz AINANYIREGOGCJ-UTKZUKDTSA-N 2 1 380.960 3.539 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856600381 881576399 /nfs/dbraw/zinc/57/63/99/881576399.db2.gz ZAVRUOGGVDLEPE-HSZRJFAPSA-N 2 1 383.536 3.626 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856600381 881576410 /nfs/dbraw/zinc/57/64/10/881576410.db2.gz ZAVRUOGGVDLEPE-HSZRJFAPSA-N 2 1 383.536 3.626 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856600381 881576420 /nfs/dbraw/zinc/57/64/20/881576420.db2.gz ZAVRUOGGVDLEPE-HSZRJFAPSA-N 2 1 383.536 3.626 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000489825207 860763462 /nfs/dbraw/zinc/76/34/62/860763462.db2.gz XVHXJXXTZVUEDC-KNQAVFIVSA-N 2 1 386.584 3.509 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605512 881580590 /nfs/dbraw/zinc/58/05/90/881580590.db2.gz CNKYEQQULKPRLW-MSOLQXFVSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605512 881580597 /nfs/dbraw/zinc/58/05/97/881580597.db2.gz CNKYEQQULKPRLW-MSOLQXFVSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605512 881580610 /nfs/dbraw/zinc/58/06/10/881580610.db2.gz CNKYEQQULKPRLW-MSOLQXFVSA-N 2 1 386.367 3.959 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000429063359 860933654 /nfs/dbraw/zinc/93/36/54/860933654.db2.gz HMOFHSVBKBAMDH-QHCPKHFHSA-N 2 1 377.532 3.658 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000623363453 860936449 /nfs/dbraw/zinc/93/64/49/860936449.db2.gz VFHQEZPZEJYPFQ-QUCCMNQESA-N 2 1 387.568 3.601 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000623363453 860936460 /nfs/dbraw/zinc/93/64/60/860936460.db2.gz VFHQEZPZEJYPFQ-QUCCMNQESA-N 2 1 387.568 3.601 20 0 GHADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000623363454 860936500 /nfs/dbraw/zinc/93/65/00/860936500.db2.gz VFHQEZPZEJYPFQ-UYAOXDASSA-N 2 1 387.568 3.601 20 0 GHADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000623363454 860936509 /nfs/dbraw/zinc/93/65/09/860936509.db2.gz VFHQEZPZEJYPFQ-UYAOXDASSA-N 2 1 387.568 3.601 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC1CC1 ZINC000623400308 861001658 /nfs/dbraw/zinc/00/16/58/861001658.db2.gz PHUPWCNPHPODDH-OAQYLSRUSA-N 2 1 380.532 3.891 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000603686106 861039701 /nfs/dbraw/zinc/03/97/01/861039701.db2.gz CSHUIMSMUCTPRX-MOPGFXCFSA-N 2 1 375.557 3.848 20 0 GHADMP C[C@H](C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000605510231 863092755 /nfs/dbraw/zinc/09/27/55/863092755.db2.gz NLMJIFJZSRWQKN-YKSBVNFPSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@H](C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000605510231 863092764 /nfs/dbraw/zinc/09/27/64/863092764.db2.gz NLMJIFJZSRWQKN-YKSBVNFPSA-N 2 1 391.559 3.777 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)CC2)oc1C ZINC000194307870 863168926 /nfs/dbraw/zinc/16/89/26/863168926.db2.gz PUTLJAVAUCMZDW-UHFFFAOYSA-N 2 1 379.508 3.683 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000482523667 863263933 /nfs/dbraw/zinc/26/39/33/863263933.db2.gz NTSDVVADMHTXBP-GOSISDBHSA-N 2 1 385.508 3.560 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000605963322 863334379 /nfs/dbraw/zinc/33/43/79/863334379.db2.gz QMVSTXSQXXAGCF-FPOVZHCZSA-N 2 1 398.551 3.578 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000605963322 863334392 /nfs/dbraw/zinc/33/43/92/863334392.db2.gz QMVSTXSQXXAGCF-FPOVZHCZSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062466003 863401989 /nfs/dbraw/zinc/40/19/89/863401989.db2.gz UYPCBOKYLIWXLV-IBGZPJMESA-N 2 1 378.605 3.595 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000183155612 863490531 /nfs/dbraw/zinc/49/05/31/863490531.db2.gz ZLXGRTFMVQLPGE-JXFKEZNVSA-N 2 1 390.487 3.753 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C[C@H](C)O1 ZINC000132737387 881690691 /nfs/dbraw/zinc/69/06/91/881690691.db2.gz MSNOVPXDHZWYNP-RVKKMQEKSA-N 2 1 385.474 3.957 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606637867 863762589 /nfs/dbraw/zinc/76/25/89/863762589.db2.gz ILNTYGOXQNEKOQ-HXUWFJFHSA-N 2 1 392.613 3.791 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[NH+](CCc4cccs4)CC3)ccc21 ZINC000455932523 863791773 /nfs/dbraw/zinc/79/17/73/863791773.db2.gz PYVUSUPMZGMAQX-OAQYLSRUSA-N 2 1 398.576 3.689 20 0 GHADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000103169114 863899921 /nfs/dbraw/zinc/89/99/21/863899921.db2.gz XFTSZYLYHLIWBI-UHFFFAOYSA-N 2 1 381.501 3.890 20 0 GHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000554215313 863909069 /nfs/dbraw/zinc/90/90/69/863909069.db2.gz GPTVJCZKAJKNSA-FQEVSTJZSA-N 2 1 379.548 3.923 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000480061306 863966305 /nfs/dbraw/zinc/96/63/05/863966305.db2.gz XRMCRQNJMKYCJN-QHCPKHFHSA-N 2 1 379.504 3.751 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000480061306 863966310 /nfs/dbraw/zinc/96/63/10/863966310.db2.gz XRMCRQNJMKYCJN-QHCPKHFHSA-N 2 1 379.504 3.751 20 0 GHADMP C[C@@H]1CC([N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054837 863987851 /nfs/dbraw/zinc/98/78/51/863987851.db2.gz UJFPHOMCKPTRQG-TXTKFYIRSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC([N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054837 863987859 /nfs/dbraw/zinc/98/78/59/863987859.db2.gz UJFPHOMCKPTRQG-TXTKFYIRSA-N 2 1 383.580 3.905 20 0 GHADMP Cc1cccc(COc2c(C)cc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2C)c1 ZINC000734506459 864267481 /nfs/dbraw/zinc/26/74/81/864267481.db2.gz FWAIUODOWSHESH-HSZRJFAPSA-N 2 1 382.548 3.737 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000621642519 864347398 /nfs/dbraw/zinc/34/73/98/864347398.db2.gz PJQFDEZTJXSLST-WIYYLYMNSA-N 2 1 397.588 3.744 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000621642519 864347410 /nfs/dbraw/zinc/34/74/10/864347410.db2.gz PJQFDEZTJXSLST-WIYYLYMNSA-N 2 1 397.588 3.744 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000607366282 864349905 /nfs/dbraw/zinc/34/99/05/864349905.db2.gz GLOBHZUTRHVJOC-CYFREDJKSA-N 2 1 398.547 3.599 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000607366282 864349921 /nfs/dbraw/zinc/34/99/21/864349921.db2.gz GLOBHZUTRHVJOC-CYFREDJKSA-N 2 1 398.547 3.599 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c2ccccc21 ZINC000621753935 864401669 /nfs/dbraw/zinc/40/16/69/864401669.db2.gz XZWDSMDXUXZMAH-OAQYLSRUSA-N 2 1 396.535 3.591 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000480471966 864715772 /nfs/dbraw/zinc/71/57/72/864715772.db2.gz QPTIMKKQSISPSJ-CYFREDJKSA-N 2 1 398.595 3.775 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@@H](C)C1 ZINC000480471966 864715779 /nfs/dbraw/zinc/71/57/79/864715779.db2.gz QPTIMKKQSISPSJ-CYFREDJKSA-N 2 1 398.595 3.775 20 0 GHADMP COCc1csc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000667683118 864772987 /nfs/dbraw/zinc/77/29/87/864772987.db2.gz FTEXGNMVHRGIDJ-UHFFFAOYSA-N 2 1 379.614 3.523 20 0 GHADMP COCc1csc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000667683118 864772996 /nfs/dbraw/zinc/77/29/96/864772996.db2.gz FTEXGNMVHRGIDJ-UHFFFAOYSA-N 3 1 379.614 3.523 20 0 GHADMP COCc1csc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000667683118 864773002 /nfs/dbraw/zinc/77/30/02/864773002.db2.gz FTEXGNMVHRGIDJ-UHFFFAOYSA-N 3 1 379.614 3.523 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n(-c2cc[nH+]cc2)n1 ZINC000667687494 864780071 /nfs/dbraw/zinc/78/00/71/864780071.db2.gz OBXRLXFBMVAZSB-INIZCTEOSA-N 2 1 379.533 3.982 20 0 GHADMP c1cc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n(-c2cc[nH+]cc2)n1 ZINC000667687494 864780083 /nfs/dbraw/zinc/78/00/83/864780083.db2.gz OBXRLXFBMVAZSB-INIZCTEOSA-N 2 1 379.533 3.982 20 0 GHADMP Cc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nc(N)[nH+]1 ZINC000735490552 864827083 /nfs/dbraw/zinc/82/70/83/864827083.db2.gz UGKVWIXWYMEXFO-PBHICJAKSA-N 2 1 379.430 3.881 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(Oc5cnccn5)cc4)C[C@@H]3C2)cc1 ZINC000475353140 864840220 /nfs/dbraw/zinc/84/02/20/864840220.db2.gz WBBDHXOPJIPHDG-SZPZYZBQSA-N 2 1 386.499 3.833 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(Oc5cnccn5)cc4)C[C@@H]3C2)cc1 ZINC000475353140 864840232 /nfs/dbraw/zinc/84/02/32/864840232.db2.gz WBBDHXOPJIPHDG-SZPZYZBQSA-N 2 1 386.499 3.833 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(Oc5cnccn5)cc4)C[C@@H]3C2)cc1 ZINC000475353140 864840250 /nfs/dbraw/zinc/84/02/50/864840250.db2.gz WBBDHXOPJIPHDG-SZPZYZBQSA-N 2 1 386.499 3.833 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(Oc5cnccn5)cc4)C[C@@H]3C2)cc1 ZINC000475353140 864840270 /nfs/dbraw/zinc/84/02/70/864840270.db2.gz WBBDHXOPJIPHDG-SZPZYZBQSA-N 2 1 386.499 3.833 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532334322 881815095 /nfs/dbraw/zinc/81/50/95/881815095.db2.gz MFWNPAUJWJYYLA-CCKFTAQKSA-N 2 1 397.485 3.687 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532334322 881815115 /nfs/dbraw/zinc/81/51/15/881815115.db2.gz MFWNPAUJWJYYLA-CCKFTAQKSA-N 2 1 397.485 3.687 20 0 GHADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000608012867 864915345 /nfs/dbraw/zinc/91/53/45/864915345.db2.gz RBZQHDTUOWOWBA-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000480614162 864951885 /nfs/dbraw/zinc/95/18/85/864951885.db2.gz SNDYOEFINUDHQJ-SBHAEUEKSA-N 2 1 389.584 3.562 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000554820818 864976205 /nfs/dbraw/zinc/97/62/05/864976205.db2.gz ZJLWNWIPGKWFGP-FGZHOGPDSA-N 2 1 383.580 3.737 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000554833972 865015891 /nfs/dbraw/zinc/01/58/91/865015891.db2.gz RQHOAJFVSYMVPZ-XMMPIXPASA-N 2 1 396.575 3.914 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000132952687 881831973 /nfs/dbraw/zinc/83/19/73/881831973.db2.gz VKKUDRZEXROCPP-KRWDZBQOSA-N 2 1 382.552 3.888 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000554962110 865222209 /nfs/dbraw/zinc/22/22/09/865222209.db2.gz ZRFYSZCQAOBOHH-NVXDSCFRSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000554962110 865222219 /nfs/dbraw/zinc/22/22/19/865222219.db2.gz ZRFYSZCQAOBOHH-NVXDSCFRSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000554962110 865222228 /nfs/dbraw/zinc/22/22/28/865222228.db2.gz ZRFYSZCQAOBOHH-NVXDSCFRSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000554962110 865222238 /nfs/dbraw/zinc/22/22/38/865222238.db2.gz ZRFYSZCQAOBOHH-NVXDSCFRSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000554962110 865222248 /nfs/dbraw/zinc/22/22/48/865222248.db2.gz ZRFYSZCQAOBOHH-NVXDSCFRSA-N 2 1 391.559 3.706 20 0 GHADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@H](C)N2CC[NH+](C)CC2)c1C ZINC000301394433 865334970 /nfs/dbraw/zinc/33/49/70/865334970.db2.gz DJYTUYLBNGDSBO-ZDUSSCGKSA-N 2 1 391.357 3.662 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133017184 881867120 /nfs/dbraw/zinc/86/71/20/881867120.db2.gz MHVGRSWTJKRXDO-NRFANRHFSA-N 3 1 386.628 3.961 20 0 GHADMP C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000738312338 865528380 /nfs/dbraw/zinc/52/83/80/865528380.db2.gz QHFGWWWKBUBLET-UHFFFAOYSA-N 2 1 377.838 3.571 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738521122 865550451 /nfs/dbraw/zinc/55/04/51/865550451.db2.gz FOXVEJZQMPBTIN-JOCHJYFZSA-N 2 1 397.538 3.758 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000555143204 865577000 /nfs/dbraw/zinc/57/70/00/865577000.db2.gz WCEMQAJWUDTNGS-LJQANCHMSA-N 2 1 396.579 3.943 20 0 GHADMP Cc1ccc2[nH+]ccc(NCc3cccc(C[N@H+]4CCC[C@H](C(N)=O)C4)c3)c2c1 ZINC000302138649 865729465 /nfs/dbraw/zinc/72/94/65/865729465.db2.gz CPWPGWBDDJWEOJ-FQEVSTJZSA-N 2 1 388.515 3.853 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000533986206 865884369 /nfs/dbraw/zinc/88/43/69/865884369.db2.gz NHBCYSZSOCGBCP-SKWRMQMOSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000533986206 865884379 /nfs/dbraw/zinc/88/43/79/865884379.db2.gz NHBCYSZSOCGBCP-SKWRMQMOSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000533986206 865884389 /nfs/dbraw/zinc/88/43/89/865884389.db2.gz NHBCYSZSOCGBCP-SKWRMQMOSA-N 2 1 398.595 3.728 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2)n1 ZINC000475579503 866414480 /nfs/dbraw/zinc/41/44/80/866414480.db2.gz HZGRNGNZVGARML-UHFFFAOYSA-N 2 1 378.442 3.998 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000552904512 866467429 /nfs/dbraw/zinc/46/74/29/866467429.db2.gz JWFOJHFDMMVQSE-PGRDOPGGSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000552904512 866467443 /nfs/dbraw/zinc/46/74/43/866467443.db2.gz JWFOJHFDMMVQSE-PGRDOPGGSA-N 2 1 383.511 3.588 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000444594317 866919728 /nfs/dbraw/zinc/91/97/28/866919728.db2.gz HXUHUZHVQXSXJO-SFHVURJKSA-N 2 1 391.519 3.673 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000444594317 866919735 /nfs/dbraw/zinc/91/97/35/866919735.db2.gz HXUHUZHVQXSXJO-SFHVURJKSA-N 2 1 391.519 3.673 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000479037455 867049678 /nfs/dbraw/zinc/04/96/78/867049678.db2.gz AJNSWPDAKXPPNC-KRWDZBQOSA-N 2 1 383.540 3.663 20 0 GHADMP FC(F)(F)C[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)COC2)C1 ZINC000444705616 867093672 /nfs/dbraw/zinc/09/36/72/867093672.db2.gz NPBHWBXJROICED-KBPBESRZSA-N 2 1 388.396 3.552 20 0 GHADMP FC(F)(F)C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)COC2)C1 ZINC000444705616 867093689 /nfs/dbraw/zinc/09/36/89/867093689.db2.gz NPBHWBXJROICED-KBPBESRZSA-N 2 1 388.396 3.552 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000183689089 867246079 /nfs/dbraw/zinc/24/60/79/867246079.db2.gz IXWFXJCJRHUDBP-IERDGZPVSA-N 2 1 376.460 3.857 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000534710451 867299619 /nfs/dbraw/zinc/29/96/19/867299619.db2.gz VZPBZYPBGKZLDK-OALUTQOASA-N 2 1 395.547 3.918 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)[C@@H](C)C1 ZINC000429787845 867334665 /nfs/dbraw/zinc/33/46/65/867334665.db2.gz XNGNYLMSECOIHG-KWOQKUFVSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)[C@@H](C)C1 ZINC000429787845 867334678 /nfs/dbraw/zinc/33/46/78/867334678.db2.gz XNGNYLMSECOIHG-KWOQKUFVSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)[C@@H](C)C1 ZINC000429787845 867334684 /nfs/dbraw/zinc/33/46/84/867334684.db2.gz XNGNYLMSECOIHG-KWOQKUFVSA-N 2 1 382.548 3.755 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000534721399 867366453 /nfs/dbraw/zinc/36/64/53/867366453.db2.gz GJKUOWSQXHZOQV-PKTZIBPZSA-N 2 1 394.563 3.514 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000620798187 867507081 /nfs/dbraw/zinc/50/70/81/867507081.db2.gz YNSDRZGVGITLOF-FQEVSTJZSA-N 2 1 383.536 3.763 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000444973711 867548236 /nfs/dbraw/zinc/54/82/36/867548236.db2.gz GHKRETGNOLERGU-UHFFFAOYSA-N 2 1 398.595 3.512 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436406 867753011 /nfs/dbraw/zinc/75/30/11/867753011.db2.gz IOBNZPILLLMPAC-HNAYVOBHSA-N 2 1 381.358 3.917 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000553657279 867850723 /nfs/dbraw/zinc/85/07/23/867850723.db2.gz DCKKDGIPIQRYIH-KFKAGJAMSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000553657279 867850737 /nfs/dbraw/zinc/85/07/37/867850737.db2.gz DCKKDGIPIQRYIH-KFKAGJAMSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000553657279 867850751 /nfs/dbraw/zinc/85/07/51/867850751.db2.gz DCKKDGIPIQRYIH-KFKAGJAMSA-N 2 1 380.964 3.505 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479499484 867893315 /nfs/dbraw/zinc/89/33/15/867893315.db2.gz GBAQCKIUDSYSHV-HXUWFJFHSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000535018504 867939737 /nfs/dbraw/zinc/93/97/37/867939737.db2.gz KWLWPDVIRBOTOF-AUSIDOKSSA-N 2 1 398.595 3.776 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000523796441 868003009 /nfs/dbraw/zinc/00/30/09/868003009.db2.gz NFODNIDSSWLMDV-DENIHFKCSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000523796441 868003022 /nfs/dbraw/zinc/00/30/22/868003022.db2.gz NFODNIDSSWLMDV-DENIHFKCSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000523796441 868003039 /nfs/dbraw/zinc/00/30/39/868003039.db2.gz NFODNIDSSWLMDV-DENIHFKCSA-N 2 1 386.584 3.591 20 0 GHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000152709509 868012897 /nfs/dbraw/zinc/01/28/97/868012897.db2.gz VXKBBIMKZVCXSW-RTBURBONSA-N 2 1 399.539 3.531 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000479554844 868041306 /nfs/dbraw/zinc/04/13/06/868041306.db2.gz NEVXOWZGDPSWDS-NRSPTQNISA-N 2 1 378.605 3.545 20 0 GHADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000620932743 868232706 /nfs/dbraw/zinc/23/27/06/868232706.db2.gz GVRKTGUSOISBRR-OAQYLSRUSA-N 2 1 398.595 3.731 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121615280 882183374 /nfs/dbraw/zinc/18/33/74/882183374.db2.gz XZSVQOBASGRIHB-QGZVFWFLSA-N 2 1 392.613 3.861 20 0 GHADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156893903 868495285 /nfs/dbraw/zinc/49/52/85/868495285.db2.gz JJPFGFMHUDTVPZ-JPYJTQIMSA-N 2 1 379.548 3.797 20 0 GHADMP O=C(NCC[NH+]1Cc2ccccc2C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000621002143 868512085 /nfs/dbraw/zinc/51/20/85/868512085.db2.gz OZEZQVUZFVDISA-UHFFFAOYSA-N 2 1 392.547 3.852 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000156953810 868513507 /nfs/dbraw/zinc/51/35/07/868513507.db2.gz RBDAEJVHPXUFRD-DENIHFKCSA-N 2 1 397.950 3.814 20 0 GHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C)c1F ZINC000156972961 868518177 /nfs/dbraw/zinc/51/81/77/868518177.db2.gz GULJRDAIORZCSU-RXVVDRJESA-N 2 1 397.538 3.991 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000457647694 868568297 /nfs/dbraw/zinc/56/82/97/868568297.db2.gz JOWAWTTYUSCTML-YKSBVNFPSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000457647694 868568300 /nfs/dbraw/zinc/56/83/00/868568300.db2.gz JOWAWTTYUSCTML-YKSBVNFPSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000457647694 868568304 /nfs/dbraw/zinc/56/83/04/868568304.db2.gz JOWAWTTYUSCTML-YKSBVNFPSA-N 2 1 398.595 3.688 20 0 GHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000479875449 868641824 /nfs/dbraw/zinc/64/18/24/868641824.db2.gz QQFBTRHRZZHVGY-PTUXOGIPSA-N 2 1 381.564 3.798 20 0 GHADMP O=C(Nc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccc(Cl)cc1Cl ZINC000479966985 868811324 /nfs/dbraw/zinc/81/13/24/868811324.db2.gz SHORTDIVUCUQJK-GASCZTMLSA-N 2 1 390.314 3.897 20 0 GHADMP O=C(Nc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccc(Cl)cc1Cl ZINC000479966985 868811346 /nfs/dbraw/zinc/81/13/46/868811346.db2.gz SHORTDIVUCUQJK-GASCZTMLSA-N 2 1 390.314 3.897 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000539407225 869068884 /nfs/dbraw/zinc/06/88/84/869068884.db2.gz IYIVZCRHELQNQA-NRFANRHFSA-N 2 1 385.596 3.522 20 0 GHADMP O=C(C[N@H+]1CCCC2(CCCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000445872020 869101693 /nfs/dbraw/zinc/10/16/93/869101693.db2.gz QEFHGQPJJLERTM-UHFFFAOYSA-N 2 1 387.593 3.830 20 0 GHADMP CC1(C)CC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000524683309 869420844 /nfs/dbraw/zinc/42/08/44/869420844.db2.gz PNKDGRSZCORNOE-IBGZPJMESA-N 2 1 378.605 3.640 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)[C@H]1c1cccs1 ZINC000491270850 869524124 /nfs/dbraw/zinc/52/41/24/869524124.db2.gz KIIJRNSLISPUDS-RXVVDRJESA-N 2 1 381.549 3.561 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnnn2Cc2ccccc2)[C@H]1c1cccs1 ZINC000491270850 869524134 /nfs/dbraw/zinc/52/41/34/869524134.db2.gz KIIJRNSLISPUDS-RXVVDRJESA-N 2 1 381.549 3.561 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000539688746 869610656 /nfs/dbraw/zinc/61/06/56/869610656.db2.gz FPBFINDCEXWTJL-HXUWFJFHSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000745699929 869745736 /nfs/dbraw/zinc/74/57/36/869745736.db2.gz SREOPNKOJXRLPJ-IBGZPJMESA-N 2 1 398.551 3.585 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000745699929 869745745 /nfs/dbraw/zinc/74/57/45/869745745.db2.gz SREOPNKOJXRLPJ-IBGZPJMESA-N 2 1 398.551 3.585 20 0 GHADMP CCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OCC(C)C ZINC000539898210 869987703 /nfs/dbraw/zinc/98/77/03/869987703.db2.gz NCUWRXUZHCNMMZ-TUNNFDKTSA-N 2 1 390.568 3.804 20 0 GHADMP CCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OCC(C)C ZINC000539898210 869987712 /nfs/dbraw/zinc/98/77/12/869987712.db2.gz NCUWRXUZHCNMMZ-TUNNFDKTSA-N 2 1 390.568 3.804 20 0 GHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000539909003 870006028 /nfs/dbraw/zinc/00/60/28/870006028.db2.gz OROWFPIXDZNGMY-QFIPXVFZSA-N 2 1 392.547 3.571 20 0 GHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000539910138 870009293 /nfs/dbraw/zinc/00/92/93/870009293.db2.gz VSZOTSQZJJYDCE-QHCPKHFHSA-N 2 1 377.532 3.928 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446589153 870069128 /nfs/dbraw/zinc/06/91/28/870069128.db2.gz HDBBEOCGFMBFSI-IBGZPJMESA-N 2 1 380.536 3.529 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446589153 870069140 /nfs/dbraw/zinc/06/91/40/870069140.db2.gz HDBBEOCGFMBFSI-IBGZPJMESA-N 2 1 380.536 3.529 20 0 GHADMP CN(c1ccccc1C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)C1CC[NH+](C)CC1 ZINC000462824269 870166414 /nfs/dbraw/zinc/16/64/14/870166414.db2.gz DLUGIIHEPIMEJF-UHFFFAOYSA-N 2 1 391.559 3.970 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1)CC1CC1 ZINC000540049991 870275846 /nfs/dbraw/zinc/27/58/46/870275846.db2.gz VJEVITQVLKPVEX-UHFFFAOYSA-N 2 1 382.552 3.712 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(OC(F)F)ccc2Br)CC1 ZINC001205591731 870298563 /nfs/dbraw/zinc/29/85/63/870298563.db2.gz OKYMAMYSPBMMOL-OAHLLOKOSA-N 2 1 381.236 3.703 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCOCC4CCOCC4)[C@H]3C2)cc1 ZINC000248392835 870361802 /nfs/dbraw/zinc/36/18/02/870361802.db2.gz DILVEMTXBWBNKK-KMDXXIMOSA-N 2 1 386.580 3.710 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCC4([NH+]5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000248418607 870398662 /nfs/dbraw/zinc/39/86/62/870398662.db2.gz SXOJHUMQUYPBMC-HJOGWXRNSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000248418607 870398701 /nfs/dbraw/zinc/39/87/01/870398701.db2.gz SXOJHUMQUYPBMC-HJOGWXRNSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC4(N5CCCCC5)CCOCC4)[C@H]3C2)cc1 ZINC000248418607 870398723 /nfs/dbraw/zinc/39/87/23/870398723.db2.gz SXOJHUMQUYPBMC-HJOGWXRNSA-N 2 1 397.607 3.522 20 0 GHADMP C([NH+]1CCS[C@H]2CCCC[C@H]21)C1(C[N@H+]2CCS[C@H]3CCCC[C@H]32)COC1 ZINC000248439803 870422610 /nfs/dbraw/zinc/42/26/10/870422610.db2.gz UITHJUREZZWXPE-ZRNYENFQSA-N 2 1 396.666 3.723 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000248458829 870435785 /nfs/dbraw/zinc/43/57/85/870435785.db2.gz VETROZUYYWFJQB-FOIQADDNSA-N 2 1 389.337 3.867 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000540161711 870625504 /nfs/dbraw/zinc/62/55/04/870625504.db2.gz USLOVJCXACJIEU-HSALFYBXSA-N 2 1 378.944 3.911 20 0 GHADMP Cc1[nH+]ccn1CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428802986 870632799 /nfs/dbraw/zinc/63/27/99/870632799.db2.gz QFONOVIUNBNKER-DEOSSOPVSA-N 2 1 389.547 3.753 20 0 GHADMP Cc1[nH+]ccn1CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428802986 870632805 /nfs/dbraw/zinc/63/28/05/870632805.db2.gz QFONOVIUNBNKER-DEOSSOPVSA-N 2 1 389.547 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000248801561 870639988 /nfs/dbraw/zinc/63/99/88/870639988.db2.gz JTERWPMWBQIMRD-DYESRHJHSA-N 2 1 391.515 3.745 20 0 GHADMP CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000540171119 870656052 /nfs/dbraw/zinc/65/60/52/870656052.db2.gz RLPHSJDCQNLDQR-GOTSBHOMSA-N 2 1 390.568 3.866 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCS2 ZINC000248848504 870661718 /nfs/dbraw/zinc/66/17/18/870661718.db2.gz PPPODWNLOURBMP-NQIIRXRSSA-N 2 1 384.545 3.589 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CC[N@@H+]1Cc1ccccc1 ZINC000463114363 870912780 /nfs/dbraw/zinc/91/27/80/870912780.db2.gz RZZVLPSYTFFQIN-HTAPYJJXSA-N 2 1 384.495 3.877 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)CC[N@H+]1Cc1ccccc1 ZINC000463114363 870912785 /nfs/dbraw/zinc/91/27/85/870912785.db2.gz RZZVLPSYTFFQIN-HTAPYJJXSA-N 2 1 384.495 3.877 20 0 GHADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299689 870939042 /nfs/dbraw/zinc/93/90/42/870939042.db2.gz QQFKNUVCXZLEBC-AEFFLSMTSA-N 2 1 385.474 3.580 20 0 GHADMP COc1cccc(OCCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463115983 870952163 /nfs/dbraw/zinc/95/21/63/870952163.db2.gz AIVPCKVNCYWWHG-UHFFFAOYSA-N 2 1 386.511 3.900 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1)CC1CC1 ZINC000538950067 870962759 /nfs/dbraw/zinc/96/27/59/870962759.db2.gz SNTANISIYXKIMG-UHFFFAOYSA-N 2 1 375.532 3.988 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000463140774 870963985 /nfs/dbraw/zinc/96/39/85/870963985.db2.gz IENFTDYGDJDIDB-UHFFFAOYSA-N 2 1 392.591 3.583 20 0 GHADMP COc1cccc(N2CCC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463122889 870964361 /nfs/dbraw/zinc/96/43/61/870964361.db2.gz HCFRZLVSAZGHRS-HSZRJFAPSA-N 2 1 393.575 3.961 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001193248539 870973277 /nfs/dbraw/zinc/97/32/77/870973277.db2.gz FFRXDZLSECXCBB-YDZRNGNQSA-N 2 1 379.589 3.732 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000463147178 870975115 /nfs/dbraw/zinc/97/51/15/870975115.db2.gz ACXYLQCLPLYINE-FQEVSTJZSA-N 2 1 397.611 3.615 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000250527584 870986991 /nfs/dbraw/zinc/98/69/91/870986991.db2.gz RCXNBQMMZDQFAF-RTBURBONSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000250527584 870987001 /nfs/dbraw/zinc/98/70/01/870987001.db2.gz RCXNBQMMZDQFAF-RTBURBONSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000250527584 870987006 /nfs/dbraw/zinc/98/70/06/870987006.db2.gz RCXNBQMMZDQFAF-RTBURBONSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463149477 871018843 /nfs/dbraw/zinc/01/88/43/871018843.db2.gz LECQFUIAOZVYLL-URXFXBBRSA-N 3 1 395.591 3.812 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463149477 871018857 /nfs/dbraw/zinc/01/88/57/871018857.db2.gz LECQFUIAOZVYLL-URXFXBBRSA-N 3 1 395.591 3.812 20 0 GHADMP COc1ccc(CN2CC[C@H]([N@@H+](C3CCCC3)C3CCN(C)CC3)CC2=O)cc1 ZINC001168959213 871059423 /nfs/dbraw/zinc/05/94/23/871059423.db2.gz USSONLPESBMRJD-QFIPXVFZSA-N 2 1 399.579 3.525 20 0 GHADMP c1ccc(N2CCN(CCC[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000509643502 871060214 /nfs/dbraw/zinc/06/02/14/871060214.db2.gz NWZWORRXXXCBFD-DEOSSOPVSA-N 2 1 398.639 3.787 20 0 GHADMP c1ccc(N2CCN(CCC[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000509643502 871060238 /nfs/dbraw/zinc/06/02/38/871060238.db2.gz NWZWORRXXXCBFD-DEOSSOPVSA-N 2 1 398.639 3.787 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c3ccccc3c(CC[NH3+])c1CC(=O)OC(C)(C)C)C2 ZINC001169123392 871214172 /nfs/dbraw/zinc/21/41/72/871214172.db2.gz KPISNUYQLFFFTA-PIIMJCKOSA-N 2 1 397.563 3.824 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128004 871217685 /nfs/dbraw/zinc/21/76/85/871217685.db2.gz BCZDVOMCIRZBCB-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128004 871217695 /nfs/dbraw/zinc/21/76/95/871217695.db2.gz BCZDVOMCIRZBCB-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128004 871217714 /nfs/dbraw/zinc/21/77/14/871217714.db2.gz BCZDVOMCIRZBCB-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128004 871217728 /nfs/dbraw/zinc/21/77/28/871217728.db2.gz BCZDVOMCIRZBCB-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCO1 ZINC000463240053 871238430 /nfs/dbraw/zinc/23/84/30/871238430.db2.gz HYFGJYSUYUVIPH-QGZVFWFLSA-N 2 1 397.966 3.534 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCO1 ZINC000463240053 871238440 /nfs/dbraw/zinc/23/84/40/871238440.db2.gz HYFGJYSUYUVIPH-QGZVFWFLSA-N 2 1 397.966 3.534 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000525709574 871268616 /nfs/dbraw/zinc/26/86/16/871268616.db2.gz PKYKJTZEFRZXKE-XLIONFOSSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000525709574 871268630 /nfs/dbraw/zinc/26/86/30/871268630.db2.gz PKYKJTZEFRZXKE-XLIONFOSSA-N 2 1 384.520 3.855 20 0 GHADMP C[C@H]1C[C@@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463260312 871278947 /nfs/dbraw/zinc/27/89/47/871278947.db2.gz CEPIBEWWYCPMAJ-ORYQWCPZSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CCN1Cc1ccccc1 ZINC000463260312 871278968 /nfs/dbraw/zinc/27/89/68/871278968.db2.gz CEPIBEWWYCPMAJ-ORYQWCPZSA-N 2 1 385.939 3.899 20 0 GHADMP C[N@@H+](C[C@@H](O)COc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000252481296 871315368 /nfs/dbraw/zinc/31/53/68/871315368.db2.gz UQJCYCYDTVUMEP-VQTJNVASSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252481296 871315390 /nfs/dbraw/zinc/31/53/90/871315390.db2.gz UQJCYCYDTVUMEP-VQTJNVASSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252481296 871315413 /nfs/dbraw/zinc/31/54/13/871315413.db2.gz UQJCYCYDTVUMEP-VQTJNVASSA-N 2 1 388.939 3.534 20 0 GHADMP CC[NH+]1CCC([N@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001169264149 871327815 /nfs/dbraw/zinc/32/78/15/871327815.db2.gz IKGHZDZLZHHXEO-DEOSSOPVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[NH+]1CCC([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001169264149 871327833 /nfs/dbraw/zinc/32/78/33/871327833.db2.gz IKGHZDZLZHHXEO-DEOSSOPVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(-c3ccncc3)c2)c2cccs2)CC1 ZINC000525758802 871351888 /nfs/dbraw/zinc/35/18/88/871351888.db2.gz DGKRMBVAVBCGSI-JOCHJYFZSA-N 2 1 392.572 3.888 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539160548 871419477 /nfs/dbraw/zinc/41/94/77/871419477.db2.gz NFQFXUKMOGPGDU-QFIPXVFZSA-N 2 1 395.503 3.853 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001169371324 871434923 /nfs/dbraw/zinc/43/49/23/871434923.db2.gz LMRJAGZQKUQTEQ-LWYYNNOASA-N 2 1 394.943 3.523 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)CC1 ZINC000539170602 871457603 /nfs/dbraw/zinc/45/76/03/871457603.db2.gz JCCYESFQVATQIT-UHFFFAOYSA-N 2 1 394.648 3.898 20 0 GHADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000539200096 871487567 /nfs/dbraw/zinc/48/75/67/871487567.db2.gz ASGXCFVPZFJMGA-QAPCUYQASA-N 2 1 386.367 3.868 20 0 GHADMP CSc1ccccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001194240485 871578248 /nfs/dbraw/zinc/57/82/48/871578248.db2.gz JYNRMDIVXVLDSC-QFIPXVFZSA-N 2 1 381.589 3.801 20 0 GHADMP CSc1ccccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001194240485 871578262 /nfs/dbraw/zinc/57/82/62/871578262.db2.gz JYNRMDIVXVLDSC-QFIPXVFZSA-N 2 1 381.589 3.801 20 0 GHADMP CC(C)([NH3+])c1ccccc1N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517606 871624670 /nfs/dbraw/zinc/62/46/70/871624670.db2.gz FJHOXSLKADBNLR-WIYYLYMNSA-N 2 1 381.520 3.752 20 0 GHADMP Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000539288153 871642059 /nfs/dbraw/zinc/64/20/59/871642059.db2.gz CKRUNCDHLOCLSJ-VWPQPMDRSA-N 2 1 379.548 3.733 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)c1)C1CC1 ZINC000539331263 871710117 /nfs/dbraw/zinc/71/01/17/871710117.db2.gz DWKMWNJSLITPRN-HSZRJFAPSA-N 2 1 377.532 3.926 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1)C1CC1 ZINC000539331263 871710128 /nfs/dbraw/zinc/71/01/28/871710128.db2.gz DWKMWNJSLITPRN-HSZRJFAPSA-N 2 1 377.532 3.926 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1)C1CC1 ZINC000539331263 871710139 /nfs/dbraw/zinc/71/01/39/871710139.db2.gz DWKMWNJSLITPRN-HSZRJFAPSA-N 2 1 377.532 3.926 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533946728 871761861 /nfs/dbraw/zinc/76/18/61/871761861.db2.gz LXYFQSFNHBUURZ-PKTZIBPZSA-N 2 1 398.595 3.729 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001169712698 871801288 /nfs/dbraw/zinc/80/12/88/871801288.db2.gz DBXFXIFZERKPJN-QHCPKHFHSA-N 2 1 377.532 3.545 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001169721435 871810488 /nfs/dbraw/zinc/81/04/88/871810488.db2.gz PUTMBMWHHRDKQW-UPVQGACJSA-N 2 1 391.559 3.793 20 0 GHADMP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169745796 871816889 /nfs/dbraw/zinc/81/68/89/871816889.db2.gz BOTKTBRJCOHJCU-NRFANRHFSA-N 2 1 397.950 3.895 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC001194690411 871888417 /nfs/dbraw/zinc/88/84/17/871888417.db2.gz BWRIBCQTCLTUDJ-JWQCQUIFSA-N 2 1 377.576 3.930 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC001194690411 871888437 /nfs/dbraw/zinc/88/84/37/871888437.db2.gz BWRIBCQTCLTUDJ-JWQCQUIFSA-N 2 1 377.576 3.930 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001194690411 871888460 /nfs/dbraw/zinc/88/84/60/871888460.db2.gz BWRIBCQTCLTUDJ-JWQCQUIFSA-N 2 1 377.576 3.930 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(C)c1 ZINC000552041003 871919834 /nfs/dbraw/zinc/91/98/34/871919834.db2.gz WQWUSSXEMPPIGE-QHCPKHFHSA-N 2 1 395.547 3.897 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cnc(N5CCCC5)nc4)C3)CC2)cc1 ZINC000552060099 871958411 /nfs/dbraw/zinc/95/84/11/871958411.db2.gz HTBLPRPHQMEEGW-UHFFFAOYSA-N 2 1 391.563 3.565 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071475 871979198 /nfs/dbraw/zinc/97/91/98/871979198.db2.gz HRQOHFWHRTXUMO-ZFWWWQNUSA-N 2 1 383.330 3.525 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071475 871979212 /nfs/dbraw/zinc/97/92/12/871979212.db2.gz HRQOHFWHRTXUMO-ZFWWWQNUSA-N 2 1 383.330 3.525 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071475 871979214 /nfs/dbraw/zinc/97/92/14/871979214.db2.gz HRQOHFWHRTXUMO-ZFWWWQNUSA-N 2 1 383.330 3.525 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1C ZINC000552071475 871979223 /nfs/dbraw/zinc/97/92/23/871979223.db2.gz HRQOHFWHRTXUMO-ZFWWWQNUSA-N 2 1 383.330 3.525 20 0 GHADMP OC[C@@H](CNc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC001169897037 871985596 /nfs/dbraw/zinc/98/55/96/871985596.db2.gz ADDOKSUHGLBLPT-CTNGQTDRSA-N 2 1 378.520 3.614 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3C[C@H](c4ccccc4)C3(C)C)cc2)CC1 ZINC000463554122 872018645 /nfs/dbraw/zinc/01/86/45/872018645.db2.gz XUOZLYCEGMDKHC-PKTZIBPZSA-N 2 1 391.559 3.746 20 0 GHADMP O=C(C[N@@H+]1CC[C@H](C2CCC2)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195146102 872198820 /nfs/dbraw/zinc/19/88/20/872198820.db2.gz BLEPSKCMWWOVIX-RXVVDRJESA-N 2 1 389.971 3.715 20 0 GHADMP O=C(C[N@H+]1CC[C@H](C2CCC2)C1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195146102 872198835 /nfs/dbraw/zinc/19/88/35/872198835.db2.gz BLEPSKCMWWOVIX-RXVVDRJESA-N 2 1 389.971 3.715 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000552228759 872253525 /nfs/dbraw/zinc/25/35/25/872253525.db2.gz VGSWMWUOJGEYOH-MXXWWZHRSA-N 2 1 385.596 3.663 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)[C@H]2CCC[C@@H]21 ZINC000552251048 872269912 /nfs/dbraw/zinc/26/99/12/872269912.db2.gz JJYDWOCUKMYCSQ-LDTOTXGLSA-N 2 1 392.385 3.738 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000552268224 872328936 /nfs/dbraw/zinc/32/89/36/872328936.db2.gz BGYQKSRMEUXZPJ-LSDHHAIUSA-N 2 1 376.460 3.923 20 0 GHADMP C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001129363825 872426116 /nfs/dbraw/zinc/42/61/16/872426116.db2.gz GYIGYWXVJCVYAD-PKTZIBPZSA-N 2 1 391.559 3.808 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000552525102 872790330 /nfs/dbraw/zinc/79/03/30/872790330.db2.gz DRIRRZUVJWCISF-UHFFFAOYSA-N 3 1 396.554 3.734 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1)CC(C)C ZINC000552648398 872946691 /nfs/dbraw/zinc/94/66/91/872946691.db2.gz RQEALAWXRCNWBD-UHFFFAOYSA-N 2 1 392.563 3.817 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000478415483 872968883 /nfs/dbraw/zinc/96/88/83/872968883.db2.gz MUZWADPPADWZOP-RTBURBONSA-N 2 1 392.975 3.506 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000478415483 872968889 /nfs/dbraw/zinc/96/88/89/872968889.db2.gz MUZWADPPADWZOP-RTBURBONSA-N 2 1 392.975 3.506 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000768092701 873060344 /nfs/dbraw/zinc/06/03/44/873060344.db2.gz FVSSUYXLONKQBO-XMMPIXPASA-N 2 1 393.575 4.000 20 0 GHADMP Cc1ccc([C@@H](Cc2ccccc2Br)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000464072989 873172320 /nfs/dbraw/zinc/17/23/20/873172320.db2.gz SRIIFXPTGQTANV-UYAOXDASSA-N 2 1 391.353 3.553 20 0 GHADMP COC(=O)COc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000541236594 873197366 /nfs/dbraw/zinc/19/73/66/873197366.db2.gz RVFAVWUFJXRDJV-LJQANCHMSA-N 2 1 388.552 3.715 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527718327 873525368 /nfs/dbraw/zinc/52/53/68/873525368.db2.gz IJWYXYFOKVPQEM-LBPRGKRZSA-N 2 1 383.359 3.722 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000541542366 873800258 /nfs/dbraw/zinc/80/02/58/873800258.db2.gz TUXRGSWDLKHBRJ-DXIQSLLYSA-N 2 1 396.531 3.800 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000541542366 873800275 /nfs/dbraw/zinc/80/02/75/873800275.db2.gz TUXRGSWDLKHBRJ-DXIQSLLYSA-N 2 1 396.531 3.800 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000541582091 873869756 /nfs/dbraw/zinc/86/97/56/873869756.db2.gz KCUFBTZILIOVOD-VGSWGCGISA-N 2 1 383.561 3.694 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCOCc3ccccc3)CC2)CC1 ZINC000541577327 873894693 /nfs/dbraw/zinc/89/46/93/873894693.db2.gz RJHGFRHAMXZJEY-UHFFFAOYSA-N 2 1 387.612 3.721 20 0 GHADMP C[N@H+](CCCOCc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000541577327 873894703 /nfs/dbraw/zinc/89/47/03/873894703.db2.gz RJHGFRHAMXZJEY-UHFFFAOYSA-N 3 1 387.612 3.721 20 0 GHADMP C[N@@H+](CCCOCc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000541577327 873894718 /nfs/dbraw/zinc/89/47/18/873894718.db2.gz RJHGFRHAMXZJEY-UHFFFAOYSA-N 3 1 387.612 3.721 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000528056552 873954436 /nfs/dbraw/zinc/95/44/36/873954436.db2.gz IUSGPBKDVSTMQX-FYYLOGMGSA-N 2 1 383.580 3.525 20 0 GHADMP COCc1cccc(OCC2(C[N@H+]3CCN(c4cc[nH+]cc4)C[C@@H]3C)CCC2)c1 ZINC001197929964 874117068 /nfs/dbraw/zinc/11/70/68/874117068.db2.gz NCDIDDIYAFMSHS-FQEVSTJZSA-N 2 1 395.547 3.988 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000192143460 882799877 /nfs/dbraw/zinc/79/98/77/882799877.db2.gz AWXYLDQICIYSNO-QFIPXVFZSA-N 2 1 378.520 3.573 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476658719 882806528 /nfs/dbraw/zinc/80/65/28/882806528.db2.gz RLNOWNIJJPCCOS-FPOVZHCZSA-N 2 1 398.551 3.626 20 0 GHADMP COCCOc1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1 ZINC000449086207 874438698 /nfs/dbraw/zinc/43/86/98/874438698.db2.gz BGPDQGADZSIBNK-HXUWFJFHSA-N 2 1 382.548 3.897 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000449098737 874471170 /nfs/dbraw/zinc/47/11/70/874471170.db2.gz KLTAORZIENOAIS-GOSISDBHSA-N 2 1 388.577 3.824 20 0 GHADMP Fc1cccc(F)c1-c1ncc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000449164597 874560473 /nfs/dbraw/zinc/56/04/73/874560473.db2.gz ZSYPMJSSNLGVHD-CQSZACIVSA-N 2 1 393.503 3.679 20 0 GHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)cc1 ZINC000449222684 874613449 /nfs/dbraw/zinc/61/34/49/874613449.db2.gz IIKSVBVNJRVZQK-UHFFFAOYSA-N 2 1 386.348 3.636 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528474053 874618313 /nfs/dbraw/zinc/61/83/13/874618313.db2.gz HFCUAPUBFVMXLD-GOSISDBHSA-N 2 1 392.906 3.756 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528474053 874618324 /nfs/dbraw/zinc/61/83/24/874618324.db2.gz HFCUAPUBFVMXLD-GOSISDBHSA-N 2 1 392.906 3.756 20 0 GHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000449249772 874629124 /nfs/dbraw/zinc/62/91/24/874629124.db2.gz KESIJAWNFSCYBI-OAQYLSRUSA-N 2 1 392.591 3.983 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000449329893 874714978 /nfs/dbraw/zinc/71/49/78/874714978.db2.gz QOXCNBCWPAHLTF-FQEVSTJZSA-N 2 1 378.564 3.867 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000302991640 874756112 /nfs/dbraw/zinc/75/61/12/874756112.db2.gz FZYFVOBASXWKSY-PKTZIBPZSA-N 2 1 388.596 3.795 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000302991640 874756122 /nfs/dbraw/zinc/75/61/22/874756122.db2.gz FZYFVOBASXWKSY-PKTZIBPZSA-N 2 1 388.596 3.795 20 0 GHADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449417630 874813524 /nfs/dbraw/zinc/81/35/24/874813524.db2.gz ZLGDHDCRBFETGX-RTWAWAEBSA-N 2 1 376.516 3.544 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449597750 875101423 /nfs/dbraw/zinc/10/14/23/875101423.db2.gz ZTFDOJTZDQIYBM-PHQLXWQESA-N 2 1 394.563 3.531 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000449623049 875141328 /nfs/dbraw/zinc/14/13/28/875141328.db2.gz KYRABKHWFKVNAX-GDBMZVCRSA-N 2 1 377.579 3.981 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCO[C@@H](c4cccs4)C3)sc2C1 ZINC000449623049 875141338 /nfs/dbraw/zinc/14/13/38/875141338.db2.gz KYRABKHWFKVNAX-GDBMZVCRSA-N 2 1 377.579 3.981 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc2ccc(Cl)cc2c1C ZINC000303184789 875203694 /nfs/dbraw/zinc/20/36/94/875203694.db2.gz ZBCWISWOVMTEMU-QGZVFWFLSA-N 2 1 391.943 3.883 20 0 GHADMP CC(C)(C)[PH+](CCCNC(=S)NCCC[NH+]1CCOCC1)C(C)(C)C ZINC001199961092 875255169 /nfs/dbraw/zinc/25/51/69/875255169.db2.gz RFCAWBXESBBMNC-UHFFFAOYSA-N 2 1 389.590 3.642 20 0 GHADMP C[C@H](CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451328 875596506 /nfs/dbraw/zinc/59/65/06/875596506.db2.gz SVPIVDUSGHZLTO-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529368386 876044016 /nfs/dbraw/zinc/04/40/16/876044016.db2.gz XINNGNKYYMLBGB-QXOQWBMLSA-N 2 1 383.580 3.618 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529368386 876044028 /nfs/dbraw/zinc/04/40/28/876044028.db2.gz XINNGNKYYMLBGB-QXOQWBMLSA-N 2 1 383.580 3.618 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529368386 876044044 /nfs/dbraw/zinc/04/40/44/876044044.db2.gz XINNGNKYYMLBGB-QXOQWBMLSA-N 2 1 383.580 3.618 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1=O ZINC001202219076 876063430 /nfs/dbraw/zinc/06/34/30/876063430.db2.gz CTZPYGZDRJCLAU-DEOSSOPVSA-N 2 1 375.516 3.540 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1=O ZINC001202219076 876063445 /nfs/dbraw/zinc/06/34/45/876063445.db2.gz CTZPYGZDRJCLAU-DEOSSOPVSA-N 2 1 375.516 3.540 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000529401313 876077932 /nfs/dbraw/zinc/07/79/32/876077932.db2.gz XNUZSWOPXWBQOQ-DHIUTWEWSA-N 2 1 397.607 3.725 20 0 GHADMP COc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1Cl ZINC000450478167 876493658 /nfs/dbraw/zinc/49/36/58/876493658.db2.gz ZSFCMPNNVZEYSQ-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP COc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000450478167 876493670 /nfs/dbraw/zinc/49/36/70/876493670.db2.gz ZSFCMPNNVZEYSQ-UHFFFAOYSA-N 3 1 394.003 3.977 20 0 GHADMP COc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000450478167 876493683 /nfs/dbraw/zinc/49/36/83/876493683.db2.gz ZSFCMPNNVZEYSQ-UHFFFAOYSA-N 3 1 394.003 3.977 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cccc2C1 ZINC000850034653 876619012 /nfs/dbraw/zinc/61/90/12/876619012.db2.gz KGKUWAIYPUXNQE-WOJBJXKFSA-N 2 1 385.552 3.696 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000450642647 876697404 /nfs/dbraw/zinc/69/74/04/876697404.db2.gz IYLOWFPZLRIAJP-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP C[C@H](c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450642304 876698755 /nfs/dbraw/zinc/69/87/55/876698755.db2.gz IMSACKVMKQXRSF-HLIPFELVSA-N 2 1 383.502 3.810 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000174148443 876859945 /nfs/dbraw/zinc/85/99/45/876859945.db2.gz MXRGOQGNHOFDIH-NFBKMPQASA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433839 876917545 /nfs/dbraw/zinc/91/75/45/876917545.db2.gz RQGCQBUYRCSAMF-QFBILLFUSA-N 2 1 397.485 3.732 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCC(C)CC1 ZINC000174385889 876998466 /nfs/dbraw/zinc/99/84/66/876998466.db2.gz MERIRTFXLCFAJV-HBFSDRIKSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000174879930 877303623 /nfs/dbraw/zinc/30/36/23/877303623.db2.gz FLKDXKMDZLSWKX-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000551723190 877713458 /nfs/dbraw/zinc/71/34/58/877713458.db2.gz WJCMBXDCEPAAOZ-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[NH+]2CCC[C@H]2[C@H]2CCCO2)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000551723190 877713465 /nfs/dbraw/zinc/71/34/65/877713465.db2.gz WJCMBXDCEPAAOZ-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[NH+]2CCC[C@H]2[C@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000551723190 877713467 /nfs/dbraw/zinc/71/34/67/877713467.db2.gz WJCMBXDCEPAAOZ-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000551723188 877713733 /nfs/dbraw/zinc/71/37/33/877713733.db2.gz WJCMBXDCEPAAOZ-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[NH+]2CCC[C@H]2[C@@H]2CCCO2)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000551723188 877713736 /nfs/dbraw/zinc/71/37/36/877713736.db2.gz WJCMBXDCEPAAOZ-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[NH+]2CCC[C@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000551723188 877713746 /nfs/dbraw/zinc/71/37/46/877713746.db2.gz WJCMBXDCEPAAOZ-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248608998 912275196 /nfs/dbraw/zinc/27/51/96/912275196.db2.gz XDPIBGYIKCKIDJ-YZVOILCLSA-N 2 1 381.358 3.725 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245421622 877848221 /nfs/dbraw/zinc/84/82/21/877848221.db2.gz IBJIWDZCYHKNQD-SFTDATJTSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000615620821 877929668 /nfs/dbraw/zinc/92/96/68/877929668.db2.gz UQGHYOWRLKDQEG-FQEVSTJZSA-N 2 1 394.991 3.705 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000615620821 877929693 /nfs/dbraw/zinc/92/96/93/877929693.db2.gz UQGHYOWRLKDQEG-FQEVSTJZSA-N 2 1 394.991 3.705 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C2 ZINC000852105979 878077260 /nfs/dbraw/zinc/07/72/60/878077260.db2.gz RMVWUWHOYMDOKG-WOIUINJBSA-N 2 1 379.589 3.735 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C2 ZINC000852105979 878077279 /nfs/dbraw/zinc/07/72/79/878077279.db2.gz RMVWUWHOYMDOKG-WOIUINJBSA-N 2 1 379.589 3.735 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C2 ZINC000852105979 878077298 /nfs/dbraw/zinc/07/72/98/878077298.db2.gz RMVWUWHOYMDOKG-WOIUINJBSA-N 2 1 379.589 3.735 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000530581410 878096449 /nfs/dbraw/zinc/09/64/49/878096449.db2.gz OXUWPARVKQWGGG-WBAXXEDZSA-N 2 1 385.474 3.687 20 0 GHADMP CC[N@@H+](CCCC(=O)NCCCCC[NH+](C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183149509 912309930 /nfs/dbraw/zinc/30/99/30/912309930.db2.gz SSZMIYZNUAXRQH-FQEVSTJZSA-N 2 1 391.600 3.576 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@@H](c2ccccc2)C1 ZINC000788517703 878123566 /nfs/dbraw/zinc/12/35/66/878123566.db2.gz CMPLURRIWHABPV-WOJBJXKFSA-N 2 1 384.955 3.691 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000245575081 878133550 /nfs/dbraw/zinc/13/35/50/878133550.db2.gz ZTXLYHJJMBWTTJ-JOCHJYFZSA-N 2 1 378.564 3.903 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852297376 878207280 /nfs/dbraw/zinc/20/72/80/878207280.db2.gz YMLQJHHCPVKUGQ-FQEVSTJZSA-N 2 1 390.572 3.941 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000245669578 878332310 /nfs/dbraw/zinc/33/23/10/878332310.db2.gz HQFZDDQTMOYJKR-PXNSSMCTSA-N 2 1 395.950 3.709 20 0 GHADMP CCc1ccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000537844604 878377999 /nfs/dbraw/zinc/37/79/99/878377999.db2.gz NRSMQELSNFCOTP-UHFFFAOYSA-N 2 1 380.536 3.821 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000177059802 878543454 /nfs/dbraw/zinc/54/34/54/878543454.db2.gz NLQVBAKXYMIGKV-HBAHCVPVSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000177059802 878543475 /nfs/dbraw/zinc/54/34/75/878543475.db2.gz NLQVBAKXYMIGKV-HBAHCVPVSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000177059802 878543483 /nfs/dbraw/zinc/54/34/83/878543483.db2.gz NLQVBAKXYMIGKV-HBAHCVPVSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000177059802 878543492 /nfs/dbraw/zinc/54/34/92/878543492.db2.gz NLQVBAKXYMIGKV-HBAHCVPVSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245774883 878576809 /nfs/dbraw/zinc/57/68/09/878576809.db2.gz XXVBFQAJYVGNPD-KOUNCHBCSA-N 2 1 392.547 3.834 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245774883 878576817 /nfs/dbraw/zinc/57/68/17/878576817.db2.gz XXVBFQAJYVGNPD-KOUNCHBCSA-N 2 1 392.547 3.834 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000537962004 878597610 /nfs/dbraw/zinc/59/76/10/878597610.db2.gz HASLCMAODIVSDX-RJGXRXQPSA-N 2 1 384.564 3.747 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000245946763 878786518 /nfs/dbraw/zinc/78/65/18/878786518.db2.gz AFTWRUDAYQIXMS-UYAOXDASSA-N 2 1 380.598 3.602 20 0 GHADMP CCC(CC)(CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000246169201 879097280 /nfs/dbraw/zinc/09/72/80/879097280.db2.gz FRYWRJVBCLMCAA-SFHLNBCPSA-N 2 1 388.600 3.878 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCC(C)CC1 ZINC000246187287 879140217 /nfs/dbraw/zinc/14/02/17/879140217.db2.gz MERIRTFXLCFAJV-QWFCFKBJSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCC(C)CC1 ZINC000246187295 879140554 /nfs/dbraw/zinc/14/05/54/879140554.db2.gz MERIRTFXLCFAJV-WSTZPKSXSA-N 2 1 392.613 3.551 20 0 GHADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375767947 879277956 /nfs/dbraw/zinc/27/79/56/879277956.db2.gz KVIJLGWUTVKWRJ-QFBILLFUSA-N 2 1 380.458 3.920 20 0 GHADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000375767947 879277976 /nfs/dbraw/zinc/27/79/76/879277976.db2.gz KVIJLGWUTVKWRJ-QFBILLFUSA-N 2 1 380.458 3.920 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccc3OC(F)F)CC2)C[C@H](C)O1 ZINC000531178309 879299739 /nfs/dbraw/zinc/29/97/39/879299739.db2.gz UFWIVOPJFWQJAD-CALCHBBNSA-N 2 1 382.495 3.999 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000246477799 879597089 /nfs/dbraw/zinc/59/70/89/879597089.db2.gz LCNBIOBWYNEFEP-AKIFATBCSA-N 2 1 398.595 3.699 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246654299 879740267 /nfs/dbraw/zinc/74/02/67/879740267.db2.gz ZPHPXYCBVVOKFK-RTBURBONSA-N 2 1 397.567 3.955 20 0 GHADMP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)Cc1ccccc1 ZINC000493972187 879788941 /nfs/dbraw/zinc/78/89/41/879788941.db2.gz SMLQZTFZILYYGM-UHFFFAOYSA-N 2 1 379.548 3.811 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCCC1)Cc1ccccc1 ZINC000493972187 879788957 /nfs/dbraw/zinc/78/89/57/879788957.db2.gz SMLQZTFZILYYGM-UHFFFAOYSA-N 2 1 379.548 3.811 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000246950989 879858619 /nfs/dbraw/zinc/85/86/19/879858619.db2.gz ICEKFEZEVSSJMS-RBUKOAKNSA-N 2 1 390.535 3.888 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(OC)[C@@H](C)c3ccccc3C)CC2)CC1 ZINC000854522509 879877611 /nfs/dbraw/zinc/87/76/11/879877611.db2.gz USBAPPPRBQBVPL-IBGZPJMESA-N 2 1 387.568 3.642 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000790749339 879979789 /nfs/dbraw/zinc/97/97/89/879979789.db2.gz ZAHFLPLFLXPKCM-FQUXPLTJSA-N 2 1 399.579 3.934 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1OC ZINC000286001949 912533469 /nfs/dbraw/zinc/53/34/69/912533469.db2.gz ISWVKEKTQDRBGJ-OAHLLOKOSA-N 2 1 380.492 3.622 20 0 GHADMP COC(=O)c1csc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000286030093 912543090 /nfs/dbraw/zinc/54/30/90/912543090.db2.gz KDEWYAKIGVHDBO-HOTGVXAUSA-N 2 1 388.533 3.606 20 0 GHADMP COC(=O)c1csc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000286030093 912543107 /nfs/dbraw/zinc/54/31/07/912543107.db2.gz KDEWYAKIGVHDBO-HOTGVXAUSA-N 2 1 388.533 3.606 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CSCCc3ccccc32)c2cccs2)CC1 ZINC000531676936 880307510 /nfs/dbraw/zinc/30/75/10/880307510.db2.gz UTFLRFPCIHQOJE-PMACEKPBSA-N 2 1 387.618 3.657 20 0 GHADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000531758991 880397670 /nfs/dbraw/zinc/39/76/70/880397670.db2.gz GFMJKYZHIGYFEV-PKTZIBPZSA-N 2 1 395.547 3.518 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCCc3ccc(Br)cc32)CC1 ZINC000453089525 880448513 /nfs/dbraw/zinc/44/85/13/880448513.db2.gz KFVOGFMGVLSZAS-IBGZPJMESA-N 2 1 381.358 3.653 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453095842 880461471 /nfs/dbraw/zinc/46/14/71/880461471.db2.gz VCPXAQNLOHAUME-DNVJHFABSA-N 2 1 383.580 3.666 20 0 GHADMP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000643249739 912572196 /nfs/dbraw/zinc/57/21/96/912572196.db2.gz IJSHESCRKPVRBC-UHFFFAOYSA-N 3 1 385.596 3.607 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453135217 880530533 /nfs/dbraw/zinc/53/05/33/880530533.db2.gz WFGOPHAWOFAYSG-DNVJHFABSA-N 2 1 380.532 3.591 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453135217 880530546 /nfs/dbraw/zinc/53/05/46/880530546.db2.gz WFGOPHAWOFAYSG-DNVJHFABSA-N 2 1 380.532 3.591 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cc(-c2ccccc2)nn1C ZINC000453226335 880647979 /nfs/dbraw/zinc/64/79/79/880647979.db2.gz NNDDLUIIIYRRMA-SFHVURJKSA-N 2 1 393.535 3.663 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000531932838 880783797 /nfs/dbraw/zinc/78/37/97/880783797.db2.gz FHRZQJGJLCILDF-NQIIRXRSSA-N 2 1 395.576 3.573 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000531960566 880824301 /nfs/dbraw/zinc/82/43/01/880824301.db2.gz CQULOLXDBNRLRH-XBMUEBEBSA-N 2 1 388.474 3.522 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000531960566 880824315 /nfs/dbraw/zinc/82/43/15/880824315.db2.gz CQULOLXDBNRLRH-XBMUEBEBSA-N 2 1 388.474 3.522 20 0 GHADMP Brc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000186611713 880933838 /nfs/dbraw/zinc/93/38/38/880933838.db2.gz KBELIGOYHUIIGZ-AWEZNQCLSA-N 2 1 380.355 3.907 20 0 GHADMP Brc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000186611713 880933848 /nfs/dbraw/zinc/93/38/48/880933848.db2.gz KBELIGOYHUIIGZ-AWEZNQCLSA-N 2 1 380.355 3.907 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000132327913 881088091 /nfs/dbraw/zinc/08/80/91/881088091.db2.gz CCRPCKUWKGKWLI-HXUWFJFHSA-N 3 1 381.564 3.942 20 0 GHADMP C[NH+](C)C1CCC([N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001168329944 881111614 /nfs/dbraw/zinc/11/16/14/881111614.db2.gz LKRZMWDYSXIWIA-LMDPOFIKSA-N 2 1 379.589 3.971 20 0 GHADMP CN(C)C(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000499150326 881305200 /nfs/dbraw/zinc/30/52/00/881305200.db2.gz WGHXJNFFBKRAIR-UEQSERJNSA-N 2 1 391.559 3.991 20 0 GHADMP CN(C)C(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499150326 881305222 /nfs/dbraw/zinc/30/52/22/881305222.db2.gz WGHXJNFFBKRAIR-UEQSERJNSA-N 2 1 391.559 3.991 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000134942472 883127813 /nfs/dbraw/zinc/12/78/13/883127813.db2.gz ACZYNNPJGCMGQR-KUHUBIRLSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000134942472 883127817 /nfs/dbraw/zinc/12/78/17/883127817.db2.gz ACZYNNPJGCMGQR-KUHUBIRLSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000134942472 883127821 /nfs/dbraw/zinc/12/78/21/883127821.db2.gz ACZYNNPJGCMGQR-KUHUBIRLSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000134942472 883127823 /nfs/dbraw/zinc/12/78/23/883127823.db2.gz ACZYNNPJGCMGQR-KUHUBIRLSA-N 2 1 379.907 3.756 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134961 883191335 /nfs/dbraw/zinc/19/13/35/883191335.db2.gz RUGMDCMQXYTZQT-UNMCSNQZSA-N 3 1 381.564 3.800 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134961 883191339 /nfs/dbraw/zinc/19/13/39/883191339.db2.gz RUGMDCMQXYTZQT-UNMCSNQZSA-N 2 1 381.564 3.800 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000195139764 883192230 /nfs/dbraw/zinc/19/22/30/883192230.db2.gz NQEFVLZTUZIAFH-PKOBYXMFSA-N 2 1 384.520 3.885 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)c1ccccc1 ZINC001129932834 883325061 /nfs/dbraw/zinc/32/50/61/883325061.db2.gz JHIZFFGVXIFIKK-SGNDLWITSA-N 2 1 391.559 3.802 20 0 GHADMP C[N@@H+](CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000195544034 883419721 /nfs/dbraw/zinc/41/97/21/883419721.db2.gz QRUKNDBLOCFPHW-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193676523 883421385 /nfs/dbraw/zinc/42/13/85/883421385.db2.gz ZEZNZQXAVRCGRN-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000476965218 883486289 /nfs/dbraw/zinc/48/62/89/883486289.db2.gz UXUFDMVINCEQBC-UHFFFAOYSA-N 2 1 398.551 3.539 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000648452067 883523196 /nfs/dbraw/zinc/52/31/96/883523196.db2.gz DQLFPDGMLMAFQE-KBXCAEBGSA-N 2 1 397.332 3.809 20 0 GHADMP Cc1csc([C@H]2CC[N@H+](Cc3ccc(C[NH+](C)C)c4c3OC(F)(F)O4)C2)n1 ZINC001183671358 912718244 /nfs/dbraw/zinc/71/82/44/912718244.db2.gz HFMWFBMHGIYFTP-HNNXBMFYSA-N 2 1 395.475 3.824 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000774660842 912720386 /nfs/dbraw/zinc/72/03/86/912720386.db2.gz RHQBEAQINJOOIV-JOCHJYFZSA-N 2 1 394.003 3.502 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774660842 912720399 /nfs/dbraw/zinc/72/03/99/912720399.db2.gz RHQBEAQINJOOIV-JOCHJYFZSA-N 3 1 394.003 3.502 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774660842 912720421 /nfs/dbraw/zinc/72/04/21/912720421.db2.gz RHQBEAQINJOOIV-JOCHJYFZSA-N 3 1 394.003 3.502 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170474658 883569334 /nfs/dbraw/zinc/56/93/34/883569334.db2.gz JBAVONHIYDREFO-OWZKRDHZSA-N 2 1 397.604 3.644 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194035806 883644180 /nfs/dbraw/zinc/64/41/80/883644180.db2.gz WCNAKGSMUXJAQI-KVZIAJEVSA-N 2 1 381.358 3.522 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000859213000 883665418 /nfs/dbraw/zinc/66/54/18/883665418.db2.gz DJKDNFFLOOJZQE-VWNXMTODSA-N 2 1 382.548 3.635 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC000666172137 883779498 /nfs/dbraw/zinc/77/94/98/883779498.db2.gz ICRUGMLDIRFBBL-LZQZEXGQSA-N 2 1 381.358 3.991 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1F ZINC000556234726 884187488 /nfs/dbraw/zinc/18/74/88/884187488.db2.gz YDHCAMKPVBGGEA-KRWDZBQOSA-N 2 1 387.499 3.561 20 0 GHADMP CN(C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476193022 884257363 /nfs/dbraw/zinc/25/73/63/884257363.db2.gz CYBPDEDWLHXDQR-QHCPKHFHSA-N 2 1 398.595 3.829 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000476193022 884257376 /nfs/dbraw/zinc/25/73/76/884257376.db2.gz CYBPDEDWLHXDQR-QHCPKHFHSA-N 2 1 398.595 3.829 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](C2CC2)C1 ZINC000476193022 884257389 /nfs/dbraw/zinc/25/73/89/884257389.db2.gz CYBPDEDWLHXDQR-QHCPKHFHSA-N 2 1 398.595 3.829 20 0 GHADMP Cc1cc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)cc2cc[nH]c21 ZINC001170496039 884278625 /nfs/dbraw/zinc/27/86/25/884278625.db2.gz JYLNCTGJJOONCG-WWDZGPRUSA-N 2 1 376.504 3.848 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496722 884301972 /nfs/dbraw/zinc/30/19/72/884301972.db2.gz LCHCAVMDUFBETH-JRBPQWBISA-N 2 1 379.589 3.969 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1CCCC2(CC2)C1 ZINC000897779066 884460594 /nfs/dbraw/zinc/46/05/94/884460594.db2.gz MWKGSIJMDLTTGJ-FQEVSTJZSA-N 2 1 390.616 3.547 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000666259066 884467809 /nfs/dbraw/zinc/46/78/09/884467809.db2.gz UAQCIDLQEVNOKV-YHYXMXQVSA-N 2 1 393.575 3.896 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598959 884987460 /nfs/dbraw/zinc/98/74/60/884987460.db2.gz OEDPIJXQUDBYSA-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000763433421 885103317 /nfs/dbraw/zinc/10/33/17/885103317.db2.gz RHSIVWINFWDUSS-PGRDOPGGSA-N 2 1 390.568 3.714 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000045191423 885106362 /nfs/dbraw/zinc/10/63/62/885106362.db2.gz BURONQHDSVRWNJ-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cc2)C1 ZINC000045786448 885318420 /nfs/dbraw/zinc/31/84/20/885318420.db2.gz PJZBRPHNSHZQBA-HXUWFJFHSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC000498707650 885390098 /nfs/dbraw/zinc/39/00/98/885390098.db2.gz VHRCESAUPVBUGD-SNJCGAMXSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000498707650 885390104 /nfs/dbraw/zinc/39/01/04/885390104.db2.gz VHRCESAUPVBUGD-SNJCGAMXSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000498707650 885390127 /nfs/dbraw/zinc/39/01/27/885390127.db2.gz VHRCESAUPVBUGD-SNJCGAMXSA-N 2 1 398.595 3.554 20 0 GHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CCCO2 ZINC000532442108 885455198 /nfs/dbraw/zinc/45/51/98/885455198.db2.gz LFSZWLFNMVHCEZ-PMACEKPBSA-N 2 1 385.577 3.849 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cn2)n1 ZINC000550624331 885596426 /nfs/dbraw/zinc/59/64/26/885596426.db2.gz POEOGLXRHVWASH-FGZHOGPDSA-N 2 1 375.520 3.809 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)cn2)n1 ZINC000550624331 885596441 /nfs/dbraw/zinc/59/64/41/885596441.db2.gz POEOGLXRHVWASH-FGZHOGPDSA-N 2 1 375.520 3.809 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000108561633 885746846 /nfs/dbraw/zinc/74/68/46/885746846.db2.gz UFOLFYKJFPVHGE-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000108561633 885746853 /nfs/dbraw/zinc/74/68/53/885746853.db2.gz UFOLFYKJFPVHGE-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000108561633 885746858 /nfs/dbraw/zinc/74/68/58/885746858.db2.gz UFOLFYKJFPVHGE-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000556671512 885881676 /nfs/dbraw/zinc/88/16/76/885881676.db2.gz JMRPZNAJTBAJJG-MRXNPFEDSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000556671512 885881688 /nfs/dbraw/zinc/88/16/88/885881688.db2.gz JMRPZNAJTBAJJG-MRXNPFEDSA-N 2 1 391.357 3.763 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](C3CCC([NH+](C)C)CC3)C[C@H]21 ZINC001168313592 886055690 /nfs/dbraw/zinc/05/56/90/886055690.db2.gz DVABMFQUBMVINR-WQUXRXDGSA-N 2 1 382.527 3.671 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001170550798 886295362 /nfs/dbraw/zinc/29/53/62/886295362.db2.gz HINZGJQTFOJRJE-ORZNMBHWSA-N 2 1 376.566 3.622 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001170550798 886295382 /nfs/dbraw/zinc/29/53/82/886295382.db2.gz HINZGJQTFOJRJE-ORZNMBHWSA-N 2 1 376.566 3.622 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001170550798 886295402 /nfs/dbraw/zinc/29/54/02/886295402.db2.gz HINZGJQTFOJRJE-ORZNMBHWSA-N 2 1 376.566 3.622 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000648787423 886313706 /nfs/dbraw/zinc/31/37/06/886313706.db2.gz OQBHPCKGODTZAA-AWEZNQCLSA-N 2 1 378.904 3.629 20 0 GHADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)Cc2cn(CC3CCCC3)nc21 ZINC001168321450 886384879 /nfs/dbraw/zinc/38/48/79/886384879.db2.gz HLARGTHFZKJAIO-HWELCPFYSA-N 2 1 388.600 3.882 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C1CCC1)C1CCC1 ZINC000556919240 886730167 /nfs/dbraw/zinc/73/01/67/886730167.db2.gz DKTFPMUHYIMXAQ-UHFFFAOYSA-N 2 1 389.628 3.858 20 0 GHADMP [NH3+]CC1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCC1 ZINC000644151328 913075732 /nfs/dbraw/zinc/07/57/32/913075732.db2.gz XGCSYBYKQWPALB-UHFFFAOYSA-N 2 1 384.351 3.593 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000236931781 886896957 /nfs/dbraw/zinc/89/69/57/886896957.db2.gz FTFJFABILIWEJR-IBGZPJMESA-N 2 1 381.520 3.769 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000236931781 886896941 /nfs/dbraw/zinc/89/69/41/886896941.db2.gz FTFJFABILIWEJR-IBGZPJMESA-N 2 1 381.520 3.769 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666665091 887040226 /nfs/dbraw/zinc/04/02/26/887040226.db2.gz UFOJZMZRPVLWOV-NRFANRHFSA-N 2 1 398.595 3.699 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2c(Cl)cccc2I)CC1 ZINC001235565987 887478302 /nfs/dbraw/zinc/47/83/02/887478302.db2.gz AAGSWRSULOCIGR-UHFFFAOYSA-N 2 1 392.712 3.718 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000322929486 887670555 /nfs/dbraw/zinc/67/05/55/887670555.db2.gz NXKDAXLBFPQLPA-MQVJKMGUSA-N 2 1 397.357 3.961 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000322929486 887670559 /nfs/dbraw/zinc/67/05/59/887670559.db2.gz NXKDAXLBFPQLPA-MQVJKMGUSA-N 2 1 397.357 3.961 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000105163240 887757268 /nfs/dbraw/zinc/75/72/68/887757268.db2.gz PEOUUBBGPRMWAE-JOCHJYFZSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741099 887776514 /nfs/dbraw/zinc/77/65/14/887776514.db2.gz IOLZBUIIFKQSLS-KRWDZBQOSA-N 2 1 387.515 3.899 20 0 GHADMP O[C@H](C[NH+]1CCCC2(CCC[N@H+](C[C@@H](O)c3ccccc3)C2)C1)c1ccccc1 ZINC000810054475 888103152 /nfs/dbraw/zinc/10/31/52/888103152.db2.gz UUOSCFGOIXTWQZ-AEAWWFNXSA-N 2 1 394.559 3.632 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000810261540 888325185 /nfs/dbraw/zinc/32/51/85/888325185.db2.gz FBEMTHSXBHORAB-HAGHYFMRSA-N 2 1 397.604 3.501 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000810261540 888325199 /nfs/dbraw/zinc/32/51/99/888325199.db2.gz FBEMTHSXBHORAB-HAGHYFMRSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810279481 888377487 /nfs/dbraw/zinc/37/74/87/888377487.db2.gz XZKDEAPSAIWBDL-NRFANRHFSA-N 2 1 393.572 3.695 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810328855 888399190 /nfs/dbraw/zinc/39/91/90/888399190.db2.gz GEQONPHOGBGETP-QHCPKHFHSA-N 2 1 389.559 3.570 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810328855 888399201 /nfs/dbraw/zinc/39/92/01/888399201.db2.gz GEQONPHOGBGETP-QHCPKHFHSA-N 2 1 389.559 3.570 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810328855 888399212 /nfs/dbraw/zinc/39/92/12/888399212.db2.gz GEQONPHOGBGETP-QHCPKHFHSA-N 2 1 389.559 3.570 20 0 GHADMP OC1(C[NH2+]Cc2c(Cl)cncc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000865604908 888471103 /nfs/dbraw/zinc/47/11/03/888471103.db2.gz YTUHIVAIUFIHBN-UHFFFAOYSA-N 2 1 380.319 3.505 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137855 888650291 /nfs/dbraw/zinc/65/02/91/888650291.db2.gz SNWYGKLZWSVWCC-UYAOXDASSA-N 2 1 379.504 3.816 20 0 GHADMP CN(C(=O)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C(c1ccccc1)c1ccccc1 ZINC000532720976 888726304 /nfs/dbraw/zinc/72/63/04/888726304.db2.gz LDURHFNFOHCREH-NRFANRHFSA-N 2 1 388.515 3.837 20 0 GHADMP CN(C(=O)CN1CCC[C@H](c2ncc[nH]2)C1)C(c1ccccc1)c1ccccc1 ZINC000532720976 888726306 /nfs/dbraw/zinc/72/63/06/888726306.db2.gz LDURHFNFOHCREH-NRFANRHFSA-N 2 1 388.515 3.837 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2c(ccnc2Cl)o1 ZINC000866335564 888835784 /nfs/dbraw/zinc/83/57/84/888835784.db2.gz BLXKADCIFARPFF-WMLDXEAASA-N 2 1 385.895 3.899 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866548141 888928824 /nfs/dbraw/zinc/92/88/24/888928824.db2.gz KNPFSHSTEPNQIX-WJMWBRGCSA-N 2 1 387.568 3.790 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590499 888954466 /nfs/dbraw/zinc/95/44/66/888954466.db2.gz RRYGRDDLXAFJBZ-LJQANCHMSA-N 2 1 380.374 3.612 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000532802426 888972732 /nfs/dbraw/zinc/97/27/32/888972732.db2.gz YKIPVSWLVUGYGI-WIYYLYMNSA-N 2 1 393.510 3.797 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000465535446 889309829 /nfs/dbraw/zinc/30/98/29/889309829.db2.gz YCNVTQREOQFYAI-RTBURBONSA-N 2 1 380.602 3.647 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000454599284 889358840 /nfs/dbraw/zinc/35/88/40/889358840.db2.gz PCNJKSYBZGWIRK-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000287457687 913349665 /nfs/dbraw/zinc/34/96/65/913349665.db2.gz VGBJPFARDZSIIU-AIZNXBIQSA-N 2 1 398.595 3.685 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168515103 889507431 /nfs/dbraw/zinc/50/74/31/889507431.db2.gz QNPXSOSAOMZFSY-YHUYYLMFSA-N 2 1 393.494 3.779 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000122310099 889606291 /nfs/dbraw/zinc/60/62/91/889606291.db2.gz NFTQQVSKMHYAKY-KDURUIRLSA-N 2 1 382.552 3.766 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000122310099 889606299 /nfs/dbraw/zinc/60/62/99/889606299.db2.gz NFTQQVSKMHYAKY-KDURUIRLSA-N 2 1 382.552 3.766 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795046958 889682021 /nfs/dbraw/zinc/68/20/21/889682021.db2.gz XHEHMHOMFZYKIP-FCHUYYIVSA-N 2 1 396.535 3.609 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000533080555 889708057 /nfs/dbraw/zinc/70/80/57/889708057.db2.gz KDJWEFOYDJZDKL-NHTMILBNSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000533080555 889708066 /nfs/dbraw/zinc/70/80/66/889708066.db2.gz KDJWEFOYDJZDKL-NHTMILBNSA-N 2 1 380.532 3.949 20 0 GHADMP CCc1c[nH]c2nc[nH+]c(NCCCC[NH+]3CCN(c4cccc(C)c4)CC3)c12 ZINC001184811407 913452663 /nfs/dbraw/zinc/45/26/63/913452663.db2.gz KGIPRMAENLIXHC-UHFFFAOYSA-N 2 1 392.551 3.795 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000126786006 890713136 /nfs/dbraw/zinc/71/31/36/890713136.db2.gz WUBBWBRHCBWCLU-OXJNMPFZSA-N 2 1 392.975 3.506 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000917008833 890723490 /nfs/dbraw/zinc/72/34/90/890723490.db2.gz SLSNFJWKAKGDKH-MBSDFSHPSA-N 2 1 398.547 3.901 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000917039461 890762136 /nfs/dbraw/zinc/76/21/36/890762136.db2.gz DVOCKTGSFVJMEH-FQEVSTJZSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000917039461 890762149 /nfs/dbraw/zinc/76/21/49/890762149.db2.gz DVOCKTGSFVJMEH-FQEVSTJZSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000812762082 890912070 /nfs/dbraw/zinc/91/20/70/890912070.db2.gz RWXUXKYEWZADOF-QFIPXVFZSA-N 2 1 397.523 3.551 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000812762082 890912092 /nfs/dbraw/zinc/91/20/92/890912092.db2.gz RWXUXKYEWZADOF-QFIPXVFZSA-N 2 1 397.523 3.551 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000455450934 890943787 /nfs/dbraw/zinc/94/37/87/890943787.db2.gz YQLYPIKOZQCODE-ZEUDZUEXSA-N 2 1 398.595 3.589 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000455450934 890943793 /nfs/dbraw/zinc/94/37/93/890943793.db2.gz YQLYPIKOZQCODE-ZEUDZUEXSA-N 2 1 398.595 3.589 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000455450934 890943801 /nfs/dbraw/zinc/94/38/01/890943801.db2.gz YQLYPIKOZQCODE-ZEUDZUEXSA-N 2 1 398.595 3.589 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000812769465 890969835 /nfs/dbraw/zinc/96/98/35/890969835.db2.gz IAAXBDIHHCCLMF-UHFFFAOYSA-N 2 1 397.523 3.551 20 0 GHADMP C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000812841544 891028423 /nfs/dbraw/zinc/02/84/23/891028423.db2.gz ALAXXYHRBQWLEX-VQTJNVASSA-N 2 1 384.612 3.964 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690675 891103658 /nfs/dbraw/zinc/10/36/58/891103658.db2.gz UIDCVJMPSPOUKP-UGKGYDQZSA-N 2 1 378.507 3.645 20 0 GHADMP C[C@H]([NH2+]Cc1nc(-c2ccncc2)cs1)c1cccc(OCC[NH+](C)C)c1 ZINC000872122498 891168691 /nfs/dbraw/zinc/16/86/91/891168691.db2.gz NBTVFZBVSAECCP-INIZCTEOSA-N 2 1 382.533 3.996 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C(F)(F)F ZINC000872148184 891182475 /nfs/dbraw/zinc/18/24/75/891182475.db2.gz HYQGHDWNGOYQFO-WMZOPIPTSA-N 2 1 377.410 3.508 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C(F)(F)F ZINC000872148184 891182484 /nfs/dbraw/zinc/18/24/84/891182484.db2.gz HYQGHDWNGOYQFO-WMZOPIPTSA-N 2 1 377.410 3.508 20 0 GHADMP C[C@@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000813667586 891861623 /nfs/dbraw/zinc/86/16/23/891861623.db2.gz XAFMCQDHJONOIU-FQEVSTJZSA-N 2 1 378.605 3.549 20 0 GHADMP CC(C)n1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)cn1 ZINC001137076329 891959854 /nfs/dbraw/zinc/95/98/54/891959854.db2.gz AYYXWNPCOWTNMP-LJQANCHMSA-N 2 1 388.581 3.781 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261794677 892119676 /nfs/dbraw/zinc/11/96/76/892119676.db2.gz IMTIIVKJPXZFIW-REWPJTCUSA-N 2 1 393.531 3.559 20 0 GHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)ccn2)c1C ZINC000261947789 892173627 /nfs/dbraw/zinc/17/36/27/892173627.db2.gz NUPUBFPGKVLOBS-NJDAHSKKSA-N 2 1 381.520 3.737 20 0 GHADMP c1ccc(-c2c[nH+]ccc2N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001170719225 892173854 /nfs/dbraw/zinc/17/38/54/892173854.db2.gz XXSCTIDVMQGVPB-YHBQERECSA-N 2 1 390.575 3.921 20 0 GHADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000262001004 892193116 /nfs/dbraw/zinc/19/31/16/892193116.db2.gz PRGWHIHVCFAKRJ-UHFFFAOYSA-N 2 1 377.838 3.619 20 0 GHADMP CC[C@H](C)Oc1ccccc1/C=C\C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000729824053 892248086 /nfs/dbraw/zinc/24/80/86/892248086.db2.gz DVJZBSXACMSKCI-LPADLIQXSA-N 2 1 394.519 3.663 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262311999 892260311 /nfs/dbraw/zinc/26/03/11/892260311.db2.gz PEHAVUCQTWNICL-WUYXUBFHSA-N 2 1 383.580 3.831 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCc1ccncc1 ZINC000459390768 892274322 /nfs/dbraw/zinc/27/43/22/892274322.db2.gz NYYIAXDSNWGGLE-QGZVFWFLSA-N 2 1 381.520 3.947 20 0 GHADMP O=C1C[C@H](c2ccccc2)N1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223781 892416342 /nfs/dbraw/zinc/41/63/42/892416342.db2.gz PNFXUGRUSFUIKE-HSZRJFAPSA-N 2 1 389.543 3.906 20 0 GHADMP O=C1C[C@H](c2ccccc2)N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223781 892416347 /nfs/dbraw/zinc/41/63/47/892416347.db2.gz PNFXUGRUSFUIKE-HSZRJFAPSA-N 2 1 389.543 3.906 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547052 892494000 /nfs/dbraw/zinc/49/40/00/892494000.db2.gz SXPPYUPAFQAQLV-WOJBJXKFSA-N 2 1 392.613 3.695 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497817998 892495448 /nfs/dbraw/zinc/49/54/48/892495448.db2.gz RLGWUWXVQLTIJA-DEOSSOPVSA-N 2 1 392.547 3.925 20 0 GHADMP COCCC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000282055400 892558078 /nfs/dbraw/zinc/55/80/78/892558078.db2.gz VTONJSDRRNQVBF-QHCPKHFHSA-N 2 1 386.511 3.915 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000645112815 913685148 /nfs/dbraw/zinc/68/51/48/913685148.db2.gz RGQKJVUPTDUOOR-BJKOFHAPSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700924 892692801 /nfs/dbraw/zinc/69/28/01/892692801.db2.gz VJSDFDUOFZVVDN-SIKLNZKXSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000645127880 913695864 /nfs/dbraw/zinc/69/58/64/913695864.db2.gz CHKRVQKODROZSQ-SIKLNZKXSA-N 2 1 399.579 3.544 20 0 GHADMP COc1cccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)c1 ZINC000508708368 892775468 /nfs/dbraw/zinc/77/54/68/892775468.db2.gz BNYJFKOSRJRGAJ-KWOQKUFVSA-N 2 1 381.564 3.798 20 0 GHADMP COc1cccc([C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000508708368 892775479 /nfs/dbraw/zinc/77/54/79/892775479.db2.gz BNYJFKOSRJRGAJ-KWOQKUFVSA-N 2 1 381.564 3.798 20 0 GHADMP COc1cccc([C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000508708368 892775486 /nfs/dbraw/zinc/77/54/86/892775486.db2.gz BNYJFKOSRJRGAJ-KWOQKUFVSA-N 2 1 381.564 3.798 20 0 GHADMP C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721212 892970216 /nfs/dbraw/zinc/97/02/16/892970216.db2.gz ULXSDISZBYXZNN-QPPBQGQZSA-N 2 1 388.559 3.974 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814676038 893056692 /nfs/dbraw/zinc/05/66/92/893056692.db2.gz YSCMHKAIPQAYQH-XUVXKRRUSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814676038 893056711 /nfs/dbraw/zinc/05/67/11/893056711.db2.gz YSCMHKAIPQAYQH-XUVXKRRUSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+]1CCCCC1 ZINC000918123027 893201602 /nfs/dbraw/zinc/20/16/02/893201602.db2.gz XPDWGQATXKUHGZ-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000129273669 893214235 /nfs/dbraw/zinc/21/42/35/893214235.db2.gz FATNQZLGEIPXDF-DWLFOUALSA-N 2 1 398.595 3.774 20 0 GHADMP CCOc1ccc(Cl)c(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000455754572 893215438 /nfs/dbraw/zinc/21/54/38/893215438.db2.gz AENLZHTWKHPULT-MRXNPFEDSA-N 2 1 396.963 3.619 20 0 GHADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3sc(C4CC[NH2+]CC4)nc3C)c2C1 ZINC000876743749 893310195 /nfs/dbraw/zinc/31/01/95/893310195.db2.gz IBJWKILOQHGRLB-UHFFFAOYSA-N 2 1 384.549 3.896 20 0 GHADMP CCC[N@H+]1Cc2cccc(NC(=O)c3sc(C4CC[NH2+]CC4)nc3C)c2C1 ZINC000876743749 893310212 /nfs/dbraw/zinc/31/02/12/893310212.db2.gz IBJWKILOQHGRLB-UHFFFAOYSA-N 2 1 384.549 3.896 20 0 GHADMP C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000536650504 893453939 /nfs/dbraw/zinc/45/39/39/893453939.db2.gz VOZOBNGVBYLPHR-HXUWFJFHSA-N 2 1 381.564 3.600 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000536698091 893568454 /nfs/dbraw/zinc/56/84/54/893568454.db2.gz NKSJXYCPUZAYMI-GOSISDBHSA-N 2 1 388.506 3.931 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000536698091 893568473 /nfs/dbraw/zinc/56/84/73/893568473.db2.gz NKSJXYCPUZAYMI-GOSISDBHSA-N 2 1 388.506 3.931 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000536698091 893568494 /nfs/dbraw/zinc/56/84/94/893568494.db2.gz NKSJXYCPUZAYMI-GOSISDBHSA-N 2 1 388.506 3.931 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000536698091 893568513 /nfs/dbraw/zinc/56/85/13/893568513.db2.gz NKSJXYCPUZAYMI-GOSISDBHSA-N 2 1 388.506 3.931 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524975 893726666 /nfs/dbraw/zinc/72/66/66/893726666.db2.gz XGTIEUGCKXDSPZ-PZJWPPBQSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524975 893726677 /nfs/dbraw/zinc/72/66/77/893726677.db2.gz XGTIEUGCKXDSPZ-PZJWPPBQSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524975 893726683 /nfs/dbraw/zinc/72/66/83/893726683.db2.gz XGTIEUGCKXDSPZ-PZJWPPBQSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524975 893726686 /nfs/dbraw/zinc/72/66/86/893726686.db2.gz XGTIEUGCKXDSPZ-PZJWPPBQSA-N 2 1 383.580 3.503 20 0 GHADMP COC(=O)c1nc(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1Cl ZINC000877624661 893726876 /nfs/dbraw/zinc/72/68/76/893726876.db2.gz GTNYLPDRAYHSTG-JXFKEZNVSA-N 2 1 399.922 3.979 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)ccc1Cl ZINC000877624661 893726885 /nfs/dbraw/zinc/72/68/85/893726885.db2.gz GTNYLPDRAYHSTG-JXFKEZNVSA-N 2 1 399.922 3.979 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc4nc(Cl)ccc4s3)cc2)C1 ZINC000877623920 893726987 /nfs/dbraw/zinc/72/69/87/893726987.db2.gz FEFPSCLGHBLRSL-MRXNPFEDSA-N 2 1 387.936 3.806 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000563487814 893806557 /nfs/dbraw/zinc/80/65/57/893806557.db2.gz QUVZLQGMPXSPTF-IBGZPJMESA-N 2 1 386.561 3.625 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288580201 913811706 /nfs/dbraw/zinc/81/17/06/913811706.db2.gz NSRYDYIMFJYXGQ-UHFFFAOYSA-N 2 1 393.535 3.504 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000878303841 894180117 /nfs/dbraw/zinc/18/01/17/894180117.db2.gz CSZRXOZZRXHKHQ-AZUAARDMSA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000878303841 894180129 /nfs/dbraw/zinc/18/01/29/894180129.db2.gz CSZRXOZZRXHKHQ-AZUAARDMSA-N 2 1 381.524 3.613 20 0 GHADMP CCOC(=O)c1cccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000878572894 894395642 /nfs/dbraw/zinc/39/56/42/894395642.db2.gz HBQTWWQPUBFNDC-KRWDZBQOSA-N 2 1 387.549 3.582 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573562 894397213 /nfs/dbraw/zinc/39/72/13/894397213.db2.gz LIZBFRYGWGBUDR-OALUTQOASA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573562 894397232 /nfs/dbraw/zinc/39/72/32/894397232.db2.gz LIZBFRYGWGBUDR-OALUTQOASA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573562 894397253 /nfs/dbraw/zinc/39/72/53/894397253.db2.gz LIZBFRYGWGBUDR-OALUTQOASA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574980 894399514 /nfs/dbraw/zinc/39/95/14/894399514.db2.gz YQPLPSZAEJTZMG-UXHICEINSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574980 894399532 /nfs/dbraw/zinc/39/95/32/894399532.db2.gz YQPLPSZAEJTZMG-UXHICEINSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574980 894399547 /nfs/dbraw/zinc/39/95/47/894399547.db2.gz YQPLPSZAEJTZMG-UXHICEINSA-N 2 1 392.609 3.786 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607209 894433648 /nfs/dbraw/zinc/43/36/48/894433648.db2.gz UNCJYAGGWRGTDV-UPVQGACJSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607209 894433659 /nfs/dbraw/zinc/43/36/59/894433659.db2.gz UNCJYAGGWRGTDV-UPVQGACJSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607209 894433664 /nfs/dbraw/zinc/43/36/64/894433664.db2.gz UNCJYAGGWRGTDV-UPVQGACJSA-N 2 1 384.564 3.560 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)nc1)c1ccc(Cl)cc1 ZINC000564110202 894606374 /nfs/dbraw/zinc/60/63/74/894606374.db2.gz PQYKBYRUMWDTPU-FQEVSTJZSA-N 2 1 388.943 3.610 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000564189648 894702242 /nfs/dbraw/zinc/70/22/42/894702242.db2.gz ZWOREEJYGWTARO-KKSFZXQISA-N 2 1 395.551 3.661 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293176 894716824 /nfs/dbraw/zinc/71/68/24/894716824.db2.gz XPRMVPSKVKLOPI-SJLPKXTDSA-N 2 1 379.504 3.824 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293176 894716836 /nfs/dbraw/zinc/71/68/36/894716836.db2.gz XPRMVPSKVKLOPI-SJLPKXTDSA-N 2 1 379.504 3.824 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000476046926 895044319 /nfs/dbraw/zinc/04/43/19/895044319.db2.gz ASUWYGDMYJOHFP-QPPBQGQZSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000564845355 895278488 /nfs/dbraw/zinc/27/84/88/895278488.db2.gz UHIYENYTXFMKQJ-WJNCPCKPSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000564845355 895278498 /nfs/dbraw/zinc/27/84/98/895278498.db2.gz UHIYENYTXFMKQJ-WJNCPCKPSA-N 2 1 394.559 3.678 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000564910814 895308277 /nfs/dbraw/zinc/30/82/77/895308277.db2.gz PUTLPEZORRAFNO-XMMPIXPASA-N 2 1 388.515 3.925 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000564989186 895340428 /nfs/dbraw/zinc/34/04/28/895340428.db2.gz TWGKWMYVISQRHN-CHWSQXEVSA-N 2 1 389.849 3.619 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049876 895370258 /nfs/dbraw/zinc/37/02/58/895370258.db2.gz UGDJKKRSIGHQKQ-CTNGQTDRSA-N 2 1 399.604 3.558 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000565312988 895524389 /nfs/dbraw/zinc/52/43/89/895524389.db2.gz ZMSCKXFRMPGPSA-MDKPJZGXSA-N 2 1 392.465 3.680 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)C[C@H]1c1ccccc1 ZINC000565312988 895524396 /nfs/dbraw/zinc/52/43/96/895524396.db2.gz ZMSCKXFRMPGPSA-MDKPJZGXSA-N 2 1 392.465 3.680 20 0 GHADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132889 895531953 /nfs/dbraw/zinc/53/19/53/895531953.db2.gz GYSHXFCEYQWYEZ-JQVVWYNYSA-N 2 1 383.561 3.512 20 0 GHADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132889 895531962 /nfs/dbraw/zinc/53/19/62/895531962.db2.gz GYSHXFCEYQWYEZ-JQVVWYNYSA-N 2 1 383.561 3.512 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1 ZINC000565832259 895917816 /nfs/dbraw/zinc/91/78/16/895917816.db2.gz IFGFPXDBLNKTAD-FCHUYYIVSA-N 2 1 383.511 3.625 20 0 GHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000565835665 895919315 /nfs/dbraw/zinc/91/93/15/895919315.db2.gz HKIJUNQJHIWYMH-CDNPAEQRSA-N 2 1 394.563 3.539 20 0 GHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000565835665 895919326 /nfs/dbraw/zinc/91/93/26/895919326.db2.gz HKIJUNQJHIWYMH-CDNPAEQRSA-N 2 1 394.563 3.539 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000565881692 895954835 /nfs/dbraw/zinc/95/48/35/895954835.db2.gz KQVXVTOCJFEPKY-HSZRJFAPSA-N 2 1 378.520 3.665 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000566105887 896112261 /nfs/dbraw/zinc/11/22/61/896112261.db2.gz AGJUXYYKPNDZPP-HOTGVXAUSA-N 2 1 389.367 3.977 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000818960663 896267766 /nfs/dbraw/zinc/26/77/66/896267766.db2.gz FRNQSXMCNNFAEZ-UHFFFAOYSA-N 2 1 382.552 3.711 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3ccc(F)cc3C)CC2)cs1 ZINC000819050013 896340447 /nfs/dbraw/zinc/34/04/47/896340447.db2.gz OMRFDFGQSAVKRX-HXUWFJFHSA-N 2 1 391.556 3.688 20 0 GHADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000566559993 896378864 /nfs/dbraw/zinc/37/88/64/896378864.db2.gz IEIIXQBFYOVNPF-IBGZPJMESA-N 2 1 390.597 3.823 20 0 GHADMP Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)CC2)nc(C)[nH+]1 ZINC000819137309 896394048 /nfs/dbraw/zinc/39/40/48/896394048.db2.gz ZZUHWHUSIZYKFJ-SFHVURJKSA-N 2 1 395.334 3.692 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282966 896525462 /nfs/dbraw/zinc/52/54/62/896525462.db2.gz DWHDGZPVYVAZBX-LADGPHEKSA-N 2 1 382.548 3.545 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778552861 896568615 /nfs/dbraw/zinc/56/86/15/896568615.db2.gz KSVPWXAOZKKVCN-KPLVRAHFSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778552861 896568624 /nfs/dbraw/zinc/56/86/24/896568624.db2.gz KSVPWXAOZKKVCN-KPLVRAHFSA-N 2 1 397.950 3.946 20 0 GHADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001136218670 896633873 /nfs/dbraw/zinc/63/38/73/896633873.db2.gz ZHVVAALLTJVFIV-UXHICEINSA-N 2 1 377.960 3.858 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001136218670 896633880 /nfs/dbraw/zinc/63/38/80/896633880.db2.gz ZHVVAALLTJVFIV-UXHICEINSA-N 2 1 377.960 3.858 20 0 GHADMP Clc1cccc2c1C[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCC4)n3CC1)CC2 ZINC001170927338 896721778 /nfs/dbraw/zinc/72/17/78/896721778.db2.gz CVLIXAZRSWAFMR-GOSISDBHSA-N 2 1 384.955 3.548 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239669 896997025 /nfs/dbraw/zinc/99/70/25/896997025.db2.gz XUUYVOHZVKCJID-SFHVURJKSA-N 2 1 386.565 3.542 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239669 896997038 /nfs/dbraw/zinc/99/70/38/896997038.db2.gz XUUYVOHZVKCJID-SFHVURJKSA-N 2 1 386.565 3.542 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239669 896997053 /nfs/dbraw/zinc/99/70/53/896997053.db2.gz XUUYVOHZVKCJID-SFHVURJKSA-N 2 1 386.565 3.542 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC000882891738 897079050 /nfs/dbraw/zinc/07/90/50/897079050.db2.gz DCPSMSMFTXSRHF-KRWDZBQOSA-N 2 1 384.593 3.731 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC000882891738 897079060 /nfs/dbraw/zinc/07/90/60/897079060.db2.gz DCPSMSMFTXSRHF-KRWDZBQOSA-N 2 1 384.593 3.731 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)C[N@H+](C)CCc2ccccc2)c2ccccc2)CC1 ZINC001136363401 897454432 /nfs/dbraw/zinc/45/44/32/897454432.db2.gz XFQJYKAPLBTLJD-XMMPIXPASA-N 2 1 393.575 3.750 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)c2ccccc2)CC1 ZINC001136363401 897454437 /nfs/dbraw/zinc/45/44/37/897454437.db2.gz XFQJYKAPLBTLJD-XMMPIXPASA-N 2 1 393.575 3.750 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3oc4ccccc4c3C)CC2)CC1 ZINC000568199942 897669005 /nfs/dbraw/zinc/66/90/05/897669005.db2.gz MBUFLPGMFBRZMK-UHFFFAOYSA-N 2 1 383.536 3.554 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000568765376 898087565 /nfs/dbraw/zinc/08/75/65/898087565.db2.gz ZZFMDVZPEKAASL-HSZRJFAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1O2 ZINC000568864994 898176116 /nfs/dbraw/zinc/17/61/16/898176116.db2.gz KRMXOLLTZWBFCW-KRWDZBQOSA-N 2 1 394.441 3.523 20 0 GHADMP CCc1nc(NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc(C)[nH+]1 ZINC001185968618 914233434 /nfs/dbraw/zinc/23/34/34/914233434.db2.gz JOYNGIQHRQPBDB-ROUUACIJSA-N 2 1 382.552 3.969 20 0 GHADMP O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Br)cc1)C[NH+]1CCCC1 ZINC000509516431 898315865 /nfs/dbraw/zinc/31/58/65/898315865.db2.gz OHOUYEBNXKYHMY-SFHVURJKSA-N 2 1 389.337 3.662 20 0 GHADMP CCCC1(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822452059 898381655 /nfs/dbraw/zinc/38/16/55/898381655.db2.gz VLKBGHFRCWXBLF-GOSISDBHSA-N 2 1 379.589 3.878 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000822456138 898383997 /nfs/dbraw/zinc/38/39/97/898383997.db2.gz PDGZDRGOUXDSCE-HAGHYFMRSA-N 2 1 397.604 3.501 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000570186884 899182244 /nfs/dbraw/zinc/18/22/44/899182244.db2.gz KGQYWDCCILDIAT-ICSRJNTNSA-N 2 1 386.584 3.720 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000570186883 899182335 /nfs/dbraw/zinc/18/23/35/899182335.db2.gz KGQYWDCCILDIAT-AZUAARDMSA-N 2 1 386.584 3.720 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)C1 ZINC000570215533 899200907 /nfs/dbraw/zinc/20/09/07/899200907.db2.gz IZYCIIMFIIFSTL-FPOVZHCZSA-N 2 1 385.577 3.647 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000823851570 899280224 /nfs/dbraw/zinc/28/02/24/899280224.db2.gz PLMDOWCODZGRPD-NRFANRHFSA-N 2 1 379.633 3.899 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc([C@@H]3C[NH+]4CCC[C@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365600 899284401 /nfs/dbraw/zinc/28/44/01/899284401.db2.gz MUUMUPIFEGUFKN-SIKLNZKXSA-N 2 1 382.508 3.647 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365600 899284413 /nfs/dbraw/zinc/28/44/13/899284413.db2.gz MUUMUPIFEGUFKN-SIKLNZKXSA-N 2 1 382.508 3.647 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365600 899284426 /nfs/dbraw/zinc/28/44/26/899284426.db2.gz MUUMUPIFEGUFKN-SIKLNZKXSA-N 2 1 382.508 3.647 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331985762 899318784 /nfs/dbraw/zinc/31/87/84/899318784.db2.gz VZIFYLAPYYDTBS-QZTJIDSGSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331985762 899318797 /nfs/dbraw/zinc/31/87/97/899318797.db2.gz VZIFYLAPYYDTBS-QZTJIDSGSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803900 899338829 /nfs/dbraw/zinc/33/88/29/899338829.db2.gz NGBKWXFLJDQBRK-OALUTQOASA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803900 899338839 /nfs/dbraw/zinc/33/88/39/899338839.db2.gz NGBKWXFLJDQBRK-OALUTQOASA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803900 899338854 /nfs/dbraw/zinc/33/88/54/899338854.db2.gz NGBKWXFLJDQBRK-OALUTQOASA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824532253 899662237 /nfs/dbraw/zinc/66/22/37/899662237.db2.gz TUVGBXWXQLLUSS-FCEWJHQRSA-N 2 1 394.498 3.567 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824553589 899683162 /nfs/dbraw/zinc/68/31/62/899683162.db2.gz DCRVICPEVAGYPG-KNXBSLHKSA-N 2 1 388.519 3.811 20 0 GHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540068 899700315 /nfs/dbraw/zinc/70/03/15/899700315.db2.gz RCVNEJSKAKILEG-FOUBCARRSA-N 2 1 390.535 3.674 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824546744 899703861 /nfs/dbraw/zinc/70/38/61/899703861.db2.gz KTPVPICTEHBMKE-XFQAVAEZSA-N 2 1 376.508 3.667 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824546744 899703874 /nfs/dbraw/zinc/70/38/74/899703874.db2.gz KTPVPICTEHBMKE-XFQAVAEZSA-N 2 1 376.508 3.667 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000824644992 899735222 /nfs/dbraw/zinc/73/52/22/899735222.db2.gz VXWRKMOMMTZHBZ-IRXDYDNUSA-N 2 1 393.547 3.724 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c1C ZINC001136921180 899760310 /nfs/dbraw/zinc/76/03/10/899760310.db2.gz UJDAHARDXMHZKI-OALUTQOASA-N 2 1 375.557 3.576 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c1C ZINC001136921180 899760318 /nfs/dbraw/zinc/76/03/18/899760318.db2.gz UJDAHARDXMHZKI-OALUTQOASA-N 2 1 375.557 3.576 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c1C ZINC001136921180 899760321 /nfs/dbraw/zinc/76/03/21/899760321.db2.gz UJDAHARDXMHZKI-OALUTQOASA-N 2 1 375.557 3.576 20 0 GHADMP Cc1ccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c[nH]c2c1 ZINC001136972040 899926711 /nfs/dbraw/zinc/92/67/11/899926711.db2.gz YLKJORVDIGKFSN-UHFFFAOYSA-N 2 1 377.536 3.717 20 0 GHADMP CSC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](C)CC1 ZINC000571695228 899947834 /nfs/dbraw/zinc/94/78/34/899947834.db2.gz SKAHKFUDIODXJB-FDFHNCONSA-N 3 1 387.637 3.704 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000134783187 900118291 /nfs/dbraw/zinc/11/82/91/900118291.db2.gz HCSGZBWUTFRXIO-DLBZAZTESA-N 2 1 390.572 3.797 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000573236984 900429518 /nfs/dbraw/zinc/42/95/18/900429518.db2.gz STERRIOJPFABIX-WIYYLYMNSA-N 2 1 388.577 3.647 20 0 GHADMP CC[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000573650157 900588989 /nfs/dbraw/zinc/58/89/89/900588989.db2.gz AUBZOSFAVBQSMU-SFTDATJTSA-N 2 1 381.520 3.921 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885998830 900670726 /nfs/dbraw/zinc/67/07/26/900670726.db2.gz BWKJACSFGQFOLI-NRFANRHFSA-N 2 1 384.520 3.729 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)CC1 ZINC001186315760 914466760 /nfs/dbraw/zinc/46/67/60/914466760.db2.gz CXYJNZPYRZCWII-DEOSSOPVSA-N 2 1 391.559 3.604 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)CC1 ZINC001186315760 914466768 /nfs/dbraw/zinc/46/67/68/914466768.db2.gz CXYJNZPYRZCWII-DEOSSOPVSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000844300026 900689532 /nfs/dbraw/zinc/68/95/32/900689532.db2.gz IOHCXBVHLLSOAR-DYESRHJHSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000844300026 900689537 /nfs/dbraw/zinc/68/95/37/900689537.db2.gz IOHCXBVHLLSOAR-DYESRHJHSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[NH+]1C ZINC000844300026 900689542 /nfs/dbraw/zinc/68/95/42/900689542.db2.gz IOHCXBVHLLSOAR-DYESRHJHSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[NH+]1C ZINC000844300026 900689549 /nfs/dbraw/zinc/68/95/49/900689549.db2.gz IOHCXBVHLLSOAR-DYESRHJHSA-N 2 1 387.568 3.894 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OCC(F)F ZINC000886059586 900697455 /nfs/dbraw/zinc/69/74/55/900697455.db2.gz IOQHXJMYDRHZHI-FQEVSTJZSA-N 2 1 390.474 3.577 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000574097702 900770670 /nfs/dbraw/zinc/77/06/70/900770670.db2.gz DPTYSHKOHUVGAT-QFIPXVFZSA-N 2 1 383.580 3.722 20 0 GHADMP CCOc1ccc(F)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1F ZINC001143930329 900803276 /nfs/dbraw/zinc/80/32/76/900803276.db2.gz GUZCYPOBFVTEMZ-UHFFFAOYSA-N 2 1 382.495 3.688 20 0 GHADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001171123163 900823718 /nfs/dbraw/zinc/82/37/18/900823718.db2.gz STQRRIIHKWZEPL-OAQYLSRUSA-N 2 1 398.982 3.938 20 0 GHADMP Cn1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(Br)n1 ZINC000717398248 900956482 /nfs/dbraw/zinc/95/64/82/900956482.db2.gz NCLMVNREHXAWNR-UHFFFAOYSA-N 2 1 391.357 3.527 20 0 GHADMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(Br)n1 ZINC000717398248 900956489 /nfs/dbraw/zinc/95/64/89/900956489.db2.gz NCLMVNREHXAWNR-UHFFFAOYSA-N 2 1 391.357 3.527 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)s2)cc1OC ZINC001144068249 901012727 /nfs/dbraw/zinc/01/27/27/901012727.db2.gz SXJDVCMIFSDRDM-KRWDZBQOSA-N 2 1 397.500 3.876 20 0 GHADMP COc1ccc(-c2ncc(CN3CC[C@H](Oc4ccncc4)C3)s2)cc1OC ZINC001144068249 901012741 /nfs/dbraw/zinc/01/27/41/901012741.db2.gz SXJDVCMIFSDRDM-KRWDZBQOSA-N 2 1 397.500 3.876 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844586956 901036239 /nfs/dbraw/zinc/03/62/39/901036239.db2.gz FMVNJXZEXWLQBT-SFHVURJKSA-N 2 1 392.638 3.645 20 0 GHADMP Cc1c(O)cccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001144112694 901077105 /nfs/dbraw/zinc/07/71/05/901077105.db2.gz LKAARSCMGHADSE-QFIPXVFZSA-N 2 1 380.532 3.956 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000886504204 901091613 /nfs/dbraw/zinc/09/16/13/901091613.db2.gz VNKZLDGENGRGMI-XLIONFOSSA-N 2 1 396.535 3.526 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000886504204 901091620 /nfs/dbraw/zinc/09/16/20/901091620.db2.gz VNKZLDGENGRGMI-XLIONFOSSA-N 2 1 396.535 3.526 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000886503693 901092798 /nfs/dbraw/zinc/09/27/98/901092798.db2.gz ACBYXNQTRMLEGV-PXNSSMCTSA-N 2 1 396.535 3.669 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000886526596 901124981 /nfs/dbraw/zinc/12/49/81/901124981.db2.gz OCBINPKIQKDUJH-FQEVSTJZSA-N 2 1 396.535 3.670 20 0 GHADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000646427934 914511034 /nfs/dbraw/zinc/51/10/34/914511034.db2.gz IOBUVTVCQLQMMJ-OALUTQOASA-N 2 1 397.485 3.516 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000575248812 901181267 /nfs/dbraw/zinc/18/12/67/901181267.db2.gz VIMIEWZMMQMMFS-UCBGAZFYSA-N 2 1 394.559 3.774 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000886634650 901201021 /nfs/dbraw/zinc/20/10/21/901201021.db2.gz JFAGHQZQTMFJHW-JQHSSLGASA-N 2 1 376.426 3.638 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886634650 901201036 /nfs/dbraw/zinc/20/10/36/901201036.db2.gz JFAGHQZQTMFJHW-JQHSSLGASA-N 2 1 376.426 3.638 20 0 GHADMP Cc1[nH]c(C2CC[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)[nH+]c1C ZINC000886663047 901213228 /nfs/dbraw/zinc/21/32/28/901213228.db2.gz RVQKIPKUSVDDSJ-UHFFFAOYSA-N 2 1 376.545 3.853 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126162238 902292651 /nfs/dbraw/zinc/29/26/51/902292651.db2.gz VFRKRYLJVBXXRF-JBYIUTFZSA-N 2 1 375.520 3.753 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ncn3ccccc13)CC2 ZINC001144618102 902510425 /nfs/dbraw/zinc/51/04/25/902510425.db2.gz GDFYEEJOLSRCEK-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP COc1nccc(CN[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000577261113 902626875 /nfs/dbraw/zinc/62/68/75/902626875.db2.gz QTUJJZDFKRXYKH-FOUFQHLJSA-N 2 1 386.927 3.842 20 0 GHADMP COc1nccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000577261113 902626880 /nfs/dbraw/zinc/62/68/80/902626880.db2.gz QTUJJZDFKRXYKH-FOUFQHLJSA-N 2 1 386.927 3.842 20 0 GHADMP COc1nccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000577261113 902626884 /nfs/dbraw/zinc/62/68/84/902626884.db2.gz QTUJJZDFKRXYKH-FOUFQHLJSA-N 2 1 386.927 3.842 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577489590 902816536 /nfs/dbraw/zinc/81/65/36/902816536.db2.gz YHGPIWBOUYRISO-OXJNMPFZSA-N 2 1 395.950 3.887 20 0 GHADMP C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000600854634 903008449 /nfs/dbraw/zinc/00/84/49/903008449.db2.gz OPZYTMKJPKZRLO-QHAWAJNXSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000600854634 903008462 /nfs/dbraw/zinc/00/84/62/903008462.db2.gz OPZYTMKJPKZRLO-QHAWAJNXSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000600854634 903008472 /nfs/dbraw/zinc/00/84/72/903008472.db2.gz OPZYTMKJPKZRLO-QHAWAJNXSA-N 2 1 388.600 3.564 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000779021887 903036490 /nfs/dbraw/zinc/03/64/90/903036490.db2.gz ZTGYNYXTUWVQOO-RTWAWAEBSA-N 2 1 398.551 3.964 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCC[C@H]3c3ccncc3)CC2)CC1 ZINC000577767288 903165814 /nfs/dbraw/zinc/16/58/14/903165814.db2.gz XRNQJNOXTVSVPK-QHCPKHFHSA-N 2 1 398.595 3.722 20 0 GHADMP CCC(CC)(CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000601145344 903389148 /nfs/dbraw/zinc/38/91/48/903389148.db2.gz OFOUZZZUPJIHHN-PMACEKPBSA-N 2 1 388.600 3.926 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000601236725 903494489 /nfs/dbraw/zinc/49/44/89/903494489.db2.gz STIWGHPMYNBPJF-DENIHFKCSA-N 2 1 386.584 3.733 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C3(C2)CCOCC3)cc1 ZINC000578148469 903560624 /nfs/dbraw/zinc/56/06/24/903560624.db2.gz LIQVISAGMFHRHZ-GOTSBHOMSA-N 2 1 398.591 3.854 20 0 GHADMP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000578244542 903648329 /nfs/dbraw/zinc/64/83/29/903648329.db2.gz XORHERFIQGKGAR-FQEVSTJZSA-N 2 1 385.939 3.626 20 0 GHADMP [NH3+]CCc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000578244542 903648335 /nfs/dbraw/zinc/64/83/35/903648335.db2.gz XORHERFIQGKGAR-FQEVSTJZSA-N 2 1 385.939 3.626 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC([NH3+])(Cc3cccnc3)CC1)CC2 ZINC001171306812 903800321 /nfs/dbraw/zinc/80/03/21/903800321.db2.gz ONKXGAUMGMZDJK-QGZVFWFLSA-N 2 1 385.939 3.637 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561880 903963130 /nfs/dbraw/zinc/96/31/30/903963130.db2.gz VXBIGUOARINALC-FPOVZHCZSA-N 2 1 390.535 3.615 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000646681350 914770491 /nfs/dbraw/zinc/77/04/91/914770491.db2.gz UXTCHFULHFRWKD-QGZVFWFLSA-N 2 1 382.552 3.540 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000646681350 914770506 /nfs/dbraw/zinc/77/05/06/914770506.db2.gz UXTCHFULHFRWKD-QGZVFWFLSA-N 2 1 382.552 3.540 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000646681350 914770522 /nfs/dbraw/zinc/77/05/22/914770522.db2.gz UXTCHFULHFRWKD-QGZVFWFLSA-N 2 1 382.552 3.540 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000646681350 914770536 /nfs/dbraw/zinc/77/05/36/914770536.db2.gz UXTCHFULHFRWKD-QGZVFWFLSA-N 2 1 382.552 3.540 20 0 GHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000578752938 904100146 /nfs/dbraw/zinc/10/01/46/904100146.db2.gz BTBBYQBHBXBMRT-GCJKJVERSA-N 2 1 378.520 3.944 20 0 GHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000578752938 904100154 /nfs/dbraw/zinc/10/01/54/904100154.db2.gz BTBBYQBHBXBMRT-GCJKJVERSA-N 2 1 378.520 3.944 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[NH+](CC)CC)cc1 ZINC000579187804 904409242 /nfs/dbraw/zinc/40/92/42/904409242.db2.gz LZXPDAOIXFBBSA-IRLDBZIGSA-N 2 1 388.600 3.661 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000773127810 904459405 /nfs/dbraw/zinc/45/94/05/904459405.db2.gz BUPRCAIJENMANU-JRGCBEDISA-N 2 1 387.568 3.790 20 0 GHADMP CC(C)c1[nH+]c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c2ccccn21 ZINC000579361880 904540754 /nfs/dbraw/zinc/54/07/54/904540754.db2.gz IPKIXVJTCMFIRS-UHFFFAOYSA-N 2 1 398.473 3.544 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000579409263 904574891 /nfs/dbraw/zinc/57/48/91/904574891.db2.gz KBIXOQWHVCGAKP-XYPWUTKMSA-N 2 1 397.357 3.913 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000579409263 904574898 /nfs/dbraw/zinc/57/48/98/904574898.db2.gz KBIXOQWHVCGAKP-XYPWUTKMSA-N 2 1 397.357 3.913 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000579409263 904574905 /nfs/dbraw/zinc/57/49/05/904574905.db2.gz KBIXOQWHVCGAKP-XYPWUTKMSA-N 2 1 397.357 3.913 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000579409263 904574912 /nfs/dbraw/zinc/57/49/12/904574912.db2.gz KBIXOQWHVCGAKP-XYPWUTKMSA-N 2 1 397.357 3.913 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCc4c(F)cccc4C2)CC3)cn1 ZINC001171431869 904599428 /nfs/dbraw/zinc/59/94/28/904599428.db2.gz SAXMNVCUCMSEMS-FQEVSTJZSA-N 2 1 382.527 3.547 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCc4c(F)cccc4C2)CC3)cn1 ZINC001171431869 904599435 /nfs/dbraw/zinc/59/94/35/904599435.db2.gz SAXMNVCUCMSEMS-FQEVSTJZSA-N 2 1 382.527 3.547 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]21 ZINC000579474136 904634012 /nfs/dbraw/zinc/63/40/12/904634012.db2.gz GEZSNHIWAZMWGF-XOKHGSTOSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]21 ZINC000579474136 904634021 /nfs/dbraw/zinc/63/40/21/904634021.db2.gz GEZSNHIWAZMWGF-XOKHGSTOSA-N 2 1 376.298 3.663 20 0 GHADMP Cc1cccc2c1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1)C2 ZINC001171557280 904828201 /nfs/dbraw/zinc/82/82/01/904828201.db2.gz SSMIOOYBRQOZOI-GMAHTHKFSA-N 2 1 380.532 3.683 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CC(C)(C)[NH+](C)C(C)(C)C2)c2ccccc12 ZINC001171621469 904886567 /nfs/dbraw/zinc/88/65/67/904886567.db2.gz LMKKQRUIHSESRY-IBGZPJMESA-N 2 1 385.552 3.898 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)CC1(C)C ZINC001171634782 904921287 /nfs/dbraw/zinc/92/12/87/904921287.db2.gz GPRSUYPAQFJTKL-QHCPKHFHSA-N 2 1 387.543 3.906 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CC1(C)C ZINC001171638037 904926324 /nfs/dbraw/zinc/92/63/24/904926324.db2.gz PXCSJAVFYLZIAR-AUSIDOKSSA-N 2 1 378.601 3.793 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC001171714744 904942264 /nfs/dbraw/zinc/94/22/64/904942264.db2.gz UJPYEBHZNPBXDO-KPLVRAHFSA-N 2 1 383.511 3.646 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC001171714744 904942282 /nfs/dbraw/zinc/94/22/82/904942282.db2.gz UJPYEBHZNPBXDO-KPLVRAHFSA-N 2 1 383.511 3.646 20 0 GHADMP COc1ccc(C[NH+]2CCC(N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171726587 904952067 /nfs/dbraw/zinc/95/20/67/904952067.db2.gz YLOQBPKZYOCQHK-HYBUGGRVSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(C[NH+]2CCC(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171726587 904952081 /nfs/dbraw/zinc/95/20/81/904952081.db2.gz YLOQBPKZYOCQHK-HYBUGGRVSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000646805499 914859088 /nfs/dbraw/zinc/85/90/88/914859088.db2.gz JOWPRHDSLCNTQX-RTBURBONSA-N 2 1 395.547 3.890 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC001171752077 904981611 /nfs/dbraw/zinc/98/16/11/904981611.db2.gz PNDJRXIJCUWZSK-QOFIPBISSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC001171752077 904981623 /nfs/dbraw/zinc/98/16/23/904981623.db2.gz PNDJRXIJCUWZSK-QOFIPBISSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)o1 ZINC001171752077 904981635 /nfs/dbraw/zinc/98/16/35/904981635.db2.gz PNDJRXIJCUWZSK-QOFIPBISSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)o1 ZINC001171752077 904981643 /nfs/dbraw/zinc/98/16/43/904981643.db2.gz PNDJRXIJCUWZSK-QOFIPBISSA-N 2 1 379.548 3.900 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825035 905040778 /nfs/dbraw/zinc/04/07/78/905040778.db2.gz LHJPOVUPTZSTIG-MDPIYQRISA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825035 905040796 /nfs/dbraw/zinc/04/07/96/905040796.db2.gz LHJPOVUPTZSTIG-MDPIYQRISA-N 2 1 379.589 3.971 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]21 ZINC001171801016 905060860 /nfs/dbraw/zinc/06/08/60/905060860.db2.gz GAKOKEVSOBGEOV-WHOZBFMKSA-N 2 1 379.523 3.920 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]21 ZINC001171801016 905060879 /nfs/dbraw/zinc/06/08/79/905060879.db2.gz GAKOKEVSOBGEOV-WHOZBFMKSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]21 ZINC001171801016 905060899 /nfs/dbraw/zinc/06/08/99/905060899.db2.gz GAKOKEVSOBGEOV-WHOZBFMKSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@@H]21 ZINC001171801016 905060916 /nfs/dbraw/zinc/06/09/16/905060916.db2.gz GAKOKEVSOBGEOV-WHOZBFMKSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000796345085 914876010 /nfs/dbraw/zinc/87/60/10/914876010.db2.gz ZTPBXKMIIGKVJK-HLAWJBBLSA-N 2 1 384.593 3.595 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000796345085 914876030 /nfs/dbraw/zinc/87/60/30/914876030.db2.gz ZTPBXKMIIGKVJK-HLAWJBBLSA-N 2 1 384.593 3.595 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171928644 905183164 /nfs/dbraw/zinc/18/31/64/905183164.db2.gz OKPTZGAVEVGDDC-KJMNDRGOSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171928644 905183173 /nfs/dbraw/zinc/18/31/73/905183173.db2.gz OKPTZGAVEVGDDC-KJMNDRGOSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171928644 905183179 /nfs/dbraw/zinc/18/31/79/905183179.db2.gz OKPTZGAVEVGDDC-KJMNDRGOSA-N 2 1 384.564 3.951 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(OC3COC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171972658 905218931 /nfs/dbraw/zinc/21/89/31/905218931.db2.gz SDFGQAORIMUFKB-OAQYLSRUSA-N 2 1 380.532 3.997 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCCCCCN2C(=O)C=CC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171972029 905219046 /nfs/dbraw/zinc/21/90/46/905219046.db2.gz LTHFKXBIWGEWGG-OAQYLSRUSA-N 2 1 397.563 3.505 20 0 GHADMP CC1(C)C[C@@H](N[C@@H]2CC[NH+](CC3CCOCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171978153 905226779 /nfs/dbraw/zinc/22/67/79/905226779.db2.gz FYGKCXJVRQEJPM-XZOQPEGZSA-N 2 1 385.596 3.520 20 0 GHADMP CC1(C)C[C@@H](N[C@@H]2CC[N@H+](CC3CCOCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171978153 905226789 /nfs/dbraw/zinc/22/67/89/905226789.db2.gz FYGKCXJVRQEJPM-XZOQPEGZSA-N 2 1 385.596 3.520 20 0 GHADMP CC1(C)C[C@@H](N[C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171978153 905226795 /nfs/dbraw/zinc/22/67/95/905226795.db2.gz FYGKCXJVRQEJPM-XZOQPEGZSA-N 2 1 385.596 3.520 20 0 GHADMP CC1(C)C[C@@H](N2CC[NH+](CCc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980168 905233178 /nfs/dbraw/zinc/23/31/78/905233178.db2.gz DFGGRMVANVFCSQ-DEOSSOPVSA-N 2 1 392.591 3.685 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171981982 905236078 /nfs/dbraw/zinc/23/60/78/905236078.db2.gz FOHNYBMYDHSGOG-GBXCKJPGSA-N 2 1 380.532 3.690 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(Oc3ncccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987865 905251241 /nfs/dbraw/zinc/25/12/41/905251241.db2.gz KZWCASQTKKQZBG-FQEVSTJZSA-N 2 1 380.536 3.763 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987424 905251430 /nfs/dbraw/zinc/25/14/30/905251430.db2.gz VCWLDNVQNPVLES-PWRODBHTSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987424 905251440 /nfs/dbraw/zinc/25/14/40/905251440.db2.gz VCWLDNVQNPVLES-PWRODBHTSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987424 905251452 /nfs/dbraw/zinc/25/14/52/905251452.db2.gz VCWLDNVQNPVLES-PWRODBHTSA-N 2 1 399.579 3.981 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccs1 ZINC001172071842 905274891 /nfs/dbraw/zinc/27/48/91/905274891.db2.gz ZPLUWARSCGQJJU-OWZKRDHZSA-N 2 1 383.561 3.653 20 0 GHADMP CCO[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001172072755 905277535 /nfs/dbraw/zinc/27/75/35/905277535.db2.gz QBRKHWHPCYRLGC-DLFLOYDBSA-N 2 1 384.564 3.840 20 0 GHADMP CCO[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001172072755 905277551 /nfs/dbraw/zinc/27/75/51/905277551.db2.gz QBRKHWHPCYRLGC-DLFLOYDBSA-N 2 1 384.564 3.840 20 0 GHADMP CCO[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001172072755 905277563 /nfs/dbraw/zinc/27/75/63/905277563.db2.gz QBRKHWHPCYRLGC-DLFLOYDBSA-N 2 1 384.564 3.840 20 0 GHADMP CCO[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001172072755 905277575 /nfs/dbraw/zinc/27/75/75/905277575.db2.gz QBRKHWHPCYRLGC-DLFLOYDBSA-N 2 1 384.564 3.840 20 0 GHADMP COc1cccc(C[C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172072824 905278249 /nfs/dbraw/zinc/27/82/49/905278249.db2.gz NGTZKQXHFZISEY-XQUALCHDSA-N 2 1 394.559 3.774 20 0 GHADMP CN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072713 905278658 /nfs/dbraw/zinc/27/86/58/905278658.db2.gz PVDWPAPWVKUSHN-HOUBMWHVSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@]2(CC1=O)CCCC[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072713 905278673 /nfs/dbraw/zinc/27/86/73/905278673.db2.gz PVDWPAPWVKUSHN-HOUBMWHVSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@]2(CC1=O)CCCC[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072713 905278685 /nfs/dbraw/zinc/27/86/85/905278685.db2.gz PVDWPAPWVKUSHN-HOUBMWHVSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@]2(CC1=O)CCCC[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072713 905278703 /nfs/dbraw/zinc/27/87/03/905278703.db2.gz PVDWPAPWVKUSHN-HOUBMWHVSA-N 2 1 381.564 3.659 20 0 GHADMP O=C1CCC2(CCC([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)N1 ZINC001172074020 905281527 /nfs/dbraw/zinc/28/15/27/905281527.db2.gz SRGJUUOKLRMZLW-VXEKKEJVSA-N 2 1 381.564 3.753 20 0 GHADMP c1cnn(-c2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)c1 ZINC001172076595 905288614 /nfs/dbraw/zinc/28/86/14/905288614.db2.gz JMLWSNFZMFONFT-NUNAXRQHSA-N 2 1 387.531 3.943 20 0 GHADMP c1cnn(-c2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)c1 ZINC001172076595 905288626 /nfs/dbraw/zinc/28/86/26/905288626.db2.gz JMLWSNFZMFONFT-NUNAXRQHSA-N 2 1 387.531 3.943 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090954 905311621 /nfs/dbraw/zinc/31/16/21/905311621.db2.gz YGTCSROXBDKNCP-GPJHCHHRSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090954 905311651 /nfs/dbraw/zinc/31/16/51/905311651.db2.gz YGTCSROXBDKNCP-GPJHCHHRSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090954 905311688 /nfs/dbraw/zinc/31/16/88/905311688.db2.gz YGTCSROXBDKNCP-GPJHCHHRSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090954 905311703 /nfs/dbraw/zinc/31/17/03/905311703.db2.gz YGTCSROXBDKNCP-GPJHCHHRSA-N 2 1 398.595 3.744 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001172090701 905312891 /nfs/dbraw/zinc/31/28/91/905312891.db2.gz WCTJZRJCHNMSQD-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001172090701 905312904 /nfs/dbraw/zinc/31/29/04/905312904.db2.gz WCTJZRJCHNMSQD-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001172090701 905312920 /nfs/dbraw/zinc/31/29/20/905312920.db2.gz WCTJZRJCHNMSQD-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP O[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063351 905329318 /nfs/dbraw/zinc/32/93/18/905329318.db2.gz YONCUKOSRCWGBO-ZFFYZDHPSA-N 2 1 394.559 3.739 20 0 GHADMP O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066841 905330328 /nfs/dbraw/zinc/33/03/28/905330328.db2.gz NFCFSCQVYBOBNV-JLLPCOHGSA-N 2 1 395.591 3.953 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@@H]2CCN(Cc4ccccn4)C2)C3)cc1 ZINC001172068747 905338178 /nfs/dbraw/zinc/33/81/78/905338178.db2.gz XFWRQKFSXDUFPU-VPBXCIAMSA-N 2 1 390.575 3.831 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CCC(NC(=O)OC(C)(C)C)(CC1)CC3)C2 ZINC001172103159 905351282 /nfs/dbraw/zinc/35/12/82/905351282.db2.gz SYZUSAMRBQOFSC-QJBBBMGXSA-N 2 1 377.573 3.961 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C13CCC(NC(=O)OC(C)(C)C)(CC1)CC3)C2 ZINC001172103159 905351303 /nfs/dbraw/zinc/35/13/03/905351303.db2.gz SYZUSAMRBQOFSC-QJBBBMGXSA-N 2 1 377.573 3.961 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172109135 905356499 /nfs/dbraw/zinc/35/64/99/905356499.db2.gz BKQHEPSDDTZOOK-YRPNKDGESA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172109135 905356510 /nfs/dbraw/zinc/35/65/10/905356510.db2.gz BKQHEPSDDTZOOK-YRPNKDGESA-N 2 1 377.573 3.627 20 0 GHADMP Cc1nc(C[NH+]2CCCC23CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)cs1 ZINC001172119491 905376300 /nfs/dbraw/zinc/37/63/00/905376300.db2.gz VSNTWXLYTDJNOS-WKCHPHFGSA-N 2 1 388.625 3.897 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)cs1 ZINC001172119491 905376314 /nfs/dbraw/zinc/37/63/14/905376314.db2.gz VSNTWXLYTDJNOS-WKCHPHFGSA-N 2 1 388.625 3.897 20 0 GHADMP Cc1nc(C[N@@H+]2CCCC23CCN([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)cs1 ZINC001172119491 905376330 /nfs/dbraw/zinc/37/63/30/905376330.db2.gz VSNTWXLYTDJNOS-WKCHPHFGSA-N 2 1 388.625 3.897 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)c4ccccc4)C3)CC1)C2 ZINC001172119307 905376397 /nfs/dbraw/zinc/37/63/97/905376397.db2.gz UHOYDCYIVDXCHI-ZBYYUNFXSA-N 2 1 381.564 3.630 20 0 GHADMP COCCCN1CCC([NH2+][C@@H](CC2CCOCC2)c2ccccc2F)CC1 ZINC001172249016 905445398 /nfs/dbraw/zinc/44/53/98/905445398.db2.gz GDCSVBUTOXDWIP-QFIPXVFZSA-N 2 1 378.532 3.774 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H](CC2CCOCC2)c2ccccc2F)CC1 ZINC001172249016 905445406 /nfs/dbraw/zinc/44/54/06/905445406.db2.gz GDCSVBUTOXDWIP-QFIPXVFZSA-N 2 1 378.532 3.774 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001172338436 905504049 /nfs/dbraw/zinc/50/40/49/905504049.db2.gz OFOCYETZEQYFCC-RTWAWAEBSA-N 2 1 389.584 3.590 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001172601884 905661853 /nfs/dbraw/zinc/66/18/53/905661853.db2.gz HDNRVEFMOADEFY-GJZGRUSLSA-N 2 1 384.442 3.687 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176013316 905727197 /nfs/dbraw/zinc/72/71/97/905727197.db2.gz PJYDQBWORDZTME-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172667440 905751951 /nfs/dbraw/zinc/75/19/51/905751951.db2.gz QAPHWGTUNRJQJF-NRFANRHFSA-N 2 1 397.950 3.781 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172774445 905814316 /nfs/dbraw/zinc/81/43/16/905814316.db2.gz BIDHLSWZHYJJBX-XRXFAXGQSA-N 2 1 388.552 3.889 20 0 GHADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172851753 905907094 /nfs/dbraw/zinc/90/70/94/905907094.db2.gz LXHORCSFMOKQKO-CECAUBDESA-N 2 1 390.930 3.883 20 0 GHADMP C[C@@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172851753 905907107 /nfs/dbraw/zinc/90/71/07/905907107.db2.gz LXHORCSFMOKQKO-CECAUBDESA-N 2 1 390.930 3.883 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172954047 906058232 /nfs/dbraw/zinc/05/82/32/906058232.db2.gz KNILTZASEDQYIF-QWFCFKBJSA-N 2 1 390.572 3.799 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173007635 906082167 /nfs/dbraw/zinc/08/21/67/906082167.db2.gz VTMBVNHLXVDLKE-UHFFFAOYSA-N 2 1 375.532 3.627 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173060527 906130360 /nfs/dbraw/zinc/13/03/60/906130360.db2.gz ABPFCFQEOYTHGC-HKUYNNGSSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001173061993 906139006 /nfs/dbraw/zinc/13/90/06/906139006.db2.gz RVPMSBCHEAREFI-LPHOPBHVSA-N 2 1 391.531 3.864 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001173062635 906140752 /nfs/dbraw/zinc/14/07/52/906140752.db2.gz VFAIBTYZEMDOKY-QFBILLFUSA-N 2 1 391.531 3.864 20 0 GHADMP CC(C)(C)OC(=O)C1([NH2+]C2CCC(Oc3ccccc3)CC2)CCC([NH3+])CC1 ZINC001173197838 906282627 /nfs/dbraw/zinc/28/26/27/906282627.db2.gz KKFJLTOLZSSRGZ-UHFFFAOYSA-N 2 1 388.552 3.948 20 0 GHADMP CCc1ccc(C[C@H](C)[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001173246384 906334449 /nfs/dbraw/zinc/33/44/49/906334449.db2.gz NUDCNCVDGABHHN-FQEVSTJZSA-N 2 1 380.580 3.921 20 0 GHADMP CC[N@@H+]1CC[C@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC001173356632 906392487 /nfs/dbraw/zinc/39/24/87/906392487.db2.gz GQGCITZUGNLDHI-UNMCSNQZSA-N 2 1 391.515 3.521 20 0 GHADMP CC[N@H+]1CC[C@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC001173356632 906392502 /nfs/dbraw/zinc/39/25/02/906392502.db2.gz GQGCITZUGNLDHI-UNMCSNQZSA-N 2 1 391.515 3.521 20 0 GHADMP COC(=O)CCCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001173451686 906491771 /nfs/dbraw/zinc/49/17/71/906491771.db2.gz RDCRMNQKLBCKNR-QGZVFWFLSA-N 2 1 391.556 3.844 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000179955536 906643557 /nfs/dbraw/zinc/64/35/57/906643557.db2.gz REDNTEOUSLPWQV-MRXNPFEDSA-N 2 1 383.517 3.825 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([N@@H+](C3COC3)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC001173785279 906709623 /nfs/dbraw/zinc/70/96/23/906709623.db2.gz BMGWDQJLFKBGEC-NYZKWMLCSA-N 2 1 386.536 3.609 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566156 906872638 /nfs/dbraw/zinc/87/26/38/906872638.db2.gz MKGQRKVCRQUDCT-ZYHUDNBSSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566156 906872654 /nfs/dbraw/zinc/87/26/54/906872654.db2.gz MKGQRKVCRQUDCT-ZYHUDNBSSA-N 2 1 398.256 3.781 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000629653682 906931730 /nfs/dbraw/zinc/93/17/30/906931730.db2.gz FOGWSLSICRLGTO-GDBMZVCRSA-N 2 1 392.425 3.792 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000629653682 906931744 /nfs/dbraw/zinc/93/17/44/906931744.db2.gz FOGWSLSICRLGTO-GDBMZVCRSA-N 2 1 392.425 3.792 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1C(F)(F)F ZINC000629657546 906935144 /nfs/dbraw/zinc/93/51/44/906935144.db2.gz ZJBSXVWSUDMXMC-WMZOPIPTSA-N 2 1 388.437 3.985 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1C(F)(F)F ZINC000629657546 906935157 /nfs/dbraw/zinc/93/51/57/906935157.db2.gz ZJBSXVWSUDMXMC-WMZOPIPTSA-N 2 1 388.437 3.985 20 0 GHADMP C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(NC(=O)C3CC[NH2+]CC3)nc2)c1 ZINC000629702603 906969451 /nfs/dbraw/zinc/96/94/51/906969451.db2.gz QJTWPGNUCRDYEO-KRWDZBQOSA-N 2 1 378.520 3.671 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](Cn2cc(-c3cccc(C[NH+]4CCC[C@@H]4C)c3)cn2)C1 ZINC000629702781 906971297 /nfs/dbraw/zinc/97/12/97/906971297.db2.gz UWTJWLUPPPMBJQ-CVDCTZTESA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@H](Cn2cc(-c3cccc(C[N@@H+]4CCC[C@@H]4C)c3)cn2)C1 ZINC000629702781 906971311 /nfs/dbraw/zinc/97/13/11/906971311.db2.gz UWTJWLUPPPMBJQ-CVDCTZTESA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@H](Cn2cc(-c3cccc(C[N@H+]4CCC[C@@H]4C)c3)cn2)C1 ZINC000629702781 906971330 /nfs/dbraw/zinc/97/13/30/906971330.db2.gz UWTJWLUPPPMBJQ-CVDCTZTESA-N 2 1 382.552 3.644 20 0 GHADMP CN1CC[NH+](CCOc2ccc(-c3ccc(C4(C)CC[NH2+]CC4)cc3)cc2)CC1 ZINC000629705698 906973739 /nfs/dbraw/zinc/97/37/39/906973739.db2.gz NWQDSBGCZRQYML-UHFFFAOYSA-N 2 1 393.575 3.621 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000191512737 907046565 /nfs/dbraw/zinc/04/65/65/907046565.db2.gz COKZKRGFPAIOOI-KRWDZBQOSA-N 2 1 380.330 3.654 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000191512737 907046578 /nfs/dbraw/zinc/04/65/78/907046578.db2.gz COKZKRGFPAIOOI-KRWDZBQOSA-N 2 1 380.330 3.654 20 0 GHADMP C[C@@H]1CN(CC[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC001174985256 907334491 /nfs/dbraw/zinc/33/44/91/907334491.db2.gz XYRSEYVGHVVXRY-PQNGQFLHSA-N 2 1 399.623 3.718 20 0 GHADMP C[C@@H]1CN(CC[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001174985254 907334731 /nfs/dbraw/zinc/33/47/31/907334731.db2.gz XYRSEYVGHVVXRY-IMSXRSKXSA-N 2 1 399.623 3.718 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678846 907812632 /nfs/dbraw/zinc/81/26/32/907812632.db2.gz UZPZYRDLTLWIFA-CADBVGFASA-N 2 1 387.568 3.504 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678846 907812644 /nfs/dbraw/zinc/81/26/44/907812644.db2.gz UZPZYRDLTLWIFA-CADBVGFASA-N 2 1 387.568 3.504 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)c2)CCO1 ZINC000186370932 907915706 /nfs/dbraw/zinc/91/57/06/907915706.db2.gz ZPXVECCIDXNPBI-SFHVURJKSA-N 2 1 396.531 3.842 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)COC(C)(C)O4)c2)CCO1 ZINC000186370932 907915719 /nfs/dbraw/zinc/91/57/19/907915719.db2.gz ZPXVECCIDXNPBI-SFHVURJKSA-N 2 1 396.531 3.842 20 0 GHADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001176366151 908080599 /nfs/dbraw/zinc/08/05/99/908080599.db2.gz XXMNUYLQMJJWAM-PTUXOGIPSA-N 2 1 379.548 3.674 20 0 GHADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2cnc(-c3ccsc3)s2)c2ccccc2)CC1 ZINC001177638398 908684165 /nfs/dbraw/zinc/68/41/65/908684165.db2.gz YKHFENZXWJCUMA-FQEVSTJZSA-N 2 1 398.601 3.950 20 0 GHADMP [NH3+]C1(Cc2nc(Cc3ccccc3Cl)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634553842 908763777 /nfs/dbraw/zinc/76/37/77/908763777.db2.gz ITKYVNFBJAKTKX-UHFFFAOYSA-N 2 1 396.922 3.850 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)cs1 ZINC000194169318 908921613 /nfs/dbraw/zinc/92/16/13/908921613.db2.gz HAOLMBULBTVGAE-DYVFJYSZSA-N 2 1 395.366 3.928 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178591237 909114431 /nfs/dbraw/zinc/11/44/31/909114431.db2.gz PGHLZBXSQHHRNN-QHCPKHFHSA-N 2 1 391.559 3.649 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178593471 909115684 /nfs/dbraw/zinc/11/56/84/909115684.db2.gz XNQOFGWWZLKRLB-HXUWFJFHSA-N 2 1 391.559 3.556 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257709 909444051 /nfs/dbraw/zinc/44/40/51/909444051.db2.gz GGCMTLUDCQARTO-JKSUJKDBSA-N 2 1 393.494 3.544 20 0 GHADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cc(Br)c1OC(F)F ZINC000069675423 909679095 /nfs/dbraw/zinc/67/90/95/909679095.db2.gz SLMYLBIORDAEMD-UHFFFAOYSA-N 2 1 395.288 3.879 20 0 GHADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cc(Br)c1OC(F)F ZINC000069675423 909679100 /nfs/dbraw/zinc/67/91/00/909679100.db2.gz SLMYLBIORDAEMD-UHFFFAOYSA-N 2 1 395.288 3.879 20 0 GHADMP C[N@H+](CCN1CC[NH+](Cc2cc3ccncc3s2)CC1)Cc1ccccc1 ZINC001180189226 910005855 /nfs/dbraw/zinc/00/58/55/910005855.db2.gz PFHCILUQTYRJFM-UHFFFAOYSA-N 2 1 380.561 3.546 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2cc3ccncc3s2)CC1)Cc1ccccc1 ZINC001180189226 910005868 /nfs/dbraw/zinc/00/58/68/910005868.db2.gz PFHCILUQTYRJFM-UHFFFAOYSA-N 2 1 380.561 3.546 20 0 GHADMP CO[C@H](C)c1cccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000637974056 910018212 /nfs/dbraw/zinc/01/82/12/910018212.db2.gz PGABSYDCOVOQMI-GOSISDBHSA-N 2 1 381.520 3.716 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000268806981 910025661 /nfs/dbraw/zinc/02/56/61/910025661.db2.gz JPWMGDYXZNYARD-HYBUGGRVSA-N 2 1 391.559 3.809 20 0 GHADMP CC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2n1CCCCC2 ZINC000268822216 910032701 /nfs/dbraw/zinc/03/27/01/910032701.db2.gz HIEYTABIGNLMAQ-XLIONFOSSA-N 2 1 385.556 3.747 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2n1CCCCC2 ZINC000268822210 910033189 /nfs/dbraw/zinc/03/31/89/910033189.db2.gz HIEYTABIGNLMAQ-PXNSSMCTSA-N 2 1 385.556 3.747 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268871375 910052054 /nfs/dbraw/zinc/05/20/54/910052054.db2.gz IVMVBTZOQHUHSQ-SIKLNZKXSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268871375 910052072 /nfs/dbraw/zinc/05/20/72/910052072.db2.gz IVMVBTZOQHUHSQ-SIKLNZKXSA-N 2 1 395.547 3.782 20 0 GHADMP c1ccc([C@H]2C[C@@H](NCC3([NH+]4CCCCC4)CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638865259 910258285 /nfs/dbraw/zinc/25/82/85/910258285.db2.gz YQSKGRJUSKMWBK-LADGPHEKSA-N 2 1 397.607 3.979 20 0 GHADMP CCCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001180680807 910302397 /nfs/dbraw/zinc/30/23/97/910302397.db2.gz BGVGFOPYRQIWHO-GGAORHGYSA-N 2 1 383.580 3.907 20 0 GHADMP O=c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000246522692 910351780 /nfs/dbraw/zinc/35/17/80/910351780.db2.gz IWFQYXLTDLVHGL-PGRDOPGGSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000246522692 910351799 /nfs/dbraw/zinc/35/17/99/910351799.db2.gz IWFQYXLTDLVHGL-PGRDOPGGSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000246522692 910351818 /nfs/dbraw/zinc/35/18/18/910351818.db2.gz IWFQYXLTDLVHGL-PGRDOPGGSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000246522692 910351827 /nfs/dbraw/zinc/35/18/27/910351827.db2.gz IWFQYXLTDLVHGL-PGRDOPGGSA-N 2 1 378.516 3.730 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000639609524 910554587 /nfs/dbraw/zinc/55/45/87/910554587.db2.gz JAJDWKJHAUGBEL-UHFFFAOYSA-N 2 1 390.597 3.574 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000640561441 911067271 /nfs/dbraw/zinc/06/72/71/911067271.db2.gz HGWZXOCIABHXNJ-RXVVDRJESA-N 2 1 395.551 3.660 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CC1)C2)c1ccccc1 ZINC001182236583 911298788 /nfs/dbraw/zinc/29/87/88/911298788.db2.gz XWBUTRCYPSNIQE-JOCHJYFZSA-N 2 1 383.580 3.794 20 0 GHADMP CCCC[NH+](CC)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)c1ccccc1 ZINC001182236583 911298798 /nfs/dbraw/zinc/29/87/98/911298798.db2.gz XWBUTRCYPSNIQE-JOCHJYFZSA-N 2 1 383.580 3.794 20 0 GHADMP CCCC[NH+](CC)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)c1ccccc1 ZINC001182236583 911298811 /nfs/dbraw/zinc/29/88/11/911298811.db2.gz XWBUTRCYPSNIQE-JOCHJYFZSA-N 2 1 383.580 3.794 20 0 GHADMP O=C([C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)N1CC[NH+]2CCC1CC2 ZINC001182247254 911337338 /nfs/dbraw/zinc/33/73/38/911337338.db2.gz FFLRMSVPRQSTHF-HXUWFJFHSA-N 2 1 375.944 3.564 20 0 GHADMP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242845 911372350 /nfs/dbraw/zinc/37/23/50/911372350.db2.gz CXEAWHUJFYSXGR-VQTJNVASSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242845 911372364 /nfs/dbraw/zinc/37/23/64/911372364.db2.gz CXEAWHUJFYSXGR-VQTJNVASSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000774301037 911617114 /nfs/dbraw/zinc/61/71/14/911617114.db2.gz GTFFQQRCLXHJHK-BPIHKTFHSA-N 2 1 388.531 3.676 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000774301037 911617122 /nfs/dbraw/zinc/61/71/22/911617122.db2.gz GTFFQQRCLXHJHK-BPIHKTFHSA-N 2 1 388.531 3.676 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000774301037 911617128 /nfs/dbraw/zinc/61/71/28/911617128.db2.gz GTFFQQRCLXHJHK-BPIHKTFHSA-N 2 1 388.531 3.676 20 0 GHADMP [NH3+]CCN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc(F)cc1 ZINC001182939714 912169801 /nfs/dbraw/zinc/16/98/01/912169801.db2.gz RXLMZIOUMWJJFS-UHFFFAOYSA-N 2 1 391.490 3.820 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000291008970 914912391 /nfs/dbraw/zinc/91/23/91/914912391.db2.gz RPJXNSMLALFURC-QFIPXVFZSA-N 2 1 397.567 3.525 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000291008970 914912411 /nfs/dbraw/zinc/91/24/11/914912411.db2.gz RPJXNSMLALFURC-QFIPXVFZSA-N 2 1 397.567 3.525 20 0 GHADMP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000647249271 915106935 /nfs/dbraw/zinc/10/69/35/915106935.db2.gz OXWMGNSFSAKONP-HVHOJJEHSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249271 915106944 /nfs/dbraw/zinc/10/69/44/915106944.db2.gz OXWMGNSFSAKONP-HVHOJJEHSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249271 915106954 /nfs/dbraw/zinc/10/69/54/915106954.db2.gz OXWMGNSFSAKONP-HVHOJJEHSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000647344317 915164722 /nfs/dbraw/zinc/16/47/22/915164722.db2.gz NWXVZAOWSBOTTF-KWOQKUFVSA-N 3 1 381.564 3.623 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000647344317 915164727 /nfs/dbraw/zinc/16/47/27/915164727.db2.gz NWXVZAOWSBOTTF-KWOQKUFVSA-N 2 1 381.564 3.623 20 0 GHADMP c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000647479808 915290525 /nfs/dbraw/zinc/29/05/25/915290525.db2.gz VESHCQYAGXUYBK-REWPJTCUSA-N 2 1 387.531 3.898 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000647479808 915290537 /nfs/dbraw/zinc/29/05/37/915290537.db2.gz VESHCQYAGXUYBK-REWPJTCUSA-N 2 1 387.531 3.898 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2C)cc1 ZINC000647543420 915318042 /nfs/dbraw/zinc/31/80/42/915318042.db2.gz NBEHECQTERDZNX-YADHBBJMSA-N 2 1 396.579 3.768 20 0 GHADMP CC(C)CN(C(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2[N@@H+]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001187635938 915402969 /nfs/dbraw/zinc/40/29/69/915402969.db2.gz CVIPCJDUSFRZMC-PTAIDSQPSA-N 2 1 399.579 3.585 20 0 GHADMP CC(C)CN(C(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2[N@H+]1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001187635938 915402974 /nfs/dbraw/zinc/40/29/74/915402974.db2.gz CVIPCJDUSFRZMC-PTAIDSQPSA-N 2 1 399.579 3.585 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000647977209 915460615 /nfs/dbraw/zinc/46/06/15/915460615.db2.gz ZKPULEQIAOVTCP-QGZVKYPTSA-N 2 1 383.536 3.710 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647987783 915465130 /nfs/dbraw/zinc/46/51/30/915465130.db2.gz ZLHHIIBDTMPLAB-QWHCGFSZSA-N 2 1 389.849 3.619 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647987783 915465135 /nfs/dbraw/zinc/46/51/35/915465135.db2.gz ZLHHIIBDTMPLAB-QWHCGFSZSA-N 2 1 389.849 3.619 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000647986944 915465210 /nfs/dbraw/zinc/46/52/10/915465210.db2.gz ZMAXOHLYVMJKOM-LSDHHAIUSA-N 2 1 380.414 3.577 20 0 GHADMP C[N@H+](Cc1cnc(CCc2ccccc2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585973 915779991 /nfs/dbraw/zinc/77/99/91/915779991.db2.gz FDNUADGTAPUCJX-NRFANRHFSA-N 2 1 398.620 3.529 20 0 GHADMP C[N@@H+](Cc1cnc(CCc2ccccc2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585973 915780002 /nfs/dbraw/zinc/78/00/02/915780002.db2.gz FDNUADGTAPUCJX-NRFANRHFSA-N 2 1 398.620 3.529 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000292775060 915836965 /nfs/dbraw/zinc/83/69/65/915836965.db2.gz TUBFYDVZAHEFIM-IBGZPJMESA-N 2 1 395.528 3.682 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000292775060 915837000 /nfs/dbraw/zinc/83/70/00/915837000.db2.gz TUBFYDVZAHEFIM-IBGZPJMESA-N 2 1 395.528 3.682 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000648824827 915895366 /nfs/dbraw/zinc/89/53/66/915895366.db2.gz IOSQYACLGATJQE-GUDVDZBRSA-N 2 1 382.552 3.669 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000648839317 915902601 /nfs/dbraw/zinc/90/26/01/915902601.db2.gz WDSXNPLGTFLUTI-SFHLNBCPSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000648839317 915902611 /nfs/dbraw/zinc/90/26/11/915902611.db2.gz WDSXNPLGTFLUTI-SFHLNBCPSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000648844523 915906430 /nfs/dbraw/zinc/90/64/30/915906430.db2.gz IKPSENBDOADWCI-HXUWFJFHSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000648844523 915906447 /nfs/dbraw/zinc/90/64/47/915906447.db2.gz IKPSENBDOADWCI-HXUWFJFHSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000648859853 915912976 /nfs/dbraw/zinc/91/29/76/915912976.db2.gz KJIMWFVHAQPBJV-RYFAJOAYSA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000648859853 915912982 /nfs/dbraw/zinc/91/29/82/915912982.db2.gz KJIMWFVHAQPBJV-RYFAJOAYSA-N 2 1 394.563 3.814 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000649330056 916102491 /nfs/dbraw/zinc/10/24/91/916102491.db2.gz UAONDLSEMRSYSU-CZAAIQMYSA-N 2 1 385.939 3.851 20 0 GHADMP COC[C@@H]1CCCC[NH+](Cc2cncc(C[N@@H+]3CCCC[C@@H](COC)C3)c2)C1 ZINC000649449566 916172469 /nfs/dbraw/zinc/17/24/69/916172469.db2.gz CWBMVVPSFYBYBA-NHCUHLMSSA-N 2 1 389.584 3.579 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000293700240 916336069 /nfs/dbraw/zinc/33/60/69/916336069.db2.gz LJAHJLVNVNZCIP-PGFLUOATSA-N 2 1 392.609 3.612 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@H](c5cccnc5)C4)[C@H]3C2)cc1 ZINC000295119541 917151638 /nfs/dbraw/zinc/15/16/38/917151638.db2.gz XDKHGPIWRGVNKO-HTUFRPJOSA-N 2 1 377.532 3.802 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000652610253 917951216 /nfs/dbraw/zinc/95/12/16/917951216.db2.gz QUDYFCZBZGLAHE-OTWHNJEPSA-N 2 1 380.536 3.921 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000381682503 919469711 /nfs/dbraw/zinc/46/97/11/919469711.db2.gz DIDVJYWAQXNJJA-ROUUACIJSA-N 2 1 375.557 3.585 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000297686940 919608212 /nfs/dbraw/zinc/60/82/12/919608212.db2.gz XLBONZAGWAMASD-AUSIDOKSSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382041248 919718926 /nfs/dbraw/zinc/71/89/26/919718926.db2.gz INSYWPJOGMVSPQ-AZUAARDMSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000800372661 919996735 /nfs/dbraw/zinc/99/67/35/919996735.db2.gz YBZYJDFAWKNMJL-IBGZPJMESA-N 2 1 383.502 3.911 20 0 GHADMP Cn1c2ccc(F)cc2nc1C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902346339 922107133 /nfs/dbraw/zinc/10/71/33/922107133.db2.gz KEOKNHLGYXDUHZ-QGZVFWFLSA-N 2 1 376.426 3.951 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3Br)C2)C1 ZINC000903460605 923040069 /nfs/dbraw/zinc/04/00/69/923040069.db2.gz FMQQQSKUMULYFW-JGGQBBKZSA-N 2 1 387.749 3.821 20 0 GHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903740159 923242722 /nfs/dbraw/zinc/24/27/22/923242722.db2.gz SIKKHOQOGDQNFJ-WOJBJXKFSA-N 2 1 396.579 3.955 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000370149056 923907597 /nfs/dbraw/zinc/90/75/97/923907597.db2.gz DRZSTWRHAJESNR-LJQANCHMSA-N 2 1 386.584 3.824 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370705290 924267916 /nfs/dbraw/zinc/26/79/16/924267916.db2.gz FVHHSBRCGXSKHT-OAHLLOKOSA-N 2 1 383.458 3.840 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000370725624 924276343 /nfs/dbraw/zinc/27/63/43/924276343.db2.gz UNMILUXXIPRLNR-NFBKMPQASA-N 2 1 394.563 3.640 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Oc1cccnc1 ZINC000370725624 924276351 /nfs/dbraw/zinc/27/63/51/924276351.db2.gz UNMILUXXIPRLNR-NFBKMPQASA-N 2 1 394.563 3.640 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000677237584 924295411 /nfs/dbraw/zinc/29/54/11/924295411.db2.gz XTSKVZKLAVZZRS-MSOLQXFVSA-N 2 1 383.492 3.608 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000677237584 924295417 /nfs/dbraw/zinc/29/54/17/924295417.db2.gz XTSKVZKLAVZZRS-MSOLQXFVSA-N 2 1 383.492 3.608 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2c1 ZINC001137308268 924441701 /nfs/dbraw/zinc/44/17/01/924441701.db2.gz WWXFUKCXGRSSLF-UHFFFAOYSA-N 2 1 375.520 3.526 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000678297639 924713163 /nfs/dbraw/zinc/71/31/63/924713163.db2.gz NLZHZISITQNUEW-GASCZTMLSA-N 2 1 384.364 3.800 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000678297639 924713172 /nfs/dbraw/zinc/71/31/72/924713172.db2.gz NLZHZISITQNUEW-GASCZTMLSA-N 2 1 384.364 3.800 20 0 GHADMP Cc1ccc(F)cc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371856302 924914352 /nfs/dbraw/zinc/91/43/52/924914352.db2.gz QAPSZFZZOAVSQN-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927465 924975789 /nfs/dbraw/zinc/97/57/89/924975789.db2.gz JRQFYWSKUVLRBI-NZQKXSOJSA-N 2 1 395.522 3.690 20 0 GHADMP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3nc4c(s3)CCCC4)CC2)cc1 ZINC000678947405 924980497 /nfs/dbraw/zinc/98/04/97/924980497.db2.gz WCMQYGAPNVZFFO-UHFFFAOYSA-N 2 1 398.620 3.710 20 0 GHADMP CCC[NH+]1CCC(Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)CC1 ZINC000679085972 925023932 /nfs/dbraw/zinc/02/39/32/925023932.db2.gz CSVONYPAWXMBPQ-KRWDZBQOSA-N 2 1 390.547 3.925 20 0 GHADMP CC(C)N1CC[C@H](NC(=O)[C@H]2CCCCN2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679116197 925033596 /nfs/dbraw/zinc/03/35/96/925033596.db2.gz OSMYABDEUYIFHY-OTWHNJEPSA-N 2 1 381.923 3.603 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000410336860 925540391 /nfs/dbraw/zinc/54/03/91/925540391.db2.gz JYPSNCHGMRPQOA-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000410336860 925540394 /nfs/dbraw/zinc/54/03/94/925540394.db2.gz JYPSNCHGMRPQOA-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000410336860 925540397 /nfs/dbraw/zinc/54/03/97/925540397.db2.gz JYPSNCHGMRPQOA-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000410345449 925554825 /nfs/dbraw/zinc/55/48/25/925554825.db2.gz BEOQJQJVXXEEDU-REWPJTCUSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000410362952 925567687 /nfs/dbraw/zinc/56/76/87/925567687.db2.gz DUWUGCLDSHPBBQ-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000410370351 925581469 /nfs/dbraw/zinc/58/14/69/925581469.db2.gz HEMBMCOSEAYQDL-PMACEKPBSA-N 2 1 388.600 3.694 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000410393228 925602234 /nfs/dbraw/zinc/60/22/34/925602234.db2.gz OSIBKOGDNQFWGJ-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000827622317 925843650 /nfs/dbraw/zinc/84/36/50/925843650.db2.gz VGISHZWJZINICE-CTDFXDFQSA-N 2 1 394.515 3.858 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)o1 ZINC000827622317 925843656 /nfs/dbraw/zinc/84/36/56/925843656.db2.gz VGISHZWJZINICE-CTDFXDFQSA-N 2 1 394.515 3.858 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccs1 ZINC000373301486 926003991 /nfs/dbraw/zinc/00/39/91/926003991.db2.gz LEEDUFGXRZILGS-CRAIPNDOSA-N 2 1 376.595 3.846 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccs1 ZINC000373301486 926004002 /nfs/dbraw/zinc/00/40/02/926004002.db2.gz LEEDUFGXRZILGS-CRAIPNDOSA-N 2 1 376.595 3.846 20 0 GHADMP Cc1ccc([C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCCCC2)cc1 ZINC000682907712 926293478 /nfs/dbraw/zinc/29/34/78/926293478.db2.gz GSSDCYNJOAQOSN-BJKOFHAPSA-N 2 1 385.596 3.613 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[N@@H+]1C ZINC000411321761 926302680 /nfs/dbraw/zinc/30/26/80/926302680.db2.gz CNCUHNNCXMWLHP-LZNRXBQRSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[N@H+]1C ZINC000411321761 926302685 /nfs/dbraw/zinc/30/26/85/926302685.db2.gz CNCUHNNCXMWLHP-LZNRXBQRSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[NH+]1C ZINC000411321761 926302694 /nfs/dbraw/zinc/30/26/94/926302694.db2.gz CNCUHNNCXMWLHP-LZNRXBQRSA-N 2 1 385.577 3.758 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[NH+]1C ZINC000411321761 926302701 /nfs/dbraw/zinc/30/27/01/926302701.db2.gz CNCUHNNCXMWLHP-LZNRXBQRSA-N 2 1 385.577 3.758 20 0 GHADMP c1nnc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1C1CC1 ZINC000411399360 926365535 /nfs/dbraw/zinc/36/55/35/926365535.db2.gz LDQSDXWGRKVDDC-OAQYLSRUSA-N 2 1 379.552 3.979 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000411512030 926470270 /nfs/dbraw/zinc/47/02/70/926470270.db2.gz ADNJCTSKZLCDPL-HOTGVXAUSA-N 2 1 393.959 3.920 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)NCc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519326 926484553 /nfs/dbraw/zinc/48/45/53/926484553.db2.gz RVOZFPGMOHZKTR-AEFFLSMTSA-N 2 1 377.960 3.589 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000411546588 926498147 /nfs/dbraw/zinc/49/81/47/926498147.db2.gz BABXJNZKIJGFRT-FPOVZHCZSA-N 2 1 395.547 3.914 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000411549887 926511356 /nfs/dbraw/zinc/51/13/56/926511356.db2.gz IHXMEXDWZZFLMC-KKSFZXQISA-N 2 1 387.474 3.794 20 0 GHADMP c1ncc(CC[NH+]2CCCC3(CCC[N@@H+](CCc4cncs4)C3)C2)s1 ZINC000411749255 926729683 /nfs/dbraw/zinc/72/96/83/926729683.db2.gz LAQXGAOLJXNDED-UHFFFAOYSA-N 2 1 376.595 3.563 20 0 GHADMP c1ncc(CC[NH+]2CCCC3(CCC[N@H+](CCc4cncs4)C3)C2)s1 ZINC000411749255 926729690 /nfs/dbraw/zinc/72/96/90/926729690.db2.gz LAQXGAOLJXNDED-UHFFFAOYSA-N 2 1 376.595 3.563 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccc4[nH]c(=O)oc4c3)C(C)C)CC2)nc(C)[nH+]1 ZINC000374974312 927762322 /nfs/dbraw/zinc/76/23/22/927762322.db2.gz YILRYWPHWIXXPA-OAQYLSRUSA-N 2 1 395.507 3.896 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C/C1CCCCC1 ZINC000751049186 928002372 /nfs/dbraw/zinc/00/23/72/928002372.db2.gz RRJPVCSGYXBVOO-CMDGGOBGSA-N 2 1 375.601 3.778 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2Br)CC1 ZINC000751962990 928515531 /nfs/dbraw/zinc/51/55/31/928515531.db2.gz DJMOSFMTWHQIJB-LJQANCHMSA-N 2 1 383.374 3.926 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](Cc3csc4ccccc34)C2)CC1 ZINC000466939390 928525180 /nfs/dbraw/zinc/52/51/80/928525180.db2.gz JJMVRULUQAFJDQ-GOSISDBHSA-N 2 1 399.604 3.756 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000544232649 928959376 /nfs/dbraw/zinc/95/93/76/928959376.db2.gz LYNKRTQFMMMYRK-TZIWHRDSSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC[N@@H+]1C ZINC000467419210 929052236 /nfs/dbraw/zinc/05/22/36/929052236.db2.gz PPYYIXRHWFLCFC-CCKFTAQKSA-N 2 1 381.358 3.989 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC[N@H+]1C ZINC000467419210 929052242 /nfs/dbraw/zinc/05/22/42/929052242.db2.gz PPYYIXRHWFLCFC-CCKFTAQKSA-N 2 1 381.358 3.989 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000544697115 929458888 /nfs/dbraw/zinc/45/88/88/929458888.db2.gz JZNBUQMBQJRRFW-SFHVURJKSA-N 2 1 376.907 3.694 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CC4CCC5(CC4)OCCO5)CC[C@H]32)cc1 ZINC000753737023 929508269 /nfs/dbraw/zinc/50/82/69/929508269.db2.gz BFFGZPLWDOXSDN-DHIUTWEWSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@H]32)cc1 ZINC000753737023 929508275 /nfs/dbraw/zinc/50/82/75/929508275.db2.gz BFFGZPLWDOXSDN-DHIUTWEWSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@H]32)cc1 ZINC000753737023 929508283 /nfs/dbraw/zinc/50/82/83/929508283.db2.gz BFFGZPLWDOXSDN-DHIUTWEWSA-N 2 1 384.564 3.906 20 0 GHADMP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000469497985 929944021 /nfs/dbraw/zinc/94/40/21/929944021.db2.gz QOYYFUIQOBZQPR-QHCPKHFHSA-N 2 1 397.538 3.601 20 0 GHADMP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000469497985 929944032 /nfs/dbraw/zinc/94/40/32/929944032.db2.gz QOYYFUIQOBZQPR-QHCPKHFHSA-N 2 1 397.538 3.601 20 0 GHADMP CC(C)N(C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCCC1 ZINC000469786784 930161898 /nfs/dbraw/zinc/16/18/98/930161898.db2.gz KXPZEOLSUVTZNI-GZOXUSKESA-N 2 1 385.596 3.912 20 0 GHADMP CC(C)N(C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCCC1 ZINC000469786784 930161899 /nfs/dbraw/zinc/16/18/99/930161899.db2.gz KXPZEOLSUVTZNI-GZOXUSKESA-N 2 1 385.596 3.912 20 0 GHADMP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000759065119 930262396 /nfs/dbraw/zinc/26/23/96/930262396.db2.gz PZOYXSXHFPOSDX-HXUWFJFHSA-N 2 1 395.330 3.649 20 0 GHADMP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000469988460 930297718 /nfs/dbraw/zinc/29/77/18/930297718.db2.gz BBWBYQJATCSYBB-GOSISDBHSA-N 2 1 397.485 3.561 20 0 GHADMP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000469988460 930297724 /nfs/dbraw/zinc/29/77/24/930297724.db2.gz BBWBYQJATCSYBB-GOSISDBHSA-N 2 1 397.485 3.561 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000469997814 930305323 /nfs/dbraw/zinc/30/53/23/930305323.db2.gz BEWYUNIQHKGWSP-UHFFFAOYSA-N 2 1 377.273 3.872 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000759517893 930391934 /nfs/dbraw/zinc/39/19/34/930391934.db2.gz GIUHOKKLUJUYTQ-YADHBBJMSA-N 2 1 386.584 3.777 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000470295028 930515134 /nfs/dbraw/zinc/51/51/34/930515134.db2.gz CECNEBVPFQQXHK-BVSLBCMMSA-N 2 1 388.600 3.657 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000470295028 930515141 /nfs/dbraw/zinc/51/51/41/930515141.db2.gz CECNEBVPFQQXHK-BVSLBCMMSA-N 2 1 388.600 3.657 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C[C@@H]1C ZINC000470295028 930515145 /nfs/dbraw/zinc/51/51/45/930515145.db2.gz CECNEBVPFQQXHK-BVSLBCMMSA-N 2 1 388.600 3.657 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000470368822 930565836 /nfs/dbraw/zinc/56/58/36/930565836.db2.gz FXSXHNZNBJRJPA-NHCUHLMSSA-N 2 1 385.458 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000470368822 930565841 /nfs/dbraw/zinc/56/58/41/930565841.db2.gz FXSXHNZNBJRJPA-NHCUHLMSSA-N 2 1 385.458 3.522 20 0 GHADMP C[C@@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780881445 930626204 /nfs/dbraw/zinc/62/62/04/930626204.db2.gz CWBBEAGIXGZCGY-IRLDBZIGSA-N 2 1 378.564 3.761 20 0 GHADMP CN(C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470896292 931008076 /nfs/dbraw/zinc/00/80/76/931008076.db2.gz FCPNWSDJHRGKBQ-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470896292 931008083 /nfs/dbraw/zinc/00/80/83/931008083.db2.gz FCPNWSDJHRGKBQ-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470896292 931008087 /nfs/dbraw/zinc/00/80/87/931008087.db2.gz FCPNWSDJHRGKBQ-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000471090952 931144310 /nfs/dbraw/zinc/14/43/10/931144310.db2.gz OVFXYARRHWOYGN-IEBWSBKVSA-N 2 1 388.581 3.561 20 0 GHADMP CCCOc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000557342966 931358627 /nfs/dbraw/zinc/35/86/27/931358627.db2.gz RXXFHJKHVQPDMF-PMACEKPBSA-N 2 1 390.568 3.566 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nc(Br)ccc1F ZINC000924704879 931480687 /nfs/dbraw/zinc/48/06/87/931480687.db2.gz UXUJERQSPXWRMM-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H]3Cc3ccccn3)CC2)oc1C ZINC000925038860 931621190 /nfs/dbraw/zinc/62/11/90/931621190.db2.gz WMCRCPSARHETTI-UNMCSNQZSA-N 2 1 382.552 3.899 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000558102479 931840153 /nfs/dbraw/zinc/84/01/53/931840153.db2.gz DQDRWDDRIJGUMP-JOCHJYFZSA-N 2 1 387.955 3.877 20 0 GHADMP C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925888507 931939014 /nfs/dbraw/zinc/93/90/14/931939014.db2.gz VAEIPQMLVQVEOJ-AQZBRGQLSA-N 2 1 395.591 3.809 20 0 GHADMP C[N@@H+]1CCN(CC[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1(C)C ZINC000926356713 932144379 /nfs/dbraw/zinc/14/43/79/932144379.db2.gz JEZNNRJOLNGCQE-QFIPXVFZSA-N 2 1 378.520 3.533 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1(C)C ZINC000926356713 932144404 /nfs/dbraw/zinc/14/44/04/932144404.db2.gz JEZNNRJOLNGCQE-QFIPXVFZSA-N 2 1 378.520 3.533 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000558731876 932198638 /nfs/dbraw/zinc/19/86/38/932198638.db2.gz JJESJJASDGGVOE-QHCPKHFHSA-N 2 1 382.548 3.606 20 0 GHADMP Cn1nccc1[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000926538769 932221359 /nfs/dbraw/zinc/22/13/59/932221359.db2.gz ZVZWYMGCKAEAIR-JWWBYBFCSA-N 2 1 394.563 3.816 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000559566303 932735387 /nfs/dbraw/zinc/73/53/87/932735387.db2.gz FQZBFYQXZJIEHW-IFXJQAMLSA-N 2 1 386.858 3.550 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1c1ccccc1 ZINC000559766346 932843573 /nfs/dbraw/zinc/84/35/73/932843573.db2.gz CRXQLJSJDPCYHQ-JTHBVZDNSA-N 2 1 378.495 3.979 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@@H]1c1ccccc1 ZINC000559766346 932843577 /nfs/dbraw/zinc/84/35/77/932843577.db2.gz CRXQLJSJDPCYHQ-JTHBVZDNSA-N 2 1 378.495 3.979 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1 ZINC000799139303 932885745 /nfs/dbraw/zinc/88/57/45/932885745.db2.gz NVPGMDVVBSKQMW-DENIHFKCSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1 ZINC000799139303 932885750 /nfs/dbraw/zinc/88/57/50/932885750.db2.gz NVPGMDVVBSKQMW-DENIHFKCSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1 ZINC000799139303 932885769 /nfs/dbraw/zinc/88/57/69/932885769.db2.gz NVPGMDVVBSKQMW-DENIHFKCSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325582 /nfs/dbraw/zinc/32/55/82/933325582.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325595 /nfs/dbraw/zinc/32/55/95/933325595.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325611 /nfs/dbraw/zinc/32/56/11/933325611.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325624 /nfs/dbraw/zinc/32/56/24/933325624.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325636 /nfs/dbraw/zinc/32/56/36/933325636.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325650 /nfs/dbraw/zinc/32/56/50/933325650.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325661 /nfs/dbraw/zinc/32/56/61/933325661.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929427561 933417715 /nfs/dbraw/zinc/41/77/15/933417715.db2.gz IWTDZNWWOQEPBL-VURPSTOHSA-N 2 1 377.523 3.526 20 0 GHADMP C[C@]1(C[NH2+]Cc2ccccc2N2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001116914222 933825805 /nfs/dbraw/zinc/82/58/05/933825805.db2.gz TXXQZSACBWNYLH-XMMPIXPASA-N 2 1 379.548 3.525 20 0 GHADMP CC1(C)C[N@H+](Cc2noc3c2COCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931084574 934368217 /nfs/dbraw/zinc/36/82/17/934368217.db2.gz QMYJKDRGOQGXRB-HSZRJFAPSA-N 2 1 395.547 3.870 20 0 GHADMP CC1(C)C[N@@H+](Cc2noc3c2COCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931084574 934368227 /nfs/dbraw/zinc/36/82/27/934368227.db2.gz QMYJKDRGOQGXRB-HSZRJFAPSA-N 2 1 395.547 3.870 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3coc(C(C)(C)C)n3)C2)ccn1 ZINC000931092524 934373765 /nfs/dbraw/zinc/37/37/65/934373765.db2.gz CKOXDJZZMHLIDT-HXUWFJFHSA-N 2 1 386.540 3.861 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@H]2C1 ZINC001120013000 934436782 /nfs/dbraw/zinc/43/67/82/934436782.db2.gz LODDEMBKHNCNMF-XRXFAXGQSA-N 2 1 398.595 3.682 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1cccc(C(F)(F)F)c1 ZINC000561774230 934441777 /nfs/dbraw/zinc/44/17/77/934441777.db2.gz WGRLJIDVIIUSTE-ICSRJNTNSA-N 2 1 397.485 3.643 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121972936 934795858 /nfs/dbraw/zinc/79/58/58/934795858.db2.gz UVDLLMZIRMMEEG-KSEOMHKRSA-N 2 1 383.580 3.573 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]CCSCc2ccccc2)c2cccs2)CC1 ZINC000562381406 934843641 /nfs/dbraw/zinc/84/36/41/934843641.db2.gz AKMDTKGSJAKEMD-LJQANCHMSA-N 2 1 375.607 3.560 20 0 GHADMP C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)cc2Cl)CC1 ZINC000828053866 935570771 /nfs/dbraw/zinc/57/07/71/935570771.db2.gz GFALHGMKYBCXKJ-LJQANCHMSA-N 2 1 386.927 3.511 20 0 GHADMP Cc1c(Cl)cccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910522 1014572255 /nfs/dbraw/zinc/57/22/55/1014572255.db2.gz FOZHCAXPKTYWOK-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1c(Cl)cccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910522 1014572264 /nfs/dbraw/zinc/57/22/64/1014572264.db2.gz FOZHCAXPKTYWOK-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP C[C@@H](CCC1CCCC1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468511682 1015765032 /nfs/dbraw/zinc/76/50/32/1015765032.db2.gz NTBSHNNAQVQEGB-IBGZPJMESA-N 2 1 387.568 3.796 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000469793620 1016620017 /nfs/dbraw/zinc/62/00/17/1016620017.db2.gz HOVDWRKUYCJYSP-BEFAXECRSA-N 2 1 383.374 3.984 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC001220877342 1032165810 /nfs/dbraw/zinc/16/58/10/1032165810.db2.gz SAXUFORYDUOZGZ-DENIHFKCSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC001220877342 1032165816 /nfs/dbraw/zinc/16/58/16/1032165816.db2.gz SAXUFORYDUOZGZ-DENIHFKCSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC001220877342 1032165822 /nfs/dbraw/zinc/16/58/22/1032165822.db2.gz SAXUFORYDUOZGZ-DENIHFKCSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH+](C)C)cc2)C1 ZINC001220882831 1032170681 /nfs/dbraw/zinc/17/06/81/1032170681.db2.gz BNODCLOZHBAJKO-LJQANCHMSA-N 2 1 388.600 3.648 20 0 GHADMP [NH3+]Cc1ccccc1-c1ccccc1CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220919065 1032188983 /nfs/dbraw/zinc/18/89/83/1032188983.db2.gz RFWAOWOZYYMANZ-OAQYLSRUSA-N 2 1 391.559 3.878 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001221063325 1032262027 /nfs/dbraw/zinc/26/20/27/1032262027.db2.gz RVJFZDPTXBFMKG-VABKMULXSA-N 2 1 377.532 3.508 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070703 1032265679 /nfs/dbraw/zinc/26/56/79/1032265679.db2.gz ALYYWGYXAPEITG-MSOLQXFVSA-N 2 1 392.613 3.693 20 0 GHADMP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001221202112 1032327948 /nfs/dbraw/zinc/32/79/48/1032327948.db2.gz SLPDOWYDGKEXLK-FCHUYYIVSA-N 2 1 399.510 3.630 20 0 GHADMP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001221202112 1032327962 /nfs/dbraw/zinc/32/79/62/1032327962.db2.gz SLPDOWYDGKEXLK-FCHUYYIVSA-N 2 1 399.510 3.630 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c1 ZINC001154889465 1032329597 /nfs/dbraw/zinc/32/95/97/1032329597.db2.gz NTQMBRWIEQLMTM-REWPJTCUSA-N 2 1 383.580 3.825 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCCC3)[C@@H](C)C2)c1 ZINC001154889465 1032329607 /nfs/dbraw/zinc/32/96/07/1032329607.db2.gz NTQMBRWIEQLMTM-REWPJTCUSA-N 2 1 383.580 3.825 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCCC3)[C@@H](C)C2)c1 ZINC001154889465 1032329618 /nfs/dbraw/zinc/32/96/18/1032329618.db2.gz NTQMBRWIEQLMTM-REWPJTCUSA-N 2 1 383.580 3.825 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@H](C[NH3+])c1cccc(OC)c1)c1ccccc1 ZINC001221404346 1032400134 /nfs/dbraw/zinc/40/01/34/1032400134.db2.gz HOCIXFSKRCHTFV-YADHBBJMSA-N 2 1 383.536 3.675 20 0 GHADMP C[C@@]1(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001227509431 1032446827 /nfs/dbraw/zinc/44/68/27/1032446827.db2.gz DIZCFKVXNXSZJM-RZMWZJFBSA-N 2 1 398.595 3.605 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001221581310 1032469327 /nfs/dbraw/zinc/46/93/27/1032469327.db2.gz VNURGPTUSCJKHO-FGZHOGPDSA-N 2 1 386.584 3.696 20 0 GHADMP Fc1cnc(Cl)cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155363145 1032519935 /nfs/dbraw/zinc/51/99/35/1032519935.db2.gz IREONVCHJYPHLF-KRWDZBQOSA-N 2 1 388.918 3.788 20 0 GHADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001221771684 1032530651 /nfs/dbraw/zinc/53/06/51/1032530651.db2.gz SJCIDGWXTAUHOF-YLJYHZDGSA-N 2 1 394.991 3.724 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643687 1032618785 /nfs/dbraw/zinc/61/87/85/1032618785.db2.gz SGHOWRUAAYWGHT-IRLDBZIGSA-N 2 1 399.966 3.971 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001155714268 1032656947 /nfs/dbraw/zinc/65/69/47/1032656947.db2.gz YQIPKLQMWTUOQW-NRFANRHFSA-N 2 1 387.543 3.657 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001155714268 1032656953 /nfs/dbraw/zinc/65/69/53/1032656953.db2.gz YQIPKLQMWTUOQW-NRFANRHFSA-N 2 1 387.543 3.657 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC001227881907 1032666847 /nfs/dbraw/zinc/66/68/47/1032666847.db2.gz IDVLOWYDOCYQOA-HSZRJFAPSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC001227881907 1032666850 /nfs/dbraw/zinc/66/68/50/1032666850.db2.gz IDVLOWYDOCYQOA-HSZRJFAPSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)Cc1ccc([C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)C)cc1 ZINC001461006454 1069331767 /nfs/dbraw/zinc/33/17/67/1069331767.db2.gz GEAAQJYXINSYME-QHCPKHFHSA-N 2 1 395.595 3.914 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)cc1 ZINC001204271619 1032714552 /nfs/dbraw/zinc/71/45/52/1032714552.db2.gz PIRQFUGFHAFGHU-LJQANCHMSA-N 2 1 376.541 3.713 20 0 GHADMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@]2(C)C1 ZINC000933737742 1018889053 /nfs/dbraw/zinc/88/90/53/1018889053.db2.gz CGVCTBRAVOTXHH-JPYJTQIMSA-N 2 1 379.504 3.691 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)s1 ZINC000564059250 1019003646 /nfs/dbraw/zinc/00/36/46/1019003646.db2.gz KROJRMXGVVETAX-CTNGQTDRSA-N 2 1 391.625 3.847 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(SCC[NH+]3CCCCC3)cc1)C2 ZINC000564731645 1019104708 /nfs/dbraw/zinc/10/47/08/1019104708.db2.gz UIIXIPCEEVNNLO-GOSISDBHSA-N 2 1 398.576 3.971 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccc(Cl)cc1 ZINC001228157364 1032813376 /nfs/dbraw/zinc/81/33/76/1032813376.db2.gz QSNHTRLARSYPAA-IBGZPJMESA-N 2 1 382.980 3.705 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3c(C)oc4ccccc43)CC2)CC1 ZINC000566571016 1019236849 /nfs/dbraw/zinc/23/68/49/1019236849.db2.gz RNWRSKFVKIVSIC-UHFFFAOYSA-N 2 1 383.536 3.554 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000570336953 1019586910 /nfs/dbraw/zinc/58/69/10/1019586910.db2.gz LPTZIVJRMIJMMJ-HXUWFJFHSA-N 2 1 396.579 3.800 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000601236682 1020318485 /nfs/dbraw/zinc/31/84/85/1020318485.db2.gz QLIYXFZLOYRCDR-SIKLNZKXSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000578656503 1020353897 /nfs/dbraw/zinc/35/38/97/1020353897.db2.gz ZBGZCUIJZUEIGB-FQEVSTJZSA-N 2 1 398.576 3.597 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N(C)C4CC[NH2+]CC4)c23)C1 ZINC001156180498 1032914994 /nfs/dbraw/zinc/91/49/94/1032914994.db2.gz HMUZSQKLACVJCE-HNNXBMFYSA-N 2 1 399.608 3.600 20 0 GHADMP Cc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001204521803 1032947016 /nfs/dbraw/zinc/94/70/16/1032947016.db2.gz BOKVWYMKZWQDIQ-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001204521803 1032947024 /nfs/dbraw/zinc/94/70/24/1032947024.db2.gz BOKVWYMKZWQDIQ-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001204521803 1032947032 /nfs/dbraw/zinc/94/70/32/1032947032.db2.gz BOKVWYMKZWQDIQ-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000642197560 1021087245 /nfs/dbraw/zinc/08/72/45/1021087245.db2.gz BTZCMDWEVNRZNC-UHFFFAOYSA-N 3 1 393.575 3.699 20 0 GHADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000642197560 1021087254 /nfs/dbraw/zinc/08/72/54/1021087254.db2.gz BTZCMDWEVNRZNC-UHFFFAOYSA-N 3 1 393.575 3.699 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000644574076 1021110569 /nfs/dbraw/zinc/11/05/69/1021110569.db2.gz SBLCJWFAYOPJPY-HYFFOGBASA-N 2 1 399.560 3.642 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000644574076 1021110573 /nfs/dbraw/zinc/11/05/73/1021110573.db2.gz SBLCJWFAYOPJPY-HYFFOGBASA-N 2 1 399.560 3.642 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccc(C4CC[NH+](C)CC4)cc3)c2)CC1 ZINC001204537073 1032955666 /nfs/dbraw/zinc/95/56/66/1032955666.db2.gz CMMFJPFJFVDDHW-UHFFFAOYSA-N 2 1 378.564 3.987 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000646335000 1021130381 /nfs/dbraw/zinc/13/03/81/1021130381.db2.gz PWPQFQZIXUISDW-HXUWFJFHSA-N 2 1 399.579 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000834588653 1021288017 /nfs/dbraw/zinc/28/80/17/1021288017.db2.gz DLKDLMCOIOKEKM-ZRNYENFQSA-N 2 1 397.604 3.501 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@@H+]3CCC[C@@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001140269738 1021293869 /nfs/dbraw/zinc/29/38/69/1021293869.db2.gz XPCJBOUITUJHLC-QHCPKHFHSA-N 2 1 385.552 3.889 20 0 GHADMP CCOc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001140269738 1021293875 /nfs/dbraw/zinc/29/38/75/1021293875.db2.gz XPCJBOUITUJHLC-QHCPKHFHSA-N 2 1 385.552 3.889 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CCC[C@@]4(C3)COCC[N@@H+](C(C)C)C4)c2c1 ZINC001140269738 1021293883 /nfs/dbraw/zinc/29/38/83/1021293883.db2.gz XPCJBOUITUJHLC-QHCPKHFHSA-N 2 1 385.552 3.889 20 0 GHADMP CCOc1ccc2[nH]cc(C[NH+]3CCC[C@@]4(C3)COCC[N@H+](C(C)C)C4)c2c1 ZINC001140269738 1021293892 /nfs/dbraw/zinc/29/38/92/1021293892.db2.gz XPCJBOUITUJHLC-QHCPKHFHSA-N 2 1 385.552 3.889 20 0 GHADMP Nc1ncc(-c2ccccc2C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326329 1021407108 /nfs/dbraw/zinc/40/71/08/1021407108.db2.gz MMPFRNRAZMROKT-NFBKMPQASA-N 2 1 399.542 3.680 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326329 1021407112 /nfs/dbraw/zinc/40/71/12/1021407112.db2.gz MMPFRNRAZMROKT-NFBKMPQASA-N 2 1 399.542 3.680 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC001140326329 1021407117 /nfs/dbraw/zinc/40/71/17/1021407117.db2.gz MMPFRNRAZMROKT-NFBKMPQASA-N 2 1 399.542 3.680 20 0 GHADMP CC(C)(C)[N@@H+](Cc1ccccc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001204604361 1032991030 /nfs/dbraw/zinc/99/10/30/1032991030.db2.gz KSSBDKQPAYWBSJ-UHFFFAOYSA-N 2 1 377.536 3.997 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC001204594552 1032988163 /nfs/dbraw/zinc/98/81/63/1032988163.db2.gz ZDRPDFWLCGFGEN-INIZCTEOSA-N 2 1 377.529 3.882 20 0 GHADMP Brc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCCO2)cc1 ZINC000679331698 1021988439 /nfs/dbraw/zinc/98/84/39/1021988439.db2.gz MVRZKJSOQVUXOB-JVPBZIDWSA-N 2 1 379.342 3.743 20 0 GHADMP Brc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]2CCCO2)cc1 ZINC000679331698 1021988445 /nfs/dbraw/zinc/98/84/45/1021988445.db2.gz MVRZKJSOQVUXOB-JVPBZIDWSA-N 2 1 379.342 3.743 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(OC)c1O ZINC000679721189 1022042509 /nfs/dbraw/zinc/04/25/09/1022042509.db2.gz JMUGQTSVGMCUSL-NJDAHSKKSA-N 2 1 396.531 3.800 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001140617893 1022082840 /nfs/dbraw/zinc/08/28/40/1022082840.db2.gz VBFHWNZMIWOJFB-BJKOFHAPSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001140617893 1022082858 /nfs/dbraw/zinc/08/28/58/1022082858.db2.gz VBFHWNZMIWOJFB-BJKOFHAPSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001140617893 1022082874 /nfs/dbraw/zinc/08/28/74/1022082874.db2.gz VBFHWNZMIWOJFB-BJKOFHAPSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001140617893 1022082895 /nfs/dbraw/zinc/08/28/95/1022082895.db2.gz VBFHWNZMIWOJFB-BJKOFHAPSA-N 2 1 391.559 3.779 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001204938338 1033177392 /nfs/dbraw/zinc/17/73/92/1033177392.db2.gz QMZMOUZRZSEMNR-RJGXRXQPSA-N 2 1 378.516 3.864 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(-c5ncccn5)cc4)C[C@@H]3C2)c1 ZINC001141186421 1024042529 /nfs/dbraw/zinc/04/25/29/1024042529.db2.gz UOLQDZPZUZMXJT-WOJBJXKFSA-N 2 1 376.529 3.769 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831022386 1024312852 /nfs/dbraw/zinc/31/28/52/1024312852.db2.gz XSRGODJFUUQLDG-SJLPKXTDSA-N 2 1 376.545 3.739 20 0 GHADMP CCOc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(C)c1 ZINC001138433349 1024836064 /nfs/dbraw/zinc/83/60/64/1024836064.db2.gz IKLNNJFYSDXRSW-UHFFFAOYSA-N 2 1 382.552 3.634 20 0 GHADMP CN(C)c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)s1 ZINC001138487873 1024921022 /nfs/dbraw/zinc/92/10/22/1024921022.db2.gz IGUQMDLKVNMLSV-UHFFFAOYSA-N 2 1 391.606 3.743 20 0 GHADMP CN(C)c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)s1 ZINC001138487873 1024921026 /nfs/dbraw/zinc/92/10/26/1024921026.db2.gz IGUQMDLKVNMLSV-UHFFFAOYSA-N 2 1 391.606 3.743 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001138544046 1024986836 /nfs/dbraw/zinc/98/68/36/1024986836.db2.gz BIQJSTKEFWOCAP-QFIPXVFZSA-N 2 1 382.508 3.766 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001138544046 1024986838 /nfs/dbraw/zinc/98/68/38/1024986838.db2.gz BIQJSTKEFWOCAP-QFIPXVFZSA-N 2 1 382.508 3.766 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001138547959 1024994829 /nfs/dbraw/zinc/99/48/29/1024994829.db2.gz XVQNGJKWWJADCV-IBGZPJMESA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001138547959 1024994833 /nfs/dbraw/zinc/99/48/33/1024994833.db2.gz XVQNGJKWWJADCV-IBGZPJMESA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC2)C(=O)Nc2c3cccc2F)cc1 ZINC001138547786 1024995175 /nfs/dbraw/zinc/99/51/75/1024995175.db2.gz VGGDTKUOWMPIQS-UHFFFAOYSA-N 2 1 390.462 3.806 20 0 GHADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138644099 1025153847 /nfs/dbraw/zinc/15/38/47/1025153847.db2.gz IYUWTQYGTWRFNZ-VJBMBRPKSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138644099 1025153849 /nfs/dbraw/zinc/15/38/49/1025153849.db2.gz IYUWTQYGTWRFNZ-VJBMBRPKSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138644099 1025153855 /nfs/dbraw/zinc/15/38/55/1025153855.db2.gz IYUWTQYGTWRFNZ-VJBMBRPKSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138644099 1025153864 /nfs/dbraw/zinc/15/38/64/1025153864.db2.gz IYUWTQYGTWRFNZ-VJBMBRPKSA-N 2 1 381.568 3.647 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257103 1025377104 /nfs/dbraw/zinc/37/71/04/1025377104.db2.gz DBELWGBNKAKGEQ-PMACEKPBSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257103 1025377116 /nfs/dbraw/zinc/37/71/16/1025377116.db2.gz DBELWGBNKAKGEQ-PMACEKPBSA-N 2 1 390.572 3.941 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)s1 ZINC001138800515 1025386726 /nfs/dbraw/zinc/38/67/26/1025386726.db2.gz ZKTRJKZKVUMABQ-UHFFFAOYSA-N 2 1 399.608 3.872 20 0 GHADMP CC[NH+](CC)CCC[NH+]1CCC([C@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000839101025 1025599940 /nfs/dbraw/zinc/59/99/40/1025599940.db2.gz UVZVARPQYZLNDV-VQTJNVASSA-N 2 1 397.604 3.503 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)Cc2ccccc2C)c1C ZINC001141570748 1025603769 /nfs/dbraw/zinc/60/37/69/1025603769.db2.gz GDKBDNHCMYILTJ-UHFFFAOYSA-N 2 1 384.568 3.644 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1C ZINC001141572902 1025618325 /nfs/dbraw/zinc/61/83/25/1025618325.db2.gz CXHAJXVVVCJZRO-UXHICEINSA-N 2 1 388.600 3.715 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(Oc5ncccn5)cc4)C[C@H]3C2)cc1 ZINC001139080901 1025892848 /nfs/dbraw/zinc/89/28/48/1025892848.db2.gz NIVIWXZKSSCQOD-FGZHOGPDSA-N 2 1 386.499 3.833 20 0 GHADMP Fc1ccccc1Cn1ccc2c1nc[nH+]c2NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162803459 1025922995 /nfs/dbraw/zinc/92/29/95/1025922995.db2.gz WOVXLEQGTABIAT-UHFFFAOYSA-N 2 1 387.462 3.877 20 0 GHADMP Cc1nc(Cl)c(C)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162929152 1025969764 /nfs/dbraw/zinc/96/97/64/1025969764.db2.gz MGEOAHNRZHKFGP-LJQANCHMSA-N 2 1 399.970 3.661 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cncc(C4CC4)c3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940421 1025976555 /nfs/dbraw/zinc/97/65/55/1025976555.db2.gz DGGIIIGYBLSMES-QFIPXVFZSA-N 2 1 376.548 3.873 20 0 GHADMP COc1c(C)cccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940601 1025977517 /nfs/dbraw/zinc/97/75/17/1025977517.db2.gz IDWHAMFKBLFIKT-OAQYLSRUSA-N 2 1 379.548 3.917 20 0 GHADMP O=C(Nc1ccccc1)Nc1cc[nH+]c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163049332 1026024747 /nfs/dbraw/zinc/02/47/47/1026024747.db2.gz DNPPUFWHILCNRX-KRWDZBQOSA-N 2 1 390.491 3.749 20 0 GHADMP Cc1cccc2[nH]cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001139197221 1026040641 /nfs/dbraw/zinc/04/06/41/1026040641.db2.gz JHZOIGSNJFFKHC-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cccc2[nH]cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001139197221 1026040656 /nfs/dbraw/zinc/04/06/56/1026040656.db2.gz JHZOIGSNJFFKHC-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cccc2[nH]cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001139197221 1026040677 /nfs/dbraw/zinc/04/06/77/1026040677.db2.gz JHZOIGSNJFFKHC-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139326069 1026184503 /nfs/dbraw/zinc/18/45/03/1026184503.db2.gz MDIXOQMPQPZTQZ-UHFFFAOYSA-N 2 1 398.498 3.588 20 0 GHADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139326069 1026184507 /nfs/dbraw/zinc/18/45/07/1026184507.db2.gz MDIXOQMPQPZTQZ-UHFFFAOYSA-N 2 1 398.498 3.588 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001139335311 1026196482 /nfs/dbraw/zinc/19/64/82/1026196482.db2.gz LSEYLXXUHFVLOU-UPVQGACJSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001139335311 1026196490 /nfs/dbraw/zinc/19/64/90/1026196490.db2.gz LSEYLXXUHFVLOU-UPVQGACJSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001139335311 1026196494 /nfs/dbraw/zinc/19/64/94/1026196494.db2.gz LSEYLXXUHFVLOU-UPVQGACJSA-N 2 1 380.532 3.726 20 0 GHADMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001139455650 1026320594 /nfs/dbraw/zinc/32/05/94/1026320594.db2.gz RYNFJBVTJGWSNV-CEWLAPEOSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001139455650 1026320606 /nfs/dbraw/zinc/32/06/06/1026320606.db2.gz RYNFJBVTJGWSNV-CEWLAPEOSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001139455650 1026320619 /nfs/dbraw/zinc/32/06/19/1026320619.db2.gz RYNFJBVTJGWSNV-CEWLAPEOSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001139455650 1026320631 /nfs/dbraw/zinc/32/06/31/1026320631.db2.gz RYNFJBVTJGWSNV-CEWLAPEOSA-N 2 1 384.593 3.942 20 0 GHADMP Cc1cnc(Cl)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001139588801 1026452490 /nfs/dbraw/zinc/45/24/90/1026452490.db2.gz WLTFZGWTGIDWDG-GOSISDBHSA-N 2 1 389.927 3.892 20 0 GHADMP CCOc1ccncc1CN1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139629199 1026495516 /nfs/dbraw/zinc/49/55/16/1026495516.db2.gz BXGPUZQMZSUKPH-BWAGFHJFSA-N 2 1 380.536 3.608 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139642922 1026504091 /nfs/dbraw/zinc/50/40/91/1026504091.db2.gz LCNUTPWWFURQOQ-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139642922 1026504098 /nfs/dbraw/zinc/50/40/98/1026504098.db2.gz LCNUTPWWFURQOQ-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(-c4cccnc4)cc3)C2)C1 ZINC001139642922 1026504107 /nfs/dbraw/zinc/50/41/07/1026504107.db2.gz LCNUTPWWFURQOQ-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP CC1CC[NH+](Cc2nc(=NOCC[NH3+])c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC001164414373 1026508447 /nfs/dbraw/zinc/50/84/47/1026508447.db2.gz GTQWCFGYVYNCPQ-UHFFFAOYSA-N 2 1 397.548 3.892 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C[NH3+])CC[C@@H]3C)c2c1C ZINC001164473796 1026520058 /nfs/dbraw/zinc/52/00/58/1026520058.db2.gz JOAGUMOZDOIUSJ-WMLDXEAASA-N 2 1 387.597 3.858 20 0 GHADMP C[C@H]1CC[C@@H](C[NH3+])CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164474519 1026520282 /nfs/dbraw/zinc/52/02/82/1026520282.db2.gz RLSOTTBULHNFRA-HOTGVXAUSA-N 2 1 399.608 3.730 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001139866139 1026679026 /nfs/dbraw/zinc/67/90/26/1026679026.db2.gz IQRULWPKGJGJJO-UHFFFAOYSA-N 2 1 392.503 3.679 20 0 GHADMP C[N@@H+]1CCCC[C@H]1c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC001165368481 1026713576 /nfs/dbraw/zinc/71/35/76/1026713576.db2.gz UVBJQWPTFYTXGE-QFIPXVFZSA-N 2 1 380.536 3.683 20 0 GHADMP C[N@H+]1CCCC[C@H]1c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC001165368481 1026713589 /nfs/dbraw/zinc/71/35/89/1026713589.db2.gz UVBJQWPTFYTXGE-QFIPXVFZSA-N 2 1 380.536 3.683 20 0 GHADMP Cn1ncc2ccc(C[NH+]3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc21 ZINC001139906547 1026720326 /nfs/dbraw/zinc/72/03/26/1026720326.db2.gz LJSWZTXEDKDPIA-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP Cn1ncc2ccc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc21 ZINC001139906547 1026720340 /nfs/dbraw/zinc/72/03/40/1026720340.db2.gz LJSWZTXEDKDPIA-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP Cc1nccn1-c1ccccc1CN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@@H]2C1 ZINC001140024973 1026811902 /nfs/dbraw/zinc/81/19/02/1026811902.db2.gz JLORDWHGMLXKJJ-FYYLOGMGSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+]2C[C@H](Oc3ccccc3)C[C@@H]2C1 ZINC001140024973 1026811909 /nfs/dbraw/zinc/81/19/09/1026811909.db2.gz JLORDWHGMLXKJJ-FYYLOGMGSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@@H]2C1 ZINC001140024973 1026811917 /nfs/dbraw/zinc/81/19/17/1026811917.db2.gz JLORDWHGMLXKJJ-FYYLOGMGSA-N 2 1 388.515 3.518 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2ccnc(SC)n2)CC3)c1 ZINC001140036006 1026823918 /nfs/dbraw/zinc/82/39/18/1026823918.db2.gz NAVMHKKMCMKABH-UHFFFAOYSA-N 2 1 398.576 3.695 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccnc(SC)n2)CC3)c1 ZINC001140036006 1026823928 /nfs/dbraw/zinc/82/39/28/1026823928.db2.gz NAVMHKKMCMKABH-UHFFFAOYSA-N 2 1 398.576 3.695 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccnc(SC)n2)CC3)c1 ZINC001140036006 1026823939 /nfs/dbraw/zinc/82/39/39/1026823939.db2.gz NAVMHKKMCMKABH-UHFFFAOYSA-N 2 1 398.576 3.695 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001166247835 1026953007 /nfs/dbraw/zinc/95/30/07/1026953007.db2.gz LDMRVMCJYISGKF-XRLDXWBLSA-N 2 1 377.617 3.761 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC001166247835 1026953012 /nfs/dbraw/zinc/95/30/12/1026953012.db2.gz LDMRVMCJYISGKF-XRLDXWBLSA-N 2 1 377.617 3.761 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(C)cc1O ZINC001140199086 1026971906 /nfs/dbraw/zinc/97/19/06/1026971906.db2.gz FMERZUHHBQHIAE-FQEVSTJZSA-N 2 1 384.520 3.858 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140217557 1026994438 /nfs/dbraw/zinc/99/44/38/1026994438.db2.gz ONMWXQQJLPJHHX-RBBKRZOGSA-N 2 1 399.966 3.766 20 0 GHADMP COCCO[C@@H]1CCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)c2ccccc21 ZINC001209730675 1027127522 /nfs/dbraw/zinc/12/75/22/1027127522.db2.gz NBJQQVGAPKTGFI-JOCHJYFZSA-N 2 1 381.520 3.526 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840240049 1027369580 /nfs/dbraw/zinc/36/95/80/1027369580.db2.gz HGNPCRXLTFZGDW-JOCHJYFZSA-N 2 1 388.552 3.509 20 0 GHADMP COc1cc(OC)c(Cl)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1Cl ZINC001210267437 1027415521 /nfs/dbraw/zinc/41/55/21/1027415521.db2.gz BZXVBSOIDNVQNL-UHFFFAOYSA-N 2 1 383.279 3.559 20 0 GHADMP c1cc(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)cc(N2CC[NH2+]CC2)n1 ZINC001210270449 1027419436 /nfs/dbraw/zinc/41/94/36/1027419436.db2.gz HOAKNXSAQXCFGB-QHCPKHFHSA-N 2 1 391.563 3.578 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC001461257638 1069464880 /nfs/dbraw/zinc/46/48/80/1069464880.db2.gz PJHJHZGTPBZVCO-LSDHHAIUSA-N 2 1 383.330 3.573 20 0 GHADMP Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2ccc(C[NH+]3CCCC3)cc2)[nH+]1 ZINC001203785777 1027603932 /nfs/dbraw/zinc/60/39/32/1027603932.db2.gz IKJSPKYPHLFGGF-CALCHBBNSA-N 2 1 381.524 3.738 20 0 GHADMP Cc1nc(CN2CCO[C@@H]3CN(Cc4cccc(Cl)c4)CC[C@@H]3C2)cs1 ZINC001203800749 1027615338 /nfs/dbraw/zinc/61/53/38/1027615338.db2.gz WNSYHHKKQOMYGQ-YLJYHZDGSA-N 2 1 391.968 3.828 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203891605 1027685497 /nfs/dbraw/zinc/68/54/97/1027685497.db2.gz WHYHUVNOHFXZIK-HSZRJFAPSA-N 2 1 379.548 3.893 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1C ZINC001203894258 1027688000 /nfs/dbraw/zinc/68/80/00/1027688000.db2.gz UJYWRHKILLJVNU-FQEVSTJZSA-N 2 1 384.520 3.852 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203927767 1027718170 /nfs/dbraw/zinc/71/81/70/1027718170.db2.gz DUVHXDZVPKOGPF-ZTCOLXNVSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203927767 1027718190 /nfs/dbraw/zinc/71/81/90/1027718190.db2.gz DUVHXDZVPKOGPF-ZTCOLXNVSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203927767 1027718211 /nfs/dbraw/zinc/71/82/11/1027718211.db2.gz DUVHXDZVPKOGPF-ZTCOLXNVSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203927767 1027718230 /nfs/dbraw/zinc/71/82/30/1027718230.db2.gz DUVHXDZVPKOGPF-ZTCOLXNVSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203929869 1027723079 /nfs/dbraw/zinc/72/30/79/1027723079.db2.gz HWCXGWVXOUPPMU-PKTZIBPZSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203929869 1027723089 /nfs/dbraw/zinc/72/30/89/1027723089.db2.gz HWCXGWVXOUPPMU-PKTZIBPZSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203929869 1027723103 /nfs/dbraw/zinc/72/31/03/1027723103.db2.gz HWCXGWVXOUPPMU-PKTZIBPZSA-N 2 1 377.532 3.989 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001211068304 1027774069 /nfs/dbraw/zinc/77/40/69/1027774069.db2.gz FWWJKLYRCQYYBE-PXNSSMCTSA-N 2 1 394.991 3.897 20 0 GHADMP CCN(C)c1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001204012189 1027804919 /nfs/dbraw/zinc/80/49/19/1027804919.db2.gz PSNRXCUPYFFXOJ-VJBWXMMDSA-N 2 1 378.564 3.928 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1sccc1C)CC2 ZINC001204019851 1027809524 /nfs/dbraw/zinc/80/95/24/1027809524.db2.gz PMOHALATVLAZNM-FQEVSTJZSA-N 2 1 385.577 3.955 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000840808241 1027849610 /nfs/dbraw/zinc/84/96/10/1027849610.db2.gz APNRVUAVYXSVHS-FUHWJXTLSA-N 2 1 390.572 3.797 20 0 GHADMP C[NH+]1CCN(c2ccc(NCc3ccc(C(F)F)nc3)c3c[nH+]ccc32)CC1 ZINC001204072267 1027853945 /nfs/dbraw/zinc/85/39/45/1027853945.db2.gz VBKKLVLSIQZKTO-UHFFFAOYSA-N 2 1 383.446 3.931 20 0 GHADMP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001211285872 1027889503 /nfs/dbraw/zinc/88/95/03/1027889503.db2.gz MDRWLJRGQWMFRF-OALUTQOASA-N 2 1 380.621 3.649 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1O ZINC001204129966 1027902907 /nfs/dbraw/zinc/90/29/07/1027902907.db2.gz YZZRTBIMLLSOEB-UHFFFAOYSA-N 2 1 381.520 3.674 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCC1(C)C ZINC001142070226 1028025719 /nfs/dbraw/zinc/02/57/19/1028025719.db2.gz FTFNTUHMRMHAEI-IBGZPJMESA-N 2 1 387.568 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC001142070226 1028025740 /nfs/dbraw/zinc/02/57/40/1028025740.db2.gz FTFNTUHMRMHAEI-IBGZPJMESA-N 2 1 387.568 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC001142070226 1028025756 /nfs/dbraw/zinc/02/57/56/1028025756.db2.gz FTFNTUHMRMHAEI-IBGZPJMESA-N 2 1 387.568 3.544 20 0 GHADMP Fc1ccccc1COc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000841086974 1028108025 /nfs/dbraw/zinc/10/80/25/1028108025.db2.gz GPRWWFDEVTYHMT-UHFFFAOYSA-N 2 1 397.538 3.711 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000841102469 1028137017 /nfs/dbraw/zinc/13/70/17/1028137017.db2.gz LGHHEDHJOGZHFX-YAJHFMINSA-N 2 1 391.531 3.506 20 0 GHADMP CCC[C@@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC000841282738 1028368381 /nfs/dbraw/zinc/36/83/81/1028368381.db2.gz NNHLKLORIJOQDZ-OAQYLSRUSA-N 2 1 396.535 3.543 20 0 GHADMP Cn1cc2c(cccc2C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001142468826 1028973715 /nfs/dbraw/zinc/97/37/15/1028973715.db2.gz TVTVPBNMMQCPOV-HBUYNFGHSA-N 2 1 376.548 3.968 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001142468826 1028973717 /nfs/dbraw/zinc/97/37/17/1028973717.db2.gz TVTVPBNMMQCPOV-HBUYNFGHSA-N 2 1 376.548 3.968 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001142468826 1028973721 /nfs/dbraw/zinc/97/37/21/1028973721.db2.gz TVTVPBNMMQCPOV-HBUYNFGHSA-N 2 1 376.548 3.968 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@H](C2CCCC2)CC1=O ZINC000842602039 1029408076 /nfs/dbraw/zinc/40/80/76/1029408076.db2.gz QCJFSUQJVCHEOW-OAQYLSRUSA-N 2 1 384.568 3.616 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842667651 1029469723 /nfs/dbraw/zinc/46/97/23/1029469723.db2.gz CFMPOLYQUBNYAM-OAQYLSRUSA-N 2 1 391.515 3.930 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842667651 1029469731 /nfs/dbraw/zinc/46/97/31/1029469731.db2.gz CFMPOLYQUBNYAM-OAQYLSRUSA-N 2 1 391.515 3.930 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678920 1029484237 /nfs/dbraw/zinc/48/42/37/1029484237.db2.gz BAHOPHWGZBTBEB-PMACEKPBSA-N 2 1 385.552 3.783 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678920 1029484252 /nfs/dbraw/zinc/48/42/52/1029484252.db2.gz BAHOPHWGZBTBEB-PMACEKPBSA-N 2 1 385.552 3.783 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678938 1029484784 /nfs/dbraw/zinc/48/47/84/1029484784.db2.gz BAHOPHWGZBTBEB-WOJBJXKFSA-N 2 1 385.552 3.783 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678938 1029484787 /nfs/dbraw/zinc/48/47/87/1029484787.db2.gz BAHOPHWGZBTBEB-WOJBJXKFSA-N 2 1 385.552 3.783 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C(/C)c1ccccc1Cl ZINC001143140439 1029865778 /nfs/dbraw/zinc/86/57/78/1029865778.db2.gz QFPFPUUYLZSBID-RZPKCTKSSA-N 2 1 377.960 3.618 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363782 1029942803 /nfs/dbraw/zinc/94/28/03/1029942803.db2.gz QEQIXQYAZFIREW-CYBMUJFWSA-N 2 1 380.414 3.892 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843385712 1029953583 /nfs/dbraw/zinc/95/35/83/1029953583.db2.gz FBLKXBLNWRIYDH-GJZGRUSLSA-N 2 1 383.508 3.651 20 0 GHADMP CN1CCN(c2ccccc2C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CC1 ZINC001222113114 1029968581 /nfs/dbraw/zinc/96/85/81/1029968581.db2.gz DBFFWYIHUDVZDV-UHFFFAOYSA-N 2 1 384.612 3.574 20 0 GHADMP Cc1c(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)ccc(Br)c1Cl ZINC001222408087 1030113002 /nfs/dbraw/zinc/11/30/02/1030113002.db2.gz YEALLOMONHIREM-UHFFFAOYSA-N 2 1 387.749 3.613 20 0 GHADMP Cc1c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)ccc(Br)c1Cl ZINC001222408087 1030113011 /nfs/dbraw/zinc/11/30/11/1030113011.db2.gz YEALLOMONHIREM-UHFFFAOYSA-N 2 1 387.749 3.613 20 0 GHADMP CC(C)(C)OC(=O)c1cc(F)c(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c(F)c1 ZINC001222460803 1030146791 /nfs/dbraw/zinc/14/67/91/1030146791.db2.gz DQZNMJRAAPJVDK-UHFFFAOYSA-N 2 1 380.479 3.886 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC001222562601 1030199252 /nfs/dbraw/zinc/19/92/52/1030199252.db2.gz YNDYMHFFDJVJGU-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001222577306 1030207448 /nfs/dbraw/zinc/20/74/48/1030207448.db2.gz XVXCKSBJFHNASU-JOCHJYFZSA-N 3 1 385.596 3.522 20 0 GHADMP c1cn2ccc(C[N@@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc2n1 ZINC001222582765 1030210041 /nfs/dbraw/zinc/21/00/41/1030210041.db2.gz GDRYTDZWTVJBKZ-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1cn2ccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc2n1 ZINC001222582765 1030210056 /nfs/dbraw/zinc/21/00/56/1030210056.db2.gz GDRYTDZWTVJBKZ-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2ncccc12 ZINC001222582848 1030210888 /nfs/dbraw/zinc/21/08/88/1030210888.db2.gz IKLXHXAWFSBSNH-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2ncccc12 ZINC001222582848 1030210905 /nfs/dbraw/zinc/21/09/05/1030210905.db2.gz IKLXHXAWFSBSNH-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1nn2ccccc2c1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590034 1030213799 /nfs/dbraw/zinc/21/37/99/1030213799.db2.gz CLYDPZNJJLWVND-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1nn2ccccc2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590034 1030213817 /nfs/dbraw/zinc/21/38/17/1030213817.db2.gz CLYDPZNJJLWVND-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1cc2cc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ncc2[nH]1 ZINC001222591809 1030217508 /nfs/dbraw/zinc/21/75/08/1030217508.db2.gz YYDURJCVNJWTKT-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]CC[C@H]43)s2)cc1 ZINC001222619923 1030242809 /nfs/dbraw/zinc/24/28/09/1030242809.db2.gz BIQGWEWNYKJWSF-XJKSGUPXSA-N 2 1 378.339 3.756 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)s2)cc1 ZINC001222619923 1030242827 /nfs/dbraw/zinc/24/28/27/1030242827.db2.gz BIQGWEWNYKJWSF-XJKSGUPXSA-N 2 1 378.339 3.756 20 0 GHADMP [NH3+][C@@H](CSc1ccccc1)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217726442 1030629791 /nfs/dbraw/zinc/62/97/91/1030629791.db2.gz GJSRAJMTOZIPTM-MJGOQNOKSA-N 2 1 380.517 3.851 20 0 GHADMP [NH3+][C@@H](CSc1ccccc1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217726442 1030629809 /nfs/dbraw/zinc/62/98/09/1030629809.db2.gz GJSRAJMTOZIPTM-MJGOQNOKSA-N 2 1 380.517 3.851 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001218249685 1030851753 /nfs/dbraw/zinc/85/17/53/1030851753.db2.gz YTQIJXAAXRLZBE-DEOSSOPVSA-N 2 1 393.575 3.771 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2cccc(N4CC[NH2+]CC4)c2)C3)cc1 ZINC001218343600 1030904237 /nfs/dbraw/zinc/90/42/37/1030904237.db2.gz ILUCCKOFPOPCAP-FIDNPTQWSA-N 2 1 377.532 3.671 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC001224736160 1031095816 /nfs/dbraw/zinc/09/58/16/1031095816.db2.gz VPTQVYICCHUVDE-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc([C@H]4CCC[NH2+]4)c3)cc2)CC1 ZINC001218845425 1031110547 /nfs/dbraw/zinc/11/05/47/1031110547.db2.gz ADJKCBZSECAUNX-HSZRJFAPSA-N 2 1 392.547 3.501 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)c1 ZINC001218883391 1031132781 /nfs/dbraw/zinc/13/27/81/1031132781.db2.gz JICMNWRZKIUYLV-WMZHIEFXSA-N 2 1 396.535 3.542 20 0 GHADMP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001219024106 1031218521 /nfs/dbraw/zinc/21/85/21/1031218521.db2.gz QPKDPMYVSAXLQQ-OXQOHEQNSA-N 2 1 375.557 3.921 20 0 GHADMP Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001219025650 1031218813 /nfs/dbraw/zinc/21/88/13/1031218813.db2.gz DKEUSIBEGZREON-ZDUSSCGKSA-N 2 1 392.441 3.546 20 0 GHADMP Cc1cc(F)c(C(F)(F)F)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001219025650 1031218818 /nfs/dbraw/zinc/21/88/18/1031218818.db2.gz DKEUSIBEGZREON-ZDUSSCGKSA-N 2 1 392.441 3.546 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C3CCC(C[NH3+])CC3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046571 1031227479 /nfs/dbraw/zinc/22/74/79/1031227479.db2.gz DQWYEXMNQXUBSM-CNBHCMJISA-N 2 1 377.532 3.968 20 0 GHADMP CC[C@]1(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)CCC[NH2+]C1 ZINC001219047054 1031228914 /nfs/dbraw/zinc/22/89/14/1031228914.db2.gz PAYAFRZWSROTMU-RDPSFJRHSA-N 2 1 377.532 3.982 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cccc2[C@H](c2ccccc2)C1 ZINC001219047404 1031229645 /nfs/dbraw/zinc/22/96/45/1031229645.db2.gz XMKLGSMIUBQZDV-DHLKQENFSA-N 2 1 397.522 3.917 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705486 1031566770 /nfs/dbraw/zinc/56/67/70/1031566770.db2.gz KQISQYLKVIMNKP-UHFFFAOYSA-N 2 1 399.538 3.651 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N[C@H]1C[NH2+]Cc2ccsc21)c1ccccc1 ZINC001219824978 1031636755 /nfs/dbraw/zinc/63/67/55/1031636755.db2.gz ANFZTHCYBVZXGU-LEWJYISDSA-N 2 1 391.540 3.882 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N[C@H]1C[NH2+]Cc2ccsc21)c1ccccc1 ZINC001219824978 1031636765 /nfs/dbraw/zinc/63/67/65/1031636765.db2.gz ANFZTHCYBVZXGU-LEWJYISDSA-N 2 1 391.540 3.882 20 0 GHADMP C[C@@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001220195010 1031828892 /nfs/dbraw/zinc/82/88/92/1031828892.db2.gz MNVZARASQJZHBO-MSOLQXFVSA-N 2 1 385.556 3.846 20 0 GHADMP C[C@@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001220195010 1031828906 /nfs/dbraw/zinc/82/89/06/1031828906.db2.gz MNVZARASQJZHBO-MSOLQXFVSA-N 2 1 385.556 3.846 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220504386 1031969482 /nfs/dbraw/zinc/96/94/82/1031969482.db2.gz ZZTNFDFRIIDLSE-UXPWSPDFSA-N 2 1 387.474 3.664 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220504386 1031969495 /nfs/dbraw/zinc/96/94/95/1031969495.db2.gz ZZTNFDFRIIDLSE-UXPWSPDFSA-N 2 1 387.474 3.664 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001220611695 1032011933 /nfs/dbraw/zinc/01/19/33/1032011933.db2.gz VUMXEQWSIZYAIE-SFTDATJTSA-N 2 1 394.648 3.943 20 0 GHADMP CSc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC001220627211 1032026943 /nfs/dbraw/zinc/02/69/43/1032026943.db2.gz WEAZLDMVKQNGPR-ZWOKBUDYSA-N 2 1 392.613 3.573 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC001229184598 1033327023 /nfs/dbraw/zinc/32/70/23/1033327023.db2.gz FYKSUOKPFPYLNR-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001229184598 1033327034 /nfs/dbraw/zinc/32/70/34/1033327034.db2.gz FYKSUOKPFPYLNR-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001229184598 1033327043 /nfs/dbraw/zinc/32/70/43/1033327043.db2.gz FYKSUOKPFPYLNR-UEVCKROQSA-N 2 1 398.595 3.603 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205288625 1033342484 /nfs/dbraw/zinc/34/24/84/1033342484.db2.gz MHMBJUAUZPAYOR-HSZRJFAPSA-N 2 1 382.504 3.756 20 0 GHADMP Nc1[nH]c2ccc(C(=O)Nc3ccc4c(c3)CC[C@H]([NH+]3CCCC3)CC4)cc2[nH+]1 ZINC001156974898 1033350316 /nfs/dbraw/zinc/35/03/16/1033350316.db2.gz BLZGMHCLJGFXQU-LJQANCHMSA-N 2 1 389.503 3.741 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)[NH+](CC)CC)cc1 ZINC001229303810 1033404618 /nfs/dbraw/zinc/40/46/18/1033404618.db2.gz UZKHKZDHYCQLCY-YADHBBJMSA-N 2 1 388.600 3.758 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)ccc1OC(=O)c1cccs1 ZINC001205546176 1033463402 /nfs/dbraw/zinc/46/34/02/1033463402.db2.gz RFTQNXUHOHBGKM-FQEVSTJZSA-N 2 1 392.496 3.629 20 0 GHADMP CC[C@H](C)[C@H](C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OC ZINC001205702442 1033537718 /nfs/dbraw/zinc/53/77/18/1033537718.db2.gz GMZJUNTZLKPKPO-KKSFZXQISA-N 2 1 377.573 3.664 20 0 GHADMP CC[C@H](C)[C@H](C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OC ZINC001205702442 1033537728 /nfs/dbraw/zinc/53/77/28/1033537728.db2.gz GMZJUNTZLKPKPO-KKSFZXQISA-N 2 1 377.573 3.664 20 0 GHADMP CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@@H]3C[C@@H]4CC(=O)C[C@H]3[N@H+]4C)c2C1 ZINC001229647128 1033613167 /nfs/dbraw/zinc/61/31/67/1033613167.db2.gz DOMJYHUNKYKSKL-PKWOTWBQSA-N 2 1 384.564 3.849 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(OCc2ccccc2)cc1OC ZINC001205905235 1033629887 /nfs/dbraw/zinc/62/98/87/1033629887.db2.gz ZMJQWBMKVXENQB-HKUYNNGSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c(OCc2ccccc2)cc1OC ZINC001205905235 1033629898 /nfs/dbraw/zinc/62/98/98/1033629898.db2.gz ZMJQWBMKVXENQB-HKUYNNGSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](C[NH3+])[C@H](C)C3)s2)cc1OC ZINC001206011800 1033686463 /nfs/dbraw/zinc/68/64/63/1033686463.db2.gz GOTMWIWNKYMITF-ZBFHGGJFSA-N 2 1 375.538 3.634 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H](c3ccccc3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615200 1033690685 /nfs/dbraw/zinc/69/06/85/1033690685.db2.gz CHSNOVFCENLXCX-JDBUVZGPSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@H](c3ccccc3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615201 1033691592 /nfs/dbraw/zinc/69/15/92/1033691592.db2.gz CHSNOVFCENLXCX-SHBJFUFKSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@H]([NH3+])[C@@H]4C)c23)C1 ZINC001157746505 1033750148 /nfs/dbraw/zinc/75/01/48/1033750148.db2.gz QSPQHPFLGZHJQK-VYDXJSESSA-N 2 1 399.608 3.728 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001206537782 1033898086 /nfs/dbraw/zinc/89/80/86/1033898086.db2.gz NZUYTPKBODBYDK-MOPGFXCFSA-N 2 1 385.552 3.551 20 0 GHADMP Cc1nc(N(C)C)cc(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC001158089094 1033909497 /nfs/dbraw/zinc/90/94/97/1033909497.db2.gz WFUGSQQOZOUHFF-UHFFFAOYSA-N 2 1 393.457 3.628 20 0 GHADMP CC(C)[N@H+](Cc1ccc(I)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206592143 1033917517 /nfs/dbraw/zinc/91/75/17/1033917517.db2.gz XRFXROFFVNVLIU-HNNXBMFYSA-N 2 1 390.284 3.783 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(I)cc1F)[C@H]1CCC[NH2+]CC1 ZINC001206592143 1033917522 /nfs/dbraw/zinc/91/75/22/1033917522.db2.gz XRFXROFFVNVLIU-HNNXBMFYSA-N 2 1 390.284 3.783 20 0 GHADMP Cc1nc(N2CCCC2)cc(N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)[nH+]1 ZINC001158147185 1033935920 /nfs/dbraw/zinc/93/59/20/1033935920.db2.gz QYJTTXHMEYCKPB-WGSAOQKQSA-N 2 1 383.515 3.801 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001158160940 1033944753 /nfs/dbraw/zinc/94/47/53/1033944753.db2.gz MHIAGYDESHIBIZ-UPVQGACJSA-N 2 1 377.532 3.604 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001158160940 1033944758 /nfs/dbraw/zinc/94/47/58/1033944758.db2.gz MHIAGYDESHIBIZ-UPVQGACJSA-N 2 1 377.532 3.604 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H](C)[NH2+][C@@H](C)C3)n2)CCC4)CC1 ZINC001158176447 1033953386 /nfs/dbraw/zinc/95/33/86/1033953386.db2.gz FJVNSSSJXXJSGI-HOTGVXAUSA-N 2 1 399.608 3.599 20 0 GHADMP Cc1cccc(OC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC001206721519 1033958496 /nfs/dbraw/zinc/95/84/96/1033958496.db2.gz FAGJBYYNCQFJTR-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP COc1cc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848215 1034033417 /nfs/dbraw/zinc/03/34/17/1034033417.db2.gz ZOXZJBCUYWNNLU-VWLOTQADSA-N 2 1 390.527 3.917 20 0 GHADMP COc1cc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc2ccccc21 ZINC001206848215 1034033436 /nfs/dbraw/zinc/03/34/36/1034033436.db2.gz ZOXZJBCUYWNNLU-VWLOTQADSA-N 2 1 390.527 3.917 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc2ccccc21 ZINC001206848215 1034033451 /nfs/dbraw/zinc/03/34/51/1034033451.db2.gz ZOXZJBCUYWNNLU-VWLOTQADSA-N 2 1 390.527 3.917 20 0 GHADMP Cc1ccc(-c2cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c2)cc1 ZINC001230414718 1034042238 /nfs/dbraw/zinc/04/22/38/1034042238.db2.gz IFVPIJFEMLNHGA-FQEVSTJZSA-N 2 1 396.579 3.733 20 0 GHADMP Cc1ccc(-c2cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c2)cc1 ZINC001230414718 1034042249 /nfs/dbraw/zinc/04/22/49/1034042249.db2.gz IFVPIJFEMLNHGA-FQEVSTJZSA-N 2 1 396.579 3.733 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001230458729 1034071316 /nfs/dbraw/zinc/07/13/16/1034071316.db2.gz SAZRMPXKJAKPAU-RTWAWAEBSA-N 2 1 392.563 3.580 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001230458729 1034071329 /nfs/dbraw/zinc/07/13/29/1034071329.db2.gz SAZRMPXKJAKPAU-RTWAWAEBSA-N 2 1 392.563 3.580 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C(C)C)[C@@H](C)C3)c2c1C ZINC001158495102 1034110452 /nfs/dbraw/zinc/11/04/52/1034110452.db2.gz GUJPJHLVCDAXPP-HNNXBMFYSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C(C)C)[C@@H](C)C3)c2c1C ZINC001158495102 1034110462 /nfs/dbraw/zinc/11/04/62/1034110462.db2.gz GUJPJHLVCDAXPP-HNNXBMFYSA-N 2 1 387.597 3.823 20 0 GHADMP COC(=O)c1ccc2c(c1)C[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207292127 1034243431 /nfs/dbraw/zinc/24/34/31/1034243431.db2.gz KJKXESKFZSHUFY-UHFFFAOYSA-N 2 1 378.516 3.744 20 0 GHADMP COC(=O)c1cccc2c1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207293390 1034245184 /nfs/dbraw/zinc/24/51/84/1034245184.db2.gz IQIZYUTWYLQXBM-UHFFFAOYSA-N 2 1 378.516 3.744 20 0 GHADMP COC(=O)c1cccc2c1C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207295011 1034249025 /nfs/dbraw/zinc/24/90/25/1034249025.db2.gz ZGQZLTUFJGVQSZ-UHFFFAOYSA-N 2 1 378.516 3.744 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC001207356442 1034300038 /nfs/dbraw/zinc/30/00/38/1034300038.db2.gz JRDQFPVUGYBDOA-FGZHOGPDSA-N 2 1 386.580 3.947 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1 ZINC001207436082 1034369622 /nfs/dbraw/zinc/36/96/22/1034369622.db2.gz VOZKLJJOCDVIOF-ZJSXRUAMSA-N 2 1 399.579 3.855 20 0 GHADMP COc1ccccc1CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001207451789 1034373566 /nfs/dbraw/zinc/37/35/66/1034373566.db2.gz BETKDZJTGUFMPX-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccccc1CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001207451789 1034373579 /nfs/dbraw/zinc/37/35/79/1034373579.db2.gz BETKDZJTGUFMPX-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccccc1CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001207451789 1034373586 /nfs/dbraw/zinc/37/35/86/1034373586.db2.gz BETKDZJTGUFMPX-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccc(CCC[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001207577920 1034459776 /nfs/dbraw/zinc/45/97/76/1034459776.db2.gz LAASMFJOGRVCEL-NRFANRHFSA-N 2 1 398.547 3.976 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC[C@@H](C)CCCC(C)(C)O)C2 ZINC001207638550 1034503485 /nfs/dbraw/zinc/50/34/85/1034503485.db2.gz DESNJHDJPOMNBF-RRPUWOKSSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC[C@@H](C)CCCC(C)(C)O)C2 ZINC001207638550 1034503497 /nfs/dbraw/zinc/50/34/97/1034503497.db2.gz DESNJHDJPOMNBF-RRPUWOKSSA-N 2 1 380.617 3.634 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC[C@@H](C)CCCC(C)(C)O)C2 ZINC001207638550 1034503508 /nfs/dbraw/zinc/50/35/08/1034503508.db2.gz DESNJHDJPOMNBF-RRPUWOKSSA-N 2 1 380.617 3.634 20 0 GHADMP FC1(F)CCN(CC2CCSCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001207727650 1034544755 /nfs/dbraw/zinc/54/47/55/1034544755.db2.gz IKBZNEAAMRPBQS-IBGZPJMESA-N 2 1 381.536 3.758 20 0 GHADMP FC1(F)CC[N@H+](CC2CCSCC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001207727650 1034544763 /nfs/dbraw/zinc/54/47/63/1034544763.db2.gz IKBZNEAAMRPBQS-IBGZPJMESA-N 2 1 381.536 3.758 20 0 GHADMP FC1(F)CC[N@@H+](CC2CCSCC2)C[C@]12CC[NH+](Cc1ccccn1)C2 ZINC001207727650 1034544767 /nfs/dbraw/zinc/54/47/67/1034544767.db2.gz IKBZNEAAMRPBQS-IBGZPJMESA-N 2 1 381.536 3.758 20 0 GHADMP FC1(F)CC[NH+](CC2CCSCC2)C[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC001207727650 1034544776 /nfs/dbraw/zinc/54/47/76/1034544776.db2.gz IKBZNEAAMRPBQS-IBGZPJMESA-N 2 1 381.536 3.758 20 0 GHADMP FC1(F)CC[NH+](CC2CCSCC2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001207727650 1034544784 /nfs/dbraw/zinc/54/47/84/1034544784.db2.gz IKBZNEAAMRPBQS-IBGZPJMESA-N 2 1 381.536 3.758 20 0 GHADMP Cc1[nH+]c2ccc(Br)cn2c1Nc1ccc(N2CC[NH2+]CC2)cc1 ZINC001159372435 1034570327 /nfs/dbraw/zinc/57/03/27/1034570327.db2.gz XRWSOWOZCKRDKI-UHFFFAOYSA-N 2 1 386.297 3.558 20 0 GHADMP C[C@H](Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC001159500382 1034621170 /nfs/dbraw/zinc/62/11/70/1034621170.db2.gz CLENLQYOTBPVNQ-UWJYYQICSA-N 2 1 399.498 3.876 20 0 GHADMP COCCCOc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccc1OC ZINC001231609611 1034764721 /nfs/dbraw/zinc/76/47/21/1034764721.db2.gz CDDWCZWBXBZLPK-SFTDATJTSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1cc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)ccc1OC ZINC001231609611 1034764734 /nfs/dbraw/zinc/76/47/34/1034764734.db2.gz CDDWCZWBXBZLPK-SFTDATJTSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)ccc1OC ZINC001231609611 1034764745 /nfs/dbraw/zinc/76/47/45/1034764745.db2.gz CDDWCZWBXBZLPK-SFTDATJTSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1cc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)ccc1OC ZINC001231609611 1034764756 /nfs/dbraw/zinc/76/47/56/1034764756.db2.gz CDDWCZWBXBZLPK-SFTDATJTSA-N 2 1 390.568 3.949 20 0 GHADMP CC[C@H]1[N@@H+](CC2(C[NH+](C)C)CCCC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001208185430 1034781768 /nfs/dbraw/zinc/78/17/68/1034781768.db2.gz MVTJKVVBEAQIBJ-OFNKIYASSA-N 2 1 375.601 3.754 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)CCCC1 ZINC001208187108 1034784727 /nfs/dbraw/zinc/78/47/27/1034784727.db2.gz QMQUXCAQCRKSSW-OAQYLSRUSA-N 2 1 392.538 3.741 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC[C@H](C)CCCC(C)(C)OC)CC2)C1 ZINC001208208654 1034799436 /nfs/dbraw/zinc/79/94/36/1034799436.db2.gz DIAKIVQSRNZNBH-WOJBJXKFSA-N 2 1 396.616 3.957 20 0 GHADMP COCC[N@@H+](Cc1ccc(OC(C)C)c(Br)c1)C1CCN(C)CC1 ZINC001231721094 1034859576 /nfs/dbraw/zinc/85/95/76/1034859576.db2.gz QJUDNMBLAULHOW-UHFFFAOYSA-N 2 1 399.373 3.779 20 0 GHADMP COCCN(Cc1ccc(OC(C)C)c(Br)c1)C1CC[NH+](C)CC1 ZINC001231721094 1034859582 /nfs/dbraw/zinc/85/95/82/1034859582.db2.gz QJUDNMBLAULHOW-UHFFFAOYSA-N 2 1 399.373 3.779 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC3(C2)CC[NH+](Cc2cccnc2)C3)cc1 ZINC001208585436 1034942630 /nfs/dbraw/zinc/94/26/30/1034942630.db2.gz LRIQVFMQVCEMLT-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CC3(C2)CC[N@H+](Cc2cccnc2)C3)cc1 ZINC001208585436 1034942636 /nfs/dbraw/zinc/94/26/36/1034942636.db2.gz LRIQVFMQVCEMLT-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@@H]2CN2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001208585436 1034942640 /nfs/dbraw/zinc/94/26/40/1034942640.db2.gz LRIQVFMQVCEMLT-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001208593778 1034948831 /nfs/dbraw/zinc/94/88/31/1034948831.db2.gz IYWVOXMGMJOSKB-UHFFFAOYSA-N 2 1 379.589 3.831 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)C1 ZINC001208616662 1034955498 /nfs/dbraw/zinc/95/54/98/1034955498.db2.gz KZGCQTUEWBYCFW-HNNXBMFYSA-N 2 1 379.342 3.560 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001208634981 1034963656 /nfs/dbraw/zinc/96/36/56/1034963656.db2.gz TZVHOJYCBWBWHT-MLCQCVOFSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001208634981 1034963661 /nfs/dbraw/zinc/96/36/61/1034963661.db2.gz TZVHOJYCBWBWHT-MLCQCVOFSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001208634981 1034963665 /nfs/dbraw/zinc/96/36/65/1034963665.db2.gz TZVHOJYCBWBWHT-MLCQCVOFSA-N 2 1 384.564 3.810 20 0 GHADMP Fc1ccc(CCC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001208773265 1035012351 /nfs/dbraw/zinc/01/23/51/1035012351.db2.gz PKGWYVYVMKQKLI-UHFFFAOYSA-N 2 1 397.538 3.768 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001208788640 1035021649 /nfs/dbraw/zinc/02/16/49/1035021649.db2.gz OXHWZRIJQPEGMA-MRXNPFEDSA-N 2 1 389.927 3.990 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001208793806 1035025490 /nfs/dbraw/zinc/02/54/90/1035025490.db2.gz AMGIEHLCXFVODR-UHFFFAOYSA-N 2 1 383.536 3.992 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)cnc1F)CC2 ZINC001231994070 1035029673 /nfs/dbraw/zinc/02/96/73/1035029673.db2.gz RTHLAHXISQAPLJ-KRWDZBQOSA-N 2 1 393.890 3.723 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)nc(C)c4)CC3)C2)cc1 ZINC001231998694 1035032558 /nfs/dbraw/zinc/03/25/58/1035032558.db2.gz FOYVLBWWLIOFBF-UHFFFAOYSA-N 2 1 379.548 3.874 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc(C)n1 ZINC001231999047 1035033148 /nfs/dbraw/zinc/03/31/48/1035033148.db2.gz OWUAYMYALLZJOA-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc(C)n1 ZINC001231999047 1035033154 /nfs/dbraw/zinc/03/31/54/1035033154.db2.gz OWUAYMYALLZJOA-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc(C)n1 ZINC001231999047 1035033162 /nfs/dbraw/zinc/03/31/62/1035033162.db2.gz OWUAYMYALLZJOA-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc(C)n1 ZINC001231999047 1035033168 /nfs/dbraw/zinc/03/31/68/1035033168.db2.gz OWUAYMYALLZJOA-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP C[C@]1(CC(=O)N(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC001160680553 1035033208 /nfs/dbraw/zinc/03/32/08/1035033208.db2.gz UNQNZAVTGIOYJT-ILBGXUMGSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(CC1CC[NH2+]CC1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160679858 1035033496 /nfs/dbraw/zinc/03/34/96/1035033496.db2.gz LKEBWVPBRNZSDD-DEOSSOPVSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160680802 1035033610 /nfs/dbraw/zinc/03/36/10/1035033610.db2.gz VTXIXFXWFXBMSS-OYDLWJJNSA-N 2 1 391.559 3.678 20 0 GHADMP CC1(C)C[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160683450 1035035577 /nfs/dbraw/zinc/03/55/77/1035035577.db2.gz MMQMCXDLTKQRRI-XZOQPEGZSA-N 2 1 391.559 3.535 20 0 GHADMP c1c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232013313 1035044065 /nfs/dbraw/zinc/04/40/65/1035044065.db2.gz KJYUNSRHYKJJIN-WMZHIEFXSA-N 2 1 392.503 3.546 20 0 GHADMP c1c(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232013313 1035044072 /nfs/dbraw/zinc/04/40/72/1035044072.db2.gz KJYUNSRHYKJJIN-WMZHIEFXSA-N 2 1 392.503 3.546 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001160737974 1035049501 /nfs/dbraw/zinc/04/95/01/1035049501.db2.gz APWADAPUJDGFHD-FGZHOGPDSA-N 2 1 375.601 3.944 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001160737974 1035049511 /nfs/dbraw/zinc/04/95/11/1035049511.db2.gz APWADAPUJDGFHD-FGZHOGPDSA-N 2 1 375.601 3.944 20 0 GHADMP CCC(=O)C(C)(C)C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001208915926 1035088215 /nfs/dbraw/zinc/08/82/15/1035088215.db2.gz QXPKPGWFWMXFDB-KRWDZBQOSA-N 2 1 378.582 3.809 20 0 GHADMP CCC(=O)C(C)(C)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001208915926 1035088227 /nfs/dbraw/zinc/08/82/27/1035088227.db2.gz QXPKPGWFWMXFDB-KRWDZBQOSA-N 2 1 378.582 3.809 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208932397 1035097414 /nfs/dbraw/zinc/09/74/14/1035097414.db2.gz PPEYXWIOGUAXKL-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208932397 1035097421 /nfs/dbraw/zinc/09/74/21/1035097421.db2.gz PPEYXWIOGUAXKL-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208932397 1035097425 /nfs/dbraw/zinc/09/74/25/1035097425.db2.gz PPEYXWIOGUAXKL-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CC[NH+](Cc2ccccc2)C1 ZINC001461937905 1069902903 /nfs/dbraw/zinc/90/29/03/1069902903.db2.gz HBTBLMXGFMWKQW-ZJSXRUAMSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@@H]2C(=O)NC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001461937905 1069902911 /nfs/dbraw/zinc/90/29/11/1069902911.db2.gz HBTBLMXGFMWKQW-ZJSXRUAMSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@@H]2C(=O)NC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461937905 1069902915 /nfs/dbraw/zinc/90/29/15/1069902915.db2.gz HBTBLMXGFMWKQW-ZJSXRUAMSA-N 2 1 383.580 3.668 20 0 GHADMP O=C(NC1CCC1)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936429 1035103137 /nfs/dbraw/zinc/10/31/37/1035103137.db2.gz SJDKWXDWHXBHGK-GMAHTHKFSA-N 2 1 395.591 3.669 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938438 1035106257 /nfs/dbraw/zinc/10/62/57/1035106257.db2.gz ZHJDKVPQEPEKSO-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938438 1035106260 /nfs/dbraw/zinc/10/62/60/1035106260.db2.gz ZHJDKVPQEPEKSO-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938438 1035106266 /nfs/dbraw/zinc/10/62/66/1035106266.db2.gz ZHJDKVPQEPEKSO-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP COc1cccc(C[NH+]2CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208938386 1035106381 /nfs/dbraw/zinc/10/63/81/1035106381.db2.gz BPEQGLUCTXAPJF-XMMPIXPASA-N 2 1 393.575 3.725 20 0 GHADMP COc1cccc(C[NH+]2CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208938386 1035106386 /nfs/dbraw/zinc/10/63/86/1035106386.db2.gz BPEQGLUCTXAPJF-XMMPIXPASA-N 2 1 393.575 3.725 20 0 GHADMP O=C1CC2(CN1CC1CC1)CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941931 1035111179 /nfs/dbraw/zinc/11/11/79/1035111179.db2.gz FCHYWQHUISUUBQ-QHCPKHFHSA-N 2 1 395.591 3.623 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208943905 1035114116 /nfs/dbraw/zinc/11/41/16/1035114116.db2.gz WMIQWBVVSZCVRY-XUZZJYLKSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943905 1035114121 /nfs/dbraw/zinc/11/41/21/1035114121.db2.gz WMIQWBVVSZCVRY-XUZZJYLKSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208943905 1035114125 /nfs/dbraw/zinc/11/41/25/1035114125.db2.gz WMIQWBVVSZCVRY-XUZZJYLKSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945071 1035115212 /nfs/dbraw/zinc/11/52/12/1035115212.db2.gz YMPHRLDRKQGXEP-PQNGQFLHSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208945071 1035115215 /nfs/dbraw/zinc/11/52/15/1035115215.db2.gz YMPHRLDRKQGXEP-PQNGQFLHSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208945071 1035115217 /nfs/dbraw/zinc/11/52/17/1035115217.db2.gz YMPHRLDRKQGXEP-PQNGQFLHSA-N 2 1 399.579 3.888 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208946271 1035117613 /nfs/dbraw/zinc/11/76/13/1035117613.db2.gz TYDDVGSPZWCPQJ-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208946271 1035117622 /nfs/dbraw/zinc/11/76/22/1035117622.db2.gz TYDDVGSPZWCPQJ-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208946271 1035117630 /nfs/dbraw/zinc/11/76/30/1035117630.db2.gz TYDDVGSPZWCPQJ-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208946271 1035117639 /nfs/dbraw/zinc/11/76/39/1035117639.db2.gz TYDDVGSPZWCPQJ-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951702 1035123110 /nfs/dbraw/zinc/12/31/10/1035123110.db2.gz BCPODZIIHBXAMG-YADHBBJMSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@@H](COC)[NH+](CCC(=O)OCC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951702 1035123113 /nfs/dbraw/zinc/12/31/13/1035123113.db2.gz BCPODZIIHBXAMG-YADHBBJMSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@@H](COC)[NH+](CCC(=O)OCC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951702 1035123117 /nfs/dbraw/zinc/12/31/17/1035123117.db2.gz BCPODZIIHBXAMG-YADHBBJMSA-N 2 1 390.568 3.579 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3c(Br)[nH]c4ccccc43)CC2)cc[nH+]1 ZINC001232145309 1035123180 /nfs/dbraw/zinc/12/31/80/1035123180.db2.gz OKMVBZSGEFZUTC-UHFFFAOYSA-N 2 1 385.309 3.956 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC001232146329 1035124400 /nfs/dbraw/zinc/12/44/00/1035124400.db2.gz MYQSKRRORWIOIB-ACDBMABISA-N 2 1 391.531 3.907 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001232148328 1035126251 /nfs/dbraw/zinc/12/62/51/1035126251.db2.gz BJITUVPFNBAPRO-BEFAXECRSA-N 2 1 379.520 3.622 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001232148328 1035126254 /nfs/dbraw/zinc/12/62/54/1035126254.db2.gz BJITUVPFNBAPRO-BEFAXECRSA-N 2 1 379.520 3.622 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001161054491 1035126914 /nfs/dbraw/zinc/12/69/14/1035126914.db2.gz AYFLTGJZKUXUOE-XZYOPWHXSA-N 2 1 383.580 3.666 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c1 ZINC001232149764 1035127400 /nfs/dbraw/zinc/12/74/00/1035127400.db2.gz ZRIFJBXJDPUZIH-UHFFFAOYSA-N 2 1 382.483 3.780 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001232151035 1035130062 /nfs/dbraw/zinc/13/00/62/1035130062.db2.gz JUXIBBJBSSZKDQ-SXLOBPIMSA-N 2 1 391.531 3.622 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209005567 1035146808 /nfs/dbraw/zinc/14/68/08/1035146808.db2.gz SZUSGVNWWAICIC-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209005567 1035146813 /nfs/dbraw/zinc/14/68/13/1035146813.db2.gz SZUSGVNWWAICIC-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209005567 1035146817 /nfs/dbraw/zinc/14/68/17/1035146817.db2.gz SZUSGVNWWAICIC-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209005567 1035146820 /nfs/dbraw/zinc/14/68/20/1035146820.db2.gz SZUSGVNWWAICIC-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001209010393 1035148630 /nfs/dbraw/zinc/14/86/30/1035148630.db2.gz ALJWNSVYNLQXKV-ODAXIHTASA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001209010393 1035148631 /nfs/dbraw/zinc/14/86/31/1035148631.db2.gz ALJWNSVYNLQXKV-ODAXIHTASA-N 2 1 384.564 3.810 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC001232249010 1035182437 /nfs/dbraw/zinc/18/24/37/1035182437.db2.gz BAPZVNNNRHUKBN-DPLHUUCSSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC001232249010 1035182441 /nfs/dbraw/zinc/18/24/41/1035182441.db2.gz BAPZVNNNRHUKBN-DPLHUUCSSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC001232249010 1035182447 /nfs/dbraw/zinc/18/24/47/1035182447.db2.gz BAPZVNNNRHUKBN-DPLHUUCSSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3nccc4ccccc43)CC[C@@H]21 ZINC001232249010 1035182451 /nfs/dbraw/zinc/18/24/51/1035182451.db2.gz BAPZVNNNRHUKBN-DPLHUUCSSA-N 2 1 389.547 3.805 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](CCc4ccc5c(c4)CCO5)CC3)C2)c1 ZINC001209143763 1035191372 /nfs/dbraw/zinc/19/13/72/1035191372.db2.gz BUMXHYLSIUFPFU-UHFFFAOYSA-N 2 1 398.572 3.593 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](CCc4ccc5c(c4)CCO5)CC3)C2)c1 ZINC001209143763 1035191376 /nfs/dbraw/zinc/19/13/76/1035191376.db2.gz BUMXHYLSIUFPFU-UHFFFAOYSA-N 2 1 398.572 3.593 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC001209144800 1035192206 /nfs/dbraw/zinc/19/22/06/1035192206.db2.gz RMLQCTQDYDLQPC-OAQYLSRUSA-N 2 1 396.531 3.513 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CCCCCc1ccccc1)CCC2 ZINC001209229506 1035212151 /nfs/dbraw/zinc/21/21/51/1035212151.db2.gz HNUKLJRXAUERHF-UHFFFAOYSA-N 2 1 396.579 3.702 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CCCCCc1ccccc1)CCC2 ZINC001209229506 1035212155 /nfs/dbraw/zinc/21/21/55/1035212155.db2.gz HNUKLJRXAUERHF-UHFFFAOYSA-N 2 1 396.579 3.702 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CCCCCc1ccccc1)CCC2 ZINC001209229506 1035212159 /nfs/dbraw/zinc/21/21/59/1035212159.db2.gz HNUKLJRXAUERHF-UHFFFAOYSA-N 2 1 396.579 3.702 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3ncc4c(n3)C[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161461249 1035235873 /nfs/dbraw/zinc/23/58/73/1035235873.db2.gz JOQXUEWQDCUSQE-VXKWHMMOSA-N 2 1 385.515 3.550 20 0 GHADMP C[NH+](C)Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c2c1OC(F)(F)O2 ZINC001461955222 1069912559 /nfs/dbraw/zinc/91/25/59/1069912559.db2.gz BQMIUWZFQADIDQ-UHFFFAOYSA-N 2 1 395.494 3.520 20 0 GHADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001209379030 1035261882 /nfs/dbraw/zinc/26/18/82/1035261882.db2.gz GRKIOSXEJYZXSO-JTJHWIPRSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001209379030 1035261886 /nfs/dbraw/zinc/26/18/86/1035261886.db2.gz GRKIOSXEJYZXSO-JTJHWIPRSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001209379030 1035261892 /nfs/dbraw/zinc/26/18/92/1035261892.db2.gz GRKIOSXEJYZXSO-JTJHWIPRSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C[C@H](C)O1 ZINC001209379030 1035261896 /nfs/dbraw/zinc/26/18/96/1035261896.db2.gz GRKIOSXEJYZXSO-JTJHWIPRSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)C[C@H](C)O1 ZINC001209383592 1035264828 /nfs/dbraw/zinc/26/48/28/1035264828.db2.gz XHHJYEGBIBGEHZ-QMUALULASA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)C[C@H](C)O1 ZINC001209383592 1035264833 /nfs/dbraw/zinc/26/48/33/1035264833.db2.gz XHHJYEGBIBGEHZ-QMUALULASA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)C[C@H](C)O1 ZINC001209383592 1035264842 /nfs/dbraw/zinc/26/48/42/1035264842.db2.gz XHHJYEGBIBGEHZ-QMUALULASA-N 2 1 390.612 3.651 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209450896 1035277204 /nfs/dbraw/zinc/27/72/04/1035277204.db2.gz VEMLVDZFSZRZAG-QFIPXVFZSA-N 2 1 379.589 3.976 20 0 GHADMP C[NH+]1CCC(Oc2ccnc(N[C@H](c3cccc(F)c3)C3CC[NH2+]CC3)c2)CC1 ZINC001161827300 1035309979 /nfs/dbraw/zinc/30/99/79/1035309979.db2.gz KXZVJQAOXKDWBR-QHCPKHFHSA-N 2 1 398.526 3.847 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(N[C@@H](CC3CCOCC3)c3cccc(F)c3)n2)CC1 ZINC001161838754 1035312691 /nfs/dbraw/zinc/31/26/91/1035312691.db2.gz WSZFLLTVPZUYRI-FQEVSTJZSA-N 2 1 399.514 3.513 20 0 GHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001461988811 1069931023 /nfs/dbraw/zinc/93/10/23/1069931023.db2.gz LBQWDLKJRFHJAV-ZWUBBELISA-N 2 1 384.564 3.999 20 0 GHADMP O=S(=O)(c1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1)C1CC[NH2+]CC1 ZINC001241503917 1035596175 /nfs/dbraw/zinc/59/61/75/1035596175.db2.gz IUDBHVNIWICOLL-UHFFFAOYSA-N 2 1 396.556 3.502 20 0 GHADMP O=S(=O)(c1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1)C1CC[NH2+]CC1 ZINC001241503917 1035596181 /nfs/dbraw/zinc/59/61/81/1035596181.db2.gz IUDBHVNIWICOLL-UHFFFAOYSA-N 2 1 396.556 3.502 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(-c2ccc(Cl)cc2)n1 ZINC001248511563 1035924241 /nfs/dbraw/zinc/92/42/41/1035924241.db2.gz BPCOWDVZOXHKBY-FCHUYYIVSA-N 2 1 384.955 3.612 20 0 GHADMP Fc1ccc2occc2c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001248534709 1035940093 /nfs/dbraw/zinc/94/00/93/1035940093.db2.gz IJOLMJYWNLWNQL-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occc2c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001248534709 1035940100 /nfs/dbraw/zinc/94/01/00/1035940100.db2.gz IJOLMJYWNLWNQL-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occc2c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001248534709 1035940104 /nfs/dbraw/zinc/94/01/04/1035940104.db2.gz IJOLMJYWNLWNQL-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occc2c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001248534709 1035940107 /nfs/dbraw/zinc/94/01/07/1035940107.db2.gz IJOLMJYWNLWNQL-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4nc(Br)sc4c3)C2)CC1 ZINC001248591848 1035976383 /nfs/dbraw/zinc/97/63/83/1035976383.db2.gz CBMLLOJYVSZQNH-UHFFFAOYSA-N 2 1 380.355 3.977 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(CC)[C@@H]1CC[NH+](CC)C1)c1ccc(Cl)cc1 ZINC001248630122 1036008491 /nfs/dbraw/zinc/00/84/91/1036008491.db2.gz XNQCSPKXPKUPLD-WOJBJXKFSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC001248630122 1036008509 /nfs/dbraw/zinc/00/85/09/1036008509.db2.gz XNQCSPKXPKUPLD-WOJBJXKFSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC001248630122 1036008530 /nfs/dbraw/zinc/00/85/30/1036008530.db2.gz XNQCSPKXPKUPLD-WOJBJXKFSA-N 2 1 394.991 3.849 20 0 GHADMP Cn1c(Br)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001248774600 1036131049 /nfs/dbraw/zinc/13/10/49/1036131049.db2.gz BRTIPFBFSHUGQM-UHFFFAOYSA-N 2 1 392.341 3.869 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3cccc(N4CC[NH+](C)CC4)c3)c(C)c2)CC1 ZINC001243667459 1036243575 /nfs/dbraw/zinc/24/35/75/1036243575.db2.gz QCOAKQZICVEVSJ-UHFFFAOYSA-N 2 1 376.548 3.918 20 0 GHADMP COCOc1ccc(C(F)(F)F)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001244636597 1036575497 /nfs/dbraw/zinc/57/54/97/1036575497.db2.gz LENWBNXAAUYWPO-UHFFFAOYSA-N 2 1 377.366 3.690 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC001245998585 1037119279 /nfs/dbraw/zinc/11/92/79/1037119279.db2.gz XJBWWEGATASLCW-KTTLUUMZSA-N 2 1 389.273 3.853 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246023113 1037140813 /nfs/dbraw/zinc/14/08/13/1037140813.db2.gz LRRQKMBSHNHFNW-YADHBBJMSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001246023113 1037140834 /nfs/dbraw/zinc/14/08/34/1037140834.db2.gz LRRQKMBSHNHFNW-YADHBBJMSA-N 2 1 394.987 3.504 20 0 GHADMP CCC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246046980 1037160568 /nfs/dbraw/zinc/16/05/68/1037160568.db2.gz ROBPKALWDDPONW-VQTJNVASSA-N 2 1 391.353 3.592 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001246058377 1037170485 /nfs/dbraw/zinc/17/04/85/1037170485.db2.gz KQZDBELKFGYJPA-RBZQAINGSA-N 2 1 392.568 3.861 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](CC1(O)CC[NH2+]CC1)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001246062228 1037173531 /nfs/dbraw/zinc/17/35/31/1037173531.db2.gz ZSSDBFUZDLIDEH-AGILITTLSA-N 2 1 394.559 3.912 20 0 GHADMP CC(C)C[N@H+](C[C@@H](O)COCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001246069378 1037183254 /nfs/dbraw/zinc/18/32/54/1037183254.db2.gz NKPLXEKVEYASIB-HZPDHXFCSA-N 2 1 389.367 3.581 20 0 GHADMP CC(C)C[N@@H+](C[C@@H](O)COCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001246069378 1037183265 /nfs/dbraw/zinc/18/32/65/1037183265.db2.gz NKPLXEKVEYASIB-HZPDHXFCSA-N 2 1 389.367 3.581 20 0 GHADMP COc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069877 1037183556 /nfs/dbraw/zinc/18/35/56/1037183556.db2.gz YPINETMTFFRZOR-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168729 1037222754 /nfs/dbraw/zinc/22/27/54/1037222754.db2.gz GIWWTRJVEIHPLY-UBFVSLLYSA-N 2 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168729 1037222766 /nfs/dbraw/zinc/22/27/66/1037222766.db2.gz GIWWTRJVEIHPLY-UBFVSLLYSA-N 3 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168729 1037222783 /nfs/dbraw/zinc/22/27/83/1037222783.db2.gz GIWWTRJVEIHPLY-UBFVSLLYSA-N 3 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168727 1037222950 /nfs/dbraw/zinc/22/29/50/1037222950.db2.gz GIWWTRJVEIHPLY-DSNGMDLFSA-N 2 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168727 1037222962 /nfs/dbraw/zinc/22/29/62/1037222962.db2.gz GIWWTRJVEIHPLY-DSNGMDLFSA-N 3 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168727 1037222976 /nfs/dbraw/zinc/22/29/76/1037222976.db2.gz GIWWTRJVEIHPLY-DSNGMDLFSA-N 3 1 377.576 3.852 20 0 GHADMP C[C@@H]1CC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)C[C@@H](C)N1Cc1ccccc1 ZINC001246180814 1037226522 /nfs/dbraw/zinc/22/65/22/1037226522.db2.gz PYNFUEWULHISPX-TXTKFYIRSA-N 2 1 385.596 3.566 20 0 GHADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246202232 1037236373 /nfs/dbraw/zinc/23/63/73/1037236373.db2.gz SQWGSALKFHUWKK-YSZBQJHXSA-N 2 1 380.532 3.728 20 0 GHADMP COC(=O)C[C@H]([NH2+]C1C[C@H](C)[NH2+][C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256459 1037256630 /nfs/dbraw/zinc/25/66/30/1037256630.db2.gz POAWKGGNDWFJTL-BSRJHKFKSA-N 2 1 396.531 3.988 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CC[NH2+]C(C)(C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246254487 1037257054 /nfs/dbraw/zinc/25/70/54/1037257054.db2.gz HXMONLKTFSBMGL-IFMALSPDSA-N 2 1 396.531 3.990 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246362241 1037322465 /nfs/dbraw/zinc/32/24/65/1037322465.db2.gz QWYHFHGLFCLNHA-WOJBJXKFSA-N 2 1 394.401 3.781 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246362172 1037322570 /nfs/dbraw/zinc/32/25/70/1037322570.db2.gz NXLLDXZMOBLSOG-XJUOHMSHSA-N 2 1 385.502 3.930 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)cc1C(F)(F)F ZINC001246367556 1037327556 /nfs/dbraw/zinc/32/75/56/1037327556.db2.gz ABSNQAKUUSBZRA-MAUKXSAKSA-N 2 1 388.474 3.987 20 0 GHADMP COc1ccccc1C1([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC[NH2+]CC1 ZINC001246376646 1037332027 /nfs/dbraw/zinc/33/20/27/1037332027.db2.gz MWNSZODOHRQIAR-HNNXBMFYSA-N 2 1 390.449 3.838 20 0 GHADMP COc1cccc(CC2(N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246374642 1037332390 /nfs/dbraw/zinc/33/23/90/1037332390.db2.gz GGNUFRHUOXZRNP-REWPJTCUSA-N 2 1 393.575 3.613 20 0 GHADMP Fc1ccc(CC2(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246384037 1037345300 /nfs/dbraw/zinc/34/53/00/1037345300.db2.gz LKGGYLYTOGPILL-GOTSBHOMSA-N 3 1 381.539 3.821 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC[NH2+]1 ZINC001246388880 1037350327 /nfs/dbraw/zinc/35/03/27/1037350327.db2.gz NFWZPHOPFRVWMF-VQTJNVASSA-N 2 1 381.499 3.936 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246412018 1037367226 /nfs/dbraw/zinc/36/72/26/1037367226.db2.gz DSAYVFGHSOSQFB-LJQANCHMSA-N 3 1 383.502 3.692 20 0 GHADMP CN1CCC[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246412018 1037367241 /nfs/dbraw/zinc/36/72/41/1037367241.db2.gz DSAYVFGHSOSQFB-LJQANCHMSA-N 2 1 383.502 3.692 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246452745 1037413725 /nfs/dbraw/zinc/41/37/25/1037413725.db2.gz STTWBWVCGHXXNP-CABCVRRESA-N 2 1 384.442 3.606 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246476252 1037424540 /nfs/dbraw/zinc/42/45/40/1037424540.db2.gz YJDSPQVFPOUKGO-BPXKWBHBSA-N 2 1 384.495 3.777 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)C[C@H](CC)[NH2+]1 ZINC001246478523 1037426683 /nfs/dbraw/zinc/42/66/83/1037426683.db2.gz OSMQQAZXRIXLRB-ACDBMABISA-N 2 1 386.561 3.918 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CC1 ZINC001246595528 1037495433 /nfs/dbraw/zinc/49/54/33/1037495433.db2.gz ZYMIPFOBPBPWKZ-ZIMDUQAISA-N 2 1 378.944 3.753 20 0 GHADMP O=C1CC[C@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC001246602762 1037499978 /nfs/dbraw/zinc/49/99/78/1037499978.db2.gz JIWAPJFARPOJLU-UPVQGACJSA-N 2 1 383.580 3.814 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246605656 1037502330 /nfs/dbraw/zinc/50/23/30/1037502330.db2.gz CCJWLKLEKOIRMP-IRQNMHNUSA-N 2 1 390.955 3.911 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246618716 1037509870 /nfs/dbraw/zinc/50/98/70/1037509870.db2.gz KBTPODDJNRLBJO-PKTZIBPZSA-N 2 1 397.607 3.712 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001246629212 1037514458 /nfs/dbraw/zinc/51/44/58/1037514458.db2.gz ZSHYXIUCOHJNIP-IRQNMHNUSA-N 2 1 390.955 3.911 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC001246629212 1037514467 /nfs/dbraw/zinc/51/44/67/1037514467.db2.gz ZSHYXIUCOHJNIP-IRQNMHNUSA-N 2 1 390.955 3.911 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001246631435 1037517635 /nfs/dbraw/zinc/51/76/35/1037517635.db2.gz OZWSNOLXWMNJSA-IBGZPJMESA-N 2 1 398.497 3.968 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001246631435 1037517649 /nfs/dbraw/zinc/51/76/49/1037517649.db2.gz OZWSNOLXWMNJSA-IBGZPJMESA-N 2 1 398.497 3.968 20 0 GHADMP [NH3+][C@]12C[C@H]1CN([C@@H]1CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC001246641866 1037523738 /nfs/dbraw/zinc/52/37/38/1037523738.db2.gz AAMAADSAZHNWIL-QJEZIUSSSA-N 2 1 387.571 3.784 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H](C)Cc1ccccc1OC)CC2 ZINC001246637301 1037523979 /nfs/dbraw/zinc/52/39/79/1037523979.db2.gz NINIURZSMDAONB-SFHVURJKSA-N 2 1 380.532 3.772 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CCc3cc(Cl)cc(Cl)c3C1)C2 ZINC001246656927 1037531880 /nfs/dbraw/zinc/53/18/80/1037531880.db2.gz PFOPEHHAJRJNAC-RBOXIYTFSA-N 2 1 379.253 3.934 20 0 GHADMP O=C(C[C@@H]1CC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc21)NCC1CC1 ZINC001246656738 1037531981 /nfs/dbraw/zinc/53/19/81/1037531981.db2.gz DPNSLHSSEBCEKA-RTWAWAEBSA-N 2 1 395.591 3.566 20 0 GHADMP CCC1CCC(C2CCC([N@@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)CC2)CC1 ZINC001246670062 1037536598 /nfs/dbraw/zinc/53/65/98/1037536598.db2.gz VUXCOHKGKSEKJD-PMNLSXDQSA-N 2 1 378.601 3.843 20 0 GHADMP CCC1CCC(C2CCC([N@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)CC2)CC1 ZINC001246670062 1037536602 /nfs/dbraw/zinc/53/66/02/1037536602.db2.gz VUXCOHKGKSEKJD-PMNLSXDQSA-N 2 1 378.601 3.843 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246702881 1037555622 /nfs/dbraw/zinc/55/56/22/1037555622.db2.gz UHTQWNUYMYODML-MSOLQXFVSA-N 2 1 380.374 3.738 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246710703 1037561839 /nfs/dbraw/zinc/56/18/39/1037561839.db2.gz SRNPHADTNVPKJT-WOIUINJBSA-N 2 1 389.609 3.987 20 0 GHADMP c1ccc(N2CCC[C@]3(C2)C[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CCO3)cc1 ZINC001246714067 1037564018 /nfs/dbraw/zinc/56/40/18/1037564018.db2.gz IPALTYIOZSXFNM-DEOSSOPVSA-N 2 1 383.580 3.670 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)C[C@H](CC)[NH2+]1 ZINC001246716726 1037569609 /nfs/dbraw/zinc/56/96/09/1037569609.db2.gz GQPRRBXGMHDMOP-ACDBMABISA-N 2 1 382.527 3.993 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CC[NH2+]1 ZINC001246727147 1037577375 /nfs/dbraw/zinc/57/73/75/1037577375.db2.gz USEGMPSFMHIKSI-JFYQVNSESA-N 2 1 375.601 3.943 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CC[NH2+]1 ZINC001246727144 1037577708 /nfs/dbraw/zinc/57/77/08/1037577708.db2.gz USEGMPSFMHIKSI-FBPBVXOASA-N 2 1 375.601 3.943 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246736747 1037581178 /nfs/dbraw/zinc/58/11/78/1037581178.db2.gz JBYYWBHOUWKZDE-YUMYIRISSA-N 2 1 378.601 3.841 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC[NH2+]1 ZINC001246743329 1037585604 /nfs/dbraw/zinc/58/56/04/1037585604.db2.gz GBFSCJBSEVVBIR-ZVVDCOBXSA-N 2 1 391.531 3.534 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246750983 1037591067 /nfs/dbraw/zinc/59/10/67/1037591067.db2.gz ZXOXOUWOMBIDGS-MBPVOVBZSA-N 2 1 399.535 3.869 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246750983 1037591074 /nfs/dbraw/zinc/59/10/74/1037591074.db2.gz ZXOXOUWOMBIDGS-MBPVOVBZSA-N 2 1 399.535 3.869 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246757956 1037599173 /nfs/dbraw/zinc/59/91/73/1037599173.db2.gz NHCSKOWCMKESOE-JLLPCOHGSA-N 2 1 384.564 3.635 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246757956 1037599182 /nfs/dbraw/zinc/59/91/82/1037599182.db2.gz NHCSKOWCMKESOE-JLLPCOHGSA-N 2 1 384.564 3.635 20 0 GHADMP O=C1C[C@]2(CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)CN1c1cccc(F)c1 ZINC001246760159 1037601153 /nfs/dbraw/zinc/60/11/53/1037601153.db2.gz UBVXITITOVUTEQ-QHCPKHFHSA-N 2 1 385.527 3.567 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CC[NH2+]1 ZINC001246761660 1037604559 /nfs/dbraw/zinc/60/45/59/1037604559.db2.gz ULEYXXBWRHSNSO-CLRGLAINSA-N 2 1 387.543 3.889 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246820571 1037652058 /nfs/dbraw/zinc/65/20/58/1037652058.db2.gz WMUBBHODXFJJLL-LPHOPBHVSA-N 2 1 382.474 3.535 20 0 GHADMP COc1ccc(C(=O)C2CC[NH+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246832230 1037663679 /nfs/dbraw/zinc/66/36/79/1037663679.db2.gz FWJYNPQPQJIBIC-PKTZIBPZSA-N 2 1 392.543 3.953 20 0 GHADMP CC1(C)C[C@@H](N2CC[NH2+]C[C@H]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001246837509 1037665643 /nfs/dbraw/zinc/66/56/43/1037665643.db2.gz ODHYJVLYPMASKQ-BJKOFHAPSA-N 2 1 377.576 3.946 20 0 GHADMP COc1ccc([C@@H](C[N@@H+](C)C2CCC3(C[NH2+]C3)CC2)C2(O)CCCCC2)cc1 ZINC001246873106 1037688091 /nfs/dbraw/zinc/68/80/91/1037688091.db2.gz DRLRLQVHKMCBEG-JOCHJYFZSA-N 2 1 386.580 3.938 20 0 GHADMP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001246882365 1037699022 /nfs/dbraw/zinc/69/90/22/1037699022.db2.gz HWHWSYBWYUUGFD-WIYYLYMNSA-N 2 1 382.573 3.976 20 0 GHADMP Clc1ccc([C@@]23C[C@@H]2C[N@H+](C2CCC4(CC2)C[NH2+]CCO4)C3)cc1Cl ZINC001246890437 1037706764 /nfs/dbraw/zinc/70/67/64/1037706764.db2.gz FOTGPLKCONVYBR-FSROGBMZSA-N 2 1 381.347 3.868 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904237 1037715189 /nfs/dbraw/zinc/71/51/89/1037715189.db2.gz UQPRVJJDAWIMGX-QRFRQXIXSA-N 2 1 376.516 3.981 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904237 1037715221 /nfs/dbraw/zinc/71/52/21/1037715221.db2.gz UQPRVJJDAWIMGX-QRFRQXIXSA-N 2 1 376.516 3.981 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCN1 ZINC001246909055 1037717235 /nfs/dbraw/zinc/71/72/35/1037717235.db2.gz ZBPGVZHJSGEDDS-SLFFLAALSA-N 2 1 381.486 3.657 20 0 GHADMP C[NH+]1CCC(C[N@@H+](CCCn2ccnc2)Cc2c(F)cccc2Cl)CC1 ZINC001462205575 1070082853 /nfs/dbraw/zinc/08/28/53/1070082853.db2.gz HQCMSFVLEVCGLK-UHFFFAOYSA-N 2 1 378.923 3.910 20 0 GHADMP CCOCC[N@@H+]([C@H](C)CCc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001246949351 1037753813 /nfs/dbraw/zinc/75/38/13/1037753813.db2.gz JOXLNWFQYRQBOU-MRXNPFEDSA-N 2 1 383.374 3.861 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246952453 1037755060 /nfs/dbraw/zinc/75/50/60/1037755060.db2.gz SSNHPJCFGUJTQU-NQIIRXRSSA-N 2 1 376.516 3.810 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N(Cc2ccccn2)[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001246951305 1037757007 /nfs/dbraw/zinc/75/70/07/1037757007.db2.gz GSAIQESSFSAGJK-FQUZAXHOSA-N 2 1 390.575 3.831 20 0 GHADMP C[C@H]1C[C@H](N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246952695 1037759147 /nfs/dbraw/zinc/75/91/47/1037759147.db2.gz MBCGUGMBMCBWAY-ZTCOLXNVSA-N 2 1 378.564 3.689 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)C1 ZINC001246956764 1037769595 /nfs/dbraw/zinc/76/95/95/1037769595.db2.gz UUYKQUSTSLFYHG-UTKZUKDTSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246958767 1037775360 /nfs/dbraw/zinc/77/53/60/1037775360.db2.gz GWHWVUZBYCWRDM-XLIONFOSSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3ccc(C)cc3C2)c1 ZINC001246959741 1037776061 /nfs/dbraw/zinc/77/60/61/1037776061.db2.gz SGSSKBJFLYWEJX-DEOSSOPVSA-N 2 1 392.543 3.893 20 0 GHADMP Fc1cccc(F)c1CN(C1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246966679 1037789973 /nfs/dbraw/zinc/78/99/73/1037789973.db2.gz WFLQXFBXMVOYNG-LJQANCHMSA-N 2 1 377.523 3.926 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)cc1 ZINC001246973456 1037797718 /nfs/dbraw/zinc/79/77/18/1037797718.db2.gz IYWVUBAZXVRFKB-HMXGKDEJSA-N 2 1 399.579 3.592 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+](C[C@H]3CCC[NH2+]C3)C3CC3)CC[C@H]2C1 ZINC001246976993 1037803395 /nfs/dbraw/zinc/80/33/95/1037803395.db2.gz XIWBGTASYWJOEM-CHLMOITFSA-N 2 1 395.591 3.781 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246984558 1037809768 /nfs/dbraw/zinc/80/97/68/1037809768.db2.gz MBUBBPGLXRKTGE-VTYHHJSWSA-N 2 1 379.552 3.575 20 0 GHADMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)CC[NH2+]1 ZINC001246988024 1037811528 /nfs/dbraw/zinc/81/15/28/1037811528.db2.gz WHGVGGNYGIQERD-RBBKRZOGSA-N 2 1 379.552 3.576 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246991448 1037814520 /nfs/dbraw/zinc/81/45/20/1037814520.db2.gz AZPSAAMNUHZPGP-LGKPFJOYSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246991448 1037814538 /nfs/dbraw/zinc/81/45/38/1037814538.db2.gz AZPSAAMNUHZPGP-LGKPFJOYSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246991453 1037815622 /nfs/dbraw/zinc/81/56/22/1037815622.db2.gz AZPSAAMNUHZPGP-XBYSBRQOSA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246991453 1037815635 /nfs/dbraw/zinc/81/56/35/1037815635.db2.gz AZPSAAMNUHZPGP-XBYSBRQOSA-N 2 1 396.506 3.816 20 0 GHADMP COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC001232366843 1038142304 /nfs/dbraw/zinc/14/23/04/1038142304.db2.gz QIOSQYNHRMXIKK-JOCHJYFZSA-N 2 1 380.536 3.569 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001232434562 1038216326 /nfs/dbraw/zinc/21/63/26/1038216326.db2.gz PXCAWVIMJIFBSZ-WOJBJXKFSA-N 2 1 385.552 3.758 20 0 GHADMP CC[NH+]1CCC(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CC1 ZINC001247716399 1038345296 /nfs/dbraw/zinc/34/52/96/1038345296.db2.gz YBHLSFRKRJZCBQ-LJQANCHMSA-N 2 1 381.455 3.807 20 0 GHADMP C[NH+]1CCN(c2ccccc2-c2noc([C@@H]3CC[N@H+]3C3CCCCC3)n2)CC1 ZINC001248035358 1038549582 /nfs/dbraw/zinc/54/95/82/1038549582.db2.gz XQCQIENLAYKRKY-FQEVSTJZSA-N 2 1 381.524 3.568 20 0 GHADMP COc1cc(O)cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001232802018 1038564272 /nfs/dbraw/zinc/56/42/72/1038564272.db2.gz OZQBQVIJPAQIHF-UHFFFAOYSA-N 2 1 381.520 3.672 20 0 GHADMP COc1ncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c2ccccc21 ZINC001232950615 1038728330 /nfs/dbraw/zinc/72/83/30/1038728330.db2.gz SMUPEHICFHHNLK-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1ncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c2ccccc21 ZINC001232950615 1038728334 /nfs/dbraw/zinc/72/83/34/1038728334.db2.gz SMUPEHICFHHNLK-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1ncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c2ccccc21 ZINC001232950615 1038728340 /nfs/dbraw/zinc/72/83/40/1038728340.db2.gz SMUPEHICFHHNLK-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP COc1ncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c2ccccc21 ZINC001232950615 1038728344 /nfs/dbraw/zinc/72/83/44/1038728344.db2.gz SMUPEHICFHHNLK-CTNGQTDRSA-N 2 1 388.515 3.592 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccc(C5CC5)cc4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001232983366 1038750140 /nfs/dbraw/zinc/75/01/40/1038750140.db2.gz XXQFLFCQHGLYEW-SGNDLWITSA-N 2 1 391.563 3.531 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccc(C5CC5)cc4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001232983366 1038750150 /nfs/dbraw/zinc/75/01/50/1038750150.db2.gz XXQFLFCQHGLYEW-SGNDLWITSA-N 2 1 391.563 3.531 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[N@H+](Cc4ccc(C5CC5)cc4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001232983366 1038750158 /nfs/dbraw/zinc/75/01/58/1038750158.db2.gz XXQFLFCQHGLYEW-SGNDLWITSA-N 2 1 391.563 3.531 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4ccc(C5CC5)cc4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001232983366 1038750166 /nfs/dbraw/zinc/75/01/66/1038750166.db2.gz XXQFLFCQHGLYEW-SGNDLWITSA-N 2 1 391.563 3.531 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[NH+](Cc4nc5ccccn5n4)CC3)CC2)cc1 ZINC001233072166 1038836344 /nfs/dbraw/zinc/83/63/44/1038836344.db2.gz BWOKWXJGHNEECD-UHFFFAOYSA-N 2 1 375.520 3.608 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001252063872 1038838700 /nfs/dbraw/zinc/83/87/00/1038838700.db2.gz WLKSAONDMBPFEI-VIZSFHNOSA-N 2 1 398.595 3.544 20 0 GHADMP CN(C)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c(F)n1 ZINC001233117297 1038904775 /nfs/dbraw/zinc/90/47/75/1038904775.db2.gz SWBODINIVCYLOG-UHFFFAOYSA-N 2 1 388.556 3.836 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1C ZINC001233160208 1038935093 /nfs/dbraw/zinc/93/50/93/1038935093.db2.gz RUDXKDNKBLIPRD-QHCPKHFHSA-N 2 1 379.548 3.954 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383846 1038968665 /nfs/dbraw/zinc/96/86/65/1038968665.db2.gz XXDBIQWAFXAEJN-FDFHNCONSA-N 2 1 382.548 3.918 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383846 1038968666 /nfs/dbraw/zinc/96/86/66/1038968666.db2.gz XXDBIQWAFXAEJN-FDFHNCONSA-N 2 1 382.548 3.918 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383846 1038968669 /nfs/dbraw/zinc/96/86/69/1038968669.db2.gz XXDBIQWAFXAEJN-FDFHNCONSA-N 2 1 382.548 3.918 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001233299422 1039092013 /nfs/dbraw/zinc/09/20/13/1039092013.db2.gz YPSQUVMALIANCL-ZEWVGQQJSA-N 2 1 390.527 3.971 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001233299422 1039092032 /nfs/dbraw/zinc/09/20/32/1039092032.db2.gz YPSQUVMALIANCL-ZEWVGQQJSA-N 2 1 390.527 3.971 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001233299422 1039092048 /nfs/dbraw/zinc/09/20/48/1039092048.db2.gz YPSQUVMALIANCL-ZEWVGQQJSA-N 2 1 390.527 3.971 20 0 GHADMP Cc1cnsc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001233319730 1039113668 /nfs/dbraw/zinc/11/36/68/1039113668.db2.gz ZRZLMXZHJFBJCF-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252751852 1039132990 /nfs/dbraw/zinc/13/29/90/1039132990.db2.gz WYVUULGOGRFLAQ-HXUWFJFHSA-N 2 1 397.563 3.666 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(N)cc1Cl)CC2 ZINC001233374931 1039196363 /nfs/dbraw/zinc/19/63/63/1039196363.db2.gz WBHSWOYOAXPLGN-SFHVURJKSA-N 2 1 389.927 3.771 20 0 GHADMP O[C@]1(C[NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947703 1039291962 /nfs/dbraw/zinc/29/19/62/1039291962.db2.gz CXYLLFJGPZRTFM-RPWUZVMVSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947703 1039291971 /nfs/dbraw/zinc/29/19/71/1039291971.db2.gz CXYLLFJGPZRTFM-RPWUZVMVSA-N 2 1 398.522 3.520 20 0 GHADMP COc1ccccc1CC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC001252950162 1039293353 /nfs/dbraw/zinc/29/33/53/1039293353.db2.gz FFEZOHFYJBUTTL-VWLOTQADSA-N 2 1 394.559 3.635 20 0 GHADMP COc1ccccc1CC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001252950162 1039293365 /nfs/dbraw/zinc/29/33/65/1039293365.db2.gz FFEZOHFYJBUTTL-VWLOTQADSA-N 2 1 394.559 3.635 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001233605544 1039476777 /nfs/dbraw/zinc/47/67/77/1039476777.db2.gz HMLJQXCILXVRBS-GGAORHGYSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001233605544 1039476790 /nfs/dbraw/zinc/47/67/90/1039476790.db2.gz HMLJQXCILXVRBS-GGAORHGYSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001233605544 1039476800 /nfs/dbraw/zinc/47/68/00/1039476800.db2.gz HMLJQXCILXVRBS-GGAORHGYSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001233605544 1039476808 /nfs/dbraw/zinc/47/68/08/1039476808.db2.gz HMLJQXCILXVRBS-GGAORHGYSA-N 2 1 392.547 3.527 20 0 GHADMP O[C@H](C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360459 1039571901 /nfs/dbraw/zinc/57/19/01/1039571901.db2.gz GDGPERISXTVDPH-TXTKFYIRSA-N 2 1 386.486 3.842 20 0 GHADMP O[C@H](C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360459 1039571917 /nfs/dbraw/zinc/57/19/17/1039571917.db2.gz GDGPERISXTVDPH-TXTKFYIRSA-N 2 1 386.486 3.842 20 0 GHADMP O[C@H](C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC001253360459 1039571934 /nfs/dbraw/zinc/57/19/34/1039571934.db2.gz GDGPERISXTVDPH-TXTKFYIRSA-N 2 1 386.486 3.842 20 0 GHADMP COc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4scnc4C)(C2)CCC3)s1 ZINC001278720363 1039620653 /nfs/dbraw/zinc/62/06/53/1039620653.db2.gz HNJFTBYOSNLCNE-ZWKOTPCHSA-N 2 1 378.567 3.641 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](C[C@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253488215 1039668677 /nfs/dbraw/zinc/66/86/77/1039668677.db2.gz BWMAFBGKJKMYDR-XQBPLPMBSA-N 2 1 378.988 3.933 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](C[C@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253488215 1039668685 /nfs/dbraw/zinc/66/86/85/1039668685.db2.gz BWMAFBGKJKMYDR-XQBPLPMBSA-N 2 1 378.988 3.933 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](C[C@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253488215 1039668699 /nfs/dbraw/zinc/66/86/99/1039668699.db2.gz BWMAFBGKJKMYDR-XQBPLPMBSA-N 2 1 378.988 3.933 20 0 GHADMP C[N@@H+](CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254043469 1039971153 /nfs/dbraw/zinc/97/11/53/1039971153.db2.gz KKOKEXIUBXUMGB-UHFFFAOYSA-N 3 1 399.623 3.742 20 0 GHADMP COc1ccccc1Sc1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001234330190 1039971441 /nfs/dbraw/zinc/97/14/41/1039971441.db2.gz PCQOFNAEKPGYLV-UHFFFAOYSA-N 2 1 399.604 3.916 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234394789 1040000023 /nfs/dbraw/zinc/00/00/23/1040000023.db2.gz BKNBEQDYWSAPHT-YADHBBJMSA-N 2 1 386.584 3.603 20 0 GHADMP O=C(C1CC[NH+](C2CCC3(CC3)CC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001254447909 1040236849 /nfs/dbraw/zinc/23/68/49/1040236849.db2.gz MFGPBYMPIBTQGN-UHFFFAOYSA-N 2 1 395.591 3.766 20 0 GHADMP CCC[C@@H](CCc1ccccc1)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001254493600 1040279681 /nfs/dbraw/zinc/27/96/81/1040279681.db2.gz LYXGVOXDODLIQR-QHCPKHFHSA-N 2 1 395.591 3.612 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254620923 1040393470 /nfs/dbraw/zinc/39/34/70/1040393470.db2.gz XIZCJAPMZKDRTL-AQYVVDRMSA-N 2 1 382.527 3.962 20 0 GHADMP FC(F)(F)c1ccc(Oc2ccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cc2)cc1 ZINC001234986981 1040483498 /nfs/dbraw/zinc/48/34/98/1040483498.db2.gz FLFDNPLVCLDTCH-HXUWFJFHSA-N 2 1 391.437 3.635 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001254758518 1040519901 /nfs/dbraw/zinc/51/99/01/1040519901.db2.gz RDTCZZUZBFVMBU-OTWHNJEPSA-N 2 1 379.589 3.734 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001235210545 1040693615 /nfs/dbraw/zinc/69/36/15/1040693615.db2.gz LXMBKJCJGPRKEH-YRWFTTLQSA-N 2 1 392.421 3.682 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001235210545 1040693624 /nfs/dbraw/zinc/69/36/24/1040693624.db2.gz LXMBKJCJGPRKEH-YRWFTTLQSA-N 2 1 392.421 3.682 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001254995839 1040716723 /nfs/dbraw/zinc/71/67/23/1040716723.db2.gz DZXQHHNDPQPDKU-UWJYYQICSA-N 2 1 399.966 3.758 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1c[nH]c3cc(C)ccc13)C2 ZINC001235326489 1040796379 /nfs/dbraw/zinc/79/63/79/1040796379.db2.gz YVOSGEMROCFVMM-XUZZJYLKSA-N 2 1 395.547 3.621 20 0 GHADMP COC(=O)c1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255129962 1040824809 /nfs/dbraw/zinc/82/48/09/1040824809.db2.gz OOWYIZMVQQQQJF-NUNAXRQHSA-N 2 1 378.516 3.801 20 0 GHADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136596 1040839489 /nfs/dbraw/zinc/83/94/89/1040839489.db2.gz MLUURPKXGRJGJB-USYVTKNRSA-N 2 1 382.470 3.817 20 0 GHADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255136596 1040839496 /nfs/dbraw/zinc/83/94/96/1040839496.db2.gz MLUURPKXGRJGJB-USYVTKNRSA-N 2 1 382.470 3.817 20 0 GHADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255136596 1040839508 /nfs/dbraw/zinc/83/95/08/1040839508.db2.gz MLUURPKXGRJGJB-USYVTKNRSA-N 2 1 382.470 3.817 20 0 GHADMP OC[C@@H]1[C@H](C(F)(F)F)CCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255136596 1040839518 /nfs/dbraw/zinc/83/95/18/1040839518.db2.gz MLUURPKXGRJGJB-USYVTKNRSA-N 2 1 382.470 3.817 20 0 GHADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137796 1040843297 /nfs/dbraw/zinc/84/32/97/1040843297.db2.gz XOCGHHHZSQVEEJ-MYDTUXCISA-N 2 1 383.580 3.762 20 0 GHADMP CCN(CC)C(=O)[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137796 1040843303 /nfs/dbraw/zinc/84/33/03/1040843303.db2.gz XOCGHHHZSQVEEJ-MYDTUXCISA-N 2 1 383.580 3.762 20 0 GHADMP CCN(CC)C(=O)[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137796 1040843309 /nfs/dbraw/zinc/84/33/09/1040843309.db2.gz XOCGHHHZSQVEEJ-MYDTUXCISA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@@H]21 ZINC001255138829 1040844044 /nfs/dbraw/zinc/84/40/44/1040844044.db2.gz HPZGPKSZSKOSJR-DJCPXJLLSA-N 2 1 395.591 3.761 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@@H]21 ZINC001255138829 1040844062 /nfs/dbraw/zinc/84/40/62/1040844062.db2.gz HPZGPKSZSKOSJR-DJCPXJLLSA-N 2 1 395.591 3.761 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@@H]21 ZINC001255138829 1040844071 /nfs/dbraw/zinc/84/40/71/1040844071.db2.gz HPZGPKSZSKOSJR-DJCPXJLLSA-N 2 1 395.591 3.761 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc(C)c1OCCO ZINC001235362256 1040845462 /nfs/dbraw/zinc/84/54/62/1040845462.db2.gz IKTDOHCUFKWFBF-UHFFFAOYSA-N 2 1 398.547 3.756 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)CC1 ZINC001235364093 1040853597 /nfs/dbraw/zinc/85/35/97/1040853597.db2.gz KYLZIRRJZRROEI-RKONGDRVSA-N 2 1 384.564 3.609 20 0 GHADMP O=C(C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCCC1 ZINC001255145949 1040859432 /nfs/dbraw/zinc/85/94/32/1040859432.db2.gz XYAVIUDBKFDJAF-BKFWDETESA-N 2 1 395.591 3.907 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151031 1040870439 /nfs/dbraw/zinc/87/04/39/1040870439.db2.gz QXJUBBGMBJUZPB-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151031 1040870453 /nfs/dbraw/zinc/87/04/53/1040870453.db2.gz QXJUBBGMBJUZPB-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151031 1040870469 /nfs/dbraw/zinc/87/04/69/1040870469.db2.gz QXJUBBGMBJUZPB-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151031 1040870482 /nfs/dbraw/zinc/87/04/82/1040870482.db2.gz QXJUBBGMBJUZPB-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151030 1040872130 /nfs/dbraw/zinc/87/21/30/1040872130.db2.gz QXJUBBGMBJUZPB-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151030 1040872135 /nfs/dbraw/zinc/87/21/35/1040872135.db2.gz QXJUBBGMBJUZPB-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151030 1040872137 /nfs/dbraw/zinc/87/21/37/1040872137.db2.gz QXJUBBGMBJUZPB-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151030 1040872141 /nfs/dbraw/zinc/87/21/41/1040872141.db2.gz QXJUBBGMBJUZPB-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc(-c4cncnc4)cc2)CC3)cc1 ZINC001235375170 1040887717 /nfs/dbraw/zinc/88/77/17/1040887717.db2.gz ZARDHNKHDIHLCY-DQEYMECFSA-N 2 1 384.527 3.897 20 0 GHADMP Cc1nc(C(F)(F)F)ccc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377991 1040894349 /nfs/dbraw/zinc/89/43/49/1040894349.db2.gz YVVKQWBTGZBSNS-QUCCMNQESA-N 2 1 375.438 3.988 20 0 GHADMP Cc1nc(C(F)(F)F)ccc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377991 1040894365 /nfs/dbraw/zinc/89/43/65/1040894365.db2.gz YVVKQWBTGZBSNS-QUCCMNQESA-N 2 1 375.438 3.988 20 0 GHADMP COc1ccccc1Sc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1 ZINC001235378766 1040896188 /nfs/dbraw/zinc/89/61/88/1040896188.db2.gz JUSHKXJXYZRUGP-DNVFCKCGSA-N 2 1 396.556 3.799 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1OC(F)F ZINC001235379683 1040900274 /nfs/dbraw/zinc/90/02/74/1040900274.db2.gz GWJVICDLGYQLGL-GCJKJVERSA-N 2 1 388.458 3.876 20 0 GHADMP COc1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1OC(F)F ZINC001235379683 1040900276 /nfs/dbraw/zinc/90/02/76/1040900276.db2.gz GWJVICDLGYQLGL-GCJKJVERSA-N 2 1 388.458 3.876 20 0 GHADMP CN(c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1)c1ccccc1F ZINC001235380996 1040901638 /nfs/dbraw/zinc/90/16/38/1040901638.db2.gz YQTZRBXBWWHUIZ-JXHRLWIKSA-N 2 1 381.495 3.546 20 0 GHADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c2)cc1 ZINC001235397993 1040911942 /nfs/dbraw/zinc/91/19/42/1040911942.db2.gz SCMFCJKQVYIJEV-NHCUHLMSSA-N 2 1 382.479 3.649 20 0 GHADMP CSc1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(NC2CCCC2)n1 ZINC001235427382 1040928431 /nfs/dbraw/zinc/92/84/31/1040928431.db2.gz RFSOOIAUBBNFER-IAGOWNOFSA-N 2 1 389.613 3.765 20 0 GHADMP Ic1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235427854 1040928601 /nfs/dbraw/zinc/92/86/01/1040928601.db2.gz UDNKSDDUJMSEIF-CVEARBPZSA-N 2 1 384.305 3.503 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255254923 1040928847 /nfs/dbraw/zinc/92/88/47/1040928847.db2.gz PBWWZBFENNOXMG-NYZKWMLCSA-N 2 1 388.552 3.889 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OCCCOC ZINC001235431045 1040931317 /nfs/dbraw/zinc/93/13/17/1040931317.db2.gz UDHLHPOBJUEXPD-SFTDATJTSA-N 2 1 390.568 3.712 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235491478 1040960521 /nfs/dbraw/zinc/96/05/21/1040960521.db2.gz RKTBAUOCSQRCMK-QHCPKHFHSA-N 2 1 387.543 3.563 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001255363910 1040963414 /nfs/dbraw/zinc/96/34/14/1040963414.db2.gz BLOLBGKAHYOAGT-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001255363910 1040963415 /nfs/dbraw/zinc/96/34/15/1040963415.db2.gz BLOLBGKAHYOAGT-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001255363910 1040963416 /nfs/dbraw/zinc/96/34/16/1040963416.db2.gz BLOLBGKAHYOAGT-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001255363910 1040963417 /nfs/dbraw/zinc/96/34/17/1040963417.db2.gz BLOLBGKAHYOAGT-UORUAJHFSA-N 2 1 399.579 3.736 20 0 GHADMP C[C@H]1CNCC(F)(F)[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235524579 1040975306 /nfs/dbraw/zinc/97/53/06/1040975306.db2.gz AIAYESDXSXVCIN-WMZOPIPTSA-N 2 1 383.552 3.527 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001235524579 1040975310 /nfs/dbraw/zinc/97/53/10/1040975310.db2.gz AIAYESDXSXVCIN-WMZOPIPTSA-N 3 1 383.552 3.527 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235524579 1040975313 /nfs/dbraw/zinc/97/53/13/1040975313.db2.gz AIAYESDXSXVCIN-WMZOPIPTSA-N 3 1 383.552 3.527 20 0 GHADMP Fc1cccnc1C1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCOCC1 ZINC001255394326 1040982539 /nfs/dbraw/zinc/98/25/39/1040982539.db2.gz ZXJOOIAITOBKKI-NRFANRHFSA-N 2 1 397.538 3.913 20 0 GHADMP O=C1NCCCN1c1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255394232 1040982575 /nfs/dbraw/zinc/98/25/75/1040982575.db2.gz YLHYXCDGTMXLRJ-JOCHJYFZSA-N 2 1 392.547 3.751 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](N3CCC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985781 /nfs/dbraw/zinc/98/57/81/1040985781.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](N3CCC[N@H+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985787 /nfs/dbraw/zinc/98/57/87/1040985787.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](N3CCC[N@@H+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985791 /nfs/dbraw/zinc/98/57/91/1040985791.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985793 /nfs/dbraw/zinc/98/57/93/1040985793.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985797 /nfs/dbraw/zinc/98/57/97/1040985797.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985798 /nfs/dbraw/zinc/98/57/98/1040985798.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399501 1040985811 /nfs/dbraw/zinc/98/58/11/1040985811.db2.gz SXPODVWCBIBQFZ-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255401472 1040987317 /nfs/dbraw/zinc/98/73/17/1040987317.db2.gz VLYBTBVQWPMXFD-MZKRTTBSSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255401472 1040987325 /nfs/dbraw/zinc/98/73/25/1040987325.db2.gz VLYBTBVQWPMXFD-MZKRTTBSSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)N[C@]12C[C@H]1C[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255401472 1040987328 /nfs/dbraw/zinc/98/73/28/1040987328.db2.gz VLYBTBVQWPMXFD-MZKRTTBSSA-N 2 1 385.552 3.640 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404985 1040992086 /nfs/dbraw/zinc/99/20/86/1040992086.db2.gz VFFOXGDZFBVILH-BWKNWUBXSA-N 2 1 389.543 3.661 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404985 1040992090 /nfs/dbraw/zinc/99/20/90/1040992090.db2.gz VFFOXGDZFBVILH-BWKNWUBXSA-N 2 1 389.543 3.661 20 0 GHADMP CN1c2ccccc2[C@@]2(CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404985 1040992092 /nfs/dbraw/zinc/99/20/92/1040992092.db2.gz VFFOXGDZFBVILH-BWKNWUBXSA-N 2 1 389.543 3.661 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](c3nnc(C4CCN(c5cc[nH+]cc5)CC4)o3)C2)cc1 ZINC001255414678 1041006460 /nfs/dbraw/zinc/00/64/60/1041006460.db2.gz NIBQYJGFGMFKBR-HXUWFJFHSA-N 2 1 389.503 3.838 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235688415 1041158921 /nfs/dbraw/zinc/15/89/21/1041158921.db2.gz PUTBIEIAPOOFLS-HXUWFJFHSA-N 2 1 391.515 3.797 20 0 GHADMP COc1c(Br)ccc(F)c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235705362 1041184086 /nfs/dbraw/zinc/18/40/86/1041184086.db2.gz GFWVFIGQYHKZNT-UHFFFAOYSA-N 2 1 385.321 3.808 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713277 1041239147 /nfs/dbraw/zinc/23/91/47/1041239147.db2.gz DDSXFNOBWHWSHQ-FUMNGEBKSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713277 1041239162 /nfs/dbraw/zinc/23/91/62/1041239162.db2.gz DDSXFNOBWHWSHQ-FUMNGEBKSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713277 1041239173 /nfs/dbraw/zinc/23/91/73/1041239173.db2.gz DDSXFNOBWHWSHQ-FUMNGEBKSA-N 2 1 397.485 3.725 20 0 GHADMP [NH3+]CCNC(=O)c1cccc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC001235791652 1041285381 /nfs/dbraw/zinc/28/53/81/1041285381.db2.gz BIVOLOOTGBFZLG-DEOSSOPVSA-N 2 1 385.511 3.523 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)CSc3ccc(C)cc3)CC2)C1 ZINC001255770884 1041285731 /nfs/dbraw/zinc/28/57/31/1041285731.db2.gz PNVWUOSMIGFZDO-RTBURBONSA-N 2 1 390.593 3.825 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)CSc3ccc(C)cc3)CC2)C1 ZINC001255770884 1041285742 /nfs/dbraw/zinc/28/57/42/1041285742.db2.gz PNVWUOSMIGFZDO-RTBURBONSA-N 2 1 390.593 3.825 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001255789938 1041297471 /nfs/dbraw/zinc/29/74/71/1041297471.db2.gz FEGAQRLOGQAZMF-QFIPXVFZSA-N 2 1 393.575 3.936 20 0 GHADMP C[N@@H+](CCc1ccccc1Cl)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235839031 1041366165 /nfs/dbraw/zinc/36/61/65/1041366165.db2.gz HJWGNLIWSNXQMD-UHFFFAOYSA-N 2 1 383.927 3.524 20 0 GHADMP O=C1OC[C@@H]2[C@H]([N@H+](CCC[NH2+]C3CCCCC3)Cc3ccccc3)CCCN12 ZINC001235912598 1041425490 /nfs/dbraw/zinc/42/54/90/1041425490.db2.gz FZFMOBVYCLGVFD-FGZHOGPDSA-N 2 1 385.552 3.784 20 0 GHADMP O=C1OC[C@@H]2[C@H]([N@@H+](CCC[NH2+]C3CCCCC3)Cc3ccccc3)CCCN12 ZINC001235912598 1041425502 /nfs/dbraw/zinc/42/55/02/1041425502.db2.gz FZFMOBVYCLGVFD-FGZHOGPDSA-N 2 1 385.552 3.784 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001255961785 1041441236 /nfs/dbraw/zinc/44/12/36/1041441236.db2.gz DCLKDORKVNULAD-YADARESESA-N 2 1 394.563 3.738 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001255961785 1041441249 /nfs/dbraw/zinc/44/12/49/1041441249.db2.gz DCLKDORKVNULAD-YADARESESA-N 2 1 394.563 3.738 20 0 GHADMP COCC[N@@H+](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C1CC[NH2+]CC1 ZINC001235942538 1041447562 /nfs/dbraw/zinc/44/75/62/1041447562.db2.gz FJKSDOUKFVUCEM-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001235947842 1041454048 /nfs/dbraw/zinc/45/40/48/1041454048.db2.gz LLRKQFQNCJQFOM-JSGCOSHPSA-N 2 1 378.294 3.606 20 0 GHADMP CC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001235949190 1041454852 /nfs/dbraw/zinc/45/48/52/1041454852.db2.gz ZBPDUVWQWWBOBK-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP CCN(Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235949190 1041454865 /nfs/dbraw/zinc/45/48/65/1041454865.db2.gz ZBPDUVWQWWBOBK-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP CCN(Cc1cn2c3c1cccc3C[NH2+]CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235949190 1041454875 /nfs/dbraw/zinc/45/48/75/1041454875.db2.gz ZBPDUVWQWWBOBK-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP CCOC(=O)N1CC[C@@H]([NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001256033300 1041486046 /nfs/dbraw/zinc/48/60/46/1041486046.db2.gz WTDHVKMRANCCLE-JOCHJYFZSA-N 2 1 399.579 3.904 20 0 GHADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010926 1041502667 /nfs/dbraw/zinc/50/26/67/1041502667.db2.gz WFCWHHKVRIAUSM-QUCCMNQESA-N 2 1 376.422 3.687 20 0 GHADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236010926 1041502677 /nfs/dbraw/zinc/50/26/77/1041502677.db2.gz WFCWHHKVRIAUSM-QUCCMNQESA-N 2 1 376.422 3.687 20 0 GHADMP CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071132 1041506798 /nfs/dbraw/zinc/50/67/98/1041506798.db2.gz NUTDAWPCKRACLX-HXUWFJFHSA-N 2 1 385.552 3.959 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076245 1041510211 /nfs/dbraw/zinc/51/02/11/1041510211.db2.gz WTWZQVDQETVXLM-RTBURBONSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256076245 1041510216 /nfs/dbraw/zinc/51/02/16/1041510216.db2.gz WTWZQVDQETVXLM-RTBURBONSA-N 2 1 391.600 3.972 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc(C)c1OCc1ccccc1 ZINC001236079197 1041524474 /nfs/dbraw/zinc/52/44/74/1041524474.db2.gz LYOZCMYNAASAMW-XMMPIXPASA-N 2 1 393.575 3.737 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCN1c1cc[nH+]cc1 ZINC001462551577 1070354097 /nfs/dbraw/zinc/35/40/97/1070354097.db2.gz WASUJKXPFYQKRE-AWEZNQCLSA-N 2 1 383.389 3.873 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)CCN1c1cc[nH+]cc1 ZINC001462551577 1070354118 /nfs/dbraw/zinc/35/41/18/1070354118.db2.gz WASUJKXPFYQKRE-AWEZNQCLSA-N 2 1 383.389 3.873 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001236145139 1041567676 /nfs/dbraw/zinc/56/76/76/1041567676.db2.gz CUSOXRSWAXXOIR-XMMPIXPASA-N 2 1 393.575 3.827 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001236145139 1041567688 /nfs/dbraw/zinc/56/76/88/1041567688.db2.gz CUSOXRSWAXXOIR-XMMPIXPASA-N 2 1 393.575 3.827 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001236145139 1041567690 /nfs/dbraw/zinc/56/76/90/1041567690.db2.gz CUSOXRSWAXXOIR-XMMPIXPASA-N 2 1 393.575 3.827 20 0 GHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001256179999 1041624839 /nfs/dbraw/zinc/62/48/39/1041624839.db2.gz DAWYQSBNUUTULR-HNNXBMFYSA-N 3 1 384.406 3.855 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236224621 1041630744 /nfs/dbraw/zinc/63/07/44/1041630744.db2.gz UDHXKVZPKYAYQX-MEMLXQNLSA-N 2 1 382.504 3.754 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236276032 1041652864 /nfs/dbraw/zinc/65/28/64/1041652864.db2.gz RXMSELUKEPRTIW-KANFNMMFSA-N 2 1 380.479 3.636 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1C[C@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236276032 1041652872 /nfs/dbraw/zinc/65/28/72/1041652872.db2.gz RXMSELUKEPRTIW-KANFNMMFSA-N 2 1 380.479 3.636 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)c1 ZINC001236305450 1041665966 /nfs/dbraw/zinc/66/59/66/1041665966.db2.gz WFGDIMMMKGTOCB-DEOSSOPVSA-N 2 1 393.575 3.555 20 0 GHADMP [NH3+]CCCCCC[N@@H+](Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001236313858 1041667657 /nfs/dbraw/zinc/66/76/57/1041667657.db2.gz BHDYNQQTXDWSDC-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP FC(F)(F)c1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320623 1041669906 /nfs/dbraw/zinc/66/99/06/1041669906.db2.gz RWUSRDOOTZCLCR-TXEJJXNPSA-N 2 1 377.248 3.899 20 0 GHADMP COCCCOc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1OC ZINC001236376582 1041687069 /nfs/dbraw/zinc/68/70/69/1041687069.db2.gz UBSYMVKXOAYFOU-FQEVSTJZSA-N 2 1 390.568 3.855 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccc(Br)cn2)CC2CC[NH2+]CC2)cc1 ZINC001236383575 1041691395 /nfs/dbraw/zinc/69/13/95/1041691395.db2.gz ULJLCQZYNIROBN-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cc(Br)c[nH]2)CC2CC[NH2+]CC2)cc1 ZINC001236384038 1041692448 /nfs/dbraw/zinc/69/24/48/1041692448.db2.gz YEAMOYYAYYRXIB-UHFFFAOYSA-N 2 1 380.305 3.918 20 0 GHADMP CC(C)=CCC[C@H](C)CC[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236386234 1041693758 /nfs/dbraw/zinc/69/37/58/1041693758.db2.gz OUWABPAUWIXOPO-QFIPXVFZSA-N 2 1 379.633 3.783 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]c3ccc(OC)cc23)C2CC[NH2+]CC2)cc1 ZINC001236444013 1041715145 /nfs/dbraw/zinc/71/51/45/1041715145.db2.gz YYBLHUGWPFOYIN-UHFFFAOYSA-N 2 1 379.504 3.939 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3ccc(OC)cc23)C2CC[NH2+]CC2)cc1 ZINC001236444013 1041715154 /nfs/dbraw/zinc/71/51/54/1041715154.db2.gz YYBLHUGWPFOYIN-UHFFFAOYSA-N 2 1 379.504 3.939 20 0 GHADMP [NH3+]C12CC(CC[N@@H+](Cc3ccc(C(F)(F)F)c(F)c3)C3CC[NH2+]CC3)(C1)C2 ZINC001236490594 1041737833 /nfs/dbraw/zinc/73/78/33/1041737833.db2.gz HJZGHGQKEJSFOU-UHFFFAOYSA-N 3 1 385.449 3.670 20 0 GHADMP [NH3+]C12CC(CCN(Cc3ccc(C(F)(F)F)c(F)c3)C3CC[NH2+]CC3)(C1)C2 ZINC001236490594 1041737837 /nfs/dbraw/zinc/73/78/37/1041737837.db2.gz HJZGHGQKEJSFOU-UHFFFAOYSA-N 2 1 385.449 3.670 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc1OC ZINC001236499271 1041741078 /nfs/dbraw/zinc/74/10/78/1041741078.db2.gz JUQSVLLJHRKQDK-UHFFFAOYSA-N 2 1 390.474 3.779 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)c(N3CCOCC3)c2)CC2CCC2)CC1 ZINC001236542013 1041756528 /nfs/dbraw/zinc/75/65/28/1041756528.db2.gz VSODCJNOBVLWJH-MXVIHJGJSA-N 2 1 375.532 3.534 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545233 1041757270 /nfs/dbraw/zinc/75/72/70/1041757270.db2.gz LOVMSJXGNCYFOH-HZCBDIJESA-N 2 1 396.531 3.683 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(F)c(O)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545294 1041758627 /nfs/dbraw/zinc/75/86/27/1041758627.db2.gz NBZMKFIKRKLEFW-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(F)c(O)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545294 1041758629 /nfs/dbraw/zinc/75/86/29/1041758629.db2.gz NBZMKFIKRKLEFW-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236562720 1041763918 /nfs/dbraw/zinc/76/39/18/1041763918.db2.gz WCQPIUNBZPUGBW-YYWHXJBOSA-N 2 1 381.520 3.761 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1scc2c1OCCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709525 1041847543 /nfs/dbraw/zinc/84/75/43/1041847543.db2.gz ICLBDVRMARUXMT-QAQDUYKDSA-N 2 1 388.533 3.800 20 0 GHADMP CCOC(=O)c1ccnc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726897 1041859711 /nfs/dbraw/zinc/85/97/11/1041859711.db2.gz PTHJLSKPQPUYON-AQYVVDRMSA-N 2 1 381.520 3.839 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236729931 1041861199 /nfs/dbraw/zinc/86/11/99/1041861199.db2.gz YNUNNCLOYFSPQV-HZCBDIJESA-N 2 1 396.531 3.819 20 0 GHADMP COc1nc(OC)c(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC001236756475 1041875640 /nfs/dbraw/zinc/87/56/40/1041875640.db2.gz WSHSIXRHTWJNSU-MXVIHJGJSA-N 2 1 387.499 3.818 20 0 GHADMP C[C@H]1CN(c2ccc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)cn2)C[C@H](C)O1 ZINC001236766901 1041879788 /nfs/dbraw/zinc/87/97/88/1041879788.db2.gz HSWGRXVTHVUFBT-QIJZPMMNSA-N 2 1 388.600 3.813 20 0 GHADMP Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236965396 1041972238 /nfs/dbraw/zinc/97/22/38/1041972238.db2.gz XYRZXSAFDJLSLJ-FQEVSTJZSA-N 2 1 383.511 3.539 20 0 GHADMP Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236965396 1041972241 /nfs/dbraw/zinc/97/22/41/1041972241.db2.gz XYRZXSAFDJLSLJ-FQEVSTJZSA-N 2 1 383.511 3.539 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1Br ZINC001237082681 1042027333 /nfs/dbraw/zinc/02/73/33/1042027333.db2.gz VFLDJZUINAQFRO-FTNCPSPGSA-N 2 1 388.147 3.913 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1Br ZINC001237082681 1042027336 /nfs/dbraw/zinc/02/73/36/1042027336.db2.gz VFLDJZUINAQFRO-FTNCPSPGSA-N 2 1 388.147 3.913 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)ccc1Br ZINC001237082516 1042027570 /nfs/dbraw/zinc/02/75/70/1042027570.db2.gz RBXGGXJCWLPSMQ-FTNCPSPGSA-N 2 1 388.147 3.913 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CC1OC=CC1=S)CC2 ZINC001237176976 1042079120 /nfs/dbraw/zinc/07/91/20/1042079120.db2.gz OMROEBDTBJHRRI-OAHLLOKOSA-N 2 1 393.578 3.528 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC1OC=CC1=S)CC2 ZINC001237176976 1042079127 /nfs/dbraw/zinc/07/91/27/1042079127.db2.gz OMROEBDTBJHRRI-OAHLLOKOSA-N 2 1 393.578 3.528 20 0 GHADMP Clc1ccnc2ccc(C[N@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc12 ZINC001237266853 1042114084 /nfs/dbraw/zinc/11/40/84/1042114084.db2.gz DOPUSPJFCUGBPM-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP Clc1ccnc2ccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc12 ZINC001237266853 1042114085 /nfs/dbraw/zinc/11/40/85/1042114085.db2.gz DOPUSPJFCUGBPM-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)F)c(OC)c1)C2 ZINC001237273050 1042116767 /nfs/dbraw/zinc/11/67/67/1042116767.db2.gz QHUKCUPMYUKBEF-AVRDEDQJSA-N 2 1 394.506 3.813 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)F)c(OC)c1)C2 ZINC001237273050 1042116772 /nfs/dbraw/zinc/11/67/72/1042116772.db2.gz QHUKCUPMYUKBEF-AVRDEDQJSA-N 2 1 394.506 3.813 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(F)F)c(OC)c1)C2 ZINC001237273050 1042116786 /nfs/dbraw/zinc/11/67/86/1042116786.db2.gz QHUKCUPMYUKBEF-AVRDEDQJSA-N 2 1 394.506 3.813 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(F)F)c(OC)c1)C2 ZINC001237273050 1042116791 /nfs/dbraw/zinc/11/67/91/1042116791.db2.gz QHUKCUPMYUKBEF-AVRDEDQJSA-N 2 1 394.506 3.813 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001237410905 1042196163 /nfs/dbraw/zinc/19/61/63/1042196163.db2.gz QDZFLUDADKFSIC-NGYIFUPDSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001237410905 1042196168 /nfs/dbraw/zinc/19/61/68/1042196168.db2.gz QDZFLUDADKFSIC-NGYIFUPDSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001237410905 1042196170 /nfs/dbraw/zinc/19/61/70/1042196170.db2.gz QDZFLUDADKFSIC-NGYIFUPDSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001237410905 1042196172 /nfs/dbraw/zinc/19/61/72/1042196172.db2.gz QDZFLUDADKFSIC-NGYIFUPDSA-N 2 1 392.547 3.773 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2c(F)cccc2Oc2ccccc2)CCC12C[NH2+]C2 ZINC001237430533 1042205463 /nfs/dbraw/zinc/20/54/63/1042205463.db2.gz KWGJBFJSRVNARH-LJQANCHMSA-N 2 1 398.478 3.593 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2C12CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238105769 1042493774 /nfs/dbraw/zinc/49/37/74/1042493774.db2.gz UNXICCDOCYTMCI-UHFFFAOYSA-N 2 1 386.499 3.625 20 0 GHADMP Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1OCc1ccccc1 ZINC001238251427 1042531842 /nfs/dbraw/zinc/53/18/42/1042531842.db2.gz BGPRLWJCOOYMLU-UHFFFAOYSA-N 2 1 375.472 3.688 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(-c2cncc(C[NH3+])c2)n1 ZINC001239790434 1042851068 /nfs/dbraw/zinc/85/10/68/1042851068.db2.gz KJSMDXALPSNLMZ-UHFFFAOYSA-N 2 1 375.501 3.941 20 0 GHADMP C[NH+]1CCN(c2nc3ccccc3nc2C2=CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001240384565 1042924039 /nfs/dbraw/zinc/92/40/39/1042924039.db2.gz PIMVNKUHYXOYBZ-UHFFFAOYSA-N 2 1 399.542 3.671 20 0 GHADMP [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(C3=CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC001240388766 1042925095 /nfs/dbraw/zinc/92/50/95/1042925095.db2.gz KFIHWFMGDKJHHY-RQNOJGIXSA-N 2 1 389.543 3.976 20 0 GHADMP [NH3+][C@H]1CCCC[C@@H]1OCc1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240477754 1042935133 /nfs/dbraw/zinc/93/51/33/1042935133.db2.gz CUCPOJLSGJHMCR-ZEQRLZLVSA-N 2 1 380.532 3.972 20 0 GHADMP C[NH+](C)Cc1c[nH]c2ncc(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)cc12 ZINC001240869228 1042961502 /nfs/dbraw/zinc/96/15/02/1042961502.db2.gz WEIPIJGNPBMMMM-UHFFFAOYSA-N 2 1 376.504 3.613 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256520721 1043445066 /nfs/dbraw/zinc/44/50/66/1043445066.db2.gz UEECGPUZWJNDAJ-UYAOXDASSA-N 2 1 375.557 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256520721 1043445071 /nfs/dbraw/zinc/44/50/71/1043445071.db2.gz UEECGPUZWJNDAJ-UYAOXDASSA-N 2 1 375.557 3.934 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256523466 1043449781 /nfs/dbraw/zinc/44/97/81/1043449781.db2.gz OUOINQIAKBHMRA-ICSRJNTNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256523466 1043449795 /nfs/dbraw/zinc/44/97/95/1043449795.db2.gz OUOINQIAKBHMRA-ICSRJNTNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534760 1043472881 /nfs/dbraw/zinc/47/28/81/1043472881.db2.gz UVYBUGJZSKJVKX-CVDCTZTESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256534760 1043472889 /nfs/dbraw/zinc/47/28/89/1043472889.db2.gz UVYBUGJZSKJVKX-CVDCTZTESA-N 2 1 383.580 3.668 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256536217 1043480760 /nfs/dbraw/zinc/48/07/60/1043480760.db2.gz JLYSJEHLCOFZRQ-NZQKXSOJSA-N 2 1 393.575 3.998 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544765 1043498552 /nfs/dbraw/zinc/49/85/52/1043498552.db2.gz OKDUCYWJMYDXGM-PSWRPDDJSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256544765 1043498572 /nfs/dbraw/zinc/49/85/72/1043498572.db2.gz OKDUCYWJMYDXGM-PSWRPDDJSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256544765 1043498585 /nfs/dbraw/zinc/49/85/85/1043498585.db2.gz OKDUCYWJMYDXGM-PSWRPDDJSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256544765 1043498602 /nfs/dbraw/zinc/49/86/02/1043498602.db2.gz OKDUCYWJMYDXGM-PSWRPDDJSA-N 2 1 396.604 3.560 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256548579 1043510152 /nfs/dbraw/zinc/51/01/52/1043510152.db2.gz BKCWVLYRMCDHFR-REWPJTCUSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256548579 1043510161 /nfs/dbraw/zinc/51/01/61/1043510161.db2.gz BKCWVLYRMCDHFR-REWPJTCUSA-N 2 1 383.580 3.907 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256550993 1043515931 /nfs/dbraw/zinc/51/59/31/1043515931.db2.gz OQGJAFRAXYPGCG-ZJSXRUAMSA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256550993 1043515942 /nfs/dbraw/zinc/51/59/42/1043515942.db2.gz OQGJAFRAXYPGCG-ZJSXRUAMSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@@H]1C[C@H](n2c3ccccc3nc2N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559721 1043534720 /nfs/dbraw/zinc/53/47/20/1043534720.db2.gz NHEJWRKXTLOBIS-TZIWHRDSSA-N 2 1 389.547 3.672 20 0 GHADMP CC[C@H]1[N@H+](C2CC[NH+](C(C)(C)C)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001256572964 1043546057 /nfs/dbraw/zinc/54/60/57/1043546057.db2.gz IYEMVZGIHOJAOT-OFNKIYASSA-N 2 1 375.601 3.895 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC1 ZINC001256572427 1043546154 /nfs/dbraw/zinc/54/61/54/1043546154.db2.gz HBNSDNCCEKMDCD-VWLOTQADSA-N 2 1 397.607 3.807 20 0 GHADMP C1=C2CCCN(C3CCC([NH+]4CCOCC4)CC3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCC[N@H+]1C2 ZINC001256695513 1043626985 /nfs/dbraw/zinc/62/69/85/1043626985.db2.gz CJEXLCSSCAYOAT-GXTWIAECSA-N 2 1 399.623 3.525 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256696911 1043629240 /nfs/dbraw/zinc/62/92/40/1043629240.db2.gz QAIVVAOKELEBHR-DDJHWDJXSA-N 3 1 397.607 3.618 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256696911 1043629244 /nfs/dbraw/zinc/62/92/44/1043629244.db2.gz QAIVVAOKELEBHR-DDJHWDJXSA-N 3 1 397.607 3.618 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256696911 1043629251 /nfs/dbraw/zinc/62/92/51/1043629251.db2.gz QAIVVAOKELEBHR-DDJHWDJXSA-N 3 1 397.607 3.618 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256856337 1043704310 /nfs/dbraw/zinc/70/43/10/1043704310.db2.gz FUISKILDAPZXAN-JOCHJYFZSA-N 2 1 386.540 3.526 20 0 GHADMP CC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861226 1043707616 /nfs/dbraw/zinc/70/76/16/1043707616.db2.gz SVWMUGKJUGQDKM-UHFFFAOYSA-N 2 1 388.556 3.772 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)[C@@H](C)C1 ZINC001256886221 1043723435 /nfs/dbraw/zinc/72/34/35/1043723435.db2.gz JRDYMBDPCDWGAU-YJBOKZPZSA-N 2 1 384.490 3.778 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900907 1043731517 /nfs/dbraw/zinc/73/15/17/1043731517.db2.gz CFGRVVFRJCZLOZ-XXBNENTESA-N 2 1 383.536 3.654 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900907 1043731528 /nfs/dbraw/zinc/73/15/28/1043731528.db2.gz CFGRVVFRJCZLOZ-XXBNENTESA-N 2 1 383.536 3.654 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1coc2cc(Cl)ccc12 ZINC001292582090 1043794924 /nfs/dbraw/zinc/79/49/24/1043794924.db2.gz IODSFLLCAHWNBD-GOSISDBHSA-N 2 1 391.943 3.503 20 0 GHADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001292800334 1043882138 /nfs/dbraw/zinc/88/21/38/1043882138.db2.gz XKAGOVHZWJOBMA-XZOQPEGZSA-N 2 1 397.538 3.580 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001292967021 1043968006 /nfs/dbraw/zinc/96/80/06/1043968006.db2.gz WFAWGSPWCCUVJO-NRFANRHFSA-N 2 1 385.939 3.682 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001292967021 1043968008 /nfs/dbraw/zinc/96/80/08/1043968008.db2.gz WFAWGSPWCCUVJO-NRFANRHFSA-N 2 1 385.939 3.682 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813766 1044194954 /nfs/dbraw/zinc/19/49/54/1044194954.db2.gz BZUANRFXCQCUBN-AWWSKVOZSA-N 2 1 391.600 3.830 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813766 1044194958 /nfs/dbraw/zinc/19/49/58/1044194958.db2.gz BZUANRFXCQCUBN-AWWSKVOZSA-N 2 1 391.600 3.830 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813766 1044194962 /nfs/dbraw/zinc/19/49/62/1044194962.db2.gz BZUANRFXCQCUBN-AWWSKVOZSA-N 2 1 391.600 3.830 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)CC1 ZINC001258014304 1044341346 /nfs/dbraw/zinc/34/13/46/1044341346.db2.gz FSLMELWTJWUHCB-FQEVSTJZSA-N 2 1 375.601 3.515 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258065741 1044379119 /nfs/dbraw/zinc/37/91/19/1044379119.db2.gz OARLSVURTQPYDR-YVNJGZBMSA-N 2 1 377.617 3.854 20 0 GHADMP COc1cc2c(cc1OC)C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258140397 1044425690 /nfs/dbraw/zinc/42/56/90/1044425690.db2.gz XFEFCEZIPROBEN-HSZRJFAPSA-N 2 1 394.559 3.858 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1C1CCN(CCc2ccccc2)CC1 ZINC001258146026 1044433175 /nfs/dbraw/zinc/43/31/75/1044433175.db2.gz PMWTYODJHIHMSP-NRFANRHFSA-N 2 1 387.568 3.683 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001294048726 1044445152 /nfs/dbraw/zinc/44/51/52/1044445152.db2.gz AYAXYRVPYNDXTH-LEWJYISDSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001294048726 1044445162 /nfs/dbraw/zinc/44/51/62/1044445162.db2.gz AYAXYRVPYNDXTH-LEWJYISDSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001294048726 1044445169 /nfs/dbraw/zinc/44/51/69/1044445169.db2.gz AYAXYRVPYNDXTH-LEWJYISDSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001294048726 1044445182 /nfs/dbraw/zinc/44/51/82/1044445182.db2.gz AYAXYRVPYNDXTH-LEWJYISDSA-N 2 1 375.532 3.513 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)Cc1ccco1)CC2 ZINC001258188232 1044460393 /nfs/dbraw/zinc/46/03/93/1044460393.db2.gz ISQNRPWLWJLTMZ-ROUUACIJSA-N 2 1 389.565 3.670 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@H](C)CCSC)CC3)C2)c1 ZINC001258216558 1044474467 /nfs/dbraw/zinc/47/44/67/1044474467.db2.gz HLBIQMHRGQCLQQ-GOSISDBHSA-N 2 1 378.582 3.504 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@H](C)CCSC)CC3)C2)c1 ZINC001258216558 1044474477 /nfs/dbraw/zinc/47/44/77/1044474477.db2.gz HLBIQMHRGQCLQQ-GOSISDBHSA-N 2 1 378.582 3.504 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)CC(C)(C)SC)CC2)c1 ZINC001258349571 1044519766 /nfs/dbraw/zinc/51/97/66/1044519766.db2.gz NQKSVRSFHPYMJV-MRXNPFEDSA-N 2 1 378.582 3.947 20 0 GHADMP CCCC[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001294215848 1044528704 /nfs/dbraw/zinc/52/87/04/1044528704.db2.gz VVMJFASNVHRQHZ-VQTJNVASSA-N 2 1 390.620 3.588 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258418460 1044550812 /nfs/dbraw/zinc/55/08/12/1044550812.db2.gz PQTCFJFSYWBGIL-WGSAOQKQSA-N 2 1 375.532 3.545 20 0 GHADMP O=C1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC001258568097 1044646636 /nfs/dbraw/zinc/64/66/36/1044646636.db2.gz IYMSFTWJSDGITE-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@H]1CCC(C)(C)C1)CC2 ZINC001258602987 1044665730 /nfs/dbraw/zinc/66/57/30/1044665730.db2.gz FLTDFTUDUWDBFD-SFTDATJTSA-N 2 1 378.601 3.795 20 0 GHADMP CCC[C@@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001258656933 1044696362 /nfs/dbraw/zinc/69/63/62/1044696362.db2.gz LCQDUWFNIZWPRL-SFTDATJTSA-N 2 1 382.552 3.549 20 0 GHADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001258740312 1044738001 /nfs/dbraw/zinc/73/80/01/1044738001.db2.gz PVZVOYNGXIVABM-OAHLLOKOSA-N 2 1 381.948 3.589 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258823925 1044776224 /nfs/dbraw/zinc/77/62/24/1044776224.db2.gz ORHDJOMXXIQGFP-UYAOXDASSA-N 2 1 383.580 3.816 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001258863352 1044803474 /nfs/dbraw/zinc/80/34/74/1044803474.db2.gz HLHRYIFZVAUTQW-SNRMKQJTSA-N 2 1 376.541 3.625 20 0 GHADMP COc1ccccc1C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001258890194 1044845014 /nfs/dbraw/zinc/84/50/14/1044845014.db2.gz NLEMWSKBUSSPNS-LGKPFJOYSA-N 2 1 396.579 3.696 20 0 GHADMP COc1ccccc1C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001258890194 1044845028 /nfs/dbraw/zinc/84/50/28/1044845028.db2.gz NLEMWSKBUSSPNS-LGKPFJOYSA-N 2 1 396.579 3.696 20 0 GHADMP COc1ccccc1C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001258890194 1044845047 /nfs/dbraw/zinc/84/50/47/1044845047.db2.gz NLEMWSKBUSSPNS-LGKPFJOYSA-N 2 1 396.579 3.696 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001295169119 1044936362 /nfs/dbraw/zinc/93/63/62/1044936362.db2.gz PNYQBELCEFXIBN-TUACAJSNSA-N 2 1 399.623 3.969 20 0 GHADMP CC(C)[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001300848201 1046206742 /nfs/dbraw/zinc/20/67/42/1046206742.db2.gz OOUKUHQCBOUKKC-HSZRJFAPSA-N 2 1 383.580 3.620 20 0 GHADMP C[S@](=O)c1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001262378802 1046254162 /nfs/dbraw/zinc/25/41/62/1046254162.db2.gz LTPSQOKUYXVDDH-HLIRBWCUSA-N 2 1 382.573 3.814 20 0 GHADMP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC001264132077 1047249709 /nfs/dbraw/zinc/24/97/09/1047249709.db2.gz HUFPAMFTESQNOU-VSKRKVRLSA-N 2 1 397.563 3.793 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC001264132077 1047249721 /nfs/dbraw/zinc/24/97/21/1047249721.db2.gz HUFPAMFTESQNOU-VSKRKVRLSA-N 2 1 397.563 3.793 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Br)cs3)(C1)CCC2 ZINC001279166868 1047735085 /nfs/dbraw/zinc/73/50/85/1047735085.db2.gz ZKIYFRGWXZXMNT-DLBZAZTESA-N 2 1 386.403 3.597 20 0 GHADMP COc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279309593 1047762497 /nfs/dbraw/zinc/76/24/97/1047762497.db2.gz ZZSSXDDJCDZHIW-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC001279333122 1047771404 /nfs/dbraw/zinc/77/14/04/1047771404.db2.gz POGNCTLZYIKDNP-UHFFFAOYSA-N 2 1 384.923 3.778 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC001279333122 1047771414 /nfs/dbraw/zinc/77/14/14/1047771414.db2.gz POGNCTLZYIKDNP-UHFFFAOYSA-N 2 1 384.923 3.778 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3cncc(F)c3Cl)C[C@H]2CC1 ZINC001279372524 1047784793 /nfs/dbraw/zinc/78/47/93/1047784793.db2.gz OMHVSRFSRKIGNT-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cncc(F)c3Cl)C[C@H]2CC1 ZINC001279372524 1047784799 /nfs/dbraw/zinc/78/47/99/1047784799.db2.gz OMHVSRFSRKIGNT-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cncc(F)c3Cl)C[C@H]2CC1 ZINC001279372524 1047784806 /nfs/dbraw/zinc/78/48/06/1047784806.db2.gz OMHVSRFSRKIGNT-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cncc(F)c3Cl)C[C@H]2CC1 ZINC001279372524 1047784813 /nfs/dbraw/zinc/78/48/13/1047784813.db2.gz OMHVSRFSRKIGNT-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3cc(C)cc(Cl)c3)CC2)C1 ZINC001279374438 1047785987 /nfs/dbraw/zinc/78/59/87/1047785987.db2.gz DASJPVMGMJUGCT-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3cc(C)cc(Cl)c3)CC2)C1 ZINC001279374438 1047785993 /nfs/dbraw/zinc/78/59/93/1047785993.db2.gz DASJPVMGMJUGCT-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP Brc1nc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cs1 ZINC001279385853 1047789416 /nfs/dbraw/zinc/78/94/16/1047789416.db2.gz HJGGULJADFWNGK-OKILXGFUSA-N 2 1 395.370 3.578 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N(C)C)s3)C[C@H]2CC1 ZINC001279583346 1047854907 /nfs/dbraw/zinc/85/49/07/1047854907.db2.gz VEBHDMXXOITZSF-CALCHBBNSA-N 2 1 390.622 3.923 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N(C)C)s3)C[C@H]2CC1 ZINC001279583346 1047854920 /nfs/dbraw/zinc/85/49/20/1047854920.db2.gz VEBHDMXXOITZSF-CALCHBBNSA-N 2 1 390.622 3.923 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N(C)C)s3)C[C@H]2CC1 ZINC001279583346 1047854931 /nfs/dbraw/zinc/85/49/31/1047854931.db2.gz VEBHDMXXOITZSF-CALCHBBNSA-N 2 1 390.622 3.923 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC001279595783 1047860219 /nfs/dbraw/zinc/86/02/19/1047860219.db2.gz BKFYCAYVCVRDSG-SFHVURJKSA-N 2 1 377.598 3.945 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]CCc3ccc(Br)cc3)(C1)CCC2 ZINC001279601732 1047862790 /nfs/dbraw/zinc/86/27/90/1047862790.db2.gz AGWRUSRKBRDQOV-UXHICEINSA-N 2 1 394.401 3.578 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](CC(=O)c3cccs3)C[C@H]2CC1 ZINC001280035877 1048058259 /nfs/dbraw/zinc/05/82/59/1048058259.db2.gz JGDSDKAZCIWQBZ-IYBDPMFKSA-N 2 1 375.563 3.540 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CC(=O)c3cccs3)C[C@H]2CC1 ZINC001280035877 1048058274 /nfs/dbraw/zinc/05/82/74/1048058274.db2.gz JGDSDKAZCIWQBZ-IYBDPMFKSA-N 2 1 375.563 3.540 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CC(=O)c3cccs3)C[C@H]2CC1 ZINC001280035877 1048058290 /nfs/dbraw/zinc/05/82/90/1048058290.db2.gz JGDSDKAZCIWQBZ-IYBDPMFKSA-N 2 1 375.563 3.540 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](CC(=O)c3cccs3)C[C@H]2CC1 ZINC001280035877 1048058307 /nfs/dbraw/zinc/05/83/07/1048058307.db2.gz JGDSDKAZCIWQBZ-IYBDPMFKSA-N 2 1 375.563 3.540 20 0 GHADMP CSc1ccc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001280156147 1048108135 /nfs/dbraw/zinc/10/81/35/1048108135.db2.gz GAUCEDQXUUEXRP-UHFFFAOYSA-N 2 1 382.017 3.911 20 0 GHADMP CSc1ccc(Cl)cc1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001280156147 1048108146 /nfs/dbraw/zinc/10/81/46/1048108146.db2.gz GAUCEDQXUUEXRP-UHFFFAOYSA-N 2 1 382.017 3.911 20 0 GHADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001306807073 1048907052 /nfs/dbraw/zinc/90/70/52/1048907052.db2.gz NRHCIDJYDCCPJV-UHFFFAOYSA-N 2 1 398.599 3.598 20 0 GHADMP CCC[NH+](CC)CCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001306807073 1048907054 /nfs/dbraw/zinc/90/70/54/1048907054.db2.gz NRHCIDJYDCCPJV-UHFFFAOYSA-N 2 1 398.599 3.598 20 0 GHADMP CCC[NH+](CC)CCn1c(-c2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001306807073 1048907062 /nfs/dbraw/zinc/90/70/62/1048907062.db2.gz NRHCIDJYDCCPJV-UHFFFAOYSA-N 2 1 398.599 3.598 20 0 GHADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307485053 1049324455 /nfs/dbraw/zinc/32/44/55/1049324455.db2.gz BGZLGAJUJPHQSN-WMZHIEFXSA-N 2 1 385.596 3.976 20 0 GHADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307507328 1049348955 /nfs/dbraw/zinc/34/89/55/1049348955.db2.gz KGOUOJWQXNYHKC-XMMPIXPASA-N 2 1 382.548 3.538 20 0 GHADMP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307507328 1049348971 /nfs/dbraw/zinc/34/89/71/1049348971.db2.gz KGOUOJWQXNYHKC-XMMPIXPASA-N 2 1 382.548 3.538 20 0 GHADMP CON(C)C(=O)CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001307825897 1049619542 /nfs/dbraw/zinc/61/95/42/1049619542.db2.gz RMXXJAJXJBXLPQ-QFIPXVFZSA-N 2 1 387.568 3.553 20 0 GHADMP CC(=O)c1[nH]c(CC[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)nc1C ZINC001307884773 1049665696 /nfs/dbraw/zinc/66/56/96/1049665696.db2.gz CRPWQODOLKEDKR-UHFFFAOYSA-N 2 1 394.563 3.841 20 0 GHADMP O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001308036834 1049787342 /nfs/dbraw/zinc/78/73/42/1049787342.db2.gz UXNLINNPXXLJAY-JOCHJYFZSA-N 2 1 392.547 3.918 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001308196449 1049908993 /nfs/dbraw/zinc/90/89/93/1049908993.db2.gz HGPYRTBBHQXQTK-SFTDATJTSA-N 2 1 387.568 3.860 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001308196449 1049908998 /nfs/dbraw/zinc/90/89/98/1049908998.db2.gz HGPYRTBBHQXQTK-SFTDATJTSA-N 2 1 387.568 3.860 20 0 GHADMP COc1ccccc1/C=C\C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001308198434 1049909917 /nfs/dbraw/zinc/90/99/17/1049909917.db2.gz XOTGEEFWRHTSJY-IYGUDBDMSA-N 2 1 379.548 3.677 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC001308201423 1049910531 /nfs/dbraw/zinc/91/05/31/1049910531.db2.gz GRPRFFAGJNGNPH-GOSISDBHSA-N 2 1 384.520 3.757 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1ccc(C[N@H+]3CCC[C@H](C)C3)cc1)OCO2 ZINC001308199810 1049910619 /nfs/dbraw/zinc/91/06/19/1049910619.db2.gz PTGQYVZBFLGBLM-KRWDZBQOSA-N 2 1 382.504 3.946 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC001308245018 1049924961 /nfs/dbraw/zinc/92/49/61/1049924961.db2.gz SICJITQIQUYJGG-UHFFFAOYSA-N 2 1 381.520 3.511 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001308367495 1049959528 /nfs/dbraw/zinc/95/95/28/1049959528.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 3 1 395.591 3.501 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001308367495 1049959532 /nfs/dbraw/zinc/95/95/32/1049959532.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 3 1 395.591 3.501 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001308367495 1049959534 /nfs/dbraw/zinc/95/95/34/1049959534.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 3 1 395.591 3.501 20 0 GHADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001308367495 1049959536 /nfs/dbraw/zinc/95/95/36/1049959536.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 2 1 395.591 3.501 20 0 GHADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001308367495 1049959539 /nfs/dbraw/zinc/95/95/39/1049959539.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 2 1 395.591 3.501 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001308367495 1049959541 /nfs/dbraw/zinc/95/95/41/1049959541.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 2 1 395.591 3.501 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001308367495 1049959542 /nfs/dbraw/zinc/95/95/42/1049959542.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 2 1 395.591 3.501 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001308367495 1049959544 /nfs/dbraw/zinc/95/95/44/1049959544.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 2 1 395.591 3.501 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001308367495 1049959545 /nfs/dbraw/zinc/95/95/45/1049959545.db2.gz UEZFMFDZBDNRJG-DEOSSOPVSA-N 2 1 395.591 3.501 20 0 GHADMP Cc1oc(-c2cccs2)nc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001308458382 1049981099 /nfs/dbraw/zinc/98/10/99/1049981099.db2.gz LXALCBSOEZIGQH-GOSISDBHSA-N 2 1 383.517 3.568 20 0 GHADMP Cc1oc(-c2cccs2)nc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001308458382 1049981102 /nfs/dbraw/zinc/98/11/02/1049981102.db2.gz LXALCBSOEZIGQH-GOSISDBHSA-N 2 1 383.517 3.568 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[C@@H]1C ZINC001308548129 1050005152 /nfs/dbraw/zinc/00/51/52/1050005152.db2.gz MVNPTROBHHBNTD-MIFVUEQCSA-N 2 1 384.564 3.855 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001308681420 1050057660 /nfs/dbraw/zinc/05/76/60/1050057660.db2.gz QZBFFVHDORCWGO-PZJWPPBQSA-N 2 1 383.580 3.842 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC001308720686 1050071200 /nfs/dbraw/zinc/07/12/00/1050071200.db2.gz NLTFNNKLTQQKIP-DYESRHJHSA-N 2 1 378.582 3.613 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)c1 ZINC001327640823 1050240293 /nfs/dbraw/zinc/24/02/93/1050240293.db2.gz JTIRRRQSRNJQGG-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)c1 ZINC001327640823 1050240303 /nfs/dbraw/zinc/24/03/03/1050240303.db2.gz JTIRRRQSRNJQGG-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001327640823 1050240313 /nfs/dbraw/zinc/24/03/13/1050240313.db2.gz JTIRRRQSRNJQGG-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001327640823 1050240326 /nfs/dbraw/zinc/24/03/26/1050240326.db2.gz JTIRRRQSRNJQGG-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP Cc1cc(C[NH3+])oc1C(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC001332096814 1051456615 /nfs/dbraw/zinc/45/66/15/1051456615.db2.gz VNAYCURMHRLREF-UHFFFAOYSA-N 2 1 393.487 3.810 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC001311436181 1052145700 /nfs/dbraw/zinc/14/57/00/1052145700.db2.gz KWIDUPFJMNEXPR-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001311564807 1052248890 /nfs/dbraw/zinc/24/88/90/1052248890.db2.gz SYBRDDOZDQLRDT-GTMAMOSYSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC001336726313 1052317076 /nfs/dbraw/zinc/31/70/76/1052317076.db2.gz BIIOJULTLHKFEG-NRFANRHFSA-N 2 1 379.504 3.703 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001311694284 1052335869 /nfs/dbraw/zinc/33/58/69/1052335869.db2.gz LQHZQFKRPZJYRD-PMACEKPBSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001311694284 1052335878 /nfs/dbraw/zinc/33/58/78/1052335878.db2.gz LQHZQFKRPZJYRD-PMACEKPBSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001311886579 1052457711 /nfs/dbraw/zinc/45/77/11/1052457711.db2.gz JXCGKLXPYXGPMG-FQEVSTJZSA-N 2 1 378.605 3.691 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCC1)c1ccccc1 ZINC001311993592 1052519023 /nfs/dbraw/zinc/51/90/23/1052519023.db2.gz KKETZDGMXLRSEB-KSEOMHKRSA-N 2 1 398.595 3.966 20 0 GHADMP Cc1nccn1CCCCNC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001312072485 1052557615 /nfs/dbraw/zinc/55/76/15/1052557615.db2.gz SXZBLHFRTNPTJA-QFIPXVFZSA-N 2 1 397.567 3.668 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001312072485 1052557620 /nfs/dbraw/zinc/55/76/20/1052557620.db2.gz SXZBLHFRTNPTJA-QFIPXVFZSA-N 2 1 397.567 3.668 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001312072485 1052557627 /nfs/dbraw/zinc/55/76/27/1052557627.db2.gz SXZBLHFRTNPTJA-QFIPXVFZSA-N 2 1 397.567 3.668 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC001313316418 1053016167 /nfs/dbraw/zinc/01/61/67/1053016167.db2.gz RGUJRKDQNOJRJA-PXNSSMCTSA-N 2 1 394.991 3.676 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001342899331 1053422584 /nfs/dbraw/zinc/42/25/84/1053422584.db2.gz ZZMWUSSLVFKXGZ-UHFFFAOYSA-N 2 1 385.537 3.556 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001318505783 1054686213 /nfs/dbraw/zinc/68/62/13/1054686213.db2.gz ZQGCAGNXQSJHJD-QHCPKHFHSA-N 2 1 385.596 3.928 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC(C[NH+](C)C(C)C)CC2)c1 ZINC001318505783 1054686217 /nfs/dbraw/zinc/68/62/17/1054686217.db2.gz ZQGCAGNXQSJHJD-QHCPKHFHSA-N 2 1 385.596 3.928 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCC(C[NH+](C)C(C)C)CC2)c1 ZINC001318505783 1054686223 /nfs/dbraw/zinc/68/62/23/1054686223.db2.gz ZQGCAGNXQSJHJD-QHCPKHFHSA-N 2 1 385.596 3.928 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001318712978 1054814090 /nfs/dbraw/zinc/81/40/90/1054814090.db2.gz FEGVRZNHIHFTLK-FGZHOGPDSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001318712978 1054814096 /nfs/dbraw/zinc/81/40/96/1054814096.db2.gz FEGVRZNHIHFTLK-FGZHOGPDSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001318712979 1054814951 /nfs/dbraw/zinc/81/49/51/1054814951.db2.gz FEGVRZNHIHFTLK-VXKWHMMOSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001318712979 1054814961 /nfs/dbraw/zinc/81/49/61/1054814961.db2.gz FEGVRZNHIHFTLK-VXKWHMMOSA-N 2 1 392.547 3.705 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001319460615 1055260733 /nfs/dbraw/zinc/26/07/33/1055260733.db2.gz ASTIEPCDOGTJNY-NZQKXSOJSA-N 2 1 383.580 3.937 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001319460615 1055260743 /nfs/dbraw/zinc/26/07/43/1055260743.db2.gz ASTIEPCDOGTJNY-NZQKXSOJSA-N 2 1 383.580 3.937 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C(C)C)cc1 ZINC001319793708 1055471660 /nfs/dbraw/zinc/47/16/60/1055471660.db2.gz IIXIURLNPXRZDB-DEOSSOPVSA-N 2 1 381.564 3.930 20 0 GHADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(C[NH+]3CCCC3)cc2)[nH+]1 ZINC001321289452 1056210304 /nfs/dbraw/zinc/21/03/04/1056210304.db2.gz XTEZSRZNJLDDKM-NRFANRHFSA-N 2 1 378.520 3.703 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](c4cccnc4)C3)c2)CC1 ZINC001321370067 1056237601 /nfs/dbraw/zinc/23/76/01/1056237601.db2.gz JRVKMVWIQOIRFZ-UPVQGACJSA-N 2 1 378.564 3.645 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC001321730957 1056377838 /nfs/dbraw/zinc/37/78/38/1056377838.db2.gz SQBMEDFTYRMMMF-QHCPKHFHSA-N 2 1 379.548 3.728 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC001323193955 1056937406 /nfs/dbraw/zinc/93/74/06/1056937406.db2.gz UMOIUQYJTZVWQY-FUHWJXTLSA-N 2 1 390.572 3.797 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC001324847635 1057235957 /nfs/dbraw/zinc/23/59/57/1057235957.db2.gz IDKPABDZVLQCNO-IBGZPJMESA-N 2 1 389.547 3.690 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001325483916 1057333365 /nfs/dbraw/zinc/33/33/65/1057333365.db2.gz FSHUTYDENBBOAP-HSZRJFAPSA-N 2 1 399.579 3.888 20 0 GHADMP COC(=O)/C=C\c1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000848890993 1057400083 /nfs/dbraw/zinc/40/00/83/1057400083.db2.gz MTKMCYDJLAVTFD-KHPPLWFESA-N 2 1 397.519 3.856 20 0 GHADMP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC001326075179 1057409259 /nfs/dbraw/zinc/40/92/59/1057409259.db2.gz IBVIXOXEFLHJER-CQSZACIVSA-N 2 1 378.314 3.511 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC001326298649 1057451438 /nfs/dbraw/zinc/45/14/38/1057451438.db2.gz KAKUNMSRUYISPE-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC[NH+](C)C1 ZINC001326298649 1057451443 /nfs/dbraw/zinc/45/14/43/1057451443.db2.gz KAKUNMSRUYISPE-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH+](C)C1 ZINC001326298649 1057451448 /nfs/dbraw/zinc/45/14/48/1057451448.db2.gz KAKUNMSRUYISPE-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001326728460 1057543357 /nfs/dbraw/zinc/54/33/57/1057543357.db2.gz PBPHMTORDNLACP-UHFFFAOYSA-N 2 1 393.516 3.708 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000849059458 1057570759 /nfs/dbraw/zinc/57/07/59/1057570759.db2.gz VHHBQLVHYYVIGW-GOSISDBHSA-N 2 1 380.536 3.741 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000849063757 1057573911 /nfs/dbraw/zinc/57/39/11/1057573911.db2.gz NWQYZUALMPQFAK-MRXNPFEDSA-N 2 1 391.972 3.870 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000849075642 1057582873 /nfs/dbraw/zinc/58/28/73/1057582873.db2.gz JYPROHUZTGMPHI-JOCHJYFZSA-N 2 1 382.508 3.552 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2cc3ccccc3o2)cs1 ZINC000849092594 1057591656 /nfs/dbraw/zinc/59/16/56/1057591656.db2.gz RZTCFYLETKWYNJ-OAHLLOKOSA-N 2 1 383.521 3.655 20 0 GHADMP C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001440633711 1058551401 /nfs/dbraw/zinc/55/14/01/1058551401.db2.gz BJKGJBHORSLABL-SFTDATJTSA-N 2 1 385.596 3.710 20 0 GHADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC001441533670 1058808888 /nfs/dbraw/zinc/80/88/88/1058808888.db2.gz XDLYBCLNKCCQIT-PWRODBHTSA-N 2 1 385.596 3.709 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(OCC=C(C)C)c1 ZINC001442926501 1059030102 /nfs/dbraw/zinc/03/01/02/1059030102.db2.gz VCIYPNSQEAFIGO-NRFANRHFSA-N 2 1 387.568 3.520 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc2ccc(Cl)cc12 ZINC001442928208 1059030639 /nfs/dbraw/zinc/03/06/39/1059030639.db2.gz XZKJHZPWBITJAH-MRXNPFEDSA-N 2 1 377.916 3.574 20 0 GHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)C(C)(C)C ZINC001445194987 1059477913 /nfs/dbraw/zinc/47/79/13/1059477913.db2.gz WFZDZHQPBJKYOJ-RTBURBONSA-N 2 1 379.633 3.959 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([C@@H]3CCCC[NH2+]3)n2C)C1 ZINC001340061678 1059660198 /nfs/dbraw/zinc/66/01/98/1059660198.db2.gz JAWFOZBNPDVSNO-AABGKKOBSA-N 2 1 386.584 3.566 20 0 GHADMP O=C(CCCCC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001340819954 1060163107 /nfs/dbraw/zinc/16/31/07/1060163107.db2.gz BFYBKUBWWAEXAK-UHFFFAOYSA-N 2 1 393.522 3.605 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC001341133987 1060437537 /nfs/dbraw/zinc/43/75/37/1060437537.db2.gz SHCXKEWQAUKYFN-GOTSBHOMSA-N 2 1 395.522 3.599 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC001341133987 1060437557 /nfs/dbraw/zinc/43/75/57/1060437557.db2.gz SHCXKEWQAUKYFN-GOTSBHOMSA-N 2 1 395.522 3.599 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001453733854 1061190755 /nfs/dbraw/zinc/19/07/55/1061190755.db2.gz FZKOQWKYAXXNRB-XMMPIXPASA-N 2 1 393.575 3.773 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC001454058069 1061589593 /nfs/dbraw/zinc/58/95/93/1061589593.db2.gz ICJUJTUGCXKNAF-QHCPKHFHSA-N 2 1 383.580 3.588 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001455075880 1061993696 /nfs/dbraw/zinc/99/36/96/1061993696.db2.gz GGTZMGISDACTMD-TZIWHRDSSA-N 2 1 382.552 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001455075880 1061993701 /nfs/dbraw/zinc/99/37/01/1061993701.db2.gz GGTZMGISDACTMD-TZIWHRDSSA-N 2 1 382.552 3.910 20 0 GHADMP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001435762045 1062914847 /nfs/dbraw/zinc/91/48/47/1062914847.db2.gz HBATZEWAVDPLRE-TZIWHRDSSA-N 2 1 380.536 3.880 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001435762045 1062914851 /nfs/dbraw/zinc/91/48/51/1062914851.db2.gz HBATZEWAVDPLRE-TZIWHRDSSA-N 2 1 380.536 3.880 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(c3cc[nH+]cc3C(F)(F)F)C2)ccn1 ZINC001458507021 1063854093 /nfs/dbraw/zinc/85/40/93/1063854093.db2.gz PXAKNPXWFBBNAQ-INIZCTEOSA-N 2 1 380.414 3.605 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001459622564 1064146789 /nfs/dbraw/zinc/14/67/89/1064146789.db2.gz KIVVPIQHUGWHGI-DQEYMECFSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001459622564 1064146799 /nfs/dbraw/zinc/14/67/99/1064146799.db2.gz KIVVPIQHUGWHGI-DQEYMECFSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001459622564 1064146803 /nfs/dbraw/zinc/14/68/03/1064146803.db2.gz KIVVPIQHUGWHGI-DQEYMECFSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001459622564 1064146810 /nfs/dbraw/zinc/14/68/10/1064146810.db2.gz KIVVPIQHUGWHGI-DQEYMECFSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001459622564 1064146817 /nfs/dbraw/zinc/14/68/17/1064146817.db2.gz KIVVPIQHUGWHGI-DQEYMECFSA-N 2 1 378.560 3.968 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1C ZINC001459877587 1064253321 /nfs/dbraw/zinc/25/33/21/1064253321.db2.gz NAKKGENHTAFURW-UHFFFAOYSA-N 2 1 381.520 3.915 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905718 1064265393 /nfs/dbraw/zinc/26/53/93/1064265393.db2.gz LPYAZWMUPSFIRC-ISKFKSNPSA-N 2 1 379.548 3.503 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@]34C[NH+](C)C[C@@]3(C2)CCCC4)cc1)C(C)C ZINC001463476589 1064389395 /nfs/dbraw/zinc/38/93/95/1064389395.db2.gz UKQNCZBTJFVLPI-PSWAGMNNSA-N 2 1 383.580 3.865 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)cc1)C(C)C ZINC001463476589 1064389406 /nfs/dbraw/zinc/38/94/06/1064389406.db2.gz UKQNCZBTJFVLPI-PSWAGMNNSA-N 2 1 383.580 3.865 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)cc1)C(C)C ZINC001463476589 1064389417 /nfs/dbraw/zinc/38/94/17/1064389417.db2.gz UKQNCZBTJFVLPI-PSWAGMNNSA-N 2 1 383.580 3.865 20 0 GHADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001463720603 1064569847 /nfs/dbraw/zinc/56/98/47/1064569847.db2.gz AIMUVEZKRKWAKN-HSZRJFAPSA-N 2 1 379.548 3.749 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001463720603 1064569859 /nfs/dbraw/zinc/56/98/59/1064569859.db2.gz AIMUVEZKRKWAKN-HSZRJFAPSA-N 2 1 379.548 3.749 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001464410627 1064993736 /nfs/dbraw/zinc/99/37/36/1064993736.db2.gz TURUBRBTXZSMSG-JOCHJYFZSA-N 2 1 399.966 3.971 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001464498804 1065047551 /nfs/dbraw/zinc/04/75/51/1065047551.db2.gz UQQAXVLVORRJCV-MAUKXSAKSA-N 2 1 385.474 3.546 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC001464503582 1065049819 /nfs/dbraw/zinc/04/98/19/1065049819.db2.gz ZZRDXWKYRWKWAP-GOSISDBHSA-N 2 1 385.474 3.689 20 0 GHADMP CC[N@@H+](CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001464637182 1065126977 /nfs/dbraw/zinc/12/69/77/1065126977.db2.gz OFRBVRWWJISIFL-UHFFFAOYSA-N 2 1 398.378 3.902 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC001353242668 1065798192 /nfs/dbraw/zinc/79/81/92/1065798192.db2.gz ZUALOAPEKPANQP-ZJSXRUAMSA-N 2 1 391.515 3.725 20 0 GHADMP CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001465743993 1065824597 /nfs/dbraw/zinc/82/45/97/1065824597.db2.gz AMJNEUJJNZARAY-DHIUTWEWSA-N 2 1 379.548 3.802 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)c1 ZINC001353495289 1065977435 /nfs/dbraw/zinc/97/74/35/1065977435.db2.gz LJPJRBKWGUGUSK-NRSPTQNISA-N 2 1 396.535 3.541 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001466961592 1066414519 /nfs/dbraw/zinc/41/45/19/1066414519.db2.gz ABEXQZUZMORPOE-QFIPXVFZSA-N 2 1 385.596 3.869 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC001467307996 1067215053 /nfs/dbraw/zinc/21/50/53/1067215053.db2.gz JTZGXGYBFLPUBP-FUHWJXTLSA-N 2 1 385.474 3.546 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001467580478 1067369940 /nfs/dbraw/zinc/36/99/40/1067369940.db2.gz ZTKGZAAVZFQWCM-NRFANRHFSA-N 2 1 390.616 3.596 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001467580480 1067370028 /nfs/dbraw/zinc/37/00/28/1067370028.db2.gz ZTKGZAAVZFQWCM-OAQYLSRUSA-N 2 1 390.616 3.596 20 0 GHADMP CCN(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC001467631185 1067392247 /nfs/dbraw/zinc/39/22/47/1067392247.db2.gz PXLRRTNEFCKZOV-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001468173022 1067620156 /nfs/dbraw/zinc/62/01/56/1067620156.db2.gz APZAVLHBARMIPP-SQVLJLFZSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001468204451 1067630165 /nfs/dbraw/zinc/63/01/65/1067630165.db2.gz HOLLKWVJHRYWSA-AXVVYFOYSA-N 2 1 394.991 3.608 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001468419723 1067725647 /nfs/dbraw/zinc/72/56/47/1067725647.db2.gz ABQXLPBUZIXPCM-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000849110602 1067733243 /nfs/dbraw/zinc/73/32/43/1067733243.db2.gz IXRXHASYCPHYPO-MRXNPFEDSA-N 2 1 386.462 3.567 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CC)[NH+](CC)CC)cc1 ZINC001477866082 1078601900 /nfs/dbraw/zinc/60/19/00/1078601900.db2.gz YGQCISJXODUCTB-FGZHOGPDSA-N 2 1 388.600 3.806 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001468765878 1067869944 /nfs/dbraw/zinc/86/99/44/1067869944.db2.gz WPTCMEHIBQBFNC-SFTDATJTSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC001468831278 1067903929 /nfs/dbraw/zinc/90/39/29/1067903929.db2.gz MHUKNDXBVPFTEC-PZJWPPBQSA-N 2 1 386.584 3.774 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001477927052 1078631540 /nfs/dbraw/zinc/63/15/40/1078631540.db2.gz KJUPDIVNFPAKOO-YADHBBJMSA-N 2 1 386.584 3.777 20 0 GHADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000543067194 1068045893 /nfs/dbraw/zinc/04/58/93/1068045893.db2.gz OZUCDCZSMNOVAS-AUSIDOKSSA-N 2 1 387.487 3.508 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001469922025 1068471307 /nfs/dbraw/zinc/47/13/07/1068471307.db2.gz BEOGXFLEMRGUMH-PZJWPPBQSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001469922025 1068471313 /nfs/dbraw/zinc/47/13/13/1068471313.db2.gz BEOGXFLEMRGUMH-PZJWPPBQSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001469922025 1068471316 /nfs/dbraw/zinc/47/13/16/1068471316.db2.gz BEOGXFLEMRGUMH-PZJWPPBQSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)c1 ZINC001478210868 1078766857 /nfs/dbraw/zinc/76/68/57/1078766857.db2.gz LKIMSZJZLPIWGE-JOCHJYFZSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC001478210868 1078766862 /nfs/dbraw/zinc/76/68/62/1078766862.db2.gz LKIMSZJZLPIWGE-JOCHJYFZSA-N 2 1 388.600 3.790 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001478744855 1078973959 /nfs/dbraw/zinc/97/39/59/1078973959.db2.gz RORVBBHWOOHDCZ-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1[C@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001478766704 1078979848 /nfs/dbraw/zinc/97/98/48/1078979848.db2.gz RTNADOGNROBZOC-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)C1 ZINC001471045108 1072901894 /nfs/dbraw/zinc/90/18/94/1072901894.db2.gz HVUDZLNDNXTBNG-FCHUYYIVSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001471045108 1072901897 /nfs/dbraw/zinc/90/18/97/1072901897.db2.gz HVUDZLNDNXTBNG-FCHUYYIVSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001471045108 1072901900 /nfs/dbraw/zinc/90/19/00/1072901900.db2.gz HVUDZLNDNXTBNG-FCHUYYIVSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)cc1 ZINC001471315245 1073014852 /nfs/dbraw/zinc/01/48/52/1073014852.db2.gz PCDQUIRNBZTWRE-QHCPKHFHSA-N 2 1 377.532 3.595 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001471505808 1073108399 /nfs/dbraw/zinc/10/83/99/1073108399.db2.gz WVQYLUNRVMOJST-JDJBWLAASA-N 2 1 398.595 3.698 20 0 GHADMP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001479056441 1079086190 /nfs/dbraw/zinc/08/61/90/1079086190.db2.gz VDKZRSFPQPFCOY-HSZRJFAPSA-N 2 1 398.595 3.605 20 0 GHADMP CC1(C)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC(C)(C)[NH2+]1 ZINC001472410021 1073473042 /nfs/dbraw/zinc/47/30/42/1073473042.db2.gz WXFMACLWMVIPLD-GOSISDBHSA-N 2 1 393.522 3.523 20 0 GHADMP CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001473169727 1073828782 /nfs/dbraw/zinc/82/87/82/1073828782.db2.gz FLPCKFVSUWESME-VAMGGRTRSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001473169727 1073828792 /nfs/dbraw/zinc/82/87/92/1073828792.db2.gz FLPCKFVSUWESME-VAMGGRTRSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001473169727 1073828802 /nfs/dbraw/zinc/82/88/02/1073828802.db2.gz FLPCKFVSUWESME-VAMGGRTRSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC001473169727 1073828808 /nfs/dbraw/zinc/82/88/08/1073828808.db2.gz FLPCKFVSUWESME-VAMGGRTRSA-N 2 1 392.609 3.735 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1)CC1CC1 ZINC001473305351 1073913475 /nfs/dbraw/zinc/91/34/75/1073913475.db2.gz XZYWXVODBAOAHE-UHFFFAOYSA-N 2 1 377.617 3.859 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCSC(F)(F)F)cc2)C[C@H](C)O1 ZINC001473597709 1074039337 /nfs/dbraw/zinc/03/93/37/1074039337.db2.gz KCDLYMBQRMDYIP-GASCZTMLSA-N 2 1 376.488 3.981 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCSC(F)(F)F)cc2)C[C@H](C)O1 ZINC001473597709 1074039345 /nfs/dbraw/zinc/03/93/45/1074039345.db2.gz KCDLYMBQRMDYIP-GASCZTMLSA-N 2 1 376.488 3.981 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCSC(F)(F)F)cc2)C[C@H](C)O1 ZINC001473597709 1074039354 /nfs/dbraw/zinc/03/93/54/1074039354.db2.gz KCDLYMBQRMDYIP-GASCZTMLSA-N 2 1 376.488 3.981 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3F)cc2)CCO1 ZINC001473677836 1074080906 /nfs/dbraw/zinc/08/09/06/1074080906.db2.gz NCMCNGZKGDVPGP-QFIPXVFZSA-N 2 1 386.511 3.947 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)CCO1 ZINC001473677836 1074080913 /nfs/dbraw/zinc/08/09/13/1074080913.db2.gz NCMCNGZKGDVPGP-QFIPXVFZSA-N 2 1 386.511 3.947 20 0 GHADMP C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473807385 1074153950 /nfs/dbraw/zinc/15/39/50/1074153950.db2.gz VUCQOJJBHUSWEZ-OPYAIIAOSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473807385 1074153954 /nfs/dbraw/zinc/15/39/54/1074153954.db2.gz VUCQOJJBHUSWEZ-OPYAIIAOSA-N 2 1 391.987 3.961 20 0 GHADMP Oc1ccc(C[C@@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001473874948 1074185857 /nfs/dbraw/zinc/18/58/57/1074185857.db2.gz IUJAOOYVSAFNRZ-QHCPKHFHSA-N 2 1 380.532 3.822 20 0 GHADMP Oc1ccc(C[C@@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001473874948 1074185861 /nfs/dbraw/zinc/18/58/61/1074185861.db2.gz IUJAOOYVSAFNRZ-QHCPKHFHSA-N 2 1 380.532 3.822 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)cc2)CC1 ZINC001473935668 1074210514 /nfs/dbraw/zinc/21/05/14/1074210514.db2.gz BULDUVXFXZECCG-DQEYMECFSA-N 2 1 399.623 3.899 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1OC ZINC001474029616 1074241207 /nfs/dbraw/zinc/24/12/07/1074241207.db2.gz LTHSOHYFIRXSJZ-XLIONFOSSA-N 2 1 384.520 3.713 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1OC ZINC001474029616 1074241211 /nfs/dbraw/zinc/24/12/11/1074241211.db2.gz LTHSOHYFIRXSJZ-XLIONFOSSA-N 2 1 384.520 3.713 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2NCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001474059920 1074251059 /nfs/dbraw/zinc/25/10/59/1074251059.db2.gz ONOOJTXZFNZABT-BGYRXZFFSA-N 2 1 397.563 3.848 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2csc(-c3ccn(C)n3)n2)C[N@H+]1Cc1ccccc1 ZINC001474072880 1074254666 /nfs/dbraw/zinc/25/46/66/1074254666.db2.gz ACQKYIOIQDLYJZ-HKUYNNGSSA-N 2 1 395.576 3.934 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001474185669 1074286823 /nfs/dbraw/zinc/28/68/23/1074286823.db2.gz WOSCTYOVPBEMHH-YZUZCNPQSA-N 2 1 380.532 3.679 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001474185669 1074286828 /nfs/dbraw/zinc/28/68/28/1074286828.db2.gz WOSCTYOVPBEMHH-YZUZCNPQSA-N 2 1 380.532 3.679 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474211575 1074294886 /nfs/dbraw/zinc/29/48/86/1074294886.db2.gz UFCGFLNLPNWJBG-LJQANCHMSA-N 2 1 387.568 3.801 20 0 GHADMP CC(C)(C)OC(=O)C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC001474222845 1074298584 /nfs/dbraw/zinc/29/85/84/1074298584.db2.gz KLSPRTJYHFAWBV-UHFFFAOYSA-N 2 1 390.543 3.934 20 0 GHADMP CC[NH+]1CCN(c2cccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC001474461766 1074416813 /nfs/dbraw/zinc/41/68/13/1074416813.db2.gz USOOWFWLFQLXAF-QHCPKHFHSA-N 2 1 378.564 3.905 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC001474471815 1074421765 /nfs/dbraw/zinc/42/17/65/1074421765.db2.gz TZKIEFZJELYTIO-UHFFFAOYSA-N 2 1 393.487 3.737 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(CNC(=O)OC(C)(C)C)c3)C2)CC1 ZINC001474503975 1074436818 /nfs/dbraw/zinc/43/68/18/1074436818.db2.gz XMEADKCLNSEPGQ-OAQYLSRUSA-N 2 1 387.568 3.875 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(N4CCSCC4)c3)CC2)C1 ZINC001474651452 1074500419 /nfs/dbraw/zinc/50/04/19/1074500419.db2.gz PHOJSWKVBMTYHA-WIYYLYMNSA-N 2 1 388.625 3.768 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(F)cc1Br ZINC001474748359 1074544480 /nfs/dbraw/zinc/54/44/80/1074544480.db2.gz MTFVMVMWKNZSTD-GUTXKFCHSA-N 2 1 385.321 3.759 20 0 GHADMP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)[NH+](C)C ZINC001496633601 1079476626 /nfs/dbraw/zinc/47/66/26/1079476626.db2.gz YLNSKIBRZSPUFP-HBFSDRIKSA-N 2 1 392.636 3.687 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412263 599375119 /nfs/dbraw/zinc/37/51/19/599375119.db2.gz LPFARMLGTFZOAS-OOGWUDDOSA-N 2 1 388.519 3.713 20 0 GHADMP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000822744027 607477791 /nfs/dbraw/zinc/47/77/91/607477791.db2.gz KEKRDUZGZDXSTR-UHFFFAOYSA-N 2 1 394.498 3.672 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820705526 606408972 /nfs/dbraw/zinc/40/89/72/606408972.db2.gz UQXZGXFWOVIKJV-HNNXBMFYSA-N 2 1 382.537 3.592 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824531812 609348686 /nfs/dbraw/zinc/34/86/86/609348686.db2.gz QTBQAEUXRAZFOS-JTDSTZFVSA-N 2 1 394.498 3.567 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824531812 609348688 /nfs/dbraw/zinc/34/86/88/609348688.db2.gz QTBQAEUXRAZFOS-JTDSTZFVSA-N 2 1 394.498 3.567 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC([NH3+])C3)CC2)n1 ZINC001164388573 718802286 /nfs/dbraw/zinc/80/22/86/718802286.db2.gz WVVDSMVVOILFFU-UHFFFAOYSA-N 2 1 387.597 3.858 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724644 720396463 /nfs/dbraw/zinc/39/64/63/720396463.db2.gz KBIDARQJOHOJEY-VQTJNVASSA-N 2 1 397.954 3.579 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724644 720396471 /nfs/dbraw/zinc/39/64/71/720396471.db2.gz KBIDARQJOHOJEY-VQTJNVASSA-N 2 1 397.954 3.579 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000647545721 837493091 /nfs/dbraw/zinc/49/30/91/837493091.db2.gz JSIRQZULFQRBQQ-LEWJYISDSA-N 2 1 393.531 3.769 20 0 GHADMP O[C@H](CNCc1cc(-c2ccccc2)cs1)C[N@@H+]1CCc2ccccc2C1 ZINC000237957578 837505730 /nfs/dbraw/zinc/50/57/30/837505730.db2.gz UOZHXMNJUSPMNH-JOCHJYFZSA-N 2 1 378.541 3.924 20 0 GHADMP O[C@H](CNCc1cc(-c2ccccc2)cs1)C[N@H+]1CCc2ccccc2C1 ZINC000237957578 837505736 /nfs/dbraw/zinc/50/57/36/837505736.db2.gz UOZHXMNJUSPMNH-JOCHJYFZSA-N 2 1 378.541 3.924 20 0 GHADMP CC[C@H]1CCCC[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431796154 837559363 /nfs/dbraw/zinc/55/93/63/837559363.db2.gz JGQJKBSYMLVNKY-RBBKRZOGSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689395 837609425 /nfs/dbraw/zinc/60/94/25/837609425.db2.gz CGQWZHDXOKGRCB-RDPSFJRHSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689395 837609435 /nfs/dbraw/zinc/60/94/35/837609435.db2.gz CGQWZHDXOKGRCB-RDPSFJRHSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689395 837609441 /nfs/dbraw/zinc/60/94/41/837609441.db2.gz CGQWZHDXOKGRCB-RDPSFJRHSA-N 3 1 385.596 3.652 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655710424 837701210 /nfs/dbraw/zinc/70/12/10/837701210.db2.gz APVVTUGQJHZSNH-SJORKVTESA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655710424 837701219 /nfs/dbraw/zinc/70/12/19/837701219.db2.gz APVVTUGQJHZSNH-SJORKVTESA-N 2 1 389.341 3.660 20 0 GHADMP FC(F)(F)c1cccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000655708619 837713162 /nfs/dbraw/zinc/71/31/62/837713162.db2.gz RGBSHTXCMUAHMV-LJQANCHMSA-N 2 1 382.470 3.970 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613364632 837760904 /nfs/dbraw/zinc/76/09/04/837760904.db2.gz WOLHUOAPCGIDCM-HSZRJFAPSA-N 2 1 395.522 3.875 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613364632 837760913 /nfs/dbraw/zinc/76/09/13/837760913.db2.gz WOLHUOAPCGIDCM-HSZRJFAPSA-N 2 1 395.522 3.875 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Oc1ccccc1C(F)(F)F ZINC000655731570 837765519 /nfs/dbraw/zinc/76/55/19/837765519.db2.gz SQXUOSJBSIYLHT-IAGOWNOFSA-N 2 1 386.458 3.706 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000472289852 834514290 /nfs/dbraw/zinc/51/42/90/834514290.db2.gz AGCQLFRKARTBNH-QGZVFWFLSA-N 2 1 377.529 3.882 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000472289852 834514297 /nfs/dbraw/zinc/51/42/97/834514297.db2.gz AGCQLFRKARTBNH-QGZVFWFLSA-N 2 1 377.529 3.882 20 0 GHADMP CCCOc1c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cccc1OCC ZINC000650705233 834518493 /nfs/dbraw/zinc/51/84/93/834518493.db2.gz ACMRGGKHNQVDOA-HFSMHLIXSA-N 2 1 376.541 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000654767759 834522767 /nfs/dbraw/zinc/52/27/67/834522767.db2.gz NUXMZVKKSDONJP-HSZRJFAPSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000654767759 834522773 /nfs/dbraw/zinc/52/27/73/834522773.db2.gz NUXMZVKKSDONJP-HSZRJFAPSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000654767759 834522782 /nfs/dbraw/zinc/52/27/82/834522782.db2.gz NUXMZVKKSDONJP-HSZRJFAPSA-N 2 1 379.548 3.665 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1cccs1 ZINC000647333077 834526379 /nfs/dbraw/zinc/52/63/79/834526379.db2.gz LELBRMBQWQAGDT-DZFGPLHGSA-N 2 1 385.577 3.643 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1cccs1 ZINC000647333077 834526383 /nfs/dbraw/zinc/52/63/83/834526383.db2.gz LELBRMBQWQAGDT-DZFGPLHGSA-N 2 1 385.577 3.643 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)C1 ZINC000650707845 834546621 /nfs/dbraw/zinc/54/66/21/834546621.db2.gz OCTGTBPDGLWWHM-VBQJREDUSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511253536 834554085 /nfs/dbraw/zinc/55/40/85/834554085.db2.gz OCFAWFXVVKGPRT-XAUMDUMWSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511253536 834554090 /nfs/dbraw/zinc/55/40/90/834554090.db2.gz OCFAWFXVVKGPRT-XAUMDUMWSA-N 2 1 377.960 3.712 20 0 GHADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnn(Cc3ccc(C(F)(F)F)cc3)c1)C2 ZINC000650709864 834564222 /nfs/dbraw/zinc/56/42/22/834564222.db2.gz UQBRIRJKSXQGOW-OALUTQOASA-N 2 1 378.442 3.511 20 0 GHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(Cc3ccc(C(F)(F)F)cc3)c1)C2 ZINC000650709864 834564226 /nfs/dbraw/zinc/56/42/26/834564226.db2.gz UQBRIRJKSXQGOW-OALUTQOASA-N 2 1 378.442 3.511 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000089214883 834573267 /nfs/dbraw/zinc/57/32/67/834573267.db2.gz HENRMQOCHGCAMQ-NFBKMPQASA-N 3 1 378.564 3.941 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000089214883 834573275 /nfs/dbraw/zinc/57/32/75/834573275.db2.gz HENRMQOCHGCAMQ-NFBKMPQASA-N 3 1 378.564 3.941 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000728571353 834659061 /nfs/dbraw/zinc/65/90/61/834659061.db2.gz BSXAIXBRTIAGET-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772405 834677536 /nfs/dbraw/zinc/67/75/36/834677536.db2.gz MVOAUIGFECUSTK-JOCHJYFZSA-N 2 1 391.559 3.780 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C(C)(C)C(F)F ZINC000657867004 834690396 /nfs/dbraw/zinc/69/03/96/834690396.db2.gz DEISDASLCGUUIC-INIZCTEOSA-N 2 1 384.511 3.946 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723402 834702925 /nfs/dbraw/zinc/70/29/25/834702925.db2.gz NJPUDDDYPVSZJX-CEWLAPEOSA-N 2 1 388.943 3.695 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000472299088 834917222 /nfs/dbraw/zinc/91/72/22/834917222.db2.gz XNANWEGAKKEJFK-QAPCUYQASA-N 2 1 392.931 3.884 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000472299088 834917229 /nfs/dbraw/zinc/91/72/29/834917229.db2.gz XNANWEGAKKEJFK-QAPCUYQASA-N 2 1 392.931 3.884 20 0 GHADMP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c(Cl)c1 ZINC000655760498 837825120 /nfs/dbraw/zinc/82/51/20/837825120.db2.gz RNBOAXMNRDWHOY-ROUUACIJSA-N 2 1 398.378 3.805 20 0 GHADMP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c(Cl)c1 ZINC000655760499 837825405 /nfs/dbraw/zinc/82/54/05/837825405.db2.gz RNBOAXMNRDWHOY-ZWKOTPCHSA-N 2 1 398.378 3.805 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH+](C)CC1 ZINC000685454695 835026400 /nfs/dbraw/zinc/02/64/00/835026400.db2.gz ZQCSEQCEDHJLAN-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000685462119 835029188 /nfs/dbraw/zinc/02/91/88/835029188.db2.gz CNVCNIDFQWFIDS-UHFFFAOYSA-N 2 1 377.414 3.918 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000685462119 835029196 /nfs/dbraw/zinc/02/91/96/835029196.db2.gz CNVCNIDFQWFIDS-UHFFFAOYSA-N 2 1 377.414 3.918 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnn(CC(C)C)c3)CC2)c1C ZINC000685468843 835033335 /nfs/dbraw/zinc/03/33/35/835033335.db2.gz BTITUCIGLCCLPL-UHFFFAOYSA-N 2 1 399.583 3.656 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnn(CC(C)C)c3)CC2)c1C ZINC000685468843 835033345 /nfs/dbraw/zinc/03/33/45/835033345.db2.gz BTITUCIGLCCLPL-UHFFFAOYSA-N 2 1 399.583 3.656 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000278437039 835085452 /nfs/dbraw/zinc/08/54/52/835085452.db2.gz DUGUCHWZWNWTTB-UHFFFAOYSA-N 2 1 382.508 3.569 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N(CC[NH+]3CCCCCC3)C3CCC3)CC2)[nH+]c1 ZINC000685218417 835147809 /nfs/dbraw/zinc/14/78/09/835147809.db2.gz RDOMFLJCTPBPEA-UHFFFAOYSA-N 2 1 398.595 3.864 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000430217901 835212432 /nfs/dbraw/zinc/21/24/32/835212432.db2.gz LYVVNRYVLKOOJC-IEIRFRATSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000430217901 835212442 /nfs/dbraw/zinc/21/24/42/835212442.db2.gz LYVVNRYVLKOOJC-IEIRFRATSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000430217901 835212447 /nfs/dbraw/zinc/21/24/47/835212447.db2.gz LYVVNRYVLKOOJC-IEIRFRATSA-N 2 1 386.584 3.555 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137096 835461370 /nfs/dbraw/zinc/46/13/70/835461370.db2.gz JZRBJOLZWKQXQH-WMZHIEFXSA-N 2 1 386.511 3.888 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000512983823 844054652 /nfs/dbraw/zinc/05/46/52/844054652.db2.gz XHSGEIJDCBDAOB-GOSISDBHSA-N 2 1 380.374 3.719 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139946 835464764 /nfs/dbraw/zinc/46/47/64/835464764.db2.gz OWVYWJXEHSXPNA-NQIIRXRSSA-N 2 1 386.923 3.910 20 0 GHADMP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cccc(F)c1 ZINC000658168745 835482925 /nfs/dbraw/zinc/48/29/25/835482925.db2.gz YIKHVKDSLDVIMW-JOCHJYFZSA-N 2 1 393.510 3.545 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C1CCCCC1 ZINC000584055821 835521178 /nfs/dbraw/zinc/52/11/78/835521178.db2.gz SBWBZFZOIPIBQK-OAQYLSRUSA-N 2 1 395.551 3.824 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000584072814 835540562 /nfs/dbraw/zinc/54/05/62/835540562.db2.gz FVFFZVUMBVBQIT-FFZOFVMBSA-N 2 1 387.499 3.629 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000584072814 835540568 /nfs/dbraw/zinc/54/05/68/835540568.db2.gz FVFFZVUMBVBQIT-FFZOFVMBSA-N 2 1 387.499 3.629 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000080650276 835574794 /nfs/dbraw/zinc/57/47/94/835574794.db2.gz XJSROIJGOVQILB-UHFFFAOYSA-N 2 1 375.488 3.804 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000471221976 835975833 /nfs/dbraw/zinc/97/58/33/835975833.db2.gz YZKVVWXDOZHXHT-GLJUWKHASA-N 2 1 386.367 3.833 20 0 GHADMP COc1cccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1OC(F)F ZINC000092587327 844121561 /nfs/dbraw/zinc/12/15/61/844121561.db2.gz JUEASIUWSAMONH-HOTGVXAUSA-N 2 1 398.494 3.618 20 0 GHADMP Cn1c(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2cc(F)ccc21 ZINC000180175952 836094962 /nfs/dbraw/zinc/09/49/62/836094962.db2.gz CNSXMHAZDJDBFW-SESVDKBCSA-N 2 1 392.522 3.755 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000080075619 836222360 /nfs/dbraw/zinc/22/23/60/836222360.db2.gz NWYLWFBMTZKPJD-QNGMFEMESA-N 2 1 378.605 3.595 20 0 GHADMP CCn1cc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000892540706 836229360 /nfs/dbraw/zinc/22/93/60/836229360.db2.gz PWFRGWXFZKCWIG-UHFFFAOYSA-N 2 1 375.520 3.851 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509895388 844146962 /nfs/dbraw/zinc/14/69/62/844146962.db2.gz ACINACHJLPOATR-KRWDZBQOSA-N 2 1 379.504 3.653 20 0 GHADMP Clc1cccc(-n2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)nn2)c1Cl ZINC000647483026 836315415 /nfs/dbraw/zinc/31/54/15/836315415.db2.gz SCDWGOOJOHYLMM-INIZCTEOSA-N 2 1 380.323 3.538 20 0 GHADMP CN(Cc1ccccc1Oc1ccccc1)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001167152278 836667255 /nfs/dbraw/zinc/66/72/55/836667255.db2.gz VNYNQXPKOVJCAE-UHFFFAOYSA-N 2 1 389.503 3.833 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4c(c3)OC(F)(F)O4)CC2)oc1C ZINC000562966202 836747783 /nfs/dbraw/zinc/74/77/83/836747783.db2.gz STXKZEFAGSILPI-UHFFFAOYSA-N 2 1 393.434 3.615 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000892584315 836771866 /nfs/dbraw/zinc/77/18/66/836771866.db2.gz IZUAAICEEOPHCF-MRXNPFEDSA-N 2 1 379.549 3.511 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175325631 836772032 /nfs/dbraw/zinc/77/20/32/836772032.db2.gz HHEGIHGCLFSTGB-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000414260045 836792251 /nfs/dbraw/zinc/79/22/51/836792251.db2.gz HEXRVEBBKAMOAR-JYAXOCDNSA-N 2 1 398.551 3.531 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000414260045 836792256 /nfs/dbraw/zinc/79/22/56/836792256.db2.gz HEXRVEBBKAMOAR-JYAXOCDNSA-N 2 1 398.551 3.531 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000431696805 836900925 /nfs/dbraw/zinc/90/09/25/836900925.db2.gz FHRZATPULBSVJG-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431696805 836900929 /nfs/dbraw/zinc/90/09/29/836900929.db2.gz FHRZATPULBSVJG-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431696805 836900936 /nfs/dbraw/zinc/90/09/36/836900936.db2.gz FHRZATPULBSVJG-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647497858 837054566 /nfs/dbraw/zinc/05/45/66/837054566.db2.gz YIVQZWYUESRUDT-BEFAXECRSA-N 2 1 391.357 3.811 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccncc1 ZINC000892616152 837139372 /nfs/dbraw/zinc/13/93/72/837139372.db2.gz XWDKEQLHVRHGBL-BRIRTLKKSA-N 2 1 381.520 3.945 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000548982037 837175014 /nfs/dbraw/zinc/17/50/14/837175014.db2.gz OYNOXDSTAIIZAY-SFHVURJKSA-N 2 1 377.536 3.884 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000548982037 837175023 /nfs/dbraw/zinc/17/50/23/837175023.db2.gz OYNOXDSTAIIZAY-SFHVURJKSA-N 2 1 377.536 3.884 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000431731598 837208754 /nfs/dbraw/zinc/20/87/54/837208754.db2.gz ZLGOUTJXGVKBNV-FPOVZHCZSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)N2CCCC23CC[NH+](C)CC3)C[N@H+]1Cc1ccccc1 ZINC000510955590 844247021 /nfs/dbraw/zinc/24/70/21/844247021.db2.gz YPAMTTUNYONQOA-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP CSc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000685848042 837270984 /nfs/dbraw/zinc/27/09/84/837270984.db2.gz TWTRAMLQOOMQLM-IYBDPMFKSA-N 2 1 384.611 3.560 20 0 GHADMP CSc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000685848042 837270994 /nfs/dbraw/zinc/27/09/94/837270994.db2.gz TWTRAMLQOOMQLM-IYBDPMFKSA-N 2 1 384.611 3.560 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000047778304 837888807 /nfs/dbraw/zinc/88/88/07/837888807.db2.gz WFJYIENCOXIHOL-NQIIRXRSSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000047778304 837888817 /nfs/dbraw/zinc/88/88/17/837888817.db2.gz WFJYIENCOXIHOL-NQIIRXRSSA-N 2 1 398.551 3.756 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377764311 837939678 /nfs/dbraw/zinc/93/96/78/837939678.db2.gz QWIRTNSPGYGRJY-FCHUYYIVSA-N 2 1 392.547 3.734 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431851659 837966921 /nfs/dbraw/zinc/96/69/21/837966921.db2.gz QIILNAPUAGIKLO-GMAHTHKFSA-N 2 1 379.548 3.660 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579953558 838014818 /nfs/dbraw/zinc/01/48/18/838014818.db2.gz SAJRRKRYEWEKSL-RWMBFGLXSA-N 2 1 389.849 3.617 20 0 GHADMP CN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275621072 838049955 /nfs/dbraw/zinc/04/99/55/838049955.db2.gz JKRQHGSNRGNEEO-OAQYLSRUSA-N 2 1 380.536 3.529 20 0 GHADMP C[C@@H](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000471450534 838165925 /nfs/dbraw/zinc/16/59/25/838165925.db2.gz PJYPMYHANJXUCU-NRFANRHFSA-N 2 1 393.575 3.925 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCCC1)C2 ZINC000377942021 838182492 /nfs/dbraw/zinc/18/24/92/838182492.db2.gz LUECKMGWUOVUPU-FXAWDEMLSA-N 2 1 380.536 3.534 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000415880236 838226783 /nfs/dbraw/zinc/22/67/83/838226783.db2.gz FFGKCFDGVRABSQ-WZONZLPQSA-N 2 1 392.547 3.849 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000415899431 838245782 /nfs/dbraw/zinc/24/57/82/838245782.db2.gz JUTYFAACCQUCOX-GOSISDBHSA-N 2 1 380.536 3.960 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000415915819 838264970 /nfs/dbraw/zinc/26/49/70/838264970.db2.gz AEBQQMAJIUIBMF-UHFFFAOYSA-N 2 1 392.547 3.926 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415909887 838266534 /nfs/dbraw/zinc/26/65/34/838266534.db2.gz UOKQXYRKWXUMBX-QFIPXVFZSA-N 2 1 380.536 3.924 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1)CC(C)C ZINC000415942420 838293754 /nfs/dbraw/zinc/29/37/54/838293754.db2.gz AXXJODQJZNAXLV-UHFFFAOYSA-N 2 1 390.572 3.636 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000415964352 838322988 /nfs/dbraw/zinc/32/29/88/838322988.db2.gz ZUHAVIDZNTVPCR-UHFFFAOYSA-N 2 1 394.563 3.969 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415973222 838332191 /nfs/dbraw/zinc/33/21/91/838332191.db2.gz OBRLETGAOYALKC-OAQYLSRUSA-N 2 1 380.536 3.782 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000416010392 838399061 /nfs/dbraw/zinc/39/90/61/838399061.db2.gz OIRLXEHBDQLNEX-UHFFFAOYSA-N 2 1 378.520 3.763 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000118879836 838753233 /nfs/dbraw/zinc/75/32/33/838753233.db2.gz VQYXKXJFWFKDSW-DNVCBOLYSA-N 2 1 397.485 3.689 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974118 839025283 /nfs/dbraw/zinc/02/52/83/839025283.db2.gz YMBANQQBUZAJHU-FCHUYYIVSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974118 839025289 /nfs/dbraw/zinc/02/52/89/839025289.db2.gz YMBANQQBUZAJHU-FCHUYYIVSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974118 839025291 /nfs/dbraw/zinc/02/52/91/839025291.db2.gz YMBANQQBUZAJHU-FCHUYYIVSA-N 2 1 385.596 3.725 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163916 839105590 /nfs/dbraw/zinc/10/55/90/839105590.db2.gz AMURWJHHYJSXDX-FYYLOGMGSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163916 839105598 /nfs/dbraw/zinc/10/55/98/839105598.db2.gz AMURWJHHYJSXDX-FYYLOGMGSA-N 2 1 382.548 3.625 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000472684369 839125670 /nfs/dbraw/zinc/12/56/70/839125670.db2.gz IQOXTUNULASJNK-PXNSSMCTSA-N 2 1 375.944 3.962 20 0 GHADMP C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378563594 839338703 /nfs/dbraw/zinc/33/87/03/839338703.db2.gz SLRQXWLXHLQUHO-HKUYNNGSSA-N 2 1 385.939 3.570 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCN(Cc4ccccn4)CC3)CC23CC3)cc1 ZINC000580430538 839549891 /nfs/dbraw/zinc/54/98/91/839549891.db2.gz JXXKLOCYWIQGQQ-HSZRJFAPSA-N 2 1 390.575 3.833 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCN(Cc4ccccn4)CC3)CC23CC3)cc1 ZINC000580430538 839549897 /nfs/dbraw/zinc/54/98/97/839549897.db2.gz JXXKLOCYWIQGQQ-HSZRJFAPSA-N 2 1 390.575 3.833 20 0 GHADMP FC(F)(F)CN1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000312855517 839573973 /nfs/dbraw/zinc/57/39/73/839573973.db2.gz GXILCWZXTLZRNT-LJQANCHMSA-N 2 1 383.502 3.905 20 0 GHADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000415467297 839812144 /nfs/dbraw/zinc/81/21/44/839812144.db2.gz URHNQESFXNPMSH-SJORKVTESA-N 2 1 394.519 3.515 20 0 GHADMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000580567739 839820145 /nfs/dbraw/zinc/82/01/45/839820145.db2.gz JOYMLUNQYJYLNI-GOTSBHOMSA-N 2 1 395.591 3.762 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc3[nH]ccc3c2)c1)C1CCOCC1 ZINC000565217557 839923707 /nfs/dbraw/zinc/92/37/07/839923707.db2.gz MGDXRWDIYFVYPY-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP CCCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(F)cc1 ZINC000511659884 840259321 /nfs/dbraw/zinc/25/93/21/840259321.db2.gz YDRGGXKPRNVMHM-UHFFFAOYSA-N 2 1 377.548 3.807 20 0 GHADMP COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C)cc(C[NH3+])c3)CC[N@H+]2C2CC2)c1 ZINC000580887752 840381016 /nfs/dbraw/zinc/38/10/16/840381016.db2.gz LYPVFFOWZBMWTO-VXKWHMMOSA-N 2 1 394.519 3.562 20 0 GHADMP C[N@@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513127482 844533418 /nfs/dbraw/zinc/53/34/18/844533418.db2.gz IWLWDELZTZCFCN-XNMUZJSGSA-N 2 1 377.532 3.712 20 0 GHADMP C[NH+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513127482 844533424 /nfs/dbraw/zinc/53/34/24/844533424.db2.gz IWLWDELZTZCFCN-XNMUZJSGSA-N 2 1 377.532 3.712 20 0 GHADMP C[NH+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513127482 844533428 /nfs/dbraw/zinc/53/34/28/844533428.db2.gz IWLWDELZTZCFCN-XNMUZJSGSA-N 2 1 377.532 3.712 20 0 GHADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001167442909 840604691 /nfs/dbraw/zinc/60/46/91/840604691.db2.gz JLDKBRZNJSQTAL-YADHBBJMSA-N 2 1 379.633 3.852 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000660541894 840839294 /nfs/dbraw/zinc/83/92/94/840839294.db2.gz YUXJHPVZUMMTIM-WIOPSUGQSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000660541894 840839301 /nfs/dbraw/zinc/83/93/01/840839301.db2.gz YUXJHPVZUMMTIM-WIOPSUGQSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000660541894 840839316 /nfs/dbraw/zinc/83/93/16/840839316.db2.gz YUXJHPVZUMMTIM-WIOPSUGQSA-N 2 1 397.607 3.869 20 0 GHADMP CCC[N@H+](Cc1cnc(C2CC2)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000656441054 840926340 /nfs/dbraw/zinc/92/63/40/840926340.db2.gz WURXFMCJRAYVIU-UHFFFAOYSA-N 2 1 380.540 3.642 20 0 GHADMP CCC[N@@H+](Cc1cnc(C2CC2)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000656441054 840926351 /nfs/dbraw/zinc/92/63/51/840926351.db2.gz WURXFMCJRAYVIU-UHFFFAOYSA-N 2 1 380.540 3.642 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000276092065 840979163 /nfs/dbraw/zinc/97/91/63/840979163.db2.gz VWRUOKRZRVBPJC-QFIPXVFZSA-N 2 1 388.600 3.797 20 0 GHADMP [NH3+][C@@H](c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656469018 841052796 /nfs/dbraw/zinc/05/27/96/841052796.db2.gz YOGFFXXRNIETFV-IIBYNOLFSA-N 2 1 399.901 3.641 20 0 GHADMP [NH3+][C@@H](c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656469018 841052808 /nfs/dbraw/zinc/05/28/08/841052808.db2.gz YOGFFXXRNIETFV-IIBYNOLFSA-N 2 1 399.901 3.641 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000656493960 841145223 /nfs/dbraw/zinc/14/52/23/841145223.db2.gz PYXXCPMRKAWFKM-JTHBVZDNSA-N 2 1 393.575 3.914 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660732449 841147392 /nfs/dbraw/zinc/14/73/92/841147392.db2.gz ROVADGOYNNUUHI-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660732449 841147402 /nfs/dbraw/zinc/14/74/02/841147402.db2.gz ROVADGOYNNUUHI-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000660732449 841147413 /nfs/dbraw/zinc/14/74/13/841147413.db2.gz ROVADGOYNNUUHI-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000660732449 841147421 /nfs/dbraw/zinc/14/74/21/841147421.db2.gz ROVADGOYNNUUHI-FQEVSTJZSA-N 2 1 398.551 3.584 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417827160 841208724 /nfs/dbraw/zinc/20/87/24/841208724.db2.gz PDSGFOVCSQAGSE-PTUXOGIPSA-N 2 1 394.563 3.676 20 0 GHADMP CC[C@@H](CNC(=O)c1ccc(C[NH+](CC)CC)o1)[N@H+]1CCc2ccccc2C1 ZINC000042726426 841247117 /nfs/dbraw/zinc/24/71/17/841247117.db2.gz GNDLDDBQFDFTJO-FQEVSTJZSA-N 2 1 383.536 3.688 20 0 GHADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001167458149 841257883 /nfs/dbraw/zinc/25/78/83/841257883.db2.gz QMQJPRCXTAQEBC-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@H](C)[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001167458149 841257896 /nfs/dbraw/zinc/25/78/96/841257896.db2.gz QMQJPRCXTAQEBC-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@H](C)[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001167458149 841257906 /nfs/dbraw/zinc/25/79/06/841257906.db2.gz QMQJPRCXTAQEBC-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000364183525 841316689 /nfs/dbraw/zinc/31/66/89/841316689.db2.gz QOUROZQHQQKPIN-QHCPKHFHSA-N 2 1 385.596 3.835 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000661005485 841329676 /nfs/dbraw/zinc/32/96/76/841329676.db2.gz ZUUBLNPGYZFKMQ-KSEOMHKRSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661005485 841329684 /nfs/dbraw/zinc/32/96/84/841329684.db2.gz ZUUBLNPGYZFKMQ-KSEOMHKRSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661005485 841329695 /nfs/dbraw/zinc/32/96/95/841329695.db2.gz ZUUBLNPGYZFKMQ-KSEOMHKRSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000893330556 841399013 /nfs/dbraw/zinc/39/90/13/841399013.db2.gz KGBHUZDKSMDZSV-UHFFFAOYSA-N 2 1 397.523 3.709 20 0 GHADMP COC(=O)c1oc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1C ZINC000581455247 841431216 /nfs/dbraw/zinc/43/12/16/841431216.db2.gz AEBPYMFTJFFMAT-INIZCTEOSA-N 2 1 379.460 3.806 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000652032212 841889398 /nfs/dbraw/zinc/88/93/98/841889398.db2.gz FCIZXTIIWWDECP-SJLPKXTDSA-N 2 1 388.581 3.747 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000652032212 841889412 /nfs/dbraw/zinc/88/94/12/841889412.db2.gz FCIZXTIIWWDECP-SJLPKXTDSA-N 2 1 388.581 3.747 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccnn2-c2ccccn2)cc1 ZINC000647171647 841951325 /nfs/dbraw/zinc/95/13/25/841951325.db2.gz QXYWMDRZRCPFBU-LJQANCHMSA-N 2 1 375.520 3.932 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000303461074 842000144 /nfs/dbraw/zinc/00/01/44/842000144.db2.gz LOCGSFBSAJTLPF-IBGZPJMESA-N 2 1 377.532 3.710 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000303461074 842000155 /nfs/dbraw/zinc/00/01/55/842000155.db2.gz LOCGSFBSAJTLPF-IBGZPJMESA-N 2 1 377.532 3.710 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000623637847 861261525 /nfs/dbraw/zinc/26/15/25/861261525.db2.gz MWBUOUVWVIDOLP-ICSRJNTNSA-N 2 1 396.522 3.586 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000623637847 861261539 /nfs/dbraw/zinc/26/15/39/861261539.db2.gz MWBUOUVWVIDOLP-ICSRJNTNSA-N 2 1 396.522 3.586 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001167825125 842038269 /nfs/dbraw/zinc/03/82/69/842038269.db2.gz RBKBVMVSFSLRSR-HXUWFJFHSA-N 2 1 386.584 3.520 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc4c(ccc(C)c4C)[nH]3)CC2)CC1 ZINC000473137126 842048314 /nfs/dbraw/zinc/04/83/14/842048314.db2.gz BYZSWVPWDTZEFR-UHFFFAOYSA-N 2 1 396.579 3.551 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001167827037 842064571 /nfs/dbraw/zinc/06/45/71/842064571.db2.gz RRIVQMKRKWEIJC-VNYTWHDVSA-N 2 1 395.613 3.650 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001167828138 842105013 /nfs/dbraw/zinc/10/50/13/842105013.db2.gz WQPCQFKEFQMNIK-JTSKRJEESA-N 2 1 393.522 3.904 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001167828462 842117581 /nfs/dbraw/zinc/11/75/81/842117581.db2.gz YUTJJRCTMZPRSI-FVTFTPSCSA-N 2 1 375.557 3.593 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661854327 842241206 /nfs/dbraw/zinc/24/12/06/842241206.db2.gz BEKDMKZGTIVBQY-NRFANRHFSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564609 842288412 /nfs/dbraw/zinc/28/84/12/842288412.db2.gz WOXPOJGQEBTHKV-KNQAVFIVSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299804 /nfs/dbraw/zinc/29/98/04/842299804.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 2 1 387.612 3.718 20 0 GHADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299812 /nfs/dbraw/zinc/29/98/12/842299812.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 2 1 387.612 3.718 20 0 GHADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000512044691 842299817 /nfs/dbraw/zinc/29/98/17/842299817.db2.gz HANNKSMHTATDKQ-FUPPJEDESA-N 2 1 387.612 3.718 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)sc1Br ZINC000512045272 842317115 /nfs/dbraw/zinc/31/71/15/842317115.db2.gz LMVXFFSGVCEPAZ-AWEZNQCLSA-N 2 1 388.419 3.743 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)C1 ZINC000652347887 842319550 /nfs/dbraw/zinc/31/95/50/842319550.db2.gz NXFNZFVXAOQQQM-SZVBFZGTSA-N 2 1 375.900 3.713 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001167836206 842330083 /nfs/dbraw/zinc/33/00/83/842330083.db2.gz XINKIEZEACHLGT-JKSUJKDBSA-N 2 1 388.478 3.849 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001167836401 842330944 /nfs/dbraw/zinc/33/09/44/842330944.db2.gz ZKGNTCCVLDQQNG-QZTJIDSGSA-N 2 1 375.532 3.756 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000652361171 842369462 /nfs/dbraw/zinc/36/94/62/842369462.db2.gz YYJCOEGEDGXGNW-KZNAEPCWSA-N 2 1 375.900 3.856 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000652360647 842378342 /nfs/dbraw/zinc/37/83/42/842378342.db2.gz NMDPJQKQWQZVTJ-OIBXWCBGSA-N 2 1 393.531 3.653 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512169519 842720084 /nfs/dbraw/zinc/72/00/84/842720084.db2.gz OVJQFQJHFNUTGR-CTNGQTDRSA-N 2 1 388.552 3.571 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512169519 842720093 /nfs/dbraw/zinc/72/00/93/842720093.db2.gz OVJQFQJHFNUTGR-CTNGQTDRSA-N 2 1 388.552 3.571 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3sc(C)nc3CC(C)C)CC2)CC1 ZINC000580723779 861338008 /nfs/dbraw/zinc/33/80/08/861338008.db2.gz KESPAMJRMLNYFC-UHFFFAOYSA-N 2 1 392.613 3.785 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1=CC[NH+](C)CC1 ZINC000510500800 842801473 /nfs/dbraw/zinc/80/14/73/842801473.db2.gz MCNNVCOYMZBXDV-MOPGFXCFSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000510500800 842801484 /nfs/dbraw/zinc/80/14/84/842801484.db2.gz MCNNVCOYMZBXDV-MOPGFXCFSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000510500800 842801495 /nfs/dbraw/zinc/80/14/95/842801495.db2.gz MCNNVCOYMZBXDV-MOPGFXCFSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H]([NH2+]Cc1cc(Br)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000573437038 842850423 /nfs/dbraw/zinc/85/04/23/842850423.db2.gz NBUYIGRXPLMVON-MNOVXSKESA-N 2 1 376.136 3.689 20 0 GHADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000662251628 843018920 /nfs/dbraw/zinc/01/89/20/843018920.db2.gz GUILAJPELOISBL-PMACEKPBSA-N 2 1 377.315 3.729 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430820857 843023487 /nfs/dbraw/zinc/02/34/87/843023487.db2.gz JUIOSQHOUZDPNX-ACIOBRDBSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430820857 843023497 /nfs/dbraw/zinc/02/34/97/843023497.db2.gz JUIOSQHOUZDPNX-ACIOBRDBSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430820857 843023507 /nfs/dbraw/zinc/02/35/07/843023507.db2.gz JUIOSQHOUZDPNX-ACIOBRDBSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1cccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000430820857 843023517 /nfs/dbraw/zinc/02/35/17/843023517.db2.gz JUIOSQHOUZDPNX-ACIOBRDBSA-N 2 1 382.548 3.720 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662272790 843042805 /nfs/dbraw/zinc/04/28/05/843042805.db2.gz QFWPPUDCTRAWHP-GFCCVEGCSA-N 2 1 395.263 3.951 20 0 GHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC001167492973 843059646 /nfs/dbraw/zinc/05/96/46/843059646.db2.gz VFKDREWPWLQVGI-RBZQAINGSA-N 2 1 393.575 3.982 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000510650388 843124822 /nfs/dbraw/zinc/12/48/22/843124822.db2.gz ZXZXOLKNPJYARS-WOJBJXKFSA-N 2 1 386.584 3.957 20 0 GHADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000662337047 843148416 /nfs/dbraw/zinc/14/84/16/843148416.db2.gz IRBQVQPDQIRKTC-GOSISDBHSA-N 2 1 399.542 3.769 20 0 GHADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430913134 843171906 /nfs/dbraw/zinc/17/19/06/843171906.db2.gz RVSBMIXRIMKWDV-REWPJTCUSA-N 2 1 379.633 3.710 20 0 GHADMP C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913134 843171915 /nfs/dbraw/zinc/17/19/15/843171915.db2.gz RVSBMIXRIMKWDV-REWPJTCUSA-N 3 1 379.633 3.710 20 0 GHADMP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913134 843171923 /nfs/dbraw/zinc/17/19/23/843171923.db2.gz RVSBMIXRIMKWDV-REWPJTCUSA-N 3 1 379.633 3.710 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000662387532 843184007 /nfs/dbraw/zinc/18/40/07/843184007.db2.gz HZSLJVMSEJIZLM-MRXNPFEDSA-N 2 1 382.508 3.768 20 0 GHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC000512245898 843204639 /nfs/dbraw/zinc/20/46/39/843204639.db2.gz SUDDAPWKCDCSND-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC000512245898 843204652 /nfs/dbraw/zinc/20/46/52/843204652.db2.gz SUDDAPWKCDCSND-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC000512245898 843204678 /nfs/dbraw/zinc/20/46/78/843204678.db2.gz SUDDAPWKCDCSND-QHCPKHFHSA-N 2 1 381.495 3.752 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000673681847 861401991 /nfs/dbraw/zinc/40/19/91/861401991.db2.gz OMKQMKQCACUBGP-QHCPKHFHSA-N 2 1 386.499 3.594 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC000662478932 843314726 /nfs/dbraw/zinc/31/47/26/843314726.db2.gz XKOQDJRMJCIIPD-KBXCAEBGSA-N 2 1 384.351 3.588 20 0 GHADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432654863 843366454 /nfs/dbraw/zinc/36/64/54/843366454.db2.gz JGIMSRICLPMKAF-PKOBYXMFSA-N 2 1 377.598 3.585 20 0 GHADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432654863 843366466 /nfs/dbraw/zinc/36/64/66/843366466.db2.gz JGIMSRICLPMKAF-PKOBYXMFSA-N 2 1 377.598 3.585 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432673363 843421475 /nfs/dbraw/zinc/42/14/75/843421475.db2.gz XBIZOSCXVBZSLT-NRFANRHFSA-N 2 1 397.588 3.659 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432673363 843421480 /nfs/dbraw/zinc/42/14/80/843421480.db2.gz XBIZOSCXVBZSLT-NRFANRHFSA-N 2 1 397.588 3.659 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000418663082 843515950 /nfs/dbraw/zinc/51/59/50/843515950.db2.gz WGNREMAHKGAASA-ZRCGQRJVSA-N 2 1 394.563 3.771 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418684953 843532211 /nfs/dbraw/zinc/53/22/11/843532211.db2.gz YSOPKXFVLMBLKO-REWPJTCUSA-N 2 1 394.563 3.773 20 0 GHADMP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(F)cc1F ZINC000662702306 843535698 /nfs/dbraw/zinc/53/56/98/843535698.db2.gz YHHWUKPSGBVDFA-OAQYLSRUSA-N 2 1 387.474 3.657 20 0 GHADMP C[NH+](C)C1(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CCCC1 ZINC000510814208 843556687 /nfs/dbraw/zinc/55/66/87/843556687.db2.gz JJTXTIVWVVYEFI-UHFFFAOYSA-N 2 1 379.548 3.923 20 0 GHADMP CCCN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418770408 843618487 /nfs/dbraw/zinc/61/84/87/843618487.db2.gz OICNXBPCVNCBBK-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC001167821170 843693906 /nfs/dbraw/zinc/69/39/06/843693906.db2.gz CEVIWZBMZUNBOG-RLBLXZPPSA-N 2 1 391.600 3.701 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253430 843728846 /nfs/dbraw/zinc/72/88/46/843728846.db2.gz OUOYLJCMZKGGJN-AWEZNQCLSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253430 843728857 /nfs/dbraw/zinc/72/88/57/843728857.db2.gz OUOYLJCMZKGGJN-AWEZNQCLSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253430 843728867 /nfs/dbraw/zinc/72/88/67/843728867.db2.gz OUOYLJCMZKGGJN-AWEZNQCLSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253430 843728875 /nfs/dbraw/zinc/72/88/75/843728875.db2.gz OUOYLJCMZKGGJN-AWEZNQCLSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253429 843728934 /nfs/dbraw/zinc/72/89/34/843728934.db2.gz OUOYLJCMZKGGJN-CQSZACIVSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253429 843728945 /nfs/dbraw/zinc/72/89/45/843728945.db2.gz OUOYLJCMZKGGJN-CQSZACIVSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253429 843728955 /nfs/dbraw/zinc/72/89/55/843728955.db2.gz OUOYLJCMZKGGJN-CQSZACIVSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253429 843728958 /nfs/dbraw/zinc/72/89/58/843728958.db2.gz OUOYLJCMZKGGJN-CQSZACIVSA-N 2 1 385.346 3.630 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000092165289 843733580 /nfs/dbraw/zinc/73/35/80/843733580.db2.gz YEVMZELJOHTNQQ-UHFFFAOYSA-N 2 1 398.551 3.555 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000500623634 843745275 /nfs/dbraw/zinc/74/52/75/843745275.db2.gz IDFWMDRWEZIBGB-PDTZRLOFSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000500623634 843745281 /nfs/dbraw/zinc/74/52/81/843745281.db2.gz IDFWMDRWEZIBGB-PDTZRLOFSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000500623634 843745294 /nfs/dbraw/zinc/74/52/94/843745294.db2.gz IDFWMDRWEZIBGB-PDTZRLOFSA-N 2 1 398.595 3.554 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000510900353 843753884 /nfs/dbraw/zinc/75/38/84/843753884.db2.gz SJRICSKDBKGGAH-RTBURBONSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512429313 843763436 /nfs/dbraw/zinc/76/34/36/843763436.db2.gz FLYHAMQEIVULJY-DENIHFKCSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512429313 843763442 /nfs/dbraw/zinc/76/34/42/843763442.db2.gz FLYHAMQEIVULJY-DENIHFKCSA-N 2 1 397.567 3.524 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)cc2)C1 ZINC000500696109 843846520 /nfs/dbraw/zinc/84/65/20/843846520.db2.gz FRWNVQHXBHOXSJ-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)C1 ZINC000500696109 843846526 /nfs/dbraw/zinc/84/65/26/843846526.db2.gz FRWNVQHXBHOXSJ-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)C1 ZINC000500696109 843846532 /nfs/dbraw/zinc/84/65/32/843846532.db2.gz FRWNVQHXBHOXSJ-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500719478 843882027 /nfs/dbraw/zinc/88/20/27/843882027.db2.gz ZYZTYQKEWIZYED-DENIHFKCSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[C@@H]1c1ccccc1 ZINC000536233661 843915160 /nfs/dbraw/zinc/91/51/60/843915160.db2.gz QLIDVWAGQDCTEA-PMVMPFDFSA-N 2 1 398.595 3.729 20 0 GHADMP [NH3+][C@@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000237894912 843985544 /nfs/dbraw/zinc/98/55/44/843985544.db2.gz VOKODFLEKZJETC-LSDHHAIUSA-N 2 1 384.351 3.592 20 0 GHADMP CCn1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1C ZINC000535850709 844812591 /nfs/dbraw/zinc/81/25/91/844812591.db2.gz LGXVEGUCABQQBM-FGZHOGPDSA-N 2 1 388.600 3.534 20 0 GHADMP CCn1c(C)cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1C ZINC000535850708 844812962 /nfs/dbraw/zinc/81/29/62/844812962.db2.gz LGXVEGUCABQQBM-FCHUYYIVSA-N 2 1 388.600 3.534 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512646860 844875638 /nfs/dbraw/zinc/87/56/38/844875638.db2.gz DQMNMHZBIPTTAV-XNBWIAOKSA-N 2 1 383.580 3.524 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397153 861563304 /nfs/dbraw/zinc/56/33/04/861563304.db2.gz BQQGKRILYVVCRV-UHFFFAOYSA-N 2 1 396.535 3.576 20 0 GHADMP C[C@@H](NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000179395505 861562339 /nfs/dbraw/zinc/56/23/39/861562339.db2.gz DEDCOCHDPRRNFS-QGZVFWFLSA-N 2 1 386.565 3.559 20 0 GHADMP C[N@H+](CCC(=O)Nc1ccccc1F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397170 861564142 /nfs/dbraw/zinc/56/41/42/861564142.db2.gz KWCUGMKQAQQBFW-UHFFFAOYSA-N 2 1 384.499 3.788 20 0 GHADMP Brc1ccc(-c2nccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000647815501 845467050 /nfs/dbraw/zinc/46/70/50/845467050.db2.gz QOETUYYKQUQQGH-UHFFFAOYSA-N 2 1 387.325 3.623 20 0 GHADMP Brc1ccc(-c2nccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)n2)cc1 ZINC000647815501 845467057 /nfs/dbraw/zinc/46/70/57/845467057.db2.gz QOETUYYKQUQQGH-UHFFFAOYSA-N 2 1 387.325 3.623 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(OC(F)F)ccc4ccccc43)C2)CC1 ZINC000513467603 845493554 /nfs/dbraw/zinc/49/35/54/845493554.db2.gz XJYBPFJOGYLBNS-GOSISDBHSA-N 2 1 389.490 3.653 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000513495403 845529673 /nfs/dbraw/zinc/52/96/73/845529673.db2.gz PLCUCNOVOLJJOL-PZJWPPBQSA-N 2 1 389.547 3.872 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cnc2n1 ZINC000513544379 845636186 /nfs/dbraw/zinc/63/61/86/845636186.db2.gz HHVPVFICYYZMJK-WIYYLYMNSA-N 2 1 377.536 3.736 20 0 GHADMP C[NH+]1CCC([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000179524210 861617215 /nfs/dbraw/zinc/61/72/15/861617215.db2.gz SOKZXXOSOIKLPU-UHFFFAOYSA-N 2 1 381.236 3.531 20 0 GHADMP C[C@]1(CNCc2ccc(-n3cncn3)c(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000548624614 845904268 /nfs/dbraw/zinc/90/42/68/845904268.db2.gz HTGYVCFZDQPJKX-JOCHJYFZSA-N 2 1 379.483 3.551 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000531078042 845927868 /nfs/dbraw/zinc/92/78/68/845927868.db2.gz DQLIKBZHKZEOHK-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP O=C(NCCCCNc1ccccn1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000105025600 845929649 /nfs/dbraw/zinc/92/96/49/845929649.db2.gz BQXSFDXHSAUSLX-UHFFFAOYSA-N 2 1 399.564 3.644 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421361338 846174543 /nfs/dbraw/zinc/17/45/43/846174543.db2.gz GRQSYKUSXMGAAH-HSZRJFAPSA-N 2 1 396.579 3.992 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(C)(C)C)s3)CC2)CC1 ZINC000513648026 846212755 /nfs/dbraw/zinc/21/27/55/846212755.db2.gz NXCUNWHDAIDIKX-UHFFFAOYSA-N 2 1 391.625 3.812 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000513672068 846218975 /nfs/dbraw/zinc/21/89/75/846218975.db2.gz IMOPNSIZBLHQOQ-UHFFFAOYSA-N 2 1 395.547 3.713 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000157988130 846316637 /nfs/dbraw/zinc/31/66/37/846316637.db2.gz GRKIXXVQVLSGBA-UHFFFAOYSA-N 2 1 394.003 3.783 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000502709136 846382188 /nfs/dbraw/zinc/38/21/88/846382188.db2.gz UPTRXAFZPCWSED-FQEVSTJZSA-N 2 1 395.595 3.987 20 0 GHADMP Cn1cncc1CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000298104954 846389188 /nfs/dbraw/zinc/38/91/88/846389188.db2.gz NSTALKDPDZWJHT-XMMPIXPASA-N 2 1 389.547 3.524 20 0 GHADMP C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cnn(C2CCCC2)c1 ZINC000502726562 846400093 /nfs/dbraw/zinc/40/00/93/846400093.db2.gz LAMKXGQRGZCWDN-LJQANCHMSA-N 2 1 398.551 3.560 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502747349 846427885 /nfs/dbraw/zinc/42/78/85/846427885.db2.gz DYFRKGHILYODBG-RTBURBONSA-N 2 1 397.567 3.790 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000502821977 846515656 /nfs/dbraw/zinc/51/56/56/846515656.db2.gz AOYIJGVEWPJNMK-RBBKRZOGSA-N 2 1 386.584 3.635 20 0 GHADMP Cn1c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc2cc(Cl)ccc21 ZINC000501039789 846563649 /nfs/dbraw/zinc/56/36/49/846563649.db2.gz NSIHUKPXOIVINQ-UHFFFAOYSA-N 2 1 383.927 3.970 20 0 GHADMP Cc1cc(-c2nnc(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)o2)c(C)o1 ZINC000501040891 846564397 /nfs/dbraw/zinc/56/43/97/846564397.db2.gz TZGJECFOUKBGMA-UHFFFAOYSA-N 2 1 381.480 3.690 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501049381 846577052 /nfs/dbraw/zinc/57/70/52/846577052.db2.gz YQOKNYUIQWXZDK-FQEVSTJZSA-N 2 1 394.563 3.724 20 0 GHADMP Fc1ccc(Oc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cn2)cc1 ZINC000657363919 846586272 /nfs/dbraw/zinc/58/62/72/846586272.db2.gz DAFWIWLZJVJVDW-GOSISDBHSA-N 2 1 385.483 3.604 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502884684 846596825 /nfs/dbraw/zinc/59/68/25/846596825.db2.gz IYUSSOJPIWHCDP-MNEFBYGVSA-N 2 1 383.939 3.755 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501067658 846599132 /nfs/dbraw/zinc/59/91/32/846599132.db2.gz IKTOCQRXCWBIHA-KRWDZBQOSA-N 2 1 398.576 3.979 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)c(F)c1 ZINC000421817292 846616465 /nfs/dbraw/zinc/61/64/65/846616465.db2.gz SVCFEWCJLQZERD-QHCPKHFHSA-N 2 1 384.495 3.907 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000503075017 846777378 /nfs/dbraw/zinc/77/73/78/846777378.db2.gz MLDAMYICKOSVBY-UHFFFAOYSA-N 2 1 382.552 3.828 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 ZINC000503075017 846777384 /nfs/dbraw/zinc/77/73/84/846777384.db2.gz MLDAMYICKOSVBY-UHFFFAOYSA-N 2 1 382.552 3.828 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000582319248 846859358 /nfs/dbraw/zinc/85/93/58/846859358.db2.gz MGSXXFUXYISODN-YDHSSHFGSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-n2ccnn2)c1 ZINC000582319248 846859362 /nfs/dbraw/zinc/85/93/62/846859362.db2.gz MGSXXFUXYISODN-YDHSSHFGSA-N 2 1 375.520 3.829 20 0 GHADMP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582364993 846953908 /nfs/dbraw/zinc/95/39/08/846953908.db2.gz CUKDRBJIRAWRDU-UHFFFAOYSA-N 2 1 391.437 3.812 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000582364993 846953915 /nfs/dbraw/zinc/95/39/15/846953915.db2.gz CUKDRBJIRAWRDU-UHFFFAOYSA-N 2 1 391.437 3.812 20 0 GHADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](c2ccccc2)C1 ZINC000647249399 846956585 /nfs/dbraw/zinc/95/65/85/846956585.db2.gz XOEWZLBPSWATJW-GGAORHGYSA-N 2 1 378.495 3.506 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)[C@H](c2ccccc2)C1 ZINC000647249399 846956595 /nfs/dbraw/zinc/95/65/95/846956595.db2.gz XOEWZLBPSWATJW-GGAORHGYSA-N 2 1 378.495 3.506 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000501556121 847018069 /nfs/dbraw/zinc/01/80/69/847018069.db2.gz ZZKUJZHJNBONQS-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272336857 847053738 /nfs/dbraw/zinc/05/37/38/847053738.db2.gz BABPUNHAFAZSEI-MDNUFGMLSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000501613933 847058055 /nfs/dbraw/zinc/05/80/55/847058055.db2.gz GKAQCILYBICSGU-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000501613933 847058061 /nfs/dbraw/zinc/05/80/61/847058061.db2.gz GKAQCILYBICSGU-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000420304961 847106392 /nfs/dbraw/zinc/10/63/92/847106392.db2.gz PATGDEQLSJQMSH-INIZCTEOSA-N 2 1 375.310 3.558 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000420304961 847106395 /nfs/dbraw/zinc/10/63/95/847106395.db2.gz PATGDEQLSJQMSH-INIZCTEOSA-N 2 1 375.310 3.558 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000420368941 847143881 /nfs/dbraw/zinc/14/38/81/847143881.db2.gz XBJAMIWGOJAHRV-OALUTQOASA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000420368941 847143887 /nfs/dbraw/zinc/14/38/87/847143887.db2.gz XBJAMIWGOJAHRV-OALUTQOASA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000420368941 847143893 /nfs/dbraw/zinc/14/38/93/847143893.db2.gz XBJAMIWGOJAHRV-OALUTQOASA-N 2 1 378.520 3.802 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@H](c1cccs1)c1ccccc1 ZINC000420378702 847147663 /nfs/dbraw/zinc/14/76/63/847147663.db2.gz BKXTXUJPXUOMTA-VIZSFHNOSA-N 2 1 397.588 3.808 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272711364 847152544 /nfs/dbraw/zinc/15/25/44/847152544.db2.gz CQYVBTOSAWMCMV-ZTCOLXNVSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272711363 847152554 /nfs/dbraw/zinc/15/25/54/847152554.db2.gz CQYVBTOSAWMCMV-TUACAJSNSA-N 2 1 391.559 3.535 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000501811581 847192336 /nfs/dbraw/zinc/19/23/36/847192336.db2.gz HNWJNPWZZQXURG-GOSISDBHSA-N 2 1 393.547 3.532 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000501793167 847195307 /nfs/dbraw/zinc/19/53/07/847195307.db2.gz LAXYOWHMUPEKJH-HXUWFJFHSA-N 2 1 389.584 3.701 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429739 847244036 /nfs/dbraw/zinc/24/40/36/847244036.db2.gz KAFPPSVIBVRJCC-APTRMMRNSA-N 2 1 380.532 3.855 20 0 GHADMP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000511126646 847255514 /nfs/dbraw/zinc/25/55/14/847255514.db2.gz ZUSBROQAWCQWNN-QHCPKHFHSA-N 2 1 391.559 3.604 20 0 GHADMP CC(C)(CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000511126646 847255528 /nfs/dbraw/zinc/25/55/28/847255528.db2.gz ZUSBROQAWCQWNN-QHCPKHFHSA-N 2 1 391.559 3.604 20 0 GHADMP CC(C)(CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000511126646 847255536 /nfs/dbraw/zinc/25/55/36/847255536.db2.gz ZUSBROQAWCQWNN-QHCPKHFHSA-N 2 1 391.559 3.604 20 0 GHADMP c1ccc(COC[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420918598 847539250 /nfs/dbraw/zinc/53/92/50/847539250.db2.gz WPSAFAZZCDFALM-XMMPIXPASA-N 2 1 380.532 3.558 20 0 GHADMP c1ccc(COC[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420918598 847539259 /nfs/dbraw/zinc/53/92/59/847539259.db2.gz WPSAFAZZCDFALM-XMMPIXPASA-N 2 1 380.532 3.558 20 0 GHADMP Cc1cccc(NC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000420939495 847559288 /nfs/dbraw/zinc/55/92/88/847559288.db2.gz QKBHXOBXCILRAU-UHFFFAOYSA-N 2 1 379.548 3.904 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000502158448 847562222 /nfs/dbraw/zinc/56/22/22/847562222.db2.gz POESXWSECYAZPU-FMWKFLBASA-N 2 1 398.551 3.529 20 0 GHADMP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000420946611 847568637 /nfs/dbraw/zinc/56/86/37/847568637.db2.gz BCSWQBFHYPBBJL-DHIUTWEWSA-N 2 1 399.966 3.707 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@H+](Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000420982001 847587587 /nfs/dbraw/zinc/58/75/87/847587587.db2.gz NZJNRSLIAHLYIN-UHFFFAOYSA-N 2 1 384.593 3.802 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000420982001 847587595 /nfs/dbraw/zinc/58/75/95/847587595.db2.gz NZJNRSLIAHLYIN-UHFFFAOYSA-N 2 1 384.593 3.802 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000626017050 847614583 /nfs/dbraw/zinc/61/45/83/847614583.db2.gz UXWXBPLYNIOKPX-QLBRKBSLSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000626017050 847614588 /nfs/dbraw/zinc/61/45/88/847614588.db2.gz UXWXBPLYNIOKPX-QLBRKBSLSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000626017050 847614592 /nfs/dbraw/zinc/61/45/92/847614592.db2.gz UXWXBPLYNIOKPX-QLBRKBSLSA-N 2 1 391.559 3.501 20 0 GHADMP OCC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCC[C@H](CCO)CC3)c2)CC1 ZINC000421022679 847644138 /nfs/dbraw/zinc/64/41/38/847644138.db2.gz UYQISNCQXSVNGO-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP OCC[C@@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@H](CCO)CC3)c2)CC1 ZINC000421022679 847644144 /nfs/dbraw/zinc/64/41/44/847644144.db2.gz UYQISNCQXSVNGO-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP OCC[C@@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@H](CCO)CC3)c2)CC1 ZINC000421022679 847644151 /nfs/dbraw/zinc/64/41/51/847644151.db2.gz UYQISNCQXSVNGO-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000503416700 847681456 /nfs/dbraw/zinc/68/14/56/847681456.db2.gz WZPFNVSGYROGCA-LRSLUSHPSA-N 2 1 392.632 3.506 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C(=O)OC)co3)CC2)cs1 ZINC000375720076 847770760 /nfs/dbraw/zinc/77/07/60/847770760.db2.gz PWNWHORVJGZWKX-CQSZACIVSA-N 2 1 391.537 3.648 20 0 GHADMP COc1cc(F)c([C@H](C)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422732298 847787369 /nfs/dbraw/zinc/78/73/69/847787369.db2.gz PMTJAOUJEQXTMG-GKIWIXTESA-N 2 1 386.467 3.749 20 0 GHADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422716406 847793261 /nfs/dbraw/zinc/79/32/61/847793261.db2.gz UNKOZVGFRACKIZ-YPAWHYETSA-N 2 1 397.519 3.519 20 0 GHADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422811811 847835438 /nfs/dbraw/zinc/83/54/38/847835438.db2.gz PNRODOPTPAJDBA-JZOVEWSMSA-N 2 1 385.596 3.696 20 0 GHADMP CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422889425 847872569 /nfs/dbraw/zinc/87/25/69/847872569.db2.gz PLZWEQDYMNBFEW-PWRODBHTSA-N 2 1 392.609 3.658 20 0 GHADMP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000604170998 861923560 /nfs/dbraw/zinc/92/35/60/861923560.db2.gz HVKIGDZJZLEGCJ-SJBKTWHCSA-N 2 1 386.584 3.776 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000600426348 861923988 /nfs/dbraw/zinc/92/39/88/861923988.db2.gz BCMZWRYUJMLVEI-FQEVSTJZSA-N 2 1 385.596 3.915 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000657688768 848634552 /nfs/dbraw/zinc/63/45/52/848634552.db2.gz JSKIQEXNJXXZSD-NZQKXSOJSA-N 2 1 384.543 3.567 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)c2)C[C@@H](C)O1 ZINC000582903295 848674922 /nfs/dbraw/zinc/67/49/22/848674922.db2.gz ZNNWRQKWHKFUBY-JBYIUTFZSA-N 2 1 395.547 3.961 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000583028761 848912262 /nfs/dbraw/zinc/91/22/62/848912262.db2.gz ULIPOZLDDQYTFO-DUVNUKRYSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000583028761 848912269 /nfs/dbraw/zinc/91/22/69/848912269.db2.gz ULIPOZLDDQYTFO-DUVNUKRYSA-N 2 1 376.298 3.663 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000604195597 861961814 /nfs/dbraw/zinc/96/18/14/861961814.db2.gz OVXVSHUALLSZJT-NRFANRHFSA-N 2 1 396.579 3.589 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@H](C)C1 ZINC000154321745 849240362 /nfs/dbraw/zinc/24/03/62/849240362.db2.gz CGMVAONXVZDTPI-GCJKJVERSA-N 2 1 382.552 3.626 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000583309925 849601285 /nfs/dbraw/zinc/60/12/85/849601285.db2.gz XBVKSQTXELMOLT-SFHVURJKSA-N 2 1 380.483 3.570 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000583333199 849645627 /nfs/dbraw/zinc/64/56/27/849645627.db2.gz IUYBNMUWVSXZQG-ODTAKUCXSA-N 2 1 395.591 3.953 20 0 GHADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423097492 849742079 /nfs/dbraw/zinc/74/20/79/849742079.db2.gz BBGILIGKCHKDBT-NFBKMPQASA-N 2 1 381.495 3.771 20 0 GHADMP COCc1nc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(-c2ccccc2)s1 ZINC000423114517 849744429 /nfs/dbraw/zinc/74/44/29/849744429.db2.gz ZLLUMLARXMHEKN-CQSZACIVSA-N 2 1 382.533 3.969 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423364176 849886541 /nfs/dbraw/zinc/88/65/41/849886541.db2.gz JSNKAKMWCYMRIN-HXAVASGUSA-N 2 1 380.479 3.512 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000156368323 849887282 /nfs/dbraw/zinc/88/72/82/849887282.db2.gz UHMCZIOYJAQVJL-NOTZXAQLSA-N 2 1 377.532 3.674 20 0 GHADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423397416 849901363 /nfs/dbraw/zinc/90/13/63/849901363.db2.gz SSVZZJOEEHMXMG-NNMXDRDESA-N 2 1 386.561 3.656 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)sc1Br ZINC000423508995 849960668 /nfs/dbraw/zinc/96/06/68/849960668.db2.gz LVIAROONTATHSL-WLYUNCDWSA-N 2 1 386.403 3.686 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1F ZINC000423521773 849966353 /nfs/dbraw/zinc/96/63/53/849966353.db2.gz SZRCIJDGEZNZDQ-PEVXEQIPSA-N 2 1 389.559 3.667 20 0 GHADMP CC(C)(C)OC(=O)Nc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccn1 ZINC001167964743 850059541 /nfs/dbraw/zinc/05/95/41/850059541.db2.gz XFJMHCNRAADBIC-YQQQUEKLSA-N 2 1 386.540 3.924 20 0 GHADMP CC(C)(C)OC(=O)Nc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccn1 ZINC001167964743 850059549 /nfs/dbraw/zinc/05/95/49/850059549.db2.gz XFJMHCNRAADBIC-YQQQUEKLSA-N 2 1 386.540 3.924 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1 ZINC000423806876 850064396 /nfs/dbraw/zinc/06/43/96/850064396.db2.gz IZTCQPMHJLWRAD-LBPRGKRZSA-N 2 1 376.298 3.783 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000423837684 850070375 /nfs/dbraw/zinc/07/03/75/850070375.db2.gz BGQVJXCJARJSRM-LJQANCHMSA-N 2 1 377.532 3.835 20 0 GHADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000518769013 850091911 /nfs/dbraw/zinc/09/19/11/850091911.db2.gz AIKZWZXRSCEAFP-QFIPXVFZSA-N 2 1 377.532 3.512 20 0 GHADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000518769013 850091920 /nfs/dbraw/zinc/09/19/20/850091920.db2.gz AIKZWZXRSCEAFP-QFIPXVFZSA-N 2 1 377.532 3.512 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000486912462 850229048 /nfs/dbraw/zinc/22/90/48/850229048.db2.gz UPJBIGJQIITCFL-TZIWHRDSSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000424301523 850343057 /nfs/dbraw/zinc/34/30/57/850343057.db2.gz XMWKLPNMJSUUOF-ZIAGYGMSSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424283710 850353415 /nfs/dbraw/zinc/35/34/15/850353415.db2.gz BOGCZJNTXLAYTI-LBPRGKRZSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424283710 850353423 /nfs/dbraw/zinc/35/34/23/850353423.db2.gz BOGCZJNTXLAYTI-LBPRGKRZSA-N 2 1 389.849 3.761 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000514831579 850363836 /nfs/dbraw/zinc/36/38/36/850363836.db2.gz DHHCQUHWGJDTKJ-HFRUMSELSA-N 2 1 393.522 3.649 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000514831579 850363842 /nfs/dbraw/zinc/36/38/42/850363842.db2.gz DHHCQUHWGJDTKJ-HFRUMSELSA-N 2 1 393.522 3.649 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000669714390 862125387 /nfs/dbraw/zinc/12/53/87/862125387.db2.gz BEFLBHMJZXHJNE-FQEVSTJZSA-N 2 1 382.552 3.539 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCCOc1ccc(F)cc1 ZINC000414784860 850420751 /nfs/dbraw/zinc/42/07/51/850420751.db2.gz ICVLAUBEHXHKDA-UHFFFAOYSA-N 2 1 388.483 3.524 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435379891 850445635 /nfs/dbraw/zinc/44/56/35/850445635.db2.gz LBMPDWLGCKXEDX-GHTZIAJQSA-N 2 1 375.520 3.553 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1Cl ZINC000505685821 850468130 /nfs/dbraw/zinc/46/81/30/850468130.db2.gz HEOPPWBAQOBXAR-SLFFLAALSA-N 2 1 392.975 3.649 20 0 GHADMP COCCOc1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435433279 850491426 /nfs/dbraw/zinc/49/14/26/850491426.db2.gz QVKZWOIGFSCBFR-NRFANRHFSA-N 2 1 386.561 3.918 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515017919 850599050 /nfs/dbraw/zinc/59/90/50/850599050.db2.gz ABQYVESCCOWGBP-RTWAWAEBSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515017919 850599059 /nfs/dbraw/zinc/59/90/59/850599059.db2.gz ABQYVESCCOWGBP-RTWAWAEBSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000515017919 850599067 /nfs/dbraw/zinc/59/90/67/850599067.db2.gz ABQYVESCCOWGBP-RTWAWAEBSA-N 2 1 395.522 3.917 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000505141801 850644411 /nfs/dbraw/zinc/64/44/11/850644411.db2.gz NLORJONOKQJJGD-ZWKOTPCHSA-N 2 1 385.474 3.689 20 0 GHADMP O=C(c1ccccc1Cl)N1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000414815521 850706505 /nfs/dbraw/zinc/70/65/05/850706505.db2.gz UMHOFHUHZBLNEM-UHFFFAOYSA-N 2 1 377.960 3.847 20 0 GHADMP Fc1ccc(OCCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687266 850753379 /nfs/dbraw/zinc/75/33/79/850753379.db2.gz DEIJVNJDHDJOGR-GOSISDBHSA-N 2 1 375.513 3.695 20 0 GHADMP Fc1ccc(OCCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687266 850753387 /nfs/dbraw/zinc/75/33/87/850753387.db2.gz DEIJVNJDHDJOGR-GOSISDBHSA-N 2 1 375.513 3.695 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000519206182 850759681 /nfs/dbraw/zinc/75/96/81/850759681.db2.gz OWRSJJCBNFNXDM-NFBKMPQASA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000440086481 850776292 /nfs/dbraw/zinc/77/62/92/850776292.db2.gz HAIYCXMIOOKRCQ-UHFFFAOYSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000519225948 850780200 /nfs/dbraw/zinc/78/02/00/850780200.db2.gz ADPJMBADTWKDNA-MSOLQXFVSA-N 2 1 377.548 3.835 20 0 GHADMP Clc1cccc(-c2cnc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)o2)c1 ZINC000513817619 850909725 /nfs/dbraw/zinc/90/97/25/850909725.db2.gz LMGYCIGTOZFQEY-UHFFFAOYSA-N 2 1 389.927 3.929 20 0 GHADMP CC[C@H](C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000519432639 851060957 /nfs/dbraw/zinc/06/09/57/851060957.db2.gz USCHIBZLUVNQLG-RTWAWAEBSA-N 2 1 383.536 3.752 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000488030999 851095953 /nfs/dbraw/zinc/09/59/53/851095953.db2.gz CLCSWMJULFYDNO-LLGFUMIMSA-N 2 1 385.939 3.770 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H]2CCC[C@@H]21 ZINC000514103270 851240345 /nfs/dbraw/zinc/24/03/45/851240345.db2.gz AZLQOQIWLRPZHP-VABKMULXSA-N 2 1 376.548 3.607 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167960470 851270575 /nfs/dbraw/zinc/27/05/75/851270575.db2.gz ZCGPXPWMUBIWFI-IHWFROFDSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167969488 851378702 /nfs/dbraw/zinc/37/87/02/851378702.db2.gz CZLLLRDYSMGYQG-YGFFAISXSA-N 2 1 379.589 3.921 20 0 GHADMP CN(C(=O)c1sccc1C[NH+](C)C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434645627 851398354 /nfs/dbraw/zinc/39/83/54/851398354.db2.gz LXDGOEPJVXSPGJ-UHFFFAOYSA-N 2 1 387.549 3.561 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000488346021 851414147 /nfs/dbraw/zinc/41/41/47/851414147.db2.gz PJKKVLBRGAZGQP-OAHLLOKOSA-N 2 1 398.378 3.978 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)cc1 ZINC000505458614 851424859 /nfs/dbraw/zinc/42/48/59/851424859.db2.gz BHAYTVJEGXTBMZ-JOCHJYFZSA-N 2 1 383.511 3.844 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000111231381 851577345 /nfs/dbraw/zinc/57/73/45/851577345.db2.gz RXINIBLWQYHWOS-IBGZPJMESA-N 2 1 399.501 3.576 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000111231381 851577349 /nfs/dbraw/zinc/57/73/49/851577349.db2.gz RXINIBLWQYHWOS-IBGZPJMESA-N 2 1 399.501 3.576 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000101531494 851645376 /nfs/dbraw/zinc/64/53/76/851645376.db2.gz UBDAIEOVYXVNDC-UHFFFAOYSA-N 2 1 379.548 3.529 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)c1 ZINC000473733230 851787321 /nfs/dbraw/zinc/78/73/21/851787321.db2.gz KXEXQUXXEFKSAM-FGZHOGPDSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000473733230 851787331 /nfs/dbraw/zinc/78/73/31/851787331.db2.gz KXEXQUXXEFKSAM-FGZHOGPDSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000473733230 851787340 /nfs/dbraw/zinc/78/73/40/851787340.db2.gz KXEXQUXXEFKSAM-FGZHOGPDSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428315172 862293737 /nfs/dbraw/zinc/29/37/37/862293737.db2.gz YPRORUAFDKWWOI-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP CC1(C)C[N@H+](Cc2cn(CC3CC3)nn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837943 851896856 /nfs/dbraw/zinc/89/68/56/851896856.db2.gz QFCAXTXHNUQHPR-QHCPKHFHSA-N 2 1 393.579 3.811 20 0 GHADMP CC1(C)C[N@@H+](Cc2cn(CC3CC3)nn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837943 851896863 /nfs/dbraw/zinc/89/68/63/851896863.db2.gz QFCAXTXHNUQHPR-QHCPKHFHSA-N 2 1 393.579 3.811 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167977218 851914341 /nfs/dbraw/zinc/91/43/41/851914341.db2.gz AOAGVZHMTMKQQG-UDEWTMQYSA-N 2 1 391.563 3.594 20 0 GHADMP Cc1cc(C)c(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c(C)c1 ZINC000048778058 851966766 /nfs/dbraw/zinc/96/67/66/851966766.db2.gz BVUDSGNTOJJIFE-UHFFFAOYSA-N 2 1 395.547 3.562 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000489078999 851985680 /nfs/dbraw/zinc/98/56/80/851985680.db2.gz SEKSGUCJLSKWBU-MOPGFXCFSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000050110267 852016643 /nfs/dbraw/zinc/01/66/43/852016643.db2.gz RCXNBQMMZDQFAF-MOPGFXCFSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050110267 852016651 /nfs/dbraw/zinc/01/66/51/852016651.db2.gz RCXNBQMMZDQFAF-MOPGFXCFSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050110267 852016658 /nfs/dbraw/zinc/01/66/58/852016658.db2.gz RCXNBQMMZDQFAF-MOPGFXCFSA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550250396 852134028 /nfs/dbraw/zinc/13/40/28/852134028.db2.gz PPIHNJLSBFZOHK-XMMPIXPASA-N 2 1 393.575 3.720 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000517639306 852195929 /nfs/dbraw/zinc/19/59/29/852195929.db2.gz JOSUUGCBXUUYQN-QKLQHJQFSA-N 2 1 379.976 3.817 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000517639306 852195935 /nfs/dbraw/zinc/19/59/35/852195935.db2.gz JOSUUGCBXUUYQN-QKLQHJQFSA-N 2 1 379.976 3.817 20 0 GHADMP C[N@@H+](CCCc1ccccc1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506907337 852309411 /nfs/dbraw/zinc/30/94/11/852309411.db2.gz CFLUFFPAGAPYPL-UHFFFAOYSA-N 2 1 397.588 3.739 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638747159 852329190 /nfs/dbraw/zinc/32/91/90/852329190.db2.gz BKBWYJSRHNOFGA-DDKRZIBASA-N 3 1 397.607 3.712 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000426810444 852421497 /nfs/dbraw/zinc/42/14/97/852421497.db2.gz ZORKBODBJFGZEZ-SZPZYZBQSA-N 2 1 388.596 3.847 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OC(C)(C)C ZINC000438483649 852460340 /nfs/dbraw/zinc/46/03/40/852460340.db2.gz NQGHCQCGKVHETG-GOSISDBHSA-N 2 1 390.572 3.744 20 0 GHADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2)C[C@H](C)O1 ZINC000426870142 852483641 /nfs/dbraw/zinc/48/36/41/852483641.db2.gz ADIJAHPNIOUHGJ-OALUTQOASA-N 2 1 387.568 3.746 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000489753992 852572080 /nfs/dbraw/zinc/57/20/80/852572080.db2.gz IIDRMXHQPHXOCC-STZQEDGTSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414935425 852580240 /nfs/dbraw/zinc/58/02/40/852580240.db2.gz GBDXVAMGIMSIKG-KSSFIOAISA-N 2 1 390.325 3.511 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]3C[NH+]3CCCC3)c2c1C ZINC000489901792 852635149 /nfs/dbraw/zinc/63/51/49/852635149.db2.gz XTEVAJGSCOUCMR-SFHVURJKSA-N 2 1 399.608 3.969 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000489903889 852636144 /nfs/dbraw/zinc/63/61/44/852636144.db2.gz HTBVQCVPAHXPMJ-XMMPIXPASA-N 2 1 393.575 3.847 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000489903889 852636147 /nfs/dbraw/zinc/63/61/47/852636147.db2.gz HTBVQCVPAHXPMJ-XMMPIXPASA-N 2 1 393.575 3.847 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000489903889 852636157 /nfs/dbraw/zinc/63/61/57/852636157.db2.gz HTBVQCVPAHXPMJ-XMMPIXPASA-N 2 1 393.575 3.847 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000489903889 852636162 /nfs/dbraw/zinc/63/61/62/852636162.db2.gz HTBVQCVPAHXPMJ-XMMPIXPASA-N 2 1 393.575 3.847 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506311253 852686020 /nfs/dbraw/zinc/68/60/20/852686020.db2.gz VQXIVTFUJNNMMC-GHTZIAJQSA-N 2 1 396.535 3.584 20 0 GHADMP COc1cccc(C(=O)C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167985029 852733803 /nfs/dbraw/zinc/73/38/03/852733803.db2.gz SJVGFQJIVWBNHH-CBQGHPETSA-N 2 1 382.548 3.995 20 0 GHADMP COc1cccc(C(=O)C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167985029 852733806 /nfs/dbraw/zinc/73/38/06/852733806.db2.gz SJVGFQJIVWBNHH-CBQGHPETSA-N 2 1 382.548 3.995 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516579425 852747930 /nfs/dbraw/zinc/74/79/30/852747930.db2.gz WTEPHPLWEFAVIC-KNQAVFIVSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000516649037 852838841 /nfs/dbraw/zinc/83/88/41/852838841.db2.gz VSJZEIDQNGUSFR-AYOQOUSVSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000516649037 852838847 /nfs/dbraw/zinc/83/88/47/852838847.db2.gz VSJZEIDQNGUSFR-AYOQOUSVSA-N 2 1 393.934 3.509 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000426173699 852925426 /nfs/dbraw/zinc/92/54/26/852925426.db2.gz IRNQYCQVHABJDB-UGKGYDQZSA-N 2 1 382.548 3.876 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(Br)c1OC(F)F ZINC000414962210 853019263 /nfs/dbraw/zinc/01/92/63/853019263.db2.gz SHXBNSUYNUGNQB-GWCFXTLKSA-N 2 1 393.272 3.537 20 0 GHADMP CCC[N@H+](Cc1cccc(O)c1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000490594705 853122677 /nfs/dbraw/zinc/12/26/77/853122677.db2.gz ZMSJVLAEDXHMOA-UHFFFAOYSA-N 2 1 384.524 3.689 20 0 GHADMP CCC[N@@H+](Cc1cccc(O)c1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000490594705 853122683 /nfs/dbraw/zinc/12/26/83/853122683.db2.gz ZMSJVLAEDXHMOA-UHFFFAOYSA-N 2 1 384.524 3.689 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000516927559 853165186 /nfs/dbraw/zinc/16/51/86/853165186.db2.gz PYLBHASNMHNBQV-ZDUSSCGKSA-N 2 1 389.284 3.872 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490780000 853255313 /nfs/dbraw/zinc/25/53/13/853255313.db2.gz DDLHGOZIBQABDU-UCNVEGJOSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490780000 853255319 /nfs/dbraw/zinc/25/53/19/853255319.db2.gz DDLHGOZIBQABDU-UCNVEGJOSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426286837 853336904 /nfs/dbraw/zinc/33/69/04/853336904.db2.gz SMSSKTTXQOEZBD-GHTZIAJQSA-N 2 1 375.516 3.539 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536262601 853339135 /nfs/dbraw/zinc/33/91/35/853339135.db2.gz GVRSTKAAMAJEMT-RJGXRXQPSA-N 2 1 377.532 3.603 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536262601 853339144 /nfs/dbraw/zinc/33/91/44/853339144.db2.gz GVRSTKAAMAJEMT-RJGXRXQPSA-N 2 1 377.532 3.603 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536262601 853339149 /nfs/dbraw/zinc/33/91/49/853339149.db2.gz GVRSTKAAMAJEMT-RJGXRXQPSA-N 2 1 377.532 3.603 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536262601 853339157 /nfs/dbraw/zinc/33/91/57/853339157.db2.gz GVRSTKAAMAJEMT-RJGXRXQPSA-N 2 1 377.532 3.603 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000519647091 853354908 /nfs/dbraw/zinc/35/49/08/853354908.db2.gz MGUQKRVNZHWECM-UHFFFAOYSA-N 2 1 389.559 3.759 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167987921 853391451 /nfs/dbraw/zinc/39/14/51/853391451.db2.gz NPWRJMDURXBBHC-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167987921 853391461 /nfs/dbraw/zinc/39/14/61/853391461.db2.gz NPWRJMDURXBBHC-QNLWVQNGSA-N 2 1 389.584 3.867 20 0 GHADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057363 853430290 /nfs/dbraw/zinc/43/02/90/853430290.db2.gz LMAVBCKEAJDPTD-FQEVSTJZSA-N 2 1 397.563 3.651 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000473885662 853499448 /nfs/dbraw/zinc/49/94/48/853499448.db2.gz OCCQUYDXUUPHBD-CEWLAPEOSA-N 2 1 398.551 3.749 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473885662 853499456 /nfs/dbraw/zinc/49/94/56/853499456.db2.gz OCCQUYDXUUPHBD-CEWLAPEOSA-N 2 1 398.551 3.749 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415939313 853649609 /nfs/dbraw/zinc/64/96/09/853649609.db2.gz QNMXULTYJJZBON-NQIIRXRSSA-N 2 1 396.535 3.541 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000518709038 853671831 /nfs/dbraw/zinc/67/18/31/853671831.db2.gz GQZUNJVKZUQAOZ-QFIPXVFZSA-N 2 1 388.600 3.934 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000506162692 853683533 /nfs/dbraw/zinc/68/35/33/853683533.db2.gz DELSGXJCNOBSAJ-UHFFFAOYSA-N 2 1 389.547 3.646 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)CC1 ZINC000506162692 853683539 /nfs/dbraw/zinc/68/35/39/853683539.db2.gz DELSGXJCNOBSAJ-UHFFFAOYSA-N 2 1 389.547 3.646 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]3O2)n1 ZINC001168378004 853718000 /nfs/dbraw/zinc/71/80/00/853718000.db2.gz JJIUUOQZQMZAFD-YUXAGFNASA-N 2 1 384.568 3.626 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](C4CC[NH+](CC5CC5)CC4)C[C@H]3O2)n1 ZINC001168378004 853718006 /nfs/dbraw/zinc/71/80/06/853718006.db2.gz JJIUUOQZQMZAFD-YUXAGFNASA-N 2 1 384.568 3.626 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)c2cccs2)CC1 ZINC000520190535 853939457 /nfs/dbraw/zinc/93/94/57/853939457.db2.gz XQWPMWQULUOALL-MRXNPFEDSA-N 2 1 378.611 3.580 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000571565927 853951173 /nfs/dbraw/zinc/95/11/73/853951173.db2.gz NPLFBCIMYODJRS-BHIYHBOVSA-N 2 1 397.485 3.737 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccccc3OC)cc2)CC1 ZINC000520203040 853952136 /nfs/dbraw/zinc/95/21/36/853952136.db2.gz BGJMWSFNTKHLKX-SOFGYWHQSA-N 2 1 379.548 3.636 20 0 GHADMP CC(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000441148408 853960811 /nfs/dbraw/zinc/96/08/11/853960811.db2.gz TXABJVRHZWMHIP-KDURUIRLSA-N 2 1 388.552 3.573 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441183987 853988756 /nfs/dbraw/zinc/98/87/56/853988756.db2.gz UJXSUMAHDQNBBF-ZLNRFVROSA-N 2 1 393.531 3.622 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441183987 853988762 /nfs/dbraw/zinc/98/87/62/853988762.db2.gz UJXSUMAHDQNBBF-ZLNRFVROSA-N 2 1 393.531 3.622 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2OC2CCCC2)CC1(C)C ZINC000441373588 854156754 /nfs/dbraw/zinc/15/67/54/854156754.db2.gz BTZLNPPQUTTWEA-UHFFFAOYSA-N 2 1 379.976 3.777 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441411416 854190227 /nfs/dbraw/zinc/19/02/27/854190227.db2.gz NFIWQWJGVQCTTG-DNVCBOLYSA-N 2 1 384.442 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441411416 854190235 /nfs/dbraw/zinc/19/02/35/854190235.db2.gz NFIWQWJGVQCTTG-DNVCBOLYSA-N 2 1 384.442 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441411416 854190241 /nfs/dbraw/zinc/19/02/41/854190241.db2.gz NFIWQWJGVQCTTG-DNVCBOLYSA-N 2 1 384.442 3.913 20 0 GHADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000623950039 862541848 /nfs/dbraw/zinc/54/18/48/862541848.db2.gz LNQVTHZVABVLPS-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000623950039 862541854 /nfs/dbraw/zinc/54/18/54/862541854.db2.gz LNQVTHZVABVLPS-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000623950039 862541857 /nfs/dbraw/zinc/54/18/57/862541857.db2.gz LNQVTHZVABVLPS-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000623950039 862541864 /nfs/dbraw/zinc/54/18/64/862541864.db2.gz LNQVTHZVABVLPS-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168047502 862558897 /nfs/dbraw/zinc/55/88/97/862558897.db2.gz RXAHXAQJFGAXDF-PPAVOTHMSA-N 2 1 395.591 3.903 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047502 862558898 /nfs/dbraw/zinc/55/88/98/862558898.db2.gz RXAHXAQJFGAXDF-PPAVOTHMSA-N 2 1 395.591 3.903 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047502 862558904 /nfs/dbraw/zinc/55/89/04/862558904.db2.gz RXAHXAQJFGAXDF-PPAVOTHMSA-N 2 1 395.591 3.903 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047502 862558907 /nfs/dbraw/zinc/55/89/07/862558907.db2.gz RXAHXAQJFGAXDF-PPAVOTHMSA-N 2 1 395.591 3.903 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000572149619 854388637 /nfs/dbraw/zinc/38/86/37/854388637.db2.gz MIGLLIIQUHXRLK-FTBPSBKWSA-N 2 1 396.575 3.783 20 0 GHADMP CC[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994277 854436607 /nfs/dbraw/zinc/43/66/07/854436607.db2.gz BCLDKJJSHNWABN-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP CC[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994277 854436614 /nfs/dbraw/zinc/43/66/14/854436614.db2.gz BCLDKJJSHNWABN-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP CC[NH+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994277 854436620 /nfs/dbraw/zinc/43/66/20/854436620.db2.gz BCLDKJJSHNWABN-BMHONFFRSA-N 2 1 377.573 3.723 20 0 GHADMP O=c1oc2ccccc2n1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995725 854536426 /nfs/dbraw/zinc/53/64/26/854536426.db2.gz OWVPBDRJPBTNSW-YOFSQIOKSA-N 2 1 381.520 3.637 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)CC1 ZINC000069765555 854693615 /nfs/dbraw/zinc/69/36/15/854693615.db2.gz RDNTXFPWYWZIPE-FQEVSTJZSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000069765555 854693617 /nfs/dbraw/zinc/69/36/17/854693617.db2.gz RDNTXFPWYWZIPE-FQEVSTJZSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000069765555 854693620 /nfs/dbraw/zinc/69/36/20/854693620.db2.gz RDNTXFPWYWZIPE-FQEVSTJZSA-N 2 1 386.584 3.544 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765791552 854820455 /nfs/dbraw/zinc/82/04/55/854820455.db2.gz MUBWYLBMKBYSKW-PUHATCMVSA-N 2 1 384.495 3.571 20 0 GHADMP COc1ccc([C@H](Cc2ccc(F)cc2)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765791552 854820458 /nfs/dbraw/zinc/82/04/58/854820458.db2.gz MUBWYLBMKBYSKW-PUHATCMVSA-N 2 1 384.495 3.571 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572523644 854861781 /nfs/dbraw/zinc/86/17/81/854861781.db2.gz JFGQSBHQICYKGR-ISKFKSNPSA-N 2 1 392.543 3.904 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572523644 854861785 /nfs/dbraw/zinc/86/17/85/854861785.db2.gz JFGQSBHQICYKGR-ISKFKSNPSA-N 2 1 392.543 3.904 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C[NH+]1CCCC1 ZINC000616064617 854927673 /nfs/dbraw/zinc/92/76/73/854927673.db2.gz GDMXJPMYMTUUFY-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(F)cc2s1 ZINC000624650396 854990795 /nfs/dbraw/zinc/99/07/95/854990795.db2.gz ZHURGNMMVLGBTL-KRWDZBQOSA-N 2 1 377.529 3.529 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000482016038 862631469 /nfs/dbraw/zinc/63/14/69/862631469.db2.gz MRFUOGZOYOFXRZ-LPHOPBHVSA-N 2 1 395.975 3.704 20 0 GHADMP C[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C[NH+]1CCCCC1 ZINC000324254396 862638979 /nfs/dbraw/zinc/63/89/79/862638979.db2.gz BWAWQIYQSMPOBI-HNNXBMFYSA-N 2 1 397.357 3.822 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)Cc3ccc(C)cc3)CC2)CC1 ZINC000655150013 855113932 /nfs/dbraw/zinc/11/39/32/855113932.db2.gz MJBAEFGFVAUHRZ-UHFFFAOYSA-N 2 1 385.596 3.629 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccccc4Cl)CC3)CC2)CC1 ZINC000655156501 855127842 /nfs/dbraw/zinc/12/78/42/855127842.db2.gz GHNKKUNHWLBJSL-UHFFFAOYSA-N 2 1 389.971 3.642 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)CC1 ZINC000590155677 855301803 /nfs/dbraw/zinc/30/18/03/855301803.db2.gz WWIUJHBQTPHLQQ-HXUWFJFHSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000590155677 855301807 /nfs/dbraw/zinc/30/18/07/855301807.db2.gz WWIUJHBQTPHLQQ-HXUWFJFHSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000590155677 855301812 /nfs/dbraw/zinc/30/18/12/855301812.db2.gz WWIUJHBQTPHLQQ-HXUWFJFHSA-N 2 1 386.584 3.687 20 0 GHADMP CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459092120 855452279 /nfs/dbraw/zinc/45/22/79/855452279.db2.gz FROOXRVWWXVLNP-XXBNENTESA-N 2 1 398.595 3.870 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000056813616 855678517 /nfs/dbraw/zinc/67/85/17/855678517.db2.gz VHVKVSKTZGACKD-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542777468 855749287 /nfs/dbraw/zinc/74/92/87/855749287.db2.gz GZTMRVGTDQRVGT-PKOBYXMFSA-N 2 1 386.584 3.505 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000591095000 855758862 /nfs/dbraw/zinc/75/88/62/855758862.db2.gz QKFROYSXEZBAFM-UYAOXDASSA-N 2 1 399.535 3.566 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000591095000 855758866 /nfs/dbraw/zinc/75/88/66/855758866.db2.gz QKFROYSXEZBAFM-UYAOXDASSA-N 2 1 399.535 3.566 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000474707512 855774214 /nfs/dbraw/zinc/77/42/14/855774214.db2.gz ASEOOYIGOKWLST-UHFFFAOYSA-N 2 1 399.501 3.560 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591430747 855975056 /nfs/dbraw/zinc/97/50/56/855975056.db2.gz RTYUDWJVGNGTRM-VQTJNVASSA-N 2 1 387.568 3.544 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)c1ccccc1 ZINC000591463315 856002411 /nfs/dbraw/zinc/00/24/11/856002411.db2.gz HSGZEQCHJAZNGS-GCJKJVERSA-N 2 1 381.520 3.711 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)c1ccccc1 ZINC000591463315 856002419 /nfs/dbraw/zinc/00/24/19/856002419.db2.gz HSGZEQCHJAZNGS-GCJKJVERSA-N 2 1 381.520 3.711 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000303018457 856002524 /nfs/dbraw/zinc/00/25/24/856002524.db2.gz YWHQOGSCLYKVSC-BGYRXZFFSA-N 2 1 380.621 3.508 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000573317655 856073861 /nfs/dbraw/zinc/07/38/61/856073861.db2.gz QKHYPEVMABCMGE-FPOVZHCZSA-N 2 1 380.536 3.609 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000459131573 856104952 /nfs/dbraw/zinc/10/49/52/856104952.db2.gz BAHPUALSJJMDEM-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000459131573 856104956 /nfs/dbraw/zinc/10/49/56/856104956.db2.gz BAHPUALSJJMDEM-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000459131573 856104962 /nfs/dbraw/zinc/10/49/62/856104962.db2.gz BAHPUALSJJMDEM-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)o1 ZINC000674308152 856152960 /nfs/dbraw/zinc/15/29/60/856152960.db2.gz RQVNNPLKHFIQJK-QUCCMNQESA-N 2 1 383.536 3.904 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591579592 856161338 /nfs/dbraw/zinc/16/13/38/856161338.db2.gz XRFZLFFVLLIHIC-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](C2CCCC2)CC1 ZINC000674030588 862775006 /nfs/dbraw/zinc/77/50/06/862775006.db2.gz TVHCACIMVPPLEJ-NRFANRHFSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038830411 856298471 /nfs/dbraw/zinc/29/84/71/856298471.db2.gz IKJDEJZIFBSDCR-DEOSSOPVSA-N 2 1 391.559 3.811 20 0 GHADMP CC(C)CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000507712957 862782392 /nfs/dbraw/zinc/78/23/92/862782392.db2.gz GHVAAHTVPFVJIB-UHFFFAOYSA-N 2 1 375.582 3.684 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485301664 856331014 /nfs/dbraw/zinc/33/10/14/856331014.db2.gz CTACQXLYXKPNMK-GOTSBHOMSA-N 2 1 398.595 3.559 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000110742006 856651694 /nfs/dbraw/zinc/65/16/94/856651694.db2.gz LGZKXBLAXFLCNM-JOCHJYFZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000110742006 856651697 /nfs/dbraw/zinc/65/16/97/856651697.db2.gz LGZKXBLAXFLCNM-JOCHJYFZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000110742006 856651706 /nfs/dbraw/zinc/65/17/06/856651706.db2.gz LGZKXBLAXFLCNM-JOCHJYFZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000110742006 856651714 /nfs/dbraw/zinc/65/17/14/856651714.db2.gz LGZKXBLAXFLCNM-JOCHJYFZSA-N 2 1 379.548 3.633 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000508047667 856850860 /nfs/dbraw/zinc/85/08/60/856850860.db2.gz AYQXPFPZPYCLGI-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000499507510 857051241 /nfs/dbraw/zinc/05/12/41/857051241.db2.gz JMXNVOPMMIXSDP-KRWDZBQOSA-N 2 1 387.499 3.574 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592792039 857070352 /nfs/dbraw/zinc/07/03/52/857070352.db2.gz AQNJAPYEIVUEGP-FQEVSTJZSA-N 2 1 377.960 3.543 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414081011 857078972 /nfs/dbraw/zinc/07/89/72/857078972.db2.gz DSCGMBDIXWVBPH-FXAWDEMLSA-N 2 1 377.960 3.508 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000508258851 857112863 /nfs/dbraw/zinc/11/28/63/857112863.db2.gz VYELKEMYLXBSCN-DEOSSOPVSA-N 2 1 377.576 3.920 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1SC(F)F ZINC000282192041 857210758 /nfs/dbraw/zinc/21/07/58/857210758.db2.gz GHYJHVILMNLWHH-CQSZACIVSA-N 2 1 387.540 3.687 20 0 GHADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001168581803 857216959 /nfs/dbraw/zinc/21/69/59/857216959.db2.gz ZMYLMOKCPOLBAQ-MBOZVWFJSA-N 2 1 377.960 3.856 20 0 GHADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001168581803 857216965 /nfs/dbraw/zinc/21/69/65/857216965.db2.gz ZMYLMOKCPOLBAQ-MBOZVWFJSA-N 2 1 377.960 3.856 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000520814334 857229724 /nfs/dbraw/zinc/22/97/24/857229724.db2.gz XQMYXAPQNBTLKY-OHDICMOHSA-N 2 1 396.362 3.716 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNC3CC[NH+](C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315688 857358864 /nfs/dbraw/zinc/35/88/64/857358864.db2.gz ABEMWGZMHAKKRB-ISKFKSNPSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315688 857358869 /nfs/dbraw/zinc/35/88/69/857358869.db2.gz ABEMWGZMHAKKRB-ISKFKSNPSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315688 857358878 /nfs/dbraw/zinc/35/88/78/857358878.db2.gz ABEMWGZMHAKKRB-ISKFKSNPSA-N 2 1 397.607 3.522 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000061114163 857498218 /nfs/dbraw/zinc/49/82/18/857498218.db2.gz QVDXASQZNOSEAC-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)c(Cl)c1 ZINC000625719151 862922007 /nfs/dbraw/zinc/92/20/07/862922007.db2.gz FNVGAOBMVRDOON-UHFFFAOYSA-N 2 1 395.950 3.680 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000486233000 857574618 /nfs/dbraw/zinc/57/46/18/857574618.db2.gz UWJLKMFAUYIVHN-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(F)c(F)cc2Br)cc1 ZINC000671727949 857609674 /nfs/dbraw/zinc/60/96/74/857609674.db2.gz BGLXZVMGCOGBEV-UHFFFAOYSA-N 2 1 399.279 3.958 20 0 GHADMP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1Cl ZINC000676056411 857720071 /nfs/dbraw/zinc/72/00/71/857720071.db2.gz HEMLKIJVJVHRQY-AWEZNQCLSA-N 2 1 393.915 3.543 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000676390894 857850015 /nfs/dbraw/zinc/85/00/15/857850015.db2.gz CMKDZSUIDYJKKX-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000521317648 857865717 /nfs/dbraw/zinc/86/57/17/857865717.db2.gz QUANCHKQHMAYFX-QAPCUYQASA-N 2 1 385.458 3.961 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000067523988 858038156 /nfs/dbraw/zinc/03/81/56/858038156.db2.gz UKEJGIZDXHAKQH-UHFFFAOYSA-N 2 1 392.478 3.846 20 0 GHADMP C[C@H](CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451333544 858121384 /nfs/dbraw/zinc/12/13/84/858121384.db2.gz BHGGTWONNAXGRI-SVQHGHLLSA-N 2 1 392.628 3.796 20 0 GHADMP C[C@H](CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451333544 858121387 /nfs/dbraw/zinc/12/13/87/858121387.db2.gz BHGGTWONNAXGRI-SVQHGHLLSA-N 2 1 392.628 3.796 20 0 GHADMP C[C@H](CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451333544 858121392 /nfs/dbraw/zinc/12/13/92/858121392.db2.gz BHGGTWONNAXGRI-SVQHGHLLSA-N 2 1 392.628 3.796 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000442804394 858130701 /nfs/dbraw/zinc/13/07/01/858130701.db2.gz ZIQIZCQEMDNOPT-YFNKSVMNSA-N 2 1 389.543 3.814 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442797931 858140303 /nfs/dbraw/zinc/14/03/03/858140303.db2.gz XKICGECBAIBPDP-LMMKCTJWSA-N 2 1 397.485 3.519 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c2ccccc2)CC1 ZINC000521628696 858196191 /nfs/dbraw/zinc/19/61/91/858196191.db2.gz ZXMNCADZZIBJQL-XZOQPEGZSA-N 2 1 379.548 3.879 20 0 GHADMP COC(=O)COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000543093220 858311974 /nfs/dbraw/zinc/31/19/74/858311974.db2.gz YSVUDNRSHMEFBF-KNQAVFIVSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000543093220 858311985 /nfs/dbraw/zinc/31/19/85/858311985.db2.gz YSVUDNRSHMEFBF-KNQAVFIVSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000543093220 858311997 /nfs/dbraw/zinc/31/19/97/858311997.db2.gz YSVUDNRSHMEFBF-KNQAVFIVSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000543093220 858312005 /nfs/dbraw/zinc/31/20/05/858312005.db2.gz YSVUDNRSHMEFBF-KNQAVFIVSA-N 2 1 396.531 3.723 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2csc(-c3ccccc3)n2)c2cccs2)CC1 ZINC000521805598 858330612 /nfs/dbraw/zinc/33/06/12/858330612.db2.gz LXFLMGHFWJYCCR-IBGZPJMESA-N 2 1 398.601 3.950 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058028 858343249 /nfs/dbraw/zinc/34/32/49/858343249.db2.gz IVETZNBDFGBJOH-RYUDHWBXSA-N 2 1 377.838 3.747 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000605410857 863042632 /nfs/dbraw/zinc/04/26/32/863042632.db2.gz YFSMMPGJLJFNNF-QGZVFWFLSA-N 2 1 383.540 3.907 20 0 GHADMP O=C(C[N@@H+](CC1CC1)C1CCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522084540 858609158 /nfs/dbraw/zinc/60/91/58/858609158.db2.gz QGXCBRBLKASCRD-UHFFFAOYSA-N 2 1 383.580 3.943 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000595625871 858621793 /nfs/dbraw/zinc/62/17/93/858621793.db2.gz DLTZTXYEJLHDFA-JOCHJYFZSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000482643390 858718052 /nfs/dbraw/zinc/71/80/52/858718052.db2.gz RVUAQCJZBCDNND-GGAORHGYSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000657415848 858727961 /nfs/dbraw/zinc/72/79/61/858727961.db2.gz NTPPUVASNDGIDC-PZJWPPBQSA-N 3 1 375.520 3.658 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000657415848 858727966 /nfs/dbraw/zinc/72/79/66/858727966.db2.gz NTPPUVASNDGIDC-PZJWPPBQSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000657415848 858727973 /nfs/dbraw/zinc/72/79/73/858727973.db2.gz NTPPUVASNDGIDC-PZJWPPBQSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@H](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000181932079 863058488 /nfs/dbraw/zinc/05/84/88/863058488.db2.gz XMXTWXVIMGSRAY-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2C)cc1 ZINC000183676856 858793796 /nfs/dbraw/zinc/79/37/96/858793796.db2.gz VEPRNWSUMOXWMR-MOPGFXCFSA-N 2 1 390.531 3.887 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000522230313 858857540 /nfs/dbraw/zinc/85/75/40/858857540.db2.gz FUPPGPFKMRQYFH-WOJBJXKFSA-N 2 1 386.584 3.680 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnn3-c3ccccc3C)CC2)oc1C ZINC000280854287 858881968 /nfs/dbraw/zinc/88/19/68/858881968.db2.gz LNJHUSZYTLIAEX-UHFFFAOYSA-N 2 1 393.535 3.787 20 0 GHADMP CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187073170 858983177 /nfs/dbraw/zinc/98/31/77/858983177.db2.gz CGDNDBVDBCFKPA-QFIPXVFZSA-N 2 1 391.559 3.940 20 0 GHADMP CC[NH+](Cc1ccc2c(c1)CCC(=O)N2C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187073170 858983181 /nfs/dbraw/zinc/98/31/81/858983181.db2.gz CGDNDBVDBCFKPA-QFIPXVFZSA-N 2 1 391.559 3.940 20 0 GHADMP CC[NH+](Cc1ccc2c(c1)CCC(=O)N2C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187073170 858983186 /nfs/dbraw/zinc/98/31/86/858983186.db2.gz CGDNDBVDBCFKPA-QFIPXVFZSA-N 2 1 391.559 3.940 20 0 GHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NCc1ccc(Cl)s1 ZINC000443590828 859004407 /nfs/dbraw/zinc/00/44/07/859004407.db2.gz IRXHOKYOSDJUJZ-UHFFFAOYSA-N 2 1 383.989 3.606 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856551247 881369932 /nfs/dbraw/zinc/36/99/32/881369932.db2.gz NSUOMEISNBBACA-QHCPKHFHSA-N 2 1 395.547 3.554 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856551247 881369951 /nfs/dbraw/zinc/36/99/51/881369951.db2.gz NSUOMEISNBBACA-QHCPKHFHSA-N 2 1 395.547 3.554 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856551247 881369971 /nfs/dbraw/zinc/36/99/71/881369971.db2.gz NSUOMEISNBBACA-QHCPKHFHSA-N 2 1 395.547 3.554 20 0 GHADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000185016359 859032837 /nfs/dbraw/zinc/03/28/37/859032837.db2.gz VCEPNHYPQKUQNM-LJQANCHMSA-N 2 1 388.577 3.787 20 0 GHADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000185038947 859034077 /nfs/dbraw/zinc/03/40/77/859034077.db2.gz YYQODHZLLBCCIF-HSALFYBXSA-N 2 1 380.598 3.505 20 0 GHADMP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120236700 881373956 /nfs/dbraw/zinc/37/39/56/881373956.db2.gz GBBUGNHRDLZCOR-KRWDZBQOSA-N 2 1 393.522 3.730 20 0 GHADMP C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000483058776 859100822 /nfs/dbraw/zinc/10/08/22/859100822.db2.gz QTXULXUIWRBNSY-NRFANRHFSA-N 2 1 393.575 3.925 20 0 GHADMP COc1cccc(-c2cc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)on2)c1 ZINC000902452855 859103818 /nfs/dbraw/zinc/10/38/18/859103818.db2.gz MSEAGIAOQASRBQ-JTHBVZDNSA-N 2 1 391.471 3.696 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711182 859118809 /nfs/dbraw/zinc/11/88/09/859118809.db2.gz HUKDCWWDOWNRNU-TWOQFEAHSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711182 859118812 /nfs/dbraw/zinc/11/88/12/859118812.db2.gz HUKDCWWDOWNRNU-TWOQFEAHSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707578 859119037 /nfs/dbraw/zinc/11/90/37/859119037.db2.gz IIGDOBZWWHZCPT-HUUCEWRRSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707578 859119040 /nfs/dbraw/zinc/11/90/40/859119040.db2.gz IIGDOBZWWHZCPT-HUUCEWRRSA-N 2 1 383.458 3.887 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765064 859127084 /nfs/dbraw/zinc/12/70/84/859127084.db2.gz WBSQBXBQMFLAML-HZPDHXFCSA-N 2 1 393.959 3.838 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765064 859127092 /nfs/dbraw/zinc/12/70/92/859127092.db2.gz WBSQBXBQMFLAML-HZPDHXFCSA-N 2 1 393.959 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)C(F)(F)F)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024413 859168817 /nfs/dbraw/zinc/16/88/17/859168817.db2.gz GGMZHUTWKFZEEQ-NBMJBFSESA-N 2 1 397.485 3.571 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000483141291 859176524 /nfs/dbraw/zinc/17/65/24/859176524.db2.gz HADUALQHYNWRQU-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000466707276 859220873 /nfs/dbraw/zinc/22/08/73/859220873.db2.gz MCESXNCMVXLBCM-UHFFFAOYSA-N 2 1 392.931 3.713 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000191508098 859229823 /nfs/dbraw/zinc/22/98/23/859229823.db2.gz VVPWRHARVFOFEK-HNNXBMFYSA-N 2 1 392.931 3.847 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000191508098 859229835 /nfs/dbraw/zinc/22/98/35/859229835.db2.gz VVPWRHARVFOFEK-HNNXBMFYSA-N 2 1 392.931 3.847 20 0 GHADMP O[C@@H](C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000923347447 859237391 /nfs/dbraw/zinc/23/73/91/859237391.db2.gz QEEIEEYYTFUTBU-DLBZAZTESA-N 2 1 395.931 3.613 20 0 GHADMP O[C@@H](C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1Cl ZINC000923347447 859237402 /nfs/dbraw/zinc/23/74/02/859237402.db2.gz QEEIEEYYTFUTBU-DLBZAZTESA-N 2 1 395.931 3.613 20 0 GHADMP CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000429404568 859276743 /nfs/dbraw/zinc/27/67/43/859276743.db2.gz HPLIECNBIMDPGS-CCDWMCETSA-N 2 1 399.623 3.515 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000429404568 859276756 /nfs/dbraw/zinc/27/67/56/859276756.db2.gz HPLIECNBIMDPGS-CCDWMCETSA-N 2 1 399.623 3.515 20 0 GHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000429404568 859276768 /nfs/dbraw/zinc/27/67/68/859276768.db2.gz HPLIECNBIMDPGS-CCDWMCETSA-N 2 1 399.623 3.515 20 0 GHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000429404568 859276778 /nfs/dbraw/zinc/27/67/78/859276778.db2.gz HPLIECNBIMDPGS-CCDWMCETSA-N 2 1 399.623 3.515 20 0 GHADMP CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601478222 859288638 /nfs/dbraw/zinc/28/86/38/859288638.db2.gz XUFLVLMQMKGOGI-TUACAJSNSA-N 2 1 391.559 3.570 20 0 GHADMP CN(C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601478222 859288643 /nfs/dbraw/zinc/28/86/43/859288643.db2.gz XUFLVLMQMKGOGI-TUACAJSNSA-N 2 1 391.559 3.570 20 0 GHADMP Fc1cccc(OCc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000655779882 859368190 /nfs/dbraw/zinc/36/81/90/859368190.db2.gz TWKCDFKQDDIRQF-JOCHJYFZSA-N 2 1 384.495 3.748 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000466735219 859398266 /nfs/dbraw/zinc/39/82/66/859398266.db2.gz AKCFQDVAXTXQIM-UHFFFAOYSA-N 2 1 392.931 3.713 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429456822 859407702 /nfs/dbraw/zinc/40/77/02/859407702.db2.gz RHZTZVZCROFNND-IBURTVSXSA-N 2 1 382.523 3.792 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000626062778 859434532 /nfs/dbraw/zinc/43/45/32/859434532.db2.gz GIYXGTVDLCIYHA-QFIPXVFZSA-N 2 1 383.511 3.729 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000626062778 859434538 /nfs/dbraw/zinc/43/45/38/859434538.db2.gz GIYXGTVDLCIYHA-QFIPXVFZSA-N 2 1 383.511 3.729 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000626063239 859437757 /nfs/dbraw/zinc/43/77/57/859437757.db2.gz XBSDNVXRNXIHSO-GOSISDBHSA-N 2 1 383.536 3.914 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000114197044 859491718 /nfs/dbraw/zinc/49/17/18/859491718.db2.gz GRGXOUXSMZELFD-QGZVFWFLSA-N 2 1 397.571 3.702 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 ZINC000114197044 859491728 /nfs/dbraw/zinc/49/17/28/859491728.db2.gz GRGXOUXSMZELFD-QGZVFWFLSA-N 2 1 397.571 3.702 20 0 GHADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000764542638 859493130 /nfs/dbraw/zinc/49/31/30/859493130.db2.gz ZXNYLHCAHYQAPZ-OAQYLSRUSA-N 2 1 386.584 3.668 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@H]1C ZINC000483692353 859545544 /nfs/dbraw/zinc/54/55/44/859545544.db2.gz MEGQADZWFLVWNU-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP CC[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000483712135 859568680 /nfs/dbraw/zinc/56/86/80/859568680.db2.gz LYWGLDQBQMIVCI-QFIPXVFZSA-N 2 1 398.595 3.530 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC000483728050 859582974 /nfs/dbraw/zinc/58/29/74/859582974.db2.gz OQYVSBXAJGSYCM-YTQUADARSA-N 2 1 380.602 3.645 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559552 881438757 /nfs/dbraw/zinc/43/87/57/881438757.db2.gz PSOVVCAEGQXEQB-HXUWFJFHSA-N 2 1 395.507 3.558 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559552 881438763 /nfs/dbraw/zinc/43/87/63/881438763.db2.gz PSOVVCAEGQXEQB-HXUWFJFHSA-N 2 1 395.507 3.558 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)ccn1 ZINC000856559552 881438776 /nfs/dbraw/zinc/43/87/76/881438776.db2.gz PSOVVCAEGQXEQB-HXUWFJFHSA-N 2 1 395.507 3.558 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC000764776969 859607411 /nfs/dbraw/zinc/60/74/11/859607411.db2.gz ROFUFDJNSWBBBY-GIVPXCGWSA-N 2 1 375.557 3.647 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561319 881442544 /nfs/dbraw/zinc/44/25/44/881442544.db2.gz SXMGIJKRGKROLU-QHCPKHFHSA-N 2 1 393.531 3.851 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561319 881442549 /nfs/dbraw/zinc/44/25/49/881442549.db2.gz SXMGIJKRGKROLU-QHCPKHFHSA-N 2 1 393.531 3.851 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561319 881442551 /nfs/dbraw/zinc/44/25/51/881442551.db2.gz SXMGIJKRGKROLU-QHCPKHFHSA-N 2 1 393.531 3.851 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C2)CC1 ZINC000611269094 859674973 /nfs/dbraw/zinc/67/49/73/859674973.db2.gz PAXLQJJKRQRTSO-QHCPKHFHSA-N 2 1 397.538 3.617 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764925024 859683847 /nfs/dbraw/zinc/68/38/47/859683847.db2.gz AMEAFMSPFUGTEB-SQJMNOBHSA-N 2 1 395.591 3.906 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764969699 859714187 /nfs/dbraw/zinc/71/41/87/859714187.db2.gz AXBXZEUWAPXNDW-GBAAUQCPSA-N 2 1 387.612 3.624 20 0 GHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)c2C1 ZINC000474300881 859782427 /nfs/dbraw/zinc/78/24/27/859782427.db2.gz AFMYBMPPEYFAKK-UHFFFAOYSA-N 2 1 377.532 3.989 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000856561556 881468651 /nfs/dbraw/zinc/46/86/51/881468651.db2.gz PIXFOOBVSPUPHW-IBGZPJMESA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000856561556 881468652 /nfs/dbraw/zinc/46/86/52/881468652.db2.gz PIXFOOBVSPUPHW-IBGZPJMESA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000856561556 881468653 /nfs/dbraw/zinc/46/86/53/881468653.db2.gz PIXFOOBVSPUPHW-IBGZPJMESA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000856561556 881468660 /nfs/dbraw/zinc/46/86/60/881468660.db2.gz PIXFOOBVSPUPHW-IBGZPJMESA-N 2 1 375.463 3.853 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000484305859 859933724 /nfs/dbraw/zinc/93/37/24/859933724.db2.gz JCFFSRONYWQBNL-NEWSRXKRSA-N 2 1 396.597 3.650 20 0 GHADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC1CC[NH+](Cc3nc(C)c(C)o3)CC1)CC2 ZINC000280140128 860062536 /nfs/dbraw/zinc/06/25/36/860062536.db2.gz POVHZODVIOFMQZ-HXUWFJFHSA-N 2 1 399.535 3.798 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465593514 860075507 /nfs/dbraw/zinc/07/55/07/860075507.db2.gz FRMRHDLNGCARPW-QHCPKHFHSA-N 2 1 398.595 3.736 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1F ZINC000727467923 860105370 /nfs/dbraw/zinc/10/53/70/860105370.db2.gz CCKSWHUYFFCVDU-KRWDZBQOSA-N 2 1 388.487 3.809 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685417709 860123196 /nfs/dbraw/zinc/12/31/96/860123196.db2.gz MSCVCDIZJVEJLG-XMJIKXADSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685417709 860123198 /nfs/dbraw/zinc/12/31/98/860123198.db2.gz MSCVCDIZJVEJLG-XMJIKXADSA-N 2 1 381.486 3.821 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000537629516 881518469 /nfs/dbraw/zinc/51/84/69/881518469.db2.gz KVZHKQIMJDRBRS-UHFFFAOYSA-N 2 1 375.738 3.645 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000536044105 860267876 /nfs/dbraw/zinc/26/78/76/860267876.db2.gz VENFWEGDGFEGQW-XZOQPEGZSA-N 2 1 392.547 3.618 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000536044105 860267885 /nfs/dbraw/zinc/26/78/85/860267885.db2.gz VENFWEGDGFEGQW-XZOQPEGZSA-N 2 1 392.547 3.618 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@H]1c1cccs1 ZINC000536049439 860268944 /nfs/dbraw/zinc/26/89/44/860268944.db2.gz GZFNGLMFQVTTOR-SCWSEQNSSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@H]1c1cccs1 ZINC000536049439 860268950 /nfs/dbraw/zinc/26/89/50/860268950.db2.gz GZFNGLMFQVTTOR-SCWSEQNSSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000536049439 860268961 /nfs/dbraw/zinc/26/89/61/860268961.db2.gz GZFNGLMFQVTTOR-SCWSEQNSSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000536049439 860268974 /nfs/dbraw/zinc/26/89/74/860268974.db2.gz GZFNGLMFQVTTOR-SCWSEQNSSA-N 2 1 398.576 3.617 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000484717684 860285423 /nfs/dbraw/zinc/28/54/23/860285423.db2.gz YSANPOWYNJXFEK-WTNAPCKOSA-N 2 1 398.526 3.563 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3cscc3Br)cc2)CC1 ZINC000286284249 860388585 /nfs/dbraw/zinc/38/85/85/860388585.db2.gz BTZVZIJRYKKVQX-UHFFFAOYSA-N 2 1 395.366 3.757 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904515090 860486048 /nfs/dbraw/zinc/48/60/48/860486048.db2.gz IDXSSDSSHAXWAW-UNWVZKJWSA-N 2 1 390.531 3.712 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(OC)ccc3Cl)C2)ccn1 ZINC000856584318 881555398 /nfs/dbraw/zinc/55/53/98/881555398.db2.gz HQNJVNJVSNAREY-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(OC)ccc3Cl)C2)ccn1 ZINC000856584318 881555402 /nfs/dbraw/zinc/55/54/02/881555402.db2.gz HQNJVNJVSNAREY-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(OC)ccc3Cl)C2)ccn1 ZINC000856584318 881555408 /nfs/dbraw/zinc/55/54/08/881555408.db2.gz HQNJVNJVSNAREY-FQEVSTJZSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCCC3CCOCC3)C2)ccn1 ZINC000856584514 881555574 /nfs/dbraw/zinc/55/55/74/881555574.db2.gz LNYNSWUGIHKIRP-QFIPXVFZSA-N 2 1 375.557 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856584514 881555584 /nfs/dbraw/zinc/55/55/84/881555584.db2.gz LNYNSWUGIHKIRP-QFIPXVFZSA-N 2 1 375.557 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856584514 881555593 /nfs/dbraw/zinc/55/55/93/881555593.db2.gz LNYNSWUGIHKIRP-QFIPXVFZSA-N 2 1 375.557 3.583 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3c(C)cccc3C)C2)ccn1 ZINC000856591429 881562973 /nfs/dbraw/zinc/56/29/73/881562973.db2.gz BOKNIJZJZNZXCK-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3c(C)cccc3C)C2)ccn1 ZINC000856591429 881562981 /nfs/dbraw/zinc/56/29/81/881562981.db2.gz BOKNIJZJZNZXCK-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3c(C)cccc3C)C2)ccn1 ZINC000856591429 881562999 /nfs/dbraw/zinc/56/29/99/881562999.db2.gz BOKNIJZJZNZXCK-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474698608 860653436 /nfs/dbraw/zinc/65/34/36/860653436.db2.gz YPVBBRQXKLAMEE-NRFANRHFSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474698608 860653446 /nfs/dbraw/zinc/65/34/46/860653446.db2.gz YPVBBRQXKLAMEE-NRFANRHFSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474711647 860666636 /nfs/dbraw/zinc/66/66/36/860666636.db2.gz UGMZQZLBFGHQNS-HSZRJFAPSA-N 2 1 395.522 3.702 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474711647 860666641 /nfs/dbraw/zinc/66/66/41/860666641.db2.gz UGMZQZLBFGHQNS-HSZRJFAPSA-N 2 1 395.522 3.702 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599789 881575745 /nfs/dbraw/zinc/57/57/45/881575745.db2.gz SPGVYEFRZPDTHB-WTIAFYNJSA-N 2 1 389.584 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599789 881575759 /nfs/dbraw/zinc/57/57/59/881575759.db2.gz SPGVYEFRZPDTHB-WTIAFYNJSA-N 2 1 389.584 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599789 881575770 /nfs/dbraw/zinc/57/57/70/881575770.db2.gz SPGVYEFRZPDTHB-WTIAFYNJSA-N 2 1 389.584 3.970 20 0 GHADMP C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000557032450 881586413 /nfs/dbraw/zinc/58/64/13/881586413.db2.gz AEKARDBWHYCEEO-HTAPYJJXSA-N 2 1 378.520 3.507 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000557032453 881586669 /nfs/dbraw/zinc/58/66/69/881586669.db2.gz AEKARDBWHYCEEO-VGSWGCGISA-N 2 1 378.520 3.507 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192574180 860878829 /nfs/dbraw/zinc/87/88/29/860878829.db2.gz YGKYISRALLPVBY-MRXNPFEDSA-N 2 1 381.545 3.915 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)c3cccc([C@@H]4CCC[N@@H+](C)C4)c3)CC2)[nH+]c1C ZINC000899513302 860961764 /nfs/dbraw/zinc/96/17/64/860961764.db2.gz NOXPDNCCLQMOKG-OAQYLSRUSA-N 2 1 380.536 3.856 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)CC2)[nH+]c1C ZINC000899513302 860961774 /nfs/dbraw/zinc/96/17/74/860961774.db2.gz NOXPDNCCLQMOKG-OAQYLSRUSA-N 2 1 380.536 3.856 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1(C)C ZINC000623387540 860979411 /nfs/dbraw/zinc/97/94/11/860979411.db2.gz HWEVCQYTRBCALE-OALUTQOASA-N 2 1 399.501 3.541 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CC1(C)C ZINC000623449841 861079363 /nfs/dbraw/zinc/07/93/63/861079363.db2.gz MQOUZROAOCZZQV-IBGZPJMESA-N 2 1 394.401 3.876 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)CC1(C)C ZINC000623474221 861102100 /nfs/dbraw/zinc/10/21/00/861102100.db2.gz VMHBYYRJBYOBRB-CYBMUJFWSA-N 2 1 379.854 3.985 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1OC1CC1 ZINC000623507712 861125356 /nfs/dbraw/zinc/12/53/56/861125356.db2.gz WZAFJHWBDZEENR-QFIPXVFZSA-N 2 1 396.531 3.617 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000625202430 861140935 /nfs/dbraw/zinc/14/09/35/861140935.db2.gz ZXEVIYJIIKVZFZ-NJDAHSKKSA-N 2 1 397.588 3.516 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)C1 ZINC000182269080 863170483 /nfs/dbraw/zinc/17/04/83/863170483.db2.gz MRPJVZHCUBNISW-GHTZIAJQSA-N 2 1 386.923 3.910 20 0 GHADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(SC2CCCC2)cc1 ZINC000482463214 863171600 /nfs/dbraw/zinc/17/16/00/863171600.db2.gz YUQXPEBMORNBQM-KRWDZBQOSA-N 2 1 375.582 3.536 20 0 GHADMP Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(-c2cnn(C)c2)c1 ZINC000282619707 863251848 /nfs/dbraw/zinc/25/18/48/863251848.db2.gz JJEUOMRBTMLSPK-UHFFFAOYSA-N 2 1 390.535 3.561 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)C1CCCCC1 ZINC000182534440 863267613 /nfs/dbraw/zinc/26/76/13/863267613.db2.gz JODKQSKDGSSKKM-YADHBBJMSA-N 2 1 392.609 3.897 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000183148941 863487508 /nfs/dbraw/zinc/48/75/08/863487508.db2.gz XQKCVORTJACVDO-ZIAGYGMSSA-N 2 1 383.883 3.907 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)cc1 ZINC000183155633 863490607 /nfs/dbraw/zinc/49/06/07/863490607.db2.gz ZLXGRTFMVQLPGE-OXQOHEQNSA-N 2 1 390.487 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000499238078 881672730 /nfs/dbraw/zinc/67/27/30/881672730.db2.gz XIRYWDBAALJHJO-RTBURBONSA-N 2 1 380.536 3.875 20 0 GHADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444232552 863722148 /nfs/dbraw/zinc/72/21/48/863722148.db2.gz QWVSHKPHCKWEBL-IXTNQLDESA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444232552 863722155 /nfs/dbraw/zinc/72/21/55/863722155.db2.gz QWVSHKPHCKWEBL-IXTNQLDESA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444232552 863722163 /nfs/dbraw/zinc/72/21/63/863722163.db2.gz QWVSHKPHCKWEBL-IXTNQLDESA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000606635721 863727593 /nfs/dbraw/zinc/72/75/93/863727593.db2.gz UTJASUCOUJQVTI-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000606635721 863727600 /nfs/dbraw/zinc/72/76/00/863727600.db2.gz UTJASUCOUJQVTI-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000606635721 863727606 /nfs/dbraw/zinc/72/76/06/863727606.db2.gz UTJASUCOUJQVTI-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000606686110 863778609 /nfs/dbraw/zinc/77/86/09/863778609.db2.gz SOSNBCVBCCTBEZ-ILWGZMRPSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000606686110 863778614 /nfs/dbraw/zinc/77/86/14/863778614.db2.gz SOSNBCVBCCTBEZ-ILWGZMRPSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000606686110 863778617 /nfs/dbraw/zinc/77/86/17/863778617.db2.gz SOSNBCVBCCTBEZ-ILWGZMRPSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158581508 863880541 /nfs/dbraw/zinc/88/05/41/863880541.db2.gz XFANGCDJWXMKIY-BBWFWOEESA-N 2 1 384.561 3.638 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC000667611281 863966228 /nfs/dbraw/zinc/96/62/28/863966228.db2.gz IZFQOARHEPQCEU-WBVHZDCISA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC000667611281 863966242 /nfs/dbraw/zinc/96/62/42/863966242.db2.gz IZFQOARHEPQCEU-WBVHZDCISA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)sc2c1)C1CC1 ZINC000667611281 863966256 /nfs/dbraw/zinc/96/62/56/863966256.db2.gz IZFQOARHEPQCEU-WBVHZDCISA-N 2 1 399.564 3.639 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000480082712 864029835 /nfs/dbraw/zinc/02/98/35/864029835.db2.gz ISADRDQGZDHIGH-FGZHOGPDSA-N 2 1 379.633 3.902 20 0 GHADMP CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475091455 864138881 /nfs/dbraw/zinc/13/88/81/864138881.db2.gz BMUQHKXZEWEGQK-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000475101416 864175896 /nfs/dbraw/zinc/17/58/96/864175896.db2.gz NZFDGDSRHPLWQZ-LEWJYISDSA-N 2 1 398.551 3.578 20 0 GHADMP Cc1cccc(COc2c(C)cc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2C)c1 ZINC000734506460 864268087 /nfs/dbraw/zinc/26/80/87/864268087.db2.gz FWAIUODOWSHESH-QHCPKHFHSA-N 2 1 382.548 3.737 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000607339437 864313873 /nfs/dbraw/zinc/31/38/73/864313873.db2.gz AESHCCITUGZEKF-FQEVSTJZSA-N 2 1 389.927 3.912 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000621641365 864345686 /nfs/dbraw/zinc/34/56/86/864345686.db2.gz IATIUUDZKOAQPL-QGZVFWFLSA-N 2 1 397.485 3.520 20 0 GHADMP COc1cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000621771285 864416281 /nfs/dbraw/zinc/41/62/81/864416281.db2.gz AQLWZFFUNIXWBF-RXVVDRJESA-N 2 1 398.547 3.898 20 0 GHADMP CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159215810 864423160 /nfs/dbraw/zinc/42/31/60/864423160.db2.gz VWPAWTZZDFGFHK-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000607539427 864470162 /nfs/dbraw/zinc/47/01/62/864470162.db2.gz GDNGZZDVCAMRRG-OXQOHEQNSA-N 2 1 389.565 3.996 20 0 GHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000734849620 864475683 /nfs/dbraw/zinc/47/56/83/864475683.db2.gz CNWWAYYHTRBUDF-RXVVDRJESA-N 2 1 388.600 3.960 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(Oc3ccncn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058756 864475926 /nfs/dbraw/zinc/47/59/26/864475926.db2.gz RJBBDDNVSWFHBQ-CEQLMSFQSA-N 2 1 380.536 3.761 20 0 GHADMP FC(F)Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000475222581 864598437 /nfs/dbraw/zinc/59/84/37/864598437.db2.gz BLCBHOMVPWGYHW-INIZCTEOSA-N 2 1 390.430 3.628 20 0 GHADMP FC(F)Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000475222581 864598442 /nfs/dbraw/zinc/59/84/42/864598442.db2.gz BLCBHOMVPWGYHW-INIZCTEOSA-N 2 1 390.430 3.628 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[N@@H+](C)[C@H](C)C4)cc3)nc12 ZINC000608061359 864954662 /nfs/dbraw/zinc/95/46/62/864954662.db2.gz QLHYTVLXDGKTSV-UYAOXDASSA-N 2 1 378.520 3.794 20 0 GHADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000480603930 864959896 /nfs/dbraw/zinc/95/98/96/864959896.db2.gz FDLFLGTWZYFCRD-HXUWFJFHSA-N 2 1 379.548 3.850 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc2c(s1)CCCC2 ZINC000480605370 864963256 /nfs/dbraw/zinc/96/32/56/864963256.db2.gz CCLSCADWKIEPJN-KRWDZBQOSA-N 2 1 397.588 3.865 20 0 GHADMP CCc1ccc([C@H](CC)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480620971 864981141 /nfs/dbraw/zinc/98/11/41/864981141.db2.gz CTKCOXHWVGHOOV-QHCPKHFHSA-N 2 1 379.548 3.878 20 0 GHADMP CC[C@@H]1C[C@H](C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)CCO1 ZINC000554887101 865090271 /nfs/dbraw/zinc/09/02/71/865090271.db2.gz NLWOOXPKJLUCCP-TZIWHRDSSA-N 2 1 389.584 3.808 20 0 GHADMP CC[C@@H]1C[C@H](C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)CCO1 ZINC000554887101 865090276 /nfs/dbraw/zinc/09/02/76/865090276.db2.gz NLWOOXPKJLUCCP-TZIWHRDSSA-N 2 1 389.584 3.808 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000667736931 865184942 /nfs/dbraw/zinc/18/49/42/865184942.db2.gz YNMZAZGJCBAEAC-KSEOMHKRSA-N 2 1 378.520 3.568 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cc2ccccc2o1 ZINC000171387280 865235309 /nfs/dbraw/zinc/23/53/09/865235309.db2.gz MJDRXRNTYHSVDU-ROUUACIJSA-N 2 1 383.536 3.806 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cs2)cc1 ZINC000171385812 865235739 /nfs/dbraw/zinc/23/57/39/865235739.db2.gz AUOYDPDXFMRMTG-UHFFFAOYSA-N 2 1 399.560 3.905 20 0 GHADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)C1 ZINC000301386866 865328808 /nfs/dbraw/zinc/32/88/08/865328808.db2.gz CVXAOEWRZJGNCX-KRWDZBQOSA-N 2 1 380.517 3.606 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)C1 ZINC000301386866 865328822 /nfs/dbraw/zinc/32/88/22/865328822.db2.gz CVXAOEWRZJGNCX-KRWDZBQOSA-N 2 1 380.517 3.606 20 0 GHADMP CC[NH+](CC)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)Cc1ccccc1 ZINC000480813277 865330883 /nfs/dbraw/zinc/33/08/83/865330883.db2.gz TVUZZEOQEYRNRY-XMMPIXPASA-N 2 1 380.580 3.589 20 0 GHADMP Cc1nc(-c2ccncc2)nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000301438631 865361646 /nfs/dbraw/zinc/36/16/46/865361646.db2.gz ICSMOMDXHJCHKT-UHFFFAOYSA-N 2 1 394.567 3.518 20 0 GHADMP CC[N@H+](C)C[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000301454557 865372181 /nfs/dbraw/zinc/37/21/81/865372181.db2.gz RMLJWHUPRMXOAK-KRWDZBQOSA-N 2 1 387.597 3.682 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000301454557 865372197 /nfs/dbraw/zinc/37/21/97/865372197.db2.gz RMLJWHUPRMXOAK-KRWDZBQOSA-N 2 1 387.597 3.682 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168771075 865402813 /nfs/dbraw/zinc/40/28/13/865402813.db2.gz RRILWUJQBDAWDQ-GYXMONNMSA-N 2 1 388.552 3.889 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000189521910 881896100 /nfs/dbraw/zinc/89/61/00/881896100.db2.gz HVZPGLQQJMDVFS-DOTOQJQBSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000189521910 881896114 /nfs/dbraw/zinc/89/61/14/881896114.db2.gz HVZPGLQQJMDVFS-DOTOQJQBSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521910 881896135 /nfs/dbraw/zinc/89/61/35/881896135.db2.gz HVZPGLQQJMDVFS-DOTOQJQBSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC(F)(F)C(F)F)CC[NH+]1Cc1ccccc1 ZINC000189521910 881896146 /nfs/dbraw/zinc/89/61/46/881896146.db2.gz HVZPGLQQJMDVFS-DOTOQJQBSA-N 2 1 376.438 3.888 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000173181407 865771617 /nfs/dbraw/zinc/77/16/17/865771617.db2.gz JZYWVMHERIZUNG-NFBKMPQASA-N 2 1 379.548 3.630 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000173181407 865771624 /nfs/dbraw/zinc/77/16/24/865771624.db2.gz JZYWVMHERIZUNG-NFBKMPQASA-N 2 1 379.548 3.630 20 0 GHADMP Cn1nc(C2CC2)nc1C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639727471 865872779 /nfs/dbraw/zinc/87/27/79/865872779.db2.gz SXOMQDOOCKYTSN-UHFFFAOYSA-N 2 1 379.552 3.571 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000481174337 865961960 /nfs/dbraw/zinc/96/19/60/865961960.db2.gz IRZAGLHEDRCECI-REWPJTCUSA-N 2 1 391.559 3.682 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000481174337 865961972 /nfs/dbraw/zinc/96/19/72/865961972.db2.gz IRZAGLHEDRCECI-REWPJTCUSA-N 2 1 391.559 3.682 20 0 GHADMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209494 866013110 /nfs/dbraw/zinc/01/31/10/866013110.db2.gz ZCGSDQSEWWOBCD-LVCYWYKZSA-N 2 1 397.588 3.522 20 0 GHADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209494 866013127 /nfs/dbraw/zinc/01/31/27/866013127.db2.gz ZCGSDQSEWWOBCD-LVCYWYKZSA-N 2 1 397.588 3.522 20 0 GHADMP CC(C)C[C@]1(C)CC(=O)N(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000740853944 866041376 /nfs/dbraw/zinc/04/13/76/866041376.db2.gz IYUOXNOQYKWJCC-XMMPIXPASA-N 2 1 399.579 3.599 20 0 GHADMP CC(C)C[C@]1(C)CC(=O)N(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000740853944 866041396 /nfs/dbraw/zinc/04/13/96/866041396.db2.gz IYUOXNOQYKWJCC-XMMPIXPASA-N 2 1 399.579 3.599 20 0 GHADMP CC1(C)CCc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)ccc2O1 ZINC000740899060 866087879 /nfs/dbraw/zinc/08/78/79/866087879.db2.gz OVBTXFOACNCNSW-DHIUTWEWSA-N 2 1 394.559 3.763 20 0 GHADMP CC1(C)CCc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)ccc2O1 ZINC000740899060 866087894 /nfs/dbraw/zinc/08/78/94/866087894.db2.gz OVBTXFOACNCNSW-DHIUTWEWSA-N 2 1 394.559 3.763 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)ccc21 ZINC000456264046 866325825 /nfs/dbraw/zinc/32/58/25/866325825.db2.gz HDSAMQMHLLPEEO-VXKWHMMOSA-N 2 1 381.495 3.978 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)ccc21 ZINC000456264046 866325841 /nfs/dbraw/zinc/32/58/41/866325841.db2.gz HDSAMQMHLLPEEO-VXKWHMMOSA-N 2 1 381.495 3.978 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000620192311 866530768 /nfs/dbraw/zinc/53/07/68/866530768.db2.gz JUDIVKDXGSTYTR-GOTSBHOMSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000620192311 866530780 /nfs/dbraw/zinc/53/07/80/866530780.db2.gz JUDIVKDXGSTYTR-GOTSBHOMSA-N 2 1 391.559 3.708 20 0 GHADMP CC[C@@H](C)[C@H]([NH2+]CCn1cc[nH+]c1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000552969697 866542157 /nfs/dbraw/zinc/54/21/57/866542157.db2.gz VIGWJLOJTPTAGY-XXBNENTESA-N 2 1 396.579 3.677 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(OC)c1OC ZINC000631615927 866578575 /nfs/dbraw/zinc/57/85/75/866578575.db2.gz FEJCHYJGHRCPJN-IRLDBZIGSA-N 2 1 398.547 3.901 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000121268749 882015892 /nfs/dbraw/zinc/01/58/92/882015892.db2.gz NFVYBSVQDAJCHF-VGSWGCGISA-N 2 1 391.519 3.844 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000523203072 866853938 /nfs/dbraw/zinc/85/39/38/866853938.db2.gz JMLJDXHEUQHCPU-SFHLNBCPSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000523203072 866853956 /nfs/dbraw/zinc/85/39/56/866853956.db2.gz JMLJDXHEUQHCPU-SFHLNBCPSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000523203072 866853978 /nfs/dbraw/zinc/85/39/78/866853978.db2.gz JMLJDXHEUQHCPU-SFHLNBCPSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000153550078 866942427 /nfs/dbraw/zinc/94/24/27/866942427.db2.gz PMQKRSUWYDKNOP-NRFANRHFSA-N 2 1 392.632 3.796 20 0 GHADMP Cc1oc2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)nc(N)c2c1C ZINC000153729416 867047995 /nfs/dbraw/zinc/04/79/95/867047995.db2.gz DSZZAZPIRIMJQX-UHFFFAOYSA-N 2 1 393.535 3.766 20 0 GHADMP Cc1oc2nc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)nc(N)c2c1C ZINC000153729416 867048006 /nfs/dbraw/zinc/04/80/06/867048006.db2.gz DSZZAZPIRIMJQX-UHFFFAOYSA-N 2 1 393.535 3.766 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000523329532 867086076 /nfs/dbraw/zinc/08/60/76/867086076.db2.gz YTFSOEROVQZBGB-RTBURBONSA-N 2 1 379.976 3.599 20 0 GHADMP CN(C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000857153240 882060904 /nfs/dbraw/zinc/06/09/04/882060904.db2.gz UTNCMRWHDHQOTN-RPWUZVMVSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000857153240 882060915 /nfs/dbraw/zinc/06/09/15/882060915.db2.gz UTNCMRWHDHQOTN-RPWUZVMVSA-N 2 1 391.559 3.842 20 0 GHADMP CN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000857153240 882060934 /nfs/dbraw/zinc/06/09/34/882060934.db2.gz UTNCMRWHDHQOTN-RPWUZVMVSA-N 2 1 391.559 3.842 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000534710448 867299543 /nfs/dbraw/zinc/29/95/43/867299543.db2.gz VZPBZYPBGKZLDK-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000534710448 867299556 /nfs/dbraw/zinc/29/95/56/867299556.db2.gz VZPBZYPBGKZLDK-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000523469697 867354670 /nfs/dbraw/zinc/35/46/70/867354670.db2.gz DGTWBBJEAOSDNY-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000523469697 867354683 /nfs/dbraw/zinc/35/46/83/867354683.db2.gz DGTWBBJEAOSDNY-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000523469697 867354701 /nfs/dbraw/zinc/35/47/01/867354701.db2.gz DGTWBBJEAOSDNY-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccco1 ZINC000523520249 867481848 /nfs/dbraw/zinc/48/18/48/867481848.db2.gz MUKVNRSPOLHSAL-NRFANRHFSA-N 2 1 398.551 3.758 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C[C@H]1C ZINC000534833620 867565559 /nfs/dbraw/zinc/56/55/59/867565559.db2.gz PWLDYUHEXLZPSU-XWPNQZOQSA-N 2 1 392.975 3.599 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)C[C@H]1C ZINC000534833620 867565575 /nfs/dbraw/zinc/56/55/75/867565575.db2.gz PWLDYUHEXLZPSU-XWPNQZOQSA-N 2 1 392.975 3.599 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C[C@H]1C ZINC000534833620 867565588 /nfs/dbraw/zinc/56/55/88/867565588.db2.gz PWLDYUHEXLZPSU-XWPNQZOQSA-N 2 1 392.975 3.599 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C[C@H]1C ZINC000534833620 867565602 /nfs/dbraw/zinc/56/56/02/867565602.db2.gz PWLDYUHEXLZPSU-XWPNQZOQSA-N 2 1 392.975 3.599 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000523580463 867576221 /nfs/dbraw/zinc/57/62/21/867576221.db2.gz OOCMALDLPCNVTG-MOPGFXCFSA-N 2 1 379.548 3.679 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000523580463 867576229 /nfs/dbraw/zinc/57/62/29/867576229.db2.gz OOCMALDLPCNVTG-MOPGFXCFSA-N 2 1 379.548 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000620825418 867635497 /nfs/dbraw/zinc/63/54/97/867635497.db2.gz HRLOQXHIOYDNSQ-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP CN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457079402 867666432 /nfs/dbraw/zinc/66/64/32/867666432.db2.gz FFDLVJZAVGFCGZ-IBGZPJMESA-N 2 1 397.485 3.526 20 0 GHADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479454823 867787446 /nfs/dbraw/zinc/78/74/46/867787446.db2.gz MKTVULCYOGYJNY-CABCVRRESA-N 2 1 395.263 3.575 20 0 GHADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479454823 867787455 /nfs/dbraw/zinc/78/74/55/867787455.db2.gz MKTVULCYOGYJNY-CABCVRRESA-N 2 1 395.263 3.575 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534960920 867796547 /nfs/dbraw/zinc/79/65/47/867796547.db2.gz APPYVTUJVUOTOB-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534960920 867796559 /nfs/dbraw/zinc/79/65/59/867796559.db2.gz APPYVTUJVUOTOB-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534960920 867796573 /nfs/dbraw/zinc/79/65/73/867796573.db2.gz APPYVTUJVUOTOB-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479465753 867811313 /nfs/dbraw/zinc/81/13/13/867811313.db2.gz PLQSTKSFEBJEOD-UMXIMWEHSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479513903 867935846 /nfs/dbraw/zinc/93/58/46/867935846.db2.gz NVXWWLSZMKRYHS-LZQXYRQZSA-N 2 1 389.543 3.703 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479513903 867935851 /nfs/dbraw/zinc/93/58/51/867935851.db2.gz NVXWWLSZMKRYHS-LZQXYRQZSA-N 2 1 389.543 3.703 20 0 GHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)C1 ZINC000479710061 868391076 /nfs/dbraw/zinc/39/10/76/868391076.db2.gz BTCPKTVPNZEYBF-RBBKRZOGSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000479710061 868391096 /nfs/dbraw/zinc/39/10/96/868391096.db2.gz BTCPKTVPNZEYBF-RBBKRZOGSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000479710061 868391115 /nfs/dbraw/zinc/39/11/15/868391115.db2.gz BTCPKTVPNZEYBF-RBBKRZOGSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000156894403 868494700 /nfs/dbraw/zinc/49/47/00/868494700.db2.gz USQFYCWXDWXNEA-JXFKEZNVSA-N 2 1 385.577 3.913 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457634990 868553220 /nfs/dbraw/zinc/55/32/20/868553220.db2.gz AKPZBEXAJXXLQC-LJQANCHMSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000157432937 868653805 /nfs/dbraw/zinc/65/38/05/868653805.db2.gz QRJAYLOIVZZBMY-JTHBVZDNSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000457709641 868667736 /nfs/dbraw/zinc/66/77/36/868667736.db2.gz NVADKCTUCXNBPD-NRFANRHFSA-N 2 1 384.524 3.610 20 0 GHADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000457709641 868667741 /nfs/dbraw/zinc/66/77/41/868667741.db2.gz NVADKCTUCXNBPD-NRFANRHFSA-N 2 1 384.524 3.610 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000157574672 868690969 /nfs/dbraw/zinc/69/09/69/868690969.db2.gz DCYHVANPEKLNFX-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000157878535 868789395 /nfs/dbraw/zinc/78/93/95/868789395.db2.gz WTPGNGUPIBKPSK-ZWKOTPCHSA-N 2 1 381.586 3.753 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)CC2)cc1 ZINC000445883114 869082390 /nfs/dbraw/zinc/08/23/90/869082390.db2.gz CFQFBRXGRFEGEB-LJQANCHMSA-N 2 1 399.501 3.596 20 0 GHADMP CCCOc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000428430561 869346863 /nfs/dbraw/zinc/34/68/63/869346863.db2.gz IESBZIOSQUNPPE-XMMPIXPASA-N 2 1 398.547 3.553 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000153103981 869485441 /nfs/dbraw/zinc/48/54/41/869485441.db2.gz SOZRVXCCMDOWJI-UHFFFAOYSA-N 2 1 394.563 3.633 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000153103981 869485445 /nfs/dbraw/zinc/48/54/45/869485445.db2.gz SOZRVXCCMDOWJI-UHFFFAOYSA-N 2 1 394.563 3.633 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121942005 882326872 /nfs/dbraw/zinc/32/68/72/882326872.db2.gz CGZXOTXPRUHKRS-KRWDZBQOSA-N 2 1 383.540 3.663 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000745785066 869808891 /nfs/dbraw/zinc/80/88/91/869808891.db2.gz HAYFYXVHYQUIGT-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H](CCc1ccsc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000462794538 870097683 /nfs/dbraw/zinc/09/76/83/870097683.db2.gz WJAURGCUJLKSKF-UWJYYQICSA-N 2 1 385.577 3.556 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](Cc4ccccc4Cl)CC3)c2)C1 ZINC000462853251 870207826 /nfs/dbraw/zinc/20/78/26/870207826.db2.gz HKGAFECUROUBDK-QFIPXVFZSA-N 2 1 399.966 3.983 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000462871391 870227499 /nfs/dbraw/zinc/22/74/99/870227499.db2.gz PAOOZSYAWBPZMB-YGOYIFOWSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)C[NH+](Cc2ccccc2)C1 ZINC000462871391 870227507 /nfs/dbraw/zinc/22/75/07/870227507.db2.gz PAOOZSYAWBPZMB-YGOYIFOWSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)C[NH+](Cc2ccccc2)C1 ZINC000462871391 870227517 /nfs/dbraw/zinc/22/75/17/870227517.db2.gz PAOOZSYAWBPZMB-YGOYIFOWSA-N 2 1 379.548 3.576 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2)C1 ZINC000462878077 870278533 /nfs/dbraw/zinc/27/85/33/870278533.db2.gz QJGUPUVCVWRLNR-QHCPKHFHSA-N 2 1 399.966 3.983 20 0 GHADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043231 870291165 /nfs/dbraw/zinc/29/11/65/870291165.db2.gz SBRWQNRADNEVIJ-KNKQGSTJSA-N 2 1 386.584 3.703 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000540044677 870294634 /nfs/dbraw/zinc/29/46/34/870294634.db2.gz YMPDAXDWZXBHGM-UHFFFAOYSA-N 2 1 380.536 3.875 20 0 GHADMP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000173948519 882397748 /nfs/dbraw/zinc/39/77/48/882397748.db2.gz VGQPWQLXYQBDJD-SFHVURJKSA-N 2 1 384.524 3.683 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391097 870359605 /nfs/dbraw/zinc/35/96/05/870359605.db2.gz CAIWGCMRTWAYDH-LQBOVUBWSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248391097 870359698 /nfs/dbraw/zinc/35/96/98/870359698.db2.gz CAIWGCMRTWAYDH-LQBOVUBWSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248391097 870359807 /nfs/dbraw/zinc/35/98/07/870359807.db2.gz CAIWGCMRTWAYDH-LQBOVUBWSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248391097 870359821 /nfs/dbraw/zinc/35/98/21/870359821.db2.gz CAIWGCMRTWAYDH-LQBOVUBWSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391097 870359843 /nfs/dbraw/zinc/35/98/43/870359843.db2.gz CAIWGCMRTWAYDH-LQBOVUBWSA-N 2 1 387.543 3.559 20 0 GHADMP Cc1ccc(N(C)[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001192490925 870429312 /nfs/dbraw/zinc/42/93/12/870429312.db2.gz VUDWKGYXBVLOCT-VWLOTQADSA-N 2 1 393.575 3.928 20 0 GHADMP Cc1ccc(N(C)[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001192490925 870429319 /nfs/dbraw/zinc/42/93/19/870429319.db2.gz VUDWKGYXBVLOCT-VWLOTQADSA-N 2 1 393.575 3.928 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248544399 870482083 /nfs/dbraw/zinc/48/20/83/870482083.db2.gz CWQSUQNZZONUEZ-BNDYYXHWSA-N 2 1 383.580 3.985 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248544399 870482088 /nfs/dbraw/zinc/48/20/88/870482088.db2.gz CWQSUQNZZONUEZ-BNDYYXHWSA-N 2 1 383.580 3.985 20 0 GHADMP CCCC[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000248561891 870493098 /nfs/dbraw/zinc/49/30/98/870493098.db2.gz JQKAARJTTZUKQR-LNLFQRSKSA-N 2 1 376.545 3.723 20 0 GHADMP CCCC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000248561891 870493110 /nfs/dbraw/zinc/49/31/10/870493110.db2.gz JQKAARJTTZUKQR-LNLFQRSKSA-N 2 1 376.545 3.723 20 0 GHADMP CCCC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000248561891 870493117 /nfs/dbraw/zinc/49/31/17/870493117.db2.gz JQKAARJTTZUKQR-LNLFQRSKSA-N 2 1 376.545 3.723 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248584193 870515711 /nfs/dbraw/zinc/51/57/11/870515711.db2.gz PKFDDLXYMQSQLS-MDOVXXIYSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248584193 870515719 /nfs/dbraw/zinc/51/57/19/870515719.db2.gz PKFDDLXYMQSQLS-MDOVXXIYSA-N 2 1 393.934 3.827 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000538723923 870519595 /nfs/dbraw/zinc/51/95/95/870519595.db2.gz GWJJZERGUBFVDD-XMSQKQJNSA-N 2 1 385.527 3.852 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000538723923 870519599 /nfs/dbraw/zinc/51/95/99/870519599.db2.gz GWJJZERGUBFVDD-XMSQKQJNSA-N 2 1 385.527 3.852 20 0 GHADMP CCn1c2ccccc2nc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538724984 870521922 /nfs/dbraw/zinc/52/19/22/870521922.db2.gz MJTOKWCTXKQEBL-UHFFFAOYSA-N 3 1 397.611 3.684 20 0 GHADMP CCn1c2ccccc2nc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538724984 870521942 /nfs/dbraw/zinc/52/19/42/870521942.db2.gz MJTOKWCTXKQEBL-UHFFFAOYSA-N 3 1 397.611 3.684 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000540143368 870595841 /nfs/dbraw/zinc/59/58/41/870595841.db2.gz FOLZSTGQTPPJIN-SCZRWQTQSA-N 3 1 379.633 3.756 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000540143368 870595849 /nfs/dbraw/zinc/59/58/49/870595849.db2.gz FOLZSTGQTPPJIN-SCZRWQTQSA-N 2 1 379.633 3.756 20 0 GHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000446881584 870625204 /nfs/dbraw/zinc/62/52/04/870625204.db2.gz SPFJEJXHSVASOA-BJKOFHAPSA-N 2 1 382.548 3.584 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001168789007 870736729 /nfs/dbraw/zinc/73/67/29/870736729.db2.gz HGKKKZONGBEHJH-RKLZYTQMSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001168789007 870736736 /nfs/dbraw/zinc/73/67/36/870736736.db2.gz HGKKKZONGBEHJH-RKLZYTQMSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001168789007 870736748 /nfs/dbraw/zinc/73/67/48/870736748.db2.gz HGKKKZONGBEHJH-RKLZYTQMSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001168789007 870736760 /nfs/dbraw/zinc/73/67/60/870736760.db2.gz HGKKKZONGBEHJH-RKLZYTQMSA-N 2 1 399.579 3.736 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2C)CC1 ZINC000122211995 882442958 /nfs/dbraw/zinc/44/29/58/882442958.db2.gz VKWLDVQAMGDMPL-FQEVSTJZSA-N 2 1 389.584 3.701 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000122215878 882445534 /nfs/dbraw/zinc/44/55/34/882445534.db2.gz JBVAHMRTOCKOHH-FQEVSTJZSA-N 2 1 389.584 3.701 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cnn(-c4ccccc4)c3)CC2)nc(C)[nH+]1 ZINC000766493284 870818245 /nfs/dbraw/zinc/81/82/45/870818245.db2.gz HHFIBEJHOWXMLZ-KRWDZBQOSA-N 2 1 376.508 3.599 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000249402317 870823244 /nfs/dbraw/zinc/82/32/44/870823244.db2.gz CJGSNHRKWCYREQ-SCTDSRPQSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000249402317 870823254 /nfs/dbraw/zinc/82/32/54/870823254.db2.gz CJGSNHRKWCYREQ-SCTDSRPQSA-N 2 1 395.975 3.702 20 0 GHADMP C[C@@H](NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000538943549 870948572 /nfs/dbraw/zinc/94/85/72/870948572.db2.gz HSIIVLGQKCHFBX-GOSISDBHSA-N 2 1 398.526 3.636 20 0 GHADMP C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538944364 870949876 /nfs/dbraw/zinc/94/98/76/870949876.db2.gz PBVOSVGYHNZTON-LJQANCHMSA-N 2 1 386.584 3.705 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1nc3ccc(C[N@@H+](C)C4CC4)cc3s1)CC2 ZINC000617865487 870974323 /nfs/dbraw/zinc/97/43/23/870974323.db2.gz HZAMUVRMHPVJEI-HNNXBMFYSA-N 2 1 395.532 3.597 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1nc3ccc(C[N@H+](C)C4CC4)cc3s1)CC2 ZINC000617865487 870974327 /nfs/dbraw/zinc/97/43/27/870974327.db2.gz HZAMUVRMHPVJEI-HNNXBMFYSA-N 2 1 395.532 3.597 20 0 GHADMP C[N@@H+](CCCNC1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000463138466 870988161 /nfs/dbraw/zinc/98/81/61/870988161.db2.gz XQAARHSTHCPUJX-UHFFFAOYSA-N 2 1 383.555 3.944 20 0 GHADMP [NH3+]C1CCN(c2nc(NCc3ccccc3OCc3ccccc3)cc[nH+]2)CC1 ZINC001168939382 871025377 /nfs/dbraw/zinc/02/53/77/871025377.db2.gz LVPRFSLPYISRTI-UHFFFAOYSA-N 2 1 389.503 3.595 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001193354941 871041249 /nfs/dbraw/zinc/04/12/49/871041249.db2.gz KIKXZTNEAUUQNH-GOSISDBHSA-N 2 1 383.458 3.780 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001193354941 871041262 /nfs/dbraw/zinc/04/12/62/871041262.db2.gz KIKXZTNEAUUQNH-GOSISDBHSA-N 2 1 383.458 3.780 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000463188104 871128260 /nfs/dbraw/zinc/12/82/60/871128260.db2.gz FNMINSZJXZUCIX-OAQYLSRUSA-N 2 1 384.495 3.652 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000463200596 871169216 /nfs/dbraw/zinc/16/92/16/871169216.db2.gz BZHPWZHVLDUNAS-MOUTVQLLSA-N 2 1 386.580 3.683 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463240050 871238618 /nfs/dbraw/zinc/23/86/18/871238618.db2.gz HWSZWXOQVAJZSX-QMMLZNLJSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000463240050 871238627 /nfs/dbraw/zinc/23/86/27/871238627.db2.gz HWSZWXOQVAJZSX-QMMLZNLJSA-N 2 1 388.502 3.759 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3cccc(Br)c3)CCOCC1)C2 ZINC001169115586 871248419 /nfs/dbraw/zinc/24/84/19/871248419.db2.gz LDTSRSULRBGKAH-LDLYASANSA-N 2 1 393.369 3.756 20 0 GHADMP COC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000539073516 871261440 /nfs/dbraw/zinc/26/14/40/871261440.db2.gz MGQARQFHMSNTFG-JTDSTZFVSA-N 2 1 388.474 3.872 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154741 871268241 /nfs/dbraw/zinc/26/82/41/871268241.db2.gz TYIWAUUNITYRGS-IJXRJRJASA-N 2 1 377.573 3.723 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154741 871268259 /nfs/dbraw/zinc/26/82/59/871268259.db2.gz TYIWAUUNITYRGS-IJXRJRJASA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154741 871268277 /nfs/dbraw/zinc/26/82/77/871268277.db2.gz TYIWAUUNITYRGS-IJXRJRJASA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1)C2 ZINC001169154741 871268294 /nfs/dbraw/zinc/26/82/94/871268294.db2.gz TYIWAUUNITYRGS-IJXRJRJASA-N 2 1 377.573 3.723 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169155161 871269262 /nfs/dbraw/zinc/26/92/62/871269262.db2.gz YWMXBONMKVKTHM-REPLKXPHSA-N 2 1 395.469 3.525 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463279625 871317533 /nfs/dbraw/zinc/31/75/33/871317533.db2.gz KEPNZFRKVLDUMG-PXNSSMCTSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463279625 871317555 /nfs/dbraw/zinc/31/75/55/871317555.db2.gz KEPNZFRKVLDUMG-PXNSSMCTSA-N 2 1 383.502 3.903 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000463281079 871322518 /nfs/dbraw/zinc/32/25/18/871322518.db2.gz JRQMXXDGWIGOHG-IEMWQLIPSA-N 2 1 383.580 3.855 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169250548 871347097 /nfs/dbraw/zinc/34/70/97/871347097.db2.gz QBDOJLARQSVBAN-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169250548 871347118 /nfs/dbraw/zinc/34/71/18/871347118.db2.gz QBDOJLARQSVBAN-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP c1ccc(CC[NH+]2CCC(Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000236696419 882507207 /nfs/dbraw/zinc/50/72/07/882507207.db2.gz PQGUGKCEZBPTPD-UHFFFAOYSA-N 2 1 379.548 3.638 20 0 GHADMP CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001194116548 871486431 /nfs/dbraw/zinc/48/64/31/871486431.db2.gz RXPHUFUNLYMXHS-DNQXCXABSA-N 2 1 393.575 3.848 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001169467278 871543320 /nfs/dbraw/zinc/54/33/20/871543320.db2.gz MBPMQOXQRPHCTB-QUCCMNQESA-N 2 1 375.557 3.603 20 0 GHADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000462112792 871635892 /nfs/dbraw/zinc/63/58/92/871635892.db2.gz TUSGFQYFNAIOEL-NRFANRHFSA-N 2 1 392.559 3.787 20 0 GHADMP CC(=O)N1CCC[C@@H]([NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001169610357 871703744 /nfs/dbraw/zinc/70/37/44/871703744.db2.gz OAILMDOJTOAVFO-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169747144 871819333 /nfs/dbraw/zinc/81/93/33/871819333.db2.gz VJIYYDXRHJSQSV-NRFANRHFSA-N 2 1 397.950 3.895 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000552046818 871930028 /nfs/dbraw/zinc/93/00/28/871930028.db2.gz SXWWWCAYHZTSEX-LZBANZJXSA-N 2 1 386.511 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(C)c(F)c2)cc1 ZINC000133914076 882570962 /nfs/dbraw/zinc/57/09/62/882570962.db2.gz BMSGIEMBXOSUJF-MRXNPFEDSA-N 2 1 380.467 3.709 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001194964911 872058090 /nfs/dbraw/zinc/05/80/90/872058090.db2.gz RDWWDINWZZBNHZ-LZJOCLMNSA-N 2 1 385.939 3.770 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C1CC[NH+](CC2CC2)CC1 ZINC001168360362 872169344 /nfs/dbraw/zinc/16/93/44/872169344.db2.gz PGHZWKOWTVDRNY-WEYGHZABSA-N 2 1 396.616 3.954 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(Oc3ccncc3C)CC2)c1 ZINC000447766359 872250876 /nfs/dbraw/zinc/25/08/76/872250876.db2.gz SEFJGSCLOJEAJI-UHFFFAOYSA-N 2 1 396.535 3.595 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000447766359 872250890 /nfs/dbraw/zinc/25/08/90/872250890.db2.gz SEFJGSCLOJEAJI-UHFFFAOYSA-N 2 1 396.535 3.595 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000447766359 872250901 /nfs/dbraw/zinc/25/09/01/872250901.db2.gz SEFJGSCLOJEAJI-UHFFFAOYSA-N 2 1 396.535 3.595 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC(C[NH+]4CCCCCC4)CC3)CC2)[nH+]c1 ZINC000619019312 872254671 /nfs/dbraw/zinc/25/46/71/872254671.db2.gz ZZRYAXXYMUPMQM-UHFFFAOYSA-N 2 1 398.595 3.721 20 0 GHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2nncn2-c2ccccc2)ccc1OC ZINC000182378615 872274280 /nfs/dbraw/zinc/27/42/80/872274280.db2.gz SZYUGMDICCKCDX-GOSISDBHSA-N 2 1 393.535 3.969 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@H](C)C1 ZINC000093639407 872310197 /nfs/dbraw/zinc/31/01/97/872310197.db2.gz FFUHDBSXIGSMIS-WIYYLYMNSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@H](C)C1 ZINC000093639407 872310210 /nfs/dbraw/zinc/31/02/10/872310210.db2.gz FFUHDBSXIGSMIS-WIYYLYMNSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@H](C)C1 ZINC000093639407 872310223 /nfs/dbraw/zinc/31/02/23/872310223.db2.gz FFUHDBSXIGSMIS-WIYYLYMNSA-N 2 1 383.536 3.831 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccccc3N(C)C)cc2)CC1 ZINC000093942558 872490140 /nfs/dbraw/zinc/49/01/40/872490140.db2.gz MZSHKVOLHPCVOL-FQEVSTJZSA-N 2 1 380.580 3.741 20 0 GHADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000540973777 872625851 /nfs/dbraw/zinc/62/58/51/872625851.db2.gz DJSVAUZRGUKVFQ-WWNPGLIZSA-N 2 1 381.564 3.530 20 0 GHADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000540982871 872668479 /nfs/dbraw/zinc/66/84/79/872668479.db2.gz MJTHGSCIORUQPD-IRLDBZIGSA-N 2 1 389.971 3.999 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000552516491 872756470 /nfs/dbraw/zinc/75/64/70/872756470.db2.gz VLCUFYKKOABLKW-HSZRJFAPSA-N 2 1 391.559 3.804 20 0 GHADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(C)(C)C ZINC000463900142 872820404 /nfs/dbraw/zinc/82/04/04/872820404.db2.gz ZWZMEWKUGIKOCN-MSOLQXFVSA-N 2 1 397.510 3.739 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCCC2)CC1 ZINC001196040423 872850513 /nfs/dbraw/zinc/85/05/13/872850513.db2.gz WIDQSMPUJFGDHM-UNMCSNQZSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCC2)CC1 ZINC001196040423 872850521 /nfs/dbraw/zinc/85/05/21/872850521.db2.gz WIDQSMPUJFGDHM-UNMCSNQZSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCC2)CC1 ZINC001196040423 872850530 /nfs/dbraw/zinc/85/05/30/872850530.db2.gz WIDQSMPUJFGDHM-UNMCSNQZSA-N 2 1 383.580 3.812 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)CC1 ZINC000061016563 882676567 /nfs/dbraw/zinc/67/65/67/882676567.db2.gz UBUISMJBUDNLLJ-UHFFFAOYSA-N 2 1 387.524 3.843 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000448213438 873060262 /nfs/dbraw/zinc/06/02/62/873060262.db2.gz MHRDCUKIKUPTNK-SBHAEUEKSA-N 2 1 390.616 3.545 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000448213438 873060282 /nfs/dbraw/zinc/06/02/82/873060282.db2.gz MHRDCUKIKUPTNK-SBHAEUEKSA-N 2 1 390.616 3.545 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000448213438 873060298 /nfs/dbraw/zinc/06/02/98/873060298.db2.gz MHRDCUKIKUPTNK-SBHAEUEKSA-N 2 1 390.616 3.545 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000768222170 873175008 /nfs/dbraw/zinc/17/50/08/873175008.db2.gz XGEXLQSFKXRGQB-OALUTQOASA-N 2 1 381.605 3.980 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858011547 882715732 /nfs/dbraw/zinc/71/57/32/882715732.db2.gz WBXIKMSFBCCKAZ-HSZRJFAPSA-N 2 1 395.547 3.943 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527758733 873531813 /nfs/dbraw/zinc/53/18/13/873531813.db2.gz PKMRMBWMYGQNAE-AVRDEDQJSA-N 2 1 384.568 3.528 20 0 GHADMP CN(c1ccccc1CNC[C@H]1CC[N@@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000527752551 873558950 /nfs/dbraw/zinc/55/89/50/873558950.db2.gz OIIUGEKEOZDSIV-HSZRJFAPSA-N 2 1 384.612 3.714 20 0 GHADMP CN(c1ccccc1CNC[C@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000527752551 873558956 /nfs/dbraw/zinc/55/89/56/873558956.db2.gz OIIUGEKEOZDSIV-HSZRJFAPSA-N 2 1 384.612 3.714 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1C ZINC000541433592 873571563 /nfs/dbraw/zinc/57/15/63/873571563.db2.gz HGDXHJVELKHYCS-HOJAQTOUSA-N 2 1 386.584 3.824 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1C ZINC000541433592 873571567 /nfs/dbraw/zinc/57/15/67/873571567.db2.gz HGDXHJVELKHYCS-HOJAQTOUSA-N 2 1 386.584 3.824 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000527933539 873808727 /nfs/dbraw/zinc/80/87/27/873808727.db2.gz OWQSAOWZSZETQA-QFBILLFUSA-N 2 1 380.458 3.672 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccsc3[C@@H]2C)CC1 ZINC001197432208 873809776 /nfs/dbraw/zinc/80/97/76/873809776.db2.gz PNIWDRNZPNJKAM-SFHVURJKSA-N 2 1 397.588 3.756 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccsc3[C@@H]2C)CC1 ZINC001197432208 873809787 /nfs/dbraw/zinc/80/97/87/873809787.db2.gz PNIWDRNZPNJKAM-SFHVURJKSA-N 2 1 397.588 3.756 20 0 GHADMP COC(=O)CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000541534726 873822743 /nfs/dbraw/zinc/82/27/43/873822743.db2.gz VKIMKVTVBAZVFG-UHFFFAOYSA-N 2 1 378.476 3.531 20 0 GHADMP FC(F)(F)c1cccnc1OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000122905883 882764556 /nfs/dbraw/zinc/76/45/56/882764556.db2.gz BZMTXFPPJLFIAK-UHFFFAOYSA-N 2 1 379.426 3.733 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)[C@@H](C)C1 ZINC000527993915 873861375 /nfs/dbraw/zinc/86/13/75/873861375.db2.gz FZWOIYSALXMUJO-HRAATJIYSA-N 2 1 375.532 3.885 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000541557735 873863011 /nfs/dbraw/zinc/86/30/11/873863011.db2.gz KYZSDBRCGMOSKM-RBUKOAKNSA-N 2 1 395.613 3.632 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769217954 873899205 /nfs/dbraw/zinc/89/92/05/873899205.db2.gz QFHRGXRJWLRSIA-HKUYNNGSSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769217954 873899218 /nfs/dbraw/zinc/89/92/18/873899218.db2.gz QFHRGXRJWLRSIA-HKUYNNGSSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000769217954 873899231 /nfs/dbraw/zinc/89/92/31/873899231.db2.gz QFHRGXRJWLRSIA-HKUYNNGSSA-N 2 1 376.541 3.683 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448828040 874027686 /nfs/dbraw/zinc/02/76/86/874027686.db2.gz IVCHJZYCAOPHLD-UHFFFAOYSA-N 2 1 389.503 3.573 20 0 GHADMP Cc1[nH]c(C2CC[NH+](CC(=O)N(Cc3ccc(C)cc3)C3CC3)CC2)[nH+]c1C ZINC001197844906 874067822 /nfs/dbraw/zinc/06/78/22/874067822.db2.gz PPELEOWSYLFOPA-UHFFFAOYSA-N 2 1 380.536 3.706 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000769689507 874232419 /nfs/dbraw/zinc/23/24/19/874232419.db2.gz RVSMCPCSVXFYNG-QZTJIDSGSA-N 2 1 397.604 3.691 20 0 GHADMP CCc1noc(C)c1[C@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000769870650 874345010 /nfs/dbraw/zinc/34/50/10/874345010.db2.gz BEIZGQVXUISYQM-IBGZPJMESA-N 2 1 384.568 3.794 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccc(F)c2Br)c1 ZINC000449092606 874493401 /nfs/dbraw/zinc/49/34/01/874493401.db2.gz UVQQVWCKNUKOFO-UHFFFAOYSA-N 2 1 381.289 3.818 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000541915583 874518965 /nfs/dbraw/zinc/51/89/65/874518965.db2.gz RMWMPXIQFXMXNR-SIKLNZKXSA-N 2 1 395.503 3.587 20 0 GHADMP Fc1cccc(F)c1-c1ncc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000449164596 874561151 /nfs/dbraw/zinc/56/11/51/874561151.db2.gz ZSYPMJSSNLGVHD-AWEZNQCLSA-N 2 1 393.503 3.679 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCCO1 ZINC000449282426 874666775 /nfs/dbraw/zinc/66/67/75/874666775.db2.gz HMSHGTRXAIBTGD-CXAGYDPISA-N 2 1 385.321 3.666 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)c2cccs2)CC1 ZINC001198967874 874732355 /nfs/dbraw/zinc/73/23/55/874732355.db2.gz CVOUBTYORVGLNR-OALUTQOASA-N 2 1 377.598 3.508 20 0 GHADMP COc1cc(F)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000449343081 874733326 /nfs/dbraw/zinc/73/33/26/874733326.db2.gz HNNTWTJXJVKODF-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000122978645 882860630 /nfs/dbraw/zinc/86/06/30/882860630.db2.gz FHZXTTBCIVUAFM-JTHBVZDNSA-N 2 1 398.595 3.687 20 0 GHADMP CCC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494297 874950563 /nfs/dbraw/zinc/95/05/63/874950563.db2.gz GPPSVSCBEDZSBR-LADGPHEKSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494297 874950568 /nfs/dbraw/zinc/95/05/68/874950568.db2.gz GPPSVSCBEDZSBR-LADGPHEKSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494297 874950578 /nfs/dbraw/zinc/95/05/78/874950578.db2.gz GPPSVSCBEDZSBR-LADGPHEKSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494297 874950582 /nfs/dbraw/zinc/95/05/82/874950582.db2.gz GPPSVSCBEDZSBR-LADGPHEKSA-N 2 1 385.596 3.837 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cc4ccccc4s3)C2)CC1 ZINC000449502565 874965272 /nfs/dbraw/zinc/96/52/72/874965272.db2.gz OTIBLNLURILSRE-LJQANCHMSA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc4ccccc4s3)C2)CC1 ZINC000449502565 874965280 /nfs/dbraw/zinc/96/52/80/874965280.db2.gz OTIBLNLURILSRE-LJQANCHMSA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000449502565 874965286 /nfs/dbraw/zinc/96/52/86/874965286.db2.gz OTIBLNLURILSRE-LJQANCHMSA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000449502565 874965292 /nfs/dbraw/zinc/96/52/92/874965292.db2.gz OTIBLNLURILSRE-LJQANCHMSA-N 2 1 385.577 3.668 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528785961 875058669 /nfs/dbraw/zinc/05/86/69/875058669.db2.gz DWKWAJKMOCJHDZ-OAQYLSRUSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528785961 875058678 /nfs/dbraw/zinc/05/86/78/875058678.db2.gz DWKWAJKMOCJHDZ-OAQYLSRUSA-N 2 1 389.971 3.828 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001199666888 875112139 /nfs/dbraw/zinc/11/21/39/875112139.db2.gz GRIGPOLJVLPGLJ-OTPAQWSUSA-N 2 1 393.575 3.517 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001199666888 875112144 /nfs/dbraw/zinc/11/21/44/875112144.db2.gz GRIGPOLJVLPGLJ-OTPAQWSUSA-N 2 1 393.575 3.517 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000303151427 875121225 /nfs/dbraw/zinc/12/12/25/875121225.db2.gz FMZJXSUHUHIANR-HNNXBMFYSA-N 2 1 394.357 3.584 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[N@@H+]1CCc2ccccc2C1 ZINC000465134609 875184842 /nfs/dbraw/zinc/18/48/42/875184842.db2.gz BPEXQVNZCYHGMY-SFHVURJKSA-N 2 1 390.531 3.588 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[N@H+]1CCc2ccccc2C1 ZINC000465134609 875184843 /nfs/dbraw/zinc/18/48/43/875184843.db2.gz BPEXQVNZCYHGMY-SFHVURJKSA-N 2 1 390.531 3.588 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@H](c4cccc(Cl)c4)C3)cn2)CC1 ZINC000449789125 875412100 /nfs/dbraw/zinc/41/21/00/875412100.db2.gz GJSMRKOWIMSNMA-PZJWPPBQSA-N 2 1 399.970 3.698 20 0 GHADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000542405500 875509372 /nfs/dbraw/zinc/50/93/72/875509372.db2.gz JMCMNUZMQCYBMP-WZONZLPQSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542405500 875509384 /nfs/dbraw/zinc/50/93/84/875509384.db2.gz JMCMNUZMQCYBMP-WZONZLPQSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542405500 875509392 /nfs/dbraw/zinc/50/93/92/875509392.db2.gz JMCMNUZMQCYBMP-WZONZLPQSA-N 2 1 377.532 3.531 20 0 GHADMP C[NH+]1CCC(c2ccc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001201612633 875788662 /nfs/dbraw/zinc/78/86/62/875788662.db2.gz SSNFYVVKLUVBLA-UHFFFAOYSA-N 2 1 392.547 3.627 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000134634715 882963973 /nfs/dbraw/zinc/96/39/73/882963973.db2.gz BJAVZRWSAGAQKE-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000450058047 875876711 /nfs/dbraw/zinc/87/67/11/875876711.db2.gz GQVWZZWFEDTJCF-ZCYQVOJMSA-N 2 1 397.607 3.619 20 0 GHADMP Cc1c[nH+]cn1CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529304234 876007857 /nfs/dbraw/zinc/00/78/57/876007857.db2.gz IHTAVONSKFZTIP-ZJVRTDGDSA-N 2 1 386.927 3.575 20 0 GHADMP Cc1c[nH+]cn1CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529304234 876007864 /nfs/dbraw/zinc/00/78/64/876007864.db2.gz IHTAVONSKFZTIP-ZJVRTDGDSA-N 2 1 386.927 3.575 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000785507185 876078382 /nfs/dbraw/zinc/07/83/82/876078382.db2.gz IYYZJRXOMKMXGA-HXUWFJFHSA-N 2 1 388.556 3.834 20 0 GHADMP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000450225605 876114086 /nfs/dbraw/zinc/11/40/86/876114086.db2.gz HCDVCACPZDGAPI-NXHRZFHOSA-N 2 1 391.522 3.761 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(CC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000509463926 876158649 /nfs/dbraw/zinc/15/86/49/876158649.db2.gz MFTSIFHKLZQRAN-PKOBYXMFSA-N 2 1 383.502 3.903 20 0 GHADMP Brc1ccc2ncc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000192921840 883046358 /nfs/dbraw/zinc/04/63/58/883046358.db2.gz ODRHUHDLGUGXOG-QGZVFWFLSA-N 2 1 399.336 3.709 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000850421282 876903290 /nfs/dbraw/zinc/90/32/90/876903290.db2.gz SOUKQJOMQOHCJD-ZTQAJYAQSA-N 2 1 378.438 3.780 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000850425432 876907591 /nfs/dbraw/zinc/90/75/91/876907591.db2.gz MGOKCQGCYCSIOD-IBGZPJMESA-N 2 1 379.548 3.610 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850476434 876954469 /nfs/dbraw/zinc/95/44/69/876954469.db2.gz KKIZCSXZWZAINN-SFHVURJKSA-N 2 1 385.474 3.590 20 0 GHADMP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174341712 876974566 /nfs/dbraw/zinc/97/45/66/876974566.db2.gz UGXAYHFYWVEJAR-RTWAWAEBSA-N 2 1 389.609 3.505 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OCc2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000786967305 877055289 /nfs/dbraw/zinc/05/52/89/877055289.db2.gz UVXKWGOGBZMJNU-OIBXWCBGSA-N 2 1 380.532 3.834 20 0 GHADMP CC[C@@H]1C[NH+](Cc2cc(C[N@H+]3CCCO[C@@H](CC)C3)ccc2F)CCCO1 ZINC000450899418 877062320 /nfs/dbraw/zinc/06/23/20/877062320.db2.gz DLUKQZNLMUVEAV-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP CC[C@@H]1C[N@H+](Cc2cc(C[NH+]3CCCO[C@@H](CC)C3)ccc2F)CCCO1 ZINC000450899418 877062336 /nfs/dbraw/zinc/06/23/36/877062336.db2.gz DLUKQZNLMUVEAV-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cc(C[NH+]3CCCO[C@@H](CC)C3)ccc2F)CCCO1 ZINC000450899418 877062349 /nfs/dbraw/zinc/06/23/49/877062349.db2.gz DLUKQZNLMUVEAV-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)[C@H](C)C1 ZINC000136417799 877202660 /nfs/dbraw/zinc/20/26/60/877202660.db2.gz QGULAZIHQKKUGR-VQIMIIECSA-N 2 1 383.374 3.718 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)cc2)CC1 ZINC000551619488 877544885 /nfs/dbraw/zinc/54/48/85/877544885.db2.gz GMZURYWPHDHGJK-UHFFFAOYSA-N 2 1 376.504 3.840 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000121729901 877690327 /nfs/dbraw/zinc/69/03/27/877690327.db2.gz WBEZMUYLACYSQG-INIZCTEOSA-N 2 1 383.540 3.804 20 0 GHADMP CCCN(C(=O)NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000245393721 877793419 /nfs/dbraw/zinc/79/34/19/877793419.db2.gz WJZFLGWTFBLVSN-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245393721 877793438 /nfs/dbraw/zinc/79/34/38/877793438.db2.gz WJZFLGWTFBLVSN-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000245393721 877793455 /nfs/dbraw/zinc/79/34/55/877793455.db2.gz WJZFLGWTFBLVSN-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000084868376 877874575 /nfs/dbraw/zinc/87/45/75/877874575.db2.gz ZGWCVJCKKZSGRT-NELJVSICSA-N 2 1 381.564 3.687 20 0 GHADMP Fc1ccccc1-c1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000477600257 877913647 /nfs/dbraw/zinc/91/36/47/877913647.db2.gz JUGAVOHNEZIQCI-UHFFFAOYSA-N 2 1 389.540 3.884 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451565700 878161788 /nfs/dbraw/zinc/16/17/88/878161788.db2.gz LSJNFFYTXQCROI-DVRVPYBTSA-N 2 1 378.532 3.539 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451565700 878161805 /nfs/dbraw/zinc/16/18/05/878161805.db2.gz LSJNFFYTXQCROI-DVRVPYBTSA-N 2 1 378.532 3.539 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451565700 878161820 /nfs/dbraw/zinc/16/18/20/878161820.db2.gz LSJNFFYTXQCROI-DVRVPYBTSA-N 2 1 378.532 3.539 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)C1CCCCC1 ZINC000615893826 878228973 /nfs/dbraw/zinc/22/89/73/878228973.db2.gz DCMRANVLDNZENA-GGAORHGYSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000615893826 878228989 /nfs/dbraw/zinc/22/89/89/878228989.db2.gz DCMRANVLDNZENA-GGAORHGYSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000615893826 878229008 /nfs/dbraw/zinc/22/90/08/878229008.db2.gz DCMRANVLDNZENA-GGAORHGYSA-N 2 1 398.595 3.877 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)C1CCCCC1 ZINC000615893886 878231568 /nfs/dbraw/zinc/23/15/68/878231568.db2.gz GSKBGVBSPWVZBW-XZOQPEGZSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000615893886 878231589 /nfs/dbraw/zinc/23/15/89/878231589.db2.gz GSKBGVBSPWVZBW-XZOQPEGZSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000615893886 878231607 /nfs/dbraw/zinc/23/16/07/878231607.db2.gz GSKBGVBSPWVZBW-XZOQPEGZSA-N 2 1 398.595 3.877 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000176831804 878431068 /nfs/dbraw/zinc/43/10/68/878431068.db2.gz HQMREZNWKXBYHF-LEWJYISDSA-N 2 1 388.600 3.516 20 0 GHADMP [NH3+]CCCCCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000237979365 878434965 /nfs/dbraw/zinc/43/49/65/878434965.db2.gz NRTVRUIQNSPWHZ-UHFFFAOYSA-N 2 1 379.548 3.829 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)c1 ZINC000667035944 878456267 /nfs/dbraw/zinc/45/62/67/878456267.db2.gz WEDLDWKOTPQBLB-UHFFFAOYSA-N 2 1 390.531 3.538 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)c1 ZINC000667035944 878456277 /nfs/dbraw/zinc/45/62/77/878456277.db2.gz WEDLDWKOTPQBLB-UHFFFAOYSA-N 2 1 390.531 3.538 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)c1 ZINC000667035944 878456284 /nfs/dbraw/zinc/45/62/84/878456284.db2.gz WEDLDWKOTPQBLB-UHFFFAOYSA-N 2 1 390.531 3.538 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)c1 ZINC000667035944 878456292 /nfs/dbraw/zinc/45/62/92/878456292.db2.gz WEDLDWKOTPQBLB-UHFFFAOYSA-N 2 1 390.531 3.538 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1sccc1Br ZINC000537944823 878560827 /nfs/dbraw/zinc/56/08/27/878560827.db2.gz OMIRIELARBHGTQ-GFCCVEGCSA-N 2 1 384.343 3.697 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1SC(F)F ZINC000852753406 878579474 /nfs/dbraw/zinc/57/94/74/878579474.db2.gz AJCBFKJWRQXNKY-OAHLLOKOSA-N 2 1 383.508 3.651 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000245786251 878591849 /nfs/dbraw/zinc/59/18/49/878591849.db2.gz VHXGBLGVAFMQRY-SIKLNZKXSA-N 2 1 396.531 3.581 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000245786251 878591861 /nfs/dbraw/zinc/59/18/61/878591861.db2.gz VHXGBLGVAFMQRY-SIKLNZKXSA-N 2 1 396.531 3.581 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000245786251 878591874 /nfs/dbraw/zinc/59/18/74/878591874.db2.gz VHXGBLGVAFMQRY-SIKLNZKXSA-N 2 1 396.531 3.581 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000772729711 878606896 /nfs/dbraw/zinc/60/68/96/878606896.db2.gz OBFMZVVPBADDOC-NRFANRHFSA-N 2 1 395.551 3.535 20 0 GHADMP c1cc(C[NH+]2CCC[C@@]3(CCOC3)C2)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000451899648 878664872 /nfs/dbraw/zinc/66/48/72/878664872.db2.gz KVZIMUACGGKGIJ-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1cc(C[NH+]2CCC[C@]3(CCOC3)C2)cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451899648 878664881 /nfs/dbraw/zinc/66/48/81/878664881.db2.gz KVZIMUACGGKGIJ-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1cc(C[NH+]2CCC[C@]3(CCOC3)C2)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451899648 878664885 /nfs/dbraw/zinc/66/48/85/878664885.db2.gz KVZIMUACGGKGIJ-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1F ZINC000245875252 878681613 /nfs/dbraw/zinc/68/16/13/878681613.db2.gz ALMJDFFWQOBMPL-KNQAVFIVSA-N 2 1 383.511 3.764 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCc3c(F)cccc3Cl)CC2)C[C@@H](C)O1 ZINC000538045483 878753356 /nfs/dbraw/zinc/75/33/56/878753356.db2.gz NSPGONHOMXCRDR-IAGOWNOFSA-N 2 1 398.950 3.612 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H](O)c2ccccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000853063692 878782805 /nfs/dbraw/zinc/78/28/05/878782805.db2.gz FDIBHTYBEKVFNG-DHIUTWEWSA-N 2 1 379.548 3.738 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000177842690 878882991 /nfs/dbraw/zinc/88/29/91/878882991.db2.gz DEJRPBXOHATQJW-MOPGFXCFSA-N 2 1 392.613 3.504 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000246050815 878903594 /nfs/dbraw/zinc/90/35/94/878903594.db2.gz PNYWRXPDLJOCDW-QMMLZNLJSA-N 2 1 378.582 3.506 20 0 GHADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853239941 878923092 /nfs/dbraw/zinc/92/30/92/878923092.db2.gz KLSZKHYQLDUQBY-SFTDATJTSA-N 2 1 385.552 3.752 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000246090596 878961202 /nfs/dbraw/zinc/96/12/02/878961202.db2.gz GGAQGOHGZVOPLE-VXKWHMMOSA-N 2 1 392.632 3.796 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000178523020 879139606 /nfs/dbraw/zinc/13/96/06/879139606.db2.gz FALYFNLZOMDDLK-GOSISDBHSA-N 2 1 386.511 3.902 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000616999887 879305043 /nfs/dbraw/zinc/30/50/43/879305043.db2.gz PPYIMCSVGFVDFW-HKUYNNGSSA-N 2 1 386.584 3.730 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000616999887 879305057 /nfs/dbraw/zinc/30/50/57/879305057.db2.gz PPYIMCSVGFVDFW-HKUYNNGSSA-N 2 1 386.584 3.730 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000246325838 879391572 /nfs/dbraw/zinc/39/15/72/879391572.db2.gz SHAMIJMTDAVRJQ-MKQGEQSTSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000246330766 879402895 /nfs/dbraw/zinc/40/28/95/879402895.db2.gz BHDYGUBHDNGZTL-WOJBJXKFSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000538407710 879443643 /nfs/dbraw/zinc/44/36/43/879443643.db2.gz KRHNTGMMZUXDSA-GFCCVEGCSA-N 2 1 389.849 3.927 20 0 GHADMP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246426754 879552390 /nfs/dbraw/zinc/55/23/90/879552390.db2.gz CLBCALMNTQMZHJ-YUXAGFNASA-N 2 1 399.579 3.601 20 0 GHADMP C[C@]1(CCCO)CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@@]2(C)CCCO)c1 ZINC000538512498 879636422 /nfs/dbraw/zinc/63/64/22/879636422.db2.gz RYFJABGBUMKQGQ-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP C[C@]1(CCCO)CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1 ZINC000538512498 879636429 /nfs/dbraw/zinc/63/64/29/879636429.db2.gz RYFJABGBUMKQGQ-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP C[C@]1(CCCO)CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@@]2(C)CCCO)c1 ZINC000538512498 879636436 /nfs/dbraw/zinc/63/64/36/879636436.db2.gz RYFJABGBUMKQGQ-PSWAGMNNSA-N 2 1 388.596 3.941 20 0 GHADMP CC(C)c1ccc(C[C@H]2CC[N@H+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C2)cc1 ZINC000790382993 879653276 /nfs/dbraw/zinc/65/32/76/879653276.db2.gz HRYKKJRPZNJBBY-HYBUGGRVSA-N 2 1 397.563 3.549 20 0 GHADMP CC(C)c1ccc(C[C@H]2CC[N@@H+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C2)cc1 ZINC000790382993 879653284 /nfs/dbraw/zinc/65/32/84/879653284.db2.gz HRYKKJRPZNJBBY-HYBUGGRVSA-N 2 1 397.563 3.549 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000246632652 879729867 /nfs/dbraw/zinc/72/98/67/879729867.db2.gz XFNWOAHUWHLJSY-UGKGYDQZSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246632652 879729877 /nfs/dbraw/zinc/72/98/77/879729877.db2.gz XFNWOAHUWHLJSY-UGKGYDQZSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246632652 879729891 /nfs/dbraw/zinc/72/98/91/879729891.db2.gz XFNWOAHUWHLJSY-UGKGYDQZSA-N 2 1 388.600 3.933 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000531379027 879737078 /nfs/dbraw/zinc/73/70/78/879737078.db2.gz NQCTVFRWWYTYBF-KBMXLJTQSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000531379027 879737091 /nfs/dbraw/zinc/73/70/91/879737091.db2.gz NQCTVFRWWYTYBF-KBMXLJTQSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000531379027 879737106 /nfs/dbraw/zinc/73/71/06/879737106.db2.gz NQCTVFRWWYTYBF-KBMXLJTQSA-N 2 1 375.340 3.538 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000493928887 879740874 /nfs/dbraw/zinc/74/08/74/879740874.db2.gz VRJYCLDNESNJJL-ZWKOTPCHSA-N 2 1 381.358 3.571 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000790478591 879752664 /nfs/dbraw/zinc/75/26/64/879752664.db2.gz PZPCCRDZSYHYTD-NRFANRHFSA-N 2 1 387.568 3.745 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](C)C1 ZINC000538588044 879799309 /nfs/dbraw/zinc/79/93/09/879799309.db2.gz LMNXWLAEXRQNTK-UGKGYDQZSA-N 2 1 391.625 3.784 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](C)C1 ZINC000538588040 879799540 /nfs/dbraw/zinc/79/95/40/879799540.db2.gz LMNXWLAEXRQNTK-KNQAVFIVSA-N 2 1 391.625 3.784 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461443475 879826152 /nfs/dbraw/zinc/82/61/52/879826152.db2.gz AOYTWBCXZSQJIL-GOTSBHOMSA-N 2 1 385.596 3.869 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc2[nH]ccc21 ZINC000494018508 879829568 /nfs/dbraw/zinc/82/95/68/879829568.db2.gz PPQDPNMYFNHGNY-UHFFFAOYSA-N 2 1 390.531 3.512 20 0 GHADMP COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000247028524 879891420 /nfs/dbraw/zinc/89/14/20/879891420.db2.gz MARXXVNIFZSZCM-VQTJNVASSA-N 2 1 398.547 3.783 20 0 GHADMP COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000247028524 879891440 /nfs/dbraw/zinc/89/14/40/879891440.db2.gz MARXXVNIFZSZCM-VQTJNVASSA-N 2 1 398.547 3.783 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247195932 879940339 /nfs/dbraw/zinc/94/03/39/879940339.db2.gz WAAXSZADPYYURI-RBUKOAKNSA-N 2 1 390.535 3.745 20 0 GHADMP CC(CN1CCC[C@H]1C[NH+]1CCCCC1)C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000247240545 879952546 /nfs/dbraw/zinc/95/25/46/879952546.db2.gz ZBLHBQULKROUOL-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000247578802 880029582 /nfs/dbraw/zinc/02/95/82/880029582.db2.gz YCLGSPMBFQZZSO-AQNXPRMDSA-N 2 1 380.621 3.649 20 0 GHADMP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247938625 880090738 /nfs/dbraw/zinc/09/07/38/880090738.db2.gz CUCFANPEVJUCLQ-WIYYLYMNSA-N 2 1 395.547 3.552 20 0 GHADMP CC[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000531686576 880317548 /nfs/dbraw/zinc/31/75/48/880317548.db2.gz PMNYIAYHIXHSLF-RHSMWYFYSA-N 2 1 382.346 3.630 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453135218 880530326 /nfs/dbraw/zinc/53/03/26/880530326.db2.gz WFGOPHAWOFAYSG-YTFSRNRJSA-N 2 1 380.532 3.591 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453135218 880530335 /nfs/dbraw/zinc/53/03/35/880530335.db2.gz WFGOPHAWOFAYSG-YTFSRNRJSA-N 2 1 380.532 3.591 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC12CCOCC2 ZINC000453218263 880635296 /nfs/dbraw/zinc/63/52/96/880635296.db2.gz PMJLJNQUIOWDBT-OSFFKXSWSA-N 2 1 398.591 3.587 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000453224953 880646028 /nfs/dbraw/zinc/64/60/28/880646028.db2.gz CFUQCRWCYULMJK-PXNSSMCTSA-N 2 1 390.959 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H](C)C1 ZINC000453224953 880646034 /nfs/dbraw/zinc/64/60/34/880646034.db2.gz CFUQCRWCYULMJK-PXNSSMCTSA-N 2 1 390.959 3.752 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453295286 880743124 /nfs/dbraw/zinc/74/31/24/880743124.db2.gz YEGMFYWLATZUER-PZJWPPBQSA-N 2 1 385.596 3.696 20 0 GHADMP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)c2ccccc2)CC1 ZINC000531965299 880832354 /nfs/dbraw/zinc/83/23/54/880832354.db2.gz SBLCLIFIQBQMMF-LEWJYISDSA-N 2 1 385.552 3.941 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000776864778 880912070 /nfs/dbraw/zinc/91/20/70/880912070.db2.gz MHIDIOMYROWQJO-FPOVZHCZSA-N 2 1 387.568 3.540 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000792271928 881027762 /nfs/dbraw/zinc/02/77/62/881027762.db2.gz NXBOIBLDXRENOU-QGZVFWFLSA-N 2 1 391.519 3.926 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C1CC1 ZINC000453592408 881112993 /nfs/dbraw/zinc/11/29/93/881112993.db2.gz FBSJMLKNBSZCMV-UHFFFAOYSA-N 2 1 383.330 3.574 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC000556983952 881291095 /nfs/dbraw/zinc/29/10/95/881291095.db2.gz QXTJDZWKLUXKDL-UYAOXDASSA-N 2 1 393.522 3.525 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000466811974 912666389 /nfs/dbraw/zinc/66/63/89/912666389.db2.gz AGJAZZLQTBDFLC-UHFFFAOYSA-N 2 1 390.959 3.849 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000123191802 883169048 /nfs/dbraw/zinc/16/90/48/883169048.db2.gz WRFXKEQIXNNMCC-SFHVURJKSA-N 2 1 395.551 3.759 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000195139417 883192490 /nfs/dbraw/zinc/19/24/90/883192490.db2.gz NTGJTXIGXHWDPC-UNMCSNQZSA-N 3 1 381.564 3.800 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000195139417 883192503 /nfs/dbraw/zinc/19/25/03/883192503.db2.gz NTGJTXIGXHWDPC-UNMCSNQZSA-N 2 1 381.564 3.800 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694592 883206777 /nfs/dbraw/zinc/20/67/77/883206777.db2.gz OCESKACOIWVAEY-VWNXMTODSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694592 883206791 /nfs/dbraw/zinc/20/67/91/883206791.db2.gz OCESKACOIWVAEY-VWNXMTODSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694592 883206804 /nfs/dbraw/zinc/20/68/04/883206804.db2.gz OCESKACOIWVAEY-VWNXMTODSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4Cc4ccccc4)C3)cc2)n1 ZINC000537694592 883206815 /nfs/dbraw/zinc/20/68/15/883206815.db2.gz OCESKACOIWVAEY-VWNXMTODSA-N 2 1 387.531 3.754 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480251 912718518 /nfs/dbraw/zinc/71/85/18/912718518.db2.gz LBHHQMWJDOTHBT-SFTZYOPASA-N 3 1 378.564 3.800 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480251 912718530 /nfs/dbraw/zinc/71/85/30/912718530.db2.gz LBHHQMWJDOTHBT-SFTZYOPASA-N 2 1 378.564 3.800 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480251 912718542 /nfs/dbraw/zinc/71/85/42/912718542.db2.gz LBHHQMWJDOTHBT-SFTZYOPASA-N 2 1 378.564 3.800 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000476986257 883540681 /nfs/dbraw/zinc/54/06/81/883540681.db2.gz PDLHBFACCPDZIU-IBGZPJMESA-N 2 1 389.559 3.761 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000476986259 883540880 /nfs/dbraw/zinc/54/08/80/883540880.db2.gz PDLHBFACCPDZIU-LJQANCHMSA-N 2 1 389.559 3.761 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccc1Cl ZINC000465430179 883644449 /nfs/dbraw/zinc/64/44/49/883644449.db2.gz YIVCUJFNLYRITH-VQIMIIECSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859255552 883697208 /nfs/dbraw/zinc/69/72/08/883697208.db2.gz OFTRHVMRLZCMFI-GHTZIAJQSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859255552 883697219 /nfs/dbraw/zinc/69/72/19/883697219.db2.gz OFTRHVMRLZCMFI-GHTZIAJQSA-N 2 1 387.568 3.744 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000465434680 883753803 /nfs/dbraw/zinc/75/38/03/883753803.db2.gz RPCWBPDQPWHIIO-FPOVZHCZSA-N 2 1 396.579 3.958 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859362968 883774264 /nfs/dbraw/zinc/77/42/64/883774264.db2.gz CWUZNKLTAVBXQG-IBGZPJMESA-N 2 1 375.900 3.546 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859362968 883774277 /nfs/dbraw/zinc/77/42/77/883774277.db2.gz CWUZNKLTAVBXQG-IBGZPJMESA-N 2 1 375.900 3.546 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859362968 883774294 /nfs/dbraw/zinc/77/42/94/883774294.db2.gz CWUZNKLTAVBXQG-IBGZPJMESA-N 2 1 375.900 3.546 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859362968 883774307 /nfs/dbraw/zinc/77/43/07/883774307.db2.gz CWUZNKLTAVBXQG-IBGZPJMESA-N 2 1 375.900 3.546 20 0 GHADMP C[C@H]1C[C@@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC[N@H+]1C ZINC000666172371 883782694 /nfs/dbraw/zinc/78/26/94/883782694.db2.gz NWUFPSFSMCOIBR-ZQAWKMMESA-N 2 1 381.539 3.866 20 0 GHADMP C[C@H]1C[C@@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC[NH+]1C ZINC000666172371 883782710 /nfs/dbraw/zinc/78/27/10/883782710.db2.gz NWUFPSFSMCOIBR-ZQAWKMMESA-N 2 1 381.539 3.866 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000465437787 883852084 /nfs/dbraw/zinc/85/20/84/883852084.db2.gz WXZGZZSMEXIQDH-FRQCXROJSA-N 2 1 380.964 3.505 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000465437788 883853034 /nfs/dbraw/zinc/85/30/34/883853034.db2.gz WXZGZZSMEXIQDH-GPMSIDNRSA-N 2 1 380.964 3.505 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000043859975 884114361 /nfs/dbraw/zinc/11/43/61/884114361.db2.gz FPXHPZQEVAIJNX-HXUWFJFHSA-N 2 1 386.584 3.523 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556233018 884177898 /nfs/dbraw/zinc/17/78/98/884177898.db2.gz DWIDRWGIAKDCKQ-QXAKKESOSA-N 2 1 395.473 3.748 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000556233018 884177904 /nfs/dbraw/zinc/17/79/04/884177904.db2.gz DWIDRWGIAKDCKQ-QXAKKESOSA-N 2 1 395.473 3.748 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCCC1 ZINC000465460264 884304680 /nfs/dbraw/zinc/30/46/80/884304680.db2.gz RFFLKYPYSLSWHT-IEBWSBKVSA-N 2 1 392.613 3.695 20 0 GHADMP Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000542534249 884395932 /nfs/dbraw/zinc/39/59/32/884395932.db2.gz ZDRPPDWWQNUXEA-QKLQHJQFSA-N 2 1 385.577 3.795 20 0 GHADMP Cc1ccc2c(c1)[nH+]ccc2-n1ccc(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC001170500240 884420431 /nfs/dbraw/zinc/42/04/31/884420431.db2.gz KLOCSSCMDKMLRB-LMDPOFIKSA-N 2 1 388.515 3.915 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000495054151 884455892 /nfs/dbraw/zinc/45/58/92/884455892.db2.gz RLXLRENJCHSMGT-HHXXYDBFSA-N 2 1 397.485 3.735 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000495054151 884455901 /nfs/dbraw/zinc/45/59/01/884455901.db2.gz RLXLRENJCHSMGT-HHXXYDBFSA-N 2 1 397.485 3.735 20 0 GHADMP C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495072094 884483119 /nfs/dbraw/zinc/48/31/19/884483119.db2.gz ZXAJDTOHXRUZMT-UPVQGACJSA-N 2 1 399.623 3.769 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130394239 884624786 /nfs/dbraw/zinc/62/47/86/884624786.db2.gz AOEXKGSANSNFNA-IDHHARJASA-N 2 1 385.474 3.545 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000130394239 884624793 /nfs/dbraw/zinc/62/47/93/884624793.db2.gz AOEXKGSANSNFNA-IDHHARJASA-N 2 1 385.474 3.545 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000460346399 884925633 /nfs/dbraw/zinc/92/56/33/884925633.db2.gz GOZXHMWNZODRTE-QZTJIDSGSA-N 2 1 399.966 3.702 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCSc3cc(Cl)ccc3Cl)C2)CC1 ZINC000107369118 885305106 /nfs/dbraw/zinc/30/51/06/885305106.db2.gz JPKHEUWCOZRDKN-MRXNPFEDSA-N 2 1 388.408 3.797 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000107327219 885343142 /nfs/dbraw/zinc/34/31/42/885343142.db2.gz BTGYJNIKBNMZCJ-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000302980913 885409572 /nfs/dbraw/zinc/40/95/72/885409572.db2.gz JOYGFFMJTVTPQZ-RDGPPVDQSA-N 2 1 392.613 3.551 20 0 GHADMP Cc1cc(F)cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1F ZINC001211916706 885441592 /nfs/dbraw/zinc/44/15/92/885441592.db2.gz SPRXPAYDJJJHGH-GOSISDBHSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1F ZINC001211916706 885441602 /nfs/dbraw/zinc/44/16/02/885441602.db2.gz SPRXPAYDJJJHGH-GOSISDBHSA-N 2 1 396.441 3.512 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000550605642 885482047 /nfs/dbraw/zinc/48/20/47/885482047.db2.gz RJGCKSBGFRPCLI-HJOGWXRNSA-N 2 1 397.538 3.624 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000550605642 885482050 /nfs/dbraw/zinc/48/20/50/885482050.db2.gz RJGCKSBGFRPCLI-HJOGWXRNSA-N 2 1 397.538 3.624 20 0 GHADMP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1Cl ZINC000655751799 885615294 /nfs/dbraw/zinc/61/52/94/885615294.db2.gz GAHSLPWHXRGPNI-AEFFLSMTSA-N 2 1 398.378 3.805 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000303677528 885674788 /nfs/dbraw/zinc/67/47/88/885674788.db2.gz QTQTYVVYXFGTIP-KNQAVFIVSA-N 2 1 386.584 3.776 20 0 GHADMP Cc1cc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cn2cc[nH+]c12 ZINC000556657736 885791801 /nfs/dbraw/zinc/79/18/01/885791801.db2.gz HYHRTNRTKRSYIR-UHFFFAOYSA-N 2 1 383.521 3.738 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444542 885793880 /nfs/dbraw/zinc/79/38/80/885793880.db2.gz JHKXCXFCUBNMKY-NZQKXSOJSA-N 2 1 378.564 3.546 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000108712799 885845691 /nfs/dbraw/zinc/84/56/91/885845691.db2.gz UKUSFVFBQPFDOK-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000108712799 885845704 /nfs/dbraw/zinc/84/57/04/885845704.db2.gz UKUSFVFBQPFDOK-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000108712799 885845713 /nfs/dbraw/zinc/84/57/13/885845713.db2.gz UKUSFVFBQPFDOK-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000193382882 885879772 /nfs/dbraw/zinc/87/97/72/885879772.db2.gz WNCVKZHSVSOLKP-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000131461953 886107983 /nfs/dbraw/zinc/10/79/83/886107983.db2.gz KFSWPPZXZZIFOO-KRWDZBQOSA-N 2 1 383.355 3.580 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCCO1 ZINC000762485037 886278397 /nfs/dbraw/zinc/27/83/97/886278397.db2.gz XRJNHJDMPBEBLI-LJQANCHMSA-N 2 1 386.511 3.995 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001168491488 886372047 /nfs/dbraw/zinc/37/20/47/886372047.db2.gz ZJMWZEZESPDJDT-HXUWFJFHSA-N 2 1 397.538 3.766 20 0 GHADMP C[NH+](C)C1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001168321676 886410087 /nfs/dbraw/zinc/41/00/87/886410087.db2.gz KAXNPVFYTVMBQC-XPPIMPSXSA-N 3 1 385.596 3.615 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001168251796 886740784 /nfs/dbraw/zinc/74/07/84/886740784.db2.gz DBHKDFKOZQNKRR-UHFFFAOYSA-N 2 1 384.467 3.579 20 0 GHADMP CCC[N@H+](CC[C@@H](O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000795955666 913108884 /nfs/dbraw/zinc/10/88/84/913108884.db2.gz SGIRZRMJSANVNQ-JOCHJYFZSA-N 2 1 382.552 3.898 20 0 GHADMP CCC[N@@H+](CC[C@@H](O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000795955666 913108890 /nfs/dbraw/zinc/10/88/90/913108890.db2.gz SGIRZRMJSANVNQ-JOCHJYFZSA-N 2 1 382.552 3.898 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000762915629 887087613 /nfs/dbraw/zinc/08/76/13/887087613.db2.gz BHPYDDBIQGHFBG-RTBURBONSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000762915629 887087622 /nfs/dbraw/zinc/08/76/22/887087622.db2.gz BHPYDDBIQGHFBG-RTBURBONSA-N 2 1 376.545 3.693 20 0 GHADMP CC(C)(C)OC(=O)N(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000809594873 887602999 /nfs/dbraw/zinc/60/29/99/887602999.db2.gz BVTDBXFDMQVKIM-PKOBYXMFSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000809594873 887603005 /nfs/dbraw/zinc/60/30/05/887603005.db2.gz BVTDBXFDMQVKIM-PKOBYXMFSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000809594873 887603011 /nfs/dbraw/zinc/60/30/11/887603011.db2.gz BVTDBXFDMQVKIM-PKOBYXMFSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000809594873 887603019 /nfs/dbraw/zinc/60/30/19/887603019.db2.gz BVTDBXFDMQVKIM-PKOBYXMFSA-N 2 1 379.589 3.971 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc(Br)c1O ZINC000459357764 887637354 /nfs/dbraw/zinc/63/73/54/887637354.db2.gz DEXMMJXPYPQPKY-BBRMVZONSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc(Br)c1O ZINC000459357764 887637357 /nfs/dbraw/zinc/63/73/57/887637357.db2.gz DEXMMJXPYPQPKY-BBRMVZONSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc(Br)c1O ZINC000459357764 887637365 /nfs/dbraw/zinc/63/73/65/887637365.db2.gz DEXMMJXPYPQPKY-BBRMVZONSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc(Br)c1O ZINC000459357764 887637367 /nfs/dbraw/zinc/63/73/67/887637367.db2.gz DEXMMJXPYPQPKY-BBRMVZONSA-N 2 1 385.346 3.716 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000809963037 888004725 /nfs/dbraw/zinc/00/47/25/888004725.db2.gz JDKSYJNWROVVEH-MUGJNUQGSA-N 2 1 381.605 3.980 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000809963037 888004733 /nfs/dbraw/zinc/00/47/33/888004733.db2.gz JDKSYJNWROVVEH-MUGJNUQGSA-N 2 1 381.605 3.980 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000809963037 888004744 /nfs/dbraw/zinc/00/47/44/888004744.db2.gz JDKSYJNWROVVEH-MUGJNUQGSA-N 2 1 381.605 3.980 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000054719074 888034735 /nfs/dbraw/zinc/03/47/35/888034735.db2.gz YWKMMBBFZKWMOG-RZUBCFFCSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000054719074 888034742 /nfs/dbraw/zinc/03/47/42/888034742.db2.gz YWKMMBBFZKWMOG-RZUBCFFCSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000054719074 888034749 /nfs/dbraw/zinc/03/47/49/888034749.db2.gz YWKMMBBFZKWMOG-RZUBCFFCSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCC[NH+](C)C1CC1 ZINC000454276248 888309720 /nfs/dbraw/zinc/30/97/20/888309720.db2.gz XVSRHSAWZDCURH-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454276248 888309737 /nfs/dbraw/zinc/30/97/37/888309737.db2.gz XVSRHSAWZDCURH-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454276248 888309753 /nfs/dbraw/zinc/30/97/53/888309753.db2.gz XVSRHSAWZDCURH-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP COc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c(OC)n1 ZINC000810261681 888325036 /nfs/dbraw/zinc/32/50/36/888325036.db2.gz XULBIICRCHSKRY-QGZVFWFLSA-N 2 1 399.535 3.944 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530793 913344117 /nfs/dbraw/zinc/34/41/17/913344117.db2.gz OXHGRCLBZOHIIY-PKTZIBPZSA-N 2 1 382.548 3.545 20 0 GHADMP C[N@H+](CCCn1c2ccccc2[nH]c1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000532989315 889473686 /nfs/dbraw/zinc/47/36/86/889473686.db2.gz KVJKLWJZZBNUGF-FQEVSTJZSA-N 2 1 378.520 3.586 20 0 GHADMP C[N@@H+](CCCn1c2ccccc2[nH]c1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000532989315 889473694 /nfs/dbraw/zinc/47/36/94/889473694.db2.gz KVJKLWJZZBNUGF-FQEVSTJZSA-N 2 1 378.520 3.586 20 0 GHADMP C[NH+](CCCn1c2ccccc2[nH]c1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000532989315 889473700 /nfs/dbraw/zinc/47/37/00/889473700.db2.gz KVJKLWJZZBNUGF-FQEVSTJZSA-N 2 1 378.520 3.586 20 0 GHADMP C[NH+](CCCn1c2ccccc2[nH]c1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000532989315 889473703 /nfs/dbraw/zinc/47/37/03/889473703.db2.gz KVJKLWJZZBNUGF-FQEVSTJZSA-N 2 1 378.520 3.586 20 0 GHADMP CC(C)C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467421 889627701 /nfs/dbraw/zinc/62/77/01/889627701.db2.gz MFHWISDDQHBTFL-NSHGMRRFSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467421 889627707 /nfs/dbraw/zinc/62/77/07/889627707.db2.gz MFHWISDDQHBTFL-NSHGMRRFSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467421 889627711 /nfs/dbraw/zinc/62/77/11/889627711.db2.gz MFHWISDDQHBTFL-NSHGMRRFSA-N 2 1 379.589 3.875 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(C)cc1 ZINC000124998077 889841444 /nfs/dbraw/zinc/84/14/44/889841444.db2.gz NDVYNFZPPWWHGT-QHCPKHFHSA-N 2 1 395.547 3.897 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000644651436 913429461 /nfs/dbraw/zinc/42/94/61/913429461.db2.gz JOEWANPPNCMREE-XZOQPEGZSA-N 2 1 382.548 3.627 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000533430290 890544506 /nfs/dbraw/zinc/54/45/06/890544506.db2.gz CJSXJPBQCHODTR-MSOLQXFVSA-N 2 1 375.582 3.684 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126667087 890640842 /nfs/dbraw/zinc/64/08/42/890640842.db2.gz IGGGGIDRGAQHMF-QHCPKHFHSA-N 2 1 379.548 3.746 20 0 GHADMP CCC1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+](Cc2ccccc2)CC1 ZINC000455479802 891009111 /nfs/dbraw/zinc/00/91/11/891009111.db2.gz SHJOBLALWPLHMK-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1cccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Cl ZINC000533674896 891116863 /nfs/dbraw/zinc/11/68/63/891116863.db2.gz DSGGAGWRHVZGMP-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Sc3ccccc32)CC1 ZINC000872034316 891127208 /nfs/dbraw/zinc/12/72/08/891127208.db2.gz GOLMDZIKQRSUEQ-GOSISDBHSA-N 2 1 375.582 3.534 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695385 891184975 /nfs/dbraw/zinc/18/49/75/891184975.db2.gz AOBIDAOYQCCJSD-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695385 891184983 /nfs/dbraw/zinc/18/49/83/891184983.db2.gz AOBIDAOYQCCJSD-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695385 891184988 /nfs/dbraw/zinc/18/49/88/891184988.db2.gz AOBIDAOYQCCJSD-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000455561792 891217645 /nfs/dbraw/zinc/21/76/45/891217645.db2.gz NKDDEBUNOGVEBV-FPOVZHCZSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067452876 891314072 /nfs/dbraw/zinc/31/40/72/891314072.db2.gz VXEKRIJBDYWERX-KDURUIRLSA-N 2 1 384.568 3.527 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000247094344 891342988 /nfs/dbraw/zinc/34/29/88/891342988.db2.gz RTBWQEWWAKJIOB-TXTKFYIRSA-N 2 1 398.620 3.855 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000247094344 891343001 /nfs/dbraw/zinc/34/30/01/891343001.db2.gz RTBWQEWWAKJIOB-TXTKFYIRSA-N 2 1 398.620 3.855 20 0 GHADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000497416225 891535089 /nfs/dbraw/zinc/53/50/89/891535089.db2.gz JQJYZIKZXGJVGA-XZOQPEGZSA-N 2 1 377.532 3.500 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000128267368 891540202 /nfs/dbraw/zinc/54/02/02/891540202.db2.gz LGZMVZSJGMYUOX-HNNXBMFYSA-N 2 1 385.474 3.689 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000497462913 891663705 /nfs/dbraw/zinc/66/37/05/891663705.db2.gz DOUVMZVWXOSILD-FQEVSTJZSA-N 2 1 391.987 3.933 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000237434891 891787984 /nfs/dbraw/zinc/78/79/84/891787984.db2.gz UXUHUFMNYDCBLA-ZDUSSCGKSA-N 2 1 388.313 3.770 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000475996237 891980539 /nfs/dbraw/zinc/98/05/39/891980539.db2.gz QCHCKRSXESSTNM-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261794674 892119375 /nfs/dbraw/zinc/11/93/75/892119375.db2.gz IMTIIVKJPXZFIW-OFNKIYASSA-N 2 1 393.531 3.559 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1)C(C)C ZINC000497711132 892280525 /nfs/dbraw/zinc/28/05/25/892280525.db2.gz AEFAYKQSPGQNCY-UHFFFAOYSA-N 2 1 384.524 3.505 20 0 GHADMP CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000544530575 892346861 /nfs/dbraw/zinc/34/68/61/892346861.db2.gz HOBPBORBZDOZNF-FQEVSTJZSA-N 2 1 375.582 3.829 20 0 GHADMP O=C1[C@@H]2CCCCC[C@@H]2N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223352 892416270 /nfs/dbraw/zinc/41/62/70/892416270.db2.gz GTLWCKYTRLMYSU-YADHBBJMSA-N 2 1 381.564 3.723 20 0 GHADMP CC1(C)C(=O)N(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[C@H]1C1CC1 ZINC000814225711 892417206 /nfs/dbraw/zinc/41/72/06/892417206.db2.gz WVPUKPSGLFKGDR-NRFANRHFSA-N 2 1 381.564 3.579 20 0 GHADMP O=C1c2cc(F)ccc2CN1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814224347 892418095 /nfs/dbraw/zinc/41/80/95/892418095.db2.gz DIOJRRRBVGOUOX-UHFFFAOYSA-N 2 1 393.506 3.727 20 0 GHADMP O=C1c2cc(F)ccc2CN1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814224347 892418104 /nfs/dbraw/zinc/41/81/04/892418104.db2.gz DIOJRRRBVGOUOX-UHFFFAOYSA-N 2 1 393.506 3.727 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936168 892777123 /nfs/dbraw/zinc/77/71/23/892777123.db2.gz RFPHSRGPWFBWSB-KBAYOESNSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936168 892777133 /nfs/dbraw/zinc/77/71/33/892777133.db2.gz RFPHSRGPWFBWSB-KBAYOESNSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936168 892777135 /nfs/dbraw/zinc/77/71/35/892777135.db2.gz RFPHSRGPWFBWSB-KBAYOESNSA-N 2 1 399.501 3.532 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000497948777 892823573 /nfs/dbraw/zinc/82/35/73/892823573.db2.gz HFLHIAJHTZLZJV-NRFANRHFSA-N 2 1 385.939 3.969 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718559 892847995 /nfs/dbraw/zinc/84/79/95/892847995.db2.gz NYUJGAVUUIWLGS-GCJKJVERSA-N 2 1 377.532 3.579 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814644633 893037013 /nfs/dbraw/zinc/03/70/13/893037013.db2.gz FSIIMPZCDDLEJA-UHFFFAOYSA-N 2 1 376.545 3.695 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000498040879 893050504 /nfs/dbraw/zinc/05/05/04/893050504.db2.gz FYHJPBREOJBOJQ-AZUAARDMSA-N 2 1 392.613 3.648 20 0 GHADMP C[C@@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC000876562150 893229764 /nfs/dbraw/zinc/22/97/64/893229764.db2.gz TUDPUAMIYCMVRW-LJQANCHMSA-N 2 1 377.532 3.516 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000562976168 893237467 /nfs/dbraw/zinc/23/74/67/893237467.db2.gz XLMRHZHQHPJZAD-VABKMULXSA-N 2 1 377.532 3.518 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCN(Cc4ccncc4)CC3)CC23CC3)cc1 ZINC000563120741 893373719 /nfs/dbraw/zinc/37/37/19/893373719.db2.gz GPVCTUWYFFYTDB-DEOSSOPVSA-N 2 1 390.575 3.833 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCN(Cc4ccncc4)CC3)CC23CC3)cc1 ZINC000563120741 893373734 /nfs/dbraw/zinc/37/37/34/893373734.db2.gz GPVCTUWYFFYTDB-DEOSSOPVSA-N 2 1 390.575 3.833 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC[C@@H]21 ZINC000876929879 893392917 /nfs/dbraw/zinc/39/29/17/893392917.db2.gz OJCLGTHMIBGTMP-XFKSJGNHSA-N 2 1 377.573 3.629 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C4CC4)cc3)c2)C1 ZINC000459422616 893502890 /nfs/dbraw/zinc/50/28/90/893502890.db2.gz FYKLCSAUHAODBX-QHCPKHFHSA-N 2 1 377.532 3.551 20 0 GHADMP COc1ccc(C2CC2)c(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000877269424 893547764 /nfs/dbraw/zinc/54/77/64/893547764.db2.gz ILZFTATYRHLHTH-UHFFFAOYSA-N 2 1 393.531 3.895 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199910 893549471 /nfs/dbraw/zinc/54/94/71/893549471.db2.gz FCHKMMXYBGESAA-RTBURBONSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199910 893549493 /nfs/dbraw/zinc/54/94/93/893549493.db2.gz FCHKMMXYBGESAA-RTBURBONSA-N 2 1 376.545 3.693 20 0 GHADMP c1ccc(C[NH+]2CCC([C@@H]3CCCCC[N@@H+]3CCN3CCCOCC3)CC2)cc1 ZINC000459514179 893672996 /nfs/dbraw/zinc/67/29/96/893672996.db2.gz BGJARVVQYNHSFT-VWLOTQADSA-N 2 1 399.623 3.866 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NCc2cccs2)CC1)CC1CC1 ZINC000536736302 893695501 /nfs/dbraw/zinc/69/55/01/893695501.db2.gz HPXQYBHQMGTCHZ-KRWDZBQOSA-N 2 1 377.598 3.587 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(N2CCOCC2)c1 ZINC000556105781 893771927 /nfs/dbraw/zinc/77/19/27/893771927.db2.gz YUGIUSYKZPCXGY-XZOQPEGZSA-N 2 1 379.548 3.757 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(N2CCOCC2)c1 ZINC000556105781 893771938 /nfs/dbraw/zinc/77/19/38/893771938.db2.gz YUGIUSYKZPCXGY-XZOQPEGZSA-N 2 1 379.548 3.757 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000563500771 893832436 /nfs/dbraw/zinc/83/24/36/893832436.db2.gz SCKRRLJTJAXSNX-UYAOXDASSA-N 2 1 392.547 3.755 20 0 GHADMP CCCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563509474 893846072 /nfs/dbraw/zinc/84/60/72/893846072.db2.gz PRKXKNMCIQWORX-JOCHJYFZSA-N 2 1 376.504 3.851 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@@H]2CC4(CO2)CCOCC4)CC3)cc1 ZINC000878321784 894192590 /nfs/dbraw/zinc/19/25/90/894192590.db2.gz BNDXMVMOXGAEHT-QFIPXVFZSA-N 2 1 384.564 3.560 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878338188 894203327 /nfs/dbraw/zinc/20/33/27/894203327.db2.gz YFROJFIORRACJR-QFIPXVFZSA-N 2 1 387.568 3.596 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459794968 894207798 /nfs/dbraw/zinc/20/77/98/894207798.db2.gz VCYPWDILVHPGGU-LSDHHAIUSA-N 2 1 387.446 3.624 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCc1c(C)noc1C ZINC000022820470 894472083 /nfs/dbraw/zinc/47/20/83/894472083.db2.gz XNHIMOZSGVYNLY-UHFFFAOYSA-N 2 1 385.508 3.595 20 0 GHADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(Oc2ccccc2)cc1 ZINC000564204124 894718497 /nfs/dbraw/zinc/71/84/97/894718497.db2.gz LWMBYSGIJBWWGE-CBNMVNINSA-N 2 1 396.531 3.825 20 0 GHADMP CCN(C(=O)NCC[NH+]1CC=C(C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460217939 894875964 /nfs/dbraw/zinc/87/59/64/894875964.db2.gz SCQVRPROXSRQKA-IRLDBZIGSA-N 2 1 384.568 3.505 20 0 GHADMP CCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000460217939 894875971 /nfs/dbraw/zinc/87/59/71/894875971.db2.gz SCQVRPROXSRQKA-IRLDBZIGSA-N 2 1 384.568 3.505 20 0 GHADMP CCN(C(=O)NCC[N@@H+]1CC=C(C)CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000460217939 894875978 /nfs/dbraw/zinc/87/59/78/894875978.db2.gz SCQVRPROXSRQKA-IRLDBZIGSA-N 2 1 384.568 3.505 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000816535917 894905672 /nfs/dbraw/zinc/90/56/72/894905672.db2.gz FUKLTJIEYNTVIS-SFHVURJKSA-N 2 1 387.568 3.804 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000564676225 895172314 /nfs/dbraw/zinc/17/23/14/895172314.db2.gz MOUKYHSUKCBGEO-HXUWFJFHSA-N 2 1 379.976 3.960 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CCCCCC1 ZINC001135794066 895266536 /nfs/dbraw/zinc/26/65/36/895266536.db2.gz YQWFGCNGCHLHIM-OAQYLSRUSA-N 2 1 389.559 3.951 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CCCCCC1 ZINC001135794066 895266550 /nfs/dbraw/zinc/26/65/50/895266550.db2.gz YQWFGCNGCHLHIM-OAQYLSRUSA-N 2 1 389.559 3.951 20 0 GHADMP C[C@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000565509322 895685838 /nfs/dbraw/zinc/68/58/38/895685838.db2.gz WFOOHLIIUXLURD-QRVBRYPASA-N 2 1 378.532 3.519 20 0 GHADMP C[C@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000565509322 895685845 /nfs/dbraw/zinc/68/58/45/895685845.db2.gz WFOOHLIIUXLURD-QRVBRYPASA-N 2 1 378.532 3.519 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1SC(F)F ZINC000817984263 895993455 /nfs/dbraw/zinc/99/34/55/895993455.db2.gz XCJGGRKTKVFQSY-OOHWJJMZSA-N 2 1 399.551 3.877 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000566424111 896304922 /nfs/dbraw/zinc/30/49/22/896304922.db2.gz INHLINGVYCEWAC-XAUMDUMWSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000566424111 896304937 /nfs/dbraw/zinc/30/49/37/896304937.db2.gz INHLINGVYCEWAC-XAUMDUMWSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000566424111 896304952 /nfs/dbraw/zinc/30/49/52/896304952.db2.gz INHLINGVYCEWAC-XAUMDUMWSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444228 896317634 /nfs/dbraw/zinc/31/76/34/896317634.db2.gz LCVCYYMWNGDLLF-MDYRTPRTSA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444228 896317651 /nfs/dbraw/zinc/31/76/51/896317651.db2.gz LCVCYYMWNGDLLF-MDYRTPRTSA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444228 896317665 /nfs/dbraw/zinc/31/76/65/896317665.db2.gz LCVCYYMWNGDLLF-MDYRTPRTSA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(F)cc3Cl)c2)CCO1 ZINC000818974826 896330895 /nfs/dbraw/zinc/33/08/95/896330895.db2.gz FWAUJVLHNQAKSF-VFNWGFHPSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(F)cc3Cl)c2)CCO1 ZINC000818974826 896330908 /nfs/dbraw/zinc/33/09/08/896330908.db2.gz FWAUJVLHNQAKSF-VFNWGFHPSA-N 2 1 392.902 3.523 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819183166 896453947 /nfs/dbraw/zinc/45/39/47/896453947.db2.gz UKRJNVJOWCOFLW-RDTXWAMCSA-N 2 1 387.337 3.579 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282844 896527658 /nfs/dbraw/zinc/52/76/58/896527658.db2.gz CDLPLJCUJVPBIA-UPVQGACJSA-N 2 1 382.548 3.545 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289190847 914079932 /nfs/dbraw/zinc/07/99/32/914079932.db2.gz ATMLLEXCZIRUJR-AIZNXBIQSA-N 2 1 387.531 3.991 20 0 GHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289190847 914079948 /nfs/dbraw/zinc/07/99/48/914079948.db2.gz ATMLLEXCZIRUJR-AIZNXBIQSA-N 2 1 387.531 3.991 20 0 GHADMP C[NH+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289190847 914079957 /nfs/dbraw/zinc/07/99/57/914079957.db2.gz ATMLLEXCZIRUJR-AIZNXBIQSA-N 2 1 387.531 3.991 20 0 GHADMP C[NH+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289190847 914079961 /nfs/dbraw/zinc/07/99/61/914079961.db2.gz ATMLLEXCZIRUJR-AIZNXBIQSA-N 2 1 387.531 3.991 20 0 GHADMP C[N@@H+](CCCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)C1CC1 ZINC000819362252 896639459 /nfs/dbraw/zinc/63/94/59/896639459.db2.gz NJFGHWXUEPSVMM-KRWDZBQOSA-N 2 1 389.765 3.774 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCc3ccccc3F)CC2)c1C ZINC000566907400 896687020 /nfs/dbraw/zinc/68/70/20/896687020.db2.gz KXMSXTRBZLGQIZ-UHFFFAOYSA-N 2 1 385.527 3.985 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCc3ccccc3F)CC2)c1C ZINC000566907400 896687028 /nfs/dbraw/zinc/68/70/28/896687028.db2.gz KXMSXTRBZLGQIZ-UHFFFAOYSA-N 2 1 385.527 3.985 20 0 GHADMP [NH3+]C1(Cc2nc([C@H]3CCC(F)(F)C3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000686767136 896835424 /nfs/dbraw/zinc/83/54/24/896835424.db2.gz YNBGJEGIKBHNPV-INIZCTEOSA-N 2 1 376.451 3.508 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001170938893 897002790 /nfs/dbraw/zinc/00/27/90/897002790.db2.gz AVXCQEWPTKKAHD-OIBXWCBGSA-N 2 1 379.548 3.564 20 0 GHADMP CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000567471369 897185215 /nfs/dbraw/zinc/18/52/15/897185215.db2.gz JQZKIRPUVPGGFQ-JKSUJKDBSA-N 2 1 397.357 3.678 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)CC2)CC1 ZINC000567517014 897216543 /nfs/dbraw/zinc/21/65/43/897216543.db2.gz PNNZSSLLPDNDBR-UHFFFAOYSA-N 2 1 396.579 3.597 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643975 897834836 /nfs/dbraw/zinc/83/48/36/897834836.db2.gz ZESZKOMLOXBVLC-AZUAARDMSA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643975 897834848 /nfs/dbraw/zinc/83/48/48/897834848.db2.gz ZESZKOMLOXBVLC-AZUAARDMSA-N 2 1 384.520 3.678 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001136508039 898104850 /nfs/dbraw/zinc/10/48/50/898104850.db2.gz KVRCEDYTIOVSAY-UHFFFAOYSA-N 2 1 381.511 3.510 20 0 GHADMP CCc1nc(NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cc(C)[nH+]1 ZINC001185968617 914233641 /nfs/dbraw/zinc/23/36/41/914233641.db2.gz JOYNGIQHRQPBDB-QZTJIDSGSA-N 2 1 382.552 3.969 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000569101382 898341470 /nfs/dbraw/zinc/34/14/70/898341470.db2.gz NJDTUGSBFFLOKL-XMSQKQJNSA-N 2 1 380.536 3.512 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000155206118 898418211 /nfs/dbraw/zinc/41/82/11/898418211.db2.gz DTYKXJGLZRRJQC-CVDCTZTESA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000155206118 898418218 /nfs/dbraw/zinc/41/82/18/898418218.db2.gz DTYKXJGLZRRJQC-CVDCTZTESA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000155206118 898418224 /nfs/dbraw/zinc/41/82/24/898418224.db2.gz DTYKXJGLZRRJQC-CVDCTZTESA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000155206118 898418237 /nfs/dbraw/zinc/41/82/37/898418237.db2.gz DTYKXJGLZRRJQC-CVDCTZTESA-N 2 1 380.532 3.887 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]CCC(=O)Nc3ccccc3)CC2)cs1 ZINC000569568012 898794974 /nfs/dbraw/zinc/79/49/74/898794974.db2.gz ABRDECPERSHLRV-UHFFFAOYSA-N 2 1 386.565 3.536 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448037 899031082 /nfs/dbraw/zinc/03/10/82/899031082.db2.gz RQHLEGSRKIPRMA-YZUZCNPQSA-N 2 1 399.579 3.697 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448037 899031096 /nfs/dbraw/zinc/03/10/96/899031096.db2.gz RQHLEGSRKIPRMA-YZUZCNPQSA-N 2 1 399.579 3.697 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823448037 899031108 /nfs/dbraw/zinc/03/11/08/899031108.db2.gz RQHLEGSRKIPRMA-YZUZCNPQSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823971602 899335671 /nfs/dbraw/zinc/33/56/71/899335671.db2.gz UDSNCWKXIJDFBV-OALUTQOASA-N 2 1 397.604 3.501 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000570738184 899548430 /nfs/dbraw/zinc/54/84/30/899548430.db2.gz YOWRGTYKQQLYRZ-UHFFFAOYSA-N 2 1 395.950 3.634 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]c(C(=O)OCc4ccccc4)c3)C2)CC1 ZINC000824389978 899578726 /nfs/dbraw/zinc/57/87/26/899578726.db2.gz YCAYDOMKPVQYDX-NRFANRHFSA-N 2 1 381.520 3.535 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553919 899684969 /nfs/dbraw/zinc/68/49/69/899684969.db2.gz KPCGLNFQAQVUBL-IRNNPGBSSA-N 2 1 388.519 3.713 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)CC1 ZINC000570981378 899697869 /nfs/dbraw/zinc/69/78/69/899697869.db2.gz LLZNZSXQYNKVND-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000571904123 900003189 /nfs/dbraw/zinc/00/31/89/900003189.db2.gz HVPHAZJZCNJMIV-IBGZPJMESA-N 2 1 387.474 3.844 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@H]1CCc3cc(Cl)cc(Cl)c3C1)CC2 ZINC001171078408 900045797 /nfs/dbraw/zinc/04/57/97/900045797.db2.gz JNOLIBNGVQIMSY-HNNXBMFYSA-N 2 1 382.335 3.981 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000134804124 900124297 /nfs/dbraw/zinc/12/42/97/900124297.db2.gz BPZPNQIQGWZNSS-WCIQWLHISA-N 2 1 379.589 3.876 20 0 GHADMP c1nc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)ccc2[nH]1 ZINC001137044490 900198734 /nfs/dbraw/zinc/19/87/34/900198734.db2.gz YUCAIVZMUYCQFZ-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)ccc2[nH]1 ZINC001137044490 900198745 /nfs/dbraw/zinc/19/87/45/900198745.db2.gz YUCAIVZMUYCQFZ-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)ccc2[nH]1 ZINC001137044490 900198754 /nfs/dbraw/zinc/19/87/54/900198754.db2.gz YUCAIVZMUYCQFZ-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)ccc2[nH]1 ZINC001137044490 900198759 /nfs/dbraw/zinc/19/87/59/900198759.db2.gz YUCAIVZMUYCQFZ-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)cc2[nH]1 ZINC001137044490 900198782 /nfs/dbraw/zinc/19/87/82/900198782.db2.gz YUCAIVZMUYCQFZ-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)cc2[nH]1 ZINC001137044490 900198791 /nfs/dbraw/zinc/19/87/91/900198791.db2.gz YUCAIVZMUYCQFZ-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)cc2[nH]1 ZINC001137044490 900198799 /nfs/dbraw/zinc/19/87/99/900198799.db2.gz YUCAIVZMUYCQFZ-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2ccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)cc2[nH]1 ZINC001137044490 900198803 /nfs/dbraw/zinc/19/88/03/900198803.db2.gz YUCAIVZMUYCQFZ-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171101098 900492569 /nfs/dbraw/zinc/49/25/69/900492569.db2.gz RLZRQEBSSOKUSC-GOSISDBHSA-N 2 1 393.959 3.515 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000573584917 900567984 /nfs/dbraw/zinc/56/79/84/900567984.db2.gz MGIAVVVZFKFESN-NZSAHSFTSA-N 2 1 397.485 3.519 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327380 900699347 /nfs/dbraw/zinc/69/93/47/900699347.db2.gz QSCVTTKRCNWGLC-QUCCMNQESA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327380 900699352 /nfs/dbraw/zinc/69/93/52/900699352.db2.gz QSCVTTKRCNWGLC-QUCCMNQESA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327380 900699355 /nfs/dbraw/zinc/69/93/55/900699355.db2.gz QSCVTTKRCNWGLC-QUCCMNQESA-N 2 1 399.560 3.836 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CN(c4ccccc4)C(=O)O3)C2)s1 ZINC000844327380 900699359 /nfs/dbraw/zinc/69/93/59/900699359.db2.gz QSCVTTKRCNWGLC-QUCCMNQESA-N 2 1 399.560 3.836 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844355240 900755014 /nfs/dbraw/zinc/75/50/14/900755014.db2.gz MRJQBDDPWZNSSG-SLFFLAALSA-N 2 1 397.604 3.503 20 0 GHADMP COc1cc2cc[nH+]c(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)c2cc1F ZINC000574189877 900811354 /nfs/dbraw/zinc/81/13/54/900811354.db2.gz VMDZYSSQJYPJNU-LJQANCHMSA-N 2 1 395.478 3.951 20 0 GHADMP COc1cc2cc[nH+]c(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)c2cc1F ZINC000574189877 900811367 /nfs/dbraw/zinc/81/13/67/900811367.db2.gz VMDZYSSQJYPJNU-LJQANCHMSA-N 2 1 395.478 3.951 20 0 GHADMP CCc1noc([C@@H](C)[N@@H+](C)[C@@H]2CC[C@@H]([NH+](C)[C@@H](C)c3nc(CC)no3)CC2)n1 ZINC000886393867 900978931 /nfs/dbraw/zinc/97/89/31/900978931.db2.gz GHMHBEGZCQXISP-LDKKBFSKSA-N 2 1 390.532 3.574 20 0 GHADMP CCc1noc([C@@H](C)[NH+](C)[C@@H]2CC[C@@H]([N@H+](C)[C@@H](C)c3nc(CC)no3)CC2)n1 ZINC000886393867 900978946 /nfs/dbraw/zinc/97/89/46/900978946.db2.gz GHMHBEGZCQXISP-LDKKBFSKSA-N 2 1 390.532 3.574 20 0 GHADMP CCc1noc([C@@H](C)[NH+](C)[C@@H]2CC[C@@H]([N@@H+](C)[C@@H](C)c3nc(CC)no3)CC2)n1 ZINC000886393867 900978959 /nfs/dbraw/zinc/97/89/59/900978959.db2.gz GHMHBEGZCQXISP-LDKKBFSKSA-N 2 1 390.532 3.574 20 0 GHADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000575805143 901321573 /nfs/dbraw/zinc/32/15/73/901321573.db2.gz HWPQZCRUWZWCKK-UZLBHIALSA-N 2 1 387.549 3.537 20 0 GHADMP CC[NH+](CC)CCN1CC[NH+]([C@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171159742 901749366 /nfs/dbraw/zinc/74/93/66/901749366.db2.gz ZGBNDRWDMMOBRF-SFHVURJKSA-N 2 1 384.395 3.810 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001144330486 901783030 /nfs/dbraw/zinc/78/30/30/901783030.db2.gz FAWREJLAGFOACF-UHFFFAOYSA-N 2 1 387.549 3.741 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(OC(F)F)ccc2Br)C1 ZINC001202748504 901921308 /nfs/dbraw/zinc/92/13/08/901921308.db2.gz BIERAZUIKNVHHV-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C(CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[NH+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000576316513 901940392 /nfs/dbraw/zinc/94/03/92/901940392.db2.gz VPLUFYGZYRKEGD-MYGLTJDJSA-N 2 1 388.596 3.834 20 0 GHADMP C(CC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000576316513 901940396 /nfs/dbraw/zinc/94/03/96/901940396.db2.gz VPLUFYGZYRKEGD-MYGLTJDJSA-N 2 1 388.596 3.834 20 0 GHADMP C(CC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000576316513 901940405 /nfs/dbraw/zinc/94/04/05/901940405.db2.gz VPLUFYGZYRKEGD-MYGLTJDJSA-N 2 1 388.596 3.834 20 0 GHADMP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000576841644 902295325 /nfs/dbraw/zinc/29/53/25/902295325.db2.gz XJFSNPHFRDBPNN-RXRQOCSWSA-N 2 1 392.632 3.790 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cnn(Cc2ccccc2)c1 ZINC000290334291 914632561 /nfs/dbraw/zinc/63/25/61/914632561.db2.gz PAFDQIBEEIRHLC-IBGZPJMESA-N 2 1 393.535 3.508 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000600845660 902997095 /nfs/dbraw/zinc/99/70/95/902997095.db2.gz IOSHIFIAOMIBHC-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000600845660 902997102 /nfs/dbraw/zinc/99/71/02/902997102.db2.gz IOSHIFIAOMIBHC-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000600845660 902997108 /nfs/dbraw/zinc/99/71/08/902997108.db2.gz IOSHIFIAOMIBHC-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887613942 903148338 /nfs/dbraw/zinc/14/83/38/903148338.db2.gz ZBLABKUQQDAXIG-UHFFFAOYSA-N 2 1 380.536 3.585 20 0 GHADMP COc1cccc([C@H](O)C[N@H+](CCCc2c[nH+]cn2C)Cc2ccccc2)c1 ZINC000846819237 903238572 /nfs/dbraw/zinc/23/85/72/903238572.db2.gz XWJGTOJLCMUCFA-HSZRJFAPSA-N 2 1 379.504 3.597 20 0 GHADMP COc1cccc([C@H](O)C[N@@H+](CCCc2c[nH+]cn2C)Cc2ccccc2)c1 ZINC000846819237 903238583 /nfs/dbraw/zinc/23/85/83/903238583.db2.gz XWJGTOJLCMUCFA-HSZRJFAPSA-N 2 1 379.504 3.597 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1 ZINC001171254700 903252922 /nfs/dbraw/zinc/25/29/22/903252922.db2.gz GXTJSYNPRFMPQJ-LEKVTHMOSA-N 2 1 381.564 3.804 20 0 GHADMP Brc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482485 915294508 /nfs/dbraw/zinc/29/45/08/915294508.db2.gz JDHFNGKYNXTNAN-UHFFFAOYSA-N 2 1 388.147 3.928 20 0 GHADMP Brc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1Br ZINC000647482485 915294518 /nfs/dbraw/zinc/29/45/18/915294518.db2.gz JDHFNGKYNXTNAN-UHFFFAOYSA-N 2 1 388.147 3.928 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@@]3(CCC[N@H+](C[C@@H]4CCO[C@@H](C)C4)C3)C2)CCO1 ZINC000578003046 903436687 /nfs/dbraw/zinc/43/66/87/903436687.db2.gz VWJIRFGOUKUNAA-PFDCGNQRSA-N 2 1 378.601 3.795 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@]3(CCC[NH+](C[C@@H]4CCO[C@@H](C)C4)C3)C2)CCO1 ZINC000578003046 903436692 /nfs/dbraw/zinc/43/66/92/903436692.db2.gz VWJIRFGOUKUNAA-PFDCGNQRSA-N 2 1 378.601 3.795 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](C[C@@H]4CCO[C@@H](C)C4)C3)C2)CCO1 ZINC000578003046 903436695 /nfs/dbraw/zinc/43/66/95/903436695.db2.gz VWJIRFGOUKUNAA-PFDCGNQRSA-N 2 1 378.601 3.795 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000601236728 903494505 /nfs/dbraw/zinc/49/45/05/903494505.db2.gz STIWGHPMYNBPJF-UGKGYDQZSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC001146747951 903600323 /nfs/dbraw/zinc/60/03/23/903600323.db2.gz FSPXNLGRKAZNQR-URXFXBBRSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001146747951 903600333 /nfs/dbraw/zinc/60/03/33/903600333.db2.gz FSPXNLGRKAZNQR-URXFXBBRSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001146747951 903600344 /nfs/dbraw/zinc/60/03/44/903600344.db2.gz FSPXNLGRKAZNQR-URXFXBBRSA-N 2 1 393.575 3.578 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001146875932 903639280 /nfs/dbraw/zinc/63/92/80/903639280.db2.gz GIBVSEZMSLOIMI-FQEVSTJZSA-N 2 1 379.548 3.503 20 0 GHADMP c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000135874000 903738801 /nfs/dbraw/zinc/73/88/01/903738801.db2.gz YWVFMUIVSBNBAG-UHFFFAOYSA-N 2 1 378.545 3.755 20 0 GHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000578752937 904099859 /nfs/dbraw/zinc/09/98/59/904099859.db2.gz BTBBYQBHBXBMRT-AVRDEDQJSA-N 2 1 378.520 3.944 20 0 GHADMP CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000578752937 904099874 /nfs/dbraw/zinc/09/98/74/904099874.db2.gz BTBBYQBHBXBMRT-AVRDEDQJSA-N 2 1 378.520 3.944 20 0 GHADMP COc1ccccc1CC1([NH3+])CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171357887 904348010 /nfs/dbraw/zinc/34/80/10/904348010.db2.gz QPQLLBDPWCRSJB-IBGZPJMESA-N 2 1 386.486 3.867 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000773005378 904358573 /nfs/dbraw/zinc/35/85/73/904358573.db2.gz IWBMFMOTWYGBLJ-PGRDOPGGSA-N 2 1 381.520 3.908 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000773005378 904358579 /nfs/dbraw/zinc/35/85/79/904358579.db2.gz IWBMFMOTWYGBLJ-PGRDOPGGSA-N 2 1 381.520 3.908 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000773011912 904371524 /nfs/dbraw/zinc/37/15/24/904371524.db2.gz YVBZSBDVOUFAKL-OAQYLSRUSA-N 2 1 376.903 3.809 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc1 ZINC000773136921 904463939 /nfs/dbraw/zinc/46/39/39/904463939.db2.gz OCVRACRWKDDADZ-VAMGGRTRSA-N 2 1 380.598 3.802 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C2)C1 ZINC001171612423 904872128 /nfs/dbraw/zinc/87/21/28/904872128.db2.gz JHSHFHDTUNCMQG-SVMVAKDDSA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C2)C1 ZINC001171612423 904872140 /nfs/dbraw/zinc/87/21/40/904872140.db2.gz JHSHFHDTUNCMQG-SVMVAKDDSA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C2)C1 ZINC001171612423 904872154 /nfs/dbraw/zinc/87/21/54/904872154.db2.gz JHSHFHDTUNCMQG-SVMVAKDDSA-N 2 1 379.589 3.828 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C[C@@H]1C(C)(C)C ZINC001171614404 904878596 /nfs/dbraw/zinc/87/85/96/904878596.db2.gz BBQVZONMVAIUSZ-RTBURBONSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)C1)[C@@H]2C ZINC001171753052 904981964 /nfs/dbraw/zinc/98/19/64/904981964.db2.gz SPWYVEDFDVRFLW-KCZVDYSFSA-N 2 1 395.595 3.763 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)[C@@H]2C ZINC001171753052 904981975 /nfs/dbraw/zinc/98/19/75/904981975.db2.gz SPWYVEDFDVRFLW-KCZVDYSFSA-N 2 1 395.595 3.763 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)[C@@H]2C ZINC001171753052 904981981 /nfs/dbraw/zinc/98/19/81/904981981.db2.gz SPWYVEDFDVRFLW-KCZVDYSFSA-N 2 1 395.595 3.763 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171762688 904999093 /nfs/dbraw/zinc/99/90/93/904999093.db2.gz LHXHGGXOHQUSHQ-OCFYOKIWSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762688 904999104 /nfs/dbraw/zinc/99/91/04/904999104.db2.gz LHXHGGXOHQUSHQ-OCFYOKIWSA-N 2 1 375.560 3.713 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)c1ccccc1 ZINC001171791442 905048901 /nfs/dbraw/zinc/04/89/01/905048901.db2.gz KSWGZRKTWIGGLV-GGAORHGYSA-N 2 1 397.538 3.642 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F)c1ccccc1 ZINC001171791442 905048918 /nfs/dbraw/zinc/04/89/18/905048918.db2.gz KSWGZRKTWIGGLV-GGAORHGYSA-N 2 1 397.538 3.642 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171907604 905139261 /nfs/dbraw/zinc/13/92/61/905139261.db2.gz XQMSRGZIFSXIQM-OAQYLSRUSA-N 2 1 392.547 3.643 20 0 GHADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953465 905170946 /nfs/dbraw/zinc/17/09/46/905170946.db2.gz ZWBKTWCSIILYDJ-UHFFFAOYSA-N 2 1 375.538 3.788 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)C2CCC(C(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC001171933984 905187971 /nfs/dbraw/zinc/18/79/71/905187971.db2.gz RSRZRUXESNHGDJ-UHFFFAOYSA-N 2 1 388.556 3.552 20 0 GHADMP COC(=O)c1ccc(Br)cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000801555344 921126865 /nfs/dbraw/zinc/12/68/65/921126865.db2.gz LKEPIZUWFVKCLK-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP COC(=O)c1ccc(Br)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000801555344 921126873 /nfs/dbraw/zinc/12/68/73/921126873.db2.gz LKEPIZUWFVKCLK-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP CC1(C)C[C@@H](NC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977340 905222539 /nfs/dbraw/zinc/22/25/39/905222539.db2.gz AZYCSFDTEFLPJC-DEOSSOPVSA-N 2 1 399.623 3.910 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977193 905223239 /nfs/dbraw/zinc/22/32/39/905223239.db2.gz YDIZZGDZEGPMEL-QZTJIDSGSA-N 2 1 397.485 3.573 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2(c3cnccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977747 905226931 /nfs/dbraw/zinc/22/69/31/905226931.db2.gz DDHFBUISNJWXBK-OAQYLSRUSA-N 2 1 394.563 3.558 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3ccnn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001171980130 905228274 /nfs/dbraw/zinc/22/82/74/905228274.db2.gz SOVYHZVQTWSMRD-NRFANRHFSA-N 2 1 375.520 3.800 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979090 905228800 /nfs/dbraw/zinc/22/88/00/905228800.db2.gz LFVZSQGHDGDKNY-FKBYEOEOSA-N 2 1 383.580 3.857 20 0 GHADMP CC1(C)C[C@@H](N2CC[NH+](CCc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980738 905232921 /nfs/dbraw/zinc/23/29/21/905232921.db2.gz GNIFHPQEYSIZOP-DEOSSOPVSA-N 2 1 392.591 3.685 20 0 GHADMP Cc1nccnc1O[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986994 905246277 /nfs/dbraw/zinc/24/62/77/905246277.db2.gz OHGFYNVEZIIMDV-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986994 905246290 /nfs/dbraw/zinc/24/62/90/905246290.db2.gz OHGFYNVEZIIMDV-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986994 905246304 /nfs/dbraw/zinc/24/63/04/905246304.db2.gz OHGFYNVEZIIMDV-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986994 905246319 /nfs/dbraw/zinc/24/63/19/905246319.db2.gz OHGFYNVEZIIMDV-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987402 905247439 /nfs/dbraw/zinc/24/74/39/905247439.db2.gz UWVRNLRTFGHJCL-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987402 905247451 /nfs/dbraw/zinc/24/74/51/905247451.db2.gz UWVRNLRTFGHJCL-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987402 905247463 /nfs/dbraw/zinc/24/74/63/905247463.db2.gz UWVRNLRTFGHJCL-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987402 905247474 /nfs/dbraw/zinc/24/74/74/905247474.db2.gz UWVRNLRTFGHJCL-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987423 905247781 /nfs/dbraw/zinc/24/77/81/905247781.db2.gz VCWLDNVQNPVLES-PCCBWWKXSA-N 2 1 399.579 3.981 20 0 GHADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+]C3CC[NH+](C(C)C)CC3)ccc2c1 ZINC000174295839 905247981 /nfs/dbraw/zinc/24/79/81/905247981.db2.gz QXODDWURROOWOV-SFHVURJKSA-N 2 1 397.563 3.658 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987423 905247797 /nfs/dbraw/zinc/24/77/97/905247797.db2.gz VCWLDNVQNPVLES-PCCBWWKXSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171987423 905247815 /nfs/dbraw/zinc/24/78/15/905247815.db2.gz VCWLDNVQNPVLES-PCCBWWKXSA-N 2 1 399.579 3.981 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001172070665 905274195 /nfs/dbraw/zinc/27/41/95/905274195.db2.gz RFFRLDHWQBYPCF-MNBCMZHHSA-N 2 1 395.591 3.999 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@@H]2C)C1=O ZINC001172072615 905277150 /nfs/dbraw/zinc/27/71/50/905277150.db2.gz PSIFNSDPADZRHQ-PERMCUBVSA-N 2 1 395.591 3.762 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@@H]2C)C1=O ZINC001172072615 905277164 /nfs/dbraw/zinc/27/71/64/905277164.db2.gz PSIFNSDPADZRHQ-PERMCUBVSA-N 2 1 395.591 3.762 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@@H]2C)C1=O ZINC001172072615 905277178 /nfs/dbraw/zinc/27/71/78/905277178.db2.gz PSIFNSDPADZRHQ-PERMCUBVSA-N 2 1 395.591 3.762 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1 ZINC001172073135 905277319 /nfs/dbraw/zinc/27/73/19/905277319.db2.gz OHYHREWJUBERBJ-NUNAXRQHSA-N 2 1 392.547 3.983 20 0 GHADMP OC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076301 905286084 /nfs/dbraw/zinc/28/60/84/905286084.db2.gz HRWDQJJEPNLEDJ-XQUALCHDSA-N 2 1 382.523 3.904 20 0 GHADMP Cc1cc(N([C@H]2CC[NH2+]C2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC001172089892 905308402 /nfs/dbraw/zinc/30/84/02/905308402.db2.gz SQVWMNBMEBVSEI-GSPCLOLRSA-N 2 1 391.563 3.539 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098133 905319283 /nfs/dbraw/zinc/31/92/83/905319283.db2.gz AHFKZCKPNDXNCB-LTFPLMDUSA-N 2 1 379.589 3.875 20 0 GHADMP COc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172063291 905326719 /nfs/dbraw/zinc/32/67/19/905326719.db2.gz BRYJIXAJOWXEEF-JTOYRKQZSA-N 2 1 380.532 3.904 20 0 GHADMP COc1ccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172063291 905326731 /nfs/dbraw/zinc/32/67/31/905326731.db2.gz BRYJIXAJOWXEEF-JTOYRKQZSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cc(C)[nH]c(=O)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067026 905334090 /nfs/dbraw/zinc/33/40/90/905334090.db2.gz DPJBBONAAWQDSB-OWZKRDHZSA-N 2 1 381.520 3.780 20 0 GHADMP COc1cc(C)[nH]c(=O)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067026 905334105 /nfs/dbraw/zinc/33/41/05/905334105.db2.gz DPJBBONAAWQDSB-OWZKRDHZSA-N 2 1 381.520 3.780 20 0 GHADMP O=C(C1CCC1)N1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067635 905335451 /nfs/dbraw/zinc/33/54/51/905335451.db2.gz RCMVTGWAGSDXSH-JOZNFPNDSA-N 2 1 395.591 3.953 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172108772 905356838 /nfs/dbraw/zinc/35/68/38/905356838.db2.gz YZPWICWVRDQHCX-PIUSSYSBSA-N 2 1 377.573 3.769 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172114184 905362969 /nfs/dbraw/zinc/36/29/69/905362969.db2.gz BLQAUJHRTIVECD-ZBYYUNFXSA-N 2 1 394.563 3.680 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172114184 905362985 /nfs/dbraw/zinc/36/29/85/905362985.db2.gz BLQAUJHRTIVECD-ZBYYUNFXSA-N 2 1 394.563 3.680 20 0 GHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172114184 905363004 /nfs/dbraw/zinc/36/30/04/905363004.db2.gz BLQAUJHRTIVECD-ZBYYUNFXSA-N 2 1 394.563 3.680 20 0 GHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172114184 905363020 /nfs/dbraw/zinc/36/30/20/905363020.db2.gz BLQAUJHRTIVECD-ZBYYUNFXSA-N 2 1 394.563 3.680 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001172113295 905364035 /nfs/dbraw/zinc/36/40/35/905364035.db2.gz IEQYRSBLINDIGV-ACDBMABISA-N 2 1 381.486 3.838 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001172113295 905364054 /nfs/dbraw/zinc/36/40/54/905364054.db2.gz IEQYRSBLINDIGV-ACDBMABISA-N 2 1 381.486 3.838 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CCO3)c1 ZINC001172116439 905365551 /nfs/dbraw/zinc/36/55/51/905365551.db2.gz FEPIWIYCHUTSSA-SCDRESIJSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CCO3)c1 ZINC001172116439 905365567 /nfs/dbraw/zinc/36/55/67/905365567.db2.gz FEPIWIYCHUTSSA-SCDRESIJSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001172116439 905365585 /nfs/dbraw/zinc/36/55/85/905365585.db2.gz FEPIWIYCHUTSSA-SCDRESIJSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001172116439 905365599 /nfs/dbraw/zinc/36/55/99/905365599.db2.gz FEPIWIYCHUTSSA-SCDRESIJSA-N 2 1 383.580 3.682 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccc(Br)cc3)C1)C2 ZINC001172116040 905367367 /nfs/dbraw/zinc/36/73/67/905367367.db2.gz XIWBNIDPNSSUSJ-LWYYNNOASA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccc(Br)cc3)C1)C2 ZINC001172116040 905367383 /nfs/dbraw/zinc/36/73/83/905367383.db2.gz XIWBNIDPNSSUSJ-LWYYNNOASA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C1)CCN(C(=O)c1ccsc1)CC3)C2 ZINC001172116791 905370446 /nfs/dbraw/zinc/37/04/46/905370446.db2.gz GMNPLZMJVSXQBP-ACDBMABISA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC3(C1)CCN(C(=O)c1ccsc1)CC3)C2 ZINC001172116791 905370460 /nfs/dbraw/zinc/37/04/60/905370460.db2.gz GMNPLZMJVSXQBP-ACDBMABISA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC3(C1)CCN(C(=O)c1ccsc1)CC3)C2 ZINC001172116791 905370477 /nfs/dbraw/zinc/37/04/77/905370477.db2.gz GMNPLZMJVSXQBP-ACDBMABISA-N 2 1 387.593 3.692 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121105 905379500 /nfs/dbraw/zinc/37/95/00/905379500.db2.gz OSSDPDDZHRWQCV-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121105 905379517 /nfs/dbraw/zinc/37/95/17/905379517.db2.gz OSSDPDDZHRWQCV-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121105 905379530 /nfs/dbraw/zinc/37/95/30/905379530.db2.gz OSSDPDDZHRWQCV-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP CNC(=O)C[C@@H]1CC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001172121761 905381001 /nfs/dbraw/zinc/38/10/01/905381001.db2.gz MFUOANIPKJBRPC-CGXNFDGLSA-N 2 1 395.591 3.659 20 0 GHADMP COCCCN1CCC([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001172254034 905447598 /nfs/dbraw/zinc/44/75/98/905447598.db2.gz HIVPAMQJJCTQAT-UHFFFAOYSA-N 2 1 399.623 3.866 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001172254034 905447608 /nfs/dbraw/zinc/44/76/08/905447608.db2.gz HIVPAMQJJCTQAT-UHFFFAOYSA-N 3 1 399.623 3.866 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001172254034 905447618 /nfs/dbraw/zinc/44/76/18/905447618.db2.gz HIVPAMQJJCTQAT-UHFFFAOYSA-N 3 1 399.623 3.866 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC(Cc3cnc4ccccc4c3)CC2)CC1 ZINC001172257213 905451352 /nfs/dbraw/zinc/45/13/52/905451352.db2.gz LMVQPZOZRHRLLW-UHFFFAOYSA-N 2 1 381.564 3.990 20 0 GHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172574259 905634604 /nfs/dbraw/zinc/63/46/04/905634604.db2.gz OGQMLCBIQAPPME-PNHOKKKMSA-N 2 1 385.930 3.650 20 0 GHADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172542122 905645424 /nfs/dbraw/zinc/64/54/24/905645424.db2.gz SUWXRXPXRZISEL-DHIUTWEWSA-N 2 1 393.575 3.537 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640163 905701921 /nfs/dbraw/zinc/70/19/21/905701921.db2.gz GUXNAFBBKBXQHZ-WCIQWLHISA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640163 905701931 /nfs/dbraw/zinc/70/19/31/905701931.db2.gz GUXNAFBBKBXQHZ-WCIQWLHISA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172640163 905701944 /nfs/dbraw/zinc/70/19/44/905701944.db2.gz GUXNAFBBKBXQHZ-WCIQWLHISA-N 2 1 379.589 3.828 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172763448 905806155 /nfs/dbraw/zinc/80/61/55/905806155.db2.gz JHWJNHRTWHHEJX-BLKABHOGSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172763448 905806166 /nfs/dbraw/zinc/80/61/66/905806166.db2.gz JHWJNHRTWHHEJX-BLKABHOGSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172763448 905806176 /nfs/dbraw/zinc/80/61/76/905806176.db2.gz JHWJNHRTWHHEJX-BLKABHOGSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172763448 905806196 /nfs/dbraw/zinc/80/61/96/905806196.db2.gz JHWJNHRTWHHEJX-BLKABHOGSA-N 2 1 387.568 3.734 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001172785575 905828571 /nfs/dbraw/zinc/82/85/71/905828571.db2.gz CYSCLGDKOAQARL-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001172785575 905828587 /nfs/dbraw/zinc/82/85/87/905828587.db2.gz CYSCLGDKOAQARL-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001172785575 905828598 /nfs/dbraw/zinc/82/85/98/905828598.db2.gz CYSCLGDKOAQARL-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001172785575 905828608 /nfs/dbraw/zinc/82/86/08/905828608.db2.gz CYSCLGDKOAQARL-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP CC(C)(C)OC(=O)CN1CCC([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172890364 905976940 /nfs/dbraw/zinc/97/69/40/905976940.db2.gz RVHDLXWKCFGFRR-MXVIHJGJSA-N 2 1 393.616 3.555 20 0 GHADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000628158017 905986881 /nfs/dbraw/zinc/98/68/81/905986881.db2.gz CKRKNUVXOCDCAI-OAQYLSRUSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000628158017 905986890 /nfs/dbraw/zinc/98/68/90/905986890.db2.gz CKRKNUVXOCDCAI-OAQYLSRUSA-N 2 1 389.971 3.543 20 0 GHADMP COc1ccc(C2([NH3+])CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001172957523 906063353 /nfs/dbraw/zinc/06/33/53/906063353.db2.gz UFOHJGVSTPSLKW-QGZVFWFLSA-N 2 1 391.556 3.591 20 0 GHADMP [NH3+]CCCC[C@H]([NH2+]C1CCC2(CCOCC2)CC1)C(=O)OCc1ccccc1 ZINC001173042348 906112273 /nfs/dbraw/zinc/11/22/73/906112273.db2.gz OJBJEQYDGWFGHF-NRFANRHFSA-N 2 1 388.552 3.556 20 0 GHADMP C(C1CC1)[NH+]1CCN([C@@H]2CC[C@@H]([NH2+]C3CCC4(CCOCC4)CC3)CC2)CC1 ZINC001173041611 906112346 /nfs/dbraw/zinc/11/23/46/906112346.db2.gz GYXRTCPFHXXARL-AFARHQOCSA-N 2 1 389.628 3.654 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1 ZINC000628424902 906122122 /nfs/dbraw/zinc/12/21/22/906122122.db2.gz VLTWBSXYTYPNSG-XMMPIXPASA-N 2 1 394.515 3.627 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001173062633 906141282 /nfs/dbraw/zinc/14/12/82/906141282.db2.gz VFAIBTYZEMDOKY-LPHOPBHVSA-N 2 1 391.531 3.864 20 0 GHADMP CCCOC1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CC1 ZINC001173097820 906154219 /nfs/dbraw/zinc/15/42/19/906154219.db2.gz ITCBDORTVUYYOO-UHFFFAOYSA-N 2 1 376.541 3.684 20 0 GHADMP CCCOC1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CC1 ZINC001173097820 906154232 /nfs/dbraw/zinc/15/42/32/906154232.db2.gz ITCBDORTVUYYOO-UHFFFAOYSA-N 2 1 376.541 3.684 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001173078988 906177238 /nfs/dbraw/zinc/17/72/38/906177238.db2.gz HYVXYSSAPMMPFG-CQSZACIVSA-N 2 1 385.430 3.646 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3onc(COc4cccnc4)c3C2)CC1 ZINC001173111479 906199166 /nfs/dbraw/zinc/19/91/66/906199166.db2.gz FXTIJMPLMKECPV-UHFFFAOYSA-N 2 1 384.524 3.660 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)CC1 ZINC001173111526 906199273 /nfs/dbraw/zinc/19/92/73/906199273.db2.gz ZEMWSESORQJBNP-XPJNUEMQSA-N 2 1 387.543 3.908 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3onc(COc4ccccn4)c3C2)CC1 ZINC001173112716 906200715 /nfs/dbraw/zinc/20/07/15/906200715.db2.gz ZZKAFNXQZHRUBT-UHFFFAOYSA-N 2 1 384.524 3.660 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1 ZINC001173113125 906200851 /nfs/dbraw/zinc/20/08/51/906200851.db2.gz HOIWTWPHZIOXNL-QNGMFEMESA-N 2 1 375.532 3.673 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)CC1 ZINC001173113877 906202813 /nfs/dbraw/zinc/20/28/13/906202813.db2.gz NQEVDMDSQADXEY-AHTIFJERSA-N 2 1 379.589 3.875 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]C3CCC(Oc4ccccc4)CC3)c2)CC1 ZINC001173198064 906283634 /nfs/dbraw/zinc/28/36/34/906283634.db2.gz NMAIFIHLBKBWPZ-UHFFFAOYSA-N 2 1 393.575 3.914 20 0 GHADMP CCC[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173387548 906415728 /nfs/dbraw/zinc/41/57/28/906415728.db2.gz XXLISETUWHDQOH-FGTMMUONSA-N 2 1 398.588 3.516 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)CC2 ZINC001173612731 906540354 /nfs/dbraw/zinc/54/03/54/906540354.db2.gz RLORRUANAUCINC-KLOMGHIOSA-N 2 1 392.584 3.510 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662262 906600367 /nfs/dbraw/zinc/60/03/67/906600367.db2.gz WQHVPQJXIZAXAM-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662262 906600375 /nfs/dbraw/zinc/60/03/75/906600375.db2.gz WQHVPQJXIZAXAM-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP FC(F)(F)CN1CCC([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173673069 906608836 /nfs/dbraw/zinc/60/88/36/906608836.db2.gz HHPOGTBNWJAMDX-FQEVSTJZSA-N 2 1 381.486 3.611 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173673069 906608845 /nfs/dbraw/zinc/60/88/45/906608845.db2.gz HHPOGTBNWJAMDX-FQEVSTJZSA-N 2 1 381.486 3.611 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173673069 906608856 /nfs/dbraw/zinc/60/88/56/906608856.db2.gz HHPOGTBNWJAMDX-FQEVSTJZSA-N 2 1 381.486 3.611 20 0 GHADMP c1nnn([C@H]2CCC[C@H]([N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)C2)n1 ZINC001173769002 906688351 /nfs/dbraw/zinc/68/83/51/906688351.db2.gz NSUFULDUJQGABR-VXKWHMMOSA-N 2 1 394.567 3.535 20 0 GHADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1C(F)(F)F ZINC000629519780 906852303 /nfs/dbraw/zinc/85/23/03/906852303.db2.gz HJGJCKJYGLXJHK-JTQLQIEISA-N 2 1 381.236 3.626 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629561306 906869392 /nfs/dbraw/zinc/86/93/92/906869392.db2.gz IGBCSCWJQGIAEN-WFASDCNBSA-N 2 1 384.364 3.933 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629561306 906869402 /nfs/dbraw/zinc/86/94/02/906869402.db2.gz IGBCSCWJQGIAEN-WFASDCNBSA-N 2 1 384.364 3.933 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000180986665 906889640 /nfs/dbraw/zinc/88/96/40/906889640.db2.gz PPCMVJMTZIFUFX-QGZVFWFLSA-N 2 1 396.503 3.982 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000180986665 906889681 /nfs/dbraw/zinc/88/96/81/906889681.db2.gz PPCMVJMTZIFUFX-QGZVFWFLSA-N 2 1 396.503 3.982 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](Cn2cc(-c3ccc(C[NH+]4CCCCC4)cc3)cn2)C1 ZINC000629697038 906967412 /nfs/dbraw/zinc/96/74/12/906967412.db2.gz RWZSFWPBYTZNBD-QHCPKHFHSA-N 2 1 382.552 3.645 20 0 GHADMP CN1CC[NH+](CCOc2ccc(-c3cccc(C4(C)CC[NH2+]CC4)c3)cc2)CC1 ZINC000629706389 906973813 /nfs/dbraw/zinc/97/38/13/906973813.db2.gz XPCBQIDWWBUWBU-UHFFFAOYSA-N 2 1 393.575 3.621 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OCC ZINC000182264907 907173366 /nfs/dbraw/zinc/17/33/66/907173366.db2.gz GRACMTHQUPMOAL-AVRDEDQJSA-N 2 1 398.547 3.901 20 0 GHADMP C[N@H+]1CCC=C(Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC001175576654 907642519 /nfs/dbraw/zinc/64/25/19/907642519.db2.gz OIJUDBPQXYLHLL-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP C[N@@H+]1CCC=C(Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC001175576654 907642525 /nfs/dbraw/zinc/64/25/25/907642525.db2.gz OIJUDBPQXYLHLL-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP C[N@H+]1CCC=C(Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC001175576654 907642534 /nfs/dbraw/zinc/64/25/34/907642534.db2.gz OIJUDBPQXYLHLL-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1 ZINC000631722935 907824598 /nfs/dbraw/zinc/82/45/98/907824598.db2.gz LCFXIIYBDUDJRC-QGZVFWFLSA-N 2 1 393.560 3.980 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC3CCC([NH+]4CCCCC4)CC3)CC2)[nH+]c1 ZINC000079698933 908040787 /nfs/dbraw/zinc/04/07/87/908040787.db2.gz CYNDEIPLZJVABP-UHFFFAOYSA-N 2 1 384.568 3.520 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)oc1C ZINC000188001367 908165313 /nfs/dbraw/zinc/16/53/13/908165313.db2.gz IXBILXLGLOXALK-OAQYLSRUSA-N 2 1 397.498 3.745 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000191510145 908636053 /nfs/dbraw/zinc/63/60/53/908636053.db2.gz OXHOPGMXJRNDQN-LJQANCHMSA-N 2 1 397.567 3.785 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000191510145 908636055 /nfs/dbraw/zinc/63/60/55/908636055.db2.gz OXHOPGMXJRNDQN-LJQANCHMSA-N 2 1 397.567 3.785 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001177669072 908688611 /nfs/dbraw/zinc/68/86/11/908688611.db2.gz PBBBAONPPVMOSH-OAQYLSRUSA-N 2 1 392.522 3.974 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001177669072 908688622 /nfs/dbraw/zinc/68/86/22/908688622.db2.gz PBBBAONPPVMOSH-OAQYLSRUSA-N 2 1 392.522 3.974 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C4CCC4)CC3)CC2)CC1 ZINC000634524158 908747314 /nfs/dbraw/zinc/74/73/14/908747314.db2.gz UREVRQVJWMXRGY-FQEVSTJZSA-N 2 1 375.601 3.612 20 0 GHADMP [NH3+]C1(Cc2nc(-c3ccccc3Cl)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634553684 908763121 /nfs/dbraw/zinc/76/31/21/908763121.db2.gz DOSKTYJQSUUFML-UHFFFAOYSA-N 2 1 382.895 3.926 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccco4)s3)c2)CCO1 ZINC000193043282 908846495 /nfs/dbraw/zinc/84/64/95/908846495.db2.gz AVJLGCUKQMEOLU-MRXNPFEDSA-N 2 1 383.517 3.914 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccco4)s3)c2)CCO1 ZINC000193043282 908846504 /nfs/dbraw/zinc/84/65/04/908846504.db2.gz AVJLGCUKQMEOLU-MRXNPFEDSA-N 2 1 383.517 3.914 20 0 GHADMP c1cc(C[NH+]2CCC3(C2)CCOCC3)cc(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000266646908 909244876 /nfs/dbraw/zinc/24/48/76/909244876.db2.gz WRIXFRKOQKDNEN-UHFFFAOYSA-N 2 1 384.564 3.692 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000267345024 909458983 /nfs/dbraw/zinc/45/89/83/909458983.db2.gz CCMAXRQJVRVZAD-XXBNENTESA-N 2 1 388.515 3.572 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269064669 910124321 /nfs/dbraw/zinc/12/43/21/910124321.db2.gz KYLJTQOBXRAGSZ-CQSZACIVSA-N 2 1 386.508 3.741 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638368896 910133916 /nfs/dbraw/zinc/13/39/16/910133916.db2.gz ZNVZOBZWDDWJHD-INIZCTEOSA-N 2 1 375.463 3.908 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638747161 910223871 /nfs/dbraw/zinc/22/38/71/910223871.db2.gz BKBWYJSRHNOFGA-VLYJIQRVSA-N 2 1 397.607 3.712 20 0 GHADMP [NH3+][C@H](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000638881081 910262310 /nfs/dbraw/zinc/26/23/10/910262310.db2.gz NISMSVHYHKMBEF-LEWJYISDSA-N 2 1 394.563 3.570 20 0 GHADMP CS(=O)(=O)CC1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639213675 910352986 /nfs/dbraw/zinc/35/29/86/910352986.db2.gz KOYXHTVEYMBMEN-QOLBBYBCSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)CC1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639213675 910352992 /nfs/dbraw/zinc/35/29/92/910352992.db2.gz KOYXHTVEYMBMEN-QOLBBYBCSA-N 2 1 390.593 3.548 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639313446 910383892 /nfs/dbraw/zinc/38/38/92/910383892.db2.gz UEMMKSHMIOZGFP-AAIMPIBUSA-N 2 1 377.532 3.720 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639313446 910383913 /nfs/dbraw/zinc/38/39/13/910383913.db2.gz UEMMKSHMIOZGFP-AAIMPIBUSA-N 2 1 377.532 3.720 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000246719031 910531627 /nfs/dbraw/zinc/53/16/27/910531627.db2.gz LOSXGCGTQOFFBD-VQTJNVASSA-N 2 1 379.589 3.687 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682213 910611799 /nfs/dbraw/zinc/61/17/99/910611799.db2.gz NERLAVXOPHIUCV-GOSISDBHSA-N 2 1 380.536 3.746 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682213 910611810 /nfs/dbraw/zinc/61/18/10/910611810.db2.gz NERLAVXOPHIUCV-GOSISDBHSA-N 2 1 380.536 3.746 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c2c1OC(F)(F)O2 ZINC001181526378 910819318 /nfs/dbraw/zinc/81/93/18/910819318.db2.gz XOHATIWJFBNSPK-HOTGVXAUSA-N 2 1 396.478 3.708 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001181977174 911105964 /nfs/dbraw/zinc/10/59/64/911105964.db2.gz KSYCXBBBAXQMAP-KRWDZBQOSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c2C[NH+](C)C[C@H]3c2ccccc2)C1 ZINC001181983725 911109211 /nfs/dbraw/zinc/10/92/11/911109211.db2.gz LXOBYWWSFMUCRH-FPOVZHCZSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[NH+]1CC[C@H](C(=O)Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)C1 ZINC001181983725 911109220 /nfs/dbraw/zinc/10/92/20/911109220.db2.gz LXOBYWWSFMUCRH-FPOVZHCZSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[NH+]1CC[C@H](C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)C1 ZINC001181983725 911109227 /nfs/dbraw/zinc/10/92/27/911109227.db2.gz LXOBYWWSFMUCRH-FPOVZHCZSA-N 2 1 377.532 3.933 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CC1)C2)c1ccccc1 ZINC001182236584 911299053 /nfs/dbraw/zinc/29/90/53/911299053.db2.gz XWBUTRCYPSNIQE-QFIPXVFZSA-N 2 1 383.580 3.794 20 0 GHADMP CCCC[NH+](CC)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2)c1ccccc1 ZINC001182236584 911299061 /nfs/dbraw/zinc/29/90/61/911299061.db2.gz XWBUTRCYPSNIQE-QFIPXVFZSA-N 2 1 383.580 3.794 20 0 GHADMP CCCC[NH+](CC)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2)c1ccccc1 ZINC001182236584 911299064 /nfs/dbraw/zinc/29/90/64/911299064.db2.gz XWBUTRCYPSNIQE-QFIPXVFZSA-N 2 1 383.580 3.794 20 0 GHADMP CN(CC[N@@H+](C)Cc1cccc(SC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000781337681 911391655 /nfs/dbraw/zinc/39/16/55/911391655.db2.gz JCQZIEZSNNCSNW-UHFFFAOYSA-N 2 1 375.504 3.756 20 0 GHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000642056637 911702476 /nfs/dbraw/zinc/70/24/76/911702476.db2.gz LOIGUFSRVCPYTO-HXUWFJFHSA-N 2 1 391.559 3.849 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248126650 911726089 /nfs/dbraw/zinc/72/60/89/911726089.db2.gz NZCFPQSTCNZSKW-DCCYDQLOSA-N 2 1 397.604 3.549 20 0 GHADMP CC(C)(C)[C@]1(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182533286 911858391 /nfs/dbraw/zinc/85/83/91/911858391.db2.gz MTNYXCUIMMXAHK-ZEQRLZLVSA-N 2 1 388.596 3.692 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[C@@H]1c1ccccc1 ZINC001182609574 911923835 /nfs/dbraw/zinc/92/38/35/911923835.db2.gz UGXPBDTWGJLNHY-PUHATCMVSA-N 2 1 383.580 3.794 20 0 GHADMP CC(C)[NH+]1CC(NC(=O)C[C@H]2C[N@H+](C(c3ccccc3)c3ccccc3)[C@H]2C)C1 ZINC001186949910 914913251 /nfs/dbraw/zinc/91/32/51/914913251.db2.gz VMMQIEKUDJDJSJ-UGKGYDQZSA-N 2 1 391.559 3.695 20 0 GHADMP CC(C)[NH+]1CC(NC(=O)C[C@H]2C[N@@H+](C(c3ccccc3)c3ccccc3)[C@H]2C)C1 ZINC001186949910 914913258 /nfs/dbraw/zinc/91/32/58/914913258.db2.gz VMMQIEKUDJDJSJ-UGKGYDQZSA-N 2 1 391.559 3.695 20 0 GHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000291182118 915024330 /nfs/dbraw/zinc/02/43/30/915024330.db2.gz KSFPLQXJAXGUES-INIZCTEOSA-N 2 1 376.545 3.627 20 0 GHADMP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647198147 915081276 /nfs/dbraw/zinc/08/12/76/915081276.db2.gz HPKSWHARUXQJCZ-RTWAWAEBSA-N 2 1 378.516 3.786 20 0 GHADMP COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647198147 915081296 /nfs/dbraw/zinc/08/12/96/915081296.db2.gz HPKSWHARUXQJCZ-RTWAWAEBSA-N 2 1 378.516 3.786 20 0 GHADMP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)NCc1cccs1 ZINC000647334683 915157644 /nfs/dbraw/zinc/15/76/44/915157644.db2.gz PRYNZMKFVVSBOB-FOIQADDNSA-N 2 1 382.533 3.988 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000647343962 915165495 /nfs/dbraw/zinc/16/54/95/915165495.db2.gz GQOPYOCIPBGCAM-LLBVYWAGSA-N 2 1 392.547 3.967 20 0 GHADMP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000647482615 915296568 /nfs/dbraw/zinc/29/65/68/915296568.db2.gz TXRIXZOPCFORTQ-UHFFFAOYSA-N 2 1 396.531 3.999 20 0 GHADMP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000647482615 915296579 /nfs/dbraw/zinc/29/65/79/915296579.db2.gz TXRIXZOPCFORTQ-UHFFFAOYSA-N 2 1 396.531 3.999 20 0 GHADMP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543779 915320550 /nfs/dbraw/zinc/32/05/50/915320550.db2.gz RVAAHJYFPRUHDL-IRXDYDNUSA-N 2 1 385.533 3.750 20 0 GHADMP C[N@@H+]1[C@@H](C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187636333 915404753 /nfs/dbraw/zinc/40/47/53/915404753.db2.gz FTARMHXUOUJEKG-LJFZDNNRSA-N 2 1 399.579 3.598 20 0 GHADMP C[N@H+]1[C@@H](C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187636333 915404756 /nfs/dbraw/zinc/40/47/56/915404756.db2.gz FTARMHXUOUJEKG-LJFZDNNRSA-N 2 1 399.579 3.598 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978492 915461926 /nfs/dbraw/zinc/46/19/26/915461926.db2.gz STFGMYYICDVMHI-BHIYHBOVSA-N 2 1 377.960 3.571 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C[C@H]3CCOC3)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000292206077 915559376 /nfs/dbraw/zinc/55/93/76/915559376.db2.gz PUPDFKPPSFJQGN-XMSQKQJNSA-N 2 1 398.526 3.959 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000648863723 915914309 /nfs/dbraw/zinc/91/43/09/915914309.db2.gz UHEFGJVNLNTCPT-WMLDXEAASA-N 2 1 396.457 3.835 20 0 GHADMP CCCN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000648996896 915976040 /nfs/dbraw/zinc/97/60/40/915976040.db2.gz DDKWNNUROCBEJQ-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CCCN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H]1CC[NH+](C)C1 ZINC000648996896 915976050 /nfs/dbraw/zinc/97/60/50/915976050.db2.gz DDKWNNUROCBEJQ-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CCCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H]1CC[NH+](C)C1 ZINC000648996896 915976058 /nfs/dbraw/zinc/97/60/58/915976058.db2.gz DDKWNNUROCBEJQ-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000649330057 916102192 /nfs/dbraw/zinc/10/21/92/916102192.db2.gz UAONDLSEMRSYSU-HBGVWJBISA-N 2 1 385.939 3.851 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293407291 916184441 /nfs/dbraw/zinc/18/44/41/916184441.db2.gz MYTIJBLOXWORDY-LJQANCHMSA-N 2 1 379.548 3.746 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000650417992 916971445 /nfs/dbraw/zinc/97/14/45/916971445.db2.gz LTZQVFJBVGYTSD-RBUKOAKNSA-N 2 1 388.581 3.623 20 0 GHADMP Brc1ccccc1CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000362276631 917182733 /nfs/dbraw/zinc/18/27/33/917182733.db2.gz HTVLYERFUOQTRE-RTBURBONSA-N 2 1 392.385 3.630 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000295260290 917234532 /nfs/dbraw/zinc/23/45/32/917234532.db2.gz GWTMSQXBTNINTN-DGQTTZFYSA-N 2 1 378.532 3.824 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000295260290 917234538 /nfs/dbraw/zinc/23/45/38/917234538.db2.gz GWTMSQXBTNINTN-DGQTTZFYSA-N 2 1 378.532 3.824 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000295260290 917234544 /nfs/dbraw/zinc/23/45/44/917234544.db2.gz GWTMSQXBTNINTN-DGQTTZFYSA-N 2 1 378.532 3.824 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705549 917242393 /nfs/dbraw/zinc/24/23/93/917242393.db2.gz LCSILVHJHRYOMM-YQVWRLOYSA-N 2 1 396.959 3.856 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000650709568 917245162 /nfs/dbraw/zinc/24/51/62/917245162.db2.gz FWZQXUSBSMAYMZ-RDPSFJRHSA-N 2 1 396.531 3.844 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000650709568 917245185 /nfs/dbraw/zinc/24/51/85/917245185.db2.gz FWZQXUSBSMAYMZ-RDPSFJRHSA-N 2 1 396.531 3.844 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650708085 917245751 /nfs/dbraw/zinc/24/57/51/917245751.db2.gz SWUBKFBXMUEOJR-VWPQPMDRSA-N 2 1 380.536 3.568 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000650722537 917248955 /nfs/dbraw/zinc/24/89/55/917248955.db2.gz WCGQESCSWQWGCB-PUHATCMVSA-N 2 1 381.520 3.521 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775387642 917347321 /nfs/dbraw/zinc/34/73/21/917347321.db2.gz ZWFRUKXYBSSUDA-YJBOKZPZSA-N 2 1 397.535 3.556 20 0 GHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362702422 917375302 /nfs/dbraw/zinc/37/53/02/917375302.db2.gz MTLRCKSTYIYRJG-GPMSIDNRSA-N 2 1 385.474 3.604 20 0 GHADMP FC(F)(F)c1cccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000362759613 917401840 /nfs/dbraw/zinc/40/18/40/917401840.db2.gz PIRXRYXEOVXFHS-PMACEKPBSA-N 2 1 381.486 3.886 20 0 GHADMP C[N@@H+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796462958 917536397 /nfs/dbraw/zinc/53/63/97/917536397.db2.gz ZIPPMXKRZCUQSU-CBQGHPETSA-N 2 1 385.552 3.592 20 0 GHADMP C[NH+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796462958 917536406 /nfs/dbraw/zinc/53/64/06/917536406.db2.gz ZIPPMXKRZCUQSU-CBQGHPETSA-N 2 1 385.552 3.592 20 0 GHADMP C[NH+](CC1CCN(C(=O)OCc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796462958 917536416 /nfs/dbraw/zinc/53/64/16/917536416.db2.gz ZIPPMXKRZCUQSU-CBQGHPETSA-N 2 1 385.552 3.592 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccccn2)cc1 ZINC000652140996 917812263 /nfs/dbraw/zinc/81/22/63/917812263.db2.gz BUQFMLOGSISNQW-DEOSSOPVSA-N 2 1 391.515 3.910 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000652360648 917881171 /nfs/dbraw/zinc/88/11/71/917881171.db2.gz NMDPJQKQWQZVTJ-PTUXOGIPSA-N 2 1 393.531 3.653 20 0 GHADMP Cc1cc(NC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccn3)CC2)cn2cc[nH+]c12 ZINC000297040937 918999101 /nfs/dbraw/zinc/99/91/01/918999101.db2.gz RRVWAUIWZVGYCR-HXUWFJFHSA-N 2 1 392.507 3.556 20 0 GHADMP Cc1cc(NC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccn3)CC2)cn2cc[nH+]c12 ZINC000297040937 918999117 /nfs/dbraw/zinc/99/91/17/918999117.db2.gz RRVWAUIWZVGYCR-HXUWFJFHSA-N 2 1 392.507 3.556 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001275869736 919043498 /nfs/dbraw/zinc/04/34/98/919043498.db2.gz WRHVFLWFQJXNMZ-QPPBQGQZSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001275869736 919043510 /nfs/dbraw/zinc/04/35/10/919043510.db2.gz WRHVFLWFQJXNMZ-QPPBQGQZSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001275869736 919043521 /nfs/dbraw/zinc/04/35/21/919043521.db2.gz WRHVFLWFQJXNMZ-QPPBQGQZSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001275869736 919043529 /nfs/dbraw/zinc/04/35/29/919043529.db2.gz WRHVFLWFQJXNMZ-QPPBQGQZSA-N 2 1 391.559 3.632 20 0 GHADMP COC[C@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](COC)C3)ccc2F)C1 ZINC000297409719 919302803 /nfs/dbraw/zinc/30/28/03/919302803.db2.gz GHBLMTCWZOFFOI-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000297409719 919302807 /nfs/dbraw/zinc/30/28/07/919302807.db2.gz GHBLMTCWZOFFOI-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000297409719 919302822 /nfs/dbraw/zinc/30/28/22/919302822.db2.gz GHBLMTCWZOFFOI-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000297412713 919304655 /nfs/dbraw/zinc/30/46/55/919304655.db2.gz LOWHZQPNEDMQJV-UHFFFAOYSA-N 2 1 399.564 3.597 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1 ZINC000365410255 920752943 /nfs/dbraw/zinc/75/29/43/920752943.db2.gz OCOQBCNOUPOLAY-SFHVURJKSA-N 2 1 390.535 3.541 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902405316 922167313 /nfs/dbraw/zinc/16/73/13/922167313.db2.gz MBSDKGJTGYHXMN-OAHLLOKOSA-N 2 1 376.373 3.677 20 0 GHADMP COc1ccc([C@@H](C)[NH2+][C@@H](c2nncn2C)C(C)C)cc1C[NH+]1CCCCC1 ZINC000903064521 922740256 /nfs/dbraw/zinc/74/02/56/922740256.db2.gz NGWCYYKAKLPWAF-DYESRHJHSA-N 2 1 385.556 3.858 20 0 GHADMP Fc1ccccc1[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000903097168 922768812 /nfs/dbraw/zinc/76/88/12/922768812.db2.gz PTESDQIPRILFPT-KNQAVFIVSA-N 2 1 376.516 3.526 20 0 GHADMP COc1cccc([C@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)CC[N@H+]2C2CC2)c1 ZINC000903146210 922806892 /nfs/dbraw/zinc/80/68/92/922806892.db2.gz DUEDAAFUINEHIX-DKCCDPRCSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC[NH+]2C2CC2)c1 ZINC000903146210 922806899 /nfs/dbraw/zinc/80/68/99/922806899.db2.gz DUEDAAFUINEHIX-DKCCDPRCSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC[NH+]2C2CC2)c1 ZINC000903146210 922806915 /nfs/dbraw/zinc/80/69/15/922806915.db2.gz DUEDAAFUINEHIX-DKCCDPRCSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@H]2[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146210 922806921 /nfs/dbraw/zinc/80/69/21/922806921.db2.gz DUEDAAFUINEHIX-DKCCDPRCSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@H]2[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146210 922806927 /nfs/dbraw/zinc/80/69/27/922806927.db2.gz DUEDAAFUINEHIX-DKCCDPRCSA-N 2 1 381.564 3.720 20 0 GHADMP O=c1[nH]cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2ccccc12 ZINC000903230648 922869917 /nfs/dbraw/zinc/86/99/17/922869917.db2.gz CIIDJMCBVYNSOC-UHFFFAOYSA-N 2 1 379.479 3.876 20 0 GHADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755542 923258319 /nfs/dbraw/zinc/25/83/19/923258319.db2.gz IVUUDMUKVBLDKF-UONOGXRCSA-N 2 1 389.487 3.500 20 0 GHADMP C[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000903921074 923401122 /nfs/dbraw/zinc/40/11/22/923401122.db2.gz MTPZMFRPKDTXBK-AEFFLSMTSA-N 2 1 395.482 3.985 20 0 GHADMP CCC1([NH3+])CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000903946243 923427532 /nfs/dbraw/zinc/42/75/32/923427532.db2.gz MJBFQUWAGJOFEC-UHFFFAOYSA-N 2 1 375.520 3.697 20 0 GHADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000903957989 923437056 /nfs/dbraw/zinc/43/70/56/923437056.db2.gz VNLDICLYOUKNKS-AWEZNQCLSA-N 2 1 376.875 3.862 20 0 GHADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000370215202 923962670 /nfs/dbraw/zinc/96/26/70/923962670.db2.gz JFVNYRJYBODKTM-QGZVFWFLSA-N 2 1 377.598 3.506 20 0 GHADMP C[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000370260151 923990767 /nfs/dbraw/zinc/99/07/67/923990767.db2.gz KHCPZIQFEHDIJU-LJQANCHMSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+](CC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000676872297 924121127 /nfs/dbraw/zinc/12/11/27/924121127.db2.gz SIDHAXPHZVLRPE-RTBURBONSA-N 2 1 385.552 3.692 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000677128962 924251509 /nfs/dbraw/zinc/25/15/09/924251509.db2.gz GGZPLKDNZGMSLH-CTNGQTDRSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677904880 924543213 /nfs/dbraw/zinc/54/32/13/924543213.db2.gz SXWFDPVIQSCEGY-XLIONFOSSA-N 2 1 383.502 3.596 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000678125447 924619043 /nfs/dbraw/zinc/61/90/43/924619043.db2.gz VMLMEIUXKWBYLT-OAQYLSRUSA-N 2 1 382.504 3.735 20 0 GHADMP COc1cc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc(OC)c1 ZINC000678153865 924636881 /nfs/dbraw/zinc/63/68/81/924636881.db2.gz TVMWDWYRPILVJY-UHFFFAOYSA-N 2 1 384.520 3.810 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 ZINC000678297640 924713123 /nfs/dbraw/zinc/71/31/23/924713123.db2.gz NLZHZISITQNUEW-GJZGRUSLSA-N 2 1 384.364 3.800 20 0 GHADMP Fc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c2c1 ZINC001137337294 924765412 /nfs/dbraw/zinc/76/54/12/924765412.db2.gz XNEVPVDXBDQDQH-UHFFFAOYSA-N 2 1 383.467 3.767 20 0 GHADMP Fc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c2c1 ZINC001137337294 924765417 /nfs/dbraw/zinc/76/54/17/924765417.db2.gz XNEVPVDXBDQDQH-UHFFFAOYSA-N 2 1 383.467 3.767 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000371674620 924765728 /nfs/dbraw/zinc/76/57/28/924765728.db2.gz HSBJTTGYGLWGRW-MRXNPFEDSA-N 2 1 389.531 3.967 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000371674620 924765734 /nfs/dbraw/zinc/76/57/34/924765734.db2.gz HSBJTTGYGLWGRW-MRXNPFEDSA-N 2 1 389.531 3.967 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335522 925099406 /nfs/dbraw/zinc/09/94/06/925099406.db2.gz BCQUEKWOCUHNKB-RDGATRHJSA-N 2 1 391.559 3.982 20 0 GHADMP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400097 925124269 /nfs/dbraw/zinc/12/42/69/925124269.db2.gz KWMKVYKADOJKKT-SNJCGAMXSA-N 2 1 381.564 3.705 20 0 GHADMP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400097 925124275 /nfs/dbraw/zinc/12/42/75/925124275.db2.gz KWMKVYKADOJKKT-SNJCGAMXSA-N 2 1 381.564 3.705 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1)C1CC[NH+](C)CC1 ZINC000680002121 925328217 /nfs/dbraw/zinc/32/82/17/925328217.db2.gz QGBSLJSOWHFULR-OAQYLSRUSA-N 2 1 378.564 3.677 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410373221 925585690 /nfs/dbraw/zinc/58/56/90/925585690.db2.gz WMDVWUSKDTWAIH-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410373224 925586116 /nfs/dbraw/zinc/58/61/16/925586116.db2.gz WMDVWUSKDTWAIH-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(N2CCCC2)n1 ZINC000681397123 925811044 /nfs/dbraw/zinc/81/10/44/925811044.db2.gz HGKCKRZAJHJGKX-NFBKMPQASA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(N2CCCC2)n1 ZINC000681397123 925811054 /nfs/dbraw/zinc/81/10/54/925811054.db2.gz HGKCKRZAJHJGKX-NFBKMPQASA-N 2 1 378.564 3.990 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1cccs1 ZINC000373301497 926004482 /nfs/dbraw/zinc/00/44/82/926004482.db2.gz LEEDUFGXRZILGS-QAPCUYQASA-N 2 1 376.595 3.846 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1cccs1 ZINC000373301497 926004491 /nfs/dbraw/zinc/00/44/91/926004491.db2.gz LEEDUFGXRZILGS-QAPCUYQASA-N 2 1 376.595 3.846 20 0 GHADMP CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000682167173 926030790 /nfs/dbraw/zinc/03/07/90/926030790.db2.gz PXAWXHPWDQYGMX-LJQANCHMSA-N 2 1 386.458 3.705 20 0 GHADMP CC(CCN1CCC[C@H]([NH+]2CCCC2)C1)CC[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000411172534 926159306 /nfs/dbraw/zinc/15/93/06/926159306.db2.gz MAFKYKRHBZSPNF-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CCC[C@H]([NH+]2CCCC2)C1)CC[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000411172534 926159311 /nfs/dbraw/zinc/15/93/11/926159311.db2.gz MAFKYKRHBZSPNF-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP CCCNC(=O)CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411400264 926365009 /nfs/dbraw/zinc/36/50/09/926365009.db2.gz UAXYSVVHXAVZSF-UHFFFAOYSA-N 2 1 399.501 3.908 20 0 GHADMP CCCNC(=O)CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411400264 926365021 /nfs/dbraw/zinc/36/50/21/926365021.db2.gz UAXYSVVHXAVZSF-UHFFFAOYSA-N 2 1 399.501 3.908 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411553408 926507446 /nfs/dbraw/zinc/50/74/46/926507446.db2.gz RPSGCOOPCTXPGA-URXFXBBRSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411553408 926507455 /nfs/dbraw/zinc/50/74/55/926507455.db2.gz RPSGCOOPCTXPGA-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411553408 926507465 /nfs/dbraw/zinc/50/74/65/926507465.db2.gz RPSGCOOPCTXPGA-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411553408 926507471 /nfs/dbraw/zinc/50/74/71/926507471.db2.gz RPSGCOOPCTXPGA-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000411630484 926583910 /nfs/dbraw/zinc/58/39/10/926583910.db2.gz INQRVMHVIJHJDP-UHFFFAOYSA-N 2 1 380.895 3.979 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000411630484 926583918 /nfs/dbraw/zinc/58/39/18/926583918.db2.gz INQRVMHVIJHJDP-UHFFFAOYSA-N 2 1 380.895 3.979 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751082423 928019775 /nfs/dbraw/zinc/01/97/75/928019775.db2.gz QRUXIWYPEGMHTQ-DNJQPREOSA-N 2 1 398.595 3.918 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751109293 928033704 /nfs/dbraw/zinc/03/37/04/928033704.db2.gz DSOZKPINSKIYAT-VNXZQDSDSA-N 2 1 398.595 3.699 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000751998733 928540901 /nfs/dbraw/zinc/54/09/01/928540901.db2.gz UJWPNJVILMDRCG-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000751998733 928540914 /nfs/dbraw/zinc/54/09/14/928540914.db2.gz UJWPNJVILMDRCG-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000751998733 928540918 /nfs/dbraw/zinc/54/09/18/928540918.db2.gz UJWPNJVILMDRCG-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000544330553 929059075 /nfs/dbraw/zinc/05/90/75/929059075.db2.gz KOCPLNZIOOAYPA-NHCUHLMSSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000544343874 929072266 /nfs/dbraw/zinc/07/22/66/929072266.db2.gz TVMIVDAJJQPCIC-VOQZNFBZSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000544343874 929072278 /nfs/dbraw/zinc/07/22/78/929072278.db2.gz TVMIVDAJJQPCIC-VOQZNFBZSA-N 2 1 399.966 3.970 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C/C=C\c2ccc(F)cc2F)c2cccs2)CC1 ZINC000544613261 929344855 /nfs/dbraw/zinc/34/48/55/929344855.db2.gz ZFQKGMISROTVIQ-GHMGLMHVSA-N 2 1 377.504 3.618 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000469429271 929879334 /nfs/dbraw/zinc/87/93/34/929879334.db2.gz BHUJWXFDMXURRI-LZBANZJXSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@](C)(c3ccccn3)CC2=O)CC1 ZINC000758239521 929983636 /nfs/dbraw/zinc/98/36/36/929983636.db2.gz MRBOEHVHSZQLRC-GBXCKJPGSA-N 2 1 398.595 3.506 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@](C)(c3ccccn3)CC2=O)CC1 ZINC000758239521 929983648 /nfs/dbraw/zinc/98/36/48/929983648.db2.gz MRBOEHVHSZQLRC-GBXCKJPGSA-N 2 1 398.595 3.506 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000469791018 930163692 /nfs/dbraw/zinc/16/36/92/930163692.db2.gz OQVSYAAWNDAEFF-ACRUOGEOSA-N 2 1 389.584 3.665 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000469791018 930163694 /nfs/dbraw/zinc/16/36/94/930163694.db2.gz OQVSYAAWNDAEFF-ACRUOGEOSA-N 2 1 389.584 3.665 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000759136704 930283981 /nfs/dbraw/zinc/28/39/81/930283981.db2.gz QIMUIRZBDZZXRH-UHFFFAOYSA-N 2 1 375.557 3.852 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000759517882 930391761 /nfs/dbraw/zinc/39/17/61/930391761.db2.gz GIUHOKKLUJUYTQ-FGZHOGPDSA-N 2 1 386.584 3.777 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000470276363 930504494 /nfs/dbraw/zinc/50/44/94/930504494.db2.gz GAKQFKLWXSNAGX-UGKGYDQZSA-N 2 1 388.600 3.515 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547511947 931084580 /nfs/dbraw/zinc/08/45/80/931084580.db2.gz KXAWIPFNDJDMBW-GPUOULLFSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547511947 931084583 /nfs/dbraw/zinc/08/45/83/931084583.db2.gz KXAWIPFNDJDMBW-GPUOULLFSA-N 2 1 393.575 3.560 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3ccccc3OC)C2=O)CC1)CC1CC1 ZINC000557187860 931257235 /nfs/dbraw/zinc/25/72/35/931257235.db2.gz VJVOEBPAJBXWII-QFIPXVFZSA-N 2 1 399.579 3.635 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000557266152 931310196 /nfs/dbraw/zinc/31/01/96/931310196.db2.gz NQHOUDQPZGVMBD-SFHVURJKSA-N 2 1 393.510 3.764 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000782935993 931368042 /nfs/dbraw/zinc/36/80/42/931368042.db2.gz CNSDDWJNXMAQOK-RTBURBONSA-N 2 1 385.552 3.648 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000782935993 931368050 /nfs/dbraw/zinc/36/80/50/931368050.db2.gz CNSDDWJNXMAQOK-RTBURBONSA-N 2 1 385.552 3.648 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000782935993 931368057 /nfs/dbraw/zinc/36/80/57/931368057.db2.gz CNSDDWJNXMAQOK-RTBURBONSA-N 2 1 385.552 3.648 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)c1OC ZINC000557392551 931397382 /nfs/dbraw/zinc/39/73/82/931397382.db2.gz FUNLIPRWRIAGQG-IBGZPJMESA-N 2 1 397.563 3.610 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924657417 931465484 /nfs/dbraw/zinc/46/54/84/931465484.db2.gz CHARJBMMZQVHIC-JOCHJYFZSA-N 2 1 386.971 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)c1 ZINC000924876059 931570591 /nfs/dbraw/zinc/57/05/91/931570591.db2.gz ZSRZBMLEIONKNN-ZWKOTPCHSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2cnnc2)c1 ZINC000924876059 931570598 /nfs/dbraw/zinc/57/05/98/931570598.db2.gz ZSRZBMLEIONKNN-ZWKOTPCHSA-N 2 1 381.549 3.892 20 0 GHADMP Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000924930910 931589320 /nfs/dbraw/zinc/58/93/20/931589320.db2.gz ZFQOZPFLTSEZDH-INIZCTEOSA-N 2 1 387.524 3.632 20 0 GHADMP COc1ccc(Oc2ccc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000784534262 931928649 /nfs/dbraw/zinc/92/86/49/931928649.db2.gz LAYKFHMPZLWMGR-UHFFFAOYSA-N 2 1 383.536 3.605 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000558734271 932200295 /nfs/dbraw/zinc/20/02/95/932200295.db2.gz KGRVHGRFSBYPOX-JOCHJYFZSA-N 2 1 395.547 3.914 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000558734271 932200309 /nfs/dbraw/zinc/20/03/09/932200309.db2.gz KGRVHGRFSBYPOX-JOCHJYFZSA-N 2 1 395.547 3.914 20 0 GHADMP CC[NH+](CC)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558974298 932348130 /nfs/dbraw/zinc/34/81/30/932348130.db2.gz YSUDRKBMXSYOKR-ZJVRTDGDSA-N 2 1 377.960 3.712 20 0 GHADMP CN(CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000797973001 932475091 /nfs/dbraw/zinc/47/50/91/932475091.db2.gz JZWGEDPDECMGHF-UHFFFAOYSA-N 2 1 375.557 3.840 20 0 GHADMP CN(CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000797973001 932475096 /nfs/dbraw/zinc/47/50/96/932475096.db2.gz JZWGEDPDECMGHF-UHFFFAOYSA-N 2 1 375.557 3.840 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000798271990 932585076 /nfs/dbraw/zinc/58/50/76/932585076.db2.gz VTXZUQJMFQUGFD-UIFIKXQLSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000798271990 932585082 /nfs/dbraw/zinc/58/50/82/932585082.db2.gz VTXZUQJMFQUGFD-UIFIKXQLSA-N 2 1 387.568 3.932 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000798415519 932638685 /nfs/dbraw/zinc/63/86/85/932638685.db2.gz GETJYCFSDOKBFR-NFBKMPQASA-N 2 1 388.600 3.564 20 0 GHADMP C[C@@]1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798431327 932644870 /nfs/dbraw/zinc/64/48/70/932644870.db2.gz IVNBWMYMGRJAJQ-DEOSSOPVSA-N 2 1 398.595 3.605 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C2)CC1 ZINC000799178721 932899091 /nfs/dbraw/zinc/89/90/91/932899091.db2.gz GEQJASFKIFJIHY-UHFFFAOYSA-N 2 1 389.559 3.761 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000559842343 932899566 /nfs/dbraw/zinc/89/95/66/932899566.db2.gz MDTZAIPYJQNERZ-FKBYEOEOSA-N 2 1 378.520 3.718 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000559842343 932899590 /nfs/dbraw/zinc/89/95/90/932899590.db2.gz MDTZAIPYJQNERZ-FKBYEOEOSA-N 2 1 378.520 3.718 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000560246145 933152381 /nfs/dbraw/zinc/15/23/81/933152381.db2.gz MRESJSWCSMPTES-NPFVIJTESA-N 2 1 380.536 3.853 20 0 GHADMP C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000560245720 933153325 /nfs/dbraw/zinc/15/33/25/933153325.db2.gz IGXSKNHJZOCQPA-SFHVURJKSA-N 2 1 375.557 3.652 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000560257834 933164827 /nfs/dbraw/zinc/16/48/27/933164827.db2.gz RWEWYGHMGJTFHR-WUEDSLEZSA-N 2 1 393.575 3.798 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccccc3Cl)cc2)C[C@H](C)O1 ZINC000799993825 933206655 /nfs/dbraw/zinc/20/66/55/933206655.db2.gz KJBBQRSHDPNZSC-JKSBSHDWSA-N 2 1 388.939 3.772 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000560356905 933218086 /nfs/dbraw/zinc/21/80/86/933218086.db2.gz NQJXNZNGRKZKEA-FQEVSTJZSA-N 2 1 396.531 3.858 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000560356905 933218092 /nfs/dbraw/zinc/21/80/92/933218092.db2.gz NQJXNZNGRKZKEA-FQEVSTJZSA-N 2 1 396.531 3.858 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001116113837 933341767 /nfs/dbraw/zinc/34/17/67/933341767.db2.gz VGKIAKHKUONKAG-NMIHRBCNSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561144951 933914884 /nfs/dbraw/zinc/91/48/84/933914884.db2.gz SRBDEHUQKYMXEF-QHCPKHFHSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561144951 933914915 /nfs/dbraw/zinc/91/49/15/933914915.db2.gz SRBDEHUQKYMXEF-QHCPKHFHSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561144951 933914923 /nfs/dbraw/zinc/91/49/23/933914923.db2.gz SRBDEHUQKYMXEF-QHCPKHFHSA-N 2 1 379.548 3.665 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000561160279 933926307 /nfs/dbraw/zinc/92/63/07/933926307.db2.gz CCOZDTRAGDIRJY-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000561160279 933926312 /nfs/dbraw/zinc/92/63/12/933926312.db2.gz CCOZDTRAGDIRJY-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000561160279 933926316 /nfs/dbraw/zinc/92/63/16/933926316.db2.gz CCOZDTRAGDIRJY-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP C[N@@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCC1 ZINC001117674763 933979263 /nfs/dbraw/zinc/97/92/63/933979263.db2.gz RAPRDLYMMBOVNQ-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC001117674763 933979265 /nfs/dbraw/zinc/97/92/65/933979265.db2.gz RAPRDLYMMBOVNQ-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCC1 ZINC001117674763 933979270 /nfs/dbraw/zinc/97/92/70/933979270.db2.gz RAPRDLYMMBOVNQ-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000561270182 934005810 /nfs/dbraw/zinc/00/58/10/934005810.db2.gz QQVJTJUKWWIUQD-XXBNENTESA-N 2 1 379.548 3.574 20 0 GHADMP O=c1c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cccn1C(F)F ZINC001119244636 934318232 /nfs/dbraw/zinc/31/82/32/934318232.db2.gz HTYPDCXTUIKVGG-IHWFROFDSA-N 2 1 387.474 3.919 20 0 GHADMP O=c1c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cccn1C(F)F ZINC001119244636 934318242 /nfs/dbraw/zinc/31/82/42/934318242.db2.gz HTYPDCXTUIKVGG-IHWFROFDSA-N 2 1 387.474 3.919 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)c1 ZINC001119502523 934361271 /nfs/dbraw/zinc/36/12/71/934361271.db2.gz QNQUXRQJTGEDQK-HSZRJFAPSA-N 2 1 379.548 3.878 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)c1 ZINC001119502523 934361281 /nfs/dbraw/zinc/36/12/81/934361281.db2.gz QNQUXRQJTGEDQK-HSZRJFAPSA-N 2 1 379.548 3.878 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)c1 ZINC001119502523 934361290 /nfs/dbraw/zinc/36/12/90/934361290.db2.gz QNQUXRQJTGEDQK-HSZRJFAPSA-N 2 1 379.548 3.878 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccco2)C(C)C)CC1 ZINC000561781193 934449730 /nfs/dbraw/zinc/44/97/30/934449730.db2.gz NNWPKHYVZKMVEF-UHFFFAOYSA-N 2 1 383.536 3.579 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccco2)C(C)C)CC1 ZINC000561781193 934449735 /nfs/dbraw/zinc/44/97/35/934449735.db2.gz NNWPKHYVZKMVEF-UHFFFAOYSA-N 2 1 383.536 3.579 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001124583951 935419657 /nfs/dbraw/zinc/41/96/57/935419657.db2.gz CZKPIFYQFRMIBT-DEOSSOPVSA-N 2 1 391.559 3.811 20 0 GHADMP O=C1O[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CN1C1CCCCC1 ZINC000828443378 935633062 /nfs/dbraw/zinc/63/30/62/935633062.db2.gz FBHXCCCFOHPVSZ-HXUWFJFHSA-N 2 1 386.540 3.552 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001137785629 935788527 /nfs/dbraw/zinc/78/85/27/935788527.db2.gz OSRZPDBMAULHPE-NRFANRHFSA-N 2 1 382.504 3.943 20 0 GHADMP CCC[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC[N@@H+]1Cc1ccccc1 ZINC001137819542 935806975 /nfs/dbraw/zinc/80/69/75/935806975.db2.gz XKGFIZGGGPAVLB-CTNGQTDRSA-N 2 1 382.552 3.910 20 0 GHADMP CCC[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC[N@H+]1Cc1ccccc1 ZINC001137819542 935806978 /nfs/dbraw/zinc/80/69/78/935806978.db2.gz XKGFIZGGGPAVLB-CTNGQTDRSA-N 2 1 382.552 3.910 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001226748478 1032110208 /nfs/dbraw/zinc/11/02/08/1032110208.db2.gz VYGHCURASAOVII-FCHUYYIVSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001226748478 1032110218 /nfs/dbraw/zinc/11/02/18/1032110218.db2.gz VYGHCURASAOVII-FCHUYYIVSA-N 2 1 392.632 3.985 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001226748478 1032110227 /nfs/dbraw/zinc/11/02/27/1032110227.db2.gz VYGHCURASAOVII-FCHUYYIVSA-N 2 1 392.632 3.985 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH2+][C@H](C)c1ccccc1 ZINC000468005834 1015131939 /nfs/dbraw/zinc/13/19/39/1015131939.db2.gz PLPXACATJFIZIY-NMIHRBCNSA-N 2 1 386.584 3.630 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000468284595 1015544506 /nfs/dbraw/zinc/54/45/06/1015544506.db2.gz BBKTWGJEPBMAQA-ICSRJNTNSA-N 2 1 386.540 3.847 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000468284595 1015544518 /nfs/dbraw/zinc/54/45/18/1015544518.db2.gz BBKTWGJEPBMAQA-ICSRJNTNSA-N 2 1 386.540 3.847 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@@H](C)C1 ZINC000468391491 1015658675 /nfs/dbraw/zinc/65/86/75/1015658675.db2.gz FARPPTQQFKLTKB-SBUREZEXSA-N 2 1 384.568 3.719 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@@H](C)C1 ZINC000468391491 1015658678 /nfs/dbraw/zinc/65/86/78/1015658678.db2.gz FARPPTQQFKLTKB-SBUREZEXSA-N 2 1 384.568 3.719 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@@H](C)C1 ZINC000468391491 1015658680 /nfs/dbraw/zinc/65/86/80/1015658680.db2.gz FARPPTQQFKLTKB-SBUREZEXSA-N 2 1 384.568 3.719 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@@H](C)C1 ZINC000468391491 1015658686 /nfs/dbraw/zinc/65/86/86/1015658686.db2.gz FARPPTQQFKLTKB-SBUREZEXSA-N 2 1 384.568 3.719 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)c1ccccc1 ZINC001220788951 1032122860 /nfs/dbraw/zinc/12/28/60/1032122860.db2.gz HMHAYEQNCIKESA-ZRBLBEILSA-N 2 1 394.563 3.712 20 0 GHADMP C[C@H]1[C@@H](CC(=O)N[C@@H](C[NH3+])C(C)(C)C)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001220859710 1032157183 /nfs/dbraw/zinc/15/71/83/1032157183.db2.gz KGLWOXSDUDHYIE-NYVOZVTQSA-N 2 1 393.575 3.976 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH+](C)C)cc2)C1 ZINC001220882830 1032170005 /nfs/dbraw/zinc/17/00/05/1032170005.db2.gz BNODCLOZHBAJKO-IBGZPJMESA-N 2 1 388.600 3.648 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(C)(C)C[NH+](C)C ZINC001220880444 1032171343 /nfs/dbraw/zinc/17/13/43/1032171343.db2.gz QZUSMXWAIWGMCA-RTBURBONSA-N 2 1 388.600 3.694 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc([C@H]2CCC[NH2+]2)n1 ZINC001221012822 1032236780 /nfs/dbraw/zinc/23/67/80/1032236780.db2.gz CEKVIUWQOZPREK-IEBWSBKVSA-N 2 1 398.576 3.598 20 0 GHADMP C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001221241081 1032345704 /nfs/dbraw/zinc/34/57/04/1032345704.db2.gz NHUWEZSHGIRTEG-QXWFJRNPSA-N 2 1 393.575 3.850 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cnc4ccccc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357579 1032516231 /nfs/dbraw/zinc/51/62/31/1032516231.db2.gz HSTAMUJSGBPTOK-FQEVSTJZSA-N 2 1 387.531 3.544 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001221776688 1032532230 /nfs/dbraw/zinc/53/22/30/1032532230.db2.gz ZUAHGFARWAAFRT-BHIFYINESA-N 2 1 386.584 3.555 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1OC ZINC001204187898 1032643062 /nfs/dbraw/zinc/64/30/62/1032643062.db2.gz UGIIWOBWPUJUSG-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP C[C@H]([NH2+]C1(CN[C@@H](CCC[NH3+])c2ccccc2)CCOCC1)c1ccccc1 ZINC000925512437 1017098200 /nfs/dbraw/zinc/09/82/00/1017098200.db2.gz CNFALIZYACVRPO-REWPJTCUSA-N 2 1 381.564 3.956 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000929771286 1017740248 /nfs/dbraw/zinc/74/02/48/1017740248.db2.gz DLOZLSCDRHSBQS-IBGZPJMESA-N 2 1 383.540 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000929771286 1017740261 /nfs/dbraw/zinc/74/02/61/1017740261.db2.gz DLOZLSCDRHSBQS-IBGZPJMESA-N 2 1 383.540 3.908 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C2)nn1 ZINC000560979719 1017769264 /nfs/dbraw/zinc/76/92/64/1017769264.db2.gz RLRVQZDBIBKAOO-IBGZPJMESA-N 2 1 381.455 3.505 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000561981144 1017997962 /nfs/dbraw/zinc/99/79/62/1017997962.db2.gz ZHQPDMFAACNNJC-LJQANCHMSA-N 2 1 377.916 3.925 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000561981144 1017997966 /nfs/dbraw/zinc/99/79/66/1017997966.db2.gz ZHQPDMFAACNNJC-LJQANCHMSA-N 2 1 377.916 3.925 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3OC(C)C)CC2)CC1 ZINC000563389906 1018909310 /nfs/dbraw/zinc/90/93/10/1018909310.db2.gz KCFUFEUWGQKEEC-UHFFFAOYSA-N 2 1 391.531 3.748 20 0 GHADMP COc1cccc([C@H](C)CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000564707422 1019103076 /nfs/dbraw/zinc/10/30/76/1019103076.db2.gz TYBOOMTZLGULFB-GOSISDBHSA-N 2 1 396.535 3.755 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973581 1019133283 /nfs/dbraw/zinc/13/32/83/1019133283.db2.gz RZMHYVZRSCVGAB-LJQANCHMSA-N 2 1 389.341 3.519 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973581 1019133292 /nfs/dbraw/zinc/13/32/92/1019133292.db2.gz RZMHYVZRSCVGAB-LJQANCHMSA-N 2 1 389.341 3.519 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3Cc3ccc(C)cc3)CC2)CC1 ZINC000567364653 1019285786 /nfs/dbraw/zinc/28/57/86/1019285786.db2.gz QOYZTTJCOHMENN-XMMPIXPASA-N 2 1 397.607 3.725 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(NCc2cccnc2C2CC[NH2+]CC2)n1 ZINC001155999676 1032832985 /nfs/dbraw/zinc/83/29/85/1032832985.db2.gz JHTPZNAOKXICSZ-UHFFFAOYSA-N 2 1 385.943 3.805 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000578319562 1020343641 /nfs/dbraw/zinc/34/36/41/1020343641.db2.gz QIKMSSFRNGXDCY-MBSDFSHPSA-N 2 1 377.532 3.564 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439870 1020791779 /nfs/dbraw/zinc/79/17/79/1020791779.db2.gz YVVNJWSKWYBOAE-AGDMDRQQSA-N 2 1 376.544 3.996 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCCc3nnc4n3CCCCC4)CC[N@@H+]2C2CC2)cc1 ZINC000638511376 1021045458 /nfs/dbraw/zinc/04/54/58/1021045458.db2.gz OPMBLUMDGVLQHF-RBBKRZOGSA-N 2 1 393.579 3.895 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH2+]CCCc3nnc4n3CCCCC4)CC[N@H+]2C2CC2)cc1 ZINC000638511376 1021045464 /nfs/dbraw/zinc/04/54/64/1021045464.db2.gz OPMBLUMDGVLQHF-RBBKRZOGSA-N 2 1 393.579 3.895 20 0 GHADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000834578348 1021279354 /nfs/dbraw/zinc/27/93/54/1021279354.db2.gz MBWJIQOTIAAGIK-OLKYXYMISA-N 2 1 380.532 3.761 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001204594079 1032988966 /nfs/dbraw/zinc/98/89/66/1032988966.db2.gz XJCIUZYQKYSBOI-IBGZPJMESA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001204594079 1032988972 /nfs/dbraw/zinc/98/89/72/1032988972.db2.gz XJCIUZYQKYSBOI-IBGZPJMESA-N 2 1 389.565 3.751 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@H]1c1ccccc1 ZINC000677583216 1021852784 /nfs/dbraw/zinc/85/27/84/1021852784.db2.gz ANKFMCCQMSZARV-DHIUTWEWSA-N 2 1 398.595 3.729 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(O)c(C)c1)CC2 ZINC001140577980 1021997394 /nfs/dbraw/zinc/99/73/94/1021997394.db2.gz TXRJUVCUQMIRNI-QFIPXVFZSA-N 2 1 395.547 3.599 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccccc1 ZINC000679722141 1022044321 /nfs/dbraw/zinc/04/43/21/1022044321.db2.gz WCOGHRQELRLZSV-MDNUFGMLSA-N 2 1 377.532 3.906 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001140619196 1022086116 /nfs/dbraw/zinc/08/61/16/1022086116.db2.gz OYQRXOVHDMCTQV-RUZDIDTESA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001140619196 1022086131 /nfs/dbraw/zinc/08/61/31/1022086131.db2.gz OYQRXOVHDMCTQV-RUZDIDTESA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001140619196 1022086157 /nfs/dbraw/zinc/08/61/57/1022086157.db2.gz OYQRXOVHDMCTQV-RUZDIDTESA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001140619196 1022086172 /nfs/dbraw/zinc/08/61/72/1022086172.db2.gz OYQRXOVHDMCTQV-RUZDIDTESA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H](C[NH+]1CC[C@@H](Cc2ccncc2)C1)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680888966 1022241899 /nfs/dbraw/zinc/24/18/99/1022241899.db2.gz MMZSOLWFGVGETN-LQLSTCSOSA-N 2 1 378.564 3.542 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H](Cc2ccncc2)C1)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888966 1022241914 /nfs/dbraw/zinc/24/19/14/1022241914.db2.gz MMZSOLWFGVGETN-LQLSTCSOSA-N 2 1 378.564 3.542 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H](Cc2ccncc2)C1)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888966 1022241922 /nfs/dbraw/zinc/24/19/22/1022241922.db2.gz MMZSOLWFGVGETN-LQLSTCSOSA-N 2 1 378.564 3.542 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(CN4CC[NH+](C)CC4)cc3)c2C1 ZINC001204741268 1033058480 /nfs/dbraw/zinc/05/84/80/1033058480.db2.gz WDOMAGFUZAQQKO-UHFFFAOYSA-N 2 1 399.608 3.589 20 0 GHADMP CCC[N@@H+]1CCc2c(N)sc(Nc3ccc(C[NH+]4CCN(C)CC4)cc3)c2C1 ZINC001204741268 1033058486 /nfs/dbraw/zinc/05/84/86/1033058486.db2.gz WDOMAGFUZAQQKO-UHFFFAOYSA-N 2 1 399.608 3.589 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(C[NH+]4CCN(C)CC4)cc3)c2C1 ZINC001204741268 1033058499 /nfs/dbraw/zinc/05/84/99/1033058499.db2.gz WDOMAGFUZAQQKO-UHFFFAOYSA-N 2 1 399.608 3.589 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001140803353 1022574246 /nfs/dbraw/zinc/57/42/46/1022574246.db2.gz OSABBSLHPDKWAG-XZOQPEGZSA-N 2 1 392.503 3.546 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001140803353 1022574250 /nfs/dbraw/zinc/57/42/50/1022574250.db2.gz OSABBSLHPDKWAG-XZOQPEGZSA-N 2 1 392.503 3.546 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204757217 1033069880 /nfs/dbraw/zinc/06/98/80/1033069880.db2.gz WQLCXPXKJWSZCI-KURKYZTESA-N 2 1 379.495 3.587 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1[C@H](C)C[NH2+]CC1(F)F ZINC001204757217 1033069891 /nfs/dbraw/zinc/06/98/91/1033069891.db2.gz WQLCXPXKJWSZCI-KURKYZTESA-N 2 1 379.495 3.587 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1nc3ccccc3[nH]1)CC2 ZINC001204770222 1033080929 /nfs/dbraw/zinc/08/09/29/1033080929.db2.gz HDNIFBWAMLSEKH-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1N ZINC001140898872 1022832818 /nfs/dbraw/zinc/83/28/18/1022832818.db2.gz CGOPHDBMNKAZOT-UHFFFAOYSA-N 2 1 382.895 3.801 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001140970983 1023041892 /nfs/dbraw/zinc/04/18/92/1023041892.db2.gz CANXTGAUXVKMLP-QFIPXVFZSA-N 2 1 385.552 3.868 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001140970983 1023041904 /nfs/dbraw/zinc/04/19/04/1023041904.db2.gz CANXTGAUXVKMLP-QFIPXVFZSA-N 2 1 385.552 3.868 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N[C@H]4CC[N@H+](C)C4)c23)C1 ZINC001156581089 1033113187 /nfs/dbraw/zinc/11/31/87/1033113187.db2.gz ASWBKAJDEDPEIF-CABCVRRESA-N 2 1 385.581 3.528 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N[C@H]4CC[N@@H+](C)C4)c23)C1 ZINC001156581089 1033113197 /nfs/dbraw/zinc/11/31/97/1033113197.db2.gz ASWBKAJDEDPEIF-CABCVRRESA-N 2 1 385.581 3.528 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141014397 1023211373 /nfs/dbraw/zinc/21/13/73/1023211373.db2.gz KZQUJOYSLUAOOO-INIZCTEOSA-N 2 1 382.430 3.898 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001141018854 1023221709 /nfs/dbraw/zinc/22/17/09/1023221709.db2.gz NJESDHKUJJUXLJ-IRXDYDNUSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001141018854 1023221724 /nfs/dbraw/zinc/22/17/24/1023221724.db2.gz NJESDHKUJJUXLJ-IRXDYDNUSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001141018854 1023221736 /nfs/dbraw/zinc/22/17/36/1023221736.db2.gz NJESDHKUJJUXLJ-IRXDYDNUSA-N 2 1 378.442 3.773 20 0 GHADMP COc1cccc(-n2ccn(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2=S)c1 ZINC000755777251 1023372672 /nfs/dbraw/zinc/37/26/72/1023372672.db2.gz AXYSCPPYZSLENE-GOSISDBHSA-N 2 1 386.565 3.638 20 0 GHADMP COc1cccc(-n2ccn(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2=S)c1 ZINC000755777251 1023372686 /nfs/dbraw/zinc/37/26/86/1023372686.db2.gz AXYSCPPYZSLENE-GOSISDBHSA-N 2 1 386.565 3.638 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(O)c4ccccc34)CC2)C1 ZINC001138055900 1023959689 /nfs/dbraw/zinc/95/96/89/1023959689.db2.gz JMSZZULZQMFWRN-IBGZPJMESA-N 2 1 396.531 3.785 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(O)c4ccccc34)CC2)C1 ZINC001138055900 1023959693 /nfs/dbraw/zinc/95/96/93/1023959693.db2.gz JMSZZULZQMFWRN-IBGZPJMESA-N 2 1 396.531 3.785 20 0 GHADMP COc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1OC ZINC001141279938 1024376988 /nfs/dbraw/zinc/37/69/88/1024376988.db2.gz XYJLLVYQILUQEW-UHFFFAOYSA-N 2 1 388.483 3.924 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001141375791 1024769789 /nfs/dbraw/zinc/76/97/89/1024769789.db2.gz OPOLBGSNQWJUPN-NRFANRHFSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001141375791 1024769802 /nfs/dbraw/zinc/76/98/02/1024769802.db2.gz OPOLBGSNQWJUPN-NRFANRHFSA-N 2 1 375.532 3.563 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138549533 1024997413 /nfs/dbraw/zinc/99/74/13/1024997413.db2.gz XVKMRRZGGUHKFE-VQIMIIECSA-N 2 1 384.524 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138549533 1024997414 /nfs/dbraw/zinc/99/74/14/1024997414.db2.gz XVKMRRZGGUHKFE-VQIMIIECSA-N 2 1 384.524 3.916 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578905 1025057955 /nfs/dbraw/zinc/05/79/55/1025057955.db2.gz FHDMUYHZUDHTOG-JRGCBEDISA-N 2 1 381.568 3.835 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578905 1025057956 /nfs/dbraw/zinc/05/79/56/1025057956.db2.gz FHDMUYHZUDHTOG-JRGCBEDISA-N 2 1 381.568 3.835 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578905 1025057970 /nfs/dbraw/zinc/05/79/70/1025057970.db2.gz FHDMUYHZUDHTOG-JRGCBEDISA-N 2 1 381.568 3.835 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)C[C@@H]21 ZINC001138578905 1025057981 /nfs/dbraw/zinc/05/79/81/1025057981.db2.gz FHDMUYHZUDHTOG-JRGCBEDISA-N 2 1 381.568 3.835 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738809 1025276808 /nfs/dbraw/zinc/27/68/08/1025276808.db2.gz DCRRPIVLBUKWGP-CEMLEFRQSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738809 1025276820 /nfs/dbraw/zinc/27/68/20/1025276820.db2.gz DCRRPIVLBUKWGP-CEMLEFRQSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738809 1025276829 /nfs/dbraw/zinc/27/68/29/1025276829.db2.gz DCRRPIVLBUKWGP-CEMLEFRQSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738809 1025276838 /nfs/dbraw/zinc/27/68/38/1025276838.db2.gz DCRRPIVLBUKWGP-CEMLEFRQSA-N 2 1 375.520 3.690 20 0 GHADMP CCN(CC)c1ncc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC001138802053 1025390894 /nfs/dbraw/zinc/39/08/94/1025390894.db2.gz AZNUPCLSHZPNJK-WOJBJXKFSA-N 2 1 384.593 3.943 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cn5c(n4)COCC5)CC3)C2)cc1 ZINC001141531097 1025411341 /nfs/dbraw/zinc/41/13/41/1025411341.db2.gz PUSYTKFNPIHNBT-UHFFFAOYSA-N 2 1 394.563 3.600 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000838972488 1025490211 /nfs/dbraw/zinc/49/02/11/1025490211.db2.gz MASZQVAXOWFAEL-QUCCMNQESA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000838972488 1025490223 /nfs/dbraw/zinc/49/02/23/1025490223.db2.gz MASZQVAXOWFAEL-QUCCMNQESA-N 2 1 387.568 3.934 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c1C ZINC001141565117 1025564906 /nfs/dbraw/zinc/56/49/06/1025564906.db2.gz UJCWBBZUDGQVAZ-KRWDZBQOSA-N 2 1 396.579 3.822 20 0 GHADMP Cn1c2ccccc2c2cc(C[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)ccc21 ZINC001138918370 1025582114 /nfs/dbraw/zinc/58/21/14/1025582114.db2.gz DJCRIDGPWXIZRA-BJKOFHAPSA-N 2 1 376.548 3.542 20 0 GHADMP CCCOc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001138996839 1025740800 /nfs/dbraw/zinc/74/08/00/1025740800.db2.gz OYWGMRKNTPJATJ-UHFFFAOYSA-N 2 1 384.520 3.935 20 0 GHADMP CCCOc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001138996839 1025740812 /nfs/dbraw/zinc/74/08/12/1025740812.db2.gz OYWGMRKNTPJATJ-UHFFFAOYSA-N 2 1 384.520 3.935 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001162800734 1025921084 /nfs/dbraw/zinc/92/10/84/1025921084.db2.gz DHGONBBJKWKIRI-SOLBZPMBSA-N 2 1 391.544 3.606 20 0 GHADMP Cc1cc2ccnc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2[nH]1 ZINC001162927690 1025969890 /nfs/dbraw/zinc/96/98/90/1025969890.db2.gz CRXKXHZAXIYUJI-OAQYLSRUSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1cc2cc[nH+]c(NC[C@@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2[nH]1 ZINC001162927690 1025969896 /nfs/dbraw/zinc/96/98/96/1025969896.db2.gz CRXKXHZAXIYUJI-OAQYLSRUSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1cc2cc[nH+]c(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2[nH]1 ZINC001162927690 1025969900 /nfs/dbraw/zinc/96/99/00/1025969900.db2.gz CRXKXHZAXIYUJI-OAQYLSRUSA-N 3 1 389.547 3.785 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cnc4c(c3)CN=N4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941099 1025977633 /nfs/dbraw/zinc/97/76/33/1025977633.db2.gz DJWVSNQOBOHXNA-IBGZPJMESA-N 2 1 376.508 3.593 20 0 GHADMP CC[N@H+]1CCO[C@@H]2CN(Cc3c4ccccc4[nH]c3-c3ccccc3)C[C@@H]2C1 ZINC001139203529 1026047803 /nfs/dbraw/zinc/04/78/03/1026047803.db2.gz WGWRXZBLDHSEQM-WMZHIEFXSA-N 2 1 375.516 3.987 20 0 GHADMP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c4ccccc4[nH]c3-c3ccccc3)C[C@@H]2C1 ZINC001139203529 1026047818 /nfs/dbraw/zinc/04/78/18/1026047818.db2.gz WGWRXZBLDHSEQM-WMZHIEFXSA-N 2 1 375.516 3.987 20 0 GHADMP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c4ccccc4[nH]c3-c3ccccc3)C[C@@H]2C1 ZINC001139203529 1026047828 /nfs/dbraw/zinc/04/78/28/1026047828.db2.gz WGWRXZBLDHSEQM-WMZHIEFXSA-N 2 1 375.516 3.987 20 0 GHADMP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c4ccccc4[nH]c3-c3ccccc3)C[C@@H]2C1 ZINC001139203529 1026047844 /nfs/dbraw/zinc/04/78/44/1026047844.db2.gz WGWRXZBLDHSEQM-WMZHIEFXSA-N 2 1 375.516 3.987 20 0 GHADMP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c4ccccc4[nH]c3-c3ccccc3)C[C@@H]2C1 ZINC001139203529 1026047853 /nfs/dbraw/zinc/04/78/53/1026047853.db2.gz WGWRXZBLDHSEQM-WMZHIEFXSA-N 2 1 375.516 3.987 20 0 GHADMP CC[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139360706 1026235036 /nfs/dbraw/zinc/23/50/36/1026235036.db2.gz DUNFQOBWEZTLGL-IBGZPJMESA-N 2 1 384.524 3.951 20 0 GHADMP CC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139512663 1026365933 /nfs/dbraw/zinc/36/59/33/1026365933.db2.gz DUMIZNIYBRNVKO-HSZRJFAPSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001139514353 1026370298 /nfs/dbraw/zinc/37/02/98/1026370298.db2.gz IEGMJZGTNBFMRX-OYRHEFFESA-N 2 1 379.548 3.618 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC001139514353 1026370309 /nfs/dbraw/zinc/37/03/09/1026370309.db2.gz IEGMJZGTNBFMRX-OYRHEFFESA-N 2 1 379.548 3.618 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001139710274 1026555120 /nfs/dbraw/zinc/55/51/20/1026555120.db2.gz OUEPYOZRDYXQIV-LJQANCHMSA-N 2 1 384.520 3.858 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1Cl)CC2 ZINC001139848245 1026666948 /nfs/dbraw/zinc/66/69/48/1026666948.db2.gz DXZWULSMUCADQK-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP Fc1cccc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1O[C@H]1CC[NH2+]C1 ZINC001165213660 1026669351 /nfs/dbraw/zinc/66/93/51/1026669351.db2.gz MAANDZWKFJVNSZ-IBGZPJMESA-N 2 1 397.494 3.631 20 0 GHADMP C1=CC2(CC[NH2+]CC2)c2c1cccc2NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165385211 1026715772 /nfs/dbraw/zinc/71/57/72/1026715772.db2.gz QMCZCLVVKSEYRB-UHFFFAOYSA-N 2 1 389.543 3.779 20 0 GHADMP Clc1ncnc2[nH]cc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c21 ZINC001139936126 1026742675 /nfs/dbraw/zinc/74/26/75/1026742675.db2.gz KAKBTKODJVGSST-NRFANRHFSA-N 2 1 381.911 3.661 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3ccccc3C2)c1 ZINC001461138520 1069409147 /nfs/dbraw/zinc/40/91/47/1069409147.db2.gz BSTUMUAAVIMGDC-QHCPKHFHSA-N 2 1 382.548 3.681 20 0 GHADMP Cc1nccn1-c1ccccc1CN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@H]2C1 ZINC001140024975 1026811148 /nfs/dbraw/zinc/81/11/48/1026811148.db2.gz JLORDWHGMLXKJJ-GMAHTHKFSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@@H+]2C[C@@H](Oc3ccccc3)C[C@H]2C1 ZINC001140024975 1026811163 /nfs/dbraw/zinc/81/11/63/1026811163.db2.gz JLORDWHGMLXKJJ-GMAHTHKFSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@H]2C1 ZINC001140024975 1026811173 /nfs/dbraw/zinc/81/11/73/1026811173.db2.gz JLORDWHGMLXKJJ-GMAHTHKFSA-N 2 1 388.515 3.518 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)c2c1 ZINC001140069047 1026848809 /nfs/dbraw/zinc/84/88/09/1026848809.db2.gz HOPYYHCKNANYRU-UHFFFAOYSA-N 2 1 376.504 3.670 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)ccc1C ZINC001140157661 1026930159 /nfs/dbraw/zinc/93/01/59/1026930159.db2.gz KZLRMAPTZBBVTI-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)ccc1C ZINC001140157661 1026930166 /nfs/dbraw/zinc/93/01/66/1026930166.db2.gz KZLRMAPTZBBVTI-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)ccc1C ZINC001140157661 1026930170 /nfs/dbraw/zinc/93/01/70/1026930170.db2.gz KZLRMAPTZBBVTI-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)ccc1C ZINC001140157661 1026930174 /nfs/dbraw/zinc/93/01/74/1026930174.db2.gz KZLRMAPTZBBVTI-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](CC)CC)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001166181893 1026937099 /nfs/dbraw/zinc/93/70/99/1026937099.db2.gz VABASEWNNKOGPI-VQTJNVASSA-N 2 1 379.976 3.741 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001461168360 1069423570 /nfs/dbraw/zinc/42/35/70/1069423570.db2.gz BAWNXOBANDHIBD-ICSRJNTNSA-N 2 1 375.557 3.921 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001140170112 1026942851 /nfs/dbraw/zinc/94/28/51/1026942851.db2.gz PKAKAGAGOJBCDA-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(-c4ccncc4)cc3)C2)C1 ZINC001140170112 1026942858 /nfs/dbraw/zinc/94/28/58/1026942858.db2.gz PKAKAGAGOJBCDA-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)C4(CCCC4)[C@H]3c3ccccc3)C2)CC1 ZINC000840038437 1027102979 /nfs/dbraw/zinc/10/29/79/1027102979.db2.gz UQEWOOSAIPWALZ-FCHUYYIVSA-N 2 1 381.564 3.752 20 0 GHADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC001461195526 1069436340 /nfs/dbraw/zinc/43/63/40/1069436340.db2.gz MIQOLGSDRSUPLK-LYGNXSNRSA-N 2 1 379.589 3.876 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC001461195526 1069436347 /nfs/dbraw/zinc/43/63/47/1069436347.db2.gz MIQOLGSDRSUPLK-LYGNXSNRSA-N 2 1 379.589 3.876 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@H](c4cccc(Cl)c4Cl)C3)n2)CC1 ZINC001166896100 1027139626 /nfs/dbraw/zinc/13/96/26/1027139626.db2.gz UJSOSJIQSSHTKO-ZDUSSCGKSA-N 2 1 392.334 3.705 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cnc3ccccn13)CC2 ZINC001203147717 1027215818 /nfs/dbraw/zinc/21/58/18/1027215818.db2.gz AKIZTIJXUHWJGW-GOSISDBHSA-N 2 1 396.560 3.651 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001210495037 1027533552 /nfs/dbraw/zinc/53/35/52/1027533552.db2.gz YSAOKWQUOVLJEM-RTBURBONSA-N 2 1 390.572 3.649 20 0 GHADMP COc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001203819587 1027632937 /nfs/dbraw/zinc/63/29/37/1027632937.db2.gz XJRQEZASYCKGMO-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001203819587 1027632941 /nfs/dbraw/zinc/63/29/41/1027632941.db2.gz XJRQEZASYCKGMO-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001203819587 1027632948 /nfs/dbraw/zinc/63/29/48/1027632948.db2.gz XJRQEZASYCKGMO-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001203819587 1027632951 /nfs/dbraw/zinc/63/29/51/1027632951.db2.gz XJRQEZASYCKGMO-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP Cc1nccn1C[C@H](C)CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001210806384 1027657431 /nfs/dbraw/zinc/65/74/31/1027657431.db2.gz DLLKNEQWQLDTIP-FYQPLNBISA-N 2 1 397.567 3.521 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001210806384 1027657438 /nfs/dbraw/zinc/65/74/38/1027657438.db2.gz DLLKNEQWQLDTIP-FYQPLNBISA-N 2 1 397.567 3.521 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3cccc(C(F)(F)F)c3)C2)C1 ZINC001203885574 1027681034 /nfs/dbraw/zinc/68/10/34/1027681034.db2.gz DZNOHDDRIWKEHS-WOJBJXKFSA-N 2 1 382.470 3.886 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(Cc1cccc3ccccc31)CCC2 ZINC001203983112 1027777885 /nfs/dbraw/zinc/77/78/85/1027777885.db2.gz BIIMJQCFXXFKKQ-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1cccc3ccccc31)CCC2 ZINC001203983112 1027777905 /nfs/dbraw/zinc/77/79/05/1027777905.db2.gz BIIMJQCFXXFKKQ-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1cccc3ccccc31)CCC2 ZINC001203983112 1027777925 /nfs/dbraw/zinc/77/79/25/1027777925.db2.gz BIIMJQCFXXFKKQ-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccc3ccccc31)CCC2 ZINC001203983112 1027777933 /nfs/dbraw/zinc/77/79/33/1027777933.db2.gz BIIMJQCFXXFKKQ-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccc3ccccc31)CCC2 ZINC001203983112 1027777958 /nfs/dbraw/zinc/77/79/58/1027777958.db2.gz BIIMJQCFXXFKKQ-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001203983748 1027781222 /nfs/dbraw/zinc/78/12/22/1027781222.db2.gz IRCHEMUSLGNXIA-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001203983748 1027781246 /nfs/dbraw/zinc/78/12/46/1027781246.db2.gz IRCHEMUSLGNXIA-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc4ccccc43)CC[C@@H]21 ZINC001203983748 1027781268 /nfs/dbraw/zinc/78/12/68/1027781268.db2.gz IRCHEMUSLGNXIA-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001203989507 1027787319 /nfs/dbraw/zinc/78/73/19/1027787319.db2.gz ZSXDTRIWJGWPAL-RTWAWAEBSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001203989507 1027787339 /nfs/dbraw/zinc/78/73/39/1027787339.db2.gz ZSXDTRIWJGWPAL-RTWAWAEBSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001203989507 1027787360 /nfs/dbraw/zinc/78/73/60/1027787360.db2.gz ZSXDTRIWJGWPAL-RTWAWAEBSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2ccccc2c1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001203989507 1027787380 /nfs/dbraw/zinc/78/73/80/1027787380.db2.gz ZSXDTRIWJGWPAL-RTWAWAEBSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2ccccc2c1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001203989507 1027787398 /nfs/dbraw/zinc/78/73/98/1027787398.db2.gz ZSXDTRIWJGWPAL-RTWAWAEBSA-N 2 1 390.531 3.536 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC001211277440 1027883922 /nfs/dbraw/zinc/88/39/22/1027883922.db2.gz RRPOUPVNANZYDW-VWPQPMDRSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001211277440 1027883947 /nfs/dbraw/zinc/88/39/47/1027883947.db2.gz RRPOUPVNANZYDW-VWPQPMDRSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001211277440 1027883965 /nfs/dbraw/zinc/88/39/65/1027883965.db2.gz RRPOUPVNANZYDW-VWPQPMDRSA-N 2 1 388.600 3.705 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1O ZINC001204126683 1027898143 /nfs/dbraw/zinc/89/81/43/1027898143.db2.gz LMHJCGDUVBPTAA-NHCUHLMSSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1O ZINC001204126683 1027898168 /nfs/dbraw/zinc/89/81/68/1027898168.db2.gz LMHJCGDUVBPTAA-NHCUHLMSSA-N 2 1 396.531 3.753 20 0 GHADMP Cc1ccc(-c2ccc(C[NH+]3CCC([NH+]4CCC(C(N)=O)CC4)CC3)cc2)cc1 ZINC001142310041 1028659446 /nfs/dbraw/zinc/65/94/46/1028659446.db2.gz OJNOTNQMKZVKHV-UHFFFAOYSA-N 2 1 391.559 3.824 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001142587684 1029112297 /nfs/dbraw/zinc/11/22/97/1029112297.db2.gz YZRWJWRANRICJQ-ZRZAMGCNSA-N 2 1 378.516 3.736 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001142587684 1029112302 /nfs/dbraw/zinc/11/23/02/1029112302.db2.gz YZRWJWRANRICJQ-ZRZAMGCNSA-N 2 1 378.516 3.736 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001142587684 1029112308 /nfs/dbraw/zinc/11/23/08/1029112308.db2.gz YZRWJWRANRICJQ-ZRZAMGCNSA-N 2 1 378.516 3.736 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001142587684 1029112318 /nfs/dbraw/zinc/11/23/18/1029112318.db2.gz YZRWJWRANRICJQ-ZRZAMGCNSA-N 2 1 378.516 3.736 20 0 GHADMP Clc1cc(C[NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)cs1 ZINC001142769148 1029405329 /nfs/dbraw/zinc/40/53/29/1029405329.db2.gz PIUQJOYLZDVLBR-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP Clc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cs1 ZINC001142769148 1029405337 /nfs/dbraw/zinc/40/53/37/1029405337.db2.gz PIUQJOYLZDVLBR-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679366 1029484649 /nfs/dbraw/zinc/48/46/49/1029484649.db2.gz LYRJAVXREZZHOI-KNQAVFIVSA-N 2 1 386.486 3.959 20 0 GHADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679366 1029484655 /nfs/dbraw/zinc/48/46/55/1029484655.db2.gz LYRJAVXREZZHOI-KNQAVFIVSA-N 2 1 386.486 3.959 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c(C)cc(OC)cc3C)CC2)C1 ZINC001142933669 1029713876 /nfs/dbraw/zinc/71/38/76/1029713876.db2.gz ZEPAAMZVMLZOIJ-LJQANCHMSA-N 2 1 388.552 3.552 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cc(OC)cc3C)CC2)C1 ZINC001142933669 1029713881 /nfs/dbraw/zinc/71/38/81/1029713881.db2.gz ZEPAAMZVMLZOIJ-LJQANCHMSA-N 2 1 388.552 3.552 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccn3ccnc13)CC2 ZINC001142952087 1029727769 /nfs/dbraw/zinc/72/77/69/1029727769.db2.gz FSNUPTMSQDDRKU-JOCHJYFZSA-N 2 1 390.531 3.590 20 0 GHADMP CN1c2ccc(C[N@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)cc2CCC1=O ZINC000843106825 1029812048 /nfs/dbraw/zinc/81/20/48/1029812048.db2.gz COCSMQZWQPORBU-VWNXMTODSA-N 2 1 391.559 3.768 20 0 GHADMP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000843312719 1029907797 /nfs/dbraw/zinc/90/77/97/1029907797.db2.gz INZWYISTCQSVIR-RBBKRZOGSA-N 2 1 378.520 3.896 20 0 GHADMP COc1cc2c(cc1NC(=O)C[N@H+]1CCC3(C1)CC[NH2+]CC3)oc1ccccc12 ZINC000843364576 1029942627 /nfs/dbraw/zinc/94/26/27/1029942627.db2.gz IIFUQZVZMYISJC-UHFFFAOYSA-N 2 1 393.487 3.609 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001222116049 1029969952 /nfs/dbraw/zinc/96/99/52/1029969952.db2.gz YENHRUBAAJLEQX-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001222116049 1029969955 /nfs/dbraw/zinc/96/99/55/1029969955.db2.gz YENHRUBAAJLEQX-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001222116049 1029969957 /nfs/dbraw/zinc/96/99/57/1029969957.db2.gz YENHRUBAAJLEQX-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP c1[nH]c2ccc(OCc3ccccc3)cc2c1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181609 1029990096 /nfs/dbraw/zinc/99/00/96/1029990096.db2.gz PYEGFEOIEOJIAR-UHFFFAOYSA-N 2 1 391.515 3.701 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccccc1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC001222226406 1030019132 /nfs/dbraw/zinc/01/91/32/1030019132.db2.gz RTDLNQLGPPLIAW-JOCHJYFZSA-N 2 1 396.506 4.000 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001222496386 1030167826 /nfs/dbraw/zinc/16/78/26/1030167826.db2.gz QISVWZCRUKJEOJ-VXKWHMMOSA-N 2 1 388.600 3.981 20 0 GHADMP c1cc2cc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cnc2[nH]1 ZINC001222582963 1030211167 /nfs/dbraw/zinc/21/11/67/1030211167.db2.gz IQKOHKXEBQXOKD-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1nn2ccccc2c1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590033 1030213955 /nfs/dbraw/zinc/21/39/55/1030213955.db2.gz CLYDPZNJJLWVND-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1nn2ccccc2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590033 1030213969 /nfs/dbraw/zinc/21/39/69/1030213969.db2.gz CLYDPZNJJLWVND-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596144 1030222595 /nfs/dbraw/zinc/22/25/95/1030222595.db2.gz QQVMLYQBEXPNGA-RPWUZVMVSA-N 2 1 375.560 3.730 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001149825046 1030315583 /nfs/dbraw/zinc/31/55/83/1030315583.db2.gz HBZXZCQZPYHBJZ-QFIPXVFZSA-N 2 1 389.559 3.807 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001149825046 1030315599 /nfs/dbraw/zinc/31/55/99/1030315599.db2.gz HBZXZCQZPYHBJZ-QFIPXVFZSA-N 2 1 389.559 3.807 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001223444049 1030576256 /nfs/dbraw/zinc/57/62/56/1030576256.db2.gz LTAZNBQDMMEZKV-RBUKOAKNSA-N 2 1 392.613 3.647 20 0 GHADMP Fc1ccc2c(c1)nc(O[C@H]1CC[N@@H+](Cc3ccccc3)C1)n2C1CC[NH2+]CC1 ZINC001217946479 1030680803 /nfs/dbraw/zinc/68/08/03/1030680803.db2.gz OBUBZEBNXOQVII-FQEVSTJZSA-N 2 1 394.494 3.753 20 0 GHADMP C[C@H]1C[NH2+]CCC[C@H]1Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001217993365 1030711353 /nfs/dbraw/zinc/71/13/53/1030711353.db2.gz WCNBWISMZHSGPT-NYSBEXSLSA-N 2 1 378.516 3.911 20 0 GHADMP C[NH+](C)CC[C@H](Oc1ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC001218303710 1030881000 /nfs/dbraw/zinc/88/10/00/1030881000.db2.gz CLABUHCYJIQYAG-VXKWHMMOSA-N 2 1 398.547 3.970 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001218441593 1030938101 /nfs/dbraw/zinc/93/81/01/1030938101.db2.gz LJFJBWJYBDUVTN-XXTHSBEZSA-N 2 1 394.515 3.539 20 0 GHADMP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001151820576 1031015887 /nfs/dbraw/zinc/01/58/87/1031015887.db2.gz UFHMEEFLYIWGFX-QHCPKHFHSA-N 2 1 397.522 3.728 20 0 GHADMP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001151820576 1031015896 /nfs/dbraw/zinc/01/58/96/1031015896.db2.gz UFHMEEFLYIWGFX-QHCPKHFHSA-N 2 1 397.522 3.728 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)[C@@H](C)OC(C)(C)C ZINC001218883040 1031132355 /nfs/dbraw/zinc/13/23/55/1031132355.db2.gz BJTCCSYBYHONNG-APWZRJJASA-N 2 1 386.540 3.785 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224962866 1031193579 /nfs/dbraw/zinc/19/35/79/1031193579.db2.gz YTKLRTGYMBAGIM-ZODMCCGTSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001224962866 1031193588 /nfs/dbraw/zinc/19/35/88/1031193588.db2.gz YTKLRTGYMBAGIM-ZODMCCGTSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001224962866 1031193598 /nfs/dbraw/zinc/19/35/98/1031193598.db2.gz YTKLRTGYMBAGIM-ZODMCCGTSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224962866 1031193606 /nfs/dbraw/zinc/19/36/06/1031193606.db2.gz YTKLRTGYMBAGIM-ZODMCCGTSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224962866 1031193624 /nfs/dbraw/zinc/19/36/24/1031193624.db2.gz YTKLRTGYMBAGIM-ZODMCCGTSA-N 2 1 394.559 3.815 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1 ZINC001219027828 1031219475 /nfs/dbraw/zinc/21/94/75/1031219475.db2.gz DRXWFUNWLGQTDL-JOCHJYFZSA-N 2 1 381.520 3.970 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccco1 ZINC001225321376 1031348616 /nfs/dbraw/zinc/34/86/16/1031348616.db2.gz NANTXCVSMROWMM-CTNGQTDRSA-N 2 1 398.551 3.751 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[NH+]1CCc2ccccc2C1 ZINC001225791663 1031609282 /nfs/dbraw/zinc/60/92/82/1031609282.db2.gz KVRDYKRCYOFTIN-XXBNENTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001225791663 1031609290 /nfs/dbraw/zinc/60/92/90/1031609290.db2.gz KVRDYKRCYOFTIN-XXBNENTESA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001225791663 1031609307 /nfs/dbraw/zinc/60/93/07/1031609307.db2.gz KVRDYKRCYOFTIN-XXBNENTESA-N 2 1 398.595 3.530 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1)c1ccccc1 ZINC001219787566 1031619415 /nfs/dbraw/zinc/61/94/15/1031619415.db2.gz GWLCSFKXKDGWBT-OFNKIYASSA-N 2 1 396.579 3.577 20 0 GHADMP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001220162122 1031809301 /nfs/dbraw/zinc/80/93/01/1031809301.db2.gz HRNGPYPHBYTGKK-SYYKKAFVSA-N 2 1 389.971 3.591 20 0 GHADMP C[C@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001220195012 1031830119 /nfs/dbraw/zinc/83/01/19/1031830119.db2.gz MNVZARASQJZHBO-ROUUACIJSA-N 2 1 385.556 3.846 20 0 GHADMP C[C@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001220195012 1031830133 /nfs/dbraw/zinc/83/01/33/1031830133.db2.gz MNVZARASQJZHBO-ROUUACIJSA-N 2 1 385.556 3.846 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2c1CC[NH+](Cc1ccccc1)C2 ZINC001156928628 1033322831 /nfs/dbraw/zinc/32/28/31/1033322831.db2.gz LMGUDSXHUBMIDF-IBGZPJMESA-N 2 1 379.552 3.711 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNc1ncnc2c1CC[NH+](Cc1ccccc1)C2 ZINC001156928628 1033322846 /nfs/dbraw/zinc/32/28/46/1033322846.db2.gz LMGUDSXHUBMIDF-IBGZPJMESA-N 2 1 379.552 3.711 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001156928628 1033322859 /nfs/dbraw/zinc/32/28/59/1033322859.db2.gz LMGUDSXHUBMIDF-IBGZPJMESA-N 2 1 379.552 3.711 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001156928628 1033322875 /nfs/dbraw/zinc/32/28/75/1033322875.db2.gz LMGUDSXHUBMIDF-IBGZPJMESA-N 2 1 379.552 3.711 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001205305124 1033350422 /nfs/dbraw/zinc/35/04/22/1033350422.db2.gz RCXAGBCWWGPFPX-YLJYHZDGSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001205305124 1033350443 /nfs/dbraw/zinc/35/04/43/1033350443.db2.gz RCXAGBCWWGPFPX-YLJYHZDGSA-N 2 1 384.520 3.700 20 0 GHADMP CC[NH+]1CCC(C[N@@H+]2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001205341067 1033370719 /nfs/dbraw/zinc/37/07/19/1033370719.db2.gz STNJXEUCVYPSLW-QFIPXVFZSA-N 2 1 382.552 3.594 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCOC[C@H]2c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001205341067 1033370734 /nfs/dbraw/zinc/37/07/34/1033370734.db2.gz STNJXEUCVYPSLW-QFIPXVFZSA-N 2 1 382.552 3.594 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)c(I)c2)CC1 ZINC001205581505 1033478071 /nfs/dbraw/zinc/47/80/71/1033478071.db2.gz UWKHVNADLUEQJN-AWEZNQCLSA-N 2 1 396.675 3.598 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)c(I)c2)CC1 ZINC001205581505 1033478078 /nfs/dbraw/zinc/47/80/78/1033478078.db2.gz UWKHVNADLUEQJN-AWEZNQCLSA-N 2 1 396.675 3.598 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001229454255 1033490019 /nfs/dbraw/zinc/49/00/19/1033490019.db2.gz MPYXYLHWZUSRCW-UNMCSNQZSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001229454255 1033490025 /nfs/dbraw/zinc/49/00/25/1033490025.db2.gz MPYXYLHWZUSRCW-UNMCSNQZSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001229454255 1033490029 /nfs/dbraw/zinc/49/00/29/1033490029.db2.gz MPYXYLHWZUSRCW-UNMCSNQZSA-N 2 1 388.600 3.851 20 0 GHADMP C[N@@H+](Cc1cccc(COc2ccccc2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001205685314 1033530516 /nfs/dbraw/zinc/53/05/16/1033530516.db2.gz SKPQRIJQKCSBLA-XMMPIXPASA-N 2 1 393.575 3.866 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001229569968 1033563197 /nfs/dbraw/zinc/56/31/97/1033563197.db2.gz PZKZVTASINUDPZ-TUNNFDKTSA-N 2 1 388.600 3.974 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001229569968 1033563202 /nfs/dbraw/zinc/56/32/02/1033563202.db2.gz PZKZVTASINUDPZ-TUNNFDKTSA-N 2 1 388.600 3.974 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001229569968 1033563214 /nfs/dbraw/zinc/56/32/14/1033563214.db2.gz PZKZVTASINUDPZ-TUNNFDKTSA-N 2 1 388.600 3.974 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001229587767 1033574584 /nfs/dbraw/zinc/57/45/84/1033574584.db2.gz CKFPRVWLRBBQIX-PTUXOGIPSA-N 2 1 398.595 3.746 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc2)cc1 ZINC001205796655 1033578661 /nfs/dbraw/zinc/57/86/61/1033578661.db2.gz SMAPJXCYHCTKFO-FQEVSTJZSA-N 2 1 388.458 3.946 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc2)cc1 ZINC001205796655 1033578668 /nfs/dbraw/zinc/57/86/68/1033578668.db2.gz SMAPJXCYHCTKFO-FQEVSTJZSA-N 2 1 388.458 3.946 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC001157495276 1033619336 /nfs/dbraw/zinc/61/93/36/1033619336.db2.gz HBLPNQOSZVZRDW-MOPGFXCFSA-N 2 1 391.437 3.611 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)C1 ZINC001157495276 1033619342 /nfs/dbraw/zinc/61/93/42/1033619342.db2.gz HBLPNQOSZVZRDW-MOPGFXCFSA-N 2 1 391.437 3.611 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013143 1033685539 /nfs/dbraw/zinc/68/55/39/1033685539.db2.gz PQVJBMKNWUEVEX-KBPBESRZSA-N 2 1 377.916 3.805 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)ccc1-2 ZINC001206197798 1033761732 /nfs/dbraw/zinc/76/17/32/1033761732.db2.gz JKECBWCTKRLYLY-UXHICEINSA-N 2 1 376.472 3.735 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@@H]1F ZINC001206197809 1033761825 /nfs/dbraw/zinc/76/18/25/1033761825.db2.gz JKXDDDUKRFPZNJ-JKSUJKDBSA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@@H]1F ZINC001206197809 1033761841 /nfs/dbraw/zinc/76/18/41/1033761841.db2.gz JKXDDDUKRFPZNJ-JKSUJKDBSA-N 2 1 383.389 3.908 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ncc(Br)cc2Br)CC1 ZINC001206327093 1033798032 /nfs/dbraw/zinc/79/80/32/1033798032.db2.gz SLPXJLGTYQWJDQ-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ncc(Br)cc2Br)CC1 ZINC001206327093 1033798046 /nfs/dbraw/zinc/79/80/46/1033798046.db2.gz SLPXJLGTYQWJDQ-CQSZACIVSA-N 2 1 391.151 3.558 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c(c2)c2ccccc2n3Cc2ccccc2)C[C@H]1O ZINC001206490320 1033867774 /nfs/dbraw/zinc/86/77/74/1033867774.db2.gz AIEANNKOCVNTQP-NBGIEHNGSA-N 2 1 385.511 3.594 20 0 GHADMP CC(C)[N@@H+](Cc1c2cc(Br)ccc2nn1C)[C@@H]1CCC[NH2+]CC1 ZINC001206591016 1033917787 /nfs/dbraw/zinc/91/77/87/1033917787.db2.gz PAEDEOFDTRRMNU-OAHLLOKOSA-N 2 1 379.346 3.688 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncccc2OC)CC3)c1 ZINC001206637163 1033931277 /nfs/dbraw/zinc/93/12/77/1033931277.db2.gz MSIPHGGHIKDQKS-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H](C)[NH2+][C@@H](C)C4)c23)C1 ZINC001158184753 1033955972 /nfs/dbraw/zinc/95/59/72/1033955972.db2.gz IDNHXKCJOBHBJI-PMPSAXMXSA-N 2 1 399.608 3.599 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(C)c1 ZINC001206776451 1033978544 /nfs/dbraw/zinc/97/85/44/1033978544.db2.gz BICULTDWIZFANI-QHCPKHFHSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(C)c1 ZINC001206776451 1033978555 /nfs/dbraw/zinc/97/85/55/1033978555.db2.gz BICULTDWIZFANI-QHCPKHFHSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(C)c1 ZINC001206776451 1033978561 /nfs/dbraw/zinc/97/85/61/1033978561.db2.gz BICULTDWIZFANI-QHCPKHFHSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC001206811438 1033994950 /nfs/dbraw/zinc/99/49/50/1033994950.db2.gz UPINBEHPICVNCE-MJGOQNOKSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC001206811438 1033994956 /nfs/dbraw/zinc/99/49/56/1033994956.db2.gz UPINBEHPICVNCE-MJGOQNOKSA-N 2 1 384.520 3.842 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ncccc1F)CC2 ZINC001207028408 1034059561 /nfs/dbraw/zinc/05/95/61/1034059561.db2.gz QKQSNTAOKGVSJG-INIZCTEOSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ncccc1F)CC2 ZINC001207028408 1034059577 /nfs/dbraw/zinc/05/95/77/1034059577.db2.gz QKQSNTAOKGVSJG-INIZCTEOSA-N 2 1 375.513 3.538 20 0 GHADMP Fc1cccc(OC(F)F)c1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001207114962 1034101883 /nfs/dbraw/zinc/10/18/83/1034101883.db2.gz ZSIKBJFSVNOHQX-SJORKVTESA-N 2 1 391.437 3.776 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211102 1034178526 /nfs/dbraw/zinc/17/85/26/1034178526.db2.gz ZSGQMNVSAWFVPB-FDFHNCONSA-N 2 1 399.579 3.616 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211102 1034178531 /nfs/dbraw/zinc/17/85/31/1034178531.db2.gz ZSGQMNVSAWFVPB-FDFHNCONSA-N 2 1 399.579 3.616 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211102 1034178536 /nfs/dbraw/zinc/17/85/36/1034178536.db2.gz ZSGQMNVSAWFVPB-FDFHNCONSA-N 2 1 399.579 3.616 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158684260 1034229039 /nfs/dbraw/zinc/22/90/39/1034229039.db2.gz MYDUZALZLCUHJL-QFIPXVFZSA-N 2 1 395.576 3.985 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158681766 1034229128 /nfs/dbraw/zinc/22/91/28/1034229128.db2.gz ANIASZDZBQWJNH-FQEVSTJZSA-N 2 1 375.586 3.715 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CC[C@H]1CC=C(C)C1(C)C)CCC2 ZINC001207272953 1034229270 /nfs/dbraw/zinc/22/92/70/1034229270.db2.gz UECGZUNFWDCUNQ-LJQANCHMSA-N 2 1 386.584 3.673 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001207287343 1034238466 /nfs/dbraw/zinc/23/84/66/1034238466.db2.gz TWEMSRQHHDSSAN-DKUWSORSSA-N 2 1 399.579 3.601 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001207311876 1034258590 /nfs/dbraw/zinc/25/85/90/1034258590.db2.gz PGQSUCANCLDUTF-SFHVURJKSA-N 2 1 388.556 3.718 20 0 GHADMP Cc1cc2[nH]ccc2c(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC001158813796 1034285025 /nfs/dbraw/zinc/28/50/25/1034285025.db2.gz MFHPSZJUJZOCSX-UHFFFAOYSA-N 2 1 380.467 3.796 20 0 GHADMP COc1cccc(CC[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001207427863 1034364203 /nfs/dbraw/zinc/36/42/03/1034364203.db2.gz IFPBAFJKYJUBMH-HSZRJFAPSA-N 2 1 394.559 3.993 20 0 GHADMP COc1cccc(CC[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001207427568 1034364330 /nfs/dbraw/zinc/36/43/30/1034364330.db2.gz YTRIUSSHTFLFHQ-HXUWFJFHSA-N 2 1 384.520 3.586 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCc1ccc(F)cc1)CC2 ZINC001207512471 1034417799 /nfs/dbraw/zinc/41/77/99/1034417799.db2.gz RAIVUVDETFXNJZ-HSZRJFAPSA-N 2 1 397.538 3.766 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CCc1cccc(C)c1)CC2 ZINC001207533565 1034436127 /nfs/dbraw/zinc/43/61/27/1034436127.db2.gz APMHXLSIAOYMSD-NRFANRHFSA-N 2 1 399.604 3.997 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCc1cccc(C)c1)CC2 ZINC001207533565 1034436134 /nfs/dbraw/zinc/43/61/34/1034436134.db2.gz APMHXLSIAOYMSD-NRFANRHFSA-N 2 1 399.604 3.997 20 0 GHADMP COc1ccc(CCC[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001207577921 1034460153 /nfs/dbraw/zinc/46/01/53/1034460153.db2.gz LAASMFJOGRVCEL-OAQYLSRUSA-N 2 1 398.547 3.976 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC1CCSCC1)CC2 ZINC001207707158 1034536029 /nfs/dbraw/zinc/53/60/29/1034536029.db2.gz OWUGYQZLZZFTGN-OAQYLSRUSA-N 2 1 389.609 3.528 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770288 1034567068 /nfs/dbraw/zinc/56/70/68/1034567068.db2.gz SZBGTKNLIQWLCG-FCHUYYIVSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770288 1034567073 /nfs/dbraw/zinc/56/70/73/1034567073.db2.gz SZBGTKNLIQWLCG-FCHUYYIVSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207770288 1034567080 /nfs/dbraw/zinc/56/70/80/1034567080.db2.gz SZBGTKNLIQWLCG-FCHUYYIVSA-N 2 1 399.579 3.697 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@H]2[C@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207821634 1034599880 /nfs/dbraw/zinc/59/98/80/1034599880.db2.gz JVTDNXGVSHPNGW-WBVHZDCISA-N 2 1 389.531 3.541 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2[C@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207821634 1034599888 /nfs/dbraw/zinc/59/98/88/1034599888.db2.gz JVTDNXGVSHPNGW-WBVHZDCISA-N 2 1 389.531 3.541 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](CC3(C)CC[NH+](C)CC3)C[C@H]21 ZINC001208109658 1034739037 /nfs/dbraw/zinc/73/90/37/1034739037.db2.gz NHUUJGICMAKQFI-MJGOQNOKSA-N 2 1 382.527 3.530 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC[C@@H](C)SC)CC2 ZINC001208143614 1034753684 /nfs/dbraw/zinc/75/36/84/1034753684.db2.gz SMRFIPRDQMZECE-QUCCMNQESA-N 2 1 377.598 3.526 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1(c3ccccc3)CCOCC1)[C@H]2C ZINC001208227680 1034816244 /nfs/dbraw/zinc/81/62/44/1034816244.db2.gz UVOASJHZTINGBC-FQEVSTJZSA-N 2 1 396.579 3.848 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1(c3ccccc3)CCOCC1)[C@H]2C ZINC001208227680 1034816256 /nfs/dbraw/zinc/81/62/56/1034816256.db2.gz UVOASJHZTINGBC-FQEVSTJZSA-N 2 1 396.579 3.848 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1(c3ccccc3)CCOCC1)[C@H]2C ZINC001208227680 1034816267 /nfs/dbraw/zinc/81/62/67/1034816267.db2.gz UVOASJHZTINGBC-FQEVSTJZSA-N 2 1 396.579 3.848 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1(c3ccccc3)CCOCC1)[C@H]2C ZINC001208227680 1034816282 /nfs/dbraw/zinc/81/62/82/1034816282.db2.gz UVOASJHZTINGBC-FQEVSTJZSA-N 2 1 396.579 3.848 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231666340 1034821098 /nfs/dbraw/zinc/82/10/98/1034821098.db2.gz UBRBOXMZTNVTML-IBGZPJMESA-N 2 1 396.560 3.880 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001206673667 1034856403 /nfs/dbraw/zinc/85/64/03/1034856403.db2.gz KCGNYOFKWRLERM-FQEVSTJZSA-N 2 1 382.548 3.981 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001206673667 1034856418 /nfs/dbraw/zinc/85/64/18/1034856418.db2.gz KCGNYOFKWRLERM-FQEVSTJZSA-N 2 1 382.548 3.981 20 0 GHADMP CCCCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001231781558 1034905346 /nfs/dbraw/zinc/90/53/46/1034905346.db2.gz OOTAIPPDCBPPOT-SGNDLWITSA-N 2 1 395.595 3.994 20 0 GHADMP CCCCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001231781558 1034905347 /nfs/dbraw/zinc/90/53/47/1034905347.db2.gz OOTAIPPDCBPPOT-SGNDLWITSA-N 2 1 395.595 3.994 20 0 GHADMP CCCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001231781558 1034905355 /nfs/dbraw/zinc/90/53/55/1034905355.db2.gz OOTAIPPDCBPPOT-SGNDLWITSA-N 2 1 395.595 3.994 20 0 GHADMP CCCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)cc1 ZINC001231781558 1034905360 /nfs/dbraw/zinc/90/53/60/1034905360.db2.gz OOTAIPPDCBPPOT-SGNDLWITSA-N 2 1 395.595 3.994 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(-c5ccccc5)o4)C[C@@H]3C2)cn1 ZINC001231811196 1034923514 /nfs/dbraw/zinc/92/35/14/1034923514.db2.gz SXZUCTHBTPTHIT-RTWAWAEBSA-N 2 1 376.504 3.634 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(-c5ccccc5)o4)C[C@@H]3C2)cn1 ZINC001231811196 1034923518 /nfs/dbraw/zinc/92/35/18/1034923518.db2.gz SXZUCTHBTPTHIT-RTWAWAEBSA-N 2 1 376.504 3.634 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(-c5ccccc5)o4)C[C@@H]3C2)cn1 ZINC001231811196 1034923520 /nfs/dbraw/zinc/92/35/20/1034923520.db2.gz SXZUCTHBTPTHIT-RTWAWAEBSA-N 2 1 376.504 3.634 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(-c5ccccc5)o4)C[C@@H]3C2)cn1 ZINC001231811196 1034923525 /nfs/dbraw/zinc/92/35/25/1034923525.db2.gz SXZUCTHBTPTHIT-RTWAWAEBSA-N 2 1 376.504 3.634 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(-c5ccccc5)o4)C[C@@H]3C2)cn1 ZINC001231811196 1034923526 /nfs/dbraw/zinc/92/35/26/1034923526.db2.gz SXZUCTHBTPTHIT-RTWAWAEBSA-N 2 1 376.504 3.634 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CCN(C[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208590370 1034946677 /nfs/dbraw/zinc/94/66/77/1034946677.db2.gz CVTFSDSPGUPFAK-XMMPIXPASA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208590370 1034946681 /nfs/dbraw/zinc/94/66/81/1034946681.db2.gz CVTFSDSPGUPFAK-XMMPIXPASA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208590370 1034946686 /nfs/dbraw/zinc/94/66/86/1034946686.db2.gz CVTFSDSPGUPFAK-XMMPIXPASA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208592077 1034946888 /nfs/dbraw/zinc/94/68/88/1034946888.db2.gz CVZIXILAJPCXOV-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCCC23CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001208592975 1034947931 /nfs/dbraw/zinc/94/79/31/1034947931.db2.gz NQROVWMWVLIBKU-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP FC(F)c1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccn1 ZINC001231890261 1034970991 /nfs/dbraw/zinc/97/09/91/1034970991.db2.gz ZYGDOHLWRODOKO-UHFFFAOYSA-N 2 1 393.503 3.948 20 0 GHADMP C[C@@H](C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1)OCc1ccccc1 ZINC001208699150 1034985046 /nfs/dbraw/zinc/98/50/46/1034985046.db2.gz UUECNUGIYNXYJN-RBBKRZOGSA-N 2 1 398.547 3.940 20 0 GHADMP O=C([C@@H]1CCCC[NH2+]C1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160680215 1035033740 /nfs/dbraw/zinc/03/37/40/1035033740.db2.gz RONNZEKQLVXPOU-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013186 1035043186 /nfs/dbraw/zinc/04/31/86/1035043186.db2.gz FNAKYYQVGSSLMN-QFIPXVFZSA-N 3 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013186 1035043196 /nfs/dbraw/zinc/04/31/96/1035043196.db2.gz FNAKYYQVGSSLMN-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013186 1035043205 /nfs/dbraw/zinc/04/32/05/1035043205.db2.gz FNAKYYQVGSSLMN-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208906737 1035082827 /nfs/dbraw/zinc/08/28/27/1035082827.db2.gz VZZZLPBJMSCBDG-DEOSSOPVSA-N 2 1 385.596 3.726 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208906737 1035082836 /nfs/dbraw/zinc/08/28/36/1035082836.db2.gz VZZZLPBJMSCBDG-DEOSSOPVSA-N 2 1 385.596 3.726 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208906737 1035082844 /nfs/dbraw/zinc/08/28/44/1035082844.db2.gz VZZZLPBJMSCBDG-DEOSSOPVSA-N 2 1 385.596 3.726 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208906737 1035082852 /nfs/dbraw/zinc/08/28/52/1035082852.db2.gz VZZZLPBJMSCBDG-DEOSSOPVSA-N 2 1 385.596 3.726 20 0 GHADMP COc1ccc(C[NH+]2CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208935463 1035102360 /nfs/dbraw/zinc/10/23/60/1035102360.db2.gz JWSJRIICICEGOG-DEOSSOPVSA-N 2 1 393.575 3.725 20 0 GHADMP COc1ccc(C[NH+]2CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208935463 1035102366 /nfs/dbraw/zinc/10/23/66/1035102366.db2.gz JWSJRIICICEGOG-DEOSSOPVSA-N 2 1 393.575 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941604 1035112214 /nfs/dbraw/zinc/11/22/14/1035112214.db2.gz MRBBLHAVFGLFFP-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941604 1035112217 /nfs/dbraw/zinc/11/22/17/1035112217.db2.gz MRBBLHAVFGLFFP-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941604 1035112221 /nfs/dbraw/zinc/11/22/21/1035112221.db2.gz MRBBLHAVFGLFFP-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208942978 1035114269 /nfs/dbraw/zinc/11/42/69/1035114269.db2.gz KKVKZYBQFXZHQY-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208942978 1035114273 /nfs/dbraw/zinc/11/42/73/1035114273.db2.gz KKVKZYBQFXZHQY-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208942978 1035114279 /nfs/dbraw/zinc/11/42/79/1035114279.db2.gz KKVKZYBQFXZHQY-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948398 1035118391 /nfs/dbraw/zinc/11/83/91/1035118391.db2.gz PSYWAXLSMNJOBX-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948398 1035118393 /nfs/dbraw/zinc/11/83/93/1035118393.db2.gz PSYWAXLSMNJOBX-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948398 1035118395 /nfs/dbraw/zinc/11/83/95/1035118395.db2.gz PSYWAXLSMNJOBX-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948398 1035118398 /nfs/dbraw/zinc/11/83/98/1035118398.db2.gz PSYWAXLSMNJOBX-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950027 1035121086 /nfs/dbraw/zinc/12/10/86/1035121086.db2.gz PHYZBRARGMOWDP-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 ZINC001232144971 1035121645 /nfs/dbraw/zinc/12/16/45/1035121645.db2.gz QASSLCGATDNZCJ-QFIPXVFZSA-N 2 1 391.531 3.863 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c1 ZINC001232145047 1035122558 /nfs/dbraw/zinc/12/25/58/1035122558.db2.gz SSELUTWFTDAVQK-NRFANRHFSA-N 2 1 379.520 3.767 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)c1 ZINC001232145047 1035122562 /nfs/dbraw/zinc/12/25/62/1035122562.db2.gz SSELUTWFTDAVQK-NRFANRHFSA-N 2 1 379.520 3.767 20 0 GHADMP COc1ccnc(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001232155612 1035132972 /nfs/dbraw/zinc/13/29/72/1035132972.db2.gz POEIYPKKHRRMLU-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1ccnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001232155612 1035132981 /nfs/dbraw/zinc/13/29/81/1035132981.db2.gz POEIYPKKHRRMLU-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP O=C(NC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCCC1 ZINC001208961084 1035133140 /nfs/dbraw/zinc/13/31/40/1035133140.db2.gz YSSSSDPQZAARIY-OAQYLSRUSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(OCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001209048507 1035157960 /nfs/dbraw/zinc/15/79/60/1035157960.db2.gz XEZBROVHPBUPLM-PKTZIBPZSA-N 2 1 378.516 3.687 20 0 GHADMP O=C(OCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001209048507 1035157970 /nfs/dbraw/zinc/15/79/70/1035157970.db2.gz XEZBROVHPBUPLM-PKTZIBPZSA-N 2 1 378.516 3.687 20 0 GHADMP O=C(OCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001209048507 1035157977 /nfs/dbraw/zinc/15/79/77/1035157977.db2.gz XEZBROVHPBUPLM-PKTZIBPZSA-N 2 1 378.516 3.687 20 0 GHADMP c1cn(C2CCCC2)c2nc[nH+]c(NCC3CC[NH+](C4CCOCC4)CC3)c12 ZINC001161236186 1035187350 /nfs/dbraw/zinc/18/73/50/1035187350.db2.gz DFRNILPWNOYCBZ-UHFFFAOYSA-N 2 1 383.540 3.849 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001209296930 1035233989 /nfs/dbraw/zinc/23/39/89/1035233989.db2.gz MAYODAVCASJQQF-LJQANCHMSA-N 2 1 386.561 3.882 20 0 GHADMP C[C@@H]1CC(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)C[C@@H](C)O1 ZINC001209383594 1035264560 /nfs/dbraw/zinc/26/45/60/1035264560.db2.gz XHHJYEGBIBGEHZ-VSQYNUGQSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]1CC(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)C[C@@H](C)O1 ZINC001209383594 1035264565 /nfs/dbraw/zinc/26/45/65/1035264565.db2.gz XHHJYEGBIBGEHZ-VSQYNUGQSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]1CC(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)C[C@@H](C)O1 ZINC001209383594 1035264569 /nfs/dbraw/zinc/26/45/69/1035264569.db2.gz XHHJYEGBIBGEHZ-VSQYNUGQSA-N 2 1 390.612 3.651 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC001209452404 1035278291 /nfs/dbraw/zinc/27/82/91/1035278291.db2.gz NMAZRZBIBSDZOR-UHFFFAOYSA-N 2 1 385.474 3.579 20 0 GHADMP CC[C@H](C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209466295 1035281506 /nfs/dbraw/zinc/28/15/06/1035281506.db2.gz LEXTYOKYPXLIFP-PCCBWWKXSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209466295 1035281508 /nfs/dbraw/zinc/28/15/08/1035281508.db2.gz LEXTYOKYPXLIFP-PCCBWWKXSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209466295 1035281510 /nfs/dbraw/zinc/28/15/10/1035281510.db2.gz LEXTYOKYPXLIFP-PCCBWWKXSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209466295 1035281512 /nfs/dbraw/zinc/28/15/12/1035281512.db2.gz LEXTYOKYPXLIFP-PCCBWWKXSA-N 2 1 387.568 3.744 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC001161870489 1035318694 /nfs/dbraw/zinc/31/86/94/1035318694.db2.gz KVFPAFZRTXCYFV-UHFFFAOYSA-N 2 1 381.911 3.785 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209647865 1035342790 /nfs/dbraw/zinc/34/27/90/1035342790.db2.gz NVUMNWZLNSRVHM-NNWRFLSQSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209647865 1035342796 /nfs/dbraw/zinc/34/27/96/1035342796.db2.gz NVUMNWZLNSRVHM-NNWRFLSQSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209647865 1035342798 /nfs/dbraw/zinc/34/27/98/1035342798.db2.gz NVUMNWZLNSRVHM-NNWRFLSQSA-N 2 1 389.547 3.770 20 0 GHADMP Cc1nc2ccccn2c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209647865 1035342802 /nfs/dbraw/zinc/34/28/02/1035342802.db2.gz NVUMNWZLNSRVHM-NNWRFLSQSA-N 2 1 389.547 3.770 20 0 GHADMP Fc1ccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c[nH]c2c1 ZINC001209692919 1035357532 /nfs/dbraw/zinc/35/75/32/1035357532.db2.gz LSQHSCRLMMNVJI-UHFFFAOYSA-N 2 1 381.499 3.548 20 0 GHADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c(Br)cc1F ZINC001248195475 1035624173 /nfs/dbraw/zinc/62/41/73/1035624173.db2.gz ZGMRELCFEMSVPO-AWEZNQCLSA-N 2 1 385.281 3.678 20 0 GHADMP c1nc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc2n1[C@@H]1CCC[NH2+]CC1 ZINC001241816523 1035709166 /nfs/dbraw/zinc/70/91/66/1035709166.db2.gz IVYOAVLRGCQMHF-JOCHJYFZSA-N 2 1 390.531 3.850 20 0 GHADMP Fc1cc(-c2noc(CC34CCC[NH+]3CCC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001248335995 1035762671 /nfs/dbraw/zinc/76/26/71/1035762671.db2.gz CRSNKRZRMWDXSV-LJQANCHMSA-N 2 1 393.466 3.779 20 0 GHADMP O[C@H](C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC001246028524 1037145722 /nfs/dbraw/zinc/14/57/22/1037145722.db2.gz NRRACPFURPNSGS-DHIUTWEWSA-N 2 1 398.522 3.663 20 0 GHADMP CC(C)c1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001246057087 1037171596 /nfs/dbraw/zinc/17/15/96/1037171596.db2.gz YCMNYKLAKLFSKB-HSZRJFAPSA-N 2 1 382.548 3.804 20 0 GHADMP CC(C)c1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001246057087 1037171609 /nfs/dbraw/zinc/17/16/09/1037171609.db2.gz YCMNYKLAKLFSKB-HSZRJFAPSA-N 2 1 382.548 3.804 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001246058695 1037173496 /nfs/dbraw/zinc/17/34/96/1037173496.db2.gz KXYILDWVUUGUHY-YFXJRYMSSA-N 2 1 388.502 3.540 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC001246060565 1037173952 /nfs/dbraw/zinc/17/39/52/1037173952.db2.gz GKHVIWCPCVZVIU-SLFFLAALSA-N 2 1 394.437 3.653 20 0 GHADMP [NH3+]C1CCC([N@H+](Cc2ccccc2)C[C@H](O)CCOCc2ccccc2)CC1 ZINC001246066816 1037181117 /nfs/dbraw/zinc/18/11/17/1037181117.db2.gz SBQWYQBKISJBGV-KXTRFFEISA-N 2 1 382.548 3.726 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069684 1037182460 /nfs/dbraw/zinc/18/24/60/1037182460.db2.gz LBLJCJMDNVPOSX-HMXCVIKNSA-N 2 1 390.568 3.728 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001246072847 1037188403 /nfs/dbraw/zinc/18/84/03/1037188403.db2.gz XFGWPDXWFPHTBX-SLFFLAALSA-N 2 1 380.866 3.686 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001246072847 1037188412 /nfs/dbraw/zinc/18/84/12/1037188412.db2.gz XFGWPDXWFPHTBX-SLFFLAALSA-N 2 1 380.866 3.686 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071962 1037188463 /nfs/dbraw/zinc/18/84/63/1037188463.db2.gz WENFHSLOEBUTPQ-XXTHSBEZSA-N 2 1 391.600 3.747 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246168736 1037221982 /nfs/dbraw/zinc/22/19/82/1037221982.db2.gz GMPDTMQOSATWMY-IFMALSPDSA-N 2 1 389.559 3.552 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@H]2CC[NH2+]C3(CCCCC3)C2)c2ccccc12 ZINC001246247731 1037252149 /nfs/dbraw/zinc/25/21/49/1037252149.db2.gz XKHCLYMZYPBMRN-PGRDOPGGSA-N 2 1 383.536 3.702 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256116 1037257072 /nfs/dbraw/zinc/25/70/72/1037257072.db2.gz MTJFSGVGHLYMBL-RBDMOPTHSA-N 2 1 382.504 3.600 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246280621 1037273084 /nfs/dbraw/zinc/27/30/84/1037273084.db2.gz QVCNDMNRMSMEEL-ZVDOUQERSA-N 2 1 376.903 3.774 20 0 GHADMP [NH3+][C@H](C[NH2+]C1CCN(c2ccc(Br)cc2)CC1)Cc1ccccc1 ZINC001246299280 1037282787 /nfs/dbraw/zinc/28/27/87/1037282787.db2.gz IRCFYLHZVPLBRP-SFHVURJKSA-N 2 1 388.353 3.578 20 0 GHADMP C[C@@H]1C[C@H](NC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246392207 1037352379 /nfs/dbraw/zinc/35/23/79/1037352379.db2.gz RALCQIZAUGFJKT-XXBNENTESA-N 2 1 381.539 3.743 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[NH2+]C(C)(C)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246397621 1037356679 /nfs/dbraw/zinc/35/66/79/1037356679.db2.gz SKEHZBKFMQLSBR-OXTHUFEASA-N 2 1 399.535 3.575 20 0 GHADMP Clc1cccc(CC2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[NH2+]CC2)c1 ZINC001246430329 1037389204 /nfs/dbraw/zinc/38/92/04/1037389204.db2.gz TZZIMQMHTGBPJP-FRIKZZABSA-N 3 1 387.999 4.000 20 0 GHADMP FC(F)(F)c1cccc(C2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246430865 1037390653 /nfs/dbraw/zinc/39/06/53/1037390653.db2.gz PZETZACSOSYIOV-OALUTQOASA-N 2 1 381.486 3.796 20 0 GHADMP c1ccc(C[NH+]2CCC([NH2+]CC3(Cc4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246435588 1037396248 /nfs/dbraw/zinc/39/62/48/1037396248.db2.gz JDMHMSYNEDOEAU-UHFFFAOYSA-N 3 1 377.576 3.853 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246436055 1037399674 /nfs/dbraw/zinc/39/96/74/1037399674.db2.gz WMFNHGVDDPWPEQ-GOSISDBHSA-N 3 1 383.502 3.692 20 0 GHADMP CN1CCC[C@@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246436055 1037399694 /nfs/dbraw/zinc/39/96/94/1037399694.db2.gz WMFNHGVDDPWPEQ-GOSISDBHSA-N 2 1 383.502 3.692 20 0 GHADMP Cc1cccc2c1CC[C@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1)C2 ZINC001246486836 1037432787 /nfs/dbraw/zinc/43/27/87/1037432787.db2.gz PVVUNJWTFALQLT-JTHBVZDNSA-N 2 1 380.532 3.683 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246535851 1037469714 /nfs/dbraw/zinc/46/97/14/1037469714.db2.gz MPMAAUTXWSLQKF-BCEPOAEJSA-N 2 1 375.560 3.681 20 0 GHADMP C[C@@H]1CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CC[C@@H]1C[NH3+] ZINC001246557888 1037480387 /nfs/dbraw/zinc/48/03/87/1037480387.db2.gz LQZPHTYVYGBBCF-HZPDHXFCSA-N 2 1 380.374 3.725 20 0 GHADMP CCOC(=O)CC[C@H](C)[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617824 1037507897 /nfs/dbraw/zinc/50/78/97/1037507897.db2.gz GWUWRWKVRWLAOV-FPOVZHCZSA-N 2 1 388.552 3.522 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)cc1 ZINC001462192906 1070070879 /nfs/dbraw/zinc/07/08/79/1070070879.db2.gz QSDUYCLUEZDZCW-QGZVFWFLSA-N 2 1 385.499 3.729 20 0 GHADMP C[C@H]1C[C@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)C[N@@H+]1Cc1ccccc1 ZINC001246639499 1037522837 /nfs/dbraw/zinc/52/28/37/1037522837.db2.gz OTTJHEQLEJLPAR-REWPJTCUSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@H]1C[C@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)C[N@H+]1Cc1ccccc1 ZINC001246639499 1037522857 /nfs/dbraw/zinc/52/28/57/1037522857.db2.gz OTTJHEQLEJLPAR-REWPJTCUSA-N 2 1 375.560 3.786 20 0 GHADMP CC[C@H]1CC[C@H](C2CCC([N@@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)CC2)CC1 ZINC001246670061 1037537181 /nfs/dbraw/zinc/53/71/81/1037537181.db2.gz VUXCOHKGKSEKJD-NNEBYKKGSA-N 2 1 378.601 3.843 20 0 GHADMP CC[C@H]1CC[C@H](C2CCC([N@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)CC2)CC1 ZINC001246670061 1037537192 /nfs/dbraw/zinc/53/71/92/1037537192.db2.gz VUXCOHKGKSEKJD-NNEBYKKGSA-N 2 1 378.601 3.843 20 0 GHADMP c1ccc(CN2CCC([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673433 1037540250 /nfs/dbraw/zinc/54/02/50/1037540250.db2.gz OGOFBMZDAAJJJN-AOYPEHQESA-N 2 1 389.587 3.904 20 0 GHADMP c1ccc(CN2CCC([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673433 1037540260 /nfs/dbraw/zinc/54/02/60/1037540260.db2.gz OGOFBMZDAAJJJN-AOYPEHQESA-N 2 1 389.587 3.904 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001246673425 1037540930 /nfs/dbraw/zinc/54/09/30/1037540930.db2.gz MLKKRVDLLSAMIK-KMRPREKFSA-N 2 1 375.560 3.871 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+]([C@H](C)Cc3ccc(Cl)cc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001246681793 1037546042 /nfs/dbraw/zinc/54/60/42/1037546042.db2.gz JALCEAQAGMZMFE-IIMJZQEZSA-N 2 1 399.362 3.789 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246686609 1037547995 /nfs/dbraw/zinc/54/79/95/1037547995.db2.gz RZQVBNMWWUMXFW-NIDLKEISSA-N 2 1 392.543 3.873 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)C2 ZINC001246688404 1037551179 /nfs/dbraw/zinc/55/11/79/1037551179.db2.gz ZFNSIFVJVSPFLA-VSKRKVRLSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)C2 ZINC001246688404 1037551202 /nfs/dbraw/zinc/55/12/02/1037551202.db2.gz ZFNSIFVJVSPFLA-VSKRKVRLSA-N 2 1 397.360 3.995 20 0 GHADMP CCCC[C@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702406 1037556760 /nfs/dbraw/zinc/55/67/60/1037556760.db2.gz OKFCVXDTQCOLPE-VQTJNVASSA-N 2 1 391.625 3.726 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@@H+](C2CCC4(CC[NH2+]CC4)CC2)CC3)cs1 ZINC001246708753 1037561646 /nfs/dbraw/zinc/56/16/46/1037561646.db2.gz KUFWSOZDFIDEDE-UHFFFAOYSA-N 2 1 382.577 3.918 20 0 GHADMP CCCC[C@H]1C[C@H](N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246713648 1037565667 /nfs/dbraw/zinc/56/56/67/1037565667.db2.gz GJOWFKHKWXNEMF-JITRPMOWSA-N 2 1 389.584 3.502 20 0 GHADMP CCCC[C@H]1C[C@H](N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246713648 1037565689 /nfs/dbraw/zinc/56/56/89/1037565689.db2.gz GJOWFKHKWXNEMF-JITRPMOWSA-N 2 1 389.584 3.502 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)C[C@H](CC)[NH2+]1 ZINC001246720447 1037571640 /nfs/dbraw/zinc/57/16/40/1037571640.db2.gz MCUBWRVHJLWUCL-STAYPELNSA-N 2 1 397.607 3.853 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN([C@@H]2CC[NH2+][C@H](C(C)C)C2)CC3)c1 ZINC001246740674 1037583385 /nfs/dbraw/zinc/58/33/85/1037583385.db2.gz NSBDMEMUOYYSAQ-GGAORHGYSA-N 2 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)CC3)c1 ZINC001246740674 1037583398 /nfs/dbraw/zinc/58/33/98/1037583398.db2.gz NSBDMEMUOYYSAQ-GGAORHGYSA-N 3 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CC[NH2+][C@H](C(C)C)C2)CC3)c1 ZINC001246740674 1037583409 /nfs/dbraw/zinc/58/34/09/1037583409.db2.gz NSBDMEMUOYYSAQ-GGAORHGYSA-N 3 1 385.596 3.760 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)C[C@H](CC)[NH2+]1 ZINC001246814271 1037647598 /nfs/dbraw/zinc/64/75/98/1037647598.db2.gz XJRWIBQCFLSJQU-ZBNTXBBCSA-N 2 1 381.564 3.696 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246814262 1037647670 /nfs/dbraw/zinc/64/76/70/1037647670.db2.gz POXPEWCNYPZFCT-RUIUOMPFSA-N 2 1 375.601 3.704 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246814258 1037648094 /nfs/dbraw/zinc/64/80/94/1037648094.db2.gz POXPEWCNYPZFCT-JDPWZNKLSA-N 2 1 375.601 3.704 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)C[C@H](CC)[NH2+]1 ZINC001246817069 1037650346 /nfs/dbraw/zinc/65/03/46/1037650346.db2.gz IUROZEQKVSCQIB-FVQHAEBGSA-N 2 1 384.490 3.922 20 0 GHADMP C[C@H]1CC([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C[C@H](C)[NH2+]1 ZINC001246826860 1037661245 /nfs/dbraw/zinc/66/12/45/1037661245.db2.gz ZIPFHBDCNMEAEU-KBPBESRZSA-N 2 1 378.973 3.991 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C1)C2 ZINC001246882144 1037696289 /nfs/dbraw/zinc/69/62/89/1037696289.db2.gz WVRSKXGGFMXIKY-XQWURTRYSA-N 2 1 384.564 3.891 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246913041 1037720547 /nfs/dbraw/zinc/72/05/47/1037720547.db2.gz JLXXTMBTQDLKPL-SDHOMARFSA-N 2 1 377.576 3.946 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc(OC)c1OC ZINC001246937824 1037743857 /nfs/dbraw/zinc/74/38/57/1037743857.db2.gz MVXWKFWDOAXAMK-ROUUACIJSA-N 2 1 390.568 3.888 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246939289 1037745435 /nfs/dbraw/zinc/74/54/35/1037745435.db2.gz AKXGSMMKXDOCIU-OAQYLSRUSA-N 2 1 391.531 3.638 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955545 1037765257 /nfs/dbraw/zinc/76/52/57/1037765257.db2.gz NSDZIQGOYIXQCW-QAPCUYQASA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246958194 1037772522 /nfs/dbraw/zinc/77/25/22/1037772522.db2.gz COIFNXRCIUGILW-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246959230 1037775097 /nfs/dbraw/zinc/77/50/97/1037775097.db2.gz VSKBROVIFZJXFC-LJQANCHMSA-N 2 1 391.531 3.699 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246959227 1037775445 /nfs/dbraw/zinc/77/54/45/1037775445.db2.gz VSKBROVIFZJXFC-IBGZPJMESA-N 2 1 391.531 3.699 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccccc2OC)C2CC[NH2+]CC2)c1 ZINC001246959932 1037777286 /nfs/dbraw/zinc/77/72/86/1037777286.db2.gz UPSFCPGBYHWACY-GOSISDBHSA-N 2 1 396.531 3.667 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246961212 1037782750 /nfs/dbraw/zinc/78/27/50/1037782750.db2.gz JIMUZTUASIDTEW-PXNSSMCTSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246961212 1037782772 /nfs/dbraw/zinc/78/27/72/1037782772.db2.gz JIMUZTUASIDTEW-PXNSSMCTSA-N 2 1 376.516 3.810 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969396 1037793045 /nfs/dbraw/zinc/79/30/45/1037793045.db2.gz KSLUOIXJVJATJM-ZNMIVQPWSA-N 2 1 386.462 3.505 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969396 1037793057 /nfs/dbraw/zinc/79/30/57/1037793057.db2.gz KSLUOIXJVJATJM-ZNMIVQPWSA-N 2 1 386.462 3.505 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2C[NH2+]CCN2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001246974636 1037799469 /nfs/dbraw/zinc/79/94/69/1037799469.db2.gz LDILFEJNVXVTTH-SFTDATJTSA-N 2 1 389.465 3.926 20 0 GHADMP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1CCC2(CCC[NH2+]C2)CC1 ZINC001246979187 1037803998 /nfs/dbraw/zinc/80/39/98/1037803998.db2.gz XGPXESBCRSTLEX-WLXPTCNVSA-N 2 1 385.596 3.522 20 0 GHADMP Fc1cccc2nc(-c3cccc(C[NH+]4CCOCC4)c3)n(C3CC[NH2+]CC3)c21 ZINC001247028786 1037846917 /nfs/dbraw/zinc/84/69/17/1037846917.db2.gz GGXQCFXGINPISR-UHFFFAOYSA-N 2 1 394.494 3.599 20 0 GHADMP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001462219525 1070094242 /nfs/dbraw/zinc/09/42/42/1070094242.db2.gz KKTYTNGTEZQYKK-NMVJMZGASA-N 2 1 399.623 3.720 20 0 GHADMP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001462219525 1070094211 /nfs/dbraw/zinc/09/42/11/1070094211.db2.gz KKTYTNGTEZQYKK-NMVJMZGASA-N 2 1 399.623 3.720 20 0 GHADMP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001462219525 1070094227 /nfs/dbraw/zinc/09/42/27/1070094227.db2.gz KKTYTNGTEZQYKK-NMVJMZGASA-N 2 1 399.623 3.720 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(C)n1 ZINC001232312673 1038070995 /nfs/dbraw/zinc/07/09/95/1038070995.db2.gz XBVQLMWQQAZURF-UHFFFAOYSA-N 2 1 395.547 3.656 20 0 GHADMP COc1cncc(OC)c1C[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001232504796 1038276597 /nfs/dbraw/zinc/27/65/97/1038276597.db2.gz ZUPCZFRPVCLAMJ-OAQYLSRUSA-N 2 1 385.508 3.568 20 0 GHADMP COc1cncc(OC)c1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001232504796 1038276601 /nfs/dbraw/zinc/27/66/01/1038276601.db2.gz ZUPCZFRPVCLAMJ-OAQYLSRUSA-N 2 1 385.508 3.568 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncc4cnccc43)C[C@H]21 ZINC001232651807 1038443241 /nfs/dbraw/zinc/44/32/41/1038443241.db2.gz WKYQUMVPKKYRKG-DQMJNTIXSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cncc4cnccc43)C[C@H]21 ZINC001232651807 1038443243 /nfs/dbraw/zinc/44/32/43/1038443243.db2.gz WKYQUMVPKKYRKG-DQMJNTIXSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cncc4cnccc43)C[C@H]21 ZINC001232651807 1038443247 /nfs/dbraw/zinc/44/32/47/1038443247.db2.gz WKYQUMVPKKYRKG-DQMJNTIXSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cncc4cnccc43)C[C@H]21 ZINC001232651807 1038443255 /nfs/dbraw/zinc/44/32/55/1038443255.db2.gz WKYQUMVPKKYRKG-DQMJNTIXSA-N 2 1 387.531 3.757 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c2ccccc12 ZINC001247907732 1038480967 /nfs/dbraw/zinc/48/09/67/1038480967.db2.gz VQZKSXZKCHFJGD-OAHLLOKOSA-N 2 1 380.467 3.960 20 0 GHADMP Clc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1Cl ZINC001247909761 1038485667 /nfs/dbraw/zinc/48/56/67/1038485667.db2.gz PUYVTGIPIYLMRV-UHFFFAOYSA-N 2 1 381.307 3.975 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)c[nH]c21 ZINC001232709909 1038509759 /nfs/dbraw/zinc/50/97/59/1038509759.db2.gz IKMFGGPVMYVEMB-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cccc2c(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c[nH]c21 ZINC001232709909 1038509769 /nfs/dbraw/zinc/50/97/69/1038509769.db2.gz IKMFGGPVMYVEMB-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cccc2c(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH]c21 ZINC001232709909 1038509773 /nfs/dbraw/zinc/50/97/73/1038509773.db2.gz IKMFGGPVMYVEMB-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP Cc1c(Cl)nccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001232748477 1038532489 /nfs/dbraw/zinc/53/24/89/1038532489.db2.gz BXKQZJRTEPWQQV-GOSISDBHSA-N 2 1 389.927 3.892 20 0 GHADMP Cc1cc(O)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232879912 1038653415 /nfs/dbraw/zinc/65/34/15/1038653415.db2.gz FKIXINYHYIAPSU-JOCHJYFZSA-N 2 1 380.532 3.956 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)cc(O)c1)CC2 ZINC001232880462 1038656987 /nfs/dbraw/zinc/65/69/87/1038656987.db2.gz KPGBLWJWNFIJFK-JOCHJYFZSA-N 2 1 395.547 3.599 20 0 GHADMP c1nc2ccc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)cc2o1 ZINC001232942247 1038722195 /nfs/dbraw/zinc/72/21/95/1038722195.db2.gz UUWOPTHTBAZDAO-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(Cl)ncc3[O-])C[C@@H]21 ZINC001233035620 1038790465 /nfs/dbraw/zinc/79/04/65/1038790465.db2.gz HBQMVYCPMBZITB-AYOQOUSVSA-N 2 1 386.927 3.568 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ncc3[O-])C[C@@H]21 ZINC001233035620 1038790482 /nfs/dbraw/zinc/79/04/82/1038790482.db2.gz HBQMVYCPMBZITB-AYOQOUSVSA-N 2 1 386.927 3.568 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ncc3[O-])C[C@@H]21 ZINC001233035620 1038790490 /nfs/dbraw/zinc/79/04/90/1038790490.db2.gz HBQMVYCPMBZITB-AYOQOUSVSA-N 2 1 386.927 3.568 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001233098172 1038875319 /nfs/dbraw/zinc/87/53/19/1038875319.db2.gz IVJXOKLMTAJEMI-UHFFFAOYSA-N 2 1 389.927 3.916 20 0 GHADMP O[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252289613 1038926642 /nfs/dbraw/zinc/92/66/42/1038926642.db2.gz ZNCIEXRGNJMZGP-LOSJGSFVSA-N 2 1 394.559 3.552 20 0 GHADMP O[C@H](COCc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252289613 1038926654 /nfs/dbraw/zinc/92/66/54/1038926654.db2.gz ZNCIEXRGNJMZGP-LOSJGSFVSA-N 2 1 394.559 3.552 20 0 GHADMP O[C@H](COCc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252289613 1038926658 /nfs/dbraw/zinc/92/66/58/1038926658.db2.gz ZNCIEXRGNJMZGP-LOSJGSFVSA-N 2 1 394.559 3.552 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C)c(O)c4)CC3)C2)c1 ZINC001233231108 1038992240 /nfs/dbraw/zinc/99/22/40/1038992240.db2.gz JPDAMHLQMTYISJ-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C)c(O)c4)CC3)C2)c1 ZINC001233231108 1038992269 /nfs/dbraw/zinc/99/22/69/1038992269.db2.gz JPDAMHLQMTYISJ-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001278669230 1039005522 /nfs/dbraw/zinc/00/55/22/1039005522.db2.gz MWJYZMIZXCMMRU-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001278669230 1039005539 /nfs/dbraw/zinc/00/55/39/1039005539.db2.gz MWJYZMIZXCMMRU-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)sn1 ZINC001233310802 1039102265 /nfs/dbraw/zinc/10/22/65/1039102265.db2.gz WFJBNHLIVBDJEZ-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP CCOC(=O)c1ccnc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001233328242 1039120937 /nfs/dbraw/zinc/12/09/37/1039120937.db2.gz ARAFMBJJVUBZAM-VXKWHMMOSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001233328242 1039120951 /nfs/dbraw/zinc/12/09/51/1039120951.db2.gz ARAFMBJJVUBZAM-VXKWHMMOSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001233328242 1039120961 /nfs/dbraw/zinc/12/09/61/1039120961.db2.gz ARAFMBJJVUBZAM-VXKWHMMOSA-N 2 1 393.531 3.602 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3nccn31)CC2 ZINC001233362236 1039188918 /nfs/dbraw/zinc/18/89/18/1039188918.db2.gz UEGAHXBDSWHIHU-QFIPXVFZSA-N 2 1 390.531 3.590 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@]3(O)CCN(Cc4ccccc4)C3)C2)cc1 ZINC001252932886 1039270263 /nfs/dbraw/zinc/27/02/63/1039270263.db2.gz ZCJGWUCRTHDTNA-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001252932886 1039270274 /nfs/dbraw/zinc/27/02/74/1039270274.db2.gz ZCJGWUCRTHDTNA-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001252932886 1039270286 /nfs/dbraw/zinc/27/02/86/1039270286.db2.gz ZCJGWUCRTHDTNA-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@@H]2CCC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001252932886 1039270298 /nfs/dbraw/zinc/27/02/98/1039270298.db2.gz ZCJGWUCRTHDTNA-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@@H]2CCC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001252932886 1039270309 /nfs/dbraw/zinc/27/03/09/1039270309.db2.gz ZCJGWUCRTHDTNA-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP Oc1ccc([C@@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949308 1039294160 /nfs/dbraw/zinc/29/41/60/1039294160.db2.gz JOORSBJCRXTGIR-DQEYMECFSA-N 2 1 388.511 3.708 20 0 GHADMP Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cc1Br ZINC001278702722 1039469653 /nfs/dbraw/zinc/46/96/53/1039469653.db2.gz SXSUSQPNFPHCMJ-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)cc1Br ZINC001278702722 1039469663 /nfs/dbraw/zinc/46/96/63/1039469663.db2.gz SXSUSQPNFPHCMJ-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(OCc2ccccc2)c1 ZINC001233641159 1039503356 /nfs/dbraw/zinc/50/33/56/1039503356.db2.gz YXCMIJYKSQCLAK-UHFFFAOYSA-N 2 1 393.575 3.786 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)CNc1ccc([NH+]2CCCCC2)cc1N1CCCCC1 ZINC001253399403 1039600884 /nfs/dbraw/zinc/60/08/84/1039600884.db2.gz ZTEWCKZXQJGQPJ-FQEVSTJZSA-N 2 1 388.600 3.828 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001253830821 1039838964 /nfs/dbraw/zinc/83/89/64/1039838964.db2.gz RGAKBWKMWWCZES-UKILVPOCSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001253830821 1039838987 /nfs/dbraw/zinc/83/89/87/1039838987.db2.gz RGAKBWKMWWCZES-UKILVPOCSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001253830821 1039839010 /nfs/dbraw/zinc/83/90/10/1039839010.db2.gz RGAKBWKMWWCZES-UKILVPOCSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001253830821 1039839025 /nfs/dbraw/zinc/83/90/25/1039839025.db2.gz RGAKBWKMWWCZES-UKILVPOCSA-N 2 1 394.559 3.723 20 0 GHADMP CCCC[NH+](CCCC)CCNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049848 1039974736 /nfs/dbraw/zinc/97/47/36/1039974736.db2.gz ORXFRLKMOFLJQI-UHFFFAOYSA-N 2 1 375.601 3.505 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C4CCC(F)(F)CC4)CC3)C2)c1 ZINC001254220857 1040076493 /nfs/dbraw/zinc/07/64/93/1040076493.db2.gz VSGQEEJWMGXHSX-UHFFFAOYSA-N 2 1 394.506 3.940 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C4CCC(F)(F)CC4)CC3)C2)c1 ZINC001254220857 1040076499 /nfs/dbraw/zinc/07/64/99/1040076499.db2.gz VSGQEEJWMGXHSX-UHFFFAOYSA-N 2 1 394.506 3.940 20 0 GHADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462443383 1070255657 /nfs/dbraw/zinc/25/56/57/1070255657.db2.gz RAWNPHGDWYNKTQ-MOPGFXCFSA-N 2 1 397.563 3.838 20 0 GHADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462443383 1070255670 /nfs/dbraw/zinc/25/56/70/1070255670.db2.gz RAWNPHGDWYNKTQ-MOPGFXCFSA-N 2 1 397.563 3.838 20 0 GHADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462443404 1070256029 /nfs/dbraw/zinc/25/60/29/1070256029.db2.gz RAWNPHGDWYNKTQ-RBUKOAKNSA-N 2 1 397.563 3.838 20 0 GHADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462443404 1070256035 /nfs/dbraw/zinc/25/60/35/1070256035.db2.gz RAWNPHGDWYNKTQ-RBUKOAKNSA-N 2 1 397.563 3.838 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]C2(c3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254513442 1040289839 /nfs/dbraw/zinc/28/98/39/1040289839.db2.gz ZHVMYMXSLXVXHF-HXUWFJFHSA-N 2 1 387.568 3.987 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cccc3c1ccn3C)CC2 ZINC001235020336 1040510572 /nfs/dbraw/zinc/51/05/72/1040510572.db2.gz SFDWVTWQNDXWBR-UHFFFAOYSA-N 2 1 375.516 3.824 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cccc3c1ccn3C)CC2 ZINC001235020336 1040510576 /nfs/dbraw/zinc/51/05/76/1040510576.db2.gz SFDWVTWQNDXWBR-UHFFFAOYSA-N 2 1 375.516 3.824 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235022281 1040514984 /nfs/dbraw/zinc/51/49/84/1040514984.db2.gz NBXVPWQNISLJRY-QHCPKHFHSA-N 2 1 383.511 3.796 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235022281 1040514989 /nfs/dbraw/zinc/51/49/89/1040514989.db2.gz NBXVPWQNISLJRY-QHCPKHFHSA-N 2 1 383.511 3.796 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001254757768 1040519175 /nfs/dbraw/zinc/51/91/75/1040519175.db2.gz CJHIAAIRRXCRAX-LEWJYISDSA-N 2 1 399.579 3.888 20 0 GHADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254788584 1040547660 /nfs/dbraw/zinc/54/76/60/1040547660.db2.gz ZSVGAGAKCQCBRH-UHFFFAOYSA-N 2 1 376.545 3.825 20 0 GHADMP Brc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC001235092219 1040581530 /nfs/dbraw/zinc/58/15/30/1040581530.db2.gz IADNXLBSJIFOKJ-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2CC4CCN(CC4)C2)CC3)c1 ZINC001254855811 1040600557 /nfs/dbraw/zinc/60/05/57/1040600557.db2.gz ANKHPRHDIOWYCZ-QHCPKHFHSA-N 2 1 397.607 3.858 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC001254871756 1040616881 /nfs/dbraw/zinc/61/68/81/1040616881.db2.gz VCQOODTYCRYLFJ-UHFFFAOYSA-N 2 1 377.573 3.773 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1I ZINC001235153972 1040645181 /nfs/dbraw/zinc/64/51/81/1040645181.db2.gz GTSGNMJFIBECFE-GOSISDBHSA-N 2 1 398.332 3.954 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235156147 1040647772 /nfs/dbraw/zinc/64/77/72/1040647772.db2.gz NBWAQRRXUBKNJO-GOSISDBHSA-N 2 1 396.373 3.985 20 0 GHADMP CC1(C)CCC(c2ccc(C[N@@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)cc2)CC1 ZINC001235194399 1040684450 /nfs/dbraw/zinc/68/44/50/1040684450.db2.gz UZDRFXPTQXQCHL-XMMPIXPASA-N 2 1 386.580 3.951 20 0 GHADMP CC1(C)CCC(c2ccc(C[N@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)cc2)CC1 ZINC001235194399 1040684456 /nfs/dbraw/zinc/68/44/56/1040684456.db2.gz UZDRFXPTQXQCHL-XMMPIXPASA-N 2 1 386.580 3.951 20 0 GHADMP COc1ccc2c(C[NH3+])cn(C3C[C@@H]4COC[C@H](C3)[N@H+]4Cc3ccccc3)c2c1 ZINC001254995063 1040715417 /nfs/dbraw/zinc/71/54/17/1040715417.db2.gz JOCHRWLBKSPZAQ-SEJPIABJSA-N 2 1 391.515 3.713 20 0 GHADMP [NH3+]Cc1cc2cccc(F)c2n1C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254999164 1040719971 /nfs/dbraw/zinc/71/99/71/1040719971.db2.gz BWASOFLAPGTMTA-VCSGRIEYSA-N 2 1 379.479 3.844 20 0 GHADMP COC(=O)c1ccc2c(C[N@@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)c[nH]c2c1 ZINC001235249698 1040730772 /nfs/dbraw/zinc/73/07/72/1040730772.db2.gz VDOCFDUWDGUYMJ-ZJSXRUAMSA-N 2 1 389.499 3.676 20 0 GHADMP COC(=O)c1ccc2c(C[N@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)c[nH]c2c1 ZINC001235249698 1040730785 /nfs/dbraw/zinc/73/07/85/1040730785.db2.gz VDOCFDUWDGUYMJ-ZJSXRUAMSA-N 2 1 389.499 3.676 20 0 GHADMP Cc1ccc(-c2cccc(C[NH+]3CCC([NH+]4CCC(C(N)=O)CC4)CC3)c2)cc1 ZINC001235316988 1040789487 /nfs/dbraw/zinc/78/94/87/1040789487.db2.gz UYUHEVXMBZLGJO-UHFFFAOYSA-N 2 1 391.559 3.824 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc(Cl)c1F)C2 ZINC001235325073 1040794496 /nfs/dbraw/zinc/79/44/96/1040794496.db2.gz OVIHOCUFYXAKNU-LAUBAEHRSA-N 2 1 394.918 3.624 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CCCN([C@H]4CC[N@H+](Cc5ccccc5)C4)[C@H]3C2)cc1 ZINC001255112011 1040796295 /nfs/dbraw/zinc/79/62/95/1040796295.db2.gz HRMPUECUJXVCRT-DSITVLBTSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001255112011 1040796306 /nfs/dbraw/zinc/79/63/06/1040796306.db2.gz HRMPUECUJXVCRT-DSITVLBTSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001255112011 1040796317 /nfs/dbraw/zinc/79/63/17/1040796317.db2.gz HRMPUECUJXVCRT-DSITVLBTSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccc(OC4COC4)c2)C3)cc1 ZINC001255127501 1040820968 /nfs/dbraw/zinc/82/09/68/1040820968.db2.gz XSTHAVGGTHLZLH-KOUNCHBCSA-N 2 1 378.516 3.749 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235356465 1040835355 /nfs/dbraw/zinc/83/53/55/1040835355.db2.gz XWHVZPLZAHYFHG-DNQXCXABSA-N 2 1 380.532 3.681 20 0 GHADMP COCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC001255135271 1040835753 /nfs/dbraw/zinc/83/57/53/1040835753.db2.gz IFEFAQIMDJDYME-BKFWDETESA-N 2 1 376.544 3.956 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)nc1 ZINC001235360429 1040843620 /nfs/dbraw/zinc/84/36/20/1040843620.db2.gz CCAFWZIYUVAZQW-ICSRJNTNSA-N 2 1 375.438 3.854 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)nc1 ZINC001235360429 1040843637 /nfs/dbraw/zinc/84/36/37/1040843637.db2.gz CCAFWZIYUVAZQW-ICSRJNTNSA-N 2 1 375.438 3.854 20 0 GHADMP CC(C)(C)C(=O)NC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150832 1040870126 /nfs/dbraw/zinc/87/01/26/1040870126.db2.gz PBNVHKYYPQWIHG-ZBYYUNFXSA-N 2 1 383.580 3.809 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235369094 1040871127 /nfs/dbraw/zinc/87/11/27/1040871127.db2.gz PHBPXLRBRWNKCS-GLKRBJQHSA-N 2 1 395.252 3.965 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235369094 1040871136 /nfs/dbraw/zinc/87/11/36/1040871136.db2.gz PHBPXLRBRWNKCS-GLKRBJQHSA-N 2 1 395.252 3.965 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1=O ZINC001255151127 1040873007 /nfs/dbraw/zinc/87/30/07/1040873007.db2.gz SRSIJQHBGKTPKS-NUNAXRQHSA-N 2 1 395.591 3.905 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@H+](Cc2cccc(-c4ccccn4)n2)CC3)cc1 ZINC001235379554 1040898796 /nfs/dbraw/zinc/89/87/96/1040898796.db2.gz HCWRNYISIMZTAA-SQJMNOBHSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2cccc(-c4ccccn4)n2)CC3)cc1 ZINC001235379554 1040898815 /nfs/dbraw/zinc/89/88/15/1040898815.db2.gz HCWRNYISIMZTAA-SQJMNOBHSA-N 2 1 384.527 3.897 20 0 GHADMP Oc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OCC1CC1 ZINC001235383445 1040903275 /nfs/dbraw/zinc/90/32/75/1040903275.db2.gz PJWYTBZTORBQFX-DHLKQENFSA-N 2 1 392.543 3.934 20 0 GHADMP Oc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OCC1CC1 ZINC001235383445 1040903280 /nfs/dbraw/zinc/90/32/80/1040903280.db2.gz PJWYTBZTORBQFX-DHLKQENFSA-N 2 1 392.543 3.934 20 0 GHADMP Ic1sccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428102 1040929649 /nfs/dbraw/zinc/92/96/49/1040929649.db2.gz OSHPSPFQPCNVFY-QWHCGFSZSA-N 2 1 390.334 3.564 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)CC1CC[NH2+]CC1 ZINC001235431702 1040933088 /nfs/dbraw/zinc/93/30/88/1040933088.db2.gz BDRLZZUKBBGQKX-UHFFFAOYSA-N 2 1 381.236 3.779 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN(CC[C@@H]4CCCC[NH2+]4)CC3)CC2)c1 ZINC001235500739 1040963651 /nfs/dbraw/zinc/96/36/51/1040963651.db2.gz AMEFPINTEBFCAB-QFIPXVFZSA-N 2 1 385.596 3.905 20 0 GHADMP c1ccc(CN2CCO[C@@H](C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255380949 1040972094 /nfs/dbraw/zinc/97/20/94/1040972094.db2.gz NFORWBMKKIZDHL-RPBOFIJWSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CCN(c4ccccn4)CC3)CC2)cc1 ZINC001255390155 1040977782 /nfs/dbraw/zinc/97/77/82/1040977782.db2.gz ZKKUTKCJRNBWMN-QHCPKHFHSA-N 2 1 378.564 3.942 20 0 GHADMP O=C(Cc1ccccc1)N1CCC[C@@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1 ZINC001235533605 1040978503 /nfs/dbraw/zinc/97/85/03/1040978503.db2.gz GEONPHRIQFZXGF-VWLOTQADSA-N 2 1 397.607 3.856 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255390714 1040978674 /nfs/dbraw/zinc/97/86/74/1040978674.db2.gz JWWUZCGRINIJJB-VWLOTQADSA-N 3 1 392.591 3.938 20 0 GHADMP c1ccc(CN2CCC[C@H]([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255390714 1040978678 /nfs/dbraw/zinc/97/86/78/1040978678.db2.gz JWWUZCGRINIJJB-VWLOTQADSA-N 2 1 392.591 3.938 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391970 1040980792 /nfs/dbraw/zinc/98/07/92/1040980792.db2.gz WMROCKIKZPQAAA-JOCHJYFZSA-N 2 1 393.575 4.000 20 0 GHADMP O=C(CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC001255392837 1040981245 /nfs/dbraw/zinc/98/12/45/1040981245.db2.gz ISALWYIGHMJADS-QFIPXVFZSA-N 2 1 377.532 3.610 20 0 GHADMP CN(C)C(=O)Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255398160 1040984362 /nfs/dbraw/zinc/98/43/62/1040984362.db2.gz SNWNCYJACZXREZ-DEOSSOPVSA-N 2 1 393.575 3.504 20 0 GHADMP COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255398931 1040985094 /nfs/dbraw/zinc/98/50/94/1040985094.db2.gz NBFLABURSUNRIX-JOCHJYFZSA-N 2 1 399.579 3.986 20 0 GHADMP COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255398931 1040985097 /nfs/dbraw/zinc/98/50/97/1040985097.db2.gz NBFLABURSUNRIX-JOCHJYFZSA-N 2 1 399.579 3.986 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255398406 1040985605 /nfs/dbraw/zinc/98/56/05/1040985605.db2.gz TZXYJCHHRJWAGU-RBBKRZOGSA-N 2 1 380.532 3.891 20 0 GHADMP c1nn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c2ccc(N3CC[NH2+]CC3)cc12 ZINC001255403286 1040990946 /nfs/dbraw/zinc/99/09/46/1040990946.db2.gz CUAPOBNGAKDJEN-JOCHJYFZSA-N 2 1 389.547 3.673 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255407528 1040994672 /nfs/dbraw/zinc/99/46/72/1040994672.db2.gz BCAFTVQEAKFHRL-DEOSSOPVSA-N 2 1 393.575 3.868 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255407528 1040994676 /nfs/dbraw/zinc/99/46/76/1040994676.db2.gz BCAFTVQEAKFHRL-DEOSSOPVSA-N 2 1 393.575 3.868 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc(C)n1 ZINC001255409586 1040997021 /nfs/dbraw/zinc/99/70/21/1040997021.db2.gz IKCJWKDKIWBOCI-JOCHJYFZSA-N 2 1 393.579 3.707 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC001255409586 1040997023 /nfs/dbraw/zinc/99/70/23/1040997023.db2.gz IKCJWKDKIWBOCI-JOCHJYFZSA-N 3 1 393.579 3.707 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC001255409586 1040997033 /nfs/dbraw/zinc/99/70/33/1040997033.db2.gz IKCJWKDKIWBOCI-JOCHJYFZSA-N 3 1 393.579 3.707 20 0 GHADMP O=C(NC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)N1CCCCC1 ZINC001255410247 1040999112 /nfs/dbraw/zinc/99/91/12/1040999112.db2.gz SESUZPXINFADSR-QHCPKHFHSA-N 2 1 398.595 3.701 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(C[C@H]([NH3+])Cc2ccccc2)CC3)c1 ZINC001235591204 1041005329 /nfs/dbraw/zinc/00/53/29/1041005329.db2.gz IGNKJPOVXGSQFY-HSZRJFAPSA-N 2 1 393.575 3.553 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H](N)Cc2ccccc2)CC3)c1 ZINC001235591204 1041005349 /nfs/dbraw/zinc/00/53/49/1041005349.db2.gz IGNKJPOVXGSQFY-HSZRJFAPSA-N 2 1 393.575 3.553 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H](N)Cc2ccccc2)CC3)c1 ZINC001235591204 1041005382 /nfs/dbraw/zinc/00/53/82/1041005382.db2.gz IGNKJPOVXGSQFY-HSZRJFAPSA-N 2 1 393.575 3.553 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001255594300 1041154767 /nfs/dbraw/zinc/15/47/67/1041154767.db2.gz KAKSDOIPLKBXTA-SFHVURJKSA-N 2 1 393.959 3.685 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001255596028 1041154828 /nfs/dbraw/zinc/15/48/28/1041154828.db2.gz SOZCCSJGDMJYFP-QGZVFWFLSA-N 2 1 393.959 3.685 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@@H](C)CC(F)(F)F)CC1 ZINC001255655965 1041196397 /nfs/dbraw/zinc/19/63/97/1041196397.db2.gz ZPMMLGILIUHOSN-INIZCTEOSA-N 2 1 397.485 3.578 20 0 GHADMP Cn1ccc(C[N@@H+]2CCCC23CCN([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC3)n1 ZINC001255716541 1041242507 /nfs/dbraw/zinc/24/25/07/1041242507.db2.gz MVZAIIPXJHHULT-SJLPKXTDSA-N 2 1 384.490 3.972 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C1CC[NH2+]CC1 ZINC001235764946 1041256738 /nfs/dbraw/zinc/25/67/38/1041256738.db2.gz TWYTWSBCSYKKRS-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP CC[N@@H+](Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C1CC[NH2+]CC1 ZINC001235764946 1041256752 /nfs/dbraw/zinc/25/67/52/1041256752.db2.gz TWYTWSBCSYKKRS-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001255743976 1041266688 /nfs/dbraw/zinc/26/66/88/1041266688.db2.gz XNPWEFVCQLESGG-SFGWALBWSA-N 2 1 392.584 3.987 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001255743976 1041266699 /nfs/dbraw/zinc/26/66/99/1041266699.db2.gz XNPWEFVCQLESGG-SFGWALBWSA-N 2 1 392.584 3.987 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001255743976 1041266713 /nfs/dbraw/zinc/26/67/13/1041266713.db2.gz XNPWEFVCQLESGG-SFGWALBWSA-N 2 1 392.584 3.987 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCc3csc(C)n3)CC[C@H]21 ZINC001255962206 1041442625 /nfs/dbraw/zinc/44/26/25/1041442625.db2.gz HOPPBHJVJVYQAI-QYRPDUKASA-N 2 1 395.613 3.710 20 0 GHADMP COCC[N@@H+](Cc1c[nH]c2c1cccc2OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235945839 1041451110 /nfs/dbraw/zinc/45/11/10/1041451110.db2.gz XIOYUCHSJMKWAC-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP Fc1ccc(-n2cc(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001235973493 1041478013 /nfs/dbraw/zinc/47/80/13/1041478013.db2.gz FWHPCTKPOVBFIL-UHFFFAOYSA-N 2 1 376.479 3.648 20 0 GHADMP Cc1nc(Br)ccc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235978363 1041482644 /nfs/dbraw/zinc/48/26/44/1041482644.db2.gz SIAIKDBKBMTMRV-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1nc(Br)ccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235978363 1041482655 /nfs/dbraw/zinc/48/26/55/1041482655.db2.gz SIAIKDBKBMTMRV-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Fc1cc(C(F)(F)F)cnc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235978863 1041483634 /nfs/dbraw/zinc/48/36/34/1041483634.db2.gz KVRJYLKQXRNMFD-UHFFFAOYSA-N 2 1 379.401 3.877 20 0 GHADMP Fc1cc(C(F)(F)F)cnc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235978863 1041483640 /nfs/dbraw/zinc/48/36/40/1041483640.db2.gz KVRJYLKQXRNMFD-UHFFFAOYSA-N 2 1 379.401 3.877 20 0 GHADMP CCCN(C(=O)NCC[NH+]1CCC[C@@H]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001256034211 1041484999 /nfs/dbraw/zinc/48/49/99/1041484999.db2.gz WSGFWYNBTMSPKT-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@@H+]1CCC[C@@H]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001256034211 1041485018 /nfs/dbraw/zinc/48/50/18/1041485018.db2.gz WSGFWYNBTMSPKT-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@H+]1CCC[C@@H]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001256034211 1041485038 /nfs/dbraw/zinc/48/50/38/1041485038.db2.gz WSGFWYNBTMSPKT-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc(OC(F)(F)F)c1 ZINC001236008901 1041500246 /nfs/dbraw/zinc/50/02/46/1041500246.db2.gz HKTPMVXEBGQGAE-QUCCMNQESA-N 2 1 376.422 3.867 20 0 GHADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc(OC(F)(F)F)c1 ZINC001236008901 1041500256 /nfs/dbraw/zinc/50/02/56/1041500256.db2.gz HKTPMVXEBGQGAE-QUCCMNQESA-N 2 1 376.422 3.867 20 0 GHADMP Fc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cn2)c(F)c1 ZINC001236010009 1041502161 /nfs/dbraw/zinc/50/21/61/1041502161.db2.gz JGYTVUZQCKWMRJ-DVECYGJZSA-N 2 1 391.465 4.000 20 0 GHADMP Fc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cn2)c(F)c1 ZINC001236010009 1041502173 /nfs/dbraw/zinc/50/21/73/1041502173.db2.gz JGYTVUZQCKWMRJ-DVECYGJZSA-N 2 1 391.465 4.000 20 0 GHADMP Brc1ccc2[nH]c(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2c1 ZINC001236011773 1041504134 /nfs/dbraw/zinc/50/41/34/1041504134.db2.gz CCZNMEIWQJBASO-UTKZUKDTSA-N 2 1 396.332 3.903 20 0 GHADMP Brc1ccc2[nH]c(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2c1 ZINC001236011773 1041504148 /nfs/dbraw/zinc/50/41/48/1041504148.db2.gz CCZNMEIWQJBASO-UTKZUKDTSA-N 2 1 396.332 3.903 20 0 GHADMP N[C@H](Cc1ccccc1)C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001236041859 1041511944 /nfs/dbraw/zinc/51/19/44/1041511944.db2.gz MPIMYJWMQOICIF-XMMPIXPASA-N 2 1 377.576 3.935 20 0 GHADMP c1nc2n(c1-c1ccccc1)CCC21CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256078982 1041512562 /nfs/dbraw/zinc/51/25/62/1041512562.db2.gz UCFQETCUIJYLLV-UHFFFAOYSA-N 2 1 376.548 3.914 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236097482 1041531746 /nfs/dbraw/zinc/53/17/46/1041531746.db2.gz KLKXQGMSKTYDIV-PZJWPPBQSA-N 2 1 384.545 3.705 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236099363 1041536156 /nfs/dbraw/zinc/53/61/56/1041536156.db2.gz XUEPKFGTMWWWGN-DHIUTWEWSA-N 2 1 378.516 3.644 20 0 GHADMP COC(=O)C[C@@H](C)[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)Cc1ccccc1 ZINC001236144726 1041567660 /nfs/dbraw/zinc/56/76/60/1041567660.db2.gz SGWRHLSJAFXWGZ-GOSISDBHSA-N 2 1 391.515 3.698 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC001236146290 1041568681 /nfs/dbraw/zinc/56/86/81/1041568681.db2.gz XZGXORJFSJZKCR-DHIUTWEWSA-N 2 1 381.564 3.552 20 0 GHADMP C[C@H](c1ccccc1)[N@H+](C[C@H]1[C@H](C)C[NH2+]CC1(F)F)[C@@H]1CN2CCC1CC2 ZINC001236159743 1041583607 /nfs/dbraw/zinc/58/36/07/1041583607.db2.gz XNRNOYBGQQAWBI-SGLNWRHMSA-N 2 1 377.523 3.635 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@H]1[C@H](C)C[NH2+]CC1(F)F)[C@@H]1CN2CCC1CC2 ZINC001236159743 1041583645 /nfs/dbraw/zinc/58/36/45/1041583645.db2.gz XNRNOYBGQQAWBI-SGLNWRHMSA-N 2 1 377.523 3.635 20 0 GHADMP COc1cc(C[N@@H+](C)[C@H]2CC[C@H]([NH3+])CC2)c(OCc2ccccc2)cc1OC ZINC001236222068 1041630076 /nfs/dbraw/zinc/63/00/76/1041630076.db2.gz KTFVECCIBXGKTI-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3c2cccc3OC)C2CC[NH2+]CC2)cc1 ZINC001236446036 1041716216 /nfs/dbraw/zinc/71/62/16/1041716216.db2.gz KFKARHDKJFVTCG-UHFFFAOYSA-N 2 1 379.504 3.939 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cccc(I)c1)C1CC[NH2+]CC1 ZINC001236458897 1041721329 /nfs/dbraw/zinc/72/13/29/1041721329.db2.gz ZWPDAYMVQQSVDK-UHFFFAOYSA-N 2 1 386.321 3.891 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C1CC[NH2+]CC1 ZINC001236457775 1041721639 /nfs/dbraw/zinc/72/16/39/1041721639.db2.gz OAUHTSFIXZUFDS-UHFFFAOYSA-N 2 1 383.330 3.778 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](Cc1c[nH]c(Br)c1)C1CC[NH2+]CC1 ZINC001236521685 1041752681 /nfs/dbraw/zinc/75/26/81/1041752681.db2.gz PCXKYDBYKDMJAC-UHFFFAOYSA-N 2 1 380.305 3.979 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](Cc1c[nH]c(Br)c1)C1CC[NH2+]CC1 ZINC001236521685 1041752683 /nfs/dbraw/zinc/75/26/83/1041752683.db2.gz PCXKYDBYKDMJAC-UHFFFAOYSA-N 2 1 380.305 3.979 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(O)c(F)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544278 1041757471 /nfs/dbraw/zinc/75/74/71/1041757471.db2.gz KFJABHXNCIFXOE-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(O)c(F)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544278 1041757475 /nfs/dbraw/zinc/75/74/75/1041757475.db2.gz KFJABHXNCIFXOE-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(c(Br)c2)OCO3)CC2CC2)CC1 ZINC001236553428 1041759534 /nfs/dbraw/zinc/75/95/34/1041759534.db2.gz YMURABWJWJJSOO-SHTZXODSSA-N 2 1 381.314 3.660 20 0 GHADMP COc1cc(OC)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1Br ZINC001236553170 1041759809 /nfs/dbraw/zinc/75/98/09/1041759809.db2.gz ONFGSGIVXFNWLW-WKILWMFISA-N 2 1 397.357 3.948 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565157 1041764903 /nfs/dbraw/zinc/76/49/03/1041764903.db2.gz WSGVPLJHRWYINO-MXVIHJGJSA-N 3 1 399.608 3.586 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462563798 1070369903 /nfs/dbraw/zinc/36/99/03/1070369903.db2.gz IYRICBWXXINVAS-HMXCVIKNSA-N 2 1 385.552 3.954 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462563798 1070369924 /nfs/dbraw/zinc/36/99/24/1070369924.db2.gz IYRICBWXXINVAS-HMXCVIKNSA-N 2 1 385.552 3.954 20 0 GHADMP CCOc1ncc(Br)cc1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236576140 1041766991 /nfs/dbraw/zinc/76/69/91/1041766991.db2.gz BZIRKIOTZPDPJP-JCNLHEQBSA-N 2 1 382.346 3.867 20 0 GHADMP Cc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)cc(C)c1I ZINC001236606947 1041778412 /nfs/dbraw/zinc/77/84/12/1041778412.db2.gz YQQNGGANDBUWCL-OAHLLOKOSA-N 2 1 398.332 3.872 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2ccc(-n3ccnn3)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723724 1041857381 /nfs/dbraw/zinc/85/73/81/1041857381.db2.gz WRHDOMPADYISQP-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2ccccc2-n2cncn2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729913 1041861086 /nfs/dbraw/zinc/86/10/86/1041861086.db2.gz YIFVICZXLIZIIV-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CCN(Cc3cccc4ccoc43)CC2)C1 ZINC001236742448 1041868494 /nfs/dbraw/zinc/86/84/94/1041868494.db2.gz KXAOUNXEPWARRU-LJQANCHMSA-N 2 1 399.535 3.996 20 0 GHADMP CCC[N@H+](Cc1cc(C)c(I)c(C)c1)C[C@@H]1CC[NH2+]C1 ZINC001236843601 1041925400 /nfs/dbraw/zinc/92/54/00/1041925400.db2.gz KWBFEWGXHARXPH-OAHLLOKOSA-N 2 1 386.321 3.730 20 0 GHADMP Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)cn2)c1C ZINC001236980836 1041977114 /nfs/dbraw/zinc/97/71/14/1041977114.db2.gz BZNZNZTYABDJQH-BJKOFHAPSA-N 2 1 378.564 3.576 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2ccccc2Cl)nc1 ZINC001237021011 1041993796 /nfs/dbraw/zinc/99/37/96/1041993796.db2.gz MDAKKMNTPADTDA-FCHUYYIVSA-N 2 1 384.955 3.612 20 0 GHADMP Oc1cc2ccccc2c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001237068149 1042019575 /nfs/dbraw/zinc/01/95/75/1042019575.db2.gz DIJOSNJXHMQEBM-UHFFFAOYSA-N 2 1 390.531 3.786 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1ccc(C3CCC3)cc1)CCC2 ZINC001237106558 1042040428 /nfs/dbraw/zinc/04/04/28/1042040428.db2.gz ZKUKKCYXKCOWCN-UHFFFAOYSA-N 2 1 382.552 3.635 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc3cccccc2-3)CC1 ZINC001237184307 1042082720 /nfs/dbraw/zinc/08/27/20/1042082720.db2.gz UWBUBIBATKAWAY-DNQXCXABSA-N 2 1 391.559 3.699 20 0 GHADMP C[N@@H+](Cc1c(Br)cccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC001237245363 1042105597 /nfs/dbraw/zinc/10/55/97/1042105597.db2.gz JCFPZXOTHAPIMN-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP C[N@H+](Cc1c(Br)cccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC001237245363 1042105601 /nfs/dbraw/zinc/10/56/01/1042105601.db2.gz JCFPZXOTHAPIMN-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccc(N4CC[NH2+]CC4)c3)CC[C@@H]1N2 ZINC001237248555 1042107166 /nfs/dbraw/zinc/10/71/66/1042107166.db2.gz OWKICNANUHMHSF-UNMCSNQZSA-N 2 1 382.939 3.533 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCC12C[NH2+]C2 ZINC001237429172 1042204549 /nfs/dbraw/zinc/20/45/49/1042204549.db2.gz DNVJSINCTISQJH-NRFANRHFSA-N 2 1 398.934 3.982 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCC12C[NH2+]C2 ZINC001237431402 1042205087 /nfs/dbraw/zinc/20/50/87/1042205087.db2.gz RXDCVXUNPLCNKR-GOSISDBHSA-N 2 1 388.895 3.575 20 0 GHADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001237458756 1042217198 /nfs/dbraw/zinc/21/71/98/1042217198.db2.gz RWRHZHMVLSDQPI-DHIUTWEWSA-N 2 1 383.580 3.717 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001237480318 1042227309 /nfs/dbraw/zinc/22/73/09/1042227309.db2.gz VQMYRUDVSGGSCW-UHFFFAOYSA-N 2 1 392.543 3.890 20 0 GHADMP COc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001237706274 1042334713 /nfs/dbraw/zinc/33/47/13/1042334713.db2.gz BPKUHIBTSOWFCC-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001237706274 1042334719 /nfs/dbraw/zinc/33/47/19/1042334719.db2.gz BPKUHIBTSOWFCC-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001237706274 1042334725 /nfs/dbraw/zinc/33/47/25/1042334725.db2.gz BPKUHIBTSOWFCC-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001237706274 1042334731 /nfs/dbraw/zinc/33/47/31/1042334731.db2.gz BPKUHIBTSOWFCC-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cncc(C3CC3)c1)CC2 ZINC001238185397 1042512229 /nfs/dbraw/zinc/51/22/29/1042512229.db2.gz QDDISRJFDWHDOJ-QHCPKHFHSA-N 2 1 392.547 3.610 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cncc(C3CC3)c1)CC2 ZINC001238185923 1042513061 /nfs/dbraw/zinc/51/30/61/1042513061.db2.gz VEBTZGOFDASJMG-OAQYLSRUSA-N 2 1 381.520 3.808 20 0 GHADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1C1CC1 ZINC001238501975 1042621539 /nfs/dbraw/zinc/62/15/39/1042621539.db2.gz PRTCUIJFOUGSKK-ZJSXRUAMSA-N 2 1 395.522 3.821 20 0 GHADMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc(C)c1I ZINC001238732513 1042705959 /nfs/dbraw/zinc/70/59/59/1042705959.db2.gz OMLYFFOGGIMRHC-UHFFFAOYSA-N 2 1 398.332 3.826 20 0 GHADMP Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001239214246 1042787361 /nfs/dbraw/zinc/78/73/61/1042787361.db2.gz GTIDUYCCKUIFTC-OAQYLSRUSA-N 2 1 392.547 3.618 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cc1 ZINC001291584982 1043350640 /nfs/dbraw/zinc/35/06/40/1043350640.db2.gz HTHVNJSQLCCMEG-IERDGZPVSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)cc1 ZINC001291584982 1043350650 /nfs/dbraw/zinc/35/06/50/1043350650.db2.gz HTHVNJSQLCCMEG-IERDGZPVSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)cc1 ZINC001291584982 1043350664 /nfs/dbraw/zinc/35/06/64/1043350664.db2.gz HTHVNJSQLCCMEG-IERDGZPVSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)cc1 ZINC001291584982 1043350675 /nfs/dbraw/zinc/35/06/75/1043350675.db2.gz HTHVNJSQLCCMEG-IERDGZPVSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)cc1 ZINC001291584982 1043350691 /nfs/dbraw/zinc/35/06/91/1043350691.db2.gz HTHVNJSQLCCMEG-IERDGZPVSA-N 2 1 381.524 3.803 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256529955 1043462002 /nfs/dbraw/zinc/46/20/02/1043462002.db2.gz ZGYHDVBQWGJCJC-KIFXHHALSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256529955 1043462016 /nfs/dbraw/zinc/46/20/16/1043462016.db2.gz ZGYHDVBQWGJCJC-KIFXHHALSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@@H](NC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530925 1043464330 /nfs/dbraw/zinc/46/43/30/1043464330.db2.gz FWSPVBFHPIKZGG-YKSBVNFPSA-N 2 1 385.596 3.520 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256532304 1043466540 /nfs/dbraw/zinc/46/65/40/1043466540.db2.gz XKTANRUEXCPQDV-DFQSSKMNSA-N 2 1 393.531 3.764 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256532304 1043466545 /nfs/dbraw/zinc/46/65/45/1043466545.db2.gz XKTANRUEXCPQDV-DFQSSKMNSA-N 2 1 393.531 3.764 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535252 1043477183 /nfs/dbraw/zinc/47/71/83/1043477183.db2.gz YJNXKDQLNIHKCJ-UNMCSNQZSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256535252 1043477192 /nfs/dbraw/zinc/47/71/92/1043477192.db2.gz YJNXKDQLNIHKCJ-UNMCSNQZSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536090 1043478148 /nfs/dbraw/zinc/47/81/48/1043478148.db2.gz CDYYYBQNVOHPQO-VXSCBNMQSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256536090 1043478157 /nfs/dbraw/zinc/47/81/57/1043478157.db2.gz CDYYYBQNVOHPQO-VXSCBNMQSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536090 1043478163 /nfs/dbraw/zinc/47/81/63/1043478163.db2.gz CDYYYBQNVOHPQO-VXSCBNMQSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536090 1043478167 /nfs/dbraw/zinc/47/81/67/1043478167.db2.gz CDYYYBQNVOHPQO-VXSCBNMQSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256536089 1043478245 /nfs/dbraw/zinc/47/82/45/1043478245.db2.gz CDYYYBQNVOHPQO-RYFAJOAYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256536089 1043478259 /nfs/dbraw/zinc/47/82/59/1043478259.db2.gz CDYYYBQNVOHPQO-RYFAJOAYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536089 1043478263 /nfs/dbraw/zinc/47/82/63/1043478263.db2.gz CDYYYBQNVOHPQO-RYFAJOAYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256536089 1043478281 /nfs/dbraw/zinc/47/82/81/1043478281.db2.gz CDYYYBQNVOHPQO-RYFAJOAYSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536351 1043481894 /nfs/dbraw/zinc/48/18/94/1043481894.db2.gz DMSBOLLZBNKUTM-WIOPSUGQSA-N 3 1 399.623 3.864 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536351 1043481907 /nfs/dbraw/zinc/48/19/07/1043481907.db2.gz DMSBOLLZBNKUTM-WIOPSUGQSA-N 3 1 399.623 3.864 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256540439 1043490971 /nfs/dbraw/zinc/49/09/71/1043490971.db2.gz HQLPXZJFQWUJFN-HZEGPAAWSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256540439 1043490977 /nfs/dbraw/zinc/49/09/77/1043490977.db2.gz HQLPXZJFQWUJFN-HZEGPAAWSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256540439 1043490979 /nfs/dbraw/zinc/49/09/79/1043490979.db2.gz HQLPXZJFQWUJFN-HZEGPAAWSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256540439 1043490984 /nfs/dbraw/zinc/49/09/84/1043490984.db2.gz HQLPXZJFQWUJFN-HZEGPAAWSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542627 1043496124 /nfs/dbraw/zinc/49/61/24/1043496124.db2.gz PNHBUOWCGIDFHS-PSWRPDDJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256542627 1043496130 /nfs/dbraw/zinc/49/61/30/1043496130.db2.gz PNHBUOWCGIDFHS-PSWRPDDJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542627 1043496138 /nfs/dbraw/zinc/49/61/38/1043496138.db2.gz PNHBUOWCGIDFHS-PSWRPDDJSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256542627 1043496146 /nfs/dbraw/zinc/49/61/46/1043496146.db2.gz PNHBUOWCGIDFHS-PSWRPDDJSA-N 2 1 399.579 3.981 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256547251 1043506243 /nfs/dbraw/zinc/50/62/43/1043506243.db2.gz RPPOYBZBHXTESA-JDNQWYDXSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256547251 1043506256 /nfs/dbraw/zinc/50/62/56/1043506256.db2.gz RPPOYBZBHXTESA-JDNQWYDXSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256547251 1043506276 /nfs/dbraw/zinc/50/62/76/1043506276.db2.gz RPPOYBZBHXTESA-JDNQWYDXSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256547251 1043506296 /nfs/dbraw/zinc/50/62/96/1043506296.db2.gz RPPOYBZBHXTESA-JDNQWYDXSA-N 2 1 396.535 3.726 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548595 1043509473 /nfs/dbraw/zinc/50/94/73/1043509473.db2.gz BLSVGBIULVUZDS-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548595 1043509486 /nfs/dbraw/zinc/50/94/86/1043509486.db2.gz BLSVGBIULVUZDS-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548595 1043509491 /nfs/dbraw/zinc/50/94/91/1043509491.db2.gz BLSVGBIULVUZDS-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548595 1043509503 /nfs/dbraw/zinc/50/95/03/1043509503.db2.gz BLSVGBIULVUZDS-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552221 1043515973 /nfs/dbraw/zinc/51/59/73/1043515973.db2.gz ZUYGTNZTSWNOJY-ISKFKSNPSA-N 2 1 393.575 3.736 20 0 GHADMP C[C@@H]1C[C@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552221 1043515983 /nfs/dbraw/zinc/51/59/83/1043515983.db2.gz ZUYGTNZTSWNOJY-ISKFKSNPSA-N 2 1 393.575 3.736 20 0 GHADMP COc1cccnc1N(C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256553119 1043520517 /nfs/dbraw/zinc/52/05/17/1043520517.db2.gz DYRXVKWJOZXAMR-SIKLNZKXSA-N 2 1 394.563 3.702 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001256557640 1043530294 /nfs/dbraw/zinc/53/02/94/1043530294.db2.gz NXEIJMLIMAMZKQ-CTNGQTDRSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001256557640 1043530298 /nfs/dbraw/zinc/53/02/98/1043530298.db2.gz NXEIJMLIMAMZKQ-CTNGQTDRSA-N 2 1 380.536 3.681 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC1 ZINC001256566017 1043539325 /nfs/dbraw/zinc/53/93/25/1043539325.db2.gz HYLUXRRHHKYSNG-UHFFFAOYSA-N 2 1 381.499 3.888 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(C1CC[NH+](C(C)(C)C)CC1)CC2 ZINC001256573349 1043546587 /nfs/dbraw/zinc/54/65/87/1043546587.db2.gz NINPJRLSSWQGEI-HXUWFJFHSA-N 2 1 389.584 3.598 20 0 GHADMP c1ccc(C[NH+]2CCC([NH2+]CC3(Cc4ccncc4)CCOCC3)CC2)cc1 ZINC001256600378 1043564403 /nfs/dbraw/zinc/56/44/03/1043564403.db2.gz FNRJAPFFGZGDGN-UHFFFAOYSA-N 2 1 379.548 3.675 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CCC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CC1 ZINC001256663466 1043605410 /nfs/dbraw/zinc/60/54/10/1043605410.db2.gz QATVBTHPDMSKQZ-UHFFFAOYSA-N 3 1 398.636 3.640 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH2+]C1CCC([NH+]2CCOCC2)CC1)C1CCCCC1 ZINC001256682436 1043619329 /nfs/dbraw/zinc/61/93/29/1043619329.db2.gz IXTXAGMXSKHXTE-MHJFOBGBSA-N 2 1 380.573 3.510 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC001256788875 1043652414 /nfs/dbraw/zinc/65/24/14/1043652414.db2.gz BTPKNOMYYZNWOW-DQEYMECFSA-N 2 1 393.575 3.834 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)CCO2)cc1 ZINC001256792339 1043653624 /nfs/dbraw/zinc/65/36/24/1043653624.db2.gz JACOEURTEZVZEV-QORCZRPOSA-N 2 1 397.607 3.835 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001292323683 1043684427 /nfs/dbraw/zinc/68/44/27/1043684427.db2.gz DEKKOZRCOQVNPA-NSISKUIASA-N 2 1 387.593 3.603 20 0 GHADMP c1ccc(OC[C@@]23CCC[C@@H]2C[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)nc1 ZINC001256859045 1043706036 /nfs/dbraw/zinc/70/60/36/1043706036.db2.gz IBHVVHICTJNURW-XXBNENTESA-N 2 1 378.520 3.627 20 0 GHADMP C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861303 1043707298 /nfs/dbraw/zinc/70/72/98/1043707298.db2.gz WKBYGXPLJOGTRU-GBXCKJPGSA-N 2 1 378.564 3.893 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861440 1043707550 /nfs/dbraw/zinc/70/75/50/1043707550.db2.gz OOQHWERDBJQGNN-PDFPEKILSA-N 2 1 386.540 3.571 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C[N@H+]2C1 ZINC001292377674 1043710084 /nfs/dbraw/zinc/71/00/84/1043710084.db2.gz GBNMDLFDYFWWDT-OIBXWCBGSA-N 2 1 383.580 3.799 20 0 GHADMP CCOC(=O)CCC[N@@H+](Cc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865500 1043710732 /nfs/dbraw/zinc/71/07/32/1043710732.db2.gz HQLHTGQTGCBYRK-UHFFFAOYSA-N 2 1 381.520 3.896 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865578 1043711014 /nfs/dbraw/zinc/71/10/14/1043711014.db2.gz LCWFBLSEFGFZEK-QFIPXVFZSA-N 2 1 388.556 3.677 20 0 GHADMP COc1ccc(Br)cc1CC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898989 1043729394 /nfs/dbraw/zinc/72/93/94/1043729394.db2.gz QOECKYKFEXFLFA-KRWDZBQOSA-N 2 1 381.358 3.997 20 0 GHADMP COc1ccc(Br)cc1CC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898989 1043729404 /nfs/dbraw/zinc/72/94/04/1043729404.db2.gz QOECKYKFEXFLFA-KRWDZBQOSA-N 2 1 381.358 3.997 20 0 GHADMP O=C(c1cccc(F)c1)N1CCC(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256906381 1043733041 /nfs/dbraw/zinc/73/30/41/1043733041.db2.gz AWCFWZROIOLQNK-OAQYLSRUSA-N 2 1 387.543 3.675 20 0 GHADMP O=C(c1cccc(F)c1)N1CCC(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256906381 1043733052 /nfs/dbraw/zinc/73/30/52/1043733052.db2.gz AWCFWZROIOLQNK-OAQYLSRUSA-N 2 1 387.543 3.675 20 0 GHADMP COC(=O)CC1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001256989307 1043787939 /nfs/dbraw/zinc/78/79/39/1043787939.db2.gz DJIXDXWJJDFGOM-CIFBLZBGSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001256989307 1043787951 /nfs/dbraw/zinc/78/79/51/1043787951.db2.gz DJIXDXWJJDFGOM-CIFBLZBGSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001256989307 1043787967 /nfs/dbraw/zinc/78/79/67/1043787967.db2.gz DJIXDXWJJDFGOM-CIFBLZBGSA-N 2 1 384.564 3.952 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001292799447 1043880668 /nfs/dbraw/zinc/88/06/68/1043880668.db2.gz IMLWMJQYPYFKRW-YJBOKZPZSA-N 2 1 387.490 3.935 20 0 GHADMP CC(C)[NH+]1CCC(n2cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001257211839 1043938862 /nfs/dbraw/zinc/93/88/62/1043938862.db2.gz OKUNWJPXYNHUDK-FQEVSTJZSA-N 2 1 385.552 3.898 20 0 GHADMP CC(C)[NH+]1CCC(N2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001257219143 1043939646 /nfs/dbraw/zinc/93/96/46/1043939646.db2.gz ZIJVDSQNYHJVSG-HXUWFJFHSA-N 3 1 391.625 3.676 20 0 GHADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001293372023 1044140543 /nfs/dbraw/zinc/14/05/43/1044140543.db2.gz NTXHYEIWNAQECZ-HXUWFJFHSA-N 2 1 393.641 3.651 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257973184 1044295327 /nfs/dbraw/zinc/29/53/27/1044295327.db2.gz KHSYMUIVKQAABA-RTWAWAEBSA-N 2 1 398.551 3.792 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC1 ZINC001258012147 1044339843 /nfs/dbraw/zinc/33/98/43/1044339843.db2.gz PWGMLMNBMIAOLC-UHFFFAOYSA-N 2 1 382.527 3.804 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC1 ZINC001258012147 1044339858 /nfs/dbraw/zinc/33/98/58/1044339858.db2.gz PWGMLMNBMIAOLC-UHFFFAOYSA-N 2 1 382.527 3.804 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258050294 1044370441 /nfs/dbraw/zinc/37/04/41/1044370441.db2.gz COWRYSGHCOOVPZ-WTGUMLROSA-N 2 1 381.605 3.978 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258050294 1044370460 /nfs/dbraw/zinc/37/04/60/1044370460.db2.gz COWRYSGHCOOVPZ-WTGUMLROSA-N 2 1 381.605 3.978 20 0 GHADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1Cl ZINC001258135680 1044420826 /nfs/dbraw/zinc/42/08/26/1044420826.db2.gz SQQWWWLYKIXCGI-UHFFFAOYSA-N 2 1 386.923 3.923 20 0 GHADMP COCCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC001258137576 1044421708 /nfs/dbraw/zinc/42/17/08/1044421708.db2.gz JVKKYOQHYHGAFU-UHFFFAOYSA-N 2 1 398.547 3.517 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC4(CC[N@@H+]4Cc4ccccc4)C3)CC2)cc1 ZINC001258142920 1044429880 /nfs/dbraw/zinc/42/98/80/1044429880.db2.gz DEKIZLAJRDMIFO-UHFFFAOYSA-N 2 1 375.560 3.654 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC4(CC[N@H+]4Cc4ccccc4)C3)CC2)cc1 ZINC001258142920 1044429894 /nfs/dbraw/zinc/42/98/94/1044429894.db2.gz DEKIZLAJRDMIFO-UHFFFAOYSA-N 2 1 375.560 3.654 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001258149285 1044439355 /nfs/dbraw/zinc/43/93/55/1044439355.db2.gz HYPRODJVDQXKEP-BJKOFHAPSA-N 2 1 392.543 3.582 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001258149285 1044439362 /nfs/dbraw/zinc/43/93/62/1044439362.db2.gz HYPRODJVDQXKEP-BJKOFHAPSA-N 2 1 392.543 3.582 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258150059 1044441115 /nfs/dbraw/zinc/44/11/15/1044441115.db2.gz VTPPWFBPTZHYOX-HSZRJFAPSA-N 2 1 379.548 3.940 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258150059 1044441123 /nfs/dbraw/zinc/44/11/23/1044441123.db2.gz VTPPWFBPTZHYOX-HSZRJFAPSA-N 2 1 379.548 3.940 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001294304692 1044576580 /nfs/dbraw/zinc/57/65/80/1044576580.db2.gz PECVHJUBGJWQHO-CVDCTZTESA-N 2 1 379.548 3.574 20 0 GHADMP C[C@H]1C[C@H](NC(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001294304693 1044577009 /nfs/dbraw/zinc/57/70/09/1044577009.db2.gz PECVHJUBGJWQHO-WMZHIEFXSA-N 2 1 379.548 3.574 20 0 GHADMP O=C1CC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001258582199 1044657232 /nfs/dbraw/zinc/65/72/32/1044657232.db2.gz AITNRVWQXWPNTL-QHCPKHFHSA-N 2 1 395.591 3.908 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588354 1044661798 /nfs/dbraw/zinc/66/17/98/1044661798.db2.gz NIEIUBPMPQZKIZ-VABKMULXSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588354 1044661802 /nfs/dbraw/zinc/66/18/02/1044661802.db2.gz NIEIUBPMPQZKIZ-VABKMULXSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588354 1044661805 /nfs/dbraw/zinc/66/18/05/1044661805.db2.gz NIEIUBPMPQZKIZ-VABKMULXSA-N 2 1 383.580 3.907 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001294552262 1044699497 /nfs/dbraw/zinc/69/94/97/1044699497.db2.gz CIXNWAQHINUFPW-DNQXCXABSA-N 2 1 397.607 3.868 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258697728 1044719594 /nfs/dbraw/zinc/71/95/94/1044719594.db2.gz SJJSMVTZMPVZHA-MJUUVYJYSA-N 2 1 375.601 3.608 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001258773911 1044759165 /nfs/dbraw/zinc/75/91/65/1044759165.db2.gz SAORABXYAKTRLL-NRFANRHFSA-N 2 1 375.582 3.551 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258911020 1044865786 /nfs/dbraw/zinc/86/57/86/1044865786.db2.gz ZAAKEZVIPAGMLY-KNQAVFIVSA-N 2 1 397.604 3.599 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)c2ccc(C[NH+]3CCCC3)o2)C[N@H+]1Cc1ccccc1 ZINC001295144498 1044930844 /nfs/dbraw/zinc/93/08/44/1044930844.db2.gz ZOWGGAFFCUPQCA-CTNGQTDRSA-N 2 1 395.547 3.906 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000483778458 1045328967 /nfs/dbraw/zinc/32/89/67/1045328967.db2.gz WDJJKAQKJZNEOS-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000483778458 1045328974 /nfs/dbraw/zinc/32/89/74/1045328974.db2.gz WDJJKAQKJZNEOS-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000483778458 1045328982 /nfs/dbraw/zinc/32/89/82/1045328982.db2.gz WDJJKAQKJZNEOS-HJNYFJLDSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC001296530342 1045333358 /nfs/dbraw/zinc/33/33/58/1045333358.db2.gz PUAFLSGELDQDNG-HNNXBMFYSA-N 2 1 382.346 3.571 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC001296530342 1045333363 /nfs/dbraw/zinc/33/33/63/1045333363.db2.gz PUAFLSGELDQDNG-HNNXBMFYSA-N 2 1 382.346 3.571 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261233160 1045932484 /nfs/dbraw/zinc/93/24/84/1045932484.db2.gz IJNIHCDBBJHUGS-KLARFABHSA-N 2 1 398.595 3.744 20 0 GHADMP O=C(OCc1cccc(C[NH+]2CCCCC2)c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001261365527 1045980882 /nfs/dbraw/zinc/98/08/82/1045980882.db2.gz QHJSSEMHKLLSEY-UHFFFAOYSA-N 2 1 376.460 3.610 20 0 GHADMP CC(C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001302699229 1047049199 /nfs/dbraw/zinc/04/91/99/1047049199.db2.gz DFBHVLQPHQLHGT-HXUWFJFHSA-N 2 1 390.620 3.585 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC001264758867 1047428747 /nfs/dbraw/zinc/42/87/47/1047428747.db2.gz AMYHGFNBILDBDY-UHFFFAOYSA-N 2 1 386.908 3.954 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1C[C@@H](C)O[C@H](C)C1)C2 ZINC001279262338 1047751056 /nfs/dbraw/zinc/75/10/56/1047751056.db2.gz DCHHOANYZBFZIF-LZJOCLMNSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1C[C@@H](C)O[C@H](C)C1)C2 ZINC001279262338 1047751059 /nfs/dbraw/zinc/75/10/59/1047751059.db2.gz DCHHOANYZBFZIF-LZJOCLMNSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1C[C@@H](C)O[C@H](C)C1)C2 ZINC001279262338 1047751064 /nfs/dbraw/zinc/75/10/64/1047751064.db2.gz DCHHOANYZBFZIF-LZJOCLMNSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1C[C@@H](C)O[C@H](C)C1)C2 ZINC001279262338 1047751068 /nfs/dbraw/zinc/75/10/68/1047751068.db2.gz DCHHOANYZBFZIF-LZJOCLMNSA-N 2 1 377.598 3.943 20 0 GHADMP Fc1cc(Cl)ccc1C[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001279399106 1047794150 /nfs/dbraw/zinc/79/41/50/1047794150.db2.gz CPSLDJKLAPSXFI-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP Fc1cc(Cl)ccc1C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279399106 1047794156 /nfs/dbraw/zinc/79/41/56/1047794156.db2.gz CPSLDJKLAPSXFI-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP Brc1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279550896 1047838534 /nfs/dbraw/zinc/83/85/34/1047838534.db2.gz FLLBCAFQACDHAA-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP Brc1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279550896 1047838539 /nfs/dbraw/zinc/83/85/39/1047838539.db2.gz FLLBCAFQACDHAA-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001279580216 1047849895 /nfs/dbraw/zinc/84/98/95/1047849895.db2.gz TYDRWBXADPGJPD-XCDJFROHSA-N 2 1 378.944 3.649 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001279580216 1047849911 /nfs/dbraw/zinc/84/99/11/1047849911.db2.gz TYDRWBXADPGJPD-XCDJFROHSA-N 2 1 378.944 3.649 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC[C@@]2(CCCN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001279590464 1047858048 /nfs/dbraw/zinc/85/80/48/1047858048.db2.gz BWYWGOLPJCKTRH-OAQYLSRUSA-N 2 1 378.630 3.717 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001279636373 1047880958 /nfs/dbraw/zinc/88/09/58/1047880958.db2.gz JNZBCBUBAGNOOM-MOPGFXCFSA-N 2 1 385.383 3.783 20 0 GHADMP COC(=O)c1c(Cl)cccc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279756474 1047942986 /nfs/dbraw/zinc/94/29/86/1047942986.db2.gz PTGJVKUVGOGIHG-UHFFFAOYSA-N 2 1 376.928 3.967 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1I ZINC001279873866 1047976494 /nfs/dbraw/zinc/97/64/94/1047976494.db2.gz GKMDIAZWMNDNFQ-UHFFFAOYSA-N 2 1 398.332 3.907 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1I ZINC001279873866 1047976496 /nfs/dbraw/zinc/97/64/96/1047976496.db2.gz GKMDIAZWMNDNFQ-UHFFFAOYSA-N 2 1 398.332 3.907 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(C)c(Cl)c(C)c1)CC2 ZINC001280040004 1048061123 /nfs/dbraw/zinc/06/11/23/1048061123.db2.gz XKUYXVOQVRREHS-UHFFFAOYSA-N 2 1 380.960 3.865 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(C)c(Cl)c(C)c1)CC2 ZINC001280040004 1048061139 /nfs/dbraw/zinc/06/11/39/1048061139.db2.gz XKUYXVOQVRREHS-UHFFFAOYSA-N 2 1 380.960 3.865 20 0 GHADMP C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216739 1048129220 /nfs/dbraw/zinc/12/92/20/1048129220.db2.gz GTOWMPNYBGDYRF-OAGGEKHMSA-N 2 1 378.479 3.703 20 0 GHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216739 1048129226 /nfs/dbraw/zinc/12/92/26/1048129226.db2.gz GTOWMPNYBGDYRF-OAGGEKHMSA-N 2 1 378.479 3.703 20 0 GHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216739 1048129230 /nfs/dbraw/zinc/12/92/30/1048129230.db2.gz GTOWMPNYBGDYRF-OAGGEKHMSA-N 2 1 378.479 3.703 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(CC(=O)OC(C)C)n2)CC1 ZINC001307421804 1049260151 /nfs/dbraw/zinc/26/01/51/1049260151.db2.gz KFJWXPJNFXBUAZ-UHFFFAOYSA-N 2 1 381.586 3.581 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(CC(=O)OC(C)C)n2)CC1 ZINC001307421804 1049260165 /nfs/dbraw/zinc/26/01/65/1049260165.db2.gz KFJWXPJNFXBUAZ-UHFFFAOYSA-N 2 1 381.586 3.581 20 0 GHADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001307445749 1049282250 /nfs/dbraw/zinc/28/22/50/1049282250.db2.gz IDVNGWUQLMGFNU-XMMPIXPASA-N 2 1 399.623 3.960 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001307455773 1049293063 /nfs/dbraw/zinc/29/30/63/1049293063.db2.gz MKSLSSFRJXMJNT-IBGZPJMESA-N 2 1 379.589 3.831 20 0 GHADMP C[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307700023 1049516281 /nfs/dbraw/zinc/51/62/81/1049516281.db2.gz YHONZUGOQCDEHB-PXNSSMCTSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307700023 1049516290 /nfs/dbraw/zinc/51/62/90/1049516290.db2.gz YHONZUGOQCDEHB-PXNSSMCTSA-N 2 1 377.960 3.858 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)c2ccc(C[NH+](C)C)o2)c2cccs2)CC1 ZINC001290021974 1049712872 /nfs/dbraw/zinc/71/28/72/1049712872.db2.gz NADFPAWQAFGLAF-KRWDZBQOSA-N 2 1 375.538 3.606 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001308196958 1049908877 /nfs/dbraw/zinc/90/88/77/1049908877.db2.gz MRQLSRDYNRFQDB-UHFFFAOYSA-N 2 1 391.559 3.638 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001308196958 1049908882 /nfs/dbraw/zinc/90/88/82/1049908882.db2.gz MRQLSRDYNRFQDB-UHFFFAOYSA-N 2 1 391.559 3.638 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001308343101 1049953476 /nfs/dbraw/zinc/95/34/76/1049953476.db2.gz LQTVYRGXDZKDCI-ILWGZMRPSA-N 2 1 384.520 3.695 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001308343101 1049953478 /nfs/dbraw/zinc/95/34/78/1049953478.db2.gz LQTVYRGXDZKDCI-ILWGZMRPSA-N 2 1 384.520 3.695 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001290995376 1049967222 /nfs/dbraw/zinc/96/72/22/1049967222.db2.gz YHIKILUSBXXTMI-FUPPJEDESA-N 2 1 385.596 3.834 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001290995376 1049967226 /nfs/dbraw/zinc/96/72/26/1049967226.db2.gz YHIKILUSBXXTMI-FUPPJEDESA-N 2 1 385.596 3.834 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001290995376 1049967229 /nfs/dbraw/zinc/96/72/29/1049967229.db2.gz YHIKILUSBXXTMI-FUPPJEDESA-N 2 1 385.596 3.834 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]1C)O[C@@H](C)C2 ZINC001308488906 1049987985 /nfs/dbraw/zinc/98/79/85/1049987985.db2.gz SCMMAAJQRXYXRF-NPPFBWRTSA-N 2 1 380.532 3.876 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C)O[C@@H](C)C2 ZINC001308488906 1049987988 /nfs/dbraw/zinc/98/79/88/1049987988.db2.gz SCMMAAJQRXYXRF-NPPFBWRTSA-N 2 1 380.532 3.876 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568456 1050012923 /nfs/dbraw/zinc/01/29/23/1050012923.db2.gz DYAODOJMYZTPGH-HIFRSBDPSA-N 2 1 383.330 3.540 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568456 1050012930 /nfs/dbraw/zinc/01/29/30/1050012930.db2.gz DYAODOJMYZTPGH-HIFRSBDPSA-N 2 1 383.330 3.540 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568456 1050012935 /nfs/dbraw/zinc/01/29/35/1050012935.db2.gz DYAODOJMYZTPGH-HIFRSBDPSA-N 2 1 383.330 3.540 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568456 1050012940 /nfs/dbraw/zinc/01/29/40/1050012940.db2.gz DYAODOJMYZTPGH-HIFRSBDPSA-N 2 1 383.330 3.540 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC001308681419 1050057870 /nfs/dbraw/zinc/05/78/70/1050057870.db2.gz QZBFFVHDORCWGO-FPOVZHCZSA-N 2 1 383.580 3.842 20 0 GHADMP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001308903901 1050152542 /nfs/dbraw/zinc/15/25/42/1050152542.db2.gz FXTBQSPMZWQPRB-SHBJFUFKSA-N 2 1 384.564 3.856 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(OCc2cccnc2)c1 ZINC001308978183 1050239487 /nfs/dbraw/zinc/23/94/87/1050239487.db2.gz QFGDLYMFUBJVQB-ILWGZMRPSA-N 2 1 395.547 3.831 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC001327717603 1050261167 /nfs/dbraw/zinc/26/11/67/1050261167.db2.gz HYLLNMSDBKVGPV-HSZRJFAPSA-N 2 1 379.548 3.728 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3nc4cc(Br)ccc4o3)C[C@@H]2C1 ZINC001334356591 1051933518 /nfs/dbraw/zinc/93/35/18/1051933518.db2.gz NYUJWPQWANIBLV-KCQAQPDRSA-N 2 1 378.314 3.752 20 0 GHADMP Cc1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(=S)n1-c1ccccc1C ZINC001334727210 1051969596 /nfs/dbraw/zinc/96/95/96/1051969596.db2.gz ZHDNOUSBFWUVDK-OTWHNJEPSA-N 2 1 385.581 3.640 20 0 GHADMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(=S)n1-c1ccccc1C ZINC001334727210 1051969598 /nfs/dbraw/zinc/96/95/98/1051969598.db2.gz ZHDNOUSBFWUVDK-OTWHNJEPSA-N 2 1 385.581 3.640 20 0 GHADMP C[C@H](CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001311403785 1052107362 /nfs/dbraw/zinc/10/73/62/1052107362.db2.gz LPPRVVRKPFZDNP-NJDAHSKKSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1csc2ccccc21 ZINC001335666009 1052149129 /nfs/dbraw/zinc/14/91/29/1052149129.db2.gz NHRYJHCPXUOAPJ-RYQLBKOJSA-N 2 1 398.576 3.573 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001335747226 1052163145 /nfs/dbraw/zinc/16/31/45/1052163145.db2.gz OGEILUSQVWAFCV-FPOVZHCZSA-N 2 1 395.478 3.809 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001335747226 1052163153 /nfs/dbraw/zinc/16/31/53/1052163153.db2.gz OGEILUSQVWAFCV-FPOVZHCZSA-N 2 1 395.478 3.809 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC001336702857 1052310460 /nfs/dbraw/zinc/31/04/60/1052310460.db2.gz HNUBFTJPFWFSBJ-HXUWFJFHSA-N 2 1 385.895 3.501 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001311889240 1052459796 /nfs/dbraw/zinc/45/97/96/1052459796.db2.gz YCXFEAPVIVEJBS-IRLDBZIGSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312011931 1052527835 /nfs/dbraw/zinc/52/78/35/1052527835.db2.gz LNWVNAVYKZTDFQ-LEWJYISDSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001312119442 1052583518 /nfs/dbraw/zinc/58/35/18/1052583518.db2.gz NFZLVZGFMCWWRA-NGVUMRSOSA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001312165265 1052609543 /nfs/dbraw/zinc/60/95/43/1052609543.db2.gz BNAYUUPYNBCCQX-UYAOXDASSA-N 2 1 386.584 3.602 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC001312518487 1052774498 /nfs/dbraw/zinc/77/44/98/1052774498.db2.gz RDULXRIEWDEITE-SFHVURJKSA-N 2 1 380.964 3.506 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001312656499 1052827837 /nfs/dbraw/zinc/82/78/37/1052827837.db2.gz BSUOBHCDWFGLGZ-NZQKXSOJSA-N 2 1 394.563 3.514 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318367216 1054590586 /nfs/dbraw/zinc/59/05/86/1054590586.db2.gz BSGWGBOALPJCNE-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318367216 1054590598 /nfs/dbraw/zinc/59/05/98/1054590598.db2.gz BSGWGBOALPJCNE-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001319175082 1055079162 /nfs/dbraw/zinc/07/91/62/1055079162.db2.gz DSAWRNPHEHMSJZ-VXKWHMMOSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001319175082 1055079173 /nfs/dbraw/zinc/07/91/73/1055079173.db2.gz DSAWRNPHEHMSJZ-VXKWHMMOSA-N 2 1 398.551 3.584 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC001319500887 1055292434 /nfs/dbraw/zinc/29/24/34/1055292434.db2.gz ZUXZBYABZQSMSI-DHIUTWEWSA-N 2 1 383.580 3.540 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC001319730454 1055430315 /nfs/dbraw/zinc/43/03/15/1055430315.db2.gz LMEZNKINSCPGAL-NRFANRHFSA-N 2 1 386.584 3.814 20 0 GHADMP Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc2c[nH+]cn21 ZINC001319985338 1055580738 /nfs/dbraw/zinc/58/07/38/1055580738.db2.gz NFWHXAIIFUPBDL-QGZVFWFLSA-N 2 1 376.504 3.947 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001320627610 1055907846 /nfs/dbraw/zinc/90/78/46/1055907846.db2.gz CUHCKZGMSAHPPT-ZACQAIPSSA-N 2 1 383.540 3.749 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)cc1 ZINC001321266561 1056200228 /nfs/dbraw/zinc/20/02/28/1056200228.db2.gz DJKPLJRFVRWFQN-NRFANRHFSA-N 2 1 380.536 3.949 20 0 GHADMP O=C(c1cc2c(cccc2Cl)s1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001354734780 1056918628 /nfs/dbraw/zinc/91/86/28/1056918628.db2.gz MNSRDUZYYHUFOF-GASCZTMLSA-N 2 1 389.952 3.596 20 0 GHADMP O=C(c1cc2c(cccc2Cl)s1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001354734780 1056918632 /nfs/dbraw/zinc/91/86/32/1056918632.db2.gz MNSRDUZYYHUFOF-GASCZTMLSA-N 2 1 389.952 3.596 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001323390251 1056962948 /nfs/dbraw/zinc/96/29/48/1056962948.db2.gz GQTFVPIZGDNHCK-UKDVSSAZSA-N 2 1 393.575 3.724 20 0 GHADMP C[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@](C)(CO)C3)c2)C1 ZINC001324425157 1057130857 /nfs/dbraw/zinc/13/08/57/1057130857.db2.gz QXONGSTYYJJANX-SZPZYZBQSA-N 2 1 394.987 3.529 20 0 GHADMP C[C@@]1(CO)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@](C)(CO)C3)c2)C1 ZINC001324425157 1057130862 /nfs/dbraw/zinc/13/08/62/1057130862.db2.gz QXONGSTYYJJANX-SZPZYZBQSA-N 2 1 394.987 3.529 20 0 GHADMP C[C@@]1(CO)CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@](C)(CO)C3)c2)C1 ZINC001324425157 1057130866 /nfs/dbraw/zinc/13/08/66/1057130866.db2.gz QXONGSTYYJJANX-SZPZYZBQSA-N 2 1 394.987 3.529 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000848546152 1057166973 /nfs/dbraw/zinc/16/69/73/1057166973.db2.gz TZTIZRJTEMHDTL-DNQXCXABSA-N 2 1 380.532 3.620 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)CC12CCOCC2 ZINC000848599709 1057197764 /nfs/dbraw/zinc/19/77/64/1057197764.db2.gz OWJQBKVPQLQDTI-HNNXBMFYSA-N 2 1 380.319 3.729 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)CC12CCOCC2 ZINC000848599709 1057197769 /nfs/dbraw/zinc/19/77/69/1057197769.db2.gz OWJQBKVPQLQDTI-HNNXBMFYSA-N 2 1 380.319 3.729 20 0 GHADMP Cc1[nH+]cn(CCCCc2noc(C3CCN(c4cc[nH+]cc4C)CC3)n2)c1C ZINC000848615027 1057206145 /nfs/dbraw/zinc/20/61/45/1057206145.db2.gz MUXLPHXWTKJXDP-UHFFFAOYSA-N 2 1 394.523 3.993 20 0 GHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001324764083 1057221655 /nfs/dbraw/zinc/22/16/55/1057221655.db2.gz LNMJOCQINLBXJZ-HSZRJFAPSA-N 2 1 392.547 3.713 20 0 GHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001324764083 1057221659 /nfs/dbraw/zinc/22/16/59/1057221659.db2.gz LNMJOCQINLBXJZ-HSZRJFAPSA-N 2 1 392.547 3.713 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001324786658 1057226257 /nfs/dbraw/zinc/22/62/57/1057226257.db2.gz ZRYICISBALSSMQ-VEEZFSHISA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324786658 1057226260 /nfs/dbraw/zinc/22/62/60/1057226260.db2.gz ZRYICISBALSSMQ-VEEZFSHISA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324786658 1057226262 /nfs/dbraw/zinc/22/62/62/1057226262.db2.gz ZRYICISBALSSMQ-VEEZFSHISA-N 2 1 386.584 3.600 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)C(c1ccccc1)c1ccccc1 ZINC001326583696 1057516235 /nfs/dbraw/zinc/51/62/35/1057516235.db2.gz MFRUDYIUPHGNDG-UHFFFAOYSA-N 2 1 391.559 3.700 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000849085473 1057587497 /nfs/dbraw/zinc/58/74/97/1057587497.db2.gz NVAPSULJEQRGHH-LJQANCHMSA-N 2 1 396.535 3.942 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC001338809021 1058801117 /nfs/dbraw/zinc/80/11/17/1058801117.db2.gz GVYGGLFLCAOZPE-UGKGYDQZSA-N 2 1 394.563 3.682 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1 ZINC001338809021 1058801145 /nfs/dbraw/zinc/80/11/45/1058801145.db2.gz GVYGGLFLCAOZPE-UGKGYDQZSA-N 2 1 394.563 3.682 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001442724007 1058998404 /nfs/dbraw/zinc/99/84/04/1058998404.db2.gz MEPKBMOFCCGPFB-INIZCTEOSA-N 2 1 398.378 3.760 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc2ccc(Cl)cc12 ZINC001442928202 1059030591 /nfs/dbraw/zinc/03/05/91/1059030591.db2.gz XZKJHZPWBITJAH-INIZCTEOSA-N 2 1 377.916 3.574 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001339582126 1059321759 /nfs/dbraw/zinc/32/17/59/1059321759.db2.gz CCWLEYWXIJXBTA-WOJBJXKFSA-N 2 1 381.564 3.724 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001340205954 1059762660 /nfs/dbraw/zinc/76/26/60/1059762660.db2.gz NMHOGEQRPCAZNV-HSZRJFAPSA-N 2 1 397.607 3.917 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001479081337 1060934149 /nfs/dbraw/zinc/93/41/49/1060934149.db2.gz BZLLZCRFCMKAGW-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001479081337 1060934153 /nfs/dbraw/zinc/93/41/53/1060934153.db2.gz BZLLZCRFCMKAGW-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001479081337 1060934159 /nfs/dbraw/zinc/93/41/59/1060934159.db2.gz BZLLZCRFCMKAGW-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1 ZINC001454408436 1061766393 /nfs/dbraw/zinc/76/63/93/1061766393.db2.gz SYRFOIDCTQEJLZ-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1 ZINC001454408436 1061766414 /nfs/dbraw/zinc/76/64/14/1061766414.db2.gz SYRFOIDCTQEJLZ-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1 ZINC001454408436 1061766433 /nfs/dbraw/zinc/76/64/33/1061766433.db2.gz SYRFOIDCTQEJLZ-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C)c1ccccc1 ZINC001454408436 1061766444 /nfs/dbraw/zinc/76/64/44/1061766444.db2.gz SYRFOIDCTQEJLZ-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)cc2)C1 ZINC001346845545 1061934829 /nfs/dbraw/zinc/93/48/29/1061934829.db2.gz AAMVZIBKISBZLN-NRFANRHFSA-N 2 1 396.922 3.587 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001456551125 1062746237 /nfs/dbraw/zinc/74/62/37/1062746237.db2.gz PUUCGTJPGCHIDK-UKILVPOCSA-N 2 1 391.559 3.503 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001456795628 1062862318 /nfs/dbraw/zinc/86/23/18/1062862318.db2.gz IDHKZUIYGFXYIU-PKTZIBPZSA-N 2 1 397.538 3.627 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001456795628 1062862344 /nfs/dbraw/zinc/86/23/44/1062862344.db2.gz IDHKZUIYGFXYIU-PKTZIBPZSA-N 2 1 397.538 3.627 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001459786170 1064216658 /nfs/dbraw/zinc/21/66/58/1064216658.db2.gz KEKPMXUYTMJJGF-SFHLNBCPSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001459786170 1064216664 /nfs/dbraw/zinc/21/66/64/1064216664.db2.gz KEKPMXUYTMJJGF-SFHLNBCPSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001459786170 1064216668 /nfs/dbraw/zinc/21/66/68/1064216668.db2.gz KEKPMXUYTMJJGF-SFHLNBCPSA-N 2 1 391.600 3.972 20 0 GHADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001460029881 1064360145 /nfs/dbraw/zinc/36/01/45/1064360145.db2.gz NBRRNMJMKCUYIK-NRFANRHFSA-N 2 1 377.960 3.667 20 0 GHADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001460029881 1064360164 /nfs/dbraw/zinc/36/01/64/1064360164.db2.gz NBRRNMJMKCUYIK-NRFANRHFSA-N 2 1 377.960 3.667 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001463763026 1064595378 /nfs/dbraw/zinc/59/53/78/1064595378.db2.gz NYSYISBFHIKDJX-DNQXCXABSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2cccc3ccccc32)CC1 ZINC001200094014 1065198356 /nfs/dbraw/zinc/19/83/56/1065198356.db2.gz BCTSJAUKFFEEQF-UHFFFAOYSA-N 2 1 377.517 3.796 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC001465558190 1065713773 /nfs/dbraw/zinc/71/37/73/1065713773.db2.gz XHTKIHJGUQGUHP-WTIAFYNJSA-N 2 1 397.538 3.626 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC001465558190 1065713782 /nfs/dbraw/zinc/71/37/82/1065713782.db2.gz XHTKIHJGUQGUHP-WTIAFYNJSA-N 2 1 397.538 3.626 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001466622616 1066217967 /nfs/dbraw/zinc/21/79/67/1066217967.db2.gz MTUVOGIYZUFVDL-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001466622616 1066217983 /nfs/dbraw/zinc/21/79/83/1066217983.db2.gz MTUVOGIYZUFVDL-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001466622616 1066217997 /nfs/dbraw/zinc/21/79/97/1066217997.db2.gz MTUVOGIYZUFVDL-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+]1CCC(N(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)CC1 ZINC001357398962 1067083126 /nfs/dbraw/zinc/08/31/26/1067083126.db2.gz LQMHFXQEBXBMMJ-NRFANRHFSA-N 2 1 377.532 3.636 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001357403477 1067084773 /nfs/dbraw/zinc/08/47/73/1067084773.db2.gz DIQLOYQMKKAXPE-APWZRJJASA-N 2 1 383.561 3.519 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001477596544 1078483394 /nfs/dbraw/zinc/48/33/94/1078483394.db2.gz WIZSHWNCMBNNOU-PHZLKFDYSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC001467299801 1067208714 /nfs/dbraw/zinc/20/87/14/1067208714.db2.gz OCOXMMCIHWZARX-TZYHBYERSA-N 2 1 397.538 3.988 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC001467299801 1067208720 /nfs/dbraw/zinc/20/87/20/1067208720.db2.gz OCOXMMCIHWZARX-TZYHBYERSA-N 2 1 397.538 3.988 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001467688422 1067421504 /nfs/dbraw/zinc/42/15/04/1067421504.db2.gz VVZDYHRLZCBNPS-OYRHEFFESA-N 2 1 380.621 3.652 20 0 GHADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(C)C ZINC001467715840 1067434871 /nfs/dbraw/zinc/43/48/71/1067434871.db2.gz ULUPGPUMDLLIKE-OAQYLSRUSA-N 2 1 388.600 3.705 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001467739843 1067445415 /nfs/dbraw/zinc/44/54/15/1067445415.db2.gz HEHOWPRLDPQVGE-HXUWFJFHSA-N 2 1 378.605 3.549 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001467744274 1067447628 /nfs/dbraw/zinc/44/76/28/1067447628.db2.gz PBIPVPKOXCHWSH-HBMCJLEFSA-N 2 1 380.621 3.698 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001467744274 1067447632 /nfs/dbraw/zinc/44/76/32/1067447632.db2.gz PBIPVPKOXCHWSH-HBMCJLEFSA-N 2 1 380.621 3.698 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001467744274 1067447636 /nfs/dbraw/zinc/44/76/36/1067447636.db2.gz PBIPVPKOXCHWSH-HBMCJLEFSA-N 2 1 380.621 3.698 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC001467766373 1067458877 /nfs/dbraw/zinc/45/88/77/1067458877.db2.gz GEIUEPNDCJVARU-VXKWHMMOSA-N 2 1 388.600 3.831 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC001467867207 1067506848 /nfs/dbraw/zinc/50/68/48/1067506848.db2.gz DRDITUITBOIGGI-RTBURBONSA-N 2 1 388.600 3.694 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001467946908 1067541411 /nfs/dbraw/zinc/54/14/11/1067541411.db2.gz KFVMDNOFXFSMGA-QHCPKHFHSA-N 2 1 385.596 3.666 20 0 GHADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001467982325 1067553788 /nfs/dbraw/zinc/55/37/88/1067553788.db2.gz DYPSGASFWCKHGS-JOCHJYFZSA-N 2 1 388.600 3.708 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001468204746 1067630313 /nfs/dbraw/zinc/63/03/13/1067630313.db2.gz KMWIEDUJIZXMSV-NJYVYQBISA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001468204452 1067630342 /nfs/dbraw/zinc/63/03/42/1067630342.db2.gz HOLLKWVJHRYWSA-CLWJZODNSA-N 2 1 394.991 3.608 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001468238094 1067644625 /nfs/dbraw/zinc/64/46/25/1067644625.db2.gz YULTUQAOEYUDBZ-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001468247691 1067650096 /nfs/dbraw/zinc/65/00/96/1067650096.db2.gz NTPVPQLTZHILQJ-APWZRJJASA-N 2 1 394.991 3.752 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001468247118 1067650250 /nfs/dbraw/zinc/65/02/50/1067650250.db2.gz FHGCUVOBKRSISH-PGFLUOATSA-N 2 1 378.605 3.593 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC001468389741 1067715060 /nfs/dbraw/zinc/71/50/60/1067715060.db2.gz ZZSBCIRDPSIXGT-OAQYLSRUSA-N 2 1 386.584 3.553 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001477865820 1078601874 /nfs/dbraw/zinc/60/18/74/1078601874.db2.gz ATQRGFRRCBPOPI-MOPGFXCFSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001477865820 1078601881 /nfs/dbraw/zinc/60/18/81/1078601881.db2.gz ATQRGFRRCBPOPI-MOPGFXCFSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001477865820 1078601884 /nfs/dbraw/zinc/60/18/84/1078601884.db2.gz ATQRGFRRCBPOPI-MOPGFXCFSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001477866664 1078602558 /nfs/dbraw/zinc/60/25/58/1078602558.db2.gz JTEHULPRWIINMO-CTNGQTDRSA-N 2 1 392.632 3.983 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001477866664 1078602565 /nfs/dbraw/zinc/60/25/65/1078602565.db2.gz JTEHULPRWIINMO-CTNGQTDRSA-N 2 1 392.632 3.983 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001477866664 1078602570 /nfs/dbraw/zinc/60/25/70/1078602570.db2.gz JTEHULPRWIINMO-CTNGQTDRSA-N 2 1 392.632 3.983 20 0 GHADMP CC(C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001359711421 1068150298 /nfs/dbraw/zinc/15/02/98/1068150298.db2.gz FWXUAJORNQJXLK-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c[nH+]cc1C ZINC001360028819 1068322833 /nfs/dbraw/zinc/32/28/33/1068322833.db2.gz WXKUGOQDORCVOO-UHFFFAOYSA-N 2 1 397.350 3.869 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC001360169284 1068397351 /nfs/dbraw/zinc/39/73/51/1068397351.db2.gz ZMNWBWALQFDUEX-HXUWFJFHSA-N 2 1 389.927 3.912 20 0 GHADMP CN(CCC[N@@H+](C)Cc1cccc2c(Br)cccc12)CC[NH+](C)C ZINC001460193083 1068849854 /nfs/dbraw/zinc/84/98/54/1068849854.db2.gz IDSAIWVVTWAQPP-UHFFFAOYSA-N 2 1 392.385 3.918 20 0 GHADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549449 1068993220 /nfs/dbraw/zinc/99/32/20/1068993220.db2.gz WBWHRYIYKQXFIO-DENIHFKCSA-N 2 1 385.596 3.864 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001460572345 1069002566 /nfs/dbraw/zinc/00/25/66/1069002566.db2.gz YKDVQTMRXSNAAY-UHFFFAOYSA-N 2 1 380.532 3.975 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC001460746984 1069152086 /nfs/dbraw/zinc/15/20/86/1069152086.db2.gz KWDMHUSEJCWHJU-WMZHIEFXSA-N 2 1 381.495 3.608 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccc(F)cc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001460746984 1069152088 /nfs/dbraw/zinc/15/20/88/1069152088.db2.gz KWDMHUSEJCWHJU-WMZHIEFXSA-N 2 1 381.495 3.608 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccc(F)cc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001460746984 1069152089 /nfs/dbraw/zinc/15/20/89/1069152089.db2.gz KWDMHUSEJCWHJU-WMZHIEFXSA-N 2 1 381.495 3.608 20 0 GHADMP C[C@@]1(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001478556069 1078916343 /nfs/dbraw/zinc/91/63/43/1078916343.db2.gz WSESRAUPWOUYES-URXFXBBRSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@]1(CNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001478556069 1078916347 /nfs/dbraw/zinc/91/63/47/1078916347.db2.gz WSESRAUPWOUYES-URXFXBBRSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@]1(CNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001478556069 1078916350 /nfs/dbraw/zinc/91/63/50/1078916350.db2.gz WSESRAUPWOUYES-URXFXBBRSA-N 2 1 398.595 3.605 20 0 GHADMP C[NH+](C)CCN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCCC1 ZINC001478656872 1078947872 /nfs/dbraw/zinc/94/78/72/1078947872.db2.gz WLLXCTXNFKDZHC-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001470823547 1072756502 /nfs/dbraw/zinc/75/65/02/1072756502.db2.gz LHYLVNCONOPTQK-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823547 1072756506 /nfs/dbraw/zinc/75/65/06/1072756506.db2.gz LHYLVNCONOPTQK-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823547 1072756508 /nfs/dbraw/zinc/75/65/08/1072756508.db2.gz LHYLVNCONOPTQK-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCCCC2)C1 ZINC001470910589 1072808558 /nfs/dbraw/zinc/80/85/58/1072808558.db2.gz WRPMJWYJUQODJS-NRFANRHFSA-N 2 1 386.584 3.605 20 0 GHADMP CCC[NH+]1CC[C@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)C1 ZINC001470910589 1072808566 /nfs/dbraw/zinc/80/85/66/1072808566.db2.gz WRPMJWYJUQODJS-NRFANRHFSA-N 2 1 386.584 3.605 20 0 GHADMP CCC[NH+]1CC[C@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)C1 ZINC001470910589 1072808575 /nfs/dbraw/zinc/80/85/75/1072808575.db2.gz WRPMJWYJUQODJS-NRFANRHFSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1cc(C)ccc1C ZINC001471081700 1072914888 /nfs/dbraw/zinc/91/48/88/1072914888.db2.gz WZYUTIWRPQIJMB-RBBKRZOGSA-N 2 1 388.600 3.812 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001478890539 1079016794 /nfs/dbraw/zinc/01/67/94/1079016794.db2.gz BOUHISOVQJULJK-VJBWXMMDSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001478890539 1079016802 /nfs/dbraw/zinc/01/68/02/1079016802.db2.gz BOUHISOVQJULJK-VJBWXMMDSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001478890539 1079016805 /nfs/dbraw/zinc/01/68/05/1079016805.db2.gz BOUHISOVQJULJK-VJBWXMMDSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001478956664 1079038591 /nfs/dbraw/zinc/03/85/91/1079038591.db2.gz DUARQNJPNUGXLH-NNWRFLSQSA-N 2 1 388.600 3.626 20 0 GHADMP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001478956664 1079038595 /nfs/dbraw/zinc/03/85/95/1079038595.db2.gz DUARQNJPNUGXLH-NNWRFLSQSA-N 2 1 388.600 3.626 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001471581639 1073146133 /nfs/dbraw/zinc/14/61/33/1073146133.db2.gz XBLXGMUQSZZCIU-LJQANCHMSA-N 2 1 380.536 3.664 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC001479081971 1079096578 /nfs/dbraw/zinc/09/65/78/1079096578.db2.gz HZQUCYMNCCCAJH-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001479081971 1079096582 /nfs/dbraw/zinc/09/65/82/1079096582.db2.gz HZQUCYMNCCCAJH-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001479081971 1079096585 /nfs/dbraw/zinc/09/65/85/1079096585.db2.gz HZQUCYMNCCCAJH-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001472487744 1073507519 /nfs/dbraw/zinc/50/75/19/1073507519.db2.gz VLWYPIGEKMQRIM-SGNDLWITSA-N 2 1 391.559 3.633 20 0 GHADMP CC[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001472487744 1073507531 /nfs/dbraw/zinc/50/75/31/1073507531.db2.gz VLWYPIGEKMQRIM-SGNDLWITSA-N 2 1 391.559 3.633 20 0 GHADMP CC[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC001472487744 1073507543 /nfs/dbraw/zinc/50/75/43/1073507543.db2.gz VLWYPIGEKMQRIM-SGNDLWITSA-N 2 1 391.559 3.633 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC001472488511 1073508120 /nfs/dbraw/zinc/50/81/20/1073508120.db2.gz NANPQGOLWZIPRH-QHCPKHFHSA-N 2 1 397.563 3.891 20 0 GHADMP CC(C)[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473185173 1073840229 /nfs/dbraw/zinc/84/02/29/1073840229.db2.gz MQUHMMOQSVTTCO-WOJBJXKFSA-N 2 1 377.960 3.714 20 0 GHADMP CC(C)[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473185173 1073840235 /nfs/dbraw/zinc/84/02/35/1073840235.db2.gz MQUHMMOQSVTTCO-WOJBJXKFSA-N 2 1 377.960 3.714 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC001473200653 1073853291 /nfs/dbraw/zinc/85/32/91/1073853291.db2.gz FZSYNBFXNDXXBQ-YADHBBJMSA-N 2 1 375.601 3.754 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@@H+](C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC001473200653 1073853309 /nfs/dbraw/zinc/85/33/09/1073853309.db2.gz FZSYNBFXNDXXBQ-YADHBBJMSA-N 2 1 375.601 3.754 20 0 GHADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001473348760 1073930979 /nfs/dbraw/zinc/93/09/79/1073930979.db2.gz BBLVBZVQIDAEHX-UHFFFAOYSA-N 2 1 392.609 3.578 20 0 GHADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001473348760 1073930981 /nfs/dbraw/zinc/93/09/81/1073930981.db2.gz BBLVBZVQIDAEHX-UHFFFAOYSA-N 2 1 392.609 3.578 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001473492522 1073987901 /nfs/dbraw/zinc/98/79/01/1073987901.db2.gz HZDBTBDYXZIZIS-FUHWJXTLSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001473492522 1073987907 /nfs/dbraw/zinc/98/79/07/1073987907.db2.gz HZDBTBDYXZIZIS-FUHWJXTLSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001473492522 1073987910 /nfs/dbraw/zinc/98/79/10/1073987910.db2.gz HZDBTBDYXZIZIS-FUHWJXTLSA-N 2 1 398.332 3.640 20 0 GHADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001473507725 1073994221 /nfs/dbraw/zinc/99/42/21/1073994221.db2.gz IJCYCKDPUDHGIW-UHFFFAOYSA-N 2 1 392.609 3.578 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669916 1074076069 /nfs/dbraw/zinc/07/60/69/1074076069.db2.gz DRIHMWGZSBVGKD-RTWAWAEBSA-N 2 1 375.557 3.723 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669916 1074076075 /nfs/dbraw/zinc/07/60/75/1074076075.db2.gz DRIHMWGZSBVGKD-RTWAWAEBSA-N 2 1 375.557 3.723 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)O3)C2)ccn1 ZINC001473669916 1074076080 /nfs/dbraw/zinc/07/60/80/1074076080.db2.gz DRIHMWGZSBVGKD-RTWAWAEBSA-N 2 1 375.557 3.723 20 0 GHADMP COC(=O)COc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001473931578 1074208683 /nfs/dbraw/zinc/20/86/83/1074208683.db2.gz MOZGRDNTVWQYCM-LJQANCHMSA-N 2 1 396.531 3.760 20 0 GHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019046 1074237492 /nfs/dbraw/zinc/23/74/92/1074237492.db2.gz LOXXCIFXOVDOSN-DYESRHJHSA-N 2 1 381.549 3.716 20 0 GHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019046 1074237495 /nfs/dbraw/zinc/23/74/95/1074237495.db2.gz LOXXCIFXOVDOSN-DYESRHJHSA-N 2 1 381.549 3.716 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001474231016 1074301655 /nfs/dbraw/zinc/30/16/55/1074301655.db2.gz JRPWSZBHQCIZTL-QGZVFWFLSA-N 2 1 376.545 3.663 20 0 GHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001474546527 1074458036 /nfs/dbraw/zinc/45/80/36/1074458036.db2.gz ODOUUHHFMMAHGL-DEOSSOPVSA-N 2 1 399.579 3.898 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001474546527 1074458040 /nfs/dbraw/zinc/45/80/40/1074458040.db2.gz ODOUUHHFMMAHGL-DEOSSOPVSA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001474546527 1074458045 /nfs/dbraw/zinc/45/80/45/1074458045.db2.gz ODOUUHHFMMAHGL-DEOSSOPVSA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001474546527 1074458049 /nfs/dbraw/zinc/45/80/49/1074458049.db2.gz ODOUUHHFMMAHGL-DEOSSOPVSA-N 2 1 399.579 3.898 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]c1C ZINC001474551381 1074460013 /nfs/dbraw/zinc/46/00/13/1074460013.db2.gz VXXRZNNCCHHKTJ-UHFFFAOYSA-N 2 1 381.520 3.598 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c2c1OC(F)(F)O2 ZINC001474630266 1074491055 /nfs/dbraw/zinc/49/10/55/1074491055.db2.gz KESCPLPKWHFWIT-YJBOKZPZSA-N 2 1 396.478 3.851 20 0 GHADMP COc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)C2)cc1 ZINC001474692630 1074519085 /nfs/dbraw/zinc/51/90/85/1074519085.db2.gz JLERLSYUSXGWKI-WEYGHZABSA-N 2 1 385.552 3.821 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(F)cc1Br ZINC001474748362 1074544301 /nfs/dbraw/zinc/54/43/01/1074544301.db2.gz MTFVMVMWKNZSTD-YDHLFZDLSA-N 2 1 385.321 3.759 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC001476294236 1075118496 /nfs/dbraw/zinc/11/84/96/1075118496.db2.gz OHUIBZRJDDPHCT-UXHICEINSA-N 2 1 386.584 3.907 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000359893561 209199788 /nfs/dbraw/zinc/19/97/88/209199788.db2.gz DUIRGLOARRIGBX-HARLFGEKSA-N 2 1 377.532 3.985 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cc2)C1 ZINC000820710101 607473272 /nfs/dbraw/zinc/47/32/72/607473272.db2.gz OEHAZSYQWOOVKS-MRXNPFEDSA-N 2 1 394.498 3.528 20 0 GHADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC(C[N@@H+](C)C(C)C)CC3)c2c1 ZINC000826263820 608371231 /nfs/dbraw/zinc/37/12/31/608371231.db2.gz RXVKZPBCKVUCIP-UHFFFAOYSA-N 2 1 393.539 3.588 20 0 GHADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC(C[N@H+](C)C(C)C)CC3)c2c1 ZINC000826263820 608371233 /nfs/dbraw/zinc/37/12/33/608371233.db2.gz RXVKZPBCKVUCIP-UHFFFAOYSA-N 2 1 393.539 3.588 20 0 GHADMP Cc1cc2[nH]ccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)[nH+]1 ZINC001164673394 719513581 /nfs/dbraw/zinc/51/35/81/719513581.db2.gz RQPWGRDXXDPYKA-UHFFFAOYSA-N 2 1 394.494 3.882 20 0 GHADMP Cc1cc2[nH]ccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)[nH+]1 ZINC001164673394 719513589 /nfs/dbraw/zinc/51/35/89/719513589.db2.gz RQPWGRDXXDPYKA-UHFFFAOYSA-N 2 1 394.494 3.882 20 0 GHADMP COc1cccc2c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cc(Cl)nc12 ZINC001164685912 719603294 /nfs/dbraw/zinc/60/32/94/719603294.db2.gz XAOFHIHDNUXXCK-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP COc1cccc2c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cc(Cl)nc12 ZINC001164685912 719603301 /nfs/dbraw/zinc/60/33/01/719603301.db2.gz XAOFHIHDNUXXCK-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP Cc1cccc2cc(Cl)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680237 719649718 /nfs/dbraw/zinc/64/97/18/719649718.db2.gz SYRMTHGLTQRCOJ-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP Cc1cccc2cc(Cl)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680237 719649722 /nfs/dbraw/zinc/64/97/22/719649722.db2.gz SYRMTHGLTQRCOJ-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC[NH+]3Cc2cccnc2)nc1 ZINC001164725722 720472788 /nfs/dbraw/zinc/47/27/88/720472788.db2.gz JXNVAOXEQFIIKF-DNVJHFABSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164725722 720472798 /nfs/dbraw/zinc/47/27/98/720472798.db2.gz JXNVAOXEQFIIKF-DNVJHFABSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164725722 720472809 /nfs/dbraw/zinc/47/28/09/720472809.db2.gz JXNVAOXEQFIIKF-DNVJHFABSA-N 2 1 391.563 3.877 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000162816381 837432296 /nfs/dbraw/zinc/43/22/96/837432296.db2.gz LOMUUDWLOVQWTF-UHFFFAOYSA-N 2 1 388.313 3.797 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000162816381 837432304 /nfs/dbraw/zinc/43/23/04/837432304.db2.gz LOMUUDWLOVQWTF-UHFFFAOYSA-N 2 1 388.313 3.797 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000471406519 837604807 /nfs/dbraw/zinc/60/48/07/837604807.db2.gz UIOAZJKVTWJWQM-NRFANRHFSA-N 2 1 385.577 3.696 20 0 GHADMP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000655691399 837672133 /nfs/dbraw/zinc/67/21/33/837672133.db2.gz AEWACGIOIIOCFJ-XLIONFOSSA-N 2 1 376.541 3.778 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)C1 ZINC000655692768 837677001 /nfs/dbraw/zinc/67/70/01/837677001.db2.gz UGFCKACOSBTAHD-REHUZNOOSA-N 3 1 385.596 3.507 20 0 GHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655705334 837695027 /nfs/dbraw/zinc/69/50/27/837695027.db2.gz FKVAUOVEVFKCMV-WBVHZDCISA-N 2 1 386.458 3.706 20 0 GHADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000655710780 837704046 /nfs/dbraw/zinc/70/40/46/837704046.db2.gz FFJDTOZFUPNQEV-DHIUTWEWSA-N 2 1 391.559 3.778 20 0 GHADMP FC(F)(F)c1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655715487 837718512 /nfs/dbraw/zinc/71/85/12/837718512.db2.gz KPRUSNBVBVHWKI-UYAOXDASSA-N 2 1 397.485 3.517 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2cn(-c3ccc(C)cc3)nc2C)[C@@H](C)C1 ZINC000655734764 837764586 /nfs/dbraw/zinc/76/45/86/837764586.db2.gz AVIMIFMJKRXJNF-WMZHIEFXSA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@@H](C)C1 ZINC000655734764 837764606 /nfs/dbraw/zinc/76/46/06/837764606.db2.gz AVIMIFMJKRXJNF-WMZHIEFXSA-N 2 1 384.568 3.716 20 0 GHADMP C[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655733018 837770717 /nfs/dbraw/zinc/77/07/17/837770717.db2.gz HYVJHXLNWBZQMI-CRAIPNDOSA-N 2 1 381.358 3.613 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3Br)C2)C1 ZINC000650706365 834536234 /nfs/dbraw/zinc/53/62/34/834536234.db2.gz JLJFSCALJREMST-SRCQZFHVSA-N 2 1 387.749 3.821 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650708082 834547921 /nfs/dbraw/zinc/54/79/21/834547921.db2.gz SWUBKFBXMUEOJR-JAXLGGSGSA-N 2 1 380.536 3.568 20 0 GHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707506 834555935 /nfs/dbraw/zinc/55/59/35/834555935.db2.gz HLNICROSNJKQEJ-RCZSKKKRSA-N 2 1 396.579 3.888 20 0 GHADMP CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000654786984 834563914 /nfs/dbraw/zinc/56/39/14/834563914.db2.gz KSDJWWDZGPIORM-QHCPKHFHSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000090659941 834618745 /nfs/dbraw/zinc/61/87/45/834618745.db2.gz VIAHQUPOVJDPNI-GHTZIAJQSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000090659941 834618750 /nfs/dbraw/zinc/61/87/50/834618750.db2.gz VIAHQUPOVJDPNI-GHTZIAJQSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)c(Br)c1 ZINC000655743249 837794388 /nfs/dbraw/zinc/79/43/88/837794388.db2.gz PQTXZIUCKAQYCH-CZUORRHYSA-N 2 1 385.321 3.882 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724026 834708475 /nfs/dbraw/zinc/70/84/75/834708475.db2.gz XIKGASVGSPHJBM-XPNTWCBSSA-N 2 1 381.520 3.618 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000655744064 837803094 /nfs/dbraw/zinc/80/30/94/837803094.db2.gz NXBYCANUJOHJBJ-CXAGYDPISA-N 2 1 377.330 3.516 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1c1ccccc1 ZINC000583645529 834807897 /nfs/dbraw/zinc/80/78/97/834807897.db2.gz ZZIBZDWMUSQFKW-UKILVPOCSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1c1ccccc1 ZINC000583645529 834807903 /nfs/dbraw/zinc/80/79/03/834807903.db2.gz ZZIBZDWMUSQFKW-UKILVPOCSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000583645530 834807937 /nfs/dbraw/zinc/80/79/37/834807937.db2.gz ZZIBZDWMUSQFKW-ZCYQVOJMSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000583645530 834807942 /nfs/dbraw/zinc/80/79/42/834807942.db2.gz ZZIBZDWMUSQFKW-ZCYQVOJMSA-N 3 1 393.575 3.568 20 0 GHADMP COc1cc2ccc([C@@H](C)[NH2+]CC3CCN(CC[NH+](C)C)CC3)cc2cc1OC ZINC000657872533 834812096 /nfs/dbraw/zinc/81/20/96/834812096.db2.gz QWQNEGBKNUTBNE-GOSISDBHSA-N 2 1 399.579 3.781 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000246165162 834819365 /nfs/dbraw/zinc/81/93/65/834819365.db2.gz AQCLUDOHWMTEFR-KJXAQDMKSA-N 2 1 379.548 3.693 20 0 GHADMP CCCc1ccc(CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001125287571 834965324 /nfs/dbraw/zinc/96/53/24/834965324.db2.gz XUYAKOIKQVEBSA-UHFFFAOYSA-N 2 1 380.536 3.747 20 0 GHADMP Brc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)s1 ZINC000655767148 837834045 /nfs/dbraw/zinc/83/40/45/837834045.db2.gz RBQAGJMEPYHLBM-OAHLLOKOSA-N 2 1 399.398 3.775 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000685457852 835023116 /nfs/dbraw/zinc/02/31/16/835023116.db2.gz QATPGKFLSMOAOY-FQEVSTJZSA-N 2 1 385.527 3.994 20 0 GHADMP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(OC(F)F)cc1C ZINC000685457942 835023831 /nfs/dbraw/zinc/02/38/31/835023831.db2.gz UGJZGGALHXVDTI-LJQANCHMSA-N 2 1 381.511 3.505 20 0 GHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(OC(F)F)cc1C ZINC000685457942 835023842 /nfs/dbraw/zinc/02/38/42/835023842.db2.gz UGJZGGALHXVDTI-LJQANCHMSA-N 2 1 381.511 3.505 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812125 835073158 /nfs/dbraw/zinc/07/31/58/835073158.db2.gz RLZZTGNZWRBFPI-FUPPJEDESA-N 2 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812125 835073166 /nfs/dbraw/zinc/07/31/66/835073166.db2.gz RLZZTGNZWRBFPI-FUPPJEDESA-N 3 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812125 835073175 /nfs/dbraw/zinc/07/31/75/835073175.db2.gz RLZZTGNZWRBFPI-FUPPJEDESA-N 3 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812125 835073185 /nfs/dbraw/zinc/07/31/85/835073185.db2.gz RLZZTGNZWRBFPI-FUPPJEDESA-N 3 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812125 835073194 /nfs/dbraw/zinc/07/31/94/835073194.db2.gz RLZZTGNZWRBFPI-FUPPJEDESA-N 3 1 385.596 3.663 20 0 GHADMP C[C@H]1C[N@H+](CCCNc2cc[nH+]c3cc(Br)ccc23)CCCO1 ZINC000432848087 844031732 /nfs/dbraw/zinc/03/17/32/844031732.db2.gz YGKXFWZORVVYGF-AWEZNQCLSA-N 2 1 378.314 3.910 20 0 GHADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c3cc(Br)ccc23)CCCO1 ZINC000432848087 844031738 /nfs/dbraw/zinc/03/17/38/844031738.db2.gz YGKXFWZORVVYGF-AWEZNQCLSA-N 2 1 378.314 3.910 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000158016610 835192213 /nfs/dbraw/zinc/19/22/13/835192213.db2.gz UWQGQBICIYALCY-UHFFFAOYSA-N 2 1 394.003 3.783 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000562174109 835194898 /nfs/dbraw/zinc/19/48/98/835194898.db2.gz DDRPIPMOFRHIRS-PMACEKPBSA-N 2 1 386.584 3.826 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000562174109 835194903 /nfs/dbraw/zinc/19/49/03/835194903.db2.gz DDRPIPMOFRHIRS-PMACEKPBSA-N 2 1 386.584 3.826 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000278481802 835201560 /nfs/dbraw/zinc/20/15/60/835201560.db2.gz AOYNPLZVTRUORD-UHFFFAOYSA-N 2 1 379.504 3.669 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131483811 835208715 /nfs/dbraw/zinc/20/87/15/835208715.db2.gz XXSZIJDMUKEZEP-JOCHJYFZSA-N 2 1 395.547 3.541 20 0 GHADMP C[C@H](c1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000433358450 844049221 /nfs/dbraw/zinc/04/92/21/844049221.db2.gz BCVWEXLPSFYTHY-XMSQKQJNSA-N 2 1 381.520 3.711 20 0 GHADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000512984070 844055731 /nfs/dbraw/zinc/05/57/31/844055731.db2.gz AJWWADJNMMEWOQ-SDXDJHTJSA-N 2 1 397.950 3.921 20 0 GHADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658166133 835481992 /nfs/dbraw/zinc/48/19/92/835481992.db2.gz MTAQLHLMVXDDJO-SQJMNOBHSA-N 3 1 392.591 3.794 20 0 GHADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658166133 835481996 /nfs/dbraw/zinc/48/19/96/835481996.db2.gz MTAQLHLMVXDDJO-SQJMNOBHSA-N 2 1 392.591 3.794 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCC ZINC000133160480 835491004 /nfs/dbraw/zinc/49/10/04/835491004.db2.gz GVBMHSFRGZJRRU-QZTJIDSGSA-N 2 1 376.541 3.636 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)[C@@]1(O)CCCOC1 ZINC000658317196 835570556 /nfs/dbraw/zinc/57/05/56/835570556.db2.gz VRRKUZQFUVZQOW-GBEXAXCTSA-N 2 1 386.580 3.587 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c(OC)c1OC ZINC000472365946 835663830 /nfs/dbraw/zinc/66/38/30/835663830.db2.gz GXZBFCZJUFLAHX-NHCUHLMSSA-N 2 1 398.547 3.885 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584158974 835716868 /nfs/dbraw/zinc/71/68/68/835716868.db2.gz SWJWYAAUAKBBLK-ICSRJNTNSA-N 2 1 383.511 3.963 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448202663 835761317 /nfs/dbraw/zinc/76/13/17/835761317.db2.gz GGRLDFAXDLICAU-HXUWFJFHSA-N 2 1 388.600 3.696 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000892462326 835800922 /nfs/dbraw/zinc/80/09/22/835800922.db2.gz NNTDDNGEPDVUIR-UHFFFAOYSA-N 2 1 397.523 3.709 20 0 GHADMP COc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(Cl)c1OC ZINC000092587230 844121356 /nfs/dbraw/zinc/12/13/56/844121356.db2.gz RYZNLOMZMDBCTI-IYBDPMFKSA-N 2 1 396.959 3.678 20 0 GHADMP COc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(Cl)c1OC ZINC000092587230 844121361 /nfs/dbraw/zinc/12/13/61/844121361.db2.gz RYZNLOMZMDBCTI-IYBDPMFKSA-N 2 1 396.959 3.678 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000431647402 836068695 /nfs/dbraw/zinc/06/86/95/836068695.db2.gz IKJULYZLFKYQIC-FQEVSTJZSA-N 2 1 380.621 3.556 20 0 GHADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481424 844131402 /nfs/dbraw/zinc/13/14/02/844131402.db2.gz FATUSADZLLHWGV-IHPCNDPISA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481424 844131406 /nfs/dbraw/zinc/13/14/06/844131406.db2.gz FATUSADZLLHWGV-IHPCNDPISA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H](NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375786 836230524 /nfs/dbraw/zinc/23/05/24/836230524.db2.gz DHFAHCIDUBXFIR-IEIRFRATSA-N 2 1 383.580 3.635 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000375964527 836349130 /nfs/dbraw/zinc/34/91/30/836349130.db2.gz UZSLEDBSSFDPAI-UHFFFAOYSA-N 2 1 397.441 3.550 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483549 844156946 /nfs/dbraw/zinc/15/69/46/844156946.db2.gz HNEODEJGNDCHTA-NZQKXSOJSA-N 2 1 379.548 3.523 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)N1CCC(C)CC1 ZINC000174155912 836388132 /nfs/dbraw/zinc/38/81/32/836388132.db2.gz NILUCZMUWLJADF-LJQANCHMSA-N 2 1 383.536 3.648 20 0 GHADMP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000414247693 836716389 /nfs/dbraw/zinc/71/63/89/836716389.db2.gz OPCUVNDKJGBTNK-XWFZLUIHSA-N 2 1 379.508 3.826 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000247080434 836752274 /nfs/dbraw/zinc/75/22/74/836752274.db2.gz NIEYJGXDFPGSQW-IFMALSPDSA-N 2 1 383.511 3.764 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000510931606 844202392 /nfs/dbraw/zinc/20/23/92/844202392.db2.gz SRPZCMZMBDCFKQ-MRXNPFEDSA-N 2 1 375.538 3.649 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000067222905 844208318 /nfs/dbraw/zinc/20/83/18/844208318.db2.gz ANNNBNXTKWYVQK-IBGZPJMESA-N 2 1 375.520 3.756 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414280159 836878975 /nfs/dbraw/zinc/87/89/75/836878975.db2.gz CDYZYTSWWYCNKS-MRXNPFEDSA-N 2 1 392.590 3.816 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175619297 836920290 /nfs/dbraw/zinc/92/02/90/836920290.db2.gz QWZOTQDNQJMNKS-UGKGYDQZSA-N 2 1 398.595 3.746 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)C(C)C ZINC000110093209 844229093 /nfs/dbraw/zinc/22/90/93/844229093.db2.gz UJTXKALYGCOICG-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)C(C)C ZINC000110093209 844229098 /nfs/dbraw/zinc/22/90/98/844229098.db2.gz UJTXKALYGCOICG-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000414314472 837056940 /nfs/dbraw/zinc/05/69/40/837056940.db2.gz ZVPVVVMBXUBPPZ-CQSZACIVSA-N 2 1 399.482 3.840 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000047385295 844260759 /nfs/dbraw/zinc/26/07/59/844260759.db2.gz LMQPVIKMMOLPBN-UHFFFAOYSA-N 2 1 375.476 3.814 20 0 GHADMP Clc1ccc([C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)OCC2CC2)cc1 ZINC000655766555 837843425 /nfs/dbraw/zinc/84/34/25/837843425.db2.gz IMCXWMAHWRCNFL-LEWJYISDSA-N 2 1 378.944 3.651 20 0 GHADMP COCCC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1 ZINC000655767541 837845280 /nfs/dbraw/zinc/84/52/80/837845280.db2.gz VOQDBSYZYAGNQL-GHTZIAJQSA-N 2 1 380.960 3.693 20 0 GHADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000187707083 837910484 /nfs/dbraw/zinc/91/04/84/837910484.db2.gz VAOIFTOOODYCAP-SFHVURJKSA-N 2 1 378.582 3.739 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000051230888 837939174 /nfs/dbraw/zinc/93/91/74/837939174.db2.gz MJBDYDISEONILD-OAQYLSRUSA-N 2 1 397.588 3.974 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000579973984 838225445 /nfs/dbraw/zinc/22/54/45/838225445.db2.gz RTSIUJIFXLOMBJ-JFCAZQBUSA-N 2 1 381.564 3.705 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415889960 838236267 /nfs/dbraw/zinc/23/62/67/838236267.db2.gz CTLQFGJFJYMMPJ-SFHVURJKSA-N 2 1 384.568 3.841 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C(C)(C)C)C[C@@H]3C)CC2)CC1 ZINC000579976663 838240249 /nfs/dbraw/zinc/24/02/49/838240249.db2.gz NPLBCAAJPOPPEQ-ICSRJNTNSA-N 2 1 377.617 3.856 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000415907887 838253760 /nfs/dbraw/zinc/25/37/60/838253760.db2.gz OGWPBWTYLQVYML-LJQANCHMSA-N 2 1 380.536 3.924 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000415905980 838259776 /nfs/dbraw/zinc/25/97/76/838259776.db2.gz JFJQUESZQRNREX-XMSQKQJNSA-N 2 1 380.536 3.971 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312589861 838273924 /nfs/dbraw/zinc/27/39/24/838273924.db2.gz DMDJEWPEIDHFSD-ICSRJNTNSA-N 2 1 386.561 3.653 20 0 GHADMP CCN(C(=O)Nc1ccc(OCC[NH3+])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415949097 838305106 /nfs/dbraw/zinc/30/51/06/838305106.db2.gz VTKPNFOWMPJVDN-WIYYLYMNSA-N 2 1 396.535 3.713 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000659879566 838322226 /nfs/dbraw/zinc/32/22/26/838322226.db2.gz VZOKSSSFWXKUGG-RTWAWAEBSA-N 2 1 377.617 3.859 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000659364982 838327162 /nfs/dbraw/zinc/32/71/62/838327162.db2.gz CNLSCAIGELPSDK-JOCHJYFZSA-N 2 1 381.520 3.832 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1 ZINC000122671934 838340525 /nfs/dbraw/zinc/34/05/25/838340525.db2.gz GHIINUUQDARVNE-IRXDYDNUSA-N 2 1 383.517 3.694 20 0 GHADMP C[C@@H](NCC(=O)Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000181776439 838636207 /nfs/dbraw/zinc/63/62/07/838636207.db2.gz VJPNVNJROBOSPU-QGZVFWFLSA-N 2 1 393.487 3.554 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405469 838691980 /nfs/dbraw/zinc/69/19/80/838691980.db2.gz SPHZRSZJQYKFCX-DYESRHJHSA-N 2 1 375.532 3.540 20 0 GHADMP C[C@H](Cc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376903118 838816680 /nfs/dbraw/zinc/81/66/80/838816680.db2.gz LFXNJRZFCBNSAZ-HXUWFJFHSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471548195 839136554 /nfs/dbraw/zinc/13/65/54/839136554.db2.gz QIPZTBLJVFEGMH-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP [NH3+]CCC[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000415070948 839152497 /nfs/dbraw/zinc/15/24/97/839152497.db2.gz RTRNWOBHFIJDGF-HXUWFJFHSA-N 2 1 398.576 3.837 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000415117032 839230491 /nfs/dbraw/zinc/23/04/91/839230491.db2.gz ZETXIDOTHFMYMQ-DLBZAZTESA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+]C1(CNCc2cc(F)cc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415124531 839245990 /nfs/dbraw/zinc/24/59/90/839245990.db2.gz CMAJXNKTYKOWBJ-UHFFFAOYSA-N 2 1 395.444 3.928 20 0 GHADMP CC(C)[NH+](CCCNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000472740210 839349432 /nfs/dbraw/zinc/34/94/32/839349432.db2.gz WXZQZHDJWDQRHL-LJQANCHMSA-N 2 1 390.572 3.710 20 0 GHADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000549241515 839493980 /nfs/dbraw/zinc/49/39/80/839493980.db2.gz SLYYTGUBJZCVPH-WOJBJXKFSA-N 2 1 384.568 3.687 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000580554481 839801035 /nfs/dbraw/zinc/80/10/35/839801035.db2.gz XCGOUTVYNUHYBL-KPFFTGBYSA-N 2 1 378.969 3.978 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000580554481 839801041 /nfs/dbraw/zinc/80/10/41/839801041.db2.gz XCGOUTVYNUHYBL-KPFFTGBYSA-N 2 1 378.969 3.978 20 0 GHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000644554424 839808104 /nfs/dbraw/zinc/80/81/04/839808104.db2.gz PMOVOQDREBYVEO-LCWAXJCOSA-N 2 1 382.470 3.723 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1C ZINC000580593811 839873626 /nfs/dbraw/zinc/87/36/26/839873626.db2.gz FXJUYSQTBSTOQZ-JWTNVVGKSA-N 2 1 399.608 3.965 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1C ZINC000580593811 839873635 /nfs/dbraw/zinc/87/36/35/839873635.db2.gz FXJUYSQTBSTOQZ-JWTNVVGKSA-N 2 1 399.608 3.965 20 0 GHADMP CCN(Cc1ccc(Cl)cc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000580656625 839970359 /nfs/dbraw/zinc/97/03/59/839970359.db2.gz CZLHYVWBRCHVPQ-UHFFFAOYSA-N 2 1 391.987 3.885 20 0 GHADMP c1c2ccccc2[nH]c1CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000684021466 839992288 /nfs/dbraw/zinc/99/22/88/839992288.db2.gz VIBHBRDNTFQZMW-HXUWFJFHSA-N 2 1 389.547 3.597 20 0 GHADMP Clc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)co2)cc1 ZINC000051959025 844494781 /nfs/dbraw/zinc/49/47/81/844494781.db2.gz FCKLKHCPOWVGNE-UHFFFAOYSA-N 2 1 375.900 3.539 20 0 GHADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000580705293 840029419 /nfs/dbraw/zinc/02/94/19/840029419.db2.gz SPQAEGHUUKLJTP-NFBKMPQASA-N 2 1 394.559 3.842 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000580797018 840190685 /nfs/dbraw/zinc/19/06/85/840190685.db2.gz NPOQVFUKDIUMBP-GBXCKJPGSA-N 2 1 382.548 3.850 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)c1ccccc1Cl ZINC000416861808 840229632 /nfs/dbraw/zinc/22/96/32/840229632.db2.gz XGUHSRKPVZGYNY-WOJBJXKFSA-N 2 1 388.943 3.722 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418469082 840280620 /nfs/dbraw/zinc/28/06/20/840280620.db2.gz BEUHUHBPBWFPIY-KNQAVFIVSA-N 2 1 394.563 3.760 20 0 GHADMP CCN(C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418482372 840301452 /nfs/dbraw/zinc/30/14/52/840301452.db2.gz FAUSMHDWYZAISS-XMSQKQJNSA-N 2 1 380.536 3.512 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000416976646 840321063 /nfs/dbraw/zinc/32/10/63/840321063.db2.gz OTDXAZMRSRLQTG-WMZHIEFXSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000416969896 840326056 /nfs/dbraw/zinc/32/60/56/840326056.db2.gz LVAQWKWWUPMSKM-OALUTQOASA-N 2 1 394.563 3.938 20 0 GHADMP C[C@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417026802 840384404 /nfs/dbraw/zinc/38/44/04/840384404.db2.gz LTTUKUZEXJRXRA-IBGZPJMESA-N 2 1 380.536 3.529 20 0 GHADMP C[C@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000417026802 840384411 /nfs/dbraw/zinc/38/44/11/840384411.db2.gz LTTUKUZEXJRXRA-IBGZPJMESA-N 2 1 380.536 3.529 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417049795 840409393 /nfs/dbraw/zinc/40/93/93/840409393.db2.gz VEDXACRGGZMZIX-XMSQKQJNSA-N 2 1 382.552 3.651 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)c2cccs2)CC1 ZINC000581027496 840603333 /nfs/dbraw/zinc/60/33/33/840603333.db2.gz SQTHSYDKJAQHIS-VSERLBFKSA-N 2 1 377.504 3.618 20 0 GHADMP CO[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCOC1 ZINC000660492416 840657756 /nfs/dbraw/zinc/65/77/56/840657756.db2.gz SDJZGGINPCAVNZ-DTSDLKNUSA-N 2 1 392.971 3.895 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)CC1 ZINC000511616345 840679534 /nfs/dbraw/zinc/67/95/34/840679534.db2.gz JDGDAJFJKIIHIN-UHFFFAOYSA-N 2 1 393.522 3.698 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)CC1 ZINC000511616345 840679543 /nfs/dbraw/zinc/67/95/43/840679543.db2.gz JDGDAJFJKIIHIN-UHFFFAOYSA-N 2 1 393.522 3.698 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C)cc3SC)CC2)CC1 ZINC000584729700 840692005 /nfs/dbraw/zinc/69/20/05/840692005.db2.gz JQMNPQJLPYZYJV-UHFFFAOYSA-N 2 1 389.609 3.529 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000652117345 840803859 /nfs/dbraw/zinc/80/38/59/840803859.db2.gz WDGDXHDXTUKBQJ-WBVHZDCISA-N 2 1 376.932 3.512 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000652125236 840890742 /nfs/dbraw/zinc/89/07/42/840890742.db2.gz JVZZVVBNQBWPNX-IBGZPJMESA-N 2 1 394.563 3.637 20 0 GHADMP [NH3+][C@@H](c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656455688 840979192 /nfs/dbraw/zinc/97/91/92/840979192.db2.gz MXIQBKVCNFUKKX-OXQOHEQNSA-N 2 1 385.874 3.566 20 0 GHADMP [NH3+][C@@H](c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656455688 840979201 /nfs/dbraw/zinc/97/92/01/840979201.db2.gz MXIQBKVCNFUKKX-OXQOHEQNSA-N 2 1 385.874 3.566 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000584827119 840994824 /nfs/dbraw/zinc/99/48/24/840994824.db2.gz HBKNOQJFPCLWPW-APWZRJJASA-N 2 1 396.510 3.646 20 0 GHADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000430551688 841037960 /nfs/dbraw/zinc/03/79/60/841037960.db2.gz MNPXCNTZDIPPBV-UHFFFAOYSA-N 2 1 389.927 3.644 20 0 GHADMP [NH3+][C@H](c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656469017 841052077 /nfs/dbraw/zinc/05/20/77/841052077.db2.gz YOGFFXXRNIETFV-IERDGZPVSA-N 2 1 399.901 3.641 20 0 GHADMP [NH3+][C@H](c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656469017 841052088 /nfs/dbraw/zinc/05/20/88/841052088.db2.gz YOGFFXXRNIETFV-IERDGZPVSA-N 2 1 399.901 3.641 20 0 GHADMP O=C(CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000660680415 841085404 /nfs/dbraw/zinc/08/54/04/841085404.db2.gz YEOOIJFMBPJXRY-XMMPIXPASA-N 2 1 391.559 3.825 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430559195 841092650 /nfs/dbraw/zinc/09/26/50/841092650.db2.gz ZYGGFJHBSJUANL-JCKWVBRZSA-N 2 1 384.351 3.716 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430559195 841092660 /nfs/dbraw/zinc/09/26/60/841092660.db2.gz ZYGGFJHBSJUANL-JCKWVBRZSA-N 2 1 384.351 3.716 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000473513462 844615284 /nfs/dbraw/zinc/61/52/84/844615284.db2.gz FPQOTXUJEJNART-XMMPIXPASA-N 2 1 383.580 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000417856593 841222609 /nfs/dbraw/zinc/22/26/09/841222609.db2.gz MWBDUTZTQXDURA-QGZVFWFLSA-N 2 1 383.540 3.792 20 0 GHADMP CSc1ccccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364173116 841290253 /nfs/dbraw/zinc/29/02/53/841290253.db2.gz DEVNGDCYMVHEJK-UHFFFAOYSA-N 2 1 389.609 3.677 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549528156 841356102 /nfs/dbraw/zinc/35/61/02/841356102.db2.gz ULHGZIVHXIUFJY-LJQANCHMSA-N 2 1 381.358 3.917 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418016481 841386373 /nfs/dbraw/zinc/38/63/73/841386373.db2.gz ZXBLCXWKYOHHON-MDASCCDHSA-N 2 1 398.954 3.820 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H](C)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418016481 841386384 /nfs/dbraw/zinc/38/63/84/841386384.db2.gz ZXBLCXWKYOHHON-MDASCCDHSA-N 2 1 398.954 3.820 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[N@@H+]1C ZINC000124572100 841408369 /nfs/dbraw/zinc/40/83/69/841408369.db2.gz GMZQCYVZYNMURS-PWSUYJOCSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[N@H+]1C ZINC000124572100 841408372 /nfs/dbraw/zinc/40/83/72/841408372.db2.gz GMZQCYVZYNMURS-PWSUYJOCSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500098630 841428997 /nfs/dbraw/zinc/42/89/97/841428997.db2.gz QQIBFXKQTSEDAF-XLIONFOSSA-N 2 1 383.502 3.911 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(COC(C)C)c3)CC2)CC1 ZINC000581497084 841546729 /nfs/dbraw/zinc/54/67/29/841546729.db2.gz KJVNEEQTJDPRLY-UHFFFAOYSA-N 2 1 387.568 3.746 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]([NH3+])c3ccc(F)cc3F)c2)CC1 ZINC000662802686 841661894 /nfs/dbraw/zinc/66/18/94/841661894.db2.gz QGODHBWSAJTRBT-OAQYLSRUSA-N 2 1 387.474 3.878 20 0 GHADMP Cc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000661371765 841683710 /nfs/dbraw/zinc/68/37/10/841683710.db2.gz PLNWKRUSGVWWTJ-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000661371765 841683713 /nfs/dbraw/zinc/68/37/13/841683713.db2.gz PLNWKRUSGVWWTJ-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000581615796 841789975 /nfs/dbraw/zinc/78/99/75/841789975.db2.gz SZWDEWHUDRYVRT-UHFFFAOYSA-N 2 1 392.341 3.796 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000581615796 841789979 /nfs/dbraw/zinc/78/99/79/841789979.db2.gz SZWDEWHUDRYVRT-UHFFFAOYSA-N 2 1 392.341 3.796 20 0 GHADMP COc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000045806692 841794272 /nfs/dbraw/zinc/79/42/72/841794272.db2.gz PECVODQOMUSMPQ-UHFFFAOYSA-N 2 1 384.524 3.833 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185738945 861249828 /nfs/dbraw/zinc/24/98/28/861249828.db2.gz LYLHXXUQURKLLR-QHAWAJNXSA-N 2 1 396.579 3.873 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185738945 861249838 /nfs/dbraw/zinc/24/98/38/861249838.db2.gz LYLHXXUQURKLLR-QHAWAJNXSA-N 2 1 396.579 3.873 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185738945 861249847 /nfs/dbraw/zinc/24/98/47/861249847.db2.gz LYLHXXUQURKLLR-QHAWAJNXSA-N 2 1 396.579 3.873 20 0 GHADMP Cc1cc(Br)cn2c(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)cnc12 ZINC000656786707 841924697 /nfs/dbraw/zinc/92/46/97/841924697.db2.gz PRLOTLMQCOIEPM-MRXNPFEDSA-N 2 1 391.357 3.617 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457494 842008000 /nfs/dbraw/zinc/00/80/00/842008000.db2.gz HAQDFPNNDUDWHL-GZGNHOFSSA-N 3 1 391.559 3.744 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457494 842008014 /nfs/dbraw/zinc/00/80/14/842008014.db2.gz HAQDFPNNDUDWHL-GZGNHOFSSA-N 2 1 391.559 3.744 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457494 842008028 /nfs/dbraw/zinc/00/80/28/842008028.db2.gz HAQDFPNNDUDWHL-GZGNHOFSSA-N 2 1 391.559 3.744 20 0 GHADMP c1ccc(CN2CCC[C@H](C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457494 842008042 /nfs/dbraw/zinc/00/80/42/842008042.db2.gz HAQDFPNNDUDWHL-GZGNHOFSSA-N 2 1 391.559 3.744 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001167826344 842056668 /nfs/dbraw/zinc/05/66/68/842056668.db2.gz XHLUFTBMFUDMPS-IBGZPJMESA-N 2 1 388.556 3.909 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001167827638 842091147 /nfs/dbraw/zinc/09/11/47/842091147.db2.gz UKHJDAWYSBQPCD-NFBKMPQASA-N 2 1 386.584 3.549 20 0 GHADMP C[N@@H+](CCOc1cccc(CNc2[nH+]ccc3[nH]ccc32)c1)C1CCOCC1 ZINC000663535723 842114524 /nfs/dbraw/zinc/11/45/24/842114524.db2.gz XJYLBZZOVVMMJK-UHFFFAOYSA-N 2 1 380.492 3.665 20 0 GHADMP CC(C)n1nccc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000474874633 861273952 /nfs/dbraw/zinc/27/39/52/861273952.db2.gz BTMPDRFHSGHTKN-BGYRXZFFSA-N 2 1 384.568 3.763 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432348029 842126557 /nfs/dbraw/zinc/12/65/57/842126557.db2.gz RFRBWYNMYHZYHB-AWEZNQCLSA-N 2 1 387.387 3.762 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432348029 842126560 /nfs/dbraw/zinc/12/65/60/842126560.db2.gz RFRBWYNMYHZYHB-AWEZNQCLSA-N 2 1 387.387 3.762 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000652286082 842144042 /nfs/dbraw/zinc/14/40/42/842144042.db2.gz MFABNJYTCIJZBT-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581857047 842313463 /nfs/dbraw/zinc/31/34/63/842313463.db2.gz CAIINCFGGYSJRM-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)C2)C1 ZINC000652349103 842327627 /nfs/dbraw/zinc/32/76/27/842327627.db2.gz ALAAAEWJKNMFDT-SJBKTWHCSA-N 2 1 390.531 3.720 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cs2)c1 ZINC000652348386 842332248 /nfs/dbraw/zinc/33/22/48/842332248.db2.gz BRQCNYADMQZOIO-ABSDTBQOSA-N 2 1 387.549 3.537 20 0 GHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)c(OC)c1 ZINC000652355214 842354799 /nfs/dbraw/zinc/35/47/99/842354799.db2.gz RDTGVHATJNZSBE-KSSFIOAISA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)c(OC)c1 ZINC000652355214 842354812 /nfs/dbraw/zinc/35/48/12/842354812.db2.gz RDTGVHATJNZSBE-KSSFIOAISA-N 2 1 375.538 3.777 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cncc(OCc3ccccc3)c2)C1 ZINC000652364029 842372384 /nfs/dbraw/zinc/37/23/84/842372384.db2.gz VRIBOKNZALZGRI-PUHATCMVSA-N 2 1 381.520 3.521 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000673667006 861335368 /nfs/dbraw/zinc/33/53/68/861335368.db2.gz MLCQRAJLZNLFOC-RTBURBONSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000673667006 861335374 /nfs/dbraw/zinc/33/53/74/861335374.db2.gz MLCQRAJLZNLFOC-RTBURBONSA-N 2 1 397.485 3.689 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H](Nc2ccccc2)C1)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000251143364 842737533 /nfs/dbraw/zinc/73/75/33/842737533.db2.gz WWBYRTMQRYVCQX-GCORVILKSA-N 2 1 378.564 3.995 20 0 GHADMP C[C@@H](C[NH+]1CC[C@H](Nc2ccccc2)C1)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000251143364 842737541 /nfs/dbraw/zinc/73/75/41/842737541.db2.gz WWBYRTMQRYVCQX-GCORVILKSA-N 2 1 378.564 3.995 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OCC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000512181437 842801818 /nfs/dbraw/zinc/80/18/18/842801818.db2.gz BWZGQDMEIBXCQS-CALCHBBNSA-N 2 1 382.495 3.652 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(Br)c1 ZINC000581959200 842818472 /nfs/dbraw/zinc/81/84/72/842818472.db2.gz XJHCZVLVFUCYHF-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2c1CC[NH2+]C2 ZINC000662249448 843016102 /nfs/dbraw/zinc/01/61/02/843016102.db2.gz NWDCVUBLUITBDM-UHFFFAOYSA-N 2 1 391.437 3.812 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc2c1CC[NH2+]C2 ZINC000662249448 843016112 /nfs/dbraw/zinc/01/61/12/843016112.db2.gz NWDCVUBLUITBDM-UHFFFAOYSA-N 2 1 391.437 3.812 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)cc1 ZINC000662291222 843080820 /nfs/dbraw/zinc/08/08/20/843080820.db2.gz PXPLPCYVAZIRJM-INIZCTEOSA-N 2 1 394.441 3.967 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000673681640 861384333 /nfs/dbraw/zinc/38/43/33/861384333.db2.gz LBDQEBZHPQWFKO-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000673681640 861384350 /nfs/dbraw/zinc/38/43/50/861384350.db2.gz LBDQEBZHPQWFKO-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000673681640 861384360 /nfs/dbraw/zinc/38/43/60/861384360.db2.gz LBDQEBZHPQWFKO-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP Clc1ccc(OCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662328758 843157448 /nfs/dbraw/zinc/15/74/48/843157448.db2.gz UYHFOANYKJLQAN-UHFFFAOYSA-N 2 1 388.943 3.789 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cnc12 ZINC000663345300 843257626 /nfs/dbraw/zinc/25/76/26/843257626.db2.gz ICJIUKPTUTZUKP-INIZCTEOSA-N 2 1 391.357 3.617 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000663345300 843257636 /nfs/dbraw/zinc/25/76/36/843257636.db2.gz ICJIUKPTUTZUKP-INIZCTEOSA-N 2 1 391.357 3.617 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347721 843270925 /nfs/dbraw/zinc/27/09/25/843270925.db2.gz TYYBJNAJOLEROC-GOSISDBHSA-N 2 1 388.506 3.979 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347721 843270936 /nfs/dbraw/zinc/27/09/36/843270936.db2.gz TYYBJNAJOLEROC-GOSISDBHSA-N 2 1 388.506 3.979 20 0 GHADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000430972216 843286370 /nfs/dbraw/zinc/28/63/70/843286370.db2.gz RNOQZFMMOSGSTM-UHFFFAOYSA-N 2 1 397.363 3.594 20 0 GHADMP CCN(C(=O)c1cc2c(s1)CC[NH2+]C2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662502173 843353151 /nfs/dbraw/zinc/35/31/51/843353151.db2.gz IQHLVAKEDMNFHB-QFBILLFUSA-N 2 1 383.561 3.691 20 0 GHADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432670546 843388197 /nfs/dbraw/zinc/38/81/97/843388197.db2.gz MZQLVMAVGMFHQU-RLLQIKCJSA-N 2 1 389.609 3.729 20 0 GHADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432670546 843388208 /nfs/dbraw/zinc/38/82/08/843388208.db2.gz MZQLVMAVGMFHQU-RLLQIKCJSA-N 2 1 389.609 3.729 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418661113 843510483 /nfs/dbraw/zinc/51/04/83/843510483.db2.gz PAPUOXDJHISXHG-JTHBVZDNSA-N 2 1 394.563 3.630 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662675381 843512367 /nfs/dbraw/zinc/51/23/67/843512367.db2.gz MLDDSNKXOMLTEH-GOSISDBHSA-N 2 1 377.532 3.637 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)c1 ZINC000662694906 843525852 /nfs/dbraw/zinc/52/58/52/843525852.db2.gz DCLVSSXFTDFOSF-JOCHJYFZSA-N 2 1 379.548 3.835 20 0 GHADMP [NH3+][C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(F)cc1F ZINC000662697830 843530915 /nfs/dbraw/zinc/53/09/15/843530915.db2.gz COHVVMSBAJOACE-NRFANRHFSA-N 2 1 387.474 3.657 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000431069210 843544454 /nfs/dbraw/zinc/54/44/54/843544454.db2.gz UXKDODSCVOXCEM-UHFFFAOYSA-N 2 1 398.595 3.835 20 0 GHADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1-c1ccccc1 ZINC000092035783 843559037 /nfs/dbraw/zinc/55/90/37/843559037.db2.gz YREAVPRPLUAPIS-UHFFFAOYSA-N 2 1 387.531 3.527 20 0 GHADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1-c1ccccc1 ZINC000092035783 843559047 /nfs/dbraw/zinc/55/90/47/843559047.db2.gz YREAVPRPLUAPIS-UHFFFAOYSA-N 2 1 387.531 3.527 20 0 GHADMP C[N@H+](Cc1nc(-c2ccc(Br)cc2)c[nH]1)CC1CC[NH+](C)CC1 ZINC000093089072 843658275 /nfs/dbraw/zinc/65/82/75/843658275.db2.gz ZVJHTNFNVOSWPC-UHFFFAOYSA-N 2 1 377.330 3.613 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)N2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412756 843725226 /nfs/dbraw/zinc/72/52/26/843725226.db2.gz RBRSHHFERZIOBZ-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccc(Cl)s1 ZINC000512826352 843816087 /nfs/dbraw/zinc/81/60/87/843816087.db2.gz GYQYAZOTCLHHSW-UHFFFAOYSA-N 2 1 398.016 3.599 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000500688022 843836554 /nfs/dbraw/zinc/83/65/54/843836554.db2.gz PAOHKWIZSURHOQ-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000500688022 843836568 /nfs/dbraw/zinc/83/65/68/843836568.db2.gz PAOHKWIZSURHOQ-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000500688022 843836577 /nfs/dbraw/zinc/83/65/77/843836577.db2.gz PAOHKWIZSURHOQ-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP COC(=O)c1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cs1 ZINC000894131474 843867052 /nfs/dbraw/zinc/86/70/52/843867052.db2.gz ROFGRSVFZYQTGJ-UHFFFAOYSA-N 2 1 387.549 3.925 20 0 GHADMP COc1cc(C[NH+](C(C)C)[C@@H]2CCOC2)cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000433209350 843871311 /nfs/dbraw/zinc/87/13/11/843871311.db2.gz RENVYFQBOCHMLN-FGZHOGPDSA-N 2 1 390.568 3.694 20 0 GHADMP C[NH+](C)C[C@@](C)(O)CNc1cc(C2CC2)[nH+]c2c(Br)cccc12 ZINC000432828214 844001902 /nfs/dbraw/zinc/00/19/02/844001902.db2.gz HGPYVWWWRJCHIN-SFHVURJKSA-N 2 1 378.314 3.599 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000474939731 861501899 /nfs/dbraw/zinc/50/18/99/861501899.db2.gz CFLDOFVZZLIVCP-JBYIUTFZSA-N 2 1 398.547 3.552 20 0 GHADMP c1cc2cccc(C[N@@H+]3CCC[C@@H](CN4CCN(c5ccccn5)CC4)C3)c2[nH]1 ZINC000512668014 844974610 /nfs/dbraw/zinc/97/46/10/844974610.db2.gz IJRGUIGDOKEVHY-FQEVSTJZSA-N 2 1 389.547 3.597 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512673464 844991718 /nfs/dbraw/zinc/99/17/18/844991718.db2.gz QTYOLJPDLUAMFT-GMKZXUHWSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512673464 844991732 /nfs/dbraw/zinc/99/17/32/844991732.db2.gz QTYOLJPDLUAMFT-GMKZXUHWSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000512673464 844991744 /nfs/dbraw/zinc/99/17/44/844991744.db2.gz QTYOLJPDLUAMFT-GMKZXUHWSA-N 2 1 399.623 3.766 20 0 GHADMP C[NH+]1CCC([NH+]2CCC(N=c3[nH]c4cc(Cl)cc(Cl)c4o3)CC2)CC1 ZINC000433033150 845027272 /nfs/dbraw/zinc/02/72/72/845027272.db2.gz UNAAPZDNPGNNKA-UHFFFAOYSA-N 2 1 383.323 3.527 20 0 GHADMP Brc1cccc(OCCSCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247149031 845040727 /nfs/dbraw/zinc/04/07/27/845040727.db2.gz XHXMBVKECTZCRK-SJORKVTESA-N 2 1 399.398 3.778 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576704282 845205187 /nfs/dbraw/zinc/20/51/87/845205187.db2.gz IRNKMYBEKJGZEI-GBESFXJTSA-N 2 1 379.504 3.737 20 0 GHADMP C[C@H]1C[C@H](CCNc2cc(N3CCSCC3)ncn2)C[N@H+]1Cc1ccccc1 ZINC000433765395 845331384 /nfs/dbraw/zinc/33/13/84/845331384.db2.gz HUHQFOPCJWIRTG-ICSRJNTNSA-N 2 1 397.592 3.742 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ncnc4ccc(C(C)C)cc43)CC2)CC1 ZINC000664028463 845469271 /nfs/dbraw/zinc/46/92/71/845469271.db2.gz VCNNSNXNFAEKFK-UHFFFAOYSA-N 2 1 381.568 3.750 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(c3ncnc4ccc(C(C)C)cc43)CC2)CC1 ZINC000664028463 845469278 /nfs/dbraw/zinc/46/92/78/845469278.db2.gz VCNNSNXNFAEKFK-UHFFFAOYSA-N 2 1 381.568 3.750 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)c(C)n2n1 ZINC000179417368 861571391 /nfs/dbraw/zinc/57/13/91/861571391.db2.gz QZVOUUGGCHWVKV-SJLPKXTDSA-N 2 1 383.565 3.970 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)c(C)n2n1 ZINC000179417368 861571400 /nfs/dbraw/zinc/57/14/00/861571400.db2.gz QZVOUUGGCHWVKV-SJLPKXTDSA-N 2 1 383.565 3.970 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000684663530 845521468 /nfs/dbraw/zinc/52/14/68/845521468.db2.gz WJGGCZXDJQKTKP-OAQYLSRUSA-N 2 1 390.531 3.883 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684663530 845521476 /nfs/dbraw/zinc/52/14/76/845521476.db2.gz WJGGCZXDJQKTKP-OAQYLSRUSA-N 2 1 390.531 3.883 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000513495401 845529035 /nfs/dbraw/zinc/52/90/35/845529035.db2.gz PLCUCNOVOLJJOL-CTNGQTDRSA-N 2 1 389.547 3.872 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2nccn2CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000513505285 845541740 /nfs/dbraw/zinc/54/17/40/845541740.db2.gz JEWMUYOCGIQYIJ-AEFFLSMTSA-N 2 1 380.458 3.836 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)c2)CCO1 ZINC000168162594 845544075 /nfs/dbraw/zinc/54/40/75/845544075.db2.gz UHFDYFLWJDUBDD-OAHLLOKOSA-N 2 1 394.437 3.938 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)c2)CCO1 ZINC000168162594 845544085 /nfs/dbraw/zinc/54/40/85/845544085.db2.gz UHFDYFLWJDUBDD-OAHLLOKOSA-N 2 1 394.437 3.938 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000511014192 845577480 /nfs/dbraw/zinc/57/74/80/845577480.db2.gz RJWCKQSIUNBGDK-DEOSSOPVSA-N 2 1 392.591 3.936 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000511014192 845577486 /nfs/dbraw/zinc/57/74/86/845577486.db2.gz RJWCKQSIUNBGDK-DEOSSOPVSA-N 2 1 392.591 3.936 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2c1C ZINC000472060595 845643647 /nfs/dbraw/zinc/64/36/47/845643647.db2.gz WILBJIIENPVSSB-OFNKIYASSA-N 2 1 377.532 3.757 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2c1C ZINC000472060595 845643816 /nfs/dbraw/zinc/64/38/16/845643816.db2.gz WILBJIIENPVSSB-OFNKIYASSA-N 2 1 377.532 3.757 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433964316 845675210 /nfs/dbraw/zinc/67/52/10/845675210.db2.gz IOMRIVNLYSHJHE-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433964316 845675214 /nfs/dbraw/zinc/67/52/14/845675214.db2.gz IOMRIVNLYSHJHE-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433964316 845675222 /nfs/dbraw/zinc/67/52/22/845675222.db2.gz IOMRIVNLYSHJHE-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000472089972 845787737 /nfs/dbraw/zinc/78/77/37/845787737.db2.gz IZZXDFWSIDBBFZ-QUCCMNQESA-N 2 1 394.629 3.894 20 0 GHADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000481529634 861610764 /nfs/dbraw/zinc/61/07/64/861610764.db2.gz QJXBUBZQRHYAKH-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@H]1O ZINC000481529634 861610768 /nfs/dbraw/zinc/61/07/68/861610768.db2.gz QJXBUBZQRHYAKH-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@H]1O ZINC000481529634 861610772 /nfs/dbraw/zinc/61/07/72/861610772.db2.gz QJXBUBZQRHYAKH-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000563210857 845918175 /nfs/dbraw/zinc/91/81/75/845918175.db2.gz SPMYZTHPXAUNJX-SFHVURJKSA-N 2 1 384.351 3.606 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000669708400 861633671 /nfs/dbraw/zinc/63/36/71/861633671.db2.gz PPHWZYSWQBMNHS-FCUDFIOSSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000669708400 861633677 /nfs/dbraw/zinc/63/36/77/861633677.db2.gz PPHWZYSWQBMNHS-FCUDFIOSSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000669708400 861633682 /nfs/dbraw/zinc/63/36/82/861633682.db2.gz PPHWZYSWQBMNHS-FCUDFIOSSA-N 2 1 381.486 3.821 20 0 GHADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513656380 846197970 /nfs/dbraw/zinc/19/79/70/846197970.db2.gz RZTRNQGRXYOOAJ-YFNKSVMNSA-N 2 1 380.580 3.860 20 0 GHADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513656379 846198201 /nfs/dbraw/zinc/19/82/01/846198201.db2.gz RZTRNQGRXYOOAJ-QPTUXGOLSA-N 2 1 380.580 3.860 20 0 GHADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513678423 846225360 /nfs/dbraw/zinc/22/53/60/846225360.db2.gz MYSXPXBGJGRTKT-TZRRMPRUSA-N 2 1 391.559 3.827 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502747346 846428219 /nfs/dbraw/zinc/42/82/19/846428219.db2.gz DYFRKGHILYODBG-MOPGFXCFSA-N 2 1 397.567 3.790 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000559566306 846500582 /nfs/dbraw/zinc/50/05/82/846500582.db2.gz FQZBFYQXZJIEHW-KUHUBIRLSA-N 2 1 386.858 3.550 20 0 GHADMP C(=C/C[N@H+]1CC[C@H](Cc2nccs2)C1)\C[NH+]1CC[C@H](Cc2nccs2)C1 ZINC000934329980 846529325 /nfs/dbraw/zinc/52/93/25/846529325.db2.gz DDOQMKZZCKZPGW-ZHEVZCJESA-N 2 1 388.606 3.585 20 0 GHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000502877773 846564365 /nfs/dbraw/zinc/56/43/65/846564365.db2.gz WTOPZMPJGDYNTQ-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000502877773 846564377 /nfs/dbraw/zinc/56/43/77/846564377.db2.gz WTOPZMPJGDYNTQ-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050071 846578350 /nfs/dbraw/zinc/57/83/50/846578350.db2.gz KRDOOTLXOVIKHX-WOJBJXKFSA-N 2 1 394.563 3.804 20 0 GHADMP CSc1ccccc1NC(=O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501056428 846587883 /nfs/dbraw/zinc/58/78/83/846587883.db2.gz WKHOOGZCLWBQAZ-UHFFFAOYSA-N 2 1 398.576 3.981 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501160964 846691349 /nfs/dbraw/zinc/69/13/49/846691349.db2.gz DBJJERWJRDQKSU-JENIJYKNSA-N 2 1 380.602 3.551 20 0 GHADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000503080591 846784526 /nfs/dbraw/zinc/78/45/26/846784526.db2.gz MFWQFVHAOAPKGF-LJQANCHMSA-N 2 1 380.492 3.612 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000503080591 846784546 /nfs/dbraw/zinc/78/45/46/846784546.db2.gz MFWQFVHAOAPKGF-LJQANCHMSA-N 2 1 380.492 3.612 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000503086062 846789782 /nfs/dbraw/zinc/78/97/82/846789782.db2.gz JKXITOACESVRFB-FQEVSTJZSA-N 2 1 388.531 3.946 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000503086062 846789795 /nfs/dbraw/zinc/78/97/95/846789795.db2.gz JKXITOACESVRFB-FQEVSTJZSA-N 2 1 388.531 3.946 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657386698 846801329 /nfs/dbraw/zinc/80/13/29/846801329.db2.gz JJZJJQZTGQMRIK-FOVJLYNBSA-N 2 1 380.532 3.855 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000501547643 846995134 /nfs/dbraw/zinc/99/51/34/846995134.db2.gz BUVNVEHWNUTMEH-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272308783 847043989 /nfs/dbraw/zinc/04/39/89/847043989.db2.gz ILRVMVIPLJGMOK-NZQKXSOJSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272415043 847072450 /nfs/dbraw/zinc/07/24/50/847072450.db2.gz GAQLFZXAEZIYKM-ZBFHGGJFSA-N 2 1 391.437 3.543 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272415043 847072461 /nfs/dbraw/zinc/07/24/61/847072461.db2.gz GAQLFZXAEZIYKM-ZBFHGGJFSA-N 2 1 391.437 3.543 20 0 GHADMP Fc1ccc(C(CCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccc(F)cc2)cc1 ZINC000420345884 847122714 /nfs/dbraw/zinc/12/27/14/847122714.db2.gz BWEIXLYVQHOUFN-HSZRJFAPSA-N 2 1 399.529 3.856 20 0 GHADMP [NH3+]C[C@@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCCCC1 ZINC000420356954 847136885 /nfs/dbraw/zinc/13/68/85/847136885.db2.gz CZWZJNCPYLWDOH-KNQAVFIVSA-N 2 1 385.577 3.841 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000420368940 847144020 /nfs/dbraw/zinc/14/40/20/847144020.db2.gz XBJAMIWGOJAHRV-MOPGFXCFSA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000420368940 847144027 /nfs/dbraw/zinc/14/40/27/847144027.db2.gz XBJAMIWGOJAHRV-MOPGFXCFSA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000420368940 847144033 /nfs/dbraw/zinc/14/40/33/847144033.db2.gz XBJAMIWGOJAHRV-MOPGFXCFSA-N 2 1 378.520 3.802 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000501784890 847182774 /nfs/dbraw/zinc/18/27/74/847182774.db2.gz JUYRRBYEPXLVHO-FQEVSTJZSA-N 2 1 389.584 3.701 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000582420294 847191175 /nfs/dbraw/zinc/19/11/75/847191175.db2.gz LMATZIKSKAMQOK-AMGIVPHBSA-N 2 1 382.573 3.852 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000582420294 847191184 /nfs/dbraw/zinc/19/11/84/847191184.db2.gz LMATZIKSKAMQOK-AMGIVPHBSA-N 2 1 382.573 3.852 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000272905236 847204749 /nfs/dbraw/zinc/20/47/49/847204749.db2.gz QIWAFSHOTNHKMP-FXAWDEMLSA-N 2 1 393.597 3.687 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000272905236 847204756 /nfs/dbraw/zinc/20/47/56/847204756.db2.gz QIWAFSHOTNHKMP-FXAWDEMLSA-N 2 1 393.597 3.687 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857140 847282464 /nfs/dbraw/zinc/28/24/64/847282464.db2.gz UHPPLEOLJRFRRP-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000422246124 847489599 /nfs/dbraw/zinc/48/95/99/847489599.db2.gz RIANZDBHEGJKGP-FTWXPCQCSA-N 2 1 386.584 3.726 20 0 GHADMP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503404533 847668659 /nfs/dbraw/zinc/66/86/59/847668659.db2.gz GYJJDYFOABTBAY-QUCCMNQESA-N 2 1 392.547 3.767 20 0 GHADMP C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503404533 847668664 /nfs/dbraw/zinc/66/86/64/847668664.db2.gz GYJJDYFOABTBAY-QUCCMNQESA-N 2 1 392.547 3.767 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422877867 847865354 /nfs/dbraw/zinc/86/53/54/847865354.db2.gz SCQTUYDLYUSCGJ-LAUBAEHRSA-N 2 1 390.430 3.642 20 0 GHADMP CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422889424 847872705 /nfs/dbraw/zinc/87/27/05/847872705.db2.gz PLZWEQDYMNBFEW-PCCBWWKXSA-N 2 1 392.609 3.658 20 0 GHADMP COc1ccc([C@H](NCc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422896751 847890156 /nfs/dbraw/zinc/89/01/56/847890156.db2.gz AWRNHBVEGUFZJN-GMAHTHKFSA-N 2 1 394.494 3.911 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)[NH+](C)C)cc1 ZINC000611675666 847892137 /nfs/dbraw/zinc/89/21/37/847892137.db2.gz PNPMPAJJQYMCAF-PKTZIBPZSA-N 2 1 394.563 3.550 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)[NH+](C)C)cc1 ZINC000611675666 847892147 /nfs/dbraw/zinc/89/21/47/847892147.db2.gz PNPMPAJJQYMCAF-PKTZIBPZSA-N 2 1 394.563 3.550 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)cc2)C1 ZINC000657598242 848299648 /nfs/dbraw/zinc/29/96/48/848299648.db2.gz ZGIAXGMHWZAJFH-HXUWFJFHSA-N 2 1 379.529 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)cc2)C1 ZINC000657598242 848299656 /nfs/dbraw/zinc/29/96/56/848299656.db2.gz ZGIAXGMHWZAJFH-HXUWFJFHSA-N 2 1 379.529 3.667 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000582903296 848674782 /nfs/dbraw/zinc/67/47/82/848674782.db2.gz ZNNWRQKWHKFUBY-KGVIQGDOSA-N 2 1 395.547 3.961 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000582903296 848674791 /nfs/dbraw/zinc/67/47/91/848674791.db2.gz ZNNWRQKWHKFUBY-KGVIQGDOSA-N 2 1 395.547 3.961 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000458384180 849063865 /nfs/dbraw/zinc/06/38/65/849063865.db2.gz UOECKVHQADGUQV-SEJPIABJSA-N 2 1 386.584 3.602 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H]1c1cccs1 ZINC000673863713 861993471 /nfs/dbraw/zinc/99/34/71/861993471.db2.gz KWQOAXAZQUHYKS-DNVCBOLYSA-N 2 1 396.520 3.533 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCOc3ccccc32)CC1 ZINC001167658618 849303607 /nfs/dbraw/zinc/30/36/07/849303607.db2.gz JFKZEBSZVNHBDQ-HXUWFJFHSA-N 2 1 399.579 3.779 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000472282126 849321551 /nfs/dbraw/zinc/32/15/51/849321551.db2.gz NUJXVEWMZBNDAT-GOSISDBHSA-N 2 1 377.916 3.928 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000458442204 849396811 /nfs/dbraw/zinc/39/68/11/849396811.db2.gz WGUHZJAHDDNDHU-SJLPKXTDSA-N 2 1 380.602 3.551 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000458442202 849397161 /nfs/dbraw/zinc/39/71/61/849397161.db2.gz WGUHZJAHDDNDHU-AEFFLSMTSA-N 2 1 380.602 3.551 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(-c2ccccc2)cc1OC ZINC000657752381 849631235 /nfs/dbraw/zinc/63/12/35/849631235.db2.gz ZHJCZDFTHNWVHP-NRFANRHFSA-N 2 1 396.531 3.714 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853128 849756626 /nfs/dbraw/zinc/75/66/26/849756626.db2.gz RWLAUCLWYKYTIA-GUYCJALGSA-N 2 1 382.346 3.663 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@@H](C)C1 ZINC000503913533 849773246 /nfs/dbraw/zinc/77/32/46/849773246.db2.gz WCAWQQSABPUZIK-WBKMXMRLSA-N 2 1 378.532 3.807 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000504289995 849999752 /nfs/dbraw/zinc/99/97/52/849999752.db2.gz QCRVLIVEHGIXTN-ABSDTBQOSA-N 2 1 392.975 3.649 20 0 GHADMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H](C)[NH3+] ZINC000423813728 850068164 /nfs/dbraw/zinc/06/81/64/850068164.db2.gz SGELMFPIXAXZIM-FZKQIMNGSA-N 2 1 386.367 3.693 20 0 GHADMP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423856603 850085547 /nfs/dbraw/zinc/08/55/47/850085547.db2.gz XDAKQZOSVPUZCT-JOCHJYFZSA-N 2 1 383.580 3.799 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Cl)cc1 ZINC000518781845 850143837 /nfs/dbraw/zinc/14/38/37/850143837.db2.gz ZEUGHDKRGRRPDG-XLIONFOSSA-N 2 1 388.943 3.607 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Cl)cc1 ZINC000518781845 850143843 /nfs/dbraw/zinc/14/38/43/850143843.db2.gz ZEUGHDKRGRRPDG-XLIONFOSSA-N 2 1 388.943 3.607 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)c(OC)cc3Cl)CC2)CC1 ZINC000514799387 850304704 /nfs/dbraw/zinc/30/47/04/850304704.db2.gz UGVLXUYUNNUDBJ-UHFFFAOYSA-N 2 1 393.959 3.792 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)N(C)C(c1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424295234 850338223 /nfs/dbraw/zinc/33/82/23/850338223.db2.gz QZEMICDMJCMIDA-FQEVSTJZSA-N 2 1 391.559 3.698 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)CCN1C ZINC000424285423 850354704 /nfs/dbraw/zinc/35/47/04/850354704.db2.gz DXOVVAZHKUQUQI-QMTHXVAHSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)CC[N@@H+]1C ZINC000424285423 850354711 /nfs/dbraw/zinc/35/47/11/850354711.db2.gz DXOVVAZHKUQUQI-QMTHXVAHSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(I)c2)CC[N@H+]1C ZINC000424285423 850354723 /nfs/dbraw/zinc/35/47/23/850354723.db2.gz DXOVVAZHKUQUQI-QMTHXVAHSA-N 2 1 378.685 3.517 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3cc(F)cc(F)c3)C2)CC1 ZINC000435335512 850385606 /nfs/dbraw/zinc/38/56/06/850385606.db2.gz IPKCNXKJPRMRCA-QGZVFWFLSA-N 2 1 379.495 3.737 20 0 GHADMP COc1ccc(OCc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000435373623 850420692 /nfs/dbraw/zinc/42/06/92/850420692.db2.gz FOMYWGLWPYCEIR-FQEVSTJZSA-N 2 1 387.549 3.695 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCCOc1ccccc1Cl ZINC000435375319 850423926 /nfs/dbraw/zinc/42/39/26/850423926.db2.gz LXFSKJWUEHWMPW-QGZVFWFLSA-N 2 1 390.911 3.587 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCCOc1ccccc1Cl ZINC000435375319 850423935 /nfs/dbraw/zinc/42/39/35/850423935.db2.gz LXFSKJWUEHWMPW-QGZVFWFLSA-N 2 1 390.911 3.587 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000435376002 850425080 /nfs/dbraw/zinc/42/50/80/850425080.db2.gz XRSHVRXWAJRBGF-UHFFFAOYSA-N 2 1 377.330 3.661 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC[NH2+]CC2 ZINC000424386036 850425678 /nfs/dbraw/zinc/42/56/78/850425678.db2.gz WTKQOKJKDLRHQW-IBGZPJMESA-N 2 1 387.531 3.898 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000522599588 862155284 /nfs/dbraw/zinc/15/52/84/862155284.db2.gz WCCYLTHPJHJIEM-LJQANCHMSA-N 2 1 386.584 3.728 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435618038 850702972 /nfs/dbraw/zinc/70/29/72/850702972.db2.gz PHTWYKSKYCZMJW-LJQANCHMSA-N 2 1 384.499 3.502 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435618038 850702981 /nfs/dbraw/zinc/70/29/81/850702981.db2.gz PHTWYKSKYCZMJW-LJQANCHMSA-N 2 1 384.499 3.502 20 0 GHADMP Cc1ccc(SCC[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435683876 850749085 /nfs/dbraw/zinc/74/90/85/850749085.db2.gz SMSASQDJMADHFJ-HXUWFJFHSA-N 2 1 384.593 3.773 20 0 GHADMP Cc1ccc(SCC[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435683876 850749091 /nfs/dbraw/zinc/74/90/91/850749091.db2.gz SMSASQDJMADHFJ-HXUWFJFHSA-N 2 1 384.593 3.773 20 0 GHADMP COc1ccc2nc(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000415008458 850749252 /nfs/dbraw/zinc/74/92/52/850749252.db2.gz SNYNUFJQWBHRNR-MAUKXSAKSA-N 2 1 385.508 3.927 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435691728 850770388 /nfs/dbraw/zinc/77/03/88/850770388.db2.gz HSUXKOHVPRVXSL-FQEVSTJZSA-N 2 1 399.560 3.730 20 0 GHADMP CSc1ccc(OCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435691718 850770501 /nfs/dbraw/zinc/77/05/01/850770501.db2.gz HROZBDQJSKTKAA-GOSISDBHSA-N 2 1 389.590 3.888 20 0 GHADMP CSc1ccc(OCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435691718 850770509 /nfs/dbraw/zinc/77/05/09/850770509.db2.gz HROZBDQJSKTKAA-GOSISDBHSA-N 2 1 389.590 3.888 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435691730 850770789 /nfs/dbraw/zinc/77/07/89/850770789.db2.gz HSUXKOHVPRVXSL-HXUWFJFHSA-N 2 1 399.560 3.730 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435693037 850771341 /nfs/dbraw/zinc/77/13/41/850771341.db2.gz IFQPKKGHKZHPDF-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435693037 850771345 /nfs/dbraw/zinc/77/13/45/850771345.db2.gz IFQPKKGHKZHPDF-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP CCc1ccccc1NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695857 850776014 /nfs/dbraw/zinc/77/60/14/850776014.db2.gz OBRGWXMJYQPWHM-FQEVSTJZSA-N 2 1 383.561 3.893 20 0 GHADMP CCc1ccccc1NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435695857 850776018 /nfs/dbraw/zinc/77/60/18/850776018.db2.gz OBRGWXMJYQPWHM-FQEVSTJZSA-N 2 1 383.561 3.893 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C(C)(C)C ZINC000522613452 862182120 /nfs/dbraw/zinc/18/21/20/862182120.db2.gz PBUGZTBFOIKWJV-ZWKOTPCHSA-N 2 1 382.980 3.608 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519418355 851041008 /nfs/dbraw/zinc/04/10/08/851041008.db2.gz SVLPSBZIYMOFSR-QFIPXVFZSA-N 2 1 397.538 3.628 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514040010 851145171 /nfs/dbraw/zinc/14/51/71/851145171.db2.gz SFKLRTDJLHKJMX-VJBWXMMDSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000514040010 851145176 /nfs/dbraw/zinc/14/51/76/851145176.db2.gz SFKLRTDJLHKJMX-VJBWXMMDSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000514040010 851145183 /nfs/dbraw/zinc/14/51/83/851145183.db2.gz SFKLRTDJLHKJMX-VJBWXMMDSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514025997 851160849 /nfs/dbraw/zinc/16/08/49/851160849.db2.gz BOKXZZIPOKBDCP-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H]2CCC[C@@H]21 ZINC000514103271 851240672 /nfs/dbraw/zinc/24/06/72/851240672.db2.gz AZLQOQIWLRPZHP-VJBWXMMDSA-N 2 1 376.548 3.607 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(O)c3nc(C)ccc23)CC1 ZINC000514127341 851268416 /nfs/dbraw/zinc/26/84/16/851268416.db2.gz SXNBQCVYMDPOTK-UHFFFAOYSA-N 2 1 385.552 3.819 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000514212742 851392496 /nfs/dbraw/zinc/39/24/96/851392496.db2.gz AAVLXWFYYPGSHP-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414881043 851409730 /nfs/dbraw/zinc/40/97/30/851409730.db2.gz RVAQLNAICRFPHF-UHFFFAOYSA-N 2 1 376.504 3.578 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000488345731 851411781 /nfs/dbraw/zinc/41/17/81/851411781.db2.gz IFEAFIOLFBZVHT-HFRGQYLWSA-N 2 1 389.971 3.568 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000488345731 851411788 /nfs/dbraw/zinc/41/17/88/851411788.db2.gz IFEAFIOLFBZVHT-HFRGQYLWSA-N 2 1 389.971 3.568 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000488345731 851411795 /nfs/dbraw/zinc/41/17/95/851411795.db2.gz IFEAFIOLFBZVHT-HFRGQYLWSA-N 2 1 389.971 3.568 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000488346020 851414656 /nfs/dbraw/zinc/41/46/56/851414656.db2.gz PJKKVLBRGAZGQP-HNNXBMFYSA-N 2 1 398.378 3.978 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC000515759361 851440591 /nfs/dbraw/zinc/44/05/91/851440591.db2.gz SDBCLSHEVFDECH-OALUTQOASA-N 2 1 397.538 3.995 20 0 GHADMP O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1c1ccccc1 ZINC000434671011 851460738 /nfs/dbraw/zinc/46/07/38/851460738.db2.gz FXGBNQPKULUPGX-NRFANRHFSA-N 2 1 378.520 3.594 20 0 GHADMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683818 851490963 /nfs/dbraw/zinc/49/09/63/851490963.db2.gz INUDRDGUDMXOMT-QZTJIDSGSA-N 2 1 392.547 3.765 20 0 GHADMP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[C@@H]1C ZINC000303146600 851535506 /nfs/dbraw/zinc/53/55/06/851535506.db2.gz FJFPJAPYRGTBFH-VIZSFHNOSA-N 2 1 385.596 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167960739 851549960 /nfs/dbraw/zinc/54/99/60/851549960.db2.gz AXZHNQZYSGZGDL-UMQXSMKFSA-N 2 1 377.573 3.771 20 0 GHADMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000515877211 851596140 /nfs/dbraw/zinc/59/61/40/851596140.db2.gz ROZPFOITLAJFSA-HSZRJFAPSA-N 2 1 379.548 3.678 20 0 GHADMP Fc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1F ZINC001167972853 851605532 /nfs/dbraw/zinc/60/55/32/851605532.db2.gz CUAKBSXPKRPLRK-SEJPIABJSA-N 2 1 389.534 3.924 20 0 GHADMP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000550142915 851736307 /nfs/dbraw/zinc/73/63/07/851736307.db2.gz NTGDUHSZFOLTGS-FQEVSTJZSA-N 2 1 385.939 3.636 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000180733666 862304458 /nfs/dbraw/zinc/30/44/58/862304458.db2.gz QSNYRAXSLHJGEZ-IAGOWNOFSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000180733666 862304473 /nfs/dbraw/zinc/30/44/73/862304473.db2.gz QSNYRAXSLHJGEZ-IAGOWNOFSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCC(F)(F)F ZINC000180733666 862304488 /nfs/dbraw/zinc/30/44/88/862304488.db2.gz QSNYRAXSLHJGEZ-IAGOWNOFSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000180733666 862304503 /nfs/dbraw/zinc/30/45/03/862304503.db2.gz QSNYRAXSLHJGEZ-IAGOWNOFSA-N 2 1 386.458 3.943 20 0 GHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180739233 862307742 /nfs/dbraw/zinc/30/77/42/862307742.db2.gz FQGRSNPXKOPMLR-FQEVSTJZSA-N 2 1 390.568 3.650 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000517652574 852207762 /nfs/dbraw/zinc/20/77/62/852207762.db2.gz HXRGQCAROFYMKT-UHFFFAOYSA-N 2 1 393.318 3.712 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516164188 852230426 /nfs/dbraw/zinc/23/04/26/852230426.db2.gz PNHIBWCJAOCPPN-KDURUIRLSA-N 2 1 380.621 3.505 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516164188 852230435 /nfs/dbraw/zinc/23/04/35/852230435.db2.gz PNHIBWCJAOCPPN-KDURUIRLSA-N 2 1 380.621 3.505 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516164188 852230439 /nfs/dbraw/zinc/23/04/39/852230439.db2.gz PNHIBWCJAOCPPN-KDURUIRLSA-N 2 1 380.621 3.505 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000150771159 852351883 /nfs/dbraw/zinc/35/18/83/852351883.db2.gz VTCJGEJJXADLPE-INIZCTEOSA-N 2 1 384.524 3.915 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000506938052 852367708 /nfs/dbraw/zinc/36/77/08/852367708.db2.gz CGKZIBUIORZPMA-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489564785 852460597 /nfs/dbraw/zinc/46/05/97/852460597.db2.gz GHEMTZRQSGISCZ-HXUWFJFHSA-N 2 1 385.596 3.915 20 0 GHADMP Cc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000489708839 852538133 /nfs/dbraw/zinc/53/81/33/852538133.db2.gz AOAVHZMKBCKZPK-TUACAJSNSA-N 2 1 399.623 3.969 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000427063808 852668324 /nfs/dbraw/zinc/66/83/24/852668324.db2.gz ZEYPUZORLUDDAO-JTHBVZDNSA-N 2 1 381.564 3.761 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000489982451 852706273 /nfs/dbraw/zinc/70/62/73/852706273.db2.gz PYGQITAYJGOPCX-PKTZIBPZSA-N 2 1 379.548 3.941 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000489982451 852706281 /nfs/dbraw/zinc/70/62/81/852706281.db2.gz PYGQITAYJGOPCX-PKTZIBPZSA-N 2 1 379.548 3.941 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507362438 852841209 /nfs/dbraw/zinc/84/12/09/852841209.db2.gz RABJRLLEHQXLFY-NRFANRHFSA-N 2 1 376.585 3.837 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507362438 852841222 /nfs/dbraw/zinc/84/12/22/852841222.db2.gz RABJRLLEHQXLFY-NRFANRHFSA-N 2 1 376.585 3.837 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000427221113 852856379 /nfs/dbraw/zinc/85/63/79/852856379.db2.gz XWNFESOJRIEYKW-UHFFFAOYSA-N 2 1 387.549 3.927 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000427301114 852953843 /nfs/dbraw/zinc/95/38/43/852953843.db2.gz HZRCAVFVVOSREQ-GHTZIAJQSA-N 2 1 397.588 3.744 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000427301114 852953849 /nfs/dbraw/zinc/95/38/49/852953849.db2.gz HZRCAVFVVOSREQ-GHTZIAJQSA-N 2 1 397.588 3.744 20 0 GHADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)CC2 ZINC000507521843 853004990 /nfs/dbraw/zinc/00/49/90/853004990.db2.gz BBKGONHOIKOKMP-XBYSBRQOSA-N 2 1 378.564 3.822 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CCc3sccc3C2)C1 ZINC000506441058 853093718 /nfs/dbraw/zinc/09/37/18/853093718.db2.gz PWNHNFRYVKWNPZ-RBUKOAKNSA-N 2 1 389.609 3.609 20 0 GHADMP O=c1[nH]c2ccccc2n1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167986443 853096421 /nfs/dbraw/zinc/09/64/21/853096421.db2.gz FABRNJKFCNPUTH-YOFSQIOKSA-N 2 1 380.536 3.784 20 0 GHADMP O=c1[nH]c2ccccc2n1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167986443 853096428 /nfs/dbraw/zinc/09/64/28/853096428.db2.gz FABRNJKFCNPUTH-YOFSQIOKSA-N 2 1 380.536 3.784 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H]3C(=O)N(C)C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168047141 862443514 /nfs/dbraw/zinc/44/35/14/862443514.db2.gz PXJMDZCFTKWNCF-MXNKGDRCSA-N 2 1 383.580 3.618 20 0 GHADMP C[N@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000647968044 853269014 /nfs/dbraw/zinc/26/90/14/853269014.db2.gz KYLUYRFFRYUATK-NRFANRHFSA-N 2 1 385.596 3.868 20 0 GHADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000647968044 853269023 /nfs/dbraw/zinc/26/90/23/853269023.db2.gz KYLUYRFFRYUATK-NRFANRHFSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518398813 853286134 /nfs/dbraw/zinc/28/61/34/853286134.db2.gz HKFIXWGDZIQPIB-FQEVSTJZSA-N 2 1 385.596 3.662 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCCC4)c2)C1 ZINC000490843159 853306283 /nfs/dbraw/zinc/30/62/83/853306283.db2.gz AGSIEBVVHATIFF-DEOSSOPVSA-N 2 1 391.559 3.553 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000519658985 853345230 /nfs/dbraw/zinc/34/52/30/853345230.db2.gz DUEROIFSQHZOBS-DEOSSOPVSA-N 2 1 385.596 3.530 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000519658985 853345239 /nfs/dbraw/zinc/34/52/39/853345239.db2.gz DUEROIFSQHZOBS-DEOSSOPVSA-N 3 1 385.596 3.530 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000519658985 853345249 /nfs/dbraw/zinc/34/52/49/853345249.db2.gz DUEROIFSQHZOBS-DEOSSOPVSA-N 3 1 385.596 3.530 20 0 GHADMP O=C(NCc1ccc(-n2ccnc2)c(F)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437659830 853388886 /nfs/dbraw/zinc/38/88/86/853388886.db2.gz XYGOTACFCOJXQD-IBGZPJMESA-N 2 1 399.514 3.608 20 0 GHADMP c1cn(-c2csc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000519728346 853412589 /nfs/dbraw/zinc/41/25/89/853412589.db2.gz DZUHPXQGRMUVNB-PMACEKPBSA-N 2 1 378.545 3.888 20 0 GHADMP c1cn(-c2csc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000519728346 853412595 /nfs/dbraw/zinc/41/25/95/853412595.db2.gz DZUHPXQGRMUVNB-PMACEKPBSA-N 2 1 378.545 3.888 20 0 GHADMP c1cn(-c2csc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000519728346 853412600 /nfs/dbraw/zinc/41/26/00/853412600.db2.gz DZUHPXQGRMUVNB-PMACEKPBSA-N 2 1 378.545 3.888 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000669117765 853415446 /nfs/dbraw/zinc/41/54/46/853415446.db2.gz IXIWXQILAQZYPS-GOSISDBHSA-N 2 1 392.547 3.664 20 0 GHADMP C[C@H](NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000518543607 853480239 /nfs/dbraw/zinc/48/02/39/853480239.db2.gz OGIOCOCIJDDOPU-XZDHIHRUSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000518543607 853480244 /nfs/dbraw/zinc/48/02/44/853480244.db2.gz OGIOCOCIJDDOPU-XZDHIHRUSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000518543607 853480245 /nfs/dbraw/zinc/48/02/45/853480245.db2.gz OGIOCOCIJDDOPU-XZDHIHRUSA-N 2 1 398.595 3.603 20 0 GHADMP CSc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440647242 853494557 /nfs/dbraw/zinc/49/45/57/853494557.db2.gz NXTOXRSYDFLRGM-NLWGTHIKSA-N 2 1 397.588 3.838 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000414914837 853578045 /nfs/dbraw/zinc/57/80/45/853578045.db2.gz YKUGLPUOFHCOJP-HXUWFJFHSA-N 2 1 377.492 3.876 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000519882330 853580231 /nfs/dbraw/zinc/58/02/31/853580231.db2.gz PXVZOMCDLXQZCS-WTIAFYNJSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000519882330 853580235 /nfs/dbraw/zinc/58/02/35/853580235.db2.gz PXVZOMCDLXQZCS-WTIAFYNJSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000519882330 853580239 /nfs/dbraw/zinc/58/02/39/853580239.db2.gz PXVZOMCDLXQZCS-WTIAFYNJSA-N 2 1 377.532 3.603 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000164081722 853678103 /nfs/dbraw/zinc/67/81/03/853678103.db2.gz XJITYHHVEVSBAE-UHFFFAOYSA-N 2 1 375.557 3.586 20 0 GHADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3cc(Br)ccc23)C[C@H](C)O1 ZINC000604757271 862497235 /nfs/dbraw/zinc/49/72/35/862497235.db2.gz VDQAWNFZLVLYCM-OKILXGFUSA-N 2 1 378.314 3.909 20 0 GHADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3cc(Br)ccc23)C[C@H](C)O1 ZINC000604757271 862497241 /nfs/dbraw/zinc/49/72/41/862497241.db2.gz VDQAWNFZLVLYCM-OKILXGFUSA-N 2 1 378.314 3.909 20 0 GHADMP CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1C ZINC000441038233 853841819 /nfs/dbraw/zinc/84/18/19/853841819.db2.gz VEBBAEBSFYZREO-UHFFFAOYSA-N 2 1 385.596 3.805 20 0 GHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000571344599 853849717 /nfs/dbraw/zinc/84/97/17/853849717.db2.gz VLTQCHSSDQPNPI-MRXNPFEDSA-N 2 1 379.426 3.945 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)C2 ZINC000571376236 853857766 /nfs/dbraw/zinc/85/77/66/853857766.db2.gz XMZBPNOCYWYLHL-SCDRESIJSA-N 2 1 376.548 3.675 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(C(F)(F)F)c1 ZINC000441211512 854002592 /nfs/dbraw/zinc/00/25/92/854002592.db2.gz YTNRFJJTDCIENC-NEWSRXKRSA-N 2 1 386.458 3.658 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000520378445 854146990 /nfs/dbraw/zinc/14/69/90/854146990.db2.gz DFYJOZVITHPGSI-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000571882061 854173172 /nfs/dbraw/zinc/17/31/72/854173172.db2.gz MZRFQXJQTRGADX-OALUTQOASA-N 2 1 392.469 3.772 20 0 GHADMP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473952922 854398196 /nfs/dbraw/zinc/39/81/96/854398196.db2.gz SIOVSRGRNWBDEY-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]2C1 ZINC001167995187 854430863 /nfs/dbraw/zinc/43/08/63/854430863.db2.gz YJHXKRGKMLWYSF-JFROBXPVSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]2C1 ZINC001167995187 854430864 /nfs/dbraw/zinc/43/08/64/854430864.db2.gz YJHXKRGKMLWYSF-JFROBXPVSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]2C1 ZINC001167995187 854430866 /nfs/dbraw/zinc/43/08/66/854430866.db2.gz YJHXKRGKMLWYSF-JFROBXPVSA-N 2 1 389.584 3.581 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000589205240 854749582 /nfs/dbraw/zinc/74/95/82/854749582.db2.gz YWVOHBHTNSATPR-QZTJIDSGSA-N 2 1 380.602 3.551 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)[NH+]2CCCCC2)cc1 ZINC000441438801 854804399 /nfs/dbraw/zinc/80/43/99/854804399.db2.gz NBUFHCKPPZAUBY-VJBMBRPKSA-N 2 1 399.579 3.603 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000624053662 862615721 /nfs/dbraw/zinc/61/57/21/862615721.db2.gz LPMACGUMZGDSTN-QXAKKESOSA-N 2 1 392.469 3.972 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000624053662 862615726 /nfs/dbraw/zinc/61/57/26/862615726.db2.gz LPMACGUMZGDSTN-QXAKKESOSA-N 2 1 392.469 3.972 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000624052757 862615781 /nfs/dbraw/zinc/61/57/81/862615781.db2.gz OTDZQKZDUXHQQM-ZHALLVOQSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000624052757 862615788 /nfs/dbraw/zinc/61/57/88/862615788.db2.gz OTDZQKZDUXHQQM-ZHALLVOQSA-N 2 1 392.469 3.829 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C[C@@H]1C ZINC000458979525 855025229 /nfs/dbraw/zinc/02/52/29/855025229.db2.gz QXSXTVWHWGBBPO-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[C@@H]1C ZINC000458979525 855025231 /nfs/dbraw/zinc/02/52/31/855025231.db2.gz QXSXTVWHWGBBPO-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@@H]1C ZINC000458979525 855025236 /nfs/dbraw/zinc/02/52/36/855025236.db2.gz QXSXTVWHWGBBPO-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1cc(Nc2ccc[nH+]c2N)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001212398388 855032747 /nfs/dbraw/zinc/03/27/47/855032747.db2.gz QYCKDJPPXUQOCT-UHFFFAOYSA-N 2 1 376.508 3.825 20 0 GHADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482017178 862632893 /nfs/dbraw/zinc/63/28/93/862632893.db2.gz NSPRRJDQCUKDKM-QHCPKHFHSA-N 2 1 398.595 3.871 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)C1 ZINC000604998744 862684722 /nfs/dbraw/zinc/68/47/22/862684722.db2.gz YCXAYHMUECQDDO-ZUCRQSCHSA-N 2 1 392.385 3.564 20 0 GHADMP CC(C)C[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000542715857 855545514 /nfs/dbraw/zinc/54/55/14/855545514.db2.gz LAXZPPQPTBEDQO-ICSRJNTNSA-N 2 1 382.552 3.644 20 0 GHADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002833 855631406 /nfs/dbraw/zinc/63/14/06/855631406.db2.gz ZQYGORCQJCWVIP-BJYDCXRDSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002833 855631410 /nfs/dbraw/zinc/63/14/10/855631410.db2.gz ZQYGORCQJCWVIP-BJYDCXRDSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002833 855631415 /nfs/dbraw/zinc/63/14/15/855631415.db2.gz ZQYGORCQJCWVIP-BJYDCXRDSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002833 855631419 /nfs/dbraw/zinc/63/14/19/855631419.db2.gz ZQYGORCQJCWVIP-BJYDCXRDSA-N 2 1 377.573 3.769 20 0 GHADMP CN(CCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)c1cc[nH+]cc1 ZINC000542786026 855793417 /nfs/dbraw/zinc/79/34/17/855793417.db2.gz UNAUCRJJXYPHEY-UHFFFAOYSA-N 2 1 394.563 3.989 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000591458724 856000327 /nfs/dbraw/zinc/00/03/27/856000327.db2.gz OPWILQVAWYSKPC-VWNXMTODSA-N 2 1 393.575 3.750 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N1CCc2sccc2C1 ZINC000482149093 862745056 /nfs/dbraw/zinc/74/50/56/862745056.db2.gz IGFNSMUZRRASHS-ZIFCJYIRSA-N 2 1 377.598 3.512 20 0 GHADMP CC[N@@H+](Cc1ccccc1C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000485040292 856034506 /nfs/dbraw/zinc/03/45/06/856034506.db2.gz BOPDNFAUXIMSPR-NRFANRHFSA-N 2 1 393.575 3.986 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C[C@@H]1C ZINC000674031773 862750053 /nfs/dbraw/zinc/75/00/53/862750053.db2.gz ZLNLBKYUYRMRHZ-ILWGZMRPSA-N 2 1 386.584 3.728 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465799193 856065969 /nfs/dbraw/zinc/06/59/69/856065969.db2.gz UDPBINHDWLNQHZ-YLJYHZDGSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465799193 856065983 /nfs/dbraw/zinc/06/59/83/856065983.db2.gz UDPBINHDWLNQHZ-YLJYHZDGSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCCCC1 ZINC000465799193 856065994 /nfs/dbraw/zinc/06/59/94/856065994.db2.gz UDPBINHDWLNQHZ-YLJYHZDGSA-N 2 1 392.613 3.695 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171306731 856085864 /nfs/dbraw/zinc/08/58/64/856085864.db2.gz PTFCZFJZXVXMAV-RTBURBONSA-N 2 1 387.568 3.570 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000030637894 856120374 /nfs/dbraw/zinc/12/03/74/856120374.db2.gz YCOAGEYOLODNAF-LJQANCHMSA-N 2 1 379.548 3.705 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1c1cccs1 ZINC000905133598 856181198 /nfs/dbraw/zinc/18/11/98/856181198.db2.gz QMOGHMAFLHJBSW-MRVWCRGKSA-N 2 1 386.430 3.669 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1c1cccs1 ZINC000905133598 856181199 /nfs/dbraw/zinc/18/11/99/856181199.db2.gz QMOGHMAFLHJBSW-MRVWCRGKSA-N 2 1 386.430 3.669 20 0 GHADMP CC[C@]1(C(C)C)C[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459173917 856215307 /nfs/dbraw/zinc/21/53/07/856215307.db2.gz YAVAVEXNFXKQSC-FYYLOGMGSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237407 856269775 /nfs/dbraw/zinc/26/97/75/856269775.db2.gz ZHGBKVNZUZGIQI-SRYPRDQNSA-N 2 1 391.559 3.853 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237407 856269786 /nfs/dbraw/zinc/26/97/86/856269786.db2.gz ZHGBKVNZUZGIQI-SRYPRDQNSA-N 2 1 391.559 3.853 20 0 GHADMP CN(C)C(=O)[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccccc1 ZINC000172623621 856346305 /nfs/dbraw/zinc/34/63/05/856346305.db2.gz KNTUPIYKMAUQHW-HSZRJFAPSA-N 2 1 394.563 3.706 20 0 GHADMP CN(C)C(=O)[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccccc1 ZINC000172623617 856346372 /nfs/dbraw/zinc/34/63/72/856346372.db2.gz KNTUPIYKMAUQHW-QHCPKHFHSA-N 2 1 394.563 3.706 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC2)cc1 ZINC000485329791 856371199 /nfs/dbraw/zinc/37/11/99/856371199.db2.gz JNVJHAGQJJRVMB-BJKOFHAPSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)cc1 ZINC000485329791 856371210 /nfs/dbraw/zinc/37/12/10/856371210.db2.gz JNVJHAGQJJRVMB-BJKOFHAPSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC2)cc1 ZINC000485329791 856371217 /nfs/dbraw/zinc/37/12/17/856371217.db2.gz JNVJHAGQJJRVMB-BJKOFHAPSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC2)cc1 ZINC000485329791 856371224 /nfs/dbraw/zinc/37/12/24/856371224.db2.gz JNVJHAGQJJRVMB-BJKOFHAPSA-N 2 1 397.607 3.582 20 0 GHADMP C[C@H](N[C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485356633 856392087 /nfs/dbraw/zinc/39/20/87/856392087.db2.gz KDKHYSJTUJXVFU-IEIRFRATSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485356633 856392089 /nfs/dbraw/zinc/39/20/89/856392089.db2.gz KDKHYSJTUJXVFU-IEIRFRATSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485356633 856392100 /nfs/dbraw/zinc/39/21/00/856392100.db2.gz KDKHYSJTUJXVFU-IEIRFRATSA-N 2 1 377.532 3.682 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1Cl ZINC000195442416 856420024 /nfs/dbraw/zinc/42/00/24/856420024.db2.gz KRLFQIIZJWZPDJ-HXUWFJFHSA-N 2 1 385.939 3.636 20 0 GHADMP COc1ccc([C@H]2C[C@@H](N(c3[nH+]cccc3C)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168671141 856434201 /nfs/dbraw/zinc/43/42/01/856434201.db2.gz FGKTZXGQXJFNFT-RBBKRZOGSA-N 2 1 381.520 3.877 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1cccs1 ZINC000573695539 856442633 /nfs/dbraw/zinc/44/26/33/856442633.db2.gz PYFJLLKORYKMAR-JXFKEZNVSA-N 2 1 384.549 3.598 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000105273511 856631477 /nfs/dbraw/zinc/63/14/77/856631477.db2.gz PVNVNLZKXQXVNM-LJQANCHMSA-N 2 1 394.991 3.534 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000181287264 862824049 /nfs/dbraw/zinc/82/40/49/862824049.db2.gz YWSXKXQAZLNEEW-UZLBHIALSA-N 2 1 390.487 3.645 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000465891184 856773949 /nfs/dbraw/zinc/77/39/49/856773949.db2.gz PRZRHWPEXQCQPS-AQNXPRMDSA-N 2 1 378.605 3.544 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000465891184 856773955 /nfs/dbraw/zinc/77/39/55/856773955.db2.gz PRZRHWPEXQCQPS-AQNXPRMDSA-N 2 1 378.605 3.544 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000465891184 856773961 /nfs/dbraw/zinc/77/39/61/856773961.db2.gz PRZRHWPEXQCQPS-AQNXPRMDSA-N 2 1 378.605 3.544 20 0 GHADMP CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1CCN(c2ccccn2)CC1 ZINC000785457876 856828293 /nfs/dbraw/zinc/82/82/93/856828293.db2.gz JJYGWCUHUROBHS-QGZVFWFLSA-N 2 1 376.545 3.533 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508049452 856832180 /nfs/dbraw/zinc/83/21/80/856832180.db2.gz GNDVDLQIWOCBBX-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000508088744 856885510 /nfs/dbraw/zinc/88/55/10/856885510.db2.gz LNIUXEHYJHLMJB-LJQANCHMSA-N 2 1 396.579 3.535 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414080154 857078914 /nfs/dbraw/zinc/07/89/14/857078914.db2.gz CVFIRIVSBXVSRA-GHTZIAJQSA-N 2 1 391.987 3.899 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658230858 857099122 /nfs/dbraw/zinc/09/91/22/857099122.db2.gz ANBPMPYFUPITGA-NLPWIYRPSA-N 2 1 378.564 3.917 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(C(=O)N(C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000921928527 857146940 /nfs/dbraw/zinc/14/69/40/857146940.db2.gz VAGCZBDSXVQRJM-DENIHFKCSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428147696 857152736 /nfs/dbraw/zinc/15/27/36/857152736.db2.gz UAOXQYGVBGJSJO-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000429247277 857199259 /nfs/dbraw/zinc/19/92/59/857199259.db2.gz QWGWKGHWRQNYHJ-MRXNPFEDSA-N 2 1 392.494 3.655 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000429247277 857199264 /nfs/dbraw/zinc/19/92/64/857199264.db2.gz QWGWKGHWRQNYHJ-MRXNPFEDSA-N 2 1 392.494 3.655 20 0 GHADMP C[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NC(=O)OC(C)(C)C ZINC000785477641 857204165 /nfs/dbraw/zinc/20/41/65/857204165.db2.gz JHFBLUADYWFULC-IBGZPJMESA-N 2 1 387.568 3.888 20 0 GHADMP COc1ccc(-c2cc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)on2)cc1 ZINC000665261585 857291572 /nfs/dbraw/zinc/29/15/72/857291572.db2.gz HGEVCFBNZKUBNT-GMAHTHKFSA-N 2 1 391.471 3.696 20 0 GHADMP C[C@](CO)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000477865411 857379699 /nfs/dbraw/zinc/37/96/99/857379699.db2.gz REIFVUVPVNGIMH-XMMPIXPASA-N 2 1 384.539 3.664 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675490715 857458347 /nfs/dbraw/zinc/45/83/47/857458347.db2.gz UIUQXRCEFDYUCW-NRFANRHFSA-N 2 1 395.547 3.888 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000574261345 857477643 /nfs/dbraw/zinc/47/76/43/857477643.db2.gz VHUQNSXBFXDLPO-YTFSRNRJSA-N 2 1 388.515 3.584 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000574261344 857477826 /nfs/dbraw/zinc/47/78/26/857477826.db2.gz VHUQNSXBFXDLPO-VABKMULXSA-N 2 1 388.515 3.584 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060798228 857478228 /nfs/dbraw/zinc/47/82/28/857478228.db2.gz DAOYLTXASPFEKT-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675666663 857554127 /nfs/dbraw/zinc/55/41/27/857554127.db2.gz QZOXJFDNIFISDX-NZQKXSOJSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675666663 857554138 /nfs/dbraw/zinc/55/41/38/857554138.db2.gz QZOXJFDNIFISDX-NZQKXSOJSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675666663 857554150 /nfs/dbraw/zinc/55/41/50/857554150.db2.gz QZOXJFDNIFISDX-NZQKXSOJSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675666663 857554161 /nfs/dbraw/zinc/55/41/61/857554161.db2.gz QZOXJFDNIFISDX-NZQKXSOJSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000675691999 857565781 /nfs/dbraw/zinc/56/57/81/857565781.db2.gz KEAWFJFKDXZEOF-GOSISDBHSA-N 2 1 396.539 3.776 20 0 GHADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000486271137 857608772 /nfs/dbraw/zinc/60/87/72/857608772.db2.gz ZHODAFFVWJMOKW-FQEVSTJZSA-N 2 1 377.960 3.543 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2OCC2CC2)c2cccs2)CC1 ZINC000521332104 857892424 /nfs/dbraw/zinc/89/24/24/857892424.db2.gz ZUMBBCKARYXWKA-FQEVSTJZSA-N 2 1 385.577 3.615 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000594107519 857905174 /nfs/dbraw/zinc/90/51/74/857905174.db2.gz IYNOUAHRGJLLTQ-QRVBRYPASA-N 2 1 392.613 3.522 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3NC3CC3)CC2)CC1 ZINC000521365588 857921047 /nfs/dbraw/zinc/92/10/47/857921047.db2.gz AMBYPANELBMLCS-UHFFFAOYSA-N 2 1 388.531 3.535 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)C1 ZINC000521522103 858088923 /nfs/dbraw/zinc/08/89/23/858088923.db2.gz ULUSHYNLTWNXCF-OFNKIYASSA-N 2 1 398.595 3.688 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000442805278 858131910 /nfs/dbraw/zinc/13/19/10/858131910.db2.gz YAQHAASGJAPJRJ-BRTIRZTQSA-N 2 1 375.516 3.709 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000442805278 858131917 /nfs/dbraw/zinc/13/19/17/858131917.db2.gz YAQHAASGJAPJRJ-BRTIRZTQSA-N 2 1 375.516 3.709 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C12CCC2 ZINC000181737420 862992357 /nfs/dbraw/zinc/99/23/57/862992357.db2.gz CTINMNOJBPPCIZ-RBUKOAKNSA-N 2 1 377.598 3.855 20 0 GHADMP Clc1cccc2c1CCN(CC[NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000442985961 858292587 /nfs/dbraw/zinc/29/25/87/858292587.db2.gz AVCUQZSBSUQHEQ-UHFFFAOYSA-N 2 1 383.967 3.952 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000443064456 858332524 /nfs/dbraw/zinc/33/25/24/858332524.db2.gz YGHPRUCLHAKOEX-VGSWGCGISA-N 2 1 385.939 3.606 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OCc2cccnc2)c1 ZINC000574962930 858475516 /nfs/dbraw/zinc/47/55/16/858475516.db2.gz YBAHPPLLMZYZOT-OAQYLSRUSA-N 2 1 395.547 3.833 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000521955745 858483176 /nfs/dbraw/zinc/48/31/76/858483176.db2.gz WBEPGAXSDVMZPX-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000521955745 858483179 /nfs/dbraw/zinc/48/31/79/858483179.db2.gz WBEPGAXSDVMZPX-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000521955745 858483184 /nfs/dbraw/zinc/48/31/84/858483184.db2.gz WBEPGAXSDVMZPX-NZQKXSOJSA-N 2 1 379.548 3.535 20 0 GHADMP Cc1cccc(NC(=O)[C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000575097834 858585232 /nfs/dbraw/zinc/58/52/32/858585232.db2.gz PPXKWAMECLTOSJ-ILWGZMRPSA-N 2 1 377.532 3.776 20 0 GHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000115828367 858680749 /nfs/dbraw/zinc/68/07/49/858680749.db2.gz YVUVKZONAZFHSX-HXUWFJFHSA-N 2 1 386.584 3.546 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)[C@@H](c2ccccc2)C1 ZINC000474063597 858751770 /nfs/dbraw/zinc/75/17/70/858751770.db2.gz XSBGRVFRRODWQC-OLKYXYMISA-N 2 1 385.596 3.550 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000710930402 858794160 /nfs/dbraw/zinc/79/41/60/858794160.db2.gz VAYDAROIBDZAOE-SEJPIABJSA-N 2 1 385.552 3.639 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000183678768 858794477 /nfs/dbraw/zinc/79/44/77/858794477.db2.gz ZGULUIGDYIEPAO-AWEZNQCLSA-N 2 1 398.536 3.520 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(Cl)cc1 ZINC000499162795 881354208 /nfs/dbraw/zinc/35/42/08/881354208.db2.gz CSAXCRGFMFWFBS-DKUWSORSSA-N 2 1 397.950 3.855 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000646249290 858822170 /nfs/dbraw/zinc/82/21/70/858822170.db2.gz ZPNQDVXPNUDTAZ-WXFUMESZSA-N 2 1 391.559 3.980 20 0 GHADMP COC(=O)Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000596524695 858922430 /nfs/dbraw/zinc/92/24/30/858922430.db2.gz CYFFBZXCEJFOLW-HXUWFJFHSA-N 2 1 379.504 3.511 20 0 GHADMP Cc1[nH+]cc(CN(Cc2ccccc2Br)C2CC[NH+](C)CC2)n1C ZINC000668178096 859020945 /nfs/dbraw/zinc/02/09/45/859020945.db2.gz NHGPMLWYRZWYTP-UHFFFAOYSA-N 2 1 391.357 3.587 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185345991 859072354 /nfs/dbraw/zinc/07/23/54/859072354.db2.gz UHGGTJMWXCUBGU-JRGCBEDISA-N 2 1 389.565 3.511 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659431 859113142 /nfs/dbraw/zinc/11/31/42/859113142.db2.gz AOCPSWOBPVIDIK-HOTGVXAUSA-N 2 1 395.950 3.680 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659431 859113147 /nfs/dbraw/zinc/11/31/47/859113147.db2.gz AOCPSWOBPVIDIK-HOTGVXAUSA-N 2 1 395.950 3.680 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185676349 859116066 /nfs/dbraw/zinc/11/60/66/859116066.db2.gz FPRJZPBGGTWPEI-HARLFGEKSA-N 2 1 382.548 3.822 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(OC(C)C)cc3)C2)ccn1 ZINC000856553112 881385207 /nfs/dbraw/zinc/38/52/07/881385207.db2.gz ACGZTEXSDQCVLA-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)ccn1 ZINC000856553112 881385237 /nfs/dbraw/zinc/38/52/37/881385237.db2.gz ACGZTEXSDQCVLA-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)ccn1 ZINC000856553112 881385267 /nfs/dbraw/zinc/38/52/67/881385267.db2.gz ACGZTEXSDQCVLA-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509348145 859131380 /nfs/dbraw/zinc/13/13/80/859131380.db2.gz KTTWRUHDULMXLL-AOHZBQACSA-N 2 1 384.612 3.536 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc(O[C@H]4CCOC4)cc[nH+]2)C3)cc1 ZINC001170337172 881385976 /nfs/dbraw/zinc/38/59/76/881385976.db2.gz NOBXYMQIWYLQAL-KEZQHZCBSA-N 2 1 379.504 3.857 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)c2)C[C@H](C)O1 ZINC000483168791 859202380 /nfs/dbraw/zinc/20/23/80/859202380.db2.gz OEUDGNAJKVXEBW-SVFBPWRDSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)c2)C[C@H](C)O1 ZINC000483168791 859202389 /nfs/dbraw/zinc/20/23/89/859202389.db2.gz OEUDGNAJKVXEBW-SVFBPWRDSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2)C[C@H](C)O1 ZINC000483168791 859202397 /nfs/dbraw/zinc/20/23/97/859202397.db2.gz OEUDGNAJKVXEBW-SVFBPWRDSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c2)C[C@H](C)O1 ZINC000483168791 859202405 /nfs/dbraw/zinc/20/24/05/859202405.db2.gz OEUDGNAJKVXEBW-SVFBPWRDSA-N 2 1 399.579 3.889 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c[nH]nc3-c3cccs3)C2)ccn1 ZINC000856554766 881395052 /nfs/dbraw/zinc/39/50/52/881395052.db2.gz KBXHUUCQGVBOTP-LJQANCHMSA-N 2 1 397.548 3.638 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)ccn1 ZINC000856554766 881395069 /nfs/dbraw/zinc/39/50/69/881395069.db2.gz KBXHUUCQGVBOTP-LJQANCHMSA-N 2 1 397.548 3.638 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)ccn1 ZINC000856554766 881395091 /nfs/dbraw/zinc/39/50/91/881395091.db2.gz KBXHUUCQGVBOTP-LJQANCHMSA-N 2 1 397.548 3.638 20 0 GHADMP Cc1ncsc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000597026830 859243732 /nfs/dbraw/zinc/24/37/32/859243732.db2.gz QGALGIDLHGDNIN-OAQYLSRUSA-N 2 1 384.593 3.719 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3nccn3-c3ccccc3)CC2)CC1 ZINC000483264600 859256652 /nfs/dbraw/zinc/25/66/52/859256652.db2.gz FXLSYSHALUJXBR-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nccn3-c3ccccc3)CC2)CC1 ZINC000483264600 859256663 /nfs/dbraw/zinc/25/66/63/859256663.db2.gz FXLSYSHALUJXBR-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000483360301 859310644 /nfs/dbraw/zinc/31/06/44/859310644.db2.gz VJOCEVHSQRAMGM-CVEARBPZSA-N 2 1 379.570 3.511 20 0 GHADMP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000483360301 859310651 /nfs/dbraw/zinc/31/06/51/859310651.db2.gz VJOCEVHSQRAMGM-CVEARBPZSA-N 2 1 379.570 3.511 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C[C@H]1c1ccc(F)cc1 ZINC000429418332 859318521 /nfs/dbraw/zinc/31/85/21/859318521.db2.gz NHIYJRJUFONSRK-PRDVQWLOSA-N 2 1 394.534 3.792 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C[C@@H]1c1ccc(F)cc1 ZINC000429418329 859318942 /nfs/dbraw/zinc/31/89/42/859318942.db2.gz NHIYJRJUFONSRK-AZCRNNOYSA-N 2 1 394.534 3.792 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4c(c3)COC4)C2)ccn1 ZINC000856558522 881421218 /nfs/dbraw/zinc/42/12/18/881421218.db2.gz ISDFRGJZKMRUFM-QHCPKHFHSA-N 2 1 381.520 3.605 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)COC4)C2)ccn1 ZINC000856558522 881421313 /nfs/dbraw/zinc/42/13/13/881421313.db2.gz ISDFRGJZKMRUFM-QHCPKHFHSA-N 2 1 381.520 3.605 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)COC4)C2)ccn1 ZINC000856558522 881421428 /nfs/dbraw/zinc/42/14/28/881421428.db2.gz ISDFRGJZKMRUFM-QHCPKHFHSA-N 2 1 381.520 3.605 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCc2ccccc2)Cc2ccc(C)s2)CC1 ZINC000016397178 859522496 /nfs/dbraw/zinc/52/24/96/859522496.db2.gz VEGBHGATSZSQES-UHFFFAOYSA-N 2 1 399.604 3.702 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856560139 881440129 /nfs/dbraw/zinc/44/01/29/881440129.db2.gz KDUPVEKSUBLHGL-QFIPXVFZSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856560139 881440133 /nfs/dbraw/zinc/44/01/33/881440133.db2.gz KDUPVEKSUBLHGL-QFIPXVFZSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856560139 881440138 /nfs/dbraw/zinc/44/01/38/881440138.db2.gz KDUPVEKSUBLHGL-QFIPXVFZSA-N 2 1 396.535 3.534 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483766939 859607271 /nfs/dbraw/zinc/60/72/71/859607271.db2.gz UYWVCQVRQJWMAL-NQIIRXRSSA-N 2 1 384.568 3.528 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(OC)c1 ZINC000856561184 881442567 /nfs/dbraw/zinc/44/25/67/881442567.db2.gz NCDGBEZBKLKNGK-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc(OC)c1 ZINC000856561184 881442568 /nfs/dbraw/zinc/44/25/68/881442568.db2.gz NCDGBEZBKLKNGK-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc(OC)c1 ZINC000856561184 881442572 /nfs/dbraw/zinc/44/25/72/881442572.db2.gz NCDGBEZBKLKNGK-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000543440038 859725493 /nfs/dbraw/zinc/72/54/93/859725493.db2.gz PKQLBXBZHDNBMK-QHCPKHFHSA-N 2 1 397.588 3.832 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000597754671 859786379 /nfs/dbraw/zinc/78/63/79/859786379.db2.gz AQCKSWCVFLUWED-LJQANCHMSA-N 2 1 394.563 3.852 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(CC(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000513543856 859877859 /nfs/dbraw/zinc/87/78/59/859877859.db2.gz AHENVPOPPKXZIO-SJLPKXTDSA-N 2 1 380.458 3.836 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000765266880 859883794 /nfs/dbraw/zinc/88/37/94/859883794.db2.gz JKRWIURBBQFFKF-XMSQKQJNSA-N 2 1 379.504 3.643 20 0 GHADMP Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000568512082 859995369 /nfs/dbraw/zinc/99/53/69/859995369.db2.gz CNVYLXQKLHOLPC-AWEZNQCLSA-N 2 1 392.956 3.771 20 0 GHADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000568512082 859995373 /nfs/dbraw/zinc/99/53/73/859995373.db2.gz CNVYLXQKLHOLPC-AWEZNQCLSA-N 2 1 392.956 3.771 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000598032515 860011864 /nfs/dbraw/zinc/01/18/64/860011864.db2.gz IXTFZHRXSHXYID-AUSIDOKSSA-N 2 1 377.532 3.814 20 0 GHADMP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000765504377 860023259 /nfs/dbraw/zinc/02/32/59/860023259.db2.gz PVEYXUMKXCQCTC-JOCHJYFZSA-N 2 1 397.906 3.752 20 0 GHADMP CSc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000194887597 860034615 /nfs/dbraw/zinc/03/46/15/860034615.db2.gz NGPKWSPVGVWVBY-PXNSSMCTSA-N 2 1 397.588 3.957 20 0 GHADMP COC(=O)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168034571 860036059 /nfs/dbraw/zinc/03/60/59/860036059.db2.gz PTFMCPXMARBFAU-BBIADKPPSA-N 2 1 380.532 3.933 20 0 GHADMP COC(=O)c1[nH]c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1C ZINC000602550584 860127276 /nfs/dbraw/zinc/12/72/76/860127276.db2.gz JRDFSOIWGKHOSS-UHFFFAOYSA-N 2 1 381.476 3.625 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@H](CCC[NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000519399392 860173455 /nfs/dbraw/zinc/17/34/55/860173455.db2.gz LMOLSUHYPQKKSL-SELNLUPBSA-N 2 1 395.547 3.506 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@H](CCC[NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000519399392 860173460 /nfs/dbraw/zinc/17/34/60/860173460.db2.gz LMOLSUHYPQKKSL-SELNLUPBSA-N 2 1 395.547 3.506 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccnn3-c3ccccc3)CC2)nc(C)[nH+]1 ZINC000281466118 860212465 /nfs/dbraw/zinc/21/24/65/860212465.db2.gz FBQHLAHCVBDMFJ-KRWDZBQOSA-N 2 1 376.508 3.599 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000536032823 860266329 /nfs/dbraw/zinc/26/63/29/860266329.db2.gz PZNUDJBSXZDZHM-QFIPXVFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000536032823 860266339 /nfs/dbraw/zinc/26/63/39/860266339.db2.gz PZNUDJBSXZDZHM-QFIPXVFZSA-N 2 1 380.536 3.514 20 0 GHADMP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000519491385 860348102 /nfs/dbraw/zinc/34/81/02/860348102.db2.gz QLFCJPGTECNGRH-JOCHJYFZSA-N 2 1 392.547 3.519 20 0 GHADMP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000519491385 860348113 /nfs/dbraw/zinc/34/81/13/860348113.db2.gz QLFCJPGTECNGRH-JOCHJYFZSA-N 2 1 392.547 3.519 20 0 GHADMP C[C@@H]1CC([NH2+]Cc2cnn(CC(F)(F)F)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168037157 860378132 /nfs/dbraw/zinc/37/81/32/860378132.db2.gz WUOGTKDTVKQCSM-HZPDHXFCSA-N 2 1 380.458 3.977 20 0 GHADMP Cn1c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccc(Cl)cc21 ZINC000904474129 860466883 /nfs/dbraw/zinc/46/68/83/860466883.db2.gz JLJSYSWSCPVILP-UWJYYQICSA-N 2 1 382.895 3.572 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000484934592 860517625 /nfs/dbraw/zinc/51/76/25/860517625.db2.gz ICJMJKKEXKBNGR-HXUWFJFHSA-N 2 1 389.609 3.547 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000484934592 860517630 /nfs/dbraw/zinc/51/76/30/860517630.db2.gz ICJMJKKEXKBNGR-HXUWFJFHSA-N 2 1 389.609 3.547 20 0 GHADMP C[C@H]1CC([NH+]2CCN(c3ccc(O)cc3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168040671 860633058 /nfs/dbraw/zinc/63/30/58/860633058.db2.gz OAAZFYKOQMLSEQ-PMACEKPBSA-N 2 1 379.548 3.956 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOC3CCCCCC3)C2)ccn1 ZINC000856590867 881563217 /nfs/dbraw/zinc/56/32/17/881563217.db2.gz CWDAGTPGCOAORI-JOCHJYFZSA-N 2 1 375.557 3.726 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOC3CCCCCC3)C2)ccn1 ZINC000856590867 881563229 /nfs/dbraw/zinc/56/32/29/881563229.db2.gz CWDAGTPGCOAORI-JOCHJYFZSA-N 2 1 375.557 3.726 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOC3CCCCCC3)C2)ccn1 ZINC000856590867 881563244 /nfs/dbraw/zinc/56/32/44/881563244.db2.gz CWDAGTPGCOAORI-JOCHJYFZSA-N 2 1 375.557 3.726 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000429008275 860671817 /nfs/dbraw/zinc/67/18/17/860671817.db2.gz XLXJGIJDLSMQCZ-GIVPXCGWSA-N 2 1 388.600 3.705 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1C ZINC000598957435 860689359 /nfs/dbraw/zinc/68/93/59/860689359.db2.gz SUAYNSPSTXIMND-UHFFFAOYSA-N 2 1 384.455 3.731 20 0 GHADMP Cc1cccc2nc(C[NH+]3CC[C@H](Oc4ccnc(C[N@@H+](C)C(C)C)c4)C3)cn21 ZINC000856599146 881571758 /nfs/dbraw/zinc/57/17/58/881571758.db2.gz MXQMCRAQWFLZRP-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2nc(C[NH+]3CC[C@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)cn21 ZINC000856599146 881571763 /nfs/dbraw/zinc/57/17/63/881571763.db2.gz MXQMCRAQWFLZRP-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2nc(C[N@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cn21 ZINC000856599146 881571773 /nfs/dbraw/zinc/57/17/73/881571773.db2.gz MXQMCRAQWFLZRP-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2nc(C[N@@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cn21 ZINC000856599146 881571779 /nfs/dbraw/zinc/57/17/79/881571779.db2.gz MXQMCRAQWFLZRP-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600307 881575224 /nfs/dbraw/zinc/57/52/24/881575224.db2.gz SSOIATCAGUYNAX-QHCPKHFHSA-N 2 1 382.552 3.511 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600307 881575231 /nfs/dbraw/zinc/57/52/31/881575231.db2.gz SSOIATCAGUYNAX-QHCPKHFHSA-N 2 1 382.552 3.511 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600307 881575233 /nfs/dbraw/zinc/57/52/33/881575233.db2.gz SSOIATCAGUYNAX-QHCPKHFHSA-N 2 1 382.552 3.511 20 0 GHADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)[C@@H]1C ZINC000474821878 860816096 /nfs/dbraw/zinc/81/60/96/860816096.db2.gz MZQNACUOLFSUIC-KGVIQGDOSA-N 2 1 384.520 3.979 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000474821557 860816266 /nfs/dbraw/zinc/81/62/66/860816266.db2.gz LTQVPOUJKMYAOY-OMXLDXBASA-N 2 1 382.548 3.660 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000474821557 860816270 /nfs/dbraw/zinc/81/62/70/860816270.db2.gz LTQVPOUJKMYAOY-OMXLDXBASA-N 2 1 382.548 3.660 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604579 881583201 /nfs/dbraw/zinc/58/32/01/881583201.db2.gz PCODBWIDPZNMPK-VEDCXYSMSA-N 2 1 375.557 3.721 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604579 881583216 /nfs/dbraw/zinc/58/32/16/881583216.db2.gz PCODBWIDPZNMPK-VEDCXYSMSA-N 2 1 375.557 3.721 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604579 881583226 /nfs/dbraw/zinc/58/32/26/881583226.db2.gz PCODBWIDPZNMPK-VEDCXYSMSA-N 2 1 375.557 3.721 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOCc3ccccc3)C2)ccn1 ZINC000856607073 881584706 /nfs/dbraw/zinc/58/47/06/881584706.db2.gz VAKOUYRIQMJQPG-HSZRJFAPSA-N 2 1 383.536 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOCc3ccccc3)C2)ccn1 ZINC000856607073 881584724 /nfs/dbraw/zinc/58/47/24/881584724.db2.gz VAKOUYRIQMJQPG-HSZRJFAPSA-N 2 1 383.536 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOCc3ccccc3)C2)ccn1 ZINC000856607073 881584739 /nfs/dbraw/zinc/58/47/39/881584739.db2.gz VAKOUYRIQMJQPG-HSZRJFAPSA-N 2 1 383.536 3.592 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000157079527 860931160 /nfs/dbraw/zinc/93/11/60/860931160.db2.gz IFAYCRSUXMKGKZ-SJLPKXTDSA-N 2 1 389.506 3.516 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000157079527 860931171 /nfs/dbraw/zinc/93/11/71/860931171.db2.gz IFAYCRSUXMKGKZ-SJLPKXTDSA-N 2 1 389.506 3.516 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000600174891 861171548 /nfs/dbraw/zinc/17/15/48/861171548.db2.gz QSQYFZOEYCQXEN-HXUWFJFHSA-N 2 1 393.531 3.650 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000600174891 861171552 /nfs/dbraw/zinc/17/15/52/861171552.db2.gz QSQYFZOEYCQXEN-HXUWFJFHSA-N 2 1 393.531 3.650 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445693 863132074 /nfs/dbraw/zinc/13/20/74/863132074.db2.gz BHDUFGPLMIEHSW-GGAORHGYSA-N 2 1 393.575 3.738 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000182737868 863341765 /nfs/dbraw/zinc/34/17/65/863341765.db2.gz LTWRUKUQIZQAFF-SFHVURJKSA-N 2 1 377.577 3.625 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc1 ZINC000120643828 881650322 /nfs/dbraw/zinc/65/03/22/881650322.db2.gz KWJGUGQOASUEMW-CYFREDJKSA-N 2 1 390.531 3.905 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000606688349 863779883 /nfs/dbraw/zinc/77/98/83/863779883.db2.gz NZBBDFTXRDMKEK-LJQANCHMSA-N 2 1 386.584 3.776 20 0 GHADMP COc1cccc([C@H](CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[NH+](C)C)c1 ZINC000856728106 881695958 /nfs/dbraw/zinc/69/59/58/881695958.db2.gz JQDITFSCOBCYSH-GMAHTHKFSA-N 2 1 395.547 3.537 20 0 GHADMP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000733996131 863910523 /nfs/dbraw/zinc/91/05/23/863910523.db2.gz OTIWORQXVOOECU-UHFFFAOYSA-N 2 1 385.474 3.516 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000733996131 863910534 /nfs/dbraw/zinc/91/05/34/863910534.db2.gz OTIWORQXVOOECU-UHFFFAOYSA-N 2 1 385.474 3.516 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000606898161 863922771 /nfs/dbraw/zinc/92/27/71/863922771.db2.gz WZJYQMGQNJNOCT-FQEVSTJZSA-N 2 1 377.960 3.889 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143065 863933335 /nfs/dbraw/zinc/93/33/35/863933335.db2.gz GZEDMAALZZMMDC-LJQANCHMSA-N 2 1 397.567 3.635 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143065 863933353 /nfs/dbraw/zinc/93/33/53/863933353.db2.gz GZEDMAALZZMMDC-LJQANCHMSA-N 2 1 397.567 3.635 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000532298543 881713206 /nfs/dbraw/zinc/71/32/06/881713206.db2.gz ICQLWDYUQBPXMW-RHSMWYFYSA-N 2 1 377.579 3.684 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)c1cccs1 ZINC000158902139 863984779 /nfs/dbraw/zinc/98/47/79/863984779.db2.gz YEUFCSLJGNZZIN-MSOLQXFVSA-N 2 1 377.598 3.902 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1cccs1 ZINC000158902139 863984794 /nfs/dbraw/zinc/98/47/94/863984794.db2.gz YEUFCSLJGNZZIN-MSOLQXFVSA-N 2 1 377.598 3.902 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CCC[NH+](CC)C1)c1ccc(Cl)cc1 ZINC000554249788 863998963 /nfs/dbraw/zinc/99/89/63/863998963.db2.gz LIEZNPJGKSWWIP-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000554249788 863998981 /nfs/dbraw/zinc/99/89/81/863998981.db2.gz LIEZNPJGKSWWIP-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000554249788 863999000 /nfs/dbraw/zinc/99/90/00/863999000.db2.gz LIEZNPJGKSWWIP-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000103511562 864045770 /nfs/dbraw/zinc/04/57/70/864045770.db2.gz MHONHNLJMYTAPJ-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](CCc3ccncc3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056001 864061059 /nfs/dbraw/zinc/06/10/59/864061059.db2.gz ZTMBSMNTDLWZKP-BRTYFSMRSA-N 2 1 392.591 3.683 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898518674 864078629 /nfs/dbraw/zinc/07/86/29/864078629.db2.gz JCGDYKWNPHCQSE-CXQPBAHBSA-N 2 1 382.470 3.987 20 0 GHADMP Cc1cccc(N2CCC(NC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)[nH+]1 ZINC000455939858 864085354 /nfs/dbraw/zinc/08/53/54/864085354.db2.gz TWSBKFFHVOXURI-OAQYLSRUSA-N 2 1 393.535 3.729 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000469870354 864146437 /nfs/dbraw/zinc/14/64/37/864146437.db2.gz CFCAJBWZYMYFDX-ZOCIIQOWSA-N 2 1 389.341 3.502 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475119984 864223870 /nfs/dbraw/zinc/22/38/70/864223870.db2.gz DYEVEUTVJHUXST-QHCPKHFHSA-N 2 1 398.595 3.747 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475133770 864269334 /nfs/dbraw/zinc/26/93/34/864269334.db2.gz AWMDOFFNBXOGLA-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475133770 864269350 /nfs/dbraw/zinc/26/93/50/864269350.db2.gz AWMDOFFNBXOGLA-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475133770 864269364 /nfs/dbraw/zinc/26/93/64/864269364.db2.gz AWMDOFFNBXOGLA-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C(=O)NCCC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475135596 864272658 /nfs/dbraw/zinc/27/26/58/864272658.db2.gz GFPJPYLHQMXXQJ-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475135596 864272664 /nfs/dbraw/zinc/27/26/64/864272664.db2.gz GFPJPYLHQMXXQJ-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475135596 864272674 /nfs/dbraw/zinc/27/26/74/864272674.db2.gz GFPJPYLHQMXXQJ-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000621641322 864345868 /nfs/dbraw/zinc/34/58/68/864345868.db2.gz HAVASMUQNAMNCX-NRFANRHFSA-N 2 1 391.559 3.700 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1)c1ccccc1 ZINC000475156730 864365232 /nfs/dbraw/zinc/36/52/32/864365232.db2.gz MNIOZQUHZKTYMX-OALUTQOASA-N 2 1 393.453 3.689 20 0 GHADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)ccn1 ZINC000480272227 864380956 /nfs/dbraw/zinc/38/09/56/864380956.db2.gz BNTGYEJWGRKATE-UHFFFAOYSA-N 2 1 387.430 3.850 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168057480 864405369 /nfs/dbraw/zinc/40/53/69/864405369.db2.gz NJQWIRJWDONUAP-JBYIUTFZSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168057480 864405374 /nfs/dbraw/zinc/40/53/74/864405374.db2.gz NJQWIRJWDONUAP-JBYIUTFZSA-N 2 1 380.536 3.680 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000480277632 864407693 /nfs/dbraw/zinc/40/76/93/864407693.db2.gz KZEPRWQHUOOKKM-PGRDOPGGSA-N 2 1 387.568 3.652 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@@H](C)C1 ZINC000480277632 864407698 /nfs/dbraw/zinc/40/76/98/864407698.db2.gz KZEPRWQHUOOKKM-PGRDOPGGSA-N 2 1 387.568 3.652 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCOc3ccc(C)cc32)c1 ZINC000163636594 864545189 /nfs/dbraw/zinc/54/51/89/864545189.db2.gz ZAGUEVQQJJEXAE-QHCPKHFHSA-N 2 1 398.547 3.956 20 0 GHADMP CCC(CC)(CNC(=O)NCc1c[nH+]c2n1CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000554562449 864553517 /nfs/dbraw/zinc/55/35/17/864553517.db2.gz BLMRMGXGSYPAGW-SFHVURJKSA-N 2 1 397.567 3.928 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000164232064 864600911 /nfs/dbraw/zinc/60/09/11/864600911.db2.gz GORAWTUBFVTQEG-INIZCTEOSA-N 2 1 379.570 3.506 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(OC)c1OC ZINC000165305859 864661991 /nfs/dbraw/zinc/66/19/91/864661991.db2.gz CCEDLMBVIZCGOB-AZUAARDMSA-N 2 1 398.547 3.928 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC[N@H+]1C ZINC000165461073 864674376 /nfs/dbraw/zinc/67/43/76/864674376.db2.gz MKXDXKJCBIWNSY-UXPWSPDFSA-N 2 1 379.976 3.564 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000165995082 864707071 /nfs/dbraw/zinc/70/70/71/864707071.db2.gz LWFJHNLWEMKSGU-DEOSSOPVSA-N 2 1 381.564 3.955 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000165995082 864707074 /nfs/dbraw/zinc/70/70/74/864707074.db2.gz LWFJHNLWEMKSGU-DEOSSOPVSA-N 2 1 381.564 3.955 20 0 GHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1ccco1 ZINC000622047717 864731132 /nfs/dbraw/zinc/73/11/32/864731132.db2.gz ZIOZKOAPBSJXIR-VFNWGFHPSA-N 2 1 394.519 3.608 20 0 GHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1ccco1 ZINC000622047717 864731139 /nfs/dbraw/zinc/73/11/39/864731139.db2.gz ZIOZKOAPBSJXIR-VFNWGFHPSA-N 2 1 394.519 3.608 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C)c1ccccc1 ZINC000554707136 864753774 /nfs/dbraw/zinc/75/37/74/864753774.db2.gz FCEURGSXDYBRPN-RTWAWAEBSA-N 2 1 385.577 3.820 20 0 GHADMP C[C@@H](CC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313130 864767856 /nfs/dbraw/zinc/76/78/56/864767856.db2.gz OVLXMIOWNUZJSC-URXFXBBRSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313130 864767867 /nfs/dbraw/zinc/76/78/67/864767867.db2.gz OVLXMIOWNUZJSC-URXFXBBRSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313130 864767882 /nfs/dbraw/zinc/76/78/82/864767882.db2.gz OVLXMIOWNUZJSC-URXFXBBRSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313130 864767887 /nfs/dbraw/zinc/76/78/87/864767887.db2.gz OVLXMIOWNUZJSC-URXFXBBRSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313130 864767898 /nfs/dbraw/zinc/76/78/98/864767898.db2.gz OVLXMIOWNUZJSC-URXFXBBRSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313332 864768132 /nfs/dbraw/zinc/76/81/32/864768132.db2.gz OVLXMIOWNUZJSC-XUZZJYLKSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313332 864768137 /nfs/dbraw/zinc/76/81/37/864768137.db2.gz OVLXMIOWNUZJSC-XUZZJYLKSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313332 864768144 /nfs/dbraw/zinc/76/81/44/864768144.db2.gz OVLXMIOWNUZJSC-XUZZJYLKSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313332 864768148 /nfs/dbraw/zinc/76/81/48/864768148.db2.gz OVLXMIOWNUZJSC-XUZZJYLKSA-N 2 1 382.548 3.551 20 0 GHADMP C[C@@H](CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCc1ccccc1 ZINC000475313332 864768155 /nfs/dbraw/zinc/76/81/55/864768155.db2.gz OVLXMIOWNUZJSC-XUZZJYLKSA-N 2 1 382.548 3.551 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC000622179763 864820901 /nfs/dbraw/zinc/82/09/01/864820901.db2.gz MLWLVETZSISAHO-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000622179763 864820916 /nfs/dbraw/zinc/82/09/16/864820916.db2.gz MLWLVETZSISAHO-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000622179763 864820930 /nfs/dbraw/zinc/82/09/30/864820930.db2.gz MLWLVETZSISAHO-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP CCN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475365912 864873009 /nfs/dbraw/zinc/87/30/09/864873009.db2.gz CKLXQGQUTXMMEV-DNJQPREOSA-N 2 1 398.595 3.870 20 0 GHADMP CC[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000480614170 864951364 /nfs/dbraw/zinc/95/13/64/864951364.db2.gz SNDYOEFINUDHQJ-ZVDOUQERSA-N 2 1 389.584 3.562 20 0 GHADMP CC[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000480614170 864951374 /nfs/dbraw/zinc/95/13/74/864951374.db2.gz SNDYOEFINUDHQJ-ZVDOUQERSA-N 2 1 389.584 3.562 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000608117209 864996821 /nfs/dbraw/zinc/99/68/21/864996821.db2.gz VLLYJVXTBFNNAP-UHFFFAOYSA-N 2 1 378.520 3.746 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC(F)F ZINC000192920175 865074083 /nfs/dbraw/zinc/07/40/83/865074083.db2.gz KWCYNFDRBDVYMM-GOSISDBHSA-N 2 1 376.447 3.908 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1O ZINC000554864427 865082400 /nfs/dbraw/zinc/08/24/00/865082400.db2.gz VWGKFROQKSIDSP-OAQYLSRUSA-N 2 1 384.520 3.800 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc(OC)c1O ZINC000554864427 865082406 /nfs/dbraw/zinc/08/24/06/865082406.db2.gz VWGKFROQKSIDSP-OAQYLSRUSA-N 2 1 384.520 3.800 20 0 GHADMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000184963365 865090274 /nfs/dbraw/zinc/09/02/74/865090274.db2.gz GWNPUVKHMSKPDV-JOCHJYFZSA-N 2 1 390.930 3.983 20 0 GHADMP C[C@]1(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCC[N@H+]1Cc1ccccc1 ZINC000667737977 865164912 /nfs/dbraw/zinc/16/49/12/865164912.db2.gz UJSIAOGOMFFQFF-HSZRJFAPSA-N 2 1 378.520 3.509 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000480737226 865170903 /nfs/dbraw/zinc/17/09/03/865170903.db2.gz CGLDDKLIGPUVEK-FQEVSTJZSA-N 2 1 381.564 3.992 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000554962109 865222334 /nfs/dbraw/zinc/22/23/34/865222334.db2.gz ZRFYSZCQAOBOHH-JVODISISSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962109 865222350 /nfs/dbraw/zinc/22/23/50/865222350.db2.gz ZRFYSZCQAOBOHH-JVODISISSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962109 865222365 /nfs/dbraw/zinc/22/23/65/865222365.db2.gz ZRFYSZCQAOBOHH-JVODISISSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962109 865222377 /nfs/dbraw/zinc/22/23/77/865222377.db2.gz ZRFYSZCQAOBOHH-JVODISISSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000554962109 865222394 /nfs/dbraw/zinc/22/23/94/865222394.db2.gz ZRFYSZCQAOBOHH-JVODISISSA-N 2 1 391.559 3.706 20 0 GHADMP COc1cccc2c1CC[C@@H]2[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000480781042 865254865 /nfs/dbraw/zinc/25/48/65/865254865.db2.gz QFPRUQRSBXSFDT-XZOQPEGZSA-N 2 1 379.548 3.651 20 0 GHADMP COc1cc(NC(=O)CC[NH2+]CC2([NH+](C)C)CCCCC2)c(OC)cc1Cl ZINC000608341138 865272522 /nfs/dbraw/zinc/27/25/22/865272522.db2.gz JNJYLRQQMLKCSY-UHFFFAOYSA-N 2 1 397.947 3.540 20 0 GHADMP CC(C)[C@H](CNc1cc[nH+]c2cc(Br)ccc12)[NH+]1CCN(C)CC1 ZINC000301381063 865325132 /nfs/dbraw/zinc/32/51/32/865325132.db2.gz ULQVJZICWKASHU-IBGZPJMESA-N 2 1 391.357 3.681 20 0 GHADMP Cc1[nH+]c2ccc(Br)cc2c(N[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000301399083 865336406 /nfs/dbraw/zinc/33/64/06/865336406.db2.gz OTQQHJFVNWDOBF-CYBMUJFWSA-N 2 1 391.357 3.662 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000608620108 865538186 /nfs/dbraw/zinc/53/81/86/865538186.db2.gz NNZDTWNDYWSSMA-MBOZVWFJSA-N 2 1 392.975 3.601 20 0 GHADMP C[N@@H+](CCOCC(F)(F)C(F)(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482668 881881892 /nfs/dbraw/zinc/88/18/92/881881892.db2.gz DLUSYBODBRTLQA-INIZCTEOSA-N 2 1 380.401 3.655 20 0 GHADMP C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189482668 881881914 /nfs/dbraw/zinc/88/19/14/881881914.db2.gz DLUSYBODBRTLQA-INIZCTEOSA-N 2 1 380.401 3.655 20 0 GHADMP C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189482668 881881936 /nfs/dbraw/zinc/88/19/36/881881936.db2.gz DLUSYBODBRTLQA-INIZCTEOSA-N 2 1 380.401 3.655 20 0 GHADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1 ZINC000480947720 865551248 /nfs/dbraw/zinc/55/12/48/865551248.db2.gz AEMVOBPCMGCOKF-UHFFFAOYSA-N 2 1 392.547 3.593 20 0 GHADMP Brc1ccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000301876270 865582092 /nfs/dbraw/zinc/58/20/92/865582092.db2.gz NARUIPMVHPZVHN-OAHLLOKOSA-N 2 1 376.298 3.663 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481181903 865944280 /nfs/dbraw/zinc/94/42/80/865944280.db2.gz OIPIHSWTBRWUAT-HFMPRLQTSA-N 2 1 393.575 3.542 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481181903 865944284 /nfs/dbraw/zinc/94/42/84/865944284.db2.gz OIPIHSWTBRWUAT-HFMPRLQTSA-N 2 1 393.575 3.542 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C2CC2)o1 ZINC000481172314 865957103 /nfs/dbraw/zinc/95/71/03/865957103.db2.gz GKZDDOJGSPCKDC-JPYJTQIMSA-N 2 1 395.547 3.579 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C2CC2)o1 ZINC000481172314 865957114 /nfs/dbraw/zinc/95/71/14/865957114.db2.gz GKZDDOJGSPCKDC-JPYJTQIMSA-N 2 1 395.547 3.579 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481174463 865962331 /nfs/dbraw/zinc/96/23/31/865962331.db2.gz KYEGWIBPWMZLSB-FJIJXJHWSA-N 2 1 382.548 3.543 20 0 GHADMP COc1cccc(COc2cccc(Cl)c2C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000623086869 866005070 /nfs/dbraw/zinc/00/50/70/866005070.db2.gz OIQAFVIRJKQVTC-UHFFFAOYSA-N 2 1 385.895 3.993 20 0 GHADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014409 866037464 /nfs/dbraw/zinc/03/74/64/866037464.db2.gz VAPFSSKGFPXAJY-FGZHOGPDSA-N 2 1 399.623 3.958 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000175838545 866042207 /nfs/dbraw/zinc/04/22/07/866042207.db2.gz DMFHCSDZUOYFQL-UTKZUKDTSA-N 2 1 381.524 3.512 20 0 GHADMP COC(=O)COc1c(C)cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000183101770 866204460 /nfs/dbraw/zinc/20/44/60/866204460.db2.gz TWEVJSWQBKVSPL-AZUAARDMSA-N 2 1 388.552 3.598 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000534270180 866447132 /nfs/dbraw/zinc/44/71/32/866447132.db2.gz UGYZTIJHFALCTQ-LJQANCHMSA-N 2 1 381.923 3.637 20 0 GHADMP C[C@@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000857070099 881983779 /nfs/dbraw/zinc/98/37/79/881983779.db2.gz DDJWKGCPWKLRBQ-NLWGTHIKSA-N 2 1 375.557 3.790 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC000444588780 866908690 /nfs/dbraw/zinc/90/86/90/866908690.db2.gz GBSVEDSNSQUKQV-UHFFFAOYSA-N 2 1 399.535 3.581 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC000444588780 866908697 /nfs/dbraw/zinc/90/86/97/866908697.db2.gz GBSVEDSNSQUKQV-UHFFFAOYSA-N 2 1 399.535 3.581 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000444582913 866927391 /nfs/dbraw/zinc/92/73/91/866927391.db2.gz LFXKTLLRWLKQFR-UTKZUKDTSA-N 2 1 383.540 3.661 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000153904056 867146689 /nfs/dbraw/zinc/14/66/89/867146689.db2.gz JHBBNOSVDDLGMT-KDURUIRLSA-N 2 1 379.976 3.599 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000153904056 867146705 /nfs/dbraw/zinc/14/67/05/867146705.db2.gz JHBBNOSVDDLGMT-KDURUIRLSA-N 2 1 379.976 3.599 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479272621 867495913 /nfs/dbraw/zinc/49/59/13/867495913.db2.gz DHDZSWKNDFHRTK-WCQYABFASA-N 2 1 395.263 3.575 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)cc1 ZINC000183742030 867629332 /nfs/dbraw/zinc/62/93/32/867629332.db2.gz TYISOZXENDBKHM-MRXNPFEDSA-N 2 1 376.460 3.988 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457085738 867636671 /nfs/dbraw/zinc/63/66/71/867636671.db2.gz MZLLHZRLLRYWHO-GOSISDBHSA-N 2 1 385.474 3.555 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000154953968 867679335 /nfs/dbraw/zinc/67/93/35/867679335.db2.gz LADSSWIEESCITD-QHCPKHFHSA-N 2 1 395.547 3.758 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000154953968 867679347 /nfs/dbraw/zinc/67/93/47/867679347.db2.gz LADSSWIEESCITD-QHCPKHFHSA-N 2 1 395.547 3.758 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000429540179 882123526 /nfs/dbraw/zinc/12/35/26/882123526.db2.gz WJNLJROGCVIZDJ-FQEVSTJZSA-N 2 1 393.531 3.662 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000429540179 882123532 /nfs/dbraw/zinc/12/35/32/882123532.db2.gz WJNLJROGCVIZDJ-FQEVSTJZSA-N 2 1 393.531 3.662 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000190207929 882118838 /nfs/dbraw/zinc/11/88/38/882118838.db2.gz QHDRHJWWJAGNTI-GOSISDBHSA-N 2 1 383.540 3.759 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)c(F)c1 ZINC000534964149 867881413 /nfs/dbraw/zinc/88/14/13/867881413.db2.gz UMBGHBPBRBPENL-UHFFFAOYSA-N 2 1 399.485 3.891 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc(F)c(F)c1 ZINC000534964149 867881424 /nfs/dbraw/zinc/88/14/24/867881424.db2.gz UMBGHBPBRBPENL-UHFFFAOYSA-N 2 1 399.485 3.891 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000523812657 868032443 /nfs/dbraw/zinc/03/24/43/868032443.db2.gz UJUCHRQQPMCJJQ-PXNSSMCTSA-N 2 1 392.975 3.506 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000523851281 868094752 /nfs/dbraw/zinc/09/47/52/868094752.db2.gz NEILLSQLZYVBEF-XXBNENTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000523851281 868094797 /nfs/dbraw/zinc/09/47/97/868094797.db2.gz NEILLSQLZYVBEF-XXBNENTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000479581587 868125857 /nfs/dbraw/zinc/12/58/57/868125857.db2.gz JORHSNDIFRMRAX-YLJYHZDGSA-N 2 1 386.584 3.682 20 0 GHADMP Cc1oc2ccccc2c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000155899248 868173739 /nfs/dbraw/zinc/17/37/39/868173739.db2.gz XNROYFZWHDTFKN-HXUWFJFHSA-N 2 1 391.515 3.728 20 0 GHADMP Cc1cc(NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)ccc1OCC[NH+](C)C ZINC000857288894 882174366 /nfs/dbraw/zinc/17/43/66/882174366.db2.gz UOZAWRJMIQJVSZ-OAQYLSRUSA-N 2 1 395.547 3.997 20 0 GHADMP CCOc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156951473 868512128 /nfs/dbraw/zinc/51/21/28/868512128.db2.gz QWVTXSVDDPDGNA-NQIIRXRSSA-N 2 1 395.547 3.633 20 0 GHADMP COCC[N@@H+](CCc1ccccc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000508530681 868520712 /nfs/dbraw/zinc/52/07/12/868520712.db2.gz YRLOJCPTKWHCFX-UHFFFAOYSA-N 2 1 395.591 3.908 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2)C[C@@H](C)O1 ZINC000157140946 868570295 /nfs/dbraw/zinc/57/02/95/868570295.db2.gz OOOYHDLWKMFNKT-RTBURBONSA-N 2 1 386.584 3.582 20 0 GHADMP CN(C(=O)c1cnc2ccccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457655674 868583400 /nfs/dbraw/zinc/58/34/00/868583400.db2.gz BSNHLTGFLDAAFL-XZOQPEGZSA-N 2 1 394.563 3.644 20 0 GHADMP CN(C(=O)c1cnc2ccccc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457655653 868583650 /nfs/dbraw/zinc/58/36/50/868583650.db2.gz BSNHLTGFLDAAFL-GOTSBHOMSA-N 2 1 394.563 3.644 20 0 GHADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000524230736 868732685 /nfs/dbraw/zinc/73/26/85/868732685.db2.gz MXKBVYOMFSAPBD-MRXNPFEDSA-N 2 1 381.911 3.906 20 0 GHADMP Cc1ccc(C[C@H](C)[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000524594886 869322455 /nfs/dbraw/zinc/32/24/55/869322455.db2.gz ZIZKEZXJPFRQQJ-NRFANRHFSA-N 2 1 393.575 3.770 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000793599153 882302061 /nfs/dbraw/zinc/30/20/61/882302061.db2.gz GIWDFTYMGQWPGU-KRWDZBQOSA-N 2 1 393.547 3.726 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3C[C@@H]4CCC(C)(C)c5cccc3c54)cn2)CC1 ZINC000539588143 869412024 /nfs/dbraw/zinc/41/20/24/869412024.db2.gz GJHCJMKRDKPBJP-RXVVDRJESA-N 2 1 391.563 3.618 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000793606643 882318682 /nfs/dbraw/zinc/31/86/82/882318682.db2.gz WCMCAKZLZMETEU-GOSISDBHSA-N 2 1 375.557 3.586 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[nH+]c1 ZINC000122031703 882346388 /nfs/dbraw/zinc/34/63/88/882346388.db2.gz LSBMHCKBTCFQSB-UHFFFAOYSA-N 2 1 387.572 3.534 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000539851623 869900213 /nfs/dbraw/zinc/90/02/13/869900213.db2.gz WPKTXYSIGXYJRL-OAQYLSRUSA-N 2 1 388.531 3.561 20 0 GHADMP O=C(C[N@@H+](CCc1ccccc1)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000746118957 870059970 /nfs/dbraw/zinc/05/99/70/870059970.db2.gz LJHGVXFODDLOBZ-UHFFFAOYSA-N 2 1 391.559 3.606 20 0 GHADMP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000462773911 870072051 /nfs/dbraw/zinc/07/20/51/870072051.db2.gz BQSBXNZRKOLLFZ-PXNSSMCTSA-N 2 1 383.536 3.510 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(F)ccc3OC)CC2)cs1 ZINC000462792170 870090025 /nfs/dbraw/zinc/09/00/25/870090025.db2.gz PRNOHLYSCJLGEQ-UHFFFAOYSA-N 2 1 377.529 3.855 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1csc(-c2ccccc2F)n1 ZINC000462808217 870133603 /nfs/dbraw/zinc/13/36/03/870133603.db2.gz OGKZPLOUUPGOCO-JKSUJKDBSA-N 2 1 377.529 3.837 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000248007754 870259967 /nfs/dbraw/zinc/25/99/67/870259967.db2.gz KXURVIULCHTDFN-AUSIDOKSSA-N 2 1 379.548 3.852 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000540044570 870295069 /nfs/dbraw/zinc/29/50/69/870295069.db2.gz VLKLBOFAUJCZTP-UHFFFAOYSA-N 2 1 380.536 3.875 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1)CC1CC1 ZINC000540046962 870301765 /nfs/dbraw/zinc/30/17/65/870301765.db2.gz JELMNQBWNIZNJX-QFIPXVFZSA-N 2 1 387.543 3.765 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1)CC1CC1 ZINC000540046962 870301772 /nfs/dbraw/zinc/30/17/72/870301772.db2.gz JELMNQBWNIZNJX-QFIPXVFZSA-N 2 1 387.543 3.765 20 0 GHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000446761159 870351897 /nfs/dbraw/zinc/35/18/97/870351897.db2.gz XKNMLKAJVNCWBD-DEOSSOPVSA-N 2 1 382.548 3.850 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000248393076 870364408 /nfs/dbraw/zinc/36/44/08/870364408.db2.gz GEODHGKCLBBAIM-CMCWBKRRSA-N 2 1 379.548 3.610 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000248393076 870364432 /nfs/dbraw/zinc/36/44/32/870364432.db2.gz GEODHGKCLBBAIM-CMCWBKRRSA-N 2 1 379.548 3.610 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000248403320 870375070 /nfs/dbraw/zinc/37/50/70/870375070.db2.gz OMAMSWFGOAGPOQ-WSTZPKSXSA-N 2 1 390.572 3.615 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1nc2c(s1)CCCC2 ZINC000248436364 870416429 /nfs/dbraw/zinc/41/64/29/870416429.db2.gz GGFINSIOUQBXPA-APWZRJJASA-N 2 1 385.577 3.829 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1nc2c(s1)CCCC2 ZINC000248436364 870416446 /nfs/dbraw/zinc/41/64/46/870416446.db2.gz GGFINSIOUQBXPA-APWZRJJASA-N 2 1 385.577 3.829 20 0 GHADMP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000248457934 870435425 /nfs/dbraw/zinc/43/54/25/870435425.db2.gz UIBOZFDHIFRWMY-NQIIRXRSSA-N 2 1 398.547 3.820 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248594352 870522689 /nfs/dbraw/zinc/52/26/89/870522689.db2.gz SHLRWVJAVRUWAQ-NOXFTYBFSA-N 2 1 383.580 3.765 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248594352 870522697 /nfs/dbraw/zinc/52/26/97/870522697.db2.gz SHLRWVJAVRUWAQ-NOXFTYBFSA-N 2 1 383.580 3.765 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248606528 870529093 /nfs/dbraw/zinc/52/90/93/870529093.db2.gz JZGSGUJXJSFISW-RTBURBONSA-N 2 1 398.954 3.596 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248606528 870529106 /nfs/dbraw/zinc/52/91/06/870529106.db2.gz JZGSGUJXJSFISW-RTBURBONSA-N 2 1 398.954 3.596 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248613590 870538758 /nfs/dbraw/zinc/53/87/58/870538758.db2.gz YGYJYDLZJNPFFG-LNLFQRSKSA-N 2 1 375.532 3.588 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248613590 870538973 /nfs/dbraw/zinc/53/89/73/870538973.db2.gz YGYJYDLZJNPFFG-LNLFQRSKSA-N 2 1 375.532 3.588 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000538750578 870562033 /nfs/dbraw/zinc/56/20/33/870562033.db2.gz KGKGOHKKTZNYBO-INIZCTEOSA-N 2 1 386.492 3.536 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000538750578 870562054 /nfs/dbraw/zinc/56/20/54/870562054.db2.gz KGKGOHKKTZNYBO-INIZCTEOSA-N 2 1 386.492 3.536 20 0 GHADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000538752140 870570509 /nfs/dbraw/zinc/57/05/09/870570509.db2.gz LGOJQNOLURMOTI-MRXNPFEDSA-N 2 1 391.353 3.889 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000538752140 870570514 /nfs/dbraw/zinc/57/05/14/870570514.db2.gz LGOJQNOLURMOTI-MRXNPFEDSA-N 2 1 391.353 3.889 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000538752140 870570520 /nfs/dbraw/zinc/57/05/20/870570520.db2.gz LGOJQNOLURMOTI-MRXNPFEDSA-N 2 1 391.353 3.889 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000538752140 870570523 /nfs/dbraw/zinc/57/05/23/870570523.db2.gz LGOJQNOLURMOTI-MRXNPFEDSA-N 2 1 391.353 3.889 20 0 GHADMP C[C@H](C(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000525393657 870602618 /nfs/dbraw/zinc/60/26/18/870602618.db2.gz SGRPTALNVPLJSV-LEWJYISDSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000525393657 870602625 /nfs/dbraw/zinc/60/26/25/870602625.db2.gz SGRPTALNVPLJSV-LEWJYISDSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000525393657 870602630 /nfs/dbraw/zinc/60/26/30/870602630.db2.gz SGRPTALNVPLJSV-LEWJYISDSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000525393657 870602635 /nfs/dbraw/zinc/60/26/35/870602635.db2.gz SGRPTALNVPLJSV-LEWJYISDSA-N 2 1 391.559 3.556 20 0 GHADMP COc1ccc([C@@H](C)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000248744111 870617516 /nfs/dbraw/zinc/61/75/16/870617516.db2.gz RIKHPZRHZHMYDM-WGMWDUQUSA-N 2 1 386.536 3.751 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2nc3cc(F)ccc3n2C)CC[N@@H+]1Cc1ccccc1 ZINC000540170785 870656104 /nfs/dbraw/zinc/65/61/04/870656104.db2.gz WLVJIRNPBVOXGD-PXNSSMCTSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2nc3cc(F)ccc3n2C)CC[N@H+]1Cc1ccccc1 ZINC000540170785 870656108 /nfs/dbraw/zinc/65/61/08/870656108.db2.gz WLVJIRNPBVOXGD-PXNSSMCTSA-N 2 1 380.511 3.898 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)c1 ZINC000525432885 870669667 /nfs/dbraw/zinc/66/96/67/870669667.db2.gz OXZTXGGVZZOBSX-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000525432885 870669672 /nfs/dbraw/zinc/66/96/72/870669672.db2.gz OXZTXGGVZZOBSX-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000525432885 870669679 /nfs/dbraw/zinc/66/96/79/870669679.db2.gz OXZTXGGVZZOBSX-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CN2C(=S)N=NC2CCC2CCCC2)CC1 ZINC000766383005 870669926 /nfs/dbraw/zinc/66/99/26/870669926.db2.gz TYAGDJPEJROAGF-UHFFFAOYSA-N 2 1 379.618 3.701 20 0 GHADMP C[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2Br)CC1 ZINC001235679307 887577099 /nfs/dbraw/zinc/57/70/99/887577099.db2.gz SDDHXKFGZYCQLO-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000122221323 882447521 /nfs/dbraw/zinc/44/75/21/882447521.db2.gz NRFKFDCLZGRFCK-UHFFFAOYSA-N 2 1 395.613 3.682 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000122221323 882447530 /nfs/dbraw/zinc/44/75/30/882447530.db2.gz NRFKFDCLZGRFCK-UHFFFAOYSA-N 2 1 395.613 3.682 20 0 GHADMP Cc1cc(C)c(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000540222285 870806847 /nfs/dbraw/zinc/80/68/47/870806847.db2.gz PMWAKDUCPLLXPF-UHFFFAOYSA-N 2 1 399.623 3.809 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C(C)C)cc1Cl ZINC000525516341 870844297 /nfs/dbraw/zinc/84/42/97/870844297.db2.gz LSFJIQKTRMFLBB-ZWKOTPCHSA-N 2 1 382.976 3.785 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C(C)C)cc1Cl ZINC000525516341 870844309 /nfs/dbraw/zinc/84/43/09/870844309.db2.gz LSFJIQKTRMFLBB-ZWKOTPCHSA-N 2 1 382.976 3.785 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C(C)C)cc1Cl ZINC000525516341 870844324 /nfs/dbraw/zinc/84/43/24/870844324.db2.gz LSFJIQKTRMFLBB-ZWKOTPCHSA-N 2 1 382.976 3.785 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538914282 870872091 /nfs/dbraw/zinc/87/20/91/870872091.db2.gz ZMKFAVXKSYRHDW-HXUWFJFHSA-N 2 1 397.607 3.794 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538914282 870872109 /nfs/dbraw/zinc/87/21/09/870872109.db2.gz ZMKFAVXKSYRHDW-HXUWFJFHSA-N 2 1 397.607 3.794 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1)CC1CC1 ZINC000538914282 870872124 /nfs/dbraw/zinc/87/21/24/870872124.db2.gz ZMKFAVXKSYRHDW-HXUWFJFHSA-N 2 1 397.607 3.794 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168837099 870894629 /nfs/dbraw/zinc/89/46/29/870894629.db2.gz ZRBFBFXSZMVJJL-FRYIKTPZSA-N 2 1 388.556 3.551 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000249744788 870897821 /nfs/dbraw/zinc/89/78/21/870897821.db2.gz LYVVCCHVIHLSIR-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000249744788 870897834 /nfs/dbraw/zinc/89/78/34/870897834.db2.gz LYVVCCHVIHLSIR-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000249744788 870897848 /nfs/dbraw/zinc/89/78/48/870897848.db2.gz LYVVCCHVIHLSIR-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463100187 870922996 /nfs/dbraw/zinc/92/29/96/870922996.db2.gz WQUHOHNQZSEGDF-OAHLLOKOSA-N 2 1 396.329 3.523 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463100187 870923034 /nfs/dbraw/zinc/92/30/34/870923034.db2.gz WQUHOHNQZSEGDF-OAHLLOKOSA-N 2 1 396.329 3.523 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)CC1 ZINC000617866485 870977181 /nfs/dbraw/zinc/97/71/81/870977181.db2.gz NXYPVQJCWBJUIZ-UHFFFAOYSA-N 2 1 386.565 3.949 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463191725 871098351 /nfs/dbraw/zinc/09/83/51/871098351.db2.gz NSXRIZYAAVSWEA-ICSRJNTNSA-N 2 1 384.520 3.725 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463191725 871098371 /nfs/dbraw/zinc/09/83/71/871098371.db2.gz NSXRIZYAAVSWEA-ICSRJNTNSA-N 2 1 384.520 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@]1(CC3CC3)CCCN1C(=O)OC(C)(C)C)C2 ZINC001169118419 871207913 /nfs/dbraw/zinc/20/79/13/871207913.db2.gz JIWOMGZOUKQFMW-NXWNEQKCSA-N 2 1 377.573 3.771 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1 ZINC000539045730 871218644 /nfs/dbraw/zinc/21/86/44/871218644.db2.gz FLJGSVCRBZJKNS-WZONZLPQSA-N 2 1 383.536 3.616 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1 ZINC000539045730 871218659 /nfs/dbraw/zinc/21/86/59/871218659.db2.gz FLJGSVCRBZJKNS-WZONZLPQSA-N 2 1 383.536 3.616 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130385 871218800 /nfs/dbraw/zinc/21/88/00/871218800.db2.gz NIKNYMSHBXOVDX-TXVWBRJLSA-N 2 1 391.600 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CCn4c(-c5ccccc5)cnc43)CC1)C2 ZINC001169133166 871222685 /nfs/dbraw/zinc/22/26/85/871222685.db2.gz CEEMRHZZXIFRMJ-AERCQKQUSA-N 2 1 376.548 3.913 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134012 871222884 /nfs/dbraw/zinc/22/28/84/871222884.db2.gz PHISCOOOPPYQGP-BQJUDKOJSA-N 2 1 375.507 3.849 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169109186 871232556 /nfs/dbraw/zinc/23/25/56/871232556.db2.gz ZVBLVMLQHVRAKL-PCJLFUNRSA-N 2 1 382.589 3.705 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109186 871232578 /nfs/dbraw/zinc/23/25/78/871232578.db2.gz ZVBLVMLQHVRAKL-PCJLFUNRSA-N 2 1 382.589 3.705 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109186 871232591 /nfs/dbraw/zinc/23/25/91/871232591.db2.gz ZVBLVMLQHVRAKL-PCJLFUNRSA-N 2 1 382.589 3.705 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169109370 871235524 /nfs/dbraw/zinc/23/55/24/871235524.db2.gz BHJGVRIBXYZWSJ-OWZKRDHZSA-N 2 1 381.486 3.885 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000539086351 871236629 /nfs/dbraw/zinc/23/66/29/871236629.db2.gz JPIBFWZHTBREGY-IRXDYDNUSA-N 2 1 394.510 3.701 20 0 GHADMP COC(=O)CCC[NH+]1CCC(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)CC1 ZINC000463246515 871259346 /nfs/dbraw/zinc/25/93/46/871259346.db2.gz IQNKYVICRUHVMM-UHFFFAOYSA-N 2 1 386.540 3.700 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716732281 871283051 /nfs/dbraw/zinc/28/30/51/871283051.db2.gz JXESGVCMARACBK-WOZUAGRISA-N 2 1 385.552 3.639 20 0 GHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001169366652 871431323 /nfs/dbraw/zinc/43/13/23/871431323.db2.gz MIILPSVTKRXUMR-UDIDDNNKSA-N 2 1 385.596 3.960 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000552033726 871433761 /nfs/dbraw/zinc/43/37/61/871433761.db2.gz PHFMQFASKPDZGR-UHFFFAOYSA-N 2 1 379.548 3.969 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000462038889 871490894 /nfs/dbraw/zinc/49/08/94/871490894.db2.gz NAVJFXJRDIEQHG-XMMPIXPASA-N 2 1 391.559 3.776 20 0 GHADMP O=C([C@H]1CCCC[NH+]1Cc1ccccc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000462038889 871490898 /nfs/dbraw/zinc/49/08/98/871490898.db2.gz NAVJFXJRDIEQHG-XMMPIXPASA-N 2 1 391.559 3.776 20 0 GHADMP O=C([C@H]1CCCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000462038889 871490918 /nfs/dbraw/zinc/49/09/18/871490918.db2.gz NAVJFXJRDIEQHG-XMMPIXPASA-N 2 1 391.559 3.776 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206014003 871705247 /nfs/dbraw/zinc/70/52/47/871705247.db2.gz UTJLPAJBWLRIDI-WCQYABFASA-N 2 1 375.738 3.918 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Oc4cnccn4)cc3)CC2)C[C@H](C)O1 ZINC000092587508 871771157 /nfs/dbraw/zinc/77/11/57/871771157.db2.gz GLBSCMWQYJDTIZ-KDURUIRLSA-N 2 1 396.535 3.590 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000462186432 871790957 /nfs/dbraw/zinc/79/09/57/871790957.db2.gz GBTUMOQIHGQKTR-CVDCTZTESA-N 2 1 377.532 3.533 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169710148 871793894 /nfs/dbraw/zinc/79/38/94/871793894.db2.gz MIFLIRHMURSHHJ-NRFANRHFSA-N 2 1 391.531 3.733 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169710148 871793901 /nfs/dbraw/zinc/79/39/01/871793901.db2.gz MIFLIRHMURSHHJ-NRFANRHFSA-N 2 1 391.531 3.733 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N(C1CC1)C1CCCC1 ZINC000092821690 871848884 /nfs/dbraw/zinc/84/88/84/871848884.db2.gz LALRKISANXJJAH-UHFFFAOYSA-N 2 1 384.568 3.554 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1NC(C)=O ZINC000447563101 871871381 /nfs/dbraw/zinc/87/13/81/871871381.db2.gz OETUJDVCFIDITO-DKUWSORSSA-N 2 1 393.531 3.939 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1NC(C)=O ZINC000447563101 871871407 /nfs/dbraw/zinc/87/14/07/871871407.db2.gz OETUJDVCFIDITO-DKUWSORSSA-N 2 1 393.531 3.939 20 0 GHADMP CS(=O)(=O)C1CCC([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169872655 871974590 /nfs/dbraw/zinc/97/45/90/871974590.db2.gz CKKBOHSUJDOXBN-RTWGARKQSA-N 2 1 399.000 3.768 20 0 GHADMP OC[C@H](CNc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC001169897039 871986321 /nfs/dbraw/zinc/98/63/21/871986321.db2.gz ADDOKSUHGLBLPT-PZJWPPBQSA-N 2 1 378.520 3.614 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 ZINC000552090378 871994752 /nfs/dbraw/zinc/99/47/52/871994752.db2.gz IFBVMEFOJLLKRB-XLIONFOSSA-N 2 1 381.524 3.512 20 0 GHADMP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093659878 872326713 /nfs/dbraw/zinc/32/67/13/872326713.db2.gz YWNLTGNZHBKXIR-FQEVSTJZSA-N 2 1 398.551 3.555 20 0 GHADMP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093659878 872326721 /nfs/dbraw/zinc/32/67/21/872326721.db2.gz YWNLTGNZHBKXIR-FQEVSTJZSA-N 2 1 398.551 3.555 20 0 GHADMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093659878 872326734 /nfs/dbraw/zinc/32/67/34/872326734.db2.gz YWNLTGNZHBKXIR-FQEVSTJZSA-N 2 1 398.551 3.555 20 0 GHADMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093659878 872326737 /nfs/dbraw/zinc/32/67/37/872326737.db2.gz YWNLTGNZHBKXIR-FQEVSTJZSA-N 2 1 398.551 3.555 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc2c1OCO2 ZINC000552273228 872367053 /nfs/dbraw/zinc/36/70/53/872367053.db2.gz ZCKHRIGCFTTYRU-UHFFFAOYSA-N 2 1 394.515 3.912 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000619176686 872392950 /nfs/dbraw/zinc/39/29/50/872392950.db2.gz DKLBLOJVNXSEFL-UHFFFAOYSA-N 2 1 384.483 3.657 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3c(cccc3Cl)s2)CC1 ZINC000619176582 872393234 /nfs/dbraw/zinc/39/32/34/872393234.db2.gz DJTOJRZRFPOBCC-UHFFFAOYSA-N 2 1 386.908 3.954 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000448050127 872776701 /nfs/dbraw/zinc/77/67/01/872776701.db2.gz SLGUTLBAFANPGQ-LPHOPBHVSA-N 2 1 397.485 3.561 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)CC1CC1 ZINC000527198530 872845374 /nfs/dbraw/zinc/84/53/74/872845374.db2.gz MTCVBLCTOZLJSZ-GOSISDBHSA-N 2 1 392.609 3.985 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1)CC1CC1 ZINC000527198530 872845383 /nfs/dbraw/zinc/84/53/83/872845383.db2.gz MTCVBLCTOZLJSZ-GOSISDBHSA-N 2 1 392.609 3.985 20 0 GHADMP CC[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000152763813 872854593 /nfs/dbraw/zinc/85/45/93/872854593.db2.gz WWBQATUSFWTJQE-OXJNMPFZSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000152763813 872854607 /nfs/dbraw/zinc/85/46/07/872854607.db2.gz WWBQATUSFWTJQE-OXJNMPFZSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000152763813 872854622 /nfs/dbraw/zinc/85/46/22/872854622.db2.gz WWBQATUSFWTJQE-OXJNMPFZSA-N 2 1 397.485 3.689 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152975961 873031893 /nfs/dbraw/zinc/03/18/93/873031893.db2.gz LUEIXUIKRCWZRW-GOSISDBHSA-N 2 1 385.527 3.823 20 0 GHADMP C[C@H](Cc1ccsc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000541226161 873189877 /nfs/dbraw/zinc/18/98/77/873189877.db2.gz XVEIAWWQGOXMRK-LJQANCHMSA-N 2 1 399.604 3.639 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000448471259 873437397 /nfs/dbraw/zinc/43/73/97/873437397.db2.gz CAJYXYZDCAPEGU-WOJBJXKFSA-N 2 1 388.600 3.783 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccsc3[C@H]2C)CC1 ZINC001197432207 873810814 /nfs/dbraw/zinc/81/08/14/873810814.db2.gz PNIWDRNZPNJKAM-GOSISDBHSA-N 2 1 397.588 3.756 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccsc3[C@H]2C)CC1 ZINC001197432207 873810824 /nfs/dbraw/zinc/81/08/24/873810824.db2.gz PNIWDRNZPNJKAM-GOSISDBHSA-N 2 1 397.588 3.756 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000541535919 873825017 /nfs/dbraw/zinc/82/50/17/873825017.db2.gz OPZOAZUHXVFFCU-IBGZPJMESA-N 2 1 375.520 3.672 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@@H]1C ZINC000769215097 873897925 /nfs/dbraw/zinc/89/79/25/873897925.db2.gz ZHDUOWRVEWCUAN-ROUUACIJSA-N 2 1 376.541 3.825 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@@H]1C ZINC000769215097 873897941 /nfs/dbraw/zinc/89/79/41/873897941.db2.gz ZHDUOWRVEWCUAN-ROUUACIJSA-N 2 1 376.541 3.825 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@@H]1C ZINC000769215097 873897959 /nfs/dbraw/zinc/89/79/59/873897959.db2.gz ZHDUOWRVEWCUAN-ROUUACIJSA-N 2 1 376.541 3.825 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@@H]1C ZINC000769215097 873897978 /nfs/dbraw/zinc/89/79/78/873897978.db2.gz ZHDUOWRVEWCUAN-ROUUACIJSA-N 2 1 376.541 3.825 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2c(c1)CCCC2 ZINC000541601535 873921907 /nfs/dbraw/zinc/92/19/07/873921907.db2.gz GTZNSIQJWGVDKT-YDHSSHFGSA-N 2 1 397.607 3.985 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)CCCC2 ZINC000541601535 873921914 /nfs/dbraw/zinc/92/19/14/873921914.db2.gz GTZNSIQJWGVDKT-YDHSSHFGSA-N 2 1 397.607 3.985 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000769555770 874157190 /nfs/dbraw/zinc/15/71/90/874157190.db2.gz VTUYUJHMYVEXIP-NRFANRHFSA-N 2 1 388.625 3.732 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000541762704 874228049 /nfs/dbraw/zinc/22/80/49/874228049.db2.gz XFMQHBWBCPIMJD-UHFFFAOYSA-N 2 1 387.465 3.694 20 0 GHADMP Fc1cc(Br)cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1 ZINC000449065534 874404181 /nfs/dbraw/zinc/40/41/81/874404181.db2.gz ZSJRHBHZRKYYKH-UHFFFAOYSA-N 2 1 393.300 3.710 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449150445 874538663 /nfs/dbraw/zinc/53/86/63/874538663.db2.gz RELFUHDILKMMGI-BDVYOWHSSA-N 2 1 399.348 3.661 20 0 GHADMP C[C@@H](C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172782 874551775 /nfs/dbraw/zinc/55/17/75/874551775.db2.gz DMWLRNUXFQIQKP-OALUTQOASA-N 2 1 388.577 3.694 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3cn(C)nc3Br)cc2)C1 ZINC000858097557 882842408 /nfs/dbraw/zinc/84/24/08/882842408.db2.gz QXVXMSMXHLQHKI-HNNXBMFYSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Br)cc2)C1 ZINC000858097557 882842422 /nfs/dbraw/zinc/84/24/22/882842422.db2.gz QXVXMSMXHLQHKI-HNNXBMFYSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3Br)cc2)C1 ZINC000858097557 882842437 /nfs/dbraw/zinc/84/24/37/882842437.db2.gz QXVXMSMXHLQHKI-HNNXBMFYSA-N 2 1 391.357 3.704 20 0 GHADMP COc1ccc(-n2cc(CN[C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222003 874610669 /nfs/dbraw/zinc/61/06/69/874610669.db2.gz BUZWNWRPJQUTPB-SIKLNZKXSA-N 2 1 390.531 3.881 20 0 GHADMP COc1ccc(-n2cc(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222003 874610672 /nfs/dbraw/zinc/61/06/72/874610672.db2.gz BUZWNWRPJQUTPB-SIKLNZKXSA-N 2 1 390.531 3.881 20 0 GHADMP COc1ccc(-n2cc(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222003 874610681 /nfs/dbraw/zinc/61/06/81/874610681.db2.gz BUZWNWRPJQUTPB-SIKLNZKXSA-N 2 1 390.531 3.881 20 0 GHADMP C[C@H]1CC[C@]2(CC[N@@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)C1 ZINC000541952710 874622349 /nfs/dbraw/zinc/62/23/49/874622349.db2.gz VZENDUVYHSLPOL-AVRDEDQJSA-N 2 1 387.593 3.686 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCCO1 ZINC000449282429 874667034 /nfs/dbraw/zinc/66/70/34/874667034.db2.gz HMSHGTRXAIBTGD-SUMWQHHRSA-N 2 1 385.321 3.666 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000134335672 882853852 /nfs/dbraw/zinc/85/38/52/882853852.db2.gz YXSUGMJAHXAUAH-KRWDZBQOSA-N 2 1 387.749 3.526 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC000449320799 874726922 /nfs/dbraw/zinc/72/69/22/874726922.db2.gz PUHVYMBIMUDCDA-PPHZAIPVSA-N 2 1 384.589 3.750 20 0 GHADMP Cc1cc(C2CC[NH+](CCCC[NH+]3CCC(c4cc(C)[nH]n4)CC3)CC2)[nH]n1 ZINC000542046167 874817398 /nfs/dbraw/zinc/81/73/98/874817398.db2.gz WIZOXCDYRORMGV-UHFFFAOYSA-N 2 1 384.572 3.589 20 0 GHADMP Cc1cc(C2CC[NH+](CCCC[NH+]3CCC(c4cc(C)[nH]n4)CC3)CC2)n[nH]1 ZINC000542046167 874817415 /nfs/dbraw/zinc/81/74/15/874817415.db2.gz WIZOXCDYRORMGV-UHFFFAOYSA-N 2 1 384.572 3.589 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]C3CC[NH+](CC(C)C)CC3)cnc12 ZINC001199143835 874820357 /nfs/dbraw/zinc/82/03/57/874820357.db2.gz KNQIPWJBQQSZQW-UHFFFAOYSA-N 2 1 379.346 3.615 20 0 GHADMP C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730001 882873998 /nfs/dbraw/zinc/87/39/98/882873998.db2.gz PFKQIRQWFNLINM-XUZZJYLKSA-N 2 1 383.580 3.622 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528671375 874894369 /nfs/dbraw/zinc/89/43/69/874894369.db2.gz XGMDZJNHVUXRNQ-TZIWHRDSSA-N 2 1 389.971 3.639 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528671375 874894374 /nfs/dbraw/zinc/89/43/74/874894374.db2.gz XGMDZJNHVUXRNQ-TZIWHRDSSA-N 2 1 389.971 3.639 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000528697662 874907479 /nfs/dbraw/zinc/90/74/79/874907479.db2.gz OEKYYDDFLDHWPD-YTFSRNRJSA-N 2 1 385.596 3.725 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000528697197 874909208 /nfs/dbraw/zinc/90/92/08/874909208.db2.gz KZPSZCLCZLSSAC-DNVJHFABSA-N 2 1 385.596 3.725 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000528697197 874909220 /nfs/dbraw/zinc/90/92/20/874909220.db2.gz KZPSZCLCZLSSAC-DNVJHFABSA-N 2 1 385.596 3.725 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000528697197 874909228 /nfs/dbraw/zinc/90/92/28/874909228.db2.gz KZPSZCLCZLSSAC-DNVJHFABSA-N 2 1 385.596 3.725 20 0 GHADMP CSc1ccccc1C[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000542144004 875018618 /nfs/dbraw/zinc/01/86/18/875018618.db2.gz PSQKCKUONVLDFV-HKUYNNGSSA-N 2 1 389.634 3.979 20 0 GHADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000449657576 875195453 /nfs/dbraw/zinc/19/54/53/875195453.db2.gz PSUSJQVJSZCQMC-YPAWHYETSA-N 2 1 382.552 3.634 20 0 GHADMP Cc1nc(C2CC2)ccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450058976 875878187 /nfs/dbraw/zinc/87/81/87/875878187.db2.gz IWFNDWAFMSRQJE-UHFFFAOYSA-N 2 1 398.595 3.536 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000772340970 875900447 /nfs/dbraw/zinc/90/04/47/875900447.db2.gz AFWHKLOEXJWPQW-HMXCVIKNSA-N 2 1 390.568 3.541 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000772340970 875900456 /nfs/dbraw/zinc/90/04/56/875900456.db2.gz AFWHKLOEXJWPQW-HMXCVIKNSA-N 2 1 390.568 3.541 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000529308268 875992302 /nfs/dbraw/zinc/99/23/02/875992302.db2.gz DOECHQGNVHDNJD-NRFANRHFSA-N 2 1 384.568 3.535 20 0 GHADMP CSc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c1 ZINC000450229733 876125461 /nfs/dbraw/zinc/12/54/61/876125461.db2.gz XSOBENGUKKRDPX-NHCUHLMSSA-N 2 1 389.609 3.818 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(CC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000509463925 876158389 /nfs/dbraw/zinc/15/83/89/876158389.db2.gz MFTSIFHKLZQRAN-MJGOQNOKSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000542495115 883005752 /nfs/dbraw/zinc/00/57/52/883005752.db2.gz UWINMKFZOGCSCK-DRSNIGMVSA-N 2 1 389.490 3.928 20 0 GHADMP Cc1c[nH+]cn1CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000529476654 876212649 /nfs/dbraw/zinc/21/26/49/876212649.db2.gz UWAFNWWQDDBMEF-QHCPKHFHSA-N 2 1 394.563 3.875 20 0 GHADMP Cc1nn2c(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)c(C)nc2s1 ZINC000537659020 883007024 /nfs/dbraw/zinc/00/70/24/883007024.db2.gz PUVUJFWYWDPDAW-OAHLLOKOSA-N 2 1 375.586 3.884 20 0 GHADMP Cc1nn2c(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)c(C)nc2s1 ZINC000537659020 883007042 /nfs/dbraw/zinc/00/70/42/883007042.db2.gz PUVUJFWYWDPDAW-OAHLLOKOSA-N 2 1 375.586 3.884 20 0 GHADMP COc1cccc2c1ccnc2N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450373215 876347787 /nfs/dbraw/zinc/34/77/87/876347787.db2.gz STEQSACHDCNZNS-UHFFFAOYSA-N 2 1 396.579 3.876 20 0 GHADMP Cc1cc(Br)c2c(c1)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000192832157 883029404 /nfs/dbraw/zinc/02/94/04/883029404.db2.gz GJZLVAWJZNXACL-UHFFFAOYSA-N 2 1 394.401 3.532 20 0 GHADMP C[C@@H](c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450642303 876698821 /nfs/dbraw/zinc/69/88/21/876698821.db2.gz IMSACKVMKQXRSF-FUHIMQAGSA-N 2 1 383.502 3.810 20 0 GHADMP CC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537660144 883056343 /nfs/dbraw/zinc/05/63/43/883056343.db2.gz ABYQKQMTNFBFKO-OAQYLSRUSA-N 2 1 393.510 3.750 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537660144 883056363 /nfs/dbraw/zinc/05/63/63/883056363.db2.gz ABYQKQMTNFBFKO-OAQYLSRUSA-N 2 1 393.510 3.750 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537660144 883056379 /nfs/dbraw/zinc/05/63/79/883056379.db2.gz ABYQKQMTNFBFKO-OAQYLSRUSA-N 2 1 393.510 3.750 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862486 883076202 /nfs/dbraw/zinc/07/62/02/883076202.db2.gz NUZSFZAKEHMJLG-UNWVZKJWSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134862486 883076217 /nfs/dbraw/zinc/07/62/17/883076217.db2.gz NUZSFZAKEHMJLG-UNWVZKJWSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134862486 883076231 /nfs/dbraw/zinc/07/62/31/883076231.db2.gz NUZSFZAKEHMJLG-UNWVZKJWSA-N 2 1 380.532 3.528 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)C1 ZINC000850433840 876917778 /nfs/dbraw/zinc/91/77/78/876917778.db2.gz RQGCQBUYRCSAMF-VQIMIIECSA-N 2 1 397.485 3.732 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000537670330 883078763 /nfs/dbraw/zinc/07/87/63/883078763.db2.gz HEAGIPSBSBQZIL-OAQYLSRUSA-N 2 1 386.584 3.813 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786793549 876943052 /nfs/dbraw/zinc/94/30/52/876943052.db2.gz PAKVBZBWBKZPHU-LJQANCHMSA-N 2 1 392.547 3.574 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N(Cc1ccco1)c1ccccc1 ZINC000193077705 883088551 /nfs/dbraw/zinc/08/85/51/883088551.db2.gz JEIHUEQHYRTRFH-UHFFFAOYSA-N 2 1 381.520 3.621 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850580462 877053002 /nfs/dbraw/zinc/05/30/02/877053002.db2.gz NENAKVHIGJAPMW-DKICVRJWSA-N 2 1 378.438 3.638 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787014127 877081247 /nfs/dbraw/zinc/08/12/47/877081247.db2.gz PTWZMXAQQJQRPE-SZVMMIAPSA-N 2 1 394.515 3.622 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001126648407 883095555 /nfs/dbraw/zinc/09/55/55/883095555.db2.gz WUJIUKFZCSPBJG-DENIHFKCSA-N 2 1 395.547 3.906 20 0 GHADMP Clc1ccc(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000450980064 877180941 /nfs/dbraw/zinc/18/09/41/877180941.db2.gz CZOYQQVWVYADCV-QHCPKHFHSA-N 2 1 383.967 3.775 20 0 GHADMP O[C@@H](COc1ccc(F)cc1)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475749864 883108609 /nfs/dbraw/zinc/10/86/09/883108609.db2.gz RPHBLBRNEDGUMC-VWNXMTODSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475749864 883108620 /nfs/dbraw/zinc/10/86/20/883108620.db2.gz RPHBLBRNEDGUMC-VWNXMTODSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475749864 883108646 /nfs/dbraw/zinc/10/86/46/883108646.db2.gz RPHBLBRNEDGUMC-VWNXMTODSA-N 2 1 398.522 3.554 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000174838973 877280485 /nfs/dbraw/zinc/28/04/85/877280485.db2.gz RDFXIBLCXUFOGH-NOTZXAQLSA-N 2 1 398.595 3.603 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC000451064322 877302103 /nfs/dbraw/zinc/30/21/03/877302103.db2.gz OKWNUTOGGXCCTI-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240445 877350271 /nfs/dbraw/zinc/35/02/71/877350271.db2.gz LCEPPEAEXAUSFI-HOCLYGCPSA-N 2 1 378.467 3.583 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000551536441 877398766 /nfs/dbraw/zinc/39/87/66/877398766.db2.gz OEOGWOLXCLVASE-UHFFFAOYSA-N 2 1 387.119 3.815 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cn2)cc1 ZINC000666995608 877419934 /nfs/dbraw/zinc/41/99/34/877419934.db2.gz TVMDJENPKJJVJT-GOSISDBHSA-N 2 1 378.442 3.715 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CCSC1)C1CCCCC1 ZINC000137668684 877586739 /nfs/dbraw/zinc/58/67/39/877586739.db2.gz PONUVFAMYJPLAW-OAQYLSRUSA-N 2 1 389.609 3.505 20 0 GHADMP C[NH+](CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CCSC1 ZINC000137668684 877586750 /nfs/dbraw/zinc/58/67/50/877586750.db2.gz PONUVFAMYJPLAW-OAQYLSRUSA-N 2 1 389.609 3.505 20 0 GHADMP C[NH+](CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCSC1 ZINC000137668684 877586755 /nfs/dbraw/zinc/58/67/55/877586755.db2.gz PONUVFAMYJPLAW-OAQYLSRUSA-N 2 1 389.609 3.505 20 0 GHADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000263308721 877633365 /nfs/dbraw/zinc/63/33/65/877633365.db2.gz YFVMOXDWQUICBV-QUCCMNQESA-N 2 1 397.485 3.694 20 0 GHADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000851812297 877923329 /nfs/dbraw/zinc/92/33/29/877923329.db2.gz HGJHLZWXKBEQQN-PKOBYXMFSA-N 2 1 390.505 3.547 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCCc4ccccc43)c2)C1 ZINC000245476727 877957436 /nfs/dbraw/zinc/95/74/36/877957436.db2.gz TXAALPMRFIQSCI-ISKFKSNPSA-N 2 1 391.559 3.941 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000176187555 878134955 /nfs/dbraw/zinc/13/49/55/878134955.db2.gz DAAMWEVNSHTACL-QGZVFWFLSA-N 2 1 392.503 3.612 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccccc2OCC[NH+](C)C)cc1 ZINC000176187569 878135141 /nfs/dbraw/zinc/13/51/41/878135141.db2.gz DAAMWEVNSHTACL-KRWDZBQOSA-N 2 1 392.503 3.612 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534187 878154042 /nfs/dbraw/zinc/15/40/42/878154042.db2.gz MXTCDWBUMYPBKB-IEBWSBKVSA-N 2 1 377.960 3.667 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534187 878154048 /nfs/dbraw/zinc/15/40/48/878154048.db2.gz MXTCDWBUMYPBKB-IEBWSBKVSA-N 2 1 377.960 3.667 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000537721585 878192192 /nfs/dbraw/zinc/19/21/92/878192192.db2.gz JFEQNMDZRYXKJG-RBUKOAKNSA-N 2 1 397.485 3.785 20 0 GHADMP COc1cc(OC)cc([C@@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000788604696 878201699 /nfs/dbraw/zinc/20/16/99/878201699.db2.gz VLJRECKEMSMSCF-VUNKPPBISA-N 2 1 398.547 3.770 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000176319970 878211168 /nfs/dbraw/zinc/21/11/68/878211168.db2.gz MWZZRAACHNPBOB-SFTDATJTSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000176319970 878211190 /nfs/dbraw/zinc/21/11/90/878211190.db2.gz MWZZRAACHNPBOB-SFTDATJTSA-N 2 1 398.551 3.584 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3csc4ccccc34)c2)C1 ZINC000237922973 878304223 /nfs/dbraw/zinc/30/42/23/878304223.db2.gz PWAKQNWVWJWMQO-LJQANCHMSA-N 2 1 393.556 3.888 20 0 GHADMP Cc1cc(C)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000237909274 878314226 /nfs/dbraw/zinc/31/42/26/878314226.db2.gz QOJWVHIVRIYNNH-JOCHJYFZSA-N 2 1 379.548 3.599 20 0 GHADMP Cc1ccc(-c2noc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n2)cc1 ZINC000530701176 878344251 /nfs/dbraw/zinc/34/42/51/878344251.db2.gz HMARXJAGTJRPFU-OALUTQOASA-N 2 1 398.551 3.756 20 0 GHADMP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245728440 878490106 /nfs/dbraw/zinc/49/01/06/878490106.db2.gz PWJSMYTZQMRGEQ-BXXSPATCSA-N 2 1 389.543 3.857 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000852753455 878578673 /nfs/dbraw/zinc/57/86/73/878578673.db2.gz BHCAWGNKZROXBA-PZJWPPBQSA-N 2 1 398.595 3.716 20 0 GHADMP CC1(C)C[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000852976388 878704399 /nfs/dbraw/zinc/70/43/99/878704399.db2.gz VDGHXDKPUNFLSR-RTWAWAEBSA-N 2 1 382.548 3.705 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000245923430 878752937 /nfs/dbraw/zinc/75/29/37/878752937.db2.gz HFIZWDIUHFDNRB-XZOQPEGZSA-N 2 1 398.595 3.688 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1F ZINC000853120016 878827156 /nfs/dbraw/zinc/82/71/56/878827156.db2.gz DSRSQSRQZAFLLS-AVRDEDQJSA-N 2 1 386.486 3.890 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC[NH+](C)CC1 ZINC000538121362 878846578 /nfs/dbraw/zinc/84/65/78/878846578.db2.gz MFJSGGXIIIZWRF-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1Cl ZINC000177842716 878883620 /nfs/dbraw/zinc/88/36/20/878883620.db2.gz FFGFGJNGQKXLNX-PXNSSMCTSA-N 2 1 394.991 3.706 20 0 GHADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241082 878924524 /nfs/dbraw/zinc/92/45/24/878924524.db2.gz UHMKZMZXXMZORA-UYAOXDASSA-N 2 1 397.563 3.553 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241657 878926643 /nfs/dbraw/zinc/92/66/43/878926643.db2.gz WTOFIUOEWDWBPK-HOJAQTOUSA-N 2 1 379.589 3.734 20 0 GHADMP CCC(CC)(CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000246169196 879097148 /nfs/dbraw/zinc/09/71/48/879097148.db2.gz FRYWRJVBCLMCAA-QKNQBKEWSA-N 2 1 388.600 3.878 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc4ccccc4[nH]c3=O)CC2)CC1 ZINC000531191040 879283692 /nfs/dbraw/zinc/28/36/92/879283692.db2.gz FVGBQFUKBFRUQD-UHFFFAOYSA-N 2 1 396.579 3.569 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccccc2[nH]c1=O ZINC000531191040 879283707 /nfs/dbraw/zinc/28/37/07/879283707.db2.gz FVGBQFUKBFRUQD-UHFFFAOYSA-N 3 1 396.579 3.569 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccccc2[nH]c1=O ZINC000531191040 879283726 /nfs/dbraw/zinc/28/37/26/879283726.db2.gz FVGBQFUKBFRUQD-UHFFFAOYSA-N 3 1 396.579 3.569 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000616999892 879305700 /nfs/dbraw/zinc/30/57/00/879305700.db2.gz PPYIMCSVGFVDFW-MJGOQNOKSA-N 2 1 386.584 3.730 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000616999892 879305718 /nfs/dbraw/zinc/30/57/18/879305718.db2.gz PPYIMCSVGFVDFW-MJGOQNOKSA-N 2 1 386.584 3.730 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)c2cc1C ZINC000246320777 879387553 /nfs/dbraw/zinc/38/75/53/879387553.db2.gz GZLIJSUBBUVHKE-BHIFYINESA-N 2 1 398.595 3.600 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)c2cc1C ZINC000246320777 879387567 /nfs/dbraw/zinc/38/75/67/879387567.db2.gz GZLIJSUBBUVHKE-BHIFYINESA-N 2 1 398.595 3.600 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@H]4C)C3)c2cc1C ZINC000246320777 879387576 /nfs/dbraw/zinc/38/75/76/879387576.db2.gz GZLIJSUBBUVHKE-BHIFYINESA-N 2 1 398.595 3.600 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C(C)C)c1 ZINC000643085344 912453957 /nfs/dbraw/zinc/45/39/57/912453957.db2.gz MZKDIIQNLJPXPH-PKTZIBPZSA-N 2 1 398.595 3.654 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246461297 879583130 /nfs/dbraw/zinc/58/31/30/879583130.db2.gz JNQGYXHRLDSLHC-UGKGYDQZSA-N 2 1 386.584 3.603 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246547302 879669471 /nfs/dbraw/zinc/66/94/71/879669471.db2.gz YMCXOBZYMXHKDV-WSTZPKSXSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000246547302 879669458 /nfs/dbraw/zinc/66/94/58/879669458.db2.gz YMCXOBZYMXHKDV-WSTZPKSXSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246547302 879669465 /nfs/dbraw/zinc/66/94/65/879669465.db2.gz YMCXOBZYMXHKDV-WSTZPKSXSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC[N@H+]1C ZINC000246564766 879689080 /nfs/dbraw/zinc/68/90/80/879689080.db2.gz ZDRHRYKFIOSSCP-NSISKUIASA-N 2 1 392.975 3.601 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCCCC1 ZINC000246638204 879735942 /nfs/dbraw/zinc/73/59/42/879735942.db2.gz IBPLXSRDBPRIOL-DFQSSKMNSA-N 2 1 377.598 3.758 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000531379026 879737715 /nfs/dbraw/zinc/73/77/15/879737715.db2.gz NQCTVFRWWYTYBF-CWRNSKLLSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000531379026 879737717 /nfs/dbraw/zinc/73/77/17/879737717.db2.gz NQCTVFRWWYTYBF-CWRNSKLLSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000531379026 879737725 /nfs/dbraw/zinc/73/77/25/879737725.db2.gz NQCTVFRWWYTYBF-CWRNSKLLSA-N 2 1 375.340 3.538 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)cc1 ZINC000790516451 879787532 /nfs/dbraw/zinc/78/75/32/879787532.db2.gz CWNFEZIIQHUPOT-UHFFFAOYSA-N 2 1 398.938 3.815 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000246924967 879851797 /nfs/dbraw/zinc/85/17/97/879851797.db2.gz NBYQIWWCEKLWBL-PUHATCMVSA-N 2 1 399.579 3.555 20 0 GHADMP Cc1ccc(NC(=O)COc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)cc1 ZINC000247000106 879877477 /nfs/dbraw/zinc/87/74/77/879877477.db2.gz LMHHUHNRFZJVFT-SIKLNZKXSA-N 2 1 395.547 3.627 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000285937416 912508609 /nfs/dbraw/zinc/50/86/09/912508609.db2.gz FNSXHZMJRWAQQG-JOCHJYFZSA-N 2 1 382.552 3.778 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2Br)[C@@H](C)C1 ZINC000247152308 879931008 /nfs/dbraw/zinc/93/10/08/879931008.db2.gz XCFAXVDAGGPVFT-WMZOPIPTSA-N 2 1 399.373 3.555 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000247338042 879974783 /nfs/dbraw/zinc/97/47/83/879974783.db2.gz NLQVBAKXYMIGKV-JVICHNFNSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247338042 879974799 /nfs/dbraw/zinc/97/47/99/879974799.db2.gz NLQVBAKXYMIGKV-JVICHNFNSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000247338042 879974808 /nfs/dbraw/zinc/97/48/08/879974808.db2.gz NLQVBAKXYMIGKV-JVICHNFNSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC(=O)Nc4ccccc43)CC2)oc1C ZINC000542475070 879976842 /nfs/dbraw/zinc/97/68/42/879976842.db2.gz SSNWDDVAYGTYTB-IBGZPJMESA-N 2 1 382.508 3.567 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000790749336 879980059 /nfs/dbraw/zinc/98/00/59/879980059.db2.gz ZAHFLPLFLXPKCM-DSKNIHGZSA-N 2 1 399.579 3.934 20 0 GHADMP CN(c1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000791127127 880202211 /nfs/dbraw/zinc/20/22/11/880202211.db2.gz BGORPEIMHVAWQF-UHFFFAOYSA-N 2 1 386.584 3.810 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531705595 880333618 /nfs/dbraw/zinc/33/36/18/880333618.db2.gz PGGYYVUATCEGOJ-UYAOXDASSA-N 2 1 377.532 3.787 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184752708 880374609 /nfs/dbraw/zinc/37/46/09/880374609.db2.gz BKWAXKQRSHJCQK-RTBURBONSA-N 2 1 395.547 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCC3([NH+]4CCCC4)CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453094930 880460497 /nfs/dbraw/zinc/46/04/97/880460497.db2.gz GOWBUIWXSOCMPP-SGNDLWITSA-N 2 1 397.607 3.664 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453107265 880474354 /nfs/dbraw/zinc/47/43/54/880474354.db2.gz ICRZAMGIIDPWBL-RBZQAINGSA-N 2 1 399.623 3.909 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453107265 880474361 /nfs/dbraw/zinc/47/43/61/880474361.db2.gz ICRZAMGIIDPWBL-RBZQAINGSA-N 2 1 399.623 3.909 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453107265 880474372 /nfs/dbraw/zinc/47/43/72/880474372.db2.gz ICRZAMGIIDPWBL-RBZQAINGSA-N 2 1 399.623 3.909 20 0 GHADMP OCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000453147925 880513419 /nfs/dbraw/zinc/51/34/19/880513419.db2.gz ZIAPFQKEHVAGRS-VXNXHJTFSA-N 2 1 380.532 3.591 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000776865746 880915035 /nfs/dbraw/zinc/91/50/35/880915035.db2.gz SUJFXLQBDZRXRU-YUVXSKOASA-N 2 1 387.568 3.744 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)o1 ZINC000132329160 881091318 /nfs/dbraw/zinc/09/13/18/881091318.db2.gz XACJUACCJVMFJO-UHFFFAOYSA-N 2 1 393.487 3.921 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000429533469 881273919 /nfs/dbraw/zinc/27/39/19/881273919.db2.gz WTAGOTFAMUVDIE-SIKLNZKXSA-N 2 1 385.577 3.760 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490914 883141829 /nfs/dbraw/zinc/14/18/29/883141829.db2.gz SIIJKKXSYZKJJU-AEFFLSMTSA-N 2 1 390.572 3.797 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000476799572 883183359 /nfs/dbraw/zinc/18/33/59/883183359.db2.gz AEQDKHJSCSTWQS-UGKGYDQZSA-N 2 1 386.584 3.909 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134994 883191094 /nfs/dbraw/zinc/19/10/94/883191094.db2.gz RUGMDCMQXYTZQT-IFMALSPDSA-N 3 1 381.564 3.800 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134994 883191100 /nfs/dbraw/zinc/19/11/00/883191100.db2.gz RUGMDCMQXYTZQT-IFMALSPDSA-N 2 1 381.564 3.800 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000195139753 883193016 /nfs/dbraw/zinc/19/30/16/883193016.db2.gz NQEFVLZTUZIAFH-MJGOQNOKSA-N 2 1 384.520 3.885 20 0 GHADMP CCCO[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182158981 883209160 /nfs/dbraw/zinc/20/91/60/883209160.db2.gz LDCLXIBWZUUFEU-SZPZYZBQSA-N 2 1 396.616 3.565 20 0 GHADMP CCCO[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182158981 883209178 /nfs/dbraw/zinc/20/91/78/883209178.db2.gz LDCLXIBWZUUFEU-SZPZYZBQSA-N 2 1 396.616 3.565 20 0 GHADMP CCCO[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](OCCC)CC3)COC2)CC1 ZINC000182158981 883209198 /nfs/dbraw/zinc/20/91/98/883209198.db2.gz LDCLXIBWZUUFEU-SZPZYZBQSA-N 2 1 396.616 3.565 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805184 883219759 /nfs/dbraw/zinc/21/97/59/883219759.db2.gz FBKITWLACOWHBB-XXBNENTESA-N 2 1 396.604 3.953 20 0 GHADMP Fc1ccc(-c2noc([C@]34C[N@@H+](Cc5ccccc5)C[C@H]3C[NH2+]CCC4)n2)cc1 ZINC001212260358 883302796 /nfs/dbraw/zinc/30/27/96/883302796.db2.gz DQEWIESQKFBRMG-AUSIDOKSSA-N 2 1 392.478 3.629 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000476983294 883501142 /nfs/dbraw/zinc/50/11/42/883501142.db2.gz KSURCKOAMONVST-SIKLNZKXSA-N 2 1 392.559 3.680 20 0 GHADMP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211770 883664371 /nfs/dbraw/zinc/66/43/71/883664371.db2.gz DRTZZLVXIAFKQG-KRWDZBQOSA-N 2 1 383.561 3.707 20 0 GHADMP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211770 883664376 /nfs/dbraw/zinc/66/43/76/883664376.db2.gz DRTZZLVXIAFKQG-KRWDZBQOSA-N 2 1 383.561 3.707 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC000666172140 883779517 /nfs/dbraw/zinc/77/95/17/883779517.db2.gz ICRUGMLDIRFBBL-MNEFBYGVSA-N 2 1 381.358 3.991 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483726 883879946 /nfs/dbraw/zinc/87/99/46/883879946.db2.gz IOTPNKLHYQMVOF-UJMXGEILSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483726 883879963 /nfs/dbraw/zinc/87/99/63/883879963.db2.gz IOTPNKLHYQMVOF-UJMXGEILSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483726 883879978 /nfs/dbraw/zinc/87/99/78/883879978.db2.gz IOTPNKLHYQMVOF-UJMXGEILSA-N 2 1 379.589 3.827 20 0 GHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233123 884178117 /nfs/dbraw/zinc/17/81/17/884178117.db2.gz MRZUESYAXJMUGK-RYFAJOAYSA-N 2 1 386.580 3.564 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234421 884187300 /nfs/dbraw/zinc/18/73/00/884187300.db2.gz XHSWYPSASNELNG-RDPSFJRHSA-N 2 1 394.559 3.758 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000250049233 884535218 /nfs/dbraw/zinc/53/52/18/884535218.db2.gz VVIKVGCDGGXQDB-RBUKOAKNSA-N 2 1 392.613 3.552 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)cc1 ZINC000428548037 884606487 /nfs/dbraw/zinc/60/64/87/884606487.db2.gz DPBHOGBYXQURHD-HSZRJFAPSA-N 2 1 395.547 3.737 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000428548037 884606497 /nfs/dbraw/zinc/60/64/97/884606497.db2.gz DPBHOGBYXQURHD-HSZRJFAPSA-N 2 1 395.547 3.737 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1 ZINC000428548037 884606511 /nfs/dbraw/zinc/60/65/11/884606511.db2.gz DPBHOGBYXQURHD-HSZRJFAPSA-N 2 1 395.547 3.737 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000460343225 884949590 /nfs/dbraw/zinc/94/95/90/884949590.db2.gz MEEVNGYIOMHFAM-PMACEKPBSA-N 2 1 379.548 3.988 20 0 GHADMP C[NH+](C)CC1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCCCC1 ZINC000495247666 884971784 /nfs/dbraw/zinc/97/17/84/884971784.db2.gz JXUALTUAXZGTBI-UHFFFAOYSA-N 2 1 383.580 3.548 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000130846511 885217501 /nfs/dbraw/zinc/21/75/01/885217501.db2.gz BAZQOVBBDDRFPV-AWEZNQCLSA-N 2 1 393.329 3.612 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000130846511 885217515 /nfs/dbraw/zinc/21/75/15/885217515.db2.gz BAZQOVBBDDRFPV-AWEZNQCLSA-N 2 1 393.329 3.612 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000495379494 885594336 /nfs/dbraw/zinc/59/43/36/885594336.db2.gz KSESMYRVFMKCEU-CNNODRBYSA-N 2 1 375.520 3.829 20 0 GHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000532494879 885861522 /nfs/dbraw/zinc/86/15/22/885861522.db2.gz VKAVZUJNHDZGSF-UQPPLGOBSA-N 2 1 376.488 3.786 20 0 GHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000532494879 885861530 /nfs/dbraw/zinc/86/15/30/885861530.db2.gz VKAVZUJNHDZGSF-UQPPLGOBSA-N 2 1 376.488 3.786 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000532548684 885982696 /nfs/dbraw/zinc/98/26/96/885982696.db2.gz ZNKHRESBVQFUNY-SFYKDHMMSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000532548684 885982704 /nfs/dbraw/zinc/98/27/04/885982704.db2.gz ZNKHRESBVQFUNY-SFYKDHMMSA-N 2 1 375.520 3.829 20 0 GHADMP CN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000762321998 886029604 /nfs/dbraw/zinc/02/96/04/886029604.db2.gz YOHAGAKSYQWYQP-VNXZQDSDSA-N 2 1 398.595 3.699 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)CC1 ZINC000808177726 886071301 /nfs/dbraw/zinc/07/13/01/886071301.db2.gz WFFIINVGDFLMAM-NRFANRHFSA-N 2 1 386.584 3.783 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001168315539 886103834 /nfs/dbraw/zinc/10/38/34/886103834.db2.gz YCWMDPJVUIAFBZ-OBFZPWGMSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000118779666 886263208 /nfs/dbraw/zinc/26/32/08/886263208.db2.gz WLOJHYSWTZKAPX-UHFFFAOYSA-N 2 1 395.551 3.567 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1)C1CCOCC1 ZINC000862275980 886273872 /nfs/dbraw/zinc/27/38/72/886273872.db2.gz SKIWERLWJBVNJJ-NRFANRHFSA-N 2 1 378.582 3.552 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000524371833 886336837 /nfs/dbraw/zinc/33/68/37/886336837.db2.gz WTENEYOPJINPMQ-FQEVSTJZSA-N 2 1 392.975 3.603 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000862482474 886399641 /nfs/dbraw/zinc/39/96/41/886399641.db2.gz ITHGMKPEQODHIW-VWLOTQADSA-N 2 1 393.575 3.701 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccccn1 ZINC000556869480 886419849 /nfs/dbraw/zinc/41/98/49/886419849.db2.gz IHSKGKHVOLBLEL-BHIFYINESA-N 2 1 392.547 3.691 20 0 GHADMP CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556873339 886434951 /nfs/dbraw/zinc/43/49/51/886434951.db2.gz PWPAFIMXRRWPLF-VHYCJAOWSA-N 2 1 393.575 3.719 20 0 GHADMP COCCC[N@@H+](C1CCC([NH+](C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001168324401 886513948 /nfs/dbraw/zinc/51/39/48/886513948.db2.gz NMBLGUPNSCHWSE-MHJFOBGBSA-N 2 1 397.604 3.597 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc(C)c1OC(F)F ZINC000556916939 886678264 /nfs/dbraw/zinc/67/82/64/886678264.db2.gz XRULDCAAEOCMNU-LJQANCHMSA-N 2 1 381.511 3.505 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccc(Br)n1 ZINC000794462362 886747267 /nfs/dbraw/zinc/74/72/67/886747267.db2.gz NDZYLUYGHYESGE-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1 ZINC001168252695 886786064 /nfs/dbraw/zinc/78/60/64/886786064.db2.gz QPXLWSHPNKEHBJ-UHFFFAOYSA-N 2 1 398.494 3.621 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCCc4ccccc43)cc2)CC1 ZINC000476527282 886812675 /nfs/dbraw/zinc/81/26/75/886812675.db2.gz SXWVVHCOBLIRBE-QHCPKHFHSA-N 2 1 377.532 3.632 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168257773 886867397 /nfs/dbraw/zinc/86/73/97/886867397.db2.gz SKZWYACCBMTUTQ-FKBYEOEOSA-N 2 1 380.532 3.943 20 0 GHADMP FC(F)(F)c1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655755675 887195458 /nfs/dbraw/zinc/19/54/58/887195458.db2.gz HVNIMMVYIIAFPF-ZWKOTPCHSA-N 2 1 397.485 3.517 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](c3nc(C4CC[NH2+]CC4)no3)[C@H](C3CCCC3)C2)cc1 ZINC000863655075 887264788 /nfs/dbraw/zinc/26/47/88/887264788.db2.gz YRPDABABEQGNAF-LEWJYISDSA-N 2 1 380.536 3.942 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(c4c[nH+]cn4C)CC3)o2)cc1 ZINC001184364059 913149320 /nfs/dbraw/zinc/14/93/20/913149320.db2.gz KPGGMBKNDLNIRQ-UHFFFAOYSA-N 2 1 379.460 3.846 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000809594535 887599807 /nfs/dbraw/zinc/59/98/07/887599807.db2.gz WXJDGJHEUJNUFW-UHFFFAOYSA-N 2 1 384.593 3.693 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000809594535 887599815 /nfs/dbraw/zinc/59/98/15/887599815.db2.gz WXJDGJHEUJNUFW-UHFFFAOYSA-N 2 1 384.593 3.693 20 0 GHADMP CC(C)(C)OC(=O)N(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000809594870 887602749 /nfs/dbraw/zinc/60/27/49/887602749.db2.gz BVTDBXFDMQVKIM-HKUYNNGSSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000809594870 887602758 /nfs/dbraw/zinc/60/27/58/887602758.db2.gz BVTDBXFDMQVKIM-HKUYNNGSSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000809594870 887602764 /nfs/dbraw/zinc/60/27/64/887602764.db2.gz BVTDBXFDMQVKIM-HKUYNNGSSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000809594870 887602772 /nfs/dbraw/zinc/60/27/72/887602772.db2.gz BVTDBXFDMQVKIM-HKUYNNGSSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000809622858 887621114 /nfs/dbraw/zinc/62/11/14/887621114.db2.gz MZPLBMQOULELLK-USSHROBNSA-N 2 1 379.570 3.776 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000809622858 887621124 /nfs/dbraw/zinc/62/11/24/887621124.db2.gz MZPLBMQOULELLK-USSHROBNSA-N 2 1 379.570 3.776 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000465513301 887653265 /nfs/dbraw/zinc/65/32/65/887653265.db2.gz IAJFOBQTZGQWPV-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809664828 887690075 /nfs/dbraw/zinc/69/00/75/887690075.db2.gz KSJIUBXFKLBZKO-GGPKGHCWSA-N 2 1 375.557 3.790 20 0 GHADMP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741100 887776442 /nfs/dbraw/zinc/77/64/42/887776442.db2.gz IOLZBUIIFKQSLS-QGZVFWFLSA-N 2 1 387.515 3.899 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1Cl ZINC000193850093 887786115 /nfs/dbraw/zinc/78/61/15/887786115.db2.gz BCUXUTYLSZGCNH-GOSISDBHSA-N 2 1 380.964 3.505 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404341 913189073 /nfs/dbraw/zinc/18/90/73/913189073.db2.gz GODPDJLVQPXRGY-LMNJBCLMSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404341 913189077 /nfs/dbraw/zinc/18/90/77/913189077.db2.gz GODPDJLVQPXRGY-LMNJBCLMSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404341 913189084 /nfs/dbraw/zinc/18/90/84/913189084.db2.gz GODPDJLVQPXRGY-LMNJBCLMSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001131900839 887888226 /nfs/dbraw/zinc/88/82/26/887888226.db2.gz KYROLYAHOUKPJU-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698689 888031888 /nfs/dbraw/zinc/03/18/88/888031888.db2.gz PDMGCSNKZCUFCX-SIKLNZKXSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698689 888031900 /nfs/dbraw/zinc/03/19/00/888031900.db2.gz PDMGCSNKZCUFCX-SIKLNZKXSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054698689 888031908 /nfs/dbraw/zinc/03/19/08/888031908.db2.gz PDMGCSNKZCUFCX-SIKLNZKXSA-N 2 1 386.584 3.584 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184408861 913207237 /nfs/dbraw/zinc/20/72/37/913207237.db2.gz XTLNKZRBZJYVRU-HOJAQTOUSA-N 2 1 377.960 3.541 20 0 GHADMP O[C@@H](C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)c3ccccc3)C2)C1)c1ccccc1 ZINC000810054476 888102917 /nfs/dbraw/zinc/10/29/17/888102917.db2.gz UUOSCFGOIXTWQZ-DSNGMDLFSA-N 2 1 394.559 3.632 20 0 GHADMP O[C@@H](C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H](O)c3ccccc3)C2)C1)c1ccccc1 ZINC000810054476 888102927 /nfs/dbraw/zinc/10/29/27/888102927.db2.gz UUOSCFGOIXTWQZ-DSNGMDLFSA-N 2 1 394.559 3.632 20 0 GHADMP O[C@@H](C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H](O)c3ccccc3)C2)C1)c1ccccc1 ZINC000810054476 888102934 /nfs/dbraw/zinc/10/29/34/888102934.db2.gz UUOSCFGOIXTWQZ-DSNGMDLFSA-N 2 1 394.559 3.632 20 0 GHADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001170601264 888349644 /nfs/dbraw/zinc/34/96/44/888349644.db2.gz YHIXGNLCSIFIME-YTFSRNRJSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001170601264 888349658 /nfs/dbraw/zinc/34/96/58/888349658.db2.gz YHIXGNLCSIFIME-YTFSRNRJSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001170601264 888349673 /nfs/dbraw/zinc/34/96/73/888349673.db2.gz YHIXGNLCSIFIME-YTFSRNRJSA-N 2 1 379.633 3.996 20 0 GHADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000532783941 888939133 /nfs/dbraw/zinc/93/91/33/888939133.db2.gz VURKWLQAFDOUCA-QGZVFWFLSA-N 2 1 383.355 3.580 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868184290 889340359 /nfs/dbraw/zinc/34/03/59/889340359.db2.gz LYBFHKIFUNVOKZ-ZJMJOCHXSA-N 2 1 378.520 3.533 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454594026 889348154 /nfs/dbraw/zinc/34/81/54/889348154.db2.gz AGLIJAQCSLIHRS-FQEVSTJZSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644531068 913342073 /nfs/dbraw/zinc/34/20/73/913342073.db2.gz YQPSHGKFAUDYDW-PKTZIBPZSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644530608 913345761 /nfs/dbraw/zinc/34/57/61/913345761.db2.gz KPMPLAFLOZMFKJ-DHIUTWEWSA-N 2 1 382.548 3.545 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245735452 889565194 /nfs/dbraw/zinc/56/51/94/889565194.db2.gz QTSLONQOHMHEJX-JOZNFPNDSA-N 2 1 377.532 3.973 20 0 GHADMP COc1ccc2oc(C[NH2+]Cc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)cc2c1 ZINC000124273544 889572247 /nfs/dbraw/zinc/57/22/47/889572247.db2.gz XPSNSHDNWQQWRT-QGZVFWFLSA-N 2 1 380.488 3.952 20 0 GHADMP COc1ccc2oc(C[NH2+]Cc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)cc2c1 ZINC000124273544 889572266 /nfs/dbraw/zinc/57/22/66/889572266.db2.gz XPSNSHDNWQQWRT-QGZVFWFLSA-N 2 1 380.488 3.952 20 0 GHADMP CCOc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000644569837 913372738 /nfs/dbraw/zinc/37/27/38/913372738.db2.gz FGOJYKQLEUSWHZ-SIKLNZKXSA-N 2 1 398.547 3.640 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c(C)c1 ZINC000125034915 889853828 /nfs/dbraw/zinc/85/38/28/889853828.db2.gz KUJPQDGALAKZGY-HXUWFJFHSA-N 2 1 395.547 3.815 20 0 GHADMP CC1(C)C(=O)N(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[C@H]1C1CC1 ZINC000811762401 889971839 /nfs/dbraw/zinc/97/18/39/889971839.db2.gz YQDKJZCUXILRJX-NRFANRHFSA-N 2 1 381.564 3.579 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001133140646 890287438 /nfs/dbraw/zinc/28/74/38/890287438.db2.gz GNYIWQYYOZUCGV-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000455110963 890363294 /nfs/dbraw/zinc/36/32/94/890363294.db2.gz GMYBIPMLBDOLNU-AZUAARDMSA-N 2 1 392.613 3.696 20 0 GHADMP CSc1ccc(Br)cc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000897515037 890400616 /nfs/dbraw/zinc/40/06/16/890400616.db2.gz HTIMELAGOZBEPH-KRWDZBQOSA-N 2 1 399.398 3.556 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870912402 890574868 /nfs/dbraw/zinc/57/48/68/890574868.db2.gz HNFKEIVGQZVCSM-ALQDCCJHSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870912402 890574875 /nfs/dbraw/zinc/57/48/75/890574875.db2.gz HNFKEIVGQZVCSM-ALQDCCJHSA-N 2 1 381.923 3.637 20 0 GHADMP [NH3+][C@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000870927662 890578200 /nfs/dbraw/zinc/57/82/00/890578200.db2.gz ADQWTDPPNZNAFB-CZIWCDLHSA-N 2 1 384.351 3.592 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000455231311 890610863 /nfs/dbraw/zinc/61/08/63/890610863.db2.gz QZDPKFJDSISRRO-UHFFFAOYSA-N 2 1 394.563 3.967 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCSc4ccc(F)cc43)cc2)CC1 ZINC000126646957 890628432 /nfs/dbraw/zinc/62/84/32/890628432.db2.gz UOJMOXNEMDYIPE-OAQYLSRUSA-N 2 1 385.552 3.900 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126735794 890670397 /nfs/dbraw/zinc/67/03/97/890670397.db2.gz LJOCZIUIYMKGST-DEOSSOPVSA-N 2 1 379.548 3.610 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000066960749 891124288 /nfs/dbraw/zinc/12/42/88/891124288.db2.gz APCZRBABVJCTPV-RBUKOAKNSA-N 2 1 389.584 3.705 20 0 GHADMP [NH3+]C1(Cc2nc(-c3cnc4ccccc4c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872172501 891197275 /nfs/dbraw/zinc/19/72/75/891197275.db2.gz AEFRGLQYICUWDP-UHFFFAOYSA-N 2 1 399.498 3.821 20 0 GHADMP Cc1ccc(Cc2noc(CC3([NH3+])CC[NH+](Cc4ccccc4)CC3)n2)s1 ZINC000872182185 891204546 /nfs/dbraw/zinc/20/45/46/891204546.db2.gz HMKNUVJVXRHXRY-UHFFFAOYSA-N 2 1 382.533 3.566 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000533702419 891218298 /nfs/dbraw/zinc/21/82/98/891218298.db2.gz VGXRJEWTSYLVAA-FQEVSTJZSA-N 2 1 377.617 3.858 20 0 GHADMP CCCCn1c(=S)n(CN2CC[N@@H+](C)C(C)(C)CC2)nc1[C@@H](CC)[NH+](C)C ZINC000872694193 891305074 /nfs/dbraw/zinc/30/50/74/891305074.db2.gz JAJUDQBBTDDPJJ-QGZVFWFLSA-N 2 1 396.649 3.600 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)[nH+]1 ZINC000128104010 891417017 /nfs/dbraw/zinc/41/70/17/891417017.db2.gz XRHATGDRUJCTNB-MRXNPFEDSA-N 2 1 378.520 3.939 20 0 GHADMP O=C(c1ccccc1C(F)(F)F)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000248551645 891427493 /nfs/dbraw/zinc/42/74/93/891427493.db2.gz ISKDYJQMVVYWAP-IRXDYDNUSA-N 2 1 395.469 3.526 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cnn(Cc4ccccc4)c3)CC2)[nH+]1 ZINC000128208905 891482162 /nfs/dbraw/zinc/48/21/62/891482162.db2.gz ZWNKSVWPSOWFJO-LJQANCHMSA-N 2 1 375.520 3.954 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC000873169006 891495711 /nfs/dbraw/zinc/49/57/11/891495711.db2.gz JIWVUHWZAJVMDD-UHFFFAOYSA-N 2 1 387.833 3.984 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000873227553 891532585 /nfs/dbraw/zinc/53/25/85/891532585.db2.gz JDXAZJZTLURVMO-RISCZKNCSA-N 2 1 392.347 3.665 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000873227553 891532591 /nfs/dbraw/zinc/53/25/91/891532591.db2.gz JDXAZJZTLURVMO-RISCZKNCSA-N 2 1 392.347 3.665 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1cc(Cl)sc1Cl ZINC000873247580 891548210 /nfs/dbraw/zinc/54/82/10/891548210.db2.gz PUNVCUAXLSJDEC-SNVBAGLBSA-N 2 1 382.320 3.945 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([NH2+][C@@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)CC1 ZINC001170710537 891863075 /nfs/dbraw/zinc/86/30/75/891863075.db2.gz FSEAUCBKFWVFCU-VJDPLVQDSA-N 2 1 391.600 3.875 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566237 891904616 /nfs/dbraw/zinc/90/46/16/891904616.db2.gz OAKSSEWJUBXANZ-HSZRJFAPSA-N 2 1 398.595 3.605 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC1)C2 ZINC001168272348 891914527 /nfs/dbraw/zinc/91/45/27/891914527.db2.gz LKBJPLSDIRYSNZ-JOCHJYFZSA-N 2 1 391.559 3.934 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261794671 892120082 /nfs/dbraw/zinc/12/00/82/892120082.db2.gz IMTIIVKJPXZFIW-NZQKXSOJSA-N 2 1 393.531 3.559 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497851172 892551728 /nfs/dbraw/zinc/55/17/28/892551728.db2.gz FAWWXORVEGJQBF-HSZRJFAPSA-N 2 1 378.520 3.534 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645106066 913677414 /nfs/dbraw/zinc/67/74/14/913677414.db2.gz GIFJGNMWHVUTLI-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696259 892656223 /nfs/dbraw/zinc/65/62/23/892656223.db2.gz HBLRSWHUQRBFLJ-ZJSXRUAMSA-N 2 1 393.575 3.884 20 0 GHADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497905882 892701610 /nfs/dbraw/zinc/70/16/10/892701610.db2.gz AUTDOUPEHQZMEA-KSSFIOAISA-N 2 1 385.474 3.502 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)ncn1 ZINC000508708600 892775060 /nfs/dbraw/zinc/77/50/60/892775060.db2.gz CUHTYEWFWPTGJM-WPYKKVEZSA-N 2 1 393.579 3.508 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000455618278 892799968 /nfs/dbraw/zinc/79/99/68/892799968.db2.gz PXMABHMNRALLBB-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@@H+]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000747953069 892923831 /nfs/dbraw/zinc/92/38/31/892923831.db2.gz GOBKWCGLOHEWPL-QFIPXVFZSA-N 2 1 386.584 3.731 20 0 GHADMP C[N@H+]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000747953069 892923842 /nfs/dbraw/zinc/92/38/42/892923842.db2.gz GOBKWCGLOHEWPL-QFIPXVFZSA-N 2 1 386.584 3.731 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721007 892973091 /nfs/dbraw/zinc/97/30/91/892973091.db2.gz OGQCKBYFYAERCM-SQJMNOBHSA-N 2 1 393.575 3.519 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000129067820 892978509 /nfs/dbraw/zinc/97/85/09/892978509.db2.gz WPJWSJOYOKOXGL-DNVCBOLYSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)c3ccccc3C)cc2)CC1 ZINC000918024150 892991688 /nfs/dbraw/zinc/99/16/88/892991688.db2.gz XAGNWQKZDXHIRU-FQEVSTJZSA-N 2 1 394.563 3.768 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000069160489 893176190 /nfs/dbraw/zinc/17/61/90/893176190.db2.gz VAFMPMOLHPHKEY-IBGZPJMESA-N 2 1 387.524 3.701 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000918122456 893201441 /nfs/dbraw/zinc/20/14/41/893201441.db2.gz RPUVXHUTYMAUQG-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000918122452 893201525 /nfs/dbraw/zinc/20/15/25/893201525.db2.gz RPUVXHUTYMAUQG-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000918122454 893202224 /nfs/dbraw/zinc/20/22/24/893202224.db2.gz RPUVXHUTYMAUQG-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000562976170 893238038 /nfs/dbraw/zinc/23/80/38/893238038.db2.gz XLMRHZHQHPJZAD-ZRBLBEILSA-N 2 1 377.532 3.518 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000876906618 893381010 /nfs/dbraw/zinc/38/10/10/893381010.db2.gz DFEXZAALPOTQKA-UGKGYDQZSA-N 2 1 399.560 3.516 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000876906618 893381028 /nfs/dbraw/zinc/38/10/28/893381028.db2.gz DFEXZAALPOTQKA-UGKGYDQZSA-N 2 1 399.560 3.516 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000459393147 893449034 /nfs/dbraw/zinc/44/90/34/893449034.db2.gz VKOYCIYRWVZIFV-WOJBJXKFSA-N 2 1 399.604 3.975 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000459393147 893449043 /nfs/dbraw/zinc/44/90/43/893449043.db2.gz VKOYCIYRWVZIFV-WOJBJXKFSA-N 2 1 399.604 3.975 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000536659779 893465363 /nfs/dbraw/zinc/46/53/63/893465363.db2.gz WYIIQRRMKZRTGZ-PKTZIBPZSA-N 2 1 384.612 3.666 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@@H](C)C1 ZINC000459411036 893472572 /nfs/dbraw/zinc/47/25/72/893472572.db2.gz IOKLWLUMBRYSBP-YJBOKZPZSA-N 2 1 390.597 3.808 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@@H](C)C1 ZINC000459411036 893472582 /nfs/dbraw/zinc/47/25/82/893472582.db2.gz IOKLWLUMBRYSBP-YJBOKZPZSA-N 2 1 390.597 3.808 20 0 GHADMP Cc1ccccc1[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000934279241 893520635 /nfs/dbraw/zinc/52/06/35/893520635.db2.gz ALQXZLJFFVNGQS-FQEVSTJZSA-N 2 1 385.596 3.753 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cnc4ccc(Cl)cn34)CC2)C[C@H](C)O1 ZINC000536710047 893617571 /nfs/dbraw/zinc/61/75/71/893617571.db2.gz JEHCXXGETVPHSU-IRXDYDNUSA-N 2 1 390.959 3.699 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2CN(C)Cc2ccco2)C[C@H]1C ZINC000498229347 893660920 /nfs/dbraw/zinc/66/09/20/893660920.db2.gz WBHDWMGNMDTVIE-MOPGFXCFSA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@H]1C ZINC000498229347 893660926 /nfs/dbraw/zinc/66/09/26/893660926.db2.gz WBHDWMGNMDTVIE-MOPGFXCFSA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@H]1C ZINC000498229347 893660928 /nfs/dbraw/zinc/66/09/28/893660928.db2.gz WBHDWMGNMDTVIE-MOPGFXCFSA-N 2 1 398.551 3.536 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1C ZINC000498229347 893660933 /nfs/dbraw/zinc/66/09/33/893660933.db2.gz WBHDWMGNMDTVIE-MOPGFXCFSA-N 2 1 398.551 3.536 20 0 GHADMP FCCn1ncnc1C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459518664 893689038 /nfs/dbraw/zinc/68/90/38/893689038.db2.gz GJBBZNMAJBWHTM-QFIPXVFZSA-N 2 1 399.558 3.904 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C4CC4)cc3F)CC2)CC1 ZINC000563403168 893693642 /nfs/dbraw/zinc/69/36/42/893693642.db2.gz WHTUAAVCPKGWBP-UHFFFAOYSA-N 2 1 387.543 3.516 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H]1c1cccs1 ZINC000563499092 893830267 /nfs/dbraw/zinc/83/02/67/893830267.db2.gz MEBVDHNQKYDCIT-OXJNMPFZSA-N 2 1 384.549 3.598 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686222331 893852552 /nfs/dbraw/zinc/85/25/52/893852552.db2.gz ZUAOHOXNFBQRSG-QUCCMNQESA-N 2 1 387.568 3.744 20 0 GHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000536852555 893936460 /nfs/dbraw/zinc/93/64/60/893936460.db2.gz NWXCGNNHFBYCKP-JVPBZIDWSA-N 2 1 386.565 3.542 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878039689 893972140 /nfs/dbraw/zinc/97/21/40/893972140.db2.gz CIQJCVZSIINUOM-HSZRJFAPSA-N 2 1 386.580 3.806 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2nnc(-c3ccccc3O)o2)CC1 ZINC000878041624 893973744 /nfs/dbraw/zinc/97/37/44/893973744.db2.gz WFIWRQCMKVVYSK-UHFFFAOYSA-N 2 1 392.503 3.786 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160140 894060912 /nfs/dbraw/zinc/06/09/12/894060912.db2.gz HCUQIUVZDWJGJC-DHIUTWEWSA-N 2 1 384.564 3.703 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160140 894060929 /nfs/dbraw/zinc/06/09/29/894060929.db2.gz HCUQIUVZDWJGJC-DHIUTWEWSA-N 2 1 384.564 3.703 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160140 894060947 /nfs/dbraw/zinc/06/09/47/894060947.db2.gz HCUQIUVZDWJGJC-DHIUTWEWSA-N 2 1 384.564 3.703 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000536999633 894204933 /nfs/dbraw/zinc/20/49/33/894204933.db2.gz VMDVYWVQGHULFK-HXUWFJFHSA-N 2 1 394.401 3.763 20 0 GHADMP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCN1Cc1ccccc1 ZINC000645383311 913865745 /nfs/dbraw/zinc/86/57/45/913865745.db2.gz MVAYKUKULSPGJK-BWKNWUBXSA-N 2 1 393.575 3.662 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001135451353 894606991 /nfs/dbraw/zinc/60/69/91/894606991.db2.gz RVPXIPDCGNDBSZ-JOCHJYFZSA-N 2 1 383.580 3.956 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001135451353 894606998 /nfs/dbraw/zinc/60/69/98/894606998.db2.gz RVPXIPDCGNDBSZ-JOCHJYFZSA-N 2 1 383.580 3.956 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c2cccs2)CC1 ZINC001135475395 894627729 /nfs/dbraw/zinc/62/77/29/894627729.db2.gz ZFSSROCBKXSMCC-CEXWTWQISA-N 2 1 375.582 3.654 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892388 894703720 /nfs/dbraw/zinc/70/37/20/894703720.db2.gz VQCGJLSDOZXFBK-JTKSJCOOSA-N 2 1 396.575 3.557 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892388 894703725 /nfs/dbraw/zinc/70/37/25/894703725.db2.gz VQCGJLSDOZXFBK-JTKSJCOOSA-N 2 1 396.575 3.557 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892388 894703741 /nfs/dbraw/zinc/70/37/41/894703741.db2.gz VQCGJLSDOZXFBK-JTKSJCOOSA-N 2 1 396.575 3.557 20 0 GHADMP Cn1c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2oc1=O ZINC000816567901 894948540 /nfs/dbraw/zinc/94/85/40/894948540.db2.gz OZBMVNNLNMDZQX-NJDAHSKKSA-N 2 1 391.515 3.522 20 0 GHADMP COC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000564424134 894966554 /nfs/dbraw/zinc/96/65/54/894966554.db2.gz PRCWJABXURYYDV-RBUKOAKNSA-N 2 1 393.984 3.667 20 0 GHADMP Cn1c2ccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2oc1=O ZINC000816619452 894978876 /nfs/dbraw/zinc/97/88/76/894978876.db2.gz HFWYXPIBOQQWEU-UHFFFAOYSA-N 2 1 391.515 3.620 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001137149675 895529415 /nfs/dbraw/zinc/52/94/15/895529415.db2.gz DGJQMRGHZDZUOF-QFIPXVFZSA-N 2 1 389.559 3.664 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001137149675 895529425 /nfs/dbraw/zinc/52/94/25/895529425.db2.gz DGJQMRGHZDZUOF-QFIPXVFZSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000566109877 896115518 /nfs/dbraw/zinc/11/55/18/896115518.db2.gz DOXYMWLNLAHKJQ-JXFKEZNVSA-N 2 1 387.474 3.936 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000566109877 896115527 /nfs/dbraw/zinc/11/55/27/896115527.db2.gz DOXYMWLNLAHKJQ-JXFKEZNVSA-N 2 1 387.474 3.936 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC001136146855 896173272 /nfs/dbraw/zinc/17/32/72/896173272.db2.gz LJDCXLFQTDSKDJ-PKTZIBPZSA-N 2 1 385.596 3.568 20 0 GHADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289118156 914041681 /nfs/dbraw/zinc/04/16/81/914041681.db2.gz DGZDIUJCCQWUFU-WQJYWUQFSA-N 2 1 382.552 3.794 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000566229948 896192478 /nfs/dbraw/zinc/19/24/78/896192478.db2.gz VQALEFIAVWHTHN-PZJWPPBQSA-N 2 1 387.531 3.756 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3scnc3-c3ccccc3)CC2)CC1 ZINC000566437654 896312772 /nfs/dbraw/zinc/31/27/72/896312772.db2.gz RHWLVPYUTRQHQL-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000566456702 896324098 /nfs/dbraw/zinc/32/40/98/896324098.db2.gz HPBLMAQARKRLOX-LEWJYISDSA-N 2 1 389.971 3.508 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3ccc(F)c(F)c3)CC2)cs1 ZINC000819048979 896341047 /nfs/dbraw/zinc/34/10/47/896341047.db2.gz FFIHTISGJCTBDO-LJQANCHMSA-N 2 1 395.519 3.519 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000566530439 896358740 /nfs/dbraw/zinc/35/87/40/896358740.db2.gz SCLGZRVNRMAXFR-SDXDJHTJSA-N 2 1 381.486 3.822 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566578882 896390650 /nfs/dbraw/zinc/39/06/50/896390650.db2.gz GFESDFWFUKIPEB-JQVVWYNYSA-N 2 1 375.520 3.829 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819183162 896452424 /nfs/dbraw/zinc/45/24/24/896452424.db2.gz UKRJNVJOWCOFLW-KDOFPFPSSA-N 2 1 387.337 3.579 20 0 GHADMP Cc1ccc([C@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333855 896577595 /nfs/dbraw/zinc/57/75/95/896577595.db2.gz RGUJTVJFPVVIPI-DNQXCXABSA-N 2 1 394.559 3.547 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000567103533 896876816 /nfs/dbraw/zinc/87/68/16/896876816.db2.gz HSCLOFXYHOWQBN-QFZRFWILSA-N 2 1 394.559 3.536 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000567176552 896940114 /nfs/dbraw/zinc/94/01/14/896940114.db2.gz IHMBRZLMAUSPJT-INIZCTEOSA-N 2 1 393.522 3.681 20 0 GHADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCOCC2)cc1 ZINC000883189435 897354770 /nfs/dbraw/zinc/35/47/70/897354770.db2.gz HAGZUYNVTVIAIR-VXKWHMMOSA-N 2 1 376.516 3.526 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001136348875 897372058 /nfs/dbraw/zinc/37/20/58/897372058.db2.gz YAULOBZRPWRKCL-JOCHJYFZSA-N 2 1 385.596 3.930 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000567986996 897524678 /nfs/dbraw/zinc/52/46/78/897524678.db2.gz LQJOKCAIKDTMRY-PXNSSMCTSA-N 2 1 375.900 3.713 20 0 GHADMP CNC(=O)c1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000820808510 897536927 /nfs/dbraw/zinc/53/69/27/897536927.db2.gz HTLKJZHTMVGYRR-NOTZXAQLSA-N 2 1 377.532 3.722 20 0 GHADMP CNC(=O)c1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000820808510 897536934 /nfs/dbraw/zinc/53/69/34/897536934.db2.gz HTLKJZHTMVGYRR-NOTZXAQLSA-N 2 1 377.532 3.722 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000131920958 897609980 /nfs/dbraw/zinc/60/99/80/897609980.db2.gz RBGJONQJWFWQOC-DLBZAZTESA-N 2 1 379.570 3.559 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000131920958 897609987 /nfs/dbraw/zinc/60/99/87/897609987.db2.gz RBGJONQJWFWQOC-DLBZAZTESA-N 2 1 379.570 3.559 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CN(c2ccccc2)CCO1 ZINC000568166897 897650383 /nfs/dbraw/zinc/65/03/83/897650383.db2.gz WOWLBHDMSHMPOW-DEOSSOPVSA-N 2 1 394.563 3.525 20 0 GHADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000568511972 897899075 /nfs/dbraw/zinc/89/90/75/897899075.db2.gz DCPCKBXYASYCRM-WMZOPIPTSA-N 2 1 390.597 3.519 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCCOc3ccccc3C(F)(F)F)C2)CC1 ZINC000107369332 898330053 /nfs/dbraw/zinc/33/00/53/898330053.db2.gz MKRLBIIRQZRLKV-SFHVURJKSA-N 2 1 399.501 3.576 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000569694035 898891111 /nfs/dbraw/zinc/89/11/11/898891111.db2.gz GWJZDQOFNYNRIO-GCJKJVERSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490128 899061201 /nfs/dbraw/zinc/06/12/01/899061201.db2.gz VGUADEAEXYLYNX-ANTGDGSKSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490128 899061215 /nfs/dbraw/zinc/06/12/15/899061215.db2.gz VGUADEAEXYLYNX-ANTGDGSKSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490128 899061232 /nfs/dbraw/zinc/06/12/32/899061232.db2.gz VGUADEAEXYLYNX-ANTGDGSKSA-N 2 1 391.600 3.971 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823490128 899061242 /nfs/dbraw/zinc/06/12/42/899061242.db2.gz VGUADEAEXYLYNX-ANTGDGSKSA-N 2 1 391.600 3.971 20 0 GHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000331689379 899084730 /nfs/dbraw/zinc/08/47/30/899084730.db2.gz AZWVRXNFGVOQME-PXAZEXFGSA-N 2 1 398.320 3.802 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000331689379 899084746 /nfs/dbraw/zinc/08/47/46/899084746.db2.gz AZWVRXNFGVOQME-PXAZEXFGSA-N 2 1 398.320 3.802 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823649526 899159144 /nfs/dbraw/zinc/15/91/44/899159144.db2.gz FLFPJSREXGBHNC-KRWDZBQOSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823649526 899159148 /nfs/dbraw/zinc/15/91/48/899159148.db2.gz FLFPJSREXGBHNC-KRWDZBQOSA-N 2 1 376.545 3.693 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171023185 899177697 /nfs/dbraw/zinc/17/76/97/899177697.db2.gz UIXFKPFLWSDQAW-QTEQDKRBSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171023185 899177710 /nfs/dbraw/zinc/17/77/10/899177710.db2.gz UIXFKPFLWSDQAW-QTEQDKRBSA-N 2 1 384.951 3.670 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)NCc2c[nH+]c3n2CCCC3)CCCC1)c1ccccc1 ZINC000570304784 899252266 /nfs/dbraw/zinc/25/22/66/899252266.db2.gz HNAAFTIADDXMHO-GOSISDBHSA-N 2 1 395.551 3.682 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC000823965921 899317876 /nfs/dbraw/zinc/31/78/76/899317876.db2.gz DEFIIBFTDQLNSY-QUFILJBYSA-N 2 1 399.579 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC000823965921 899317890 /nfs/dbraw/zinc/31/78/90/899317890.db2.gz DEFIIBFTDQLNSY-QUFILJBYSA-N 2 1 399.579 3.886 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]c(C(=O)OCc4ccccc4)c3)C2)CC1 ZINC000824389979 899579114 /nfs/dbraw/zinc/57/91/14/899579114.db2.gz YCAYDOMKPVQYDX-OAQYLSRUSA-N 2 1 381.520 3.535 20 0 GHADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000570919187 899681881 /nfs/dbraw/zinc/68/18/81/899681881.db2.gz HFXIXUCLVSTICD-STECZYCISA-N 2 1 375.513 3.669 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554011 899684906 /nfs/dbraw/zinc/68/49/06/899684906.db2.gz LPFARMLGTFZOAS-ZIPUMODLSA-N 2 1 388.519 3.713 20 0 GHADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000824913731 899873916 /nfs/dbraw/zinc/87/39/16/899873916.db2.gz YEUKNCUGRUVFPY-UHFFFAOYSA-N 2 1 385.512 3.535 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cs2)cc1 ZINC000571623033 899929182 /nfs/dbraw/zinc/92/91/82/899929182.db2.gz CCVGKGUUAOXWPF-VQTJNVASSA-N 2 1 387.549 3.537 20 0 GHADMP COC(=O)c1oc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1C ZINC000825033437 899945435 /nfs/dbraw/zinc/94/54/35/899945435.db2.gz NQOAWYBEMRKZSP-UHFFFAOYSA-N 2 1 385.508 3.765 20 0 GHADMP CSC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](C)CC1 ZINC000571695227 899947466 /nfs/dbraw/zinc/94/74/66/899947466.db2.gz SKAHKFUDIODXJB-BHIFYINESA-N 3 1 387.637 3.704 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)nc2)[C@@H](C)C1 ZINC000289883180 914401302 /nfs/dbraw/zinc/40/13/02/914401302.db2.gz STDCTWGGFXDPQV-UXLLHSPISA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)nc2)[C@@H](C)C1 ZINC000289883180 914401309 /nfs/dbraw/zinc/40/13/09/914401309.db2.gz STDCTWGGFXDPQV-UXLLHSPISA-N 2 1 384.362 3.632 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000134904974 900143338 /nfs/dbraw/zinc/14/33/38/900143338.db2.gz MYIOQYUAXWQNMI-UYAOXDASSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134904974 900143345 /nfs/dbraw/zinc/14/33/45/900143345.db2.gz MYIOQYUAXWQNMI-UYAOXDASSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134904974 900143356 /nfs/dbraw/zinc/14/33/56/900143356.db2.gz MYIOQYUAXWQNMI-UYAOXDASSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134904974 900143361 /nfs/dbraw/zinc/14/33/61/900143361.db2.gz MYIOQYUAXWQNMI-UYAOXDASSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134904974 900143370 /nfs/dbraw/zinc/14/33/70/900143370.db2.gz MYIOQYUAXWQNMI-UYAOXDASSA-N 2 1 377.573 3.582 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCc3ccc(Cl)cc3)CC2)CC1 ZINC000572421487 900178526 /nfs/dbraw/zinc/17/85/26/900178526.db2.gz AHKMHYWGDAKBBP-UHFFFAOYSA-N 2 1 391.987 3.537 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572518603 900213640 /nfs/dbraw/zinc/21/36/40/900213640.db2.gz YIYYEEFLMIBJDI-HUXIJIEQSA-N 2 1 395.950 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572518603 900213655 /nfs/dbraw/zinc/21/36/55/900213655.db2.gz YIYYEEFLMIBJDI-HUXIJIEQSA-N 2 1 395.950 3.756 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C)[NH3+] ZINC000572839384 900288306 /nfs/dbraw/zinc/28/83/06/900288306.db2.gz KLHAZEZMXIQDJR-XIVBQZFQSA-N 2 1 399.501 3.824 20 0 GHADMP CN(C)c1nccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000573269000 900435405 /nfs/dbraw/zinc/43/54/05/900435405.db2.gz PULOQFKVDZBROD-QNKZKCNHSA-N 2 1 399.970 3.900 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CCC4(CC3)OCCO4)C2)s1 ZINC000844328230 900733725 /nfs/dbraw/zinc/73/37/25/900733725.db2.gz WYHGZASOEBDNBI-LJQANCHMSA-N 2 1 378.582 3.744 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CCC4(CC3)OCCO4)C2)s1 ZINC000844328230 900733730 /nfs/dbraw/zinc/73/37/30/900733730.db2.gz WYHGZASOEBDNBI-LJQANCHMSA-N 2 1 378.582 3.744 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CCC4(CC3)OCCO4)C2)s1 ZINC000844328230 900733736 /nfs/dbraw/zinc/73/37/36/900733736.db2.gz WYHGZASOEBDNBI-LJQANCHMSA-N 2 1 378.582 3.744 20 0 GHADMP COc1ccc(-c2ncc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)s2)cc1OC ZINC001144057490 901029216 /nfs/dbraw/zinc/02/92/16/901029216.db2.gz FBOIIYJTIVQZJZ-UHFFFAOYSA-N 2 1 396.516 3.545 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886522369 901118449 /nfs/dbraw/zinc/11/84/49/901118449.db2.gz HUIUMLDIMMNAQY-QTJGBDASSA-N 2 1 377.532 3.830 20 0 GHADMP CCc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc(CC)c1O ZINC001144141359 901119657 /nfs/dbraw/zinc/11/96/57/901119657.db2.gz FSFVWOIZJXTNIX-UPVQGACJSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc(CC)c1O ZINC001144141359 901119666 /nfs/dbraw/zinc/11/96/66/901119666.db2.gz FSFVWOIZJXTNIX-UPVQGACJSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)cc(CC)c1O ZINC001144141359 901119676 /nfs/dbraw/zinc/11/96/76/901119676.db2.gz FSFVWOIZJXTNIX-UPVQGACJSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)cc(CC)c1O ZINC001144141359 901119684 /nfs/dbraw/zinc/11/96/84/901119684.db2.gz FSFVWOIZJXTNIX-UPVQGACJSA-N 2 1 386.580 3.697 20 0 GHADMP CC(C)(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]([NH3+])c1ccccc1 ZINC000575120003 901124408 /nfs/dbraw/zinc/12/44/08/901124408.db2.gz GOFLSRITEMCPKY-YLJYHZDGSA-N 2 1 385.577 3.803 20 0 GHADMP Cc1nc2ccc(C[NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)cc2s1 ZINC000575188479 901153941 /nfs/dbraw/zinc/15/39/41/901153941.db2.gz FFJIUPOHVAQOLW-GOSISDBHSA-N 2 1 386.590 3.745 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000575248961 901181114 /nfs/dbraw/zinc/18/11/14/901181114.db2.gz ZDAMOQNZZLZYNK-DYESRHJHSA-N 2 1 388.939 3.895 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1)N1CCCCC1 ZINC000886605333 901185978 /nfs/dbraw/zinc/18/59/78/901185978.db2.gz OEBOUCFYHYGGAD-QOXFPCGXSA-N 2 1 395.591 3.810 20 0 GHADMP Cc1[nH]c(C2CC[NH+]([C@H]3CCN([C@H](C)c4ccc(F)cc4)C3=O)CC2)[nH+]c1C ZINC000886660941 901212380 /nfs/dbraw/zinc/21/23/80/901212380.db2.gz IPKPSTPCYXBFIS-UZLBHIALSA-N 2 1 384.499 3.707 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(F)cc3Cl)CC2)CC1 ZINC000576051282 901620231 /nfs/dbraw/zinc/62/02/31/901620231.db2.gz CFUCBIRMPXYACM-OAHLLOKOSA-N 2 1 395.950 3.853 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001144323112 901738467 /nfs/dbraw/zinc/73/84/67/901738467.db2.gz PNFGVZHEWDDZSR-UHFFFAOYSA-N 2 1 379.548 3.759 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171161558 901778783 /nfs/dbraw/zinc/77/87/83/901778783.db2.gz MKUBBRKJWNCEJA-LSTHTHJFSA-N 2 1 382.379 3.561 20 0 GHADMP C[NH+](C)Cc1ccc(-c2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)cc1 ZINC000576192220 901784388 /nfs/dbraw/zinc/78/43/88/901784388.db2.gz VQYFTFAZQAEJAR-UHFFFAOYSA-N 2 1 396.401 3.984 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001144334657 901792182 /nfs/dbraw/zinc/79/21/82/901792182.db2.gz XEXUOTDAAJOXKR-UHFFFAOYSA-N 2 1 381.520 3.680 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001144343795 901840981 /nfs/dbraw/zinc/84/09/81/901840981.db2.gz SPTIGOUDHWYVLO-PMACEKPBSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001144343795 901840986 /nfs/dbraw/zinc/84/09/86/901840986.db2.gz SPTIGOUDHWYVLO-PMACEKPBSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001144343795 901840996 /nfs/dbraw/zinc/84/09/96/901840996.db2.gz SPTIGOUDHWYVLO-PMACEKPBSA-N 2 1 381.520 3.535 20 0 GHADMP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000576841655 902296116 /nfs/dbraw/zinc/29/61/16/902296116.db2.gz XJFSNPHFRDBPNN-ZQONDGBOSA-N 2 1 392.632 3.790 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCOc4cc(F)cc(F)c43)CC2)nc(C)[nH+]1 ZINC000333863899 902380488 /nfs/dbraw/zinc/38/04/88/902380488.db2.gz SHKSTPAGMSJPLG-GOSISDBHSA-N 2 1 388.462 3.844 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000290350027 914638060 /nfs/dbraw/zinc/63/80/60/914638060.db2.gz QAHKAISKEXONKQ-GOSISDBHSA-N 2 1 375.513 3.878 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000779021886 903036146 /nfs/dbraw/zinc/03/61/46/903036146.db2.gz ZTGYNYXTUWVQOO-NHCUHLMSSA-N 2 1 398.551 3.964 20 0 GHADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000577720698 903112460 /nfs/dbraw/zinc/11/24/60/903112460.db2.gz BKOUXNSDHLARSS-PZJWPPBQSA-N 2 1 379.479 3.865 20 0 GHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC000779025492 903122857 /nfs/dbraw/zinc/12/28/57/903122857.db2.gz SDDDPEHNLMKENW-QFBILLFUSA-N 2 1 383.458 3.711 20 0 GHADMP CC[N@@H+](CCCNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1)C1CCCCC1 ZINC000846687879 903137754 /nfs/dbraw/zinc/13/77/54/903137754.db2.gz JJSNSIKKVWQUTE-SFHVURJKSA-N 2 1 380.964 3.594 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000577849884 903268946 /nfs/dbraw/zinc/26/89/46/903268946.db2.gz LPBYRCJEAWGQID-HOTGVXAUSA-N 2 1 389.341 3.661 20 0 GHADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000577874927 903298357 /nfs/dbraw/zinc/29/83/57/903298357.db2.gz GVJWYWMTWFWQGV-ROUUACIJSA-N 2 1 375.582 3.933 20 0 GHADMP COc1cc(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)[nH+]cc1C ZINC001212835860 903463764 /nfs/dbraw/zinc/46/37/64/903463764.db2.gz FKFFUOZMENFDDP-UHFFFAOYSA-N 2 1 399.495 3.594 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000578040157 903466436 /nfs/dbraw/zinc/46/64/36/903466436.db2.gz IKVJMZXQOMYCIZ-FCEUIQTBSA-N 2 1 399.604 3.764 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001146875933 903639468 /nfs/dbraw/zinc/63/94/68/903639468.db2.gz GIBVSEZMSLOIMI-HXUWFJFHSA-N 2 1 379.548 3.503 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn2cc[nH+]c12 ZINC000578296975 903706957 /nfs/dbraw/zinc/70/69/57/903706957.db2.gz CQINAVQVVCROLU-MAUKXSAKSA-N 2 1 383.521 3.909 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn2cc[nH+]c12 ZINC000578296975 903706971 /nfs/dbraw/zinc/70/69/71/903706971.db2.gz CQINAVQVVCROLU-MAUKXSAKSA-N 2 1 383.521 3.909 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OCc1ccncc1 ZINC000290627240 914763454 /nfs/dbraw/zinc/76/34/54/914763454.db2.gz XSKNOVVXPJMKQA-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OCc1ccncc1 ZINC000290627240 914763467 /nfs/dbraw/zinc/76/34/67/914763467.db2.gz XSKNOVVXPJMKQA-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1OCc1ccncc1 ZINC000290627240 914763485 /nfs/dbraw/zinc/76/34/85/914763485.db2.gz XSKNOVVXPJMKQA-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001148164850 904000916 /nfs/dbraw/zinc/00/09/16/904000916.db2.gz HMTBHQGLPRZRHV-OFNKIYASSA-N 2 1 385.596 3.662 20 0 GHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151355067 904112294 /nfs/dbraw/zinc/11/22/94/904112294.db2.gz YVVIJWKXXNMKJO-CQSZACIVSA-N 2 1 377.529 3.755 20 0 GHADMP Cc1ccc(NCCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH+]c1 ZINC001148667327 904164293 /nfs/dbraw/zinc/16/42/93/904164293.db2.gz XEMLFHYUHINPQX-OAQYLSRUSA-N 2 1 392.547 3.611 20 0 GHADMP Cc1ccc(NCCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH+]c1 ZINC001148667327 904164300 /nfs/dbraw/zinc/16/43/00/904164300.db2.gz XEMLFHYUHINPQX-OAQYLSRUSA-N 2 1 392.547 3.611 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369746 904368528 /nfs/dbraw/zinc/36/85/28/904368528.db2.gz IHOFFNAODZVKLN-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369746 904368543 /nfs/dbraw/zinc/36/85/43/904368543.db2.gz IHOFFNAODZVKLN-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369746 904368556 /nfs/dbraw/zinc/36/85/56/904368556.db2.gz IHOFFNAODZVKLN-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369746 904368564 /nfs/dbraw/zinc/36/85/64/904368564.db2.gz IHOFFNAODZVKLN-KKLQWCBXSA-N 2 1 390.518 3.502 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000579225181 904441660 /nfs/dbraw/zinc/44/16/60/904441660.db2.gz SOFKIJPULWIWKO-ODMLGRRDSA-N 2 1 381.495 3.941 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000773117554 904443861 /nfs/dbraw/zinc/44/38/61/904443861.db2.gz KCEOFWRZZFDJGI-SESVDKBCSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000773117554 904443864 /nfs/dbraw/zinc/44/38/64/904443864.db2.gz KCEOFWRZZFDJGI-SESVDKBCSA-N 2 1 387.568 3.886 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc1 ZINC000773136918 904464532 /nfs/dbraw/zinc/46/45/32/904464532.db2.gz OCVRACRWKDDADZ-HSALFYBXSA-N 2 1 380.598 3.802 20 0 GHADMP CCCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889489720 904602547 /nfs/dbraw/zinc/60/25/47/904602547.db2.gz VQXVFPJPOKJNSK-OAQYLSRUSA-N 2 1 394.563 3.657 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)CC1 ZINC001171592996 904819474 /nfs/dbraw/zinc/81/94/74/904819474.db2.gz HUQQLZVWKMEQOT-OALUTQOASA-N 2 1 397.604 3.501 20 0 GHADMP Cc1ccc(CC[C@@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673996 904916140 /nfs/dbraw/zinc/91/61/40/904916140.db2.gz IMFYGCYORJPOSY-NQHRYMMQSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673996 904916149 /nfs/dbraw/zinc/91/61/49/904916149.db2.gz IMFYGCYORJPOSY-NQHRYMMQSA-N 2 1 393.575 3.934 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001171673996 904916155 /nfs/dbraw/zinc/91/61/55/904916155.db2.gz IMFYGCYORJPOSY-NQHRYMMQSA-N 2 1 393.575 3.934 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)CC1(C)C ZINC001171634496 904922040 /nfs/dbraw/zinc/92/20/40/904922040.db2.gz CBDGXQATATVTSM-UHFFFAOYSA-N 2 1 389.584 3.598 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)CC1(C)C ZINC001171634496 904922049 /nfs/dbraw/zinc/92/20/49/904922049.db2.gz CBDGXQATATVTSM-UHFFFAOYSA-N 2 1 389.584 3.598 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1(C)C ZINC001171638637 904927494 /nfs/dbraw/zinc/92/74/94/904927494.db2.gz YDZGEUSESFLPNG-WMZHIEFXSA-N 2 1 387.568 3.735 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])c2ccc(Br)cc2)C[N@H+]1Cc1ccccc1 ZINC001171731620 904958841 /nfs/dbraw/zinc/95/88/41/904958841.db2.gz CHJDBDYNDSCZBC-XPGWFJOJSA-N 2 1 388.353 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3[C@H](CC[NH+]3Cc3nccs3)C2)C[N@H+]1Cc1ccccc1 ZINC001171756167 904990249 /nfs/dbraw/zinc/99/02/49/904990249.db2.gz PEQXIZXLDFIUPO-PSWRPDDJSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3nccs3)C2)C[NH+]1Cc1ccccc1 ZINC001171756167 904990258 /nfs/dbraw/zinc/99/02/58/904990258.db2.gz PEQXIZXLDFIUPO-PSWRPDDJSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3[C@H](CC[N@H+]3Cc3nccs3)C2)C[NH+]1Cc1ccccc1 ZINC001171756167 904990275 /nfs/dbraw/zinc/99/02/75/904990275.db2.gz PEQXIZXLDFIUPO-PSWRPDDJSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([NH3+])(Cc3ccccc3F)CC2)C[N@H+]1Cc1ccccc1 ZINC001171739626 905025081 /nfs/dbraw/zinc/02/50/81/905025081.db2.gz QRBCOTVCICNBKG-DENIHFKCSA-N 2 1 381.539 3.825 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171739638 905025441 /nfs/dbraw/zinc/02/54/41/905025441.db2.gz QUFVBHKCXKIWQR-DENIHFKCSA-N 2 1 379.548 3.608 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967453 905175777 /nfs/dbraw/zinc/17/57/77/905175777.db2.gz ACOPMPFQJHVWAQ-MJGOQNOKSA-N 2 1 375.557 3.932 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001171927597 905183355 /nfs/dbraw/zinc/18/33/55/905183355.db2.gz RJJLQYYXOIEMJP-CTWPCTMYSA-N 2 1 394.600 3.899 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172002815 905211735 /nfs/dbraw/zinc/21/17/35/905211735.db2.gz CJCZPERTMYSFPH-IHPCNDPISA-N 2 1 375.944 3.565 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171968819 905215232 /nfs/dbraw/zinc/21/52/32/905215232.db2.gz RQIYIKWPRCFCRZ-FCHUYYIVSA-N 2 1 393.575 3.758 20 0 GHADMP CCc1ncnc2c1CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171980249 905231977 /nfs/dbraw/zinc/23/19/77/905231977.db2.gz JWFJJEIIEBAKBW-HXUWFJFHSA-N 2 1 378.564 3.883 20 0 GHADMP CCc1ncnc2c1CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171980249 905231991 /nfs/dbraw/zinc/23/19/91/905231991.db2.gz JWFJJEIIEBAKBW-HXUWFJFHSA-N 2 1 378.564 3.883 20 0 GHADMP CCc1ncnc2c1CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171980249 905232008 /nfs/dbraw/zinc/23/20/08/905232008.db2.gz JWFJJEIIEBAKBW-HXUWFJFHSA-N 2 1 378.564 3.883 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CCC3(CCC(=O)N3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984599 905240636 /nfs/dbraw/zinc/24/06/36/905240636.db2.gz WHWSKNBWLOIYAA-MMPATGFWSA-N 2 1 383.580 3.858 20 0 GHADMP Cc1cncnc1O[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987403 905249082 /nfs/dbraw/zinc/24/90/82/905249082.db2.gz UWVRNLRTFGHJCL-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987403 905249094 /nfs/dbraw/zinc/24/90/94/905249094.db2.gz UWVRNLRTFGHJCL-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987403 905249106 /nfs/dbraw/zinc/24/91/06/905249106.db2.gz UWVRNLRTFGHJCL-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987403 905249117 /nfs/dbraw/zinc/24/91/17/905249117.db2.gz UWVRNLRTFGHJCL-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]C2CCN(c4ccncn4)CC2)C3)cc1 ZINC001172071555 905273146 /nfs/dbraw/zinc/27/31/46/905273146.db2.gz XPSLCGSOFSGSCX-NUNAXRQHSA-N 2 1 391.563 3.621 20 0 GHADMP [NH3+]Cc1ccc2c(n1)N([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCC2 ZINC001172073415 905275824 /nfs/dbraw/zinc/27/58/24/905275824.db2.gz QKMMWPWTQSOBRE-NUNAXRQHSA-N 2 1 376.548 3.879 20 0 GHADMP Fc1cnc(O[C@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001172084777 905298158 /nfs/dbraw/zinc/29/81/58/905298158.db2.gz DJVXUPFXTSYARK-LRSLUSHPSA-N 2 1 396.510 3.655 20 0 GHADMP Fc1cnc(O[C@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084777 905298173 /nfs/dbraw/zinc/29/81/73/905298173.db2.gz DJVXUPFXTSYARK-LRSLUSHPSA-N 2 1 396.510 3.655 20 0 GHADMP Fc1cnc(O[C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084777 905298185 /nfs/dbraw/zinc/29/81/85/905298185.db2.gz DJVXUPFXTSYARK-LRSLUSHPSA-N 2 1 396.510 3.655 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N(c2cnccn2)C2CC[NH2+]CC2)C3)cc1 ZINC001172086747 905302848 /nfs/dbraw/zinc/30/28/48/905302848.db2.gz IIWUTBRKVIRQJJ-NUNAXRQHSA-N 2 1 391.563 3.621 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088762 905304784 /nfs/dbraw/zinc/30/47/84/905304784.db2.gz OAVYISBTCDAYPX-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088762 905304798 /nfs/dbraw/zinc/30/47/98/905304798.db2.gz OAVYISBTCDAYPX-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088762 905304812 /nfs/dbraw/zinc/30/48/12/905304812.db2.gz OAVYISBTCDAYPX-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088762 905304822 /nfs/dbraw/zinc/30/48/22/905304822.db2.gz OAVYISBTCDAYPX-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105626 905353845 /nfs/dbraw/zinc/35/38/45/905353845.db2.gz JCYFHKYEYYGBPZ-RZIOSVHNSA-N 2 1 377.573 3.581 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105626 905353857 /nfs/dbraw/zinc/35/38/57/905353857.db2.gz JCYFHKYEYYGBPZ-RZIOSVHNSA-N 2 1 377.573 3.581 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172105626 905353871 /nfs/dbraw/zinc/35/38/71/905353871.db2.gz JCYFHKYEYYGBPZ-RZIOSVHNSA-N 2 1 377.573 3.581 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172114449 905363470 /nfs/dbraw/zinc/36/34/70/905363470.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 3 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172114449 905363486 /nfs/dbraw/zinc/36/34/86/905363486.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 3 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172114449 905363502 /nfs/dbraw/zinc/36/35/02/905363502.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 3 1 382.596 3.773 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172114449 905363519 /nfs/dbraw/zinc/36/35/19/905363519.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 2 1 382.596 3.773 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172114449 905363532 /nfs/dbraw/zinc/36/35/32/905363532.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 2 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172114449 905363545 /nfs/dbraw/zinc/36/35/45/905363545.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 2 1 382.596 3.773 20 0 GHADMP C[NH+](Cc1ccncc1)C1CC2(C1)CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172114449 905363563 /nfs/dbraw/zinc/36/35/63/905363563.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 2 1 382.596 3.773 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122303 905382139 /nfs/dbraw/zinc/38/21/39/905382139.db2.gz ZJRZHYVWHPMLRQ-NTZUZEMLSA-N 2 1 395.563 3.577 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122303 905382156 /nfs/dbraw/zinc/38/21/56/905382156.db2.gz ZJRZHYVWHPMLRQ-NTZUZEMLSA-N 2 1 395.563 3.577 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122303 905382175 /nfs/dbraw/zinc/38/21/75/905382175.db2.gz ZJRZHYVWHPMLRQ-NTZUZEMLSA-N 2 1 395.563 3.577 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122303 905382189 /nfs/dbraw/zinc/38/21/89/905382189.db2.gz ZJRZHYVWHPMLRQ-NTZUZEMLSA-N 2 1 395.563 3.577 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172122459 905382498 /nfs/dbraw/zinc/38/24/98/905382498.db2.gz BJNWHMJIKVPSBE-BJESRGMDSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@H]2CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172122459 905382517 /nfs/dbraw/zinc/38/25/17/905382517.db2.gz BJNWHMJIKVPSBE-BJESRGMDSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@H]2CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172122459 905382541 /nfs/dbraw/zinc/38/25/41/905382541.db2.gz BJNWHMJIKVPSBE-BJESRGMDSA-N 2 1 385.596 3.997 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001172209630 905408106 /nfs/dbraw/zinc/40/81/06/905408106.db2.gz MWCWWADWHPUZNQ-LWEYNCJUSA-N 2 1 378.944 3.767 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC(n2c(C)c[nH+]c2CC[NH3+])CC1 ZINC001172209950 905409955 /nfs/dbraw/zinc/40/99/55/905409955.db2.gz RHUXJSRYUOGDFZ-UHFFFAOYSA-N 2 1 375.900 3.572 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H](C(=O)Nc2ccc3ccccc3c2)C(C)C)CC1 ZINC001172249540 905448092 /nfs/dbraw/zinc/44/80/92/905448092.db2.gz NGFUQGLNPLTGEM-QHCPKHFHSA-N 2 1 397.563 3.893 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)CC1 ZINC001172255119 905451091 /nfs/dbraw/zinc/45/10/91/905451091.db2.gz IMSCXJOOGFJFIJ-BJKOFHAPSA-N 2 1 386.580 3.600 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)CC1 ZINC001172255119 905451098 /nfs/dbraw/zinc/45/10/98/905451098.db2.gz IMSCXJOOGFJFIJ-BJKOFHAPSA-N 2 1 386.580 3.600 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175425969 905562325 /nfs/dbraw/zinc/56/23/25/905562325.db2.gz ONNTTXBPOZDDQF-WIYYLYMNSA-N 2 1 386.584 3.602 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000801583572 921161821 /nfs/dbraw/zinc/16/18/21/921161821.db2.gz ZWXCOXZYZHSPCL-YADHBBJMSA-N 2 1 393.531 3.902 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000801583572 921161831 /nfs/dbraw/zinc/16/18/31/921161831.db2.gz ZWXCOXZYZHSPCL-YADHBBJMSA-N 2 1 393.531 3.902 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172597065 905660667 /nfs/dbraw/zinc/66/06/67/905660667.db2.gz OMUYHQBCJJWAFB-WMZOPIPTSA-N 2 1 377.504 3.656 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001172634337 905695694 /nfs/dbraw/zinc/69/56/94/905695694.db2.gz HCFSETVHBWIGTI-VQTJNVASSA-N 2 1 397.604 3.645 20 0 GHADMP O=C1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC001172663790 905726601 /nfs/dbraw/zinc/72/66/01/905726601.db2.gz QCTBMMIKLIQRQN-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172777462 905817353 /nfs/dbraw/zinc/81/73/53/905817353.db2.gz JIFZEAZHZDMBGP-CWJKEVGVSA-N 2 1 388.552 3.889 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001172785578 905828752 /nfs/dbraw/zinc/82/87/52/905828752.db2.gz CYSCLGDKOAQARL-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001172785578 905828764 /nfs/dbraw/zinc/82/87/64/905828764.db2.gz CYSCLGDKOAQARL-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001172785578 905828787 /nfs/dbraw/zinc/82/87/87/905828787.db2.gz CYSCLGDKOAQARL-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001172785578 905828800 /nfs/dbraw/zinc/82/88/00/905828800.db2.gz CYSCLGDKOAQARL-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001172850667 905904188 /nfs/dbraw/zinc/90/41/88/905904188.db2.gz LLGMDPYWIJPHNV-INIZCTEOSA-N 2 1 390.934 3.761 20 0 GHADMP Cc1ccc[nH+]c1N([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC001172967895 906030144 /nfs/dbraw/zinc/03/01/44/906030144.db2.gz MHQZFJSKZGIYAT-KRWDZBQOSA-N 2 1 376.545 3.594 20 0 GHADMP C[C@@H]1CC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173058050 906133150 /nfs/dbraw/zinc/13/31/50/906133150.db2.gz ALFBEQQUPWRKHD-SOAMZJECSA-N 2 1 395.588 3.525 20 0 GHADMP CC[NH+](CC)C1CCC(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)CC1 ZINC001173109528 906194500 /nfs/dbraw/zinc/19/45/00/906194500.db2.gz CHFQXJVCTSOUTQ-XEVCZEQESA-N 3 1 375.605 3.753 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)CC1 ZINC001173109617 906196473 /nfs/dbraw/zinc/19/64/73/906196473.db2.gz DKAMQZIYUSKHND-UBVWURDFSA-N 2 1 398.595 3.549 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)CC1 ZINC001173110279 906196827 /nfs/dbraw/zinc/19/68/27/906196827.db2.gz JGQYBYTWXZCSBT-FVELJTHGSA-N 2 1 376.614 3.692 20 0 GHADMP CN1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173197846 906282778 /nfs/dbraw/zinc/28/27/78/906282778.db2.gz KTIMZGKRIRTEQZ-UHFFFAOYSA-N 2 1 393.575 3.914 20 0 GHADMP CCc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001173248077 906336415 /nfs/dbraw/zinc/33/64/15/906336415.db2.gz TZZZRZFFRRFKNE-WUMKDDEVSA-N 2 1 397.607 3.587 20 0 GHADMP CCSC[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001173303191 906360793 /nfs/dbraw/zinc/36/07/93/906360793.db2.gz FLMCUXRVWYRLBV-SFHVURJKSA-N 2 1 378.582 3.504 20 0 GHADMP CCSC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001173303191 906360803 /nfs/dbraw/zinc/36/08/03/906360803.db2.gz FLMCUXRVWYRLBV-SFHVURJKSA-N 2 1 378.582 3.504 20 0 GHADMP CC[C@H]1CC[C@@H]([NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)C1 ZINC001173280102 906365786 /nfs/dbraw/zinc/36/57/86/906365786.db2.gz SEUHVNOSMQYHRN-VQTJNVASSA-N 2 1 383.580 3.816 20 0 GHADMP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388717 906490354 /nfs/dbraw/zinc/49/03/54/906490354.db2.gz PCIOVQNEHAZUCF-QGZVFWFLSA-N 2 1 392.507 3.826 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](C)C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001173622510 906571729 /nfs/dbraw/zinc/57/17/29/906571729.db2.gz KGPPIDUWBAPXSM-ZFFJJBRDSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+](C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001173622510 906571736 /nfs/dbraw/zinc/57/17/36/906571736.db2.gz KGPPIDUWBAPXSM-ZFFJJBRDSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+](C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001173622510 906571743 /nfs/dbraw/zinc/57/17/43/906571743.db2.gz KGPPIDUWBAPXSM-ZFFJJBRDSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662263 906600001 /nfs/dbraw/zinc/60/00/01/906600001.db2.gz WQHVPQJXIZAXAM-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662263 906600007 /nfs/dbraw/zinc/60/00/07/906600007.db2.gz WQHVPQJXIZAXAM-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC001173709622 906659484 /nfs/dbraw/zinc/65/94/84/906659484.db2.gz PDTGZTOKMXDJFK-LWZKNFMGSA-N 2 1 392.543 3.904 20 0 GHADMP CCC[NH+](CCC)CC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173767738 906686793 /nfs/dbraw/zinc/68/67/93/906686793.db2.gz MZHGCLXJIORKDH-UHFFFAOYSA-N 2 1 383.939 3.795 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000629601894 906894305 /nfs/dbraw/zinc/89/43/05/906894305.db2.gz NWRLLIZTDXDXAB-UHFFFAOYSA-N 2 1 395.528 3.549 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000629601894 906894319 /nfs/dbraw/zinc/89/43/19/906894319.db2.gz NWRLLIZTDXDXAB-UHFFFAOYSA-N 2 1 395.528 3.549 20 0 GHADMP CCOC(=O)C1CC[NH+](Cc2cccc(Nc3ccc4[nH+]ccn4c3)c2)CC1 ZINC001174277349 906969699 /nfs/dbraw/zinc/96/96/99/906969699.db2.gz CAHUMYKKARSHNC-UHFFFAOYSA-N 2 1 378.476 3.853 20 0 GHADMP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000182226091 907161461 /nfs/dbraw/zinc/16/14/61/907161461.db2.gz UIBOZFDHIFRWMY-WIYYLYMNSA-N 2 1 398.547 3.820 20 0 GHADMP COCc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1OC ZINC000182228935 907163499 /nfs/dbraw/zinc/16/34/99/907163499.db2.gz BZYFPMMBTUSUGI-WZONZLPQSA-N 2 1 398.547 3.649 20 0 GHADMP COc1cc(Br)ccc1CCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070451 907366068 /nfs/dbraw/zinc/36/60/68/907366068.db2.gz UZKSRQUXRPFPMZ-OALUTQOASA-N 2 1 381.358 3.664 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001175070451 907366087 /nfs/dbraw/zinc/36/60/87/907366087.db2.gz UZKSRQUXRPFPMZ-OALUTQOASA-N 2 1 381.358 3.664 20 0 GHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@]2(C1)C[NH+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690418 907695444 /nfs/dbraw/zinc/69/54/44/907695444.db2.gz XYJDVPAYHUVKGN-YFNKSVMNSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690418 907695451 /nfs/dbraw/zinc/69/54/51/907695451.db2.gz XYJDVPAYHUVKGN-YFNKSVMNSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690418 907695458 /nfs/dbraw/zinc/69/54/58/907695458.db2.gz XYJDVPAYHUVKGN-YFNKSVMNSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H](n2cncn2)C(F)(F)F)CC1 ZINC000631689845 907808665 /nfs/dbraw/zinc/80/86/65/907808665.db2.gz FFSQOLJFCMRCOI-HNNXBMFYSA-N 2 1 375.483 3.650 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCC(=O)Nc1ccccc1F)C2 ZINC001175974676 907848369 /nfs/dbraw/zinc/84/83/69/907848369.db2.gz WKNGHJOUDICDJF-WMZHIEFXSA-N 2 1 381.495 3.608 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCC(=O)Nc1ccccc1F)C2 ZINC001175974676 907848384 /nfs/dbraw/zinc/84/83/84/907848384.db2.gz WKNGHJOUDICDJF-WMZHIEFXSA-N 2 1 381.495 3.608 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccccc3F)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001175974676 907848395 /nfs/dbraw/zinc/84/83/95/907848395.db2.gz WKNGHJOUDICDJF-WMZHIEFXSA-N 2 1 381.495 3.608 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccccc3F)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001175974676 907848407 /nfs/dbraw/zinc/84/84/07/907848407.db2.gz WKNGHJOUDICDJF-WMZHIEFXSA-N 2 1 381.495 3.608 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC001176129664 907952066 /nfs/dbraw/zinc/95/20/66/907952066.db2.gz HYCKGAMXVQJFPF-JOCHJYFZSA-N 2 1 379.589 3.976 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@H](C2OCCO2)C1)c1ccccc1 ZINC001176209660 907984936 /nfs/dbraw/zinc/98/49/36/907984936.db2.gz IYLKNYNASZXNKS-XZOQPEGZSA-N 2 1 380.532 3.597 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001176282558 908013093 /nfs/dbraw/zinc/01/30/93/908013093.db2.gz XXKMLOPOSIWBIS-MRXNPFEDSA-N 2 1 387.911 3.650 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001176282558 908013110 /nfs/dbraw/zinc/01/31/10/908013110.db2.gz XXKMLOPOSIWBIS-MRXNPFEDSA-N 2 1 387.911 3.650 20 0 GHADMP COc1ccccc1-c1nc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)no1 ZINC000192342545 908765248 /nfs/dbraw/zinc/76/52/48/908765248.db2.gz UGMZUQIDJFBZTE-UHFFFAOYSA-N 2 1 384.524 3.801 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(Br)cs1 ZINC000194169305 908921739 /nfs/dbraw/zinc/92/17/39/908921739.db2.gz HAOLMBULBTVGAE-GUYCJALGSA-N 2 1 395.366 3.928 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000195237676 908986044 /nfs/dbraw/zinc/98/60/44/908986044.db2.gz HFIMLDHLSBVUOZ-NFBKMPQASA-N 2 1 387.568 3.745 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2ccccc12 ZINC001178463427 909065428 /nfs/dbraw/zinc/06/54/28/909065428.db2.gz PUDLDNAWXOPNJH-NRFANRHFSA-N 2 1 376.500 3.705 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000636006423 909407275 /nfs/dbraw/zinc/40/72/75/909407275.db2.gz ZCYSDCCHZRAPBC-UHFFFAOYSA-N 2 1 390.915 3.772 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001179338815 909497022 /nfs/dbraw/zinc/49/70/22/909497022.db2.gz OSHWMTCNYIUQAO-DYESRHJHSA-N 2 1 386.511 3.975 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001179338815 909497025 /nfs/dbraw/zinc/49/70/25/909497025.db2.gz OSHWMTCNYIUQAO-DYESRHJHSA-N 2 1 386.511 3.975 20 0 GHADMP CCCOc1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1OC ZINC000069171423 909506168 /nfs/dbraw/zinc/50/61/68/909506168.db2.gz CBNJVGUVBLYUDB-JOCHJYFZSA-N 2 1 397.563 3.562 20 0 GHADMP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1OC ZINC000069160461 909519221 /nfs/dbraw/zinc/51/92/21/909519221.db2.gz WHYRNYVJVARTEW-OAHLLOKOSA-N 2 1 397.357 3.844 20 0 GHADMP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)cc1OC ZINC000069160461 909519224 /nfs/dbraw/zinc/51/92/24/909519224.db2.gz WHYRNYVJVARTEW-OAHLLOKOSA-N 2 1 397.357 3.844 20 0 GHADMP COc1ccc2oc(C[NH+]3CCN(CC[N@H+](C)Cc4ccccc4)CC3)cc2c1 ZINC001180188232 909984187 /nfs/dbraw/zinc/98/41/87/909984187.db2.gz CKCRTTHUPASPIH-UHFFFAOYSA-N 2 1 393.531 3.691 20 0 GHADMP COc1ccc2oc(C[NH+]3CCN(CC[N@@H+](C)Cc4ccccc4)CC3)cc2c1 ZINC001180188232 909984192 /nfs/dbraw/zinc/98/41/92/909984192.db2.gz CKCRTTHUPASPIH-UHFFFAOYSA-N 2 1 393.531 3.691 20 0 GHADMP CC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2n1CCCCC2 ZINC000268822206 910032425 /nfs/dbraw/zinc/03/24/25/910032425.db2.gz HIEYTABIGNLMAQ-FXAWDEMLSA-N 2 1 385.556 3.747 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000268896525 910062793 /nfs/dbraw/zinc/06/27/93/910062793.db2.gz LMBJDQKGFDNLMR-KRWDZBQOSA-N 2 1 395.522 3.702 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638364792 910134173 /nfs/dbraw/zinc/13/41/73/910134173.db2.gz QFMFWVQWGCAZMN-IFMALSPDSA-N 2 1 383.580 3.981 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638364792 910134185 /nfs/dbraw/zinc/13/41/85/910134185.db2.gz QFMFWVQWGCAZMN-IFMALSPDSA-N 2 1 383.580 3.981 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccc(Br)cc1 ZINC000638377314 910135438 /nfs/dbraw/zinc/13/54/38/910135438.db2.gz PJKYKVAXDWRSCA-FYQPLNBISA-N 2 1 392.385 3.801 20 0 GHADMP O[C@@H]1CC[NH+](C[C@@H](C[N@@H+]2CC[C@H](O)CC23CCC3)c2ccccc2)C2(CCC2)C1 ZINC000639687842 910614521 /nfs/dbraw/zinc/61/45/21/910614521.db2.gz RICXELFKIBXHJI-NUNAXRQHSA-N 2 1 398.591 3.529 20 0 GHADMP O[C@@H]1CC[N@@H+](C[C@@H](C[NH+]2CC[C@H](O)CC23CCC3)c2ccccc2)C2(CCC2)C1 ZINC000639687842 910614533 /nfs/dbraw/zinc/61/45/33/910614533.db2.gz RICXELFKIBXHJI-NUNAXRQHSA-N 2 1 398.591 3.529 20 0 GHADMP O[C@@H]1CC[N@H+](C[C@@H](C[NH+]2CC[C@H](O)CC23CCC3)c2ccccc2)C2(CCC2)C1 ZINC000639687842 910614541 /nfs/dbraw/zinc/61/45/41/910614541.db2.gz RICXELFKIBXHJI-NUNAXRQHSA-N 2 1 398.591 3.529 20 0 GHADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000639982352 910765665 /nfs/dbraw/zinc/76/56/65/910765665.db2.gz NGVDXWDUYTYQDL-UHFFFAOYSA-N 2 1 383.458 3.984 20 0 GHADMP C[C@@H](c1ccc(Oc2ccccc2)cc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641118375 911329088 /nfs/dbraw/zinc/32/90/88/911329088.db2.gz LOCFSBRIXYLFNB-SFHVURJKSA-N 2 1 391.519 3.645 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCCC[NH+]3CCc4ccccc4C3)c2)C1 ZINC001182338349 911506504 /nfs/dbraw/zinc/50/65/04/911506504.db2.gz DTUVIOSSOGDLIX-QHCPKHFHSA-N 2 1 391.559 3.674 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2)C1 ZINC001182338349 911506513 /nfs/dbraw/zinc/50/65/13/911506513.db2.gz DTUVIOSSOGDLIX-QHCPKHFHSA-N 2 1 391.559 3.674 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2)C1 ZINC001182338349 911506523 /nfs/dbraw/zinc/50/65/23/911506523.db2.gz DTUVIOSSOGDLIX-QHCPKHFHSA-N 2 1 391.559 3.674 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)C2)CC1 ZINC000284394561 911852017 /nfs/dbraw/zinc/85/20/17/911852017.db2.gz PKLDMVLEKIQWKO-GOSISDBHSA-N 2 1 390.984 3.675 20 0 GHADMP Cc1cc(N2CCC([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)CC2)n[nH]1 ZINC000285168414 912193333 /nfs/dbraw/zinc/19/33/33/912193333.db2.gz MVDIOTHQZJMKAO-UHFFFAOYSA-N 2 1 381.568 3.720 20 0 GHADMP COc1ccc(-c2csc3ncnc(NCC[N@H+](C)CCC[NH+](C)C)c23)cc1 ZINC001186989201 914909776 /nfs/dbraw/zinc/90/97/76/914909776.db2.gz DDOJWPJTTGCQME-UHFFFAOYSA-N 2 1 399.564 3.662 20 0 GHADMP COc1ccc(-c2csc3ncnc(NCC[N@@H+](C)CCC[NH+](C)C)c23)cc1 ZINC001186989201 914909785 /nfs/dbraw/zinc/90/97/85/914909785.db2.gz DDOJWPJTTGCQME-UHFFFAOYSA-N 2 1 399.564 3.662 20 0 GHADMP COC(=O)c1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n(C)c1C ZINC000291327463 915104103 /nfs/dbraw/zinc/10/41/03/915104103.db2.gz ZNPAPDIHFLBRHZ-UHFFFAOYSA-N 2 1 398.551 3.510 20 0 GHADMP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)NCc1cccs1 ZINC000647334685 915156896 /nfs/dbraw/zinc/15/68/96/915156896.db2.gz PRYNZMKFVVSBOB-QRWLVFNGSA-N 2 1 382.533 3.988 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1OC ZINC000647344187 915162491 /nfs/dbraw/zinc/16/24/91/915162491.db2.gz LHRQNTOIFOXALY-WTOYTKOKSA-N 2 1 382.548 3.878 20 0 GHADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344536 915165225 /nfs/dbraw/zinc/16/52/25/915165225.db2.gz TVDWZPFLGNVXRO-FSSWDIPSSA-N 2 1 382.548 3.960 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000647479767 915290415 /nfs/dbraw/zinc/29/04/15/915290415.db2.gz TXIMZTVWNNVLSE-OFNKIYASSA-N 2 1 387.531 3.898 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000647479767 915290425 /nfs/dbraw/zinc/29/04/25/915290425.db2.gz TXIMZTVWNNVLSE-OFNKIYASSA-N 2 1 387.531 3.898 20 0 GHADMP CCOc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc(Br)c1OC ZINC000647482923 915297081 /nfs/dbraw/zinc/29/70/81/915297081.db2.gz KANUHVWRCIVLKV-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc(Br)c1OC ZINC000647482923 915297093 /nfs/dbraw/zinc/29/70/93/915297093.db2.gz KANUHVWRCIVLKV-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP COc1ccc([C@@H]([NH2+]C[C@H]2CC[NH2+]C2)c2ccccc2)cc1Br ZINC000647892317 915427627 /nfs/dbraw/zinc/42/76/27/915427627.db2.gz UJWCEBBQBKYPEF-LIRRHRJNSA-N 2 1 375.310 3.746 20 0 GHADMP COc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(-c2ccccc2)cc1OC ZINC000648071532 915508593 /nfs/dbraw/zinc/50/85/93/915508593.db2.gz GZZUDPDYISKVMD-UHFFFAOYSA-N 2 1 396.531 3.667 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000648848037 915907875 /nfs/dbraw/zinc/90/78/75/915907875.db2.gz MDTDYRWNOQKNEN-SFHVURJKSA-N 2 1 383.540 3.566 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000361155134 916534271 /nfs/dbraw/zinc/53/42/71/916534271.db2.gz AEJQHQADBWPHTO-QWHCGFSZSA-N 2 1 375.257 3.767 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000361155134 916534281 /nfs/dbraw/zinc/53/42/81/916534281.db2.gz AEJQHQADBWPHTO-QWHCGFSZSA-N 2 1 375.257 3.767 20 0 GHADMP Nc1ccnc(-c2cc(NC(=O)c3ccc(CN4CCCCC4)o3)ccn2)c1 ZINC001189737527 916894471 /nfs/dbraw/zinc/89/44/71/916894471.db2.gz LXAJGPWSFAVCMR-UHFFFAOYSA-N 2 1 377.448 3.557 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C(F)F)ccc1F ZINC000650387741 916941115 /nfs/dbraw/zinc/94/11/15/916941115.db2.gz ZIXKGYHRWUABRB-OAHLLOKOSA-N 2 1 386.462 3.643 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416273 916963988 /nfs/dbraw/zinc/96/39/88/916963988.db2.gz ZMSPXULOZBLHAA-HXUWFJFHSA-N 2 1 390.597 3.678 20 0 GHADMP CCOC[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](COCC)C3)c2)C1 ZINC000294865699 917020318 /nfs/dbraw/zinc/02/03/18/917020318.db2.gz DIUIIJRXKMRQIH-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP CCOC[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000294865699 917020330 /nfs/dbraw/zinc/02/03/30/917020330.db2.gz DIUIIJRXKMRQIH-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP CCOC[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000294865699 917020343 /nfs/dbraw/zinc/02/03/43/917020343.db2.gz DIUIIJRXKMRQIH-UXHICEINSA-N 2 1 378.532 3.543 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000650707272 917243551 /nfs/dbraw/zinc/24/35/51/917243551.db2.gz BZDHDRGOTVARBC-LZJOCLMNSA-N 2 1 377.960 3.659 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OCC ZINC000650722197 917248657 /nfs/dbraw/zinc/24/86/57/917248657.db2.gz MYLRHUISWUMFOQ-ZVDOUQERSA-N 2 1 376.541 3.735 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722633 917249134 /nfs/dbraw/zinc/24/91/34/917249134.db2.gz YLMNRYZMSMESHV-CGTJXYLNSA-N 2 1 382.932 3.608 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650724857 917249942 /nfs/dbraw/zinc/24/99/42/917249942.db2.gz NOXKPHLRHDJEJL-CEMLEFRQSA-N 2 1 380.536 3.710 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)c(Br)c2)C1 ZINC000650723140 917250528 /nfs/dbraw/zinc/25/05/28/917250528.db2.gz HVVOFGIYDALEOO-XOKHGSTOSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Br)c2)C1 ZINC000650723140 917250540 /nfs/dbraw/zinc/25/05/40/917250540.db2.gz HVVOFGIYDALEOO-XOKHGSTOSA-N 2 1 387.749 3.963 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000651211717 917517802 /nfs/dbraw/zinc/51/78/02/917517802.db2.gz WLOBSOWHGMSTGZ-HBMCJLEFSA-N 2 1 377.523 3.749 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001190790639 917566863 /nfs/dbraw/zinc/56/68/63/917566863.db2.gz BHSIHMBCXRYDBC-HSZRJFAPSA-N 2 1 399.579 3.984 20 0 GHADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC001191173459 917799787 /nfs/dbraw/zinc/79/97/87/917799787.db2.gz FCSCAXFWQGXGFZ-SEBOWIOWSA-N 2 1 379.589 3.828 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652125151 917808210 /nfs/dbraw/zinc/80/82/10/917808210.db2.gz GBRGSEFLZIMKIB-KRWDZBQOSA-N 2 1 398.526 3.658 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH3+])cc1F)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000652276483 917862365 /nfs/dbraw/zinc/86/23/65/917862365.db2.gz XOPALXAWOCCEOG-UWJYYQICSA-N 2 1 398.526 3.651 20 0 GHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)cc1OC ZINC000652355633 917879457 /nfs/dbraw/zinc/87/94/57/917879457.db2.gz BQCNSAIYIIFQTM-PBHICJAKSA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)cc1OC ZINC000652355633 917879464 /nfs/dbraw/zinc/87/94/64/917879464.db2.gz BQCNSAIYIIFQTM-PBHICJAKSA-N 2 1 375.538 3.777 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000652362489 917882663 /nfs/dbraw/zinc/88/26/63/917882663.db2.gz IKJIBQKNNCEQDR-SQNIBIBYSA-N 2 1 375.900 3.856 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000652362486 917883008 /nfs/dbraw/zinc/88/30/08/917883008.db2.gz IKJIBQKNNCEQDR-FGTMMUONSA-N 2 1 375.900 3.856 20 0 GHADMP C[C@@H](Cc1cccs1)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001191464958 918029955 /nfs/dbraw/zinc/02/99/55/918029955.db2.gz URZWIBHHYRFLQN-SFHVURJKSA-N 2 1 385.577 3.523 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCc1c(C)noc1C ZINC000363372369 918166987 /nfs/dbraw/zinc/16/69/87/918166987.db2.gz WIHHDTSYOQIABH-OALUTQOASA-N 2 1 385.508 3.595 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCc1c(C)noc1C ZINC000363372369 918166991 /nfs/dbraw/zinc/16/69/91/918166991.db2.gz WIHHDTSYOQIABH-OALUTQOASA-N 2 1 385.508 3.595 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775493452 918344942 /nfs/dbraw/zinc/34/49/42/918344942.db2.gz SOIKXHOTDNTENW-WIYYLYMNSA-N 2 1 379.504 3.643 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363548159 918397904 /nfs/dbraw/zinc/39/79/04/918397904.db2.gz WTQWAZMZGRLUBO-BMFZPTHFSA-N 2 1 385.430 3.519 20 0 GHADMP C[C@H]([NH2+]CCCNC(=O)/C=C/c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000800504886 920204813 /nfs/dbraw/zinc/20/48/13/920204813.db2.gz GTSWLNKYTNJPNL-ZOXDJDRJSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800507524 920214413 /nfs/dbraw/zinc/21/44/13/920214413.db2.gz YLIDRESNUIUKCP-AUJBNRGBSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000800507524 920214422 /nfs/dbraw/zinc/21/44/22/920214422.db2.gz YLIDRESNUIUKCP-AUJBNRGBSA-N 2 1 391.559 3.706 20 0 GHADMP c1nc(C2OCCO2)sc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367297885 922021958 /nfs/dbraw/zinc/02/19/58/922021958.db2.gz ALDPPHLHBJRCAV-UHFFFAOYSA-N 2 1 399.560 3.677 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367297885 922021973 /nfs/dbraw/zinc/02/19/73/922021973.db2.gz ALDPPHLHBJRCAV-UHFFFAOYSA-N 2 1 399.560 3.677 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367297885 922021989 /nfs/dbraw/zinc/02/19/89/922021989.db2.gz ALDPPHLHBJRCAV-UHFFFAOYSA-N 2 1 399.560 3.677 20 0 GHADMP [NH3+]CCCC[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1F ZINC000902362855 922124282 /nfs/dbraw/zinc/12/42/82/922124282.db2.gz WNVCZJTZBWPOAH-NRFANRHFSA-N 2 1 395.538 3.760 20 0 GHADMP CCO[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000902789085 922500010 /nfs/dbraw/zinc/50/00/10/922500010.db2.gz HSBQDALZDBHDPG-REWPJTCUSA-N 2 1 390.568 3.614 20 0 GHADMP C[C@@]1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530327 922731874 /nfs/dbraw/zinc/73/18/74/922731874.db2.gz KXTDJQQNAFYZAI-DEOSSOPVSA-N 2 1 378.564 3.548 20 0 GHADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1)c1ccccn1 ZINC000903074865 922750282 /nfs/dbraw/zinc/75/02/82/922750282.db2.gz PETOWJUIKAWSAY-VCSGRIEYSA-N 2 1 376.504 3.581 20 0 GHADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1)c1ccccn1 ZINC000903074865 922750294 /nfs/dbraw/zinc/75/02/94/922750294.db2.gz PETOWJUIKAWSAY-VCSGRIEYSA-N 2 1 376.504 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903218754 922863919 /nfs/dbraw/zinc/86/39/19/922863919.db2.gz DBKOYFRNOPDFKW-UNPWZGGWSA-N 2 1 399.526 3.626 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3Br)C2)C1 ZINC000903460606 923039845 /nfs/dbraw/zinc/03/98/45/923039845.db2.gz FMQQQSKUMULYFW-XNRPHZJLSA-N 2 1 387.749 3.821 20 0 GHADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000903735384 923239126 /nfs/dbraw/zinc/23/91/26/923239126.db2.gz ZHTGSTDSAMLINA-IPMKNSEASA-N 2 1 378.582 3.575 20 0 GHADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000803906808 923362449 /nfs/dbraw/zinc/36/24/49/923362449.db2.gz NXNCCIOVBPJDJN-LJQANCHMSA-N 2 1 391.462 3.672 20 0 GHADMP Cc1[nH+]ccn1CCCCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803906808 923362461 /nfs/dbraw/zinc/36/24/61/923362461.db2.gz NXNCCIOVBPJDJN-LJQANCHMSA-N 2 1 391.462 3.672 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OCc1cccs1 ZINC000903957427 923436821 /nfs/dbraw/zinc/43/68/21/923436821.db2.gz QRLWBERBOCKUOR-OAHLLOKOSA-N 2 1 382.476 3.670 20 0 GHADMP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000370704507 924266670 /nfs/dbraw/zinc/26/66/70/924266670.db2.gz ZPFCCQSKQCPGLQ-UWVAXJGDSA-N 2 1 394.401 3.510 20 0 GHADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000370704507 924266678 /nfs/dbraw/zinc/26/66/78/924266678.db2.gz ZPFCCQSKQCPGLQ-UWVAXJGDSA-N 2 1 394.401 3.510 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000371116756 924434192 /nfs/dbraw/zinc/43/41/92/924434192.db2.gz HEWRMDCYTIJVGS-UWJYYQICSA-N 2 1 395.551 3.615 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3cccc(Br)c3)C2)CC1 ZINC000371331606 924528900 /nfs/dbraw/zinc/52/89/00/924528900.db2.gz JHLKPLGDUDOORD-FXAWDEMLSA-N 2 1 394.401 3.653 20 0 GHADMP C[C@@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904881 924543575 /nfs/dbraw/zinc/54/35/75/924543575.db2.gz SXWFDPVIQSCEGY-YLJYHZDGSA-N 2 1 383.502 3.596 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000371483176 924606461 /nfs/dbraw/zinc/60/64/61/924606461.db2.gz UQKQHWSQSJIYLY-GOTSBHOMSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371483176 924606465 /nfs/dbraw/zinc/60/64/65/924606465.db2.gz UQKQHWSQSJIYLY-GOTSBHOMSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000371483176 924606468 /nfs/dbraw/zinc/60/64/68/924606468.db2.gz UQKQHWSQSJIYLY-GOTSBHOMSA-N 2 1 377.532 3.675 20 0 GHADMP c1ccc2c(c1)CC[C@@]21C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678278161 924704337 /nfs/dbraw/zinc/70/43/37/924704337.db2.gz URMZLNJJQZLTBB-RUZDIDTESA-N 2 1 392.543 3.835 20 0 GHADMP [NH3+]Cc1cccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000827103776 924753006 /nfs/dbraw/zinc/75/30/06/924753006.db2.gz OVNPQUZKLNXDQH-OAQYLSRUSA-N 2 1 391.540 3.736 20 0 GHADMP [NH3+]Cc1cccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000827103776 924753011 /nfs/dbraw/zinc/75/30/11/924753011.db2.gz OVNPQUZKLNXDQH-OAQYLSRUSA-N 2 1 391.540 3.736 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000678605148 924837464 /nfs/dbraw/zinc/83/74/64/924837464.db2.gz HLTDQXHFELLOHQ-IRFCIJBXSA-N 2 1 390.535 3.614 20 0 GHADMP C(C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678637775 924858079 /nfs/dbraw/zinc/85/80/79/924858079.db2.gz CEVDYTOFOOOJLP-ODAXIHTASA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637775 924858087 /nfs/dbraw/zinc/85/80/87/924858087.db2.gz CEVDYTOFOOOJLP-ODAXIHTASA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCC[C@H](C[C@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637775 924858096 /nfs/dbraw/zinc/85/80/96/924858096.db2.gz CEVDYTOFOOOJLP-ODAXIHTASA-N 2 1 378.601 3.654 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(N2CCCC2)n1 ZINC000679724524 925248112 /nfs/dbraw/zinc/24/81/12/925248112.db2.gz ZBFXPSKGGMWPQK-AUSIDOKSSA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(N2CCCC2)n1 ZINC000679724524 925248119 /nfs/dbraw/zinc/24/81/19/925248119.db2.gz ZBFXPSKGGMWPQK-AUSIDOKSSA-N 2 1 378.564 3.990 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680268563 925415228 /nfs/dbraw/zinc/41/52/28/925415228.db2.gz HVZPIYZYBFTCGH-CEWLAPEOSA-N 2 1 397.588 3.840 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000410345444 925554899 /nfs/dbraw/zinc/55/48/99/925554899.db2.gz BEOQJQJVXXEEDU-NFBKMPQASA-N 2 1 398.595 3.831 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000410357097 925557932 /nfs/dbraw/zinc/55/79/32/925557932.db2.gz ZQGZUDOBEUPTTN-FQEVSTJZSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)[NH+](CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000410354530 925560359 /nfs/dbraw/zinc/56/03/59/925560359.db2.gz ORERAUHBATZDBG-FQEVSTJZSA-N 2 1 388.600 3.837 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000410359022 925571342 /nfs/dbraw/zinc/57/13/42/925571342.db2.gz LDHOHFOMNIAEKX-UHFFFAOYSA-N 2 1 398.551 3.789 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC[NH+]3CCCCC3)cc2)C1 ZINC000410366642 925575027 /nfs/dbraw/zinc/57/50/27/925575027.db2.gz MFSLBZIOGIJPAE-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410373342 925585640 /nfs/dbraw/zinc/58/56/40/925585640.db2.gz XEAVGFDREMQZGW-FQEVSTJZSA-N 2 1 388.600 3.648 20 0 GHADMP CCS(=O)(=O)CCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000373697567 926345188 /nfs/dbraw/zinc/34/51/88/926345188.db2.gz ALZDTKVAUJVPEA-UHFFFAOYSA-N 2 1 392.609 3.580 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](C2CCOCC2)C1)CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000411405662 926361001 /nfs/dbraw/zinc/36/10/01/926361001.db2.gz HLKOWTNXOKIZLM-GCORVILKSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](CC[NH+]1CC[C@H](C2CCOCC2)C1)CC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000411405662 926361011 /nfs/dbraw/zinc/36/10/11/926361011.db2.gz HLKOWTNXOKIZLM-GCORVILKSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](CC[NH+]1CC[C@H](C2CCOCC2)C1)CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000411405662 926361016 /nfs/dbraw/zinc/36/10/16/926361016.db2.gz HLKOWTNXOKIZLM-GCORVILKSA-N 2 1 392.628 3.900 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000543813971 926408694 /nfs/dbraw/zinc/40/86/94/926408694.db2.gz QFSMIWZKWWRSAZ-HOTGVXAUSA-N 2 1 380.467 3.848 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000543813972 926408847 /nfs/dbraw/zinc/40/88/47/926408847.db2.gz QFSMIWZKWWRSAZ-HZPDHXFCSA-N 2 1 380.467 3.848 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000411549886 926511035 /nfs/dbraw/zinc/51/10/35/926511035.db2.gz IHXMEXDWZZFLMC-IIBYNOLFSA-N 2 1 387.474 3.794 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411548633 926512180 /nfs/dbraw/zinc/51/21/80/926512180.db2.gz FNOHKPGBIPXEHX-YPIGPJMWSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411548633 926512184 /nfs/dbraw/zinc/51/21/84/926512184.db2.gz FNOHKPGBIPXEHX-YPIGPJMWSA-N 2 1 383.580 3.668 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000411761120 926742212 /nfs/dbraw/zinc/74/22/12/926742212.db2.gz XQUHZQGJGQSHIO-IBGZPJMESA-N 2 1 384.351 3.635 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412298536 927309627 /nfs/dbraw/zinc/30/96/27/927309627.db2.gz GAHGOMQQXMFPMU-HSZRJFAPSA-N 2 1 391.559 3.924 20 0 GHADMP C[C@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCCCC1 ZINC000750732850 927819888 /nfs/dbraw/zinc/81/98/88/927819888.db2.gz SZXVGCWXXJGHOU-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000751054574 928003599 /nfs/dbraw/zinc/00/35/99/928003599.db2.gz MTBNUCZTALCUTB-SOAGJPPSSA-N 2 1 377.960 3.856 20 0 GHADMP C[C@@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000751091401 928024367 /nfs/dbraw/zinc/02/43/67/928024367.db2.gz DUQOHTOBECHRHN-SFHVURJKSA-N 2 1 380.621 3.506 20 0 GHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)c(OC)c1 ZINC000544351875 929083300 /nfs/dbraw/zinc/08/33/00/929083300.db2.gz ZHDXRVMNYBBQSD-NRFANRHFSA-N 2 1 378.476 3.930 20 0 GHADMP Cc1cc(C)c(CCNC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544421016 929157026 /nfs/dbraw/zinc/15/70/26/929157026.db2.gz OMPWIMVTQZGDSC-SFTDATJTSA-N 2 1 385.596 3.513 20 0 GHADMP Cc1cc(C)c(CCNC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544421016 929157032 /nfs/dbraw/zinc/15/70/32/929157032.db2.gz OMPWIMVTQZGDSC-SFTDATJTSA-N 2 1 385.596 3.513 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421420 929158132 /nfs/dbraw/zinc/15/81/32/929158132.db2.gz SVPRLPXTLOKUOO-NHCUHLMSSA-N 2 1 397.607 3.857 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421420 929158139 /nfs/dbraw/zinc/15/81/39/929158139.db2.gz SVPRLPXTLOKUOO-NHCUHLMSSA-N 2 1 397.607 3.857 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421415 929158247 /nfs/dbraw/zinc/15/82/47/929158247.db2.gz SVPRLPXTLOKUOO-LEWJYISDSA-N 2 1 397.607 3.857 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421415 929158263 /nfs/dbraw/zinc/15/82/63/929158263.db2.gz SVPRLPXTLOKUOO-LEWJYISDSA-N 2 1 397.607 3.857 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000544421601 929159929 /nfs/dbraw/zinc/15/99/29/929159929.db2.gz MOKMHDIBMVDTBZ-OPYAIIAOSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000544421601 929159937 /nfs/dbraw/zinc/15/99/37/929159937.db2.gz MOKMHDIBMVDTBZ-OPYAIIAOSA-N 2 1 387.543 3.872 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000467540702 929178626 /nfs/dbraw/zinc/17/86/26/929178626.db2.gz BWPQUSJJMXSERG-AUSIDOKSSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000467540702 929178636 /nfs/dbraw/zinc/17/86/36/929178636.db2.gz BWPQUSJJMXSERG-AUSIDOKSSA-N 2 1 377.532 3.603 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](C)CC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000469481337 929928638 /nfs/dbraw/zinc/92/86/38/929928638.db2.gz GVQOBLYCDFRSLI-CRAIPNDOSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000469481337 929928641 /nfs/dbraw/zinc/92/86/41/929928641.db2.gz GVQOBLYCDFRSLI-CRAIPNDOSA-N 2 1 385.474 3.641 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000469521808 929963498 /nfs/dbraw/zinc/96/34/98/929963498.db2.gz IXYIKDPESUSGSA-PMACEKPBSA-N 2 1 392.547 3.974 20 0 GHADMP Cc1ccc(NC(=O)CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000469755846 930138066 /nfs/dbraw/zinc/13/80/66/930138066.db2.gz CLGPDAACANOVKY-CYGODWOOSA-N 2 1 383.511 3.819 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000469755846 930138068 /nfs/dbraw/zinc/13/80/68/930138068.db2.gz CLGPDAACANOVKY-CYGODWOOSA-N 2 1 383.511 3.819 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000469755846 930138069 /nfs/dbraw/zinc/13/80/69/930138069.db2.gz CLGPDAACANOVKY-CYGODWOOSA-N 2 1 383.511 3.819 20 0 GHADMP Cc1cc(Br)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1OC(F)F ZINC000470007909 930311291 /nfs/dbraw/zinc/31/12/91/930311291.db2.gz HENXUXWFYAPUKT-LLVKDONJSA-N 2 1 377.273 3.918 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)c(F)c1 ZINC000781419867 930836409 /nfs/dbraw/zinc/83/64/09/930836409.db2.gz FSDIOAOEQASPTH-BZRIBIQUSA-N 2 1 386.486 3.889 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000470719289 930852397 /nfs/dbraw/zinc/85/23/97/930852397.db2.gz DSXVCDCSMNDRFU-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470896293 931007649 /nfs/dbraw/zinc/00/76/49/931007649.db2.gz FCPNWSDJHRGKBQ-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470896293 931007658 /nfs/dbraw/zinc/00/76/58/931007658.db2.gz FCPNWSDJHRGKBQ-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470896293 931007665 /nfs/dbraw/zinc/00/76/65/931007665.db2.gz FCPNWSDJHRGKBQ-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c2cccs2)CC1 ZINC000782755606 931325804 /nfs/dbraw/zinc/32/58/04/931325804.db2.gz UKRVBWCFCOGAGW-GMAHTHKFSA-N 2 1 399.604 3.794 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)CC2)CC1 ZINC000557475321 931458408 /nfs/dbraw/zinc/45/84/08/931458408.db2.gz FHDZDIDAMILOTN-QHCPKHFHSA-N 2 1 399.579 3.555 20 0 GHADMP CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2C1 ZINC000783306783 931516539 /nfs/dbraw/zinc/51/65/39/931516539.db2.gz MEBOYLATGJHQFG-UHFFFAOYSA-N 2 1 385.552 3.901 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccnn1CC1CCC1 ZINC000924776355 931533734 /nfs/dbraw/zinc/53/37/34/931533734.db2.gz LUQXZCGJVVAOEU-OALUTQOASA-N 2 1 382.552 3.755 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccnn1CC1CCC1 ZINC000924776355 931533737 /nfs/dbraw/zinc/53/37/37/931533737.db2.gz LUQXZCGJVVAOEU-OALUTQOASA-N 2 1 382.552 3.755 20 0 GHADMP CC[C@H]1c2ccsc2CCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000557596578 931564458 /nfs/dbraw/zinc/56/44/58/931564458.db2.gz SVKIRCPIJKNLEU-FQEVSTJZSA-N 2 1 389.609 3.780 20 0 GHADMP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)n(C)n1 ZINC000925036098 931619787 /nfs/dbraw/zinc/61/97/87/931619787.db2.gz AHRYTNJVNOMCSF-IFMALSPDSA-N 2 1 399.583 3.546 20 0 GHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000925044296 931622768 /nfs/dbraw/zinc/62/27/68/931622768.db2.gz ZXRMKMUAKFFHDQ-LVIWNVNYSA-N 2 1 387.572 3.589 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C[C@@H]([NH3+])C1 ZINC000925513463 931808764 /nfs/dbraw/zinc/80/87/64/931808764.db2.gz GRGTYZWPFZXTGK-DYXWJJEUSA-N 2 1 386.561 3.675 20 0 GHADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000558165712 931868049 /nfs/dbraw/zinc/86/80/49/931868049.db2.gz NTAAOXILWZBTLC-HNNXBMFYSA-N 2 1 377.916 3.925 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000925781661 931901275 /nfs/dbraw/zinc/90/12/75/931901275.db2.gz JFCMIQUKHQRRSG-BHYGNILZSA-N 2 1 386.458 3.669 20 0 GHADMP O=C(Nc1ccc(-c2ccco2)cc1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926102723 932046008 /nfs/dbraw/zinc/04/60/08/932046008.db2.gz BNPRFMASMHBJQM-HDICACEKSA-N 2 1 398.482 3.518 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H]2CCC[C@H]21 ZINC000796746587 932052271 /nfs/dbraw/zinc/05/22/71/932052271.db2.gz UBLMSTHUCXCGMG-QHAWAJNXSA-N 2 1 387.568 3.716 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000796762453 932058079 /nfs/dbraw/zinc/05/80/79/932058079.db2.gz NWVFFNRBCIDNRR-HQNXYIODSA-N 2 1 385.596 3.663 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000796762453 932058083 /nfs/dbraw/zinc/05/80/83/932058083.db2.gz NWVFFNRBCIDNRR-HQNXYIODSA-N 3 1 385.596 3.663 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000796762453 932058090 /nfs/dbraw/zinc/05/80/90/932058090.db2.gz NWVFFNRBCIDNRR-HQNXYIODSA-N 3 1 385.596 3.663 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccnc2)cc1 ZINC000926128220 932058676 /nfs/dbraw/zinc/05/86/76/932058676.db2.gz ZUHONVWPFQWMDW-LOSJGSFVSA-N 2 1 387.527 3.836 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000796887997 932098817 /nfs/dbraw/zinc/09/88/17/932098817.db2.gz JUUNXSSLVUYENA-TWMKSMIVSA-N 2 1 376.850 3.552 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000558738381 932203130 /nfs/dbraw/zinc/20/31/30/932203130.db2.gz PJKFITFORRZWAR-GMAHTHKFSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000558738381 932203133 /nfs/dbraw/zinc/20/31/33/932203133.db2.gz PJKFITFORRZWAR-GMAHTHKFSA-N 2 1 382.548 3.625 20 0 GHADMP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926685453 932271980 /nfs/dbraw/zinc/27/19/80/932271980.db2.gz GVWXLRXEDIMCTG-XOTJWQDKSA-N 2 1 386.580 3.728 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482940 932665568 /nfs/dbraw/zinc/66/55/68/932665568.db2.gz PXFVQJYPDRRSBA-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934046 932821494 /nfs/dbraw/zinc/82/14/94/932821494.db2.gz BQJDRDNHZGEVTF-WMZHIEFXSA-N 2 1 375.520 3.830 20 0 GHADMP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935679 932822889 /nfs/dbraw/zinc/82/28/89/932822889.db2.gz RNVZCMIPWYQJAF-OFVILXPXSA-N 2 1 393.575 3.626 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000560536572 933322322 /nfs/dbraw/zinc/32/23/22/933322322.db2.gz NWUURFDHFBNHJS-JTSKRJEESA-N 2 1 393.531 3.969 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000560536572 933322338 /nfs/dbraw/zinc/32/23/38/933322338.db2.gz NWUURFDHFBNHJS-JTSKRJEESA-N 2 1 393.531 3.969 20 0 GHADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(Br)s3)CCC2)CC1 ZINC000560571165 933354345 /nfs/dbraw/zinc/35/43/45/933354345.db2.gz FYHNOSKIDCTSBG-UHFFFAOYSA-N 2 1 387.387 3.633 20 0 GHADMP C[NH+](C)CCCCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000560694535 933467454 /nfs/dbraw/zinc/46/74/54/933467454.db2.gz WUKFRBHFLDIJJP-HXUWFJFHSA-N 2 1 385.577 3.696 20 0 GHADMP C[NH+](C)CCCCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000560694535 933467459 /nfs/dbraw/zinc/46/74/59/933467459.db2.gz WUKFRBHFLDIJJP-HXUWFJFHSA-N 2 1 385.577 3.696 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)c2)CC1 ZINC001116373364 933516159 /nfs/dbraw/zinc/51/61/59/933516159.db2.gz CGKBWJHNDTWRIG-UKILVPOCSA-N 2 1 393.575 3.692 20 0 GHADMP CC[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC000560745074 933521109 /nfs/dbraw/zinc/52/11/09/933521109.db2.gz YQPLYEPEYDDWNU-CVEARBPZSA-N 2 1 393.881 3.722 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000561014125 933782486 /nfs/dbraw/zinc/78/24/86/933782486.db2.gz KHRFDDJHOHKUCO-HXUWFJFHSA-N 2 1 399.501 3.935 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000561046665 933815461 /nfs/dbraw/zinc/81/54/61/933815461.db2.gz XXYZKDIWLUBALP-HXUWFJFHSA-N 2 1 392.547 3.708 20 0 GHADMP CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089172 933825706 /nfs/dbraw/zinc/82/57/06/933825706.db2.gz JEXVYWAXFRDYLM-ILBGXUMGSA-N 2 1 393.575 3.702 20 0 GHADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089172 933825711 /nfs/dbraw/zinc/82/57/11/933825711.db2.gz JEXVYWAXFRDYLM-ILBGXUMGSA-N 2 1 393.575 3.702 20 0 GHADMP CC(=O)N1CC[C@H](C[NH+](C)C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089172 933825718 /nfs/dbraw/zinc/82/57/18/933825718.db2.gz JEXVYWAXFRDYLM-ILBGXUMGSA-N 2 1 393.575 3.702 20 0 GHADMP Cn1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C(F)(F)F ZINC000930169875 933873677 /nfs/dbraw/zinc/87/36/77/933873677.db2.gz LUWUHTDGFSLJIP-UHFFFAOYSA-N 2 1 381.446 3.572 20 0 GHADMP Cn1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C(F)(F)F ZINC000930169875 933873684 /nfs/dbraw/zinc/87/36/84/933873684.db2.gz LUWUHTDGFSLJIP-UHFFFAOYSA-N 2 1 381.446 3.572 20 0 GHADMP O=C(Nc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1)C1CC1 ZINC001117656513 933973249 /nfs/dbraw/zinc/97/32/49/933973249.db2.gz NXCGAVUCXMUCSI-UHFFFAOYSA-N 2 1 377.532 3.832 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275073 934009384 /nfs/dbraw/zinc/00/93/84/934009384.db2.gz JZJJZNGGJDVVCO-UKILVPOCSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275073 934009389 /nfs/dbraw/zinc/00/93/89/934009389.db2.gz JZJJZNGGJDVVCO-UKILVPOCSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275073 934009396 /nfs/dbraw/zinc/00/93/96/934009396.db2.gz JZJJZNGGJDVVCO-UKILVPOCSA-N 2 1 391.559 3.804 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(Br)cc1F ZINC001118852081 934264181 /nfs/dbraw/zinc/26/41/81/934264181.db2.gz IKYNAIUUJPVECM-UHFFFAOYSA-N 2 1 396.304 3.522 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001119987989 934431295 /nfs/dbraw/zinc/43/12/95/934431295.db2.gz DFPUVZBXNHSTKR-LESCRADOSA-N 2 1 394.357 3.570 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)COc1cc(C)ccc1Cl ZINC001120467222 934466612 /nfs/dbraw/zinc/46/66/12/934466612.db2.gz JIISCFSCCCHYLS-GOSISDBHSA-N 2 1 385.895 3.672 20 0 GHADMP CC(C)(C[NH3+])C1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC001122347691 934856671 /nfs/dbraw/zinc/85/66/71/934856671.db2.gz UOSZHHMOXALSSC-SFHVURJKSA-N 2 1 386.584 3.717 20 0 GHADMP CCCN(C(=O)c1csc([C@H](C)[NH3+])n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001122377299 934859047 /nfs/dbraw/zinc/85/90/47/934859047.db2.gz MOYOVTLDOMFJFV-INIZCTEOSA-N 2 1 386.565 3.680 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000828575859 935666386 /nfs/dbraw/zinc/66/63/86/935666386.db2.gz RBIBXLFBZDSQTJ-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(Cl)n1 ZINC000829597858 935832628 /nfs/dbraw/zinc/83/26/28/935832628.db2.gz BOYJLQVPKFERAI-JENIJYKNSA-N 2 1 392.975 3.546 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041467 935946117 /nfs/dbraw/zinc/94/61/17/935946117.db2.gz BRTODPTZJOUEPA-OYDLWJJNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041467 935946119 /nfs/dbraw/zinc/94/61/19/935946119.db2.gz BRTODPTZJOUEPA-OYDLWJJNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041467 935946122 /nfs/dbraw/zinc/94/61/22/935946122.db2.gz BRTODPTZJOUEPA-OYDLWJJNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001138041467 935946124 /nfs/dbraw/zinc/94/61/24/935946124.db2.gz BRTODPTZJOUEPA-OYDLWJJNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001138048008 935952382 /nfs/dbraw/zinc/95/23/82/935952382.db2.gz HUUDGYJXHGLPBO-XZOQPEGZSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001138048008 935952386 /nfs/dbraw/zinc/95/23/86/935952386.db2.gz HUUDGYJXHGLPBO-XZOQPEGZSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001138048008 935952390 /nfs/dbraw/zinc/95/23/90/935952390.db2.gz HUUDGYJXHGLPBO-XZOQPEGZSA-N 2 1 378.516 3.956 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)C1 ZINC001625849881 1014228520 /nfs/dbraw/zinc/22/85/20/1014228520.db2.gz PNEDPHZVHICYHW-UGKGYDQZSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001625849881 1014228528 /nfs/dbraw/zinc/22/85/28/1014228528.db2.gz PNEDPHZVHICYHW-UGKGYDQZSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001625849881 1014228538 /nfs/dbraw/zinc/22/85/38/1014228538.db2.gz PNEDPHZVHICYHW-UGKGYDQZSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001625849881 1014228546 /nfs/dbraw/zinc/22/85/46/1014228546.db2.gz PNEDPHZVHICYHW-UGKGYDQZSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001625849881 1014228557 /nfs/dbraw/zinc/22/85/57/1014228557.db2.gz PNEDPHZVHICYHW-UGKGYDQZSA-N 2 1 389.559 3.809 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468020494 1015153691 /nfs/dbraw/zinc/15/36/91/1015153691.db2.gz FVEKADAEHVHKMR-CZTZKLFOSA-N 2 1 386.584 3.630 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4CCn5c[nH+]cc5C4)n3)cc2)CC1 ZINC000544948302 1015262561 /nfs/dbraw/zinc/26/25/61/1015262561.db2.gz BTDUEMCHXJCTMB-IBGZPJMESA-N 2 1 377.492 3.895 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000468122943 1015299824 /nfs/dbraw/zinc/29/98/24/1015299824.db2.gz YQLUGIRGVNOQRB-MBSDFSHPSA-N 2 1 386.499 3.812 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000468284597 1015545199 /nfs/dbraw/zinc/54/51/99/1015545199.db2.gz BBKTWGJEPBMAQA-UYAOXDASSA-N 2 1 386.540 3.847 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000468284597 1015545216 /nfs/dbraw/zinc/54/52/16/1015545216.db2.gz BBKTWGJEPBMAQA-UYAOXDASSA-N 2 1 386.540 3.847 20 0 GHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000468993248 1016315191 /nfs/dbraw/zinc/31/51/91/1016315191.db2.gz MVRBGEOZOKMZNV-HOTGVXAUSA-N 2 1 379.346 3.534 20 0 GHADMP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000470996475 1016935853 /nfs/dbraw/zinc/93/58/53/1016935853.db2.gz RMWZGLRMGUBIEP-BGYRXZFFSA-N 2 1 395.572 3.801 20 0 GHADMP CSc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470996475 1016935858 /nfs/dbraw/zinc/93/58/58/1016935858.db2.gz RMWZGLRMGUBIEP-BGYRXZFFSA-N 2 1 395.572 3.801 20 0 GHADMP CSc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470996475 1016935871 /nfs/dbraw/zinc/93/58/71/1016935871.db2.gz RMWZGLRMGUBIEP-BGYRXZFFSA-N 2 1 395.572 3.801 20 0 GHADMP C[N@@H+](CCC(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)Cc1ccccc1 ZINC001221033824 1032245170 /nfs/dbraw/zinc/24/51/70/1032245170.db2.gz KVQHJXUXPLDARZ-HSZRJFAPSA-N 2 1 383.511 3.505 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c2cccs2)CC1 ZINC001221070706 1032265030 /nfs/dbraw/zinc/26/50/30/1032265030.db2.gz ALYYWGYXAPEITG-ZWKOTPCHSA-N 2 1 392.613 3.693 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CCC[NH2+]C[C@@H]3C)c2c1C ZINC001155034531 1032388871 /nfs/dbraw/zinc/38/88/71/1032388871.db2.gz WXZRDNAHMJTONZ-WMLDXEAASA-N 2 1 387.597 3.952 20 0 GHADMP C[C@@H]1C[C@@H](CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C[NH2+]1 ZINC001155101391 1032415997 /nfs/dbraw/zinc/41/59/97/1032415997.db2.gz AXMLWVGWQDIKGG-HUUCEWRRSA-N 2 1 385.581 3.576 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001227435624 1032419094 /nfs/dbraw/zinc/41/90/94/1032419094.db2.gz RUDRIAFHJVVPBQ-FCHUYYIVSA-N 2 1 388.600 3.661 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccco1 ZINC001221546679 1032456462 /nfs/dbraw/zinc/45/64/62/1032456462.db2.gz CEFMWMWCICJEMU-RTWAWAEBSA-N 2 1 398.551 3.545 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)c1Cl ZINC001277230688 1032512658 /nfs/dbraw/zinc/51/26/58/1032512658.db2.gz ZHAXFNAYGONJJY-INIZCTEOSA-N 2 1 398.378 3.582 20 0 GHADMP CC(C)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nn1 ZINC001155357071 1032515235 /nfs/dbraw/zinc/51/52/35/1032515235.db2.gz AMMIAFNOXYZAPT-HXUWFJFHSA-N 2 1 379.552 3.514 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001204182899 1032636030 /nfs/dbraw/zinc/63/60/30/1032636030.db2.gz PRSVNJARKVKWPM-WBVHZDCISA-N 2 1 379.335 3.681 20 0 GHADMP C[C@@H]([NH2+]C1(CN[C@@H](CCC[NH3+])c2ccccc2)CCOCC1)c1ccccc1 ZINC000925512436 1017097464 /nfs/dbraw/zinc/09/74/64/1017097464.db2.gz CNFALIZYACVRPO-OFNKIYASSA-N 2 1 381.564 3.956 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCOCC1 ZINC000925837580 1017158006 /nfs/dbraw/zinc/15/80/06/1017158006.db2.gz QYPHFTSGFAVKNA-RPWUZVMVSA-N 2 1 393.575 3.751 20 0 GHADMP CCS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000926908916 1017324501 /nfs/dbraw/zinc/32/45/01/1017324501.db2.gz LYXJIKINAGIGSX-WIYYLYMNSA-N 2 1 392.609 3.655 20 0 GHADMP C[N@H+]1C[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000626336870 1017455506 /nfs/dbraw/zinc/45/55/06/1017455506.db2.gz KUBKXIVUABPEIX-PKTZIBPZSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@]1(O)C(F)(F)F ZINC001204263240 1032707427 /nfs/dbraw/zinc/70/74/27/1032707427.db2.gz IQSJCYUHNHDUFV-LPHOPBHVSA-N 2 1 388.474 3.542 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001204269615 1032712948 /nfs/dbraw/zinc/71/29/48/1032712948.db2.gz HMTJQTYXHOWSEU-UHFFFAOYSA-N 2 1 399.554 3.864 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC001204269615 1032712965 /nfs/dbraw/zinc/71/29/65/1032712965.db2.gz HMTJQTYXHOWSEU-UHFFFAOYSA-N 2 1 399.554 3.864 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC001204269615 1032712984 /nfs/dbraw/zinc/71/29/84/1032712984.db2.gz HMTJQTYXHOWSEU-UHFFFAOYSA-N 2 1 399.554 3.864 20 0 GHADMP CC(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204269645 1032713539 /nfs/dbraw/zinc/71/35/39/1032713539.db2.gz IWZSMIDCYJEXLM-LJQANCHMSA-N 2 1 386.540 3.903 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2CCN(c3ccc(F)cc3F)CC2)cc1 ZINC001204270606 1032713934 /nfs/dbraw/zinc/71/39/34/1032713934.db2.gz WKAIEMUPXJXELS-UHFFFAOYSA-N 2 1 389.490 3.618 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)C1 ZINC001204291593 1032733569 /nfs/dbraw/zinc/73/35/69/1032733569.db2.gz NEFZXZBKLLUYGT-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)C1 ZINC001204291593 1032733586 /nfs/dbraw/zinc/73/35/86/1032733586.db2.gz NEFZXZBKLLUYGT-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)n2)cc1 ZINC000562838934 1018697436 /nfs/dbraw/zinc/69/74/36/1018697436.db2.gz SMIFQSOJSFJFEX-PZJWPPBQSA-N 2 1 384.524 3.578 20 0 GHADMP COc1cccc([C@@H](C)CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000564707423 1019102782 /nfs/dbraw/zinc/10/27/82/1019102782.db2.gz TYBOOMTZLGULFB-SFHVURJKSA-N 2 1 396.535 3.755 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000565140965 1019168197 /nfs/dbraw/zinc/16/81/97/1019168197.db2.gz DBCBQALMAVIHRW-IRXDYDNUSA-N 2 1 398.950 3.612 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000567364867 1019285801 /nfs/dbraw/zinc/28/58/01/1019285801.db2.gz WUQFNCXRQMIWQV-URVUXULASA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000567364867 1019285810 /nfs/dbraw/zinc/28/58/10/1019285810.db2.gz WUQFNCXRQMIWQV-URVUXULASA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1cccs1 ZINC000567364867 1019285818 /nfs/dbraw/zinc/28/58/18/1019285818.db2.gz WUQFNCXRQMIWQV-URVUXULASA-N 2 1 397.588 3.769 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3Cn3ccnc3)CC2)cc1 ZINC000575896200 1019955381 /nfs/dbraw/zinc/95/53/81/1019955381.db2.gz FWFSILHFKPKUSC-UHFFFAOYSA-N 2 1 392.522 3.867 20 0 GHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158559080 1019985341 /nfs/dbraw/zinc/98/53/41/1019985341.db2.gz VVPWAVXSLQGZCN-BBWFWOEESA-N 2 1 380.964 3.800 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000577647061 1020270777 /nfs/dbraw/zinc/27/07/77/1020270777.db2.gz FTSGIXPPFOWOCF-CWAQXLGLSA-N 2 1 391.559 3.716 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(Cl)c1 ZINC000600946881 1020282807 /nfs/dbraw/zinc/28/28/07/1020282807.db2.gz BXSXQCUVVHZBFK-NRFANRHFSA-N 2 1 385.939 3.855 20 0 GHADMP c1nnc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc2)[nH]1 ZINC000579593449 1020425439 /nfs/dbraw/zinc/42/54/39/1020425439.db2.gz KNJBVMAYGQDGCU-FGZHOGPDSA-N 2 1 387.531 3.723 20 0 GHADMP c1nnc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc2)[nH]1 ZINC000579593449 1020425445 /nfs/dbraw/zinc/42/54/45/1020425445.db2.gz KNJBVMAYGQDGCU-FGZHOGPDSA-N 2 1 387.531 3.723 20 0 GHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000579593534 1020425604 /nfs/dbraw/zinc/42/56/04/1020425604.db2.gz QBNLKJIPQHRECM-KRWDZBQOSA-N 2 1 375.314 3.609 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000191473911 1020769991 /nfs/dbraw/zinc/76/99/91/1020769991.db2.gz KLYQJJPZLIIEHK-QGZVFWFLSA-N 2 1 380.330 3.654 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000191473911 1020769997 /nfs/dbraw/zinc/76/99/97/1020769997.db2.gz KLYQJJPZLIIEHK-QGZVFWFLSA-N 2 1 380.330 3.654 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnn3CC3CCC3)CC2)cs1 ZINC000631068492 1020856362 /nfs/dbraw/zinc/85/63/62/1020856362.db2.gz DTIBAIBQYPGWTF-UHFFFAOYSA-N 2 1 387.597 3.704 20 0 GHADMP Cc1cc(C)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001204522311 1032947341 /nfs/dbraw/zinc/94/73/41/1032947341.db2.gz VDDSGTYFIHBELX-HSZRJFAPSA-N 2 1 379.548 3.954 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c2ccccc2)[nH]1 ZINC000639236846 1021067609 /nfs/dbraw/zinc/06/76/09/1021067609.db2.gz YDYUPSLDYQRGMD-PMVMPFDFSA-N 2 1 387.531 3.894 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c2ccccc2)[nH]1 ZINC000639236846 1021067615 /nfs/dbraw/zinc/06/76/15/1021067615.db2.gz YDYUPSLDYQRGMD-PMVMPFDFSA-N 2 1 387.531 3.894 20 0 GHADMP c1cn(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)cn2)cn1 ZINC000834501694 1021227891 /nfs/dbraw/zinc/22/78/91/1021227891.db2.gz HPXLZQRCSMOFAF-VJBWXMMDSA-N 2 1 387.531 3.800 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000834502502 1021228844 /nfs/dbraw/zinc/22/88/44/1021228844.db2.gz QKULITDUXOQOJF-JLLPCOHGSA-N 2 1 380.532 3.761 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccncc2O)CC3)c1 ZINC001140274998 1021301488 /nfs/dbraw/zinc/30/14/88/1021301488.db2.gz ORTKOUXOQVZGAA-UHFFFAOYSA-N 2 1 381.520 3.674 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001204651694 1033012711 /nfs/dbraw/zinc/01/27/11/1033012711.db2.gz BWIKLMPFWIPJMF-UHFFFAOYSA-N 2 1 393.531 3.745 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)CC[NH+]1C ZINC000679087194 1021959537 /nfs/dbraw/zinc/95/95/37/1021959537.db2.gz RMCHUOPHRHEHLJ-NUJGCVRESA-N 2 1 376.520 3.533 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000679087194 1021959542 /nfs/dbraw/zinc/95/95/42/1021959542.db2.gz RMCHUOPHRHEHLJ-NUJGCVRESA-N 2 1 376.520 3.533 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000679087194 1021959545 /nfs/dbraw/zinc/95/95/45/1021959545.db2.gz RMCHUOPHRHEHLJ-NUJGCVRESA-N 2 1 376.520 3.533 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000679321042 1021986297 /nfs/dbraw/zinc/98/62/97/1021986297.db2.gz QRLOFZPLRSTPMA-UYAOXDASSA-N 2 1 383.536 3.762 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681753423 1022324322 /nfs/dbraw/zinc/32/43/22/1022324322.db2.gz UUGWOSMZQWRGIT-XMMPIXPASA-N 2 1 377.532 3.740 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681753423 1022324340 /nfs/dbraw/zinc/32/43/40/1022324340.db2.gz UUGWOSMZQWRGIT-XMMPIXPASA-N 2 1 377.532 3.740 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681753423 1022324352 /nfs/dbraw/zinc/32/43/52/1022324352.db2.gz UUGWOSMZQWRGIT-XMMPIXPASA-N 2 1 377.532 3.740 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681753423 1022324366 /nfs/dbraw/zinc/32/43/66/1022324366.db2.gz UUGWOSMZQWRGIT-XMMPIXPASA-N 2 1 377.532 3.740 20 0 GHADMP COCCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC001204803557 1033096936 /nfs/dbraw/zinc/09/69/36/1033096936.db2.gz MXMUWJLTBIHUNG-UHFFFAOYSA-N 2 1 384.520 3.793 20 0 GHADMP C[N@H+](CCCO)C1CC[NH+](CC(C)(C)c2ccc(Br)cc2)CC1 ZINC001204815844 1033102852 /nfs/dbraw/zinc/10/28/52/1033102852.db2.gz CWKHHQWTCDDUDE-UHFFFAOYSA-N 2 1 383.374 3.505 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+](CC(C)(C)c2ccc(Br)cc2)CC1 ZINC001204815844 1033102861 /nfs/dbraw/zinc/10/28/61/1033102861.db2.gz CWKHHQWTCDDUDE-UHFFFAOYSA-N 2 1 383.374 3.505 20 0 GHADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3C(F)(F)F)C[C@H]21 ZINC001204919281 1033165801 /nfs/dbraw/zinc/16/58/01/1033165801.db2.gz XICUGBOPXGQHIT-LDLYASANSA-N 2 1 376.422 3.921 20 0 GHADMP CCOc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001138097578 1024070329 /nfs/dbraw/zinc/07/03/29/1024070329.db2.gz YNAPMVSBSPCGDG-QFIPXVFZSA-N 2 1 395.547 3.736 20 0 GHADMP CCOc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001138099113 1024074886 /nfs/dbraw/zinc/07/48/86/1024074886.db2.gz KIMSRLHSDPSZRC-UHFFFAOYSA-N 2 1 395.547 3.595 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(F)c1 ZINC001141194880 1024085558 /nfs/dbraw/zinc/08/55/58/1024085558.db2.gz RCIOCSRIDSTXTH-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP CCc1ccccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001141224884 1024195579 /nfs/dbraw/zinc/19/55/79/1024195579.db2.gz PWWGAHRPJSPPFP-HSZRJFAPSA-N 2 1 379.548 3.900 20 0 GHADMP C[N@H+]1CCc2cc(O[C@@H]3CCCN(Cc4cnc(Cl)s4)C3)ccc2C1 ZINC001228944953 1033193326 /nfs/dbraw/zinc/19/33/26/1033193326.db2.gz QFJFRCMNLMRYBD-QGZVFWFLSA-N 2 1 377.941 3.828 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)cc1 ZINC000831077412 1024342521 /nfs/dbraw/zinc/34/25/21/1024342521.db2.gz LIYSREZXCCENKI-KUHUBIRLSA-N 2 1 397.910 3.805 20 0 GHADMP COc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001141279895 1024376308 /nfs/dbraw/zinc/37/63/08/1024376308.db2.gz WPNLBCWDOQBVEL-UHFFFAOYSA-N 2 1 399.510 3.726 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)c1 ZINC001138433719 1024838700 /nfs/dbraw/zinc/83/87/00/1024838700.db2.gz WQJRPDFXZLUOSH-GPXNEJASSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)c1 ZINC001138433719 1024838717 /nfs/dbraw/zinc/83/87/17/1024838717.db2.gz WQJRPDFXZLUOSH-GPXNEJASSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001138433719 1024838735 /nfs/dbraw/zinc/83/87/35/1024838735.db2.gz WQJRPDFXZLUOSH-GPXNEJASSA-N 2 1 396.579 3.964 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)c1 ZINC001138433719 1024838744 /nfs/dbraw/zinc/83/87/44/1024838744.db2.gz WQJRPDFXZLUOSH-GPXNEJASSA-N 2 1 396.579 3.964 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)cc1 ZINC001138549146 1024996041 /nfs/dbraw/zinc/99/60/41/1024996041.db2.gz LWOPOQRMQIDTIY-UPVQGACJSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)cc1 ZINC001138549146 1024996044 /nfs/dbraw/zinc/99/60/44/1024996044.db2.gz LWOPOQRMQIDTIY-UPVQGACJSA-N 2 1 388.515 3.518 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(-n3cnc4ccccc43)cc1)CC2 ZINC001138585238 1025066080 /nfs/dbraw/zinc/06/60/80/1025066080.db2.gz PDVHVIIPJBKQHT-UHFFFAOYSA-N 2 1 389.503 3.656 20 0 GHADMP CCCn1ncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1C ZINC001138635765 1025141665 /nfs/dbraw/zinc/14/16/65/1025141665.db2.gz JYFZBJPQGNCGHJ-QHCPKHFHSA-N 2 1 396.579 3.857 20 0 GHADMP C[N@H+](Cc1ccc(C(F)(F)F)nn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001141499031 1025272815 /nfs/dbraw/zinc/27/28/15/1025272815.db2.gz PTZHVSJJVLWVMR-UHFFFAOYSA-N 2 1 378.442 3.839 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257104 1025376861 /nfs/dbraw/zinc/37/68/61/1025376861.db2.gz DBELWGBNKAKGEQ-UXHICEINSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257104 1025376872 /nfs/dbraw/zinc/37/68/72/1025376872.db2.gz DBELWGBNKAKGEQ-UXHICEINSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257597 1025378698 /nfs/dbraw/zinc/37/86/98/1025378698.db2.gz KEAQMUOYUPUKGZ-OALUTQOASA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257597 1025378714 /nfs/dbraw/zinc/37/87/14/1025378714.db2.gz KEAQMUOYUPUKGZ-OALUTQOASA-N 2 1 376.545 3.551 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@H]1Sc1ccccc1 ZINC000838950401 1025468359 /nfs/dbraw/zinc/46/83/59/1025468359.db2.gz NJQIYWCOIHNUTO-FVTFTPSCSA-N 2 1 390.593 3.558 20 0 GHADMP O=C(NCC[NH2+]C(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001161896848 1025480562 /nfs/dbraw/zinc/48/05/62/1025480562.db2.gz YDYQUYCHWMTPEJ-HSZRJFAPSA-N 2 1 391.559 3.889 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](CC)C2CCCCC2)c1C ZINC001141563313 1025554084 /nfs/dbraw/zinc/55/40/84/1025554084.db2.gz BAXLZEGNVQCFQV-UHFFFAOYSA-N 2 1 376.589 3.858 20 0 GHADMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001162456601 1025752901 /nfs/dbraw/zinc/75/29/01/1025752901.db2.gz XMXOGBIEUGRDJP-DLBZAZTESA-N 2 1 389.620 3.791 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]C/C=C/c2ccc(F)cc2F)[C@H](c2ccccc2)C1 ZINC001461034065 1069349416 /nfs/dbraw/zinc/34/94/16/1069349416.db2.gz DLQQKZXECJZPOT-LKYAVPRHSA-N 2 1 385.502 3.946 20 0 GHADMP c1c2ccccc2oc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139063684 1025859843 /nfs/dbraw/zinc/85/98/43/1025859843.db2.gz ZAUXYBQIUSEVGW-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP c1c2ccccc2oc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139063684 1025859857 /nfs/dbraw/zinc/85/98/57/1025859857.db2.gz ZAUXYBQIUSEVGW-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP c1c2ccccc2oc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139063684 1025859877 /nfs/dbraw/zinc/85/98/77/1025859877.db2.gz ZAUXYBQIUSEVGW-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP CCn1ccc2ccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc21 ZINC001139121848 1025933908 /nfs/dbraw/zinc/93/39/08/1025933908.db2.gz DESUYHCVSSCPST-UHFFFAOYSA-N 2 1 377.536 3.512 20 0 GHADMP Cc1c(Cl)nnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1C ZINC001162929540 1025969981 /nfs/dbraw/zinc/96/99/81/1025969981.db2.gz NALVTVRUSSBQQI-LJQANCHMSA-N 2 1 399.970 3.661 20 0 GHADMP Cc1c2cc[nH]c2ncc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933769 1025972614 /nfs/dbraw/zinc/97/26/14/1025972614.db2.gz HYMQGPDPFGOSLN-HXUWFJFHSA-N 2 1 389.547 3.737 20 0 GHADMP COc1cccc(F)c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162936021 1025973255 /nfs/dbraw/zinc/97/32/55/1025973255.db2.gz YXKCPAXOMJMNDD-LJQANCHMSA-N 2 1 383.511 3.748 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001141635411 1025976399 /nfs/dbraw/zinc/97/63/99/1025976399.db2.gz AQHWAASSUYCSTC-OAQYLSRUSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001141635411 1025976407 /nfs/dbraw/zinc/97/64/07/1025976407.db2.gz AQHWAASSUYCSTC-OAQYLSRUSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001141635411 1025976412 /nfs/dbraw/zinc/97/64/12/1025976412.db2.gz AQHWAASSUYCSTC-OAQYLSRUSA-N 2 1 393.575 3.852 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1cc3c(c[nH+]1)C(C)(C)C(=O)N3)CC21CC[NH2+]CC1 ZINC001163031459 1026014960 /nfs/dbraw/zinc/01/49/60/1026014960.db2.gz PZGQPDIYRKMWOB-LJQANCHMSA-N 2 1 376.504 3.798 20 0 GHADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277238 1026125690 /nfs/dbraw/zinc/12/56/90/1026125690.db2.gz PMKWXAIGYUAJDS-WOJBJXKFSA-N 2 1 395.547 3.630 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277238 1026125696 /nfs/dbraw/zinc/12/56/96/1026125696.db2.gz PMKWXAIGYUAJDS-WOJBJXKFSA-N 2 1 395.547 3.630 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277238 1026125707 /nfs/dbraw/zinc/12/57/07/1026125707.db2.gz PMKWXAIGYUAJDS-WOJBJXKFSA-N 2 1 395.547 3.630 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H](C)C1 ZINC001163369442 1026163314 /nfs/dbraw/zinc/16/33/14/1026163314.db2.gz FJAMWHRLDLBVLC-KSSFIOAISA-N 2 1 398.929 3.869 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(n4ccc5ccccc54)CC3)s2)CC1 ZINC001139325075 1026184539 /nfs/dbraw/zinc/18/45/39/1026184539.db2.gz AWDQSRUQWIAREN-UHFFFAOYSA-N 2 1 395.576 3.687 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CCC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333012 1026193343 /nfs/dbraw/zinc/19/33/43/1026193343.db2.gz JQTWXJNEFXKAAG-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333012 1026193352 /nfs/dbraw/zinc/19/33/52/1026193352.db2.gz JQTWXJNEFXKAAG-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333012 1026193357 /nfs/dbraw/zinc/19/33/57/1026193357.db2.gz JQTWXJNEFXKAAG-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(-c5cnccn5)cc4)C[C@@H]3C2)c1 ZINC001139387813 1026255529 /nfs/dbraw/zinc/25/55/29/1026255529.db2.gz RZCAOJHKCLKAEN-WOJBJXKFSA-N 2 1 376.529 3.769 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001141701344 1026285941 /nfs/dbraw/zinc/28/59/41/1026285941.db2.gz ASIYCBPQMFRENF-ROUUACIJSA-N 2 1 383.536 3.749 20 0 GHADMP c1cc(-c2ccc(CN3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)cn2)cs1 ZINC001139498807 1026356522 /nfs/dbraw/zinc/35/65/22/1026356522.db2.gz RIULWBOJMDRWMW-OYRHEFFESA-N 2 1 376.529 3.769 20 0 GHADMP C[C@H]1CC[C@@H](C[NH3+])N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164075582 1026403481 /nfs/dbraw/zinc/40/34/81/1026403481.db2.gz XJLVTKCSBQIOLN-HOTGVXAUSA-N 2 1 399.608 3.730 20 0 GHADMP Fc1cccc2nc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn21 ZINC001139572311 1026441703 /nfs/dbraw/zinc/44/17/03/1026441703.db2.gz NDMAWXPESFMWQD-UXHICEINSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn21 ZINC001139572311 1026441706 /nfs/dbraw/zinc/44/17/06/1026441706.db2.gz NDMAWXPESFMWQD-UXHICEINSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)cn21 ZINC001139572311 1026441712 /nfs/dbraw/zinc/44/17/12/1026441712.db2.gz NDMAWXPESFMWQD-UXHICEINSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cn21 ZINC001139572311 1026441716 /nfs/dbraw/zinc/44/17/16/1026441716.db2.gz NDMAWXPESFMWQD-UXHICEINSA-N 2 1 378.495 3.817 20 0 GHADMP C[NH+](C)C1(CNc2ccc(OC(F)(F)C(F)(F)F)cc2)CC[NH+](C)CC1 ZINC001164212840 1026454408 /nfs/dbraw/zinc/45/44/08/1026454408.db2.gz GNJUXUAYMHSRQG-UHFFFAOYSA-N 2 1 381.389 3.658 20 0 GHADMP FC(F)(F)c1c[nH+]ccc1N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001164234487 1026458688 /nfs/dbraw/zinc/45/86/88/1026458688.db2.gz PMPILJZCDRWRCU-UHFFFAOYSA-N 2 1 379.426 3.829 20 0 GHADMP c1cc(-c2nc(CNCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)cs2)cs1 ZINC001461120913 1069400793 /nfs/dbraw/zinc/40/07/93/1069400793.db2.gz LWZBLXANXBFUEG-UHFFFAOYSA-N 2 1 399.589 3.569 20 0 GHADMP C[N@@H+](Cc1ccc(N(CC[NH3+])Cc2ccc(Cl)cc2Cl)nc1)C1CC1 ZINC001165108200 1026610865 /nfs/dbraw/zinc/61/08/65/1026610865.db2.gz FYYZATJCRUPAHF-UHFFFAOYSA-N 2 1 379.335 3.948 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc([C@@H]3CCCC[NH+]3CC)cn2)CC1 ZINC001165113329 1026614414 /nfs/dbraw/zinc/61/44/14/1026614414.db2.gz QKBUPEQQBNQACA-VXKWHMMOSA-N 2 1 386.584 3.708 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN(c2ccc([C@@H]3CCCC[N@@H+]3CC)cn2)CC1 ZINC001165113329 1026614423 /nfs/dbraw/zinc/61/44/23/1026614423.db2.gz QKBUPEQQBNQACA-VXKWHMMOSA-N 2 1 386.584 3.708 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN(c2ccc([C@@H]3CCCC[N@H+]3CC)cn2)CC1 ZINC001165113329 1026614433 /nfs/dbraw/zinc/61/44/33/1026614433.db2.gz QKBUPEQQBNQACA-VXKWHMMOSA-N 2 1 386.584 3.708 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)nc1 ZINC001165124100 1026619721 /nfs/dbraw/zinc/61/97/21/1026619721.db2.gz HMLWVDLYRCNJPI-QFIPXVFZSA-N 2 1 376.548 3.951 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1ccc(F)c3ccccc13)CCC2 ZINC001139891224 1026708242 /nfs/dbraw/zinc/70/82/42/1026708242.db2.gz UZMARMIXFHXSLD-UHFFFAOYSA-N 2 1 396.510 3.660 20 0 GHADMP Clc1ncnc2[nH]cc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c21 ZINC001139943449 1026749927 /nfs/dbraw/zinc/74/99/27/1026749927.db2.gz BXQXIJMRGCWENV-ZWKOTPCHSA-N 2 1 395.938 3.907 20 0 GHADMP Clc1ncnc2[nH]cc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c21 ZINC001139943449 1026749938 /nfs/dbraw/zinc/74/99/38/1026749938.db2.gz BXQXIJMRGCWENV-ZWKOTPCHSA-N 2 1 395.938 3.907 20 0 GHADMP Clc1ncnc2[nH]cc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c21 ZINC001139943449 1026749947 /nfs/dbraw/zinc/74/99/47/1026749947.db2.gz BXQXIJMRGCWENV-ZWKOTPCHSA-N 2 1 395.938 3.907 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1ccc3c(cnn3C)c1)CC2 ZINC001139949350 1026753831 /nfs/dbraw/zinc/75/38/31/1026753831.db2.gz IRDZDQYXFKWKIJ-UHFFFAOYSA-N 2 1 393.535 3.809 20 0 GHADMP Cc1noc(C)c1CN1CCCC12CC[NH+](Cc1ccc3c(cnn3C)c1)CC2 ZINC001139949350 1026753837 /nfs/dbraw/zinc/75/38/37/1026753837.db2.gz IRDZDQYXFKWKIJ-UHFFFAOYSA-N 2 1 393.535 3.809 20 0 GHADMP CN(CC[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1)C(=O)OC(C)(C)C ZINC001202990532 1026780403 /nfs/dbraw/zinc/78/04/03/1026780403.db2.gz DLNXTWHYKGKDRX-IBGZPJMESA-N 2 1 391.556 3.823 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001140026547 1026815403 /nfs/dbraw/zinc/81/54/03/1026815403.db2.gz ZSOGFMOTNDFMAW-UHFFFAOYSA-N 2 1 386.503 3.633 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001140026547 1026815412 /nfs/dbraw/zinc/81/54/12/1026815412.db2.gz ZSOGFMOTNDFMAW-UHFFFAOYSA-N 2 1 386.503 3.633 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c(C)cc1O ZINC001140200223 1026973587 /nfs/dbraw/zinc/97/35/87/1026973587.db2.gz SSJIXQGDFRINCV-UHFFFAOYSA-N 2 1 395.547 3.519 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC001140217517 1026994668 /nfs/dbraw/zinc/99/46/68/1026994668.db2.gz NSNAZVORRQALTG-GHTZIAJQSA-N 2 1 391.987 3.899 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001209774273 1027179960 /nfs/dbraw/zinc/17/99/60/1027179960.db2.gz JIMQRWUNUGKRDG-HXUWFJFHSA-N 2 1 383.536 3.601 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccccc4N(C)C)CC3)C2)cc1 ZINC001209778135 1027184957 /nfs/dbraw/zinc/18/49/57/1027184957.db2.gz UWHUAIKTCFBADY-UHFFFAOYSA-N 2 1 393.575 3.928 20 0 GHADMP CC1(C)C[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000840105429 1027198739 /nfs/dbraw/zinc/19/87/39/1027198739.db2.gz ALILGUMKTKJAHX-BHIFYINESA-N 2 1 381.564 3.577 20 0 GHADMP CC[NH+](CC)Cc1ccc(Nc2cc(N3C[C@@H](C)O[C@@H](C)C3)nc(C)[nH+]2)cc1 ZINC001209821824 1027221082 /nfs/dbraw/zinc/22/10/82/1027221082.db2.gz BFYPNLGAALBHPR-CALCHBBNSA-N 2 1 383.540 3.984 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccccc1C)CC2 ZINC001203702357 1027542381 /nfs/dbraw/zinc/54/23/81/1027542381.db2.gz YMAOFRPWDZUQAL-QHCPKHFHSA-N 2 1 379.548 3.893 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC001461257631 1069464754 /nfs/dbraw/zinc/46/47/54/1069464754.db2.gz PJHJHZGTPBZVCO-GJZGRUSLSA-N 2 1 383.330 3.573 20 0 GHADMP Cc1cc(F)c(CNCc2c(Cl)cccc2N2CCN(C)CC2)c(F)c1 ZINC001203809597 1027623064 /nfs/dbraw/zinc/62/30/64/1027623064.db2.gz KSCIJQNMGNFZRM-UHFFFAOYSA-N 2 1 379.882 3.968 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001211068302 1027773240 /nfs/dbraw/zinc/77/32/40/1027773240.db2.gz FWWJKLYRCQYYBE-FXAWDEMLSA-N 2 1 394.991 3.897 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccc5ccccc54)C3)O2)CC1 ZINC001203984124 1027781643 /nfs/dbraw/zinc/78/16/43/1027781643.db2.gz KTKUJEIFRFWTOK-ILBGXUMGSA-N 2 1 393.575 3.601 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4cccc5ccccc54)C3)O2)CC1 ZINC001203984124 1027781650 /nfs/dbraw/zinc/78/16/50/1027781650.db2.gz KTKUJEIFRFWTOK-ILBGXUMGSA-N 2 1 393.575 3.601 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccc5ccccc54)C3)O2)CC1 ZINC001203984124 1027781659 /nfs/dbraw/zinc/78/16/59/1027781659.db2.gz KTKUJEIFRFWTOK-ILBGXUMGSA-N 2 1 393.575 3.601 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001142016665 1027890085 /nfs/dbraw/zinc/89/00/85/1027890085.db2.gz OLBTWTLISLIBMU-WIYYLYMNSA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001142016665 1027890104 /nfs/dbraw/zinc/89/01/04/1027890104.db2.gz OLBTWTLISLIBMU-WIYYLYMNSA-N 2 1 377.548 3.807 20 0 GHADMP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204129086 1027901846 /nfs/dbraw/zinc/90/18/46/1027901846.db2.gz GVOMJGWNLHPXLS-NNWRFLSQSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204129086 1027901850 /nfs/dbraw/zinc/90/18/50/1027901850.db2.gz GVOMJGWNLHPXLS-NNWRFLSQSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204129086 1027901857 /nfs/dbraw/zinc/90/18/57/1027901857.db2.gz GVOMJGWNLHPXLS-NNWRFLSQSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204129086 1027901861 /nfs/dbraw/zinc/90/18/61/1027901861.db2.gz GVOMJGWNLHPXLS-NNWRFLSQSA-N 2 1 395.547 3.918 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841290417 1028379278 /nfs/dbraw/zinc/37/92/78/1028379278.db2.gz DYOHOASNCYEZDX-GOSISDBHSA-N 2 1 396.535 3.720 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001142275269 1028550305 /nfs/dbraw/zinc/55/03/05/1028550305.db2.gz GKLCDTWUQAPZTA-SJBKTWHCSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001142275269 1028550319 /nfs/dbraw/zinc/55/03/19/1028550319.db2.gz GKLCDTWUQAPZTA-SJBKTWHCSA-N 2 1 385.596 3.914 20 0 GHADMP CSc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(Cl)n1 ZINC001142422792 1028870236 /nfs/dbraw/zinc/87/02/36/1028870236.db2.gz KDJXSOSMFPZUMT-UHFFFAOYSA-N 2 1 392.956 3.933 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@H](C)C1 ZINC000841762798 1028920811 /nfs/dbraw/zinc/92/08/11/1028920811.db2.gz LOJCNMMFNJZRKT-UAFMIMERSA-N 2 1 397.604 3.501 20 0 GHADMP CN1CCN(c2cc[nH+]cc2Nc2cccc(C[NH+]3CCCCC3)c2F)CC1 ZINC001215675712 1029341550 /nfs/dbraw/zinc/34/15/50/1029341550.db2.gz OXOUPHYMHBDSSE-UHFFFAOYSA-N 2 1 383.515 3.702 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671835 1029475839 /nfs/dbraw/zinc/47/58/39/1029475839.db2.gz ZHCOOWYAACHIRW-KNQAVFIVSA-N 2 1 396.531 3.524 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842671835 1029475840 /nfs/dbraw/zinc/47/58/40/1029475840.db2.gz ZHCOOWYAACHIRW-KNQAVFIVSA-N 2 1 396.531 3.524 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842695241 1029505673 /nfs/dbraw/zinc/50/56/73/1029505673.db2.gz YNIZETMYZTWYKV-ICSRJNTNSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842695241 1029505679 /nfs/dbraw/zinc/50/56/79/1029505679.db2.gz YNIZETMYZTWYKV-ICSRJNTNSA-N 2 1 387.568 3.934 20 0 GHADMP C[N@@H+](CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)C1CCC([NH3+])CC1 ZINC000843353864 1029933416 /nfs/dbraw/zinc/93/34/16/1029933416.db2.gz NVKLYJFGCMJBIJ-UHFFFAOYSA-N 2 1 375.532 3.689 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000843363681 1029940854 /nfs/dbraw/zinc/94/08/54/1029940854.db2.gz IYHYORZMEBZRRZ-QFIPXVFZSA-N 2 1 397.950 3.621 20 0 GHADMP CSc1ccc2cc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)c(Cl)nc2c1 ZINC000843387596 1029956869 /nfs/dbraw/zinc/95/68/69/1029956869.db2.gz GZOSESSDYRXXLX-MRXNPFEDSA-N 2 1 391.968 3.797 20 0 GHADMP CSc1ccc2cc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)c(Cl)nc2c1 ZINC000843387596 1029956877 /nfs/dbraw/zinc/95/68/77/1029956877.db2.gz GZOSESSDYRXXLX-MRXNPFEDSA-N 2 1 391.968 3.797 20 0 GHADMP CSc1ccc2cc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)c(Cl)nc2c1 ZINC000843387570 1029957292 /nfs/dbraw/zinc/95/72/92/1029957292.db2.gz GZOSESSDYRXXLX-INIZCTEOSA-N 2 1 391.968 3.797 20 0 GHADMP CSc1ccc2cc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)c(Cl)nc2c1 ZINC000843387570 1029957298 /nfs/dbraw/zinc/95/72/98/1029957298.db2.gz GZOSESSDYRXXLX-INIZCTEOSA-N 2 1 391.968 3.797 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cc(C(C)C)c(OC)cc1C)CC[NH2+]CC2 ZINC001222225899 1030018892 /nfs/dbraw/zinc/01/88/92/1030018892.db2.gz JFUVFFBPEVUCSE-FQEVSTJZSA-N 2 1 388.552 3.634 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(C(C)C)c(OC)cc1C)CC[NH2+]CC2 ZINC001222225899 1030018904 /nfs/dbraw/zinc/01/89/04/1030018904.db2.gz JFUVFFBPEVUCSE-FQEVSTJZSA-N 2 1 388.552 3.634 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)cc1OC(F)F ZINC001222316094 1030065715 /nfs/dbraw/zinc/06/57/15/1030065715.db2.gz SMAOBQRVQDASOW-SFHVURJKSA-N 2 1 376.394 3.998 20 0 GHADMP C[NH+](C)CC1(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CCCC1 ZINC001222573563 1030203076 /nfs/dbraw/zinc/20/30/76/1030203076.db2.gz BDTMGXDACMSTIR-HSZRJFAPSA-N 3 1 399.623 3.912 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CCCC1 ZINC001222573563 1030203090 /nfs/dbraw/zinc/20/30/90/1030203090.db2.gz BDTMGXDACMSTIR-HSZRJFAPSA-N 3 1 399.623 3.912 20 0 GHADMP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC001149519403 1030204785 /nfs/dbraw/zinc/20/47/85/1030204785.db2.gz QFEMRXOJHXQHSU-FCHUYYIVSA-N 2 1 383.580 3.764 20 0 GHADMP COc1ncc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1C ZINC001222577380 1030206799 /nfs/dbraw/zinc/20/67/99/1030206799.db2.gz ZIIYWNSJXKTNIX-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1ncc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1C ZINC001222577380 1030206809 /nfs/dbraw/zinc/20/68/09/1030206809.db2.gz ZIIYWNSJXKTNIX-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1O ZINC001222576610 1030207537 /nfs/dbraw/zinc/20/75/37/1030207537.db2.gz UPJZOZVORPDVLW-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP COc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1O ZINC001222576610 1030207548 /nfs/dbraw/zinc/20/75/48/1030207548.db2.gz UPJZOZVORPDVLW-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP c1[nH]nc2cc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccc12 ZINC001222590043 1030213854 /nfs/dbraw/zinc/21/38/54/1030213854.db2.gz CQEWMNOPZFMBPF-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1[nH]c2cnccc2c1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591622 1030219165 /nfs/dbraw/zinc/21/91/65/1030219165.db2.gz XKVWYWJMFAJJCJ-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222596145 1030221160 /nfs/dbraw/zinc/22/11/60/1030221160.db2.gz QQVMLYQBEXPNGA-ZEQRLZLVSA-N 2 1 375.560 3.730 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([NH2+]C3CCC3)CC2)C1 ZINC001222667667 1030269872 /nfs/dbraw/zinc/26/98/72/1030269872.db2.gz RUFFSWFHUKBZLT-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)c1ccccc1Cl ZINC001223455693 1030582118 /nfs/dbraw/zinc/58/21/18/1030582118.db2.gz YRZJXTNDONOYLN-HSALFYBXSA-N 2 1 392.975 3.601 20 0 GHADMP [NH3+][C@H](Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)c1ccccc1Cl ZINC001217733603 1030635688 /nfs/dbraw/zinc/63/56/88/1030635688.db2.gz RTGWZXGOAAJCRH-QFBILLFUSA-N 2 1 382.895 3.955 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001217966811 1030693980 /nfs/dbraw/zinc/69/39/80/1030693980.db2.gz DBASCCXUDJKXFP-NBGIEHNGSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001217966811 1030693989 /nfs/dbraw/zinc/69/39/89/1030693989.db2.gz DBASCCXUDJKXFP-NBGIEHNGSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001217966811 1030693995 /nfs/dbraw/zinc/69/39/95/1030693995.db2.gz DBASCCXUDJKXFP-NBGIEHNGSA-N 3 1 393.575 3.899 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001217967649 1030694456 /nfs/dbraw/zinc/69/44/56/1030694456.db2.gz SJSDWWAXLCTZPU-VOQZNFBZSA-N 2 1 382.504 3.539 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC001223664751 1030694884 /nfs/dbraw/zinc/69/48/84/1030694884.db2.gz YHVUYCOBXBNSCL-GWOFKNCZSA-N 2 1 386.584 3.534 20 0 GHADMP COc1ccc(OC(C)C)c(COc2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC001218297395 1030876212 /nfs/dbraw/zinc/87/62/12/1030876212.db2.gz YUWRSICXZGBMAU-UHFFFAOYSA-N 2 1 384.520 3.985 20 0 GHADMP COC(=O)C[C@@H]([NH3+])c1cccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001218410516 1030927773 /nfs/dbraw/zinc/92/77/73/1030927773.db2.gz CUXPBHYVTDEHPP-VQTJNVASSA-N 2 1 388.895 3.556 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2C[NH2+]CCC2(F)F)c1-3 ZINC001218453724 1030942107 /nfs/dbraw/zinc/94/21/07/1030942107.db2.gz LBQNVBFRUGSLPQ-SJLPKXTDSA-N 2 1 386.442 3.520 20 0 GHADMP CC(C)c1cccc(NC(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)n1 ZINC001218586256 1030994646 /nfs/dbraw/zinc/99/46/46/1030994646.db2.gz LNCKDVWJTQYDBB-HYBUGGRVSA-N 2 1 392.547 3.645 20 0 GHADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218846889 1031111769 /nfs/dbraw/zinc/11/17/69/1031111769.db2.gz BPFWCKLKIPVAMZ-HXUWFJFHSA-N 2 1 381.520 3.673 20 0 GHADMP CC(C)(C)OC[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218846889 1031111785 /nfs/dbraw/zinc/11/17/85/1031111785.db2.gz BPFWCKLKIPVAMZ-HXUWFJFHSA-N 2 1 381.520 3.673 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224843865 1031144991 /nfs/dbraw/zinc/14/49/91/1031144991.db2.gz DVXFAVWETYQKNB-WTGUMLROSA-N 2 1 394.648 3.799 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001224845868 1031146415 /nfs/dbraw/zinc/14/64/15/1031146415.db2.gz QKPIMVMGAXFLPB-SVFBPWRDSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001224845868 1031146431 /nfs/dbraw/zinc/14/64/31/1031146431.db2.gz QKPIMVMGAXFLPB-SVFBPWRDSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001224845868 1031146437 /nfs/dbraw/zinc/14/64/37/1031146437.db2.gz QKPIMVMGAXFLPB-SVFBPWRDSA-N 2 1 392.632 3.839 20 0 GHADMP c1ccc(C[NH+]2CCO[C@@H](CO[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224956845 1031191633 /nfs/dbraw/zinc/19/16/33/1031191633.db2.gz SXKOCXWZHVYADD-DNQXCXABSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCO[C@@H](CO[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224956845 1031191647 /nfs/dbraw/zinc/19/16/47/1031191647.db2.gz SXKOCXWZHVYADD-DNQXCXABSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224956845 1031191661 /nfs/dbraw/zinc/19/16/61/1031191661.db2.gz SXKOCXWZHVYADD-DNQXCXABSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224956845 1031191673 /nfs/dbraw/zinc/19/16/73/1031191673.db2.gz SXKOCXWZHVYADD-DNQXCXABSA-N 2 1 380.532 3.569 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001153057515 1031443949 /nfs/dbraw/zinc/44/39/49/1031443949.db2.gz DJEHVZUYMHQPAY-VQIMIIECSA-N 2 1 395.950 3.853 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001225757299 1031584380 /nfs/dbraw/zinc/58/43/80/1031584380.db2.gz QKXWLAUWHKUCFM-QFIPXVFZSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001219941208 1031708012 /nfs/dbraw/zinc/70/80/12/1031708012.db2.gz REKPOUTUFVFMKZ-NZQKXSOJSA-N 2 1 377.532 3.753 20 0 GHADMP CC(C)[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001220610686 1032012017 /nfs/dbraw/zinc/01/20/17/1032012017.db2.gz KUJNHKZKJCFTFJ-RTWAWAEBSA-N 2 1 380.621 3.554 20 0 GHADMP CC[NH+]1CCC(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001205341066 1033369962 /nfs/dbraw/zinc/36/99/62/1033369962.db2.gz STNJXEUCVYPSLW-JOCHJYFZSA-N 2 1 382.552 3.594 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCOC[C@@H]2c2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001205341066 1033369984 /nfs/dbraw/zinc/36/99/84/1033369984.db2.gz STNJXEUCVYPSLW-JOCHJYFZSA-N 2 1 382.552 3.594 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001229403200 1033461033 /nfs/dbraw/zinc/46/10/33/1033461033.db2.gz HOYSZQIUBLVNBN-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001229403200 1033461051 /nfs/dbraw/zinc/46/10/51/1033461051.db2.gz HOYSZQIUBLVNBN-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001229403200 1033461065 /nfs/dbraw/zinc/46/10/65/1033461065.db2.gz HOYSZQIUBLVNBN-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)CC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC001205548570 1033464980 /nfs/dbraw/zinc/46/49/80/1033464980.db2.gz XQAUNSPPGPDBIZ-UHFFFAOYSA-N 2 1 379.976 3.777 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc1-2 ZINC001205788065 1033570940 /nfs/dbraw/zinc/57/09/40/1033570940.db2.gz LCBGFRUBOMHIRP-QGZVFWFLSA-N 2 1 394.462 3.890 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)ccc1-2 ZINC001205788065 1033570950 /nfs/dbraw/zinc/57/09/50/1033570950.db2.gz LCBGFRUBOMHIRP-QGZVFWFLSA-N 2 1 394.462 3.890 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC001229619337 1033596575 /nfs/dbraw/zinc/59/65/75/1033596575.db2.gz FQJTUAYCQHOEDL-FCHUYYIVSA-N 2 1 388.600 3.614 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1OC(=O)c1cccs1 ZINC001205997064 1033676152 /nfs/dbraw/zinc/67/61/52/1033676152.db2.gz ZIXCMTRTJWSWPN-NVXWUHKLSA-N 2 1 388.533 3.783 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C[C@H]2c2ccccc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157610057 1033690010 /nfs/dbraw/zinc/69/00/10/1033690010.db2.gz NDCYWQYZFBYYRU-SHBJFUFKSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CCC[C@H]1C[NH3+] ZINC001206035706 1033697090 /nfs/dbraw/zinc/69/70/90/1033697090.db2.gz CTSKLBAUWNZCGZ-XLIONFOSSA-N 2 1 382.504 3.801 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)c(Br)o2)CC1 ZINC001206304408 1033788754 /nfs/dbraw/zinc/78/87/54/1033788754.db2.gz KDLHSRAQRICREI-CYBMUJFWSA-N 2 1 380.124 3.756 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)c(Br)o2)CC1 ZINC001206304408 1033788766 /nfs/dbraw/zinc/78/87/66/1033788766.db2.gz KDLHSRAQRICREI-CYBMUJFWSA-N 2 1 380.124 3.756 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)c(I)c(F)c2)CC1 ZINC001206326917 1033797633 /nfs/dbraw/zinc/79/76/33/1033797633.db2.gz QODIYGUENMKDIY-OAHLLOKOSA-N 2 1 394.247 3.520 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)c(I)c(F)c2)CC1 ZINC001206326917 1033797649 /nfs/dbraw/zinc/79/76/49/1033797649.db2.gz QODIYGUENMKDIY-OAHLLOKOSA-N 2 1 394.247 3.520 20 0 GHADMP Cc1ncn(-c2[nH+]ccc3c2ccn3Cc2ccccc2)c1CSCC[NH3+] ZINC001157962888 1033839470 /nfs/dbraw/zinc/83/94/70/1033839470.db2.gz DHYXCTMQDNJMLI-UHFFFAOYSA-N 2 1 377.517 3.771 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)CC1 ZINC001206500228 1033875830 /nfs/dbraw/zinc/87/58/30/1033875830.db2.gz IVJGAANGXVIRJH-UHFFFAOYSA-N 2 1 392.591 3.570 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)ccc1OC(=O)c1cccs1 ZINC001206549530 1033904615 /nfs/dbraw/zinc/90/46/15/1033904615.db2.gz OBPZDFCQQORDIY-OAQYLSRUSA-N 2 1 388.533 3.927 20 0 GHADMP Cc1ccc(I)cc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206597391 1033919285 /nfs/dbraw/zinc/91/92/85/1033919285.db2.gz BUYGVEDNXFZYGD-QGZVFWFLSA-N 2 1 386.321 3.952 20 0 GHADMP C[NH+](C)Cc1ccc(-c2cnc(O[C@H]3CC[N@@H+](C)C3)c3cccc(O)c23)cc1 ZINC001230176488 1033932090 /nfs/dbraw/zinc/93/20/90/1033932090.db2.gz YQDCGSPUKZYBKI-SFHVURJKSA-N 2 1 377.488 3.752 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001158148154 1033936251 /nfs/dbraw/zinc/93/62/51/1033936251.db2.gz NEYIYGIPJIXVSW-WGSAOQKQSA-N 2 1 383.515 3.883 20 0 GHADMP C[N@@H+](Cc1ccc(CN2CCOCC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001206735110 1033963515 /nfs/dbraw/zinc/96/35/15/1033963515.db2.gz MZPMCFPUIAFWHN-UHFFFAOYSA-N 2 1 385.596 3.748 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4scnc4c3)C2)ccn1 ZINC001206777328 1033980470 /nfs/dbraw/zinc/98/04/70/1033980470.db2.gz QTZHEPLYCQJYHP-LJQANCHMSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4scnc4c3)C2)ccn1 ZINC001206777328 1033980476 /nfs/dbraw/zinc/98/04/76/1033980476.db2.gz QTZHEPLYCQJYHP-LJQANCHMSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4scnc4c3)C2)ccn1 ZINC001206777328 1033980481 /nfs/dbraw/zinc/98/04/81/1033980481.db2.gz QTZHEPLYCQJYHP-LJQANCHMSA-N 2 1 382.533 3.796 20 0 GHADMP Cc1ncsc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001206862008 1034040850 /nfs/dbraw/zinc/04/08/50/1034040850.db2.gz BQWWMJGKOQYEQG-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP C[C@H]([NH3+])c1ccn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)n1 ZINC001158356044 1034041007 /nfs/dbraw/zinc/04/10/07/1034041007.db2.gz MYRBVJJSJLIUFF-KBPBESRZSA-N 2 1 396.564 3.617 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cn1)CC2 ZINC001207039842 1034064621 /nfs/dbraw/zinc/06/46/21/1034064621.db2.gz WLDNXWJYYACLCY-GOSISDBHSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cn1)CC2 ZINC001207039842 1034064633 /nfs/dbraw/zinc/06/46/33/1034064633.db2.gz WLDNXWJYYACLCY-GOSISDBHSA-N 2 1 375.513 3.538 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001207102340 1034093239 /nfs/dbraw/zinc/09/32/39/1034093239.db2.gz NPNOVWGKKVWCGS-RCKXYERXSA-N 2 1 387.568 3.647 20 0 GHADMP [NH3+][C@@H](C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc2ccccc2c1 ZINC001158567399 1034158394 /nfs/dbraw/zinc/15/83/94/1034158394.db2.gz HUSSPUMIARUZMT-DSNGMDLFSA-N 2 1 399.538 3.963 20 0 GHADMP [NH3+][C@@H](C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc2ccccc2c1 ZINC001158567399 1034158404 /nfs/dbraw/zinc/15/84/04/1034158404.db2.gz HUSSPUMIARUZMT-DSNGMDLFSA-N 2 1 399.538 3.963 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CCC(CC)([NH+]2CCC2)CC1)C1CCCCC1 ZINC001230684477 1034177262 /nfs/dbraw/zinc/17/72/62/1034177262.db2.gz AEVRVCJTCDZNNV-UHFFFAOYSA-N 2 1 378.605 3.691 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235841 1034203316 /nfs/dbraw/zinc/20/33/16/1034203316.db2.gz QIJJNVROEVAWNG-YFNKSVMNSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235841 1034203333 /nfs/dbraw/zinc/20/33/33/1034203333.db2.gz QIJJNVROEVAWNG-YFNKSVMNSA-N 2 1 379.548 3.831 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235841 1034203351 /nfs/dbraw/zinc/20/33/51/1034203351.db2.gz QIJJNVROEVAWNG-YFNKSVMNSA-N 2 1 379.548 3.831 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235841 1034203366 /nfs/dbraw/zinc/20/33/66/1034203366.db2.gz QIJJNVROEVAWNG-YFNKSVMNSA-N 2 1 379.548 3.831 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCOCc3ccccc3)C[C@@H]21 ZINC001207235841 1034203379 /nfs/dbraw/zinc/20/33/79/1034203379.db2.gz QIJJNVROEVAWNG-YFNKSVMNSA-N 2 1 379.548 3.831 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(NCC[C@H]3CCC[NH2+]3)n2)CCC4)CC1 ZINC001158626837 1034208175 /nfs/dbraw/zinc/20/81/75/1034208175.db2.gz FKKGSSIALGWZKO-MRXNPFEDSA-N 2 1 399.608 3.966 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)CC2)cc1 ZINC001207290616 1034242365 /nfs/dbraw/zinc/24/23/65/1034242365.db2.gz FXPFRXJKOBRGLI-RBZQAINGSA-N 2 1 384.564 3.557 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001230887086 1034271679 /nfs/dbraw/zinc/27/16/79/1034271679.db2.gz XGFNUBVBOVOELW-NRFANRHFSA-N 2 1 394.563 3.540 20 0 GHADMP C[NH+]1CCC(C[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C2CCCCC2)CC1 ZINC001207401034 1034341394 /nfs/dbraw/zinc/34/13/94/1034341394.db2.gz KJNABRMRDWKIFT-HXUWFJFHSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC(C[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C2CCCCC2)CC1 ZINC001207401033 1034341436 /nfs/dbraw/zinc/34/14/36/1034341436.db2.gz KJNABRMRDWKIFT-FQEVSTJZSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1cccs1 ZINC000164954385 1034370299 /nfs/dbraw/zinc/37/02/99/1034370299.db2.gz SWQGBCDVXNBHBD-OXJNMPFZSA-N 2 1 387.549 3.618 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1cccs1 ZINC000164954385 1034370310 /nfs/dbraw/zinc/37/03/10/1034370310.db2.gz SWQGBCDVXNBHBD-OXJNMPFZSA-N 2 1 387.549 3.618 20 0 GHADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475627 1034386646 /nfs/dbraw/zinc/38/66/46/1034386646.db2.gz IWLFFWSHFFJZDN-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475627 1034386656 /nfs/dbraw/zinc/38/66/56/1034386656.db2.gz IWLFFWSHFFJZDN-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475627 1034386667 /nfs/dbraw/zinc/38/66/67/1034386667.db2.gz IWLFFWSHFFJZDN-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475627 1034386677 /nfs/dbraw/zinc/38/66/77/1034386677.db2.gz IWLFFWSHFFJZDN-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475627 1034386687 /nfs/dbraw/zinc/38/66/87/1034386687.db2.gz IWLFFWSHFFJZDN-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP c1ccc(C[N@@H+]2CC=C(Nc3ccc(OCC4CC[NH2+]CC4)nc3)CC2)cc1 ZINC001159343878 1034554281 /nfs/dbraw/zinc/55/42/81/1034554281.db2.gz OQPZSCKEGGUOGL-UHFFFAOYSA-N 2 1 378.520 3.662 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cccnc34)C[C@@H]21 ZINC001231489354 1034634981 /nfs/dbraw/zinc/63/49/81/1034634981.db2.gz JJALYAUWSMQJKT-PIPMEXSNSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cccnc34)C[C@@H]21 ZINC001231489354 1034634987 /nfs/dbraw/zinc/63/49/87/1034634987.db2.gz JJALYAUWSMQJKT-PIPMEXSNSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cccnc34)C[C@@H]21 ZINC001231489354 1034634995 /nfs/dbraw/zinc/63/49/95/1034634995.db2.gz JJALYAUWSMQJKT-PIPMEXSNSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cccnc34)C[C@@H]21 ZINC001231489354 1034635000 /nfs/dbraw/zinc/63/50/00/1034635000.db2.gz JJALYAUWSMQJKT-PIPMEXSNSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516416 1034666790 /nfs/dbraw/zinc/66/67/90/1034666790.db2.gz IOHRNNORBUEORX-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP c1ccc(OC2CC[NH2+]CC2)c(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001159805439 1034747831 /nfs/dbraw/zinc/74/78/31/1034747831.db2.gz KTOUCERXKKPSLT-UHFFFAOYSA-N 2 1 393.531 3.882 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CCCC1 ZINC001208185222 1034780734 /nfs/dbraw/zinc/78/07/34/1034780734.db2.gz XOGBXLFDNFDJSY-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231652678 1034809635 /nfs/dbraw/zinc/80/96/35/1034809635.db2.gz HYOBUMBWKIWWNA-NNWRFLSQSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231652678 1034809647 /nfs/dbraw/zinc/80/96/47/1034809647.db2.gz HYOBUMBWKIWWNA-NNWRFLSQSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231652678 1034809657 /nfs/dbraw/zinc/80/96/57/1034809657.db2.gz HYOBUMBWKIWWNA-NNWRFLSQSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231652678 1034809669 /nfs/dbraw/zinc/80/96/69/1034809669.db2.gz HYOBUMBWKIWWNA-NNWRFLSQSA-N 2 1 380.536 3.608 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231666554 1034821759 /nfs/dbraw/zinc/82/17/59/1034821759.db2.gz OFDOVMFSUOLEBS-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP Fc1cccc(OC2CC[NH2+]CC2)c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001160149630 1034879620 /nfs/dbraw/zinc/87/96/20/1034879620.db2.gz SOGACORXOJENPQ-UHFFFAOYSA-N 2 1 385.483 3.532 20 0 GHADMP CCOc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001231763603 1034896379 /nfs/dbraw/zinc/89/63/79/1034896379.db2.gz IRZIAFSCWQCUBI-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCC[NH+](Cc3ccncc3)CC2)cc1 ZINC001208582895 1034940922 /nfs/dbraw/zinc/94/09/22/1034940922.db2.gz QKYJVNPUANIQBC-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CCC[N@H+](Cc3ccncc3)CC2)cc1 ZINC001208582895 1034940924 /nfs/dbraw/zinc/94/09/24/1034940924.db2.gz QKYJVNPUANIQBC-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CCC[N@@H+](Cc3ccncc3)CC2)cc1 ZINC001208582895 1034940928 /nfs/dbraw/zinc/94/09/28/1034940928.db2.gz QKYJVNPUANIQBC-DEOSSOPVSA-N 2 1 378.564 3.644 20 0 GHADMP CCOC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)Cc2cn(CC3CCCC3)nc21 ZINC001208596501 1034950444 /nfs/dbraw/zinc/95/04/44/1034950444.db2.gz RAZRGADTRMAFAP-JOCHJYFZSA-N 2 1 388.600 3.741 20 0 GHADMP COCCO[C@@H]1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001208616509 1034955086 /nfs/dbraw/zinc/95/50/86/1034955086.db2.gz ZLJLESNGEFOHIS-NZQKXSOJSA-N 2 1 386.580 3.860 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208624827 1034958862 /nfs/dbraw/zinc/95/88/62/1034958862.db2.gz QQQBWDLGGNUFLX-YADHBBJMSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208624827 1034958867 /nfs/dbraw/zinc/95/88/67/1034958867.db2.gz QQQBWDLGGNUFLX-YADHBBJMSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001208624827 1034958871 /nfs/dbraw/zinc/95/88/71/1034958871.db2.gz QQQBWDLGGNUFLX-YADHBBJMSA-N 2 1 399.579 3.697 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(Cc4ncccc4Cl)CC3)C2)cc1 ZINC001231959886 1035007490 /nfs/dbraw/zinc/00/74/90/1035007490.db2.gz KMAMKJKLTYSRKV-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC001160614144 1035016628 /nfs/dbraw/zinc/01/66/28/1035016628.db2.gz UAXIZZQUHICCHV-YMPZKCBVSA-N 2 1 385.596 3.771 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001208787575 1035021970 /nfs/dbraw/zinc/02/19/70/1035021970.db2.gz JRLSLFWYRPERNM-XMGTWHOFSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001208787575 1035021981 /nfs/dbraw/zinc/02/19/81/1035021981.db2.gz JRLSLFWYRPERNM-XMGTWHOFSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001208787575 1035021988 /nfs/dbraw/zinc/02/19/88/1035021988.db2.gz JRLSLFWYRPERNM-XMGTWHOFSA-N 2 1 387.568 3.593 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001208787575 1035021997 /nfs/dbraw/zinc/02/19/97/1035021997.db2.gz JRLSLFWYRPERNM-XMGTWHOFSA-N 2 1 387.568 3.593 20 0 GHADMP c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013847 1035044531 /nfs/dbraw/zinc/04/45/31/1035044531.db2.gz DSIXMNYPVOGMAX-GOTSBHOMSA-N 2 1 392.503 3.546 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931486 1035095383 /nfs/dbraw/zinc/09/53/83/1035095383.db2.gz KQQRGOGBDUJJNQ-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208931486 1035095392 /nfs/dbraw/zinc/09/53/92/1035095392.db2.gz KQQRGOGBDUJJNQ-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208931486 1035095406 /nfs/dbraw/zinc/09/54/06/1035095406.db2.gz KQQRGOGBDUJJNQ-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208931486 1035095415 /nfs/dbraw/zinc/09/54/15/1035095415.db2.gz KQQRGOGBDUJJNQ-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934005 1035098614 /nfs/dbraw/zinc/09/86/14/1035098614.db2.gz XIWPUWLHDIWALX-UZGSZPBKSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934005 1035098619 /nfs/dbraw/zinc/09/86/19/1035098619.db2.gz XIWPUWLHDIWALX-UZGSZPBKSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208934005 1035098625 /nfs/dbraw/zinc/09/86/25/1035098625.db2.gz XIWPUWLHDIWALX-UZGSZPBKSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208934005 1035098631 /nfs/dbraw/zinc/09/86/31/1035098631.db2.gz XIWPUWLHDIWALX-UZGSZPBKSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208935285 1035101849 /nfs/dbraw/zinc/10/18/49/1035101849.db2.gz KCDUYTMLDAZSIU-NRFANRHFSA-N 2 1 387.568 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208935285 1035101852 /nfs/dbraw/zinc/10/18/52/1035101852.db2.gz KCDUYTMLDAZSIU-NRFANRHFSA-N 2 1 387.568 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208935285 1035101857 /nfs/dbraw/zinc/10/18/57/1035101857.db2.gz KCDUYTMLDAZSIU-NRFANRHFSA-N 2 1 387.568 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208935285 1035101866 /nfs/dbraw/zinc/10/18/66/1035101866.db2.gz KCDUYTMLDAZSIU-NRFANRHFSA-N 2 1 387.568 3.841 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935673 1035102086 /nfs/dbraw/zinc/10/20/86/1035102086.db2.gz LDEIVBKTYZNXRK-CCDWMCETSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935673 1035102090 /nfs/dbraw/zinc/10/20/90/1035102090.db2.gz LDEIVBKTYZNXRK-CCDWMCETSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208935673 1035102093 /nfs/dbraw/zinc/10/20/93/1035102093.db2.gz LDEIVBKTYZNXRK-CCDWMCETSA-N 2 1 398.591 3.949 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940840 1035110147 /nfs/dbraw/zinc/11/01/47/1035110147.db2.gz HBSLOQJPMLAKIK-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208940840 1035110151 /nfs/dbraw/zinc/11/01/51/1035110151.db2.gz HBSLOQJPMLAKIK-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208940840 1035110155 /nfs/dbraw/zinc/11/01/55/1035110155.db2.gz HBSLOQJPMLAKIK-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208940840 1035110158 /nfs/dbraw/zinc/11/01/58/1035110158.db2.gz HBSLOQJPMLAKIK-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208942984 1035113442 /nfs/dbraw/zinc/11/34/42/1035113442.db2.gz KOUVYYKWVMTTQN-FCHUYYIVSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208942984 1035113447 /nfs/dbraw/zinc/11/34/47/1035113447.db2.gz KOUVYYKWVMTTQN-FCHUYYIVSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208942984 1035113453 /nfs/dbraw/zinc/11/34/53/1035113453.db2.gz KOUVYYKWVMTTQN-FCHUYYIVSA-N 2 1 395.547 3.846 20 0 GHADMP COC(=O)c1ccc(C2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208944328 1035115864 /nfs/dbraw/zinc/11/58/64/1035115864.db2.gz PFQZHZHTEDEQCB-FQEVSTJZSA-N 2 1 378.516 3.785 20 0 GHADMP COC(=O)c1ccc(C2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208944328 1035115869 /nfs/dbraw/zinc/11/58/69/1035115869.db2.gz PFQZHZHTEDEQCB-FQEVSTJZSA-N 2 1 378.516 3.785 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952098 1035124321 /nfs/dbraw/zinc/12/43/21/1035124321.db2.gz HBDJDYXNYSVUOT-QPTUXGOLSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952098 1035124328 /nfs/dbraw/zinc/12/43/28/1035124328.db2.gz HBDJDYXNYSVUOT-QPTUXGOLSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952098 1035124330 /nfs/dbraw/zinc/12/43/30/1035124330.db2.gz HBDJDYXNYSVUOT-QPTUXGOLSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001232146130 1035124626 /nfs/dbraw/zinc/12/46/26/1035124626.db2.gz JAPMCKAHMSOWDE-RBUKOAKNSA-N 2 1 391.531 3.576 20 0 GHADMP CC(C)[C@]1(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CCC[NH2+]C1 ZINC001161056282 1035127169 /nfs/dbraw/zinc/12/71/69/1035127169.db2.gz LAVQRUXMSQESSF-UPVQGACJSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150146 1035128609 /nfs/dbraw/zinc/12/86/09/1035128609.db2.gz UBAMWYFDNUSPKZ-KXBFYZLASA-N 2 1 379.520 3.622 20 0 GHADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150146 1035128613 /nfs/dbraw/zinc/12/86/13/1035128613.db2.gz UBAMWYFDNUSPKZ-KXBFYZLASA-N 2 1 379.520 3.622 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208957554 1035129679 /nfs/dbraw/zinc/12/96/79/1035129679.db2.gz LPJGEUZRIGVOAN-IFMALSPDSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208957554 1035129683 /nfs/dbraw/zinc/12/96/83/1035129683.db2.gz LPJGEUZRIGVOAN-IFMALSPDSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208957554 1035129687 /nfs/dbraw/zinc/12/96/87/1035129687.db2.gz LPJGEUZRIGVOAN-IFMALSPDSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)C1 ZINC001208957554 1035129692 /nfs/dbraw/zinc/12/96/92/1035129692.db2.gz LPJGEUZRIGVOAN-IFMALSPDSA-N 2 1 399.579 3.982 20 0 GHADMP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208958087 1035130298 /nfs/dbraw/zinc/13/02/98/1035130298.db2.gz OAMXWDTWEVOABE-OFNKIYASSA-N 2 1 380.532 3.962 20 0 GHADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208958087 1035130304 /nfs/dbraw/zinc/13/03/04/1035130304.db2.gz OAMXWDTWEVOABE-OFNKIYASSA-N 2 1 380.532 3.962 20 0 GHADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208958087 1035130313 /nfs/dbraw/zinc/13/03/13/1035130313.db2.gz OAMXWDTWEVOABE-OFNKIYASSA-N 2 1 380.532 3.962 20 0 GHADMP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961355 1035132524 /nfs/dbraw/zinc/13/25/24/1035132524.db2.gz ZQODIYPUAANOOF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208961355 1035132528 /nfs/dbraw/zinc/13/25/28/1035132528.db2.gz ZQODIYPUAANOOF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208961355 1035132532 /nfs/dbraw/zinc/13/25/32/1035132532.db2.gz ZQODIYPUAANOOF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CC[NH+](CCN(C)C(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208961355 1035132535 /nfs/dbraw/zinc/13/25/35/1035132535.db2.gz ZQODIYPUAANOOF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC(Nc2nc(N3CCCC3)cc(C)[nH+]2)CC1 ZINC001161150333 1035158921 /nfs/dbraw/zinc/15/89/21/1035158921.db2.gz CFXCSISZLHRRKQ-UHFFFAOYSA-N 2 1 399.514 3.609 20 0 GHADMP COC(=O)CCCCCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001209094012 1035170051 /nfs/dbraw/zinc/17/00/51/1035170051.db2.gz CPRVEVSXPKAGNE-UHFFFAOYSA-N 2 1 392.588 3.833 20 0 GHADMP COC(=O)CCCCCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001209094012 1035170042 /nfs/dbraw/zinc/17/00/42/1035170042.db2.gz CPRVEVSXPKAGNE-UHFFFAOYSA-N 2 1 392.588 3.833 20 0 GHADMP COC(=O)CCCCCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2C1 ZINC001209094012 1035170047 /nfs/dbraw/zinc/17/00/47/1035170047.db2.gz CPRVEVSXPKAGNE-UHFFFAOYSA-N 2 1 392.588 3.833 20 0 GHADMP COC(=O)CCCCCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001209094012 1035170055 /nfs/dbraw/zinc/17/00/55/1035170055.db2.gz CPRVEVSXPKAGNE-UHFFFAOYSA-N 2 1 392.588 3.833 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235720 1035176923 /nfs/dbraw/zinc/17/69/23/1035176923.db2.gz NWIRUUTYTAYPOX-XMMPIXPASA-N 2 1 381.564 3.859 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](Nc3ncnc4c3C[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161458649 1035235451 /nfs/dbraw/zinc/23/54/51/1035235451.db2.gz XXDFTBOFHBFOEI-FCHUYYIVSA-N 2 1 385.515 3.550 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3ncnc4c3C[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161458649 1035235455 /nfs/dbraw/zinc/23/54/55/1035235455.db2.gz XXDFTBOFHBFOEI-FCHUYYIVSA-N 2 1 385.515 3.550 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209373971 1035259271 /nfs/dbraw/zinc/25/92/71/1035259271.db2.gz WBMGUPYAIYEOMY-OYRHEFFESA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209373971 1035259272 /nfs/dbraw/zinc/25/92/72/1035259272.db2.gz WBMGUPYAIYEOMY-OYRHEFFESA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209373971 1035259274 /nfs/dbraw/zinc/25/92/74/1035259274.db2.gz WBMGUPYAIYEOMY-OYRHEFFESA-N 2 1 387.568 3.745 20 0 GHADMP Cn1ccc2c1nc[nH+]c2NCC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001161577147 1035262925 /nfs/dbraw/zinc/26/29/25/1035262925.db2.gz FAMVWKIUGFUKLU-UHFFFAOYSA-N 2 1 389.425 3.720 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C[C@H](C)O1 ZINC001209383351 1035264775 /nfs/dbraw/zinc/26/47/75/1035264775.db2.gz VLSFPPGGEBYKTN-YRPNKDGESA-N 2 1 376.541 3.539 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209451391 1035277225 /nfs/dbraw/zinc/27/72/25/1035277225.db2.gz XJLCOBUOWIFGJU-UHFFFAOYSA-N 2 1 387.568 3.544 20 0 GHADMP Cn1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc21 ZINC001209581034 1035316788 /nfs/dbraw/zinc/31/67/88/1035316788.db2.gz AUBLXSNCVLZRRJ-QTGUNEKASA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc21 ZINC001209581034 1035316793 /nfs/dbraw/zinc/31/67/93/1035316793.db2.gz AUBLXSNCVLZRRJ-QTGUNEKASA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc21 ZINC001209581034 1035316795 /nfs/dbraw/zinc/31/67/95/1035316795.db2.gz AUBLXSNCVLZRRJ-QTGUNEKASA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2ccccc21 ZINC001209581034 1035316796 /nfs/dbraw/zinc/31/67/96/1035316796.db2.gz AUBLXSNCVLZRRJ-QTGUNEKASA-N 2 1 389.547 3.701 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001209648903 1035342630 /nfs/dbraw/zinc/34/26/30/1035342630.db2.gz YYVLPAVOIDQJCV-UHFFFAOYSA-N 2 1 389.547 3.914 20 0 GHADMP [NH3+]C1CCN(C(=O)c2ccccc2C2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001241506680 1035598112 /nfs/dbraw/zinc/59/81/12/1035598112.db2.gz JSTIPOOUNJDJAU-UHFFFAOYSA-N 2 1 375.516 3.539 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)cc2F)no1 ZINC001248193882 1035622443 /nfs/dbraw/zinc/62/24/43/1035622443.db2.gz BIRIGKOVVWXYTR-ZDUSSCGKSA-N 2 1 376.354 3.506 20 0 GHADMP Cc1cc(F)c(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc1Br ZINC001248194583 1035624630 /nfs/dbraw/zinc/62/46/30/1035624630.db2.gz KKDLDYXPPLQLJO-AWEZNQCLSA-N 2 1 385.281 3.678 20 0 GHADMP C[C@]([NH3+])(Cc1ccccc1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248226493 1035661713 /nfs/dbraw/zinc/66/17/13/1035661713.db2.gz XTMWJVZWQPXXOF-QMUTUGEISA-N 2 1 375.476 3.615 20 0 GHADMP CCC1(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CC[NH2+]CC1 ZINC001248293140 1035733855 /nfs/dbraw/zinc/73/38/55/1035733855.db2.gz LUQSHGANTHCPTL-GOSISDBHSA-N 2 1 381.455 3.639 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC001248622120 1035996749 /nfs/dbraw/zinc/99/67/49/1035996749.db2.gz RDIRLAHQSGGABJ-FQEVSTJZSA-N 2 1 392.975 3.603 20 0 GHADMP CCC(CC)[N@@H+](C[C@@H](O)COc1ccccc1OC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246064461 1037177754 /nfs/dbraw/zinc/17/77/54/1037177754.db2.gz DQTCRVLRRNNBAZ-HMXCVIKNSA-N 2 1 392.584 3.974 20 0 GHADMP COc1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067244 1037180944 /nfs/dbraw/zinc/18/09/44/1037180944.db2.gz OMIIOWOUBUHEBZ-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP Cc1ccccc1C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071325 1037186169 /nfs/dbraw/zinc/18/61/69/1037186169.db2.gz RZWBQJHIBCJXGO-YPAWHYETSA-N 2 1 386.511 3.646 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](NCC4C[NH2+]C4)C[C@@H]23)cc1 ZINC001246089708 1037190744 /nfs/dbraw/zinc/19/07/44/1037190744.db2.gz BCNXLWVLNRNAOU-UBFVSLLYSA-N 2 1 375.560 3.560 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]CC4C[NH2+]C4)C[C@@H]23)cc1 ZINC001246089708 1037190756 /nfs/dbraw/zinc/19/07/56/1037190756.db2.gz BCNXLWVLNRNAOU-UBFVSLLYSA-N 3 1 375.560 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]CC4C[NH2+]C4)C[C@@H]23)cc1 ZINC001246089708 1037190760 /nfs/dbraw/zinc/19/07/60/1037190760.db2.gz BCNXLWVLNRNAOU-UBFVSLLYSA-N 3 1 375.560 3.560 20 0 GHADMP Brc1ccc(C2CCC([NH2+]CCCC[NH+]3CCNCC3)CC2)cc1 ZINC001246086469 1037190913 /nfs/dbraw/zinc/19/09/13/1037190913.db2.gz CDHZFXRWEZUMQH-UHFFFAOYSA-N 2 1 394.401 3.750 20 0 GHADMP C[C@H]1C[NH2+]C[C@@H]1N[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246105581 1037196043 /nfs/dbraw/zinc/19/60/43/1037196043.db2.gz BRFVQBZASMPEGD-OZJWZVNMSA-N 2 1 389.587 3.949 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]CC1 ZINC001246131065 1037207941 /nfs/dbraw/zinc/20/79/41/1037207941.db2.gz WXJGPQJEAXCAHA-AVRDEDQJSA-N 2 1 383.580 3.806 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn(C2CCC3(CC[NH2+]CC3)CC2)c2ccccc12 ZINC001246199296 1037235445 /nfs/dbraw/zinc/23/54/45/1037235445.db2.gz UKITXQMFGRQDQL-HXUWFJFHSA-N 2 1 383.536 3.559 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246208998 1037240181 /nfs/dbraw/zinc/24/01/81/1037240181.db2.gz KSEBAFLJNDBKBF-SBHAEUEKSA-N 2 1 376.903 3.774 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246261427 1037261253 /nfs/dbraw/zinc/26/12/53/1037261253.db2.gz PRYGLMHQZHKAFP-KSEOMHKRSA-N 2 1 389.584 3.546 20 0 GHADMP COc1cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]2CCC[NH2+]CC2)cc2ccccc21 ZINC001246286313 1037277681 /nfs/dbraw/zinc/27/76/81/1037277681.db2.gz JWWYTWDHOGPCTH-RXVVDRJESA-N 2 1 383.536 3.933 20 0 GHADMP COc1cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc2ccccc21 ZINC001246289608 1037279052 /nfs/dbraw/zinc/27/90/52/1037279052.db2.gz QAJYATCYUIVGAQ-CDXJDZJCSA-N 2 1 383.536 3.932 20 0 GHADMP COC(=O)[C@H]([NH2+][C@H](C)CC(c1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC001246329042 1037297645 /nfs/dbraw/zinc/29/76/45/1037297645.db2.gz MWVSNSXWBKRQBW-WZONZLPQSA-N 2 1 380.532 3.728 20 0 GHADMP COc1cccc(C2(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246414877 1037369502 /nfs/dbraw/zinc/36/95/02/1037369502.db2.gz JVRCQYVVTLLTSM-SIKLNZKXSA-N 2 1 379.548 3.527 20 0 GHADMP FC(F)(F)c1ccc(C2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246423950 1037380188 /nfs/dbraw/zinc/38/01/88/1037380188.db2.gz RZRXBFVOIDWBAF-UHFFFAOYSA-N 2 1 381.486 3.796 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246428524 1037387990 /nfs/dbraw/zinc/38/79/90/1037387990.db2.gz AGMNIGRCPDPSBV-CRAIPNDOSA-N 2 1 398.469 3.996 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N[C@@H]4CC45C[NH2+]C5)C[C@@H]23)cc1 ZINC001246442561 1037403808 /nfs/dbraw/zinc/40/38/08/1037403808.db2.gz DAEFIGOOCNTNCZ-PMHJDTQVSA-N 2 1 387.571 3.703 20 0 GHADMP C[C@H]1C[C@@H](NC2(Cc3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246455241 1037416147 /nfs/dbraw/zinc/41/61/47/1037416147.db2.gz HVBJOHIGDVABPZ-URXFXBBRSA-N 2 1 377.576 3.994 20 0 GHADMP C[C@H]1C[C@H](NC2(Cc3cccc(F)c3)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246457381 1037416337 /nfs/dbraw/zinc/41/63/37/1037416337.db2.gz KCGWKBYHZSFQEY-CVDCTZTESA-N 2 1 381.539 3.743 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](NC3(Cc4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246465621 1037420891 /nfs/dbraw/zinc/42/08/91/1037420891.db2.gz RDETXCWTWYGMCV-XMMPIXPASA-N 2 1 377.576 3.996 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3(Cc4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246465621 1037420899 /nfs/dbraw/zinc/42/08/99/1037420899.db2.gz RDETXCWTWYGMCV-XMMPIXPASA-N 3 1 377.576 3.996 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3(Cc4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246465621 1037420905 /nfs/dbraw/zinc/42/09/05/1037420905.db2.gz RDETXCWTWYGMCV-XMMPIXPASA-N 3 1 377.576 3.996 20 0 GHADMP CC[C@H]1C[C@H]([NH2+][C@H](C(=O)Nc2cc3ccccc3c(OC)c2)C(C)C)CC[NH2+]1 ZINC001246478756 1037427144 /nfs/dbraw/zinc/42/71/44/1037427144.db2.gz AYBUFNHECOHMOG-SVMVAKDDSA-N 2 1 383.536 3.932 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1)CC2 ZINC001246491375 1037436920 /nfs/dbraw/zinc/43/69/20/1037436920.db2.gz CYXJRHHORWJKAU-XZOQPEGZSA-N 2 1 380.532 3.683 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1ccc(Br)cc1 ZINC001246503093 1037443960 /nfs/dbraw/zinc/44/39/60/1037443960.db2.gz XRCBUCPDYOXDGC-IKGGRYGDSA-N 2 1 397.357 3.810 20 0 GHADMP CC[C@@H]1C[C@@H](NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCOC)C[C@H](CC)[NH2+]1 ZINC001246512297 1037449899 /nfs/dbraw/zinc/44/98/99/1037449899.db2.gz FBWXCJCCDBFZQX-PLACYPQZSA-N 2 1 381.992 3.858 20 0 GHADMP CC[C@@H]1C[C@@H](NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)C[C@H](CC)[NH2+]1 ZINC001246512297 1037449906 /nfs/dbraw/zinc/44/99/06/1037449906.db2.gz FBWXCJCCDBFZQX-PLACYPQZSA-N 2 1 381.992 3.858 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599108 1037496343 /nfs/dbraw/zinc/49/63/43/1037496343.db2.gz AQXYDGDKIXYYFR-ISKFKSNPSA-N 2 1 383.580 3.927 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc(OC)c1OC ZINC001246610160 1037503754 /nfs/dbraw/zinc/50/37/54/1037503754.db2.gz PUQJZWPMWUROSJ-JPYJTQIMSA-N 2 1 390.568 3.889 20 0 GHADMP CCC[C@H]1CC[C@H](C2CCC([N@H+]3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)CC2)CC1 ZINC001246629884 1037517874 /nfs/dbraw/zinc/51/78/74/1037517874.db2.gz QLEPBZFPRDVDCD-UJCFLTRGSA-N 2 1 387.612 3.563 20 0 GHADMP Brc1ccc(N2CCC([N@@H+]3CCCC[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246644895 1037526633 /nfs/dbraw/zinc/52/66/33/1037526633.db2.gz SAFPEAWIFLVKOI-LJQANCHMSA-N 2 1 378.358 3.636 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCCC[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246644895 1037526653 /nfs/dbraw/zinc/52/66/53/1037526653.db2.gz SAFPEAWIFLVKOI-LJQANCHMSA-N 2 1 378.358 3.636 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673471 1037540025 /nfs/dbraw/zinc/54/00/25/1037540025.db2.gz NABGUJHILFBUEV-YZUZCNPQSA-N 2 1 378.516 3.958 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001246673471 1037540038 /nfs/dbraw/zinc/54/00/38/1037540038.db2.gz NABGUJHILFBUEV-YZUZCNPQSA-N 2 1 378.516 3.958 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246675875 1037543358 /nfs/dbraw/zinc/54/33/58/1037543358.db2.gz YUHDAXHOYKHEOB-NDBXHCKUSA-N 2 1 375.560 3.733 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246675875 1037543374 /nfs/dbraw/zinc/54/33/74/1037543374.db2.gz YUHDAXHOYKHEOB-NDBXHCKUSA-N 2 1 375.560 3.733 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+](C2CCC4(CCC[NH2+]C4)CC2)CC3)c1 ZINC001246693373 1037552874 /nfs/dbraw/zinc/55/28/74/1037552874.db2.gz JUVVATJJQPTALS-UHFFFAOYSA-N 2 1 394.538 3.996 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1ccc(F)cc1 ZINC001246713952 1037564301 /nfs/dbraw/zinc/56/43/01/1037564301.db2.gz IQUVMNBBIBTTDH-UNMCSNQZSA-N 2 1 385.527 3.709 20 0 GHADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)C[NH2+]1 ZINC001246719057 1037570651 /nfs/dbraw/zinc/57/06/51/1037570651.db2.gz JXRNNINHPUXOHD-QXPQREGVSA-N 2 1 395.572 3.711 20 0 GHADMP C[C@@H]1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)C[NH2+]1 ZINC001246719057 1037570667 /nfs/dbraw/zinc/57/06/67/1037570667.db2.gz JXRNNINHPUXOHD-QXPQREGVSA-N 2 1 395.572 3.711 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)C[C@H](CC)[NH2+]1 ZINC001246720445 1037573620 /nfs/dbraw/zinc/57/36/20/1037573620.db2.gz MCUBWRVHJLWUCL-KNAFXUBQSA-N 2 1 397.607 3.853 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CCC[C@]4(CC[NH2+]C4)C2)C3)c1 ZINC001246728605 1037576875 /nfs/dbraw/zinc/57/68/75/1037576875.db2.gz YYRUAEMFPMMUFZ-SBFWRKJZSA-N 2 1 383.580 3.931 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246764397 1037606824 /nfs/dbraw/zinc/60/68/24/1037606824.db2.gz KEIDIMUNZDFFBS-UNMKOGDSSA-N 2 1 391.506 3.703 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246764391 1037607807 /nfs/dbraw/zinc/60/78/07/1037607807.db2.gz KEIDIMUNZDFFBS-PAODICLVSA-N 2 1 391.506 3.703 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246782651 1037620728 /nfs/dbraw/zinc/62/07/28/1037620728.db2.gz RETKQMIAGLQEMC-BHDDXSALSA-N 2 1 380.532 3.902 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246782651 1037620741 /nfs/dbraw/zinc/62/07/41/1037620741.db2.gz RETKQMIAGLQEMC-BHDDXSALSA-N 2 1 380.532 3.902 20 0 GHADMP Fc1ccccc1[C@@H]1C[NH2+]CCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246797222 1037633631 /nfs/dbraw/zinc/63/36/31/1037633631.db2.gz OQXXDZFPERUCTE-BLRYILKCSA-N 2 1 379.523 3.968 20 0 GHADMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246817065 1037649617 /nfs/dbraw/zinc/64/96/17/1037649617.db2.gz ISEAAOOQYCTFIU-PKOBYXMFSA-N 2 1 380.374 3.882 20 0 GHADMP O=C(c1ccc(Br)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246824057 1037654971 /nfs/dbraw/zinc/65/49/71/1037654971.db2.gz OMUXUCOYJCMEKH-JWTNVVGKSA-N 2 1 377.326 3.627 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246822689 1037655045 /nfs/dbraw/zinc/65/50/45/1037655045.db2.gz MKKKHUDUKUPASL-QZTJIDSGSA-N 2 1 379.342 3.874 20 0 GHADMP CC1(C)C[C@@H](N2CC[NH2+]C[C@@H]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001246837516 1037666393 /nfs/dbraw/zinc/66/63/93/1037666393.db2.gz ODHYJVLYPMASKQ-ZEQRLZLVSA-N 2 1 377.576 3.946 20 0 GHADMP c1ccc(C[C@H]2C[C@H](N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)CC[NH2+]2)cc1 ZINC001246910272 1037718210 /nfs/dbraw/zinc/71/82/10/1037718210.db2.gz KLULTRZVEOXQBC-RCTAOEEJSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@H]5C[NH2+][C@@H]5C4)C[C@@H]23)cc1 ZINC001246916505 1037723516 /nfs/dbraw/zinc/72/35/16/1037723516.db2.gz ACYKXOBBBVIVMU-SVDNCKMHSA-N 2 1 387.571 3.655 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc(OC)c1OC ZINC001246937826 1037741551 /nfs/dbraw/zinc/74/15/51/1037741551.db2.gz MVXWKFWDOAXAMK-ZWKOTPCHSA-N 2 1 390.568 3.888 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1)CC2 ZINC001246944969 1037751305 /nfs/dbraw/zinc/75/13/05/1037751305.db2.gz WNDQTKMEQRDEIH-SWCONJRYSA-N 2 1 388.527 3.892 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001246952238 1037754802 /nfs/dbraw/zinc/75/48/02/1037754802.db2.gz IOBKUCYHFCHMLK-NDBXHCKUSA-N 2 1 390.575 3.831 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)C1 ZINC001246956762 1037768220 /nfs/dbraw/zinc/76/82/20/1037768220.db2.gz UUYKQUSTSLFYHG-DYESRHJHSA-N 2 1 376.516 3.810 20 0 GHADMP Cc1cc(F)ccc1CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246958697 1037770821 /nfs/dbraw/zinc/77/08/21/1037770821.db2.gz FYTBKFIZBAQWQI-DEOSSOPVSA-N 2 1 381.539 3.963 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246957594 1037771897 /nfs/dbraw/zinc/77/18/97/1037771897.db2.gz BRZAPYGSNXIYJA-ZGFBMJKBSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246957594 1037771916 /nfs/dbraw/zinc/77/19/16/1037771916.db2.gz BRZAPYGSNXIYJA-ZGFBMJKBSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246957594 1037771934 /nfs/dbraw/zinc/77/19/34/1037771934.db2.gz BRZAPYGSNXIYJA-ZGFBMJKBSA-N 2 1 375.560 3.556 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)C2CC(C)(C)OC(C)(C)C2)c1 ZINC001246958513 1037775720 /nfs/dbraw/zinc/77/57/20/1037775720.db2.gz PSJGUIGPPJEVMH-UHFFFAOYSA-N 2 1 388.552 3.763 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246959966 1037777041 /nfs/dbraw/zinc/77/70/41/1037777041.db2.gz KHUVXNTZGQSKBS-VQIMIIECSA-N 2 1 392.515 3.510 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)[nH+]1 ZINC001246960671 1037781347 /nfs/dbraw/zinc/78/13/47/1037781347.db2.gz MJMUPWQXJIQIHH-RBBKRZOGSA-N 3 1 382.527 3.889 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246965337 1037787265 /nfs/dbraw/zinc/78/72/65/1037787265.db2.gz PTTWZVOUPLIZPS-XSDIEEQYSA-N 2 1 388.552 3.889 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](C3C[C@@H](CC)[NH2+][C@H](CC)C3)C2)cc1 ZINC001246974907 1037801008 /nfs/dbraw/zinc/80/10/08/1037801008.db2.gz SOMROGPEJWKHOM-KNKQGSTJSA-N 2 1 387.568 3.589 20 0 GHADMP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246975596 1037801289 /nfs/dbraw/zinc/80/12/89/1037801289.db2.gz MAFSCOOLXYOPKO-GOTSBHOMSA-N 2 1 385.596 3.664 20 0 GHADMP Brc1cnn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001462213358 1070087931 /nfs/dbraw/zinc/08/79/31/1070087931.db2.gz ACQIYMACVFXZKZ-IEBWSBKVSA-N 2 1 389.341 3.603 20 0 GHADMP Brc1cnn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001462213358 1070087944 /nfs/dbraw/zinc/08/79/44/1070087944.db2.gz ACQIYMACVFXZKZ-IEBWSBKVSA-N 2 1 389.341 3.603 20 0 GHADMP Fc1ccc(C[C@H]2CC[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)CC2(F)F)cc1 ZINC001246987188 1037812118 /nfs/dbraw/zinc/81/21/18/1037812118.db2.gz MINBDSDADZAMJJ-QHGAOEGBSA-N 2 1 382.470 3.627 20 0 GHADMP Fc1ccc(C[C@H]2CC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)CC2(F)F)cc1 ZINC001246987188 1037812132 /nfs/dbraw/zinc/81/21/32/1037812132.db2.gz MINBDSDADZAMJJ-QHGAOEGBSA-N 2 1 382.470 3.627 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246993974 1037819197 /nfs/dbraw/zinc/81/91/97/1037819197.db2.gz AGUHWPHJBHMRHZ-LMNJBCLMSA-N 2 1 376.928 3.725 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@H+]1[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246993974 1037819222 /nfs/dbraw/zinc/81/92/22/1037819222.db2.gz AGUHWPHJBHMRHZ-LMNJBCLMSA-N 2 1 376.928 3.725 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC001247007153 1037831296 /nfs/dbraw/zinc/83/12/96/1037831296.db2.gz BPFXBIUSNRZIQX-OAGGEKHMSA-N 2 1 380.374 3.657 20 0 GHADMP COc1ccc(C[N@@H+]2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232335712 1038115992 /nfs/dbraw/zinc/11/59/92/1038115992.db2.gz WBAMYJICDVXMRK-UHFFFAOYSA-N 2 1 392.503 3.577 20 0 GHADMP COc1ccc(C[N@H+]2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(C)n1 ZINC001232335712 1038115998 /nfs/dbraw/zinc/11/59/98/1038115998.db2.gz WBAMYJICDVXMRK-UHFFFAOYSA-N 2 1 392.503 3.577 20 0 GHADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCc4ccccc4)C3)cn2)CC1 ZINC001232364243 1038142416 /nfs/dbraw/zinc/14/24/16/1038142416.db2.gz SEEAWOSISBDGOP-QFIPXVFZSA-N 2 1 378.564 3.678 20 0 GHADMP [NH3+]C[C@H]1CC[C@H](c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CC1 ZINC001247634999 1038284625 /nfs/dbraw/zinc/28/46/25/1038284625.db2.gz DCCYOJAJWFYXAI-PJIJBLCYSA-N 2 1 381.455 3.840 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cc(OCc3ccc(F)cc3)ccc2F)no1 ZINC001247696237 1038335776 /nfs/dbraw/zinc/33/57/76/1038335776.db2.gz RUJWHCWBZSJYJI-SFHVURJKSA-N 2 1 388.418 3.723 20 0 GHADMP C[C@@H](c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1)C1CC[NH2+]CC1 ZINC001247793553 1038384691 /nfs/dbraw/zinc/38/46/91/1038384691.db2.gz PVXSIWPNTKELJS-BFUOFWGJSA-N 2 1 381.455 3.711 20 0 GHADMP c1[nH]c2ncncc2c1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001232658420 1038448716 /nfs/dbraw/zinc/44/87/16/1038448716.db2.gz WJKYHSFFGPTCTI-UHFFFAOYSA-N 2 1 375.520 3.788 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1-c1noc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247904397 1038476460 /nfs/dbraw/zinc/47/64/60/1038476460.db2.gz FEOPIZDUOVZJQP-CQSZACIVSA-N 2 1 394.441 3.995 20 0 GHADMP Cc1cc2ccccc2nc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247909804 1038485770 /nfs/dbraw/zinc/48/57/70/1038485770.db2.gz SHQFIVPOEYEORO-UHFFFAOYSA-N 2 1 377.492 3.525 20 0 GHADMP Fc1cc(-c2noc([C@H]3CCC[C@]34CC[NH2+]C4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247937176 1038509092 /nfs/dbraw/zinc/50/90/92/1038509092.db2.gz WXDIYYZNPKXXJB-SFGWALBWSA-N 2 1 393.466 3.855 20 0 GHADMP COc1cc(O)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001232802787 1038565160 /nfs/dbraw/zinc/56/51/60/1038565160.db2.gz KTAYHRNDQFSNQB-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC001251985536 1038792407 /nfs/dbraw/zinc/79/24/07/1038792407.db2.gz JJIKBUGSILHSJL-PZJWPPBQSA-N 2 1 386.561 3.537 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@H](O)COCc1ccccc1)CC2 ZINC001252279976 1038921680 /nfs/dbraw/zinc/92/16/80/1038921680.db2.gz HEXPGVMEZBQETP-GMAHTHKFSA-N 2 1 398.547 3.534 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC001252412321 1038989407 /nfs/dbraw/zinc/98/94/07/1038989407.db2.gz XGHIQTJZXNFYIO-YTFSRNRJSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001252412321 1038989409 /nfs/dbraw/zinc/98/94/09/1038989409.db2.gz XGHIQTJZXNFYIO-YTFSRNRJSA-N 2 1 398.595 3.555 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1OCc1ccccc1 ZINC001233244580 1039001457 /nfs/dbraw/zinc/00/14/57/1039001457.db2.gz MMRXDROBFHXWHW-XZOQPEGZSA-N 2 1 397.538 3.615 20 0 GHADMP CC[N@@H+]1C[C@H]2CN(Cc3cc(OC)c(OC)c(OCc4ccccc4)c3)C[C@H]2C1 ZINC001233254100 1039019386 /nfs/dbraw/zinc/01/93/86/1039019386.db2.gz HJIAIRZAUZLNBS-OYRHEFFESA-N 2 1 396.531 3.666 20 0 GHADMP O[C@]1(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252929004 1039266201 /nfs/dbraw/zinc/26/62/01/1039266201.db2.gz RKDBYEOERMGYAW-VWLOTQADSA-N 2 1 389.543 3.984 20 0 GHADMP O[C@]1(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929004 1039266217 /nfs/dbraw/zinc/26/62/17/1039266217.db2.gz RKDBYEOERMGYAW-VWLOTQADSA-N 2 1 389.543 3.984 20 0 GHADMP O[C@]1(CNc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252942016 1039285899 /nfs/dbraw/zinc/28/58/99/1039285899.db2.gz MSOIIBDNLBTGNC-VWLOTQADSA-N 2 1 393.575 3.764 20 0 GHADMP O[C@]1(C[NH2+]CCc2cc(Cl)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252942495 1039287602 /nfs/dbraw/zinc/28/76/02/1039287602.db2.gz ZLWWFVPUGLTAKZ-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@]1(C[NH2+]CCc2cc(Cl)ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252942495 1039287614 /nfs/dbraw/zinc/28/76/14/1039287614.db2.gz ZLWWFVPUGLTAKZ-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP COc1ccccc1CC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC001252950161 1039293752 /nfs/dbraw/zinc/29/37/52/1039293752.db2.gz FFEZOHFYJBUTTL-RUZDIDTESA-N 2 1 394.559 3.635 20 0 GHADMP COc1ccccc1CC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001252950161 1039293759 /nfs/dbraw/zinc/29/37/59/1039293759.db2.gz FFEZOHFYJBUTTL-RUZDIDTESA-N 2 1 394.559 3.635 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001252997700 1039327547 /nfs/dbraw/zinc/32/75/47/1039327547.db2.gz OKOXGYDVVSEVPJ-DOIPELPJSA-N 2 1 394.625 3.706 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@@](C)(O)c1ccccc1)CC2 ZINC001253099131 1039421302 /nfs/dbraw/zinc/42/13/02/1039421302.db2.gz FJXIKVZKFBRFJP-DNQXCXABSA-N 2 1 394.559 3.650 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@](C)(O)c3ccccc3)C[C@@H]21 ZINC001253101921 1039424931 /nfs/dbraw/zinc/42/49/31/1039424931.db2.gz VZTIJJUHCSLNPP-GOUWZUTHSA-N 2 1 379.548 3.522 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@](C)(O)c3ccccc3)C[C@@H]21 ZINC001253101921 1039424936 /nfs/dbraw/zinc/42/49/36/1039424936.db2.gz VZTIJJUHCSLNPP-GOUWZUTHSA-N 2 1 379.548 3.522 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@](C)(O)c3ccccc3)C[C@@H]21 ZINC001253101921 1039424944 /nfs/dbraw/zinc/42/49/44/1039424944.db2.gz VZTIJJUHCSLNPP-GOUWZUTHSA-N 2 1 379.548 3.522 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@](C)(O)c3ccccc3)C[C@@H]21 ZINC001253101921 1039424950 /nfs/dbraw/zinc/42/49/50/1039424950.db2.gz VZTIJJUHCSLNPP-GOUWZUTHSA-N 2 1 379.548 3.522 20 0 GHADMP Clc1cccc2nc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cn21 ZINC001233583112 1039456846 /nfs/dbraw/zinc/45/68/46/1039456846.db2.gz KNMQVEFVMKCTKJ-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP Clc1cccc2nc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cn21 ZINC001233583112 1039456855 /nfs/dbraw/zinc/45/68/55/1039456855.db2.gz KNMQVEFVMKCTKJ-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCc3cc(-c4cccnc4)ccc32)CC1 ZINC001253186689 1039465992 /nfs/dbraw/zinc/46/59/92/1039465992.db2.gz RCHJKKZUQNCZFW-HSZRJFAPSA-N 2 1 393.575 3.731 20 0 GHADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCc3cc(-c4ccncc4)ccc32)CC1 ZINC001253185876 1039466139 /nfs/dbraw/zinc/46/61/39/1039466139.db2.gz JCNVEKUHSIOECJ-QHCPKHFHSA-N 2 1 393.575 3.731 20 0 GHADMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001234395301 1040000056 /nfs/dbraw/zinc/00/00/56/1040000056.db2.gz DNHQEEFPKWXGTH-PKTZIBPZSA-N 2 1 398.595 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001254186341 1040033112 /nfs/dbraw/zinc/03/31/12/1040033112.db2.gz LVJGLBOQXLROKB-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001254344484 1040178419 /nfs/dbraw/zinc/17/84/19/1040178419.db2.gz VYEUJQVJQTYBTG-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506573 1040286975 /nfs/dbraw/zinc/28/69/75/1040286975.db2.gz UKPJONDDYVXULL-GGAORHGYSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506573 1040286990 /nfs/dbraw/zinc/28/69/90/1040286990.db2.gz UKPJONDDYVXULL-GGAORHGYSA-N 2 1 396.531 3.944 20 0 GHADMP CCC[NH+](CCC)CC[NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254714334 1040472972 /nfs/dbraw/zinc/47/29/72/1040472972.db2.gz DKPNBDIBRRSCSD-UHFFFAOYSA-N 2 1 397.604 3.647 20 0 GHADMP Clc1cc(Cl)cc(Oc2cccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)c2)c1 ZINC001234986337 1040483577 /nfs/dbraw/zinc/48/35/77/1040483577.db2.gz ANJJJCPEODCTIL-FQEVSTJZSA-N 2 1 392.330 3.923 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755282 1040517067 /nfs/dbraw/zinc/51/70/67/1040517067.db2.gz QSDPLWZDGIRVGV-PGRDOPGGSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755282 1040517078 /nfs/dbraw/zinc/51/70/78/1040517078.db2.gz QSDPLWZDGIRVGV-PGRDOPGGSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254755282 1040517095 /nfs/dbraw/zinc/51/70/95/1040517095.db2.gz QSDPLWZDGIRVGV-PGRDOPGGSA-N 2 1 377.573 3.584 20 0 GHADMP COc1ccccc1Sc1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235041346 1040535606 /nfs/dbraw/zinc/53/56/06/1040535606.db2.gz PMKPIBXCMRWCTK-WIYYLYMNSA-N 2 1 384.545 3.657 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235051560 1040544909 /nfs/dbraw/zinc/54/49/09/1040544909.db2.gz ABGUIIGSUVUELI-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235051560 1040544926 /nfs/dbraw/zinc/54/49/26/1040544926.db2.gz ABGUIIGSUVUELI-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001235064646 1040552277 /nfs/dbraw/zinc/55/22/77/1040552277.db2.gz SNQCHVIIUHVQNC-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001235064646 1040552289 /nfs/dbraw/zinc/55/22/89/1040552289.db2.gz SNQCHVIIUHVQNC-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)Oc1cc(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235094498 1040586045 /nfs/dbraw/zinc/58/60/45/1040586045.db2.gz YDJPGBQUESAKOY-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP Brc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1Br ZINC001235103137 1040590270 /nfs/dbraw/zinc/59/02/70/1040590270.db2.gz FDHSUUGCKMBLNP-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254848030 1040592112 /nfs/dbraw/zinc/59/21/12/1040592112.db2.gz MIJZVSOUIYPWLG-LJQANCHMSA-N 2 1 381.486 3.526 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)oc2c1 ZINC001235153995 1040644881 /nfs/dbraw/zinc/64/48/81/1040644881.db2.gz GUYUFFNHMPBNHO-MRXNPFEDSA-N 2 1 378.314 3.944 20 0 GHADMP Brc1ccc2oc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235152855 1040646280 /nfs/dbraw/zinc/64/62/80/1040646280.db2.gz BVASQRIYBKKDKT-MRXNPFEDSA-N 2 1 378.314 3.944 20 0 GHADMP COc1cccc2c1c(C[NH3+])cn2C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254997500 1040717809 /nfs/dbraw/zinc/71/78/09/1040717809.db2.gz FCFMSACMMLSNEC-SEJPIABJSA-N 2 1 391.515 3.713 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](C3Cc4ccccc4C3)CC2)CC1 ZINC001255029282 1040740630 /nfs/dbraw/zinc/74/06/30/1040740630.db2.gz LIIYFPCQZJFXMP-UHFFFAOYSA-N 2 1 399.579 3.607 20 0 GHADMP FC(F)(F)c1cccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1Br ZINC001235341062 1040811028 /nfs/dbraw/zinc/81/10/28/1040811028.db2.gz ZQFSQGCBSZHPBL-UHFFFAOYSA-N 2 1 377.248 3.899 20 0 GHADMP COc1cccc([C@@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255123853 1040816003 /nfs/dbraw/zinc/81/60/03/1040816003.db2.gz FEQWYLHZVFETEJ-JTOYRKQZSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255123853 1040816009 /nfs/dbraw/zinc/81/60/09/1040816009.db2.gz FEQWYLHZVFETEJ-JTOYRKQZSA-N 2 1 380.532 3.904 20 0 GHADMP c1ccc(CN2CC(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC001255124944 1040817594 /nfs/dbraw/zinc/81/75/94/1040817594.db2.gz QBJATPZKSADMAG-QEIWAGNOSA-N 2 1 375.560 3.904 20 0 GHADMP c1ccc(C[NH+]2CC(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC001255124944 1040817614 /nfs/dbraw/zinc/81/76/14/1040817614.db2.gz QBJATPZKSADMAG-QEIWAGNOSA-N 2 1 375.560 3.904 20 0 GHADMP c1ccc(C[NH+]2CC(CN[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC001255124944 1040817624 /nfs/dbraw/zinc/81/76/24/1040817624.db2.gz QBJATPZKSADMAG-QEIWAGNOSA-N 2 1 375.560 3.904 20 0 GHADMP O=C(C1CCC1)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255130681 1040823787 /nfs/dbraw/zinc/82/37/87/1040823787.db2.gz HRSAVLSRLOUTGG-NUNAXRQHSA-N 2 1 381.564 3.563 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349210 1040824077 /nfs/dbraw/zinc/82/40/77/1040824077.db2.gz NYPRBYPURZBCSY-ICDZXHCJSA-N 2 1 375.560 3.588 20 0 GHADMP O=C1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](c2ccccc2)N1 ZINC001255129944 1040824337 /nfs/dbraw/zinc/82/43/37/1040824337.db2.gz NYDORAXABUOVCF-BLXXFGQISA-N 2 1 389.543 3.792 20 0 GHADMP [NH3+]C1(c2cccnc2)CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255130844 1040826308 /nfs/dbraw/zinc/82/63/08/1040826308.db2.gz JTTUZSWNPPZZLB-JKHIJQBDSA-N 2 1 376.548 3.527 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CN(c4ncnc5ccccc54)C2)C3)cc1 ZINC001255132251 1040827585 /nfs/dbraw/zinc/82/75/85/1040827585.db2.gz SSOMNWXTDFAOAH-QQFNCUIESA-N 2 1 399.542 3.604 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CN(c4ncnc5ccccc54)C2)C3)cc1 ZINC001255132251 1040827600 /nfs/dbraw/zinc/82/76/00/1040827600.db2.gz SSOMNWXTDFAOAH-QQFNCUIESA-N 2 1 399.542 3.604 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(Cc4ccccc4)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235352652 1040830816 /nfs/dbraw/zinc/83/08/16/1040830816.db2.gz RUBSOHHOGGNKLS-ZCYQVOJMSA-N 2 1 392.543 3.642 20 0 GHADMP COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135673 1040835818 /nfs/dbraw/zinc/83/58/18/1040835818.db2.gz KTVYOWJKUQECSF-KBSKWVFVSA-N 2 1 382.548 3.749 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c2c1ccnc2Cl ZINC001235357982 1040841306 /nfs/dbraw/zinc/84/13/06/1040841306.db2.gz IHAPQNKWMDHSRP-XMSQKQJNSA-N 2 1 380.923 3.806 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c2c1ccnc2Cl ZINC001235357982 1040841317 /nfs/dbraw/zinc/84/13/17/1040841317.db2.gz IHAPQNKWMDHSRP-XMSQKQJNSA-N 2 1 380.923 3.806 20 0 GHADMP CCc1ncnc2c1CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)CC2 ZINC001255142016 1040851962 /nfs/dbraw/zinc/85/19/62/1040851962.db2.gz YFYCEKHCBYENEW-AERCQKQUSA-N 2 1 376.548 3.635 20 0 GHADMP CCc1ncnc2c1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255142016 1040851969 /nfs/dbraw/zinc/85/19/69/1040851969.db2.gz YFYCEKHCBYENEW-AERCQKQUSA-N 2 1 376.548 3.635 20 0 GHADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363722 1040852127 /nfs/dbraw/zinc/85/21/27/1040852127.db2.gz JQVUVXOEBQFCPM-WIOPSUGQSA-N 2 1 387.527 3.997 20 0 GHADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363722 1040852150 /nfs/dbraw/zinc/85/21/50/1040852150.db2.gz JQVUVXOEBQFCPM-WIOPSUGQSA-N 2 1 387.527 3.997 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001255149534 1040865704 /nfs/dbraw/zinc/86/57/04/1040865704.db2.gz IMCPDKWSPYSNSA-LXHROKJGSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001255149534 1040865721 /nfs/dbraw/zinc/86/57/21/1040865721.db2.gz IMCPDKWSPYSNSA-LXHROKJGSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001255149534 1040865741 /nfs/dbraw/zinc/86/57/41/1040865741.db2.gz IMCPDKWSPYSNSA-LXHROKJGSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)C(=O)NC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150831 1040870994 /nfs/dbraw/zinc/87/09/94/1040870994.db2.gz PBNVHKYYPQWIHG-KOUNCHBCSA-N 2 1 383.580 3.809 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(-c4ncccn4)cc2)CC3)cc1 ZINC001235371416 1040876192 /nfs/dbraw/zinc/87/61/92/1040876192.db2.gz QWPGJMAHNMLREH-NOZRDPDXSA-N 2 1 384.527 3.897 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cnc3cc(Br)ccc3c1)C2 ZINC001235402667 1040915402 /nfs/dbraw/zinc/91/54/02/1040915402.db2.gz XTBVAOJJNJBFOG-MSOLQXFVSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cnc3cc(Br)ccc3c1)C2 ZINC001235402667 1040915410 /nfs/dbraw/zinc/91/54/10/1040915410.db2.gz XTBVAOJJNJBFOG-MSOLQXFVSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1cnc3cc(Br)ccc3c1)C2 ZINC001235402673 1040915465 /nfs/dbraw/zinc/91/54/65/1040915465.db2.gz XTBVAOJJNJBFOG-ZWKOTPCHSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cnc3cc(Br)ccc3c1)C2 ZINC001235402673 1040915468 /nfs/dbraw/zinc/91/54/68/1040915468.db2.gz XTBVAOJJNJBFOG-ZWKOTPCHSA-N 2 1 378.289 3.521 20 0 GHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1I ZINC001235429633 1040930774 /nfs/dbraw/zinc/93/07/74/1040930774.db2.gz BSDZWQJXFSRDRG-IRXDYDNUSA-N 2 1 398.332 3.811 20 0 GHADMP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429623 1040931005 /nfs/dbraw/zinc/93/10/05/1040931005.db2.gz BJQDOKGYKIZMLH-HOTGVXAUSA-N 2 1 381.358 3.978 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Br)cn1 ZINC001235430576 1040931503 /nfs/dbraw/zinc/93/15/03/1040931503.db2.gz IQGDXUDBQMJEQR-JKSUJKDBSA-N 2 1 396.373 3.843 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1Br)CC1CC[NH2+]CC1 ZINC001235433421 1040934692 /nfs/dbraw/zinc/93/46/92/1040934692.db2.gz HLXVKVIQOQBVRD-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP CCOC(=O)C1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001255266415 1040934806 /nfs/dbraw/zinc/93/48/06/1040934806.db2.gz MATIGBPPJAKTLT-NULCOVKLSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001255266415 1040934810 /nfs/dbraw/zinc/93/48/10/1040934810.db2.gz MATIGBPPJAKTLT-NULCOVKLSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001255266415 1040934812 /nfs/dbraw/zinc/93/48/12/1040934812.db2.gz MATIGBPPJAKTLT-NULCOVKLSA-N 2 1 384.564 3.952 20 0 GHADMP C[N@@H+](Cc1c(Br)cc(F)cc1Br)CC1CC[NH2+]CC1 ZINC001235433020 1040935047 /nfs/dbraw/zinc/93/50/47/1040935047.db2.gz DNQWWUVVJWLDIE-UHFFFAOYSA-N 2 1 394.126 3.782 20 0 GHADMP C[N@H+](Cc1c(Br)cc(F)cc1Br)CC1CC[NH2+]CC1 ZINC001235433020 1040935048 /nfs/dbraw/zinc/93/50/48/1040935048.db2.gz DNQWWUVVJWLDIE-UHFFFAOYSA-N 2 1 394.126 3.782 20 0 GHADMP C[N@@H+](Cc1c(Br)cccc1Br)CC1CC[NH2+]CC1 ZINC001235434063 1040936155 /nfs/dbraw/zinc/93/61/55/1040936155.db2.gz ZVIWSBDBDNAINH-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP C[N@H+](Cc1c(Br)cccc1Br)CC1CC[NH2+]CC1 ZINC001235434063 1040936156 /nfs/dbraw/zinc/93/61/56/1040936156.db2.gz ZVIWSBDBDNAINH-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348544 1040954841 /nfs/dbraw/zinc/95/48/41/1040954841.db2.gz COTIUJLOSSFSIC-TUFLPTIASA-N 2 1 388.552 3.889 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235481534 1040954946 /nfs/dbraw/zinc/95/49/46/1040954946.db2.gz CSBOIIAPSXRACG-QHCPKHFHSA-N 3 1 379.548 3.802 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC001255382030 1040973146 /nfs/dbraw/zinc/97/31/46/1040973146.db2.gz AXLUSRIGSISACD-OAQYLSRUSA-N 2 1 376.504 3.923 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1 ZINC001235527599 1040976239 /nfs/dbraw/zinc/97/62/39/1040976239.db2.gz YLKLXBMOALPVHU-QFIPXVFZSA-N 2 1 389.609 3.989 20 0 GHADMP Cn1cc(-c2cc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)ccn2)cn1 ZINC001255389760 1040977646 /nfs/dbraw/zinc/97/76/46/1040977646.db2.gz SDKHPQWHYCJJDV-JOCHJYFZSA-N 2 1 375.520 3.626 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389664 1040977946 /nfs/dbraw/zinc/97/79/46/1040977946.db2.gz PDLGQKMDRVFPSF-IRLDBZIGSA-N 2 1 382.504 3.641 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389664 1040977948 /nfs/dbraw/zinc/97/79/48/1040977948.db2.gz PDLGQKMDRVFPSF-IRLDBZIGSA-N 2 1 382.504 3.641 20 0 GHADMP CC(C)(C)C(=O)CN1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391812 1040980038 /nfs/dbraw/zinc/98/00/38/1040980038.db2.gz UZTPOCSSTFTPMS-NRFANRHFSA-N 2 1 385.596 3.710 20 0 GHADMP CCOC(=O)[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391783 1040980172 /nfs/dbraw/zinc/98/01/72/1040980172.db2.gz TYNQCRVOCCFIRO-GOTSBHOMSA-N 2 1 380.532 3.978 20 0 GHADMP COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393770 1040981383 /nfs/dbraw/zinc/98/13/83/1040981383.db2.gz QIFLZAGGTSZOAR-WOJBJXKFSA-N 2 1 393.531 3.765 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)c1 ZINC001235548401 1040982525 /nfs/dbraw/zinc/98/25/25/1040982525.db2.gz UKDCDUNPOWZPDI-RPBOFIJWSA-N 2 1 391.559 3.855 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(C[C@@H]3Cc4ccccc4C[NH2+]3)C[C@H]21 ZINC001235558682 1040986995 /nfs/dbraw/zinc/98/69/95/1040986995.db2.gz LFSCQGFWRFDXAW-CBJLPSGESA-N 2 1 395.616 3.995 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CCC[NH+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400765 1040987213 /nfs/dbraw/zinc/98/72/13/1040987213.db2.gz NQOZKOBOWBHOMO-OAQYLSRUSA-N 3 1 395.595 3.596 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400765 1040987223 /nfs/dbraw/zinc/98/72/23/1040987223.db2.gz NQOZKOBOWBHOMO-OAQYLSRUSA-N 3 1 395.595 3.596 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400765 1040987224 /nfs/dbraw/zinc/98/72/24/1040987224.db2.gz NQOZKOBOWBHOMO-OAQYLSRUSA-N 3 1 395.595 3.596 20 0 GHADMP CC(C)N(C)Cc1nn([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400765 1040987225 /nfs/dbraw/zinc/98/72/25/1040987225.db2.gz NQOZKOBOWBHOMO-OAQYLSRUSA-N 2 1 395.595 3.596 20 0 GHADMP CC(C)N(C)Cc1nn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400765 1040987227 /nfs/dbraw/zinc/98/72/27/1040987227.db2.gz NQOZKOBOWBHOMO-OAQYLSRUSA-N 2 1 395.595 3.596 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255402019 1040989279 /nfs/dbraw/zinc/98/92/79/1040989279.db2.gz ZRZMZCKSKMVPPY-NRFANRHFSA-N 2 1 394.563 3.719 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255402019 1040989282 /nfs/dbraw/zinc/98/92/82/1040989282.db2.gz ZRZMZCKSKMVPPY-NRFANRHFSA-N 2 1 394.563 3.719 20 0 GHADMP CC(C)Oc1ncnc2c1CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255402019 1040989284 /nfs/dbraw/zinc/98/92/84/1040989284.db2.gz ZRZMZCKSKMVPPY-NRFANRHFSA-N 2 1 394.563 3.719 20 0 GHADMP CC(C)Oc1ncnc2c1CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402019 1040989285 /nfs/dbraw/zinc/98/92/85/1040989285.db2.gz ZRZMZCKSKMVPPY-NRFANRHFSA-N 2 1 394.563 3.719 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255405289 1040992671 /nfs/dbraw/zinc/99/26/71/1040992671.db2.gz YYDCROAPCOYHLJ-XPWALMASSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255405289 1040992672 /nfs/dbraw/zinc/99/26/72/1040992672.db2.gz YYDCROAPCOYHLJ-XPWALMASSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255405289 1040992674 /nfs/dbraw/zinc/99/26/74/1040992674.db2.gz YYDCROAPCOYHLJ-XPWALMASSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255408814 1040996336 /nfs/dbraw/zinc/99/63/36/1040996336.db2.gz BZTLDXNXWGROPD-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255408814 1040996351 /nfs/dbraw/zinc/99/63/51/1040996351.db2.gz BZTLDXNXWGROPD-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255408814 1040996355 /nfs/dbraw/zinc/99/63/55/1040996355.db2.gz BZTLDXNXWGROPD-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP CCN1CC[C@@]2(C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001235582357 1040996836 /nfs/dbraw/zinc/99/68/36/1040996836.db2.gz HXTIHBZZIKIAEL-VWNXMTODSA-N 2 1 383.580 3.637 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409899 1040999624 /nfs/dbraw/zinc/99/96/24/1040999624.db2.gz MSQACVBMDRWSFM-PKTZIBPZSA-N 2 1 389.543 3.771 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409899 1040999626 /nfs/dbraw/zinc/99/96/26/1040999626.db2.gz MSQACVBMDRWSFM-PKTZIBPZSA-N 2 1 389.543 3.771 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409899 1040999629 /nfs/dbraw/zinc/99/96/29/1040999629.db2.gz MSQACVBMDRWSFM-PKTZIBPZSA-N 2 1 389.543 3.771 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660603 1041109836 /nfs/dbraw/zinc/10/98/36/1041109836.db2.gz HHSNUQRFUMKNIR-QLVMHMETSA-N 2 1 386.490 3.675 20 0 GHADMP c1c(C2CC[NH2+]CC2)nn2cc(C[N@@H+]3CCC[C@@H](Cc4ccccc4)C3)cnc12 ZINC001235673582 1041132722 /nfs/dbraw/zinc/13/27/22/1041132722.db2.gz OWSHGDINAYOSMT-FQEVSTJZSA-N 2 1 389.547 3.651 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255606800 1041161482 /nfs/dbraw/zinc/16/14/82/1041161482.db2.gz FWUMGRADYLTYQT-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255606800 1041161490 /nfs/dbraw/zinc/16/14/90/1041161490.db2.gz FWUMGRADYLTYQT-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255606800 1041161496 /nfs/dbraw/zinc/16/14/96/1041161496.db2.gz FWUMGRADYLTYQT-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255606800 1041161509 /nfs/dbraw/zinc/16/15/09/1041161509.db2.gz FWUMGRADYLTYQT-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710920 1041235640 /nfs/dbraw/zinc/23/56/40/1041235640.db2.gz BJVFFZWBVWKFRY-FUMNGEBKSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710920 1041235652 /nfs/dbraw/zinc/23/56/52/1041235652.db2.gz BJVFFZWBVWKFRY-FUMNGEBKSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710920 1041235669 /nfs/dbraw/zinc/23/56/69/1041235669.db2.gz BJVFFZWBVWKFRY-FUMNGEBKSA-N 2 1 397.485 3.725 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001255727424 1041251840 /nfs/dbraw/zinc/25/18/40/1041251840.db2.gz DEDGNKPNPRLEKP-SFHVURJKSA-N 2 1 387.568 3.844 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)CSc3ccc(C)cc3)CC2)C1 ZINC001255770881 1041286097 /nfs/dbraw/zinc/28/60/97/1041286097.db2.gz PNVWUOSMIGFZDO-MOPGFXCFSA-N 2 1 390.593 3.825 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H](C)CSc3ccc(C)cc3)CC2)C1 ZINC001255770881 1041286105 /nfs/dbraw/zinc/28/61/05/1041286105.db2.gz PNVWUOSMIGFZDO-MOPGFXCFSA-N 2 1 390.593 3.825 20 0 GHADMP C[C@@H](CS(=O)(=O)c1ccccc1)[N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255810049 1041316311 /nfs/dbraw/zinc/31/63/11/1041316311.db2.gz PFRWNSTZOYOFTQ-IHPCNDPISA-N 2 1 378.582 3.611 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255916185 1041400222 /nfs/dbraw/zinc/40/02/22/1041400222.db2.gz SSZLFLQMSCUMHH-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255916185 1041400228 /nfs/dbraw/zinc/40/02/28/1041400228.db2.gz SSZLFLQMSCUMHH-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255916185 1041400232 /nfs/dbraw/zinc/40/02/32/1041400232.db2.gz SSZLFLQMSCUMHH-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255916185 1041400239 /nfs/dbraw/zinc/40/02/39/1041400239.db2.gz SSZLFLQMSCUMHH-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)Oc1ccccc1OC1CC[NH+](C[C@@H]2[C@H](C)C[NH2+]CC2(F)F)CC1 ZINC001235968609 1041472924 /nfs/dbraw/zinc/47/29/24/1041472924.db2.gz JTGQXDXGSBQNDP-SJLPKXTDSA-N 2 1 382.495 3.808 20 0 GHADMP CC(C)Oc1ccccc1OC1CC[NH+](C[C@H]2[C@H](C)C[NH2+]CC2(F)F)CC1 ZINC001235968607 1041473324 /nfs/dbraw/zinc/47/33/24/1041473324.db2.gz JTGQXDXGSBQNDP-AEFFLSMTSA-N 2 1 382.495 3.808 20 0 GHADMP Clc1ncnc2ccc(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)cc12 ZINC001235978523 1041483873 /nfs/dbraw/zinc/48/38/73/1041483873.db2.gz ULSONBRBGACIHD-UHFFFAOYSA-N 2 1 378.907 3.920 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1OC(F)(F)F ZINC001236014017 1041507757 /nfs/dbraw/zinc/50/77/57/1041507757.db2.gz CXVLWXMFJKIFGU-XLIONFOSSA-N 2 1 392.421 3.567 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1OC(F)(F)F ZINC001236014017 1041507763 /nfs/dbraw/zinc/50/77/63/1041507763.db2.gz CXVLWXMFJKIFGU-XLIONFOSSA-N 2 1 392.421 3.567 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C2CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC001256076399 1041510767 /nfs/dbraw/zinc/51/07/67/1041510767.db2.gz FYFRDUYPPDCVRF-UHFFFAOYSA-N 2 1 391.600 3.972 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001236259092 1041644955 /nfs/dbraw/zinc/64/49/55/1041644955.db2.gz QRLCQMILXRIXCU-QHCPKHFHSA-N 2 1 384.495 3.912 20 0 GHADMP OCCCCCC[N@@H+](Cc1ccccc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001236314323 1041667585 /nfs/dbraw/zinc/66/75/85/1041667585.db2.gz KRZRJSFDNQDYEP-UHFFFAOYSA-N 2 1 395.591 3.647 20 0 GHADMP Brc1ccc(C[N@@H+](CCC2CCOCC2)C2CC[NH2+]CC2)cc1 ZINC001236377848 1041689586 /nfs/dbraw/zinc/68/95/86/1041689586.db2.gz OXHPGXLNMZZMOH-UHFFFAOYSA-N 2 1 381.358 3.820 20 0 GHADMP Brc1ccc(C[N@H+](Cc2ccn3nccc3c2)C2CC[NH2+]CC2)cc1 ZINC001236378715 1041689666 /nfs/dbraw/zinc/68/96/66/1041689666.db2.gz VVOXIHKEGLXSCG-UHFFFAOYSA-N 2 1 399.336 3.851 20 0 GHADMP Brc1ccc(C[N@@H+](Cc2ccn3nccc3c2)C2CC[NH2+]CC2)cc1 ZINC001236378715 1041689670 /nfs/dbraw/zinc/68/96/70/1041689670.db2.gz VVOXIHKEGLXSCG-UHFFFAOYSA-N 2 1 399.336 3.851 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001256324805 1041703463 /nfs/dbraw/zinc/70/34/63/1041703463.db2.gz QOCOVQXWXDGMNU-UHFFFAOYSA-N 2 1 384.568 3.658 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC001236412935 1041706117 /nfs/dbraw/zinc/70/61/17/1041706117.db2.gz YWNIIIQTRCXHHO-HKUYNNGSSA-N 2 1 392.421 3.695 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC001236412935 1041706125 /nfs/dbraw/zinc/70/61/25/1041706125.db2.gz YWNIIIQTRCXHHO-HKUYNNGSSA-N 2 1 392.421 3.695 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236438884 1041711127 /nfs/dbraw/zinc/71/11/27/1041711127.db2.gz AJCBCCFOCGLAFS-UHFFFAOYSA-N 2 1 376.504 3.840 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236438884 1041711130 /nfs/dbraw/zinc/71/11/30/1041711130.db2.gz AJCBCCFOCGLAFS-UHFFFAOYSA-N 2 1 376.504 3.840 20 0 GHADMP COc1ccc(C[N@@H+](CCc2cccnc2OC(C)C)C2CC[NH2+]CC2)cc1 ZINC001236438990 1041711146 /nfs/dbraw/zinc/71/11/46/1041711146.db2.gz CTZYHSCNGAYGLH-UHFFFAOYSA-N 2 1 383.536 3.674 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C2CC[NH2+]CC2)cc1 ZINC001236441833 1041713501 /nfs/dbraw/zinc/71/35/01/1041713501.db2.gz GPJLAZMYRNGNDX-UHFFFAOYSA-N 2 1 394.494 3.979 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C2CC[NH2+]CC2)cc1 ZINC001236441833 1041713505 /nfs/dbraw/zinc/71/35/05/1041713505.db2.gz GPJLAZMYRNGNDX-UHFFFAOYSA-N 2 1 394.494 3.979 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCCc2ccccc2F)C2CC[NH2+]CC2)c1 ZINC001236464811 1041726145 /nfs/dbraw/zinc/72/61/45/1041726145.db2.gz KPQHHGSXPITMQE-UHFFFAOYSA-N 2 1 384.495 3.799 20 0 GHADMP CCOC1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001256439589 1041733297 /nfs/dbraw/zinc/73/32/97/1041733297.db2.gz XKNKYWCANXFCNE-UHFFFAOYSA-N 2 1 378.582 3.763 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001236535834 1041755535 /nfs/dbraw/zinc/75/55/35/1041755535.db2.gz MABHPIPDOFXSBU-GOSISDBHSA-N 2 1 386.565 3.665 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)ccc1O ZINC001236558759 1041762458 /nfs/dbraw/zinc/76/24/58/1041762458.db2.gz ZRVMZZOAFUOMCK-MXVIHJGJSA-N 2 1 382.504 3.759 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236561847 1041763647 /nfs/dbraw/zinc/76/36/47/1041763647.db2.gz PXXIMFUVVRZXPT-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc(Br)c[nH]c2=O)C2CCCCC2)CC1 ZINC001236565818 1041764709 /nfs/dbraw/zinc/76/47/09/1041764709.db2.gz OKSJCLZYPPINLJ-JCNLHEQBSA-N 2 1 382.346 3.954 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001236564556 1041764754 /nfs/dbraw/zinc/76/47/54/1041764754.db2.gz IEGZXBQIZKOWDP-QAQDUYKDSA-N 2 1 375.419 3.675 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c1OCc1ccccc1 ZINC001236620755 1041787515 /nfs/dbraw/zinc/78/75/15/1041787515.db2.gz DDRNBNYMRJNSAU-QHCPKHFHSA-N 2 1 379.548 3.571 20 0 GHADMP CCOc1cc(C[N@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c(F)cn1 ZINC001236713422 1041850092 /nfs/dbraw/zinc/85/00/92/1041850092.db2.gz CEYHJDPFINRKFF-WGSAOQKQSA-N 2 1 387.499 3.900 20 0 GHADMP CCOc1cc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c(F)cn1 ZINC001236713422 1041850095 /nfs/dbraw/zinc/85/00/95/1041850095.db2.gz CEYHJDPFINRKFF-WGSAOQKQSA-N 2 1 387.499 3.900 20 0 GHADMP COc1cccc([C@H]2CC[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236968978 1041972910 /nfs/dbraw/zinc/97/29/10/1041972910.db2.gz VPELWPWYNKGPDX-FQEVSTJZSA-N 2 1 383.511 3.576 20 0 GHADMP COc1cccc([C@H]2CC[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236968978 1041972913 /nfs/dbraw/zinc/97/29/13/1041972913.db2.gz VPELWPWYNKGPDX-FQEVSTJZSA-N 2 1 383.511 3.576 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc4c3CCN4C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001236973338 1041973301 /nfs/dbraw/zinc/97/33/01/1041973301.db2.gz ADEVBORVJAERHC-RTBURBONSA-N 2 1 385.552 3.758 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CC[NH+](C)CC2)C2(CC2)C1 ZINC001237100356 1042035848 /nfs/dbraw/zinc/03/58/48/1042035848.db2.gz ZBKPULOVADNBOQ-HNNXBMFYSA-N 2 1 378.358 3.575 20 0 GHADMP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001462589373 1070394486 /nfs/dbraw/zinc/39/44/86/1070394486.db2.gz VZWAOBAFOSUKGV-WOJBJXKFSA-N 2 1 381.486 3.513 20 0 GHADMP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001462589373 1070394504 /nfs/dbraw/zinc/39/45/04/1070394504.db2.gz VZWAOBAFOSUKGV-WOJBJXKFSA-N 2 1 381.486 3.513 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ccccn3n1)CC2 ZINC001237447021 1042210562 /nfs/dbraw/zinc/21/05/62/1042210562.db2.gz PTABSTKOEKBPCB-FQEVSTJZSA-N 2 1 396.560 3.651 20 0 GHADMP COc1c(C)cccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001237504146 1042239709 /nfs/dbraw/zinc/23/97/09/1042239709.db2.gz UBROBZFYDMKLRR-FQEVSTJZSA-N 2 1 384.520 3.852 20 0 GHADMP COc1c(C)cccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001237510203 1042243032 /nfs/dbraw/zinc/24/30/32/1042243032.db2.gz FOLCIUGWNJFSQW-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP FC(F)Oc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccn1 ZINC001237615217 1042283119 /nfs/dbraw/zinc/28/31/19/1042283119.db2.gz PMCOPKCVESDCHF-UHFFFAOYSA-N 2 1 388.462 3.566 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001237708608 1042336333 /nfs/dbraw/zinc/33/63/33/1042336333.db2.gz QWPRFWZXEDWNRC-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4cnc(C5CC5)s4)CC3)C2)c1 ZINC001237784751 1042368400 /nfs/dbraw/zinc/36/84/00/1042368400.db2.gz DEPNANSEDQMQHF-UHFFFAOYSA-N 2 1 389.590 3.949 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(C5CC5)s4)CC3)C2)c1 ZINC001237784751 1042368403 /nfs/dbraw/zinc/36/84/03/1042368403.db2.gz DEPNANSEDQMQHF-UHFFFAOYSA-N 2 1 389.590 3.949 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3c(F)cc(C(=O)OC(C)(C)C)cc3F)C2)CC1 ZINC001237867778 1042401246 /nfs/dbraw/zinc/40/12/46/1042401246.db2.gz FVINHPISEUKIMJ-UHFFFAOYSA-N 2 1 380.479 3.838 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(F)cc(C(=O)OC(C)(C)C)cc3F)C2)CC1 ZINC001237867778 1042401251 /nfs/dbraw/zinc/40/12/51/1042401251.db2.gz FVINHPISEUKIMJ-UHFFFAOYSA-N 2 1 380.479 3.838 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@H](F)[C@@](O)(C(F)(F)F)CC3)cc21 ZINC001237880974 1042407607 /nfs/dbraw/zinc/40/76/07/1042407607.db2.gz LQHBWOJOSFXFNX-IEBWSBKVSA-N 2 1 386.433 3.915 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](CCc3c(Cl)cccc3Cl)C[C@H]2CC1 ZINC001278232356 1042594882 /nfs/dbraw/zinc/59/48/82/1042594882.db2.gz VRUZOHLGMWWZMD-CALCHBBNSA-N 2 1 384.395 3.741 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](CCc3c(Cl)cccc3Cl)C[C@H]2CC1 ZINC001278232356 1042594884 /nfs/dbraw/zinc/59/48/84/1042594884.db2.gz VRUZOHLGMWWZMD-CALCHBBNSA-N 2 1 384.395 3.741 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](CCc3c(Cl)cccc3Cl)C[C@H]2CC1 ZINC001278232356 1042594887 /nfs/dbraw/zinc/59/48/87/1042594887.db2.gz VRUZOHLGMWWZMD-CALCHBBNSA-N 2 1 384.395 3.741 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](CCc3c(Cl)cccc3Cl)C[C@H]2CC1 ZINC001278232356 1042594889 /nfs/dbraw/zinc/59/48/89/1042594889.db2.gz VRUZOHLGMWWZMD-CALCHBBNSA-N 2 1 384.395 3.741 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](CCc3c(Cl)cccc3Cl)C[C@H]2CC1 ZINC001278232356 1042594892 /nfs/dbraw/zinc/59/48/92/1042594892.db2.gz VRUZOHLGMWWZMD-CALCHBBNSA-N 2 1 384.395 3.741 20 0 GHADMP COc1c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc(F)c1F ZINC001238474740 1042609458 /nfs/dbraw/zinc/60/94/58/1042609458.db2.gz WWBFCENTWSQSKD-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(F)cn1 ZINC001238735390 1042707049 /nfs/dbraw/zinc/70/70/49/1042707049.db2.gz OTGALGCKVUNGCH-VQTJNVASSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)cn1 ZINC001238735390 1042707051 /nfs/dbraw/zinc/70/70/51/1042707051.db2.gz OTGALGCKVUNGCH-VQTJNVASSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)cn1 ZINC001238735390 1042707053 /nfs/dbraw/zinc/70/70/53/1042707053.db2.gz OTGALGCKVUNGCH-VQTJNVASSA-N 2 1 383.511 3.963 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001256530556 1043461197 /nfs/dbraw/zinc/46/11/97/1043461197.db2.gz NCVGTPKBLMLQPI-SIKLNZKXSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256530556 1043461204 /nfs/dbraw/zinc/46/12/04/1043461204.db2.gz NCVGTPKBLMLQPI-SIKLNZKXSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccncc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535143 1043474353 /nfs/dbraw/zinc/47/43/53/1043474353.db2.gz DCYCHZFHZSCYQE-REWPJTCUSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccncc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256535143 1043474361 /nfs/dbraw/zinc/47/43/61/1043474361.db2.gz DCYCHZFHZSCYQE-REWPJTCUSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256542304 1043494027 /nfs/dbraw/zinc/49/40/27/1043494027.db2.gz OCTLZNJFGOAUOK-WFMNFSIZSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256542304 1043494038 /nfs/dbraw/zinc/49/40/38/1043494038.db2.gz OCTLZNJFGOAUOK-WFMNFSIZSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542304 1043494046 /nfs/dbraw/zinc/49/40/46/1043494046.db2.gz OCTLZNJFGOAUOK-WFMNFSIZSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@@H](CNC(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256542304 1043494051 /nfs/dbraw/zinc/49/40/51/1043494051.db2.gz OCTLZNJFGOAUOK-WFMNFSIZSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC[N@@H+]1Cc1ccccc1 ZINC001256546655 1043507863 /nfs/dbraw/zinc/50/78/63/1043507863.db2.gz NGBCHQBDOYTYIR-QVNIBDNGSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC[N@H+]1Cc1ccccc1 ZINC001256546655 1043507885 /nfs/dbraw/zinc/50/78/85/1043507885.db2.gz NGBCHQBDOYTYIR-QVNIBDNGSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC[NH+]1Cc1ccccc1 ZINC001256546655 1043507895 /nfs/dbraw/zinc/50/78/95/1043507895.db2.gz NGBCHQBDOYTYIR-QVNIBDNGSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC[NH+]1Cc1ccccc1 ZINC001256546655 1043507917 /nfs/dbraw/zinc/50/79/17/1043507917.db2.gz NGBCHQBDOYTYIR-QVNIBDNGSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548669 1043510014 /nfs/dbraw/zinc/51/00/14/1043510014.db2.gz BWUIIFBIAIAVMC-HMXCVIKNSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548669 1043510024 /nfs/dbraw/zinc/51/00/24/1043510024.db2.gz BWUIIFBIAIAVMC-HMXCVIKNSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548669 1043510035 /nfs/dbraw/zinc/51/00/35/1043510035.db2.gz BWUIIFBIAIAVMC-HMXCVIKNSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548669 1043510042 /nfs/dbraw/zinc/51/00/42/1043510042.db2.gz BWUIIFBIAIAVMC-HMXCVIKNSA-N 2 1 387.568 3.981 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256548154 1043510566 /nfs/dbraw/zinc/51/05/66/1043510566.db2.gz XDHQELIAIRPQCV-TUACAJSNSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256548154 1043510580 /nfs/dbraw/zinc/51/05/80/1043510580.db2.gz XDHQELIAIRPQCV-TUACAJSNSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256548154 1043510590 /nfs/dbraw/zinc/51/05/90/1043510590.db2.gz XDHQELIAIRPQCV-TUACAJSNSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256548154 1043510598 /nfs/dbraw/zinc/51/05/98/1043510598.db2.gz XDHQELIAIRPQCV-TUACAJSNSA-N 2 1 383.580 3.907 20 0 GHADMP COC1CC[NH+](C2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)CC1 ZINC001256559296 1043532518 /nfs/dbraw/zinc/53/25/18/1043532518.db2.gz KMBAZLTUEFDYPG-NFBKMPQASA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@@H](n2c3ccccc3nc2N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559719 1043534767 /nfs/dbraw/zinc/53/47/67/1043534767.db2.gz NHEJWRKXTLOBIS-FPOVZHCZSA-N 2 1 389.547 3.672 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001256601393 1043564062 /nfs/dbraw/zinc/56/40/62/1043564062.db2.gz WCTOETWXUKWRIG-QHCPKHFHSA-N 2 1 379.548 3.524 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001256605990 1043569370 /nfs/dbraw/zinc/56/93/70/1043569370.db2.gz OFWKCMGELKIGJF-IFMALSPDSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001256605990 1043569380 /nfs/dbraw/zinc/56/93/80/1043569380.db2.gz OFWKCMGELKIGJF-IFMALSPDSA-N 2 1 399.579 3.982 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606776 1043571898 /nfs/dbraw/zinc/57/18/98/1043571898.db2.gz ZLZRWMNSBUDUJV-QHCPKHFHSA-N 2 1 395.572 3.842 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606776 1043571906 /nfs/dbraw/zinc/57/19/06/1043571906.db2.gz ZLZRWMNSBUDUJV-QHCPKHFHSA-N 2 1 395.572 3.842 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001256609357 1043573730 /nfs/dbraw/zinc/57/37/30/1043573730.db2.gz NHACGLNPYCERRQ-NHCUHLMSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001256609357 1043573737 /nfs/dbraw/zinc/57/37/37/1043573737.db2.gz NHACGLNPYCERRQ-NHCUHLMSSA-N 2 1 399.579 3.840 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001256639234 1043587302 /nfs/dbraw/zinc/58/73/02/1043587302.db2.gz PLYFIXMWTZZMKR-FCHUYYIVSA-N 2 1 383.511 3.843 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001256639234 1043587312 /nfs/dbraw/zinc/58/73/12/1043587312.db2.gz PLYFIXMWTZZMKR-FCHUYYIVSA-N 2 1 383.511 3.843 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001256663971 1043607335 /nfs/dbraw/zinc/60/73/35/1043607335.db2.gz OIVNONSRQCVYTI-NGCWXFERSA-N 2 1 399.579 3.885 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001256663971 1043607343 /nfs/dbraw/zinc/60/73/43/1043607343.db2.gz OIVNONSRQCVYTI-NGCWXFERSA-N 2 1 399.579 3.885 20 0 GHADMP c1ccc2c(c1)[C@@H]1C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)C[C@@H]1[C@H]2OCC1CC1 ZINC001256694598 1043627770 /nfs/dbraw/zinc/62/77/70/1043627770.db2.gz ZUQBMEOXNALMKX-KZGSZHBFSA-N 2 1 396.575 3.827 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855488 1043705156 /nfs/dbraw/zinc/70/51/56/1043705156.db2.gz MVURPUFUWIMGOE-QFIPXVFZSA-N 2 1 379.504 3.648 20 0 GHADMP c1ccc2c(c1)CCC[C@@H]2N1CC[NH+](C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256862622 1043709095 /nfs/dbraw/zinc/70/90/95/1043709095.db2.gz PTDIRPXUGQIBFB-DEOSSOPVSA-N 2 1 376.548 3.746 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C(=[NH2+])N[C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256901186 1043731181 /nfs/dbraw/zinc/73/11/81/1043731181.db2.gz DVNCZDGGRYOVIN-QGZVFWFLSA-N 2 1 378.561 3.607 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900904 1043731841 /nfs/dbraw/zinc/73/18/41/1043731841.db2.gz CFGRVVFRJCZLOZ-CVDCTZTESA-N 2 1 383.536 3.654 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900904 1043731849 /nfs/dbraw/zinc/73/18/49/1043731849.db2.gz CFGRVVFRJCZLOZ-CVDCTZTESA-N 2 1 383.536 3.654 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001292464969 1043748201 /nfs/dbraw/zinc/74/82/01/1043748201.db2.gz RBMJSRVQWRFROZ-NRFANRHFSA-N 2 1 393.575 3.804 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001292464969 1043748213 /nfs/dbraw/zinc/74/82/13/1043748213.db2.gz RBMJSRVQWRFROZ-NRFANRHFSA-N 2 1 393.575 3.804 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001292464970 1043748253 /nfs/dbraw/zinc/74/82/53/1043748253.db2.gz RBMJSRVQWRFROZ-OAQYLSRUSA-N 2 1 393.575 3.804 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001292464970 1043748261 /nfs/dbraw/zinc/74/82/61/1043748261.db2.gz RBMJSRVQWRFROZ-OAQYLSRUSA-N 2 1 393.575 3.804 20 0 GHADMP CCCC[NH+](CCCC)CC[NH2+]C1CCC(C(=O)OCC)(C(=O)OCC)CC1 ZINC001256996372 1043792726 /nfs/dbraw/zinc/79/27/26/1043792726.db2.gz XSZGYAYGNGHODO-UHFFFAOYSA-N 2 1 398.588 3.533 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257214498 1043938839 /nfs/dbraw/zinc/93/88/39/1043938839.db2.gz FYKJBFBHYZTHDG-QFIPXVFZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257214498 1043938844 /nfs/dbraw/zinc/93/88/44/1043938844.db2.gz FYKJBFBHYZTHDG-QFIPXVFZSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CC([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257579489 1044065780 /nfs/dbraw/zinc/06/57/80/1044065780.db2.gz RWGTUTGCEXSAPT-IRXDYDNUSA-N 3 1 398.636 3.638 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001257765036 1044154594 /nfs/dbraw/zinc/15/45/94/1044154594.db2.gz YULSKBBSBIHHJM-PGFLUOATSA-N 2 1 379.589 3.878 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001293470659 1044198141 /nfs/dbraw/zinc/19/81/41/1044198141.db2.gz OADOTRLCOXCCMX-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001293470659 1044198150 /nfs/dbraw/zinc/19/81/50/1044198150.db2.gz OADOTRLCOXCCMX-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC001293470659 1044198157 /nfs/dbraw/zinc/19/81/57/1044198157.db2.gz OADOTRLCOXCCMX-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC001293470659 1044198163 /nfs/dbraw/zinc/19/81/63/1044198163.db2.gz OADOTRLCOXCCMX-XXBNENTESA-N 2 1 397.538 3.817 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257821272 1044203345 /nfs/dbraw/zinc/20/33/45/1044203345.db2.gz KJKKUDDJIRTKLE-SIKLNZKXSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257821272 1044203351 /nfs/dbraw/zinc/20/33/51/1044203351.db2.gz KJKKUDDJIRTKLE-SIKLNZKXSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC1 ZINC001258012243 1044340363 /nfs/dbraw/zinc/34/03/63/1044340363.db2.gz QUULSFLMJMNYQH-VWLOTQADSA-N 2 1 397.607 3.664 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+](C4CC[NH+](CC(C)C)CC4)C3)CC2=O)s1 ZINC001258014952 1044341488 /nfs/dbraw/zinc/34/14/88/1044341488.db2.gz OPOQAUHZVIEEMT-OAQYLSRUSA-N 2 1 375.582 3.606 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4CC[NH+](CC(C)C)CC4)C3)CC2=O)s1 ZINC001258014952 1044341505 /nfs/dbraw/zinc/34/15/05/1044341505.db2.gz OPOQAUHZVIEEMT-OAQYLSRUSA-N 2 1 375.582 3.606 20 0 GHADMP CCOC(=O)CC1CCC(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001258032621 1044358252 /nfs/dbraw/zinc/35/82/52/1044358252.db2.gz FHQJHODEUYFDDO-VIQWUECVSA-N 2 1 390.572 3.612 20 0 GHADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCCc2ccccc21 ZINC001258135442 1044419637 /nfs/dbraw/zinc/41/96/37/1044419637.db2.gz HWRBWKDEPUFBMN-UHFFFAOYSA-N 2 1 391.559 3.653 20 0 GHADMP CC[N@H+](CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258148453 1044438471 /nfs/dbraw/zinc/43/84/71/1044438471.db2.gz ITEISIYTTKXSSS-UHFFFAOYSA-N 2 1 389.584 3.882 20 0 GHADMP CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258148453 1044438477 /nfs/dbraw/zinc/43/84/77/1044438477.db2.gz ITEISIYTTKXSSS-UHFFFAOYSA-N 2 1 389.584 3.882 20 0 GHADMP COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001258358049 1044521485 /nfs/dbraw/zinc/52/14/85/1044521485.db2.gz MPVNEIRTGHEEQA-AJSBUHFISA-N 2 1 380.532 3.976 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401553 1044538939 /nfs/dbraw/zinc/53/89/39/1044538939.db2.gz NESAXUBNTQICRO-NGYIFUPDSA-N 2 1 386.580 3.697 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401553 1044538955 /nfs/dbraw/zinc/53/89/55/1044538955.db2.gz NESAXUBNTQICRO-NGYIFUPDSA-N 2 1 386.580 3.697 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401553 1044538973 /nfs/dbraw/zinc/53/89/73/1044538973.db2.gz NESAXUBNTQICRO-NGYIFUPDSA-N 2 1 386.580 3.697 20 0 GHADMP CCOC(=O)CC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001258490975 1044580052 /nfs/dbraw/zinc/58/00/52/1044580052.db2.gz DVCZNQXCSLGNDI-QZTJIDSGSA-N 2 1 394.581 3.535 20 0 GHADMP Clc1ccccc1N1CCC([N@H+]2CCc3onc(Cn4ccnc4)c3C2)CC1 ZINC001258542524 1044618503 /nfs/dbraw/zinc/61/85/03/1044618503.db2.gz OEMWAJSDKDCLAG-UHFFFAOYSA-N 2 1 397.910 3.600 20 0 GHADMP Clc1ccccc1N1CCC(N2CCc3onc(Cn4ccnc4)c3C2)CC1 ZINC001258542524 1044618504 /nfs/dbraw/zinc/61/85/04/1044618504.db2.gz OEMWAJSDKDCLAG-UHFFFAOYSA-N 2 1 397.910 3.600 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258585882 1044658046 /nfs/dbraw/zinc/65/80/46/1044658046.db2.gz WMMDPUDAPBRUKG-NRFANRHFSA-N 2 1 392.547 3.510 20 0 GHADMP CCCCC[C@@H](CCC)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258670034 1044703976 /nfs/dbraw/zinc/70/39/76/1044703976.db2.gz WPJIEVAHIMHNCZ-TZIWHRDSSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCC[C@@H](CCC)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258670034 1044703989 /nfs/dbraw/zinc/70/39/89/1044703989.db2.gz WPJIEVAHIMHNCZ-TZIWHRDSSA-N 2 1 391.604 3.576 20 0 GHADMP CCCC[C@H](Cc1ccccc1)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001258712463 1044731444 /nfs/dbraw/zinc/73/14/44/1044731444.db2.gz UTHHFUFPEZIERA-JOCHJYFZSA-N 2 1 398.595 3.969 20 0 GHADMP COc1cc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC001258853100 1044793335 /nfs/dbraw/zinc/79/33/35/1044793335.db2.gz OXGOIRHQTZQGTC-SFHVURJKSA-N 2 1 398.547 3.898 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)n1 ZINC001261262259 1045946535 /nfs/dbraw/zinc/94/65/35/1045946535.db2.gz RWRXHYXNIYZNES-ICDVORIESA-N 2 1 398.599 3.674 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001261262259 1045946540 /nfs/dbraw/zinc/94/65/40/1045946540.db2.gz RWRXHYXNIYZNES-ICDVORIESA-N 2 1 398.599 3.674 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001261262259 1045946541 /nfs/dbraw/zinc/94/65/41/1045946541.db2.gz RWRXHYXNIYZNES-ICDVORIESA-N 2 1 398.599 3.674 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[nH+]1 ZINC001261262259 1045946542 /nfs/dbraw/zinc/94/65/42/1045946542.db2.gz RWRXHYXNIYZNES-ICDVORIESA-N 3 1 398.599 3.674 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[nH+]1 ZINC001261262259 1045946543 /nfs/dbraw/zinc/94/65/43/1045946543.db2.gz RWRXHYXNIYZNES-ICDVORIESA-N 3 1 398.599 3.674 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC001261262259 1045946544 /nfs/dbraw/zinc/94/65/44/1045946544.db2.gz RWRXHYXNIYZNES-ICDVORIESA-N 3 1 398.599 3.674 20 0 GHADMP CC(C)c1cc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC001261262259 1045946550 /nfs/dbraw/zinc/94/65/50/1045946550.db2.gz RWRXHYXNIYZNES-ICDVORIESA-N 3 1 398.599 3.674 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261374827 1045984827 /nfs/dbraw/zinc/98/48/27/1045984827.db2.gz VFKBXAYFSNEDMV-HXUWFJFHSA-N 2 1 398.595 3.736 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262257833 1046222449 /nfs/dbraw/zinc/22/24/49/1046222449.db2.gz UDTLZNYBTQAYEV-YRXWBPOGSA-N 2 1 379.589 3.922 20 0 GHADMP Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)cs1 ZINC001262556838 1046267704 /nfs/dbraw/zinc/26/77/04/1046267704.db2.gz DNZDTMOGTURIRN-JOCHJYFZSA-N 2 1 395.572 3.744 20 0 GHADMP Cc1nc(-c2ccc(CC[NH2+]C[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)cs1 ZINC001262556838 1046267708 /nfs/dbraw/zinc/26/77/08/1046267708.db2.gz DNZDTMOGTURIRN-JOCHJYFZSA-N 2 1 395.572 3.744 20 0 GHADMP O=C([C@H]1CCCCC12CC[NH2+]CC2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001263184245 1046624500 /nfs/dbraw/zinc/62/45/00/1046624500.db2.gz NVFHIEPPARRTSS-YTFSRNRJSA-N 2 1 395.591 3.527 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)o1 ZINC001301866370 1046734681 /nfs/dbraw/zinc/73/46/81/1046734681.db2.gz CQVZLKMVQGLPDA-GHTZIAJQSA-N 2 1 383.536 3.762 20 0 GHADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001304001648 1047558189 /nfs/dbraw/zinc/55/81/89/1047558189.db2.gz FBHVDDDCCIAAPR-REWPJTCUSA-N 2 1 385.596 3.518 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001304001648 1047558192 /nfs/dbraw/zinc/55/81/92/1047558192.db2.gz FBHVDDDCCIAAPR-REWPJTCUSA-N 2 1 385.596 3.518 20 0 GHADMP COC(=O)c1cc(Br)cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1 ZINC001279349537 1047775706 /nfs/dbraw/zinc/77/57/06/1047775706.db2.gz WHAORTOGHYEJCD-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP COC(=O)c1cc(Br)cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1 ZINC001279349537 1047775713 /nfs/dbraw/zinc/77/57/13/1047775713.db2.gz WHAORTOGHYEJCD-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3scnc3Cl)C[C@H]2CC1 ZINC001279420563 1047800366 /nfs/dbraw/zinc/80/03/66/1047800366.db2.gz ZFMUDAOVGXKZSJ-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3scnc3Cl)C[C@H]2CC1 ZINC001279420563 1047800375 /nfs/dbraw/zinc/80/03/75/1047800375.db2.gz ZFMUDAOVGXKZSJ-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3scnc3Cl)C[C@H]2CC1 ZINC001279420563 1047800383 /nfs/dbraw/zinc/80/03/83/1047800383.db2.gz ZFMUDAOVGXKZSJ-OKILXGFUSA-N 2 1 382.986 3.905 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1F ZINC001279447048 1047811607 /nfs/dbraw/zinc/81/16/07/1047811607.db2.gz HASFUBCPCGRRHU-UHFFFAOYSA-N 2 1 376.907 3.999 20 0 GHADMP CSc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279494319 1047823691 /nfs/dbraw/zinc/82/36/91/1047823691.db2.gz GFSDEXFLSOUINW-FQEVSTJZSA-N 2 1 382.017 3.911 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001279580215 1047849530 /nfs/dbraw/zinc/84/95/30/1047849530.db2.gz TYDRWBXADPGJPD-KXEVLKFVSA-N 2 1 378.944 3.649 20 0 GHADMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001279580215 1047849552 /nfs/dbraw/zinc/84/95/52/1047849552.db2.gz TYDRWBXADPGJPD-KXEVLKFVSA-N 2 1 378.944 3.649 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001279632420 1047879419 /nfs/dbraw/zinc/87/94/19/1047879419.db2.gz VBQZCQGDIFLCTE-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001279632420 1047879430 /nfs/dbraw/zinc/87/94/30/1047879430.db2.gz VBQZCQGDIFLCTE-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP Cc1csc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1Cl ZINC001279657477 1047899510 /nfs/dbraw/zinc/89/95/10/1047899510.db2.gz GSOPSYQAHLMEHY-UHFFFAOYSA-N 2 1 378.973 3.895 20 0 GHADMP Cc1ccc(Br)c(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c1 ZINC001279664198 1047903894 /nfs/dbraw/zinc/90/38/94/1047903894.db2.gz WLZATCPJYTVZRJ-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ccsc3I)CC2)C1 ZINC001279705724 1047924974 /nfs/dbraw/zinc/92/49/74/1047924974.db2.gz FMFBWZHTILVYPW-UHFFFAOYSA-N 2 1 390.334 3.661 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccsc3I)CC2)C1 ZINC001279705724 1047924978 /nfs/dbraw/zinc/92/49/78/1047924978.db2.gz FMFBWZHTILVYPW-UHFFFAOYSA-N 2 1 390.334 3.661 20 0 GHADMP Clc1cnc(Cl)c(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279707677 1047925807 /nfs/dbraw/zinc/92/58/07/1047925807.db2.gz CJCBFTHCPHMCAE-UHFFFAOYSA-N 2 1 394.350 3.573 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cs1 ZINC001279711534 1047930200 /nfs/dbraw/zinc/93/02/00/1047930200.db2.gz OCNKRKGRFBFTCW-UHFFFAOYSA-N 2 1 384.471 3.561 20 0 GHADMP CCOC(=O)CCCC[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280156187 1048108619 /nfs/dbraw/zinc/10/86/19/1048108619.db2.gz GWANWRUAODVISP-CALCHBBNSA-N 2 1 378.479 3.706 20 0 GHADMP CCOC(=O)CCCC[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280156187 1048108627 /nfs/dbraw/zinc/10/86/27/1048108627.db2.gz GWANWRUAODVISP-CALCHBBNSA-N 2 1 378.479 3.706 20 0 GHADMP CCOC(=O)CCCC[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280156187 1048108643 /nfs/dbraw/zinc/10/86/43/1048108643.db2.gz GWANWRUAODVISP-CALCHBBNSA-N 2 1 378.479 3.706 20 0 GHADMP CCOC(=O)CCCC[N@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280157304 1048110217 /nfs/dbraw/zinc/11/02/17/1048110217.db2.gz XMXQCDFVVZGZPZ-GOSISDBHSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCCC[NH+]1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280157304 1048110221 /nfs/dbraw/zinc/11/02/21/1048110221.db2.gz XMXQCDFVVZGZPZ-GOSISDBHSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCCC[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280157304 1048110229 /nfs/dbraw/zinc/11/02/29/1048110229.db2.gz XMXQCDFVVZGZPZ-GOSISDBHSA-N 2 1 378.479 3.850 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](CC3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC001306422135 1048652436 /nfs/dbraw/zinc/65/24/36/1048652436.db2.gz MNDMFMXPVMNMFD-GOTSBHOMSA-N 2 1 383.580 3.794 20 0 GHADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC001306422135 1048652442 /nfs/dbraw/zinc/65/24/42/1048652442.db2.gz MNDMFMXPVMNMFD-GOTSBHOMSA-N 2 1 383.580 3.794 20 0 GHADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC001306422135 1048652446 /nfs/dbraw/zinc/65/24/46/1048652446.db2.gz MNDMFMXPVMNMFD-GOTSBHOMSA-N 2 1 383.580 3.794 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C4(CCC4)C3)CC2)cc1 ZINC001307613994 1049451464 /nfs/dbraw/zinc/45/14/64/1049451464.db2.gz UXKHXMYKZMIIAU-NRFANRHFSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C4(CCC4)C3)CC2)cc1 ZINC001307613994 1049451471 /nfs/dbraw/zinc/45/14/71/1049451471.db2.gz UXKHXMYKZMIIAU-NRFANRHFSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C4(CCC4)C3)CC2)cc1 ZINC001307613994 1049451476 /nfs/dbraw/zinc/45/14/76/1049451476.db2.gz UXKHXMYKZMIIAU-NRFANRHFSA-N 2 1 383.580 3.541 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCCC[C@@H]1C ZINC001307683758 1049504056 /nfs/dbraw/zinc/50/40/56/1049504056.db2.gz KANZFQHUTJDKAS-UGKGYDQZSA-N 2 1 386.584 3.668 20 0 GHADMP O=C(C[N@H+](CC1CC1)C1CCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307722302 1049535411 /nfs/dbraw/zinc/53/54/11/1049535411.db2.gz WEHBGHMIZBVXGN-OAQYLSRUSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@@H+](CC1CC1)C1CCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307722302 1049535422 /nfs/dbraw/zinc/53/54/22/1049535422.db2.gz WEHBGHMIZBVXGN-OAQYLSRUSA-N 2 1 389.971 3.858 20 0 GHADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001307729903 1049542048 /nfs/dbraw/zinc/54/20/48/1049542048.db2.gz JTLVMYJHWYMNDC-PMOQBDJRSA-N 2 1 379.548 3.592 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)CC(C)C ZINC001308195998 1049908341 /nfs/dbraw/zinc/90/83/41/1049908341.db2.gz HHQUHEQNSTYBLL-SFTDATJTSA-N 2 1 387.568 3.934 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)CC(C)C ZINC001308195998 1049908342 /nfs/dbraw/zinc/90/83/42/1049908342.db2.gz HHQUHEQNSTYBLL-SFTDATJTSA-N 2 1 387.568 3.934 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4c(c3)ncn4C)CC2)cs1 ZINC001308266886 1049931183 /nfs/dbraw/zinc/93/11/83/1049931183.db2.gz HNPKLYOFQCUBIF-UHFFFAOYSA-N 2 1 383.565 3.594 20 0 GHADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1Br ZINC001308365049 1049959608 /nfs/dbraw/zinc/95/96/08/1049959608.db2.gz BYJXEMBQVUVLNX-LJQANCHMSA-N 2 1 389.337 3.614 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CCCO1 ZINC001308368891 1049960007 /nfs/dbraw/zinc/96/00/07/1049960007.db2.gz DPQCDABAMJCOHA-ZDUSSCGKSA-N 2 1 398.320 3.660 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(Br)c1O ZINC001308367967 1049960042 /nfs/dbraw/zinc/96/00/42/1049960042.db2.gz KLWKGSCCGDBZBC-DZGCQCFKSA-N 2 1 397.357 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CCCCC[C@H](NC3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC001308896063 1050145509 /nfs/dbraw/zinc/14/55/09/1050145509.db2.gz IKEDZPCAOYUAEW-ZEQRLZLVSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308941785 1050203115 /nfs/dbraw/zinc/20/31/15/1050203115.db2.gz AZYQZOZZTHKJPL-KNQAVFIVSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001327888295 1050315289 /nfs/dbraw/zinc/31/52/89/1050315289.db2.gz UFJKPINJYZDCOG-ZKLZITESSA-N 2 1 383.580 3.950 20 0 GHADMP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001327888295 1050315309 /nfs/dbraw/zinc/31/53/09/1050315309.db2.gz UFJKPINJYZDCOG-ZKLZITESSA-N 2 1 383.580 3.950 20 0 GHADMP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001327888295 1050315319 /nfs/dbraw/zinc/31/53/19/1050315319.db2.gz UFJKPINJYZDCOG-ZKLZITESSA-N 2 1 383.580 3.950 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001328690509 1050593692 /nfs/dbraw/zinc/59/36/92/1050593692.db2.gz DTCBRERVCIWTLB-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)ccn1 ZINC001329440211 1050806703 /nfs/dbraw/zinc/80/67/03/1050806703.db2.gz DBJUIOPKEUBZNZ-QHCPKHFHSA-N 2 1 394.563 3.787 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)ccn1 ZINC001329440211 1050806706 /nfs/dbraw/zinc/80/67/06/1050806706.db2.gz DBJUIOPKEUBZNZ-QHCPKHFHSA-N 2 1 394.563 3.787 20 0 GHADMP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Br ZINC001330583671 1051033765 /nfs/dbraw/zinc/03/37/65/1051033765.db2.gz CUODYDPKPMAXFX-GOSISDBHSA-N 2 1 388.309 3.683 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001331287907 1051237600 /nfs/dbraw/zinc/23/76/00/1051237600.db2.gz NUOHAWSEAMERGS-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1cc([C@@H]([NH3+])CC(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc(Cl)n1 ZINC001331435357 1051277666 /nfs/dbraw/zinc/27/76/66/1051277666.db2.gz RYEUDXIPINANTJ-INIZCTEOSA-N 2 1 381.307 3.787 20 0 GHADMP CCN(C(=O)c1ccc2c(c1)C[NH2+]CC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001332152840 1051468059 /nfs/dbraw/zinc/46/80/59/1051468059.db2.gz XINZVHGNEYMBGI-JPYJTQIMSA-N 2 1 377.532 3.630 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001332431876 1051519523 /nfs/dbraw/zinc/51/95/23/1051519523.db2.gz NBFIMVBKIWDGCK-QZTJIDSGSA-N 2 1 384.351 3.592 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC001310961522 1051735652 /nfs/dbraw/zinc/73/56/52/1051735652.db2.gz GLAHMNRDSDOXKP-QZTJIDSGSA-N 2 1 390.597 3.821 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001311406691 1052112061 /nfs/dbraw/zinc/11/20/61/1052112061.db2.gz WIDGKFGDCVYHGG-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C)C(C)C ZINC001311421131 1052125947 /nfs/dbraw/zinc/12/59/47/1052125947.db2.gz SDGUAYGQMXHBKS-PWRODBHTSA-N 2 1 388.600 3.798 20 0 GHADMP C[C@H](CNC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC001311639524 1052294089 /nfs/dbraw/zinc/29/40/89/1052294089.db2.gz GKNWZVAXJBJDBY-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001311889851 1052461043 /nfs/dbraw/zinc/46/10/43/1052461043.db2.gz KWNAMQCFYWJDPK-NRFANRHFSA-N 2 1 380.621 3.698 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC001312557381 1052790031 /nfs/dbraw/zinc/79/00/31/1052790031.db2.gz APPHPIRNGROFQA-XZOQPEGZSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC001312557381 1052790034 /nfs/dbraw/zinc/79/00/34/1052790034.db2.gz APPHPIRNGROFQA-XZOQPEGZSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC001312557381 1052790038 /nfs/dbraw/zinc/79/00/38/1052790038.db2.gz APPHPIRNGROFQA-XZOQPEGZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001313305002 1053013770 /nfs/dbraw/zinc/01/37/70/1053013770.db2.gz GQTJDOYRWDKKHZ-CKQIISDPSA-N 2 1 398.595 3.872 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001343420622 1053762138 /nfs/dbraw/zinc/76/21/38/1053762138.db2.gz KBCJUZTWCRCBCA-FCEUIQTBSA-N 2 1 383.580 3.716 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001318358865 1054585884 /nfs/dbraw/zinc/58/58/84/1054585884.db2.gz AOFALATXBCMUDU-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001318358865 1054585892 /nfs/dbraw/zinc/58/58/92/1054585892.db2.gz AOFALATXBCMUDU-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)CC2)cc1 ZINC001319077653 1055024127 /nfs/dbraw/zinc/02/41/27/1055024127.db2.gz UQSCUDDZYJSIAK-JOCHJYFZSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC001319077653 1055024142 /nfs/dbraw/zinc/02/41/42/1055024142.db2.gz UQSCUDDZYJSIAK-JOCHJYFZSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC001319077653 1055024155 /nfs/dbraw/zinc/02/41/55/1055024155.db2.gz UQSCUDDZYJSIAK-JOCHJYFZSA-N 2 1 383.580 3.684 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001319175080 1055079902 /nfs/dbraw/zinc/07/99/02/1055079902.db2.gz DSAWRNPHEHMSJZ-FGZHOGPDSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001319175080 1055079916 /nfs/dbraw/zinc/07/99/16/1055079916.db2.gz DSAWRNPHEHMSJZ-FGZHOGPDSA-N 2 1 398.551 3.584 20 0 GHADMP Cc1cc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc(C)[nH+]1 ZINC001319820375 1055489921 /nfs/dbraw/zinc/48/99/21/1055489921.db2.gz CISVOKLZBNFISU-UHFFFAOYSA-N 2 1 378.520 3.640 20 0 GHADMP Cc1cc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc(C)[nH+]1 ZINC001319820375 1055489928 /nfs/dbraw/zinc/48/99/28/1055489928.db2.gz CISVOKLZBNFISU-UHFFFAOYSA-N 2 1 378.520 3.640 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001319888976 1055524079 /nfs/dbraw/zinc/52/40/79/1055524079.db2.gz JDNJMTRUSARBAG-RDJZCZTQSA-N 2 1 398.954 3.598 20 0 GHADMP Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc2c[nH+]cn21 ZINC001319984460 1055579359 /nfs/dbraw/zinc/57/93/59/1055579359.db2.gz HAUROMBNLSWRJJ-QGZVFWFLSA-N 2 1 376.504 3.805 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCN(C)CC3)c1)CCS2 ZINC001320744023 1055947009 /nfs/dbraw/zinc/94/70/09/1055947009.db2.gz TYFSRQCRKPNYOU-JOCHJYFZSA-N 2 1 397.588 3.769 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1CC[C@@H](c2ccccc2)C1=O ZINC001323531461 1056981760 /nfs/dbraw/zinc/98/17/60/1056981760.db2.gz YHIMCVNYKCWVDO-QHCPKHFHSA-N 2 1 392.547 3.594 20 0 GHADMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000849055183 1057566031 /nfs/dbraw/zinc/56/60/31/1057566031.db2.gz KQBZKPNHXJMCPL-IBGZPJMESA-N 2 1 399.608 3.798 20 0 GHADMP COc1ccc([C@@H](CNC(=[NH2+])NCCc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000849055272 1057566387 /nfs/dbraw/zinc/56/63/87/1057566387.db2.gz MJYVHJWAGPCSSX-JOCHJYFZSA-N 2 1 380.536 3.579 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000849059459 1057570901 /nfs/dbraw/zinc/57/09/01/1057570901.db2.gz VHHBQLVHYYVIGW-SFHVURJKSA-N 2 1 380.536 3.741 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000849062523 1057573099 /nfs/dbraw/zinc/57/30/99/1057573099.db2.gz XRCANSDETFUCNO-KDURUIRLSA-N 2 1 394.563 3.987 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000849084935 1057587056 /nfs/dbraw/zinc/58/70/56/1057587056.db2.gz CWJFWRQUJBXROG-HXUWFJFHSA-N 2 1 380.536 3.611 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCc2ccccc2F)cc1 ZINC000849087798 1057588486 /nfs/dbraw/zinc/58/84/86/1057588486.db2.gz OKALVKAJBSLDLF-LJQANCHMSA-N 2 1 384.499 3.503 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC001338418378 1058558566 /nfs/dbraw/zinc/55/85/66/1058558566.db2.gz NAVWSEYQWTYRNY-GOSISDBHSA-N 2 1 389.421 3.893 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccsc1 ZINC001441003968 1058672048 /nfs/dbraw/zinc/67/20/48/1058672048.db2.gz HPYCFAQYQSZLPR-RTWAWAEBSA-N 2 1 397.588 3.769 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC001442926576 1059030057 /nfs/dbraw/zinc/03/00/57/1059030057.db2.gz VMLXHZBFKMJSOW-KRWDZBQOSA-N 2 1 385.474 3.502 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001443577740 1059152444 /nfs/dbraw/zinc/15/24/44/1059152444.db2.gz GVCOWZAKMYJZNC-HXUWFJFHSA-N 2 1 377.960 3.541 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001446192029 1059724215 /nfs/dbraw/zinc/72/42/15/1059724215.db2.gz FMXPALIECLOXIO-XZOQPEGZSA-N 2 1 395.522 3.987 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001446192029 1059724231 /nfs/dbraw/zinc/72/42/31/1059724231.db2.gz FMXPALIECLOXIO-XZOQPEGZSA-N 2 1 395.522 3.987 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001446258196 1059736989 /nfs/dbraw/zinc/73/69/89/1059736989.db2.gz MXIWOMNJKRANJD-RBBKRZOGSA-N 2 1 385.596 3.771 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001446719790 1059839704 /nfs/dbraw/zinc/83/97/04/1059839704.db2.gz ZAHIKZIJQLPEBM-LHGONGGSSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001447624610 1059990018 /nfs/dbraw/zinc/99/00/18/1059990018.db2.gz XGZRSQFYFLIGDB-IRLDBZIGSA-N 2 1 383.580 3.669 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC001453319701 1061108182 /nfs/dbraw/zinc/10/81/82/1061108182.db2.gz HXPHSGVBAVKLRV-YPAWHYETSA-N 2 1 385.596 3.770 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001453319701 1061108192 /nfs/dbraw/zinc/10/81/92/1061108192.db2.gz HXPHSGVBAVKLRV-YPAWHYETSA-N 2 1 385.596 3.770 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001453319701 1061108200 /nfs/dbraw/zinc/10/82/00/1061108200.db2.gz HXPHSGVBAVKLRV-YPAWHYETSA-N 2 1 385.596 3.770 20 0 GHADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1 ZINC001346461069 1061577984 /nfs/dbraw/zinc/57/79/84/1061577984.db2.gz DJFRJFOWECMCFP-NRFANRHFSA-N 2 1 375.532 3.589 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001435321315 1062508541 /nfs/dbraw/zinc/50/85/41/1062508541.db2.gz ALSIJWORPQJRKM-NAVOZUGXSA-N 2 1 397.607 3.914 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC001457555830 1063244584 /nfs/dbraw/zinc/24/45/84/1063244584.db2.gz MLOWIEZBXWVJJD-ACRUOGEOSA-N 2 1 385.577 3.940 20 0 GHADMP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460001578 1064335729 /nfs/dbraw/zinc/33/57/29/1064335729.db2.gz XWVVUSGYEMEUMV-AHRSYUTCSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460001578 1064335743 /nfs/dbraw/zinc/33/57/43/1064335743.db2.gz XWVVUSGYEMEUMV-AHRSYUTCSA-N 2 1 377.960 3.714 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001463771243 1064602691 /nfs/dbraw/zinc/60/26/91/1064602691.db2.gz KFUNLQQLLUOYOJ-DEOSSOPVSA-N 2 1 391.559 3.811 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCC[C@@H](C)C4)cc3)C[N@H+]2C1 ZINC001464155240 1064870001 /nfs/dbraw/zinc/87/00/01/1064870001.db2.gz SJEKQHZGYGTELR-VNHKHXMHSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)C[NH+]2C1 ZINC001464155240 1064870011 /nfs/dbraw/zinc/87/00/11/1064870011.db2.gz SJEKQHZGYGTELR-VNHKHXMHSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)C[NH+]2C1 ZINC001464155240 1064870026 /nfs/dbraw/zinc/87/00/26/1064870026.db2.gz SJEKQHZGYGTELR-VNHKHXMHSA-N 2 1 383.580 3.655 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001464544659 1065072625 /nfs/dbraw/zinc/07/26/25/1065072625.db2.gz KCHYHKNNJIXIDO-QHCPKHFHSA-N 2 1 383.580 3.766 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001200069979 1065122717 /nfs/dbraw/zinc/12/27/17/1065122717.db2.gz LWPQPXJLLQGQOY-QFIPXVFZSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001200069979 1065122726 /nfs/dbraw/zinc/12/27/26/1065122726.db2.gz LWPQPXJLLQGQOY-QFIPXVFZSA-N 2 1 396.535 3.715 20 0 GHADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001465004821 1065321022 /nfs/dbraw/zinc/32/10/22/1065321022.db2.gz YURHWLOBLHINLZ-AUSIDOKSSA-N 2 1 395.547 3.593 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001465158061 1065425734 /nfs/dbraw/zinc/42/57/34/1065425734.db2.gz XZWLTXRRJWWOTK-QFIPXVFZSA-N 2 1 389.559 3.953 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001465158061 1065425781 /nfs/dbraw/zinc/42/57/81/1065425781.db2.gz XZWLTXRRJWWOTK-QFIPXVFZSA-N 2 1 389.559 3.953 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001465461182 1065634928 /nfs/dbraw/zinc/63/49/28/1065634928.db2.gz WNQQZCOWVPKEMZ-GGAORHGYSA-N 2 1 383.580 3.937 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001465515739 1065682487 /nfs/dbraw/zinc/68/24/87/1065682487.db2.gz RMZXRIMLYUOETH-PGRDOPGGSA-N 2 1 390.531 3.931 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001465916575 1065921061 /nfs/dbraw/zinc/92/10/61/1065921061.db2.gz YMJIUQSOGJWGEL-DYESRHJHSA-N 2 1 376.504 3.684 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H](C)C[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001477596542 1078483345 /nfs/dbraw/zinc/48/33/45/1078483345.db2.gz WIZSHWNCMBNNOU-GEOZSUPMSA-N 2 1 392.632 3.649 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001477657463 1078512317 /nfs/dbraw/zinc/51/23/17/1078512317.db2.gz WVTMRRWQMNRSCB-PXNSSMCTSA-N 2 1 394.991 3.724 20 0 GHADMP CCCC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CCC1 ZINC001473366280 1067491262 /nfs/dbraw/zinc/49/12/62/1067491262.db2.gz BZRIBUHEZXLWDZ-HSZRJFAPSA-N 2 1 385.596 3.978 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001467860879 1067503637 /nfs/dbraw/zinc/50/36/37/1067503637.db2.gz JCFNWWPUWNFECX-IBGZPJMESA-N 2 1 398.595 3.877 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC001467870183 1067508343 /nfs/dbraw/zinc/50/83/43/1067508343.db2.gz PCMYHONIQAYVMI-VQTJNVASSA-N 2 1 388.600 3.838 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001467870183 1067508351 /nfs/dbraw/zinc/50/83/51/1067508351.db2.gz PCMYHONIQAYVMI-VQTJNVASSA-N 2 1 388.600 3.838 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001467870183 1067508362 /nfs/dbraw/zinc/50/83/62/1067508362.db2.gz PCMYHONIQAYVMI-VQTJNVASSA-N 2 1 388.600 3.838 20 0 GHADMP C[N@@H+](CCCNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC001467987550 1067556419 /nfs/dbraw/zinc/55/64/19/1067556419.db2.gz XPBWNHUWBDGHJI-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001468115428 1067600279 /nfs/dbraw/zinc/60/02/79/1067600279.db2.gz VVEDDPCGLOFFRX-RBBKRZOGSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001468115428 1067600283 /nfs/dbraw/zinc/60/02/83/1067600283.db2.gz VVEDDPCGLOFFRX-RBBKRZOGSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001468115428 1067600293 /nfs/dbraw/zinc/60/02/93/1067600293.db2.gz VVEDDPCGLOFFRX-RBBKRZOGSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001468265856 1067659034 /nfs/dbraw/zinc/65/90/34/1067659034.db2.gz HIEGPIOYACBQFV-RCLSDMTESA-N 2 1 388.600 3.734 20 0 GHADMP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000849103757 1067729171 /nfs/dbraw/zinc/72/91/71/1067729171.db2.gz ADUWEQWDLIMNDW-GOSISDBHSA-N 2 1 382.508 3.916 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c(Cl)nc21 ZINC000849350069 1067816077 /nfs/dbraw/zinc/81/60/77/1067816077.db2.gz JNKPCCCSLVTMGM-INIZCTEOSA-N 2 1 375.948 3.877 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057402 1078694975 /nfs/dbraw/zinc/69/49/75/1078694975.db2.gz KOFPYZSOUVSRJM-WOJBJXKFSA-N 2 1 392.975 3.506 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC001470135166 1068589779 /nfs/dbraw/zinc/58/97/79/1068589779.db2.gz WXMSRKSWMOPPLD-IRFCIJBXSA-N 2 1 398.551 3.625 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[N@H+](CC)C[C@H]2CC)[NH+](CC)CC)cc1 ZINC001470357159 1068698186 /nfs/dbraw/zinc/69/81/86/1068698186.db2.gz SOABQPWYUMXPIS-YADHBBJMSA-N 2 1 388.600 3.758 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001460084349 1068771327 /nfs/dbraw/zinc/77/13/27/1068771327.db2.gz NHVCUSXMTPTGPG-DEOSSOPVSA-N 2 1 393.575 3.866 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001460084349 1068771335 /nfs/dbraw/zinc/77/13/35/1068771335.db2.gz NHVCUSXMTPTGPG-DEOSSOPVSA-N 2 1 393.575 3.866 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1F ZINC001460089255 1068775976 /nfs/dbraw/zinc/77/59/76/1068775976.db2.gz HKEUQIROAGIYQW-DFNIBXOVSA-N 2 1 390.547 3.556 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1F ZINC001460089255 1068775986 /nfs/dbraw/zinc/77/59/86/1068775986.db2.gz HKEUQIROAGIYQW-DFNIBXOVSA-N 2 1 390.547 3.556 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC001460089255 1068775995 /nfs/dbraw/zinc/77/59/95/1068775995.db2.gz HKEUQIROAGIYQW-DFNIBXOVSA-N 2 1 390.547 3.556 20 0 GHADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549464 1068992991 /nfs/dbraw/zinc/99/29/91/1068992991.db2.gz WBWHRYIYKQXFIO-UGKGYDQZSA-N 2 1 385.596 3.864 20 0 GHADMP CN(CCSc1ccc(F)cc1F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460562616 1068996970 /nfs/dbraw/zinc/99/69/70/1068996970.db2.gz ZVMGCKJUBXPSMS-NRFANRHFSA-N 2 1 392.515 3.626 20 0 GHADMP CSc1ccc([C@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC001478700888 1078960155 /nfs/dbraw/zinc/96/01/55/1078960155.db2.gz KKRFDPUCGYEUCU-PXNSSMCTSA-N 2 1 392.613 3.575 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)C1 ZINC001471045110 1072901762 /nfs/dbraw/zinc/90/17/62/1072901762.db2.gz HVUDZLNDNXTBNG-VXKWHMMOSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001471045110 1072901764 /nfs/dbraw/zinc/90/17/64/1072901764.db2.gz HVUDZLNDNXTBNG-VXKWHMMOSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001471045110 1072901768 /nfs/dbraw/zinc/90/17/68/1072901768.db2.gz HVUDZLNDNXTBNG-VXKWHMMOSA-N 2 1 386.584 3.555 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001471062660 1072910187 /nfs/dbraw/zinc/91/01/87/1072910187.db2.gz CRFQOQLMPFVKRK-XZOQPEGZSA-N 2 1 379.548 3.850 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001471062660 1072910190 /nfs/dbraw/zinc/91/01/90/1072910190.db2.gz CRFQOQLMPFVKRK-XZOQPEGZSA-N 2 1 379.548 3.850 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001478891264 1079016760 /nfs/dbraw/zinc/01/67/60/1079016760.db2.gz KWSOEZSKUHOAJR-QGAVKGNSSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001478891264 1079016764 /nfs/dbraw/zinc/01/67/64/1079016764.db2.gz KWSOEZSKUHOAJR-QGAVKGNSSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001478891264 1079016772 /nfs/dbraw/zinc/01/67/72/1079016772.db2.gz KWSOEZSKUHOAJR-QGAVKGNSSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)c1cccc(C(F)(F)F)c1 ZINC001471857707 1073234041 /nfs/dbraw/zinc/23/40/41/1073234041.db2.gz YLSFTHVQUODNSN-OTWHNJEPSA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1cccc(C(F)(F)F)c1 ZINC001471857707 1073234045 /nfs/dbraw/zinc/23/40/45/1073234045.db2.gz YLSFTHVQUODNSN-OTWHNJEPSA-N 2 1 397.485 3.783 20 0 GHADMP Cc1noc([C@@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1 ZINC001473117376 1073788045 /nfs/dbraw/zinc/78/80/45/1073788045.db2.gz INPAJDFXRYIMLC-JOCHJYFZSA-N 2 1 382.552 3.902 20 0 GHADMP Cc1noc([C@@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1 ZINC001473117376 1073788051 /nfs/dbraw/zinc/78/80/51/1073788051.db2.gz INPAJDFXRYIMLC-JOCHJYFZSA-N 2 1 382.552 3.902 20 0 GHADMP CCOc1cccc(N2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC001473153762 1073812719 /nfs/dbraw/zinc/81/27/19/1073812719.db2.gz KNQKXWNWHFAXNT-UHFFFAOYSA-N 2 1 394.563 3.788 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203438 1073854857 /nfs/dbraw/zinc/85/48/57/1073854857.db2.gz DUQFMCVCUYJGPX-FQEVSTJZSA-N 2 1 393.019 3.516 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203438 1073854865 /nfs/dbraw/zinc/85/48/65/1073854865.db2.gz DUQFMCVCUYJGPX-FQEVSTJZSA-N 2 1 393.019 3.516 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203438 1073854875 /nfs/dbraw/zinc/85/48/75/1073854875.db2.gz DUQFMCVCUYJGPX-FQEVSTJZSA-N 2 1 393.019 3.516 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203438 1073854884 /nfs/dbraw/zinc/85/48/84/1073854884.db2.gz DUQFMCVCUYJGPX-FQEVSTJZSA-N 2 1 393.019 3.516 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203438 1073854891 /nfs/dbraw/zinc/85/48/91/1073854891.db2.gz DUQFMCVCUYJGPX-FQEVSTJZSA-N 2 1 393.019 3.516 20 0 GHADMP CC[C@@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001473331024 1073923446 /nfs/dbraw/zinc/92/34/46/1073923446.db2.gz FBCJHPRQWJMCIN-RUZDIDTESA-N 2 1 393.575 3.944 20 0 GHADMP COCC[N@H+](Cc1cccc(Br)c1Cl)CC1CC[NH+](C)CC1 ZINC001473702550 1074097232 /nfs/dbraw/zinc/09/72/32/1074097232.db2.gz JDARMTUSYIYHSA-UHFFFAOYSA-N 2 1 389.765 3.893 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001479516743 1079222261 /nfs/dbraw/zinc/22/22/61/1079222261.db2.gz YTKBENMLLREJSG-IIZPIQPGSA-N 2 1 388.600 3.656 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3scnc3c2)[C@H](c2ccccc2)C1 ZINC001473927727 1074207396 /nfs/dbraw/zinc/20/73/96/1074207396.db2.gz YRMOCPKJEVFHCF-NRFANRHFSA-N 2 1 380.561 3.765 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(Br)c1 ZINC001473963530 1074220084 /nfs/dbraw/zinc/22/00/84/1074220084.db2.gz DVGCWEKVGYZESJ-UHFFFAOYSA-N 2 1 377.326 3.988 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019049 1074237343 /nfs/dbraw/zinc/23/73/43/1074237343.db2.gz LOXXCIFXOVDOSN-UWJYYQICSA-N 2 1 381.549 3.716 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019049 1074237347 /nfs/dbraw/zinc/23/73/47/1074237347.db2.gz LOXXCIFXOVDOSN-UWJYYQICSA-N 2 1 381.549 3.716 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(Br)c2C)C1 ZINC001474349376 1074356768 /nfs/dbraw/zinc/35/67/68/1074356768.db2.gz QUUKEIRTHAEXEF-GOSISDBHSA-N 2 1 383.374 3.999 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001474387092 1074379502 /nfs/dbraw/zinc/37/95/02/1074379502.db2.gz PNGCABRLDLEIFU-OAADDMNDSA-N 2 1 399.579 3.932 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641797 1074495601 /nfs/dbraw/zinc/49/56/01/1074495601.db2.gz HPMBMACFJGAJEU-HSZRJFAPSA-N 2 1 394.563 3.933 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641797 1074495605 /nfs/dbraw/zinc/49/56/05/1074495605.db2.gz HPMBMACFJGAJEU-HSZRJFAPSA-N 2 1 394.563 3.933 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641797 1074495609 /nfs/dbraw/zinc/49/56/09/1074495609.db2.gz HPMBMACFJGAJEU-HSZRJFAPSA-N 2 1 394.563 3.933 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3ccc4c(n3)CCC4)cc2)C[C@H](C)O1 ZINC001474680301 1074510770 /nfs/dbraw/zinc/51/07/70/1074510770.db2.gz VNLOXJQMLJYMIT-KDURUIRLSA-N 2 1 379.548 3.812 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3ccc4c(n3)CCC4)cc2)C[C@H](C)O1 ZINC001474680301 1074510777 /nfs/dbraw/zinc/51/07/77/1074510777.db2.gz VNLOXJQMLJYMIT-KDURUIRLSA-N 2 1 379.548 3.812 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3ccc4c(n3)CCC4)cc2)C[C@H](C)O1 ZINC001474680301 1074510787 /nfs/dbraw/zinc/51/07/87/1074510787.db2.gz VNLOXJQMLJYMIT-KDURUIRLSA-N 2 1 379.548 3.812 20 0 GHADMP COc1cccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001474745845 1074543663 /nfs/dbraw/zinc/54/36/63/1074543663.db2.gz WFBPFADIILWHCK-DEXHYYOUSA-N 2 1 379.548 3.912 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821255291 606083558 /nfs/dbraw/zinc/08/35/58/606083558.db2.gz XNXYKZJRIZALIV-JTSKRJEESA-N 2 1 390.535 3.696 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821255291 606083562 /nfs/dbraw/zinc/08/35/62/606083562.db2.gz XNXYKZJRIZALIV-JTSKRJEESA-N 2 1 390.535 3.696 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821255291 606083565 /nfs/dbraw/zinc/08/35/65/606083565.db2.gz XNXYKZJRIZALIV-JTSKRJEESA-N 2 1 390.535 3.696 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671184 719499396 /nfs/dbraw/zinc/49/93/96/719499396.db2.gz CORYOEOPAGZXSX-UHFFFAOYSA-N 2 1 394.494 3.584 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671184 719499401 /nfs/dbraw/zinc/49/94/01/719499401.db2.gz CORYOEOPAGZXSX-UHFFFAOYSA-N 2 1 394.494 3.584 20 0 GHADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1 ZINC001164785561 721435256 /nfs/dbraw/zinc/43/52/56/721435256.db2.gz NREVVZFSHXFMSR-SLFFLAALSA-N 2 1 397.592 3.653 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1 ZINC001164785561 721435257 /nfs/dbraw/zinc/43/52/57/721435257.db2.gz NREVVZFSHXFMSR-SLFFLAALSA-N 2 1 397.592 3.653 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2ncccc2C[NH+]2CCCC2)CC3)c1 ZINC001164959834 722024471 /nfs/dbraw/zinc/02/44/71/722024471.db2.gz IVIOSLJPMODAPU-UHFFFAOYSA-N 2 1 391.563 3.565 20 0 GHADMP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCCCC1 ZINC000237895589 837422645 /nfs/dbraw/zinc/42/26/45/837422645.db2.gz FKROKZQLHRLHLM-LJQANCHMSA-N 2 1 383.561 3.625 20 0 GHADMP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCCCC1 ZINC000237895589 837422652 /nfs/dbraw/zinc/42/26/52/837422652.db2.gz FKROKZQLHRLHLM-LJQANCHMSA-N 2 1 383.561 3.625 20 0 GHADMP COc1cc2c(cc1C[NH2+]C1CCN(CCc3ccccc3)CC1)O[C@H](C)C2 ZINC000030909955 837691937 /nfs/dbraw/zinc/69/19/37/837691937.db2.gz QUGVOWRRIRZBHF-GOSISDBHSA-N 2 1 380.532 3.815 20 0 GHADMP c1ccc2[nH]c(-c3ccc(C[NH2+]C4CC[NH+](C[C@H]5CCCO5)CC4)cc3)nc2c1 ZINC000655715139 837720706 /nfs/dbraw/zinc/72/07/06/837720706.db2.gz HYHCQWKHZATWTC-OAQYLSRUSA-N 2 1 390.531 3.963 20 0 GHADMP Cc1cc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC000583483570 834470120 /nfs/dbraw/zinc/47/01/20/834470120.db2.gz KEMDMIBMSRTGOI-UHFFFAOYSA-N 2 1 377.492 3.771 20 0 GHADMP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000583527168 834568722 /nfs/dbraw/zinc/56/87/22/834568722.db2.gz QAJWYLIHZQYYFD-UHFFFAOYSA-N 2 1 382.548 3.913 20 0 GHADMP C[NH+](C)CCCCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000584426562 834582553 /nfs/dbraw/zinc/58/25/53/834582553.db2.gz FWUFYKKMXMFQTH-UHFFFAOYSA-N 2 1 385.474 3.518 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772408 834677372 /nfs/dbraw/zinc/67/73/72/834677372.db2.gz MVOAUIGFECUSTK-QFIPXVFZSA-N 2 1 391.559 3.780 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000650723471 834702594 /nfs/dbraw/zinc/70/25/94/834702594.db2.gz OPAPYXFCMFCQEC-YMPZKCBVSA-N 2 1 381.520 3.521 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000650723561 834703437 /nfs/dbraw/zinc/70/34/37/834703437.db2.gz QGRHRQWHYCXGCU-UEVCKROQSA-N 2 1 381.520 3.521 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cncc(F)c1 ZINC000583613077 834757300 /nfs/dbraw/zinc/75/73/00/834757300.db2.gz UGTAZYDGSDNHFK-NQIIRXRSSA-N 2 1 383.511 3.800 20 0 GHADMP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657871524 834777777 /nfs/dbraw/zinc/77/77/77/834777777.db2.gz JMZHHWNXNUNRPZ-FQEVSTJZSA-N 2 1 396.417 3.633 20 0 GHADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000511265448 834908113 /nfs/dbraw/zinc/90/81/13/834908113.db2.gz LDJUVPYCYWLJDH-IBGZPJMESA-N 2 1 384.568 3.512 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(SC)c3C)CC2)CC1 ZINC000654983433 834910031 /nfs/dbraw/zinc/91/00/31/834910031.db2.gz MENAKZLEMRXLGW-UHFFFAOYSA-N 2 1 375.582 3.852 20 0 GHADMP COc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000431571489 834939157 /nfs/dbraw/zinc/93/91/57/834939157.db2.gz RJCGXAVDXWMXOR-UNMCSNQZSA-N 2 1 387.568 3.603 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3O)CC2)CC1 ZINC000655056261 835046186 /nfs/dbraw/zinc/04/61/86/835046186.db2.gz FWKXSUOUNGIAEV-UHFFFAOYSA-N 2 1 387.568 3.825 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715167 835159617 /nfs/dbraw/zinc/15/96/17/835159617.db2.gz WYRWHXNUDFVHNV-NZQKXSOJSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715167 835159619 /nfs/dbraw/zinc/15/96/19/835159619.db2.gz WYRWHXNUDFVHNV-NZQKXSOJSA-N 2 1 379.548 3.841 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131484013 835208928 /nfs/dbraw/zinc/20/89/28/835208928.db2.gz XXSZIJDMUKEZEP-QFIPXVFZSA-N 2 1 395.547 3.541 20 0 GHADMP C(=C\C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)\C[NH+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000685604275 835212363 /nfs/dbraw/zinc/21/23/63/835212363.db2.gz HWUNMYGGFKZMPW-GPVWPZIBSA-N 2 1 386.580 3.610 20 0 GHADMP C(=C\C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)\C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604275 835212371 /nfs/dbraw/zinc/21/23/71/835212371.db2.gz HWUNMYGGFKZMPW-GPVWPZIBSA-N 2 1 386.580 3.610 20 0 GHADMP C(=C\C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)\C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604275 835212377 /nfs/dbraw/zinc/21/23/77/835212377.db2.gz HWUNMYGGFKZMPW-GPVWPZIBSA-N 2 1 386.580 3.610 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000611976933 835253703 /nfs/dbraw/zinc/25/37/03/835253703.db2.gz DIYIIKOPFYJSEN-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000611976933 835253710 /nfs/dbraw/zinc/25/37/10/835253710.db2.gz DIYIIKOPFYJSEN-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cnn1-c1cc(C)ccc1C ZINC000132769188 835418490 /nfs/dbraw/zinc/41/84/90/835418490.db2.gz UVZZUDNWMHKZJV-CTNGQTDRSA-N 2 1 396.579 3.949 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC001208736662 835464311 /nfs/dbraw/zinc/46/43/11/835464311.db2.gz ILSBKSZDUMAYMJ-GOSISDBHSA-N 2 1 378.944 3.622 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC001208736662 835464317 /nfs/dbraw/zinc/46/43/17/835464317.db2.gz ILSBKSZDUMAYMJ-GOSISDBHSA-N 2 1 378.944 3.622 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cc1 ZINC000658140889 835467087 /nfs/dbraw/zinc/46/70/87/835467087.db2.gz ALWVAMUHRBIHRR-MGPUTAFESA-N 2 1 389.337 3.867 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000179428440 835559769 /nfs/dbraw/zinc/55/97/69/835559769.db2.gz BEEYHZLLNDDGCD-DEOSSOPVSA-N 2 1 397.538 3.930 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000179428440 835559778 /nfs/dbraw/zinc/55/97/78/835559778.db2.gz BEEYHZLLNDDGCD-DEOSSOPVSA-N 2 1 397.538 3.930 20 0 GHADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318638 835571923 /nfs/dbraw/zinc/57/19/23/835571923.db2.gz RDXOPVFBBHPXAH-PKTZIBPZSA-N 2 1 386.580 3.710 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000274876826 835755022 /nfs/dbraw/zinc/75/50/22/835755022.db2.gz YTZBYTORTVMNAC-KNQAVFIVSA-N 2 1 385.596 3.771 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Cc1ccccc1 ZINC000151730049 835786081 /nfs/dbraw/zinc/78/60/81/835786081.db2.gz HRLKYAJSNVECIS-TUSQITKMSA-N 2 1 394.607 3.835 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cscc2C(F)(F)F)c2cccs2)CC1 ZINC000584261359 835820734 /nfs/dbraw/zinc/82/07/34/835820734.db2.gz ZKWIMNTVFHVGQY-OAHLLOKOSA-N 2 1 389.512 3.907 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092565085 844114703 /nfs/dbraw/zinc/11/47/03/844114703.db2.gz WVAZROZDSHPDKK-LLVKDONJSA-N 2 1 388.256 3.981 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000180171276 836101703 /nfs/dbraw/zinc/10/17/03/836101703.db2.gz FGFHNCMOZTZKJU-TWDDROGUSA-N 2 1 380.532 3.619 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)CCO4)cc2)CC1 ZINC000178132642 836369524 /nfs/dbraw/zinc/36/95/24/836369524.db2.gz NTGAQLPBIIVWJH-IBGZPJMESA-N 2 1 379.548 3.610 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000531738424 844174492 /nfs/dbraw/zinc/17/44/92/844174492.db2.gz RHGSIDGDLDOWOE-DZFGPLHGSA-N 2 1 381.992 3.669 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531738424 844174496 /nfs/dbraw/zinc/17/44/96/844174496.db2.gz RHGSIDGDLDOWOE-DZFGPLHGSA-N 2 1 381.992 3.669 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N(C)C)[C@@H](C)C1 ZINC000531738424 844174501 /nfs/dbraw/zinc/17/45/01/844174501.db2.gz RHGSIDGDLDOWOE-DZFGPLHGSA-N 2 1 381.992 3.669 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000613491459 836540886 /nfs/dbraw/zinc/54/08/86/836540886.db2.gz SJDGMURQMSRMKV-VWNXMTODSA-N 2 1 388.596 3.885 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155212392 836579015 /nfs/dbraw/zinc/57/90/15/836579015.db2.gz PMWUQAWZOMQWLH-KNQAVFIVSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000892585243 836793855 /nfs/dbraw/zinc/79/38/55/836793855.db2.gz RYLRCEFWAYOMSJ-MRXNPFEDSA-N 2 1 377.533 3.568 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414264526 836799193 /nfs/dbraw/zinc/79/91/93/836799193.db2.gz KODUEMLQCUBEON-XKCSPQBFSA-N 2 1 384.568 3.522 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414264526 836799199 /nfs/dbraw/zinc/79/91/99/836799199.db2.gz KODUEMLQCUBEON-XKCSPQBFSA-N 2 1 384.568 3.522 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175619240 836920707 /nfs/dbraw/zinc/92/07/07/836920707.db2.gz QWZOTQDNQJMNKS-DENIHFKCSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513066976 844252599 /nfs/dbraw/zinc/25/25/99/844252599.db2.gz DBVSYURKODPXBV-OIBXWCBGSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513066976 844252603 /nfs/dbraw/zinc/25/26/03/844252603.db2.gz DBVSYURKODPXBV-OIBXWCBGSA-N 2 1 379.548 3.849 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659021339 837272991 /nfs/dbraw/zinc/27/29/91/837272991.db2.gz GASWKLCHLDJHDT-NRFANRHFSA-N 2 1 392.547 3.830 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000471337706 837289508 /nfs/dbraw/zinc/28/95/08/837289508.db2.gz USBDZYXJHBGDGU-RDPSFJRHSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471337706 837289516 /nfs/dbraw/zinc/28/95/16/837289516.db2.gz USBDZYXJHBGDGU-RDPSFJRHSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471337706 837289525 /nfs/dbraw/zinc/28/95/25/837289525.db2.gz USBDZYXJHBGDGU-RDPSFJRHSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000471337704 837289907 /nfs/dbraw/zinc/28/99/07/837289907.db2.gz USBDZYXJHBGDGU-GBXCKJPGSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@H]1C[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471337704 837289915 /nfs/dbraw/zinc/28/99/15/837289915.db2.gz USBDZYXJHBGDGU-GBXCKJPGSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@H]1C[C@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471337704 837289926 /nfs/dbraw/zinc/28/99/26/837289926.db2.gz USBDZYXJHBGDGU-GBXCKJPGSA-N 2 1 391.559 3.604 20 0 GHADMP Fc1ccc(Oc2cccc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)n2)cc1 ZINC000655793175 837914474 /nfs/dbraw/zinc/91/44/74/837914474.db2.gz VOIIVXVTKYPLPH-NRFANRHFSA-N 2 1 385.483 3.746 20 0 GHADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177492788 837990505 /nfs/dbraw/zinc/99/05/05/837990505.db2.gz WUDGCFWSXSQURV-ZCNNSNEGSA-N 2 1 387.568 3.533 20 0 GHADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177492788 837990510 /nfs/dbraw/zinc/99/05/10/837990510.db2.gz WUDGCFWSXSQURV-ZCNNSNEGSA-N 2 1 387.568 3.533 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000655831859 837997825 /nfs/dbraw/zinc/99/78/25/837997825.db2.gz MCIWMLPPKSJJLJ-ACIOBRDBSA-N 2 1 397.607 3.914 20 0 GHADMP CC1CCC([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000110180820 844294839 /nfs/dbraw/zinc/29/48/39/844294839.db2.gz JMGQPWPFJABUNC-UHFFFAOYSA-N 2 1 375.582 3.684 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3ccc4ccccc4c3)C2)CC1 ZINC000377902619 838131540 /nfs/dbraw/zinc/13/15/40/838131540.db2.gz FVIAWZAJYQOPDH-HSZRJFAPSA-N 2 1 381.564 3.709 20 0 GHADMP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000535682364 844301895 /nfs/dbraw/zinc/30/18/95/844301895.db2.gz YLSLKNJPEUADTM-FQEVSTJZSA-N 2 1 395.591 3.764 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000415916146 838264155 /nfs/dbraw/zinc/26/41/55/838264155.db2.gz AVKHCUWSDRGGEB-UHFFFAOYSA-N 2 1 384.499 3.675 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000415916146 838264164 /nfs/dbraw/zinc/26/41/64/838264164.db2.gz AVKHCUWSDRGGEB-UHFFFAOYSA-N 2 1 384.499 3.675 20 0 GHADMP CCC[C@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000415921222 838270648 /nfs/dbraw/zinc/27/06/48/838270648.db2.gz LKRMEUWERDTVOU-NRFANRHFSA-N 2 1 380.536 3.924 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000415930229 838287288 /nfs/dbraw/zinc/28/72/88/838287288.db2.gz ZTXBBNYQWXUOKZ-YADHBBJMSA-N 2 1 394.519 3.514 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000271222273 838319706 /nfs/dbraw/zinc/31/97/06/838319706.db2.gz KRZVWYHQIAJCRX-GOSISDBHSA-N 2 1 394.357 3.584 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415979569 838346339 /nfs/dbraw/zinc/34/63/39/838346339.db2.gz DJVPOXWYZASBJP-OAQYLSRUSA-N 2 1 380.536 3.830 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000415974870 838351802 /nfs/dbraw/zinc/35/18/02/838351802.db2.gz RVYCFIIQRVLRIZ-PGRDOPGGSA-N 2 1 380.536 3.923 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415996407 838374088 /nfs/dbraw/zinc/37/40/88/838374088.db2.gz MRNLTBCRLVSPKI-OFNKIYASSA-N 2 1 390.531 3.808 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000537956004 838526731 /nfs/dbraw/zinc/52/67/31/838526731.db2.gz VRLQTNXILAJFFW-YPMHNXCESA-N 2 1 395.263 3.919 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000537956004 838526738 /nfs/dbraw/zinc/52/67/38/838526738.db2.gz VRLQTNXILAJFFW-YPMHNXCESA-N 2 1 395.263 3.919 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000179167672 838534225 /nfs/dbraw/zinc/53/42/25/838534225.db2.gz ZEEPEUSAWUKDCR-KJXAQDMKSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179167672 838534230 /nfs/dbraw/zinc/53/42/30/838534230.db2.gz ZEEPEUSAWUKDCR-KJXAQDMKSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179167672 838534237 /nfs/dbraw/zinc/53/42/37/838534237.db2.gz ZEEPEUSAWUKDCR-KJXAQDMKSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179167672 838534241 /nfs/dbraw/zinc/53/42/41/838534241.db2.gz ZEEPEUSAWUKDCR-KJXAQDMKSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179167672 838534247 /nfs/dbraw/zinc/53/42/47/838534247.db2.gz ZEEPEUSAWUKDCR-KJXAQDMKSA-N 2 1 383.580 3.761 20 0 GHADMP FC(F)(F)Cn1ccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378302502 838820457 /nfs/dbraw/zinc/82/04/57/838820457.db2.gz YSNLUBLASSJVGY-UHFFFAOYSA-N 2 1 392.469 3.934 20 0 GHADMP FC(F)(F)Cn1ccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378302502 838820470 /nfs/dbraw/zinc/82/04/70/838820470.db2.gz YSNLUBLASSJVGY-UHFFFAOYSA-N 2 1 392.469 3.934 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCc1cccs1 ZINC000120232234 838887904 /nfs/dbraw/zinc/88/79/04/838887904.db2.gz CZSGKDVCMLCOCA-ROUUACIJSA-N 2 1 385.577 3.775 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)n1 ZINC000415059077 839130328 /nfs/dbraw/zinc/13/03/28/839130328.db2.gz WNGCSGOGUQUSCC-FUHWJXTLSA-N 2 1 378.442 3.855 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415102685 839209022 /nfs/dbraw/zinc/20/90/22/839209022.db2.gz CPNVOJCKZLRSLR-NRFANRHFSA-N 2 1 391.519 3.558 20 0 GHADMP CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000580304701 839215730 /nfs/dbraw/zinc/21/57/30/839215730.db2.gz TWWQZSTWDSDITP-LADGPHEKSA-N 2 1 382.548 3.536 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)c(Cl)c3)CC2)C1 ZINC000415126119 839234178 /nfs/dbraw/zinc/23/41/78/839234178.db2.gz PGADFYCHPCWPAK-YOEHRIQHSA-N 2 1 387.749 3.821 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000163722544 839382307 /nfs/dbraw/zinc/38/23/07/839382307.db2.gz NHKKMPWDBWIRLB-IBGZPJMESA-N 2 1 390.531 3.864 20 0 GHADMP C[C@@H]1C[C@H](c2cccnc2)[NH+](CCOCC[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)C1 ZINC000580425055 839545158 /nfs/dbraw/zinc/54/51/58/839545158.db2.gz DSQPYJVOVGOHQZ-FAYOUJPWSA-N 2 1 394.563 3.959 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000580551973 839795448 /nfs/dbraw/zinc/79/54/48/839795448.db2.gz FTIZAODVYWHCDK-QFIPXVFZSA-N 2 1 377.532 3.537 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000580679424 840002313 /nfs/dbraw/zinc/00/23/13/840002313.db2.gz WQJZFFOOVXIHGI-QFIPXVFZSA-N 2 1 386.584 3.729 20 0 GHADMP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000328632663 840002436 /nfs/dbraw/zinc/00/24/36/840002436.db2.gz LMSDBUBSAYSISW-IBHRTIHJSA-N 2 1 387.572 3.696 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580722908 840061036 /nfs/dbraw/zinc/06/10/36/840061036.db2.gz JXPCDXBAZLPFAZ-SFTDATJTSA-N 2 1 397.588 3.598 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580722908 840061045 /nfs/dbraw/zinc/06/10/45/840061045.db2.gz JXPCDXBAZLPFAZ-SFTDATJTSA-N 2 1 397.588 3.598 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580722908 840061058 /nfs/dbraw/zinc/06/10/58/840061058.db2.gz JXPCDXBAZLPFAZ-SFTDATJTSA-N 2 1 397.588 3.598 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000652050287 840098493 /nfs/dbraw/zinc/09/84/93/840098493.db2.gz AFAJLIOHIHKZKM-CTNGQTDRSA-N 2 1 377.532 3.550 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000652050287 840098504 /nfs/dbraw/zinc/09/85/04/840098504.db2.gz AFAJLIOHIHKZKM-CTNGQTDRSA-N 2 1 377.532 3.550 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)CC1 ZINC000511582925 840144456 /nfs/dbraw/zinc/14/44/56/840144456.db2.gz VCZNMPMMAUJZEU-RUZDIDTESA-N 2 1 391.559 3.623 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)CC1 ZINC000511582925 840144463 /nfs/dbraw/zinc/14/44/63/840144463.db2.gz VCZNMPMMAUJZEU-RUZDIDTESA-N 2 1 391.559 3.623 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCSc3ccc(F)cc3F)CC2)CC1 ZINC000660108168 840246874 /nfs/dbraw/zinc/24/68/74/840246874.db2.gz VITVJBWDEYZBJB-UHFFFAOYSA-N 2 1 383.552 3.547 20 0 GHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000660428231 840279839 /nfs/dbraw/zinc/27/98/39/840279839.db2.gz BKPBJKSNFBCRGB-HXUWFJFHSA-N 2 1 383.517 3.736 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000418486264 840306089 /nfs/dbraw/zinc/30/60/89/840306089.db2.gz IFINQLLKNBASHP-RTBURBONSA-N 2 1 386.584 3.892 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000416972928 840329610 /nfs/dbraw/zinc/32/96/10/840329610.db2.gz JFEUXKJSAPZITR-FQEVSTJZSA-N 2 1 394.563 3.732 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000418499517 840334269 /nfs/dbraw/zinc/33/42/69/840334269.db2.gz YDXOBHKIKOATQO-RBUKOAKNSA-N 2 1 380.536 3.512 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](NC[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693458 840338472 /nfs/dbraw/zinc/33/84/72/840338472.db2.gz QRCHMLGHVBUQGE-JWQCQUIFSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](NC[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693458 840338481 /nfs/dbraw/zinc/33/84/81/840338481.db2.gz QRCHMLGHVBUQGE-JWQCQUIFSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693458 840338487 /nfs/dbraw/zinc/33/84/87/840338487.db2.gz QRCHMLGHVBUQGE-JWQCQUIFSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693458 840338493 /nfs/dbraw/zinc/33/84/93/840338493.db2.gz QRCHMLGHVBUQGE-JWQCQUIFSA-N 2 1 393.575 3.532 20 0 GHADMP CN(C)c1cc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000500411720 840420454 /nfs/dbraw/zinc/42/04/54/840420454.db2.gz SUYKVXJCYQPCKG-IBGZPJMESA-N 2 1 392.425 3.541 20 0 GHADMP CN(C)c1cc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000500411720 840420461 /nfs/dbraw/zinc/42/04/61/840420461.db2.gz SUYKVXJCYQPCKG-IBGZPJMESA-N 2 1 392.425 3.541 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@]3(C)Cc3ccccc3)CC2)CC1 ZINC000584663594 840462674 /nfs/dbraw/zinc/46/26/74/840462674.db2.gz HCPAFYKOHZHFKW-VWLOTQADSA-N 2 1 397.607 3.807 20 0 GHADMP CCN(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418552457 840469979 /nfs/dbraw/zinc/46/99/79/840469979.db2.gz KYSLMFPNMYIEHU-FDDCHVKYSA-N 2 1 392.547 3.657 20 0 GHADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000364036015 840511752 /nfs/dbraw/zinc/51/17/52/840511752.db2.gz RKSAZWZKCGOCSQ-UYAOXDASSA-N 2 1 386.584 3.684 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000123361154 840535179 /nfs/dbraw/zinc/53/51/79/840535179.db2.gz XMGUSHSPLAAGEX-UTKZUKDTSA-N 2 1 381.524 3.512 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000652117342 840803879 /nfs/dbraw/zinc/80/38/79/840803879.db2.gz WDGDXHDXTUKBQJ-DOTOQJQBSA-N 2 1 376.932 3.512 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581208226 840851781 /nfs/dbraw/zinc/85/17/81/840851781.db2.gz KFFFKALONPOIBW-PKOBYXMFSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581208226 840851793 /nfs/dbraw/zinc/85/17/93/840851793.db2.gz KFFFKALONPOIBW-PKOBYXMFSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000509906994 844583643 /nfs/dbraw/zinc/58/36/43/844583643.db2.gz AYPZMGIABKHFIU-QGZVFWFLSA-N 2 1 379.504 3.796 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000581224157 840891231 /nfs/dbraw/zinc/89/12/31/840891231.db2.gz WCEMQAJWUDTNGS-IBGZPJMESA-N 2 1 396.579 3.943 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000548159766 841133822 /nfs/dbraw/zinc/13/38/22/841133822.db2.gz WHBQMWDCVHHAAX-AZUAARDMSA-N 2 1 378.520 3.632 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000548159766 841133829 /nfs/dbraw/zinc/13/38/29/841133829.db2.gz WHBQMWDCVHHAAX-AZUAARDMSA-N 2 1 378.520 3.632 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000581370576 841182855 /nfs/dbraw/zinc/18/28/55/841182855.db2.gz CZUTYRIFPZSTHL-RBUKOAKNSA-N 2 1 379.504 3.739 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417856985 841221832 /nfs/dbraw/zinc/22/18/32/841221832.db2.gz NMNVFQCWAXTTQK-OPAMFIHVSA-N 2 1 391.519 3.803 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000417875427 841233314 /nfs/dbraw/zinc/23/33/14/841233314.db2.gz LLHSLEJYGVFJAI-BHDDXSALSA-N 2 1 386.584 3.577 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000417875430 841233670 /nfs/dbraw/zinc/23/36/70/841233670.db2.gz LLHSLEJYGVFJAI-FDFHNCONSA-N 2 1 386.584 3.577 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000417876660 841233905 /nfs/dbraw/zinc/23/39/05/841233905.db2.gz NBTAFJVSGZZXJP-CBQGHPETSA-N 2 1 386.584 3.733 20 0 GHADMP CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000150726625 841409183 /nfs/dbraw/zinc/40/91/83/841409183.db2.gz ZOGMQGZKGPETNO-FQEVSTJZSA-N 2 1 375.557 3.748 20 0 GHADMP CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000150726625 841409192 /nfs/dbraw/zinc/40/91/92/841409192.db2.gz ZOGMQGZKGPETNO-FQEVSTJZSA-N 2 1 375.557 3.748 20 0 GHADMP O=C(Nc1ccc2nccn2c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000603808839 861211754 /nfs/dbraw/zinc/21/17/54/861211754.db2.gz JPDQJDSDIDNMDM-IBGZPJMESA-N 2 1 388.393 3.727 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000581517173 841577133 /nfs/dbraw/zinc/57/71/33/841577133.db2.gz RTEXOCLUQGGHJK-IOMROCGXSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000581517173 841577143 /nfs/dbraw/zinc/57/71/43/841577143.db2.gz RTEXOCLUQGGHJK-IOMROCGXSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000581517173 841577155 /nfs/dbraw/zinc/57/71/55/841577155.db2.gz RTEXOCLUQGGHJK-IOMROCGXSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000581517173 841577158 /nfs/dbraw/zinc/57/71/58/841577158.db2.gz RTEXOCLUQGGHJK-IOMROCGXSA-N 2 1 390.568 3.540 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662797237 841647715 /nfs/dbraw/zinc/64/77/15/841647715.db2.gz XACJWSTURXXQCN-UHFFFAOYSA-N 2 1 396.362 3.749 20 0 GHADMP CC[N@@H+](CCC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000651909918 841855861 /nfs/dbraw/zinc/85/58/61/841855861.db2.gz AEBOUWZWDBDCGN-GOSISDBHSA-N 2 1 380.598 3.828 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647171311 841948882 /nfs/dbraw/zinc/94/88/82/841948882.db2.gz FLXIFSDZWNWYIL-OAQYLSRUSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647171311 841948884 /nfs/dbraw/zinc/94/88/84/841948884.db2.gz FLXIFSDZWNWYIL-OAQYLSRUSA-N 2 1 383.580 3.810 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H](OCc2csc(C)n2)[C@H]2OCCC[C@H]21 ZINC001167826954 842063499 /nfs/dbraw/zinc/06/34/99/842063499.db2.gz ZNDMRFKJHLNEDS-OTNPHJDUSA-N 2 1 395.613 3.710 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1(C)C ZINC000623643446 861267386 /nfs/dbraw/zinc/26/73/86/861267386.db2.gz YLVNITCHHQTWDF-UGKGYDQZSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001167827641 842091087 /nfs/dbraw/zinc/09/10/87/842091087.db2.gz UKHJDAWYSBQPCD-OFNKIYASSA-N 2 1 386.584 3.549 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001167827992 842104776 /nfs/dbraw/zinc/10/47/76/842104776.db2.gz VEWJFFWHQUCYLE-XQBPLPMBSA-N 2 1 393.547 3.734 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432351674 842136953 /nfs/dbraw/zinc/13/69/53/842136953.db2.gz PLDDUZCIHGHGBT-INIZCTEOSA-N 2 1 390.959 3.733 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432351674 842136956 /nfs/dbraw/zinc/13/69/56/842136956.db2.gz PLDDUZCIHGHGBT-INIZCTEOSA-N 2 1 390.959 3.733 20 0 GHADMP CCCOc1c(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000432365622 842197213 /nfs/dbraw/zinc/19/72/13/842197213.db2.gz VXCWCWAPUBWSIG-MRXNPFEDSA-N 2 1 384.948 3.728 20 0 GHADMP CCCOc1c(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000432365622 842197218 /nfs/dbraw/zinc/19/72/18/842197218.db2.gz VXCWCWAPUBWSIG-MRXNPFEDSA-N 2 1 384.948 3.728 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001167836204 842329749 /nfs/dbraw/zinc/32/97/49/842329749.db2.gz XINKIEZEACHLGT-HOTGVXAUSA-N 2 1 388.478 3.849 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001167839586 842349331 /nfs/dbraw/zinc/34/93/31/842349331.db2.gz ANRSLFSCXOWQBN-AZUAARDMSA-N 2 1 380.598 3.780 20 0 GHADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1cccc2ccccc21 ZINC000652360702 842368733 /nfs/dbraw/zinc/36/87/33/842368733.db2.gz ODMMFOPAVLVEAJ-UEVCKROQSA-N 2 1 395.547 3.554 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000652362913 842370452 /nfs/dbraw/zinc/37/04/52/842370452.db2.gz SPPZQFKQVIATQE-AKIFATBCSA-N 2 1 393.531 3.800 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000652364075 842372413 /nfs/dbraw/zinc/37/24/13/842372413.db2.gz WVEJQDSSHMUIPZ-RZUBCFFCSA-N 2 1 390.531 3.862 20 0 GHADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000327241555 842421244 /nfs/dbraw/zinc/42/12/44/842421244.db2.gz QKJOHOUGTDPYPR-HBUWYVDXSA-N 2 1 384.351 3.635 20 0 GHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432418041 842436896 /nfs/dbraw/zinc/43/68/96/842436896.db2.gz YDKWAEHZKAYJMO-RTBURBONSA-N 2 1 375.557 3.618 20 0 GHADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432418041 842436903 /nfs/dbraw/zinc/43/69/03/842436903.db2.gz YDKWAEHZKAYJMO-RTBURBONSA-N 2 1 375.557 3.618 20 0 GHADMP Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000430676274 842454405 /nfs/dbraw/zinc/45/44/05/842454405.db2.gz HDJRGJTXGAUOAA-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471793548 842557780 /nfs/dbraw/zinc/55/77/80/842557780.db2.gz ODVZJOIUVVDKCU-SFTDATJTSA-N 2 1 382.552 3.595 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000662092384 842632500 /nfs/dbraw/zinc/63/25/00/842632500.db2.gz LJRWUUIJXUUWIV-LJQANCHMSA-N 2 1 380.374 3.612 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000662092384 842632508 /nfs/dbraw/zinc/63/25/08/842632508.db2.gz LJRWUUIJXUUWIV-LJQANCHMSA-N 2 1 380.374 3.612 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000581911755 842643342 /nfs/dbraw/zinc/64/33/42/842643342.db2.gz JCHYWJCCVUMORE-SJORKVTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000581911755 842643345 /nfs/dbraw/zinc/64/33/45/842643345.db2.gz JCHYWJCCVUMORE-SJORKVTESA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000581911755 842643349 /nfs/dbraw/zinc/64/33/49/842643349.db2.gz JCHYWJCCVUMORE-SJORKVTESA-N 2 1 386.458 3.943 20 0 GHADMP Cc1ccc(OC(F)F)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512181976 842799291 /nfs/dbraw/zinc/79/92/91/842799291.db2.gz CJUSAMVMEMWLAF-CALCHBBNSA-N 2 1 382.495 3.918 20 0 GHADMP C[C@@H]1CCc2nc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)sc2C1 ZINC000512185594 842833590 /nfs/dbraw/zinc/83/35/90/842833590.db2.gz KKMVPEUWOIDUIQ-IKGGRYGDSA-N 2 1 377.598 3.589 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1=CC[NH+](C)CC1 ZINC000510522378 842893628 /nfs/dbraw/zinc/89/36/28/842893628.db2.gz JZSQHSFXWHHVCE-IBGZPJMESA-N 2 1 398.595 3.901 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)C1=CC[N@H+](C)CC1 ZINC000510522378 842893640 /nfs/dbraw/zinc/89/36/40/842893640.db2.gz JZSQHSFXWHHVCE-IBGZPJMESA-N 2 1 398.595 3.901 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000510522378 842893654 /nfs/dbraw/zinc/89/36/54/842893654.db2.gz JZSQHSFXWHHVCE-IBGZPJMESA-N 2 1 398.595 3.901 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000662290043 843078517 /nfs/dbraw/zinc/07/85/17/843078517.db2.gz GBWYPFLIMOVJBP-QHCPKHFHSA-N 2 1 391.559 3.928 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(C)n1CC(F)(F)F ZINC000662291607 843083944 /nfs/dbraw/zinc/08/39/44/843083944.db2.gz JDKKQCHHMAHPHE-KRWDZBQOSA-N 2 1 385.474 3.562 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc2)CC1 ZINC000182302968 843164512 /nfs/dbraw/zinc/16/45/12/843164512.db2.gz JXBRRHFHOJGNKR-PKTZIBPZSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662388913 843184901 /nfs/dbraw/zinc/18/49/01/843184901.db2.gz QERLRAPKGAHMDE-FDDCHVKYSA-N 2 1 377.532 3.769 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000673693684 861393169 /nfs/dbraw/zinc/39/31/69/861393169.db2.gz IJCQIGVLBKSPBH-FQEVSTJZSA-N 2 1 383.536 3.858 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1cccc(Cl)c1Cl ZINC000662571312 843413745 /nfs/dbraw/zinc/41/37/45/843413745.db2.gz MMGYGMBRBRQENX-HNNXBMFYSA-N 2 1 399.347 3.816 20 0 GHADMP CN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418659460 843509684 /nfs/dbraw/zinc/50/96/84/843509684.db2.gz LYJGCBSVTBKZKV-PKTZIBPZSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662676583 843509729 /nfs/dbraw/zinc/50/97/29/843509729.db2.gz YLHRSIQYJPSJOQ-QVKFZJNVSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662676583 843509737 /nfs/dbraw/zinc/50/97/37/843509737.db2.gz YLHRSIQYJPSJOQ-QVKFZJNVSA-N 2 1 387.474 3.655 20 0 GHADMP CC1(C)CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418684896 843532343 /nfs/dbraw/zinc/53/23/43/843532343.db2.gz YNQJWEAVCNKOSE-QFIPXVFZSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000663469974 843679440 /nfs/dbraw/zinc/67/94/40/843679440.db2.gz SFIIGAXCXPTPPD-UYAOXDASSA-N 2 1 382.552 3.772 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512418984 843746965 /nfs/dbraw/zinc/74/69/65/843746965.db2.gz UJBRIQUWWUYKNL-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cc(C[NH+]3CCCO[C@@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210720 843860414 /nfs/dbraw/zinc/86/04/14/843860414.db2.gz XJZSUYAGYHHNSN-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP CC[C@@H]1C[NH+](Cc2cc(C[N@@H+]3CCCO[C@@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210720 843860420 /nfs/dbraw/zinc/86/04/20/843860420.db2.gz XJZSUYAGYHHNSN-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP CC[C@@H]1C[NH+](Cc2cc(C[N@H+]3CCCO[C@@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210720 843860430 /nfs/dbraw/zinc/86/04/30/843860430.db2.gz XJZSUYAGYHHNSN-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP CCOc1c(Br)cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000391447040 843861901 /nfs/dbraw/zinc/86/19/01/843861901.db2.gz CEKYUGXWJVZETH-HUUCEWRRSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000391447040 843861911 /nfs/dbraw/zinc/86/19/11/843861911.db2.gz CEKYUGXWJVZETH-HUUCEWRRSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000391447040 843861923 /nfs/dbraw/zinc/86/19/23/843861923.db2.gz CEKYUGXWJVZETH-HUUCEWRRSA-N 2 1 383.330 3.573 20 0 GHADMP Cc1noc2ncc(CNc3ccc([NH+]4CCC(C[NH+](C)C)CC4)cc3)cc12 ZINC000894131501 843866866 /nfs/dbraw/zinc/86/68/66/843866866.db2.gz SHHNJFUAQSCZMO-UHFFFAOYSA-N 2 1 379.508 3.921 20 0 GHADMP CN1CC[N@@H+](C)C[C@H]1CNc1cc(C2CC2)nc2c(Br)cccc12 ZINC000432825648 843993596 /nfs/dbraw/zinc/99/35/96/843993596.db2.gz XGEFEGBHNVXHLZ-CQSZACIVSA-N 2 1 389.341 3.532 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616567 844751991 /nfs/dbraw/zinc/75/19/91/844751991.db2.gz BRKSANZUUJQBIF-RBZQAINGSA-N 3 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616567 844751997 /nfs/dbraw/zinc/75/19/97/844751997.db2.gz BRKSANZUUJQBIF-RBZQAINGSA-N 3 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616567 844752007 /nfs/dbraw/zinc/75/20/07/844752007.db2.gz BRKSANZUUJQBIF-RBZQAINGSA-N 2 1 397.607 3.522 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccs1 ZINC000512626568 844804511 /nfs/dbraw/zinc/80/45/11/844804511.db2.gz VJMWFCBEYJMCJK-NJDAHSKKSA-N 2 1 397.588 3.758 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)o1 ZINC001142639361 861504314 /nfs/dbraw/zinc/50/43/14/861504314.db2.gz CGRODALZEOJZGD-UHFFFAOYSA-N 2 1 382.504 3.944 20 0 GHADMP O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512647355 844891122 /nfs/dbraw/zinc/89/11/22/844891122.db2.gz HPFWUNBWXXKUKP-DNVJHFABSA-N 2 1 383.580 3.669 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512659793 844938428 /nfs/dbraw/zinc/93/84/28/844938428.db2.gz JURRKNMBPIZSGB-KMDXXIMOSA-N 2 1 391.559 3.535 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCCC1 ZINC000512666129 844960486 /nfs/dbraw/zinc/96/04/86/844960486.db2.gz IZNJOYWLMDZGKV-RJGXRXQPSA-N 2 1 383.580 3.669 20 0 GHADMP c1cc2cccc(C[N@@H+]3CCC[C@H](CN4CCN(c5ccccn5)CC4)C3)c2[nH]1 ZINC000512668019 844974770 /nfs/dbraw/zinc/97/47/70/844974770.db2.gz IJRGUIGDOKEVHY-HXUWFJFHSA-N 2 1 389.547 3.597 20 0 GHADMP CC(CCN1CCC([NH+]2CCCC2)CC1)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000411170586 845046631 /nfs/dbraw/zinc/04/66/31/845046631.db2.gz BHEWOOMKBSEBIZ-UHFFFAOYSA-N 3 1 390.660 3.523 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000512687305 845054865 /nfs/dbraw/zinc/05/48/65/845054865.db2.gz PRMLOROGPNUCKM-OYRHEFFESA-N 2 1 378.564 3.739 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000512687305 845054875 /nfs/dbraw/zinc/05/48/75/845054875.db2.gz PRMLOROGPNUCKM-OYRHEFFESA-N 2 1 378.564 3.739 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@H]1CN1CCCC1)CC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000411226953 845108686 /nfs/dbraw/zinc/10/86/86/845108686.db2.gz OGJNIKHUEUOLAJ-BKFWDETESA-N 2 1 390.660 3.523 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1CN1CCCC1)CC[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000411226953 845108694 /nfs/dbraw/zinc/10/86/94/845108694.db2.gz OGJNIKHUEUOLAJ-BKFWDETESA-N 2 1 390.660 3.523 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1CN1CCCC1)CC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000411226953 845108698 /nfs/dbraw/zinc/10/86/98/845108698.db2.gz OGJNIKHUEUOLAJ-BKFWDETESA-N 2 1 390.660 3.523 20 0 GHADMP CC[N@@H+](CCC1CCN(c2cc(N3CCSCC3)ncn2)CC1)CC(C)C ZINC000433750040 845296916 /nfs/dbraw/zinc/29/69/16/845296916.db2.gz RRQKIYGENHFIRB-UHFFFAOYSA-N 2 1 391.629 3.614 20 0 GHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664010825 845350908 /nfs/dbraw/zinc/35/09/08/845350908.db2.gz IUZKJUNNVNVWRI-UHFFFAOYSA-N 2 1 379.426 3.945 20 0 GHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664010825 845350926 /nfs/dbraw/zinc/35/09/26/845350926.db2.gz IUZKJUNNVNVWRI-UHFFFAOYSA-N 2 1 379.426 3.945 20 0 GHADMP COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000513506404 845543193 /nfs/dbraw/zinc/54/31/93/845543193.db2.gz QAJYBBSHLGYUAG-IEBWSBKVSA-N 2 1 382.504 3.814 20 0 GHADMP Cc1cccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433176130 845590981 /nfs/dbraw/zinc/59/09/81/845590981.db2.gz RJTIEQMCOYBWCP-UHFFFAOYSA-N 2 1 391.559 3.599 20 0 GHADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000563212174 845946352 /nfs/dbraw/zinc/94/63/52/845946352.db2.gz USMUPRUUPZIGNN-QUCCMNQESA-N 2 1 387.549 3.537 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(-n2cccn2)cc1 ZINC000481542697 861639977 /nfs/dbraw/zinc/63/99/77/861639977.db2.gz KCWXGVOLQKJUOZ-PMACEKPBSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(-n2cccn2)cc1 ZINC000481542697 861639983 /nfs/dbraw/zinc/63/99/83/861639983.db2.gz KCWXGVOLQKJUOZ-PMACEKPBSA-N 2 1 390.531 3.944 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000582057994 846185025 /nfs/dbraw/zinc/18/50/25/846185025.db2.gz LUSDMGQOKCJPND-XXBNENTESA-N 2 1 382.548 3.804 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000548673343 846305281 /nfs/dbraw/zinc/30/52/81/846305281.db2.gz JVUXJWFJDHVHBW-RCOXNQKVSA-N 2 1 396.535 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC[N@H+]1Cc1ccccc1 ZINC000548673343 846305295 /nfs/dbraw/zinc/30/52/95/846305295.db2.gz JVUXJWFJDHVHBW-RCOXNQKVSA-N 2 1 396.535 3.810 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000277479151 846346005 /nfs/dbraw/zinc/34/60/05/846346005.db2.gz MMXOFBMPCUZWRU-HSZRJFAPSA-N 2 1 389.547 3.910 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000277479151 846346011 /nfs/dbraw/zinc/34/60/11/846346011.db2.gz MMXOFBMPCUZWRU-HSZRJFAPSA-N 2 1 389.547 3.910 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000502852089 846547026 /nfs/dbraw/zinc/54/70/26/846547026.db2.gz ZZXUEJGTKWHPMM-KRWDZBQOSA-N 2 1 394.523 3.575 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000502852089 846547031 /nfs/dbraw/zinc/54/70/31/846547031.db2.gz ZZXUEJGTKWHPMM-KRWDZBQOSA-N 2 1 394.523 3.575 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3cc(Br)ccc3C[C@H]2C)CC1 ZINC000501015874 846551827 /nfs/dbraw/zinc/55/18/27/846551827.db2.gz RTZLXLFWHSYTIO-QGZVFWFLSA-N 2 1 394.401 3.612 20 0 GHADMP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501044608 846570810 /nfs/dbraw/zinc/57/08/10/846570810.db2.gz HCBCQFOKAUAZBU-LJQANCHMSA-N 2 1 384.568 3.625 20 0 GHADMP O[C@@H](CCc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554591 846608054 /nfs/dbraw/zinc/60/80/54/846608054.db2.gz RIUBBPAFWWLDNH-LOSJGSFVSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@@H](CCc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554591 846608058 /nfs/dbraw/zinc/60/80/58/846608058.db2.gz RIUBBPAFWWLDNH-LOSJGSFVSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@@H](CCc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554591 846608062 /nfs/dbraw/zinc/60/80/62/846608062.db2.gz RIUBBPAFWWLDNH-LOSJGSFVSA-N 2 1 378.560 3.968 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C2CC2)c(F)c1 ZINC000421840617 846631299 /nfs/dbraw/zinc/63/12/99/846631299.db2.gz HFCRZOBERDBREV-FDFHNCONSA-N 2 1 376.516 3.643 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C(C)C)c(F)c1 ZINC000421842305 846632609 /nfs/dbraw/zinc/63/26/09/846632609.db2.gz NNTFZJGFFHFAKI-CVDCTZTESA-N 2 1 386.511 3.888 20 0 GHADMP OCC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C2CC3CC(C2)CC1C3 ZINC000414559824 846681721 /nfs/dbraw/zinc/68/17/21/846681721.db2.gz QMDZGOVKSSZLGD-UHFFFAOYSA-N 2 1 386.555 3.609 20 0 GHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000548721137 846803307 /nfs/dbraw/zinc/80/33/07/846803307.db2.gz NLEPQRWCHIQURY-UHFFFAOYSA-N 2 1 386.584 3.810 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657390592 846853561 /nfs/dbraw/zinc/85/35/61/846853561.db2.gz YNICFFBQKPFBIB-UHFFFAOYSA-N 2 1 394.437 3.674 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509944767 846874742 /nfs/dbraw/zinc/87/47/42/846874742.db2.gz QOCLEFYWWBINJE-HDICACEKSA-N 2 1 393.531 3.899 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000420249744 847063940 /nfs/dbraw/zinc/06/39/40/847063940.db2.gz YQTAMPNNPZJBHH-MRXNPFEDSA-N 2 1 395.576 3.985 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC([C@@H]4CC[NH2+]C4)CC3)c2c1C ZINC000420261143 847076705 /nfs/dbraw/zinc/07/67/05/847076705.db2.gz OYDRSFXFSRSJRB-GOSISDBHSA-N 2 1 399.608 3.730 20 0 GHADMP C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272673727 847142020 /nfs/dbraw/zinc/14/20/20/847142020.db2.gz QGRJLAZEMAJZLN-FYYLOGMGSA-N 2 1 385.596 3.522 20 0 GHADMP Cc1ccc(F)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1F ZINC001167572170 847147397 /nfs/dbraw/zinc/14/73/97/847147397.db2.gz KPIHPPFNUMHJBF-UHFFFAOYSA-N 2 1 379.539 3.901 20 0 GHADMP Cc1ccc(F)c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1F ZINC001167572170 847147406 /nfs/dbraw/zinc/14/74/06/847147406.db2.gz KPIHPPFNUMHJBF-UHFFFAOYSA-N 2 1 379.539 3.901 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513774216 847148095 /nfs/dbraw/zinc/14/80/95/847148095.db2.gz WOMBOVAXPBMVRP-CVDCTZTESA-N 2 1 379.548 3.921 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000272743790 847161658 /nfs/dbraw/zinc/16/16/58/847161658.db2.gz BGKCNPUWHGBHTL-WGMWDUQUSA-N 2 1 384.593 3.858 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000126370954 847443183 /nfs/dbraw/zinc/44/31/83/847443183.db2.gz WVCBPQKHIXDFNS-UZLBHIALSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000422244125 847488604 /nfs/dbraw/zinc/48/86/04/847488604.db2.gz JSXRIUWXHMWFEJ-ZXDFIECXSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000422244123 847488765 /nfs/dbraw/zinc/48/87/65/847488765.db2.gz JSXRIUWXHMWFEJ-FTWXPCQCSA-N 2 1 386.584 3.554 20 0 GHADMP c1ccc(COC[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420918593 847538958 /nfs/dbraw/zinc/53/89/58/847538958.db2.gz WPSAFAZZCDFALM-DEOSSOPVSA-N 2 1 380.532 3.558 20 0 GHADMP c1ccc(COC[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420918593 847538962 /nfs/dbraw/zinc/53/89/62/847538962.db2.gz WPSAFAZZCDFALM-DEOSSOPVSA-N 2 1 380.532 3.558 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420986796 847593748 /nfs/dbraw/zinc/59/37/48/847593748.db2.gz ZBBBGQAHBVTOLR-QGZVFWFLSA-N 2 1 381.511 3.841 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(-c4ccc(C)cc4)no3)CC2)CC1 ZINC000421008196 847626948 /nfs/dbraw/zinc/62/69/48/847626948.db2.gz LSOFICXBNAPUKD-UHFFFAOYSA-N 2 1 382.552 3.642 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000664315336 847638401 /nfs/dbraw/zinc/63/84/01/847638401.db2.gz BTBOYZPZAFNJKP-OAQYLSRUSA-N 2 1 390.531 3.768 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000664315336 847638413 /nfs/dbraw/zinc/63/84/13/847638413.db2.gz BTBOYZPZAFNJKP-OAQYLSRUSA-N 2 1 390.531 3.768 20 0 GHADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000422631468 847741406 /nfs/dbraw/zinc/74/14/06/847741406.db2.gz FONFLYHBYWLLNV-WKUQZLKGSA-N 2 1 397.588 3.527 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000422631468 847741416 /nfs/dbraw/zinc/74/14/16/847741416.db2.gz FONFLYHBYWLLNV-WKUQZLKGSA-N 2 1 397.588 3.527 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000237164547 847755844 /nfs/dbraw/zinc/75/58/44/847755844.db2.gz OEWXKLZWTJXJAV-UHFFFAOYSA-N 2 1 377.479 3.588 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422731669 847787598 /nfs/dbraw/zinc/78/75/98/847787598.db2.gz MDFUQGQWSGTQRL-WMTXJRDZSA-N 2 1 379.548 3.915 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1c[nH+]ccc1N ZINC000422714099 847790592 /nfs/dbraw/zinc/79/05/92/847790592.db2.gz QSKSTKOUHNGXGY-CQSZACIVSA-N 2 1 378.442 3.828 20 0 GHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422805205 847830665 /nfs/dbraw/zinc/83/06/65/847830665.db2.gz ITDWASJRCVGRAI-LADGPHEKSA-N 2 1 377.532 3.628 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc3ccccc32)C2CCCC2)C1 ZINC000414694209 847832056 /nfs/dbraw/zinc/83/20/56/847832056.db2.gz MTIVMIDALIVQDH-LJQANCHMSA-N 2 1 379.548 3.782 20 0 GHADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422793238 847838741 /nfs/dbraw/zinc/83/87/41/847838741.db2.gz WSYMUWOMFADPSC-ISKFKSNPSA-N 2 1 379.548 3.874 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422877868 847865888 /nfs/dbraw/zinc/86/58/88/847865888.db2.gz SCQTUYDLYUSCGJ-UTKZUKDTSA-N 2 1 390.430 3.642 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422916597 847887295 /nfs/dbraw/zinc/88/72/95/847887295.db2.gz DSGKPOOABWVGBX-LRDDRELGSA-N 2 1 387.833 3.681 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)[NH+](C)C)cc1 ZINC000611675660 847893155 /nfs/dbraw/zinc/89/31/55/847893155.db2.gz PNPMPAJJQYMCAF-DHIUTWEWSA-N 2 1 394.563 3.550 20 0 GHADMP CC(C)N1CC[C@@H]([NH2+]CCCc2c[nH+]cn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000582733682 848207487 /nfs/dbraw/zinc/20/74/87/848207487.db2.gz KWWHFKXPLUDSEH-UXHICEINSA-N 2 1 378.923 3.959 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)cc2)C1 ZINC000657594251 848284381 /nfs/dbraw/zinc/28/43/81/848284381.db2.gz HNSHVXLGNSPWEG-HXUWFJFHSA-N 2 1 379.529 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)cc2)C1 ZINC000657594251 848284386 /nfs/dbraw/zinc/28/43/86/848284386.db2.gz HNSHVXLGNSPWEG-HXUWFJFHSA-N 2 1 379.529 3.667 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237473022 848284763 /nfs/dbraw/zinc/28/47/63/848284763.db2.gz HYRGBVGUZUYFPJ-DNVFCKCGSA-N 2 1 379.548 3.871 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657593693 848285724 /nfs/dbraw/zinc/28/57/24/848285724.db2.gz BLYYUPSYGGLXDM-PGRDOPGGSA-N 2 1 398.547 3.729 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657598020 848301733 /nfs/dbraw/zinc/30/17/33/848301733.db2.gz XAUMKVGNOSJARD-KGEPOTPBSA-N 2 1 380.532 3.593 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1nc2ccccc2n1C ZINC000180011058 861903284 /nfs/dbraw/zinc/90/32/84/861903284.db2.gz YPIQQZZVUJSCCE-WMZHIEFXSA-N 2 1 391.563 3.603 20 0 GHADMP C[C@H]1CC([N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045499 861907865 /nfs/dbraw/zinc/90/78/65/861907865.db2.gz KBUNQKQIQQBSMI-YUXWQYAESA-N 2 1 381.564 3.515 20 0 GHADMP C[C@H]1CC([N@H+]2CC3CC2(C(=O)N2CCCC2)C3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168045499 861907879 /nfs/dbraw/zinc/90/78/79/861907879.db2.gz KBUNQKQIQQBSMI-YUXWQYAESA-N 2 1 381.564 3.515 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079526 849027637 /nfs/dbraw/zinc/02/76/37/849027637.db2.gz YFRPLTKGUSMCLT-FUHWJXTLSA-N 2 1 380.960 3.585 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000079610853 849140152 /nfs/dbraw/zinc/14/01/52/849140152.db2.gz VRXQLVOGPJEJSD-JOCHJYFZSA-N 2 1 386.584 3.585 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000583193010 849300249 /nfs/dbraw/zinc/30/02/49/849300249.db2.gz KOLPVGJGRZVZMC-CEMLEFRQSA-N 2 1 398.595 3.638 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000555855790 862007298 /nfs/dbraw/zinc/00/72/98/862007298.db2.gz FFGFSLYHXFWUSM-DHIUTWEWSA-N 2 1 394.563 3.707 20 0 GHADMP CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000124920234 849409937 /nfs/dbraw/zinc/40/99/37/849409937.db2.gz IGZFLZCKDYILJS-QGZVFWFLSA-N 2 1 392.503 3.546 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000511236720 849617093 /nfs/dbraw/zinc/61/70/93/849617093.db2.gz XDSFXRDNQNISAQ-CNNODRBYSA-N 2 1 386.584 3.702 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)C1 ZINC000414737230 849882018 /nfs/dbraw/zinc/88/20/18/849882018.db2.gz AHKXUWITXYJZDH-VGOFRKELSA-N 2 1 397.950 3.637 20 0 GHADMP FC(F)(F)Oc1cccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)c1 ZINC000423500417 849944425 /nfs/dbraw/zinc/94/44/25/849944425.db2.gz AFEIVHPMZJIWMW-QLOJAFMTSA-N 2 1 397.485 3.842 20 0 GHADMP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423520534 849965664 /nfs/dbraw/zinc/96/56/64/849965664.db2.gz RFDUVFHSVBWAJV-HAVWALLASA-N 2 1 385.596 3.769 20 0 GHADMP COc1ccc(Cl)cc1[C@H](C)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423565290 849981764 /nfs/dbraw/zinc/98/17/64/849981764.db2.gz LPIJQXQVXBOAPD-KRWDZBQOSA-N 2 1 387.955 3.993 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2C[NH+](C)C[C@H]2C)cc1)C[C@H]1CCCCO1 ZINC000486832988 850136958 /nfs/dbraw/zinc/13/69/58/850136958.db2.gz JSBDKKNHUXCKKZ-QIJUGHKUSA-N 2 1 387.568 3.602 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc1)C[C@H]1CCCCO1 ZINC000486832988 850136966 /nfs/dbraw/zinc/13/69/66/850136966.db2.gz JSBDKKNHUXCKKZ-QIJUGHKUSA-N 2 1 387.568 3.602 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1)C[C@H]1CCCCO1 ZINC000486832988 850136976 /nfs/dbraw/zinc/13/69/76/850136976.db2.gz JSBDKKNHUXCKKZ-QIJUGHKUSA-N 2 1 387.568 3.602 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC001128559590 862095215 /nfs/dbraw/zinc/09/52/15/862095215.db2.gz JDKOUYUTBLALFT-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000481713329 862117214 /nfs/dbraw/zinc/11/72/14/862117214.db2.gz CBQQZGIUFMNMFV-SIKLNZKXSA-N 3 1 393.641 3.687 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000481713329 862117224 /nfs/dbraw/zinc/11/72/24/862117224.db2.gz CBQQZGIUFMNMFV-SIKLNZKXSA-N 2 1 393.641 3.687 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccncc2)c2cccs2)C1 ZINC000424281437 850351833 /nfs/dbraw/zinc/35/18/33/850351833.db2.gz NMPSEEGBAYUVAI-YADHBBJMSA-N 2 1 393.556 3.783 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)CC[NH2+]CC2 ZINC000424368589 850408603 /nfs/dbraw/zinc/40/86/03/850408603.db2.gz APVKJDRDMSLEHF-OAHLLOKOSA-N 2 1 378.442 3.855 20 0 GHADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000504893825 850420888 /nfs/dbraw/zinc/42/08/88/850420888.db2.gz IHVLVLLIEIOOHK-PGRDOPGGSA-N 2 1 377.532 3.721 20 0 GHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414786383 850443214 /nfs/dbraw/zinc/44/32/14/850443214.db2.gz AXPYJGFSIJLCNR-NRFANRHFSA-N 2 1 394.519 3.629 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000505685823 850468273 /nfs/dbraw/zinc/46/82/73/850468273.db2.gz HEOPPWBAQOBXAR-XUVXKRRUSA-N 2 1 392.975 3.649 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1)C1CC[NH+](C)CC1 ZINC000425373686 850483991 /nfs/dbraw/zinc/48/39/91/850483991.db2.gz QMGHXBVOUQWKLI-XMMPIXPASA-N 2 1 397.607 3.998 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@H]3C)CC2)CC1 ZINC000569708658 850486054 /nfs/dbraw/zinc/48/60/54/850486054.db2.gz VNMLSESVQZQVPA-REHUZNOOSA-N 2 1 397.607 3.976 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1Cl ZINC000439965239 850614138 /nfs/dbraw/zinc/61/41/38/850614138.db2.gz FNEAKMVGJWUSJA-GOSISDBHSA-N 2 1 379.932 3.626 20 0 GHADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCCOc1ccccc1Cl ZINC000414872400 850754093 /nfs/dbraw/zinc/75/40/93/850754093.db2.gz FYFOWIFOGKCMPL-UHFFFAOYSA-N 2 1 390.911 3.777 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC000440259924 850973508 /nfs/dbraw/zinc/97/35/08/850973508.db2.gz MJRCPTWWESTYME-PGRDOPGGSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC000440259924 850973515 /nfs/dbraw/zinc/97/35/15/850973515.db2.gz MJRCPTWWESTYME-PGRDOPGGSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@H]1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC000440259924 850973527 /nfs/dbraw/zinc/97/35/27/850973527.db2.gz MJRCPTWWESTYME-PGRDOPGGSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000519361838 850980046 /nfs/dbraw/zinc/98/00/46/850980046.db2.gz GWJMXAHLAVCHHM-CTNGQTDRSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000519361838 850980055 /nfs/dbraw/zinc/98/00/55/850980055.db2.gz GWJMXAHLAVCHHM-CTNGQTDRSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000519361838 850980062 /nfs/dbraw/zinc/98/00/62/850980062.db2.gz GWJMXAHLAVCHHM-CTNGQTDRSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000514011090 851116954 /nfs/dbraw/zinc/11/69/54/851116954.db2.gz JXWKWMZUMZKPFX-NZQKXSOJSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000514011090 851116960 /nfs/dbraw/zinc/11/69/60/851116960.db2.gz JXWKWMZUMZKPFX-NZQKXSOJSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514011090 851116966 /nfs/dbraw/zinc/11/69/66/851116966.db2.gz JXWKWMZUMZKPFX-NZQKXSOJSA-N 2 1 394.563 3.643 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C(F)(F)F)s2)c2cccs2)CC1 ZINC000515531554 851139713 /nfs/dbraw/zinc/13/97/13/851139713.db2.gz WVCHMTSGYPJLAO-CQSZACIVSA-N 2 1 389.512 3.907 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000514033246 851148883 /nfs/dbraw/zinc/14/88/83/851148883.db2.gz RHBATIYWLFVOEX-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP CC[C@@]1(CO)CCC[N@@H+](Cc2cccc(C[NH+]3CCC[C@](CC)(CO)C3)c2)C1 ZINC000187583982 851199792 /nfs/dbraw/zinc/19/97/92/851199792.db2.gz XRTKDZYYBUHNKE-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@](CC)(CO)C3)c2)C1 ZINC000187583982 851199797 /nfs/dbraw/zinc/19/97/97/851199797.db2.gz XRTKDZYYBUHNKE-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@](CC)(CO)C3)c2)C1 ZINC000187583982 851199801 /nfs/dbraw/zinc/19/98/01/851199801.db2.gz XRTKDZYYBUHNKE-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP Cc1nn2c(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)c(C)nc2s1 ZINC000514097743 851260720 /nfs/dbraw/zinc/26/07/20/851260720.db2.gz APTLAPUOZUIWFA-UHFFFAOYSA-N 2 1 383.565 3.752 20 0 GHADMP Cc1nn2c(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)c(C)nc2s1 ZINC000514097743 851260727 /nfs/dbraw/zinc/26/07/27/851260727.db2.gz APTLAPUOZUIWFA-UHFFFAOYSA-N 2 1 383.565 3.752 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)CC1 ZINC000514141574 851307474 /nfs/dbraw/zinc/30/74/74/851307474.db2.gz HJZJPHPCUIVRGI-GOSISDBHSA-N 2 1 385.474 3.546 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)N1CCc2ccccc21 ZINC000515757054 851437416 /nfs/dbraw/zinc/43/74/16/851437416.db2.gz OAUQCSNVDLHINQ-PMACEKPBSA-N 2 1 391.559 3.986 20 0 GHADMP CCN(C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000434683637 851491218 /nfs/dbraw/zinc/49/12/18/851491218.db2.gz DTTDMEJLMYQTNN-SFHVURJKSA-N 2 1 386.584 3.969 20 0 GHADMP Cc1c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)sc2c1cccc2Cl ZINC000550122469 851672853 /nfs/dbraw/zinc/67/28/53/851672853.db2.gz HZRIBWUMRWLNNG-CQSZACIVSA-N 2 1 379.957 3.540 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000473733790 851786287 /nfs/dbraw/zinc/78/62/87/851786287.db2.gz MYVYJGNMNGIGAD-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)ccc2n1 ZINC000438188354 852118343 /nfs/dbraw/zinc/11/83/43/852118343.db2.gz IRNUNLSPPZZGDI-XZOQPEGZSA-N 2 1 375.516 3.516 20 0 GHADMP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)ccc2n1 ZINC000438188354 852118348 /nfs/dbraw/zinc/11/83/48/852118348.db2.gz IRNUNLSPPZZGDI-XZOQPEGZSA-N 2 1 375.516 3.516 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000489208638 852120115 /nfs/dbraw/zinc/12/01/15/852120115.db2.gz VQKAHVVDTQVYKL-XXBNENTESA-N 2 1 396.579 3.937 20 0 GHADMP O=C(Nc1cccc2c1CC[NH2+]C2)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000516164062 852206362 /nfs/dbraw/zinc/20/63/62/852206362.db2.gz BZWIGUCBAWPDPM-SEJPIABJSA-N 2 1 390.531 3.649 20 0 GHADMP C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517652751 852208724 /nfs/dbraw/zinc/20/87/24/852208724.db2.gz XWNINKMQUQBCKA-QGZVFWFLSA-N 2 1 396.535 3.537 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000516164194 852230579 /nfs/dbraw/zinc/23/05/79/852230579.db2.gz PNHIBWCJAOCPPN-OALUTQOASA-N 2 1 380.621 3.505 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000517740590 852329294 /nfs/dbraw/zinc/32/92/94/852329294.db2.gz WRTOHNKTTINEAK-SLFFLAALSA-N 2 1 380.621 3.506 20 0 GHADMP CCSCc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000438375748 852338849 /nfs/dbraw/zinc/33/88/49/852338849.db2.gz RGNCNWVAUAMOJQ-FQEVSTJZSA-N 2 1 392.613 3.820 20 0 GHADMP C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489569364 852465394 /nfs/dbraw/zinc/46/53/94/852465394.db2.gz ULKXIJBRPADCPC-HXUWFJFHSA-N 2 1 391.559 3.808 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961487 852551735 /nfs/dbraw/zinc/55/17/35/852551735.db2.gz LYHCHJCAXHQFCF-XAOHYQHJSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000438573504 852573497 /nfs/dbraw/zinc/57/34/97/852573497.db2.gz LHKKKAFNYAVMAM-KDURUIRLSA-N 2 1 395.547 3.652 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000438573504 852573500 /nfs/dbraw/zinc/57/35/00/852573500.db2.gz LHKKKAFNYAVMAM-KDURUIRLSA-N 2 1 395.547 3.652 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000438567083 852585908 /nfs/dbraw/zinc/58/59/08/852585908.db2.gz LCWITIGYPKNLMI-FQEVSTJZSA-N 2 1 383.511 3.781 20 0 GHADMP Cc1cc2c(cc1F)[nH+]c1c(c2N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCCC1 ZINC000664598830 852633863 /nfs/dbraw/zinc/63/38/63/852633863.db2.gz WOOZJYIPXRMKSA-QGZVFWFLSA-N 2 1 383.511 3.597 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)c1ccccc1 ZINC000489903881 852636240 /nfs/dbraw/zinc/63/62/40/852636240.db2.gz HSUCNMKHCHHNTL-NQIIRXRSSA-N 2 1 385.577 3.769 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000489903881 852636243 /nfs/dbraw/zinc/63/62/43/852636243.db2.gz HSUCNMKHCHHNTL-NQIIRXRSSA-N 2 1 385.577 3.769 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000489903881 852636244 /nfs/dbraw/zinc/63/62/44/852636244.db2.gz HSUCNMKHCHHNTL-NQIIRXRSSA-N 2 1 385.577 3.769 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN[C@H](C[NH3+])c3ccc4ccccc4c3)sc2C1 ZINC000414943272 852751367 /nfs/dbraw/zinc/75/13/67/852751367.db2.gz NOZSVJIROOQMJQ-HXUWFJFHSA-N 2 1 380.561 3.852 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000437147722 852796815 /nfs/dbraw/zinc/79/68/15/852796815.db2.gz OBUISPLUTZDRPO-BHIFYINESA-N 2 1 380.536 3.533 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000437147722 852796820 /nfs/dbraw/zinc/79/68/20/852796820.db2.gz OBUISPLUTZDRPO-BHIFYINESA-N 2 1 380.536 3.533 20 0 GHADMP CCCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000516649681 852840257 /nfs/dbraw/zinc/84/02/57/852840257.db2.gz YPLGVJHJHNYVKY-UHFFFAOYSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490249930 852867397 /nfs/dbraw/zinc/86/73/97/852867397.db2.gz QSOYURIWFHXDOB-SJLPKXTDSA-N 2 1 391.357 3.536 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000507415371 852886336 /nfs/dbraw/zinc/88/63/36/852886336.db2.gz WNOKSBRICOTGKK-UXHICEINSA-N 2 1 386.584 3.681 20 0 GHADMP FC(F)(F)CC[NH+]1CCC(NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000507483552 852965021 /nfs/dbraw/zinc/96/50/21/852965021.db2.gz HEVLHOQKBCQZOK-MRXNPFEDSA-N 2 1 375.504 3.891 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000518211950 853076519 /nfs/dbraw/zinc/07/65/19/853076519.db2.gz NZKFLDZZOHKPRV-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP Cc1ccc2cc(C[NH+]3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc2n1 ZINC000516919611 853157057 /nfs/dbraw/zinc/15/70/57/853157057.db2.gz NDKULTFWAOLMRN-BGYRXZFFSA-N 2 1 397.563 3.633 20 0 GHADMP Cc1ccc2cc(C[NH+]3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc2n1 ZINC000516919611 853157063 /nfs/dbraw/zinc/15/70/63/853157063.db2.gz NDKULTFWAOLMRN-BGYRXZFFSA-N 2 1 397.563 3.633 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000437582784 853297640 /nfs/dbraw/zinc/29/76/40/853297640.db2.gz NYASZUMSXVROHR-AUSIDOKSSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000437582784 853297648 /nfs/dbraw/zinc/29/76/48/853297648.db2.gz NYASZUMSXVROHR-AUSIDOKSSA-N 2 1 377.532 3.603 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000517041501 853298470 /nfs/dbraw/zinc/29/84/70/853298470.db2.gz AOPZPPGCJPTAKU-NRFANRHFSA-N 2 1 380.536 3.577 20 0 GHADMP CC[C@@H](C)Oc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000518394369 853299989 /nfs/dbraw/zinc/29/99/89/853299989.db2.gz RSBGAQYUEPKXJJ-GOSISDBHSA-N 2 1 387.568 3.999 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(-c3ccccc3OC)nc2)c1 ZINC000490872349 853319056 /nfs/dbraw/zinc/31/90/56/853319056.db2.gz KRYSZHHFVLZAGZ-UHFFFAOYSA-N 2 1 376.504 3.894 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000518444023 853346702 /nfs/dbraw/zinc/34/67/02/853346702.db2.gz CPUFUHUBLGANJR-RXVVDRJESA-N 2 1 398.551 3.545 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(C)ccc1C ZINC000623864738 862465129 /nfs/dbraw/zinc/46/51/29/862465129.db2.gz XLGMSZIPEWOXFE-QHCPKHFHSA-N 2 1 379.548 3.932 20 0 GHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(Br)c1 ZINC000604774457 862471261 /nfs/dbraw/zinc/47/12/61/862471261.db2.gz WFPPXARNJWAGEY-BBRMVZONSA-N 2 1 384.362 3.732 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414992684 853502615 /nfs/dbraw/zinc/50/26/15/853502615.db2.gz BYLMZERBGYFCRC-FDDCHVKYSA-N 2 1 396.485 3.942 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000414914834 853577920 /nfs/dbraw/zinc/57/79/20/853577920.db2.gz YKUGLPUOFHCOJP-FQEVSTJZSA-N 2 1 377.492 3.876 20 0 GHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNC2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000414998650 853659614 /nfs/dbraw/zinc/65/96/14/853659614.db2.gz IJNMRIVBYUPYIP-APWZRJJASA-N 2 1 387.465 3.525 20 0 GHADMP O=C1C[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988693 853691403 /nfs/dbraw/zinc/69/14/03/853691403.db2.gz MWLNHQCYIGHQFS-INXDJGNKSA-N 2 1 397.538 3.660 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988693 853691409 /nfs/dbraw/zinc/69/14/09/853691409.db2.gz MWLNHQCYIGHQFS-INXDJGNKSA-N 2 1 397.538 3.660 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1ccc(F)cc1 ZINC001167988693 853691418 /nfs/dbraw/zinc/69/14/18/853691418.db2.gz MWLNHQCYIGHQFS-INXDJGNKSA-N 2 1 397.538 3.660 20 0 GHADMP Cc1csc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)n1 ZINC000623885524 862499329 /nfs/dbraw/zinc/49/93/29/862499329.db2.gz AJVPGWRRVMCHSU-QGZVFWFLSA-N 2 1 389.565 3.792 20 0 GHADMP Cc1csc([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n1 ZINC000623885524 862499340 /nfs/dbraw/zinc/49/93/40/862499340.db2.gz AJVPGWRRVMCHSU-QGZVFWFLSA-N 2 1 389.565 3.792 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC[C@@H]21 ZINC001167988985 853803573 /nfs/dbraw/zinc/80/35/73/853803573.db2.gz WGFWRRUHTQXJHZ-BKUVARHGSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@@H]21 ZINC001167988985 853803576 /nfs/dbraw/zinc/80/35/76/853803576.db2.gz WGFWRRUHTQXJHZ-BKUVARHGSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@@H]21 ZINC001167988985 853803580 /nfs/dbraw/zinc/80/35/80/853803580.db2.gz WGFWRRUHTQXJHZ-BKUVARHGSA-N 2 1 389.584 3.723 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000481912779 862510958 /nfs/dbraw/zinc/51/09/58/862510958.db2.gz BMGPNUAMHKJOLT-DEOSSOPVSA-N 2 1 378.564 3.850 20 0 GHADMP c1cnc(N2CCC3(CC2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)nc1 ZINC001167989204 853947419 /nfs/dbraw/zinc/94/74/19/853947419.db2.gz WITXLNBGQYMIOG-CBQGHPETSA-N 2 1 395.595 3.564 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000571685606 853986367 /nfs/dbraw/zinc/98/63/67/853986367.db2.gz KTPPAPAMBHSBLL-LJQANCHMSA-N 2 1 379.548 3.610 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000441330086 854116852 /nfs/dbraw/zinc/11/68/52/854116852.db2.gz LDFXRWDTDNOWIU-HOTGVXAUSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000441330086 854116859 /nfs/dbraw/zinc/11/68/59/854116859.db2.gz LDFXRWDTDNOWIU-HOTGVXAUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000441330086 854116867 /nfs/dbraw/zinc/11/68/67/854116867.db2.gz LDFXRWDTDNOWIU-HOTGVXAUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000441330086 854116875 /nfs/dbraw/zinc/11/68/75/854116875.db2.gz LDFXRWDTDNOWIU-HOTGVXAUSA-N 2 1 375.340 3.539 20 0 GHADMP C(OC[C@]12COC[C@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2)C1CCCC1 ZINC001167991856 854299171 /nfs/dbraw/zinc/29/91/71/854299171.db2.gz FKSGDLKLGDDRRT-HJQSFINYSA-N 2 1 388.596 3.547 20 0 GHADMP C(OC[C@]12COC[C@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2)C1CCCC1 ZINC001167991856 854299179 /nfs/dbraw/zinc/29/91/79/854299179.db2.gz FKSGDLKLGDDRRT-HJQSFINYSA-N 2 1 388.596 3.547 20 0 GHADMP C(OC[C@]12COC[C@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2)C1CCCC1 ZINC001167991856 854299185 /nfs/dbraw/zinc/29/91/85/854299185.db2.gz FKSGDLKLGDDRRT-HJQSFINYSA-N 2 1 388.596 3.547 20 0 GHADMP Cc1ccc(O[C@H]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)CC[N@H+]3C2)cc1 ZINC001167993778 854393505 /nfs/dbraw/zinc/39/35/05/854393505.db2.gz SEBYZQXLLOYTEN-NXEBKLTBSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc(O[C@H]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)CC[NH+]3C2)cc1 ZINC001167993778 854393511 /nfs/dbraw/zinc/39/35/11/854393511.db2.gz SEBYZQXLLOYTEN-NXEBKLTBSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc(O[C@H]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC[NH+]3C2)cc1 ZINC001167993778 854393515 /nfs/dbraw/zinc/39/35/15/854393515.db2.gz SEBYZQXLLOYTEN-NXEBKLTBSA-N 2 1 395.591 3.538 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994314 854436738 /nfs/dbraw/zinc/43/67/38/854436738.db2.gz BNMQJNUKVILPEZ-ARMVQHAZSA-N 2 1 381.564 3.515 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994314 854436743 /nfs/dbraw/zinc/43/67/43/854436743.db2.gz BNMQJNUKVILPEZ-ARMVQHAZSA-N 2 1 381.564 3.515 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994314 854436747 /nfs/dbraw/zinc/43/67/47/854436747.db2.gz BNMQJNUKVILPEZ-ARMVQHAZSA-N 2 1 381.564 3.515 20 0 GHADMP CC[C@@H](C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000572296822 854456235 /nfs/dbraw/zinc/45/62/35/854456235.db2.gz VFMUTMALCPYIOR-NRFANRHFSA-N 2 1 380.536 3.517 20 0 GHADMP CC[C@@H](C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000572296822 854456239 /nfs/dbraw/zinc/45/62/39/854456239.db2.gz VFMUTMALCPYIOR-NRFANRHFSA-N 2 1 380.536 3.517 20 0 GHADMP c1ccc(C[NH+]2CC3(C2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001167995281 854458953 /nfs/dbraw/zinc/45/89/53/854458953.db2.gz ZAWCOUFLQRBHKM-VSGJHWFKSA-N 3 1 379.592 3.990 20 0 GHADMP c1ccc(C[NH+]2CC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CC3)cc1 ZINC001167995281 854458957 /nfs/dbraw/zinc/45/89/57/854458957.db2.gz ZAWCOUFLQRBHKM-VSGJHWFKSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[NH+]2CC3(C2)CCN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001167995281 854458962 /nfs/dbraw/zinc/45/89/62/854458962.db2.gz ZAWCOUFLQRBHKM-VSGJHWFKSA-N 2 1 379.592 3.990 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624052936 862615817 /nfs/dbraw/zinc/61/58/17/862615817.db2.gz UIANUFQYEMANAR-BJWYYQGGSA-N 2 1 378.442 3.724 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624052936 862615824 /nfs/dbraw/zinc/61/58/24/862615824.db2.gz UIANUFQYEMANAR-BJWYYQGGSA-N 2 1 378.442 3.724 20 0 GHADMP C[N@H+](CCC(=O)N1CCc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189110473 855021603 /nfs/dbraw/zinc/02/16/03/855021603.db2.gz DKPYJIJVWCSLPN-UHFFFAOYSA-N 2 1 391.559 3.558 20 0 GHADMP C[N@@H+](CCC(=O)N1CCc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000189110473 855021614 /nfs/dbraw/zinc/02/16/14/855021614.db2.gz DKPYJIJVWCSLPN-UHFFFAOYSA-N 2 1 391.559 3.558 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000589764677 855131377 /nfs/dbraw/zinc/13/13/77/855131377.db2.gz HGVVCXFYVLZJHE-ZCNNSNEGSA-N 2 1 388.600 3.646 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001168395106 855159137 /nfs/dbraw/zinc/15/91/37/855159137.db2.gz LRNPLRZFIGGCIT-CTXDPNEZSA-N 2 1 377.573 3.629 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000590011797 855226811 /nfs/dbraw/zinc/22/68/11/855226811.db2.gz KTRFSAFRXLBKEL-QHCPKHFHSA-N 2 1 382.548 3.579 20 0 GHADMP C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120823 862668841 /nfs/dbraw/zinc/66/88/41/862668841.db2.gz HPFZYMJGVCPYKX-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120823 862668847 /nfs/dbraw/zinc/66/88/47/862668847.db2.gz HPFZYMJGVCPYKX-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120823 862668856 /nfs/dbraw/zinc/66/88/56/862668856.db2.gz HPFZYMJGVCPYKX-QZTJIDSGSA-N 2 1 378.582 3.785 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921689330 855379181 /nfs/dbraw/zinc/37/91/81/855379181.db2.gz FNYHRMXYQUWQPQ-KRWDZBQOSA-N 2 1 385.531 3.740 20 0 GHADMP C[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001853 855530604 /nfs/dbraw/zinc/53/06/04/855530604.db2.gz JMQZNJXJGLZRJM-COHPWVSRSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001853 855530609 /nfs/dbraw/zinc/53/06/09/855530609.db2.gz JMQZNJXJGLZRJM-COHPWVSRSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001853 855530613 /nfs/dbraw/zinc/53/06/13/855530613.db2.gz JMQZNJXJGLZRJM-COHPWVSRSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000056524715 855562980 /nfs/dbraw/zinc/56/29/80/855562980.db2.gz CAZRBCCUUJGLMS-JOCHJYFZSA-N 2 1 385.577 3.617 20 0 GHADMP CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000591191432 855822631 /nfs/dbraw/zinc/82/26/31/855822631.db2.gz GQFDPNVRGOEPSX-QHCPKHFHSA-N 2 1 385.596 3.868 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000108412455 855868535 /nfs/dbraw/zinc/86/85/35/855868535.db2.gz IRBQUOBXRYFPOT-QFIPXVFZSA-N 2 1 386.584 3.587 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000108504952 855915075 /nfs/dbraw/zinc/91/50/75/855915075.db2.gz SSCYXBLUTRWXKY-FQEVSTJZSA-N 2 1 381.524 3.661 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000108504952 855915078 /nfs/dbraw/zinc/91/50/78/855915078.db2.gz SSCYXBLUTRWXKY-FQEVSTJZSA-N 2 1 381.524 3.661 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000591429549 855974763 /nfs/dbraw/zinc/97/47/63/855974763.db2.gz VBTTXYWNKXWLTL-AUSIDOKSSA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)c1ccccc1 ZINC000591446723 855991854 /nfs/dbraw/zinc/99/18/54/855991854.db2.gz VOWQLCDJNVXIMP-QFIPXVFZSA-N 2 1 376.504 3.880 20 0 GHADMP CC(C)[C@]1(CO)CCC[N@@H+](CCCCC[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000550433594 856086504 /nfs/dbraw/zinc/08/65/04/856086504.db2.gz MLQFXPREBBEBPJ-ZRZAMGCNSA-N 2 1 382.633 3.618 20 0 GHADMP CC(C)[C@]1(CO)CCC[NH+](CCCCC[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000550433594 856086512 /nfs/dbraw/zinc/08/65/12/856086512.db2.gz MLQFXPREBBEBPJ-ZRZAMGCNSA-N 2 1 382.633 3.618 20 0 GHADMP CC(C)[C@]1(CO)CCC[NH+](CCCCC[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000550433594 856086519 /nfs/dbraw/zinc/08/65/19/856086519.db2.gz MLQFXPREBBEBPJ-ZRZAMGCNSA-N 2 1 382.633 3.618 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485301668 856330739 /nfs/dbraw/zinc/33/07/39/856330739.db2.gz CTACQXLYXKPNMK-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485405411 856463360 /nfs/dbraw/zinc/46/33/60/856463360.db2.gz QUFFBJZLUVJBSM-LQBOVUBWSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485405411 856463363 /nfs/dbraw/zinc/46/33/63/856463363.db2.gz QUFFBJZLUVJBSM-LQBOVUBWSA-N 2 1 397.950 3.946 20 0 GHADMP COc1ccc([C@@H]2C[C@@H](N(c3cccc(C)[nH+]3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168675010 856550388 /nfs/dbraw/zinc/55/03/88/856550388.db2.gz JMRYHBIOELJWMJ-UNMCSNQZSA-N 2 1 381.520 3.877 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2c(=O)[nH]c3ccccc32)cc1 ZINC000542885251 856648483 /nfs/dbraw/zinc/64/84/83/856648483.db2.gz YEFGLQGYXABZQV-INIZCTEOSA-N 2 1 375.476 3.977 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000542885206 856651991 /nfs/dbraw/zinc/65/19/91/856651991.db2.gz UZSVPVREKIRADZ-YWZLYKJASA-N 2 1 385.895 3.925 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000674694410 856711212 /nfs/dbraw/zinc/71/12/12/856711212.db2.gz UBBOMFRTQSWDHB-IRLDBZIGSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000507951541 856736836 /nfs/dbraw/zinc/73/68/36/856736836.db2.gz CYOHEIDNCAQGTL-AXVVYFOYSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000507951541 856736846 /nfs/dbraw/zinc/73/68/46/856736846.db2.gz CYOHEIDNCAQGTL-AXVVYFOYSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000045779888 856765247 /nfs/dbraw/zinc/76/52/47/856765247.db2.gz AOYAREFKSGRWKH-FQEVSTJZSA-N 2 1 398.595 3.831 20 0 GHADMP CCC[N@H+](Cc1ccc(OCC)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000674866012 856871732 /nfs/dbraw/zinc/87/17/32/856871732.db2.gz YOZYKJRJTMHSMT-UHFFFAOYSA-N 2 1 383.540 3.768 20 0 GHADMP CCC[N@@H+](Cc1ccc(OCC)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000674866012 856871744 /nfs/dbraw/zinc/87/17/44/856871744.db2.gz YOZYKJRJTMHSMT-UHFFFAOYSA-N 2 1 383.540 3.768 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000542948148 857066498 /nfs/dbraw/zinc/06/64/98/857066498.db2.gz OBWUIVDBNQJLHO-UHFFFAOYSA-N 2 1 386.005 3.852 20 0 GHADMP Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000485815195 857115518 /nfs/dbraw/zinc/11/55/18/857115518.db2.gz QWYUBJMJHHUXHU-UHFFFAOYSA-N 2 1 391.357 3.644 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000429243878 857133697 /nfs/dbraw/zinc/13/36/97/857133697.db2.gz HWLSZNWEYDWMIZ-UHFFFAOYSA-N 2 1 382.961 3.531 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000429243878 857133701 /nfs/dbraw/zinc/13/37/01/857133701.db2.gz HWLSZNWEYDWMIZ-UHFFFAOYSA-N 2 1 382.961 3.531 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCc2sccc2C1 ZINC000592983777 857174238 /nfs/dbraw/zinc/17/42/38/857174238.db2.gz QNMAIUKGRNLSDY-SFHVURJKSA-N 2 1 397.588 3.666 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1F ZINC000665259447 857215857 /nfs/dbraw/zinc/21/58/57/857215857.db2.gz GJYXZZZBAUPPIN-CJFIXGCPSA-N 2 1 383.511 3.991 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)c2ccccc2)CC1 ZINC000057792155 857234839 /nfs/dbraw/zinc/23/48/39/857234839.db2.gz WMYRESLCYQCXAA-NHCUHLMSSA-N 2 1 398.551 3.655 20 0 GHADMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246150737 857255071 /nfs/dbraw/zinc/25/50/71/857255071.db2.gz FVKVTZPVVUCJGD-REWPJTCUSA-N 2 1 380.532 3.511 20 0 GHADMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246150737 857255075 /nfs/dbraw/zinc/25/50/75/857255075.db2.gz FVKVTZPVVUCJGD-REWPJTCUSA-N 2 1 380.532 3.511 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012216 857371176 /nfs/dbraw/zinc/37/11/76/857371176.db2.gz YCHOXMZGSXDHBU-KZTDQWPFSA-N 2 1 382.548 3.595 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000061071235 857497184 /nfs/dbraw/zinc/49/71/84/857497184.db2.gz IDBQGJJSEFELBQ-WIYYLYMNSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000061071235 857497198 /nfs/dbraw/zinc/49/71/98/857497198.db2.gz IDBQGJJSEFELBQ-WIYYLYMNSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000521011672 857513297 /nfs/dbraw/zinc/51/32/97/857513297.db2.gz WHGYJSDAGVSQBZ-CVDCTZTESA-N 2 1 377.532 3.956 20 0 GHADMP CC1CC[NH+](CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000061867729 857546668 /nfs/dbraw/zinc/54/66/68/857546668.db2.gz LQBHZICWIXFQCP-HXUWFJFHSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H](C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000521056402 857550374 /nfs/dbraw/zinc/55/03/74/857550374.db2.gz FEWULRKXWJRCMF-RBUKOAKNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1CCc2ccccc2C1 ZINC000521056402 857550387 /nfs/dbraw/zinc/55/03/87/857550387.db2.gz FEWULRKXWJRCMF-RBUKOAKNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCc2ccccc2C1 ZINC000521056402 857550396 /nfs/dbraw/zinc/55/03/96/857550396.db2.gz FEWULRKXWJRCMF-RBUKOAKNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCc2ccccc2C1 ZINC000521056402 857550401 /nfs/dbraw/zinc/55/04/01/857550401.db2.gz FEWULRKXWJRCMF-RBUKOAKNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000675786986 857613324 /nfs/dbraw/zinc/61/33/24/857613324.db2.gz PEGHMNNOBWSPRI-TZIWHRDSSA-N 2 1 375.520 3.830 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063657459 857639935 /nfs/dbraw/zinc/63/99/35/857639935.db2.gz GIMRFUIQZHLWOS-QHCPKHFHSA-N 2 1 377.532 3.928 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065518709 857646382 /nfs/dbraw/zinc/64/63/82/857646382.db2.gz UERXYZHXAKAZTG-OAQYLSRUSA-N 2 1 386.584 3.510 20 0 GHADMP COc1cc(NCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc(OC)c1 ZINC000181603579 862936026 /nfs/dbraw/zinc/93/60/26/862936026.db2.gz LGHHCGFUBIHZLK-MRXNPFEDSA-N 2 1 380.492 3.961 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000675882878 857660161 /nfs/dbraw/zinc/66/01/61/857660161.db2.gz UKYYSWXGLZUHMW-YOEHRIQHSA-N 2 1 397.357 3.752 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OCC)cc32)[C@@H](C)C1 ZINC000675885258 857661263 /nfs/dbraw/zinc/66/12/63/857661263.db2.gz NEAUCYIHKHAVLR-YYWHXJBOSA-N 2 1 376.541 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OCC)cc32)[C@@H](C)C1 ZINC000675885258 857661265 /nfs/dbraw/zinc/66/12/65/857661265.db2.gz NEAUCYIHKHAVLR-YYWHXJBOSA-N 2 1 376.541 3.636 20 0 GHADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593729409 857669418 /nfs/dbraw/zinc/66/94/18/857669418.db2.gz DADWXTIBRDCQQU-ZTFGCOKTSA-N 2 1 388.533 3.549 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000064237193 857687482 /nfs/dbraw/zinc/68/74/82/857687482.db2.gz VVHCCAFUAXKAGV-SJBKTWHCSA-N 2 1 386.584 3.552 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000521163394 857692457 /nfs/dbraw/zinc/69/24/57/857692457.db2.gz NLDVSDYPPRRQFY-DLBZAZTESA-N 2 1 380.602 3.551 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c2cccs2)CC1 ZINC000066041968 857898217 /nfs/dbraw/zinc/89/82/17/857898217.db2.gz IVXZDBGBTYQBQA-TZIWHRDSSA-N 2 1 385.577 3.940 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000594076710 857921272 /nfs/dbraw/zinc/92/12/72/857921272.db2.gz BDAPPKLYPGKHCC-BGYRXZFFSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000669524986 858026605 /nfs/dbraw/zinc/02/66/05/858026605.db2.gz ZULMYFURKWWZPB-IOMROCGXSA-N 2 1 395.551 3.663 20 0 GHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(Br)c1 ZINC000181733312 862990669 /nfs/dbraw/zinc/99/06/69/862990669.db2.gz HOWKBLDBJLJHPO-MSOLQXFVSA-N 2 1 387.337 3.866 20 0 GHADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000574692970 858164667 /nfs/dbraw/zinc/16/46/67/858164667.db2.gz HFSQMRSVECEHHE-SIKLNZKXSA-N 2 1 392.547 3.578 20 0 GHADMP COc1ccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccc(F)cc2)cc1 ZINC000442875605 858191614 /nfs/dbraw/zinc/19/16/14/858191614.db2.gz PFZJWBBMUMSQIA-QFIPXVFZSA-N 2 1 385.527 3.539 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000428262066 858196076 /nfs/dbraw/zinc/19/60/76/858196076.db2.gz WFPMIKZSDZPQLK-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000187020135 863002561 /nfs/dbraw/zinc/00/25/61/863002561.db2.gz VGKWHHVQXFEUNX-MSYCTHLASA-N 2 1 397.563 3.893 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3ccccc3c2)[C@H](C)C1 ZINC000187020135 863002578 /nfs/dbraw/zinc/00/25/78/863002578.db2.gz VGKWHHVQXFEUNX-MSYCTHLASA-N 2 1 397.563 3.893 20 0 GHADMP C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000673132189 858263796 /nfs/dbraw/zinc/26/37/96/858263796.db2.gz VLYKOQRRSVZTLF-VJBMBRPKSA-N 2 1 394.563 3.594 20 0 GHADMP COc1ccc(OCc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000574989608 858485284 /nfs/dbraw/zinc/48/52/84/858485284.db2.gz ZHKCZEUJDKORGG-IAGOWNOFSA-N 2 1 387.549 3.552 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)CC[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000575064630 858509449 /nfs/dbraw/zinc/50/94/49/858509449.db2.gz HBMKZASRRDDRDZ-IEBWSBKVSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CC[NH+]3CCCC[C@H]3C)C2)s1 ZINC000575064630 858509453 /nfs/dbraw/zinc/50/94/53/858509453.db2.gz HBMKZASRRDDRDZ-IEBWSBKVSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CC[NH+]3CCCC[C@H]3C)C2)s1 ZINC000575064630 858509456 /nfs/dbraw/zinc/50/94/56/858509456.db2.gz HBMKZASRRDDRDZ-IEBWSBKVSA-N 2 1 377.598 3.601 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000079393940 858511871 /nfs/dbraw/zinc/51/18/71/858511871.db2.gz CVQIWHIXYRSOQY-OAQYLSRUSA-N 2 1 392.632 3.796 20 0 GHADMP CCn1ccnc1C[N@H+](CCOc1cc(C)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000522001544 858527535 /nfs/dbraw/zinc/52/75/35/858527535.db2.gz WXYCHRKZJSXMTQ-NRFANRHFSA-N 2 1 382.552 3.543 20 0 GHADMP CCn1ccnc1C[N@@H+](CCOc1cc(C)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000522001544 858527537 /nfs/dbraw/zinc/52/75/37/858527537.db2.gz WXYCHRKZJSXMTQ-NRFANRHFSA-N 2 1 382.552 3.543 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443303324 858548850 /nfs/dbraw/zinc/54/88/50/858548850.db2.gz RJDDYFVFLPBJIV-PXDATVDWSA-N 2 1 395.591 3.812 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000543185021 858775048 /nfs/dbraw/zinc/77/50/48/858775048.db2.gz HYYQQGNBJNKWKU-UHFFFAOYSA-N 2 1 378.516 3.961 20 0 GHADMP COc1cccc(C[C@@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168020739 858852587 /nfs/dbraw/zinc/85/25/87/858852587.db2.gz NKETWLSGBHGYIQ-YDLSIGKMSA-N 2 1 382.548 3.630 20 0 GHADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C)c1F ZINC000482817754 858888917 /nfs/dbraw/zinc/88/89/17/858888917.db2.gz GULJRDAIORZCSU-GHTZIAJQSA-N 2 1 397.538 3.991 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000482885657 858941408 /nfs/dbraw/zinc/94/14/08/858941408.db2.gz HUBUHPOKIKTYAX-SFHVURJKSA-N 2 1 386.367 3.977 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552642 881379394 /nfs/dbraw/zinc/37/93/94/881379394.db2.gz ODNMPBGIPBVONA-FDDCHVKYSA-N 2 1 383.536 3.799 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552642 881379417 /nfs/dbraw/zinc/37/94/17/881379417.db2.gz ODNMPBGIPBVONA-FDDCHVKYSA-N 2 1 383.536 3.799 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552642 881379438 /nfs/dbraw/zinc/37/94/38/881379438.db2.gz ODNMPBGIPBVONA-FDDCHVKYSA-N 2 1 383.536 3.799 20 0 GHADMP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000483060736 859119550 /nfs/dbraw/zinc/11/95/50/859119550.db2.gz XEZBOAKNAVDEDQ-YADARESESA-N 2 1 377.532 3.592 20 0 GHADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000483060736 859119553 /nfs/dbraw/zinc/11/95/53/859119553.db2.gz XEZBOAKNAVDEDQ-YADARESESA-N 2 1 377.532 3.592 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185747440 859125097 /nfs/dbraw/zinc/12/50/97/859125097.db2.gz UJEPUHBBCSXACN-UYLMIGBBSA-N 2 1 386.580 3.684 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000711504834 859160837 /nfs/dbraw/zinc/16/08/37/859160837.db2.gz KNPFSHSTEPNQIX-PBASOCQRSA-N 2 1 387.568 3.790 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000191483702 859178329 /nfs/dbraw/zinc/17/83/29/859178329.db2.gz IKLGXGICJGLFJU-INIZCTEOSA-N 2 1 376.932 3.688 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000191483702 859178335 /nfs/dbraw/zinc/17/83/35/859178335.db2.gz IKLGXGICJGLFJU-INIZCTEOSA-N 2 1 376.932 3.688 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000191494852 859190919 /nfs/dbraw/zinc/19/09/19/859190919.db2.gz MVCBDJMRVWCXCD-AWEZNQCLSA-N 2 1 380.895 3.977 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000191494852 859190921 /nfs/dbraw/zinc/19/09/21/859190921.db2.gz MVCBDJMRVWCXCD-AWEZNQCLSA-N 2 1 380.895 3.977 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000483195503 859205456 /nfs/dbraw/zinc/20/54/56/859205456.db2.gz BBHKXASTPNDOAB-OAHLLOKOSA-N 2 1 385.430 3.779 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000483195503 859205467 /nfs/dbraw/zinc/20/54/67/859205467.db2.gz BBHKXASTPNDOAB-OAHLLOKOSA-N 2 1 385.430 3.779 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000483190161 859216373 /nfs/dbraw/zinc/21/63/73/859216373.db2.gz APOJLZASZYJUKJ-UHFFFAOYSA-N 2 1 390.503 3.507 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000483298776 859279338 /nfs/dbraw/zinc/27/93/38/859279338.db2.gz WDHXEIMZVMLSTK-JXFKEZNVSA-N 2 1 389.490 3.683 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000483298776 859279352 /nfs/dbraw/zinc/27/93/52/859279352.db2.gz WDHXEIMZVMLSTK-JXFKEZNVSA-N 2 1 389.490 3.683 20 0 GHADMP CN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601476940 859288462 /nfs/dbraw/zinc/28/84/62/859288462.db2.gz CZQKDEKEGYYJBE-NRFANRHFSA-N 2 1 395.547 3.506 20 0 GHADMP CN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601476940 859288471 /nfs/dbraw/zinc/28/84/71/859288471.db2.gz CZQKDEKEGYYJBE-NRFANRHFSA-N 2 1 395.547 3.506 20 0 GHADMP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000194837960 859320119 /nfs/dbraw/zinc/32/01/19/859320119.db2.gz DRWSMGLDXPHDBI-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1)C(C)C ZINC000483374443 859322387 /nfs/dbraw/zinc/32/23/87/859322387.db2.gz AHUUMXIICYSMIH-SFTDATJTSA-N 2 1 389.609 3.569 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765980052 859385504 /nfs/dbraw/zinc/38/55/04/859385504.db2.gz YZDDDUYFLPPWDA-DNVCBOLYSA-N 2 1 397.332 3.809 20 0 GHADMP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCCC(C)C ZINC000535805152 859394876 /nfs/dbraw/zinc/39/48/76/859394876.db2.gz LEAQNCGCUAQDLL-JAXLGGSGSA-N 2 1 390.568 3.804 20 0 GHADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCCC(C)C ZINC000535805152 859394881 /nfs/dbraw/zinc/39/48/81/859394881.db2.gz LEAQNCGCUAQDLL-JAXLGGSGSA-N 2 1 390.568 3.804 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494271150 881424694 /nfs/dbraw/zinc/42/46/94/881424694.db2.gz NTHDTOXEHQCQMJ-OAHLLOKOSA-N 2 1 391.466 3.589 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494271150 881424700 /nfs/dbraw/zinc/42/47/00/881424700.db2.gz NTHDTOXEHQCQMJ-OAHLLOKOSA-N 2 1 391.466 3.589 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558552 881423993 /nfs/dbraw/zinc/42/39/93/881423993.db2.gz JMKLUAQQSKAQRO-UGKGYDQZSA-N 2 1 395.547 3.941 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558552 881424033 /nfs/dbraw/zinc/42/40/33/881424033.db2.gz JMKLUAQQSKAQRO-UGKGYDQZSA-N 2 1 395.547 3.941 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)ccn1 ZINC000856558552 881424044 /nfs/dbraw/zinc/42/40/44/881424044.db2.gz JMKLUAQQSKAQRO-UGKGYDQZSA-N 2 1 395.547 3.941 20 0 GHADMP C[C@@H](CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543379241 859472608 /nfs/dbraw/zinc/47/26/08/859472608.db2.gz HKZNKMFOSOMODM-LEWJYISDSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000114179383 859476203 /nfs/dbraw/zinc/47/62/03/859476203.db2.gz XFODPTSVEGOKIK-UHFFFAOYSA-N 2 1 382.552 3.945 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C[C@H]1C ZINC000483805005 859634493 /nfs/dbraw/zinc/63/44/93/859634493.db2.gz KZOWSXXZIGYZMU-DOADOZAASA-N 2 1 392.613 3.645 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@H]1C ZINC000483805005 859634496 /nfs/dbraw/zinc/63/44/96/859634496.db2.gz KZOWSXXZIGYZMU-DOADOZAASA-N 2 1 392.613 3.645 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C[C@H]1C ZINC000483805005 859634500 /nfs/dbraw/zinc/63/45/00/859634500.db2.gz KZOWSXXZIGYZMU-DOADOZAASA-N 2 1 392.613 3.645 20 0 GHADMP CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000466468845 859644338 /nfs/dbraw/zinc/64/43/38/859644338.db2.gz LPSOMJSCULZPSZ-GOSISDBHSA-N 2 1 375.582 3.686 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764925019 859683945 /nfs/dbraw/zinc/68/39/45/859683945.db2.gz AMEAFMSPFUGTEB-OFVILXPXSA-N 2 1 395.591 3.906 20 0 GHADMP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000484087079 859811169 /nfs/dbraw/zinc/81/11/69/859811169.db2.gz PNYCMGISKMJQJJ-QHCPKHFHSA-N 2 1 389.543 3.928 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)cc3F)C2)ccn1 ZINC000856562093 881471035 /nfs/dbraw/zinc/47/10/35/881471035.db2.gz VMRJOBWBIYMQDA-FQEVSTJZSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)cc3F)C2)ccn1 ZINC000856562093 881471047 /nfs/dbraw/zinc/47/10/47/881471047.db2.gz VMRJOBWBIYMQDA-FQEVSTJZSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)ccn1 ZINC000856562093 881471400 /nfs/dbraw/zinc/47/14/00/881471400.db2.gz VMRJOBWBIYMQDA-FQEVSTJZSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)ccn1 ZINC000856562093 881471407 /nfs/dbraw/zinc/47/14/07/881471407.db2.gz VMRJOBWBIYMQDA-FQEVSTJZSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)cc3F)C2)ccn1 ZINC000856562095 881471924 /nfs/dbraw/zinc/47/19/24/881471924.db2.gz VMRJOBWBIYMQDA-HXUWFJFHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)cc3F)C2)ccn1 ZINC000856562095 881471931 /nfs/dbraw/zinc/47/19/31/881471931.db2.gz VMRJOBWBIYMQDA-HXUWFJFHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)cc3F)C2)ccn1 ZINC000856562095 881471936 /nfs/dbraw/zinc/47/19/36/881471936.db2.gz VMRJOBWBIYMQDA-HXUWFJFHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)cc3F)C2)ccn1 ZINC000856562095 881471941 /nfs/dbraw/zinc/47/19/41/881471941.db2.gz VMRJOBWBIYMQDA-HXUWFJFHSA-N 2 1 375.463 3.853 20 0 GHADMP COc1cc(F)c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000484289237 859926690 /nfs/dbraw/zinc/92/66/90/859926690.db2.gz BUIMVKANHSYYRV-AWEZNQCLSA-N 2 1 388.487 3.569 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)c1 ZINC000602534646 860103548 /nfs/dbraw/zinc/10/35/48/860103548.db2.gz KZUFFQURAYXYLF-UHFFFAOYSA-N 2 1 386.540 3.505 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)c1 ZINC000602534646 860103553 /nfs/dbraw/zinc/10/35/53/860103553.db2.gz KZUFFQURAYXYLF-UHFFFAOYSA-N 2 1 386.540 3.505 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cs2)cc1 ZINC000602877434 860332635 /nfs/dbraw/zinc/33/26/35/860332635.db2.gz NLQMVZCBGHIVBT-UHFFFAOYSA-N 2 1 385.533 3.514 20 0 GHADMP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000519491386 860348276 /nfs/dbraw/zinc/34/82/76/860348276.db2.gz QLFCJPGTECNGRH-QFIPXVFZSA-N 2 1 392.547 3.519 20 0 GHADMP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(N2CCCC2)[nH+]1 ZINC000519491386 860348286 /nfs/dbraw/zinc/34/82/86/860348286.db2.gz QLFCJPGTECNGRH-QFIPXVFZSA-N 2 1 392.547 3.519 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037506 860422176 /nfs/dbraw/zinc/42/21/76/860422176.db2.gz ZAWZANKYFGXVNT-RUMRUAAYSA-N 3 1 399.623 3.909 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168037506 860422186 /nfs/dbraw/zinc/42/21/86/860422186.db2.gz ZAWZANKYFGXVNT-RUMRUAAYSA-N 2 1 399.623 3.909 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC000598639533 860468216 /nfs/dbraw/zinc/46/82/16/860468216.db2.gz TWNITSFHOKLCDC-AZUAARDMSA-N 2 1 395.547 3.611 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000904602849 860529253 /nfs/dbraw/zinc/52/92/53/860529253.db2.gz VZJOMPUBOAWGQM-NRFANRHFSA-N 2 1 380.536 3.661 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000904649683 860544366 /nfs/dbraw/zinc/54/43/66/860544366.db2.gz SALDVDSLCVDUCH-RZUBCFFCSA-N 2 1 378.520 3.568 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4ccccc4s3)C2)ccn1 ZINC000856584064 881553469 /nfs/dbraw/zinc/55/34/69/881553469.db2.gz CXKMVZHPOUUGBY-SFHVURJKSA-N 2 1 382.533 3.796 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4ccccc4s3)C2)ccn1 ZINC000856584064 881553497 /nfs/dbraw/zinc/55/34/97/881553497.db2.gz CXKMVZHPOUUGBY-SFHVURJKSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc4ccccc4s3)C2)ccn1 ZINC000856584064 881553507 /nfs/dbraw/zinc/55/35/07/881553507.db2.gz CXKMVZHPOUUGBY-SFHVURJKSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc4ccccc4s3)C2)ccn1 ZINC000856584064 881553526 /nfs/dbraw/zinc/55/35/26/881553526.db2.gz CXKMVZHPOUUGBY-SFHVURJKSA-N 2 1 382.533 3.796 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856584152 881554636 /nfs/dbraw/zinc/55/46/36/881554636.db2.gz ZCKFNJKZNGTCJM-GOSISDBHSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856584152 881554646 /nfs/dbraw/zinc/55/46/46/881554646.db2.gz ZCKFNJKZNGTCJM-GOSISDBHSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856584152 881554658 /nfs/dbraw/zinc/55/46/58/881554658.db2.gz ZCKFNJKZNGTCJM-GOSISDBHSA-N 2 1 375.463 3.507 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856584153 881555515 /nfs/dbraw/zinc/55/55/15/881555515.db2.gz ZCKFNJKZNGTCJM-SFHVURJKSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856584153 881555523 /nfs/dbraw/zinc/55/55/23/881555523.db2.gz ZCKFNJKZNGTCJM-SFHVURJKSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856584153 881555532 /nfs/dbraw/zinc/55/55/32/881555532.db2.gz ZCKFNJKZNGTCJM-SFHVURJKSA-N 2 1 375.463 3.507 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585449 881557744 /nfs/dbraw/zinc/55/77/44/881557744.db2.gz FQYZRRWTKGTQBM-CYFREDJKSA-N 2 1 379.548 3.792 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585449 881557758 /nfs/dbraw/zinc/55/77/58/881557758.db2.gz FQYZRRWTKGTQBM-CYFREDJKSA-N 2 1 379.548 3.792 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCc4ccccc4C3)C2)ccn1 ZINC000856585449 881557766 /nfs/dbraw/zinc/55/77/66/881557766.db2.gz FQYZRRWTKGTQBM-CYFREDJKSA-N 2 1 379.548 3.792 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCOc3ccc(F)cc3)C2)ccn1 ZINC000856592760 881567460 /nfs/dbraw/zinc/56/74/60/881567460.db2.gz JUTBZAUWAJRIOM-JOCHJYFZSA-N 2 1 387.499 3.595 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCOc3ccc(F)cc3)C2)ccn1 ZINC000856592760 881567471 /nfs/dbraw/zinc/56/74/71/881567471.db2.gz JUTBZAUWAJRIOM-JOCHJYFZSA-N 2 1 387.499 3.595 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCOc3ccc(F)cc3)C2)ccn1 ZINC000856592760 881567487 /nfs/dbraw/zinc/56/74/87/881567487.db2.gz JUTBZAUWAJRIOM-JOCHJYFZSA-N 2 1 387.499 3.595 20 0 GHADMP Cc1ccc(OCC[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856600169 881574347 /nfs/dbraw/zinc/57/43/47/881574347.db2.gz WYPADJSDFOBTRG-HSZRJFAPSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccc(OCC[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856600169 881574366 /nfs/dbraw/zinc/57/43/66/881574366.db2.gz WYPADJSDFOBTRG-HSZRJFAPSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccc(OCC[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856600169 881574384 /nfs/dbraw/zinc/57/43/84/881574384.db2.gz WYPADJSDFOBTRG-HSZRJFAPSA-N 2 1 383.536 3.762 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000474821558 860816074 /nfs/dbraw/zinc/81/60/74/860816074.db2.gz LTQVPOUJKMYAOY-OQZHBAMCSA-N 2 1 382.548 3.660 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000474821558 860816078 /nfs/dbraw/zinc/81/60/78/860816078.db2.gz LTQVPOUJKMYAOY-OQZHBAMCSA-N 2 1 382.548 3.660 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOCc3ccccc3)C2)ccn1 ZINC000856607074 881584502 /nfs/dbraw/zinc/58/45/02/881584502.db2.gz VAKOUYRIQMJQPG-QHCPKHFHSA-N 2 1 383.536 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOCc3ccccc3)C2)ccn1 ZINC000856607074 881584519 /nfs/dbraw/zinc/58/45/19/881584519.db2.gz VAKOUYRIQMJQPG-QHCPKHFHSA-N 2 1 383.536 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOCc3ccccc3)C2)ccn1 ZINC000856607074 881584531 /nfs/dbraw/zinc/58/45/31/881584531.db2.gz VAKOUYRIQMJQPG-QHCPKHFHSA-N 2 1 383.536 3.592 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3CO)CC2)C1 ZINC000532232692 881584695 /nfs/dbraw/zinc/58/46/95/881584695.db2.gz YCMLPXGOMGEUCL-KAKDDGLXSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CN(Cc4ccccc4)CC[C@@H]3CO)CC2)C1 ZINC000532232692 881584704 /nfs/dbraw/zinc/58/47/04/881584704.db2.gz YCMLPXGOMGEUCL-KAKDDGLXSA-N 2 1 399.623 3.502 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1(C)C ZINC000623394753 860994464 /nfs/dbraw/zinc/99/44/64/860994464.db2.gz QQLCAZYGPOZUJG-SFHVURJKSA-N 2 1 395.385 3.960 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000481315446 861051940 /nfs/dbraw/zinc/05/19/40/861051940.db2.gz WNGPIYZMNKBJAO-RDPSFJRHSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000481315446 861051950 /nfs/dbraw/zinc/05/19/50/861051950.db2.gz WNGPIYZMNKBJAO-RDPSFJRHSA-N 2 1 378.564 3.546 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000481328977 861077463 /nfs/dbraw/zinc/07/74/63/861077463.db2.gz WFEZYCDKAJHBEH-MOPGFXCFSA-N 2 1 378.520 3.906 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000600142497 861116233 /nfs/dbraw/zinc/11/62/33/861116233.db2.gz OXPWFLYGYGJVPW-AZUAARDMSA-N 2 1 381.520 3.649 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(OCc2cccnc2)c1 ZINC000443979150 863081436 /nfs/dbraw/zinc/08/14/36/863081436.db2.gz NZACQRQIEZFPJN-IBGZPJMESA-N 2 1 383.536 3.879 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(OCc2cccnc2)c1 ZINC000443979150 863081446 /nfs/dbraw/zinc/08/14/46/863081446.db2.gz NZACQRQIEZFPJN-IBGZPJMESA-N 2 1 383.536 3.879 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)C1CCCCC1 ZINC000182534462 863267812 /nfs/dbraw/zinc/26/78/12/863267812.db2.gz JODKQSKDGSSKKM-VXKWHMMOSA-N 2 1 392.609 3.897 20 0 GHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000281585787 863268602 /nfs/dbraw/zinc/26/86/02/863268602.db2.gz LLLLEBQYBVPKJU-DENIHFKCSA-N 2 1 384.495 3.568 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000605887646 863268614 /nfs/dbraw/zinc/26/86/14/863268614.db2.gz MYRXMINWINATOG-NRFANRHFSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000605887646 863268624 /nfs/dbraw/zinc/26/86/24/863268624.db2.gz MYRXMINWINATOG-NRFANRHFSA-N 2 1 386.584 3.559 20 0 GHADMP COc1cccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183142802 863484414 /nfs/dbraw/zinc/48/44/14/863484414.db2.gz LYFVKCLJYRUBEC-IAGOWNOFSA-N 2 1 392.503 3.545 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000606622012 863740933 /nfs/dbraw/zinc/74/09/33/863740933.db2.gz OJXLCVQOELUBMK-QFIPXVFZSA-N 2 1 386.584 3.512 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000428335465 863769002 /nfs/dbraw/zinc/76/90/02/863769002.db2.gz XXRUJYPIKFADPO-FQEVSTJZSA-N 2 1 391.437 3.799 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554214399 863903695 /nfs/dbraw/zinc/90/36/95/863903695.db2.gz QCPFLDDDNBQBPL-FXAWDEMLSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000103303282 863948860 /nfs/dbraw/zinc/94/88/60/863948860.db2.gz DQGQZLHAGGIUNE-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H](NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C1=CC[NH+](C)CC1 ZINC000667609939 863954884 /nfs/dbraw/zinc/95/48/84/863954884.db2.gz UUWYKSKODVYVKD-CQSZACIVSA-N 2 1 399.564 3.662 20 0 GHADMP C[C@@H](NC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1)C1=CC[N@H+](C)CC1 ZINC000667609939 863954899 /nfs/dbraw/zinc/95/48/99/863954899.db2.gz UUWYKSKODVYVKD-CQSZACIVSA-N 2 1 399.564 3.662 20 0 GHADMP C[C@@H](NC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1)C1=CC[N@@H+](C)CC1 ZINC000667609939 863954906 /nfs/dbraw/zinc/95/49/06/863954906.db2.gz UUWYKSKODVYVKD-CQSZACIVSA-N 2 1 399.564 3.662 20 0 GHADMP CC(C)(C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000645786898 864027875 /nfs/dbraw/zinc/02/78/75/864027875.db2.gz IIALGTZXKHWRRQ-IFMALSPDSA-N 2 1 379.548 3.741 20 0 GHADMP COCCc1ncc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898516759 864072280 /nfs/dbraw/zinc/07/22/80/864072280.db2.gz CCDXJCAMBXYWRK-AABGKKOBSA-N 2 1 385.577 3.722 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]C4CCN(C[C@@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518662 864078799 /nfs/dbraw/zinc/07/87/99/864078799.db2.gz IZBGIJGUGNNAPK-OUMDNPPYSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518662 864078811 /nfs/dbraw/zinc/07/88/11/864078811.db2.gz IZBGIJGUGNNAPK-OUMDNPPYSA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]([NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)CC[C@@H]3C2)cc1 ZINC000898518662 864078825 /nfs/dbraw/zinc/07/88/25/864078825.db2.gz IZBGIJGUGNNAPK-OUMDNPPYSA-N 3 1 397.607 3.520 20 0 GHADMP CN(C)Cc1cnc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518749 864078960 /nfs/dbraw/zinc/07/89/60/864078960.db2.gz KXRKIRMPHBHGFU-AABGKKOBSA-N 2 1 384.593 3.595 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518749 864078973 /nfs/dbraw/zinc/07/89/73/864078973.db2.gz KXRKIRMPHBHGFU-AABGKKOBSA-N 3 1 384.593 3.595 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898518749 864078986 /nfs/dbraw/zinc/07/89/86/864078986.db2.gz KXRKIRMPHBHGFU-AABGKKOBSA-N 3 1 384.593 3.595 20 0 GHADMP FC(F)(F)Cn1ccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898522737 864089776 /nfs/dbraw/zinc/08/97/76/864089776.db2.gz SVPCHFMXPLAEQV-CEXWTWQISA-N 2 1 392.469 3.836 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000494449564 881737499 /nfs/dbraw/zinc/73/74/99/881737499.db2.gz BUGFGVBECPYIQE-MAUKXSAKSA-N 2 1 381.358 3.835 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F)c1ccccc1 ZINC000475126697 864265901 /nfs/dbraw/zinc/26/59/01/864265901.db2.gz GJXZILQHQUDKRT-GOSISDBHSA-N 2 1 391.918 3.723 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c2ccccc2)cc1 ZINC000607391075 864327462 /nfs/dbraw/zinc/32/74/62/864327462.db2.gz AUCJEDVWOBFBMH-GVXSCFBNSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000607391075 864327476 /nfs/dbraw/zinc/32/74/76/864327476.db2.gz AUCJEDVWOBFBMH-GVXSCFBNSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c2ccccc2)cc1 ZINC000607391075 864327494 /nfs/dbraw/zinc/32/74/94/864327494.db2.gz AUCJEDVWOBFBMH-GVXSCFBNSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c2ccccc2)cc1 ZINC000607391076 864327810 /nfs/dbraw/zinc/32/78/10/864327810.db2.gz AUCJEDVWOBFBMH-IEZKXTBUSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000607391076 864327829 /nfs/dbraw/zinc/32/78/29/864327829.db2.gz AUCJEDVWOBFBMH-IEZKXTBUSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)cc1 ZINC000607391076 864327845 /nfs/dbraw/zinc/32/78/45/864327845.db2.gz AUCJEDVWOBFBMH-IEZKXTBUSA-N 2 1 396.575 3.736 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000621751185 864397709 /nfs/dbraw/zinc/39/77/09/864397709.db2.gz BPCOHCYVKYCZBX-FYYLOGMGSA-N 2 1 377.532 3.986 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000621751517 864398053 /nfs/dbraw/zinc/39/80/53/864398053.db2.gz IGJFNTRQOGWJJO-GGAORHGYSA-N 2 1 377.532 3.639 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1Cl ZINC000523007949 864425272 /nfs/dbraw/zinc/42/52/72/864425272.db2.gz RKIKRBJZIRWSEO-HNNXBMFYSA-N 2 1 383.989 3.550 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)nc1 ZINC001168058730 864475417 /nfs/dbraw/zinc/47/54/17/864475417.db2.gz QZJRKHSSAVCDMC-DNVFCKCGSA-N 2 1 395.547 3.985 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164980327 864644862 /nfs/dbraw/zinc/64/48/62/864644862.db2.gz CXKXYIRWGWDSMD-CPUCHLNUSA-N 2 1 397.386 3.768 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164980327 864644864 /nfs/dbraw/zinc/64/48/64/864644864.db2.gz CXKXYIRWGWDSMD-CPUCHLNUSA-N 2 1 397.386 3.768 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165362750 864665268 /nfs/dbraw/zinc/66/52/68/864665268.db2.gz GHLXWQRZVWXHFJ-AUSIDOKSSA-N 2 1 391.575 3.517 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000165425951 864671593 /nfs/dbraw/zinc/67/15/93/864671593.db2.gz GNZNERKDRXRJOG-SOLBZPMBSA-N 2 1 385.508 3.709 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000165425951 864671602 /nfs/dbraw/zinc/67/16/02/864671602.db2.gz GNZNERKDRXRJOG-SOLBZPMBSA-N 2 1 385.508 3.709 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000480558792 864860523 /nfs/dbraw/zinc/86/05/23/864860523.db2.gz SSWGUHXRFKZYLM-URXFXBBRSA-N 2 1 388.559 3.974 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000444341216 864877920 /nfs/dbraw/zinc/87/79/20/864877920.db2.gz JWFAMYDBJHTAIR-KRWDZBQOSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000444341217 864878259 /nfs/dbraw/zinc/87/82/59/864878259.db2.gz JWFAMYDBJHTAIR-QGZVFWFLSA-N 2 1 383.540 3.805 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000480611271 864944039 /nfs/dbraw/zinc/94/40/39/864944039.db2.gz OIEQMOHNQYCRSI-BBWFWOEESA-N 2 1 375.948 3.939 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000480611271 864944049 /nfs/dbraw/zinc/94/40/49/864944049.db2.gz OIEQMOHNQYCRSI-BBWFWOEESA-N 2 1 375.948 3.939 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CCC4(CCCC4)O3)CC2)CC1 ZINC000554820742 864955100 /nfs/dbraw/zinc/95/51/00/864955100.db2.gz WEWWFTZSHBFMEH-QFIPXVFZSA-N 2 1 377.617 3.606 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000554820742 864955106 /nfs/dbraw/zinc/95/51/06/864955106.db2.gz WEWWFTZSHBFMEH-QFIPXVFZSA-N 3 1 377.617 3.606 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000554820742 864955114 /nfs/dbraw/zinc/95/51/14/864955114.db2.gz WEWWFTZSHBFMEH-QFIPXVFZSA-N 3 1 377.617 3.606 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[N@@H+](C)[C@@H](C)C4)cc3)nc12 ZINC000608061356 864955301 /nfs/dbraw/zinc/95/53/01/864955301.db2.gz QLHYTVLXDGKTSV-AZUAARDMSA-N 2 1 378.520 3.794 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[NH+]2CCCC2)cc1 ZINC000622452117 865002076 /nfs/dbraw/zinc/00/20/76/865002076.db2.gz OITDSEUHYDCYBZ-OAQYLSRUSA-N 2 1 386.584 3.648 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000622458775 865008657 /nfs/dbraw/zinc/00/86/57/865008657.db2.gz YEAXBBGQSGXKJQ-QFIPXVFZSA-N 2 1 375.601 3.898 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000608166778 865041376 /nfs/dbraw/zinc/04/13/76/865041376.db2.gz ROEXAPVTYUDJCS-HSZRJFAPSA-N 2 1 377.532 3.629 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)cc2)CC1 ZINC000480652903 865044232 /nfs/dbraw/zinc/04/42/32/865044232.db2.gz NDCUSJOOURUQJV-UHFFFAOYSA-N 2 1 393.575 3.903 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000480693990 865100021 /nfs/dbraw/zinc/10/00/21/865100021.db2.gz KJVHKVBPAXCUOX-QHCPKHFHSA-N 2 1 397.607 3.808 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000480693990 865100027 /nfs/dbraw/zinc/10/00/27/865100027.db2.gz KJVHKVBPAXCUOX-QHCPKHFHSA-N 2 1 397.607 3.808 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000480693990 865100035 /nfs/dbraw/zinc/10/00/35/865100035.db2.gz KJVHKVBPAXCUOX-QHCPKHFHSA-N 2 1 397.607 3.808 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480679481 865101750 /nfs/dbraw/zinc/10/17/50/865101750.db2.gz VEDAZJDYULKSRW-JTOYRKQZSA-N 2 1 387.612 3.796 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000480702875 865115641 /nfs/dbraw/zinc/11/56/41/865115641.db2.gz YDKZIAMBIVRJGL-UNMCSNQZSA-N 2 1 388.600 3.545 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000480702875 865115646 /nfs/dbraw/zinc/11/56/46/865115646.db2.gz YDKZIAMBIVRJGL-UNMCSNQZSA-N 2 1 388.600 3.545 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000480748418 865192721 /nfs/dbraw/zinc/19/27/21/865192721.db2.gz LFTMWGNPXGZESI-QGZVFWFLSA-N 2 1 377.529 3.885 20 0 GHADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cccs1 ZINC000171386492 865235340 /nfs/dbraw/zinc/23/53/40/865235340.db2.gz YZLXEIMQCOVXFP-FQEVSTJZSA-N 2 1 377.598 3.759 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c2c1C ZINC000301706755 865502379 /nfs/dbraw/zinc/50/23/79/865502379.db2.gz GLYACDTXPDEVMC-ROUUACIJSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2c1C ZINC000301706755 865502384 /nfs/dbraw/zinc/50/23/84/865502384.db2.gz GLYACDTXPDEVMC-ROUUACIJSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000608656188 865562172 /nfs/dbraw/zinc/56/21/72/865562172.db2.gz PQUFNFGUNUOPNI-GOTSBHOMSA-N 2 1 394.563 3.514 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000555231147 865750230 /nfs/dbraw/zinc/75/02/30/865750230.db2.gz VXGFSEMCYXANEB-ZJVRTDGDSA-N 2 1 377.960 3.710 20 0 GHADMP CC(C)[NH+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000555231147 865750239 /nfs/dbraw/zinc/75/02/39/865750239.db2.gz VXGFSEMCYXANEB-ZJVRTDGDSA-N 2 1 377.960 3.710 20 0 GHADMP CC(C)[NH+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555231147 865750246 /nfs/dbraw/zinc/75/02/46/865750246.db2.gz VXGFSEMCYXANEB-ZJVRTDGDSA-N 2 1 377.960 3.710 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000655717279 865754295 /nfs/dbraw/zinc/75/42/95/865754295.db2.gz ZYRHZEYFZHGDIT-OAHLLOKOSA-N 2 1 389.341 3.517 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000655717279 865754306 /nfs/dbraw/zinc/75/43/06/865754306.db2.gz ZYRHZEYFZHGDIT-OAHLLOKOSA-N 2 1 389.341 3.517 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)C2)CC1 ZINC000533987348 865925853 /nfs/dbraw/zinc/92/58/53/865925853.db2.gz YJTAJOXKKBWPJH-WWNPGLIZSA-N 2 1 398.595 3.585 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000481182859 865947020 /nfs/dbraw/zinc/94/70/20/865947020.db2.gz AUDOOFRKGYHESG-AWRGLXIESA-N 2 1 393.575 3.981 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000481182859 865947024 /nfs/dbraw/zinc/94/70/24/865947024.db2.gz AUDOOFRKGYHESG-AWRGLXIESA-N 2 1 393.575 3.981 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175120884 865975526 /nfs/dbraw/zinc/97/55/26/865975526.db2.gz KNJGJELTMZBDJR-DEOSSOPVSA-N 2 1 391.559 3.633 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001273372684 866001470 /nfs/dbraw/zinc/00/14/70/866001470.db2.gz NCMMMPCDIGMNDE-OALUTQOASA-N 2 1 396.362 3.510 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001273372684 866001485 /nfs/dbraw/zinc/00/14/85/866001485.db2.gz NCMMMPCDIGMNDE-OALUTQOASA-N 2 1 396.362 3.510 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]CCc2c[nH+]cn2C)cc1OCC ZINC000623086664 866006598 /nfs/dbraw/zinc/00/65/98/866006598.db2.gz CSMBAEXTGXMQJM-UHFFFAOYSA-N 2 1 396.329 3.702 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000183127217 866245402 /nfs/dbraw/zinc/24/54/02/866245402.db2.gz NTMTVHDBEDZWLA-IQFVJIFQSA-N 2 1 380.532 3.619 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857048280 881961083 /nfs/dbraw/zinc/96/10/83/881961083.db2.gz XJSLPZJYMFVHOP-JOCHJYFZSA-N 2 1 388.515 3.920 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857048280 881961095 /nfs/dbraw/zinc/96/10/95/881961095.db2.gz XJSLPZJYMFVHOP-JOCHJYFZSA-N 2 1 388.515 3.920 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000552904511 866466503 /nfs/dbraw/zinc/46/65/03/866466503.db2.gz JWFOJHFDMMVQSE-GCJKJVERSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000552904511 866466516 /nfs/dbraw/zinc/46/65/16/866466516.db2.gz JWFOJHFDMMVQSE-GCJKJVERSA-N 2 1 383.511 3.588 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000620192716 866526960 /nfs/dbraw/zinc/52/69/60/866526960.db2.gz SEHWVOBCYGKNHU-HSZRJFAPSA-N 2 1 391.559 3.780 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000478801918 866671394 /nfs/dbraw/zinc/67/13/94/866671394.db2.gz SCAYTQIFNSIDBA-VIZSFHNOSA-N 2 1 398.595 3.687 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414080156 866743887 /nfs/dbraw/zinc/74/38/87/866743887.db2.gz CVFIRIVSBXVSRA-RXVVDRJESA-N 2 1 391.987 3.899 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479059511 867076708 /nfs/dbraw/zinc/07/67/08/867076708.db2.gz LTMCHRHJJPDEMN-LJQANCHMSA-N 2 1 394.401 3.789 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479066919 867087610 /nfs/dbraw/zinc/08/76/10/867087610.db2.gz JQUUTWKXHCNXKU-HXUWFJFHSA-N 2 1 394.401 3.690 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314469 867153781 /nfs/dbraw/zinc/15/37/81/867153781.db2.gz MHSUJSQPJNONTC-PZJWPPBQSA-N 2 1 385.577 3.769 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)[C@@H](C)C1 ZINC000429787838 867334544 /nfs/dbraw/zinc/33/45/44/867334544.db2.gz XNGNYLMSECOIHG-APTRMMRNSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)[C@@H](C)C1 ZINC000429787838 867334560 /nfs/dbraw/zinc/33/45/60/867334560.db2.gz XNGNYLMSECOIHG-APTRMMRNSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)[C@@H](C)C1 ZINC000429787838 867334579 /nfs/dbraw/zinc/33/45/79/867334579.db2.gz XNGNYLMSECOIHG-APTRMMRNSA-N 2 1 382.548 3.755 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000553835930 868293942 /nfs/dbraw/zinc/29/39/42/868293942.db2.gz CFAFFNDQSJWLEU-GFCCVEGCSA-N 2 1 377.273 3.870 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000553835930 868293961 /nfs/dbraw/zinc/29/39/61/868293961.db2.gz CFAFFNDQSJWLEU-GFCCVEGCSA-N 2 1 377.273 3.870 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000156816290 868472681 /nfs/dbraw/zinc/47/26/81/868472681.db2.gz NLEAAYVETRBOAH-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[N@H+]5CCC[C@H]5C4)cc3)nc12 ZINC000621055837 868613381 /nfs/dbraw/zinc/61/33/81/868613381.db2.gz BDYYYTVQSXYSBV-UNMCSNQZSA-N 2 1 390.531 3.938 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)c2)C1 ZINC000857339263 882209649 /nfs/dbraw/zinc/20/96/49/882209649.db2.gz ODBLQQDCIBWRFV-GOTSBHOMSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[N@@H+]3Cc3ccccc3)c2)C1 ZINC000857339263 882209665 /nfs/dbraw/zinc/20/96/65/882209665.db2.gz ODBLQQDCIBWRFV-GOTSBHOMSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)c2)C1 ZINC000857339263 882209683 /nfs/dbraw/zinc/20/96/83/882209683.db2.gz ODBLQQDCIBWRFV-GOTSBHOMSA-N 2 1 377.532 3.500 20 0 GHADMP COC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(Cl)c1F ZINC000554050335 868650937 /nfs/dbraw/zinc/65/09/37/868650937.db2.gz JKJLFJMBLPWTLG-IBGZPJMESA-N 2 1 380.891 3.897 20 0 GHADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157510608 868673996 /nfs/dbraw/zinc/67/39/96/868673996.db2.gz OCHUDQXFZJTZOQ-JKSUJKDBSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157510608 868674004 /nfs/dbraw/zinc/67/40/04/868674004.db2.gz OCHUDQXFZJTZOQ-JKSUJKDBSA-N 2 1 387.351 3.683 20 0 GHADMP FC(F)(F)c1cnc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000181768695 869105314 /nfs/dbraw/zinc/10/53/14/869105314.db2.gz XWLCGEHSMCGCER-ZIAGYGMSSA-N 2 1 377.838 3.739 20 0 GHADMP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000744873220 869133986 /nfs/dbraw/zinc/13/39/86/869133986.db2.gz CLXLDFZXGLXOKU-RBUKOAKNSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000487519910 869338338 /nfs/dbraw/zinc/33/83/38/869338338.db2.gz RXNNPPHWJNUSMR-PGRDOPGGSA-N 2 1 380.536 3.780 20 0 GHADMP C[C@]1(CCCO)CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000539613374 869444466 /nfs/dbraw/zinc/44/44/66/869444466.db2.gz BLDUKBQNZZYTCB-DNQXCXABSA-N 2 1 388.596 3.941 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000539634665 869479933 /nfs/dbraw/zinc/47/99/33/869479933.db2.gz ZKMDVGWCESRBRT-NSHDSACASA-N 2 1 388.256 3.981 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446263171 869647140 /nfs/dbraw/zinc/64/71/40/869647140.db2.gz ULVHAYPYCXSDHV-SFYKDHMMSA-N 2 1 396.535 3.526 20 0 GHADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000524878511 869709191 /nfs/dbraw/zinc/70/91/91/869709191.db2.gz GRDBHOZRDYANBQ-PCCBWWKXSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000745948677 869900194 /nfs/dbraw/zinc/90/01/94/869900194.db2.gz QVVVIQHPBYJYBH-LJQANCHMSA-N 2 1 387.568 3.715 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000446569447 870019418 /nfs/dbraw/zinc/01/94/18/870019418.db2.gz OBNXHONQEWYPHE-OAQYLSRUSA-N 2 1 380.536 3.577 20 0 GHADMP CCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446575574 870029004 /nfs/dbraw/zinc/02/90/04/870029004.db2.gz KDFBKPKUDLLCDN-QFIPXVFZSA-N 2 1 394.563 3.919 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](CCc4ccc(F)cc4)CC3)c2)C1 ZINC000462855598 870213728 /nfs/dbraw/zinc/21/37/28/870213728.db2.gz NYGQJFWZFKZEIO-XMMPIXPASA-N 2 1 397.538 3.511 20 0 GHADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043695 870290917 /nfs/dbraw/zinc/29/09/17/870290917.db2.gz DQJMHJZNKMSSEX-KNQAVFIVSA-N 2 1 386.584 3.657 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000462884644 870298642 /nfs/dbraw/zinc/29/86/42/870298642.db2.gz QKSKNCKFZOTHNH-XMMPIXPASA-N 2 1 379.548 3.697 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000540046867 870301920 /nfs/dbraw/zinc/30/19/20/870301920.db2.gz QODQLMDHBTYYCL-UHFFFAOYSA-N 2 1 384.499 3.706 20 0 GHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248151216 870301870 /nfs/dbraw/zinc/30/18/70/870301870.db2.gz QUXBVKXTTORFMS-XMSQKQJNSA-N 2 1 397.538 3.634 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](CC)CC1)c1cccc(C(F)(F)F)c1 ZINC000525332519 870380113 /nfs/dbraw/zinc/38/01/13/870380113.db2.gz REFRAJGJYHEJHG-SFHVURJKSA-N 2 1 385.474 3.643 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](CC)CC1)c1cccc(C(F)(F)F)c1 ZINC000525332519 870380119 /nfs/dbraw/zinc/38/01/19/870380119.db2.gz REFRAJGJYHEJHG-SFHVURJKSA-N 2 1 385.474 3.643 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccnc(N4CCCC4)c2)C3)cc1 ZINC000248417030 870394909 /nfs/dbraw/zinc/39/49/09/870394909.db2.gz JFKYGQAONFPQAC-WBDAEOGXSA-N 2 1 376.548 3.967 20 0 GHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248442163 870422803 /nfs/dbraw/zinc/42/28/03/870422803.db2.gz KQOKYUOKRUIDGR-GGAORHGYSA-N 2 1 380.532 3.874 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000540143365 870595722 /nfs/dbraw/zinc/59/57/22/870595722.db2.gz FOLZSTGQTPPJIN-SBOSXTITSA-N 3 1 379.633 3.756 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000540143365 870595727 /nfs/dbraw/zinc/59/57/27/870595727.db2.gz FOLZSTGQTPPJIN-SBOSXTITSA-N 2 1 379.633 3.756 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000525392523 870601033 /nfs/dbraw/zinc/60/10/33/870601033.db2.gz NPQIFBGXYFHCKT-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000525392523 870601037 /nfs/dbraw/zinc/60/10/37/870601037.db2.gz NPQIFBGXYFHCKT-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000525392523 870601045 /nfs/dbraw/zinc/60/10/45/870601045.db2.gz NPQIFBGXYFHCKT-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CCCCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000538795734 870621011 /nfs/dbraw/zinc/62/10/11/870621011.db2.gz SHEDMYGEZJOKMR-KCZVDYSFSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000538795734 870621022 /nfs/dbraw/zinc/62/10/22/870621022.db2.gz SHEDMYGEZJOKMR-KCZVDYSFSA-N 2 1 390.568 3.948 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000540156088 870642611 /nfs/dbraw/zinc/64/26/11/870642611.db2.gz FOJJYNJSBTUVGQ-VQIMIIECSA-N 2 1 393.453 3.979 20 0 GHADMP C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775550804 870720680 /nfs/dbraw/zinc/72/06/80/870720680.db2.gz BLAXVCKPOMVKDW-UYAOXDASSA-N 2 1 387.568 3.934 20 0 GHADMP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000920920350 882440531 /nfs/dbraw/zinc/44/05/31/882440531.db2.gz KUPYPMHAUJKQSR-UHFFFAOYSA-N 2 1 380.621 3.796 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cnn1-c1ccccc1 ZINC000766495109 870837749 /nfs/dbraw/zinc/83/77/49/870837749.db2.gz XKWJRPKVEFMXDW-QGZVFWFLSA-N 2 1 390.535 3.907 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCSc3ccccc3F)CC2)C[C@H](C)O1 ZINC000540246400 870851678 /nfs/dbraw/zinc/85/16/78/870851678.db2.gz HCGYHLLKNYJAHY-ROUUACIJSA-N 2 1 396.572 3.508 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1)CC(C)C ZINC000540264479 870871465 /nfs/dbraw/zinc/87/14/65/870871465.db2.gz ITBYYTBVSRHLJI-LEWJYISDSA-N 2 1 380.621 3.649 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463118166 870955187 /nfs/dbraw/zinc/95/51/87/870955187.db2.gz WUZPYUQFGKODID-NQIIRXRSSA-N 2 1 383.511 3.507 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463118166 870955192 /nfs/dbraw/zinc/95/51/92/870955192.db2.gz WUZPYUQFGKODID-NQIIRXRSSA-N 2 1 383.511 3.507 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463118167 870955315 /nfs/dbraw/zinc/95/53/15/870955315.db2.gz WUZPYUQFGKODID-RXVVDRJESA-N 2 1 383.511 3.507 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000463118167 870955319 /nfs/dbraw/zinc/95/53/19/870955319.db2.gz WUZPYUQFGKODID-RXVVDRJESA-N 2 1 383.511 3.507 20 0 GHADMP C[N@H+](Cc1ccc2nc(NC(=O)Cn3c[nH+]c4c3CCCC4)sc2c1)C1CC1 ZINC000617865686 870973248 /nfs/dbraw/zinc/97/32/48/870973248.db2.gz LZIBQHGLRAKERG-UHFFFAOYSA-N 2 1 395.532 3.605 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)Cn3c[nH+]c4c3CCCC4)sc2c1)C1CC1 ZINC000617865686 870973258 /nfs/dbraw/zinc/97/32/58/870973258.db2.gz LZIBQHGLRAKERG-UHFFFAOYSA-N 2 1 395.532 3.605 20 0 GHADMP OC[C@@H](C1CC1)N(Cc1ccccc1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429696573 871043740 /nfs/dbraw/zinc/04/37/40/871043740.db2.gz IRJCVFHRQAQJLU-RPBOFIJWSA-N 2 1 394.559 3.551 20 0 GHADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429697786 871046064 /nfs/dbraw/zinc/04/60/64/871046064.db2.gz MKPRLQPACJRSSL-NFBKMPQASA-N 2 1 399.604 3.718 20 0 GHADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429697786 871046088 /nfs/dbraw/zinc/04/60/88/871046088.db2.gz MKPRLQPACJRSSL-NFBKMPQASA-N 2 1 399.604 3.718 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000857691769 882474316 /nfs/dbraw/zinc/47/43/16/882474316.db2.gz VTPACNHGBPUMNW-UHFFFAOYSA-N 2 1 383.580 3.762 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001169118597 871208138 /nfs/dbraw/zinc/20/81/38/871208138.db2.gz LJRZBFNECDETHJ-CCQCEHTISA-N 2 1 375.944 3.596 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccccc3C(F)(F)F)CC1)C2 ZINC001169117895 871208260 /nfs/dbraw/zinc/20/82/60/871208260.db2.gz BLFUOUWCEJFAGS-LDLYASANSA-N 2 1 381.486 3.885 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC001193649366 871214832 /nfs/dbraw/zinc/21/48/32/871214832.db2.gz PDUZWRAWEUTEDR-DZGCQCFKSA-N 2 1 375.376 3.737 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)[C@@H](C)C1 ZINC001193649366 871214849 /nfs/dbraw/zinc/21/48/49/871214849.db2.gz PDUZWRAWEUTEDR-DZGCQCFKSA-N 2 1 375.376 3.737 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130386 871218490 /nfs/dbraw/zinc/21/84/90/871218490.db2.gz NIKNYMSHBXOVDX-XKRYSZRTSA-N 2 1 391.600 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)C(=O)N(CC1CC1)[C@H]3c1ccccc1)C2 ZINC001169136820 871224824 /nfs/dbraw/zinc/22/48/24/871224824.db2.gz AFCKOIXVXLJCRO-AFXVXQJMSA-N 2 1 393.575 3.687 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461911098 871249424 /nfs/dbraw/zinc/24/94/24/871249424.db2.gz QMWVUQQWGPQXCB-KRWDZBQOSA-N 2 1 382.508 3.897 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461911098 871249434 /nfs/dbraw/zinc/24/94/34/871249434.db2.gz QMWVUQQWGPQXCB-KRWDZBQOSA-N 2 1 382.508 3.897 20 0 GHADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(-c2ccccc2)oc1C(F)(F)F ZINC001193801320 871315349 /nfs/dbraw/zinc/31/53/49/871315349.db2.gz HOMKHESIUIMAKY-UHFFFAOYSA-N 2 1 396.413 3.643 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001193807413 871319022 /nfs/dbraw/zinc/31/90/22/871319022.db2.gz KPQFLJVDOORGPN-FPOVZHCZSA-N 2 1 385.596 3.914 20 0 GHADMP CCC(CC)[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC001193977469 871414604 /nfs/dbraw/zinc/41/46/04/871414604.db2.gz RKSKFVKEMYRDNT-OAQYLSRUSA-N 2 1 379.976 3.960 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000461998582 871417748 /nfs/dbraw/zinc/41/77/48/871417748.db2.gz VKYLCUUVKCMYGY-ICSRJNTNSA-N 2 1 394.629 3.894 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462001906 871427265 /nfs/dbraw/zinc/42/72/65/871427265.db2.gz BNRYTISTNQLTJJ-IRLDBZIGSA-N 2 1 388.600 3.803 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC1)CC(C)C ZINC000539170050 871456016 /nfs/dbraw/zinc/45/60/16/871456016.db2.gz NXVWDKAORKXSDS-JOCHJYFZSA-N 2 1 394.648 3.896 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1)CC(C)C ZINC000539170050 871456023 /nfs/dbraw/zinc/45/60/23/871456023.db2.gz NXVWDKAORKXSDS-JOCHJYFZSA-N 2 1 394.648 3.896 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1)CC(C)C ZINC000539170050 871456031 /nfs/dbraw/zinc/45/60/31/871456031.db2.gz NXVWDKAORKXSDS-JOCHJYFZSA-N 2 1 394.648 3.896 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1C ZINC001205652330 871484390 /nfs/dbraw/zinc/48/43/90/871484390.db2.gz PGRBNOCGPKYJDE-WFASDCNBSA-N 2 1 386.321 3.715 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001194222328 871567332 /nfs/dbraw/zinc/56/73/32/871567332.db2.gz QYAJOCGQLAWNAZ-YKSBVNFPSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC=C(c2ccccc2)C1 ZINC001194222328 871567339 /nfs/dbraw/zinc/56/73/39/871567339.db2.gz QYAJOCGQLAWNAZ-YKSBVNFPSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC=C(c2ccccc2)C1 ZINC001194222328 871567351 /nfs/dbraw/zinc/56/73/51/871567351.db2.gz QYAJOCGQLAWNAZ-YKSBVNFPSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC=C(c2ccccc2)C1 ZINC001194222328 871567369 /nfs/dbraw/zinc/56/73/69/871567369.db2.gz QYAJOCGQLAWNAZ-YKSBVNFPSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCCc4c3cnn4C)cc2)C[C@H]1C ZINC000539299447 871625467 /nfs/dbraw/zinc/62/54/67/871625467.db2.gz ZGKHXXMVWOSIQU-YYDVJCTNSA-N 2 1 396.579 3.596 20 0 GHADMP c1ccc(CC2CC[NH+](CCC[N@@H+]3CCOC4(CCOCC4)CC3)CC2)cc1 ZINC001169593677 871654183 /nfs/dbraw/zinc/65/41/83/871654183.db2.gz QZMOOPCPJKGCKW-UHFFFAOYSA-N 2 1 386.580 3.603 20 0 GHADMP c1ccc(CC2CC[NH+](CCC[N@H+]3CCOC4(CCOCC4)CC3)CC2)cc1 ZINC001169593677 871654197 /nfs/dbraw/zinc/65/41/97/871654197.db2.gz QZMOOPCPJKGCKW-UHFFFAOYSA-N 2 1 386.580 3.603 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000552034573 871659301 /nfs/dbraw/zinc/65/93/01/871659301.db2.gz GUSOGJWRXWUCAM-HIGZBPRKSA-N 2 1 382.548 3.711 20 0 GHADMP C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000539331611 871713184 /nfs/dbraw/zinc/71/31/84/871713184.db2.gz XKMFOUPFHKVKRA-UHFFFAOYSA-N 2 1 381.520 3.516 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)c1)C1CC1 ZINC000539332400 871715263 /nfs/dbraw/zinc/71/52/63/871715263.db2.gz STIJMUYTWDWLEH-NRFANRHFSA-N 2 1 392.547 3.569 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1)C1CC1 ZINC000539332400 871715268 /nfs/dbraw/zinc/71/52/68/871715268.db2.gz STIJMUYTWDWLEH-NRFANRHFSA-N 2 1 392.547 3.569 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1)C1CC1 ZINC000539332400 871715278 /nfs/dbraw/zinc/71/52/78/871715278.db2.gz STIJMUYTWDWLEH-NRFANRHFSA-N 2 1 392.547 3.569 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(=O)Cc1ccccc1 ZINC001169666007 871735559 /nfs/dbraw/zinc/73/55/59/871735559.db2.gz HPNJMMJQNJFLQV-JOCHJYFZSA-N 2 1 380.532 3.663 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC(=O)Cc1ccccc1 ZINC001169666007 871735576 /nfs/dbraw/zinc/73/55/76/871735576.db2.gz HPNJMMJQNJFLQV-JOCHJYFZSA-N 2 1 380.532 3.663 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000312141158 871821830 /nfs/dbraw/zinc/82/18/30/871821830.db2.gz FKJASUFWCUNMCW-IYWMVGAKSA-N 2 1 379.589 3.875 20 0 GHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169765153 871853015 /nfs/dbraw/zinc/85/30/15/871853015.db2.gz TWFLNSNPJWOYJC-XMMPIXPASA-N 2 1 391.559 3.888 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCC[C@@H]21 ZINC000552046261 871931668 /nfs/dbraw/zinc/93/16/68/871931668.db2.gz BGXLDXOYJNECMI-VABKMULXSA-N 2 1 387.531 3.897 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000477973819 872241195 /nfs/dbraw/zinc/24/11/95/872241195.db2.gz ULNZBTFAXJSWDQ-UHFFFAOYSA-N 2 1 391.559 3.822 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@H](C)C1 ZINC000093639405 872308626 /nfs/dbraw/zinc/30/86/26/872308626.db2.gz FFUHDBSXIGSMIS-NQIIRXRSSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@H](C)C1 ZINC000093639405 872308636 /nfs/dbraw/zinc/30/86/36/872308636.db2.gz FFUHDBSXIGSMIS-NQIIRXRSSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)[C@H](C)C1 ZINC000093639405 872308652 /nfs/dbraw/zinc/30/86/52/872308652.db2.gz FFUHDBSXIGSMIS-NQIIRXRSSA-N 2 1 383.536 3.831 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093705529 872353395 /nfs/dbraw/zinc/35/33/95/872353395.db2.gz MFBSRCGUZZNOIB-IRXDYDNUSA-N 2 1 387.959 3.506 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093705529 872353410 /nfs/dbraw/zinc/35/34/10/872353410.db2.gz MFBSRCGUZZNOIB-IRXDYDNUSA-N 2 1 387.959 3.506 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000093712323 872361208 /nfs/dbraw/zinc/36/12/08/872361208.db2.gz PGRMNZAGJLWVQR-NDEPHWFRSA-N 2 1 399.604 3.588 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000093712323 872361223 /nfs/dbraw/zinc/36/12/23/872361223.db2.gz PGRMNZAGJLWVQR-NDEPHWFRSA-N 2 1 399.604 3.588 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465563425 872438402 /nfs/dbraw/zinc/43/84/02/872438402.db2.gz GVHMIHSBQMMQIY-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CC[N@H+](Cc1ccccc1N1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818821 872439912 /nfs/dbraw/zinc/43/99/12/872439912.db2.gz ITIKGWKPWVDJLW-HSZRJFAPSA-N 2 1 393.575 3.867 20 0 GHADMP CC[NH+](Cc1ccccc1N1CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818821 872439917 /nfs/dbraw/zinc/43/99/17/872439917.db2.gz ITIKGWKPWVDJLW-HSZRJFAPSA-N 2 1 393.575 3.867 20 0 GHADMP CC[NH+](Cc1ccccc1N1CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818821 872439924 /nfs/dbraw/zinc/43/99/24/872439924.db2.gz ITIKGWKPWVDJLW-HSZRJFAPSA-N 2 1 393.575 3.867 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000767358275 872452545 /nfs/dbraw/zinc/45/25/45/872452545.db2.gz CVAGUYJEDHMMID-UHFFFAOYSA-N 2 1 396.457 3.688 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000527066409 872548536 /nfs/dbraw/zinc/54/85/36/872548536.db2.gz NQBBUILPMZUJSZ-GMKZXUHWSA-N 2 1 394.563 3.607 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2C)cc1 ZINC000541026812 872746929 /nfs/dbraw/zinc/74/69/29/872746929.db2.gz HETPHJWINAOKFL-AVRDEDQJSA-N 2 1 379.504 3.888 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(C)cc2C)cc1 ZINC000541026813 872747125 /nfs/dbraw/zinc/74/71/25/872747125.db2.gz HETPHJWINAOKFL-GCJKJVERSA-N 2 1 379.504 3.888 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2c(Br)c(C)nn2C)CC1 ZINC000448340397 873225466 /nfs/dbraw/zinc/22/54/66/873225466.db2.gz WNGKDAKOEGQCKD-UHFFFAOYSA-N 2 1 385.394 3.825 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ncc2cccc(OCc3ccccc3)c21 ZINC000768486366 873348691 /nfs/dbraw/zinc/34/86/91/873348691.db2.gz ZTBISIJEUTUGML-UHFFFAOYSA-N 2 1 378.520 3.846 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448449338 873400827 /nfs/dbraw/zinc/40/08/27/873400827.db2.gz PYQOLIVJXHEINM-OIBXWCBGSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448449338 873400828 /nfs/dbraw/zinc/40/08/28/873400828.db2.gz PYQOLIVJXHEINM-OIBXWCBGSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448449338 873400829 /nfs/dbraw/zinc/40/08/29/873400829.db2.gz PYQOLIVJXHEINM-OIBXWCBGSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448449338 873400830 /nfs/dbraw/zinc/40/08/30/873400830.db2.gz PYQOLIVJXHEINM-OIBXWCBGSA-N 2 1 399.554 3.656 20 0 GHADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCCC1 ZINC000448464933 873423211 /nfs/dbraw/zinc/42/32/11/873423211.db2.gz IMGOORAPFYETAZ-BVSLBCMMSA-N 2 1 390.616 3.545 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3COc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000550882232 882762151 /nfs/dbraw/zinc/76/21/51/882762151.db2.gz IYOSEKLAYQQXII-DHIUTWEWSA-N 2 1 392.543 3.509 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000769191550 873844675 /nfs/dbraw/zinc/84/46/75/873844675.db2.gz FKGRDZYXDPDFCB-FGZHOGPDSA-N 2 1 384.612 3.667 20 0 GHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000541599878 873920547 /nfs/dbraw/zinc/92/05/47/873920547.db2.gz RKWSVJKEKIBTAD-MJGOQNOKSA-N 2 1 378.582 3.611 20 0 GHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000541599878 873920553 /nfs/dbraw/zinc/92/05/53/873920553.db2.gz RKWSVJKEKIBTAD-MJGOQNOKSA-N 2 1 378.582 3.611 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCCCSc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601313 873921718 /nfs/dbraw/zinc/92/17/18/873921718.db2.gz YBIUHTIYIAEWDS-OALUTQOASA-N 2 1 389.609 3.528 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCCCSc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601313 873921725 /nfs/dbraw/zinc/92/17/25/873921725.db2.gz YBIUHTIYIAEWDS-OALUTQOASA-N 2 1 389.609 3.528 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000541600867 873923424 /nfs/dbraw/zinc/92/34/24/873923424.db2.gz ANSOUZBVSPLALQ-JLGINSKQSA-N 2 1 383.580 3.805 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000541600867 873923432 /nfs/dbraw/zinc/92/34/32/873923432.db2.gz ANSOUZBVSPLALQ-JLGINSKQSA-N 2 1 383.580 3.805 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC001198202493 874271113 /nfs/dbraw/zinc/27/11/13/874271113.db2.gz NVAUDJONPYKADJ-XZOQPEGZSA-N 2 1 393.575 3.921 20 0 GHADMP Fc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1Br ZINC000449030025 874367815 /nfs/dbraw/zinc/36/78/15/874367815.db2.gz QLRYNIJNHBDXOH-UHFFFAOYSA-N 2 1 385.321 3.665 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449044168 874408992 /nfs/dbraw/zinc/40/89/92/874408992.db2.gz BWTVRIRNJDONTO-UWJYYQICSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449044168 874409004 /nfs/dbraw/zinc/40/90/04/874409004.db2.gz BWTVRIRNJDONTO-UWJYYQICSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000449044168 874409014 /nfs/dbraw/zinc/40/90/14/874409014.db2.gz BWTVRIRNJDONTO-UWJYYQICSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000449044168 874409022 /nfs/dbraw/zinc/40/90/22/874409022.db2.gz BWTVRIRNJDONTO-UWJYYQICSA-N 2 1 389.971 3.625 20 0 GHADMP CCCCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001198553588 874499034 /nfs/dbraw/zinc/49/90/34/874499034.db2.gz OCLDZGKQYFAIKM-IBGZPJMESA-N 2 1 377.960 3.906 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(c3ccccc3)CC2)[C@@H](C)C1 ZINC000528455655 874583046 /nfs/dbraw/zinc/58/30/46/874583046.db2.gz JSKWQYBFRFYVNG-QIMTYXLQSA-N 2 1 388.596 3.802 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508879664 874665130 /nfs/dbraw/zinc/66/51/30/874665130.db2.gz JWVSMSKYDOMNJB-PMOQBDJRSA-N 2 1 394.563 3.594 20 0 GHADMP CC[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449378201 874794706 /nfs/dbraw/zinc/79/47/06/874794706.db2.gz CZFRYZPEMOPLDZ-KRWDZBQOSA-N 2 1 376.438 3.780 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCOC3(CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC001199190038 874844320 /nfs/dbraw/zinc/84/43/20/874844320.db2.gz RJVDCKLVLBXSFU-GOTSBHOMSA-N 2 1 385.596 3.837 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001129486938 882883054 /nfs/dbraw/zinc/88/30/54/882883054.db2.gz RCPLRTCJRHUIRJ-REWPJTCUSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486938 882883074 /nfs/dbraw/zinc/88/30/74/882883074.db2.gz RCPLRTCJRHUIRJ-REWPJTCUSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486938 882883090 /nfs/dbraw/zinc/88/30/90/882883090.db2.gz RCPLRTCJRHUIRJ-REWPJTCUSA-N 2 1 389.559 3.617 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152054 875044200 /nfs/dbraw/zinc/04/42/00/875044200.db2.gz DEKVCVKWXFUNGU-FQEVSTJZSA-N 2 1 394.401 3.834 20 0 GHADMP CCOc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)c1OC ZINC000449558344 875046640 /nfs/dbraw/zinc/04/66/40/875046640.db2.gz XDOPMBJXZJLREQ-GOOCMWNKSA-N 2 1 383.330 3.571 20 0 GHADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)c1OC ZINC000449558344 875046650 /nfs/dbraw/zinc/04/66/50/875046650.db2.gz XDOPMBJXZJLREQ-GOOCMWNKSA-N 2 1 383.330 3.571 20 0 GHADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)c1OC ZINC000449558344 875046660 /nfs/dbraw/zinc/04/66/60/875046660.db2.gz XDOPMBJXZJLREQ-GOOCMWNKSA-N 2 1 383.330 3.571 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCO[C@@H](c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000449615300 875155648 /nfs/dbraw/zinc/15/56/48/875155648.db2.gz KVTGMCDZVFVWMV-YWCCWUOUSA-N 2 1 377.532 3.802 20 0 GHADMP CC[N@@H+](CCC1CCN(CC(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475900 875277915 /nfs/dbraw/zinc/27/79/15/875277915.db2.gz QQGAYBGAYIDZKX-UHFFFAOYSA-N 2 1 378.948 3.508 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000303235436 875323299 /nfs/dbraw/zinc/32/32/99/875323299.db2.gz WZXKLAJCMVREIO-LEWJYISDSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H](CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451329 875596916 /nfs/dbraw/zinc/59/69/16/875596916.db2.gz SVPIVDUSGHZLTO-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001201409496 875688380 /nfs/dbraw/zinc/68/83/80/875688380.db2.gz VJJFCDDJEWITGN-OALUTQOASA-N 2 1 375.582 3.802 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261695340 875910309 /nfs/dbraw/zinc/91/03/09/875910309.db2.gz HZAYIXVCCAHZFO-IXIUHKBRSA-N 2 1 397.485 3.722 20 0 GHADMP C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465423829 882998614 /nfs/dbraw/zinc/99/86/14/882998614.db2.gz SEFZTCALTSNHTF-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CC(F)(F)C1 ZINC000529537571 876305497 /nfs/dbraw/zinc/30/54/97/876305497.db2.gz FXZMDILZAUSLII-INIZCTEOSA-N 2 1 382.495 3.700 20 0 GHADMP CC1CC[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000173532309 876450348 /nfs/dbraw/zinc/45/03/48/876450348.db2.gz OXJVFWHIAQUIRD-QUCCMNQESA-N 2 1 392.613 3.552 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000551004737 883032765 /nfs/dbraw/zinc/03/27/65/883032765.db2.gz DUAWOODAMNKMCA-JOCHJYFZSA-N 2 1 399.579 3.940 20 0 GHADMP C[C@H](c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450644682 876704094 /nfs/dbraw/zinc/70/40/94/876704094.db2.gz BVEZCSHILAQIOQ-IAGOWNOFSA-N 2 1 383.502 3.953 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000173951499 876739626 /nfs/dbraw/zinc/73/96/26/876739626.db2.gz BVEJFPANKJDLTR-UHFFFAOYSA-N 2 1 398.551 3.937 20 0 GHADMP CCn1c2ccccc2nc1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000537661838 883060583 /nfs/dbraw/zinc/06/05/83/883060583.db2.gz ULRGCUZZUDSDDP-RTBURBONSA-N 2 1 384.568 3.768 20 0 GHADMP Brc1cccc([C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CCOCC2)c1 ZINC000530217628 877326885 /nfs/dbraw/zinc/32/68/85/877326885.db2.gz UMUJPKVMVHYWNR-ZWKOTPCHSA-N 2 1 379.342 3.791 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000642630850 912230779 /nfs/dbraw/zinc/23/07/79/912230779.db2.gz NUCMRBVBAXLFQU-LEWJYISDSA-N 2 1 396.531 3.999 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000642630850 912230798 /nfs/dbraw/zinc/23/07/98/912230798.db2.gz NUCMRBVBAXLFQU-LEWJYISDSA-N 2 1 396.531 3.999 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334627 877820240 /nfs/dbraw/zinc/82/02/40/877820240.db2.gz CNFUWCVVSOIFFF-WWUSDMIFSA-N 2 1 390.612 3.574 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1C/C=C/C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334627 877820264 /nfs/dbraw/zinc/82/02/64/877820264.db2.gz CNFUWCVVSOIFFF-WWUSDMIFSA-N 2 1 390.612 3.574 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1C/C=C/C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334627 877820277 /nfs/dbraw/zinc/82/02/77/877820277.db2.gz CNFUWCVVSOIFFF-WWUSDMIFSA-N 2 1 390.612 3.574 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000551791587 877834380 /nfs/dbraw/zinc/83/43/80/877834380.db2.gz RQCWVOXBBZMELB-GVMCONAHSA-N 2 1 394.559 3.660 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000551791587 877834388 /nfs/dbraw/zinc/83/43/88/877834388.db2.gz RQCWVOXBBZMELB-GVMCONAHSA-N 2 1 394.559 3.660 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620085 912283992 /nfs/dbraw/zinc/28/39/92/912283992.db2.gz ZYPYDDKRPVSCKG-URLQWDBASA-N 2 1 381.358 3.725 20 0 GHADMP C[C@H](C(=O)N(C)Cc1cccc(F)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245443747 877889484 /nfs/dbraw/zinc/88/94/84/877889484.db2.gz JBZKAHYPLJSJLP-DENIHFKCSA-N 2 1 397.538 3.627 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000245446314 877894699 /nfs/dbraw/zinc/89/46/99/877894699.db2.gz ZSOLVCAXQZPJTF-UYAOXDASSA-N 2 1 394.629 3.939 20 0 GHADMP C[N@@H+](C[C@H](O)CC1CCCC1)[C@H]1CCC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000530494705 877906032 /nfs/dbraw/zinc/90/60/32/877906032.db2.gz IVTZKOIPUNFUTG-YTFSRNRJSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)CC1CCCC1)[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)CC1 ZINC000530494705 877906039 /nfs/dbraw/zinc/90/60/39/877906039.db2.gz IVTZKOIPUNFUTG-YTFSRNRJSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)CC1CCCC1)[C@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)CC1 ZINC000530494705 877906043 /nfs/dbraw/zinc/90/60/43/877906043.db2.gz IVTZKOIPUNFUTG-YTFSRNRJSA-N 2 1 380.617 3.655 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000851803628 877915964 /nfs/dbraw/zinc/91/59/64/877915964.db2.gz UFKPIVXJYKURCL-HOJAQTOUSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000851803628 877915970 /nfs/dbraw/zinc/91/59/70/877915970.db2.gz UFKPIVXJYKURCL-HOJAQTOUSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000851803628 877915978 /nfs/dbraw/zinc/91/59/78/877915978.db2.gz UFKPIVXJYKURCL-HOJAQTOUSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000851803628 877915982 /nfs/dbraw/zinc/91/59/82/877915982.db2.gz UFKPIVXJYKURCL-HOJAQTOUSA-N 2 1 398.484 3.556 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000615627677 877958923 /nfs/dbraw/zinc/95/89/23/877958923.db2.gz HPYLCLXGVSHWFT-UHFFFAOYSA-N 2 1 386.584 3.546 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000615683800 878009369 /nfs/dbraw/zinc/00/93/69/878009369.db2.gz ZCULPZPPQURMAX-UHFFFAOYSA-N 2 1 386.584 3.546 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000176015735 878038586 /nfs/dbraw/zinc/03/85/86/878038586.db2.gz FYBZRRIECKRALO-UHFFFAOYSA-N 2 1 390.616 3.691 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C2 ZINC000852105978 878076866 /nfs/dbraw/zinc/07/68/66/878076866.db2.gz RMVWUWHOYMDOKG-IPJJNNNSSA-N 2 1 379.589 3.735 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C2 ZINC000852105978 878076882 /nfs/dbraw/zinc/07/68/82/878076882.db2.gz RMVWUWHOYMDOKG-IPJJNNNSSA-N 2 1 379.589 3.735 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C2 ZINC000852105978 878076899 /nfs/dbraw/zinc/07/68/99/878076899.db2.gz RMVWUWHOYMDOKG-IPJJNNNSSA-N 2 1 379.589 3.735 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000451540370 878104004 /nfs/dbraw/zinc/10/40/04/878104004.db2.gz WNIWLYZXMLEETM-JOCHJYFZSA-N 2 1 393.575 3.914 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000451540370 878104015 /nfs/dbraw/zinc/10/40/15/878104015.db2.gz WNIWLYZXMLEETM-JOCHJYFZSA-N 2 1 393.575 3.914 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000451540370 878104023 /nfs/dbraw/zinc/10/40/23/878104023.db2.gz WNIWLYZXMLEETM-JOCHJYFZSA-N 2 1 393.575 3.914 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000451540370 878104034 /nfs/dbraw/zinc/10/40/34/878104034.db2.gz WNIWLYZXMLEETM-JOCHJYFZSA-N 2 1 393.575 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000788526348 878158606 /nfs/dbraw/zinc/15/86/06/878158606.db2.gz PWLNCUTWCXXAQJ-NSISKUIASA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000788526346 878158677 /nfs/dbraw/zinc/15/86/77/878158677.db2.gz PWLNCUTWCXXAQJ-DBVUQKKJSA-N 2 1 377.573 3.629 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1nccc1-c1cccnc1 ZINC000179915245 878211544 /nfs/dbraw/zinc/21/15/44/878211544.db2.gz ZRUMTRQIGZZCRM-UHFFFAOYSA-N 2 1 376.508 3.536 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000245627653 878237990 /nfs/dbraw/zinc/23/79/90/878237990.db2.gz GYKUUBPMPNRVKE-DHIUTWEWSA-N 2 1 392.547 3.527 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245664419 878318974 /nfs/dbraw/zinc/31/89/74/878318974.db2.gz GJXFPHGPSQVNIE-WBDAEOGXSA-N 2 1 380.532 3.997 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000530714209 878332437 /nfs/dbraw/zinc/33/24/37/878332437.db2.gz STBAGNPSXPKMIF-UHFFFAOYSA-N 2 1 395.538 3.916 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(OC(F)F)cc1 ZINC000530714209 878332456 /nfs/dbraw/zinc/33/24/56/878332456.db2.gz STBAGNPSXPKMIF-UHFFFAOYSA-N 3 1 395.538 3.916 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(OC(F)F)cc1 ZINC000530714209 878332476 /nfs/dbraw/zinc/33/24/76/878332476.db2.gz STBAGNPSXPKMIF-UHFFFAOYSA-N 3 1 395.538 3.916 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000537840786 878368057 /nfs/dbraw/zinc/36/80/57/878368057.db2.gz GDZFYHANNYHPQK-HSZRJFAPSA-N 2 1 397.563 3.677 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C[NH+]1CCCC1 ZINC000616064612 878501823 /nfs/dbraw/zinc/50/18/23/878501823.db2.gz GDMXJPMYMTUUFY-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C[NH+]1CCCC1 ZINC000616064615 878501938 /nfs/dbraw/zinc/50/19/38/878501938.db2.gz GDMXJPMYMTUUFY-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000537990369 878635190 /nfs/dbraw/zinc/63/51/90/878635190.db2.gz KPNBUQKXAKVOPA-FDDCHVKYSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000537990369 878635197 /nfs/dbraw/zinc/63/51/97/878635197.db2.gz KPNBUQKXAKVOPA-FDDCHVKYSA-N 2 1 377.532 3.579 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3cccc(C)c3n2)CC1)CC(C)C ZINC000537995019 878680067 /nfs/dbraw/zinc/68/00/67/878680067.db2.gz JYMQEILMXUUWIF-UHFFFAOYSA-N 2 1 384.568 3.583 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000177437384 878704299 /nfs/dbraw/zinc/70/42/99/878704299.db2.gz GPVJZUYYOSGXKS-QFIPXVFZSA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000177437384 878704311 /nfs/dbraw/zinc/70/43/11/878704311.db2.gz GPVJZUYYOSGXKS-QFIPXVFZSA-N 2 1 387.543 3.703 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1F ZINC000245965383 878808087 /nfs/dbraw/zinc/80/80/87/878808087.db2.gz YWSJIMWCLDLUIR-MAUKXSAKSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1F ZINC000245965383 878808098 /nfs/dbraw/zinc/80/80/98/878808098.db2.gz YWSJIMWCLDLUIR-MAUKXSAKSA-N 2 1 387.474 3.513 20 0 GHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177702946 878819549 /nfs/dbraw/zinc/81/95/49/878819549.db2.gz TVUZHQIIRMMBDX-LJQANCHMSA-N 2 1 389.609 3.731 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000177849228 878885760 /nfs/dbraw/zinc/88/57/60/878885760.db2.gz ZWGNYYBEHQMVAX-PMACEKPBSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000177849228 878885771 /nfs/dbraw/zinc/88/57/71/878885771.db2.gz ZWGNYYBEHQMVAX-PMACEKPBSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000177849228 878885778 /nfs/dbraw/zinc/88/57/78/878885778.db2.gz ZWGNYYBEHQMVAX-PMACEKPBSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000853239192 878922441 /nfs/dbraw/zinc/92/24/41/878922441.db2.gz BXYZHMLUIVJCSF-SJLPKXTDSA-N 2 1 388.556 3.623 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000853239192 878922458 /nfs/dbraw/zinc/92/24/58/878922458.db2.gz BXYZHMLUIVJCSF-SJLPKXTDSA-N 2 1 388.556 3.623 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1Cc1ccco1 ZINC000531016209 878951214 /nfs/dbraw/zinc/95/12/14/878951214.db2.gz WRBKLWBDCBMISD-UHFFFAOYSA-N 2 1 385.552 3.981 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1Cc1ccco1 ZINC000531016209 878951224 /nfs/dbraw/zinc/95/12/24/878951224.db2.gz WRBKLWBDCBMISD-UHFFFAOYSA-N 2 1 385.552 3.981 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000152499695 879192557 /nfs/dbraw/zinc/19/25/57/879192557.db2.gz OSERGUJYCINABO-KNQAVFIVSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000152499695 879192563 /nfs/dbraw/zinc/19/25/63/879192563.db2.gz OSERGUJYCINABO-KNQAVFIVSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)CC1 ZINC000538304565 879221967 /nfs/dbraw/zinc/22/19/67/879221967.db2.gz IHNAULFVLVRLEP-IBGZPJMESA-N 2 1 391.003 3.541 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461359999 879666818 /nfs/dbraw/zinc/66/68/18/879666818.db2.gz KTNREZXQDBWMFC-NRFANRHFSA-N 2 1 386.584 3.657 20 0 GHADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000493890092 879704028 /nfs/dbraw/zinc/70/40/28/879704028.db2.gz ANBBDXVPSWVJPX-ZTCOLXNVSA-N 2 1 381.564 3.731 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430005 879799482 /nfs/dbraw/zinc/79/94/82/879799482.db2.gz KLMXBNTZYVNNNO-DNVJHFABSA-N 2 1 395.591 3.622 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430005 879799496 /nfs/dbraw/zinc/79/94/96/879799496.db2.gz KLMXBNTZYVNNNO-DNVJHFABSA-N 2 1 395.591 3.622 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461430005 879799512 /nfs/dbraw/zinc/79/95/12/879799512.db2.gz KLMXBNTZYVNNNO-DNVJHFABSA-N 2 1 395.591 3.622 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000494027654 879838370 /nfs/dbraw/zinc/83/83/70/879838370.db2.gz NNIVYYUZQVFALT-XXBNENTESA-N 2 1 377.532 3.675 20 0 GHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)C1 ZINC001170140149 879838725 /nfs/dbraw/zinc/83/87/25/879838725.db2.gz XSBVHFDJMGIHRX-HFGNEKBZSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001170140149 879838754 /nfs/dbraw/zinc/83/87/54/879838754.db2.gz XSBVHFDJMGIHRX-HFGNEKBZSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)C1 ZINC001170140149 879838762 /nfs/dbraw/zinc/83/87/62/879838762.db2.gz XSBVHFDJMGIHRX-HFGNEKBZSA-N 2 1 383.580 3.821 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000246974791 879869720 /nfs/dbraw/zinc/86/97/20/879869720.db2.gz JREAAMOZSYAYCM-HSZRJFAPSA-N 2 1 387.518 3.866 20 0 GHADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000247017580 879885013 /nfs/dbraw/zinc/88/50/13/879885013.db2.gz LOOUXKOFQKALJT-QZTJIDSGSA-N 2 1 384.520 3.775 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000247122757 879923607 /nfs/dbraw/zinc/92/36/07/879923607.db2.gz YXDURSFXQHGNGG-YPAWHYETSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000247122757 879923621 /nfs/dbraw/zinc/92/36/21/879923621.db2.gz YXDURSFXQHGNGG-YPAWHYETSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000247122757 879923631 /nfs/dbraw/zinc/92/36/31/879923631.db2.gz YXDURSFXQHGNGG-YPAWHYETSA-N 2 1 392.632 3.795 20 0 GHADMP CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000285989058 912527328 /nfs/dbraw/zinc/52/73/28/912527328.db2.gz IAEWBJLXSSYPCX-KMDXXIMOSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000531683048 880315063 /nfs/dbraw/zinc/31/50/63/880315063.db2.gz SJBSBDIFIWNKGU-XYPHTWIQSA-N 2 1 385.430 3.519 20 0 GHADMP CC1(C)C[N@@H+](C[C@H](O)CC(F)(F)F)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453005037 880318973 /nfs/dbraw/zinc/31/89/73/880318973.db2.gz ATXCFZTVSGTROS-RTBURBONSA-N 2 1 384.486 3.922 20 0 GHADMP C[C@@H](CCCc1cccnc1)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000453080396 880433575 /nfs/dbraw/zinc/43/35/75/880433575.db2.gz LRACBTDMPFCFDD-URXFXBBRSA-N 2 1 380.580 3.761 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000453080817 880436000 /nfs/dbraw/zinc/43/60/00/880436000.db2.gz KKJHQCUUKXSNLI-HLIPFELVSA-N 2 1 390.959 3.642 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccncn1 ZINC000453091777 880455417 /nfs/dbraw/zinc/45/54/17/880455417.db2.gz SLIVPQCCXSCQGY-HXUWFJFHSA-N 2 1 387.531 3.650 20 0 GHADMP Clc1ccccc1C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@H]1CCCO1 ZINC000453094038 880457347 /nfs/dbraw/zinc/45/73/47/880457347.db2.gz GJUBNTUWNCUOOR-NHCUHLMSSA-N 2 1 392.971 3.665 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453117059 880489751 /nfs/dbraw/zinc/48/97/51/880489751.db2.gz UNGKNAQGQJSBKQ-UYAOXDASSA-N 2 1 395.385 3.597 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc(-c4ccccc4)nn3C)CC2)nc(C)[nH+]1 ZINC000453142963 880541708 /nfs/dbraw/zinc/54/17/08/880541708.db2.gz UPJIBUCWVJHQFH-QGZVFWFLSA-N 2 1 390.535 3.814 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197630 880603281 /nfs/dbraw/zinc/60/32/81/880603281.db2.gz NZPCFBIROWEZIO-GCJKJVERSA-N 2 1 390.531 3.505 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1)N1CCCC1 ZINC000453207693 880619283 /nfs/dbraw/zinc/61/92/83/880619283.db2.gz GPYWKVJMVJPCDV-BAHGYDIPSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCO1 ZINC000453220475 880639360 /nfs/dbraw/zinc/63/93/60/880639360.db2.gz UEZLGFNANJIPMU-GNLZIIPMSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCO1 ZINC000453220475 880639362 /nfs/dbraw/zinc/63/93/62/880639362.db2.gz UEZLGFNANJIPMU-GNLZIIPMSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCO1 ZINC000453220475 880639364 /nfs/dbraw/zinc/63/93/64/880639364.db2.gz UEZLGFNANJIPMU-GNLZIIPMSA-N 2 1 385.596 3.520 20 0 GHADMP CCC1(C)CCC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000531939829 880795165 /nfs/dbraw/zinc/79/51/65/880795165.db2.gz HULYEXBDFCXMSY-UHFFFAOYSA-N 2 1 387.568 3.796 20 0 GHADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000532046288 880990816 /nfs/dbraw/zinc/99/08/16/880990816.db2.gz UZDURZKPUSBYEE-KRWDZBQOSA-N 2 1 395.519 3.736 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000132336235 881094408 /nfs/dbraw/zinc/09/44/08/881094408.db2.gz SSGWYJDVWVZKDI-OAQYLSRUSA-N 2 1 389.559 3.618 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000537622333 881098252 /nfs/dbraw/zinc/09/82/52/881098252.db2.gz WNFMEUNLIUAUFF-GBXCKJPGSA-N 2 1 393.575 3.820 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000537622333 881098271 /nfs/dbraw/zinc/09/82/71/881098271.db2.gz WNFMEUNLIUAUFF-GBXCKJPGSA-N 2 1 393.575 3.820 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000537622334 881098368 /nfs/dbraw/zinc/09/83/68/881098368.db2.gz WNFMEUNLIUAUFF-HYBUGGRVSA-N 2 1 393.575 3.820 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000537622334 881098384 /nfs/dbraw/zinc/09/83/84/881098384.db2.gz WNFMEUNLIUAUFF-HYBUGGRVSA-N 2 1 393.575 3.820 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CCCC[N@H+](C)C2CC2)cs1)c1ccc(F)cc1 ZINC000453592394 881113147 /nfs/dbraw/zinc/11/31/47/881113147.db2.gz DXYSPMPWEKVEMC-UHFFFAOYSA-N 2 1 390.528 3.931 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@H](C)C1 ZINC000187243662 881119817 /nfs/dbraw/zinc/11/98/17/881119817.db2.gz QPUGPRFJFBCRBU-XXBNENTESA-N 2 1 397.563 3.984 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@H](C)C1 ZINC000187243662 881119824 /nfs/dbraw/zinc/11/98/24/881119824.db2.gz QPUGPRFJFBCRBU-XXBNENTESA-N 2 1 397.563 3.984 20 0 GHADMP Cc1ccc(-n2cc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)c(C(C)(C)C)n2)cc1 ZINC000532092543 881122990 /nfs/dbraw/zinc/12/29/90/881122990.db2.gz BMBCSJJOKXOKQD-QFIPXVFZSA-N 2 1 398.595 3.805 20 0 GHADMP CCN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000135338631 883309447 /nfs/dbraw/zinc/30/94/47/883309447.db2.gz LSQBDDYCFSSHMM-SIKLNZKXSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000476988694 883522897 /nfs/dbraw/zinc/52/28/97/883522897.db2.gz TWZCYEUUQCYBKI-CTNGQTDRSA-N 2 1 399.579 3.884 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000476991015 883527468 /nfs/dbraw/zinc/52/74/68/883527468.db2.gz YCWKJSZKIXTCNS-QUCCMNQESA-N 2 1 378.532 3.542 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000494810426 883876249 /nfs/dbraw/zinc/87/62/49/883876249.db2.gz OBIRJIJPOMVKKX-VQQMMKBISA-N 2 1 378.532 3.772 20 0 GHADMP CCC[N@H+](C[C@@H](O)CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542508834 883897337 /nfs/dbraw/zinc/89/73/37/883897337.db2.gz VLOLALPNHWIGRI-QHCPKHFHSA-N 2 1 396.579 3.768 20 0 GHADMP CCC[N@@H+](C[C@@H](O)CCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000542508834 883897338 /nfs/dbraw/zinc/89/73/38/883897338.db2.gz VLOLALPNHWIGRI-QHCPKHFHSA-N 2 1 396.579 3.768 20 0 GHADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CCC[NH+]2Cc2ccccc21 ZINC000116710046 884037931 /nfs/dbraw/zinc/03/79/31/884037931.db2.gz UBXGDAYDCYYVCP-PKTZIBPZSA-N 2 1 389.543 3.910 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000116710046 884037948 /nfs/dbraw/zinc/03/79/48/884037948.db2.gz UBXGDAYDCYYVCP-PKTZIBPZSA-N 2 1 389.543 3.910 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000116710046 884037960 /nfs/dbraw/zinc/03/79/60/884037960.db2.gz UBXGDAYDCYYVCP-PKTZIBPZSA-N 2 1 389.543 3.910 20 0 GHADMP CCOc1ccc(NC(=O)CC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000130090465 884162789 /nfs/dbraw/zinc/16/27/89/884162789.db2.gz GGEYVIXNFLKAKE-UHFFFAOYSA-N 2 1 396.535 3.657 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000556218185 884169106 /nfs/dbraw/zinc/16/91/06/884169106.db2.gz QMYZAMZTHFEJSK-YKSBVNFPSA-N 2 1 379.548 3.523 20 0 GHADMP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465459695 884236354 /nfs/dbraw/zinc/23/63/54/884236354.db2.gz PYURVKVZXZXRBJ-OFNKIYASSA-N 2 1 394.563 3.595 20 0 GHADMP CC[C@@H]1CCCC[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476291116 884384713 /nfs/dbraw/zinc/38/47/13/884384713.db2.gz VOMOXZBOSLVWER-IRLDBZIGSA-N 2 1 377.617 3.858 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170500703 884403344 /nfs/dbraw/zinc/40/33/44/884403344.db2.gz ZBRMDEONKIRTLW-OZQHCQBDSA-N 2 1 379.589 3.827 20 0 GHADMP CN1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)[C@H](c2ccccc2)C1 ZINC000250375516 884601400 /nfs/dbraw/zinc/60/14/00/884601400.db2.gz KIPNYIPQLVZIGR-RTWAWAEBSA-N 2 1 396.535 3.505 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)cn1 ZINC000761913091 884957527 /nfs/dbraw/zinc/95/75/27/884957527.db2.gz SAPQUCILCLLLRK-UHFFFAOYSA-N 2 1 386.459 3.889 20 0 GHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498622219 885061886 /nfs/dbraw/zinc/06/18/86/885061886.db2.gz XEKYNHHUOFUNEA-GOTSBHOMSA-N 2 1 377.532 3.604 20 0 GHADMP CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478231 885077454 /nfs/dbraw/zinc/07/74/54/885077454.db2.gz QJWBMVUSTHUOAT-XLIONFOSSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478231 885077465 /nfs/dbraw/zinc/07/74/65/885077465.db2.gz QJWBMVUSTHUOAT-XLIONFOSSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478231 885077476 /nfs/dbraw/zinc/07/74/76/885077476.db2.gz QJWBMVUSTHUOAT-XLIONFOSSA-N 2 1 392.975 3.506 20 0 GHADMP Brc1cncc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000655766093 885332065 /nfs/dbraw/zinc/33/20/65/885332065.db2.gz MKOIPJMTYVBFFB-OALUTQOASA-N 2 1 394.357 3.528 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000080204380 885426789 /nfs/dbraw/zinc/42/67/89/885426789.db2.gz XWVIEHWESNNSBV-UHFFFAOYSA-N 2 1 392.632 3.937 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000303130350 885462530 /nfs/dbraw/zinc/46/25/30/885462530.db2.gz KFPKJKJLCQBDQG-SJBKTWHCSA-N 2 1 386.584 3.552 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)/C=C\c3ccc(SC)s3)CC2)CC1 ZINC000862019252 886054709 /nfs/dbraw/zinc/05/47/09/886054709.db2.gz ONOQLVHTZFPOQY-ALCCZGGFSA-N 2 1 393.622 3.502 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)/C=C\c3ccc(SC)s3)CC2)CC1 ZINC000862019252 886054720 /nfs/dbraw/zinc/05/47/20/886054720.db2.gz ONOQLVHTZFPOQY-ALCCZGGFSA-N 2 1 393.622 3.502 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000644095383 913034070 /nfs/dbraw/zinc/03/40/70/913034070.db2.gz KQEQGEQCNKJLJB-UHFFFAOYSA-N 2 1 377.532 3.675 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116536592 886500132 /nfs/dbraw/zinc/50/01/32/886500132.db2.gz AXUUNRLZJSVTAV-AQNXPRMDSA-N 2 1 386.584 3.632 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000499069434 886602818 /nfs/dbraw/zinc/60/28/18/886602818.db2.gz MXKPLXOJGNYAHI-MRXNPFEDSA-N 2 1 381.261 3.633 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000499069434 886602826 /nfs/dbraw/zinc/60/28/26/886602826.db2.gz MXKPLXOJGNYAHI-MRXNPFEDSA-N 2 1 381.261 3.633 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000556916738 886665862 /nfs/dbraw/zinc/66/58/62/886665862.db2.gz ZHDZVIQLXDQVFG-KOENEWCDSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000808725839 886709679 /nfs/dbraw/zinc/70/96/79/886709679.db2.gz HBZHXYLKPVODPD-VYJAJWGXSA-N 2 1 379.589 3.780 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168328261 886722936 /nfs/dbraw/zinc/72/29/36/886722936.db2.gz BZGOGWMIDAZKJC-CKUJCDMFSA-N 2 1 393.494 3.637 20 0 GHADMP Cc1cc(N2CCC([NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)CC2)nc(C)[nH+]1 ZINC000124287497 886724681 /nfs/dbraw/zinc/72/46/81/886724681.db2.gz WHNRDLWJAOJJIB-UHFFFAOYSA-N 2 1 388.556 3.552 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237080090 886908612 /nfs/dbraw/zinc/90/86/12/886908612.db2.gz XYIFDMAQYBOXJV-BHYGNILZSA-N 2 1 385.474 3.578 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCN(C)c2cc[nH+]cc2)cc1 ZINC000543714289 887203883 /nfs/dbraw/zinc/20/38/83/887203883.db2.gz NFGUGTQDSRZRHU-LJQANCHMSA-N 2 1 380.536 3.599 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc3ccc(Cl)cc3)C1)C2 ZINC001184405843 913193835 /nfs/dbraw/zinc/19/38/35/913193835.db2.gz MLQPIGZCZIUKFJ-WLRLJWMZSA-N 2 1 389.971 3.684 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc3ccc(Cl)cc3)C1)C2 ZINC001184405843 913193841 /nfs/dbraw/zinc/19/38/41/913193841.db2.gz MLQPIGZCZIUKFJ-WLRLJWMZSA-N 2 1 389.971 3.684 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3ccc(Cl)cc3)C1)C2 ZINC001184405843 913193851 /nfs/dbraw/zinc/19/38/51/913193851.db2.gz MLQPIGZCZIUKFJ-WLRLJWMZSA-N 2 1 389.971 3.684 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000763211314 888305766 /nfs/dbraw/zinc/30/57/66/888305766.db2.gz QTCODVJYHXEZTJ-LJQANCHMSA-N 2 1 389.584 3.630 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000763211314 888305782 /nfs/dbraw/zinc/30/57/82/888305782.db2.gz QTCODVJYHXEZTJ-LJQANCHMSA-N 2 1 389.584 3.630 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000763211314 888305801 /nfs/dbraw/zinc/30/58/01/888305801.db2.gz QTCODVJYHXEZTJ-LJQANCHMSA-N 2 1 389.584 3.630 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000810261541 888325667 /nfs/dbraw/zinc/32/56/67/888325667.db2.gz FBEMTHSXBHORAB-MTQWCTHYSA-N 2 1 397.604 3.501 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000810261541 888325677 /nfs/dbraw/zinc/32/56/77/888325677.db2.gz FBEMTHSXBHORAB-MTQWCTHYSA-N 2 1 397.604 3.501 20 0 GHADMP CCCCCC[C@H](CC)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001170601255 888348295 /nfs/dbraw/zinc/34/82/95/888348295.db2.gz YCWHQVKLIPFGHQ-PZJWPPBQSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCCC[C@H](CC)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001170601255 888348309 /nfs/dbraw/zinc/34/83/09/888348309.db2.gz YCWHQVKLIPFGHQ-PZJWPPBQSA-N 2 1 391.604 3.576 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1Cl ZINC000659291309 888433078 /nfs/dbraw/zinc/43/30/78/888433078.db2.gz GNPPSIVZGRJONI-RDTXWAMCSA-N 2 1 384.351 3.731 20 0 GHADMP [NH3+]C1(CC(=O)Nc2cccc(N3CCCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000638073173 888467561 /nfs/dbraw/zinc/46/75/61/888467561.db2.gz CGBKMHMXVIWVFN-UHFFFAOYSA-N 2 1 392.547 3.609 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)CC2)[nH+]c1 ZINC000194112100 888546636 /nfs/dbraw/zinc/54/66/36/888546636.db2.gz BAVGHXZMHATGHB-UHFFFAOYSA-N 2 1 378.520 3.841 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000810549144 888644106 /nfs/dbraw/zinc/64/41/06/888644106.db2.gz HRWTWIVDHCLZQB-JOCHJYFZSA-N 2 1 376.516 3.654 20 0 GHADMP C[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454326773 888855565 /nfs/dbraw/zinc/85/55/65/888855565.db2.gz SLLCPAZVIFFLML-LJQANCHMSA-N 2 1 380.536 3.734 20 0 GHADMP c1ccc(C[NH+]2CCC(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000866469465 888896173 /nfs/dbraw/zinc/89/61/73/888896173.db2.gz IOZGQRFORFWQDC-DEOSSOPVSA-N 3 1 385.596 3.522 20 0 GHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168511136 889234841 /nfs/dbraw/zinc/23/48/41/889234841.db2.gz ANKRANZWMFWNMT-PFSRBDOWSA-N 2 1 379.467 3.519 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000532950889 889364888 /nfs/dbraw/zinc/36/48/88/889364888.db2.gz VFHGFXRQTPXOOB-AWEZNQCLSA-N 2 1 392.544 3.815 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000532950889 889364898 /nfs/dbraw/zinc/36/48/98/889364898.db2.gz VFHGFXRQTPXOOB-AWEZNQCLSA-N 2 1 392.544 3.815 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000124730169 889739215 /nfs/dbraw/zinc/73/92/15/889739215.db2.gz VNCFEPSVMGLDJP-FQEVSTJZSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000124730169 889739224 /nfs/dbraw/zinc/73/92/24/889739224.db2.gz VNCFEPSVMGLDJP-FQEVSTJZSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000124730169 889739233 /nfs/dbraw/zinc/73/92/33/889739233.db2.gz VNCFEPSVMGLDJP-FQEVSTJZSA-N 2 1 388.600 3.694 20 0 GHADMP Cc1cccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1C ZINC000125000750 889842256 /nfs/dbraw/zinc/84/22/56/889842256.db2.gz JOJMZEKZNJTYEW-FQEVSTJZSA-N 2 1 395.547 3.815 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000533270765 890135129 /nfs/dbraw/zinc/13/51/29/890135129.db2.gz LWESHOFDHIGWLT-KRWDZBQOSA-N 2 1 375.582 3.566 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000533270765 890135136 /nfs/dbraw/zinc/13/51/36/890135136.db2.gz LWESHOFDHIGWLT-KRWDZBQOSA-N 2 1 375.582 3.566 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000455110968 890363076 /nfs/dbraw/zinc/36/30/76/890363076.db2.gz GMYBIPMLBDOLNU-UYAOXDASSA-N 2 1 392.613 3.696 20 0 GHADMP CCC[N@H+](Cc1ccc(OC(C)=O)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000123175591 890388952 /nfs/dbraw/zinc/38/89/52/890388952.db2.gz YRLTVMHIEHZAPB-UHFFFAOYSA-N 2 1 396.535 3.900 20 0 GHADMP CCC[N@@H+](Cc1ccc(OC(C)=O)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000123175591 890388967 /nfs/dbraw/zinc/38/89/67/890388967.db2.gz YRLTVMHIEHZAPB-UHFFFAOYSA-N 2 1 396.535 3.900 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000917008531 890735288 /nfs/dbraw/zinc/73/52/88/890735288.db2.gz LVYVWBOXKLDBMA-WZONZLPQSA-N 2 1 398.547 3.759 20 0 GHADMP CC1CCC2(CC1)OC[C@@H](C[NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)O2 ZINC000812842630 891029781 /nfs/dbraw/zinc/02/97/81/891029781.db2.gz NQSSCSWZJVXNHC-PDGCRQIGSA-N 2 1 390.543 3.744 20 0 GHADMP [NH3+]C1(Cc2nc(-c3ccc4cc[nH]c4c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872176524 891198956 /nfs/dbraw/zinc/19/89/56/891198956.db2.gz RHZYXCURRSQMSM-UHFFFAOYSA-N 2 1 387.487 3.754 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246485165 891274150 /nfs/dbraw/zinc/27/41/50/891274150.db2.gz DKBZSGJRJHYWME-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C[NH+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246485165 891274163 /nfs/dbraw/zinc/27/41/63/891274163.db2.gz DKBZSGJRJHYWME-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C[NH+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246485165 891274175 /nfs/dbraw/zinc/27/41/75/891274175.db2.gz DKBZSGJRJHYWME-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000075537013 891309028 /nfs/dbraw/zinc/30/90/28/891309028.db2.gz AHUJNRJALXARQK-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000067539809 891344728 /nfs/dbraw/zinc/34/47/28/891344728.db2.gz VTQPTMCUHJAOOR-UHFFFAOYSA-N 2 1 394.563 3.602 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cnn(Cc4ccccc4)c3)CC2)[nH+]1 ZINC000128208690 891482215 /nfs/dbraw/zinc/48/22/15/891482215.db2.gz ZWNKSVWPSOWFJO-IBGZPJMESA-N 2 1 375.520 3.954 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000873227552 891532936 /nfs/dbraw/zinc/53/29/36/891532936.db2.gz JDXAZJZTLURVMO-FZMZJTMJSA-N 2 1 392.347 3.665 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000873227552 891532941 /nfs/dbraw/zinc/53/29/41/891532941.db2.gz JDXAZJZTLURVMO-FZMZJTMJSA-N 2 1 392.347 3.665 20 0 GHADMP c1sc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1-c1ccncc1 ZINC000873283254 891559633 /nfs/dbraw/zinc/55/96/33/891559633.db2.gz PMAHNTAMKZFYMV-LAUBAEHRSA-N 2 1 378.501 3.551 20 0 GHADMP CN(C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000497468595 891639410 /nfs/dbraw/zinc/63/94/10/891639410.db2.gz RDUUZVGITNWGHO-AIZNXBIQSA-N 2 1 398.595 3.829 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)[C@@H]2CCC[C@H]21 ZINC000813877763 892057345 /nfs/dbraw/zinc/05/73/45/892057345.db2.gz CYFUDSWHPCMOJG-YDZRNGNQSA-N 2 1 377.573 3.771 20 0 GHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261682968 892075045 /nfs/dbraw/zinc/07/50/45/892075045.db2.gz BYJIMXVLHLYPGJ-JOCHJYFZSA-N 2 1 397.950 3.725 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC000497685507 892192399 /nfs/dbraw/zinc/19/23/99/892192399.db2.gz FNPOEYPNPUAKDZ-SESVDKBCSA-N 2 1 386.584 3.632 20 0 GHADMP CCN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262168632 892236491 /nfs/dbraw/zinc/23/64/91/892236491.db2.gz ANPWHJBQKABZSO-HPMIRVNYSA-N 2 1 383.580 3.824 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1)C1CC1 ZINC000262211593 892255208 /nfs/dbraw/zinc/25/52/08/892255208.db2.gz DYTATAKWDKRUGV-UHFFFAOYSA-N 2 1 384.549 3.847 20 0 GHADMP O=c1sc2c(n1C[N@@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CCCC2 ZINC000814224370 892417074 /nfs/dbraw/zinc/41/70/74/892417074.db2.gz FDJACHNCROREMB-UHFFFAOYSA-N 2 1 397.588 3.734 20 0 GHADMP O=c1sc2c(n1C[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CCCC2 ZINC000814224370 892417082 /nfs/dbraw/zinc/41/70/82/892417082.db2.gz FDJACHNCROREMB-UHFFFAOYSA-N 2 1 397.588 3.734 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645106064 913676806 /nfs/dbraw/zinc/67/68/06/913676806.db2.gz GIFJGNMWHVUTLI-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700925 892695113 /nfs/dbraw/zinc/69/51/13/892695113.db2.gz VJSDFDUOFZVVDN-UGKGYDQZSA-N 2 1 380.532 3.891 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000129068049 892978317 /nfs/dbraw/zinc/97/83/17/892978317.db2.gz WPJWSJOYOKOXGL-HNAYVOBHSA-N 2 1 397.485 3.689 20 0 GHADMP C[C@@H](NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722727 892987141 /nfs/dbraw/zinc/98/71/41/892987141.db2.gz UGMPFGNGSORXQB-YKSBVNFPSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722727 892987148 /nfs/dbraw/zinc/98/71/48/892987148.db2.gz UGMPFGNGSORXQB-YKSBVNFPSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722727 892987154 /nfs/dbraw/zinc/98/71/54/892987154.db2.gz UGMPFGNGSORXQB-YKSBVNFPSA-N 2 1 377.576 3.586 20 0 GHADMP Cc1sccc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000508742875 893119363 /nfs/dbraw/zinc/11/93/63/893119363.db2.gz HPOVTXXJBCRADY-UHFFFAOYSA-N 2 1 385.577 3.517 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000562980100 893242263 /nfs/dbraw/zinc/24/22/63/893242263.db2.gz NFYNZHOANDWNKX-FQEVSTJZSA-N 2 1 389.421 3.683 20 0 GHADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000876719727 893300975 /nfs/dbraw/zinc/30/09/75/893300975.db2.gz TUKSCGVMMNHXRA-UTKZUKDTSA-N 2 1 395.551 3.600 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)[C@H](C)C1 ZINC000459405567 893438805 /nfs/dbraw/zinc/43/88/05/893438805.db2.gz BISLBMGSUXJPNT-QAPCUYQASA-N 2 1 384.948 3.671 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)[C@H](C)C1 ZINC000459405567 893438812 /nfs/dbraw/zinc/43/88/12/893438812.db2.gz BISLBMGSUXJPNT-QAPCUYQASA-N 2 1 384.948 3.671 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000877031479 893447700 /nfs/dbraw/zinc/44/77/00/893447700.db2.gz WFHCDCKNOLPTCM-WSTZPKSXSA-N 2 1 398.938 3.576 20 0 GHADMP CCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000563267821 893546261 /nfs/dbraw/zinc/54/62/61/893546261.db2.gz AHGOFASDPRTGHF-UHFFFAOYSA-N 2 1 391.559 3.849 20 0 GHADMP FC1(F)CCC(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000459462373 893575384 /nfs/dbraw/zinc/57/53/84/893575384.db2.gz LEJPRSPOQDKENQ-OAQYLSRUSA-N 2 1 377.523 3.704 20 0 GHADMP Cc1nnc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459524217 893727045 /nfs/dbraw/zinc/72/70/45/893727045.db2.gz BCCUHOQSMNKOJA-JOCHJYFZSA-N 2 1 381.568 3.780 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459530355 893741519 /nfs/dbraw/zinc/74/15/19/893741519.db2.gz PKYLIHUZHPXTHL-IFMALSPDSA-N 2 1 379.548 3.523 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000563504827 893839554 /nfs/dbraw/zinc/83/95/54/893839554.db2.gz RSAWSAJWTJSHPT-PKOBYXMFSA-N 2 1 378.520 3.712 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221223 893849273 /nfs/dbraw/zinc/84/92/73/893849273.db2.gz LNJKYSMULLRTQC-NLWGTHIKSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@H](CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000686224013 893867143 /nfs/dbraw/zinc/86/71/43/893867143.db2.gz SOOYVDVLWLSPNX-QZTJIDSGSA-N 2 1 375.557 3.742 20 0 GHADMP COCC[NH+]1CCC([NH2+]CCc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000536825609 893896573 /nfs/dbraw/zinc/89/65/73/893896573.db2.gz IDSWLCFEIUQYNU-UHFFFAOYSA-N 2 1 384.520 3.730 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459647840 893973978 /nfs/dbraw/zinc/97/39/78/893973978.db2.gz KMYAMVQYWZJBBR-GOSISDBHSA-N 2 1 394.441 3.757 20 0 GHADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537045787 894261328 /nfs/dbraw/zinc/26/13/28/894261328.db2.gz AJKLBVRUTCPKLH-IBGZPJMESA-N 2 1 382.390 3.858 20 0 GHADMP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)cc(Br)c1OC(F)F ZINC000563890891 894300282 /nfs/dbraw/zinc/30/02/82/894300282.db2.gz LYCIBNLGVPVKBJ-UHFFFAOYSA-N 2 1 393.272 3.620 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000455849021 894563518 /nfs/dbraw/zinc/56/35/18/894563518.db2.gz CRISWIRVLBQCIL-QHCPKHFHSA-N 2 1 392.547 3.628 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000564207242 894723113 /nfs/dbraw/zinc/72/31/13/894723113.db2.gz GSZDJLQNOAQUFL-YZGWKJHDSA-N 2 1 385.577 3.973 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537406123 894923327 /nfs/dbraw/zinc/92/33/27/894923327.db2.gz BPDXLAOAVHOBAW-VQTJNVASSA-N 2 1 383.502 3.959 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816552108 894937972 /nfs/dbraw/zinc/93/79/72/894937972.db2.gz AWXIHEIZSDXPCL-FCEWJHQRSA-N 2 1 393.597 3.976 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816552108 894937985 /nfs/dbraw/zinc/93/79/85/894937985.db2.gz AWXIHEIZSDXPCL-FCEWJHQRSA-N 2 1 393.597 3.976 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000645467495 913919208 /nfs/dbraw/zinc/91/92/08/913919208.db2.gz CLTODBXUELKCTH-OYDLWJJNSA-N 2 1 387.531 3.658 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000645467495 913919218 /nfs/dbraw/zinc/91/92/18/913919218.db2.gz CLTODBXUELKCTH-OYDLWJJNSA-N 2 1 387.531 3.658 20 0 GHADMP CN(C(=O)CC(C)(C)CC(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000879290083 894955658 /nfs/dbraw/zinc/95/56/58/894955658.db2.gz AGXPCEQADUDKMK-ZWKOTPCHSA-N 2 1 387.559 3.854 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000879319943 894984521 /nfs/dbraw/zinc/98/45/21/894984521.db2.gz CZBVJKJHZLSGCV-IBGZPJMESA-N 2 1 380.536 3.701 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000564499698 895039552 /nfs/dbraw/zinc/03/95/52/895039552.db2.gz XEIBJFSNFBXLRP-HSZRJFAPSA-N 2 1 383.536 3.680 20 0 GHADMP CN(C)c1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564589498 895103740 /nfs/dbraw/zinc/10/37/40/895103740.db2.gz VTJUIFQPHVFUJT-HSZRJFAPSA-N 2 1 393.575 3.771 20 0 GHADMP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]nc21 ZINC001137146259 895265754 /nfs/dbraw/zinc/26/57/54/895265754.db2.gz DVTQAJRWEXEHQK-ZEYPLWLESA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]nc21 ZINC001137146259 895265763 /nfs/dbraw/zinc/26/57/63/895265763.db2.gz DVTQAJRWEXEHQK-ZEYPLWLESA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)[nH]nc21 ZINC001137146259 895265774 /nfs/dbraw/zinc/26/57/74/895265774.db2.gz DVTQAJRWEXEHQK-ZEYPLWLESA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)[nH]nc21 ZINC001137146259 895265784 /nfs/dbraw/zinc/26/57/84/895265784.db2.gz DVTQAJRWEXEHQK-ZEYPLWLESA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)c(C(C)C)cc1Cl ZINC000564871897 895291820 /nfs/dbraw/zinc/29/18/20/895291820.db2.gz GKGUXRSNDVWTTO-SJLPKXTDSA-N 2 1 380.960 3.752 20 0 GHADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000564939499 895315849 /nfs/dbraw/zinc/31/58/49/895315849.db2.gz CEVBJLGARRVELL-QUCCMNQESA-N 2 1 398.378 3.982 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817293786 895467155 /nfs/dbraw/zinc/46/71/55/895467155.db2.gz SFRVZENRUSDCQV-LMMKCTJWSA-N 2 1 378.561 3.843 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817293786 895467160 /nfs/dbraw/zinc/46/71/60/895467160.db2.gz SFRVZENRUSDCQV-LMMKCTJWSA-N 2 1 378.561 3.843 20 0 GHADMP CN1CCC[C@H]2[C@H]1CC[NH+]2CCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880137692 895537365 /nfs/dbraw/zinc/53/73/65/895537365.db2.gz JAQSBZRHHSVEBJ-NVPYSNMXSA-N 2 1 390.660 3.664 20 0 GHADMP CN1CCC[C@H]2[C@H]1CC[N@H+]2CCCCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C ZINC000880137692 895537369 /nfs/dbraw/zinc/53/73/69/895537369.db2.gz JAQSBZRHHSVEBJ-NVPYSNMXSA-N 2 1 390.660 3.664 20 0 GHADMP CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCCCCC[NH+]1CC[C@H]2[C@H]1CCCN2C ZINC000880137692 895537372 /nfs/dbraw/zinc/53/73/72/895537372.db2.gz JAQSBZRHHSVEBJ-NVPYSNMXSA-N 2 1 390.660 3.664 20 0 GHADMP CCN(C(=O)NCc1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000565349361 895555893 /nfs/dbraw/zinc/55/58/93/895555893.db2.gz NHUXBBFKDKVGRV-AVRDEDQJSA-N 2 1 391.519 3.701 20 0 GHADMP FC(F)Sc1nc2ccccc2n1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000023848700 895590591 /nfs/dbraw/zinc/59/05/91/895590591.db2.gz YCNUVZCRFFZBLN-UHFFFAOYSA-N 2 1 375.448 3.526 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)C[C@@H](C)O1 ZINC000565473830 895659651 /nfs/dbraw/zinc/65/96/51/895659651.db2.gz JMOYCMGZYMKPNT-GVKUHWBJSA-N 2 1 394.506 3.568 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000566229501 896190718 /nfs/dbraw/zinc/19/07/18/896190718.db2.gz DHGVBRXGUVQWOO-KBPBESRZSA-N 2 1 378.339 3.614 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000566229501 896190726 /nfs/dbraw/zinc/19/07/26/896190726.db2.gz DHGVBRXGUVQWOO-KBPBESRZSA-N 2 1 378.339 3.614 20 0 GHADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1Cl ZINC000818962929 896268775 /nfs/dbraw/zinc/26/87/75/896268775.db2.gz AZBNSYGVJHDGQZ-ZQIUZPCESA-N 2 1 387.749 3.526 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000566435155 896310243 /nfs/dbraw/zinc/31/02/43/896310243.db2.gz FPCNDFXCVYQGPS-HXUWFJFHSA-N 2 1 377.960 3.714 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)nc1)CC2 ZINC001137165612 896320924 /nfs/dbraw/zinc/32/09/24/896320924.db2.gz QLTXYDBWGRCGNN-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000818968703 896327768 /nfs/dbraw/zinc/32/77/68/896327768.db2.gz FOMLEQVLWHYITH-GOSISDBHSA-N 2 1 387.337 3.648 20 0 GHADMP CCSc1ccc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000881487273 896356034 /nfs/dbraw/zinc/35/60/34/896356034.db2.gz BJMSMAIRZUAPGC-UHFFFAOYSA-N 2 1 389.609 3.611 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000566535102 896359568 /nfs/dbraw/zinc/35/95/68/896359568.db2.gz SLYRZJUWNYCEQU-XZOQPEGZSA-N 2 1 383.580 3.751 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000566578881 896390377 /nfs/dbraw/zinc/39/03/77/896390377.db2.gz GFESDFWFUKIPEB-IPJJNNNSSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778554269 896574066 /nfs/dbraw/zinc/57/40/66/896574066.db2.gz VLMSYRHYASZKLS-CDXJDZJCSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778554269 896574078 /nfs/dbraw/zinc/57/40/78/896574078.db2.gz VLMSYRHYASZKLS-CDXJDZJCSA-N 2 1 399.485 3.570 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)c3ccc(F)cc3F)cc2)CC1 ZINC000819443614 896676491 /nfs/dbraw/zinc/67/64/91/896676491.db2.gz ADSLBQGXHRTAPJ-QFIPXVFZSA-N 2 1 389.490 3.888 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)CC1 ZINC000566978346 896762084 /nfs/dbraw/zinc/76/20/84/896762084.db2.gz HOARSKDUUPEQLQ-JPYJTQIMSA-N 2 1 385.527 3.569 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931149 896844310 /nfs/dbraw/zinc/84/43/10/896844310.db2.gz MVCKCWJFSPKATL-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931149 896844320 /nfs/dbraw/zinc/84/43/20/896844320.db2.gz MVCKCWJFSPKATL-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170931149 896844331 /nfs/dbraw/zinc/84/43/31/896844331.db2.gz MVCKCWJFSPKATL-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP CCOc1cc(CNC2(CCO)CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000567291044 897038154 /nfs/dbraw/zinc/03/81/54/897038154.db2.gz SBFNKSAZAUGAQL-UHFFFAOYSA-N 2 1 398.547 3.601 20 0 GHADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCc1ccc(Cl)cc1Cl ZINC001276324003 914131499 /nfs/dbraw/zinc/13/14/99/914131499.db2.gz JHFGQBLBRMBCCJ-HXUWFJFHSA-N 2 1 398.378 3.555 20 0 GHADMP Brc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000567504975 897208689 /nfs/dbraw/zinc/20/86/89/897208689.db2.gz IDAVQTJFZHKVHM-HZPDHXFCSA-N 2 1 390.325 3.926 20 0 GHADMP CN(C)c1nc(N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc[nH+]1 ZINC000567621190 897297181 /nfs/dbraw/zinc/29/71/81/897297181.db2.gz BDVUMDDVNDBUGC-WQHGSSGSSA-N 2 1 385.943 3.644 20 0 GHADMP CN(C)c1nc(N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc[nH+]1 ZINC000567621190 897297194 /nfs/dbraw/zinc/29/71/94/897297194.db2.gz BDVUMDDVNDBUGC-WQHGSSGSSA-N 2 1 385.943 3.644 20 0 GHADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567674703 897329687 /nfs/dbraw/zinc/32/96/87/897329687.db2.gz YMQJJJKBPFTDJL-AWEZNQCLSA-N 2 1 396.564 3.863 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)CC[NH2+]2)cc1 ZINC000567710225 897350952 /nfs/dbraw/zinc/35/09/52/897350952.db2.gz WWAVCWWPWBBPPV-LEWJYISDSA-N 2 1 394.515 3.546 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1 ZINC000883285330 897445807 /nfs/dbraw/zinc/44/58/07/897445807.db2.gz MEEOLZXQNWSYLY-MRXNPFEDSA-N 2 1 375.476 3.561 20 0 GHADMP CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000805754700 897522028 /nfs/dbraw/zinc/52/20/28/897522028.db2.gz ZSQGPEFMRAJIPE-GOSISDBHSA-N 2 1 384.476 3.569 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(F)cccc2OC(F)(F)F)C[C@H](C)O1 ZINC000568125482 897615589 /nfs/dbraw/zinc/61/55/89/897615589.db2.gz CEOPRXDMFAKHKU-OKILXGFUSA-N 2 1 378.410 3.703 20 0 GHADMP Cc1cc(C[N@@H+](CCCc2c[nH+]cn2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000568167229 897650570 /nfs/dbraw/zinc/65/05/70/897650570.db2.gz CHFVMUVMFBQQKS-UHFFFAOYSA-N 2 1 384.572 3.600 20 0 GHADMP Cc1cc(C[N@H+](CCCc2c[nH+]cn2C)CC(C)C)nc(N2CCCCC2)n1 ZINC000568167229 897650573 /nfs/dbraw/zinc/65/05/73/897650573.db2.gz CHFVMUVMFBQQKS-UHFFFAOYSA-N 2 1 384.572 3.600 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000028311465 897752129 /nfs/dbraw/zinc/75/21/29/897752129.db2.gz XEPCYWAAJWRHHY-SFHVURJKSA-N 2 1 398.551 3.603 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000028311465 897752141 /nfs/dbraw/zinc/75/21/41/897752141.db2.gz XEPCYWAAJWRHHY-SFHVURJKSA-N 2 1 398.551 3.603 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccco1 ZINC001136456013 897905534 /nfs/dbraw/zinc/90/55/34/897905534.db2.gz UKUWGZMWKVIWLA-FCHUYYIVSA-N 2 1 397.563 3.733 20 0 GHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568644400 898003922 /nfs/dbraw/zinc/00/39/22/898003922.db2.gz HYIMLEAGUOQTNQ-OAQYLSRUSA-N 2 1 395.572 3.696 20 0 GHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568644400 898003934 /nfs/dbraw/zinc/00/39/34/898003934.db2.gz HYIMLEAGUOQTNQ-OAQYLSRUSA-N 2 1 395.572 3.696 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774960647 914241625 /nfs/dbraw/zinc/24/16/25/914241625.db2.gz DWKPVCDERZGATN-NSHDSACASA-N 2 1 379.327 3.990 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000110387944 898700305 /nfs/dbraw/zinc/70/03/05/898700305.db2.gz GICUWODNSMJPQS-NOTZXAQLSA-N 2 1 377.532 3.674 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(SC)cc3)CC2)CC1 ZINC000569504426 898721997 /nfs/dbraw/zinc/72/19/97/898721997.db2.gz WDIKXFAYWGTGHX-QGZVFWFLSA-N 2 1 389.609 3.782 20 0 GHADMP CC(C)[C@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)[C@@H](C)[NH3+] ZINC000822977133 898769585 /nfs/dbraw/zinc/76/95/85/898769585.db2.gz PGVMUXNBQWASGN-KDOFPFPSSA-N 2 1 391.947 3.619 20 0 GHADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000646140229 914282807 /nfs/dbraw/zinc/28/28/07/914282807.db2.gz INARIGCYJJGDKI-LADGPHEKSA-N 2 1 377.532 3.510 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823399935 899010873 /nfs/dbraw/zinc/01/08/73/899010873.db2.gz SVZDYMCJKGAWEU-UGKGYDQZSA-N 2 1 379.589 3.687 20 0 GHADMP CCOC(=O)c1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[nH]c1C ZINC000823555337 899109987 /nfs/dbraw/zinc/10/99/87/899109987.db2.gz VVOMNUYRCBTHKN-UHFFFAOYSA-N 2 1 398.551 3.890 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000772875443 899221044 /nfs/dbraw/zinc/22/10/44/899221044.db2.gz LVHPIZMCYQUBND-UYAOXDASSA-N 2 1 397.604 3.644 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045875 899392960 /nfs/dbraw/zinc/39/29/60/899392960.db2.gz SFIPBRINIKLTQX-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045875 899392975 /nfs/dbraw/zinc/39/29/75/899392975.db2.gz SFIPBRINIKLTQX-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045875 899392982 /nfs/dbraw/zinc/39/29/82/899392982.db2.gz SFIPBRINIKLTQX-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570570944 899398519 /nfs/dbraw/zinc/39/85/19/899398519.db2.gz UMXFUNAMYHWGNH-KZNAEPCWSA-N 2 1 390.597 3.519 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)c2)CC1 ZINC000570594152 899419638 /nfs/dbraw/zinc/41/96/38/899419638.db2.gz YIRQAGJVIKRAEE-UHFFFAOYSA-N 2 1 389.503 3.794 20 0 GHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C[NH3+] ZINC000570727645 899538458 /nfs/dbraw/zinc/53/84/58/899538458.db2.gz SBBGSCTXCQLCFB-MCIONIFRSA-N 2 1 378.314 3.909 20 0 GHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C[NH3+] ZINC000570727645 899538462 /nfs/dbraw/zinc/53/84/62/899538462.db2.gz SBBGSCTXCQLCFB-MCIONIFRSA-N 2 1 378.314 3.909 20 0 GHADMP CCC[C@@]1(CO)CC[N@@H+](Cc2cccc(C[NH+]3CC[C@@](CO)(CCC)C3)c2)C1 ZINC000571083634 899735643 /nfs/dbraw/zinc/73/56/43/899735643.db2.gz GHRMRQNWBUPHQK-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CCC[C@@]1(CO)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@](CO)(CCC)C3)c2)C1 ZINC000571083634 899735652 /nfs/dbraw/zinc/73/56/52/899735652.db2.gz GHRMRQNWBUPHQK-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP CCC[C@@]1(CO)CC[NH+](Cc2cccc(C[N@H+]3CC[C@@](CO)(CCC)C3)c2)C1 ZINC000571083634 899735660 /nfs/dbraw/zinc/73/56/60/899735660.db2.gz GHRMRQNWBUPHQK-PSWAGMNNSA-N 2 1 388.596 3.656 20 0 GHADMP FC(F)COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001136935868 899809128 /nfs/dbraw/zinc/80/91/28/899809128.db2.gz XELODJNYPILNAS-CALCHBBNSA-N 2 1 378.488 3.956 20 0 GHADMP FC(F)COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001136935868 899809141 /nfs/dbraw/zinc/80/91/41/899809141.db2.gz XELODJNYPILNAS-CALCHBBNSA-N 2 1 378.488 3.956 20 0 GHADMP FC(F)COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001136935868 899809148 /nfs/dbraw/zinc/80/91/48/899809148.db2.gz XELODJNYPILNAS-CALCHBBNSA-N 2 1 378.488 3.956 20 0 GHADMP FC(F)COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001136935868 899809158 /nfs/dbraw/zinc/80/91/58/899809158.db2.gz XELODJNYPILNAS-CALCHBBNSA-N 2 1 378.488 3.956 20 0 GHADMP C[C@@H]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000824930071 899893975 /nfs/dbraw/zinc/89/39/75/899893975.db2.gz ZZAJHSIDJLPITM-QZTJIDSGSA-N 2 1 382.556 3.637 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824947441 899900888 /nfs/dbraw/zinc/90/08/88/899900888.db2.gz NPUKYDXREMLNEO-ROUUACIJSA-N 2 1 390.535 3.949 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571924043 900009168 /nfs/dbraw/zinc/00/91/68/900009168.db2.gz HZQPEPUFPNBLMC-WOJBJXKFSA-N 2 1 398.595 3.776 20 0 GHADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000571924043 900009175 /nfs/dbraw/zinc/00/91/75/900009175.db2.gz HZQPEPUFPNBLMC-WOJBJXKFSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001137208881 900028895 /nfs/dbraw/zinc/02/88/95/900028895.db2.gz OZAFGDVKHLIZRH-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001137208881 900028901 /nfs/dbraw/zinc/02/89/01/900028901.db2.gz OZAFGDVKHLIZRH-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC001137208881 900028908 /nfs/dbraw/zinc/02/89/08/900028908.db2.gz OZAFGDVKHLIZRH-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC001137208881 900028915 /nfs/dbraw/zinc/02/89/15/900028915.db2.gz OZAFGDVKHLIZRH-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc2c1COC2 ZINC001137024003 900112371 /nfs/dbraw/zinc/11/23/71/900112371.db2.gz NADSZNOHNMQEFP-RPBOFIJWSA-N 2 1 396.575 3.677 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc2c1COC2 ZINC001137024003 900112375 /nfs/dbraw/zinc/11/23/75/900112375.db2.gz NADSZNOHNMQEFP-RPBOFIJWSA-N 2 1 396.575 3.677 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc2c1COC2 ZINC001137024003 900112380 /nfs/dbraw/zinc/11/23/80/900112380.db2.gz NADSZNOHNMQEFP-RPBOFIJWSA-N 2 1 396.575 3.677 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc2c1COC2 ZINC001137024003 900112385 /nfs/dbraw/zinc/11/23/85/900112385.db2.gz NADSZNOHNMQEFP-RPBOFIJWSA-N 2 1 396.575 3.677 20 0 GHADMP CN(c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000825504045 900202352 /nfs/dbraw/zinc/20/23/52/900202352.db2.gz MTZKRRRFTZTRHK-HSZRJFAPSA-N 2 1 398.595 3.953 20 0 GHADMP C[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572948615 900322904 /nfs/dbraw/zinc/32/29/04/900322904.db2.gz JRTYEXYULDKHMO-YLJYHZDGSA-N 2 1 384.495 3.735 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)CC1 ZINC000573175346 900405546 /nfs/dbraw/zinc/40/55/46/900405546.db2.gz MHIWDQSWVIJICM-UHFFFAOYSA-N 2 1 392.609 3.785 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000573584916 900568381 /nfs/dbraw/zinc/56/83/81/900568381.db2.gz MGIAVVVZFKFESN-NEWSRXKRSA-N 2 1 397.485 3.519 20 0 GHADMP COc1ccc(-n2c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc3ccccc32)cc1 ZINC000844222736 900588763 /nfs/dbraw/zinc/58/87/63/900588763.db2.gz KLXIQTMFMMHEEU-UHFFFAOYSA-N 2 1 376.504 3.610 20 0 GHADMP CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000573813317 900643532 /nfs/dbraw/zinc/64/35/32/900643532.db2.gz NZRDTFYSXYZKCB-IEBWSBKVSA-N 2 1 385.552 3.851 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000574468574 900900084 /nfs/dbraw/zinc/90/00/84/900900084.db2.gz JKWGWWFZAQGYDB-QFIPXVFZSA-N 2 1 382.504 3.546 20 0 GHADMP C[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000574601644 900942659 /nfs/dbraw/zinc/94/26/59/900942659.db2.gz GBIYMWRWZBPJFW-REWPJTCUSA-N 2 1 396.579 3.555 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc4c[nH+]cn4c3)cc2)C1 ZINC000574772906 901006572 /nfs/dbraw/zinc/00/65/72/901006572.db2.gz HJXSPFSVELYTQZ-SFHVURJKSA-N 2 1 391.519 3.566 20 0 GHADMP COC1CC[NH+](C2(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)CCCC2)CC1 ZINC000886524932 901123441 /nfs/dbraw/zinc/12/34/41/901123441.db2.gz UEZHOXUMGICDQE-UHFFFAOYSA-N 3 1 377.617 3.797 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000887133047 901449940 /nfs/dbraw/zinc/44/99/40/901449940.db2.gz SBIYTMNVUGKFRJ-OAHLLOKOSA-N 2 1 392.425 3.640 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000576086764 901667421 /nfs/dbraw/zinc/66/74/21/901667421.db2.gz CSRAUKLUFWWYTN-MZYLBHOOSA-N 2 1 382.548 3.543 20 0 GHADMP CC[C@H](C(=O)Nc1ccccc1N1CC[NH+](CC)CC1)[N@@H+](C)Cc1ccccc1 ZINC000576491079 902051262 /nfs/dbraw/zinc/05/12/62/902051262.db2.gz OIAFUUSSLPEKKL-JOCHJYFZSA-N 2 1 394.563 3.678 20 0 GHADMP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576512397 902069590 /nfs/dbraw/zinc/06/95/90/902069590.db2.gz TZRFWTUSEXBFOE-FCHUYYIVSA-N 2 1 382.548 3.661 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000846227326 902802662 /nfs/dbraw/zinc/80/26/62/902802662.db2.gz NXAIOEXBSSTMKW-MZYLBHOOSA-N 2 1 393.531 3.653 20 0 GHADMP COCCOc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000577670101 903027839 /nfs/dbraw/zinc/02/78/39/903027839.db2.gz ZPBDYVSLSIVIOJ-XZOQPEGZSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000577670101 903027850 /nfs/dbraw/zinc/02/78/50/903027850.db2.gz ZPBDYVSLSIVIOJ-XZOQPEGZSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000577670101 903027866 /nfs/dbraw/zinc/02/78/66/903027866.db2.gz ZPBDYVSLSIVIOJ-XZOQPEGZSA-N 2 1 380.532 3.666 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCC[C@H](C)C1 ZINC000600888935 903054070 /nfs/dbraw/zinc/05/40/70/903054070.db2.gz NWMKEKJRBINXBO-AJAVRQNISA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000600888935 903054074 /nfs/dbraw/zinc/05/40/74/903054074.db2.gz NWMKEKJRBINXBO-AJAVRQNISA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000600888935 903054084 /nfs/dbraw/zinc/05/40/84/903054084.db2.gz NWMKEKJRBINXBO-AJAVRQNISA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171252444 903214069 /nfs/dbraw/zinc/21/40/69/903214069.db2.gz XBBMOCJZGUNADW-NWIMNNEWSA-N 2 1 391.559 3.919 20 0 GHADMP CCC[N@H+](CC1(Br)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000846826300 903218810 /nfs/dbraw/zinc/21/88/10/903218810.db2.gz NTUOSQQPDLLLLE-UHFFFAOYSA-N 2 1 381.362 3.702 20 0 GHADMP CCC[N@@H+](CC1(Br)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000846826300 903218822 /nfs/dbraw/zinc/21/88/22/903218822.db2.gz NTUOSQQPDLLLLE-UHFFFAOYSA-N 2 1 381.362 3.702 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000846821633 903242158 /nfs/dbraw/zinc/24/21/58/903242158.db2.gz UAXNHRDOGZGYHZ-RTBURBONSA-N 2 1 376.545 3.607 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000846821633 903242166 /nfs/dbraw/zinc/24/21/66/903242166.db2.gz UAXNHRDOGZGYHZ-RTBURBONSA-N 2 1 376.545 3.607 20 0 GHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132801067 903310300 /nfs/dbraw/zinc/31/03/00/903310300.db2.gz GWHGNRJPBYCNFU-LJQANCHMSA-N 2 1 396.579 3.760 20 0 GHADMP Cc1cc(C)[nH+]c(Nc2cc[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 ZINC001212834346 903392940 /nfs/dbraw/zinc/39/29/40/903392940.db2.gz YMURBAHHGJYQLP-UHFFFAOYSA-N 2 1 383.496 3.894 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccncc1F ZINC000577968657 903396529 /nfs/dbraw/zinc/39/65/29/903396529.db2.gz ZGOICDAYOQYQCH-UYAOXDASSA-N 2 1 383.511 3.800 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccncc1F ZINC000577968657 903396540 /nfs/dbraw/zinc/39/65/40/903396540.db2.gz ZGOICDAYOQYQCH-UYAOXDASSA-N 2 1 383.511 3.800 20 0 GHADMP CC(C)(C)OC(=O)N1CCN(c2cc(Nc3c[nH+]c4ccccn34)cc[nH+]2)CC1 ZINC001212834847 903413793 /nfs/dbraw/zinc/41/37/93/903413793.db2.gz BNVQFQHLRWYOPO-UHFFFAOYSA-N 2 1 394.479 3.530 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC(F)F)cc3F)CC2)CC1 ZINC000578246533 903650160 /nfs/dbraw/zinc/65/01/60/903650160.db2.gz UZFFJLLJJFPLMY-UHFFFAOYSA-N 2 1 399.457 3.562 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000779063680 903751364 /nfs/dbraw/zinc/75/13/64/903751364.db2.gz ICGRCEMXQPSQNR-DXIQSLLYSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000779063680 903751372 /nfs/dbraw/zinc/75/13/72/903751372.db2.gz ICGRCEMXQPSQNR-DXIQSLLYSA-N 2 1 387.568 3.886 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000137569080 903868647 /nfs/dbraw/zinc/86/86/47/903868647.db2.gz ABCQFQSKLJVJMW-INIZCTEOSA-N 2 1 383.458 3.984 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1OCc1ccncc1 ZINC000290627235 914763368 /nfs/dbraw/zinc/76/33/68/914763368.db2.gz XSKNOVVXPJMKQA-LEWJYISDSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1OCc1ccncc1 ZINC000290627235 914763386 /nfs/dbraw/zinc/76/33/86/914763386.db2.gz XSKNOVVXPJMKQA-LEWJYISDSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1OCc1ccncc1 ZINC000290627235 914763396 /nfs/dbraw/zinc/76/33/96/914763396.db2.gz XSKNOVVXPJMKQA-LEWJYISDSA-N 2 1 381.520 3.585 20 0 GHADMP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nnc1-c1ccccc1 ZINC000578653013 904028277 /nfs/dbraw/zinc/02/82/77/904028277.db2.gz DTIPYWGRNNAILL-FCHUYYIVSA-N 2 1 389.547 3.654 20 0 GHADMP Cn1c(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nnc1-c1ccccc1 ZINC000578653013 904028285 /nfs/dbraw/zinc/02/82/85/904028285.db2.gz DTIPYWGRNNAILL-FCHUYYIVSA-N 2 1 389.547 3.654 20 0 GHADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151358584 904113595 /nfs/dbraw/zinc/11/35/95/904113595.db2.gz SIHOZBAVDWWYBB-CQSZACIVSA-N 2 1 377.529 3.755 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000578978157 904273253 /nfs/dbraw/zinc/27/32/53/904273253.db2.gz LIZQYPMWLXHMQC-KRWDZBQOSA-N 2 1 378.520 3.843 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000773000570 904355720 /nfs/dbraw/zinc/35/57/20/904355720.db2.gz WHDLRCFIRQKCFX-OAQYLSRUSA-N 2 1 392.632 3.698 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)C[C@H]3c3ccccc3)CC2)CC1 ZINC000579248987 904454632 /nfs/dbraw/zinc/45/46/32/904454632.db2.gz XMTKCMABHZBINW-CVDCTZTESA-N 2 1 383.580 3.792 20 0 GHADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C(F)(F)F)C1 ZINC000579382559 904556680 /nfs/dbraw/zinc/55/66/80/904556680.db2.gz JPVMULLKPREJEI-IAGOWNOFSA-N 2 1 391.522 3.668 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000579465374 904629438 /nfs/dbraw/zinc/62/94/38/904629438.db2.gz VWBDFPADQAIVKU-YLJYHZDGSA-N 2 1 388.939 3.895 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC(=O)c1cccs1 ZINC001137256253 904681906 /nfs/dbraw/zinc/68/19/06/904681906.db2.gz AGIAFUDGDTZQIT-UHFFFAOYSA-N 2 1 388.533 3.750 20 0 GHADMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1OC(=O)c1cccs1 ZINC001137256410 904683279 /nfs/dbraw/zinc/68/32/79/904683279.db2.gz HKMHIZGUJXPYFG-UHFFFAOYSA-N 2 1 388.533 3.894 20 0 GHADMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1OC(=O)c1cccs1 ZINC001137256410 904683285 /nfs/dbraw/zinc/68/32/85/904683285.db2.gz HKMHIZGUJXPYFG-UHFFFAOYSA-N 2 1 388.533 3.894 20 0 GHADMP COCC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641681 904932348 /nfs/dbraw/zinc/93/23/48/904932348.db2.gz SYRXHONMJFTTLE-KRWDZBQOSA-N 2 1 397.604 3.596 20 0 GHADMP COCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641681 904932351 /nfs/dbraw/zinc/93/23/51/904932351.db2.gz SYRXHONMJFTTLE-KRWDZBQOSA-N 2 1 397.604 3.596 20 0 GHADMP CC[NH2+]CC1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000646807999 914859603 /nfs/dbraw/zinc/85/96/03/914859603.db2.gz SAFPEPWOOUJKFN-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171739641 905025812 /nfs/dbraw/zinc/02/58/12/905025812.db2.gz QUFVBHKCXKIWQR-UGKGYDQZSA-N 2 1 379.548 3.608 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171739759 905026406 /nfs/dbraw/zinc/02/64/06/905026406.db2.gz GEZQRUBWEKYNNQ-KNQAVFIVSA-N 2 1 379.548 3.608 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171740196 905026873 /nfs/dbraw/zinc/02/68/73/905026873.db2.gz IIOYKPYEEFGQFF-CDIGIKMISA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171740196 905026891 /nfs/dbraw/zinc/02/68/91/905026891.db2.gz IIOYKPYEEFGQFF-CDIGIKMISA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171740196 905026909 /nfs/dbraw/zinc/02/69/09/905026909.db2.gz IIOYKPYEEFGQFF-CDIGIKMISA-N 2 1 378.564 3.817 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4Cc5cccc(F)c5C4)CC3)C2)cc1 ZINC001171802345 905065061 /nfs/dbraw/zinc/06/50/61/905065061.db2.gz XVVOHMJQBVUKHJ-QFIPXVFZSA-N 2 1 394.534 3.968 20 0 GHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000626498191 905069239 /nfs/dbraw/zinc/06/92/39/905069239.db2.gz YOSBMCROWVSROX-XZOQPEGZSA-N 2 1 392.547 3.513 20 0 GHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000626498191 905069256 /nfs/dbraw/zinc/06/92/56/905069256.db2.gz YOSBMCROWVSROX-XZOQPEGZSA-N 2 1 392.547 3.513 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001171935797 905191749 /nfs/dbraw/zinc/19/17/49/905191749.db2.gz LFBDHLBGOVGKBF-IXNMUYKUSA-N 2 1 384.564 3.999 20 0 GHADMP C[NH+](C)CCCN(CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171989125 905198920 /nfs/dbraw/zinc/19/89/20/905198920.db2.gz YIGMTNFAFOYSHK-HSZRJFAPSA-N 3 1 388.644 3.635 20 0 GHADMP Cc1cnc(O[C@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989590 905199242 /nfs/dbraw/zinc/19/92/42/905199242.db2.gz DWYZRNSIVOVHPX-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989590 905199245 /nfs/dbraw/zinc/19/92/45/905199245.db2.gz DWYZRNSIVOVHPX-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989590 905199247 /nfs/dbraw/zinc/19/92/47/905199247.db2.gz DWYZRNSIVOVHPX-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989590 905199248 /nfs/dbraw/zinc/19/92/48/905199248.db2.gz DWYZRNSIVOVHPX-RTWAWAEBSA-N 2 1 380.536 3.681 20 0 GHADMP CC[N@@H+](C)C1CC[NH+](C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001171996267 905208151 /nfs/dbraw/zinc/20/81/51/905208151.db2.gz CYUCVZDNLSNECA-UHFFFAOYSA-N 2 1 380.374 3.834 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969821 905215849 /nfs/dbraw/zinc/21/58/49/905215849.db2.gz XHXFBECTBLMHSK-LJQANCHMSA-N 2 1 375.557 3.934 20 0 GHADMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC001171976321 905224439 /nfs/dbraw/zinc/22/44/39/905224439.db2.gz RCXKQPIOGDEASN-VABKMULXSA-N 2 1 382.548 3.768 20 0 GHADMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H](O)c1ccccc1 ZINC001171976321 905224455 /nfs/dbraw/zinc/22/44/55/905224455.db2.gz RCXKQPIOGDEASN-VABKMULXSA-N 2 1 382.548 3.768 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC[C@]3(CCN3c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981888 905236622 /nfs/dbraw/zinc/23/66/22/905236622.db2.gz QVWVFFNEJWLAGM-URXFXBBRSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981888 905236636 /nfs/dbraw/zinc/23/66/36/905236636.db2.gz QVWVFFNEJWLAGM-URXFXBBRSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CC[C@]3(CCN3c3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981888 905236652 /nfs/dbraw/zinc/23/66/52/905236652.db2.gz QVWVFFNEJWLAGM-URXFXBBRSA-N 2 1 391.563 3.574 20 0 GHADMP COc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171984609 905240587 /nfs/dbraw/zinc/24/05/87/905240587.db2.gz WKMGNUZKUGFLLG-FGZHOGPDSA-N 2 1 382.548 3.631 20 0 GHADMP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+]C3CC[NH+](C(C)C)CC3)ccc2c1 ZINC000174295854 905247724 /nfs/dbraw/zinc/24/77/24/905247724.db2.gz QXODDWURROOWOV-GOSISDBHSA-N 2 1 397.563 3.658 20 0 GHADMP CCN1CCC2(CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)C1=O ZINC001171987275 905249412 /nfs/dbraw/zinc/24/94/12/905249412.db2.gz SKIIABUYYUKQBT-NRFANRHFSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172076084 905288212 /nfs/dbraw/zinc/28/82/12/905288212.db2.gz ZNWOOSUCKXXEKB-BJESRGMDSA-N 2 1 395.591 3.762 20 0 GHADMP CC1(N2CCOCC2)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172083338 905295624 /nfs/dbraw/zinc/29/56/24/905295624.db2.gz PHPUDUOAVCXVMU-UBRQYEGLSA-N 2 1 397.607 3.759 20 0 GHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172083717 905296877 /nfs/dbraw/zinc/29/68/77/905296877.db2.gz QWHKORSSNPEHTN-HXJAPYIESA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172083717 905296889 /nfs/dbraw/zinc/29/68/89/905296889.db2.gz QWHKORSSNPEHTN-HXJAPYIESA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172083717 905296903 /nfs/dbraw/zinc/29/69/03/905296903.db2.gz QWHKORSSNPEHTN-HXJAPYIESA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172083717 905296919 /nfs/dbraw/zinc/29/69/19/905296919.db2.gz QWHKORSSNPEHTN-HXJAPYIESA-N 2 1 382.548 3.846 20 0 GHADMP Cc1cnc(O[C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084751 905297743 /nfs/dbraw/zinc/29/77/43/905297743.db2.gz DFWGYFSAZYCPQD-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP OC[C@@]1(C(F)(F)F)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069012 905337540 /nfs/dbraw/zinc/33/75/40/905337540.db2.gz NFNBDKUBIWSMHE-FUMNGEBKSA-N 2 1 382.470 3.819 20 0 GHADMP OC[C@@]1(C(F)(F)F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069012 905337559 /nfs/dbraw/zinc/33/75/59/905337559.db2.gz NFNBDKUBIWSMHE-FUMNGEBKSA-N 2 1 382.470 3.819 20 0 GHADMP OC[C@@]1(C(F)(F)F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069012 905337574 /nfs/dbraw/zinc/33/75/74/905337574.db2.gz NFNBDKUBIWSMHE-FUMNGEBKSA-N 2 1 382.470 3.819 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130280 905343202 /nfs/dbraw/zinc/34/32/02/905343202.db2.gz NJNDVHUVCAMXPW-ACDBMABISA-N 2 1 375.944 3.503 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130280 905343219 /nfs/dbraw/zinc/34/32/19/905343219.db2.gz NJNDVHUVCAMXPW-ACDBMABISA-N 2 1 375.944 3.503 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172130280 905343236 /nfs/dbraw/zinc/34/32/36/905343236.db2.gz NJNDVHUVCAMXPW-ACDBMABISA-N 2 1 375.944 3.503 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172117017 905370744 /nfs/dbraw/zinc/37/07/44/905370744.db2.gz FNNQTTAAODNRFE-BWTSREIZSA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172117017 905370755 /nfs/dbraw/zinc/37/07/55/905370755.db2.gz FNNQTTAAODNRFE-BWTSREIZSA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172117017 905370767 /nfs/dbraw/zinc/37/07/67/905370767.db2.gz FNNQTTAAODNRFE-BWTSREIZSA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117849 905372283 /nfs/dbraw/zinc/37/22/83/905372283.db2.gz SJWZZBIKWZSPGZ-RCLSDMTESA-N 2 1 390.522 3.634 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117849 905372299 /nfs/dbraw/zinc/37/22/99/905372299.db2.gz SJWZZBIKWZSPGZ-RCLSDMTESA-N 2 1 390.522 3.634 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117849 905372307 /nfs/dbraw/zinc/37/23/07/905372307.db2.gz SJWZZBIKWZSPGZ-RCLSDMTESA-N 2 1 390.522 3.634 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122284 905381812 /nfs/dbraw/zinc/38/18/12/905381812.db2.gz ZAEIDIHGNBDSMO-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122284 905381829 /nfs/dbraw/zinc/38/18/29/905381829.db2.gz ZAEIDIHGNBDSMO-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122284 905381849 /nfs/dbraw/zinc/38/18/49/905381849.db2.gz ZAEIDIHGNBDSMO-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172168677 905395152 /nfs/dbraw/zinc/39/51/52/905395152.db2.gz CHVXJWTXBXVUFY-LWYYNNOASA-N 2 1 375.944 3.565 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001172216205 905420508 /nfs/dbraw/zinc/42/05/08/905420508.db2.gz QZEWVTDYNUTACT-FUGLIDABSA-N 2 1 390.955 3.577 20 0 GHADMP CC(C)COCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172472495 905553064 /nfs/dbraw/zinc/55/30/64/905553064.db2.gz PFGAVZKPLBHGSK-LRSLUSHPSA-N 2 1 376.589 3.508 20 0 GHADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172472495 905553081 /nfs/dbraw/zinc/55/30/81/905553081.db2.gz PFGAVZKPLBHGSK-LRSLUSHPSA-N 2 1 376.589 3.508 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001172472495 905553091 /nfs/dbraw/zinc/55/30/91/905553091.db2.gz PFGAVZKPLBHGSK-LRSLUSHPSA-N 2 1 376.589 3.508 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001172472495 905553095 /nfs/dbraw/zinc/55/30/95/905553095.db2.gz PFGAVZKPLBHGSK-LRSLUSHPSA-N 2 1 376.589 3.508 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)C2 ZINC001172513406 905607421 /nfs/dbraw/zinc/60/74/21/905607421.db2.gz CHIYHIIUQIQRAA-CBZNWHGESA-N 2 1 381.564 3.532 20 0 GHADMP C[C@H](CCc1c(F)cc(Cl)cc1F)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001172574260 905634069 /nfs/dbraw/zinc/63/40/69/905634069.db2.gz OGQMLCBIQAPPME-VOBQZIQPSA-N 2 1 385.930 3.650 20 0 GHADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172536145 905639569 /nfs/dbraw/zinc/63/95/69/905639569.db2.gz LZDJDFXHTJDRJR-QNWVGRARSA-N 2 1 383.580 3.734 20 0 GHADMP C[NH+]1C[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)[C@@H](c2ccccc2)C1 ZINC000627835082 905785763 /nfs/dbraw/zinc/78/57/63/905785763.db2.gz WPIXXOANMCROEQ-SJORKVTESA-N 2 1 398.576 3.584 20 0 GHADMP C[NH+]1C[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)[C@@H](c2ccccc2)C1 ZINC000627835082 905785774 /nfs/dbraw/zinc/78/57/74/905785774.db2.gz WPIXXOANMCROEQ-SJORKVTESA-N 2 1 398.576 3.584 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001172806003 905879132 /nfs/dbraw/zinc/87/91/32/905879132.db2.gz FICJCFJLJPKCRJ-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001172806003 905879140 /nfs/dbraw/zinc/87/91/40/905879140.db2.gz FICJCFJLJPKCRJ-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@@H](C)Cc2ccc(F)cc2Cl)c2c1CC[NH2+]C2 ZINC001172865619 905881323 /nfs/dbraw/zinc/88/13/23/905881323.db2.gz DJFYFGHJBCEHQH-AWEZNQCLSA-N 2 1 378.923 3.965 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1)CC2 ZINC001172844247 905897029 /nfs/dbraw/zinc/89/70/29/905897029.db2.gz WRXDBWQJEIFIBY-GOTSBHOMSA-N 2 1 380.532 3.683 20 0 GHADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)CC1 ZINC001172896914 905918163 /nfs/dbraw/zinc/91/81/63/905918163.db2.gz KQYQFVSQSNYEEW-IBGZPJMESA-N 2 1 398.551 3.830 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000628168753 905991635 /nfs/dbraw/zinc/99/16/35/905991635.db2.gz GSKZQEMUSUVVPX-FPOVZHCZSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000628168753 905991647 /nfs/dbraw/zinc/99/16/47/905991647.db2.gz GSKZQEMUSUVVPX-FPOVZHCZSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000628168753 905991658 /nfs/dbraw/zinc/99/16/58/905991658.db2.gz GSKZQEMUSUVVPX-FPOVZHCZSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000628168753 905991668 /nfs/dbraw/zinc/99/16/68/905991668.db2.gz GSKZQEMUSUVVPX-FPOVZHCZSA-N 2 1 389.971 3.543 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001173077058 906173458 /nfs/dbraw/zinc/17/34/58/906173458.db2.gz XURVEGNEDJUCEA-HNNXBMFYSA-N 3 1 389.506 3.992 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001173112506 906200942 /nfs/dbraw/zinc/20/09/42/906200942.db2.gz BUTZAFONDMIMMT-QNGMFEMESA-N 2 1 392.609 3.923 20 0 GHADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](C1CCC3(CCCCC3)CC1)CC2 ZINC001173117049 906205739 /nfs/dbraw/zinc/20/57/39/906205739.db2.gz XLZNTIMASMEVTG-UHFFFAOYSA-N 2 1 385.596 3.704 20 0 GHADMP C[NH+]1CCN(c2cccc(Nc3c[nH+]c4ccc(Br)cn34)c2)CC1 ZINC001212710385 906229538 /nfs/dbraw/zinc/22/95/38/906229538.db2.gz FAPUIAWVVAGVKN-UHFFFAOYSA-N 2 1 386.297 3.592 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001173417886 906447333 /nfs/dbraw/zinc/44/73/33/906447333.db2.gz HKYPDIIYBBGWIO-UHFFFAOYSA-N 2 1 389.971 3.895 20 0 GHADMP C[N@H+](C1CC1)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173420026 906449408 /nfs/dbraw/zinc/44/94/08/906449408.db2.gz QGWZLROWOUSQHV-UHFFFAOYSA-N 2 1 375.944 3.503 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173420026 906449415 /nfs/dbraw/zinc/44/94/15/906449415.db2.gz QGWZLROWOUSQHV-UHFFFAOYSA-N 2 1 375.944 3.503 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001173645392 906629892 /nfs/dbraw/zinc/62/98/92/906629892.db2.gz SYOWCNHOZXRIEV-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001173645392 906629898 /nfs/dbraw/zinc/62/98/98/906629898.db2.gz SYOWCNHOZXRIEV-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001173645392 906629903 /nfs/dbraw/zinc/62/99/03/906629903.db2.gz SYOWCNHOZXRIEV-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C1 ZINC001173645392 906629906 /nfs/dbraw/zinc/62/99/06/906629906.db2.gz SYOWCNHOZXRIEV-AEDQLDONSA-N 2 1 399.579 3.736 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180124070 906693920 /nfs/dbraw/zinc/69/39/20/906693920.db2.gz XQKNITFSBPWUMN-NOTZXAQLSA-N 2 1 383.580 3.809 20 0 GHADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1C ZINC000180738306 906831046 /nfs/dbraw/zinc/83/10/46/906831046.db2.gz VQBGIBJPSMPSPK-IBGZPJMESA-N 2 1 387.568 3.645 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCc1ccncc1 ZINC000180731820 906832068 /nfs/dbraw/zinc/83/20/68/906832068.db2.gz XMGLFYJTOANMHM-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1OCc1ccncc1 ZINC000180731820 906832083 /nfs/dbraw/zinc/83/20/83/906832083.db2.gz XMGLFYJTOANMHM-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCc1ccncc1 ZINC000180731820 906832096 /nfs/dbraw/zinc/83/20/96/906832096.db2.gz XMGLFYJTOANMHM-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1OCc1ccncc1 ZINC000180731820 906832103 /nfs/dbraw/zinc/83/21/03/906832103.db2.gz XMGLFYJTOANMHM-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000629601013 906892230 /nfs/dbraw/zinc/89/22/30/906892230.db2.gz DEANVIACCHWACX-QFIPXVFZSA-N 2 1 383.536 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000629601013 906892239 /nfs/dbraw/zinc/89/22/39/906892239.db2.gz DEANVIACCHWACX-QFIPXVFZSA-N 2 1 383.536 3.826 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655850 906933180 /nfs/dbraw/zinc/93/31/80/906933180.db2.gz LIEJRNCQFHZBLX-QZTJIDSGSA-N 2 1 379.426 3.716 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629655850 906933196 /nfs/dbraw/zinc/93/31/96/906933196.db2.gz LIEJRNCQFHZBLX-QZTJIDSGSA-N 2 1 379.426 3.716 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](Cn2cc(-c3ccc(C[NH+]4CCC[C@H]4C)cc3)cn2)C1 ZINC000629702347 906972033 /nfs/dbraw/zinc/97/20/33/906972033.db2.gz LWYNJUYHAXJHEH-AUSIDOKSSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@@H](Cn2cc(-c3ccc(C[N@@H+]4CCC[C@H]4C)cc3)cn2)C1 ZINC000629702347 906972050 /nfs/dbraw/zinc/97/20/50/906972050.db2.gz LWYNJUYHAXJHEH-AUSIDOKSSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@@H](Cn2cc(-c3ccc(C[N@H+]4CCC[C@H]4C)cc3)cn2)C1 ZINC000629702347 906972058 /nfs/dbraw/zinc/97/20/58/906972058.db2.gz LWYNJUYHAXJHEH-AUSIDOKSSA-N 2 1 382.552 3.644 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000182246607 907167310 /nfs/dbraw/zinc/16/73/10/907167310.db2.gz GGFINSIOUQBXPA-VQIMIIECSA-N 2 1 385.577 3.829 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000182246607 907167316 /nfs/dbraw/zinc/16/73/16/907167316.db2.gz GGFINSIOUQBXPA-VQIMIIECSA-N 2 1 385.577 3.829 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479791 907306275 /nfs/dbraw/zinc/30/62/75/907306275.db2.gz ZBISISUMQIGQDT-XUVXKRRUSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479791 907306295 /nfs/dbraw/zinc/30/62/95/907306295.db2.gz ZBISISUMQIGQDT-XUVXKRRUSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479791 907306307 /nfs/dbraw/zinc/30/63/07/907306307.db2.gz ZBISISUMQIGQDT-XUVXKRRUSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479791 907306322 /nfs/dbraw/zinc/30/63/22/907306322.db2.gz ZBISISUMQIGQDT-XUVXKRRUSA-N 2 1 379.589 3.972 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722501 907822158 /nfs/dbraw/zinc/82/21/58/907822158.db2.gz DIJWATVUHUZABC-CABCVRRESA-N 2 1 379.932 3.530 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722501 907822170 /nfs/dbraw/zinc/82/21/70/907822170.db2.gz DIJWATVUHUZABC-CABCVRRESA-N 2 1 379.932 3.530 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001175924216 907830636 /nfs/dbraw/zinc/83/06/36/907830636.db2.gz WGJGHGUIQBXWDW-JOCHJYFZSA-N 2 1 389.559 3.905 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001175924216 907830654 /nfs/dbraw/zinc/83/06/54/907830654.db2.gz WGJGHGUIQBXWDW-JOCHJYFZSA-N 2 1 389.559 3.905 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCC(=O)OCc1ccccc1)C2 ZINC001175973555 907846994 /nfs/dbraw/zinc/84/69/94/907846994.db2.gz NJRDXHNMAWKTNE-LADGPHEKSA-N 2 1 378.516 3.574 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCC(=O)OCc1ccccc1)C2 ZINC001175973555 907847012 /nfs/dbraw/zinc/84/70/12/907847012.db2.gz NJRDXHNMAWKTNE-LADGPHEKSA-N 2 1 378.516 3.574 20 0 GHADMP C[C@]12C[NH+](CCC(=O)OCc3ccccc3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001175973555 907847021 /nfs/dbraw/zinc/84/70/21/907847021.db2.gz NJRDXHNMAWKTNE-LADGPHEKSA-N 2 1 378.516 3.574 20 0 GHADMP C[C@]12C[NH+](CCC(=O)OCc3ccccc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001175973555 907847030 /nfs/dbraw/zinc/84/70/30/907847030.db2.gz NJRDXHNMAWKTNE-LADGPHEKSA-N 2 1 378.516 3.574 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187766380 908136234 /nfs/dbraw/zinc/13/62/34/908136234.db2.gz JPILKXMAMCABLK-FQEVSTJZSA-N 2 1 377.598 3.630 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)cc1I ZINC001177162273 908441039 /nfs/dbraw/zinc/44/10/39/908441039.db2.gz KBOJODDPOKFPKI-UHFFFAOYSA-N 2 1 384.305 3.624 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC001177283342 908516205 /nfs/dbraw/zinc/51/62/05/908516205.db2.gz XDFLWUIZJVWXDI-HDICACEKSA-N 2 1 398.620 3.977 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC001177283342 908516213 /nfs/dbraw/zinc/51/62/13/908516213.db2.gz XDFLWUIZJVWXDI-HDICACEKSA-N 2 1 398.620 3.977 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1)C1CCOCC1 ZINC000192815349 908826623 /nfs/dbraw/zinc/82/66/23/908826623.db2.gz PXRWINUGSHQROL-JOCHJYFZSA-N 2 1 384.520 3.936 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(Br)nc2Br)CC1 ZINC001206311094 908838959 /nfs/dbraw/zinc/83/89/59/908838959.db2.gz INKPSAQNIHQODK-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)nc2Br)CC1 ZINC001206311094 908838969 /nfs/dbraw/zinc/83/89/69/908838969.db2.gz INKPSAQNIHQODK-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001178591235 909113628 /nfs/dbraw/zinc/11/36/28/909113628.db2.gz PGHLZBXSQHHRNN-HSZRJFAPSA-N 2 1 391.559 3.649 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[NH+]2CC2CC2)CC1 ZINC001178724360 909187053 /nfs/dbraw/zinc/18/70/53/909187053.db2.gz CSTKWBRVYMZVPU-NFBKMPQASA-N 2 1 395.591 3.622 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001178724360 909187061 /nfs/dbraw/zinc/18/70/61/909187061.db2.gz CSTKWBRVYMZVPU-NFBKMPQASA-N 2 1 395.591 3.622 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001178724360 909187069 /nfs/dbraw/zinc/18/70/69/909187069.db2.gz CSTKWBRVYMZVPU-NFBKMPQASA-N 2 1 395.591 3.622 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[C@H]2CC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000635767928 909345348 /nfs/dbraw/zinc/34/53/48/909345348.db2.gz UPKSZWSHZBORPC-IRLDBZIGSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000635767928 909345365 /nfs/dbraw/zinc/34/53/65/909345365.db2.gz UPKSZWSHZBORPC-IRLDBZIGSA-N 2 1 387.568 3.746 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000635767928 909345381 /nfs/dbraw/zinc/34/53/81/909345381.db2.gz UPKSZWSHZBORPC-IRLDBZIGSA-N 2 1 387.568 3.746 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000267345021 909458854 /nfs/dbraw/zinc/45/88/54/909458854.db2.gz CCMAXRQJVRVZAD-WMZHIEFXSA-N 2 1 388.515 3.572 20 0 GHADMP Cn1cnnc1C1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637940331 910007756 /nfs/dbraw/zinc/00/77/56/910007756.db2.gz GGGFFUDFCMPJIG-XMMPIXPASA-N 2 1 395.595 3.933 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000268785978 910015385 /nfs/dbraw/zinc/01/53/85/910015385.db2.gz VUCHZDSWDUWVBG-YKSBVNFPSA-N 2 1 391.559 3.809 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000268812489 910028680 /nfs/dbraw/zinc/02/86/80/910028680.db2.gz LESOYUMYHFMGJK-KRWDZBQOSA-N 2 1 387.490 3.696 20 0 GHADMP O=c1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178202 910075444 /nfs/dbraw/zinc/07/54/44/910075444.db2.gz NSXKDCHLGNSYPY-AZUAARDMSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178202 910075456 /nfs/dbraw/zinc/07/54/56/910075456.db2.gz NSXKDCHLGNSYPY-AZUAARDMSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178202 910075461 /nfs/dbraw/zinc/07/54/61/910075461.db2.gz NSXKDCHLGNSYPY-AZUAARDMSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178202 910075472 /nfs/dbraw/zinc/07/54/72/910075472.db2.gz NSXKDCHLGNSYPY-AZUAARDMSA-N 2 1 387.474 3.730 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)ncn1 ZINC000268990486 910095501 /nfs/dbraw/zinc/09/55/01/910095501.db2.gz RGLXCVUPZNEMRY-AUSIDOKSSA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)ncn1 ZINC000268990486 910095513 /nfs/dbraw/zinc/09/55/13/910095513.db2.gz RGLXCVUPZNEMRY-AUSIDOKSSA-N 2 1 393.579 3.651 20 0 GHADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638321931 910116923 /nfs/dbraw/zinc/11/69/23/910116923.db2.gz NNNCRHXJAOLYFG-QUCCMNQESA-N 2 1 392.385 3.801 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429107 910134148 /nfs/dbraw/zinc/13/41/48/910134148.db2.gz AWIUDGCVSDHLBN-BXXSPATCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429107 910134161 /nfs/dbraw/zinc/13/41/61/910134161.db2.gz AWIUDGCVSDHLBN-BXXSPATCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429107 910134169 /nfs/dbraw/zinc/13/41/69/910134169.db2.gz AWIUDGCVSDHLBN-BXXSPATCSA-N 2 1 383.580 3.524 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638588286 910196832 /nfs/dbraw/zinc/19/68/32/910196832.db2.gz KQCFFKGEJJLLRN-AYOQOUSVSA-N 2 1 380.374 3.516 20 0 GHADMP c1cc([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000246309958 910226798 /nfs/dbraw/zinc/22/67/98/910226798.db2.gz AHNXQMANYIZMJO-WOJBJXKFSA-N 2 1 384.572 3.752 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1Cn1cccn1 ZINC000246314213 910228302 /nfs/dbraw/zinc/22/83/02/910228302.db2.gz DWVXGFOHVNFGQF-WOJBJXKFSA-N 2 1 384.568 3.959 20 0 GHADMP C[N@@H+](CCC(=O)N1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC001181138314 910564218 /nfs/dbraw/zinc/56/42/18/910564218.db2.gz FZIZHQJWVXKXLA-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CCC(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC001181138314 910564234 /nfs/dbraw/zinc/56/42/34/910564234.db2.gz FZIZHQJWVXKXLA-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CCC(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC001181138314 910564251 /nfs/dbraw/zinc/56/42/51/910564251.db2.gz FZIZHQJWVXKXLA-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681849 910612130 /nfs/dbraw/zinc/61/21/30/910612130.db2.gz FVRSEPVJRGFIOW-HNNXBMFYSA-N 2 1 392.425 3.640 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681849 910612138 /nfs/dbraw/zinc/61/21/38/910612138.db2.gz FVRSEPVJRGFIOW-HNNXBMFYSA-N 2 1 392.425 3.640 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(F)cn1 ZINC000271309633 910856564 /nfs/dbraw/zinc/85/65/64/910856564.db2.gz IGXRVSOABNPHRF-KRWDZBQOSA-N 2 1 387.499 3.561 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+]2Cc2cccc(F)c2)C1 ZINC001181865990 911047817 /nfs/dbraw/zinc/04/78/17/911047817.db2.gz MOISBDZRQWMCDG-QHCPKHFHSA-N 2 1 389.559 3.905 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]c1C ZINC001182195718 911261393 /nfs/dbraw/zinc/26/13/93/911261393.db2.gz HCQOWTBURCAMSZ-FQEVSTJZSA-N 2 1 383.536 3.892 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC001182195718 911261410 /nfs/dbraw/zinc/26/14/10/911261410.db2.gz HCQOWTBURCAMSZ-FQEVSTJZSA-N 2 1 383.536 3.892 20 0 GHADMP C[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283185729 911403576 /nfs/dbraw/zinc/40/35/76/911403576.db2.gz QIVYJDDQNPOPFZ-PKTZIBPZSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283185729 911403585 /nfs/dbraw/zinc/40/35/85/911403585.db2.gz QIVYJDDQNPOPFZ-PKTZIBPZSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283185729 911403594 /nfs/dbraw/zinc/40/35/94/911403594.db2.gz QIVYJDDQNPOPFZ-PKTZIBPZSA-N 2 1 391.559 3.603 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N3CCCC3)CCOCC2)CC1 ZINC000283959005 911703559 /nfs/dbraw/zinc/70/35/59/911703559.db2.gz GBMUHQJNFNIITD-UHFFFAOYSA-N 3 1 385.596 3.664 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000283959005 911703566 /nfs/dbraw/zinc/70/35/66/911703566.db2.gz GBMUHQJNFNIITD-UHFFFAOYSA-N 3 1 385.596 3.664 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000283959005 911703585 /nfs/dbraw/zinc/70/35/85/911703585.db2.gz GBMUHQJNFNIITD-UHFFFAOYSA-N 3 1 385.596 3.664 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1ccc(F)cc1F ZINC000092821257 911839414 /nfs/dbraw/zinc/83/94/14/911839414.db2.gz GXAPWRGFLIBRIJ-OAQYLSRUSA-N 2 1 375.463 3.632 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1CC1CC1)N1CCC[C@H]([NH+](Cc2ccccc2)C2CC2)C1 ZINC001182556475 911847937 /nfs/dbraw/zinc/84/79/37/911847937.db2.gz YRTZVJGQFMLVGX-GOTSBHOMSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCC[NH+]1CC1CC1)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001182556475 911847938 /nfs/dbraw/zinc/84/79/38/911847938.db2.gz YRTZVJGQFMLVGX-GOTSBHOMSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCC[NH+]1CC1CC1)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001182556475 911847947 /nfs/dbraw/zinc/84/79/47/911847947.db2.gz YRTZVJGQFMLVGX-GOTSBHOMSA-N 2 1 381.564 3.516 20 0 GHADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CC[NH+]2[C@H](C)c2ccccc2)C1 ZINC001187029525 914958778 /nfs/dbraw/zinc/95/87/78/914958778.db2.gz TYOUPQADWTZFDO-RLLQIKCJSA-N 2 1 393.522 3.788 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CC[NH+]2[C@H](C)c2ccccc2)C1 ZINC001187029525 914958792 /nfs/dbraw/zinc/95/87/92/914958792.db2.gz TYOUPQADWTZFDO-RLLQIKCJSA-N 2 1 393.522 3.788 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CC[N@@H+]2[C@H](C)c2ccccc2)C1 ZINC001187029525 914958806 /nfs/dbraw/zinc/95/88/06/914958806.db2.gz TYOUPQADWTZFDO-RLLQIKCJSA-N 2 1 393.522 3.788 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CC[N@H+]2[C@H](C)c2ccccc2)C1 ZINC001187029525 914958818 /nfs/dbraw/zinc/95/88/18/914958818.db2.gz TYOUPQADWTZFDO-RLLQIKCJSA-N 2 1 393.522 3.788 20 0 GHADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)CC[NH+]2[C@H](C)c2ccccc2)C1 ZINC001187029523 914959470 /nfs/dbraw/zinc/95/94/70/914959470.db2.gz TYOUPQADWTZFDO-HOJAQTOUSA-N 2 1 393.522 3.788 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)CC[NH+]2[C@H](C)c2ccccc2)C1 ZINC001187029523 914959481 /nfs/dbraw/zinc/95/94/81/914959481.db2.gz TYOUPQADWTZFDO-HOJAQTOUSA-N 2 1 393.522 3.788 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)CC[N@@H+]2[C@H](C)c2ccccc2)C1 ZINC001187029523 914959485 /nfs/dbraw/zinc/95/94/85/914959485.db2.gz TYOUPQADWTZFDO-HOJAQTOUSA-N 2 1 393.522 3.788 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)CC[N@H+]2[C@H](C)c2ccccc2)C1 ZINC001187029523 914959496 /nfs/dbraw/zinc/95/94/96/914959496.db2.gz TYOUPQADWTZFDO-HOJAQTOUSA-N 2 1 393.522 3.788 20 0 GHADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183530 915076231 /nfs/dbraw/zinc/07/62/31/915076231.db2.gz AHGMQARUBQATMD-YADHBBJMSA-N 2 1 389.543 3.858 20 0 GHADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647183530 915076246 /nfs/dbraw/zinc/07/62/46/915076246.db2.gz AHGMQARUBQATMD-YADHBBJMSA-N 2 1 389.543 3.858 20 0 GHADMP CC(C)C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000647288888 915139414 /nfs/dbraw/zinc/13/94/14/915139414.db2.gz TYIXSRZCVAHMFU-PKTZIBPZSA-N 2 1 394.563 3.656 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479512 915293477 /nfs/dbraw/zinc/29/34/77/915293477.db2.gz JSOLVDOETODIGQ-GCJKJVERSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647479512 915293491 /nfs/dbraw/zinc/29/34/91/915293491.db2.gz JSOLVDOETODIGQ-GCJKJVERSA-N 2 1 381.520 3.633 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976734 915457188 /nfs/dbraw/zinc/45/71/88/915457188.db2.gz STJAUMQDHHUCHO-HZPDHXFCSA-N 2 1 394.441 3.967 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1F ZINC000647976844 915458098 /nfs/dbraw/zinc/45/80/98/915458098.db2.gz VAIWPERHYQQZFN-OALUTQOASA-N 2 1 386.515 3.828 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978493 915462289 /nfs/dbraw/zinc/46/22/89/915462289.db2.gz STFGMYYICDVMHI-NEWSRXKRSA-N 2 1 377.960 3.571 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000647986942 915465616 /nfs/dbraw/zinc/46/56/16/915465616.db2.gz ZMAXOHLYVMJKOM-GJZGRUSLSA-N 2 1 380.414 3.577 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000648732921 915843822 /nfs/dbraw/zinc/84/38/22/915843822.db2.gz VTLWWPKJJTWSAV-IEBWSBKVSA-N 2 1 396.535 3.501 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000648791620 915881896 /nfs/dbraw/zinc/88/18/96/915881896.db2.gz GNFNOTLHVXGIHK-SFHLNBCPSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000648791620 915881908 /nfs/dbraw/zinc/88/19/08/915881908.db2.gz GNFNOTLHVXGIHK-SFHLNBCPSA-N 2 1 382.552 3.908 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293407286 916184635 /nfs/dbraw/zinc/18/46/35/916184635.db2.gz MYTIJBLOXWORDY-IBGZPJMESA-N 2 1 379.548 3.746 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000361155132 916533560 /nfs/dbraw/zinc/53/35/60/916533560.db2.gz AEJQHQADBWPHTO-CHWSQXEVSA-N 2 1 375.257 3.767 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000361155132 916533572 /nfs/dbraw/zinc/53/35/72/916533572.db2.gz AEJQHQADBWPHTO-CHWSQXEVSA-N 2 1 375.257 3.767 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000362032991 917044295 /nfs/dbraw/zinc/04/42/95/917044295.db2.gz RHJJKEMWDVNERV-NMNUPHIUSA-N 2 1 377.532 3.985 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000362032991 917044307 /nfs/dbraw/zinc/04/43/07/917044307.db2.gz RHJJKEMWDVNERV-NMNUPHIUSA-N 2 1 377.532 3.985 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000651220170 917522870 /nfs/dbraw/zinc/52/28/70/917522870.db2.gz VPSBLHLUUKENRF-OAQYLSRUSA-N 2 1 378.605 3.691 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001191298254 917903957 /nfs/dbraw/zinc/90/39/57/917903957.db2.gz XBSZSGGGKAFRIF-JOCHJYFZSA-N 2 1 386.580 3.995 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001191298254 917903971 /nfs/dbraw/zinc/90/39/71/917903971.db2.gz XBSZSGGGKAFRIF-JOCHJYFZSA-N 2 1 386.580 3.995 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)ccc2Br)CC1 ZINC001205570427 918129422 /nfs/dbraw/zinc/12/94/22/918129422.db2.gz JWMLKTQXZYHIRC-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2Br)CC1 ZINC001205570427 918129432 /nfs/dbraw/zinc/12/94/32/918129432.db2.gz JWMLKTQXZYHIRC-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000653153643 918144116 /nfs/dbraw/zinc/14/41/16/918144116.db2.gz VRBWLTWTWZQGMB-ZOCIIQOWSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000653153643 918144118 /nfs/dbraw/zinc/14/41/18/918144118.db2.gz VRBWLTWTWZQGMB-ZOCIIQOWSA-N 2 1 381.923 3.509 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653573147 918319567 /nfs/dbraw/zinc/31/95/67/918319567.db2.gz VGKZFSFQFLCBQD-QGZVFWFLSA-N 2 1 381.307 3.763 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000653573147 918319583 /nfs/dbraw/zinc/31/95/83/918319583.db2.gz VGKZFSFQFLCBQD-QGZVFWFLSA-N 2 1 381.307 3.763 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296590239 918434208 /nfs/dbraw/zinc/43/42/08/918434208.db2.gz IYXRAWKYIFHEHD-IHWFROFDSA-N 2 1 381.524 3.802 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296590239 918434221 /nfs/dbraw/zinc/43/42/21/918434221.db2.gz IYXRAWKYIFHEHD-IHWFROFDSA-N 2 1 381.524 3.802 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC4(CCCCC4)CC3)CC2)CC1 ZINC000654696864 919295923 /nfs/dbraw/zinc/29/59/23/919295923.db2.gz FCGQQMJJBXOBQQ-UHFFFAOYSA-N 2 1 375.601 3.756 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000380570186 919305512 /nfs/dbraw/zinc/30/55/12/919305512.db2.gz HUYYFLFRJOPIPI-IPMKNSEASA-N 2 1 376.545 3.739 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1C[NH+](C)C ZINC000365499206 920869305 /nfs/dbraw/zinc/86/93/05/920869305.db2.gz WHERIIQJLHVDTL-NRFANRHFSA-N 2 1 379.548 3.732 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298754775 920889301 /nfs/dbraw/zinc/88/93/01/920889301.db2.gz SFGSFTFNSAYLLE-PMACEKPBSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000298754775 920889317 /nfs/dbraw/zinc/88/93/17/920889317.db2.gz SFGSFTFNSAYLLE-PMACEKPBSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)(C)OC(=O)NCCC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000902993670 922694112 /nfs/dbraw/zinc/69/41/12/922694112.db2.gz VLDITXQQRLRDET-QZTJIDSGSA-N 2 1 384.524 3.903 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@]23CCOC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000903098978 922770006 /nfs/dbraw/zinc/77/00/06/922770006.db2.gz WNGPKGHJRXNXSE-RSPOEFSDSA-N 2 1 398.469 3.626 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@]23CCOC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000903098978 922770014 /nfs/dbraw/zinc/77/00/14/922770014.db2.gz WNGPKGHJRXNXSE-RSPOEFSDSA-N 2 1 398.469 3.626 20 0 GHADMP Cc1c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)nc2ccccn21 ZINC001137271023 924144539 /nfs/dbraw/zinc/14/45/39/924144539.db2.gz TUMGTWXNECGBDV-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(OC)c1O ZINC000370672747 924249247 /nfs/dbraw/zinc/24/92/47/924249247.db2.gz HHRZMNCDQPTRGG-DNVCBOLYSA-N 2 1 376.522 3.644 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(OC)c1O ZINC000370672747 924249259 /nfs/dbraw/zinc/24/92/59/924249259.db2.gz HHRZMNCDQPTRGG-DNVCBOLYSA-N 2 1 376.522 3.644 20 0 GHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370709933 924269875 /nfs/dbraw/zinc/26/98/75/924269875.db2.gz LABPMOKQPGUGNA-GBXCKJPGSA-N 2 1 393.575 3.820 20 0 GHADMP CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678123123 924617691 /nfs/dbraw/zinc/61/76/91/924617691.db2.gz OBKVNWMFVLUXOC-UHFFFAOYSA-N 2 1 387.499 3.615 20 0 GHADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678293970 924711346 /nfs/dbraw/zinc/71/13/46/924711346.db2.gz JFWDFOVWPYGXRP-NRFANRHFSA-N 2 1 392.547 3.950 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678338499 924732005 /nfs/dbraw/zinc/73/20/05/924732005.db2.gz BUZBAWLOMKOWFG-URXFXBBRSA-N 3 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678338499 924732012 /nfs/dbraw/zinc/73/20/12/924732012.db2.gz BUZBAWLOMKOWFG-URXFXBBRSA-N 3 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678338499 924732023 /nfs/dbraw/zinc/73/20/23/924732023.db2.gz BUZBAWLOMKOWFG-URXFXBBRSA-N 3 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000678338499 924732031 /nfs/dbraw/zinc/73/20/31/924732031.db2.gz BUZBAWLOMKOWFG-URXFXBBRSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000678338499 924732039 /nfs/dbraw/zinc/73/20/39/924732039.db2.gz BUZBAWLOMKOWFG-URXFXBBRSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678338499 924732050 /nfs/dbraw/zinc/73/20/50/924732050.db2.gz BUZBAWLOMKOWFG-URXFXBBRSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678338499 924732067 /nfs/dbraw/zinc/73/20/67/924732067.db2.gz BUZBAWLOMKOWFG-URXFXBBRSA-N 2 1 383.580 3.610 20 0 GHADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000678343685 924735787 /nfs/dbraw/zinc/73/57/87/924735787.db2.gz WXDGYZUMJRHZRY-RTBURBONSA-N 2 1 376.479 3.638 20 0 GHADMP C(=C/C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)\C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678636865 924856425 /nfs/dbraw/zinc/85/64/25/924856425.db2.gz NQOSSXIOYJJBRW-DTEREJKQSA-N 2 1 390.612 3.820 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]nc3ccccc31)CC2 ZINC001137347610 924902718 /nfs/dbraw/zinc/90/27/18/924902718.db2.gz QQULJSFGLFGARC-FQEVSTJZSA-N 2 1 390.531 3.818 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000679174108 925051578 /nfs/dbraw/zinc/05/15/78/925051578.db2.gz HTRMTNZBKHGFCT-FQEVSTJZSA-N 2 1 386.584 3.876 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2)nn1 ZINC001137371170 925099342 /nfs/dbraw/zinc/09/93/42/925099342.db2.gz ZMMWQLXIJACXQO-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)nn1 ZINC001137371170 925099352 /nfs/dbraw/zinc/09/93/52/925099352.db2.gz ZMMWQLXIJACXQO-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)nn1 ZINC001137371170 925099363 /nfs/dbraw/zinc/09/93/63/925099363.db2.gz ZMMWQLXIJACXQO-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065452 925114351 /nfs/dbraw/zinc/11/43/51/925114351.db2.gz DWKOSKTWIAFNMT-SFBLUBFJSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065452 925114356 /nfs/dbraw/zinc/11/43/56/925114356.db2.gz DWKOSKTWIAFNMT-SFBLUBFJSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000372065452 925114362 /nfs/dbraw/zinc/11/43/62/925114362.db2.gz DWKOSKTWIAFNMT-SFBLUBFJSA-N 2 1 399.623 3.909 20 0 GHADMP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400098 925124614 /nfs/dbraw/zinc/12/46/14/925124614.db2.gz KWMKVYKADOJKKT-XBYSBRQOSA-N 2 1 381.564 3.705 20 0 GHADMP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1C1CCCCC1 ZINC000679400098 925124618 /nfs/dbraw/zinc/12/46/18/925124618.db2.gz KWMKVYKADOJKKT-XBYSBRQOSA-N 2 1 381.564 3.705 20 0 GHADMP CN(C)c1cc[nH+]c(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000680257843 925409697 /nfs/dbraw/zinc/40/96/97/925409697.db2.gz WKSQAVZXPQYAII-IBGZPJMESA-N 2 1 392.425 3.541 20 0 GHADMP C[N@@H+](Cc1c(Br)cccc1Br)CC1CC[NH+](C)CC1 ZINC001139601257 925767179 /nfs/dbraw/zinc/76/71/79/925767179.db2.gz INHQOQUHVVNETB-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP C[N@H+](Cc1c(Br)cccc1Br)CC1CC[NH+](C)CC1 ZINC001139601257 925767191 /nfs/dbraw/zinc/76/71/91/925767191.db2.gz INHQOQUHVVNETB-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)cc1 ZINC000543813652 925833533 /nfs/dbraw/zinc/83/35/33/925833533.db2.gz HDUPOHKKDWCQLM-PGRDOPGGSA-N 2 1 379.504 3.888 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000373141204 925884691 /nfs/dbraw/zinc/88/46/91/925884691.db2.gz UMFLXHPJGPMPAL-NQIIRXRSSA-N 2 1 376.504 3.779 20 0 GHADMP c1nnc([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1C1CC1 ZINC000411398331 926366789 /nfs/dbraw/zinc/36/67/89/926366789.db2.gz JERUXLKFZHULJC-OAQYLSRUSA-N 2 1 379.552 3.979 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000390726199 926396847 /nfs/dbraw/zinc/39/68/47/926396847.db2.gz DREYFWWSRNOAEI-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000392233439 926405059 /nfs/dbraw/zinc/40/50/59/926405059.db2.gz CFMVHPNOJBXGEF-ZCNNSNEGSA-N 2 1 377.573 3.796 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 ZINC000411480479 926446601 /nfs/dbraw/zinc/44/66/01/926446601.db2.gz VWVKZRZPVOTRKN-YCRPNKLZSA-N 2 1 378.451 3.776 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000411548672 926511909 /nfs/dbraw/zinc/51/19/09/926511909.db2.gz FRUAGVWQGRDZPC-WMZHIEFXSA-N 2 1 395.547 3.914 20 0 GHADMP CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411691613 926650215 /nfs/dbraw/zinc/65/02/15/926650215.db2.gz NPWOFJYUTBIHOC-HXUWFJFHSA-N 2 1 383.540 3.501 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000751359339 928154305 /nfs/dbraw/zinc/15/43/05/928154305.db2.gz UMVUDXDNLHSBGV-UHFFFAOYSA-N 2 1 391.519 3.738 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000751359339 928154310 /nfs/dbraw/zinc/15/43/10/928154310.db2.gz UMVUDXDNLHSBGV-UHFFFAOYSA-N 2 1 391.519 3.738 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000543932009 928580296 /nfs/dbraw/zinc/58/02/96/928580296.db2.gz PBOSSHNRYMGMEW-JOCHJYFZSA-N 2 1 386.584 3.717 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000543932009 928580303 /nfs/dbraw/zinc/58/03/03/928580303.db2.gz PBOSSHNRYMGMEW-JOCHJYFZSA-N 2 1 386.584 3.717 20 0 GHADMP CC(C)N1CCc2nc(C[N@H+]3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543991 929182973 /nfs/dbraw/zinc/18/29/73/929182973.db2.gz SIHGUBZUMCODIW-JFRXWTBNSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543991 929182979 /nfs/dbraw/zinc/18/29/79/929182979.db2.gz SIHGUBZUMCODIW-JFRXWTBNSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543991 929182986 /nfs/dbraw/zinc/18/29/86/929182986.db2.gz SIHGUBZUMCODIW-JFRXWTBNSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543991 929182994 /nfs/dbraw/zinc/18/29/94/929182994.db2.gz SIHGUBZUMCODIW-JFRXWTBNSA-N 2 1 377.598 3.671 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C ZINC000753662220 929467957 /nfs/dbraw/zinc/46/79/57/929467957.db2.gz QWHMOXQDDRHRQT-IEIRFRATSA-N 2 1 382.548 3.846 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C ZINC000753662220 929467968 /nfs/dbraw/zinc/46/79/68/929467968.db2.gz QWHMOXQDDRHRQT-IEIRFRATSA-N 2 1 382.548 3.846 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000467838628 929490531 /nfs/dbraw/zinc/49/05/31/929490531.db2.gz JPBMODXGUWEPLC-UGKGYDQZSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000757786579 929799261 /nfs/dbraw/zinc/79/92/61/929799261.db2.gz HSKRZKSINJWLDW-OXQOHEQNSA-N 2 1 381.524 3.659 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000757786579 929799264 /nfs/dbraw/zinc/79/92/64/929799264.db2.gz HSKRZKSINJWLDW-OXQOHEQNSA-N 2 1 381.524 3.659 20 0 GHADMP COc1cc2c(cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000546056174 929812270 /nfs/dbraw/zinc/81/22/70/929812270.db2.gz NWLAUTVDJDUGOD-IEBWSBKVSA-N 2 1 382.504 3.814 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000469714419 930105585 /nfs/dbraw/zinc/10/55/85/930105585.db2.gz ZGPIXDPZECRTHW-QZTJIDSGSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000469714419 930105590 /nfs/dbraw/zinc/10/55/90/930105590.db2.gz ZGPIXDPZECRTHW-QZTJIDSGSA-N 2 1 385.474 3.641 20 0 GHADMP CC(C)N(C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CCCC1 ZINC000469786786 930161751 /nfs/dbraw/zinc/16/17/51/930161751.db2.gz KXPZEOLSUVTZNI-WOJBJXKFSA-N 2 1 385.596 3.912 20 0 GHADMP C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000470236058 930475579 /nfs/dbraw/zinc/47/55/79/930475579.db2.gz CLZXGZXDSNXSAN-HYBUGGRVSA-N 2 1 397.607 3.520 20 0 GHADMP C[NH+](C)CC1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCC1 ZINC000546842414 930478735 /nfs/dbraw/zinc/47/87/35/930478735.db2.gz DSEFMBHCQMKSMM-LJQANCHMSA-N 2 1 386.584 3.731 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000546847239 930483252 /nfs/dbraw/zinc/48/32/52/930483252.db2.gz XUNAQGKDHPLQHV-QGZVFWFLSA-N 2 1 383.540 3.663 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000470493373 930662543 /nfs/dbraw/zinc/66/25/43/930662543.db2.gz JSKSSDBBDRGVDS-LEWJYISDSA-N 2 1 380.621 3.791 20 0 GHADMP C[C@@H](NC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781403663 930832019 /nfs/dbraw/zinc/83/20/19/930832019.db2.gz ZVFITGSTTZMPBC-WIYYLYMNSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000557114389 931217040 /nfs/dbraw/zinc/21/70/40/931217040.db2.gz NMWVRUJCFMPXQT-REWPJTCUSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@]1(c2ccccc2)CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000777518455 931339551 /nfs/dbraw/zinc/33/95/51/931339551.db2.gz GZSVHZDCKBAIGJ-XMMPIXPASA-N 2 1 383.580 3.722 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000557679799 931608596 /nfs/dbraw/zinc/60/85/96/931608596.db2.gz NYPFIAFVKGXIEB-UHFFFAOYSA-N 2 1 398.547 3.899 20 0 GHADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)CC1 ZINC000925098369 931645218 /nfs/dbraw/zinc/64/52/18/931645218.db2.gz LQECHPNQBVGTMR-UHFFFAOYSA-N 2 1 394.563 3.958 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000925131879 931668831 /nfs/dbraw/zinc/66/88/31/931668831.db2.gz DZDWMLNXSRADLW-UHFFFAOYSA-N 2 1 376.545 3.741 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+](C)C ZINC000557821986 931706597 /nfs/dbraw/zinc/70/65/97/931706597.db2.gz VJRJLJSKRGIREC-UGKGYDQZSA-N 2 1 388.600 3.748 20 0 GHADMP c1ccc(C[C@@H](Cc2cccnc2)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000925386612 931766146 /nfs/dbraw/zinc/76/61/46/931766146.db2.gz GCEOTKQYRGZPAR-DEOSSOPVSA-N 2 1 393.575 3.860 20 0 GHADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(Br)n3)C2)nc(C)[nH+]1 ZINC000925828402 931917281 /nfs/dbraw/zinc/91/72/81/931917281.db2.gz FYFSXZPKOOJKIV-UKRRQHHQSA-N 2 1 390.329 3.571 20 0 GHADMP OC[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@@H]1c1ccccc1 ZINC000558504827 932040962 /nfs/dbraw/zinc/04/09/62/932040962.db2.gz MWYNWOBLLGKVIJ-RPWUZVMVSA-N 2 1 382.523 3.588 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124144 932056879 /nfs/dbraw/zinc/05/68/79/932056879.db2.gz HCRYGJAQFQZSPH-DVECYGJZSA-N 3 1 381.564 3.556 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124145 932057149 /nfs/dbraw/zinc/05/71/49/932057149.db2.gz HCRYGJAQFQZSPH-NTKDMRAZSA-N 3 1 381.564 3.556 20 0 GHADMP COC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000797076635 932171177 /nfs/dbraw/zinc/17/11/77/932171177.db2.gz SKZWBOXMLMJQIX-UHFFFAOYSA-N 2 1 385.483 3.801 20 0 GHADMP OC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000927156569 932434773 /nfs/dbraw/zinc/43/47/73/932434773.db2.gz LJUWSCCHKXVYMG-LWUNOODGSA-N 2 1 376.544 3.864 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184576 932555279 /nfs/dbraw/zinc/55/52/79/932555279.db2.gz YCOXPODXOGTWIC-IAGOWNOFSA-N 2 1 377.598 3.815 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184576 932555287 /nfs/dbraw/zinc/55/52/87/932555287.db2.gz YCOXPODXOGTWIC-IAGOWNOFSA-N 2 1 377.598 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935049 932823196 /nfs/dbraw/zinc/82/31/96/932823196.db2.gz KKXDMVUPTQSUED-NHTMILBNSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935049 932823199 /nfs/dbraw/zinc/82/31/99/932823199.db2.gz KKXDMVUPTQSUED-NHTMILBNSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000798935049 932823206 /nfs/dbraw/zinc/82/32/06/932823206.db2.gz KKXDMVUPTQSUED-NHTMILBNSA-N 2 1 387.612 3.625 20 0 GHADMP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935678 932823369 /nfs/dbraw/zinc/82/33/69/932823369.db2.gz RNVZCMIPWYQJAF-BWKNWUBXSA-N 2 1 393.575 3.626 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000559751747 932838055 /nfs/dbraw/zinc/83/80/55/932838055.db2.gz AZDATFGZANMFQP-NQIIRXRSSA-N 2 1 384.520 3.680 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000559751747 932838060 /nfs/dbraw/zinc/83/80/60/932838060.db2.gz AZDATFGZANMFQP-NQIIRXRSSA-N 2 1 384.520 3.680 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)CC1 ZINC000799030661 932856661 /nfs/dbraw/zinc/85/66/61/932856661.db2.gz NPCFCIRVTQSSEA-HXUWFJFHSA-N 2 1 398.595 3.828 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1C ZINC000799124979 932883004 /nfs/dbraw/zinc/88/30/04/932883004.db2.gz CZRFQGRGGLVXNN-SIKLNZKXSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1C ZINC000799124979 932883007 /nfs/dbraw/zinc/88/30/07/932883007.db2.gz CZRFQGRGGLVXNN-SIKLNZKXSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@@H]1C ZINC000799124979 932883018 /nfs/dbraw/zinc/88/30/18/932883018.db2.gz CZRFQGRGGLVXNN-SIKLNZKXSA-N 2 1 387.568 3.840 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178928 932900688 /nfs/dbraw/zinc/90/06/88/932900688.db2.gz RYXQAYLCVGQTGO-UHFFFAOYSA-N 2 1 394.357 3.504 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N[C@@H](c3cccs3)C(C)(C)C)C2)CC1 ZINC000799178938 932900982 /nfs/dbraw/zinc/90/09/82/932900982.db2.gz SKYPRBCPBJKSTB-IBGZPJMESA-N 2 1 377.598 3.759 20 0 GHADMP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000559876727 932917446 /nfs/dbraw/zinc/91/74/46/932917446.db2.gz BTCRRGUEEUZISE-OXQOHEQNSA-N 2 1 375.532 3.730 20 0 GHADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000560056582 933041219 /nfs/dbraw/zinc/04/12/19/933041219.db2.gz XFEBUXQGVSOZFZ-KNQAVFIVSA-N 2 1 385.596 3.681 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000561045975 933813822 /nfs/dbraw/zinc/81/38/22/933813822.db2.gz QGIVSZDBLIDLJQ-XLIONFOSSA-N 2 1 378.520 3.507 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]CCc2nnc(-c3ccccc3)o2)cc1 ZINC001117777381 934019091 /nfs/dbraw/zinc/01/90/91/934019091.db2.gz NLFDXPKERAVZIN-TYABSZSSSA-N 2 1 388.515 3.779 20 0 GHADMP Cc1nc(N2CCCCC2)sc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC001118177359 934102342 /nfs/dbraw/zinc/10/23/42/934102342.db2.gz VMIMHFXPWUDJNL-UXHICEINSA-N 2 1 384.593 3.877 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001149079795 934115938 /nfs/dbraw/zinc/11/59/38/934115938.db2.gz MVMIJYSYEFCIBG-RTWAWAEBSA-N 2 1 383.580 3.905 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001149079795 934115944 /nfs/dbraw/zinc/11/59/44/934115944.db2.gz MVMIJYSYEFCIBG-RTWAWAEBSA-N 2 1 383.580 3.905 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3C[C@@]3(C)Br)CC2)cs1 ZINC001119949370 934424311 /nfs/dbraw/zinc/42/43/11/934424311.db2.gz XTKSGACHPGEOKY-RHSMWYFYSA-N 2 1 386.403 3.681 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@@H]2C1 ZINC001120012998 934436608 /nfs/dbraw/zinc/43/66/08/934436608.db2.gz LODDEMBKHNCNMF-JSXRDJHFSA-N 2 1 398.595 3.682 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@@H]4C[C@@H]4c4ccccc4)CC3)C2)cc1 ZINC000561963430 934589989 /nfs/dbraw/zinc/58/99/89/934589989.db2.gz NPCZMVZQVSWDCR-CCDWMCETSA-N 2 1 375.560 3.682 20 0 GHADMP CC(=O)c1ccccc1OCCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562060159 934665875 /nfs/dbraw/zinc/66/58/75/934665875.db2.gz PCBNEXIGMYKRJX-YADHBBJMSA-N 2 1 378.516 3.722 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]CCSCc2ccccc2)c2cccs2)CC1 ZINC000562381405 934843736 /nfs/dbraw/zinc/84/37/36/934843736.db2.gz AKMDTKGSJAKEMD-IBGZPJMESA-N 2 1 375.607 3.560 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297009 935607265 /nfs/dbraw/zinc/60/72/65/935607265.db2.gz SDQSGPQXCFHHAR-BVYCBKJFSA-N 2 1 385.552 3.640 20 0 GHADMP C[N@@H+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000828524374 935652482 /nfs/dbraw/zinc/65/24/82/935652482.db2.gz BLBWTNAXSVCBNA-YOFSQIOKSA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000828524374 935652485 /nfs/dbraw/zinc/65/24/85/935652485.db2.gz BLBWTNAXSVCBNA-YOFSQIOKSA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000828524374 935652488 /nfs/dbraw/zinc/65/24/88/935652488.db2.gz BLBWTNAXSVCBNA-YOFSQIOKSA-N 2 1 379.589 3.971 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC001626111795 1014923132 /nfs/dbraw/zinc/92/31/32/1014923132.db2.gz SHCLSVNNDGYUDQ-VQIMIIECSA-N 2 1 399.501 3.936 20 0 GHADMP CC(C)(C)OC(=O)NCCC1CC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000845965559 1014961377 /nfs/dbraw/zinc/96/13/77/1014961377.db2.gz JSMJSSAJSLNKDE-NYLDSWQDSA-N 2 1 387.568 3.792 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3c3ccccc3)c2)C1 ZINC000468426865 1015698181 /nfs/dbraw/zinc/69/81/81/1015698181.db2.gz HFGCCFFMKWOPGZ-SGNDLWITSA-N 2 1 391.559 3.810 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)cc2c1C ZINC000545313992 1015765650 /nfs/dbraw/zinc/76/56/50/1015765650.db2.gz QCCVFSMMHXADPY-OAQYLSRUSA-N 2 1 382.577 3.925 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCc3ccc4c(c3)OCO4)CCCC2)CC1 ZINC000468553488 1015799707 /nfs/dbraw/zinc/79/97/07/1015799707.db2.gz KJISVLNXFXJHBG-GOSISDBHSA-N 2 1 388.552 3.750 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468612978 1015844318 /nfs/dbraw/zinc/84/43/18/1015844318.db2.gz QJHAMNCAWOLOAD-OAQYLSRUSA-N 2 1 396.579 3.986 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468612978 1015844327 /nfs/dbraw/zinc/84/43/27/1015844327.db2.gz QJHAMNCAWOLOAD-OAQYLSRUSA-N 2 1 396.579 3.986 20 0 GHADMP CCc1ccc(CNC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000469765464 1016617818 /nfs/dbraw/zinc/61/78/18/1016617818.db2.gz STSFOPAHGFPLBP-ROUUACIJSA-N 2 1 399.604 3.673 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000470143126 1016735752 /nfs/dbraw/zinc/73/57/52/1016735752.db2.gz JGGQSRVWYICISZ-NGYIFUPDSA-N 2 1 380.532 3.760 20 0 GHADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470753118 1016881563 /nfs/dbraw/zinc/88/15/63/1016881563.db2.gz CZGUYYSNHAXTGO-GOTSBHOMSA-N 2 1 394.563 3.595 20 0 GHADMP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](c3cc4ccccc4o3)c3ccccn3)C2)CC1 ZINC000925044023 1017033688 /nfs/dbraw/zinc/03/36/88/1017033688.db2.gz YYENAWUWOKCYOH-NTKDMRAZSA-N 2 1 390.531 3.675 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC001226890946 1032178636 /nfs/dbraw/zinc/17/86/36/1032178636.db2.gz NSDJRFQXTWVNIP-VXKWHMMOSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001226890946 1032178648 /nfs/dbraw/zinc/17/86/48/1032178648.db2.gz NSDJRFQXTWVNIP-VXKWHMMOSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC001226890946 1032178656 /nfs/dbraw/zinc/17/86/56/1032178656.db2.gz NSDJRFQXTWVNIP-VXKWHMMOSA-N 2 1 388.600 3.659 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221010976 1032235246 /nfs/dbraw/zinc/23/52/46/1032235246.db2.gz VSHUKALQXBROHS-XZOQPEGZSA-N 2 1 391.559 3.508 20 0 GHADMP [NH3+][C@H]1CCC[C@H](Nc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001154988150 1032368647 /nfs/dbraw/zinc/36/86/47/1032368647.db2.gz PODAZHAHMONCTM-GJZGRUSLSA-N 2 1 385.581 3.848 20 0 GHADMP CC(C)(CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001221495477 1032437066 /nfs/dbraw/zinc/43/70/66/1032437066.db2.gz KCLDJUAWAJXGKX-QFIPXVFZSA-N 2 1 398.595 3.530 20 0 GHADMP CC(C)(CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001221495477 1032437070 /nfs/dbraw/zinc/43/70/70/1032437070.db2.gz KCLDJUAWAJXGKX-QFIPXVFZSA-N 2 1 398.595 3.530 20 0 GHADMP CC(C)(CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001221495477 1032437076 /nfs/dbraw/zinc/43/70/76/1032437076.db2.gz KCLDJUAWAJXGKX-QFIPXVFZSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001221581311 1032469010 /nfs/dbraw/zinc/46/90/10/1032469010.db2.gz VNURGPTUSCJKHO-VXKWHMMOSA-N 2 1 386.584 3.696 20 0 GHADMP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C)c1Cl ZINC001155364698 1032521191 /nfs/dbraw/zinc/52/11/91/1032521191.db2.gz VGRNCISOMYDDNM-IBGZPJMESA-N 2 1 399.970 3.661 20 0 GHADMP CCc1c(Cl)ncnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155360891 1032518200 /nfs/dbraw/zinc/51/82/00/1032518200.db2.gz GCUCHQITNXZNKM-GOSISDBHSA-N 2 1 399.970 3.606 20 0 GHADMP c1cc2nc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc2o1 ZINC001155364524 1032521234 /nfs/dbraw/zinc/52/12/34/1032521234.db2.gz SNHXNNYFFPJPNV-IBGZPJMESA-N 2 1 376.504 3.742 20 0 GHADMP Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1Cl ZINC001155364475 1032519839 /nfs/dbraw/zinc/51/98/39/1032519839.db2.gz RJVXNDNAESCHRR-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP Cc1[nH+]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc2[nH]ccc21 ZINC001155363250 1032520125 /nfs/dbraw/zinc/52/01/25/1032520125.db2.gz KONWOSRGXIDOLV-HXUWFJFHSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1nc2scc(-c3cccs3)c2c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155382478 1032526567 /nfs/dbraw/zinc/52/65/67/1032526567.db2.gz NXZHXDYFYKHXSM-OAHLLOKOSA-N 2 1 399.589 3.588 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)nc1 ZINC001155390747 1032529139 /nfs/dbraw/zinc/52/91/39/1032529139.db2.gz REDGDPSXKDXTNB-NHCUHLMSSA-N 2 1 386.584 3.979 20 0 GHADMP C[C@H](Nc1cccc(OCCC[NH+](C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777686579 1017518157 /nfs/dbraw/zinc/51/81/57/1017518157.db2.gz ARHFQMVSIMHNEG-GBXCKJPGSA-N 2 1 397.563 3.719 20 0 GHADMP C[C@H](Nc1cccc(OCCC[NH+](C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777686579 1017518174 /nfs/dbraw/zinc/51/81/74/1017518174.db2.gz ARHFQMVSIMHNEG-GBXCKJPGSA-N 2 1 397.563 3.719 20 0 GHADMP Cn1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c2ccccc21 ZINC001204317395 1032762392 /nfs/dbraw/zinc/76/23/92/1032762392.db2.gz UKCUELCFASBLDH-UHFFFAOYSA-N 2 1 379.504 3.638 20 0 GHADMP Cn1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c2ccccc21 ZINC001204317395 1032762399 /nfs/dbraw/zinc/76/23/99/1032762399.db2.gz UKCUELCFASBLDH-UHFFFAOYSA-N 2 1 379.504 3.638 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)s3)C2)nn1 ZINC000562750689 1018602328 /nfs/dbraw/zinc/60/23/28/1018602328.db2.gz SCSVAYAANVMLNO-KRWDZBQOSA-N 2 1 387.940 3.956 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168850 1032819370 /nfs/dbraw/zinc/81/93/70/1032819370.db2.gz OVARXBZDJJMCJO-MOPGFXCFSA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168850 1032819382 /nfs/dbraw/zinc/81/93/82/1032819382.db2.gz OVARXBZDJJMCJO-MOPGFXCFSA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168850 1032819407 /nfs/dbraw/zinc/81/94/07/1032819407.db2.gz OVARXBZDJJMCJO-MOPGFXCFSA-N 2 1 394.991 3.895 20 0 GHADMP CCc1nc2c(s1)[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CCC2 ZINC000571827761 1019714799 /nfs/dbraw/zinc/71/47/99/1019714799.db2.gz SAMZHMPMGIKGRL-UYAOXDASSA-N 2 1 384.593 3.661 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001204446037 1032886684 /nfs/dbraw/zinc/88/66/84/1032886684.db2.gz CGGFWOMNYQBYQF-DEOSSOPVSA-N 2 1 396.579 3.812 20 0 GHADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961792 1020785333 /nfs/dbraw/zinc/78/53/33/1020785333.db2.gz ILVFVKJOQZCKDC-JXFKEZNVSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961792 1020785341 /nfs/dbraw/zinc/78/53/41/1020785341.db2.gz ILVFVKJOQZCKDC-JXFKEZNVSA-N 2 1 397.485 3.689 20 0 GHADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NO[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000779651868 1020910675 /nfs/dbraw/zinc/91/06/75/1020910675.db2.gz MAXOIFDXLVYPLF-DYVFJYSZSA-N 2 1 392.887 3.664 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NO[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000779651868 1020910676 /nfs/dbraw/zinc/91/06/76/1020910676.db2.gz MAXOIFDXLVYPLF-DYVFJYSZSA-N 2 1 392.887 3.664 20 0 GHADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001204522331 1032947057 /nfs/dbraw/zinc/94/70/57/1032947057.db2.gz VSQAKZYLXAXKAO-WXFUMESZSA-N 2 1 386.580 3.784 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccn(C(F)F)c2=O)cc1 ZINC000638363125 1021040967 /nfs/dbraw/zinc/04/09/67/1021040967.db2.gz ITUIUQBTTRECHN-INIZCTEOSA-N 2 1 375.463 3.908 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1F ZINC001204561790 1032973095 /nfs/dbraw/zinc/97/30/95/1032973095.db2.gz UVLGBHCQDCESIH-RCZSKKKRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1F ZINC001204561790 1032973097 /nfs/dbraw/zinc/97/30/97/1032973097.db2.gz UVLGBHCQDCESIH-RCZSKKKRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1F ZINC001204561790 1032973099 /nfs/dbraw/zinc/97/30/99/1032973099.db2.gz UVLGBHCQDCESIH-RCZSKKKRSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1F ZINC001204561790 1032973105 /nfs/dbraw/zinc/97/31/05/1032973105.db2.gz UVLGBHCQDCESIH-RCZSKKKRSA-N 2 1 383.511 3.962 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC001203027750 1021481950 /nfs/dbraw/zinc/48/19/50/1021481950.db2.gz FZRUFVJPTQAZKY-SGNDLWITSA-N 2 1 378.564 3.745 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC001203027750 1021481958 /nfs/dbraw/zinc/48/19/58/1021481958.db2.gz FZRUFVJPTQAZKY-SGNDLWITSA-N 2 1 378.564 3.745 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC001203027750 1021481964 /nfs/dbraw/zinc/48/19/64/1021481964.db2.gz FZRUFVJPTQAZKY-SGNDLWITSA-N 2 1 378.564 3.745 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC001203027750 1021481976 /nfs/dbraw/zinc/48/19/76/1021481976.db2.gz FZRUFVJPTQAZKY-SGNDLWITSA-N 2 1 378.564 3.745 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc4c(c3)CCC4)O2)CC1 ZINC001203029960 1021521310 /nfs/dbraw/zinc/52/13/10/1021521310.db2.gz XWGOKSMBPQAQHF-UBFVSLLYSA-N 2 1 398.591 3.656 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000835068332 1021854215 /nfs/dbraw/zinc/85/42/15/1021854215.db2.gz GHASHFUCRJSLOC-AEFFLSMTSA-N 2 1 399.539 3.558 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523673 1021915464 /nfs/dbraw/zinc/91/54/64/1021915464.db2.gz SYNAGJAUDPMDNU-DBVUQKKJSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523673 1021915467 /nfs/dbraw/zinc/91/54/67/1021915467.db2.gz SYNAGJAUDPMDNU-DBVUQKKJSA-N 2 1 399.560 3.662 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(O)c(C)c4)CC3)C2)cc1 ZINC001140575467 1021995199 /nfs/dbraw/zinc/99/51/99/1021995199.db2.gz OJGDYVXAELJVJT-UHFFFAOYSA-N 2 1 380.532 3.876 20 0 GHADMP CN(c1cnc2cc(Cl)c(Cl)cc2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679845623 1022052077 /nfs/dbraw/zinc/05/20/77/1022052077.db2.gz JQJICHJLIPGSSW-AWEZNQCLSA-N 2 1 394.350 3.541 20 0 GHADMP CN(c1cnc2cc(Cl)c(Cl)cc2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679845623 1022052095 /nfs/dbraw/zinc/05/20/95/1022052095.db2.gz JQJICHJLIPGSSW-AWEZNQCLSA-N 2 1 394.350 3.541 20 0 GHADMP COc1cccc2c1CC[NH+](C/C=C/C[N@H+]1CCc3c(cccc3OC)C1)C2 ZINC000679874145 1022057573 /nfs/dbraw/zinc/05/75/73/1022057573.db2.gz WTSPQVJDALHCJB-ONEGZZNKSA-N 2 1 378.516 3.676 20 0 GHADMP COc1cccc2c1CC[NH+](C/C=C/C[N@@H+]1CCc3c(cccc3OC)C1)C2 ZINC000679874145 1022057584 /nfs/dbraw/zinc/05/75/84/1022057584.db2.gz WTSPQVJDALHCJB-ONEGZZNKSA-N 2 1 378.516 3.676 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4ccncc42)CC3)cn1 ZINC001140643331 1022139758 /nfs/dbraw/zinc/13/97/58/1022139758.db2.gz SMCZTFOCAYZYHM-UHFFFAOYSA-N 2 1 375.520 3.599 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4ccncc42)CC3)cn1 ZINC001140643331 1022139759 /nfs/dbraw/zinc/13/97/59/1022139759.db2.gz SMCZTFOCAYZYHM-UHFFFAOYSA-N 2 1 375.520 3.599 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)c1 ZINC001140674112 1022229158 /nfs/dbraw/zinc/22/91/58/1022229158.db2.gz MSHQNVRQYFBFHQ-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)c1 ZINC001140674112 1022229164 /nfs/dbraw/zinc/22/91/64/1022229164.db2.gz MSHQNVRQYFBFHQ-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001140674112 1022229175 /nfs/dbraw/zinc/22/91/75/1022229175.db2.gz MSHQNVRQYFBFHQ-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)c1 ZINC001140674112 1022229184 /nfs/dbraw/zinc/22/91/84/1022229184.db2.gz MSHQNVRQYFBFHQ-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1[nH]cc(C)c1C)CC2 ZINC001140860932 1022722135 /nfs/dbraw/zinc/72/21/35/1022722135.db2.gz YVLTZWNKVGGODS-NRFANRHFSA-N 2 1 382.552 3.530 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)C(C)(C)C ZINC000755065871 1023055311 /nfs/dbraw/zinc/05/53/11/1023055311.db2.gz JSOZNPXEVMTPFO-HOJAQTOUSA-N 2 1 380.621 3.647 20 0 GHADMP Clc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000755196367 1023119774 /nfs/dbraw/zinc/11/97/74/1023119774.db2.gz SRRRXWJQYKCZTC-OAHLLOKOSA-N 2 1 387.749 3.836 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N[C@H]4CC[N@H+](C)C4)c23)C1 ZINC001156581090 1033113065 /nfs/dbraw/zinc/11/30/65/1033113065.db2.gz ASWBKAJDEDPEIF-GJZGRUSLSA-N 2 1 385.581 3.528 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N[C@H]4CC[N@@H+](C)C4)c23)C1 ZINC001156581090 1033113069 /nfs/dbraw/zinc/11/30/69/1033113069.db2.gz ASWBKAJDEDPEIF-GJZGRUSLSA-N 2 1 385.581 3.528 20 0 GHADMP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001141064246 1023413586 /nfs/dbraw/zinc/41/35/86/1023413586.db2.gz TWTUGNGHLNURPH-NRFANRHFSA-N 2 1 389.559 3.617 20 0 GHADMP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001141064246 1023413594 /nfs/dbraw/zinc/41/35/94/1023413594.db2.gz TWTUGNGHLNURPH-NRFANRHFSA-N 2 1 389.559 3.617 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+](Cc1cccc(C(C)(C)C)c1)CCC2 ZINC001141104276 1023506295 /nfs/dbraw/zinc/50/62/95/1023506295.db2.gz YFQXYGDVPYKCNI-UHFFFAOYSA-N 2 1 384.568 3.665 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1cccc(C(C)(C)C)c1)CCC2 ZINC001141104276 1023506311 /nfs/dbraw/zinc/50/63/11/1023506311.db2.gz YFQXYGDVPYKCNI-UHFFFAOYSA-N 2 1 384.568 3.665 20 0 GHADMP CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138057091 1023962567 /nfs/dbraw/zinc/96/25/67/1023962567.db2.gz GWLUPITUAYOVAL-DHIUTWEWSA-N 2 1 379.548 3.802 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001138158736 1024267157 /nfs/dbraw/zinc/26/71/57/1024267157.db2.gz ARZPCPAISGRSRH-UHFFFAOYSA-N 2 1 389.613 3.768 20 0 GHADMP O=C1OC[C@@H](c2ccccc2)N1C1CC[NH+](CCC[NH2+]C2CCCCC2)CC1 ZINC001205026804 1033217490 /nfs/dbraw/zinc/21/74/90/1033217490.db2.gz ZSHFOBKTQOXCMM-QFIPXVFZSA-N 2 1 385.552 3.957 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1C ZINC001205074154 1033236218 /nfs/dbraw/zinc/23/62/18/1033236218.db2.gz FSDUEOKLJBPWBB-HSZRJFAPSA-N 2 1 379.548 3.954 20 0 GHADMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001138491369 1024923588 /nfs/dbraw/zinc/92/35/88/1024923588.db2.gz LYWKNXDHZKAAOE-IOMROCGXSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001138491369 1024923594 /nfs/dbraw/zinc/92/35/94/1024923594.db2.gz LYWKNXDHZKAAOE-IOMROCGXSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001138491369 1024923598 /nfs/dbraw/zinc/92/35/98/1024923598.db2.gz LYWKNXDHZKAAOE-IOMROCGXSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001138491369 1024923604 /nfs/dbraw/zinc/92/36/04/1024923604.db2.gz LYWKNXDHZKAAOE-IOMROCGXSA-N 2 1 384.593 3.942 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138547092 1024993391 /nfs/dbraw/zinc/99/33/91/1024993391.db2.gz FFYDTSBOOGTZMM-UHFFFAOYSA-N 2 1 382.508 3.670 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001138549390 1024996268 /nfs/dbraw/zinc/99/62/68/1024996268.db2.gz WATIIPLXBOMLTR-IBGZPJMESA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001138549390 1024996273 /nfs/dbraw/zinc/99/62/73/1024996273.db2.gz WATIIPLXBOMLTR-IBGZPJMESA-N 2 1 384.524 3.870 20 0 GHADMP CCCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138637563 1025145270 /nfs/dbraw/zinc/14/52/70/1025145270.db2.gz BEZVTCPVHRSRBC-WWPVKYPJSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138637563 1025145276 /nfs/dbraw/zinc/14/52/76/1025145276.db2.gz BEZVTCPVHRSRBC-WWPVKYPJSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138637563 1025145282 /nfs/dbraw/zinc/14/52/82/1025145282.db2.gz BEZVTCPVHRSRBC-WWPVKYPJSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138637563 1025145287 /nfs/dbraw/zinc/14/52/87/1025145287.db2.gz BEZVTCPVHRSRBC-WWPVKYPJSA-N 2 1 381.568 3.729 20 0 GHADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001138720364 1025246517 /nfs/dbraw/zinc/24/65/17/1025246517.db2.gz NAGXAMLMOVFQRD-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP COC[C@H](C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1cccc(OC)c1 ZINC001138773207 1025343671 /nfs/dbraw/zinc/34/36/71/1025343671.db2.gz WECKZSAOPFXGQC-IBGZPJMESA-N 2 1 386.536 3.673 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3ccnn31)CC2 ZINC001138805970 1025397181 /nfs/dbraw/zinc/39/71/81/1025397181.db2.gz SJDYAOUVMSMXHC-HXUWFJFHSA-N 2 1 396.560 3.651 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001141546072 1025464423 /nfs/dbraw/zinc/46/44/23/1025464423.db2.gz BSEYIPKFEADBEZ-UHFFFAOYSA-N 2 1 395.547 3.922 20 0 GHADMP C[C@H](C(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001161896644 1025480885 /nfs/dbraw/zinc/48/08/85/1025480885.db2.gz PGMIZAJJUHWHNA-HSALFYBXSA-N 2 1 379.548 3.743 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001141557740 1025532739 /nfs/dbraw/zinc/53/27/39/1025532739.db2.gz JHTXXURYPPNLGC-NRFANRHFSA-N 2 1 376.504 3.685 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001141557403 1025533903 /nfs/dbraw/zinc/53/39/03/1025533903.db2.gz FXHMQXSJSHZTLT-BJKOFHAPSA-N 2 1 391.559 3.647 20 0 GHADMP CC(C)(C)OC(=O)[C@@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccccc1 ZINC001162056921 1025573462 /nfs/dbraw/zinc/57/34/62/1025573462.db2.gz MMOFPVJGFXOMDY-FQEVSTJZSA-N 2 1 378.476 3.516 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+](CC)Cc2cccs2)c1C ZINC001141575049 1025638496 /nfs/dbraw/zinc/63/84/96/1025638496.db2.gz MRARIMXIMBZKAM-UHFFFAOYSA-N 2 1 390.597 3.787 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](CC)Cc2cccs2)c1C ZINC001141575049 1025638521 /nfs/dbraw/zinc/63/85/21/1025638521.db2.gz MRARIMXIMBZKAM-UHFFFAOYSA-N 2 1 390.597 3.787 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N[C@H]4C[C@@](C)([NH3+])C4)c23)C1 ZINC001162328970 1025717385 /nfs/dbraw/zinc/71/73/85/1025717385.db2.gz ULYOXIPYMHPMLQ-DGCWBMGLSA-N 2 1 385.581 3.704 20 0 GHADMP CCOc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004485 1025750306 /nfs/dbraw/zinc/75/03/06/1025750306.db2.gz XFEHCQREGSVKNJ-QFIPXVFZSA-N 2 1 396.531 3.965 20 0 GHADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004485 1025750325 /nfs/dbraw/zinc/75/03/25/1025750325.db2.gz XFEHCQREGSVKNJ-QFIPXVFZSA-N 2 1 396.531 3.965 20 0 GHADMP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004485 1025750345 /nfs/dbraw/zinc/75/03/45/1025750345.db2.gz XFEHCQREGSVKNJ-QFIPXVFZSA-N 2 1 396.531 3.965 20 0 GHADMP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(C)=O ZINC001139004485 1025750366 /nfs/dbraw/zinc/75/03/66/1025750366.db2.gz XFEHCQREGSVKNJ-QFIPXVFZSA-N 2 1 396.531 3.965 20 0 GHADMP CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(C)(C)C[NH+]1CCCC1 ZINC001162451682 1025751803 /nfs/dbraw/zinc/75/18/03/1025751803.db2.gz TUQJNNGXSXGMJE-OAQYLSRUSA-N 2 1 383.580 3.622 20 0 GHADMP COC(=N)c1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162940578 1025977661 /nfs/dbraw/zinc/97/76/61/1025977661.db2.gz HSEGSBYXBXIPSJ-NRFANRHFSA-N 2 1 392.547 3.572 20 0 GHADMP COC(=[NH2+])c1cccc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162940578 1025977662 /nfs/dbraw/zinc/97/76/62/1025977662.db2.gz HSEGSBYXBXIPSJ-NRFANRHFSA-N 3 1 392.547 3.572 20 0 GHADMP COC(=[NH2+])c1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162940578 1025977670 /nfs/dbraw/zinc/97/76/70/1025977670.db2.gz HSEGSBYXBXIPSJ-NRFANRHFSA-N 3 1 392.547 3.572 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1c[nH+]c(N3CCOCC3)cc1C)CC21CC[NH2+]CC1 ZINC001163033353 1026016112 /nfs/dbraw/zinc/01/61/12/1026016112.db2.gz DFAOUNWEMGSLNI-OAQYLSRUSA-N 2 1 392.547 3.713 20 0 GHADMP Cc1cccc2[nH]cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)c21 ZINC001139196866 1026039696 /nfs/dbraw/zinc/03/96/96/1026039696.db2.gz ZYVBBXFFLLDKRB-UHFFFAOYSA-N 2 1 377.536 3.717 20 0 GHADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1O ZINC001461053284 1069363966 /nfs/dbraw/zinc/36/39/66/1069363966.db2.gz UISICCBLFRWWBB-CQSZACIVSA-N 2 1 385.346 3.765 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000839608715 1026110573 /nfs/dbraw/zinc/11/05/73/1026110573.db2.gz WTHULZWYJLBYGM-LJQANCHMSA-N 2 1 397.485 3.563 20 0 GHADMP COc1cccc([C@H](C[NH3+])Nc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001163305254 1026132914 /nfs/dbraw/zinc/13/29/14/1026132914.db2.gz CSFGKQSHJYXAIO-QHCPKHFHSA-N 2 1 388.515 3.760 20 0 GHADMP OC1CCN(c2ccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)s2)CC1 ZINC001139291054 1026142843 /nfs/dbraw/zinc/14/28/43/1026142843.db2.gz WDUQNKZYVYLQRK-UHFFFAOYSA-N 2 1 389.609 3.550 20 0 GHADMP OC1CCN(c2ccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)s2)CC1 ZINC001139291054 1026142845 /nfs/dbraw/zinc/14/28/45/1026142845.db2.gz WDUQNKZYVYLQRK-UHFFFAOYSA-N 2 1 389.609 3.550 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3c2CC[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC001163363384 1026160400 /nfs/dbraw/zinc/16/04/00/1026160400.db2.gz QOJZHLZXEYZNBT-GHTZIAJQSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](Nc2ncnc3c2CC[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC001163363384 1026160410 /nfs/dbraw/zinc/16/04/10/1026160410.db2.gz QOJZHLZXEYZNBT-GHTZIAJQSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[NH+]1CC[C@@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC001163363384 1026160416 /nfs/dbraw/zinc/16/04/16/1026160416.db2.gz QOJZHLZXEYZNBT-GHTZIAJQSA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[NH+]1CC[C@@H](Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC001163363384 1026160421 /nfs/dbraw/zinc/16/04/21/1026160421.db2.gz QOJZHLZXEYZNBT-GHTZIAJQSA-N 2 1 379.552 3.566 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CCC4(CC[N@H+](Cc5ccoc5)C4)CC3)cc2)cn1 ZINC001139360490 1026233713 /nfs/dbraw/zinc/23/37/13/1026233713.db2.gz XSJQWQPOLPQOPK-UHFFFAOYSA-N 2 1 376.504 3.953 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001139361788 1026236561 /nfs/dbraw/zinc/23/65/61/1026236561.db2.gz PYIFALKWWCGUKK-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001139361788 1026236574 /nfs/dbraw/zinc/23/65/74/1026236574.db2.gz PYIFALKWWCGUKK-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001139361788 1026236590 /nfs/dbraw/zinc/23/65/90/1026236590.db2.gz PYIFALKWWCGUKK-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP CN(CC[NH3+])c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001163689651 1026284757 /nfs/dbraw/zinc/28/47/57/1026284757.db2.gz BAZUUWWYPZVFMH-UHFFFAOYSA-N 2 1 381.549 3.739 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001139422063 1026292197 /nfs/dbraw/zinc/29/21/97/1026292197.db2.gz PDVFVACNAVRJLM-JVNMPXIPSA-N 2 1 389.547 3.662 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001139422063 1026292207 /nfs/dbraw/zinc/29/22/07/1026292207.db2.gz PDVFVACNAVRJLM-JVNMPXIPSA-N 2 1 389.547 3.662 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001139422063 1026292215 /nfs/dbraw/zinc/29/22/15/1026292215.db2.gz PDVFVACNAVRJLM-JVNMPXIPSA-N 2 1 389.547 3.662 20 0 GHADMP C[NH2+]CCN(C)c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC001163722590 1026294638 /nfs/dbraw/zinc/29/46/38/1026294638.db2.gz RRFCJFCPBMVVGZ-UHFFFAOYSA-N 2 1 395.576 4.000 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)CC[C@H]3C[NH3+])c2c1C ZINC001164073093 1026402296 /nfs/dbraw/zinc/40/22/96/1026402296.db2.gz HNHYHJFBVREHSN-PBHICJAKSA-N 2 1 387.597 3.858 20 0 GHADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001139553635 1026422865 /nfs/dbraw/zinc/42/28/65/1026422865.db2.gz HYNLIHMILWFWJR-UHFFFAOYSA-N 2 1 387.531 3.960 20 0 GHADMP c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001139553635 1026422876 /nfs/dbraw/zinc/42/28/76/1026422876.db2.gz HYNLIHMILWFWJR-UHFFFAOYSA-N 2 1 387.531 3.960 20 0 GHADMP c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001139553635 1026422881 /nfs/dbraw/zinc/42/28/81/1026422881.db2.gz HYNLIHMILWFWJR-UHFFFAOYSA-N 2 1 387.531 3.960 20 0 GHADMP CC(C)Oc1cc(Br)ccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164217562 1026455937 /nfs/dbraw/zinc/45/59/37/1026455937.db2.gz XLGCWTWWRILWQQ-UHFFFAOYSA-N 2 1 384.362 3.674 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H](C[NH3+])CC[C@H]3C)c2c1C ZINC001164473795 1026519902 /nfs/dbraw/zinc/51/99/02/1026519902.db2.gz JOAGUMOZDOIUSJ-RHSMWYFYSA-N 2 1 387.597 3.858 20 0 GHADMP C[C@H]1CC[C@@H](C[NH3+])CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001164475402 1026521014 /nfs/dbraw/zinc/52/10/14/1026521014.db2.gz ZQQOFBCUNRRJRL-HOTGVXAUSA-N 2 1 395.576 3.984 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC001139825819 1026644930 /nfs/dbraw/zinc/64/49/30/1026644930.db2.gz IBIUEURUYSAPNU-KRWDZBQOSA-N 2 1 390.549 3.743 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC001139825820 1026645393 /nfs/dbraw/zinc/64/53/93/1026645393.db2.gz IBIUEURUYSAPNU-QGZVFWFLSA-N 2 1 390.549 3.743 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)cc1 ZINC001165213333 1026669446 /nfs/dbraw/zinc/66/94/46/1026669446.db2.gz RLPVWYVZFXEUAM-JOCHJYFZSA-N 2 1 399.510 3.988 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4-c4cncnc4)C[C@@H]3C2)c1 ZINC001140018361 1026801634 /nfs/dbraw/zinc/80/16/34/1026801634.db2.gz SOCZRSVHQGXOLL-WOJBJXKFSA-N 2 1 376.529 3.769 20 0 GHADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)COc2ccccc2O1 ZINC001203241715 1027244427 /nfs/dbraw/zinc/24/44/27/1027244427.db2.gz DFINQYWXSLDSKP-QHCPKHFHSA-N 2 1 384.495 3.652 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1F)CC2 ZINC001203348228 1027285410 /nfs/dbraw/zinc/28/54/10/1027285410.db2.gz MWAGDVOKLQZUSL-GOSISDBHSA-N 2 1 389.540 3.785 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1F)CC2 ZINC001203348228 1027285427 /nfs/dbraw/zinc/28/54/27/1027285427.db2.gz MWAGDVOKLQZUSL-GOSISDBHSA-N 2 1 389.540 3.785 20 0 GHADMP Cc1nc(CN2CCO[C@@H]3C[N@@H+](Cc4ccccc4Cl)CC[C@@H]3C2)cs1 ZINC001203381822 1027300384 /nfs/dbraw/zinc/30/03/84/1027300384.db2.gz IPGWFKXMFDWPBI-YLJYHZDGSA-N 2 1 391.968 3.828 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(OC)c1 ZINC001203479498 1027369464 /nfs/dbraw/zinc/36/94/64/1027369464.db2.gz XCGOVJLDFPJRLE-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP FC(F)(F)c1cccc(-c2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)on2)c1 ZINC001210261783 1027411252 /nfs/dbraw/zinc/41/12/52/1027411252.db2.gz GLESKQHLGYDDBU-UHFFFAOYSA-N 2 1 389.381 3.909 20 0 GHADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CCN(Cc2ccccc2)CC1 ZINC001210546652 1027551249 /nfs/dbraw/zinc/55/12/49/1027551249.db2.gz ZIQKLKUNOUEDRD-UHFFFAOYSA-N 2 1 388.559 3.841 20 0 GHADMP COc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(Cl)c1OC ZINC001461257709 1069464681 /nfs/dbraw/zinc/46/46/81/1069464681.db2.gz PRNZALCLTNWXSM-UHFFFAOYSA-N 2 1 390.915 3.523 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001203962792 1027760026 /nfs/dbraw/zinc/76/00/26/1027760026.db2.gz WIJDFTGZBKLZJW-HXUWFJFHSA-N 2 1 384.520 3.934 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(OCc2ccccc2)cc1 ZINC001203963416 1027760919 /nfs/dbraw/zinc/76/09/19/1027760919.db2.gz RKNIYFHKRMWYCA-UHFFFAOYSA-N 2 1 384.520 3.582 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OCc2ccccc2)cc1 ZINC001203963416 1027760938 /nfs/dbraw/zinc/76/09/38/1027760938.db2.gz RKNIYFHKRMWYCA-UHFFFAOYSA-N 2 1 384.520 3.582 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001203964470 1027763978 /nfs/dbraw/zinc/76/39/78/1027763978.db2.gz GYNBDCNTLAZLMJ-GPXNEJASSA-N 2 1 394.563 3.657 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001203964470 1027763999 /nfs/dbraw/zinc/76/39/99/1027763999.db2.gz GYNBDCNTLAZLMJ-GPXNEJASSA-N 2 1 394.563 3.657 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001203964470 1027764022 /nfs/dbraw/zinc/76/40/22/1027764022.db2.gz GYNBDCNTLAZLMJ-GPXNEJASSA-N 2 1 394.563 3.657 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001203964470 1027764040 /nfs/dbraw/zinc/76/40/40/1027764040.db2.gz GYNBDCNTLAZLMJ-GPXNEJASSA-N 2 1 394.563 3.657 20 0 GHADMP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000840862982 1027899407 /nfs/dbraw/zinc/89/94/07/1027899407.db2.gz DCQZKLMMBNPHPR-GPJHCHHRSA-N 2 1 393.531 3.892 20 0 GHADMP C[N@@H+](CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001142375416 1028779405 /nfs/dbraw/zinc/77/94/05/1028779405.db2.gz ZCGFGVIDVLWDTP-JOCHJYFZSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+](CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001142375416 1028779415 /nfs/dbraw/zinc/77/94/15/1028779415.db2.gz ZCGFGVIDVLWDTP-JOCHJYFZSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001142375416 1028779431 /nfs/dbraw/zinc/77/94/31/1028779431.db2.gz ZCGFGVIDVLWDTP-JOCHJYFZSA-N 2 1 383.580 3.669 20 0 GHADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001142375417 1028781646 /nfs/dbraw/zinc/78/16/46/1028781646.db2.gz ZCGFGVIDVLWDTP-QFIPXVFZSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+](CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001142375417 1028781662 /nfs/dbraw/zinc/78/16/62/1028781662.db2.gz ZCGFGVIDVLWDTP-QFIPXVFZSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001142375417 1028781675 /nfs/dbraw/zinc/78/16/75/1028781675.db2.gz ZCGFGVIDVLWDTP-QFIPXVFZSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1Br ZINC001461429064 1069545141 /nfs/dbraw/zinc/54/51/41/1069545141.db2.gz CIJQRHDZFMAXAY-IBGZPJMESA-N 2 1 389.337 3.614 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000841675564 1028820420 /nfs/dbraw/zinc/82/04/20/1028820420.db2.gz VOSZEVSRJRXEES-IBGZPJMESA-N 2 1 394.563 3.562 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841674231 1028821540 /nfs/dbraw/zinc/82/15/40/1028821540.db2.gz NRKYKDOIXPOOPG-LJQANCHMSA-N 2 1 394.563 3.562 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001215876941 1029435775 /nfs/dbraw/zinc/43/57/75/1029435775.db2.gz ZVRIUKJCCWVFQF-HNNXBMFYSA-N 2 1 388.478 3.575 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC001215876941 1029435783 /nfs/dbraw/zinc/43/57/83/1029435783.db2.gz ZVRIUKJCCWVFQF-HNNXBMFYSA-N 2 1 388.478 3.575 20 0 GHADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679369 1029484812 /nfs/dbraw/zinc/48/48/12/1029484812.db2.gz LYRJAVXREZZHOI-UGKGYDQZSA-N 2 1 386.486 3.959 20 0 GHADMP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679369 1029484821 /nfs/dbraw/zinc/48/48/21/1029484821.db2.gz LYRJAVXREZZHOI-UGKGYDQZSA-N 2 1 386.486 3.959 20 0 GHADMP CC(C)(C)OC(=O)n1cc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001142801232 1029486580 /nfs/dbraw/zinc/48/65/80/1029486580.db2.gz FZKDXJLDTCNTNT-UHFFFAOYSA-N 2 1 396.535 3.764 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842698440 1029506436 /nfs/dbraw/zinc/50/64/36/1029506436.db2.gz POWCPPJRPVEMTA-QJOWDPPASA-N 2 1 391.559 3.999 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842698440 1029506444 /nfs/dbraw/zinc/50/64/44/1029506444.db2.gz POWCPPJRPVEMTA-QJOWDPPASA-N 2 1 391.559 3.999 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001142848477 1029578263 /nfs/dbraw/zinc/57/82/63/1029578263.db2.gz OMZNYRNVEHOVJF-LJQANCHMSA-N 2 1 391.987 3.885 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001142910802 1029675893 /nfs/dbraw/zinc/67/58/93/1029675893.db2.gz NTAGFBGEUDIZOV-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001142910802 1029675900 /nfs/dbraw/zinc/67/59/00/1029675900.db2.gz NTAGFBGEUDIZOV-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001142910802 1029675904 /nfs/dbraw/zinc/67/59/04/1029675904.db2.gz NTAGFBGEUDIZOV-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001143140426 1029865290 /nfs/dbraw/zinc/86/52/90/1029865290.db2.gz PTKPQDIBUFZNRN-QFIPXVFZSA-N 2 1 391.559 3.746 20 0 GHADMP COc1cc(C)cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001143152711 1029871465 /nfs/dbraw/zinc/87/14/65/1029871465.db2.gz PQJVZOQPSZSUHM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001143152711 1029871475 /nfs/dbraw/zinc/87/14/75/1029871475.db2.gz PQJVZOQPSZSUHM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001143152711 1029871478 /nfs/dbraw/zinc/87/14/78/1029871478.db2.gz PQJVZOQPSZSUHM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001143152711 1029871482 /nfs/dbraw/zinc/87/14/82/1029871482.db2.gz PQJVZOQPSZSUHM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C(C)C ZINC001222127357 1029972134 /nfs/dbraw/zinc/97/21/34/1029972134.db2.gz OHTJYWFZDQVNRO-HXUWFJFHSA-N 2 1 380.621 3.791 20 0 GHADMP COc1ccc(Cn2cc(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cn2)cc1 ZINC001222171664 1029987653 /nfs/dbraw/zinc/98/76/53/1029987653.db2.gz CXTZCOQDJYUEAN-HSZRJFAPSA-N 2 1 382.552 3.686 20 0 GHADMP COc1ccc(Cn2cc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cn2)cc1 ZINC001222171664 1029987662 /nfs/dbraw/zinc/98/76/62/1029987662.db2.gz CXTZCOQDJYUEAN-HSZRJFAPSA-N 2 1 382.552 3.686 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccccc1Oc1ccccc1)CC[NH2+]CC2 ZINC001222221709 1030016130 /nfs/dbraw/zinc/01/61/30/1030016130.db2.gz QMSSMIRLIXFNFN-OAQYLSRUSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccccc1Oc1ccccc1)CC[NH2+]CC2 ZINC001222221709 1030016145 /nfs/dbraw/zinc/01/61/45/1030016145.db2.gz QMSSMIRLIXFNFN-OAQYLSRUSA-N 2 1 394.515 3.986 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cc(-c3ccsc3)cs1)CC[NH2+]CC2 ZINC001222225433 1030019328 /nfs/dbraw/zinc/01/93/28/1030019328.db2.gz DJRKSGMVGGBFNM-GOSISDBHSA-N 2 1 390.574 3.984 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(-c3ccsc3)cs1)CC[NH2+]CC2 ZINC001222225433 1030019348 /nfs/dbraw/zinc/01/93/48/1030019348.db2.gz DJRKSGMVGGBFNM-GOSISDBHSA-N 2 1 390.574 3.984 20 0 GHADMP c1cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc([C@H]2CCC[NH2+]2)c1 ZINC001217070023 1030143452 /nfs/dbraw/zinc/14/34/52/1030143452.db2.gz FTHBQYFVOVFWFN-OAQYLSRUSA-N 2 1 390.487 3.660 20 0 GHADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC001222548271 1030192318 /nfs/dbraw/zinc/19/23/18/1030192318.db2.gz DIJQVSAGQYXLQP-UHFFFAOYSA-N 2 1 385.199 3.611 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2CCO3)cc1 ZINC001222590552 1030215227 /nfs/dbraw/zinc/21/52/27/1030215227.db2.gz JEGYDNXEOCSHPP-QFIPXVFZSA-N 2 1 392.543 3.925 20 0 GHADMP c1[nH]c2cccnc2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590585 1030215920 /nfs/dbraw/zinc/21/59/20/1030215920.db2.gz KGHKRDQEKGLFMV-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[C@@]24CC[NH2+]C4)c1-3 ZINC001218116431 1030781519 /nfs/dbraw/zinc/78/15/19/1030781519.db2.gz JXWSBYXZKWSZEU-FPGHNAPASA-N 2 1 376.500 3.665 20 0 GHADMP C[NH+]1C(C)(C)CC(Oc2ccc(C[C@H]([NH3+])C(=O)OC(C)(C)C)cc2)CC1(C)C ZINC001218318261 1030890617 /nfs/dbraw/zinc/89/06/17/1030890617.db2.gz XBZOGJWJJQOOSS-IBGZPJMESA-N 2 1 390.568 3.928 20 0 GHADMP COC(=O)C[C@@H]([NH3+])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001218410517 1030927375 /nfs/dbraw/zinc/92/73/75/1030927375.db2.gz CUXPBHYVTDEHPP-WOJBJXKFSA-N 2 1 388.895 3.556 20 0 GHADMP O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001218742073 1031061706 /nfs/dbraw/zinc/06/17/06/1031061706.db2.gz CIVFLRSDHNWPEI-QGZVFWFLSA-N 2 1 398.938 3.805 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001224962863 1031194132 /nfs/dbraw/zinc/19/41/32/1031194132.db2.gz YTKLRTGYMBAGIM-IEZKXTBUSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001224962863 1031194142 /nfs/dbraw/zinc/19/41/42/1031194142.db2.gz YTKLRTGYMBAGIM-IEZKXTBUSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001224962863 1031194156 /nfs/dbraw/zinc/19/41/56/1031194156.db2.gz YTKLRTGYMBAGIM-IEZKXTBUSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224962863 1031194165 /nfs/dbraw/zinc/19/41/65/1031194165.db2.gz YTKLRTGYMBAGIM-IEZKXTBUSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224962863 1031194171 /nfs/dbraw/zinc/19/41/71/1031194171.db2.gz YTKLRTGYMBAGIM-IEZKXTBUSA-N 2 1 394.559 3.815 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C3CCC4(C[NH2+]C4)CC3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046360 1031227600 /nfs/dbraw/zinc/22/76/00/1031227600.db2.gz BIJMMPRMORAXBI-OAQYLSRUSA-N 2 1 389.543 3.982 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3[C@H]([NH3+])[C@H]4CC[C@@H]3C4)cccc2[C@@H](c2ccccc2)C1 ZINC001219047040 1031229202 /nfs/dbraw/zinc/22/92/02/1031229202.db2.gz OVMIPAYZDJGLAW-CUSRLENDSA-N 2 1 375.516 3.576 20 0 GHADMP c1cc(CC[NH+]2CCOCC2)cc(Nc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001204379681 1031287470 /nfs/dbraw/zinc/28/74/70/1031287470.db2.gz KSHMOOKJAQUKJV-UHFFFAOYSA-N 2 1 395.547 3.780 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)c1ccccc1 ZINC001219537539 1031480816 /nfs/dbraw/zinc/48/08/16/1031480816.db2.gz NIXNKLZZMOFPNF-HARLFGEKSA-N 2 1 393.531 3.936 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)Nc2ccnc(C[NH+](C)C)c2)c2ccccc2)CC1 ZINC001219713453 1031575511 /nfs/dbraw/zinc/57/55/11/1031575511.db2.gz SVMSDMYNEXDQDW-QFIPXVFZSA-N 2 1 395.551 3.738 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001219941375 1031707828 /nfs/dbraw/zinc/70/78/28/1031707828.db2.gz WLSHLGAIDCYGFT-QPTUXGOLSA-N 2 1 391.559 3.551 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC[NH+]1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001220633371 1032032675 /nfs/dbraw/zinc/03/26/75/1032032675.db2.gz DFVDJSNBJFKAEJ-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001220633371 1032032689 /nfs/dbraw/zinc/03/26/89/1032032689.db2.gz DFVDJSNBJFKAEJ-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001220633371 1032032698 /nfs/dbraw/zinc/03/26/98/1032032698.db2.gz DFVDJSNBJFKAEJ-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC001205274789 1033337391 /nfs/dbraw/zinc/33/73/91/1033337391.db2.gz VHEBPDBHHQMHHO-QTEQDKRBSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC001205274789 1033337425 /nfs/dbraw/zinc/33/74/25/1033337425.db2.gz VHEBPDBHHQMHHO-QTEQDKRBSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CC[C@@H]21 ZINC001205274789 1033337438 /nfs/dbraw/zinc/33/74/38/1033337438.db2.gz VHEBPDBHHQMHHO-QTEQDKRBSA-N 2 1 377.536 3.738 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(Br)c(Br)c2)CC1 ZINC001205571441 1033472896 /nfs/dbraw/zinc/47/28/96/1033472896.db2.gz UOTHTFCJDIAOHH-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(Br)c(Br)c2)CC1 ZINC001205571441 1033472901 /nfs/dbraw/zinc/47/29/01/1033472901.db2.gz UOTHTFCJDIAOHH-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)s1 ZINC001205559817 1033469676 /nfs/dbraw/zinc/46/96/76/1033469676.db2.gz UXXQZMAQWGVEMF-MRXNPFEDSA-N 2 1 390.450 3.820 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)ccc1OC(=O)c1cccs1 ZINC001205617281 1033493946 /nfs/dbraw/zinc/49/39/46/1033493946.db2.gz ITGWOHLRCBCWLF-DOTOQJQBSA-N 2 1 388.533 3.783 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CC[C@@H]1C[NH3+] ZINC001205653698 1033511465 /nfs/dbraw/zinc/51/14/65/1033511465.db2.gz UKFVJDXGJUAFLJ-GHMZBOCLSA-N 2 1 380.252 3.670 20 0 GHADMP Cc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)cc1I ZINC001205703123 1033537622 /nfs/dbraw/zinc/53/76/22/1033537622.db2.gz WOTFKPJVSGWHFA-MAUKXSAKSA-N 2 1 398.332 3.824 20 0 GHADMP CC(C)(C)[C@@]1(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001205753389 1033558499 /nfs/dbraw/zinc/55/84/99/1033558499.db2.gz VHBKTPRAPJWKKJ-ZEQRLZLVSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCO[C@@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001205753389 1033558505 /nfs/dbraw/zinc/55/85/05/1033558505.db2.gz VHBKTPRAPJWKKJ-ZEQRLZLVSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCO[C@@]3(CCCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001205753389 1033558511 /nfs/dbraw/zinc/55/85/11/1033558511.db2.gz VHBKTPRAPJWKKJ-ZEQRLZLVSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCO[C@@]3(CCCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001205753389 1033558514 /nfs/dbraw/zinc/55/85/14/1033558514.db2.gz VHBKTPRAPJWKKJ-ZEQRLZLVSA-N 2 1 386.580 3.806 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(OCc2ccccc2)c1OC ZINC001205912534 1033633088 /nfs/dbraw/zinc/63/30/88/1033633088.db2.gz AYNYAMLBROWTIN-FXAWDEMLSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)cc(OCc2ccccc2)c1OC ZINC001205912534 1033633094 /nfs/dbraw/zinc/63/30/94/1033633094.db2.gz AYNYAMLBROWTIN-FXAWDEMLSA-N 2 1 384.520 3.842 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC001206506483 1033881040 /nfs/dbraw/zinc/88/10/40/1033881040.db2.gz CCCUFAHHIFZMQP-UHFFFAOYSA-N 2 1 381.236 3.909 20 0 GHADMP CC(C)[N@H+](Cc1cc(I)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206588911 1033916439 /nfs/dbraw/zinc/91/64/39/1033916439.db2.gz DAIVFFCKDXHAJR-HNNXBMFYSA-N 2 1 390.284 3.783 20 0 GHADMP CC(C)[N@@H+](Cc1cc(I)ccc1F)[C@H]1CCC[NH2+]CC1 ZINC001206588911 1033916447 /nfs/dbraw/zinc/91/64/47/1033916447.db2.gz DAIVFFCKDXHAJR-HNNXBMFYSA-N 2 1 390.284 3.783 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc1Br ZINC001206606812 1033922258 /nfs/dbraw/zinc/92/22/58/1033922258.db2.gz SXTXUJUMMKKMDJ-HNNXBMFYSA-N 2 1 383.330 3.588 20 0 GHADMP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001206632835 1033930187 /nfs/dbraw/zinc/93/01/87/1033930187.db2.gz OTGVCHPIPNURPN-LJQANCHMSA-N 2 1 384.520 3.844 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001206632835 1033930198 /nfs/dbraw/zinc/93/01/98/1033930198.db2.gz OTGVCHPIPNURPN-LJQANCHMSA-N 2 1 384.520 3.844 20 0 GHADMP c1cc(C[NH+]2CCC3(CC(OCC4CC4)C3)CC2)ccc1C[NH+]1CCOCC1 ZINC001206709537 1033953037 /nfs/dbraw/zinc/95/30/37/1033953037.db2.gz DXPNUVLIPNSKGL-UHFFFAOYSA-N 2 1 384.564 3.690 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H](C)[NH2+][C@@H](C)C4)c23)C1 ZINC001158184752 1033955829 /nfs/dbraw/zinc/95/58/29/1033955829.db2.gz IDNHXKCJOBHBJI-OAGGEKHMSA-N 2 1 399.608 3.599 20 0 GHADMP c1cc(SC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)ccn1 ZINC001206723389 1033957954 /nfs/dbraw/zinc/95/79/54/1033957954.db2.gz ZCJSVJAKYCCBPA-UHFFFAOYSA-N 2 1 383.561 3.671 20 0 GHADMP CCN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@@H]1CCC[NH2+]C1 ZINC001158205050 1033963050 /nfs/dbraw/zinc/96/30/50/1033963050.db2.gz LRIWDIDPADOXPU-QGZVFWFLSA-N 2 1 395.576 3.998 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1F)CC2 ZINC001206784900 1033983105 /nfs/dbraw/zinc/98/31/05/1033983105.db2.gz YHEXMVXEIIKTJN-KRWDZBQOSA-N 2 1 375.513 3.538 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001206800813 1033988157 /nfs/dbraw/zinc/98/81/57/1033988157.db2.gz OBMLYMKCADWWMO-IKGGRYGDSA-N 2 1 389.531 3.683 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)c1 ZINC001230386059 1034026418 /nfs/dbraw/zinc/02/64/18/1034026418.db2.gz XKHXNXSIAOGZBZ-NRFANRHFSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC001230386059 1034026435 /nfs/dbraw/zinc/02/64/35/1034026435.db2.gz XKHXNXSIAOGZBZ-NRFANRHFSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC001230386059 1034026454 /nfs/dbraw/zinc/02/64/54/1034026454.db2.gz XKHXNXSIAOGZBZ-NRFANRHFSA-N 2 1 388.600 3.981 20 0 GHADMP CCCCOc1ccccc1CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001206846077 1034030728 /nfs/dbraw/zinc/03/07/28/1034030728.db2.gz FHJKGUVAFGFSJP-XMMPIXPASA-N 2 1 382.548 3.934 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cn1)CC2 ZINC001207039843 1034065339 /nfs/dbraw/zinc/06/53/39/1034065339.db2.gz WLDNXWJYYACLCY-SFHVURJKSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cn1)CC2 ZINC001207039843 1034065353 /nfs/dbraw/zinc/06/53/53/1034065353.db2.gz WLDNXWJYYACLCY-SFHVURJKSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@H+]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C2(CCCC2)C1 ZINC001158410802 1034066549 /nfs/dbraw/zinc/06/65/49/1034066549.db2.gz YCXNLSBLHSJQOQ-UHFFFAOYSA-N 2 1 396.913 3.721 20 0 GHADMP COCC[N@H+](Cc1ccc(N(C)c2ccccc2)nc1)CC1CC[NH+](C)CC1 ZINC001207075402 1034080985 /nfs/dbraw/zinc/08/09/85/1034080985.db2.gz DDDKPFUWZDMDEB-UHFFFAOYSA-N 2 1 382.552 3.640 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](Cc3cccc(N)c3)CC2)nc1 ZINC001158485685 1034105910 /nfs/dbraw/zinc/10/59/10/1034105910.db2.gz PEQJOKLJFUSTDW-JOCHJYFZSA-N 2 1 379.552 3.533 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207295099 1034248900 /nfs/dbraw/zinc/24/89/00/1034248900.db2.gz ITSKZDFVUYGYMX-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C[C@@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001207367672 1034307688 /nfs/dbraw/zinc/30/76/88/1034307688.db2.gz RGOIJJRGAMSLPY-BDTNDASRSA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001207367672 1034307702 /nfs/dbraw/zinc/30/77/02/1034307702.db2.gz RGOIJJRGAMSLPY-BDTNDASRSA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](C[C@@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001207367672 1034307715 /nfs/dbraw/zinc/30/77/15/1034307715.db2.gz RGOIJJRGAMSLPY-BDTNDASRSA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C[C@@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001207367672 1034307731 /nfs/dbraw/zinc/30/77/31/1034307731.db2.gz RGOIJJRGAMSLPY-BDTNDASRSA-N 2 1 399.579 3.758 20 0 GHADMP Clc1cccc(CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001207423246 1034358356 /nfs/dbraw/zinc/35/83/56/1034358356.db2.gz FSCZXCHIGFEYOO-PUHATCMVSA-N 2 1 398.982 3.954 20 0 GHADMP Clc1cccc(CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001207423246 1034358368 /nfs/dbraw/zinc/35/83/68/1034358368.db2.gz FSCZXCHIGFEYOO-PUHATCMVSA-N 2 1 398.982 3.954 20 0 GHADMP Clc1cccc(CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001207423246 1034358378 /nfs/dbraw/zinc/35/83/78/1034358378.db2.gz FSCZXCHIGFEYOO-PUHATCMVSA-N 2 1 398.982 3.954 20 0 GHADMP Clc1cccc(CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001207423246 1034358396 /nfs/dbraw/zinc/35/83/96/1034358396.db2.gz FSCZXCHIGFEYOO-PUHATCMVSA-N 2 1 398.982 3.954 20 0 GHADMP COc1cccc(CC[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001207426604 1034362594 /nfs/dbraw/zinc/36/25/94/1034362594.db2.gz GVAWKSWDVNRCQP-UHFFFAOYSA-N 2 1 386.561 3.666 20 0 GHADMP COc1cccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001207426604 1034362606 /nfs/dbraw/zinc/36/26/06/1034362606.db2.gz GVAWKSWDVNRCQP-UHFFFAOYSA-N 2 1 386.561 3.666 20 0 GHADMP COc1ccccc1CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001207451790 1034373681 /nfs/dbraw/zinc/37/36/81/1034373681.db2.gz BETKDZJTGUFMPX-ZCYQVOJMSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccccc1CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001207451790 1034373692 /nfs/dbraw/zinc/37/36/92/1034373692.db2.gz BETKDZJTGUFMPX-ZCYQVOJMSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccccc1CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001207451790 1034373708 /nfs/dbraw/zinc/37/37/08/1034373708.db2.gz BETKDZJTGUFMPX-ZCYQVOJMSA-N 2 1 398.591 3.698 20 0 GHADMP CC(C)N(C)Cc1nnc2n1CCCN(CCCc1cccc(Cl)c1)C2 ZINC001207589827 1034469755 /nfs/dbraw/zinc/46/97/55/1034469755.db2.gz UNLJQQPRIINAND-UHFFFAOYSA-N 2 1 375.948 3.610 20 0 GHADMP Fc1cccc(CCC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001207600778 1034477662 /nfs/dbraw/zinc/47/76/62/1034477662.db2.gz AWXLZVLNJIVPLW-NHTMILBNSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1cccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001207600778 1034477671 /nfs/dbraw/zinc/47/76/71/1034477671.db2.gz AWXLZVLNJIVPLW-NHTMILBNSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1cccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001207600778 1034477681 /nfs/dbraw/zinc/47/76/81/1034477681.db2.gz AWXLZVLNJIVPLW-NHTMILBNSA-N 2 1 396.554 3.830 20 0 GHADMP Fc1cccc(CCC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001207601190 1034479479 /nfs/dbraw/zinc/47/94/79/1034479479.db2.gz DNFWYCDKELWYLI-UHFFFAOYSA-N 2 1 397.538 3.768 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC001207601955 1034479780 /nfs/dbraw/zinc/47/97/80/1034479780.db2.gz NQMARNNEHHSUKJ-PUHATCMVSA-N 2 1 384.543 3.828 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC001207601955 1034479785 /nfs/dbraw/zinc/47/97/85/1034479785.db2.gz NQMARNNEHHSUKJ-PUHATCMVSA-N 2 1 384.543 3.828 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCCc3cccc(F)c3)CC[C@@H]21 ZINC001207601955 1034479792 /nfs/dbraw/zinc/47/97/92/1034479792.db2.gz NQMARNNEHHSUKJ-PUHATCMVSA-N 2 1 384.543 3.828 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620253 1034491518 /nfs/dbraw/zinc/49/15/18/1034491518.db2.gz LDPKBATYYXLLLQ-MTQWCTHYSA-N 2 1 387.593 3.658 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001207783883 1034575246 /nfs/dbraw/zinc/57/52/46/1034575246.db2.gz SVSSHUUKPJEJTE-VQQMMKBISA-N 2 1 379.589 3.686 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCCc1ccc(C)o1)CC2 ZINC001207945422 1034674844 /nfs/dbraw/zinc/67/48/44/1034674844.db2.gz XRSVBLPTSGJPEC-QFIPXVFZSA-N 2 1 397.563 3.919 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001159846657 1034761903 /nfs/dbraw/zinc/76/19/03/1034761903.db2.gz GOGYGMCWNYTZCV-QFIPXVFZSA-N 2 1 381.520 3.849 20 0 GHADMP CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CC1 ZINC001208171636 1034771836 /nfs/dbraw/zinc/77/18/36/1034771836.db2.gz VERKIRCLJMGRAM-DXVXXHEXSA-N 2 1 390.612 3.959 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)Nc2ccnc(C[NH+](C)C)c2)CCCC1)c1ccccc1 ZINC001208183618 1034778925 /nfs/dbraw/zinc/77/89/25/1034778925.db2.gz QEXVSUHBYMMQIK-GOSISDBHSA-N 2 1 395.551 3.928 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC001208184322 1034780578 /nfs/dbraw/zinc/78/05/78/1034780578.db2.gz WMYSVCMKWHJAQL-SFHVURJKSA-N 2 1 395.551 3.839 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC001208184322 1034780593 /nfs/dbraw/zinc/78/05/93/1034780593.db2.gz WMYSVCMKWHJAQL-SFHVURJKSA-N 2 1 395.551 3.839 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CCCC1 ZINC001208185034 1034781214 /nfs/dbraw/zinc/78/12/14/1034781214.db2.gz UCXOEVHIZJKDGI-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP CC/C=C\CCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001208190845 1034787199 /nfs/dbraw/zinc/78/71/99/1034787199.db2.gz PVLNDCSSRACYFZ-GEXCXJEASA-N 2 1 385.600 3.980 20 0 GHADMP Cc1sc2ccccc2c1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001231644488 1034803861 /nfs/dbraw/zinc/80/38/61/1034803861.db2.gz WFVWMICKFGEFES-RTBURBONSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1sc2ccccc2c1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001231644488 1034803872 /nfs/dbraw/zinc/80/38/72/1034803872.db2.gz WFVWMICKFGEFES-RTBURBONSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1sc2ccccc2c1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001231644488 1034803882 /nfs/dbraw/zinc/80/38/82/1034803882.db2.gz WFVWMICKFGEFES-RTBURBONSA-N 2 1 380.561 3.897 20 0 GHADMP Cc1sc2ccccc2c1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001231644488 1034803887 /nfs/dbraw/zinc/80/38/87/1034803887.db2.gz WFVWMICKFGEFES-RTBURBONSA-N 2 1 380.561 3.897 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(NCC3c4ccccc4CCc4ccccc43)n2)CC1 ZINC001160153900 1034882056 /nfs/dbraw/zinc/88/20/56/1034882056.db2.gz QBXDQFHQDUSCMP-UHFFFAOYSA-N 2 1 399.542 3.747 20 0 GHADMP CC(C)(C)Oc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001231804676 1034919789 /nfs/dbraw/zinc/91/97/89/1034919789.db2.gz GHQNLPUUHUMGGB-UHFFFAOYSA-N 2 1 382.552 3.715 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606820 1034952324 /nfs/dbraw/zinc/95/23/24/1034952324.db2.gz HEHURWZWJQJILT-FPOVZHCZSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606820 1034952327 /nfs/dbraw/zinc/95/23/27/1034952327.db2.gz HEHURWZWJQJILT-FPOVZHCZSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606820 1034952330 /nfs/dbraw/zinc/95/23/30/1034952330.db2.gz HEHURWZWJQJILT-FPOVZHCZSA-N 2 1 399.579 3.665 20 0 GHADMP C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160684641 1035035334 /nfs/dbraw/zinc/03/53/34/1035035334.db2.gz XNKVWPDLFLEFBP-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160684640 1035035843 /nfs/dbraw/zinc/03/58/43/1035035843.db2.gz XNKVWPDLFLEFBP-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232012950 1035042900 /nfs/dbraw/zinc/04/29/00/1035042900.db2.gz BCVTWQGNJVRPGB-OAQYLSRUSA-N 2 1 380.517 3.753 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232012888 1035043113 /nfs/dbraw/zinc/04/31/13/1035043113.db2.gz VWGDCROSEAXIKK-WIYYLYMNSA-N 2 1 388.487 3.734 20 0 GHADMP c1c(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013854 1035044476 /nfs/dbraw/zinc/04/44/76/1035044476.db2.gz DSIXMNYPVOGMAX-PKTZIBPZSA-N 2 1 392.503 3.546 20 0 GHADMP c1c(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)[nH]c2cc[nH+]cc12 ZINC001232013731 1035044664 /nfs/dbraw/zinc/04/46/64/1035044664.db2.gz SXYAZDUIESAJHY-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP C[N@@H+]1CC=C(Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC001208839169 1035051335 /nfs/dbraw/zinc/05/13/35/1035051335.db2.gz YAEKUIWPWCJOIT-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP C[N@H+]1CC=C(Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC001208839169 1035051343 /nfs/dbraw/zinc/05/13/43/1035051343.db2.gz YAEKUIWPWCJOIT-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP C[N@@H+]1CC=C(Nc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC001208839169 1035051352 /nfs/dbraw/zinc/05/13/52/1035051352.db2.gz YAEKUIWPWCJOIT-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CCCOc1cc(NC2=CC[N@@H+](C)CC2)ccc1C(=O)OCC[NH+](CC)CC ZINC001208910642 1035086653 /nfs/dbraw/zinc/08/66/53/1035086653.db2.gz RYFNLQLEUITQPP-UHFFFAOYSA-N 2 1 389.540 3.605 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC001160908660 1035090760 /nfs/dbraw/zinc/09/07/60/1035090760.db2.gz ZOAWLWPTHQPEII-SFHVURJKSA-N 2 1 381.520 3.721 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208932076 1035096431 /nfs/dbraw/zinc/09/64/31/1035096431.db2.gz NXNBZXRXFPALBR-MYGLTJDJSA-N 2 1 399.579 3.601 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208932076 1035096438 /nfs/dbraw/zinc/09/64/38/1035096438.db2.gz NXNBZXRXFPALBR-MYGLTJDJSA-N 2 1 399.579 3.601 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208932076 1035096443 /nfs/dbraw/zinc/09/64/43/1035096443.db2.gz NXNBZXRXFPALBR-MYGLTJDJSA-N 2 1 399.579 3.601 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933206 1035097022 /nfs/dbraw/zinc/09/70/22/1035097022.db2.gz UUGBFUSAPTWDEN-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933206 1035097027 /nfs/dbraw/zinc/09/70/27/1035097027.db2.gz UUGBFUSAPTWDEN-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC001208933206 1035097032 /nfs/dbraw/zinc/09/70/32/1035097032.db2.gz UUGBFUSAPTWDEN-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CN(C[C@@H]4CCC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935758 1035102387 /nfs/dbraw/zinc/10/23/87/1035102387.db2.gz LJWBAMCPFDVKQK-CYXNTTPDSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CN(C[C@@H]4CCC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935758 1035102391 /nfs/dbraw/zinc/10/23/91/1035102391.db2.gz LJWBAMCPFDVKQK-CYXNTTPDSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CN(C[C@@H]4CCC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935758 1035102397 /nfs/dbraw/zinc/10/23/97/1035102397.db2.gz LJWBAMCPFDVKQK-CYXNTTPDSA-N 2 1 389.587 3.962 20 0 GHADMP CC[C@@H]1[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@]12CCC(=O)N2C ZINC001208937691 1035105457 /nfs/dbraw/zinc/10/54/57/1035105457.db2.gz XZNZTQJSTGYFGR-FIXSFTCYSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@@H]1[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@]12CCC(=O)N2C ZINC001208937691 1035105464 /nfs/dbraw/zinc/10/54/64/1035105464.db2.gz XZNZTQJSTGYFGR-FIXSFTCYSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@@H]1[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@]12CCC(=O)N2C ZINC001208937691 1035105469 /nfs/dbraw/zinc/10/54/69/1035105469.db2.gz XZNZTQJSTGYFGR-FIXSFTCYSA-N 2 1 383.580 3.764 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC4(C3)CC[NH+](Cc3cccnc3)C4)C2)cc1 ZINC001208938130 1035106607 /nfs/dbraw/zinc/10/66/07/1035106607.db2.gz UYRKMHPWKJPOAE-XMMPIXPASA-N 2 1 390.575 3.502 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC4(C3)CC[N@H+](Cc3cccnc3)C4)C2)cc1 ZINC001208938130 1035106613 /nfs/dbraw/zinc/10/66/13/1035106613.db2.gz UYRKMHPWKJPOAE-XMMPIXPASA-N 2 1 390.575 3.502 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CC4(C3)CC[N@@H+](Cc3cccnc3)C4)C2)cc1 ZINC001208938130 1035106616 /nfs/dbraw/zinc/10/66/16/1035106616.db2.gz UYRKMHPWKJPOAE-XMMPIXPASA-N 2 1 390.575 3.502 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208940338 1035108071 /nfs/dbraw/zinc/10/80/71/1035108071.db2.gz BNXXSSIEFIHFDZ-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208940402 1035109547 /nfs/dbraw/zinc/10/95/47/1035109547.db2.gz CQTURUKNWVKZRP-LEWJYISDSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940402 1035109554 /nfs/dbraw/zinc/10/95/54/1035109554.db2.gz CQTURUKNWVKZRP-LEWJYISDSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940402 1035109563 /nfs/dbraw/zinc/10/95/63/1035109563.db2.gz CQTURUKNWVKZRP-LEWJYISDSA-N 2 1 399.579 3.697 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944897 1035115914 /nfs/dbraw/zinc/11/59/14/1035115914.db2.gz PKQNBRZEYUVZCN-NZQKXSOJSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944897 1035115916 /nfs/dbraw/zinc/11/59/16/1035115916.db2.gz PKQNBRZEYUVZCN-NZQKXSOJSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944897 1035115918 /nfs/dbraw/zinc/11/59/18/1035115918.db2.gz PKQNBRZEYUVZCN-NZQKXSOJSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944897 1035115920 /nfs/dbraw/zinc/11/59/20/1035115920.db2.gz PKQNBRZEYUVZCN-NZQKXSOJSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947877 1035118506 /nfs/dbraw/zinc/11/85/06/1035118506.db2.gz MZNRXCCLHAQCBJ-QTJGBDASSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947877 1035118508 /nfs/dbraw/zinc/11/85/08/1035118508.db2.gz MZNRXCCLHAQCBJ-QTJGBDASSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947877 1035118510 /nfs/dbraw/zinc/11/85/10/1035118510.db2.gz MZNRXCCLHAQCBJ-QTJGBDASSA-N 2 1 392.543 3.787 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001232145178 1035122579 /nfs/dbraw/zinc/12/25/79/1035122579.db2.gz XATGSZVYATTYGZ-QFBILLFUSA-N 2 1 393.547 3.870 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1)C(=O)OC(C)(C)C ZINC001232150170 1035128716 /nfs/dbraw/zinc/12/87/16/1035128716.db2.gz UGCAWOBGKDQKLB-INIZCTEOSA-N 2 1 379.520 3.576 20 0 GHADMP CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062902 1035129688 /nfs/dbraw/zinc/12/96/88/1035129688.db2.gz LAJBTABSSGOXMU-HNJRGHQBSA-N 2 1 393.522 3.507 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001208960802 1035131282 /nfs/dbraw/zinc/13/12/82/1035131282.db2.gz ZHDRUZNJAHSORO-NPDDRXJXSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001208960802 1035131288 /nfs/dbraw/zinc/13/12/88/1035131288.db2.gz ZHDRUZNJAHSORO-NPDDRXJXSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001208960802 1035131293 /nfs/dbraw/zinc/13/12/93/1035131293.db2.gz ZHDRUZNJAHSORO-NPDDRXJXSA-N 2 1 389.609 3.539 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208962175 1035133735 /nfs/dbraw/zinc/13/37/35/1035133735.db2.gz IFFSGDNMFUGUNH-LNRXMEIDSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208962175 1035133738 /nfs/dbraw/zinc/13/37/38/1035133738.db2.gz IFFSGDNMFUGUNH-LNRXMEIDSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208962175 1035133744 /nfs/dbraw/zinc/13/37/44/1035133744.db2.gz IFFSGDNMFUGUNH-LNRXMEIDSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCc4cccs4)CC3)C2)c1 ZINC001209222077 1035210034 /nfs/dbraw/zinc/21/00/34/1035210034.db2.gz HKIQPBGOVPDQTR-UHFFFAOYSA-N 2 1 386.561 3.666 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCc4cccs4)CC3)C2)c1 ZINC001209222077 1035210039 /nfs/dbraw/zinc/21/00/39/1035210039.db2.gz HKIQPBGOVPDQTR-UHFFFAOYSA-N 2 1 386.561 3.666 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CCOc4ccccc4)CC3)C2)cc1 ZINC001209298230 1035234853 /nfs/dbraw/zinc/23/48/53/1035234853.db2.gz QYFHDQVOIWHKCL-UHFFFAOYSA-N 2 1 380.532 3.741 20 0 GHADMP C[N@@H+]1CC[C@]2(CC[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311299 1035238274 /nfs/dbraw/zinc/23/82/74/1035238274.db2.gz XWQLPQMYMBKICO-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311299 1035238279 /nfs/dbraw/zinc/23/82/79/1035238279.db2.gz XWQLPQMYMBKICO-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311299 1035238283 /nfs/dbraw/zinc/23/82/83/1035238283.db2.gz XWQLPQMYMBKICO-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C2)C1 ZINC001209311299 1035238287 /nfs/dbraw/zinc/23/82/87/1035238287.db2.gz XWQLPQMYMBKICO-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001461956286 1069913652 /nfs/dbraw/zinc/91/36/52/1069913652.db2.gz LCUJSTWQAULRTC-JTAQYXEDSA-N 2 1 391.600 3.831 20 0 GHADMP [NH3+]C1(CC2CCC2)CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001161571708 1035260460 /nfs/dbraw/zinc/26/04/60/1035260460.db2.gz QCLOQJQRKQUZON-UHFFFAOYSA-N 2 1 391.563 3.523 20 0 GHADMP [NH3+]C1(CC2CCC2)CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001161571708 1035260465 /nfs/dbraw/zinc/26/04/65/1035260465.db2.gz QCLOQJQRKQUZON-UHFFFAOYSA-N 2 1 391.563 3.523 20 0 GHADMP COc1ccc(C(=O)CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)cc1 ZINC001161802561 1035305064 /nfs/dbraw/zinc/30/50/64/1035305064.db2.gz CRMZUJWPXDNVIA-GOSISDBHSA-N 2 1 378.476 3.654 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC001161870073 1035318634 /nfs/dbraw/zinc/31/86/34/1035318634.db2.gz FPQXDGKUYSSDMO-UHFFFAOYSA-N 2 1 399.589 3.744 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)CC1 ZINC001161873137 1035319249 /nfs/dbraw/zinc/31/92/49/1035319249.db2.gz XXOWVIJYNWFATA-UHFFFAOYSA-N 2 1 389.503 3.771 20 0 GHADMP C[NH+]1CCN(C(=O)c2cccc(-c3ccc(C[NH+]4CCCCC4)cc3)c2)CC1 ZINC001241389422 1035574160 /nfs/dbraw/zinc/57/41/60/1035574160.db2.gz SVZVNHQIZNIEKF-UHFFFAOYSA-N 2 1 377.532 3.727 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)cc2Cl)no1 ZINC001248195421 1035624734 /nfs/dbraw/zinc/62/47/34/1035624734.db2.gz YHIAZRMZFHUDTP-ZDUSSCGKSA-N 2 1 387.709 3.884 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)cc2Br)no1 ZINC001248194722 1035624845 /nfs/dbraw/zinc/62/48/45/1035624845.db2.gz MTYVCYXUTJLZLK-ZDUSSCGKSA-N 2 1 389.244 3.509 20 0 GHADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])CCC4CCCCC4)n3)cc2)CC1 ZINC001248243925 1035689304 /nfs/dbraw/zinc/68/93/04/1035689304.db2.gz UIJXJXKEEVYABU-FQEVSTJZSA-N 2 1 383.540 3.849 20 0 GHADMP CC[NH+](CC)Cc1cc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)ccc1OC ZINC001241880450 1035741105 /nfs/dbraw/zinc/74/11/05/1035741105.db2.gz YRAGQVMPHCWGPB-UHFFFAOYSA-N 2 1 395.547 3.592 20 0 GHADMP C[C@H]([NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462014683 1069946602 /nfs/dbraw/zinc/94/66/02/1069946602.db2.gz RCQSHBYTHFCPKN-YUXJYOOLSA-N 2 1 399.579 3.932 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248397635 1035809531 /nfs/dbraw/zinc/80/95/31/1035809531.db2.gz CPQGUENEGACMHU-YXOJNZSOSA-N 2 1 397.429 3.719 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccccc2-c2cc(C(=O)N3CCCC3)ccc2F)CC1 ZINC001242136295 1035829154 /nfs/dbraw/zinc/82/91/54/1035829154.db2.gz AWJBCPNRSXQPJQ-UHFFFAOYSA-N 2 1 381.495 3.652 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001248772689 1036126641 /nfs/dbraw/zinc/12/66/41/1036126641.db2.gz HWVUZYNEDQNDGG-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001248772689 1036126669 /nfs/dbraw/zinc/12/66/69/1036126669.db2.gz HWVUZYNEDQNDGG-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001248772689 1036126682 /nfs/dbraw/zinc/12/66/82/1036126682.db2.gz HWVUZYNEDQNDGG-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP CC(C)[N@@H+](C[C@@H](O)COCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC001246019617 1037138216 /nfs/dbraw/zinc/13/82/16/1037138216.db2.gz GMKLFOKNPKVPTO-HZPDHXFCSA-N 2 1 389.367 3.723 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC001246020723 1037139249 /nfs/dbraw/zinc/13/92/49/1037139249.db2.gz KEQYDXKJOHDZFM-UZUQRXQVSA-N 2 1 381.520 3.512 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246022271 1037141841 /nfs/dbraw/zinc/14/18/41/1037141841.db2.gz JFVLLQDXHBQLIL-KOSHJBKYSA-N 2 1 393.531 3.669 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246029885 1037146607 /nfs/dbraw/zinc/14/66/07/1037146607.db2.gz MVFZHQYOVDHIHA-JOCHJYFZSA-N 2 1 394.987 3.504 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246050276 1037163037 /nfs/dbraw/zinc/16/30/37/1037163037.db2.gz DCYSSELYAHBAQW-REWPJTCUSA-N 2 1 376.585 3.835 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](CC1(O)CC[NH2+]CC1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001246062231 1037176420 /nfs/dbraw/zinc/17/64/20/1037176420.db2.gz ZSSDBFUZDLIDEH-QDSKXPNFSA-N 2 1 394.559 3.912 20 0 GHADMP [NH3+]C1CCC([N@H+](Cc2ccccc2)C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001246066818 1037181067 /nfs/dbraw/zinc/18/10/67/1037181067.db2.gz SBQWYQBKISJBGV-VHYCJAOWSA-N 2 1 382.548 3.726 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)C[C@H](O)CCOCc2ccccc2)CC1 ZINC001246068438 1037182513 /nfs/dbraw/zinc/18/25/13/1037182513.db2.gz SBQWYQBKISJBGV-WXFUMESZSA-N 2 1 382.548 3.726 20 0 GHADMP Cc1cc(F)cc(C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001246071344 1037185946 /nfs/dbraw/zinc/18/59/46/1037185946.db2.gz YVJLENRJCOMLCI-OAQYLSRUSA-N 2 1 378.438 3.700 20 0 GHADMP Cc1cc(F)cc(C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001246071344 1037185957 /nfs/dbraw/zinc/18/59/57/1037185957.db2.gz YVJLENRJCOMLCI-OAQYLSRUSA-N 2 1 378.438 3.700 20 0 GHADMP O[C@H](C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246070591 1037186217 /nfs/dbraw/zinc/18/62/17/1037186217.db2.gz TYFVRVQYOBBLGY-HXUWFJFHSA-N 2 1 380.866 3.906 20 0 GHADMP O[C@H](C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246070591 1037186224 /nfs/dbraw/zinc/18/62/24/1037186224.db2.gz TYFVRVQYOBBLGY-HXUWFJFHSA-N 2 1 380.866 3.906 20 0 GHADMP C[C@H]1C[NH2+]C[C@H]1N[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246113507 1037197523 /nfs/dbraw/zinc/19/75/23/1037197523.db2.gz BRFVQBZASMPEGD-YZWPFYHMSA-N 2 1 389.587 3.949 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC001246133327 1037210218 /nfs/dbraw/zinc/21/02/18/1037210218.db2.gz QPVIRLKQMAKVJT-KJXAQDMKSA-N 2 1 391.559 3.885 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC001246133327 1037210234 /nfs/dbraw/zinc/21/02/34/1037210234.db2.gz QPVIRLKQMAKVJT-KJXAQDMKSA-N 2 1 391.559 3.885 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@@]34C[NH2+]CCO4)CC2)cc1 ZINC001246159866 1037215803 /nfs/dbraw/zinc/21/58/03/1037215803.db2.gz LHLUAECFHCKGFK-MGRZCVLQSA-N 2 1 386.536 3.529 20 0 GHADMP O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246207495 1037238410 /nfs/dbraw/zinc/23/84/10/1037238410.db2.gz AOWBSRZRMNGCAM-SONWIMMPSA-N 2 1 392.543 3.853 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246212861 1037240660 /nfs/dbraw/zinc/24/06/60/1037240660.db2.gz REMRRBLQIQRGRR-JTHBVZDNSA-N 3 1 399.529 3.977 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246223360 1037244738 /nfs/dbraw/zinc/24/47/38/1037244738.db2.gz VNEGVNRXRSZSDA-CZUORRHYSA-N 2 1 375.301 3.995 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256113 1037256676 /nfs/dbraw/zinc/25/66/76/1037256676.db2.gz MTJFSGVGHLYMBL-AGHHOFFYSA-N 2 1 382.504 3.600 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CCN1 ZINC001246324780 1037295861 /nfs/dbraw/zinc/29/58/61/1037295861.db2.gz HFPBAJGOYSATBI-VDGAXYAQSA-N 2 1 387.886 3.734 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246342234 1037303500 /nfs/dbraw/zinc/30/35/00/1037303500.db2.gz QXUPKQIPPFTVNP-UGFHNGPFSA-N 2 1 379.264 3.900 20 0 GHADMP CC[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC[NH2+]1 ZINC001246353874 1037311666 /nfs/dbraw/zinc/31/16/66/1037311666.db2.gz VWPSSTGGTYMFHB-QRFRQXIXSA-N 2 1 399.535 3.575 20 0 GHADMP OCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(Br)c1 ZINC001246358931 1037318626 /nfs/dbraw/zinc/31/86/26/1037318626.db2.gz RLXCHCSGMBQACD-VAMGGRTRSA-N 2 1 389.337 3.956 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246372098 1037328697 /nfs/dbraw/zinc/32/86/97/1037328697.db2.gz CFCSOXCPZDFPMX-QPPBQGQZSA-N 3 1 377.576 3.951 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246372098 1037328714 /nfs/dbraw/zinc/32/87/14/1037328714.db2.gz CFCSOXCPZDFPMX-QPPBQGQZSA-N 3 1 377.576 3.951 20 0 GHADMP COc1ccccc1CC1(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246424648 1037382567 /nfs/dbraw/zinc/38/25/67/1037382567.db2.gz HEILAZUWJGJWRT-NFBKMPQASA-N 2 1 393.575 3.613 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246428534 1037387684 /nfs/dbraw/zinc/38/76/84/1037387684.db2.gz AGMNIGRCPDPSBV-YJBOKZPZSA-N 2 1 398.469 3.996 20 0 GHADMP CC[C@H]1CC([NH2+]Cc2ccc3nnc(-c4cccc(F)c4)n3c2)C[C@H](CC)[NH2+]1 ZINC001246439668 1037402674 /nfs/dbraw/zinc/40/26/74/1037402674.db2.gz POKDJZBNEUXQRK-OALUTQOASA-N 2 1 381.499 3.934 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CCc2cc(F)ccc2C1)C(=O)OCc1ccccc1 ZINC001246484422 1037430337 /nfs/dbraw/zinc/43/03/37/1037430337.db2.gz GSQLKOLZYHBTKV-FGZHOGPDSA-N 2 1 384.495 3.514 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCc1ccccc1 ZINC001246484783 1037430710 /nfs/dbraw/zinc/43/07/10/1037430710.db2.gz JCFSFNYASWOWSV-FGTMMUONSA-N 2 1 386.458 3.938 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)C(=O)OCc1ccccc1 ZINC001246485375 1037431960 /nfs/dbraw/zinc/43/19/60/1037431960.db2.gz KJFLIEHELFAVIB-YTFSRNRJSA-N 2 1 396.531 3.737 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC1 ZINC001246494177 1037438560 /nfs/dbraw/zinc/43/85/60/1037438560.db2.gz XIIWXGZOVMLABM-FQEVSTJZSA-N 2 1 391.625 3.797 20 0 GHADMP Oc1ccc(Br)c(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246507867 1037447572 /nfs/dbraw/zinc/44/75/72/1037447572.db2.gz ZYCPLABVRRAQEZ-APWZRJJASA-N 2 1 375.310 3.780 20 0 GHADMP Oc1ccc(Br)c(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246507871 1037448099 /nfs/dbraw/zinc/44/80/99/1037448099.db2.gz ZYCPLABVRRAQEZ-LPHOPBHVSA-N 2 1 375.310 3.780 20 0 GHADMP COCC[N@@H+](C)[C@H](CN[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC001246515182 1037452689 /nfs/dbraw/zinc/45/26/89/1037452689.db2.gz KYKGLDUPYQWSAU-VAMGGRTRSA-N 2 1 381.992 3.716 20 0 GHADMP C[NH2+]C1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246529257 1037464172 /nfs/dbraw/zinc/46/41/72/1037464172.db2.gz RSSWTTPPPZNCAB-ISJGIBHGSA-N 2 1 375.560 3.655 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCN[C@H](c3ccccc3)C1)CC2 ZINC001246585813 1037489565 /nfs/dbraw/zinc/48/95/65/1037489565.db2.gz JQSJPVDXNFGTOW-PKTZIBPZSA-N 2 1 378.516 3.644 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC001246585813 1037489603 /nfs/dbraw/zinc/48/96/03/1037489603.db2.gz JQSJPVDXNFGTOW-PKTZIBPZSA-N 2 1 378.516 3.644 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](C1CCN(c3ccccc3)CC1)CC2 ZINC001246634720 1037521026 /nfs/dbraw/zinc/52/10/26/1037521026.db2.gz HFWYRYNPYHDOAL-UHFFFAOYSA-N 2 1 391.559 3.801 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@@H+]([C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001246638596 1037524470 /nfs/dbraw/zinc/52/44/70/1037524470.db2.gz MROGZTHRZIJBJZ-IAGOWNOFSA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@H+]([C@@H]1CCc3ccc(Br)cc3C1)C2 ZINC001246638596 1037524484 /nfs/dbraw/zinc/52/44/84/1037524484.db2.gz MROGZTHRZIJBJZ-IAGOWNOFSA-N 2 1 385.296 3.627 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246683350 1037546541 /nfs/dbraw/zinc/54/65/41/1037546541.db2.gz RZQVBNMWWUMXFW-RZPHLTDDSA-N 2 1 392.543 3.873 20 0 GHADMP c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2C2CCC3(CC[NH2+]CC3)CC2)c1 ZINC001246701381 1037555497 /nfs/dbraw/zinc/55/54/97/1037555497.db2.gz OFCDDONCXLGYKF-GOTSBHOMSA-N 2 1 383.580 3.806 20 0 GHADMP c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[N@@H+]2[C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246701085 1037555841 /nfs/dbraw/zinc/55/58/41/1037555841.db2.gz NCJPRQNATUGJKB-VJBWXMMDSA-N 2 1 383.580 3.949 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+]([C@H]2CCC[C@@]4(CC[NH2+]C4)C2)CC3)cc1 ZINC001246716753 1037570287 /nfs/dbraw/zinc/57/02/87/1037570287.db2.gz HBRGQUVWHNLJSE-WMZHIEFXSA-N 2 1 380.511 3.606 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC[NH2+]1 ZINC001246743326 1037585903 /nfs/dbraw/zinc/58/59/03/1037585903.db2.gz GBFSCJBSEVVBIR-LMVRJCEZSA-N 2 1 391.531 3.534 20 0 GHADMP c1ccc(-c2ncnc3c2CC[N@@H+](C2CCC4(CC[NH2+]CC4)CC2)CC3)cc1 ZINC001246747771 1037587431 /nfs/dbraw/zinc/58/74/31/1037587431.db2.gz RPURHAAABLKBIC-UHFFFAOYSA-N 2 1 376.548 3.857 20 0 GHADMP O=C1C[C@@]2(CC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1cccc(F)c1 ZINC001246759178 1037601333 /nfs/dbraw/zinc/60/13/33/1037601333.db2.gz QLWZOHGWXVPKOO-RBBKRZOGSA-N 2 1 385.527 3.709 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CC[NH2+][C@@H](c5ccccc5)C4)CC[N@H+]3C2)cc1 ZINC001246763482 1037606953 /nfs/dbraw/zinc/60/69/53/1037606953.db2.gz CPCPGZDCTKWGKG-WREZULKGSA-N 2 1 391.559 3.626 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246764406 1037607281 /nfs/dbraw/zinc/60/72/81/1037607281.db2.gz KEIDIMUNZDFFBS-XCGNWRKASA-N 2 1 391.506 3.703 20 0 GHADMP Clc1cccc2c1C[C@H]([N@@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246769384 1037609478 /nfs/dbraw/zinc/60/94/78/1037609478.db2.gz HTIJNPGUPNGJQJ-GOSISDBHSA-N 2 1 384.955 3.942 20 0 GHADMP Clc1cccc2c1C[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246769384 1037609546 /nfs/dbraw/zinc/60/95/46/1037609546.db2.gz HTIJNPGUPNGJQJ-GOSISDBHSA-N 2 1 384.955 3.942 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CC[NH2+]C5(CCCCC5)C4)CC[N@H+]3C2)cc1 ZINC001246765490 1037609574 /nfs/dbraw/zinc/60/95/74/1037609574.db2.gz JWIUGFNLTSXDHI-MQSCRBSSSA-N 2 1 383.580 3.587 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246775325 1037614763 /nfs/dbraw/zinc/61/47/63/1037614763.db2.gz JGNUUHVSDDDVAD-GOSISDBHSA-N 3 1 384.955 3.933 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246783308 1037623588 /nfs/dbraw/zinc/62/35/88/1037623588.db2.gz SYTKREQRQKCVHX-AWRGLXIESA-N 2 1 380.532 3.902 20 0 GHADMP Cc1cccnc1N1CCCN([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786334 1037625802 /nfs/dbraw/zinc/62/58/02/1037625802.db2.gz NSDABNFZGOCAHW-UNMCSNQZSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786334 1037625813 /nfs/dbraw/zinc/62/58/13/1037625813.db2.gz NSDABNFZGOCAHW-UNMCSNQZSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786334 1037625822 /nfs/dbraw/zinc/62/58/22/1037625822.db2.gz NSDABNFZGOCAHW-UNMCSNQZSA-N 2 1 382.527 3.843 20 0 GHADMP CCOC(=O)CCC1CC[NH+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246789957 1037628709 /nfs/dbraw/zinc/62/87/09/1037628709.db2.gz KJSUTGQPFVFCHC-TZIWHRDSSA-N 2 1 376.516 3.983 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)C[C@@H](CC)[NH2+]1 ZINC001246814248 1037648431 /nfs/dbraw/zinc/64/84/31/1037648431.db2.gz XJRWIBQCFLSJQU-IECBHUPTSA-N 2 1 381.564 3.696 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246820583 1037652742 /nfs/dbraw/zinc/65/27/42/1037652742.db2.gz WMUBBHODXFJJLL-VQIMIIECSA-N 2 1 382.474 3.535 20 0 GHADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246841120 1037668990 /nfs/dbraw/zinc/66/89/90/1037668990.db2.gz TTWOLXVSRUGDMA-PMOQBDJRSA-N 2 1 382.548 3.895 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888127 1037703927 /nfs/dbraw/zinc/70/39/27/1037703927.db2.gz NPVKMMHKZLDOBR-MOPGFXCFSA-N 2 1 377.960 3.655 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888127 1037703938 /nfs/dbraw/zinc/70/39/38/1037703938.db2.gz NPVKMMHKZLDOBR-MOPGFXCFSA-N 2 1 377.960 3.655 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246906918 1037717439 /nfs/dbraw/zinc/71/74/39/1037717439.db2.gz CFVXBWCKFUFZHO-QGZVFWFLSA-N 2 1 378.358 3.554 20 0 GHADMP COC1CCC([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CC1 ZINC001246940277 1037744683 /nfs/dbraw/zinc/74/46/83/1037744683.db2.gz VJSMWXIIWVYYDW-UHFFFAOYSA-N 2 1 381.358 3.961 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246942203 1037747674 /nfs/dbraw/zinc/74/76/74/1037747674.db2.gz XNXWLMNMJNTEPY-UGFHNGPFSA-N 2 1 379.264 3.982 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246942203 1037747694 /nfs/dbraw/zinc/74/76/94/1037747694.db2.gz XNXWLMNMJNTEPY-UGFHNGPFSA-N 2 1 379.264 3.982 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C2CC[NH2+]CC2)c1 ZINC001246956849 1037768693 /nfs/dbraw/zinc/76/86/93/1037768693.db2.gz HMQAUKLBDHIFQM-FQEVSTJZSA-N 2 1 398.934 3.848 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246956296 1037770024 /nfs/dbraw/zinc/77/00/24/1037770024.db2.gz RLFXHFYHXHMLLA-KXBFYZLASA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246956296 1037770051 /nfs/dbraw/zinc/77/00/51/1037770051.db2.gz RLFXHFYHXHMLLA-KXBFYZLASA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)C1 ZINC001246960943 1037779582 /nfs/dbraw/zinc/77/95/82/1037779582.db2.gz FFDJSPCYXDIQHN-LAUBAEHRSA-N 2 1 376.516 3.810 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N(Cc2ccncc2)[C@@H]2CC[NH2+]C2)C3)cc1 ZINC001246967948 1037792546 /nfs/dbraw/zinc/79/25/46/1037792546.db2.gz VLBZSCOQSPHLHR-ZFFYZDHPSA-N 2 1 390.575 3.831 20 0 GHADMP FC(F)(F)c1cc(O[C@H]2CCC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)ncn1 ZINC001246970633 1037795608 /nfs/dbraw/zinc/79/56/08/1037795608.db2.gz POLIPOYNCWKHJT-WUJZJPHMSA-N 2 1 398.473 3.651 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+]([C@H]2CCC4(C[NH2+]C4)C2)C3)cc1 ZINC001246998234 1037820547 /nfs/dbraw/zinc/82/05/47/1037820547.db2.gz YCFIXACKWLGXPE-QHCPKHFHSA-N 2 1 387.571 3.926 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC001247013887 1037837804 /nfs/dbraw/zinc/83/78/04/1037837804.db2.gz BPFXBIUSNRZIQX-YYAJDYIMSA-N 2 1 380.374 3.657 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CCc3c(CN(C)Cc4ccco4)cncc3C2)cn1 ZINC001232354310 1038133974 /nfs/dbraw/zinc/13/39/74/1038133974.db2.gz HNMOIUDFRWHZID-UHFFFAOYSA-N 2 1 392.503 3.577 20 0 GHADMP COc1cc(C)c(C[N@H+]2CCc3c(CN(C)Cc4ccco4)cncc3C2)cn1 ZINC001232354310 1038133985 /nfs/dbraw/zinc/13/39/85/1038133985.db2.gz HNMOIUDFRWHZID-UHFFFAOYSA-N 2 1 392.503 3.577 20 0 GHADMP CC(C)(C)Oc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247905192 1038476665 /nfs/dbraw/zinc/47/66/65/1038476665.db2.gz LSMGDZHUIXLEIE-QGZVFWFLSA-N 2 1 384.524 3.845 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825538 1038578843 /nfs/dbraw/zinc/57/88/43/1038578843.db2.gz UETJPHZTEYCJSH-UHFFFAOYSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(O)cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001232881036 1038656949 /nfs/dbraw/zinc/65/69/49/1038656949.db2.gz VHCHDTAPZJRBCJ-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(O)cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001232881036 1038656955 /nfs/dbraw/zinc/65/69/55/1038656955.db2.gz VHCHDTAPZJRBCJ-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(O)cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001232881036 1038656960 /nfs/dbraw/zinc/65/69/60/1038656960.db2.gz VHCHDTAPZJRBCJ-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(O)cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001232881036 1038656963 /nfs/dbraw/zinc/65/69/63/1038656963.db2.gz VHCHDTAPZJRBCJ-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3ncoc3c1)CC2 ZINC001232941228 1038720321 /nfs/dbraw/zinc/72/03/21/1038720321.db2.gz VEBVQSVUOVQJEV-GOSISDBHSA-N 2 1 381.476 3.676 20 0 GHADMP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccc(C5CC5)cc4)CC[C@@H]3C2)ccn1 ZINC001232985000 1038750861 /nfs/dbraw/zinc/75/08/61/1038750861.db2.gz ZELWMPULZKVYCR-DNQXCXABSA-N 2 1 377.532 3.682 20 0 GHADMP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C5CC5)cc4)CC[C@@H]3C2)ccn1 ZINC001232985000 1038750866 /nfs/dbraw/zinc/75/08/66/1038750866.db2.gz ZELWMPULZKVYCR-DNQXCXABSA-N 2 1 377.532 3.682 20 0 GHADMP c1cc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccc(C5CC5)cc4)CC[C@@H]3C2)ccn1 ZINC001232985000 1038750870 /nfs/dbraw/zinc/75/08/70/1038750870.db2.gz ZELWMPULZKVYCR-DNQXCXABSA-N 2 1 377.532 3.682 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C[C@@H](O)c1ccccc1)CC2 ZINC001251985537 1038792935 /nfs/dbraw/zinc/79/29/35/1038792935.db2.gz JJIKBUGSILHSJL-TZIWHRDSSA-N 2 1 386.561 3.537 20 0 GHADMP Cc1nnc([C@H]2CC[N@@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317862 1070165857 /nfs/dbraw/zinc/16/58/57/1070165857.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1nnc([C@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317862 1070165860 /nfs/dbraw/zinc/16/58/60/1070165860.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1nnc([C@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317862 1070165866 /nfs/dbraw/zinc/16/58/66/1070165866.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@H]2CC[N@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001462317862 1070165872 /nfs/dbraw/zinc/16/58/72/1070165872.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@H]2CC[N@@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001462317862 1070165875 /nfs/dbraw/zinc/16/58/75/1070165875.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001462317862 1070165879 /nfs/dbraw/zinc/16/58/79/1070165879.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001462317862 1070165885 /nfs/dbraw/zinc/16/58/85/1070165885.db2.gz YKQYOWNREAAWOH-REWPJTCUSA-N 2 1 381.568 3.841 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001252409808 1038987917 /nfs/dbraw/zinc/98/79/17/1038987917.db2.gz NUYKQFHALAMTQG-RBUKOAKNSA-N 2 1 378.605 3.545 20 0 GHADMP O=c1ccc2c(C[NH+]3CCC4(CC[N@@H+](Cc5ccoc5)C4)CC3)ccc(O)c2[nH]1 ZINC001233293476 1039079422 /nfs/dbraw/zinc/07/94/22/1039079422.db2.gz XMJISTSYYJLGOQ-UHFFFAOYSA-N 2 1 393.487 3.727 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C)Cc1ccccc1 ZINC001252718758 1039096710 /nfs/dbraw/zinc/09/67/10/1039096710.db2.gz TYJXGNRJYUBSQE-UNMCSNQZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC001252718758 1039096728 /nfs/dbraw/zinc/09/67/28/1039096728.db2.gz TYJXGNRJYUBSQE-UNMCSNQZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC001252718758 1039096749 /nfs/dbraw/zinc/09/67/49/1039096749.db2.gz TYJXGNRJYUBSQE-UNMCSNQZSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001462334421 1070180266 /nfs/dbraw/zinc/18/02/66/1070180266.db2.gz MHDJDQUMZRZMBZ-SFHVURJKSA-N 2 1 385.552 3.696 20 0 GHADMP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001462334421 1070180270 /nfs/dbraw/zinc/18/02/70/1070180270.db2.gz MHDJDQUMZRZMBZ-SFHVURJKSA-N 2 1 385.552 3.696 20 0 GHADMP C[C@H]1C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001252930542 1039265675 /nfs/dbraw/zinc/26/56/75/1039265675.db2.gz XQSANFIEOGBTFP-BUUDZMLXSA-N 2 1 394.559 3.629 20 0 GHADMP C[C@H]1C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001252930542 1039265683 /nfs/dbraw/zinc/26/56/83/1039265683.db2.gz XQSANFIEOGBTFP-BUUDZMLXSA-N 2 1 394.559 3.629 20 0 GHADMP C[C@H]1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001252930542 1039265697 /nfs/dbraw/zinc/26/56/97/1039265697.db2.gz XQSANFIEOGBTFP-BUUDZMLXSA-N 2 1 394.559 3.629 20 0 GHADMP C[C@H]1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001252930542 1039265708 /nfs/dbraw/zinc/26/57/08/1039265708.db2.gz XQSANFIEOGBTFP-BUUDZMLXSA-N 2 1 394.559 3.629 20 0 GHADMP CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001252931803 1039269150 /nfs/dbraw/zinc/26/91/50/1039269150.db2.gz MXYJRMHTRWRGIS-UGKGYDQZSA-N 2 1 388.600 3.929 20 0 GHADMP CC(C)c1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001252931803 1039269161 /nfs/dbraw/zinc/26/91/61/1039269161.db2.gz MXYJRMHTRWRGIS-UGKGYDQZSA-N 2 1 388.600 3.929 20 0 GHADMP C[NH+]1CCC(c2ccc(NC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001252938378 1039280587 /nfs/dbraw/zinc/28/05/87/1039280587.db2.gz XANHOABIFPCYKT-XMMPIXPASA-N 2 1 379.548 3.545 20 0 GHADMP C[NH+]1CCC(c2ccc(NC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001252938377 1039280999 /nfs/dbraw/zinc/28/09/99/1039280999.db2.gz XANHOABIFPCYKT-DEOSSOPVSA-N 2 1 379.548 3.545 20 0 GHADMP CC(C)C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001253396686 1039598582 /nfs/dbraw/zinc/59/85/82/1039598582.db2.gz CODCWAAZHWYUTC-GUDVDZBRSA-N 2 1 399.620 3.529 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC001233852954 1039665795 /nfs/dbraw/zinc/66/57/95/1039665795.db2.gz UOJDJZFWUAZFAE-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(C)[nH+]1 ZINC001253507624 1039684330 /nfs/dbraw/zinc/68/43/30/1039684330.db2.gz IOMZHFUAPBTQEO-QHCPKHFHSA-N 2 1 378.520 3.640 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(C)[nH+]1 ZINC001253507624 1039684332 /nfs/dbraw/zinc/68/43/32/1039684332.db2.gz IOMZHFUAPBTQEO-QHCPKHFHSA-N 2 1 378.520 3.640 20 0 GHADMP CCCCC[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001253528650 1039691636 /nfs/dbraw/zinc/69/16/36/1039691636.db2.gz PENDQBDSRBDIEX-RTBURBONSA-N 2 1 380.598 3.745 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccncc1Cl)CC2 ZINC001278729927 1039729270 /nfs/dbraw/zinc/72/92/70/1039729270.db2.gz UWWRNVYKALDCRM-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP CC(C)[N@H+](CC(=O)c1ccccc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040140 1039970358 /nfs/dbraw/zinc/97/03/58/1039970358.db2.gz QCINAVBXYULPOB-UHFFFAOYSA-N 2 1 380.532 3.607 20 0 GHADMP CC(C)[N@@H+](CC(=O)c1ccccc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254040140 1039970361 /nfs/dbraw/zinc/97/03/61/1039970361.db2.gz QCINAVBXYULPOB-UHFFFAOYSA-N 2 1 380.532 3.607 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001254118536 1039995707 /nfs/dbraw/zinc/99/57/07/1039995707.db2.gz PHGGWMYHNCQLAY-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001254238923 1040091113 /nfs/dbraw/zinc/09/11/13/1040091113.db2.gz QHCKQPSMQISRHQ-BHIYHBOVSA-N 2 1 393.572 3.817 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001254297101 1040148358 /nfs/dbraw/zinc/14/83/58/1040148358.db2.gz IJFXCKUXGUYESP-FHWLQOOXSA-N 2 1 395.588 3.527 20 0 GHADMP CC(C)(C)c1ccc(OCc2ccccc2)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234994162 1040488327 /nfs/dbraw/zinc/48/83/27/1040488327.db2.gz PUIRGTMSMYHWCK-RUZDIDTESA-N 2 1 393.575 3.700 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cc2)cc1 ZINC001234992188 1040488394 /nfs/dbraw/zinc/48/83/94/1040488394.db2.gz XTZSDUKJLPZBDA-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235006893 1040497041 /nfs/dbraw/zinc/49/70/41/1040497041.db2.gz IRSOEMVHPNQIKC-XMMPIXPASA-N 2 1 379.548 3.965 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235006893 1040497046 /nfs/dbraw/zinc/49/70/46/1040497046.db2.gz IRSOEMVHPNQIKC-XMMPIXPASA-N 2 1 379.548 3.965 20 0 GHADMP CCOc1cc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1OCCCOC ZINC001235046519 1040537792 /nfs/dbraw/zinc/53/77/92/1040537792.db2.gz RAHDRGKEFWWNMX-JOCHJYFZSA-N 2 1 376.541 3.609 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)CC2)ccc1OCCCOC ZINC001235046519 1040537810 /nfs/dbraw/zinc/53/78/10/1040537810.db2.gz RAHDRGKEFWWNMX-JOCHJYFZSA-N 2 1 376.541 3.609 20 0 GHADMP Cc1nnc(-c2ccc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)o1 ZINC001235061933 1040551553 /nfs/dbraw/zinc/55/15/53/1040551553.db2.gz SHAMYORFRNIFHW-NRFANRHFSA-N 2 1 376.504 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2)o1 ZINC001235061933 1040551570 /nfs/dbraw/zinc/55/15/70/1040551570.db2.gz SHAMYORFRNIFHW-NRFANRHFSA-N 2 1 376.504 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)o1 ZINC001235061933 1040551585 /nfs/dbraw/zinc/55/15/85/1040551585.db2.gz SHAMYORFRNIFHW-NRFANRHFSA-N 2 1 376.504 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)o1 ZINC001235061933 1040551602 /nfs/dbraw/zinc/55/16/02/1040551602.db2.gz SHAMYORFRNIFHW-NRFANRHFSA-N 2 1 376.504 3.999 20 0 GHADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CCC4(F)F)c2c1 ZINC001235093546 1040582828 /nfs/dbraw/zinc/58/28/28/1040582828.db2.gz LXOVVXZFXNOWIG-HXUWFJFHSA-N 2 1 376.447 3.678 20 0 GHADMP Ic1ccccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153326 1040645926 /nfs/dbraw/zinc/64/59/26/1040645926.db2.gz JMPNQXULOCAEND-QGZVFWFLSA-N 2 1 384.305 3.645 20 0 GHADMP CCOc1ncc(Br)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235157845 1040651925 /nfs/dbraw/zinc/65/19/25/1040651925.db2.gz SDPHCEGCHZODIA-QGZVFWFLSA-N 2 1 382.346 3.597 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)c[nH]c21 ZINC001235251124 1040732677 /nfs/dbraw/zinc/73/26/77/1040732677.db2.gz MBHHGNGJJBOYQV-ZJSXRUAMSA-N 2 1 389.499 3.676 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)c[nH]c21 ZINC001235251124 1040732692 /nfs/dbraw/zinc/73/26/92/1040732692.db2.gz MBHHGNGJJBOYQV-ZJSXRUAMSA-N 2 1 389.499 3.676 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001235252305 1040733194 /nfs/dbraw/zinc/73/31/94/1040733194.db2.gz DQDNAPRTMPARRE-UHFFFAOYSA-N 2 1 379.548 3.819 20 0 GHADMP CC(C)([NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C(N)=O ZINC001255069007 1040762959 /nfs/dbraw/zinc/76/29/59/1040762959.db2.gz GDINCVXDLWODLK-TZBSWOFLSA-N 2 1 391.559 3.605 20 0 GHADMP [NH3+]C1(Cc2ccccc2Cl)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255108292 1040789996 /nfs/dbraw/zinc/78/99/96/1040789996.db2.gz NJIYHXCGRWQDNK-OAQYLSRUSA-N 2 1 383.967 3.950 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc3ccoc31)C2 ZINC001235326288 1040796483 /nfs/dbraw/zinc/79/64/83/1040796483.db2.gz UIFOQQKQOJINQO-WMZHIEFXSA-N 2 1 382.504 3.578 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2(Cc4ccncc4)CCOCC2)C3)cc1 ZINC001255130283 1040823853 /nfs/dbraw/zinc/82/38/53/1040823853.db2.gz CCJSUZQFEAQDLC-JOZNFPNDSA-N 2 1 391.559 3.959 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c21 ZINC001235349627 1040823887 /nfs/dbraw/zinc/82/38/87/1040823887.db2.gz AICAFQBMIJBDFT-HYBUGGRVSA-N 2 1 389.499 3.534 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235349644 1040824475 /nfs/dbraw/zinc/82/44/75/1040824475.db2.gz SMNAPPBBIAYXSN-MEKIYTOJSA-N 2 1 378.516 3.673 20 0 GHADMP [NH3+]C1(Cc2ccccn2)CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255131049 1040825501 /nfs/dbraw/zinc/82/55/01/1040825501.db2.gz MAJQOSHQMUGRHF-BKFWDETESA-N 2 1 390.575 3.613 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(-c4ccc(C)o4)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235351014 1040827205 /nfs/dbraw/zinc/82/72/05/1040827205.db2.gz BXBKIVRKZAASMD-REWPJTCUSA-N 2 1 382.504 3.620 20 0 GHADMP CC(C)(C)C(=O)CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255131462 1040827839 /nfs/dbraw/zinc/82/78/39/1040827839.db2.gz NRNARYKOVPDNQG-WBDAEOGXSA-N 2 1 397.607 3.851 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255131465 1040828414 /nfs/dbraw/zinc/82/84/14/1040828414.db2.gz DZPNTUGIPFDYGQ-QDJTUFDCSA-N 2 1 397.607 3.933 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255131465 1040828431 /nfs/dbraw/zinc/82/84/31/1040828431.db2.gz DZPNTUGIPFDYGQ-QDJTUFDCSA-N 3 1 397.607 3.933 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255131465 1040828447 /nfs/dbraw/zinc/82/84/47/1040828447.db2.gz DZPNTUGIPFDYGQ-QDJTUFDCSA-N 3 1 397.607 3.933 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCOCC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255131465 1040828461 /nfs/dbraw/zinc/82/84/61/1040828461.db2.gz DZPNTUGIPFDYGQ-QDJTUFDCSA-N 3 1 397.607 3.933 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCOCC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255131465 1040828479 /nfs/dbraw/zinc/82/84/79/1040828479.db2.gz DZPNTUGIPFDYGQ-QDJTUFDCSA-N 3 1 397.607 3.933 20 0 GHADMP CN(C)C(=O)c1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255136803 1040839213 /nfs/dbraw/zinc/83/92/13/1040839213.db2.gz SFFJOLPHGYNOIL-JOZNFPNDSA-N 2 1 391.559 3.716 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137795 1040843976 /nfs/dbraw/zinc/84/39/76/1040843976.db2.gz XOCGHHHZSQVEEJ-LUKWVAJMSA-N 2 1 383.580 3.762 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137795 1040843985 /nfs/dbraw/zinc/84/39/85/1040843985.db2.gz XOCGHHHZSQVEEJ-LUKWVAJMSA-N 2 1 383.580 3.762 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137795 1040843997 /nfs/dbraw/zinc/84/39/97/1040843997.db2.gz XOCGHHHZSQVEEJ-LUKWVAJMSA-N 2 1 383.580 3.762 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2cccc(-c4cncnc4)c2)CC3)cc1 ZINC001235361526 1040846534 /nfs/dbraw/zinc/84/65/34/1040846534.db2.gz FLGZHJPOUCMEPY-DQEYMECFSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2cccc(-c4cncnc4)c2)CC3)cc1 ZINC001235361531 1040847268 /nfs/dbraw/zinc/84/72/68/1040847268.db2.gz FLGZHJPOUCMEPY-JWQCQUIFSA-N 2 1 384.527 3.897 20 0 GHADMP FC(F)(F)c1nn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1C[NH2+]CC2 ZINC001255145417 1040858302 /nfs/dbraw/zinc/85/83/02/1040858302.db2.gz BNOXQKRZFNGKAI-FVQHAEBGSA-N 2 1 390.453 3.916 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255148824 1040862512 /nfs/dbraw/zinc/86/25/12/1040862512.db2.gz CFGDZRYULWPDKG-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255148824 1040862519 /nfs/dbraw/zinc/86/25/19/1040862519.db2.gz CFGDZRYULWPDKG-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)nc1 ZINC001255148824 1040862531 /nfs/dbraw/zinc/86/25/31/1040862531.db2.gz CFGDZRYULWPDKG-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001255148824 1040862539 /nfs/dbraw/zinc/86/25/39/1040862539.db2.gz CFGDZRYULWPDKG-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2cccc(-c4ncccn4)c2)CC3)cc1 ZINC001235368201 1040865061 /nfs/dbraw/zinc/86/50/61/1040865061.db2.gz JAECOUWTKNXZFV-NOZRDPDXSA-N 2 1 384.527 3.897 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235369193 1040865245 /nfs/dbraw/zinc/86/52/45/1040865245.db2.gz XPFGEEXIEQOLIU-URXFXBBRSA-N 2 1 380.532 3.847 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235369193 1040865271 /nfs/dbraw/zinc/86/52/71/1040865271.db2.gz XPFGEEXIEQOLIU-URXFXBBRSA-N 2 1 380.532 3.847 20 0 GHADMP CC(C)(C)c1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc(C(C)(C)C)c1O ZINC001235369649 1040870693 /nfs/dbraw/zinc/87/06/93/1040870693.db2.gz SVFCFOTUPOYREI-QZTZHPFYSA-N 2 1 386.580 3.940 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC(Oc4ccncn4)CC2)C3)cc1 ZINC001255151241 1040871195 /nfs/dbraw/zinc/87/11/95/1040871195.db2.gz URODOBAFCAGEON-WKCHPHFGSA-N 2 1 378.520 3.515 20 0 GHADMP Fc1ccc(N(C2CC[NH2+]CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC001255151379 1040874826 /nfs/dbraw/zinc/87/48/26/1040874826.db2.gz XRIDEROAGCMHSN-NUNAXRQHSA-N 2 1 394.538 3.975 20 0 GHADMP Brc1c2ccccc2sc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235377897 1040892691 /nfs/dbraw/zinc/89/26/91/1040892691.db2.gz FZIKYHOEVHPKQH-VEVIJQCQSA-N 2 1 393.350 3.617 20 0 GHADMP CN(c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1)c1ccccc1F ZINC001235380998 1040901914 /nfs/dbraw/zinc/90/19/14/1040901914.db2.gz YQTZRBXBWWHUIZ-KKLQWCBXSA-N 2 1 381.495 3.546 20 0 GHADMP CCOC(=O)C1CCC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001255262006 1040931768 /nfs/dbraw/zinc/93/17/68/1040931768.db2.gz RJQJQDYGTOYQAO-UABGHKMXSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001255262006 1040931782 /nfs/dbraw/zinc/93/17/82/1040931782.db2.gz RJQJQDYGTOYQAO-UABGHKMXSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001255262006 1040931783 /nfs/dbraw/zinc/93/17/83/1040931783.db2.gz RJQJQDYGTOYQAO-UABGHKMXSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001255262006 1040931784 /nfs/dbraw/zinc/93/17/84/1040931784.db2.gz RJQJQDYGTOYQAO-UABGHKMXSA-N 2 1 399.579 3.736 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431222 1040932115 /nfs/dbraw/zinc/93/21/15/1040932115.db2.gz YSOKEPCLZFXCFU-GJZGRUSLSA-N 2 1 397.357 3.678 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001255352265 1040957366 /nfs/dbraw/zinc/95/73/66/1040957366.db2.gz JULVDERQQBNGNP-FAWFWBEASA-N 2 1 390.527 3.685 20 0 GHADMP c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235519636 1040973858 /nfs/dbraw/zinc/97/38/58/1040973858.db2.gz MTSAPDNXIKMZMJ-GGAORHGYSA-N 2 1 387.568 3.644 20 0 GHADMP c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235519636 1040973859 /nfs/dbraw/zinc/97/38/59/1040973859.db2.gz MTSAPDNXIKMZMJ-GGAORHGYSA-N 2 1 387.568 3.644 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389037 1040977119 /nfs/dbraw/zinc/97/71/19/1040977119.db2.gz JANKZGCRSZKMGL-ICSRJNTNSA-N 2 1 375.557 3.934 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3(Cc4ccncc4)CCOCC3)CC2)cc1 ZINC001255388845 1040977378 /nfs/dbraw/zinc/97/73/78/1040977378.db2.gz ABORFFHORBFRIZ-HSZRJFAPSA-N 2 1 379.548 3.818 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001235551291 1040983052 /nfs/dbraw/zinc/98/30/52/1040983052.db2.gz HNXWRRNNNFOYOA-NZSAHSFTSA-N 2 1 399.476 3.715 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001235551291 1040983061 /nfs/dbraw/zinc/98/30/61/1040983061.db2.gz HNXWRRNNNFOYOA-NZSAHSFTSA-N 2 1 399.476 3.715 20 0 GHADMP CC(C)(C)OC(=O)NC12CC([NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)(C1)C2 ZINC001255398492 1040985526 /nfs/dbraw/zinc/98/55/26/1040985526.db2.gz WAXBHHRJECTODM-BVVFMGSASA-N 2 1 385.552 3.831 20 0 GHADMP CCCCOc1ncc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1C ZINC001235558600 1040986564 /nfs/dbraw/zinc/98/65/64/1040986564.db2.gz JYTRHMJLCOYIJC-UHFFFAOYSA-N 2 1 397.567 3.813 20 0 GHADMP CCCCOc1ncc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1C ZINC001235558600 1040986566 /nfs/dbraw/zinc/98/65/66/1040986566.db2.gz JYTRHMJLCOYIJC-UHFFFAOYSA-N 2 1 397.567 3.813 20 0 GHADMP Cc1noc([C@H]2C[C@@H]3CCN([C@@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401073 1040987583 /nfs/dbraw/zinc/98/75/83/1040987583.db2.gz QXCOSPVQEZIKTE-DXBBTUNJSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@@H]4CCC[N@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401073 1040987589 /nfs/dbraw/zinc/98/75/89/1040987589.db2.gz QXCOSPVQEZIKTE-DXBBTUNJSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401073 1040987597 /nfs/dbraw/zinc/98/75/97/1040987597.db2.gz QXCOSPVQEZIKTE-DXBBTUNJSA-N 2 1 396.535 3.585 20 0 GHADMP C(C[NH2+]C1CCCCC1)C[NH+]1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC001235560227 1040987850 /nfs/dbraw/zinc/98/78/50/1040987850.db2.gz OVZGFPUQOQNZQF-NRFANRHFSA-N 2 1 378.601 3.844 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255403241 1040989995 /nfs/dbraw/zinc/98/99/95/1040989995.db2.gz BXFTXJHVABAFMR-VWNXMTODSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403241 1040989996 /nfs/dbraw/zinc/98/99/96/1040989996.db2.gz BXFTXJHVABAFMR-VWNXMTODSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403241 1040989997 /nfs/dbraw/zinc/98/99/97/1040989997.db2.gz BXFTXJHVABAFMR-VWNXMTODSA-N 2 1 385.596 3.616 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCc4ncnc(C5CC5)c4CC3)CC2)cc1 ZINC001255402647 1040990326 /nfs/dbraw/zinc/99/03/26/1040990326.db2.gz KWZSQYPEWRDNKV-OAQYLSRUSA-N 2 1 376.548 3.809 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCc4ncnc(C5CC5)c4CC3)CC2)cc1 ZINC001255402647 1040990328 /nfs/dbraw/zinc/99/03/28/1040990328.db2.gz KWZSQYPEWRDNKV-OAQYLSRUSA-N 2 1 376.548 3.809 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCc4ncnc(C5CC5)c4CC3)CC2)cc1 ZINC001255402647 1040990336 /nfs/dbraw/zinc/99/03/36/1040990336.db2.gz KWZSQYPEWRDNKV-OAQYLSRUSA-N 2 1 376.548 3.809 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403467 1040991114 /nfs/dbraw/zinc/99/11/14/1040991114.db2.gz SDLYFPGWCAVNJU-QFIPXVFZSA-N 2 1 378.564 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408874 1040996434 /nfs/dbraw/zinc/99/64/34/1040996434.db2.gz DMZJPIVAMGNRJL-NJDAHSKKSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408874 1040996435 /nfs/dbraw/zinc/99/64/35/1040996435.db2.gz DMZJPIVAMGNRJL-NJDAHSKKSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255408874 1040996436 /nfs/dbraw/zinc/99/64/36/1040996436.db2.gz DMZJPIVAMGNRJL-NJDAHSKKSA-N 2 1 385.552 3.592 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255410386 1040999420 /nfs/dbraw/zinc/99/94/20/1040999420.db2.gz WCLLUCDGIWWWNK-NRFANRHFSA-N 2 1 380.536 3.683 20 0 GHADMP COc1cc(OC2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)ccn1 ZINC001255409927 1041001217 /nfs/dbraw/zinc/00/12/17/1041001217.db2.gz NHTNHOYTYJGWTJ-OAQYLSRUSA-N 2 1 395.547 3.988 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cn3c4c2cccc4C[NH2+]CC3)O1 ZINC001235588175 1041001845 /nfs/dbraw/zinc/00/18/45/1041001845.db2.gz PWXSETGLPVUILT-YMPZKCBVSA-N 2 1 397.563 3.539 20 0 GHADMP COc1ccc(Oc2ccc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)cc2)cc1 ZINC001462516885 1070319667 /nfs/dbraw/zinc/31/96/67/1070319667.db2.gz GIIJACZOISCUQP-UHFFFAOYSA-N 2 1 395.547 3.699 20 0 GHADMP c1c(C2CC[NH2+]CC2)nn2cc(C[N@@H+]3CCC[C@H](Cc4ccccc4)C3)cnc12 ZINC001235673583 1041131084 /nfs/dbraw/zinc/13/10/84/1041131084.db2.gz OWSHGDINAYOSMT-HXUWFJFHSA-N 2 1 389.547 3.651 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255596543 1041156256 /nfs/dbraw/zinc/15/62/56/1041156256.db2.gz YZVVTXGOJJGBSQ-UFYCRDLUSA-N 2 1 391.531 3.907 20 0 GHADMP Ic1ccc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc1 ZINC001235702925 1041181996 /nfs/dbraw/zinc/18/19/96/1041181996.db2.gz XGFBECCWMZFBQU-UHFFFAOYSA-N 2 1 384.305 3.503 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@H](C)CC(F)(F)F)CC2 ZINC001255649555 1041189819 /nfs/dbraw/zinc/18/98/19/1041189819.db2.gz BVVFFQNNSZULNU-AEFFLSMTSA-N 2 1 392.506 3.557 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[NH+](C2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CCO3)c1 ZINC001255676326 1041208030 /nfs/dbraw/zinc/20/80/30/1041208030.db2.gz FEPIWIYCHUTSSA-UNOLLAJISA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[NH+](C2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CCO3)c1 ZINC001255676326 1041208044 /nfs/dbraw/zinc/20/80/44/1041208044.db2.gz FEPIWIYCHUTSSA-UNOLLAJISA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001255676326 1041208051 /nfs/dbraw/zinc/20/80/51/1041208051.db2.gz FEPIWIYCHUTSSA-UNOLLAJISA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](C2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001255676326 1041208065 /nfs/dbraw/zinc/20/80/65/1041208065.db2.gz FEPIWIYCHUTSSA-UNOLLAJISA-N 2 1 383.580 3.682 20 0 GHADMP CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255679165 1041211512 /nfs/dbraw/zinc/21/15/12/1041211512.db2.gz TZDZBWCKEKYNBA-HNTVYWHESA-N 2 1 395.591 3.872 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)c2)CC1 ZINC001255688983 1041220161 /nfs/dbraw/zinc/22/01/61/1041220161.db2.gz GKHDIBAIAZAQQM-UHFFFAOYSA-N 2 1 379.548 3.513 20 0 GHADMP CCCCc1ncc(CN2CC[NH2+][C@H](c3cccc(Br)c3)C2)[nH]1 ZINC001235802129 1041311012 /nfs/dbraw/zinc/31/10/12/1041311012.db2.gz XOELADVFHAXWQY-KRWDZBQOSA-N 2 1 377.330 3.661 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001255863568 1041354674 /nfs/dbraw/zinc/35/46/74/1041354674.db2.gz LLYAVJNGOPWWHK-KRWDZBQOSA-N 2 1 381.536 3.583 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001278897511 1041422954 /nfs/dbraw/zinc/42/29/54/1041422954.db2.gz BZLBVUGAJCSTFI-UHFFFAOYSA-N 2 1 377.330 3.593 20 0 GHADMP [NH3+]CCC1C[NH+](Cc2cc(Br)ccc2OCc2ccccc2)C1 ZINC001235918698 1041430110 /nfs/dbraw/zinc/43/01/10/1041430110.db2.gz IRVDYBSPLIPPPE-UHFFFAOYSA-N 2 1 375.310 3.809 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC001255958936 1041436564 /nfs/dbraw/zinc/43/65/64/1041436564.db2.gz HSGCYAXOKIKXBK-QGZVFWFLSA-N 2 1 392.613 3.529 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)n2)cc1 ZINC001235937141 1041441145 /nfs/dbraw/zinc/44/11/45/1041441145.db2.gz IAIFHOMWEXDRCG-HOTGVXAUSA-N 2 1 377.410 3.689 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 ZINC001255961949 1041442573 /nfs/dbraw/zinc/44/25/73/1041442573.db2.gz RAVGOHPHQBROBI-WWNPGLIZSA-N 2 1 389.584 3.590 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCN(C(=O)c3cccnc3)CC2)CC1 ZINC001255962347 1041442901 /nfs/dbraw/zinc/44/29/01/1041442901.db2.gz IISKAAIYTWULDG-HXUWFJFHSA-N 2 1 386.584 3.520 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001255962940 1041444315 /nfs/dbraw/zinc/44/43/15/1041444315.db2.gz LTHRUDZIBCUIPL-SFTDATJTSA-N 2 1 389.584 3.700 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001235947838 1041453334 /nfs/dbraw/zinc/45/33/34/1041453334.db2.gz LLRKQFQNCJQFOM-GXTWGEPZSA-N 2 1 378.294 3.606 20 0 GHADMP COc1ccccc1[C@@H](O)C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C(C)C ZINC001235963115 1041469139 /nfs/dbraw/zinc/46/91/39/1041469139.db2.gz PLBQQIFALNKYPQ-QFIPXVFZSA-N 2 1 393.531 3.697 20 0 GHADMP COc1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Cl)c1OC ZINC001235971962 1041476100 /nfs/dbraw/zinc/47/61/00/1041476100.db2.gz DNYRDWRCPBOJOX-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP COc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Cl)c1OC ZINC001235971962 1041476113 /nfs/dbraw/zinc/47/61/13/1041476113.db2.gz DNYRDWRCPBOJOX-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC001256066644 1041504644 /nfs/dbraw/zinc/50/46/44/1041504644.db2.gz LGZVHLXVFBYXQS-RTWAWAEBSA-N 2 1 385.552 3.954 20 0 GHADMP Brc1ccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)cc1 ZINC001256071578 1041506864 /nfs/dbraw/zinc/50/68/64/1041506864.db2.gz FFCXAHBKFZDSRF-UHFFFAOYSA-N 2 1 379.342 3.671 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cccc(-c2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001236016870 1041508756 /nfs/dbraw/zinc/50/87/56/1041508756.db2.gz GSJWKLQURCKGIS-QHCPKHFHSA-N 2 1 384.495 3.912 20 0 GHADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)C1 ZINC001236080949 1041525836 /nfs/dbraw/zinc/52/58/36/1041525836.db2.gz ZKGOIGRNIAFFBE-FQEVSTJZSA-N 2 1 385.939 3.526 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236098486 1041533227 /nfs/dbraw/zinc/53/32/27/1041533227.db2.gz QPIKRZRDFFGERI-CTNGQTDRSA-N 2 1 384.545 3.705 20 0 GHADMP c1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001236210394 1041621410 /nfs/dbraw/zinc/62/14/10/1041621410.db2.gz VHIGGFMNRZWEPK-VWLOTQADSA-N 2 1 375.560 3.961 20 0 GHADMP c1ccc(CN(C2CC2)[C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001236210394 1041621417 /nfs/dbraw/zinc/62/14/17/1041621417.db2.gz VHIGGFMNRZWEPK-VWLOTQADSA-N 2 1 375.560 3.961 20 0 GHADMP c1ccc(CN(C2CC2)[C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001236210394 1041621430 /nfs/dbraw/zinc/62/14/30/1041621430.db2.gz VHIGGFMNRZWEPK-VWLOTQADSA-N 2 1 375.560 3.961 20 0 GHADMP Brc1cccc(Br)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320267 1041669744 /nfs/dbraw/zinc/66/97/44/1041669744.db2.gz OWGZTPPXDLROBX-TXEJJXNPSA-N 2 1 388.147 3.643 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320333 1041670547 /nfs/dbraw/zinc/67/05/47/1041670547.db2.gz ADKNMXIQYOEMAX-HDICACEKSA-N 2 1 384.495 3.941 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001256246185 1041673294 /nfs/dbraw/zinc/67/32/94/1041673294.db2.gz VKBPQCNBVCJRJP-UHFFFAOYSA-N 2 1 393.959 3.857 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001256246185 1041673296 /nfs/dbraw/zinc/67/32/96/1041673296.db2.gz VKBPQCNBVCJRJP-UHFFFAOYSA-N 2 1 393.959 3.857 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001256288124 1041684807 /nfs/dbraw/zinc/68/48/07/1041684807.db2.gz LAHQVRQWJXMDMY-UHFFFAOYSA-N 2 1 393.959 3.989 20 0 GHADMP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cnc1Br ZINC001236374612 1041686238 /nfs/dbraw/zinc/68/62/38/1041686238.db2.gz FFZYXTKGUSJKNS-CQSZACIVSA-N 2 1 382.346 3.597 20 0 GHADMP COc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cnc1Cl ZINC001236386027 1041693487 /nfs/dbraw/zinc/69/34/87/1041693487.db2.gz KVAJVUYIIRKBFF-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP CC[N@H+](Cc1cc(Br)cc(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236407998 1041704634 /nfs/dbraw/zinc/70/46/34/1041704634.db2.gz IYZMNKJLJOSIOT-NSHDSACASA-N 2 1 376.136 3.643 20 0 GHADMP C[C@@H](Cc1ccccn1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001256413804 1041723321 /nfs/dbraw/zinc/72/33/21/1041723321.db2.gz BSQJJQWMFMQAOF-REWPJTCUSA-N 2 1 379.548 3.768 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN(Cc2ccccn2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236488358 1041736850 /nfs/dbraw/zinc/73/68/50/1041736850.db2.gz VMCJZEQHWGOOJD-BJKOFHAPSA-N 2 1 378.564 3.690 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](Cc1ccccc1N1CCOCC1)C1CC[NH2+]CC1 ZINC001236521267 1041751828 /nfs/dbraw/zinc/75/18/28/1041751828.db2.gz JZYFKUQQCCWJMS-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1N1CCOCC1)C1CC[NH2+]CC1 ZINC001236521267 1041751833 /nfs/dbraw/zinc/75/18/33/1041751833.db2.gz JZYFKUQQCCWJMS-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP CNc1nc(SC)ncc1C[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236537474 1041755380 /nfs/dbraw/zinc/75/53/80/1041755380.db2.gz SDTSNELXKYKURO-QAQDUYKDSA-N 2 1 389.544 3.651 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236537474 1041755384 /nfs/dbraw/zinc/75/53/84/1041755384.db2.gz SDTSNELXKYKURO-QAQDUYKDSA-N 2 1 389.544 3.651 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(I)c2)CC2CC2)CC1 ZINC001236552385 1041759340 /nfs/dbraw/zinc/75/93/40/1041759340.db2.gz QBUGRSGKXXRSPA-QAQDUYKDSA-N 2 1 384.305 3.773 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236553024 1041759601 /nfs/dbraw/zinc/75/96/01/1041759601.db2.gz VXLNCVSOOPWYHJ-IYARVYRRSA-N 2 1 395.341 3.718 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccnc(OC(F)F)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236553966 1041760790 /nfs/dbraw/zinc/76/07/90/1041760790.db2.gz UVLQOCOJMOBHFU-IYARVYRRSA-N 2 1 391.462 3.964 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n1 ZINC001236644953 1041800351 /nfs/dbraw/zinc/80/03/51/1041800351.db2.gz BMAGRRXVVIPNJF-UHFFFAOYSA-N 2 1 399.560 3.808 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462566822 1070371770 /nfs/dbraw/zinc/37/17/70/1070371770.db2.gz PUUJGNDNJSENDX-HAGHYFMRSA-N 2 1 381.486 3.656 20 0 GHADMP CC[C@@H](CCC(=O)OC)C[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700620 1041840862 /nfs/dbraw/zinc/84/08/62/1041840862.db2.gz MVVVDPRGESXLPO-IHPCNDPISA-N 2 1 376.541 3.747 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cc2c(s1)C[NH2+]CC2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711588 1041847815 /nfs/dbraw/zinc/84/78/15/1041847815.db2.gz VEJIBFXBGNYNLG-WGSAOQKQSA-N 3 1 385.577 3.675 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001236742956 1041869870 /nfs/dbraw/zinc/86/98/70/1041869870.db2.gz UNGMDXRNHXIVLM-YHBQERECSA-N 3 1 396.554 3.507 20 0 GHADMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@@H]2c2ccc(C(F)(F)F)cc2)c1C ZINC001236819044 1041914808 /nfs/dbraw/zinc/91/48/08/1041914808.db2.gz LWTVZBFVIWYPKQ-GOSISDBHSA-N 2 1 379.426 3.872 20 0 GHADMP COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)c1 ZINC001236973729 1041973352 /nfs/dbraw/zinc/97/33/52/1041973352.db2.gz NFCMJCPBDKHGLR-QFIPXVFZSA-N 2 1 383.511 3.923 20 0 GHADMP COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)c1 ZINC001236973729 1041973353 /nfs/dbraw/zinc/97/33/53/1041973353.db2.gz NFCMJCPBDKHGLR-QFIPXVFZSA-N 2 1 383.511 3.923 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236991025 1041980590 /nfs/dbraw/zinc/98/05/90/1041980590.db2.gz SNQSVMXOBMTFLV-UHFFFAOYSA-N 2 1 384.543 3.737 20 0 GHADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001237045103 1042005620 /nfs/dbraw/zinc/00/56/20/1042005620.db2.gz XNNKJXDCGACKQO-UHFFFAOYSA-N 2 1 379.426 3.627 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CC3CCC2CC3)CC1 ZINC001237096580 1042033626 /nfs/dbraw/zinc/03/36/26/1042033626.db2.gz RCXPVKYOELNELA-UHFFFAOYSA-N 2 1 378.358 3.575 20 0 GHADMP COc1cccc2c(C[N@H+]3C[C@H]4CN(Cc5cccs5)C[C@H]4C3)ccnc12 ZINC001237106507 1042040207 /nfs/dbraw/zinc/04/02/07/1042040207.db2.gz SPGRBDPGUJQAFH-HDICACEKSA-N 2 1 379.529 3.869 20 0 GHADMP COc1cccc2c(C[N@@H+]3C[C@H]4CN(Cc5cccs5)C[C@H]4C3)ccnc12 ZINC001237106507 1042040217 /nfs/dbraw/zinc/04/02/17/1042040217.db2.gz SPGRBDPGUJQAFH-HDICACEKSA-N 2 1 379.529 3.869 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1ccc(Br)c(Br)c1)CC2 ZINC001237356417 1042166470 /nfs/dbraw/zinc/16/64/70/1042166470.db2.gz KAMSQLYFBKBBDR-AWEZNQCLSA-N 2 1 388.147 3.915 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001237480875 1042227245 /nfs/dbraw/zinc/22/72/45/1042227245.db2.gz NSXGXGLSUQOIRA-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001237480875 1042227249 /nfs/dbraw/zinc/22/72/49/1042227249.db2.gz NSXGXGLSUQOIRA-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP Clc1ncnc2ccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)cc12 ZINC001237577300 1042269800 /nfs/dbraw/zinc/26/98/00/1042269800.db2.gz QWMNKZORRRQJIX-MOPGFXCFSA-N 2 1 393.922 3.632 20 0 GHADMP Clc1ncnc2ccc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)cc12 ZINC001237577300 1042269803 /nfs/dbraw/zinc/26/98/03/1042269803.db2.gz QWMNKZORRRQJIX-MOPGFXCFSA-N 2 1 393.922 3.632 20 0 GHADMP Clc1ncnc2ccc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)cc12 ZINC001237577300 1042269808 /nfs/dbraw/zinc/26/98/08/1042269808.db2.gz QWMNKZORRRQJIX-MOPGFXCFSA-N 2 1 393.922 3.632 20 0 GHADMP Clc1ncnc2ccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)cc12 ZINC001237577300 1042269811 /nfs/dbraw/zinc/26/98/11/1042269811.db2.gz QWMNKZORRRQJIX-MOPGFXCFSA-N 2 1 393.922 3.632 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](CCCc1ccccc1Cl)CC2 ZINC001278135244 1042337767 /nfs/dbraw/zinc/33/77/67/1042337767.db2.gz PNPWAXJZMKIMNW-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](CCCc1ccccc1Cl)CC2 ZINC001278135244 1042337773 /nfs/dbraw/zinc/33/77/73/1042337773.db2.gz PNPWAXJZMKIMNW-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP CCc1ncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC001237824165 1042387379 /nfs/dbraw/zinc/38/73/79/1042387379.db2.gz ONZANXGGMXERBZ-INIZCTEOSA-N 2 1 375.538 3.554 20 0 GHADMP CCc1ncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001237826677 1042389033 /nfs/dbraw/zinc/38/90/33/1042389033.db2.gz XHJPEQLTKMGPKA-LJQANCHMSA-N 2 1 385.577 3.961 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@H](F)[C@@](O)(C(F)(F)F)CC3)cc21 ZINC001237880976 1042407264 /nfs/dbraw/zinc/40/72/64/1042407264.db2.gz LQHBWOJOSFXFNX-PKOBYXMFSA-N 2 1 386.433 3.915 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237896239 1042413885 /nfs/dbraw/zinc/41/38/85/1042413885.db2.gz REMGATAGBNXLBB-DEOSSOPVSA-N 2 1 386.580 3.903 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237896239 1042413886 /nfs/dbraw/zinc/41/38/86/1042413886.db2.gz REMGATAGBNXLBB-DEOSSOPVSA-N 2 1 386.580 3.903 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237896239 1042413888 /nfs/dbraw/zinc/41/38/88/1042413888.db2.gz REMGATAGBNXLBB-DEOSSOPVSA-N 2 1 386.580 3.903 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237896239 1042413890 /nfs/dbraw/zinc/41/38/90/1042413890.db2.gz REMGATAGBNXLBB-DEOSSOPVSA-N 2 1 386.580 3.903 20 0 GHADMP CCOc1cc(CN2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)ccc1C ZINC001238075062 1042482210 /nfs/dbraw/zinc/48/22/10/1042482210.db2.gz WPXFPDYVYDPRHZ-UHFFFAOYSA-N 2 1 382.552 3.758 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)ccc1C ZINC001238075062 1042482213 /nfs/dbraw/zinc/48/22/13/1042482213.db2.gz WPXFPDYVYDPRHZ-UHFFFAOYSA-N 2 1 382.552 3.758 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)C2)CC1 ZINC001238209709 1042520029 /nfs/dbraw/zinc/52/00/29/1042520029.db2.gz GBESIVZYMWMPER-UHFFFAOYSA-N 2 1 385.552 3.902 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1O ZINC001238365777 1042570748 /nfs/dbraw/zinc/57/07/48/1042570748.db2.gz GOQMMVCAXJMGJF-RTBURBONSA-N 2 1 384.495 3.884 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1O ZINC001238365777 1042570753 /nfs/dbraw/zinc/57/07/53/1042570753.db2.gz GOQMMVCAXJMGJF-RTBURBONSA-N 2 1 384.495 3.884 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1O ZINC001238365777 1042570755 /nfs/dbraw/zinc/57/07/55/1042570755.db2.gz GOQMMVCAXJMGJF-RTBURBONSA-N 2 1 384.495 3.884 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ncc(C)cc4C)CC3)C2)c1 ZINC001238427606 1042593285 /nfs/dbraw/zinc/59/32/85/1042593285.db2.gz BWIPTTCHWOORNF-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ncc(C)cc4C)CC3)C2)c1 ZINC001238427606 1042593287 /nfs/dbraw/zinc/59/32/87/1042593287.db2.gz BWIPTTCHWOORNF-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP CC(C)Oc1cncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001238464175 1042604861 /nfs/dbraw/zinc/60/48/61/1042604861.db2.gz TUGKITKTSFEXJO-FQEVSTJZSA-N 2 1 399.535 3.717 20 0 GHADMP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(I)c(C)c2)CC1 ZINC001238729627 1042705632 /nfs/dbraw/zinc/70/56/32/1042705632.db2.gz MEZKOIYECMRDGV-UHFFFAOYSA-N 2 1 386.321 3.824 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(I)c(C)c2)CC1 ZINC001238729627 1042705636 /nfs/dbraw/zinc/70/56/36/1042705636.db2.gz MEZKOIYECMRDGV-UHFFFAOYSA-N 2 1 386.321 3.824 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1c(C)cc(F)cc1Cl)C2 ZINC001238784052 1042726002 /nfs/dbraw/zinc/72/60/02/1042726002.db2.gz UNKDLJFJCALKAY-UTKZUKDTSA-N 2 1 380.935 3.968 20 0 GHADMP CCCCCCOC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001239316311 1042808007 /nfs/dbraw/zinc/80/80/07/1042808007.db2.gz APIJIZXMHXTDLF-OAQYLSRUSA-N 2 1 387.568 3.795 20 0 GHADMP C[NH+]1CCN(Cc2ccc(-c3ccccc3CO[C@H]3CCCC[C@@H]3[NH3+])cc2)CC1 ZINC001240415650 1042927790 /nfs/dbraw/zinc/92/77/90/1042927790.db2.gz ZHIHOLXQHRCMLK-DQEYMECFSA-N 2 1 393.575 3.888 20 0 GHADMP CC[NH+](CC)Cc1ccncc1-c1ccc(C2(N3CC[NH+](C)CC3)CC2)cc1 ZINC001240596558 1042945555 /nfs/dbraw/zinc/94/55/55/1042945555.db2.gz OUXDBEAEUALLKP-UHFFFAOYSA-N 2 1 378.564 3.827 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256521998 1043447724 /nfs/dbraw/zinc/44/77/24/1043447724.db2.gz CCPUNTOLWOUFLU-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256521998 1043447738 /nfs/dbraw/zinc/44/77/38/1043447738.db2.gz CCPUNTOLWOUFLU-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H](n2nc(-c3ccccc3)nc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC001256525972 1043452791 /nfs/dbraw/zinc/45/27/91/1043452791.db2.gz HINBGSSRAYYFSZ-RXVVDRJESA-N 2 1 375.520 3.672 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256534580 1043470309 /nfs/dbraw/zinc/47/03/09/1043470309.db2.gz SGORUFWZXHDDPV-TZYHBYERSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256534580 1043470317 /nfs/dbraw/zinc/47/03/17/1043470317.db2.gz SGORUFWZXHDDPV-TZYHBYERSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256535767 1043476324 /nfs/dbraw/zinc/47/63/24/1043476324.db2.gz CXRPTISTYMNXDG-BJLQDIEVSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256535767 1043476334 /nfs/dbraw/zinc/47/63/34/1043476334.db2.gz CXRPTISTYMNXDG-BJLQDIEVSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536349 1043480390 /nfs/dbraw/zinc/48/03/90/1043480390.db2.gz DMSBOLLZBNKUTM-RCZVLFRGSA-N 3 1 399.623 3.864 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536349 1043480408 /nfs/dbraw/zinc/48/04/08/1043480408.db2.gz DMSBOLLZBNKUTM-RCZVLFRGSA-N 3 1 399.623 3.864 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256537256 1043482943 /nfs/dbraw/zinc/48/29/43/1043482943.db2.gz NHLNPYAKZJTKHX-DENIHFKCSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256537256 1043482966 /nfs/dbraw/zinc/48/29/66/1043482966.db2.gz NHLNPYAKZJTKHX-DENIHFKCSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C[NH+]1CCCCC1 ZINC001291849161 1043500598 /nfs/dbraw/zinc/50/05/98/1043500598.db2.gz CUEXBVGHBNEMFE-IRLDBZIGSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CCN1Cc1ccccc1 ZINC001256550636 1043513534 /nfs/dbraw/zinc/51/35/34/1043513534.db2.gz MYOLRAKVDUBVBC-OTUUDDROSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256550636 1043513539 /nfs/dbraw/zinc/51/35/39/1043513539.db2.gz MYOLRAKVDUBVBC-OTUUDDROSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256550636 1043513553 /nfs/dbraw/zinc/51/35/53/1043513553.db2.gz MYOLRAKVDUBVBC-OTUUDDROSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550636 1043513566 /nfs/dbraw/zinc/51/35/66/1043513566.db2.gz MYOLRAKVDUBVBC-OTUUDDROSA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550636 1043513571 /nfs/dbraw/zinc/51/35/71/1043513571.db2.gz MYOLRAKVDUBVBC-OTUUDDROSA-N 2 1 384.564 3.700 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552309 1043516029 /nfs/dbraw/zinc/51/60/29/1043516029.db2.gz BELPFFUYAJSWCE-HUVFLSCGSA-N 2 1 385.596 3.615 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552309 1043516038 /nfs/dbraw/zinc/51/60/38/1043516038.db2.gz BELPFFUYAJSWCE-HUVFLSCGSA-N 2 1 385.596 3.615 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552309 1043516040 /nfs/dbraw/zinc/51/60/40/1043516040.db2.gz BELPFFUYAJSWCE-HUVFLSCGSA-N 2 1 385.596 3.615 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C)n1 ZINC001256556688 1043525864 /nfs/dbraw/zinc/52/58/64/1043525864.db2.gz INJPUMMEKCFRIA-AUSIDOKSSA-N 2 1 393.579 3.705 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(C)[nH+]1 ZINC001256556688 1043525869 /nfs/dbraw/zinc/52/58/69/1043525869.db2.gz INJPUMMEKCFRIA-AUSIDOKSSA-N 3 1 393.579 3.705 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C)[nH+]1 ZINC001256556688 1043525875 /nfs/dbraw/zinc/52/58/75/1043525875.db2.gz INJPUMMEKCFRIA-AUSIDOKSSA-N 3 1 393.579 3.705 20 0 GHADMP CC(C)(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001256574590 1043547925 /nfs/dbraw/zinc/54/79/25/1043547925.db2.gz BYUAOFPFMNEYNZ-UHFFFAOYSA-N 2 1 399.501 3.966 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256584677 1043553922 /nfs/dbraw/zinc/55/39/22/1043553922.db2.gz UBQJKWRFXFVSRS-YHBQERECSA-N 2 1 396.554 3.957 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001256604688 1043567745 /nfs/dbraw/zinc/56/77/45/1043567745.db2.gz PQRPGYLYDHRBPP-LOSJGSFVSA-N 2 1 393.575 3.530 20 0 GHADMP O=C1CCC2(CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)N1CC1CC1 ZINC001256605641 1043569183 /nfs/dbraw/zinc/56/91/83/1043569183.db2.gz HJSGTUMHDNQRJV-UHFFFAOYSA-N 2 1 381.564 3.518 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)cc1)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695676 1043627480 /nfs/dbraw/zinc/62/74/80/1043627480.db2.gz JPYRYKZQFCOBDI-UHFFFAOYSA-N 2 1 381.358 3.914 20 0 GHADMP C[C@]1(c2ccc(Cl)cc2)C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256695870 1043627633 /nfs/dbraw/zinc/62/76/33/1043627633.db2.gz QSUIKXUXCCHLGR-XVAXZDLZSA-N 2 1 378.944 3.531 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH2+][C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)CCO2)cc1 ZINC001256792336 1043654028 /nfs/dbraw/zinc/65/40/28/1043654028.db2.gz JACOEURTEZVZEV-OJJQZRKESA-N 2 1 397.607 3.835 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCO[C@H](c4ccccc4)C3)C2)C1 ZINC001256807378 1043661966 /nfs/dbraw/zinc/66/19/66/1043661966.db2.gz AJHSSIIPZLTHHL-JLLPCOHGSA-N 2 1 384.564 3.587 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCO[C@H](c4ccccc4)C3)C2)C1 ZINC001256807378 1043661974 /nfs/dbraw/zinc/66/19/74/1043661974.db2.gz AJHSSIIPZLTHHL-JLLPCOHGSA-N 2 1 384.564 3.587 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCO[C@H](c4ccccc4)C3)C2)C1 ZINC001256807378 1043661983 /nfs/dbraw/zinc/66/19/83/1043661983.db2.gz AJHSSIIPZLTHHL-JLLPCOHGSA-N 2 1 384.564 3.587 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C2)C1 ZINC001256807380 1043663110 /nfs/dbraw/zinc/66/31/10/1043663110.db2.gz AJHSSIIPZLTHHL-MOUTVQLLSA-N 2 1 384.564 3.587 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C2)C1 ZINC001256807380 1043663117 /nfs/dbraw/zinc/66/31/17/1043663117.db2.gz AJHSSIIPZLTHHL-MOUTVQLLSA-N 2 1 384.564 3.587 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCO[C@@H](c4ccccc4)C3)C2)C1 ZINC001256807380 1043663119 /nfs/dbraw/zinc/66/31/19/1043663119.db2.gz AJHSSIIPZLTHHL-MOUTVQLLSA-N 2 1 384.564 3.587 20 0 GHADMP CC[C@@H]1[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001256860254 1043706536 /nfs/dbraw/zinc/70/65/36/1043706536.db2.gz XZDCJNUOKFFXSE-UPVQGACJSA-N 2 1 396.579 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)[C@@H](F)C1 ZINC001256900557 1043729880 /nfs/dbraw/zinc/72/98/80/1043729880.db2.gz PBTMSEVUZFCPAU-LMMKCTJWSA-N 2 1 383.552 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)[C@@H](F)C1 ZINC001256900557 1043729894 /nfs/dbraw/zinc/72/98/94/1043729894.db2.gz PBTMSEVUZFCPAU-LMMKCTJWSA-N 2 1 383.552 3.578 20 0 GHADMP Cc1cccc(N([C@H]2CO[C@]3(CC[NH2+]C3)C2)[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256912240 1043739072 /nfs/dbraw/zinc/73/90/72/1043739072.db2.gz BDQKXFSLJOACIN-WXFUMESZSA-N 2 1 383.580 3.729 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CCN([C@H]2CCC[NH+](C4CCCC4)C2)CC3)c1 ZINC001256919979 1043750174 /nfs/dbraw/zinc/75/01/74/1043750174.db2.gz XLGANQXYUDUWGS-QHCPKHFHSA-N 2 1 382.596 3.777 20 0 GHADMP c1cncc(C[NH+]2CCC3(C2)CCN([C@H]2CCC[N@@H+](C4CCCC4)C2)CC3)c1 ZINC001256919979 1043750185 /nfs/dbraw/zinc/75/01/85/1043750185.db2.gz XLGANQXYUDUWGS-QHCPKHFHSA-N 2 1 382.596 3.777 20 0 GHADMP c1cncc(C[NH+]2CCC3(C2)CCN([C@H]2CCC[N@H+](C4CCCC4)C2)CC3)c1 ZINC001256919979 1043750197 /nfs/dbraw/zinc/75/01/97/1043750197.db2.gz XLGANQXYUDUWGS-QHCPKHFHSA-N 2 1 382.596 3.777 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257068103 1043830654 /nfs/dbraw/zinc/83/06/54/1043830654.db2.gz KZPSNPDUHNIHQF-APWZRJJASA-N 2 1 398.469 3.991 20 0 GHADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001292800329 1043881680 /nfs/dbraw/zinc/88/16/80/1043881680.db2.gz XKAGOVHZWJOBMA-DHIUTWEWSA-N 2 1 397.538 3.580 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001257144608 1043893384 /nfs/dbraw/zinc/89/33/84/1043893384.db2.gz HIVIVWBCYLWREI-KNQAVFIVSA-N 2 1 380.532 3.906 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2CCN(c3[nH+]cccc3C)CC2)cc1 ZINC001257156518 1043904790 /nfs/dbraw/zinc/90/47/90/1043904790.db2.gz PXBFQNNPKQWNMX-GOSISDBHSA-N 2 1 381.520 3.756 20 0 GHADMP CC(C)[C@H]1C[C@H]([NH+]2CCC([N@H+](C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206893 1043936917 /nfs/dbraw/zinc/93/69/17/1043936917.db2.gz XFBLGFFYLXWDMJ-WOJBJXKFSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)[C@H]1C[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206893 1043936922 /nfs/dbraw/zinc/93/69/22/1043936922.db2.gz XFBLGFFYLXWDMJ-WOJBJXKFSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1 ZINC001257214804 1043938652 /nfs/dbraw/zinc/93/86/52/1043938652.db2.gz MATRCFJYJWPSFY-UHFFFAOYSA-N 2 1 381.358 3.605 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001257479926 1044010578 /nfs/dbraw/zinc/01/05/78/1044010578.db2.gz SGDXIRKYGKJCBD-WOJBJXKFSA-N 2 1 391.604 3.701 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001257479886 1044011372 /nfs/dbraw/zinc/01/13/72/1044011372.db2.gz RSSFPOFSXAQZRC-YVNJGZBMSA-N 2 1 377.617 3.998 20 0 GHADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257566121 1044052679 /nfs/dbraw/zinc/05/26/79/1044052679.db2.gz XDDNIABAZORSCA-UZLBHIALSA-N 2 1 395.385 3.955 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257566121 1044052697 /nfs/dbraw/zinc/05/26/97/1044052697.db2.gz XDDNIABAZORSCA-UZLBHIALSA-N 2 1 395.385 3.955 20 0 GHADMP C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001257971058 1044291905 /nfs/dbraw/zinc/29/19/05/1044291905.db2.gz SLZRKCOSWSVHEE-RTWAWAEBSA-N 2 1 387.568 3.681 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc3nnc(-c4cccc(F)c4)n3c2)CC1 ZINC001258007351 1044333972 /nfs/dbraw/zinc/33/39/72/1044333972.db2.gz CIEPRBRUHBIVDC-UHFFFAOYSA-N 2 1 381.499 3.745 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(C4CC[NH+](CC(C)C)CC4)CC3)C2)cc1 ZINC001258015459 1044341409 /nfs/dbraw/zinc/34/14/09/1044341409.db2.gz UZMOCISJHDZZAA-UHFFFAOYSA-N 2 1 399.623 3.782 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)CC1 ZINC001258014305 1044342095 /nfs/dbraw/zinc/34/20/95/1044342095.db2.gz FSLMELWTJWUHCB-HXUWFJFHSA-N 2 1 375.601 3.515 20 0 GHADMP CCOC(=O)CCC[C@@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258113115 1044401461 /nfs/dbraw/zinc/40/14/61/1044401461.db2.gz PMPHCDRJDHTCFZ-MISYRCLQSA-N 2 1 376.541 3.889 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258132338 1044417954 /nfs/dbraw/zinc/41/79/54/1044417954.db2.gz UXWWZZUVYXPHGK-RXVVDRJESA-N 2 1 387.568 3.539 20 0 GHADMP O=C(CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)OCc1ccccc1 ZINC001258135254 1044419357 /nfs/dbraw/zinc/41/93/57/1044419357.db2.gz WQOXSCXKQCQJMP-UHFFFAOYSA-N 2 1 380.532 3.807 20 0 GHADMP Cc1ccccc1C[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258138047 1044423658 /nfs/dbraw/zinc/42/36/58/1044423658.db2.gz QIZSXFCIVMFLTI-VWLOTQADSA-N 2 1 377.576 3.866 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)CC2)cc1 ZINC001258144010 1044431420 /nfs/dbraw/zinc/43/14/20/1044431420.db2.gz QTRMNLMYBXCEAW-UBFVSLLYSA-N 2 1 398.591 3.742 20 0 GHADMP c1ccc(CC[NH+]2CCC([N@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)CC2)cc1 ZINC001258144010 1044431425 /nfs/dbraw/zinc/43/14/25/1044431425.db2.gz QTRMNLMYBXCEAW-UBFVSLLYSA-N 2 1 398.591 3.742 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)CC2)cc1 ZINC001258146070 1044435598 /nfs/dbraw/zinc/43/55/98/1044435598.db2.gz QYQDLRVKZXQDGC-RSXGOPAZSA-N 2 1 389.587 3.900 20 0 GHADMP Cc1cccc(N2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)CC2)n1 ZINC001258147554 1044436942 /nfs/dbraw/zinc/43/69/42/1044436942.db2.gz MWOHQJKXDRLLAV-UHFFFAOYSA-N 2 1 378.564 3.609 20 0 GHADMP Cc1cccc(N2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)CC2)n1 ZINC001258147554 1044436953 /nfs/dbraw/zinc/43/69/53/1044436953.db2.gz MWOHQJKXDRLLAV-UHFFFAOYSA-N 2 1 378.564 3.609 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC001258149130 1044439887 /nfs/dbraw/zinc/43/98/87/1044439887.db2.gz ZDIRPBLZBAQOPD-RSXGOPAZSA-N 2 1 389.587 3.900 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)cc1 ZINC001258149130 1044439895 /nfs/dbraw/zinc/43/98/95/1044439895.db2.gz ZDIRPBLZBAQOPD-RSXGOPAZSA-N 2 1 389.587 3.900 20 0 GHADMP CSCC[C@H](C)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258198163 1044467987 /nfs/dbraw/zinc/46/79/87/1044467987.db2.gz HQTVPIKENCXHGB-INIZCTEOSA-N 2 1 385.618 3.582 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258418213 1044550566 /nfs/dbraw/zinc/55/05/66/1044550566.db2.gz HHIHVMREOJIJEG-MEMLXQNLSA-N 2 1 382.527 3.962 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC001294606176 1044724106 /nfs/dbraw/zinc/72/41/06/1044724106.db2.gz UNNPINVYWDRAEI-KEZOAJOQSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC001294606176 1044724119 /nfs/dbraw/zinc/72/41/19/1044724119.db2.gz UNNPINVYWDRAEI-KEZOAJOQSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001294606176 1044724133 /nfs/dbraw/zinc/72/41/33/1044724133.db2.gz UNNPINVYWDRAEI-KEZOAJOQSA-N 2 1 397.607 3.723 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746399 1044740254 /nfs/dbraw/zinc/74/02/54/1044740254.db2.gz HSGZGRXGTIBBTR-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746399 1044740271 /nfs/dbraw/zinc/74/02/71/1044740271.db2.gz HSGZGRXGTIBBTR-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746399 1044740288 /nfs/dbraw/zinc/74/02/88/1044740288.db2.gz HSGZGRXGTIBBTR-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746399 1044740306 /nfs/dbraw/zinc/74/03/06/1044740306.db2.gz HSGZGRXGTIBBTR-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP CCC[NH+]1CCC([N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001258777860 1044761679 /nfs/dbraw/zinc/76/16/79/1044761679.db2.gz LDOPVLAQKROOBS-GOSISDBHSA-N 2 1 379.589 3.972 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001258777860 1044761690 /nfs/dbraw/zinc/76/16/90/1044761690.db2.gz LDOPVLAQKROOBS-GOSISDBHSA-N 2 1 379.589 3.972 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@@H]1CCC[C@H](C)C1)CC2 ZINC001258820949 1044775188 /nfs/dbraw/zinc/77/51/88/1044775188.db2.gz QQHDGIDSBVPOKL-KSEOMHKRSA-N 2 1 378.601 3.795 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC001258855771 1044795379 /nfs/dbraw/zinc/79/53/79/1044795379.db2.gz QZBDKPLLORASEA-FGTMMUONSA-N 2 1 378.557 3.601 20 0 GHADMP CCOC[C@H]1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)Cc2ncn(CC3CC3)c21 ZINC001258911075 1044864947 /nfs/dbraw/zinc/86/49/47/1044864947.db2.gz ZRSFZSFFKAKKAY-UYAOXDASSA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)Cc2ncn(CC3CC3)c21 ZINC001258911075 1044864970 /nfs/dbraw/zinc/86/49/70/1044864970.db2.gz ZRSFZSFFKAKKAY-UYAOXDASSA-N 2 1 376.589 3.739 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295376480 1044992348 /nfs/dbraw/zinc/99/23/48/1044992348.db2.gz NHSDZRPBDHDXLY-QRVBRYPASA-N 2 1 390.620 3.585 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001296046568 1045233202 /nfs/dbraw/zinc/23/32/02/1045233202.db2.gz UMZRXSOQPBHAEC-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065639 1045240202 /nfs/dbraw/zinc/24/02/02/1045240202.db2.gz MUMLCESWRGMAGQ-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065639 1045240209 /nfs/dbraw/zinc/24/02/09/1045240209.db2.gz MUMLCESWRGMAGQ-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065639 1045240216 /nfs/dbraw/zinc/24/02/16/1045240216.db2.gz MUMLCESWRGMAGQ-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC001298317931 1045771779 /nfs/dbraw/zinc/77/17/79/1045771779.db2.gz FQYKVYODATUGCK-OFNKIYASSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)c1 ZINC001298317931 1045771783 /nfs/dbraw/zinc/77/17/83/1045771783.db2.gz FQYKVYODATUGCK-OFNKIYASSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)c1 ZINC001298317931 1045771787 /nfs/dbraw/zinc/77/17/87/1045771787.db2.gz FQYKVYODATUGCK-OFNKIYASSA-N 2 1 383.580 3.682 20 0 GHADMP C[C@H](c1ccccc1)n1cnn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001262482958 1046260341 /nfs/dbraw/zinc/26/03/41/1046260341.db2.gz QXALDWNRSFHUGK-GTAWCEEGSA-N 2 1 385.581 3.643 20 0 GHADMP C[C@H](c1ccccc1)n1cnn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001262482958 1046260353 /nfs/dbraw/zinc/26/03/53/1046260353.db2.gz QXALDWNRSFHUGK-GTAWCEEGSA-N 2 1 385.581 3.643 20 0 GHADMP CN(C)Cc1ccnc(NC(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)c1 ZINC001263648509 1047019774 /nfs/dbraw/zinc/01/97/74/1047019774.db2.gz UWJXFDWSGKNADC-QGZVFWFLSA-N 2 1 384.528 3.506 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(F)c(O)c1)CC2 ZINC001279656401 1047898312 /nfs/dbraw/zinc/89/83/12/1047898312.db2.gz GYOBTLDAPQAKQH-UHFFFAOYSA-N 2 1 375.513 3.784 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)ccc3I)(C1)CCC2 ZINC001280239646 1048143109 /nfs/dbraw/zinc/14/31/09/1048143109.db2.gz PPYJHJFXYSXGCK-DLBZAZTESA-N 2 1 384.305 3.754 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001288159928 1048995971 /nfs/dbraw/zinc/99/59/71/1048995971.db2.gz TVDZNYGYQMOODK-HSZRJFAPSA-N 2 1 385.596 3.725 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1)C(C)C ZINC001288350532 1049056890 /nfs/dbraw/zinc/05/68/90/1049056890.db2.gz JIDNFJRCZPYHQU-IBGZPJMESA-N 2 1 380.536 3.663 20 0 GHADMP COC(=O)C1(c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001307477372 1049314286 /nfs/dbraw/zinc/31/42/86/1049314286.db2.gz LDHHVOWRJYZQEQ-FPOVZHCZSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001307477372 1049314299 /nfs/dbraw/zinc/31/42/99/1049314299.db2.gz LDHHVOWRJYZQEQ-FPOVZHCZSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+]3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001307477372 1049314311 /nfs/dbraw/zinc/31/43/11/1049314311.db2.gz LDHHVOWRJYZQEQ-FPOVZHCZSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+]3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001307477372 1049314326 /nfs/dbraw/zinc/31/43/26/1049314326.db2.gz LDHHVOWRJYZQEQ-FPOVZHCZSA-N 2 1 384.564 3.978 20 0 GHADMP C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001307482614 1049320213 /nfs/dbraw/zinc/32/02/13/1049320213.db2.gz HKOYANDZUDVNIT-NRFANRHFSA-N 2 1 378.564 3.946 20 0 GHADMP C[C@@H](c1cccnc1)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001307482614 1049320225 /nfs/dbraw/zinc/32/02/25/1049320225.db2.gz HKOYANDZUDVNIT-NRFANRHFSA-N 2 1 378.564 3.946 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@@H](C)Cc3ccsc3)CC2)cc1 ZINC001307512472 1049355287 /nfs/dbraw/zinc/35/52/87/1049355287.db2.gz FDLJKVRPORPLFW-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)Cc3ccsc3)CC2)cc1 ZINC001307512472 1049355298 /nfs/dbraw/zinc/35/52/98/1049355298.db2.gz FDLJKVRPORPLFW-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)Cc3ccsc3)CC2)cc1 ZINC001307512472 1049355308 /nfs/dbraw/zinc/35/53/08/1049355308.db2.gz FDLJKVRPORPLFW-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)Cc3ccsc3)CC2)cc1 ZINC001307512472 1049355330 /nfs/dbraw/zinc/35/53/30/1049355330.db2.gz FDLJKVRPORPLFW-FQEVSTJZSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)C2CCCCCC2)CC1 ZINC001307669145 1049492199 /nfs/dbraw/zinc/49/21/99/1049492199.db2.gz VMTRGLYGKKDVLV-OAQYLSRUSA-N 2 1 385.596 3.978 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCCC[C@@H]1C ZINC001307683756 1049504258 /nfs/dbraw/zinc/50/42/58/1049504258.db2.gz KANZFQHUTJDKAS-SIKLNZKXSA-N 2 1 386.584 3.668 20 0 GHADMP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307776755 1049584724 /nfs/dbraw/zinc/58/47/24/1049584724.db2.gz BUBVWMIHWSXEIF-BJKOFHAPSA-N 2 1 394.559 3.992 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307883226 1049664452 /nfs/dbraw/zinc/66/44/52/1049664452.db2.gz CMYFBFRYLVRBIR-DVJXIFHOSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307883226 1049664459 /nfs/dbraw/zinc/66/44/59/1049664459.db2.gz CMYFBFRYLVRBIR-DVJXIFHOSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307883226 1049664464 /nfs/dbraw/zinc/66/44/64/1049664464.db2.gz CMYFBFRYLVRBIR-DVJXIFHOSA-N 2 1 393.575 3.877 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308039813 1049791290 /nfs/dbraw/zinc/79/12/90/1049791290.db2.gz IJURJTCPLFMNBP-INIZCTEOSA-N 2 1 379.460 3.715 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308039813 1049791293 /nfs/dbraw/zinc/79/12/93/1049791293.db2.gz IJURJTCPLFMNBP-INIZCTEOSA-N 2 1 379.460 3.715 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001308087203 1049834184 /nfs/dbraw/zinc/83/41/84/1049834184.db2.gz SWXUCKNJNXRTCS-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001308087203 1049834194 /nfs/dbraw/zinc/83/41/94/1049834194.db2.gz SWXUCKNJNXRTCS-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001308087203 1049834207 /nfs/dbraw/zinc/83/42/07/1049834207.db2.gz SWXUCKNJNXRTCS-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]1CCCC2 ZINC001308172130 1049899871 /nfs/dbraw/zinc/89/98/71/1049899871.db2.gz CMZHTOWCPJVOSY-DENIHFKCSA-N 2 1 379.589 3.879 20 0 GHADMP CSCc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC001308182739 1049904161 /nfs/dbraw/zinc/90/41/61/1049904161.db2.gz UICXIUQNQLXAFA-LJQANCHMSA-N 2 1 375.607 3.689 20 0 GHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001308224038 1049918746 /nfs/dbraw/zinc/91/87/46/1049918746.db2.gz DBHZLWJAPJKQIO-GJZGRUSLSA-N 2 1 395.510 3.932 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001308224038 1049918753 /nfs/dbraw/zinc/91/87/53/1049918753.db2.gz DBHZLWJAPJKQIO-GJZGRUSLSA-N 2 1 395.510 3.932 20 0 GHADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)OCCc2ccccc21 ZINC001308502486 1049991955 /nfs/dbraw/zinc/99/19/55/1049991955.db2.gz RWQBRRFGWPSAMN-XMMPIXPASA-N 2 1 382.523 3.910 20 0 GHADMP COC(=O)[C@]1(F)CCN(C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001308575648 1050015970 /nfs/dbraw/zinc/01/59/70/1050015970.db2.gz BVPUAEDIULRTBH-VXKWHMMOSA-N 2 1 376.516 3.512 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC001308622381 1050036737 /nfs/dbraw/zinc/03/67/37/1050036737.db2.gz PETVLWURXGIWDE-UHFFFAOYSA-N 2 1 381.520 3.680 20 0 GHADMP CCOC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001308728752 1050073452 /nfs/dbraw/zinc/07/34/52/1050073452.db2.gz SWNBFKSPOSGVHI-XMMPIXPASA-N 2 1 396.531 3.630 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C[C@H]1C ZINC001308919843 1050170038 /nfs/dbraw/zinc/17/00/38/1050170038.db2.gz SXXCKFZVEWNMQU-QTPAZIJBSA-N 2 1 385.552 3.751 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCCC[C@H]3[NH+](C)C)cc2)C1 ZINC001327674261 1050249264 /nfs/dbraw/zinc/24/92/64/1050249264.db2.gz MPAKCLAMMUKBPV-BVYCBKJFSA-N 2 1 386.584 3.591 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001327777112 1050275565 /nfs/dbraw/zinc/27/55/65/1050275565.db2.gz JSUVQHUBHPZZCY-RCCKNPSSSA-N 2 1 393.575 3.774 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001327879357 1050312013 /nfs/dbraw/zinc/31/20/13/1050312013.db2.gz FMXXHGRCYUOGPX-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001310447528 1051363492 /nfs/dbraw/zinc/36/34/92/1051363492.db2.gz VTYAUSUUPUUBNC-AVRDEDQJSA-N 2 1 384.568 3.565 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC001332424269 1051518812 /nfs/dbraw/zinc/51/88/12/1051518812.db2.gz JJXVHEKCMGBOME-UHFFFAOYSA-N 2 1 393.531 3.670 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)cc1 ZINC001311492667 1052199849 /nfs/dbraw/zinc/19/98/49/1052199849.db2.gz DDMNMCWIYSFSFX-WOJBJXKFSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC001311492667 1052199856 /nfs/dbraw/zinc/19/98/56/1052199856.db2.gz DDMNMCWIYSFSFX-WOJBJXKFSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC001311492667 1052199864 /nfs/dbraw/zinc/19/98/64/1052199864.db2.gz DDMNMCWIYSFSFX-WOJBJXKFSA-N 2 1 398.595 3.687 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001311578870 1052260430 /nfs/dbraw/zinc/26/04/30/1052260430.db2.gz UQLQMCBNQQOPQB-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC001336702830 1052310593 /nfs/dbraw/zinc/31/05/93/1052310593.db2.gz GJQRKGSHCMKZIO-GOSISDBHSA-N 2 1 376.504 3.765 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCn2c[nH+]cc2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC001336820950 1052343592 /nfs/dbraw/zinc/34/35/92/1052343592.db2.gz XXWTVDARYGCOHL-GOSISDBHSA-N 2 1 376.460 3.609 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001311891178 1052461098 /nfs/dbraw/zinc/46/10/98/1052461098.db2.gz UBGJVCXDWPOYNL-FQEVSTJZSA-N 2 1 392.563 3.554 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001312140010 1052593893 /nfs/dbraw/zinc/59/38/93/1052593893.db2.gz CHAGTDKCTTYEQT-QTEQDKRBSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001312140010 1052593900 /nfs/dbraw/zinc/59/39/00/1052593900.db2.gz CHAGTDKCTTYEQT-QTEQDKRBSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001312140010 1052593906 /nfs/dbraw/zinc/59/39/06/1052593906.db2.gz CHAGTDKCTTYEQT-QTEQDKRBSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC001312165884 1052610375 /nfs/dbraw/zinc/61/03/75/1052610375.db2.gz LNQHKFKCWBNEKL-JOCHJYFZSA-N 2 1 392.632 3.841 20 0 GHADMP CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC001312268521 1052670742 /nfs/dbraw/zinc/67/07/42/1052670742.db2.gz SUNIUHXBCDIJOU-BVSLBCMMSA-N 2 1 388.600 3.878 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001312995760 1052929574 /nfs/dbraw/zinc/92/95/74/1052929574.db2.gz ZRTSERJCPVUDEG-PGRDOPGGSA-N 2 1 399.583 3.677 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001312995760 1052929575 /nfs/dbraw/zinc/92/95/75/1052929575.db2.gz ZRTSERJCPVUDEG-PGRDOPGGSA-N 2 1 399.583 3.677 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC001313374104 1053035494 /nfs/dbraw/zinc/03/54/94/1053035494.db2.gz GMAWMLDDESVFTL-UHFFFAOYSA-N 2 1 378.605 3.547 20 0 GHADMP CC[N@@H+](CCn1c(C(C)C)nnc1N1CCC[NH+](C2CCCC2)CC1)C(C)C ZINC001313803435 1053239721 /nfs/dbraw/zinc/23/97/21/1053239721.db2.gz XNPWXZVXEYCGEL-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC[NH+](CCn1c(C(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)C(C)C ZINC001313803435 1053239726 /nfs/dbraw/zinc/23/97/26/1053239726.db2.gz XNPWXZVXEYCGEL-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC[NH+](CCn1c(C(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1)C(C)C ZINC001313803435 1053239739 /nfs/dbraw/zinc/23/97/39/1053239739.db2.gz XNPWXZVXEYCGEL-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001343677190 1053966826 /nfs/dbraw/zinc/96/68/26/1053966826.db2.gz TZEQRSHOJPVHRI-CVDCTZTESA-N 2 1 384.568 3.628 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc(OC(F)F)c1 ZINC001319392922 1055224465 /nfs/dbraw/zinc/22/44/65/1055224465.db2.gz GRMDOVCMLGNLEA-KRWDZBQOSA-N 2 1 389.490 3.886 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001319888973 1055523676 /nfs/dbraw/zinc/52/36/76/1055523676.db2.gz JDNJMTRUSARBAG-NVXWUHKLSA-N 2 1 398.954 3.598 20 0 GHADMP Cc1ccccc1[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001319946250 1055555655 /nfs/dbraw/zinc/55/56/55/1055555655.db2.gz RDVCJTOFQAMNRP-ZFJSRUIDSA-N 2 1 391.559 3.815 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC001320158820 1055681597 /nfs/dbraw/zinc/68/15/97/1055681597.db2.gz AHOFYCICPAURMC-YHYVQYDKSA-N 2 1 383.511 3.646 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001322945608 1056895530 /nfs/dbraw/zinc/89/55/30/1056895530.db2.gz ZISSLCVSMHAGGZ-QHCPKHFHSA-N 2 1 395.547 3.929 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001323003280 1056906522 /nfs/dbraw/zinc/90/65/22/1056906522.db2.gz LSSKKAGIMHERRN-YADHBBJMSA-N 2 1 390.462 3.561 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001323003280 1056906526 /nfs/dbraw/zinc/90/65/26/1056906526.db2.gz LSSKKAGIMHERRN-YADHBBJMSA-N 2 1 390.462 3.561 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001323154349 1056930950 /nfs/dbraw/zinc/93/09/50/1056930950.db2.gz JIJYSVRGILOYQP-DBVUQKKJSA-N 2 1 395.950 3.853 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001323154349 1056930952 /nfs/dbraw/zinc/93/09/52/1056930952.db2.gz JIJYSVRGILOYQP-DBVUQKKJSA-N 2 1 395.950 3.853 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001323154349 1056930960 /nfs/dbraw/zinc/93/09/60/1056930960.db2.gz JIJYSVRGILOYQP-DBVUQKKJSA-N 2 1 395.950 3.853 20 0 GHADMP F[C@H]1CC2(CC[C@H]1[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)OCCO2 ZINC001355320109 1057118267 /nfs/dbraw/zinc/11/82/67/1057118267.db2.gz AZWSEJLBKBDNQD-GLHNNUHNSA-N 2 1 388.527 3.795 20 0 GHADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000848566399 1057182203 /nfs/dbraw/zinc/18/22/03/1057182203.db2.gz XAZDFRLGUPWOEA-CWRNSKLLSA-N 2 1 381.586 3.687 20 0 GHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccn(-c4ccncc4)n3)c2C1 ZINC001324654932 1057191964 /nfs/dbraw/zinc/19/19/64/1057191964.db2.gz UJDYZMNYKXCFNF-UHFFFAOYSA-N 2 1 375.476 3.881 20 0 GHADMP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)c2C1 ZINC001324654932 1057191970 /nfs/dbraw/zinc/19/19/70/1057191970.db2.gz UJDYZMNYKXCFNF-UHFFFAOYSA-N 2 1 375.476 3.881 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccn3C3CC3)CC2)c1C ZINC001325129130 1057278715 /nfs/dbraw/zinc/27/87/15/1057278715.db2.gz VUWJKCPDMBLWGJ-UHFFFAOYSA-N 2 1 382.552 3.940 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccn3C3CC3)CC2)c1C ZINC001325129130 1057278720 /nfs/dbraw/zinc/27/87/20/1057278720.db2.gz VUWJKCPDMBLWGJ-UHFFFAOYSA-N 2 1 382.552 3.940 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000849092630 1057591960 /nfs/dbraw/zinc/59/19/60/1057591960.db2.gz VLIUMMCHYTVSSK-HXUWFJFHSA-N 2 1 394.519 3.695 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440647040 1058556312 /nfs/dbraw/zinc/55/63/12/1058556312.db2.gz OYNBTPQBLGMLFQ-QHCPKHFHSA-N 2 1 379.548 3.604 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440647040 1058556331 /nfs/dbraw/zinc/55/63/31/1058556331.db2.gz OYNBTPQBLGMLFQ-QHCPKHFHSA-N 2 1 379.548 3.604 20 0 GHADMP C[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001441533674 1058808582 /nfs/dbraw/zinc/80/85/82/1058808582.db2.gz XDLYBCLNKCCQIT-QHAWAJNXSA-N 2 1 385.596 3.709 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC001442596111 1058981464 /nfs/dbraw/zinc/98/14/64/1058981464.db2.gz URINLLRMVXBMET-RPWUZVMVSA-N 2 1 391.559 3.770 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001446188386 1059723259 /nfs/dbraw/zinc/72/32/59/1059723259.db2.gz KFQWPPWUQKCUAO-HSZRJFAPSA-N 2 1 397.607 3.869 20 0 GHADMP CC[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001447493290 1059971919 /nfs/dbraw/zinc/97/19/19/1059971919.db2.gz AKYKAPJYALWGBS-HSZRJFAPSA-N 2 1 379.548 3.527 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)C1CCCCC1 ZINC001340774947 1060114938 /nfs/dbraw/zinc/11/49/38/1060114938.db2.gz WMGJZKKSSPSDCT-YFXJRYMSSA-N 2 1 399.579 3.937 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)n1 ZINC001341006626 1060325789 /nfs/dbraw/zinc/32/57/89/1060325789.db2.gz PUONEQWSIAVITP-IFMALSPDSA-N 2 1 378.520 3.639 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001341006626 1060325804 /nfs/dbraw/zinc/32/58/04/1060325804.db2.gz PUONEQWSIAVITP-IFMALSPDSA-N 2 1 378.520 3.639 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC001341006626 1060325832 /nfs/dbraw/zinc/32/58/32/1060325832.db2.gz PUONEQWSIAVITP-IFMALSPDSA-N 2 1 378.520 3.639 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001454536231 1061820060 /nfs/dbraw/zinc/82/00/60/1061820060.db2.gz CMQCUXJAWGOTHR-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001454536231 1061820088 /nfs/dbraw/zinc/82/00/88/1061820088.db2.gz CMQCUXJAWGOTHR-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001435803237 1062937659 /nfs/dbraw/zinc/93/76/59/1062937659.db2.gz FJFDNEZAHXLHRE-WIYYLYMNSA-N 2 1 381.520 3.516 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(C)C)CC2)CC1 ZINC001459529005 1064121167 /nfs/dbraw/zinc/12/11/67/1064121167.db2.gz ZQETXBVGIRXKIB-OAQYLSRUSA-N 2 1 385.596 3.834 20 0 GHADMP CCC(CC)([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC001459736757 1064192711 /nfs/dbraw/zinc/19/27/11/1064192711.db2.gz WWMDNQIZOIZZTH-UHFFFAOYSA-N 2 1 386.367 3.762 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)CC[NH+]1CC[C@@H](F)C1)C1CCCCC1 ZINC001464398955 1064988846 /nfs/dbraw/zinc/98/88/46/1064988846.db2.gz CJZBRHLYTIRRBR-HXUWFJFHSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)C1CCCCC1 ZINC001464398955 1064988852 /nfs/dbraw/zinc/98/88/52/1064988852.db2.gz CJZBRHLYTIRRBR-HXUWFJFHSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)CC[N@H+]1CC[C@@H](F)C1)C1CCCCC1 ZINC001464398955 1064988854 /nfs/dbraw/zinc/98/88/54/1064988854.db2.gz CJZBRHLYTIRRBR-HXUWFJFHSA-N 2 1 375.532 3.501 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)c1ccc(C(F)(F)F)cc1 ZINC001464491357 1065042883 /nfs/dbraw/zinc/04/28/83/1065042883.db2.gz CZLMVNYUUAVAFP-ICSRJNTNSA-N 2 1 397.485 3.690 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001465515740 1065682424 /nfs/dbraw/zinc/68/24/24/1065682424.db2.gz RMZXRIMLYUOETH-XMSQKQJNSA-N 2 1 390.531 3.931 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC001465558188 1065714192 /nfs/dbraw/zinc/71/41/92/1065714192.db2.gz XHTKIHJGUQGUHP-PTUXOGIPSA-N 2 1 397.538 3.626 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC001465558188 1065714206 /nfs/dbraw/zinc/71/42/06/1065714206.db2.gz XHTKIHJGUQGUHP-PTUXOGIPSA-N 2 1 397.538 3.626 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001465617766 1065749319 /nfs/dbraw/zinc/74/93/19/1065749319.db2.gz WFKXKJJDGZFMEE-XMMPIXPASA-N 2 1 399.623 3.815 20 0 GHADMP CN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001465743994 1065824550 /nfs/dbraw/zinc/82/45/50/1065824550.db2.gz AMJNEUJJNZARAY-GOTSBHOMSA-N 2 1 379.548 3.802 20 0 GHADMP CCCCOc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC ZINC001200376408 1066025324 /nfs/dbraw/zinc/02/53/24/1066025324.db2.gz BQLQFBDGCGCFFO-FQEVSTJZSA-N 2 1 376.541 3.607 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCCCC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC001353569259 1066050029 /nfs/dbraw/zinc/05/00/29/1066050029.db2.gz DEOUBQQYXGLYQH-WIYYLYMNSA-N 2 1 377.598 3.807 20 0 GHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc2[nH]ccc2c1 ZINC000847879174 1066321708 /nfs/dbraw/zinc/32/17/08/1066321708.db2.gz MZONWDIJHFBKTJ-UHFFFAOYSA-N 2 1 382.552 3.717 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001466808028 1066328496 /nfs/dbraw/zinc/32/84/96/1066328496.db2.gz JHZZYUVRUTXZBJ-XLIONFOSSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001466808028 1066328523 /nfs/dbraw/zinc/32/85/23/1066328523.db2.gz JHZZYUVRUTXZBJ-XLIONFOSSA-N 2 1 377.960 3.685 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001466961591 1066414361 /nfs/dbraw/zinc/41/43/61/1066414361.db2.gz ABEXQZUZMORPOE-JOCHJYFZSA-N 2 1 385.596 3.869 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC001467307995 1067215265 /nfs/dbraw/zinc/21/52/65/1067215265.db2.gz JTZGXGYBFLPUBP-AEFFLSMTSA-N 2 1 385.474 3.546 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC001467340698 1067237740 /nfs/dbraw/zinc/23/77/40/1067237740.db2.gz RSAHFEOEPVJQET-HSZRJFAPSA-N 2 1 390.531 3.688 20 0 GHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001477657469 1078512332 /nfs/dbraw/zinc/51/23/32/1078512332.db2.gz WVTMRRWQMNRSCB-YLJYHZDGSA-N 2 1 394.991 3.724 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(Cl)cc1 ZINC001467845336 1067493870 /nfs/dbraw/zinc/49/38/70/1067493870.db2.gz FADRFBOWDMCEMX-GOSISDBHSA-N 2 1 379.976 3.756 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001468033190 1067574657 /nfs/dbraw/zinc/57/46/57/1067574657.db2.gz QOEOOANOAWPLFB-FQEVSTJZSA-N 2 1 394.991 3.754 20 0 GHADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001468240638 1067647433 /nfs/dbraw/zinc/64/74/33/1067647433.db2.gz KLSQEVPMIDVMQF-FGZHOGPDSA-N 2 1 383.580 3.620 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001468347662 1067696488 /nfs/dbraw/zinc/69/64/88/1067696488.db2.gz KOOQCPJSTYVNMB-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000849122406 1067738439 /nfs/dbraw/zinc/73/84/39/1067738439.db2.gz DQVQYHYKXVUZHY-ZJZGAYNASA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000849122406 1067738447 /nfs/dbraw/zinc/73/84/47/1067738447.db2.gz DQVQYHYKXVUZHY-ZJZGAYNASA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000849122406 1067738454 /nfs/dbraw/zinc/73/84/54/1067738454.db2.gz DQVQYHYKXVUZHY-ZJZGAYNASA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](CC3CCC4(CC3)OCCO4)C2)cc1 ZINC000849122406 1067738464 /nfs/dbraw/zinc/73/84/64/1067738464.db2.gz DQVQYHYKXVUZHY-ZJZGAYNASA-N 2 1 396.575 3.762 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001477866149 1078601682 /nfs/dbraw/zinc/60/16/82/1078601682.db2.gz YYDOGMJFJDCCFB-ILWGZMRPSA-N 2 1 388.600 3.926 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001469570446 1068231221 /nfs/dbraw/zinc/23/12/21/1068231221.db2.gz VMAATFIHUMSCCU-RRPUWOKSSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001469570446 1068231227 /nfs/dbraw/zinc/23/12/27/1068231227.db2.gz VMAATFIHUMSCCU-RRPUWOKSSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001469570446 1068231234 /nfs/dbraw/zinc/23/12/34/1068231234.db2.gz VMAATFIHUMSCCU-RRPUWOKSSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001469757436 1068363822 /nfs/dbraw/zinc/36/38/22/1068363822.db2.gz CMDMSLFTYUJGIY-UNMCSNQZSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001469923422 1068472255 /nfs/dbraw/zinc/47/22/55/1068472255.db2.gz KBAKCCMEMIJQDQ-FPOVZHCZSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001469923422 1068472262 /nfs/dbraw/zinc/47/22/62/1068472262.db2.gz KBAKCCMEMIJQDQ-FPOVZHCZSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001469923422 1068472266 /nfs/dbraw/zinc/47/22/66/1068472266.db2.gz KBAKCCMEMIJQDQ-FPOVZHCZSA-N 2 1 388.600 3.707 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC001470324189 1068681877 /nfs/dbraw/zinc/68/18/77/1068681877.db2.gz REWJZBXZJSUKFG-AVRDEDQJSA-N 2 1 386.584 3.683 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CC[N@H+](CC)C[C@H]2CC)[NH+](CC)CC)cc1 ZINC001470357155 1068697828 /nfs/dbraw/zinc/69/78/28/1068697828.db2.gz SOABQPWYUMXPIS-FGZHOGPDSA-N 2 1 388.600 3.758 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)[NH+](CC)CC)cc1 ZINC001470357243 1068698096 /nfs/dbraw/zinc/69/80/96/1068698096.db2.gz UXEHAZVZWDTQRN-LEWJYISDSA-N 2 1 388.600 3.804 20 0 GHADMP c1cc(C[NH+]2CCC(CCN3CCOCC3)CC2)ccc1C[NH+]1CCCCC1 ZINC001460111179 1068786962 /nfs/dbraw/zinc/78/69/62/1068786962.db2.gz MPBWOVSWIFFSER-UHFFFAOYSA-N 2 1 385.596 3.607 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](C4CCC4)CC3)cc2)CC1 ZINC001460668267 1069071828 /nfs/dbraw/zinc/07/18/28/1069071828.db2.gz CHBAYEMLWHUQRD-NRFANRHFSA-N 2 1 398.595 3.669 20 0 GHADMP COc1cccc([C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)c1 ZINC001460668170 1069071862 /nfs/dbraw/zinc/07/18/62/1069071862.db2.gz RXZPFQABGKZFJI-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP COc1cccc([C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CCN2)c1 ZINC001460668170 1069071867 /nfs/dbraw/zinc/07/18/67/1069071867.db2.gz RXZPFQABGKZFJI-XMMPIXPASA-N 2 1 379.548 3.828 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001470795927 1072743676 /nfs/dbraw/zinc/74/36/76/1072743676.db2.gz GTDYETUIKJYKFM-LEWJYISDSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)C1 ZINC001471045112 1072901837 /nfs/dbraw/zinc/90/18/37/1072901837.db2.gz HVUDZLNDNXTBNG-YADHBBJMSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001471045112 1072901842 /nfs/dbraw/zinc/90/18/42/1072901842.db2.gz HVUDZLNDNXTBNG-YADHBBJMSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001471045112 1072901846 /nfs/dbraw/zinc/90/18/46/1072901846.db2.gz HVUDZLNDNXTBNG-YADHBBJMSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001471505809 1073108297 /nfs/dbraw/zinc/10/82/97/1073108297.db2.gz WVQYLUNRVMOJST-MICDNJKTSA-N 2 1 398.595 3.698 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001471581638 1073146215 /nfs/dbraw/zinc/14/62/15/1073146215.db2.gz XBLXGMUQSZZCIU-IBGZPJMESA-N 2 1 380.536 3.664 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001478984092 1079051249 /nfs/dbraw/zinc/05/12/49/1079051249.db2.gz IYPICPIRWRISPQ-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001478984092 1079051250 /nfs/dbraw/zinc/05/12/50/1079051250.db2.gz IYPICPIRWRISPQ-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001478984092 1079051254 /nfs/dbraw/zinc/05/12/54/1079051254.db2.gz IYPICPIRWRISPQ-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[NH+](C)Cc1ccccc1 ZINC001472509812 1073522742 /nfs/dbraw/zinc/52/27/42/1073522742.db2.gz YWKXSYVSJJQUKQ-WMZHIEFXSA-N 2 1 379.548 3.746 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@H+](C)Cc1ccccc1 ZINC001472509812 1073522754 /nfs/dbraw/zinc/52/27/54/1073522754.db2.gz YWKXSYVSJJQUKQ-WMZHIEFXSA-N 2 1 379.548 3.746 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@@H+](C)Cc1ccccc1 ZINC001472509812 1073522769 /nfs/dbraw/zinc/52/27/69/1073522769.db2.gz YWKXSYVSJJQUKQ-WMZHIEFXSA-N 2 1 379.548 3.746 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC001472522486 1073528860 /nfs/dbraw/zinc/52/88/60/1073528860.db2.gz OQVJGMOWZVFCMS-HSZRJFAPSA-N 2 1 385.596 3.984 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001479142716 1079121295 /nfs/dbraw/zinc/12/12/95/1079121295.db2.gz KLPGJSORICDEBZ-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001479142716 1079121300 /nfs/dbraw/zinc/12/13/00/1079121300.db2.gz KLPGJSORICDEBZ-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001479142716 1079121304 /nfs/dbraw/zinc/12/13/04/1079121304.db2.gz KLPGJSORICDEBZ-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC[NH+]1Cc1ccccc1 ZINC001479142716 1079121309 /nfs/dbraw/zinc/12/13/09/1079121309.db2.gz KLPGJSORICDEBZ-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC[NH+]1Cc1ccccc1 ZINC001479142716 1079121312 /nfs/dbraw/zinc/12/13/12/1079121312.db2.gz KLPGJSORICDEBZ-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2c3ccccc3CN2C)CC1)CC1CC1 ZINC001479142803 1079121386 /nfs/dbraw/zinc/12/13/86/1079121386.db2.gz QSYFUXBBEXIKFH-QHCPKHFHSA-N 2 1 398.595 3.717 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(c3cc[nH+]cc3C(F)(F)F)C2)O1 ZINC001472861852 1073699848 /nfs/dbraw/zinc/69/98/48/1073699848.db2.gz DQJZZBDGBBFCRN-UZLBHIALSA-N 2 1 391.437 3.970 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(c3cc[nH+]cc3C(F)(F)F)C2)O1 ZINC001472861851 1073699929 /nfs/dbraw/zinc/69/99/29/1073699929.db2.gz DQJZZBDGBBFCRN-OXQOHEQNSA-N 2 1 391.437 3.970 20 0 GHADMP COCC[C@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473206989 1073860110 /nfs/dbraw/zinc/86/01/10/1073860110.db2.gz OEDWMWXOFDTEHN-XMMPIXPASA-N 2 1 387.612 3.892 20 0 GHADMP COCC[C@H](c1ccccc1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001473206989 1073860125 /nfs/dbraw/zinc/86/01/25/1073860125.db2.gz OEDWMWXOFDTEHN-XMMPIXPASA-N 3 1 387.612 3.892 20 0 GHADMP COCC[C@H](c1ccccc1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001473206989 1073860139 /nfs/dbraw/zinc/86/01/39/1073860139.db2.gz OEDWMWXOFDTEHN-XMMPIXPASA-N 3 1 387.612 3.892 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C)[C@@H](C)C1 ZINC001473407094 1073952428 /nfs/dbraw/zinc/95/24/28/1073952428.db2.gz NIXWGWVRMIYZJX-QFBILLFUSA-N 2 1 383.374 3.984 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)CC1 ZINC001473427242 1073960466 /nfs/dbraw/zinc/96/04/66/1073960466.db2.gz VVHQDEFSDOUQSG-PKOBYXMFSA-N 2 1 382.470 3.976 20 0 GHADMP Cc1nccn1CCC[N@@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001473468068 1073980033 /nfs/dbraw/zinc/98/00/33/1073980033.db2.gz DFOVSCYPXUVTKA-UHFFFAOYSA-N 2 1 386.540 3.651 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001473468068 1073980035 /nfs/dbraw/zinc/98/00/35/1073980035.db2.gz DFOVSCYPXUVTKA-UHFFFAOYSA-N 2 1 386.540 3.651 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001473468068 1073980040 /nfs/dbraw/zinc/98/00/40/1073980040.db2.gz DFOVSCYPXUVTKA-UHFFFAOYSA-N 2 1 386.540 3.651 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C3CCC3)CC2)CC1 ZINC001473743431 1074119744 /nfs/dbraw/zinc/11/97/44/1074119744.db2.gz SMUXAGHPUSFZCM-JOCHJYFZSA-N 2 1 397.607 3.978 20 0 GHADMP Oc1ccc(C[C@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001473874947 1074185756 /nfs/dbraw/zinc/18/57/56/1074185756.db2.gz IUJAOOYVSAFNRZ-HSZRJFAPSA-N 2 1 380.532 3.822 20 0 GHADMP Oc1ccc(C[C@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001473874947 1074185760 /nfs/dbraw/zinc/18/57/60/1074185760.db2.gz IUJAOOYVSAFNRZ-HSZRJFAPSA-N 2 1 380.532 3.822 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001473937309 1074211390 /nfs/dbraw/zinc/21/13/90/1074211390.db2.gz PPXFSCLSIZUSLS-HOTGVXAUSA-N 2 1 377.520 3.779 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001474027866 1074241324 /nfs/dbraw/zinc/24/13/24/1074241324.db2.gz JUGFYNNJVFEFFY-MSOLQXFVSA-N 2 1 399.373 3.827 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1-n1cncn1 ZINC001474036175 1074243397 /nfs/dbraw/zinc/24/33/97/1074243397.db2.gz VDHAYGOCTAWKAE-UGKGYDQZSA-N 2 1 375.520 3.718 20 0 GHADMP C[C@@]1(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001474130023 1074270972 /nfs/dbraw/zinc/27/09/72/1074270972.db2.gz DHUPZZXAZSRXEE-VWLOTQADSA-N 2 1 391.559 3.924 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC001474231015 1074301822 /nfs/dbraw/zinc/30/18/22/1074301822.db2.gz JRPWSZBHQCIZTL-KRWDZBQOSA-N 2 1 376.545 3.663 20 0 GHADMP Cc1ccc2cc(C[NH+]3CCN(c4ccccc4OCC[NH+](C)C)CC3)[nH]c2c1 ZINC001474376940 1074372678 /nfs/dbraw/zinc/37/26/78/1074372678.db2.gz UKGXAMSNJCICBX-UHFFFAOYSA-N 2 1 392.547 3.739 20 0 GHADMP CCC[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001474391783 1074381097 /nfs/dbraw/zinc/38/10/97/1074381097.db2.gz ZBCCQMVNDQLCCY-QFIPXVFZSA-N 2 1 375.520 3.754 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC001474613085 1074484867 /nfs/dbraw/zinc/48/48/67/1074484867.db2.gz XCZAZSHLMFEVHF-OAHLLOKOSA-N 2 1 384.362 3.734 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001474646318 1074497470 /nfs/dbraw/zinc/49/74/70/1074497470.db2.gz YGFSBPAHTFDQTQ-IPMKNSEASA-N 2 1 377.573 3.534 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001495638913 1079425532 /nfs/dbraw/zinc/42/55/32/1079425532.db2.gz IFUJEVYXTDFLRH-PMACEKPBSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCCC[NH+]1CC ZINC001495638913 1079425536 /nfs/dbraw/zinc/42/55/36/1079425536.db2.gz IFUJEVYXTDFLRH-PMACEKPBSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCCC[NH+]1CC ZINC001495638913 1079425537 /nfs/dbraw/zinc/42/55/37/1079425537.db2.gz IFUJEVYXTDFLRH-PMACEKPBSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826330847 609251941 /nfs/dbraw/zinc/25/19/41/609251941.db2.gz KMBDQZDPIAPLGT-OAHLLOKOSA-N 2 1 385.475 3.701 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[NH+](CC(C)C)CC2)n1 ZINC001164657567 719337103 /nfs/dbraw/zinc/33/71/03/719337103.db2.gz RYHTVZDYDBKFPC-UHFFFAOYSA-N 2 1 389.613 3.928 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C)c(C)[nH+]1)CC2 ZINC001164718561 720112309 /nfs/dbraw/zinc/11/23/09/720112309.db2.gz SHTDQJHHBSDILA-OAQYLSRUSA-N 2 1 380.536 3.601 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000431773753 837424270 /nfs/dbraw/zinc/42/42/70/837424270.db2.gz CDBOPTIPBHVNPJ-DEOSSOPVSA-N 2 1 393.575 3.847 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1C ZINC000613537254 837454197 /nfs/dbraw/zinc/45/41/97/837454197.db2.gz INTDZUVDMUXKDD-DLBZAZTESA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1C ZINC000613537254 837454209 /nfs/dbraw/zinc/45/42/09/837454209.db2.gz INTDZUVDMUXKDD-DLBZAZTESA-N 2 1 385.581 3.943 20 0 GHADMP C[C@@H]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000471386726 837461590 /nfs/dbraw/zinc/46/15/90/837461590.db2.gz WLICDVHUWQHLDY-OAQYLSRUSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@@H]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471386726 837461595 /nfs/dbraw/zinc/46/15/95/837461595.db2.gz WLICDVHUWQHLDY-OAQYLSRUSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@@H]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471386726 837461604 /nfs/dbraw/zinc/46/16/04/837461604.db2.gz WLICDVHUWQHLDY-OAQYLSRUSA-N 2 1 391.559 3.558 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2C)cc1 ZINC000647543419 837472591 /nfs/dbraw/zinc/47/25/91/837472591.db2.gz NBEHECQTERDZNX-VXKWHMMOSA-N 2 1 396.579 3.768 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000647545212 837478767 /nfs/dbraw/zinc/47/87/67/837478767.db2.gz SEXGZOQSLKCYKX-FQEVSTJZSA-N 2 1 384.495 3.592 20 0 GHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431783798 837490743 /nfs/dbraw/zinc/49/07/43/837490743.db2.gz IZDJENKQKQCCNO-NRFANRHFSA-N 2 1 389.609 3.873 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000176917460 837596002 /nfs/dbraw/zinc/59/60/02/837596002.db2.gz BEPYVWMZJCGQIG-NRSPTQNISA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000176917460 837596006 /nfs/dbraw/zinc/59/60/06/837596006.db2.gz BEPYVWMZJCGQIG-NRSPTQNISA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COCc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000176917460 837596011 /nfs/dbraw/zinc/59/60/11/837596011.db2.gz BEPYVWMZJCGQIG-NRSPTQNISA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COCc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000176917460 837596017 /nfs/dbraw/zinc/59/60/17/837596017.db2.gz BEPYVWMZJCGQIG-NRSPTQNISA-N 2 1 388.577 3.611 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655690602 837610413 /nfs/dbraw/zinc/61/04/13/837610413.db2.gz FPATVOBWFFKLHL-XMMPIXPASA-N 3 1 385.596 3.652 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655690602 837610417 /nfs/dbraw/zinc/61/04/17/837610417.db2.gz FPATVOBWFFKLHL-XMMPIXPASA-N 2 1 385.596 3.652 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000655690145 837680270 /nfs/dbraw/zinc/68/02/70/837680270.db2.gz XKXQTYBZJAYFFL-GBXCKJPGSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690145 837680275 /nfs/dbraw/zinc/68/02/75/837680275.db2.gz XKXQTYBZJAYFFL-GBXCKJPGSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690145 837680281 /nfs/dbraw/zinc/68/02/81/837680281.db2.gz XKXQTYBZJAYFFL-GBXCKJPGSA-N 3 1 385.596 3.794 20 0 GHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000655710781 837704580 /nfs/dbraw/zinc/70/45/80/837704580.db2.gz FFJDTOZFUPNQEV-GOTSBHOMSA-N 2 1 391.559 3.778 20 0 GHADMP COCCSc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655708699 837714775 /nfs/dbraw/zinc/71/47/75/837714775.db2.gz MBKBQZYVAUMJAC-XLIONFOSSA-N 2 1 378.582 3.719 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655723208 837741588 /nfs/dbraw/zinc/74/15/88/837741588.db2.gz LJJRLRLAZIRCKP-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655723208 837741598 /nfs/dbraw/zinc/74/15/98/837741598.db2.gz LJJRLRLAZIRCKP-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(-c2cc3ccccc3o2)n1 ZINC000650705993 834529794 /nfs/dbraw/zinc/52/97/94/834529794.db2.gz BNMDAYFNEJMWNM-FBBABVLZSA-N 2 1 394.519 3.552 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1cccc(Br)c1 ZINC000650707592 834545315 /nfs/dbraw/zinc/54/53/15/834545315.db2.gz JBXONQXCXFTTKV-XIVBQZFQSA-N 2 1 381.358 3.771 20 0 GHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCc1cccs1 ZINC000647334127 834593986 /nfs/dbraw/zinc/59/39/86/834593986.db2.gz GGZKXRLGYOBYCC-IIZPIQPGSA-N 2 1 397.588 3.928 20 0 GHADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCc1cccs1 ZINC000647334127 834593994 /nfs/dbraw/zinc/59/39/94/834593994.db2.gz GGZKXRLGYOBYCC-IIZPIQPGSA-N 2 1 397.588 3.928 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CC3CC3)c3ccccc3)CC2)CC1 ZINC000654833285 834642536 /nfs/dbraw/zinc/64/25/36/834642536.db2.gz DMBXPVASMJOENS-HSZRJFAPSA-N 2 1 383.580 3.840 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000728571081 834682717 /nfs/dbraw/zinc/68/27/17/834682717.db2.gz BFZJVWNPXHNQIK-UHFFFAOYSA-N 2 1 385.524 3.992 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000728571081 834682722 /nfs/dbraw/zinc/68/27/22/834682722.db2.gz BFZJVWNPXHNQIK-UHFFFAOYSA-N 2 1 385.524 3.992 20 0 GHADMP CN(c1ccccc1C[N@@H+](CCCO)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000093102149 834696970 /nfs/dbraw/zinc/69/69/70/834696970.db2.gz RUSFVMFFFXBFSH-UHFFFAOYSA-N 2 1 381.564 3.602 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1OCC(C)C ZINC000650721918 834698356 /nfs/dbraw/zinc/69/83/56/834698356.db2.gz FUPUUPXVNWEDJA-TUNNFDKTSA-N 2 1 390.568 3.981 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000650723559 834702872 /nfs/dbraw/zinc/70/28/72/834702872.db2.gz QGRHRQWHYCXGCU-OIBXWCBGSA-N 2 1 381.520 3.521 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000093844265 834707106 /nfs/dbraw/zinc/70/71/06/834707106.db2.gz WMSJARJNXWPAOR-CALCHBBNSA-N 2 1 388.581 3.850 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000510052386 834716083 /nfs/dbraw/zinc/71/60/83/834716083.db2.gz ADZNBDPCKONVEX-HNNXBMFYSA-N 2 1 387.355 3.873 20 0 GHADMP Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cn2cc[nH+]c12 ZINC000583608509 834750944 /nfs/dbraw/zinc/75/09/44/834750944.db2.gz ZYBPLOFKAMRFNP-UHFFFAOYSA-N 2 1 377.492 3.737 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000728572271 834772086 /nfs/dbraw/zinc/77/20/86/834772086.db2.gz WDHSVLJSNVORAY-LJQANCHMSA-N 2 1 386.584 3.666 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000683162481 834833718 /nfs/dbraw/zinc/83/37/18/834833718.db2.gz GMVDAQHWFBQJKE-UHFFFAOYSA-N 2 1 386.511 3.947 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000519934056 834840077 /nfs/dbraw/zinc/84/00/77/834840077.db2.gz FXQATFUAFWRHLL-JOCHJYFZSA-N 2 1 388.600 3.694 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511265744 834906389 /nfs/dbraw/zinc/90/63/89/834906389.db2.gz BSBAYSCANGALIA-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511265744 834906391 /nfs/dbraw/zinc/90/63/91/834906391.db2.gz BSBAYSCANGALIA-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511265744 834906396 /nfs/dbraw/zinc/90/63/96/834906396.db2.gz BSBAYSCANGALIA-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511265744 834906401 /nfs/dbraw/zinc/90/64/01/834906401.db2.gz BSBAYSCANGALIA-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)CC1)CC(C)C ZINC000685462659 835029006 /nfs/dbraw/zinc/02/90/06/835029006.db2.gz SAYQFOVFOHTMIP-UHFFFAOYSA-N 2 1 395.613 3.638 20 0 GHADMP CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000685467832 835033491 /nfs/dbraw/zinc/03/34/91/835033491.db2.gz FGEUMRUQMPNMMR-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP C[NH+](C)CCOc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000685467832 835033499 /nfs/dbraw/zinc/03/34/99/835033499.db2.gz FGEUMRUQMPNMMR-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000527298948 835063496 /nfs/dbraw/zinc/06/34/96/835063496.db2.gz KGYDRBDRACAVTR-IFEVLTCRSA-N 2 1 392.971 3.943 20 0 GHADMP O=C1C[C@H](c2cccc(F)c2)CN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000728196115 835095575 /nfs/dbraw/zinc/09/55/75/835095575.db2.gz PTRHEWBHMRPJBP-NRFANRHFSA-N 2 1 387.543 3.687 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779673 835130713 /nfs/dbraw/zinc/13/07/13/835130713.db2.gz MOXZCHPFSUEGBI-VQTJNVASSA-N 2 1 395.551 3.716 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779673 835130716 /nfs/dbraw/zinc/13/07/16/835130716.db2.gz MOXZCHPFSUEGBI-VQTJNVASSA-N 2 1 395.551 3.716 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779673 835130721 /nfs/dbraw/zinc/13/07/21/835130721.db2.gz MOXZCHPFSUEGBI-VQTJNVASSA-N 2 1 395.551 3.716 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779673 835130726 /nfs/dbraw/zinc/13/07/26/835130726.db2.gz MOXZCHPFSUEGBI-VQTJNVASSA-N 2 1 395.551 3.716 20 0 GHADMP C[C@@H](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC[NH2+]CC1 ZINC000370762895 835160628 /nfs/dbraw/zinc/16/06/28/835160628.db2.gz CNHVDGHUPKXTQT-RDPSFJRHSA-N 2 1 383.580 3.527 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000536164686 835263824 /nfs/dbraw/zinc/26/38/24/835263824.db2.gz UUXRNQKMWGSGDJ-RHSMWYFYSA-N 2 1 396.441 3.915 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C(C)C)c(O)cc3C)CC2)CC1 ZINC000583943949 835275049 /nfs/dbraw/zinc/27/50/49/835275049.db2.gz YEIMQKUVACVNFY-UHFFFAOYSA-N 2 1 387.568 3.959 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c2)cc1 ZINC000093644057 835346835 /nfs/dbraw/zinc/34/68/35/835346835.db2.gz KLCKMPPORZMENC-DYESRHJHSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c2)cc1 ZINC000093644057 835346841 /nfs/dbraw/zinc/34/68/41/835346841.db2.gz KLCKMPPORZMENC-DYESRHJHSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)cc1 ZINC000093644057 835346846 /nfs/dbraw/zinc/34/68/46/835346846.db2.gz KLCKMPPORZMENC-DYESRHJHSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)cc1 ZINC000093644057 835346852 /nfs/dbraw/zinc/34/68/52/835346852.db2.gz KLCKMPPORZMENC-DYESRHJHSA-N 2 1 381.520 3.862 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309757449 835352056 /nfs/dbraw/zinc/35/20/56/835352056.db2.gz XGUQPVUXTNQFLK-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@@H](c1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000433358449 844049289 /nfs/dbraw/zinc/04/92/89/844049289.db2.gz BCVWEXLPSFYTHY-PGRDOPGGSA-N 2 1 381.520 3.711 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nc(C(F)(F)F)cs1 ZINC000658135045 835443965 /nfs/dbraw/zinc/44/39/65/835443965.db2.gz CWYDGHPLLDJZTP-DOMZBBRYSA-N 2 1 385.455 3.579 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nc(C(F)(F)F)cs1 ZINC000658135045 835443968 /nfs/dbraw/zinc/44/39/68/835443968.db2.gz CWYDGHPLLDJZTP-DOMZBBRYSA-N 2 1 385.455 3.579 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ncc(-c2ccccc2)n1C ZINC000658135446 835445245 /nfs/dbraw/zinc/44/52/45/835445245.db2.gz DUSMUJFLNDNRJD-AVRDEDQJSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ncc(-c2ccccc2)n1C ZINC000658135446 835445247 /nfs/dbraw/zinc/44/52/47/835445247.db2.gz DUSMUJFLNDNRJD-AVRDEDQJSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137768 835462518 /nfs/dbraw/zinc/46/25/18/835462518.db2.gz IHSVWNJOMMNRBT-KXBFYZLASA-N 2 1 376.447 3.705 20 0 GHADMP CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000150726631 835986313 /nfs/dbraw/zinc/98/63/13/835986313.db2.gz ZOGMQGZKGPETNO-HXUWFJFHSA-N 2 1 375.557 3.748 20 0 GHADMP CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000150726631 835986322 /nfs/dbraw/zinc/98/63/22/835986322.db2.gz ZOGMQGZKGPETNO-HXUWFJFHSA-N 2 1 375.557 3.748 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000448240793 836095722 /nfs/dbraw/zinc/09/57/22/836095722.db2.gz MQFAXZORQQQNBY-ISKFKSNPSA-N 2 1 377.532 3.591 20 0 GHADMP C(CC[NH+]1CCCC2(CCOCC2)C1)CC[N@H+]1CCCC2(CCOCC2)C1 ZINC000375900473 836152063 /nfs/dbraw/zinc/15/20/63/836152063.db2.gz GYXRHRIJTLHZNK-UHFFFAOYSA-N 2 1 378.601 3.942 20 0 GHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000612407640 836175359 /nfs/dbraw/zinc/17/53/59/836175359.db2.gz WJITZGUMIPNKSE-CTNGQTDRSA-N 2 1 396.531 3.801 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079756324 836209042 /nfs/dbraw/zinc/20/90/42/836209042.db2.gz CKRXIQQIUFEJME-DDRJZQQSSA-N 2 1 383.580 3.812 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000513052679 844158236 /nfs/dbraw/zinc/15/82/36/844158236.db2.gz VMUXAKWPUYQQCA-FQEVSTJZSA-N 2 1 384.593 3.973 20 0 GHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000170780197 836667533 /nfs/dbraw/zinc/66/75/33/836667533.db2.gz RDPWNYQFONWZJO-ROUUACIJSA-N 2 1 388.552 3.609 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000471276885 836794521 /nfs/dbraw/zinc/79/45/21/836794521.db2.gz KRPKPUCDBTUARN-WIYYLYMNSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000471276885 836794526 /nfs/dbraw/zinc/79/45/26/836794526.db2.gz KRPKPUCDBTUARN-WIYYLYMNSA-N 2 1 385.939 3.581 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000175391101 836812619 /nfs/dbraw/zinc/81/26/19/836812619.db2.gz DMNVGUUZHQIIAJ-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP CC[C@H]1C[N@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497842 837053523 /nfs/dbraw/zinc/05/35/23/837053523.db2.gz XRSIELWMSQGKIA-PMACEKPBSA-N 2 1 384.520 3.842 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497842 837053534 /nfs/dbraw/zinc/05/35/34/837053534.db2.gz XRSIELWMSQGKIA-PMACEKPBSA-N 2 1 384.520 3.842 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828133 837169545 /nfs/dbraw/zinc/16/95/45/837169545.db2.gz HQJUGZMXOCLZOH-OFNKIYASSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828133 837169552 /nfs/dbraw/zinc/16/95/52/837169552.db2.gz HQJUGZMXOCLZOH-OFNKIYASSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828133 837169560 /nfs/dbraw/zinc/16/95/60/837169560.db2.gz HQJUGZMXOCLZOH-OFNKIYASSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000664107977 844245749 /nfs/dbraw/zinc/24/57/49/844245749.db2.gz RRDMLBGMNRPFNI-QUCCMNQESA-N 2 1 386.584 3.537 20 0 GHADMP C[NH+]1CCC(CCO)([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000655791053 837907934 /nfs/dbraw/zinc/90/79/34/837907934.db2.gz YEGQFAGJLGQWSG-UHFFFAOYSA-N 2 1 377.532 3.626 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000177359340 837920839 /nfs/dbraw/zinc/92/08/39/837920839.db2.gz MUEKYQSBULDCNO-OJAHFUOMSA-N 2 1 377.573 3.629 20 0 GHADMP Cc1ccc(CNC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535676070 844281652 /nfs/dbraw/zinc/28/16/52/844281652.db2.gz NMAFGYCFVPQLNM-UHFFFAOYSA-N 2 1 391.559 3.599 20 0 GHADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579953606 838017168 /nfs/dbraw/zinc/01/71/68/838017168.db2.gz XTNHKEBEWAOBAS-UEVCKROQSA-N 2 1 391.559 3.602 20 0 GHADMP CNC(=O)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000535675059 844296783 /nfs/dbraw/zinc/29/67/83/844296783.db2.gz JHEQEDJSEDBTQL-UHFFFAOYSA-N 2 1 377.532 3.534 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000052209740 844304802 /nfs/dbraw/zinc/30/48/02/844304802.db2.gz OCSWRINZVVALFU-SFHVURJKSA-N 2 1 377.548 3.789 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000415944052 838296588 /nfs/dbraw/zinc/29/65/88/838296588.db2.gz NQFQVHKDVPXSDP-XMMPIXPASA-N 2 1 392.547 3.926 20 0 GHADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000415950407 838305047 /nfs/dbraw/zinc/30/50/47/838305047.db2.gz DHHYGLUYJHNJSI-UHFFFAOYSA-N 2 1 388.531 3.591 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415963889 838323484 /nfs/dbraw/zinc/32/34/84/838323484.db2.gz WLAXYGOENCGCCU-DLBZAZTESA-N 2 1 388.531 3.590 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC000415974062 838332665 /nfs/dbraw/zinc/33/26/65/838332665.db2.gz RBVZMXKJNWHVAO-QGZVFWFLSA-N 2 1 392.425 3.560 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000415997343 838375315 /nfs/dbraw/zinc/37/53/15/838375315.db2.gz PDWNQUOFLITFSD-DEOSSOPVSA-N 2 1 390.531 3.810 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000656010038 838448964 /nfs/dbraw/zinc/44/89/64/838448964.db2.gz LQUGOUHPUIPBIB-NRFANRHFSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000168507729 838538759 /nfs/dbraw/zinc/53/87/59/838538759.db2.gz WWBZHFJHYXGIKS-OIBXWCBGSA-N 2 1 379.548 3.978 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000180524866 838602718 /nfs/dbraw/zinc/60/27/18/838602718.db2.gz MWFGKFDOUIXHSL-ZWKOTPCHSA-N 2 1 388.515 3.805 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000549405472 838692284 /nfs/dbraw/zinc/69/22/84/838692284.db2.gz SPHZRSZJQYKFCX-UWJYYQICSA-N 2 1 375.532 3.540 20 0 GHADMP CCOC(=O)[C@H](CC(C)C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000181000093 838696537 /nfs/dbraw/zinc/69/65/37/838696537.db2.gz YZBAJOPIQHUVJQ-NRFANRHFSA-N 2 1 375.557 3.854 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)C2)C1 ZINC000458132400 844366937 /nfs/dbraw/zinc/36/69/37/844366937.db2.gz KNUQRRMNEXVIKS-DEOSSOPVSA-N 2 1 398.595 3.690 20 0 GHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549414666 838839041 /nfs/dbraw/zinc/83/90/41/838839041.db2.gz DQEYLLBUGAABJD-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000189051420 839062048 /nfs/dbraw/zinc/06/20/48/839062048.db2.gz UDHYBRCGHAGUFR-OPAMFIHVSA-N 2 1 392.478 3.772 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734879 839185196 /nfs/dbraw/zinc/18/51/96/839185196.db2.gz IYUAZTAZQLDYAC-APWZRJJASA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734879 839185202 /nfs/dbraw/zinc/18/52/02/839185202.db2.gz IYUAZTAZQLDYAC-APWZRJJASA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734879 839185209 /nfs/dbraw/zinc/18/52/09/839185209.db2.gz IYUAZTAZQLDYAC-APWZRJJASA-N 2 1 385.474 3.545 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)cc3Cl)CC2)C1 ZINC000415116494 839227149 /nfs/dbraw/zinc/22/71/49/839227149.db2.gz BMHWOZPOVMXTAM-NVXWUHKLSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])CCN(Cc4ccccc4)CC3)CC2)C1 ZINC000415125366 839248255 /nfs/dbraw/zinc/24/82/55/839248255.db2.gz DOZFQZPHIZDJEX-ZJSXRUAMSA-N 2 1 398.639 3.613 20 0 GHADMP Fc1cccc(C[N@H+]2CCC[C@H](c3nc(-c4ccn5c[nH+]cc5c4)no3)C2)c1 ZINC000584569916 839295086 /nfs/dbraw/zinc/29/50/86/839295086.db2.gz HTZWGHWHXJNAFV-KRWDZBQOSA-N 2 1 377.423 3.903 20 0 GHADMP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000510328921 839577274 /nfs/dbraw/zinc/57/72/74/839577274.db2.gz HYPCMWCXQVBSII-QGZVFWFLSA-N 2 1 391.515 3.671 20 0 GHADMP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000510328921 839577278 /nfs/dbraw/zinc/57/72/78/839577278.db2.gz HYPCMWCXQVBSII-QGZVFWFLSA-N 2 1 391.515 3.671 20 0 GHADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1OC ZINC000580551924 839795185 /nfs/dbraw/zinc/79/51/85/839795185.db2.gz BYNPVRQTWKLZRO-CGTJXYLNSA-N 2 1 387.549 3.777 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1OC ZINC000580551924 839795190 /nfs/dbraw/zinc/79/51/90/839795190.db2.gz BYNPVRQTWKLZRO-CGTJXYLNSA-N 2 1 387.549 3.777 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000656251923 839801860 /nfs/dbraw/zinc/80/18/60/839801860.db2.gz PTYCMZZKRRYGGE-UHFFFAOYSA-N 2 1 391.357 3.717 20 0 GHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)c2C1 ZINC000535797499 844473024 /nfs/dbraw/zinc/47/30/24/844473024.db2.gz FVMJMZRHPNRGFB-OAQYLSRUSA-N 2 1 392.547 3.904 20 0 GHADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)c2C1 ZINC000535797499 844473028 /nfs/dbraw/zinc/47/30/28/844473028.db2.gz FVMJMZRHPNRGFB-OAQYLSRUSA-N 2 1 392.547 3.904 20 0 GHADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)c2C1 ZINC000535797499 844473033 /nfs/dbraw/zinc/47/30/33/844473033.db2.gz FVMJMZRHPNRGFB-OAQYLSRUSA-N 2 1 392.547 3.904 20 0 GHADMP c1c2ccccc2[nH]c1CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000684021465 839992511 /nfs/dbraw/zinc/99/25/11/839992511.db2.gz VIBHBRDNTFQZMW-FQEVSTJZSA-N 2 1 389.547 3.597 20 0 GHADMP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCCC(C)C ZINC000535805153 844502044 /nfs/dbraw/zinc/50/20/44/844502044.db2.gz LEAQNCGCUAQDLL-KCZVDYSFSA-N 2 1 390.568 3.804 20 0 GHADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCCC(C)C ZINC000535805153 844502045 /nfs/dbraw/zinc/50/20/45/844502045.db2.gz LEAQNCGCUAQDLL-KCZVDYSFSA-N 2 1 390.568 3.804 20 0 GHADMP C[C@H](CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473010262 840100788 /nfs/dbraw/zinc/10/07/88/840100788.db2.gz OOKIPEPCJWOUAY-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000535806010 844503623 /nfs/dbraw/zinc/50/36/23/844503623.db2.gz AJBWZBIAAVBLMM-FGCOXFRFSA-N 2 1 390.531 3.709 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126433523 840226115 /nfs/dbraw/zinc/22/61/15/840226115.db2.gz ZAKRVUCLSUPYFP-TZUVLKIQSA-N 2 1 394.357 3.771 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126433523 840226125 /nfs/dbraw/zinc/22/61/25/840226125.db2.gz ZAKRVUCLSUPYFP-TZUVLKIQSA-N 2 1 394.357 3.771 20 0 GHADMP C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000759859381 840230697 /nfs/dbraw/zinc/23/06/97/840230697.db2.gz ROEXTKJCKTUJHU-UTKZUKDTSA-N 2 1 376.903 3.966 20 0 GHADMP C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000759859381 840230708 /nfs/dbraw/zinc/23/07/08/840230708.db2.gz ROEXTKJCKTUJHU-UTKZUKDTSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000759859381 840230718 /nfs/dbraw/zinc/23/07/18/840230718.db2.gz ROEXTKJCKTUJHU-UTKZUKDTSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000759859381 840230725 /nfs/dbraw/zinc/23/07/25/840230725.db2.gz ROEXTKJCKTUJHU-UTKZUKDTSA-N 2 1 376.903 3.966 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000580834672 840309392 /nfs/dbraw/zinc/30/93/92/840309392.db2.gz QTPHAGQQPSOJCA-BWPNAZKDSA-N 2 1 379.504 3.865 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000580834672 840309404 /nfs/dbraw/zinc/30/94/04/840309404.db2.gz QTPHAGQQPSOJCA-BWPNAZKDSA-N 2 1 379.504 3.865 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418495555 840320908 /nfs/dbraw/zinc/32/09/08/840320908.db2.gz BIMLPVCMKKLSCF-QHCPKHFHSA-N 2 1 396.579 3.993 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC4(CC[NH2+]CC4)CC3)cc2)C1 ZINC000416974069 840330872 /nfs/dbraw/zinc/33/08/72/840330872.db2.gz WDIXAFWCXVTVDZ-FQEVSTJZSA-N 2 1 398.595 3.594 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)CCN1Cc1ccccc1 ZINC000581092175 840683002 /nfs/dbraw/zinc/68/30/02/840683002.db2.gz XUVAEYYUQYCTDL-FGCOXFRFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000581092175 840683006 /nfs/dbraw/zinc/68/30/06/840683006.db2.gz XUVAEYYUQYCTDL-FGCOXFRFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CCCC2=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000581092175 840683010 /nfs/dbraw/zinc/68/30/10/840683010.db2.gz XUVAEYYUQYCTDL-FGCOXFRFSA-N 2 1 391.559 3.993 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(Cc2cscn2)CC1 ZINC000093016207 840855124 /nfs/dbraw/zinc/85/51/24/840855124.db2.gz FYGMKQANAFVXDH-UHFFFAOYSA-N 2 1 386.609 3.809 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(Cc2cscn2)CC1 ZINC000093016207 840855137 /nfs/dbraw/zinc/85/51/37/840855137.db2.gz FYGMKQANAFVXDH-UHFFFAOYSA-N 2 1 386.609 3.809 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016207 840855146 /nfs/dbraw/zinc/85/51/46/840855146.db2.gz FYGMKQANAFVXDH-UHFFFAOYSA-N 2 1 386.609 3.809 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016207 840855167 /nfs/dbraw/zinc/85/51/67/840855167.db2.gz FYGMKQANAFVXDH-UHFFFAOYSA-N 2 1 386.609 3.809 20 0 GHADMP [NH3+]CCCOC1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430542873 840927593 /nfs/dbraw/zinc/92/75/93/840927593.db2.gz LBJAKPKYCNYDAL-NRFANRHFSA-N 2 1 392.503 3.656 20 0 GHADMP [NH3+][C@@H](c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656455687 840978576 /nfs/dbraw/zinc/97/85/76/840978576.db2.gz MXIQBKVCNFUKKX-OXJNMPFZSA-N 2 1 385.874 3.566 20 0 GHADMP [NH3+][C@@H](c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1F ZINC000656455687 840978588 /nfs/dbraw/zinc/97/85/88/840978588.db2.gz MXIQBKVCNFUKKX-OXJNMPFZSA-N 2 1 385.874 3.566 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000312593517 841209184 /nfs/dbraw/zinc/20/91/84/841209184.db2.gz DVPNTIWEBKPWPU-YLJYHZDGSA-N 2 1 378.438 3.851 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001167458821 841273825 /nfs/dbraw/zinc/27/38/25/841273825.db2.gz YQSZTRXYIPQTQH-HXUWFJFHSA-N 2 1 379.589 3.831 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000511647440 841318326 /nfs/dbraw/zinc/31/83/26/841318326.db2.gz JWVZDNLTXLNMOA-JOCHJYFZSA-N 2 1 387.612 3.855 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000511647440 841318334 /nfs/dbraw/zinc/31/83/34/841318334.db2.gz JWVZDNLTXLNMOA-JOCHJYFZSA-N 2 1 387.612 3.855 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CCCC1)c1ccccc1 ZINC000662730387 841508856 /nfs/dbraw/zinc/50/88/56/841508856.db2.gz YLTXUPPXPNZEEU-FOIQADDNSA-N 2 1 387.474 3.744 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Cc1cccc(Cl)c1 ZINC000581484183 841528058 /nfs/dbraw/zinc/52/80/58/841528058.db2.gz WWZVJFPXCILTHB-IEBWSBKVSA-N 2 1 378.969 3.807 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1cccc(Cl)c1 ZINC000581484183 841528066 /nfs/dbraw/zinc/52/80/66/841528066.db2.gz WWZVJFPXCILTHB-IEBWSBKVSA-N 2 1 378.969 3.807 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(C[NH2+]CC)CC1)c1ccc(Cl)cc1 ZINC000418186031 841621338 /nfs/dbraw/zinc/62/13/38/841621338.db2.gz RKGKPLBXCSFGQF-HXUWFJFHSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662797008 841648794 /nfs/dbraw/zinc/64/87/94/841648794.db2.gz FNWQOSKQAGHDHL-YADHBBJMSA-N 2 1 399.485 3.564 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662797008 841648800 /nfs/dbraw/zinc/64/88/00/841648800.db2.gz FNWQOSKQAGHDHL-YADHBBJMSA-N 2 1 399.485 3.564 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418239398 841679412 /nfs/dbraw/zinc/67/94/12/841679412.db2.gz OVKQOYZEGMMZIG-DENIHFKCSA-N 2 1 394.563 3.808 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000581579809 841714426 /nfs/dbraw/zinc/71/44/26/841714426.db2.gz QVEOLAVFNFXLLG-XBMIPHDJSA-N 2 1 380.479 3.875 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000581579809 841714432 /nfs/dbraw/zinc/71/44/32/841714432.db2.gz QVEOLAVFNFXLLG-XBMIPHDJSA-N 2 1 380.479 3.875 20 0 GHADMP Cc1nn2c(C[NH2+]CC[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000500249549 841732096 /nfs/dbraw/zinc/73/20/96/841732096.db2.gz KYDAZOAKKGRBFM-HNAYVOBHSA-N 2 1 383.565 3.798 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001167825172 842037733 /nfs/dbraw/zinc/03/77/33/842037733.db2.gz GRQUPJJZEYVRBT-INIZCTEOSA-N 2 1 387.494 3.518 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001167827038 842064000 /nfs/dbraw/zinc/06/40/00/842064000.db2.gz RRIVQMKRKWEIJC-YOUFYPILSA-N 2 1 395.613 3.650 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCO1 ZINC000432369602 842221610 /nfs/dbraw/zinc/22/16/10/842221610.db2.gz QZFVXWOVTMXAQM-CQSZACIVSA-N 2 1 385.335 3.860 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCO1 ZINC000432369602 842221615 /nfs/dbraw/zinc/22/16/15/842221615.db2.gz QZFVXWOVTMXAQM-CQSZACIVSA-N 2 1 385.335 3.860 20 0 GHADMP Cc1ccc(Nc2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000652348785 842327648 /nfs/dbraw/zinc/32/76/48/842327648.db2.gz RABOAOMZUTWUAI-ZWOKBUDYSA-N 2 1 386.565 3.913 20 0 GHADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000652358760 842361218 /nfs/dbraw/zinc/36/12/18/842361218.db2.gz XDCBVFNJGZAMIG-UHFFFAOYSA-N 2 1 397.363 3.724 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2c(c1)CCCC2 ZINC000430674785 842451937 /nfs/dbraw/zinc/45/19/37/842451937.db2.gz KJQRXQQGESBKGF-UHFFFAOYSA-N 2 1 397.607 3.834 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000512099368 842486157 /nfs/dbraw/zinc/48/61/57/842486157.db2.gz MUDUMZMTBZGIFH-QZTJIDSGSA-N 2 1 386.609 3.972 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047871489 842611381 /nfs/dbraw/zinc/61/13/81/842611381.db2.gz KYINEDJYCBVICM-OAQYLSRUSA-N 2 1 398.551 3.756 20 0 GHADMP Cc1cc(C(F)(F)F)cc(NCc2ccccc2C[NH+]2CCC(O)CC2)[nH+]1 ZINC000663672469 842641225 /nfs/dbraw/zinc/64/12/25/842641225.db2.gz ZNHNOOBKHZWFJD-UHFFFAOYSA-N 2 1 379.426 3.978 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000248453009 842682502 /nfs/dbraw/zinc/68/25/02/842682502.db2.gz QDYKJRDLYOPFPE-UPVQGACJSA-N 2 1 380.532 3.893 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000673667004 861334679 /nfs/dbraw/zinc/33/46/79/861334679.db2.gz MLCQRAJLZNLFOC-OALUTQOASA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000673667004 861334701 /nfs/dbraw/zinc/33/47/01/861334701.db2.gz MLCQRAJLZNLFOC-OALUTQOASA-N 2 1 397.485 3.689 20 0 GHADMP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000249601039 842722985 /nfs/dbraw/zinc/72/29/85/842722985.db2.gz QMOBXZJJVWMTKB-NZQKXSOJSA-N 2 1 380.532 3.819 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000471851067 842845146 /nfs/dbraw/zinc/84/51/46/842845146.db2.gz OTFRRIWPIYWJMI-KNQAVFIVSA-N 2 1 383.511 3.826 20 0 GHADMP C[C@@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000673671153 861358674 /nfs/dbraw/zinc/35/86/74/861358674.db2.gz UXXWCHMHOUWVHF-HXUWFJFHSA-N 2 1 379.548 3.535 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)[C@H]1C ZINC000662224604 842959678 /nfs/dbraw/zinc/95/96/78/842959678.db2.gz PIRDAQZLOZHHFE-KIHHCIJBSA-N 2 1 392.676 3.907 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)[C@@H]1C ZINC000662224604 842959688 /nfs/dbraw/zinc/95/96/88/842959688.db2.gz PIRDAQZLOZHHFE-KIHHCIJBSA-N 2 1 392.676 3.907 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)[C@@H]1C ZINC000662224604 842959699 /nfs/dbraw/zinc/95/96/99/842959699.db2.gz PIRDAQZLOZHHFE-KIHHCIJBSA-N 2 1 392.676 3.907 20 0 GHADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000662251629 843018603 /nfs/dbraw/zinc/01/86/03/843018603.db2.gz GUILAJPELOISBL-UXHICEINSA-N 2 1 377.315 3.729 20 0 GHADMP Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC001167492975 843061128 /nfs/dbraw/zinc/06/11/28/843061128.db2.gz VFKDREWPWLQVGI-VXNXHJTFSA-N 2 1 393.575 3.982 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291252 843081861 /nfs/dbraw/zinc/08/18/61/843081861.db2.gz QKONZRWOHOACLQ-RDJZCZTQSA-N 2 1 393.959 3.696 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000555598387 861382150 /nfs/dbraw/zinc/38/21/50/861382150.db2.gz RSRDPTDDARNNGO-LJQANCHMSA-N 2 1 381.358 3.808 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000555598387 861382165 /nfs/dbraw/zinc/38/21/65/861382165.db2.gz RSRDPTDDARNNGO-LJQANCHMSA-N 2 1 381.358 3.808 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000555598387 861382177 /nfs/dbraw/zinc/38/21/77/861382177.db2.gz RSRDPTDDARNNGO-LJQANCHMSA-N 2 1 381.358 3.808 20 0 GHADMP Cc1ccccc1OCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327675 843155994 /nfs/dbraw/zinc/15/59/94/843155994.db2.gz KUDJMJKBIKBBAL-UHFFFAOYSA-N 2 1 382.552 3.834 20 0 GHADMP c1cc(-c2nc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)[nH]n4)CC3)cs2)co1 ZINC000662327996 843156171 /nfs/dbraw/zinc/15/61/71/843156171.db2.gz XKKQUQSKHRCZMA-UHFFFAOYSA-N 2 1 397.548 3.973 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662382090 843179876 /nfs/dbraw/zinc/17/98/76/843179876.db2.gz MAEQIHAIEYOKMP-QFIPXVFZSA-N 2 1 391.559 3.722 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)cc21 ZINC000662397742 843194015 /nfs/dbraw/zinc/19/40/15/843194015.db2.gz KSZOBWIHNFIAEY-QFIPXVFZSA-N 2 1 383.580 3.793 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000430944839 843228358 /nfs/dbraw/zinc/22/83/58/843228358.db2.gz UZIAZULKAMTPPK-UHFFFAOYSA-N 3 1 394.003 3.847 20 0 GHADMP C[N@H+](CCOc1ccc(Cl)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430944839 843228365 /nfs/dbraw/zinc/22/83/65/843228365.db2.gz UZIAZULKAMTPPK-UHFFFAOYSA-N 3 1 394.003 3.847 20 0 GHADMP C[N@@H+](CCOc1ccc(Cl)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430944839 843228376 /nfs/dbraw/zinc/22/83/76/843228376.db2.gz UZIAZULKAMTPPK-UHFFFAOYSA-N 3 1 394.003 3.847 20 0 GHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000430965459 843279840 /nfs/dbraw/zinc/27/98/40/843279840.db2.gz JRMQELUORBPOIF-GOSISDBHSA-N 2 1 376.504 3.589 20 0 GHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000430965459 843279853 /nfs/dbraw/zinc/27/98/53/843279853.db2.gz JRMQELUORBPOIF-GOSISDBHSA-N 2 1 376.504 3.589 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000178705891 861398947 /nfs/dbraw/zinc/39/89/47/861398947.db2.gz COWZPOFWIDSOHQ-STQMWFEESA-N 2 1 383.277 3.783 20 0 GHADMP CCC[N@H+](CCOc1ccc(OC)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512281583 843312876 /nfs/dbraw/zinc/31/28/76/843312876.db2.gz RDENHUPDKMMWEU-UHFFFAOYSA-N 2 1 398.551 3.862 20 0 GHADMP CCC[N@@H+](CCOc1ccc(OC)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512281583 843312890 /nfs/dbraw/zinc/31/28/90/843312890.db2.gz RDENHUPDKMMWEU-UHFFFAOYSA-N 2 1 398.551 3.862 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Cc1ccc(F)cc1 ZINC000663368643 843330560 /nfs/dbraw/zinc/33/05/60/843330560.db2.gz LWFQWBHRKNQSJP-JTHBVZDNSA-N 2 1 382.523 3.621 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503881 843349087 /nfs/dbraw/zinc/34/90/87/843349087.db2.gz XPQNUIUKCAKXGS-OEMFJLHTSA-N 2 1 389.543 3.734 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000165298014 843357075 /nfs/dbraw/zinc/35/70/75/843357075.db2.gz IJOLCHHKJZWWAY-FPOVZHCZSA-N 2 1 393.531 3.858 20 0 GHADMP C[NH+](C)CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066931712 843371178 /nfs/dbraw/zinc/37/11/78/843371178.db2.gz ZVDMHPFWRSIJEI-UHFFFAOYSA-N 2 1 386.367 3.806 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000555611866 861415688 /nfs/dbraw/zinc/41/56/88/861415688.db2.gz FGIQVNBNKYXBSA-QFIPXVFZSA-N 2 1 380.532 3.714 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000636840468 843516866 /nfs/dbraw/zinc/51/68/66/843516866.db2.gz NVXVXLUILVTMRZ-IEBWSBKVSA-N 2 1 392.613 3.647 20 0 GHADMP Cc1nccn1CCCCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509731777 843671077 /nfs/dbraw/zinc/67/10/77/843671077.db2.gz WQYDSOLYKDXBGH-DENIHFKCSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509731777 843671081 /nfs/dbraw/zinc/67/10/81/843671081.db2.gz WQYDSOLYKDXBGH-DENIHFKCSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509731777 843671083 /nfs/dbraw/zinc/67/10/83/843671083.db2.gz WQYDSOLYKDXBGH-DENIHFKCSA-N 2 1 397.567 3.572 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCc2ccccc21 ZINC000433194024 843809562 /nfs/dbraw/zinc/80/95/62/843809562.db2.gz UHKADGLQEQCGQS-UHFFFAOYSA-N 2 1 389.543 3.564 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[C@@H]1c1ccccc1 ZINC000536233662 843915256 /nfs/dbraw/zinc/91/52/56/843915256.db2.gz QLIDVWAGQDCTEA-PUHATCMVSA-N 2 1 398.595 3.729 20 0 GHADMP Fc1cccc(CCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512477900 843962144 /nfs/dbraw/zinc/96/21/44/843962144.db2.gz ALYMRWXWAIQVHS-XMMPIXPASA-N 2 1 381.539 3.650 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCN(c4ccccc4)C3)CC2)cc1 ZINC000152529281 844850312 /nfs/dbraw/zinc/85/03/12/844850312.db2.gz CZJMYOAXNCQFCQ-OAQYLSRUSA-N 2 1 381.539 3.949 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512647789 844879301 /nfs/dbraw/zinc/87/93/01/844879301.db2.gz JNMDOAGDEZIVND-KMDXXIMOSA-N 2 1 391.559 3.827 20 0 GHADMP Oc1cc(F)cc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549867937 844956648 /nfs/dbraw/zinc/95/66/48/844956648.db2.gz ITZCTICSZWGRKS-FQEVSTJZSA-N 2 1 384.495 3.550 20 0 GHADMP Oc1cc(F)cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549867937 844956654 /nfs/dbraw/zinc/95/66/54/844956654.db2.gz ITZCTICSZWGRKS-FQEVSTJZSA-N 2 1 384.495 3.550 20 0 GHADMP Oc1cc(F)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549867937 844956670 /nfs/dbraw/zinc/95/66/70/844956670.db2.gz ITZCTICSZWGRKS-FQEVSTJZSA-N 2 1 384.495 3.550 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000663927417 844998344 /nfs/dbraw/zinc/99/83/44/844998344.db2.gz SQXBYOFMAKYARG-DEOSSOPVSA-N 2 1 375.516 3.768 20 0 GHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(OC4CCOCC4)c3)CC2)C1 ZINC000513214537 845059850 /nfs/dbraw/zinc/05/98/50/845059850.db2.gz YTNHEMLQOHJDPV-GHTZIAJQSA-N 2 1 387.568 3.772 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000150907113 845078209 /nfs/dbraw/zinc/07/82/09/845078209.db2.gz DYWAAXHOFUPMCY-GIVPXCGWSA-N 2 1 384.593 3.780 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000150907113 845078216 /nfs/dbraw/zinc/07/82/16/845078216.db2.gz DYWAAXHOFUPMCY-GIVPXCGWSA-N 2 1 384.593 3.780 20 0 GHADMP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388320 861558775 /nfs/dbraw/zinc/55/87/75/861558775.db2.gz FSMDXVMBCLNSLA-LJQANCHMSA-N 2 1 392.547 3.598 20 0 GHADMP CSc1cccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179388219 861559527 /nfs/dbraw/zinc/55/95/27/861559527.db2.gz ZQJWXJFDOGPSBP-UHFFFAOYSA-N 2 1 398.576 3.981 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(-c2ccccc2)n1 ZINC000179391312 861561662 /nfs/dbraw/zinc/56/16/62/861561662.db2.gz KYOSLIWKQHKBGE-UHFFFAOYSA-N 2 1 377.492 3.870 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(-c2ccccc2)n1 ZINC000179391312 861561669 /nfs/dbraw/zinc/56/16/69/861561669.db2.gz KYOSLIWKQHKBGE-UHFFFAOYSA-N 2 1 377.492 3.870 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000513488687 845521536 /nfs/dbraw/zinc/52/15/36/845521536.db2.gz ZIXYKBALCTUAAR-GMAHTHKFSA-N 2 1 393.575 3.914 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H](C)C1 ZINC000249300405 845532801 /nfs/dbraw/zinc/53/28/01/845532801.db2.gz NKQIHRULUSSMOK-JTSKRJEESA-N 2 1 398.547 3.508 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@@H](C)C1 ZINC000249300405 845532811 /nfs/dbraw/zinc/53/28/11/845532811.db2.gz NKQIHRULUSSMOK-JTSKRJEESA-N 2 1 398.547 3.508 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000513488386 845539746 /nfs/dbraw/zinc/53/97/46/845539746.db2.gz UCKZBMYKCBVRAW-TZIWHRDSSA-N 2 1 385.596 3.914 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCSc4ccccc43)c2)C1 ZINC000156904363 845762301 /nfs/dbraw/zinc/76/23/01/845762301.db2.gz GZGWJCAMKKJXBZ-PZJWPPBQSA-N 2 1 395.572 3.711 20 0 GHADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000563212172 845946123 /nfs/dbraw/zinc/94/61/23/845946123.db2.gz USMUPRUUPZIGNN-ICSRJNTNSA-N 2 1 387.549 3.537 20 0 GHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167533942 846089245 /nfs/dbraw/zinc/08/92/45/846089245.db2.gz OIZUJKCUBRHENV-ZPMCFJSWSA-N 2 1 383.511 3.628 20 0 GHADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167533942 846089251 /nfs/dbraw/zinc/08/92/51/846089251.db2.gz OIZUJKCUBRHENV-ZPMCFJSWSA-N 2 1 383.511 3.628 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472144163 846159769 /nfs/dbraw/zinc/15/97/69/846159769.db2.gz MZYFVNIMDVWDOM-OALUTQOASA-N 2 1 385.552 3.551 20 0 GHADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1O ZINC000513609396 846166906 /nfs/dbraw/zinc/16/69/06/846166906.db2.gz RRWNXYYYEISKEN-HDICACEKSA-N 2 1 384.520 3.690 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OC)c4ccccc34)CC2)CC1 ZINC000421376912 846189211 /nfs/dbraw/zinc/18/92/11/846189211.db2.gz RGENCRHJJRHJEP-UHFFFAOYSA-N 2 1 381.564 3.840 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(OC)ccc4ccccc43)CC2)CC1 ZINC000421380843 846190487 /nfs/dbraw/zinc/19/04/87/846190487.db2.gz WHPQLRQIFAIODM-UHFFFAOYSA-N 2 1 381.564 3.840 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000421382477 846198679 /nfs/dbraw/zinc/19/86/79/846198679.db2.gz XSKBWSKPMJOEIF-UHFFFAOYSA-N 2 1 381.967 3.904 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000513647193 846212440 /nfs/dbraw/zinc/21/24/40/846212440.db2.gz FQGCQHPFWDEYPA-HNNXBMFYSA-N 2 1 376.495 3.979 20 0 GHADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513678421 846225012 /nfs/dbraw/zinc/22/50/12/846225012.db2.gz MYSXPXBGJGRTKT-KMDXXIMOSA-N 2 1 391.559 3.827 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000157862908 846226100 /nfs/dbraw/zinc/22/61/00/846226100.db2.gz IPQRGRFKZHPODQ-OALUTQOASA-N 2 1 393.597 3.532 20 0 GHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000280085935 846285411 /nfs/dbraw/zinc/28/54/11/846285411.db2.gz YTUQBCHOOXVRFU-HOTGVXAUSA-N 2 1 380.492 3.875 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000280349776 846370125 /nfs/dbraw/zinc/37/01/25/846370125.db2.gz REIWJYKAAWLOGJ-IAGOWNOFSA-N 2 1 398.551 3.861 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000673767207 861678900 /nfs/dbraw/zinc/67/89/00/861678900.db2.gz DEFMSBIQWPDDMQ-NFBKMPQASA-N 2 1 394.563 3.595 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC000158104211 846476403 /nfs/dbraw/zinc/47/64/03/846476403.db2.gz KFSWFISTCDRVLJ-FCHUYYIVSA-N 2 1 383.580 3.762 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)CC2)CC1 ZINC000502804618 846486757 /nfs/dbraw/zinc/48/67/57/846486757.db2.gz UBFYYCOHAZBCDK-ORFBVSJDSA-N 2 1 390.616 3.593 20 0 GHADMP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000502877770 846564504 /nfs/dbraw/zinc/56/45/04/846564504.db2.gz WTOPZMPJGDYNTQ-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000502877770 846564508 /nfs/dbraw/zinc/56/45/08/846564508.db2.gz WTOPZMPJGDYNTQ-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000501050783 846578485 /nfs/dbraw/zinc/57/84/85/846578485.db2.gz HFBOGAWTZJZFSN-VQIMIIECSA-N 2 1 383.374 3.984 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000502948597 846645433 /nfs/dbraw/zinc/64/54/33/846645433.db2.gz CKXMTPJKBLZQTI-VQTJNVASSA-N 2 1 388.600 3.927 20 0 GHADMP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000502963517 846667472 /nfs/dbraw/zinc/66/74/72/846667472.db2.gz ZNUUANXLMFMIET-PMACEKPBSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CC([N@H+]2CC[C@]3(CCN3c3ncccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044562 861718031 /nfs/dbraw/zinc/71/80/31/861718031.db2.gz FNUJQAOHKGTRHH-REHUZNOOSA-N 2 1 391.563 3.573 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C(F)(F)F ZINC000414426590 846795731 /nfs/dbraw/zinc/79/57/31/846795731.db2.gz HRVOPHLZVYMHEQ-LJQANCHMSA-N 2 1 378.438 3.870 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501663268 847083588 /nfs/dbraw/zinc/08/35/88/847083588.db2.gz AUSQKLSTLHGSRZ-NHCUHLMSSA-N 2 1 397.567 3.744 20 0 GHADMP [NH3+]C[C@@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCCCC1 ZINC000420356951 847137350 /nfs/dbraw/zinc/13/73/50/847137350.db2.gz CZWZJNCPYLWDOH-DENIHFKCSA-N 2 1 385.577 3.841 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420395132 847158521 /nfs/dbraw/zinc/15/85/21/847158521.db2.gz LACCGNJMTDKKGE-PUHATCMVSA-N 2 1 399.579 3.603 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420395132 847158525 /nfs/dbraw/zinc/15/85/25/847158525.db2.gz LACCGNJMTDKKGE-PUHATCMVSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@H](Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272753666 847163518 /nfs/dbraw/zinc/16/35/18/847163518.db2.gz KDCUMNMFJTWBKA-UNMCSNQZSA-N 2 1 393.575 3.966 20 0 GHADMP C[C@H](Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272753662 847163588 /nfs/dbraw/zinc/16/35/88/847163588.db2.gz KDCUMNMFJTWBKA-RBBKRZOGSA-N 2 1 393.575 3.966 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501826595 847215520 /nfs/dbraw/zinc/21/55/20/847215520.db2.gz KAWHMNJKSILNRO-IKLNAOFOSA-N 2 1 386.584 3.630 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000422244124 847488810 /nfs/dbraw/zinc/48/88/10/847488810.db2.gz JSXRIUWXHMWFEJ-QBKZBJQZSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919608 847540249 /nfs/dbraw/zinc/54/02/49/847540249.db2.gz ZNJRSOGLPSKBEQ-QPPBQGQZSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919608 847540259 /nfs/dbraw/zinc/54/02/59/847540259.db2.gz ZNJRSOGLPSKBEQ-QPPBQGQZSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919608 847540266 /nfs/dbraw/zinc/54/02/66/847540266.db2.gz ZNJRSOGLPSKBEQ-QPPBQGQZSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919608 847540269 /nfs/dbraw/zinc/54/02/69/847540269.db2.gz ZNJRSOGLPSKBEQ-QPPBQGQZSA-N 2 1 385.596 3.605 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000420976414 847603310 /nfs/dbraw/zinc/60/33/10/847603310.db2.gz GYTJGMSHJWUXFS-UHFFFAOYSA-N 2 1 386.971 3.880 20 0 GHADMP OCC1([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)CCC1 ZINC000420980271 847606398 /nfs/dbraw/zinc/60/63/98/847606398.db2.gz WIWKUCNKCJWFEB-QHCPKHFHSA-N 2 1 380.532 3.512 20 0 GHADMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503404532 847668424 /nfs/dbraw/zinc/66/84/24/847668424.db2.gz GYJJDYFOABTBAY-ICSRJNTNSA-N 2 1 392.547 3.767 20 0 GHADMP C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503404532 847668427 /nfs/dbraw/zinc/66/84/27/847668427.db2.gz GYJJDYFOABTBAY-ICSRJNTNSA-N 2 1 392.547 3.767 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C(=O)OC)co3)CC2)cs1 ZINC000375720075 847770580 /nfs/dbraw/zinc/77/05/80/847770580.db2.gz PWNWHORVJGZWKX-AWEZNQCLSA-N 2 1 391.537 3.648 20 0 GHADMP COc1ccc([C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422769274 847816159 /nfs/dbraw/zinc/81/61/59/847816159.db2.gz VNWYQVQLRMCQQU-XZOQPEGZSA-N 2 1 398.522 3.965 20 0 GHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422805204 847830418 /nfs/dbraw/zinc/83/04/18/847830418.db2.gz ITDWASJRCVGRAI-ISKFKSNPSA-N 2 1 377.532 3.628 20 0 GHADMP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422862856 847859581 /nfs/dbraw/zinc/85/95/81/847859581.db2.gz QOKYXINPGLKJDU-CZJMCEMMSA-N 2 1 384.568 3.657 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1c[nH+]ccc1N ZINC000422891631 847869840 /nfs/dbraw/zinc/86/98/40/847869840.db2.gz LAKQZJUHQJFNSC-CQSZACIVSA-N 2 1 389.341 3.572 20 0 GHADMP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCCc4cccnc43)CC2)cc1 ZINC000684953095 847880613 /nfs/dbraw/zinc/88/06/13/847880613.db2.gz HJCMYJGXVHURPJ-HSZRJFAPSA-N 2 1 378.564 3.647 20 0 GHADMP CCO[C@@H](C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434260 861875097 /nfs/dbraw/zinc/87/50/97/861875097.db2.gz LGAIBVDFPMFQQG-XPWALMASSA-N 2 1 378.601 3.795 20 0 GHADMP CCO[C@@H](C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434260 861875115 /nfs/dbraw/zinc/87/51/15/861875115.db2.gz LGAIBVDFPMFQQG-XPWALMASSA-N 2 1 378.601 3.795 20 0 GHADMP CCO[C@@H](C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434260 861875135 /nfs/dbraw/zinc/87/51/35/861875135.db2.gz LGAIBVDFPMFQQG-XPWALMASSA-N 2 1 378.601 3.795 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000078503880 848498351 /nfs/dbraw/zinc/49/83/51/848498351.db2.gz VTGNCYQBLAFHLR-NRFANRHFSA-N 2 1 386.584 3.911 20 0 GHADMP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000604170995 861923662 /nfs/dbraw/zinc/92/36/62/861923662.db2.gz HVKIGDZJZLEGCJ-RZUBCFFCSA-N 2 1 386.584 3.776 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000472272994 848747962 /nfs/dbraw/zinc/74/79/62/848747962.db2.gz HQDNSTGNCWNRIP-VQTJNVASSA-N 2 1 389.584 3.878 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000472272994 848747965 /nfs/dbraw/zinc/74/79/65/848747965.db2.gz HQDNSTGNCWNRIP-VQTJNVASSA-N 2 1 389.584 3.878 20 0 GHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000481658570 861964072 /nfs/dbraw/zinc/96/40/72/861964072.db2.gz NSMJBTBLUZPEDN-DYESRHJHSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000481658570 861964084 /nfs/dbraw/zinc/96/40/84/861964084.db2.gz NSMJBTBLUZPEDN-DYESRHJHSA-N 2 1 392.465 3.863 20 0 GHADMP C[NH+](C)CCCOc1cnccc1CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000673852025 861967737 /nfs/dbraw/zinc/96/77/37/861967737.db2.gz RLDKDBYUYMLOFJ-QFIPXVFZSA-N 2 1 396.579 3.555 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000673852025 861967744 /nfs/dbraw/zinc/96/77/44/861967744.db2.gz RLDKDBYUYMLOFJ-QFIPXVFZSA-N 2 1 396.579 3.555 20 0 GHADMP CCCCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H](C)c1ccc(C)o1 ZINC000604208754 861993548 /nfs/dbraw/zinc/99/35/48/861993548.db2.gz MNCXPEYLDGLTGU-RTBURBONSA-N 2 1 390.572 3.629 20 0 GHADMP CCCCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)c1ccc(C)o1 ZINC000604208754 861993558 /nfs/dbraw/zinc/99/35/58/861993558.db2.gz MNCXPEYLDGLTGU-RTBURBONSA-N 2 1 390.572 3.629 20 0 GHADMP COC(=O)c1cccc(OCC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001167659677 849324109 /nfs/dbraw/zinc/32/41/09/849324109.db2.gz TYCGUCPTGZFKNW-LJQANCHMSA-N 2 1 388.552 3.829 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583231571 849389147 /nfs/dbraw/zinc/38/91/47/849389147.db2.gz NOSWDUCTCABQHC-OEGBSJBASA-N 2 1 386.486 3.683 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000583231571 849389158 /nfs/dbraw/zinc/38/91/58/849389158.db2.gz NOSWDUCTCABQHC-OEGBSJBASA-N 2 1 386.486 3.683 20 0 GHADMP CC(C)(CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000583373074 849737236 /nfs/dbraw/zinc/73/72/36/849737236.db2.gz XKVAFGNSQSIEMO-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H](C[C@H]1COCCN1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423098939 849743086 /nfs/dbraw/zinc/74/30/86/849743086.db2.gz DLZGHAKLZCQMMI-OBFGGOEXSA-N 2 1 391.987 3.611 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCNCc4cccnc4)[C@H]3C2)cc1 ZINC000423186611 849776580 /nfs/dbraw/zinc/77/65/80/849776580.db2.gz LEQCKPIPRQSIEI-SDHOMARFSA-N 2 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000423186611 849776584 /nfs/dbraw/zinc/77/65/84/849776584.db2.gz LEQCKPIPRQSIEI-SDHOMARFSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000423186611 849776591 /nfs/dbraw/zinc/77/65/91/849776591.db2.gz LEQCKPIPRQSIEI-SDHOMARFSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000423186611 849776595 /nfs/dbraw/zinc/77/65/95/849776595.db2.gz LEQCKPIPRQSIEI-SDHOMARFSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000423186611 849776600 /nfs/dbraw/zinc/77/66/00/849776600.db2.gz LEQCKPIPRQSIEI-SDHOMARFSA-N 3 1 392.591 3.842 20 0 GHADMP Brc1ccccc1C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C1CC1 ZINC000423189877 849797935 /nfs/dbraw/zinc/79/79/35/849797935.db2.gz QEBZRNAPWOVOEK-HXUWFJFHSA-N 2 1 388.353 3.935 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s2)cc1OC ZINC000423267308 849843657 /nfs/dbraw/zinc/84/36/57/849843657.db2.gz FFGQGPSSRGCDKW-CJNGLKHVSA-N 2 1 377.554 3.693 20 0 GHADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423507399 849948107 /nfs/dbraw/zinc/94/81/07/849948107.db2.gz JUGADIJKHQMKBV-OOEPIQFGSA-N 2 1 393.575 3.785 20 0 GHADMP [NH3+]C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000423521137 849966222 /nfs/dbraw/zinc/96/62/22/849966222.db2.gz FUYRMUBLHIULOR-UAZRVLJHSA-N 2 1 379.592 3.925 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)cc1)C[C@H]1CCCCO1 ZINC000486832990 850137163 /nfs/dbraw/zinc/13/71/63/850137163.db2.gz JSBDKKNHUXCKKZ-STZQEDGTSA-N 2 1 387.568 3.602 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc1)C[C@H]1CCCCO1 ZINC000486832990 850137174 /nfs/dbraw/zinc/13/71/74/850137174.db2.gz JSBDKKNHUXCKKZ-STZQEDGTSA-N 2 1 387.568 3.602 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1)C[C@H]1CCCCO1 ZINC000486832990 850137184 /nfs/dbraw/zinc/13/71/84/850137184.db2.gz JSBDKKNHUXCKKZ-STZQEDGTSA-N 2 1 387.568 3.602 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424294396 850338425 /nfs/dbraw/zinc/33/84/25/850338425.db2.gz QCLHCKKIJOJYPC-NFBKMPQASA-N 2 1 391.559 3.551 20 0 GHADMP COc1ccc2c(c1)CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000439773270 850378952 /nfs/dbraw/zinc/37/89/52/850378952.db2.gz IEEYSICZAKBVET-UHFFFAOYSA-N 2 1 393.575 3.826 20 0 GHADMP COC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCCC1 ZINC000514878474 850400754 /nfs/dbraw/zinc/40/07/54/850400754.db2.gz RTWZESWBLYVTAJ-JOCHJYFZSA-N 2 1 386.580 3.854 20 0 GHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435379892 850445746 /nfs/dbraw/zinc/44/57/46/850445746.db2.gz LBMPDWLGCKXEDX-NQIIRXRSSA-N 2 1 375.520 3.553 20 0 GHADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506695367 850470499 /nfs/dbraw/zinc/47/04/99/850470499.db2.gz GZVFYTXFIRVKCV-NHCUHLMSSA-N 2 1 380.621 3.795 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@@H]3C)CC2)CC1 ZINC000569708657 850486586 /nfs/dbraw/zinc/48/65/86/850486586.db2.gz VNMLSESVQZQVPA-NMMYMHLASA-N 2 1 397.607 3.976 20 0 GHADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000435448643 850537128 /nfs/dbraw/zinc/53/71/28/850537128.db2.gz YTTXEUPYRUFFOD-HXUWFJFHSA-N 2 1 384.520 3.857 20 0 GHADMP COc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1OCc1ccccc1 ZINC000648071660 862150245 /nfs/dbraw/zinc/15/02/45/862150245.db2.gz NLWASSWRDBFUJG-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1OCc1ccccc1 ZINC000648071660 862150251 /nfs/dbraw/zinc/15/02/51/862150251.db2.gz NLWASSWRDBFUJG-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000515054376 850631719 /nfs/dbraw/zinc/63/17/19/850631719.db2.gz FVHYSVCKKRACFG-MGPUTAFESA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000515054376 850631727 /nfs/dbraw/zinc/63/17/27/850631727.db2.gz FVHYSVCKKRACFG-MGPUTAFESA-N 2 1 375.513 3.889 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c(Br)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000487552313 850719445 /nfs/dbraw/zinc/71/94/45/850719445.db2.gz PUZRRCSFPUTORY-DOTOQJQBSA-N 2 1 391.357 3.573 20 0 GHADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000515237573 850825025 /nfs/dbraw/zinc/82/50/25/850825025.db2.gz BXNBWKAGWRGVTQ-QFIPXVFZSA-N 2 1 396.579 3.657 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000519286216 850864735 /nfs/dbraw/zinc/86/47/35/850864735.db2.gz YOKFVBXGNGKCMZ-DEOSSOPVSA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000519286216 850864743 /nfs/dbraw/zinc/86/47/43/850864743.db2.gz YOKFVBXGNGKCMZ-DEOSSOPVSA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000519286216 850864747 /nfs/dbraw/zinc/86/47/47/850864747.db2.gz YOKFVBXGNGKCMZ-DEOSSOPVSA-N 2 1 391.559 3.519 20 0 GHADMP [NH3+]C1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCCCC1 ZINC000414839137 850927414 /nfs/dbraw/zinc/92/74/14/850927414.db2.gz IZZWBCAUTLSURS-UHFFFAOYSA-N 2 1 375.520 3.745 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000515353350 850939713 /nfs/dbraw/zinc/93/97/13/850939713.db2.gz MNPRVLZOYGGFEH-QGZVFWFLSA-N 2 1 394.991 3.724 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440262252 850975541 /nfs/dbraw/zinc/97/55/41/850975541.db2.gz WMPHNJIDOJFHTD-UKILVPOCSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440262252 850975550 /nfs/dbraw/zinc/97/55/50/850975550.db2.gz WMPHNJIDOJFHTD-UKILVPOCSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000440262252 850975562 /nfs/dbraw/zinc/97/55/62/850975562.db2.gz WMPHNJIDOJFHTD-UKILVPOCSA-N 2 1 395.591 3.908 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000515414083 850996629 /nfs/dbraw/zinc/99/66/29/850996629.db2.gz AMIOWFSNNHSBAR-PGRDOPGGSA-N 2 1 379.504 3.524 20 0 GHADMP CC(C)C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000519399639 851005195 /nfs/dbraw/zinc/00/51/95/851005195.db2.gz YPUOIIVFNFQRPN-PKTZIBPZSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000519399639 851005201 /nfs/dbraw/zinc/00/52/01/851005201.db2.gz YPUOIIVFNFQRPN-PKTZIBPZSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000488147040 851204281 /nfs/dbraw/zinc/20/42/81/851204281.db2.gz YNVQJEROFKCDQH-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000514063745 851205306 /nfs/dbraw/zinc/20/53/06/851205306.db2.gz HCUHCOAMFJVLEU-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)c2)C1 ZINC000436226542 851339597 /nfs/dbraw/zinc/33/95/97/851339597.db2.gz IVLRVMCXXIMVNT-WXFUMESZSA-N 2 1 391.559 3.810 20 0 GHADMP CN(c1ccccc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000668844779 851413954 /nfs/dbraw/zinc/41/39/54/851413954.db2.gz QWUFGDUCDUNRCF-UHFFFAOYSA-N 2 1 381.568 3.525 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccsc1 ZINC000514224894 851418890 /nfs/dbraw/zinc/41/88/90/851418890.db2.gz IRVZHZZNHODTAI-LJQANCHMSA-N 2 1 380.602 3.695 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)cc2)CC1 ZINC000436294583 851429182 /nfs/dbraw/zinc/42/91/82/851429182.db2.gz XPLHCVWORAAKFK-UPVQGACJSA-N 2 1 391.559 3.575 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000488415895 851476099 /nfs/dbraw/zinc/47/60/99/851476099.db2.gz ABKDTQSQCQZSBD-QGZVFWFLSA-N 2 1 375.582 3.568 20 0 GHADMP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683819 851491115 /nfs/dbraw/zinc/49/11/15/851491115.db2.gz INUDRDGUDMXOMT-ROUUACIJSA-N 2 1 392.547 3.765 20 0 GHADMP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488454036 851505426 /nfs/dbraw/zinc/50/54/26/851505426.db2.gz YQFOPWCXMHHMCD-OAHLLOKOSA-N 2 1 394.357 3.584 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973496 851637320 /nfs/dbraw/zinc/63/73/20/851637320.db2.gz LWQNTARJSFLHHR-MAYZUUGSSA-N 2 1 375.557 3.522 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000475035096 862280458 /nfs/dbraw/zinc/28/04/58/862280458.db2.gz UOLDEFJWLUORGP-GOTSBHOMSA-N 2 1 377.532 3.557 20 0 GHADMP COCCOc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000515929901 851953715 /nfs/dbraw/zinc/95/37/15/851953715.db2.gz NYZMHVJXYNIUJF-JTHBVZDNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000515929901 851953727 /nfs/dbraw/zinc/95/37/27/851953727.db2.gz NYZMHVJXYNIUJF-JTHBVZDNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000515929901 851953730 /nfs/dbraw/zinc/95/37/30/851953730.db2.gz NYZMHVJXYNIUJF-JTHBVZDNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000515929901 851953740 /nfs/dbraw/zinc/95/37/40/851953740.db2.gz NYZMHVJXYNIUJF-JTHBVZDNSA-N 2 1 380.532 3.666 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000438071702 851986820 /nfs/dbraw/zinc/98/68/20/851986820.db2.gz HHTVAYQGXXHZPI-FCHUYYIVSA-N 2 1 394.515 3.769 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000438071702 851986834 /nfs/dbraw/zinc/98/68/34/851986834.db2.gz HHTVAYQGXXHZPI-FCHUYYIVSA-N 2 1 394.515 3.769 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000517546329 852100985 /nfs/dbraw/zinc/10/09/85/852100985.db2.gz PYPBXXQYAFZCHX-UEVCKROQSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000517546329 852100990 /nfs/dbraw/zinc/10/09/90/852100990.db2.gz PYPBXXQYAFZCHX-UEVCKROQSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000517546329 852100995 /nfs/dbraw/zinc/10/09/95/852100995.db2.gz PYPBXXQYAFZCHX-UEVCKROQSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000517546329 852101001 /nfs/dbraw/zinc/10/10/01/852101001.db2.gz PYPBXXQYAFZCHX-UEVCKROQSA-N 2 1 392.547 3.520 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517544777 852101125 /nfs/dbraw/zinc/10/11/25/852101125.db2.gz PDMGCSNKZCUFCX-DENIHFKCSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517544777 852101132 /nfs/dbraw/zinc/10/11/32/852101132.db2.gz PDMGCSNKZCUFCX-DENIHFKCSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517544777 852101140 /nfs/dbraw/zinc/10/11/40/852101140.db2.gz PDMGCSNKZCUFCX-DENIHFKCSA-N 2 1 386.584 3.584 20 0 GHADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000425959267 852122135 /nfs/dbraw/zinc/12/21/35/852122135.db2.gz JLMCYTBIWBMDIM-KDURUIRLSA-N 2 1 376.479 3.672 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000425959267 852122140 /nfs/dbraw/zinc/12/21/40/852122140.db2.gz JLMCYTBIWBMDIM-KDURUIRLSA-N 2 1 376.479 3.672 20 0 GHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000425959267 852122148 /nfs/dbraw/zinc/12/21/48/852122148.db2.gz JLMCYTBIWBMDIM-KDURUIRLSA-N 2 1 376.479 3.672 20 0 GHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C[C@@H]2C1 ZINC000425959267 852122158 /nfs/dbraw/zinc/12/21/58/852122158.db2.gz JLMCYTBIWBMDIM-KDURUIRLSA-N 2 1 376.479 3.672 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261123 852257999 /nfs/dbraw/zinc/25/79/99/852257999.db2.gz ALSRTUUCDFCGEM-GOTSBHOMSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261123 852258005 /nfs/dbraw/zinc/25/80/05/852258005.db2.gz ALSRTUUCDFCGEM-GOTSBHOMSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1)C1CC1 ZINC000536261123 852258010 /nfs/dbraw/zinc/25/80/10/852258010.db2.gz ALSRTUUCDFCGEM-GOTSBHOMSA-N 2 1 377.532 3.846 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000516206911 852288247 /nfs/dbraw/zinc/28/82/47/852288247.db2.gz GIRMBUKJWFHJGS-UHFFFAOYSA-N 2 1 396.878 3.999 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+](C)Cc1ccccc1 ZINC000517701799 852292530 /nfs/dbraw/zinc/29/25/30/852292530.db2.gz WDNODRIOEAHBEZ-DENIHFKCSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+](C)Cc1ccccc1 ZINC000517701799 852292535 /nfs/dbraw/zinc/29/25/35/852292535.db2.gz WDNODRIOEAHBEZ-DENIHFKCSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000517701799 852292539 /nfs/dbraw/zinc/29/25/39/852292539.db2.gz WDNODRIOEAHBEZ-DENIHFKCSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000506921251 852338243 /nfs/dbraw/zinc/33/82/43/852338243.db2.gz HRZPDOOCGFEZPL-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000506921251 852338251 /nfs/dbraw/zinc/33/82/51/852338251.db2.gz HRZPDOOCGFEZPL-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000506921251 852338261 /nfs/dbraw/zinc/33/82/61/852338261.db2.gz HRZPDOOCGFEZPL-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000489448422 852364323 /nfs/dbraw/zinc/36/43/23/852364323.db2.gz RRKCKFWFLPGOMS-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000489448422 852364328 /nfs/dbraw/zinc/36/43/28/852364328.db2.gz RRKCKFWFLPGOMS-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000489448422 852364330 /nfs/dbraw/zinc/36/43/30/852364330.db2.gz RRKCKFWFLPGOMS-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000506938049 852367562 /nfs/dbraw/zinc/36/75/62/852367562.db2.gz CGKZIBUIORZPMA-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167961298 852388898 /nfs/dbraw/zinc/38/88/98/852388898.db2.gz HPJCKJRGPLRZMX-XUBOLADHSA-N 2 1 377.573 3.771 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000489524747 852409330 /nfs/dbraw/zinc/40/93/30/852409330.db2.gz WGYTWUJAKVFXCB-HXUWFJFHSA-N 2 1 390.572 3.662 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000489661609 852514479 /nfs/dbraw/zinc/51/44/79/852514479.db2.gz XWGNOVPMOCWHHT-UHFFFAOYSA-N 2 1 393.560 3.944 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000489661609 852514490 /nfs/dbraw/zinc/51/44/90/852514490.db2.gz XWGNOVPMOCWHHT-UHFFFAOYSA-N 2 1 393.560 3.944 20 0 GHADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414935423 852580001 /nfs/dbraw/zinc/58/00/01/852580001.db2.gz GBDXVAMGIMSIKG-KDOFPFPSSA-N 2 1 390.325 3.511 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000489767583 852595777 /nfs/dbraw/zinc/59/57/77/852595777.db2.gz CBXJJQOHOMXUBX-CQOQZXRMSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000489856178 852611205 /nfs/dbraw/zinc/61/12/05/852611205.db2.gz WGVYWLZXDWXVSW-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000489857263 852611401 /nfs/dbraw/zinc/61/14/01/852611401.db2.gz QRQCMYFOPSBINV-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000489857263 852611407 /nfs/dbraw/zinc/61/14/07/852611407.db2.gz QRQCMYFOPSBINV-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000489857263 852611410 /nfs/dbraw/zinc/61/14/10/852611410.db2.gz QRQCMYFOPSBINV-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000437084972 852736168 /nfs/dbraw/zinc/73/61/68/852736168.db2.gz YLGZBYMLBVRPLW-GTAWCEEGSA-N 2 1 384.486 3.970 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)CC12CCOCC2 ZINC000516649870 852840501 /nfs/dbraw/zinc/84/05/01/852840501.db2.gz AMCLEOMRALPIGK-INIZCTEOSA-N 2 1 376.447 3.629 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000507393048 852855730 /nfs/dbraw/zinc/85/57/30/852855730.db2.gz VSYROSZZOWZTPC-MOPGFXCFSA-N 2 1 392.613 3.552 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000427282611 852932778 /nfs/dbraw/zinc/93/27/78/852932778.db2.gz UXFAQUPCVQGIAA-HNNXBMFYSA-N 2 1 398.378 3.854 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000506018107 852963852 /nfs/dbraw/zinc/96/38/52/852963852.db2.gz YICSVOLYNYDOBA-UHFFFAOYSA-N 2 1 379.548 3.576 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000638568859 853116040 /nfs/dbraw/zinc/11/60/40/853116040.db2.gz WEQSUXAJDWPZMA-KKSFZXQISA-N 2 1 385.531 3.503 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506054996 853176977 /nfs/dbraw/zinc/17/69/77/853176977.db2.gz GMERDLPBHYMELH-QUCCMNQESA-N 2 1 393.522 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506054996 853176984 /nfs/dbraw/zinc/17/69/84/853176984.db2.gz GMERDLPBHYMELH-QUCCMNQESA-N 2 1 393.522 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506054996 853176989 /nfs/dbraw/zinc/17/69/89/853176989.db2.gz GMERDLPBHYMELH-QUCCMNQESA-N 2 1 393.522 3.525 20 0 GHADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CCCCC1 ZINC000507690838 853182801 /nfs/dbraw/zinc/18/28/01/853182801.db2.gz CPBQCOMBZCXYPL-UHFFFAOYSA-N 2 1 375.582 3.686 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000518291485 853185595 /nfs/dbraw/zinc/18/55/95/853185595.db2.gz SUNRCYOGMQCGJZ-SIKLNZKXSA-N 2 1 394.563 3.539 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000518363584 853250853 /nfs/dbraw/zinc/25/08/53/853250853.db2.gz ZMTIEUFDLIDMKI-XXBNENTESA-N 2 1 388.600 3.837 20 0 GHADMP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000519661873 853370799 /nfs/dbraw/zinc/37/07/99/853370799.db2.gz MQQQDPNNLKPCID-UHFFFAOYSA-N 2 1 397.538 3.950 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000508453826 862457330 /nfs/dbraw/zinc/45/73/30/862457330.db2.gz WDPOHZTZGAWIQG-RTBURBONSA-N 2 1 389.584 3.536 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000508453826 862457342 /nfs/dbraw/zinc/45/73/42/862457342.db2.gz WDPOHZTZGAWIQG-RTBURBONSA-N 2 1 389.584 3.536 20 0 GHADMP [NH3+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000517142592 853432726 /nfs/dbraw/zinc/43/27/26/853432726.db2.gz SDWZUXHZVOTYLI-OAQYLSRUSA-N 2 1 394.563 3.871 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000669121696 853433607 /nfs/dbraw/zinc/43/36/07/853433607.db2.gz WKQBZJYEFWAUSO-GOSISDBHSA-N 2 1 392.547 3.521 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167962253 853470336 /nfs/dbraw/zinc/47/03/36/853470336.db2.gz VTKNAMMNZIKHOT-UPFVCRHRSA-N 2 1 389.584 3.771 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473885665 853499267 /nfs/dbraw/zinc/49/92/67/853499267.db2.gz OCCQUYDXUUPHBD-HMXCVIKNSA-N 2 1 398.551 3.749 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473885665 853499274 /nfs/dbraw/zinc/49/92/74/853499274.db2.gz OCCQUYDXUUPHBD-HMXCVIKNSA-N 2 1 398.551 3.749 20 0 GHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(Br)c1 ZINC000604774458 862471623 /nfs/dbraw/zinc/47/16/23/862471623.db2.gz WFPPXARNJWAGEY-CJNGLKHVSA-N 2 1 384.362 3.732 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604777782 862473523 /nfs/dbraw/zinc/47/35/23/862473523.db2.gz BPRKHULSSLBRPL-FQEVSTJZSA-N 2 1 376.589 3.692 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000439374325 853588823 /nfs/dbraw/zinc/58/88/23/853588823.db2.gz DPYIVEWKRLLZQP-PKTZIBPZSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000570931520 853675838 /nfs/dbraw/zinc/67/58/38/853675838.db2.gz TWZJVQBMYGNXSL-XIVBQZFQSA-N 2 1 397.485 3.593 20 0 GHADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)C2 ZINC000425935572 853703099 /nfs/dbraw/zinc/70/30/99/853703099.db2.gz JBCXUADUVQRKAW-PGRDOPGGSA-N 2 1 380.532 3.563 20 0 GHADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)C2 ZINC000425935572 853703106 /nfs/dbraw/zinc/70/31/06/853703106.db2.gz JBCXUADUVQRKAW-PGRDOPGGSA-N 2 1 380.532 3.563 20 0 GHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000519974162 853703693 /nfs/dbraw/zinc/70/36/93/853703693.db2.gz HZQZIPAJGFDFAQ-LJQANCHMSA-N 2 1 388.600 3.981 20 0 GHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000414999483 853710754 /nfs/dbraw/zinc/71/07/54/853710754.db2.gz JCRNTACUWGYNKK-GGAORHGYSA-N 2 1 378.495 3.553 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000518754455 853719413 /nfs/dbraw/zinc/71/94/13/853719413.db2.gz MQVPRMYKRLSBMN-UHFFFAOYSA-N 2 1 385.596 3.917 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000520122918 853873430 /nfs/dbraw/zinc/87/34/30/853873430.db2.gz ILMIUIVFWRMBQH-CVDCTZTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000520122918 853873434 /nfs/dbraw/zinc/87/34/34/853873434.db2.gz ILMIUIVFWRMBQH-CVDCTZTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000571710107 853996788 /nfs/dbraw/zinc/99/67/88/853996788.db2.gz GFHYINGYHVEQFD-XMSQKQJNSA-N 2 1 387.543 3.513 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOC(c1ccccc1)c1ccccc1 ZINC000441238779 854010310 /nfs/dbraw/zinc/01/03/10/854010310.db2.gz UYHPKSHYACWCSH-TZRRMPRUSA-N 2 1 394.559 3.976 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000058467173 862522070 /nfs/dbraw/zinc/52/20/70/862522070.db2.gz LEUTVAKEOUKHED-QHCPKHFHSA-N 2 1 394.563 3.727 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000058467173 862522083 /nfs/dbraw/zinc/52/20/83/862522083.db2.gz LEUTVAKEOUKHED-QHCPKHFHSA-N 2 1 394.563 3.727 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000058467160 862522144 /nfs/dbraw/zinc/52/21/44/862522144.db2.gz INCLPTHSQZEFQC-QHCPKHFHSA-N 2 1 394.563 3.727 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000058467160 862522158 /nfs/dbraw/zinc/52/21/58/862522158.db2.gz INCLPTHSQZEFQC-QHCPKHFHSA-N 2 1 394.563 3.727 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458859751 854225055 /nfs/dbraw/zinc/22/50/55/854225055.db2.gz VHVPNGIWBGSJBA-NHCUHLMSSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112747281 854322784 /nfs/dbraw/zinc/32/27/84/854322784.db2.gz DKSGAJZMZWTCKX-IBGZPJMESA-N 2 1 397.567 3.703 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000572110434 854395453 /nfs/dbraw/zinc/39/54/53/854395453.db2.gz OVSNCMWCYJNDDF-QGZVFWFLSA-N 2 1 381.524 3.512 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1cccs1 ZINC000647977718 854456472 /nfs/dbraw/zinc/45/64/72/854456472.db2.gz GPZGOTZUPOWRTO-FUHIMQAGSA-N 2 1 377.598 3.663 20 0 GHADMP CCSc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000629533020 862569175 /nfs/dbraw/zinc/56/91/75/862569175.db2.gz DCIFTTVZGIKTCK-HNNXBMFYSA-N 2 1 399.398 3.748 20 0 GHADMP CCSc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1 ZINC000629533020 862569184 /nfs/dbraw/zinc/56/91/84/862569184.db2.gz DCIFTTVZGIKTCK-HNNXBMFYSA-N 2 1 399.398 3.748 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000068582555 854600704 /nfs/dbraw/zinc/60/07/04/854600704.db2.gz IYTSQLPNKQXDQH-LJQANCHMSA-N 2 1 392.563 3.554 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CCOCC3)ccc1C[NH+]1CCC2(C1)CCOCC2 ZINC000072899270 854731622 /nfs/dbraw/zinc/73/16/22/854731622.db2.gz CWEHUZDOXLWVHK-UHFFFAOYSA-N 2 1 384.564 3.692 20 0 GHADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536353132 855039701 /nfs/dbraw/zinc/03/97/01/855039701.db2.gz FQXRHCMQTOTTAN-UFYCRDLUSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536353132 855039714 /nfs/dbraw/zinc/03/97/14/855039714.db2.gz FQXRHCMQTOTTAN-UFYCRDLUSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536353132 855039720 /nfs/dbraw/zinc/03/97/20/855039720.db2.gz FQXRHCMQTOTTAN-UFYCRDLUSA-N 2 1 392.975 3.601 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536353132 855039728 /nfs/dbraw/zinc/03/97/28/855039728.db2.gz FQXRHCMQTOTTAN-UFYCRDLUSA-N 2 1 392.975 3.601 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)o2)cc1 ZINC000482017659 862634088 /nfs/dbraw/zinc/63/40/88/862634088.db2.gz OVGDVOCNXJPNLB-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)o2)cc1 ZINC000482017659 862634099 /nfs/dbraw/zinc/63/40/99/862634099.db2.gz OVGDVOCNXJPNLB-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)o2)cc1 ZINC000482017659 862634111 /nfs/dbraw/zinc/63/41/11/862634111.db2.gz OVGDVOCNXJPNLB-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)o2)cc1 ZINC000482017659 862634120 /nfs/dbraw/zinc/63/41/20/862634120.db2.gz OVGDVOCNXJPNLB-GOSISDBHSA-N 2 1 382.504 3.897 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000589605403 855057353 /nfs/dbraw/zinc/05/73/53/855057353.db2.gz AINPXOKYZBWOKE-QFIPXVFZSA-N 2 1 393.575 3.765 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C[C@H](C)c2ccccc2)CC1 ZINC000589605403 855057359 /nfs/dbraw/zinc/05/73/59/855057359.db2.gz AINPXOKYZBWOKE-QFIPXVFZSA-N 2 1 393.575 3.765 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C[C@H](C)c2ccccc2)CC1 ZINC000589605403 855057370 /nfs/dbraw/zinc/05/73/70/855057370.db2.gz AINPXOKYZBWOKE-QFIPXVFZSA-N 2 1 393.575 3.765 20 0 GHADMP C[C@@H](C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000589605796 855057587 /nfs/dbraw/zinc/05/75/87/855057587.db2.gz YDYCDBVOTKDYGJ-FQEVSTJZSA-N 2 1 379.548 3.634 20 0 GHADMP CN1c2ccc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2CCC1=O ZINC000186967278 862642573 /nfs/dbraw/zinc/64/25/73/862642573.db2.gz NBGQYXVMTZIDHX-NRFANRHFSA-N 2 1 377.532 3.550 20 0 GHADMP CN1c2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2CCC1=O ZINC000186967278 862642580 /nfs/dbraw/zinc/64/25/80/862642580.db2.gz NBGQYXVMTZIDHX-NRFANRHFSA-N 2 1 377.532 3.550 20 0 GHADMP CN1c2ccc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000186967278 862642586 /nfs/dbraw/zinc/64/25/86/862642586.db2.gz NBGQYXVMTZIDHX-NRFANRHFSA-N 2 1 377.532 3.550 20 0 GHADMP CN1c2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000186967278 862642595 /nfs/dbraw/zinc/64/25/95/862642595.db2.gz NBGQYXVMTZIDHX-NRFANRHFSA-N 2 1 377.532 3.550 20 0 GHADMP CSc1ccc(OCC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000441475503 855176972 /nfs/dbraw/zinc/17/69/72/855176972.db2.gz QBRJCUBDUXPGTQ-HDICACEKSA-N 2 1 378.582 3.609 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921689331 855379078 /nfs/dbraw/zinc/37/90/78/855379078.db2.gz FNYHRMXYQUWQPQ-QGZVFWFLSA-N 2 1 385.531 3.740 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@@H+]1CCc2sccc2C1 ZINC000455929027 862688165 /nfs/dbraw/zinc/68/81/65/862688165.db2.gz OBRSURYXXGJXRR-FOIQADDNSA-N 2 1 398.576 3.865 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@H+]1CCc2sccc2C1 ZINC000455929027 862688175 /nfs/dbraw/zinc/68/81/75/862688175.db2.gz OBRSURYXXGJXRR-FOIQADDNSA-N 2 1 398.576 3.865 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000056524769 855563287 /nfs/dbraw/zinc/56/32/87/855563287.db2.gz PFQMLKIHTNVZEO-UHFFFAOYSA-N 2 1 393.329 3.663 20 0 GHADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530897 855583918 /nfs/dbraw/zinc/58/39/18/855583918.db2.gz GZFLLGGWNIWGFS-YADHBBJMSA-N 2 1 378.564 3.985 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000590786939 855585807 /nfs/dbraw/zinc/58/58/07/855585807.db2.gz XOIZWBJSWATKBO-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000590786939 855585809 /nfs/dbraw/zinc/58/58/09/855585809.db2.gz XOIZWBJSWATKBO-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000590786878 855585922 /nfs/dbraw/zinc/58/59/22/855585922.db2.gz HMPALDAPRVOHFY-UHFFFAOYSA-N 2 1 383.536 3.762 20 0 GHADMP Cn1c(CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc2ccccc21 ZINC000181020601 862720190 /nfs/dbraw/zinc/72/01/90/862720190.db2.gz QLWNGTSJZLBCLH-UHFFFAOYSA-N 2 1 394.538 3.942 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000282506009 862724255 /nfs/dbraw/zinc/72/42/55/862724255.db2.gz OCBLRBNKJBCLHO-NRFANRHFSA-N 2 1 398.526 3.627 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cc(N)ccc1F ZINC000282506009 862724264 /nfs/dbraw/zinc/72/42/64/862724264.db2.gz OCBLRBNKJBCLHO-NRFANRHFSA-N 2 1 398.526 3.627 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000591429550 855974860 /nfs/dbraw/zinc/97/48/60/855974860.db2.gz VBTTXYWNKXWLTL-CVDCTZTESA-N 2 1 379.548 3.633 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000591452166 855995438 /nfs/dbraw/zinc/99/54/38/855995438.db2.gz XLOAUHRRDLOXGP-WOJBJXKFSA-N 2 1 387.568 3.542 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)cs1 ZINC000921724880 856061595 /nfs/dbraw/zinc/06/15/95/856061595.db2.gz LUZDNFWXJKBXGY-GBESFXJTSA-N 2 1 377.598 3.712 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(Cl)n[nH]c3C3CC3)CC2)oc1C ZINC000921731973 856086517 /nfs/dbraw/zinc/08/65/17/856086517.db2.gz QDLVCSYNQGOKJM-UHFFFAOYSA-N 2 1 377.920 3.547 20 0 GHADMP Brc1cccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573447654 856130533 /nfs/dbraw/zinc/13/05/33/856130533.db2.gz DQWKZTNLMHLILK-HOTGVXAUSA-N 2 1 390.325 3.926 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000591562050 856150494 /nfs/dbraw/zinc/15/04/94/856150494.db2.gz NWNZLEVPFXZDIA-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001168007893 856158077 /nfs/dbraw/zinc/15/80/77/856158077.db2.gz VHSZXXUNFXHFFI-GNBUJSLZSA-N 2 1 375.557 3.931 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591579590 856161619 /nfs/dbraw/zinc/16/16/19/856161619.db2.gz XRFZLFFVLLIHIC-GOTSBHOMSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000905153873 856172219 /nfs/dbraw/zinc/17/22/19/856172219.db2.gz HHSWUERFDMQAAT-GOSISDBHSA-N 2 1 395.334 3.692 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)[C@H]1c1cccs1 ZINC000905136561 856181972 /nfs/dbraw/zinc/18/19/72/856181972.db2.gz ZNWUUSMWNLLJIS-HMFYCAOWSA-N 2 1 399.560 3.642 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)[C@H]1c1cccs1 ZINC000905136561 856181974 /nfs/dbraw/zinc/18/19/74/856181974.db2.gz ZNWUUSMWNLLJIS-HMFYCAOWSA-N 2 1 399.560 3.642 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N[C@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486861 856251064 /nfs/dbraw/zinc/25/10/64/856251064.db2.gz UNRPQDCQGDQORA-HQRMLTQVSA-N 2 1 377.598 3.505 20 0 GHADMP COc1ccc(-c2cnc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000060368349 856281588 /nfs/dbraw/zinc/28/15/88/856281588.db2.gz PJUYZTMJALXGGF-HDICACEKSA-N 2 1 399.535 3.671 20 0 GHADMP COc1ccc(-c2cnc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000060368349 856281596 /nfs/dbraw/zinc/28/15/96/856281596.db2.gz PJUYZTMJALXGGF-HDICACEKSA-N 2 1 399.535 3.671 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+]1C ZINC000172614925 856301294 /nfs/dbraw/zinc/30/12/94/856301294.db2.gz BRKONZQZODHJOW-XXBNENTESA-N 2 1 379.548 3.873 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000172614925 856301307 /nfs/dbraw/zinc/30/13/07/856301307.db2.gz BRKONZQZODHJOW-XXBNENTESA-N 2 1 379.548 3.873 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000172614925 856301316 /nfs/dbraw/zinc/30/13/16/856301316.db2.gz BRKONZQZODHJOW-XXBNENTESA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)c1[nH+]ccn1CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000729526635 856373723 /nfs/dbraw/zinc/37/37/23/856373723.db2.gz AMTIHMSOXQHATH-IBGZPJMESA-N 2 1 398.551 3.690 20 0 GHADMP CC(C)c1[nH+]ccn1CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000729526635 856373734 /nfs/dbraw/zinc/37/37/34/856373734.db2.gz AMTIHMSOXQHATH-IBGZPJMESA-N 2 1 398.551 3.690 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@]23C[C@H]2CN(C(=O)c2ccco2)C3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009335 856397116 /nfs/dbraw/zinc/39/71/16/856397116.db2.gz HZOMAAIJKNWSDF-KGLBSCIUSA-N 2 1 393.531 3.525 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC[NH2+]CC2 ZINC000573793730 856476827 /nfs/dbraw/zinc/47/68/27/856476827.db2.gz SCZRUXYXUMMILF-IBGZPJMESA-N 2 1 393.531 3.668 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3conc3Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000507833130 856542880 /nfs/dbraw/zinc/54/28/80/856542880.db2.gz KBGUPEGNBMLASC-KDURUIRLSA-N 2 1 383.536 3.587 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000110742004 856652049 /nfs/dbraw/zinc/65/20/49/856652049.db2.gz LGZKXBLAXFLCNM-QFIPXVFZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000110742004 856652056 /nfs/dbraw/zinc/65/20/56/856652056.db2.gz LGZKXBLAXFLCNM-QFIPXVFZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000110742004 856652058 /nfs/dbraw/zinc/65/20/58/856652058.db2.gz LGZKXBLAXFLCNM-QFIPXVFZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000110742004 856652062 /nfs/dbraw/zinc/65/20/62/856652062.db2.gz LGZKXBLAXFLCNM-QFIPXVFZSA-N 2 1 379.548 3.633 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000045779885 856764927 /nfs/dbraw/zinc/76/49/27/856764927.db2.gz AOYAREFKSGRWKH-HXUWFJFHSA-N 2 1 398.595 3.831 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)cc2)C1 ZINC000658138019 856782140 /nfs/dbraw/zinc/78/21/40/856782140.db2.gz LTMLJOPZDRWPRL-VWNXMTODSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)cc2)C1 ZINC000658138019 856782148 /nfs/dbraw/zinc/78/21/48/856782148.db2.gz LTMLJOPZDRWPRL-VWNXMTODSA-N 2 1 391.490 3.667 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000508069999 856856821 /nfs/dbraw/zinc/85/68/21/856856821.db2.gz JVOTVLBBONDVLS-HXUWFJFHSA-N 2 1 386.584 3.876 20 0 GHADMP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000245484658 856901098 /nfs/dbraw/zinc/90/10/98/856901098.db2.gz HVOOHCVDZUXMCY-FHWLQOOXSA-N 2 1 398.551 3.927 20 0 GHADMP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665254169 857022702 /nfs/dbraw/zinc/02/27/02/857022702.db2.gz JECVVYKSDZIQKX-XTFFSAJJSA-N 2 1 381.539 3.771 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000499513166 857085589 /nfs/dbraw/zinc/08/55/89/857085589.db2.gz IRZWOGKFAOLYKY-QGZVFWFLSA-N 2 1 377.916 3.574 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000665255428 857100587 /nfs/dbraw/zinc/10/05/87/857100587.db2.gz SDFHQMAYLAGCMD-WKDRNLAYSA-N 2 1 382.552 3.580 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185576 862873171 /nfs/dbraw/zinc/87/31/71/862873171.db2.gz FVWDWIQLSRLMQC-BHIYHBOVSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185576 862873186 /nfs/dbraw/zinc/87/31/86/862873186.db2.gz FVWDWIQLSRLMQC-BHIYHBOVSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185576 862873200 /nfs/dbraw/zinc/87/32/00/862873200.db2.gz FVWDWIQLSRLMQC-BHIYHBOVSA-N 2 1 397.485 3.689 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000056846309 857119874 /nfs/dbraw/zinc/11/98/74/857119874.db2.gz CTOLKBCCBUQGLK-UHFFFAOYSA-N 2 1 388.600 3.789 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000056846309 857119886 /nfs/dbraw/zinc/11/98/86/857119886.db2.gz CTOLKBCCBUQGLK-UHFFFAOYSA-N 2 1 388.600 3.789 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000056846309 857119899 /nfs/dbraw/zinc/11/98/99/857119899.db2.gz CTOLKBCCBUQGLK-UHFFFAOYSA-N 2 1 388.600 3.789 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465947689 857190632 /nfs/dbraw/zinc/19/06/32/857190632.db2.gz ICTXLMRKJMRLPU-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465947689 857190635 /nfs/dbraw/zinc/19/06/35/857190635.db2.gz ICTXLMRKJMRLPU-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465947689 857190637 /nfs/dbraw/zinc/19/06/37/857190637.db2.gz ICTXLMRKJMRLPU-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000574102911 857246756 /nfs/dbraw/zinc/24/67/56/857246756.db2.gz UWDHNMSFHPEZST-JMBSJVKXSA-N 2 1 391.559 3.666 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000058061157 857257162 /nfs/dbraw/zinc/25/71/62/857257162.db2.gz ISHAPYFYNIOUBF-LBPRGKRZSA-N 2 1 377.273 3.870 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000058061157 857257166 /nfs/dbraw/zinc/25/71/66/857257166.db2.gz ISHAPYFYNIOUBF-LBPRGKRZSA-N 2 1 377.273 3.870 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000574139042 857258842 /nfs/dbraw/zinc/25/88/42/857258842.db2.gz SMYFZPUSFAYFJE-RBBKRZOGSA-N 2 1 384.568 3.961 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(Cl)c3N(C)C)CC2)CC1 ZINC000574216456 857295053 /nfs/dbraw/zinc/29/50/53/857295053.db2.gz HQIJYLHBMZMERP-UHFFFAOYSA-N 2 1 392.975 3.541 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000520852252 857298649 /nfs/dbraw/zinc/29/86/49/857298649.db2.gz GGUXBKAXCDTNOH-PYCFBYDPSA-N 2 1 394.559 3.934 20 0 GHADMP CC[C@H]1Cc2ccccc2CN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000574171957 857315189 /nfs/dbraw/zinc/31/51/89/857315189.db2.gz WUIRNWTVTFKWKB-QFIPXVFZSA-N 2 1 383.580 3.546 20 0 GHADMP C[C@@](CO)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000477865410 857379335 /nfs/dbraw/zinc/37/93/35/857379335.db2.gz REIFVUVPVNGIMH-DEOSSOPVSA-N 2 1 384.539 3.664 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)CC1 ZINC000059371024 857395443 /nfs/dbraw/zinc/39/54/43/857395443.db2.gz UNWVCJCQPDOTFO-UHFFFAOYSA-N 2 1 379.548 3.667 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)CC1 ZINC000059371024 857395454 /nfs/dbraw/zinc/39/54/54/857395454.db2.gz UNWVCJCQPDOTFO-UHFFFAOYSA-N 2 1 379.548 3.667 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(OC(F)(F)F)c2)c2cccs2)CC1 ZINC000520932497 857417434 /nfs/dbraw/zinc/41/74/34/857417434.db2.gz DUDGWIJDQAUTDH-KRWDZBQOSA-N 2 1 399.482 3.725 20 0 GHADMP CCN(C(=O)N[C@H](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000675536424 857489892 /nfs/dbraw/zinc/48/98/92/857489892.db2.gz KPDKLWNGFQKFDB-WOIUINJBSA-N 2 1 386.584 3.584 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000061633780 857534672 /nfs/dbraw/zinc/53/46/72/857534672.db2.gz RQOWVPGYZBRWHE-QHCPKHFHSA-N 2 1 379.548 3.982 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000675750157 857587239 /nfs/dbraw/zinc/58/72/39/857587239.db2.gz RQFHMAKENXYYNT-RBUKOAKNSA-N 2 1 390.535 3.745 20 0 GHADMP C(=C\C[N@H+]1CC[C@@H](Nc2ccccc2)C1)\C[NH+]1CC[C@H](Nc2ccccc2)C1 ZINC000255215335 857598735 /nfs/dbraw/zinc/59/87/35/857598735.db2.gz MAXZKEJYTPMFJS-ZUHQACNJSA-N 2 1 376.548 3.915 20 0 GHADMP C(=C\C[N@@H+]1CC[C@H](Nc2ccccc2)C1)\C[NH+]1CC[C@@H](Nc2ccccc2)C1 ZINC000255215335 857598741 /nfs/dbraw/zinc/59/87/41/857598741.db2.gz MAXZKEJYTPMFJS-ZUHQACNJSA-N 2 1 376.548 3.915 20 0 GHADMP C(=C\C[N@H+]1CC[C@H](Nc2ccccc2)C1)\C[NH+]1CC[C@@H](Nc2ccccc2)C1 ZINC000255215335 857598749 /nfs/dbraw/zinc/59/87/49/857598749.db2.gz MAXZKEJYTPMFJS-ZUHQACNJSA-N 2 1 376.548 3.915 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc4[nH]c5c(c4c3)C[N@H+](C)CC5)ccc21 ZINC000615873346 857617588 /nfs/dbraw/zinc/61/75/88/857617588.db2.gz KSMJPACSEANFHG-HSZRJFAPSA-N 2 1 388.515 3.957 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc4[nH]c5c(c4c3)C[N@@H+](C)CC5)ccc21 ZINC000615873346 857617591 /nfs/dbraw/zinc/61/75/91/857617591.db2.gz KSMJPACSEANFHG-HSZRJFAPSA-N 2 1 388.515 3.957 20 0 GHADMP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000593611966 857637396 /nfs/dbraw/zinc/63/73/96/857637396.db2.gz FKDOWKQEPNSPAH-MRXNPFEDSA-N 2 1 390.572 3.800 20 0 GHADMP Clc1ccc(I)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000593727507 857669299 /nfs/dbraw/zinc/66/92/99/857669299.db2.gz NWMCUOZCOHGLEO-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000671744451 857764613 /nfs/dbraw/zinc/76/46/13/857764613.db2.gz IQAIZNRIHQVAMP-PKOBYXMFSA-N 2 1 379.504 3.580 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000574445151 857885659 /nfs/dbraw/zinc/88/56/59/857885659.db2.gz RPXHBSRWSDHYBN-NNMXDRDESA-N 2 1 388.577 3.777 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000574445151 857885671 /nfs/dbraw/zinc/88/56/71/857885671.db2.gz RPXHBSRWSDHYBN-NNMXDRDESA-N 2 1 388.577 3.777 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676469521 857904675 /nfs/dbraw/zinc/90/46/75/857904675.db2.gz JLAIZTTZKQYXTP-RTBURBONSA-N 2 1 375.520 3.514 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3COC3)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168014124 857949228 /nfs/dbraw/zinc/94/92/28/857949228.db2.gz KFFMVMAVRVFFOS-HATOLVCRSA-N 2 1 380.532 3.995 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000521435963 857994715 /nfs/dbraw/zinc/99/47/15/857994715.db2.gz HWFFATPUFBPNQU-QRVBRYPASA-N 2 1 379.504 3.737 20 0 GHADMP CC[N@H+]1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000574569361 858089693 /nfs/dbraw/zinc/08/96/93/858089693.db2.gz QPEZXLPRXWOEJQ-UHFFFAOYSA-N 2 1 390.597 3.824 20 0 GHADMP C[C@H](CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451333545 858122069 /nfs/dbraw/zinc/12/20/69/858122069.db2.gz BHGGTWONNAXGRI-VUICWQFOSA-N 2 1 392.628 3.796 20 0 GHADMP C[C@H](CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451333545 858122071 /nfs/dbraw/zinc/12/20/71/858122071.db2.gz BHGGTWONNAXGRI-VUICWQFOSA-N 2 1 392.628 3.796 20 0 GHADMP C[C@H](CC[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451333545 858122073 /nfs/dbraw/zinc/12/20/73/858122073.db2.gz BHGGTWONNAXGRI-VUICWQFOSA-N 2 1 392.628 3.796 20 0 GHADMP CC(C)(C)C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000665294671 858134537 /nfs/dbraw/zinc/13/45/37/858134537.db2.gz UCPRARQHMNZYKB-OAHLLOKOSA-N 2 1 393.329 3.671 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000521602197 858148075 /nfs/dbraw/zinc/14/80/75/858148075.db2.gz XEXSLBRAFBPVJT-SFHLNBCPSA-N 2 1 389.559 3.522 20 0 GHADMP Cc1oc2ccccc2c1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000574726934 858152121 /nfs/dbraw/zinc/15/21/21/858152121.db2.gz UEHVKEQZDLZGAJ-QZTJIDSGSA-N 2 1 386.536 3.831 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000574757087 858162555 /nfs/dbraw/zinc/16/25/55/858162555.db2.gz PEWWUZSSRLRBPL-NRFANRHFSA-N 2 1 393.531 3.526 20 0 GHADMP CCOc1ccc([C@@H](CC)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OCC ZINC000442872871 858189727 /nfs/dbraw/zinc/18/97/27/858189727.db2.gz KDPILCVCSGADIU-LJQANCHMSA-N 2 1 377.573 3.551 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282333985 858244119 /nfs/dbraw/zinc/24/41/19/858244119.db2.gz FZJRXOZDSDMJPT-RRPUWOKSSA-N 2 1 392.547 3.793 20 0 GHADMP C[C@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574797008 858321254 /nfs/dbraw/zinc/32/12/54/858321254.db2.gz PSVAJEHBNMCZGZ-RDGATRHJSA-N 2 1 377.576 3.757 20 0 GHADMP C[C@@H]1CCCN(Cc2csc(NC(=O)N3CCC[N@H+](C(C)(C)C)CC3)n2)C1 ZINC000521823502 858356656 /nfs/dbraw/zinc/35/66/56/858356656.db2.gz YOEZOBWNNGAVGX-MRXNPFEDSA-N 2 1 393.601 3.713 20 0 GHADMP Ic1ccc2c(c1)[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000595055647 858380654 /nfs/dbraw/zinc/38/06/54/858380654.db2.gz YPSCURGBZHBDND-LEOMRAHMSA-N 2 1 396.316 3.885 20 0 GHADMP COc1cc(-c2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443196236 858461030 /nfs/dbraw/zinc/46/10/30/858461030.db2.gz KTCYUNJGGHMQST-OWCLPIDISA-N 2 1 388.512 3.619 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCC(c3ccccc3)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000575046249 858503034 /nfs/dbraw/zinc/50/30/34/858503034.db2.gz IBZQFOAWFJMSDH-VWDUAXENSA-N 2 1 383.580 3.541 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000522116530 858640024 /nfs/dbraw/zinc/64/00/24/858640024.db2.gz GPNHJNTUDAUVLZ-ZEQRLZLVSA-N 2 1 397.607 3.869 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000482750044 858818976 /nfs/dbraw/zinc/81/89/76/858818976.db2.gz ASCQIPNUNPGHPR-RBUKOAKNSA-N 2 1 385.577 3.870 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000522230158 858856508 /nfs/dbraw/zinc/85/65/08/858856508.db2.gz QYIOVINBCMGDIX-VQTJNVASSA-N 2 1 386.584 3.681 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000482843548 858912312 /nfs/dbraw/zinc/91/23/12/858912312.db2.gz NTBWMCHDKBSAFW-DYESRHJHSA-N 2 1 395.938 3.921 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)c1 ZINC000466284216 858979926 /nfs/dbraw/zinc/97/99/26/858979926.db2.gz ZHUBCNCGBDIDJS-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466284216 858979931 /nfs/dbraw/zinc/97/99/31/858979931.db2.gz ZHUBCNCGBDIDJS-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466284216 858979942 /nfs/dbraw/zinc/97/99/42/858979942.db2.gz ZHUBCNCGBDIDJS-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)C1 ZINC001143616531 858995281 /nfs/dbraw/zinc/99/52/81/858995281.db2.gz XNRWNQRIDLXGQX-NRFANRHFSA-N 2 1 393.575 3.898 20 0 GHADMP Cc1ccc2c(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)ccc(O)c2n1 ZINC000429683805 859015145 /nfs/dbraw/zinc/01/51/45/859015145.db2.gz LXRAOYXFQAXPGL-HDICACEKSA-N 2 1 383.536 3.570 20 0 GHADMP COc1ccc(Oc2ccc(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)cc2)cc1 ZINC000543251797 859025058 /nfs/dbraw/zinc/02/50/58/859025058.db2.gz ILTIIWCNYKNCMT-UHFFFAOYSA-N 2 1 397.563 3.851 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000532192860 881374326 /nfs/dbraw/zinc/37/43/26/881374326.db2.gz ZLAZNDNHWWTPPP-HRCADAONSA-N 2 1 381.948 3.918 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000532192860 881374344 /nfs/dbraw/zinc/37/43/44/881374344.db2.gz ZLAZNDNHWWTPPP-HRCADAONSA-N 2 1 381.948 3.918 20 0 GHADMP CC[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000522329230 859057263 /nfs/dbraw/zinc/05/72/63/859057263.db2.gz AEWUROCJXVXJGP-UHFFFAOYSA-N 2 1 394.563 3.700 20 0 GHADMP COc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)ccc1OCc1ccncc1 ZINC000185291608 859067180 /nfs/dbraw/zinc/06/71/80/859067180.db2.gz SUGFQPBZNQUNNZ-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)COc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661949 859115027 /nfs/dbraw/zinc/11/50/27/859115027.db2.gz DVGNJSFGJHNDJV-DWLFOUALSA-N 2 1 382.548 3.822 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)cc4cccnc43)C2)ccn1 ZINC000856553446 881385697 /nfs/dbraw/zinc/38/56/97/881385697.db2.gz WCIZBUXGCYPXNK-QFIPXVFZSA-N 2 1 394.494 3.874 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)cc4cccnc43)C2)ccn1 ZINC000856553446 881385714 /nfs/dbraw/zinc/38/57/14/881385714.db2.gz WCIZBUXGCYPXNK-QFIPXVFZSA-N 2 1 394.494 3.874 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)cc4cccnc43)C2)ccn1 ZINC000856553446 881385736 /nfs/dbraw/zinc/38/57/36/881385736.db2.gz WCIZBUXGCYPXNK-QFIPXVFZSA-N 2 1 394.494 3.874 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000191480550 859175941 /nfs/dbraw/zinc/17/59/41/859175941.db2.gz FFGADFLWTSKIGP-INIZCTEOSA-N 2 1 376.932 3.516 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000191480550 859175958 /nfs/dbraw/zinc/17/59/58/859175958.db2.gz FFGADFLWTSKIGP-INIZCTEOSA-N 2 1 376.932 3.516 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000483211800 859225501 /nfs/dbraw/zinc/22/55/01/859225501.db2.gz HJUNPRNBKCQOBP-QFIPXVFZSA-N 2 1 395.591 3.690 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000483211800 859225513 /nfs/dbraw/zinc/22/55/13/859225513.db2.gz HJUNPRNBKCQOBP-QFIPXVFZSA-N 2 1 395.591 3.690 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000483211800 859225523 /nfs/dbraw/zinc/22/55/23/859225523.db2.gz HJUNPRNBKCQOBP-QFIPXVFZSA-N 2 1 395.591 3.690 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000466372608 859239694 /nfs/dbraw/zinc/23/96/94/859239694.db2.gz RKQYNZPCDWETCZ-UHFFFAOYSA-N 2 1 383.502 3.892 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429414996 859313276 /nfs/dbraw/zinc/31/32/76/859313276.db2.gz ZWHGLKPGRUGHRE-IEZKXTBUSA-N 2 1 399.623 3.910 20 0 GHADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC001127741172 859322355 /nfs/dbraw/zinc/32/23/55/859322355.db2.gz XHLALPBSAFTABA-HUVFLSCGSA-N 2 1 391.559 3.838 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC001127741172 859322361 /nfs/dbraw/zinc/32/23/61/859322361.db2.gz XHLALPBSAFTABA-HUVFLSCGSA-N 2 1 391.559 3.838 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC001127741172 859322369 /nfs/dbraw/zinc/32/23/69/859322369.db2.gz XHLALPBSAFTABA-HUVFLSCGSA-N 2 1 391.559 3.838 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC001127741172 859322376 /nfs/dbraw/zinc/32/23/76/859322376.db2.gz XHLALPBSAFTABA-HUVFLSCGSA-N 2 1 391.559 3.838 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194889494 859327258 /nfs/dbraw/zinc/32/72/58/859327258.db2.gz VKMFTWMUFVFOGW-LJQANCHMSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1cc(C(F)F)oc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000626017540 859348681 /nfs/dbraw/zinc/34/86/81/859348681.db2.gz QBJLUZNWTFFGCV-UHFFFAOYSA-N 2 1 397.510 3.794 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000923483496 859360997 /nfs/dbraw/zinc/36/09/97/859360997.db2.gz ARILCXHVJGEPBS-CQSZACIVSA-N 2 1 378.929 3.652 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1)c1cccc(Cl)c1 ZINC000923483496 859361005 /nfs/dbraw/zinc/36/10/05/859361005.db2.gz ARILCXHVJGEPBS-CQSZACIVSA-N 2 1 378.929 3.652 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483502813 859413566 /nfs/dbraw/zinc/41/35/66/859413566.db2.gz IDYIVTOWZIJLLM-ODGPQVTHSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483502813 859413570 /nfs/dbraw/zinc/41/35/70/859413570.db2.gz IDYIVTOWZIJLLM-ODGPQVTHSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483502813 859413576 /nfs/dbraw/zinc/41/35/76/859413576.db2.gz IDYIVTOWZIJLLM-ODGPQVTHSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483502813 859413581 /nfs/dbraw/zinc/41/35/81/859413581.db2.gz IDYIVTOWZIJLLM-ODGPQVTHSA-N 2 1 398.522 3.552 20 0 GHADMP O=[S@](CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511944 859425947 /nfs/dbraw/zinc/42/59/47/859425947.db2.gz KLDOBBZQMYSNAD-MRCUYLHHSA-N 2 1 382.573 3.781 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(-c2ccccc2)c1 ZINC000764466533 859458743 /nfs/dbraw/zinc/45/87/43/859458743.db2.gz RGAJKJUARSXSHV-WIYYLYMNSA-N 2 1 395.576 3.573 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000509445296 859459629 /nfs/dbraw/zinc/45/96/29/859459629.db2.gz BMUAYVQAIZJIKK-QFIPXVFZSA-N 2 1 375.520 3.658 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000509445296 859459632 /nfs/dbraw/zinc/45/96/32/859459632.db2.gz BMUAYVQAIZJIKK-QFIPXVFZSA-N 2 1 375.520 3.658 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)OCCO2 ZINC000895448234 859490913 /nfs/dbraw/zinc/49/09/13/859490913.db2.gz ABHUFJIPBPFRCV-PWRODBHTSA-N 2 1 388.527 3.512 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Oc4ccc(OC)cc4)cc3)C2)CC1 ZINC000543395710 859558629 /nfs/dbraw/zinc/55/86/29/859558629.db2.gz ROWDOEBJJWFZAU-NRFANRHFSA-N 2 1 395.547 3.699 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856560138 881440758 /nfs/dbraw/zinc/44/07/58/881440758.db2.gz KDUPVEKSUBLHGL-JOCHJYFZSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856560138 881440761 /nfs/dbraw/zinc/44/07/61/881440761.db2.gz KDUPVEKSUBLHGL-JOCHJYFZSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856560138 881440764 /nfs/dbraw/zinc/44/07/64/881440764.db2.gz KDUPVEKSUBLHGL-JOCHJYFZSA-N 2 1 396.535 3.534 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560071 881440067 /nfs/dbraw/zinc/44/00/67/881440067.db2.gz VBZDBYSTXMIUHK-FQEVSTJZSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560071 881440085 /nfs/dbraw/zinc/44/00/85/881440085.db2.gz VBZDBYSTXMIUHK-FQEVSTJZSA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc4cccnc4o3)C2)ccn1 ZINC000856560071 881440095 /nfs/dbraw/zinc/44/00/95/881440095.db2.gz VBZDBYSTXMIUHK-FQEVSTJZSA-N 2 1 380.492 3.716 20 0 GHADMP C[C@@H]1C[C@@H](NCc2ccc(-n3cccn3)nc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030696 859639143 /nfs/dbraw/zinc/63/91/43/859639143.db2.gz WOLVERXICAOLGD-HATOLVCRSA-N 2 1 375.520 3.799 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cccn3)nc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168030696 859639155 /nfs/dbraw/zinc/63/91/55/859639155.db2.gz WOLVERXICAOLGD-HATOLVCRSA-N 2 1 375.520 3.799 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764964214 859711065 /nfs/dbraw/zinc/71/10/65/859711065.db2.gz QPKYZVDZBMIPEK-CVEARBPZSA-N 2 1 388.524 3.846 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)cc(F)c3)C2)ccn1 ZINC000856561606 881468421 /nfs/dbraw/zinc/46/84/21/881468421.db2.gz VGMCAVADEKNRGN-NRFANRHFSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)cc(F)c3)C2)ccn1 ZINC000856561606 881468428 /nfs/dbraw/zinc/46/84/28/881468428.db2.gz VGMCAVADEKNRGN-NRFANRHFSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)ccn1 ZINC000856561606 881468437 /nfs/dbraw/zinc/46/84/37/881468437.db2.gz VGMCAVADEKNRGN-NRFANRHFSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)ccn1 ZINC000856561606 881468440 /nfs/dbraw/zinc/46/84/40/881468440.db2.gz VGMCAVADEKNRGN-NRFANRHFSA-N 2 1 375.463 3.853 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@@H](C)C1 ZINC000484519175 860072613 /nfs/dbraw/zinc/07/26/13/860072613.db2.gz PGUVWGUREGVMDC-PGRDOPGGSA-N 2 1 384.568 3.716 20 0 GHADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000474455931 860143903 /nfs/dbraw/zinc/14/39/03/860143903.db2.gz DASONASWFUAEKI-GOEBONIOSA-N 2 1 398.332 3.686 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474503729 860241711 /nfs/dbraw/zinc/24/17/11/860241711.db2.gz XYIPCXSJSVEJKB-HSZRJFAPSA-N 2 1 395.522 3.702 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474503729 860241721 /nfs/dbraw/zinc/24/17/21/860241721.db2.gz XYIPCXSJSVEJKB-HSZRJFAPSA-N 2 1 395.522 3.702 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000536683299 860272486 /nfs/dbraw/zinc/27/24/86/860272486.db2.gz VKKDPCPPBKLOPM-UHFFFAOYSA-N 2 1 380.458 3.789 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c21 ZINC000093597617 860313364 /nfs/dbraw/zinc/31/33/64/860313364.db2.gz QTPIQUGNMDCBGQ-SFHVURJKSA-N 2 1 385.552 3.902 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c21 ZINC000093597617 860313372 /nfs/dbraw/zinc/31/33/72/860313372.db2.gz QTPIQUGNMDCBGQ-SFHVURJKSA-N 2 1 385.552 3.902 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3conc3Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000508968591 860342057 /nfs/dbraw/zinc/34/20/57/860342057.db2.gz YCZDBSIPSXRESW-BGYRXZFFSA-N 2 1 397.563 3.977 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000904605411 860530134 /nfs/dbraw/zinc/53/01/34/860530134.db2.gz RRBYJTQJAKXVAG-VQTJNVASSA-N 2 1 392.547 3.866 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904645873 860542789 /nfs/dbraw/zinc/54/27/89/860542789.db2.gz DVEYTBBFMLFFFT-DNVCBOLYSA-N 2 1 390.890 3.752 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000054510298 860606361 /nfs/dbraw/zinc/60/63/61/860606361.db2.gz VVIKVGCDGGXQDB-MOPGFXCFSA-N 2 1 392.613 3.552 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000054509427 860606435 /nfs/dbraw/zinc/60/64/35/860606435.db2.gz VPHVNMGUZAXWAZ-PXNSSMCTSA-N 2 1 392.975 3.508 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000509029698 860615314 /nfs/dbraw/zinc/61/53/14/860615314.db2.gz GORUMZCRZGNBNS-NSISKUIASA-N 2 1 394.991 3.847 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000509029698 860615318 /nfs/dbraw/zinc/61/53/18/860615318.db2.gz GORUMZCRZGNBNS-NSISKUIASA-N 2 1 394.991 3.847 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000509029698 860615323 /nfs/dbraw/zinc/61/53/23/860615323.db2.gz GORUMZCRZGNBNS-NSISKUIASA-N 2 1 394.991 3.847 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474702814 860650479 /nfs/dbraw/zinc/65/04/79/860650479.db2.gz SWZPIVHAWKUEDG-JOCHJYFZSA-N 2 1 399.510 3.759 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474702814 860650482 /nfs/dbraw/zinc/65/04/82/860650482.db2.gz SWZPIVHAWKUEDG-JOCHJYFZSA-N 2 1 399.510 3.759 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCCC[NH+]3C(C)C)C2)ccn1 ZINC000856604867 881581379 /nfs/dbraw/zinc/58/13/79/881581379.db2.gz SRRRTHWXTYDXCP-GMAHTHKFSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)C2)ccn1 ZINC000856604867 881581399 /nfs/dbraw/zinc/58/13/99/881581399.db2.gz SRRRTHWXTYDXCP-GMAHTHKFSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCCC[N@H+]3C(C)C)C2)ccn1 ZINC000856604867 881581420 /nfs/dbraw/zinc/58/14/20/881581420.db2.gz SRRRTHWXTYDXCP-GMAHTHKFSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607155 881584801 /nfs/dbraw/zinc/58/48/01/881584801.db2.gz WXQHWINWBBJJTL-YGOYIFOWSA-N 2 1 397.563 3.540 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607155 881584809 /nfs/dbraw/zinc/58/48/09/881584809.db2.gz WXQHWINWBBJJTL-YGOYIFOWSA-N 2 1 397.563 3.540 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607155 881584827 /nfs/dbraw/zinc/58/48/27/881584827.db2.gz WXQHWINWBBJJTL-YGOYIFOWSA-N 2 1 397.563 3.540 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000481328979 861077148 /nfs/dbraw/zinc/07/71/48/861077148.db2.gz WFEZYCDKAJHBEH-RBUKOAKNSA-N 2 1 378.520 3.906 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000179215330 861085613 /nfs/dbraw/zinc/08/56/13/861085613.db2.gz MQLYYFAYDUYTMD-LJQANCHMSA-N 2 1 381.358 3.915 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1(C)C ZINC000623486017 861112242 /nfs/dbraw/zinc/11/22/42/861112242.db2.gz JGMBPLHLZQQJAB-ZWKOTPCHSA-N 2 1 397.485 3.659 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1(C)C ZINC000623486017 861112252 /nfs/dbraw/zinc/11/22/52/861112252.db2.gz JGMBPLHLZQQJAB-ZWKOTPCHSA-N 2 1 397.485 3.659 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C4CCC4)cc3)cc2)CC1 ZINC000555524723 861131172 /nfs/dbraw/zinc/13/11/72/861131172.db2.gz XUMDDVGGJYQBPX-UHFFFAOYSA-N 2 1 377.532 3.632 20 0 GHADMP CCC1CCC([N@@H+](C)CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000920089493 881627997 /nfs/dbraw/zinc/62/79/97/881627997.db2.gz MELJJPVZHPELGA-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](CCCn1ccnc1)CC2 ZINC000182623635 863304674 /nfs/dbraw/zinc/30/46/74/863304674.db2.gz GZBZEWGJGGQOOJ-NRFANRHFSA-N 2 1 383.517 4.000 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2F)s1 ZINC000482554619 863320600 /nfs/dbraw/zinc/32/06/00/863320600.db2.gz PHEXCTBBZTWLHX-HOTGVXAUSA-N 2 1 389.540 3.792 20 0 GHADMP c1[nH+]c(C2CC[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)n2c1CCCC2 ZINC000668084672 863355736 /nfs/dbraw/zinc/35/57/36/863355736.db2.gz SBMDXDQOLYJGSG-JOCHJYFZSA-N 2 1 381.520 3.767 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000482595463 863364243 /nfs/dbraw/zinc/36/42/43/863364243.db2.gz GRLDTGSJRILBBH-OALUTQOASA-N 2 1 395.547 3.918 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC[NH+](C)CC1 ZINC000606635529 863726023 /nfs/dbraw/zinc/72/60/23/863726023.db2.gz KPDVNCZBHAITQH-OALUTQOASA-N 2 1 386.584 3.591 20 0 GHADMP Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000606589466 863734440 /nfs/dbraw/zinc/73/44/40/863734440.db2.gz AIZVQSWJADFSAG-GOSISDBHSA-N 2 1 390.572 3.567 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cc(C)n(Cc3ccco3)c2C)CC1 ZINC000444284991 863820195 /nfs/dbraw/zinc/82/01/95/863820195.db2.gz HYENXZVHIIWXFN-UHFFFAOYSA-N 2 1 385.552 3.983 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCN([C@H](C)c4ccccc4)C3)CCCC2)CC1 ZINC000532295510 881706485 /nfs/dbraw/zinc/70/64/85/881706485.db2.gz IITQEEIUDHALNE-IFMALSPDSA-N 2 1 385.596 3.835 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000120766034 881712470 /nfs/dbraw/zinc/71/24/70/881712470.db2.gz WUOSIQDTXPAVOO-GOSISDBHSA-N 2 1 393.597 3.532 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000120766034 881712485 /nfs/dbraw/zinc/71/24/85/881712485.db2.gz WUOSIQDTXPAVOO-GOSISDBHSA-N 2 1 393.597 3.532 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000532298541 881713138 /nfs/dbraw/zinc/71/31/38/881713138.db2.gz ICQLWDYUQBPXMW-PBHICJAKSA-N 2 1 377.579 3.684 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](Oc3cnccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054694 863981778 /nfs/dbraw/zinc/98/17/78/863981778.db2.gz ALXWXYLJRSDQMJ-MXNKGDRCSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@H](Oc3cnccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054694 863981793 /nfs/dbraw/zinc/98/17/93/863981793.db2.gz ALXWXYLJRSDQMJ-MXNKGDRCSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3cnccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054694 863981808 /nfs/dbraw/zinc/98/18/08/863981808.db2.gz ALXWXYLJRSDQMJ-MXNKGDRCSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3cnccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054694 863981811 /nfs/dbraw/zinc/98/18/11/863981811.db2.gz ALXWXYLJRSDQMJ-MXNKGDRCSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@H]1C[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000667618054 864018037 /nfs/dbraw/zinc/01/80/37/864018037.db2.gz JSVRUCBSLJPQAC-UGKGYDQZSA-N 2 1 375.520 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCCCC2)[C@H](C)C1 ZINC000480082714 864030385 /nfs/dbraw/zinc/03/03/85/864030385.db2.gz ISADRDQGZDHIGH-YADHBBJMSA-N 2 1 379.633 3.902 20 0 GHADMP Cc1ccccc1C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000621274824 864044031 /nfs/dbraw/zinc/04/40/31/864044031.db2.gz UALKAABUHRELHE-UHFFFAOYSA-N 2 1 391.559 3.872 20 0 GHADMP Cc1ccccc1C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000621274824 864044037 /nfs/dbraw/zinc/04/40/37/864044037.db2.gz UALKAABUHRELHE-UHFFFAOYSA-N 2 1 391.559 3.872 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519496 864080853 /nfs/dbraw/zinc/08/08/53/864080853.db2.gz PIUHRDOLVKBIHC-QYZOEREBSA-N 2 1 399.560 3.579 20 0 GHADMP C[C@H]1CC([N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056231 864136711 /nfs/dbraw/zinc/13/67/11/864136711.db2.gz DREMYEYNNFTXFA-JAXLGGSGSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@H]1CC([N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056231 864136720 /nfs/dbraw/zinc/13/67/20/864136720.db2.gz DREMYEYNNFTXFA-JAXLGGSGSA-N 2 1 398.595 3.698 20 0 GHADMP CN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475091454 864138761 /nfs/dbraw/zinc/13/87/61/864138761.db2.gz BMUQHKXZEWEGQK-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000494449567 881737862 /nfs/dbraw/zinc/73/78/62/881737862.db2.gz BUGFGVBECPYIQE-YJBOKZPZSA-N 2 1 381.358 3.835 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475116203 864243009 /nfs/dbraw/zinc/24/30/09/864243009.db2.gz HVNOINYBDYHQPN-DENIHFKCSA-N 2 1 398.595 3.918 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455941740 864322675 /nfs/dbraw/zinc/32/26/75/864322675.db2.gz KAFBGPZDYPTIAA-OAHLLOKOSA-N 2 1 396.963 3.663 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000532301008 881761585 /nfs/dbraw/zinc/76/15/85/881761585.db2.gz SBIZAVGDXIIJQY-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@H](C)C1 ZINC000159283482 864461074 /nfs/dbraw/zinc/46/10/74/864461074.db2.gz QZBGJOZMMDEPLV-WIYYLYMNSA-N 2 1 399.535 3.759 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)CC2)[nH+]c1 ZINC000163498689 864525480 /nfs/dbraw/zinc/52/54/80/864525480.db2.gz JRKTVEHQTYXCGB-SFHVURJKSA-N 2 1 378.520 3.836 20 0 GHADMP C[C@H]1CC([NH+]2CCN(c3cccc(O)c3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168059627 864587093 /nfs/dbraw/zinc/58/70/93/864587093.db2.gz ULBMHGOYNGRVEZ-PMACEKPBSA-N 2 1 379.548 3.956 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000164596459 864623265 /nfs/dbraw/zinc/62/32/65/864623265.db2.gz XEWPCIPTDWZDJU-CQSZACIVSA-N 2 1 382.430 3.997 20 0 GHADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c1)CC2 ZINC000655710783 864840024 /nfs/dbraw/zinc/84/00/24/864840024.db2.gz FFJDTOZFUPNQEV-XZOQPEGZSA-N 2 1 391.559 3.778 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667723782 865065319 /nfs/dbraw/zinc/06/53/19/865065319.db2.gz GCVLWRFRPPKXHA-JTSKRJEESA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667723782 865065334 /nfs/dbraw/zinc/06/53/34/865065334.db2.gz GCVLWRFRPPKXHA-JTSKRJEESA-N 2 1 395.551 3.613 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCc3c(F)cccc3F)CC2)CC1 ZINC000645813285 865115727 /nfs/dbraw/zinc/11/57/27/865115727.db2.gz BHYCXKSEMGXVLY-UHFFFAOYSA-N 2 1 379.539 3.635 20 0 GHADMP C[N@@H+](CCc1c(F)cccc1F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000645813285 865115731 /nfs/dbraw/zinc/11/57/31/865115731.db2.gz BHYCXKSEMGXVLY-UHFFFAOYSA-N 3 1 379.539 3.635 20 0 GHADMP C[N@H+](CCc1c(F)cccc1F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000645813285 865115738 /nfs/dbraw/zinc/11/57/38/865115738.db2.gz BHYCXKSEMGXVLY-UHFFFAOYSA-N 3 1 379.539 3.635 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000171209193 865177542 /nfs/dbraw/zinc/17/75/42/865177542.db2.gz KJOAYQKDBSYKKD-LJQANCHMSA-N 2 1 397.567 3.703 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000480780201 865253245 /nfs/dbraw/zinc/25/32/45/865253245.db2.gz MUENGDORXWHYJV-DVECYGJZSA-N 2 1 379.548 3.746 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555009442 865305035 /nfs/dbraw/zinc/30/50/35/865305035.db2.gz QNHDVCQJQDMOFY-QHCPKHFHSA-N 2 1 377.532 3.677 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000920179636 881857189 /nfs/dbraw/zinc/85/71/89/881857189.db2.gz LIRYMZNDBOVMPN-HXUWFJFHSA-N 2 1 396.579 3.673 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000608684922 865555910 /nfs/dbraw/zinc/55/59/10/865555910.db2.gz CNZZAKSTQQRWKW-YADHBBJMSA-N 2 1 386.584 3.729 20 0 GHADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000480998907 865633275 /nfs/dbraw/zinc/63/32/75/865633275.db2.gz NZQBCLCBJZTFEW-UHFFFAOYSA-N 2 1 377.838 3.571 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000555172237 865648536 /nfs/dbraw/zinc/64/85/36/865648536.db2.gz XJFRUYCUPFTRIL-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000555172237 865648551 /nfs/dbraw/zinc/64/85/51/865648551.db2.gz XJFRUYCUPFTRIL-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000555172237 865648565 /nfs/dbraw/zinc/64/85/65/865648565.db2.gz XJFRUYCUPFTRIL-FQEVSTJZSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)c2)CCO1 ZINC000185280799 865907968 /nfs/dbraw/zinc/90/79/68/865907968.db2.gz OBDLPUCCARAITL-OAHLLOKOSA-N 2 1 389.883 3.759 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)c2)CCO1 ZINC000185280799 865907979 /nfs/dbraw/zinc/90/79/79/865907979.db2.gz OBDLPUCCARAITL-OAHLLOKOSA-N 2 1 389.883 3.759 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1OCCO ZINC000481169234 865912175 /nfs/dbraw/zinc/91/21/75/865912175.db2.gz BUSMTAXWWJABPY-XQBPLPMBSA-N 2 1 398.547 3.628 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1OCCO ZINC000481169234 865912182 /nfs/dbraw/zinc/91/21/82/865912182.db2.gz BUSMTAXWWJABPY-XQBPLPMBSA-N 2 1 398.547 3.628 20 0 GHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175316 865924963 /nfs/dbraw/zinc/92/49/63/865924963.db2.gz PGXZTMKUQPTHLZ-HKUYNNGSSA-N 2 1 399.501 3.534 20 0 GHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175316 865924974 /nfs/dbraw/zinc/92/49/74/865924974.db2.gz PGXZTMKUQPTHLZ-HKUYNNGSSA-N 2 1 399.501 3.534 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481181904 865944384 /nfs/dbraw/zinc/94/43/84/865944384.db2.gz OIPIHSWTBRWUAT-ZFGGDYGUSA-N 2 1 393.575 3.542 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481181904 865944394 /nfs/dbraw/zinc/94/43/94/865944394.db2.gz OIPIHSWTBRWUAT-ZFGGDYGUSA-N 2 1 393.575 3.542 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)c2)cc1 ZINC000175013382 865964367 /nfs/dbraw/zinc/96/43/67/865964367.db2.gz MMKYLLDFTIKMSO-CTNGQTDRSA-N 2 1 381.520 3.910 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192481387 866014568 /nfs/dbraw/zinc/01/45/68/866014568.db2.gz WSBAKRUNIVIZAJ-UHFFFAOYSA-N 2 1 381.545 3.663 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001168341536 881935650 /nfs/dbraw/zinc/93/56/50/881935650.db2.gz SQHZSUUWIOQFJO-YUMYIRISSA-N 2 1 383.580 3.524 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000667850029 866096624 /nfs/dbraw/zinc/09/66/24/866096624.db2.gz YGBZUQVKTQGYBN-UEVCKROQSA-N 2 1 390.531 3.712 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCN(CCc4cccs4)CC3)c2)C1 ZINC000857024300 881941279 /nfs/dbraw/zinc/94/12/79/881941279.db2.gz NPBULUSTZWYWKX-OAQYLSRUSA-N 2 1 397.588 3.558 20 0 GHADMP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](CCc4cccs4)CC3)c2)C1 ZINC000857024300 881941286 /nfs/dbraw/zinc/94/12/86/881941286.db2.gz NPBULUSTZWYWKX-OAQYLSRUSA-N 2 1 397.588 3.558 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](CCc4cccs4)CC3)c2)C1 ZINC000857024300 881941294 /nfs/dbraw/zinc/94/12/94/881941294.db2.gz NPBULUSTZWYWKX-OAQYLSRUSA-N 2 1 397.588 3.558 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655718585 866138220 /nfs/dbraw/zinc/13/82/20/866138220.db2.gz CDCJWOYPJQUDJQ-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(Br)c3)nc2C)C1 ZINC000655718585 866138228 /nfs/dbraw/zinc/13/82/28/866138228.db2.gz CDCJWOYPJQUDJQ-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494551401 881944451 /nfs/dbraw/zinc/94/44/51/881944451.db2.gz YQRGUHHCLQDMOI-KRWDZBQOSA-N 2 1 380.458 3.772 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494551401 881944472 /nfs/dbraw/zinc/94/44/72/881944472.db2.gz YQRGUHHCLQDMOI-KRWDZBQOSA-N 2 1 380.458 3.772 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000153280561 866322180 /nfs/dbraw/zinc/32/21/80/866322180.db2.gz FVGLYUDRXBSELW-OAQYLSRUSA-N 2 1 389.971 3.594 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N(C1CC1)C1CCCC1 ZINC000534227962 866341593 /nfs/dbraw/zinc/34/15/93/866341593.db2.gz OAGHDMZYCNAJEA-UHFFFAOYSA-N 2 1 395.591 3.908 20 0 GHADMP COCCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000154076051 867237764 /nfs/dbraw/zinc/23/77/64/867237764.db2.gz MCZBAUICZYOAIS-UHFFFAOYSA-N 2 1 386.511 3.648 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000429784516 867331628 /nfs/dbraw/zinc/33/16/28/867331628.db2.gz NUBMDMOCGQNRNE-IPJJNNNSSA-N 2 1 379.548 3.818 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000429784516 867331637 /nfs/dbraw/zinc/33/16/37/867331637.db2.gz NUBMDMOCGQNRNE-IPJJNNNSSA-N 2 1 379.548 3.818 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)[C@@H](C)C1 ZINC000429784516 867331648 /nfs/dbraw/zinc/33/16/48/867331648.db2.gz NUBMDMOCGQNRNE-IPJJNNNSSA-N 2 1 379.548 3.818 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000479210572 867358761 /nfs/dbraw/zinc/35/87/61/867358761.db2.gz NQSYUBKDRPPFTR-HXUWFJFHSA-N 2 1 380.467 3.875 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCC[C@H]1C ZINC000553432286 867387574 /nfs/dbraw/zinc/38/75/74/867387574.db2.gz XRFDDYKAQYPNGZ-ZFGGDYGUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1CCCC[C@H]1C ZINC000553432286 867387590 /nfs/dbraw/zinc/38/75/90/867387590.db2.gz XRFDDYKAQYPNGZ-ZFGGDYGUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1CCCC[C@H]1C ZINC000553432286 867387610 /nfs/dbraw/zinc/38/76/10/867387610.db2.gz XRFDDYKAQYPNGZ-ZFGGDYGUSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772835 867461988 /nfs/dbraw/zinc/46/19/88/867461988.db2.gz PGEWNRPTZSTHOQ-JTHBVZDNSA-N 2 1 394.563 3.501 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCC[NH+](C)C4)c3)sc2C1 ZINC000857178648 882089850 /nfs/dbraw/zinc/08/98/50/882089850.db2.gz GCOBUYHVNZDWQE-SFHVURJKSA-N 2 1 398.576 3.971 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCC[NH+](C)C4)c3)sc2C1 ZINC000857178648 882089871 /nfs/dbraw/zinc/08/98/71/882089871.db2.gz GCOBUYHVNZDWQE-SFHVURJKSA-N 2 1 398.576 3.971 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)sc2C1 ZINC000857178648 882089894 /nfs/dbraw/zinc/08/98/94/882089894.db2.gz GCOBUYHVNZDWQE-SFHVURJKSA-N 2 1 398.576 3.971 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)sc2C1 ZINC000857178648 882089912 /nfs/dbraw/zinc/08/99/12/882089912.db2.gz GCOBUYHVNZDWQE-SFHVURJKSA-N 2 1 398.576 3.971 20 0 GHADMP Cc1cnccc1OC1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857193083 882104437 /nfs/dbraw/zinc/10/44/37/882104437.db2.gz NPZKVCOWTBKMPY-OAQYLSRUSA-N 2 1 393.531 3.883 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857193083 882104444 /nfs/dbraw/zinc/10/44/44/882104444.db2.gz NPZKVCOWTBKMPY-OAQYLSRUSA-N 2 1 393.531 3.883 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857193083 882104451 /nfs/dbraw/zinc/10/44/51/882104451.db2.gz NPZKVCOWTBKMPY-OAQYLSRUSA-N 2 1 393.531 3.883 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)[C@H](C)C1 ZINC000155253619 867834525 /nfs/dbraw/zinc/83/45/25/867834525.db2.gz JAVARACBQKBBNR-VQIMIIECSA-N 2 1 395.385 3.817 20 0 GHADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(I)cc1 ZINC000479555254 868046139 /nfs/dbraw/zinc/04/61/39/868046139.db2.gz NUVBRTUWOULTJP-NVPAJSRCSA-N 2 1 384.305 3.959 20 0 GHADMP C[C@H](CCc1cccc(F)c1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156918059 868501325 /nfs/dbraw/zinc/50/13/25/868501325.db2.gz XQYJHRPAONGFCH-GCJKJVERSA-N 2 1 397.538 3.634 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000457664312 868599655 /nfs/dbraw/zinc/59/96/55/868599655.db2.gz UQNFHVOEQQVIGD-HYBUGGRVSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000457664312 868599665 /nfs/dbraw/zinc/59/96/65/868599665.db2.gz UQNFHVOEQQVIGD-HYBUGGRVSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000457664312 868599672 /nfs/dbraw/zinc/59/96/72/868599672.db2.gz UQNFHVOEQQVIGD-HYBUGGRVSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@]4(C3)CCC[NH+](C)C4)cc2)C1 ZINC000457648349 868610491 /nfs/dbraw/zinc/61/04/91/868610491.db2.gz JYADDRVAHFSMFU-GBXCKJPGSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)C1 ZINC000457648349 868610494 /nfs/dbraw/zinc/61/04/94/868610494.db2.gz JYADDRVAHFSMFU-GBXCKJPGSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)C1 ZINC000457648349 868610499 /nfs/dbraw/zinc/61/04/99/868610499.db2.gz JYADDRVAHFSMFU-GBXCKJPGSA-N 2 1 398.595 3.546 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000157503583 868671035 /nfs/dbraw/zinc/67/10/35/868671035.db2.gz RTKLFGCYYIPTFU-JOCHJYFZSA-N 2 1 393.575 3.818 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCCN2CCCC2=O)CC1 ZINC000535406214 868701573 /nfs/dbraw/zinc/70/15/73/868701573.db2.gz HCNMESLLPBKWRX-UHFFFAOYSA-N 2 1 397.485 3.614 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000535406214 868701580 /nfs/dbraw/zinc/70/15/80/868701580.db2.gz HCNMESLLPBKWRX-UHFFFAOYSA-N 2 1 397.485 3.614 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000535406214 868701586 /nfs/dbraw/zinc/70/15/86/868701586.db2.gz HCNMESLLPBKWRX-UHFFFAOYSA-N 2 1 397.485 3.614 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000524289017 868832573 /nfs/dbraw/zinc/83/25/73/868832573.db2.gz YSSRSDADILGEMS-ZRCGQRJVSA-N 2 1 398.595 3.544 20 0 GHADMP Brc1cc(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000394586932 882263776 /nfs/dbraw/zinc/26/37/76/882263776.db2.gz WRCDWOMNIOILPI-NSHDSACASA-N 2 1 388.147 3.786 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000539491488 869232710 /nfs/dbraw/zinc/23/27/10/869232710.db2.gz PVWQBVNNXONFDQ-RUZDIDTESA-N 2 1 391.559 3.770 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(OC(C)(C)C)n3)CC2)C[C@H](C)O1 ZINC000508857758 869504883 /nfs/dbraw/zinc/50/48/83/869504883.db2.gz FCVDQJTYSUSTRY-HDICACEKSA-N 2 1 375.557 3.580 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC[N@H+](Cc2ccccc2)C1 ZINC000532376554 882307153 /nfs/dbraw/zinc/30/71/53/882307153.db2.gz SCXNIYLKGSUIGP-JOCHJYFZSA-N 2 1 381.907 3.615 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000532376554 882307169 /nfs/dbraw/zinc/30/71/69/882307169.db2.gz SCXNIYLKGSUIGP-JOCHJYFZSA-N 2 1 381.907 3.615 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000524857461 869655282 /nfs/dbraw/zinc/65/52/82/869655282.db2.gz QMPORZQEXXZUMM-OAHLLOKOSA-N 2 1 387.355 3.873 20 0 GHADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418110256 869756985 /nfs/dbraw/zinc/75/69/85/869756985.db2.gz WBHUVVMGAYNIML-NFBKMPQASA-N 2 1 394.563 3.631 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nccn3-c3ccccc3)CC2)cs1 ZINC000190999006 882336372 /nfs/dbraw/zinc/33/63/72/882336372.db2.gz ZPLZRUJCIJRLMI-UHFFFAOYSA-N 2 1 395.576 3.893 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)CC1 ZINC000539820180 869849697 /nfs/dbraw/zinc/84/96/97/869849697.db2.gz GFRHBEKTYMRSIM-IBGZPJMESA-N 2 1 376.614 3.791 20 0 GHADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000462690502 869902670 /nfs/dbraw/zinc/90/26/70/869902670.db2.gz IJTPHQUNPYUFRU-BGYRXZFFSA-N 2 1 397.563 3.946 20 0 GHADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000462690502 869902673 /nfs/dbraw/zinc/90/26/73/869902673.db2.gz IJTPHQUNPYUFRU-BGYRXZFFSA-N 2 1 397.563 3.946 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000539861241 869912326 /nfs/dbraw/zinc/91/23/26/869912326.db2.gz GJHMILOPXNGEPO-UHFFFAOYSA-N 2 1 377.532 3.534 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n(C)c1C ZINC000462785645 870075753 /nfs/dbraw/zinc/07/57/53/870075753.db2.gz QTFBWVSPTCNCTG-HDICACEKSA-N 2 1 397.563 3.888 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)CC1 ZINC000462830771 870175314 /nfs/dbraw/zinc/17/53/14/870175314.db2.gz FSWORVYVDFLXEQ-UHFFFAOYSA-N 2 1 377.532 3.582 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000248073021 870280323 /nfs/dbraw/zinc/28/03/23/870280323.db2.gz QRPMRPAAQVNZIG-TUNNFDKTSA-N 2 1 396.535 3.551 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cnn1-c1cc(C)ccc1C ZINC000248148587 870300906 /nfs/dbraw/zinc/30/09/06/870300906.db2.gz QLSOVVKBFJIFJW-FPOVZHCZSA-N 2 1 384.568 3.685 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@@H](C)c2cccs2)CC1)CC1CC1 ZINC000540050442 870306375 /nfs/dbraw/zinc/30/63/75/870306375.db2.gz SOVNHRQKXRGTGJ-KRWDZBQOSA-N 2 1 377.598 3.759 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198486 870314808 /nfs/dbraw/zinc/31/48/08/870314808.db2.gz XVAGQFHBHYXBMD-XLPNERPQSA-N 2 1 398.378 3.975 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198487 870315501 /nfs/dbraw/zinc/31/55/01/870315501.db2.gz XVAGQFHBHYXBMD-XMDUPGNXSA-N 2 1 398.378 3.975 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000446793375 870376836 /nfs/dbraw/zinc/37/68/36/870376836.db2.gz PNAUEPRHXKJHRW-QFIPXVFZSA-N 2 1 393.531 3.815 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000446793375 870376857 /nfs/dbraw/zinc/37/68/57/870376857.db2.gz PNAUEPRHXKJHRW-QFIPXVFZSA-N 2 1 393.531 3.815 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)s1 ZINC000248452041 870430157 /nfs/dbraw/zinc/43/01/57/870430157.db2.gz PRRIQXSSIXYGKB-CZUORRHYSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@H](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCCCC1 ZINC000248481487 870456203 /nfs/dbraw/zinc/45/62/03/870456203.db2.gz IDGBWZCMWHFSGV-WSTZPKSXSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCC1 ZINC000248504934 870462741 /nfs/dbraw/zinc/46/27/41/870462741.db2.gz VUHKHRZKONGUEQ-NJDAHSKKSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560786 870494283 /nfs/dbraw/zinc/49/42/83/870494283.db2.gz JKCNOOMQBBEQSH-BQFCYCMXSA-N 2 1 393.522 3.727 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560786 870494290 /nfs/dbraw/zinc/49/42/90/870494290.db2.gz JKCNOOMQBBEQSH-BQFCYCMXSA-N 2 1 393.522 3.727 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560786 870494298 /nfs/dbraw/zinc/49/42/98/870494298.db2.gz JKCNOOMQBBEQSH-BQFCYCMXSA-N 2 1 393.522 3.727 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1Cl ZINC000248586959 870514644 /nfs/dbraw/zinc/51/46/44/870514644.db2.gz QHZSMJQBGQQFNJ-ULQDDVLXSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1Cl ZINC000248586959 870514684 /nfs/dbraw/zinc/51/46/84/870514684.db2.gz QHZSMJQBGQQFNJ-ULQDDVLXSA-N 2 1 377.960 3.760 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001168789010 870736365 /nfs/dbraw/zinc/73/63/65/870736365.db2.gz HGKKKZONGBEHJH-SGUQUCFKSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001168789010 870736380 /nfs/dbraw/zinc/73/63/80/870736380.db2.gz HGKKKZONGBEHJH-SGUQUCFKSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001168789010 870736387 /nfs/dbraw/zinc/73/63/87/870736387.db2.gz HGKKKZONGBEHJH-SGUQUCFKSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001168789010 870736398 /nfs/dbraw/zinc/73/63/98/870736398.db2.gz HGKKKZONGBEHJH-SGUQUCFKSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001168793912 870760376 /nfs/dbraw/zinc/76/03/76/870760376.db2.gz GSZGGERUXAWHEG-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001168793912 870760392 /nfs/dbraw/zinc/76/03/92/870760392.db2.gz GSZGGERUXAWHEG-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001168793921 870760814 /nfs/dbraw/zinc/76/08/14/870760814.db2.gz GXNMXJCFYQUNCU-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001168793921 870760826 /nfs/dbraw/zinc/76/08/26/870760826.db2.gz GXNMXJCFYQUNCU-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000525482474 870767745 /nfs/dbraw/zinc/76/77/45/870767745.db2.gz UTTXDYXNACCSQP-HXUWFJFHSA-N 2 1 389.927 3.912 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000766461815 870784538 /nfs/dbraw/zinc/78/45/38/870784538.db2.gz UMMHEZVFYXORBJ-FQEVSTJZSA-N 2 1 384.520 3.680 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000766461815 870784557 /nfs/dbraw/zinc/78/45/57/870784557.db2.gz UMMHEZVFYXORBJ-FQEVSTJZSA-N 2 1 384.520 3.680 20 0 GHADMP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000249214537 870791130 /nfs/dbraw/zinc/79/11/30/870791130.db2.gz ZLTXEEBGVFJPKY-PCCBWWKXSA-N 2 1 395.513 3.761 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831278 870886863 /nfs/dbraw/zinc/88/68/63/870886863.db2.gz BNKNXTLJQBPQTD-APWZRJJASA-N 2 1 391.531 3.559 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168837110 870894070 /nfs/dbraw/zinc/89/40/70/870894070.db2.gz ZVBARQNLAMYMGE-CRAIPNDOSA-N 2 1 393.959 3.988 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)CC1 ZINC000122170443 882458087 /nfs/dbraw/zinc/45/80/87/882458087.db2.gz LBTUBTYBSLVGOV-FQEVSTJZSA-N 2 1 389.584 3.701 20 0 GHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001169058383 871146105 /nfs/dbraw/zinc/14/61/05/871146105.db2.gz GZIUDSHEBCRNSJ-HXUWFJFHSA-N 2 1 389.584 3.962 20 0 GHADMP CC(C)C[C@@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001169070328 871156893 /nfs/dbraw/zinc/15/68/93/871156893.db2.gz NKXDITYXFGPYIR-VXKWHMMOSA-N 2 1 396.579 3.795 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449075170 871196491 /nfs/dbraw/zinc/19/64/91/871196491.db2.gz DHKAXXOMEKXWMC-SFHVURJKSA-N 2 1 386.561 3.754 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001169124591 871214865 /nfs/dbraw/zinc/21/48/65/871214865.db2.gz NSXPTRSCNNDSNJ-SIXWZSSISA-N 2 1 381.358 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C1)C2 ZINC001169128284 871217401 /nfs/dbraw/zinc/21/74/01/871217401.db2.gz CECBRHHZIMTRDA-HIHICTBBSA-N 2 1 397.563 3.830 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C1)C2 ZINC001169128284 871217416 /nfs/dbraw/zinc/21/74/16/871217416.db2.gz CECBRHHZIMTRDA-HIHICTBBSA-N 2 1 397.563 3.830 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C1)C2 ZINC001169128284 871217427 /nfs/dbraw/zinc/21/74/27/871217427.db2.gz CECBRHHZIMTRDA-HIHICTBBSA-N 2 1 397.563 3.830 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001169128491 871217568 /nfs/dbraw/zinc/21/75/68/871217568.db2.gz DLSHWRMRBCBZGD-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+](C[C@@H]2CCCCO2)C(C)C)cc1)C1CC1 ZINC000540418661 871231046 /nfs/dbraw/zinc/23/10/46/871231046.db2.gz WHLHWNPCTUEDFG-QFIPXVFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC[NH+](CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1)C1CC1 ZINC000540418661 871231062 /nfs/dbraw/zinc/23/10/62/871231062.db2.gz WHLHWNPCTUEDFG-QFIPXVFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC[NH+](CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)C1CC1 ZINC000540418661 871231079 /nfs/dbraw/zinc/23/10/79/871231079.db2.gz WHLHWNPCTUEDFG-QFIPXVFZSA-N 2 1 387.568 3.889 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169142167 871251831 /nfs/dbraw/zinc/25/18/31/871251831.db2.gz AHAVLWXQXNVYLM-IYWMVGAKSA-N 2 1 377.573 3.723 20 0 GHADMP Cc1cccc(F)c1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000461912554 871257139 /nfs/dbraw/zinc/25/71/39/871257139.db2.gz YGGZNVUHVCWLDA-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000539072762 871258865 /nfs/dbraw/zinc/25/88/65/871258865.db2.gz SKHPVLOOHFYESN-QGZVFWFLSA-N 2 1 389.565 3.749 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001169264654 871330097 /nfs/dbraw/zinc/33/00/97/871330097.db2.gz PGEVKMZYZJVQBV-UHFFFAOYSA-N 3 1 385.596 3.616 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]2C1 ZINC001193954182 871396539 /nfs/dbraw/zinc/39/65/39/871396539.db2.gz IVGKXGIDZGPJOJ-SZPZYZBQSA-N 2 1 399.579 3.971 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462001904 871426585 /nfs/dbraw/zinc/42/65/85/871426585.db2.gz BNRYTISTNQLTJJ-IFMALSPDSA-N 2 1 388.600 3.803 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(SC)ccc1C ZINC000540521819 871484274 /nfs/dbraw/zinc/48/42/74/871484274.db2.gz NJXFDLHQIZWHEU-KRWDZBQOSA-N 2 1 378.586 3.597 20 0 GHADMP CCC[N@H+](Cc1ccc(Cl)c(I)c1)C[C@H]1CC[NH2+]C1 ZINC001236843373 871489187 /nfs/dbraw/zinc/48/91/87/871489187.db2.gz NOICFROQYKYTPS-ZDUSSCGKSA-N 2 1 392.712 3.766 20 0 GHADMP CC(C)[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000539201230 871493537 /nfs/dbraw/zinc/49/35/37/871493537.db2.gz RYRXKBTUUIAFTO-HXUWFJFHSA-N 2 1 399.501 3.935 20 0 GHADMP CC[C@H](C[N@@H+](CC)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001169483880 871534180 /nfs/dbraw/zinc/53/41/80/871534180.db2.gz YEBUMWQRHMULHY-NHCUHLMSSA-N 2 1 394.563 3.634 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462082786 871549443 /nfs/dbraw/zinc/54/94/43/871549443.db2.gz FFGVVZCZVGJLDG-XMMPIXPASA-N 2 1 391.559 3.953 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000462082786 871549458 /nfs/dbraw/zinc/54/94/58/871549458.db2.gz FFGVVZCZVGJLDG-XMMPIXPASA-N 2 1 391.559 3.953 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCCC1)c1ccccc1 ZINC000462080777 871585011 /nfs/dbraw/zinc/58/50/11/871585011.db2.gz OOQUGDBEFXKIQN-SFHVURJKSA-N 2 1 396.535 3.664 20 0 GHADMP CC[C@@H](C)[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000462114763 871639784 /nfs/dbraw/zinc/63/97/84/871639784.db2.gz YIROMSMCHDHITM-HYBUGGRVSA-N 2 1 399.623 3.956 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(SC)c1C ZINC000539310970 871668977 /nfs/dbraw/zinc/66/89/77/871668977.db2.gz ULYWPUDCKGOMHY-QGZVFWFLSA-N 2 1 378.586 3.597 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@@H+](CC)Cc3ccccc3)CC2)CC1 ZINC001169703718 871787641 /nfs/dbraw/zinc/78/76/41/871787641.db2.gz PMSROYVUFOAZQR-NRFANRHFSA-N 2 1 387.568 3.984 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169713466 871801611 /nfs/dbraw/zinc/80/16/11/871801611.db2.gz NTKPNLRKUWRWJY-VABKMULXSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169713466 871801626 /nfs/dbraw/zinc/80/16/26/871801626.db2.gz NTKPNLRKUWRWJY-VABKMULXSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169713466 871801639 /nfs/dbraw/zinc/80/16/39/871801639.db2.gz NTKPNLRKUWRWJY-VABKMULXSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000447543295 871813250 /nfs/dbraw/zinc/81/32/50/871813250.db2.gz RLXPCSBZVGMNPV-JZXOWHBKSA-N 2 1 392.540 3.621 20 0 GHADMP Cc1cccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000092820891 871849410 /nfs/dbraw/zinc/84/94/10/871849410.db2.gz OGPPXAXVSVXQLT-UHFFFAOYSA-N 2 1 380.536 3.875 20 0 GHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000552111088 872034657 /nfs/dbraw/zinc/03/46/57/872034657.db2.gz PSNNDPFEVWQCAN-DEOSSOPVSA-N 2 1 387.531 3.852 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000552111088 872034666 /nfs/dbraw/zinc/03/46/66/872034666.db2.gz PSNNDPFEVWQCAN-DEOSSOPVSA-N 2 1 387.531 3.852 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000552111088 872034681 /nfs/dbraw/zinc/03/46/81/872034681.db2.gz PSNNDPFEVWQCAN-DEOSSOPVSA-N 2 1 387.531 3.852 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000552111088 872034698 /nfs/dbraw/zinc/03/46/98/872034698.db2.gz PSNNDPFEVWQCAN-DEOSSOPVSA-N 2 1 387.531 3.852 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000163052948 872060036 /nfs/dbraw/zinc/06/00/36/872060036.db2.gz PCDSYTJWMGKMFO-LJQANCHMSA-N 2 1 399.539 3.530 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000775622474 872065363 /nfs/dbraw/zinc/06/53/63/872065363.db2.gz WGDRQIMVRGVSGV-NJDAHSKKSA-N 2 1 387.568 3.934 20 0 GHADMP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000775633489 872154812 /nfs/dbraw/zinc/15/48/12/872154812.db2.gz PFZGZKQHXNLDPA-RBUKOAKNSA-N 2 1 382.495 3.984 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000552270851 872333688 /nfs/dbraw/zinc/33/36/88/872333688.db2.gz GBIOPUNLBSPTCL-OAOYMFHYSA-N 2 1 383.458 3.626 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552273763 872366538 /nfs/dbraw/zinc/36/65/38/872366538.db2.gz RQNNONRNDRIPEQ-UHFFFAOYSA-N 2 1 387.531 3.960 20 0 GHADMP COc1ccc(Br)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735012 872371470 /nfs/dbraw/zinc/37/14/70/872371470.db2.gz RLKPNFWBAJJBIC-UHFFFAOYSA-N 2 1 397.357 3.535 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]3c3ccccc3Cl)CC2)CC1 ZINC000619161431 872374142 /nfs/dbraw/zinc/37/41/42/872374142.db2.gz QLWKBPOYCREHQC-PZJWPPBQSA-N 2 1 389.971 3.508 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCCCn3cc[nH+]c3C)c2C)cc1 ZINC000463742721 872465284 /nfs/dbraw/zinc/46/52/84/872465284.db2.gz ZOQHSOWXCMOGCJ-UHFFFAOYSA-N 2 1 381.524 3.632 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]CC3Cc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000552363415 872522271 /nfs/dbraw/zinc/52/22/71/872522271.db2.gz QIFXHIQQNFLVSZ-VWLOTQADSA-N 2 1 390.571 3.920 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000552357668 872550338 /nfs/dbraw/zinc/55/03/38/872550338.db2.gz LYQPIPSBBCHMQI-LJQANCHMSA-N 2 1 378.442 3.809 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000552357668 872550345 /nfs/dbraw/zinc/55/03/45/872550345.db2.gz LYQPIPSBBCHMQI-LJQANCHMSA-N 2 1 378.442 3.809 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000552357668 872550357 /nfs/dbraw/zinc/55/03/57/872550357.db2.gz LYQPIPSBBCHMQI-LJQANCHMSA-N 2 1 378.442 3.809 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447966109 872573590 /nfs/dbraw/zinc/57/35/90/872573590.db2.gz RADABPURSAFBRT-RXVVDRJESA-N 2 1 386.584 3.632 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000541170918 873083951 /nfs/dbraw/zinc/08/39/51/873083951.db2.gz SERBEDBKZWOMGZ-UHFFFAOYSA-N 2 1 379.911 3.612 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000541170918 873083964 /nfs/dbraw/zinc/08/39/64/873083964.db2.gz SERBEDBKZWOMGZ-UHFFFAOYSA-N 2 1 379.911 3.612 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527644582 873394996 /nfs/dbraw/zinc/39/49/96/873394996.db2.gz JFPRGAJBMGFBMX-LBPRGKRZSA-N 2 1 383.359 3.722 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000527647490 873399205 /nfs/dbraw/zinc/39/92/05/873399205.db2.gz IXUULRUIKZVYIL-UHFFFAOYSA-N 2 1 399.279 3.958 20 0 GHADMP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000768680420 873452030 /nfs/dbraw/zinc/45/20/30/873452030.db2.gz ZHMBVQNPFIMOAZ-AQNXPRMDSA-N 2 1 397.604 3.503 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527946247 873791513 /nfs/dbraw/zinc/79/15/13/873791513.db2.gz HFUPLCJZVSYOHD-JXFKEZNVSA-N 2 1 379.570 3.506 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527946247 873791526 /nfs/dbraw/zinc/79/15/26/873791526.db2.gz HFUPLCJZVSYOHD-JXFKEZNVSA-N 2 1 379.570 3.506 20 0 GHADMP CC(C)[PH+](CCNC(=O)c1cccc(CN2CCC[N@@H+](C)CC2)c1)C(C)C ZINC001197521181 873852911 /nfs/dbraw/zinc/85/29/11/873852911.db2.gz RGSNCVKBHGMASX-UHFFFAOYSA-N 2 1 391.540 3.853 20 0 GHADMP CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C(F)(F)F ZINC001197524345 873853709 /nfs/dbraw/zinc/85/37/09/873853709.db2.gz RQTDJEOSTSJRGJ-RTBURBONSA-N 2 1 398.469 3.846 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C(F)(F)F ZINC001197524345 873853719 /nfs/dbraw/zinc/85/37/19/873853719.db2.gz RQTDJEOSTSJRGJ-RTBURBONSA-N 2 1 398.469 3.846 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C(=O)N1CCCC1 ZINC000528015958 873914409 /nfs/dbraw/zinc/91/44/09/873914409.db2.gz MFASWMYCJHFJOY-BHDDXSALSA-N 2 1 383.580 3.668 20 0 GHADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528111535 874035737 /nfs/dbraw/zinc/03/57/37/874035737.db2.gz CLCNYQVXTHDWMX-FGCOXFRFSA-N 2 1 395.591 3.525 20 0 GHADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528111535 874035753 /nfs/dbraw/zinc/03/57/53/874035753.db2.gz CLCNYQVXTHDWMX-FGCOXFRFSA-N 2 1 395.591 3.525 20 0 GHADMP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528111535 874035769 /nfs/dbraw/zinc/03/57/69/874035769.db2.gz CLCNYQVXTHDWMX-FGCOXFRFSA-N 2 1 395.591 3.525 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528150937 874092720 /nfs/dbraw/zinc/09/27/20/874092720.db2.gz GTIMBVBEDBLKGL-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449047053 874414990 /nfs/dbraw/zinc/41/49/90/874414990.db2.gz MQCMIMCHCMWRER-NIKGAXFTSA-N 2 1 375.513 3.633 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449047053 874414998 /nfs/dbraw/zinc/41/49/98/874414998.db2.gz MQCMIMCHCMWRER-NIKGAXFTSA-N 2 1 375.513 3.633 20 0 GHADMP CC(C)[C@@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC000449078648 874462579 /nfs/dbraw/zinc/46/25/79/874462579.db2.gz MGXFJYYFHBMIDR-WIYYLYMNSA-N 2 1 380.598 3.540 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449098959 874470925 /nfs/dbraw/zinc/47/09/25/874470925.db2.gz LMIXJHJZSRZTOY-OAQYLSRUSA-N 2 1 393.575 3.720 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc2ccccc21 ZINC000449233427 874622657 /nfs/dbraw/zinc/62/26/57/874622657.db2.gz LNXIQNPMYPLWHD-QFIPXVFZSA-N 2 1 376.500 3.705 20 0 GHADMP COc1cccc2c(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)cccc12 ZINC000449232855 874624420 /nfs/dbraw/zinc/62/44/20/874624420.db2.gz JHQKMJKNEICWAG-OAQYLSRUSA-N 2 1 376.500 3.705 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000449295987 874684238 /nfs/dbraw/zinc/68/42/38/874684238.db2.gz WQQQOVYMFSOSDK-WOJBJXKFSA-N 2 1 391.559 3.603 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000528560446 874706053 /nfs/dbraw/zinc/70/60/53/874706053.db2.gz JNTVVZWPYHSSMP-DHIUTWEWSA-N 2 1 385.596 3.581 20 0 GHADMP COc1nccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000449414160 874807373 /nfs/dbraw/zinc/80/73/73/874807373.db2.gz LJZIYYLNZFSRGC-NRFANRHFSA-N 2 1 380.536 3.608 20 0 GHADMP C[C@H]1C(=O)N(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1ccccc1 ZINC000770651554 874825045 /nfs/dbraw/zinc/82/50/45/874825045.db2.gz PBSSVSCMYDFMFU-AUSIDOKSSA-N 2 1 392.547 3.797 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001129486937 882882128 /nfs/dbraw/zinc/88/21/28/882882128.db2.gz RCPLRTCJRHUIRJ-OFNKIYASSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486937 882882148 /nfs/dbraw/zinc/88/21/48/882882148.db2.gz RCPLRTCJRHUIRJ-OFNKIYASSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486937 882882163 /nfs/dbraw/zinc/88/21/63/882882163.db2.gz RCPLRTCJRHUIRJ-OFNKIYASSA-N 2 1 389.559 3.617 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC001199842949 875202816 /nfs/dbraw/zinc/20/28/16/875202816.db2.gz KDILSOAUYHVIIF-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC001199842949 875202822 /nfs/dbraw/zinc/20/28/22/875202822.db2.gz KDILSOAUYHVIIF-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000105456844 875298740 /nfs/dbraw/zinc/29/87/40/875298740.db2.gz XJHXTGLWYYSMAS-LJQANCHMSA-N 2 1 383.536 3.879 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000105456844 875298746 /nfs/dbraw/zinc/29/87/46/875298746.db2.gz XJHXTGLWYYSMAS-LJQANCHMSA-N 2 1 383.536 3.879 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000105456643 875298898 /nfs/dbraw/zinc/29/88/98/875298898.db2.gz AWDAEKRKHCZSDT-HNNXBMFYSA-N 2 1 379.342 3.935 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000449771833 875370908 /nfs/dbraw/zinc/37/09/08/875370908.db2.gz KDGLRLJMQHYJSG-JLMDMGSGSA-N 2 1 394.563 3.531 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000449809709 875454881 /nfs/dbraw/zinc/45/48/81/875454881.db2.gz HXTOSQRPXJIRTD-XMMPIXPASA-N 2 1 395.591 3.833 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000449809709 875454896 /nfs/dbraw/zinc/45/48/96/875454896.db2.gz HXTOSQRPXJIRTD-XMMPIXPASA-N 2 1 395.591 3.833 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000449809709 875454905 /nfs/dbraw/zinc/45/49/05/875454905.db2.gz HXTOSQRPXJIRTD-XMMPIXPASA-N 2 1 395.591 3.833 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC001201424434 875681820 /nfs/dbraw/zinc/68/18/20/875681820.db2.gz QRVWZUKPOXGILA-INIZCTEOSA-N 2 1 399.004 3.942 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000529189382 875771324 /nfs/dbraw/zinc/77/13/24/875771324.db2.gz YURBJXZTRIKUFJ-FYYLOGMGSA-N 2 1 383.580 3.525 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(Nc3ccccc3C[NH+]3CCCCC3)cc2)CC1 ZINC001201612778 875788788 /nfs/dbraw/zinc/78/87/88/875788788.db2.gz UCENYQDFZUGUSD-UHFFFAOYSA-N 2 1 392.547 3.804 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](CCCc4ccccc4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001201664545 875822488 /nfs/dbraw/zinc/82/24/88/875822488.db2.gz SXFQJLDSSAFTLM-SGNDLWITSA-N 2 1 378.564 3.691 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](CCCc4ccccc4)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001201664545 875822494 /nfs/dbraw/zinc/82/24/94/875822494.db2.gz SXFQJLDSSAFTLM-SGNDLWITSA-N 2 1 378.564 3.691 20 0 GHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450191846 876056763 /nfs/dbraw/zinc/05/67/63/876056763.db2.gz HMQOPLKEKVBKRI-PGRDOPGGSA-N 2 1 384.568 3.520 20 0 GHADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000475744039 883012451 /nfs/dbraw/zinc/01/24/51/883012451.db2.gz ACTGBUUXYLMMND-SQNIBIBYSA-N 2 1 375.582 3.540 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC(F)(F)C1 ZINC000529585381 876359813 /nfs/dbraw/zinc/35/98/13/876359813.db2.gz GFKCJAYQDXFOEW-FXAWDEMLSA-N 2 1 378.507 3.939 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000450648899 876728060 /nfs/dbraw/zinc/72/80/60/876728060.db2.gz YVWYMWOTOVUAOC-UHFFFAOYSA-N 2 1 387.911 3.870 20 0 GHADMP CCOc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000537660890 883058662 /nfs/dbraw/zinc/05/86/62/883058662.db2.gz JJZJDRIWQLGFLO-KDURUIRLSA-N 2 1 390.568 3.805 20 0 GHADMP C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000850418021 876899089 /nfs/dbraw/zinc/89/90/89/876899089.db2.gz VQRVTHMMJZSVCZ-QGZVFWFLSA-N 2 1 393.547 3.678 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850422104 876904692 /nfs/dbraw/zinc/90/46/92/876904692.db2.gz FPDYQUGPLHDNSA-APWZRJJASA-N 2 1 397.485 3.876 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850476433 876954453 /nfs/dbraw/zinc/95/44/53/876954453.db2.gz KKIZCSXZWZAINN-GOSISDBHSA-N 2 1 385.474 3.590 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836328 876954782 /nfs/dbraw/zinc/95/47/82/876954782.db2.gz MZGCZHJNIQQLSR-SFYKDHMMSA-N 2 1 392.547 3.777 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836328 876954791 /nfs/dbraw/zinc/95/47/91/876954791.db2.gz MZGCZHJNIQQLSR-SFYKDHMMSA-N 2 1 392.547 3.777 20 0 GHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850573134 877038098 /nfs/dbraw/zinc/03/80/98/877038098.db2.gz JJIVMLUNRVHMHG-ACRUOGEOSA-N 2 1 380.960 3.631 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134910241 883103998 /nfs/dbraw/zinc/10/39/98/883103998.db2.gz GMAFYYWVPHKTHB-JCTONOIOSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134910241 883104006 /nfs/dbraw/zinc/10/40/06/883104006.db2.gz GMAFYYWVPHKTHB-JCTONOIOSA-N 2 1 380.532 3.528 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000477247742 877294149 /nfs/dbraw/zinc/29/41/49/877294149.db2.gz JVIIBDYIVGFCPR-IBGZPJMESA-N 2 1 392.588 3.562 20 0 GHADMP CCc1ccc([C@H](CC(C)C)[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000530223467 877309629 /nfs/dbraw/zinc/30/96/29/877309629.db2.gz KEDLNTIPZHNNII-VABKMULXSA-N 2 1 398.595 3.556 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000530242805 877353931 /nfs/dbraw/zinc/35/39/31/877353931.db2.gz PBHJFVXJIWWDKB-OAHLLOKOSA-N 2 1 376.850 3.949 20 0 GHADMP COC(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(Br)c1 ZINC000551556083 877428464 /nfs/dbraw/zinc/42/84/64/877428464.db2.gz CKYMEVCTWMHDHW-UHFFFAOYSA-N 2 1 391.309 3.587 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000642638538 912237370 /nfs/dbraw/zinc/23/73/70/912237370.db2.gz BPUOPIHZIFJPEE-QHCPKHFHSA-N 2 1 394.563 3.645 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175645687 877819928 /nfs/dbraw/zinc/81/99/28/877819928.db2.gz PHMYXZPKVYJFAJ-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000615583158 877899995 /nfs/dbraw/zinc/89/99/95/877899995.db2.gz MQRDAHYOCPFBTM-PMACEKPBSA-N 2 1 386.584 3.957 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084536 878056238 /nfs/dbraw/zinc/05/62/38/878056238.db2.gz BQVMQOOOVCKCCB-RTBURBONSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084536 878056249 /nfs/dbraw/zinc/05/62/49/878056249.db2.gz BQVMQOOOVCKCCB-RTBURBONSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084536 878056257 /nfs/dbraw/zinc/05/62/57/878056257.db2.gz BQVMQOOOVCKCCB-RTBURBONSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084536 878056272 /nfs/dbraw/zinc/05/62/72/878056272.db2.gz BQVMQOOOVCKCCB-RTBURBONSA-N 2 1 378.582 3.886 20 0 GHADMP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)ccc1F ZINC000530584768 878108053 /nfs/dbraw/zinc/10/80/53/878108053.db2.gz XMVVJVYMRPNKGA-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534186 878154876 /nfs/dbraw/zinc/15/48/76/878154876.db2.gz MXTCDWBUMYPBKB-HKUYNNGSSA-N 2 1 377.960 3.667 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+]([C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534186 878154888 /nfs/dbraw/zinc/15/48/88/878154888.db2.gz MXTCDWBUMYPBKB-HKUYNNGSSA-N 2 1 377.960 3.667 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000537721587 878192714 /nfs/dbraw/zinc/19/27/14/878192714.db2.gz JFEQNMDZRYXKJG-RTBURBONSA-N 2 1 397.485 3.785 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc4[nH]c5c(c4c3)C[N@H+](C)CC5)ccc21 ZINC000615873347 878241854 /nfs/dbraw/zinc/24/18/54/878241854.db2.gz KSMJPACSEANFHG-QHCPKHFHSA-N 2 1 388.515 3.957 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc4[nH]c5c(c4c3)C[N@@H+](C)CC5)ccc21 ZINC000615873347 878241861 /nfs/dbraw/zinc/24/18/61/878241861.db2.gz KSMJPACSEANFHG-QHCPKHFHSA-N 2 1 388.515 3.957 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000530710734 878326108 /nfs/dbraw/zinc/32/61/08/878326108.db2.gz AIBJYYJDLAYITF-UHFFFAOYSA-N 2 1 395.538 3.916 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(OC(F)F)c1 ZINC000530710734 878326124 /nfs/dbraw/zinc/32/61/24/878326124.db2.gz AIBJYYJDLAYITF-UHFFFAOYSA-N 3 1 395.538 3.916 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(OC(F)F)c1 ZINC000530710734 878326144 /nfs/dbraw/zinc/32/61/44/878326144.db2.gz AIBJYYJDLAYITF-UHFFFAOYSA-N 3 1 395.538 3.916 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460648940 878327763 /nfs/dbraw/zinc/32/77/63/878327763.db2.gz NJNBOYJLTODZMK-SFTDATJTSA-N 2 1 392.632 3.937 20 0 GHADMP C(CCCC[NH+]1CC[C@H]2COC[C@@H]2C1)CCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664758 878500658 /nfs/dbraw/zinc/50/06/58/878500658.db2.gz CUBHRCOSRMUTMJ-BJESRGMDSA-N 2 1 378.601 3.654 20 0 GHADMP C(CCCC[NH+]1CC[C@@H]2COC[C@@H]2C1)CCCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852664758 878500676 /nfs/dbraw/zinc/50/06/76/878500676.db2.gz CUBHRCOSRMUTMJ-BJESRGMDSA-N 2 1 378.601 3.654 20 0 GHADMP C(CCCC[NH+]1CC[C@@H]2COC[C@@H]2C1)CCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852664758 878500688 /nfs/dbraw/zinc/50/06/88/878500688.db2.gz CUBHRCOSRMUTMJ-BJESRGMDSA-N 2 1 378.601 3.654 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](O)CC(C)(C)C3)c2)C1 ZINC000451810470 878501209 /nfs/dbraw/zinc/50/12/09/878501209.db2.gz NZYZOSBRXGDMDW-VXKWHMMOSA-N 2 1 388.596 3.652 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C[NH+]1CCCC1 ZINC000616064934 878502944 /nfs/dbraw/zinc/50/29/44/878502944.db2.gz MIBUCVBHWAUYPQ-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP c1cc2c(s1)CCN(CC[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000245757242 878550151 /nfs/dbraw/zinc/55/01/51/878550151.db2.gz VCEGHGMBGOGBCV-KOUNCHBCSA-N 2 1 381.589 3.891 20 0 GHADMP COC(=O)COc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245781620 878590183 /nfs/dbraw/zinc/59/01/83/878590183.db2.gz YZDMNQGCNIOYMP-KOUNCHBCSA-N 2 1 394.515 3.524 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](C)C1 ZINC000530821863 878592144 /nfs/dbraw/zinc/59/21/44/878592144.db2.gz WJHSEBDIMJHXGO-QPPBQGQZSA-N 2 1 393.575 3.878 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](C)C1 ZINC000530821863 878592155 /nfs/dbraw/zinc/59/21/55/878592155.db2.gz WJHSEBDIMJHXGO-QPPBQGQZSA-N 2 1 393.575 3.878 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000180176458 878614900 /nfs/dbraw/zinc/61/49/00/878614900.db2.gz DKPUNIIFYQIYCA-OALUTQOASA-N 2 1 399.539 3.749 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC(=O)N([C@H]4C[C@@H]4c4ccccc4)C3)CC2)C1 ZINC000537984786 878623645 /nfs/dbraw/zinc/62/36/45/878623645.db2.gz JEEJKBPICLYFAD-MWFZDGHISA-N 2 1 395.591 3.776 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000152468711 878639974 /nfs/dbraw/zinc/63/99/74/878639974.db2.gz UFGCFDGJLRZVCG-XLIONFOSSA-N 2 1 393.597 3.978 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000152468711 878639985 /nfs/dbraw/zinc/63/99/85/878639985.db2.gz UFGCFDGJLRZVCG-XLIONFOSSA-N 2 1 393.597 3.978 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000177437364 878704660 /nfs/dbraw/zinc/70/46/60/878704660.db2.gz GPVJZUYYOSGXKS-JOCHJYFZSA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000177437364 878704674 /nfs/dbraw/zinc/70/46/74/878704674.db2.gz GPVJZUYYOSGXKS-JOCHJYFZSA-N 2 1 387.543 3.703 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CCN(Cc3nc(C(C)(C)C)cs3)CC2)C[C@H](C)O1 ZINC000538045334 878755900 /nfs/dbraw/zinc/75/59/00/878755900.db2.gz QCOMUVOQYXEHLB-CALCHBBNSA-N 2 1 395.613 3.531 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CCN(Cc3nc(C(C)(C)C)cs3)CC2)C[C@H](C)O1 ZINC000538045334 878755912 /nfs/dbraw/zinc/75/59/12/878755912.db2.gz QCOMUVOQYXEHLB-CALCHBBNSA-N 2 1 395.613 3.531 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245930237 878768256 /nfs/dbraw/zinc/76/82/56/878768256.db2.gz IECGYPKFWMVYKO-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000245930237 878768268 /nfs/dbraw/zinc/76/82/68/878768268.db2.gz IECGYPKFWMVYKO-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000245930237 878768280 /nfs/dbraw/zinc/76/82/80/878768280.db2.gz IECGYPKFWMVYKO-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)CC1 ZINC000538068711 878792650 /nfs/dbraw/zinc/79/26/50/878792650.db2.gz UHNCWMFPFMQRBH-UHFFFAOYSA-N 2 1 380.621 3.650 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000246026295 878867490 /nfs/dbraw/zinc/86/74/90/878867490.db2.gz WYECTCZGEWWKQC-QKLQHJQFSA-N 2 1 376.516 3.909 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000177877141 878900771 /nfs/dbraw/zinc/90/07/71/878900771.db2.gz UJCSIQHXPFZMKK-PMACEKPBSA-N 2 1 386.584 3.633 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000285703432 912398786 /nfs/dbraw/zinc/39/87/86/912398786.db2.gz PFRJRZCNEZIGNA-YFNKSVMNSA-N 2 1 397.607 3.914 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccco1 ZINC000461010024 878959922 /nfs/dbraw/zinc/95/99/22/878959922.db2.gz XZPDXBATZYLPDZ-LPHOPBHVSA-N 2 1 399.539 3.512 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)C1CC[NH+](C)CC1 ZINC000180603225 879075804 /nfs/dbraw/zinc/07/58/04/879075804.db2.gz JQRBUZRGOAHANG-GGAORHGYSA-N 2 1 397.563 3.898 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)n1 ZINC000643031721 912419982 /nfs/dbraw/zinc/41/99/82/912419982.db2.gz WORPNBNLEDVNIR-FUHWJXTLSA-N 2 1 393.560 3.608 20 0 GHADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CCC3)cc1 ZINC000178520836 879138085 /nfs/dbraw/zinc/13/80/85/879138085.db2.gz FIUMSYWULFNRHX-IBGZPJMESA-N 2 1 385.577 3.932 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000531167204 879250509 /nfs/dbraw/zinc/25/05/09/879250509.db2.gz HGEWSDCDGFDEEP-UHFFFAOYSA-N 2 1 399.966 3.800 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1F ZINC000774619882 912449245 /nfs/dbraw/zinc/44/92/45/912449245.db2.gz LCVHVOUXDMJXCH-LJQANCHMSA-N 2 1 377.822 3.936 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000246374775 879474133 /nfs/dbraw/zinc/47/41/33/879474133.db2.gz MDQGJNBLIWLKGF-SJBKTWHCSA-N 2 1 386.584 3.585 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)N2CCOCC2)o1 ZINC000246385659 879494137 /nfs/dbraw/zinc/49/41/37/879494137.db2.gz AGSLWAGHDQUISP-QIJUGHKUSA-N 2 1 389.584 3.594 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(I)ccc2Cl)CCC[C@H]1C[NH3+] ZINC001206037743 879532355 /nfs/dbraw/zinc/53/23/55/879532355.db2.gz WRBQVIRGCMLCLR-RYUDHWBXSA-N 2 1 392.712 3.751 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246480369 879603414 /nfs/dbraw/zinc/60/34/14/879603414.db2.gz GMAFYYWVPHKTHB-SSPYTLHUSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246480369 879603422 /nfs/dbraw/zinc/60/34/22/879603422.db2.gz GMAFYYWVPHKTHB-SSPYTLHUSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246480369 879603429 /nfs/dbraw/zinc/60/34/29/879603429.db2.gz GMAFYYWVPHKTHB-SSPYTLHUSA-N 2 1 380.532 3.528 20 0 GHADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790364013 879630912 /nfs/dbraw/zinc/63/09/12/879630912.db2.gz CVWKHMRHMMKCMV-AVCGJXAMSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790364013 879630916 /nfs/dbraw/zinc/63/09/16/879630916.db2.gz CVWKHMRHMMKCMV-AVCGJXAMSA-N 2 1 383.536 3.642 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000531345548 879665999 /nfs/dbraw/zinc/66/59/99/879665999.db2.gz GMLYGWOBFWYJIB-UHFFFAOYSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(CN1C[C@@]2(CN3CCC2CC3)OC1=O)C1CC1 ZINC000790370076 879672271 /nfs/dbraw/zinc/67/22/71/879672271.db2.gz NXWJRUBGSLHPFW-QVKFZJNVSA-N 2 1 389.927 3.740 20 0 GHADMP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H]1c1cccc3ccccc31)C[NH+]1CCC2CC1 ZINC000790373214 879676875 /nfs/dbraw/zinc/67/68/75/879676875.db2.gz VUJQGKAKRWHDCG-ISKFKSNPSA-N 2 1 391.515 3.851 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000246577789 879697146 /nfs/dbraw/zinc/69/71/46/879697146.db2.gz WNCHFRUITDJLEP-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP COC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000493917146 879717029 /nfs/dbraw/zinc/71/70/29/879717029.db2.gz PHRSVCLHZMLKSV-HJNYFJLDSA-N 2 1 388.939 3.500 20 0 GHADMP COC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000493917146 879717032 /nfs/dbraw/zinc/71/70/32/879717032.db2.gz PHRSVCLHZMLKSV-HJNYFJLDSA-N 2 1 388.939 3.500 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(OCc4ccccc4)C3)c2)CCO1 ZINC000493937967 879749074 /nfs/dbraw/zinc/74/90/74/879749074.db2.gz UYPZHWULUVFDNB-HLJPNSHOSA-N 2 1 380.532 3.745 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(OCc4ccccc4)C3)c2)CCO1 ZINC000493937967 879749084 /nfs/dbraw/zinc/74/90/84/879749084.db2.gz UYPZHWULUVFDNB-HLJPNSHOSA-N 2 1 380.532 3.745 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000790464851 879769268 /nfs/dbraw/zinc/76/92/68/879769268.db2.gz ZVSPZUOSMRPWSV-FQEVSTJZSA-N 2 1 387.568 3.889 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC000247057120 879902724 /nfs/dbraw/zinc/90/27/24/879902724.db2.gz MKJUHQSXQLWCII-JXFKEZNVSA-N 2 1 394.401 3.733 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)[C@H](C)C1 ZINC000247142927 879929686 /nfs/dbraw/zinc/92/96/86/879929686.db2.gz SJIQJXXKZVLHQR-GGPKGHCWSA-N 2 1 378.557 3.800 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCSc1cc(Cl)ccc1Cl ZINC000182967548 880045597 /nfs/dbraw/zinc/04/55/97/880045597.db2.gz JTJDRVZPXXSEIS-UHFFFAOYSA-N 2 1 376.397 3.655 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)N2CCOCC2)o1 ZINC000531690315 880294024 /nfs/dbraw/zinc/29/40/24/880294024.db2.gz YRWAZTBAVXWWIX-COPCDDAFSA-N 2 1 389.584 3.594 20 0 GHADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000531758990 880398079 /nfs/dbraw/zinc/39/80/79/880398079.db2.gz GFMJKYZHIGYFEV-GOTSBHOMSA-N 2 1 395.547 3.518 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000453085146 880442940 /nfs/dbraw/zinc/44/29/40/880442940.db2.gz FPPDSWOAABIBOC-HSZRJFAPSA-N 2 1 383.536 3.812 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453095848 880461440 /nfs/dbraw/zinc/46/14/40/880461440.db2.gz VCPXAQNLOHAUME-ZRBLBEILSA-N 2 1 383.580 3.666 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOCC3CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453111644 880482053 /nfs/dbraw/zinc/48/20/53/880482053.db2.gz CJHADXCOXWEFHT-SGNDLWITSA-N 2 1 386.580 3.853 20 0 GHADMP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cc2)CC1 ZINC000776807823 880506995 /nfs/dbraw/zinc/50/69/95/880506995.db2.gz YPFZGVYZYXFYEH-GBXCKJPGSA-N 2 1 393.579 3.546 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3C[C@@H](C)n4ccnc43)cc2)C[C@H]1C ZINC000453164392 880562998 /nfs/dbraw/zinc/56/29/98/880562998.db2.gz NVVCUMCKQLLVFY-VQQMMKBISA-N 2 1 382.552 3.688 20 0 GHADMP C[C@H]1CCC[C@](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)(N(C)C)C1 ZINC000531851519 880605677 /nfs/dbraw/zinc/60/56/77/880605677.db2.gz LZWVNMKHHCDGPV-RDPSFJRHSA-N 2 1 386.628 3.817 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCO1 ZINC000453220476 880639245 /nfs/dbraw/zinc/63/92/45/880639245.db2.gz UEZLGFNANJIPMU-MSNJVRRCSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCO1 ZINC000453220476 880639249 /nfs/dbraw/zinc/63/92/49/880639249.db2.gz UEZLGFNANJIPMU-MSNJVRRCSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCO1 ZINC000453220476 880639255 /nfs/dbraw/zinc/63/92/55/880639255.db2.gz UEZLGFNANJIPMU-MSNJVRRCSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453333456 880801155 /nfs/dbraw/zinc/80/11/55/880801155.db2.gz GWKZCZICURBRFY-LSUHJGNXSA-N 2 1 391.559 3.519 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453333456 880801167 /nfs/dbraw/zinc/80/11/67/880801167.db2.gz GWKZCZICURBRFY-LSUHJGNXSA-N 2 1 391.559 3.519 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@@H]2CCC[C@@H]21 ZINC000453334986 880805959 /nfs/dbraw/zinc/80/59/59/880805959.db2.gz FCLJRFAUVFATSI-UCKNYWNBSA-N 2 1 386.490 3.606 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1OC ZINC000532016122 880930980 /nfs/dbraw/zinc/93/09/80/880930980.db2.gz SQBGFQYBOSGSTL-RTWAWAEBSA-N 2 1 390.568 3.732 20 0 GHADMP C[NH+]1CCC(c2ccc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001183569945 912639643 /nfs/dbraw/zinc/63/96/43/912639643.db2.gz WASMFPIQASUYIG-JOCHJYFZSA-N 2 1 377.532 3.956 20 0 GHADMP C[NH+](C)C1CCC([N@@H+](CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 ZINC001168330688 881142389 /nfs/dbraw/zinc/14/23/89/881142389.db2.gz VVQUSNCNQJBSQT-UHFFFAOYSA-N 2 1 375.557 3.886 20 0 GHADMP C[N@@H+](CCSCc1ccccc1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001170185319 881198909 /nfs/dbraw/zinc/19/89/09/881198909.db2.gz XXNDVMVGQRDUAF-UHFFFAOYSA-N 2 1 383.605 3.669 20 0 GHADMP FC(F)(F)COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000187570201 881232447 /nfs/dbraw/zinc/23/24/47/881232447.db2.gz QHTQXZUDYJZQJI-UHFFFAOYSA-N 2 1 393.453 3.819 20 0 GHADMP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499140232 881245470 /nfs/dbraw/zinc/24/54/70/881245470.db2.gz GSUGOLDULDKIDZ-JBXUNAHCSA-N 2 1 377.576 3.945 20 0 GHADMP C[NH+](C)C[C@@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499140235 881245651 /nfs/dbraw/zinc/24/56/51/881245651.db2.gz GSUGOLDULDKIDZ-ZKGSSEMHSA-N 2 1 377.576 3.945 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCN(C)[C@H](c4ccccc4)C3)CC2)oc1C ZINC000551049833 883171738 /nfs/dbraw/zinc/17/17/38/883171738.db2.gz BSMLONYMXXMQJA-GOTSBHOMSA-N 2 1 396.579 3.929 20 0 GHADMP Fc1ccc(Cl)c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211910535 883334460 /nfs/dbraw/zinc/33/44/60/883334460.db2.gz FUUANHKGJUXRIY-QGZVFWFLSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc(Cl)c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211910535 883334466 /nfs/dbraw/zinc/33/44/66/883334466.db2.gz FUUANHKGJUXRIY-QGZVFWFLSA-N 2 1 398.869 3.718 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000193737845 883459494 /nfs/dbraw/zinc/45/94/94/883459494.db2.gz XXUBGJFABVLYNX-QGZVFWFLSA-N 2 1 385.939 3.903 20 0 GHADMP Fc1cc(Cl)ccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910775 883477771 /nfs/dbraw/zinc/47/77/71/883477771.db2.gz LKROLOZGMFPRAN-QGZVFWFLSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1cc(Cl)ccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910775 883477778 /nfs/dbraw/zinc/47/77/78/883477778.db2.gz LKROLOZGMFPRAN-QGZVFWFLSA-N 2 1 398.869 3.718 20 0 GHADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476983343 883500712 /nfs/dbraw/zinc/50/07/12/883500712.db2.gz KZBWDIALKRDAQI-MOPGFXCFSA-N 2 1 389.559 3.807 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000542503189 883666566 /nfs/dbraw/zinc/66/65/66/883666566.db2.gz RMEIOJUUUYXMEM-HXUWFJFHSA-N 2 1 385.596 3.915 20 0 GHADMP Cc1ccc(Cl)c(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211911582 883816877 /nfs/dbraw/zinc/81/68/77/883816877.db2.gz RNYFKISNBOUTSW-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccc(Cl)c(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211911582 883816897 /nfs/dbraw/zinc/81/68/97/883816897.db2.gz RNYFKISNBOUTSW-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000043859974 884113972 /nfs/dbraw/zinc/11/39/72/884113972.db2.gz FPXHPZQEVAIJNX-FQEVSTJZSA-N 2 1 386.584 3.523 20 0 GHADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000556234587 884187287 /nfs/dbraw/zinc/18/72/87/884187287.db2.gz SLBXNOGWKLSDFV-GOSISDBHSA-N 2 1 398.595 3.756 20 0 GHADMP Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)s1 ZINC000542534252 884396306 /nfs/dbraw/zinc/39/63/06/884396306.db2.gz ZDRPPDWWQNUXEA-ZWOKBUDYSA-N 2 1 385.577 3.795 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)cc1 ZINC001130549781 884437341 /nfs/dbraw/zinc/43/73/41/884437341.db2.gz HXDKBXLCEBBHSR-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)cc1 ZINC001130549781 884437353 /nfs/dbraw/zinc/43/73/53/884437353.db2.gz HXDKBXLCEBBHSR-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2Cc2ccccc2)cc1 ZINC001130549781 884437366 /nfs/dbraw/zinc/43/73/66/884437366.db2.gz HXDKBXLCEBBHSR-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)cc1 ZINC001130549781 884437372 /nfs/dbraw/zinc/43/73/72/884437372.db2.gz HXDKBXLCEBBHSR-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)cc1 ZINC001130549781 884437386 /nfs/dbraw/zinc/43/73/86/884437386.db2.gz HXDKBXLCEBBHSR-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP CC[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000044277030 884811444 /nfs/dbraw/zinc/81/14/44/884811444.db2.gz CBJXYWZKMTVPMV-QFIPXVFZSA-N 2 1 380.536 3.707 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000106388357 885050988 /nfs/dbraw/zinc/05/09/88/885050988.db2.gz HTYQSQHBJZOVNT-NOZRDPDXSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000106388357 885051005 /nfs/dbraw/zinc/05/10/05/885051005.db2.gz HTYQSQHBJZOVNT-NOZRDPDXSA-N 2 1 396.575 3.878 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)CC1 ZINC000556496738 885149174 /nfs/dbraw/zinc/14/91/74/885149174.db2.gz DNSYVLLUWDNKEZ-DQEYMECFSA-N 2 1 399.623 3.721 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532446384 885480978 /nfs/dbraw/zinc/48/09/78/885480978.db2.gz SLTZQVCJJUBBFU-IBGZPJMESA-N 2 1 379.552 3.610 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000550605643 885481755 /nfs/dbraw/zinc/48/17/55/885481755.db2.gz RJGCKSBGFRPCLI-KMDXXIMOSA-N 2 1 397.538 3.624 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000550605643 885481760 /nfs/dbraw/zinc/48/17/60/885481760.db2.gz RJGCKSBGFRPCLI-KMDXXIMOSA-N 2 1 397.538 3.624 20 0 GHADMP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000495368924 885541874 /nfs/dbraw/zinc/54/18/74/885541874.db2.gz MAPRPPCXQWBRTD-IRFCIJBXSA-N 2 1 395.547 3.913 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000495420383 885747840 /nfs/dbraw/zinc/74/78/40/885747840.db2.gz HMYRUJIBDMDSHT-LPHOPBHVSA-N 2 1 398.389 3.588 20 0 GHADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000108709640 885885861 /nfs/dbraw/zinc/88/58/61/885885861.db2.gz TZRRSFALVAVVMS-XMMPIXPASA-N 2 1 391.559 3.633 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000108709640 885885874 /nfs/dbraw/zinc/88/58/74/885885874.db2.gz TZRRSFALVAVVMS-XMMPIXPASA-N 2 1 391.559 3.633 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000550700072 885922602 /nfs/dbraw/zinc/92/26/02/885922602.db2.gz AFQALRNNQNGBQK-PKTZIBPZSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000550700072 885922611 /nfs/dbraw/zinc/92/26/11/885922611.db2.gz AFQALRNNQNGBQK-PKTZIBPZSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000550703834 885955803 /nfs/dbraw/zinc/95/58/03/885955803.db2.gz OSZICKAZQKCKRL-IRXDYDNUSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000550703834 885955814 /nfs/dbraw/zinc/95/58/14/885955814.db2.gz OSZICKAZQKCKRL-IRXDYDNUSA-N 2 1 379.426 3.904 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569032 886127818 /nfs/dbraw/zinc/12/78/18/886127818.db2.gz VOQKFSYIDNHSRH-UWJYYQICSA-N 2 1 397.567 3.622 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569032 886127825 /nfs/dbraw/zinc/12/78/25/886127825.db2.gz VOQKFSYIDNHSRH-UWJYYQICSA-N 2 1 397.567 3.622 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@@H]1C ZINC000532569032 886127837 /nfs/dbraw/zinc/12/78/37/886127837.db2.gz VOQKFSYIDNHSRH-UWJYYQICSA-N 2 1 397.567 3.622 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556814146 886230679 /nfs/dbraw/zinc/23/06/79/886230679.db2.gz YIXBBHKTFRERQG-SJLPKXTDSA-N 2 1 387.474 3.794 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000465553582 886523244 /nfs/dbraw/zinc/52/32/44/886523244.db2.gz VXRVQSMMPDONIJ-SFTDATJTSA-N 2 1 388.600 3.831 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057138948 886532454 /nfs/dbraw/zinc/53/24/54/886532454.db2.gz OLPGOWWQDJPRHR-QHCPKHFHSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536518376 886653242 /nfs/dbraw/zinc/65/32/42/886653242.db2.gz LTUODXUZVUHGMK-OAQYLSRUSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000808725837 886709395 /nfs/dbraw/zinc/70/93/95/886709395.db2.gz HBZHXYLKPVODPD-LTFPLMDUSA-N 2 1 379.589 3.780 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237114526 886911403 /nfs/dbraw/zinc/91/14/03/886911403.db2.gz PMAXFVDQWHJTIV-WMZOPIPTSA-N 2 1 397.485 3.866 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000127473203 887063726 /nfs/dbraw/zinc/06/37/26/887063726.db2.gz JCQZYWNOEGVQBJ-SFHVURJKSA-N 2 1 394.357 3.584 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000863635064 887252236 /nfs/dbraw/zinc/25/22/36/887252236.db2.gz GNDNRIDRPLLACR-NRFANRHFSA-N 2 1 389.971 3.640 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(Cl)c1O ZINC000459330409 887395535 /nfs/dbraw/zinc/39/55/35/887395535.db2.gz SMBCWJCSMSIOBR-HOTGVXAUSA-N 2 1 396.959 3.766 20 0 GHADMP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000763054288 887601693 /nfs/dbraw/zinc/60/16/93/887601693.db2.gz WKZVKIFWEVBSLX-SJLPKXTDSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+](C)[C@@H](CNc1ccc2c(n1)OCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC001170584479 887642499 /nfs/dbraw/zinc/64/24/99/887642499.db2.gz AQKNMYREOBMYJQ-INIZCTEOSA-N 2 1 381.307 3.585 20 0 GHADMP C[NH+](C)[C@H](CNc1ccc2c(n1)OCC[NH2+]C2)c1ccc(Cl)cc1Cl ZINC001170584480 887642819 /nfs/dbraw/zinc/64/28/19/887642819.db2.gz AQKNMYREOBMYJQ-MRXNPFEDSA-N 2 1 381.307 3.585 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000105123984 887694868 /nfs/dbraw/zinc/69/48/68/887694868.db2.gz AGSFHISZEOARAI-HKUYNNGSSA-N 2 1 380.602 3.551 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C1 ZINC000865416824 888334430 /nfs/dbraw/zinc/33/44/30/888334430.db2.gz NNMIECOKSFVYNX-DLBZAZTESA-N 2 1 391.581 3.758 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000865416824 888334443 /nfs/dbraw/zinc/33/44/43/888334443.db2.gz NNMIECOKSFVYNX-DLBZAZTESA-N 2 1 391.581 3.758 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc21 ZINC000865525801 888410740 /nfs/dbraw/zinc/41/07/40/888410740.db2.gz GMUBQHKOJRXKDB-JRGCBEDISA-N 2 1 377.488 3.924 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc21 ZINC000865525801 888410749 /nfs/dbraw/zinc/41/07/49/888410749.db2.gz GMUBQHKOJRXKDB-JRGCBEDISA-N 2 1 377.488 3.924 20 0 GHADMP O=C(c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)N1CCCC1 ZINC000865547503 888432842 /nfs/dbraw/zinc/43/28/42/888432842.db2.gz DKGUHTHTLMKYJW-JOCHJYFZSA-N 2 1 377.532 3.534 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000810426825 888493498 /nfs/dbraw/zinc/49/34/98/888493498.db2.gz YAVRXEFGEVUSEY-RFWXGWTQSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000810426825 888493502 /nfs/dbraw/zinc/49/35/02/888493502.db2.gz YAVRXEFGEVUSEY-RFWXGWTQSA-N 2 1 389.559 3.710 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000810426825 888493507 /nfs/dbraw/zinc/49/35/07/888493507.db2.gz YAVRXEFGEVUSEY-RFWXGWTQSA-N 2 1 389.559 3.710 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)[nH+]c1 ZINC000194076982 888555394 /nfs/dbraw/zinc/55/53/94/888555394.db2.gz RPLDTHJHFATSOZ-UHFFFAOYSA-N 2 1 392.547 3.519 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810568239 888628733 /nfs/dbraw/zinc/62/87/33/888628733.db2.gz XFSNXUFXBZMRHM-AVRDEDQJSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810568239 888628737 /nfs/dbraw/zinc/62/87/37/888628737.db2.gz XFSNXUFXBZMRHM-AVRDEDQJSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810568239 888628741 /nfs/dbraw/zinc/62/87/41/888628741.db2.gz XFSNXUFXBZMRHM-AVRDEDQJSA-N 2 1 381.580 3.702 20 0 GHADMP C[C@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000810662836 888749482 /nfs/dbraw/zinc/74/94/82/888749482.db2.gz ICEYIDWBQVUXFX-JLMWRMLUSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H](OC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810662836 888749489 /nfs/dbraw/zinc/74/94/89/888749489.db2.gz ICEYIDWBQVUXFX-JLMWRMLUSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H](OC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810662836 888749500 /nfs/dbraw/zinc/74/95/00/888749500.db2.gz ICEYIDWBQVUXFX-JLMWRMLUSA-N 2 1 376.516 3.653 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000245459926 888756682 /nfs/dbraw/zinc/75/66/82/888756682.db2.gz VOTNLJJOIYPZOA-PKTZIBPZSA-N 2 1 377.532 3.627 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866306732 888822340 /nfs/dbraw/zinc/82/23/40/888822340.db2.gz LYEPJYADHYCTFW-XKQJLSEDSA-N 2 1 377.916 3.900 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000868187890 889343588 /nfs/dbraw/zinc/34/35/88/889343588.db2.gz QZITYBSVGRGHEM-YUXAGFNASA-N 2 1 378.520 3.535 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000124396777 889619308 /nfs/dbraw/zinc/61/93/08/889619308.db2.gz YRKJDGPGGSIZSN-GMAHTHKFSA-N 2 1 398.595 3.687 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000454734557 889645224 /nfs/dbraw/zinc/64/52/24/889645224.db2.gz LWCYPDKWNPDETO-PMACEKPBSA-N 2 1 392.975 3.651 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000454734557 889645231 /nfs/dbraw/zinc/64/52/31/889645231.db2.gz LWCYPDKWNPDETO-PMACEKPBSA-N 2 1 392.975 3.651 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)C1 ZINC001168516866 889745365 /nfs/dbraw/zinc/74/53/65/889745365.db2.gz BPZZIBCVEYERET-PMPSAXMXSA-N 2 1 393.494 3.638 20 0 GHADMP Cc1ccc([C@@H](CNC2CC[NH+](Cc3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000125041994 889856430 /nfs/dbraw/zinc/85/64/30/889856430.db2.gz YTVDCANPLCKXKU-XMMPIXPASA-N 2 1 378.564 3.781 20 0 GHADMP [NH3+]C1CCC(N(c2cc[nH+]c(N3CCCC3)n2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170644420 889988826 /nfs/dbraw/zinc/98/88/26/889988826.db2.gz LSOZXACFQFGMMM-NSKBAKJYSA-N 2 1 377.536 3.709 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125470397 890007950 /nfs/dbraw/zinc/00/79/50/890007950.db2.gz CBQQZGIUFMNMFV-KNQAVFIVSA-N 3 1 393.641 3.687 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H](C)C1 ZINC000125470397 890007967 /nfs/dbraw/zinc/00/79/67/890007967.db2.gz CBQQZGIUFMNMFV-KNQAVFIVSA-N 2 1 393.641 3.687 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497232253 890390920 /nfs/dbraw/zinc/39/09/20/890390920.db2.gz UGWUTQLSUPFFAB-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)[C@H](O)c1cccc(O)c1 ZINC001170674856 890532238 /nfs/dbraw/zinc/53/22/38/890532238.db2.gz IESYQAAJQQNDLX-REDKUUPNSA-N 2 1 380.492 3.591 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000520798603 890624098 /nfs/dbraw/zinc/62/40/98/890624098.db2.gz YGXOOJZNGXTRNJ-PGRDOPGGSA-N 2 1 386.511 3.518 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126813005 890749697 /nfs/dbraw/zinc/74/96/97/890749697.db2.gz LYUFFTGQUVOVSJ-URVUXULASA-N 2 1 393.641 3.687 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126813005 890749706 /nfs/dbraw/zinc/74/97/06/890749706.db2.gz LYUFFTGQUVOVSJ-URVUXULASA-N 2 1 393.641 3.687 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000126813005 890749716 /nfs/dbraw/zinc/74/97/16/890749716.db2.gz LYUFFTGQUVOVSJ-URVUXULASA-N 2 1 393.641 3.687 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000237175453 890914832 /nfs/dbraw/zinc/91/48/32/890914832.db2.gz FJYNVDLFORWCEF-GHTZIAJQSA-N 2 1 397.588 3.569 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)Nc1c(C)cc(C)nc1C)N1CCCC1 ZINC000455462291 890983336 /nfs/dbraw/zinc/98/33/36/890983336.db2.gz BRWNZXHXUHZORU-LJQANCHMSA-N 2 1 382.508 3.974 20 0 GHADMP C[NH+]1CCC([NH2+]CCOc2c(Cl)cc(Br)cc2Cl)CC1 ZINC000127489111 891090725 /nfs/dbraw/zinc/09/07/25/891090725.db2.gz FLFZBPRBEYDEQJ-UHFFFAOYSA-N 2 1 382.129 3.819 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1)C1CC1 ZINC000872156064 891183415 /nfs/dbraw/zinc/18/34/15/891183415.db2.gz DHYDKRKAWHNZRU-OXJNMPFZSA-N 2 1 390.597 3.778 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1)C1CC1 ZINC000872156064 891183421 /nfs/dbraw/zinc/18/34/21/891183421.db2.gz DHYDKRKAWHNZRU-OXJNMPFZSA-N 2 1 390.597 3.778 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156085 891184095 /nfs/dbraw/zinc/18/40/95/891184095.db2.gz DOZGKOREVAKTKF-WWMYMODYSA-N 2 1 378.582 3.771 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156085 891184101 /nfs/dbraw/zinc/18/41/01/891184101.db2.gz DOZGKOREVAKTKF-WWMYMODYSA-N 2 1 378.582 3.771 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000247011204 891332053 /nfs/dbraw/zinc/33/20/53/891332053.db2.gz PRXZJCCENJJRGE-RBUKOAKNSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000813871957 892055188 /nfs/dbraw/zinc/05/51/88/892055188.db2.gz WRXZFCBDNHMQLT-YADARESESA-N 2 1 379.548 3.951 20 0 GHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261682973 892074253 /nfs/dbraw/zinc/07/42/53/892074253.db2.gz BYJIMXVLHLYPGJ-QFIPXVFZSA-N 2 1 397.950 3.725 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000124992493 892114500 /nfs/dbraw/zinc/11/45/00/892114500.db2.gz GZWIEHMZVCUARD-BTYIYWSLSA-N 2 1 381.476 3.582 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000666843188 892591418 /nfs/dbraw/zinc/59/14/18/892591418.db2.gz SOZPLQFKTAYKHP-HXUWFJFHSA-N 2 1 395.551 3.908 20 0 GHADMP C[C@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696257 892655906 /nfs/dbraw/zinc/65/59/06/892655906.db2.gz HBLRSWHUQRBFLJ-XUZZJYLKSA-N 2 1 393.575 3.884 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696794 892658470 /nfs/dbraw/zinc/65/84/70/892658470.db2.gz KSKIAHZQUQYMIG-DFQSSKMNSA-N 2 1 384.955 3.814 20 0 GHADMP COc1cccc([C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)c1 ZINC000508708369 892774918 /nfs/dbraw/zinc/77/49/18/892774918.db2.gz BNYJFKOSRJRGAJ-UCFCWBNQSA-N 2 1 381.564 3.798 20 0 GHADMP COc1cccc([C@H](CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000508708369 892774927 /nfs/dbraw/zinc/77/49/27/892774927.db2.gz BNYJFKOSRJRGAJ-UCFCWBNQSA-N 2 1 381.564 3.798 20 0 GHADMP COc1cccc([C@H](CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000508708369 892774931 /nfs/dbraw/zinc/77/49/31/892774931.db2.gz BNYJFKOSRJRGAJ-UCFCWBNQSA-N 2 1 381.564 3.798 20 0 GHADMP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717098 892834500 /nfs/dbraw/zinc/83/45/00/892834500.db2.gz ZOCJZFJFLJUNPQ-NZQKXSOJSA-N 3 1 378.564 3.798 20 0 GHADMP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508717098 892834519 /nfs/dbraw/zinc/83/45/19/892834519.db2.gz ZOCJZFJFLJUNPQ-NZQKXSOJSA-N 2 1 378.564 3.798 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]([NH+](C)C)CC3)c2c1C ZINC000428659945 893096640 /nfs/dbraw/zinc/09/66/40/893096640.db2.gz JZTMGFYSBKHIOI-KRWDZBQOSA-N 2 1 387.597 3.824 20 0 GHADMP [NH3+]C1(CC(=O)Nc2cccc(-c3cnco3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000876503376 893212465 /nfs/dbraw/zinc/21/24/65/893212465.db2.gz IBBHLDGLGXZZED-UHFFFAOYSA-N 2 1 390.487 3.664 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000563040090 893314408 /nfs/dbraw/zinc/31/44/08/893314408.db2.gz MZSSLZBIIFJFIA-MRXNPFEDSA-N 2 1 381.524 3.558 20 0 GHADMP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000876889197 893373738 /nfs/dbraw/zinc/37/37/38/893373738.db2.gz LDVZFXWZZOUWPN-JZIMQPMSSA-N 2 1 396.362 3.630 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000876970430 893415877 /nfs/dbraw/zinc/41/58/77/893415877.db2.gz RHCOBXDJTJFYLZ-DFXHWTJYSA-N 2 1 382.485 3.720 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000876970430 893415879 /nfs/dbraw/zinc/41/58/79/893415879.db2.gz RHCOBXDJTJFYLZ-DFXHWTJYSA-N 2 1 382.485 3.720 20 0 GHADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000563159061 893417321 /nfs/dbraw/zinc/41/73/21/893417321.db2.gz FOFBZRMIBQUPQS-QFIPXVFZSA-N 2 1 377.532 3.510 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877041741 893453785 /nfs/dbraw/zinc/45/37/85/893453785.db2.gz NCVWNDPKCFSCCC-RBBKRZOGSA-N 2 1 385.552 3.954 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000877041741 893453796 /nfs/dbraw/zinc/45/37/96/893453796.db2.gz NCVWNDPKCFSCCC-RBBKRZOGSA-N 2 1 385.552 3.954 20 0 GHADMP CCC[N@@H+](Cc1ccc2nc[nH]c2c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000536671116 893501848 /nfs/dbraw/zinc/50/18/48/893501848.db2.gz ZBEXHTVVPYFQCL-UHFFFAOYSA-N 2 1 378.524 3.851 20 0 GHADMP CCC[N@H+](Cc1ccc2[nH]cnc2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536671116 893501868 /nfs/dbraw/zinc/50/18/68/893501868.db2.gz ZBEXHTVVPYFQCL-UHFFFAOYSA-N 2 1 378.524 3.851 20 0 GHADMP CCC[N@@H+](Cc1ccc2[nH]cnc2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536671116 893501887 /nfs/dbraw/zinc/50/18/87/893501887.db2.gz ZBEXHTVVPYFQCL-UHFFFAOYSA-N 2 1 378.524 3.851 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877191545 893528332 /nfs/dbraw/zinc/52/83/32/893528332.db2.gz ZMSHQBHJESYSQA-INIZCTEOSA-N 2 1 387.936 3.806 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000536697604 893562761 /nfs/dbraw/zinc/56/27/61/893562761.db2.gz YLCMTBOHYWGTLS-HNNXBMFYSA-N 2 1 376.875 3.874 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000556058442 893579095 /nfs/dbraw/zinc/57/90/95/893579095.db2.gz IUXGQSFRUVOCAO-OAHLLOKOSA-N 2 1 386.403 3.505 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1=O ZINC000563355829 893658771 /nfs/dbraw/zinc/65/87/71/893658771.db2.gz TWEDHNWPRQNKJS-QHCPKHFHSA-N 2 1 389.543 3.929 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1=O ZINC000563355829 893658775 /nfs/dbraw/zinc/65/87/75/893658775.db2.gz TWEDHNWPRQNKJS-QHCPKHFHSA-N 2 1 389.543 3.929 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2CN(C)Cc2ccco2)C[C@H]1C ZINC000498229356 893660720 /nfs/dbraw/zinc/66/07/20/893660720.db2.gz WBHDWMGNMDTVIE-RTBURBONSA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@H]1C ZINC000498229356 893660726 /nfs/dbraw/zinc/66/07/26/893660726.db2.gz WBHDWMGNMDTVIE-RTBURBONSA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)C[C@H]1C ZINC000498229356 893660731 /nfs/dbraw/zinc/66/07/31/893660731.db2.gz WBHDWMGNMDTVIE-RTBURBONSA-N 2 1 398.551 3.536 20 0 GHADMP CC[NH+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C[C@H]1C ZINC000498229356 893660737 /nfs/dbraw/zinc/66/07/37/893660737.db2.gz WBHDWMGNMDTVIE-RTBURBONSA-N 2 1 398.551 3.536 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2F)CC1)CC1CC1 ZINC000536736465 893696320 /nfs/dbraw/zinc/69/63/20/893696320.db2.gz NJUICCNYPLSPPI-GOSISDBHSA-N 2 1 389.559 3.664 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459531943 893743163 /nfs/dbraw/zinc/74/31/63/893743163.db2.gz DLBJNVMMPONVRS-QHCPKHFHSA-N 3 1 378.564 3.941 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459531943 893743174 /nfs/dbraw/zinc/74/31/74/893743174.db2.gz DLBJNVMMPONVRS-QHCPKHFHSA-N 3 1 378.564 3.941 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000563503209 893838384 /nfs/dbraw/zinc/83/83/84/893838384.db2.gz MRBUIXJVEBQZFP-UHFFFAOYSA-N 2 1 383.511 3.759 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000455838634 894053528 /nfs/dbraw/zinc/05/35/28/894053528.db2.gz BWJYSMZSGYUJKX-AUSIDOKSSA-N 2 1 392.547 3.879 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000459785614 894185590 /nfs/dbraw/zinc/18/55/90/894185590.db2.gz OXMPAGDWMOHMFM-MRXNPFEDSA-N 2 1 380.458 3.772 20 0 GHADMP COc1cc2ccccc2cc1-c1nnc(C[N@@H+](C)CCCn2ccnc2)o1 ZINC000878319442 894191205 /nfs/dbraw/zinc/19/12/05/894191205.db2.gz RSYLFERUUUXAHH-UHFFFAOYSA-N 2 1 377.448 3.617 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000536999558 894204248 /nfs/dbraw/zinc/20/42/48/894204248.db2.gz UBZXZACBLZPWRA-FQEVSTJZSA-N 2 1 398.378 3.977 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)C[N@H+]2C1 ZINC001135296052 894331193 /nfs/dbraw/zinc/33/11/93/894331193.db2.gz LFNCNQDLXYFASS-MTQWCTHYSA-N 2 1 389.609 3.758 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)ccc21 ZINC000455850940 894696825 /nfs/dbraw/zinc/69/68/25/894696825.db2.gz KWKJWYMPILQSSG-YPAWHYETSA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@@H](C)C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000564308066 894846545 /nfs/dbraw/zinc/84/65/45/894846545.db2.gz ZWZHFBAEWZFYCO-XUZZJYLKSA-N 2 1 393.575 3.691 20 0 GHADMP COC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000564424131 894966344 /nfs/dbraw/zinc/96/63/44/894966344.db2.gz PRCWJABXURYYDV-MOPGFXCFSA-N 2 1 393.984 3.667 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000564434588 894978711 /nfs/dbraw/zinc/97/87/11/894978711.db2.gz DMLNEZMHFPQAER-OAQYLSRUSA-N 2 1 380.532 3.949 20 0 GHADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000564434811 894979164 /nfs/dbraw/zinc/97/91/64/894979164.db2.gz FRTONXSTKVNWTC-HSZRJFAPSA-N 2 1 379.504 3.883 20 0 GHADMP C[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564641878 895152126 /nfs/dbraw/zinc/15/21/26/895152126.db2.gz MEZSZKQVRIHZSQ-HIFRSBDPSA-N 2 1 398.473 3.939 20 0 GHADMP CC(C)C[C@H]([NH3+])c1noc([C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000564959616 895323635 /nfs/dbraw/zinc/32/36/35/895323635.db2.gz FBBJUHHOSDEFSF-MAUKXSAKSA-N 2 1 382.430 3.822 20 0 GHADMP Brc1ccccc1-c1cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000565047449 895367874 /nfs/dbraw/zinc/36/78/74/895367874.db2.gz RPZLGTFTXFGKNO-GJZGRUSLSA-N 2 1 390.325 3.926 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000565191950 895451805 /nfs/dbraw/zinc/45/18/05/895451805.db2.gz XTMHTEALCMCGKG-HYBUGGRVSA-N 2 1 393.575 3.916 20 0 GHADMP CC(C)(O)[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H](C(C)(C)O)C3)c2)C1 ZINC000880148659 895541869 /nfs/dbraw/zinc/54/18/69/895541869.db2.gz IWQKWLGSZQELHC-RTBURBONSA-N 2 1 394.987 3.526 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000880276271 895608901 /nfs/dbraw/zinc/60/89/01/895608901.db2.gz FROMFEXXRPTSPY-QFIPXVFZSA-N 2 1 395.595 3.672 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000565547871 895715814 /nfs/dbraw/zinc/71/58/14/895715814.db2.gz DIOLZZSRYLUXID-YUXAGFNASA-N 2 1 375.601 3.610 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000565827537 895915079 /nfs/dbraw/zinc/91/50/79/895915079.db2.gz AGVFRRGNLHYTMB-NZQKXSOJSA-N 3 1 392.478 3.665 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170890775 896070255 /nfs/dbraw/zinc/07/02/55/896070255.db2.gz WQGVUYFJRAEVNC-LJQANCHMSA-N 2 1 386.337 3.832 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000566230618 896192267 /nfs/dbraw/zinc/19/22/67/896192267.db2.gz NTRVBYREFZLGPE-GHTZIAJQSA-N 2 1 390.531 3.776 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3csc4ccccc34)CC2)C[C@H](C)O1 ZINC000566381290 896273788 /nfs/dbraw/zinc/27/37/88/896273788.db2.gz GCLHOKZFOMNWCG-HDICACEKSA-N 2 1 388.577 3.992 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3csc4ccccc34)CC2)C[C@H](C)O1 ZINC000566381290 896273800 /nfs/dbraw/zinc/27/38/00/896273800.db2.gz GCLHOKZFOMNWCG-HDICACEKSA-N 2 1 388.577 3.992 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000818969798 896328916 /nfs/dbraw/zinc/32/89/16/896328916.db2.gz IKHUGHBDNOGSGO-LJQANCHMSA-N 2 1 377.326 3.724 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000566534908 896359102 /nfs/dbraw/zinc/35/91/02/896359102.db2.gz SLYRZJUWNYCEQU-DHIUTWEWSA-N 2 1 383.580 3.751 20 0 GHADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000566646768 896450883 /nfs/dbraw/zinc/45/08/83/896450883.db2.gz UWZOUNUIVRGKPB-UHFFFAOYSA-N 2 1 398.551 3.556 20 0 GHADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000566646768 896450888 /nfs/dbraw/zinc/45/08/88/896450888.db2.gz UWZOUNUIVRGKPB-UHFFFAOYSA-N 2 1 398.551 3.556 20 0 GHADMP Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333856 896577251 /nfs/dbraw/zinc/57/72/51/896577251.db2.gz RGUJTVJFPVVIPI-RPWUZVMVSA-N 2 1 394.559 3.547 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)CCc3ccccc3)cc2)CC1 ZINC000819445048 896679271 /nfs/dbraw/zinc/67/92/71/896679271.db2.gz MVWDZNFKEPEGFD-DEOSSOPVSA-N 2 1 381.564 3.870 20 0 GHADMP O=C1OC2(CCCC2)CN1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000778575365 896933727 /nfs/dbraw/zinc/93/37/27/896933727.db2.gz PZBHAMWZOGXAHZ-UHFFFAOYSA-N 2 1 383.536 3.697 20 0 GHADMP O=C1OC2(CCCC2)CN1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000778575365 896933737 /nfs/dbraw/zinc/93/37/37/896933737.db2.gz PZBHAMWZOGXAHZ-UHFFFAOYSA-N 2 1 383.536 3.697 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000567264466 897019148 /nfs/dbraw/zinc/01/91/48/897019148.db2.gz QZJQEAVHPKBDPN-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000882892316 897081306 /nfs/dbraw/zinc/08/13/06/897081306.db2.gz TYIAOFQIHAYXRS-KRWDZBQOSA-N 2 1 384.593 3.874 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000882892316 897081311 /nfs/dbraw/zinc/08/13/11/897081311.db2.gz TYIAOFQIHAYXRS-KRWDZBQOSA-N 2 1 384.593 3.874 20 0 GHADMP Cn1nc2c(c1C[NH2+]C[C@H]1CCCC[N@H+](Cc3ccccc3)C1)CSCC2 ZINC000883123227 897301157 /nfs/dbraw/zinc/30/11/57/897301157.db2.gz QQRVQCNDSQPPSX-LJQANCHMSA-N 2 1 384.593 3.601 20 0 GHADMP Cn1nc2c(c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)CSCC2 ZINC000883123227 897301168 /nfs/dbraw/zinc/30/11/68/897301168.db2.gz QQRVQCNDSQPPSX-LJQANCHMSA-N 2 1 384.593 3.601 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000883281651 897441779 /nfs/dbraw/zinc/44/17/79/897441779.db2.gz UADIQRLPHQAXMF-OAQYLSRUSA-N 2 1 390.531 3.503 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000883281651 897441785 /nfs/dbraw/zinc/44/17/85/897441785.db2.gz UADIQRLPHQAXMF-OAQYLSRUSA-N 2 1 390.531 3.503 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000568009278 897533038 /nfs/dbraw/zinc/53/30/38/897533038.db2.gz QGSZCZVDFBOXCZ-IERDGZPVSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000568009278 897533052 /nfs/dbraw/zinc/53/30/52/897533052.db2.gz QGSZCZVDFBOXCZ-IERDGZPVSA-N 2 1 381.524 3.558 20 0 GHADMP CSCC[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1nnc2ccccn21 ZINC000820805878 897534837 /nfs/dbraw/zinc/53/48/37/897534837.db2.gz TVJNMPQNWINFMB-LPHOPBHVSA-N 2 1 383.565 3.936 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000568098282 897590657 /nfs/dbraw/zinc/59/06/57/897590657.db2.gz RTYXHLUCNZCXMT-UHFFFAOYSA-N 2 1 388.313 3.662 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000568098282 897590672 /nfs/dbraw/zinc/59/06/72/897590672.db2.gz RTYXHLUCNZCXMT-UHFFFAOYSA-N 2 1 388.313 3.662 20 0 GHADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cc(F)ccc1F ZINC000568200963 897671176 /nfs/dbraw/zinc/67/11/76/897671176.db2.gz DMXNNQAESVUPRL-OAQYLSRUSA-N 2 1 393.522 3.728 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826331335 897723722 /nfs/dbraw/zinc/72/37/22/897723722.db2.gz DEZUWDNUXPDNRI-INIZCTEOSA-N 2 1 387.491 3.780 20 0 GHADMP COCCC1(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CCCCC1 ZINC000568349865 897766913 /nfs/dbraw/zinc/76/69/13/897766913.db2.gz IPBNKGJLOKBPTB-LJQANCHMSA-N 2 1 379.614 3.613 20 0 GHADMP Cc1ncc2n1CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C2 ZINC000289446048 914190567 /nfs/dbraw/zinc/19/05/67/914190567.db2.gz BDRZYRWOCGHEJC-LJQANCHMSA-N 2 1 394.563 3.835 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C2 ZINC000289446048 914190576 /nfs/dbraw/zinc/19/05/76/914190576.db2.gz BDRZYRWOCGHEJC-LJQANCHMSA-N 2 1 394.563 3.835 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C2 ZINC000289446048 914190582 /nfs/dbraw/zinc/19/05/82/914190582.db2.gz BDRZYRWOCGHEJC-LJQANCHMSA-N 2 1 394.563 3.835 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643977 897835248 /nfs/dbraw/zinc/83/52/48/897835248.db2.gz ZESZKOMLOXBVLC-QUCCMNQESA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643977 897835258 /nfs/dbraw/zinc/83/52/58/897835258.db2.gz ZESZKOMLOXBVLC-QUCCMNQESA-N 2 1 384.520 3.678 20 0 GHADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000568511970 897899158 /nfs/dbraw/zinc/89/91/58/897899158.db2.gz DCPCKBXYASYCRM-FUHWJXTLSA-N 2 1 390.597 3.519 20 0 GHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC001136465191 897973367 /nfs/dbraw/zinc/97/33/67/897973367.db2.gz GZHKBGLGRMPKJA-GOSISDBHSA-N 2 1 382.552 3.540 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC001136465191 897973380 /nfs/dbraw/zinc/97/33/80/897973380.db2.gz GZHKBGLGRMPKJA-GOSISDBHSA-N 2 1 382.552 3.540 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC001136465191 897973385 /nfs/dbraw/zinc/97/33/85/897973385.db2.gz GZHKBGLGRMPKJA-GOSISDBHSA-N 2 1 382.552 3.540 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC001136465191 897973395 /nfs/dbraw/zinc/97/33/95/897973395.db2.gz GZHKBGLGRMPKJA-GOSISDBHSA-N 2 1 382.552 3.540 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(-c2noc(CC[C@@H]([NH3+])CC3CCCCC3)n2)cn1 ZINC000822785419 898624389 /nfs/dbraw/zinc/62/43/89/898624389.db2.gz PKQPXEIXAGKIAI-GOSISDBHSA-N 2 1 380.496 3.856 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000646183230 914307416 /nfs/dbraw/zinc/30/74/16/914307416.db2.gz MEDHYAROSADJGV-KDURUIRLSA-N 2 1 394.563 3.623 20 0 GHADMP C[N@@H+](CCC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1)C1CCCCC1 ZINC001136727471 899053204 /nfs/dbraw/zinc/05/32/04/899053204.db2.gz LURXTKLGRILMOP-UHFFFAOYSA-N 2 1 393.616 3.571 20 0 GHADMP C[NH+](CCC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1CCCCC1 ZINC001136727471 899053211 /nfs/dbraw/zinc/05/32/11/899053211.db2.gz LURXTKLGRILMOP-UHFFFAOYSA-N 2 1 393.616 3.571 20 0 GHADMP C[NH+](CCC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CCCCC1 ZINC001136727471 899053231 /nfs/dbraw/zinc/05/32/31/899053231.db2.gz LURXTKLGRILMOP-UHFFFAOYSA-N 2 1 393.616 3.571 20 0 GHADMP Clc1cccc(-c2cc(CNc3ccc4c(C5C[NH2+]C5)[nH+]cn4c3)on2)c1 ZINC001171020944 899088467 /nfs/dbraw/zinc/08/84/67/899088467.db2.gz XILDXRPHLRVDMH-UHFFFAOYSA-N 2 1 379.851 3.942 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000570314783 899260194 /nfs/dbraw/zinc/26/01/94/899260194.db2.gz HYDKVEXRLIYPKU-KRWDZBQOSA-N 2 1 394.441 3.603 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000570314784 899260224 /nfs/dbraw/zinc/26/02/24/899260224.db2.gz HYDKVEXRLIYPKU-QGZVFWFLSA-N 2 1 394.441 3.603 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000570543024 899373999 /nfs/dbraw/zinc/37/39/99/899373999.db2.gz UXGQYGDDCQMPGU-XXBNENTESA-N 2 1 379.548 3.921 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289787194 914346376 /nfs/dbraw/zinc/34/63/76/914346376.db2.gz RQYQDDJVHQAVDW-QESAQDPVSA-N 2 1 382.552 3.623 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824584961 899725595 /nfs/dbraw/zinc/72/55/95/899725595.db2.gz KLBRGOBITCQEBJ-WSTZPKSXSA-N 2 1 390.535 3.818 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000134653100 900101270 /nfs/dbraw/zinc/10/12/70/900101270.db2.gz BPAUFTNGKVLOQD-OAHLLOKOSA-N 2 1 378.561 3.653 20 0 GHADMP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573146317 900392570 /nfs/dbraw/zinc/39/25/70/900392570.db2.gz XTDYNCHPVRUYKJ-VQTJNVASSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573146317 900392575 /nfs/dbraw/zinc/39/25/75/900392575.db2.gz XTDYNCHPVRUYKJ-VQTJNVASSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573146317 900392578 /nfs/dbraw/zinc/39/25/78/900392578.db2.gz XTDYNCHPVRUYKJ-VQTJNVASSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000573146317 900392583 /nfs/dbraw/zinc/39/25/83/900392583.db2.gz XTDYNCHPVRUYKJ-VQTJNVASSA-N 2 1 384.593 3.943 20 0 GHADMP Brc1ccccc1-c1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000844222551 900588874 /nfs/dbraw/zinc/58/88/74/900588874.db2.gz GADMEQJVLKOTBF-UHFFFAOYSA-N 2 1 376.298 3.680 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)C[C@@H]1C[C@@]12CCOC2 ZINC000886098005 900720853 /nfs/dbraw/zinc/72/08/53/900720853.db2.gz HYLVWRUMSFAJBW-XQUALCHDSA-N 2 1 390.612 3.654 20 0 GHADMP Cc1c(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cccc1C(F)(F)F ZINC001143924693 900775073 /nfs/dbraw/zinc/77/50/73/900775073.db2.gz YTHUFAAGTSKZGU-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP Cc1c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cccc1C(F)(F)F ZINC001143924693 900775080 /nfs/dbraw/zinc/77/50/80/900775080.db2.gz YTHUFAAGTSKZGU-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000574140047 900791966 /nfs/dbraw/zinc/79/19/66/900791966.db2.gz IUTQDKFGRBMDLH-QFIPXVFZSA-N 2 1 392.547 3.755 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000886298664 900922913 /nfs/dbraw/zinc/92/29/13/900922913.db2.gz GNZXUOUHFQUANN-MZYLBHOOSA-N 2 1 386.580 3.995 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC000886298664 900922934 /nfs/dbraw/zinc/92/29/34/900922934.db2.gz GNZXUOUHFQUANN-MZYLBHOOSA-N 2 1 386.580 3.995 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCC(C(=O)OCC)CC1 ZINC001144104230 901071736 /nfs/dbraw/zinc/07/17/36/901071736.db2.gz JDFNXWZYYAAXKF-UHFFFAOYSA-N 2 1 389.584 3.630 20 0 GHADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)CC2 ZINC000886598752 901182335 /nfs/dbraw/zinc/18/23/35/901182335.db2.gz JJIGWESRWOLPKZ-IZBOUPIGSA-N 2 1 378.564 3.964 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)[nH+]c1C ZINC000886664852 901215576 /nfs/dbraw/zinc/21/55/76/901215576.db2.gz YZHVCVPCOQHOAN-SFHVURJKSA-N 2 1 381.442 3.828 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)[nH+]c1C ZINC000886667492 901216000 /nfs/dbraw/zinc/21/60/00/901216000.db2.gz BNPBOIUHCZPXNL-IRLDBZIGSA-N 2 1 383.536 3.661 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]([C@H]3CCCO3)C2)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822738 901287647 /nfs/dbraw/zinc/28/76/47/901287647.db2.gz ULPPVDYDBQGOPR-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886822738 901287654 /nfs/dbraw/zinc/28/76/54/901287654.db2.gz ULPPVDYDBQGOPR-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886822738 901287667 /nfs/dbraw/zinc/28/76/67/901287667.db2.gz ULPPVDYDBQGOPR-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cnccc1Cl)CC2 ZINC001137232178 901373313 /nfs/dbraw/zinc/37/33/13/901373313.db2.gz GVBPNFOBSCKVEO-KRWDZBQOSA-N 2 1 375.900 3.584 20 0 GHADMP c1ccn(-c2ccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)cc2)c1 ZINC001144246861 901450022 /nfs/dbraw/zinc/45/00/22/901450022.db2.gz INKUGNQDUWVDCS-UHFFFAOYSA-N 2 1 389.547 3.718 20 0 GHADMP CN(c1ccccc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000093712591 901563009 /nfs/dbraw/zinc/56/30/09/901563009.db2.gz GWSAPACDRPAZJI-MUUNZHRXSA-N 2 1 399.604 3.586 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000093712591 901563016 /nfs/dbraw/zinc/56/30/16/901563016.db2.gz GWSAPACDRPAZJI-MUUNZHRXSA-N 2 1 399.604 3.586 20 0 GHADMP CCC(CC)(CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000576164846 901744776 /nfs/dbraw/zinc/74/47/76/901744776.db2.gz KXLZSWPYVOJRST-FXAWDEMLSA-N 2 1 382.552 3.780 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000576179499 901763285 /nfs/dbraw/zinc/76/32/85/901763285.db2.gz MXXURZMZQNRHNU-KVOKEACQSA-N 2 1 396.600 3.955 20 0 GHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000576219362 901830074 /nfs/dbraw/zinc/83/00/74/901830074.db2.gz YWALNQABPPMKDE-YPMHNXCESA-N 2 1 377.838 3.808 20 0 GHADMP CC(C)[C@@H]1C[NH+](Cc2cncc(C[N@H+]3CCCO[C@H](C(C)C)C3)c2)CCCO1 ZINC000576345562 901967151 /nfs/dbraw/zinc/96/71/51/901967151.db2.gz RUSAXCFEXRLWCE-GOTSBHOMSA-N 2 1 389.584 3.575 20 0 GHADMP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000097258025 901975265 /nfs/dbraw/zinc/97/52/65/901975265.db2.gz BYDAOOAKQAEHRU-LJQANCHMSA-N 2 1 383.540 3.908 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000097258025 901975280 /nfs/dbraw/zinc/97/52/80/901975280.db2.gz BYDAOOAKQAEHRU-LJQANCHMSA-N 2 1 383.540 3.908 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nc(-c4c(F)cccc4F)cs3)CC2)C1 ZINC000576376439 901982013 /nfs/dbraw/zinc/98/20/13/901982013.db2.gz JOKORCCMMGLNMK-KBXCAEBGSA-N 2 1 393.503 3.807 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144411430 902074259 /nfs/dbraw/zinc/07/42/59/902074259.db2.gz HZPBABPMYOSLAW-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144411430 902074267 /nfs/dbraw/zinc/07/42/67/902074267.db2.gz HZPBABPMYOSLAW-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144411430 902074274 /nfs/dbraw/zinc/07/42/74/902074274.db2.gz HZPBABPMYOSLAW-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]c4nc(Cl)ccc34)C2)C1 ZINC001144411430 902074279 /nfs/dbraw/zinc/07/42/79/902074279.db2.gz HZPBABPMYOSLAW-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP CC[C@@H](C)Oc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000576556165 902094311 /nfs/dbraw/zinc/09/43/11/902094311.db2.gz RKKSBCPBLXXDRG-QUCCMNQESA-N 2 1 390.572 3.744 20 0 GHADMP C[C@H]1[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000576667037 902172832 /nfs/dbraw/zinc/17/28/32/902172832.db2.gz ARKXCSADPAKYHB-GHTZIAJQSA-N 2 1 380.536 3.575 20 0 GHADMP COc1nccc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000577261114 902626814 /nfs/dbraw/zinc/62/68/14/902626814.db2.gz QTUJJZDFKRXYKH-HAYQSNGGSA-N 2 1 386.927 3.842 20 0 GHADMP COc1nccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000577261114 902626821 /nfs/dbraw/zinc/62/68/21/902626821.db2.gz QTUJJZDFKRXYKH-HAYQSNGGSA-N 2 1 386.927 3.842 20 0 GHADMP COc1nccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000577261114 902626827 /nfs/dbraw/zinc/62/68/27/902626827.db2.gz QTUJJZDFKRXYKH-HAYQSNGGSA-N 2 1 386.927 3.842 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)s1 ZINC000846100848 902713096 /nfs/dbraw/zinc/71/30/96/902713096.db2.gz UYDYFHUSQDMXHS-LAUBAEHRSA-N 2 1 395.588 3.549 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)s1 ZINC000846100848 902713106 /nfs/dbraw/zinc/71/31/06/902713106.db2.gz UYDYFHUSQDMXHS-LAUBAEHRSA-N 2 1 395.588 3.549 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)s1 ZINC000846100848 902713123 /nfs/dbraw/zinc/71/31/23/902713123.db2.gz UYDYFHUSQDMXHS-LAUBAEHRSA-N 2 1 395.588 3.549 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc(OC(C)C)cc3)CC2)CC1 ZINC000577385221 902729326 /nfs/dbraw/zinc/72/93/26/902729326.db2.gz MEQZYMYELSNGIB-UHFFFAOYSA-N 2 1 387.568 3.633 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000779006222 902750132 /nfs/dbraw/zinc/75/01/32/902750132.db2.gz QMAAEZJLFCVZAJ-HNNXBMFYSA-N 2 1 388.556 3.692 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846222348 902796836 /nfs/dbraw/zinc/79/68/36/902796836.db2.gz HKFDHDRZXSBDAW-SHJAMOMRSA-N 2 1 387.568 3.529 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000290443962 914684718 /nfs/dbraw/zinc/68/47/18/914684718.db2.gz SHYXRYVNKHVIBB-UHFFFAOYSA-N 2 1 387.549 3.854 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749256 903153376 /nfs/dbraw/zinc/15/33/76/903153376.db2.gz VBSOMYWIEQHTET-ZRBLBEILSA-N 2 1 377.532 3.590 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000577850137 903267404 /nfs/dbraw/zinc/26/74/04/903267404.db2.gz XNHMHWRLEFUSOE-JPYJTQIMSA-N 2 1 390.531 3.776 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000577850137 903267419 /nfs/dbraw/zinc/26/74/19/903267419.db2.gz XNHMHWRLEFUSOE-JPYJTQIMSA-N 2 1 390.531 3.776 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846926392 903308565 /nfs/dbraw/zinc/30/85/65/903308565.db2.gz WHWGLQITVFFEBL-MOPGFXCFSA-N 2 1 390.572 3.712 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846926392 903308578 /nfs/dbraw/zinc/30/85/78/903308578.db2.gz WHWGLQITVFFEBL-MOPGFXCFSA-N 2 1 390.572 3.712 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@@]3(CCC[N@H+](C[C@H]4CCO[C@H](C)C4)C3)C2)CCO1 ZINC000578003044 903436381 /nfs/dbraw/zinc/43/63/81/903436381.db2.gz VWJIRFGOUKUNAA-FWKCKQQBSA-N 2 1 378.601 3.795 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@]3(CCC[NH+](C[C@H]4CCO[C@H](C)C4)C3)C2)CCO1 ZINC000578003044 903436384 /nfs/dbraw/zinc/43/63/84/903436384.db2.gz VWJIRFGOUKUNAA-FWKCKQQBSA-N 2 1 378.601 3.795 20 0 GHADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](C[C@H]4CCO[C@H](C)C4)C3)C2)CCO1 ZINC000578003044 903436390 /nfs/dbraw/zinc/43/63/90/903436390.db2.gz VWJIRFGOUKUNAA-FWKCKQQBSA-N 2 1 378.601 3.795 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000601236726 903494332 /nfs/dbraw/zinc/49/43/32/903494332.db2.gz STIWGHPMYNBPJF-KNQAVFIVSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)cc2)C1 ZINC000601242290 903501834 /nfs/dbraw/zinc/50/18/34/903501834.db2.gz LBIQLPVCABQLEO-PWHSHALESA-N 2 1 398.595 3.543 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000779053730 903564567 /nfs/dbraw/zinc/56/45/67/903564567.db2.gz BEQBDXZGCZRZPT-PMACEKPBSA-N 2 1 375.557 3.921 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000646681448 914770742 /nfs/dbraw/zinc/77/07/42/914770742.db2.gz YTPOWVIIWGSQQX-GMAHTHKFSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646681448 914770753 /nfs/dbraw/zinc/77/07/53/914770753.db2.gz YTPOWVIIWGSQQX-GMAHTHKFSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646681448 914770765 /nfs/dbraw/zinc/77/07/65/914770765.db2.gz YTPOWVIIWGSQQX-GMAHTHKFSA-N 2 1 385.596 3.712 20 0 GHADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000578701620 904064986 /nfs/dbraw/zinc/06/49/86/904064986.db2.gz QKMLJZBJADTQSX-QHCPKHFHSA-N 2 1 397.538 3.817 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000578927757 904231770 /nfs/dbraw/zinc/23/17/70/904231770.db2.gz LNELNXYUOBGAEL-JENIJYKNSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000578927757 904231777 /nfs/dbraw/zinc/23/17/77/904231777.db2.gz LNELNXYUOBGAEL-JENIJYKNSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000578927757 904231790 /nfs/dbraw/zinc/23/17/90/904231790.db2.gz LNELNXYUOBGAEL-JENIJYKNSA-N 2 1 380.602 3.551 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)COc1ccccc1Cl ZINC000579463420 904628316 /nfs/dbraw/zinc/62/83/16/904628316.db2.gz SBYSFPGZNDIGFG-SJORKVTESA-N 2 1 394.968 3.643 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)COc1ccccc1Cl ZINC000579463420 904628323 /nfs/dbraw/zinc/62/83/23/904628323.db2.gz SBYSFPGZNDIGFG-SJORKVTESA-N 2 1 394.968 3.643 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171534023 904759942 /nfs/dbraw/zinc/75/99/42/904759942.db2.gz CNUOTIUAPKNCPE-HZPDHXFCSA-N 2 1 396.497 3.973 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCc3cc(F)c(F)c(F)c3C2)[nH+]1 ZINC001171546504 904777997 /nfs/dbraw/zinc/77/79/97/904777997.db2.gz JRKUJLVVNPTGFL-MRXNPFEDSA-N 2 1 375.438 3.923 20 0 GHADMP Fc1cc2c(c(F)c1F)C[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC001171504945 904780177 /nfs/dbraw/zinc/78/01/77/904780177.db2.gz DLUZTNAZQSWRIE-GOSISDBHSA-N 2 1 390.449 3.583 20 0 GHADMP Cn1ccc(C[N@H+]2CCCC23CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC3)n1 ZINC001171636266 904924012 /nfs/dbraw/zinc/92/40/12/904924012.db2.gz CMZXIAYDDBWBRE-UHFFFAOYSA-N 2 1 387.616 3.502 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)CC1(C)C ZINC001171638134 904928197 /nfs/dbraw/zinc/92/81/97/904928197.db2.gz SGMFGERSNMSTQR-HSZRJFAPSA-N 2 1 387.543 3.906 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767389 905007652 /nfs/dbraw/zinc/00/76/52/905007652.db2.gz NJLHZZDVVMSKHZ-KTJVCJKDSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767389 905007670 /nfs/dbraw/zinc/00/76/70/905007670.db2.gz NJLHZZDVVMSKHZ-KTJVCJKDSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767389 905007687 /nfs/dbraw/zinc/00/76/87/905007687.db2.gz NJLHZZDVVMSKHZ-KTJVCJKDSA-N 2 1 375.560 3.856 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171993659 905205143 /nfs/dbraw/zinc/20/51/43/905205143.db2.gz ODFORGOEMQYWLB-INIZCTEOSA-N 2 1 380.374 3.739 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172002816 905211376 /nfs/dbraw/zinc/21/13/76/905211376.db2.gz CJCZPERTMYSFPH-MISYRCLQSA-N 2 1 375.944 3.565 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001171976841 905223591 /nfs/dbraw/zinc/22/35/91/905223591.db2.gz UPCSETSCYKPZDG-UPVQGACJSA-N 2 1 393.575 3.925 20 0 GHADMP CN1c2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)ccc2OCC1=O ZINC001171980823 905232771 /nfs/dbraw/zinc/23/27/71/905232771.db2.gz XIEPNSNHMJCNLL-FQEVSTJZSA-N 2 1 393.531 3.575 20 0 GHADMP CN1c2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)ccc2OCC1=O ZINC001171980823 905232788 /nfs/dbraw/zinc/23/27/88/905232788.db2.gz XIEPNSNHMJCNLL-FQEVSTJZSA-N 2 1 393.531 3.575 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171981728 905235568 /nfs/dbraw/zinc/23/55/68/905235568.db2.gz CSKAZAYZMZBZOY-NRFANRHFSA-N 2 1 383.536 3.640 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171981728 905235572 /nfs/dbraw/zinc/23/55/72/905235572.db2.gz CSKAZAYZMZBZOY-NRFANRHFSA-N 2 1 383.536 3.640 20 0 GHADMP O=C1NCCCC12CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172074285 905281480 /nfs/dbraw/zinc/28/14/80/905281480.db2.gz GXHVAJCPAPHZQB-ZBYYUNFXSA-N 2 1 381.564 3.564 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC(Oc4ncccn4)CC2)C3)cc1 ZINC001172074243 905282763 /nfs/dbraw/zinc/28/27/63/905282763.db2.gz GNPFBYHFXUAVRR-ZBYYUNFXSA-N 2 1 392.547 3.906 20 0 GHADMP OC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076302 905286920 /nfs/dbraw/zinc/28/69/20/905286920.db2.gz HRWDQJJEPNLEDJ-YCAMKHIRSA-N 2 1 382.523 3.904 20 0 GHADMP OC[C@@H](COCc1ccccc1)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078419 905289874 /nfs/dbraw/zinc/28/98/74/905289874.db2.gz ZCMGAHPDTDLXRW-JBXUNAHCSA-N 2 1 394.559 3.739 20 0 GHADMP COCCCC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172090434 905308328 /nfs/dbraw/zinc/30/83/28/905308328.db2.gz VPOQKPRZCKJBNE-UBRQYEGLSA-N 2 1 385.596 3.616 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172100432 905322577 /nfs/dbraw/zinc/32/25/77/905322577.db2.gz QNLWYVWJTSRRSC-AKHDSKFASA-N 2 1 377.573 3.629 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@H](Oc3cccc(Br)c3)C1)C2 ZINC001172132745 905345007 /nfs/dbraw/zinc/34/50/07/905345007.db2.gz NSHKSXGTRRZHOG-SFNKJDCFSA-N 2 1 379.342 3.918 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@H](Oc3cccc(Br)c3)C1)C2 ZINC001172132745 905345022 /nfs/dbraw/zinc/34/50/22/905345022.db2.gz NSHKSXGTRRZHOG-SFNKJDCFSA-N 2 1 379.342 3.918 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@H](Oc3cccc(Br)c3)C1)C2 ZINC001172132745 905345035 /nfs/dbraw/zinc/34/50/35/905345035.db2.gz NSHKSXGTRRZHOG-SFNKJDCFSA-N 2 1 379.342 3.918 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cc(F)c(F)c(F)c3)CC1)C2 ZINC001172107783 905357407 /nfs/dbraw/zinc/35/74/07/905357407.db2.gz CEVFPGJGSXJDMV-BCDXTJNWSA-N 2 1 381.486 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cc(F)c(F)c(F)c3)CC1)C2 ZINC001172107783 905357422 /nfs/dbraw/zinc/35/74/22/905357422.db2.gz CEVFPGJGSXJDMV-BCDXTJNWSA-N 2 1 381.486 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(OCC(=O)OC(C)(C)C)cc1)C2 ZINC001172111907 905359429 /nfs/dbraw/zinc/35/94/29/905359429.db2.gz YGKMSLFYTBTLDX-ACDBMABISA-N 2 1 388.552 3.555 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)c3ccccc3)cc1)C2 ZINC001172112055 905359556 /nfs/dbraw/zinc/35/95/56/905359556.db2.gz ZZMNLJCXZLANLB-ACDBMABISA-N 2 1 384.545 3.624 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172110929 905360225 /nfs/dbraw/zinc/36/02/25/905360225.db2.gz MBIWKKOYNSUKQL-VDHDWPQNSA-N 2 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172110929 905360233 /nfs/dbraw/zinc/36/02/33/905360233.db2.gz MBIWKKOYNSUKQL-VDHDWPQNSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172110929 905360247 /nfs/dbraw/zinc/36/02/47/905360247.db2.gz MBIWKKOYNSUKQL-VDHDWPQNSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172110929 905360265 /nfs/dbraw/zinc/36/02/65/905360265.db2.gz MBIWKKOYNSUKQL-VDHDWPQNSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172110929 905360282 /nfs/dbraw/zinc/36/02/82/905360282.db2.gz MBIWKKOYNSUKQL-VDHDWPQNSA-N 3 1 399.579 3.560 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172114178 905364711 /nfs/dbraw/zinc/36/47/11/905364711.db2.gz BJQRFMSYLHUASK-MJCUULBUSA-N 2 1 376.548 3.674 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001172114178 905364730 /nfs/dbraw/zinc/36/47/30/905364730.db2.gz BJQRFMSYLHUASK-MJCUULBUSA-N 2 1 376.548 3.674 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001172114178 905364748 /nfs/dbraw/zinc/36/47/48/905364748.db2.gz BJQRFMSYLHUASK-MJCUULBUSA-N 2 1 376.548 3.674 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H]3CCCC[C@H]3C[C@H]1C(=O)NC(C)(C)C)C2 ZINC001172121015 905377635 /nfs/dbraw/zinc/37/76/35/905377635.db2.gz BJBSAGRENZSMQL-ZJKGHYPUSA-N 2 1 375.601 3.797 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H]3CCCC[C@H]3C[C@H]1C(=O)NC(C)(C)C)C2 ZINC001172121015 905377655 /nfs/dbraw/zinc/37/76/55/905377655.db2.gz BJBSAGRENZSMQL-ZJKGHYPUSA-N 2 1 375.601 3.797 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H]3CCCC[C@H]3C[C@H]1C(=O)NC(C)(C)C)C2 ZINC001172121015 905377674 /nfs/dbraw/zinc/37/76/74/905377674.db2.gz BJBSAGRENZSMQL-ZJKGHYPUSA-N 2 1 375.601 3.797 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122031 905383270 /nfs/dbraw/zinc/38/32/70/905383270.db2.gz VRADTDKFPGAYGS-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122031 905383285 /nfs/dbraw/zinc/38/32/85/905383285.db2.gz VRADTDKFPGAYGS-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122031 905383299 /nfs/dbraw/zinc/38/32/99/905383299.db2.gz VRADTDKFPGAYGS-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC001172211519 905411754 /nfs/dbraw/zinc/41/17/54/905411754.db2.gz HDWXBYQVCAMBTN-PJABQADQSA-N 2 1 378.944 3.623 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC001172211519 905411762 /nfs/dbraw/zinc/41/17/62/905411762.db2.gz HDWXBYQVCAMBTN-PJABQADQSA-N 2 1 378.944 3.623 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001172467344 905579702 /nfs/dbraw/zinc/57/97/02/905579702.db2.gz QMFVURKHDVFNQO-IRLDBZIGSA-N 2 1 389.584 3.588 20 0 GHADMP Cn1cc[nH+]c1N([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001172539690 905643870 /nfs/dbraw/zinc/64/38/70/905643870.db2.gz DDVLUFYIOUBBJD-BHIFYINESA-N 2 1 394.563 3.864 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001172601887 905662071 /nfs/dbraw/zinc/66/20/71/905662071.db2.gz HDNRVEFMOADEFY-LSDHHAIUSA-N 2 1 384.442 3.687 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172637835 905699107 /nfs/dbraw/zinc/69/91/07/905699107.db2.gz SOOJREBOTAFRKV-VQIMIIECSA-N 2 1 398.469 3.991 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172637835 905699119 /nfs/dbraw/zinc/69/91/19/905699119.db2.gz SOOJREBOTAFRKV-VQIMIIECSA-N 2 1 398.469 3.991 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001172807404 905838338 /nfs/dbraw/zinc/83/83/38/905838338.db2.gz MYEOFVUNLGZZCL-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001172807404 905838352 /nfs/dbraw/zinc/83/83/52/905838352.db2.gz MYEOFVUNLGZZCL-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001173073369 906167432 /nfs/dbraw/zinc/16/74/32/906167432.db2.gz NNOZPPOQLDKOPM-MJGOQNOKSA-N 2 1 388.556 3.736 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173110488 906196981 /nfs/dbraw/zinc/19/69/81/906196981.db2.gz TYCCGZKPEFLZSD-AJTFCVKESA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)CC1 ZINC001173111239 906199356 /nfs/dbraw/zinc/19/93/56/906199356.db2.gz TWFBOJOYUOMUIY-UBVWURDFSA-N 2 1 398.595 3.549 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173113237 906201090 /nfs/dbraw/zinc/20/10/90/906201090.db2.gz IFEMLBNETAYLKS-JCYILVPMSA-N 2 1 389.531 3.874 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCc3ncsc3C2)cc1 ZINC001173132469 906214559 /nfs/dbraw/zinc/21/45/59/906214559.db2.gz QZMIOKBLFOUEBB-FHWLQOOXSA-N 2 1 399.560 3.559 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154198 906241628 /nfs/dbraw/zinc/24/16/28/906241628.db2.gz LEPQULUXLGXDGU-FDDCHVKYSA-N 2 1 396.531 3.968 20 0 GHADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001173260497 906343328 /nfs/dbraw/zinc/34/33/28/906343328.db2.gz LTYQKMXNYVGQBP-YPAWHYETSA-N 2 1 377.617 3.998 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)s2)cc1 ZINC000178522201 906354857 /nfs/dbraw/zinc/35/48/57/906354857.db2.gz TVHDNUWPZKSTHN-HNNXBMFYSA-N 2 1 389.565 3.625 20 0 GHADMP CC[N@H+]1CC[C@@H](n2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)c3ccnc2-3)C1 ZINC001173361148 906395216 /nfs/dbraw/zinc/39/52/16/906395216.db2.gz SGDRBPINJILZAP-CRAIPNDOSA-N 2 1 377.492 3.527 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC001173401503 906428518 /nfs/dbraw/zinc/42/85/18/906428518.db2.gz LCDKQYWQXRFZOA-XUTJKUGGSA-N 2 1 399.579 3.814 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173481363 906480750 /nfs/dbraw/zinc/48/07/50/906480750.db2.gz LYMRMNLCIUZHIB-UHFFFAOYSA-N 2 1 379.539 3.562 20 0 GHADMP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388711 906489966 /nfs/dbraw/zinc/48/99/66/906489966.db2.gz PCIOVQNEHAZUCF-KRWDZBQOSA-N 2 1 392.507 3.826 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173718926 906669111 /nfs/dbraw/zinc/66/91/11/906669111.db2.gz FDEANQHGWCQKKM-NQSCKRDGSA-N 2 1 381.520 3.571 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000180031907 906670298 /nfs/dbraw/zinc/67/02/98/906670298.db2.gz WJMWAWQBFSVBCH-XMMPIXPASA-N 2 1 393.531 3.588 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000180472132 906777555 /nfs/dbraw/zinc/77/75/55/906777555.db2.gz XZTLHJZGIZWMQH-RUZDIDTESA-N 2 1 387.527 3.918 20 0 GHADMP O=C(CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1Cc2ccccc2C1 ZINC000180755993 906836815 /nfs/dbraw/zinc/83/68/15/906836815.db2.gz CJLDCUTVELVBKY-UHFFFAOYSA-N 2 1 391.559 3.606 20 0 GHADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1C(F)(F)F ZINC000629519786 906852701 /nfs/dbraw/zinc/85/27/01/906852701.db2.gz HJGJCKJYGLXJHK-SNVBAGLBSA-N 2 1 381.236 3.626 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000629601018 906892494 /nfs/dbraw/zinc/89/24/94/906892494.db2.gz DJOQLOISGDWUIM-QFIPXVFZSA-N 2 1 377.488 3.618 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000629601018 906892503 /nfs/dbraw/zinc/89/25/03/906892503.db2.gz DJOQLOISGDWUIM-QFIPXVFZSA-N 2 1 377.488 3.618 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000629601041 906894222 /nfs/dbraw/zinc/89/42/22/906894222.db2.gz FCOSEYMHUJXBFI-UHFFFAOYSA-N 2 1 383.536 3.827 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000629601041 906894234 /nfs/dbraw/zinc/89/42/34/906894234.db2.gz FCOSEYMHUJXBFI-UHFFFAOYSA-N 2 1 383.536 3.827 20 0 GHADMP COCc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1OC ZINC000182228918 907163929 /nfs/dbraw/zinc/16/39/29/907163929.db2.gz BZYFPMMBTUSUGI-FDDCHVKYSA-N 2 1 398.547 3.649 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779478599 907294902 /nfs/dbraw/zinc/29/49/02/907294902.db2.gz UDGBGEQBESXQMJ-UHFFFAOYSA-N 2 1 387.568 3.697 20 0 GHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@]2(C1)C[NH+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690414 907695081 /nfs/dbraw/zinc/69/50/81/907695081.db2.gz XYJDVPAYHUVKGN-JRFVFWCSSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690414 907695087 /nfs/dbraw/zinc/69/50/87/907695087.db2.gz XYJDVPAYHUVKGN-JRFVFWCSSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690414 907695092 /nfs/dbraw/zinc/69/50/92/907695092.db2.gz XYJDVPAYHUVKGN-JRFVFWCSSA-N 2 1 385.596 3.615 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678808 907811747 /nfs/dbraw/zinc/81/17/47/907811747.db2.gz UZPZYRDLTLWIFA-INDMIFKZSA-N 2 1 387.568 3.504 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678808 907811759 /nfs/dbraw/zinc/81/17/59/907811759.db2.gz UZPZYRDLTLWIFA-INDMIFKZSA-N 2 1 387.568 3.504 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001176433498 908089344 /nfs/dbraw/zinc/08/93/44/908089344.db2.gz UAXRJRUNTZMGIC-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000632902831 908135860 /nfs/dbraw/zinc/13/58/60/908135860.db2.gz YQOSEWLWHRRCFO-IBGZPJMESA-N 2 1 383.540 3.955 20 0 GHADMP C[N@H+](Cc1ccccc1Nc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC001176634619 908190989 /nfs/dbraw/zinc/19/09/89/908190989.db2.gz XELDZXDJSGHWDI-UHFFFAOYSA-N 2 1 394.567 3.737 20 0 GHADMP C[N@@H+](Cc1ccccc1Nc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC001176634619 908191000 /nfs/dbraw/zinc/19/10/00/908191000.db2.gz XELDZXDJSGHWDI-UHFFFAOYSA-N 2 1 394.567 3.737 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1Cl ZINC001176880256 908285654 /nfs/dbraw/zinc/28/56/54/908285654.db2.gz UDOIAWRZGLCATF-UHFFFAOYSA-N 2 1 380.960 3.940 20 0 GHADMP C[C@H](c1ccccc1Br)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176879236 908285952 /nfs/dbraw/zinc/28/59/52/908285952.db2.gz FZLQFOGYELSFJS-MRXNPFEDSA-N 2 1 381.358 3.823 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2CC(F)(F)F)c2cccs2)CC1 ZINC001177104678 908409900 /nfs/dbraw/zinc/40/99/00/908409900.db2.gz ZBPFBFQAQWZKDD-SFHVURJKSA-N 2 1 397.510 3.931 20 0 GHADMP CN(C)c1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001178290979 908989283 /nfs/dbraw/zinc/98/92/83/908989283.db2.gz OWGJUBFNGPQLPU-IBGZPJMESA-N 2 1 387.955 3.653 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC001178462394 909064491 /nfs/dbraw/zinc/06/44/91/909064491.db2.gz DOCDIJNRLRJCMV-LJQANCHMSA-N 2 1 381.907 3.745 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000635951239 909391177 /nfs/dbraw/zinc/39/11/77/909391177.db2.gz YKMMVGCOHSSBQR-UHFFFAOYSA-N 2 1 380.536 3.521 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000267345016 909459066 /nfs/dbraw/zinc/45/90/66/909459066.db2.gz CCMAXRQJVRVZAD-AUSIDOKSSA-N 2 1 388.515 3.572 20 0 GHADMP COCCOC[C@H]1CC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001179854347 909770889 /nfs/dbraw/zinc/77/08/89/909770889.db2.gz FGWUPRNXNJGJKA-LADGPHEKSA-N 2 1 388.596 3.910 20 0 GHADMP COCCOC[C@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001179854347 909770897 /nfs/dbraw/zinc/77/08/97/909770897.db2.gz FGWUPRNXNJGJKA-LADGPHEKSA-N 2 1 388.596 3.910 20 0 GHADMP COCCOC[C@H]1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001179854347 909770902 /nfs/dbraw/zinc/77/09/02/909770902.db2.gz FGWUPRNXNJGJKA-LADGPHEKSA-N 2 1 388.596 3.910 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC001180031109 909900497 /nfs/dbraw/zinc/90/04/97/909900497.db2.gz VKCIRDXUVSWBHG-FQEVSTJZSA-N 2 1 379.589 3.689 20 0 GHADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000637849972 909987063 /nfs/dbraw/zinc/98/70/63/909987063.db2.gz TXKSJEHEKQLFGM-CWJKEVGVSA-N 2 1 397.588 3.550 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637899033 909999713 /nfs/dbraw/zinc/99/97/13/909999713.db2.gz BDXKOWIZKRAWOD-JOCHJYFZSA-N 2 1 395.522 3.873 20 0 GHADMP C[C@@H]1c2ccccc2CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637986238 910021299 /nfs/dbraw/zinc/02/12/99/910021299.db2.gz KRIMZDORKRTVJS-LJQANCHMSA-N 2 1 377.532 3.516 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000268806979 910025809 /nfs/dbraw/zinc/02/58/09/910025809.db2.gz JPWMGDYXZNYARD-GBXCKJPGSA-N 2 1 391.559 3.809 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001180266946 910054949 /nfs/dbraw/zinc/05/49/49/910054949.db2.gz IRXWZQPPNFGQEE-NRFANRHFSA-N 2 1 387.568 3.699 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001180266946 910054960 /nfs/dbraw/zinc/05/49/60/910054960.db2.gz IRXWZQPPNFGQEE-NRFANRHFSA-N 2 1 387.568 3.699 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001180266946 910054969 /nfs/dbraw/zinc/05/49/69/910054969.db2.gz IRXWZQPPNFGQEE-NRFANRHFSA-N 2 1 387.568 3.699 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cc2cccc(Cl)c2Br)CC1 ZINC001180289104 910075573 /nfs/dbraw/zinc/07/55/73/910075573.db2.gz SUDOTZNQMMHVNM-UHFFFAOYSA-N 2 1 375.738 3.645 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[C@H]1[NH3+] ZINC000638207721 910087277 /nfs/dbraw/zinc/08/72/77/910087277.db2.gz OFHOJGXUKZGVAJ-XRXFAXGQSA-N 2 1 397.588 3.550 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)C1CC[NH+](C)CC1 ZINC000246108371 910104521 /nfs/dbraw/zinc/10/45/21/910104521.db2.gz JQRBUZRGOAHANG-JTHBVZDNSA-N 2 1 397.563 3.898 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638352493 910129684 /nfs/dbraw/zinc/12/96/84/910129684.db2.gz NRMBUNUTXSEKOP-JTHBVZDNSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638352493 910129691 /nfs/dbraw/zinc/12/96/91/910129691.db2.gz NRMBUNUTXSEKOP-JTHBVZDNSA-N 2 1 393.531 3.842 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCN(c4ccccc4)C3)CC2)oc1C ZINC000638524852 910170917 /nfs/dbraw/zinc/17/09/17/910170917.db2.gz SAKFQZAUEDQELP-NRFANRHFSA-N 2 1 382.552 3.620 20 0 GHADMP c1ccc([C@H]2C[C@H](NCC3([NH+]4CCCC4)CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638558142 910188199 /nfs/dbraw/zinc/18/81/99/910188199.db2.gz NTIQHVBAGKRBLD-FYYLOGMGSA-N 2 1 383.580 3.589 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000638707604 910215677 /nfs/dbraw/zinc/21/56/77/910215677.db2.gz JSCWMLRHWNSWEB-UTRMSSBJSA-N 2 1 380.374 3.657 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000638707604 910215692 /nfs/dbraw/zinc/21/56/92/910215692.db2.gz JSCWMLRHWNSWEB-UTRMSSBJSA-N 2 1 380.374 3.657 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000638707581 910216196 /nfs/dbraw/zinc/21/61/96/910216196.db2.gz JSCWMLRHWNSWEB-AXUOBQJMSA-N 2 1 380.374 3.657 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000638707581 910216210 /nfs/dbraw/zinc/21/62/10/910216210.db2.gz JSCWMLRHWNSWEB-AXUOBQJMSA-N 2 1 380.374 3.657 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638855677 910252773 /nfs/dbraw/zinc/25/27/73/910252773.db2.gz HHWWZRGYHKRSHM-GMAHTHKFSA-N 2 1 398.572 3.689 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638855677 910252791 /nfs/dbraw/zinc/25/27/91/910252791.db2.gz HHWWZRGYHKRSHM-GMAHTHKFSA-N 2 1 398.572 3.689 20 0 GHADMP C[C@H](NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908269 910273744 /nfs/dbraw/zinc/27/37/44/910273744.db2.gz ZTTVDPFNGYPSJY-FDDCHVKYSA-N 2 1 381.568 3.813 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)CC[N@H+]1C ZINC000638949151 910282587 /nfs/dbraw/zinc/28/25/87/910282587.db2.gz YROTWGYWMABMIM-AVRDEDQJSA-N 2 1 375.520 3.566 20 0 GHADMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639081277 910308052 /nfs/dbraw/zinc/30/80/52/910308052.db2.gz XHUVUKVWPOPDRO-CWKRKGSWSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000639081277 910308063 /nfs/dbraw/zinc/30/80/63/910308063.db2.gz XHUVUKVWPOPDRO-CWKRKGSWSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639244417 910362827 /nfs/dbraw/zinc/36/28/27/910362827.db2.gz ILJKFZDAVDILSG-CSGUBPAMSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639244417 910362843 /nfs/dbraw/zinc/36/28/43/910362843.db2.gz ILJKFZDAVDILSG-CSGUBPAMSA-N 2 1 380.536 3.598 20 0 GHADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000639316558 910384718 /nfs/dbraw/zinc/38/47/18/910384718.db2.gz LEXWLLUZTLFARD-QGZVFWFLSA-N 2 1 399.398 3.562 20 0 GHADMP Cn1c2cc(C[NH2+][C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)ccc2oc1=O ZINC000639353408 910397493 /nfs/dbraw/zinc/39/74/93/910397493.db2.gz SDBQLPRTJXTURI-ICSRJNTNSA-N 2 1 377.488 3.589 20 0 GHADMP Cn1c2cc(C[NH2+][C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)ccc2oc1=O ZINC000639353408 910397497 /nfs/dbraw/zinc/39/74/97/910397497.db2.gz SDBQLPRTJXTURI-ICSRJNTNSA-N 2 1 377.488 3.589 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H](C)c1cccc(Br)c1 ZINC001181489080 910793170 /nfs/dbraw/zinc/79/31/70/910793170.db2.gz VWDDMVVRYWVJCC-YLJYHZDGSA-N 2 1 396.417 3.901 20 0 GHADMP [NH3+]C1(CC2CCC2)CCN(C(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)CC1 ZINC001181496136 910800445 /nfs/dbraw/zinc/80/04/45/910800445.db2.gz YUVWRGYGCKLPHZ-UHFFFAOYSA-N 2 1 381.564 3.551 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000271532783 910945931 /nfs/dbraw/zinc/94/59/31/910945931.db2.gz PTVXYWGDVHXXHG-SOKVYYICSA-N 2 1 388.552 3.921 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640565515 911066759 /nfs/dbraw/zinc/06/67/59/911066759.db2.gz YNEPNGDCNARRGB-NRFANRHFSA-N 2 1 395.551 3.519 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926671 921635768 /nfs/dbraw/zinc/63/57/68/921635768.db2.gz YOYHGTALFVNAMS-ICSRJNTNSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926671 921635777 /nfs/dbraw/zinc/63/57/77/921635777.db2.gz YOYHGTALFVNAMS-ICSRJNTNSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926671 921635780 /nfs/dbraw/zinc/63/57/80/921635780.db2.gz YOYHGTALFVNAMS-ICSRJNTNSA-N 2 1 379.589 3.687 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182042027 911144752 /nfs/dbraw/zinc/14/47/52/911144752.db2.gz SCFBWRANONQWFK-UHFFFAOYSA-N 2 1 393.575 3.879 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000801934494 921647023 /nfs/dbraw/zinc/64/70/23/921647023.db2.gz NQDVFTGGCINEQG-SBHAEUEKSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000801934494 921647024 /nfs/dbraw/zinc/64/70/24/921647024.db2.gz NQDVFTGGCINEQG-SBHAEUEKSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000801934494 921647025 /nfs/dbraw/zinc/64/70/25/921647025.db2.gz NQDVFTGGCINEQG-SBHAEUEKSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000801934494 921647033 /nfs/dbraw/zinc/64/70/33/921647033.db2.gz NQDVFTGGCINEQG-SBHAEUEKSA-N 2 1 391.600 3.972 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182248286 911342157 /nfs/dbraw/zinc/34/21/57/911342157.db2.gz ZVAHVUBNJXTEBR-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182248286 911342178 /nfs/dbraw/zinc/34/21/78/911342178.db2.gz ZVAHVUBNJXTEBR-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001182248286 911342195 /nfs/dbraw/zinc/34/21/95/911342195.db2.gz ZVAHVUBNJXTEBR-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001182248286 911342215 /nfs/dbraw/zinc/34/22/15/911342215.db2.gz ZVAHVUBNJXTEBR-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-n2ccnc2)nc1 ZINC000283129334 911380766 /nfs/dbraw/zinc/38/07/66/911380766.db2.gz ZPWYHJMAOJWHME-NRFANRHFSA-N 2 1 375.520 3.658 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(-n2ccnc2)nc1 ZINC000283129334 911380786 /nfs/dbraw/zinc/38/07/86/911380786.db2.gz ZPWYHJMAOJWHME-NRFANRHFSA-N 2 1 375.520 3.658 20 0 GHADMP COc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000284110882 911755959 /nfs/dbraw/zinc/75/59/59/911755959.db2.gz CDJFXGBRESJYHJ-BEFAXECRSA-N 2 1 389.927 3.551 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000642305317 911964451 /nfs/dbraw/zinc/96/44/51/911964451.db2.gz XNWRBWKWLOQKFM-UHFFFAOYSA-N 2 1 391.559 3.939 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000285076058 912152005 /nfs/dbraw/zinc/15/20/05/912152005.db2.gz JJPPNXNRKRSEEZ-UEUFPXFLSA-N 2 1 382.548 3.504 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000291143682 915003053 /nfs/dbraw/zinc/00/30/53/915003053.db2.gz GKAXYLAYJUJYTK-IBGZPJMESA-N 2 1 392.547 3.922 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC001187037399 915010699 /nfs/dbraw/zinc/01/06/99/915010699.db2.gz ZTOKQZFEYSHQAN-HBFSDRIKSA-N 2 1 393.522 3.695 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC001187037399 915010716 /nfs/dbraw/zinc/01/07/16/915010716.db2.gz ZTOKQZFEYSHQAN-HBFSDRIKSA-N 2 1 393.522 3.695 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(F)(F)C[C@H]1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001187037399 915010732 /nfs/dbraw/zinc/01/07/32/915010732.db2.gz ZTOKQZFEYSHQAN-HBFSDRIKSA-N 2 1 393.522 3.695 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(F)(F)C[C@H]1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001187037399 915010750 /nfs/dbraw/zinc/01/07/50/915010750.db2.gz ZTOKQZFEYSHQAN-HBFSDRIKSA-N 2 1 393.522 3.695 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnn(-c4ccccc4C)c3)CC2)oc1C ZINC000647182766 915074440 /nfs/dbraw/zinc/07/44/40/915074440.db2.gz RXVZIYCOOPMZNL-UHFFFAOYSA-N 2 1 393.535 3.787 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000647344741 915165072 /nfs/dbraw/zinc/16/50/72/915165072.db2.gz YGJWDTVXGNHMFF-KWOQKUFVSA-N 2 1 379.548 3.519 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543465 915318079 /nfs/dbraw/zinc/31/80/79/915318079.db2.gz ODVQBDJJQQKGOU-CVEARBPZSA-N 2 1 391.357 3.617 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975468 915457708 /nfs/dbraw/zinc/45/77/08/915457708.db2.gz ASONZECAYRUAOI-HZPDHXFCSA-N 2 1 394.441 3.967 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647975976 915458137 /nfs/dbraw/zinc/45/81/37/915458137.db2.gz IJMBIYSOKQJNEZ-PBWTXFEYSA-N 2 1 377.960 3.617 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000648735423 915844621 /nfs/dbraw/zinc/84/46/21/915844621.db2.gz PIXJSAPGQDHEKU-IBGZPJMESA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000648763145 915870816 /nfs/dbraw/zinc/87/08/16/915870816.db2.gz FYZBBCPIAWECNF-KRWDZBQOSA-N 2 1 396.539 3.727 20 0 GHADMP CC1=C(C)C[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000648814784 915890294 /nfs/dbraw/zinc/89/02/94/915890294.db2.gz RZGQIPWAPRLKFM-OAQYLSRUSA-N 2 1 375.601 3.778 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000648863721 915914870 /nfs/dbraw/zinc/91/48/70/915914870.db2.gz UHEFGJVNLNTCPT-PBHICJAKSA-N 2 1 396.457 3.835 20 0 GHADMP CC[NH+](Cc1cc(C[N@@H+](CC)C[C@@H]2CCOC2)ccc1F)C[C@@H]1CCOC1 ZINC000649249422 916081647 /nfs/dbraw/zinc/08/16/47/916081647.db2.gz MGTFEQJOFHILJS-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)C[C@@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000649249422 916081661 /nfs/dbraw/zinc/08/16/61/916081661.db2.gz MGTFEQJOFHILJS-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)C[C@@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000649249422 916081678 /nfs/dbraw/zinc/08/16/78/916081678.db2.gz MGTFEQJOFHILJS-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000775205166 916282805 /nfs/dbraw/zinc/28/28/05/916282805.db2.gz QDNWDHVSHRCACH-UHFFFAOYSA-N 2 1 389.540 3.880 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000293811675 916398763 /nfs/dbraw/zinc/39/87/63/916398763.db2.gz CMXBPAPWZPZLAU-KRWDZBQOSA-N 2 1 379.504 3.539 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C[N@H+]1Cc1ccccc1 ZINC000775312833 916918594 /nfs/dbraw/zinc/91/85/94/916918594.db2.gz AONLYXUEVJZODD-UGKGYDQZSA-N 2 1 391.559 3.986 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000650417898 916971553 /nfs/dbraw/zinc/97/15/53/916971553.db2.gz GVCDDLNLROGFMV-PMACEKPBSA-N 2 1 388.581 3.623 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000362309658 917201779 /nfs/dbraw/zinc/20/17/79/917201779.db2.gz MMHYEHUSLOEMEN-UHFFFAOYSA-N 2 1 394.494 3.715 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cs1 ZINC000775388230 917346764 /nfs/dbraw/zinc/34/67/64/917346764.db2.gz QDBBLUBIKICMDB-LMMKCTJWSA-N 2 1 397.679 3.887 20 0 GHADMP COc1ccccc1CN1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001190801926 917573420 /nfs/dbraw/zinc/57/34/20/917573420.db2.gz OLVIUWKAXKFYAU-UHFFFAOYSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775498879 918401716 /nfs/dbraw/zinc/40/17/16/918401716.db2.gz OVRVGNMVUXPVAJ-CUWPLCDZSA-N 2 1 392.465 3.937 20 0 GHADMP C[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775498879 918401729 /nfs/dbraw/zinc/40/17/29/918401729.db2.gz OVRVGNMVUXPVAJ-CUWPLCDZSA-N 2 1 392.465 3.937 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000297022533 918985948 /nfs/dbraw/zinc/98/59/48/918985948.db2.gz VJXZJZPWHQGMTE-FRIKZZABSA-N 2 1 384.568 3.708 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000654482679 919145120 /nfs/dbraw/zinc/14/51/20/919145120.db2.gz VOLYLPAZNHKEFD-DQLDELGASA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000654482679 919145130 /nfs/dbraw/zinc/14/51/30/919145130.db2.gz VOLYLPAZNHKEFD-DQLDELGASA-N 2 1 381.524 3.558 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)CC1 ZINC000800328854 919913431 /nfs/dbraw/zinc/91/34/31/919913431.db2.gz VHRDGDNKBDCFBP-HXUWFJFHSA-N 2 1 379.976 3.599 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000800506137 920209870 /nfs/dbraw/zinc/20/98/70/920209870.db2.gz MAMZULMLGRJOJB-BXVPIJCMSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000800506137 920209885 /nfs/dbraw/zinc/20/98/85/920209885.db2.gz MAMZULMLGRJOJB-BXVPIJCMSA-N 2 1 391.559 3.849 20 0 GHADMP CN(C)c1ncc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000366981008 921855335 /nfs/dbraw/zinc/85/53/35/921855335.db2.gz JDQULUDVTMDKGY-KRIYCRJKSA-N 2 1 399.970 3.900 20 0 GHADMP C[C@H](NCc1ccccc1CN1CCOCC1)c1ccc(C(F)(F)F)cn1 ZINC000902727945 922440696 /nfs/dbraw/zinc/44/06/96/922440696.db2.gz HLEAAHHOFLCPKX-HNNXBMFYSA-N 2 1 379.426 3.783 20 0 GHADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)ccc21 ZINC000368090750 922467835 /nfs/dbraw/zinc/46/78/35/922467835.db2.gz UBJFWHFCDPCZMJ-LJQANCHMSA-N 2 1 393.535 3.689 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(-n2ccnc2)c1 ZINC000902948104 922630025 /nfs/dbraw/zinc/63/00/25/922630025.db2.gz PLLUZGWENZYNIC-YADARESESA-N 2 1 390.531 3.680 20 0 GHADMP CC(C)(C)OC(=O)NCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903192794 922843065 /nfs/dbraw/zinc/84/30/65/922843065.db2.gz ALUUGHSIQFBISV-VCSGRIEYSA-N 2 1 385.552 3.959 20 0 GHADMP O[C@H]1C[C@](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)(c2ccccc2)C1 ZINC000903277112 922903924 /nfs/dbraw/zinc/90/39/24/922903924.db2.gz WDQKVJMPNWDDFU-RQNOJGIXSA-N 2 1 382.523 3.515 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000369849763 923678507 /nfs/dbraw/zinc/67/85/07/923678507.db2.gz DACDPRCYUSZPQE-LJQANCHMSA-N 2 1 386.584 3.874 20 0 GHADMP CC(C)CC[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370266314 923996747 /nfs/dbraw/zinc/99/67/47/923996747.db2.gz SXNRRORZRPLPKE-IBGZPJMESA-N 2 1 380.621 3.649 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000371185624 924464672 /nfs/dbraw/zinc/46/46/72/924464672.db2.gz SYNWULXAIRCQHL-HSALFYBXSA-N 2 1 389.540 3.717 20 0 GHADMP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1Br ZINC000678296212 924712384 /nfs/dbraw/zinc/71/23/84/924712384.db2.gz WELHOCHARNRXQF-UHFFFAOYSA-N 2 1 394.401 3.748 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000409637472 924833068 /nfs/dbraw/zinc/83/30/68/924833068.db2.gz XLNLKLBWTBUWNS-HXUWFJFHSA-N 2 1 391.559 3.736 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000409637472 924833083 /nfs/dbraw/zinc/83/30/83/924833083.db2.gz XLNLKLBWTBUWNS-HXUWFJFHSA-N 2 1 391.559 3.736 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000409637469 924833568 /nfs/dbraw/zinc/83/35/68/924833568.db2.gz XLNLKLBWTBUWNS-FQEVSTJZSA-N 2 1 391.559 3.736 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000409637469 924833579 /nfs/dbraw/zinc/83/35/79/924833579.db2.gz XLNLKLBWTBUWNS-FQEVSTJZSA-N 2 1 391.559 3.736 20 0 GHADMP C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000679711893 925244144 /nfs/dbraw/zinc/24/41/44/925244144.db2.gz CAHGFSUQJAKPBR-XKCSPQBFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000679711893 925244151 /nfs/dbraw/zinc/24/41/51/925244151.db2.gz CAHGFSUQJAKPBR-XKCSPQBFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679711893 925244160 /nfs/dbraw/zinc/24/41/60/925244160.db2.gz CAHGFSUQJAKPBR-XKCSPQBFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)NCc1ccccc1 ZINC000680039089 925338428 /nfs/dbraw/zinc/33/84/28/925338428.db2.gz RKQMAHBTJQJMGW-ZNEWLNCYSA-N 2 1 391.559 3.582 20 0 GHADMP C[NH+]1CCC(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000680369157 925458971 /nfs/dbraw/zinc/45/89/71/925458971.db2.gz DOUCMGAWRWOMOI-UHFFFAOYSA-N 2 1 391.559 3.652 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000410324782 925533744 /nfs/dbraw/zinc/53/37/44/925533744.db2.gz UKVNKZCHQSUSPL-WOJBJXKFSA-N 2 1 386.584 3.522 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000410394079 925609021 /nfs/dbraw/zinc/60/90/21/925609021.db2.gz UCDLNCOLADHCLI-GHTZIAJQSA-N 2 1 398.551 3.614 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000410394079 925609023 /nfs/dbraw/zinc/60/90/23/925609023.db2.gz UCDLNCOLADHCLI-GHTZIAJQSA-N 2 1 398.551 3.614 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411400104 926364932 /nfs/dbraw/zinc/36/49/32/926364932.db2.gz NDZDTPCCMFEISX-QFIPXVFZSA-N 2 1 396.560 3.871 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000411400104 926364938 /nfs/dbraw/zinc/36/49/38/926364938.db2.gz NDZDTPCCMFEISX-QFIPXVFZSA-N 2 1 396.560 3.871 20 0 GHADMP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000827950864 926374653 /nfs/dbraw/zinc/37/46/53/926374653.db2.gz UNEQMEPEHVQALR-HOJAQTOUSA-N 2 1 379.589 3.734 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398003693 926485970 /nfs/dbraw/zinc/48/59/70/926485970.db2.gz GCKCHTYBZILLTB-NSHGMRRFSA-N 2 1 375.557 3.647 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398003693 926485973 /nfs/dbraw/zinc/48/59/73/926485973.db2.gz GCKCHTYBZILLTB-NSHGMRRFSA-N 2 1 375.557 3.647 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc3ccccc32)[C@H](C)C1 ZINC000411549824 926511184 /nfs/dbraw/zinc/51/11/84/926511184.db2.gz ICPPKUARWVVJTM-DENIHFKCSA-N 2 1 397.563 3.895 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000373934686 926572003 /nfs/dbraw/zinc/57/20/03/926572003.db2.gz QVGOYOZGLGAYNU-WOJBJXKFSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000373934686 926572010 /nfs/dbraw/zinc/57/20/10/926572010.db2.gz QVGOYOZGLGAYNU-WOJBJXKFSA-N 2 1 381.524 3.803 20 0 GHADMP CC(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000411722546 926695286 /nfs/dbraw/zinc/69/52/86/926695286.db2.gz VGKIUFSEPSLBON-GAKQGWLFSA-N 4 1 390.660 3.517 20 0 GHADMP CC(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411722546 926695290 /nfs/dbraw/zinc/69/52/90/926695290.db2.gz VGKIUFSEPSLBON-GAKQGWLFSA-N 4 1 390.660 3.517 20 0 GHADMP CC(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411722546 926695295 /nfs/dbraw/zinc/69/52/95/926695295.db2.gz VGKIUFSEPSLBON-GAKQGWLFSA-N 4 1 390.660 3.517 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000726978051 926969398 /nfs/dbraw/zinc/96/93/98/926969398.db2.gz NWLYHXLTUCDJJB-UHFFFAOYSA-N 2 1 384.549 3.653 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000374282713 926974925 /nfs/dbraw/zinc/97/49/25/926974925.db2.gz GYWRWDJDOIBXGM-UHFFFAOYSA-N 2 1 399.583 3.606 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000374282713 926974933 /nfs/dbraw/zinc/97/49/33/926974933.db2.gz GYWRWDJDOIBXGM-UHFFFAOYSA-N 3 1 399.583 3.606 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000374282713 926974937 /nfs/dbraw/zinc/97/49/37/926974937.db2.gz GYWRWDJDOIBXGM-UHFFFAOYSA-N 3 1 399.583 3.606 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000412196845 927197256 /nfs/dbraw/zinc/19/72/56/927197256.db2.gz CHDJJXWLIJZKJM-JTHBVZDNSA-N 2 1 381.564 3.761 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796919 927533191 /nfs/dbraw/zinc/53/31/91/927533191.db2.gz DJODXRFAVGZQKM-RTBURBONSA-N 2 1 387.572 3.592 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796919 927533195 /nfs/dbraw/zinc/53/31/95/927533195.db2.gz DJODXRFAVGZQKM-RTBURBONSA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796919 927533197 /nfs/dbraw/zinc/53/31/97/927533197.db2.gz DJODXRFAVGZQKM-RTBURBONSA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796919 927533201 /nfs/dbraw/zinc/53/32/01/927533201.db2.gz DJODXRFAVGZQKM-RTBURBONSA-N 2 1 387.572 3.592 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)cc2)C[C@@H](C)O1 ZINC000412555350 927569585 /nfs/dbraw/zinc/56/95/85/927569585.db2.gz BTBZTTFXBUOVFC-IAGOWNOFSA-N 2 1 399.510 3.749 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c1 ZINC000374872409 927636074 /nfs/dbraw/zinc/63/60/74/927636074.db2.gz DTZPFBWIQHRDPS-OAQYLSRUSA-N 2 1 394.563 3.871 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000751998732 928541457 /nfs/dbraw/zinc/54/14/57/928541457.db2.gz UJWPNJVILMDRCG-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000751998732 928541460 /nfs/dbraw/zinc/54/14/60/928541460.db2.gz UJWPNJVILMDRCG-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000751998732 928541470 /nfs/dbraw/zinc/54/14/70/928541470.db2.gz UJWPNJVILMDRCG-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCCN(Cc4ccccc4)C3)CCCC2)CC1 ZINC000544362078 929091664 /nfs/dbraw/zinc/09/16/64/929091664.db2.gz DNMIJMVBCCQBEF-JOCHJYFZSA-N 2 1 385.596 3.664 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000753096232 929202584 /nfs/dbraw/zinc/20/25/84/929202584.db2.gz DIGLLEPFBWRGJN-DNVJHFABSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000753547373 929405223 /nfs/dbraw/zinc/40/52/23/929405223.db2.gz PLKGPGZFEZCCIY-FUHWJXTLSA-N 2 1 399.539 3.701 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000467838625 929490719 /nfs/dbraw/zinc/49/07/19/929490719.db2.gz JPBMODXGUWEPLC-DENIHFKCSA-N 2 1 397.563 3.733 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccnn1-c1ccccc1 ZINC000545980856 929743075 /nfs/dbraw/zinc/74/30/75/929743075.db2.gz LMTXDKXSHZHULH-GHTZIAJQSA-N 2 1 395.576 3.573 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440742 929889875 /nfs/dbraw/zinc/88/98/75/929889875.db2.gz MNKJLJQSFOHVLJ-FCHUYYIVSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440742 929889883 /nfs/dbraw/zinc/88/98/83/929889883.db2.gz MNKJLJQSFOHVLJ-FCHUYYIVSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440742 929889887 /nfs/dbraw/zinc/88/98/87/929889887.db2.gz MNKJLJQSFOHVLJ-FCHUYYIVSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000546180722 929933510 /nfs/dbraw/zinc/93/35/10/929933510.db2.gz PGLIZDQOIABBQJ-JTSKRJEESA-N 2 1 399.966 3.758 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000759763189 930480850 /nfs/dbraw/zinc/48/08/50/930480850.db2.gz DTOFDSFLUHOMIQ-HXUWFJFHSA-N 2 1 382.552 3.888 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000759763189 930480854 /nfs/dbraw/zinc/48/08/54/930480854.db2.gz DTOFDSFLUHOMIQ-HXUWFJFHSA-N 2 1 382.552 3.888 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](Cc3ccc(Cl)cc3)C(N)=O)cc2)C1 ZINC000546887687 930511145 /nfs/dbraw/zinc/51/11/45/930511145.db2.gz DJWGKANDCQYMCJ-VGOFRKELSA-N 2 1 399.966 3.758 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780879999 930624818 /nfs/dbraw/zinc/62/48/18/930624818.db2.gz WWLCNURRSWKZFB-DENIHFKCSA-N 2 1 377.532 3.814 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780880006 930625169 /nfs/dbraw/zinc/62/51/69/930625169.db2.gz WWLCNURRSWKZFB-SIKLNZKXSA-N 2 1 377.532 3.814 20 0 GHADMP CCCN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470478645 930648460 /nfs/dbraw/zinc/64/84/60/930648460.db2.gz WGFQRWJXUDURQR-QHCPKHFHSA-N 2 1 377.532 3.807 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000470525597 930683673 /nfs/dbraw/zinc/68/36/73/930683673.db2.gz IZNUXZNKXVPISD-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3cc(C)ccc3n2C)CC1 ZINC000470539896 930696357 /nfs/dbraw/zinc/69/63/57/930696357.db2.gz OHXBERCAXLSSGF-UHFFFAOYSA-N 2 1 391.563 3.704 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470888789 931001929 /nfs/dbraw/zinc/00/19/29/931001929.db2.gz AJVJBUFHIOOUBR-VXKWHMMOSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470888789 931001934 /nfs/dbraw/zinc/00/19/34/931001934.db2.gz AJVJBUFHIOOUBR-VXKWHMMOSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470888789 931001943 /nfs/dbraw/zinc/00/19/43/931001943.db2.gz AJVJBUFHIOOUBR-VXKWHMMOSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000557114388 931217256 /nfs/dbraw/zinc/21/72/56/931217256.db2.gz NMWVRUJCFMPXQT-OFNKIYASSA-N 2 1 398.595 3.831 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000782778336 931333625 /nfs/dbraw/zinc/33/36/25/931333625.db2.gz LLBJHCKGEYCNLS-LOSJGSFVSA-N 2 1 394.559 3.901 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000783307387 931516652 /nfs/dbraw/zinc/51/66/52/931516652.db2.gz FAZIDYRRGRVZDM-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000557611922 931573289 /nfs/dbraw/zinc/57/32/89/931573289.db2.gz VHEXYDNOBXADNE-NOZRDPDXSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557611922 931573292 /nfs/dbraw/zinc/57/32/92/931573292.db2.gz VHEXYDNOBXADNE-NOZRDPDXSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557611922 931573296 /nfs/dbraw/zinc/57/32/96/931573296.db2.gz VHEXYDNOBXADNE-NOZRDPDXSA-N 2 1 395.591 3.908 20 0 GHADMP CCC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ncccc1Cl ZINC000924918831 931585097 /nfs/dbraw/zinc/58/50/97/931585097.db2.gz FCXYVAHAHNILNY-IBGZPJMESA-N 2 1 388.943 3.657 20 0 GHADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000925089479 931641433 /nfs/dbraw/zinc/64/14/33/931641433.db2.gz JVJTZECOFMJYSY-VKSDOSABSA-N 2 1 397.485 3.735 20 0 GHADMP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000925089479 931641445 /nfs/dbraw/zinc/64/14/45/931641445.db2.gz JVJTZECOFMJYSY-VKSDOSABSA-N 2 1 397.485 3.735 20 0 GHADMP [NH3+]CCC[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccccc1 ZINC000925540380 931816064 /nfs/dbraw/zinc/81/60/64/931816064.db2.gz BZAAREZPYQIQNS-FQEVSTJZSA-N 2 1 394.544 3.643 20 0 GHADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(Br)n3)C2)nc(C)[nH+]1 ZINC000925828400 931917460 /nfs/dbraw/zinc/91/74/60/931917460.db2.gz FYFSXZPKOOJKIV-DZGCQCFKSA-N 2 1 390.329 3.571 20 0 GHADMP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000925885771 931936466 /nfs/dbraw/zinc/93/64/66/931936466.db2.gz AATORJQVBYIUBV-LWUNOODGSA-N 3 1 375.560 3.831 20 0 GHADMP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000925885771 931936469 /nfs/dbraw/zinc/93/64/69/931936469.db2.gz AATORJQVBYIUBV-LWUNOODGSA-N 2 1 375.560 3.831 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000784573768 931944627 /nfs/dbraw/zinc/94/46/27/931944627.db2.gz YBGFUTRBPOZBMM-SFHVURJKSA-N 2 1 391.519 3.908 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796835614 932084249 /nfs/dbraw/zinc/08/42/49/932084249.db2.gz DEDIMNSUNRGWDV-QZTJIDSGSA-N 2 1 390.572 3.869 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796835614 932084258 /nfs/dbraw/zinc/08/42/58/932084258.db2.gz DEDIMNSUNRGWDV-QZTJIDSGSA-N 2 1 390.572 3.869 20 0 GHADMP CC[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000558821326 932254179 /nfs/dbraw/zinc/25/41/79/932254179.db2.gz XONKSKMDZBBACU-XMMPIXPASA-N 2 1 391.559 3.849 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000558831992 932262323 /nfs/dbraw/zinc/26/23/23/932262323.db2.gz SANMXYXUQHXJRT-DEOSSOPVSA-N 2 1 391.559 3.923 20 0 GHADMP CN(CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000797966053 932474415 /nfs/dbraw/zinc/47/44/15/932474415.db2.gz FZYUCKKLBKJHRF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000797966053 932474419 /nfs/dbraw/zinc/47/44/19/932474419.db2.gz FZYUCKKLBKJHRF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000797966053 932474423 /nfs/dbraw/zinc/47/44/23/932474423.db2.gz FZYUCKKLBKJHRF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798498679 932673859 /nfs/dbraw/zinc/67/38/59/932673859.db2.gz XKTTWMUPTXCXCX-XMMPIXPASA-N 2 1 385.596 3.915 20 0 GHADMP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798935185 932822868 /nfs/dbraw/zinc/82/28/68/932822868.db2.gz NBTGDTCOHMJEJM-YADARESESA-N 2 1 395.547 3.914 20 0 GHADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935407 932822961 /nfs/dbraw/zinc/82/29/61/932822961.db2.gz PZNTWXOJKNEHIQ-RDPSFJRHSA-N 2 1 379.548 3.930 20 0 GHADMP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935681 932823510 /nfs/dbraw/zinc/82/35/10/932823510.db2.gz RNVZCMIPWYQJAF-SQJMNOBHSA-N 2 1 393.575 3.626 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799123737 932882260 /nfs/dbraw/zinc/88/22/60/932882260.db2.gz GCTMZMWDZADEAN-JOCHJYFZSA-N 2 1 387.568 3.699 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1C ZINC000799124975 932883335 /nfs/dbraw/zinc/88/33/35/932883335.db2.gz CZRFQGRGGLVXNN-DENIHFKCSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1C ZINC000799124975 932883339 /nfs/dbraw/zinc/88/33/39/932883339.db2.gz CZRFQGRGGLVXNN-DENIHFKCSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1C ZINC000799124975 932883348 /nfs/dbraw/zinc/88/33/48/932883348.db2.gz CZRFQGRGGLVXNN-DENIHFKCSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c2ccccc2S1 ZINC000799177280 932899112 /nfs/dbraw/zinc/89/91/12/932899112.db2.gz PDCCFRWBTPMQTK-GOSISDBHSA-N 2 1 387.593 3.712 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N(Cc3ccco3)c3ccccc3)C2)CC1 ZINC000799178479 932900163 /nfs/dbraw/zinc/90/01/63/932900163.db2.gz WAYVUQVWCDGCGU-UHFFFAOYSA-N 2 1 381.520 3.621 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3[C@H](C)c3ccccc3)CC2)CC1 ZINC000928387514 932960396 /nfs/dbraw/zinc/96/03/96/932960396.db2.gz WBZZKGMOGXWDDM-YKSBVNFPSA-N 2 1 397.607 3.977 20 0 GHADMP Cc1ccc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(OCC[NH+](C)C)c1 ZINC000777694437 933018769 /nfs/dbraw/zinc/01/87/69/933018769.db2.gz CHLWIHOJWMKRRR-GBXCKJPGSA-N 2 1 397.563 3.637 20 0 GHADMP Cc1ccc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(OCC[NH+](C)C)c1 ZINC000777694437 933018776 /nfs/dbraw/zinc/01/87/76/933018776.db2.gz CHLWIHOJWMKRRR-GBXCKJPGSA-N 2 1 397.563 3.637 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)[C@H](C)C1 ZINC000560524557 933311179 /nfs/dbraw/zinc/31/11/79/933311179.db2.gz FYUDJRMQUCCEQY-KPFFTGBYSA-N 2 1 378.557 3.800 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116806532 933767651 /nfs/dbraw/zinc/76/76/51/933767651.db2.gz BLIWCBZLWKSFDM-UHFFFAOYSA-N 2 1 375.476 3.896 20 0 GHADMP Cc1c(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)ccc2c[nH+]cn21 ZINC001116815580 933773702 /nfs/dbraw/zinc/77/37/02/933773702.db2.gz SDBZDQCSUXKYHM-UHFFFAOYSA-N 2 1 384.483 3.754 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275070 934009216 /nfs/dbraw/zinc/00/92/16/934009216.db2.gz JZJJZNGGJDVVCO-ILBGXUMGSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275070 934009224 /nfs/dbraw/zinc/00/92/24/934009224.db2.gz JZJJZNGGJDVVCO-ILBGXUMGSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000561275070 934009229 /nfs/dbraw/zinc/00/92/29/934009229.db2.gz JZJJZNGGJDVVCO-ILBGXUMGSA-N 2 1 391.559 3.804 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2snnc2C)CC1 ZINC001119696000 934382908 /nfs/dbraw/zinc/38/29/08/934382908.db2.gz SFVFHWALWCTURO-ZIAGYGMSSA-N 2 1 377.533 3.539 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@]3(C)Br)CC2)cs1 ZINC001119949372 934424180 /nfs/dbraw/zinc/42/41/80/934424180.db2.gz XTKSGACHPGEOKY-YOEHRIQHSA-N 2 1 386.403 3.681 20 0 GHADMP CC[NH+](CC)CCOc1ccc(-c2noc(Cn3c[nH+]c4c3CCCC4)n2)cc1 ZINC000561877943 934531652 /nfs/dbraw/zinc/53/16/52/934531652.db2.gz UECILRBSFWTDHT-UHFFFAOYSA-N 2 1 395.507 3.581 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000561884906 934536858 /nfs/dbraw/zinc/53/68/58/934536858.db2.gz FGMQLOCKYSQJTM-OVNVTHAWSA-N 2 1 386.967 3.990 20 0 GHADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120562 934709699 /nfs/dbraw/zinc/70/96/99/934709699.db2.gz NKBKFXGQCMTEMH-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120574 934709771 /nfs/dbraw/zinc/70/97/71/934709771.db2.gz NKBKFXGQCMTEMH-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297010 935607941 /nfs/dbraw/zinc/60/79/41/935607941.db2.gz SDQSGPQXCFHHAR-COPCDDAFSA-N 2 1 385.552 3.640 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)nc1)CC2 ZINC001137738211 935760159 /nfs/dbraw/zinc/76/01/59/935760159.db2.gz PHXMGQCYXZXOMR-QGZVFWFLSA-N 2 1 375.513 3.538 20 0 GHADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001137746970 935766899 /nfs/dbraw/zinc/76/68/99/935766899.db2.gz CRGZXPLQFBAHOZ-UHFFFAOYSA-N 2 1 378.973 3.932 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CCC4(CC[N@H+](Cc5ccoc5)C4)CC3)cc2)c1 ZINC001137758158 935774229 /nfs/dbraw/zinc/77/42/29/935774229.db2.gz JPMWKPALQJQRPG-UHFFFAOYSA-N 2 1 376.504 3.953 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001220681195 1032060582 /nfs/dbraw/zinc/06/05/82/1032060582.db2.gz YQMYRGQKXMGVMB-WZYRSQIMSA-N 2 1 377.532 3.649 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001220681195 1032060597 /nfs/dbraw/zinc/06/05/97/1032060597.db2.gz YQMYRGQKXMGVMB-WZYRSQIMSA-N 2 1 377.532 3.649 20 0 GHADMP C[NH+](C)[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001840 1069329698 /nfs/dbraw/zinc/32/96/98/1069329698.db2.gz YVWZURMOYLRKHF-DNQXCXABSA-N 2 1 377.576 3.946 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000544847642 1015094744 /nfs/dbraw/zinc/09/47/44/1015094744.db2.gz PWMPEDRJGVXMFS-JTSKRJEESA-N 2 1 399.966 3.901 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000468294536 1015555662 /nfs/dbraw/zinc/55/56/62/1015555662.db2.gz JKASFBDXJCXPPE-XMMPIXPASA-N 2 1 391.559 3.953 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c2C)cc1 ZINC000468407025 1015675450 /nfs/dbraw/zinc/67/54/50/1015675450.db2.gz BPVIPEYIUBBKSZ-QFIPXVFZSA-N 2 1 396.579 3.721 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)c2C)cc1 ZINC000468407025 1015675455 /nfs/dbraw/zinc/67/54/55/1015675455.db2.gz BPVIPEYIUBBKSZ-QFIPXVFZSA-N 2 1 396.579 3.721 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)c2C)cc1 ZINC000468407025 1015675459 /nfs/dbraw/zinc/67/54/59/1015675459.db2.gz BPVIPEYIUBBKSZ-QFIPXVFZSA-N 2 1 396.579 3.721 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c2C)cc1 ZINC000468407025 1015675464 /nfs/dbraw/zinc/67/54/64/1015675464.db2.gz BPVIPEYIUBBKSZ-QFIPXVFZSA-N 2 1 396.579 3.721 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000468419300 1015689702 /nfs/dbraw/zinc/68/97/02/1015689702.db2.gz UHDIWOWBGPOBKQ-HXUWFJFHSA-N 2 1 388.600 3.934 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]21 ZINC000469869773 1016651483 /nfs/dbraw/zinc/65/14/83/1016651483.db2.gz GMPXWDYXAKPQSW-OUCADQQQSA-N 2 1 375.257 3.610 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@H]21 ZINC000469869773 1016651488 /nfs/dbraw/zinc/65/14/88/1016651488.db2.gz GMPXWDYXAKPQSW-OUCADQQQSA-N 2 1 375.257 3.610 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)Cc1ccccc1 ZINC001220861604 1032157258 /nfs/dbraw/zinc/15/72/58/1032157258.db2.gz ZJTPHWOAZUVANP-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC001220861604 1032157266 /nfs/dbraw/zinc/15/72/66/1032157266.db2.gz ZJTPHWOAZUVANP-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccccc1 ZINC001220861604 1032157275 /nfs/dbraw/zinc/15/72/75/1032157275.db2.gz ZJTPHWOAZUVANP-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC001220883227 1032173626 /nfs/dbraw/zinc/17/36/26/1032173626.db2.gz KLJFSWCXGYPOTK-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001220883227 1032173633 /nfs/dbraw/zinc/17/36/33/1032173633.db2.gz KLJFSWCXGYPOTK-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001220883227 1032173640 /nfs/dbraw/zinc/17/36/40/1032173640.db2.gz KLJFSWCXGYPOTK-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001221010804 1032234796 /nfs/dbraw/zinc/23/47/96/1032234796.db2.gz QRMUTSXQMJZDBG-ZLNRFVROSA-N 2 1 391.559 3.754 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001221443662 1032416863 /nfs/dbraw/zinc/41/68/63/1032416863.db2.gz GZMJUYXOSVJLJQ-FPOVZHCZSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001221443662 1032416867 /nfs/dbraw/zinc/41/68/67/1032416867.db2.gz GZMJUYXOSVJLJQ-FPOVZHCZSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001221443662 1032416876 /nfs/dbraw/zinc/41/68/76/1032416876.db2.gz GZMJUYXOSVJLJQ-FPOVZHCZSA-N 2 1 392.632 3.841 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2C[NH2+]CCC2(OCC)OCC)nc1 ZINC001155233705 1032465333 /nfs/dbraw/zinc/46/53/33/1032465333.db2.gz XRJXYHSFZBTBSF-WOJBJXKFSA-N 2 1 390.572 3.562 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001221581805 1032470306 /nfs/dbraw/zinc/47/03/06/1032470306.db2.gz ICBVGKCFKQSFCA-FQEVSTJZSA-N 2 1 388.600 3.982 20 0 GHADMP Cc1ccc(Cl)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c1Cl ZINC001277229664 1032508436 /nfs/dbraw/zinc/50/84/36/1032508436.db2.gz KBSZHBCRTDVBKG-HXUWFJFHSA-N 2 1 398.378 3.820 20 0 GHADMP CC(C)Oc1cc[nH+]c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155363854 1032520191 /nfs/dbraw/zinc/52/01/91/1032520191.db2.gz NONIKYUQMWWMAI-OAQYLSRUSA-N 3 1 394.563 3.783 20 0 GHADMP CC(C)Oc1ccnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155363854 1032520198 /nfs/dbraw/zinc/52/01/98/1032520198.db2.gz NONIKYUQMWWMAI-OAQYLSRUSA-N 2 1 394.563 3.783 20 0 GHADMP CC(C)Oc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155363854 1032520204 /nfs/dbraw/zinc/52/02/04/1032520204.db2.gz NONIKYUQMWWMAI-OAQYLSRUSA-N 2 1 394.563 3.783 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001227865081 1032654451 /nfs/dbraw/zinc/65/44/51/1032654451.db2.gz XWBFQHWEBMRGHC-HXUWFJFHSA-N 2 1 388.600 3.838 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310663 1017420281 /nfs/dbraw/zinc/42/02/81/1017420281.db2.gz BXJXMIIHVNLISQ-ISKFKSNPSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310663 1017420309 /nfs/dbraw/zinc/42/03/09/1017420309.db2.gz BXJXMIIHVNLISQ-ISKFKSNPSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310663 1017420317 /nfs/dbraw/zinc/42/03/17/1017420317.db2.gz BXJXMIIHVNLISQ-ISKFKSNPSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001204266188 1032708726 /nfs/dbraw/zinc/70/87/26/1032708726.db2.gz UJQXGSDRWQOLPE-NHCUHLMSSA-N 2 1 399.604 3.642 20 0 GHADMP O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560527221 1017653308 /nfs/dbraw/zinc/65/33/08/1017653308.db2.gz AUJBXJIBFTXROS-XPWALMASSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000929805028 1017743050 /nfs/dbraw/zinc/74/30/50/1017743050.db2.gz ABDIUVPAFBSIRP-HVHOJJEHSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000929805028 1017743060 /nfs/dbraw/zinc/74/30/60/1017743060.db2.gz ABDIUVPAFBSIRP-HVHOJJEHSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000929805028 1017743076 /nfs/dbraw/zinc/74/30/76/1017743076.db2.gz ABDIUVPAFBSIRP-HVHOJJEHSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000929805028 1017743091 /nfs/dbraw/zinc/74/30/91/1017743091.db2.gz ABDIUVPAFBSIRP-HVHOJJEHSA-N 2 1 396.575 3.846 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc5c4OCCCO5)C3)C2)cc1 ZINC000561968955 1017995178 /nfs/dbraw/zinc/99/51/78/1017995178.db2.gz GCKAPYYPUXKPJV-DEOSSOPVSA-N 2 1 378.516 3.946 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N3CCC34CC[NH+](C)CC4)sc2c1)C1CC1 ZINC000931908311 1018072816 /nfs/dbraw/zinc/07/28/16/1018072816.db2.gz KUHZZXBBVHKHOK-UHFFFAOYSA-N 2 1 399.564 3.593 20 0 GHADMP CCOC[C@@H]1CCCC[NH+]1Cc1cncc(C[N@@H+]2CCCC[C@H]2COCC)c1 ZINC000562685126 1018533242 /nfs/dbraw/zinc/53/32/42/1018533242.db2.gz XAUHRBLTCQPESS-GOTSBHOMSA-N 2 1 389.584 3.864 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc[nH]c1C1CCC1 ZINC000567082206 1019266383 /nfs/dbraw/zinc/26/63/83/1019266383.db2.gz ZURRPKUNAPGJDQ-UHFFFAOYSA-N 2 1 386.584 3.551 20 0 GHADMP COC(=O)c1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)oc1C ZINC000572525904 1019783013 /nfs/dbraw/zinc/78/30/13/1019783013.db2.gz PCZIYCJNKWZFIF-MRXNPFEDSA-N 2 1 376.522 3.698 20 0 GHADMP COC(=O)c1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)oc1C ZINC000572525903 1019783187 /nfs/dbraw/zinc/78/31/87/1019783187.db2.gz PCZIYCJNKWZFIF-INIZCTEOSA-N 2 1 376.522 3.698 20 0 GHADMP C[N@@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CCC[NH+](C)C1 ZINC001204431684 1032865813 /nfs/dbraw/zinc/86/58/13/1032865813.db2.gz QCPGKJMFOFJEFQ-INIZCTEOSA-N 2 1 393.597 3.815 20 0 GHADMP C[N@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CCC[NH+](C)C1 ZINC001204431684 1032865826 /nfs/dbraw/zinc/86/58/26/1032865826.db2.gz QCPGKJMFOFJEFQ-INIZCTEOSA-N 2 1 393.597 3.815 20 0 GHADMP C[NH+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CCC[N@H+](C)C1 ZINC001204431684 1032865841 /nfs/dbraw/zinc/86/58/41/1032865841.db2.gz QCPGKJMFOFJEFQ-INIZCTEOSA-N 2 1 393.597 3.815 20 0 GHADMP C[NH+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CCC[N@@H+](C)C1 ZINC001204431684 1032865853 /nfs/dbraw/zinc/86/58/53/1032865853.db2.gz QCPGKJMFOFJEFQ-INIZCTEOSA-N 2 1 393.597 3.815 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000600971818 1020288551 /nfs/dbraw/zinc/28/85/51/1020288551.db2.gz JWYAJHAZHNTTQB-ZWKOTPCHSA-N 2 1 385.474 3.689 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000578319561 1020343796 /nfs/dbraw/zinc/34/37/96/1020343796.db2.gz QIKMSSFRNGXDCY-JPYJTQIMSA-N 2 1 377.532 3.564 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC1 ZINC000779149280 1020419991 /nfs/dbraw/zinc/41/99/91/1020419991.db2.gz FEUHKINNAAMEQH-LEWJYISDSA-N 2 1 385.552 3.631 20 0 GHADMP OCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C2CC3CC(C2)CC1C3 ZINC000579593423 1020426552 /nfs/dbraw/zinc/42/65/52/1020426552.db2.gz IFEYTBWIPWAGNM-OYUHWPTPSA-N 2 1 380.576 3.960 20 0 GHADMP OCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C2CC3CC(C2)CC1C3 ZINC000579593423 1020426554 /nfs/dbraw/zinc/42/65/54/1020426554.db2.gz IFEYTBWIPWAGNM-OYUHWPTPSA-N 2 1 380.576 3.960 20 0 GHADMP Cc1ccc([C@H](C)C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000628232597 1020678647 /nfs/dbraw/zinc/67/86/47/1020678647.db2.gz FMXULKDTSBAVPR-HXUWFJFHSA-N 2 1 395.547 3.549 20 0 GHADMP CCSc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c(Br)c1 ZINC000629514325 1020754448 /nfs/dbraw/zinc/75/44/48/1020754448.db2.gz QMHNYHKHOZMTIT-UHFFFAOYSA-N 2 1 387.387 3.891 20 0 GHADMP Nc1ncc(-c2ccccc2C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001140324559 1021401354 /nfs/dbraw/zinc/40/13/54/1021401354.db2.gz WOKGHVKWCOGQDX-VWLOTQADSA-N 2 1 399.542 3.824 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001140324559 1021401364 /nfs/dbraw/zinc/40/13/64/1021401364.db2.gz WOKGHVKWCOGQDX-VWLOTQADSA-N 2 1 399.542 3.824 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001140324559 1021401371 /nfs/dbraw/zinc/40/13/71/1021401371.db2.gz WOKGHVKWCOGQDX-VWLOTQADSA-N 2 1 399.542 3.824 20 0 GHADMP C[N@@H+](Cc1ccc(N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)nc1)C1CC1 ZINC001156318106 1032982480 /nfs/dbraw/zinc/98/24/80/1032982480.db2.gz QJJBDEWZKKHDMK-ACIOBRDBSA-N 2 1 376.548 3.998 20 0 GHADMP C[NH+](Cc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1)C1CC1 ZINC001156318106 1032982481 /nfs/dbraw/zinc/98/24/81/1032982481.db2.gz QJJBDEWZKKHDMK-ACIOBRDBSA-N 2 1 376.548 3.998 20 0 GHADMP C[NH+](Cc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1)C1CC1 ZINC001156318106 1032982484 /nfs/dbraw/zinc/98/24/84/1032982484.db2.gz QJJBDEWZKKHDMK-ACIOBRDBSA-N 2 1 376.548 3.998 20 0 GHADMP c1cncc(C[N@@H+]2CCOCC3(CC[NH+](Cc4ccc5c(c4)CCC5)CC3)C2)c1 ZINC001203030523 1021530469 /nfs/dbraw/zinc/53/04/69/1021530469.db2.gz JPPYBXKEYBAYMQ-UHFFFAOYSA-N 2 1 391.559 3.685 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[NH+](C)CCc2ccccc2)CC1 ZINC001137309158 1021876330 /nfs/dbraw/zinc/87/63/30/1021876330.db2.gz BHUYUCSCWXKGKL-NRFANRHFSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001137309158 1021876347 /nfs/dbraw/zinc/87/63/47/1021876347.db2.gz BHUYUCSCWXKGKL-NRFANRHFSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001137309158 1021876363 /nfs/dbraw/zinc/87/63/63/1021876363.db2.gz BHUYUCSCWXKGKL-NRFANRHFSA-N 2 1 385.596 3.664 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cnc(SC)nc3NC)CC2)CC1 ZINC001140840669 1022674922 /nfs/dbraw/zinc/67/49/22/1022674922.db2.gz BMPOJUFIJARDHZ-UHFFFAOYSA-N 2 1 377.602 3.574 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138072206 1023993138 /nfs/dbraw/zinc/99/31/38/1023993138.db2.gz USAPMQRYZXVWKN-AEFFLSMTSA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138072206 1023993142 /nfs/dbraw/zinc/99/31/42/1023993142.db2.gz USAPMQRYZXVWKN-AEFFLSMTSA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138072206 1023993144 /nfs/dbraw/zinc/99/31/44/1023993144.db2.gz USAPMQRYZXVWKN-AEFFLSMTSA-N 2 1 386.337 3.895 20 0 GHADMP CCc1ccccc1CN1CCC([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001141229185 1024213647 /nfs/dbraw/zinc/21/36/47/1024213647.db2.gz MPQNHIOFCZCUFS-FQEVSTJZSA-N 2 1 387.568 3.812 20 0 GHADMP CCc1ccccc1CN1CCC([N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001141229185 1024213656 /nfs/dbraw/zinc/21/36/56/1024213656.db2.gz MPQNHIOFCZCUFS-FQEVSTJZSA-N 2 1 387.568 3.812 20 0 GHADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001141263709 1024329203 /nfs/dbraw/zinc/32/92/03/1024329203.db2.gz DYWIAKWENZUMFL-TUACAJSNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001141263709 1024329219 /nfs/dbraw/zinc/32/92/19/1024329219.db2.gz DYWIAKWENZUMFL-TUACAJSNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001141263709 1024329234 /nfs/dbraw/zinc/32/92/34/1024329234.db2.gz DYWIAKWENZUMFL-TUACAJSNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001141263709 1024329252 /nfs/dbraw/zinc/32/92/52/1024329252.db2.gz DYWIAKWENZUMFL-TUACAJSNSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)(C)Oc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001138280829 1024541689 /nfs/dbraw/zinc/54/16/89/1024541689.db2.gz QKJXZWGNDTYOCM-UXHICEINSA-N 2 1 380.536 3.608 20 0 GHADMP CC(C)(C)Oc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001138280829 1024541694 /nfs/dbraw/zinc/54/16/94/1024541694.db2.gz QKJXZWGNDTYOCM-UXHICEINSA-N 2 1 380.536 3.608 20 0 GHADMP CC(C)(C)Oc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001138280829 1024541704 /nfs/dbraw/zinc/54/17/04/1024541704.db2.gz QKJXZWGNDTYOCM-UXHICEINSA-N 2 1 380.536 3.608 20 0 GHADMP CC(C)(C)Oc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)n1 ZINC001138280829 1024541713 /nfs/dbraw/zinc/54/17/13/1024541713.db2.gz QKJXZWGNDTYOCM-UXHICEINSA-N 2 1 380.536 3.608 20 0 GHADMP COc1cccc(F)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001138382144 1024750675 /nfs/dbraw/zinc/75/06/75/1024750675.db2.gz FQZPGZYUGRAOCI-KRWDZBQOSA-N 2 1 388.483 3.683 20 0 GHADMP COc1cccc(F)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001138382476 1024751886 /nfs/dbraw/zinc/75/18/86/1024751886.db2.gz MYFOABCGKOYTQS-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP COc1ccc(-c2ccc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)cc2)cc1 ZINC001138516544 1024956539 /nfs/dbraw/zinc/95/65/39/1024956539.db2.gz AYFYPOLTBAVBQQ-UHFFFAOYSA-N 2 1 379.504 3.992 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 ZINC001138543964 1024986930 /nfs/dbraw/zinc/98/69/30/1024986930.db2.gz AGZLYXYRFZZHBL-PMACEKPBSA-N 2 1 382.508 3.764 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc1 ZINC001138543964 1024986935 /nfs/dbraw/zinc/98/69/35/1024986935.db2.gz AGZLYXYRFZZHBL-PMACEKPBSA-N 2 1 382.508 3.764 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(N(C)C(=O)c3ccccc3)CC2)cc1 ZINC001138551253 1025004675 /nfs/dbraw/zinc/00/46/75/1025004675.db2.gz ARWLBOBWFGUPEL-UHFFFAOYSA-N 2 1 388.515 3.917 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138743804 1025284613 /nfs/dbraw/zinc/28/46/13/1025284613.db2.gz IFANCEIXLJBAPE-LJQANCHMSA-N 2 1 396.560 3.880 20 0 GHADMP COc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001138772409 1025341285 /nfs/dbraw/zinc/34/12/85/1025341285.db2.gz KTLWEIJFNIGOEY-QFIPXVFZSA-N 2 1 386.561 3.926 20 0 GHADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772790 1025342718 /nfs/dbraw/zinc/34/27/18/1025342718.db2.gz BYBVPDBGGXCFFW-PKOBYXMFSA-N 2 1 391.556 3.505 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC001138772954 1025343199 /nfs/dbraw/zinc/34/31/99/1025343199.db2.gz LZXALNYGKJAYIT-IBGZPJMESA-N 2 1 391.556 3.506 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138773437 1025344581 /nfs/dbraw/zinc/34/45/81/1025344581.db2.gz DKWWWLVGXOYROW-IBGZPJMESA-N 2 1 385.527 3.645 20 0 GHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138773437 1025344591 /nfs/dbraw/zinc/34/45/91/1025344591.db2.gz DKWWWLVGXOYROW-IBGZPJMESA-N 2 1 385.527 3.645 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000838967906 1025485085 /nfs/dbraw/zinc/48/50/85/1025485085.db2.gz FLMOWFNIGCHTIH-WIYYLYMNSA-N 2 1 399.579 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000838967906 1025485095 /nfs/dbraw/zinc/48/50/95/1025485095.db2.gz FLMOWFNIGCHTIH-WIYYLYMNSA-N 2 1 399.579 3.886 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCc3c(C)cccc3C2)c1C ZINC001141564716 1025563565 /nfs/dbraw/zinc/56/35/65/1025563565.db2.gz JMLJAOPVMLPKIS-UHFFFAOYSA-N 2 1 396.579 3.570 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCc3c(C)cccc3C2)c1C ZINC001141564716 1025563577 /nfs/dbraw/zinc/56/35/77/1025563577.db2.gz JMLJAOPVMLPKIS-UHFFFAOYSA-N 2 1 396.579 3.570 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cc(Cl)ccc45)C[C@@H]3C2)cn1 ZINC001141582668 1025705021 /nfs/dbraw/zinc/70/50/21/1025705021.db2.gz ZPUJLPSOWOOPOF-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5cc(Cl)ccc45)C[C@@H]3C2)cn1 ZINC001141582668 1025705035 /nfs/dbraw/zinc/70/50/35/1025705035.db2.gz ZPUJLPSOWOOPOF-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5cc(Cl)ccc45)C[C@@H]3C2)cn1 ZINC001141582668 1025705048 /nfs/dbraw/zinc/70/50/48/1025705048.db2.gz ZPUJLPSOWOOPOF-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5cc(Cl)ccc45)C[C@@H]3C2)cn1 ZINC001141582668 1025705061 /nfs/dbraw/zinc/70/50/61/1025705061.db2.gz ZPUJLPSOWOOPOF-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP CCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(OCC)c1 ZINC001138978669 1025706103 /nfs/dbraw/zinc/70/61/03/1025706103.db2.gz JPHUWXKYWDYJDQ-IRLDBZIGSA-N 2 1 395.547 3.833 20 0 GHADMP CCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(OCC)c1 ZINC001138978669 1025706118 /nfs/dbraw/zinc/70/61/18/1025706118.db2.gz JPHUWXKYWDYJDQ-IRLDBZIGSA-N 2 1 395.547 3.833 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(OCC)c1 ZINC001138978669 1025706135 /nfs/dbraw/zinc/70/61/35/1025706135.db2.gz JPHUWXKYWDYJDQ-IRLDBZIGSA-N 2 1 395.547 3.833 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(OCC)c1 ZINC001138978669 1025706145 /nfs/dbraw/zinc/70/61/45/1025706145.db2.gz JPHUWXKYWDYJDQ-IRLDBZIGSA-N 2 1 395.547 3.833 20 0 GHADMP c1ccc(C[N@@H+]2CCc3c(ccnc3NCc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001162803542 1025923157 /nfs/dbraw/zinc/92/31/57/1025923157.db2.gz YMLXMTFCZCNQGR-UHFFFAOYSA-N 2 1 384.527 3.898 20 0 GHADMP Cc1cnc(Cl)cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162935266 1025972487 /nfs/dbraw/zinc/97/24/87/1025972487.db2.gz QGUPRBOOWZVUPT-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP CC(C)Oc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccn1 ZINC001162935598 1025973455 /nfs/dbraw/zinc/97/34/55/1025973455.db2.gz TVHXYDQAAIFDBW-NRFANRHFSA-N 2 1 394.563 3.783 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4c(c3)CCO4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162935607 1025973588 /nfs/dbraw/zinc/97/35/88/1025973588.db2.gz UDHJSCFBFRIQJD-OAQYLSRUSA-N 2 1 377.532 3.535 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cc[nH+]c(C4CC4)c3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941046 1025977396 /nfs/dbraw/zinc/97/73/96/1025977396.db2.gz PWWKBVNVLLGOTC-NRFANRHFSA-N 3 1 376.548 3.873 20 0 GHADMP COc1cccc(C)c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941697 1025978974 /nfs/dbraw/zinc/97/89/74/1025978974.db2.gz ZOZAIKFQLXTSKR-OAQYLSRUSA-N 2 1 379.548 3.917 20 0 GHADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1N ZINC001139277236 1026123280 /nfs/dbraw/zinc/12/32/80/1026123280.db2.gz PMKWXAIGYUAJDS-UXHICEINSA-N 2 1 395.547 3.630 20 0 GHADMP Oc1ccc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)ccc2c1 ZINC001139335143 1026196542 /nfs/dbraw/zinc/19/65/42/1026196542.db2.gz JCHKYRHADZHTIT-UHFFFAOYSA-N 2 1 390.531 3.786 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)s3)CC[C@@H]21 ZINC001139412734 1026284956 /nfs/dbraw/zinc/28/49/56/1026284956.db2.gz LZYRQOBUSAOYCZ-DYXWJJEUSA-N 2 1 393.560 3.601 20 0 GHADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)s3)CC[C@@H]21 ZINC001139412734 1026284961 /nfs/dbraw/zinc/28/49/61/1026284961.db2.gz LZYRQOBUSAOYCZ-DYXWJJEUSA-N 2 1 393.560 3.601 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)s3)CC[C@@H]21 ZINC001139412734 1026284967 /nfs/dbraw/zinc/28/49/67/1026284967.db2.gz LZYRQOBUSAOYCZ-DYXWJJEUSA-N 2 1 393.560 3.601 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)CC[C@@H]21 ZINC001139412734 1026284974 /nfs/dbraw/zinc/28/49/74/1026284974.db2.gz LZYRQOBUSAOYCZ-DYXWJJEUSA-N 2 1 393.560 3.601 20 0 GHADMP CC[N@@H+]1CCCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001163776142 1026314140 /nfs/dbraw/zinc/31/41/40/1026314140.db2.gz IAOHASXYNVTHJU-UHFFFAOYSA-N 2 1 399.608 3.698 20 0 GHADMP CC[N@H+]1CCCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC001163776142 1026314156 /nfs/dbraw/zinc/31/41/56/1026314156.db2.gz IAOHASXYNVTHJU-UHFFFAOYSA-N 2 1 399.608 3.698 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 ZINC001461092918 1069384580 /nfs/dbraw/zinc/38/45/80/1069384580.db2.gz VOXQSUHYQMWHOO-XUZZJYLKSA-N 2 1 386.628 3.819 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCC[C@@]4(CCO4)C3)CC2)cc1 ZINC001139513197 1026367273 /nfs/dbraw/zinc/36/72/73/1026367273.db2.gz OLDVHRKUTNHUOA-RUZDIDTESA-N 2 1 391.559 3.764 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@@]1(C)O ZINC001139514245 1026369520 /nfs/dbraw/zinc/36/95/20/1026369520.db2.gz KCYYQSCYJVULLR-SQJMNOBHSA-N 2 1 393.575 3.602 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1O ZINC001139515830 1026373284 /nfs/dbraw/zinc/37/32/84/1026373284.db2.gz ZWYAASIHZUPCEI-SQJMNOBHSA-N 2 1 393.575 3.602 20 0 GHADMP C[C@@H]1CC[C@H](C[NH3+])N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164075583 1026403743 /nfs/dbraw/zinc/40/37/43/1026403743.db2.gz XJLVTKCSBQIOLN-HZPDHXFCSA-N 2 1 399.608 3.730 20 0 GHADMP C[C@]1(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001139617160 1026481363 /nfs/dbraw/zinc/48/13/63/1026481363.db2.gz KQOUUTJYFINAFU-XMMPIXPASA-N 2 1 390.531 3.933 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc(Cl)c1F)CC2 ZINC001139661096 1026519524 /nfs/dbraw/zinc/51/95/24/1026519524.db2.gz FHQQWPVVEXLTFB-INIZCTEOSA-N 2 1 393.890 3.723 20 0 GHADMP CC(C)N(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001461117341 1069398932 /nfs/dbraw/zinc/39/89/32/1069398932.db2.gz VFHUZCOUZMBQPI-OFNKIYASSA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)N(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461117341 1069398940 /nfs/dbraw/zinc/39/89/40/1069398940.db2.gz VFHUZCOUZMBQPI-OFNKIYASSA-N 2 1 389.559 3.710 20 0 GHADMP CC(C)N(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001461117341 1069398949 /nfs/dbraw/zinc/39/89/49/1069398949.db2.gz VFHUZCOUZMBQPI-OFNKIYASSA-N 2 1 389.559 3.710 20 0 GHADMP FC(F)c1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139801065 1026625092 /nfs/dbraw/zinc/62/50/92/1026625092.db2.gz JLQZATNZPBOTGT-TZIWHRDSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139801065 1026625097 /nfs/dbraw/zinc/62/50/97/1026625097.db2.gz JLQZATNZPBOTGT-TZIWHRDSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139801065 1026625102 /nfs/dbraw/zinc/62/51/02/1026625102.db2.gz JLQZATNZPBOTGT-TZIWHRDSSA-N 2 1 387.474 3.742 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc(F)c1)CC2 ZINC001139832079 1026653504 /nfs/dbraw/zinc/65/35/04/1026653504.db2.gz OFYVNYSYEVGFFS-KRWDZBQOSA-N 2 1 375.513 3.538 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1CN1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001139885355 1026701091 /nfs/dbraw/zinc/70/10/91/1026701091.db2.gz JSXYOCSWHTVUDN-HDICACEKSA-N 2 1 375.438 3.973 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001139885355 1026701101 /nfs/dbraw/zinc/70/11/01/1026701101.db2.gz JSXYOCSWHTVUDN-HDICACEKSA-N 2 1 375.438 3.973 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001139885355 1026701105 /nfs/dbraw/zinc/70/11/05/1026701105.db2.gz JSXYOCSWHTVUDN-HDICACEKSA-N 2 1 375.438 3.973 20 0 GHADMP CCCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1OC ZINC001461143558 1069411575 /nfs/dbraw/zinc/41/15/75/1069411575.db2.gz YCILAHHPOHZVJL-UHFFFAOYSA-N 2 1 397.563 3.521 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1cc(O)ccc1F)CC2 ZINC001140046536 1026828278 /nfs/dbraw/zinc/82/82/78/1026828278.db2.gz GZDRXTQLMMXRGH-KRWDZBQOSA-N 2 1 390.524 3.848 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(O)ccc1F)CC2 ZINC001140046536 1026828297 /nfs/dbraw/zinc/82/82/97/1026828297.db2.gz GZDRXTQLMMXRGH-KRWDZBQOSA-N 2 1 390.524 3.848 20 0 GHADMP CCc1nc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)[nH]1 ZINC001203237441 1027243079 /nfs/dbraw/zinc/24/30/79/1027243079.db2.gz BZPONOGSBYDIKE-QGZVFWFLSA-N 2 1 388.581 3.598 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)o1 ZINC001203292035 1027264296 /nfs/dbraw/zinc/26/42/96/1027264296.db2.gz IURQYOSEUUZIQV-UPVQGACJSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)o1 ZINC001203292035 1027264311 /nfs/dbraw/zinc/26/43/11/1027264311.db2.gz IURQYOSEUUZIQV-UPVQGACJSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)o1 ZINC001203292035 1027264326 /nfs/dbraw/zinc/26/43/26/1027264326.db2.gz IURQYOSEUUZIQV-UPVQGACJSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)o1 ZINC001203292035 1027264338 /nfs/dbraw/zinc/26/43/38/1027264338.db2.gz IURQYOSEUUZIQV-UPVQGACJSA-N 2 1 395.547 3.734 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1OC ZINC001203447523 1027345380 /nfs/dbraw/zinc/34/53/80/1027345380.db2.gz XIRXKSZSMBBHDA-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(OC)c1 ZINC001203479243 1027370591 /nfs/dbraw/zinc/37/05/91/1027370591.db2.gz VEZDDOTXANVEIK-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP C[N@@H+]1Cc2c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)cccc2[C@@H](c2ccccc2)C1 ZINC001210267737 1027415654 /nfs/dbraw/zinc/41/56/54/1027415654.db2.gz MKJRAIZDZBEKLH-JOCHJYFZSA-N 3 1 399.542 3.812 20 0 GHADMP C[N@H+]1Cc2c(Nc3ccnc(N4CC[NH2+]CC4)c3)cccc2[C@@H](c2ccccc2)C1 ZINC001210267737 1027415662 /nfs/dbraw/zinc/41/56/62/1027415662.db2.gz MKJRAIZDZBEKLH-JOCHJYFZSA-N 2 1 399.542 3.812 20 0 GHADMP C[N@@H+]1Cc2c(Nc3ccnc(N4CC[NH2+]CC4)c3)cccc2[C@@H](c2ccccc2)C1 ZINC001210267737 1027415668 /nfs/dbraw/zinc/41/56/68/1027415668.db2.gz MKJRAIZDZBEKLH-JOCHJYFZSA-N 2 1 399.542 3.812 20 0 GHADMP CCOc1ccccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001203542183 1027418057 /nfs/dbraw/zinc/41/80/57/1027418057.db2.gz IWFBIMROLLHZBI-UHFFFAOYSA-N 2 1 395.547 3.595 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1F ZINC001203794628 1027607987 /nfs/dbraw/zinc/60/79/87/1027607987.db2.gz KMSNCHKRZNHYMY-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC001141925561 1027675611 /nfs/dbraw/zinc/67/56/11/1027675611.db2.gz WHTPPBVPWWGGDQ-OALUTQOASA-N 2 1 377.891 3.501 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC001203919856 1027709364 /nfs/dbraw/zinc/70/93/64/1027709364.db2.gz NNQKXWFFGIXXCN-OAQYLSRUSA-N 2 1 385.939 3.991 20 0 GHADMP c1csc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2ccccn2)c1 ZINC001204012576 1027806826 /nfs/dbraw/zinc/80/68/26/1027806826.db2.gz FIDQPXKKLZIFNI-REWPJTCUSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)c1 ZINC001204012576 1027806846 /nfs/dbraw/zinc/80/68/46/1027806846.db2.gz FIDQPXKKLZIFNI-REWPJTCUSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)c1 ZINC001204012576 1027806870 /nfs/dbraw/zinc/80/68/70/1027806870.db2.gz FIDQPXKKLZIFNI-REWPJTCUSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)c1 ZINC001204012576 1027806893 /nfs/dbraw/zinc/80/68/93/1027806893.db2.gz FIDQPXKKLZIFNI-REWPJTCUSA-N 2 1 397.588 3.894 20 0 GHADMP Cc1ccsc1C[NH+]1CCC2(CN(C(=O)C[NH+](C)C)c3ccc(C)cc32)CC1 ZINC001204019451 1027810378 /nfs/dbraw/zinc/81/03/78/1027810378.db2.gz FDNFAPJXPLUXLI-UHFFFAOYSA-N 2 1 397.588 3.807 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]CC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001204057365 1027844603 /nfs/dbraw/zinc/84/46/03/1027844603.db2.gz AHGAOAMCCVNZQS-QGZVFWFLSA-N 2 1 376.545 3.665 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)c(OC)c2)CC3)c1 ZINC001204114037 1027885278 /nfs/dbraw/zinc/88/52/78/1027885278.db2.gz BIJULIFKTRGGGU-UHFFFAOYSA-N 2 1 396.531 3.898 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc(OC)c1O ZINC001204126685 1027899774 /nfs/dbraw/zinc/89/97/74/1027899774.db2.gz LMHJCGDUVBPTAA-SFTDATJTSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc(OC)c1O ZINC001204126685 1027899781 /nfs/dbraw/zinc/89/97/81/1027899781.db2.gz LMHJCGDUVBPTAA-SFTDATJTSA-N 2 1 396.531 3.753 20 0 GHADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000841102467 1028137207 /nfs/dbraw/zinc/13/72/07/1028137207.db2.gz LGHHEDHJOGZHFX-CPLUKWAASA-N 2 1 391.531 3.506 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(Cl)n1 ZINC001142131489 1028215224 /nfs/dbraw/zinc/21/52/24/1028215224.db2.gz OSKZANPJEYQZRZ-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC001214153570 1028570627 /nfs/dbraw/zinc/57/06/27/1028570627.db2.gz WHMPCXFVKXZGCC-INIZCTEOSA-N 2 1 382.508 3.980 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc2oc3ccccc3c2c1 ZINC001214153570 1028570633 /nfs/dbraw/zinc/57/06/33/1028570633.db2.gz WHMPCXFVKXZGCC-INIZCTEOSA-N 2 1 382.508 3.980 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4nn(C)cc43)C[C@H]21 ZINC001142455854 1028956392 /nfs/dbraw/zinc/95/63/92/1028956392.db2.gz ABWPTQVKZSHAQW-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001142455854 1028956401 /nfs/dbraw/zinc/95/64/01/1028956401.db2.gz ABWPTQVKZSHAQW-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001142455854 1028956411 /nfs/dbraw/zinc/95/64/11/1028956411.db2.gz ABWPTQVKZSHAQW-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001142455854 1028956414 /nfs/dbraw/zinc/95/64/14/1028956414.db2.gz ABWPTQVKZSHAQW-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001142455854 1028956415 /nfs/dbraw/zinc/95/64/15/1028956415.db2.gz ABWPTQVKZSHAQW-BPUDTRNYSA-N 2 1 389.547 3.701 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001142556396 1029055406 /nfs/dbraw/zinc/05/54/06/1029055406.db2.gz KQYGONPZZPOKPM-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001142556396 1029055425 /nfs/dbraw/zinc/05/54/25/1029055425.db2.gz KQYGONPZZPOKPM-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001142556396 1029055441 /nfs/dbraw/zinc/05/54/41/1029055441.db2.gz KQYGONPZZPOKPM-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP c1cc2c(nccc2C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)[nH]1 ZINC001142874537 1029621698 /nfs/dbraw/zinc/62/16/98/1029621698.db2.gz XPMPSRYVNVSKFD-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2c(nccc2C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)[nH]1 ZINC001142874537 1029621706 /nfs/dbraw/zinc/62/17/06/1029621706.db2.gz XPMPSRYVNVSKFD-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2c(nccc2C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)[nH]1 ZINC001142874537 1029621719 /nfs/dbraw/zinc/62/17/19/1029621719.db2.gz XPMPSRYVNVSKFD-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n(-c2ccccn2)n1 ZINC001461551772 1069605652 /nfs/dbraw/zinc/60/56/52/1069605652.db2.gz RASXATQPBFIXTF-NRFANRHFSA-N 2 1 375.520 3.659 20 0 GHADMP c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n(-c2ccccn2)n1 ZINC001461551772 1069605660 /nfs/dbraw/zinc/60/56/60/1069605660.db2.gz RASXATQPBFIXTF-NRFANRHFSA-N 2 1 375.520 3.659 20 0 GHADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363825 1029942475 /nfs/dbraw/zinc/94/24/75/1029942475.db2.gz CJPKTJKIAQGRSR-KBPBESRZSA-N 2 1 386.565 3.658 20 0 GHADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363825 1029942476 /nfs/dbraw/zinc/94/24/76/1029942476.db2.gz CJPKTJKIAQGRSR-KBPBESRZSA-N 2 1 386.565 3.658 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843385654 1029953538 /nfs/dbraw/zinc/95/35/38/1029953538.db2.gz BIJSFWHRDXVDFK-NJYVYQBISA-N 2 1 398.595 3.716 20 0 GHADMP CCOc1cc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)ccc1OCc1ccccc1 ZINC001222181513 1029990052 /nfs/dbraw/zinc/99/00/52/1029990052.db2.gz LHKDYPUHBKXHEX-UHFFFAOYSA-N 2 1 396.531 3.619 20 0 GHADMP CCOc1cc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)ccc1OCc1ccccc1 ZINC001222181513 1029990057 /nfs/dbraw/zinc/99/00/57/1029990057.db2.gz LHKDYPUHBKXHEX-UHFFFAOYSA-N 2 1 396.531 3.619 20 0 GHADMP c1[nH]c2cccc(OCc3ccccc3)c2c1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181369 1029990391 /nfs/dbraw/zinc/99/03/91/1029990391.db2.gz DOMARAYYSLTRMM-UHFFFAOYSA-N 2 1 391.515 3.701 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccc3nonc32)CC1 ZINC001203136844 1030002072 /nfs/dbraw/zinc/00/20/72/1030002072.db2.gz XJYFMNNMDGAHKQ-UHFFFAOYSA-N 2 1 379.851 3.747 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1CCc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001222215284 1030011052 /nfs/dbraw/zinc/01/10/52/1030011052.db2.gz BHQJEUOHJIDLDW-QGZVFWFLSA-N 2 1 385.335 3.543 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CCc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001222215284 1030011071 /nfs/dbraw/zinc/01/10/71/1030011071.db2.gz BHQJEUOHJIDLDW-QGZVFWFLSA-N 2 1 385.335 3.543 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(-c3ccccc3)cc1)CC[NH2+]CC2 ZINC001222222067 1030015544 /nfs/dbraw/zinc/01/55/44/1030015544.db2.gz WUXHSQDOGABDCK-JOCHJYFZSA-N 2 1 378.516 3.861 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccccc1-c1cccs1)CC[NH2+]CC2 ZINC001222221925 1030015734 /nfs/dbraw/zinc/01/57/34/1030015734.db2.gz SZLJMXSWDCFOPI-IBGZPJMESA-N 2 1 384.545 3.922 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3ccc(F)cc3)cc1)CC[NH2+]CC2 ZINC001222221552 1030016460 /nfs/dbraw/zinc/01/64/60/1030016460.db2.gz NXMDZYFLJRRQRX-QFIPXVFZSA-N 2 1 396.506 4.000 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cnc(-c3ccccc3)c(C)c1)CC[NH2+]CC2 ZINC001222232944 1030026622 /nfs/dbraw/zinc/02/66/22/1030026622.db2.gz ZRSUMJHSHCTAHC-NRFANRHFSA-N 2 1 393.531 3.564 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cnc(-c3ccccc3)c(C)c1)CC[NH2+]CC2 ZINC001222232944 1030026633 /nfs/dbraw/zinc/02/66/33/1030026633.db2.gz ZRSUMJHSHCTAHC-NRFANRHFSA-N 2 1 393.531 3.564 20 0 GHADMP Cc1c(I)cccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321478 1030070850 /nfs/dbraw/zinc/07/08/50/1030070850.db2.gz XDSLRHKVEXJTGJ-QGZVFWFLSA-N 2 1 384.305 3.708 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321478 1030070865 /nfs/dbraw/zinc/07/08/65/1030070865.db2.gz XDSLRHKVEXJTGJ-QGZVFWFLSA-N 2 1 384.305 3.708 20 0 GHADMP Fc1ccc(COc2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222400703 1030108097 /nfs/dbraw/zinc/10/80/97/1030108097.db2.gz DWURSAOOAMSORF-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222408032 1030113211 /nfs/dbraw/zinc/11/32/11/1030113211.db2.gz VKJBSULGHVNQEA-UHFFFAOYSA-N 2 1 384.495 3.703 20 0 GHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3cccc([C@@H](C)[NH3+])c3)n2)c1 ZINC001217098514 1030161047 /nfs/dbraw/zinc/16/10/47/1030161047.db2.gz LHUGQEZCBFRHPI-CQSZACIVSA-N 2 1 387.443 3.811 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502769 1030171388 /nfs/dbraw/zinc/17/13/88/1030171388.db2.gz SAHBBSFQYPXWPN-SFTDATJTSA-N 2 1 389.465 3.898 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502769 1030171394 /nfs/dbraw/zinc/17/13/94/1030171394.db2.gz SAHBBSFQYPXWPN-SFTDATJTSA-N 2 1 389.465 3.898 20 0 GHADMP FC(F)(F)c1cnc2[nH]cc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2c1 ZINC001222601944 1030226328 /nfs/dbraw/zinc/22/63/28/1030226328.db2.gz DUHWLCOMYBESBD-SFHVURJKSA-N 2 1 386.421 3.771 20 0 GHADMP Cc1cc(Br)c(OC(C)C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222635209 1030251194 /nfs/dbraw/zinc/25/11/94/1030251194.db2.gz RTOSXVLUPLRJJI-IYBDPMFKSA-N 2 1 381.358 3.976 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001222651907 1030261430 /nfs/dbraw/zinc/26/14/30/1030261430.db2.gz UCISZYSWAHCBFU-GOSISDBHSA-N 2 1 378.442 3.687 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001149670136 1030263715 /nfs/dbraw/zinc/26/37/15/1030263715.db2.gz BFRPUTKCQHDTQH-PLQXJYEYSA-N 2 1 391.559 3.732 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c1 ZINC001149670136 1030263730 /nfs/dbraw/zinc/26/37/30/1030263730.db2.gz BFRPUTKCQHDTQH-PLQXJYEYSA-N 2 1 391.559 3.732 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c1 ZINC001149670136 1030263747 /nfs/dbraw/zinc/26/37/47/1030263747.db2.gz BFRPUTKCQHDTQH-PLQXJYEYSA-N 2 1 391.559 3.732 20 0 GHADMP Fc1cc(-c2noc(-c3ccc4c[nH+]cn4c3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001217346120 1030325044 /nfs/dbraw/zinc/32/50/44/1030325044.db2.gz ZHOAXPJMSSHWOL-LJQANCHMSA-N 2 1 386.390 3.923 20 0 GHADMP Cc1ccc(-c2ccc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c2)o1 ZINC001217371644 1030344903 /nfs/dbraw/zinc/34/49/03/1030344903.db2.gz LNJBBJXXZWYKDC-KRWDZBQOSA-N 2 1 386.540 3.957 20 0 GHADMP Cc1ccc(-c2ccc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c2)o1 ZINC001217371644 1030344916 /nfs/dbraw/zinc/34/49/16/1030344916.db2.gz LNJBBJXXZWYKDC-KRWDZBQOSA-N 2 1 386.540 3.957 20 0 GHADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC001223108265 1030447527 /nfs/dbraw/zinc/44/75/27/1030447527.db2.gz VLSDSKQWVOCKDG-QFIPXVFZSA-N 2 1 394.563 3.651 20 0 GHADMP [NH3+][C@@H](Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1cccc(Cl)c1 ZINC001217718169 1030628175 /nfs/dbraw/zinc/62/81/75/1030628175.db2.gz VNOLFFUJROJIMT-UYAOXDASSA-N 2 1 396.922 3.825 20 0 GHADMP [NH3+][C@@H](Cc1ccnc2ccccc12)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217753335 1030642658 /nfs/dbraw/zinc/64/26/58/1030642658.db2.gz YUASPDREFYKBIH-CTNGQTDRSA-N 2 1 399.498 3.850 20 0 GHADMP [NH3+][C@@H](Cc1ccnc2ccccc12)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217753335 1030642666 /nfs/dbraw/zinc/64/26/66/1030642666.db2.gz YUASPDREFYKBIH-CTNGQTDRSA-N 2 1 399.498 3.850 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](Cc3sc(Cl)c4ccccc43)C2)C1=O ZINC001276937484 1030845188 /nfs/dbraw/zinc/84/51/88/1030845188.db2.gz CXNOUTVWOTZYNP-FQEVSTJZSA-N 2 1 391.968 3.541 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2cccc(CN4CC[NH2+]CC4)c2)C3)cc1 ZINC001218343223 1030903552 /nfs/dbraw/zinc/90/35/52/1030903552.db2.gz DDCRHQDYSPMJFP-FVRPBGSPSA-N 2 1 391.559 3.666 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2ccc(CN4CC[NH2+]CC4)cc2)C3)cc1 ZINC001218343888 1030904209 /nfs/dbraw/zinc/90/42/09/1030904209.db2.gz MCOYPCAYYNTNOO-FVRPBGSPSA-N 2 1 391.559 3.666 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)c1ccccc1 ZINC001218533575 1030975930 /nfs/dbraw/zinc/97/59/30/1030975930.db2.gz PTFSKSXTJANAAI-VQIMIIECSA-N 2 1 386.565 3.761 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)C1 ZINC001218996942 1031202426 /nfs/dbraw/zinc/20/24/26/1031202426.db2.gz QJFPAGKVVTXDQT-IFMALSPDSA-N 2 1 377.532 3.923 20 0 GHADMP C[C@H]1C[NH2+]C[C@@H](CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001219645778 1031537660 /nfs/dbraw/zinc/53/76/60/1031537660.db2.gz MZZUUTDJBQNTET-ZBFHGGJFSA-N 2 1 398.378 3.567 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC001153808488 1031754408 /nfs/dbraw/zinc/75/44/08/1031754408.db2.gz OSLZSALUTVXFBN-QHCPKHFHSA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)[NH+]1CCC[C@H](NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC001153808488 1031754423 /nfs/dbraw/zinc/75/44/23/1031754423.db2.gz OSLZSALUTVXFBN-QHCPKHFHSA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)[NH+]1CCC[C@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC001153808488 1031754434 /nfs/dbraw/zinc/75/44/34/1031754434.db2.gz OSLZSALUTVXFBN-QHCPKHFHSA-N 2 1 379.548 3.921 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001220524798 1031976508 /nfs/dbraw/zinc/97/65/08/1031976508.db2.gz QNJCBHHHEOFJML-HSALFYBXSA-N 2 1 388.600 3.694 20 0 GHADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001220524798 1031976510 /nfs/dbraw/zinc/97/65/10/1031976510.db2.gz QNJCBHHHEOFJML-HSALFYBXSA-N 2 1 388.600 3.694 20 0 GHADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001220524798 1031976521 /nfs/dbraw/zinc/97/65/21/1031976521.db2.gz QNJCBHHHEOFJML-HSALFYBXSA-N 2 1 388.600 3.694 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC001220636055 1032036197 /nfs/dbraw/zinc/03/61/97/1032036197.db2.gz CXDGOEIRTSKTAH-JOCHJYFZSA-N 2 1 392.632 3.937 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3[nH]ccc31)CC2 ZINC001205263477 1033331671 /nfs/dbraw/zinc/33/16/71/1033331671.db2.gz OBFJJDHHNFKXLM-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(I)c2)CC[C@H]1C[NH3+] ZINC001205639511 1033506915 /nfs/dbraw/zinc/50/69/15/1033506915.db2.gz ZQRFZCFDCOMZFE-AAEUAGOBSA-N 2 1 392.712 3.751 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nc(-c2cccs2)oc1C ZINC001205677392 1033526028 /nfs/dbraw/zinc/52/60/28/1033526028.db2.gz BNRFXBLSVHFITE-QGZVFWFLSA-N 2 1 376.570 3.559 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC2(C)CC[NH2+]CC2)n1 ZINC001157405792 1033570510 /nfs/dbraw/zinc/57/05/10/1033570510.db2.gz NHGKVIWMFZNBJK-UHFFFAOYSA-N 2 1 381.549 3.974 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC001205912678 1033633125 /nfs/dbraw/zinc/63/31/25/1033633125.db2.gz BIXKBFVDKKNELO-YLJYHZDGSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC001205912678 1033633133 /nfs/dbraw/zinc/63/31/33/1033633133.db2.gz BIXKBFVDKKNELO-YLJYHZDGSA-N 2 1 384.520 3.842 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2OC(F)F)CCC[C@@H]1C[NH3+] ZINC001206025899 1033693557 /nfs/dbraw/zinc/69/35/57/1033693557.db2.gz PTFLKLSRKXFQKK-VXGBXAGGSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@@H]1[C@@H]([NH3+])CCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001157744911 1033750854 /nfs/dbraw/zinc/75/08/54/1033750854.db2.gz HPWXGCCDENCTMN-PBHICJAKSA-N 2 1 381.549 3.736 20 0 GHADMP Cc1cc(N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)c2ccccc2[nH+]1 ZINC001206286812 1033784427 /nfs/dbraw/zinc/78/44/27/1033784427.db2.gz VJNVHXXBKGIISA-UHFFFAOYSA-N 2 1 378.545 3.573 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)ccc1Br ZINC001206606813 1033922948 /nfs/dbraw/zinc/92/29/48/1033922948.db2.gz SXTXUJUMMKKMDJ-OAHLLOKOSA-N 2 1 383.330 3.588 20 0 GHADMP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001206616934 1033925828 /nfs/dbraw/zinc/92/58/28/1033925828.db2.gz UQOHMPGRUQSUEK-LJQANCHMSA-N 2 1 384.520 3.844 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001206616934 1033925834 /nfs/dbraw/zinc/92/58/34/1033925834.db2.gz UQOHMPGRUQSUEK-LJQANCHMSA-N 2 1 384.520 3.844 20 0 GHADMP COc1cccc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206727583 1033958973 /nfs/dbraw/zinc/95/89/73/1033958973.db2.gz IABUTGGITZQOLU-HSZRJFAPSA-N 2 1 380.532 3.907 20 0 GHADMP COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206727583 1033958978 /nfs/dbraw/zinc/95/89/78/1033958978.db2.gz IABUTGGITZQOLU-HSZRJFAPSA-N 2 1 380.532 3.907 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001206800815 1033988550 /nfs/dbraw/zinc/98/85/50/1033988550.db2.gz OBMLYMKCADWWMO-ZACQAIPSSA-N 2 1 389.531 3.683 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cc(C)nc(C)n2)C2CC[NH2+]CC2)nc1 ZINC001158395663 1034059418 /nfs/dbraw/zinc/05/94/18/1034059418.db2.gz CMWCPTXRFHXUFD-OAQYLSRUSA-N 2 1 394.567 3.925 20 0 GHADMP COCCN1CCOC[C@]2(CCC[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182503 1034151045 /nfs/dbraw/zinc/15/10/45/1034151045.db2.gz LBNOQSOIMOBFHE-KSEOMHKRSA-N 2 1 392.971 3.504 20 0 GHADMP CC1=CC[C@H](CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)C1(C)C ZINC001207272473 1034228082 /nfs/dbraw/zinc/22/80/82/1034228082.db2.gz OPRXIWMCSGEMQJ-LUKWVAJMSA-N 2 1 397.611 3.835 20 0 GHADMP CC1=CC[C@H](CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)C1(C)C ZINC001207272473 1034228100 /nfs/dbraw/zinc/22/81/00/1034228100.db2.gz OPRXIWMCSGEMQJ-LUKWVAJMSA-N 2 1 397.611 3.835 20 0 GHADMP CC1=CC[C@H](CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)C1(C)C ZINC001207272473 1034228116 /nfs/dbraw/zinc/22/81/16/1034228116.db2.gz OPRXIWMCSGEMQJ-LUKWVAJMSA-N 2 1 397.611 3.835 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3ccc(-c4cc[nH]n4)o3)cc2)C[C@H](C)O1 ZINC001207283196 1034235583 /nfs/dbraw/zinc/23/55/83/1034235583.db2.gz NKKJSSOINAEMLK-HDICACEKSA-N 2 1 394.519 3.911 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3ccc(-c4cc[nH]n4)o3)cc2)C[C@H](C)O1 ZINC001207283196 1034235599 /nfs/dbraw/zinc/23/55/99/1034235599.db2.gz NKKJSSOINAEMLK-HDICACEKSA-N 2 1 394.519 3.911 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3ccc(-c4cc[nH]n4)o3)cc2)C[C@H](C)O1 ZINC001207283196 1034235619 /nfs/dbraw/zinc/23/56/19/1034235619.db2.gz NKKJSSOINAEMLK-HDICACEKSA-N 2 1 394.519 3.911 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293442 1034246325 /nfs/dbraw/zinc/24/63/25/1034246325.db2.gz JDMNQMUCWWHZJG-QFIPXVFZSA-N 2 1 395.547 3.846 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C=C/c3c(C)cc(C)cc3C)CC2)CC1 ZINC001461892959 1069847804 /nfs/dbraw/zinc/84/78/04/1069847804.db2.gz AVEQJGDCGRSMNY-VOTSOKGWSA-N 2 1 397.607 3.891 20 0 GHADMP Clc1ncnc(Cl)c1CC[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001207331906 1034280233 /nfs/dbraw/zinc/28/02/33/1034280233.db2.gz ZAPZJACLMZQILF-UHFFFAOYSA-N 2 1 391.346 3.924 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207379243 1034323582 /nfs/dbraw/zinc/32/35/82/1034323582.db2.gz SSMXPKQIGHZZLK-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207379243 1034323601 /nfs/dbraw/zinc/32/36/01/1034323601.db2.gz SSMXPKQIGHZZLK-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001207379243 1034323613 /nfs/dbraw/zinc/32/36/13/1034323613.db2.gz SSMXPKQIGHZZLK-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207379243 1034323621 /nfs/dbraw/zinc/32/36/21/1034323621.db2.gz SSMXPKQIGHZZLK-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001207379243 1034323634 /nfs/dbraw/zinc/32/36/34/1034323634.db2.gz SSMXPKQIGHZZLK-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP Clc1cccc(CC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001207423275 1034359039 /nfs/dbraw/zinc/35/90/39/1034359039.db2.gz GVALZGHSXSACJJ-UHFFFAOYSA-N 2 1 399.966 3.892 20 0 GHADMP COc1cccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001207427187 1034364850 /nfs/dbraw/zinc/36/48/50/1034364850.db2.gz JVNYDTOBJLLPIS-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001207427187 1034364858 /nfs/dbraw/zinc/36/48/58/1034364858.db2.gz JVNYDTOBJLLPIS-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001207427187 1034364864 /nfs/dbraw/zinc/36/48/64/1034364864.db2.gz JVNYDTOBJLLPIS-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001207427187 1034364878 /nfs/dbraw/zinc/36/48/78/1034364878.db2.gz JVNYDTOBJLLPIS-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP C[NH+]1CCC(CC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001207488700 1034394602 /nfs/dbraw/zinc/39/46/02/1034394602.db2.gz OWPNSVUQCWWRLN-LJQANCHMSA-N 2 1 379.589 3.830 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N(C)C(C)(C)C[NH3+])n2)CCC4)CC1 ZINC001159055403 1034402972 /nfs/dbraw/zinc/40/29/72/1034402972.db2.gz LTUGKKFLEDUYLR-UHFFFAOYSA-N 2 1 387.597 3.585 20 0 GHADMP Fc1ccccc1CCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001207497940 1034403176 /nfs/dbraw/zinc/40/31/76/1034403176.db2.gz FJJZJGYPFHONKO-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccccc1CC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001207497940 1034403187 /nfs/dbraw/zinc/40/31/87/1034403187.db2.gz FJJZJGYPFHONKO-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccccc1CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001207497940 1034403196 /nfs/dbraw/zinc/40/31/96/1034403196.db2.gz FJJZJGYPFHONKO-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccccc1CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001207497940 1034403205 /nfs/dbraw/zinc/40/32/05/1034403205.db2.gz FJJZJGYPFHONKO-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccccc1CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001207497940 1034403214 /nfs/dbraw/zinc/40/32/14/1034403214.db2.gz FJJZJGYPFHONKO-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP c1cnn(Cc2cnc3n2CC[N@H+](CC(c2ccccc2)c2ccccc2)CC3)c1 ZINC001207525159 1034427676 /nfs/dbraw/zinc/42/76/76/1034427676.db2.gz BWTBDUKZRDKJIY-UHFFFAOYSA-N 2 1 397.526 3.818 20 0 GHADMP COc1cccc(CCC[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001207560210 1034448427 /nfs/dbraw/zinc/44/84/27/1034448427.db2.gz CRIMKDMHRQLAKY-NRFANRHFSA-N 2 1 398.547 3.976 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC001207597570 1034474844 /nfs/dbraw/zinc/47/48/44/1034474844.db2.gz LSYFMQGESNLVLG-SFHVURJKSA-N 2 1 378.944 3.622 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC001207597570 1034474854 /nfs/dbraw/zinc/47/48/54/1034474854.db2.gz LSYFMQGESNLVLG-SFHVURJKSA-N 2 1 378.944 3.622 20 0 GHADMP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001159391303 1034576309 /nfs/dbraw/zinc/57/63/09/1034576309.db2.gz QPNCLWWBHRQKST-SESVDKBCSA-N 2 1 393.579 3.804 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231505962 1034650150 /nfs/dbraw/zinc/65/01/50/1034650150.db2.gz WMVQNGZRGKXFPM-GOTSBHOMSA-N 2 1 380.532 3.666 20 0 GHADMP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)o1 ZINC001208157039 1034761276 /nfs/dbraw/zinc/76/12/76/1034761276.db2.gz SJVDCTNBQKTYAS-XGARDCMYSA-N 2 1 397.567 3.548 20 0 GHADMP Cc1ccc([C@@H](C)CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)o1 ZINC001208157039 1034761288 /nfs/dbraw/zinc/76/12/88/1034761288.db2.gz SJVDCTNBQKTYAS-XGARDCMYSA-N 2 1 397.567 3.548 20 0 GHADMP Cc1ccc([C@@H](C)CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)o1 ZINC001208157039 1034761294 /nfs/dbraw/zinc/76/12/94/1034761294.db2.gz SJVDCTNBQKTYAS-XGARDCMYSA-N 2 1 397.567 3.548 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CCCC1 ZINC001208185221 1034780427 /nfs/dbraw/zinc/78/04/27/1034780427.db2.gz XOGBXLFDNFDJSY-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+](C)CC1(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC001208187214 1034785582 /nfs/dbraw/zinc/78/55/82/1034785582.db2.gz IYARFUAIDYMWCR-UHFFFAOYSA-N 2 1 377.960 3.610 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCCC1 ZINC001208187214 1034785591 /nfs/dbraw/zinc/78/55/91/1034785591.db2.gz IYARFUAIDYMWCR-UHFFFAOYSA-N 2 1 377.960 3.610 20 0 GHADMP Fc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001160098895 1034858169 /nfs/dbraw/zinc/85/81/69/1034858169.db2.gz LUHIJHLVKSIOCN-UHFFFAOYSA-N 2 1 385.483 3.532 20 0 GHADMP C[NH+]1CCN(c2c(F)cccc2Nc2ccc(COC3CC[NH2+]CC3)cc2)CC1 ZINC001160122452 1034870549 /nfs/dbraw/zinc/87/05/49/1034870549.db2.gz MPBGFGAOGXKDBP-UHFFFAOYSA-N 2 1 398.526 3.590 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001208596524 1034950409 /nfs/dbraw/zinc/95/04/09/1034950409.db2.gz RLZKABLSSWTJTB-FQEVSTJZSA-N 3 1 391.625 3.535 20 0 GHADMP COCCO[C@H]1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001208616513 1034954819 /nfs/dbraw/zinc/95/48/19/1034954819.db2.gz ZLJLESNGEFOHIS-OFNKIYASSA-N 2 1 386.580 3.860 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001208632483 1034961587 /nfs/dbraw/zinc/96/15/87/1034961587.db2.gz RMHUSZBQYIPYPG-WGSAOQKQSA-N 2 1 376.516 3.701 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001208632483 1034961591 /nfs/dbraw/zinc/96/15/91/1034961591.db2.gz RMHUSZBQYIPYPG-WGSAOQKQSA-N 2 1 376.516 3.701 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CC[C@@H](C)CC(C)(C)C)CCC2 ZINC001208659659 1034971810 /nfs/dbraw/zinc/97/18/10/1034971810.db2.gz KSIYDFZTYMQREH-GOSISDBHSA-N 2 1 376.589 3.753 20 0 GHADMP c1ccc(COCCOCC[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001208749626 1034996664 /nfs/dbraw/zinc/99/66/64/1034996664.db2.gz DDFPCXNRFQTRQI-DQEYMECFSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001208749626 1034996667 /nfs/dbraw/zinc/99/66/67/1034996667.db2.gz DDFPCXNRFQTRQI-DQEYMECFSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001208749626 1034996673 /nfs/dbraw/zinc/99/66/73/1034996673.db2.gz DDFPCXNRFQTRQI-DQEYMECFSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001208749626 1034996675 /nfs/dbraw/zinc/99/66/75/1034996675.db2.gz DDFPCXNRFQTRQI-DQEYMECFSA-N 2 1 394.559 3.674 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001208784479 1035019212 /nfs/dbraw/zinc/01/92/12/1035019212.db2.gz ZCMYHVWQWQTMFY-LJQANCHMSA-N 2 1 391.556 3.701 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCc2ccccc2C1 ZINC001160685227 1035036818 /nfs/dbraw/zinc/03/68/18/1035036818.db2.gz HKBJVCBOIAQKEM-WMZHIEFXSA-N 2 1 391.559 3.672 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@@H+]1CCc2ccccc2C1 ZINC001160685227 1035036827 /nfs/dbraw/zinc/03/68/27/1035036827.db2.gz HKBJVCBOIAQKEM-WMZHIEFXSA-N 2 1 391.559 3.672 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@H+]1CCc2ccccc2C1 ZINC001160685227 1035036830 /nfs/dbraw/zinc/03/68/30/1035036830.db2.gz HKBJVCBOIAQKEM-WMZHIEFXSA-N 2 1 391.559 3.672 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014095 1035044837 /nfs/dbraw/zinc/04/48/37/1035044837.db2.gz JXVDPTBTQZRRIM-UHFFFAOYSA-N 2 1 375.398 3.689 20 0 GHADMP COc1ccc(-c2c(C[N@@H+](C)Cc3ccc(-n4ccnc4)cc3)cnn2C)cc1 ZINC001232111033 1035100166 /nfs/dbraw/zinc/10/01/66/1035100166.db2.gz QBVWAIZVXWVETG-UHFFFAOYSA-N 2 1 387.487 3.913 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939481 1035108322 /nfs/dbraw/zinc/10/83/22/1035108322.db2.gz BWGXBPRGJGXHOQ-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939481 1035108330 /nfs/dbraw/zinc/10/83/30/1035108330.db2.gz BWGXBPRGJGXHOQ-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939481 1035108334 /nfs/dbraw/zinc/10/83/34/1035108334.db2.gz BWGXBPRGJGXHOQ-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939481 1035108343 /nfs/dbraw/zinc/10/83/43/1035108343.db2.gz BWGXBPRGJGXHOQ-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cccc(N2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC2)n1 ZINC001208940301 1035108462 /nfs/dbraw/zinc/10/84/62/1035108462.db2.gz QVDZETNOIYMSOT-QHCPKHFHSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccc(N2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940301 1035108467 /nfs/dbraw/zinc/10/84/67/1035108467.db2.gz QVDZETNOIYMSOT-QHCPKHFHSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccc(N2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208940301 1035108470 /nfs/dbraw/zinc/10/84/70/1035108470.db2.gz QVDZETNOIYMSOT-QHCPKHFHSA-N 2 1 378.564 3.814 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(NC/C=C/C[NH3+])c32)C1 ZINC001160983065 1035111552 /nfs/dbraw/zinc/11/15/52/1035111552.db2.gz XEIBDJONLAXFHP-BWPKMQGJSA-N 2 1 385.581 3.729 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947872 1035119539 /nfs/dbraw/zinc/11/95/39/1035119539.db2.gz MZNRXCCLHAQCBJ-JRFVFWCSSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947872 1035119542 /nfs/dbraw/zinc/11/95/42/1035119542.db2.gz MZNRXCCLHAQCBJ-JRFVFWCSSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947872 1035119547 /nfs/dbraw/zinc/11/95/47/1035119547.db2.gz MZNRXCCLHAQCBJ-JRFVFWCSSA-N 2 1 392.543 3.787 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950397 1035121753 /nfs/dbraw/zinc/12/17/53/1035121753.db2.gz SVEWQQCTCKDBCH-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950397 1035121757 /nfs/dbraw/zinc/12/17/57/1035121757.db2.gz SVEWQQCTCKDBCH-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950397 1035121762 /nfs/dbraw/zinc/12/17/62/1035121762.db2.gz SVEWQQCTCKDBCH-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H]2CCNC(=O)OC(C)(C)C)c1 ZINC001232146513 1035124573 /nfs/dbraw/zinc/12/45/73/1035124573.db2.gz RPGDBRXXAKAAPB-IBGZPJMESA-N 2 1 379.520 3.767 20 0 GHADMP O=C([C@H]1CCC2(C1)CC[NH2+]CC2)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161055710 1035127391 /nfs/dbraw/zinc/12/73/91/1035127391.db2.gz HLBIJXLCODTRFD-GMAHTHKFSA-N 2 1 395.591 3.812 20 0 GHADMP C[C@H]([NH3+])c1cccc(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)c1 ZINC001161057741 1035128392 /nfs/dbraw/zinc/12/83/92/1035128392.db2.gz FOBGSJCACKYGCS-MBSDFSHPSA-N 2 1 377.532 3.976 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C(=O)OCc3ccccc3)C2)c1 ZINC001232151619 1035130445 /nfs/dbraw/zinc/13/04/45/1035130445.db2.gz PDQCUFMCZMNHIR-OAQYLSRUSA-N 2 1 384.495 3.843 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001232151034 1035130516 /nfs/dbraw/zinc/13/05/16/1035130516.db2.gz JUXIBBJBSSZKDQ-IHPCNDPISA-N 2 1 391.531 3.622 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](CCOC(=O)c1ccccc1)CC2 ZINC001209043497 1035156040 /nfs/dbraw/zinc/15/60/40/1035156040.db2.gz SCVXNLNDNOHLKL-UHFFFAOYSA-N 2 1 397.519 3.579 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](CCOC(=O)c1ccccc1)CC2 ZINC001209043497 1035156044 /nfs/dbraw/zinc/15/60/44/1035156044.db2.gz SCVXNLNDNOHLKL-UHFFFAOYSA-N 2 1 397.519 3.579 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC001209148209 1035193478 /nfs/dbraw/zinc/19/34/78/1035193478.db2.gz YNIFFODAYRMVPK-UHFFFAOYSA-N 2 1 391.559 3.936 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001161281896 1035200875 /nfs/dbraw/zinc/20/08/75/1035200875.db2.gz PTAVCMXRLDQQJJ-UHFFFAOYSA-N 2 1 377.548 3.727 20 0 GHADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)C1 ZINC001161387688 1035220114 /nfs/dbraw/zinc/22/01/14/1035220114.db2.gz SYJBGGABVGJRFG-WMLDXEAASA-N 2 1 394.302 3.767 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCCOCc1ccccc1)C2 ZINC001209254949 1035223800 /nfs/dbraw/zinc/22/38/00/1035223800.db2.gz VFOKUKDYHCHIDN-ZEQRLZLVSA-N 2 1 386.580 3.664 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209317888 1035239888 /nfs/dbraw/zinc/23/98/88/1035239888.db2.gz HLUQYNQYJYITBU-FKBYEOEOSA-N 2 1 399.579 3.622 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC1Cc3ccccc3C1)CC2 ZINC001209321968 1035242443 /nfs/dbraw/zinc/24/24/43/1035242443.db2.gz YKAMMUSNCBFUOS-XMMPIXPASA-N 2 1 391.559 3.552 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN(CCC[NH+]2CCCCC2)CC3)cs1 ZINC001209452012 1035278247 /nfs/dbraw/zinc/27/82/47/1035278247.db2.gz ZKRUQRLFBBAEOI-UHFFFAOYSA-N 2 1 376.614 3.758 20 0 GHADMP Fc1ccc2c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c[nH]c2c1 ZINC001209686764 1035355616 /nfs/dbraw/zinc/35/56/16/1035355616.db2.gz INFRALJHLUDNNL-UHFFFAOYSA-N 2 1 383.467 3.767 20 0 GHADMP Fc1ccc2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c[nH]c2c1 ZINC001209686764 1035355623 /nfs/dbraw/zinc/35/56/23/1035355623.db2.gz INFRALJHLUDNNL-UHFFFAOYSA-N 2 1 383.467 3.767 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)no1 ZINC001248895273 1036225234 /nfs/dbraw/zinc/22/52/34/1036225234.db2.gz CZCUWGVFNRRKJP-LBPRGKRZSA-N 2 1 390.793 3.678 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2cc(Cl)cc(Br)c2)no1 ZINC001248895432 1036226950 /nfs/dbraw/zinc/22/69/50/1036226950.db2.gz DWEDKDORDPUQJA-CYBMUJFWSA-N 2 1 385.693 3.542 20 0 GHADMP O[C@@H](C[NH2+][C@@H]1CC12C[NH2+]C2)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246011633 1037132040 /nfs/dbraw/zinc/13/20/40/1037132040.db2.gz XXLDEIRPWCWLDI-ZWKOTPCHSA-N 2 1 375.299 3.550 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246020509 1037138046 /nfs/dbraw/zinc/13/80/46/1037138046.db2.gz CFZWMCNAEKNUEN-UUOWRZLLSA-N 2 1 393.531 3.526 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H](O)COc2ccc(F)cc2)CC2CCCCC2)CC1 ZINC001246065794 1037178517 /nfs/dbraw/zinc/17/85/17/1037178517.db2.gz JMLYUQIOFOCAAC-ACRUOGEOSA-N 2 1 378.532 3.718 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067920 1037184066 /nfs/dbraw/zinc/18/40/66/1037184066.db2.gz QJYSQMOHLVNYCD-SQOUVECCSA-N 2 1 391.600 3.747 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071519 1037186136 /nfs/dbraw/zinc/18/61/36/1037186136.db2.gz SWJFBMSNZGPRMT-JMJGKCIBSA-N 2 1 391.600 3.747 20 0 GHADMP CC1(C)C[C@H](N[C@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)CC[NH2+]1 ZINC001246122514 1037200385 /nfs/dbraw/zinc/20/03/85/1037200385.db2.gz BDBXRPWQXHRDJV-PBHICJAKSA-N 2 1 392.385 3.635 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N[C@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148027 1037214129 /nfs/dbraw/zinc/21/41/29/1037214129.db2.gz ORLFKJWHZDQVBW-DIVFVBEMSA-N 2 1 387.571 3.559 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246227715 1037247042 /nfs/dbraw/zinc/24/70/42/1037247042.db2.gz HRGXPNIQBXBATB-RTWAWAEBSA-N 2 1 386.486 3.957 20 0 GHADMP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001246255045 1037256756 /nfs/dbraw/zinc/25/67/56/1037256756.db2.gz BJIQABUICQLUNR-AQNXPRMDSA-N 2 1 378.438 3.692 20 0 GHADMP COC(=O)C1C[C@@H]2CC([NH2+]Cc3ccccc3Oc3ccc(F)cc3)C[C@H](C1)[NH2+]2 ZINC001246258108 1037259816 /nfs/dbraw/zinc/25/98/16/1037259816.db2.gz VXVWIUULORWPOX-WHUJAJFLSA-N 2 1 398.478 3.780 20 0 GHADMP Nc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001246342642 1037303913 /nfs/dbraw/zinc/30/39/13/1037303913.db2.gz IPLNTEIQFXMIOW-ROUUACIJSA-N 2 1 379.426 3.620 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246361861 1037319919 /nfs/dbraw/zinc/31/99/19/1037319919.db2.gz PFWWLUITFTXMKY-IBGZPJMESA-N 2 1 394.401 3.781 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)CC[NH2+]1 ZINC001246369051 1037327258 /nfs/dbraw/zinc/32/72/58/1037327258.db2.gz BBMGPHYPLOSNHE-RCCFBDPRSA-N 2 1 397.357 3.954 20 0 GHADMP Fc1ccc(CC2([NH2+]C3CCN(Cc4ccccc4)CC3)CC[NH2+]CC2)cc1 ZINC001246390924 1037349890 /nfs/dbraw/zinc/34/98/90/1037349890.db2.gz MLKOIHZLBQEOFF-UHFFFAOYSA-N 2 1 381.539 3.745 20 0 GHADMP FC(F)(F)c1ccc(C2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246419013 1037375462 /nfs/dbraw/zinc/37/54/62/1037375462.db2.gz BVVWAOJWSFZJEK-RBUKOAKNSA-N 2 1 381.486 3.796 20 0 GHADMP Fc1ccccc1C1([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC[NH2+]CC1 ZINC001246427179 1037385218 /nfs/dbraw/zinc/38/52/18/1037385218.db2.gz CNVGUSYXLPTIPH-AWEZNQCLSA-N 2 1 378.413 3.969 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246441572 1037403686 /nfs/dbraw/zinc/40/36/86/1037403686.db2.gz JCKRQVGUIOWDDU-UTRMSSBJSA-N 3 1 380.374 3.662 20 0 GHADMP CC[C@@H]1CC([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)C[C@@H](CC)[NH2+]1 ZINC001246466372 1037421262 /nfs/dbraw/zinc/42/12/62/1037421262.db2.gz QBFVPOQHSCMTNR-IAGOWNOFSA-N 2 1 381.499 3.934 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246476933 1037425994 /nfs/dbraw/zinc/42/59/94/1037425994.db2.gz DTWJOEULDNMCDA-GHTZIAJQSA-N 2 1 386.561 3.776 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC1 ZINC001246488583 1037435588 /nfs/dbraw/zinc/43/55/88/1037435588.db2.gz INPZLFAGJBUPKJ-NRFANRHFSA-N 2 1 391.625 3.654 20 0 GHADMP NC1=CC=C(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)[NH2+]C1 ZINC001246497255 1037441096 /nfs/dbraw/zinc/44/10/96/1037441096.db2.gz XBYHXTGITZIEQD-UBRQYEGLSA-N 3 1 392.591 3.614 20 0 GHADMP NC1=CC=C(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)CC2)[NH2+]C1 ZINC001246497255 1037441106 /nfs/dbraw/zinc/44/11/06/1037441106.db2.gz XBYHXTGITZIEQD-UBRQYEGLSA-N 2 1 392.591 3.614 20 0 GHADMP COc1cccc(C(=O)N2CCC([N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)CC2)c1 ZINC001246604250 1037498683 /nfs/dbraw/zinc/49/86/83/1037498683.db2.gz JXWXQBFOVGCPJJ-XMMPIXPASA-N 2 1 399.579 3.546 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)cc1 ZINC001462192901 1070070928 /nfs/dbraw/zinc/07/09/28/1070070928.db2.gz QSDUYCLUEZDZCW-KRWDZBQOSA-N 2 1 385.499 3.729 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246618715 1037510386 /nfs/dbraw/zinc/51/03/86/1037510386.db2.gz KBTPODDJNRLBJO-GOTSBHOMSA-N 2 1 397.607 3.712 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001462189573 1070067681 /nfs/dbraw/zinc/06/76/81/1070067681.db2.gz CGXXOTLDXBNHPQ-MRXNPFEDSA-N 2 1 375.454 3.692 20 0 GHADMP Brc1ccc(N2CCC([N@@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246644890 1037526048 /nfs/dbraw/zinc/52/60/48/1037526048.db2.gz SAFPEAWIFLVKOI-IBGZPJMESA-N 2 1 378.358 3.636 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCCC[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246644890 1037526056 /nfs/dbraw/zinc/52/60/56/1037526056.db2.gz SAFPEAWIFLVKOI-IBGZPJMESA-N 2 1 378.358 3.636 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)CO2 ZINC001246672963 1037538176 /nfs/dbraw/zinc/53/81/76/1037538176.db2.gz NIHZKUSKGVIOOJ-IEIRFRATSA-N 2 1 382.935 3.897 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)CO2 ZINC001246672963 1037538195 /nfs/dbraw/zinc/53/81/95/1037538195.db2.gz NIHZKUSKGVIOOJ-IEIRFRATSA-N 2 1 382.935 3.897 20 0 GHADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246678637 1037542411 /nfs/dbraw/zinc/54/24/11/1037542411.db2.gz PAJQHRFHVATMDP-GOTSBHOMSA-N 2 1 380.532 3.805 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246705623 1037557515 /nfs/dbraw/zinc/55/75/15/1037557515.db2.gz ZLZPPPASYLRAJY-HKUYNNGSSA-N 2 1 380.374 3.882 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+](C2CCC4(CCC[NH2+]C4)CC2)CC3)cc1 ZINC001246716218 1037566943 /nfs/dbraw/zinc/56/69/43/1037566943.db2.gz DZHIAYABBGPESI-UHFFFAOYSA-N 2 1 394.538 3.996 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)CC[NH2+]1 ZINC001246727146 1037577780 /nfs/dbraw/zinc/57/77/80/1037577780.db2.gz USEGMPSFMHIKSI-FKEBYFGASA-N 2 1 375.601 3.943 20 0 GHADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+](C4CCC5(CCC[NH2+]C5)CC4)C3)C2=O)c1 ZINC001246729438 1037578104 /nfs/dbraw/zinc/57/81/04/1037578104.db2.gz OCTLOKVAOIBRAF-DWJCEPTDSA-N 2 1 395.591 3.732 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCC[C@]4(CC[NH2+]C4)C2)CC3)c1 ZINC001246744018 1037584976 /nfs/dbraw/zinc/58/49/76/1037584976.db2.gz YFICHEMJDABCCN-RDGATRHJSA-N 3 1 397.607 3.905 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCC[C@@]5(CC[NH2+]C5)C4)CC3)C2)cc1 ZINC001246747072 1037588863 /nfs/dbraw/zinc/58/88/63/1037588863.db2.gz NHENMDZMDAXOSZ-DNQXCXABSA-N 3 1 397.607 3.584 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+]([C@@H]4CCC[C@@]5(CC[NH2+]C5)C4)CC3)C2)cc1 ZINC001246747072 1037588878 /nfs/dbraw/zinc/58/88/78/1037588878.db2.gz NHENMDZMDAXOSZ-DNQXCXABSA-N 2 1 397.607 3.584 20 0 GHADMP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc21 ZINC001246751404 1037589867 /nfs/dbraw/zinc/58/98/67/1037589867.db2.gz GINQUKQRHZWRGU-NHCUHLMSSA-N 2 1 397.607 3.908 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246761380 1037605232 /nfs/dbraw/zinc/60/52/32/1037605232.db2.gz BBPZNLMQQFXPIQ-WQFQCULDSA-N 2 1 391.506 3.560 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)CC2=O)cc1 ZINC001246776101 1037617931 /nfs/dbraw/zinc/61/79/31/1037617931.db2.gz IBTJYIKHKYMEOF-XMMPIXPASA-N 2 1 381.564 3.736 20 0 GHADMP COCCCN([C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246807803 1037642202 /nfs/dbraw/zinc/64/22/02/1037642202.db2.gz LWPIVHUNJWGBHV-KIHHCIJBSA-N 2 1 385.596 3.663 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+]([C@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246808170 1037642822 /nfs/dbraw/zinc/64/28/22/1037642822.db2.gz RLPLFYUUXMVLAD-CPJSRVTESA-N 2 1 393.575 3.842 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246817064 1037650232 /nfs/dbraw/zinc/65/02/32/1037650232.db2.gz ISEAAOOQYCTFIU-MJGOQNOKSA-N 2 1 380.374 3.882 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246820747 1037652000 /nfs/dbraw/zinc/65/20/00/1037652000.db2.gz XHMJDPRJSUJTAK-UHFFFAOYSA-N 2 1 396.501 3.925 20 0 GHADMP CC1(C)C[C@H](N2CC[NH2+]C[C@@H]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001246837514 1037665453 /nfs/dbraw/zinc/66/54/53/1037665453.db2.gz ODHYJVLYPMASKQ-RPWUZVMVSA-N 2 1 377.576 3.946 20 0 GHADMP C[C@@H]1CC([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246879117 1037691492 /nfs/dbraw/zinc/69/14/92/1037691492.db2.gz LXDXNSUTKYGVTC-LUHVKKMXSA-N 3 1 389.587 3.901 20 0 GHADMP C[C@@H]1CC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246879117 1037691502 /nfs/dbraw/zinc/69/15/02/1037691502.db2.gz LXDXNSUTKYGVTC-LUHVKKMXSA-N 3 1 389.587 3.901 20 0 GHADMP C[C@@H]1CC([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246879117 1037691519 /nfs/dbraw/zinc/69/15/19/1037691519.db2.gz LXDXNSUTKYGVTC-LUHVKKMXSA-N 2 1 389.587 3.901 20 0 GHADMP C[C@@H]1CC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246879117 1037691537 /nfs/dbraw/zinc/69/15/37/1037691537.db2.gz LXDXNSUTKYGVTC-LUHVKKMXSA-N 2 1 389.587 3.901 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246885300 1037701746 /nfs/dbraw/zinc/70/17/46/1037701746.db2.gz DLYHFWXCAZCZNR-RTBURBONSA-N 2 1 377.960 3.797 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246885300 1037701764 /nfs/dbraw/zinc/70/17/64/1037701764.db2.gz DLYHFWXCAZCZNR-RTBURBONSA-N 2 1 377.960 3.797 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246890311 1037705845 /nfs/dbraw/zinc/70/58/45/1037705845.db2.gz ISFPKVYZTCDIGL-ZDXQCDESSA-N 2 1 385.596 3.904 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC001246926171 1037731503 /nfs/dbraw/zinc/73/15/03/1037731503.db2.gz SIRJYIFCEVTTLS-WIYYLYMNSA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC001246926171 1037731522 /nfs/dbraw/zinc/73/15/22/1037731522.db2.gz SIRJYIFCEVTTLS-WIYYLYMNSA-N 2 1 398.547 3.898 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1)CC2 ZINC001246932723 1037735764 /nfs/dbraw/zinc/73/57/64/1037735764.db2.gz GICVVNLBCINLPK-WWAKMMQFSA-N 2 1 388.527 3.892 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001246936309 1037742581 /nfs/dbraw/zinc/74/25/81/1037742581.db2.gz HHURJNZNLHMKKJ-XMMPIXPASA-N 2 1 381.539 3.902 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246950431 1037753603 /nfs/dbraw/zinc/75/36/03/1037753603.db2.gz UODMZBKRJCSDEO-JOCHJYFZSA-N 3 1 378.649 3.571 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246952822 1037758619 /nfs/dbraw/zinc/75/86/19/1037758619.db2.gz WYPANSNMKMJBFQ-UWJYYQICSA-N 2 1 376.516 3.810 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3c(cccc3OC)C2)cc1 ZINC001246968009 1037791562 /nfs/dbraw/zinc/79/15/62/1037791562.db2.gz WLCDTUHGFUBKIB-NRFANRHFSA-N 2 1 380.532 3.815 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246971589 1037794770 /nfs/dbraw/zinc/79/47/70/1037794770.db2.gz WBLRIEPDWPJJJB-FMKPAKJESA-N 2 1 386.462 3.648 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246971589 1037794790 /nfs/dbraw/zinc/79/47/90/1037794790.db2.gz WBLRIEPDWPJJJB-FMKPAKJESA-N 2 1 386.462 3.648 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246984583 1037810172 /nfs/dbraw/zinc/81/01/72/1037810172.db2.gz MHWIQZXXBUXKGR-ZLSIYFNSSA-N 2 1 377.576 3.945 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]1 ZINC001246985565 1037811044 /nfs/dbraw/zinc/81/10/44/1037811044.db2.gz AKSOUNOYWWDVMW-NZQKXSOJSA-N 2 1 375.560 3.924 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]1 ZINC001246985565 1037811071 /nfs/dbraw/zinc/81/10/71/1037811071.db2.gz AKSOUNOYWWDVMW-NZQKXSOJSA-N 2 1 375.560 3.924 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246991451 1037814745 /nfs/dbraw/zinc/81/47/45/1037814745.db2.gz AZPSAAMNUHZPGP-MALNDZBISA-N 2 1 396.506 3.816 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@@H]1c1ccccc1 ZINC001246991451 1037814755 /nfs/dbraw/zinc/81/47/55/1037814755.db2.gz AZPSAAMNUHZPGP-MALNDZBISA-N 2 1 396.506 3.816 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)c1-c1ccccc1 ZINC001246992248 1037815869 /nfs/dbraw/zinc/81/58/69/1037815869.db2.gz VJQHVORSHNGQBC-BMGDILEWSA-N 2 1 384.549 3.698 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001247010082 1037835506 /nfs/dbraw/zinc/83/55/06/1037835506.db2.gz MSGQULYNOXAYKI-QFBILLFUSA-N 2 1 392.385 3.802 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(Br)cc2C)CC1 ZINC001232316172 1038082104 /nfs/dbraw/zinc/08/21/04/1038082104.db2.gz LVCWAPACVJNDNC-UHFFFAOYSA-N 2 1 375.314 3.595 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354070 1038133734 /nfs/dbraw/zinc/13/37/34/1038133734.db2.gz DLBWPBBLNQBWPK-NYVOZVTQSA-N 2 1 380.536 3.526 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354070 1038133745 /nfs/dbraw/zinc/13/37/45/1038133745.db2.gz DLBWPBBLNQBWPK-NYVOZVTQSA-N 2 1 380.536 3.526 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1OC(C)C)C2 ZINC001232392160 1038175504 /nfs/dbraw/zinc/17/55/04/1038175504.db2.gz QYYABDXZLBWPRO-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1OC(C)C)C2 ZINC001232392160 1038175513 /nfs/dbraw/zinc/17/55/13/1038175513.db2.gz QYYABDXZLBWPRO-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1OC(C)C)C2 ZINC001232392160 1038175520 /nfs/dbraw/zinc/17/55/20/1038175520.db2.gz QYYABDXZLBWPRO-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1OC(C)C)C2 ZINC001232392160 1038175528 /nfs/dbraw/zinc/17/55/28/1038175528.db2.gz QYYABDXZLBWPRO-VWNXMTODSA-N 2 1 386.580 3.963 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232433208 1038212462 /nfs/dbraw/zinc/21/24/62/1038212462.db2.gz OIOVXEBRFQMGTO-UXHICEINSA-N 2 1 385.552 3.758 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232433208 1038212478 /nfs/dbraw/zinc/21/24/78/1038212478.db2.gz OIOVXEBRFQMGTO-UXHICEINSA-N 2 1 385.552 3.758 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232433208 1038212487 /nfs/dbraw/zinc/21/24/87/1038212487.db2.gz OIOVXEBRFQMGTO-UXHICEINSA-N 2 1 385.552 3.758 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)CO[C@@H]3c2ccc(F)cc2)no1 ZINC001247692799 1038331604 /nfs/dbraw/zinc/33/16/04/1038331604.db2.gz GVAUOGKQYFLRDA-RBUKOAKNSA-N 2 1 382.439 3.624 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)c3ccccc23)no1 ZINC001247693762 1038332183 /nfs/dbraw/zinc/33/21/83/1038332183.db2.gz UIJPCCQVFQKDAX-HNNXBMFYSA-N 2 1 375.270 3.781 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CO[C@H]3c2ccc(F)cc2)no1 ZINC001247697587 1038336875 /nfs/dbraw/zinc/33/68/75/1038336875.db2.gz GVAUOGKQYFLRDA-MOPGFXCFSA-N 2 1 382.439 3.624 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+](Cc1ccc3ccsc3c1)CCC2 ZINC001232610977 1038396869 /nfs/dbraw/zinc/39/68/69/1038396869.db2.gz CREGWWCXSPJORY-UHFFFAOYSA-N 2 1 384.549 3.582 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1ccc3ccsc3c1)CCC2 ZINC001232610977 1038396882 /nfs/dbraw/zinc/39/68/82/1038396882.db2.gz CREGWWCXSPJORY-UHFFFAOYSA-N 2 1 384.549 3.582 20 0 GHADMP COc1cccc(C)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001232622944 1038411171 /nfs/dbraw/zinc/41/11/71/1038411171.db2.gz XSBUZHLRVHCYMU-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP CNc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001232668043 1038464944 /nfs/dbraw/zinc/46/49/44/1038464944.db2.gz MZSNTJXETMJBNK-UHFFFAOYSA-N 2 1 395.547 3.604 20 0 GHADMP CNc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001232668043 1038464950 /nfs/dbraw/zinc/46/49/50/1038464950.db2.gz MZSNTJXETMJBNK-UHFFFAOYSA-N 2 1 395.547 3.604 20 0 GHADMP Cc1nc2cc(-c3noc([C@@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)ccc2s1 ZINC001247906104 1038478287 /nfs/dbraw/zinc/47/82/87/1038478287.db2.gz UQLWQPLLGNFBFR-OAHLLOKOSA-N 2 1 383.521 3.586 20 0 GHADMP Oc1ccc2[nH]cc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001232865530 1038630499 /nfs/dbraw/zinc/63/04/99/1038630499.db2.gz AJFKYRZXNNUTTK-UHFFFAOYSA-N 2 1 376.504 3.757 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5ncoc5c4)CC3)C2)c1 ZINC001232939222 1038717621 /nfs/dbraw/zinc/71/76/21/1038717621.db2.gz GJUJTNKPUFJVBT-UHFFFAOYSA-N 2 1 383.517 3.756 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5ncoc5c4)CC3)C2)c1 ZINC001232939222 1038717631 /nfs/dbraw/zinc/71/76/31/1038717631.db2.gz GJUJTNKPUFJVBT-UHFFFAOYSA-N 2 1 383.517 3.756 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942490 1038721716 /nfs/dbraw/zinc/72/17/16/1038721716.db2.gz ZXJKHEKSMZHBQH-SYYKKAFVSA-N 2 1 376.504 3.955 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942490 1038721730 /nfs/dbraw/zinc/72/17/30/1038721730.db2.gz ZXJKHEKSMZHBQH-SYYKKAFVSA-N 2 1 376.504 3.955 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4ncoc4c3)C[C@H]21 ZINC001232942490 1038721735 /nfs/dbraw/zinc/72/17/35/1038721735.db2.gz ZXJKHEKSMZHBQH-SYYKKAFVSA-N 2 1 376.504 3.955 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(F)cnc4C)CC3)C2)cc1 ZINC001232989749 1038752942 /nfs/dbraw/zinc/75/29/42/1038752942.db2.gz WYFCOMQVFMKYTP-UHFFFAOYSA-N 2 1 383.511 3.705 20 0 GHADMP COc1c(O)cccc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001233255351 1039022371 /nfs/dbraw/zinc/02/23/71/1039022371.db2.gz MAQDAFKCQZINOD-UHFFFAOYSA-N 2 1 381.520 3.672 20 0 GHADMP COCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281196 1039055587 /nfs/dbraw/zinc/05/55/87/1039055587.db2.gz RAYFBRCTXRTMOD-ZTCOLXNVSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281196 1039055600 /nfs/dbraw/zinc/05/56/00/1039055600.db2.gz RAYFBRCTXRTMOD-ZTCOLXNVSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281196 1039055611 /nfs/dbraw/zinc/05/56/11/1039055611.db2.gz RAYFBRCTXRTMOD-ZTCOLXNVSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001233281196 1039055622 /nfs/dbraw/zinc/05/56/22/1039055622.db2.gz RAYFBRCTXRTMOD-ZTCOLXNVSA-N 2 1 395.547 3.797 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001233299448 1039090905 /nfs/dbraw/zinc/09/09/05/1039090905.db2.gz ZRQZVTRPLHEEJT-MDRMPYQZSA-N 2 1 378.516 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001233299448 1039090925 /nfs/dbraw/zinc/09/09/25/1039090925.db2.gz ZRQZVTRPLHEEJT-MDRMPYQZSA-N 2 1 378.516 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001233299448 1039090949 /nfs/dbraw/zinc/09/09/49/1039090949.db2.gz ZRQZVTRPLHEEJT-MDRMPYQZSA-N 2 1 378.516 3.827 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)sn1 ZINC001233310801 1039101939 /nfs/dbraw/zinc/10/19/39/1039101939.db2.gz WFJBNHLIVBDJEZ-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252761891 1039151311 /nfs/dbraw/zinc/15/13/11/1039151311.db2.gz XLCRXLLYJMIRQS-FYYLOGMGSA-N 2 1 396.575 3.836 20 0 GHADMP Clc1ccn2cc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc2c1 ZINC001233391097 1039221601 /nfs/dbraw/zinc/22/16/01/1039221601.db2.gz VDNJFMIGUREFCU-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@](C)(O)c4ccccc4)CC3)C2)cc1 ZINC001253099334 1039423593 /nfs/dbraw/zinc/42/35/93/1039423593.db2.gz HOUSRIZQNBVJIC-DEOSSOPVSA-N 2 1 394.559 3.570 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001253728198 1039782467 /nfs/dbraw/zinc/78/24/67/1039782467.db2.gz NPQPRIYSWMNFMP-NRFANRHFSA-N 2 1 378.605 3.593 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254193871 1040042403 /nfs/dbraw/zinc/04/24/03/1040042403.db2.gz PZJRODYBUVCEIM-QWFCFKBJSA-N 2 1 395.588 3.527 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@@H]3CC[NH+]3C3CCCCCC3)C2)cc1 ZINC001254392682 1040206676 /nfs/dbraw/zinc/20/66/76/1040206676.db2.gz VHXYKOUIKHUSIB-GMAHTHKFSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCCCC3)C2)cc1 ZINC001254392682 1040206689 /nfs/dbraw/zinc/20/66/89/1040206689.db2.gz VHXYKOUIKHUSIB-GMAHTHKFSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)C2)cc1 ZINC001254392682 1040206696 /nfs/dbraw/zinc/20/66/96/1040206696.db2.gz VHXYKOUIKHUSIB-GMAHTHKFSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@H]3CC[NH+]3C3CCCCCC3)C2)cc1 ZINC001254392679 1040207402 /nfs/dbraw/zinc/20/74/02/1040207402.db2.gz VHXYKOUIKHUSIB-FYYLOGMGSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@H]3CC[N@@H+]3C3CCCCCC3)C2)cc1 ZINC001254392679 1040207411 /nfs/dbraw/zinc/20/74/11/1040207411.db2.gz VHXYKOUIKHUSIB-FYYLOGMGSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)C2)cc1 ZINC001254392679 1040207424 /nfs/dbraw/zinc/20/74/24/1040207424.db2.gz VHXYKOUIKHUSIB-FYYLOGMGSA-N 2 1 398.595 3.666 20 0 GHADMP CCCC[C@@H]([NH3+])Cc1cn(C2CC[NH+](CC(=O)OCC)CC2)c2ccccc12 ZINC001254400042 1040210337 /nfs/dbraw/zinc/21/03/37/1040210337.db2.gz XQFPCAPNECEWBW-LJQANCHMSA-N 2 1 385.552 3.901 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)CC1 ZINC001254520869 1040295827 /nfs/dbraw/zinc/29/58/27/1040295827.db2.gz FYMASFDFXJZNGV-HXUWFJFHSA-N 2 1 381.564 3.651 20 0 GHADMP Clc1cc(Cl)cc(-c2ccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cc2)c1 ZINC001234986945 1040482831 /nfs/dbraw/zinc/48/28/31/1040482831.db2.gz LOZBYLMONWZDEW-HXUWFJFHSA-N 2 1 376.331 3.798 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254788405 1040547264 /nfs/dbraw/zinc/54/72/64/1040547264.db2.gz SADCGTOOPAACOV-UHFFFAOYSA-N 2 1 376.545 3.741 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001235064645 1040551788 /nfs/dbraw/zinc/55/17/88/1040551788.db2.gz SNQCHVIIUHVQNC-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC001235064645 1040551804 /nfs/dbraw/zinc/55/18/04/1040551804.db2.gz SNQCHVIIUHVQNC-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](C1CCC3(CC1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001254796997 1040558924 /nfs/dbraw/zinc/55/89/24/1040558924.db2.gz JKHWZTNXKQQOBS-WZONZLPQSA-N 2 1 391.600 3.830 20 0 GHADMP Clc1cccc(I)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235091428 1040570307 /nfs/dbraw/zinc/57/03/07/1040570307.db2.gz BOLWVUTXKWPUEF-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC4CCN(CC4)C3)C2)CC1 ZINC001254853371 1040596826 /nfs/dbraw/zinc/59/68/26/1040596826.db2.gz OBIITFVNMBFNGN-LJQANCHMSA-N 2 1 377.573 3.584 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001254893322 1040647319 /nfs/dbraw/zinc/64/73/19/1040647319.db2.gz KPWRNVCOYXYGDX-FCGDIQPGSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001254893322 1040647339 /nfs/dbraw/zinc/64/73/39/1040647339.db2.gz KPWRNVCOYXYGDX-FCGDIQPGSA-N 2 1 377.573 3.629 20 0 GHADMP COc1cc(OC)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1Br ZINC001235154263 1040648920 /nfs/dbraw/zinc/64/89/20/1040648920.db2.gz KOPIKKLNEWLSIK-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccn1 ZINC001462481028 1070288641 /nfs/dbraw/zinc/28/86/41/1070288641.db2.gz LZWVZPIPXGFHJA-DENIHFKCSA-N 2 1 379.548 3.913 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912196 1040662931 /nfs/dbraw/zinc/66/29/31/1040662931.db2.gz AUTYVEPYWFHDOR-HGJUEJDCSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912196 1040662934 /nfs/dbraw/zinc/66/29/34/1040662934.db2.gz AUTYVEPYWFHDOR-HGJUEJDCSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912196 1040662944 /nfs/dbraw/zinc/66/29/44/1040662944.db2.gz AUTYVEPYWFHDOR-HGJUEJDCSA-N 2 1 391.600 3.971 20 0 GHADMP CC1(C)CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC001235179894 1040669398 /nfs/dbraw/zinc/66/93/98/1040669398.db2.gz CBPWNHABHOKZQY-FQEVSTJZSA-N 2 1 386.584 3.603 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1O ZINC001235231399 1040710756 /nfs/dbraw/zinc/71/07/56/1040710756.db2.gz YEFBHVYCHAWWTG-MRXNPFEDSA-N 2 1 383.330 3.517 20 0 GHADMP COc1c(Br)ccc(F)c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230232 1040710858 /nfs/dbraw/zinc/71/08/58/1040710858.db2.gz TYYXOKHNAKZGCD-KRWDZBQOSA-N 2 1 385.321 3.951 20 0 GHADMP COc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(OC)cc1Br ZINC001235230927 1040711369 /nfs/dbraw/zinc/71/13/69/1040711369.db2.gz XCLJDRYOVASTBM-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP COc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(Br)c1O ZINC001235242119 1040722576 /nfs/dbraw/zinc/72/25/76/1040722576.db2.gz RIKRKCHQDADSSH-HNNXBMFYSA-N 2 1 383.330 3.517 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001235254151 1040738351 /nfs/dbraw/zinc/73/83/51/1040738351.db2.gz OMQXUVWBRYYVGR-HSZRJFAPSA-N 2 1 379.548 3.900 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1c[nH]c3cccc(C)c13)C2 ZINC001235321039 1040793335 /nfs/dbraw/zinc/79/33/35/1040793335.db2.gz OHMROTHOTTWZRA-GBXCKJPGSA-N 2 1 395.547 3.621 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1[nH]c3ccccc3c1C)C2 ZINC001235325062 1040794621 /nfs/dbraw/zinc/79/46/21/1040794621.db2.gz ONSSQDONDFPQHU-XUZZJYLKSA-N 2 1 395.547 3.621 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235349211 1040822702 /nfs/dbraw/zinc/82/27/02/1040822702.db2.gz NYPRBYPURZBCSY-QLBJFCOMSA-N 2 1 375.560 3.588 20 0 GHADMP COC(=O)c1ccc2c(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c[nH]c2c1 ZINC001235350945 1040827479 /nfs/dbraw/zinc/82/74/79/1040827479.db2.gz LYBRMZOMFNKAMX-ZJSXRUAMSA-N 2 1 389.499 3.534 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](Cc2ccc(OC4CCOCC4)cc2)C3)cc1 ZINC001235354132 1040829035 /nfs/dbraw/zinc/82/90/35/1040829035.db2.gz AHVJKXGAMCQXMV-JWQCQUIFSA-N 2 1 392.543 3.824 20 0 GHADMP Fc1ccc(-n2cc(C[N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cn2)cc1 ZINC001235351890 1040829934 /nfs/dbraw/zinc/82/99/34/1040829934.db2.gz XUEONUOKBDULGO-DHIUTWEWSA-N 2 1 376.479 3.591 20 0 GHADMP Fc1ccc(-n2cc(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cn2)cc1 ZINC001235351890 1040829942 /nfs/dbraw/zinc/82/99/42/1040829942.db2.gz XUEONUOKBDULGO-DHIUTWEWSA-N 2 1 376.479 3.591 20 0 GHADMP CN(CC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001255137420 1040838688 /nfs/dbraw/zinc/83/86/88/1040838688.db2.gz RDQGJYXSMKSNIE-KOUNCHBCSA-N 2 1 399.579 3.981 20 0 GHADMP CN(CC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001255137420 1040838703 /nfs/dbraw/zinc/83/87/03/1040838703.db2.gz RDQGJYXSMKSNIE-KOUNCHBCSA-N 2 1 399.579 3.981 20 0 GHADMP c1ccc(-c2ccc3ccc(C[N@H+]4CC[C@@]56C[NH2+]C[C@@H](C[C@H]5C4)O6)cc3n2)cc1 ZINC001235366730 1040858575 /nfs/dbraw/zinc/85/85/75/1040858575.db2.gz FPUCHOWQKXSMFM-SGIRGMQISA-N 2 1 385.511 3.855 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CCCC1 ZINC001255145981 1040858981 /nfs/dbraw/zinc/85/89/81/1040858981.db2.gz YGXZTCBWPWKKKB-BJESRGMDSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)N1CCCC1 ZINC001255145981 1040859000 /nfs/dbraw/zinc/85/90/00/1040859000.db2.gz YGXZTCBWPWKKKB-BJESRGMDSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCC1 ZINC001255145981 1040859015 /nfs/dbraw/zinc/85/90/15/1040859015.db2.gz YGXZTCBWPWKKKB-BJESRGMDSA-N 2 1 381.564 3.659 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCC1 ZINC001255145981 1040859034 /nfs/dbraw/zinc/85/90/34/1040859034.db2.gz YGXZTCBWPWKKKB-BJESRGMDSA-N 2 1 381.564 3.659 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255147287 1040860064 /nfs/dbraw/zinc/86/00/64/1040860064.db2.gz NQHUSTNFGPCMSF-KOUNCHBCSA-N 2 1 385.552 3.735 20 0 GHADMP CCOC(=O)N1CCC([NH+](C)[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255147287 1040860080 /nfs/dbraw/zinc/86/00/80/1040860080.db2.gz NQHUSTNFGPCMSF-KOUNCHBCSA-N 2 1 385.552 3.735 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255148950 1040862751 /nfs/dbraw/zinc/86/27/51/1040862751.db2.gz DOYBAOFYENARMV-JKHIJQBDSA-N 2 1 395.591 3.905 20 0 GHADMP Nc1cccc(C[NH+]2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255150581 1040867769 /nfs/dbraw/zinc/86/77/69/1040867769.db2.gz WSELFBJRDJHXHW-LNWKWYTESA-N 2 1 390.575 3.582 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc2c1OCC=C2 ZINC001235369775 1040869876 /nfs/dbraw/zinc/86/98/76/1040869876.db2.gz UDXKAZMIJIHKED-RDGATRHJSA-N 2 1 390.527 3.854 20 0 GHADMP COc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc2c1OCC=C2 ZINC001235369775 1040869891 /nfs/dbraw/zinc/86/98/91/1040869891.db2.gz UDXKAZMIJIHKED-RDGATRHJSA-N 2 1 390.527 3.854 20 0 GHADMP FC(F)(F)c1cc(Cl)c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(Cl)c1 ZINC001235379247 1040900101 /nfs/dbraw/zinc/90/01/01/1040900101.db2.gz MPHBAEPZCGFTRG-XHBSWPGZSA-N 2 1 395.252 3.965 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1 ZINC001235380888 1040901017 /nfs/dbraw/zinc/90/10/17/1040901017.db2.gz WWJFGESOPHMDEJ-SXSPYAJSSA-N 2 1 381.495 3.546 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC001255199862 1040903185 /nfs/dbraw/zinc/90/31/85/1040903185.db2.gz JRTJDRCSXFGASN-VOFPXKNKSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC001255199862 1040903189 /nfs/dbraw/zinc/90/31/89/1040903189.db2.gz JRTJDRCSXFGASN-VOFPXKNKSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)C1CC[NH+](C3CCCCC3)CC1)C2 ZINC001255216894 1040910894 /nfs/dbraw/zinc/91/08/94/1040910894.db2.gz HZZNXFHTUNGVHI-WKCHPHFGSA-N 2 1 377.573 3.867 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235408606 1040919891 /nfs/dbraw/zinc/91/98/91/1040919891.db2.gz UVZMSEMLQREFEL-PKTZIBPZSA-N 2 1 383.511 3.987 20 0 GHADMP Brc1cnc2[nH]cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235424323 1040926408 /nfs/dbraw/zinc/92/64/08/1040926408.db2.gz GVXMKUBEIIYPJD-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OC(=O)C(C)C ZINC001235428410 1040929841 /nfs/dbraw/zinc/92/98/41/1040929841.db2.gz OIIBDXKYXGDPNE-UXHICEINSA-N 2 1 388.552 3.858 20 0 GHADMP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1I ZINC001235429631 1040931395 /nfs/dbraw/zinc/93/13/95/1040931395.db2.gz BSDZWQJXFSRDRG-IAGOWNOFSA-N 2 1 398.332 3.811 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)oc2c1 ZINC001235431298 1040932474 /nfs/dbraw/zinc/93/24/74/1040932474.db2.gz NJGKNTGMHVZMIK-UONOGXRCSA-N 2 1 378.314 3.802 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348543 1040954821 /nfs/dbraw/zinc/95/48/21/1040954821.db2.gz COTIUJLOSSFSIC-NCYKPQTJSA-N 2 1 388.552 3.889 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001235482707 1040956338 /nfs/dbraw/zinc/95/63/38/1040956338.db2.gz MYURQURVFUKAGB-OAQYLSRUSA-N 3 1 385.577 3.863 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255380978 1040972020 /nfs/dbraw/zinc/97/20/20/1040972020.db2.gz NPEXCGUVVYPBHQ-MYGLTJDJSA-N 2 1 399.579 3.744 20 0 GHADMP CN(CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255380951 1040972403 /nfs/dbraw/zinc/97/24/03/1040972403.db2.gz NGIUEVJPNXXVBX-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(CCC[NH2+]C1CCCCC1)CC2 ZINC001235520035 1040974536 /nfs/dbraw/zinc/97/45/36/1040974536.db2.gz YRAUBVLNDBJIKP-OAQYLSRUSA-N 2 1 389.584 3.647 20 0 GHADMP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001235520035 1040974537 /nfs/dbraw/zinc/97/45/37/1040974537.db2.gz YRAUBVLNDBJIKP-OAQYLSRUSA-N 3 1 389.584 3.647 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001235520035 1040974546 /nfs/dbraw/zinc/97/45/46/1040974546.db2.gz YRAUBVLNDBJIKP-OAQYLSRUSA-N 3 1 389.584 3.647 20 0 GHADMP O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389368 1040977087 /nfs/dbraw/zinc/97/70/87/1040977087.db2.gz LWXYSBRNASIGBE-PZJWPPBQSA-N 2 1 383.923 3.848 20 0 GHADMP O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389368 1040977089 /nfs/dbraw/zinc/97/70/89/1040977089.db2.gz LWXYSBRNASIGBE-PZJWPPBQSA-N 2 1 383.923 3.848 20 0 GHADMP c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccc(N4CC[NH2+]CC4)c2)C3)cc1 ZINC001235533774 1040978245 /nfs/dbraw/zinc/97/82/45/1040978245.db2.gz VJVGGHPDDSTOCL-NOZRDPDXSA-N 2 1 391.559 3.635 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255391709 1040980258 /nfs/dbraw/zinc/98/02/58/1040980258.db2.gz BYLPEMSDTLXBNT-VABKMULXSA-N 2 1 385.596 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255391709 1040980267 /nfs/dbraw/zinc/98/02/67/1040980267.db2.gz BYLPEMSDTLXBNT-VABKMULXSA-N 3 1 385.596 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255391709 1040980269 /nfs/dbraw/zinc/98/02/69/1040980269.db2.gz BYLPEMSDTLXBNT-VABKMULXSA-N 3 1 385.596 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCOCC2)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255391709 1040980271 /nfs/dbraw/zinc/98/02/71/1040980271.db2.gz BYLPEMSDTLXBNT-VABKMULXSA-N 3 1 385.596 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCOCC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391709 1040980273 /nfs/dbraw/zinc/98/02/73/1040980273.db2.gz BYLPEMSDTLXBNT-VABKMULXSA-N 3 1 385.596 3.792 20 0 GHADMP O=C1CCCCN1c1cc(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001255394222 1040981452 /nfs/dbraw/zinc/98/14/52/1040981452.db2.gz YDTJOKKFLPKRFO-QFIPXVFZSA-N 2 1 392.547 3.743 20 0 GHADMP O=C1CCCCN1c1cc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)ccn1 ZINC001255394222 1040981455 /nfs/dbraw/zinc/98/14/55/1040981455.db2.gz YDTJOKKFLPKRFO-QFIPXVFZSA-N 2 1 392.547 3.743 20 0 GHADMP O=C1CCCCN1c1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001255394222 1040981457 /nfs/dbraw/zinc/98/14/57/1040981457.db2.gz YDTJOKKFLPKRFO-QFIPXVFZSA-N 2 1 392.547 3.743 20 0 GHADMP COc1cccc(N2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255399259 1040984620 /nfs/dbraw/zinc/98/46/20/1040984620.db2.gz PQYPTFHURQDIJQ-QFIPXVFZSA-N 2 1 379.548 3.872 20 0 GHADMP COc1cccc(N2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255399259 1040984621 /nfs/dbraw/zinc/98/46/21/1040984621.db2.gz PQYPTFHURQDIJQ-QFIPXVFZSA-N 2 1 379.548 3.872 20 0 GHADMP c1csc(CN2C[C@@H]3C[N@@H+]([C@H]4CCC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)n1 ZINC001255402941 1040990076 /nfs/dbraw/zinc/99/00/76/1040990076.db2.gz PXODZZNYPVDJCY-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2C[C@@H]3C[NH+]([C@H]4CCC[N@H+](Cc5ccccc5)CC4)C[C@@H]3C2)n1 ZINC001255402941 1040990079 /nfs/dbraw/zinc/99/00/79/1040990079.db2.gz PXODZZNYPVDJCY-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP c1csc(CN2C[C@@H]3C[NH+]([C@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@@H]3C2)n1 ZINC001255402941 1040990080 /nfs/dbraw/zinc/99/00/80/1040990080.db2.gz PXODZZNYPVDJCY-BDTNDASRSA-N 2 1 396.604 3.561 20 0 GHADMP CN1c2ccccc2[C@]2(CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404992 1040991998 /nfs/dbraw/zinc/99/19/98/1040991998.db2.gz VFFOXGDZFBVILH-SQJMNOBHSA-N 2 1 389.543 3.661 20 0 GHADMP CN1c2ccccc2[C@]2(CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404992 1040992000 /nfs/dbraw/zinc/99/20/00/1040992000.db2.gz VFFOXGDZFBVILH-SQJMNOBHSA-N 2 1 389.543 3.661 20 0 GHADMP CN1c2ccccc2[C@]2(CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404992 1040992001 /nfs/dbraw/zinc/99/20/01/1040992001.db2.gz VFFOXGDZFBVILH-SQJMNOBHSA-N 2 1 389.543 3.661 20 0 GHADMP CC1(C(=O)N2CCCC2)CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406506 1040993710 /nfs/dbraw/zinc/99/37/10/1040993710.db2.gz SVPSGNCUQLYXHZ-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001255408668 1040994811 /nfs/dbraw/zinc/99/48/11/1040994811.db2.gz AMVIHNUIWGYMCI-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255408668 1040994812 /nfs/dbraw/zinc/99/48/12/1040994812.db2.gz AMVIHNUIWGYMCI-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255408668 1040994814 /nfs/dbraw/zinc/99/48/14/1040994814.db2.gz AMVIHNUIWGYMCI-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255408873 1040996572 /nfs/dbraw/zinc/99/65/72/1040996572.db2.gz DMZJPIVAMGNRJL-HBMCJLEFSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255408873 1040996588 /nfs/dbraw/zinc/99/65/88/1040996588.db2.gz DMZJPIVAMGNRJL-HBMCJLEFSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255408873 1040996589 /nfs/dbraw/zinc/99/65/89/1040996589.db2.gz DMZJPIVAMGNRJL-HBMCJLEFSA-N 2 1 385.552 3.592 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CCC[NH2+]C3CCCCC3)C[C@@H]12 ZINC001235608928 1041024711 /nfs/dbraw/zinc/02/47/11/1041024711.db2.gz JLHMMBJRGYUJLO-RPWUZVMVSA-N 2 1 383.580 3.563 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]12 ZINC001235608928 1041024723 /nfs/dbraw/zinc/02/47/23/1041024723.db2.gz JLHMMBJRGYUJLO-RPWUZVMVSA-N 2 1 383.580 3.563 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn([C@@H]3CCC[N@@H+](C)C3)c3nccc2-3)cc1 ZINC001255473789 1041076308 /nfs/dbraw/zinc/07/63/08/1041076308.db2.gz YTMYUBVSYRBALH-CRAIPNDOSA-N 2 1 377.492 3.527 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)C1 ZINC001255494780 1041088505 /nfs/dbraw/zinc/08/85/05/1041088505.db2.gz VBCIEUQGKFSDHN-HSZRJFAPSA-N 2 1 375.560 3.878 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001235670525 1041125964 /nfs/dbraw/zinc/12/59/64/1041125964.db2.gz UINXZFGZCAJIGZ-DOMZBBRYSA-N 2 1 376.850 3.813 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001255625347 1041178257 /nfs/dbraw/zinc/17/82/57/1041178257.db2.gz QRJBNYIMTZFUSP-DZFGPLHGSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](C3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001255625347 1041178266 /nfs/dbraw/zinc/17/82/66/1041178266.db2.gz QRJBNYIMTZFUSP-DZFGPLHGSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001255625347 1041178274 /nfs/dbraw/zinc/17/82/74/1041178274.db2.gz QRJBNYIMTZFUSP-DZFGPLHGSA-N 2 1 390.593 3.966 20 0 GHADMP Cc1ccc(C[NH+]2CCOC3(CCN(C4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001255679066 1041209918 /nfs/dbraw/zinc/20/99/18/1041209918.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 2 1 397.607 3.677 20 0 GHADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(C4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001255679066 1041209928 /nfs/dbraw/zinc/20/99/28/1041209928.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 2 1 397.607 3.677 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(C4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001255679066 1041209938 /nfs/dbraw/zinc/20/99/38/1041209938.db2.gz QIVMHMLIENSPHL-VSGJHWFKSA-N 2 1 397.607 3.677 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717031 1041244070 /nfs/dbraw/zinc/24/40/70/1041244070.db2.gz PZWQWXLNAUHZMD-ROUUACIJSA-N 2 1 384.490 3.972 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCC[C@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717031 1041244087 /nfs/dbraw/zinc/24/40/87/1041244087.db2.gz PZWQWXLNAUHZMD-ROUUACIJSA-N 2 1 384.490 3.972 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001255872340 1041366186 /nfs/dbraw/zinc/36/61/86/1041366186.db2.gz HSMRDNFFORDJOZ-HXUWFJFHSA-N 2 1 397.538 3.766 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001235846979 1041373065 /nfs/dbraw/zinc/37/30/65/1041373065.db2.gz CDMQJXIHCURWJH-UHFFFAOYSA-N 2 1 384.490 3.925 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@@H+](CCC[NH2+]C2CCCCC2)CC1 ZINC001235846979 1041373083 /nfs/dbraw/zinc/37/30/83/1041373083.db2.gz CDMQJXIHCURWJH-UHFFFAOYSA-N 2 1 384.490 3.925 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)c(Cl)cc3Cl)C[C@H]2CC1 ZINC001278897939 1041428117 /nfs/dbraw/zinc/42/81/17/1041428117.db2.gz YDDUTOFTHOJBSV-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001255958723 1041435882 /nfs/dbraw/zinc/43/58/82/1041435882.db2.gz FFGRJXWYYNAZGG-RCCFBDPRSA-N 2 1 385.568 3.682 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001255959242 1041435912 /nfs/dbraw/zinc/43/59/12/1041435912.db2.gz JZTRRTNXKOJREG-GOSISDBHSA-N 2 1 376.589 3.842 20 0 GHADMP Clc1ccc(Cn2cc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@H]4C3)c3ccccc32)cn1 ZINC001235935780 1041439355 /nfs/dbraw/zinc/43/93/55/1041439355.db2.gz FCYUWFMUEKRVAD-ROUUACIJSA-N 2 1 380.923 3.779 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961773 1041440356 /nfs/dbraw/zinc/44/03/56/1041440356.db2.gz DAKKNTGPHVQMJM-JTHBVZDNSA-N 2 1 387.612 3.862 20 0 GHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(-c3ccc(Br)cc3)s1)C2 ZINC001235958693 1041467246 /nfs/dbraw/zinc/46/72/46/1041467246.db2.gz BNGMKNLUKMDHCM-YWVIFJGQSA-N 2 1 378.339 3.742 20 0 GHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnc(-c3ccc(Br)cc3)s1)C2 ZINC001235958693 1041467251 /nfs/dbraw/zinc/46/72/51/1041467251.db2.gz BNGMKNLUKMDHCM-YWVIFJGQSA-N 2 1 378.339 3.742 20 0 GHADMP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235976770 1041482206 /nfs/dbraw/zinc/48/22/06/1041482206.db2.gz CXDZYMAXJBFIFT-UHFFFAOYSA-N 2 1 376.504 3.655 20 0 GHADMP CCCN(C(=O)NCC[NH+]1CCC[C@H]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001256034208 1041484884 /nfs/dbraw/zinc/48/48/84/1041484884.db2.gz WSGFWYNBTMSPKT-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@@H+]1CCC[C@H]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001256034208 1041484897 /nfs/dbraw/zinc/48/48/97/1041484897.db2.gz WSGFWYNBTMSPKT-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@H+]1CCC[C@H]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001256034208 1041484909 /nfs/dbraw/zinc/48/49/09/1041484909.db2.gz WSGFWYNBTMSPKT-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001256067176 1041504457 /nfs/dbraw/zinc/50/44/57/1041504457.db2.gz DSDSNNRHLIGEDR-XMSQKQJNSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256080134 1041513128 /nfs/dbraw/zinc/51/31/28/1041513128.db2.gz RSUFKUGBEWCTLZ-HXUWFJFHSA-N 2 1 377.573 3.725 20 0 GHADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(Cc3c(Cl)c(Cl)ccc3C(F)(F)F)C2)C1 ZINC001236080067 1041524680 /nfs/dbraw/zinc/52/46/80/1041524680.db2.gz QIQRMVZWEOMNQR-GFCCVEGCSA-N 2 1 396.284 3.867 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236097473 1041532727 /nfs/dbraw/zinc/53/27/27/1041532727.db2.gz KLKXQGMSKTYDIV-CTNGQTDRSA-N 2 1 384.545 3.705 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236099182 1041534548 /nfs/dbraw/zinc/53/45/48/1041534548.db2.gz XGEAVUXDAISHLA-GOTSBHOMSA-N 2 1 378.516 3.644 20 0 GHADMP Brc1ccc(Br)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236319969 1041669934 /nfs/dbraw/zinc/66/99/34/1041669934.db2.gz JBMNQRFNTVDKCR-TXEJJXNPSA-N 2 1 388.147 3.643 20 0 GHADMP COCCCOc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1OC ZINC001236374937 1041687543 /nfs/dbraw/zinc/68/75/43/1041687543.db2.gz GRZUHCGYZRSZQA-FQEVSTJZSA-N 2 1 390.568 3.855 20 0 GHADMP Fc1ccc(C[N@H+](Cc2c[nH]c3ncnc(Cl)c23)CC2CC[NH2+]CC2)cc1 ZINC001236382916 1041691593 /nfs/dbraw/zinc/69/15/93/1041691593.db2.gz QFWSATUFAYVEOP-UHFFFAOYSA-N 2 1 387.890 3.704 20 0 GHADMP COc1ccc2c(c1)n[nH]c2C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385582 1041693167 /nfs/dbraw/zinc/69/31/67/1041693167.db2.gz XBYYVZOQFWLUHP-UHFFFAOYSA-N 2 1 382.483 3.712 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385582 1041693173 /nfs/dbraw/zinc/69/31/73/1041693173.db2.gz XBYYVZOQFWLUHP-UHFFFAOYSA-N 2 1 382.483 3.712 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385582 1041693179 /nfs/dbraw/zinc/69/31/79/1041693179.db2.gz XBYYVZOQFWLUHP-UHFFFAOYSA-N 2 1 382.483 3.712 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[N@@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385587 1041693583 /nfs/dbraw/zinc/69/35/83/1041693583.db2.gz XIWAGAJNDKOQGQ-UHFFFAOYSA-N 2 1 390.934 3.942 20 0 GHADMP CN(C)c1ccnc(Cl)c1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385587 1041693589 /nfs/dbraw/zinc/69/35/89/1041693589.db2.gz XIWAGAJNDKOQGQ-UHFFFAOYSA-N 2 1 390.934 3.942 20 0 GHADMP CC[N@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236409420 1041704518 /nfs/dbraw/zinc/70/45/18/1041704518.db2.gz UQRLZBVLZJOVRW-LBPRGKRZSA-N 2 1 381.236 3.779 20 0 GHADMP COc1ccc(C[N@@H+](C[C@@H](C)Cc2ccc3c(c2)OCO3)C2CC[NH2+]CC2)cc1 ZINC001236439414 1041711968 /nfs/dbraw/zinc/71/19/68/1041711968.db2.gz FMRTWPKLELZWLH-SFHVURJKSA-N 2 1 396.531 3.857 20 0 GHADMP Clc1ccc(C[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C2CC[NH2+]CC2)cc1 ZINC001236454439 1041719560 /nfs/dbraw/zinc/71/95/60/1041719560.db2.gz JTLUOHYQVXLTHU-UHFFFAOYSA-N 3 1 398.982 3.504 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C2CC[NH2+]CC2)cc1 ZINC001236454439 1041719565 /nfs/dbraw/zinc/71/95/65/1041719565.db2.gz JTLUOHYQVXLTHU-UHFFFAOYSA-N 3 1 398.982 3.504 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC001236522744 1041752593 /nfs/dbraw/zinc/75/25/93/1041752593.db2.gz YHFKOLIFTWIUEN-UHFFFAOYSA-N 3 1 399.554 3.829 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC001236522744 1041752598 /nfs/dbraw/zinc/75/25/98/1041752598.db2.gz YHFKOLIFTWIUEN-UHFFFAOYSA-N 3 1 399.554 3.829 20 0 GHADMP COc1ccc(C[N@@H+](Cc2nc3cc(OC)ccc3[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551483 1041759276 /nfs/dbraw/zinc/75/92/76/1041759276.db2.gz FEKSPZHMOIJJNL-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc(C[N@H+](Cc2nc3ccc(OC)cc3[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551483 1041759283 /nfs/dbraw/zinc/75/92/83/1041759283.db2.gz FEKSPZHMOIJJNL-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc(C[N@@H+](Cc2nc3ccc(OC)cc3[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551483 1041759290 /nfs/dbraw/zinc/75/92/90/1041759290.db2.gz FEKSPZHMOIJJNL-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554252 1041760226 /nfs/dbraw/zinc/76/02/26/1041760226.db2.gz YCIGFFIJEQRKAR-WKILWMFISA-N 2 1 397.357 3.948 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236563125 1041764058 /nfs/dbraw/zinc/76/40/58/1041764058.db2.gz QDRDTOQPLAJMSA-MXVIHJGJSA-N 3 1 399.608 3.586 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236564829 1041764880 /nfs/dbraw/zinc/76/48/80/1041764880.db2.gz LVXRSICKTDJZLL-YHBQERECSA-N 2 1 395.547 3.963 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236571710 1041765822 /nfs/dbraw/zinc/76/58/22/1041765822.db2.gz ARODVFHHIOVWIE-JCNLHEQBSA-N 2 1 395.341 3.860 20 0 GHADMP [NH3+]C1CCN([C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)c(Cl)c3)C2)CC1 ZINC001236620392 1041786409 /nfs/dbraw/zinc/78/64/09/1041786409.db2.gz CBAGAKSBTYYJGS-NRFANRHFSA-N 2 1 399.966 3.916 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)Cc2ccccn2)CC1 ZINC001236670998 1041818161 /nfs/dbraw/zinc/81/81/61/1041818161.db2.gz AMLLAXGKUNKITI-JCNLHEQBSA-N 2 1 375.419 3.675 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001236682467 1041828303 /nfs/dbraw/zinc/82/83/03/1041828303.db2.gz UHVNLLILEWTRNV-SOAUALDESA-N 3 1 393.575 3.791 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001236682467 1041828312 /nfs/dbraw/zinc/82/83/12/1041828312.db2.gz UHVNLLILEWTRNV-SOAUALDESA-N 3 1 393.575 3.791 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001236682467 1041828317 /nfs/dbraw/zinc/82/83/17/1041828317.db2.gz UHVNLLILEWTRNV-SOAUALDESA-N 3 1 393.575 3.791 20 0 GHADMP CCOc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001236693840 1041835897 /nfs/dbraw/zinc/83/58/97/1041835897.db2.gz DMJFAWYHGBNBKK-NHCUHLMSSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001236693840 1041835903 /nfs/dbraw/zinc/83/59/03/1041835903.db2.gz DMJFAWYHGBNBKK-NHCUHLMSSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001236693840 1041835907 /nfs/dbraw/zinc/83/59/07/1041835907.db2.gz DMJFAWYHGBNBKK-NHCUHLMSSA-N 2 1 383.511 3.963 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(O)c1)CC2 ZINC001236703649 1041842231 /nfs/dbraw/zinc/84/22/31/1041842231.db2.gz YGKGETJRIYKQLZ-KRWDZBQOSA-N 2 1 390.524 3.848 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2cccc(-n3cncn3)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236741046 1041869083 /nfs/dbraw/zinc/86/90/83/1041869083.db2.gz OSNJNYHPMYFBFE-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP COc1ncc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1Br ZINC001236766066 1041879774 /nfs/dbraw/zinc/87/97/74/1041879774.db2.gz CTJNDQLBCABZJI-SHTZXODSSA-N 2 1 384.362 3.971 20 0 GHADMP COC(=O)c1cc(F)cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001236781239 1041888685 /nfs/dbraw/zinc/88/86/85/1041888685.db2.gz HLEFIBZGOLQPKA-UHFFFAOYSA-N 2 1 384.495 3.956 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC4(CCC(C)(C)O4)CC3)ccc2F)CC1 ZINC001236969644 1041972741 /nfs/dbraw/zinc/97/27/41/1041972741.db2.gz YSEZQOJDCUTFFS-UHFFFAOYSA-N 2 1 375.532 3.501 20 0 GHADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(-c4ccccc4Cl)nc3)CC2)CC1 ZINC001237020139 1041993142 /nfs/dbraw/zinc/99/31/42/1041993142.db2.gz IGCKVVAKMHOSJT-UHFFFAOYSA-N 2 1 384.955 3.614 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237395187 1042188590 /nfs/dbraw/zinc/18/85/90/1042188590.db2.gz XKNMBCLJYHPZEW-TZMCWYRMSA-N 2 1 384.471 3.741 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)s1 ZINC001237395187 1042188591 /nfs/dbraw/zinc/18/85/91/1042188591.db2.gz XKNMBCLJYHPZEW-TZMCWYRMSA-N 2 1 384.471 3.741 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001237410900 1042196321 /nfs/dbraw/zinc/19/63/21/1042196321.db2.gz QDZFLUDADKFSIC-BPUDTRNYSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001237410900 1042196324 /nfs/dbraw/zinc/19/63/24/1042196324.db2.gz QDZFLUDADKFSIC-BPUDTRNYSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001237410900 1042196326 /nfs/dbraw/zinc/19/63/26/1042196326.db2.gz QDZFLUDADKFSIC-BPUDTRNYSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001237410900 1042196329 /nfs/dbraw/zinc/19/63/29/1042196329.db2.gz QDZFLUDADKFSIC-BPUDTRNYSA-N 2 1 392.547 3.773 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OCC4)C[C@H]21 ZINC001237748991 1042351889 /nfs/dbraw/zinc/35/18/89/1042351889.db2.gz HSLWZTJDCHFQRD-UEVCKROQSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCC4)C[C@H]21 ZINC001237748991 1042351895 /nfs/dbraw/zinc/35/18/95/1042351895.db2.gz HSLWZTJDCHFQRD-UEVCKROQSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCC4)C[C@H]21 ZINC001237748991 1042351902 /nfs/dbraw/zinc/35/19/02/1042351902.db2.gz HSLWZTJDCHFQRD-UEVCKROQSA-N 2 1 377.532 3.749 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237889517 1042411758 /nfs/dbraw/zinc/41/17/58/1042411758.db2.gz MWVHHPMKHPRXIT-FQEVSTJZSA-N 2 1 378.520 3.830 20 0 GHADMP Cc1sccc1C[NH+]1CCC2(CN(C(=O)C[NH+](C)C)c3ccc(C)cc32)CC1 ZINC001237965173 1042439223 /nfs/dbraw/zinc/43/92/23/1042439223.db2.gz ATDZGPDZKADUHV-UHFFFAOYSA-N 2 1 397.588 3.807 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cncc(C3CC3)c1)CC2 ZINC001238185395 1042512524 /nfs/dbraw/zinc/51/25/24/1042512524.db2.gz QDDISRJFDWHDOJ-HSZRJFAPSA-N 2 1 392.547 3.610 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(F)c1O ZINC001238365775 1042571144 /nfs/dbraw/zinc/57/11/44/1042571144.db2.gz GOQMMVCAXJMGJF-OALUTQOASA-N 2 1 384.495 3.884 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1O ZINC001238365775 1042571148 /nfs/dbraw/zinc/57/11/48/1042571148.db2.gz GOQMMVCAXJMGJF-OALUTQOASA-N 2 1 384.495 3.884 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1O ZINC001238365775 1042571150 /nfs/dbraw/zinc/57/11/50/1042571150.db2.gz GOQMMVCAXJMGJF-OALUTQOASA-N 2 1 384.495 3.884 20 0 GHADMP CCOc1ncc(Br)cc1C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC001238446373 1042598619 /nfs/dbraw/zinc/59/86/19/1042598619.db2.gz MKNWZIVNPZRJSP-UHFFFAOYSA-N 2 1 396.373 3.797 20 0 GHADMP Fc1ccc(CC[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001278238031 1042609625 /nfs/dbraw/zinc/60/96/25/1042609625.db2.gz VCGPOJVSHISRAN-UHFFFAOYSA-N 2 1 376.907 3.733 20 0 GHADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](CCc3ccc(F)cc3Cl)CC2)C1 ZINC001278238704 1042611499 /nfs/dbraw/zinc/61/14/99/1042611499.db2.gz PTIKZBGDTCZQQM-UHFFFAOYSA-N 2 1 381.967 3.761 20 0 GHADMP C[NH+](C)CCN1CCCC2(CC[NH+](CCc3ccc(F)cc3Cl)CC2)C1 ZINC001278238704 1042611505 /nfs/dbraw/zinc/61/15/05/1042611505.db2.gz PTIKZBGDTCZQQM-UHFFFAOYSA-N 2 1 381.967 3.761 20 0 GHADMP Cc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(C)c1I ZINC001238730983 1042706018 /nfs/dbraw/zinc/70/60/18/1042706018.db2.gz XUDBXUIPCFXBMO-UHFFFAOYSA-N 2 1 386.321 3.682 20 0 GHADMP CN1CC[NH+](C2(c3ccc(-c4ccc(C[N@@H+](C)C5CC5)cn4)cc3)CC2)CC1 ZINC001240579099 1042942653 /nfs/dbraw/zinc/94/26/53/1042942653.db2.gz ITHPGGZUGKUSBL-UHFFFAOYSA-N 2 1 376.548 3.579 20 0 GHADMP C[N@H+](Cc1ccc(-c2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)nc1)C1CC1 ZINC001240579099 1042942655 /nfs/dbraw/zinc/94/26/55/1042942655.db2.gz ITHPGGZUGKUSBL-UHFFFAOYSA-N 2 1 376.548 3.579 20 0 GHADMP C[N@@H+](Cc1ccc(-c2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)nc1)C1CC1 ZINC001240579099 1042942657 /nfs/dbraw/zinc/94/26/57/1042942657.db2.gz ITHPGGZUGKUSBL-UHFFFAOYSA-N 2 1 376.548 3.579 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)CCN1C(=O)OC(C)(C)C ZINC001462672850 1070460638 /nfs/dbraw/zinc/46/06/38/1070460638.db2.gz VWTMGEXCKZNVCN-VNHKHXMHSA-N 2 1 391.600 3.830 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)CCN1C(=O)OC(C)(C)C ZINC001462672850 1070460645 /nfs/dbraw/zinc/46/06/45/1070460645.db2.gz VWTMGEXCKZNVCN-VNHKHXMHSA-N 2 1 391.600 3.830 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)CCN1C(=O)OC(C)(C)C ZINC001462672850 1070460650 /nfs/dbraw/zinc/46/06/50/1070460650.db2.gz VWTMGEXCKZNVCN-VNHKHXMHSA-N 2 1 391.600 3.830 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534539 1043468628 /nfs/dbraw/zinc/46/86/28/1043468628.db2.gz RXOBKBTVKOXPNL-KNQAVFIVSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256534539 1043468638 /nfs/dbraw/zinc/46/86/38/1043468638.db2.gz RXOBKBTVKOXPNL-KNQAVFIVSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@@H]1C[C@H](N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256534585 1043469913 /nfs/dbraw/zinc/46/99/13/1043469913.db2.gz SIPAUUVZYYAUSV-ZHHKINOHSA-N 2 1 379.552 3.606 20 0 GHADMP COc1ccc(CC[N@H+](C[C@H](C)O)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256535710 1043476258 /nfs/dbraw/zinc/47/62/58/1043476258.db2.gz CHPADGQUORVULT-DPLHUUCSSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256535710 1043476269 /nfs/dbraw/zinc/47/62/69/1043476269.db2.gz CHPADGQUORVULT-DPLHUUCSSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256535710 1043476284 /nfs/dbraw/zinc/47/62/84/1043476284.db2.gz CHPADGQUORVULT-DPLHUUCSSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256535710 1043476295 /nfs/dbraw/zinc/47/62/95/1043476295.db2.gz CHPADGQUORVULT-DPLHUUCSSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256538224 1043484203 /nfs/dbraw/zinc/48/42/03/1043484203.db2.gz SCSITSUOUDHDOB-RCZSKKKRSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256538224 1043484222 /nfs/dbraw/zinc/48/42/22/1043484222.db2.gz SCSITSUOUDHDOB-RCZSKKKRSA-N 2 1 380.532 3.889 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ncccc3F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256538620 1043487605 /nfs/dbraw/zinc/48/76/05/1043487605.db2.gz UMKVREJPFBZFNO-PZJWPPBQSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541207 1043490867 /nfs/dbraw/zinc/49/08/67/1043490867.db2.gz IBNKTVNNOARTTK-REWPJTCUSA-N 2 1 395.591 3.907 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541207 1043490881 /nfs/dbraw/zinc/49/08/81/1043490881.db2.gz IBNKTVNNOARTTK-REWPJTCUSA-N 2 1 395.591 3.907 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552418 1043515254 /nfs/dbraw/zinc/51/52/54/1043515254.db2.gz CBSZKVOVAZGUCP-GGAORHGYSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552418 1043515267 /nfs/dbraw/zinc/51/52/67/1043515267.db2.gz CBSZKVOVAZGUCP-GGAORHGYSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552418 1043515270 /nfs/dbraw/zinc/51/52/70/1043515270.db2.gz CBSZKVOVAZGUCP-GGAORHGYSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552418 1043515283 /nfs/dbraw/zinc/51/52/83/1043515283.db2.gz CBSZKVOVAZGUCP-GGAORHGYSA-N 2 1 378.564 3.955 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552315 1043516257 /nfs/dbraw/zinc/51/62/57/1043516257.db2.gz BELPFFUYAJSWCE-ZTCOLXNVSA-N 2 1 385.596 3.615 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552315 1043516265 /nfs/dbraw/zinc/51/62/65/1043516265.db2.gz BELPFFUYAJSWCE-ZTCOLXNVSA-N 2 1 385.596 3.615 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552315 1043516274 /nfs/dbraw/zinc/51/62/74/1043516274.db2.gz BELPFFUYAJSWCE-ZTCOLXNVSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256552954 1043519473 /nfs/dbraw/zinc/51/94/73/1043519473.db2.gz DIFTZPMBSVGZLQ-ZBFHGGJFSA-N 2 1 378.442 3.773 20 0 GHADMP C[C@@H]1C[C@H](N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256553507 1043520778 /nfs/dbraw/zinc/52/07/78/1043520778.db2.gz HWCYAUPEVWHFRU-ZJSXRUAMSA-N 2 1 375.560 3.857 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256558814 1043529409 /nfs/dbraw/zinc/52/94/09/1043529409.db2.gz WDEZGOXTXUVDEV-CTNGQTDRSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256558814 1043529413 /nfs/dbraw/zinc/52/94/13/1043529413.db2.gz WDEZGOXTXUVDEV-CTNGQTDRSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)ncn1 ZINC001256558988 1043532592 /nfs/dbraw/zinc/53/25/92/1043532592.db2.gz XKBRXMREOQMGJG-CTNGQTDRSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)ncn1 ZINC001256558988 1043532600 /nfs/dbraw/zinc/53/26/00/1043532600.db2.gz XKBRXMREOQMGJG-CTNGQTDRSA-N 2 1 380.536 3.681 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC1 ZINC001256572231 1043544464 /nfs/dbraw/zinc/54/44/64/1043544464.db2.gz DOGGAOMQUQDKOF-UHFFFAOYSA-N 2 1 382.527 3.946 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC1 ZINC001256572231 1043544469 /nfs/dbraw/zinc/54/44/69/1043544469.db2.gz DOGGAOMQUQDKOF-UHFFFAOYSA-N 2 1 382.527 3.946 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC001256593976 1043559933 /nfs/dbraw/zinc/55/99/33/1043559933.db2.gz KPAZWOJJOUSCDA-LJQANCHMSA-N 2 1 375.520 3.966 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@]23CCN(C2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001256595544 1043561341 /nfs/dbraw/zinc/56/13/41/1043561341.db2.gz DJAPAKKHFSKWMB-RUZDIDTESA-N 2 1 390.575 3.787 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]23CCN(C2CC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001256595544 1043561348 /nfs/dbraw/zinc/56/13/48/1043561348.db2.gz DJAPAKKHFSKWMB-RUZDIDTESA-N 2 1 390.575 3.787 20 0 GHADMP C[N@@H+](Cc1cccc(F)c1)C1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256597259 1043562039 /nfs/dbraw/zinc/56/20/39/1043562039.db2.gz PUPBPOBLQQVRLX-UHFFFAOYSA-N 2 1 396.554 3.782 20 0 GHADMP CN(CCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001256598171 1043562874 /nfs/dbraw/zinc/56/28/74/1043562874.db2.gz NQSGOLBSDPRJPA-UHFFFAOYSA-N 2 1 375.557 3.888 20 0 GHADMP COc1cccc(C2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCOCC2)c1 ZINC001256601109 1043564114 /nfs/dbraw/zinc/56/41/14/1043564114.db2.gz PZAIMQWHHBJEHR-UHFFFAOYSA-N 2 1 380.532 3.955 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CC[NH+](Cc3ccccc3)CC1)[C@@H]2C ZINC001256606548 1043570280 /nfs/dbraw/zinc/57/02/80/1043570280.db2.gz VTEVISYHUVMOGR-HXUWFJFHSA-N 2 1 395.595 3.765 20 0 GHADMP Cc1nc(CN2CCC3(C[NH+](C4CCN(Cc5ccccc5)CC4)C3)C2)cs1 ZINC001256607899 1043572463 /nfs/dbraw/zinc/57/24/63/1043572463.db2.gz UYDATMATLGUMCV-UHFFFAOYSA-N 2 1 396.604 3.624 20 0 GHADMP c1csc(C[N@H+]2CC[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)CC[C@@H]32)n1 ZINC001256607191 1043572912 /nfs/dbraw/zinc/57/29/12/1043572912.db2.gz KHAMWHOEWJSOLD-UNMCSNQZSA-N 2 1 396.604 3.704 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610846 1043575631 /nfs/dbraw/zinc/57/56/31/1043575631.db2.gz IXSMBCWPKXCQMB-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610846 1043575645 /nfs/dbraw/zinc/57/56/45/1043575645.db2.gz IXSMBCWPKXCQMB-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP COc1cc2cccnc2c(N([C@H](C)CCC[NH3+])C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256615053 1043578641 /nfs/dbraw/zinc/57/86/41/1043578641.db2.gz SMXRXTMOWUWRBH-BLMTVLTRSA-N 2 1 382.552 3.802 20 0 GHADMP CCC[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)C1CCC([NH+]2CCOCC2)CC1 ZINC001256695635 1043626816 /nfs/dbraw/zinc/62/68/16/1043626816.db2.gz HSWLOLUFOLMUKJ-MWXLCCTBSA-N 2 1 387.568 3.677 20 0 GHADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001256887321 1043723561 /nfs/dbraw/zinc/72/35/61/1043723561.db2.gz SHCIDWAZQLHPEW-MRXNPFEDSA-N 2 1 384.490 3.910 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1)c1ccccc1F ZINC001256906415 1043733931 /nfs/dbraw/zinc/73/39/31/1043733931.db2.gz QTZKGIXIPGOQMD-FHWLQOOXSA-N 2 1 387.543 3.863 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1)c1ccccc1F ZINC001256906415 1043733939 /nfs/dbraw/zinc/73/39/39/1043733939.db2.gz QTZKGIXIPGOQMD-FHWLQOOXSA-N 2 1 387.543 3.863 20 0 GHADMP Brc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)ccn1 ZINC001278981182 1043780521 /nfs/dbraw/zinc/78/05/21/1043780521.db2.gz QYSAYVUNSWRVJS-CALCHBBNSA-N 2 1 378.358 3.931 20 0 GHADMP COC(=O)CC1CCC([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001256989392 1043789343 /nfs/dbraw/zinc/78/93/43/1043789343.db2.gz CEELHBSHBGDMLA-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)CC1CCC([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001256989392 1043789353 /nfs/dbraw/zinc/78/93/53/1043789353.db2.gz CEELHBSHBGDMLA-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP CC(C)N1CCC([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001257218056 1043940203 /nfs/dbraw/zinc/94/02/03/1043940203.db2.gz XWMPIELNUDNVBG-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001257218056 1043940215 /nfs/dbraw/zinc/94/02/15/1043940215.db2.gz XWMPIELNUDNVBG-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001293210111 1044064656 /nfs/dbraw/zinc/06/46/56/1044064656.db2.gz JMLSVKFTPVMOEW-NHCUHLMSSA-N 2 1 399.604 3.812 20 0 GHADMP CCCC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001293210111 1044064676 /nfs/dbraw/zinc/06/46/76/1044064676.db2.gz JMLSVKFTPVMOEW-NHCUHLMSSA-N 2 1 399.604 3.812 20 0 GHADMP CCCC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001293210111 1044064696 /nfs/dbraw/zinc/06/46/96/1044064696.db2.gz JMLSVKFTPVMOEW-NHCUHLMSSA-N 2 1 399.604 3.812 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813937 1044194623 /nfs/dbraw/zinc/19/46/23/1044194623.db2.gz CNQMEGUKTGFYNA-BWAGFHJFSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813937 1044194631 /nfs/dbraw/zinc/19/46/31/1044194631.db2.gz CNQMEGUKTGFYNA-BWAGFHJFSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813937 1044194636 /nfs/dbraw/zinc/19/46/36/1044194636.db2.gz CNQMEGUKTGFYNA-BWAGFHJFSA-N 2 1 377.573 3.584 20 0 GHADMP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279050482 1044207611 /nfs/dbraw/zinc/20/76/11/1044207611.db2.gz PJFIQVMCCCBWSX-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279050482 1044207621 /nfs/dbraw/zinc/20/76/21/1044207621.db2.gz PJFIQVMCCCBWSX-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC001257839176 1044214218 /nfs/dbraw/zinc/21/42/18/1044214218.db2.gz YSCMTYDDMOETNZ-JUJYPNOZSA-N 2 1 393.616 3.980 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CC1 ZINC001258012014 1044338332 /nfs/dbraw/zinc/33/83/32/1044338332.db2.gz OXYDZBKWPAEECR-UHFFFAOYSA-N 2 1 389.609 3.797 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258131969 1044416225 /nfs/dbraw/zinc/41/62/25/1044416225.db2.gz UXWWZZUVYXPHGK-GHTZIAJQSA-N 2 1 387.568 3.539 20 0 GHADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001294048731 1044445368 /nfs/dbraw/zinc/44/53/68/1044445368.db2.gz AYAXYRVPYNDXTH-RTWAWAEBSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001294048731 1044445376 /nfs/dbraw/zinc/44/53/76/1044445376.db2.gz AYAXYRVPYNDXTH-RTWAWAEBSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001294048731 1044445381 /nfs/dbraw/zinc/44/53/81/1044445381.db2.gz AYAXYRVPYNDXTH-RTWAWAEBSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001294048731 1044445387 /nfs/dbraw/zinc/44/53/87/1044445387.db2.gz AYAXYRVPYNDXTH-RTWAWAEBSA-N 2 1 375.532 3.513 20 0 GHADMP Fc1cccc(N2CCC([NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)c1 ZINC001258421763 1044555345 /nfs/dbraw/zinc/55/53/45/1044555345.db2.gz JACJOQSOIRTXGT-ROUUACIJSA-N 2 1 385.552 3.920 20 0 GHADMP CCOC(=O)CC[C@@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001258490974 1044579314 /nfs/dbraw/zinc/57/93/14/1044579314.db2.gz DVCZNQXCSLGNDI-MSOLQXFVSA-N 2 1 394.581 3.535 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)C2CCN(c3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC001258545901 1044623491 /nfs/dbraw/zinc/62/34/91/1044623491.db2.gz BRHNGXPXUBVOMB-UHFFFAOYSA-N 2 1 399.970 3.974 20 0 GHADMP C[C@H](Cc1cccnc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001258624137 1044673196 /nfs/dbraw/zinc/67/31/96/1044673196.db2.gz DXPWKOXFNMLTAI-NFBKMPQASA-N 2 1 379.548 3.768 20 0 GHADMP [NH3+]C1(c2ccccc2Cl)CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258641105 1044683808 /nfs/dbraw/zinc/68/38/08/1044683808.db2.gz YCNNOOOUXMEJBP-UHFFFAOYSA-N 2 1 397.950 3.895 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258641247 1044683857 /nfs/dbraw/zinc/68/38/57/1044683857.db2.gz GIAJRKVTVRNORX-YKSBVNFPSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258641247 1044683861 /nfs/dbraw/zinc/68/38/61/1044683861.db2.gz GIAJRKVTVRNORX-YKSBVNFPSA-N 2 1 391.559 3.791 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001258656026 1044694182 /nfs/dbraw/zinc/69/41/82/1044694182.db2.gz LQLXGTPFGJASTL-LWSSLDFYSA-N 2 1 395.595 3.863 20 0 GHADMP CCC[C@H](Cc1ccccc1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001258656026 1044694190 /nfs/dbraw/zinc/69/41/90/1044694190.db2.gz LQLXGTPFGJASTL-LWSSLDFYSA-N 2 1 395.595 3.863 20 0 GHADMP CCC[C@H](Cc1ccccc1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001258656026 1044694197 /nfs/dbraw/zinc/69/41/97/1044694197.db2.gz LQLXGTPFGJASTL-LWSSLDFYSA-N 2 1 395.595 3.863 20 0 GHADMP CCCCC[C@H](CCC)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258670032 1044703201 /nfs/dbraw/zinc/70/32/01/1044703201.db2.gz WPJIEVAHIMHNCZ-FPOVZHCZSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCC[C@H](CCC)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258670032 1044703217 /nfs/dbraw/zinc/70/32/17/1044703217.db2.gz WPJIEVAHIMHNCZ-FPOVZHCZSA-N 2 1 391.604 3.576 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258697727 1044720692 /nfs/dbraw/zinc/72/06/92/1044720692.db2.gz SJJSMVTZMPVZHA-GFOJFJKKSA-N 2 1 375.601 3.608 20 0 GHADMP CCCC[C@@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001258709190 1044725052 /nfs/dbraw/zinc/72/50/52/1044725052.db2.gz GWSQNZTWBSFSHV-VXKWHMMOSA-N 2 1 396.579 3.939 20 0 GHADMP CCC[NH+]1CCC(N2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001258772909 1044756171 /nfs/dbraw/zinc/75/61/71/1044756171.db2.gz BUIUMUZNTCMNTO-HXUWFJFHSA-N 2 1 391.625 3.678 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001258910213 1044862867 /nfs/dbraw/zinc/86/28/67/1044862867.db2.gz OKIKYDZWYBXXMQ-AUSIDOKSSA-N 2 1 389.559 3.761 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)c2ccc(C[NH+]3CCCC3)o2)C[N@H+]1Cc1ccccc1 ZINC001295144500 1044931116 /nfs/dbraw/zinc/93/11/16/1044931116.db2.gz ZOWGGAFFCUPQCA-PZJWPPBQSA-N 2 1 395.547 3.906 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001295962861 1045201453 /nfs/dbraw/zinc/20/14/53/1045201453.db2.gz MGJKIXURGWGUTG-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC001297605264 1045586590 /nfs/dbraw/zinc/58/65/90/1045586590.db2.gz HQGWDIKASGLITD-UYAOXDASSA-N 2 1 377.598 3.601 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC001297605264 1045586604 /nfs/dbraw/zinc/58/66/04/1045586604.db2.gz HQGWDIKASGLITD-UYAOXDASSA-N 2 1 377.598 3.601 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001297605264 1045586612 /nfs/dbraw/zinc/58/66/12/1045586612.db2.gz HQGWDIKASGLITD-UYAOXDASSA-N 2 1 377.598 3.601 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H](C)C[N@@H+]4C3)CC2)cc1 ZINC001298695460 1045921442 /nfs/dbraw/zinc/92/14/42/1045921442.db2.gz CICDDRZZOUQKKW-WTIAFYNJSA-N 2 1 383.580 3.575 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]4C[C@@H](C)C[N@H+]4C3)CC2)cc1 ZINC001298695460 1045921444 /nfs/dbraw/zinc/92/14/44/1045921444.db2.gz CICDDRZZOUQKKW-WTIAFYNJSA-N 2 1 383.580 3.575 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001298763618 1045941683 /nfs/dbraw/zinc/94/16/83/1045941683.db2.gz KTPQIAYJKCYHAN-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC001301866177 1046734357 /nfs/dbraw/zinc/73/43/57/1046734357.db2.gz AFIWGCOUKCMDNH-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP COCc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4scnc4C)(C2)CCC3)o1 ZINC001279306873 1047761834 /nfs/dbraw/zinc/76/18/34/1047761834.db2.gz UVEIZJZHYPLZSR-VQTJNVASSA-N 2 1 375.538 3.916 20 0 GHADMP Fc1cc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)ccc1Cl ZINC001279397358 1047793494 /nfs/dbraw/zinc/79/34/94/1047793494.db2.gz UWMJJEKLVDQKAB-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279412867 1047797836 /nfs/dbraw/zinc/79/78/36/1047797836.db2.gz QVVFURJVENBDCM-UHFFFAOYSA-N 2 1 375.948 3.588 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(Br)c1 ZINC001279418915 1047799056 /nfs/dbraw/zinc/79/90/56/1047799056.db2.gz GDNRAKMCVVPFQE-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279573980 1047844978 /nfs/dbraw/zinc/84/49/78/1047844978.db2.gz MLWTZBXATBHACK-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)CC2 ZINC001279579828 1047850197 /nfs/dbraw/zinc/85/01/97/1047850197.db2.gz PJNGMGXQHTWWLK-FPOVZHCZSA-N 2 1 375.988 3.793 20 0 GHADMP C[NH+](C)CCN1CCC2(C1)CC[NH+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)CC2 ZINC001279579828 1047850213 /nfs/dbraw/zinc/85/02/13/1047850213.db2.gz PJNGMGXQHTWWLK-FPOVZHCZSA-N 2 1 375.988 3.793 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106179 1047905641 /nfs/dbraw/zinc/90/56/41/1047905641.db2.gz FDQLZVAVWKRWBS-VJBWXMMDSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106179 1047905643 /nfs/dbraw/zinc/90/56/43/1047905643.db2.gz FDQLZVAVWKRWBS-VJBWXMMDSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCCC[NH+](C)CC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001305106179 1047905646 /nfs/dbraw/zinc/90/56/46/1047905646.db2.gz FDQLZVAVWKRWBS-VJBWXMMDSA-N 2 1 385.596 3.915 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c(Cl)c1 ZINC001280312813 1048177541 /nfs/dbraw/zinc/17/75/41/1048177541.db2.gz HXLCYBVRCFVOHI-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)c1 ZINC001280312639 1048178085 /nfs/dbraw/zinc/17/80/85/1048178085.db2.gz GDLYNCSOHVEDGS-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)c1 ZINC001280312639 1048178090 /nfs/dbraw/zinc/17/80/90/1048178090.db2.gz GDLYNCSOHVEDGS-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(Cl)s1)C2 ZINC001280312694 1048178461 /nfs/dbraw/zinc/17/84/61/1048178461.db2.gz XJXHTNDQPOZYFM-HGKCTWBKSA-N 2 1 398.016 3.660 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001280317347 1048179566 /nfs/dbraw/zinc/17/95/66/1048179566.db2.gz BKUIENCGYRTKLV-FXAWDEMLSA-N 2 1 394.401 3.640 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4cc(C(C)C)ccc4C3)CC2)CC1 ZINC001305963357 1048339752 /nfs/dbraw/zinc/33/97/52/1048339752.db2.gz JLMFLBNTZFYFCR-UHFFFAOYSA-N 2 1 397.607 3.891 20 0 GHADMP C[N@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307440011 1049277071 /nfs/dbraw/zinc/27/70/71/1049277071.db2.gz KEXBWCBWWWQQDB-CCDWMCETSA-N 2 1 394.559 3.723 20 0 GHADMP C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001307440011 1049277081 /nfs/dbraw/zinc/27/70/81/1049277081.db2.gz KEXBWCBWWWQQDB-CCDWMCETSA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001307440011 1049277090 /nfs/dbraw/zinc/27/70/90/1049277090.db2.gz KEXBWCBWWWQQDB-CCDWMCETSA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C[C@@H]1CCCO[C@H]1c1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001307440011 1049277101 /nfs/dbraw/zinc/27/71/01/1049277101.db2.gz KEXBWCBWWWQQDB-CCDWMCETSA-N 2 1 394.559 3.723 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](c2ccccc2)CC1)c1ccccc1 ZINC001307453821 1049291197 /nfs/dbraw/zinc/29/11/97/1049291197.db2.gz ZAVVQAHDOXSBMI-GMAHTHKFSA-N 2 1 379.548 3.675 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1)c1ccccc1 ZINC001307518533 1049362456 /nfs/dbraw/zinc/36/24/56/1049362456.db2.gz SAFURYOWXODKPZ-NOZRDPDXSA-N 2 1 393.575 3.750 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1)CC1CC1 ZINC001307606890 1049445300 /nfs/dbraw/zinc/44/53/00/1049445300.db2.gz SXFPIKACUXJQDG-JOCHJYFZSA-N 2 1 387.543 3.765 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC001307709012 1049524238 /nfs/dbraw/zinc/52/42/38/1049524238.db2.gz PSABUSCDMZMXTD-DZGCQCFKSA-N 2 1 375.376 3.737 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2csc(Br)c2)[C@@H](C)C1 ZINC001307709012 1049524247 /nfs/dbraw/zinc/52/42/47/1049524247.db2.gz PSABUSCDMZMXTD-DZGCQCFKSA-N 2 1 375.376 3.737 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307883225 1049664050 /nfs/dbraw/zinc/66/40/50/1049664050.db2.gz CMYFBFRYLVRBIR-CHOVIJNXSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307883225 1049664068 /nfs/dbraw/zinc/66/40/68/1049664068.db2.gz CMYFBFRYLVRBIR-CHOVIJNXSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307883225 1049664076 /nfs/dbraw/zinc/66/40/76/1049664076.db2.gz CMYFBFRYLVRBIR-CHOVIJNXSA-N 2 1 393.575 3.877 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955762 1049720303 /nfs/dbraw/zinc/72/03/03/1049720303.db2.gz WMODAHSTGXAIJF-SIKLNZKXSA-N 2 1 387.568 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955762 1049720315 /nfs/dbraw/zinc/72/03/15/1049720315.db2.gz WMODAHSTGXAIJF-SIKLNZKXSA-N 2 1 387.568 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955762 1049720327 /nfs/dbraw/zinc/72/03/27/1049720327.db2.gz WMODAHSTGXAIJF-SIKLNZKXSA-N 2 1 387.568 3.583 20 0 GHADMP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001290253528 1049779252 /nfs/dbraw/zinc/77/92/52/1049779252.db2.gz ZMFHHMYWCONVKH-UHFFFAOYSA-N 2 1 381.564 3.996 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001290253528 1049779264 /nfs/dbraw/zinc/77/92/64/1049779264.db2.gz ZMFHHMYWCONVKH-UHFFFAOYSA-N 2 1 381.564 3.996 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001308167293 1049897192 /nfs/dbraw/zinc/89/71/92/1049897192.db2.gz DNGQTDDOQUTYDH-ZBYYUNFXSA-N 2 1 399.579 3.970 20 0 GHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001308221951 1049918130 /nfs/dbraw/zinc/91/81/30/1049918130.db2.gz FISJPSGHVUXLDC-LCWAXJCOSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001308221951 1049918133 /nfs/dbraw/zinc/91/81/33/1049918133.db2.gz FISJPSGHVUXLDC-LCWAXJCOSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001308245998 1049925036 /nfs/dbraw/zinc/92/50/36/1049925036.db2.gz CCDDMUOFFRHYNK-GZGNHOFSSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001308245998 1049925040 /nfs/dbraw/zinc/92/50/40/1049925040.db2.gz CCDDMUOFFRHYNK-GZGNHOFSSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001308245998 1049925045 /nfs/dbraw/zinc/92/50/45/1049925045.db2.gz CCDDMUOFFRHYNK-GZGNHOFSSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001308245998 1049925049 /nfs/dbraw/zinc/92/50/49/1049925049.db2.gz CCDDMUOFFRHYNK-GZGNHOFSSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001308245998 1049925053 /nfs/dbraw/zinc/92/50/53/1049925053.db2.gz CCDDMUOFFRHYNK-GZGNHOFSSA-N 2 1 377.576 3.976 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cc(Br)ccc3F)CC2)nc(C)[nH+]1 ZINC001308291863 1049940276 /nfs/dbraw/zinc/94/02/76/1049940276.db2.gz FSMLWSZGMCDHMA-UHFFFAOYSA-N 2 1 393.304 3.754 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001308344539 1049954059 /nfs/dbraw/zinc/95/40/59/1049954059.db2.gz NFPDGGJUVAMQHF-NRFANRHFSA-N 2 1 384.568 3.501 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cn(C4CC4)cn3)cc2)C[C@H]1C ZINC001308352509 1049956217 /nfs/dbraw/zinc/95/62/17/1049956217.db2.gz FEJUIQDTFUDGIZ-KDURUIRLSA-N 2 1 382.552 3.517 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001308431522 1049974971 /nfs/dbraw/zinc/97/49/71/1049974971.db2.gz QQIAEPRTZWVEGC-UHFFFAOYSA-N 2 1 382.208 3.988 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601812 1050027685 /nfs/dbraw/zinc/02/76/85/1050027685.db2.gz XGCAEKLOYYLUEE-GJZGRUSLSA-N 2 1 381.483 3.638 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601812 1050027691 /nfs/dbraw/zinc/02/76/91/1050027691.db2.gz XGCAEKLOYYLUEE-GJZGRUSLSA-N 2 1 381.483 3.638 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601812 1050027696 /nfs/dbraw/zinc/02/76/96/1050027696.db2.gz XGCAEKLOYYLUEE-GJZGRUSLSA-N 2 1 381.483 3.638 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601812 1050027701 /nfs/dbraw/zinc/02/77/01/1050027701.db2.gz XGCAEKLOYYLUEE-GJZGRUSLSA-N 2 1 381.483 3.638 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601812 1050027707 /nfs/dbraw/zinc/02/77/07/1050027707.db2.gz XGCAEKLOYYLUEE-GJZGRUSLSA-N 2 1 381.483 3.638 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629242 1050039608 /nfs/dbraw/zinc/03/96/08/1050039608.db2.gz OGZSFQBKJKJFHK-HXUWFJFHSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629242 1050039614 /nfs/dbraw/zinc/03/96/14/1050039614.db2.gz OGZSFQBKJKJFHK-HXUWFJFHSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC001308629242 1050039625 /nfs/dbraw/zinc/03/96/25/1050039625.db2.gz OGZSFQBKJKJFHK-HXUWFJFHSA-N 2 1 387.568 3.745 20 0 GHADMP COC(=O)c1[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1C ZINC001308789490 1050095516 /nfs/dbraw/zinc/09/55/16/1050095516.db2.gz BQZOWPZEVWFXJQ-UHFFFAOYSA-N 2 1 381.520 3.598 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]C[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)CC1 ZINC001308946741 1050207529 /nfs/dbraw/zinc/20/75/29/1050207529.db2.gz VTFRNKZIRVXVEM-SFHVURJKSA-N 2 1 393.494 3.781 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001327879354 1050311756 /nfs/dbraw/zinc/31/17/56/1050311756.db2.gz FMXXHGRCYUOGPX-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP O=C1[C@H]([N@@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC001329500233 1050820801 /nfs/dbraw/zinc/82/08/01/1050820801.db2.gz ZZXHETHHDSLONZ-QGZVFWFLSA-N 2 1 382.335 3.564 20 0 GHADMP O=C1[C@H]([N@H+]2CCCC3(CC[NH2+]CC3)C2)CCN1c1ccc(Cl)cc1Cl ZINC001329500233 1050820822 /nfs/dbraw/zinc/82/08/22/1050820822.db2.gz ZZXHETHHDSLONZ-QGZVFWFLSA-N 2 1 382.335 3.564 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001330236707 1050982981 /nfs/dbraw/zinc/98/29/81/1050982981.db2.gz MOZUZKMQOKAOGP-FXAWDEMLSA-N 2 1 392.613 3.647 20 0 GHADMP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Br ZINC001330583672 1051033653 /nfs/dbraw/zinc/03/36/53/1051033653.db2.gz CUODYDPKPMAXFX-SFHVURJKSA-N 2 1 388.309 3.683 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001310275909 1051265396 /nfs/dbraw/zinc/26/53/96/1051265396.db2.gz CSLFHMZJPOEDBM-HXUWFJFHSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC001333679891 1051805826 /nfs/dbraw/zinc/80/58/26/1051805826.db2.gz NKILKTOYIVBCCK-IYRWYFENSA-N 2 1 383.580 3.973 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC001333679891 1051805836 /nfs/dbraw/zinc/80/58/36/1051805836.db2.gz NKILKTOYIVBCCK-IYRWYFENSA-N 2 1 383.580 3.973 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC001333679891 1051805856 /nfs/dbraw/zinc/80/58/56/1051805856.db2.gz NKILKTOYIVBCCK-IYRWYFENSA-N 2 1 383.580 3.973 20 0 GHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001311076536 1051831106 /nfs/dbraw/zinc/83/11/06/1051831106.db2.gz LMYFMQKLZVOTSY-LJQANCHMSA-N 2 1 381.524 3.524 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001311076536 1051831116 /nfs/dbraw/zinc/83/11/16/1051831116.db2.gz LMYFMQKLZVOTSY-LJQANCHMSA-N 2 1 381.524 3.524 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC001311078670 1051835151 /nfs/dbraw/zinc/83/51/51/1051835151.db2.gz NHKYNMREZCEETE-SFHVURJKSA-N 2 1 395.551 3.697 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccnc(C[NH+](C)C)c2)C1 ZINC001311078670 1051835160 /nfs/dbraw/zinc/83/51/60/1051835160.db2.gz NHKYNMREZCEETE-SFHVURJKSA-N 2 1 395.551 3.697 20 0 GHADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001311358073 1052056312 /nfs/dbraw/zinc/05/63/12/1052056312.db2.gz KCGLWLZEGVAQIS-WOJBJXKFSA-N 2 1 388.600 3.694 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001311499113 1052205496 /nfs/dbraw/zinc/20/54/96/1052205496.db2.gz WZVBULIGXOFHPZ-OIBXWCBGSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001311499113 1052205505 /nfs/dbraw/zinc/20/55/05/1052205505.db2.gz WZVBULIGXOFHPZ-OIBXWCBGSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001311499113 1052205516 /nfs/dbraw/zinc/20/55/16/1052205516.db2.gz WZVBULIGXOFHPZ-OIBXWCBGSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001311952493 1052496035 /nfs/dbraw/zinc/49/60/35/1052496035.db2.gz HKJBTGUPIRDBCZ-LJQANCHMSA-N 2 1 376.589 3.563 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)[NH+](C)C ZINC001312658726 1052828878 /nfs/dbraw/zinc/82/88/78/1052828878.db2.gz GQAVNTAECDNQSY-RXOYHEDQSA-N 2 1 398.595 3.504 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)[NH+](C)C ZINC001312658723 1052828959 /nfs/dbraw/zinc/82/89/59/1052828959.db2.gz GQAVNTAECDNQSY-MHHVOYGZSA-N 2 1 398.595 3.504 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001343394304 1053746582 /nfs/dbraw/zinc/74/65/82/1053746582.db2.gz LRDWVOBXLPXTSB-FCHUYYIVSA-N 2 1 383.580 3.575 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319201793 1055093092 /nfs/dbraw/zinc/09/30/92/1055093092.db2.gz WGVIOKJFZCOMLV-KBRIMQKVSA-N 2 1 387.446 3.765 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)cc2)C1 ZINC001320814226 1055972328 /nfs/dbraw/zinc/97/23/28/1055972328.db2.gz MUPKRVMIKRXYQM-QGZVFWFLSA-N 2 1 375.476 3.752 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccn(-c4cc[nH+]cc4)n3)cc2)C1 ZINC001320814226 1055972333 /nfs/dbraw/zinc/97/23/33/1055972333.db2.gz MUPKRVMIKRXYQM-QGZVFWFLSA-N 2 1 375.476 3.752 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001321170131 1056133913 /nfs/dbraw/zinc/13/39/13/1056133913.db2.gz NSWZNTDBDJKNLR-SFHVURJKSA-N 2 1 389.503 3.572 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001354031806 1056264195 /nfs/dbraw/zinc/26/41/95/1056264195.db2.gz NDTOCBAXNRJEAD-JOCHJYFZSA-N 2 1 383.580 3.814 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC001322226408 1056582004 /nfs/dbraw/zinc/58/20/04/1056582004.db2.gz RUEDDKXDNCUNIA-RTBURBONSA-N 2 1 397.485 3.785 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC001322226408 1056582019 /nfs/dbraw/zinc/58/20/19/1056582019.db2.gz RUEDDKXDNCUNIA-RTBURBONSA-N 2 1 397.485 3.785 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[NH+]1CCCCC1 ZINC001322508759 1056735078 /nfs/dbraw/zinc/73/50/78/1056735078.db2.gz FTNAMWVQGIZFNU-QFIPXVFZSA-N 2 1 397.567 3.998 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC001322549296 1056750960 /nfs/dbraw/zinc/75/09/60/1056750960.db2.gz NPTJQJNRMLRKPA-GOTSBHOMSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1 ZINC001322549296 1056750966 /nfs/dbraw/zinc/75/09/66/1056750966.db2.gz NPTJQJNRMLRKPA-GOTSBHOMSA-N 2 1 394.563 3.635 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001200714524 1056797229 /nfs/dbraw/zinc/79/72/29/1056797229.db2.gz KOMGZCVKPPDTLX-BTYIYWSLSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001200714524 1056797240 /nfs/dbraw/zinc/79/72/40/1056797240.db2.gz KOMGZCVKPPDTLX-BTYIYWSLSA-N 2 1 390.549 3.947 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 ZINC001355211203 1057083975 /nfs/dbraw/zinc/08/39/75/1057083975.db2.gz LYZFDBPCEVCACJ-IHWYPQMZSA-N 2 1 396.438 3.566 20 0 GHADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001325149988 1057281007 /nfs/dbraw/zinc/28/10/07/1057281007.db2.gz GVZMSGVIAXFTAV-UWJYYQICSA-N 2 1 376.504 3.940 20 0 GHADMP CCN(Cc1ccc(/C=C/C(=O)OC)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848889045 1057398625 /nfs/dbraw/zinc/39/86/25/1057398625.db2.gz GLYWRKQRTFSGMO-YVNCXZRQSA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@@H+](Cc1ccc(/C=C/C(=O)OC)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848889045 1057398630 /nfs/dbraw/zinc/39/86/30/1057398630.db2.gz GLYWRKQRTFSGMO-YVNCXZRQSA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@H+](Cc1ccc(/C=C/C(=O)OC)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848889045 1057398635 /nfs/dbraw/zinc/39/86/35/1057398635.db2.gz GLYWRKQRTFSGMO-YVNCXZRQSA-N 2 1 382.504 3.810 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000848990081 1057494935 /nfs/dbraw/zinc/49/49/35/1057494935.db2.gz XLWDGRHMVCLMQA-PKOBYXMFSA-N 2 1 396.535 3.941 20 0 GHADMP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)Cc1ccccc1 ZINC000849083747 1057585952 /nfs/dbraw/zinc/58/59/52/1057585952.db2.gz HDSKAHDWELLERN-MRXNPFEDSA-N 2 1 380.414 3.694 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC001441234025 1058730310 /nfs/dbraw/zinc/73/03/10/1058730310.db2.gz BNUFHKIOPJNFSU-NRFANRHFSA-N 2 1 385.939 3.855 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC001441354509 1058759368 /nfs/dbraw/zinc/75/93/68/1058759368.db2.gz LKBVWSWTOUTBKO-IBGZPJMESA-N 2 1 383.580 3.799 20 0 GHADMP C[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001441533665 1058809582 /nfs/dbraw/zinc/80/95/82/1058809582.db2.gz XDLYBCLNKCCQIT-PCCBWWKXSA-N 2 1 385.596 3.709 20 0 GHADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001442350315 1058951039 /nfs/dbraw/zinc/95/10/39/1058951039.db2.gz GDPHTDVGNKICHM-FQEVSTJZSA-N 2 1 398.378 3.760 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC001443266604 1059094622 /nfs/dbraw/zinc/09/46/22/1059094622.db2.gz NBGCDCRHUCLBEU-UHFFFAOYSA-N 2 1 399.501 3.906 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001446192025 1059725038 /nfs/dbraw/zinc/72/50/38/1059725038.db2.gz FMXPALIECLOXIO-PKTZIBPZSA-N 2 1 395.522 3.987 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001446192025 1059725058 /nfs/dbraw/zinc/72/50/58/1059725058.db2.gz FMXPALIECLOXIO-PKTZIBPZSA-N 2 1 395.522 3.987 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001447624613 1059989905 /nfs/dbraw/zinc/98/99/05/1059989905.db2.gz XGZRSQFYFLIGDB-RBBKRZOGSA-N 2 1 383.580 3.669 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)C1CC2(C1)C[C@@H]([NH3+])CCO2)C1CCCCC1 ZINC001340773776 1060114897 /nfs/dbraw/zinc/11/48/97/1060114897.db2.gz KNVCNFVOJXLGMW-KPRXVCGWSA-N 2 1 385.552 3.676 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC001452977178 1061055624 /nfs/dbraw/zinc/05/56/24/1061055624.db2.gz RMFPJRFPNVILQA-JOCHJYFZSA-N 2 1 390.531 3.680 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCc3ccc(F)cc3F)CC2)CC1 ZINC001342181684 1061111904 /nfs/dbraw/zinc/11/19/04/1061111904.db2.gz XNEWEXNGBKWBOF-UHFFFAOYSA-N 2 1 379.539 3.635 20 0 GHADMP C[N@@H+](CCc1ccc(F)cc1F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001342181684 1061111915 /nfs/dbraw/zinc/11/19/15/1061111915.db2.gz XNEWEXNGBKWBOF-UHFFFAOYSA-N 3 1 379.539 3.635 20 0 GHADMP C[N@H+](CCc1ccc(F)cc1F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001342181684 1061111978 /nfs/dbraw/zinc/11/19/78/1061111978.db2.gz XNEWEXNGBKWBOF-UHFFFAOYSA-N 3 1 379.539 3.635 20 0 GHADMP C[N@@H+](CC(=O)N[C@]1(C)C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCC1 ZINC001456551876 1062746954 /nfs/dbraw/zinc/74/69/54/1062746954.db2.gz RDMTWSSEKADYJP-UKILVPOCSA-N 2 1 391.559 3.645 20 0 GHADMP C[NH+](CC(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCC1 ZINC001456551876 1062746969 /nfs/dbraw/zinc/74/69/69/1062746969.db2.gz RDMTWSSEKADYJP-UKILVPOCSA-N 2 1 391.559 3.645 20 0 GHADMP C[NH+](CC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)C1CCC1 ZINC001456551876 1062746989 /nfs/dbraw/zinc/74/69/89/1062746989.db2.gz RDMTWSSEKADYJP-UKILVPOCSA-N 2 1 391.559 3.645 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC001456893640 1062909573 /nfs/dbraw/zinc/90/95/73/1062909573.db2.gz KUGOSIVHEHFRIT-UXHICEINSA-N 2 1 389.584 3.646 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001435779195 1062924595 /nfs/dbraw/zinc/92/45/95/1062924595.db2.gz SYRNCSFQDRTDIK-UHFFFAOYSA-N 2 1 383.536 3.906 20 0 GHADMP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001457519367 1063222062 /nfs/dbraw/zinc/22/20/62/1063222062.db2.gz VIMIZLDLWKZODQ-HSZRJFAPSA-N 2 1 377.532 3.660 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccco1 ZINC001457810350 1063378226 /nfs/dbraw/zinc/37/82/26/1063378226.db2.gz CEQQKLDEACAZOQ-UCLAIMLFSA-N 2 1 377.916 3.781 20 0 GHADMP CC(C)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC001459305981 1064054529 /nfs/dbraw/zinc/05/45/29/1064054529.db2.gz HOUVNUKVIUVMIM-FQEVSTJZSA-N 2 1 379.976 3.960 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC001459422589 1064095075 /nfs/dbraw/zinc/09/50/75/1064095075.db2.gz BLDGBRGVUGBRMD-JOCHJYFZSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC001459622566 1064147054 /nfs/dbraw/zinc/14/70/54/1064147054.db2.gz KIVVPIQHUGWHGI-JWQCQUIFSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001459622566 1064147059 /nfs/dbraw/zinc/14/70/59/1064147059.db2.gz KIVVPIQHUGWHGI-JWQCQUIFSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001459622566 1064147062 /nfs/dbraw/zinc/14/70/62/1064147062.db2.gz KIVVPIQHUGWHGI-JWQCQUIFSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001459622566 1064147066 /nfs/dbraw/zinc/14/70/66/1064147066.db2.gz KIVVPIQHUGWHGI-JWQCQUIFSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@@]1(CCc2ccccc2)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001459622566 1064147073 /nfs/dbraw/zinc/14/70/73/1064147073.db2.gz KIVVPIQHUGWHGI-JWQCQUIFSA-N 2 1 378.560 3.968 20 0 GHADMP CC(C)(C)OC(=O)N(CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC001459783917 1064215996 /nfs/dbraw/zinc/21/59/96/1064215996.db2.gz BWJLQZGDKNJYAV-YLJYHZDGSA-N 2 1 377.573 3.725 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCC[C@@H]1C ZINC001459956113 1064301883 /nfs/dbraw/zinc/30/18/83/1064301883.db2.gz WSXILLGEGWABOS-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H]1CCCC[C@@H]1C ZINC001459956113 1064301899 /nfs/dbraw/zinc/30/18/99/1064301899.db2.gz WSXILLGEGWABOS-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H]1CCCC[C@@H]1C ZINC001459956113 1064301928 /nfs/dbraw/zinc/30/19/28/1064301928.db2.gz WSXILLGEGWABOS-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCC(C)(C)C[C@H]3C)CC2)cc1 ZINC001459999540 1064332820 /nfs/dbraw/zinc/33/28/20/1064332820.db2.gz VDJXUVZNXNNQBC-IFMALSPDSA-N 2 1 385.596 3.834 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[NH+]3C[C@H](C)C[C@H](C)C3)C[N@H+]2C1 ZINC001464204165 1064906547 /nfs/dbraw/zinc/90/65/47/1064906547.db2.gz QCDXYAVQTNXZDQ-FRXMWESWSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@H+]3C[C@H](C)C[C@H](C)C3)C[NH+]2C1 ZINC001464204165 1064906553 /nfs/dbraw/zinc/90/65/53/1064906553.db2.gz QCDXYAVQTNXZDQ-FRXMWESWSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C[NH+]2C1 ZINC001464204165 1064906559 /nfs/dbraw/zinc/90/65/59/1064906559.db2.gz QCDXYAVQTNXZDQ-FRXMWESWSA-N 2 1 397.607 3.901 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001464544657 1065072909 /nfs/dbraw/zinc/07/29/09/1065072909.db2.gz KCHYHKNNJIXIDO-HSZRJFAPSA-N 2 1 383.580 3.766 20 0 GHADMP CC[N@@H+]1CC[C@H]1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001464778529 1065206253 /nfs/dbraw/zinc/20/62/53/1065206253.db2.gz LMUVMGLWCVBXNA-QFIPXVFZSA-N 2 1 379.548 3.651 20 0 GHADMP CC[N@H+]1CC[C@H]1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001464778529 1065206259 /nfs/dbraw/zinc/20/62/59/1065206259.db2.gz LMUVMGLWCVBXNA-QFIPXVFZSA-N 2 1 379.548 3.651 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847398864 1065215454 /nfs/dbraw/zinc/21/54/54/1065215454.db2.gz AYSOZADJEKBWBD-JOCHJYFZSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@H](C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)[N@H+]1CCc2ccccc2C1 ZINC001465801624 1065866872 /nfs/dbraw/zinc/86/68/72/1065866872.db2.gz AWTQQIFKHRKQMA-SFTDATJTSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[NH+]1CCc2ccccc2C1 ZINC001465801624 1065866895 /nfs/dbraw/zinc/86/68/95/1065866895.db2.gz AWTQQIFKHRKQMA-SFTDATJTSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+]1CCc2ccccc2C1 ZINC001465801624 1065866904 /nfs/dbraw/zinc/86/69/04/1065866904.db2.gz AWTQQIFKHRKQMA-SFTDATJTSA-N 2 1 397.607 3.936 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC001467340699 1067237516 /nfs/dbraw/zinc/23/75/16/1067237516.db2.gz RSAHFEOEPVJQET-QHCPKHFHSA-N 2 1 390.531 3.688 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001467374059 1067260529 /nfs/dbraw/zinc/26/05/29/1067260529.db2.gz XYZASJDUBAADGF-KDURUIRLSA-N 2 1 387.572 3.952 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC001467374059 1067260539 /nfs/dbraw/zinc/26/05/39/1067260539.db2.gz XYZASJDUBAADGF-KDURUIRLSA-N 2 1 387.572 3.952 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[NH+]2CCCC2)cc1 ZINC001477673321 1078519900 /nfs/dbraw/zinc/51/99/00/1078519900.db2.gz DKAUJESZSGKXDZ-GMAHTHKFSA-N 2 1 398.595 3.553 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC001477674690 1078521051 /nfs/dbraw/zinc/52/10/51/1078521051.db2.gz QQEHIBHAGHQTSM-JOCHJYFZSA-N 2 1 386.584 3.696 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001467747043 1067449603 /nfs/dbraw/zinc/44/96/03/1067449603.db2.gz YMWONKPLESKMSW-OYRHEFFESA-N 2 1 394.648 3.802 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC001467766375 1067459074 /nfs/dbraw/zinc/45/90/74/1067459074.db2.gz GEIUEPNDCJVARU-YADHBBJMSA-N 2 1 388.600 3.831 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001467859575 1067502156 /nfs/dbraw/zinc/50/21/56/1067502156.db2.gz OPEGNULRWIVGFN-HXUWFJFHSA-N 2 1 388.600 3.838 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001468346254 1067695944 /nfs/dbraw/zinc/69/59/44/1067695944.db2.gz AUWHQNWAUNIULH-JTHBVZDNSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001468346254 1067695945 /nfs/dbraw/zinc/69/59/45/1067695945.db2.gz AUWHQNWAUNIULH-JTHBVZDNSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001468346254 1067695948 /nfs/dbraw/zinc/69/59/48/1067695948.db2.gz AUWHQNWAUNIULH-JTHBVZDNSA-N 2 1 398.595 3.605 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001468351929 1067699007 /nfs/dbraw/zinc/69/90/07/1067699007.db2.gz SHXYHAZXKYPHKX-TZIWHRDSSA-N 2 1 388.600 3.798 20 0 GHADMP CC[N@@H+](CCNC(=O)N1CC[NH+](Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001468464328 1067741517 /nfs/dbraw/zinc/74/15/17/1067741517.db2.gz FIHQYRJSUJKFRL-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP CC[NH+](CCNC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001468464328 1067741519 /nfs/dbraw/zinc/74/15/19/1067741519.db2.gz FIHQYRJSUJKFRL-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP CC[NH+](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1)C1CC1 ZINC001468464328 1067741522 /nfs/dbraw/zinc/74/15/22/1067741522.db2.gz FIHQYRJSUJKFRL-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000849275876 1067784249 /nfs/dbraw/zinc/78/42/49/1067784249.db2.gz YHHQRTHGUPNFLW-LBPRGKRZSA-N 2 1 377.385 3.552 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000849275876 1067784253 /nfs/dbraw/zinc/78/42/53/1067784253.db2.gz YHHQRTHGUPNFLW-LBPRGKRZSA-N 2 1 377.385 3.552 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC1)CC(C)C ZINC001468609918 1067789632 /nfs/dbraw/zinc/78/96/32/1067789632.db2.gz HWTNDUZXPORTTR-LEWJYISDSA-N 2 1 380.621 3.649 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC001468630776 1067798392 /nfs/dbraw/zinc/79/83/92/1067798392.db2.gz NQIHORSLPPXHNQ-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001468630776 1067798399 /nfs/dbraw/zinc/79/83/99/1067798399.db2.gz NQIHORSLPPXHNQ-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001468630776 1067798404 /nfs/dbraw/zinc/79/84/04/1067798404.db2.gz NQIHORSLPPXHNQ-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC001477868232 1078603308 /nfs/dbraw/zinc/60/33/08/1078603308.db2.gz YHVUIPDLGZNYKO-HXUWFJFHSA-N 2 1 380.621 3.842 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)CC1 ZINC001468797906 1067888176 /nfs/dbraw/zinc/88/81/76/1067888176.db2.gz YWMZRAGKQWDJHS-XUVXKRRUSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCCC1)c1ccccc1 ZINC001468830558 1067903596 /nfs/dbraw/zinc/90/35/96/1067903596.db2.gz JODRECFNSBXXEJ-REWPJTCUSA-N 2 1 398.595 3.777 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC001468842954 1067907102 /nfs/dbraw/zinc/90/71/02/1067907102.db2.gz WCEFCTRYPNXIGO-MBSDFSHPSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC001468842954 1067907104 /nfs/dbraw/zinc/90/71/04/1067907104.db2.gz WCEFCTRYPNXIGO-MBSDFSHPSA-N 2 1 392.547 3.698 20 0 GHADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001468909724 1067925077 /nfs/dbraw/zinc/92/50/77/1067925077.db2.gz WDGLYXORMLMCQO-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001468909724 1067925081 /nfs/dbraw/zinc/92/50/81/1067925081.db2.gz WDGLYXORMLMCQO-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001468909724 1067925084 /nfs/dbraw/zinc/92/50/84/1067925084.db2.gz WDGLYXORMLMCQO-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001468909724 1067925086 /nfs/dbraw/zinc/92/50/86/1067925086.db2.gz WDGLYXORMLMCQO-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC001469136241 1067991093 /nfs/dbraw/zinc/99/10/93/1067991093.db2.gz PKVSRYDSEHJKNI-JOCHJYFZSA-N 2 1 398.595 3.666 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)CC2 ZINC001460606000 1069023389 /nfs/dbraw/zinc/02/33/89/1069023389.db2.gz PXOYNBAQEOHYFP-SFHVURJKSA-N 2 1 396.362 3.907 20 0 GHADMP CC(C)C[N@H+](CC(=O)N(C)c1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC001460669573 1069074235 /nfs/dbraw/zinc/07/42/35/1069074235.db2.gz BPVWGIHCCDFTTF-UHFFFAOYSA-N 2 1 388.581 3.559 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C3CCCC3)C2)CC1 ZINC001460954613 1069295339 /nfs/dbraw/zinc/29/53/39/1069295339.db2.gz ZXUKSHLWWNRPQH-QHCPKHFHSA-N 2 1 397.607 3.978 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001470427421 1072546898 /nfs/dbraw/zinc/54/68/98/1072546898.db2.gz YGMPQLFNVCLTSJ-YADHBBJMSA-N 2 1 388.600 3.564 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1C[C@H](C)[NH+](CC)C[C@@H]1C)Cc1ccccc1 ZINC001470719183 1072704298 /nfs/dbraw/zinc/70/42/98/1072704298.db2.gz ULNXGZCSIOPOOM-SFTDATJTSA-N 2 1 388.600 3.803 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C)Cc1ccccc1 ZINC001470719183 1072704304 /nfs/dbraw/zinc/70/43/04/1072704304.db2.gz ULNXGZCSIOPOOM-SFTDATJTSA-N 2 1 388.600 3.803 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)Cc1ccccc1 ZINC001470719183 1072704311 /nfs/dbraw/zinc/70/43/11/1072704311.db2.gz ULNXGZCSIOPOOM-SFTDATJTSA-N 2 1 388.600 3.803 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001470785170 1072739117 /nfs/dbraw/zinc/73/91/17/1072739117.db2.gz YCJYFBYDTVUOCS-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001470785170 1072739127 /nfs/dbraw/zinc/73/91/27/1072739127.db2.gz YCJYFBYDTVUOCS-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001470785170 1072739132 /nfs/dbraw/zinc/73/91/32/1072739132.db2.gz YCJYFBYDTVUOCS-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@H](C)[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001478716451 1078965454 /nfs/dbraw/zinc/96/54/54/1078965454.db2.gz YKTVQMBGHLGNBV-ZSJMHYJMSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC001478734333 1078970069 /nfs/dbraw/zinc/97/00/69/1078970069.db2.gz AWJDZKGNAAGZDD-FGZHOGPDSA-N 2 1 388.600 3.758 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)[NH+](CC)CC)cc1 ZINC001478733936 1078970200 /nfs/dbraw/zinc/97/02/00/1078970200.db2.gz ARTOAZWPCWTSEG-FKBYEOEOSA-N 2 1 386.584 3.510 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001471216763 1072970482 /nfs/dbraw/zinc/97/04/82/1072970482.db2.gz XTNVQFQIRXWGIN-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001471216763 1072970486 /nfs/dbraw/zinc/97/04/86/1072970486.db2.gz XTNVQFQIRXWGIN-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001471216763 1072970491 /nfs/dbraw/zinc/97/04/91/1072970491.db2.gz XTNVQFQIRXWGIN-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001472471530 1073502006 /nfs/dbraw/zinc/50/20/06/1073502006.db2.gz PUUZTAUNWIALQM-JOCHJYFZSA-N 2 1 379.548 3.749 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145179 1073807411 /nfs/dbraw/zinc/80/74/11/1073807411.db2.gz DWIZLLRBRZDAFR-ISKFKSNPSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145179 1073807423 /nfs/dbraw/zinc/80/74/23/1073807423.db2.gz DWIZLLRBRZDAFR-ISKFKSNPSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145179 1073807432 /nfs/dbraw/zinc/80/74/32/1073807432.db2.gz DWIZLLRBRZDAFR-ISKFKSNPSA-N 2 1 393.575 3.880 20 0 GHADMP CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156121 1073814622 /nfs/dbraw/zinc/81/46/22/1073814622.db2.gz PNHJQUVLFJHIQP-TZIWHRDSSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@@H](C)[C@@H](C)[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156121 1073814638 /nfs/dbraw/zinc/81/46/38/1073814638.db2.gz PNHJQUVLFJHIQP-TZIWHRDSSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@@H](C)[C@@H](C)[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156121 1073814645 /nfs/dbraw/zinc/81/46/45/1073814645.db2.gz PNHJQUVLFJHIQP-TZIWHRDSSA-N 2 1 385.596 3.928 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569398 1074022007 /nfs/dbraw/zinc/02/20/07/1074022007.db2.gz LRDPKPSMULVUBC-ZEQRLZLVSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569398 1074022015 /nfs/dbraw/zinc/02/20/15/1074022015.db2.gz LRDPKPSMULVUBC-ZEQRLZLVSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCC[C@H](n2ccnn2)C1)c1ccccc1 ZINC001473569398 1074022025 /nfs/dbraw/zinc/02/20/25/1074022025.db2.gz LRDPKPSMULVUBC-ZEQRLZLVSA-N 2 1 389.547 3.831 20 0 GHADMP Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC001473686806 1074086912 /nfs/dbraw/zinc/08/69/12/1074086912.db2.gz KXWNGFVGSMHQPB-UKILVPOCSA-N 2 1 393.575 3.811 20 0 GHADMP C[C@@]12C[NH+](CCC(=O)NCC3CCCCC3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001473717919 1074105361 /nfs/dbraw/zinc/10/53/61/1074105361.db2.gz CECRZENPDBNWCK-DQEYMECFSA-N 2 1 397.607 3.917 20 0 GHADMP CCOC(=O)c1sc(CC2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1C ZINC001473757984 1074126914 /nfs/dbraw/zinc/12/69/14/1074126914.db2.gz KFVCYCGXBADYKO-UHFFFAOYSA-N 2 1 393.597 3.759 20 0 GHADMP c1ccc(CN2CCC[N@@H+](Cc3cccc4cccnc43)CCOCC2)cc1 ZINC001473830422 1074163524 /nfs/dbraw/zinc/16/35/24/1074163524.db2.gz WUYFYIGLUZOBHR-UHFFFAOYSA-N 2 1 375.516 3.959 20 0 GHADMP c1ccc(C[N@H+]2CCCN(Cc3cccc4cccnc43)CCOCC2)cc1 ZINC001473830422 1074163527 /nfs/dbraw/zinc/16/35/27/1074163527.db2.gz WUYFYIGLUZOBHR-UHFFFAOYSA-N 2 1 375.516 3.959 20 0 GHADMP c1ccc(C[N@@H+]2CCCN(Cc3cccc4cccnc43)CCOCC2)cc1 ZINC001473830422 1074163530 /nfs/dbraw/zinc/16/35/30/1074163530.db2.gz WUYFYIGLUZOBHR-UHFFFAOYSA-N 2 1 375.516 3.959 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](C3CCCC3)C2)CC1 ZINC001473886709 1074191311 /nfs/dbraw/zinc/19/13/11/1074191311.db2.gz HMTSUVIDKYCIQY-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C3CCCC3)C2)CC1 ZINC001473886709 1074191315 /nfs/dbraw/zinc/19/13/15/1074191315.db2.gz HMTSUVIDKYCIQY-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H](C3CCCC3)C2)CC1 ZINC001473886709 1074191318 /nfs/dbraw/zinc/19/13/18/1074191318.db2.gz HMTSUVIDKYCIQY-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC001473965411 1074220186 /nfs/dbraw/zinc/22/01/86/1074220186.db2.gz MAFAACNILHHVDC-HXUWFJFHSA-N 2 1 383.536 3.810 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC001474084796 1074259088 /nfs/dbraw/zinc/25/90/88/1074259088.db2.gz UCHXPXJUEWCQKG-HUVFLSCGSA-N 2 1 386.580 3.718 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC001474377268 1074373143 /nfs/dbraw/zinc/37/31/43/1074373143.db2.gz ZYGBZDLMSULFEK-UHFFFAOYSA-N 2 1 387.955 3.911 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001474572763 1074468321 /nfs/dbraw/zinc/46/83/21/1074468321.db2.gz QKIMAAGBAVTERH-LJQANCHMSA-N 2 1 396.531 3.874 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1Oc1ccccc1 ZINC001475921011 1075050008 /nfs/dbraw/zinc/05/00/08/1075050008.db2.gz JJUXIEABUKLMFO-SFHVURJKSA-N 2 1 384.524 3.872 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1Oc1ccccc1 ZINC001475921011 1075050013 /nfs/dbraw/zinc/05/00/13/1075050013.db2.gz JJUXIEABUKLMFO-SFHVURJKSA-N 2 1 384.524 3.872 20 0 GHADMP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)[NH+](C)C ZINC001496633599 1079476605 /nfs/dbraw/zinc/47/66/05/1079476605.db2.gz YLNSKIBRZSPUFP-BJLQDIEVSA-N 2 1 392.636 3.687 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000359894371 209200370 /nfs/dbraw/zinc/20/03/70/209200370.db2.gz FYQHZBXARMCYSK-UGKGYDQZSA-N 2 1 385.596 3.914 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821255293 606082636 /nfs/dbraw/zinc/08/26/36/606082636.db2.gz XNXYKZJRIZALIV-VGSWGCGISA-N 2 1 390.535 3.696 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821255293 606082640 /nfs/dbraw/zinc/08/26/40/606082640.db2.gz XNXYKZJRIZALIV-VGSWGCGISA-N 2 1 390.535 3.696 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821255293 606082644 /nfs/dbraw/zinc/08/26/44/606082644.db2.gz XNXYKZJRIZALIV-VGSWGCGISA-N 2 1 390.535 3.696 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820703538 606211578 /nfs/dbraw/zinc/21/15/78/606211578.db2.gz HDGJJJBGEROSEI-HNNXBMFYSA-N 2 1 382.537 3.592 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548013 609138184 /nfs/dbraw/zinc/13/81/84/609138184.db2.gz ULHQRABEQJBSJP-OAHLLOKOSA-N 2 1 386.519 3.701 20 0 GHADMP Cc1ccc(F)c2cc(C)c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc12 ZINC001164684584 719628876 /nfs/dbraw/zinc/62/88/76/719628876.db2.gz VHSYZICJOCWLAS-UHFFFAOYSA-N 2 1 381.499 3.662 20 0 GHADMP Cc1ccc(F)c2cc(C)c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc12 ZINC001164684584 719628883 /nfs/dbraw/zinc/62/88/83/719628883.db2.gz VHSYZICJOCWLAS-UHFFFAOYSA-N 2 1 381.499 3.662 20 0 GHADMP COc1ccc2c[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)cc2c1 ZINC001164863596 720982833 /nfs/dbraw/zinc/98/28/33/720982833.db2.gz XFPWSFYUAQRQQL-MRXNPFEDSA-N 2 1 379.508 3.861 20 0 GHADMP COc1ccc2c[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@H]3C)cc2c1 ZINC001164863596 720982859 /nfs/dbraw/zinc/98/28/59/720982859.db2.gz XFPWSFYUAQRQQL-MRXNPFEDSA-N 2 1 379.508 3.861 20 0 GHADMP FC1(F)CCN(c2ccc3c([nH+]2)CCC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001164906709 721699667 /nfs/dbraw/zinc/69/96/67/721699667.db2.gz PEQAHQIZUWLEAZ-NRFANRHFSA-N 2 1 384.474 3.703 20 0 GHADMP FC1(F)CCN(c2ccc3c([nH+]2)CCC3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906709 721699670 /nfs/dbraw/zinc/69/96/70/721699670.db2.gz PEQAHQIZUWLEAZ-NRFANRHFSA-N 2 1 384.474 3.703 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC001165035266 721895941 /nfs/dbraw/zinc/89/59/41/721895941.db2.gz LZVRZBSDIOURHZ-QGZVFWFLSA-N 2 1 387.597 3.824 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000176917490 837610983 /nfs/dbraw/zinc/61/09/83/837610983.db2.gz BEPYVWMZJCGQIG-GIVPXCGWSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000176917490 837610988 /nfs/dbraw/zinc/61/09/88/837610988.db2.gz BEPYVWMZJCGQIG-GIVPXCGWSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COCc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000176917490 837610990 /nfs/dbraw/zinc/61/09/90/837610990.db2.gz BEPYVWMZJCGQIG-GIVPXCGWSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COCc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000176917490 837610994 /nfs/dbraw/zinc/61/09/94/837610994.db2.gz BEPYVWMZJCGQIG-GIVPXCGWSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000275592555 837680348 /nfs/dbraw/zinc/68/03/48/837680348.db2.gz FUNHSGICDKNPIP-HXUWFJFHSA-N 2 1 394.563 3.919 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655696119 837686975 /nfs/dbraw/zinc/68/69/75/837686975.db2.gz AUJYLIRSVVVGBS-DEOSSOPVSA-N 2 1 385.596 3.794 20 0 GHADMP C[N@H+](Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655696119 837686985 /nfs/dbraw/zinc/68/69/85/837686985.db2.gz AUJYLIRSVVVGBS-DEOSSOPVSA-N 3 1 385.596 3.794 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655696119 837686992 /nfs/dbraw/zinc/68/69/92/837686992.db2.gz AUJYLIRSVVVGBS-DEOSSOPVSA-N 3 1 385.596 3.794 20 0 GHADMP c1ccc(-c2ccccc2OCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655700414 837689084 /nfs/dbraw/zinc/68/90/84/837689084.db2.gz HAPKTDPFFFNKTH-QFIPXVFZSA-N 2 1 380.532 3.965 20 0 GHADMP COCCSc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655708700 837714637 /nfs/dbraw/zinc/71/46/37/837714637.db2.gz MBKBQZYVAUMJAC-YLJYHZDGSA-N 2 1 378.582 3.719 20 0 GHADMP Clc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC000655727844 837761199 /nfs/dbraw/zinc/76/11/99/837761199.db2.gz QTFGWJHJUVDOSM-LJQANCHMSA-N 2 1 392.971 3.621 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274573992 834445546 /nfs/dbraw/zinc/44/55/46/834445546.db2.gz JJINHSQTBZLWBT-BSMGPNNRSA-N 2 1 379.548 3.712 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000274573992 834445551 /nfs/dbraw/zinc/44/55/51/834445551.db2.gz JJINHSQTBZLWBT-BSMGPNNRSA-N 2 1 379.548 3.712 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C[N@H+]1Cc1ccccc1 ZINC000655736132 837776580 /nfs/dbraw/zinc/77/65/80/837776580.db2.gz CEUBSHPEBISKOP-JCTONOIOSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000655736132 837776590 /nfs/dbraw/zinc/77/65/90/837776590.db2.gz CEUBSHPEBISKOP-JCTONOIOSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[N@H+]1Cc1ccccc1 ZINC000655736132 837776596 /nfs/dbraw/zinc/77/65/96/837776596.db2.gz CEUBSHPEBISKOP-JCTONOIOSA-N 3 1 385.596 3.520 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000654774750 834543029 /nfs/dbraw/zinc/54/30/29/834543029.db2.gz HJCXJAZANPQABR-UHFFFAOYSA-N 2 1 389.971 3.642 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC(C)(C)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000458572631 834557208 /nfs/dbraw/zinc/55/72/08/834557208.db2.gz BUQTVPBOAWLZPP-CTNGQTDRSA-N 2 1 388.600 3.707 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000655735176 837784418 /nfs/dbraw/zinc/78/44/18/837784418.db2.gz RWRZMXJNDVTMRG-KRWDZBQOSA-N 2 1 395.385 3.960 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)NCc1cccs1 ZINC000647334725 834594614 /nfs/dbraw/zinc/59/46/14/834594614.db2.gz QUAZHLACZJEIFY-FFZOFVMBSA-N 2 1 377.598 3.776 20 0 GHADMP C[NH+](CCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375763248 834688368 /nfs/dbraw/zinc/68/83/68/834688368.db2.gz MFWFYNFNJQYDIN-QVGYUHCVSA-N 4 1 390.660 3.661 20 0 GHADMP c1ncn(-c2ccccc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772964 834724733 /nfs/dbraw/zinc/72/47/33/834724733.db2.gz OZQNXFYYHJWXML-QFIPXVFZSA-N 2 1 387.531 3.659 20 0 GHADMP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657881681 834888083 /nfs/dbraw/zinc/88/80/83/834888083.db2.gz HQZQYDDTSXXVTG-GOSISDBHSA-N 2 1 383.374 3.717 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000510075392 834898996 /nfs/dbraw/zinc/89/89/96/834898996.db2.gz ZRJFIAAFMREYAN-KNQAVFIVSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000510075391 834899147 /nfs/dbraw/zinc/89/91/47/834899147.db2.gz ZRJFIAAFMREYAN-DENIHFKCSA-N 2 1 379.548 3.779 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](Cc4nccc5ccccc54)CC3)C2)cc1 ZINC000685442018 835010978 /nfs/dbraw/zinc/01/09/78/835010978.db2.gz ZQQUIRNIQFGFBB-QHCPKHFHSA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4nccc5ccccc54)CC3)C2)cc1 ZINC000685442018 835010989 /nfs/dbraw/zinc/01/09/89/835010989.db2.gz ZQQUIRNIQFGFBB-QHCPKHFHSA-N 2 1 386.543 3.627 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000583787529 835034680 /nfs/dbraw/zinc/03/46/80/835034680.db2.gz KDWKVXMQIHURJH-NVXWUHKLSA-N 2 1 375.607 3.938 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000536164668 835263845 /nfs/dbraw/zinc/26/38/45/835263845.db2.gz UUXRNQKMWGSGDJ-PBHICJAKSA-N 2 1 396.441 3.915 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CCC(C2CC2)CC1 ZINC000612046729 835432578 /nfs/dbraw/zinc/43/25/78/835432578.db2.gz FWSOHXAADKIZPH-UHFFFAOYSA-N 2 1 389.628 3.858 20 0 GHADMP CC1=CC[C@@](C)(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000612048185 835436119 /nfs/dbraw/zinc/43/61/19/835436119.db2.gz ZSWNUWPQLUQSQG-HSZRJFAPSA-N 2 1 375.601 3.778 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1OC(F)F ZINC000658141055 835466733 /nfs/dbraw/zinc/46/67/33/835466733.db2.gz BGOWTRHMJQIICD-QAPCUYQASA-N 2 1 376.447 3.705 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OCC ZINC000133160288 835491124 /nfs/dbraw/zinc/49/11/24/835491124.db2.gz GVBMHSFRGZJRRU-ROUUACIJSA-N 2 1 376.541 3.636 20 0 GHADMP CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1=O ZINC000658296877 835560770 /nfs/dbraw/zinc/56/07/70/835560770.db2.gz WMLIUDSZFCUABU-FNAHDJPLSA-N 2 1 383.580 3.666 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)[C@H]3c3ccccc3)CC2)CC1 ZINC000584123136 835663045 /nfs/dbraw/zinc/66/30/45/835663045.db2.gz MNOWMYQPMVEMMI-HSZRJFAPSA-N 2 1 395.591 3.937 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1 ZINC000728928175 844081285 /nfs/dbraw/zinc/08/12/85/844081285.db2.gz OUCMOMNUFTYIFL-UHFFFAOYSA-N 2 1 386.540 3.627 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc3cc(OC)c(OC)cc3c2)CC1 ZINC000657834191 835743404 /nfs/dbraw/zinc/74/34/04/835743404.db2.gz FGHATQYZJLFJJZ-LJQANCHMSA-N 2 1 399.579 3.925 20 0 GHADMP C[C@@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657847802 835931242 /nfs/dbraw/zinc/93/12/42/835931242.db2.gz XBKJODZKNPRHMM-ZDUSSCGKSA-N 2 1 378.866 3.726 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000081265148 835940876 /nfs/dbraw/zinc/94/08/76/835940876.db2.gz XYXBXZBLNHVHSS-BGYRXZFFSA-N 2 1 385.596 3.901 20 0 GHADMP Cn1c(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc2cc(F)ccc21 ZINC000180175983 836094918 /nfs/dbraw/zinc/09/49/18/836094918.db2.gz CNSXMHAZDJDBFW-HLAWJBBLSA-N 2 1 392.522 3.755 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)CC1 ZINC000705664964 836352985 /nfs/dbraw/zinc/35/29/85/836352985.db2.gz YQUVLQOJVSFDSR-XMMPIXPASA-N 2 1 393.575 3.532 20 0 GHADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826086 837157995 /nfs/dbraw/zinc/15/79/95/837157995.db2.gz WJQSUAZCAUXCAG-UHOSZYNNSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826086 837158001 /nfs/dbraw/zinc/15/80/01/837158001.db2.gz WJQSUAZCAUXCAG-UHOSZYNNSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828171 837169367 /nfs/dbraw/zinc/16/93/67/837169367.db2.gz OFWPVKXOBKIMER-VCOUNFBDSA-N 2 1 377.532 3.572 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000659863075 837878537 /nfs/dbraw/zinc/87/85/37/837878537.db2.gz GDZSOFYNOPOVRM-NHCUHLMSSA-N 2 1 377.617 3.715 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187721010 837906731 /nfs/dbraw/zinc/90/67/31/837906731.db2.gz XNEZIVYDLHNAEP-SFHVURJKSA-N 2 1 380.598 3.985 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000177479945 837978399 /nfs/dbraw/zinc/97/83/99/837978399.db2.gz MQULVOCXBMJMEM-REHUZNOOSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000177479945 837978403 /nfs/dbraw/zinc/97/84/03/837978403.db2.gz MQULVOCXBMJMEM-REHUZNOOSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000177479945 837978410 /nfs/dbraw/zinc/97/84/10/837978410.db2.gz MQULVOCXBMJMEM-REHUZNOOSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000177479945 837978414 /nfs/dbraw/zinc/97/84/14/837978414.db2.gz MQULVOCXBMJMEM-REHUZNOOSA-N 2 1 391.559 3.603 20 0 GHADMP Cc1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c(C[NH+](C)C)c1 ZINC000659285696 838202236 /nfs/dbraw/zinc/20/22/36/838202236.db2.gz RDXNNFOUXJKWGO-UHFFFAOYSA-N 2 1 394.338 3.736 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000415899432 838245924 /nfs/dbraw/zinc/24/59/24/838245924.db2.gz JUTYFAACCQUCOX-SFHVURJKSA-N 2 1 380.536 3.960 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000415909305 838255337 /nfs/dbraw/zinc/25/53/37/838255337.db2.gz FPLGABGEDUDTKV-XMMPIXPASA-N 2 1 392.547 3.926 20 0 GHADMP CCc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000377999114 838262446 /nfs/dbraw/zinc/26/24/46/838262446.db2.gz HZOYQTGZWIWKAT-UHFFFAOYSA-N 2 1 386.584 3.909 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415925516 838277004 /nfs/dbraw/zinc/27/70/04/838277004.db2.gz AWWCGLAXOHCYPT-GOSISDBHSA-N 2 1 380.536 3.960 20 0 GHADMP [NH3+]C1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC2(CCC2)C1 ZINC000659315453 838281747 /nfs/dbraw/zinc/28/17/47/838281747.db2.gz SFEMODSTIWTRSF-UHFFFAOYSA-N 2 1 396.362 3.736 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000659879556 838322245 /nfs/dbraw/zinc/32/22/45/838322245.db2.gz VZOKSSSFWXKUGG-LEWJYISDSA-N 2 1 377.617 3.859 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c1 ZINC000415970452 838337330 /nfs/dbraw/zinc/33/73/30/838337330.db2.gz LLCLUNQNFGCKBR-UHFFFAOYSA-N 2 1 394.441 3.938 20 0 GHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981520 838351027 /nfs/dbraw/zinc/35/10/27/838351027.db2.gz VTMGTJPKRRGBBF-HTAPYJJXSA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981520 838351034 /nfs/dbraw/zinc/35/10/34/838351034.db2.gz VTMGTJPKRRGBBF-HTAPYJJXSA-N 2 1 395.551 3.613 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415975365 838352706 /nfs/dbraw/zinc/35/27/06/838352706.db2.gz TYZBAXIPTDJDPI-AWEZNQCLSA-N 2 1 386.462 3.798 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416171641 838656088 /nfs/dbraw/zinc/65/60/88/838656088.db2.gz RHXUNODRAWDZGF-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000377132578 839027847 /nfs/dbraw/zinc/02/78/47/839027847.db2.gz XUPWNNMCZQRVRF-JTKSJCOOSA-N 2 1 384.564 3.605 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415054865 839136772 /nfs/dbraw/zinc/13/67/72/839136772.db2.gz NWYYDQLPAYUSAH-UHFFFAOYSA-N 2 1 379.548 3.668 20 0 GHADMP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)n1 ZINC000415086788 839187273 /nfs/dbraw/zinc/18/72/73/839187273.db2.gz UXVZUCPECVKTMW-LEWJYISDSA-N 2 1 376.504 3.924 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000415107792 839218286 /nfs/dbraw/zinc/21/82/86/839218286.db2.gz LQTHDIJNYZKJOD-UONOGXRCSA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)ccc3Cl)CC2)C1 ZINC000415126842 839236977 /nfs/dbraw/zinc/23/69/77/839236977.db2.gz QGFFYYPXMXWZGF-RDJZCZTQSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])CCN(Cc4ccccc4)CC3)CC2)C1 ZINC000415125362 839247459 /nfs/dbraw/zinc/24/74/59/839247459.db2.gz DOZFQZPHIZDJEX-QPPBQGQZSA-N 2 1 398.639 3.613 20 0 GHADMP NC1(C[NH2+]Cc2c(F)cccc2N2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133606 839260631 /nfs/dbraw/zinc/26/06/31/839260631.db2.gz NHZZCLPOYVRUFY-UHFFFAOYSA-N 2 1 396.554 3.509 20 0 GHADMP NC1(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000415136859 839262753 /nfs/dbraw/zinc/26/27/53/839262753.db2.gz SNVLNHPCVBTCQU-UHFFFAOYSA-N 2 1 395.444 3.928 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000378525182 839278574 /nfs/dbraw/zinc/27/85/74/839278574.db2.gz ZEMKNKUMRKUMTQ-ICSRJNTNSA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378525182 839278576 /nfs/dbraw/zinc/27/85/76/839278576.db2.gz ZEMKNKUMRKUMTQ-ICSRJNTNSA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378525182 839278590 /nfs/dbraw/zinc/27/85/90/839278590.db2.gz ZEMKNKUMRKUMTQ-ICSRJNTNSA-N 2 1 386.584 3.684 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000580554483 839800845 /nfs/dbraw/zinc/80/08/45/839800845.db2.gz XCGOUTVYNUHYBL-POAQFYNOSA-N 2 1 378.969 3.978 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000580554483 839800855 /nfs/dbraw/zinc/80/08/55/839800855.db2.gz XCGOUTVYNUHYBL-POAQFYNOSA-N 2 1 378.969 3.978 20 0 GHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000656255028 839843718 /nfs/dbraw/zinc/84/37/18/839843718.db2.gz KQYCZFNUICBAPB-IOMROCGXSA-N 2 1 388.943 3.518 20 0 GHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000656255028 839843727 /nfs/dbraw/zinc/84/37/27/839843727.db2.gz KQYCZFNUICBAPB-IOMROCGXSA-N 2 1 388.943 3.518 20 0 GHADMP C[N@@H+](CC(=O)Nc1nc(CN2CCCC2)cs1)[C@@H]1CCCc2ccccc21 ZINC000580612580 839898856 /nfs/dbraw/zinc/89/88/56/839898856.db2.gz SPGWSUOKGOFNAB-LJQANCHMSA-N 2 1 384.549 3.687 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000580641262 839947155 /nfs/dbraw/zinc/94/71/55/839947155.db2.gz MQGDIKDSZDUUDU-KNKQGSTJSA-N 2 1 388.577 3.723 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000580641262 839947163 /nfs/dbraw/zinc/94/71/63/839947163.db2.gz MQGDIKDSZDUUDU-KNKQGSTJSA-N 2 1 388.577 3.723 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1c(C)cccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000580714879 840050516 /nfs/dbraw/zinc/05/05/16/840050516.db2.gz MVEKTAFVUXTLAO-OAQYLSRUSA-N 2 1 396.579 3.933 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1c(C)cccc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000580714879 840050522 /nfs/dbraw/zinc/05/05/22/840050522.db2.gz MVEKTAFVUXTLAO-OAQYLSRUSA-N 2 1 396.579 3.933 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC000375636449 840245081 /nfs/dbraw/zinc/24/50/81/840245081.db2.gz URHVOOJBXLKXOE-QWQGWLCTSA-N 2 1 395.591 3.953 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000416966736 840315804 /nfs/dbraw/zinc/31/58/04/840315804.db2.gz FZOALXPCGSIQQD-FQEVSTJZSA-N 2 1 398.595 3.594 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416985742 840335817 /nfs/dbraw/zinc/33/58/17/840335817.db2.gz YZQPSODELNGAPS-XXBNENTESA-N 2 1 398.595 3.735 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000416979877 840340951 /nfs/dbraw/zinc/34/09/51/840340951.db2.gz SPOVNRCCFKEYLW-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000610799138 844552307 /nfs/dbraw/zinc/55/23/07/844552307.db2.gz UATMBIMWUDSWRS-SUMWQHHRSA-N 2 1 384.305 3.816 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000563093300 844556040 /nfs/dbraw/zinc/55/60/40/844556040.db2.gz QBGCMWHZWBJVGO-SFHVURJKSA-N 2 1 380.536 3.519 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@@H](C)C3)CC2)CC1 ZINC000581141515 840778248 /nfs/dbraw/zinc/77/82/48/840778248.db2.gz YHUMCYVPHKPOAR-GBXCKJPGSA-N 2 1 397.607 3.835 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000511636476 841003497 /nfs/dbraw/zinc/00/34/97/841003497.db2.gz WNRNIDKANFGNQU-OAHLLOKOSA-N 2 1 385.474 3.687 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000511636476 841003501 /nfs/dbraw/zinc/00/35/01/841003501.db2.gz WNRNIDKANFGNQU-OAHLLOKOSA-N 2 1 385.474 3.687 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000430560141 841104307 /nfs/dbraw/zinc/10/43/07/841104307.db2.gz VJADHVGCCCFYNY-PKOBYXMFSA-N 2 1 375.532 3.546 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000430560141 841104312 /nfs/dbraw/zinc/10/43/12/841104312.db2.gz VJADHVGCCCFYNY-PKOBYXMFSA-N 2 1 375.532 3.546 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000417829840 841209378 /nfs/dbraw/zinc/20/93/78/841209378.db2.gz GLBQJWNFCYIVFI-PNJWGLBASA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417882608 841243897 /nfs/dbraw/zinc/24/38/97/841243897.db2.gz VNRVNHGXZYFVGP-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417979227 841350738 /nfs/dbraw/zinc/35/07/38/841350738.db2.gz FEQWNQXQOXBANL-ROUUACIJSA-N 2 1 398.954 3.629 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417979227 841350748 /nfs/dbraw/zinc/35/07/48/841350748.db2.gz FEQWNQXQOXBANL-ROUUACIJSA-N 2 1 398.954 3.629 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCCc4ccccc43)c2)C1 ZINC000177448734 861192840 /nfs/dbraw/zinc/19/28/40/861192840.db2.gz TXAALPMRFIQSCI-LADGPHEKSA-N 2 1 391.559 3.941 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662788500 841629687 /nfs/dbraw/zinc/62/96/87/841629687.db2.gz KHNQFVDSHDAJLF-GOSISDBHSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662799170 841646864 /nfs/dbraw/zinc/64/68/64/841646864.db2.gz UHDMMJASWFRNIL-ROUUACIJSA-N 2 1 393.934 3.781 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662799170 841646870 /nfs/dbraw/zinc/64/68/70/841646870.db2.gz UHDMMJASWFRNIL-ROUUACIJSA-N 2 1 393.934 3.781 20 0 GHADMP C[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728061 861223890 /nfs/dbraw/zinc/22/38/90/861223890.db2.gz FZHPJRUOZOFWKA-WOJBJXKFSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728061 861223897 /nfs/dbraw/zinc/22/38/97/861223897.db2.gz FZHPJRUOZOFWKA-WOJBJXKFSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728061 861223909 /nfs/dbraw/zinc/22/39/09/861223909.db2.gz FZHPJRUOZOFWKA-WOJBJXKFSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728079 861224238 /nfs/dbraw/zinc/22/42/38/861224238.db2.gz FZHPJRUOZOFWKA-PMACEKPBSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185728079 861224253 /nfs/dbraw/zinc/22/42/53/861224253.db2.gz FZHPJRUOZOFWKA-PMACEKPBSA-N 2 1 398.595 3.858 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185728079 861224268 /nfs/dbraw/zinc/22/42/68/861224268.db2.gz FZHPJRUOZOFWKA-PMACEKPBSA-N 2 1 398.595 3.858 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000090192734 841732894 /nfs/dbraw/zinc/73/28/94/841732894.db2.gz QGFDRDDGHGZAGE-NRFANRHFSA-N 2 1 380.536 3.652 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000090192734 841732903 /nfs/dbraw/zinc/73/29/03/841732903.db2.gz QGFDRDDGHGZAGE-NRFANRHFSA-N 2 1 380.536 3.652 20 0 GHADMP O=C(NCC[NH2+]C1CCCCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000581666353 841965766 /nfs/dbraw/zinc/96/57/66/841965766.db2.gz WWYHXBYAROODGU-IBGZPJMESA-N 2 1 386.584 3.922 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000581684440 842022773 /nfs/dbraw/zinc/02/27/73/842022773.db2.gz MZJJAHSBIAGIDB-JOCHJYFZSA-N 2 1 387.612 3.855 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000581684440 842022784 /nfs/dbraw/zinc/02/27/84/842022784.db2.gz MZJJAHSBIAGIDB-JOCHJYFZSA-N 2 1 387.612 3.855 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001167825494 842043967 /nfs/dbraw/zinc/04/39/67/842043967.db2.gz KLQLNJNHCGXMAE-FJIJXJHWSA-N 2 1 385.596 3.835 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000512014356 842135051 /nfs/dbraw/zinc/13/50/51/842135051.db2.gz FLZPSUZZOACAFL-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000512014356 842135056 /nfs/dbraw/zinc/13/50/56/842135056.db2.gz FLZPSUZZOACAFL-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000512014356 842135059 /nfs/dbraw/zinc/13/50/59/842135059.db2.gz FLZPSUZZOACAFL-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000569348875 842141144 /nfs/dbraw/zinc/14/11/44/842141144.db2.gz LYXCFLWDJXJFLW-GCJKJVERSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000569348875 842141152 /nfs/dbraw/zinc/14/11/52/842141152.db2.gz LYXCFLWDJXJFLW-GCJKJVERSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)CCCO1 ZINC000432353152 842145270 /nfs/dbraw/zinc/14/52/70/842145270.db2.gz IGYMDXZACHGFIT-CYBMUJFWSA-N 2 1 375.738 3.693 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000661859474 842241836 /nfs/dbraw/zinc/24/18/36/842241836.db2.gz YGDFCGXXPQJFRW-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661859474 842241843 /nfs/dbraw/zinc/24/18/43/842241843.db2.gz YGDFCGXXPQJFRW-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661859474 842241852 /nfs/dbraw/zinc/24/18/52/842241852.db2.gz YGDFCGXXPQJFRW-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000164590123 842299692 /nfs/dbraw/zinc/29/96/92/842299692.db2.gz YEBRTPYBFXXAAN-CQSZACIVSA-N 2 1 393.329 3.741 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)C1 ZINC000652349270 842329174 /nfs/dbraw/zinc/32/91/74/842329174.db2.gz IXOVPVKFALYWCW-IYOUNJFTSA-N 2 1 393.503 3.807 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000623654948 861298346 /nfs/dbraw/zinc/29/83/46/861298346.db2.gz KSHMAJTYEPILMF-OAQYLSRUSA-N 2 1 389.547 3.815 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000623655286 861299007 /nfs/dbraw/zinc/29/90/07/861299007.db2.gz UFJVDGAVTGQJKU-IBGZPJMESA-N 2 1 375.520 3.756 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(Cc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC000891611322 842422304 /nfs/dbraw/zinc/42/23/04/842422304.db2.gz JYEPUANHGVUXHG-UHFFFAOYSA-N 2 1 393.576 3.711 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC000891611322 842422313 /nfs/dbraw/zinc/42/23/13/842422313.db2.gz JYEPUANHGVUXHG-UHFFFAOYSA-N 2 1 393.576 3.711 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 ZINC000891611322 842422319 /nfs/dbraw/zinc/42/23/19/842422319.db2.gz JYEPUANHGVUXHG-UHFFFAOYSA-N 2 1 393.576 3.711 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432416106 842426245 /nfs/dbraw/zinc/42/62/45/842426245.db2.gz FQWWRLJGYHQABM-LSDHHAIUSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432416106 842426247 /nfs/dbraw/zinc/42/62/47/842426247.db2.gz FQWWRLJGYHQABM-LSDHHAIUSA-N 2 1 387.337 3.610 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCc2ccccc21 ZINC000430676465 842454669 /nfs/dbraw/zinc/45/46/69/842454669.db2.gz DNUQSPLGYIAIHK-DEOSSOPVSA-N 2 1 397.607 3.761 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512089148 842460594 /nfs/dbraw/zinc/46/05/94/842460594.db2.gz REFMUWZKHPPGLI-ZDUSSCGKSA-N 2 1 375.376 3.971 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Sc4ccccn4)o3)CC2)nc(C)[nH+]1 ZINC000512117263 842555196 /nfs/dbraw/zinc/55/51/96/842555196.db2.gz SLVLULXYTCRKHW-UHFFFAOYSA-N 2 1 395.532 3.991 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C2CC2)cc1 ZINC000248453008 842682736 /nfs/dbraw/zinc/68/27/36/842682736.db2.gz QDYKJRDLYOPFPE-LADGPHEKSA-N 2 1 380.532 3.893 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512174971 842750454 /nfs/dbraw/zinc/75/04/54/842750454.db2.gz IZGFHBBAHGKGCC-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000188234047 842830536 /nfs/dbraw/zinc/83/05/36/842830536.db2.gz MVFXUZRYIFUCPU-INIZCTEOSA-N 2 1 383.374 3.859 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000652611042 842845728 /nfs/dbraw/zinc/84/57/28/842845728.db2.gz VLBJVQQHTNZQBU-IPMKNSEASA-N 2 1 396.535 3.539 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471858938 842888287 /nfs/dbraw/zinc/88/82/87/842888287.db2.gz ISIHAZBXEWZUGI-FGZHOGPDSA-N 2 1 379.548 3.914 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471858938 842888297 /nfs/dbraw/zinc/88/82/97/842888297.db2.gz ISIHAZBXEWZUGI-FGZHOGPDSA-N 2 1 379.548 3.914 20 0 GHADMP CC[C@@H](C)[N@@H+](Cc1cccc2c1CC[NH2+]C2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000662248501 843014194 /nfs/dbraw/zinc/01/41/94/843014194.db2.gz DHJDSNZDGFHZBO-MRXNPFEDSA-N 2 1 376.504 3.782 20 0 GHADMP CC[C@@H](C)[N@H+](Cc1cccc2c1CC[NH2+]C2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000662248501 843014204 /nfs/dbraw/zinc/01/42/04/843014204.db2.gz DHJDSNZDGFHZBO-MRXNPFEDSA-N 2 1 376.504 3.782 20 0 GHADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccc5c4CC[NH2+]C5)C3)n2)cc1 ZINC000662258383 843033475 /nfs/dbraw/zinc/03/34/75/843033475.db2.gz UFAMFNNDKNQJQF-IBGZPJMESA-N 2 1 392.478 3.901 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510608620 843038317 /nfs/dbraw/zinc/03/83/17/843038317.db2.gz MWVGMEMTFZHMCH-JOCHJYFZSA-N 2 1 382.552 3.575 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510608620 843038330 /nfs/dbraw/zinc/03/83/30/843038330.db2.gz MWVGMEMTFZHMCH-JOCHJYFZSA-N 2 1 382.552 3.575 20 0 GHADMP CC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000165202354 843104883 /nfs/dbraw/zinc/10/48/83/843104883.db2.gz PSNQOMZQRRVXMP-GGAORHGYSA-N 2 1 395.591 3.764 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CCO1 ZINC000662319456 843139022 /nfs/dbraw/zinc/13/90/22/843139022.db2.gz NMVAAYGFVOUWCN-HXUWFJFHSA-N 2 1 378.520 3.544 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CCO1 ZINC000662319456 843139028 /nfs/dbraw/zinc/13/90/28/843139028.db2.gz NMVAAYGFVOUWCN-HXUWFJFHSA-N 2 1 378.520 3.544 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182303349 843165307 /nfs/dbraw/zinc/16/53/07/843165307.db2.gz UFEXOWXGLDNUDT-DHIUTWEWSA-N 2 1 398.595 3.544 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000662419225 843210134 /nfs/dbraw/zinc/21/01/34/843210134.db2.gz GAELNVLHRQUADT-NFBKMPQASA-N 2 1 391.559 3.707 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000512270667 843285996 /nfs/dbraw/zinc/28/59/96/843285996.db2.gz NRGLOVOYYCZJTD-GOSISDBHSA-N 2 1 389.609 3.958 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000512270667 843286007 /nfs/dbraw/zinc/28/60/07/843286007.db2.gz NRGLOVOYYCZJTD-GOSISDBHSA-N 2 1 389.609 3.958 20 0 GHADMP COc1cccc(NC(=O)CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512279072 843308806 /nfs/dbraw/zinc/30/88/06/843308806.db2.gz RTKGLBPYCFBTCE-DEOSSOPVSA-N 2 1 393.531 3.622 20 0 GHADMP C[C@H]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC[N@H+]1Cc1ccccc1 ZINC000662482233 843312434 /nfs/dbraw/zinc/31/24/34/843312434.db2.gz JTYLWWQJRJQIBG-WMZHIEFXSA-N 2 1 391.559 3.802 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000500442295 843357522 /nfs/dbraw/zinc/35/75/22/843357522.db2.gz TUFKOJMANJMRQH-YGOYIFOWSA-N 2 1 379.548 3.854 20 0 GHADMP CC1CCC(N(C)C(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000432669041 843382057 /nfs/dbraw/zinc/38/20/57/843382057.db2.gz KXXJKFVKIOUAAP-UUKMXZOPSA-N 2 1 389.609 3.729 20 0 GHADMP CC1CCC(N(C)C(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000432669041 843382067 /nfs/dbraw/zinc/38/20/67/843382067.db2.gz KXXJKFVKIOUAAP-UUKMXZOPSA-N 2 1 389.609 3.729 20 0 GHADMP CCN(C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000432671596 843407616 /nfs/dbraw/zinc/40/76/16/843407616.db2.gz RTNJWEPHTZJRPP-FQEVSTJZSA-N 2 1 389.609 3.873 20 0 GHADMP CCN(C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000432671596 843407620 /nfs/dbraw/zinc/40/76/20/843407620.db2.gz RTNJWEPHTZJRPP-FQEVSTJZSA-N 2 1 389.609 3.873 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535659178 843504477 /nfs/dbraw/zinc/50/44/77/843504477.db2.gz MVKOWECSCVRFPK-YYWHXJBOSA-N 2 1 389.971 3.856 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535659178 843504479 /nfs/dbraw/zinc/50/44/79/843504479.db2.gz MVKOWECSCVRFPK-YYWHXJBOSA-N 2 1 389.971 3.856 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535659178 843504481 /nfs/dbraw/zinc/50/44/81/843504481.db2.gz MVKOWECSCVRFPK-YYWHXJBOSA-N 2 1 389.971 3.856 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000535659178 843504483 /nfs/dbraw/zinc/50/44/83/843504483.db2.gz MVKOWECSCVRFPK-YYWHXJBOSA-N 2 1 389.971 3.856 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000303143765 843702915 /nfs/dbraw/zinc/70/29/15/843702915.db2.gz LHHKAGMVRMQNGF-HOTGVXAUSA-N 2 1 381.358 3.770 20 0 GHADMP CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411700042 843849571 /nfs/dbraw/zinc/84/95/71/843849571.db2.gz ZDDUZHHYIFBTAJ-FQEVSTJZSA-N 2 1 383.540 3.501 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500719480 843881512 /nfs/dbraw/zinc/88/15/12/843881512.db2.gz ZYZTYQKEWIZYED-SIKLNZKXSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000458262415 844695805 /nfs/dbraw/zinc/69/58/05/844695805.db2.gz YNJIAZYAAHELPF-JOCHJYFZSA-N 2 1 386.584 3.543 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000729032873 844696497 /nfs/dbraw/zinc/69/64/97/844696497.db2.gz PWFYPKWZDHFNPY-YLJYHZDGSA-N 2 1 395.385 3.926 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000729032873 844696526 /nfs/dbraw/zinc/69/65/26/844696526.db2.gz PWFYPKWZDHFNPY-YLJYHZDGSA-N 2 1 395.385 3.926 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000152135320 844835673 /nfs/dbraw/zinc/83/56/73/844835673.db2.gz FFZORYGKXIXWQX-KRWDZBQOSA-N 2 1 383.540 3.758 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179265849 861514316 /nfs/dbraw/zinc/51/43/16/861514316.db2.gz HTRUJHFRBRRSMA-DHIUTWEWSA-N 2 1 394.563 3.725 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179269830 861515440 /nfs/dbraw/zinc/51/54/40/861515440.db2.gz WFGDOACGQMATGL-YADHBBJMSA-N 2 1 384.568 3.528 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512673466 844991636 /nfs/dbraw/zinc/99/16/36/844991636.db2.gz QTYOLJPDLUAMFT-OEMFJLHTSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512673466 844991647 /nfs/dbraw/zinc/99/16/47/844991647.db2.gz QTYOLJPDLUAMFT-OEMFJLHTSA-N 2 1 399.623 3.766 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000512673466 844991662 /nfs/dbraw/zinc/99/16/62/844991662.db2.gz QTYOLJPDLUAMFT-OEMFJLHTSA-N 2 1 399.623 3.766 20 0 GHADMP Cc1oc2nc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)nc(N)c2c1C ZINC000179389471 861559571 /nfs/dbraw/zinc/55/95/71/861559571.db2.gz ITPLREWPXNITFK-UHFFFAOYSA-N 2 1 394.523 3.555 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614237012 845374397 /nfs/dbraw/zinc/37/43/97/845374397.db2.gz HAKVTDIQEQNVGC-VWNXMTODSA-N 2 1 391.559 3.504 20 0 GHADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179391995 861561576 /nfs/dbraw/zinc/56/15/76/861561576.db2.gz DGKYERZVVRCLNJ-GOSISDBHSA-N 2 1 396.535 3.656 20 0 GHADMP C[C@H](CO)[N@H+]1CCCN(c2cc[nH+]c3ccc(Oc4ccccc4)cc32)CC1 ZINC000433802191 845405563 /nfs/dbraw/zinc/40/55/63/845405563.db2.gz HRSTXWUYVCWYJS-GOSISDBHSA-N 2 1 377.488 3.920 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(CNCc3c(F)ccc(O)c3F)cc2)C[C@H](C)O1 ZINC000509790287 845409551 /nfs/dbraw/zinc/40/95/51/845409551.db2.gz XHBFHIHUVHJKCO-GASCZTMLSA-N 2 1 376.447 3.569 20 0 GHADMP C[C@@H]1CN(Cc2ccc(CNCc3c(F)ccc(O)c3F)cc2)C[C@H](C)O1 ZINC000509790287 845409558 /nfs/dbraw/zinc/40/95/58/845409558.db2.gz XHBFHIHUVHJKCO-GASCZTMLSA-N 2 1 376.447 3.569 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513435256 845432727 /nfs/dbraw/zinc/43/27/27/845432727.db2.gz ROERTYOTGYVYOA-TZIWHRDSSA-N 2 1 388.552 3.715 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513435256 845432732 /nfs/dbraw/zinc/43/27/32/845432732.db2.gz ROERTYOTGYVYOA-TZIWHRDSSA-N 2 1 388.552 3.715 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000513461831 845482933 /nfs/dbraw/zinc/48/29/33/845482933.db2.gz QJUHFGTWEADGCG-UGKGYDQZSA-N 2 1 390.591 3.520 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000411548667 845579422 /nfs/dbraw/zinc/57/94/22/845579422.db2.gz FRUAGVWQGRDZPC-AUSIDOKSSA-N 2 1 395.547 3.914 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C2CC2)c1 ZINC000513533424 845629157 /nfs/dbraw/zinc/62/91/57/845629157.db2.gz RIRFJWSHUBJTSK-RUZDIDTESA-N 2 1 393.575 3.554 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000150287382 845745604 /nfs/dbraw/zinc/74/56/04/845745604.db2.gz KOUZWKRTIHTJBT-QGZVFWFLSA-N 2 1 389.565 3.825 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Br)ccc1F ZINC000179509948 861609682 /nfs/dbraw/zinc/60/96/82/861609682.db2.gz ZECYXRTVOIMNNO-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167509471 845850911 /nfs/dbraw/zinc/85/09/11/845850911.db2.gz NQGHGSSPRFHOML-JOCHJYFZSA-N 2 1 387.568 3.841 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167509471 845850919 /nfs/dbraw/zinc/85/09/19/845850919.db2.gz NQGHGSSPRFHOML-JOCHJYFZSA-N 2 1 387.568 3.841 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001167509471 845850930 /nfs/dbraw/zinc/85/09/30/845850930.db2.gz NQGHGSSPRFHOML-JOCHJYFZSA-N 2 1 387.568 3.841 20 0 GHADMP C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167529342 846076625 /nfs/dbraw/zinc/07/66/25/846076625.db2.gz JEXMWKCQDQWAKY-NZQKXSOJSA-N 2 1 385.596 3.773 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421358789 846192868 /nfs/dbraw/zinc/19/28/68/846192868.db2.gz UUIRORAMDFFYHC-UHFFFAOYSA-N 2 1 395.595 3.735 20 0 GHADMP NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513684008 846240131 /nfs/dbraw/zinc/24/01/31/846240131.db2.gz OBNHXNSVOBELAK-XPWALMASSA-N 2 1 377.532 3.566 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000157911909 846246375 /nfs/dbraw/zinc/24/63/75/846246375.db2.gz GPBVTRWZCSFCEH-MSOLQXFVSA-N 2 1 391.556 3.523 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC000502788619 846465045 /nfs/dbraw/zinc/46/50/45/846465045.db2.gz HYIXQNKZXXLUPM-UHFFFAOYSA-N 2 1 398.595 3.557 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000502828647 846523136 /nfs/dbraw/zinc/52/31/36/846523136.db2.gz MMOKZAOFEJFHEF-OALUTQOASA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000502828647 846523143 /nfs/dbraw/zinc/52/31/43/846523143.db2.gz MMOKZAOFEJFHEF-OALUTQOASA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000502828647 846523154 /nfs/dbraw/zinc/52/31/54/846523154.db2.gz MMOKZAOFEJFHEF-OALUTQOASA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000502828648 846523268 /nfs/dbraw/zinc/52/32/68/846523268.db2.gz MMOKZAOFEJFHEF-RBUKOAKNSA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000502828648 846523273 /nfs/dbraw/zinc/52/32/73/846523273.db2.gz MMOKZAOFEJFHEF-RBUKOAKNSA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000502828648 846523279 /nfs/dbraw/zinc/52/32/79/846523279.db2.gz MMOKZAOFEJFHEF-RBUKOAKNSA-N 2 1 392.613 3.524 20 0 GHADMP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066451 846597644 /nfs/dbraw/zinc/59/76/44/846597644.db2.gz COGQOIGYLVTNNX-QGZVFWFLSA-N 2 1 398.576 3.979 20 0 GHADMP O[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001167554581 846608233 /nfs/dbraw/zinc/60/82/33/846608233.db2.gz RIUBBPAFWWLDNH-DQEYMECFSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@@H](CCc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001167554581 846608238 /nfs/dbraw/zinc/60/82/38/846608238.db2.gz RIUBBPAFWWLDNH-DQEYMECFSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@@H](CCc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001167554581 846608244 /nfs/dbraw/zinc/60/82/44/846608244.db2.gz RIUBBPAFWWLDNH-DQEYMECFSA-N 2 1 378.560 3.968 20 0 GHADMP CC(C)CNC(=O)c1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501077173 846618775 /nfs/dbraw/zinc/61/87/75/846618775.db2.gz MXIWJMHLMKOLOF-UHFFFAOYSA-N 2 1 394.563 3.816 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000582232055 846684169 /nfs/dbraw/zinc/68/41/69/846684169.db2.gz CUSBIUUIIANKPZ-VDZJLULYSA-N 2 1 393.959 3.502 20 0 GHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000503100545 846796399 /nfs/dbraw/zinc/79/63/99/846796399.db2.gz CQSVSSFZOJLHIH-LPHOPBHVSA-N 2 1 380.964 3.506 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000503100545 846796404 /nfs/dbraw/zinc/79/64/04/846796404.db2.gz CQSVSSFZOJLHIH-LPHOPBHVSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000503112636 846823136 /nfs/dbraw/zinc/82/31/36/846823136.db2.gz RSDYZJOYYGLJCJ-UGKGYDQZSA-N 2 1 394.563 3.690 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC(C)C)cc3F)CC2)CC1 ZINC000582309358 846832433 /nfs/dbraw/zinc/83/24/33/846832433.db2.gz BKYTVGZXRWXVGY-UHFFFAOYSA-N 2 1 391.531 3.748 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000422130900 846862855 /nfs/dbraw/zinc/86/28/55/846862855.db2.gz BLFBYGQEACUBFQ-QHCPKHFHSA-N 2 1 398.595 3.648 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000501490699 846953014 /nfs/dbraw/zinc/95/30/14/846953014.db2.gz KEYPBOGQZFTENR-RBUKOAKNSA-N 2 1 394.629 3.722 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000501531943 846998332 /nfs/dbraw/zinc/99/83/32/846998332.db2.gz FBJDFHQPSHTPAM-RBUKOAKNSA-N 2 1 390.572 3.792 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000272416667 847073232 /nfs/dbraw/zinc/07/32/32/847073232.db2.gz MQDBEYWBEQVYIZ-NUNAXRQHSA-N 2 1 398.572 3.516 20 0 GHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000420365970 847142078 /nfs/dbraw/zinc/14/20/78/847142078.db2.gz QPGWEADAQACZGS-PZJWPPBQSA-N 2 1 385.939 3.523 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272676488 847142737 /nfs/dbraw/zinc/14/27/37/847142737.db2.gz RAWMFRFDRYPJRU-GCJKJVERSA-N 2 1 375.520 3.576 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272811260 847179451 /nfs/dbraw/zinc/17/94/51/847179451.db2.gz ARCVBAYXDROITF-RXVVDRJESA-N 2 1 379.504 3.786 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272811260 847179461 /nfs/dbraw/zinc/17/94/61/847179461.db2.gz ARCVBAYXDROITF-RXVVDRJESA-N 2 1 379.504 3.786 20 0 GHADMP CC(C)n1ccnc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000657427209 847215347 /nfs/dbraw/zinc/21/53/47/847215347.db2.gz QYFWCUCXTVYYJV-BGYRXZFFSA-N 2 1 384.568 3.763 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000501840628 847272764 /nfs/dbraw/zinc/27/27/64/847272764.db2.gz LIOQGCXWMRWQHU-CGBFIWBNSA-N 2 1 390.572 3.661 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857143 847282602 /nfs/dbraw/zinc/28/26/02/847282602.db2.gz UHPPLEOLJRFRRP-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501858307 847283380 /nfs/dbraw/zinc/28/33/80/847283380.db2.gz IUJAGVFPYNBYTP-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894269528 847351124 /nfs/dbraw/zinc/35/11/24/847351124.db2.gz UDNFJJJGIFONLQ-AABGKKOBSA-N 2 1 376.516 3.510 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894269528 847351140 /nfs/dbraw/zinc/35/11/40/847351140.db2.gz UDNFJJJGIFONLQ-AABGKKOBSA-N 2 1 376.516 3.510 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422244331 847487841 /nfs/dbraw/zinc/48/78/41/847487841.db2.gz KZBGJMCGGVVOQR-PELRDEGISA-N 2 1 378.605 3.545 20 0 GHADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000420946619 847567917 /nfs/dbraw/zinc/56/79/17/847567917.db2.gz BCSWQBFHYPBBJL-XZOQPEGZSA-N 2 1 399.966 3.707 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)NC(C)(C)CC[NH3+])cc1)C[C@@H]1CCCCO1 ZINC000422572938 847708469 /nfs/dbraw/zinc/70/84/69/847708469.db2.gz KNAFOAWCKOTXAO-FQEVSTJZSA-N 2 1 390.572 3.715 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503474352 847726832 /nfs/dbraw/zinc/72/68/32/847726832.db2.gz PSLJGSSUOUPAAB-GOTSBHOMSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@@H]1C[NH3+] ZINC000422625452 847736997 /nfs/dbraw/zinc/73/69/97/847736997.db2.gz BRMLMNPWPQSPOO-YCPHGPKFSA-N 2 1 389.341 3.711 20 0 GHADMP COc1ccc([C@H](NC[C@H](C)[N@@H+]2CCc3sccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422722919 847796604 /nfs/dbraw/zinc/79/66/04/847796604.db2.gz ZCPDNGOCUUJURN-AQKFKSFVSA-N 2 1 385.577 3.586 20 0 GHADMP COc1ccc([C@H](NC[C@H](C)[N@H+]2CCc3sccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422722919 847796607 /nfs/dbraw/zinc/79/66/07/847796607.db2.gz ZCPDNGOCUUJURN-AQKFKSFVSA-N 2 1 385.577 3.586 20 0 GHADMP COc1ccc([C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422769273 847816126 /nfs/dbraw/zinc/81/61/26/847816126.db2.gz VNWYQVQLRMCQQU-PKTZIBPZSA-N 2 1 398.522 3.965 20 0 GHADMP c1ccc([C@H](CN2CCCC2)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800263 847828613 /nfs/dbraw/zinc/82/86/13/847828613.db2.gz AZXXTNTYQZCFQE-FIXSFTCYSA-N 2 1 377.532 3.669 20 0 GHADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422801914 847829860 /nfs/dbraw/zinc/82/98/60/847829860.db2.gz COGDKASTNAVALI-UVBJJODRSA-N 2 1 385.455 3.671 20 0 GHADMP COc1cc2[nH]c(CCC[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])cc2c(OC)c1 ZINC000422866337 847860717 /nfs/dbraw/zinc/86/07/17/847860717.db2.gz QEHDTKZSLCHBPD-HRAATJIYSA-N 2 1 381.520 3.666 20 0 GHADMP Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)cc1 ZINC000422881479 847867447 /nfs/dbraw/zinc/86/74/47/847867447.db2.gz NVEAKWZCEUXNIZ-FCHUYYIVSA-N 2 1 381.520 3.762 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1 ZINC001167945155 847903815 /nfs/dbraw/zinc/90/38/15/847903815.db2.gz UUPXLOJDDWPFLN-HKUYNNGSSA-N 2 1 390.572 3.707 20 0 GHADMP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000423072518 847963732 /nfs/dbraw/zinc/96/37/32/847963732.db2.gz JNMPARQPZCXQPJ-MSOLQXFVSA-N 2 1 379.426 3.952 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000075007952 848168848 /nfs/dbraw/zinc/16/88/48/848168848.db2.gz HBJQIEFUPXTSEI-UHFFFAOYSA-N 2 1 375.376 3.833 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3OC(F)F)cc2)C1 ZINC000657593576 848283325 /nfs/dbraw/zinc/28/33/25/848283325.db2.gz APULQQGGYWVYJG-MRXNPFEDSA-N 2 1 396.865 3.798 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3OC(F)F)cc2)C1 ZINC000657593576 848283328 /nfs/dbraw/zinc/28/33/28/848283328.db2.gz APULQQGGYWVYJG-MRXNPFEDSA-N 2 1 396.865 3.798 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657593692 848286261 /nfs/dbraw/zinc/28/62/61/848286261.db2.gz BLYYUPSYGGLXDM-GCJKJVERSA-N 2 1 398.547 3.729 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4F)o3)cc2)C1 ZINC000657595326 848287042 /nfs/dbraw/zinc/28/70/42/848287042.db2.gz OWQBAQXQWDFSPD-IBGZPJMESA-N 2 1 380.463 3.942 20 0 GHADMP Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)cs2)cc1 ZINC000657595322 848287363 /nfs/dbraw/zinc/28/73/63/848287363.db2.gz OTQPSZJARWVKNF-QFIPXVFZSA-N 2 1 393.556 3.975 20 0 GHADMP Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cs2)cc1 ZINC000657595322 848287373 /nfs/dbraw/zinc/28/73/73/848287373.db2.gz OTQPSZJARWVKNF-QFIPXVFZSA-N 2 1 393.556 3.975 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)cc2)C1 ZINC000657596589 848298020 /nfs/dbraw/zinc/29/80/20/848298020.db2.gz OPPTWOWCNNFLDO-INIZCTEOSA-N 2 1 398.400 3.581 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)cc2)C1 ZINC000657596589 848298031 /nfs/dbraw/zinc/29/80/31/848298031.db2.gz OPPTWOWCNNFLDO-INIZCTEOSA-N 2 1 398.400 3.581 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657598024 848301608 /nfs/dbraw/zinc/30/16/08/848301608.db2.gz XAUMKVGNOSJARD-NAJSETDRSA-N 2 1 380.532 3.593 20 0 GHADMP Brc1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000582791051 848394026 /nfs/dbraw/zinc/39/40/26/848394026.db2.gz OYHPTMYSYYHKKP-HXUWFJFHSA-N 2 1 387.321 3.668 20 0 GHADMP Brc1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000582791051 848394031 /nfs/dbraw/zinc/39/40/31/848394031.db2.gz OYHPTMYSYYHKKP-HXUWFJFHSA-N 2 1 387.321 3.668 20 0 GHADMP CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(OC)c(OC)c1 ZINC000162260390 848878367 /nfs/dbraw/zinc/87/83/67/848878367.db2.gz VKXZCEGFMBWDJD-LJQANCHMSA-N 2 1 384.524 3.820 20 0 GHADMP COc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000583136294 849151508 /nfs/dbraw/zinc/15/15/08/849151508.db2.gz PFFSHGMJWLOGAR-YLJYHZDGSA-N 2 1 384.520 3.894 20 0 GHADMP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604209278 861994620 /nfs/dbraw/zinc/99/46/20/861994620.db2.gz NKPFTUPXAPRECU-YMPZKCBVSA-N 2 1 398.595 3.523 20 0 GHADMP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604209278 861994630 /nfs/dbraw/zinc/99/46/30/861994630.db2.gz NKPFTUPXAPRECU-YMPZKCBVSA-N 2 1 398.595 3.523 20 0 GHADMP CCCCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H](C)c1ccccc1 ZINC000604209311 861996122 /nfs/dbraw/zinc/99/61/22/861996122.db2.gz RKHYIHLGWGKPCA-FPOVZHCZSA-N 2 1 386.584 3.728 20 0 GHADMP CCCCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccccc1 ZINC000604209311 861996133 /nfs/dbraw/zinc/99/61/33/861996133.db2.gz RKHYIHLGWGKPCA-FPOVZHCZSA-N 2 1 386.584 3.728 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000555855795 862007087 /nfs/dbraw/zinc/00/70/87/862007087.db2.gz FFGFSLYHXFWUSM-XZOQPEGZSA-N 2 1 394.563 3.707 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000125876220 849608248 /nfs/dbraw/zinc/60/82/48/849608248.db2.gz WFVJTNJFPDKDLJ-OAHLLOKOSA-N 2 1 386.353 3.657 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000511236722 849616663 /nfs/dbraw/zinc/61/66/63/849616663.db2.gz XDSFXRDNQNISAQ-NNMXDRDESA-N 2 1 386.584 3.702 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140675 849772398 /nfs/dbraw/zinc/77/23/98/849772398.db2.gz ZCDJGPOFCOOUFA-YFNKSVMNSA-N 2 1 399.623 3.816 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140675 849772402 /nfs/dbraw/zinc/77/24/02/849772402.db2.gz ZCDJGPOFCOOUFA-YFNKSVMNSA-N 3 1 399.623 3.816 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140675 849772405 /nfs/dbraw/zinc/77/24/05/849772405.db2.gz ZCDJGPOFCOOUFA-YFNKSVMNSA-N 3 1 399.623 3.816 20 0 GHADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000536020118 849883873 /nfs/dbraw/zinc/88/38/73/849883873.db2.gz LUXHTCYQSCJFRI-RTBURBONSA-N 2 1 383.536 3.971 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513807327 849885754 /nfs/dbraw/zinc/88/57/54/849885754.db2.gz ZGRIAUMQNQCOGQ-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1F ZINC000423521771 849966684 /nfs/dbraw/zinc/96/66/84/849966684.db2.gz SZRCIJDGEZNZDQ-IRIHCNEDSA-N 2 1 389.559 3.667 20 0 GHADMP CCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749975 849972490 /nfs/dbraw/zinc/97/24/90/849972490.db2.gz QHJBIQYIOURINU-LSDHHAIUSA-N 2 1 386.367 3.964 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1)CC(C)C ZINC000430074972 849992614 /nfs/dbraw/zinc/99/26/14/849992614.db2.gz ABUMBHBIBOHBSP-UHFFFAOYSA-N 2 1 383.584 3.906 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000664372734 850144207 /nfs/dbraw/zinc/14/42/07/850144207.db2.gz IONLRSGRWDQFTM-QGZVFWFLSA-N 2 1 395.551 3.663 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000481713330 862117285 /nfs/dbraw/zinc/11/72/85/862117285.db2.gz CBQQZGIUFMNMFV-UGKGYDQZSA-N 3 1 393.641 3.687 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H](C)C1 ZINC000481713330 862117295 /nfs/dbraw/zinc/11/72/95/862117295.db2.gz CBQQZGIUFMNMFV-UGKGYDQZSA-N 2 1 393.641 3.687 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)CC[NH2+]CC2 ZINC000424301626 850341871 /nfs/dbraw/zinc/34/18/71/850341871.db2.gz XWNGRXAEIWKGRY-HTAPYJJXSA-N 2 1 387.543 3.637 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424283348 850353777 /nfs/dbraw/zinc/35/37/77/850353777.db2.gz BLTRSARUIPQBDV-HXUWFJFHSA-N 2 1 391.559 3.746 20 0 GHADMP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000518934110 850355762 /nfs/dbraw/zinc/35/57/62/850355762.db2.gz GMSBMDGYOQPWDN-WVUPVLJSSA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000426486281 850365099 /nfs/dbraw/zinc/36/50/99/850365099.db2.gz PAURRHFQDGHYLR-WDSOQIARSA-N 2 1 399.501 3.791 20 0 GHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414868473 850460258 /nfs/dbraw/zinc/46/02/58/850460258.db2.gz APLNZVXFNMNCHJ-UHFFFAOYSA-N 2 1 389.425 3.760 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1F ZINC000504928870 850465831 /nfs/dbraw/zinc/46/58/31/850465831.db2.gz DZVPBUWFPGDTAX-GCJKJVERSA-N 2 1 385.527 3.864 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426440 850508871 /nfs/dbraw/zinc/50/88/71/850508871.db2.gz IBOLAJKOUOIMBB-NRFANRHFSA-N 3 1 393.560 3.782 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435426440 850508878 /nfs/dbraw/zinc/50/88/78/850508878.db2.gz IBOLAJKOUOIMBB-NRFANRHFSA-N 3 1 393.560 3.782 20 0 GHADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000435448642 850537459 /nfs/dbraw/zinc/53/74/59/850537459.db2.gz YTTXEUPYRUFFOD-FQEVSTJZSA-N 2 1 384.520 3.857 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000505116336 850617273 /nfs/dbraw/zinc/61/72/73/850617273.db2.gz ZMPNTIAZXNPHFQ-FQEVSTJZSA-N 2 1 387.474 3.844 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 ZINC000515054378 850631812 /nfs/dbraw/zinc/63/18/12/850631812.db2.gz FVHYSVCKKRACFG-QRWLVFNGSA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 ZINC000515054378 850631819 /nfs/dbraw/zinc/63/18/19/850631819.db2.gz FVHYSVCKKRACFG-QRWLVFNGSA-N 2 1 375.513 3.889 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000435786723 850855613 /nfs/dbraw/zinc/85/56/13/850855613.db2.gz JCCMHFGUNWMAKV-UHFFFAOYSA-N 2 1 382.552 3.829 20 0 GHADMP Fc1ccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000513820109 850912803 /nfs/dbraw/zinc/91/28/03/850912803.db2.gz JNXZAOFFGHEIIH-UHFFFAOYSA-N 2 1 389.540 3.884 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000519353467 850963032 /nfs/dbraw/zinc/96/30/32/850963032.db2.gz NAQYNNSDZUPHOT-OFNKIYASSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000515383119 850971660 /nfs/dbraw/zinc/97/16/60/850971660.db2.gz SARYGLPLISSJJP-SJBKTWHCSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000515383119 850971664 /nfs/dbraw/zinc/97/16/64/850971664.db2.gz SARYGLPLISSJJP-SJBKTWHCSA-N 2 1 385.596 3.661 20 0 GHADMP CCC1(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021507 851155257 /nfs/dbraw/zinc/15/52/57/851155257.db2.gz AJDCOFVTJXRRIN-CTNGQTDRSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1ncsc1C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000436056994 851155611 /nfs/dbraw/zinc/15/56/11/851155611.db2.gz XDJIJAXRAWUNAT-HNNXBMFYSA-N 2 1 392.956 3.545 20 0 GHADMP Cc1ncsc1C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000436056994 851155619 /nfs/dbraw/zinc/15/56/19/851155619.db2.gz XDJIJAXRAWUNAT-HNNXBMFYSA-N 2 1 392.956 3.545 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)C1 ZINC000514154902 851329043 /nfs/dbraw/zinc/32/90/43/851329043.db2.gz ZZWHSTYKGDOYFF-FXAWDEMLSA-N 2 1 394.991 3.754 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H](c4ccccc4)C3)c2)C1 ZINC000436226541 851339800 /nfs/dbraw/zinc/33/98/00/851339800.db2.gz IVLRVMCXXIMVNT-VXNXHJTFSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N1CCc2ccccc21 ZINC000515757055 851437858 /nfs/dbraw/zinc/43/78/58/851437858.db2.gz OAUQCSNVDLHINQ-UXHICEINSA-N 2 1 391.559 3.986 20 0 GHADMP CC(C)(C)OC(=O)NC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167970416 851472318 /nfs/dbraw/zinc/47/23/18/851472318.db2.gz KJSNYFJOKGHKJA-YQQQUEKLSA-N 2 1 377.573 3.819 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000436344030 851489772 /nfs/dbraw/zinc/48/97/72/851489772.db2.gz KVIWLJKLZGVPLX-FQEVSTJZSA-N 2 1 388.556 3.546 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000180633513 862258269 /nfs/dbraw/zinc/25/82/69/862258269.db2.gz XZXDSYRSCXYIJI-BGYRXZFFSA-N 2 1 396.579 3.798 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000515877294 851595142 /nfs/dbraw/zinc/59/51/42/851595142.db2.gz DWUGFBRRUJQHBI-FCHUYYIVSA-N 2 1 383.580 3.586 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000473733129 851784014 /nfs/dbraw/zinc/78/40/14/851784014.db2.gz CEBIBZXLFBNHBY-FCHUYYIVSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000473733129 851784016 /nfs/dbraw/zinc/78/40/16/851784016.db2.gz CEBIBZXLFBNHBY-FCHUYYIVSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000473733129 851784022 /nfs/dbraw/zinc/78/40/22/851784022.db2.gz CEBIBZXLFBNHBY-FCHUYYIVSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)c1 ZINC000473733232 851787507 /nfs/dbraw/zinc/78/75/07/851787507.db2.gz KXEXQUXXEFKSAM-YADHBBJMSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000473733232 851787510 /nfs/dbraw/zinc/78/75/10/851787510.db2.gz KXEXQUXXEFKSAM-YADHBBJMSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000473733232 851787514 /nfs/dbraw/zinc/78/75/14/851787514.db2.gz KXEXQUXXEFKSAM-YADHBBJMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000489068377 851981602 /nfs/dbraw/zinc/98/16/02/851981602.db2.gz HQICDKUJKLDLFD-DZCCDHAISA-N 2 1 398.595 3.584 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000489079001 851985570 /nfs/dbraw/zinc/98/55/70/851985570.db2.gz SEKSGUCJLSKWBU-OALUTQOASA-N 2 1 386.584 3.632 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC[C@@](C)(c4ccccc4)C3)cc2)CC1 ZINC000438087712 852009353 /nfs/dbraw/zinc/00/93/53/852009353.db2.gz MOEJTVXPECYSIC-UKILVPOCSA-N 2 1 391.559 3.674 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(Br)cc2)c2cccs2)CC1 ZINC000517525612 852061127 /nfs/dbraw/zinc/06/11/27/852061127.db2.gz NMXHJPQUFKUSSU-QGZVFWFLSA-N 2 1 394.382 3.589 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000517627242 852170150 /nfs/dbraw/zinc/17/01/50/852170150.db2.gz SVBTWSFVWWMPCY-UHFFFAOYSA-N 2 1 381.564 3.820 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000517627242 852170158 /nfs/dbraw/zinc/17/01/58/852170158.db2.gz SVBTWSFVWWMPCY-UHFFFAOYSA-N 2 1 381.564 3.820 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]2C1 ZINC001167962566 852198665 /nfs/dbraw/zinc/19/86/65/852198665.db2.gz YQTPPLOANQIDGM-RBDVMBOBSA-N 2 1 389.584 3.627 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)c2)cc1 ZINC000516215296 852301783 /nfs/dbraw/zinc/30/17/83/852301783.db2.gz OMRPKTDRLWCOTI-VGSWGCGISA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@H]3C)c2)cc1 ZINC000516215296 852301795 /nfs/dbraw/zinc/30/17/95/852301795.db2.gz OMRPKTDRLWCOTI-VGSWGCGISA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000516215296 852301805 /nfs/dbraw/zinc/30/18/05/852301805.db2.gz OMRPKTDRLWCOTI-VGSWGCGISA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000516215296 852301813 /nfs/dbraw/zinc/30/18/13/852301813.db2.gz OMRPKTDRLWCOTI-VGSWGCGISA-N 2 1 381.520 3.720 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516242706 852316517 /nfs/dbraw/zinc/31/65/17/852316517.db2.gz OICUSTGNRPAVQK-ZCNNSNEGSA-N 2 1 388.600 3.692 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000516242706 852316525 /nfs/dbraw/zinc/31/65/25/852316525.db2.gz OICUSTGNRPAVQK-ZCNNSNEGSA-N 2 1 388.600 3.692 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000516242706 852316531 /nfs/dbraw/zinc/31/65/31/852316531.db2.gz OICUSTGNRPAVQK-ZCNNSNEGSA-N 2 1 388.600 3.692 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCC[C@@H]1C ZINC000506916574 852330263 /nfs/dbraw/zinc/33/02/63/852330263.db2.gz JSZGPWBDVKDLCC-ANULTFPQSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000506916574 852330268 /nfs/dbraw/zinc/33/02/68/852330268.db2.gz JSZGPWBDVKDLCC-ANULTFPQSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCCC[C@@H]1C ZINC000506916574 852330272 /nfs/dbraw/zinc/33/02/72/852330272.db2.gz JSZGPWBDVKDLCC-ANULTFPQSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506937442 852365430 /nfs/dbraw/zinc/36/54/30/852365430.db2.gz AJDXBIAQCXPTRV-YLJYHZDGSA-N 2 1 375.582 3.684 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000506948984 852374598 /nfs/dbraw/zinc/37/45/98/852374598.db2.gz HOIYIKUUNUDREO-QHAWAJNXSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506948984 852374610 /nfs/dbraw/zinc/37/46/10/852374610.db2.gz HOIYIKUUNUDREO-QHAWAJNXSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506948984 852374619 /nfs/dbraw/zinc/37/46/19/852374619.db2.gz HOIYIKUUNUDREO-QHAWAJNXSA-N 2 1 392.632 3.793 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506946624 852393148 /nfs/dbraw/zinc/39/31/48/852393148.db2.gz RFIBQGVUCCYTMD-UHFFFAOYSA-N 2 1 399.373 3.638 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)CC1 ZINC000516310813 852410670 /nfs/dbraw/zinc/41/06/70/852410670.db2.gz OALBHWWOTSDWNN-UHFFFAOYSA-N 2 1 391.987 3.585 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000489511100 852420512 /nfs/dbraw/zinc/42/05/12/852420512.db2.gz IEIZEDFMKYXHSU-HXUWFJFHSA-N 2 1 379.976 3.725 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489631571 852497856 /nfs/dbraw/zinc/49/78/56/852497856.db2.gz DLLRNKVDDQPASY-DEOSSOPVSA-N 2 1 396.575 3.887 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000505914481 852569096 /nfs/dbraw/zinc/56/90/96/852569096.db2.gz ZLEGPSAVAQUAOE-AKIFATBCSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000505914481 852569100 /nfs/dbraw/zinc/56/91/00/852569100.db2.gz ZLEGPSAVAQUAOE-AKIFATBCSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000505914481 852569106 /nfs/dbraw/zinc/56/91/06/852569106.db2.gz ZLEGPSAVAQUAOE-AKIFATBCSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000246733382 852628640 /nfs/dbraw/zinc/62/86/40/852628640.db2.gz NZNUOCOOBCQQJH-PKTZIBPZSA-N 2 1 377.532 3.641 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000246733382 852628642 /nfs/dbraw/zinc/62/86/42/852628642.db2.gz NZNUOCOOBCQQJH-PKTZIBPZSA-N 2 1 377.532 3.641 20 0 GHADMP Cn1c(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc2c1cccc2F ZINC000180860157 862377550 /nfs/dbraw/zinc/37/75/50/862377550.db2.gz OKMWQXLVIDJZFM-UHFFFAOYSA-N 2 1 398.501 3.691 20 0 GHADMP COc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000490005057 852699818 /nfs/dbraw/zinc/69/98/18/852699818.db2.gz OBJPZNCFSKPWGH-HXUWFJFHSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000490005057 852699822 /nfs/dbraw/zinc/69/98/22/852699822.db2.gz OBJPZNCFSKPWGH-HXUWFJFHSA-N 2 1 384.520 3.986 20 0 GHADMP c1c(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCCC2 ZINC000516590571 852771352 /nfs/dbraw/zinc/77/13/52/852771352.db2.gz PSULJTNOMNARSM-ACIOBRDBSA-N 2 1 378.564 4.000 20 0 GHADMP c1c(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCCC2 ZINC000516590571 852771356 /nfs/dbraw/zinc/77/13/56/852771356.db2.gz PSULJTNOMNARSM-ACIOBRDBSA-N 2 1 378.564 4.000 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc(Br)c1OC(F)F ZINC000414953773 852865198 /nfs/dbraw/zinc/86/51/98/852865198.db2.gz RXPMZFDVLZHGGD-PWSUYJOCSA-N 2 1 393.272 3.679 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000507388079 852872472 /nfs/dbraw/zinc/87/24/72/852872472.db2.gz DLDYZGXLCNMLBA-YLJYHZDGSA-N 2 1 392.975 3.508 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000509574619 852982121 /nfs/dbraw/zinc/98/21/21/852982121.db2.gz SJXYNVMSIIVUHL-FPOVZHCZSA-N 2 1 398.551 3.626 20 0 GHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000509574623 852982340 /nfs/dbraw/zinc/98/23/40/852982340.db2.gz SJXYNVMSIIVUHL-TZIWHRDSSA-N 2 1 398.551 3.626 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1cc(C)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000516770655 852982849 /nfs/dbraw/zinc/98/28/49/852982849.db2.gz GBFKMOYVTUTVTO-QFIPXVFZSA-N 2 1 396.579 3.933 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1cc(C)ccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000516770655 852982854 /nfs/dbraw/zinc/98/28/54/852982854.db2.gz GBFKMOYVTUTVTO-QFIPXVFZSA-N 2 1 396.579 3.933 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1 ZINC000516866364 853095194 /nfs/dbraw/zinc/09/51/94/853095194.db2.gz SDNLDYSSKBKEFA-RBBKRZOGSA-N 2 1 383.511 3.625 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000516881374 853112226 /nfs/dbraw/zinc/11/22/26/853112226.db2.gz YKFDIRXKAVPWKI-UHFFFAOYSA-N 2 1 398.595 3.512 20 0 GHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414904489 853112331 /nfs/dbraw/zinc/11/23/31/853112331.db2.gz LSOYUHVNWVWBEP-QGZVFWFLSA-N 2 1 390.325 3.655 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000438986275 853161262 /nfs/dbraw/zinc/16/12/62/853161262.db2.gz LJFQGFUDESHVQI-MRXNPFEDSA-N 2 1 382.508 3.677 20 0 GHADMP CC[C@H](C)Oc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000518394370 853299961 /nfs/dbraw/zinc/29/99/61/853299961.db2.gz RSBGAQYUEPKXJJ-SFHVURJKSA-N 2 1 387.568 3.999 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1 ZINC001167987760 853312503 /nfs/dbraw/zinc/31/25/03/853312503.db2.gz MYNGIANONMMQIT-OKCRPCIYSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167987760 853312512 /nfs/dbraw/zinc/31/25/12/853312512.db2.gz MYNGIANONMMQIT-OKCRPCIYSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167987760 853312522 /nfs/dbraw/zinc/31/25/22/853312522.db2.gz MYNGIANONMMQIT-OKCRPCIYSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)cc2F)no1 ZINC001212142928 853363785 /nfs/dbraw/zinc/36/37/85/853363785.db2.gz XBUBHAIIOKAPMM-AWEZNQCLSA-N 2 1 385.281 3.806 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ncc(C(F)(F)F)cc1Cl ZINC000925023108 853392020 /nfs/dbraw/zinc/39/20/20/853392020.db2.gz KWOQYSRQEOVNMU-TZMCWYRMSA-N 2 1 379.854 3.641 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000519720231 853404834 /nfs/dbraw/zinc/40/48/34/853404834.db2.gz YZHKTHFINLEOCQ-KSSFIOAISA-N 2 1 391.357 3.927 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000519720231 853404849 /nfs/dbraw/zinc/40/48/49/853404849.db2.gz YZHKTHFINLEOCQ-KSSFIOAISA-N 2 1 391.357 3.927 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](NC4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964224 853462264 /nfs/dbraw/zinc/46/22/64/853462264.db2.gz NWIZCWPQVVXWMY-HUHFOSNCSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964224 853462271 /nfs/dbraw/zinc/46/22/71/853462271.db2.gz NWIZCWPQVVXWMY-HUHFOSNCSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964224 853462273 /nfs/dbraw/zinc/46/22/73/853462273.db2.gz NWIZCWPQVVXWMY-HUHFOSNCSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964224 853462278 /nfs/dbraw/zinc/46/22/78/853462278.db2.gz NWIZCWPQVVXWMY-HUHFOSNCSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964224 853462283 /nfs/dbraw/zinc/46/22/83/853462283.db2.gz NWIZCWPQVVXWMY-HUHFOSNCSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964224 853462288 /nfs/dbraw/zinc/46/22/88/853462288.db2.gz NWIZCWPQVVXWMY-HUHFOSNCSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964224 853462292 /nfs/dbraw/zinc/46/22/92/853462292.db2.gz NWIZCWPQVVXWMY-HUHFOSNCSA-N 3 1 379.592 3.892 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000519782492 853488194 /nfs/dbraw/zinc/48/81/94/853488194.db2.gz UOALYGCJJLSINC-MOPGFXCFSA-N 2 1 377.617 3.904 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nc1 ZINC000518683466 853632180 /nfs/dbraw/zinc/63/21/80/853632180.db2.gz IIRDFVMKUAHTHW-IBGZPJMESA-N 2 1 380.536 3.740 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378309 853785681 /nfs/dbraw/zinc/78/56/81/853785681.db2.gz MBXIHUQTYWRQLZ-UHFFFAOYSA-N 2 1 386.584 3.596 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407728 853871086 /nfs/dbraw/zinc/87/10/86/853871086.db2.gz KCTBEUBZFNFMDK-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407728 853871089 /nfs/dbraw/zinc/87/10/89/853871089.db2.gz KCTBEUBZFNFMDK-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407728 853871093 /nfs/dbraw/zinc/87/10/93/853871093.db2.gz KCTBEUBZFNFMDK-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000520166210 853919453 /nfs/dbraw/zinc/91/94/53/853919453.db2.gz IKOAXTNCALZSSB-HXUWFJFHSA-N 2 1 387.543 3.515 20 0 GHADMP CC[N@H+](C)[C@H](c1nc(-c2cccc(OCC[NH+](C)C)c2)no1)c1ccccc1 ZINC000571683683 853984898 /nfs/dbraw/zinc/98/48/98/853984898.db2.gz KCPUSKSISUJNKP-FQEVSTJZSA-N 2 1 380.492 3.718 20 0 GHADMP CC[N@@H+](C)[C@H](c1nc(-c2cccc(OCC[NH+](C)C)c2)no1)c1ccccc1 ZINC000571683683 853984902 /nfs/dbraw/zinc/98/49/02/853984902.db2.gz KCPUSKSISUJNKP-FQEVSTJZSA-N 2 1 380.492 3.718 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000058470700 862523669 /nfs/dbraw/zinc/52/36/69/862523669.db2.gz ZCEHSXXITYPGQM-UHFFFAOYSA-N 2 1 395.494 3.815 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609448 854093281 /nfs/dbraw/zinc/09/32/81/854093281.db2.gz SSQRURSZFHGMTL-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)[C@H]2C1 ZINC000571796978 854158143 /nfs/dbraw/zinc/15/81/43/854158143.db2.gz LIWCICFOSFUQBC-XNOWSJKESA-N 2 1 383.580 3.666 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000441377587 854161410 /nfs/dbraw/zinc/16/14/10/854161410.db2.gz CFRYTFVYHREEJH-CMKODMSKSA-N 2 1 384.568 3.574 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000588641288 854323651 /nfs/dbraw/zinc/32/36/51/854323651.db2.gz BKXJXXUBUZUEJO-ICSRJNTNSA-N 2 1 377.548 3.664 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000572047556 854343928 /nfs/dbraw/zinc/34/39/28/854343928.db2.gz MOYIHLOULHWWKU-HUVFLSCGSA-N 2 1 391.559 3.596 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000572047556 854343935 /nfs/dbraw/zinc/34/39/35/854343935.db2.gz MOYIHLOULHWWKU-HUVFLSCGSA-N 2 1 391.559 3.596 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)[C@H](C)C1 ZINC000156818951 854349537 /nfs/dbraw/zinc/34/95/37/854349537.db2.gz OGQCONNEWRIHBV-DXIQSLLYSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)CC2=O)s1 ZINC001167994196 854436961 /nfs/dbraw/zinc/43/69/61/854436961.db2.gz YVROAXJHPSBCGK-QNLWVQNGSA-N 2 1 399.604 3.891 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)s1 ZINC001167994196 854436962 /nfs/dbraw/zinc/43/69/62/854436962.db2.gz YVROAXJHPSBCGK-QNLWVQNGSA-N 2 1 399.604 3.891 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)s1 ZINC001167994196 854436964 /nfs/dbraw/zinc/43/69/64/854436964.db2.gz YVROAXJHPSBCGK-QNLWVQNGSA-N 2 1 399.604 3.891 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994432 854436974 /nfs/dbraw/zinc/43/69/74/854436974.db2.gz CYUJEKLKOUNGFD-MZSJESITSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994432 854436976 /nfs/dbraw/zinc/43/69/76/854436976.db2.gz CYUJEKLKOUNGFD-MZSJESITSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994432 854436977 /nfs/dbraw/zinc/43/69/77/854436977.db2.gz CYUJEKLKOUNGFD-MZSJESITSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994432 854436979 /nfs/dbraw/zinc/43/69/79/854436979.db2.gz CYUJEKLKOUNGFD-MZSJESITSA-N 2 1 377.573 3.769 20 0 GHADMP COC1CC[NH+](C2(CN[C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CCCC2)CC1 ZINC000572467966 854537181 /nfs/dbraw/zinc/53/71/81/854537181.db2.gz PZOCXBAHRWBKSH-GMAHTHKFSA-N 2 1 385.596 3.835 20 0 GHADMP CCCc1cc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c2ccccc2[nH+]1 ZINC000124949616 854651648 /nfs/dbraw/zinc/65/16/48/854651648.db2.gz DUJQZXVMPAFJIB-UHFFFAOYSA-N 2 1 394.563 3.568 20 0 GHADMP CCC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168389631 854822544 /nfs/dbraw/zinc/82/25/44/854822544.db2.gz UTYOXOUXJHZNRX-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CCC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168389631 854822556 /nfs/dbraw/zinc/82/25/56/854822556.db2.gz UTYOXOUXJHZNRX-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CC[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999655 855221173 /nfs/dbraw/zinc/22/11/73/855221173.db2.gz QJQNDEDZIDVOAZ-IBGZPJMESA-N 2 1 379.548 3.938 20 0 GHADMP CC[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999655 855221177 /nfs/dbraw/zinc/22/11/77/855221177.db2.gz QJQNDEDZIDVOAZ-IBGZPJMESA-N 2 1 379.548 3.938 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H](C)C1 ZINC000624106779 862658611 /nfs/dbraw/zinc/65/86/11/862658611.db2.gz OHMHODBQSMZSIE-OFAXGOBFSA-N 2 1 377.532 3.704 20 0 GHADMP CN(C)c1ccccc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000590302643 855356494 /nfs/dbraw/zinc/35/64/94/855356494.db2.gz KVWNGAJOSABYGB-UHFFFAOYSA-N 2 1 397.563 3.532 20 0 GHADMP O=C(Nc1ccccc1)NC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001753 855495427 /nfs/dbraw/zinc/49/54/27/855495427.db2.gz HDEXSPOVSMOYIK-CBQGHPETSA-N 2 1 382.552 3.678 20 0 GHADMP Cc1ccc(-c2ccc(C[NH2+]Cc3cccc(C(=O)NCC[NH+](C)C)c3)o2)cc1 ZINC000237180092 855569767 /nfs/dbraw/zinc/56/97/67/855569767.db2.gz BVZVWESVXMXZLB-UHFFFAOYSA-N 2 1 391.515 3.836 20 0 GHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(I)cc1 ZINC000590779704 855581046 /nfs/dbraw/zinc/58/10/46/855581046.db2.gz LHBICOOYDCQQSJ-NPYXIHBLSA-N 2 1 384.305 3.957 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000590786951 855585547 /nfs/dbraw/zinc/58/55/47/855585547.db2.gz ZSIHYDHIKZASCJ-NRFANRHFSA-N 2 1 376.585 3.776 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000590812311 855600149 /nfs/dbraw/zinc/60/01/49/855600149.db2.gz RVRHQFCBYJFUOB-HSZRJFAPSA-N 2 1 379.548 3.921 20 0 GHADMP C[N@@H+](CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CCCC1 ZINC000591408709 855963476 /nfs/dbraw/zinc/96/34/76/855963476.db2.gz LGTVAWCSCVZKDX-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1OC ZINC000482147702 862743502 /nfs/dbraw/zinc/74/35/02/862743502.db2.gz RJRVOLWVYKEQJS-WBVHZDCISA-N 2 1 381.948 3.777 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465799191 856066369 /nfs/dbraw/zinc/06/63/69/856066369.db2.gz UDPBINHDWLNQHZ-PXNSSMCTSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465799191 856066371 /nfs/dbraw/zinc/06/63/71/856066371.db2.gz UDPBINHDWLNQHZ-PXNSSMCTSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000465799191 856066373 /nfs/dbraw/zinc/06/63/73/856066373.db2.gz UDPBINHDWLNQHZ-PXNSSMCTSA-N 2 1 392.613 3.695 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000765910494 856071880 /nfs/dbraw/zinc/07/18/80/856071880.db2.gz ZXHODDVZXKEINE-JVPBZIDWSA-N 2 1 389.367 3.753 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1ccccc1Cl ZINC000591545332 856101122 /nfs/dbraw/zinc/10/11/22/856101122.db2.gz BRVCQRODJWWIJB-PXNSSMCTSA-N 2 1 392.975 3.603 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000542846525 856117042 /nfs/dbraw/zinc/11/70/42/856117042.db2.gz MINVASSMBOMFAD-CTUHWIOQSA-N 2 1 380.532 3.511 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC2CC[NH+](CC)CC2)CC1)CC(C)C ZINC000568781633 856120637 /nfs/dbraw/zinc/12/06/37/856120637.db2.gz PCUIEYMUEWKGJI-UHFFFAOYSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)o1 ZINC000674308148 856152891 /nfs/dbraw/zinc/15/28/91/856152891.db2.gz RQVNNPLKHFIQJK-AZUAARDMSA-N 2 1 383.536 3.904 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591579591 856161131 /nfs/dbraw/zinc/16/11/31/856161131.db2.gz XRFZLFFVLLIHIC-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C[NH+]1CCCC1 ZINC000303856340 856185044 /nfs/dbraw/zinc/18/50/44/856185044.db2.gz FQRWLGJZLSFDJY-NRFANRHFSA-N 2 1 379.548 3.537 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000536484804 856219548 /nfs/dbraw/zinc/21/95/48/856219548.db2.gz GMNJVSLXXRZWEY-OAQYLSRUSA-N 2 1 391.559 3.852 20 0 GHADMP CC(C)c1ccc(CN(C(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C2CC2)cc1 ZINC000485340571 856383459 /nfs/dbraw/zinc/38/34/59/856383459.db2.gz KRLAJZBRAXHKMM-JTHBVZDNSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C2CC2)cc1 ZINC000485340571 856383465 /nfs/dbraw/zinc/38/34/65/856383465.db2.gz KRLAJZBRAXHKMM-JTHBVZDNSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C2CC2)cc1 ZINC000485340571 856383474 /nfs/dbraw/zinc/38/34/74/856383474.db2.gz KRLAJZBRAXHKMM-JTHBVZDNSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C2CC2)cc1 ZINC000485340571 856383484 /nfs/dbraw/zinc/38/34/84/856383484.db2.gz KRLAJZBRAXHKMM-JTHBVZDNSA-N 2 1 383.580 3.717 20 0 GHADMP CC(C)c1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C2CC2)cc1 ZINC000485340571 856383497 /nfs/dbraw/zinc/38/34/97/856383497.db2.gz KRLAJZBRAXHKMM-JTHBVZDNSA-N 2 1 383.580 3.717 20 0 GHADMP COc1ccc([C@@H]2C[C@@H](N(c3[nH+]cccc3C)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168671143 856434035 /nfs/dbraw/zinc/43/40/35/856434035.db2.gz FGKTZXGQXJFNFT-UNMCSNQZSA-N 2 1 381.520 3.877 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000573723742 856453771 /nfs/dbraw/zinc/45/37/71/856453771.db2.gz YVZJOZYALJUSBK-NRFANRHFSA-N 2 1 380.532 3.858 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000172537790 856471725 /nfs/dbraw/zinc/47/17/25/856471725.db2.gz HNRRGBWAKGNPJL-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172537790 856471737 /nfs/dbraw/zinc/47/17/37/856471737.db2.gz HNRRGBWAKGNPJL-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172537790 856471742 /nfs/dbraw/zinc/47/17/42/856471742.db2.gz HNRRGBWAKGNPJL-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000427693516 856550870 /nfs/dbraw/zinc/55/08/70/856550870.db2.gz FWQRHAKXAPLYSW-RPWUZVMVSA-N 2 1 393.575 3.741 20 0 GHADMP Cc1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000485476578 856620518 /nfs/dbraw/zinc/62/05/18/856620518.db2.gz FHONVHHZGFAFJG-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000507951551 856736728 /nfs/dbraw/zinc/73/67/28/856736728.db2.gz CYOHEIDNCAQGTL-PFRQMTDMSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000507951551 856736737 /nfs/dbraw/zinc/73/67/37/856736737.db2.gz CYOHEIDNCAQGTL-PFRQMTDMSA-N 2 1 377.960 3.854 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000045788970 856766249 /nfs/dbraw/zinc/76/62/49/856766249.db2.gz PZIRLMFKXFLGEQ-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)C1 ZINC000658135864 856767121 /nfs/dbraw/zinc/76/71/21/856767121.db2.gz FPTZHUWFLPVTLZ-QPTUXGOLSA-N 2 1 380.532 3.511 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)c1 ZINC000482246420 862836735 /nfs/dbraw/zinc/83/67/35/862836735.db2.gz QHNYNGKUMKMREW-UZUQRXQVSA-N 2 1 386.511 3.806 20 0 GHADMP FC(F)(F)c1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000181327504 862838192 /nfs/dbraw/zinc/83/81/92/862838192.db2.gz GKURKGFRTNYVSA-UHFFFAOYSA-N 2 1 393.453 3.776 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cs2)cc1 ZINC000592492329 856898495 /nfs/dbraw/zinc/89/84/95/856898495.db2.gz YMTQNGZNWOMJSU-RBUKOAKNSA-N 2 1 399.560 3.808 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCCC1)c1ccccc1 ZINC000485782004 857088371 /nfs/dbraw/zinc/08/83/71/857088371.db2.gz ZVKYFHFLBWOTQT-ILWGZMRPSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccsc2)CC1 ZINC000485887268 857192774 /nfs/dbraw/zinc/19/27/74/857192774.db2.gz GLPMSLDRYUJNGB-PGRDOPGGSA-N 2 1 397.588 3.707 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccsc2)CC1 ZINC000485887268 857192778 /nfs/dbraw/zinc/19/27/78/857192778.db2.gz GLPMSLDRYUJNGB-PGRDOPGGSA-N 2 1 397.588 3.707 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000574261341 857477447 /nfs/dbraw/zinc/47/74/47/857477447.db2.gz VHUQNSXBFXDLPO-RJGXRXQPSA-N 2 1 388.515 3.584 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000521053043 857547049 /nfs/dbraw/zinc/54/70/49/857547049.db2.gz SHKMRGKXERJTHG-LJQANCHMSA-N 2 1 379.548 3.591 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000521053043 857547055 /nfs/dbraw/zinc/54/70/55/857547055.db2.gz SHKMRGKXERJTHG-LJQANCHMSA-N 2 1 379.548 3.591 20 0 GHADMP FC(F)C(F)(F)COCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000469726800 857590476 /nfs/dbraw/zinc/59/04/76/857590476.db2.gz CDWINXAGEUGBQZ-UHFFFAOYSA-N 2 1 388.449 3.892 20 0 GHADMP C[N@@H+](CCOc1cccc(CNc2cc[nH+]c3ccccc23)c1)C1CCOCC1 ZINC000521082216 857594089 /nfs/dbraw/zinc/59/40/89/857594089.db2.gz QYSXZQIYNAOFOK-UHFFFAOYSA-N 2 1 391.515 3.758 20 0 GHADMP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+]1CCCC[C@H]1C ZINC000064251185 857689252 /nfs/dbraw/zinc/68/92/52/857689252.db2.gz OKOTWPJMRSVTJR-MSOLQXFVSA-N 2 1 392.613 3.522 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428249625 857751045 /nfs/dbraw/zinc/75/10/45/857751045.db2.gz TVFGPQZEZOCZTQ-WXFUMESZSA-N 2 1 394.559 3.838 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000671741877 857759298 /nfs/dbraw/zinc/75/92/98/857759298.db2.gz ITZNEUJSHUPIQY-QRVBRYPASA-N 2 1 397.519 3.854 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4[nH]c(=O)oc4c3)CC2)oc1C ZINC000671747111 857823222 /nfs/dbraw/zinc/82/32/22/857823222.db2.gz JHXQHRWBOOBNPD-AWEZNQCLSA-N 2 1 384.480 3.701 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000605331897 862960228 /nfs/dbraw/zinc/96/02/28/862960228.db2.gz NWKRWDSAMUSBJN-IBGZPJMESA-N 2 1 375.900 3.522 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000486581254 857894363 /nfs/dbraw/zinc/89/43/63/857894363.db2.gz MECUITYREWSEQX-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594295946 858032122 /nfs/dbraw/zinc/03/21/22/858032122.db2.gz BGLMZIQUMWOPMV-DHIUTWEWSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181705005 862977827 /nfs/dbraw/zinc/97/78/27/862977827.db2.gz VGRSFJCJPWUFNA-GOSISDBHSA-N 2 1 386.353 3.657 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)ccc2oc1=O ZINC000624204624 862981906 /nfs/dbraw/zinc/98/19/06/862981906.db2.gz CZOWVIXFXKYLIF-PWRODBHTSA-N 2 1 391.515 3.522 20 0 GHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521531279 858077923 /nfs/dbraw/zinc/07/79/23/858077923.db2.gz WEPGLKRVPKVTMF-LJQANCHMSA-N 2 1 399.510 3.747 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000442937365 858242296 /nfs/dbraw/zinc/24/22/96/858242296.db2.gz BWZWWVSAJBBQFZ-ZJSXRUAMSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000443006255 858305610 /nfs/dbraw/zinc/30/56/10/858305610.db2.gz HYIHKHXGYRHKGW-PZJWPPBQSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000443006255 858305616 /nfs/dbraw/zinc/30/56/16/858305616.db2.gz HYIHKHXGYRHKGW-PZJWPPBQSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1ccccc1[C@@H]([C@@H](C)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2)[NH+](C)C ZINC000443014547 858312182 /nfs/dbraw/zinc/31/21/82/858312182.db2.gz PEAAYNLJQSGTIQ-VGOFRKELSA-N 2 1 386.609 3.999 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000443061352 858330214 /nfs/dbraw/zinc/33/02/14/858330214.db2.gz RHMSPNIOGIHLII-KDOFPFPSSA-N 2 1 384.351 3.718 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065059 858333262 /nfs/dbraw/zinc/33/32/62/858333262.db2.gz ZIJYHYJQNDGDTQ-RBUKOAKNSA-N 2 1 381.520 3.653 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067400 858334472 /nfs/dbraw/zinc/33/44/72/858334472.db2.gz GLXCAUHWJOGVME-RYUDHWBXSA-N 2 1 377.838 3.747 20 0 GHADMP CN(C)[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608610 863015408 /nfs/dbraw/zinc/01/54/08/863015408.db2.gz SDXAUPZJOVNGTJ-FYYLOGMGSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608610 863015422 /nfs/dbraw/zinc/01/54/22/863015422.db2.gz SDXAUPZJOVNGTJ-FYYLOGMGSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001128608610 863015433 /nfs/dbraw/zinc/01/54/33/863015433.db2.gz SDXAUPZJOVNGTJ-FYYLOGMGSA-N 2 1 399.966 3.971 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000521873728 858390556 /nfs/dbraw/zinc/39/05/56/858390556.db2.gz LGCRZCQJUIQGKH-JOCHJYFZSA-N 2 1 395.522 3.732 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000521873728 858390562 /nfs/dbraw/zinc/39/05/62/858390562.db2.gz LGCRZCQJUIQGKH-JOCHJYFZSA-N 2 1 395.522 3.732 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)cc1 ZINC000657309320 858482854 /nfs/dbraw/zinc/48/28/54/858482854.db2.gz LMLUOJROPVTNMK-XMMPIXPASA-N 2 1 380.532 3.651 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)CC[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000575064629 858509430 /nfs/dbraw/zinc/50/94/30/858509430.db2.gz HBMKZASRRDDRDZ-HKUYNNGSSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CC[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000575064629 858509432 /nfs/dbraw/zinc/50/94/32/858509432.db2.gz HBMKZASRRDDRDZ-HKUYNNGSSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CC[NH+]3CCCC[C@@H]3C)C2)s1 ZINC000575064629 858509435 /nfs/dbraw/zinc/50/94/35/858509435.db2.gz HBMKZASRRDDRDZ-HKUYNNGSSA-N 2 1 377.598 3.601 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000522044025 858565806 /nfs/dbraw/zinc/56/58/06/858565806.db2.gz JAVKVNMBNMMVBM-WOJBJXKFSA-N 2 1 388.600 3.696 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000522078148 858588782 /nfs/dbraw/zinc/58/87/82/858588782.db2.gz NNHNAFOWBBCCHD-DNVFCKCGSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)(C)c1ccccc1 ZINC000482645990 858718969 /nfs/dbraw/zinc/71/89/69/858718969.db2.gz YDRUIBUXGZEHDK-UGKGYDQZSA-N 2 1 393.575 3.840 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181967637 863065963 /nfs/dbraw/zinc/06/59/63/863065963.db2.gz YCGHEQPYLUCSDW-KDURUIRLSA-N 2 1 382.589 3.710 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000676716225 858775338 /nfs/dbraw/zinc/77/53/38/858775338.db2.gz SIZQJNZCAHJBPT-PCCBWWKXSA-N 2 1 387.568 3.514 20 0 GHADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000183578376 858776613 /nfs/dbraw/zinc/77/66/13/858776613.db2.gz LSASDCNPVLYOKL-BETUJISGSA-N 2 1 391.503 3.792 20 0 GHADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000183578376 858776616 /nfs/dbraw/zinc/77/66/16/858776616.db2.gz LSASDCNPVLYOKL-BETUJISGSA-N 2 1 391.503 3.792 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)Nc2ccccc2)cc1 ZINC000183679693 858794877 /nfs/dbraw/zinc/79/48/77/858794877.db2.gz APDGNJJMIQETLC-CVEARBPZSA-N 2 1 391.475 3.568 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000522230310 858857641 /nfs/dbraw/zinc/85/76/41/858857641.db2.gz FUPPGPFKMRQYFH-UXHICEINSA-N 2 1 386.584 3.680 20 0 GHADMP C[NH+](C)CC(C)(C)CNc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001168762099 858905261 /nfs/dbraw/zinc/90/52/61/858905261.db2.gz BPXMVFUHDQMBCG-UHFFFAOYSA-N 2 1 377.609 3.743 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C\c3ccc(F)cc3F)C2)ccn1 ZINC000856551552 881369519 /nfs/dbraw/zinc/36/95/19/881369519.db2.gz UKCFCPGZORNVOJ-NYPGBQQYSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)ccn1 ZINC000856551552 881369538 /nfs/dbraw/zinc/36/95/38/881369538.db2.gz UKCFCPGZORNVOJ-NYPGBQQYSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)ccn1 ZINC000856551552 881369556 /nfs/dbraw/zinc/36/95/56/881369556.db2.gz UKCFCPGZORNVOJ-NYPGBQQYSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000443598639 859029029 /nfs/dbraw/zinc/02/90/29/859029029.db2.gz ASEODWHNRKLAQV-UHFFFAOYSA-N 2 1 393.478 3.943 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCOc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023359 859101238 /nfs/dbraw/zinc/10/12/38/859101238.db2.gz VTBDNWQSYGQMPW-ORVPSHMPSA-N 2 1 380.532 3.688 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185660394 859113061 /nfs/dbraw/zinc/11/30/61/859113061.db2.gz HSPFWTXQRHKSGG-LSDHHAIUSA-N 2 1 383.989 3.603 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185660394 859113063 /nfs/dbraw/zinc/11/30/63/859113063.db2.gz HSPFWTXQRHKSGG-LSDHHAIUSA-N 2 1 383.989 3.603 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185684341 859115774 /nfs/dbraw/zinc/11/57/74/859115774.db2.gz YTJHTXZSMIVPCC-GJZGRUSLSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684341 859115780 /nfs/dbraw/zinc/11/57/80/859115780.db2.gz YTJHTXZSMIVPCC-GJZGRUSLSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000185679871 859115802 /nfs/dbraw/zinc/11/58/02/859115802.db2.gz WQRJYELAKBPURS-XYJFISCASA-N 2 1 377.960 3.587 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCc1ccc(Cl)cc1 ZINC000185679871 859115811 /nfs/dbraw/zinc/11/58/11/859115811.db2.gz WQRJYELAKBPURS-XYJFISCASA-N 2 1 377.960 3.587 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCc1ccccc1Cl ZINC000185705601 859118980 /nfs/dbraw/zinc/11/89/80/859118980.db2.gz CGJXFVUEPQZLOS-BQFCYCMXSA-N 2 1 377.960 3.587 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCc1ccccc1Cl ZINC000185705601 859118984 /nfs/dbraw/zinc/11/89/84/859118984.db2.gz CGJXFVUEPQZLOS-BQFCYCMXSA-N 2 1 377.960 3.587 20 0 GHADMP C[C@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738129 859124059 /nfs/dbraw/zinc/12/40/59/859124059.db2.gz WGXDEZLZLDBSLE-PZJWPPBQSA-N 2 1 396.583 3.753 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185768382 859127156 /nfs/dbraw/zinc/12/71/56/859127156.db2.gz ZZAGMIKGRYBFEF-VDZJLULYSA-N 2 1 384.486 3.851 20 0 GHADMP C[C@@H]1CC([NH2+][C@@H](CO)COCc2ccccc2)C[C@@H](C)N1Cc1ccccc1 ZINC001168024121 859139767 /nfs/dbraw/zinc/13/97/67/859139767.db2.gz ZZZMZVYYLGFPSU-REHUZNOOSA-N 2 1 382.548 3.595 20 0 GHADMP C[C@@H]1CC([NH2+][C@@H](CO)COCc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024121 859139774 /nfs/dbraw/zinc/13/97/74/859139774.db2.gz ZZZMZVYYLGFPSU-REHUZNOOSA-N 2 1 382.548 3.595 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000483146530 859180945 /nfs/dbraw/zinc/18/09/45/859180945.db2.gz QUBXGWGPCKBVBL-ZWKOTPCHSA-N 2 1 383.540 3.805 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000483155779 859187183 /nfs/dbraw/zinc/18/71/83/859187183.db2.gz HXVMQKLACBJMEI-NJDAHSKKSA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000483155779 859187190 /nfs/dbraw/zinc/18/71/90/859187190.db2.gz HXVMQKLACBJMEI-NJDAHSKKSA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000483155779 859187194 /nfs/dbraw/zinc/18/71/94/859187194.db2.gz HXVMQKLACBJMEI-NJDAHSKKSA-N 2 1 375.601 3.754 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187143612 859217619 /nfs/dbraw/zinc/21/76/19/859217619.db2.gz POYFBLKASNLJEC-CQSZACIVSA-N 2 1 385.346 3.615 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000483211799 859224877 /nfs/dbraw/zinc/22/48/77/859224877.db2.gz HJUNPRNBKCQOBP-JOCHJYFZSA-N 2 1 395.591 3.690 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000483211799 859224889 /nfs/dbraw/zinc/22/48/89/859224889.db2.gz HJUNPRNBKCQOBP-JOCHJYFZSA-N 2 1 395.591 3.690 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000483211799 859224902 /nfs/dbraw/zinc/22/49/02/859224902.db2.gz HJUNPRNBKCQOBP-JOCHJYFZSA-N 2 1 395.591 3.690 20 0 GHADMP Cc1ncsc1C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000923339150 859235309 /nfs/dbraw/zinc/23/53/09/859235309.db2.gz PYBVBJYVIDFUPH-SIKLNZKXSA-N 2 1 395.572 3.620 20 0 GHADMP Cc1ncsc1C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H]1CC[NH2+]C1 ZINC000923339150 859235316 /nfs/dbraw/zinc/23/53/16/859235316.db2.gz PYBVBJYVIDFUPH-SIKLNZKXSA-N 2 1 395.572 3.620 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1F ZINC000597057530 859254393 /nfs/dbraw/zinc/25/43/93/859254393.db2.gz MNECZPVFYFMKIV-HNAYVOBHSA-N 2 1 376.497 3.847 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1F ZINC000597057530 859254399 /nfs/dbraw/zinc/25/43/99/859254399.db2.gz MNECZPVFYFMKIV-HNAYVOBHSA-N 2 1 376.497 3.847 20 0 GHADMP O=C(C[N@@H+](CC1CC1)CC1CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000483281917 859268875 /nfs/dbraw/zinc/26/88/75/859268875.db2.gz OJMVXYDAMSARLD-UHFFFAOYSA-N 2 1 387.593 3.686 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000483298777 859278873 /nfs/dbraw/zinc/27/88/73/859278873.db2.gz WDHXEIMZVMLSTK-OXJNMPFZSA-N 2 1 389.490 3.683 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000483298777 859278884 /nfs/dbraw/zinc/27/88/84/859278884.db2.gz WDHXEIMZVMLSTK-OXJNMPFZSA-N 2 1 389.490 3.683 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000597216152 859353256 /nfs/dbraw/zinc/35/32/56/859353256.db2.gz ULHGFWRDNSQRMY-FQEVSTJZSA-N 2 1 378.605 3.593 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000626016188 859356511 /nfs/dbraw/zinc/35/65/11/859356511.db2.gz KTCOTTXHOAWOJS-PDIWNELESA-N 2 1 388.515 3.703 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000626016188 859356518 /nfs/dbraw/zinc/35/65/18/859356518.db2.gz KTCOTTXHOAWOJS-PDIWNELESA-N 2 1 388.515 3.703 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000856558507 881418549 /nfs/dbraw/zinc/41/85/49/881418549.db2.gz INRANRVACIIWIG-GOSISDBHSA-N 2 1 386.565 3.520 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000856558507 881418639 /nfs/dbraw/zinc/41/86/39/881418639.db2.gz INRANRVACIIWIG-GOSISDBHSA-N 2 1 386.565 3.520 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000856558507 881418682 /nfs/dbraw/zinc/41/86/82/881418682.db2.gz INRANRVACIIWIG-GOSISDBHSA-N 2 1 386.565 3.520 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc4c(s3)CCC4)C2)ccn1 ZINC000856558507 881418699 /nfs/dbraw/zinc/41/86/99/881418699.db2.gz INRANRVACIIWIG-GOSISDBHSA-N 2 1 386.565 3.520 20 0 GHADMP COC1(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)CCCCC1 ZINC000856558408 881424728 /nfs/dbraw/zinc/42/47/28/881424728.db2.gz HFIYTTBWGSVMMR-OAQYLSRUSA-N 2 1 375.557 3.724 20 0 GHADMP COC1(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)CCCCC1 ZINC000856558408 881424733 /nfs/dbraw/zinc/42/47/33/881424733.db2.gz HFIYTTBWGSVMMR-OAQYLSRUSA-N 2 1 375.557 3.724 20 0 GHADMP COC1(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)CCCCC1 ZINC000856558408 881424735 /nfs/dbraw/zinc/42/47/35/881424735.db2.gz HFIYTTBWGSVMMR-OAQYLSRUSA-N 2 1 375.557 3.724 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000626062442 859436458 /nfs/dbraw/zinc/43/64/58/859436458.db2.gz SHIGPLAMKGZBPM-HNNXBMFYSA-N 2 1 375.463 3.876 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3scnc3C3CC3)C2)ccn1 ZINC000856558497 881423050 /nfs/dbraw/zinc/42/30/50/881423050.db2.gz IGHGGVNMDMCLBA-IBGZPJMESA-N 2 1 386.565 3.909 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3scnc3C3CC3)C2)ccn1 ZINC000856558497 881423126 /nfs/dbraw/zinc/42/31/26/881423126.db2.gz IGHGGVNMDMCLBA-IBGZPJMESA-N 2 1 386.565 3.909 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3scnc3C3CC3)C2)ccn1 ZINC000856558497 881423178 /nfs/dbraw/zinc/42/31/78/881423178.db2.gz IGHGGVNMDMCLBA-IBGZPJMESA-N 2 1 386.565 3.909 20 0 GHADMP Cc1cccn2c(C[NH+]3CC[C@@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)cnc12 ZINC000856559380 881433123 /nfs/dbraw/zinc/43/31/23/881433123.db2.gz GMGMRQVRADNGTE-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccn2c(C[N@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cnc12 ZINC000856559380 881433151 /nfs/dbraw/zinc/43/31/51/881433151.db2.gz GMGMRQVRADNGTE-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccn2c(C[N@@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cnc12 ZINC000856559380 881433207 /nfs/dbraw/zinc/43/32/07/881433207.db2.gz GMGMRQVRADNGTE-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000483725692 859561758 /nfs/dbraw/zinc/56/17/58/859561758.db2.gz NKRDVNNNNCMCOF-KNQAVFIVSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000764714300 859578733 /nfs/dbraw/zinc/57/87/33/859578733.db2.gz DUCUJEDUWKYORM-UGKGYDQZSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000764714300 859578743 /nfs/dbraw/zinc/57/87/43/859578743.db2.gz DUCUJEDUWKYORM-UGKGYDQZSA-N 2 1 377.532 3.956 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1C ZINC000856559199 881438347 /nfs/dbraw/zinc/43/83/47/881438347.db2.gz NXKKSLSLTVVOMG-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1C ZINC000856559199 881438348 /nfs/dbraw/zinc/43/83/48/881438348.db2.gz NXKKSLSLTVVOMG-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1C ZINC000856559199 881438359 /nfs/dbraw/zinc/43/83/59/881438359.db2.gz NXKKSLSLTVVOMG-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000466483960 859707785 /nfs/dbraw/zinc/70/77/85/859707785.db2.gz WUCXWIBYMZGVCI-PKOBYXMFSA-N 2 1 392.613 3.527 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000474272745 859742256 /nfs/dbraw/zinc/74/22/56/859742256.db2.gz JPVFSDJVXLRGOC-UHFFFAOYSA-N 2 1 388.531 3.582 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000466501843 859759508 /nfs/dbraw/zinc/75/95/08/859759508.db2.gz GIAWLRSNKRONHR-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)CC2)nc(C)[nH+]1 ZINC000162275218 859832479 /nfs/dbraw/zinc/83/24/79/859832479.db2.gz NXQMQKOQMWDAAK-KRWDZBQOSA-N 2 1 393.535 3.540 20 0 GHADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1C ZINC000856562162 881471816 /nfs/dbraw/zinc/47/18/16/881471816.db2.gz ZFGCKJKOUNQMRG-JOCHJYFZSA-N 2 1 399.583 3.798 20 0 GHADMP CCCn1nc(C)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856562162 881471822 /nfs/dbraw/zinc/47/18/22/881471822.db2.gz ZFGCKJKOUNQMRG-JOCHJYFZSA-N 2 1 399.583 3.798 20 0 GHADMP CCCn1nc(C)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856562162 881471829 /nfs/dbraw/zinc/47/18/29/881471829.db2.gz ZFGCKJKOUNQMRG-JOCHJYFZSA-N 2 1 399.583 3.798 20 0 GHADMP C[C@H]1CC([NH2+]Cc2cncn2C2CCOCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033045 859872142 /nfs/dbraw/zinc/87/21/42/859872142.db2.gz JPCXNFVBUYIWFT-OALUTQOASA-N 2 1 382.552 3.766 20 0 GHADMP C[C@@H]1CC([NH2+]Cc2cncn2C2CCOCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033046 859873308 /nfs/dbraw/zinc/87/33/08/859873308.db2.gz JPCXNFVBUYIWFT-RTBURBONSA-N 2 1 382.552 3.766 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000765266612 859883672 /nfs/dbraw/zinc/88/36/72/859883672.db2.gz PIPJKGCTSNKOIJ-RXVVDRJESA-N 2 1 379.504 3.786 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000765266612 859883679 /nfs/dbraw/zinc/88/36/79/859883679.db2.gz PIPJKGCTSNKOIJ-RXVVDRJESA-N 2 1 379.504 3.786 20 0 GHADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(-c4cccs4)n3)C2)[C@@H]1C(C)C ZINC000922392577 859894435 /nfs/dbraw/zinc/89/44/35/859894435.db2.gz DXIDKMHYOQXFQE-ZTRFORPCSA-N 2 1 391.606 3.831 20 0 GHADMP O=C(c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCCC1 ZINC000765372659 859937786 /nfs/dbraw/zinc/93/77/86/859937786.db2.gz SZERXVRBZOXOOZ-UHFFFAOYSA-N 2 1 391.559 3.719 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000598032516 860012061 /nfs/dbraw/zinc/01/20/61/860012061.db2.gz IXTFZHRXSHXYID-CVDCTZTESA-N 2 1 377.532 3.814 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602592675 860134146 /nfs/dbraw/zinc/13/41/46/860134146.db2.gz JVRLYAWNHUXRNC-UHFFFAOYSA-N 2 1 386.540 3.505 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602592675 860134152 /nfs/dbraw/zinc/13/41/52/860134152.db2.gz JVRLYAWNHUXRNC-UHFFFAOYSA-N 2 1 386.540 3.505 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474492082 860214255 /nfs/dbraw/zinc/21/42/55/860214255.db2.gz GRWMWUVKDKOJKA-WIYYLYMNSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474492082 860214262 /nfs/dbraw/zinc/21/42/62/860214262.db2.gz GRWMWUVKDKOJKA-WIYYLYMNSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474492082 860214268 /nfs/dbraw/zinc/21/42/68/860214268.db2.gz GRWMWUVKDKOJKA-WIYYLYMNSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474492082 860214279 /nfs/dbraw/zinc/21/42/79/860214279.db2.gz GRWMWUVKDKOJKA-WIYYLYMNSA-N 2 1 375.532 3.561 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535656178 860262950 /nfs/dbraw/zinc/26/29/50/860262950.db2.gz VGZFSRNZMHGYOG-URLQWDBASA-N 2 1 398.954 3.501 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000536044104 860267204 /nfs/dbraw/zinc/26/72/04/860267204.db2.gz VENFWEGDGFEGQW-PKTZIBPZSA-N 2 1 392.547 3.618 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000536044104 860267215 /nfs/dbraw/zinc/26/72/15/860267215.db2.gz VENFWEGDGFEGQW-PKTZIBPZSA-N 2 1 392.547 3.618 20 0 GHADMP CCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000765646157 860377554 /nfs/dbraw/zinc/37/75/54/860377554.db2.gz UAUDLEICMQSFQH-QUCCMNQESA-N 2 1 375.557 3.744 20 0 GHADMP CCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000765646157 860377556 /nfs/dbraw/zinc/37/75/56/860377556.db2.gz UAUDLEICMQSFQH-QUCCMNQESA-N 2 1 375.557 3.744 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000173611401 860442178 /nfs/dbraw/zinc/44/21/78/860442178.db2.gz BEVGERHYJVJQOX-FQEVSTJZSA-N 2 1 394.563 3.633 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000173611401 860442181 /nfs/dbraw/zinc/44/21/81/860442181.db2.gz BEVGERHYJVJQOX-FQEVSTJZSA-N 2 1 394.563 3.633 20 0 GHADMP Oc1ccc(Br)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904474935 860466636 /nfs/dbraw/zinc/46/66/36/860466636.db2.gz MTYOBFJMVZCRMX-MJGOQNOKSA-N 2 1 389.293 3.500 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000904571834 860518481 /nfs/dbraw/zinc/51/84/81/860518481.db2.gz IBHJYMNTUMUPJP-UHFFFAOYSA-N 2 1 384.499 3.759 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000904571834 860518489 /nfs/dbraw/zinc/51/84/89/860518489.db2.gz IBHJYMNTUMUPJP-UHFFFAOYSA-N 2 1 384.499 3.759 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000509036039 860647094 /nfs/dbraw/zinc/64/70/94/860647094.db2.gz YXWIRLPWBNDAMB-FXAWDEMLSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000509036039 860647096 /nfs/dbraw/zinc/64/70/96/860647096.db2.gz YXWIRLPWBNDAMB-FXAWDEMLSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000509036039 860647097 /nfs/dbraw/zinc/64/70/97/860647097.db2.gz YXWIRLPWBNDAMB-FXAWDEMLSA-N 2 1 394.991 3.706 20 0 GHADMP C(CC[NH+]1CCOC[C@H](C2CCC2)C1)CC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429017114 860702622 /nfs/dbraw/zinc/70/26/22/860702622.db2.gz CFUODXHASJNAHA-DHIUTWEWSA-N 2 1 378.601 3.654 20 0 GHADMP CCC[N@H+](C[C@H](O)c1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477190 881587361 /nfs/dbraw/zinc/58/73/61/881587361.db2.gz PDKCZPDTHADYPW-NRFANRHFSA-N 2 1 386.515 3.647 20 0 GHADMP CCC[N@@H+](C[C@H](O)c1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477190 881587374 /nfs/dbraw/zinc/58/73/74/881587374.db2.gz PDKCZPDTHADYPW-NRFANRHFSA-N 2 1 386.515 3.647 20 0 GHADMP CCC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477237 881587614 /nfs/dbraw/zinc/58/76/14/881587614.db2.gz RJXHJABANMUJGP-OAQYLSRUSA-N 2 1 386.515 3.647 20 0 GHADMP CCC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477237 881587626 /nfs/dbraw/zinc/58/76/26/881587626.db2.gz RJXHJABANMUJGP-OAQYLSRUSA-N 2 1 386.515 3.647 20 0 GHADMP CC(C)Oc1cc(Cl)c(C[NH2+]CCCCN2CC[NH+](C)CC2)cc1Cl ZINC000623356744 860914320 /nfs/dbraw/zinc/91/43/20/860914320.db2.gz DRWQFIKQJRNBJX-UHFFFAOYSA-N 2 1 388.383 3.898 20 0 GHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000623394097 860991146 /nfs/dbraw/zinc/99/11/46/860991146.db2.gz ZIFAUCYOVACPOJ-FPOVZHCZSA-N 2 1 386.584 3.856 20 0 GHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000623394097 860991157 /nfs/dbraw/zinc/99/11/57/860991157.db2.gz ZIFAUCYOVACPOJ-FPOVZHCZSA-N 2 1 386.584 3.856 20 0 GHADMP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000623394099 860991723 /nfs/dbraw/zinc/99/17/23/860991723.db2.gz ZIFAUCYOVACPOJ-TZIWHRDSSA-N 2 1 386.584 3.856 20 0 GHADMP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000623394099 860991735 /nfs/dbraw/zinc/99/17/35/860991735.db2.gz ZIFAUCYOVACPOJ-TZIWHRDSSA-N 2 1 386.584 3.856 20 0 GHADMP COc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccc1Cl ZINC000623414600 861028648 /nfs/dbraw/zinc/02/86/48/861028648.db2.gz JYNKNXLUEGCUPR-UHFFFAOYSA-N 2 1 377.916 3.955 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000481321416 861037534 /nfs/dbraw/zinc/03/75/34/861037534.db2.gz OTZMXNNJMITKFD-OFVILXPXSA-N 2 1 393.575 3.519 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000599321546 861061559 /nfs/dbraw/zinc/06/15/59/861061559.db2.gz IYCDBMFTYRDTRN-GBXCKJPGSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000599321546 861061568 /nfs/dbraw/zinc/06/15/68/861061568.db2.gz IYCDBMFTYRDTRN-GBXCKJPGSA-N 2 1 391.559 3.695 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000899558079 861147449 /nfs/dbraw/zinc/14/74/49/861147449.db2.gz ACBPGJNSSDLVCW-FQEVSTJZSA-N 2 1 398.595 3.970 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000120525593 881621542 /nfs/dbraw/zinc/62/15/42/881621542.db2.gz VSPLQJIZPZACAA-UHFFFAOYSA-N 2 1 397.567 3.799 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182249136 863164130 /nfs/dbraw/zinc/16/41/30/863164130.db2.gz XXYPXLYFPMQMKO-QPPBQGQZSA-N 2 1 380.532 3.819 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000183158054 863491431 /nfs/dbraw/zinc/49/14/31/863491431.db2.gz CEBUSTSFSOJZMU-HZPDHXFCSA-N 2 1 394.544 3.866 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168050958 863508747 /nfs/dbraw/zinc/50/87/47/863508747.db2.gz DUQJYFQJRXGTHF-BBIADKPPSA-N 2 1 383.580 3.809 20 0 GHADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606540343 863672697 /nfs/dbraw/zinc/67/26/97/863672697.db2.gz JAIUXEFWFCYCIY-JKSUJKDBSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606540343 863672703 /nfs/dbraw/zinc/67/27/03/863672703.db2.gz JAIUXEFWFCYCIY-JKSUJKDBSA-N 2 1 387.351 3.683 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1CC[NH+](C)CC1 ZINC000606635530 863726112 /nfs/dbraw/zinc/72/61/12/863726112.db2.gz KPDVNCZBHAITQH-RBUKOAKNSA-N 2 1 386.584 3.591 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606660053 863752592 /nfs/dbraw/zinc/75/25/92/863752592.db2.gz NMGUXVOTMPTVFX-GOTSBHOMSA-N 2 1 398.595 3.559 20 0 GHADMP CCOC(=O)C1(F)CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168052546 863764122 /nfs/dbraw/zinc/76/41/22/863764122.db2.gz LBDTXUOTSPTAEA-OPVJXMOQSA-N 2 1 376.516 3.795 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168052546 863764129 /nfs/dbraw/zinc/76/41/29/863764129.db2.gz LBDTXUOTSPTAEA-OPVJXMOQSA-N 2 1 376.516 3.795 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)c1coc(C[NH3+])c1)Cc1ccccc1 ZINC000444263101 863771927 /nfs/dbraw/zinc/77/19/27/863771927.db2.gz FVPMENKBXWREKP-UHFFFAOYSA-N 2 1 377.488 3.513 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000158665913 863906193 /nfs/dbraw/zinc/90/61/93/863906193.db2.gz BIYIAIFCSXKYON-QGZVFWFLSA-N 2 1 383.517 3.695 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000103303284 863949100 /nfs/dbraw/zinc/94/91/00/863949100.db2.gz DQGQZLHAGGIUNE-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C1=CC[NH+](C)CC1 ZINC000667609938 863954371 /nfs/dbraw/zinc/95/43/71/863954371.db2.gz UUWYKSKODVYVKD-AWEZNQCLSA-N 2 1 399.564 3.662 20 0 GHADMP C[C@H](NC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1)C1=CC[N@H+](C)CC1 ZINC000667609938 863954376 /nfs/dbraw/zinc/95/43/76/863954376.db2.gz UUWYKSKODVYVKD-AWEZNQCLSA-N 2 1 399.564 3.662 20 0 GHADMP C[C@H](NC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1)C1=CC[N@@H+](C)CC1 ZINC000667609938 863954379 /nfs/dbraw/zinc/95/43/79/863954379.db2.gz UUWYKSKODVYVKD-AWEZNQCLSA-N 2 1 399.564 3.662 20 0 GHADMP COCCc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898516760 864072622 /nfs/dbraw/zinc/07/26/22/864072622.db2.gz CCDXJCAMBXYWRK-HSALFYBXSA-N 2 1 385.577 3.722 20 0 GHADMP COc1cc(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1O ZINC000621391520 864130447 /nfs/dbraw/zinc/13/04/47/864130447.db2.gz ISAVHNGSWUXPKV-UHFFFAOYSA-N 2 1 398.547 3.639 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000607284228 864241824 /nfs/dbraw/zinc/24/18/24/864241824.db2.gz PGCAYEBEOFHCQC-YADHBBJMSA-N 2 1 383.511 3.599 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621659154 864336631 /nfs/dbraw/zinc/33/66/31/864336631.db2.gz ASYXMBJUWFRREQ-ADLFWFRXSA-N 2 1 381.923 3.510 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621659154 864336646 /nfs/dbraw/zinc/33/66/46/864336646.db2.gz ASYXMBJUWFRREQ-ADLFWFRXSA-N 2 1 381.923 3.510 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000621647035 864348280 /nfs/dbraw/zinc/34/82/80/864348280.db2.gz BTFJURLTJPKSBO-XLIONFOSSA-N 2 1 377.960 3.591 20 0 GHADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000159242959 864439203 /nfs/dbraw/zinc/43/92/03/864439203.db2.gz SSRLAZBRRUNKIK-PKTZIBPZSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000159242959 864439217 /nfs/dbraw/zinc/43/92/17/864439217.db2.gz SSRLAZBRRUNKIK-PKTZIBPZSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000159242959 864439227 /nfs/dbraw/zinc/43/92/27/864439227.db2.gz SSRLAZBRRUNKIK-PKTZIBPZSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000159242959 864439238 /nfs/dbraw/zinc/43/92/38/864439238.db2.gz SSRLAZBRRUNKIK-PKTZIBPZSA-N 2 1 377.532 3.533 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059275 864521825 /nfs/dbraw/zinc/52/18/25/864521825.db2.gz SWICFAWUROZUCU-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059275 864521837 /nfs/dbraw/zinc/52/18/37/864521837.db2.gz SWICFAWUROZUCU-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cncnc1O[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059275 864521845 /nfs/dbraw/zinc/52/18/45/864521845.db2.gz SWICFAWUROZUCU-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cncnc1O[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059275 864521851 /nfs/dbraw/zinc/52/18/51/864521851.db2.gz SWICFAWUROZUCU-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000165416582 864670320 /nfs/dbraw/zinc/67/03/20/864670320.db2.gz STHPXAZEDWQZDM-UHFFFAOYSA-N 2 1 397.519 3.855 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166241117 864726245 /nfs/dbraw/zinc/72/62/45/864726245.db2.gz BEFGOYFUNMGGTM-ILBGXUMGSA-N 2 1 393.575 3.692 20 0 GHADMP Cc1oc2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)nc(N)c2c1C ZINC000154709173 864867582 /nfs/dbraw/zinc/86/75/82/864867582.db2.gz JHYGOAKYFKHAQO-HNNXBMFYSA-N 2 1 385.556 3.898 20 0 GHADMP Cc1oc2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)nc(N)c2c1C ZINC000154709173 864867596 /nfs/dbraw/zinc/86/75/96/864867596.db2.gz JHYGOAKYFKHAQO-HNNXBMFYSA-N 2 1 385.556 3.898 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000608007923 864900930 /nfs/dbraw/zinc/90/09/30/864900930.db2.gz VURJFXSRWNWDPL-XMMPIXPASA-N 2 1 391.559 3.822 20 0 GHADMP CCCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480620753 864981356 /nfs/dbraw/zinc/98/13/56/864981356.db2.gz ZPUXKBSBSPYOBN-IBGZPJMESA-N 2 1 379.548 3.878 20 0 GHADMP CC[C@@H]1C[C@@H](C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)CCO1 ZINC000554887100 865090587 /nfs/dbraw/zinc/09/05/87/865090587.db2.gz NLWOOXPKJLUCCP-PZJWPPBQSA-N 2 1 389.584 3.808 20 0 GHADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)CCO1 ZINC000554887100 865090593 /nfs/dbraw/zinc/09/05/93/865090593.db2.gz NLWOOXPKJLUCCP-PZJWPPBQSA-N 2 1 389.584 3.808 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000608383350 865298189 /nfs/dbraw/zinc/29/81/89/865298189.db2.gz WTHBQFRQSYBSTH-HNAYVOBHSA-N 2 1 377.916 3.829 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2c1C ZINC000301410989 865345691 /nfs/dbraw/zinc/34/56/91/865345691.db2.gz KAWWCJZOTHDGHP-PBHICJAKSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2c1C ZINC000301410989 865345707 /nfs/dbraw/zinc/34/57/07/865345707.db2.gz KAWWCJZOTHDGHP-PBHICJAKSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2c1C ZINC000301410989 865345724 /nfs/dbraw/zinc/34/57/24/865345724.db2.gz KAWWCJZOTHDGHP-PBHICJAKSA-N 2 1 387.597 3.823 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500916 865388901 /nfs/dbraw/zinc/38/89/01/865388901.db2.gz SJQXCDUWIDDUAA-HUUCEWRRSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500916 865388917 /nfs/dbraw/zinc/38/89/17/865388917.db2.gz SJQXCDUWIDDUAA-HUUCEWRRSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500916 865388933 /nfs/dbraw/zinc/38/89/33/865388933.db2.gz SJQXCDUWIDDUAA-HUUCEWRRSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000608500916 865388949 /nfs/dbraw/zinc/38/89/49/865388949.db2.gz SJQXCDUWIDDUAA-HUUCEWRRSA-N 2 1 375.340 3.539 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000667779908 865516386 /nfs/dbraw/zinc/51/63/86/865516386.db2.gz LLWFHPKDFNTJCW-FQEVSTJZSA-N 2 1 380.536 3.830 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Br)ccc2OC)CC1 ZINC000608746718 865631378 /nfs/dbraw/zinc/63/13/78/865631378.db2.gz XINQBIHUIRBFBG-UHFFFAOYSA-N 2 1 399.373 3.781 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000671254173 865732174 /nfs/dbraw/zinc/73/21/74/865732174.db2.gz SXCXPSXEKIYOHH-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)ccc1C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000671254173 865732181 /nfs/dbraw/zinc/73/21/81/865732181.db2.gz SXCXPSXEKIYOHH-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP c1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000671254173 865732184 /nfs/dbraw/zinc/73/21/84/865732184.db2.gz SXCXPSXEKIYOHH-PSWAGMNNSA-N 2 1 384.564 3.692 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481164312 865902054 /nfs/dbraw/zinc/90/20/54/865902054.db2.gz GYIQWAYKWOBIIB-MZYLBHOOSA-N 2 1 382.548 3.543 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H](C)C1 ZINC000481166786 865910083 /nfs/dbraw/zinc/91/00/83/865910083.db2.gz KIYYZUYOEXODIK-SIKLNZKXSA-N 2 1 392.559 3.601 20 0 GHADMP CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486229 865912151 /nfs/dbraw/zinc/91/21/51/865912151.db2.gz YXVLBBKUEJFHGZ-FQEVSTJZSA-N 2 1 377.536 3.621 20 0 GHADMP CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486229 865912159 /nfs/dbraw/zinc/91/21/59/865912159.db2.gz YXVLBBKUEJFHGZ-FQEVSTJZSA-N 2 1 377.536 3.621 20 0 GHADMP CC[NH+](Cc1cnc2c(c1)c(C)nn2C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486229 865912166 /nfs/dbraw/zinc/91/21/66/865912166.db2.gz YXVLBBKUEJFHGZ-FQEVSTJZSA-N 2 1 377.536 3.621 20 0 GHADMP CC[NH+](Cc1cnc2c(c1)c(C)nn2C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486229 865912176 /nfs/dbraw/zinc/91/21/76/865912176.db2.gz YXVLBBKUEJFHGZ-FQEVSTJZSA-N 2 1 377.536 3.621 20 0 GHADMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184538 865947133 /nfs/dbraw/zinc/94/71/33/865947133.db2.gz CWWKMAIUPIRJEA-SELNLUPBSA-N 2 1 397.538 3.673 20 0 GHADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184538 865947138 /nfs/dbraw/zinc/94/71/38/865947138.db2.gz CWWKMAIUPIRJEA-SELNLUPBSA-N 2 1 397.538 3.673 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000555380591 866034483 /nfs/dbraw/zinc/03/44/83/866034483.db2.gz YMQJFKIZYLIGBW-GMKZXUHWSA-N 2 1 382.523 3.716 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000555380591 866034494 /nfs/dbraw/zinc/03/44/94/866034494.db2.gz YMQJFKIZYLIGBW-GMKZXUHWSA-N 2 1 382.523 3.716 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000555380591 866034509 /nfs/dbraw/zinc/03/45/09/866034509.db2.gz YMQJFKIZYLIGBW-GMKZXUHWSA-N 2 1 382.523 3.716 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000478565508 866266958 /nfs/dbraw/zinc/26/69/58/866266958.db2.gz NJZRCNDYBSSBFP-ZWBXUGMZSA-N 2 1 395.950 3.849 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000478565508 866266970 /nfs/dbraw/zinc/26/69/70/866266970.db2.gz NJZRCNDYBSSBFP-ZWBXUGMZSA-N 2 1 395.950 3.849 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000478565508 866266982 /nfs/dbraw/zinc/26/69/82/866266982.db2.gz NJZRCNDYBSSBFP-ZWBXUGMZSA-N 2 1 395.950 3.849 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)CC1 ZINC000639756657 866295644 /nfs/dbraw/zinc/29/56/44/866295644.db2.gz AXXMNRJIOJFGHA-JOCHJYFZSA-N 2 1 397.588 3.762 20 0 GHADMP C[C@H](CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000248750963 866325485 /nfs/dbraw/zinc/32/54/85/866325485.db2.gz BYIDCWBIOFEPAB-AUSIDOKSSA-N 2 1 379.548 3.667 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000534270176 866446771 /nfs/dbraw/zinc/44/67/71/866446771.db2.gz UGYZTIJHFALCTQ-IBGZPJMESA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000553169950 866895866 /nfs/dbraw/zinc/89/58/66/866895866.db2.gz JBNZWPVDHQJVFW-VWNXMTODSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000444592087 866916170 /nfs/dbraw/zinc/91/61/70/866916170.db2.gz DZZQNSVHZSZEOM-KSZLIROESA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000444592087 866916177 /nfs/dbraw/zinc/91/61/77/866916177.db2.gz DZZQNSVHZSZEOM-KSZLIROESA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000444594271 866917272 /nfs/dbraw/zinc/91/72/72/866917272.db2.gz SEWOAEAFYCBQHF-PXNSSMCTSA-N 2 1 395.551 3.615 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000444594271 866917295 /nfs/dbraw/zinc/91/72/95/866917295.db2.gz SEWOAEAFYCBQHF-PXNSSMCTSA-N 2 1 395.551 3.615 20 0 GHADMP Cc1csc(N2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4C)c(F)c3)CC2)n1 ZINC000153696726 867031206 /nfs/dbraw/zinc/03/12/06/867031206.db2.gz MLWWMRSBMBOZKY-UHFFFAOYSA-N 2 1 385.512 3.843 20 0 GHADMP Cc1cc(C)cc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000444705327 867094402 /nfs/dbraw/zinc/09/44/02/867094402.db2.gz LRCHVNMBQOJCHL-OAQYLSRUSA-N 2 1 393.575 3.905 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000153904150 867147146 /nfs/dbraw/zinc/14/71/46/867147146.db2.gz JHBBNOSVDDLGMT-OALUTQOASA-N 2 1 379.976 3.599 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)c(N2CCCC2)[nH+]1 ZINC000857173980 882083840 /nfs/dbraw/zinc/08/38/40/882083840.db2.gz CSESLJPEFDXMDR-QFIPXVFZSA-N 2 1 392.547 3.729 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)c(N2CCCC2)[nH+]1 ZINC000857173980 882083858 /nfs/dbraw/zinc/08/38/58/882083858.db2.gz CSESLJPEFDXMDR-QFIPXVFZSA-N 2 1 392.547 3.729 20 0 GHADMP CC[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000457063997 867599168 /nfs/dbraw/zinc/59/91/68/867599168.db2.gz GFJHFWJAUXNXCT-IBGZPJMESA-N 2 1 399.501 3.772 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000154862376 867635035 /nfs/dbraw/zinc/63/50/35/867635035.db2.gz CLPMUNFACBIBOV-HNNXBMFYSA-N 2 1 379.346 3.664 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000479430387 867776006 /nfs/dbraw/zinc/77/60/06/867776006.db2.gz XGJQICCHENNOPI-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479464772 867809248 /nfs/dbraw/zinc/80/92/48/867809248.db2.gz MWWWYOGMNHIJNH-VWNXMTODSA-N 2 1 389.547 3.830 20 0 GHADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857247834 882142515 /nfs/dbraw/zinc/14/25/15/882142515.db2.gz GBDKTPIRPVSUPD-JTHBVZDNSA-N 2 1 395.547 3.537 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674614 868021557 /nfs/dbraw/zinc/02/15/57/868021557.db2.gz XUKVRFLNXXCAAB-OFNKIYASSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674614 868021587 /nfs/dbraw/zinc/02/15/87/868021587.db2.gz XUKVRFLNXXCAAB-OFNKIYASSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674614 868021600 /nfs/dbraw/zinc/02/16/00/868021600.db2.gz XUKVRFLNXXCAAB-OFNKIYASSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000155674614 868021614 /nfs/dbraw/zinc/02/16/14/868021614.db2.gz XUKVRFLNXXCAAB-OFNKIYASSA-N 2 1 387.612 3.550 20 0 GHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000156211713 868288531 /nfs/dbraw/zinc/28/85/31/868288531.db2.gz DXRSASRGEUIJPF-ZWKOTPCHSA-N 2 1 389.565 3.619 20 0 GHADMP COc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000121627312 882189899 /nfs/dbraw/zinc/18/98/99/882189899.db2.gz AHZBPJRLPRZYLR-UHFFFAOYSA-N 2 1 384.524 3.833 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)[C@H]1c1cccs1 ZINC000457611606 868538607 /nfs/dbraw/zinc/53/86/07/868538607.db2.gz VCPHUZZQCPDQQI-UZLBHIALSA-N 2 1 375.582 3.512 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000457673941 868595435 /nfs/dbraw/zinc/59/54/35/868595435.db2.gz ZQYCFVWECHPCJC-FPOVZHCZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000457673941 868595445 /nfs/dbraw/zinc/59/54/45/868595445.db2.gz ZQYCFVWECHPCJC-FPOVZHCZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000457673941 868595457 /nfs/dbraw/zinc/59/54/57/868595457.db2.gz ZQYCFVWECHPCJC-FPOVZHCZSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000535397656 868687755 /nfs/dbraw/zinc/68/77/55/868687755.db2.gz HKCZUBYFKDJXBI-DHIUTWEWSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[N@@H+]1C ZINC000394557099 882253849 /nfs/dbraw/zinc/25/38/49/882253849.db2.gz HJGFTUDFWOEEIS-HZMBPMFUSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[N@H+]1C ZINC000394557099 882253859 /nfs/dbraw/zinc/25/38/59/882253859.db2.gz HJGFTUDFWOEEIS-HZMBPMFUSA-N 2 1 376.136 3.784 20 0 GHADMP CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000462243509 869082599 /nfs/dbraw/zinc/08/25/99/869082599.db2.gz DPGDYQKMUZURAV-ICSRJNTNSA-N 2 1 396.535 3.568 20 0 GHADMP CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000462243509 869082609 /nfs/dbraw/zinc/08/26/09/869082609.db2.gz DPGDYQKMUZURAV-ICSRJNTNSA-N 2 1 396.535 3.568 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000524447489 869096510 /nfs/dbraw/zinc/09/65/10/869096510.db2.gz RFTLNNRDYCZBGT-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000524447489 869096513 /nfs/dbraw/zinc/09/65/13/869096513.db2.gz RFTLNNRDYCZBGT-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000524447489 869096518 /nfs/dbraw/zinc/09/65/18/869096518.db2.gz RFTLNNRDYCZBGT-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@H](c2ccccc2)C1 ZINC000744875411 869148317 /nfs/dbraw/zinc/14/83/17/869148317.db2.gz ZSNPVDCPKKUZQX-QHCPKHFHSA-N 2 1 398.595 3.729 20 0 GHADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@H](c2ccccc2)C1 ZINC000744875411 869148320 /nfs/dbraw/zinc/14/83/20/869148320.db2.gz ZSNPVDCPKKUZQX-QHCPKHFHSA-N 2 1 398.595 3.729 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000524669144 869430322 /nfs/dbraw/zinc/43/03/22/869430322.db2.gz QYUFLDOMXDQJCC-HXUWFJFHSA-N 2 1 397.538 3.861 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000524669144 869430329 /nfs/dbraw/zinc/43/03/29/869430329.db2.gz QYUFLDOMXDQJCC-HXUWFJFHSA-N 2 1 397.538 3.861 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000524669144 869430334 /nfs/dbraw/zinc/43/03/34/869430334.db2.gz QYUFLDOMXDQJCC-HXUWFJFHSA-N 2 1 397.538 3.861 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000524669144 869430337 /nfs/dbraw/zinc/43/03/37/869430337.db2.gz QYUFLDOMXDQJCC-HXUWFJFHSA-N 2 1 397.538 3.861 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C[C@H]1C ZINC000524880084 869725932 /nfs/dbraw/zinc/72/59/32/869725932.db2.gz LDWOVKBDIWCIAQ-VIZSFHNOSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000524932547 869770963 /nfs/dbraw/zinc/77/09/63/869770963.db2.gz DTFJFMFRBUVCBD-SFHVURJKSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539825445 869832368 /nfs/dbraw/zinc/83/23/68/869832368.db2.gz SQZJAOMGTJFJOZ-XUZZJYLKSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539825445 869832382 /nfs/dbraw/zinc/83/23/82/869832382.db2.gz SQZJAOMGTJFJOZ-XUZZJYLKSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539825442 869832473 /nfs/dbraw/zinc/83/24/73/869832473.db2.gz SQZJAOMGTJFJOZ-QPPBQGQZSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539825442 869832485 /nfs/dbraw/zinc/83/24/85/869832485.db2.gz SQZJAOMGTJFJOZ-QPPBQGQZSA-N 2 1 393.575 3.723 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818347 869847784 /nfs/dbraw/zinc/84/77/84/869847784.db2.gz WSHKWKATMZNALW-HOCLYGCPSA-N 2 1 397.357 3.915 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818347 869847792 /nfs/dbraw/zinc/84/77/92/869847792.db2.gz WSHKWKATMZNALW-HOCLYGCPSA-N 2 1 397.357 3.915 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818347 869847796 /nfs/dbraw/zinc/84/77/96/869847796.db2.gz WSHKWKATMZNALW-HOCLYGCPSA-N 2 1 397.357 3.915 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818347 869847804 /nfs/dbraw/zinc/84/78/04/869847804.db2.gz WSHKWKATMZNALW-HOCLYGCPSA-N 2 1 397.357 3.915 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462745571 870010894 /nfs/dbraw/zinc/01/08/94/870010894.db2.gz PNAHYZHVXYGXJP-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462745571 870010910 /nfs/dbraw/zinc/01/09/10/870010910.db2.gz PNAHYZHVXYGXJP-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462745571 870010925 /nfs/dbraw/zinc/01/09/25/870010925.db2.gz PNAHYZHVXYGXJP-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000133715746 882367796 /nfs/dbraw/zinc/36/77/96/882367796.db2.gz DXQNIBKBUOCZLO-RDTXWAMCSA-N 2 1 387.430 3.549 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462792549 870092146 /nfs/dbraw/zinc/09/21/46/870092146.db2.gz WGBSOPBPQSAUFL-UHFFFAOYSA-N 2 1 376.541 3.621 20 0 GHADMP C[C@@H](CCc1ccsc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000462794536 870097260 /nfs/dbraw/zinc/09/72/60/870097260.db2.gz WJAURGCUJLKSKF-LAUBAEHRSA-N 2 1 385.577 3.556 20 0 GHADMP CN(C)C(=O)c1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000247992980 870258409 /nfs/dbraw/zinc/25/84/09/870258409.db2.gz JPKOQDGEHRWSQN-BJKOFHAPSA-N 2 1 391.559 3.875 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000248040144 870268534 /nfs/dbraw/zinc/26/85/34/870268534.db2.gz SPEUJRCXKCCFMF-YOSAUDMPSA-N 2 1 396.531 3.635 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000248040144 870268551 /nfs/dbraw/zinc/26/85/51/870268551.db2.gz SPEUJRCXKCCFMF-YOSAUDMPSA-N 2 1 396.531 3.635 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@H]21 ZINC000248040144 870268571 /nfs/dbraw/zinc/26/85/71/870268571.db2.gz SPEUJRCXKCCFMF-YOSAUDMPSA-N 2 1 396.531 3.635 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOCC4CCOCC4)[C@H]3C2)cc1 ZINC000248392834 870363640 /nfs/dbraw/zinc/36/36/40/870363640.db2.gz DILVEMTXBWBNKK-HJOGWXRNSA-N 2 1 386.580 3.710 20 0 GHADMP C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000248397484 870370983 /nfs/dbraw/zinc/37/09/83/870370983.db2.gz LTMVEAJUALDNIS-FOUBCARRSA-N 2 1 385.577 3.672 20 0 GHADMP C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000248397484 870371004 /nfs/dbraw/zinc/37/10/04/870371004.db2.gz LTMVEAJUALDNIS-FOUBCARRSA-N 2 1 385.577 3.672 20 0 GHADMP Cn1c(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc2cc(F)ccc21 ZINC000248406997 870384022 /nfs/dbraw/zinc/38/40/22/870384022.db2.gz CNSXMHAZDJDBFW-HMXCVIKNSA-N 2 1 392.522 3.755 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000122041096 882402996 /nfs/dbraw/zinc/40/29/96/882402996.db2.gz ZJBUVESSMOBQMP-SFHVURJKSA-N 2 1 393.547 3.532 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1OC(F)F ZINC000248435027 870418443 /nfs/dbraw/zinc/41/84/43/870418443.db2.gz FHAGQMHJXCHDQC-CRAIPNDOSA-N 2 1 376.447 3.705 20 0 GHADMP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942645 870471775 /nfs/dbraw/zinc/47/17/75/870471775.db2.gz GCAHYJONIDHASN-YLJYHZDGSA-N 2 1 383.536 3.605 20 0 GHADMP COCC[NH+]1CCC([NH2+]CC2(c3cccc(Br)c3)CCCC2)CC1 ZINC000540160386 870624204 /nfs/dbraw/zinc/62/42/04/870624204.db2.gz JTSOIVDJDUNDGD-UHFFFAOYSA-N 2 1 395.385 3.961 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)cc1 ZINC000540177702 870689648 /nfs/dbraw/zinc/68/96/48/870689648.db2.gz JHJYRRLQTHNMPN-CQSZACIVSA-N 2 1 394.441 3.775 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cnn1-c1ccccc1 ZINC000766495108 870838226 /nfs/dbraw/zinc/83/82/26/870838226.db2.gz XKWJRPKVEFMXDW-KRWDZBQOSA-N 2 1 390.535 3.907 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OCCO ZINC000463077986 870851782 /nfs/dbraw/zinc/85/17/82/870851782.db2.gz MWJXNPLWFXDVKP-CNNODRBYSA-N 2 1 398.547 3.770 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1OCCO ZINC000463077986 870851794 /nfs/dbraw/zinc/85/17/94/870851794.db2.gz MWJXNPLWFXDVKP-CNNODRBYSA-N 2 1 398.547 3.770 20 0 GHADMP c1cc(C[NH+](C[C@H]2CCOC2)C2CC2)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000249688569 870884269 /nfs/dbraw/zinc/88/42/69/870884269.db2.gz UMXFWRNKLJENQG-FGZHOGPDSA-N 2 1 384.564 3.688 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1NC(C)=O ZINC000463113826 870914622 /nfs/dbraw/zinc/91/46/22/870914622.db2.gz DQNFOHSSFRYVCV-UTKZUKDTSA-N 2 1 381.520 3.796 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1NC(C)=O ZINC000463113826 870914640 /nfs/dbraw/zinc/91/46/40/870914640.db2.gz DQNFOHSSFRYVCV-UTKZUKDTSA-N 2 1 381.520 3.796 20 0 GHADMP C[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1(C)C ZINC001193208612 870943706 /nfs/dbraw/zinc/94/37/06/870943706.db2.gz CDQSXFANHXYVDO-FXAWDEMLSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1(C)C ZINC001193208612 870943711 /nfs/dbraw/zinc/94/37/11/870943711.db2.gz CDQSXFANHXYVDO-FXAWDEMLSA-N 2 1 391.987 3.961 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946175 870955078 /nfs/dbraw/zinc/95/50/78/870955078.db2.gz YWVCFZWUGWPREZ-SFHVURJKSA-N 2 1 396.535 3.656 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1)CC1CC1 ZINC000538948305 870957626 /nfs/dbraw/zinc/95/76/26/870957626.db2.gz HVSIVWKWMOIMNS-UHFFFAOYSA-N 2 1 391.987 3.790 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000463149684 871021686 /nfs/dbraw/zinc/02/16/86/871021686.db2.gz UTBGSIMTAQWIDA-AZUAARDMSA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000463149684 871021705 /nfs/dbraw/zinc/02/17/05/871021705.db2.gz UTBGSIMTAQWIDA-AZUAARDMSA-N 2 1 398.547 3.898 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000920933782 882480770 /nfs/dbraw/zinc/48/07/70/882480770.db2.gz INZWYISTCQSVIR-IFMALSPDSA-N 2 1 378.520 3.896 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001169101253 871175493 /nfs/dbraw/zinc/17/54/93/871175493.db2.gz PWIPYXOLKXJAPX-PLACYPQZSA-N 2 1 385.552 3.563 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)C1 ZINC000539052254 871183960 /nfs/dbraw/zinc/18/39/60/871183960.db2.gz GQBNURGUAQBEEW-IAGOWNOFSA-N 2 1 375.948 3.939 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)C1 ZINC000539052254 871183963 /nfs/dbraw/zinc/18/39/63/871183963.db2.gz GQBNURGUAQBEEW-IAGOWNOFSA-N 2 1 375.948 3.939 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccccc3C(F)(F)F)CC1)C2 ZINC001169119550 871211500 /nfs/dbraw/zinc/21/15/00/871211500.db2.gz UGWWNIFBZMOMJQ-OSYLJGHBSA-N 2 1 395.469 3.525 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000539064312 871212908 /nfs/dbraw/zinc/21/29/08/871212908.db2.gz GLAYGYUOZDBWFK-MRXNPFEDSA-N 2 1 381.476 3.928 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130384 871219926 /nfs/dbraw/zinc/21/99/26/871219926.db2.gz NIKNYMSHBXOVDX-QGLKVJOYSA-N 2 1 391.600 3.971 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131775 871221533 /nfs/dbraw/zinc/22/15/33/871221533.db2.gz YZDDADWWXBHMMI-REPLKXPHSA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131775 871221553 /nfs/dbraw/zinc/22/15/53/871221553.db2.gz YZDDADWWXBHMMI-REPLKXPHSA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131775 871221568 /nfs/dbraw/zinc/22/15/68/871221568.db2.gz YZDDADWWXBHMMI-REPLKXPHSA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131775 871221587 /nfs/dbraw/zinc/22/15/87/871221587.db2.gz YZDDADWWXBHMMI-REPLKXPHSA-N 2 1 377.573 3.867 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000539071993 871257274 /nfs/dbraw/zinc/25/72/74/871257274.db2.gz ZZVRRAKQJDMBDT-YLJYHZDGSA-N 2 1 380.511 3.755 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153588 871267678 /nfs/dbraw/zinc/26/76/78/871267678.db2.gz LHETYBCNRGYJMJ-AHJNKEMKSA-N 2 1 388.527 3.985 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153588 871267709 /nfs/dbraw/zinc/26/77/09/871267709.db2.gz LHETYBCNRGYJMJ-AHJNKEMKSA-N 2 1 388.527 3.985 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153588 871267726 /nfs/dbraw/zinc/26/77/26/871267726.db2.gz LHETYBCNRGYJMJ-AHJNKEMKSA-N 2 1 388.527 3.985 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000525709573 871267985 /nfs/dbraw/zinc/26/79/85/871267985.db2.gz PKYKJTZEFRZXKE-PXNSSMCTSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000525709573 871267995 /nfs/dbraw/zinc/26/79/95/871267995.db2.gz PKYKJTZEFRZXKE-PXNSSMCTSA-N 2 1 384.520 3.855 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000252441528 871297942 /nfs/dbraw/zinc/29/79/42/871297942.db2.gz NHHPKZCDDBDAQK-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000252646009 871338916 /nfs/dbraw/zinc/33/89/16/871338916.db2.gz DEJRPBXOHATQJW-RBUKOAKNSA-N 2 1 392.613 3.504 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncncc1-c1ccccc1 ZINC000539193351 871512860 /nfs/dbraw/zinc/51/28/60/871512860.db2.gz GTZABOXGHCIPSX-UHFFFAOYSA-N 2 1 393.579 3.776 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001169467238 871543049 /nfs/dbraw/zinc/54/30/49/871543049.db2.gz LMDHHEKPHRJYIN-GOSISDBHSA-N 2 1 377.598 3.683 20 0 GHADMP CCOC(=O)C1(Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CC[NH+](C)CC1 ZINC001169495510 871553106 /nfs/dbraw/zinc/55/31/06/871553106.db2.gz JNXBOHJQTBWFPI-UHFFFAOYSA-N 2 1 393.531 3.642 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH2+][C@@H](Nc2ccc([C@H]3CCC[NH2+]3)cc2)C1 ZINC001169517586 871625192 /nfs/dbraw/zinc/62/51/92/871625192.db2.gz GWPKIFNMWUMDRZ-MZYLBHOOSA-N 2 1 393.531 3.982 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(Br)c2)[C@H](C)C1 ZINC001169554643 871634201 /nfs/dbraw/zinc/63/42/01/871634201.db2.gz LWRPWWBBTHYLOS-VQIMIIECSA-N 2 1 383.374 3.984 20 0 GHADMP O[C@@H]1c2ccccc2CC[C@H]1Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001169617121 871708744 /nfs/dbraw/zinc/70/87/44/871708744.db2.gz ASSMIFBOHFBMAD-KKLQWCBXSA-N 2 1 376.504 3.811 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCOc1ccccc1 ZINC001169666260 871735469 /nfs/dbraw/zinc/73/54/69/871735469.db2.gz IYGCLJMLYWRBAS-HSZRJFAPSA-N 2 1 382.548 3.972 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCCOc1ccccc1 ZINC001169666260 871735480 /nfs/dbraw/zinc/73/54/80/871735480.db2.gz IYGCLJMLYWRBAS-HSZRJFAPSA-N 2 1 382.548 3.972 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169710150 871793176 /nfs/dbraw/zinc/79/31/76/871793176.db2.gz MIFLIRHMURSHHJ-OAQYLSRUSA-N 2 1 391.531 3.733 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001169710150 871793189 /nfs/dbraw/zinc/79/31/89/871793189.db2.gz MIFLIRHMURSHHJ-OAQYLSRUSA-N 2 1 391.531 3.733 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCc3ccccc3C)CC2)cc1 ZINC001194633527 871840373 /nfs/dbraw/zinc/84/03/73/871840373.db2.gz VCMHMTVEVVWREY-UHFFFAOYSA-N 2 1 393.575 3.512 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCc3ccccc3C)CC2)cc1 ZINC001194633527 871840382 /nfs/dbraw/zinc/84/03/82/871840382.db2.gz VCMHMTVEVVWREY-UHFFFAOYSA-N 2 1 393.575 3.512 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCc3ccccc3C)CC2)cc1 ZINC001194633527 871840397 /nfs/dbraw/zinc/84/03/97/871840397.db2.gz VCMHMTVEVVWREY-UHFFFAOYSA-N 2 1 393.575 3.512 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCc3ccccc3C)CC2)cc1 ZINC001194633527 871840419 /nfs/dbraw/zinc/84/04/19/871840419.db2.gz VCMHMTVEVVWREY-UHFFFAOYSA-N 2 1 393.575 3.512 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169757793 871843710 /nfs/dbraw/zinc/84/37/10/871843710.db2.gz TUHBPZRJFCWMAV-HUVFLSCGSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169757793 871843732 /nfs/dbraw/zinc/84/37/32/871843732.db2.gz TUHBPZRJFCWMAV-HUVFLSCGSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169757791 871843907 /nfs/dbraw/zinc/84/39/07/871843907.db2.gz TUHBPZRJFCWMAV-FGCOXFRFSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169757791 871843930 /nfs/dbraw/zinc/84/39/30/871843930.db2.gz TUHBPZRJFCWMAV-FGCOXFRFSA-N 2 1 391.559 3.791 20 0 GHADMP Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821639 871850422 /nfs/dbraw/zinc/85/04/22/871850422.db2.gz JBCZJBLGXJNBRJ-IBGZPJMESA-N 2 1 380.536 3.956 20 0 GHADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821203 871850464 /nfs/dbraw/zinc/85/04/64/871850464.db2.gz GZEUQVYMVSFAOE-FPOVZHCZSA-N 2 1 386.584 3.800 20 0 GHADMP O=C1COc2ccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2N1 ZINC000552059988 871953394 /nfs/dbraw/zinc/95/33/94/871953394.db2.gz BSHYQYHWMPNZCX-UHFFFAOYSA-N 2 1 391.515 3.506 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000572548610 872046342 /nfs/dbraw/zinc/04/63/42/872046342.db2.gz CXHNBFGCPRVVEN-DNVJHFABSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1F ZINC000775621821 872060794 /nfs/dbraw/zinc/06/07/94/872060794.db2.gz MRYWBQIZHIHGEO-MSOLQXFVSA-N 2 1 388.487 3.855 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)s1 ZINC000552135703 872079374 /nfs/dbraw/zinc/07/93/74/872079374.db2.gz VYYAUMNMPBXSRI-NQIIRXRSSA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)s1 ZINC000552135703 872079389 /nfs/dbraw/zinc/07/93/89/872079389.db2.gz VYYAUMNMPBXSRI-NQIIRXRSSA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)s1 ZINC000552135703 872079404 /nfs/dbraw/zinc/07/94/04/872079404.db2.gz VYYAUMNMPBXSRI-NQIIRXRSSA-N 2 1 389.609 3.744 20 0 GHADMP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000477929318 872158423 /nfs/dbraw/zinc/15/84/23/872158423.db2.gz QZNQLXZNXHHIFV-IQFVJIFQSA-N 2 1 382.523 3.619 20 0 GHADMP CCC[N@H+](Cc1cnc2c(C)cccn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417569 872166883 /nfs/dbraw/zinc/16/68/83/872166883.db2.gz DJTHRSNHILFXFN-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP CCC[N@@H+](Cc1cnc2c(C)cccn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417569 872166892 /nfs/dbraw/zinc/16/68/92/872166892.db2.gz DJTHRSNHILFXFN-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)CCCn3cc[nH+]c3C)ccc21 ZINC000101664919 872176752 /nfs/dbraw/zinc/17/67/52/872176752.db2.gz BOMVAPDJXWENMW-UHFFFAOYSA-N 2 1 381.524 3.907 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1I ZINC000552258261 872310061 /nfs/dbraw/zinc/31/00/61/872310061.db2.gz BBPBVWFZAATGDP-OIISXLGYSA-N 2 1 384.305 3.562 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000552268215 872327057 /nfs/dbraw/zinc/32/70/57/872327057.db2.gz BGYQKSRMEUXZPJ-CABCVRRESA-N 2 1 376.460 3.923 20 0 GHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCc1c[nH+]cn1C ZINC000552280292 872382311 /nfs/dbraw/zinc/38/23/11/872382311.db2.gz BZVMOEUOVOCINS-NSHDSACASA-N 2 1 388.821 3.642 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CSc2ccc(C(C)(C)C)cc2)CC1 ZINC000619176687 872394110 /nfs/dbraw/zinc/39/41/10/872394110.db2.gz DQTJPQMGQPXKLO-UHFFFAOYSA-N 2 1 398.576 3.862 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093942553 872490549 /nfs/dbraw/zinc/49/05/49/872490549.db2.gz DBONFXDHKNFDBE-HXUWFJFHSA-N 2 1 380.580 3.741 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000447957068 872605886 /nfs/dbraw/zinc/60/58/86/872605886.db2.gz XDSIMIWLGQVNRT-KBRMVUAJSA-N 2 1 398.595 3.602 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447957068 872605893 /nfs/dbraw/zinc/60/58/93/872605893.db2.gz XDSIMIWLGQVNRT-KBRMVUAJSA-N 2 1 398.595 3.602 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447957068 872605900 /nfs/dbraw/zinc/60/59/00/872605900.db2.gz XDSIMIWLGQVNRT-KBRMVUAJSA-N 2 1 398.595 3.602 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000478386569 872920634 /nfs/dbraw/zinc/92/06/34/872920634.db2.gz AOEFYKOIDCFCRU-HOTGVXAUSA-N 2 1 398.954 3.598 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1)CC(C)C ZINC000478411477 872963190 /nfs/dbraw/zinc/96/31/90/872963190.db2.gz CTKCLFRDIKOSIB-UHFFFAOYSA-N 2 1 394.648 3.898 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000478421250 873001860 /nfs/dbraw/zinc/00/18/60/873001860.db2.gz QFJLDOXSUYLFEW-FQEVSTJZSA-N 2 1 392.632 3.795 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000159986050 873260647 /nfs/dbraw/zinc/26/06/47/873260647.db2.gz URMGJYNWAQPHPQ-UHFFFAOYSA-N 2 1 377.882 3.866 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCC(C)CC1 ZINC000541398869 873513451 /nfs/dbraw/zinc/51/34/51/873513451.db2.gz RSKCPUYXQNQGCL-ICSRJNTNSA-N 2 1 386.584 3.730 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000768926852 873697656 /nfs/dbraw/zinc/69/76/56/873697656.db2.gz OZURGEFJPUZLJJ-UHFFFAOYSA-N 2 1 396.579 3.624 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000541523847 873771405 /nfs/dbraw/zinc/77/14/05/873771405.db2.gz HZYWRIQCXSZBFV-QUCCMNQESA-N 2 1 386.584 3.874 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)n1cccn1 ZINC000527938664 873778893 /nfs/dbraw/zinc/77/88/93/873778893.db2.gz KSYXIFWGKLIWEM-HAGHYFMRSA-N 2 1 392.469 3.877 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000527933537 873809122 /nfs/dbraw/zinc/80/91/22/873809122.db2.gz OWQSAOWZSZETQA-LPHOPBHVSA-N 2 1 380.458 3.672 20 0 GHADMP COC1(C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000550882201 882763619 /nfs/dbraw/zinc/76/36/19/882763619.db2.gz KCKSNACPVCWEQW-UNMCSNQZSA-N 2 1 386.580 3.853 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448765724 873905987 /nfs/dbraw/zinc/90/59/87/873905987.db2.gz RWOLZADICVAZBQ-UHFFFAOYSA-N 2 1 375.476 3.548 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601532 873922077 /nfs/dbraw/zinc/92/20/77/873922077.db2.gz GTZNSIQJWGVDKT-MSYCTHLASA-N 2 1 397.607 3.985 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601532 873922084 /nfs/dbraw/zinc/92/20/84/873922084.db2.gz GTZNSIQJWGVDKT-MSYCTHLASA-N 2 1 397.607 3.985 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCc4c(Cl)cccc43)cc2)CC1 ZINC000541746949 874186709 /nfs/dbraw/zinc/18/67/09/874186709.db2.gz OWWMYXUSBPGRNN-QFIPXVFZSA-N 2 1 397.950 3.895 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476658721 882806424 /nfs/dbraw/zinc/80/64/24/882806424.db2.gz RLNOWNIJJPCCOS-PZJWPPBQSA-N 2 1 398.551 3.626 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(F)c1Br ZINC000449106965 874480544 /nfs/dbraw/zinc/48/05/44/874480544.db2.gz NYWWIOVZEDCLAT-UHFFFAOYSA-N 2 1 381.289 3.818 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449168680 874548002 /nfs/dbraw/zinc/54/80/02/874548002.db2.gz NAJMCMHPFKFYRM-UEGSCFCSSA-N 2 1 386.580 3.729 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449168680 874548009 /nfs/dbraw/zinc/54/80/09/874548009.db2.gz NAJMCMHPFKFYRM-UEGSCFCSSA-N 2 1 386.580 3.729 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C[C@H]1C ZINC000449206495 874585338 /nfs/dbraw/zinc/58/53/38/874585338.db2.gz PSBWSUFLDKPYKK-RZUBCFFCSA-N 2 1 386.580 3.887 20 0 GHADMP C[NH2+]C(C)(C)CNC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000541963555 874653009 /nfs/dbraw/zinc/65/30/09/874653009.db2.gz UEYQOVFYWLVQTN-HXUWFJFHSA-N 2 1 390.572 3.586 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CCCO1 ZINC000449282427 874667107 /nfs/dbraw/zinc/66/71/07/874667107.db2.gz HMSHGTRXAIBTGD-DYVFJYSZSA-N 2 1 385.321 3.666 20 0 GHADMP Cn1nc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c2ccccc21 ZINC000770594279 874777441 /nfs/dbraw/zinc/77/74/41/874777441.db2.gz MZYZAMPYUXJDRO-UHFFFAOYSA-N 2 1 377.536 3.963 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC001199143104 874820239 /nfs/dbraw/zinc/82/02/39/874820239.db2.gz CJVZWNAAYLHPNP-ZEQRLZLVSA-N 2 1 399.623 3.910 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC001199143104 874820248 /nfs/dbraw/zinc/82/02/48/874820248.db2.gz CJVZWNAAYLHPNP-ZEQRLZLVSA-N 2 1 399.623 3.910 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cn2nc(C(=O)OC)c3ccccc32)CC1)CC1CC1 ZINC000770688434 874821272 /nfs/dbraw/zinc/82/12/72/874821272.db2.gz ZMXUZZZAOQRRAQ-UHFFFAOYSA-N 2 1 398.551 3.614 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)CC1)CC1CC1 ZINC000770686657 874825328 /nfs/dbraw/zinc/82/53/28/874825328.db2.gz NWZAJRVMOGDRNG-CVDCTZTESA-N 2 1 383.580 3.998 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001199238800 874868043 /nfs/dbraw/zinc/86/80/43/874868043.db2.gz TZTYBAVSZAYNGK-UHFFFAOYSA-N 2 1 393.000 3.971 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)cc2)C1 ZINC001199265570 874882303 /nfs/dbraw/zinc/88/23/03/874882303.db2.gz BWRHSWHHFVQXTO-QMMLZNLJSA-N 2 1 376.516 3.642 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449492120 874925529 /nfs/dbraw/zinc/92/55/29/874925529.db2.gz BIEPDBJQTOCRSP-JOCHJYFZSA-N 2 1 385.596 3.750 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449492120 874925534 /nfs/dbraw/zinc/92/55/34/874925534.db2.gz BIEPDBJQTOCRSP-JOCHJYFZSA-N 2 1 385.596 3.750 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449492120 874925540 /nfs/dbraw/zinc/92/55/40/874925540.db2.gz BIEPDBJQTOCRSP-JOCHJYFZSA-N 2 1 385.596 3.750 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449492120 874925548 /nfs/dbraw/zinc/92/55/48/874925548.db2.gz BIEPDBJQTOCRSP-JOCHJYFZSA-N 2 1 385.596 3.750 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000449580780 875053275 /nfs/dbraw/zinc/05/32/75/875053275.db2.gz UHBJWTBOOMDULV-ROUUACIJSA-N 2 1 376.504 3.579 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@@H]3/C=C/c3cccs3)cn2)CC1 ZINC000542177789 875123773 /nfs/dbraw/zinc/12/37/73/875123773.db2.gz XUHGOSLFSBWYGB-NDDJGDGRSA-N 2 1 397.592 3.748 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@@H]3/C=C/c3cccs3)cn2)CC1 ZINC000542177789 875123782 /nfs/dbraw/zinc/12/37/82/875123782.db2.gz XUHGOSLFSBWYGB-NDDJGDGRSA-N 2 1 397.592 3.748 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623395685 875159848 /nfs/dbraw/zinc/15/98/48/875159848.db2.gz VAQRLFJBJFZYHT-HNNXBMFYSA-N 2 1 382.346 3.549 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC001199842948 875203098 /nfs/dbraw/zinc/20/30/98/875203098.db2.gz KDILSOAUYHVIIF-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC001199842948 875203108 /nfs/dbraw/zinc/20/31/08/875203108.db2.gz KDILSOAUYHVIIF-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C[C@H]1CCCN(Cc2csc(NC(=O)NC[C@H]3CC[N@H+]3C3CCCC3)n2)C1 ZINC000528879037 875207577 /nfs/dbraw/zinc/20/75/77/875207577.db2.gz VIJJRXFEULGFAA-MAUKXSAKSA-N 2 1 391.585 3.513 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2CCC(C)C)CC1 ZINC001168112398 875305345 /nfs/dbraw/zinc/30/53/45/875305345.db2.gz JAEZTZFKOKWVIB-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2CCC(C)C)CC1 ZINC001168112398 875305361 /nfs/dbraw/zinc/30/53/61/875305361.db2.gz JAEZTZFKOKWVIB-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2CCC(C)C)CC1 ZINC001168112398 875305377 /nfs/dbraw/zinc/30/53/77/875305377.db2.gz JAEZTZFKOKWVIB-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000528971587 875339550 /nfs/dbraw/zinc/33/95/50/875339550.db2.gz QGNBVFGMMPYDQQ-HXUWFJFHSA-N 2 1 388.556 3.546 20 0 GHADMP C[C@H](CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCC1 ZINC000542380119 875452840 /nfs/dbraw/zinc/45/28/40/875452840.db2.gz ZGGVJYCXGGNROK-VQIMIIECSA-N 2 1 380.964 3.506 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2C1 ZINC000491383582 875661907 /nfs/dbraw/zinc/66/19/07/875661907.db2.gz RWKWZWCBZDNVMD-DEOSSOPVSA-N 2 1 377.532 3.734 20 0 GHADMP c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201412261 875672592 /nfs/dbraw/zinc/67/25/92/875672592.db2.gz VFTPTCHEHXPODT-PWWKTKHKSA-N 2 1 395.591 3.988 20 0 GHADMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201412261 875672595 /nfs/dbraw/zinc/67/25/95/875672595.db2.gz VFTPTCHEHXPODT-PWWKTKHKSA-N 2 1 395.591 3.988 20 0 GHADMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C[C@H]2CC=CCC2)C3)nc1 ZINC001201412261 875672598 /nfs/dbraw/zinc/67/25/98/875672598.db2.gz VFTPTCHEHXPODT-PWWKTKHKSA-N 2 1 395.591 3.988 20 0 GHADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000263179003 882955077 /nfs/dbraw/zinc/95/50/77/882955077.db2.gz GNEFBHBOFHYDDW-OXQOHEQNSA-N 2 1 398.378 3.982 20 0 GHADMP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001201486593 875715517 /nfs/dbraw/zinc/71/55/17/875715517.db2.gz KMLDYDDCFQFARK-CEMLEFRQSA-N 2 1 375.601 3.776 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000529165056 875738152 /nfs/dbraw/zinc/73/81/52/875738152.db2.gz DDDZLZXHWQVUHS-TZRRMPRUSA-N 2 1 397.607 3.868 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CCCCC1 ZINC000529308269 875992407 /nfs/dbraw/zinc/99/24/07/875992407.db2.gz DOECHQGNVHDNJD-OAQYLSRUSA-N 2 1 384.568 3.535 20 0 GHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450191847 876057136 /nfs/dbraw/zinc/05/71/36/876057136.db2.gz HMQOPLKEKVBKRI-XMSQKQJNSA-N 2 1 384.568 3.520 20 0 GHADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000173327470 876322892 /nfs/dbraw/zinc/32/28/92/876322892.db2.gz CQJOZTSHPDHFSI-HKUYNNGSSA-N 2 1 380.602 3.549 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000492176712 876379283 /nfs/dbraw/zinc/37/92/83/876379283.db2.gz UJLDBDHGVZXNSB-NRFANRHFSA-N 2 1 385.502 3.840 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4ccccc4c3)c2)C1 ZINC000108420849 876466596 /nfs/dbraw/zinc/46/65/96/876466596.db2.gz NCYLVCQNGBZQIF-XMMPIXPASA-N 2 1 387.527 3.827 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2C1 ZINC000850018343 876602874 /nfs/dbraw/zinc/60/28/74/876602874.db2.gz UKCFAXFCPNBSBS-UHFFFAOYSA-N 2 1 385.552 3.696 20 0 GHADMP CCC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553298 876606603 /nfs/dbraw/zinc/60/66/03/876606603.db2.gz BJGFGXLNHYTXAG-CVDCTZTESA-N 2 1 396.579 3.939 20 0 GHADMP CCC[N@@H+](C[C@H](O)[C@@H](C)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553298 876606608 /nfs/dbraw/zinc/60/66/08/876606608.db2.gz BJGFGXLNHYTXAG-CVDCTZTESA-N 2 1 396.579 3.939 20 0 GHADMP c1ccc(CC[NH+]2CCC(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192927204 883048643 /nfs/dbraw/zinc/04/86/43/883048643.db2.gz NUWVZBIQDBZHSN-XMMPIXPASA-N 2 1 377.576 3.805 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000173858423 876687389 /nfs/dbraw/zinc/68/73/89/876687389.db2.gz RULFNWRHYBPXBT-IBGZPJMESA-N 2 1 398.551 3.585 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000173858423 876687399 /nfs/dbraw/zinc/68/73/99/876687399.db2.gz RULFNWRHYBPXBT-IBGZPJMESA-N 2 1 398.551 3.585 20 0 GHADMP CC[N@@H+](Cc1cc(OC)c2c(c1)OCCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661494 883057816 /nfs/dbraw/zinc/05/78/16/883057816.db2.gz QNMGELNMHWNLSK-FQEVSTJZSA-N 2 1 396.531 3.810 20 0 GHADMP CC[N@H+](Cc1cc(OC)c2c(c1)OCCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661494 883057833 /nfs/dbraw/zinc/05/78/33/883057833.db2.gz QNMGELNMHWNLSK-FQEVSTJZSA-N 2 1 396.531 3.810 20 0 GHADMP CC[NH+](Cc1cc(OC)c2c(c1)OCCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661494 883057852 /nfs/dbraw/zinc/05/78/52/883057852.db2.gz QNMGELNMHWNLSK-FQEVSTJZSA-N 2 1 396.531 3.810 20 0 GHADMP CC[NH+](Cc1cc(OC)c2c(c1)OCCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661494 883057868 /nfs/dbraw/zinc/05/78/68/883057868.db2.gz QNMGELNMHWNLSK-FQEVSTJZSA-N 2 1 396.531 3.810 20 0 GHADMP CN(C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174126843 876845840 /nfs/dbraw/zinc/84/58/40/876845840.db2.gz FDVYGMAJWXLZFE-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000174148731 876860344 /nfs/dbraw/zinc/86/03/44/876860344.db2.gz IGIRHVHEDVTPRY-NFBKMPQASA-N 2 1 398.595 3.546 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000492464112 876873219 /nfs/dbraw/zinc/87/32/19/876873219.db2.gz KGLXJJLNFYYMNQ-UYAOXDASSA-N 2 1 381.520 3.524 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000492464112 876873226 /nfs/dbraw/zinc/87/32/26/876873226.db2.gz KGLXJJLNFYYMNQ-UYAOXDASSA-N 2 1 381.520 3.524 20 0 GHADMP CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174189723 876888268 /nfs/dbraw/zinc/88/82/68/876888268.db2.gz ITXQKNGLNWESCH-OAQYLSRUSA-N 2 1 386.584 3.555 20 0 GHADMP O[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421704 876903023 /nfs/dbraw/zinc/90/30/23/876903023.db2.gz XPSMKNPBXQCOQA-FXAWDEMLSA-N 2 1 390.449 3.924 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCN(C(=O)C(F)(F)F)Cc2ccccc21 ZINC000850422107 876904915 /nfs/dbraw/zinc/90/49/15/876904915.db2.gz FPDYQUGPLHDNSA-VQIMIIECSA-N 2 1 397.485 3.876 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507223 876980221 /nfs/dbraw/zinc/98/02/21/876980221.db2.gz IEMQFFIASXGKAD-DYVFJYSZSA-N 2 1 394.346 3.993 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCNC3=O)cc2)cc1 ZINC000850576874 877047871 /nfs/dbraw/zinc/04/78/71/877047871.db2.gz QPUDABYTULJUMA-KRWDZBQOSA-N 2 1 389.503 3.951 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551029851 883096028 /nfs/dbraw/zinc/09/60/28/883096028.db2.gz BGZWPABYBHAEMB-ISKFKSNPSA-N 3 1 381.564 3.942 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551029851 883096043 /nfs/dbraw/zinc/09/60/43/883096043.db2.gz BGZWPABYBHAEMB-ISKFKSNPSA-N 3 1 381.564 3.942 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000648122735 877188482 /nfs/dbraw/zinc/18/84/82/877188482.db2.gz IZNAMBCIHCXMMM-HLAWJBBLSA-N 2 1 382.552 3.595 20 0 GHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000477240807 877273647 /nfs/dbraw/zinc/27/36/47/877273647.db2.gz ACKGFBVQYGIOTD-PZJWPPBQSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000477240807 877273654 /nfs/dbraw/zinc/27/36/54/877273654.db2.gz ACKGFBVQYGIOTD-PZJWPPBQSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000477240807 877273662 /nfs/dbraw/zinc/27/36/62/877273662.db2.gz ACKGFBVQYGIOTD-PZJWPPBQSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000477240807 877273675 /nfs/dbraw/zinc/27/36/75/877273675.db2.gz ACKGFBVQYGIOTD-PZJWPPBQSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)C1 ZINC000477247744 877293807 /nfs/dbraw/zinc/29/38/07/877293807.db2.gz JVIIBDYIVGFCPR-LJQANCHMSA-N 2 1 392.588 3.562 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240443 877349843 /nfs/dbraw/zinc/34/98/43/877349843.db2.gz LCEPPEAEXAUSFI-GDBMZVCRSA-N 2 1 378.467 3.583 20 0 GHADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000642630847 912230022 /nfs/dbraw/zinc/23/00/22/912230022.db2.gz NJHGWEVVGPZCHZ-PKTZIBPZSA-N 2 1 387.531 3.710 20 0 GHADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000642630847 912230055 /nfs/dbraw/zinc/23/00/55/912230055.db2.gz NJHGWEVVGPZCHZ-PKTZIBPZSA-N 2 1 387.531 3.710 20 0 GHADMP C[C@H](C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000477353838 877476865 /nfs/dbraw/zinc/47/68/65/877476865.db2.gz NGSRNRPHKLCPSY-QHAWAJNXSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000477353838 877476871 /nfs/dbraw/zinc/47/68/71/877476871.db2.gz NGSRNRPHKLCPSY-QHAWAJNXSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000477353838 877476879 /nfs/dbraw/zinc/47/68/79/877476879.db2.gz NGSRNRPHKLCPSY-QHAWAJNXSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000137954339 877673208 /nfs/dbraw/zinc/67/32/08/877673208.db2.gz GURCXIJHMMDCFD-IBGZPJMESA-N 2 1 395.547 3.587 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175645744 877820513 /nfs/dbraw/zinc/82/05/13/877820513.db2.gz PHMYXZPKVYJFAJ-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000175766681 877893662 /nfs/dbraw/zinc/89/36/62/877893662.db2.gz YPVNKCRRIDTYQS-GLCCWIKHSA-N 2 1 398.595 3.774 20 0 GHADMP CSc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000245462135 877928433 /nfs/dbraw/zinc/92/84/33/877928433.db2.gz NNVJZGWIVFVRED-DYESRHJHSA-N 2 1 397.588 3.957 20 0 GHADMP C[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCC[C@H]1C ZINC000615672176 878000329 /nfs/dbraw/zinc/00/03/29/878000329.db2.gz MOPFFCRVRBJFHX-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000615672176 878000342 /nfs/dbraw/zinc/00/03/42/878000342.db2.gz MOPFFCRVRBJFHX-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000615672176 878000355 /nfs/dbraw/zinc/00/03/55/878000355.db2.gz MOPFFCRVRBJFHX-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852106746 878078248 /nfs/dbraw/zinc/07/82/48/878078248.db2.gz CUBSACOXNCVAQC-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852106746 878078263 /nfs/dbraw/zinc/07/82/63/878078263.db2.gz CUBSACOXNCVAQC-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852106746 878078277 /nfs/dbraw/zinc/07/82/77/878078277.db2.gz CUBSACOXNCVAQC-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000245581091 878145342 /nfs/dbraw/zinc/14/53/42/878145342.db2.gz IVQVAXFOHLRNAW-QZTJIDSGSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000245581091 878145359 /nfs/dbraw/zinc/14/53/59/878145359.db2.gz IVQVAXFOHLRNAW-QZTJIDSGSA-N 2 1 378.520 3.933 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176268809 878174664 /nfs/dbraw/zinc/17/46/64/878174664.db2.gz GVSSACWJUSVBQZ-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000530626942 878223854 /nfs/dbraw/zinc/22/38/54/878223854.db2.gz NESZSSKBEGTJPF-GOSISDBHSA-N 2 1 377.916 3.928 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000530626942 878223873 /nfs/dbraw/zinc/22/38/73/878223873.db2.gz NESZSSKBEGTJPF-GOSISDBHSA-N 2 1 377.916 3.928 20 0 GHADMP C[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000176494525 878284080 /nfs/dbraw/zinc/28/40/80/878284080.db2.gz RMMXWDFIQABZKZ-SFHVURJKSA-N 2 1 383.536 3.603 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001183175103 912331095 /nfs/dbraw/zinc/33/10/95/912331095.db2.gz FGDIEBWVFUYOCY-ZCNNSNEGSA-N 2 1 386.584 3.725 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176540075 878299984 /nfs/dbraw/zinc/29/99/84/878299984.db2.gz MSPRGOFIUZTMPX-JOCHJYFZSA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176540075 878300001 /nfs/dbraw/zinc/30/00/01/878300001.db2.gz MSPRGOFIUZTMPX-JOCHJYFZSA-N 2 1 387.543 3.703 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1)CC1CC1 ZINC000537809054 878324126 /nfs/dbraw/zinc/32/41/26/878324126.db2.gz NFIGYCVEIIOOON-HSZRJFAPSA-N 2 1 398.595 3.717 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1)CC1CC1 ZINC000537809054 878324141 /nfs/dbraw/zinc/32/41/41/878324141.db2.gz NFIGYCVEIIOOON-HSZRJFAPSA-N 2 1 398.595 3.717 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1)CC1CC1 ZINC000537809054 878324155 /nfs/dbraw/zinc/32/41/55/878324155.db2.gz NFIGYCVEIIOOON-HSZRJFAPSA-N 2 1 398.595 3.717 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1)CC1CC1 ZINC000537809054 878324168 /nfs/dbraw/zinc/32/41/68/878324168.db2.gz NFIGYCVEIIOOON-HSZRJFAPSA-N 2 1 398.595 3.717 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000788786688 878347092 /nfs/dbraw/zinc/34/70/92/878347092.db2.gz XIMMSHFICRCLHL-KKXNLOMOSA-N 2 1 375.557 3.932 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)CC1CC1 ZINC000537848376 878389017 /nfs/dbraw/zinc/38/90/17/878389017.db2.gz ALFKQINNWPMFRI-KRWDZBQOSA-N 2 1 375.532 3.987 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000616014188 878424436 /nfs/dbraw/zinc/42/44/36/878424436.db2.gz POTPPICKNCYYKO-UHFFFAOYSA-N 2 1 380.621 3.795 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000176829582 878429011 /nfs/dbraw/zinc/42/90/11/878429011.db2.gz OHZDAZMKQCCNIH-IRFPFTSISA-N 2 1 384.568 3.527 20 0 GHADMP CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000110798063 878531946 /nfs/dbraw/zinc/53/19/46/878531946.db2.gz LFBISKCJKIJHLQ-FQEVSTJZSA-N 2 1 394.563 3.678 20 0 GHADMP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)s2)cn1 ZINC000509473697 878619890 /nfs/dbraw/zinc/61/98/90/878619890.db2.gz XDKHMAFMVASVNF-IBGZPJMESA-N 2 1 380.561 3.803 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000245810767 878620256 /nfs/dbraw/zinc/62/02/56/878620256.db2.gz ZIHHGSHKOLPOSG-NRFANRHFSA-N 3 1 384.612 3.525 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000245810767 878620265 /nfs/dbraw/zinc/62/02/65/878620265.db2.gz ZIHHGSHKOLPOSG-NRFANRHFSA-N 3 1 384.612 3.525 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000537987753 878629166 /nfs/dbraw/zinc/62/91/66/878629166.db2.gz QLMAEFMPAWVUIT-HOTKZRPMSA-N 2 1 395.591 3.776 20 0 GHADMP Cc1cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)ccc1C[NH+](C)C ZINC000616243436 878692987 /nfs/dbraw/zinc/69/29/87/878692987.db2.gz SKQIJZLXXSSOFK-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP Cc1cc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)ccc1C[NH+](C)C ZINC000616243436 878692994 /nfs/dbraw/zinc/69/29/94/878692994.db2.gz SKQIJZLXXSSOFK-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000177449070 878707763 /nfs/dbraw/zinc/70/77/63/878707763.db2.gz FPOOHNFILMLDRT-LJQANCHMSA-N 2 1 387.543 3.561 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177968625 878932106 /nfs/dbraw/zinc/93/21/06/878932106.db2.gz KLRGSJCGVMNSDR-NRFANRHFSA-N 3 1 395.591 3.985 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2)CC1 ZINC000138827729 878933220 /nfs/dbraw/zinc/93/32/20/878933220.db2.gz NGILYMLTPGTAEY-XZOQPEGZSA-N 2 1 398.595 3.544 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285708697 912400383 /nfs/dbraw/zinc/40/03/83/912400383.db2.gz ORLCWKFIPBQKMG-DEOSSOPVSA-N 2 1 392.547 3.878 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000246141619 879047634 /nfs/dbraw/zinc/04/76/34/879047634.db2.gz JNRJBTULUPXAGW-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246141619 879047640 /nfs/dbraw/zinc/04/76/40/879047640.db2.gz JNRJBTULUPXAGW-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246141619 879047655 /nfs/dbraw/zinc/04/76/55/879047655.db2.gz JNRJBTULUPXAGW-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375767946 879278323 /nfs/dbraw/zinc/27/83/23/879278323.db2.gz KVIJLGWUTVKWRJ-LPHOPBHVSA-N 2 1 380.458 3.920 20 0 GHADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375767946 879278336 /nfs/dbraw/zinc/27/83/36/879278336.db2.gz KVIJLGWUTVKWRJ-LPHOPBHVSA-N 2 1 380.458 3.920 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000246349787 879443128 /nfs/dbraw/zinc/44/31/28/879443128.db2.gz IXNVBWKZBWHOJT-DENIHFKCSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000246349787 879443134 /nfs/dbraw/zinc/44/31/34/879443134.db2.gz IXNVBWKZBWHOJT-DENIHFKCSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000246349787 879443144 /nfs/dbraw/zinc/44/31/44/879443144.db2.gz IXNVBWKZBWHOJT-DENIHFKCSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503617 879630201 /nfs/dbraw/zinc/63/02/01/879630201.db2.gz HUANKLFNIVVUDP-MZTRBVECSA-N 2 1 392.971 3.727 20 0 GHADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503617 879630210 /nfs/dbraw/zinc/63/02/10/879630210.db2.gz HUANKLFNIVVUDP-MZTRBVECSA-N 2 1 392.971 3.727 20 0 GHADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503617 879630221 /nfs/dbraw/zinc/63/02/21/879630221.db2.gz HUANKLFNIVVUDP-MZTRBVECSA-N 2 1 392.971 3.727 20 0 GHADMP COC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000493917145 879716876 /nfs/dbraw/zinc/71/68/76/879716876.db2.gz PHRSVCLHZMLKSV-FCEUIQTBSA-N 2 1 388.939 3.500 20 0 GHADMP COC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)cc1 ZINC000493917145 879716890 /nfs/dbraw/zinc/71/68/90/879716890.db2.gz PHRSVCLHZMLKSV-FCEUIQTBSA-N 2 1 388.939 3.500 20 0 GHADMP C[NH+](C)CCN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCC1 ZINC000246651159 879740829 /nfs/dbraw/zinc/74/08/29/879740829.db2.gz PIRJISOXJRUSHH-XLIONFOSSA-N 2 1 392.613 3.647 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000531443998 879865135 /nfs/dbraw/zinc/86/51/35/879865135.db2.gz ZYWFFOQHLHIRNW-RTWAWAEBSA-N 2 1 398.595 3.719 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000246998878 879877893 /nfs/dbraw/zinc/87/78/93/879877893.db2.gz OVERWBMGZZKXTP-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000247123195 879922928 /nfs/dbraw/zinc/92/29/28/879922928.db2.gz YYYFZGNDHMALES-HSALFYBXSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000247123195 879922938 /nfs/dbraw/zinc/92/29/38/879922938.db2.gz YYYFZGNDHMALES-HSALFYBXSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[NH+]1C ZINC000247123195 879922949 /nfs/dbraw/zinc/92/29/49/879922949.db2.gz YYYFZGNDHMALES-HSALFYBXSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[NH+]1C ZINC000247123195 879922961 /nfs/dbraw/zinc/92/29/61/879922961.db2.gz YYYFZGNDHMALES-HSALFYBXSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000617504512 880008657 /nfs/dbraw/zinc/00/86/57/880008657.db2.gz ZBFNXZFRCBYENP-LBPRGKRZSA-N 2 1 385.936 3.696 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000617504512 880008664 /nfs/dbraw/zinc/00/86/64/880008664.db2.gz ZBFNXZFRCBYENP-LBPRGKRZSA-N 2 1 385.936 3.696 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000247541040 880022545 /nfs/dbraw/zinc/02/25/45/880022545.db2.gz QVUQBADFUURSAQ-VQTJNVASSA-N 2 1 386.584 3.776 20 0 GHADMP CC1(C)Cc2occc2[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000247940612 880090625 /nfs/dbraw/zinc/09/06/25/880090625.db2.gz CZBYNVIASYKFRW-TZIWHRDSSA-N 2 1 395.547 3.780 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183464191 912551677 /nfs/dbraw/zinc/55/16/77/912551677.db2.gz PLRDQSCNSXRWHX-FQEVSTJZSA-N 2 1 381.605 3.933 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CN(Cc4ccccc4)C[C@H]3C)CCCC2)CC1 ZINC000531720299 880376630 /nfs/dbraw/zinc/37/66/30/880376630.db2.gz KROCLACGNQGYLU-NFBKMPQASA-N 2 1 385.596 3.520 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000531758992 880397854 /nfs/dbraw/zinc/39/78/54/880397854.db2.gz GFMJKYZHIGYFEV-XZOQPEGZSA-N 2 1 395.547 3.518 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453102756 880468630 /nfs/dbraw/zinc/46/86/30/880468630.db2.gz BFEWSQSFSLAEBJ-LJQANCHMSA-N 2 1 382.552 3.798 20 0 GHADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC001183492547 912586574 /nfs/dbraw/zinc/58/65/74/912586574.db2.gz XJRRFCMRQIAHHB-KDURUIRLSA-N 2 1 398.547 3.945 20 0 GHADMP COc1ccc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC001183492547 912586610 /nfs/dbraw/zinc/58/66/10/912586610.db2.gz XJRRFCMRQIAHHB-KDURUIRLSA-N 2 1 398.547 3.945 20 0 GHADMP COc1ccc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC001183492547 912586623 /nfs/dbraw/zinc/58/66/23/912586623.db2.gz XJRRFCMRQIAHHB-KDURUIRLSA-N 2 1 398.547 3.945 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000453227460 880649407 /nfs/dbraw/zinc/64/94/07/880649407.db2.gz FBSYJMAWJKVAHP-QNGMFEMESA-N 2 1 398.572 3.590 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531932263 880783810 /nfs/dbraw/zinc/78/38/10/880783810.db2.gz APAXTJSBXSIICY-GHTZIAJQSA-N 2 1 387.593 3.656 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000776864779 880912308 /nfs/dbraw/zinc/91/23/08/880912308.db2.gz MHIDIOMYROWQJO-PZJWPPBQSA-N 2 1 387.568 3.540 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000776864777 880912615 /nfs/dbraw/zinc/91/26/15/880912615.db2.gz MHIDIOMYROWQJO-CTNGQTDRSA-N 2 1 387.568 3.540 20 0 GHADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000186727551 880971444 /nfs/dbraw/zinc/97/14/44/880971444.db2.gz ASMOHDNEKLEPSB-KRWDZBQOSA-N 2 1 377.960 3.799 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnc(C3CCC3)s2)c2cccs2)CC1 ZINC000532113163 881116741 /nfs/dbraw/zinc/11/67/41/881116741.db2.gz SEBGHYBYVNDKFU-KRWDZBQOSA-N 2 1 376.595 3.550 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000120096148 881258862 /nfs/dbraw/zinc/25/88/62/881258862.db2.gz JTERWPMWBQIMRD-UTKZUKDTSA-N 2 1 391.515 3.745 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1Cl ZINC000120111108 881265927 /nfs/dbraw/zinc/26/59/27/881265927.db2.gz WLIVQTZTSJZBGQ-FFZOFVMBSA-N 2 1 394.991 3.705 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000195139739 883192957 /nfs/dbraw/zinc/19/29/57/883192957.db2.gz NQEFVLZTUZIAFH-HKUYNNGSSA-N 2 1 384.520 3.885 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310149 912684794 /nfs/dbraw/zinc/68/47/94/912684794.db2.gz XBWXEXAIILXFBQ-HOTGVXAUSA-N 2 1 385.533 3.642 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310149 912684801 /nfs/dbraw/zinc/68/48/01/912684801.db2.gz XBWXEXAIILXFBQ-HOTGVXAUSA-N 2 1 385.533 3.642 20 0 GHADMP Cc1cc(Cl)ccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910519 883349184 /nfs/dbraw/zinc/34/91/84/883349184.db2.gz FNMLWOMEZINNAN-LJQANCHMSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1cc(Cl)ccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910519 883349201 /nfs/dbraw/zinc/34/92/01/883349201.db2.gz FNMLWOMEZINNAN-LJQANCHMSA-N 2 1 394.906 3.887 20 0 GHADMP Fc1cc(Cl)ccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910774 883475850 /nfs/dbraw/zinc/47/58/50/883475850.db2.gz LKROLOZGMFPRAN-KRWDZBQOSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1cc(Cl)ccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910774 883475854 /nfs/dbraw/zinc/47/58/54/883475854.db2.gz LKROLOZGMFPRAN-KRWDZBQOSA-N 2 1 398.869 3.718 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000537698144 883507128 /nfs/dbraw/zinc/50/71/28/883507128.db2.gz RPRXJHYKUADXDU-DJKXOVBDSA-N 2 1 376.447 3.908 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000537698144 883507136 /nfs/dbraw/zinc/50/71/36/883507136.db2.gz RPRXJHYKUADXDU-DJKXOVBDSA-N 2 1 376.447 3.908 20 0 GHADMP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000551265580 883574712 /nfs/dbraw/zinc/57/47/12/883574712.db2.gz WEKCNMKVMMDTED-DNQXCXABSA-N 2 1 394.559 3.893 20 0 GHADMP Cc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1Cl ZINC001211911253 883639837 /nfs/dbraw/zinc/63/98/37/883639837.db2.gz PTDFURAODCQJKU-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1Cl ZINC001211911253 883639841 /nfs/dbraw/zinc/63/98/41/883639841.db2.gz PTDFURAODCQJKU-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP Clc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211911922 883973777 /nfs/dbraw/zinc/97/37/77/883973777.db2.gz VFCZZHGLLUQAQR-GOSISDBHSA-N 2 1 380.879 3.579 20 0 GHADMP Clc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211911922 883973784 /nfs/dbraw/zinc/97/37/84/883973784.db2.gz VFCZZHGLLUQAQR-GOSISDBHSA-N 2 1 380.879 3.579 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556217601 884116463 /nfs/dbraw/zinc/11/64/63/884116463.db2.gz NFWWVOHCMYAESI-NZQKXSOJSA-N 2 1 379.548 3.523 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000666219996 884210722 /nfs/dbraw/zinc/21/07/22/884210722.db2.gz KJZOAQVCXSILHC-ZWDAVXSWSA-N 2 1 395.503 3.721 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000666219996 884210735 /nfs/dbraw/zinc/21/07/35/884210735.db2.gz KJZOAQVCXSILHC-ZWDAVXSWSA-N 2 1 395.503 3.721 20 0 GHADMP O[C@]1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000495039612 884419134 /nfs/dbraw/zinc/41/91/34/884419134.db2.gz CRWCWMUWFGEPMM-HUVFLSCGSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000495039612 884419138 /nfs/dbraw/zinc/41/91/38/884419138.db2.gz CRWCWMUWFGEPMM-HUVFLSCGSA-N 2 1 398.522 3.520 20 0 GHADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000130343827 884563462 /nfs/dbraw/zinc/56/34/62/884563462.db2.gz IVQVAXFOHLRNAW-ZWKOTPCHSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000130343827 884563465 /nfs/dbraw/zinc/56/34/65/884563465.db2.gz IVQVAXFOHLRNAW-ZWKOTPCHSA-N 2 1 378.520 3.933 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000105464685 884788653 /nfs/dbraw/zinc/78/86/53/884788653.db2.gz HUWSTCDQNORLCO-KRWDZBQOSA-N 2 1 399.510 3.590 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000498566877 884853830 /nfs/dbraw/zinc/85/38/30/884853830.db2.gz KBONTXLDAIKAPM-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460350321 884934692 /nfs/dbraw/zinc/93/46/92/884934692.db2.gz KBKDCMORZGDDHI-SFTDATJTSA-N 2 1 393.575 3.700 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000460343224 884950323 /nfs/dbraw/zinc/95/03/23/884950323.db2.gz MEEVNGYIOMHFAM-GZOXUSKESA-N 2 1 379.548 3.988 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000460343224 884950337 /nfs/dbraw/zinc/95/03/37/884950337.db2.gz MEEVNGYIOMHFAM-GZOXUSKESA-N 2 1 379.548 3.988 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000498598880 884985639 /nfs/dbraw/zinc/98/56/39/884985639.db2.gz UDRAKZZUTGXAKQ-NRFANRHFSA-N 2 1 381.520 3.832 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)c1 ZINC000455875787 885140350 /nfs/dbraw/zinc/14/03/50/885140350.db2.gz NGCBWZQBPBLPGH-HSZRJFAPSA-N 2 1 392.547 3.894 20 0 GHADMP Cc1cc(F)c(F)c(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211915983 885203436 /nfs/dbraw/zinc/20/34/36/885203436.db2.gz NUWYZGATFBBTDZ-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(F)c(F)c(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211915983 885203448 /nfs/dbraw/zinc/20/34/48/885203448.db2.gz NUWYZGATFBBTDZ-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1ccc(F)c(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000130901379 885319155 /nfs/dbraw/zinc/31/91/55/885319155.db2.gz PEZSUABLSMGYOK-UHFFFAOYSA-N 2 1 397.538 3.594 20 0 GHADMP C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498707580 885390988 /nfs/dbraw/zinc/39/09/88/885390988.db2.gz UQBMCNHYYBCOSV-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707580 885391008 /nfs/dbraw/zinc/39/10/08/885391008.db2.gz UQBMCNHYYBCOSV-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707580 885391028 /nfs/dbraw/zinc/39/10/28/885391028.db2.gz UQBMCNHYYBCOSV-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448675 885508872 /nfs/dbraw/zinc/50/88/72/885508872.db2.gz JADDDWQINGUGJR-WIYYLYMNSA-N 2 1 387.568 3.652 20 0 GHADMP Cc1csc(N2CCC([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000495374623 885565687 /nfs/dbraw/zinc/56/56/87/885565687.db2.gz RVYPUJWVUYEBBS-QUCCMNQESA-N 2 1 384.593 3.921 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000303453762 885577335 /nfs/dbraw/zinc/57/73/35/885577335.db2.gz JKGUNKXDTJKQPH-JOCHJYFZSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000807620932 885577803 /nfs/dbraw/zinc/57/78/03/885577803.db2.gz SYUMOSVBUXXNJC-XXBNENTESA-N 2 1 394.563 3.553 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495379496 885594087 /nfs/dbraw/zinc/59/40/87/885594087.db2.gz KSESMYRVFMKCEU-JQVVWYNYSA-N 2 1 375.520 3.829 20 0 GHADMP CC(C)[NH+](CCS[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000762204083 885689393 /nfs/dbraw/zinc/68/93/93/885689393.db2.gz PTRMNLITRLNNBI-PZJWPPBQSA-N 2 1 391.625 3.618 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444922 885830047 /nfs/dbraw/zinc/83/00/47/885830047.db2.gz OBJVOSSSOOHYQN-UWXQAFAOSA-N 2 1 391.559 3.676 20 0 GHADMP CC1(C)C(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[C@H]1c1ccncc1 ZINC000808169664 886101792 /nfs/dbraw/zinc/10/17/92/886101792.db2.gz DBQYUPGTELASOL-NRFANRHFSA-N 2 1 384.568 3.537 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808172011 886104274 /nfs/dbraw/zinc/10/42/74/886104274.db2.gz ORZDCPYZBGTJCO-HXUWFJFHSA-N 2 1 384.568 3.863 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808172011 886104277 /nfs/dbraw/zinc/10/42/77/886104277.db2.gz ORZDCPYZBGTJCO-HXUWFJFHSA-N 2 1 384.568 3.863 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000556810170 886219021 /nfs/dbraw/zinc/21/90/21/886219021.db2.gz PTSXWSGMPZBKIT-DEOSSOPVSA-N 2 1 377.576 3.919 20 0 GHADMP CC[N@@H+](CCC1CCN(Cc2cn(C)nc2Br)CC1)CC1CC1 ZINC000862261826 886265755 /nfs/dbraw/zinc/26/57/55/886265755.db2.gz LVLIQTKCGATZFZ-UHFFFAOYSA-N 2 1 383.378 3.517 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2cn(C)nc2Br)CC1)CC1CC1 ZINC000862261826 886265774 /nfs/dbraw/zinc/26/57/74/886265774.db2.gz LVLIQTKCGATZFZ-UHFFFAOYSA-N 2 1 383.378 3.517 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2Br)CC1)CC1CC1 ZINC000862261826 886265794 /nfs/dbraw/zinc/26/57/94/886265794.db2.gz LVLIQTKCGATZFZ-UHFFFAOYSA-N 2 1 383.378 3.517 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCCO1 ZINC000762485035 886277186 /nfs/dbraw/zinc/27/71/86/886277186.db2.gz XRJNHJDMPBEBLI-IBGZPJMESA-N 2 1 386.511 3.995 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000556829832 886284197 /nfs/dbraw/zinc/28/41/97/886284197.db2.gz XLBUKJHKUKKVHT-OGWHTMIXSA-N 2 1 377.598 3.598 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000556829832 886284211 /nfs/dbraw/zinc/28/42/11/886284211.db2.gz XLBUKJHKUKKVHT-OGWHTMIXSA-N 2 1 377.598 3.598 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000556829832 886284229 /nfs/dbraw/zinc/28/42/29/886284229.db2.gz XLBUKJHKUKKVHT-OGWHTMIXSA-N 2 1 377.598 3.598 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000118868639 886294367 /nfs/dbraw/zinc/29/43/67/886294367.db2.gz HOMRJOAYZSCOFS-UHFFFAOYSA-N 2 1 390.528 3.551 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)c2cccs2)CC1 ZINC000454160376 886340692 /nfs/dbraw/zinc/34/06/92/886340692.db2.gz VOXJIXMICNGJAH-LJQANCHMSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000287017179 913034693 /nfs/dbraw/zinc/03/46/93/913034693.db2.gz ICXHHVIRXZKUBC-QUFMSWDXSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000287017179 913034702 /nfs/dbraw/zinc/03/47/02/913034702.db2.gz ICXHHVIRXZKUBC-QUFMSWDXSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000287017179 913034717 /nfs/dbraw/zinc/03/47/17/913034717.db2.gz ICXHHVIRXZKUBC-QUFMSWDXSA-N 2 1 398.595 3.685 20 0 GHADMP CC[NH+](CC)[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)c1cccc(OC)c1 ZINC000119060059 886398252 /nfs/dbraw/zinc/39/82/52/886398252.db2.gz LTMGFHDILBGJGN-DEOSSOPVSA-N 2 1 396.579 3.727 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(C)c1 ZINC000556869864 886424106 /nfs/dbraw/zinc/42/41/06/886424106.db2.gz KJGANFLIBQJUCJ-XZOQPEGZSA-N 2 1 379.548 3.933 20 0 GHADMP c1ccc(CC[NH+]2CCC(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000236594862 886869078 /nfs/dbraw/zinc/86/90/78/886869078.db2.gz IDMONFCFEPDPLL-VWLOTQADSA-N 2 1 377.576 3.948 20 0 GHADMP c1ccc(CC[NH+]2CCC(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000236594862 886869080 /nfs/dbraw/zinc/86/90/80/886869080.db2.gz IDMONFCFEPDPLL-VWLOTQADSA-N 2 1 377.576 3.948 20 0 GHADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237040421 886907308 /nfs/dbraw/zinc/90/73/08/886907308.db2.gz MWTWABMPGISQLH-QXRTWZOPSA-N 2 1 385.474 3.578 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237411048 886945181 /nfs/dbraw/zinc/94/51/81/886945181.db2.gz BIERVGAQXVFRJB-AWEZNQCLSA-N 2 1 377.414 3.822 20 0 GHADMP COc1cccc(C[C@@H]([NH3+])c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1 ZINC000863662297 887271294 /nfs/dbraw/zinc/27/12/94/887271294.db2.gz RPLAOZWAVLOZKJ-HXUWFJFHSA-N 2 1 378.476 3.584 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000536590054 887361282 /nfs/dbraw/zinc/36/12/82/887361282.db2.gz PLHZAMCDMXSTAG-UHFFFAOYSA-N 2 1 382.552 3.714 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(Cl)c1O ZINC000459330410 887395614 /nfs/dbraw/zinc/39/56/14/887395614.db2.gz SMBCWJCSMSIOBR-HZPDHXFCSA-N 2 1 396.959 3.766 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809756955 887799410 /nfs/dbraw/zinc/79/94/10/887799410.db2.gz VGLOKBSROHYWJY-OAQYLSRUSA-N 2 1 378.561 3.805 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809756955 887799415 /nfs/dbraw/zinc/79/94/15/887799415.db2.gz VGLOKBSROHYWJY-OAQYLSRUSA-N 2 1 378.561 3.805 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[N@H+](CC4CCCCC4)CC3)CC2)[nH+]c1 ZINC000194186658 888105841 /nfs/dbraw/zinc/10/58/41/888105841.db2.gz GWSNUKQWZQOBSC-UHFFFAOYSA-N 2 1 398.595 3.721 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[N@@H+](CC4CCCCC4)CC3)CC2)[nH+]c1 ZINC000194186658 888105844 /nfs/dbraw/zinc/10/58/44/888105844.db2.gz GWSNUKQWZQOBSC-UHFFFAOYSA-N 2 1 398.595 3.721 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1noc2cc(F)ccc12)C1CC[NH+](C)CC1 ZINC000865836534 888603853 /nfs/dbraw/zinc/60/38/53/888603853.db2.gz ITYQLYQZGLATKK-UHFFFAOYSA-N 2 1 382.483 3.787 20 0 GHADMP C[C@H]([NH2+]Cc1ncc(Br)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866617074 888970188 /nfs/dbraw/zinc/97/01/88/888970188.db2.gz YNUUIZRRYMEJCV-LBPRGKRZSA-N 2 1 384.343 3.697 20 0 GHADMP C[N@@H+](CCCCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000454412959 888990945 /nfs/dbraw/zinc/99/09/45/888990945.db2.gz WEKWIWVHJVCMFT-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168511133 889235411 /nfs/dbraw/zinc/23/54/11/889235411.db2.gz ANKRANZWMFWNMT-CVSAEHQPSA-N 2 1 379.467 3.519 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000465535445 889309501 /nfs/dbraw/zinc/30/95/01/889309501.db2.gz YCNVTQREOQFYAI-RBUKOAKNSA-N 2 1 380.602 3.647 20 0 GHADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533055160 889639240 /nfs/dbraw/zinc/63/92/40/889639240.db2.gz HPMJDTVPVLSQCH-IBGZPJMESA-N 2 1 385.596 3.921 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000644573948 913375434 /nfs/dbraw/zinc/37/54/34/913375434.db2.gz BDGLXVOPHDQKCK-MGPUTAFESA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)[C@@H]1c1cccs1 ZINC000644573948 913375456 /nfs/dbraw/zinc/37/54/56/913375456.db2.gz BDGLXVOPHDQKCK-MGPUTAFESA-N 2 1 375.513 3.889 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000533271212 890135416 /nfs/dbraw/zinc/13/54/16/890135416.db2.gz JXNCWHRTCXWTSL-UHFFFAOYSA-N 2 1 387.446 3.576 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000533271212 890135424 /nfs/dbraw/zinc/13/54/24/890135424.db2.gz JXNCWHRTCXWTSL-UHFFFAOYSA-N 2 1 387.446 3.576 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)noc1-c1ccccc1 ZINC000126624233 890620781 /nfs/dbraw/zinc/62/07/81/890620781.db2.gz YTDQFEGCEYRTFQ-IBGZPJMESA-N 2 1 399.539 3.530 20 0 GHADMP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Cc2ccccc21 ZINC000917040494 890763314 /nfs/dbraw/zinc/76/33/14/890763314.db2.gz RPYKWAWGVHLOPM-IBGZPJMESA-N 2 1 377.532 3.518 20 0 GHADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Cc2ccccc21 ZINC000917040494 890763326 /nfs/dbraw/zinc/76/33/26/890763326.db2.gz RPYKWAWGVHLOPM-IBGZPJMESA-N 2 1 377.532 3.518 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872026218 891124443 /nfs/dbraw/zinc/12/44/43/891124443.db2.gz ZFVGJPULYKJSBQ-WMZOPIPTSA-N 2 1 378.314 3.712 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000066939136 891135139 /nfs/dbraw/zinc/13/51/39/891135139.db2.gz SLKYTKTYYDGYMY-HSZRJFAPSA-N 2 1 391.490 3.871 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000074299703 891272345 /nfs/dbraw/zinc/27/23/45/891272345.db2.gz XHLQLVMFQLSAKB-PMACEKPBSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246517707 891282119 /nfs/dbraw/zinc/28/21/19/891282119.db2.gz XHLQLVMFQLSAKB-WOJBJXKFSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC000813324652 891487466 /nfs/dbraw/zinc/48/74/66/891487466.db2.gz QJVAPAJIELGTTA-DNRQZRRGSA-N 2 1 393.575 3.660 20 0 GHADMP C[C@@H]1[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC000813324652 891487477 /nfs/dbraw/zinc/48/74/77/891487477.db2.gz QJVAPAJIELGTTA-DNRQZRRGSA-N 2 1 393.575 3.660 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000128239447 891497582 /nfs/dbraw/zinc/49/75/82/891497582.db2.gz OTQMBOVOBRCXFP-OAQYLSRUSA-N 2 1 381.564 3.944 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC1)C2 ZINC001168270674 891661911 /nfs/dbraw/zinc/66/19/11/891661911.db2.gz CXLKTDHIZFGVDJ-SFTDATJTSA-N 2 1 396.531 3.511 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1)C1CC1 ZINC000497575264 891886259 /nfs/dbraw/zinc/88/62/59/891886259.db2.gz QPEQXMAPBWDJQP-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccco1 ZINC000497698165 892216702 /nfs/dbraw/zinc/21/67/02/892216702.db2.gz BVTKXXHLIJMHAR-OAQYLSRUSA-N 2 1 398.551 3.758 20 0 GHADMP C[C@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000497735300 892288369 /nfs/dbraw/zinc/28/83/69/892288369.db2.gz GZBLGBVLBNPHKX-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000262662111 892393763 /nfs/dbraw/zinc/39/37/63/892393763.db2.gz YQLYPGXSBIYBPW-WOEVYDRPSA-N 2 1 379.548 3.595 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccc1 ZINC000020947388 892538157 /nfs/dbraw/zinc/53/81/57/892538157.db2.gz RRZGMWCRRCQYJM-UHFFFAOYSA-N 2 1 394.563 3.679 20 0 GHADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000877008366 893431822 /nfs/dbraw/zinc/43/18/22/893431822.db2.gz JXHNZRIDNSWNIG-PVPMGCCUSA-N 2 1 385.489 3.816 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143636 893516473 /nfs/dbraw/zinc/51/64/73/893516473.db2.gz MWFKHCXNKFEYAP-GBXCKJPGSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143636 893516486 /nfs/dbraw/zinc/51/64/86/893516486.db2.gz MWFKHCXNKFEYAP-GBXCKJPGSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143636 893516503 /nfs/dbraw/zinc/51/65/03/893516503.db2.gz MWFKHCXNKFEYAP-GBXCKJPGSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)C2)C1 ZINC000815143636 893516517 /nfs/dbraw/zinc/51/65/17/893516517.db2.gz MWFKHCXNKFEYAP-GBXCKJPGSA-N 2 1 396.531 3.636 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000536695441 893557830 /nfs/dbraw/zinc/55/78/30/893557830.db2.gz BNTFJQMAELKXQQ-IBGZPJMESA-N 2 1 376.932 3.663 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C[C@H]([NH3+])C4CCCC4)C3)CC2)[nH+]c1 ZINC000877451063 893614609 /nfs/dbraw/zinc/61/46/09/893614609.db2.gz IYCCTJPOCSAXQD-UGKGYDQZSA-N 2 1 398.595 3.753 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2F)CC1)CC1CC1 ZINC000536736466 893696079 /nfs/dbraw/zinc/69/60/79/893696079.db2.gz NJUICCNYPLSPPI-SFHVURJKSA-N 2 1 389.559 3.664 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000563417536 893712546 /nfs/dbraw/zinc/71/25/46/893712546.db2.gz MSBZPMLLYPETRV-UGKGYDQZSA-N 2 1 395.547 3.670 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524976 893726975 /nfs/dbraw/zinc/72/69/75/893726975.db2.gz XGTIEUGCKXDSPZ-TZIWHRDSSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524976 893726985 /nfs/dbraw/zinc/72/69/85/893726985.db2.gz XGTIEUGCKXDSPZ-TZIWHRDSSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524976 893726990 /nfs/dbraw/zinc/72/69/90/893726990.db2.gz XGTIEUGCKXDSPZ-TZIWHRDSSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524976 893726995 /nfs/dbraw/zinc/72/69/95/893726995.db2.gz XGTIEUGCKXDSPZ-TZIWHRDSSA-N 2 1 383.580 3.503 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000288555553 913804763 /nfs/dbraw/zinc/80/47/63/913804763.db2.gz LWJDJLCOIXQXQQ-UHFFFAOYSA-N 2 1 399.926 3.541 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[C@@H](C)C[C@@H]2n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000556119613 893832755 /nfs/dbraw/zinc/83/27/55/893832755.db2.gz BNMGGPOEURVNIH-FUOIXIIKSA-N 2 1 381.568 3.898 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000563504825 893838983 /nfs/dbraw/zinc/83/89/83/893838983.db2.gz RSAWSAJWTJSHPT-IEBWSBKVSA-N 2 1 378.520 3.712 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1)CC1CC1 ZINC000563546066 893884902 /nfs/dbraw/zinc/88/49/02/893884902.db2.gz XDVAVHRLDUWGLP-UHFFFAOYSA-N 2 1 381.564 3.873 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cnn1-c1cc(C)ccc1C ZINC000536845912 893924578 /nfs/dbraw/zinc/92/45/78/893924578.db2.gz PAGVDXRJZGXECA-OEOAZWSVSA-N 2 1 396.579 3.826 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1OC(F)F ZINC000536847891 893927858 /nfs/dbraw/zinc/92/78/58/893927858.db2.gz UKECKBBGNAAIFA-ZLIFDBKOSA-N 2 1 388.886 3.970 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536877234 893996127 /nfs/dbraw/zinc/99/61/27/893996127.db2.gz QADGBPMNBPAZNY-DYESRHJHSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536877234 893996135 /nfs/dbraw/zinc/99/61/35/893996135.db2.gz QADGBPMNBPAZNY-DYESRHJHSA-N 2 1 385.939 3.570 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000878303844 894180842 /nfs/dbraw/zinc/18/08/42/894180842.db2.gz CSZRXOZZRXHKHQ-UYAOXDASSA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000878303844 894180849 /nfs/dbraw/zinc/18/08/49/894180849.db2.gz CSZRXOZZRXHKHQ-UYAOXDASSA-N 2 1 381.524 3.613 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccccc3Br)CC2)C1 ZINC000459794918 894208788 /nfs/dbraw/zinc/20/87/88/894208788.db2.gz UZBCESUKUCBYOM-QGZVFWFLSA-N 2 1 394.401 3.735 20 0 GHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049293 894267512 /nfs/dbraw/zinc/26/75/12/894267512.db2.gz APUCWSPPXXSERG-PZJWPPBQSA-N 2 1 387.568 3.603 20 0 GHADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049293 894267522 /nfs/dbraw/zinc/26/75/22/894267522.db2.gz APUCWSPPXXSERG-PZJWPPBQSA-N 2 1 387.568 3.603 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563886200 894297073 /nfs/dbraw/zinc/29/70/73/894297073.db2.gz OXDZIZHSJFIKCV-PMACEKPBSA-N 2 1 380.511 3.586 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563886200 894297096 /nfs/dbraw/zinc/29/70/96/894297096.db2.gz OXDZIZHSJFIKCV-PMACEKPBSA-N 2 1 380.511 3.586 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)ccc21 ZINC000455851159 894709109 /nfs/dbraw/zinc/70/91/09/894709109.db2.gz DWMLZSUGIUDGEZ-QHCPKHFHSA-N 2 1 392.547 3.975 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(SC)cc3OC)CC2)CC1 ZINC000564348102 894887699 /nfs/dbraw/zinc/88/76/99/894887699.db2.gz JCCYWNQEAPRUOU-UHFFFAOYSA-N 2 1 391.581 3.552 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544111 894913292 /nfs/dbraw/zinc/91/32/92/894913292.db2.gz XPWDMFXEQQCJGC-SJORKVTESA-N 2 1 393.597 3.805 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816544111 894913302 /nfs/dbraw/zinc/91/33/02/894913302.db2.gz XPWDMFXEQQCJGC-SJORKVTESA-N 2 1 393.597 3.805 20 0 GHADMP C[C@@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564641879 895152328 /nfs/dbraw/zinc/15/23/28/895152328.db2.gz MEZSZKQVRIHZSQ-UKRRQHHQSA-N 2 1 398.473 3.939 20 0 GHADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000564952645 895321203 /nfs/dbraw/zinc/32/12/03/895321203.db2.gz JDKDNHIKFMZNDR-PZJWPPBQSA-N 2 1 398.595 3.730 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000564989190 895340876 /nfs/dbraw/zinc/34/08/76/895340876.db2.gz TWGKWMYVISQRHN-OLZOCXBDSA-N 2 1 389.849 3.619 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000565260700 895483266 /nfs/dbraw/zinc/48/32/66/895483266.db2.gz YZCPOLBZSIQLKI-GOSISDBHSA-N 2 1 395.551 3.593 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000565260700 895483275 /nfs/dbraw/zinc/48/32/75/895483275.db2.gz YZCPOLBZSIQLKI-GOSISDBHSA-N 2 1 395.551 3.593 20 0 GHADMP CCN(C(=O)NCc1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000565349364 895556060 /nfs/dbraw/zinc/55/60/60/895556060.db2.gz NHUXBBFKDKVGRV-XMSQKQJNSA-N 2 1 391.519 3.701 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)C[C@@H](C)O1 ZINC000565473829 895659695 /nfs/dbraw/zinc/65/96/95/895659695.db2.gz JMOYCMGZYMKPNT-GRFNRIFCSA-N 2 1 394.506 3.568 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=S)Nc3cccc(Cl)c3)CC2)CC1 ZINC000817565052 895735852 /nfs/dbraw/zinc/73/58/52/895735852.db2.gz ACJPZHCGNFKPGK-UHFFFAOYSA-N 2 1 380.989 3.529 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=S)Nc3cccc(Cl)c3)CC2)CC1 ZINC000817565052 895735866 /nfs/dbraw/zinc/73/58/66/895735866.db2.gz ACJPZHCGNFKPGK-UHFFFAOYSA-N 2 1 380.989 3.529 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1Cl ZINC001136033088 895933440 /nfs/dbraw/zinc/93/34/40/895933440.db2.gz BOLHIXWHSVHARY-YLJYHZDGSA-N 2 1 379.976 3.960 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000565907056 895972770 /nfs/dbraw/zinc/97/27/70/895972770.db2.gz RSHDNIZCYCHGFL-UHFFFAOYSA-N 2 1 397.538 3.897 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000565922720 895983198 /nfs/dbraw/zinc/98/31/98/895983198.db2.gz OEJQKWCWSUYNRH-UHFFFAOYSA-N 2 1 387.399 3.567 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000818186852 896068068 /nfs/dbraw/zinc/06/80/68/896068068.db2.gz ORYDTMGOVQEOSI-LJQANCHMSA-N 2 1 386.511 3.771 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000818186852 896068079 /nfs/dbraw/zinc/06/80/79/896068079.db2.gz ORYDTMGOVQEOSI-LJQANCHMSA-N 2 1 386.511 3.771 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000566225965 896188632 /nfs/dbraw/zinc/18/86/32/896188632.db2.gz HOASESPPGLXRDR-FXAWDEMLSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000566225965 896188635 /nfs/dbraw/zinc/18/86/35/896188635.db2.gz HOASESPPGLXRDR-FXAWDEMLSA-N 2 1 384.520 3.842 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000566230619 896192545 /nfs/dbraw/zinc/19/25/45/896192545.db2.gz NTRVBYREFZLGPE-NQIIRXRSSA-N 2 1 390.531 3.776 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000818982089 896302633 /nfs/dbraw/zinc/30/26/33/896302633.db2.gz FDVGOUCHNAZRJC-OAQYLSRUSA-N 2 1 394.563 3.583 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3ccc(F)cc3F)CC2)cs1 ZINC000819050378 896341676 /nfs/dbraw/zinc/34/16/76/896341676.db2.gz SVXHQWOGCJDVMC-LJQANCHMSA-N 2 1 395.519 3.519 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000566534910 896359888 /nfs/dbraw/zinc/35/98/88/896359888.db2.gz SLYRZJUWNYCEQU-GOTSBHOMSA-N 2 1 383.580 3.751 20 0 GHADMP Cc1ccc([C@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000819333854 896577056 /nfs/dbraw/zinc/57/70/56/896577056.db2.gz RGUJTVJFPVVIPI-BJKOFHAPSA-N 2 1 394.559 3.547 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)c(C(C)=O)c(C)c3)CC2)CC1 ZINC000882178277 896691360 /nfs/dbraw/zinc/69/13/60/896691360.db2.gz PGGQIMHOLYOECL-UHFFFAOYSA-N 2 1 385.552 3.641 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170927992 896785322 /nfs/dbraw/zinc/78/53/22/896785322.db2.gz FVAYJEQEJVQZLX-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170927992 896785336 /nfs/dbraw/zinc/78/53/36/896785336.db2.gz FVAYJEQEJVQZLX-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@@H]3CCc4cccc(Cl)c4C3)C2)C1 ZINC001170927992 896785353 /nfs/dbraw/zinc/78/53/53/896785353.db2.gz FVAYJEQEJVQZLX-TXTKFYIRSA-N 2 1 388.983 3.878 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)[C@@H]2CCC[C@@H]21 ZINC000567130982 896897304 /nfs/dbraw/zinc/89/73/04/896897304.db2.gz MQBNYPVUENHVOA-SNRMKQJTSA-N 2 1 376.342 3.935 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883264360 897419007 /nfs/dbraw/zinc/41/90/07/897419007.db2.gz YDFRVLYWQSZVRL-VNXZQDSDSA-N 2 1 386.580 3.995 20 0 GHADMP O=C(CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000820808781 897536428 /nfs/dbraw/zinc/53/64/28/897536428.db2.gz NGMVFLOQXYVTSQ-CWAQXLGLSA-N 2 1 391.559 3.868 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000132345938 897760528 /nfs/dbraw/zinc/76/05/28/897760528.db2.gz NBVFFLWYPYEEFQ-SQJMNOBHSA-N 2 1 393.575 3.530 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH3+])o2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000646029650 914200388 /nfs/dbraw/zinc/20/03/88/914200388.db2.gz WOTAAEFCHLCFKV-KBXCAEBGSA-N 2 1 395.425 3.570 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1)C1CC1 ZINC000569119008 898352530 /nfs/dbraw/zinc/35/25/30/898352530.db2.gz KDTXCYWCWSBYEQ-UHFFFAOYSA-N 2 1 384.549 3.847 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282864543 898375529 /nfs/dbraw/zinc/37/55/29/898375529.db2.gz VSWHZNKIGCNZGJ-OAQYLSRUSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282864543 898375541 /nfs/dbraw/zinc/37/55/41/898375541.db2.gz VSWHZNKIGCNZGJ-OAQYLSRUSA-N 2 1 397.567 3.524 20 0 GHADMP COc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1OC ZINC000569172580 898388165 /nfs/dbraw/zinc/38/81/65/898388165.db2.gz XBVZREIFWHQVKE-HDICACEKSA-N 2 1 390.568 3.724 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000646136195 914279522 /nfs/dbraw/zinc/27/95/22/914279522.db2.gz AFSBITBCJLJNIK-AVRDEDQJSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@@H]([NH3+])[C@H](C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000822956679 898753159 /nfs/dbraw/zinc/75/31/59/898753159.db2.gz NNTJUULVUIOGFL-DLBZAZTESA-N 2 1 392.503 3.687 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210994 899196681 /nfs/dbraw/zinc/19/66/81/899196681.db2.gz QEMWIYDROMRXRZ-PKTZIBPZSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210994 899196686 /nfs/dbraw/zinc/19/66/86/899196686.db2.gz QEMWIYDROMRXRZ-PKTZIBPZSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210994 899196704 /nfs/dbraw/zinc/19/67/04/899196704.db2.gz QEMWIYDROMRXRZ-PKTZIBPZSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210994 899196708 /nfs/dbraw/zinc/19/67/08/899196708.db2.gz QEMWIYDROMRXRZ-PKTZIBPZSA-N 2 1 376.548 3.636 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000823737185 899211577 /nfs/dbraw/zinc/21/15/77/899211577.db2.gz UBXLCFJEWJUJBI-RBUKOAKNSA-N 2 1 385.552 3.553 20 0 GHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823850437 899278655 /nfs/dbraw/zinc/27/86/55/899278655.db2.gz CRAIUXRPHBNOOT-PBHICJAKSA-N 2 1 387.351 3.994 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000570543022 899373592 /nfs/dbraw/zinc/37/35/92/899373592.db2.gz UXGQYGDDCQMPGU-CVDCTZTESA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000118806033 899472578 /nfs/dbraw/zinc/47/25/78/899472578.db2.gz NPJNKIVECLVYCP-LJQANCHMSA-N 2 1 383.540 3.860 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000118806033 899472583 /nfs/dbraw/zinc/47/25/83/899472583.db2.gz NPJNKIVECLVYCP-LJQANCHMSA-N 2 1 383.540 3.860 20 0 GHADMP C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000156193778 899515014 /nfs/dbraw/zinc/51/50/14/899515014.db2.gz NAJZITIFYWIAGA-DLBZAZTESA-N 2 1 388.943 3.952 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4nccs4)c3)CC2)CC1 ZINC000570736242 899546063 /nfs/dbraw/zinc/54/60/63/899546063.db2.gz AWGAPBFRIQDJKS-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000571103812 899741878 /nfs/dbraw/zinc/74/18/78/899741878.db2.gz JEMMVKIECZFAPK-NIJYUZCSSA-N 2 1 389.971 3.712 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000571103812 899741885 /nfs/dbraw/zinc/74/18/85/899741885.db2.gz JEMMVKIECZFAPK-NIJYUZCSSA-N 2 1 389.971 3.712 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000571103812 899741894 /nfs/dbraw/zinc/74/18/94/899741894.db2.gz JEMMVKIECZFAPK-NIJYUZCSSA-N 2 1 389.971 3.712 20 0 GHADMP CC[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000824666440 899752224 /nfs/dbraw/zinc/75/22/24/899752224.db2.gz LRSKOPJDIFKZAJ-YZGWKJHDSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571303453 899821523 /nfs/dbraw/zinc/82/15/23/899821523.db2.gz BZAQNDSLPAFQRX-CYFREDJKSA-N 2 1 392.547 3.514 20 0 GHADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)c[nH]c2c1 ZINC001136971792 899926803 /nfs/dbraw/zinc/92/68/03/899926803.db2.gz PZHCXRVOGXKKGW-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2c(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)c[nH]c2c1 ZINC001136971792 899926807 /nfs/dbraw/zinc/92/68/07/899926807.db2.gz PZHCXRVOGXKKGW-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)c[nH]c2c1 ZINC001136971792 899926810 /nfs/dbraw/zinc/92/68/10/899926810.db2.gz PZHCXRVOGXKKGW-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2c(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)c[nH]c2c1 ZINC001136972827 899929044 /nfs/dbraw/zinc/92/90/44/899929044.db2.gz ARQGFYALEULCQI-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000571904126 900003044 /nfs/dbraw/zinc/00/30/44/900003044.db2.gz HVPHAZJZCNJMIV-LJQANCHMSA-N 2 1 387.474 3.844 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)n1 ZINC001137013100 900067387 /nfs/dbraw/zinc/06/73/87/900067387.db2.gz DERBKSXVNCPGEQ-UHFFFAOYSA-N 2 1 384.471 3.978 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)n1 ZINC001137013100 900067395 /nfs/dbraw/zinc/06/73/95/900067395.db2.gz DERBKSXVNCPGEQ-UHFFFAOYSA-N 2 1 384.471 3.978 20 0 GHADMP C[C@@H](c1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000572281964 900126309 /nfs/dbraw/zinc/12/63/09/900126309.db2.gz XXUCJLHKPGMKCC-UWJYYQICSA-N 2 1 381.520 3.745 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045624 900205249 /nfs/dbraw/zinc/20/52/49/900205249.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045624 900205266 /nfs/dbraw/zinc/20/52/66/900205266.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045624 900205283 /nfs/dbraw/zinc/20/52/83/900205283.db2.gz PKKCGIABJZDEMT-QMHWCDLVSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000572511515 900209502 /nfs/dbraw/zinc/20/95/02/900209502.db2.gz BSIFWVVUZFVEPO-XMMPIXPASA-N 2 1 392.547 3.974 20 0 GHADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1Oc1cccnc1 ZINC000572563701 900221877 /nfs/dbraw/zinc/22/18/77/900221877.db2.gz LKYFJNNIRBVKJQ-UHFFFAOYSA-N 2 1 382.552 3.640 20 0 GHADMP [NH3+][C@H]1CCc2c3ccccc3n(-c3c[nH+]c4cccc(Br)n43)c2C1 ZINC001171092718 900227686 /nfs/dbraw/zinc/22/76/86/900227686.db2.gz DUBLAGOSDDLMHE-LBPRGKRZSA-N 2 1 381.277 3.857 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccco3)C3CCCC3)CC2)CC1 ZINC000572615203 900233957 /nfs/dbraw/zinc/23/39/57/900233957.db2.gz UHCISDRNUKMIKH-UHFFFAOYSA-N 2 1 387.568 3.747 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000843847404 900244873 /nfs/dbraw/zinc/24/48/73/900244873.db2.gz XYVODJZCPJNOTP-QGZVFWFLSA-N 2 1 383.540 3.566 20 0 GHADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000573216757 900414853 /nfs/dbraw/zinc/41/48/53/900414853.db2.gz BUVMJODOIDMHOC-MRXNPFEDSA-N 2 1 385.899 3.936 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000573216757 900414866 /nfs/dbraw/zinc/41/48/66/900414866.db2.gz BUVMJODOIDMHOC-MRXNPFEDSA-N 2 1 385.899 3.936 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000573216757 900414875 /nfs/dbraw/zinc/41/48/75/900414875.db2.gz BUVMJODOIDMHOC-MRXNPFEDSA-N 2 1 385.899 3.936 20 0 GHADMP C[C@H](CC[NH+](C)C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001143820239 900565943 /nfs/dbraw/zinc/56/59/43/900565943.db2.gz CJJBGPLEMIXCRL-MRXNPFEDSA-N 2 1 399.501 3.716 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000573584918 900568436 /nfs/dbraw/zinc/56/84/36/900568436.db2.gz MGIAVVVZFKFESN-QRQLOZEOSA-N 2 1 397.485 3.519 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000574034051 900753364 /nfs/dbraw/zinc/75/33/64/900753364.db2.gz XDEOYTAVSXWJDW-JQVVWYNYSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000574034051 900753378 /nfs/dbraw/zinc/75/33/78/900753378.db2.gz XDEOYTAVSXWJDW-JQVVWYNYSA-N 2 1 388.577 3.777 20 0 GHADMP CCN1CC[NH+](Cc2ccc(Nc3cccc(OCC[NH+](C)C)c3)cc2)CC1 ZINC001212807055 900768759 /nfs/dbraw/zinc/76/87/59/900768759.db2.gz IKMWFTDIWZMXPL-UHFFFAOYSA-N 2 1 382.552 3.508 20 0 GHADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COC(c1ccccc1)c1ccccc1 ZINC000574686261 900971521 /nfs/dbraw/zinc/97/15/21/900971521.db2.gz LREYXSKCSBSILJ-VHYCJAOWSA-N 2 1 394.559 3.760 20 0 GHADMP COc1ccc(-c2ncc(C[N@@H+](C)CC3CC[NH+](C)CC3)s2)cc1OC ZINC001144064457 901009087 /nfs/dbraw/zinc/00/90/87/901009087.db2.gz FQBLNIGYJQKGCT-UHFFFAOYSA-N 2 1 375.538 3.601 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CC12CCOCC2 ZINC000574811371 901019860 /nfs/dbraw/zinc/01/98/60/901019860.db2.gz JYAWCDFAVHUAPD-QGZVFWFLSA-N 2 1 388.458 3.944 20 0 GHADMP COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c(OC)c1OC ZINC000886506353 901095123 /nfs/dbraw/zinc/09/51/23/901095123.db2.gz NNXRKZHOKGOUSG-JBACZVJFSA-N 2 1 396.531 3.855 20 0 GHADMP COc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c(OC)c1OC ZINC000886506353 901095135 /nfs/dbraw/zinc/09/51/35/901095135.db2.gz NNXRKZHOKGOUSG-JBACZVJFSA-N 2 1 396.531 3.855 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000886541134 901141616 /nfs/dbraw/zinc/14/16/16/901141616.db2.gz RAMSUNLONDHGDS-UHOSZYNNSA-N 2 1 378.442 3.588 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886541134 901141624 /nfs/dbraw/zinc/14/16/24/901141624.db2.gz RAMSUNLONDHGDS-UHOSZYNNSA-N 2 1 378.442 3.588 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886609461 901188987 /nfs/dbraw/zinc/18/89/87/901188987.db2.gz USTWBASFFZXRBV-FAWUNYRSSA-N 2 1 382.573 3.708 20 0 GHADMP Cc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)nc(N2CCCC2)n1 ZINC000886614431 901190904 /nfs/dbraw/zinc/19/09/04/901190904.db2.gz WUCUFYPXODBRBS-FUDKSRODSA-N 2 1 391.563 3.528 20 0 GHADMP Cc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc(N2CCCC2)n1 ZINC000886614431 901190911 /nfs/dbraw/zinc/19/09/11/901190911.db2.gz WUCUFYPXODBRBS-FUDKSRODSA-N 2 1 391.563 3.528 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000576605838 902124938 /nfs/dbraw/zinc/12/49/38/902124938.db2.gz YCPWCXDBOBKZAP-RLLQIKCJSA-N 2 1 392.971 3.859 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3cc(Br)cs3)no1)CC[NH2+]CC2 ZINC000333619522 902227367 /nfs/dbraw/zinc/22/73/67/902227367.db2.gz TZTQDHYHYXUZTB-NSHDSACASA-N 2 1 397.342 3.525 20 0 GHADMP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1OCc1ccccc1 ZINC001144495346 902277484 /nfs/dbraw/zinc/27/74/84/902277484.db2.gz WZFAVTVVDMQHMZ-UHFFFAOYSA-N 2 1 389.499 3.991 20 0 GHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000576977267 902400086 /nfs/dbraw/zinc/40/00/86/902400086.db2.gz DCBGSEPPFYUXNR-IERDGZPVSA-N 2 1 384.495 3.832 20 0 GHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000576977267 902400090 /nfs/dbraw/zinc/40/00/90/902400090.db2.gz DCBGSEPPFYUXNR-IERDGZPVSA-N 2 1 384.495 3.832 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C(C)(C)C)CC3)CC2)CC1 ZINC000577089541 902494801 /nfs/dbraw/zinc/49/48/01/902494801.db2.gz XGOQCNOWJYRIGP-FQEVSTJZSA-N 2 1 377.617 3.858 20 0 GHADMP Cc1sc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1-c1cn(CCCCCC[NH3+])nn1 ZINC000887533709 902735893 /nfs/dbraw/zinc/73/58/93/902735893.db2.gz FUNWKURHBXGVTF-ALOPSCKCSA-N 2 1 388.585 3.569 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCCCc3ccccc3)CC2)CC1 ZINC000577409344 902749459 /nfs/dbraw/zinc/74/94/59/902749459.db2.gz VFIKLDCJLANNOG-UHFFFAOYSA-N 2 1 385.596 3.712 20 0 GHADMP [NH3+]CCCCCn1cc(-c2csc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)n2)nn1 ZINC000887541197 902774868 /nfs/dbraw/zinc/77/48/68/902774868.db2.gz BXXGCZYGOCVZDK-GOSISDBHSA-N 2 1 396.564 3.520 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)C2)cc1 ZINC000577615995 902956016 /nfs/dbraw/zinc/95/60/16/902956016.db2.gz DEVYRYKWLMSAKO-QHCPKHFHSA-N 2 1 377.536 3.569 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)C2)cc1 ZINC000577615995 902956018 /nfs/dbraw/zinc/95/60/18/902956018.db2.gz DEVYRYKWLMSAKO-QHCPKHFHSA-N 2 1 377.536 3.569 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000577637919 902985198 /nfs/dbraw/zinc/98/51/98/902985198.db2.gz JQOMIILHPLOQBN-SIIHOXLZSA-N 2 1 378.467 3.711 20 0 GHADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000600854633 903008303 /nfs/dbraw/zinc/00/83/03/903008303.db2.gz OPZYTMKJPKZRLO-NJYVYQBISA-N 2 1 388.600 3.564 20 0 GHADMP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000577655726 903009668 /nfs/dbraw/zinc/00/96/68/903009668.db2.gz WITAYYZWPMPAPI-MRXNPFEDSA-N 2 1 378.948 3.871 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000577741974 903147401 /nfs/dbraw/zinc/14/74/01/903147401.db2.gz PDLFQDBHECQOLP-ZINXYGQCSA-N 2 1 397.950 3.595 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846926395 903309653 /nfs/dbraw/zinc/30/96/53/903309653.db2.gz WHWGLQITVFFEBL-OALUTQOASA-N 2 1 390.572 3.712 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846926395 903309668 /nfs/dbraw/zinc/30/96/68/903309668.db2.gz WHWGLQITVFFEBL-OALUTQOASA-N 2 1 390.572 3.712 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CCCC3(CCC[N@H+](C[C@@H]4CCO[C@H](C)C4)C3)C2)CCO1 ZINC000578003043 903435197 /nfs/dbraw/zinc/43/51/97/903435197.db2.gz VWJIRFGOUKUNAA-CDFDCGRVSA-N 2 1 378.601 3.795 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OCc1cccnc1 ZINC000290597492 914748436 /nfs/dbraw/zinc/74/84/36/914748436.db2.gz VSJQVDJAFDSHDI-JOCHJYFZSA-N 2 1 395.547 3.833 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)noc3-c3ccccc3)CC2)CC1 ZINC000578377794 903781744 /nfs/dbraw/zinc/78/17/44/903781744.db2.gz ZEXOGQBVSIIZMM-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)CC1 ZINC001147413298 903785606 /nfs/dbraw/zinc/78/56/06/903785606.db2.gz KRNDRQJNTVXZRP-HSZRJFAPSA-N 2 1 385.596 3.723 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC001147479966 903797997 /nfs/dbraw/zinc/79/79/97/903797997.db2.gz ZOODEWNUCHMSKQ-VQIMIIECSA-N 2 1 399.501 3.936 20 0 GHADMP COc1cccc2c1C[C@H](Nc1ccc3c(c1)[nH+]cn3[C@H]1CCC[NH2+]CC1)CO2 ZINC001171312403 903839553 /nfs/dbraw/zinc/83/95/53/903839553.db2.gz GKUFAHLBKGSUNX-ROUUACIJSA-N 2 1 392.503 3.775 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CCC2)o1 ZINC000578580010 903980479 /nfs/dbraw/zinc/98/04/79/903980479.db2.gz PVJAFWUDCPJXAB-FYYLOGMGSA-N 2 1 395.547 3.916 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000578902527 904212073 /nfs/dbraw/zinc/21/20/73/904212073.db2.gz AWPRSSOXVMIPJD-KDURUIRLSA-N 2 1 379.548 3.596 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369742 904368447 /nfs/dbraw/zinc/36/84/47/904368447.db2.gz IHOFFNAODZVKLN-JXHRLWIKSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369742 904368461 /nfs/dbraw/zinc/36/84/61/904368461.db2.gz IHOFFNAODZVKLN-JXHRLWIKSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369742 904368476 /nfs/dbraw/zinc/36/84/76/904368476.db2.gz IHOFFNAODZVKLN-JXHRLWIKSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369742 904368487 /nfs/dbraw/zinc/36/84/87/904368487.db2.gz IHOFFNAODZVKLN-JXHRLWIKSA-N 2 1 390.518 3.502 20 0 GHADMP CCOC[C@@H]1CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@H](COCC)C3)c2)C1 ZINC000579435949 904600624 /nfs/dbraw/zinc/60/06/24/904600624.db2.gz XCDADQZRJMHACS-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP CCOC[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](COCC)C3)c2)C1 ZINC000579435949 904600638 /nfs/dbraw/zinc/60/06/38/904600638.db2.gz XCDADQZRJMHACS-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP CCOC[C@@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@H](COCC)C3)c2)C1 ZINC000579435949 904600649 /nfs/dbraw/zinc/60/06/49/904600649.db2.gz XCDADQZRJMHACS-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)COc1ccccc1Cl ZINC000579463418 904628342 /nfs/dbraw/zinc/62/83/42/904628342.db2.gz SBYSFPGZNDIGFG-IAGOWNOFSA-N 2 1 394.968 3.643 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)COc1ccccc1Cl ZINC000579463418 904628348 /nfs/dbraw/zinc/62/83/48/904628348.db2.gz SBYSFPGZNDIGFG-IAGOWNOFSA-N 2 1 394.968 3.643 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]21 ZINC000579474133 904634167 /nfs/dbraw/zinc/63/41/67/904634167.db2.gz GEZSNHIWAZMWGF-IAOVAPTHSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@H]21 ZINC000579474133 904634175 /nfs/dbraw/zinc/63/41/75/904634175.db2.gz GEZSNHIWAZMWGF-IAOVAPTHSA-N 2 1 376.298 3.663 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483267 904727290 /nfs/dbraw/zinc/72/72/90/904727290.db2.gz TVKWDTYVMDJORK-SXWKCWPCSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483267 904727296 /nfs/dbraw/zinc/72/72/96/904727296.db2.gz TVKWDTYVMDJORK-SXWKCWPCSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171483267 904727304 /nfs/dbraw/zinc/72/73/04/904727304.db2.gz TVKWDTYVMDJORK-SXWKCWPCSA-N 2 1 390.518 3.502 20 0 GHADMP Cc1cccc2c1CC[C@@H]([NH+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C1)C2 ZINC001171570771 904838414 /nfs/dbraw/zinc/83/84/14/904838414.db2.gz IJOUKRQYMVDEQA-AHCIIZGASA-N 2 1 392.591 3.922 20 0 GHADMP Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C1)C2 ZINC001171570771 904838425 /nfs/dbraw/zinc/83/84/25/904838425.db2.gz IJOUKRQYMVDEQA-AHCIIZGASA-N 2 1 392.591 3.922 20 0 GHADMP Cc1cccc2c1CC[C@@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C1)C2 ZINC001171570771 904838440 /nfs/dbraw/zinc/83/84/40/904838440.db2.gz IJOUKRQYMVDEQA-AHCIIZGASA-N 2 1 392.591 3.922 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001171659598 904901726 /nfs/dbraw/zinc/90/17/26/904901726.db2.gz DXRWFBLCXAAPHI-SFHVURJKSA-N 2 1 375.557 3.634 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000646788879 914854038 /nfs/dbraw/zinc/85/40/38/914854038.db2.gz QFXFHQDFFUQICL-LJQANCHMSA-N 2 1 399.579 3.544 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@H]12 ZINC001171638344 904928079 /nfs/dbraw/zinc/92/80/79/904928079.db2.gz UEZXLUPEUACHJI-DHLKQENFSA-N 2 1 397.607 3.902 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1(C)C ZINC001171638118 904928354 /nfs/dbraw/zinc/92/83/54/904928354.db2.gz RVXDBDSVKNSSJT-WIYYLYMNSA-N 2 1 389.559 3.614 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1(C)C ZINC001171639572 904930425 /nfs/dbraw/zinc/93/04/25/904930425.db2.gz PJCJLCDAJZYDMY-IRXDYDNUSA-N 2 1 379.589 3.827 20 0 GHADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000646816018 914863072 /nfs/dbraw/zinc/86/30/72/914863072.db2.gz DOVWVQIPOJEYJW-NRFANRHFSA-N 2 1 379.548 3.950 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171956825 905164095 /nfs/dbraw/zinc/16/40/95/905164095.db2.gz QHHHDTCAPVUAFJ-RKXGBWJPSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171956825 905164102 /nfs/dbraw/zinc/16/41/02/905164102.db2.gz QHHHDTCAPVUAFJ-RKXGBWJPSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001171956825 905164110 /nfs/dbraw/zinc/16/41/10/905164110.db2.gz QHHHDTCAPVUAFJ-RKXGBWJPSA-N 2 1 384.564 3.952 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171993660 905204524 /nfs/dbraw/zinc/20/45/24/905204524.db2.gz ODFORGOEMQYWLB-MRXNPFEDSA-N 2 1 380.374 3.739 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982510 905236009 /nfs/dbraw/zinc/23/60/09/905236009.db2.gz UQEOGPYGIJVJNK-CQOQZXRMSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982510 905236017 /nfs/dbraw/zinc/23/60/17/905236017.db2.gz UQEOGPYGIJVJNK-CQOQZXRMSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982510 905236026 /nfs/dbraw/zinc/23/60/26/905236026.db2.gz UQEOGPYGIJVJNK-CQOQZXRMSA-N 2 1 386.580 3.947 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CCc3ccccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171983204 905237598 /nfs/dbraw/zinc/23/75/98/905237598.db2.gz NMNOTQLQUSGSHH-IRLDBZIGSA-N 2 1 377.532 3.973 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CCc3ccccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171983204 905237612 /nfs/dbraw/zinc/23/76/12/905237612.db2.gz NMNOTQLQUSGSHH-IRLDBZIGSA-N 2 1 377.532 3.973 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171983215 905239227 /nfs/dbraw/zinc/23/92/27/905239227.db2.gz NMNOTQLQUSGSHH-UNMCSNQZSA-N 2 1 377.532 3.973 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171983215 905239238 /nfs/dbraw/zinc/23/92/38/905239238.db2.gz NMNOTQLQUSGSHH-UNMCSNQZSA-N 2 1 377.532 3.973 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(C(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984887 905242148 /nfs/dbraw/zinc/24/21/48/905242148.db2.gz PUQWVQIMOJRQKF-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987583 905250626 /nfs/dbraw/zinc/25/06/26/905250626.db2.gz XXNPWWKPUPKXFZ-FGZHOGPDSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987583 905250643 /nfs/dbraw/zinc/25/06/43/905250643.db2.gz XXNPWWKPUPKXFZ-FGZHOGPDSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987583 905250659 /nfs/dbraw/zinc/25/06/59/905250659.db2.gz XXNPWWKPUPKXFZ-FGZHOGPDSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987583 905250667 /nfs/dbraw/zinc/25/06/67/905250667.db2.gz XXNPWWKPUPKXFZ-FGZHOGPDSA-N 2 1 398.595 3.699 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCn2nnc4ccccc42)C3)cc1 ZINC001172073736 905281884 /nfs/dbraw/zinc/28/18/84/905281884.db2.gz SHLFJAXDQCQQOI-WKCHPHFGSA-N 2 1 375.520 3.607 20 0 GHADMP O=c1ccc2c([nH]1)CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)CC2 ZINC001172076957 905286164 /nfs/dbraw/zinc/28/61/64/905286164.db2.gz BXZIIYNCCMZROL-KOUNCHBCSA-N 2 1 377.532 3.774 20 0 GHADMP O=c1ccc2c([nH]1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172076957 905286179 /nfs/dbraw/zinc/28/61/79/905286179.db2.gz BXZIIYNCCMZROL-KOUNCHBCSA-N 2 1 377.532 3.774 20 0 GHADMP O=c1ccc2c([nH]1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172076957 905286197 /nfs/dbraw/zinc/28/61/97/905286197.db2.gz BXZIIYNCCMZROL-KOUNCHBCSA-N 2 1 377.532 3.774 20 0 GHADMP c1cnn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)c1 ZINC001172076598 905287996 /nfs/dbraw/zinc/28/79/96/905287996.db2.gz JMLWSNFZMFONFT-WBDAEOGXSA-N 2 1 387.531 3.943 20 0 GHADMP c1cnn(-c2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn2)c1 ZINC001172076598 905288009 /nfs/dbraw/zinc/28/80/09/905288009.db2.gz JMLWSNFZMFONFT-WBDAEOGXSA-N 2 1 387.531 3.943 20 0 GHADMP CC[NH+](CC)C[C@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172086646 905301659 /nfs/dbraw/zinc/30/16/59/905301659.db2.gz HSCDVVKPAYBLJP-KIHHCIJBSA-N 2 1 385.596 3.615 20 0 GHADMP CN1C(=O)CC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@H]21 ZINC001172087747 905302886 /nfs/dbraw/zinc/30/28/86/905302886.db2.gz LNQODXVHPIHOLQ-MHMIHQHRSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@H]21 ZINC001172087747 905302902 /nfs/dbraw/zinc/30/29/02/905302902.db2.gz LNQODXVHPIHOLQ-MHMIHQHRSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@H]21 ZINC001172087747 905302920 /nfs/dbraw/zinc/30/29/20/905302920.db2.gz LNQODXVHPIHOLQ-MHMIHQHRSA-N 2 1 381.564 3.515 20 0 GHADMP CN1CC2(CC1=O)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172087908 905305013 /nfs/dbraw/zinc/30/50/13/905305013.db2.gz MTAJVRVBXIGIQD-KOUNCHBCSA-N 2 1 381.564 3.516 20 0 GHADMP CC(C)(C)OC(=O)N1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061365 905323223 /nfs/dbraw/zinc/32/32/23/905323223.db2.gz GQZLMRVRPKIVIB-NUZGMZIFSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N1CC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061365 905323242 /nfs/dbraw/zinc/32/32/42/905323242.db2.gz GQZLMRVRPKIVIB-NUZGMZIFSA-N 2 1 385.552 3.781 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172064388 905327883 /nfs/dbraw/zinc/32/78/83/905327883.db2.gz FOFZZZHFLGBCEG-HSALFYBXSA-N 2 1 391.600 3.972 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172064388 905327899 /nfs/dbraw/zinc/32/78/99/905327899.db2.gz FOFZZZHFLGBCEG-HSALFYBXSA-N 2 1 391.600 3.972 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172064388 905327919 /nfs/dbraw/zinc/32/79/19/905327919.db2.gz FOFZZZHFLGBCEG-HSALFYBXSA-N 2 1 391.600 3.972 20 0 GHADMP COc1cccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172063284 905328048 /nfs/dbraw/zinc/32/80/48/905328048.db2.gz BPLIBSXPBYNSPH-YCSHWKNNSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172063284 905328066 /nfs/dbraw/zinc/32/80/66/905328066.db2.gz BPLIBSXPBYNSPH-YCSHWKNNSA-N 2 1 380.532 3.904 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC001172067527 905333019 /nfs/dbraw/zinc/33/30/19/905333019.db2.gz GEGSFVFJVYZUFA-CWBXHPNXSA-N 2 1 391.563 3.621 20 0 GHADMP CCC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132828 905343669 /nfs/dbraw/zinc/34/36/69/905343669.db2.gz OOCFQRKHYSZOGB-VNTMZGSJSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172132828 905343685 /nfs/dbraw/zinc/34/36/85/905343685.db2.gz OOCFQRKHYSZOGB-VNTMZGSJSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172132828 905343694 /nfs/dbraw/zinc/34/36/94/905343694.db2.gz OOCFQRKHYSZOGB-VNTMZGSJSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172132828 905343714 /nfs/dbraw/zinc/34/37/14/905343714.db2.gz OOCFQRKHYSZOGB-VNTMZGSJSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1cccc(F)c1)[C@@H]1CO[C@]3(C1)CCC[NH2+]C3)C2 ZINC001172117328 905371243 /nfs/dbraw/zinc/37/12/43/905371243.db2.gz IXNFNJRIOPMGLR-MXZFZVOGSA-N 2 1 387.543 3.559 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172121910 905382863 /nfs/dbraw/zinc/38/28/63/905382863.db2.gz VJKPQRPHNAKBCQ-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172121910 905382882 /nfs/dbraw/zinc/38/28/82/905382882.db2.gz VJKPQRPHNAKBCQ-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172121910 905382901 /nfs/dbraw/zinc/38/29/01/905382901.db2.gz VJKPQRPHNAKBCQ-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C1)C2 ZINC001172122325 905382972 /nfs/dbraw/zinc/38/29/72/905382972.db2.gz PBZQATNTCCOIQP-MFKCLSPESA-N 2 1 376.585 3.832 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C1)C2 ZINC001172122325 905382989 /nfs/dbraw/zinc/38/29/89/905382989.db2.gz PBZQATNTCCOIQP-MFKCLSPESA-N 2 1 376.585 3.832 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C1)C2 ZINC001172122325 905383015 /nfs/dbraw/zinc/38/30/15/905383015.db2.gz PBZQATNTCCOIQP-MFKCLSPESA-N 2 1 376.585 3.832 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CSc4ccccc4C3)CC[C@@H]21 ZINC001172202446 905398263 /nfs/dbraw/zinc/39/82/63/905398263.db2.gz SODHZRGQDNIYCM-MBDNFAEBSA-N 2 1 396.604 3.773 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CSc4ccccc4C3)CC[C@@H]21 ZINC001172202446 905398270 /nfs/dbraw/zinc/39/82/70/905398270.db2.gz SODHZRGQDNIYCM-MBDNFAEBSA-N 2 1 396.604 3.773 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CSc4ccccc4C3)CC[C@@H]21 ZINC001172202446 905398278 /nfs/dbraw/zinc/39/82/78/905398278.db2.gz SODHZRGQDNIYCM-MBDNFAEBSA-N 2 1 396.604 3.773 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CSc4ccccc4C3)CC[C@@H]21 ZINC001172202446 905398289 /nfs/dbraw/zinc/39/82/89/905398289.db2.gz SODHZRGQDNIYCM-MBDNFAEBSA-N 2 1 396.604 3.773 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC001172211271 905411655 /nfs/dbraw/zinc/41/16/55/905411655.db2.gz SOEGRMVANCJYRJ-OBXNSHGQSA-N 2 1 378.944 3.767 20 0 GHADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001172469085 905551174 /nfs/dbraw/zinc/55/11/74/905551174.db2.gz ZNSUPTWOEKDEBB-TUACAJSNSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172469085 905551188 /nfs/dbraw/zinc/55/11/88/905551188.db2.gz ZNSUPTWOEKDEBB-TUACAJSNSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172469085 905551195 /nfs/dbraw/zinc/55/11/95/905551195.db2.gz ZNSUPTWOEKDEBB-TUACAJSNSA-N 2 1 392.628 3.898 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175457742 905568431 /nfs/dbraw/zinc/56/84/31/905568431.db2.gz OPRUOGQTDUMTOJ-DENIHFKCSA-N 2 1 397.567 3.666 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175457742 905568449 /nfs/dbraw/zinc/56/84/49/905568449.db2.gz OPRUOGQTDUMTOJ-DENIHFKCSA-N 2 1 397.567 3.666 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H](n3c[nH+]cc3C3CC[NH2+]CC3)CC[C@H]2C1 ZINC001172531704 905594371 /nfs/dbraw/zinc/59/43/71/905594371.db2.gz OPJLIKLGPNXGIA-FDFHNCONSA-N 2 1 392.547 3.854 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C2(C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001172597060 905658438 /nfs/dbraw/zinc/65/84/38/905658438.db2.gz OMUYHQBCJJWAFB-FUHWJXTLSA-N 2 1 377.504 3.656 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC(NCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172637834 905698812 /nfs/dbraw/zinc/69/88/12/905698812.db2.gz SOOJREBOTAFRKV-QFBILLFUSA-N 2 1 398.469 3.991 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172637834 905698825 /nfs/dbraw/zinc/69/88/25/905698825.db2.gz SOOJREBOTAFRKV-QFBILLFUSA-N 2 1 398.469 3.991 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)NC(=O)OC(C)(C)C ZINC000801586001 921168779 /nfs/dbraw/zinc/16/87/79/921168779.db2.gz XQVMPCZEMVAMLO-IEBWSBKVSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)NC(=O)OC(C)(C)C ZINC000801586001 921168783 /nfs/dbraw/zinc/16/87/83/921168783.db2.gz XQVMPCZEMVAMLO-IEBWSBKVSA-N 2 1 375.557 3.790 20 0 GHADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172668146 905753424 /nfs/dbraw/zinc/75/34/24/905753424.db2.gz VRHKDDPIROMMDZ-LJQANCHMSA-N 2 1 397.950 3.781 20 0 GHADMP CC1([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001172677654 905758704 /nfs/dbraw/zinc/75/87/04/905758704.db2.gz AQAQPFJDXSYNDT-HSZRJFAPSA-N 2 1 391.559 3.822 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172680884 905762562 /nfs/dbraw/zinc/76/25/62/905762562.db2.gz WKKKVWQTABBDFY-DEOSSOPVSA-N 2 1 391.559 3.774 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001172807406 905839206 /nfs/dbraw/zinc/83/92/06/905839206.db2.gz MYEOFVUNLGZZCL-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001172807406 905839220 /nfs/dbraw/zinc/83/92/20/905839220.db2.gz MYEOFVUNLGZZCL-RXVVDRJESA-N 2 1 376.516 3.844 20 0 GHADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(C3CC[NH+](CC(=O)OC(C)(C)C)CC3)c2c1 ZINC001172887872 905976168 /nfs/dbraw/zinc/97/61/68/905976168.db2.gz QNUOSFXGVQJKJL-KRWDZBQOSA-N 2 1 385.552 3.818 20 0 GHADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001172891441 905978694 /nfs/dbraw/zinc/97/86/94/905978694.db2.gz HTAKDMAYEHSKNJ-UHFFFAOYSA-N 2 1 391.943 3.775 20 0 GHADMP CC[NH+](CC)C1CCC(N2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)CC1 ZINC001173110036 906196787 /nfs/dbraw/zinc/19/67/87/906196787.db2.gz GODWBBWBOMOLNK-UHFFFAOYSA-N 2 1 387.616 3.504 20 0 GHADMP CC[NH+](CC)C1CCC([NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)CC1 ZINC001173110036 906196795 /nfs/dbraw/zinc/19/67/95/906196795.db2.gz GODWBBWBOMOLNK-UHFFFAOYSA-N 3 1 387.616 3.504 20 0 GHADMP CC[NH+](CC)C1CCC([NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)CC1 ZINC001173110036 906196801 /nfs/dbraw/zinc/19/68/01/906196801.db2.gz GODWBBWBOMOLNK-UHFFFAOYSA-N 3 1 387.616 3.504 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001173110129 906197150 /nfs/dbraw/zinc/19/71/50/906197150.db2.gz PFWQOTOPDRQJGY-UVHRUJRTSA-N 2 1 379.589 3.828 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173133773 906214591 /nfs/dbraw/zinc/21/45/91/906214591.db2.gz FCRAEAHBUOCBKZ-PMACEKPBSA-N 2 1 397.588 3.756 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C1)CO2 ZINC001173166833 906224469 /nfs/dbraw/zinc/22/44/69/906224469.db2.gz PEUMTUCKDOVIEO-BDTNDASRSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C1)CO2 ZINC001173166833 906224485 /nfs/dbraw/zinc/22/44/85/906224485.db2.gz PEUMTUCKDOVIEO-BDTNDASRSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C1)CO2 ZINC001173166833 906224500 /nfs/dbraw/zinc/22/45/00/906224500.db2.gz PEUMTUCKDOVIEO-BDTNDASRSA-N 2 1 392.543 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](Cc1cccc(F)c1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173158129 906245356 /nfs/dbraw/zinc/24/53/56/906245356.db2.gz FIRGXVIAIXZKCD-UFYCRDLUSA-N 2 1 384.495 3.910 20 0 GHADMP CCCC[C@H](CC(C)C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001173261064 906342565 /nfs/dbraw/zinc/34/25/65/906342565.db2.gz OAMSSZFEROWZHQ-HXUWFJFHSA-N 2 1 391.604 3.701 20 0 GHADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001173263279 906344422 /nfs/dbraw/zinc/34/44/22/906344422.db2.gz VNMROMFNTJYXPK-DNVJHFABSA-N 2 1 379.633 3.852 20 0 GHADMP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001173263279 906344435 /nfs/dbraw/zinc/34/44/35/906344435.db2.gz VNMROMFNTJYXPK-DNVJHFABSA-N 2 1 379.633 3.852 20 0 GHADMP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001173263279 906344448 /nfs/dbraw/zinc/34/44/48/906344448.db2.gz VNMROMFNTJYXPK-DNVJHFABSA-N 2 1 379.633 3.852 20 0 GHADMP CCSC[C@@H](C)[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3nccs3)C2)CC1 ZINC001173302212 906360653 /nfs/dbraw/zinc/36/06/53/906360653.db2.gz PQLZCLIXCGBHDL-IAGOWNOFSA-N 2 1 383.627 3.588 20 0 GHADMP CC[C@@H]1CC[C@@H]([NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)C1 ZINC001173280103 906366311 /nfs/dbraw/zinc/36/63/11/906366311.db2.gz SEUHVNOSMQYHRN-WOJBJXKFSA-N 2 1 383.580 3.816 20 0 GHADMP COc1ccc(C(=O)N2CCC([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)CC2)cc1 ZINC001173403795 906429610 /nfs/dbraw/zinc/42/96/10/906429610.db2.gz IDAKRCFWZURUFN-QFIPXVFZSA-N 2 1 399.579 3.544 20 0 GHADMP COc1ccc(C(=O)N2CCC([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)CC2)cc1 ZINC001173403795 906429622 /nfs/dbraw/zinc/42/96/22/906429622.db2.gz IDAKRCFWZURUFN-QFIPXVFZSA-N 2 1 399.579 3.544 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@@H+](C3CCCC3)C3CCN(C)CC3)CC2)cc1 ZINC001173411119 906437168 /nfs/dbraw/zinc/43/71/68/906437168.db2.gz HDDIKLRAKNENLI-UHFFFAOYSA-N 2 1 399.579 3.639 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(F)cc1F ZINC000365906505 921242109 /nfs/dbraw/zinc/24/21/09/921242109.db2.gz MVPDKMABSADDRR-UHFFFAOYSA-N 2 1 394.510 3.625 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001173622507 906571947 /nfs/dbraw/zinc/57/19/47/906571947.db2.gz KGPPIDUWBAPXSM-JQRJDGPTSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+](C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001173622507 906571958 /nfs/dbraw/zinc/57/19/58/906571958.db2.gz KGPPIDUWBAPXSM-JQRJDGPTSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+](C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001173622507 906571969 /nfs/dbraw/zinc/57/19/69/906571969.db2.gz KGPPIDUWBAPXSM-JQRJDGPTSA-N 2 1 384.564 3.952 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173668342 906607269 /nfs/dbraw/zinc/60/72/69/906607269.db2.gz ZLXZUQUTQSQCPV-MJGOQNOKSA-N 2 1 383.502 3.761 20 0 GHADMP COc1cc(N2CCC([NH+](C)C)CC2)ccc1Nc1cc[nH+]c2ccccc12 ZINC001174040404 906799142 /nfs/dbraw/zinc/79/91/42/906799142.db2.gz HYOZBTIYUHTWMN-UHFFFAOYSA-N 2 1 376.504 3.939 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1C(F)(F)F ZINC000629566432 906872195 /nfs/dbraw/zinc/87/21/95/906872195.db2.gz YSZSPWVMPMAQLP-VQIMIIECSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1C(F)(F)F ZINC000629566432 906872206 /nfs/dbraw/zinc/87/22/06/906872206.db2.gz YSZSPWVMPMAQLP-VQIMIIECSA-N 2 1 379.426 3.620 20 0 GHADMP C[C@@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630592 907042954 /nfs/dbraw/zinc/04/29/54/907042954.db2.gz YDTHIMZMYOIGTH-IAGOWNOFSA-N 2 1 383.536 3.877 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479786 907306609 /nfs/dbraw/zinc/30/66/09/907306609.db2.gz ZBISISUMQIGQDT-HSALFYBXSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479786 907306628 /nfs/dbraw/zinc/30/66/28/907306628.db2.gz ZBISISUMQIGQDT-HSALFYBXSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479786 907306639 /nfs/dbraw/zinc/30/66/39/907306639.db2.gz ZBISISUMQIGQDT-HSALFYBXSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000779479786 907306655 /nfs/dbraw/zinc/30/66/55/907306655.db2.gz ZBISISUMQIGQDT-HSALFYBXSA-N 2 1 379.589 3.972 20 0 GHADMP COCC[N@@H+](Cc1cccc(Cl)c1Br)CC1CC[NH+](C)CC1 ZINC001175203566 907410468 /nfs/dbraw/zinc/41/04/68/907410468.db2.gz QSVOEMZJUZZITD-UHFFFAOYSA-N 2 1 389.765 3.893 20 0 GHADMP COCC[N@H+](Cc1cccc(Cl)c1Br)CC1CC[NH+](C)CC1 ZINC001175203566 907410477 /nfs/dbraw/zinc/41/04/77/907410477.db2.gz QSVOEMZJUZZITD-UHFFFAOYSA-N 2 1 389.765 3.893 20 0 GHADMP CCOc1ccccc1NC(=O)CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001175601288 907629410 /nfs/dbraw/zinc/62/94/10/907629410.db2.gz JKFYYBIMMDBJPI-UHFFFAOYSA-N 2 1 375.557 3.714 20 0 GHADMP COc1ncc(Br)cc1C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001175600675 907630276 /nfs/dbraw/zinc/63/02/76/907630276.db2.gz ABLPWZUDNFWHGK-UHFFFAOYSA-N 2 1 384.362 3.653 20 0 GHADMP COc1ccccc1[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001175620252 907671059 /nfs/dbraw/zinc/67/10/59/907671059.db2.gz BAFFUZVWKMLKOC-YADHBBJMSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC001175620252 907671070 /nfs/dbraw/zinc/67/10/70/907671070.db2.gz BAFFUZVWKMLKOC-YADHBBJMSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001175620252 907671076 /nfs/dbraw/zinc/67/10/76/907671076.db2.gz BAFFUZVWKMLKOC-YADHBBJMSA-N 2 1 382.548 3.758 20 0 GHADMP COc1ccccc1[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001175620252 907671079 /nfs/dbraw/zinc/67/10/79/907671079.db2.gz BAFFUZVWKMLKOC-YADHBBJMSA-N 2 1 382.548 3.758 20 0 GHADMP Clc1ccc(N2CCN(CCC[N@H+]3CC[C@@H](c4nccs4)C3)CC2)cc1 ZINC001175733654 907710260 /nfs/dbraw/zinc/71/02/60/907710260.db2.gz PGJAWRDHFQKAKR-QGZVFWFLSA-N 2 1 390.984 3.798 20 0 GHADMP C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000186658412 907962496 /nfs/dbraw/zinc/96/24/96/907962496.db2.gz FPSLSNOXFZSQPJ-SBUREZEXSA-N 2 1 396.510 3.940 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OC(=O)C1CC1 ZINC000192922868 908016452 /nfs/dbraw/zinc/01/64/52/908016452.db2.gz PIXINGPNYFTLJA-HXUWFJFHSA-N 2 1 394.515 3.622 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000187306843 908072392 /nfs/dbraw/zinc/07/23/92/908072392.db2.gz LLMCOIMDKSYKMA-XZOQPEGZSA-N 2 1 395.547 3.615 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000189955441 908391789 /nfs/dbraw/zinc/39/17/89/908391789.db2.gz IWHVNRCDBNSPNZ-LIMIJEPZSA-N 2 1 379.548 3.635 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001177157154 908435379 /nfs/dbraw/zinc/43/53/79/908435379.db2.gz GRWCRZNAQDKIBW-BGYRXZFFSA-N 2 1 375.601 3.622 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC001177283343 908516480 /nfs/dbraw/zinc/51/64/80/908516480.db2.gz XDFLWUIZJVWXDI-QZTJIDSGSA-N 2 1 398.620 3.977 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000195008548 908982187 /nfs/dbraw/zinc/98/21/87/908982187.db2.gz PWSWYSNSSHXZLI-HXUWFJFHSA-N 2 1 383.502 3.740 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NCCCCn2cc[nH+]c2C)cc1 ZINC000266366022 909099851 /nfs/dbraw/zinc/09/98/51/909099851.db2.gz AYJLGMKEJRLTBF-UHFFFAOYSA-N 2 1 387.528 3.514 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)c1cccc(C(F)(F)F)c1 ZINC001178710193 909201254 /nfs/dbraw/zinc/20/12/54/909201254.db2.gz XCFYYLPKAHTMCX-DLBZAZTESA-N 2 1 385.474 3.545 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[N@@H+](C)CC1(C)C)c1cccc(C(F)(F)F)c1 ZINC001178710193 909201264 /nfs/dbraw/zinc/20/12/64/909201264.db2.gz XCFYYLPKAHTMCX-DLBZAZTESA-N 2 1 385.474 3.545 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)c1cccc(C(F)(F)F)c1 ZINC001178710196 909202609 /nfs/dbraw/zinc/20/26/09/909202609.db2.gz XCFYYLPKAHTMCX-SJORKVTESA-N 2 1 385.474 3.545 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C)c1cccc(C(F)(F)F)c1 ZINC001178710196 909202616 /nfs/dbraw/zinc/20/26/16/909202616.db2.gz XCFYYLPKAHTMCX-SJORKVTESA-N 2 1 385.474 3.545 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001178728645 909222407 /nfs/dbraw/zinc/22/24/07/909222407.db2.gz KHDMXCPLSKVVBA-HUVFLSCGSA-N 2 1 391.559 3.708 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000267179268 909410481 /nfs/dbraw/zinc/41/04/81/909410481.db2.gz NMMZMDANGYPPEW-UHFFFAOYSA-N 2 1 394.563 3.708 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001179339162 909497240 /nfs/dbraw/zinc/49/72/40/909497240.db2.gz XEZSJJWZJKSMJK-XMSQKQJNSA-N 2 1 390.531 3.943 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000245667528 909816097 /nfs/dbraw/zinc/81/60/97/909816097.db2.gz BPZPNQIQGWZNSS-WTGUMLROSA-N 2 1 379.589 3.876 20 0 GHADMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C2CCOCC2)n1 ZINC001180051775 909917916 /nfs/dbraw/zinc/91/79/16/909917916.db2.gz LBHQSQSIBDKECU-UHFFFAOYSA-N 2 1 396.579 3.658 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268779185 910012125 /nfs/dbraw/zinc/01/21/25/910012125.db2.gz HXKYMNSDVKLBSE-YKSBVNFPSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268779185 910012139 /nfs/dbraw/zinc/01/21/39/910012139.db2.gz HXKYMNSDVKLBSE-YKSBVNFPSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000268822918 910033965 /nfs/dbraw/zinc/03/39/65/910033965.db2.gz YDCIEHIAXYDFOJ-RDPSFJRHSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccn(C(F)F)c2=O)CCN1Cc1ccccc1 ZINC000638065104 910045271 /nfs/dbraw/zinc/04/52/71/910045271.db2.gz QUFCRHZEZAIGLN-LPHOPBHVSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000638065104 910045284 /nfs/dbraw/zinc/04/52/84/910045284.db2.gz QUFCRHZEZAIGLN-LPHOPBHVSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccn(C(F)F)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000638065104 910045297 /nfs/dbraw/zinc/04/52/97/910045297.db2.gz QUFCRHZEZAIGLN-LPHOPBHVSA-N 2 1 375.463 3.728 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccn(C(F)F)c2=O)CC[NH+]1Cc1ccccc1 ZINC000638065104 910045306 /nfs/dbraw/zinc/04/53/06/910045306.db2.gz QUFCRHZEZAIGLN-LPHOPBHVSA-N 2 1 375.463 3.728 20 0 GHADMP CC(C)(C)[C@@]1(CN2CC[NH+](C3CCOCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638109049 910054954 /nfs/dbraw/zinc/05/49/54/910054954.db2.gz RBZQYASMPURZHB-RUZDIDTESA-N 2 1 399.623 3.721 20 0 GHADMP COc1cc(SC)ccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638312530 910113114 /nfs/dbraw/zinc/11/31/14/910113114.db2.gz UZUFQERNINMMEG-UHFFFAOYSA-N 2 1 399.560 3.739 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638374999 910135479 /nfs/dbraw/zinc/13/54/79/910135479.db2.gz UJOCMJXOJYLOOE-RBBKRZOGSA-N 2 1 399.560 3.516 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638374999 910135485 /nfs/dbraw/zinc/13/54/85/910135485.db2.gz UJOCMJXOJYLOOE-RBBKRZOGSA-N 2 1 399.560 3.516 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382634 910139620 /nfs/dbraw/zinc/13/96/20/910139620.db2.gz XWUVHQYARXJERU-IMFGXOCKSA-N 2 1 381.486 3.828 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382634 910139628 /nfs/dbraw/zinc/13/96/28/910139628.db2.gz XWUVHQYARXJERU-IMFGXOCKSA-N 2 1 381.486 3.828 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1F ZINC000638403208 910148162 /nfs/dbraw/zinc/14/81/62/910148162.db2.gz INEHQRBRCHHLHZ-AVRDEDQJSA-N 2 1 381.495 3.513 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1F ZINC000638403208 910148166 /nfs/dbraw/zinc/14/81/66/910148166.db2.gz INEHQRBRCHHLHZ-AVRDEDQJSA-N 2 1 381.495 3.513 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638628037 910205863 /nfs/dbraw/zinc/20/58/63/910205863.db2.gz JLJFIZHGSASCFU-VWNXMTODSA-N 2 1 391.559 3.889 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638628037 910205875 /nfs/dbraw/zinc/20/58/75/910205875.db2.gz JLJFIZHGSASCFU-VWNXMTODSA-N 2 1 391.559 3.889 20 0 GHADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccc(Cl)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180696932 910311915 /nfs/dbraw/zinc/31/19/15/910311915.db2.gz AGUMMBNJDZORGH-OZOXKJRCSA-N 2 1 385.939 3.757 20 0 GHADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180696932 910311929 /nfs/dbraw/zinc/31/19/29/910311929.db2.gz AGUMMBNJDZORGH-OZOXKJRCSA-N 2 1 385.939 3.757 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000639301799 910380718 /nfs/dbraw/zinc/38/07/18/910380718.db2.gz BVMYUFBTGYPXRJ-DHLKQENFSA-N 3 1 397.607 3.835 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000639301799 910380730 /nfs/dbraw/zinc/38/07/30/910380730.db2.gz BVMYUFBTGYPXRJ-DHLKQENFSA-N 3 1 397.607 3.835 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)C1 ZINC001181471390 910782872 /nfs/dbraw/zinc/78/28/72/910782872.db2.gz FJPGHPMUGDRXBK-NSISKUIASA-N 2 1 394.401 3.904 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001181865542 911048742 /nfs/dbraw/zinc/04/87/42/911048742.db2.gz YEZGVCURIYLVHB-DHIUTWEWSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001181865542 911048757 /nfs/dbraw/zinc/04/87/57/911048757.db2.gz YEZGVCURIYLVHB-DHIUTWEWSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001181865542 911048772 /nfs/dbraw/zinc/04/87/72/911048772.db2.gz YEZGVCURIYLVHB-DHIUTWEWSA-N 2 1 385.596 3.869 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N(Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181868942 911050680 /nfs/dbraw/zinc/05/06/80/911050680.db2.gz PTOYWYBVGOBYPR-MEMLXQNLSA-N 2 1 389.584 3.806 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC1)CC(C)C ZINC000640567266 911069957 /nfs/dbraw/zinc/06/99/57/911069957.db2.gz KFIAFMPLALXRSQ-UHFFFAOYSA-N 2 1 389.588 3.755 20 0 GHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284043535 911732122 /nfs/dbraw/zinc/73/21/22/911732122.db2.gz RWBKGFYRTJMGKY-MOPGFXCFSA-N 2 1 391.968 3.931 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284043547 911732301 /nfs/dbraw/zinc/73/23/01/911732301.db2.gz RWBKGFYRTJMGKY-RBUKOAKNSA-N 2 1 391.968 3.931 20 0 GHADMP CC(C)(C)[C@@]1(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182533285 911858088 /nfs/dbraw/zinc/85/80/88/911858088.db2.gz MTNYXCUIMMXAHK-RPWUZVMVSA-N 2 1 388.596 3.692 20 0 GHADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248393790 912042859 /nfs/dbraw/zinc/04/28/59/912042859.db2.gz FCMGJVFOHISQBP-GNLZIIPMSA-N 2 1 380.532 3.619 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001182826047 912070200 /nfs/dbraw/zinc/07/02/00/912070200.db2.gz NMOHORVVAZGSPJ-UQBPGWFLSA-N 2 1 378.560 3.853 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647179539 915071117 /nfs/dbraw/zinc/07/11/17/915071117.db2.gz CXXAYNQELWUDLA-LLVKDONJSA-N 2 1 388.256 3.981 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000647195747 915078369 /nfs/dbraw/zinc/07/83/69/915078369.db2.gz BSGOQGSPBCYNOU-PZJWPPBQSA-N 2 1 375.520 3.658 20 0 GHADMP c1cc(C[NH+]2CC[C@H]3OCCC[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000155469997 915225679 /nfs/dbraw/zinc/22/56/79/915225679.db2.gz FVJXWCVRMABRCE-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000155469997 915225686 /nfs/dbraw/zinc/22/56/86/915225686.db2.gz FVJXWCVRMABRCE-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000155469997 915225694 /nfs/dbraw/zinc/22/56/94/915225694.db2.gz FVJXWCVRMABRCE-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000647890715 915427767 /nfs/dbraw/zinc/42/77/67/915427767.db2.gz IWFFVRPRNIXTBL-UFYCRDLUSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000647890715 915427777 /nfs/dbraw/zinc/42/77/77/915427777.db2.gz IWFFVRPRNIXTBL-UFYCRDLUSA-N 2 1 389.337 3.517 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963906 915455883 /nfs/dbraw/zinc/45/58/83/915455883.db2.gz HHQPIOOVBUYLBS-NJYVYQBISA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963906 915455887 /nfs/dbraw/zinc/45/58/87/915455887.db2.gz HHQPIOOVBUYLBS-NJYVYQBISA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963906 915455894 /nfs/dbraw/zinc/45/58/94/915455894.db2.gz HHQPIOOVBUYLBS-NJYVYQBISA-N 2 1 377.617 3.858 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977414 915459495 /nfs/dbraw/zinc/45/94/95/915459495.db2.gz AZRISLOYYWIWQF-KBPBESRZSA-N 2 1 378.879 3.741 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)no1 ZINC000647977414 915459501 /nfs/dbraw/zinc/45/95/01/915459501.db2.gz AZRISLOYYWIWQF-KBPBESRZSA-N 2 1 378.879 3.741 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977808 915459781 /nfs/dbraw/zinc/45/97/81/915459781.db2.gz HWJOXEKZFQDJKL-RLLQIKCJSA-N 2 1 383.536 3.664 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(OCc3cccc(F)c3)cc1)CCO2 ZINC000648071762 915507485 /nfs/dbraw/zinc/50/74/85/915507485.db2.gz SIPWBFHDDDURNF-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(OCc3cccc(F)c3)cc1)CCO2 ZINC000648071762 915507497 /nfs/dbraw/zinc/50/74/97/915507497.db2.gz SIPWBFHDDDURNF-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cn(Cc3ccccc3)nc1C(C)(C)C)CCO2 ZINC000648072016 915508755 /nfs/dbraw/zinc/50/87/55/915508755.db2.gz HDPCKXKJWGWLPI-UHFFFAOYSA-N 2 1 396.579 3.526 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cn(Cc3ccccc3)nc1C(C)(C)C)CCO2 ZINC000648072016 915508764 /nfs/dbraw/zinc/50/87/64/915508764.db2.gz HDPCKXKJWGWLPI-UHFFFAOYSA-N 2 1 396.579 3.526 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCC2 ZINC000543777534 915789949 /nfs/dbraw/zinc/78/99/49/915789949.db2.gz XRIAQKUPYBSKRI-XUZZJYLKSA-N 2 1 380.532 3.819 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c2cccs2)CC1 ZINC000543777939 915972013 /nfs/dbraw/zinc/97/20/13/915972013.db2.gz YOXLCFUCALBWIB-MOPGFXCFSA-N 2 1 389.540 3.679 20 0 GHADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000293505065 916234880 /nfs/dbraw/zinc/23/48/80/916234880.db2.gz AEUDJFJSKWTIGX-LJQANCHMSA-N 2 1 398.547 3.603 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000294682972 916931839 /nfs/dbraw/zinc/93/18/39/916931839.db2.gz SQOLTGOHSOJPMJ-WCIYBSDLSA-N 2 1 387.543 3.730 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000294682972 916931843 /nfs/dbraw/zinc/93/18/43/916931843.db2.gz SQOLTGOHSOJPMJ-WCIYBSDLSA-N 2 1 387.543 3.730 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C)c(SC)c3)CC2)CC1 ZINC000650531295 917065074 /nfs/dbraw/zinc/06/50/74/917065074.db2.gz GHIVVYBQVLJENG-UHFFFAOYSA-N 2 1 390.597 3.741 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Br)C2)C1 ZINC000650708465 917243197 /nfs/dbraw/zinc/24/31/97/917243197.db2.gz ZYSVWUPCGXINFQ-FRFSOERESA-N 2 1 387.749 3.821 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OCCC(C)C ZINC000650706048 917244116 /nfs/dbraw/zinc/24/41/16/917244116.db2.gz CMXYJZLGNMHZFK-ONTIZHBOSA-N 2 1 390.568 3.838 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1cccc(Br)c1 ZINC000650707591 917244187 /nfs/dbraw/zinc/24/41/87/917244187.db2.gz JBXONQXCXFTTKV-TWKWOARYSA-N 2 1 381.358 3.771 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709220 917245723 /nfs/dbraw/zinc/24/57/23/917245723.db2.gz KIICBSWQBSXZJO-LPHOPBHVSA-N 2 1 389.341 3.504 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2Br)C1 ZINC000650723323 917249985 /nfs/dbraw/zinc/24/99/85/917249985.db2.gz LJFZNOKBIOIAIW-DJIMGWMZSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2Br)C1 ZINC000650723323 917249996 /nfs/dbraw/zinc/24/99/96/917249996.db2.gz LJFZNOKBIOIAIW-DJIMGWMZSA-N 2 1 387.749 3.963 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cs1 ZINC000775388229 917346919 /nfs/dbraw/zinc/34/69/19/917346919.db2.gz QDBBLUBIKICMDB-AOIWGVFYSA-N 2 1 397.679 3.887 20 0 GHADMP FC(F)(F)c1cccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000362759614 917401894 /nfs/dbraw/zinc/40/18/94/917401894.db2.gz PIRXRYXEOVXFHS-UXHICEINSA-N 2 1 381.486 3.886 20 0 GHADMP CCC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001190605527 917444222 /nfs/dbraw/zinc/44/42/22/917444222.db2.gz NWDXZTQMCNAVKV-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP CCC[NH+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001190605527 917444232 /nfs/dbraw/zinc/44/42/32/917444232.db2.gz NWDXZTQMCNAVKV-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP CCC[NH+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001190605527 917444241 /nfs/dbraw/zinc/44/42/41/917444241.db2.gz NWDXZTQMCNAVKV-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cs1 ZINC000295797421 917504709 /nfs/dbraw/zinc/50/47/09/917504709.db2.gz BYWNUYJRXKANRA-QGZVFWFLSA-N 2 1 387.549 3.568 20 0 GHADMP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716659105 917571999 /nfs/dbraw/zinc/57/19/99/917571999.db2.gz ZDCYNIMUGGPGEM-XHSDSOJGSA-N 2 1 378.385 3.801 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000652361963 917880945 /nfs/dbraw/zinc/88/09/45/917880945.db2.gz UTFAIJKPWCIMTK-BHIYHBOVSA-N 2 1 375.900 3.856 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000652364076 917882031 /nfs/dbraw/zinc/88/20/31/917882031.db2.gz WVEJQDSSHMUIPZ-SJBKTWHCSA-N 2 1 390.531 3.862 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000652610251 917950538 /nfs/dbraw/zinc/95/05/38/917950538.db2.gz QUDYFCZBZGLAHE-GBESFXJTSA-N 2 1 380.536 3.921 20 0 GHADMP C[C@@H]([N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1(C)CC1 ZINC001191464501 918030308 /nfs/dbraw/zinc/03/03/08/918030308.db2.gz LVOKNMKJVQQBIH-VQIMIIECSA-N 2 1 377.960 3.714 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653153641 918144209 /nfs/dbraw/zinc/14/42/09/918144209.db2.gz VRBWLTWTWZQGMB-JVPBZIDWSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653153641 918144219 /nfs/dbraw/zinc/14/42/19/918144219.db2.gz VRBWLTWTWZQGMB-JVPBZIDWSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000800254693 919789841 /nfs/dbraw/zinc/78/98/41/919789841.db2.gz ZRQGHKZETAFWFB-OAHLLOKOSA-N 2 1 382.574 3.948 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000800254693 919789858 /nfs/dbraw/zinc/78/98/58/919789858.db2.gz ZRQGHKZETAFWFB-OAHLLOKOSA-N 2 1 382.574 3.948 20 0 GHADMP C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000364765593 919966369 /nfs/dbraw/zinc/96/63/69/919966369.db2.gz XVLJHBAQMMFHKC-FDDCHVKYSA-N 2 1 378.520 3.801 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)ccc1Cl ZINC000902393082 922155672 /nfs/dbraw/zinc/15/56/72/922155672.db2.gz OUXVWPQCPYESEP-KRWDZBQOSA-N 2 1 397.853 3.760 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000367597451 922221121 /nfs/dbraw/zinc/22/11/21/922221121.db2.gz RUIOCPPCWYXDPR-ZXNZYJFHSA-N 2 1 396.535 3.667 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368531537 922733435 /nfs/dbraw/zinc/73/34/35/922733435.db2.gz VPZUGEOLHSDEHU-IEZKXTBUSA-N 2 1 392.591 3.794 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903147509 922808140 /nfs/dbraw/zinc/80/81/40/922808140.db2.gz JXKWIMBYHPPDKW-JLYLLQBASA-N 2 1 377.573 3.771 20 0 GHADMP CC(=O)OCc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000903147516 922808601 /nfs/dbraw/zinc/80/86/01/922808601.db2.gz JZASHIFMAGKIEQ-MHECFPHRSA-N 2 1 396.531 3.557 20 0 GHADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755541 923258160 /nfs/dbraw/zinc/25/81/60/923258160.db2.gz IVUUDMUKVBLDKF-KGLIPLIRSA-N 2 1 389.487 3.500 20 0 GHADMP Cc1cccc2nc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cn21 ZINC001137299831 924383560 /nfs/dbraw/zinc/38/35/60/924383560.db2.gz RZHCXAUEYCDXSH-UHFFFAOYSA-N 2 1 375.520 3.526 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000678339204 924732900 /nfs/dbraw/zinc/73/29/00/924732900.db2.gz JPBDHXYHTXLFGO-FYYLOGMGSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000678339204 924732908 /nfs/dbraw/zinc/73/29/08/924732908.db2.gz JPBDHXYHTXLFGO-FYYLOGMGSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000678339204 924732914 /nfs/dbraw/zinc/73/29/14/924732914.db2.gz JPBDHXYHTXLFGO-FYYLOGMGSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000678339204 924732920 /nfs/dbraw/zinc/73/29/20/924732920.db2.gz JPBDHXYHTXLFGO-FYYLOGMGSA-N 2 1 387.531 3.754 20 0 GHADMP Clc1ccccc1Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000678343635 924734459 /nfs/dbraw/zinc/73/44/59/924734459.db2.gz VVOHWJURLFGFGW-PMACEKPBSA-N 2 1 392.934 3.903 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000678343791 924735869 /nfs/dbraw/zinc/73/58/69/924735869.db2.gz NKKIBHGFBHIOEY-HXUWFJFHSA-N 2 1 395.551 3.536 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000678343791 924735875 /nfs/dbraw/zinc/73/58/75/924735875.db2.gz NKKIBHGFBHIOEY-HXUWFJFHSA-N 2 1 395.551 3.536 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000678343791 924735880 /nfs/dbraw/zinc/73/58/80/924735880.db2.gz NKKIBHGFBHIOEY-HXUWFJFHSA-N 2 1 395.551 3.536 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000678542053 924817841 /nfs/dbraw/zinc/81/78/41/924817841.db2.gz MNMZAOMQEQGMMA-WIYYLYMNSA-N 2 1 377.536 3.909 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000678605150 924837071 /nfs/dbraw/zinc/83/70/71/924837071.db2.gz HLTDQXHFELLOHQ-ZJOUEHCJSA-N 2 1 390.535 3.614 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3n[nH]c4ccccc43)C[C@@H]21 ZINC001137348553 924903806 /nfs/dbraw/zinc/90/38/06/924903806.db2.gz BQQTWDLUWINHII-DHJUGAMNSA-N 2 1 375.520 3.690 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)Nc2nc3c(s2)C[NH+](CC)CC3)cc1)C1CC1 ZINC000409749344 924957183 /nfs/dbraw/zinc/95/71/83/924957183.db2.gz RALCBKQLHUBUPR-UHFFFAOYSA-N 2 1 384.549 3.758 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2nc3c(s2)C[NH+](CC)CC3)cc1)C1CC1 ZINC000409749344 924957187 /nfs/dbraw/zinc/95/71/87/924957187.db2.gz RALCBKQLHUBUPR-UHFFFAOYSA-N 2 1 384.549 3.758 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1)C1CC1 ZINC000409749344 924957190 /nfs/dbraw/zinc/95/71/90/924957190.db2.gz RALCBKQLHUBUPR-UHFFFAOYSA-N 2 1 384.549 3.758 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1)C1CC1 ZINC000409749344 924957194 /nfs/dbraw/zinc/95/71/94/924957194.db2.gz RALCBKQLHUBUPR-UHFFFAOYSA-N 2 1 384.549 3.758 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(N2CCCC2)n1 ZINC000679724526 925248138 /nfs/dbraw/zinc/24/81/38/925248138.db2.gz ZBFXPSKGGMWPQK-WMZHIEFXSA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(N2CCCC2)n1 ZINC000679724526 925248144 /nfs/dbraw/zinc/24/81/44/925248144.db2.gz ZBFXPSKGGMWPQK-WMZHIEFXSA-N 2 1 378.564 3.990 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc4ccccc4s3)CC2)C[C@@H](C)O1 ZINC000680378678 925460981 /nfs/dbraw/zinc/46/09/81/925460981.db2.gz FJZGENIXYKINRL-QZTJIDSGSA-N 2 1 388.577 3.992 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410335997 925541356 /nfs/dbraw/zinc/54/13/56/925541356.db2.gz BNEXDMFNWLHKFC-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410335997 925541364 /nfs/dbraw/zinc/54/13/64/925541364.db2.gz BNEXDMFNWLHKFC-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410335997 925541371 /nfs/dbraw/zinc/54/13/71/925541371.db2.gz BNEXDMFNWLHKFC-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000410350841 925563933 /nfs/dbraw/zinc/56/39/33/925563933.db2.gz UWSOOJHRCPZJKE-HXUWFJFHSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+](CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000410365283 925576803 /nfs/dbraw/zinc/57/68/03/925576803.db2.gz DFINHFZNGNNMKZ-FQEVSTJZSA-N 2 1 388.600 3.837 20 0 GHADMP NC(=O)c1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C2CC2)cc1 ZINC000411141545 926115167 /nfs/dbraw/zinc/11/51/67/926115167.db2.gz FHDFDGYKVDVNOY-UHFFFAOYSA-N 2 1 377.532 3.936 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000397989663 926484640 /nfs/dbraw/zinc/48/46/40/926484640.db2.gz PSKKLJNIROQPLZ-NQSCKRDGSA-N 2 1 388.939 3.580 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000398222357 926486934 /nfs/dbraw/zinc/48/69/34/926486934.db2.gz WNNMTJVJBSEQEK-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP Cc1csc2ncnc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c12 ZINC000413181416 928295538 /nfs/dbraw/zinc/29/55/38/928295538.db2.gz QNDNBPQIDCYXTH-UHFFFAOYSA-N 2 1 387.597 3.632 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000543932010 928580344 /nfs/dbraw/zinc/58/03/44/928580344.db2.gz PBOSSHNRYMGMEW-QFIPXVFZSA-N 2 1 386.584 3.717 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000543932010 928580350 /nfs/dbraw/zinc/58/03/50/928580350.db2.gz PBOSSHNRYMGMEW-QFIPXVFZSA-N 2 1 386.584 3.717 20 0 GHADMP CN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000544076958 928772939 /nfs/dbraw/zinc/77/29/39/928772939.db2.gz ILDVQBXMKBNSKI-QHCPKHFHSA-N 2 1 377.532 3.627 20 0 GHADMP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H]1CC[NH+](C2CC2)C1 ZINC000544076958 928772942 /nfs/dbraw/zinc/77/29/42/928772942.db2.gz ILDVQBXMKBNSKI-QHCPKHFHSA-N 2 1 377.532 3.627 20 0 GHADMP CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1CC[NH+](C2CC2)C1 ZINC000544076958 928772950 /nfs/dbraw/zinc/77/29/50/928772950.db2.gz ILDVQBXMKBNSKI-QHCPKHFHSA-N 2 1 377.532 3.627 20 0 GHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000467347691 928982069 /nfs/dbraw/zinc/98/20/69/928982069.db2.gz BOGPDLPKVPELMX-HRAATJIYSA-N 2 1 392.465 3.993 20 0 GHADMP C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000467412053 929046013 /nfs/dbraw/zinc/04/60/13/929046013.db2.gz GKTPFPUXRZWVDY-IFXJQAMLSA-N 2 1 380.891 3.804 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC[N@@H+]1C ZINC000467419212 929051743 /nfs/dbraw/zinc/05/17/43/929051743.db2.gz PPYYIXRHWFLCFC-NIKGAXFTSA-N 2 1 381.358 3.989 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC[N@H+]1C ZINC000467419212 929051753 /nfs/dbraw/zinc/05/17/53/929051753.db2.gz PPYYIXRHWFLCFC-NIKGAXFTSA-N 2 1 381.358 3.989 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000467518985 929151281 /nfs/dbraw/zinc/15/12/81/929151281.db2.gz GRVVPEDOQZOTMK-UHFFFAOYSA-N 2 1 377.273 3.968 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000467518985 929151285 /nfs/dbraw/zinc/15/12/85/929151285.db2.gz GRVVPEDOQZOTMK-UHFFFAOYSA-N 2 1 377.273 3.968 20 0 GHADMP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000467689361 929305035 /nfs/dbraw/zinc/30/50/35/929305035.db2.gz TWAGICHAQFHWII-CVDCTZTESA-N 2 1 377.532 3.675 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000753547764 929406273 /nfs/dbraw/zinc/40/62/73/929406273.db2.gz VRLSSJIQAQIKAP-OXQOHEQNSA-N 2 1 399.539 3.701 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000753585450 929429591 /nfs/dbraw/zinc/42/95/91/929429591.db2.gz GZVANCSYZQKEGF-YADARESESA-N 2 1 393.575 3.748 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000753585450 929429598 /nfs/dbraw/zinc/42/95/98/929429598.db2.gz GZVANCSYZQKEGF-YADARESESA-N 2 1 393.575 3.748 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000753585450 929429607 /nfs/dbraw/zinc/42/96/07/929429607.db2.gz GZVANCSYZQKEGF-YADARESESA-N 2 1 393.575 3.748 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000753643020 929458245 /nfs/dbraw/zinc/45/82/45/929458245.db2.gz HCLGAESGTFNGIO-SFHVURJKSA-N 2 1 388.552 3.934 20 0 GHADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000469305728 929777879 /nfs/dbraw/zinc/77/78/79/929777879.db2.gz TWJIELPIPXJVJS-OTWHNJEPSA-N 2 1 389.584 3.679 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1CCCCCC1 ZINC000469531985 929971385 /nfs/dbraw/zinc/97/13/85/929971385.db2.gz YFNZNKDFYWMGTR-LPHOPBHVSA-N 2 1 397.485 3.660 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469761510 930143175 /nfs/dbraw/zinc/14/31/75/930143175.db2.gz BELQTWOGGOUUOU-QDMVCWPOSA-N 2 1 393.575 3.952 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469761510 930143178 /nfs/dbraw/zinc/14/31/78/930143178.db2.gz BELQTWOGGOUUOU-QDMVCWPOSA-N 2 1 393.575 3.952 20 0 GHADMP C[NH2+]CCC1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000469848947 930203062 /nfs/dbraw/zinc/20/30/62/930203062.db2.gz AWEVWAGAZYGGEI-UHFFFAOYSA-N 2 1 377.273 3.872 20 0 GHADMP CC[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000546759022 930408231 /nfs/dbraw/zinc/40/82/31/930408231.db2.gz YLVFZBYNPLQHDT-NRFANRHFSA-N 2 1 386.584 3.555 20 0 GHADMP C[NH+](C)CC1(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCC1 ZINC000546842385 930478633 /nfs/dbraw/zinc/47/86/33/930478633.db2.gz DSEFMBHCQMKSMM-IBGZPJMESA-N 2 1 386.584 3.731 20 0 GHADMP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000547018810 930617638 /nfs/dbraw/zinc/61/76/38/930617638.db2.gz XBRNZWJVTVFXQM-GOSISDBHSA-N 2 1 386.511 3.635 20 0 GHADMP C[N@H+](CCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CCCCC1 ZINC000547430026 931011008 /nfs/dbraw/zinc/01/10/08/931011008.db2.gz DOSHVPOAWDPRDP-UHFFFAOYSA-N 2 1 393.522 3.700 20 0 GHADMP C[N@@H+](CCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CCCCC1 ZINC000547430026 931011016 /nfs/dbraw/zinc/01/10/16/931011016.db2.gz DOSHVPOAWDPRDP-UHFFFAOYSA-N 2 1 393.522 3.700 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000557384077 931391948 /nfs/dbraw/zinc/39/19/48/931391948.db2.gz OQXACRKNPQMYFQ-QFIPXVFZSA-N 2 1 375.532 3.589 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)cc1OC ZINC000924711852 931511763 /nfs/dbraw/zinc/51/17/63/931511763.db2.gz VLULNLXZUJANBK-GOSISDBHSA-N 2 1 387.524 3.879 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000557669711 931603228 /nfs/dbraw/zinc/60/32/28/931603228.db2.gz LCKFMDIUXONRHR-HSZRJFAPSA-N 2 1 399.623 3.814 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1OC ZINC000557844038 931718138 /nfs/dbraw/zinc/71/81/38/931718138.db2.gz KMIFWLGXPSVGRK-XLIONFOSSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1OC ZINC000557844038 931718140 /nfs/dbraw/zinc/71/81/40/931718140.db2.gz KMIFWLGXPSVGRK-XLIONFOSSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000784318858 931853753 /nfs/dbraw/zinc/85/37/53/931853753.db2.gz ANPRFRMSNCNCBX-QPTUXGOLSA-N 2 1 380.532 3.683 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000784318858 931853758 /nfs/dbraw/zinc/85/37/58/931853758.db2.gz ANPRFRMSNCNCBX-QPTUXGOLSA-N 2 1 380.532 3.683 20 0 GHADMP CCc1ccc([C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2cccnc2)cc1 ZINC000925655060 931865887 /nfs/dbraw/zinc/86/58/87/931865887.db2.gz UHDVBCXBNGYZKG-XMMPIXPASA-N 2 1 390.531 3.859 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000558167122 931868664 /nfs/dbraw/zinc/86/86/64/931868664.db2.gz XTFAZYNNVQHVEO-UHFFFAOYSA-N 2 1 376.541 3.813 20 0 GHADMP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000925885774 931936133 /nfs/dbraw/zinc/93/61/33/931936133.db2.gz AATORJQVBYIUBV-UDNBIFARSA-N 3 1 375.560 3.831 20 0 GHADMP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000925885774 931936137 /nfs/dbraw/zinc/93/61/37/931936137.db2.gz AATORJQVBYIUBV-UDNBIFARSA-N 2 1 375.560 3.831 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2)n(C)n1 ZINC000558409426 931986385 /nfs/dbraw/zinc/98/63/85/931986385.db2.gz PERYIVWUAQBJEY-XLIONFOSSA-N 2 1 378.524 3.542 20 0 GHADMP Cc1cnccc1OC1CC[NH+]([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000558476916 932025010 /nfs/dbraw/zinc/02/50/10/932025010.db2.gz ZYXKAHOMAUFUAQ-OAQYLSRUSA-N 2 1 397.494 3.876 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796741381 932049318 /nfs/dbraw/zinc/04/93/18/932049318.db2.gz COVUZACYEWZWMW-SJORKVTESA-N 2 1 376.545 3.622 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796741381 932049321 /nfs/dbraw/zinc/04/93/21/932049321.db2.gz COVUZACYEWZWMW-SJORKVTESA-N 2 1 376.545 3.622 20 0 GHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000796747337 932052516 /nfs/dbraw/zinc/05/25/16/932052516.db2.gz SENGOIWREUZOGA-UAFMIMERSA-N 2 1 397.604 3.549 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000796747337 932052520 /nfs/dbraw/zinc/05/25/20/932052520.db2.gz SENGOIWREUZOGA-UAFMIMERSA-N 2 1 397.604 3.549 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)[C@@H]2C1 ZINC000926437280 932181510 /nfs/dbraw/zinc/18/15/10/932181510.db2.gz UMALYFRFXJNKCZ-HUHFOSNCSA-N 2 1 395.591 3.809 20 0 GHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2nc3c(s2)COCC3)ccc1OC ZINC000927118307 932420037 /nfs/dbraw/zinc/42/00/37/932420037.db2.gz CLGULCZMBTXQPD-OAHLLOKOSA-N 2 1 389.565 3.917 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000559268284 932566863 /nfs/dbraw/zinc/56/68/63/932566863.db2.gz ZAQGDJQBLVONGC-UXHICEINSA-N 2 1 380.573 3.513 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000798271287 932585729 /nfs/dbraw/zinc/58/57/29/932585729.db2.gz FRBYGNSKOYUIHX-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000798271287 932585740 /nfs/dbraw/zinc/58/57/40/932585740.db2.gz FRBYGNSKOYUIHX-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000559751746 932838287 /nfs/dbraw/zinc/83/82/87/932838287.db2.gz AZDATFGZANMFQP-GHTZIAJQSA-N 2 1 384.520 3.680 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000559751746 932838290 /nfs/dbraw/zinc/83/82/90/932838290.db2.gz AZDATFGZANMFQP-GHTZIAJQSA-N 2 1 384.520 3.680 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@H]1c1ccccc1 ZINC000559766344 932843723 /nfs/dbraw/zinc/84/37/23/932843723.db2.gz CRXQLJSJDPCYHQ-GGAORHGYSA-N 2 1 378.495 3.979 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@H]1c1ccccc1 ZINC000559766344 932843728 /nfs/dbraw/zinc/84/37/28/932843728.db2.gz CRXQLJSJDPCYHQ-GGAORHGYSA-N 2 1 378.495 3.979 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](c3ccc(Cl)cc3)C3CCOCC3)C2)CC1 ZINC000559774222 932846165 /nfs/dbraw/zinc/84/61/65/932846165.db2.gz NVEPAIRLQSVVRL-YADHBBJMSA-N 2 1 391.987 3.520 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559784491 932853520 /nfs/dbraw/zinc/85/35/20/932853520.db2.gz IKWLOSZHQATNPI-AUSIDOKSSA-N 2 1 384.520 3.898 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559784491 932853524 /nfs/dbraw/zinc/85/35/24/932853524.db2.gz IKWLOSZHQATNPI-AUSIDOKSSA-N 2 1 384.520 3.898 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccccc1 ZINC000559849957 932910335 /nfs/dbraw/zinc/91/03/35/932910335.db2.gz XIFWWECGHRBEEW-PKTZIBPZSA-N 2 1 377.532 3.848 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1cccc2ccccc21 ZINC000560281354 933182591 /nfs/dbraw/zinc/18/25/91/933182591.db2.gz SRJFOMWEQQRRCN-QHCPKHFHSA-N 2 1 390.527 3.834 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)cc1 ZINC001116075805 933321190 /nfs/dbraw/zinc/32/11/90/933321190.db2.gz UQRLJJPKHAKIPA-OAQYLSRUSA-N 2 1 388.600 3.579 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326152 /nfs/dbraw/zinc/32/61/52/933326152.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326161 /nfs/dbraw/zinc/32/61/61/933326161.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326170 /nfs/dbraw/zinc/32/61/70/933326170.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326182 /nfs/dbraw/zinc/32/61/82/933326182.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326196 /nfs/dbraw/zinc/32/61/96/933326196.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326207 /nfs/dbraw/zinc/32/62/07/933326207.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326215 /nfs/dbraw/zinc/32/62/15/933326215.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 3 1 399.623 3.768 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3coc(C(C)(C)C)n3)CC2)CC1 ZINC000929810570 933644239 /nfs/dbraw/zinc/64/42/39/933644239.db2.gz SUWMFNCCPYETJU-UHFFFAOYSA-N 2 1 376.589 3.600 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3coc(C(C)(C)C)n3)CC2)CC1 ZINC000929810570 933644243 /nfs/dbraw/zinc/64/42/43/933644243.db2.gz SUWMFNCCPYETJU-UHFFFAOYSA-N 2 1 376.589 3.600 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561060505 933827951 /nfs/dbraw/zinc/82/79/51/933827951.db2.gz LVMIOJGWVVOPON-PMACEKPBSA-N 2 1 383.561 3.523 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[NH+](Cc4noc5c4COCC5)CC3)CC2)cc1 ZINC000930868352 934279424 /nfs/dbraw/zinc/27/94/24/934279424.db2.gz QPHRSISHOXFEFG-UHFFFAOYSA-N 2 1 381.520 3.626 20 0 GHADMP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)OCCc2ccccc21 ZINC000562092163 934691246 /nfs/dbraw/zinc/69/12/46/934691246.db2.gz SAHWEQUCCZRUEZ-PBXXJUDPSA-N 2 1 394.559 3.744 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC001122249062 934849507 /nfs/dbraw/zinc/84/95/07/934849507.db2.gz VEXHGIYUFZCUIH-LTCLLZNKSA-N 2 1 383.458 3.619 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001220704154 1032073010 /nfs/dbraw/zinc/07/30/10/1032073010.db2.gz IKRXXZYCBJGUPL-IRLDBZIGSA-N 2 1 386.584 3.523 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCCCC[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001220704154 1032073024 /nfs/dbraw/zinc/07/30/24/1032073024.db2.gz IKRXXZYCBJGUPL-IRLDBZIGSA-N 2 1 386.584 3.523 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCCCC[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001220704154 1032073041 /nfs/dbraw/zinc/07/30/41/1032073041.db2.gz IKRXXZYCBJGUPL-IRLDBZIGSA-N 2 1 386.584 3.523 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468025228 1015159888 /nfs/dbraw/zinc/15/98/88/1015159888.db2.gz GMFPFXZZAHNFRQ-NPDDRXJXSA-N 2 1 388.600 3.734 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)c1cccc(C(F)(F)F)c1 ZINC000468303019 1015565212 /nfs/dbraw/zinc/56/52/12/1015565212.db2.gz NWSNNAKCBUEMRD-ROUUACIJSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)c1cccc(C(F)(F)F)c1 ZINC000468303019 1015565223 /nfs/dbraw/zinc/56/52/23/1015565223.db2.gz NWSNNAKCBUEMRD-ROUUACIJSA-N 2 1 385.474 3.689 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@@H](C)CN(Cc4ccccc4)C3)CCCC2)CC1 ZINC000468553631 1015799987 /nfs/dbraw/zinc/79/99/87/1015799987.db2.gz KUJJCGZSHOOISU-FYYLOGMGSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468838113 1016092264 /nfs/dbraw/zinc/09/22/64/1016092264.db2.gz DKPXZWZEXKCIMC-IRMYBRCSSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000468838113 1016092269 /nfs/dbraw/zinc/09/22/69/1016092269.db2.gz DKPXZWZEXKCIMC-IRMYBRCSSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000468838113 1016092274 /nfs/dbraw/zinc/09/22/74/1016092274.db2.gz DKPXZWZEXKCIMC-IRMYBRCSSA-N 2 1 383.580 3.905 20 0 GHADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468864127 1016131338 /nfs/dbraw/zinc/13/13/38/1016131338.db2.gz HIKZDGDRQVMQNR-MRXNPFEDSA-N 2 1 391.466 3.589 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468864127 1016131342 /nfs/dbraw/zinc/13/13/42/1016131342.db2.gz HIKZDGDRQVMQNR-MRXNPFEDSA-N 2 1 391.466 3.589 20 0 GHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cccc21 ZINC000468876106 1016151998 /nfs/dbraw/zinc/15/19/98/1016151998.db2.gz GBJVPMUOMRODIT-SFTDATJTSA-N 2 1 379.504 3.675 20 0 GHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cccc21 ZINC000468876106 1016152005 /nfs/dbraw/zinc/15/20/05/1016152005.db2.gz GBJVPMUOMRODIT-SFTDATJTSA-N 2 1 379.504 3.675 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000469025740 1016350378 /nfs/dbraw/zinc/35/03/78/1016350378.db2.gz QHSVUCVZDPDBLU-UHFFFAOYSA-N 2 1 399.445 3.587 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000469025740 1016350390 /nfs/dbraw/zinc/35/03/90/1016350390.db2.gz QHSVUCVZDPDBLU-UHFFFAOYSA-N 2 1 399.445 3.587 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000470601659 1016829516 /nfs/dbraw/zinc/82/95/16/1016829516.db2.gz QIKWNAUWUNSVHQ-OALUTQOASA-N 2 1 393.453 3.727 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471023363 1016943804 /nfs/dbraw/zinc/94/38/04/1016943804.db2.gz UFNOBFVFPJAQFC-BGYRXZFFSA-N 2 1 381.495 3.527 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471023363 1016943809 /nfs/dbraw/zinc/94/38/09/1016943809.db2.gz UFNOBFVFPJAQFC-BGYRXZFFSA-N 2 1 381.495 3.527 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471023363 1016943815 /nfs/dbraw/zinc/94/38/15/1016943815.db2.gz UFNOBFVFPJAQFC-BGYRXZFFSA-N 2 1 381.495 3.527 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC001220883229 1032172996 /nfs/dbraw/zinc/17/29/96/1032172996.db2.gz KLJFSWCXGYPOTK-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001220883229 1032173006 /nfs/dbraw/zinc/17/30/06/1032173006.db2.gz KLJFSWCXGYPOTK-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001220883229 1032173020 /nfs/dbraw/zinc/17/30/20/1032173020.db2.gz KLJFSWCXGYPOTK-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC001220883023 1032173555 /nfs/dbraw/zinc/17/35/55/1032173555.db2.gz GHOPOEPBOBTYOT-XXBNENTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001220883023 1032173567 /nfs/dbraw/zinc/17/35/67/1032173567.db2.gz GHOPOEPBOBTYOT-XXBNENTESA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001220883023 1032173583 /nfs/dbraw/zinc/17/35/83/1032173583.db2.gz GHOPOEPBOBTYOT-XXBNENTESA-N 2 1 398.595 3.735 20 0 GHADMP CC(C)(C)c1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155357907 1032516340 /nfs/dbraw/zinc/51/63/40/1032516340.db2.gz KKWHNNJXERSCDL-FQEVSTJZSA-N 2 1 393.579 3.688 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3nncc4ccccc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001155358084 1032516942 /nfs/dbraw/zinc/51/69/42/1032516942.db2.gz OGGGUVUAGRBHGJ-NRFANRHFSA-N 2 1 387.531 3.544 20 0 GHADMP c1cc2ncnc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2s1 ZINC001155358620 1032517068 /nfs/dbraw/zinc/51/70/68/1032517068.db2.gz UIQLRORFYJLLOD-SFHVURJKSA-N 2 1 393.560 3.605 20 0 GHADMP CSCc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001155363687 1032520338 /nfs/dbraw/zinc/52/03/38/1032520338.db2.gz ZQHUOQOBMKHNPG-OAQYLSRUSA-N 2 1 396.604 3.858 20 0 GHADMP Cc1cc2[nH]ccc2c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH+]1 ZINC001155364560 1032520933 /nfs/dbraw/zinc/52/09/33/1032520933.db2.gz UJMSTMBJZXYBRC-FQEVSTJZSA-N 3 1 389.547 3.785 20 0 GHADMP CC(C)c1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155364994 1032521109 /nfs/dbraw/zinc/52/11/09/1032521109.db2.gz YAVDCBMUKBVQON-HXUWFJFHSA-N 2 1 379.552 3.514 20 0 GHADMP COCCn1ccc2c1nc[nH+]c2N[C@H]1CC2(CC[NH2+]CC2)c2ccc(C)cc21 ZINC001155435995 1032541693 /nfs/dbraw/zinc/54/16/93/1032541693.db2.gz BDBKWPSMRBWNLZ-FQEVSTJZSA-N 2 1 391.519 3.564 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC1)CC(C)C ZINC001221852790 1032552741 /nfs/dbraw/zinc/55/27/41/1032552741.db2.gz NYAQYKWJJPWGAE-UHFFFAOYSA-N 2 1 380.621 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1)CC(C)C ZINC001221852790 1032552743 /nfs/dbraw/zinc/55/27/43/1032552743.db2.gz NYAQYKWJJPWGAE-UHFFFAOYSA-N 2 1 380.621 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1)CC(C)C ZINC001221852790 1032552749 /nfs/dbraw/zinc/55/27/49/1032552749.db2.gz NYAQYKWJJPWGAE-UHFFFAOYSA-N 2 1 380.621 3.650 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC001227862743 1032652575 /nfs/dbraw/zinc/65/25/75/1032652575.db2.gz IIYKZLCCBUUJLU-HXUWFJFHSA-N 2 1 398.595 3.544 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048993 1017347441 /nfs/dbraw/zinc/34/74/41/1017347441.db2.gz AYJCALXZKRZYFS-XMSQKQJNSA-N 2 1 389.559 3.932 20 0 GHADMP CC(C)[C@@H]1N(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC12CCCCCC2 ZINC001228041559 1032749227 /nfs/dbraw/zinc/74/92/27/1032749227.db2.gz AFVSAEGHSKGGGX-CTNGQTDRSA-N 2 1 390.616 3.545 20 0 GHADMP CC(C)[C@@H]1N(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041559 1032749235 /nfs/dbraw/zinc/74/92/35/1032749235.db2.gz AFVSAEGHSKGGGX-CTNGQTDRSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159687 1019169982 /nfs/dbraw/zinc/16/99/82/1019169982.db2.gz ACSMWLDTUAIZON-IRLDBZIGSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159687 1019169984 /nfs/dbraw/zinc/16/99/84/1019169984.db2.gz ACSMWLDTUAIZON-IRLDBZIGSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159687 1019169991 /nfs/dbraw/zinc/16/99/91/1019169991.db2.gz ACSMWLDTUAIZON-IRLDBZIGSA-N 2 1 399.604 3.716 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CN(c4ccccc4)CCO3)C2)s1 ZINC000565159687 1019169995 /nfs/dbraw/zinc/16/99/95/1019169995.db2.gz ACSMWLDTUAIZON-IRLDBZIGSA-N 2 1 399.604 3.716 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000565244647 1019171582 /nfs/dbraw/zinc/17/15/82/1019171582.db2.gz GVVKBPRYERCTBE-QFIPXVFZSA-N 2 1 380.536 3.577 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581030 1019238198 /nfs/dbraw/zinc/23/81/98/1019238198.db2.gz HAWWDBVIFIYVHI-CEWLAPEOSA-N 2 1 383.536 3.737 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994361 1019365024 /nfs/dbraw/zinc/36/50/24/1019365024.db2.gz KPTBXYLZAWCQRG-QGZVFWFLSA-N 2 1 389.540 3.978 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994361 1019365039 /nfs/dbraw/zinc/36/50/39/1019365039.db2.gz KPTBXYLZAWCQRG-QGZVFWFLSA-N 2 1 389.540 3.978 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994361 1019365055 /nfs/dbraw/zinc/36/50/55/1019365055.db2.gz KPTBXYLZAWCQRG-QGZVFWFLSA-N 2 1 389.540 3.978 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(-n3ccnc3)c2)C1 ZINC000568433650 1019406430 /nfs/dbraw/zinc/40/64/30/1019406430.db2.gz UNPWWVPGEKFZIC-TZIWHRDSSA-N 2 1 395.551 3.668 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000572797083 1019801041 /nfs/dbraw/zinc/80/10/41/1019801041.db2.gz HBUCEUDYHZHJIK-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573306939 1019827497 /nfs/dbraw/zinc/82/74/97/1019827497.db2.gz ZEPRKGYYWDNAEY-DNVCBOLYSA-N 2 1 390.890 3.752 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000578102302 1020327700 /nfs/dbraw/zinc/32/77/00/1020327700.db2.gz CBWDPWPSZNXPRN-QERLCLQCSA-N 2 1 376.544 3.938 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628036701 1020651994 /nfs/dbraw/zinc/65/19/94/1020651994.db2.gz HGCVZWIKWITBEE-PKOBYXMFSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628036701 1020651999 /nfs/dbraw/zinc/65/19/99/1020651999.db2.gz HGCVZWIKWITBEE-PKOBYXMFSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628036701 1020652001 /nfs/dbraw/zinc/65/20/01/1020652001.db2.gz HGCVZWIKWITBEE-PKOBYXMFSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628036701 1020652005 /nfs/dbraw/zinc/65/20/05/1020652005.db2.gz HGCVZWIKWITBEE-PKOBYXMFSA-N 2 1 377.960 3.541 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cnn1-c1ccc(Cl)cc1Cl ZINC000629520820 1020755596 /nfs/dbraw/zinc/75/55/96/1020755596.db2.gz IVYVKERDUXNRJZ-GFCCVEGCSA-N 2 1 383.323 3.646 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000637921096 1021032383 /nfs/dbraw/zinc/03/23/83/1021032383.db2.gz ATSQNIJWOLYEPC-QFIPXVFZSA-N 2 1 395.522 3.873 20 0 GHADMP O=c1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cccn1C(F)F ZINC000639330181 1021069540 /nfs/dbraw/zinc/06/95/40/1021069540.db2.gz RJXLHLSWXCUSGZ-IBGZPJMESA-N 2 1 387.474 3.635 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834551605 1021267699 /nfs/dbraw/zinc/26/76/99/1021267699.db2.gz HEUZQDPQLKZQSS-PMACEKPBSA-N 2 1 384.524 3.922 20 0 GHADMP COc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001140480193 1021777518 /nfs/dbraw/zinc/77/75/18/1021777518.db2.gz ZFZHVPMPASGKCV-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP CN(C(=O)c1cc2ccsc2[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000677291117 1021814735 /nfs/dbraw/zinc/81/47/35/1021814735.db2.gz UJSDZXBYJKFGAC-RTBURBONSA-N 2 1 388.581 3.639 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC(CC[NH+]4CCCC[C@H]4C)CC3)C[N@H+]2C1 ZINC001137309285 1021877062 /nfs/dbraw/zinc/87/70/62/1021877062.db2.gz DUBBOKXFIOOEAV-CZAYHTPWSA-N 2 1 375.601 3.610 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)C[NH+]2C1 ZINC001137309285 1021877083 /nfs/dbraw/zinc/87/70/83/1021877083.db2.gz DUBBOKXFIOOEAV-CZAYHTPWSA-N 2 1 375.601 3.610 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)C[NH+]2C1 ZINC001137309285 1021877091 /nfs/dbraw/zinc/87/70/91/1021877091.db2.gz DUBBOKXFIOOEAV-CZAYHTPWSA-N 2 1 375.601 3.610 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2O[C@@H](C)C(=O)OC)CC1 ZINC001204651498 1033013791 /nfs/dbraw/zinc/01/37/91/1033013791.db2.gz OVSZIYQAUZYTHS-SFHVURJKSA-N 2 1 376.541 3.571 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001140653727 1022168746 /nfs/dbraw/zinc/16/87/46/1022168746.db2.gz AOAPODKAYRLZBU-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001140653727 1022168750 /nfs/dbraw/zinc/16/87/50/1022168750.db2.gz AOAPODKAYRLZBU-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001140653727 1022168752 /nfs/dbraw/zinc/16/87/52/1022168752.db2.gz AOAPODKAYRLZBU-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001140653727 1022168754 /nfs/dbraw/zinc/16/87/54/1022168754.db2.gz AOAPODKAYRLZBU-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)nc1F)CC2 ZINC001137472648 1022332686 /nfs/dbraw/zinc/33/26/86/1022332686.db2.gz IBWOQTHUXMQMHM-INIZCTEOSA-N 2 1 393.890 3.723 20 0 GHADMP C[NH+]1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3Br)C2)CC1 ZINC001140713107 1022341561 /nfs/dbraw/zinc/34/15/61/1022341561.db2.gz PLYYZIKOKDITCH-UHFFFAOYSA-N 2 1 377.248 3.996 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803612 1022573394 /nfs/dbraw/zinc/57/33/94/1022573394.db2.gz UCMGBTMPPSKSBB-QHCPKHFHSA-N 2 1 392.478 3.717 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@]12CCC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140803612 1022573402 /nfs/dbraw/zinc/57/34/02/1022573402.db2.gz UCMGBTMPPSKSBB-QHCPKHFHSA-N 2 1 392.478 3.717 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204749068 1033062587 /nfs/dbraw/zinc/06/25/87/1033062587.db2.gz WSTRNCIOKUZMSF-UHFFFAOYSA-N 2 1 384.305 3.565 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2c(N)cccc2F)CC3)c1 ZINC001140874504 1022763335 /nfs/dbraw/zinc/76/33/35/1022763335.db2.gz XZYJJYOUNZWORP-UHFFFAOYSA-N 2 1 383.511 3.905 20 0 GHADMP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001204896477 1033151443 /nfs/dbraw/zinc/15/14/43/1033151443.db2.gz JTDUOLYXPSPNEH-GOSISDBHSA-N 2 1 392.522 3.590 20 0 GHADMP C[N@H+]1CCCC[C@H]1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001141189737 1024054542 /nfs/dbraw/zinc/05/45/42/1024054542.db2.gz KLSQEVPMIDVMQF-VXKWHMMOSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCN2Cc2cccnc2)c1 ZINC000117798618 1024133426 /nfs/dbraw/zinc/13/34/26/1024133426.db2.gz STSWTOMDQNXCFH-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)c1 ZINC000117798618 1024133431 /nfs/dbraw/zinc/13/34/31/1024133431.db2.gz STSWTOMDQNXCFH-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)c1 ZINC000117798618 1024133436 /nfs/dbraw/zinc/13/34/36/1024133436.db2.gz STSWTOMDQNXCFH-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC000117798618 1024133440 /nfs/dbraw/zinc/13/34/40/1024133440.db2.gz STSWTOMDQNXCFH-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC000117798618 1024133449 /nfs/dbraw/zinc/13/34/49/1024133449.db2.gz STSWTOMDQNXCFH-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CN(C)c1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001141259191 1024319776 /nfs/dbraw/zinc/31/97/76/1024319776.db2.gz GIVKADUDDLZHTA-UHFFFAOYSA-N 2 1 385.577 3.681 20 0 GHADMP CN(C)c1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001141259191 1024319792 /nfs/dbraw/zinc/31/97/92/1024319792.db2.gz GIVKADUDDLZHTA-UHFFFAOYSA-N 2 1 385.577 3.681 20 0 GHADMP [NH3+]Cc1cccn1-c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001156730403 1033211094 /nfs/dbraw/zinc/21/10/94/1033211094.db2.gz KDPYOERJDXFMKD-UHFFFAOYSA-N 2 1 381.549 3.805 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001138297021 1024578286 /nfs/dbraw/zinc/57/82/86/1024578286.db2.gz LWYXCKYVCFCFHP-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138440425 1024855247 /nfs/dbraw/zinc/85/52/47/1024855247.db2.gz GWGBGQQCCYQYKG-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138440425 1024855258 /nfs/dbraw/zinc/85/52/58/1024855258.db2.gz GWGBGQQCCYQYKG-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138440425 1024855273 /nfs/dbraw/zinc/85/52/73/1024855273.db2.gz GWGBGQQCCYQYKG-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1OC ZINC001138440425 1024855288 /nfs/dbraw/zinc/85/52/88/1024855288.db2.gz GWGBGQQCCYQYKG-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)cc1 ZINC001138549858 1024997722 /nfs/dbraw/zinc/99/77/22/1024997722.db2.gz DVCBPYSCNADDQM-UHFFFAOYSA-N 2 1 380.536 3.795 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)cc1 ZINC001138549858 1024997731 /nfs/dbraw/zinc/99/77/31/1024997731.db2.gz DVCBPYSCNADDQM-UHFFFAOYSA-N 2 1 380.536 3.795 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)cc1 ZINC001138550371 1024998775 /nfs/dbraw/zinc/99/87/75/1024998775.db2.gz RDBVHDOPAOCVOH-LJQANCHMSA-N 2 1 392.478 3.714 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)cc1 ZINC001138550371 1024998777 /nfs/dbraw/zinc/99/87/77/1024998777.db2.gz RDBVHDOPAOCVOH-LJQANCHMSA-N 2 1 392.478 3.714 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(C(F)(F)F)nc1C)C2 ZINC001141426832 1025012084 /nfs/dbraw/zinc/01/20/84/1025012084.db2.gz RYTAYHUPPRVJMA-ICSRJNTNSA-N 2 1 397.485 3.589 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138578569 1025058271 /nfs/dbraw/zinc/05/82/71/1025058271.db2.gz HDCOYZJHDBTJNG-OAQYLSRUSA-N 2 1 396.579 3.963 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC001141454967 1025101571 /nfs/dbraw/zinc/10/15/71/1025101571.db2.gz XFQWNSXJLQGJJS-HSZRJFAPSA-N 2 1 389.559 3.747 20 0 GHADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138644100 1025153698 /nfs/dbraw/zinc/15/36/98/1025153698.db2.gz IYUWTQYGTWRFNZ-WWPVKYPJSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138644100 1025153703 /nfs/dbraw/zinc/15/37/03/1025153703.db2.gz IYUWTQYGTWRFNZ-WWPVKYPJSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138644100 1025153710 /nfs/dbraw/zinc/15/37/10/1025153710.db2.gz IYUWTQYGTWRFNZ-WWPVKYPJSA-N 2 1 381.568 3.647 20 0 GHADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138644100 1025153717 /nfs/dbraw/zinc/15/37/17/1025153717.db2.gz IYUWTQYGTWRFNZ-WWPVKYPJSA-N 2 1 381.568 3.647 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2cccc(C(F)(F)F)n2)cc1 ZINC001138769777 1025339379 /nfs/dbraw/zinc/33/93/79/1025339379.db2.gz HCUPYXOUOZXLRH-UHFFFAOYSA-N 2 1 381.442 3.715 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)cc1F ZINC000838911147 1025438226 /nfs/dbraw/zinc/43/82/26/1025438226.db2.gz KYPFRTAYYFYQJM-UHFFFAOYSA-N 2 1 388.487 3.714 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138882466 1025520109 /nfs/dbraw/zinc/52/01/09/1025520109.db2.gz BMRLHLXVNAUKOK-SFTDATJTSA-N 2 1 376.479 3.780 20 0 GHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1nnc2ccccn21 ZINC001162177769 1025649417 /nfs/dbraw/zinc/64/94/17/1025649417.db2.gz FHWXODUXGFDQGM-RDJZCZTQSA-N 2 1 375.480 3.567 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000839181030 1025691189 /nfs/dbraw/zinc/69/11/89/1025691189.db2.gz GJSZTORXNULMTD-INIZCTEOSA-N 2 1 378.923 3.854 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)s3)CC[C@@H]2C1 ZINC001139018443 1025776341 /nfs/dbraw/zinc/77/63/41/1025776341.db2.gz KTCXICXUDHYEIC-SJLPKXTDSA-N 2 1 392.590 3.646 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001461044934 1069356665 /nfs/dbraw/zinc/35/66/65/1069356665.db2.gz MTYGGSCIUGRRSC-OUUBHVDSSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC001461044934 1069356684 /nfs/dbraw/zinc/35/66/84/1069356684.db2.gz MTYGGSCIUGRRSC-OUUBHVDSSA-N 2 1 379.589 3.732 20 0 GHADMP COCC[N@@H+](C)[C@@H](CNc1cc(-n2ccnc2)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385437 1026170627 /nfs/dbraw/zinc/17/06/27/1026170627.db2.gz VRDMXWCDVCVVLZ-IBGZPJMESA-N 2 1 385.899 3.652 20 0 GHADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccccc2N2CCOCC2)CC1 ZINC001139508697 1026362618 /nfs/dbraw/zinc/36/26/18/1026362618.db2.gz SQSPKGWPVVASOT-UHFFFAOYSA-N 2 1 397.538 3.759 20 0 GHADMP OC[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139514891 1026371015 /nfs/dbraw/zinc/37/10/15/1026371015.db2.gz WDTUFHYSSVIFFJ-HSZRJFAPSA-N 2 1 393.575 3.603 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1ccc(-c3ccccc3)nc1)CC2 ZINC001139517031 1026375117 /nfs/dbraw/zinc/37/51/17/1026375117.db2.gz OBZMXDXBJJZPOA-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP C[C@H]1CC[C@H](C[NH3+])N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164075584 1026403730 /nfs/dbraw/zinc/40/37/30/1026403730.db2.gz XJLVTKCSBQIOLN-JKSUJKDBSA-N 2 1 399.608 3.730 20 0 GHADMP Cc1cc(N2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)c2ccccc2[nH+]1 ZINC001164203208 1026450421 /nfs/dbraw/zinc/45/04/21/1026450421.db2.gz NCWDHJPJOXYSDD-UHFFFAOYSA-N 2 1 388.519 3.650 20 0 GHADMP Cc1cnc(Cl)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001139588802 1026452317 /nfs/dbraw/zinc/45/23/17/1026452317.db2.gz WLTFZGWTGIDWDG-SFHVURJKSA-N 2 1 389.927 3.892 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@](C)(C[NH3+])CC3)c2c1C ZINC001164247139 1026463381 /nfs/dbraw/zinc/46/33/81/1026463381.db2.gz FXLHLCHKWHHRPX-NRFANRHFSA-N 2 1 387.597 3.859 20 0 GHADMP Cc1csc(N2CCC([NH2+]C3CC[NH+](Cc4ccccc4C)CC3)CC2)n1 ZINC000162135157 1026471857 /nfs/dbraw/zinc/47/18/57/1026471857.db2.gz YPLHGRTUOBEPMA-UHFFFAOYSA-N 2 1 384.593 3.983 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1ccc(-c3cccnc3)cc1)CC2 ZINC001139642848 1026504006 /nfs/dbraw/zinc/50/40/06/1026504006.db2.gz JDZLWGXJXIBFJH-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139643652 1026505780 /nfs/dbraw/zinc/50/57/80/1026505780.db2.gz ZXEKRKILBDSZAD-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139643652 1026505786 /nfs/dbraw/zinc/50/57/86/1026505786.db2.gz ZXEKRKILBDSZAD-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139643652 1026505796 /nfs/dbraw/zinc/50/57/96/1026505796.db2.gz ZXEKRKILBDSZAD-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc(O[C@H]5CCOC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001164499037 1026535522 /nfs/dbraw/zinc/53/55/22/1026535522.db2.gz KQHCZTUVHBHHAE-UVUJQTEASA-N 2 1 379.504 3.572 20 0 GHADMP [NH3+][C@@H]1CCN(Cc2cccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)C1 ZINC001164499949 1026536813 /nfs/dbraw/zinc/53/68/13/1026536813.db2.gz WCUDIYFXKQXFSL-TVYALGDOSA-N 2 1 390.575 3.542 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)nc1 ZINC001165124099 1026619645 /nfs/dbraw/zinc/61/96/45/1026619645.db2.gz HMLWVDLYRCNJPI-JOCHJYFZSA-N 2 1 376.548 3.951 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001140024678 1026812396 /nfs/dbraw/zinc/81/23/96/1026812396.db2.gz GPQJYKWROJQMED-QFIPXVFZSA-N 2 1 392.528 3.871 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cnc(-c3ccc(F)cc3)s2)CC1 ZINC001140096039 1026872520 /nfs/dbraw/zinc/87/25/20/1026872520.db2.gz LOHIZAMNINMKOQ-UHFFFAOYSA-N 2 1 390.572 3.799 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C(F)(F)F ZINC001206714843 1026988779 /nfs/dbraw/zinc/98/87/79/1026988779.db2.gz LMHFJDFAFQCGRM-ONIAQPFYSA-N 2 1 390.490 3.893 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C(F)(F)F ZINC001206714843 1026988784 /nfs/dbraw/zinc/98/87/84/1026988784.db2.gz LMHFJDFAFQCGRM-ONIAQPFYSA-N 2 1 390.490 3.893 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC001140217518 1026994414 /nfs/dbraw/zinc/99/44/14/1026994414.db2.gz NSNAZVORRQALTG-NQIIRXRSSA-N 2 1 391.987 3.899 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cn(C)c4ncccc34)C[C@H]21 ZINC001209749293 1027139825 /nfs/dbraw/zinc/13/98/25/1027139825.db2.gz VPRURAOSRHDMQI-CDNPAEQRSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c2cccnc21 ZINC001209749293 1027139837 /nfs/dbraw/zinc/13/98/37/1027139837.db2.gz VPRURAOSRHDMQI-CDNPAEQRSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c2cccnc21 ZINC001209749293 1027139852 /nfs/dbraw/zinc/13/98/52/1027139852.db2.gz VPRURAOSRHDMQI-CDNPAEQRSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c2cccnc21 ZINC001209749293 1027139862 /nfs/dbraw/zinc/13/98/62/1027139862.db2.gz VPRURAOSRHDMQI-CDNPAEQRSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2cccnc21 ZINC001209749293 1027139871 /nfs/dbraw/zinc/13/98/71/1027139871.db2.gz VPRURAOSRHDMQI-CDNPAEQRSA-N 2 1 389.547 3.701 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccccc1F)CC2 ZINC001203347178 1027284353 /nfs/dbraw/zinc/28/43/53/1027284353.db2.gz AEOIHONDKGUCLO-NRFANRHFSA-N 2 1 390.543 3.555 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1OC ZINC001203838528 1027647884 /nfs/dbraw/zinc/64/78/84/1027647884.db2.gz WHKITNLNXUUKFJ-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(F)cc4)CC3)C2)c1 ZINC001203914125 1027703924 /nfs/dbraw/zinc/70/39/24/1027703924.db2.gz HBUBXQOIVSWFOK-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(F)cc4)CC3)C2)c1 ZINC001203914125 1027703941 /nfs/dbraw/zinc/70/39/41/1027703941.db2.gz HBUBXQOIVSWFOK-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001203964397 1027761566 /nfs/dbraw/zinc/76/15/66/1027761566.db2.gz DMLUEOJLJMLRFL-UHFFFAOYSA-N 2 1 395.547 3.595 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001203967416 1027766708 /nfs/dbraw/zinc/76/67/08/1027766708.db2.gz JYBZYMHLOQXRGW-UHFFFAOYSA-N 2 1 395.547 3.595 20 0 GHADMP CCCN(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001211069833 1027774679 /nfs/dbraw/zinc/77/46/79/1027774679.db2.gz PAEXUCLYJDTNDL-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204129081 1027901663 /nfs/dbraw/zinc/90/16/63/1027901663.db2.gz GVOMJGWNLHPXLS-BVSLBCMMSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204129081 1027901670 /nfs/dbraw/zinc/90/16/70/1027901670.db2.gz GVOMJGWNLHPXLS-BVSLBCMMSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204129081 1027901675 /nfs/dbraw/zinc/90/16/75/1027901675.db2.gz GVOMJGWNLHPXLS-BVSLBCMMSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204129081 1027901681 /nfs/dbraw/zinc/90/16/81/1027901681.db2.gz GVOMJGWNLHPXLS-BVSLBCMMSA-N 2 1 395.547 3.918 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC001211311850 1027904812 /nfs/dbraw/zinc/90/48/12/1027904812.db2.gz JLBGJPYMZRTUEB-JQVVWYNYSA-N 2 1 388.600 3.519 20 0 GHADMP CSc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001142025616 1027911388 /nfs/dbraw/zinc/91/13/88/1027911388.db2.gz DOINUWBJNXGVIB-IEBWSBKVSA-N 2 1 389.590 3.588 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001142025616 1027911391 /nfs/dbraw/zinc/91/13/91/1027911391.db2.gz DOINUWBJNXGVIB-IEBWSBKVSA-N 2 1 389.590 3.588 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001142025616 1027911399 /nfs/dbraw/zinc/91/13/99/1027911399.db2.gz DOINUWBJNXGVIB-IEBWSBKVSA-N 2 1 389.590 3.588 20 0 GHADMP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC001213545412 1028255241 /nfs/dbraw/zinc/25/52/41/1028255241.db2.gz SNTFAFKLWLNNEV-UHFFFAOYSA-N 2 1 377.492 3.685 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1-c1ccccc1)CC2 ZINC001142334869 1028715262 /nfs/dbraw/zinc/71/52/62/1028715262.db2.gz LOUQNRKZMIXSGJ-UHFFFAOYSA-N 2 1 377.532 3.530 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccccc1-c1ccccc1)CC2 ZINC001142334869 1028715272 /nfs/dbraw/zinc/71/52/72/1028715272.db2.gz LOUQNRKZMIXSGJ-UHFFFAOYSA-N 2 1 377.532 3.530 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001214693674 1028865013 /nfs/dbraw/zinc/86/50/13/1028865013.db2.gz NCALQIGLKNNGBG-LJQANCHMSA-N 2 1 396.535 3.538 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000841902246 1028994993 /nfs/dbraw/zinc/99/49/93/1028994993.db2.gz RCRPUZFUFOQGLR-CTWPCTMYSA-N 2 1 380.964 3.634 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001142903161 1029662689 /nfs/dbraw/zinc/66/26/89/1029662689.db2.gz QPUYDHIRJOOXJU-QFIPXVFZSA-N 2 1 396.531 3.872 20 0 GHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CCC([NH3+])CC1 ZINC000843054671 1029789591 /nfs/dbraw/zinc/78/95/91/1029789591.db2.gz ALIFJDJZOVFKQB-UHFFFAOYSA-N 2 1 375.520 3.695 20 0 GHADMP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000843056004 1029789719 /nfs/dbraw/zinc/78/97/19/1029789719.db2.gz BQSXOBKJXGMHNB-UHFFFAOYSA-N 2 1 390.959 3.781 20 0 GHADMP CCCOc1c(Br)cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843056261 1029790660 /nfs/dbraw/zinc/79/06/60/1029790660.db2.gz GGXCDMJDFLYMKM-UHFFFAOYSA-N 2 1 385.346 3.948 20 0 GHADMP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000843343389 1029927015 /nfs/dbraw/zinc/92/70/15/1029927015.db2.gz SOCBURZIPKRIOW-FQEVSTJZSA-N 2 1 392.547 3.931 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364215 1029940405 /nfs/dbraw/zinc/94/04/05/1029940405.db2.gz RYJIZTAYAUHSEV-IBGZPJMESA-N 2 1 393.531 3.668 20 0 GHADMP Cc1ccc(Oc2ccccc2NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000843364128 1029940956 /nfs/dbraw/zinc/94/09/56/1029940956.db2.gz OTMQIYDFSVYYCW-UHFFFAOYSA-N 2 1 379.504 3.801 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363793 1029942001 /nfs/dbraw/zinc/94/20/01/1029942001.db2.gz ANGKXLGXIRNMHM-LBPRGKRZSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426751 1029998383 /nfs/dbraw/zinc/99/83/83/1029998383.db2.gz JMGPZKIDISLMRB-KCLUMXDGSA-N 2 1 387.568 3.567 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(-c3ccc(O)cc3)cc1)CC[NH2+]CC2 ZINC001222231566 1030023703 /nfs/dbraw/zinc/02/37/03/1030023703.db2.gz NEBUROCYABXURD-JOCHJYFZSA-N 2 1 394.515 3.566 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC23CCCCC3)c1 ZINC001222401080 1030108062 /nfs/dbraw/zinc/10/80/62/1030108062.db2.gz POVNPWGLLIMYNS-UHFFFAOYSA-N 2 1 378.358 3.767 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222402012 1030108342 /nfs/dbraw/zinc/10/83/42/1030108342.db2.gz WUFSDWPQWRATCD-UHFFFAOYSA-N 2 1 379.548 3.965 20 0 GHADMP Nc1cccc(F)c1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222583450 1030211061 /nfs/dbraw/zinc/21/10/61/1030211061.db2.gz NIOYUPFFOZQFBY-IBGZPJMESA-N 2 1 383.511 3.711 20 0 GHADMP Nc1cccc(F)c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222583450 1030211075 /nfs/dbraw/zinc/21/10/75/1030211075.db2.gz NIOYUPFFOZQFBY-IBGZPJMESA-N 2 1 383.511 3.711 20 0 GHADMP COc1cccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1OCC1CC1 ZINC001222615158 1030239711 /nfs/dbraw/zinc/23/97/11/1030239711.db2.gz LZXGLAOIXPVWNH-OAQYLSRUSA-N 2 1 378.516 3.673 20 0 GHADMP COc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1OCC1CC1 ZINC001222615158 1030239727 /nfs/dbraw/zinc/23/97/27/1030239727.db2.gz LZXGLAOIXPVWNH-OAQYLSRUSA-N 2 1 378.516 3.673 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cc1 ZINC001149759720 1030292665 /nfs/dbraw/zinc/29/26/65/1030292665.db2.gz WNWUILPQALWQBJ-GOTSBHOMSA-N 2 1 377.532 3.627 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)cc1 ZINC001149759720 1030292674 /nfs/dbraw/zinc/29/26/74/1030292674.db2.gz WNWUILPQALWQBJ-GOTSBHOMSA-N 2 1 377.532 3.627 20 0 GHADMP Cc1cc(C)n(Cc2cccc(-c3nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o3)c2)n1 ZINC001217753366 1030642814 /nfs/dbraw/zinc/64/28/14/1030642814.db2.gz ZLPRPEXSZYELCB-FQEVSTJZSA-N 2 1 396.539 3.766 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001150935491 1030712795 /nfs/dbraw/zinc/71/27/95/1030712795.db2.gz NNWGDXSDVIUNPN-QHCPKHFHSA-N 2 1 379.548 3.574 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@H]3C[C@H]4C[NH2+]CCN4C3)c2)CC[N@H+]1C ZINC001218078883 1030759026 /nfs/dbraw/zinc/75/90/26/1030759026.db2.gz DKYLWFCJDCZWCV-DQGGMIFGSA-N 2 1 397.607 3.654 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@H]3C[C@H]4CNCC[NH+]4C3)c2)CC[N@@H+]1C ZINC001218078883 1030759037 /nfs/dbraw/zinc/75/90/37/1030759037.db2.gz DKYLWFCJDCZWCV-DQGGMIFGSA-N 2 1 397.607 3.654 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@H]3C[C@H]4CNCC[NH+]4C3)c2)CC[N@H+]1C ZINC001218078883 1030759046 /nfs/dbraw/zinc/75/90/46/1030759046.db2.gz DKYLWFCJDCZWCV-DQGGMIFGSA-N 2 1 397.607 3.654 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@H]3C[C@H]4CNCC[N@@H+]4C3)c2)CC[NH+]1C ZINC001218078883 1030759060 /nfs/dbraw/zinc/75/90/60/1030759060.db2.gz DKYLWFCJDCZWCV-DQGGMIFGSA-N 2 1 397.607 3.654 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@H]3C[C@H]4CNCC[N@H+]4C3)c2)CC[NH+]1C ZINC001218078883 1030759072 /nfs/dbraw/zinc/75/90/72/1030759072.db2.gz DKYLWFCJDCZWCV-DQGGMIFGSA-N 2 1 397.607 3.654 20 0 GHADMP CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001223831611 1030773342 /nfs/dbraw/zinc/77/33/42/1030773342.db2.gz NKVSKITWNMNZBV-ILWGZMRPSA-N 2 1 388.600 3.734 20 0 GHADMP C[NH+](C)CC[C@@H](OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC001224135602 1030899857 /nfs/dbraw/zinc/89/98/57/1030899857.db2.gz WOCNHBFKIYRLHH-BJKOFHAPSA-N 2 1 382.548 3.987 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001218337302 1030901119 /nfs/dbraw/zinc/90/11/19/1030901119.db2.gz WRPMTYYRXTXSRI-WTNAPCKOSA-N 2 1 382.504 3.539 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC001218411064 1030927643 /nfs/dbraw/zinc/92/76/43/1030927643.db2.gz XBRVNIOJRRFKPH-HSZRJFAPSA-N 2 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC001218411064 1030927647 /nfs/dbraw/zinc/92/76/47/1030927647.db2.gz XBRVNIOJRRFKPH-HSZRJFAPSA-N 3 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC001218411064 1030927657 /nfs/dbraw/zinc/92/76/57/1030927657.db2.gz XBRVNIOJRRFKPH-HSZRJFAPSA-N 3 1 399.966 3.916 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@H]3C[C@@H](C(=O)OCc4ccccc4)C3)cc2)CC1 ZINC001218479914 1030954643 /nfs/dbraw/zinc/95/46/43/1030954643.db2.gz VMCWNOFPPAMFGU-UHGJSFDGSA-N 2 1 394.515 3.511 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001224676531 1031075444 /nfs/dbraw/zinc/07/54/44/1031075444.db2.gz RLNIKOKSGHZCQK-OALUTQOASA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001224901157 1031168750 /nfs/dbraw/zinc/16/87/50/1031168750.db2.gz XJSJOVJPGMRNIO-YRMIQGFHSA-N 2 1 398.595 3.728 20 0 GHADMP C[N@@H+]1[C@@H](C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001218974008 1031188904 /nfs/dbraw/zinc/18/89/04/1031188904.db2.gz OXRNBAZNZHMPTD-UNWVZKJWSA-N 2 1 391.515 3.807 20 0 GHADMP C[N@H+]1[C@@H](C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001218974008 1031188907 /nfs/dbraw/zinc/18/89/07/1031188907.db2.gz OXRNBAZNZHMPTD-UNWVZKJWSA-N 2 1 391.515 3.807 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1ccc(C[NH3+])cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001219347885 1031371403 /nfs/dbraw/zinc/37/14/03/1031371403.db2.gz UFDZQYPTOPDBFA-GOSISDBHSA-N 2 1 383.536 3.826 20 0 GHADMP C[C@@H](C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001219716616 1031577662 /nfs/dbraw/zinc/57/76/62/1031577662.db2.gz VAMXADZUDYBAID-WOIUINJBSA-N 2 1 391.559 3.601 20 0 GHADMP CCc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cs1 ZINC001219729352 1031581221 /nfs/dbraw/zinc/58/12/21/1031581221.db2.gz UHZFBNUGGYPXTF-HXUWFJFHSA-N 2 1 397.588 3.542 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001153638969 1031684432 /nfs/dbraw/zinc/68/44/32/1031684432.db2.gz ZBLYVUDFUJHSBQ-DYESRHJHSA-N 2 1 376.504 3.541 20 0 GHADMP CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)(c2ccccc2)CC1 ZINC001153989328 1031859710 /nfs/dbraw/zinc/85/97/10/1031859710.db2.gz PEZXUWVPFAQTRC-SFTDATJTSA-N 2 1 397.607 3.809 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC001220634469 1032033497 /nfs/dbraw/zinc/03/34/97/1032033497.db2.gz WWGXZEGWZCXCLD-UGKGYDQZSA-N 2 1 388.600 3.519 20 0 GHADMP C[NH+](C)CCCOc1ccc(-c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)cn1 ZINC001205239377 1033321229 /nfs/dbraw/zinc/32/12/29/1033321229.db2.gz JPTWLCIDZRFSLX-CECAUBDESA-N 2 1 391.519 3.768 20 0 GHADMP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001157225640 1033480579 /nfs/dbraw/zinc/48/05/79/1033480579.db2.gz JRHPHQUNSWPUPG-UHFFFAOYSA-N 2 1 375.451 3.811 20 0 GHADMP NC(=[NH2+])N(c1ccc(F)cc1)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001157225640 1033480587 /nfs/dbraw/zinc/48/05/87/1033480587.db2.gz JRHPHQUNSWPUPG-UHFFFAOYSA-N 2 1 375.451 3.811 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c2c1C ZINC001157273052 1033504815 /nfs/dbraw/zinc/50/48/15/1033504815.db2.gz VCOUGWAKADDURK-QZTJIDSGSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001157273052 1033504825 /nfs/dbraw/zinc/50/48/25/1033504825.db2.gz VCOUGWAKADDURK-QZTJIDSGSA-N 2 1 399.608 3.824 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2I)CC[C@H]1C[NH3+] ZINC001205638584 1033505786 /nfs/dbraw/zinc/50/57/86/1033505786.db2.gz PNCIMZHCLBBRGI-NEPJUHHUSA-N 2 1 392.712 3.751 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CC[C@H]1C[NH3+] ZINC001205653699 1033511964 /nfs/dbraw/zinc/51/19/64/1033511964.db2.gz UKFVJDXGJUAFLJ-MNOVXSKESA-N 2 1 380.252 3.670 20 0 GHADMP Cc1nc(-n2cc(C3CC[NH2+]CC3)c3cccc(F)c32)cc(N2CCCC2)[nH+]1 ZINC001157360070 1033554968 /nfs/dbraw/zinc/55/49/68/1033554968.db2.gz UKKSJUZQLDVURI-UHFFFAOYSA-N 2 1 379.483 3.935 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CCC1(F)F ZINC001205771851 1033566636 /nfs/dbraw/zinc/56/66/36/1033566636.db2.gz WOQYXIYQCXQJAS-HNNXBMFYSA-N 2 1 396.279 3.927 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CCC1(F)F ZINC001205771851 1033566639 /nfs/dbraw/zinc/56/66/39/1033566639.db2.gz WOQYXIYQCXQJAS-HNNXBMFYSA-N 2 1 396.279 3.927 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(-c4cccc(N5CC[NH2+]CC5)c4)ccc3C2)cc1 ZINC001205887885 1033620763 /nfs/dbraw/zinc/62/07/63/1033620763.db2.gz ZABSFYPPTASPBQ-UHFFFAOYSA-N 2 1 384.527 3.717 20 0 GHADMP C[NH+](C)CCc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CC(C)(C)O2)cc1 ZINC001229659352 1033621752 /nfs/dbraw/zinc/62/17/52/1033621752.db2.gz GHXNCVZMDCDRGE-HSZRJFAPSA-N 2 1 382.548 3.849 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@H](C[NH3+])[C@H](C)C3)c2n1 ZINC001206012250 1033685690 /nfs/dbraw/zinc/68/56/90/1033685690.db2.gz JGTCVGQMVSQUML-ZIAGYGMSSA-N 2 1 392.341 3.813 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(C)c1I ZINC001206036601 1033697243 /nfs/dbraw/zinc/69/72/43/1033697243.db2.gz LWBFGUKJMJFUEC-GDBMZVCRSA-N 2 1 386.321 3.715 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@@](F)(C[NH3+])CC1)c1ccccc1 ZINC001157744610 1033748672 /nfs/dbraw/zinc/74/86/72/1033748672.db2.gz KDKLSPDDQOOVDY-GMAHTHKFSA-N 2 1 383.511 3.539 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N1CCC[C@@](F)(C[NH3+])CC1)c1ccccc1 ZINC001157744610 1033748685 /nfs/dbraw/zinc/74/86/85/1033748685.db2.gz KDKLSPDDQOOVDY-GMAHTHKFSA-N 2 1 383.511 3.539 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2ccc(Br)cc2Br)CC1 ZINC001206506708 1033880886 /nfs/dbraw/zinc/88/08/86/1033880886.db2.gz MJPANCQUDUMSAJ-UHFFFAOYSA-N 2 1 376.136 3.772 20 0 GHADMP CCOc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc1OC(=O)C(C)C ZINC001206589555 1033918123 /nfs/dbraw/zinc/91/81/23/1033918123.db2.gz IAHVHOQFYBYSQH-IBGZPJMESA-N 2 1 376.541 3.999 20 0 GHADMP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001206616933 1033925884 /nfs/dbraw/zinc/92/58/84/1033925884.db2.gz UQOHMPGRUQSUEK-IBGZPJMESA-N 2 1 384.520 3.844 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001206616933 1033925887 /nfs/dbraw/zinc/92/58/87/1033925887.db2.gz UQOHMPGRUQSUEK-IBGZPJMESA-N 2 1 384.520 3.844 20 0 GHADMP C[C@@H]([NH3+])c1ccn(-c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)n1 ZINC001158356758 1034041303 /nfs/dbraw/zinc/04/13/03/1034041303.db2.gz UMLAWGNOIIHACU-CYBMUJFWSA-N 2 1 378.505 3.625 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207211997 1034178825 /nfs/dbraw/zinc/17/88/25/1034178825.db2.gz FEKQXHKLIHPBEA-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207211997 1034178832 /nfs/dbraw/zinc/17/88/32/1034178832.db2.gz FEKQXHKLIHPBEA-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCC2(F)F ZINC001207279975 1034232565 /nfs/dbraw/zinc/23/25/65/1034232565.db2.gz QBOUPECMAIDIDW-IBGZPJMESA-N 2 1 389.531 3.542 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207288896 1034239406 /nfs/dbraw/zinc/23/94/06/1034239406.db2.gz DUCOTGHOGGLYLJ-FGZHOGPDSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C[N@H+]2CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207289308 1034240735 /nfs/dbraw/zinc/24/07/35/1034240735.db2.gz KKLZRDNOSOKRJE-FCHUYYIVSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207291360 1034242610 /nfs/dbraw/zinc/24/26/10/1034242610.db2.gz OTWMYGKZDVXBJT-NRFANRHFSA-N 2 1 387.568 3.840 20 0 GHADMP Cc1cccc(N2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001207291929 1034243564 /nfs/dbraw/zinc/24/35/64/1034243564.db2.gz GSAXONNGVKODPD-UHFFFAOYSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207291743 1034244021 /nfs/dbraw/zinc/24/40/21/1034244021.db2.gz WSWCXIKRDIAOAP-UHFFFAOYSA-N 2 1 378.564 3.814 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207295443 1034248165 /nfs/dbraw/zinc/24/81/65/1034248165.db2.gz QQVAXCFWLWQUET-JOCHJYFZSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207295444 1034248578 /nfs/dbraw/zinc/24/85/78/1034248578.db2.gz QQVAXCFWLWQUET-QFIPXVFZSA-N 2 1 380.536 3.540 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001207330389 1034278404 /nfs/dbraw/zinc/27/84/04/1034278404.db2.gz XCXWTGXPTABGCE-QGZVFWFLSA-N 2 1 378.586 3.726 20 0 GHADMP Cc1[nH+]c(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc2[nH]ccc21 ZINC001158815541 1034284237 /nfs/dbraw/zinc/28/42/37/1034284237.db2.gz RLGQJQASTHYMBS-UHFFFAOYSA-N 2 1 380.467 3.796 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001207395790 1034340332 /nfs/dbraw/zinc/34/03/32/1034340332.db2.gz XRIROBJKRHOXST-VQTJNVASSA-N 2 1 379.589 3.687 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@]2(CCCC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001207435787 1034369352 /nfs/dbraw/zinc/36/93/52/1034369352.db2.gz MSHFKVUYQOTAKP-JOCHJYFZSA-N 2 1 379.589 3.879 20 0 GHADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475626 1034386300 /nfs/dbraw/zinc/38/63/00/1034386300.db2.gz IWLFFWSHFFJZDN-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475626 1034386312 /nfs/dbraw/zinc/38/63/12/1034386312.db2.gz IWLFFWSHFFJZDN-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475626 1034386318 /nfs/dbraw/zinc/38/63/18/1034386318.db2.gz IWLFFWSHFFJZDN-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475626 1034386327 /nfs/dbraw/zinc/38/63/27/1034386327.db2.gz IWLFFWSHFFJZDN-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001207475626 1034386337 /nfs/dbraw/zinc/38/63/37/1034386337.db2.gz IWLFFWSHFFJZDN-NKKJXINNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCc4ccccc4F)CC3)C2)c1 ZINC001207498086 1034403966 /nfs/dbraw/zinc/40/39/66/1034403966.db2.gz HCMGCZARIAXDPQ-UHFFFAOYSA-N 2 1 398.522 3.744 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCc4ccccc4F)CC3)C2)c1 ZINC001207498086 1034403971 /nfs/dbraw/zinc/40/39/71/1034403971.db2.gz HCMGCZARIAXDPQ-UHFFFAOYSA-N 2 1 398.522 3.744 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N(C)C(C)(C)C[NH3+])c23)C1 ZINC001159060078 1034406067 /nfs/dbraw/zinc/40/60/67/1034406067.db2.gz KKPUGNLHWJWYCJ-AWEZNQCLSA-N 2 1 387.597 3.585 20 0 GHADMP CC(C)c1ccc(CC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207521476 1034426619 /nfs/dbraw/zinc/42/66/19/1034426619.db2.gz XPKNGJZWWPEEEK-JWQCQUIFSA-N 2 1 393.575 3.970 20 0 GHADMP CC(C)c1ccc(CC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207521476 1034426625 /nfs/dbraw/zinc/42/66/25/1034426625.db2.gz XPKNGJZWWPEEEK-JWQCQUIFSA-N 2 1 393.575 3.970 20 0 GHADMP CC(C)c1ccc(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207521476 1034426630 /nfs/dbraw/zinc/42/66/30/1034426630.db2.gz XPKNGJZWWPEEEK-JWQCQUIFSA-N 2 1 393.575 3.970 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516366 1034666299 /nfs/dbraw/zinc/66/62/99/1034666299.db2.gz HNUVHZUVEDNEHC-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP CC(C)=CCCC1=CC[C@@H](C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001207938575 1034668218 /nfs/dbraw/zinc/66/82/18/1034668218.db2.gz SNSQOCMASOQGAB-JOCHJYFZSA-N 2 1 387.612 3.945 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001231532403 1034685751 /nfs/dbraw/zinc/68/57/51/1034685751.db2.gz BWCYWWXKMNZLPY-UHFFFAOYSA-N 2 1 380.536 3.752 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668480 1034824421 /nfs/dbraw/zinc/82/44/21/1034824421.db2.gz WMTNERMULIKVTO-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668480 1034824436 /nfs/dbraw/zinc/82/44/36/1034824436.db2.gz WMTNERMULIKVTO-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668480 1034824452 /nfs/dbraw/zinc/82/44/52/1034824452.db2.gz WMTNERMULIKVTO-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668480 1034824461 /nfs/dbraw/zinc/82/44/61/1034824461.db2.gz WMTNERMULIKVTO-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(NCC(C)(C)[NH3+])c23)C1 ZINC001160031761 1034837810 /nfs/dbraw/zinc/83/78/10/1034837810.db2.gz HXBBWYXUXASBMH-CQSZACIVSA-N 2 1 387.597 3.951 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)o1 ZINC001231691424 1034840275 /nfs/dbraw/zinc/84/02/75/1034840275.db2.gz NBAVWZVUYWIIAO-UHFFFAOYSA-N 2 1 384.520 3.601 20 0 GHADMP Cc1ccccc1OC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206673930 1034861453 /nfs/dbraw/zinc/86/14/53/1034861453.db2.gz LQZNIOCSSOPLHU-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP [NH3+]C1CCN(c2c(F)cccc2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001160108663 1034864940 /nfs/dbraw/zinc/86/49/40/1034864940.db2.gz PEAMCSRDJDUXHH-UHFFFAOYSA-N 2 1 380.511 3.955 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(NCc2ccccc2N2CC[NH2+]CC2)nc1 ZINC001160115355 1034867614 /nfs/dbraw/zinc/86/76/14/1034867614.db2.gz HAVHQOPDPOQHII-NRFANRHFSA-N 2 1 379.552 3.650 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(-c3ccncc3)cc2C[NH3+])nc1 ZINC001160339558 1034944701 /nfs/dbraw/zinc/94/47/01/1034944701.db2.gz OUTXVFDVUXGQRU-OAQYLSRUSA-N 2 1 376.508 3.725 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001208630896 1034960815 /nfs/dbraw/zinc/96/08/15/1034960815.db2.gz IVPSSRXZNWGIGL-CWMMHYCISA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001208630896 1034960823 /nfs/dbraw/zinc/96/08/23/1034960823.db2.gz IVPSSRXZNWGIGL-CWMMHYCISA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001208630896 1034960824 /nfs/dbraw/zinc/96/08/24/1034960824.db2.gz IVPSSRXZNWGIGL-CWMMHYCISA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001208630896 1034960827 /nfs/dbraw/zinc/96/08/27/1034960827.db2.gz IVPSSRXZNWGIGL-CWMMHYCISA-N 2 1 399.579 3.593 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001231978952 1035020189 /nfs/dbraw/zinc/02/01/89/1035020189.db2.gz NDIAMVDJGMPGFN-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001231978952 1035020195 /nfs/dbraw/zinc/02/01/95/1035020195.db2.gz NDIAMVDJGMPGFN-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001231978952 1035020201 /nfs/dbraw/zinc/02/02/01/1035020201.db2.gz NDIAMVDJGMPGFN-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001231978952 1035020208 /nfs/dbraw/zinc/02/02/08/1035020208.db2.gz NDIAMVDJGMPGFN-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014435 1035044582 /nfs/dbraw/zinc/04/45/82/1035044582.db2.gz IGCJROOVEXLLAO-AMHTUMDSSA-N 2 1 375.520 3.690 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160738839 1035050793 /nfs/dbraw/zinc/05/07/93/1035050793.db2.gz KVHKAVYLAUJVDK-CVEARBPZSA-N 2 1 393.388 3.571 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001160807264 1035070222 /nfs/dbraw/zinc/07/02/22/1035070222.db2.gz GTYWVVFEFCVRCL-HSZRJFAPSA-N 2 1 393.575 3.823 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093685 1035090903 /nfs/dbraw/zinc/09/09/03/1035090903.db2.gz XWSWFKQDEYKNPK-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093685 1035090911 /nfs/dbraw/zinc/09/09/11/1035090911.db2.gz XWSWFKQDEYKNPK-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093685 1035090915 /nfs/dbraw/zinc/09/09/15/1035090915.db2.gz XWSWFKQDEYKNPK-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093685 1035090918 /nfs/dbraw/zinc/09/09/18/1035090918.db2.gz XWSWFKQDEYKNPK-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093685 1035090923 /nfs/dbraw/zinc/09/09/23/1035090923.db2.gz XWSWFKQDEYKNPK-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208934585 1035099126 /nfs/dbraw/zinc/09/91/26/1035099126.db2.gz IBPIFZUSZDQHJK-HJOGWXRNSA-N 2 1 386.580 3.806 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934585 1035099135 /nfs/dbraw/zinc/09/91/35/1035099135.db2.gz IBPIFZUSZDQHJK-HJOGWXRNSA-N 2 1 386.580 3.806 20 0 GHADMP c1ccc(CC[NH+]2CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208937601 1035105226 /nfs/dbraw/zinc/10/52/26/1035105226.db2.gz URTZHENJEAUGGM-RUZDIDTESA-N 2 1 377.576 3.759 20 0 GHADMP Fc1ccc(OC2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208944127 1035113667 /nfs/dbraw/zinc/11/36/67/1035113667.db2.gz NYHQQAIHARHIMJ-FQEVSTJZSA-N 2 1 383.511 3.976 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](C[N@@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944571 1035115587 /nfs/dbraw/zinc/11/55/87/1035115587.db2.gz LCZCWISHPOYCIZ-TZRRMPRUSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944571 1035115595 /nfs/dbraw/zinc/11/55/95/1035115595.db2.gz LCZCWISHPOYCIZ-TZRRMPRUSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)C2)cc1 ZINC001208944571 1035115598 /nfs/dbraw/zinc/11/55/98/1035115598.db2.gz LCZCWISHPOYCIZ-TZRRMPRUSA-N 2 1 384.564 3.559 20 0 GHADMP COC(=O)c1ccc(C2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208944880 1035115827 /nfs/dbraw/zinc/11/58/27/1035115827.db2.gz PFQZHZHTEDEQCB-HXUWFJFHSA-N 2 1 378.516 3.785 20 0 GHADMP COC(=O)c1ccc(C2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208944880 1035115830 /nfs/dbraw/zinc/11/58/30/1035115830.db2.gz PFQZHZHTEDEQCB-HXUWFJFHSA-N 2 1 378.516 3.785 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(C[C@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946976 1035117696 /nfs/dbraw/zinc/11/76/96/1035117696.db2.gz SGNZWBPKZBYGPP-KKUQBAQOSA-N 2 1 389.587 3.881 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3CN(C[C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946976 1035117701 /nfs/dbraw/zinc/11/77/01/1035117701.db2.gz SGNZWBPKZBYGPP-KKUQBAQOSA-N 2 1 389.587 3.881 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946976 1035117707 /nfs/dbraw/zinc/11/77/07/1035117707.db2.gz SGNZWBPKZBYGPP-KKUQBAQOSA-N 2 1 389.587 3.881 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c1 ZINC001232146756 1035125149 /nfs/dbraw/zinc/12/51/49/1035125149.db2.gz GMLRJPQKJIUSAO-CQSZACIVSA-N 2 1 386.393 3.669 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c1 ZINC001232146756 1035125156 /nfs/dbraw/zinc/12/51/56/1035125156.db2.gz GMLRJPQKJIUSAO-CQSZACIVSA-N 2 1 386.393 3.669 20 0 GHADMP Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc(F)cc(C[NH+](C)C)c4)C3)CC2=O)c1 ZINC001232147478 1035125494 /nfs/dbraw/zinc/12/54/94/1035125494.db2.gz ANSNGHXUWYBEIP-DEOSSOPVSA-N 2 1 395.522 3.825 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(F)cc(C[NH+](C)C)c4)C3)CC2=O)cc1 ZINC001232148247 1035126562 /nfs/dbraw/zinc/12/65/62/1035126562.db2.gz ZVXMLQXFXLQZSK-XMMPIXPASA-N 2 1 395.522 3.825 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]2CCCC[C@@H]12 ZINC001232149692 1035127921 /nfs/dbraw/zinc/12/79/21/1035127921.db2.gz XUAIEGHPVZUALS-NRSPTQNISA-N 2 1 376.516 3.689 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001232152142 1035131852 /nfs/dbraw/zinc/13/18/52/1035131852.db2.gz UQEDZHHOTAIWLF-IBGZPJMESA-N 2 1 379.520 3.719 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001208960800 1035131929 /nfs/dbraw/zinc/13/19/29/1035131929.db2.gz ZHDRUZNJAHSORO-KIZRIRGWSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001208960800 1035131935 /nfs/dbraw/zinc/13/19/35/1035131935.db2.gz ZHDRUZNJAHSORO-KIZRIRGWSA-N 2 1 389.609 3.539 20 0 GHADMP CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001208960800 1035131941 /nfs/dbraw/zinc/13/19/41/1035131941.db2.gz ZHDRUZNJAHSORO-KIZRIRGWSA-N 2 1 389.609 3.539 20 0 GHADMP CN(C(=O)c1ccccc1)C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208961529 1035132790 /nfs/dbraw/zinc/13/27/90/1035132790.db2.gz GFIILJPUCMHUJX-JOCHJYFZSA-N 2 1 391.559 3.745 20 0 GHADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001161126645 1035150601 /nfs/dbraw/zinc/15/06/01/1035150601.db2.gz JQTWRPMWKKNLBW-GOTSBHOMSA-N 2 1 383.580 3.764 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@H]([NH3+])c1cccc2ccccc21 ZINC001161160752 1035163350 /nfs/dbraw/zinc/16/33/50/1035163350.db2.gz FQFVUJVNSAVZDP-QHCPKHFHSA-N 2 1 375.516 3.820 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001209103379 1035174005 /nfs/dbraw/zinc/17/40/05/1035174005.db2.gz VDSZPMDERSNRNN-AKIFATBCSA-N 2 1 399.579 3.547 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001209103379 1035174012 /nfs/dbraw/zinc/17/40/12/1035174012.db2.gz VDSZPMDERSNRNN-AKIFATBCSA-N 2 1 399.579 3.547 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001209103379 1035174017 /nfs/dbraw/zinc/17/40/17/1035174017.db2.gz VDSZPMDERSNRNN-AKIFATBCSA-N 2 1 399.579 3.547 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001209103379 1035174025 /nfs/dbraw/zinc/17/40/25/1035174025.db2.gz VDSZPMDERSNRNN-AKIFATBCSA-N 2 1 399.579 3.547 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC2CC[NH+](CC3CCOCC3)CC2)nc1 ZINC001161216144 1035183057 /nfs/dbraw/zinc/18/30/57/1035183057.db2.gz CUTSFUGBDQFFEX-JOCHJYFZSA-N 2 1 386.584 3.931 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001209154659 1035195439 /nfs/dbraw/zinc/19/54/39/1035195439.db2.gz QKXCUBLWEBVSGE-UHFFFAOYSA-N 2 1 399.535 3.787 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCCc1cccnc1)CC2 ZINC001209175182 1035200284 /nfs/dbraw/zinc/20/02/84/1035200284.db2.gz QNNYGBQOJKZPNC-HSZRJFAPSA-N 2 1 379.548 3.770 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)C[C@@H](C)O1 ZINC001209378628 1035261968 /nfs/dbraw/zinc/26/19/68/1035261968.db2.gz DKPHASQEDMJXCF-TXTKFYIRSA-N 2 1 386.580 3.946 20 0 GHADMP Fc1cccc(N2CCOC[C@]3(CCC[N@@H+](CCC[NH+]4CCCCC4)C3)C2)c1 ZINC001209450036 1035277065 /nfs/dbraw/zinc/27/70/65/1035277065.db2.gz HJOMKGJPYYZKKO-QHCPKHFHSA-N 2 1 389.559 3.621 20 0 GHADMP O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451984 1035277983 /nfs/dbraw/zinc/27/79/83/1035277983.db2.gz YUACEJANDMPEBP-OAQYLSRUSA-N 2 1 375.582 3.552 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209588203 1035320103 /nfs/dbraw/zinc/32/01/03/1035320103.db2.gz QDZGBRMKQWQGOD-CDNPAEQRSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209588203 1035320109 /nfs/dbraw/zinc/32/01/09/1035320109.db2.gz QDZGBRMKQWQGOD-CDNPAEQRSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209588203 1035320113 /nfs/dbraw/zinc/32/01/13/1035320113.db2.gz QDZGBRMKQWQGOD-CDNPAEQRSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209588203 1035320119 /nfs/dbraw/zinc/32/01/19/1035320119.db2.gz QDZGBRMKQWQGOD-CDNPAEQRSA-N 2 1 389.547 3.999 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC001461992623 1069932988 /nfs/dbraw/zinc/93/29/88/1069932988.db2.gz UJDFBBHNBHVMDF-SLFFLAALSA-N 2 1 384.545 3.925 20 0 GHADMP [NH3+][C@H]1CC[C@H](NC(=O)c2cccc(C3=CC[N@@H+](Cc4ccccc4)CC3)c2)CC1 ZINC001241507955 1035600380 /nfs/dbraw/zinc/60/03/80/1035600380.db2.gz WKUAZDFNFHLIKB-RQNOJGIXSA-N 2 1 389.543 3.976 20 0 GHADMP c1nc2cc(-c3cccc(C[NH+]4CCOCC4)c3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001241817437 1035709083 /nfs/dbraw/zinc/70/90/83/1035709083.db2.gz PMJFPYYPIAPLBY-JOCHJYFZSA-N 2 1 390.531 3.850 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC001248622149 1035996695 /nfs/dbraw/zinc/99/66/95/1035996695.db2.gz RNNGOLCJPTUCKM-LJQANCHMSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1CC)c1ccc(Cl)cc1 ZINC001248622409 1035997901 /nfs/dbraw/zinc/99/79/01/1035997901.db2.gz SPOWZBAHTKQTDJ-MOPGFXCFSA-N 2 1 380.964 3.506 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1 ZINC001248622409 1035997902 /nfs/dbraw/zinc/99/79/02/1035997902.db2.gz SPOWZBAHTKQTDJ-MOPGFXCFSA-N 2 1 380.964 3.506 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC001248622409 1035997908 /nfs/dbraw/zinc/99/79/08/1035997908.db2.gz SPOWZBAHTKQTDJ-MOPGFXCFSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC001245998586 1037119546 /nfs/dbraw/zinc/11/95/46/1037119546.db2.gz XJBWWEGATASLCW-WQRJOSILSA-N 2 1 389.273 3.853 20 0 GHADMP O[C@@H](C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246002793 1037123675 /nfs/dbraw/zinc/12/36/75/1037123675.db2.gz BTLZKXUHTNKGOA-SFHVURJKSA-N 2 1 382.401 3.746 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246006453 1037125472 /nfs/dbraw/zinc/12/54/72/1037125472.db2.gz WOCMFSURKLYOPK-QFBILLFUSA-N 2 1 388.930 3.884 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001246018056 1037138738 /nfs/dbraw/zinc/13/87/38/1037138738.db2.gz ABZPNIDICCWYTI-SBUREZEXSA-N 2 1 381.520 3.512 20 0 GHADMP Cc1ccc(F)cc1C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054784 1037167813 /nfs/dbraw/zinc/16/78/13/1037167813.db2.gz JPRFPCKXNYFLLS-NRFANRHFSA-N 2 1 378.438 3.700 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054784 1037167832 /nfs/dbraw/zinc/16/78/32/1037167832.db2.gz JPRFPCKXNYFLLS-NRFANRHFSA-N 2 1 378.438 3.700 20 0 GHADMP COc1ccccc1C[N@@H+](C[C@H](O)COc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246065088 1037178224 /nfs/dbraw/zinc/17/82/24/1037178224.db2.gz GTWOIAVFQQGKMW-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP COc1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067246 1037180416 /nfs/dbraw/zinc/18/04/16/1037180416.db2.gz OMIIOWOUBUHEBZ-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001246067286 1037180801 /nfs/dbraw/zinc/18/08/01/1037180801.db2.gz OZMQKZBDQVNNLU-WFXMLNOXSA-N 2 1 378.438 3.909 20 0 GHADMP Cc1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068289 1037184144 /nfs/dbraw/zinc/18/41/44/1037184144.db2.gz ICYMSPCSBLFTHL-DNVJHFABSA-N 2 1 382.548 3.815 20 0 GHADMP O[C@@H](C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246070590 1037185577 /nfs/dbraw/zinc/18/55/77/1037185577.db2.gz TYFVRVQYOBBLGY-FQEVSTJZSA-N 2 1 380.866 3.906 20 0 GHADMP O[C@@H](C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246070590 1037185591 /nfs/dbraw/zinc/18/55/91/1037185591.db2.gz TYFVRVQYOBBLGY-FQEVSTJZSA-N 2 1 380.866 3.906 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H](O)COc2ccc(F)cc2F)CC2CCCCC2)CC1 ZINC001246069896 1037186455 /nfs/dbraw/zinc/18/64/55/1037186455.db2.gz YYQIZFAVBALXMG-UFYCRDLUSA-N 2 1 396.522 3.857 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C[C@]2(F)CCCC[NH2+]C2)CC1 ZINC001246112718 1037199313 /nfs/dbraw/zinc/19/93/13/1037199313.db2.gz MHYOEXVLKAQFCG-CKHPTIKVSA-N 2 1 396.934 3.765 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123869 1037202345 /nfs/dbraw/zinc/20/23/45/1037202345.db2.gz VCSCLKABWKIUNH-OFNKIYASSA-N 3 1 395.566 3.848 20 0 GHADMP CC[C@@H]1C[C@H](N[C@@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)CC[NH2+]1 ZINC001246129772 1037205798 /nfs/dbraw/zinc/20/57/98/1037205798.db2.gz PKZZUXKFZRSHFC-IIDMSEBBSA-N 2 1 392.385 3.635 20 0 GHADMP [NH3+]CCCC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCc1ccccc1 ZINC001246191866 1037231262 /nfs/dbraw/zinc/23/12/62/1037231262.db2.gz RDBQARXYGBEXDH-ABHNRTSZSA-N 2 1 386.458 3.938 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@H](CC(=O)OC)c2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC001246253145 1037255720 /nfs/dbraw/zinc/25/57/20/1037255720.db2.gz CUGDKIMPGMLVGE-FUPPJEDESA-N 2 1 396.531 3.990 20 0 GHADMP CC[NH2+]CCN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246272043 1037268563 /nfs/dbraw/zinc/26/85/63/1037268563.db2.gz KNURZCRZXXLWOO-ISJGIBHGSA-N 2 1 377.576 3.951 20 0 GHADMP CC(C)[C@@H]1C[C@@H](n2cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc32)CC[NH2+]1 ZINC001246348590 1037308406 /nfs/dbraw/zinc/30/84/06/1037308406.db2.gz CVXZYVGVTKPBFI-IHPCNDPISA-N 2 1 385.552 3.802 20 0 GHADMP C[C@@H]1CC([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)C[C@@H](C)[NH2+]1 ZINC001246361765 1037320759 /nfs/dbraw/zinc/32/07/59/1037320759.db2.gz OOVUSPOPKDLKSQ-HZPDHXFCSA-N 2 1 394.401 3.780 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246362173 1037321844 /nfs/dbraw/zinc/32/18/44/1037321844.db2.gz NXLLDXZMOBLSOG-XPNTWCBSSA-N 2 1 385.502 3.930 20 0 GHADMP Fc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246397685 1037356144 /nfs/dbraw/zinc/35/61/44/1037356144.db2.gz GIVMOUXDTZPYCP-YZUZCNPQSA-N 3 1 381.539 3.819 20 0 GHADMP CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246447332 1037410323 /nfs/dbraw/zinc/41/03/23/1037410323.db2.gz GSTUEAKSDQDYAA-VZQLXNMESA-N 2 1 397.563 3.933 20 0 GHADMP Clc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH2+]CC1 ZINC001246449875 1037410774 /nfs/dbraw/zinc/41/07/74/1037410774.db2.gz JKQJUIRVYYFGMU-IHWFROFDSA-N 3 1 387.999 3.956 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246452192 1037412746 /nfs/dbraw/zinc/41/27/46/1037412746.db2.gz CSLGYIWISFAVQF-JTHBVZDNSA-N 2 1 381.539 3.882 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC[NH2+]1 ZINC001246468317 1037421227 /nfs/dbraw/zinc/42/12/27/1037421227.db2.gz WYYUMKSKGVSGEW-QZTJIDSGSA-N 2 1 381.499 3.936 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)ccc1Br ZINC001246479038 1037426412 /nfs/dbraw/zinc/42/64/12/1037426412.db2.gz QNGWUUCMCPQCEV-ZWKOTPCHSA-N 2 1 389.337 3.911 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H](N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246551515 1037478397 /nfs/dbraw/zinc/47/83/97/1037478397.db2.gz RRPANRPXEFUNRT-OALUTQOASA-N 2 1 383.502 3.990 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCC[C@]34CCC[NH2+]C4)CC2)cc1 ZINC001246611550 1037503518 /nfs/dbraw/zinc/50/35/18/1037503518.db2.gz UKVHULPNBSVUQO-IBGZPJMESA-N 2 1 378.358 3.636 20 0 GHADMP CCOC(=O)CC[C@H](C)[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617825 1037506337 /nfs/dbraw/zinc/50/63/37/1037506337.db2.gz GWUWRWKVRWLAOV-PZJWPPBQSA-N 2 1 388.552 3.522 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)C2 ZINC001246618671 1037510573 /nfs/dbraw/zinc/51/05/73/1037510573.db2.gz ITMORKYDCPDBDZ-UXHICEINSA-N 2 1 383.333 3.605 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)C2 ZINC001246618671 1037510589 /nfs/dbraw/zinc/51/05/89/1037510589.db2.gz ITMORKYDCPDBDZ-UXHICEINSA-N 2 1 383.333 3.605 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246624990 1037515226 /nfs/dbraw/zinc/51/52/26/1037515226.db2.gz QNPXXSNJFREYEP-NHCUHLMSSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246624990 1037515240 /nfs/dbraw/zinc/51/52/40/1037515240.db2.gz QNPXXSNJFREYEP-NHCUHLMSSA-N 2 1 397.360 3.995 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@@H+]([C@@H]1CCc3cccc(Br)c3C1)C2 ZINC001246636276 1037521594 /nfs/dbraw/zinc/52/15/94/1037521594.db2.gz FZSGOCSFGNEKJK-RHSMWYFYSA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@H+]([C@@H]1CCc3cccc(Br)c3C1)C2 ZINC001246636276 1037521606 /nfs/dbraw/zinc/52/16/06/1037521606.db2.gz FZSGOCSFGNEKJK-RHSMWYFYSA-N 2 1 385.296 3.627 20 0 GHADMP O=C1C[C@@H]([N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CCN1 ZINC001246651968 1037526790 /nfs/dbraw/zinc/52/67/90/1037526790.db2.gz NBWKKIFIGPYLOS-QFIPXVFZSA-N 2 1 383.580 3.814 20 0 GHADMP c1ccc(C[C@H]2C[C@H](N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246672972 1037536798 /nfs/dbraw/zinc/53/67/98/1037536798.db2.gz IJTXPUUIHGFFEJ-ZJSPYRCASA-N 2 1 389.587 3.946 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC001246677254 1037542963 /nfs/dbraw/zinc/54/29/63/1037542963.db2.gz MGYDGQOMPLKOJY-AFXVXQJMSA-N 2 1 378.516 3.586 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)CC1 ZINC001246684649 1037548925 /nfs/dbraw/zinc/54/89/25/1037548925.db2.gz MTJOYTGRNSBSKQ-JQGMKKRVSA-N 2 1 384.564 3.966 20 0 GHADMP c1ccc(OC[C@@H]2CCC[C@@]23C[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CCO3)nc1 ZINC001246710364 1037560499 /nfs/dbraw/zinc/56/04/99/1037560499.db2.gz RWVGHYGJGRILKD-GBXCKJPGSA-N 2 1 399.579 3.644 20 0 GHADMP CCCC[C@@H]1C[C@H](N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246713651 1037565322 /nfs/dbraw/zinc/56/53/22/1037565322.db2.gz GJOWFKHKWXNEMF-XCWFNORRSA-N 2 1 389.584 3.502 20 0 GHADMP CCCC[C@@H]1C[C@H](N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CC[NH2+]1 ZINC001246713651 1037565331 /nfs/dbraw/zinc/56/53/31/1037565331.db2.gz GJOWFKHKWXNEMF-XCWFNORRSA-N 2 1 389.584 3.502 20 0 GHADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)C2=O)c1 ZINC001246729176 1037578744 /nfs/dbraw/zinc/57/87/44/1037578744.db2.gz NRFUBVIAGPMCGP-VWNXMTODSA-N 2 1 395.591 3.874 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CCN[C@@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754991 1037596158 /nfs/dbraw/zinc/59/61/58/1037596158.db2.gz JAYLVPFTPLQEHR-DWLFOUALSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754991 1037596176 /nfs/dbraw/zinc/59/61/76/1037596176.db2.gz JAYLVPFTPLQEHR-DWLFOUALSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754991 1037596196 /nfs/dbraw/zinc/59/61/96/1037596196.db2.gz JAYLVPFTPLQEHR-DWLFOUALSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@@]2(CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)CN1c1cccc(F)c1 ZINC001246760158 1037602209 /nfs/dbraw/zinc/60/22/09/1037602209.db2.gz UBVXITITOVUTEQ-HSZRJFAPSA-N 2 1 385.527 3.567 20 0 GHADMP CCCC[C@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761025 1037605366 /nfs/dbraw/zinc/60/53/66/1037605366.db2.gz YFRDEZQZQFLLMG-XZOQPEGZSA-N 2 1 385.596 3.664 20 0 GHADMP Fc1cccc2c1CC[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246770480 1037612964 /nfs/dbraw/zinc/61/29/64/1037612964.db2.gz KJRSZTXFRXIEMV-LJQANCHMSA-N 2 1 382.527 3.818 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[NH2+]1 ZINC001246778370 1037617396 /nfs/dbraw/zinc/61/73/96/1037617396.db2.gz USBHCLDNARTQHD-DWLFOUALSA-N 2 1 387.543 3.652 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[NH2+]1 ZINC001246778370 1037617403 /nfs/dbraw/zinc/61/74/03/1037617403.db2.gz USBHCLDNARTQHD-DWLFOUALSA-N 2 1 387.543 3.652 20 0 GHADMP O=C1CC2(CC[NH+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)Oc2ccccc21 ZINC001246795239 1037632393 /nfs/dbraw/zinc/63/23/93/1037632393.db2.gz DEDWEYFFIQBJFT-RTWAWAEBSA-N 2 1 390.527 3.850 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246817101 1037649264 /nfs/dbraw/zinc/64/92/64/1037649264.db2.gz JDHWIUPHSYQIIP-INIZCTEOSA-N 2 1 382.474 3.535 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246822452 1037654616 /nfs/dbraw/zinc/65/46/16/1037654616.db2.gz BAPZZWSSIHDUFN-CUUWFGFTSA-N 2 1 384.564 3.792 20 0 GHADMP CN(C1C[NH2+]C1)[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246828559 1037660381 /nfs/dbraw/zinc/66/03/81/1037660381.db2.gz CFYSLZVYBZHMPY-ICDZXHCJSA-N 2 1 375.560 3.655 20 0 GHADMP c1ccc(CN2CC[C@H]([N@@H+](Cc3ccccc3)[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246844306 1037671093 /nfs/dbraw/zinc/67/10/93/1037671093.db2.gz YSNOXRAOXRNCCQ-NDBXHCKUSA-N 2 1 375.560 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC001246859292 1037681176 /nfs/dbraw/zinc/68/11/76/1037681176.db2.gz JIAKIYBBSPNDCC-NFBKMPQASA-N 2 1 375.560 3.786 20 0 GHADMP C[C@@H]1C[C@@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001246859292 1037681181 /nfs/dbraw/zinc/68/11/81/1037681181.db2.gz JIAKIYBBSPNDCC-NFBKMPQASA-N 2 1 375.560 3.786 20 0 GHADMP C[C@@H]1C[C@@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)C[N@H+]1Cc1ccccc1 ZINC001246859292 1037681190 /nfs/dbraw/zinc/68/11/90/1037681190.db2.gz JIAKIYBBSPNDCC-NFBKMPQASA-N 2 1 375.560 3.786 20 0 GHADMP Cc1cc(N2CC[NH+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)n(-c2ccccc2)n1 ZINC001246876216 1037687592 /nfs/dbraw/zinc/68/75/92/1037687592.db2.gz BDSIEUKXSAUIMV-JOCHJYFZSA-N 2 1 393.579 3.758 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCN([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894757 1037710665 /nfs/dbraw/zinc/71/06/65/1037710665.db2.gz PWXBHMMQSDDYTQ-LIONHTAISA-N 2 1 375.560 3.934 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC[NH2+]1 ZINC001246906188 1037714645 /nfs/dbraw/zinc/71/46/45/1037714645.db2.gz DBJXWBNEHBLIDX-RTWAWAEBSA-N 2 1 387.568 3.541 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC001246926169 1037730089 /nfs/dbraw/zinc/73/00/89/1037730089.db2.gz SIRJYIFCEVTTLS-NQIIRXRSSA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC001246926169 1037730107 /nfs/dbraw/zinc/73/01/07/1037730107.db2.gz SIRJYIFCEVTTLS-NQIIRXRSSA-N 2 1 398.547 3.898 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([N@@H+]3CCCC4(CN(Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246935899 1037740599 /nfs/dbraw/zinc/74/05/99/1037740599.db2.gz CPJCGZWCEBSDEY-DQEYMECFSA-N 2 1 389.587 3.948 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3CCCC4(CN(Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246935899 1037740620 /nfs/dbraw/zinc/74/06/20/1037740620.db2.gz CPJCGZWCEBSDEY-DQEYMECFSA-N 2 1 389.587 3.948 20 0 GHADMP O=C1CC[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CCN1Cc1ccccc1 ZINC001246936895 1037742913 /nfs/dbraw/zinc/74/29/13/1037742913.db2.gz KKSIVZWBXSEGCK-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)C1 ZINC001246938524 1037743817 /nfs/dbraw/zinc/74/38/17/1037743817.db2.gz QBYXJZRTIJFKDR-CTNGQTDRSA-N 2 1 376.516 3.749 20 0 GHADMP c1ccc([C@@H]2CCC[C@H]([N@@H+](CCCN3CCOCC3)CC3CC[NH2+]CC3)C2)cc1 ZINC001246942299 1037746949 /nfs/dbraw/zinc/74/69/49/1037746949.db2.gz JKQCLJUNYROMHH-RPBOFIJWSA-N 2 1 399.623 3.737 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3cc(F)ccc3C2)c1 ZINC001246956870 1037767285 /nfs/dbraw/zinc/76/72/85/1037767285.db2.gz IBOHDXJVCYBEAZ-QHCPKHFHSA-N 2 1 396.506 3.724 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1)CO2 ZINC001246960746 1037779358 /nfs/dbraw/zinc/77/93/58/1037779358.db2.gz NEPHOYVBXUBIDP-FQEVSTJZSA-N 2 1 384.495 3.700 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1)CO2 ZINC001246960746 1037779361 /nfs/dbraw/zinc/77/93/61/1037779361.db2.gz NEPHOYVBXUBIDP-FQEVSTJZSA-N 2 1 384.495 3.700 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)[nH+]1 ZINC001246960663 1037779878 /nfs/dbraw/zinc/77/98/78/1037779878.db2.gz MJMUPWQXJIQIHH-IFMALSPDSA-N 3 1 382.527 3.889 20 0 GHADMP COc1ccc(C[N@@H+]([C@H](C)CCC(=O)OC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246965773 1037788001 /nfs/dbraw/zinc/78/80/01/1037788001.db2.gz QNXATVVWPPTOMZ-MISYRCLQSA-N 2 1 376.541 3.887 20 0 GHADMP COc1ccc(C[N@H+](C2CC[NH2+]CC2)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001246968018 1037792867 /nfs/dbraw/zinc/79/28/67/1037792867.db2.gz WOWRNOFDMHHMEA-FQEVSTJZSA-N 2 1 386.923 3.906 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001246968018 1037792884 /nfs/dbraw/zinc/79/28/84/1037792884.db2.gz WOWRNOFDMHHMEA-FQEVSTJZSA-N 2 1 386.923 3.906 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)CCN2)cc1 ZINC001246982297 1037805771 /nfs/dbraw/zinc/80/57/71/1037805771.db2.gz BTRLTFOLQWSYDC-BJKOFHAPSA-N 2 1 399.542 3.759 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C2)c1-c1ccccc1 ZINC001246992260 1037815668 /nfs/dbraw/zinc/81/56/68/1037815668.db2.gz VJQHVORSHNGQBC-JLSDUUJJSA-N 2 1 384.549 3.698 20 0 GHADMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001246998735 1037823794 /nfs/dbraw/zinc/82/37/94/1037823794.db2.gz ZSSHXVKGSKLCLM-VJBWXMMDSA-N 2 1 378.516 3.973 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001247000854 1037826889 /nfs/dbraw/zinc/82/68/89/1037826889.db2.gz HDJMGRYGFUBFOX-HXUWFJFHSA-N 2 1 378.516 3.873 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001247005604 1037830716 /nfs/dbraw/zinc/83/07/16/1037830716.db2.gz QAAXGABTNWJONB-GOSISDBHSA-N 2 1 378.516 3.541 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+]([C@H](C)CCc2ccc(Cl)c(Cl)c2)CCC12C[NH2+]C2 ZINC001247010877 1037833753 /nfs/dbraw/zinc/83/37/53/1037833753.db2.gz WIXULBFOULHMPN-GDBMZVCRSA-N 2 1 399.362 3.789 20 0 GHADMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cccc(C(F)(F)F)c1 ZINC001232364496 1038142082 /nfs/dbraw/zinc/14/20/82/1038142082.db2.gz VXCAPAMHUZZSOK-UHFFFAOYSA-N 2 1 392.469 3.874 20 0 GHADMP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001232366787 1038142967 /nfs/dbraw/zinc/14/29/67/1038142967.db2.gz PIOHOBNZYYUJKB-QFIPXVFZSA-N 2 1 380.536 3.569 20 0 GHADMP COc1ccc(OC(C)C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232387807 1038169714 /nfs/dbraw/zinc/16/97/14/1038169714.db2.gz DLAXTZDEQZCXPC-IRLDBZIGSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(OC(C)C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232387807 1038169723 /nfs/dbraw/zinc/16/97/23/1038169723.db2.gz DLAXTZDEQZCXPC-IRLDBZIGSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(OC(C)C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232387807 1038169729 /nfs/dbraw/zinc/16/97/29/1038169729.db2.gz DLAXTZDEQZCXPC-IRLDBZIGSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(OC(C)C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001232387807 1038169732 /nfs/dbraw/zinc/16/97/32/1038169732.db2.gz DLAXTZDEQZCXPC-IRLDBZIGSA-N 2 1 395.547 3.831 20 0 GHADMP Cc1cccc(C[C@@H]([NH3+])c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)c1 ZINC001247644305 1038287539 /nfs/dbraw/zinc/28/75/39/1038287539.db2.gz CXCYXWPIAQNLHX-XWGMLZDCSA-N 2 1 375.476 3.749 20 0 GHADMP Fc1cc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(F)cc1Cl ZINC001247904728 1038476562 /nfs/dbraw/zinc/47/65/62/1038476562.db2.gz IAOPMJHTSJIMME-LLVKDONJSA-N 2 1 382.842 3.600 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1noc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247907364 1038480757 /nfs/dbraw/zinc/48/07/57/1038480757.db2.gz RWXWVIPKNNPVNH-CYBMUJFWSA-N 2 1 396.413 3.567 20 0 GHADMP Fc1ccc(C(F)(F)F)cc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247906713 1038480948 /nfs/dbraw/zinc/48/09/48/1038480948.db2.gz DTLSXFRCHLOLSX-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccc(O)cc13)CC2 ZINC001232864281 1038623878 /nfs/dbraw/zinc/62/38/78/1038623878.db2.gz PAOZZJJPLSAXGR-GOSISDBHSA-N 2 1 395.503 3.722 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(-c3cccc(F)c3)nc2)CC1 ZINC001232889146 1038673658 /nfs/dbraw/zinc/67/36/58/1038673658.db2.gz YTNHPVOJPJUVHF-UHFFFAOYSA-N 2 1 384.543 3.737 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383845 1038968891 /nfs/dbraw/zinc/96/88/91/1038968891.db2.gz XXDBIQWAFXAEJN-BHDDXSALSA-N 2 1 382.548 3.918 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383845 1038968893 /nfs/dbraw/zinc/96/88/93/1038968893.db2.gz XXDBIQWAFXAEJN-BHDDXSALSA-N 2 1 382.548 3.918 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC001252383845 1038968904 /nfs/dbraw/zinc/96/89/04/1038968904.db2.gz XXDBIQWAFXAEJN-BHDDXSALSA-N 2 1 382.548 3.918 20 0 GHADMP O[C@@]1(C[NH2+]CCc2ccc(Cl)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001252943529 1039288130 /nfs/dbraw/zinc/28/81/30/1039288130.db2.gz LIWLDTJWTGJKNI-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCc2ccc(Cl)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943529 1039288145 /nfs/dbraw/zinc/28/81/45/1039288145.db2.gz LIWLDTJWTGJKNI-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCCc2ccc(C(F)(F)F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252945609 1039289306 /nfs/dbraw/zinc/28/93/06/1039289306.db2.gz FNLYARJUDXOIGK-OAQYLSRUSA-N 2 1 392.465 3.865 20 0 GHADMP O[C@@]1(C[NH2+]CCCc2ccc(C(F)(F)F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945609 1039289324 /nfs/dbraw/zinc/28/93/24/1039289324.db2.gz FNLYARJUDXOIGK-OAQYLSRUSA-N 2 1 392.465 3.865 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949035 1039293388 /nfs/dbraw/zinc/29/33/88/1039293388.db2.gz FJXALICRDHOLFE-ZLFMQQKDSA-N 2 1 376.544 3.795 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949035 1039293397 /nfs/dbraw/zinc/29/33/97/1039293397.db2.gz FJXALICRDHOLFE-ZLFMQQKDSA-N 2 1 376.544 3.795 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3ccccc3Cl)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252954112 1039297399 /nfs/dbraw/zinc/29/73/99/1039297399.db2.gz QTWNQEXWJPJKRV-HSZRJFAPSA-N 2 1 384.951 3.889 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3ccccc3Cl)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252954112 1039297413 /nfs/dbraw/zinc/29/74/13/1039297413.db2.gz QTWNQEXWJPJKRV-HSZRJFAPSA-N 2 1 384.951 3.889 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH+](CCC(C)C)CC1 ZINC001462359538 1070198751 /nfs/dbraw/zinc/19/87/51/1070198751.db2.gz XILVKFUHBJEOQA-ISKFKSNPSA-N 2 1 387.612 3.624 20 0 GHADMP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC001462359538 1070198760 /nfs/dbraw/zinc/19/87/60/1070198760.db2.gz XILVKFUHBJEOQA-ISKFKSNPSA-N 2 1 387.612 3.624 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@](C)(O)c2ccccc2)CC3)c1 ZINC001253100147 1039423267 /nfs/dbraw/zinc/42/32/67/1039423267.db2.gz MNMKUPXKPZUQRI-DEOSSOPVSA-N 2 1 394.559 3.891 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001253104375 1039426554 /nfs/dbraw/zinc/42/65/54/1039426554.db2.gz RHUWSVPIXABMCG-COXVUDFISA-N 2 1 382.346 3.629 20 0 GHADMP Cc1cc(N2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)c2ccccc2[nH+]1 ZINC001253349937 1039561669 /nfs/dbraw/zinc/56/16/69/1039561669.db2.gz HOZMTDTXLMQUTC-JOCHJYFZSA-N 2 1 383.442 3.677 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254188281 1040036098 /nfs/dbraw/zinc/03/60/98/1040036098.db2.gz JEJNRGQGAAYFRX-LJQANCHMSA-N 2 1 388.556 3.738 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cc(OCc4ccccc4)c(OC)cc3C)C[C@H]2C1 ZINC001234518870 1040096987 /nfs/dbraw/zinc/09/69/87/1040096987.db2.gz PMJVYWQMPWXASN-FGZHOGPDSA-N 2 1 380.532 3.966 20 0 GHADMP CCC[C@H](CCc1ccccc1)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001254493598 1040278565 /nfs/dbraw/zinc/27/85/65/1040278565.db2.gz LYXGVOXDODLIQR-HSZRJFAPSA-N 2 1 395.591 3.612 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]C2(Cc3ccc(Br)cc3)CCOCC2)CC1 ZINC001254513013 1040291585 /nfs/dbraw/zinc/29/15/85/1040291585.db2.gz VANRJMSYARVNFC-SFHVURJKSA-N 2 1 381.358 3.615 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001462461106 1070269395 /nfs/dbraw/zinc/26/93/95/1070269395.db2.gz NKJJEJAIZCLVFI-GCJKJVERSA-N 2 1 383.536 3.924 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001462461106 1070269413 /nfs/dbraw/zinc/26/94/13/1070269413.db2.gz NKJJEJAIZCLVFI-GCJKJVERSA-N 2 1 383.536 3.924 20 0 GHADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001462461104 1070269958 /nfs/dbraw/zinc/26/99/58/1070269958.db2.gz NKJJEJAIZCLVFI-AVRDEDQJSA-N 2 1 383.536 3.924 20 0 GHADMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001462461104 1070269967 /nfs/dbraw/zinc/26/99/67/1070269967.db2.gz NKJJEJAIZCLVFI-AVRDEDQJSA-N 2 1 383.536 3.924 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235002893 1040494269 /nfs/dbraw/zinc/49/42/69/1040494269.db2.gz YJYWSNMWEXQINQ-DEOSSOPVSA-N 2 1 394.515 3.628 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235002893 1040494281 /nfs/dbraw/zinc/49/42/81/1040494281.db2.gz YJYWSNMWEXQINQ-DEOSSOPVSA-N 2 1 394.515 3.628 20 0 GHADMP Fc1cc(-c2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cnc1Cl ZINC001235024248 1040516627 /nfs/dbraw/zinc/51/66/27/1040516627.db2.gz XMFUOBLMAJXGLJ-NRFANRHFSA-N 2 1 389.902 3.743 20 0 GHADMP Fc1cc(-c2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cnc1Cl ZINC001235024248 1040516640 /nfs/dbraw/zinc/51/66/40/1040516640.db2.gz XMFUOBLMAJXGLJ-NRFANRHFSA-N 2 1 389.902 3.743 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC001235039251 1040533164 /nfs/dbraw/zinc/53/31/64/1040533164.db2.gz WPTGTZSXBFYFNK-IUODEOHRSA-N 2 1 382.348 3.535 20 0 GHADMP CCOc1cc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1OCCCOC ZINC001235046520 1040539027 /nfs/dbraw/zinc/53/90/27/1040539027.db2.gz RAHDRGKEFWWNMX-QFIPXVFZSA-N 2 1 376.541 3.609 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1OCCCOC ZINC001235046520 1040539044 /nfs/dbraw/zinc/53/90/44/1040539044.db2.gz RAHDRGKEFWWNMX-QFIPXVFZSA-N 2 1 376.541 3.609 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(OCc2ccccc2)cc1OC ZINC001235092508 1040581745 /nfs/dbraw/zinc/58/17/45/1040581745.db2.gz KPBMRJWFVMXJOF-UHFFFAOYSA-N 2 1 396.531 3.858 20 0 GHADMP COc1ccc(Br)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001235155548 1040647404 /nfs/dbraw/zinc/64/74/04/1040647404.db2.gz LMEBMEJROYLFDP-INIZCTEOSA-N 2 1 385.321 3.951 20 0 GHADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Br)c(OC(F)(F)F)c1)CC2 ZINC001235182577 1040673496 /nfs/dbraw/zinc/67/34/96/1040673496.db2.gz JMEUYKVGUDZJEF-UHFFFAOYSA-N 2 1 393.247 3.875 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235236637 1040715726 /nfs/dbraw/zinc/71/57/26/1040715726.db2.gz GBRPBMGDYNJRFZ-RRFGBZISSA-N 2 1 378.463 3.505 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235241122 1040722443 /nfs/dbraw/zinc/72/24/43/1040722443.db2.gz YLTLCOVSHIDPFW-SFHVURJKSA-N 2 1 396.373 3.985 20 0 GHADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068710 1040763421 /nfs/dbraw/zinc/76/34/21/1040763421.db2.gz BNYDPFJFXSPEFL-NHTNDUFYSA-N 2 1 376.544 3.864 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(C)c(C)s1)C2 ZINC001235325664 1040794730 /nfs/dbraw/zinc/79/47/30/1040794730.db2.gz NEIHHONGVLKXHT-GHTZIAJQSA-N 2 1 376.566 3.510 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc3cccccc1-3)C2 ZINC001235325604 1040795248 /nfs/dbraw/zinc/79/52/48/1040795248.db2.gz MRTUFRVQDSCGGE-WIOPSUGQSA-N 2 1 392.543 3.936 20 0 GHADMP Cc1cccc(N([C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001255112558 1040797113 /nfs/dbraw/zinc/79/71/13/1040797113.db2.gz APBJVQBEGHIIJP-DSITVLBTSA-N 2 1 391.559 3.597 20 0 GHADMP Cc1cccc(N([C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001255112559 1040798615 /nfs/dbraw/zinc/79/86/15/1040798615.db2.gz APBJVQBEGHIIJP-DSNGMDLFSA-N 2 1 391.559 3.597 20 0 GHADMP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338539 1040806907 /nfs/dbraw/zinc/80/69/07/1040806907.db2.gz BDXXHISZXNURHR-LLVKDONJSA-N 2 1 396.318 3.693 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001255120049 1040811075 /nfs/dbraw/zinc/81/10/75/1040811075.db2.gz JQNMYWRFKSCGTA-DEOSSOPVSA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255120049 1040811080 /nfs/dbraw/zinc/81/10/80/1040811080.db2.gz JQNMYWRFKSCGTA-DEOSSOPVSA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255120049 1040811091 /nfs/dbraw/zinc/81/10/91/1040811091.db2.gz JQNMYWRFKSCGTA-DEOSSOPVSA-N 2 1 381.539 3.996 20 0 GHADMP c1ccc(CN2CC(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC001255124943 1040817427 /nfs/dbraw/zinc/81/74/27/1040817427.db2.gz QBJATPZKSADMAG-MPIKPJSNSA-N 2 1 375.560 3.904 20 0 GHADMP c1ccc(C[NH+]2CC(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC001255124943 1040817445 /nfs/dbraw/zinc/81/74/45/1040817445.db2.gz QBJATPZKSADMAG-MPIKPJSNSA-N 2 1 375.560 3.904 20 0 GHADMP c1ccc(C[NH+]2CC(CN[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cc1 ZINC001255124943 1040817464 /nfs/dbraw/zinc/81/74/64/1040817464.db2.gz QBJATPZKSADMAG-MPIKPJSNSA-N 2 1 375.560 3.904 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235348177 1040824347 /nfs/dbraw/zinc/82/43/47/1040824347.db2.gz CAWWIVDLWKWANB-ILBGXUMGSA-N 2 1 392.543 3.875 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn21 ZINC001255131843 1040829495 /nfs/dbraw/zinc/82/94/95/1040829495.db2.gz GWTOQEKHEXPRLC-WKCHPHFGSA-N 2 1 375.520 3.577 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn21 ZINC001255131843 1040829506 /nfs/dbraw/zinc/82/95/06/1040829506.db2.gz GWTOQEKHEXPRLC-WKCHPHFGSA-N 2 1 375.520 3.577 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(-c4ccsc4)cs3)C[C@@H]1CC[NH2+]CC2 ZINC001235351567 1040831323 /nfs/dbraw/zinc/83/13/23/1040831323.db2.gz GPTDIZCVQHMLGP-PXNSSMCTSA-N 2 1 390.574 3.841 20 0 GHADMP c1nc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1Cc1ccccn1 ZINC001255134146 1040833448 /nfs/dbraw/zinc/83/34/48/1040833448.db2.gz XVVXDFCQJJFAKB-VILGAWFOSA-N 2 1 387.531 3.612 20 0 GHADMP COCc1cccc([C@@H](CO)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255134343 1040834349 /nfs/dbraw/zinc/83/43/49/1040834349.db2.gz BBHWIGHLYSGJCK-JLLPCOHGSA-N 2 1 380.532 3.652 20 0 GHADMP COCc1cccc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255134343 1040834367 /nfs/dbraw/zinc/83/43/67/1040834367.db2.gz BBHWIGHLYSGJCK-JLLPCOHGSA-N 2 1 380.532 3.652 20 0 GHADMP Clc1ncnc2ccc(C[N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cc12 ZINC001235357413 1040836896 /nfs/dbraw/zinc/83/68/96/1040836896.db2.gz APNSGUVCVYXGBG-DENIHFKCSA-N 2 1 378.907 3.862 20 0 GHADMP Clc1ncnc2ccc(C[N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cc12 ZINC001235357413 1040836929 /nfs/dbraw/zinc/83/69/29/1040836929.db2.gz APNSGUVCVYXGBG-DENIHFKCSA-N 2 1 378.907 3.862 20 0 GHADMP COc1ccc2c(c1)c(C[NH3+])nn2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137324 1040840911 /nfs/dbraw/zinc/84/09/11/1040840911.db2.gz WPLIMCRECWURCG-BWTSREIZSA-N 2 1 376.504 3.872 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001255142408 1040849779 /nfs/dbraw/zinc/84/97/79/1040849779.db2.gz QJTCVAADZLYLNC-WGHHSJJZSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001255142408 1040849786 /nfs/dbraw/zinc/84/97/86/1040849786.db2.gz QJTCVAADZLYLNC-WGHHSJJZSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001255142408 1040849798 /nfs/dbraw/zinc/84/97/98/1040849798.db2.gz QJTCVAADZLYLNC-WGHHSJJZSA-N 2 1 397.563 3.637 20 0 GHADMP CCc1ncnc2c1CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)CC2 ZINC001255142019 1040849883 /nfs/dbraw/zinc/84/98/83/1040849883.db2.gz YFYCEKHCBYENEW-WKCHPHFGSA-N 2 1 376.548 3.635 20 0 GHADMP CCc1ncnc2c1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255142019 1040849904 /nfs/dbraw/zinc/84/99/04/1040849904.db2.gz YFYCEKHCBYENEW-WKCHPHFGSA-N 2 1 376.548 3.635 20 0 GHADMP O=C([C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144182 1040853225 /nfs/dbraw/zinc/85/32/25/1040853225.db2.gz RCAYURASVNDNJK-LUKWVAJMSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144182 1040853253 /nfs/dbraw/zinc/85/32/53/1040853253.db2.gz RCAYURASVNDNJK-LUKWVAJMSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144182 1040853263 /nfs/dbraw/zinc/85/32/63/1040853263.db2.gz RCAYURASVNDNJK-LUKWVAJMSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144181 1040853984 /nfs/dbraw/zinc/85/39/84/1040853984.db2.gz RCAYURASVNDNJK-GPJHCHHRSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144181 1040853992 /nfs/dbraw/zinc/85/39/92/1040853992.db2.gz RCAYURASVNDNJK-GPJHCHHRSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144181 1040854004 /nfs/dbraw/zinc/85/40/04/1040854004.db2.gz RCAYURASVNDNJK-GPJHCHHRSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@]2(CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255142863 1040855219 /nfs/dbraw/zinc/85/52/19/1040855219.db2.gz KDLRHGDQFNXKBO-NXYDZRKXSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@]2(CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255142863 1040855229 /nfs/dbraw/zinc/85/52/29/1040855229.db2.gz KDLRHGDQFNXKBO-NXYDZRKXSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255142863 1040855237 /nfs/dbraw/zinc/85/52/37/1040855237.db2.gz KDLRHGDQFNXKBO-NXYDZRKXSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255142863 1040855241 /nfs/dbraw/zinc/85/52/41/1040855241.db2.gz KDLRHGDQFNXKBO-NXYDZRKXSA-N 2 1 381.564 3.516 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365594 1040856043 /nfs/dbraw/zinc/85/60/43/1040856043.db2.gz ONIZDRMCBYIBMT-VWNXMTODSA-N 2 1 379.548 3.665 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@H+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001235369380 1040869396 /nfs/dbraw/zinc/86/93/96/1040869396.db2.gz MGNWRWBUUJXTOX-XUZZJYLKSA-N 2 1 378.516 3.601 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001235369380 1040869420 /nfs/dbraw/zinc/86/94/20/1040869420.db2.gz MGNWRWBUUJXTOX-XUZZJYLKSA-N 2 1 378.516 3.601 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235372797 1040879691 /nfs/dbraw/zinc/87/96/91/1040879691.db2.gz VDWHDJGIZWESQI-ISKFKSNPSA-N 3 1 381.539 3.641 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235372797 1040879714 /nfs/dbraw/zinc/87/97/14/1040879714.db2.gz VDWHDJGIZWESQI-ISKFKSNPSA-N 3 1 381.539 3.641 20 0 GHADMP Oc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OCC1CC1 ZINC001235383448 1040903365 /nfs/dbraw/zinc/90/33/65/1040903365.db2.gz PJWYTBZTORBQFX-WIOPSUGQSA-N 2 1 392.543 3.934 20 0 GHADMP Oc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OCC1CC1 ZINC001235383448 1040903379 /nfs/dbraw/zinc/90/33/79/1040903379.db2.gz PJWYTBZTORBQFX-WIOPSUGQSA-N 2 1 392.543 3.934 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001255213978 1040909112 /nfs/dbraw/zinc/90/91/12/1040909112.db2.gz JUUBNZBNGLNACK-JKHIJQBDSA-N 2 1 399.579 3.982 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235401048 1040915114 /nfs/dbraw/zinc/91/51/14/1040915114.db2.gz FWVZCFCOGXBUEL-ROUUACIJSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235401048 1040915115 /nfs/dbraw/zinc/91/51/15/1040915115.db2.gz FWVZCFCOGXBUEL-ROUUACIJSA-N 2 1 378.289 3.521 20 0 GHADMP COc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422627 1040925394 /nfs/dbraw/zinc/92/53/94/1040925394.db2.gz DGSABAYQGYEWDC-ZIAGYGMSSA-N 2 1 385.321 3.808 20 0 GHADMP Clc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429797 1040931464 /nfs/dbraw/zinc/93/14/64/1040931464.db2.gz RMAKSEUUABDQPP-CVEARBPZSA-N 2 1 383.005 3.998 20 0 GHADMP C[NH+](C)CCOc1ccccc1CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389842 1040978151 /nfs/dbraw/zinc/97/81/51/1040978151.db2.gz UOTMKHPZSXYXRX-HSZRJFAPSA-N 2 1 381.564 3.771 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389842 1040978160 /nfs/dbraw/zinc/97/81/60/1040978160.db2.gz UOTMKHPZSXYXRX-HSZRJFAPSA-N 3 1 381.564 3.771 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389842 1040978162 /nfs/dbraw/zinc/97/81/62/1040978162.db2.gz UOTMKHPZSXYXRX-HSZRJFAPSA-N 3 1 381.564 3.771 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CCN(c4ccccn4)CC3)CC2)cc1 ZINC001255390154 1040978291 /nfs/dbraw/zinc/97/82/91/1040978291.db2.gz ZKKUTKCJRNBWMN-HSZRJFAPSA-N 2 1 378.564 3.942 20 0 GHADMP CN(C)C(=O)Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255398161 1040983821 /nfs/dbraw/zinc/98/38/21/1040983821.db2.gz SNWNCYJACZXREZ-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255400161 1040986064 /nfs/dbraw/zinc/98/60/64/1040986064.db2.gz GSFGFZRMAVTSPZ-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255400161 1040986066 /nfs/dbraw/zinc/98/60/66/1040986066.db2.gz GSFGFZRMAVTSPZ-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255400161 1040986069 /nfs/dbraw/zinc/98/60/69/1040986069.db2.gz GSFGFZRMAVTSPZ-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401192 1040987717 /nfs/dbraw/zinc/98/77/17/1040987717.db2.gz ROTPEPDGLWUEKG-RPBOFIJWSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255401192 1040987720 /nfs/dbraw/zinc/98/77/20/1040987720.db2.gz ROTPEPDGLWUEKG-RPBOFIJWSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255401192 1040987723 /nfs/dbraw/zinc/98/77/23/1040987723.db2.gz ROTPEPDGLWUEKG-RPBOFIJWSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255401693 1040988492 /nfs/dbraw/zinc/98/84/92/1040988492.db2.gz WJQKHZBQVNCBNS-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255401693 1040988494 /nfs/dbraw/zinc/98/84/94/1040988494.db2.gz WJQKHZBQVNCBNS-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255401693 1040988497 /nfs/dbraw/zinc/98/84/97/1040988497.db2.gz WJQKHZBQVNCBNS-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@H]21 ZINC001235560349 1040989358 /nfs/dbraw/zinc/98/93/58/1040989358.db2.gz QPXUBSGXFNRUBE-YIFZBPKDSA-N 2 1 395.576 3.939 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@H]21 ZINC001235560349 1040989361 /nfs/dbraw/zinc/98/93/61/1040989361.db2.gz QPXUBSGXFNRUBE-YIFZBPKDSA-N 2 1 395.576 3.939 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3n[nH]c4cc(N)ccc43)C[C@H]21 ZINC001235560349 1040989362 /nfs/dbraw/zinc/98/93/62/1040989362.db2.gz QPXUBSGXFNRUBE-YIFZBPKDSA-N 2 1 395.576 3.939 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3n[nH]c4cc(N)ccc43)C[C@H]21 ZINC001235560349 1040989363 /nfs/dbraw/zinc/98/93/63/1040989363.db2.gz QPXUBSGXFNRUBE-YIFZBPKDSA-N 2 1 395.576 3.939 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255403238 1040990174 /nfs/dbraw/zinc/99/01/74/1040990174.db2.gz BXFTXJHVABAFMR-ISKFKSNPSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403238 1040990176 /nfs/dbraw/zinc/99/01/76/1040990176.db2.gz BXFTXJHVABAFMR-ISKFKSNPSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403238 1040990177 /nfs/dbraw/zinc/99/01/77/1040990177.db2.gz BXFTXJHVABAFMR-ISKFKSNPSA-N 2 1 385.596 3.616 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001235575807 1040994835 /nfs/dbraw/zinc/99/48/35/1040994835.db2.gz QASBJGPONZJVJR-HKUYNNGSSA-N 3 1 397.579 3.917 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255409548 1040998301 /nfs/dbraw/zinc/99/83/01/1040998301.db2.gz HAWZULHNZWVHIP-NHCUHLMSSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255409548 1040998305 /nfs/dbraw/zinc/99/83/05/1040998305.db2.gz HAWZULHNZWVHIP-NHCUHLMSSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255409548 1040998307 /nfs/dbraw/zinc/99/83/07/1040998307.db2.gz HAWZULHNZWVHIP-NHCUHLMSSA-N 2 1 381.520 3.598 20 0 GHADMP C[N@@H+](CCc1nnc([C@H]2CC[NH+](Cc3ccccc3)C2)o1)Cc1ccccc1 ZINC001255426938 1041021438 /nfs/dbraw/zinc/02/14/38/1041021438.db2.gz IGQUCTPQTDXPDB-NRFANRHFSA-N 2 1 376.504 3.734 20 0 GHADMP C[NH+](CCc1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1)Cc1ccccc1 ZINC001255426938 1041021445 /nfs/dbraw/zinc/02/14/45/1041021445.db2.gz IGQUCTPQTDXPDB-NRFANRHFSA-N 2 1 376.504 3.734 20 0 GHADMP C[NH+](CCc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1ccccc1 ZINC001255426938 1041021462 /nfs/dbraw/zinc/02/14/62/1041021462.db2.gz IGQUCTPQTDXPDB-NRFANRHFSA-N 2 1 376.504 3.734 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235645362 1041083271 /nfs/dbraw/zinc/08/32/71/1041083271.db2.gz UTHNWSFQYBMDCB-MBPVOVBZSA-N 2 1 378.507 3.589 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235645362 1041083296 /nfs/dbraw/zinc/08/32/96/1041083296.db2.gz UTHNWSFQYBMDCB-MBPVOVBZSA-N 2 1 378.507 3.589 20 0 GHADMP Cc1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cnc1OC(C)C ZINC001235648858 1041089048 /nfs/dbraw/zinc/08/90/48/1041089048.db2.gz LBCVYEBCPDXNJW-UHFFFAOYSA-N 2 1 397.567 3.812 20 0 GHADMP Cc1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cnc1OC(C)C ZINC001235648858 1041089064 /nfs/dbraw/zinc/08/90/64/1041089064.db2.gz LBCVYEBCPDXNJW-UHFFFAOYSA-N 2 1 397.567 3.812 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255610899 1041168478 /nfs/dbraw/zinc/16/84/78/1041168478.db2.gz IDZFPQIGTCGCLJ-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255610899 1041168484 /nfs/dbraw/zinc/16/84/84/1041168484.db2.gz IDZFPQIGTCGCLJ-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255610899 1041168489 /nfs/dbraw/zinc/16/84/89/1041168489.db2.gz IDZFPQIGTCGCLJ-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP Brc1ccc2[nH]c(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)nc2c1 ZINC001235703074 1041182886 /nfs/dbraw/zinc/18/28/86/1041182886.db2.gz QOLLCDRISAZWGE-UHFFFAOYSA-N 2 1 377.330 3.537 20 0 GHADMP Clc1ccc(CO[C@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001235711268 1041194193 /nfs/dbraw/zinc/19/41/93/1041194193.db2.gz WXAJNHAHDUBTQW-QHCPKHFHSA-N 2 1 399.966 3.931 20 0 GHADMP COCCN(C)[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001255677911 1041210915 /nfs/dbraw/zinc/21/09/15/1041210915.db2.gz ZUYXDLQMLXUAAH-VTHDOGFWSA-N 2 1 379.976 3.564 20 0 GHADMP FC(F)(F)c1ccc2c(c1)C[N@@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001235758392 1041247187 /nfs/dbraw/zinc/24/71/87/1041247187.db2.gz FWMTXRBMPMHNGR-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP FC(F)(F)c1ccc2c(c1)C[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001235758392 1041247193 /nfs/dbraw/zinc/24/71/93/1041247193.db2.gz FWMTXRBMPMHNGR-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP C[N@H+](Cc1cccc(Br)c1F)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235840645 1041368909 /nfs/dbraw/zinc/36/89/09/1041368909.db2.gz RRKYYGNXPUBITL-UHFFFAOYSA-N 2 1 392.316 3.630 20 0 GHADMP C[N@@H+](Cc1cccc(Br)c1F)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235840645 1041368920 /nfs/dbraw/zinc/36/89/20/1041368920.db2.gz RRKYYGNXPUBITL-UHFFFAOYSA-N 2 1 392.316 3.630 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255904518 1041386737 /nfs/dbraw/zinc/38/67/37/1041386737.db2.gz YOPMUBBBSSRQGH-MISYRCLQSA-N 2 1 388.556 3.553 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(OC)cc(Br)cc3OC)(C1)CCC2 ZINC001278897520 1041423464 /nfs/dbraw/zinc/42/34/64/1041423464.db2.gz CKGMFOCSYOJHSW-ZWKOTPCHSA-N 2 1 383.330 3.621 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960020 1041438897 /nfs/dbraw/zinc/43/88/97/1041438897.db2.gz CPOWPHSMDKQJHB-HRAATJIYSA-N 2 1 379.495 3.514 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001255962164 1041441857 /nfs/dbraw/zinc/44/18/57/1041441857.db2.gz HDUGJTCUCAHPPX-ACIOBRDBSA-N 2 1 389.584 3.590 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001255961902 1041442726 /nfs/dbraw/zinc/44/27/26/1041442726.db2.gz YMPCGNKLBRQFSP-GHTZIAJQSA-N 2 1 377.598 3.797 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001235962107 1041468550 /nfs/dbraw/zinc/46/85/50/1041468550.db2.gz IQDBBNLKNXEIBH-OAQYLSRUSA-N 2 1 389.540 3.805 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001235962107 1041468564 /nfs/dbraw/zinc/46/85/64/1041468564.db2.gz IQDBBNLKNXEIBH-OAQYLSRUSA-N 2 1 389.540 3.805 20 0 GHADMP CCOC(=O)CCC(CCC(=O)OCC)[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256000057 1041470377 /nfs/dbraw/zinc/47/03/77/1041470377.db2.gz YQVNEGZGWXGPFU-UAPYVXQJSA-N 2 1 396.572 3.556 20 0 GHADMP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCN(c3ncccn3)CC2)CC1 ZINC001256049668 1041494730 /nfs/dbraw/zinc/49/47/30/1041494730.db2.gz GDNFLHDTVOVMKL-ZYFYDLNSSA-N 2 1 391.563 3.573 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1C(F)(F)F ZINC001236010895 1041503104 /nfs/dbraw/zinc/50/31/04/1041503104.db2.gz VHRKPOMQUXLMAV-XLIONFOSSA-N 2 1 376.422 3.687 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)ccc1C(F)(F)F ZINC001236010895 1041503111 /nfs/dbraw/zinc/50/31/11/1041503111.db2.gz VHRKPOMQUXLMAV-XLIONFOSSA-N 2 1 376.422 3.687 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2cc(C)c(OCc3ccccc3)c(C)c2)CC1 ZINC001236065785 1041518860 /nfs/dbraw/zinc/51/88/60/1041518860.db2.gz ICDQQNJUOJBSMC-QFIPXVFZSA-N 2 1 396.531 3.595 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)c(OCc2ccccc2)cc1C ZINC001236081380 1041526528 /nfs/dbraw/zinc/52/65/28/1041526528.db2.gz DUWCJZREOWOAKU-XMMPIXPASA-N 2 1 393.575 3.737 20 0 GHADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)C2 ZINC001236086581 1041527386 /nfs/dbraw/zinc/52/73/86/1041527386.db2.gz LRCNBBZJBJNKQT-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236091137 1041528181 /nfs/dbraw/zinc/52/81/81/1041528181.db2.gz TWRXPKQLEBZCMA-QHCPKHFHSA-N 2 1 380.532 3.922 20 0 GHADMP CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@@H+](C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236091137 1041528188 /nfs/dbraw/zinc/52/81/88/1041528188.db2.gz TWRXPKQLEBZCMA-QHCPKHFHSA-N 2 1 380.532 3.922 20 0 GHADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001236104405 1041537481 /nfs/dbraw/zinc/53/74/81/1041537481.db2.gz KHKADHRSKOKHSM-RSXGOPAZSA-N 2 1 396.538 3.868 20 0 GHADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001236104405 1041537498 /nfs/dbraw/zinc/53/74/98/1041537498.db2.gz KHKADHRSKOKHSM-RSXGOPAZSA-N 2 1 396.538 3.868 20 0 GHADMP COc1ccc(C[C@H](C)[N@H+](Cc2cnc3n2CC[NH2+]C3)Cc2ccccc2)cc1 ZINC001236106228 1041537880 /nfs/dbraw/zinc/53/78/80/1041537880.db2.gz BQQSSIGSNZTZGM-IBGZPJMESA-N 2 1 390.531 3.628 20 0 GHADMP COc1ccc(C[C@H](C)[N@@H+](Cc2cnc3n2CC[NH2+]C3)Cc2ccccc2)cc1 ZINC001236106228 1041537908 /nfs/dbraw/zinc/53/79/08/1041537908.db2.gz BQQSSIGSNZTZGM-IBGZPJMESA-N 2 1 390.531 3.628 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)c1 ZINC001236305105 1041666701 /nfs/dbraw/zinc/66/67/01/1041666701.db2.gz SQQDJGHNRRFSIY-OAQYLSRUSA-N 2 1 379.548 3.560 20 0 GHADMP [NH3+]Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC001236313870 1041667792 /nfs/dbraw/zinc/66/77/92/1041667792.db2.gz CGMZZMHWWRVARP-VWLOTQADSA-N 2 1 399.538 3.949 20 0 GHADMP CCOC(=O)N1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001256234198 1041668917 /nfs/dbraw/zinc/66/89/17/1041668917.db2.gz BZQRLXLPSBXOHS-IJZHQTRZSA-N 2 1 385.552 3.735 20 0 GHADMP Ic1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)o1 ZINC001236373892 1041685992 /nfs/dbraw/zinc/68/59/92/1041685992.db2.gz MYYIODZENDNBBW-ZDUSSCGKSA-N 2 1 388.293 3.628 20 0 GHADMP COc1ncc(Br)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373856 1041686230 /nfs/dbraw/zinc/68/62/30/1041686230.db2.gz MESJSCLJPPJWCD-AWEZNQCLSA-N 2 1 382.346 3.597 20 0 GHADMP COc1ncc(Br)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373856 1041686232 /nfs/dbraw/zinc/68/62/32/1041686232.db2.gz MESJSCLJPPJWCD-AWEZNQCLSA-N 2 1 382.346 3.597 20 0 GHADMP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1-n1cnc(C)c1 ZINC001236376552 1041687507 /nfs/dbraw/zinc/68/75/07/1041687507.db2.gz SVXVVAAMXLZKQO-FQEVSTJZSA-N 2 1 382.552 3.934 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cncc(Br)c2)CC2CC[NH2+]CC2)cc1 ZINC001236380306 1041690492 /nfs/dbraw/zinc/69/04/92/1041690492.db2.gz FRXRCHQLZSLESY-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP Cc1ccc(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)c2ccccc12 ZINC001236385783 1041693572 /nfs/dbraw/zinc/69/35/72/1041693572.db2.gz HBQGGXVGVCVVGM-UHFFFAOYSA-N 2 1 395.591 3.672 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236388746 1041694418 /nfs/dbraw/zinc/69/44/18/1041694418.db2.gz OJPNGKVLSSHNKI-CUWPLCDZSA-N 2 1 376.516 3.749 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2)[C@H]2CCC[NH2+]C2)CC1 ZINC001236388746 1041694421 /nfs/dbraw/zinc/69/44/21/1041694421.db2.gz OJPNGKVLSSHNKI-CUWPLCDZSA-N 2 1 376.516 3.749 20 0 GHADMP CC[N@H+](Cc1cc(Br)c(Br)s1)C[C@@H]1CC[NH2+]C1 ZINC001236407280 1041703677 /nfs/dbraw/zinc/70/36/77/1041703677.db2.gz CQXPRBLDRHAVJS-SECBINFHSA-N 2 1 382.165 3.705 20 0 GHADMP CC[N@@H+](Cc1cc(Br)c(Br)s1)C[C@@H]1CC[NH2+]C1 ZINC001236407280 1041703674 /nfs/dbraw/zinc/70/36/74/1041703674.db2.gz CQXPRBLDRHAVJS-SECBINFHSA-N 2 1 382.165 3.705 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(O)c(OCC3CC3)c2)C2CC[NH2+]CC2)cc1 ZINC001236445670 1041715965 /nfs/dbraw/zinc/71/59/65/1041715965.db2.gz BFRBGLWVTSZLNW-UHFFFAOYSA-N 2 1 396.531 3.944 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(O)c(OCC3CC3)c2)C2CC[NH2+]CC2)cc1 ZINC001236445670 1041715969 /nfs/dbraw/zinc/71/59/69/1041715969.db2.gz BFRBGLWVTSZLNW-UHFFFAOYSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc(SC)cc2)C2CC[NH2+]CC2)c1 ZINC001236465157 1041726924 /nfs/dbraw/zinc/72/69/24/1041726924.db2.gz OGOYBDTUHYLSCH-UHFFFAOYSA-N 2 1 384.545 3.949 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc(SC)cc2)C2CC[NH2+]CC2)c1 ZINC001236465157 1041726930 /nfs/dbraw/zinc/72/69/30/1041726930.db2.gz OGOYBDTUHYLSCH-UHFFFAOYSA-N 2 1 384.545 3.949 20 0 GHADMP CCOC1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001256438839 1041732544 /nfs/dbraw/zinc/73/25/44/1041732544.db2.gz GVZLTURMUAKGDT-GPJFCIFZSA-N 2 1 376.541 3.683 20 0 GHADMP COc1ccc(C[N@H+](Cc2cccc(-n3ccnc3)c2)C2CC[NH2+]CC2)cc1F ZINC001236517793 1041750448 /nfs/dbraw/zinc/75/04/48/1041750448.db2.gz XKZXMBVZWOIARW-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc(-n3ccnc3)c2)C2CC[NH2+]CC2)cc1F ZINC001236517793 1041750452 /nfs/dbraw/zinc/75/04/52/1041750452.db2.gz XKZXMBVZWOIARW-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP COc1ccc(C[N@@H+](Cc2nc3cc(F)ccc3[nH]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544455 1041757430 /nfs/dbraw/zinc/75/74/30/1041757430.db2.gz DBKHOZOBSNCZQG-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236553068 1041759312 /nfs/dbraw/zinc/75/93/12/1041759312.db2.gz WGTIMULJGHXVOE-KSTPKZIDSA-N 2 1 378.463 3.633 20 0 GHADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001236583096 1041767705 /nfs/dbraw/zinc/76/77/05/1041767705.db2.gz LWSZCXJUOYBSPO-HSZRJFAPSA-N 2 1 388.559 3.841 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236583096 1041767708 /nfs/dbraw/zinc/76/77/08/1041767708.db2.gz LWSZCXJUOYBSPO-HSZRJFAPSA-N 2 1 388.559 3.841 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236583096 1041767710 /nfs/dbraw/zinc/76/77/10/1041767710.db2.gz LWSZCXJUOYBSPO-HSZRJFAPSA-N 2 1 388.559 3.841 20 0 GHADMP c1cc2cccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)c2o1 ZINC001236732893 1041864490 /nfs/dbraw/zinc/86/44/90/1041864490.db2.gz OPMYNDACROFKKV-IFMALSPDSA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2cccc(C[NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2o1 ZINC001236732893 1041864498 /nfs/dbraw/zinc/86/44/98/1041864498.db2.gz OPMYNDACROFKKV-IFMALSPDSA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2cccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2o1 ZINC001236732893 1041864506 /nfs/dbraw/zinc/86/45/06/1041864506.db2.gz OPMYNDACROFKKV-IFMALSPDSA-N 2 1 377.488 3.551 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(Cc4ccc(Cl)nc4)c4ccccc34)C[C@H]12 ZINC001236820925 1041916032 /nfs/dbraw/zinc/91/60/32/1041916032.db2.gz SHNDRCGQDOETTN-LSTHTHJFSA-N 2 1 380.923 3.907 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cccc(-n3cncn3)c1)CC2 ZINC001236880921 1041939218 /nfs/dbraw/zinc/93/92/18/1041939218.db2.gz QQDRKIJJDZLBGN-JOCHJYFZSA-N 2 1 391.519 3.737 20 0 GHADMP Cc1ccc(OC2CC[NH+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CC2)cc1 ZINC001236962936 1041971489 /nfs/dbraw/zinc/97/14/89/1041971489.db2.gz FKIYPLFXABWWCC-UHFFFAOYSA-N 2 1 397.538 3.929 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC(F)F)ccc1Br ZINC001237080692 1042026952 /nfs/dbraw/zinc/02/69/52/1042026952.db2.gz BRJKAOLHBUNFJA-VGPLMAKISA-N 2 1 375.257 3.752 20 0 GHADMP CC(C)[N@H+](Cc1ccc(Br)cc1N1CC[NH+](C)CC1)CC1CC1 ZINC001237096949 1042033670 /nfs/dbraw/zinc/03/36/70/1042033670.db2.gz SGFXJBSGAYAXIZ-UHFFFAOYSA-N 2 1 380.374 3.821 20 0 GHADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccc(CN4CCOCC4)cc3)CC[C@H]1N2 ZINC001237237842 1042101198 /nfs/dbraw/zinc/10/11/98/1042101198.db2.gz YADRIEURRQJZNY-JTHBVZDNSA-N 2 1 397.950 3.956 20 0 GHADMP Clc1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC[C@H]1N2 ZINC001237237842 1042101202 /nfs/dbraw/zinc/10/12/02/1042101202.db2.gz YADRIEURRQJZNY-JTHBVZDNSA-N 2 1 397.950 3.956 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@@H]3C2)cc1 ZINC001237274957 1042118757 /nfs/dbraw/zinc/11/87/57/1042118757.db2.gz HYSDMBANOUFKRF-DNQXCXABSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@@H]3C2)cc1 ZINC001237274957 1042118762 /nfs/dbraw/zinc/11/87/62/1042118762.db2.gz HYSDMBANOUFKRF-DNQXCXABSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@@H]3C2)cc1 ZINC001237274957 1042118766 /nfs/dbraw/zinc/11/87/66/1042118766.db2.gz HYSDMBANOUFKRF-DNQXCXABSA-N 3 1 375.560 3.676 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237304545 1042135006 /nfs/dbraw/zinc/13/50/06/1042135006.db2.gz KHBQRGRKERCKNV-UHFFFAOYSA-N 2 1 378.516 3.890 20 0 GHADMP CCOC(=O)c1ccc(CCC[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237304545 1042135011 /nfs/dbraw/zinc/13/50/11/1042135011.db2.gz KHBQRGRKERCKNV-UHFFFAOYSA-N 2 1 378.516 3.890 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)ccc2[nH]1 ZINC001237311246 1042139454 /nfs/dbraw/zinc/13/94/54/1042139454.db2.gz QMHPZXJFJXHYBA-NHCUHLMSSA-N 2 1 389.499 3.518 20 0 GHADMP Fc1cc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)ccc1OC(F)F ZINC001237354054 1042164566 /nfs/dbraw/zinc/16/45/66/1042164566.db2.gz PFCUQBDAUOIYCE-MSOLQXFVSA-N 2 1 391.437 3.776 20 0 GHADMP Fc1cc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)ccc1OC(F)F ZINC001237354054 1042164570 /nfs/dbraw/zinc/16/45/70/1042164570.db2.gz PFCUQBDAUOIYCE-MSOLQXFVSA-N 2 1 391.437 3.776 20 0 GHADMP Fc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1OC(F)F ZINC001237354054 1042164579 /nfs/dbraw/zinc/16/45/79/1042164579.db2.gz PFCUQBDAUOIYCE-MSOLQXFVSA-N 2 1 391.437 3.776 20 0 GHADMP Fc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1OC(F)F ZINC001237354054 1042164583 /nfs/dbraw/zinc/16/45/83/1042164583.db2.gz PFCUQBDAUOIYCE-MSOLQXFVSA-N 2 1 391.437 3.776 20 0 GHADMP Fc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccc1OC(F)F ZINC001237354054 1042164588 /nfs/dbraw/zinc/16/45/88/1042164588.db2.gz PFCUQBDAUOIYCE-MSOLQXFVSA-N 2 1 391.437 3.776 20 0 GHADMP Fc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccc1OC(F)F ZINC001237354054 1042164594 /nfs/dbraw/zinc/16/45/94/1042164594.db2.gz PFCUQBDAUOIYCE-MSOLQXFVSA-N 2 1 391.437 3.776 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001237409349 1042195271 /nfs/dbraw/zinc/19/52/71/1042195271.db2.gz GQRIAIZHOAEDIW-UHFFFAOYSA-N 2 1 378.520 3.528 20 0 GHADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001237410249 1042196015 /nfs/dbraw/zinc/19/60/15/1042196015.db2.gz KPJNOLPGRCNOIO-QFIPXVFZSA-N 2 1 393.531 3.610 20 0 GHADMP COC(=O)c1ccc(C[N@H+](Cc2ccc3n2CC[NH2+]C3)Cc2ccccc2)cc1 ZINC001237411049 1042196202 /nfs/dbraw/zinc/19/62/02/1042196202.db2.gz NGIWDYXDIQNOIL-UHFFFAOYSA-N 2 1 389.499 3.580 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccc3n2CC[NH2+]C3)Cc2ccccc2)cc1 ZINC001237411049 1042196205 /nfs/dbraw/zinc/19/62/05/1042196205.db2.gz NGIWDYXDIQNOIL-UHFFFAOYSA-N 2 1 389.499 3.580 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)CCC12C[NH2+]C2 ZINC001237431825 1042205111 /nfs/dbraw/zinc/20/51/11/1042205111.db2.gz UXZRGZNHAJMAHY-IBGZPJMESA-N 2 1 378.472 3.561 20 0 GHADMP Clc1ccc(CCC[N@H+]2CC[C@H]3CN(CCn4ccnc4)C[C@H]32)cc1Cl ZINC001278123882 1042294121 /nfs/dbraw/zinc/29/41/21/1042294121.db2.gz ZZCOVUFBIPONMY-FXAWDEMLSA-N 2 1 393.362 3.829 20 0 GHADMP Clc1ccc(CCCN2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]32)cc1Cl ZINC001278123882 1042294126 /nfs/dbraw/zinc/29/41/26/1042294126.db2.gz ZZCOVUFBIPONMY-FXAWDEMLSA-N 2 1 393.362 3.829 20 0 GHADMP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)ccc1F ZINC001237816863 1042384366 /nfs/dbraw/zinc/38/43/66/1042384366.db2.gz WFADXDBXTNQDDE-GOSISDBHSA-N 2 1 389.540 3.846 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4[C@@H](C3)[C@@H]4NC(=O)OC(C)(C)C)cc21 ZINC001237876548 1042405469 /nfs/dbraw/zinc/40/54/69/1042405469.db2.gz GRAJLRLZRPGLDE-KXTWHKPSSA-N 2 1 383.536 3.643 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)C2 ZINC001237881974 1042408234 /nfs/dbraw/zinc/40/82/34/1042408234.db2.gz NWZYDDUOCSSCBL-XMMPIXPASA-N 2 1 381.564 3.911 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC[NH+](Cc2ccccc2)C1 ZINC001462616315 1070415966 /nfs/dbraw/zinc/41/59/66/1070415966.db2.gz JBSGXWXLCBWREN-ZTCOLXNVSA-N 2 1 383.580 3.512 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001462616315 1070415987 /nfs/dbraw/zinc/41/59/87/1070415987.db2.gz JBSGXWXLCBWREN-ZTCOLXNVSA-N 2 1 383.580 3.512 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462616315 1070415989 /nfs/dbraw/zinc/41/59/89/1070415989.db2.gz JBSGXWXLCBWREN-ZTCOLXNVSA-N 2 1 383.580 3.512 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC[NH+](Cc2ccccc2)C1 ZINC001462616313 1070416308 /nfs/dbraw/zinc/41/63/08/1070416308.db2.gz JBSGXWXLCBWREN-OYDLWJJNSA-N 2 1 383.580 3.512 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001462616313 1070416310 /nfs/dbraw/zinc/41/63/10/1070416310.db2.gz JBSGXWXLCBWREN-OYDLWJJNSA-N 2 1 383.580 3.512 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462616313 1070416315 /nfs/dbraw/zinc/41/63/15/1070416315.db2.gz JBSGXWXLCBWREN-OYDLWJJNSA-N 2 1 383.580 3.512 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1OCc1ccccc1 ZINC001238344763 1042563383 /nfs/dbraw/zinc/56/33/83/1042563383.db2.gz YDUZYVRXMIMNQH-XZOQPEGZSA-N 2 1 397.538 3.615 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(Cl)cncc2Br)CC1 ZINC001238390478 1042581335 /nfs/dbraw/zinc/58/13/35/1042581335.db2.gz HCKXGFMGUXZPDV-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc(C)c1OC(C)C ZINC001238754027 1042714036 /nfs/dbraw/zinc/71/40/36/1042714036.db2.gz ZFGUSTODZMPOHG-PKTZIBPZSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc(C)c1OC(C)C ZINC001238754027 1042714044 /nfs/dbraw/zinc/71/40/44/1042714044.db2.gz ZFGUSTODZMPOHG-PKTZIBPZSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(C)c1OC(C)C ZINC001238754027 1042714051 /nfs/dbraw/zinc/71/40/51/1042714051.db2.gz ZFGUSTODZMPOHG-PKTZIBPZSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc(C)c1OC(C)C ZINC001238754027 1042714055 /nfs/dbraw/zinc/71/40/55/1042714055.db2.gz ZFGUSTODZMPOHG-PKTZIBPZSA-N 2 1 396.579 3.778 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-c2ccnc(N3CC[NH+](C)CC3)c2)nc1 ZINC001238820144 1042738359 /nfs/dbraw/zinc/73/83/59/1042738359.db2.gz YEPTZLMUXDBZNH-QFIPXVFZSA-N 2 1 379.552 3.832 20 0 GHADMP c1ccc(C[N@@H+]2CCc3c(ccnc3-c3cccc(CN4CC[NH2+]CC4)c3)C2)cc1 ZINC001240227249 1042909838 /nfs/dbraw/zinc/90/98/38/1042909838.db2.gz WJKLNVHYTBPJKC-UHFFFAOYSA-N 2 1 398.554 3.712 20 0 GHADMP C[NH+]1CCN(Cc2cccc(-c3ccc(SC4CC[NH2+]CC4)cc3)c2)CC1 ZINC001240306097 1042920376 /nfs/dbraw/zinc/92/03/76/1042920376.db2.gz SQMPDFVUNUEEJZ-UHFFFAOYSA-N 2 1 381.589 3.945 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(F)CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522526 1043447947 /nfs/dbraw/zinc/44/79/47/1043447947.db2.gz KXDZWUIMXQVJFX-PKOBYXMFSA-N 2 1 391.531 3.588 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(F)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256522526 1043447954 /nfs/dbraw/zinc/44/79/54/1043447954.db2.gz KXDZWUIMXQVJFX-PKOBYXMFSA-N 2 1 391.531 3.588 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256523467 1043451062 /nfs/dbraw/zinc/45/10/62/1043451062.db2.gz OUOINQIAKBHMRA-QUCCMNQESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256523467 1043451094 /nfs/dbraw/zinc/45/10/94/1043451094.db2.gz OUOINQIAKBHMRA-QUCCMNQESA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001256527957 1043455447 /nfs/dbraw/zinc/45/54/47/1043455447.db2.gz BRQQUCOUPWTDHU-WTIAFYNJSA-N 2 1 380.532 3.976 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC001256527957 1043455454 /nfs/dbraw/zinc/45/54/54/1043455454.db2.gz BRQQUCOUPWTDHU-WTIAFYNJSA-N 2 1 380.532 3.976 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256529953 1043460979 /nfs/dbraw/zinc/46/09/79/1043460979.db2.gz ZGYHDVBQWGJCJC-BKULYWANSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256529953 1043460990 /nfs/dbraw/zinc/46/09/90/1043460990.db2.gz ZGYHDVBQWGJCJC-BKULYWANSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256531010 1043463193 /nfs/dbraw/zinc/46/31/93/1043463193.db2.gz GLKGMCRBQJVASB-VJBMBRPKSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256531010 1043463212 /nfs/dbraw/zinc/46/32/12/1043463212.db2.gz GLKGMCRBQJVASB-VJBMBRPKSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538516 1043487847 /nfs/dbraw/zinc/48/78/47/1043487847.db2.gz UAQXJQCOAHEIFI-FDTGPBLFSA-N 2 1 383.580 3.857 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538516 1043487857 /nfs/dbraw/zinc/48/78/57/1043487857.db2.gz UAQXJQCOAHEIFI-FDTGPBLFSA-N 2 1 383.580 3.857 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541681 1043493425 /nfs/dbraw/zinc/49/34/25/1043493425.db2.gz MPBPBUFEFCPZIU-FPOVZHCZSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541681 1043493438 /nfs/dbraw/zinc/49/34/38/1043493438.db2.gz MPBPBUFEFCPZIU-FPOVZHCZSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541681 1043493453 /nfs/dbraw/zinc/49/34/53/1043493453.db2.gz MPBPBUFEFCPZIU-FPOVZHCZSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541681 1043493474 /nfs/dbraw/zinc/49/34/74/1043493474.db2.gz MPBPBUFEFCPZIU-FPOVZHCZSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256544626 1043499162 /nfs/dbraw/zinc/49/91/62/1043499162.db2.gz ZTLYGGJZHXSUHM-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256544626 1043499183 /nfs/dbraw/zinc/49/91/83/1043499183.db2.gz ZTLYGGJZHXSUHM-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256544626 1043499193 /nfs/dbraw/zinc/49/91/93/1043499193.db2.gz ZTLYGGJZHXSUHM-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256544626 1043499207 /nfs/dbraw/zinc/49/92/07/1043499207.db2.gz ZTLYGGJZHXSUHM-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C[NH+]1CCCCC1 ZINC001291849163 1043500183 /nfs/dbraw/zinc/50/01/83/1043500183.db2.gz CUEXBVGHBNEMFE-UNMCSNQZSA-N 2 1 383.580 3.527 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256548152 1043509653 /nfs/dbraw/zinc/50/96/53/1043509653.db2.gz XDHQELIAIRPQCV-NKKJXINNSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256548152 1043509661 /nfs/dbraw/zinc/50/96/61/1043509661.db2.gz XDHQELIAIRPQCV-NKKJXINNSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256548152 1043509675 /nfs/dbraw/zinc/50/96/75/1043509675.db2.gz XDHQELIAIRPQCV-NKKJXINNSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256548152 1043509682 /nfs/dbraw/zinc/50/96/82/1043509682.db2.gz XDHQELIAIRPQCV-NKKJXINNSA-N 2 1 383.580 3.907 20 0 GHADMP COc1cccnc1N(C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256553117 1043517928 /nfs/dbraw/zinc/51/79/28/1043517928.db2.gz DYRXVKWJOZXAMR-DENIHFKCSA-N 2 1 394.563 3.702 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552734 1043518726 /nfs/dbraw/zinc/51/87/26/1043518726.db2.gz DONUZIVQGLTCNK-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552734 1043518733 /nfs/dbraw/zinc/51/87/33/1043518733.db2.gz DONUZIVQGLTCNK-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256555432 1043524931 /nfs/dbraw/zinc/52/49/31/1043524931.db2.gz UYPGUKYREQWDEF-VDVKDMFPSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256555432 1043524941 /nfs/dbraw/zinc/52/49/41/1043524941.db2.gz UYPGUKYREQWDEF-VDVKDMFPSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555432 1043524946 /nfs/dbraw/zinc/52/49/46/1043524946.db2.gz UYPGUKYREQWDEF-VDVKDMFPSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555432 1043524953 /nfs/dbraw/zinc/52/49/53/1043524953.db2.gz UYPGUKYREQWDEF-VDVKDMFPSA-N 2 1 375.560 3.998 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC1 ZINC001256566936 1043541149 /nfs/dbraw/zinc/54/11/49/1043541149.db2.gz OIAMHLWPRNUMIC-UHFFFAOYSA-N 2 1 381.499 3.888 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC001256578755 1043551208 /nfs/dbraw/zinc/55/12/08/1043551208.db2.gz ZBGGMLXFZHQESS-QHCPKHFHSA-N 2 1 378.564 3.548 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256584062 1043553875 /nfs/dbraw/zinc/55/38/75/1043553875.db2.gz DJZHVRNOTATLKK-YHBQERECSA-N 2 1 396.554 3.957 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1C1CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001256613598 1043576909 /nfs/dbraw/zinc/57/69/09/1043576909.db2.gz QDGZNUBXVOHKHV-OAQYLSRUSA-N 2 1 387.568 3.982 20 0 GHADMP C[C@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001256613473 1043577785 /nfs/dbraw/zinc/57/77/85/1043577785.db2.gz NQLLGLBSSLIJCV-IBGZPJMESA-N 2 1 387.568 3.982 20 0 GHADMP C[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CCCN1C(=O)OC(C)(C)C ZINC001256613473 1043577795 /nfs/dbraw/zinc/57/77/95/1043577795.db2.gz NQLLGLBSSLIJCV-IBGZPJMESA-N 2 1 387.568 3.982 20 0 GHADMP C[C@@]1(c2ccc(Cl)cc2)C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256695869 1043627690 /nfs/dbraw/zinc/62/76/90/1043627690.db2.gz QSUIKXUXCCHLGR-CBNMVNINSA-N 2 1 378.944 3.531 20 0 GHADMP C[C@H](Cc1ccncc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001256742982 1043644755 /nfs/dbraw/zinc/64/47/55/1043644755.db2.gz QMHUMYUFPSIUFC-UYAOXDASSA-N 2 1 385.577 3.830 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256856097 1043705391 /nfs/dbraw/zinc/70/53/91/1043705391.db2.gz ACQMBLGYGUASQZ-JOCHJYFZSA-N 2 1 386.540 3.526 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256864197 1043709466 /nfs/dbraw/zinc/70/94/66/1043709466.db2.gz GODOYJZSIYCOMV-QFIPXVFZSA-N 2 1 393.531 3.819 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256864197 1043709476 /nfs/dbraw/zinc/70/94/76/1043709476.db2.gz GODOYJZSIYCOMV-QFIPXVFZSA-N 2 1 393.531 3.819 20 0 GHADMP CC[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256862997 1043709538 /nfs/dbraw/zinc/70/95/38/1043709538.db2.gz UMKPZOSDDWPYRI-FQEVSTJZSA-N 2 1 388.556 3.772 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865275 1043710435 /nfs/dbraw/zinc/71/04/35/1043710435.db2.gz VVEGVLVMXZMLNB-NRFANRHFSA-N 2 1 391.519 3.563 20 0 GHADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001292800332 1043882987 /nfs/dbraw/zinc/88/29/87/1043882987.db2.gz XKAGOVHZWJOBMA-PKTZIBPZSA-N 2 1 397.538 3.580 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001257214758 1043939114 /nfs/dbraw/zinc/93/91/14/1043939114.db2.gz LJVUZCNXSXBMKM-RXVVDRJESA-N 2 1 383.552 3.530 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001257214758 1043939117 /nfs/dbraw/zinc/93/91/17/1043939117.db2.gz LJVUZCNXSXBMKM-RXVVDRJESA-N 2 1 383.552 3.530 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](C4CCN(C(C)C)CC4)C[C@H]2C3)c1 ZINC001257217299 1043940008 /nfs/dbraw/zinc/94/00/08/1043940008.db2.gz LWMYZIHSHQWNMI-NQIIRXRSSA-N 2 1 394.563 3.540 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](C4CC[NH+](C(C)C)CC4)C[C@H]2C3)c1 ZINC001257217299 1043940010 /nfs/dbraw/zinc/94/00/10/1043940010.db2.gz LWMYZIHSHQWNMI-NQIIRXRSSA-N 2 1 394.563 3.540 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](C4CC[NH+](C(C)C)CC4)C[C@H]2C3)c1 ZINC001257217299 1043940014 /nfs/dbraw/zinc/94/00/14/1043940014.db2.gz LWMYZIHSHQWNMI-NQIIRXRSSA-N 2 1 394.563 3.540 20 0 GHADMP COCCC[N@@H+](C1CCN(C(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001257218666 1043940275 /nfs/dbraw/zinc/94/02/75/1043940275.db2.gz VXLBFZSMSJDOQU-FQEVSTJZSA-N 2 1 397.604 3.597 20 0 GHADMP COCCC[N@H+](C1CC[NH+](C(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001257218666 1043940277 /nfs/dbraw/zinc/94/02/77/1043940277.db2.gz VXLBFZSMSJDOQU-FQEVSTJZSA-N 2 1 397.604 3.597 20 0 GHADMP COCCC[N@@H+](C1CC[NH+](C(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001257218666 1043940283 /nfs/dbraw/zinc/94/02/83/1043940283.db2.gz VXLBFZSMSJDOQU-FQEVSTJZSA-N 2 1 397.604 3.597 20 0 GHADMP CCCCOC(=O)CC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001257381708 1043976329 /nfs/dbraw/zinc/97/63/29/1043976329.db2.gz SEFYYQZPFZQYQK-LJQANCHMSA-N 2 1 390.568 3.804 20 0 GHADMP c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C2CCCCC2)C3)nc1 ZINC001257457983 1044004057 /nfs/dbraw/zinc/00/40/57/1044004057.db2.gz OYNGROLMNJHFNX-ZJSXRUAMSA-N 2 1 383.580 3.965 20 0 GHADMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C2CCCCC2)C3)nc1 ZINC001257457983 1044004068 /nfs/dbraw/zinc/00/40/68/1044004068.db2.gz OYNGROLMNJHFNX-ZJSXRUAMSA-N 2 1 383.580 3.965 20 0 GHADMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C2CCCCC2)C3)nc1 ZINC001257457983 1044004079 /nfs/dbraw/zinc/00/40/79/1044004079.db2.gz OYNGROLMNJHFNX-ZJSXRUAMSA-N 2 1 383.580 3.965 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001257772165 1044163512 /nfs/dbraw/zinc/16/35/12/1044163512.db2.gz SGRJIBVXULSEQE-CQBQZOKZSA-N 2 1 391.600 3.830 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001257772165 1044163514 /nfs/dbraw/zinc/16/35/14/1044163514.db2.gz SGRJIBVXULSEQE-CQBQZOKZSA-N 2 1 391.600 3.830 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC4(CCCN(C(=O)OC(C)(C)C)C4)CC3)C[C@@H]2C1 ZINC001257772165 1044163521 /nfs/dbraw/zinc/16/35/21/1044163521.db2.gz SGRJIBVXULSEQE-CQBQZOKZSA-N 2 1 391.600 3.830 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001258011955 1044337404 /nfs/dbraw/zinc/33/74/04/1044337404.db2.gz OKSCRMCYJUPNOB-QFIPXVFZSA-N 2 1 389.609 3.797 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)CC1 ZINC001258012176 1044339301 /nfs/dbraw/zinc/33/93/01/1044339301.db2.gz PYTIYKPZAFWRGN-OAQYLSRUSA-N 2 1 392.538 3.740 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)CC1 ZINC001258012176 1044339315 /nfs/dbraw/zinc/33/93/15/1044339315.db2.gz PYTIYKPZAFWRGN-OAQYLSRUSA-N 2 1 392.538 3.740 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)CC1 ZINC001258013684 1044340305 /nfs/dbraw/zinc/34/03/05/1044340305.db2.gz WWZITTLQQAYHGK-YUXAGFNASA-N 2 1 386.584 3.872 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)CC1 ZINC001258013684 1044340315 /nfs/dbraw/zinc/34/03/15/1044340315.db2.gz WWZITTLQQAYHGK-YUXAGFNASA-N 2 1 386.584 3.872 20 0 GHADMP COc1ccc(CC[N@H+](C[C@H](C)O)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258141048 1044427242 /nfs/dbraw/zinc/42/72/42/1044427242.db2.gz RVFZTGZVBPNQEG-NRFANRHFSA-N 2 1 396.575 3.628 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258141048 1044427248 /nfs/dbraw/zinc/42/72/48/1044427248.db2.gz RVFZTGZVBPNQEG-NRFANRHFSA-N 2 1 396.575 3.628 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3C[C@@H]4C[C@H]3C[N@H+]4Cc3ccccc3)CC2)cc1 ZINC001258142804 1044428831 /nfs/dbraw/zinc/42/88/31/1044428831.db2.gz BNXSKMPNGIJWMR-DQEYMECFSA-N 2 1 375.560 3.652 20 0 GHADMP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1OC ZINC001258147148 1044437086 /nfs/dbraw/zinc/43/70/86/1044437086.db2.gz HFUKEUGQDSYRTR-UHFFFAOYSA-N 2 1 398.547 3.851 20 0 GHADMP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1OC ZINC001258147148 1044437091 /nfs/dbraw/zinc/43/70/91/1044437091.db2.gz HFUKEUGQDSYRTR-UHFFFAOYSA-N 2 1 398.547 3.851 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001258149286 1044439727 /nfs/dbraw/zinc/43/97/27/1044439727.db2.gz HYPRODJVDQXKEP-DNQXCXABSA-N 2 1 392.543 3.582 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001258149286 1044439733 /nfs/dbraw/zinc/43/97/33/1044439733.db2.gz HYPRODJVDQXKEP-DNQXCXABSA-N 2 1 392.543 3.582 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@@H](C)Cc4ccco4)CC3)C2)c1 ZINC001258187481 1044459270 /nfs/dbraw/zinc/45/92/70/1044459270.db2.gz GINJCWWQECOARD-IBGZPJMESA-N 2 1 384.520 3.586 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@@H](C)Cc4ccco4)CC3)C2)c1 ZINC001258187481 1044459279 /nfs/dbraw/zinc/45/92/79/1044459279.db2.gz GINJCWWQECOARD-IBGZPJMESA-N 2 1 384.520 3.586 20 0 GHADMP COc1cccc(C2([NH3+])CC[NH+](C3CCN(c4cccc(F)c4)CC3)CC2)c1 ZINC001258417941 1044550865 /nfs/dbraw/zinc/55/08/65/1044550865.db2.gz XSOPZDZUUQFZLW-UHFFFAOYSA-N 2 1 383.511 3.753 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258594638 1044664141 /nfs/dbraw/zinc/66/41/41/1044664141.db2.gz VCHWQMFRFIZYTB-OAQYLSRUSA-N 2 1 392.547 3.530 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697941 1044720799 /nfs/dbraw/zinc/72/07/99/1044720799.db2.gz UITOFGALDAXVFH-KVEDYDLGSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697941 1044720817 /nfs/dbraw/zinc/72/08/17/1044720817.db2.gz UITOFGALDAXVFH-KVEDYDLGSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697941 1044720837 /nfs/dbraw/zinc/72/08/37/1044720837.db2.gz UITOFGALDAXVFH-KVEDYDLGSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697941 1044720854 /nfs/dbraw/zinc/72/08/54/1044720854.db2.gz UITOFGALDAXVFH-KVEDYDLGSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001294613855 1044728671 /nfs/dbraw/zinc/72/86/71/1044728671.db2.gz AQGOHUPDNQSTLB-HXUWFJFHSA-N 2 1 385.596 3.907 20 0 GHADMP CCC[NH+]1CCC(N2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)CC1 ZINC001258775063 1044759814 /nfs/dbraw/zinc/75/98/14/1044759814.db2.gz YJWVXBKDVWBVOD-UHFFFAOYSA-N 2 1 385.596 3.858 20 0 GHADMP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC001258856130 1044795728 /nfs/dbraw/zinc/79/57/28/1044795728.db2.gz WAIJEFBKFFCYJY-ICSRJNTNSA-N 2 1 398.547 3.755 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001258863571 1044803705 /nfs/dbraw/zinc/80/37/05/1044803705.db2.gz JOKNGAWYLIGEPH-IEZWGBDMSA-N 2 1 376.541 3.768 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001258863351 1044803927 /nfs/dbraw/zinc/80/39/27/1044803927.db2.gz HLHRYIFZVAUTQW-ATZDWAIDSA-N 2 1 376.541 3.625 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001258910215 1044863923 /nfs/dbraw/zinc/86/39/23/1044863923.db2.gz OKIKYDZWYBXXMQ-WMZHIEFXSA-N 2 1 389.559 3.761 20 0 GHADMP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065641 1045242009 /nfs/dbraw/zinc/24/20/09/1045242009.db2.gz MUMLCESWRGMAGQ-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065641 1045242020 /nfs/dbraw/zinc/24/20/20/1045242020.db2.gz MUMLCESWRGMAGQ-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065641 1045242028 /nfs/dbraw/zinc/24/20/28/1045242028.db2.gz MUMLCESWRGMAGQ-JTHBVZDNSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H](c1ccccc1)n1cnn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001262482956 1046260436 /nfs/dbraw/zinc/26/04/36/1046260436.db2.gz QXALDWNRSFHUGK-BTHPGYMESA-N 2 1 385.581 3.643 20 0 GHADMP C[C@H](c1ccccc1)n1cnn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1=S ZINC001262482956 1046260445 /nfs/dbraw/zinc/26/04/45/1046260445.db2.gz QXALDWNRSFHUGK-BTHPGYMESA-N 2 1 385.581 3.643 20 0 GHADMP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)C[NH+](C)Cc1ccccc1 ZINC001302848803 1047139912 /nfs/dbraw/zinc/13/99/12/1047139912.db2.gz CLLLSNRWRATTAQ-HSZRJFAPSA-N 2 1 379.548 3.632 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C[NH+](C)Cc1ccccc1 ZINC001302848803 1047139917 /nfs/dbraw/zinc/13/99/17/1047139917.db2.gz CLLLSNRWRATTAQ-HSZRJFAPSA-N 2 1 379.548 3.632 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001302848803 1047139923 /nfs/dbraw/zinc/13/99/23/1047139923.db2.gz CLLLSNRWRATTAQ-HSZRJFAPSA-N 2 1 379.548 3.632 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001302848803 1047139929 /nfs/dbraw/zinc/13/99/29/1047139929.db2.gz CLLLSNRWRATTAQ-HSZRJFAPSA-N 2 1 379.548 3.632 20 0 GHADMP C[NH+](C)CC1(C(=O)N[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC001304218932 1047618332 /nfs/dbraw/zinc/61/83/32/1047618332.db2.gz SYMSYIHGTGTOHF-LADGPHEKSA-N 2 1 391.559 3.503 20 0 GHADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001279142365 1047729270 /nfs/dbraw/zinc/72/92/70/1047729270.db2.gz CODDCESRWSLSQA-HDICACEKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001279142365 1047729275 /nfs/dbraw/zinc/72/92/75/1047729275.db2.gz CODDCESRWSLSQA-HDICACEKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001279142365 1047729277 /nfs/dbraw/zinc/72/92/77/1047729277.db2.gz CODDCESRWSLSQA-HDICACEKSA-N 2 1 389.341 3.516 20 0 GHADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(Br)cc3)C2)C1 ZINC001279143684 1047729972 /nfs/dbraw/zinc/72/99/72/1047729972.db2.gz WJOBZMQYUKDFPQ-FQEVSTJZSA-N 2 1 394.401 3.689 20 0 GHADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(Br)cc3)C2)C1 ZINC001279143684 1047729973 /nfs/dbraw/zinc/72/99/73/1047729973.db2.gz WJOBZMQYUKDFPQ-FQEVSTJZSA-N 2 1 394.401 3.689 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(-c3ccsc3)cs1)C2 ZINC001279342105 1047774451 /nfs/dbraw/zinc/77/44/51/1047774451.db2.gz VKCGJTZNEOLGNB-UHFFFAOYSA-N 2 1 375.607 3.936 20 0 GHADMP Clc1cncc(Cl)c1C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279391064 1047790990 /nfs/dbraw/zinc/79/09/90/1047790990.db2.gz SOZYMQPYNLMLLZ-UHFFFAOYSA-N 2 1 394.350 3.573 20 0 GHADMP Brc1cnccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279405770 1047796310 /nfs/dbraw/zinc/79/63/10/1047796310.db2.gz PWHTWRLCRIAIIT-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1cnccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279405770 1047796322 /nfs/dbraw/zinc/79/63/22/1047796322.db2.gz PWHTWRLCRIAIIT-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1cnccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279405770 1047796327 /nfs/dbraw/zinc/79/63/27/1047796327.db2.gz PWHTWRLCRIAIIT-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(Br)c1 ZINC001279419010 1047798845 /nfs/dbraw/zinc/79/88/45/1047798845.db2.gz JCYHHDCYHWJDLZ-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C2 ZINC001279434942 1047805671 /nfs/dbraw/zinc/80/56/71/1047805671.db2.gz DFGLSTBHYUEPGF-UHFFFAOYSA-N 2 1 387.515 3.758 20 0 GHADMP CSc1cccc(Cl)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279495236 1047824627 /nfs/dbraw/zinc/82/46/27/1047824627.db2.gz NAJYXYLRSPNEMR-UHFFFAOYSA-N 2 1 376.957 3.883 20 0 GHADMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279498430 1047825132 /nfs/dbraw/zinc/82/51/32/1047825132.db2.gz HSVKZTVWFFAFBS-KDURUIRLSA-N 3 1 375.523 3.705 20 0 GHADMP CC[NH+]1CCC(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279498430 1047825138 /nfs/dbraw/zinc/82/51/38/1047825138.db2.gz HSVKZTVWFFAFBS-KDURUIRLSA-N 3 1 375.523 3.705 20 0 GHADMP CC[NH+]1CCC(C[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279498430 1047825148 /nfs/dbraw/zinc/82/51/48/1047825148.db2.gz HSVKZTVWFFAFBS-KDURUIRLSA-N 3 1 375.523 3.705 20 0 GHADMP Brc1sccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279514477 1047830725 /nfs/dbraw/zinc/83/07/25/1047830725.db2.gz BVABMYNOVJAJIY-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1sccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279514477 1047830731 /nfs/dbraw/zinc/83/07/31/1047830731.db2.gz BVABMYNOVJAJIY-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC001279527536 1047834158 /nfs/dbraw/zinc/83/41/58/1047834158.db2.gz XYTDCGQNARMAPB-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC001279527536 1047834169 /nfs/dbraw/zinc/83/41/69/1047834169.db2.gz XYTDCGQNARMAPB-UHFFFAOYSA-N 2 1 380.960 3.681 20 0 GHADMP Cc1nc(Cl)c(CC[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c(Cl)n1 ZINC001279595257 1047860143 /nfs/dbraw/zinc/86/01/43/1047860143.db2.gz FXDZWZNIZWUAGZ-UHFFFAOYSA-N 2 1 383.367 3.975 20 0 GHADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)CC1 ZINC001280310775 1048173980 /nfs/dbraw/zinc/17/39/80/1048173980.db2.gz PEPFLBMOUKQDLU-FXAWDEMLSA-N 2 1 396.000 3.604 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001306869288 1048936774 /nfs/dbraw/zinc/93/67/74/1048936774.db2.gz ZAJFHHXCQXQZKO-QFIPXVFZSA-N 2 1 397.563 3.761 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1)C(C)C ZINC001288350533 1049057358 /nfs/dbraw/zinc/05/73/58/1049057358.db2.gz JIDNFJRCZPYHQU-LJQANCHMSA-N 2 1 380.536 3.663 20 0 GHADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307597732 1049436148 /nfs/dbraw/zinc/43/61/48/1049436148.db2.gz KFMLCNISAROEHY-GOTSBHOMSA-N 2 1 380.532 3.930 20 0 GHADMP COC(=O)C[C@@H]1CCC[NH+]1C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597732 1049436156 /nfs/dbraw/zinc/43/61/56/1049436156.db2.gz KFMLCNISAROEHY-GOTSBHOMSA-N 2 1 380.532 3.930 20 0 GHADMP COC(=O)C[C@@H]1CCC[NH+]1C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597732 1049436157 /nfs/dbraw/zinc/43/61/57/1049436157.db2.gz KFMLCNISAROEHY-GOTSBHOMSA-N 2 1 380.532 3.930 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3ccc(C)cc3)C2=O)CC1)CC1CC1 ZINC001307606768 1049445396 /nfs/dbraw/zinc/44/53/96/1049445396.db2.gz PYOAQVREVKZBOM-QHCPKHFHSA-N 2 1 383.580 3.934 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)c1cccc(C(F)(F)F)c1 ZINC001289851206 1049657377 /nfs/dbraw/zinc/65/73/77/1049657377.db2.gz QVFJNSISMODAOX-OWYHZJEWSA-N 2 1 397.485 3.545 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)c2ccc(C[NH+](C)C)o2)c2cccs2)CC1 ZINC001290021976 1049712839 /nfs/dbraw/zinc/71/28/39/1049712839.db2.gz NADFPAWQAFGLAF-QGZVFWFLSA-N 2 1 375.538 3.606 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954639 1049720246 /nfs/dbraw/zinc/72/02/46/1049720246.db2.gz MTROVESAZXDPKM-YADHBBJMSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954639 1049720257 /nfs/dbraw/zinc/72/02/57/1049720257.db2.gz MTROVESAZXDPKM-YADHBBJMSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954639 1049720263 /nfs/dbraw/zinc/72/02/63/1049720263.db2.gz MTROVESAZXDPKM-YADHBBJMSA-N 2 1 387.568 3.867 20 0 GHADMP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC001307963411 1049725406 /nfs/dbraw/zinc/72/54/06/1049725406.db2.gz XHYYKVIZSJVZGR-APWZRJJASA-N 2 1 377.960 3.571 20 0 GHADMP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC001307963411 1049725413 /nfs/dbraw/zinc/72/54/13/1049725413.db2.gz XHYYKVIZSJVZGR-APWZRJJASA-N 2 1 377.960 3.571 20 0 GHADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001308023759 1049775585 /nfs/dbraw/zinc/77/55/85/1049775585.db2.gz AAODCJDJDBPEAK-UHFFFAOYSA-N 2 1 387.568 3.908 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308039100 1049789365 /nfs/dbraw/zinc/78/93/65/1049789365.db2.gz CVAYOBCPBLTDTQ-RTBURBONSA-N 2 1 388.556 3.629 20 0 GHADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308038664 1049790061 /nfs/dbraw/zinc/79/00/61/1049790061.db2.gz AKGIEPRMSBUUPH-RTBURBONSA-N 2 1 388.556 3.629 20 0 GHADMP COCC[N@H+](Cc1c(Cl)cc(Cl)cc1N(C)C)CC1CC[NH+](C)CC1 ZINC001308895323 1050144515 /nfs/dbraw/zinc/14/45/15/1050144515.db2.gz NYFWPNDWAYBMIF-UHFFFAOYSA-N 2 1 388.383 3.850 20 0 GHADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308941787 1050202136 /nfs/dbraw/zinc/20/21/36/1050202136.db2.gz AZYQZOZZTHKJPL-UGKGYDQZSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308941784 1050202266 /nfs/dbraw/zinc/20/22/66/1050202266.db2.gz AZYQZOZZTHKJPL-DENIHFKCSA-N 2 1 380.532 3.891 20 0 GHADMP Cn1nc2c(c1C[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CSCC2 ZINC001333149215 1051676262 /nfs/dbraw/zinc/67/62/62/1051676262.db2.gz NKRVPLJCKRSUFC-IHWFROFDSA-N 2 1 396.604 3.885 20 0 GHADMP Cn1nc2c(c1C[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CSCC2 ZINC001333149215 1051676268 /nfs/dbraw/zinc/67/62/68/1051676268.db2.gz NKRVPLJCKRSUFC-IHWFROFDSA-N 2 1 396.604 3.885 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(OC)c(OC)c1 ZINC001333464475 1051745856 /nfs/dbraw/zinc/74/58/56/1051745856.db2.gz CZCOZCPCVALLMC-QFIPXVFZSA-N 2 1 397.563 3.692 20 0 GHADMP CC[N@@H+](CCNC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1)C(C)C ZINC001310981312 1051750805 /nfs/dbraw/zinc/75/08/05/1051750805.db2.gz FJWXJNQXYGCXDV-UHFFFAOYSA-N 2 1 389.569 3.742 20 0 GHADMP CC[NH+](CCNC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)C(C)C ZINC001310981312 1051750818 /nfs/dbraw/zinc/75/08/18/1051750818.db2.gz FJWXJNQXYGCXDV-UHFFFAOYSA-N 2 1 389.569 3.742 20 0 GHADMP CC[NH+](CCNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C(C)C ZINC001310981312 1051750825 /nfs/dbraw/zinc/75/08/25/1051750825.db2.gz FJWXJNQXYGCXDV-UHFFFAOYSA-N 2 1 389.569 3.742 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(C)(C)C[NH+](C)C ZINC001311496721 1052203150 /nfs/dbraw/zinc/20/31/50/1052203150.db2.gz XJKPKEJXPGUKGD-OALUTQOASA-N 2 1 388.600 3.837 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001312338998 1052702310 /nfs/dbraw/zinc/70/23/10/1052702310.db2.gz SFEHFTLLZKUXLU-SFTDATJTSA-N 2 1 380.621 3.554 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001312443545 1052745714 /nfs/dbraw/zinc/74/57/14/1052745714.db2.gz ZBLPATFUWCSIHR-IRLDBZIGSA-N 2 1 384.568 3.517 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001312443545 1052745718 /nfs/dbraw/zinc/74/57/18/1052745718.db2.gz ZBLPATFUWCSIHR-IRLDBZIGSA-N 2 1 384.568 3.517 20 0 GHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001312443545 1052745719 /nfs/dbraw/zinc/74/57/19/1052745719.db2.gz ZBLPATFUWCSIHR-IRLDBZIGSA-N 2 1 384.568 3.517 20 0 GHADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001312443545 1052745722 /nfs/dbraw/zinc/74/57/22/1052745722.db2.gz ZBLPATFUWCSIHR-IRLDBZIGSA-N 2 1 384.568 3.517 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c(N2CCCC2)[nH+]1 ZINC001312479926 1052760231 /nfs/dbraw/zinc/76/02/31/1052760231.db2.gz LTNCDCHQICABAJ-NRFANRHFSA-N 2 1 399.583 3.587 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)c(N2CCCC2)[nH+]1 ZINC001312479926 1052760239 /nfs/dbraw/zinc/76/02/39/1052760239.db2.gz LTNCDCHQICABAJ-NRFANRHFSA-N 2 1 399.583 3.587 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1C ZINC001312767600 1052863565 /nfs/dbraw/zinc/86/35/65/1052863565.db2.gz INLKTYHHPUAJGI-FESBUIRDSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001313178887 1052978641 /nfs/dbraw/zinc/97/86/41/1052978641.db2.gz GABCQMNJERNXNU-OGWRGKRKSA-N 2 1 386.584 3.554 20 0 GHADMP CC[N@@H+](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001313816246 1053245420 /nfs/dbraw/zinc/24/54/20/1053245420.db2.gz TWPKVGBJTZAQBQ-RTBURBONSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)C(C)C ZINC001313816246 1053245429 /nfs/dbraw/zinc/24/54/29/1053245429.db2.gz TWPKVGBJTZAQBQ-RTBURBONSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)C(C)C ZINC001313816246 1053245433 /nfs/dbraw/zinc/24/54/33/1053245433.db2.gz TWPKVGBJTZAQBQ-RTBURBONSA-N 2 1 390.620 3.585 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318387906 1054605449 /nfs/dbraw/zinc/60/54/49/1054605449.db2.gz BZCUOJYUUZDWHY-QHCPKHFHSA-N 2 1 394.563 3.546 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318387906 1054605451 /nfs/dbraw/zinc/60/54/51/1054605451.db2.gz BZCUOJYUUZDWHY-QHCPKHFHSA-N 2 1 394.563 3.546 20 0 GHADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001319543964 1055316291 /nfs/dbraw/zinc/31/62/91/1055316291.db2.gz YOMFOJGWGSKQDU-PZJWPPBQSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001319543964 1055316310 /nfs/dbraw/zinc/31/63/10/1055316310.db2.gz YOMFOJGWGSKQDU-PZJWPPBQSA-N 2 1 396.579 3.751 20 0 GHADMP Cc1ccccc1[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001319946248 1055555174 /nfs/dbraw/zinc/55/51/74/1055555174.db2.gz RDVCJTOFQAMNRP-NGYIFUPDSA-N 2 1 391.559 3.815 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC001320176751 1055692493 /nfs/dbraw/zinc/69/24/93/1055692493.db2.gz LSNMZPRBJPOGOD-PUHATCMVSA-N 2 1 395.522 3.599 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC001320176751 1055692500 /nfs/dbraw/zinc/69/25/00/1055692500.db2.gz LSNMZPRBJPOGOD-PUHATCMVSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC001320176751 1055692503 /nfs/dbraw/zinc/69/25/03/1055692503.db2.gz LSNMZPRBJPOGOD-PUHATCMVSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC001320176751 1055692508 /nfs/dbraw/zinc/69/25/08/1055692508.db2.gz LSNMZPRBJPOGOD-PUHATCMVSA-N 2 1 395.522 3.599 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OCc1ccccc1 ZINC001474758246 1056281484 /nfs/dbraw/zinc/28/14/84/1056281484.db2.gz ZXSOXEOQPBWUGC-ZRBLBEILSA-N 2 1 393.531 3.556 20 0 GHADMP Cc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001323659490 1056996186 /nfs/dbraw/zinc/99/61/86/1056996186.db2.gz KOKGPSSVXJHJGD-NFBKMPQASA-N 2 1 388.515 3.769 20 0 GHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001324764084 1057221701 /nfs/dbraw/zinc/22/17/01/1057221701.db2.gz LNMJOCQINLBXJZ-QHCPKHFHSA-N 2 1 392.547 3.713 20 0 GHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001324764084 1057221707 /nfs/dbraw/zinc/22/17/07/1057221707.db2.gz LNMJOCQINLBXJZ-QHCPKHFHSA-N 2 1 392.547 3.713 20 0 GHADMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000849058897 1057569959 /nfs/dbraw/zinc/56/99/59/1057569959.db2.gz ZUTZLGXZOYUQFV-QFIPXVFZSA-N 2 1 379.552 3.619 20 0 GHADMP Cc1cc(C)cc(NC(=[NH2+])NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000849058897 1057569965 /nfs/dbraw/zinc/56/99/65/1057569965.db2.gz ZUTZLGXZOYUQFV-QFIPXVFZSA-N 2 1 379.552 3.619 20 0 GHADMP Cc1cc(C)cc(NC(=[NH2+])NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000849058897 1057569972 /nfs/dbraw/zinc/56/99/72/1057569972.db2.gz ZUTZLGXZOYUQFV-QFIPXVFZSA-N 2 1 379.552 3.619 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000849062521 1057573519 /nfs/dbraw/zinc/57/35/19/1057573519.db2.gz XMRWLRXABAUOLZ-IBGZPJMESA-N 2 1 386.927 3.800 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000849088276 1057589230 /nfs/dbraw/zinc/58/92/30/1057589230.db2.gz CBVZLVRYECLBNM-QZTJIDSGSA-N 2 1 397.592 3.514 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(-n4cccc4)ccc3F)CC2)CC1 ZINC001327084851 1057594925 /nfs/dbraw/zinc/59/49/25/1057594925.db2.gz OLUGBCDONYIKNJ-UHFFFAOYSA-N 2 1 398.526 3.751 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)C1 ZINC001441469997 1058790159 /nfs/dbraw/zinc/79/01/59/1058790159.db2.gz UFGADTHYASPFTM-NHCUHLMSSA-N 2 1 393.575 3.913 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)C1 ZINC001441469997 1058790171 /nfs/dbraw/zinc/79/01/71/1058790171.db2.gz UFGADTHYASPFTM-NHCUHLMSSA-N 2 1 393.575 3.913 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001447473617 1059969159 /nfs/dbraw/zinc/96/91/59/1059969159.db2.gz GWYYQNFYCKNWIY-JOCHJYFZSA-N 2 1 385.596 3.869 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001448130325 1060116278 /nfs/dbraw/zinc/11/62/78/1060116278.db2.gz ZNQNPLYVQFWKKY-FYYLOGMGSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001448130325 1060116282 /nfs/dbraw/zinc/11/62/82/1060116282.db2.gz ZNQNPLYVQFWKKY-FYYLOGMGSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001448130325 1060116291 /nfs/dbraw/zinc/11/62/91/1060116291.db2.gz ZNQNPLYVQFWKKY-FYYLOGMGSA-N 2 1 383.580 3.668 20 0 GHADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001341793057 1060899123 /nfs/dbraw/zinc/89/91/23/1060899123.db2.gz ZAZOASGQFUQSCH-UXHICEINSA-N 2 1 395.572 3.521 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(SCC[NH+]4CCCC4)cc3)C[N@H+]2C1 ZINC001452774912 1061009910 /nfs/dbraw/zinc/00/99/10/1061009910.db2.gz HBRQWVLVPBNGSL-WSTZPKSXSA-N 2 1 387.593 3.933 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)c1 ZINC001346017006 1061292332 /nfs/dbraw/zinc/29/23/32/1061292332.db2.gz IBGNMOLAVAGCRK-UHFFFAOYSA-N 2 1 385.533 3.562 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001454127303 1061619845 /nfs/dbraw/zinc/61/98/45/1061619845.db2.gz PWHQQCJWDAKIKK-YMPZKCBVSA-N 2 1 385.596 3.520 20 0 GHADMP C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3cccc(F)c3)CC2)CC1 ZINC001454605587 1061878512 /nfs/dbraw/zinc/87/85/12/1061878512.db2.gz PDTFREFLPUGQKV-OAQYLSRUSA-N 2 1 387.543 3.515 20 0 GHADMP C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3cccc(F)c3)CC2)CC1 ZINC001454605587 1061878538 /nfs/dbraw/zinc/87/85/38/1061878538.db2.gz PDTFREFLPUGQKV-OAQYLSRUSA-N 2 1 387.543 3.515 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001455507638 1062195328 /nfs/dbraw/zinc/19/53/28/1062195328.db2.gz USDQNHYQXIQUAG-JOCHJYFZSA-N 2 1 383.580 3.908 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCCC4(CC[NH2+]CC4)C3)cc2)C1 ZINC001348543027 1063197117 /nfs/dbraw/zinc/19/71/17/1063197117.db2.gz LUZRFLYOUKPKHW-HXUWFJFHSA-N 2 1 398.595 3.594 20 0 GHADMP COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001349389911 1063692195 /nfs/dbraw/zinc/69/21/95/1063692195.db2.gz POBCSIXUTMYQPB-JOCHJYFZSA-N 2 1 393.531 3.841 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001459315431 1064060035 /nfs/dbraw/zinc/06/00/35/1064060035.db2.gz LZLWYQZUGTYRAS-VXKWHMMOSA-N 2 1 399.966 3.970 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001459315431 1064060042 /nfs/dbraw/zinc/06/00/42/1064060042.db2.gz LZLWYQZUGTYRAS-VXKWHMMOSA-N 2 1 399.966 3.970 20 0 GHADMP CC(C)(C)OC(=O)N(CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC001459783915 1064215305 /nfs/dbraw/zinc/21/53/05/1064215305.db2.gz BWJLQZGDKNJYAV-XLIONFOSSA-N 2 1 377.573 3.725 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1cccc(OC)c1 ZINC001463909769 1064712344 /nfs/dbraw/zinc/71/23/44/1064712344.db2.gz AGDZDTWFFLDUSI-VXKWHMMOSA-N 2 1 387.568 3.601 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC001464696483 1065161669 /nfs/dbraw/zinc/16/16/69/1065161669.db2.gz QASNKLVBWVTQJV-WMZOPIPTSA-N 2 1 398.016 3.695 20 0 GHADMP COc1ccccc1N1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001200105323 1065231400 /nfs/dbraw/zinc/23/14/00/1065231400.db2.gz FNFWMADBGPAODV-QFIPXVFZSA-N 2 1 393.575 3.818 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001464866085 1065250325 /nfs/dbraw/zinc/25/03/25/1065250325.db2.gz AZQVFFIPOBBVIF-NRFANRHFSA-N 2 1 395.547 3.560 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001200244520 1065722774 /nfs/dbraw/zinc/72/27/74/1065722774.db2.gz VCPCIOUEQXLKLF-UHFFFAOYSA-N 2 1 393.000 3.827 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCCC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC001353569253 1066050083 /nfs/dbraw/zinc/05/00/83/1066050083.db2.gz DEOUBQQYXGLYQH-GHTZIAJQSA-N 2 1 377.598 3.807 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001467688215 1067421429 /nfs/dbraw/zinc/42/14/29/1067421429.db2.gz UUWVJHWMYRUAOY-ZCNNSNEGSA-N 2 1 380.621 3.554 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001467688215 1067421433 /nfs/dbraw/zinc/42/14/33/1067421433.db2.gz UUWVJHWMYRUAOY-ZCNNSNEGSA-N 2 1 380.621 3.554 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001467688215 1067421435 /nfs/dbraw/zinc/42/14/35/1067421435.db2.gz UUWVJHWMYRUAOY-ZCNNSNEGSA-N 2 1 380.621 3.554 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC001467861697 1067502510 /nfs/dbraw/zinc/50/25/10/1067502510.db2.gz NSPCHLJEPHJTRJ-HXUWFJFHSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001467861697 1067502520 /nfs/dbraw/zinc/50/25/20/1067502520.db2.gz NSPCHLJEPHJTRJ-HXUWFJFHSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC001467861697 1067502531 /nfs/dbraw/zinc/50/25/31/1067502531.db2.gz NSPCHLJEPHJTRJ-HXUWFJFHSA-N 2 1 388.600 3.838 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC001467867605 1067506734 /nfs/dbraw/zinc/50/67/34/1067506734.db2.gz GWAIJIAXISDWOZ-VQTJNVASSA-N 2 1 388.600 3.838 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001467867605 1067506745 /nfs/dbraw/zinc/50/67/45/1067506745.db2.gz GWAIJIAXISDWOZ-VQTJNVASSA-N 2 1 388.600 3.838 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001467867605 1067506753 /nfs/dbraw/zinc/50/67/53/1067506753.db2.gz GWAIJIAXISDWOZ-VQTJNVASSA-N 2 1 388.600 3.838 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)[NH+](C)C)cc1 ZINC001468351144 1067698991 /nfs/dbraw/zinc/69/89/91/1067698991.db2.gz MTYHPSOOWGDYFT-FCHUYYIVSA-N 2 1 386.584 3.694 20 0 GHADMP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)Cc2ccccc2C1 ZINC000849098404 1067726540 /nfs/dbraw/zinc/72/65/40/1067726540.db2.gz LDDWOFUHBRWKDS-UHFFFAOYSA-N 2 1 392.425 3.621 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001468688613 1067826015 /nfs/dbraw/zinc/82/60/15/1067826015.db2.gz QGKXCFYAPMVYTR-JXFKEZNVSA-N 2 1 394.991 3.752 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC001468688613 1067826031 /nfs/dbraw/zinc/82/60/31/1067826031.db2.gz QGKXCFYAPMVYTR-JXFKEZNVSA-N 2 1 394.991 3.752 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001477858564 1078597118 /nfs/dbraw/zinc/59/71/18/1078597118.db2.gz QJTXSXILFQBVGG-HSZRJFAPSA-N 2 1 398.595 3.879 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001477864907 1078600655 /nfs/dbraw/zinc/60/06/55/1078600655.db2.gz BSUPIGDUPGFNJX-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001477864907 1078600660 /nfs/dbraw/zinc/60/06/60/1078600660.db2.gz BSUPIGDUPGFNJX-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001477864907 1078600665 /nfs/dbraw/zinc/60/06/65/1078600665.db2.gz BSUPIGDUPGFNJX-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001468759351 1067864325 /nfs/dbraw/zinc/86/43/25/1067864325.db2.gz DMTHYNJFFCGMJR-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)c1ccccc1 ZINC001477905482 1078620840 /nfs/dbraw/zinc/62/08/40/1078620840.db2.gz HMQQHGMMXKOQOV-LAUBAEHRSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)c1ccccc1 ZINC001477905482 1078620845 /nfs/dbraw/zinc/62/08/45/1078620845.db2.gz HMQQHGMMXKOQOV-LAUBAEHRSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC001477907220 1078622081 /nfs/dbraw/zinc/62/20/81/1078622081.db2.gz XUNWSIHHYVDVDH-WIYYLYMNSA-N 2 1 386.584 3.822 20 0 GHADMP C[C@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001469164849 1068005299 /nfs/dbraw/zinc/00/52/99/1068005299.db2.gz UNOAAUFVJXEQII-RBKXMNCYSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001469164849 1068005320 /nfs/dbraw/zinc/00/53/20/1068005320.db2.gz UNOAAUFVJXEQII-RBKXMNCYSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001469368167 1068127410 /nfs/dbraw/zinc/12/74/10/1068127410.db2.gz IBPCQVCGTYKBDC-SGNDLWITSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001469368167 1068127414 /nfs/dbraw/zinc/12/74/14/1068127414.db2.gz IBPCQVCGTYKBDC-SGNDLWITSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001469368167 1068127418 /nfs/dbraw/zinc/12/74/18/1068127418.db2.gz IBPCQVCGTYKBDC-SGNDLWITSA-N 2 1 391.559 3.503 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001469754808 1068362197 /nfs/dbraw/zinc/36/21/97/1068362197.db2.gz WBTDHZOQWGTBJE-IPJJNNNSSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001469754808 1068362207 /nfs/dbraw/zinc/36/22/07/1068362207.db2.gz WBTDHZOQWGTBJE-IPJJNNNSSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001469754808 1068362218 /nfs/dbraw/zinc/36/22/18/1068362218.db2.gz WBTDHZOQWGTBJE-IPJJNNNSSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCCCC2)CC[N@H+]1C ZINC001478064351 1078699116 /nfs/dbraw/zinc/69/91/16/1078699116.db2.gz NSZFLVXRGIGEQE-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)CC[NH+]1C ZINC001478064351 1078699120 /nfs/dbraw/zinc/69/91/20/1078699120.db2.gz NSZFLVXRGIGEQE-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)CC[NH+]1C ZINC001478064351 1078699124 /nfs/dbraw/zinc/69/91/24/1078699124.db2.gz NSZFLVXRGIGEQE-FPOVZHCZSA-N 2 1 386.584 3.603 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001469979757 1068500501 /nfs/dbraw/zinc/50/05/01/1068500501.db2.gz VVLNTAJLEYLEPU-YADHBBJMSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001469979757 1068500511 /nfs/dbraw/zinc/50/05/11/1068500511.db2.gz VVLNTAJLEYLEPU-YADHBBJMSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001469979757 1068500523 /nfs/dbraw/zinc/50/05/23/1068500523.db2.gz VVLNTAJLEYLEPU-YADHBBJMSA-N 2 1 390.616 3.880 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001360654344 1068591410 /nfs/dbraw/zinc/59/14/10/1068591410.db2.gz KNJBTUFCRKQXDX-TZIWHRDSSA-N 2 1 389.503 3.754 20 0 GHADMP C[N@@H+](CCCc1c(F)cccc1F)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001460085691 1068771884 /nfs/dbraw/zinc/77/18/84/1068771884.db2.gz IJCPQARVDBWVAZ-UHFFFAOYSA-N 2 1 387.518 3.647 20 0 GHADMP O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001460207840 1068860592 /nfs/dbraw/zinc/86/05/92/1068860592.db2.gz VZNIEAONXUVJGH-JOCHJYFZSA-N 2 1 385.552 3.916 20 0 GHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001460670243 1069073878 /nfs/dbraw/zinc/07/38/78/1069073878.db2.gz GBAMJVLADJYWAR-IBGZPJMESA-N 2 1 382.976 3.688 20 0 GHADMP CCN(C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001478590799 1078927885 /nfs/dbraw/zinc/92/78/85/1078927885.db2.gz JRWLRUMDDBDQAD-VJBMBRPKSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001478590799 1078927887 /nfs/dbraw/zinc/92/78/87/1078927887.db2.gz JRWLRUMDDBDQAD-VJBMBRPKSA-N 2 1 398.595 3.870 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001478686724 1078956384 /nfs/dbraw/zinc/95/63/84/1078956384.db2.gz GWGNBJWPLDLNCS-FSSWDIPSSA-N 2 1 392.632 3.793 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001470877444 1072785667 /nfs/dbraw/zinc/78/56/67/1072785667.db2.gz AZNDNEPBODADSD-HSZRJFAPSA-N 2 1 398.595 3.559 20 0 GHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1cc(C)ccc1C ZINC001471081702 1072914639 /nfs/dbraw/zinc/91/46/39/1072914639.db2.gz WZYUTIWRPQIJMB-UNMCSNQZSA-N 2 1 388.600 3.812 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)cc1 ZINC001471314409 1073013264 /nfs/dbraw/zinc/01/32/64/1073013264.db2.gz JWEYFAKESWCBMH-ZEQRLZLVSA-N 2 1 391.559 3.565 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001478957570 1079039358 /nfs/dbraw/zinc/03/93/58/1079039358.db2.gz ROARSQVPEWYSKS-ILWGZMRPSA-N 2 1 388.600 3.674 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC001478957570 1079039367 /nfs/dbraw/zinc/03/93/67/1079039367.db2.gz ROARSQVPEWYSKS-ILWGZMRPSA-N 2 1 388.600 3.674 20 0 GHADMP CN(C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001479002043 1079059989 /nfs/dbraw/zinc/05/99/89/1079059989.db2.gz XGJVOFVYGAFVBO-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001479002043 1079059991 /nfs/dbraw/zinc/05/99/91/1079059991.db2.gz XGJVOFVYGAFVBO-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001479002043 1079059997 /nfs/dbraw/zinc/05/99/97/1079059997.db2.gz XGJVOFVYGAFVBO-GMAHTHKFSA-N 2 1 398.595 3.699 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001471918982 1073259300 /nfs/dbraw/zinc/25/93/00/1073259300.db2.gz ADMXMEPUCZBLDJ-QKDPSFTKSA-N 2 1 387.543 3.703 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001471918982 1073259305 /nfs/dbraw/zinc/25/93/05/1073259305.db2.gz ADMXMEPUCZBLDJ-QKDPSFTKSA-N 2 1 387.543 3.703 20 0 GHADMP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001479107347 1079106846 /nfs/dbraw/zinc/10/68/46/1079106846.db2.gz POTQEHWGLDPLIQ-OAQYLSRUSA-N 2 1 388.600 3.660 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2c3ccccc3CN2C)CC1)CC1CC1 ZINC001479142802 1079121490 /nfs/dbraw/zinc/12/14/90/1079121490.db2.gz QSYFUXBBEXIKFH-HSZRJFAPSA-N 2 1 398.595 3.717 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203442 1073855077 /nfs/dbraw/zinc/85/50/77/1073855077.db2.gz DUQFMCVCUYJGPX-HXUWFJFHSA-N 2 1 393.019 3.516 20 0 GHADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203442 1073855089 /nfs/dbraw/zinc/85/50/89/1073855089.db2.gz DUQFMCVCUYJGPX-HXUWFJFHSA-N 2 1 393.019 3.516 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203442 1073855100 /nfs/dbraw/zinc/85/51/00/1073855100.db2.gz DUQFMCVCUYJGPX-HXUWFJFHSA-N 2 1 393.019 3.516 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203442 1073855111 /nfs/dbraw/zinc/85/51/11/1073855111.db2.gz DUQFMCVCUYJGPX-HXUWFJFHSA-N 2 1 393.019 3.516 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCN2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001473203442 1073855124 /nfs/dbraw/zinc/85/51/24/1073855124.db2.gz DUQFMCVCUYJGPX-HXUWFJFHSA-N 2 1 393.019 3.516 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC001473965410 1074219928 /nfs/dbraw/zinc/21/99/28/1074219928.db2.gz MAFAACNILHHVDC-FQEVSTJZSA-N 2 1 383.536 3.810 20 0 GHADMP Cc1c(Br)cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1Br ZINC001474223969 1074299667 /nfs/dbraw/zinc/29/96/67/1074299667.db2.gz CJYAHVZTBMGXQE-JTQLQIEISA-N 2 1 378.152 3.950 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001474374390 1074371547 /nfs/dbraw/zinc/37/15/47/1074371547.db2.gz QFZFXZOPRNKZPV-IBGZPJMESA-N 2 1 388.600 3.791 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001474572761 1074468124 /nfs/dbraw/zinc/46/81/24/1074468124.db2.gz QKIMAAGBAVTERH-IBGZPJMESA-N 2 1 396.531 3.874 20 0 GHADMP CCCC[N@@H+](C)CCn1c([C@H](C)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001500407321 1079599122 /nfs/dbraw/zinc/59/91/22/1079599122.db2.gz ITFDIZKRIHFUSB-LJQANCHMSA-N 2 1 390.620 3.588 20 0 GHADMP CCCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001500411818 1079599926 /nfs/dbraw/zinc/59/99/26/1079599926.db2.gz ADDSVUOEYZUTQM-UHFFFAOYSA-N 2 1 398.599 3.598 20 0 GHADMP CCCC[NH+](C)CCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001500411818 1079599931 /nfs/dbraw/zinc/59/99/31/1079599931.db2.gz ADDSVUOEYZUTQM-UHFFFAOYSA-N 2 1 398.599 3.598 20 0 GHADMP CCCC[NH+](C)CCn1c(-c2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001500411818 1079599935 /nfs/dbraw/zinc/59/99/35/1079599935.db2.gz ADDSVUOEYZUTQM-UHFFFAOYSA-N 2 1 398.599 3.598 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820412144 607326155 /nfs/dbraw/zinc/32/61/55/607326155.db2.gz KPCGLNFQAQVUBL-OOGWUDDOSA-N 2 1 388.519 3.713 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CCN(c4cc(N5CCCC5)cc[nH+]4)CC3)C2)c1 ZINC001164699153 719895605 /nfs/dbraw/zinc/89/56/05/719895605.db2.gz XTYQNSSGNTXDTF-UHFFFAOYSA-N 2 1 398.576 3.615 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164717490 720122906 /nfs/dbraw/zinc/12/29/06/720122906.db2.gz PNBOVRSNBWAIAY-JOCHJYFZSA-N 2 1 392.547 3.862 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164717490 720122916 /nfs/dbraw/zinc/12/29/16/720122916.db2.gz PNBOVRSNBWAIAY-JOCHJYFZSA-N 2 1 392.547 3.862 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c([nH+]3)CCCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836270 720533894 /nfs/dbraw/zinc/53/38/94/720533894.db2.gz JJDLPCQNWGHTIW-RZUBCFFCSA-N 2 1 379.552 3.535 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c([nH+]3)CCCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836270 720533899 /nfs/dbraw/zinc/53/38/99/720533899.db2.gz JJDLPCQNWGHTIW-RZUBCFFCSA-N 2 1 379.552 3.535 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164843619 720674649 /nfs/dbraw/zinc/67/46/49/720674649.db2.gz WJNBNUFCMNVTNU-HXUWFJFHSA-N 2 1 390.531 3.833 20 0 GHADMP Cc1cccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164776111 721329537 /nfs/dbraw/zinc/32/95/37/721329537.db2.gz COKWDYTYZWBGQA-UPVQGACJSA-N 2 1 392.547 3.643 20 0 GHADMP C[C@H]1CCC[C@@H](CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431773355 837439197 /nfs/dbraw/zinc/43/91/97/837439197.db2.gz OMPUAYCGRKHZPY-PZJWPPBQSA-N 2 1 392.632 3.650 20 0 GHADMP CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431796150 837559537 /nfs/dbraw/zinc/55/95/37/837559537.db2.gz JGQJKBSYMLVNKY-IFMALSPDSA-N 2 1 392.632 3.793 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431802110 837672351 /nfs/dbraw/zinc/67/23/51/837672351.db2.gz RCIHWHIUIXLOEU-NRFANRHFSA-N 2 1 387.593 3.971 20 0 GHADMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703988 837693452 /nfs/dbraw/zinc/69/34/52/837693452.db2.gz OSTAINIVPJFKCW-XMMPIXPASA-N 3 1 385.596 3.796 20 0 GHADMP Brc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655716457 837721532 /nfs/dbraw/zinc/72/15/32/837721532.db2.gz YASMILHJJITBMN-QGZVFWFLSA-N 2 1 393.369 3.714 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(COC)o2)CC1 ZINC000127369841 834437093 /nfs/dbraw/zinc/43/70/93/834437093.db2.gz KUAJPEQVLMIBTE-INIZCTEOSA-N 2 1 375.488 3.558 20 0 GHADMP CC(C)C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH2+][C@H](C)c1ccccc1 ZINC000458560768 834507765 /nfs/dbraw/zinc/50/77/65/834507765.db2.gz QOQRTGJEFRKFSV-GSUVISHASA-N 2 1 386.584 3.676 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)c(OC)c1 ZINC000584411402 834547061 /nfs/dbraw/zinc/54/70/61/834547061.db2.gz GTCKZGOZCIPFMV-HOTGVXAUSA-N 2 1 387.549 3.649 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000458572397 834558604 /nfs/dbraw/zinc/55/86/04/834558604.db2.gz DOYAPUIYPJRCJJ-ZWKOTPCHSA-N 2 1 380.964 3.505 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000458572397 834558611 /nfs/dbraw/zinc/55/86/11/834558611.db2.gz DOYAPUIYPJRCJJ-ZWKOTPCHSA-N 2 1 380.964 3.505 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000654786983 834563971 /nfs/dbraw/zinc/56/39/71/834563971.db2.gz KSDJWWDZGPIORM-HSZRJFAPSA-N 2 1 391.559 3.632 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4c(cnn4C(C)C)c3)CC2)CC1 ZINC000654810764 834591502 /nfs/dbraw/zinc/59/15/02/834591502.db2.gz VJPCCLNVIAXXBB-UHFFFAOYSA-N 2 1 397.567 3.752 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000430148818 834595717 /nfs/dbraw/zinc/59/57/17/834595717.db2.gz OMVGHWNTLFBWEA-DEOSSOPVSA-N 2 1 394.515 3.580 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000430148818 834595721 /nfs/dbraw/zinc/59/57/21/834595721.db2.gz OMVGHWNTLFBWEA-DEOSSOPVSA-N 2 1 394.515 3.580 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430148818 834595730 /nfs/dbraw/zinc/59/57/30/834595730.db2.gz OMVGHWNTLFBWEA-DEOSSOPVSA-N 2 1 394.515 3.580 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000430148818 834595740 /nfs/dbraw/zinc/59/57/40/834595740.db2.gz OMVGHWNTLFBWEA-DEOSSOPVSA-N 2 1 394.515 3.580 20 0 GHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)sc1Br ZINC000375756000 834631300 /nfs/dbraw/zinc/63/13/00/834631300.db2.gz HLVGGBOUUAWZFU-UONOGXRCSA-N 2 1 387.387 3.971 20 0 GHADMP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000650722246 834688720 /nfs/dbraw/zinc/68/87/20/834688720.db2.gz NXAPIAHZNAWXNQ-CGTJXYLNSA-N 2 1 382.932 3.608 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000650723468 834702651 /nfs/dbraw/zinc/70/26/51/834702651.db2.gz OPAPYXFCMFCQEC-AKIFATBCSA-N 2 1 381.520 3.521 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471118472 834740890 /nfs/dbraw/zinc/74/08/90/834740890.db2.gz FWJDGRUXACKGTM-HSQYWUDLSA-N 2 1 383.511 3.598 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471118472 834740898 /nfs/dbraw/zinc/74/08/98/834740898.db2.gz FWJDGRUXACKGTM-HSQYWUDLSA-N 2 1 383.511 3.598 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000728571860 834790311 /nfs/dbraw/zinc/79/03/11/834790311.db2.gz MQLFOVFHZGGKLR-UHFFFAOYSA-N 2 1 398.595 3.813 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)c(Cl)c1 ZINC000657879531 834883178 /nfs/dbraw/zinc/88/31/78/834883178.db2.gz LFEFMLCCMDZORU-ZFWWWQNUSA-N 2 1 389.765 3.990 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4ccccc4C3(C)C)CC2)CC1 ZINC000654983009 834909383 /nfs/dbraw/zinc/90/93/83/834909383.db2.gz OEHXWHPGWJBQNT-UHFFFAOYSA-N 2 1 383.580 3.503 20 0 GHADMP C[N@H+](Cc1ccccc1OCc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457825 835023160 /nfs/dbraw/zinc/02/31/60/835023160.db2.gz PILJCDOCAVMZOC-DEOSSOPVSA-N 2 1 393.575 3.866 20 0 GHADMP C[N@@H+](Cc1ccccc1OCc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457825 835023169 /nfs/dbraw/zinc/02/31/69/835023169.db2.gz PILJCDOCAVMZOC-DEOSSOPVSA-N 2 1 393.575 3.866 20 0 GHADMP CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000685469984 835034532 /nfs/dbraw/zinc/03/45/32/835034532.db2.gz CJWTXRRAOPVROO-CJNGLKHVSA-N 2 1 385.346 3.628 20 0 GHADMP CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000685469984 835034542 /nfs/dbraw/zinc/03/45/42/835034542.db2.gz CJWTXRRAOPVROO-CJNGLKHVSA-N 2 1 385.346 3.628 20 0 GHADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)n2)cc1 ZINC000583817711 835087115 /nfs/dbraw/zinc/08/71/15/835087115.db2.gz YEERYQXDPSUBTP-IBGZPJMESA-N 2 1 392.478 3.901 20 0 GHADMP COC[C@]1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655627 835269087 /nfs/dbraw/zinc/26/90/87/835269087.db2.gz BVDKAVZWEQYBNP-PBXXJUDPSA-N 2 1 394.559 3.601 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccc(C)cc4)CCC3)CC2)CC1 ZINC000655161319 835331747 /nfs/dbraw/zinc/33/17/47/835331747.db2.gz UTUJOHNUALNDKM-UHFFFAOYSA-N 2 1 383.580 3.687 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000658001168 835368091 /nfs/dbraw/zinc/36/80/91/835368091.db2.gz BZRYURSHOJUCGW-CQSZACIVSA-N 2 1 391.909 3.905 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000658068146 835406720 /nfs/dbraw/zinc/40/67/20/835406720.db2.gz BOUUVTWQFDAOMZ-ZJOUEHCJSA-N 2 1 394.003 3.893 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1)C1CC1 ZINC000584014673 835438101 /nfs/dbraw/zinc/43/81/01/835438101.db2.gz XQOCHUDDWDNWSH-JOCHJYFZSA-N 2 1 383.511 3.843 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136501 835445626 /nfs/dbraw/zinc/44/56/26/835445626.db2.gz HDUUPNRRLXHZOT-VWNXMTODSA-N 2 1 392.543 3.745 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccc(F)cc3)cc2)C1 ZINC000658137444 835463327 /nfs/dbraw/zinc/46/33/27/835463327.db2.gz KVSCVKIQZUTZIM-AGILITTLSA-N 2 1 398.522 3.650 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)n1Cc1ccco1 ZINC000179697422 835748028 /nfs/dbraw/zinc/74/80/28/835748028.db2.gz OXDOEYBMVWYRFA-UHFFFAOYSA-N 2 1 385.552 3.983 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000471199797 835766450 /nfs/dbraw/zinc/76/64/50/835766450.db2.gz QGEHPZVXZGSSDK-TZIWHRDSSA-N 2 1 385.577 3.550 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000471199797 835766457 /nfs/dbraw/zinc/76/64/57/835766457.db2.gz QGEHPZVXZGSSDK-TZIWHRDSSA-N 2 1 385.577 3.550 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000109311152 835797247 /nfs/dbraw/zinc/79/72/47/835797247.db2.gz CZXAHURVIKCSNN-DHIUTWEWSA-N 2 1 379.548 3.626 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000063318966 835953335 /nfs/dbraw/zinc/95/33/35/835953335.db2.gz BBIUWMASVILNFX-UHFFFAOYSA-N 2 1 389.503 3.907 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCC4(C[C@H]3F)OCCO4)cc2)CC1 ZINC000892379175 835972754 /nfs/dbraw/zinc/97/27/54/835972754.db2.gz AOVBIEYEQMEIHZ-NHCUHLMSSA-N 2 1 391.531 3.510 20 0 GHADMP CC[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000685773964 836209158 /nfs/dbraw/zinc/20/91/58/836209158.db2.gz ZGLHRYARXMJAPX-AGILITTLSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000685773964 836209163 /nfs/dbraw/zinc/20/91/63/836209163.db2.gz ZGLHRYARXMJAPX-AGILITTLSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000685773964 836209168 /nfs/dbraw/zinc/20/91/68/836209168.db2.gz ZGLHRYARXMJAPX-AGILITTLSA-N 2 1 393.575 3.924 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000163366742 836228532 /nfs/dbraw/zinc/22/85/32/836228532.db2.gz HQTFWHFCARQXLI-QFUCXCTJSA-N 2 1 379.976 3.645 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000613378048 836233655 /nfs/dbraw/zinc/23/36/55/836233655.db2.gz ROEPCVXNHMFOIU-FUHWJXTLSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000613378048 836233662 /nfs/dbraw/zinc/23/36/62/836233662.db2.gz ROEPCVXNHMFOIU-FUHWJXTLSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613378048 836233672 /nfs/dbraw/zinc/23/36/72/836233672.db2.gz ROEPCVXNHMFOIU-FUHWJXTLSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613378048 836233682 /nfs/dbraw/zinc/23/36/82/836233682.db2.gz ROEPCVXNHMFOIU-FUHWJXTLSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000613378050 836234337 /nfs/dbraw/zinc/23/43/37/836234337.db2.gz ROEPCVXNHMFOIU-SJLPKXTDSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000613378050 836234355 /nfs/dbraw/zinc/23/43/55/836234355.db2.gz ROEPCVXNHMFOIU-SJLPKXTDSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613378050 836234369 /nfs/dbraw/zinc/23/43/69/836234369.db2.gz ROEPCVXNHMFOIU-SJLPKXTDSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613378050 836234379 /nfs/dbraw/zinc/23/43/79/836234379.db2.gz ROEPCVXNHMFOIU-SJLPKXTDSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000613377707 836236140 /nfs/dbraw/zinc/23/61/40/836236140.db2.gz PTGSIYVEEYLWCK-MDNUFGMLSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613377707 836236147 /nfs/dbraw/zinc/23/61/47/836236147.db2.gz PTGSIYVEEYLWCK-MDNUFGMLSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613377707 836236153 /nfs/dbraw/zinc/23/61/53/836236153.db2.gz PTGSIYVEEYLWCK-MDNUFGMLSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000612565517 836411466 /nfs/dbraw/zinc/41/14/66/836411466.db2.gz PCYYCXYYDOWHHH-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424179 836416429 /nfs/dbraw/zinc/41/64/29/836416429.db2.gz XASSEYFKDOQDED-RISCZKNCSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424179 836416433 /nfs/dbraw/zinc/41/64/33/836416433.db2.gz XASSEYFKDOQDED-RISCZKNCSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424179 836416449 /nfs/dbraw/zinc/41/64/49/836416449.db2.gz XASSEYFKDOQDED-RISCZKNCSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000549719655 844161626 /nfs/dbraw/zinc/16/16/26/844161626.db2.gz AZIVINWXCNUYQV-SOLBZPMBSA-N 2 1 395.385 3.785 20 0 GHADMP C[N@@H+](C[C@H](O)COc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403538 836441316 /nfs/dbraw/zinc/44/13/16/836441316.db2.gz UQJCYCYDTVUMEP-UXHICEINSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@H](O)COc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403538 836441319 /nfs/dbraw/zinc/44/13/19/836441319.db2.gz UQJCYCYDTVUMEP-UXHICEINSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@H](O)COc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403538 836441323 /nfs/dbraw/zinc/44/13/23/836441323.db2.gz UQJCYCYDTVUMEP-UXHICEINSA-N 2 1 388.939 3.534 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000414189887 836460779 /nfs/dbraw/zinc/46/07/79/836460779.db2.gz RMWJCXBLLWFXRR-UVKLAMSESA-N 2 1 382.548 3.804 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C[C@H](C)O1 ZINC000170689702 836565230 /nfs/dbraw/zinc/56/52/30/836565230.db2.gz GOWZCFWEVTWFGG-OALUTQOASA-N 2 1 395.547 3.600 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000155212284 836578830 /nfs/dbraw/zinc/57/88/30/836578830.db2.gz PMWUQAWZOMQWLH-SIKLNZKXSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)C1 ZINC001209453445 836585280 /nfs/dbraw/zinc/58/52/80/836585280.db2.gz IEIUYIADCCUOQZ-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170780193 836667467 /nfs/dbraw/zinc/66/74/67/836667467.db2.gz RDPWNYQFONWZJO-HDICACEKSA-N 2 1 388.552 3.609 20 0 GHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170780193 836667470 /nfs/dbraw/zinc/66/74/70/836667470.db2.gz RDPWNYQFONWZJO-HDICACEKSA-N 2 1 388.552 3.609 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000120060912 836706704 /nfs/dbraw/zinc/70/67/04/836706704.db2.gz PVIPVACUOLFLOK-UHFFFAOYSA-N 2 1 381.520 3.578 20 0 GHADMP CC[C@H]1CCC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431684502 836795382 /nfs/dbraw/zinc/79/53/82/836795382.db2.gz FZVUPKPNRYLRQG-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000067222872 844206932 /nfs/dbraw/zinc/20/69/32/844206932.db2.gz YDNXLCCWSFICPZ-NRFANRHFSA-N 2 1 389.547 3.815 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431689829 836840170 /nfs/dbraw/zinc/84/01/70/836840170.db2.gz ZTSUCZQXAPSXLK-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471280176 836842211 /nfs/dbraw/zinc/84/22/11/836842211.db2.gz QLKDQWBEKYGVRQ-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431697898 836906916 /nfs/dbraw/zinc/90/69/16/836906916.db2.gz JYEOXVAGTVSBJU-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000431697898 836906920 /nfs/dbraw/zinc/90/69/20/836906920.db2.gz JYEOXVAGTVSBJU-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000431697898 836906927 /nfs/dbraw/zinc/90/69/27/836906927.db2.gz JYEOXVAGTVSBJU-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175640777 836922994 /nfs/dbraw/zinc/92/29/94/836922994.db2.gz OLOAPOOKFJGQJB-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000511394151 836927944 /nfs/dbraw/zinc/92/79/44/836927944.db2.gz BECRSWVLEUZEEV-STZQEDGTSA-N 2 1 394.003 3.956 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000052120100 844220700 /nfs/dbraw/zinc/22/07/00/844220700.db2.gz JYZXMDYPYGRADK-UHFFFAOYSA-N 2 1 375.451 3.973 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000414361848 837372272 /nfs/dbraw/zinc/37/22/72/837372272.db2.gz UDWBIDGVRPTYQM-UHFFFAOYSA-N 2 1 379.483 3.782 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000051428530 837958477 /nfs/dbraw/zinc/95/84/77/837958477.db2.gz BSIORTAIGOUGDK-FQEVSTJZSA-N 2 1 379.548 3.769 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000047791920 837961035 /nfs/dbraw/zinc/96/10/35/837961035.db2.gz UCDLNCOLADHCLI-RXVVDRJESA-N 2 1 398.551 3.614 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000047791920 837961042 /nfs/dbraw/zinc/96/10/42/837961042.db2.gz UCDLNCOLADHCLI-RXVVDRJESA-N 2 1 398.551 3.614 20 0 GHADMP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000613553042 838051829 /nfs/dbraw/zinc/05/18/29/838051829.db2.gz STGUZDWBMNJWTL-QZTJIDSGSA-N 2 1 378.907 3.844 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415920800 838271652 /nfs/dbraw/zinc/27/16/52/838271652.db2.gz PNYOTSWDACCHQO-GHTZIAJQSA-N 2 1 380.536 3.828 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Nc3ccc(C[NH3+])cc3)cc2)C1 ZINC000415981546 838351426 /nfs/dbraw/zinc/35/14/26/838351426.db2.gz VZIUQDIZXYSDKX-HDICACEKSA-N 2 1 380.536 3.945 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000415985463 838362668 /nfs/dbraw/zinc/36/26/68/838362668.db2.gz SJHYMWVICPOWKI-HSZRJFAPSA-N 2 1 378.520 3.536 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000892748892 838970529 /nfs/dbraw/zinc/97/05/29/838970529.db2.gz IAQXYRPZKVQRDF-UHFFFAOYSA-N 2 1 387.549 3.986 20 0 GHADMP C[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659973113 839031364 /nfs/dbraw/zinc/03/13/64/839031364.db2.gz MCDGDYCNDNTVLC-KNQAVFIVSA-N 2 1 395.572 3.943 20 0 GHADMP C[NH+](CC[C@@H]1Sc2ccccc2NC1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659973113 839031372 /nfs/dbraw/zinc/03/13/72/839031372.db2.gz MCDGDYCNDNTVLC-KNQAVFIVSA-N 2 1 395.572 3.943 20 0 GHADMP C[NH+](CC[C@@H]1Sc2ccccc2NC1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659973113 839031376 /nfs/dbraw/zinc/03/13/76/839031376.db2.gz MCDGDYCNDNTVLC-KNQAVFIVSA-N 2 1 395.572 3.943 20 0 GHADMP Brc1cccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)c1 ZINC000415034301 839095022 /nfs/dbraw/zinc/09/50/22/839095022.db2.gz HOVUHNCOOKRSIZ-OAHLLOKOSA-N 2 1 381.339 3.646 20 0 GHADMP [NH3+]CCC[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000415070947 839152237 /nfs/dbraw/zinc/15/22/37/839152237.db2.gz RTRNWOBHFIJDGF-FQEVSTJZSA-N 2 1 398.576 3.837 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000415106418 839202484 /nfs/dbraw/zinc/20/24/84/839202484.db2.gz JKFVSHJTWFMXEQ-DLBZAZTESA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CCCO1 ZINC000415102972 839209210 /nfs/dbraw/zinc/20/92/10/839209210.db2.gz FDUFSXZIXKTTES-KRWDZBQOSA-N 2 1 378.875 3.608 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3c(F)cccc3Cl)cc2)CCCO1 ZINC000415102972 839209219 /nfs/dbraw/zinc/20/92/19/839209219.db2.gz FDUFSXZIXKTTES-KRWDZBQOSA-N 2 1 378.875 3.608 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000415136787 839262637 /nfs/dbraw/zinc/26/26/37/839262637.db2.gz SDBBXOLPYMTMCM-QPPBQGQZSA-N 2 1 398.639 3.613 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccc1F ZINC000644532698 839773673 /nfs/dbraw/zinc/77/36/73/839773673.db2.gz JHGYSRGHQWILNL-INIZCTEOSA-N 2 1 375.513 3.718 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccc1F ZINC000644532698 839773701 /nfs/dbraw/zinc/77/37/01/839773701.db2.gz JHGYSRGHQWILNL-INIZCTEOSA-N 2 1 375.513 3.718 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000644535745 839783616 /nfs/dbraw/zinc/78/36/16/839783616.db2.gz SBTSPLYJKNOHDQ-FPOVZHCZSA-N 2 1 379.548 3.951 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+](C)C ZINC000510342694 840112487 /nfs/dbraw/zinc/11/24/87/840112487.db2.gz OQACFDQYCUFAND-LJQANCHMSA-N 2 1 395.503 3.536 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000648151446 840121692 /nfs/dbraw/zinc/12/16/92/840121692.db2.gz IFSBUQFFBCPULT-UHFFFAOYSA-N 2 1 385.474 3.646 20 0 GHADMP CCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000246502838 844506708 /nfs/dbraw/zinc/50/67/08/844506708.db2.gz KFRGJHCWHXZJEK-HJNYFJLDSA-N 2 1 384.568 3.610 20 0 GHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000246502838 844506713 /nfs/dbraw/zinc/50/67/13/844506713.db2.gz KFRGJHCWHXZJEK-HJNYFJLDSA-N 2 1 384.568 3.610 20 0 GHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000246502838 844506716 /nfs/dbraw/zinc/50/67/16/844506716.db2.gz KFRGJHCWHXZJEK-HJNYFJLDSA-N 2 1 384.568 3.610 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC000375636445 840231584 /nfs/dbraw/zinc/23/15/84/840231584.db2.gz URHVOOJBXLKXOE-HUUMMWPTSA-N 2 1 395.591 3.953 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418461721 840261797 /nfs/dbraw/zinc/26/17/97/840261797.db2.gz MGYXEKOUHRBOBP-OALUTQOASA-N 2 1 380.536 3.512 20 0 GHADMP Cc1ccc2cc[nH+]c(NCc3cccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)c3)c2c1 ZINC000580830488 840301028 /nfs/dbraw/zinc/30/10/28/840301028.db2.gz DQUJAPQWJYCCAD-OAQYLSRUSA-N 2 1 388.515 3.853 20 0 GHADMP Cc1ccc2cc[nH+]c(NCc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)c2c1 ZINC000580830488 840301039 /nfs/dbraw/zinc/30/10/39/840301039.db2.gz DQUJAPQWJYCCAD-OAQYLSRUSA-N 2 1 388.515 3.853 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000416969897 840325454 /nfs/dbraw/zinc/32/54/54/840325454.db2.gz LVAQWKWWUPMSKM-RBUKOAKNSA-N 2 1 394.563 3.938 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000416969895 840325852 /nfs/dbraw/zinc/32/58/52/840325852.db2.gz LVAQWKWWUPMSKM-MOPGFXCFSA-N 2 1 394.563 3.938 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000416970486 840328003 /nfs/dbraw/zinc/32/80/03/840328003.db2.gz NNJHIUKLPYLRLE-OALUTQOASA-N 2 1 394.563 3.938 20 0 GHADMP C[N@@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513127481 844533205 /nfs/dbraw/zinc/53/32/05/844533205.db2.gz IWLWDELZTZCFCN-JIRNRHONSA-N 2 1 377.532 3.712 20 0 GHADMP C[NH+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513127481 844533208 /nfs/dbraw/zinc/53/32/08/844533208.db2.gz IWLWDELZTZCFCN-JIRNRHONSA-N 2 1 377.532 3.712 20 0 GHADMP C[NH+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513127481 844533215 /nfs/dbraw/zinc/53/32/15/844533215.db2.gz IWLWDELZTZCFCN-JIRNRHONSA-N 2 1 377.532 3.712 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000511673696 840499742 /nfs/dbraw/zinc/49/97/42/840499742.db2.gz VVLLISFVBJEFDF-UHFFFAOYSA-N 2 1 391.559 3.551 20 0 GHADMP Cc1ccc(-n2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)c(C(C)(C)C)n2)cc1 ZINC000584682007 840537524 /nfs/dbraw/zinc/53/75/24/840537524.db2.gz DEIPZDAZUQTVGQ-UHFFFAOYSA-N 2 1 397.611 3.548 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c(C)c1 ZINC000660479808 840630327 /nfs/dbraw/zinc/63/03/27/840630327.db2.gz PAJRXSDZXPSNEJ-OAQYLSRUSA-N 2 1 387.568 3.517 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@H]3CC[NH+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719959 840666429 /nfs/dbraw/zinc/66/64/29/840666429.db2.gz BJYLORHCNGQZQQ-BJKOFHAPSA-N 2 1 391.559 3.862 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719959 840666437 /nfs/dbraw/zinc/66/64/37/840666437.db2.gz BJYLORHCNGQZQQ-BJKOFHAPSA-N 2 1 391.559 3.862 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719959 840666445 /nfs/dbraw/zinc/66/64/45/840666445.db2.gz BJYLORHCNGQZQQ-BJKOFHAPSA-N 2 1 391.559 3.862 20 0 GHADMP CC[N@@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581130455 840765538 /nfs/dbraw/zinc/76/55/38/840765538.db2.gz RUDMXWQEVPNKFI-FIZYVMJDSA-N 2 1 393.934 3.651 20 0 GHADMP CC[N@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581130455 840765546 /nfs/dbraw/zinc/76/55/46/840765546.db2.gz RUDMXWQEVPNKFI-FIZYVMJDSA-N 2 1 393.934 3.651 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000660541887 840839410 /nfs/dbraw/zinc/83/94/10/840839410.db2.gz YUXJHPVZUMMTIM-DHLKQENFSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000660541887 840839423 /nfs/dbraw/zinc/83/94/23/840839423.db2.gz YUXJHPVZUMMTIM-DHLKQENFSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000660541887 840839432 /nfs/dbraw/zinc/83/94/32/840839432.db2.gz YUXJHPVZUMMTIM-DHLKQENFSA-N 2 1 397.607 3.869 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000652125122 840888868 /nfs/dbraw/zinc/88/88/68/840888868.db2.gz DAGCCINEVDXJCB-LJQANCHMSA-N 2 1 394.563 3.780 20 0 GHADMP COc1cccc2c1CC[NH+](CCCC[N@@H+]1CCc3c(cccc3OC)C1)C2 ZINC000543872547 840900235 /nfs/dbraw/zinc/90/02/35/840900235.db2.gz BNYNFGZWIYJQOK-UHFFFAOYSA-N 2 1 380.532 3.900 20 0 GHADMP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468953 841054312 /nfs/dbraw/zinc/05/43/12/841054312.db2.gz WJJYOBNIJPALDE-GBXCKJPGSA-N 2 1 387.531 3.577 20 0 GHADMP c1c(C[NH2+][C@@H]2CCc3ccccc32)nnn1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656468953 841054322 /nfs/dbraw/zinc/05/43/22/841054322.db2.gz WJJYOBNIJPALDE-GBXCKJPGSA-N 2 1 387.531 3.577 20 0 GHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653589 841059633 /nfs/dbraw/zinc/05/96/33/841059633.db2.gz BXWUUGJJDAWXOF-LADGPHEKSA-N 2 1 380.532 3.511 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653589 841059643 /nfs/dbraw/zinc/05/96/43/841059643.db2.gz BXWUUGJJDAWXOF-LADGPHEKSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653589 841059651 /nfs/dbraw/zinc/05/96/51/841059651.db2.gz BXWUUGJJDAWXOF-LADGPHEKSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653589 841059660 /nfs/dbraw/zinc/05/96/60/841059660.db2.gz BXWUUGJJDAWXOF-LADGPHEKSA-N 2 1 380.532 3.511 20 0 GHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652976 841060342 /nfs/dbraw/zinc/06/03/42/841060342.db2.gz NQYSBWLBFYDFGJ-HYBUGGRVSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652976 841060352 /nfs/dbraw/zinc/06/03/52/841060352.db2.gz NQYSBWLBFYDFGJ-HYBUGGRVSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652976 841060365 /nfs/dbraw/zinc/06/03/65/841060365.db2.gz NQYSBWLBFYDFGJ-HYBUGGRVSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652976 841060376 /nfs/dbraw/zinc/06/03/76/841060376.db2.gz NQYSBWLBFYDFGJ-HYBUGGRVSA-N 2 1 396.531 3.636 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000660707109 841122469 /nfs/dbraw/zinc/12/24/69/841122469.db2.gz CCIFXKXJFNTQIC-MRXNPFEDSA-N 2 1 377.964 3.625 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000276150757 841167653 /nfs/dbraw/zinc/16/76/53/841167653.db2.gz OXMHBGCGIBVCMQ-LJQANCHMSA-N 2 1 379.342 3.768 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000581372525 841183337 /nfs/dbraw/zinc/18/33/37/841183337.db2.gz LRWNPWSTNMORCP-LJQANCHMSA-N 2 1 379.548 3.753 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000581377090 841196980 /nfs/dbraw/zinc/19/69/80/841196980.db2.gz ADILZSJTFGXGSL-GUDVDZBRSA-N 2 1 397.485 3.745 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000581377090 841196988 /nfs/dbraw/zinc/19/69/88/841196988.db2.gz ADILZSJTFGXGSL-GUDVDZBRSA-N 2 1 397.485 3.745 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000581377092 841197266 /nfs/dbraw/zinc/19/72/66/841197266.db2.gz ADILZSJTFGXGSL-OTWHNJEPSA-N 2 1 397.485 3.745 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000581377092 841197269 /nfs/dbraw/zinc/19/72/69/841197269.db2.gz ADILZSJTFGXGSL-OTWHNJEPSA-N 2 1 397.485 3.745 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417836958 841217454 /nfs/dbraw/zinc/21/74/54/841217454.db2.gz LYUZLWWXHCDPIZ-WTIAFYNJSA-N 2 1 394.563 3.819 20 0 GHADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417856963 841221668 /nfs/dbraw/zinc/22/16/68/841221668.db2.gz NMNVFQCWAXTTQK-AOMKIAJQSA-N 2 1 391.519 3.803 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000661005487 841329307 /nfs/dbraw/zinc/32/93/07/841329307.db2.gz ZUUBLNPGYZFKMQ-NNWRFLSQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661005487 841329312 /nfs/dbraw/zinc/32/93/12/841329312.db2.gz ZUUBLNPGYZFKMQ-NNWRFLSQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000661005487 841329319 /nfs/dbraw/zinc/32/93/19/841329319.db2.gz ZUUBLNPGYZFKMQ-NNWRFLSQSA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)[C@H]3c3ccco3)CC2)CC1 ZINC000581439235 841408990 /nfs/dbraw/zinc/40/89/90/841408990.db2.gz OFQJZODRMIHMSP-OAQYLSRUSA-N 2 1 385.552 3.530 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000129576783 841764314 /nfs/dbraw/zinc/76/43/14/841764314.db2.gz BJHFLJVBNYPLPW-UHFFFAOYSA-N 2 1 392.522 3.851 20 0 GHADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)Cc1ccn(C)c(=O)c1 ZINC000661576633 841907137 /nfs/dbraw/zinc/90/71/37/841907137.db2.gz WWXOKRMHHMLDPG-UHFFFAOYSA-N 2 1 375.944 3.773 20 0 GHADMP CC[NH+](CC)CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccn(C)c(=O)c1 ZINC000661576633 841907144 /nfs/dbraw/zinc/90/71/44/841907144.db2.gz WWXOKRMHHMLDPG-UHFFFAOYSA-N 2 1 375.944 3.773 20 0 GHADMP Cn1c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000656787076 841927883 /nfs/dbraw/zinc/92/78/83/841927883.db2.gz ZXFYWSJOKILDQY-HNNXBMFYSA-N 2 1 380.458 3.804 20 0 GHADMP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000303506105 842002987 /nfs/dbraw/zinc/00/29/87/842002987.db2.gz VYGOERWBVMTTIE-NFBKMPQASA-N 2 1 394.563 3.643 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COc2cccnc2)C1 ZINC001167823882 842012256 /nfs/dbraw/zinc/01/22/56/842012256.db2.gz FRMCAOJMTNXNMG-QNWVGRARSA-N 2 1 389.584 3.842 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001167823927 842013182 /nfs/dbraw/zinc/01/31/82/842013182.db2.gz FXZFKRVGJSXGPW-CYFREDJKSA-N 2 1 383.580 3.897 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000893490021 842052013 /nfs/dbraw/zinc/05/20/13/842052013.db2.gz LLEJDUJREXTTPK-HSZRJFAPSA-N 2 1 379.548 3.533 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000581714422 842084664 /nfs/dbraw/zinc/08/46/64/842084664.db2.gz DTLSWBYVBOBCRI-RXVVDRJESA-N 2 1 392.547 3.849 20 0 GHADMP O=C1c2ccccc2[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N1Cc1ccccc1 ZINC000623643065 861269236 /nfs/dbraw/zinc/26/92/36/861269236.db2.gz LWQNUYTVZRJLRX-QTEQDKRBSA-N 2 1 375.516 3.600 20 0 GHADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C(C)(C)C ZINC000604774193 842145216 /nfs/dbraw/zinc/14/52/16/842145216.db2.gz FJXRFENDDUYWKV-IRXDYDNUSA-N 2 1 385.474 3.767 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH2+]C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000652288035 842148663 /nfs/dbraw/zinc/14/86/63/842148663.db2.gz RCELZMUMUSUETF-AUSIDOKSSA-N 2 1 394.563 3.773 20 0 GHADMP C(C[NH+]1CCC[C@@H]([C@@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878174 842268070 /nfs/dbraw/zinc/26/80/70/842268070.db2.gz LZJDMQVJZSGVKN-ODAXIHTASA-N 2 1 378.601 3.939 20 0 GHADMP C(C[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878174 842268082 /nfs/dbraw/zinc/26/80/82/842268082.db2.gz LZJDMQVJZSGVKN-ODAXIHTASA-N 2 1 378.601 3.939 20 0 GHADMP C(C[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878174 842268093 /nfs/dbraw/zinc/26/80/93/842268093.db2.gz LZJDMQVJZSGVKN-ODAXIHTASA-N 2 1 378.601 3.939 20 0 GHADMP C(C[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661878172 842268771 /nfs/dbraw/zinc/26/87/71/842268771.db2.gz LZJDMQVJZSGVKN-KAOXLYBCSA-N 2 1 378.601 3.939 20 0 GHADMP C(C[NH+]1CCC[C@H]([C@H]2CCCCO2)C1)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878172 842268782 /nfs/dbraw/zinc/26/87/82/842268782.db2.gz LZJDMQVJZSGVKN-KAOXLYBCSA-N 2 1 378.601 3.939 20 0 GHADMP C(C[NH+]1CCC[C@H]([C@H]2CCCCO2)C1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878172 842268787 /nfs/dbraw/zinc/26/87/87/842268787.db2.gz LZJDMQVJZSGVKN-KAOXLYBCSA-N 2 1 378.601 3.939 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652335231 842270534 /nfs/dbraw/zinc/27/05/34/842270534.db2.gz YYSASXKHKPMFGQ-XWSHUIEDSA-N 2 1 377.532 3.548 20 0 GHADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044700 842299602 /nfs/dbraw/zinc/29/96/02/842299602.db2.gz HANNKSMHTATDKQ-XPNTWCBSSA-N 2 1 387.612 3.718 20 0 GHADMP C[C@@H]1CN(C[C@@H]2CCC[NH+]2CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044700 842299610 /nfs/dbraw/zinc/29/96/10/842299610.db2.gz HANNKSMHTATDKQ-XPNTWCBSSA-N 2 1 387.612 3.718 20 0 GHADMP C[C@@H]1CN(C[C@@H]2CCC[NH+]2CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000512044700 842299620 /nfs/dbraw/zinc/29/96/20/842299620.db2.gz HANNKSMHTATDKQ-XPNTWCBSSA-N 2 1 387.612 3.718 20 0 GHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347909 842319376 /nfs/dbraw/zinc/31/93/76/842319376.db2.gz OIWGCDIJMOTMOS-SIUPPRGNSA-N 2 1 390.915 3.669 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000652348229 842321160 /nfs/dbraw/zinc/32/11/60/842321160.db2.gz YEWCADDHJFDNLJ-WDYCEAGBSA-N 2 1 386.458 3.693 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348907 842327693 /nfs/dbraw/zinc/32/76/93/842327693.db2.gz VTCGPAASHNCHSZ-TWOQFEAHSA-N 2 1 387.549 3.537 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034202 861297732 /nfs/dbraw/zinc/29/77/32/861297732.db2.gz JTEJAHZDGVCMAU-YESZJQIVSA-N 2 1 381.948 3.536 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)C1 ZINC000652349582 842329519 /nfs/dbraw/zinc/32/95/19/842329519.db2.gz TXJOARMWPUHEIU-SPYBWZPUSA-N 2 1 375.513 3.668 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000652361914 842370386 /nfs/dbraw/zinc/37/03/86/842370386.db2.gz SJMFHFVPBIGEJJ-LSTHTHJFSA-N 2 1 375.900 3.856 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000432409643 842401477 /nfs/dbraw/zinc/40/14/77/842401477.db2.gz HQIPVFRKTSHDSH-HFSMHLIXSA-N 2 1 378.532 3.951 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000432409643 842401489 /nfs/dbraw/zinc/40/14/89/842401489.db2.gz HQIPVFRKTSHDSH-HFSMHLIXSA-N 2 1 378.532 3.951 20 0 GHADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1)C[C@@H]1CCCC[C@@H]1O ZINC000481412830 861309836 /nfs/dbraw/zinc/30/98/36/861309836.db2.gz UABYQQNLDRNSIV-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1cccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1)C[C@H]1CCCC[C@H]1O ZINC000481412830 861309855 /nfs/dbraw/zinc/30/98/55/861309855.db2.gz UABYQQNLDRNSIV-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1)C[C@H]1CCCC[C@H]1O ZINC000481412830 861309873 /nfs/dbraw/zinc/30/98/73/861309873.db2.gz UABYQQNLDRNSIV-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c(Br)c1 ZINC000512090717 842462470 /nfs/dbraw/zinc/46/24/70/842462470.db2.gz WTPYJMLVTRULSR-UHFFFAOYSA-N 2 1 393.325 3.688 20 0 GHADMP Cc1ccc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026208294 842503997 /nfs/dbraw/zinc/50/39/97/842503997.db2.gz ORKORELTJZKAQK-HXUWFJFHSA-N 2 1 379.548 3.596 20 0 GHADMP COCCOc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000581911127 842631362 /nfs/dbraw/zinc/63/13/62/842631362.db2.gz HUGIRPCIDJZFTA-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000581911127 842631368 /nfs/dbraw/zinc/63/13/68/842631368.db2.gz HUGIRPCIDJZFTA-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000581911127 842631371 /nfs/dbraw/zinc/63/13/71/842631371.db2.gz HUGIRPCIDJZFTA-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581911127 842631374 /nfs/dbraw/zinc/63/13/74/842631374.db2.gz HUGIRPCIDJZFTA-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000279168237 842663649 /nfs/dbraw/zinc/66/36/49/842663649.db2.gz BLORCYAIWGYOIX-KRWDZBQOSA-N 2 1 397.519 3.539 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)COc1cccc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248546369 842689493 /nfs/dbraw/zinc/68/94/93/842689493.db2.gz DVGNJSFGJHNDJV-CZTZKLFOSA-N 2 1 382.548 3.822 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000471851068 842844966 /nfs/dbraw/zinc/84/49/66/842844966.db2.gz OTFRRIWPIYWJMI-SIKLNZKXSA-N 2 1 383.511 3.826 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652611039 842845367 /nfs/dbraw/zinc/84/53/67/842845367.db2.gz VLBJVQQHTNZQBU-CEXWTWQISA-N 2 1 396.535 3.539 20 0 GHADMP Cc1ccc(-c2ncc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)s2)cc1 ZINC000581971305 842854925 /nfs/dbraw/zinc/85/49/25/842854925.db2.gz QERGBFHHRMEZBN-WCRBZPEASA-N 2 1 396.604 3.861 20 0 GHADMP Cc1ccc(-c2ncc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)s2)cc1 ZINC000581971305 842854939 /nfs/dbraw/zinc/85/49/39/842854939.db2.gz QERGBFHHRMEZBN-WCRBZPEASA-N 2 1 396.604 3.861 20 0 GHADMP C[N@@H+](CCN1CC[NH+](CCSCc2ccccc2)CC1)Cc1ccccc1 ZINC000430738866 842910262 /nfs/dbraw/zinc/91/02/62/842910262.db2.gz GNZQJSJQVLIKBI-UHFFFAOYSA-N 2 1 383.605 3.669 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000152017937 843023397 /nfs/dbraw/zinc/02/33/97/843023397.db2.gz VZHSRBIEFQZVHQ-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2)cs1 ZINC000662294163 843084835 /nfs/dbraw/zinc/08/48/35/843084835.db2.gz PNXRQHLNZWTAIN-IBGZPJMESA-N 2 1 398.576 3.769 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662297269 843094954 /nfs/dbraw/zinc/09/49/54/843094954.db2.gz OXZVUDPNBGOTGG-IBGZPJMESA-N 2 1 386.515 3.828 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC3CCC([NH+]4CCC(C)CC4)CC3)CC2)[nH+]c1 ZINC000161532724 843096554 /nfs/dbraw/zinc/09/65/54/843096554.db2.gz KQKWAFMPFYUIRA-UHFFFAOYSA-N 2 1 398.595 3.766 20 0 GHADMP Clc1cccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1Cl ZINC000662338599 843149533 /nfs/dbraw/zinc/14/95/33/843149533.db2.gz TXDUPSHJNASVFW-AWEZNQCLSA-N 2 1 394.350 3.506 20 0 GHADMP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)n2)c1 ZINC000279594207 843159101 /nfs/dbraw/zinc/15/91/01/843159101.db2.gz VPJNPCXVRSFBCE-SJORKVTESA-N 2 1 394.523 3.527 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc21 ZINC000662362817 843159407 /nfs/dbraw/zinc/15/94/07/843159407.db2.gz SJJMHSPXWKRZFT-NRFANRHFSA-N 2 1 395.522 3.552 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc21 ZINC000662362817 843159416 /nfs/dbraw/zinc/15/94/16/843159416.db2.gz SJJMHSPXWKRZFT-NRFANRHFSA-N 2 1 395.522 3.552 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662388691 843170071 /nfs/dbraw/zinc/17/00/71/843170071.db2.gz SJDJSJVZYFXUFD-JPYJTQIMSA-N 2 1 377.532 3.912 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662385879 843183029 /nfs/dbraw/zinc/18/30/29/843183029.db2.gz IVOZSLLWVWQVGN-HXUWFJFHSA-N 2 1 379.548 3.835 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662385878 843183232 /nfs/dbraw/zinc/18/32/32/843183232.db2.gz IVOZSLLWVWQVGN-FQEVSTJZSA-N 2 1 379.548 3.835 20 0 GHADMP COc1c(F)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001143524634 843315793 /nfs/dbraw/zinc/31/57/93/843315793.db2.gz SHLQQDMXPSHDCK-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP CC(C)N(C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C1CCCC1 ZINC000432656991 843357980 /nfs/dbraw/zinc/35/79/80/843357980.db2.gz NFJOGBHTDVOHPB-HXUWFJFHSA-N 2 1 389.609 3.872 20 0 GHADMP CC(C)N(C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C1CCCC1 ZINC000432656991 843357984 /nfs/dbraw/zinc/35/79/84/843357984.db2.gz NFJOGBHTDVOHPB-HXUWFJFHSA-N 2 1 389.609 3.872 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)cc1)C1CC1 ZINC000510728789 843358214 /nfs/dbraw/zinc/35/82/14/843358214.db2.gz BOOZIRUDYJZZPX-IBGZPJMESA-N 2 1 391.559 3.848 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1)C1CC1 ZINC000510728789 843358225 /nfs/dbraw/zinc/35/82/25/843358225.db2.gz BOOZIRUDYJZZPX-IBGZPJMESA-N 2 1 391.559 3.848 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1)C1CC1 ZINC000510728789 843358233 /nfs/dbraw/zinc/35/82/33/843358233.db2.gz BOOZIRUDYJZZPX-IBGZPJMESA-N 2 1 391.559 3.848 20 0 GHADMP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662582648 843420846 /nfs/dbraw/zinc/42/08/46/843420846.db2.gz QWFJHGNGGGYRGO-YESZJQIVSA-N 2 1 383.561 3.517 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662582648 843420853 /nfs/dbraw/zinc/42/08/53/843420853.db2.gz QWFJHGNGGGYRGO-YESZJQIVSA-N 2 1 383.561 3.517 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418657836 843506848 /nfs/dbraw/zinc/50/68/48/843506848.db2.gz INUAABJWYUPWCT-NZQKXSOJSA-N 2 1 394.563 3.773 20 0 GHADMP CN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418659563 843508511 /nfs/dbraw/zinc/50/85/11/843508511.db2.gz LYJGCBSVTBKZKV-XZOQPEGZSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000418674997 843526153 /nfs/dbraw/zinc/52/61/53/843526153.db2.gz PGOWFJYDEFVNIL-NFBKMPQASA-N 2 1 394.563 3.630 20 0 GHADMP CCC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CC[NH2+]CC1 ZINC000431074042 843549341 /nfs/dbraw/zinc/54/93/41/843549341.db2.gz PCMJHEYSXJQQMC-JOCHJYFZSA-N 2 1 375.532 3.637 20 0 GHADMP CCC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)C1CC[NH2+]CC1 ZINC000431074042 843549346 /nfs/dbraw/zinc/54/93/46/843549346.db2.gz PCMJHEYSXJQQMC-JOCHJYFZSA-N 2 1 375.532 3.637 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000673705877 861430221 /nfs/dbraw/zinc/43/02/21/861430221.db2.gz CXBFILCWXHIUTD-JTHBVZDNSA-N 2 1 398.595 3.587 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000303143769 843703218 /nfs/dbraw/zinc/70/32/18/843703218.db2.gz LHHKAGMVRMQNGF-IYBDPMFKSA-N 2 1 381.358 3.770 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@H](C)O1 ZINC000303143769 843703220 /nfs/dbraw/zinc/70/32/20/843703220.db2.gz LHHKAGMVRMQNGF-IYBDPMFKSA-N 2 1 381.358 3.770 20 0 GHADMP CN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253916 843754397 /nfs/dbraw/zinc/75/43/97/843754397.db2.gz FPDPLAAQYBNDOW-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253916 843754399 /nfs/dbraw/zinc/75/43/99/843754399.db2.gz FPDPLAAQYBNDOW-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253916 843754406 /nfs/dbraw/zinc/75/44/06/843754406.db2.gz FPDPLAAQYBNDOW-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP Cc1ccccc1CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512426654 843767927 /nfs/dbraw/zinc/76/79/27/843767927.db2.gz HXBMOZPZPOPKOC-VWLOTQADSA-N 2 1 377.576 3.820 20 0 GHADMP CC(C)Oc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000512819226 843799581 /nfs/dbraw/zinc/79/95/81/843799581.db2.gz ASKVURSOKTZKQP-XMMPIXPASA-N 2 1 381.564 3.942 20 0 GHADMP Cc1ccc(CCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512457349 843859482 /nfs/dbraw/zinc/85/94/82/843859482.db2.gz RVWDSJVHIUVIAC-RUZDIDTESA-N 2 1 377.576 3.820 20 0 GHADMP COc1cc(C[NH+](C)C[C@@H]2CCCCO2)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000432937428 844686478 /nfs/dbraw/zinc/68/64/78/844686478.db2.gz KMRLLWWZFQUCMZ-VXKWHMMOSA-N 2 1 390.568 3.697 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC4([NH+]5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616568 844752546 /nfs/dbraw/zinc/75/25/46/844752546.db2.gz BRKSANZUUJQBIF-VXNXHJTFSA-N 3 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616568 844752553 /nfs/dbraw/zinc/75/25/53/844752553.db2.gz BRKSANZUUJQBIF-VXNXHJTFSA-N 3 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4(N5CCCC5)CCOCC4)[C@@H]3C2)cc1 ZINC000512616568 844752559 /nfs/dbraw/zinc/75/25/59/844752559.db2.gz BRKSANZUUJQBIF-VXNXHJTFSA-N 2 1 397.607 3.522 20 0 GHADMP Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C[NH+](C)C ZINC000458295438 844803026 /nfs/dbraw/zinc/80/30/26/844803026.db2.gz WNHMJIQQXYSPJC-OALUTQOASA-N 2 1 395.547 3.918 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513212855 845056091 /nfs/dbraw/zinc/05/60/91/845056091.db2.gz RCXZNWPJQVJVAV-NVXWUHKLSA-N 2 1 393.457 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000513212855 845056101 /nfs/dbraw/zinc/05/61/01/845056101.db2.gz RCXZNWPJQVJVAV-NVXWUHKLSA-N 2 1 393.457 3.550 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)CC1 ZINC000093132614 845111816 /nfs/dbraw/zinc/11/18/16/845111816.db2.gz UNKSOPRDZXTPTO-QGZVFWFLSA-N 2 1 396.560 3.768 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433065072 845148986 /nfs/dbraw/zinc/14/89/86/845148986.db2.gz ZREMBGLHOOHFIY-QFIPXVFZSA-N 2 1 378.516 3.889 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433065072 845148992 /nfs/dbraw/zinc/14/89/92/845148992.db2.gz ZREMBGLHOOHFIY-QFIPXVFZSA-N 2 1 378.516 3.889 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCN(C)c2ccccc2C1)C1CC[NH+](C)CC1 ZINC000513386375 845361165 /nfs/dbraw/zinc/36/11/65/845361165.db2.gz KHOPCCDIJSEIQW-UHFFFAOYSA-N 2 1 378.564 3.669 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179389418 861559716 /nfs/dbraw/zinc/55/97/16/861559716.db2.gz KEKXUEBKTBKUHE-UHFFFAOYSA-N 2 1 396.535 3.657 20 0 GHADMP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124603 845456390 /nfs/dbraw/zinc/45/63/90/845456390.db2.gz DSQSXPXOORHMGS-SFTDATJTSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000513488688 845522069 /nfs/dbraw/zinc/52/20/69/845522069.db2.gz ZIXYKBALCTUAAR-JTHBVZDNSA-N 2 1 393.575 3.914 20 0 GHADMP FC(F)C(F)(F)COCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433172072 845577435 /nfs/dbraw/zinc/57/74/35/845577435.db2.gz DDELKZMLLPQUCX-UHFFFAOYSA-N 2 1 388.449 3.892 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472086067 845767592 /nfs/dbraw/zinc/76/75/92/845767592.db2.gz UZAWXKSPMKYPIC-UNMCSNQZSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccc1Br ZINC000179510382 861609578 /nfs/dbraw/zinc/60/95/78/861609578.db2.gz MWUPICRIPHGEIB-AWEZNQCLSA-N 2 1 378.314 3.635 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)CC2)CC1 ZINC000421383569 846199830 /nfs/dbraw/zinc/19/98/30/846199830.db2.gz ZIFRQHOMIRNZEI-UHFFFAOYSA-N 2 1 396.554 3.880 20 0 GHADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc(C)c1OC(F)F ZINC000513691595 846342067 /nfs/dbraw/zinc/34/20/67/846342067.db2.gz VROMAWULHOKKCF-IBGZPJMESA-N 2 1 381.511 3.507 20 0 GHADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc(C)c1OC(F)F ZINC000513691595 846342075 /nfs/dbraw/zinc/34/20/75/846342075.db2.gz VROMAWULHOKKCF-IBGZPJMESA-N 2 1 381.511 3.507 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000511078319 846414450 /nfs/dbraw/zinc/41/44/50/846414450.db2.gz WSUWHXFNHVKYRA-UHFFFAOYSA-N 2 1 379.548 3.924 20 0 GHADMP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c2ccccn21 ZINC000563258775 846438228 /nfs/dbraw/zinc/43/82/28/846438228.db2.gz VTGFNRQKRXOKIY-PGRDOPGGSA-N 2 1 394.567 3.706 20 0 GHADMP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c2ccccn21 ZINC000563258775 846438233 /nfs/dbraw/zinc/43/82/33/846438233.db2.gz VTGFNRQKRXOKIY-PGRDOPGGSA-N 2 1 394.567 3.706 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000502838078 846508442 /nfs/dbraw/zinc/50/84/42/846508442.db2.gz CKHWKTPHEGZZNY-UGKGYDQZSA-N 2 1 388.600 3.806 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000502828649 846522956 /nfs/dbraw/zinc/52/29/56/846522956.db2.gz MMOKZAOFEJFHEF-RTBURBONSA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000502828649 846522959 /nfs/dbraw/zinc/52/29/59/846522959.db2.gz MMOKZAOFEJFHEF-RTBURBONSA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000502828649 846522964 /nfs/dbraw/zinc/52/29/64/846522964.db2.gz MMOKZAOFEJFHEF-RTBURBONSA-N 2 1 392.613 3.524 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502852454 846545763 /nfs/dbraw/zinc/54/57/63/846545763.db2.gz GHQCIPYNFBBYGW-FVJLSDCUSA-N 2 1 395.950 3.853 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000501030232 846548484 /nfs/dbraw/zinc/54/84/84/846548484.db2.gz BXIGWIQLRMRHLP-IBGZPJMESA-N 2 1 379.976 3.599 20 0 GHADMP COC(=O)[C@H](c1cccc(Cl)c1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501069057 846599191 /nfs/dbraw/zinc/59/91/91/846599191.db2.gz OHGOWPKUPFBVKU-FQEVSTJZSA-N 2 1 387.911 3.798 20 0 GHADMP COC(=O)[C@H](c1cccc(Cl)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501069057 846599194 /nfs/dbraw/zinc/59/91/94/846599194.db2.gz OHGOWPKUPFBVKU-FQEVSTJZSA-N 2 1 387.911 3.798 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Cl)c1 ZINC000582232053 846684593 /nfs/dbraw/zinc/68/45/93/846684593.db2.gz CUSBIUUIIANKPZ-IEZWGBDMSA-N 2 1 393.959 3.502 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000503036589 846737920 /nfs/dbraw/zinc/73/79/20/846737920.db2.gz QMQSUXRUTWHMSL-CTNGQTDRSA-N 2 1 395.547 3.775 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422129985 846831039 /nfs/dbraw/zinc/83/10/39/846831039.db2.gz AHOKYJCFAAZTSD-JOCHJYFZSA-N 2 1 386.584 3.585 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422129985 846831040 /nfs/dbraw/zinc/83/10/40/846831040.db2.gz AHOKYJCFAAZTSD-JOCHJYFZSA-N 2 1 386.584 3.585 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)cc2)CC1 ZINC000501416889 846903138 /nfs/dbraw/zinc/90/31/38/846903138.db2.gz FYGWRCSHZIFOQC-LADGPHEKSA-N 2 1 378.564 3.645 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000501520142 846980295 /nfs/dbraw/zinc/98/02/95/846980295.db2.gz LKCIJSJLPDRMKY-MOPGFXCFSA-N 2 1 390.572 3.649 20 0 GHADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000501596371 847048332 /nfs/dbraw/zinc/04/83/32/847048332.db2.gz WYGWFVHIEQQDMX-UHFFFAOYSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319409 847115068 /nfs/dbraw/zinc/11/50/68/847115068.db2.gz PMOWBVOHRDSKFU-FUHWJXTLSA-N 2 1 394.519 3.687 20 0 GHADMP CC[C@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319409 847115073 /nfs/dbraw/zinc/11/50/73/847115073.db2.gz PMOWBVOHRDSKFU-FUHWJXTLSA-N 2 1 394.519 3.687 20 0 GHADMP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000420330362 847127191 /nfs/dbraw/zinc/12/71/91/847127191.db2.gz BCLIUFPEYVNZCT-WMZOPIPTSA-N 2 1 382.335 3.563 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000511116210 847134433 /nfs/dbraw/zinc/13/44/33/847134433.db2.gz QLCKDPBSLHCBEK-UHFFFAOYSA-N 2 1 385.577 3.938 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000501755924 847166568 /nfs/dbraw/zinc/16/65/68/847166568.db2.gz MXHXTYSJLNUAHJ-CEXWTWQISA-N 2 1 392.613 3.552 20 0 GHADMP CN(C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420412003 847175867 /nfs/dbraw/zinc/17/58/67/847175867.db2.gz ZAGYOYSZFLAQST-GOTSBHOMSA-N 2 1 391.559 3.698 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420412003 847175874 /nfs/dbraw/zinc/17/58/74/847175874.db2.gz ZAGYOYSZFLAQST-GOTSBHOMSA-N 2 1 391.559 3.698 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000501778648 847178732 /nfs/dbraw/zinc/17/87/32/847178732.db2.gz VEJRCDOMJNLHBG-UHFFFAOYSA-N 2 1 385.552 3.729 20 0 GHADMP C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272868197 847194340 /nfs/dbraw/zinc/19/43/40/847194340.db2.gz VVKCEUNMTPDCEE-AZUAARDMSA-N 2 1 380.536 3.509 20 0 GHADMP C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272868197 847194348 /nfs/dbraw/zinc/19/43/48/847194348.db2.gz VVKCEUNMTPDCEE-AZUAARDMSA-N 2 1 380.536 3.509 20 0 GHADMP C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272868201 847194631 /nfs/dbraw/zinc/19/46/31/847194631.db2.gz VVKCEUNMTPDCEE-ICSRJNTNSA-N 2 1 380.536 3.509 20 0 GHADMP C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272868201 847194635 /nfs/dbraw/zinc/19/46/35/847194635.db2.gz VVKCEUNMTPDCEE-ICSRJNTNSA-N 2 1 380.536 3.509 20 0 GHADMP C[N@@H+](CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)Cc1ccccc1 ZINC000501800842 847201655 /nfs/dbraw/zinc/20/16/55/847201655.db2.gz KQMSYYBDKDHLJC-HSZRJFAPSA-N 2 1 394.563 3.645 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000420806468 847445900 /nfs/dbraw/zinc/44/59/00/847445900.db2.gz WQJLKKLJQSHFNO-UHFFFAOYSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000420806468 847445911 /nfs/dbraw/zinc/44/59/11/847445911.db2.gz WQJLKKLJQSHFNO-UHFFFAOYSA-N 2 1 398.551 3.584 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)cc2)CC1 ZINC000731677624 861807525 /nfs/dbraw/zinc/80/75/25/861807525.db2.gz XVNXUNDGQABUHI-UHFFFAOYSA-N 2 1 393.575 3.827 20 0 GHADMP COC(=O)c1ccc(Cl)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000511166296 847657618 /nfs/dbraw/zinc/65/76/18/847657618.db2.gz QMLMCPKDHAHVJW-UHFFFAOYSA-N 2 1 387.911 3.870 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000560250804 847662776 /nfs/dbraw/zinc/66/27/76/847662776.db2.gz YZQUISLVKUUKCQ-DQMJNTIXSA-N 2 1 380.532 3.809 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831364 847844498 /nfs/dbraw/zinc/84/44/98/847844498.db2.gz DXOKZKWTRFTDAE-JZWVFAODSA-N 3 1 397.588 3.806 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831364 847844502 /nfs/dbraw/zinc/84/45/02/847844502.db2.gz DXOKZKWTRFTDAE-JZWVFAODSA-N 3 1 397.588 3.806 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831364 847844510 /nfs/dbraw/zinc/84/45/10/847844510.db2.gz DXOKZKWTRFTDAE-JZWVFAODSA-N 2 1 397.588 3.806 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831364 847844515 /nfs/dbraw/zinc/84/45/15/847844515.db2.gz DXOKZKWTRFTDAE-JZWVFAODSA-N 2 1 397.588 3.806 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422831973 847845472 /nfs/dbraw/zinc/84/54/72/847845472.db2.gz XBXNERKDEFHNEN-CRAIPNDOSA-N 2 1 389.927 3.534 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000422892500 847888209 /nfs/dbraw/zinc/88/82/09/847888209.db2.gz NDCONTXVLGSJRZ-DZFGPLHGSA-N 2 1 384.520 3.864 20 0 GHADMP Fc1ccc(Br)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422947071 847910414 /nfs/dbraw/zinc/91/04/14/847910414.db2.gz PSCRHCLLSVAGOG-MJGOQNOKSA-N 2 1 391.284 3.934 20 0 GHADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1OC ZINC000422950556 847912061 /nfs/dbraw/zinc/91/20/61/847912061.db2.gz YJBUIZBXAYVYGT-DJIMGWMZSA-N 2 1 397.357 3.867 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000503734245 847927546 /nfs/dbraw/zinc/92/75/46/847927546.db2.gz XOWLAFZVGIEPAW-FQEVSTJZSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423044959 847954157 /nfs/dbraw/zinc/95/41/57/847954157.db2.gz RNDAATKCZCXYGB-DPPHCXMASA-N 3 1 391.559 3.743 20 0 GHADMP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423044959 847954164 /nfs/dbraw/zinc/95/41/64/847954164.db2.gz RNDAATKCZCXYGB-DPPHCXMASA-N 2 1 391.559 3.743 20 0 GHADMP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423044959 847954170 /nfs/dbraw/zinc/95/41/70/847954170.db2.gz RNDAATKCZCXYGB-DPPHCXMASA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1CC([N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168045498 861907222 /nfs/dbraw/zinc/90/72/22/861907222.db2.gz KBUNQKQIQQBSMI-LRGVIFCOSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1CC([N@H+]2CC3CC2(C(=O)N2CCCC2)C3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168045498 861907241 /nfs/dbraw/zinc/90/72/41/861907241.db2.gz KBUNQKQIQQBSMI-LRGVIFCOSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000582838246 848531105 /nfs/dbraw/zinc/53/11/05/848531105.db2.gz ZGCOGFPEGKAOIT-HXUWFJFHSA-N 2 1 394.563 3.602 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000611728331 848570871 /nfs/dbraw/zinc/57/08/71/848570871.db2.gz QCXSHWWWQRYIPO-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP CCC(CC)(CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH2+][C@H](C)c1ccccc1 ZINC000458382289 849050569 /nfs/dbraw/zinc/05/05/69/849050569.db2.gz XTILUFXTSWZEFM-LBFURVHYSA-N 2 1 386.584 3.820 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)C2)C1 ZINC000458383895 849067452 /nfs/dbraw/zinc/06/74/52/849067452.db2.gz LAHRMZSPFATSRN-XMMPIXPASA-N 2 1 398.595 3.690 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000583124137 849120284 /nfs/dbraw/zinc/12/02/84/849120284.db2.gz UZWQDNOLVRSWJW-DHIUTWEWSA-N 2 1 382.548 3.627 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC(C)(C)CC2)CC1 ZINC001167658435 849302835 /nfs/dbraw/zinc/30/28/35/849302835.db2.gz GWUZKSBDYXPWRD-UHFFFAOYSA-N 2 1 385.596 3.976 20 0 GHADMP CN(C)C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423104784 849754833 /nfs/dbraw/zinc/75/48/33/849754833.db2.gz MRCZMQMJRIRVNA-RZUBCFFCSA-N 2 1 385.939 3.788 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCCNCc4cccnc4)[C@@H]3C2)cc1 ZINC000423186610 849776339 /nfs/dbraw/zinc/77/63/39/849776339.db2.gz LEQCKPIPRQSIEI-ISJGIBHGSA-N 2 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000423186610 849776344 /nfs/dbraw/zinc/77/63/44/849776344.db2.gz LEQCKPIPRQSIEI-ISJGIBHGSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000423186610 849776350 /nfs/dbraw/zinc/77/63/50/849776350.db2.gz LEQCKPIPRQSIEI-ISJGIBHGSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000423186610 849776358 /nfs/dbraw/zinc/77/63/58/849776358.db2.gz LEQCKPIPRQSIEI-ISJGIBHGSA-N 3 1 392.591 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000423186610 849776361 /nfs/dbraw/zinc/77/63/61/849776361.db2.gz LEQCKPIPRQSIEI-ISJGIBHGSA-N 3 1 392.591 3.842 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423364187 849886768 /nfs/dbraw/zinc/88/67/68/849886768.db2.gz JSNKAKMWCYMRIN-NOXOBXMSSA-N 2 1 380.479 3.512 20 0 GHADMP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431592 849928125 /nfs/dbraw/zinc/92/81/25/849928125.db2.gz LXOSVVFGXKXZRS-GCVYGYKWSA-N 2 1 378.339 3.749 20 0 GHADMP Clc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423514161 849962861 /nfs/dbraw/zinc/96/28/61/849962861.db2.gz MDFDQUWQTJRIFV-HZPDHXFCSA-N 2 1 377.941 3.809 20 0 GHADMP CCc1cc(C)cc(CC)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000435187041 850198248 /nfs/dbraw/zinc/19/82/48/850198248.db2.gz HGBRAOMWIGBOFF-OAQYLSRUSA-N 2 1 388.600 4.000 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000424189075 850281331 /nfs/dbraw/zinc/28/13/31/850281331.db2.gz MTHPSURDLMWBIX-ZJSXRUAMSA-N 2 1 393.575 3.768 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000424189075 850281340 /nfs/dbraw/zinc/28/13/40/850281340.db2.gz MTHPSURDLMWBIX-ZJSXRUAMSA-N 2 1 393.575 3.768 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000894288429 850293745 /nfs/dbraw/zinc/29/37/45/850293745.db2.gz USZBJNBOHWSIGC-FUHWJXTLSA-N 2 1 379.570 3.588 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000894288429 850293753 /nfs/dbraw/zinc/29/37/53/850293753.db2.gz USZBJNBOHWSIGC-FUHWJXTLSA-N 2 1 379.570 3.588 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000424301521 850342693 /nfs/dbraw/zinc/34/26/93/850342693.db2.gz XMWKLPNMJSUUOF-UONOGXRCSA-N 2 1 384.351 3.635 20 0 GHADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)C[C@H]2C1 ZINC000424348594 850378272 /nfs/dbraw/zinc/37/82/72/850378272.db2.gz LUPBDCIMVMBNHO-VHJOFQCFSA-N 2 1 398.591 3.708 20 0 GHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000435381658 850445428 /nfs/dbraw/zinc/44/54/28/850445428.db2.gz XHPTXDOZARWVCS-FQEVSTJZSA-N 2 1 390.531 3.648 20 0 GHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000435381658 850445439 /nfs/dbraw/zinc/44/54/39/850445439.db2.gz XHPTXDOZARWVCS-FQEVSTJZSA-N 2 1 390.531 3.648 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1F ZINC000504928871 850465535 /nfs/dbraw/zinc/46/55/35/850465535.db2.gz DZVPBUWFPGDTAX-PGRDOPGGSA-N 2 1 385.527 3.864 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC[N@H+]1C ZINC000487234504 850588200 /nfs/dbraw/zinc/58/82/00/850588200.db2.gz IPDRMPNCSHZWIK-QFIPXVFZSA-N 2 1 386.584 3.765 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965895 850698484 /nfs/dbraw/zinc/69/84/84/850698484.db2.gz PMPUUYLSGVTKIM-NWJVMNJYSA-N 2 1 395.563 3.577 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C/C=C/c3ccncc3)cc2)C[C@H]1C ZINC000487547591 850715349 /nfs/dbraw/zinc/71/53/49/850715349.db2.gz HYTWOVKKSDIPHT-XYYGOAGESA-N 2 1 379.548 3.894 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167966136 850825206 /nfs/dbraw/zinc/82/52/06/850825206.db2.gz QTVMSFZPPCLMIH-QFMLELGNSA-N 2 1 377.573 3.627 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000519286217 850864555 /nfs/dbraw/zinc/86/45/55/850864555.db2.gz YOKFVBXGNGKCMZ-XMMPIXPASA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000519286217 850864564 /nfs/dbraw/zinc/86/45/64/850864564.db2.gz YOKFVBXGNGKCMZ-XMMPIXPASA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000519286217 850864573 /nfs/dbraw/zinc/86/45/73/850864573.db2.gz YOKFVBXGNGKCMZ-XMMPIXPASA-N 2 1 391.559 3.519 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C(C)(C)C ZINC000522613450 862181905 /nfs/dbraw/zinc/18/19/05/862181905.db2.gz PBUGZTBFOIKWJV-QZTJIDSGSA-N 2 1 382.980 3.608 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435865922 850940760 /nfs/dbraw/zinc/94/07/60/850940760.db2.gz DUBSCJVHLAJWMP-VQTJNVASSA-N 2 1 388.556 3.513 20 0 GHADMP CCC[N@H+](CCCO[C@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514074737 851195692 /nfs/dbraw/zinc/19/56/92/851195692.db2.gz TZMTZDCNTKWGTJ-QFIPXVFZSA-N 2 1 390.572 3.708 20 0 GHADMP CCC[N@@H+](CCCO[C@H]1CCCCO1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514074737 851195694 /nfs/dbraw/zinc/19/56/94/851195694.db2.gz TZMTZDCNTKWGTJ-QFIPXVFZSA-N 2 1 390.572 3.708 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1F ZINC000515642710 851302530 /nfs/dbraw/zinc/30/25/30/851302530.db2.gz NUAFEMYEGQOAEB-HXUWFJFHSA-N 2 1 380.467 3.662 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H](c4ccccc4)C3)c2)C1 ZINC000436226540 851339297 /nfs/dbraw/zinc/33/92/97/851339297.db2.gz IVLRVMCXXIMVNT-SMIHKQSGSA-N 2 1 391.559 3.810 20 0 GHADMP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110911092 851478332 /nfs/dbraw/zinc/47/83/32/851478332.db2.gz MVQVROCGLPTDBX-HSZRJFAPSA-N 2 1 379.548 3.660 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000473735616 851792068 /nfs/dbraw/zinc/79/20/68/851792068.db2.gz RGVNGJYYGANMPM-QFIPXVFZSA-N 2 1 388.600 3.792 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000473735616 851792071 /nfs/dbraw/zinc/79/20/71/851792071.db2.gz RGVNGJYYGANMPM-QFIPXVFZSA-N 2 1 388.600 3.792 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000473735616 851792075 /nfs/dbraw/zinc/79/20/75/851792075.db2.gz RGVNGJYYGANMPM-QFIPXVFZSA-N 2 1 388.600 3.792 20 0 GHADMP CC(C)c1ncc(CN(C)C/C=C/C[N@@H+](C)Cc2cnc(C(C)C)nc2)cn1 ZINC000440463284 851876984 /nfs/dbraw/zinc/87/69/84/851876984.db2.gz PBHAAKDXDCIMIU-BQYQJAHWSA-N 2 1 382.556 3.633 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000550199805 851883547 /nfs/dbraw/zinc/88/35/47/851883547.db2.gz NGFNDYAFRJDPMS-HSZRJFAPSA-N 2 1 391.515 3.512 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000550199805 851883549 /nfs/dbraw/zinc/88/35/49/851883549.db2.gz NGFNDYAFRJDPMS-HSZRJFAPSA-N 2 1 391.515 3.512 20 0 GHADMP CC[C@]1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN(C(=O)OC(C)(C)C)C1 ZINC001167977277 851915542 /nfs/dbraw/zinc/91/55/42/851915542.db2.gz AZSISOWCKVMGNW-MFXLTOHQSA-N 2 1 377.573 3.771 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)C1CCCCC1 ZINC001167977862 851931018 /nfs/dbraw/zinc/93/10/18/851931018.db2.gz GVQKGSSKOWALEA-CKSHBVQHSA-N 2 1 387.612 3.989 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282477426 862322291 /nfs/dbraw/zinc/32/22/91/862322291.db2.gz PVCQQPJAJJBWBT-PTUXOGIPSA-N 2 1 392.547 3.793 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282477426 862322309 /nfs/dbraw/zinc/32/23/09/862322309.db2.gz PVCQQPJAJJBWBT-PTUXOGIPSA-N 2 1 392.547 3.793 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282477422 862322822 /nfs/dbraw/zinc/32/28/22/862322822.db2.gz PVCQQPJAJJBWBT-OIBXWCBGSA-N 2 1 392.547 3.793 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282477422 862322837 /nfs/dbraw/zinc/32/28/37/862322837.db2.gz PVCQQPJAJJBWBT-OIBXWCBGSA-N 2 1 392.547 3.793 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000516162599 852204678 /nfs/dbraw/zinc/20/46/78/852204678.db2.gz QDCYNBMBONADOA-BVYCBKJFSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000506921253 852338157 /nfs/dbraw/zinc/33/81/57/852338157.db2.gz HRZPDOOCGFEZPL-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000506921253 852338167 /nfs/dbraw/zinc/33/81/67/852338167.db2.gz HRZPDOOCGFEZPL-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000506921253 852338179 /nfs/dbraw/zinc/33/81/79/852338179.db2.gz HRZPDOOCGFEZPL-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CCC(F)(F)F ZINC000426037403 852481694 /nfs/dbraw/zinc/48/16/94/852481694.db2.gz UUAJUVBYDWMLOC-XUVXKRRUSA-N 2 1 383.502 3.761 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000489677647 852526532 /nfs/dbraw/zinc/52/65/32/852526532.db2.gz KYVDWGYKZKEBBK-UHFFFAOYSA-N 2 1 393.575 3.579 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000438567084 852585800 /nfs/dbraw/zinc/58/58/00/852585800.db2.gz LCWITIGYPKNLMI-HXUWFJFHSA-N 2 1 383.511 3.781 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000507387293 852870330 /nfs/dbraw/zinc/87/03/30/852870330.db2.gz ASAFHOPJEMQBND-JOCHJYFZSA-N 2 1 386.584 3.594 20 0 GHADMP Fc1ccccc1COc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000506004685 852915580 /nfs/dbraw/zinc/91/55/80/852915580.db2.gz FYLWVPATSGMGPC-UHFFFAOYSA-N 2 1 397.538 3.618 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]CC1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000427272187 852923242 /nfs/dbraw/zinc/92/32/42/852923242.db2.gz BYFYLMDPTNCICK-MRXNPFEDSA-N 2 1 397.485 3.566 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000427282619 852932982 /nfs/dbraw/zinc/93/29/82/852932982.db2.gz UXFAQUPCVQGIAA-OAHLLOKOSA-N 2 1 398.378 3.854 20 0 GHADMP C[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167986271 853004490 /nfs/dbraw/zinc/00/44/90/853004490.db2.gz BZYHHRSHXKKDHM-YOFSQIOKSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+](C1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167986271 853004501 /nfs/dbraw/zinc/00/45/01/853004501.db2.gz BZYHHRSHXKKDHM-YOFSQIOKSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+](C1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167986271 853004512 /nfs/dbraw/zinc/00/45/12/853004512.db2.gz BZYHHRSHXKKDHM-YOFSQIOKSA-N 2 1 377.573 3.723 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000509595412 853029412 /nfs/dbraw/zinc/02/94/12/853029412.db2.gz HHFPDQVGXABIJL-SESVDKBCSA-N 2 1 398.551 3.625 20 0 GHADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000427442345 853115034 /nfs/dbraw/zinc/11/50/34/853115034.db2.gz FZGBPEDIMULMCV-KRWDZBQOSA-N 2 1 391.522 3.764 20 0 GHADMP O=C1C[C@@H](c2ccccc2)C2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)N1 ZINC001167987403 853249924 /nfs/dbraw/zinc/24/99/24/853249924.db2.gz BJOAWFMALHGIER-KORDQABASA-N 2 1 393.575 3.530 20 0 GHADMP CCN(C(=O)NCc1c[nH+]c2n1CCCC2)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517049390 853306504 /nfs/dbraw/zinc/30/65/04/853306504.db2.gz KXNSEVYOGVUYKI-ICSRJNTNSA-N 2 1 395.551 3.586 20 0 GHADMP CCN(C(=O)NCc1c[nH+]c2n1CCCC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000517049390 853306515 /nfs/dbraw/zinc/30/65/15/853306515.db2.gz KXNSEVYOGVUYKI-ICSRJNTNSA-N 2 1 395.551 3.586 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000518440821 853362391 /nfs/dbraw/zinc/36/23/91/853362391.db2.gz BUMLMEYEQYLALB-UHFFFAOYSA-N 2 1 379.976 3.731 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)C[C@@H](C)O1 ZINC000518440436 853362733 /nfs/dbraw/zinc/36/27/33/853362733.db2.gz SYURIDKYSHUJRL-GRFNRIFCSA-N 2 1 394.506 3.568 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000439196803 853408829 /nfs/dbraw/zinc/40/88/29/853408829.db2.gz HEBRWDPHBKVBFT-PMOQBDJRSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000439196803 853408838 /nfs/dbraw/zinc/40/88/38/853408838.db2.gz HEBRWDPHBKVBFT-PMOQBDJRSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000439196803 853408847 /nfs/dbraw/zinc/40/88/47/853408847.db2.gz HEBRWDPHBKVBFT-PMOQBDJRSA-N 2 1 398.595 3.829 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000290605218 853419176 /nfs/dbraw/zinc/41/91/76/853419176.db2.gz WEVKHUOFLBIMAZ-UHFFFAOYSA-N 2 1 395.507 3.519 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000290605218 853419187 /nfs/dbraw/zinc/41/91/87/853419187.db2.gz WEVKHUOFLBIMAZ-UHFFFAOYSA-N 2 1 395.507 3.519 20 0 GHADMP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491046813 853425687 /nfs/dbraw/zinc/42/56/87/853425687.db2.gz FMKDSUQUVIBRDV-IBGZPJMESA-N 2 1 399.604 3.639 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000519757798 853468546 /nfs/dbraw/zinc/46/85/46/853468546.db2.gz BWIVAKYBVNMUPH-OPYAIIAOSA-N 2 1 382.976 3.736 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(Cl)c1 ZINC000290839231 853489647 /nfs/dbraw/zinc/48/96/47/853489647.db2.gz YHCCTPMFNOASQP-LJQANCHMSA-N 2 1 377.916 3.543 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000518595040 853535081 /nfs/dbraw/zinc/53/50/81/853535081.db2.gz HGBQUZFOGKTCBH-HDICACEKSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000519882329 853580280 /nfs/dbraw/zinc/58/02/80/853580280.db2.gz PXVZOMCDLXQZCS-UEVCKROQSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000519882329 853580284 /nfs/dbraw/zinc/58/02/84/853580284.db2.gz PXVZOMCDLXQZCS-UEVCKROQSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000519882329 853580289 /nfs/dbraw/zinc/58/02/89/853580289.db2.gz PXVZOMCDLXQZCS-UEVCKROQSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623898340 862496246 /nfs/dbraw/zinc/49/62/46/862496246.db2.gz FVEWPJKASSLBQR-ZWOKBUDYSA-N 2 1 387.549 3.621 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623898340 862496255 /nfs/dbraw/zinc/49/62/55/862496255.db2.gz FVEWPJKASSLBQR-ZWOKBUDYSA-N 2 1 387.549 3.621 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093961 853827287 /nfs/dbraw/zinc/82/72/87/853827287.db2.gz PWZGJMADLHCUST-TZIWHRDSSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520093961 853827293 /nfs/dbraw/zinc/82/72/93/853827293.db2.gz PWZGJMADLHCUST-TZIWHRDSSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520093961 853827298 /nfs/dbraw/zinc/82/72/98/853827298.db2.gz PWZGJMADLHCUST-TZIWHRDSSA-N 2 1 389.559 3.809 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167989149 853917899 /nfs/dbraw/zinc/91/78/99/853917899.db2.gz YAGABBSPTWZFLW-GYJUQIRSSA-N 2 1 389.584 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167989149 853917901 /nfs/dbraw/zinc/91/79/01/853917901.db2.gz YAGABBSPTWZFLW-GYJUQIRSSA-N 2 1 389.584 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167989149 853917905 /nfs/dbraw/zinc/91/79/05/853917905.db2.gz YAGABBSPTWZFLW-GYJUQIRSSA-N 2 1 389.584 3.771 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340493 854109674 /nfs/dbraw/zinc/10/96/74/854109674.db2.gz ZLURWRQRNJCNJV-GOTSBHOMSA-N 2 1 382.548 3.900 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340493 854109680 /nfs/dbraw/zinc/10/96/80/854109680.db2.gz ZLURWRQRNJCNJV-GOTSBHOMSA-N 2 1 382.548 3.900 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340493 854109685 /nfs/dbraw/zinc/10/96/85/854109685.db2.gz ZLURWRQRNJCNJV-GOTSBHOMSA-N 2 1 382.548 3.900 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340493 854109688 /nfs/dbraw/zinc/10/96/88/854109688.db2.gz ZLURWRQRNJCNJV-GOTSBHOMSA-N 2 1 382.548 3.900 20 0 GHADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)C(C)(C)C2)c1 ZINC000623945593 862537903 /nfs/dbraw/zinc/53/79/03/862537903.db2.gz UODZOJAGJAJVBN-FUHWJXTLSA-N 2 1 390.547 3.923 20 0 GHADMP C[C@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623945593 862537914 /nfs/dbraw/zinc/53/79/14/862537914.db2.gz UODZOJAGJAJVBN-FUHWJXTLSA-N 2 1 390.547 3.923 20 0 GHADMP C[C@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623945593 862537922 /nfs/dbraw/zinc/53/79/22/862537922.db2.gz UODZOJAGJAJVBN-FUHWJXTLSA-N 2 1 390.547 3.923 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000520391777 854164926 /nfs/dbraw/zinc/16/49/26/854164926.db2.gz PELLIKAKZIFBHJ-NHCUHLMSSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000520391777 854164931 /nfs/dbraw/zinc/16/49/31/854164931.db2.gz PELLIKAKZIFBHJ-NHCUHLMSSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000520391777 854164936 /nfs/dbraw/zinc/16/49/36/854164936.db2.gz PELLIKAKZIFBHJ-NHCUHLMSSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000520391777 854164943 /nfs/dbraw/zinc/16/49/43/854164943.db2.gz PELLIKAKZIFBHJ-NHCUHLMSSA-N 2 1 386.584 3.557 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000588699208 854364863 /nfs/dbraw/zinc/36/48/63/854364863.db2.gz FFJUEHQOMAXOQX-HSZRJFAPSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000623970850 862557286 /nfs/dbraw/zinc/55/72/86/862557286.db2.gz BTHWLQQNDQOAED-ZIAGYGMSSA-N 2 1 393.881 3.775 20 0 GHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000623970850 862557289 /nfs/dbraw/zinc/55/72/89/862557289.db2.gz BTHWLQQNDQOAED-ZIAGYGMSSA-N 2 1 393.881 3.775 20 0 GHADMP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588711301 854369430 /nfs/dbraw/zinc/36/94/30/854369430.db2.gz YAEFEOMDSOIUBZ-ROUUACIJSA-N 2 1 383.536 3.971 20 0 GHADMP C[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995033 854429395 /nfs/dbraw/zinc/42/93/95/854429395.db2.gz UWPSKORBDKGUQV-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995033 854429400 /nfs/dbraw/zinc/42/94/00/854429400.db2.gz UWPSKORBDKGUQV-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995033 854429408 /nfs/dbraw/zinc/42/94/08/854429408.db2.gz UWPSKORBDKGUQV-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)C2)cc1 ZINC001167995036 854430021 /nfs/dbraw/zinc/43/00/21/854430021.db2.gz UXSOCTCMWDYDPD-DVMHTGGUSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)C2)cc1 ZINC001167995036 854430023 /nfs/dbraw/zinc/43/00/23/854430023.db2.gz UXSOCTCMWDYDPD-DVMHTGGUSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)C2)cc1 ZINC001167995036 854430024 /nfs/dbraw/zinc/43/00/24/854430024.db2.gz UXSOCTCMWDYDPD-DVMHTGGUSA-N 2 1 379.592 3.990 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)s2)cc1 ZINC000765791452 854820476 /nfs/dbraw/zinc/82/04/76/854820476.db2.gz JFBLTUKADLMXHR-YJLNNSPDSA-N 2 1 387.549 3.641 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)s2)cc1 ZINC000765791452 854820481 /nfs/dbraw/zinc/82/04/81/854820481.db2.gz JFBLTUKADLMXHR-YJLNNSPDSA-N 2 1 387.549 3.641 20 0 GHADMP CCC[N@H+](Cc1cccc2c1OCCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198011 854921568 /nfs/dbraw/zinc/92/15/68/854921568.db2.gz XQYRMIXEXDWJOM-UHFFFAOYSA-N 2 1 396.535 3.746 20 0 GHADMP CCC[N@@H+](Cc1cccc2c1OCCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198011 854921570 /nfs/dbraw/zinc/92/15/70/854921570.db2.gz XQYRMIXEXDWJOM-UHFFFAOYSA-N 2 1 396.535 3.746 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(Br)c1OC ZINC000623654489 855070363 /nfs/dbraw/zinc/07/03/63/855070363.db2.gz ATKRPJHPCWXJLI-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(Br)c1OC ZINC000623654489 855070369 /nfs/dbraw/zinc/07/03/69/855070369.db2.gz ATKRPJHPCWXJLI-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589999430 855220090 /nfs/dbraw/zinc/22/00/90/855220090.db2.gz HOQDJOOPVSNKPC-IBGZPJMESA-N 2 1 397.538 3.674 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000572964367 855467536 /nfs/dbraw/zinc/46/75/36/855467536.db2.gz INLCAOZUHIQEMW-RUZDIDTESA-N 2 1 391.559 3.577 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190600606 855503820 /nfs/dbraw/zinc/50/38/20/855503820.db2.gz UQUBRIBJBQZPMI-QGZVFWFLSA-N 2 1 386.403 3.579 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000108504950 855915470 /nfs/dbraw/zinc/91/54/70/855915470.db2.gz SSCYXBLUTRWXKY-HXUWFJFHSA-N 2 1 381.524 3.661 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000108504950 855915476 /nfs/dbraw/zinc/91/54/76/855915476.db2.gz SSCYXBLUTRWXKY-HXUWFJFHSA-N 2 1 381.524 3.661 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@H](C)C1 ZINC000152410368 855941678 /nfs/dbraw/zinc/94/16/78/855941678.db2.gz YVALPQSFDRAHLG-FYYLOGMGSA-N 2 1 388.596 3.770 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000591429556 855975172 /nfs/dbraw/zinc/97/51/72/855975172.db2.gz VBTTXYWNKXWLTL-WMZHIEFXSA-N 2 1 379.548 3.633 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000103143071 856061128 /nfs/dbraw/zinc/06/11/28/856061128.db2.gz GUKBBZYJFHKOLG-UHFFFAOYSA-N 2 1 375.520 3.556 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000103143071 856061144 /nfs/dbraw/zinc/06/11/44/856061144.db2.gz GUKBBZYJFHKOLG-UHFFFAOYSA-N 2 1 375.520 3.556 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000573317657 856073742 /nfs/dbraw/zinc/07/37/42/856073742.db2.gz QKHYPEVMABCMGE-TZIWHRDSSA-N 2 1 380.536 3.609 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573321588 856077065 /nfs/dbraw/zinc/07/70/65/856077065.db2.gz RZCROQLULJUWIG-JBYOLUDKSA-N 2 1 395.950 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573321588 856077070 /nfs/dbraw/zinc/07/70/70/856077070.db2.gz RZCROQLULJUWIG-JBYOLUDKSA-N 2 1 395.950 3.756 20 0 GHADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(Br)s3)s2)CCO1 ZINC001204755769 856087922 /nfs/dbraw/zinc/08/79/22/856087922.db2.gz IEEXGQXULLRZFS-LLVKDONJSA-N 2 1 387.368 3.789 20 0 GHADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Br)s3)s2)CCO1 ZINC001204755769 856087932 /nfs/dbraw/zinc/08/79/32/856087932.db2.gz IEEXGQXULLRZFS-LLVKDONJSA-N 2 1 387.368 3.789 20 0 GHADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(-c3ccc(Br)s3)s2)CCO1 ZINC001204755772 856088953 /nfs/dbraw/zinc/08/89/53/856088953.db2.gz IEEXGQXULLRZFS-NSHDSACASA-N 2 1 387.368 3.789 20 0 GHADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Br)s3)s2)CCO1 ZINC001204755772 856088959 /nfs/dbraw/zinc/08/89/59/856088959.db2.gz IEEXGQXULLRZFS-NSHDSACASA-N 2 1 387.368 3.789 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000542843994 856122423 /nfs/dbraw/zinc/12/24/23/856122423.db2.gz OFWHTVYLHSFGDO-OFNKIYASSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000542843994 856122430 /nfs/dbraw/zinc/12/24/30/856122430.db2.gz OFWHTVYLHSFGDO-OFNKIYASSA-N 2 1 391.559 3.999 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@H]1CCc2ccccc21 ZINC000674308627 856156657 /nfs/dbraw/zinc/15/66/57/856156657.db2.gz NAOSPBDBZQLTQW-JOCHJYFZSA-N 2 1 397.607 3.761 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843821 856235463 /nfs/dbraw/zinc/23/54/63/856235463.db2.gz SUDBLAXNBRRUQO-LJQANCHMSA-N 2 1 395.547 3.866 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843821 856235468 /nfs/dbraw/zinc/23/54/68/856235468.db2.gz SUDBLAXNBRRUQO-LJQANCHMSA-N 2 1 395.547 3.866 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000172601746 856274044 /nfs/dbraw/zinc/27/40/44/856274044.db2.gz NMCKITQUHIGULF-XXBNENTESA-N 2 1 379.548 3.731 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000172601746 856274057 /nfs/dbraw/zinc/27/40/57/856274057.db2.gz NMCKITQUHIGULF-XXBNENTESA-N 2 1 379.548 3.731 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000172601746 856274071 /nfs/dbraw/zinc/27/40/71/856274071.db2.gz NMCKITQUHIGULF-XXBNENTESA-N 2 1 379.548 3.731 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1cccs1 ZINC000573695545 856442022 /nfs/dbraw/zinc/44/20/22/856442022.db2.gz PYFJLLKORYKMAR-UZLBHIALSA-N 2 1 384.549 3.598 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573723744 856454120 /nfs/dbraw/zinc/45/41/20/856454120.db2.gz YVZJOZYALJUSBK-OAQYLSRUSA-N 2 1 380.532 3.858 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000485425633 856484902 /nfs/dbraw/zinc/48/49/02/856484902.db2.gz HQPPJFNLCZJWKE-MRXNPFEDSA-N 2 1 383.458 3.698 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000485425633 856484911 /nfs/dbraw/zinc/48/49/11/856484911.db2.gz HQPPJFNLCZJWKE-MRXNPFEDSA-N 2 1 383.458 3.698 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000485425633 856484925 /nfs/dbraw/zinc/48/49/25/856484925.db2.gz HQPPJFNLCZJWKE-MRXNPFEDSA-N 2 1 383.458 3.698 20 0 GHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905499 856586541 /nfs/dbraw/zinc/58/65/41/856586541.db2.gz LKNNCSAHNSVBKU-OFNKIYASSA-N 2 1 394.563 3.595 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccccc1F ZINC000485480640 856628595 /nfs/dbraw/zinc/62/85/95/856628595.db2.gz NKUDJXBZUYMKDG-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccccc1F ZINC000485480640 856628607 /nfs/dbraw/zinc/62/86/07/856628607.db2.gz NKUDJXBZUYMKDG-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000429236867 856683327 /nfs/dbraw/zinc/68/33/27/856683327.db2.gz MVSLTVUVDUCSFJ-LJQANCHMSA-N 2 1 386.515 3.801 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000429236867 856683332 /nfs/dbraw/zinc/68/33/32/856683332.db2.gz MVSLTVUVDUCSFJ-LJQANCHMSA-N 2 1 386.515 3.801 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1sccc1Br ZINC000658136694 856774783 /nfs/dbraw/zinc/77/47/83/856774783.db2.gz DUVLWSPQOWQMED-BBRMVZONSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000672226504 856887708 /nfs/dbraw/zinc/88/77/08/856887708.db2.gz VRYGQFMLEGXAQS-QHAWAJNXSA-N 2 1 399.579 3.639 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658230864 857099005 /nfs/dbraw/zinc/09/90/05/857099005.db2.gz ANBPMPYFUPITGA-ZROJVYTPSA-N 2 1 378.564 3.917 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429246150 857186663 /nfs/dbraw/zinc/18/66/63/857186663.db2.gz FOYCHHYMUJQLQV-NFBKMPQASA-N 2 1 395.478 3.762 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000061551106 857530017 /nfs/dbraw/zinc/53/00/17/857530017.db2.gz YXTDHNPKAMOAMP-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000077512668 857569832 /nfs/dbraw/zinc/56/98/32/857569832.db2.gz UZOIPNUFODWWHH-IBGZPJMESA-N 2 1 380.536 3.877 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000062646670 857577944 /nfs/dbraw/zinc/57/79/44/857577944.db2.gz ZMTIEUFDLIDMKI-WMZHIEFXSA-N 2 1 388.600 3.837 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)[C@H](C)C1 ZINC000675773876 857605636 /nfs/dbraw/zinc/60/56/36/857605636.db2.gz GBKGKNZGBYYGRI-HMFYCAOWSA-N 2 1 395.538 3.518 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000675822397 857625195 /nfs/dbraw/zinc/62/51/95/857625195.db2.gz YTPXUCRANRKSRD-IFMALSPDSA-N 2 1 399.966 3.801 20 0 GHADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000486487863 857786415 /nfs/dbraw/zinc/78/64/15/857786415.db2.gz KODTVEFEXCMCTH-YLJYHZDGSA-N 2 1 384.520 3.713 20 0 GHADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000486487863 857786423 /nfs/dbraw/zinc/78/64/23/857786423.db2.gz KODTVEFEXCMCTH-YLJYHZDGSA-N 2 1 384.520 3.713 20 0 GHADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568531 857870763 /nfs/dbraw/zinc/87/07/63/857870763.db2.gz SLFJGAXURMTENX-UGKGYDQZSA-N 2 1 375.520 3.576 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccco1 ZINC000574427648 857883608 /nfs/dbraw/zinc/88/36/08/857883608.db2.gz CNHWMQTXUKMPKF-FNHZYXHNSA-N 2 1 377.916 3.781 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066159964 857904295 /nfs/dbraw/zinc/90/42/95/857904295.db2.gz SYIWOHUTNWCFKG-FQEVSTJZSA-N 2 1 381.524 3.757 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000605340205 862967683 /nfs/dbraw/zinc/96/76/83/862967683.db2.gz SOJFTFBYNJQGNH-RBUKOAKNSA-N 2 1 390.572 3.649 20 0 GHADMP Cc1cc(Br)cn2c(C[NH+]3CCC(CCC[NH+](C)C)CC3)cnc12 ZINC000544348284 857964665 /nfs/dbraw/zinc/96/46/65/857964665.db2.gz FLWYVAOBMNXJBN-UHFFFAOYSA-N 2 1 393.373 3.959 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2cccc(Br)c21 ZINC000482346920 862975798 /nfs/dbraw/zinc/97/57/98/862975798.db2.gz BKKQWIZEVXBKFO-BEFAXECRSA-N 2 1 394.401 3.861 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000594311561 858037208 /nfs/dbraw/zinc/03/72/08/858037208.db2.gz XRWGETDNABIGIX-HDICACEKSA-N 2 1 394.991 3.676 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000543062383 858142968 /nfs/dbraw/zinc/14/29/68/858142968.db2.gz WIXURMPWKZYDLS-UHFFFAOYSA-N 2 1 379.911 3.614 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1(C)C ZINC000442879547 858200714 /nfs/dbraw/zinc/20/07/14/858200714.db2.gz WPONYTWXECPSCF-INIZCTEOSA-N 2 1 386.403 3.577 20 0 GHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OCc1ccccc1 ZINC000442880897 858202224 /nfs/dbraw/zinc/20/22/24/858202224.db2.gz ZOMXSQGDLUWTQS-FQEVSTJZSA-N 2 1 381.564 3.942 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(Br)c1OC(F)F ZINC000442919422 858243728 /nfs/dbraw/zinc/24/37/28/858243728.db2.gz FGQQVLPSLSKYHC-LLVKDONJSA-N 2 1 393.272 3.620 20 0 GHADMP CCCOc1c(Br)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442923754 858247630 /nfs/dbraw/zinc/24/76/30/858247630.db2.gz RDIQVHDCQGMXLQ-CQSZACIVSA-N 2 1 385.346 3.807 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000574813586 858326369 /nfs/dbraw/zinc/32/63/69/858326369.db2.gz AARCKYRGSCBAPV-LJQANCHMSA-N 2 1 379.548 3.610 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cnc(C(C)C)nc2)CC1 ZINC000443064006 858332440 /nfs/dbraw/zinc/33/24/40/858332440.db2.gz OGYDQZARUGEGIQ-UHFFFAOYSA-N 2 1 381.568 3.764 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cnc(C(C)C)nc2)CC1 ZINC000443064006 858332444 /nfs/dbraw/zinc/33/24/44/858332444.db2.gz OGYDQZARUGEGIQ-UHFFFAOYSA-N 2 1 381.568 3.764 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065057 858333458 /nfs/dbraw/zinc/33/34/58/858333458.db2.gz ZIJYHYJQNDGDTQ-OALUTQOASA-N 2 1 381.520 3.653 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595013323 858350546 /nfs/dbraw/zinc/35/05/46/858350546.db2.gz RXZAQXLOQCLFNZ-YVEFUNNKSA-N 2 1 395.288 3.709 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553082 858360740 /nfs/dbraw/zinc/36/07/40/858360740.db2.gz MGIJXMRDAMKNGV-ZWKOTPCHSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553082 858360747 /nfs/dbraw/zinc/36/07/47/858360747.db2.gz MGIJXMRDAMKNGV-ZWKOTPCHSA-N 2 1 396.938 3.526 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000521913778 858441732 /nfs/dbraw/zinc/44/17/32/858441732.db2.gz IAAALBONXPVZAN-DYESRHJHSA-N 2 1 385.577 3.694 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000521913778 858441736 /nfs/dbraw/zinc/44/17/36/858441736.db2.gz IAAALBONXPVZAN-DYESRHJHSA-N 2 1 385.577 3.694 20 0 GHADMP COc1cc(-c2noc([C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443196240 858461109 /nfs/dbraw/zinc/46/11/09/858461109.db2.gz KTCYUNJGGHMQST-XHSDSOJGSA-N 2 1 388.512 3.619 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccco1 ZINC000521993322 858516939 /nfs/dbraw/zinc/51/69/39/858516939.db2.gz HQTSSXKPPJZTLC-NRFANRHFSA-N 2 1 398.551 3.758 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCc1ccccc1Br ZINC000543139617 858576975 /nfs/dbraw/zinc/57/69/75/858576975.db2.gz MVFZZLLIHAEVPQ-BHIYHBOVSA-N 2 1 381.358 3.565 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000522078665 858589579 /nfs/dbraw/zinc/58/95/79/858589579.db2.gz NLWOKPUAEXBORY-JJOUBASASA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000522078665 858589586 /nfs/dbraw/zinc/58/95/86/858589586.db2.gz NLWOKPUAEXBORY-JJOUBASASA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000522078665 858589595 /nfs/dbraw/zinc/58/95/95/858589595.db2.gz NLWOKPUAEXBORY-JJOUBASASA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000181932019 863058629 /nfs/dbraw/zinc/05/86/29/863058629.db2.gz XMXTWXVIMGSRAY-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)(C)c1ccccc1 ZINC000482645988 858719241 /nfs/dbraw/zinc/71/92/41/858719241.db2.gz YDRUIBUXGZEHDK-SIKLNZKXSA-N 2 1 393.575 3.840 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000657415846 858727817 /nfs/dbraw/zinc/72/78/17/858727817.db2.gz NTPPUVASNDGIDC-CTNGQTDRSA-N 3 1 375.520 3.658 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000657415846 858727824 /nfs/dbraw/zinc/72/78/24/858727824.db2.gz NTPPUVASNDGIDC-CTNGQTDRSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000657415846 858727835 /nfs/dbraw/zinc/72/78/35/858727835.db2.gz NTPPUVASNDGIDC-CTNGQTDRSA-N 2 1 375.520 3.658 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000181946177 863060788 /nfs/dbraw/zinc/06/07/88/863060788.db2.gz QEHKHSDXJFWNAA-ZWKOTPCHSA-N 2 1 383.540 3.805 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676712998 858773628 /nfs/dbraw/zinc/77/36/28/858773628.db2.gz XNKCFSWLTHJGJV-PTSWNOGYSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676712998 858773637 /nfs/dbraw/zinc/77/36/37/858773637.db2.gz XNKCFSWLTHJGJV-PTSWNOGYSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676712998 858773642 /nfs/dbraw/zinc/77/36/42/858773642.db2.gz XNKCFSWLTHJGJV-PTSWNOGYSA-N 2 1 399.362 3.682 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000522230156 858856227 /nfs/dbraw/zinc/85/62/27/858856227.db2.gz QYIOVINBCMGDIX-PMACEKPBSA-N 2 1 386.584 3.681 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc4ccc(C)cc4[nH]3)C2)ccn1 ZINC000856550065 881364363 /nfs/dbraw/zinc/36/43/63/881364363.db2.gz WLQKZYSNKADFAG-JOCHJYFZSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc4ccc(C)cc4[nH]3)C2)ccn1 ZINC000856550065 881364386 /nfs/dbraw/zinc/36/43/86/881364386.db2.gz WLQKZYSNKADFAG-JOCHJYFZSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc4ccc(C)cc4[nH]3)C2)ccn1 ZINC000856550065 881364407 /nfs/dbraw/zinc/36/44/07/881364407.db2.gz WLQKZYSNKADFAG-JOCHJYFZSA-N 2 1 378.520 3.976 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc4cc(OC)ccc4o3)C2)ccn1 ZINC000856552403 881374436 /nfs/dbraw/zinc/37/44/36/881374436.db2.gz MGUKHODYCJBGTO-OAQYLSRUSA-N 2 1 395.503 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc4cc(OC)ccc4o3)C2)ccn1 ZINC000856552403 881374458 /nfs/dbraw/zinc/37/44/58/881374458.db2.gz MGUKHODYCJBGTO-OAQYLSRUSA-N 2 1 395.503 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc4cc(OC)ccc4o3)C2)ccn1 ZINC000856552403 881374481 /nfs/dbraw/zinc/37/44/81/881374481.db2.gz MGUKHODYCJBGTO-OAQYLSRUSA-N 2 1 395.503 3.941 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc4ccccc4c3)C2)ccn1 ZINC000856552421 881374847 /nfs/dbraw/zinc/37/48/47/881374847.db2.gz BHOTZYDDUPZBQO-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc4ccccc4c3)C2)ccn1 ZINC000856552421 881374865 /nfs/dbraw/zinc/37/48/65/881374865.db2.gz BHOTZYDDUPZBQO-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc4ccccc4c3)C2)ccn1 ZINC000856552421 881374883 /nfs/dbraw/zinc/37/48/83/881374883.db2.gz BHOTZYDDUPZBQO-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000185661053 859113517 /nfs/dbraw/zinc/11/35/17/859113517.db2.gz LEWRRCHCLZLYFM-SHAYJTANSA-N 2 1 387.612 3.703 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000185661053 859113527 /nfs/dbraw/zinc/11/35/27/859113527.db2.gz LEWRRCHCLZLYFM-SHAYJTANSA-N 2 1 387.612 3.703 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc4cccnc43)C2)ccn1 ZINC000856553231 881383814 /nfs/dbraw/zinc/38/38/14/881383814.db2.gz KQMFIVWCHNVQQG-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc4cccnc43)C2)ccn1 ZINC000856553231 881383832 /nfs/dbraw/zinc/38/38/32/881383832.db2.gz KQMFIVWCHNVQQG-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc4cccnc43)C2)ccn1 ZINC000856553231 881383851 /nfs/dbraw/zinc/38/38/51/881383851.db2.gz KQMFIVWCHNVQQG-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000483141723 859178750 /nfs/dbraw/zinc/17/87/50/859178750.db2.gz SUZGWUNLNMYNMM-VCOUNFBDSA-N 2 1 377.548 3.521 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000483298779 859279008 /nfs/dbraw/zinc/27/90/08/859279008.db2.gz WDHXEIMZVMLSTK-UZLBHIALSA-N 2 1 389.490 3.683 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000483298779 859279017 /nfs/dbraw/zinc/27/90/17/859279017.db2.gz WDHXEIMZVMLSTK-UZLBHIALSA-N 2 1 389.490 3.683 20 0 GHADMP Fc1ccc2c(c1)OCCC[C@H]2NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429427573 859348774 /nfs/dbraw/zinc/34/87/74/859348774.db2.gz PDHOKPBQBHTACE-IFMALSPDSA-N 2 1 384.495 3.920 20 0 GHADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000429427573 859348783 /nfs/dbraw/zinc/34/87/83/859348783.db2.gz PDHOKPBQBHTACE-IFMALSPDSA-N 2 1 384.495 3.920 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1)c1cccc(Cl)c1 ZINC000923497023 859371925 /nfs/dbraw/zinc/37/19/25/859371925.db2.gz KAUZMGAFWWAPIS-DZGCQCFKSA-N 2 1 392.956 3.898 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cs1)c1cccc(Cl)c1 ZINC000923497023 859371937 /nfs/dbraw/zinc/37/19/37/859371937.db2.gz KAUZMGAFWWAPIS-DZGCQCFKSA-N 2 1 392.956 3.898 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558220 881415697 /nfs/dbraw/zinc/41/56/97/881415697.db2.gz CWUGDNYKMPTCHS-OAQYLSRUSA-N 2 1 399.583 3.606 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558220 881415883 /nfs/dbraw/zinc/41/58/83/881415883.db2.gz CWUGDNYKMPTCHS-OAQYLSRUSA-N 2 1 399.583 3.606 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cn(C)nc3C(C)(C)C)C2)ccn1 ZINC000856558220 881416106 /nfs/dbraw/zinc/41/61/06/881416106.db2.gz CWUGDNYKMPTCHS-OAQYLSRUSA-N 2 1 399.583 3.606 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501121 859413864 /nfs/dbraw/zinc/41/38/64/859413864.db2.gz DTUXZSYVESEGGB-JRSMBCBASA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501121 859413872 /nfs/dbraw/zinc/41/38/72/859413872.db2.gz DTUXZSYVESEGGB-JRSMBCBASA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501121 859413877 /nfs/dbraw/zinc/41/38/77/859413877.db2.gz DTUXZSYVESEGGB-JRSMBCBASA-N 2 1 383.580 3.547 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc2c(c1)CCCC2 ZINC000483501121 859413883 /nfs/dbraw/zinc/41/38/83/859413883.db2.gz DTUXZSYVESEGGB-JRSMBCBASA-N 2 1 383.580 3.547 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000626061428 859434698 /nfs/dbraw/zinc/43/46/98/859434698.db2.gz KEWOXRUMSUPENV-QGZVFWFLSA-N 2 1 399.535 3.615 20 0 GHADMP c1nc(C2CC2)c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000486934438 859534057 /nfs/dbraw/zinc/53/40/57/859534057.db2.gz BVPSOYVVHLWRKO-UHFFFAOYSA-N 2 1 384.593 3.708 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000483735919 859575394 /nfs/dbraw/zinc/57/53/94/859575394.db2.gz YXHKACWOMRZXOZ-HYBUGGRVSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735919 859575398 /nfs/dbraw/zinc/57/53/98/859575398.db2.gz YXHKACWOMRZXOZ-HYBUGGRVSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735919 859575405 /nfs/dbraw/zinc/57/54/05/859575405.db2.gz YXHKACWOMRZXOZ-HYBUGGRVSA-N 2 1 377.576 3.586 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C)nn(C(C)C)c3C)C2)ccn1 ZINC000895501024 859601475 /nfs/dbraw/zinc/60/14/75/859601475.db2.gz RQEAGBAIQYDRBB-NRFANRHFSA-N 2 1 385.556 3.581 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(C)nn(C(C)C)c3C)C2)ccn1 ZINC000895501024 859601485 /nfs/dbraw/zinc/60/14/85/859601485.db2.gz RQEAGBAIQYDRBB-NRFANRHFSA-N 2 1 385.556 3.581 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(C)nn(C(C)C)c3C)C2)ccn1 ZINC000895501024 859601492 /nfs/dbraw/zinc/60/14/92/859601492.db2.gz RQEAGBAIQYDRBB-NRFANRHFSA-N 2 1 385.556 3.581 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543429997 859690020 /nfs/dbraw/zinc/69/00/20/859690020.db2.gz WRRVOAJARZIXAX-IRFCIJBXSA-N 2 1 396.531 3.800 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466525426 859852049 /nfs/dbraw/zinc/85/20/49/859852049.db2.gz HZDWBDWWPBKHBC-UGKGYDQZSA-N 2 1 398.595 3.746 20 0 GHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(F)cc1 ZINC000512659518 859869463 /nfs/dbraw/zinc/86/94/63/859869463.db2.gz HRRKZHIGJAIZFL-STZQEDGTSA-N 2 1 381.495 3.655 20 0 GHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(F)cc1 ZINC000512659518 859869472 /nfs/dbraw/zinc/86/94/72/859869472.db2.gz HRRKZHIGJAIZFL-STZQEDGTSA-N 2 1 381.495 3.655 20 0 GHADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)C2)[C@@H]1C(C)C ZINC000922391523 859891086 /nfs/dbraw/zinc/89/10/86/859891086.db2.gz FFMXSFXLODOYRB-FTEYMNFISA-N 2 1 391.606 3.831 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000765402169 859955517 /nfs/dbraw/zinc/95/55/17/859955517.db2.gz UPBDYNNNCQMUKI-SQJMNOBHSA-N 2 1 395.591 3.906 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000765402164 859955583 /nfs/dbraw/zinc/95/55/83/859955583.db2.gz UPBDYNNNCQMUKI-BWKNWUBXSA-N 2 1 395.591 3.906 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000484511871 860062274 /nfs/dbraw/zinc/06/22/74/860062274.db2.gz QBEWLTMIGZWGHO-OIBXWCBGSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000484511871 860062283 /nfs/dbraw/zinc/06/22/83/860062283.db2.gz QBEWLTMIGZWGHO-OIBXWCBGSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602590206 860130798 /nfs/dbraw/zinc/13/07/98/860130798.db2.gz CLJNIEZRLPFQNL-UHFFFAOYSA-N 2 1 386.540 3.505 20 0 GHADMP Clc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(-n2cncn2)c1 ZINC000474467444 860166166 /nfs/dbraw/zinc/16/61/66/860166166.db2.gz FDSXUOOJOZQGEW-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168035758 860170090 /nfs/dbraw/zinc/17/00/90/860170090.db2.gz UWWHCRZTKAFSIX-XEMDLRDOSA-N 2 1 379.504 3.549 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035758 860170092 /nfs/dbraw/zinc/17/00/92/860170092.db2.gz UWWHCRZTKAFSIX-XEMDLRDOSA-N 2 1 379.504 3.549 20 0 GHADMP CC(C)[C@@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000474482459 860196591 /nfs/dbraw/zinc/19/65/91/860196591.db2.gz KZKYRPUKJGHIPQ-HSZRJFAPSA-N 2 1 379.548 3.604 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535656176 860262824 /nfs/dbraw/zinc/26/28/24/860262824.db2.gz VGZFSRNZMHGYOG-QOKNQOGYSA-N 2 1 398.954 3.501 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536175902 860270291 /nfs/dbraw/zinc/27/02/91/860270291.db2.gz XTFADIYWHSSLKK-IEBWSBKVSA-N 2 1 381.358 3.509 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000474611357 860493231 /nfs/dbraw/zinc/49/32/31/860493231.db2.gz JZZWVZJIHVLTRL-JOCHJYFZSA-N 2 1 383.511 3.923 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000474611357 860493238 /nfs/dbraw/zinc/49/32/38/860493238.db2.gz JZZWVZJIHVLTRL-JOCHJYFZSA-N 2 1 383.511 3.923 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000061016471 860577088 /nfs/dbraw/zinc/57/70/88/860577088.db2.gz SKYGRHUBPPWWBR-UHFFFAOYSA-N 2 1 375.520 3.898 20 0 GHADMP CCC(CC)(C[NH2+]C1CCN(c2cnccn2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000532232185 881557549 /nfs/dbraw/zinc/55/75/49/881557549.db2.gz NETWUYOXCIXGBF-IBGZPJMESA-N 2 1 381.568 3.945 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585932 881558151 /nfs/dbraw/zinc/55/81/51/881558151.db2.gz NOHUFASTDPJMGS-VQIMIIECSA-N 2 1 380.492 3.889 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585932 881558156 /nfs/dbraw/zinc/55/81/56/881558156.db2.gz NOHUFASTDPJMGS-VQIMIIECSA-N 2 1 380.492 3.889 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585932 881558160 /nfs/dbraw/zinc/55/81/60/881558160.db2.gz NOHUFASTDPJMGS-VQIMIIECSA-N 2 1 380.492 3.889 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040675 860634129 /nfs/dbraw/zinc/63/41/29/860634129.db2.gz OBGXITIAZIPYDI-YVCBRDFCSA-N 2 1 388.502 3.899 20 0 GHADMP CCc1noc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)n1 ZINC000922865321 860678022 /nfs/dbraw/zinc/67/80/22/860678022.db2.gz HSRJYEDVWFJCGH-XLIONFOSSA-N 2 1 386.515 3.704 20 0 GHADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000098129841 860734662 /nfs/dbraw/zinc/73/46/62/860734662.db2.gz PQERTUBCJRHUSR-KRWDZBQOSA-N 2 1 383.561 3.521 20 0 GHADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2sccc2C1 ZINC000098129841 860734674 /nfs/dbraw/zinc/73/46/74/860734674.db2.gz PQERTUBCJRHUSR-KRWDZBQOSA-N 2 1 383.561 3.521 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599788 881574700 /nfs/dbraw/zinc/57/47/00/881574700.db2.gz SPGVYEFRZPDTHB-UEVCKROQSA-N 2 1 389.584 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599788 881574717 /nfs/dbraw/zinc/57/47/17/881574717.db2.gz SPGVYEFRZPDTHB-UEVCKROQSA-N 2 1 389.584 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599788 881574734 /nfs/dbraw/zinc/57/47/34/881574734.db2.gz SPGVYEFRZPDTHB-UEVCKROQSA-N 2 1 389.584 3.970 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026890 860744267 /nfs/dbraw/zinc/74/42/67/860744267.db2.gz AINANYIREGOGCJ-UWJYYQICSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026890 860744272 /nfs/dbraw/zinc/74/42/72/860744272.db2.gz AINANYIREGOGCJ-UWJYYQICSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026890 860744281 /nfs/dbraw/zinc/74/42/81/860744281.db2.gz AINANYIREGOGCJ-UWJYYQICSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026890 860744287 /nfs/dbraw/zinc/74/42/87/860744287.db2.gz AINANYIREGOGCJ-UWJYYQICSA-N 2 1 380.960 3.539 20 0 GHADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603901 881579025 /nfs/dbraw/zinc/57/90/25/881579025.db2.gz GYCZEKDIPDVGDB-DNQXCXABSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856603901 881579040 /nfs/dbraw/zinc/57/90/40/881579040.db2.gz GYCZEKDIPDVGDB-DNQXCXABSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603901 881579053 /nfs/dbraw/zinc/57/90/53/881579053.db2.gz GYCZEKDIPDVGDB-DNQXCXABSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@@H](C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604355 881581083 /nfs/dbraw/zinc/58/10/83/881581083.db2.gz NEMPDZYMDXOOML-GOTSBHOMSA-N 2 1 383.536 3.763 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604355 881581095 /nfs/dbraw/zinc/58/10/95/881581095.db2.gz NEMPDZYMDXOOML-GOTSBHOMSA-N 2 1 383.536 3.763 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604355 881581111 /nfs/dbraw/zinc/58/11/11/881581111.db2.gz NEMPDZYMDXOOML-GOTSBHOMSA-N 2 1 383.536 3.763 20 0 GHADMP CCC[N@H+](C[C@@H](O)c1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477192 881587447 /nfs/dbraw/zinc/58/74/47/881587447.db2.gz PDKCZPDTHADYPW-OAQYLSRUSA-N 2 1 386.515 3.647 20 0 GHADMP CCC[N@@H+](C[C@@H](O)c1cccc(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477192 881587464 /nfs/dbraw/zinc/58/74/64/881587464.db2.gz PDKCZPDTHADYPW-OAQYLSRUSA-N 2 1 386.515 3.647 20 0 GHADMP Cc1cnc(CC[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(C)c1 ZINC000856606984 881585221 /nfs/dbraw/zinc/58/52/21/881585221.db2.gz RUWNGWNZKYGSLS-JOCHJYFZSA-N 2 1 382.552 3.629 20 0 GHADMP Cc1cnc(CC[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(C)c1 ZINC000856606984 881585225 /nfs/dbraw/zinc/58/52/25/881585225.db2.gz RUWNGWNZKYGSLS-JOCHJYFZSA-N 2 1 382.552 3.629 20 0 GHADMP Cc1cnc(CC[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(C)c1 ZINC000856606984 881585240 /nfs/dbraw/zinc/58/52/40/881585240.db2.gz RUWNGWNZKYGSLS-JOCHJYFZSA-N 2 1 382.552 3.629 20 0 GHADMP CO[C@@H](C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607165 881585771 /nfs/dbraw/zinc/58/57/71/881585771.db2.gz XGEOEJHPHOQRMP-VXKWHMMOSA-N 2 1 375.557 3.580 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607165 881585778 /nfs/dbraw/zinc/58/57/78/881585778.db2.gz XGEOEJHPHOQRMP-VXKWHMMOSA-N 2 1 375.557 3.580 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607165 881585783 /nfs/dbraw/zinc/58/57/83/881585783.db2.gz XGEOEJHPHOQRMP-VXKWHMMOSA-N 2 1 375.557 3.580 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000603597209 860911583 /nfs/dbraw/zinc/91/15/83/860911583.db2.gz JSKUTCOUMIQNHC-SFHVURJKSA-N 2 1 383.540 3.544 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CC1(C)C ZINC000623449842 861079670 /nfs/dbraw/zinc/07/96/70/861079670.db2.gz MQOUZROAOCZZQV-LJQANCHMSA-N 2 1 394.401 3.876 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000673648867 861082109 /nfs/dbraw/zinc/08/21/09/861082109.db2.gz PQUSYUYWHIXGTF-UHFFFAOYSA-N 2 1 383.455 3.671 20 0 GHADMP C[C@@H](C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000605510228 863092811 /nfs/dbraw/zinc/09/28/11/863092811.db2.gz NLMJIFJZSRWQKN-GBXCKJPGSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@@H](C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000605510228 863092823 /nfs/dbraw/zinc/09/28/23/863092823.db2.gz NLMJIFJZSRWQKN-GBXCKJPGSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000182228077 863156184 /nfs/dbraw/zinc/15/61/84/863156184.db2.gz DPSXHSLUIMJRME-DYESRHJHSA-N 2 1 385.527 3.699 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000482551177 863296481 /nfs/dbraw/zinc/29/64/81/863296481.db2.gz BEOSJUBQUAHZLI-AZUAARDMSA-N 2 1 381.520 3.717 20 0 GHADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000183029253 863450091 /nfs/dbraw/zinc/45/00/91/863450091.db2.gz JGILSPJZCUZWQP-LJQANCHMSA-N 2 1 397.485 3.659 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000062528455 863537120 /nfs/dbraw/zinc/53/71/20/863537120.db2.gz DTIFXKWCXZSGJD-UHFFFAOYSA-N 2 1 392.632 3.793 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccn3CCC(C)C)cc2)CC1 ZINC000606469295 863648291 /nfs/dbraw/zinc/64/82/91/863648291.db2.gz IDWFHNVHSXFNKV-UHFFFAOYSA-N 2 1 382.596 3.962 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)c2cccs2)CC1 ZINC000448582165 863858024 /nfs/dbraw/zinc/85/80/24/863858024.db2.gz NAKINGMMAJXPCV-LJQANCHMSA-N 2 1 395.532 3.532 20 0 GHADMP Fc1cccc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)c1 ZINC000158547785 863869782 /nfs/dbraw/zinc/86/97/82/863869782.db2.gz UXYYAPMEEMRLPN-QHCPKHFHSA-N 2 1 389.559 3.586 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C(C)C)cc1Cl ZINC000606936216 863972775 /nfs/dbraw/zinc/97/27/75/863972775.db2.gz FUMRIHMKBSKBLS-MOPGFXCFSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C(C)C)cc1Cl ZINC000606936216 863972786 /nfs/dbraw/zinc/97/27/86/863972786.db2.gz FUMRIHMKBSKBLS-MOPGFXCFSA-N 2 1 394.987 3.929 20 0 GHADMP C[C@@H]1CC([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054774 863984549 /nfs/dbraw/zinc/98/45/49/863984549.db2.gz BEQWHEIEOIWSDY-RMEPHLEKSA-N 2 1 399.579 3.979 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000159190945 864060227 /nfs/dbraw/zinc/06/02/27/864060227.db2.gz IFJHJUHXBQPBGF-SFHVURJKSA-N 2 1 397.357 3.753 20 0 GHADMP C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667621070 864060370 /nfs/dbraw/zinc/06/03/70/864060370.db2.gz ZDSLPUBMJLIRFM-LADGPHEKSA-N 2 1 380.532 3.808 20 0 GHADMP C[NH+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667621070 864060386 /nfs/dbraw/zinc/06/03/86/864060386.db2.gz ZDSLPUBMJLIRFM-LADGPHEKSA-N 2 1 380.532 3.808 20 0 GHADMP C[NH+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667621070 864060400 /nfs/dbraw/zinc/06/04/00/864060400.db2.gz ZDSLPUBMJLIRFM-LADGPHEKSA-N 2 1 380.532 3.808 20 0 GHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCC(F)(F)CC1 ZINC000554310738 864111967 /nfs/dbraw/zinc/11/19/67/864111967.db2.gz HQZFRAMTKXKJER-UHFFFAOYSA-N 2 1 397.535 3.684 20 0 GHADMP COc1cc2c(cc1F)[nH+]ccc2N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000480172032 864190725 /nfs/dbraw/zinc/19/07/25/864190725.db2.gz RNWZBNLQZVJDAX-AOMKIAJQSA-N 2 1 380.467 3.907 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000475120248 864222653 /nfs/dbraw/zinc/22/26/53/864222653.db2.gz QSZWKOKAUGKNLT-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000475120248 864222664 /nfs/dbraw/zinc/22/26/64/864222664.db2.gz QSZWKOKAUGKNLT-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475120248 864222671 /nfs/dbraw/zinc/22/26/71/864222671.db2.gz QSZWKOKAUGKNLT-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000734510738 864268728 /nfs/dbraw/zinc/26/87/28/864268728.db2.gz YWZGYJVALZTBEM-KDOFPFPSSA-N 2 1 390.597 3.843 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000480243852 864309767 /nfs/dbraw/zinc/30/97/67/864309767.db2.gz WKDQWNOQKTVKSP-IBGZPJMESA-N 2 1 377.532 3.912 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000480243852 864309775 /nfs/dbraw/zinc/30/97/75/864309775.db2.gz WKDQWNOQKTVKSP-IBGZPJMESA-N 2 1 377.532 3.912 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000607366283 864348980 /nfs/dbraw/zinc/34/89/80/864348980.db2.gz GLOBHZUTRHVJOC-DVECYGJZSA-N 2 1 398.547 3.599 20 0 GHADMP CC[C@@H](C)Oc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000607366283 864348988 /nfs/dbraw/zinc/34/89/88/864348988.db2.gz GLOBHZUTRHVJOC-DVECYGJZSA-N 2 1 398.547 3.599 20 0 GHADMP COc1cc(CCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000621742911 864397188 /nfs/dbraw/zinc/39/71/88/864397188.db2.gz AJGYXLZKRGBVAT-WIYYLYMNSA-N 2 1 398.547 3.842 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000163639761 864546429 /nfs/dbraw/zinc/54/64/29/864546429.db2.gz BAUNAXSOIWQPJP-JOCHJYFZSA-N 2 1 384.520 3.647 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000164232144 864601005 /nfs/dbraw/zinc/60/10/05/864601005.db2.gz GORAWTUBFVTQEG-MRXNPFEDSA-N 2 1 379.570 3.506 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000184552359 864680268 /nfs/dbraw/zinc/68/02/68/864680268.db2.gz QIUNEHLOMSQJSU-LEWJYISDSA-N 2 1 387.568 3.729 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cc(Br)ccc2o1 ZINC000667707172 864947653 /nfs/dbraw/zinc/94/76/53/864947653.db2.gz RUKLDUSXQVNTMI-SZVBFZGTSA-N 2 1 393.325 3.879 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cc(Br)ccc2o1 ZINC000667707172 864947662 /nfs/dbraw/zinc/94/76/62/864947662.db2.gz RUKLDUSXQVNTMI-SZVBFZGTSA-N 2 1 393.325 3.879 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480691009 865094000 /nfs/dbraw/zinc/09/40/00/865094000.db2.gz DLFIYPDJDHHNIB-WDSOQIARSA-N 2 1 376.566 3.680 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480691009 865094012 /nfs/dbraw/zinc/09/40/12/865094012.db2.gz DLFIYPDJDHHNIB-WDSOQIARSA-N 2 1 376.566 3.680 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480679479 865100551 /nfs/dbraw/zinc/10/05/51/865100551.db2.gz VEDAZJDYULKSRW-GBAAUQCPSA-N 2 1 387.612 3.796 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000667727530 865109236 /nfs/dbraw/zinc/10/92/36/865109236.db2.gz ALFFSKKMYMQRKA-GOSISDBHSA-N 2 1 392.425 3.560 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000667734966 865141130 /nfs/dbraw/zinc/14/11/30/865141130.db2.gz CTYQSRXSZCYTIM-WOJBJXKFSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000667734966 865141132 /nfs/dbraw/zinc/14/11/32/865141132.db2.gz CTYQSRXSZCYTIM-WOJBJXKFSA-N 2 1 388.462 3.769 20 0 GHADMP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)c1 ZINC000301162481 865198811 /nfs/dbraw/zinc/19/88/11/865198811.db2.gz BWCOEJJXZYWGGW-UHFFFAOYSA-N 2 1 399.292 3.728 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000480746529 865216915 /nfs/dbraw/zinc/21/69/15/865216915.db2.gz RNDQCGRGGLCARS-SFHVURJKSA-N 2 1 385.321 3.740 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000480781485 865258374 /nfs/dbraw/zinc/25/83/74/865258374.db2.gz SFYORTLXPAVNRJ-WMZHIEFXSA-N 2 1 397.563 3.733 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)C[C@@H]3C(C)C)c2c1C ZINC000301371962 865318313 /nfs/dbraw/zinc/31/83/13/865318313.db2.gz QNSYYSZSIVVYRK-QGZVFWFLSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)C[C@@H]3C(C)C)c2c1C ZINC000301371962 865318331 /nfs/dbraw/zinc/31/83/31/865318331.db2.gz QNSYYSZSIVVYRK-QGZVFWFLSA-N 2 1 387.597 3.680 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000920180240 881858469 /nfs/dbraw/zinc/85/84/69/881858469.db2.gz RENLEYJHDNYUMX-PMACEKPBSA-N 2 1 396.579 3.529 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2c1C ZINC000301706742 865502446 /nfs/dbraw/zinc/50/24/46/865502446.db2.gz GLYACDTXPDEVMC-MSOLQXFVSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2c1C ZINC000301706742 865502458 /nfs/dbraw/zinc/50/24/58/865502458.db2.gz GLYACDTXPDEVMC-MSOLQXFVSA-N 2 1 399.608 3.824 20 0 GHADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302215446 865770037 /nfs/dbraw/zinc/77/00/37/865770037.db2.gz IYILYUHLORMSRO-KBXCAEBGSA-N 2 1 392.425 3.694 20 0 GHADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302215446 865770042 /nfs/dbraw/zinc/77/00/42/865770042.db2.gz IYILYUHLORMSRO-KBXCAEBGSA-N 2 1 392.425 3.694 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000481163153 865899606 /nfs/dbraw/zinc/89/96/06/865899606.db2.gz DTDUIIBLFNYRLH-YMPZKCBVSA-N 2 1 382.548 3.543 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000481177279 865929176 /nfs/dbraw/zinc/92/91/76/865929176.db2.gz TZPQRPLWLKPEKV-KGVIQGDOSA-N 2 1 383.511 3.503 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1 ZINC000481177279 865929185 /nfs/dbraw/zinc/92/91/85/865929185.db2.gz TZPQRPLWLKPEKV-KGVIQGDOSA-N 2 1 383.511 3.503 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481190053 865972437 /nfs/dbraw/zinc/97/24/37/865972437.db2.gz LEDHABZGJLDXEM-NPPFBWRTSA-N 2 1 381.520 3.522 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481190053 865972448 /nfs/dbraw/zinc/97/24/48/865972448.db2.gz LEDHABZGJLDXEM-NPPFBWRTSA-N 2 1 381.520 3.522 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000667850031 866097009 /nfs/dbraw/zinc/09/70/09/866097009.db2.gz YGBZUQVKTQGYBN-WWPVKYPJSA-N 2 1 390.531 3.712 20 0 GHADMP CN1Cc2ccccc2[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000623235866 866117357 /nfs/dbraw/zinc/11/73/57/866117357.db2.gz DWVGWGJROUNABS-YDPRHXJPSA-N 2 1 377.532 3.733 20 0 GHADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)cc1 ZINC000011080483 866304628 /nfs/dbraw/zinc/30/46/28/866304628.db2.gz AUFGFDKVHIJWPX-JOCHJYFZSA-N 2 1 383.511 3.777 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000534219828 866323386 /nfs/dbraw/zinc/32/33/86/866323386.db2.gz NIJYJNWWSKOXPY-QGZVFWFLSA-N 2 1 381.307 3.992 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000534219828 866323405 /nfs/dbraw/zinc/32/34/05/866323405.db2.gz NIJYJNWWSKOXPY-QGZVFWFLSA-N 2 1 381.307 3.992 20 0 GHADMP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534225137 866334765 /nfs/dbraw/zinc/33/47/65/866334765.db2.gz FKABCQNLMLVUSP-HSZRJFAPSA-N 2 1 391.559 3.804 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000552871325 866359644 /nfs/dbraw/zinc/35/96/44/866359644.db2.gz CRVYLTQPDXBSHV-NRFANRHFSA-N 2 1 377.488 3.602 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000478626703 866379694 /nfs/dbraw/zinc/37/96/94/866379694.db2.gz XSFYDOUMAANKAH-OFNKIYASSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000478626703 866379733 /nfs/dbraw/zinc/37/97/33/866379733.db2.gz XSFYDOUMAANKAH-OFNKIYASSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000478626703 866379739 /nfs/dbraw/zinc/37/97/39/866379739.db2.gz XSFYDOUMAANKAH-OFNKIYASSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000478626703 866379744 /nfs/dbraw/zinc/37/97/44/866379744.db2.gz XSFYDOUMAANKAH-OFNKIYASSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2)CC1 ZINC000639758066 866393055 /nfs/dbraw/zinc/39/30/55/866393055.db2.gz RNRGTDMPSRHPQP-UHFFFAOYSA-N 2 1 389.849 3.715 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)CC1 ZINC000552906282 866471695 /nfs/dbraw/zinc/47/16/95/866471695.db2.gz VFQQCMZWNDLRCM-UHFFFAOYSA-N 2 1 387.543 3.513 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000552999066 866604449 /nfs/dbraw/zinc/60/44/49/866604449.db2.gz UBRYNAKWYSNHME-NPPFBWRTSA-N 2 1 394.563 3.548 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(OC)c1 ZINC000127293828 866811904 /nfs/dbraw/zinc/81/19/04/866811904.db2.gz HIEVSXFLKIPPDM-JLHGSKIFSA-N 2 1 391.556 3.521 20 0 GHADMP CN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000553156286 866916011 /nfs/dbraw/zinc/91/60/11/866916011.db2.gz ZIZASTZXKWKAPY-VSGJHWFKSA-N 2 1 391.559 3.772 20 0 GHADMP CN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000553156286 866916021 /nfs/dbraw/zinc/91/60/21/866916021.db2.gz ZIZASTZXKWKAPY-VSGJHWFKSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000153684532 867024367 /nfs/dbraw/zinc/02/43/67/867024367.db2.gz ABTMCYLMLSXADR-QPPBQGQZSA-N 3 1 392.591 3.581 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000153901729 867145605 /nfs/dbraw/zinc/14/56/05/867145605.db2.gz LKNICHKPBQNGOM-ROUUACIJSA-N 2 1 399.501 3.575 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000153906421 867147898 /nfs/dbraw/zinc/14/78/98/867147898.db2.gz IGUSOKJTSVRFLN-OYRHEFFESA-N 2 1 381.564 3.709 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000153906421 867147912 /nfs/dbraw/zinc/14/79/12/867147912.db2.gz IGUSOKJTSVRFLN-OYRHEFFESA-N 2 1 381.564 3.709 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3ccccc3C)CC2)CC1 ZINC000553355898 867256518 /nfs/dbraw/zinc/25/65/18/867256518.db2.gz MKXIQQBHNBSMNN-QHCPKHFHSA-N 2 1 383.580 3.855 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)[C@H](C)C1 ZINC000429787848 867334179 /nfs/dbraw/zinc/33/41/79/867334179.db2.gz XNGNYLMSECOIHG-UCFCWBNQSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)[C@H](C)C1 ZINC000429787848 867334194 /nfs/dbraw/zinc/33/41/94/867334194.db2.gz XNGNYLMSECOIHG-UCFCWBNQSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)[C@H](C)C1 ZINC000429787848 867334202 /nfs/dbraw/zinc/33/42/02/867334202.db2.gz XNGNYLMSECOIHG-UCFCWBNQSA-N 2 1 382.548 3.755 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772833 867462462 /nfs/dbraw/zinc/46/24/62/867462462.db2.gz PGEWNRPTZSTHOQ-GGAORHGYSA-N 2 1 394.563 3.501 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)Cc2ccco2)C1 ZINC000553479560 867488217 /nfs/dbraw/zinc/48/82/17/867488217.db2.gz XKCJDLGSSXHAKG-FPOVZHCZSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000553479560 867488223 /nfs/dbraw/zinc/48/82/23/867488223.db2.gz XKCJDLGSSXHAKG-FPOVZHCZSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000553479560 867488236 /nfs/dbraw/zinc/48/82/36/867488236.db2.gz XKCJDLGSSXHAKG-FPOVZHCZSA-N 2 1 398.551 3.578 20 0 GHADMP CN(CCC[NH+](C)C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000553491928 867505582 /nfs/dbraw/zinc/50/55/82/867505582.db2.gz SOOUKGADRGNLFH-UHFFFAOYSA-N 2 1 383.565 3.808 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479310185 867531455 /nfs/dbraw/zinc/53/14/55/867531455.db2.gz GKNGHLGORABSAM-GOSISDBHSA-N 2 1 381.358 3.872 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000154851954 867630670 /nfs/dbraw/zinc/63/06/70/867630670.db2.gz ORVDWUXQDHFNGI-ZIAGYGMSSA-N 2 1 375.340 3.850 20 0 GHADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444949 867814432 /nfs/dbraw/zinc/81/44/32/867814432.db2.gz KNFHDBFVWQWWJQ-WMZHIEFXSA-N 2 1 379.548 3.538 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000479528735 867926085 /nfs/dbraw/zinc/92/60/85/867926085.db2.gz JTERTYDXGWAXQJ-CTNGQTDRSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000479528735 867926101 /nfs/dbraw/zinc/92/61/01/867926101.db2.gz JTERTYDXGWAXQJ-CTNGQTDRSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000479528735 867926117 /nfs/dbraw/zinc/92/61/17/867926117.db2.gz JTERTYDXGWAXQJ-CTNGQTDRSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000523851279 868096579 /nfs/dbraw/zinc/09/65/79/868096579.db2.gz NEILLSQLZYVBEF-CVDCTZTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000523851279 868096595 /nfs/dbraw/zinc/09/65/95/868096595.db2.gz NEILLSQLZYVBEF-CVDCTZTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000502849165 868278805 /nfs/dbraw/zinc/27/88/05/868278805.db2.gz WSQVKBHNHFEKTL-HKBOAZHASA-N 2 1 380.621 3.556 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C2CCC2)[NH+]2CCCCC2)cc1 ZINC000479668309 868296934 /nfs/dbraw/zinc/29/69/34/868296934.db2.gz TYSJTZFMIPRHIC-XZOQPEGZSA-N 2 1 399.579 3.603 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000121635212 882193486 /nfs/dbraw/zinc/19/34/86/882193486.db2.gz UDUFBQIBPDGDAX-UHFFFAOYSA-N 2 1 379.548 3.880 20 0 GHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156972045 868516868 /nfs/dbraw/zinc/51/68/68/868516868.db2.gz QUXBVKXTTORFMS-GCJKJVERSA-N 2 1 397.538 3.634 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000457648896 868545350 /nfs/dbraw/zinc/54/53/50/868545350.db2.gz LCNWBZDIXLJEDP-JOCHJYFZSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457647700 868568315 /nfs/dbraw/zinc/56/83/15/868568315.db2.gz JRALRENIPDTWGE-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000457649410 868574420 /nfs/dbraw/zinc/57/44/20/868574420.db2.gz LNEJMPWAAVGLLE-YKSBVNFPSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000457649410 868574427 /nfs/dbraw/zinc/57/44/27/868574427.db2.gz LNEJMPWAAVGLLE-YKSBVNFPSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000457649410 868574435 /nfs/dbraw/zinc/57/44/35/868574435.db2.gz LNEJMPWAAVGLLE-YKSBVNFPSA-N 2 1 398.595 3.688 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000121734007 882242151 /nfs/dbraw/zinc/24/21/51/882242151.db2.gz UNWKSNNNTGVQND-MSOLQXFVSA-N 2 1 383.540 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000121733865 882242668 /nfs/dbraw/zinc/24/26/68/882242668.db2.gz UNWKSNNNTGVQND-QZTJIDSGSA-N 2 1 383.540 3.663 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379624807 869035220 /nfs/dbraw/zinc/03/52/20/869035220.db2.gz JWEFCZXEHKVPGY-LXZJYRNTSA-N 2 1 375.557 3.931 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379624807 869035226 /nfs/dbraw/zinc/03/52/26/869035226.db2.gz JWEFCZXEHKVPGY-LXZJYRNTSA-N 2 1 375.557 3.931 20 0 GHADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418110258 869756799 /nfs/dbraw/zinc/75/67/99/869756799.db2.gz WBHUVVMGAYNIML-NZQKXSOJSA-N 2 1 394.563 3.631 20 0 GHADMP C[C@H](Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462855830 870213472 /nfs/dbraw/zinc/21/34/72/870213472.db2.gz CZMQFZANXVJPBV-KWOQKUFVSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CC[C@H](O)C2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462855830 870213481 /nfs/dbraw/zinc/21/34/81/870213481.db2.gz CZMQFZANXVJPBV-KWOQKUFVSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CC[C@H](O)C2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462855830 870213495 /nfs/dbraw/zinc/21/34/95/870213495.db2.gz CZMQFZANXVJPBV-KWOQKUFVSA-N 2 1 379.548 3.576 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000461468018 870251531 /nfs/dbraw/zinc/25/15/31/870251531.db2.gz FXCLGHHSGPZXDV-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000461468018 870251543 /nfs/dbraw/zinc/25/15/43/870251543.db2.gz FXCLGHHSGPZXDV-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461468018 870251556 /nfs/dbraw/zinc/25/15/56/870251556.db2.gz FXCLGHHSGPZXDV-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461468018 870251570 /nfs/dbraw/zinc/25/15/70/870251570.db2.gz FXCLGHHSGPZXDV-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000173948507 882397954 /nfs/dbraw/zinc/39/79/54/882397954.db2.gz VGQPWQLXYQBDJD-GOSISDBHSA-N 2 1 384.524 3.683 20 0 GHADMP CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000248386987 870355174 /nfs/dbraw/zinc/35/51/74/870355174.db2.gz ONGYBDDELXGFKX-DHIUTWEWSA-N 2 1 383.580 3.585 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000538718580 870407583 /nfs/dbraw/zinc/40/75/83/870407583.db2.gz AOTLMLVWRDKUNU-GHTZIAJQSA-N 2 1 383.536 3.974 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000538718580 870407594 /nfs/dbraw/zinc/40/75/94/870407594.db2.gz AOTLMLVWRDKUNU-GHTZIAJQSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000538718580 870407605 /nfs/dbraw/zinc/40/76/05/870407605.db2.gz AOTLMLVWRDKUNU-GHTZIAJQSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000538718580 870407612 /nfs/dbraw/zinc/40/76/12/870407612.db2.gz AOTLMLVWRDKUNU-GHTZIAJQSA-N 2 1 383.536 3.974 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000538772977 870584804 /nfs/dbraw/zinc/58/48/04/870584804.db2.gz UJHVXCSZELMNFC-NRFANRHFSA-N 2 1 386.584 3.767 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001192902101 870758339 /nfs/dbraw/zinc/75/83/39/870758339.db2.gz RAFBACYUUPUXEP-TZIWHRDSSA-N 2 1 390.591 3.881 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001192902101 870758349 /nfs/dbraw/zinc/75/83/49/870758349.db2.gz RAFBACYUUPUXEP-TZIWHRDSSA-N 2 1 390.591 3.881 20 0 GHADMP Cc1[nH]c2ccccc2c1C[C@@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001212336296 870786233 /nfs/dbraw/zinc/78/62/33/870786233.db2.gz ZSDSZFAYPLVYGK-LJQANCHMSA-N 2 1 375.476 3.830 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022994 870851697 /nfs/dbraw/zinc/85/16/97/870851697.db2.gz YIEUNBCNRAANBX-RPWUZVMVSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022994 870851710 /nfs/dbraw/zinc/85/17/10/870851710.db2.gz YIEUNBCNRAANBX-RPWUZVMVSA-N 2 1 391.559 3.599 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022994 870851716 /nfs/dbraw/zinc/85/17/16/870851716.db2.gz YIEUNBCNRAANBX-RPWUZVMVSA-N 2 1 391.559 3.599 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@H](N2CCCC2=O)C1)c1ccccc1 ZINC001193022994 870851727 /nfs/dbraw/zinc/85/17/27/870851727.db2.gz YIEUNBCNRAANBX-RPWUZVMVSA-N 2 1 391.559 3.599 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCC[C@@H](C)C4)CC3)C2=O)cc1 ZINC000249517937 870854406 /nfs/dbraw/zinc/85/44/06/870854406.db2.gz KLISWCDXUAHZRS-PTUXOGIPSA-N 2 1 383.580 3.729 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1OC ZINC000463111414 870906738 /nfs/dbraw/zinc/90/67/38/870906738.db2.gz PFYRJQGDZOMBQY-GHTZIAJQSA-N 2 1 398.547 3.898 20 0 GHADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1OC ZINC000463111414 870906747 /nfs/dbraw/zinc/90/67/47/870906747.db2.gz PFYRJQGDZOMBQY-GHTZIAJQSA-N 2 1 398.547 3.898 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870567 870921279 /nfs/dbraw/zinc/92/12/79/870921279.db2.gz CVFMUIFRYYUADT-HMXCVIKNSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870567 870921285 /nfs/dbraw/zinc/92/12/85/870921285.db2.gz CVFMUIFRYYUADT-HMXCVIKNSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870567 870921292 /nfs/dbraw/zinc/92/12/92/870921292.db2.gz CVFMUIFRYYUADT-HMXCVIKNSA-N 2 1 387.568 3.838 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1nc3ccc(C[N@@H+](C)C4CC4)cc3s1)C2 ZINC000617865847 870972615 /nfs/dbraw/zinc/97/26/15/870972615.db2.gz SPEVOBJDONPJBS-OAHLLOKOSA-N 2 1 395.532 3.597 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1nc3ccc(C[N@H+](C)C4CC4)cc3s1)C2 ZINC000617865847 870972627 /nfs/dbraw/zinc/97/26/27/870972627.db2.gz SPEVOBJDONPJBS-OAHLLOKOSA-N 2 1 395.532 3.597 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCN(CC(F)F)CC3)cc2)C1 ZINC000463138387 870988596 /nfs/dbraw/zinc/98/85/96/870988596.db2.gz WFGSYYMOXQRBRV-HDICACEKSA-N 2 1 379.539 3.984 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001193354942 871041825 /nfs/dbraw/zinc/04/18/25/871041825.db2.gz KIKXZTNEAUUQNH-SFHVURJKSA-N 2 1 383.458 3.780 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001193354942 871041852 /nfs/dbraw/zinc/04/18/52/871041852.db2.gz KIKXZTNEAUUQNH-SFHVURJKSA-N 2 1 383.458 3.780 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463205294 871131908 /nfs/dbraw/zinc/13/19/08/871131908.db2.gz MOFYLOMMGLUPAI-FCEUIQTBSA-N 2 1 379.548 3.917 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000463205294 871131914 /nfs/dbraw/zinc/13/19/14/871131914.db2.gz MOFYLOMMGLUPAI-FCEUIQTBSA-N 2 1 379.548 3.917 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039680 871155514 /nfs/dbraw/zinc/15/55/14/871155514.db2.gz YJOQONPFLIQZCM-YKSBVNFPSA-N 3 1 378.564 3.798 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000539039680 871155525 /nfs/dbraw/zinc/15/55/25/871155525.db2.gz YJOQONPFLIQZCM-YKSBVNFPSA-N 2 1 378.564 3.798 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000540393706 871163637 /nfs/dbraw/zinc/16/36/37/871163637.db2.gz NTQWPLIXHJWGKD-SLFFLAALSA-N 2 1 378.944 3.911 20 0 GHADMP Fc1cnccc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000449074164 871192829 /nfs/dbraw/zinc/19/28/29/871192829.db2.gz BOJZNBYDVALXHX-UHFFFAOYSA-N 2 1 390.506 3.833 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449122125 871209446 /nfs/dbraw/zinc/20/94/46/871209446.db2.gz KKCVSMOYNWJNOW-PXNSSMCTSA-N 2 1 377.960 3.508 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134021 871220562 /nfs/dbraw/zinc/22/05/62/871220562.db2.gz PHISCOOOPPYQGP-WOZUAGRISA-N 2 1 375.507 3.849 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000525697650 871222812 /nfs/dbraw/zinc/22/28/12/871222812.db2.gz QHPFDCKPPIYYRK-UHFFFAOYSA-N 2 1 391.519 3.592 20 0 GHADMP Cc1nc(C2CCCC2)sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000525704384 871236343 /nfs/dbraw/zinc/23/63/43/871236343.db2.gz LSTABQBRTVWJTB-UHFFFAOYSA-N 2 1 385.537 3.508 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC1 ZINC000252003725 871243687 /nfs/dbraw/zinc/24/36/87/871243687.db2.gz ZEIMGDRWXCGPIA-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000539075691 871266059 /nfs/dbraw/zinc/26/60/59/871266059.db2.gz FFZSWXYJDCTEQY-LAUBAEHRSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000539075691 871266074 /nfs/dbraw/zinc/26/60/74/871266074.db2.gz FFZSWXYJDCTEQY-LAUBAEHRSA-N 2 1 385.939 3.570 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160030 871272448 /nfs/dbraw/zinc/27/24/48/871272448.db2.gz AJCYZGNTKWCGLY-IYWMVGAKSA-N 2 1 377.573 3.866 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160030 871272463 /nfs/dbraw/zinc/27/24/63/871272463.db2.gz AJCYZGNTKWCGLY-IYWMVGAKSA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160030 871272476 /nfs/dbraw/zinc/27/24/76/871272476.db2.gz AJCYZGNTKWCGLY-IYWMVGAKSA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160030 871272483 /nfs/dbraw/zinc/27/24/83/871272483.db2.gz AJCYZGNTKWCGLY-IYWMVGAKSA-N 2 1 377.573 3.866 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000539201619 871492540 /nfs/dbraw/zinc/49/25/40/871492540.db2.gz ASQVSHCBPOOWNG-RTBURBONSA-N 2 1 381.358 3.583 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462040573 871496160 /nfs/dbraw/zinc/49/61/60/871496160.db2.gz QZFUPUQVOGRTON-JOCHJYFZSA-N 2 1 398.547 3.688 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CC[C@@H]1C[NH3+] ZINC001205653701 871505748 /nfs/dbraw/zinc/50/57/48/871505748.db2.gz UKFVJDXGJUAFLJ-WDEREUQCSA-N 2 1 380.252 3.670 20 0 GHADMP CC[NH+](CC)CCSCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000462058414 871532522 /nfs/dbraw/zinc/53/25/22/871532522.db2.gz XVHGJWJHGBUWJK-UHFFFAOYSA-N 2 1 399.604 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000540559903 871588530 /nfs/dbraw/zinc/58/85/30/871588530.db2.gz DYXYZGZKESEQAL-NRFANRHFSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000540559903 871588536 /nfs/dbraw/zinc/58/85/36/871588536.db2.gz DYXYZGZKESEQAL-NRFANRHFSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000540559903 871588539 /nfs/dbraw/zinc/58/85/39/871588539.db2.gz DYXYZGZKESEQAL-NRFANRHFSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000540559903 871588544 /nfs/dbraw/zinc/58/85/44/871588544.db2.gz DYXYZGZKESEQAL-NRFANRHFSA-N 2 1 397.588 3.928 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC001169556851 871636019 /nfs/dbraw/zinc/63/60/19/871636019.db2.gz USFCVSZGLMVXND-QFBILLFUSA-N 2 1 388.474 3.854 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462188679 871752310 /nfs/dbraw/zinc/75/23/10/871752310.db2.gz LLMWVNFPNSSEQF-XXBNENTESA-N 2 1 379.548 3.779 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001169769269 871859153 /nfs/dbraw/zinc/85/91/53/871859153.db2.gz GBMAPSULHBDFAN-JOCHJYFZSA-N 2 1 381.564 3.632 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001169769269 871859168 /nfs/dbraw/zinc/85/91/68/871859168.db2.gz GBMAPSULHBDFAN-JOCHJYFZSA-N 2 1 381.564 3.632 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCCC4(C3)OCCO4)C[C@@H]21 ZINC001169946009 872046878 /nfs/dbraw/zinc/04/68/78/872046878.db2.gz SDZQSEZBBUEBQP-RMVXJAJNSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@@H]21 ZINC001169946009 872046900 /nfs/dbraw/zinc/04/69/00/872046900.db2.gz SDZQSEZBBUEBQP-RMVXJAJNSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCCC4(C3)OCCO4)C[C@@H]21 ZINC001169946009 872046921 /nfs/dbraw/zinc/04/69/21/872046921.db2.gz SDZQSEZBBUEBQP-RMVXJAJNSA-N 2 1 390.593 3.966 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(c2ncc3n2CCCC3)CC1)c1ccccc1 ZINC000447681452 872090657 /nfs/dbraw/zinc/09/06/57/872090657.db2.gz ZNSRFNTWOXHGNQ-NRFANRHFSA-N 2 1 380.536 3.618 20 0 GHADMP CCN(C)[C@H](C(=O)N1CCC(c2ncc3n2CCCC3)CC1)c1ccccc1 ZINC000447681452 872090684 /nfs/dbraw/zinc/09/06/84/872090684.db2.gz ZNSRFNTWOXHGNQ-NRFANRHFSA-N 2 1 380.536 3.618 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000667261994 872174723 /nfs/dbraw/zinc/17/47/23/872174723.db2.gz PJBGEPQGJKZDRD-QFIPXVFZSA-N 2 1 388.515 3.677 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552199502 872194067 /nfs/dbraw/zinc/19/40/67/872194067.db2.gz ZUJMZNLFLSTEDA-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000552282394 872343133 /nfs/dbraw/zinc/34/31/33/872343133.db2.gz CKFUJXCBGCJURL-KSZLIROESA-N 2 1 381.358 3.853 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(c4ccco4)CC3)CC2)cc1 ZINC001195939278 872740145 /nfs/dbraw/zinc/74/01/45/872740145.db2.gz ZUEOFFVMDNHCJO-UHFFFAOYSA-N 2 1 395.547 3.502 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(c4ccco4)CC3)CC2)cc1 ZINC001195939278 872740155 /nfs/dbraw/zinc/74/01/55/872740155.db2.gz ZUEOFFVMDNHCJO-UHFFFAOYSA-N 2 1 395.547 3.502 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000478283517 872799569 /nfs/dbraw/zinc/79/95/69/872799569.db2.gz HIKMCGSPROQOLZ-MDASCCDHSA-N 2 1 381.511 3.772 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000478283517 872799578 /nfs/dbraw/zinc/79/95/78/872799578.db2.gz HIKMCGSPROQOLZ-MDASCCDHSA-N 2 1 381.511 3.772 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC(C)(C)CCC3(C)C)CC2)cc1 ZINC001196276926 873011916 /nfs/dbraw/zinc/01/19/16/873011916.db2.gz XRQROTBENCELEA-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000122727331 882677951 /nfs/dbraw/zinc/67/79/51/882677951.db2.gz QJGIBBVYFFNESW-HOTGVXAUSA-N 2 1 381.948 3.920 20 0 GHADMP C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001196674863 873302836 /nfs/dbraw/zinc/30/28/36/873302836.db2.gz JTOPDFMULVXWHM-XJABCFGWSA-N 2 1 389.971 3.858 20 0 GHADMP C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001196674863 873302854 /nfs/dbraw/zinc/30/28/54/873302854.db2.gz JTOPDFMULVXWHM-XJABCFGWSA-N 2 1 389.971 3.858 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)c(F)c1 ZINC000768512615 873347045 /nfs/dbraw/zinc/34/70/45/873347045.db2.gz SANCYWPBZNFTCY-CZUORRHYSA-N 2 1 385.321 3.882 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ncc(Br)cc2F)cc1 ZINC000527652517 873404431 /nfs/dbraw/zinc/40/44/31/873404431.db2.gz GZSGISOPZGCDAH-UHFFFAOYSA-N 2 1 396.304 3.604 20 0 GHADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541422239 873530370 /nfs/dbraw/zinc/53/03/70/873530370.db2.gz DYSILWCXOGIPFF-CTNGQTDRSA-N 2 1 398.595 3.684 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541422239 873530387 /nfs/dbraw/zinc/53/03/87/873530387.db2.gz DYSILWCXOGIPFF-CTNGQTDRSA-N 2 1 398.595 3.684 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030891 873752658 /nfs/dbraw/zinc/75/26/58/873752658.db2.gz IJZDCUBYHLEPAV-PMACEKPBSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030891 873752662 /nfs/dbraw/zinc/75/26/62/873752662.db2.gz IJZDCUBYHLEPAV-PMACEKPBSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030891 873752678 /nfs/dbraw/zinc/75/26/78/873752678.db2.gz IJZDCUBYHLEPAV-PMACEKPBSA-N 2 1 392.975 3.601 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527946258 873791312 /nfs/dbraw/zinc/79/13/12/873791312.db2.gz HFUPLCJZVSYOHD-UZLBHIALSA-N 2 1 379.570 3.506 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527946258 873791318 /nfs/dbraw/zinc/79/13/18/873791318.db2.gz HFUPLCJZVSYOHD-UZLBHIALSA-N 2 1 379.570 3.506 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000528290475 874343866 /nfs/dbraw/zinc/34/38/66/874343866.db2.gz XPLWVORBGADKQB-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528290475 874343878 /nfs/dbraw/zinc/34/38/78/874343878.db2.gz XPLWVORBGADKQB-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528290475 874343892 /nfs/dbraw/zinc/34/38/92/874343892.db2.gz XPLWVORBGADKQB-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464770402 874432197 /nfs/dbraw/zinc/43/21/97/874432197.db2.gz KBRHLFJQTBSIGL-JOCHJYFZSA-N 2 1 391.575 3.704 20 0 GHADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000541909325 874508699 /nfs/dbraw/zinc/50/86/99/874508699.db2.gz HGDCASLNKXLWCS-IFMALSPDSA-N 2 1 391.506 3.623 20 0 GHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449141883 874530393 /nfs/dbraw/zinc/53/03/93/874530393.db2.gz RKVFSPTXCPAEFT-QZTJIDSGSA-N 2 1 380.598 3.684 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449141883 874530403 /nfs/dbraw/zinc/53/04/03/874530403.db2.gz RKVFSPTXCPAEFT-QZTJIDSGSA-N 2 1 380.598 3.684 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541982812 874700793 /nfs/dbraw/zinc/70/07/93/874700793.db2.gz BLEMBVPQDLMAEM-HSZRJFAPSA-N 2 1 377.576 3.541 20 0 GHADMP Brc1ccc(-n2cc(C[NH2+]CCC[NH+]3CCCCC3)cn2)cc1 ZINC001199037635 874768851 /nfs/dbraw/zinc/76/88/51/874768851.db2.gz AWBMFSPYIJLSLW-UHFFFAOYSA-N 2 1 377.330 3.600 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC001199136834 874816185 /nfs/dbraw/zinc/81/61/85/874816185.db2.gz OLOORSZMENLSGT-UHFFFAOYSA-N 2 1 383.536 3.632 20 0 GHADMP C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730000 882872980 /nfs/dbraw/zinc/87/29/80/882872980.db2.gz PFKQIRQWFNLINM-URXFXBBRSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000168509461 874926360 /nfs/dbraw/zinc/92/63/60/874926360.db2.gz IENODLIBPQHWIZ-VNHKHXMHSA-N 2 1 379.548 3.834 20 0 GHADMP CCN1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542106824 874968458 /nfs/dbraw/zinc/96/84/58/874968458.db2.gz VQVGKPJQQSEERP-PZJWPPBQSA-N 2 1 381.486 3.703 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000542151166 875045236 /nfs/dbraw/zinc/04/52/36/875045236.db2.gz CNBQXOKFNRHQOS-FQEVSTJZSA-N 2 1 394.401 3.690 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC001170024720 875194857 /nfs/dbraw/zinc/19/48/57/875194857.db2.gz BXBFPRCXQCOCKQ-XMMPIXPASA-N 2 1 391.559 3.905 20 0 GHADMP O[C@H](C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000776034096 875252099 /nfs/dbraw/zinc/25/20/99/875252099.db2.gz PUIYUBACLUMLMT-RHSMWYFYSA-N 2 1 376.850 3.856 20 0 GHADMP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000465199482 875310717 /nfs/dbraw/zinc/31/07/17/875310717.db2.gz XSKPOZRTDOLFKI-AVRDEDQJSA-N 2 1 381.520 3.649 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000465199482 875310734 /nfs/dbraw/zinc/31/07/34/875310734.db2.gz XSKPOZRTDOLFKI-AVRDEDQJSA-N 2 1 381.520 3.649 20 0 GHADMP c1cc([C@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000105570188 875339833 /nfs/dbraw/zinc/33/98/33/875339833.db2.gz AHNXQMANYIZMJO-PMACEKPBSA-N 2 1 384.572 3.752 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)sc2C1 ZINC000542389013 875490523 /nfs/dbraw/zinc/49/05/23/875490523.db2.gz AZUJXJNWUZTLEE-LJQANCHMSA-N 2 1 398.576 3.903 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCCCN3Cc3ccccc3)sc2C1 ZINC000542389013 875490526 /nfs/dbraw/zinc/49/05/26/875490526.db2.gz AZUJXJNWUZTLEE-LJQANCHMSA-N 2 1 398.576 3.903 20 0 GHADMP CCCCC[NH+]1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001201731891 875856553 /nfs/dbraw/zinc/85/65/53/875856553.db2.gz XKAUBEGDSGBKMI-OAQYLSRUSA-N 2 1 397.607 3.862 20 0 GHADMP C[C@@H]1CC[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000450061490 875882220 /nfs/dbraw/zinc/88/22/20/875882220.db2.gz QDMDAKJUWRKJGS-DYXWJJEUSA-N 2 1 377.617 3.713 20 0 GHADMP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000475744036 882981219 /nfs/dbraw/zinc/98/12/19/882981219.db2.gz ACTGBUUXYLMMND-KURKYZTESA-N 2 1 375.582 3.540 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000491902506 876019228 /nfs/dbraw/zinc/01/92/28/876019228.db2.gz SBYBITOOBZHSQO-LJQANCHMSA-N 2 1 375.582 3.747 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000542495117 883004943 /nfs/dbraw/zinc/00/49/43/883004943.db2.gz UWINMKFZOGCSCK-JKSBSHDWSA-N 2 1 389.490 3.928 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000542495117 883004964 /nfs/dbraw/zinc/00/49/64/883004964.db2.gz UWINMKFZOGCSCK-JKSBSHDWSA-N 2 1 389.490 3.928 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000173402535 876364664 /nfs/dbraw/zinc/36/46/64/876364664.db2.gz JRHKPUNZTKWSNP-CEXWTWQISA-N 2 1 392.613 3.645 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCN(c4ccccc4F)C3)CC2)cc1 ZINC000492176713 876379759 /nfs/dbraw/zinc/37/97/59/876379759.db2.gz UJLDBDHGVZXNSB-OAQYLSRUSA-N 2 1 385.502 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000858347625 883039828 /nfs/dbraw/zinc/03/98/28/883039828.db2.gz DRCQIHUZIJTZTI-UXHICEINSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2C1 ZINC000850035685 876620456 /nfs/dbraw/zinc/62/04/56/876620456.db2.gz ZVXXAXPYAYCJIT-SFTDATJTSA-N 2 1 385.552 3.696 20 0 GHADMP Fc1cccc(F)c1-c1n[nH]cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192929236 883049623 /nfs/dbraw/zinc/04/96/23/883049623.db2.gz OQHZUZWRDUCBLV-KRWDZBQOSA-N 2 1 382.458 3.967 20 0 GHADMP C[C@H](O)C[C@@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620812 876665712 /nfs/dbraw/zinc/66/57/12/876665712.db2.gz ZCLXUSXPGLOUJC-FHQLIMNDSA-N 2 1 394.987 3.811 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786789789 876941701 /nfs/dbraw/zinc/94/17/01/876941701.db2.gz OAVYQHYSZRYAOI-LJQANCHMSA-N 2 1 392.547 3.840 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)cc2)C1 ZINC000850509495 876981635 /nfs/dbraw/zinc/98/16/35/876981635.db2.gz QTCDNYULDADSBG-RPWUZVMVSA-N 2 1 380.532 3.511 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786907281 877020473 /nfs/dbraw/zinc/02/04/73/877020473.db2.gz VSKZEKOWNMTDJV-CNNODRBYSA-N 2 1 392.547 3.777 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000193097275 883093482 /nfs/dbraw/zinc/09/34/82/883093482.db2.gz QMDUQKUNFNUJDB-HXUWFJFHSA-N 2 1 388.943 3.504 20 0 GHADMP CC[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134912134 883104927 /nfs/dbraw/zinc/10/49/27/883104927.db2.gz ZYZSHTCAGNUSFO-JRGCBEDISA-N 2 1 389.971 3.856 20 0 GHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218325 877303482 /nfs/dbraw/zinc/30/34/82/877303482.db2.gz VXVULPYREBSZPX-NHYWBVRUSA-N 2 1 389.849 3.950 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C[C@H](C)O1 ZINC000175160463 877499976 /nfs/dbraw/zinc/49/99/76/877499976.db2.gz PMSMFWNLZQLXQH-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C[C@H](C)O1 ZINC000175160463 877499983 /nfs/dbraw/zinc/49/99/83/877499983.db2.gz PMSMFWNLZQLXQH-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001183066162 912257450 /nfs/dbraw/zinc/25/74/50/912257450.db2.gz VHUXNXAMXYHMRU-OAGGEKHMSA-N 2 1 377.520 3.587 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001183066162 912257469 /nfs/dbraw/zinc/25/74/69/912257469.db2.gz VHUXNXAMXYHMRU-OAGGEKHMSA-N 2 1 377.520 3.587 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000551722885 877715889 /nfs/dbraw/zinc/71/58/89/877715889.db2.gz RSCWFVUBULRQKG-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000551722885 877715901 /nfs/dbraw/zinc/71/59/01/877715901.db2.gz RSCWFVUBULRQKG-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000551722885 877715910 /nfs/dbraw/zinc/71/59/10/877715910.db2.gz RSCWFVUBULRQKG-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP C[C@H]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175758957 877891582 /nfs/dbraw/zinc/89/15/82/877891582.db2.gz UIGZDWBWFGUMQR-IBGZPJMESA-N 2 1 386.584 3.555 20 0 GHADMP CC1(C)CC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC(C)(C)[NH2+]1 ZINC000477644010 877969237 /nfs/dbraw/zinc/96/92/37/877969237.db2.gz XVHSSVHBPJYYJT-GOSISDBHSA-N 2 1 393.522 3.569 20 0 GHADMP CN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000176009731 878034873 /nfs/dbraw/zinc/03/48/73/878034873.db2.gz AIDOWAMHQIAURA-QHCPKHFHSA-N 2 1 398.595 3.699 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527787 878092933 /nfs/dbraw/zinc/09/29/33/878092933.db2.gz DPDYEMIEEZPOJC-HSZRJFAPSA-N 2 1 393.575 3.649 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527787 878092951 /nfs/dbraw/zinc/09/29/51/878092951.db2.gz DPDYEMIEEZPOJC-HSZRJFAPSA-N 2 1 393.575 3.649 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527787 878092965 /nfs/dbraw/zinc/09/29/65/878092965.db2.gz DPDYEMIEEZPOJC-HSZRJFAPSA-N 2 1 393.575 3.649 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527787 878092979 /nfs/dbraw/zinc/09/29/79/878092979.db2.gz DPDYEMIEEZPOJC-HSZRJFAPSA-N 2 1 393.575 3.649 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527787 878092993 /nfs/dbraw/zinc/09/29/93/878092993.db2.gz DPDYEMIEEZPOJC-HSZRJFAPSA-N 2 1 393.575 3.649 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000245571088 878128814 /nfs/dbraw/zinc/12/88/14/878128814.db2.gz XLFMPYJLAUUEMS-DCCYDQLOSA-N 2 1 382.589 3.614 20 0 GHADMP CC[N@@H+](CCCC(=O)NC(C)(C)CC[NH+](C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001183152948 912313482 /nfs/dbraw/zinc/31/34/82/912313482.db2.gz WQYYECHMMPLFPJ-IBGZPJMESA-N 2 1 391.600 3.575 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000176286823 878186827 /nfs/dbraw/zinc/18/68/27/878186827.db2.gz ONYBLGZBYWKKQU-UHFFFAOYSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000788669922 878262302 /nfs/dbraw/zinc/26/23/02/878262302.db2.gz GPHNSQVRLKCHGL-LEWJYISDSA-N 2 1 387.568 3.998 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC000245660187 878313325 /nfs/dbraw/zinc/31/33/25/878313325.db2.gz FMQBHRVVCXUPJE-DKUWSORSSA-N 2 1 395.522 3.649 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000245685710 878373228 /nfs/dbraw/zinc/37/32/28/878373228.db2.gz WFGDOACGQMATGL-FGZHOGPDSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000616077558 878480804 /nfs/dbraw/zinc/48/08/04/878480804.db2.gz LZFKIHARWHYYGI-UHFFFAOYSA-N 2 1 392.563 3.554 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC000616082722 878487278 /nfs/dbraw/zinc/48/72/78/878487278.db2.gz BBNKLPGMBQBKKK-FQEVSTJZSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000616082722 878487289 /nfs/dbraw/zinc/48/72/89/878487289.db2.gz BBNKLPGMBQBKKK-FQEVSTJZSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000616082722 878487297 /nfs/dbraw/zinc/48/72/97/878487297.db2.gz BBNKLPGMBQBKKK-FQEVSTJZSA-N 2 1 380.621 3.795 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C[NH+]1CCCC1 ZINC000616064935 878502095 /nfs/dbraw/zinc/50/20/95/878502095.db2.gz MIBUCVBHWAUYPQ-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753454 878579319 /nfs/dbraw/zinc/57/93/19/878579319.db2.gz BHCAWGNKZROXBA-FPOVZHCZSA-N 2 1 398.595 3.716 20 0 GHADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1SC(F)F ZINC000852754616 878580784 /nfs/dbraw/zinc/58/07/84/878580784.db2.gz YDRODPXNWLNJIH-HNNXBMFYSA-N 2 1 383.508 3.651 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2sccc2C)CC1)CC(C)C ZINC000537994088 878680628 /nfs/dbraw/zinc/68/06/28/878680628.db2.gz ABKWKDKBBUBQEZ-UHFFFAOYSA-N 2 1 379.614 3.753 20 0 GHADMP COC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000248752464 912387665 /nfs/dbraw/zinc/38/76/65/912387665.db2.gz CCJQMKBDXNQCPE-CIQXWFTPSA-N 2 1 385.552 3.639 20 0 GHADMP COC(=O)N1CCC([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000248752466 912387970 /nfs/dbraw/zinc/38/79/70/912387970.db2.gz CCJQMKBDXNQCPE-HLRQEUIKSA-N 2 1 385.552 3.639 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120225 878827838 /nfs/dbraw/zinc/82/78/38/878827838.db2.gz HPNZUPPSKQQAMO-DENIHFKCSA-N 2 1 386.486 3.890 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000531047567 879011018 /nfs/dbraw/zinc/01/10/18/879011018.db2.gz BCDADQZGRDFZIZ-MAUKXSAKSA-N 2 1 385.474 3.546 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000531051561 879020441 /nfs/dbraw/zinc/02/04/41/879020441.db2.gz VHNJXXYMNGRLOL-VQIMIIECSA-N 2 1 399.501 3.935 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000111386270 879081428 /nfs/dbraw/zinc/08/14/28/879081428.db2.gz ZDBJMFWFRKEJHM-MRXNPFEDSA-N 2 1 385.533 3.883 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1nc2ccccc2n1C ZINC000246211155 879225046 /nfs/dbraw/zinc/22/50/46/879225046.db2.gz YPIQQZZVUJSCCE-XXBNENTESA-N 2 1 391.563 3.603 20 0 GHADMP C[C@H](CCc1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000538400236 879383428 /nfs/dbraw/zinc/38/34/28/879383428.db2.gz KBLRSSXODYSBPJ-YKSBVNFPSA-N 2 1 393.575 3.742 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000649342855 879398562 /nfs/dbraw/zinc/39/85/62/879398562.db2.gz TXSOTECKVIXOKL-HSZRJFAPSA-N 2 1 391.559 3.575 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000246360129 879459197 /nfs/dbraw/zinc/45/91/97/879459197.db2.gz PSVRZOIEDHNDPW-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246360129 879459202 /nfs/dbraw/zinc/45/92/02/879459202.db2.gz PSVRZOIEDHNDPW-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246360129 879459207 /nfs/dbraw/zinc/45/92/07/879459207.db2.gz PSVRZOIEDHNDPW-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP CC1(C)C[N@@H+](CCC(=O)N2CCCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045244 879472271 /nfs/dbraw/zinc/47/22/71/879472271.db2.gz WQPOAOVOPDCJMR-QHCPKHFHSA-N 2 1 383.580 3.622 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246382727 879491379 /nfs/dbraw/zinc/49/13/79/879491379.db2.gz IKPGEWSNGHUUGG-PMVMPFDFSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246382727 879491384 /nfs/dbraw/zinc/49/13/84/879491384.db2.gz IKPGEWSNGHUUGG-PMVMPFDFSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246382727 879491389 /nfs/dbraw/zinc/49/13/89/879491389.db2.gz IKPGEWSNGHUUGG-PMVMPFDFSA-N 2 1 381.564 3.516 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000246468436 879588517 /nfs/dbraw/zinc/58/85/17/879588517.db2.gz KERSLFAGTBXYJI-IZBOUPIGSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000246468436 879588527 /nfs/dbraw/zinc/58/85/27/879588527.db2.gz KERSLFAGTBXYJI-IZBOUPIGSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000246468436 879588545 /nfs/dbraw/zinc/58/85/45/879588545.db2.gz KERSLFAGTBXYJI-IZBOUPIGSA-N 2 1 398.595 3.696 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246487740 879611237 /nfs/dbraw/zinc/61/12/37/879611237.db2.gz GYYHSRTXWQWIQQ-AHRSYUTCSA-N 2 1 387.593 3.533 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246489110 879614086 /nfs/dbraw/zinc/61/40/86/879614086.db2.gz RLOYLQARMMUYQB-BVSLBCMMSA-N 2 1 386.584 3.504 20 0 GHADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790364014 879630735 /nfs/dbraw/zinc/63/07/35/879630735.db2.gz CVWKHMRHMMKCMV-HARLFGEKSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790364014 879630745 /nfs/dbraw/zinc/63/07/45/879630745.db2.gz CVWKHMRHMMKCMV-HARLFGEKSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)cc1 ZINC000247049906 879900230 /nfs/dbraw/zinc/90/02/30/879900230.db2.gz NFGVNHPNRZDAOD-ROUUACIJSA-N 2 1 391.519 3.652 20 0 GHADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000247175314 879935927 /nfs/dbraw/zinc/93/59/27/879935927.db2.gz UWECSTMEHCTTOO-IRXDYDNUSA-N 2 1 377.960 3.655 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000247175314 879935933 /nfs/dbraw/zinc/93/59/33/879935933.db2.gz UWECSTMEHCTTOO-IRXDYDNUSA-N 2 1 377.960 3.655 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000247208578 879942043 /nfs/dbraw/zinc/94/20/43/879942043.db2.gz WWHLOJAFUYISFX-MDZRGWNJSA-N 2 1 380.374 3.595 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000247307298 879965419 /nfs/dbraw/zinc/96/54/19/879965419.db2.gz JHSVONDRUFFISS-FTBPSBKWSA-N 2 1 396.575 3.736 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494213544 879998229 /nfs/dbraw/zinc/99/82/29/879998229.db2.gz UNUZCDUWJRPHQN-BPAFIMBUSA-N 2 1 381.923 3.603 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494213544 879998236 /nfs/dbraw/zinc/99/82/36/879998236.db2.gz UNUZCDUWJRPHQN-BPAFIMBUSA-N 2 1 381.923 3.603 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494217559 880000456 /nfs/dbraw/zinc/00/04/56/880000456.db2.gz WMYSWFVDYCVWRH-UYAOXDASSA-N 2 1 392.906 3.714 20 0 GHADMP Cc1nc2ccc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc2s1 ZINC000494194711 880007960 /nfs/dbraw/zinc/00/79/60/880007960.db2.gz JKWBAEZAPBGFNX-HXUWFJFHSA-N 2 1 381.545 3.851 20 0 GHADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(Br)s1 ZINC000494219995 880015367 /nfs/dbraw/zinc/01/53/67/880015367.db2.gz NKSAGAQXOWILAO-UHFFFAOYSA-N 2 1 386.359 3.944 20 0 GHADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(Br)s1 ZINC000494219995 880015385 /nfs/dbraw/zinc/01/53/85/880015385.db2.gz NKSAGAQXOWILAO-UHFFFAOYSA-N 2 1 386.359 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccncn1 ZINC000453091774 880455352 /nfs/dbraw/zinc/45/53/52/880455352.db2.gz SLIVPQCCXSCQGY-FQEVSTJZSA-N 2 1 387.531 3.650 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOCC3CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453111646 880481769 /nfs/dbraw/zinc/48/17/69/880481769.db2.gz CJHADXCOXWEFHT-TZRRMPRUSA-N 2 1 386.580 3.853 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)CC2)n[nH]1 ZINC000453214843 880630706 /nfs/dbraw/zinc/63/07/06/880630706.db2.gz IBKKVLMLXRUGAM-ZLNRFVROSA-N 2 1 393.579 3.720 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](n2ccnc2)C1 ZINC000643278669 912600545 /nfs/dbraw/zinc/60/05/45/912600545.db2.gz HGFHOHSGHAKFJU-VXKWHMMOSA-N 2 1 395.551 3.532 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000531932091 880784863 /nfs/dbraw/zinc/78/48/63/880784863.db2.gz NDFFPAUXDBEHHK-JXFKEZNVSA-N 2 1 390.572 3.593 20 0 GHADMP COCCOCc1ccc(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000643319225 912624516 /nfs/dbraw/zinc/62/45/16/912624516.db2.gz HPGQJZREKKFJJT-HSZRJFAPSA-N 2 1 382.548 3.992 20 0 GHADMP COCCOCc1ccc(CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000643319225 912624529 /nfs/dbraw/zinc/62/45/29/912624529.db2.gz HPGQJZREKKFJJT-HSZRJFAPSA-N 2 1 382.548 3.992 20 0 GHADMP CCOC(=O)C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000792197462 880983449 /nfs/dbraw/zinc/98/34/49/880983449.db2.gz WZCJQMKHBLZAQL-UHFFFAOYSA-N 2 1 376.516 3.546 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@H](C)C3)o2)cc1 ZINC001183532140 912641335 /nfs/dbraw/zinc/64/13/35/912641335.db2.gz APJSNHDRQRCBQH-QGZVFWFLSA-N 2 1 391.471 3.839 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C1CC1 ZINC000453601780 881122911 /nfs/dbraw/zinc/12/29/11/881122911.db2.gz VVLPXOLHNDLZCS-UHFFFAOYSA-N 2 1 377.330 3.599 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000187480877 881208883 /nfs/dbraw/zinc/20/88/83/881208883.db2.gz TZHKLGGTWDUUEJ-JOCHJYFZSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000074001903 881214861 /nfs/dbraw/zinc/21/48/61/881214861.db2.gz MDQGJNBLIWLKGF-URVUXULASA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn(-c2ccccc2)nn1 ZINC000181338169 883140294 /nfs/dbraw/zinc/14/02/94/883140294.db2.gz UQOPETXNFHZRFQ-ROUUACIJSA-N 2 1 379.508 3.620 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000135262747 883275865 /nfs/dbraw/zinc/27/58/65/883275865.db2.gz WYECTCZGEWWKQC-ZWOKBUDYSA-N 2 1 376.516 3.909 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000477086495 883671973 /nfs/dbraw/zinc/67/19/73/883671973.db2.gz VGZKCMNWBKCJQD-UHFFFAOYSA-N 2 1 383.580 3.622 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000194370061 883787876 /nfs/dbraw/zinc/78/78/76/883787876.db2.gz WYBAKSPJQYWAOQ-UHFFFAOYSA-N 2 1 383.580 3.942 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(Cl)c1 ZINC001211911560 883812894 /nfs/dbraw/zinc/81/28/94/883812894.db2.gz RMGXQAJTELYMFD-KRWDZBQOSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(Cl)c1 ZINC001211911560 883812908 /nfs/dbraw/zinc/81/29/08/883812908.db2.gz RMGXQAJTELYMFD-KRWDZBQOSA-N 2 1 398.869 3.718 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001183758024 912766188 /nfs/dbraw/zinc/76/61/88/912766188.db2.gz RAJRHOUZLZEQGI-XQUALCHDSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC001183758024 912766193 /nfs/dbraw/zinc/76/61/93/912766193.db2.gz RAJRHOUZLZEQGI-XQUALCHDSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183758024 912766201 /nfs/dbraw/zinc/76/62/01/912766201.db2.gz RAJRHOUZLZEQGI-XQUALCHDSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183758024 912766213 /nfs/dbraw/zinc/76/62/13/912766213.db2.gz RAJRHOUZLZEQGI-XQUALCHDSA-N 2 1 389.543 3.573 20 0 GHADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000130095025 884167586 /nfs/dbraw/zinc/16/75/86/884167586.db2.gz HULWFPBQZGOMQW-IBGZPJMESA-N 2 1 380.536 3.874 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556233016 884178139 /nfs/dbraw/zinc/17/81/39/884178139.db2.gz DWIDRWGIAKDCKQ-QRQLOZEOSA-N 2 1 395.473 3.748 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556233016 884178146 /nfs/dbraw/zinc/17/81/46/884178146.db2.gz DWIDRWGIAKDCKQ-QRQLOZEOSA-N 2 1 395.473 3.748 20 0 GHADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918588 884300497 /nfs/dbraw/zinc/30/04/97/884300497.db2.gz HGXBNBLEEUGFAE-ICSRJNTNSA-N 2 1 381.520 3.524 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCCC1 ZINC000465460268 884304086 /nfs/dbraw/zinc/30/40/86/884304086.db2.gz RFFLKYPYSLSWHT-PKOBYXMFSA-N 2 1 392.613 3.695 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000806157530 884414140 /nfs/dbraw/zinc/41/41/40/884414140.db2.gz GVHRSXCOLSPHGE-YHDCXSKOSA-N 2 1 382.470 3.987 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCCCCNC(=O)OC(C)(C)C ZINC001168284966 884565077 /nfs/dbraw/zinc/56/50/77/884565077.db2.gz PTCHBAORTSULCG-VAMGGRTRSA-N 2 1 397.604 3.645 20 0 GHADMP O=C(C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC001168295842 884998179 /nfs/dbraw/zinc/99/81/79/884998179.db2.gz TWCNGRQSBWWRCZ-HSZRJFAPSA-N 2 1 396.506 3.895 20 0 GHADMP O=C(C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC001168295842 884998204 /nfs/dbraw/zinc/99/82/04/884998204.db2.gz TWCNGRQSBWWRCZ-HSZRJFAPSA-N 2 1 396.506 3.895 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766285 885307893 /nfs/dbraw/zinc/30/78/93/885307893.db2.gz CNNWFTZTLSXEGS-FCHUYYIVSA-N 2 1 394.003 3.956 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442174 885452664 /nfs/dbraw/zinc/45/26/64/885452664.db2.gz ATFQZAJRISHQTD-UXHICEINSA-N 2 1 385.577 3.849 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000303406968 885552403 /nfs/dbraw/zinc/55/24/03/885552403.db2.gz QGPWVGDIFKPAAL-HSZRJFAPSA-N 2 1 377.532 3.636 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000495374146 885562381 /nfs/dbraw/zinc/56/23/81/885562381.db2.gz MSSMRLKCCXZJQW-ZVDOUQERSA-N 2 1 395.547 3.913 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000455878782 885563209 /nfs/dbraw/zinc/56/32/09/885563209.db2.gz QFPRPYXRTMZEQX-NHCUHLMSSA-N 2 1 396.535 3.669 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000550631614 885636815 /nfs/dbraw/zinc/63/68/15/885636815.db2.gz KVKMIKVBAAEXBM-IAGOWNOFSA-N 2 1 391.522 3.618 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000550631614 885636824 /nfs/dbraw/zinc/63/68/24/885636824.db2.gz KVKMIKVBAAEXBM-IAGOWNOFSA-N 2 1 391.522 3.618 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000550631614 885636828 /nfs/dbraw/zinc/63/68/28/885636828.db2.gz KVKMIKVBAAEXBM-IAGOWNOFSA-N 2 1 391.522 3.618 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000303677530 885674211 /nfs/dbraw/zinc/67/42/11/885674211.db2.gz QTQTYVVYXFGTIP-UGKGYDQZSA-N 2 1 386.584 3.776 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550680748 885853274 /nfs/dbraw/zinc/85/32/74/885853274.db2.gz QFUPTXUXPNEVTN-VXNXHJTFSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550680748 885853293 /nfs/dbraw/zinc/85/32/93/885853293.db2.gz QFUPTXUXPNEVTN-VXNXHJTFSA-N 2 1 391.559 3.645 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000556671511 885881237 /nfs/dbraw/zinc/88/12/37/885881237.db2.gz JMRPZNAJTBAJJG-INIZCTEOSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000556671511 885881247 /nfs/dbraw/zinc/88/12/47/885881247.db2.gz JMRPZNAJTBAJJG-INIZCTEOSA-N 2 1 391.357 3.763 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1)CC1CC1 ZINC000808175577 886068160 /nfs/dbraw/zinc/06/81/60/886068160.db2.gz RVBVUQAOQUGPRE-UHFFFAOYSA-N 2 1 384.568 3.720 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1)CC1CC1 ZINC000808175577 886068174 /nfs/dbraw/zinc/06/81/74/886068174.db2.gz RVBVUQAOQUGPRE-UHFFFAOYSA-N 2 1 384.568 3.720 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808172010 886104200 /nfs/dbraw/zinc/10/42/00/886104200.db2.gz ORZDCPYZBGTJCO-FQEVSTJZSA-N 2 1 384.568 3.863 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808172010 886104202 /nfs/dbraw/zinc/10/42/02/886104202.db2.gz ORZDCPYZBGTJCO-FQEVSTJZSA-N 2 1 384.568 3.863 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001168319708 886247349 /nfs/dbraw/zinc/24/73/49/886247349.db2.gz WOXJVZUYVKPNQM-XVAHUTHZSA-N 2 1 383.552 3.530 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000131556513 886255021 /nfs/dbraw/zinc/25/50/21/886255021.db2.gz VYWRIJNAJKBUJY-KBPBESRZSA-N 2 1 385.321 3.740 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000118950777 886358767 /nfs/dbraw/zinc/35/87/67/886358767.db2.gz GCIVPBCNHBFCQN-QFIPXVFZSA-N 2 1 386.584 3.688 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCCCC1 ZINC000131619905 886370622 /nfs/dbraw/zinc/37/06/22/886370622.db2.gz IBPLXSRDBPRIOL-RLLQIKCJSA-N 2 1 377.598 3.758 20 0 GHADMP CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000072895375 886500805 /nfs/dbraw/zinc/50/08/05/886500805.db2.gz GQXIYTRBBIHMKD-HSZRJFAPSA-N 2 1 379.548 3.982 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000808725836 886709880 /nfs/dbraw/zinc/70/98/80/886709880.db2.gz HBZHXYLKPVODPD-HVTWWXFQSA-N 2 1 379.589 3.780 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2cccs2)CC1 ZINC000542573451 886984520 /nfs/dbraw/zinc/98/45/20/886984520.db2.gz REESIMOGYTZVGR-UHFFFAOYSA-N 2 1 385.577 3.616 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C3CC3)C3CCCCC3)cc2)CC1 ZINC000915686452 887304201 /nfs/dbraw/zinc/30/42/01/887304201.db2.gz YZSMOLLCJDKRCR-UHFFFAOYSA-N 2 1 384.568 3.564 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC1)CC1CC1 ZINC000536587147 887333386 /nfs/dbraw/zinc/33/33/86/887333386.db2.gz PXUINQBHXRFIHE-QFIPXVFZSA-N 2 1 392.632 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1)CC1CC1 ZINC000536587147 887333398 /nfs/dbraw/zinc/33/33/98/887333398.db2.gz PXUINQBHXRFIHE-QFIPXVFZSA-N 2 1 392.632 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1)CC1CC1 ZINC000536587147 887333409 /nfs/dbraw/zinc/33/34/09/887333409.db2.gz PXUINQBHXRFIHE-QFIPXVFZSA-N 2 1 392.632 3.508 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000809594897 887603071 /nfs/dbraw/zinc/60/30/71/887603071.db2.gz CJSKZHCKOZDBGI-TZIWHRDSSA-N 2 1 384.593 3.691 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000809594897 887603080 /nfs/dbraw/zinc/60/30/80/887603080.db2.gz CJSKZHCKOZDBGI-TZIWHRDSSA-N 2 1 384.593 3.691 20 0 GHADMP CN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287200583 913179731 /nfs/dbraw/zinc/17/97/31/913179731.db2.gz ZDLGKPAWUSBKMQ-CBQGHPETSA-N 2 1 384.568 3.804 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404347 913191886 /nfs/dbraw/zinc/19/18/86/913191886.db2.gz GODPDJLVQPXRGY-SLYNCCJLSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404347 913191903 /nfs/dbraw/zinc/19/19/03/913191903.db2.gz GODPDJLVQPXRGY-SLYNCCJLSA-N 2 1 391.987 3.787 20 0 GHADMP CC(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[C@H](C)C1 ZINC001184404347 913191911 /nfs/dbraw/zinc/19/19/11/913191911.db2.gz GODPDJLVQPXRGY-SLYNCCJLSA-N 2 1 391.987 3.787 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809950075 888017329 /nfs/dbraw/zinc/01/73/29/888017329.db2.gz CBAHBFGJIJXSJC-UFYCRDLUSA-N 2 1 381.605 3.981 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000810378627 888470683 /nfs/dbraw/zinc/47/06/83/888470683.db2.gz CDIZCWRSTVJNLD-MNRDOXJOSA-N 2 1 387.543 3.511 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000810378627 888470691 /nfs/dbraw/zinc/47/06/91/888470691.db2.gz CDIZCWRSTVJNLD-MNRDOXJOSA-N 2 1 387.543 3.511 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000810378627 888470700 /nfs/dbraw/zinc/47/07/00/888470700.db2.gz CDIZCWRSTVJNLD-MNRDOXJOSA-N 2 1 387.543 3.511 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)CC2)[nH+]c1 ZINC000194762857 888617971 /nfs/dbraw/zinc/61/79/71/888617971.db2.gz XNQBUVXMIPFEST-NRFANRHFSA-N 2 1 398.595 3.577 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000509670292 888788431 /nfs/dbraw/zinc/78/84/31/888788431.db2.gz ITLXHMAXBDZXIS-HKWRFOASSA-N 2 1 380.532 3.858 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000123347212 888815723 /nfs/dbraw/zinc/81/57/23/888815723.db2.gz AWQHVDNFSPBGFA-AVRDEDQJSA-N 2 1 395.551 3.902 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2c(ccnc2Cl)o1 ZINC000866335565 888836309 /nfs/dbraw/zinc/83/63/09/888836309.db2.gz BLXKADCIFARPFF-YOEHRIQHSA-N 2 1 385.895 3.899 20 0 GHADMP O=C(C[N@@H+](Cc1ccccc1F)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000532741725 888867141 /nfs/dbraw/zinc/86/71/41/888867141.db2.gz MOQLWMKYLGOYQS-UHFFFAOYSA-N 2 1 387.543 3.703 20 0 GHADMP O=C(C[N@H+](Cc1ccccc1F)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000532741725 888867149 /nfs/dbraw/zinc/86/71/49/888867149.db2.gz MOQLWMKYLGOYQS-UHFFFAOYSA-N 2 1 387.543 3.703 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866466885 888894461 /nfs/dbraw/zinc/89/44/61/888894461.db2.gz NZCFPQSTCNZSKW-WTGUMLROSA-N 2 1 397.604 3.549 20 0 GHADMP C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000868181052 889337296 /nfs/dbraw/zinc/33/72/96/889337296.db2.gz NDVJTTZYAGHTIL-UHVFKWDWSA-N 2 1 378.520 3.533 20 0 GHADMP C[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000532941677 889344228 /nfs/dbraw/zinc/34/42/28/889344228.db2.gz HHLDUCZRTATACL-LEWJYISDSA-N 2 1 393.575 3.891 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000454734567 889645861 /nfs/dbraw/zinc/64/58/61/889645861.db2.gz LWCYPDKWNPDETO-WOJBJXKFSA-N 2 1 392.975 3.651 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000454734567 889645874 /nfs/dbraw/zinc/64/58/74/889645874.db2.gz LWCYPDKWNPDETO-WOJBJXKFSA-N 2 1 392.975 3.651 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[N@@H+]1C ZINC000124571712 889679378 /nfs/dbraw/zinc/67/93/78/889679378.db2.gz GMZQCYVZYNMURS-ZYHUDNBSSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[N@H+]1C ZINC000124571712 889679382 /nfs/dbraw/zinc/67/93/82/889679382.db2.gz GMZQCYVZYNMURS-ZYHUDNBSSA-N 2 1 376.136 3.784 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)[C@H](C)C1 ZINC000125350635 889962245 /nfs/dbraw/zinc/96/22/45/889962245.db2.gz XWFDWGHFUMNUMX-UZLBHIALSA-N 2 1 383.502 3.990 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000454974534 890051793 /nfs/dbraw/zinc/05/17/93/890051793.db2.gz CXQNABMLONVJGD-NRFANRHFSA-N 2 1 398.595 3.605 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890319 890568237 /nfs/dbraw/zinc/56/82/37/890568237.db2.gz LOQJGOYZGQTIDN-UKBAYJJMSA-N 2 1 397.485 3.722 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000123436478 890597828 /nfs/dbraw/zinc/59/78/28/890597828.db2.gz OFPOGEMCADVRDU-UHFFFAOYSA-N 2 1 385.524 3.994 20 0 GHADMP CCC[N@@H+](Cc1csc(COC)n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000533519594 890784513 /nfs/dbraw/zinc/78/45/13/890784513.db2.gz IFZSUZMHGRJYKQ-UHFFFAOYSA-N 2 1 389.569 3.577 20 0 GHADMP CCCN(Cc1csc(COC)n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000533519594 890784527 /nfs/dbraw/zinc/78/45/27/890784527.db2.gz IFZSUZMHGRJYKQ-UHFFFAOYSA-N 2 1 389.569 3.577 20 0 GHADMP Cc1ccc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c(C[NH+]2CCOCC2)c1 ZINC001170685673 890942857 /nfs/dbraw/zinc/94/28/57/890942857.db2.gz DDZKSHKZVAWPCZ-SFHVURJKSA-N 2 1 376.504 3.700 20 0 GHADMP [NH3+]C1(Cc2nc(Cc3cccc(Cl)c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000871783952 891009290 /nfs/dbraw/zinc/00/92/90/891009290.db2.gz LXLNWLYQXOXDOQ-UHFFFAOYSA-N 2 1 396.922 3.850 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC4(CCCC4)C3)CC2)cs1 ZINC000872037022 891128925 /nfs/dbraw/zinc/12/89/25/891128925.db2.gz ZHTHKPVEWVHBCL-SFHVURJKSA-N 2 1 377.598 3.999 20 0 GHADMP [NH3+]C1(Cc2nc(-c3cc(F)cc(F)c3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872172919 891197325 /nfs/dbraw/zinc/19/73/25/891197325.db2.gz HZLFTRMGNPHCKN-UHFFFAOYSA-N 2 1 384.430 3.551 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000644908262 913543066 /nfs/dbraw/zinc/54/30/66/913543066.db2.gz GBDXQKDYTVEZSE-QHCPKHFHSA-N 2 1 384.564 3.942 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(N4CCCC4=O)c3)CC2)[nH+]1 ZINC000128164965 891456219 /nfs/dbraw/zinc/45/62/19/891456219.db2.gz MBRAWGAOQBIHJN-SFHVURJKSA-N 2 1 378.520 3.836 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cncn4)cc3Cl)CC2)[nH+]1 ZINC000128183806 891468329 /nfs/dbraw/zinc/46/83/29/891468329.db2.gz VIGNTFPSZPTNHK-INIZCTEOSA-N 2 1 396.926 3.944 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)C1CCCCC1 ZINC000497400031 891500400 /nfs/dbraw/zinc/50/04/00/891500400.db2.gz HYYVNIVQGWYUTE-WMZHIEFXSA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)C1CCCCC1 ZINC000497400031 891500408 /nfs/dbraw/zinc/50/04/08/891500408.db2.gz HYYVNIVQGWYUTE-WMZHIEFXSA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)C1CCCCC1 ZINC000497400031 891500416 /nfs/dbraw/zinc/50/04/16/891500416.db2.gz HYYVNIVQGWYUTE-WMZHIEFXSA-N 2 1 398.595 3.687 20 0 GHADMP CC(C)N1CC[C@H](NC(=O)[C@@H](N)c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497501675 891714314 /nfs/dbraw/zinc/71/43/14/891714314.db2.gz CKMKEMAVTJCBBL-SLFFLAALSA-N 2 1 389.902 3.819 20 0 GHADMP Cc1nc(-c2cc([C@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)cs2)cs1 ZINC000128397826 891845604 /nfs/dbraw/zinc/84/56/04/891845604.db2.gz WAQQUJZHYQERKZ-HNNXBMFYSA-N 2 1 378.611 3.858 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000162161360 892079852 /nfs/dbraw/zinc/07/98/52/892079852.db2.gz ASOWJGPWRGHDSQ-IBGZPJMESA-N 2 1 375.520 3.891 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)cc1)C(C)C ZINC000261711889 892084734 /nfs/dbraw/zinc/08/47/34/892084734.db2.gz DPLDBNMYSYDYLP-JOCHJYFZSA-N 2 1 395.547 3.712 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)cc1)C(C)C ZINC000261711889 892084750 /nfs/dbraw/zinc/08/47/50/892084750.db2.gz DPLDBNMYSYDYLP-JOCHJYFZSA-N 2 1 395.547 3.712 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000124992684 892115934 /nfs/dbraw/zinc/11/59/34/892115934.db2.gz GZWIEHMZVCUARD-QVKFZJNVSA-N 2 1 381.476 3.582 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645106065 913677278 /nfs/dbraw/zinc/67/72/78/913677278.db2.gz GIFJGNMWHVUTLI-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645109482 913681448 /nfs/dbraw/zinc/68/14/48/913681448.db2.gz YXKWHPNOGCGDIC-SJBKTWHCSA-N 2 1 399.579 3.544 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000875477840 892636091 /nfs/dbraw/zinc/63/60/91/892636091.db2.gz RMGKXDQWCYXTDW-PZJWPPBQSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700453 892669842 /nfs/dbraw/zinc/66/98/42/892669842.db2.gz UJGQIARTOWWKDN-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000508703037 892750311 /nfs/dbraw/zinc/75/03/11/892750311.db2.gz XCMVETCHRKRBCC-UYAOXDASSA-N 2 1 384.520 3.583 20 0 GHADMP COc1cccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)N(C)C)c1 ZINC000508708367 892774239 /nfs/dbraw/zinc/77/42/39/892774239.db2.gz BNYJFKOSRJRGAJ-CKUXNOBLSA-N 2 1 381.564 3.798 20 0 GHADMP COc1cccc([C@H](CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000508708367 892774272 /nfs/dbraw/zinc/77/42/72/892774272.db2.gz BNYJFKOSRJRGAJ-CKUXNOBLSA-N 2 1 381.564 3.798 20 0 GHADMP COc1cccc([C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)c1 ZINC000508708367 892774297 /nfs/dbraw/zinc/77/42/97/892774297.db2.gz BNYJFKOSRJRGAJ-CKUXNOBLSA-N 2 1 381.564 3.798 20 0 GHADMP C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709825 892815908 /nfs/dbraw/zinc/81/59/08/892815908.db2.gz JVJMUNYOHGBPIY-NZQKXSOJSA-N 2 1 391.559 3.856 20 0 GHADMP Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000615117056 892819270 /nfs/dbraw/zinc/81/92/70/892819270.db2.gz LIVBIYBQTWMAGO-FQEVSTJZSA-N 2 1 379.548 3.596 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000162748880 893117893 /nfs/dbraw/zinc/11/78/93/893117893.db2.gz SORUGLPMYQBKLU-GOSISDBHSA-N 2 1 389.565 3.621 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509696176 893332018 /nfs/dbraw/zinc/33/20/18/893332018.db2.gz HYQXEFSXUWHHMQ-DNQXCXABSA-N 2 1 398.639 3.785 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000876898953 893377961 /nfs/dbraw/zinc/37/79/61/893377961.db2.gz QUNKAKMLFNULAW-YFXJRYMSSA-N 2 1 396.531 3.695 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000876898953 893377981 /nfs/dbraw/zinc/37/79/81/893377981.db2.gz QUNKAKMLFNULAW-YFXJRYMSSA-N 2 1 396.531 3.695 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000563130748 893391849 /nfs/dbraw/zinc/39/18/49/893391849.db2.gz UBIAUINOLJIZJQ-XJKSGUPXSA-N 2 1 391.357 3.811 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC12CCOCC2 ZINC000563135074 893397793 /nfs/dbraw/zinc/39/77/93/893397793.db2.gz DUONNEKMYFXCGS-KRWDZBQOSA-N 2 1 388.458 3.944 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@H](C)C1 ZINC000459411035 893472335 /nfs/dbraw/zinc/47/23/35/893472335.db2.gz IOKLWLUMBRYSBP-QAPCUYQASA-N 2 1 390.597 3.808 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@H](C)C1 ZINC000459411035 893472344 /nfs/dbraw/zinc/47/23/44/893472344.db2.gz IOKLWLUMBRYSBP-QAPCUYQASA-N 2 1 390.597 3.808 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199908 893550045 /nfs/dbraw/zinc/55/00/45/893550045.db2.gz FCHKMMXYBGESAA-RBUKOAKNSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199908 893550052 /nfs/dbraw/zinc/55/00/52/893550052.db2.gz FCHKMMXYBGESAA-RBUKOAKNSA-N 2 1 376.545 3.693 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000536697618 893564125 /nfs/dbraw/zinc/56/41/25/893564125.db2.gz YLCMTBOHYWGTLS-OAHLLOKOSA-N 2 1 376.875 3.874 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000069591591 893588678 /nfs/dbraw/zinc/58/86/78/893588678.db2.gz BTXNFMDMLVIIPV-QFIPXVFZSA-N 2 1 386.584 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)C1 ZINC000815202724 893597550 /nfs/dbraw/zinc/59/75/50/893597550.db2.gz YZEROCISUWLRBL-UXHICEINSA-N 2 1 379.589 3.974 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C[C@H](C)O1 ZINC000536710857 893619320 /nfs/dbraw/zinc/61/93/20/893619320.db2.gz XZFFUPFAWXZBQV-CALCHBBNSA-N 2 1 390.959 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)C[C@H](C)O1 ZINC000536710857 893619330 /nfs/dbraw/zinc/61/93/30/893619330.db2.gz XZFFUPFAWXZBQV-CALCHBBNSA-N 2 1 390.959 3.699 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cn4cc(Cl)ccc4n3)CC2)C[C@H](C)O1 ZINC000536710857 893619337 /nfs/dbraw/zinc/61/93/37/893619337.db2.gz XZFFUPFAWXZBQV-CALCHBBNSA-N 2 1 390.959 3.699 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640015 /nfs/dbraw/zinc/64/00/15/893640015.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640026 /nfs/dbraw/zinc/64/00/26/893640026.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 2 1 377.576 3.976 20 0 GHADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640037 /nfs/dbraw/zinc/64/00/37/893640037.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 2 1 377.576 3.976 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640043 /nfs/dbraw/zinc/64/00/43/893640043.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 2 1 377.576 3.976 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556075989 893640055 /nfs/dbraw/zinc/64/00/55/893640055.db2.gz GYJJCDMFPHSMJB-PZUNEJSGSA-N 2 1 377.576 3.976 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccc(Cl)c3Cl)CC2)CC1 ZINC000563372169 893675157 /nfs/dbraw/zinc/67/51/57/893675157.db2.gz XOQMOFZHYBYESN-UHFFFAOYSA-N 2 1 398.378 3.806 20 0 GHADMP CC[N@@H+](CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)CCC(F)(F)F ZINC000455836005 893730853 /nfs/dbraw/zinc/73/08/53/893730853.db2.gz AOVSCPOFTLDXLZ-KRWDZBQOSA-N 2 1 386.462 3.631 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000556119521 893834504 /nfs/dbraw/zinc/83/45/04/893834504.db2.gz ZDSRISPWMYJLSP-HRCADAONSA-N 2 1 399.398 3.855 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000536829071 893861374 /nfs/dbraw/zinc/86/13/74/893861374.db2.gz VPZYWEWBUDDXJC-AUUYWEPGSA-N 2 1 377.326 3.911 20 0 GHADMP C[C@@H](CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000686224015 893866681 /nfs/dbraw/zinc/86/66/81/893866681.db2.gz SOOYVDVLWLSPNX-ROUUACIJSA-N 2 1 375.557 3.742 20 0 GHADMP C(C[NH+]1CCCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837788 893966484 /nfs/dbraw/zinc/96/64/84/893966484.db2.gz LKJUQOSCUYDIAK-CWBXHPNXSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCCC[C@H]([C@H]2CCOC2)C1)C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837788 893966497 /nfs/dbraw/zinc/96/64/97/893966497.db2.gz LKJUQOSCUYDIAK-CWBXHPNXSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCCC[C@H]([C@H]2CCOC2)C1)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837788 893966500 /nfs/dbraw/zinc/96/65/00/893966500.db2.gz LKJUQOSCUYDIAK-CWBXHPNXSA-N 2 1 378.601 3.654 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)c(OC(F)F)cc1C ZINC000563746055 894138222 /nfs/dbraw/zinc/13/82/22/894138222.db2.gz AGOLWTDMWGYTII-UHFFFAOYSA-N 2 1 379.451 3.530 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000459785590 894179260 /nfs/dbraw/zinc/17/92/60/894179260.db2.gz OXMPAGDWMOHMFM-INIZCTEOSA-N 2 1 380.458 3.772 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000536999559 894204824 /nfs/dbraw/zinc/20/48/24/894204824.db2.gz UBZXZACBLZPWRA-HXUWFJFHSA-N 2 1 398.378 3.977 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1c2ccccc2CCc2ccccc21 ZINC000563957778 894371974 /nfs/dbraw/zinc/37/19/74/894371974.db2.gz SKIYSLATAIDQFB-FGZHOGPDSA-N 2 1 389.543 3.771 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325760 894867658 /nfs/dbraw/zinc/86/76/58/894867658.db2.gz PHCITUURMFIHNX-CRAIPNDOSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325760 894867675 /nfs/dbraw/zinc/86/76/75/894867675.db2.gz PHCITUURMFIHNX-CRAIPNDOSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325760 894867692 /nfs/dbraw/zinc/86/76/92/894867692.db2.gz PHCITUURMFIHNX-CRAIPNDOSA-N 2 1 377.326 3.641 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325762 894868522 /nfs/dbraw/zinc/86/85/22/894868522.db2.gz PHCITUURMFIHNX-QAPCUYQASA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325762 894868528 /nfs/dbraw/zinc/86/85/28/894868528.db2.gz PHCITUURMFIHNX-QAPCUYQASA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000564325762 894868540 /nfs/dbraw/zinc/86/85/40/894868540.db2.gz PHCITUURMFIHNX-QAPCUYQASA-N 2 1 377.326 3.641 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC001135631291 894904558 /nfs/dbraw/zinc/90/45/58/894904558.db2.gz WLNGWUNVUJLRPF-YMPZKCBVSA-N 2 1 385.596 3.915 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001135631291 894904565 /nfs/dbraw/zinc/90/45/65/894904565.db2.gz WLNGWUNVUJLRPF-YMPZKCBVSA-N 2 1 385.596 3.915 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001135631291 894904576 /nfs/dbraw/zinc/90/45/76/894904576.db2.gz WLNGWUNVUJLRPF-YMPZKCBVSA-N 2 1 385.596 3.915 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000537406119 894923251 /nfs/dbraw/zinc/92/32/51/894923251.db2.gz BPDXLAOAVHOBAW-PMACEKPBSA-N 2 1 383.502 3.959 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC000879576052 895143680 /nfs/dbraw/zinc/14/36/80/895143680.db2.gz SMXCNYVZLMUFLR-NQIIRXRSSA-N 2 1 379.504 3.834 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC000879576052 895143683 /nfs/dbraw/zinc/14/36/83/895143683.db2.gz SMXCNYVZLMUFLR-NQIIRXRSSA-N 2 1 379.504 3.834 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC000879576052 895143686 /nfs/dbraw/zinc/14/36/86/895143686.db2.gz SMXCNYVZLMUFLR-NQIIRXRSSA-N 2 1 379.504 3.834 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC000879576052 895143689 /nfs/dbraw/zinc/14/36/89/895143689.db2.gz SMXCNYVZLMUFLR-NQIIRXRSSA-N 2 1 379.504 3.834 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC001135714392 895149618 /nfs/dbraw/zinc/14/96/18/895149618.db2.gz IAKOXKJZXYEUNY-LEWJYISDSA-N 2 1 387.955 3.924 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000564676224 895172126 /nfs/dbraw/zinc/17/21/26/895172126.db2.gz MOUKYHSUKCBGEO-FQEVSTJZSA-N 2 1 379.976 3.960 20 0 GHADMP CC(=O)Nc1ccc2c(C[N@@H+](CC(C)C)CC3CC[NH+](C)CC3)cc(=O)oc2c1 ZINC000879703050 895242395 /nfs/dbraw/zinc/24/23/95/895242395.db2.gz CAOFMYXPBPPPNO-UHFFFAOYSA-N 2 1 399.535 3.551 20 0 GHADMP Brc1ccccc1-c1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000565047450 895367806 /nfs/dbraw/zinc/36/78/06/895367806.db2.gz RPZLGTFTXFGKNO-HUUCEWRRSA-N 2 1 390.325 3.926 20 0 GHADMP Cc1ccccc1[C@H](O)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000817276997 895464306 /nfs/dbraw/zinc/46/43/06/895464306.db2.gz WEXXZENYLOWBRS-RUZDIDTESA-N 2 1 394.559 3.773 20 0 GHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCC[NH+]1CCC1 ZINC000565216128 895465073 /nfs/dbraw/zinc/46/50/73/895465073.db2.gz NWLYKZSMRGVVAJ-GFCCVEGCSA-N 2 1 377.838 3.761 20 0 GHADMP Cc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319512 895529783 /nfs/dbraw/zinc/52/97/83/895529783.db2.gz VFCBQBCERBLDIA-SDHOMARFSA-N 2 1 393.575 3.793 20 0 GHADMP Cc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319512 895529796 /nfs/dbraw/zinc/52/97/96/895529796.db2.gz VFCBQBCERBLDIA-SDHOMARFSA-N 2 1 393.575 3.793 20 0 GHADMP COc1ccc2ccccc2c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000565626036 895767492 /nfs/dbraw/zinc/76/74/92/895767492.db2.gz MNJGJJDAMSWJBO-WCRBZPEASA-N 2 1 379.548 3.591 20 0 GHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000565709208 895826527 /nfs/dbraw/zinc/82/65/27/895826527.db2.gz SANNEQVDQQJCIL-HCLVMJGWSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000565709208 895826535 /nfs/dbraw/zinc/82/65/35/895826535.db2.gz SANNEQVDQQJCIL-HCLVMJGWSA-N 2 1 388.502 3.759 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]21 ZINC000565833395 895917958 /nfs/dbraw/zinc/91/79/58/895917958.db2.gz BCNWCEODCCYAPN-NZSAHSFTSA-N 2 1 378.442 3.509 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000819015804 896348806 /nfs/dbraw/zinc/34/88/06/896348806.db2.gz PXUXYRHDFCDSPK-DYESRHJHSA-N 2 1 376.903 3.667 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645820 896449611 /nfs/dbraw/zinc/44/96/11/896449611.db2.gz ATVPCWPKEPMFEY-OALUTQOASA-N 2 1 391.625 3.990 20 0 GHADMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001136199959 896508123 /nfs/dbraw/zinc/50/81/23/896508123.db2.gz NMJDRUCNOMUDNW-BJKOFHAPSA-N 2 1 391.559 3.604 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282845 896526999 /nfs/dbraw/zinc/52/69/99/896526999.db2.gz CDLPLJCUJVPBIA-VWNXMTODSA-N 2 1 382.548 3.545 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000819445438 896680810 /nfs/dbraw/zinc/68/08/10/896680810.db2.gz RICSPQMOOXVOEZ-JOCHJYFZSA-N 2 1 389.490 3.888 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(c4ccc(C)cc4C)CC3)CC2)CC1 ZINC000566925182 896702078 /nfs/dbraw/zinc/70/20/78/896702078.db2.gz YNIIXSCMJGKDPS-UHFFFAOYSA-N 2 1 397.607 3.648 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)CC1 ZINC000567148071 896914759 /nfs/dbraw/zinc/91/47/59/896914759.db2.gz BLJNUEHQEAUSJM-QGZVFWFLSA-N 2 1 391.353 3.889 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001136319112 897239977 /nfs/dbraw/zinc/23/99/77/897239977.db2.gz CJHIJZUKTLAVSH-XZOQPEGZSA-N 2 1 397.538 3.908 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000568009277 897532345 /nfs/dbraw/zinc/53/23/45/897532345.db2.gz QGSZCZVDFBOXCZ-HRAATJIYSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000568009277 897532363 /nfs/dbraw/zinc/53/23/63/897532363.db2.gz QGSZCZVDFBOXCZ-HRAATJIYSA-N 2 1 381.524 3.558 20 0 GHADMP COc1ccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000820806154 897534982 /nfs/dbraw/zinc/53/49/82/897534982.db2.gz BFFPORKLPXTCOK-PQFKCJEGSA-N 2 1 380.532 3.904 20 0 GHADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1F ZINC000568198764 897667707 /nfs/dbraw/zinc/66/77/07/897667707.db2.gz HTNZGHFJTZDWOW-NRFANRHFSA-N 2 1 393.522 3.728 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000568207149 897674554 /nfs/dbraw/zinc/67/45/54/897674554.db2.gz YHGBTGLLJSVIOE-UHFFFAOYSA-N 2 1 383.580 3.767 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC001136420781 897769177 /nfs/dbraw/zinc/76/91/77/897769177.db2.gz VHQGRQZHEPFQHS-OLMNPRSZSA-N 2 1 385.474 3.545 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000568609573 897979628 /nfs/dbraw/zinc/97/96/28/897979628.db2.gz FSEMSWISKMVVPE-PNHOKKKMSA-N 2 1 386.927 3.604 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000568609573 897979637 /nfs/dbraw/zinc/97/96/37/897979637.db2.gz FSEMSWISKMVVPE-PNHOKKKMSA-N 2 1 386.927 3.604 20 0 GHADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)OCCc2sccc21 ZINC000568687866 898036138 /nfs/dbraw/zinc/03/61/38/898036138.db2.gz SSZCERDQWLMYAP-QFIPXVFZSA-N 2 1 388.552 3.972 20 0 GHADMP CC(C)[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001136529713 898174979 /nfs/dbraw/zinc/17/49/79/898174979.db2.gz MLTVJPBRKZKJCT-QHCPKHFHSA-N 2 1 385.596 3.664 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569118402 898352042 /nfs/dbraw/zinc/35/20/42/898352042.db2.gz GYCOKOSVGNOKTB-OAQYLSRUSA-N 2 1 393.531 3.671 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569118402 898352061 /nfs/dbraw/zinc/35/20/61/898352061.db2.gz GYCOKOSVGNOKTB-OAQYLSRUSA-N 2 1 393.531 3.671 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCCOc1ccccc1C(F)(F)F)CCO2 ZINC000646104256 914259354 /nfs/dbraw/zinc/25/93/54/914259354.db2.gz FDBXKHCAGDEQIZ-UHFFFAOYSA-N 2 1 386.458 3.661 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc1)C2 ZINC000289640126 914276278 /nfs/dbraw/zinc/27/62/78/914276278.db2.gz XNSLIJWTIHHGHX-SPEDKVCISA-N 2 1 394.563 3.548 20 0 GHADMP Nc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ccccc12 ZINC000570117717 899136416 /nfs/dbraw/zinc/13/64/16/899136416.db2.gz HNUNYNPMYPEGFR-UHFFFAOYSA-N 2 1 387.531 3.530 20 0 GHADMP Fc1cccn2cc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc12 ZINC000646213097 914325401 /nfs/dbraw/zinc/32/54/01/914325401.db2.gz YHXOQLJRJNHYSV-UHFFFAOYSA-N 2 1 378.495 3.962 20 0 GHADMP Fc1cccn2cc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)nc12 ZINC000646213097 914325416 /nfs/dbraw/zinc/32/54/16/914325416.db2.gz YHXOQLJRJNHYSV-UHFFFAOYSA-N 2 1 378.495 3.962 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cn1 ZINC000823677120 899203750 /nfs/dbraw/zinc/20/37/50/899203750.db2.gz PYLSFYWHUQWIHA-WMZOPIPTSA-N 2 1 399.539 3.701 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000823737178 899210576 /nfs/dbraw/zinc/21/05/76/899210576.db2.gz UBXLCFJEWJUJBI-MOPGFXCFSA-N 2 1 385.552 3.553 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000772875440 899221331 /nfs/dbraw/zinc/22/13/31/899221331.db2.gz LVHPIZMCYQUBND-AZUAARDMSA-N 2 1 397.604 3.644 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000570633017 899456606 /nfs/dbraw/zinc/45/66/06/899456606.db2.gz UJZZHFZAOISROW-NWDGAFQWSA-N 2 1 390.742 3.907 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000570633017 899456612 /nfs/dbraw/zinc/45/66/12/899456612.db2.gz UJZZHFZAOISROW-NWDGAFQWSA-N 2 1 390.742 3.907 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cc5c(cccc5Cl)[nH]4)C[C@H]3C2)cn1 ZINC001136860982 899542818 /nfs/dbraw/zinc/54/28/18/899542818.db2.gz KJAPEZBLIOIPGS-IAGOWNOFSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(Cc4cc5c(cccc5Cl)[nH]4)C[C@H]3C2)cn1 ZINC001136860982 899542826 /nfs/dbraw/zinc/54/28/26/899542826.db2.gz KJAPEZBLIOIPGS-IAGOWNOFSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(Cc4cc5c(cccc5Cl)[nH]4)C[C@H]3C2)cn1 ZINC001136860982 899542828 /nfs/dbraw/zinc/54/28/28/899542828.db2.gz KJAPEZBLIOIPGS-IAGOWNOFSA-N 2 1 383.927 3.509 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)cc1 ZINC000824494733 899637867 /nfs/dbraw/zinc/63/78/67/899637867.db2.gz MQRLCFUQDPNIDU-VVHHDAOASA-N 2 1 382.508 3.697 20 0 GHADMP Cc1ccn2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)cnc2c1 ZINC001136889361 899649571 /nfs/dbraw/zinc/64/95/71/899649571.db2.gz UDPJQVPBNLOBFJ-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP Cc1nc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)sc1Br ZINC000824590793 899708117 /nfs/dbraw/zinc/70/81/17/899708117.db2.gz POXGVGDETSDPEO-UHFFFAOYSA-N 2 1 398.370 3.834 20 0 GHADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824585285 899724413 /nfs/dbraw/zinc/72/44/13/899724413.db2.gz PEGRWOFTRREUFZ-IERDGZPVSA-N 2 1 376.508 3.669 20 0 GHADMP CC[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000824666438 899752820 /nfs/dbraw/zinc/75/28/20/899752820.db2.gz LRSKOPJDIFKZAJ-MISYRCLQSA-N 2 1 375.557 3.790 20 0 GHADMP CC(C)[C@@H](CC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)NC(=O)OC(C)(C)C ZINC000824913401 899875437 /nfs/dbraw/zinc/87/54/37/899875437.db2.gz ROPSHTQXRBXOHM-LJQANCHMSA-N 2 1 387.528 3.639 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000333108596 899969123 /nfs/dbraw/zinc/96/91/23/899969123.db2.gz GASUAQHDQFNHFG-IERDGZPVSA-N 2 1 398.576 3.575 20 0 GHADMP C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)c1 ZINC000572143896 900078898 /nfs/dbraw/zinc/07/88/98/900078898.db2.gz ZJXGBPCVUREFQB-IRUYWQDXSA-N 2 1 390.568 3.520 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000134783165 900118748 /nfs/dbraw/zinc/11/87/48/900118748.db2.gz HCSGZBWUTFRXIO-SJORKVTESA-N 2 1 390.572 3.797 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC001137044500 900198961 /nfs/dbraw/zinc/19/89/61/900198961.db2.gz ZGVYPIQPBGBCSK-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137044500 900198968 /nfs/dbraw/zinc/19/89/68/900198968.db2.gz ZGVYPIQPBGBCSK-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137044500 900198975 /nfs/dbraw/zinc/19/89/75/900198975.db2.gz ZGVYPIQPBGBCSK-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP [NH3+][C@@H]1CCc2c3ccccc3n(-c3c[nH+]c4cccc(Br)n43)c2C1 ZINC001171092717 900227405 /nfs/dbraw/zinc/22/74/05/900227405.db2.gz DUBLAGOSDDLMHE-GFCCVEGCSA-N 2 1 381.277 3.857 20 0 GHADMP CC[N@H+](C)[C@@H](c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)c1ccccc1 ZINC000573014948 900342480 /nfs/dbraw/zinc/34/24/80/900342480.db2.gz HLOVDMSMWJIIMO-OAQYLSRUSA-N 2 1 391.519 3.530 20 0 GHADMP CC[N@@H+](C)[C@@H](c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)c1ccccc1 ZINC000573014948 900342496 /nfs/dbraw/zinc/34/24/96/900342496.db2.gz HLOVDMSMWJIIMO-OAQYLSRUSA-N 2 1 391.519 3.530 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3OC3CCCC3)C2)nn1 ZINC000573070962 900367033 /nfs/dbraw/zinc/36/70/33/900367033.db2.gz FYZPSWNLUYDLIS-GOSISDBHSA-N 2 1 389.931 3.549 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OC3CCCC3)C2)nn1 ZINC000573070962 900367044 /nfs/dbraw/zinc/36/70/44/900367044.db2.gz FYZPSWNLUYDLIS-GOSISDBHSA-N 2 1 389.931 3.549 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](c4ccccc4)CC3(C)C)CC2)CC1 ZINC000885233478 900434122 /nfs/dbraw/zinc/43/41/22/900434122.db2.gz DVEWMKSXFFVVFF-QFIPXVFZSA-N 2 1 397.607 3.977 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000574034052 900753133 /nfs/dbraw/zinc/75/31/33/900753133.db2.gz XDEOYTAVSXWJDW-KNKQGSTJSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000574034052 900753150 /nfs/dbraw/zinc/75/31/50/900753150.db2.gz XDEOYTAVSXWJDW-KNKQGSTJSA-N 2 1 388.577 3.777 20 0 GHADMP [NH3+]C1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCCC1 ZINC000574191642 900812854 /nfs/dbraw/zinc/81/28/54/900812854.db2.gz MGMQWSBUGHOLQG-UHFFFAOYSA-N 2 1 384.351 3.736 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886504009 901092152 /nfs/dbraw/zinc/09/21/52/901092152.db2.gz NUOOEEGHMQEKDS-BVSLBCMMSA-N 2 1 383.580 3.666 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCC(C)([NH+]4CCCC4)CC3)CC2)oc1C ZINC000886526721 901125092 /nfs/dbraw/zinc/12/50/92/901125092.db2.gz QWOXQMKCPPQGAK-UHFFFAOYSA-N 3 1 388.600 3.890 20 0 GHADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000575375984 901221645 /nfs/dbraw/zinc/22/16/45/901221645.db2.gz HIOWLQUEZDDWGW-FGZHOGPDSA-N 2 1 383.580 3.799 20 0 GHADMP CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575752963 901276011 /nfs/dbraw/zinc/27/60/11/901276011.db2.gz UAHROZQPXYNIHW-HSZRJFAPSA-N 2 1 391.559 3.575 20 0 GHADMP C([C@@H](C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815275 901284496 /nfs/dbraw/zinc/28/44/96/901284496.db2.gz APHKQPMRAVUUBZ-HTUFRPJOSA-N 2 1 390.612 3.795 20 0 GHADMP C([C@H](C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886815275 901284508 /nfs/dbraw/zinc/28/45/08/901284508.db2.gz APHKQPMRAVUUBZ-HTUFRPJOSA-N 2 1 390.612 3.795 20 0 GHADMP C([C@H](C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886815275 901284528 /nfs/dbraw/zinc/28/45/28/901284528.db2.gz APHKQPMRAVUUBZ-HTUFRPJOSA-N 2 1 390.612 3.795 20 0 GHADMP C[N@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000282968039 901335681 /nfs/dbraw/zinc/33/56/81/901335681.db2.gz CQBRUUQLEKBFKP-QFIPXVFZSA-N 2 1 391.559 3.745 20 0 GHADMP C[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000282968039 901335693 /nfs/dbraw/zinc/33/56/93/901335693.db2.gz CQBRUUQLEKBFKP-QFIPXVFZSA-N 2 1 391.559 3.745 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCN(c4ccccn4)CC3)CC23CC3)cc1 ZINC000575987894 901557933 /nfs/dbraw/zinc/55/79/33/901557933.db2.gz PQNUCHYTITYHNE-QFIPXVFZSA-N 2 1 376.548 3.837 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCN(c4ccccn4)CC3)CC23CC3)cc1 ZINC000575987894 901557941 /nfs/dbraw/zinc/55/79/41/901557941.db2.gz PQNUCHYTITYHNE-QFIPXVFZSA-N 2 1 376.548 3.837 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1CC1CC[NH2+]CC1 ZINC000576163482 901744999 /nfs/dbraw/zinc/74/49/99/901744999.db2.gz QUAOWZARVIOFIZ-QHCPKHFHSA-N 2 1 391.559 3.623 20 0 GHADMP CCC(CC)(CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[NH2+][C@H](C)c1ccccc1 ZINC000576164849 901745752 /nfs/dbraw/zinc/74/57/52/901745752.db2.gz KXLZSWPYVOJRST-YLJYHZDGSA-N 2 1 382.552 3.780 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nc(-c4c(F)cccc4F)cs3)CC2)C1 ZINC000576376444 901982038 /nfs/dbraw/zinc/98/20/38/901982038.db2.gz JOKORCCMMGLNMK-RDTXWAMCSA-N 2 1 393.503 3.807 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000576647053 902156828 /nfs/dbraw/zinc/15/68/28/902156828.db2.gz OSCQTKGETPYEKC-MRXNPFEDSA-N 2 1 393.522 3.681 20 0 GHADMP CCOc1c(Cl)cccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000577196015 902579652 /nfs/dbraw/zinc/57/96/52/902579652.db2.gz KAPMWACOLFRYHQ-SFHVURJKSA-N 2 1 393.984 3.879 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4CCc5[nH+]ccn5C4)n3)cc2)CC1 ZINC000577334604 902692527 /nfs/dbraw/zinc/69/25/27/902692527.db2.gz HZIUVYUNLJLMIU-LJQANCHMSA-N 2 1 377.492 3.895 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCNC(=O)OC(C)(C)C ZINC000775034862 914655868 /nfs/dbraw/zinc/65/58/68/914655868.db2.gz SJARHTHKZLPMMK-RUYXUALKSA-N 2 1 375.557 3.647 20 0 GHADMP CCCOc1cccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000577561885 902888456 /nfs/dbraw/zinc/88/84/56/902888456.db2.gz HXEIWGYEMHSONP-BGYRXZFFSA-N 2 1 390.568 3.566 20 0 GHADMP CCCOc1cccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000577561885 902888469 /nfs/dbraw/zinc/88/84/69/902888469.db2.gz HXEIWGYEMHSONP-BGYRXZFFSA-N 2 1 390.568 3.566 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000646566383 914673434 /nfs/dbraw/zinc/67/34/34/914673434.db2.gz MSCPQWNTZBESKI-MRXNPFEDSA-N 2 1 377.960 3.714 20 0 GHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC000779025495 903122887 /nfs/dbraw/zinc/12/28/87/903122887.db2.gz SDDDPEHNLMKENW-VQIMIIECSA-N 2 1 383.458 3.711 20 0 GHADMP CC(C)[N@@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC001171250462 903175491 /nfs/dbraw/zinc/17/54/91/903175491.db2.gz YLFZZJJWIMLEDJ-ZEQRLZLVSA-N 2 1 393.575 3.891 20 0 GHADMP CC(C)[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC001171250462 903175495 /nfs/dbraw/zinc/17/54/95/903175495.db2.gz YLFZZJJWIMLEDJ-ZEQRLZLVSA-N 2 1 393.575 3.891 20 0 GHADMP CC(C)[NH+](C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC001171250462 903175501 /nfs/dbraw/zinc/17/55/01/903175501.db2.gz YLFZZJJWIMLEDJ-ZEQRLZLVSA-N 2 1 393.575 3.891 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846901185 903299153 /nfs/dbraw/zinc/29/91/53/903299153.db2.gz GCAXNIMPWONFIH-UHFFFAOYSA-N 2 1 376.545 3.741 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846901185 903299160 /nfs/dbraw/zinc/29/91/60/903299160.db2.gz GCAXNIMPWONFIH-UHFFFAOYSA-N 2 1 376.545 3.741 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290531025 914720377 /nfs/dbraw/zinc/72/03/77/914720377.db2.gz QSAKLMKCYQZTRX-UHFFFAOYSA-N 2 1 380.492 3.696 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000290531025 914720397 /nfs/dbraw/zinc/72/03/97/914720397.db2.gz QSAKLMKCYQZTRX-UHFFFAOYSA-N 2 1 380.492 3.696 20 0 GHADMP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000578477330 903883406 /nfs/dbraw/zinc/88/34/06/903883406.db2.gz NAGSSQKFRAOQAF-SFHVURJKSA-N 2 1 384.524 3.540 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CCC2)o1 ZINC000578580011 903979821 /nfs/dbraw/zinc/97/98/21/903979821.db2.gz PVJAFWUDCPJXAB-GGAORHGYSA-N 2 1 395.547 3.916 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000779079490 903987372 /nfs/dbraw/zinc/98/73/72/903987372.db2.gz SKIBLUZLVBXWCR-VDZJLULYSA-N 2 1 390.572 3.938 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000578687904 904052794 /nfs/dbraw/zinc/05/27/94/904052794.db2.gz XCXVEZAPRCHTEN-BMRADRMJSA-N 2 1 381.511 3.649 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+](C)CCCn3cc[nH+]c3C)c2C)cc1 ZINC000578819748 904148201 /nfs/dbraw/zinc/14/82/01/904148201.db2.gz YISRQRXLWSBUFD-UHFFFAOYSA-N 2 1 381.524 3.584 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+](C)CCCn3cc[nH+]c3C)c2C)cc1 ZINC000578819748 904148207 /nfs/dbraw/zinc/14/82/07/904148207.db2.gz YISRQRXLWSBUFD-UHFFFAOYSA-N 2 1 381.524 3.584 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000159844653 904211418 /nfs/dbraw/zinc/21/14/18/904211418.db2.gz YJCMKYRFBNXTOC-UHFFFAOYSA-N 2 1 395.547 3.828 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000159844653 904211433 /nfs/dbraw/zinc/21/14/33/904211433.db2.gz YJCMKYRFBNXTOC-UHFFFAOYSA-N 2 1 395.547 3.828 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369736 904368934 /nfs/dbraw/zinc/36/89/34/904368934.db2.gz IHOFFNAODZVKLN-GREBRCKQSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369736 904368950 /nfs/dbraw/zinc/36/89/50/904368950.db2.gz IHOFFNAODZVKLN-GREBRCKQSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369736 904368965 /nfs/dbraw/zinc/36/89/65/904368965.db2.gz IHOFFNAODZVKLN-GREBRCKQSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171369736 904368978 /nfs/dbraw/zinc/36/89/78/904368978.db2.gz IHOFFNAODZVKLN-GREBRCKQSA-N 2 1 390.518 3.502 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000579248991 904454487 /nfs/dbraw/zinc/45/44/87/904454487.db2.gz XMTKCMABHZBINW-WMZHIEFXSA-N 2 1 383.580 3.792 20 0 GHADMP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)CC1(C)C ZINC001171638420 904927596 /nfs/dbraw/zinc/92/75/96/904927596.db2.gz WIGJTNQYVMZTKX-DFQSSKMNSA-N 2 1 387.568 3.591 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)CC1(C)C ZINC001171638420 904927606 /nfs/dbraw/zinc/92/76/06/904927606.db2.gz WIGJTNQYVMZTKX-DFQSSKMNSA-N 2 1 387.568 3.591 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001171746835 904971744 /nfs/dbraw/zinc/97/17/44/904971744.db2.gz SUBOELGFNHSWCE-WAABAYLZSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171746835 904971752 /nfs/dbraw/zinc/97/17/52/904971752.db2.gz SUBOELGFNHSWCE-WAABAYLZSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171746835 904971762 /nfs/dbraw/zinc/97/17/62/904971762.db2.gz SUBOELGFNHSWCE-WAABAYLZSA-N 2 1 393.575 3.529 20 0 GHADMP C[C@@H]1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171744117 904971814 /nfs/dbraw/zinc/97/18/14/904971814.db2.gz DNBAMJKBGPKEMK-JCGDZPIRSA-N 2 1 375.560 3.980 20 0 GHADMP C[C@@H]1C[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171744117 904971824 /nfs/dbraw/zinc/97/18/24/904971824.db2.gz DNBAMJKBGPKEMK-JCGDZPIRSA-N 2 1 375.560 3.980 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767388 905006922 /nfs/dbraw/zinc/00/69/22/905006922.db2.gz NJLHZZDVVMSKHZ-HVHOJJEHSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767388 905006940 /nfs/dbraw/zinc/00/69/40/905006940.db2.gz NJLHZZDVVMSKHZ-HVHOJJEHSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767388 905006953 /nfs/dbraw/zinc/00/69/53/905006953.db2.gz NJLHZZDVVMSKHZ-HVHOJJEHSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171737936 905020746 /nfs/dbraw/zinc/02/07/46/905020746.db2.gz FATOADQMGDORIE-XXBNENTESA-N 2 1 381.539 3.825 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2Cc3cccc(F)c3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001171787034 905047228 /nfs/dbraw/zinc/04/72/28/905047228.db2.gz GFBHYEJKEQLUEC-ACRUOGEOSA-N 2 1 396.506 3.852 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171872050 905076718 /nfs/dbraw/zinc/07/67/18/905076718.db2.gz VKHIJKBHOGCHDO-OAQYLSRUSA-N 2 1 392.547 3.643 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171991506 905203950 /nfs/dbraw/zinc/20/39/50/905203950.db2.gz YXPWSNHJCGVVPQ-WOJBJXKFSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171991506 905203962 /nfs/dbraw/zinc/20/39/62/905203962.db2.gz YXPWSNHJCGVVPQ-WOJBJXKFSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171991506 905203975 /nfs/dbraw/zinc/20/39/75/905203975.db2.gz YXPWSNHJCGVVPQ-WOJBJXKFSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171991506 905203985 /nfs/dbraw/zinc/20/39/85/905203985.db2.gz YXPWSNHJCGVVPQ-WOJBJXKFSA-N 2 1 384.499 3.512 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171969108 905214455 /nfs/dbraw/zinc/21/44/55/905214455.db2.gz TUYXVONFZAVOIN-MXEMCNAFSA-N 2 1 399.579 3.885 20 0 GHADMP CN(C)C1=NOC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001172075957 905286556 /nfs/dbraw/zinc/28/65/56/905286556.db2.gz ZCJVEFJOFSJBBG-ZBYYUNFXSA-N 2 1 396.579 3.702 20 0 GHADMP CN(C)C1=NOC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172075957 905286571 /nfs/dbraw/zinc/28/65/71/905286571.db2.gz ZCJVEFJOFSJBBG-ZBYYUNFXSA-N 2 1 396.579 3.702 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090980 905312054 /nfs/dbraw/zinc/31/20/54/905312054.db2.gz YXXRFPQNISXXAH-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090980 905312069 /nfs/dbraw/zinc/31/20/69/905312069.db2.gz YXXRFPQNISXXAH-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090980 905312075 /nfs/dbraw/zinc/31/20/75/905312075.db2.gz YXXRFPQNISXXAH-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090980 905312093 /nfs/dbraw/zinc/31/20/93/905312093.db2.gz YXXRFPQNISXXAH-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172098149 905318956 /nfs/dbraw/zinc/31/89/56/905318956.db2.gz ANYZIXXXGSROFO-RDGPPVDQSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172098149 905318970 /nfs/dbraw/zinc/31/89/70/905318970.db2.gz ANYZIXXXGSROFO-RDGPPVDQSA-N 2 1 377.573 3.771 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172062921 905324415 /nfs/dbraw/zinc/32/44/15/905324415.db2.gz SOYPQXVHRHRNTD-BKFWDETESA-N 2 1 391.559 3.820 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062921 905324423 /nfs/dbraw/zinc/32/44/23/905324423.db2.gz SOYPQXVHRHRNTD-BKFWDETESA-N 2 1 391.559 3.820 20 0 GHADMP COc1cc(C)[nH]c(=O)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067023 905334947 /nfs/dbraw/zinc/33/49/47/905334947.db2.gz DPJBBONAAWQDSB-ACDBMABISA-N 2 1 381.520 3.780 20 0 GHADMP COc1cc(C)[nH]c(=O)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067023 905334964 /nfs/dbraw/zinc/33/49/64/905334964.db2.gz DPJBBONAAWQDSB-ACDBMABISA-N 2 1 381.520 3.780 20 0 GHADMP CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172117992 905372072 /nfs/dbraw/zinc/37/20/72/905372072.db2.gz TZDZBWCKEKYNBA-BJESRGMDSA-N 2 1 395.591 3.872 20 0 GHADMP Cc1ccc(C[NH+]2CCOC3(CCN([C@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001172117467 905372790 /nfs/dbraw/zinc/37/27/90/905372790.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 2 1 397.607 3.677 20 0 GHADMP Cc1ccc(C[N@@H+]2CCOC3(CCN([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001172117467 905372799 /nfs/dbraw/zinc/37/27/99/905372799.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 2 1 397.607 3.677 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001172117467 905372825 /nfs/dbraw/zinc/37/28/25/905372825.db2.gz QIVMHMLIENSPHL-UBRQYEGLSA-N 2 1 397.607 3.677 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COc3ccccn3)CC1)C2 ZINC001172118305 905374606 /nfs/dbraw/zinc/37/46/06/905374606.db2.gz VAGMCPQXCZKQRT-CZYKHXBRSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COc3ccccn3)CC1)C2 ZINC001172118305 905374622 /nfs/dbraw/zinc/37/46/22/905374622.db2.gz VAGMCPQXCZKQRT-CZYKHXBRSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COCC3CC3)CC1)C2 ZINC001172118918 905375171 /nfs/dbraw/zinc/37/51/71/905375171.db2.gz ZEMNTFSPSCXQBF-FNAHDJPLSA-N 2 1 376.585 3.547 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COCC3CC3)CC1)C2 ZINC001172118918 905375190 /nfs/dbraw/zinc/37/51/90/905375190.db2.gz ZEMNTFSPSCXQBF-FNAHDJPLSA-N 2 1 376.585 3.547 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+]([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)n1 ZINC001172119078 905375670 /nfs/dbraw/zinc/37/56/70/905375670.db2.gz SJNPPFDINJCMEP-CQXMTJGFSA-N 2 1 384.568 3.767 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@H]3O2)n1 ZINC001172119078 905375681 /nfs/dbraw/zinc/37/56/81/905375681.db2.gz SJNPPFDINJCMEP-CQXMTJGFSA-N 2 1 384.568 3.767 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[NH+]([C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)n1 ZINC001172119078 905375696 /nfs/dbraw/zinc/37/56/96/905375696.db2.gz SJNPPFDINJCMEP-CQXMTJGFSA-N 2 1 384.568 3.767 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001172121112 905377744 /nfs/dbraw/zinc/37/77/44/905377744.db2.gz OWQZDEQZSRODAN-REPLKXPHSA-N 2 1 377.573 3.867 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001172209629 905407991 /nfs/dbraw/zinc/40/79/91/905407991.db2.gz MWCWWADWHPUZNQ-JSOIOWGOSA-N 2 1 378.944 3.767 20 0 GHADMP CC[NH+]1CCC([NH2+]C2CCC(C(=O)OC)(c3ccc(Cl)cc3)CC2)CC1 ZINC001172209290 905408367 /nfs/dbraw/zinc/40/83/67/905408367.db2.gz GBPIBMYBDREGFJ-UHFFFAOYSA-N 2 1 378.944 3.767 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001172217479 905420431 /nfs/dbraw/zinc/42/04/31/905420431.db2.gz KBWVMJJTJLCGII-UHFFFAOYSA-N 2 1 390.955 3.864 20 0 GHADMP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172570569 905632658 /nfs/dbraw/zinc/63/26/58/905632658.db2.gz JNKILOPSEOECGH-INIZCTEOSA-N 2 1 387.946 3.899 20 0 GHADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)NC(=O)OC(C)(C)C ZINC000801586003 921168499 /nfs/dbraw/zinc/16/84/99/921168499.db2.gz XQVMPCZEMVAMLO-PKOBYXMFSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)NC(=O)OC(C)(C)C ZINC000801586003 921168507 /nfs/dbraw/zinc/16/85/07/921168507.db2.gz XQVMPCZEMVAMLO-PKOBYXMFSA-N 2 1 375.557 3.790 20 0 GHADMP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172668145 905753646 /nfs/dbraw/zinc/75/36/46/905753646.db2.gz VRHKDDPIROMMDZ-IBGZPJMESA-N 2 1 397.950 3.781 20 0 GHADMP COc1cccc(C[N@@H+]([C@H](C)CCC(=O)OC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172750536 905788229 /nfs/dbraw/zinc/78/82/29/905788229.db2.gz HROUPSUGBKIHCI-MISYRCLQSA-N 2 1 376.541 3.887 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172810434 905843499 /nfs/dbraw/zinc/84/34/99/905843499.db2.gz SHZHBEDJGOPRGM-YBVXAUJNSA-N 2 1 385.552 3.790 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@H](C)Cc2ccc(F)cc2Cl)c2c1CC[NH2+]C2 ZINC001172865621 905881409 /nfs/dbraw/zinc/88/14/09/905881409.db2.gz DJFYFGHJBCEHQH-CQSZACIVSA-N 2 1 378.923 3.965 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3COC4(CCCCCC4)O3)CC2)cc1 ZINC000777313642 905974158 /nfs/dbraw/zinc/97/41/58/905974158.db2.gz JASGEZBDWQGNFZ-QFIPXVFZSA-N 2 1 390.543 3.888 20 0 GHADMP Cc1cccc(N([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001172969370 906031721 /nfs/dbraw/zinc/03/17/21/906031721.db2.gz XZHNKHSMLAVBIB-KRWDZBQOSA-N 2 1 376.545 3.594 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCCC2)C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001172998310 906072648 /nfs/dbraw/zinc/07/26/48/906072648.db2.gz XLQFZVVHIOHIRN-XUTJKUGGSA-N 2 1 387.543 3.945 20 0 GHADMP [NH3+]C1(c2ccc(C(F)(F)F)cc2)CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173124139 906208625 /nfs/dbraw/zinc/20/86/25/906208625.db2.gz DWVFSTODFNNRTP-HNNXBMFYSA-N 2 1 381.467 3.969 20 0 GHADMP CCCC[C@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001173255773 906340751 /nfs/dbraw/zinc/34/07/51/906340751.db2.gz CODVCFVVRNMMCP-HXUWFJFHSA-N 2 1 376.589 3.896 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@@H+](CC(C)C)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC001173401212 906428416 /nfs/dbraw/zinc/42/84/16/906428416.db2.gz DCQVYOJDXZGRHF-MXVIHJGJSA-N 2 1 387.568 3.528 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001173556853 906530885 /nfs/dbraw/zinc/53/08/85/906530885.db2.gz LFOJYDZLDYVVTB-VNCLNFNDSA-N 2 1 399.373 3.734 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634126 906585582 /nfs/dbraw/zinc/58/55/82/906585582.db2.gz OPZMXCVFFPFDEV-CWJKEVGVSA-N 2 1 388.552 3.889 20 0 GHADMP FC(F)(F)CN1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001173671979 906608933 /nfs/dbraw/zinc/60/89/33/906608933.db2.gz JCDAITCJMYFAIR-PMACEKPBSA-N 2 1 395.513 3.857 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001173671979 906608975 /nfs/dbraw/zinc/60/89/75/906608975.db2.gz JCDAITCJMYFAIR-PMACEKPBSA-N 2 1 395.513 3.857 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001173671979 906609094 /nfs/dbraw/zinc/60/90/94/906609094.db2.gz JCDAITCJMYFAIR-PMACEKPBSA-N 2 1 395.513 3.857 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001173708461 906658278 /nfs/dbraw/zinc/65/82/78/906658278.db2.gz HZOJJYSGDQDIKE-UGKGYDQZSA-N 2 1 380.532 3.906 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3nc4ccc(Cl)cc4n3C)CC2)nc(C)[nH+]1 ZINC000180144806 906700013 /nfs/dbraw/zinc/70/00/13/906700013.db2.gz JMGFNAXQOPIXOU-CQSZACIVSA-N 2 1 398.942 3.953 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000629532890 906858665 /nfs/dbraw/zinc/85/86/65/906858665.db2.gz XHUTZJGQVUEGRB-MSOLQXFVSA-N 2 1 396.318 3.977 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000629601012 906892526 /nfs/dbraw/zinc/89/25/26/906892526.db2.gz DEANVIACCHWACX-JOCHJYFZSA-N 2 1 383.536 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000629601012 906892537 /nfs/dbraw/zinc/89/25/37/906892537.db2.gz DEANVIACCHWACX-JOCHJYFZSA-N 2 1 383.536 3.826 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1C(F)(F)F ZINC000629657544 906933484 /nfs/dbraw/zinc/93/34/84/906933484.db2.gz ZJBSXVWSUDMXMC-FUHWJXTLSA-N 2 1 388.437 3.985 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@H]1C(F)(F)F ZINC000629657544 906933493 /nfs/dbraw/zinc/93/34/93/906933493.db2.gz ZJBSXVWSUDMXMC-FUHWJXTLSA-N 2 1 388.437 3.985 20 0 GHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)nc2)cc1 ZINC000629702234 906971577 /nfs/dbraw/zinc/97/15/77/906971577.db2.gz KJVWPSRAFKSXLY-UWJYYQICSA-N 2 1 378.520 3.671 20 0 GHADMP COc1cc(N2CC[NH+](C)CC2)ccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174397395 907001638 /nfs/dbraw/zinc/00/16/38/907001638.db2.gz XQEMKTHGZISNJQ-UHFFFAOYSA-N 2 1 392.547 3.649 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC(F)F)c1 ZINC000182272359 907173977 /nfs/dbraw/zinc/17/39/77/907173977.db2.gz HVKIZZBKBCAJMB-KXBFYZLASA-N 2 1 376.447 3.705 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(N4CC[NH+](C)CC4)cc3)c2C1 ZINC001174813664 907245394 /nfs/dbraw/zinc/24/53/94/907245394.db2.gz LFRQCGIVLWCWKZ-UHFFFAOYSA-N 2 1 385.581 3.594 20 0 GHADMP CCCC[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983194 907333450 /nfs/dbraw/zinc/33/34/50/907333450.db2.gz FQDOORQESRALFM-GOSISDBHSA-N 2 1 399.620 3.673 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](n2cncn2)C(F)(F)F)CC1 ZINC000631689846 907808954 /nfs/dbraw/zinc/80/89/54/907808954.db2.gz FFSQOLJFCMRCOI-OAHLLOKOSA-N 2 1 375.483 3.650 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185759078 907831706 /nfs/dbraw/zinc/83/17/06/907831706.db2.gz YWBYZYXYUDJKTG-OWCLPIDISA-N 2 1 395.494 3.858 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185759078 907831721 /nfs/dbraw/zinc/83/17/21/907831721.db2.gz YWBYZYXYUDJKTG-OWCLPIDISA-N 2 1 395.494 3.858 20 0 GHADMP C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000186629100 907957753 /nfs/dbraw/zinc/95/77/53/907957753.db2.gz MOVITBLSXQPGTL-SBUREZEXSA-N 2 1 396.510 3.940 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cc1F ZINC000187021430 908020869 /nfs/dbraw/zinc/02/08/69/908020869.db2.gz NHNPEBFFRWNQSN-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000189538838 908345440 /nfs/dbraw/zinc/34/54/40/908345440.db2.gz APZSUWWCOGILOV-UHFFFAOYSA-N 2 1 390.597 3.575 20 0 GHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC001177318905 908524754 /nfs/dbraw/zinc/52/47/54/908524754.db2.gz JSSIXCOITVEGJC-GFCCVEGCSA-N 2 1 377.273 3.790 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC001177318905 908524765 /nfs/dbraw/zinc/52/47/65/908524765.db2.gz JSSIXCOITVEGJC-GFCCVEGCSA-N 2 1 377.273 3.790 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH+]1Cc1ccco1 ZINC001177625637 908677421 /nfs/dbraw/zinc/67/74/21/908677421.db2.gz GNSNNTMOMYQTEW-QXUYBEEESA-N 2 1 393.531 3.556 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH+]1Cc1ccco1 ZINC001177625637 908677429 /nfs/dbraw/zinc/67/74/29/908677429.db2.gz GNSNNTMOMYQTEW-QXUYBEEESA-N 2 1 393.531 3.556 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001177625637 908677439 /nfs/dbraw/zinc/67/74/39/908677439.db2.gz GNSNNTMOMYQTEW-QXUYBEEESA-N 2 1 393.531 3.556 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001177625637 908677447 /nfs/dbraw/zinc/67/74/47/908677447.db2.gz GNSNNTMOMYQTEW-QXUYBEEESA-N 2 1 393.531 3.556 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC001178463447 909065850 /nfs/dbraw/zinc/06/58/50/909065850.db2.gz QETIXLBZFZYDHE-GOSISDBHSA-N 2 1 385.558 3.728 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2OCC[NH+](CC)CC)C1 ZINC000266963867 909351761 /nfs/dbraw/zinc/35/17/61/909351761.db2.gz LFRYMBMGWMUZKO-LJQANCHMSA-N 2 1 390.572 3.603 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000636910442 909662675 /nfs/dbraw/zinc/66/26/75/909662675.db2.gz RHENXBNZPKIAMN-KRWDZBQOSA-N 2 1 383.540 3.758 20 0 GHADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000637849974 909987490 /nfs/dbraw/zinc/98/74/90/909987490.db2.gz TXKSJEHEKQLFGM-GFOJFJKKSA-N 2 1 397.588 3.550 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000299645451 921542359 /nfs/dbraw/zinc/54/23/59/921542359.db2.gz NKLZTEKAFGINHJ-UHFFFAOYSA-N 2 1 394.563 3.708 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268873749 910054372 /nfs/dbraw/zinc/05/43/72/910054372.db2.gz JQBFSFGKMKQTSR-AUSIDOKSSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268873749 910054394 /nfs/dbraw/zinc/05/43/94/910054394.db2.gz JQBFSFGKMKQTSR-AUSIDOKSSA-N 2 1 395.547 3.640 20 0 GHADMP COC(=O)c1[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C ZINC001180302020 910057672 /nfs/dbraw/zinc/05/76/72/910057672.db2.gz SDRTWQAHRPIAHN-SESVDKBCSA-N 2 1 381.520 3.500 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH2+]CCc3nnc4n3CCCCC4)CC[N@@H+]2C2CC2)cc1 ZINC000638341964 910125709 /nfs/dbraw/zinc/12/57/09/910125709.db2.gz FHJAFXBYPQVTCR-TZIWHRDSSA-N 2 1 379.552 3.505 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH2+]CCc3nnc4n3CCCCC4)CC[N@H+]2C2CC2)cc1 ZINC000638341964 910125723 /nfs/dbraw/zinc/12/57/23/910125723.db2.gz FHJAFXBYPQVTCR-TZIWHRDSSA-N 2 1 379.552 3.505 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000638445581 910154396 /nfs/dbraw/zinc/15/43/96/910154396.db2.gz OQEIZKCYLKKHHN-UHFFFAOYSA-N 2 1 391.515 3.604 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000638445581 910154406 /nfs/dbraw/zinc/15/44/06/910154406.db2.gz OQEIZKCYLKKHHN-UHFFFAOYSA-N 2 1 391.515 3.604 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000638560824 910191825 /nfs/dbraw/zinc/19/18/25/910191825.db2.gz UTDICMJSWUXDNH-ZWKOTPCHSA-N 2 1 385.474 3.518 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000269714738 910340576 /nfs/dbraw/zinc/34/05/76/910340576.db2.gz RPTJCNKXQSKIJR-MOPGFXCFSA-N 2 1 394.519 3.559 20 0 GHADMP CCN(c1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1)C(C)C ZINC000246533675 910359535 /nfs/dbraw/zinc/35/95/35/910359535.db2.gz JYHZRLOHSTWXFX-RXVVDRJESA-N 2 1 383.540 3.639 20 0 GHADMP CCN(c1ccc(NC(=O)CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1)C(C)C ZINC000246533675 910359551 /nfs/dbraw/zinc/35/95/51/910359551.db2.gz JYHZRLOHSTWXFX-RXVVDRJESA-N 2 1 383.540 3.639 20 0 GHADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1c1ccc(Br)cc1 ZINC000639250147 910365050 /nfs/dbraw/zinc/36/50/50/910365050.db2.gz UOEYCIGGNLRVJO-BGVWBIDGSA-N 2 1 392.385 3.799 20 0 GHADMP [NH3+]Cc1ncccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180819597 910388259 /nfs/dbraw/zinc/38/82/59/910388259.db2.gz KJRDXFRZMRVPJQ-UHFFFAOYSA-N 2 1 393.318 3.698 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1)C(C)C ZINC000299685212 921583314 /nfs/dbraw/zinc/58/33/14/921583314.db2.gz TZHJFXSONQHEDK-UHFFFAOYSA-N 2 1 391.519 3.736 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2C)cc1)C(C)C ZINC000299685212 921583327 /nfs/dbraw/zinc/58/33/27/921583327.db2.gz TZHJFXSONQHEDK-UHFFFAOYSA-N 2 1 391.519 3.736 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CCC([NH+](C)Cc2ccc(F)cc2)CC1 ZINC001181866486 911047376 /nfs/dbraw/zinc/04/73/76/911047376.db2.gz YRQOTUOWNPFJLJ-UHFFFAOYSA-N 2 1 377.548 3.761 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001181866486 911047395 /nfs/dbraw/zinc/04/73/95/911047395.db2.gz YRQOTUOWNPFJLJ-UHFFFAOYSA-N 2 1 377.548 3.761 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001181866486 911047416 /nfs/dbraw/zinc/04/74/16/911047416.db2.gz YRQOTUOWNPFJLJ-UHFFFAOYSA-N 2 1 377.548 3.761 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C1 ZINC001181983345 911109720 /nfs/dbraw/zinc/10/97/20/911109720.db2.gz PCKAECUDTMLPNK-KRWDZBQOSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247438675 911281148 /nfs/dbraw/zinc/28/11/48/911281148.db2.gz XNMFTDKPKWMKET-CEXWTWQISA-N 2 1 386.584 3.664 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccccc2)CC1 ZINC001182244226 911326155 /nfs/dbraw/zinc/32/61/55/911326155.db2.gz ILQWYQGLQBCRGH-HSZRJFAPSA-N 2 1 379.548 3.850 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001182244226 911326173 /nfs/dbraw/zinc/32/61/73/911326173.db2.gz ILQWYQGLQBCRGH-HSZRJFAPSA-N 2 1 379.548 3.850 20 0 GHADMP C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242846 911372787 /nfs/dbraw/zinc/37/27/87/911372787.db2.gz CXEAWHUJFYSXGR-WOJBJXKFSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242846 911372810 /nfs/dbraw/zinc/37/28/10/911372810.db2.gz CXEAWHUJFYSXGR-WOJBJXKFSA-N 2 1 377.960 3.858 20 0 GHADMP Cc1ccc([C@H](CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)[NH+](C)C)cc1 ZINC001182482568 911833518 /nfs/dbraw/zinc/83/35/18/911833518.db2.gz RCOGRVYXUYTQIB-PKTZIBPZSA-N 2 1 379.548 3.837 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C1 ZINC001182939778 912172328 /nfs/dbraw/zinc/17/23/28/912172328.db2.gz VMPSMDAWUCZUAB-XUZZJYLKSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C1 ZINC001182939778 912172340 /nfs/dbraw/zinc/17/23/40/912172340.db2.gz VMPSMDAWUCZUAB-XUZZJYLKSA-N 2 1 393.575 3.924 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NCCCCC[NH+](C)C ZINC001187036522 915009299 /nfs/dbraw/zinc/00/92/99/915009299.db2.gz MHZJRYHMDWYEAT-MJGOQNOKSA-N 2 1 381.511 3.695 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NCCCCC[NH+](C)C ZINC001187036522 915009318 /nfs/dbraw/zinc/00/93/18/915009318.db2.gz MHZJRYHMDWYEAT-MJGOQNOKSA-N 2 1 381.511 3.695 20 0 GHADMP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000291477328 915204599 /nfs/dbraw/zinc/20/45/99/915204599.db2.gz KCLOIMMGFMAQDO-UHFFFAOYSA-N 2 1 398.378 3.806 20 0 GHADMP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OCC(F)(F)F ZINC000647479619 915292468 /nfs/dbraw/zinc/29/24/68/915292468.db2.gz NITNZOGIUSGIIW-SJORKVTESA-N 2 1 386.458 3.990 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1OCC(F)(F)F ZINC000647479619 915292568 /nfs/dbraw/zinc/29/25/68/915292568.db2.gz NITNZOGIUSGIIW-SJORKVTESA-N 2 1 386.458 3.990 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(-c3cccs3)s2)C1=O ZINC001275619858 915358370 /nfs/dbraw/zinc/35/83/70/915358370.db2.gz JYFMCCFQTMYWDM-FQEVSTJZSA-N 2 1 389.590 3.605 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975476 915457500 /nfs/dbraw/zinc/45/75/00/915457500.db2.gz ATMYUVUOHWZEKP-OWCLPIDISA-N 2 1 383.458 3.744 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)c1OC ZINC000647977916 915459680 /nfs/dbraw/zinc/45/96/80/915459680.db2.gz JSYOHYMEDRXVQR-CABCVRRESA-N 2 1 397.357 3.678 20 0 GHADMP CCCCCOc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1OC ZINC000648071807 915507598 /nfs/dbraw/zinc/50/75/98/915507598.db2.gz VCXQRZLUYBITGR-UHFFFAOYSA-N 2 1 376.541 3.561 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1OC ZINC000648071807 915507607 /nfs/dbraw/zinc/50/76/07/915507607.db2.gz VCXQRZLUYBITGR-UHFFFAOYSA-N 2 1 376.541 3.561 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000648741898 915851490 /nfs/dbraw/zinc/85/14/90/915851490.db2.gz YFERKLZRLFOPIA-UYAOXDASSA-N 2 1 398.551 3.749 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000648824829 915895242 /nfs/dbraw/zinc/89/52/42/915895242.db2.gz IOSQYACLGATJQE-QPXQOZNCSA-N 2 1 382.552 3.669 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000648824829 915895251 /nfs/dbraw/zinc/89/52/51/915895251.db2.gz IOSQYACLGATJQE-QPXQOZNCSA-N 2 1 382.552 3.669 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648830829 915898460 /nfs/dbraw/zinc/89/84/60/915898460.db2.gz CDVYSFSSOBSTBS-BAGYTPMASA-N 2 1 394.563 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648830829 915898472 /nfs/dbraw/zinc/89/84/72/915898472.db2.gz CDVYSFSSOBSTBS-BAGYTPMASA-N 2 1 394.563 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000648909253 915934698 /nfs/dbraw/zinc/93/46/98/915934698.db2.gz KGYIQEAZZHUPQO-TZIWHRDSSA-N 2 1 382.552 3.815 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000648909253 915934704 /nfs/dbraw/zinc/93/47/04/915934704.db2.gz KGYIQEAZZHUPQO-TZIWHRDSSA-N 2 1 382.552 3.815 20 0 GHADMP O=C(NCc1c[nH+]c2n1CCCC2)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650414893 916962538 /nfs/dbraw/zinc/96/25/38/916962538.db2.gz FRRYPILCDJFGAB-UHFFFAOYSA-N 2 1 399.564 3.729 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000295260294 917234079 /nfs/dbraw/zinc/23/40/79/917234079.db2.gz GWTMSQXBTNINTN-NLEAXPPASA-N 2 1 378.532 3.824 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000295260294 917234088 /nfs/dbraw/zinc/23/40/88/917234088.db2.gz GWTMSQXBTNINTN-NLEAXPPASA-N 2 1 378.532 3.824 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000295260294 917234101 /nfs/dbraw/zinc/23/41/01/917234101.db2.gz GWTMSQXBTNINTN-NLEAXPPASA-N 2 1 378.532 3.824 20 0 GHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(-c2cc3ccccc3o2)n1 ZINC000650705991 917243640 /nfs/dbraw/zinc/24/36/40/917243640.db2.gz BNMDAYFNEJMWNM-CUWPLCDZSA-N 2 1 394.519 3.552 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775387639 917346809 /nfs/dbraw/zinc/34/68/09/917346809.db2.gz ZWFRUKXYBSSUDA-CRAIPNDOSA-N 2 1 397.535 3.556 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000796445339 917379297 /nfs/dbraw/zinc/37/92/97/917379297.db2.gz TVZJHLHNKDTNSO-ZJSXRUAMSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445339 917379304 /nfs/dbraw/zinc/37/93/04/917379304.db2.gz TVZJHLHNKDTNSO-ZJSXRUAMSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445339 917379311 /nfs/dbraw/zinc/37/93/11/917379311.db2.gz TVZJHLHNKDTNSO-ZJSXRUAMSA-N 2 1 399.579 3.841 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCC3CCCCC3)CC2)cc1 ZINC001190707862 917498172 /nfs/dbraw/zinc/49/81/72/917498172.db2.gz PGCXOADOVORHAN-UHFFFAOYSA-N 2 1 385.596 3.932 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCC3CCCCC3)CC2)cc1 ZINC001190707862 917498175 /nfs/dbraw/zinc/49/81/75/917498175.db2.gz PGCXOADOVORHAN-UHFFFAOYSA-N 2 1 385.596 3.932 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCC3CCCCC3)CC2)cc1 ZINC001190707862 917498187 /nfs/dbraw/zinc/49/81/87/917498187.db2.gz PGCXOADOVORHAN-UHFFFAOYSA-N 2 1 385.596 3.932 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001190828576 917585449 /nfs/dbraw/zinc/58/54/49/917585449.db2.gz XAKZUWUBLFNKAB-VQTJNVASSA-N 2 1 394.987 3.976 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC001190828576 917585464 /nfs/dbraw/zinc/58/54/64/917585464.db2.gz XAKZUWUBLFNKAB-VQTJNVASSA-N 2 1 394.987 3.976 20 0 GHADMP c1c2cnccc2oc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000651817552 917715059 /nfs/dbraw/zinc/71/50/59/917715059.db2.gz QVIMXAYZGLJGDK-OAQYLSRUSA-N 2 1 391.515 3.846 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(CCc3ccccc3)n2)C1 ZINC000652363647 917884185 /nfs/dbraw/zinc/88/41/85/917884185.db2.gz KMRWBMSHRNLADW-GIVPXCGWSA-N 2 1 385.577 3.789 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(CCc3ccccc3)n2)C1 ZINC000652363647 917884192 /nfs/dbraw/zinc/88/41/92/917884192.db2.gz KMRWBMSHRNLADW-GIVPXCGWSA-N 2 1 385.577 3.789 20 0 GHADMP CC[N@@H+](CCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CCCCC1 ZINC000652611238 917952064 /nfs/dbraw/zinc/95/20/64/917952064.db2.gz BHULKNMKXCVBPQ-UHFFFAOYSA-N 2 1 376.520 3.638 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C3CCC(C)(C)CC3)CC2)cc1 ZINC001191552843 918067935 /nfs/dbraw/zinc/06/79/35/918067935.db2.gz XNNDBAWWQPXJEN-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C3CCC(C)(C)CC3)CC2)cc1 ZINC001191552843 918067946 /nfs/dbraw/zinc/06/79/46/918067946.db2.gz XNNDBAWWQPXJEN-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C3CCC(C)(C)CC3)CC2)cc1 ZINC001191552843 918067960 /nfs/dbraw/zinc/06/79/60/918067960.db2.gz XNNDBAWWQPXJEN-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653153698 918144049 /nfs/dbraw/zinc/14/40/49/918144049.db2.gz XGZKVRBFVRTXRU-QHMHNIQBSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653153698 918144057 /nfs/dbraw/zinc/14/40/57/918144057.db2.gz XGZKVRBFVRTXRU-QHMHNIQBSA-N 2 1 381.923 3.637 20 0 GHADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn2cc[nH+]c12 ZINC000653376088 918230914 /nfs/dbraw/zinc/23/09/14/918230914.db2.gz CHTUDJORSZFUDV-MRXNPFEDSA-N 2 1 383.521 3.738 20 0 GHADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn2cc[nH+]c12 ZINC000653376088 918230917 /nfs/dbraw/zinc/23/09/17/918230917.db2.gz CHTUDJORSZFUDV-MRXNPFEDSA-N 2 1 383.521 3.738 20 0 GHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001191892113 918283261 /nfs/dbraw/zinc/28/32/61/918283261.db2.gz UBYQDRRGPUSOIL-UHFFFAOYSA-N 2 1 387.955 3.645 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363548161 918397774 /nfs/dbraw/zinc/39/77/74/918397774.db2.gz WTQWAZMZGRLUBO-KBMXLJTQSA-N 2 1 385.430 3.519 20 0 GHADMP Cc1ccnc([C@@H]2CC[NH+](C/C=C\C[N@@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749747 918466946 /nfs/dbraw/zinc/46/69/46/918466946.db2.gz YBDBHZIMCPLHPU-UWDZZFAPSA-N 2 1 376.548 3.928 20 0 GHADMP Cc1nccn1CCCC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000367215372 921979072 /nfs/dbraw/zinc/97/90/72/921979072.db2.gz FPNLJTDQWLOMJU-UHFFFAOYSA-N 2 1 376.545 3.836 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000367215372 921979078 /nfs/dbraw/zinc/97/90/78/921979078.db2.gz FPNLJTDQWLOMJU-UHFFFAOYSA-N 2 1 376.545 3.836 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000367215372 921979092 /nfs/dbraw/zinc/97/90/92/921979092.db2.gz FPNLJTDQWLOMJU-UHFFFAOYSA-N 2 1 376.545 3.836 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000367538352 922180219 /nfs/dbraw/zinc/18/02/19/922180219.db2.gz OBZVLPLKCRDGCH-MTPWMDRRSA-N 2 1 382.573 3.565 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2ccccc21 ZINC000367570782 922207849 /nfs/dbraw/zinc/20/78/49/922207849.db2.gz RZXXZSYUEROSEM-HSZRJFAPSA-N 2 1 395.522 3.920 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(CN2Cc3cc(C(F)(F)F)ccc3C2=O)CC1 ZINC000802731485 922364952 /nfs/dbraw/zinc/36/49/52/922364952.db2.gz QKRPLKVQNGJIPI-UHFFFAOYSA-N 2 1 383.458 3.671 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CN2Cc3cc(C(F)(F)F)ccc3C2=O)CC1 ZINC000802731485 922364964 /nfs/dbraw/zinc/36/49/64/922364964.db2.gz QKRPLKVQNGJIPI-UHFFFAOYSA-N 2 1 383.458 3.671 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2Cc3cc(C(F)(F)F)ccc3C2=O)CC1 ZINC000802731485 922364979 /nfs/dbraw/zinc/36/49/79/922364979.db2.gz QKRPLKVQNGJIPI-UHFFFAOYSA-N 2 1 383.458 3.671 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C(F)(F)F)cn3)CC2)nc(C)[nH+]1 ZINC000902831511 922539572 /nfs/dbraw/zinc/53/95/72/922539572.db2.gz ACYIXSLAIXIXCD-ZDUSSCGKSA-N 2 1 379.430 3.827 20 0 GHADMP c1ccc2c(c1)CCN(c1ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cn1)C2 ZINC000903074107 922748714 /nfs/dbraw/zinc/74/87/14/922748714.db2.gz RSMNDHMKLLKIAP-DIMPSALBSA-N 2 1 388.559 3.892 20 0 GHADMP c1ccc2c(c1)CCN(c1ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cn1)C2 ZINC000903074107 922748729 /nfs/dbraw/zinc/74/87/29/922748729.db2.gz RSMNDHMKLLKIAP-DIMPSALBSA-N 2 1 388.559 3.892 20 0 GHADMP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000903126265 922794476 /nfs/dbraw/zinc/79/44/76/922794476.db2.gz RKOJDPZRLQQALR-XIHRNRATSA-N 2 1 382.470 3.604 20 0 GHADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(OC(F)(F)F)c1 ZINC000903191758 922843481 /nfs/dbraw/zinc/84/34/81/922843481.db2.gz FLDQXBGUJAMMRV-SOXMVSPVSA-N 2 1 384.442 3.756 20 0 GHADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(OC(F)(F)F)c1 ZINC000903191758 922843495 /nfs/dbraw/zinc/84/34/95/922843495.db2.gz FLDQXBGUJAMMRV-SOXMVSPVSA-N 2 1 384.442 3.756 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OCc1ccccc1 ZINC000903956090 923435088 /nfs/dbraw/zinc/43/50/88/923435088.db2.gz GSKOUBRLJMPLNE-GOSISDBHSA-N 2 1 376.447 3.609 20 0 GHADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000369933218 923750947 /nfs/dbraw/zinc/75/09/47/923750947.db2.gz BTKLCMJUSNJICT-IEBWSBKVSA-N 2 1 397.485 3.546 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(Cl)c1F ZINC000370560425 924171033 /nfs/dbraw/zinc/17/10/33/924171033.db2.gz YPUOZRSWJOEPKE-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370709937 924269745 /nfs/dbraw/zinc/26/97/45/924269745.db2.gz LABPMOKQPGUGNA-HYBUGGRVSA-N 2 1 393.575 3.820 20 0 GHADMP COc1cc(OC)c(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c(OC)c1 ZINC000678073927 924600132 /nfs/dbraw/zinc/60/01/32/924600132.db2.gz NTOCWICQZFEILE-UHFFFAOYSA-N 2 1 387.524 3.877 20 0 GHADMP c1csc(C[NH+]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)c1 ZINC000678123965 924619170 /nfs/dbraw/zinc/61/91/70/924619170.db2.gz BRQMRZMHQUMOFA-UHFFFAOYSA-N 2 1 385.577 3.541 20 0 GHADMP OCC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000678263651 924695179 /nfs/dbraw/zinc/69/51/79/924695179.db2.gz BMRKLPUWCQJHMN-DEOSSOPVSA-N 2 1 380.532 3.643 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678285995 924707617 /nfs/dbraw/zinc/70/76/17/924707617.db2.gz SMAUPDNLRMJABG-OFVILXPXSA-N 2 1 392.591 3.912 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335523 925099065 /nfs/dbraw/zinc/09/90/65/925099065.db2.gz BCQUEKWOCUHNKB-WIOPSUGQSA-N 2 1 391.559 3.982 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335520 925099293 /nfs/dbraw/zinc/09/92/93/925099293.db2.gz BCQUEKWOCUHNKB-DHLKQENFSA-N 2 1 391.559 3.982 20 0 GHADMP COc1c(C)cnc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC000680477363 925489322 /nfs/dbraw/zinc/48/93/22/925489322.db2.gz DCQMXRDNAWIICY-UHFFFAOYSA-N 2 1 383.536 3.814 20 0 GHADMP COc1c(C)c[nH+]c(CN(C)Cc2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC000680477363 925489337 /nfs/dbraw/zinc/48/93/37/925489337.db2.gz DCQMXRDNAWIICY-UHFFFAOYSA-N 2 1 383.536 3.814 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410351819 925563406 /nfs/dbraw/zinc/56/34/06/925563406.db2.gz IAUHNGDSDWUZGM-FQEVSTJZSA-N 2 1 388.600 3.648 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000410351118 925564225 /nfs/dbraw/zinc/56/42/25/925564225.db2.gz DMDJTBKOOKSTKH-NFBKMPQASA-N 2 1 398.595 3.688 20 0 GHADMP CC(CC[NH+]1CC[C@H](N2CCCCC2)C1)CC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000411279410 926269316 /nfs/dbraw/zinc/26/93/16/926269316.db2.gz PQRSPGBBSFUAOB-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CC[C@H]([NH+]2CCCCC2)C1)CC[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000411279410 926269324 /nfs/dbraw/zinc/26/93/24/926269324.db2.gz PQRSPGBBSFUAOB-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CC[C@H]([NH+]2CCCCC2)C1)CC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000411279410 926269327 /nfs/dbraw/zinc/26/93/27/926269327.db2.gz PQRSPGBBSFUAOB-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP CC[NH+]1CCC([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411303128 926287748 /nfs/dbraw/zinc/28/77/48/926287748.db2.gz GKXSFYAOOAAKBM-UHFFFAOYSA-N 2 1 379.548 3.698 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411303128 926287757 /nfs/dbraw/zinc/28/77/57/926287757.db2.gz GKXSFYAOOAAKBM-UHFFFAOYSA-N 2 1 379.548 3.698 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000411380181 926346925 /nfs/dbraw/zinc/34/69/25/926346925.db2.gz CMBMYWZZYUZJON-NFBKMPQASA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000411380181 926346935 /nfs/dbraw/zinc/34/69/35/926346935.db2.gz CMBMYWZZYUZJON-NFBKMPQASA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000411380181 926346943 /nfs/dbraw/zinc/34/69/43/926346943.db2.gz CMBMYWZZYUZJON-NFBKMPQASA-N 2 1 393.575 3.944 20 0 GHADMP O=C(OCc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[nH]1 ZINC000827948614 926372546 /nfs/dbraw/zinc/37/25/46/926372546.db2.gz IESRPCVUJICDNT-FQEVSTJZSA-N 2 1 381.520 3.583 20 0 GHADMP O=C(OCc1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH]1 ZINC000827948614 926372556 /nfs/dbraw/zinc/37/25/56/926372556.db2.gz IESRPCVUJICDNT-FQEVSTJZSA-N 2 1 381.520 3.583 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000389150024 926385075 /nfs/dbraw/zinc/38/50/75/926385075.db2.gz XFMKTHQQCFHSJO-FQEVSTJZSA-N 2 1 378.438 3.993 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390560554 926395073 /nfs/dbraw/zinc/39/50/73/926395073.db2.gz MMZNYSVUJXLVMG-IBGZPJMESA-N 2 1 375.557 3.792 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390560554 926395077 /nfs/dbraw/zinc/39/50/77/926395077.db2.gz MMZNYSVUJXLVMG-IBGZPJMESA-N 2 1 375.557 3.792 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000398222361 926487080 /nfs/dbraw/zinc/48/70/80/926487080.db2.gz WNNMTJVJBSEQEK-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(-c2ccccc2)nc2sccn12 ZINC000749543446 927181059 /nfs/dbraw/zinc/18/10/59/927181059.db2.gz BRIFOARLAOYXJA-QWFCFKBJSA-N 2 1 396.560 3.746 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c(-c2ccccc2)nc2sccn12 ZINC000749543446 927181066 /nfs/dbraw/zinc/18/10/66/927181066.db2.gz BRIFOARLAOYXJA-QWFCFKBJSA-N 2 1 396.560 3.746 20 0 GHADMP Cc1cc(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc(N2CCCC2)[nH+]1 ZINC000412367956 927383663 /nfs/dbraw/zinc/38/36/63/927383663.db2.gz WANTZXANBBNSGR-UHFFFAOYSA-N 2 1 392.547 3.906 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC1CCCCCCC1 ZINC000751070505 928012582 /nfs/dbraw/zinc/01/25/82/928012582.db2.gz VBJVAOFPNOTVQK-UHFFFAOYSA-N 2 1 392.632 3.937 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000751093747 928025308 /nfs/dbraw/zinc/02/53/08/928025308.db2.gz UDLZMOFNPJOLBB-VNXZQDSDSA-N 2 1 398.595 3.747 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000543870354 928515890 /nfs/dbraw/zinc/51/58/90/928515890.db2.gz ZXIKLUSSGJMNFV-MRXNPFEDSA-N 2 1 380.602 3.921 20 0 GHADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543942304 928592065 /nfs/dbraw/zinc/59/20/65/928592065.db2.gz DLZFNZYILFMVLA-LAUBAEHRSA-N 2 1 397.592 3.524 20 0 GHADMP CN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000544076957 928772758 /nfs/dbraw/zinc/77/27/58/928772758.db2.gz ILDVQBXMKBNSKI-HSZRJFAPSA-N 2 1 377.532 3.627 20 0 GHADMP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000544076957 928772765 /nfs/dbraw/zinc/77/27/65/928772765.db2.gz ILDVQBXMKBNSKI-HSZRJFAPSA-N 2 1 377.532 3.627 20 0 GHADMP CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000544076957 928772775 /nfs/dbraw/zinc/77/27/75/928772775.db2.gz ILDVQBXMKBNSKI-HSZRJFAPSA-N 2 1 377.532 3.627 20 0 GHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000467378034 929017050 /nfs/dbraw/zinc/01/70/50/929017050.db2.gz SKFSQVDXNOAGAA-LAUBAEHRSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000467378034 929017055 /nfs/dbraw/zinc/01/70/55/929017055.db2.gz SKFSQVDXNOAGAA-LAUBAEHRSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000544435727 929179453 /nfs/dbraw/zinc/17/94/53/929179453.db2.gz ZDOVVAOOHCVGJR-UGTOYMOASA-N 2 1 379.548 3.547 20 0 GHADMP CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCC[NH2+]1 ZINC000467691481 929306674 /nfs/dbraw/zinc/30/66/74/929306674.db2.gz BYMQYFDXNPRKRD-IBGZPJMESA-N 2 1 384.351 3.606 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc(C(F)(F)F)cs1 ZINC000467736939 929353905 /nfs/dbraw/zinc/35/39/05/929353905.db2.gz GEIVIEMAHJWDDY-CYBMUJFWSA-N 2 1 399.482 3.969 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753765916 929524502 /nfs/dbraw/zinc/52/45/02/929524502.db2.gz DKTWSLXWXISJPT-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000469305696 929777993 /nfs/dbraw/zinc/77/79/93/929777993.db2.gz TWJIELPIPXJVJS-CEXWTWQISA-N 2 1 389.584 3.679 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000469371998 929829694 /nfs/dbraw/zinc/82/96/94/929829694.db2.gz UXUJYAFETOXJFQ-XMMPIXPASA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000469371998 929829699 /nfs/dbraw/zinc/82/96/99/929829699.db2.gz UXUJYAFETOXJFQ-XMMPIXPASA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000469371998 929829711 /nfs/dbraw/zinc/82/97/11/929829711.db2.gz UXUJYAFETOXJFQ-XMMPIXPASA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000469371998 929829713 /nfs/dbraw/zinc/82/97/13/929829713.db2.gz UXUJYAFETOXJFQ-XMMPIXPASA-N 2 1 391.559 3.632 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469511263 929955180 /nfs/dbraw/zinc/95/51/80/929955180.db2.gz YVVKCIKPEQKHOL-QHCPKHFHSA-N 2 1 386.499 3.642 20 0 GHADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](CC)CC ZINC000469534951 929971871 /nfs/dbraw/zinc/97/18/71/929971871.db2.gz GNAFGBBYOAWEMX-MSOLQXFVSA-N 2 1 385.474 3.516 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@@H](CN3CC[NH+](C)CC3)c3ccccc3)cc2c1C ZINC000546728644 930385678 /nfs/dbraw/zinc/38/56/78/930385678.db2.gz WHCCGKBAPBCNKJ-DEOSSOPVSA-N 2 1 376.548 3.863 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780431900 930517575 /nfs/dbraw/zinc/51/75/75/930517575.db2.gz RFHANBQUGMHMPC-DEOSSOPVSA-N 2 1 379.548 3.718 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000780431900 930517578 /nfs/dbraw/zinc/51/75/78/930517578.db2.gz RFHANBQUGMHMPC-DEOSSOPVSA-N 2 1 379.548 3.718 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000781424754 930840135 /nfs/dbraw/zinc/84/01/35/930840135.db2.gz YOXUEYPDJAPBEI-YMPZKCBVSA-N 2 1 399.579 3.886 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000781425422 930841288 /nfs/dbraw/zinc/84/12/88/930841288.db2.gz ILZZGIYBCLQGRH-LNGMVNIQSA-N 2 1 385.596 3.519 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739455 930874076 /nfs/dbraw/zinc/87/40/76/930874076.db2.gz BBYXDSAVXTXUIK-AZUAARDMSA-N 2 1 392.613 3.504 20 0 GHADMP [NH3+]C[C@@H](NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCCC1 ZINC000557213609 931275527 /nfs/dbraw/zinc/27/55/27/931275527.db2.gz FXEAOJUERZGQPL-JOCHJYFZSA-N 2 1 398.595 3.592 20 0 GHADMP CN1CC[NH+](CCCC[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924657538 931465448 /nfs/dbraw/zinc/46/54/48/931465448.db2.gz HCOYMHYDMKNODS-QHCPKHFHSA-N 2 1 378.520 3.534 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000925135128 931672156 /nfs/dbraw/zinc/67/21/56/931672156.db2.gz UHWWEDGKCMJHJJ-NQYYFHDYSA-N 2 1 376.545 3.738 20 0 GHADMP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925205426 931699523 /nfs/dbraw/zinc/69/95/23/931699523.db2.gz IQPIUXGBBRVOPA-KSFYIVLOSA-N 2 1 375.532 3.778 20 0 GHADMP [NH3+]CCC[C@@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 ZINC000925589815 931832693 /nfs/dbraw/zinc/83/26/93/931832693.db2.gz KXJHWRSSYZJVJT-OAHLLOKOSA-N 2 1 397.832 3.971 20 0 GHADMP C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925888516 931939179 /nfs/dbraw/zinc/93/91/79/931939179.db2.gz VAEIPQMLVQVEOJ-NRCDOKTLSA-N 2 1 395.591 3.809 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000777582783 932009272 /nfs/dbraw/zinc/00/92/72/932009272.db2.gz HXOJWYRTAVPABM-FQEVSTJZSA-N 2 1 394.563 3.879 20 0 GHADMP OC[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H]1c1ccccc1 ZINC000558504828 932041227 /nfs/dbraw/zinc/04/12/27/932041227.db2.gz MWYNWOBLLGKVIJ-ZEQRLZLVSA-N 2 1 382.523 3.588 20 0 GHADMP C[C@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926112601 932052824 /nfs/dbraw/zinc/05/28/24/932052824.db2.gz ZRHZTKQSJSVXSG-RCKXYERXSA-N 2 1 387.568 3.790 20 0 GHADMP C[C@]1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798344146 932606656 /nfs/dbraw/zinc/60/66/56/932606656.db2.gz BFDGEVJGUBVPGG-HSZRJFAPSA-N 2 1 386.584 3.507 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798498733 932673727 /nfs/dbraw/zinc/67/37/27/932673727.db2.gz YSFISDMEAKPVJL-HSZRJFAPSA-N 2 1 387.568 3.745 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798955439 932837692 /nfs/dbraw/zinc/83/76/92/932837692.db2.gz PXFCGSMHGWLFMR-YADARESESA-N 2 1 396.531 3.629 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559784493 932853494 /nfs/dbraw/zinc/85/34/94/932853494.db2.gz IKWLOSZHQATNPI-WMZHIEFXSA-N 2 1 384.520 3.898 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000559784493 932853500 /nfs/dbraw/zinc/85/35/00/932853500.db2.gz IKWLOSZHQATNPI-WMZHIEFXSA-N 2 1 384.520 3.898 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)CC1 ZINC000799030660 932856855 /nfs/dbraw/zinc/85/68/55/932856855.db2.gz NPCFCIRVTQSSEA-FQEVSTJZSA-N 2 1 398.595 3.828 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000799029596 932856995 /nfs/dbraw/zinc/85/69/95/932856995.db2.gz ISAHCUXQBHEKPF-OAQYLSRUSA-N 2 1 387.543 3.515 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000799029596 932857000 /nfs/dbraw/zinc/85/70/00/932857000.db2.gz ISAHCUXQBHEKPF-OAQYLSRUSA-N 2 1 387.543 3.515 20 0 GHADMP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000559876728 932917530 /nfs/dbraw/zinc/91/75/30/932917530.db2.gz BTCRRGUEEUZISE-UZLBHIALSA-N 2 1 375.532 3.730 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cc(C(F)(F)F)n[nH]3)cc2)CC1 ZINC000799338891 932956653 /nfs/dbraw/zinc/95/66/53/932956653.db2.gz BYJFMPNBIIHNQB-UHFFFAOYSA-N 2 1 381.446 3.819 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000560183225 933117944 /nfs/dbraw/zinc/11/79/44/933117944.db2.gz RKBHUTLLNCVISO-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(C[NH+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000560183225 933117945 /nfs/dbraw/zinc/11/79/45/933117945.db2.gz RKBHUTLLNCVISO-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(C[NH+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000560183225 933117946 /nfs/dbraw/zinc/11/79/46/933117946.db2.gz RKBHUTLLNCVISO-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC001116563077 933636283 /nfs/dbraw/zinc/63/62/83/933636283.db2.gz VVINSWDORAFZSM-IBGZPJMESA-N 2 1 386.584 3.826 20 0 GHADMP C[C@H]1C[C@H](NCC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000560892778 933658959 /nfs/dbraw/zinc/65/89/59/933658959.db2.gz OHAXOCRYNXOBJW-GOEBONIOSA-N 2 1 391.437 3.685 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000561160275 933926024 /nfs/dbraw/zinc/92/60/24/933926024.db2.gz CCOZDTRAGDIRJY-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000561160275 933926030 /nfs/dbraw/zinc/92/60/30/933926030.db2.gz CCOZDTRAGDIRJY-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000561160275 933926044 /nfs/dbraw/zinc/92/60/44/933926044.db2.gz CCOZDTRAGDIRJY-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095527 934374805 /nfs/dbraw/zinc/37/48/05/934374805.db2.gz WIFPRFQSHZDHGC-GEALJGNFSA-N 2 1 379.495 3.666 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095527 934374810 /nfs/dbraw/zinc/37/48/10/934374810.db2.gz WIFPRFQSHZDHGC-GEALJGNFSA-N 2 1 379.495 3.666 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095527 934374816 /nfs/dbraw/zinc/37/48/16/934374816.db2.gz WIFPRFQSHZDHGC-GEALJGNFSA-N 2 1 379.495 3.666 20 0 GHADMP Brc1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC001222634809 1030251055 /nfs/dbraw/zinc/25/10/55/1030251055.db2.gz HQQMAQGJVFNLBI-AOOOYVTPSA-N 2 1 394.176 3.705 20 0 GHADMP Brc1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC001222634809 1030251069 /nfs/dbraw/zinc/25/10/69/1030251069.db2.gz HQQMAQGJVFNLBI-AOOOYVTPSA-N 2 1 394.176 3.705 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000468026563 1015163450 /nfs/dbraw/zinc/16/34/50/1015163450.db2.gz VHTHLQKXOIDZIW-ZHHKINOHSA-N 2 1 386.584 3.678 20 0 GHADMP COCC[N@H+]1CC[C@@H](Nc2ccc(C[NH+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926549 1015225525 /nfs/dbraw/zinc/22/55/25/1015225525.db2.gz CASHICCFCYNUQO-PKTZIBPZSA-N 2 1 389.584 3.599 20 0 GHADMP COCC[NH+]1CC[C@@H](Nc2ccc(C[N@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926549 1015225531 /nfs/dbraw/zinc/22/55/31/1015225531.db2.gz CASHICCFCYNUQO-PKTZIBPZSA-N 2 1 389.584 3.599 20 0 GHADMP COCC[NH+]1CC[C@@H](Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)C1 ZINC000544926549 1015225541 /nfs/dbraw/zinc/22/55/41/1015225541.db2.gz CASHICCFCYNUQO-PKTZIBPZSA-N 2 1 389.584 3.599 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000468122942 1015299531 /nfs/dbraw/zinc/29/95/31/1015299531.db2.gz YQLUGIRGVNOQRB-JPYJTQIMSA-N 2 1 386.499 3.812 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC001154465840 1032122155 /nfs/dbraw/zinc/12/21/55/1032122155.db2.gz NKKPQWABCCJGDP-MSYCTHLASA-N 2 1 379.548 3.549 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC001154465840 1032122161 /nfs/dbraw/zinc/12/21/61/1032122161.db2.gz NKKPQWABCCJGDP-MSYCTHLASA-N 2 1 379.548 3.549 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468612977 1015844177 /nfs/dbraw/zinc/84/41/77/1015844177.db2.gz QJHAMNCAWOLOAD-NRFANRHFSA-N 2 1 396.579 3.986 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000468612977 1015844186 /nfs/dbraw/zinc/84/41/86/1015844186.db2.gz QJHAMNCAWOLOAD-NRFANRHFSA-N 2 1 396.579 3.986 20 0 GHADMP C[N@@H+](CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000546722022 1016725337 /nfs/dbraw/zinc/72/53/37/1016725337.db2.gz HCBAROCIRIKQRO-BRTIRZTQSA-N 2 1 383.580 3.953 20 0 GHADMP C[NH+](CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000546722022 1016725350 /nfs/dbraw/zinc/72/53/50/1016725350.db2.gz HCBAROCIRIKQRO-BRTIRZTQSA-N 2 1 383.580 3.953 20 0 GHADMP C[NH+](CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000546722022 1016725365 /nfs/dbraw/zinc/72/53/65/1016725365.db2.gz HCBAROCIRIKQRO-BRTIRZTQSA-N 2 1 383.580 3.953 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000470601658 1016828708 /nfs/dbraw/zinc/82/87/08/1016828708.db2.gz QIKWNAUWUNSVHQ-MOPGFXCFSA-N 2 1 393.453 3.727 20 0 GHADMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001220919101 1032189193 /nfs/dbraw/zinc/18/91/93/1032189193.db2.gz SWFQRRWEOUNQIT-SJLPKXTDSA-N 2 1 383.458 3.619 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCc1ccccc1 ZINC001221011275 1032235352 /nfs/dbraw/zinc/23/53/52/1032235352.db2.gz ZBQHMDDEOMXBHO-GOTSBHOMSA-N 2 1 393.575 3.754 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(CC2CCC2)CC[NH2+]CC1 ZINC001221013538 1032236291 /nfs/dbraw/zinc/23/62/91/1032236291.db2.gz QYVGKIXBBOAYKH-QFIPXVFZSA-N 2 1 397.607 3.963 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC001221074531 1032268730 /nfs/dbraw/zinc/26/87/30/1032268730.db2.gz PSMGYMAKEACZMP-LPHOPBHVSA-N 2 1 394.991 3.895 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001221100132 1032285585 /nfs/dbraw/zinc/28/55/85/1032285585.db2.gz FSKNDDDZSDUBCP-FQEVSTJZSA-N 2 1 394.991 3.850 20 0 GHADMP Cc1cccc([C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)(C)C)c1 ZINC001221280342 1032358727 /nfs/dbraw/zinc/35/87/27/1032358727.db2.gz SCHSGIVYSVZXCX-ICSRJNTNSA-N 2 1 376.589 3.653 20 0 GHADMP Cc1cccc([C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)(C)C)c1 ZINC001221280342 1032358736 /nfs/dbraw/zinc/35/87/36/1032358736.db2.gz SCHSGIVYSVZXCX-ICSRJNTNSA-N 2 1 376.589 3.653 20 0 GHADMP C[C@@H]1C[C@@H](CNc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)C[NH2+]1 ZINC001155101930 1032415777 /nfs/dbraw/zinc/41/57/77/1032415777.db2.gz JZTVKOXPXGLVGL-HUUCEWRRSA-N 2 1 381.549 3.830 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[NH+](C)C)cc1 ZINC001221537649 1032453945 /nfs/dbraw/zinc/45/39/45/1032453945.db2.gz PAVJRLHUAGZRLV-VJBMBRPKSA-N 2 1 394.563 3.560 20 0 GHADMP CC(C)c1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncn1 ZINC001155358607 1032517401 /nfs/dbraw/zinc/51/74/01/1032517401.db2.gz UAJWFEYKDBMBPQ-FQEVSTJZSA-N 2 1 379.552 3.514 20 0 GHADMP c1nc2c(ccnc2NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)s1 ZINC001155363215 1032520096 /nfs/dbraw/zinc/52/00/96/1032520096.db2.gz JIQVXEJMBBSXSL-GOSISDBHSA-N 2 1 393.560 3.605 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204269206 1032711295 /nfs/dbraw/zinc/71/12/95/1032711295.db2.gz WQXVBZVKZNUXPF-PSWAGMNNSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204269206 1032711310 /nfs/dbraw/zinc/71/13/10/1032711310.db2.gz WQXVBZVKZNUXPF-PSWAGMNNSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204269206 1032711323 /nfs/dbraw/zinc/71/13/23/1032711323.db2.gz WQXVBZVKZNUXPF-PSWAGMNNSA-N 2 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204269206 1032711339 /nfs/dbraw/zinc/71/13/39/1032711339.db2.gz WQXVBZVKZNUXPF-PSWAGMNNSA-N 2 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204269206 1032711352 /nfs/dbraw/zinc/71/13/52/1032711352.db2.gz WQXVBZVKZNUXPF-PSWAGMNNSA-N 3 1 393.575 3.581 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436061 1017979260 /nfs/dbraw/zinc/97/92/60/1017979260.db2.gz QFPRFLBBEYLZQK-FPMFFAJLSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436061 1017979261 /nfs/dbraw/zinc/97/92/61/1017979261.db2.gz QFPRFLBBEYLZQK-FPMFFAJLSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436061 1017979263 /nfs/dbraw/zinc/97/92/63/1017979263.db2.gz QFPRFLBBEYLZQK-FPMFFAJLSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436061 1017979266 /nfs/dbraw/zinc/97/92/66/1017979266.db2.gz QFPRFLBBEYLZQK-FPMFFAJLSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436061 1017979273 /nfs/dbraw/zinc/97/92/73/1017979273.db2.gz QFPRFLBBEYLZQK-FPMFFAJLSA-N 2 1 381.307 3.988 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc4c3OC(F)(F)O4)CC2)oc1C ZINC000562737113 1018586291 /nfs/dbraw/zinc/58/62/91/1018586291.db2.gz JQIYCOUWMSGYIG-UHFFFAOYSA-N 2 1 393.434 3.615 20 0 GHADMP C[C@@H](C[NH+](C)C)Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001155922578 1032796007 /nfs/dbraw/zinc/79/60/07/1032796007.db2.gz WUNMAPVGMAMVHL-GJZGRUSLSA-N 2 1 387.597 3.774 20 0 GHADMP Brc1ccn2cc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)nc2c1 ZINC000564377999 1019063850 /nfs/dbraw/zinc/06/38/50/1019063850.db2.gz JFFGOIBFNUDQCK-UHFFFAOYSA-N 2 1 399.336 3.982 20 0 GHADMP CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000572153272 1019745608 /nfs/dbraw/zinc/74/56/08/1019745608.db2.gz MKQMGLWQIMVRFY-NRFANRHFSA-N 2 1 383.511 3.586 20 0 GHADMP CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000572153272 1019745623 /nfs/dbraw/zinc/74/56/23/1019745623.db2.gz MKQMGLWQIMVRFY-NRFANRHFSA-N 2 1 383.511 3.586 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572166010 1019746565 /nfs/dbraw/zinc/74/65/65/1019746565.db2.gz YCOFUGOTLKNGKW-APWZRJJASA-N 2 1 375.463 3.726 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572166010 1019746572 /nfs/dbraw/zinc/74/65/72/1019746572.db2.gz YCOFUGOTLKNGKW-APWZRJJASA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000572797084 1019801299 /nfs/dbraw/zinc/80/12/99/1019801299.db2.gz HBUCEUDYHZHJIK-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577492266 1020210577 /nfs/dbraw/zinc/21/05/77/1020210577.db2.gz KIBBPKWJBXVTAY-FGZHOGPDSA-N 2 1 380.532 3.522 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577492266 1020210590 /nfs/dbraw/zinc/21/05/90/1020210590.db2.gz KIBBPKWJBXVTAY-FGZHOGPDSA-N 2 1 380.532 3.522 20 0 GHADMP Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000578656504 1020353811 /nfs/dbraw/zinc/35/38/11/1020353811.db2.gz ZBGZCUIJZUEIGB-HXUWFJFHSA-N 2 1 398.576 3.597 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1(C)C ZINC000628235809 1020679645 /nfs/dbraw/zinc/67/96/45/1020679645.db2.gz CJVVFAQJALHCKY-JOCHJYFZSA-N 2 1 389.547 3.956 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639258532 1021067534 /nfs/dbraw/zinc/06/75/34/1021067534.db2.gz BWARJXZNJPPLJG-YZUZCNPQSA-N 2 1 380.532 3.729 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639258532 1021067539 /nfs/dbraw/zinc/06/75/39/1021067539.db2.gz BWARJXZNJPPLJG-YZUZCNPQSA-N 2 1 380.532 3.729 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000644574077 1021110880 /nfs/dbraw/zinc/11/08/80/1021110880.db2.gz SBLCJWFAYOPJPY-JLHGSKIFSA-N 2 1 399.560 3.642 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000644574077 1021110885 /nfs/dbraw/zinc/11/08/85/1021110885.db2.gz SBLCJWFAYOPJPY-JLHGSKIFSA-N 2 1 399.560 3.642 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1cc(C)c(C)o1)CC2 ZINC001204534674 1032956364 /nfs/dbraw/zinc/95/63/64/1032956364.db2.gz XBLAXNBWQCZNSG-OAQYLSRUSA-N 2 1 390.568 3.626 20 0 GHADMP Cc1ccc2n[nH]c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)c2c1 ZINC001140328557 1021413638 /nfs/dbraw/zinc/41/36/38/1021413638.db2.gz DKNNTJNLDXAQAS-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccccc3)CCO4)c2c1 ZINC001140328557 1021413643 /nfs/dbraw/zinc/41/36/43/1021413643.db2.gz DKNNTJNLDXAQAS-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)c2c1 ZINC001140328557 1021413649 /nfs/dbraw/zinc/41/36/49/1021413649.db2.gz DKNNTJNLDXAQAS-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP C[C@H](Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F)C1CC[NH+](C)CC1 ZINC000679087241 1021959503 /nfs/dbraw/zinc/95/95/03/1021959503.db2.gz SUXQYODCLBCRLY-SJORKVTESA-N 2 1 390.547 3.781 20 0 GHADMP C[C@@H]1C[C@H](Nc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)CC[NH+]1C ZINC000679087193 1021959638 /nfs/dbraw/zinc/95/96/38/1021959638.db2.gz RMCHUOPHRHEHLJ-LZLYRXPVSA-N 2 1 376.520 3.533 20 0 GHADMP C[C@@H]1C[C@H](Nc2cc(NC(=O)C[NH+]3CCCC[C@@H]3C)ccc2F)CC[N@@H+]1C ZINC000679087193 1021959642 /nfs/dbraw/zinc/95/96/42/1021959642.db2.gz RMCHUOPHRHEHLJ-LZLYRXPVSA-N 2 1 376.520 3.533 20 0 GHADMP C[C@@H]1C[C@H](Nc2cc(NC(=O)C[NH+]3CCCC[C@@H]3C)ccc2F)CC[N@H+]1C ZINC000679087193 1021959647 /nfs/dbraw/zinc/95/96/47/1021959647.db2.gz RMCHUOPHRHEHLJ-LZLYRXPVSA-N 2 1 376.520 3.533 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000679461214 1021998818 /nfs/dbraw/zinc/99/88/18/1021998818.db2.gz RMNAADIQKDXJTO-KDURUIRLSA-N 2 1 382.552 3.801 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000679461214 1021998823 /nfs/dbraw/zinc/99/88/23/1021998823.db2.gz RMNAADIQKDXJTO-KDURUIRLSA-N 2 1 382.552 3.801 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835300480 1022014453 /nfs/dbraw/zinc/01/44/53/1022014453.db2.gz RHQDATWQYUSHNJ-VGOFRKELSA-N 2 1 394.450 3.599 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835300480 1022014462 /nfs/dbraw/zinc/01/44/62/1022014462.db2.gz RHQDATWQYUSHNJ-VGOFRKELSA-N 2 1 394.450 3.599 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001204679293 1033028316 /nfs/dbraw/zinc/02/83/16/1033028316.db2.gz KMRZHLMEKWQWJL-WBADGQHESA-N 2 1 380.532 3.868 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001204679293 1033028329 /nfs/dbraw/zinc/02/83/29/1033028329.db2.gz KMRZHLMEKWQWJL-WBADGQHESA-N 2 1 380.532 3.868 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001204679293 1033028339 /nfs/dbraw/zinc/02/83/39/1033028339.db2.gz KMRZHLMEKWQWJL-WBADGQHESA-N 2 1 380.532 3.868 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001204679293 1033028345 /nfs/dbraw/zinc/02/83/45/1033028345.db2.gz KMRZHLMEKWQWJL-WBADGQHESA-N 2 1 380.532 3.868 20 0 GHADMP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3csc4ccccc34)CC2)CC1 ZINC001140635684 1022123300 /nfs/dbraw/zinc/12/33/00/1022123300.db2.gz JPJIBSWZRCOWGB-UHFFFAOYSA-N 2 1 385.577 3.666 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(C)c1 ZINC001140674243 1022229597 /nfs/dbraw/zinc/22/95/97/1022229597.db2.gz OJLZOYSSIPNQEF-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC(F)F ZINC001204734747 1033053335 /nfs/dbraw/zinc/05/33/35/1033053335.db2.gz DEARZUPLHRLMCF-UHFFFAOYSA-N 2 1 376.394 3.855 20 0 GHADMP CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c2ccccc21 ZINC001140802616 1022572247 /nfs/dbraw/zinc/57/22/47/1022572247.db2.gz AVLFDRDJLWUYIU-QGZVFWFLSA-N 2 1 388.515 3.720 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000754658339 1022814356 /nfs/dbraw/zinc/81/43/56/1022814356.db2.gz KPGIKEQJWNATMG-IBGZPJMESA-N 2 1 385.577 3.750 20 0 GHADMP COc1ccc(CN2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1N ZINC001140897870 1022829330 /nfs/dbraw/zinc/82/93/30/1022829330.db2.gz POMCNBSKUYRTLS-UHFFFAOYSA-N 2 1 384.524 3.513 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCCN3Cc3c(C)noc3C)CC2)cc1N ZINC001140897870 1022829348 /nfs/dbraw/zinc/82/93/48/1022829348.db2.gz POMCNBSKUYRTLS-UHFFFAOYSA-N 2 1 384.524 3.513 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756093942 1023519346 /nfs/dbraw/zinc/51/93/46/1023519346.db2.gz HHZRNLAXOOAFEP-CALCHBBNSA-N 2 1 376.545 3.886 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000756093942 1023519349 /nfs/dbraw/zinc/51/93/49/1023519349.db2.gz HHZRNLAXOOAFEP-CALCHBBNSA-N 2 1 376.545 3.886 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]c1C ZINC001204938898 1033177951 /nfs/dbraw/zinc/17/79/51/1033177951.db2.gz UNHGWTROBYZHNI-YUXAGFNASA-N 2 1 381.520 3.500 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)c1C ZINC001138136008 1024200907 /nfs/dbraw/zinc/20/09/07/1024200907.db2.gz NAHDIDPTLPQATK-NHCUHLMSSA-N 2 1 395.547 3.680 20 0 GHADMP CCc1ccccc1C[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001141226568 1024201807 /nfs/dbraw/zinc/20/18/07/1024201807.db2.gz CPPICZWZAZGJNI-WXFUMESZSA-N 2 1 386.580 3.729 20 0 GHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(I)c2)CC1 ZINC001138228166 1024412647 /nfs/dbraw/zinc/41/26/47/1024412647.db2.gz MKSGOJOUAMAIHW-UHFFFAOYSA-N 2 1 386.321 3.988 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(I)c2)CC1 ZINC001138228166 1024412654 /nfs/dbraw/zinc/41/26/54/1024412654.db2.gz MKSGOJOUAMAIHW-UHFFFAOYSA-N 2 1 386.321 3.988 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@H]2C1 ZINC001138276596 1024528088 /nfs/dbraw/zinc/52/80/88/1024528088.db2.gz OFBZRKIKPTUGAA-CHWSQXEVSA-N 2 1 384.471 3.551 20 0 GHADMP CC(C)(C)c1[nH]c2ccccc2c1C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001138315237 1024632498 /nfs/dbraw/zinc/63/24/98/1024632498.db2.gz YZVISWGFGKIJKV-UHFFFAOYSA-N 2 1 396.579 3.627 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)c1 ZINC001141405038 1024914323 /nfs/dbraw/zinc/91/43/23/1024914323.db2.gz BRDAJSXHRUOONA-WOJBJXKFSA-N 2 1 398.572 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC001138550302 1024998358 /nfs/dbraw/zinc/99/83/58/1024998358.db2.gz OSWDSDLNXFPZHQ-UHFFFAOYSA-N 2 1 389.503 3.967 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ccccc1 ZINC001138551817 1025006166 /nfs/dbraw/zinc/00/61/66/1025006166.db2.gz NSMROIYTDCMAGA-YADHBBJMSA-N 2 1 375.472 3.569 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ccccc1 ZINC001138551817 1025006175 /nfs/dbraw/zinc/00/61/75/1025006175.db2.gz NSMROIYTDCMAGA-YADHBBJMSA-N 2 1 375.472 3.569 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC001141444550 1025073246 /nfs/dbraw/zinc/07/32/46/1025073246.db2.gz RGLNHZPBDIDPIX-OYRHQHFDSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001141444550 1025073256 /nfs/dbraw/zinc/07/32/56/1025073256.db2.gz RGLNHZPBDIDPIX-OYRHQHFDSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001141444550 1025073267 /nfs/dbraw/zinc/07/32/67/1025073267.db2.gz RGLNHZPBDIDPIX-OYRHQHFDSA-N 2 1 397.607 3.725 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(C)c1C ZINC001138724470 1025251900 /nfs/dbraw/zinc/25/19/00/1025251900.db2.gz NPWGTPOZPHLEJC-YADHBBJMSA-N 2 1 379.548 3.969 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(C)c1C ZINC001138724470 1025251905 /nfs/dbraw/zinc/25/19/05/1025251905.db2.gz NPWGTPOZPHLEJC-YADHBBJMSA-N 2 1 379.548 3.969 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(C)c1C ZINC001138724470 1025251916 /nfs/dbraw/zinc/25/19/16/1025251916.db2.gz NPWGTPOZPHLEJC-YADHBBJMSA-N 2 1 379.548 3.969 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(C)c1C ZINC001138724470 1025251920 /nfs/dbraw/zinc/25/19/20/1025251920.db2.gz NPWGTPOZPHLEJC-YADHBBJMSA-N 2 1 379.548 3.969 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCc3ccccc3[C@@H]2C)c1C ZINC001141564954 1025564174 /nfs/dbraw/zinc/56/41/74/1025564174.db2.gz RKMXXLWTAOWBCI-IBGZPJMESA-N 2 1 396.579 3.822 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCc3ccccc3[C@@H]2C)c1C ZINC001141564954 1025564184 /nfs/dbraw/zinc/56/41/84/1025564184.db2.gz RKMXXLWTAOWBCI-IBGZPJMESA-N 2 1 396.579 3.822 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000839073762 1025568223 /nfs/dbraw/zinc/56/82/23/1025568223.db2.gz QNCWKVMVXONJTE-PXDATVDWSA-N 2 1 393.575 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000839090307 1025589126 /nfs/dbraw/zinc/58/91/26/1025589126.db2.gz PVUUZMCNUOPIMR-NRFANRHFSA-N 2 1 385.552 3.737 20 0 GHADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H]2OCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000839101023 1025600530 /nfs/dbraw/zinc/60/05/30/1025600530.db2.gz UVZVARPQYZLNDV-UXHICEINSA-N 2 1 397.604 3.503 20 0 GHADMP CCC(=O)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138967322 1025676984 /nfs/dbraw/zinc/67/69/84/1025676984.db2.gz ICNYITDKUHPCNQ-FCHUYYIVSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138967322 1025676995 /nfs/dbraw/zinc/67/69/95/1025676995.db2.gz ICNYITDKUHPCNQ-FCHUYYIVSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138967322 1025677005 /nfs/dbraw/zinc/67/70/05/1025677005.db2.gz ICNYITDKUHPCNQ-FCHUYYIVSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138967322 1025677016 /nfs/dbraw/zinc/67/70/16/1025677016.db2.gz ICNYITDKUHPCNQ-FCHUYYIVSA-N 2 1 378.516 3.956 20 0 GHADMP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183206 1025695479 /nfs/dbraw/zinc/69/54/79/1025695479.db2.gz UVLVGPVNIJMLGF-OALUTQOASA-N 2 1 385.552 3.553 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CCN(Cc1ccc(-c3cccs3)s1)CC2 ZINC001139018237 1025777314 /nfs/dbraw/zinc/77/73/14/1025777314.db2.gz IDSYTGVERRVZCO-UHFFFAOYSA-N 2 1 389.590 3.653 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]3C2)cc1 ZINC001139080902 1025893541 /nfs/dbraw/zinc/89/35/41/1025893541.db2.gz NIVIWXZKSSCQOD-SZPZYZBQSA-N 2 1 386.499 3.833 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]3C2)cc1 ZINC001139080902 1025893567 /nfs/dbraw/zinc/89/35/67/1025893567.db2.gz NIVIWXZKSSCQOD-SZPZYZBQSA-N 2 1 386.499 3.833 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]3C2)cc1 ZINC001139080902 1025893592 /nfs/dbraw/zinc/89/35/92/1025893592.db2.gz NIVIWXZKSSCQOD-SZPZYZBQSA-N 2 1 386.499 3.833 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(Oc5ncccn5)cc4)C[C@@H]3C2)cc1 ZINC001139080902 1025893612 /nfs/dbraw/zinc/89/36/12/1025893612.db2.gz NIVIWXZKSSCQOD-SZPZYZBQSA-N 2 1 386.499 3.833 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001139094538 1025907057 /nfs/dbraw/zinc/90/70/57/1025907057.db2.gz DFALZMCIWYQPBB-UHFFFAOYSA-N 2 1 396.926 3.617 20 0 GHADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCc3ccc4c(c3)CC[NH2+]C4)c12 ZINC001162803102 1025921895 /nfs/dbraw/zinc/92/18/95/1025921895.db2.gz QNUAXVDXPMYHNA-UHFFFAOYSA-N 2 1 387.487 3.947 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC001141630381 1025958898 /nfs/dbraw/zinc/95/88/98/1025958898.db2.gz PPASTLZSNSTZGO-AUSIDOKSSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC001141630381 1025958905 /nfs/dbraw/zinc/95/89/05/1025958905.db2.gz PPASTLZSNSTZGO-AUSIDOKSSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC001141630381 1025958910 /nfs/dbraw/zinc/95/89/10/1025958910.db2.gz PPASTLZSNSTZGO-AUSIDOKSSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(-c4ccccn4)n[nH]3)cc2)C1 ZINC001461045739 1069358316 /nfs/dbraw/zinc/35/83/16/1069358316.db2.gz YPMIIHRLKOCUMP-GOSISDBHSA-N 2 1 375.520 3.993 20 0 GHADMP CC(C)Oc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001162927305 1025970042 /nfs/dbraw/zinc/97/00/42/1025970042.db2.gz AGHUPPRDXURJKJ-NRFANRHFSA-N 2 1 394.563 3.783 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cccc4nsnc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001162935864 1025973403 /nfs/dbraw/zinc/97/34/03/1025973403.db2.gz XAVTVERHLUJFFL-SFHVURJKSA-N 2 1 393.560 3.605 20 0 GHADMP CNc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1C ZINC001162941336 1025978722 /nfs/dbraw/zinc/97/87/22/1025978722.db2.gz IJCCUMBZBNXODX-OAQYLSRUSA-N 2 1 378.564 3.950 20 0 GHADMP CC(C)(C)c1ncncc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941604 1025978954 /nfs/dbraw/zinc/97/89/54/1025978954.db2.gz XJGXYQJXOFMKCA-FQEVSTJZSA-N 2 1 393.579 3.688 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC001139328888 1026188492 /nfs/dbraw/zinc/18/84/92/1026188492.db2.gz LNGOFNRENXEENH-JOCHJYFZSA-N 2 1 391.519 3.737 20 0 GHADMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001139455652 1026319925 /nfs/dbraw/zinc/31/99/25/1026319925.db2.gz RYNFJBVTJGWSNV-SESVDKBCSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001139455652 1026319939 /nfs/dbraw/zinc/31/99/39/1026319939.db2.gz RYNFJBVTJGWSNV-SESVDKBCSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001139455652 1026319950 /nfs/dbraw/zinc/31/99/50/1026319950.db2.gz RYNFJBVTJGWSNV-SESVDKBCSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)cn1 ZINC001139455652 1026319961 /nfs/dbraw/zinc/31/99/61/1026319961.db2.gz RYNFJBVTJGWSNV-SESVDKBCSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001139455653 1026320344 /nfs/dbraw/zinc/32/03/44/1026320344.db2.gz RYNFJBVTJGWSNV-TYPHKJRUSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001139455653 1026320359 /nfs/dbraw/zinc/32/03/59/1026320359.db2.gz RYNFJBVTJGWSNV-TYPHKJRUSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001139455653 1026320372 /nfs/dbraw/zinc/32/03/72/1026320372.db2.gz RYNFJBVTJGWSNV-TYPHKJRUSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001139455653 1026320384 /nfs/dbraw/zinc/32/03/84/1026320384.db2.gz RYNFJBVTJGWSNV-TYPHKJRUSA-N 2 1 384.593 3.942 20 0 GHADMP Fc1c(Br)cccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001139531895 1026390217 /nfs/dbraw/zinc/39/02/17/1026390217.db2.gz ZLDFKZBHCVPVOW-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3ncc(C(F)(F)F)cc23)C1 ZINC001139542755 1026404604 /nfs/dbraw/zinc/40/46/04/1026404604.db2.gz PDEXOGPOZCEYOZ-HNNXBMFYSA-N 2 1 376.382 3.938 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)CC1 ZINC001164480460 1026522990 /nfs/dbraw/zinc/52/29/90/1026522990.db2.gz RQHJKUUYAJSNLJ-HBMCJLEFSA-N 2 1 385.596 3.864 20 0 GHADMP C[NH2+]Cc1c(C)nn(-c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)c1C ZINC001165153427 1026635975 /nfs/dbraw/zinc/63/59/75/1026635975.db2.gz HLFAJPUBBOZARJ-UHFFFAOYSA-N 2 1 398.580 3.816 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001140025866 1026813072 /nfs/dbraw/zinc/81/30/72/1026813072.db2.gz FBEQJOBUPNHARJ-UHFFFAOYSA-N 2 1 382.508 3.766 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCN(c2cc(-n3ccnc3)cc[nH+]2)CC1 ZINC001166571908 1027030108 /nfs/dbraw/zinc/03/01/08/1027030108.db2.gz ZHVGCIQIOHVQIH-UHFFFAOYSA-N 2 1 390.878 3.796 20 0 GHADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001209765110 1027164921 /nfs/dbraw/zinc/16/49/21/1027164921.db2.gz XMEWSNMQNUBDSJ-UHFFFAOYSA-N 2 1 387.531 3.960 20 0 GHADMP CC[NH+](CC)Cc1ccc(Nc2[nH+]c3ccccc3n2CCNC(C)=O)cc1 ZINC001209822475 1027221761 /nfs/dbraw/zinc/22/17/61/1027221761.db2.gz YITJSNNFWCEERH-UHFFFAOYSA-N 2 1 379.508 3.758 20 0 GHADMP CCc1nc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH]1 ZINC001203239047 1027244047 /nfs/dbraw/zinc/24/40/47/1027244047.db2.gz UWOPXNDLEHODES-HXUWFJFHSA-N 2 1 382.552 3.536 20 0 GHADMP Brc1ccc2cc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)ncc2c1 ZINC001210261973 1027412163 /nfs/dbraw/zinc/41/21/63/1027412163.db2.gz LNPUVJVVQVIFHW-UHFFFAOYSA-N 2 1 384.281 3.546 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(OC)c1)CC2 ZINC001203821205 1027633756 /nfs/dbraw/zinc/63/37/56/1027633756.db2.gz QJPJYLAYZDCIHE-QFIPXVFZSA-N 2 1 395.547 3.593 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)cc(OC)c1 ZINC001203856501 1027662864 /nfs/dbraw/zinc/66/28/64/1027662864.db2.gz WDZYVXOGKHLUNG-WDJPJFJCSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc(OC)c1 ZINC001203856501 1027662872 /nfs/dbraw/zinc/66/28/72/1027662872.db2.gz WDZYVXOGKHLUNG-WDJPJFJCSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc(OC)c1 ZINC001203856501 1027662880 /nfs/dbraw/zinc/66/28/80/1027662880.db2.gz WDZYVXOGKHLUNG-WDJPJFJCSA-N 2 1 395.547 3.831 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837275 1027671654 /nfs/dbraw/zinc/67/16/54/1027671654.db2.gz OTPOWGYJCGAGFE-UXHICEINSA-N 2 1 378.605 3.595 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001210844243 1027674719 /nfs/dbraw/zinc/67/47/19/1027674719.db2.gz IBDLTPOSXJHZDR-WOJBJXKFSA-N 2 1 388.556 3.513 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203914346 1027703492 /nfs/dbraw/zinc/70/34/92/1027703492.db2.gz RMBPRHSIWMNWTC-QFIPXVFZSA-N 2 1 390.543 3.555 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001203926080 1027715821 /nfs/dbraw/zinc/71/58/21/1027715821.db2.gz JEVUZENOMWQTHW-UHFFFAOYSA-N 2 1 378.520 3.528 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC001203954994 1027750907 /nfs/dbraw/zinc/75/09/07/1027750907.db2.gz DJRBABUODXGCCJ-JOCHJYFZSA-N 2 1 395.547 3.593 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC001461287186 1069481506 /nfs/dbraw/zinc/48/15/06/1069481506.db2.gz SJDPXHLERJYWSI-NHCUHLMSSA-N 2 1 395.591 3.873 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1sccc1C)CC2 ZINC001204019907 1027809775 /nfs/dbraw/zinc/80/97/75/1027809775.db2.gz RSPLIOJAYABNCL-FQEVSTJZSA-N 2 1 392.609 3.786 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000840776969 1027815730 /nfs/dbraw/zinc/81/57/30/1027815730.db2.gz QTOSGBFVEVEHNX-AUWMVINFSA-N 2 1 391.600 3.778 20 0 GHADMP Cc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)s1 ZINC001204033231 1027823342 /nfs/dbraw/zinc/82/33/42/1027823342.db2.gz LZYXKMZZAANAFY-UHFFFAOYSA-N 2 1 397.588 3.613 20 0 GHADMP CC(C)[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001211244883 1027855217 /nfs/dbraw/zinc/85/52/17/1027855217.db2.gz MDHUBSBTYSSQEA-SFTDATJTSA-N 2 1 380.621 3.697 20 0 GHADMP C[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001211279093 1027882862 /nfs/dbraw/zinc/88/28/62/1027882862.db2.gz ZSTBOHSUSBMCOC-MDZRGWNJSA-N 2 1 380.964 3.505 20 0 GHADMP CCN(C(=O)Nc1cccc(OCC[NH3+])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000841284101 1028368882 /nfs/dbraw/zinc/36/88/82/1028368882.db2.gz COBUFPSONJOOKC-RXVVDRJESA-N 2 1 396.535 3.713 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(c2)OCCCO4)CC3)c1 ZINC001142262451 1028517486 /nfs/dbraw/zinc/51/74/86/1028517486.db2.gz DJEZFRPTNWZOGH-UHFFFAOYSA-N 2 1 393.531 3.731 20 0 GHADMP CC(C)(CNC(=O)c1ccc(C[NH+]2CCCCC2)o1)[N@H+]1CCc2ccccc2C1 ZINC001142382973 1028794092 /nfs/dbraw/zinc/79/40/92/1028794092.db2.gz YFQHNMMKRYYSCS-UHFFFAOYSA-N 2 1 395.547 3.832 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123849361 1028972722 /nfs/dbraw/zinc/97/27/22/1028972722.db2.gz OGBHEFLFRGWAND-ZWKOTPCHSA-N 2 1 376.504 3.855 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123849361 1028972728 /nfs/dbraw/zinc/97/27/28/1028972728.db2.gz OGBHEFLFRGWAND-ZWKOTPCHSA-N 2 1 376.504 3.855 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(-c4ccccc4)cc3)CC2)C1 ZINC000842479166 1029316066 /nfs/dbraw/zinc/31/60/66/1029316066.db2.gz OVIYBVIGBYEPQS-JTHBVZDNSA-N 2 1 393.531 3.510 20 0 GHADMP Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2ccc(C[NH2+]CC(C)C)cc2)[nH+]1 ZINC001215744550 1029378251 /nfs/dbraw/zinc/37/82/51/1029378251.db2.gz XPOQQSKUYNIYIL-CALCHBBNSA-N 2 1 383.540 3.888 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC001142902827 1029661859 /nfs/dbraw/zinc/66/18/59/1029661859.db2.gz INQZDCCLUBIDLW-UHFFFAOYSA-N 2 1 398.572 3.952 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000842920744 1029685269 /nfs/dbraw/zinc/68/52/69/1029685269.db2.gz LDVGUMSAKYRURT-WEYGHZABSA-N 2 1 379.504 3.639 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCCC2=O)cc1 ZINC000842919928 1029685894 /nfs/dbraw/zinc/68/58/94/1029685894.db2.gz DPDHANBPIYFMJS-ZEYPLWLESA-N 2 1 377.532 3.809 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4cccnc4[nH]3)C[C@@H]21 ZINC001143220167 1029924817 /nfs/dbraw/zinc/92/48/17/1029924817.db2.gz HCZXKVDPFBBBBV-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4cccnc4[nH]3)C[C@@H]21 ZINC001143220167 1029924824 /nfs/dbraw/zinc/92/48/24/1029924824.db2.gz HCZXKVDPFBBBBV-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4cccnc4[nH]3)C[C@@H]21 ZINC001143220167 1029924834 /nfs/dbraw/zinc/92/48/34/1029924834.db2.gz HCZXKVDPFBBBBV-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4cccnc4[nH]3)C[C@@H]21 ZINC001143220167 1029924843 /nfs/dbraw/zinc/92/48/43/1029924843.db2.gz HCZXKVDPFBBBBV-YUXAGFNASA-N 2 1 375.520 3.690 20 0 GHADMP COc1cc2c(cc1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)oc1ccccc12 ZINC000843354917 1029933522 /nfs/dbraw/zinc/93/35/22/1029933522.db2.gz LHNUSHORONIMGE-UHFFFAOYSA-N 2 1 381.476 3.735 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222094272 1029962246 /nfs/dbraw/zinc/96/22/46/1029962246.db2.gz AQBAKEPPGGAFJG-UHFFFAOYSA-N 2 1 389.465 3.900 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC001222115661 1029969607 /nfs/dbraw/zinc/96/96/07/1029969607.db2.gz RYBHWEVMUCKNBH-OAQYLSRUSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC001222115661 1029969611 /nfs/dbraw/zinc/96/96/11/1029969611.db2.gz RYBHWEVMUCKNBH-OAQYLSRUSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001222115661 1029969618 /nfs/dbraw/zinc/96/96/18/1029969618.db2.gz RYBHWEVMUCKNBH-OAQYLSRUSA-N 2 1 386.584 3.605 20 0 GHADMP FC(F)(F)c1cc(Cl)c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c(Cl)c1 ZINC001222211587 1030007963 /nfs/dbraw/zinc/00/79/63/1030007963.db2.gz NJTJPNVQHXTMED-UHFFFAOYSA-N 2 1 383.241 3.967 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1c(C)cc(OC(C)C)cc1C)CC[NH2+]CC2 ZINC001222230791 1030023996 /nfs/dbraw/zinc/02/39/96/1030023996.db2.gz DMMRGGXPHVTSEM-NRFANRHFSA-N 2 1 388.552 3.598 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC001222313774 1030064973 /nfs/dbraw/zinc/06/49/73/1030064973.db2.gz FWKCJOZORCRJQZ-MPGHIAIKSA-N 2 1 399.366 3.522 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001222496382 1030168164 /nfs/dbraw/zinc/16/81/64/1030168164.db2.gz QISVWZCRUKJEOJ-FCHUYYIVSA-N 2 1 388.600 3.981 20 0 GHADMP c1cc(-c2noc(-c3ccc([C@@H]4CCC[NH2+]4)cc3)n2)ccc1C[NH+]1CCOCC1 ZINC001217117442 1030178000 /nfs/dbraw/zinc/17/80/00/1030178000.db2.gz YUDROVAFEXZCCX-NRFANRHFSA-N 2 1 390.487 3.660 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)CCO3)cc1 ZINC001222574633 1030205005 /nfs/dbraw/zinc/20/50/05/1030205005.db2.gz IJRYIYYRMGMEJF-QHCPKHFHSA-N 2 1 392.543 3.925 20 0 GHADMP CCCn1cc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222584457 1030211420 /nfs/dbraw/zinc/21/14/20/1030211420.db2.gz RQZWXSFPAPSPNT-QFIPXVFZSA-N 2 1 382.552 3.597 20 0 GHADMP CCCn1cc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222584457 1030211437 /nfs/dbraw/zinc/21/14/37/1030211437.db2.gz RQZWXSFPAPSPNT-QFIPXVFZSA-N 2 1 382.552 3.597 20 0 GHADMP c1cn2cc(C[N@@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccc2n1 ZINC001222584489 1030212188 /nfs/dbraw/zinc/21/21/88/1030212188.db2.gz SJGMPUOYYOHGMK-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1cn2cc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ccc2n1 ZINC001222584489 1030212200 /nfs/dbraw/zinc/21/22/00/1030212200.db2.gz SJGMPUOYYOHGMK-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222609461 1030232940 /nfs/dbraw/zinc/23/29/40/1030232940.db2.gz OJNUKUUXAVQWBW-FQEVSTJZSA-N 2 1 380.442 3.544 20 0 GHADMP Fc1cc(F)cc(-c2n[nH]cc2C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222609461 1030232959 /nfs/dbraw/zinc/23/29/59/1030232959.db2.gz OJNUKUUXAVQWBW-FQEVSTJZSA-N 2 1 380.442 3.544 20 0 GHADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614538 1030238145 /nfs/dbraw/zinc/23/81/45/1030238145.db2.gz GDEGCXPOAWOVEO-QGZVFWFLSA-N 2 1 386.421 3.771 20 0 GHADMP FC(F)(F)c1ccc2c(c1)n[nH]c2C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614538 1030238150 /nfs/dbraw/zinc/23/81/50/1030238150.db2.gz GDEGCXPOAWOVEO-QGZVFWFLSA-N 2 1 386.421 3.771 20 0 GHADMP Brc1cccc(Br)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222623332 1030245643 /nfs/dbraw/zinc/24/56/43/1030245643.db2.gz GWNMOYQNSPLHEB-TXEJJXNPSA-N 2 1 388.147 3.643 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC001222651730 1030261339 /nfs/dbraw/zinc/26/13/39/1030261339.db2.gz RZAYNMXBXVKMFX-PMACEKPBSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001222651730 1030261355 /nfs/dbraw/zinc/26/13/55/1030261355.db2.gz RZAYNMXBXVKMFX-PMACEKPBSA-N 2 1 388.600 3.981 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001222651730 1030261364 /nfs/dbraw/zinc/26/13/64/1030261364.db2.gz RZAYNMXBXVKMFX-PMACEKPBSA-N 2 1 388.600 3.981 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC001222665316 1030268505 /nfs/dbraw/zinc/26/85/05/1030268505.db2.gz BUQCPFXZAHZCNC-WTIAFYNJSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001222665316 1030268519 /nfs/dbraw/zinc/26/85/19/1030268519.db2.gz BUQCPFXZAHZCNC-WTIAFYNJSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001222665316 1030268536 /nfs/dbraw/zinc/26/85/36/1030268536.db2.gz BUQCPFXZAHZCNC-WTIAFYNJSA-N 2 1 398.595 3.735 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC001149819998 1030315070 /nfs/dbraw/zinc/31/50/70/1030315070.db2.gz NBTLGPVRDGXFLZ-NRFANRHFSA-N 2 1 389.559 3.664 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC001461681573 1069675289 /nfs/dbraw/zinc/67/52/89/1069675289.db2.gz FZESWGOMDZHDDF-OXJNMPFZSA-N 2 1 383.536 3.666 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3C[NH2+]CCC[C@@]3(c3nnc(CC4CCCCC4)o3)C2)cc1 ZINC001217754008 1030645058 /nfs/dbraw/zinc/64/50/58/1030645058.db2.gz DVYOHSSZKGQMQF-ZJSXRUAMSA-N 2 1 394.563 3.946 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001150960203 1030722068 /nfs/dbraw/zinc/72/20/68/1030722068.db2.gz BBAPLPXEWWROJU-VIZSFHNOSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)C[C@@H](CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001223829799 1030772036 /nfs/dbraw/zinc/77/20/36/1030772036.db2.gz IYWSXBKTGIHJGJ-CTNGQTDRSA-N 2 1 388.600 3.783 20 0 GHADMP c1ccc(C(c2ccccc2)[NH+]2CC(Oc3ccc4c(n3)CC[NH2+]CC4)C2)cc1 ZINC001218191165 1030814769 /nfs/dbraw/zinc/81/47/69/1030814769.db2.gz BMIYGYIYVFUBGS-UHFFFAOYSA-N 2 1 385.511 3.622 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218337269 1030901209 /nfs/dbraw/zinc/90/12/09/1030901209.db2.gz WGPFOHLCCTUEPD-HYBUGGRVSA-N 2 1 393.575 3.899 20 0 GHADMP COC(=O)C[C@@H]([NH3+])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001218411103 1030927568 /nfs/dbraw/zinc/92/75/68/1030927568.db2.gz ZBCMBPNXVDKRTN-AZUAARDMSA-N 2 1 388.895 3.556 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001152023952 1031079364 /nfs/dbraw/zinc/07/93/64/1031079364.db2.gz ZTQWGJZFBNEVEU-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001152023952 1031079380 /nfs/dbraw/zinc/07/93/80/1031079380.db2.gz ZTQWGJZFBNEVEU-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001152023952 1031079401 /nfs/dbraw/zinc/07/94/01/1031079401.db2.gz ZTQWGJZFBNEVEU-GGAORHGYSA-N 2 1 383.580 3.812 20 0 GHADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C1 ZINC001218849092 1031111969 /nfs/dbraw/zinc/11/19/69/1031111969.db2.gz QSGJOKFUJWGOLQ-YADHBBJMSA-N 2 1 393.531 3.687 20 0 GHADMP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C1 ZINC001218849092 1031111982 /nfs/dbraw/zinc/11/19/82/1031111982.db2.gz QSGJOKFUJWGOLQ-YADHBBJMSA-N 2 1 393.531 3.687 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001224843968 1031144972 /nfs/dbraw/zinc/14/49/72/1031144972.db2.gz FLKIIVLEEUDBRX-ZCNNSNEGSA-N 2 1 380.621 3.553 20 0 GHADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](OC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224961295 1031193032 /nfs/dbraw/zinc/19/30/32/1031193032.db2.gz NXEGYVBXTZOTIA-YMPZKCBVSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OC[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC001224961295 1031193038 /nfs/dbraw/zinc/19/30/38/1031193038.db2.gz NXEGYVBXTZOTIA-YMPZKCBVSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC001224961295 1031193046 /nfs/dbraw/zinc/19/30/46/1031193046.db2.gz NXEGYVBXTZOTIA-YMPZKCBVSA-N 2 1 395.547 3.525 20 0 GHADMP C[C@H](c1ccccn1)[NH+]1CCC[C@@H](OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC001224961295 1031193053 /nfs/dbraw/zinc/19/30/53/1031193053.db2.gz NXEGYVBXTZOTIA-YMPZKCBVSA-N 2 1 395.547 3.525 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccc([C@@H](N)C[NH3+])cc1)C1CCCCC1 ZINC001219025381 1031218029 /nfs/dbraw/zinc/21/80/29/1031218029.db2.gz HRMQVZDTPHCYTH-NRFANRHFSA-N 2 1 380.536 3.662 20 0 GHADMP C[N@H+](Cc1ccccc1NC(=O)c1ccc([C@@H]([NH3+])CN)cc1)C1CCCCC1 ZINC001219025381 1031218047 /nfs/dbraw/zinc/21/80/47/1031218047.db2.gz HRMQVZDTPHCYTH-NRFANRHFSA-N 2 1 380.536 3.662 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccc([C@@H]([NH3+])CN)cc1)C1CCCCC1 ZINC001219025381 1031218078 /nfs/dbraw/zinc/21/80/78/1031218078.db2.gz HRMQVZDTPHCYTH-NRFANRHFSA-N 2 1 380.536 3.662 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@]3(C)CC(C)(C)C[NH2+]3)cccc2[C@@H](c2ccccc2)C1 ZINC001219047105 1031229099 /nfs/dbraw/zinc/22/90/99/1031229099.db2.gz QBGUVPQEVUWILA-NTKDMRAZSA-N 2 1 377.532 3.981 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1 ZINC001219706058 1031566900 /nfs/dbraw/zinc/56/69/00/1031566900.db2.gz VKXAZHMFAUWCHX-QHCPKHFHSA-N 2 1 379.548 3.812 20 0 GHADMP [NH3+]CCCCCCCC(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001219716112 1031576451 /nfs/dbraw/zinc/57/64/51/1031576451.db2.gz ATUOFMKAOGHXHH-UHFFFAOYSA-N 2 1 379.548 3.876 20 0 GHADMP C[C@@H](C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001219716615 1031577405 /nfs/dbraw/zinc/57/74/05/1031577405.db2.gz VAMXADZUDYBAID-KNKQGSTJSA-N 2 1 391.559 3.601 20 0 GHADMP CC[C@@H](CC(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728767 1031580578 /nfs/dbraw/zinc/58/05/78/1031580578.db2.gz GZSYPIKUYHWLFC-VXKWHMMOSA-N 2 1 385.596 3.677 20 0 GHADMP CCCN(C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC001220472760 1031955151 /nfs/dbraw/zinc/95/51/51/1031955151.db2.gz JZKXUVMBPJDXME-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)c1ccc(Cl)cc1 ZINC001220634183 1032034595 /nfs/dbraw/zinc/03/45/95/1032034595.db2.gz UFKJCFFEJQIVAB-FQEVSTJZSA-N 2 1 394.991 3.754 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001226611105 1032041628 /nfs/dbraw/zinc/04/16/28/1032041628.db2.gz QXGIVADURJGODU-YLJYHZDGSA-N 2 1 394.991 3.722 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001226611105 1032041640 /nfs/dbraw/zinc/04/16/40/1032041640.db2.gz QXGIVADURJGODU-YLJYHZDGSA-N 2 1 394.991 3.722 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001226611105 1032041654 /nfs/dbraw/zinc/04/16/54/1032041654.db2.gz QXGIVADURJGODU-YLJYHZDGSA-N 2 1 394.991 3.722 20 0 GHADMP CC[NH+]1CCC(C[N@H+](CCNC(C)=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC001205526839 1033454158 /nfs/dbraw/zinc/45/41/58/1033454158.db2.gz KKTUDLAQHAALIF-UHFFFAOYSA-N 2 1 386.367 3.663 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](CCNC(C)=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC001205526839 1033454172 /nfs/dbraw/zinc/45/41/72/1033454172.db2.gz KKTUDLAQHAALIF-UHFFFAOYSA-N 2 1 386.367 3.663 20 0 GHADMP CC[C@@H](C)[C@@H](C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OC ZINC001205702441 1033537166 /nfs/dbraw/zinc/53/71/66/1033537166.db2.gz GMZJUNTZLKPKPO-IIBYNOLFSA-N 2 1 377.573 3.664 20 0 GHADMP CC[C@@H](C)[C@@H](C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1)OC ZINC001205702441 1033537185 /nfs/dbraw/zinc/53/71/85/1033537185.db2.gz GMZJUNTZLKPKPO-IIBYNOLFSA-N 2 1 377.573 3.664 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001205756617 1033560450 /nfs/dbraw/zinc/56/04/50/1033560450.db2.gz YBEVKHIBHHAENN-DEOSSOPVSA-N 2 1 399.579 3.843 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001205756617 1033560456 /nfs/dbraw/zinc/56/04/56/1033560456.db2.gz YBEVKHIBHHAENN-DEOSSOPVSA-N 2 1 399.579 3.843 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001205756617 1033560461 /nfs/dbraw/zinc/56/04/61/1033560461.db2.gz YBEVKHIBHHAENN-DEOSSOPVSA-N 2 1 399.579 3.843 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(NC4(C)CC[NH2+]CC4)c23)C1 ZINC001157403584 1033569440 /nfs/dbraw/zinc/56/94/40/1033569440.db2.gz UREMKOQHVVYONN-HNNXBMFYSA-N 2 1 399.608 3.966 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001229587766 1033575260 /nfs/dbraw/zinc/57/52/60/1033575260.db2.gz CKFPRVWLRBBQIX-OIBXWCBGSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+]1CCN(c2ccccc2Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)CC1 ZINC001205811318 1033585296 /nfs/dbraw/zinc/58/52/96/1033585296.db2.gz OTOCARFEDZTIKO-UHFFFAOYSA-N 2 1 392.547 3.503 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CC[C@H](c3ccccc3)[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157616643 1033693657 /nfs/dbraw/zinc/69/36/57/1033693657.db2.gz WJPLYRPRPKBXBH-CDPNLFKUSA-N 2 1 391.559 3.849 20 0 GHADMP COC(=O)CCC[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)Cc1ccccc1 ZINC001206258279 1033777202 /nfs/dbraw/zinc/77/72/02/1033777202.db2.gz VDRVXWQPXVROEN-UHFFFAOYSA-N 2 1 391.515 3.700 20 0 GHADMP Cc1nc2c(c(OC3CC[NH+](C(C)C)CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229896649 1033779689 /nfs/dbraw/zinc/77/96/89/1033779689.db2.gz TUNQSLUFCOYWJM-UHFFFAOYSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(OC3CC[NH+](C(C)C)CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229896649 1033779702 /nfs/dbraw/zinc/77/97/02/1033779702.db2.gz TUNQSLUFCOYWJM-UHFFFAOYSA-N 2 1 380.536 3.595 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Cl)c(I)c2)CC1 ZINC001206319126 1033793658 /nfs/dbraw/zinc/79/36/58/1033793658.db2.gz XWDDQKVKNVPHPV-OAHLLOKOSA-N 2 1 392.712 3.896 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206598775 1033919078 /nfs/dbraw/zinc/91/90/78/1033919078.db2.gz MNIQESBTNKUDOF-QGZVFWFLSA-N 2 1 391.357 3.987 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(OCc2ccccc2)c1OC ZINC001206811520 1033994643 /nfs/dbraw/zinc/99/46/43/1033994643.db2.gz VZFQTAJGSBTQIJ-IEBWSBKVSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(OCc2ccccc2)c1OC ZINC001206811520 1033994647 /nfs/dbraw/zinc/99/46/47/1033994647.db2.gz VZFQTAJGSBTQIJ-IEBWSBKVSA-N 2 1 384.520 3.842 20 0 GHADMP Cc1cc(N2CCCC2)nc(N(Cc2ccc(F)cc2)C2CC[NH+](C)CC2)[nH+]1 ZINC001158445884 1034081094 /nfs/dbraw/zinc/08/10/94/1034081094.db2.gz LTJANIMJSJLUQO-UHFFFAOYSA-N 2 1 383.515 3.625 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)C1 ZINC001207200202 1034171161 /nfs/dbraw/zinc/17/11/61/1034171161.db2.gz XWVIKWGAKHNPBM-DBXWQHBBSA-N 2 1 390.955 3.793 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214497 1034182307 /nfs/dbraw/zinc/18/23/07/1034182307.db2.gz NUKMAMCBNSYAMG-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214497 1034182320 /nfs/dbraw/zinc/18/23/20/1034182320.db2.gz NUKMAMCBNSYAMG-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001207214497 1034182329 /nfs/dbraw/zinc/18/23/29/1034182329.db2.gz NUKMAMCBNSYAMG-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP C(C[C@H]1CCC[NH2+]1)Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001158626878 1034208243 /nfs/dbraw/zinc/20/82/43/1034208243.db2.gz HEKDRHZHVDNQJX-OAHLLOKOSA-N 2 1 385.581 3.720 20 0 GHADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)C1(C)C ZINC001207273251 1034230370 /nfs/dbraw/zinc/23/03/70/1034230370.db2.gz WNYRZOIJIRYLEK-WMTXJRDZSA-N 2 1 389.628 3.630 20 0 GHADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)C1(C)C ZINC001207273251 1034230377 /nfs/dbraw/zinc/23/03/77/1034230377.db2.gz WNYRZOIJIRYLEK-WMTXJRDZSA-N 2 1 389.628 3.630 20 0 GHADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)C1(C)C ZINC001207273251 1034230382 /nfs/dbraw/zinc/23/03/82/1034230382.db2.gz WNYRZOIJIRYLEK-WMTXJRDZSA-N 2 1 389.628 3.630 20 0 GHADMP C[NH+](C)CC(C)(C)C[NH+]1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 ZINC001207279459 1034233609 /nfs/dbraw/zinc/23/36/09/1034233609.db2.gz GXVLOLHPQZJEEM-UHFFFAOYSA-N 2 1 392.551 3.559 20 0 GHADMP COC(=O)CC[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290486 1034241005 /nfs/dbraw/zinc/24/10/05/1034241005.db2.gz CCECHCBCKJLRJF-UHFFFAOYSA-N 2 1 380.532 3.964 20 0 GHADMP COc1cccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001207427190 1034364683 /nfs/dbraw/zinc/36/46/83/1034364683.db2.gz JVNYDTOBJLLPIS-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001207427190 1034364698 /nfs/dbraw/zinc/36/46/98/1034364698.db2.gz JVNYDTOBJLLPIS-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001207427190 1034364705 /nfs/dbraw/zinc/36/47/05/1034364705.db2.gz JVNYDTOBJLLPIS-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001207427190 1034364716 /nfs/dbraw/zinc/36/47/16/1034364716.db2.gz JVNYDTOBJLLPIS-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001207474575 1034386967 /nfs/dbraw/zinc/38/69/67/1034386967.db2.gz RMSZGQVBWQQADF-UHFFFAOYSA-N 2 1 386.561 3.666 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001207474575 1034386982 /nfs/dbraw/zinc/38/69/82/1034386982.db2.gz RMSZGQVBWQQADF-UHFFFAOYSA-N 2 1 386.561 3.666 20 0 GHADMP C[NH+]1CCC(CC[N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001207482818 1034391504 /nfs/dbraw/zinc/39/15/04/1034391504.db2.gz OTRKXYDIKKCJLZ-UHFFFAOYSA-N 2 1 398.576 3.528 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001231106143 1034400646 /nfs/dbraw/zinc/40/06/46/1034400646.db2.gz KYJYWVUORIHUNM-YADHBBJMSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001231106143 1034400649 /nfs/dbraw/zinc/40/06/49/1034400649.db2.gz KYJYWVUORIHUNM-YADHBBJMSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001231106143 1034400654 /nfs/dbraw/zinc/40/06/54/1034400654.db2.gz KYJYWVUORIHUNM-YADHBBJMSA-N 2 1 390.616 3.737 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(NCC4C[NH+](C)C4)c23)C1 ZINC001159222754 1034494152 /nfs/dbraw/zinc/49/41/52/1034494152.db2.gz RPWCRQREKSQVCF-HNNXBMFYSA-N 2 1 399.608 3.776 20 0 GHADMP Fc1cc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(OCc2ccccc2)c1 ZINC001207675078 1034523046 /nfs/dbraw/zinc/52/30/46/1034523046.db2.gz JYBNYUYODJBLRT-HSZRJFAPSA-N 2 1 398.522 3.790 20 0 GHADMP CC/C=C\CCC[NH+]1CCC2(CN(C(=O)C[NH+](C)C)c3ccc(C)cc32)CC1 ZINC001208132101 1034749836 /nfs/dbraw/zinc/74/98/36/1034749836.db2.gz ITDPTXSQPSLAQT-SREVYHEPSA-N 2 1 383.580 3.983 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC001208158505 1034763268 /nfs/dbraw/zinc/76/32/68/1034763268.db2.gz KNIIPJQKIXLGBQ-SFHVURJKSA-N 2 1 395.551 3.839 20 0 GHADMP Fc1ccc(OCC2CC[NH2+]CC2)c(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001159882998 1034773418 /nfs/dbraw/zinc/77/34/18/1034773418.db2.gz PETAEEJGFPWQIO-UHFFFAOYSA-N 2 1 399.510 3.780 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)Nc2ccnc(C[NH+](C)C)c2)CCCC1)c1ccccc1 ZINC001208183620 1034778957 /nfs/dbraw/zinc/77/89/57/1034778957.db2.gz QEXVSUHBYMMQIK-SFHVURJKSA-N 2 1 395.551 3.928 20 0 GHADMP Cc1cc(Nc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001160226996 1034908815 /nfs/dbraw/zinc/90/88/15/1034908815.db2.gz KBPHPTBEPTXYNP-UHFFFAOYSA-N 2 1 394.563 3.617 20 0 GHADMP CCN(CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208578892 1034938517 /nfs/dbraw/zinc/93/85/17/1034938517.db2.gz MSBKSKOSSRAXNV-HSZRJFAPSA-N 2 1 387.568 3.841 20 0 GHADMP CCN(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208578892 1034938520 /nfs/dbraw/zinc/93/85/20/1034938520.db2.gz MSBKSKOSSRAXNV-HSZRJFAPSA-N 2 1 387.568 3.841 20 0 GHADMP CCN(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208578892 1034938524 /nfs/dbraw/zinc/93/85/24/1034938524.db2.gz MSBKSKOSSRAXNV-HSZRJFAPSA-N 2 1 387.568 3.841 20 0 GHADMP CCN(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208578892 1034938534 /nfs/dbraw/zinc/93/85/34/1034938534.db2.gz MSBKSKOSSRAXNV-HSZRJFAPSA-N 2 1 387.568 3.841 20 0 GHADMP CCN(CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578506 1034938817 /nfs/dbraw/zinc/93/88/17/1034938817.db2.gz BEGGNINENPGZTF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CCN(CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578506 1034938820 /nfs/dbraw/zinc/93/88/20/1034938820.db2.gz BEGGNINENPGZTF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CCN(CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578506 1034938823 /nfs/dbraw/zinc/93/88/23/1034938823.db2.gz BEGGNINENPGZTF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CCN(CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208578506 1034938831 /nfs/dbraw/zinc/93/88/31/1034938831.db2.gz BEGGNINENPGZTF-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP Cc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001231850113 1034941769 /nfs/dbraw/zinc/94/17/69/1034941769.db2.gz HDNXKULCDRDHFP-UHFFFAOYSA-N 2 1 393.575 3.787 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)C1 ZINC001208609040 1034952946 /nfs/dbraw/zinc/95/29/46/1034952946.db2.gz TVMVEEPSRGNHJQ-FQEVSTJZSA-N 2 1 383.580 3.593 20 0 GHADMP CC(C)CN1Cc2ccccc2CC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001208614118 1034955170 /nfs/dbraw/zinc/95/51/70/1034955170.db2.gz RQNVXCBJGKDSMJ-NRFANRHFSA-N 2 1 397.607 3.651 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001208627579 1034959814 /nfs/dbraw/zinc/95/98/14/1034959814.db2.gz INVCPMVEVPCUCH-SFHLNBCPSA-N 2 1 388.552 3.935 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CC[C@H](C)CC(C)(C)C)CCC2 ZINC001208660352 1034971954 /nfs/dbraw/zinc/97/19/54/1034971954.db2.gz OXGAXIDXHXMPFD-SFHVURJKSA-N 2 1 376.589 3.752 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CC[C@H](C)CC(C)(C)C)CCC2 ZINC001208660352 1034971958 /nfs/dbraw/zinc/97/19/58/1034971958.db2.gz OXGAXIDXHXMPFD-SFHVURJKSA-N 2 1 376.589 3.752 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CC[C@H](C)CC(C)(C)C)CCC2 ZINC001208660352 1034971960 /nfs/dbraw/zinc/97/19/60/1034971960.db2.gz OXGAXIDXHXMPFD-SFHVURJKSA-N 2 1 376.589 3.752 20 0 GHADMP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001160595651 1035012807 /nfs/dbraw/zinc/01/28/07/1035012807.db2.gz RTCCSLYFWCCLBL-SVFBPWRDSA-N 2 1 385.596 3.653 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231971834 1035016127 /nfs/dbraw/zinc/01/61/27/1035016127.db2.gz YUWNPJVLNDKQBO-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160682046 1035034309 /nfs/dbraw/zinc/03/43/09/1035034309.db2.gz CCGJOXJTZOOBGK-PKTZIBPZSA-N 2 1 379.548 3.521 20 0 GHADMP COc1ccccc1CCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001208838614 1035051989 /nfs/dbraw/zinc/05/19/89/1035051989.db2.gz MKBLJGIEHZLXDT-NRFANRHFSA-N 2 1 398.547 3.976 20 0 GHADMP COC(=O)c1ccc(-c2ccc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)[nH+]c2C)cc1 ZINC001160745619 1035052878 /nfs/dbraw/zinc/05/28/78/1035052878.db2.gz YEWZJQNWGLYRJF-DLBZAZTESA-N 2 1 393.409 3.796 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H](C)C(F)(F)F)CC2 ZINC001208888282 1035076711 /nfs/dbraw/zinc/07/67/11/1035076711.db2.gz PAZDDMZEGPKOEL-GJZGRUSLSA-N 2 1 391.503 3.644 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC001232079549 1035081706 /nfs/dbraw/zinc/08/17/06/1035081706.db2.gz VFCULZGISNTAFM-UHFFFAOYSA-N 2 1 381.520 3.680 20 0 GHADMP [NH3+]CC1(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)CCCCC1 ZINC001160902415 1035090183 /nfs/dbraw/zinc/09/01/83/1035090183.db2.gz QPQKLWSPQPAWMH-ZZLPTCMGSA-N 2 1 385.596 3.707 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CC[NH+](Cc2ccccc2)C1 ZINC001461937901 1069902866 /nfs/dbraw/zinc/90/28/66/1069902866.db2.gz HBTBLMXGFMWKQW-XUZZJYLKSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@H]2C(=O)NC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001461937901 1069902875 /nfs/dbraw/zinc/90/28/75/1069902875.db2.gz HBTBLMXGFMWKQW-XUZZJYLKSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@H]2C(=O)NC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461937901 1069902889 /nfs/dbraw/zinc/90/28/89/1069902889.db2.gz HBTBLMXGFMWKQW-XUZZJYLKSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936223 1035103554 /nfs/dbraw/zinc/10/35/54/1035103554.db2.gz MUESGIVULCHKNA-VWNXMTODSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936223 1035103559 /nfs/dbraw/zinc/10/35/59/1035103559.db2.gz MUESGIVULCHKNA-VWNXMTODSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936223 1035103567 /nfs/dbraw/zinc/10/35/67/1035103567.db2.gz MUESGIVULCHKNA-VWNXMTODSA-N 2 1 383.580 3.622 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)c2cccc([C@H](C)[NH3+])c2)cc1 ZINC001160958356 1035105929 /nfs/dbraw/zinc/10/59/29/1035105929.db2.gz VHYLIEDIJGCBKB-PGRDOPGGSA-N 2 1 395.547 3.842 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938436 1035106183 /nfs/dbraw/zinc/10/61/83/1035106183.db2.gz ZHJDKVPQEPEKSO-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938436 1035106186 /nfs/dbraw/zinc/10/61/86/1035106186.db2.gz ZHJDKVPQEPEKSO-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938436 1035106190 /nfs/dbraw/zinc/10/61/90/1035106190.db2.gz ZHJDKVPQEPEKSO-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943891 1035114152 /nfs/dbraw/zinc/11/41/52/1035114152.db2.gz WFNMEPNXTONERI-FKBYEOEOSA-N 2 1 381.589 3.634 20 0 GHADMP C[C@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943247 1035114308 /nfs/dbraw/zinc/11/43/08/1035114308.db2.gz SLOYVMRRHBYOAG-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943247 1035114311 /nfs/dbraw/zinc/11/43/11/1035114311.db2.gz SLOYVMRRHBYOAG-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943247 1035114315 /nfs/dbraw/zinc/11/43/15/1035114315.db2.gz SLOYVMRRHBYOAG-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943247 1035114317 /nfs/dbraw/zinc/11/43/17/1035114317.db2.gz SLOYVMRRHBYOAG-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944901 1035115047 /nfs/dbraw/zinc/11/50/47/1035115047.db2.gz PKQNBRZEYUVZCN-REWPJTCUSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944901 1035115051 /nfs/dbraw/zinc/11/50/51/1035115051.db2.gz PKQNBRZEYUVZCN-REWPJTCUSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944901 1035115054 /nfs/dbraw/zinc/11/50/54/1035115054.db2.gz PKQNBRZEYUVZCN-REWPJTCUSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944901 1035115057 /nfs/dbraw/zinc/11/50/57/1035115057.db2.gz PKQNBRZEYUVZCN-REWPJTCUSA-N 2 1 378.516 3.671 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001208944619 1035115179 /nfs/dbraw/zinc/11/51/79/1035115179.db2.gz XZSYFVSGTLHJIA-AFXVXQJMSA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001208944619 1035115183 /nfs/dbraw/zinc/11/51/83/1035115183.db2.gz XZSYFVSGTLHJIA-AFXVXQJMSA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001208944619 1035115190 /nfs/dbraw/zinc/11/51/90/1035115190.db2.gz XZSYFVSGTLHJIA-AFXVXQJMSA-N 2 1 384.564 3.810 20 0 GHADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945566 1035115945 /nfs/dbraw/zinc/11/59/45/1035115945.db2.gz RBTSOGBNWFOMTD-FNAHDJPLSA-N 2 1 399.579 3.696 20 0 GHADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945566 1035115950 /nfs/dbraw/zinc/11/59/50/1035115950.db2.gz RBTSOGBNWFOMTD-FNAHDJPLSA-N 2 1 399.579 3.696 20 0 GHADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945566 1035115954 /nfs/dbraw/zinc/11/59/54/1035115954.db2.gz RBTSOGBNWFOMTD-FNAHDJPLSA-N 2 1 399.579 3.696 20 0 GHADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945566 1035115958 /nfs/dbraw/zinc/11/59/58/1035115958.db2.gz RBTSOGBNWFOMTD-FNAHDJPLSA-N 2 1 399.579 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208951218 1035122375 /nfs/dbraw/zinc/12/23/75/1035122375.db2.gz ZWIRYGWJSCZFGZ-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951218 1035122376 /nfs/dbraw/zinc/12/23/76/1035122376.db2.gz ZWIRYGWJSCZFGZ-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951218 1035122377 /nfs/dbraw/zinc/12/23/77/1035122377.db2.gz ZWIRYGWJSCZFGZ-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145989 1035123820 /nfs/dbraw/zinc/12/38/20/1035123820.db2.gz GAQRWZWJPOQLQO-BEFAXECRSA-N 2 1 379.520 3.765 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145989 1035123825 /nfs/dbraw/zinc/12/38/25/1035123825.db2.gz GAQRWZWJPOQLQO-BEFAXECRSA-N 2 1 379.520 3.765 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc(F)cc(C[NH+](C)C)c4)C3)CC2=O)c1 ZINC001232147486 1035125302 /nfs/dbraw/zinc/12/53/02/1035125302.db2.gz ANSNGHXUWYBEIP-XMMPIXPASA-N 2 1 395.522 3.825 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149651 1035127410 /nfs/dbraw/zinc/12/74/10/1035127410.db2.gz NPOGFUVTPIHHMH-XZOQPEGZSA-N 2 1 381.539 3.841 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001232149646 1035127503 /nfs/dbraw/zinc/12/75/03/1035127503.db2.gz NPOGFUVTPIHHMH-DHIUTWEWSA-N 2 1 381.539 3.841 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001209127478 1035185344 /nfs/dbraw/zinc/18/53/44/1035185344.db2.gz VLGPOUMEJHLRNG-KRWDZBQOSA-N 2 1 398.469 3.597 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001209127478 1035185346 /nfs/dbraw/zinc/18/53/46/1035185346.db2.gz VLGPOUMEJHLRNG-KRWDZBQOSA-N 2 1 398.469 3.597 20 0 GHADMP CN(CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001209139374 1035190264 /nfs/dbraw/zinc/19/02/64/1035190264.db2.gz XKMHRODPWSKQER-HSZRJFAPSA-N 2 1 387.568 3.841 20 0 GHADMP CN(CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001209139374 1035190271 /nfs/dbraw/zinc/19/02/71/1035190271.db2.gz XKMHRODPWSKQER-HSZRJFAPSA-N 2 1 387.568 3.841 20 0 GHADMP CN(CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001209139374 1035190275 /nfs/dbraw/zinc/19/02/75/1035190275.db2.gz XKMHRODPWSKQER-HSZRJFAPSA-N 2 1 387.568 3.841 20 0 GHADMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](CCc2ccc4c(c2)CCO4)CC3)c1 ZINC001209147783 1035193409 /nfs/dbraw/zinc/19/34/09/1035193409.db2.gz PUHCEWAGQNTPHR-UHFFFAOYSA-N 2 1 377.532 3.547 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCc1cccs1)CC2 ZINC001209223325 1035210741 /nfs/dbraw/zinc/21/07/41/1035210741.db2.gz WSZQQHMLNUILEM-HXUWFJFHSA-N 2 1 385.577 3.689 20 0 GHADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)C[C@H]([NH3+])c2cccc3ccccc32)C1 ZINC001161386211 1035219882 /nfs/dbraw/zinc/21/98/82/1035219882.db2.gz GXMGZVMFTSHNLD-NQIIRXRSSA-N 2 1 375.472 3.613 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C2)CC1 ZINC001209342323 1035246537 /nfs/dbraw/zinc/24/65/37/1035246537.db2.gz RYYLBQBNQIXILM-UHFFFAOYSA-N 2 1 397.560 3.576 20 0 GHADMP c1cc(C[NH+]2CCOCC2)cc(-c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)c1 ZINC001241818073 1035711295 /nfs/dbraw/zinc/71/12/95/1035711295.db2.gz LNPIVQQGKAOWJG-MZKRTTBSSA-N 2 1 388.515 3.875 20 0 GHADMP C[NH+]1CCN(C(=O)c2cccc(-c3ccccc3C[NH+]3CCCCC3)c2)CC1 ZINC001241879453 1035737208 /nfs/dbraw/zinc/73/72/08/1035737208.db2.gz WTYQNSAMJHGNCS-UHFFFAOYSA-N 2 1 377.532 3.727 20 0 GHADMP CC[NH+](CC)Cc1ccc(C)c(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC001241879799 1035740331 /nfs/dbraw/zinc/74/03/31/1035740331.db2.gz OCRWOAKOSCOJHY-UHFFFAOYSA-N 2 1 379.548 3.891 20 0 GHADMP CC(C)(C)[C@]1(CN2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462017560 1069948722 /nfs/dbraw/zinc/94/87/22/1069948722.db2.gz IBNDOQFPGPIZTO-NOZRDPDXSA-N 2 1 399.623 3.721 20 0 GHADMP C[NH+]1CCN(c2ccc(-c3noc([C@@H]([NH3+])CCCc4ccccc4)n3)cc2)CC1 ZINC001248452305 1035874919 /nfs/dbraw/zinc/87/49/19/1035874919.db2.gz HYCIJCKEQJQPQN-NRFANRHFSA-N 2 1 391.519 3.511 20 0 GHADMP Cc1ccc2c(CN3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)cccc2n1 ZINC001248565916 1035960519 /nfs/dbraw/zinc/96/05/19/1035960519.db2.gz XJXLSOLLCKWUQS-XUZZJYLKSA-N 2 1 379.548 3.866 20 0 GHADMP Cc1ccc2c(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)cccc2n1 ZINC001248565916 1035960523 /nfs/dbraw/zinc/96/05/23/1035960523.db2.gz XJXLSOLLCKWUQS-XUZZJYLKSA-N 2 1 379.548 3.866 20 0 GHADMP Cc1ccc2c(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)cccc2n1 ZINC001248565916 1035960527 /nfs/dbraw/zinc/96/05/27/1035960527.db2.gz XJXLSOLLCKWUQS-XUZZJYLKSA-N 2 1 379.548 3.866 20 0 GHADMP Cc1ccc2c(C[NH+]3C[C@@H]4C[N@H+](CC5CCCC5)CCO[C@@H]4C3)cccc2n1 ZINC001248565916 1035960531 /nfs/dbraw/zinc/96/05/31/1035960531.db2.gz XJXLSOLLCKWUQS-XUZZJYLKSA-N 2 1 379.548 3.866 20 0 GHADMP Cc1ccc2c(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)cccc2n1 ZINC001248565916 1035960540 /nfs/dbraw/zinc/96/05/40/1035960540.db2.gz XJXLSOLLCKWUQS-XUZZJYLKSA-N 2 1 379.548 3.866 20 0 GHADMP C[C@H](N[C@H](CC(N)=O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462056994 1069970401 /nfs/dbraw/zinc/97/04/01/1069970401.db2.gz AZGQXWAEKGEABD-DJPFJPOOSA-N 2 1 385.939 3.757 20 0 GHADMP CCOc1ccc(F)c(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c1Br ZINC001243250204 1036077247 /nfs/dbraw/zinc/07/72/47/1036077247.db2.gz CSAUAUQBDPOGPS-UHFFFAOYSA-N 2 1 390.256 3.988 20 0 GHADMP O=C(c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)c(Cl)c1)N1CCCC1 ZINC001243476081 1036161017 /nfs/dbraw/zinc/16/10/17/1036161017.db2.gz TVXMIONTZBJQLJ-UHFFFAOYSA-N 2 1 380.879 3.578 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5n4CCC5)CC3)C2)cc1 ZINC001248823112 1036184215 /nfs/dbraw/zinc/18/42/15/1036184215.db2.gz KMHGNMUWNGERKX-UHFFFAOYSA-N 2 1 379.548 3.610 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC001462078263 1069982566 /nfs/dbraw/zinc/98/25/66/1069982566.db2.gz BYJXTAJMZWLEPR-MLHJIOFPSA-N 2 1 386.527 3.986 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2cc(Br)ccc2Cl)no1 ZINC001248895526 1036227029 /nfs/dbraw/zinc/22/70/29/1036227029.db2.gz GNXJOWRNEAIQOG-ZDUSSCGKSA-N 2 1 385.693 3.542 20 0 GHADMP C[NH+](C)Cc1cccc(-c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c1F ZINC001244863591 1036688902 /nfs/dbraw/zinc/68/89/02/1036688902.db2.gz MDQQYJYQLAQLJQ-UHFFFAOYSA-N 2 1 376.479 3.903 20 0 GHADMP C[NH+](C)Cc1cccc(-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1F ZINC001244863591 1036688914 /nfs/dbraw/zinc/68/89/14/1036688914.db2.gz MDQQYJYQLAQLJQ-UHFFFAOYSA-N 2 1 376.479 3.903 20 0 GHADMP C[NH2+][C@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246011284 1037132169 /nfs/dbraw/zinc/13/21/69/1037132169.db2.gz UOOUEXOPMQMDST-GPMSIDNRSA-N 2 1 377.315 3.938 20 0 GHADMP C[C@@](O)(C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246023536 1037141494 /nfs/dbraw/zinc/14/14/94/1037141494.db2.gz CUVZDANIQFWQDX-DNQXCXABSA-N 2 1 394.559 3.698 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246056550 1037171237 /nfs/dbraw/zinc/17/12/37/1037171237.db2.gz UEVGBSPOHIIANJ-ACRUOGEOSA-N 2 1 386.511 3.646 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246066067 1037177286 /nfs/dbraw/zinc/17/72/86/1037177286.db2.gz YMKLWZPKRYTBAJ-CVDCTZTESA-N 2 1 394.575 3.974 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246066067 1037177304 /nfs/dbraw/zinc/17/73/04/1037177304.db2.gz YMKLWZPKRYTBAJ-CVDCTZTESA-N 2 1 394.575 3.974 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N[C@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246113426 1037197917 /nfs/dbraw/zinc/19/79/17/1037197917.db2.gz APIKIQFTLVPESG-CXSMSNRLSA-N 2 1 375.560 3.703 20 0 GHADMP C[C@H]1C[NH2+]C[C@H]1N[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246113506 1037198942 /nfs/dbraw/zinc/19/89/42/1037198942.db2.gz BRFVQBZASMPEGD-UYQMQTDJSA-N 2 1 389.587 3.949 20 0 GHADMP C[C@@H]1C[C@@H](N[C@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)C[C@H](C)[NH2+]1 ZINC001246136066 1037210430 /nfs/dbraw/zinc/21/04/30/1037210430.db2.gz ZOHASNOFDUJTBM-KRXQYRFLSA-N 2 1 392.385 3.634 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N[C@H]4[C@H]5C[NH2+]C[C@H]54)C[C@@H]23)cc1 ZINC001246148029 1037214366 /nfs/dbraw/zinc/21/43/66/1037214366.db2.gz ORLFKJWHZDQVBW-KTKTTYTDSA-N 2 1 387.571 3.559 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC001246180673 1037223685 /nfs/dbraw/zinc/22/36/85/1037223685.db2.gz QOXWRINNOQODCS-REWPJTCUSA-N 3 1 385.527 3.657 20 0 GHADMP Brc1ccc(C2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246186179 1037227264 /nfs/dbraw/zinc/22/72/64/1037227264.db2.gz XGSCRFXMTHNZKI-OALUTQOASA-N 2 1 392.385 3.540 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)cc1 ZINC001246191149 1037229746 /nfs/dbraw/zinc/22/97/46/1037229746.db2.gz KHGDXMMRTPRYJY-XXBNENTESA-N 2 1 398.547 3.847 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246273141 1037269217 /nfs/dbraw/zinc/26/92/17/1037269217.db2.gz SJZPLGLWMDKEDQ-WFXMLNOXSA-N 2 1 376.903 3.774 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH2+]CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246315053 1037292762 /nfs/dbraw/zinc/29/27/62/1037292762.db2.gz FVGGSDRLQYOREZ-RUMRUAAYSA-N 3 1 392.591 3.627 20 0 GHADMP C[C@@H]1C[C@@H](NCc2ccccc2N2CC[NH2+]CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246315053 1037292776 /nfs/dbraw/zinc/29/27/76/1037292776.db2.gz FVGGSDRLQYOREZ-RUMRUAAYSA-N 2 1 392.591 3.627 20 0 GHADMP C[C@@H]1C[C@@H](NCc2ccccc2N2CC[NH2+]CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246315053 1037292794 /nfs/dbraw/zinc/29/27/94/1037292794.db2.gz FVGGSDRLQYOREZ-RUMRUAAYSA-N 2 1 392.591 3.627 20 0 GHADMP CCc1ccc(C[N@H+](CCN)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001246352498 1037310710 /nfs/dbraw/zinc/31/07/10/1037310710.db2.gz RYOPIQUCKKRAMU-UHFFFAOYSA-N 2 1 399.966 3.968 20 0 GHADMP CCc1ccc(C[N@@H+](CCN)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001246352498 1037310726 /nfs/dbraw/zinc/31/07/26/1037310726.db2.gz RYOPIQUCKKRAMU-UHFFFAOYSA-N 2 1 399.966 3.968 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3F)C2)CC[NH2+]1 ZINC001246362450 1037321535 /nfs/dbraw/zinc/32/15/35/1037321535.db2.gz SSAYPZQHAASCJW-VIZSFHNOSA-N 2 1 385.502 3.930 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246374078 1037329866 /nfs/dbraw/zinc/32/98/66/1037329866.db2.gz JWHJMCHXDCVILT-GMAHTHKFSA-N 3 1 381.539 3.838 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(c3ccccc3OC)CC[NH2+]CC2)cc1 ZINC001246375703 1037331886 /nfs/dbraw/zinc/33/18/86/1037331886.db2.gz JHTCIVXKMHWPAV-GOSISDBHSA-N 2 1 396.531 3.671 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)C[NH2+]1 ZINC001246440608 1037401913 /nfs/dbraw/zinc/40/19/13/1037401913.db2.gz IQUBASPSXWTSDS-WBVHZDCISA-N 2 1 381.358 3.519 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246441459 1037403909 /nfs/dbraw/zinc/40/39/09/1037403909.db2.gz HMAYQBQAMGAEFX-QZHFEQFPSA-N 3 1 380.374 3.662 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246443333 1037406443 /nfs/dbraw/zinc/40/64/43/1037406443.db2.gz BOEYTVQIRFSRBD-LSDHHAIUSA-N 2 1 384.442 3.606 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001246453581 1037414035 /nfs/dbraw/zinc/41/40/35/1037414035.db2.gz XUSBRCMTBQKVTR-HNNXBMFYSA-N 2 1 386.458 3.994 20 0 GHADMP O=C([C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)N1CCCCC1 ZINC001246465325 1037417813 /nfs/dbraw/zinc/41/78/13/1037417813.db2.gz VRRAFEDPHJTFDT-FGZHOGPDSA-N 2 1 383.580 3.655 20 0 GHADMP NC1=CC=C(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)[NH2+]C1 ZINC001246497248 1037441757 /nfs/dbraw/zinc/44/17/57/1037441757.db2.gz XBYHXTGITZIEQD-BKFWDETESA-N 2 1 392.591 3.614 20 0 GHADMP NC1=CC=C(C2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4Cc3ccccc3)CC2)[NH2+]C1 ZINC001246497248 1037441769 /nfs/dbraw/zinc/44/17/69/1037441769.db2.gz XBYHXTGITZIEQD-BKFWDETESA-N 2 1 392.591 3.614 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001246541362 1037473571 /nfs/dbraw/zinc/47/35/71/1037473571.db2.gz GXMIVQIBQDVDQI-ZIPRAHGXSA-N 2 1 397.357 3.629 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC[NH2+]1 ZINC001246588285 1037492464 /nfs/dbraw/zinc/49/24/64/1037492464.db2.gz LAIQBUOULQUGHY-GMAHTHKFSA-N 3 1 381.539 3.920 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246610227 1037501228 /nfs/dbraw/zinc/50/12/28/1037501228.db2.gz LTFPRSYVHROINB-VEDCXYSMSA-N 2 1 376.928 3.521 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@]3(CC[NH2+]3)C2)CC1 ZINC001246610227 1037501246 /nfs/dbraw/zinc/50/12/46/1037501246.db2.gz LTFPRSYVHROINB-VEDCXYSMSA-N 2 1 376.928 3.521 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001246651690 1037526733 /nfs/dbraw/zinc/52/67/33/1037526733.db2.gz YJMXAXLBJSNVRQ-CKHPTIKVSA-N 2 1 376.928 3.521 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001246651690 1037526744 /nfs/dbraw/zinc/52/67/44/1037526744.db2.gz YJMXAXLBJSNVRQ-CKHPTIKVSA-N 2 1 376.928 3.521 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246654047 1037528531 /nfs/dbraw/zinc/52/85/31/1037528531.db2.gz GXYSFOTTYAEJBG-WHOFXGATSA-N 2 1 382.348 3.600 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246654047 1037528538 /nfs/dbraw/zinc/52/85/38/1037528538.db2.gz GXYSFOTTYAEJBG-WHOFXGATSA-N 2 1 382.348 3.600 20 0 GHADMP CC(C)[C@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC[NH2+]1 ZINC001246674092 1037541020 /nfs/dbraw/zinc/54/10/20/1037541020.db2.gz NLHYVSUKGSKSPI-BTHPGYMESA-N 2 1 382.527 3.574 20 0 GHADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001462198922 1070075633 /nfs/dbraw/zinc/07/56/33/1070075633.db2.gz MBIVJMOXEHFVDF-IHWFROFDSA-N 2 1 379.589 3.972 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)o1 ZINC001246711571 1037563719 /nfs/dbraw/zinc/56/37/19/1037563719.db2.gz YORYRCMASXLBHN-HIGZBPRKSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)o1 ZINC001246711571 1037563736 /nfs/dbraw/zinc/56/37/36/1037563736.db2.gz YORYRCMASXLBHN-HIGZBPRKSA-N 2 1 379.548 3.600 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)o1 ZINC001246711571 1037563750 /nfs/dbraw/zinc/56/37/50/1037563750.db2.gz YORYRCMASXLBHN-HIGZBPRKSA-N 2 1 379.548 3.600 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246710797 1037564721 /nfs/dbraw/zinc/56/47/21/1037564721.db2.gz RLTMTOHDFANAAK-QZNHQXDQSA-N 2 1 399.579 3.786 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1ccc(F)cc1 ZINC001246714676 1037568461 /nfs/dbraw/zinc/56/84/61/1037568461.db2.gz MBXOFNIVFKJACG-AKFKNWHVSA-N 2 1 393.506 3.748 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1ccc(F)cc1 ZINC001246714676 1037568474 /nfs/dbraw/zinc/56/84/74/1037568474.db2.gz MBXOFNIVFKJACG-AKFKNWHVSA-N 2 1 393.506 3.748 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+]([C@@H]2CCC[C@@]4(CC[NH2+]C4)C2)CC3)cc1 ZINC001246716751 1037569686 /nfs/dbraw/zinc/56/96/86/1037569686.db2.gz HBRGQUVWHNLJSE-AUSIDOKSSA-N 2 1 380.511 3.606 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@H](CC)[NH2+]1 ZINC001246722395 1037573670 /nfs/dbraw/zinc/57/36/70/1037573670.db2.gz NQFXQODGTXPDIA-XAPVIXHLSA-N 2 1 389.609 3.985 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)CC[NH2+]1 ZINC001246743949 1037584589 /nfs/dbraw/zinc/58/45/89/1037584589.db2.gz ZNBYXGKGBMJSLM-YPAWHYETSA-N 2 1 378.601 3.843 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756134 1037599380 /nfs/dbraw/zinc/59/93/80/1037599380.db2.gz MXMNKLNRTSFPLO-VJBWXMMDSA-N 2 1 389.559 3.521 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CC[NH2+]1 ZINC001246770800 1037612071 /nfs/dbraw/zinc/61/20/71/1037612071.db2.gz UTFLLNYOUURROH-VVSUKSJXSA-N 2 1 378.601 3.983 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC001246783527 1037623777 /nfs/dbraw/zinc/62/37/77/1037623777.db2.gz ZYNDTSUEOAEGMP-QPPBQGQZSA-N 2 1 397.538 3.624 20 0 GHADMP Clc1ccc(CO[C@@H]2CCC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)cc1 ZINC001246792616 1037633733 /nfs/dbraw/zinc/63/37/33/1037633733.db2.gz AQADRGUBUHBURA-NYLDSWQDSA-N 2 1 378.944 3.622 20 0 GHADMP Cc1cc(N2CC[NH+]([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)n(-c2ccccc2)n1 ZINC001246876227 1037688024 /nfs/dbraw/zinc/68/80/24/1037688024.db2.gz BDSIEUKXSAUIMV-QFIPXVFZSA-N 2 1 393.579 3.758 20 0 GHADMP COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246882922 1037699840 /nfs/dbraw/zinc/69/98/40/1037699840.db2.gz KANZSBSVAYXABI-SIKLNZKXSA-N 2 1 380.532 3.649 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246885286 1037701045 /nfs/dbraw/zinc/70/10/45/1037701045.db2.gz DLYHFWXCAZCZNR-ACDBMABISA-N 2 1 377.960 3.797 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246885286 1037701063 /nfs/dbraw/zinc/70/10/63/1037701063.db2.gz DLYHFWXCAZCZNR-ACDBMABISA-N 2 1 377.960 3.797 20 0 GHADMP Fc1ccc([C@H]2C[NH2+]CCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246888848 1037703513 /nfs/dbraw/zinc/70/35/13/1037703513.db2.gz VMHQIBSTQPPWEE-UEQSERJNSA-N 2 1 379.523 3.968 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246915832 1037722525 /nfs/dbraw/zinc/72/25/25/1037722525.db2.gz OUORKMCRQGCVEZ-HSZRJFAPSA-N 2 1 377.532 3.545 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246934417 1037737212 /nfs/dbraw/zinc/73/72/12/1037737212.db2.gz IIBZAGSOCZUERV-BTDURJGWSA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246934417 1037737225 /nfs/dbraw/zinc/73/72/25/1037737225.db2.gz IIBZAGSOCZUERV-BTDURJGWSA-N 2 1 388.527 3.892 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246942192 1037748376 /nfs/dbraw/zinc/74/83/76/1037748376.db2.gz XNXWLMNMJNTEPY-BYCMXARLSA-N 2 1 379.264 3.982 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246942192 1037748395 /nfs/dbraw/zinc/74/83/95/1037748395.db2.gz XNXWLMNMJNTEPY-BYCMXARLSA-N 2 1 379.264 3.982 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CC1 ZINC001246947696 1037751510 /nfs/dbraw/zinc/75/15/10/1037751510.db2.gz WXVRSMSVMVBBFK-UHFFFAOYSA-N 2 1 379.932 3.515 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3c(F)cccc3C2)c1 ZINC001246957728 1037772090 /nfs/dbraw/zinc/77/20/90/1037772090.db2.gz MRGSURKAMPSDSE-OAQYLSRUSA-N 2 1 396.506 3.724 20 0 GHADMP FC(F)(F)c1cc(O[C@H]2CCC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)ncn1 ZINC001246968170 1037791980 /nfs/dbraw/zinc/79/19/80/1037791980.db2.gz HBFDMVDYVIYXHS-INIZCTEOSA-N 2 1 398.473 3.651 20 0 GHADMP c1ccc(COc2cccc(N3CC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)c2)cc1 ZINC001246985740 1037811167 /nfs/dbraw/zinc/81/11/67/1037811167.db2.gz PTZULBLVGDPPFL-SGRGSNTQSA-N 2 1 377.532 3.671 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)nc(C)[nH+]1 ZINC001246992509 1037813998 /nfs/dbraw/zinc/81/39/98/1037813998.db2.gz MYCAKKASVLBEAU-IFMALSPDSA-N 3 1 397.542 3.593 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001247005605 1037829554 /nfs/dbraw/zinc/82/95/54/1037829554.db2.gz QAAXGABTNWJONB-SFHVURJKSA-N 2 1 378.516 3.541 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(C)n1 ZINC001232308810 1038062820 /nfs/dbraw/zinc/06/28/20/1038062820.db2.gz WFFKJXYVFMSOGI-HXUWFJFHSA-N 2 1 399.535 3.637 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)c1OC(C)C)C2 ZINC001232393657 1038178835 /nfs/dbraw/zinc/17/88/35/1038178835.db2.gz QYYABDXZLBWPRO-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1OC(C)C)C2 ZINC001232393657 1038178844 /nfs/dbraw/zinc/17/88/44/1038178844.db2.gz QYYABDXZLBWPRO-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C)c1OC(C)C)C2 ZINC001232393657 1038178852 /nfs/dbraw/zinc/17/88/52/1038178852.db2.gz QYYABDXZLBWPRO-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C)c1OC(C)C)C2 ZINC001232393657 1038178860 /nfs/dbraw/zinc/17/88/60/1038178860.db2.gz QYYABDXZLBWPRO-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C)c1OC(C)C)C2 ZINC001232393657 1038178868 /nfs/dbraw/zinc/17/88/68/1038178868.db2.gz QYYABDXZLBWPRO-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP C[NH2+]C1CCC(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CC1 ZINC001247715014 1038345095 /nfs/dbraw/zinc/34/50/95/1038345095.db2.gz UDWTZLHFUGIIQN-TYJKZOGGSA-N 2 1 381.455 3.853 20 0 GHADMP CNc1ccccc1C[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001232668574 1038466217 /nfs/dbraw/zinc/46/62/17/1038466217.db2.gz TYROCRRPOPRRRG-QFIPXVFZSA-N 2 1 394.563 3.626 20 0 GHADMP Fc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c(F)c1Cl ZINC001247909404 1038485381 /nfs/dbraw/zinc/48/53/81/1038485381.db2.gz KYIITQHKQZQSMH-UHFFFAOYSA-N 2 1 382.842 3.600 20 0 GHADMP Cc1c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cccc1C(F)(F)F ZINC001247909899 1038485673 /nfs/dbraw/zinc/48/56/73/1038485673.db2.gz UVBJVXXKKUPCOC-UHFFFAOYSA-N 2 1 394.441 3.995 20 0 GHADMP Cc1ccc(C(F)(F)F)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909960 1038485732 /nfs/dbraw/zinc/48/57/32/1038485732.db2.gz WTVLKSCWRRAXMF-UHFFFAOYSA-N 2 1 394.441 3.995 20 0 GHADMP COc1cc(Br)cc(OC)c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001232698858 1038501682 /nfs/dbraw/zinc/50/16/82/1038501682.db2.gz SLDLJJIGUXCRAW-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC001232705684 1038506207 /nfs/dbraw/zinc/50/62/07/1038506207.db2.gz QYACNEPTGDIEJK-UHFFFAOYSA-N 2 1 384.495 3.956 20 0 GHADMP COC(=O)c1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001232708575 1038507310 /nfs/dbraw/zinc/50/73/10/1038507310.db2.gz OUDHLXRTGZFXOW-PMACEKPBSA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c[nH]c21 ZINC001232710142 1038509121 /nfs/dbraw/zinc/50/91/21/1038509121.db2.gz NAPJDEQQXNOOGI-CALCHBBNSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c[nH]c21 ZINC001232710142 1038509123 /nfs/dbraw/zinc/50/91/23/1038509123.db2.gz NAPJDEQQXNOOGI-CALCHBBNSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cccc2c(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)c[nH]c21 ZINC001232710142 1038509126 /nfs/dbraw/zinc/50/91/26/1038509126.db2.gz NAPJDEQQXNOOGI-CALCHBBNSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cccc2c(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)c[nH]c21 ZINC001232710142 1038509129 /nfs/dbraw/zinc/50/91/29/1038509129.db2.gz NAPJDEQQXNOOGI-CALCHBBNSA-N 2 1 395.528 3.580 20 0 GHADMP Cc1c(Cl)nccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001232748506 1038532078 /nfs/dbraw/zinc/53/20/78/1038532078.db2.gz CGYLZLFKMUXDCQ-UHFFFAOYSA-N 2 1 375.900 3.503 20 0 GHADMP Cc1c(Cl)nccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001232748506 1038532088 /nfs/dbraw/zinc/53/20/88/1038532088.db2.gz CGYLZLFKMUXDCQ-UHFFFAOYSA-N 2 1 375.900 3.503 20 0 GHADMP Cc1c(Cl)nccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001232749561 1038532785 /nfs/dbraw/zinc/53/27/85/1038532785.db2.gz LODLBSRHEIZPFG-UHFFFAOYSA-N 2 1 391.968 3.972 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1F)CC2 ZINC001233051580 1038808655 /nfs/dbraw/zinc/80/86/55/1038808655.db2.gz VOTDEZFIHHXVLS-HXUWFJFHSA-N 2 1 384.495 3.787 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cnc(C)c(C)c1)CC2 ZINC001233158665 1038932235 /nfs/dbraw/zinc/93/22/35/1038932235.db2.gz LUJOJIFZBCGIMM-QHCPKHFHSA-N 2 1 394.563 3.597 20 0 GHADMP COc1cc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc(OCc2ccccc2)c1OC ZINC001233253515 1039018190 /nfs/dbraw/zinc/01/81/90/1039018190.db2.gz DPWPXIKCGRXFIQ-UHFFFAOYSA-N 2 1 396.531 3.810 20 0 GHADMP CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[C@@H](C)c1cc2ccccc2o1 ZINC001252923349 1039262050 /nfs/dbraw/zinc/26/20/50/1039262050.db2.gz LJEILWRWCWSRFA-ROUUACIJSA-N 2 1 388.556 3.797 20 0 GHADMP CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[C@@H](C)c1cc2ccccc2o1 ZINC001252923349 1039262069 /nfs/dbraw/zinc/26/20/69/1039262069.db2.gz LJEILWRWCWSRFA-ROUUACIJSA-N 2 1 388.556 3.797 20 0 GHADMP COc1cccc([C@@H]2CCC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252933170 1039272781 /nfs/dbraw/zinc/27/27/81/1039272781.db2.gz DYNRMCNVQRFMSZ-VWNXMTODSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@@H]2CCC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252933170 1039272790 /nfs/dbraw/zinc/27/27/90/1039272790.db2.gz DYNRMCNVQRFMSZ-VWNXMTODSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@@H]2CCC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933170 1039272803 /nfs/dbraw/zinc/27/28/03/1039272803.db2.gz DYNRMCNVQRFMSZ-VWNXMTODSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@@H]2CCC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933170 1039272818 /nfs/dbraw/zinc/27/28/18/1039272818.db2.gz DYNRMCNVQRFMSZ-VWNXMTODSA-N 2 1 380.532 3.512 20 0 GHADMP O[C@@]1(CNC2(c3ccc(C(F)(F)F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948811 1039291452 /nfs/dbraw/zinc/29/14/52/1039291452.db2.gz XUJRKCARAFTLJO-HXUWFJFHSA-N 2 1 390.449 3.921 20 0 GHADMP O[C@@]1(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CCN(Cc2ccccc2)C1 ZINC001252948811 1039291466 /nfs/dbraw/zinc/29/14/66/1039291466.db2.gz XUJRKCARAFTLJO-HXUWFJFHSA-N 2 1 390.449 3.921 20 0 GHADMP O[C@@]1(C[NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252952586 1039295237 /nfs/dbraw/zinc/29/52/37/1039295237.db2.gz HGRMPEDQHUXDBW-RUZDIDTESA-N 3 1 399.623 3.505 20 0 GHADMP O[C@@]1(C[NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252952586 1039295247 /nfs/dbraw/zinc/29/52/47/1039295247.db2.gz HGRMPEDQHUXDBW-RUZDIDTESA-N 3 1 399.623 3.505 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccc(Oc3ccccn3)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951571 1039295537 /nfs/dbraw/zinc/29/55/37/1039295537.db2.gz TZYXEMVHIGMMPX-XMMPIXPASA-N 2 1 389.499 3.601 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccc(Oc3ccccn3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951571 1039295549 /nfs/dbraw/zinc/29/55/49/1039295549.db2.gz TZYXEMVHIGMMPX-XMMPIXPASA-N 2 1 389.499 3.601 20 0 GHADMP C[C@@](O)(C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)c1ccccc1 ZINC001253102359 1039424973 /nfs/dbraw/zinc/42/49/73/1039424973.db2.gz ZVHHLTPRTYNIKF-JOCHJYFZSA-N 2 1 381.907 3.918 20 0 GHADMP O[C@H](C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360461 1039572030 /nfs/dbraw/zinc/57/20/30/1039572030.db2.gz GDGPERISXTVDPH-ZRCGQRJVSA-N 2 1 386.486 3.842 20 0 GHADMP O[C@H](C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360461 1039572048 /nfs/dbraw/zinc/57/20/48/1039572048.db2.gz GDGPERISXTVDPH-ZRCGQRJVSA-N 2 1 386.486 3.842 20 0 GHADMP O[C@H](C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)c1ccc(F)c(F)c1 ZINC001253360461 1039572065 /nfs/dbraw/zinc/57/20/65/1039572065.db2.gz GDGPERISXTVDPH-ZRCGQRJVSA-N 2 1 386.486 3.842 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)CN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253394242 1039597656 /nfs/dbraw/zinc/59/76/56/1039597656.db2.gz JMZCSLLXLKHJFO-BJKOFHAPSA-N 2 1 395.591 3.512 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1-n1ccnc1 ZINC001234075102 1039809734 /nfs/dbraw/zinc/80/97/34/1039809734.db2.gz GPRUVCXASSQGBO-QFIPXVFZSA-N 2 1 390.531 3.835 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001462406943 1070231672 /nfs/dbraw/zinc/23/16/72/1070231672.db2.gz DHYLYXHARYGJJR-QUCCMNQESA-N 2 1 397.604 3.645 20 0 GHADMP CN(c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1)c1ccccc1F ZINC001234242593 1039936978 /nfs/dbraw/zinc/93/69/78/1039936978.db2.gz VLTRSEHBUZHTCH-BJKOFHAPSA-N 2 1 396.554 3.804 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)CC[NH+](Cc2ccccc2)C1 ZINC001462450439 1070261446 /nfs/dbraw/zinc/26/14/46/1070261446.db2.gz IFKRIHWRQIDQKO-WIOPSUGQSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@H](CN3CCCC3=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001462450439 1070261453 /nfs/dbraw/zinc/26/14/53/1070261453.db2.gz IFKRIHWRQIDQKO-WIOPSUGQSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@H](CN3CCCC3=O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462450439 1070261466 /nfs/dbraw/zinc/26/14/66/1070261466.db2.gz IFKRIHWRQIDQKO-WIOPSUGQSA-N 2 1 397.607 3.869 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]C2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)CC1 ZINC001254499975 1040285346 /nfs/dbraw/zinc/28/53/46/1040285346.db2.gz QZVGSIZTIUWSCU-ZJOBEGKPSA-N 2 1 387.543 3.703 20 0 GHADMP COC(=O)C(C[NH2+][C@@H]1CCC[N@@H+](C)CC1)(Cc1ccccc1)Cc1ccccc1 ZINC001254510176 1040288002 /nfs/dbraw/zinc/28/80/02/1040288002.db2.gz SJEZHWNGPRKJCS-HSZRJFAPSA-N 2 1 394.559 3.705 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)CS2 ZINC001254690116 1040447256 /nfs/dbraw/zinc/44/72/56/1040447256.db2.gz BAYDIPSUIVWCOW-KBAYOESNSA-N 2 1 395.613 3.606 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023274 1040516837 /nfs/dbraw/zinc/51/68/37/1040516837.db2.gz UHGORHDPWXHXLX-DEOSSOPVSA-N 2 1 379.548 3.965 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023274 1040516857 /nfs/dbraw/zinc/51/68/57/1040516857.db2.gz UHGORHDPWXHXLX-DEOSSOPVSA-N 2 1 379.548 3.965 20 0 GHADMP FC(F)(F)Oc1cc(Br)ccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093837 1040582631 /nfs/dbraw/zinc/58/26/31/1040582631.db2.gz RHNMRMKHKIPIKQ-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP FC(F)(F)Oc1cc(Br)ccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093837 1040582645 /nfs/dbraw/zinc/58/26/45/1040582645.db2.gz RHNMRMKHKIPIKQ-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001235134611 1040630342 /nfs/dbraw/zinc/63/03/42/1040630342.db2.gz SZQFOAKKPSFREH-WOJBJXKFSA-N 2 1 385.552 3.758 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235155733 1040649637 /nfs/dbraw/zinc/64/96/37/1040649637.db2.gz DYOGYZNPEBEQBW-QGZVFWFLSA-N 2 1 385.321 3.951 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CC(=O)C[C@@H]3C1)CC2 ZINC001254948542 1040684526 /nfs/dbraw/zinc/68/45/26/1040684526.db2.gz NGMYCSMQOVLVJV-LNLFQRSKSA-N 2 1 388.577 3.561 20 0 GHADMP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001235200377 1040688177 /nfs/dbraw/zinc/68/81/77/1040688177.db2.gz LDVXQBBYVQVOBZ-XMMPIXPASA-N 2 1 380.532 3.551 20 0 GHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001235200377 1040688179 /nfs/dbraw/zinc/68/81/79/1040688179.db2.gz LDVXQBBYVQVOBZ-XMMPIXPASA-N 2 1 380.532 3.551 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)CC1 ZINC001235213990 1040695929 /nfs/dbraw/zinc/69/59/29/1040695929.db2.gz GCXOHPRHPZIUME-NRFANRHFSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001235213990 1040695937 /nfs/dbraw/zinc/69/59/37/1040695937.db2.gz GCXOHPRHPZIUME-NRFANRHFSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001235213990 1040695942 /nfs/dbraw/zinc/69/59/42/1040695942.db2.gz GCXOHPRHPZIUME-NRFANRHFSA-N 2 1 378.605 3.545 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001235216543 1040697941 /nfs/dbraw/zinc/69/79/41/1040697941.db2.gz QKBAPAZRNPIZBR-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235241121 1040722655 /nfs/dbraw/zinc/72/26/55/1040722655.db2.gz YLTLCOVSHIDPFW-GOSISDBHSA-N 2 1 396.373 3.985 20 0 GHADMP O=C1C[C@@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)CO1 ZINC001255068779 1040763147 /nfs/dbraw/zinc/76/31/47/1040763147.db2.gz CNHMLRLBUPLTHE-XJTUCQONSA-N 2 1 390.527 3.657 20 0 GHADMP O=C1C[C@@H]([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CO1 ZINC001255068779 1040763156 /nfs/dbraw/zinc/76/31/56/1040763156.db2.gz CNHMLRLBUPLTHE-XJTUCQONSA-N 2 1 390.527 3.657 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(C)cc1Cl)C2 ZINC001235320204 1040791108 /nfs/dbraw/zinc/79/11/08/1040791108.db2.gz JEDQIKGTRCJBDK-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccnc(C(C)(C)C)c1)C2 ZINC001235326323 1040796449 /nfs/dbraw/zinc/79/64/49/1040796449.db2.gz USZMVOCRBGXXTG-YADARESESA-N 2 1 399.579 3.524 20 0 GHADMP FC(F)(F)c1cc(Br)cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235341006 1040811170 /nfs/dbraw/zinc/81/11/70/1040811170.db2.gz XSFNPOYUZZSBIS-UHFFFAOYSA-N 2 1 377.248 3.899 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C)([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255122162 1040812201 /nfs/dbraw/zinc/81/22/01/1040812201.db2.gz LQSJSCGEGGACKP-OWZKRDHZSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C)([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255122162 1040812213 /nfs/dbraw/zinc/81/22/13/1040812213.db2.gz LQSJSCGEGGACKP-OWZKRDHZSA-N 2 1 385.552 3.781 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1 ZINC001255127842 1040820572 /nfs/dbraw/zinc/82/05/72/1040820572.db2.gz FCKLMCLTWGWKFO-DKUWSORSSA-N 2 1 378.520 3.593 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]1CC[NH2+]CC2 ZINC001235349540 1040823673 /nfs/dbraw/zinc/82/36/73/1040823673.db2.gz PUORJPMFXMVRPE-OFVILXPXSA-N 2 1 390.527 3.623 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255130209 1040824175 /nfs/dbraw/zinc/82/41/75/1040824175.db2.gz ASHSEMPYYDTGLL-NUNAXRQHSA-N 2 1 398.595 3.698 20 0 GHADMP c1ncn(C2CCOCC2)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255132472 1040827343 /nfs/dbraw/zinc/82/73/43/1040827343.db2.gz KMFCAXHSGWCCCM-MMVMTREESA-N 2 1 380.536 3.520 20 0 GHADMP c1ncn(C2CCOCC2)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132472 1040827355 /nfs/dbraw/zinc/82/73/55/1040827355.db2.gz KMFCAXHSGWCCCM-MMVMTREESA-N 2 1 380.536 3.520 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2(c4ccccn4)CCOCC2)C3)cc1 ZINC001255131755 1040829441 /nfs/dbraw/zinc/82/94/41/1040829441.db2.gz GBJBJOSCKQJOSD-NUNAXRQHSA-N 2 1 391.559 3.915 20 0 GHADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363714 1040849703 /nfs/dbraw/zinc/84/97/03/1040849703.db2.gz JQVUVXOEBQFCPM-DHLKQENFSA-N 2 1 387.527 3.997 20 0 GHADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235363714 1040849721 /nfs/dbraw/zinc/84/97/21/1040849721.db2.gz JQVUVXOEBQFCPM-DHLKQENFSA-N 2 1 387.527 3.997 20 0 GHADMP O=C([C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142871 1040854211 /nfs/dbraw/zinc/85/42/11/1040854211.db2.gz KGSPASQZPDALQN-XQUALCHDSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142871 1040854225 /nfs/dbraw/zinc/85/42/25/1040854225.db2.gz KGSPASQZPDALQN-XQUALCHDSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142871 1040854238 /nfs/dbraw/zinc/85/42/38/1040854238.db2.gz KGSPASQZPDALQN-XQUALCHDSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144183 1040854989 /nfs/dbraw/zinc/85/49/89/1040854989.db2.gz RCAYURASVNDNJK-MYDTUXCISA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144183 1040854999 /nfs/dbraw/zinc/85/49/99/1040854999.db2.gz RCAYURASVNDNJK-MYDTUXCISA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001255144183 1040855007 /nfs/dbraw/zinc/85/50/07/1040855007.db2.gz RCAYURASVNDNJK-MYDTUXCISA-N 2 1 381.564 3.516 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)c1 ZINC001255150084 1040867627 /nfs/dbraw/zinc/86/76/27/1040867627.db2.gz LNXYBTKUWBLMLK-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)c1 ZINC001255150084 1040867631 /nfs/dbraw/zinc/86/76/31/1040867631.db2.gz LNXYBTKUWBLMLK-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c1 ZINC001255150084 1040867638 /nfs/dbraw/zinc/86/76/38/1040867638.db2.gz LNXYBTKUWBLMLK-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c1 ZINC001255150084 1040867645 /nfs/dbraw/zinc/86/76/45/1040867645.db2.gz LNXYBTKUWBLMLK-GNXKAVGDSA-N 2 1 393.531 3.739 20 0 GHADMP CCN1CC2(CC1=O)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255150087 1040868417 /nfs/dbraw/zinc/86/84/17/1040868417.db2.gz LSAIFFRZLOABQC-KOUNCHBCSA-N 2 1 381.564 3.516 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235369095 1040868731 /nfs/dbraw/zinc/86/87/31/1040868731.db2.gz PHBPXLRBRWNKCS-LYOVBCGYSA-N 2 1 395.252 3.965 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(Cl)c1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235369095 1040868747 /nfs/dbraw/zinc/86/87/47/1040868747.db2.gz PHBPXLRBRWNKCS-LYOVBCGYSA-N 2 1 395.252 3.965 20 0 GHADMP Fc1cnc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255150056 1040868616 /nfs/dbraw/zinc/86/86/16/1040868616.db2.gz LEHDCNIVUGWIKE-AERCQKQUSA-N 2 1 396.510 3.655 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@H+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001235369377 1040869717 /nfs/dbraw/zinc/86/97/17/1040869717.db2.gz MGNWRWBUUJXTOX-QPPBQGQZSA-N 2 1 378.516 3.601 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001235369377 1040869730 /nfs/dbraw/zinc/86/97/30/1040869730.db2.gz MGNWRWBUUJXTOX-QPPBQGQZSA-N 2 1 378.516 3.601 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235371792 1040875841 /nfs/dbraw/zinc/87/58/41/1040875841.db2.gz SBPGKFTYLXEWGE-ZCYQVOJMSA-N 2 1 391.559 3.578 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377605 1040891802 /nfs/dbraw/zinc/89/18/02/1040891802.db2.gz WWYCUMDCJZNCDU-RUZDIDTESA-N 2 1 394.559 3.773 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377605 1040891807 /nfs/dbraw/zinc/89/18/07/1040891807.db2.gz WWYCUMDCJZNCDU-RUZDIDTESA-N 2 1 394.559 3.773 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377605 1040891834 /nfs/dbraw/zinc/89/18/34/1040891834.db2.gz WWYCUMDCJZNCDU-RUZDIDTESA-N 2 1 394.559 3.773 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(C)c1OCCO ZINC001235377605 1040891856 /nfs/dbraw/zinc/89/18/56/1040891856.db2.gz WWYCUMDCJZNCDU-RUZDIDTESA-N 2 1 394.559 3.773 20 0 GHADMP Brc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc2ccccc12 ZINC001235379720 1040899117 /nfs/dbraw/zinc/89/91/17/1040899117.db2.gz QHDKSWMWFHNFOQ-MBOZVWFJSA-N 2 1 387.321 3.555 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1OC(C)=O ZINC001235380225 1040900682 /nfs/dbraw/zinc/90/06/82/1040900682.db2.gz NGTDSIVCVNFKJX-QPPBQGQZSA-N 2 1 394.515 3.590 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1OC(C)=O ZINC001235380225 1040900685 /nfs/dbraw/zinc/90/06/85/1040900685.db2.gz NGTDSIVCVNFKJX-QPPBQGQZSA-N 2 1 394.515 3.590 20 0 GHADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c2)cc1 ZINC001235397996 1040912658 /nfs/dbraw/zinc/91/26/58/1040912658.db2.gz SCMFCJKQVYIJEV-SFTDATJTSA-N 2 1 382.479 3.649 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410115 1040921195 /nfs/dbraw/zinc/92/11/95/1040921195.db2.gz XTOCCJQZWYZFRJ-GGAORHGYSA-N 2 1 378.495 3.833 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410115 1040921200 /nfs/dbraw/zinc/92/12/00/1040921200.db2.gz XTOCCJQZWYZFRJ-GGAORHGYSA-N 2 1 378.495 3.833 20 0 GHADMP COc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC001235422438 1040925531 /nfs/dbraw/zinc/92/55/31/1040925531.db2.gz DCEFMSVMCGOHMU-UONOGXRCSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(OC)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Br ZINC001235426429 1040927715 /nfs/dbraw/zinc/92/77/15/1040927715.db2.gz KWKFEXPJKAEAED-GJZGRUSLSA-N 2 1 397.357 3.678 20 0 GHADMP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430334 1040930966 /nfs/dbraw/zinc/93/09/66/1040930966.db2.gz WUDMGXORZFIFQP-HOTGVXAUSA-N 2 1 381.358 3.978 20 0 GHADMP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235441420 1040939672 /nfs/dbraw/zinc/93/96/72/1040939672.db2.gz JXKSPAMHFVCVHV-JOCHJYFZSA-N 2 1 375.520 3.842 20 0 GHADMP Fc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1Cl ZINC001235494392 1040961132 /nfs/dbraw/zinc/96/11/32/1040961132.db2.gz CKGSUNWVMWKLHB-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255382835 1040974134 /nfs/dbraw/zinc/97/41/34/1040974134.db2.gz XIJVUEBQZZLTHQ-LJQANCHMSA-N 2 1 391.531 3.590 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255382835 1040974135 /nfs/dbraw/zinc/97/41/35/1040974135.db2.gz XIJVUEBQZZLTHQ-LJQANCHMSA-N 2 1 391.531 3.590 20 0 GHADMP c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C3)cc1 ZINC001235531131 1040977545 /nfs/dbraw/zinc/97/75/45/1040977545.db2.gz GLFIBUXQQRIADR-NOZRDPDXSA-N 2 1 391.559 3.635 20 0 GHADMP C[N@H+](Cc1ccco1)[C@@H]1CN(CCC[NH2+]C2CCCCC2)C[C@@H]2CCCO[C@H]12 ZINC001235531200 1040977575 /nfs/dbraw/zinc/97/75/75/1040977575.db2.gz HITVHCUYEWMMCU-PMOQBDJRSA-N 2 1 389.584 3.503 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CN(CCC[NH2+]C2CCCCC2)C[C@@H]2CCCO[C@H]12 ZINC001235531200 1040977583 /nfs/dbraw/zinc/97/75/83/1040977583.db2.gz HITVHCUYEWMMCU-PMOQBDJRSA-N 2 1 389.584 3.503 20 0 GHADMP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccc(N4CC[NH2+]CC4)c2)C3)cc1 ZINC001235533776 1040978757 /nfs/dbraw/zinc/97/87/57/1040978757.db2.gz VJVGGHPDDSTOCL-ZCYQVOJMSA-N 2 1 391.559 3.635 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccc4c(c2)CC[NH2+]C4)CCO3)c1 ZINC001235539530 1040980184 /nfs/dbraw/zinc/98/01/84/1040980184.db2.gz XBZXDYMSUDPZAX-VWLOTQADSA-N 2 1 391.559 3.512 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)CCO3)c1 ZINC001235539530 1040980192 /nfs/dbraw/zinc/98/01/92/1040980192.db2.gz XBZXDYMSUDPZAX-VWLOTQADSA-N 2 1 391.559 3.512 20 0 GHADMP COc1cccc(N2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255399258 1040985154 /nfs/dbraw/zinc/98/51/54/1040985154.db2.gz PQYPTFHURQDIJQ-JOCHJYFZSA-N 2 1 379.548 3.872 20 0 GHADMP COc1cccc(N2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255399258 1040985164 /nfs/dbraw/zinc/98/51/64/1040985164.db2.gz PQYPTFHURQDIJQ-JOCHJYFZSA-N 2 1 379.548 3.872 20 0 GHADMP c1ccn(-c2ccc(C[N@H+]3CCCn4cnc(C[NH2+]C5CCC5)c4C3)cc2)c1 ZINC001235559173 1040988334 /nfs/dbraw/zinc/98/83/34/1040988334.db2.gz XLNXIWZDTXMYTI-UHFFFAOYSA-N 2 1 375.520 3.722 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255408782 1040996312 /nfs/dbraw/zinc/99/63/12/1040996312.db2.gz BNLJHWOJFBUAGZ-OAQYLSRUSA-N 3 1 394.563 3.703 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255408782 1040996321 /nfs/dbraw/zinc/99/63/21/1040996321.db2.gz BNLJHWOJFBUAGZ-OAQYLSRUSA-N 2 1 394.563 3.703 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255408782 1040996329 /nfs/dbraw/zinc/99/63/29/1040996329.db2.gz BNLJHWOJFBUAGZ-OAQYLSRUSA-N 2 1 394.563 3.703 20 0 GHADMP COC(=O)c1ccc(C2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255410231 1040999746 /nfs/dbraw/zinc/99/97/46/1040999746.db2.gz RXPBOUXEOULPHQ-QHCPKHFHSA-N 2 1 378.516 3.927 20 0 GHADMP COC(=O)c1ccc(C2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255410231 1040999754 /nfs/dbraw/zinc/99/97/54/1040999754.db2.gz RXPBOUXEOULPHQ-QHCPKHFHSA-N 2 1 378.516 3.927 20 0 GHADMP Fc1cccc(CN2CC[C@@]23CCC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)c1 ZINC001235628865 1041060881 /nfs/dbraw/zinc/06/08/81/1041060881.db2.gz LZTQGECRCWGISG-XMMPIXPASA-N 2 1 379.523 3.712 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)cncc2Br)CC1 ZINC001235640213 1041073976 /nfs/dbraw/zinc/07/39/76/1041073976.db2.gz AHFJQLMTKYFXKC-UHFFFAOYSA-N 2 1 375.314 3.595 20 0 GHADMP CC(C)(C)C1CCC([N@H+]2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)CC1 ZINC001255502307 1041095558 /nfs/dbraw/zinc/09/55/58/1041095558.db2.gz CWTWJDDWIVVOFF-UHFFFAOYSA-N 2 1 386.584 3.650 20 0 GHADMP Cc1cc(N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c2ccccc2[nH+]1 ZINC001255597109 1041157306 /nfs/dbraw/zinc/15/73/06/1041157306.db2.gz ABQFQRCUQRWYQB-SFHVURJKSA-N 2 1 396.535 3.675 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1Br ZINC001235702434 1041182485 /nfs/dbraw/zinc/18/24/85/1041182485.db2.gz KKYAKPOPRWCSDO-UHFFFAOYSA-N 2 1 385.321 3.808 20 0 GHADMP COC(=O)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC001255671692 1041203928 /nfs/dbraw/zinc/20/39/28/1041203928.db2.gz QQHFKPPJSJGERH-HQSKLWIPSA-N 2 1 395.341 3.658 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235749134 1041236135 /nfs/dbraw/zinc/23/61/35/1041236135.db2.gz IARIGGQCHWXNKW-HXUWFJFHSA-N 2 1 378.545 3.896 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)c(Br)c1)C1CC[NH2+]CC1 ZINC001235759887 1041244904 /nfs/dbraw/zinc/24/49/04/1041244904.db2.gz DMTMWONHPVIGJT-UHFFFAOYSA-N 2 1 376.136 3.786 20 0 GHADMP Cc1nc(F)ccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001235807840 1041315316 /nfs/dbraw/zinc/31/53/16/1041315316.db2.gz UTUURBSPEZBJKV-GOSISDBHSA-N 2 1 389.540 3.846 20 0 GHADMP CC1(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]CC1 ZINC001235816661 1041332819 /nfs/dbraw/zinc/33/28/19/1041332819.db2.gz VTOOOWFHUGKSFR-UHFFFAOYSA-N 2 1 379.548 3.525 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cncn1Cc1ccccc1Br ZINC001255953516 1041434009 /nfs/dbraw/zinc/43/40/09/1041434009.db2.gz LCMMDCYGKMTYCS-INIZCTEOSA-N 2 1 393.373 3.904 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001255958741 1041436678 /nfs/dbraw/zinc/43/66/78/1041436678.db2.gz FQYSZBXRYHLPTC-LJQANCHMSA-N 2 1 398.599 3.629 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001255964454 1041444822 /nfs/dbraw/zinc/44/48/22/1041444822.db2.gz YHRINMUIXDXXCP-UYAOXDASSA-N 2 1 380.527 3.740 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001255964454 1041444830 /nfs/dbraw/zinc/44/48/30/1041444830.db2.gz YHRINMUIXDXXCP-UYAOXDASSA-N 2 1 380.527 3.740 20 0 GHADMP COCCC[N@H+](Cc1ccc(F)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235939690 1041445924 /nfs/dbraw/zinc/44/59/24/1041445924.db2.gz GRYNDUDPUHWVFS-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COCCC[N@@H+](Cc1ccc(F)cc1OCc1ccccc1)C1CC[NH2+]CC1 ZINC001235939690 1041445932 /nfs/dbraw/zinc/44/59/32/1041445932.db2.gz GRYNDUDPUHWVFS-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COCC[N@H+](Cc1ccc(-c2ncccc2C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001235942431 1041447849 /nfs/dbraw/zinc/44/78/49/1041447849.db2.gz DCWNHJTVEIHORI-UHFFFAOYSA-N 2 1 393.453 3.968 20 0 GHADMP COCC[N@@H+](Cc1ccc(-c2ncccc2C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC001235942431 1041447852 /nfs/dbraw/zinc/44/78/52/1041447852.db2.gz DCWNHJTVEIHORI-UHFFFAOYSA-N 2 1 393.453 3.968 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+]([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255969073 1041448954 /nfs/dbraw/zinc/44/89/54/1041448954.db2.gz SXDMANHIFVVQOI-LJQANCHMSA-N 2 1 389.584 3.790 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1N1CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC001235950340 1041454284 /nfs/dbraw/zinc/45/42/84/1041454284.db2.gz BFOCAURTLVFVCF-MRXNPFEDSA-N 2 1 380.374 3.871 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1N1CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC001235950340 1041454290 /nfs/dbraw/zinc/45/42/90/1041454290.db2.gz BFOCAURTLVFVCF-MRXNPFEDSA-N 2 1 380.374 3.871 20 0 GHADMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)nc1)Cc1ccccc1Oc1ccccc1 ZINC001235969363 1041473676 /nfs/dbraw/zinc/47/36/76/1041473676.db2.gz QHVCFQYUPCXSRE-UHFFFAOYSA-N 2 1 388.515 3.916 20 0 GHADMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)nc1)Cc1ccccc1Oc1ccccc1 ZINC001235969363 1041473696 /nfs/dbraw/zinc/47/36/96/1041473696.db2.gz QHVCFQYUPCXSRE-UHFFFAOYSA-N 2 1 388.515 3.916 20 0 GHADMP Cn1c2ccccc2c(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)c1-c1ccccc1 ZINC001236078089 1041524420 /nfs/dbraw/zinc/52/44/20/1041524420.db2.gz FTUNKCYWEYYSHY-OAQYLSRUSA-N 2 1 388.559 3.700 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)cc(C)c1-c1ccc(F)cc1F ZINC001236077616 1041524655 /nfs/dbraw/zinc/52/46/55/1041524655.db2.gz IXABTJSOHBXKGR-HXUWFJFHSA-N 2 1 385.502 3.856 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(c2ccc(F)cc2C)CC1 ZINC001236153654 1041575772 /nfs/dbraw/zinc/57/57/72/1041575772.db2.gz KWDDPOOIBDVEMT-UHFFFAOYSA-N 2 1 388.556 3.688 20 0 GHADMP COc1cccc(C[C@@H](C)[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001256159483 1041595184 /nfs/dbraw/zinc/59/51/84/1041595184.db2.gz AIDGIZUBEXHQTH-CTNGQTDRSA-N 2 1 398.547 3.975 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001236198277 1041615097 /nfs/dbraw/zinc/61/50/97/1041615097.db2.gz AOBTZWJUGKLRIX-QAQDUYKDSA-N 2 1 378.582 3.975 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3cccc(CN4CC[NH2+]CC4)c3)C2)c1 ZINC001236305452 1041666933 /nfs/dbraw/zinc/66/69/33/1041666933.db2.gz WFGDIMMMKGTOCB-XMMPIXPASA-N 2 1 393.575 3.555 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccccc2N2CCOCC2)CC2CC[NH2+]CC2)cc1 ZINC001236383091 1041691651 /nfs/dbraw/zinc/69/16/51/1041691651.db2.gz QVZNMVMWMSWHIW-UHFFFAOYSA-N 2 1 397.538 3.664 20 0 GHADMP COC(=O)c1cc(F)cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c1 ZINC001236385098 1041692196 /nfs/dbraw/zinc/69/21/96/1041692196.db2.gz ODOBRALPWVRVLV-UHFFFAOYSA-N 2 1 388.458 3.753 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001236400299 1041701763 /nfs/dbraw/zinc/70/17/63/1041701763.db2.gz BGMQWVHSHCRSQO-UAPYVXQJSA-N 2 1 376.516 3.749 20 0 GHADMP CCOc1ccc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1OC ZINC001236442120 1041713250 /nfs/dbraw/zinc/71/32/50/1041713250.db2.gz WIAIRAZAFYFVHJ-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP CCOc1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1OC ZINC001236442120 1041713255 /nfs/dbraw/zinc/71/32/55/1041713255.db2.gz WIAIRAZAFYFVHJ-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccccc2-n2cccn2)C2CC[NH2+]CC2)cc1 ZINC001236441794 1041713413 /nfs/dbraw/zinc/71/34/13/1041713413.db2.gz VFRPTYMQWQVREK-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccccc2-n2cccn2)C2CC[NH2+]CC2)cc1 ZINC001236441794 1041713420 /nfs/dbraw/zinc/71/34/20/1041713420.db2.gz VFRPTYMQWQVREK-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cccc3cccnc32)C2CC[NH2+]CC2)c1 ZINC001236466041 1041728539 /nfs/dbraw/zinc/72/85/39/1041728539.db2.gz WPMYLFBDSLCCGU-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cccc3cccnc32)C2CC[NH2+]CC2)c1 ZINC001236466041 1041728544 /nfs/dbraw/zinc/72/85/44/1041728544.db2.gz WPMYLFBDSLCCGU-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP Cc1cc(F)cc(C[N@@H+](CC2CCC3(CC2)OCCO3)C2CC[NH2+]CC2)c1 ZINC001236481079 1041734262 /nfs/dbraw/zinc/73/42/62/1041734262.db2.gz OPSGCMLPWUQIPR-UHFFFAOYSA-N 2 1 376.516 3.621 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542248 1041756348 /nfs/dbraw/zinc/75/63/48/1041756348.db2.gz BIPKEVUWTNSEGG-MEMLXQNLSA-N 2 1 382.504 3.754 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(OC)c(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543318 1041757489 /nfs/dbraw/zinc/75/74/89/1041757489.db2.gz PAASGFNSRVKDPB-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP CC(C)C[N@@H+](Cc1cc2c(cc1Br)OCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550670 1041758814 /nfs/dbraw/zinc/75/88/14/1041758814.db2.gz LPQAAHNPUJOGGM-SHTZXODSSA-N 2 1 383.330 3.906 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236601679 1041775754 /nfs/dbraw/zinc/77/57/54/1041775754.db2.gz OPPDYHRSVLNNSJ-CQSZACIVSA-N 2 1 389.927 3.962 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236601679 1041775756 /nfs/dbraw/zinc/77/57/56/1041775756.db2.gz OPPDYHRSVLNNSJ-CQSZACIVSA-N 2 1 389.927 3.962 20 0 GHADMP FC(F)(F)c1cccc(-n2cc(C[N@H+](C3CCC3)C3CC[NH2+]CC3)cn2)c1 ZINC001236636858 1041797581 /nfs/dbraw/zinc/79/75/81/1041797581.db2.gz KXNRNEITNBEBEB-UHFFFAOYSA-N 2 1 378.442 3.998 20 0 GHADMP FC(F)(F)c1cccc(-n2cc(C[N@@H+](C3CCC3)C3CC[NH2+]CC3)cn2)c1 ZINC001236636858 1041797587 /nfs/dbraw/zinc/79/75/87/1041797587.db2.gz KXNRNEITNBEBEB-UHFFFAOYSA-N 2 1 378.442 3.998 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccc(O)c(F)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710039 1041847165 /nfs/dbraw/zinc/84/71/65/1041847165.db2.gz KTEYQHCRKZBDGB-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc2[nH]c(C[N@H+](Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)nc2c1 ZINC001236713350 1041849945 /nfs/dbraw/zinc/84/99/45/1041849945.db2.gz AOBFCSXOHOWDQG-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc2[nH]c(C[N@@H+](Cc3ccccc3OC)[C@H]3CC[C@H]([NH3+])CC3)nc2c1 ZINC001236713350 1041849948 /nfs/dbraw/zinc/84/99/48/1041849948.db2.gz AOBFCSXOHOWDQG-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP Fc1cc(OC(F)F)ccc1CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001236717645 1041852992 /nfs/dbraw/zinc/85/29/92/1041852992.db2.gz HZPDPERNQSAEIQ-AEFFLSMTSA-N 2 1 391.437 3.776 20 0 GHADMP Fc1cc(OC(F)F)ccc1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001236717645 1041852999 /nfs/dbraw/zinc/85/29/99/1041852999.db2.gz HZPDPERNQSAEIQ-AEFFLSMTSA-N 2 1 391.437 3.776 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2c(Br)cnn2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726252 1041859697 /nfs/dbraw/zinc/85/96/97/1041859697.db2.gz JUSPPWKZAHDSCW-QAQDUYKDSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1cccc(C[N@H+](Cc2c(Br)cnn2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236726252 1041859699 /nfs/dbraw/zinc/85/96/99/1041859699.db2.gz JUSPPWKZAHDSCW-QAQDUYKDSA-N 2 1 391.357 3.763 20 0 GHADMP COC(=O)COc1ccccc1C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236729819 1041861153 /nfs/dbraw/zinc/86/11/53/1041861153.db2.gz WGWGWMRKZZTSSU-HZCBDIJESA-N 2 1 396.531 3.819 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236729063 1041861242 /nfs/dbraw/zinc/86/12/42/1041861242.db2.gz LDIGXOJHFUCBOD-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236743011 1041869603 /nfs/dbraw/zinc/86/96/03/1041869603.db2.gz VPVHAMVDLNBUCU-IYARVYRRSA-N 2 1 388.483 3.821 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc2c1OCO2 ZINC001236742768 1041870151 /nfs/dbraw/zinc/87/01/51/1041870151.db2.gz RKYGWIZFHKZGBR-WGSAOQKQSA-N 2 1 386.467 3.835 20 0 GHADMP COc1ccc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)n1 ZINC001236782425 1041889627 /nfs/dbraw/zinc/88/96/27/1041889627.db2.gz KFLYIITWMSBPAG-SHTZXODSSA-N 2 1 384.362 3.971 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@@H]12 ZINC001236832663 1041922242 /nfs/dbraw/zinc/92/22/42/1041922242.db2.gz WOZRVYQREDYIDX-KBAYOESNSA-N 2 1 377.410 3.816 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cccc(-n3cncn3)c1)CC2 ZINC001236880924 1041939096 /nfs/dbraw/zinc/93/90/96/1041939096.db2.gz QQDRKIJJDZLBGN-QFIPXVFZSA-N 2 1 391.519 3.737 20 0 GHADMP CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236968567 1041972941 /nfs/dbraw/zinc/97/29/41/1041972941.db2.gz TUGSKBRBRKBNKM-UHFFFAOYSA-N 2 1 385.527 3.651 20 0 GHADMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236968567 1041972947 /nfs/dbraw/zinc/97/29/47/1041972947.db2.gz TUGSKBRBRKBNKM-UHFFFAOYSA-N 2 1 385.527 3.651 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@@H+](CC3CC4(C3)CC[NH2+]CC4)C2)c1 ZINC001237182374 1042081763 /nfs/dbraw/zinc/08/17/63/1042081763.db2.gz XVIFCJOSCLOTBQ-GOSISDBHSA-N 2 1 379.342 3.682 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccccc1OCCO)CC2 ZINC001237196006 1042088099 /nfs/dbraw/zinc/08/80/99/1042088099.db2.gz ZBGFDHXYHQATBW-QFIPXVFZSA-N 2 1 384.520 3.527 20 0 GHADMP c1c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263290 1042112396 /nfs/dbraw/zinc/11/23/96/1042112396.db2.gz BZMMKSKLZDMMPJ-PMACEKPBSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263290 1042112403 /nfs/dbraw/zinc/11/24/03/1042112403.db2.gz BZMMKSKLZDMMPJ-PMACEKPBSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263290 1042112410 /nfs/dbraw/zinc/11/24/10/1042112410.db2.gz BZMMKSKLZDMMPJ-PMACEKPBSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264598 1042113371 /nfs/dbraw/zinc/11/33/71/1042113371.db2.gz JTOJEGLDJYCVCZ-RTWAWAEBSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264598 1042113375 /nfs/dbraw/zinc/11/33/75/1042113375.db2.gz JTOJEGLDJYCVCZ-RTWAWAEBSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)sc2c1CC[NH2+]C2 ZINC001237264598 1042113378 /nfs/dbraw/zinc/11/33/78/1042113378.db2.gz JTOJEGLDJYCVCZ-RTWAWAEBSA-N 3 1 381.589 3.738 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4Cc5ccccc5CN4)CC[C@@H]3C2)cc1 ZINC001237266597 1042114093 /nfs/dbraw/zinc/11/40/93/1042114093.db2.gz XUKKRFRGHWMUHK-DSITVLBTSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4Cc5ccccc5CN4)CC[C@@H]3C2)cc1 ZINC001237266597 1042114096 /nfs/dbraw/zinc/11/40/96/1042114096.db2.gz XUKKRFRGHWMUHK-DSITVLBTSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@@H]4Cc5ccccc5CN4)CC[C@@H]3C2)cc1 ZINC001237266597 1042114099 /nfs/dbraw/zinc/11/40/99/1042114099.db2.gz XUKKRFRGHWMUHK-DSITVLBTSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC[C@@H]3C2)cc1 ZINC001237266597 1042114100 /nfs/dbraw/zinc/11/41/00/1042114100.db2.gz XUKKRFRGHWMUHK-DSITVLBTSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3CN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC[C@@H]3C2)cc1 ZINC001237266597 1042114103 /nfs/dbraw/zinc/11/41/03/1042114103.db2.gz XUKKRFRGHWMUHK-DSITVLBTSA-N 2 1 375.560 3.545 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2C)CCC12C[NH2+]C2 ZINC001237431139 1042205572 /nfs/dbraw/zinc/20/55/72/1042205572.db2.gz OASMXAFFJFXQJF-QFIPXVFZSA-N 2 1 378.516 3.637 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001237483935 1042228743 /nfs/dbraw/zinc/22/87/43/1042228743.db2.gz WFAMLUSQOFDBJT-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001237483935 1042228749 /nfs/dbraw/zinc/22/87/49/1042228749.db2.gz WFAMLUSQOFDBJT-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001237483935 1042228754 /nfs/dbraw/zinc/22/87/54/1042228754.db2.gz WFAMLUSQOFDBJT-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001237485939 1042229456 /nfs/dbraw/zinc/22/94/56/1042229456.db2.gz RJCHMQMVHRDYCH-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001237485939 1042229461 /nfs/dbraw/zinc/22/94/61/1042229461.db2.gz RJCHMQMVHRDYCH-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001237485939 1042229465 /nfs/dbraw/zinc/22/94/65/1042229465.db2.gz RJCHMQMVHRDYCH-ZEQRLZLVSA-N 2 1 392.543 3.746 20 0 GHADMP Cc1ccnc2cccc(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)c12 ZINC001237625122 1042291932 /nfs/dbraw/zinc/29/19/32/1042291932.db2.gz RPIGIKGCFTZDBR-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccnc2cccc(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)c12 ZINC001237625122 1042291937 /nfs/dbraw/zinc/29/19/37/1042291937.db2.gz RPIGIKGCFTZDBR-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccnc2cccc(C[N@@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)c12 ZINC001237625122 1042291941 /nfs/dbraw/zinc/29/19/41/1042291941.db2.gz RPIGIKGCFTZDBR-ZJSXRUAMSA-N 2 1 379.548 3.724 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cnc(C3CC3)s1)CC2 ZINC001237786544 1042369406 /nfs/dbraw/zinc/36/94/06/1042369406.db2.gz OXWCYZHXMKBNJU-QGZVFWFLSA-N 2 1 387.549 3.869 20 0 GHADMP CCc1ncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC001237824166 1042387691 /nfs/dbraw/zinc/38/76/91/1042387691.db2.gz ONZANXGGMXERBZ-MRXNPFEDSA-N 2 1 375.538 3.554 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccsc1C)CC2 ZINC001237966806 1042440108 /nfs/dbraw/zinc/44/01/08/1042440108.db2.gz NOZVKGLNWJQXMS-OAQYLSRUSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(O)cc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001238092394 1042489683 /nfs/dbraw/zinc/48/96/83/1042489683.db2.gz KQCLOJSFEQBVII-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(O)cc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001238092394 1042489685 /nfs/dbraw/zinc/48/96/85/1042489685.db2.gz KQCLOJSFEQBVII-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(O)cc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001238092394 1042489690 /nfs/dbraw/zinc/48/96/90/1042489690.db2.gz KQCLOJSFEQBVII-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(O)cc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001238092394 1042489694 /nfs/dbraw/zinc/48/96/94/1042489694.db2.gz KQCLOJSFEQBVII-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)c(OCc2ccccc2)c1 ZINC001238344245 1042563406 /nfs/dbraw/zinc/56/34/06/1042563406.db2.gz UFZUBQGLQHNCIP-XZOQPEGZSA-N 2 1 397.538 3.615 20 0 GHADMP Cc1cc(-c2cccc3c2C[N@@H+](Cc2ccccc2)C3)cnc1N1CC[NH2+]CC1 ZINC001239735659 1042847932 /nfs/dbraw/zinc/84/79/32/1042847932.db2.gz JALWFIFHOPCYOI-UHFFFAOYSA-N 2 1 384.527 3.982 20 0 GHADMP COc1ccc(C[NH+]2CCN(C)CC2)cc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240061596 1042878522 /nfs/dbraw/zinc/87/85/22/1042878522.db2.gz JISJUFDWXXHIPK-UHFFFAOYSA-N 2 1 379.548 3.705 20 0 GHADMP CC[N@H+]1CCc2cc(-c3ccc(C4([NH+]5CCN(C)CC5)CC4)cc3)ccc2C1 ZINC001240582261 1042943143 /nfs/dbraw/zinc/94/31/43/1042943143.db2.gz IFWICRUSVBMGDC-UHFFFAOYSA-N 2 1 375.560 3.968 20 0 GHADMP CC[N@@H+]1CCc2cc(-c3ccc(C4(N5CC[NH+](C)CC5)CC4)cc3)ccc2C1 ZINC001240582261 1042943147 /nfs/dbraw/zinc/94/31/47/1042943147.db2.gz IFWICRUSVBMGDC-UHFFFAOYSA-N 2 1 375.560 3.968 20 0 GHADMP CC[N@H+]1CCc2cc(-c3ccc(C4(N5CC[NH+](C)CC5)CC4)cc3)ccc2C1 ZINC001240582261 1042943149 /nfs/dbraw/zinc/94/31/49/1042943149.db2.gz IFWICRUSVBMGDC-UHFFFAOYSA-N 2 1 375.560 3.968 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+](CC)CC ZINC001291563049 1043345516 /nfs/dbraw/zinc/34/55/16/1043345516.db2.gz MUFVTRSXHWYNRR-IBGZPJMESA-N 2 1 392.636 3.834 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)cc1 ZINC001291584986 1043350758 /nfs/dbraw/zinc/35/07/58/1043350758.db2.gz HTHVNJSQLCCMEG-KKSFZXQISA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)cc1 ZINC001291584986 1043350770 /nfs/dbraw/zinc/35/07/70/1043350770.db2.gz HTHVNJSQLCCMEG-KKSFZXQISA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)cc1 ZINC001291584986 1043350779 /nfs/dbraw/zinc/35/07/79/1043350779.db2.gz HTHVNJSQLCCMEG-KKSFZXQISA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)cc1 ZINC001291584986 1043350789 /nfs/dbraw/zinc/35/07/89/1043350789.db2.gz HTHVNJSQLCCMEG-KKSFZXQISA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)cc1 ZINC001291584986 1043350802 /nfs/dbraw/zinc/35/08/02/1043350802.db2.gz HTHVNJSQLCCMEG-KKSFZXQISA-N 2 1 381.524 3.803 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256525438 1043453059 /nfs/dbraw/zinc/45/30/59/1043453059.db2.gz ZJNDXJXUSIDRPH-VMXMFDLUSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256525438 1043453064 /nfs/dbraw/zinc/45/30/64/1043453064.db2.gz ZJNDXJXUSIDRPH-VMXMFDLUSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530641 1043461528 /nfs/dbraw/zinc/46/15/28/1043461528.db2.gz DBQAAVLHWJOSBD-DENIHFKCSA-N 2 1 385.596 3.709 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530641 1043461539 /nfs/dbraw/zinc/46/15/39/1043461539.db2.gz DBQAAVLHWJOSBD-DENIHFKCSA-N 2 1 385.596 3.709 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256532485 1043466372 /nfs/dbraw/zinc/46/63/72/1043466372.db2.gz IZYZICXPSNYZQM-KNQAVFIVSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3(C)COC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256532485 1043466378 /nfs/dbraw/zinc/46/63/78/1043466378.db2.gz IZYZICXPSNYZQM-KNQAVFIVSA-N 2 1 395.547 3.640 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256534606 1043469709 /nfs/dbraw/zinc/46/97/09/1043469709.db2.gz SRXQKNCRKUMURS-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256534606 1043469724 /nfs/dbraw/zinc/46/97/24/1043469724.db2.gz SRXQKNCRKUMURS-SIKLNZKXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536348 1043481804 /nfs/dbraw/zinc/48/18/04/1043481804.db2.gz DMSBOLLZBNKUTM-DHLKQENFSA-N 3 1 399.623 3.864 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536348 1043481809 /nfs/dbraw/zinc/48/18/09/1043481809.db2.gz DMSBOLLZBNKUTM-DHLKQENFSA-N 3 1 399.623 3.864 20 0 GHADMP CC[C@@H]1[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547842 1043510776 /nfs/dbraw/zinc/51/07/76/1043510776.db2.gz VVFAGWUQAJYJHS-CHLMOITFSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547842 1043510790 /nfs/dbraw/zinc/51/07/90/1043510790.db2.gz VVFAGWUQAJYJHS-CHLMOITFSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547842 1043510795 /nfs/dbraw/zinc/51/07/95/1043510795.db2.gz VVFAGWUQAJYJHS-CHLMOITFSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547842 1043510805 /nfs/dbraw/zinc/51/08/05/1043510805.db2.gz VVFAGWUQAJYJHS-CHLMOITFSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H](N(c2ccncc2F)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552696 1043517865 /nfs/dbraw/zinc/51/78/65/1043517865.db2.gz CHCYZGWUWDOHTC-NQIIRXRSSA-N 2 1 382.527 3.832 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)n1 ZINC001256556694 1043524656 /nfs/dbraw/zinc/52/46/56/1043524656.db2.gz INJPUMMEKCFRIA-WMZHIEFXSA-N 2 1 393.579 3.705 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)[nH+]1 ZINC001256556694 1043524664 /nfs/dbraw/zinc/52/46/64/1043524664.db2.gz INJPUMMEKCFRIA-WMZHIEFXSA-N 3 1 393.579 3.705 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc(C)[nH+]1 ZINC001256556694 1043524669 /nfs/dbraw/zinc/52/46/69/1043524669.db2.gz INJPUMMEKCFRIA-WMZHIEFXSA-N 3 1 393.579 3.705 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559024 1043532165 /nfs/dbraw/zinc/53/21/65/1043532165.db2.gz XSEYAMRIOPQZMP-GOUWZUTHSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559024 1043532176 /nfs/dbraw/zinc/53/21/76/1043532176.db2.gz XSEYAMRIOPQZMP-GOUWZUTHSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559024 1043532185 /nfs/dbraw/zinc/53/21/85/1043532185.db2.gz XSEYAMRIOPQZMP-GOUWZUTHSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559024 1043532195 /nfs/dbraw/zinc/53/21/95/1043532195.db2.gz XSEYAMRIOPQZMP-GOUWZUTHSA-N 2 1 392.543 3.928 20 0 GHADMP COC1CC[NH+](C2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)CC1 ZINC001256559297 1043533625 /nfs/dbraw/zinc/53/36/25/1043533625.db2.gz KMBAZLTUEFDYPG-NZQKXSOJSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1 ZINC001256569457 1043543070 /nfs/dbraw/zinc/54/30/70/1043543070.db2.gz GFRZECUKOUUEBR-PGRDOPGGSA-N 2 1 397.579 3.920 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001256573392 1043546739 /nfs/dbraw/zinc/54/67/39/1043546739.db2.gz OFKYTQDLPPKSNK-JOCHJYFZSA-N 2 1 389.609 3.939 20 0 GHADMP CC1([NH2+]C2CCN(Cc3ccncc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001256586607 1043556141 /nfs/dbraw/zinc/55/61/41/1043556141.db2.gz KJONOWSLGLCJCP-UHFFFAOYSA-N 2 1 378.564 3.690 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1)C1CCCC1 ZINC001256600269 1043564096 /nfs/dbraw/zinc/56/40/96/1043564096.db2.gz AVIREOIDVPRIDL-HZCBDIJESA-N 2 1 383.580 3.858 20 0 GHADMP COc1ccccc1C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC001256600541 1043564785 /nfs/dbraw/zinc/56/47/85/1043564785.db2.gz UOYUNPKWAASFMU-UHFFFAOYSA-N 2 1 394.559 3.998 20 0 GHADMP Fc1ccc(C[N@@H+]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001256608609 1043572317 /nfs/dbraw/zinc/57/23/17/1043572317.db2.gz FSLSXEHKFCODLR-UHFFFAOYSA-N 2 1 381.539 3.998 20 0 GHADMP Fc1ccc(C[N@H+]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001256608609 1043572327 /nfs/dbraw/zinc/57/23/27/1043572327.db2.gz FSLSXEHKFCODLR-UHFFFAOYSA-N 2 1 381.539 3.998 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256609731 1043573656 /nfs/dbraw/zinc/57/36/56/1043573656.db2.gz RNUUVSBRYHZYTG-VTYHHJSWSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256609731 1043573668 /nfs/dbraw/zinc/57/36/68/1043573668.db2.gz RNUUVSBRYHZYTG-VTYHHJSWSA-N 2 1 399.579 3.886 20 0 GHADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)cc2Cl)CC1 ZINC001292086351 1043588318 /nfs/dbraw/zinc/58/83/18/1043588318.db2.gz VCEUNMGOEGUKAU-PKOBYXMFSA-N 2 1 392.975 3.541 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CCC([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001256663733 1043605592 /nfs/dbraw/zinc/60/55/92/1043605592.db2.gz YKDHYTKSEQIRSN-UHFFFAOYSA-N 2 1 388.556 3.510 20 0 GHADMP CCCCCC[C@@](CC)([NH2+]C1CCC([NH+]2CCOCC2)CC1)C(=O)OCC ZINC001256686765 1043622279 /nfs/dbraw/zinc/62/22/79/1043622279.db2.gz DCJZHCRQFIRKRJ-QETWGEEDSA-N 2 1 382.589 3.902 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001256730848 1043639933 /nfs/dbraw/zinc/63/99/33/1043639933.db2.gz IGGCNCHAYFPRGG-ZPMCFJSWSA-N 2 1 381.520 3.571 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808112 1043664294 /nfs/dbraw/zinc/66/42/94/1043664294.db2.gz DSMDISNRPOJEQJ-MOUTVQLLSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808112 1043664300 /nfs/dbraw/zinc/66/43/00/1043664300.db2.gz DSMDISNRPOJEQJ-MOUTVQLLSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808112 1043664306 /nfs/dbraw/zinc/66/43/06/1043664306.db2.gz DSMDISNRPOJEQJ-MOUTVQLLSA-N 2 1 384.564 3.587 20 0 GHADMP c1cc(COC[C@@]23CCC[C@@H]2C[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)ccn1 ZINC001256858207 1043706220 /nfs/dbraw/zinc/70/62/20/1043706220.db2.gz CGQJPOFGENQNIA-QPPBQGQZSA-N 2 1 392.547 3.764 20 0 GHADMP C[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001256864665 1043709861 /nfs/dbraw/zinc/70/98/61/1043709861.db2.gz MPTYKHNEEADSSJ-UXHICEINSA-N 2 1 388.556 3.818 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC(n2c[nH+]cc2C2CC[NH2+]CC2)CC1 ZINC001256893255 1043725670 /nfs/dbraw/zinc/72/56/70/1043725670.db2.gz SOYKPUHZOAIJGN-UHFFFAOYSA-N 2 1 379.430 3.605 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3cccc(OC)c3)CC2)cc1 ZINC001257153152 1043901534 /nfs/dbraw/zinc/90/15/34/1043901534.db2.gz CSFYGKLCKRTAIF-SFHVURJKSA-N 2 1 396.531 3.753 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257153957 1043902711 /nfs/dbraw/zinc/90/27/11/1043902711.db2.gz NSULLJZWMDCVPO-SXSPYAJSSA-N 2 1 395.547 3.961 20 0 GHADMP CC(C)[NH+]1CCC(N2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001257219142 1043940233 /nfs/dbraw/zinc/94/02/33/1043940233.db2.gz ZIJVDSQNYHJVSG-FQEVSTJZSA-N 3 1 391.625 3.676 20 0 GHADMP CNC(=O)N[C@H]1CC2(CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c2cc(C)ccc21 ZINC001257220456 1043941206 /nfs/dbraw/zinc/94/12/06/1043941206.db2.gz PXDBGQVJTLNWTB-QFIPXVFZSA-N 2 1 398.595 3.575 20 0 GHADMP C[C@@H]1C[C@@H](N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257585761 1044070592 /nfs/dbraw/zinc/07/05/92/1044070592.db2.gz ALYASTWBQLRLIQ-IZZQQSIFSA-N 2 1 377.573 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001257818435 1044201039 /nfs/dbraw/zinc/20/10/39/1044201039.db2.gz GEUPDXJGUWNTLX-SIKLNZKXSA-N 2 1 377.573 3.726 20 0 GHADMP CCOC(=O)CC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001258036749 1044363014 /nfs/dbraw/zinc/36/30/14/1044363014.db2.gz CHWJTOYTNFLBDP-ACFFJPHRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001258036749 1044363027 /nfs/dbraw/zinc/36/30/27/1044363027.db2.gz CHWJTOYTNFLBDP-ACFFJPHRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001258036749 1044363037 /nfs/dbraw/zinc/36/30/37/1044363037.db2.gz CHWJTOYTNFLBDP-ACFFJPHRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001258127585 1044412927 /nfs/dbraw/zinc/41/29/27/1044412927.db2.gz TWTWRYYKBUIJDN-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001258127585 1044412934 /nfs/dbraw/zinc/41/29/34/1044412934.db2.gz TWTWRYYKBUIJDN-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001258127585 1044412956 /nfs/dbraw/zinc/41/29/56/1044412956.db2.gz TWTWRYYKBUIJDN-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001258127585 1044412961 /nfs/dbraw/zinc/41/29/61/1044412961.db2.gz TWTWRYYKBUIJDN-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001258127585 1044412968 /nfs/dbraw/zinc/41/29/68/1044412968.db2.gz TWTWRYYKBUIJDN-LGGPRVQUSA-N 2 1 387.568 3.736 20 0 GHADMP COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143655 1044429575 /nfs/dbraw/zinc/42/95/75/1044429575.db2.gz OKWCQRAVUIRRTQ-VWNXMTODSA-N 2 1 386.580 3.601 20 0 GHADMP COCC[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143655 1044429583 /nfs/dbraw/zinc/42/95/83/1044429583.db2.gz OKWCQRAVUIRRTQ-VWNXMTODSA-N 2 1 386.580 3.601 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH+]3CCC(COc4cccnc4)CC3)CC2)cc1 ZINC001258144688 1044431157 /nfs/dbraw/zinc/43/11/57/1044431157.db2.gz UJHDGRCPBDIITK-UHFFFAOYSA-N 2 1 379.548 3.880 20 0 GHADMP Clc1ccccc1N1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001258535653 1044614151 /nfs/dbraw/zinc/61/41/51/1044614151.db2.gz MYFOYANNDBEVLS-UHFFFAOYSA-N 2 1 399.966 3.931 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578063 1044653233 /nfs/dbraw/zinc/65/32/33/1044653233.db2.gz MCXDPPJEXOFYIS-NZQKXSOJSA-N 2 1 379.548 3.665 20 0 GHADMP CCC[NH+]1CCC([N@H+](CCCOC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258775273 1044759635 /nfs/dbraw/zinc/75/96/35/1044759635.db2.gz IEOXYBFWICFLIF-FQEVSTJZSA-N 2 1 397.604 3.599 20 0 GHADMP CCC[NH+]1CCC([N@@H+](CCCOC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258775273 1044759641 /nfs/dbraw/zinc/75/96/41/1044759641.db2.gz IEOXYBFWICFLIF-FQEVSTJZSA-N 2 1 397.604 3.599 20 0 GHADMP C[C@H]1CCC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001258823551 1044775077 /nfs/dbraw/zinc/77/50/77/1044775077.db2.gz LYYAAQIHBJXNNM-REWPJTCUSA-N 2 1 383.580 3.622 20 0 GHADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258849781 1044791371 /nfs/dbraw/zinc/79/13/71/1044791371.db2.gz UONZBZUYMZXGSN-TZRRMPRUSA-N 2 1 379.548 3.626 20 0 GHADMP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258849781 1044791383 /nfs/dbraw/zinc/79/13/83/1044791383.db2.gz UONZBZUYMZXGSN-TZRRMPRUSA-N 2 1 379.548 3.626 20 0 GHADMP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001258849781 1044791399 /nfs/dbraw/zinc/79/13/99/1044791399.db2.gz UONZBZUYMZXGSN-TZRRMPRUSA-N 2 1 379.548 3.626 20 0 GHADMP CC[NH+](CC)C1CCN(c2nnc(C)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001295464303 1045026909 /nfs/dbraw/zinc/02/69/09/1045026909.db2.gz ATPFJJGQIAGMTM-IBGZPJMESA-N 2 1 390.620 3.552 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001295962863 1045201237 /nfs/dbraw/zinc/20/12/37/1045201237.db2.gz MGJKIXURGWGUTG-VXKWHMMOSA-N 2 1 383.580 3.622 20 0 GHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)c2)CC1 ZINC001296726146 1045363825 /nfs/dbraw/zinc/36/38/25/1045363825.db2.gz YVHZEVDKFPQSPT-QFIPXVFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001297915146 1045656939 /nfs/dbraw/zinc/65/69/39/1045656939.db2.gz SIMFWFSJTZUSEY-LPHOPBHVSA-N 2 1 391.943 3.768 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]CC[C@H](C)[NH2+]C)cc1Br ZINC001261370641 1045982960 /nfs/dbraw/zinc/98/29/60/1045982960.db2.gz PIZWCNCEFRFOLH-JTQLQIEISA-N 2 1 394.151 3.698 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001302593847 1046994483 /nfs/dbraw/zinc/99/44/83/1046994483.db2.gz MITILSYBPWETCJ-DHIUTWEWSA-N 2 1 383.580 3.779 20 0 GHADMP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc(Cl)nc3)(C1)CCC2 ZINC001279180547 1047738618 /nfs/dbraw/zinc/73/86/18/1047738618.db2.gz KLJCXOBIVDOFIU-MSOLQXFVSA-N 2 1 377.945 3.620 20 0 GHADMP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cc(Br)ccc3F)(C1)CCC2 ZINC001279341695 1047774577 /nfs/dbraw/zinc/77/45/77/1047774577.db2.gz RNCANXFIPPYPMM-RBUKOAKNSA-N 2 1 398.364 3.674 20 0 GHADMP Cc1cc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)ccc1Br ZINC001279391708 1047791783 /nfs/dbraw/zinc/79/17/83/1047791783.db2.gz CIITZYXBKUYQSB-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3c(F)ccc(C)c3Cl)C[C@H]2CC1 ZINC001279446228 1047810817 /nfs/dbraw/zinc/81/08/17/1047810817.db2.gz ZHXFEKTWALNBFC-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3c(F)ccc(C)c3Cl)C[C@H]2CC1 ZINC001279446228 1047810823 /nfs/dbraw/zinc/81/08/23/1047810823.db2.gz ZHXFEKTWALNBFC-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3c(F)ccc(C)c3Cl)C[C@H]2CC1 ZINC001279446228 1047810831 /nfs/dbraw/zinc/81/08/31/1047810831.db2.gz ZHXFEKTWALNBFC-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1ccc(N)cc1Cl)CC2 ZINC001279497740 1047825558 /nfs/dbraw/zinc/82/55/58/1047825558.db2.gz VDZPUQUIVUVRLQ-UHFFFAOYSA-N 2 1 376.957 3.785 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3csc(Br)c3)(C1)CCC2 ZINC001279505555 1047827937 /nfs/dbraw/zinc/82/79/37/1047827937.db2.gz PYYUENWIPWAQOB-DLBZAZTESA-N 2 1 386.403 3.597 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3cccc(I)c3)CC2)C1 ZINC001279534172 1047834733 /nfs/dbraw/zinc/83/47/33/1047834733.db2.gz QKKZLWGPYDPXGD-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccc(I)c3)CC2)C1 ZINC001279534172 1047834739 /nfs/dbraw/zinc/83/47/39/1047834739.db2.gz QKKZLWGPYDPXGD-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279573978 1047844119 /nfs/dbraw/zinc/84/41/19/1047844119.db2.gz MLWTZBXATBHACK-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](CCc1c(Cl)ncnc1Cl)Cc1ccccc12 ZINC001279599799 1047862037 /nfs/dbraw/zinc/86/20/37/1047862037.db2.gz NCUJUHCZCGBCLJ-UHFFFAOYSA-N 2 1 391.346 3.805 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1c(Cl)ncnc1Cl)Cc1ccccc12 ZINC001279599799 1047862051 /nfs/dbraw/zinc/86/20/51/1047862051.db2.gz NCUJUHCZCGBCLJ-UHFFFAOYSA-N 2 1 391.346 3.805 20 0 GHADMP CCn1ccnc1C[N@H+]1CCCC2(CC[NH+](CC3CCSCC3)CC2)C1 ZINC001279645398 1047888200 /nfs/dbraw/zinc/88/82/00/1047888200.db2.gz RVLZFWPQWHOVKV-UHFFFAOYSA-N 2 1 376.614 3.724 20 0 GHADMP Clc1ccnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001279717385 1047933149 /nfs/dbraw/zinc/93/31/49/1047933149.db2.gz GFFXIEOWCFOSRF-UHFFFAOYSA-N 2 1 394.350 3.573 20 0 GHADMP Clc1ccnc(Cl)c1C[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279719040 1047934154 /nfs/dbraw/zinc/93/41/54/1047934154.db2.gz UUJUJHWVVAPODW-UHFFFAOYSA-N 2 1 394.350 3.990 20 0 GHADMP COc1cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)ccc1SC ZINC001279959649 1048013217 /nfs/dbraw/zinc/01/32/17/1048013217.db2.gz PHZCAYKVYKVTIY-RTWAWAEBSA-N 2 1 377.598 3.503 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001305504735 1048097943 /nfs/dbraw/zinc/09/79/43/1048097943.db2.gz KHHMXUNEGUBYCT-HXUWFJFHSA-N 2 1 390.620 3.588 20 0 GHADMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)CC1 ZINC001280310879 1048174241 /nfs/dbraw/zinc/17/42/41/1048174241.db2.gz PEPFLBMOUKQDLU-PXNSSMCTSA-N 2 1 396.000 3.604 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCC(C)(C)C2)c1 ZINC001463339960 1070995969 /nfs/dbraw/zinc/99/59/69/1070995969.db2.gz WTYRYDDPDBOBHX-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c1 ZINC001463339960 1070995977 /nfs/dbraw/zinc/99/59/77/1070995977.db2.gz WTYRYDDPDBOBHX-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c1 ZINC001463339960 1070995978 /nfs/dbraw/zinc/99/59/78/1070995978.db2.gz WTYRYDDPDBOBHX-UHFFFAOYSA-N 2 1 379.548 3.780 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001307420150 1049258537 /nfs/dbraw/zinc/25/85/37/1049258537.db2.gz HEDKYLCMFWAFSY-QHCPKHFHSA-N 2 1 380.532 3.735 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001307420150 1049258544 /nfs/dbraw/zinc/25/85/44/1049258544.db2.gz HEDKYLCMFWAFSY-QHCPKHFHSA-N 2 1 380.532 3.735 20 0 GHADMP COC(=O)C1(c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001307477375 1049314146 /nfs/dbraw/zinc/31/41/46/1049314146.db2.gz LDHHVOWRJYZQEQ-PZJWPPBQSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001307477375 1049314158 /nfs/dbraw/zinc/31/41/58/1049314158.db2.gz LDHHVOWRJYZQEQ-PZJWPPBQSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001307477375 1049314169 /nfs/dbraw/zinc/31/41/69/1049314169.db2.gz LDHHVOWRJYZQEQ-PZJWPPBQSA-N 2 1 384.564 3.978 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+]3CCC[C@@H](C[N@H+]4CCCC[C@@H]4C)C3)cc2)CC1 ZINC001307477375 1049314177 /nfs/dbraw/zinc/31/41/77/1049314177.db2.gz LDHHVOWRJYZQEQ-PZJWPPBQSA-N 2 1 384.564 3.978 20 0 GHADMP C[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001307508315 1049351453 /nfs/dbraw/zinc/35/14/53/1049351453.db2.gz SSZXKASWPVWSKI-RBBKRZOGSA-N 2 1 385.596 3.773 20 0 GHADMP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Cc2ccccc21 ZINC001307648754 1049475431 /nfs/dbraw/zinc/47/54/31/1049475431.db2.gz RKQPHYDGINVHIH-UHFFFAOYSA-N 2 1 391.559 3.692 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Cc2ccccc21 ZINC001307648754 1049475475 /nfs/dbraw/zinc/47/54/75/1049475475.db2.gz RKQPHYDGINVHIH-UHFFFAOYSA-N 2 1 391.559 3.692 20 0 GHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001307729915 1049542833 /nfs/dbraw/zinc/54/28/33/1049542833.db2.gz JTLVMYJHWYMNDC-PTUXOGIPSA-N 2 1 379.548 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954638 1049720912 /nfs/dbraw/zinc/72/09/12/1049720912.db2.gz MTROVESAZXDPKM-VXKWHMMOSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954638 1049720922 /nfs/dbraw/zinc/72/09/22/1049720922.db2.gz MTROVESAZXDPKM-VXKWHMMOSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954638 1049720928 /nfs/dbraw/zinc/72/09/28/1049720928.db2.gz MTROVESAZXDPKM-VXKWHMMOSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)CC1CC[NH+](C)CC1 ZINC001308027993 1049779161 /nfs/dbraw/zinc/77/91/61/1049779161.db2.gz NEORVPBHCFKBMG-UHFFFAOYSA-N 2 1 383.483 3.526 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CCCCC3)c2)CCO1 ZINC001308220297 1049917594 /nfs/dbraw/zinc/91/75/94/1049917594.db2.gz PSFMTJZLBCXFJA-LJQANCHMSA-N 2 1 396.579 3.978 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CCCCC3)c2)CCO1 ZINC001308220297 1049917597 /nfs/dbraw/zinc/91/75/97/1049917597.db2.gz PSFMTJZLBCXFJA-LJQANCHMSA-N 2 1 396.579 3.978 20 0 GHADMP CCCOc1cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OC ZINC001308243650 1049924190 /nfs/dbraw/zinc/92/41/90/1049924190.db2.gz BSJYHIZCCBIZAO-UHFFFAOYSA-N 2 1 397.563 3.521 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC001308247044 1049925383 /nfs/dbraw/zinc/92/53/83/1049925383.db2.gz PTDAJKFCYFZCAC-ILBGXUMGSA-N 2 1 394.559 3.899 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(F)c2OC(F)(F)F)C[C@H](C)O1 ZINC001308281227 1049935761 /nfs/dbraw/zinc/93/57/61/1049935761.db2.gz MNUYSADXSQRVJD-OKILXGFUSA-N 2 1 378.410 3.703 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(OC(F)F)cc3F)CC2)nc(C)[nH+]1 ZINC001308291724 1049940199 /nfs/dbraw/zinc/94/01/99/1049940199.db2.gz FHEYCTYQWXUPEN-UHFFFAOYSA-N 2 1 380.414 3.593 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001308344540 1049954040 /nfs/dbraw/zinc/95/40/40/1049954040.db2.gz NFPDGGJUVAMQHF-OAQYLSRUSA-N 2 1 384.568 3.501 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001308479303 1049985123 /nfs/dbraw/zinc/98/51/23/1049985123.db2.gz OZXBXCJOXOTXGT-UHFFFAOYSA-N 2 1 377.517 3.726 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601813 1050028269 /nfs/dbraw/zinc/02/82/69/1050028269.db2.gz XGCAEKLOYYLUEE-HUUCEWRRSA-N 2 1 381.483 3.638 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601813 1050028275 /nfs/dbraw/zinc/02/82/75/1050028275.db2.gz XGCAEKLOYYLUEE-HUUCEWRRSA-N 2 1 381.483 3.638 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601813 1050028279 /nfs/dbraw/zinc/02/82/79/1050028279.db2.gz XGCAEKLOYYLUEE-HUUCEWRRSA-N 2 1 381.483 3.638 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601813 1050028285 /nfs/dbraw/zinc/02/82/85/1050028285.db2.gz XGCAEKLOYYLUEE-HUUCEWRRSA-N 2 1 381.483 3.638 20 0 GHADMP CCOC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001308629154 1050039942 /nfs/dbraw/zinc/03/99/42/1050039942.db2.gz KTXNIOOUMDSKHN-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001308629154 1050039945 /nfs/dbraw/zinc/03/99/45/1050039945.db2.gz KTXNIOOUMDSKHN-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001308629154 1050039948 /nfs/dbraw/zinc/03/99/48/1050039948.db2.gz KTXNIOOUMDSKHN-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001308746900 1050079554 /nfs/dbraw/zinc/07/95/54/1050079554.db2.gz JUFNDPJTSKPFCD-MRXNPFEDSA-N 2 1 392.450 3.747 20 0 GHADMP c1nn(Cc2ccccc2)c2c1[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC001327681348 1050251913 /nfs/dbraw/zinc/25/19/13/1050251913.db2.gz YQQGNMISWQGOOH-JTHBVZDNSA-N 2 1 394.563 3.542 20 0 GHADMP C[N@@H+](CCCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC001328204998 1050440880 /nfs/dbraw/zinc/44/08/80/1050440880.db2.gz WGXNYZWPMOVGPA-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+](CCCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC001328204998 1050440884 /nfs/dbraw/zinc/44/08/84/1050440884.db2.gz WGXNYZWPMOVGPA-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+](CCCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001328204998 1050440886 /nfs/dbraw/zinc/44/08/86/1050440886.db2.gz WGXNYZWPMOVGPA-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP Fc1ccc(OCc2nc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)cc1 ZINC001329491843 1050819914 /nfs/dbraw/zinc/81/99/14/1050819914.db2.gz XHNOPHOFVBGGJI-UHFFFAOYSA-N 2 1 375.513 3.827 20 0 GHADMP Fc1ccc(OCc2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)cc1 ZINC001329491843 1050819918 /nfs/dbraw/zinc/81/99/18/1050819918.db2.gz XHNOPHOFVBGGJI-UHFFFAOYSA-N 2 1 375.513 3.827 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001330565991 1051029305 /nfs/dbraw/zinc/02/93/05/1051029305.db2.gz NGZRFTJSZOMIHD-LQCXBHPOSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001330565991 1051029313 /nfs/dbraw/zinc/02/93/13/1051029313.db2.gz NGZRFTJSZOMIHD-LQCXBHPOSA-N 2 1 398.595 3.744 20 0 GHADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)C1CCC(CO)CC1)C1CCC(CO)CC1 ZINC001331350318 1051258473 /nfs/dbraw/zinc/25/84/73/1051258473.db2.gz NZJGZWGBQKCDHE-UHFFFAOYSA-N 2 1 398.708 3.661 20 0 GHADMP C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC001332576194 1051545216 /nfs/dbraw/zinc/54/52/16/1051545216.db2.gz VLASXOFKZDQKGF-UHFFFAOYSA-N 2 1 396.579 3.596 20 0 GHADMP C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC001332576194 1051545235 /nfs/dbraw/zinc/54/52/35/1051545235.db2.gz VLASXOFKZDQKGF-UHFFFAOYSA-N 2 1 396.579 3.596 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001311351607 1052049866 /nfs/dbraw/zinc/04/98/66/1052049866.db2.gz MZMJRHKFDKIIOE-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC001335354217 1052082535 /nfs/dbraw/zinc/08/25/35/1052082535.db2.gz YBJKQAHSLUTPQT-UHFFFAOYSA-N 2 1 399.535 3.533 20 0 GHADMP C[C@H](CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)[NH+]1CCCC[C@@H]1C ZINC001311395122 1052088663 /nfs/dbraw/zinc/08/86/63/1052088663.db2.gz IQJDIGOPDOVMPW-VQTJNVASSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1)[N@@H+]1CCCC[C@@H]1C ZINC001311395122 1052088682 /nfs/dbraw/zinc/08/86/82/1052088682.db2.gz IQJDIGOPDOVMPW-VQTJNVASSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NCC1([NH+](C)Cc2ccccc2)CCC1)[N@H+]1CCCC[C@@H]1C ZINC001311395122 1052088699 /nfs/dbraw/zinc/08/86/99/1052088699.db2.gz IQJDIGOPDOVMPW-VQTJNVASSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCCC[C@H]1C ZINC001311396706 1052090305 /nfs/dbraw/zinc/09/03/05/1052090305.db2.gz ORFFVHOJSNFTRH-NJYVYQBISA-N 2 1 392.632 3.935 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@@H+]1CCCC[C@H]1C ZINC001311396706 1052090314 /nfs/dbraw/zinc/09/03/14/1052090314.db2.gz ORFFVHOJSNFTRH-NJYVYQBISA-N 2 1 392.632 3.935 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@H+]1CCCC[C@H]1C ZINC001311396706 1052090323 /nfs/dbraw/zinc/09/03/23/1052090323.db2.gz ORFFVHOJSNFTRH-NJYVYQBISA-N 2 1 392.632 3.935 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)cc1 ZINC001311492663 1052199924 /nfs/dbraw/zinc/19/99/24/1052199924.db2.gz DDMNMCWIYSFSFX-UXHICEINSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC001311492663 1052199931 /nfs/dbraw/zinc/19/99/31/1052199931.db2.gz DDMNMCWIYSFSFX-UXHICEINSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC001311492663 1052199937 /nfs/dbraw/zinc/19/99/37/1052199937.db2.gz DDMNMCWIYSFSFX-UXHICEINSA-N 2 1 398.595 3.687 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C1 ZINC001311887589 1052458608 /nfs/dbraw/zinc/45/86/08/1052458608.db2.gz OWSZBDBSDDEZGQ-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001311887589 1052458614 /nfs/dbraw/zinc/45/86/14/1052458614.db2.gz OWSZBDBSDDEZGQ-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001311887589 1052458621 /nfs/dbraw/zinc/45/86/21/1052458621.db2.gz OWSZBDBSDDEZGQ-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2CC)CC1)CC(C)C ZINC001311951795 1052496231 /nfs/dbraw/zinc/49/62/31/1052496231.db2.gz MSKMQOXMXFQVMS-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1)CC(C)C ZINC001311951795 1052496239 /nfs/dbraw/zinc/49/62/39/1052496239.db2.gz MSKMQOXMXFQVMS-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1)CC(C)C ZINC001311951795 1052496246 /nfs/dbraw/zinc/49/62/46/1052496246.db2.gz MSKMQOXMXFQVMS-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001311953202 1052497534 /nfs/dbraw/zinc/49/75/34/1052497534.db2.gz KKCZLKFBJPMMTM-QUCCMNQESA-N 2 1 380.621 3.697 20 0 GHADMP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC001312481243 1052760699 /nfs/dbraw/zinc/76/06/99/1052760699.db2.gz VWQLZVDAVQALIR-UGSOOPFHSA-N 2 1 399.366 3.546 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001312931932 1052914538 /nfs/dbraw/zinc/91/45/38/1052914538.db2.gz GBFGNDVBLDJDBS-WOJBJXKFSA-N 2 1 392.613 3.618 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC001313004817 1052931722 /nfs/dbraw/zinc/93/17/22/1052931722.db2.gz WYUHCZNVBUWAMB-CTAFRAEOSA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001313004817 1052931723 /nfs/dbraw/zinc/93/17/23/1052931723.db2.gz WYUHCZNVBUWAMB-CTAFRAEOSA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001313004817 1052931726 /nfs/dbraw/zinc/93/17/26/1052931726.db2.gz WYUHCZNVBUWAMB-CTAFRAEOSA-N 2 1 386.584 3.552 20 0 GHADMP Cc1ccc(NCCNC(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)[nH+]c1 ZINC001313137324 1052966635 /nfs/dbraw/zinc/96/66/35/1052966635.db2.gz CNOOVLZIJOLNDH-NRFANRHFSA-N 2 1 395.551 3.546 20 0 GHADMP Cc1ccc(NCCNC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)[nH+]c1 ZINC001313137324 1052966639 /nfs/dbraw/zinc/96/66/39/1052966639.db2.gz CNOOVLZIJOLNDH-NRFANRHFSA-N 2 1 395.551 3.546 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001313139742 1052967938 /nfs/dbraw/zinc/96/79/38/1052967938.db2.gz RZYUNUWLMJMFBT-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001313305003 1053013603 /nfs/dbraw/zinc/01/36/03/1053013603.db2.gz GQTJDOYRWDKKHZ-INVBSJAUSA-N 2 1 398.595 3.872 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001343420618 1053761559 /nfs/dbraw/zinc/76/15/59/1053761559.db2.gz KBCJUZTWCRCBCA-BAGYTPMASA-N 2 1 383.580 3.716 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318370949 1054593313 /nfs/dbraw/zinc/59/33/13/1054593313.db2.gz ZDZLKTFGPWAPBR-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318370949 1054593322 /nfs/dbraw/zinc/59/33/22/1054593322.db2.gz ZDZLKTFGPWAPBR-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318449556 1054646787 /nfs/dbraw/zinc/64/67/87/1054646787.db2.gz BMZIWMMACYEIBA-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1cccnc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318449556 1054646793 /nfs/dbraw/zinc/64/67/93/1054646793.db2.gz BMZIWMMACYEIBA-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP CC1(C)CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC(C)(C)[NH2+]1 ZINC001345213038 1054943255 /nfs/dbraw/zinc/94/32/55/1054943255.db2.gz PKMYEOFLGMSAHY-UHFFFAOYSA-N 2 1 390.597 3.620 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001345808808 1055270066 /nfs/dbraw/zinc/27/00/66/1055270066.db2.gz NAUPXVSIUJDKMM-YSIASYRMSA-N 2 1 381.524 3.517 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC001345808808 1055270077 /nfs/dbraw/zinc/27/00/77/1055270077.db2.gz NAUPXVSIUJDKMM-YSIASYRMSA-N 2 1 381.524 3.517 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001319888957 1055523905 /nfs/dbraw/zinc/52/39/05/1055523905.db2.gz JDNJMTRUSARBAG-DOTOQJQBSA-N 2 1 398.954 3.598 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC001319903717 1055532747 /nfs/dbraw/zinc/53/27/47/1055532747.db2.gz CBKXBGJQVSJUFV-MNEFBYGVSA-N 2 1 381.358 3.991 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)C1 ZINC001319903717 1055532760 /nfs/dbraw/zinc/53/27/60/1055532760.db2.gz CBKXBGJQVSJUFV-MNEFBYGVSA-N 2 1 381.358 3.991 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001320090796 1055650020 /nfs/dbraw/zinc/65/00/20/1055650020.db2.gz QARFLEZVPAATQP-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001320090796 1055650023 /nfs/dbraw/zinc/65/00/23/1055650023.db2.gz QARFLEZVPAATQP-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001320176867 1055691817 /nfs/dbraw/zinc/69/18/17/1055691817.db2.gz NLLJMHVGWUMJDO-VXKWHMMOSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccc(F)cc1 ZINC001320176867 1055691829 /nfs/dbraw/zinc/69/18/29/1055691829.db2.gz NLLJMHVGWUMJDO-VXKWHMMOSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001320908716 1056010708 /nfs/dbraw/zinc/01/07/08/1056010708.db2.gz SHBITXRKAAMEEQ-GOTSBHOMSA-N 2 1 395.522 3.987 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001320908716 1056010718 /nfs/dbraw/zinc/01/07/18/1056010718.db2.gz SHBITXRKAAMEEQ-GOTSBHOMSA-N 2 1 395.522 3.987 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001321581678 1056327924 /nfs/dbraw/zinc/32/79/24/1056327924.db2.gz WLDGHZAREOVPIP-UHFFFAOYSA-N 2 1 383.540 3.753 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1CC[C@H](c2ccccc2)C1=O ZINC001323531459 1056981772 /nfs/dbraw/zinc/98/17/72/1056981772.db2.gz YHIMCVNYKCWVDO-HSZRJFAPSA-N 2 1 392.547 3.594 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC001355311661 1057115773 /nfs/dbraw/zinc/11/57/73/1057115773.db2.gz UJRFWQXFIKAWJM-XUZZJYLKSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001355311661 1057115777 /nfs/dbraw/zinc/11/57/77/1057115777.db2.gz UJRFWQXFIKAWJM-XUZZJYLKSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001355311661 1057115782 /nfs/dbraw/zinc/11/57/82/1057115782.db2.gz UJRFWQXFIKAWJM-XUZZJYLKSA-N 2 1 393.575 3.925 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000849058804 1057569991 /nfs/dbraw/zinc/56/99/91/1057569991.db2.gz UKZPIELSRJYCBX-GOSISDBHSA-N 2 1 380.536 3.741 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001441348428 1058756441 /nfs/dbraw/zinc/75/64/41/1058756441.db2.gz AHFFKXSXIOPMMM-AUSIDOKSSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001441348428 1058756453 /nfs/dbraw/zinc/75/64/53/1058756453.db2.gz AHFFKXSXIOPMMM-AUSIDOKSSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001441348428 1058756472 /nfs/dbraw/zinc/75/64/72/1058756472.db2.gz AHFFKXSXIOPMMM-AUSIDOKSSA-N 2 1 383.580 3.942 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c2c(cccc2Cl)c1C ZINC001442928046 1059029423 /nfs/dbraw/zinc/02/94/23/1059029423.db2.gz WVDIFXWOTGDBSF-INIZCTEOSA-N 2 1 390.959 3.618 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001444127939 1059268552 /nfs/dbraw/zinc/26/85/52/1059268552.db2.gz FFERUZSZIQNIMO-NZSAHSFTSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc([C@H]3CCCC[NH2+]3)n2C)C1 ZINC001340061680 1059660330 /nfs/dbraw/zinc/66/03/30/1059660330.db2.gz JAWFOZBNPDVSNO-HSALFYBXSA-N 2 1 386.584 3.566 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)[C@H]1c1cccs1 ZINC001340106381 1059701967 /nfs/dbraw/zinc/70/19/67/1059701967.db2.gz SVONPHUTHNBTKF-HBFSDRIKSA-N 2 1 389.609 3.807 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001340221766 1059774312 /nfs/dbraw/zinc/77/43/12/1059774312.db2.gz FPLMNDYBTGKAMG-YADHBBJMSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001453210116 1061094815 /nfs/dbraw/zinc/09/48/15/1061094815.db2.gz JRHNGCYFWDXJAA-INIZCTEOSA-N 2 1 385.577 3.516 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC001453210116 1061094839 /nfs/dbraw/zinc/09/48/39/1061094839.db2.gz JRHNGCYFWDXJAA-INIZCTEOSA-N 2 1 385.577 3.516 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(N4CCC(C[NH+](C)C)CC4)cc3)C[N@H+]2C1 ZINC001346034686 1061307761 /nfs/dbraw/zinc/30/77/61/1061307761.db2.gz SSFHWFVUGKHRJX-QMHWCDLVSA-N 2 1 398.595 3.524 20 0 GHADMP C[N@@H+](CCC(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC001454257107 1061672903 /nfs/dbraw/zinc/67/29/03/1061672903.db2.gz BTIJGTDOZAYGQM-UHFFFAOYSA-N 2 1 383.580 3.647 20 0 GHADMP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001454545327 1061829890 /nfs/dbraw/zinc/82/98/90/1061829890.db2.gz ZRJRFQLIFUGGRJ-FSZRXZPDSA-N 2 1 385.474 3.686 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001454848873 1061945354 /nfs/dbraw/zinc/94/53/54/1061945354.db2.gz LDYMWHIBALKSRN-PKTZIBPZSA-N 2 1 379.548 3.850 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001455507639 1062195911 /nfs/dbraw/zinc/19/59/11/1062195911.db2.gz USDQNHYQXIQUAG-QFIPXVFZSA-N 2 1 383.580 3.908 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001347189290 1062198779 /nfs/dbraw/zinc/19/87/79/1062198779.db2.gz QLJFCDKGOLRSNF-VGOFRKELSA-N 2 1 394.450 3.599 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@](F)(COC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001347189290 1062198790 /nfs/dbraw/zinc/19/87/90/1062198790.db2.gz QLJFCDKGOLRSNF-VGOFRKELSA-N 2 1 394.450 3.599 20 0 GHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1)[NH+](C)C ZINC001455811577 1062302882 /nfs/dbraw/zinc/30/28/82/1062302882.db2.gz OQWSPDRFSDQUAL-JOCHJYFZSA-N 2 1 383.536 3.722 20 0 GHADMP C[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCCC1 ZINC001347725965 1062599514 /nfs/dbraw/zinc/59/95/14/1062599514.db2.gz WPFYPLSUEQHJQQ-SNWXZZBVSA-N 2 1 383.580 3.953 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001436921739 1063708034 /nfs/dbraw/zinc/70/80/34/1063708034.db2.gz MNWLDFZAXVFFGQ-NJDAHSKKSA-N 2 1 397.588 3.516 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001436921739 1063708052 /nfs/dbraw/zinc/70/80/52/1063708052.db2.gz MNWLDFZAXVFFGQ-NJDAHSKKSA-N 2 1 397.588 3.516 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001436921739 1063708072 /nfs/dbraw/zinc/70/80/72/1063708072.db2.gz MNWLDFZAXVFFGQ-NJDAHSKKSA-N 2 1 397.588 3.516 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC001350974728 1064231308 /nfs/dbraw/zinc/23/13/08/1064231308.db2.gz CWDJTKOCPOLYDT-SGZOCVJNSA-N 2 1 377.532 3.802 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCc2nccn2C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001459925839 1064277316 /nfs/dbraw/zinc/27/73/16/1064277316.db2.gz TULRLHBNIRPVKS-UYAOXDASSA-N 2 1 382.552 3.742 20 0 GHADMP CC(C)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC001463553428 1064454935 /nfs/dbraw/zinc/45/49/35/1064454935.db2.gz UROGDMGFUQBXHM-IBGZPJMESA-N 2 1 393.522 3.525 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc4c[nH]ccc-4n3)cc2)C1 ZINC001464212947 1064910161 /nfs/dbraw/zinc/91/01/61/1064910161.db2.gz QVEHURSQDGCGAZ-CALCHBBNSA-N 2 1 376.504 3.971 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001464785321 1065210034 /nfs/dbraw/zinc/21/00/34/1065210034.db2.gz BVCQQHCNUTVADV-DNQXCXABSA-N 2 1 391.559 3.852 20 0 GHADMP C[N@@H+](CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC001467007116 1066442099 /nfs/dbraw/zinc/44/20/99/1066442099.db2.gz WJZKLFMWMGJJBH-UHFFFAOYSA-N 2 1 390.597 3.870 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC001467308000 1067215152 /nfs/dbraw/zinc/21/51/52/1067215152.db2.gz JTZGXGYBFLPUBP-WMZOPIPTSA-N 2 1 385.474 3.546 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001467516102 1067337839 /nfs/dbraw/zinc/33/78/39/1067337839.db2.gz CURZDVVNIXSMIA-FQEVSTJZSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC001467673389 1067410134 /nfs/dbraw/zinc/41/01/34/1067410134.db2.gz BMRNBVGRQBNVNF-HBMCJLEFSA-N 2 1 378.605 3.545 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1)c1ccccc1Cl ZINC001468014117 1067564804 /nfs/dbraw/zinc/56/48/04/1067564804.db2.gz HFYQKLVTHQSNLM-IBGZPJMESA-N 2 1 394.991 3.849 20 0 GHADMP C[C@H](CNC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC001468143010 1067608918 /nfs/dbraw/zinc/60/89/18/1067608918.db2.gz GKNWZVAXJBJDBY-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)[NH+](C)C)cc1 ZINC001468351152 1067699026 /nfs/dbraw/zinc/69/90/26/1067699026.db2.gz MTYHPSOOWGDYFT-YADHBBJMSA-N 2 1 386.584 3.694 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001477797863 1078571098 /nfs/dbraw/zinc/57/10/98/1078571098.db2.gz HMDPDKZLGKUPNW-JOCHJYFZSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCC[N@H+]1Cc1ccccc1 ZINC000849098375 1067726478 /nfs/dbraw/zinc/72/64/78/1067726478.db2.gz ZBNIIZHJNCHHHJ-HSZRJFAPSA-N 2 1 394.519 3.839 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000849122440 1067738297 /nfs/dbraw/zinc/73/82/97/1067738297.db2.gz GFKKHXXWHXYWJY-MLCQCVOFSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[NH+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000849122440 1067738304 /nfs/dbraw/zinc/73/83/04/1067738304.db2.gz GFKKHXXWHXYWJY-MLCQCVOFSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000849122440 1067738313 /nfs/dbraw/zinc/73/83/13/1067738313.db2.gz GFKKHXXWHXYWJY-MLCQCVOFSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000849122440 1067738323 /nfs/dbraw/zinc/73/83/23/1067738323.db2.gz GFKKHXXWHXYWJY-MLCQCVOFSA-N 2 1 390.527 3.800 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001468765877 1067870184 /nfs/dbraw/zinc/87/01/84/1067870184.db2.gz WPTCMEHIBQBFNC-RTWAWAEBSA-N 2 1 388.600 3.563 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001478057789 1078695028 /nfs/dbraw/zinc/69/50/28/1078695028.db2.gz MVZPSFROXKCFJD-FGZHOGPDSA-N 2 1 390.616 3.547 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460406654 1068955050 /nfs/dbraw/zinc/95/50/50/1068955050.db2.gz HTQVBBAURQBTOG-PMACEKPBSA-N 2 1 379.589 3.830 20 0 GHADMP CCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1c(C)oc(C)c1C ZINC001460821318 1069201646 /nfs/dbraw/zinc/20/16/46/1069201646.db2.gz XGNOQHRKFXJJRW-UHFFFAOYSA-N 2 1 377.573 3.796 20 0 GHADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1c(C)oc(C)c1C ZINC001460821318 1069201652 /nfs/dbraw/zinc/20/16/52/1069201652.db2.gz XGNOQHRKFXJJRW-UHFFFAOYSA-N 2 1 377.573 3.796 20 0 GHADMP CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001460928995 1069279779 /nfs/dbraw/zinc/27/97/79/1069279779.db2.gz BEKRTDMGUVHQQG-RBUKOAKNSA-N 2 1 379.589 3.828 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001470699465 1072691835 /nfs/dbraw/zinc/69/18/35/1072691835.db2.gz AKRAIAGRJGITKX-UHFFFAOYSA-N 2 1 380.621 3.506 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001470785172 1072738988 /nfs/dbraw/zinc/73/89/88/1072738988.db2.gz YCJYFBYDTVUOCS-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001470785172 1072738992 /nfs/dbraw/zinc/73/89/92/1072738992.db2.gz YCJYFBYDTVUOCS-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001470785172 1072738997 /nfs/dbraw/zinc/73/89/97/1072738997.db2.gz YCJYFBYDTVUOCS-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001470825210 1072757224 /nfs/dbraw/zinc/75/72/24/1072757224.db2.gz WPYJYENMMIMYDB-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001470825210 1072757233 /nfs/dbraw/zinc/75/72/33/1072757233.db2.gz WPYJYENMMIMYDB-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001470825210 1072757241 /nfs/dbraw/zinc/75/72/41/1072757241.db2.gz WPYJYENMMIMYDB-XZOQPEGZSA-N 2 1 398.595 3.699 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)[NH+](CC)CC)cc1 ZINC001478733937 1078970098 /nfs/dbraw/zinc/97/00/98/1078970098.db2.gz ARTOAZWPCWTSEG-FSSWDIPSSA-N 2 1 386.584 3.510 20 0 GHADMP CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001478956661 1079038761 /nfs/dbraw/zinc/03/87/61/1079038761.db2.gz DUARQNJPNUGXLH-ILWGZMRPSA-N 2 1 388.600 3.626 20 0 GHADMP CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001478956661 1079038766 /nfs/dbraw/zinc/03/87/66/1079038766.db2.gz DUARQNJPNUGXLH-ILWGZMRPSA-N 2 1 388.600 3.626 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001479002071 1079060033 /nfs/dbraw/zinc/06/00/33/1079060033.db2.gz XTRFKNWRJFZVEU-IFMALSPDSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001479002071 1079060035 /nfs/dbraw/zinc/06/00/35/1079060035.db2.gz XTRFKNWRJFZVEU-IFMALSPDSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1CC1CCCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001479002071 1079060040 /nfs/dbraw/zinc/06/00/40/1079060040.db2.gz XTRFKNWRJFZVEU-IFMALSPDSA-N 2 1 390.616 3.737 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001472331189 1073427700 /nfs/dbraw/zinc/42/77/00/1073427700.db2.gz PBPMVYMQIUICOM-ZLNRFVROSA-N 2 1 383.580 3.620 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC001472468970 1073502578 /nfs/dbraw/zinc/50/25/78/1073502578.db2.gz HHZSZFWISBSZCU-NRFANRHFSA-N 2 1 375.557 3.505 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCN(c4cc[nH+]cc4)C3)cc2)C1 ZINC001472489374 1073508555 /nfs/dbraw/zinc/50/85/55/1073508555.db2.gz VQJLJKVZRMCOHA-QUCCMNQESA-N 2 1 378.520 3.779 20 0 GHADMP CC[N@H+]1CC[C@@H]1CNc1nc(CN(C)C)nc2scc(-c3ccccc3)c21 ZINC001472861340 1073699609 /nfs/dbraw/zinc/69/96/09/1073699609.db2.gz AGFKVAJPZNTTPI-MRXNPFEDSA-N 2 1 381.549 3.926 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC001473170439 1073827843 /nfs/dbraw/zinc/82/78/43/1073827843.db2.gz NKWDHCZZZLIMSW-VAMGGRTRSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC001473170439 1073827858 /nfs/dbraw/zinc/82/78/58/1073827858.db2.gz NKWDHCZZZLIMSW-VAMGGRTRSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC001473170439 1073827871 /nfs/dbraw/zinc/82/78/71/1073827871.db2.gz NKWDHCZZZLIMSW-VAMGGRTRSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC001473170439 1073827882 /nfs/dbraw/zinc/82/78/82/1073827882.db2.gz NKWDHCZZZLIMSW-VAMGGRTRSA-N 2 1 394.987 3.975 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCC[C@@H]1C ZINC001473382925 1073943074 /nfs/dbraw/zinc/94/30/74/1073943074.db2.gz DQNMZKKTYPMAEM-NZQKXSOJSA-N 2 1 385.596 3.976 20 0 GHADMP CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001473467703 1073979841 /nfs/dbraw/zinc/97/98/41/1073979841.db2.gz GMQABHULFZSPTM-FQEVSTJZSA-N 2 1 397.604 3.648 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3ccc4c[nH]nc4c3)cc2)C[C@H](C)O1 ZINC001473597205 1074039611 /nfs/dbraw/zinc/03/96/11/1074039611.db2.gz FNZHGXYXZVLVEF-HDICACEKSA-N 2 1 378.520 3.804 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3ccc4c[nH]nc4c3)cc2)C[C@H](C)O1 ZINC001473597205 1074039621 /nfs/dbraw/zinc/03/96/21/1074039621.db2.gz FNZHGXYXZVLVEF-HDICACEKSA-N 2 1 378.520 3.804 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3ccc4c[nH]nc4c3)cc2)C[C@H](C)O1 ZINC001473597205 1074039632 /nfs/dbraw/zinc/03/96/32/1074039632.db2.gz FNZHGXYXZVLVEF-HDICACEKSA-N 2 1 378.520 3.804 20 0 GHADMP Cc1ccccc1C(=O)N1CCC([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001473917667 1074202421 /nfs/dbraw/zinc/20/24/21/1074202421.db2.gz KYRKNNHKMGPSBJ-UHFFFAOYSA-N 2 1 379.548 3.711 20 0 GHADMP Cc1cccc(C(=O)N2CCC([NH2+]CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC001473959023 1074218472 /nfs/dbraw/zinc/21/84/72/1074218472.db2.gz IVSRSBBASCANRB-BGYRXZFFSA-N 2 1 385.596 3.946 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccnc12 ZINC001474339410 1074350751 /nfs/dbraw/zinc/35/07/51/1074350751.db2.gz IZNIDHXPSQUIJV-LJQANCHMSA-N 2 1 395.547 3.965 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)ccnc12 ZINC001474339410 1074350759 /nfs/dbraw/zinc/35/07/59/1074350759.db2.gz IZNIDHXPSQUIJV-LJQANCHMSA-N 2 1 395.547 3.965 20 0 GHADMP C[N@H+](CCN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1)Cc1ccccc1 ZINC001474367223 1074366775 /nfs/dbraw/zinc/36/67/75/1074366775.db2.gz SKPUWBPQXTWSJR-UHFFFAOYSA-N 2 1 393.575 3.725 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1)Cc1ccccc1 ZINC001474367223 1074366785 /nfs/dbraw/zinc/36/67/85/1074366785.db2.gz SKPUWBPQXTWSJR-UHFFFAOYSA-N 2 1 393.575 3.725 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OCc1ccccc1 ZINC001474757142 1074547168 /nfs/dbraw/zinc/54/71/68/1074547168.db2.gz HZCQGLALFVZJRU-GGAORHGYSA-N 2 1 393.531 3.871 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OCc1ccccc1 ZINC001474757142 1074547175 /nfs/dbraw/zinc/54/71/75/1074547175.db2.gz HZCQGLALFVZJRU-GGAORHGYSA-N 2 1 393.531 3.871 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001476124582 1075088884 /nfs/dbraw/zinc/08/88/84/1075088884.db2.gz OQXKZZNFSBTBMH-SFTDATJTSA-N 2 1 388.556 3.546 20 0 GHADMP c1ccc2c(c1)CO[C@]21CCN(CCC[N@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634421 570943097 /nfs/dbraw/zinc/94/30/97/570943097.db2.gz NTPLBOVQMJSJBJ-PLQXJYEYSA-N 2 1 390.527 3.639 20 0 GHADMP c1ccc2c(c1)CO[C@]21CC[N@@H+](CCCN2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634421 570943106 /nfs/dbraw/zinc/94/31/06/570943106.db2.gz NTPLBOVQMJSJBJ-PLQXJYEYSA-N 2 1 390.527 3.639 20 0 GHADMP c1ccc2c(c1)CO[C@]21CC[N@H+](CCCN2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634421 570943109 /nfs/dbraw/zinc/94/31/09/570943109.db2.gz NTPLBOVQMJSJBJ-PLQXJYEYSA-N 2 1 390.527 3.639 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820710645 599367690 /nfs/dbraw/zinc/36/76/90/599367690.db2.gz RISLVLFLTPHNNB-ROUUACIJSA-N 2 1 390.535 3.949 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000824618880 609330805 /nfs/dbraw/zinc/33/08/05/609330805.db2.gz RIXFZDKNSKAMHU-OAHLLOKOSA-N 2 1 382.487 3.697 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@H]3Cc3ccccc3)ccc21 ZINC000650236911 837461526 /nfs/dbraw/zinc/46/15/26/837461526.db2.gz ODEHOUAXTVHHLS-FYYLOGMGSA-N 2 1 392.547 3.626 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@H]3Cc3ccccc3)ccc21 ZINC000650236911 837461533 /nfs/dbraw/zinc/46/15/33/837461533.db2.gz ODEHOUAXTVHHLS-FYYLOGMGSA-N 2 1 392.547 3.626 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000471393701 837541248 /nfs/dbraw/zinc/54/12/48/837541248.db2.gz XBSCOSWXELJSAU-UHFFFAOYSA-N 2 1 397.588 3.525 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431795791 837570854 /nfs/dbraw/zinc/57/08/54/837570854.db2.gz QSCZBADENDAMAV-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP c1ccc2c(c1)CCN2Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655687053 837607415 /nfs/dbraw/zinc/60/74/15/837607415.db2.gz TWJPICZJNAISRD-DEOSSOPVSA-N 2 1 391.559 3.592 20 0 GHADMP Cc1cccc(COc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1 ZINC000655688869 837610155 /nfs/dbraw/zinc/61/01/55/837610155.db2.gz NYCWHJFVSBCVDD-QHCPKHFHSA-N 2 1 380.532 3.917 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(C)C ZINC000655685449 837668077 /nfs/dbraw/zinc/66/80/77/837668077.db2.gz DJVDSJMROKIVLW-YLJYHZDGSA-N 2 1 376.541 3.776 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655712152 837705960 /nfs/dbraw/zinc/70/59/60/837705960.db2.gz RAZLQTUSBLTBDM-ZWKOTPCHSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655712152 837705967 /nfs/dbraw/zinc/70/59/67/837705967.db2.gz RAZLQTUSBLTBDM-ZWKOTPCHSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1sc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nc1-c1ccccc1 ZINC000655732454 837767915 /nfs/dbraw/zinc/76/79/15/837767915.db2.gz BYCLFEGRKWJMES-FQEVSTJZSA-N 2 1 385.577 3.894 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OCC ZINC000650705629 834525311 /nfs/dbraw/zinc/52/53/11/834525311.db2.gz OMFSGLPJCCFZRB-QKNQBKEWSA-N 2 1 376.541 3.592 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000650705745 834525923 /nfs/dbraw/zinc/52/59/23/834525923.db2.gz UIKLLASFOXLQNJ-ZDXQCDESSA-N 2 1 380.532 3.984 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1OC ZINC000650705730 834526253 /nfs/dbraw/zinc/52/62/53/834526253.db2.gz UAGYNIGFOCYUJN-QKNQBKEWSA-N 2 1 376.541 3.592 20 0 GHADMP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708155 834547611 /nfs/dbraw/zinc/54/76/11/834547611.db2.gz UKEAWGRGHNEOJR-RRQGHBQHSA-N 2 1 399.398 3.889 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)NCc1cccs1 ZINC000647334728 834594426 /nfs/dbraw/zinc/59/44/26/834594426.db2.gz QUAZHLACZJEIFY-VDGAXYAQSA-N 2 1 377.598 3.776 20 0 GHADMP C[C@@H]1C[C@H](NCc2cccnc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090942527 834614476 /nfs/dbraw/zinc/61/44/76/834614476.db2.gz LWEAOVFZDDOMDD-VQIMIIECSA-N 2 1 375.463 3.868 20 0 GHADMP C[C@@H]1C[C@@H](N2CCCC2)C[NH+]1CCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000375761919 834669916 /nfs/dbraw/zinc/66/99/16/834669916.db2.gz IPQAUCRXUPXEHE-YCAMKHIRSA-N 2 1 390.660 3.664 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[NH+]1CCCCCC[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000375761919 834669919 /nfs/dbraw/zinc/66/99/19/834669919.db2.gz IPQAUCRXUPXEHE-YCAMKHIRSA-N 2 1 390.660 3.664 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[NH+]1CCCCCC[N@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000375761919 834669926 /nfs/dbraw/zinc/66/99/26/834669926.db2.gz IPQAUCRXUPXEHE-YCAMKHIRSA-N 2 1 390.660 3.664 20 0 GHADMP COc1cc2ccc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2cc1OC ZINC000657879091 834885878 /nfs/dbraw/zinc/88/58/78/834885878.db2.gz JILKVCHYFKJCOV-DYESRHJHSA-N 2 1 386.536 3.745 20 0 GHADMP Cc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc(C(F)(F)F)c1 ZINC001143450776 834913573 /nfs/dbraw/zinc/91/35/73/834913573.db2.gz JPOFEJQHGKQYKA-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP Cc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc(C(F)(F)F)c1 ZINC001143450776 834913576 /nfs/dbraw/zinc/91/35/76/834913576.db2.gz JPOFEJQHGKQYKA-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP Fc1ccccc1COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655754806 837827226 /nfs/dbraw/zinc/82/72/26/837827226.db2.gz HMQZLEWXXZDCHR-NRFANRHFSA-N 2 1 384.495 3.748 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000685458515 835023455 /nfs/dbraw/zinc/02/34/55/835023455.db2.gz SUDVIQNARNUCIC-UHFFFAOYSA-N 2 1 390.575 3.759 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000685460358 835027650 /nfs/dbraw/zinc/02/76/50/835027650.db2.gz SPKGKLFJUHLXHR-YOFSQIOKSA-N 2 1 381.486 3.757 20 0 GHADMP CC(C)C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000467157652 835190909 /nfs/dbraw/zinc/19/09/09/835190909.db2.gz IQSHRRFBGBRGNN-LJQANCHMSA-N 2 1 375.582 3.542 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc(OC)c1OC ZINC000472347702 835264648 /nfs/dbraw/zinc/26/46/48/835264648.db2.gz PSWMOXZHSYICGW-SFTDATJTSA-N 2 1 398.547 3.885 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274793092 835309171 /nfs/dbraw/zinc/30/91/71/835309171.db2.gz MUZKWNIQXYNLCU-GCJKJVERSA-N 2 1 377.532 3.596 20 0 GHADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1F ZINC000655204667 835383615 /nfs/dbraw/zinc/38/36/15/835383615.db2.gz NTRFTZCPSUYLSW-OAQYLSRUSA-N 2 1 375.532 3.589 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000584002136 835392560 /nfs/dbraw/zinc/39/25/60/835392560.db2.gz NOHSTBIYBLOBAK-UHFFFAOYSA-N 2 1 392.503 3.540 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000584002136 835392564 /nfs/dbraw/zinc/39/25/64/835392564.db2.gz NOHSTBIYBLOBAK-UHFFFAOYSA-N 2 1 392.503 3.540 20 0 GHADMP Cc1cc(C)cc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000612048131 835435177 /nfs/dbraw/zinc/43/51/77/835435177.db2.gz XZMDHPXIWCHUOW-UHFFFAOYSA-N 2 1 385.596 3.501 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000433363073 844052830 /nfs/dbraw/zinc/05/28/30/844052830.db2.gz QOJHHCNNHILGSJ-XMSQKQJNSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000433363073 844052838 /nfs/dbraw/zinc/05/28/38/844052838.db2.gz QOJHHCNNHILGSJ-XMSQKQJNSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000548860671 835452043 /nfs/dbraw/zinc/45/20/43/835452043.db2.gz CQYSUKUWHFRCHX-FXAWDEMLSA-N 2 1 387.597 3.699 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)[C@]1(O)CCCOC1 ZINC000658317192 835570328 /nfs/dbraw/zinc/57/03/28/835570328.db2.gz VRRKUZQFUVZQOW-AZKZNFPZSA-N 2 1 386.580 3.587 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000179392815 835672984 /nfs/dbraw/zinc/67/29/84/835672984.db2.gz IYKCESBVDDZOQB-UHFFFAOYSA-N 2 1 393.487 3.632 20 0 GHADMP C[C@@H](O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000584213129 835767875 /nfs/dbraw/zinc/76/78/75/835767875.db2.gz ZHONXLSRBWDQQD-BTYSMDAFSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H](O)[C@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000584213129 835767885 /nfs/dbraw/zinc/76/78/85/835767885.db2.gz ZHONXLSRBWDQQD-BTYSMDAFSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H](O)[C@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000584213129 835767892 /nfs/dbraw/zinc/76/78/92/835767892.db2.gz ZHONXLSRBWDQQD-BTYSMDAFSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274923189 835826384 /nfs/dbraw/zinc/82/63/84/835826384.db2.gz PMLFAKTVLRERLC-REWPJTCUSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1CN1CCCC1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274923186 835826482 /nfs/dbraw/zinc/82/64/82/835826482.db2.gz PMLFAKTVLRERLC-NFBKMPQASA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471959965 844096754 /nfs/dbraw/zinc/09/67/54/844096754.db2.gz BITCPNMIRHXIBO-CQSZACIVSA-N 2 1 386.367 3.581 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC000584351299 835904932 /nfs/dbraw/zinc/90/49/32/835904932.db2.gz AMIYNSRVDRBGQH-SFHVURJKSA-N 2 1 395.551 3.529 20 0 GHADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000151870000 835971442 /nfs/dbraw/zinc/97/14/42/835971442.db2.gz OEZUQKCWOVKEOY-HXUWFJFHSA-N 2 1 398.551 3.615 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000151870000 835971450 /nfs/dbraw/zinc/97/14/50/835971450.db2.gz OEZUQKCWOVKEOY-HXUWFJFHSA-N 2 1 398.551 3.615 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000092559972 844113742 /nfs/dbraw/zinc/11/37/42/844113742.db2.gz SDBRLITZYVPXBE-UHFFFAOYSA-N 2 1 388.552 3.509 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000154862733 836084356 /nfs/dbraw/zinc/08/43/56/836084356.db2.gz BBDJZUHGUXCSFE-MRXNPFEDSA-N 2 1 392.540 3.920 20 0 GHADMP Cn1c(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2c1cccc2F ZINC000180173325 836102257 /nfs/dbraw/zinc/10/22/57/836102257.db2.gz LYQCELIHFPJCQK-IRFCIJBXSA-N 2 1 392.522 3.755 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1F ZINC000180503796 836183012 /nfs/dbraw/zinc/18/30/12/836183012.db2.gz ALMJDFFWQOBMPL-UGKGYDQZSA-N 2 1 383.511 3.764 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000547764040 836217973 /nfs/dbraw/zinc/21/79/73/836217973.db2.gz PBJHSXXPYPIISJ-QHCPKHFHSA-N 2 1 393.575 3.823 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1Br ZINC000180646150 836237109 /nfs/dbraw/zinc/23/71/09/836237109.db2.gz DDQZPJXYVJGHCC-QAPCUYQASA-N 2 1 389.337 3.867 20 0 GHADMP COC1(CC[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCC1 ZINC000549709757 844146455 /nfs/dbraw/zinc/14/64/55/844146455.db2.gz QLSFZCDKZLHEIH-UHFFFAOYSA-N 2 1 382.302 3.700 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[NH+](C)CCc2ccccc2)cc1 ZINC000613449922 836414551 /nfs/dbraw/zinc/41/45/51/836414551.db2.gz ANFINBPZVVRFAN-OAQYLSRUSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000613449922 836414554 /nfs/dbraw/zinc/41/45/54/836414554.db2.gz ANFINBPZVVRFAN-OAQYLSRUSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000613449922 836414558 /nfs/dbraw/zinc/41/45/58/836414558.db2.gz ANFINBPZVVRFAN-OAQYLSRUSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000570159825 836475528 /nfs/dbraw/zinc/47/55/28/836475528.db2.gz PTCARBCMPDMVQP-CYFREDJKSA-N 2 1 377.532 3.835 20 0 GHADMP CC(CN1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000510240614 836928946 /nfs/dbraw/zinc/92/89/46/836928946.db2.gz UPRVSHYYOUXRDU-UHFFFAOYSA-N 3 1 390.660 3.523 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC[C@H]1[NH3+] ZINC000647497733 837052373 /nfs/dbraw/zinc/05/23/73/837052373.db2.gz SVVOFFBBOKMEPD-SIKLNZKXSA-N 2 1 378.520 3.781 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000647497585 837062274 /nfs/dbraw/zinc/06/22/74/837062274.db2.gz MZTCYNRZSGEURX-SIKLNZKXSA-N 2 1 375.520 3.553 20 0 GHADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(C)=O ZINC000547828553 837163069 /nfs/dbraw/zinc/16/30/69/837163069.db2.gz ZTQCBMFWEIWQNH-DYESRHJHSA-N 2 1 381.520 3.654 20 0 GHADMP Brc1cccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000414356096 837347640 /nfs/dbraw/zinc/34/76/40/837347640.db2.gz YJSHIWNFMRNOBC-VQTJNVASSA-N 2 1 392.385 3.630 20 0 GHADMP c1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000030907150 837348969 /nfs/dbraw/zinc/34/89/69/837348969.db2.gz UBWJHEVFRRVXST-HXUWFJFHSA-N 2 1 387.531 3.567 20 0 GHADMP Brc1ccc(/C=C/C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655772772 837845321 /nfs/dbraw/zinc/84/53/21/837845321.db2.gz MMUZSOHMXXPQFT-UJXFUWLCSA-N 2 1 379.342 3.695 20 0 GHADMP Clc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC3 ZINC000655779657 837854636 /nfs/dbraw/zinc/85/46/36/837854636.db2.gz PWBJOSGPEWIMDJ-MSOLQXFVSA-N 2 1 387.955 3.912 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000655780494 837871475 /nfs/dbraw/zinc/87/14/75/837871475.db2.gz PDYUKXISTDNPNX-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP FC(F)(F)Oc1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c1 ZINC000655821237 837980922 /nfs/dbraw/zinc/98/09/22/837980922.db2.gz UXAPTANLDLKFIR-SFHVURJKSA-N 2 1 398.469 3.850 20 0 GHADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579953605 838016870 /nfs/dbraw/zinc/01/68/70/838016870.db2.gz XTNHKEBEWAOBAS-PTUXOGIPSA-N 2 1 391.559 3.602 20 0 GHADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000377861133 838082298 /nfs/dbraw/zinc/08/22/98/838082298.db2.gz ODAYFFZRMUZYSL-SFHVURJKSA-N 2 1 399.501 3.576 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000683643983 838128349 /nfs/dbraw/zinc/12/83/49/838128349.db2.gz MEMJBXMNEYACAP-IBGZPJMESA-N 2 1 399.579 3.544 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000415880234 838226155 /nfs/dbraw/zinc/22/61/55/838226155.db2.gz FFGKCFDGVRABSQ-JPYJTQIMSA-N 2 1 392.547 3.849 20 0 GHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCCCC1 ZINC000110178419 844304341 /nfs/dbraw/zinc/30/43/41/844304341.db2.gz RTXMBVXYMHGIIQ-UHFFFAOYSA-N 2 1 375.582 3.829 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000415930785 838280148 /nfs/dbraw/zinc/28/01/48/838280148.db2.gz JOPWKDPNRWVTNQ-IBGZPJMESA-N 2 1 380.536 3.782 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000415930213 838287558 /nfs/dbraw/zinc/28/75/58/838287558.db2.gz JUVXOSQPHUNVMP-SFHVURJKSA-N 2 1 380.536 3.960 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000415944051 838296817 /nfs/dbraw/zinc/29/68/17/838296817.db2.gz NQFQVHKDVPXSDP-DEOSSOPVSA-N 2 1 392.547 3.926 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)c1csc(C[NH3+])n1 ZINC000659357807 838311936 /nfs/dbraw/zinc/31/19/36/838311936.db2.gz NKBIBHYJNRWGQU-UHFFFAOYSA-N 2 1 394.972 3.630 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1F ZINC000275671436 838323648 /nfs/dbraw/zinc/32/36/48/838323648.db2.gz PDFZKWDCUSGSHL-UHFFFAOYSA-N 2 1 395.482 3.746 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@H](c1ccccc1)[NH+](C)C ZINC000613591819 838540166 /nfs/dbraw/zinc/54/01/66/838540166.db2.gz CKPOHFXCIBGXMI-WAIKUNEKSA-N 2 1 390.531 3.577 20 0 GHADMP C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@H](c1ccccc1)[NH+](C)C ZINC000613591819 838540172 /nfs/dbraw/zinc/54/01/72/838540172.db2.gz CKPOHFXCIBGXMI-WAIKUNEKSA-N 2 1 390.531 3.577 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000416240414 838785427 /nfs/dbraw/zinc/78/54/27/838785427.db2.gz JMCUZXZWKNOZPC-UKILVPOCSA-N 2 1 391.559 3.804 20 0 GHADMP COC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000683814921 838915060 /nfs/dbraw/zinc/91/50/60/838915060.db2.gz CJQATJDTLOISTR-OALUTQOASA-N 2 1 393.984 3.667 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000312143183 838942776 /nfs/dbraw/zinc/94/27/76/838942776.db2.gz SETLZXRKEWUVAA-WTGUMLROSA-N 2 1 379.589 3.876 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OCCOc1ccccc1Cl ZINC000415025207 839077084 /nfs/dbraw/zinc/07/70/84/839077084.db2.gz ZSOJAXHHRUDLMJ-LSDHHAIUSA-N 2 1 378.900 3.632 20 0 GHADMP Fc1cccc(Cl)c1COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415046741 839113446 /nfs/dbraw/zinc/11/34/46/839113446.db2.gz VHVOYBWEWUHVBB-KRWDZBQOSA-N 2 1 378.875 3.526 20 0 GHADMP c1ccc(COc2ccccc2C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415047667 839115657 /nfs/dbraw/zinc/11/56/57/839115657.db2.gz FKEXEOYZQUOOJS-UHFFFAOYSA-N 2 1 379.548 3.572 20 0 GHADMP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052331 839121093 /nfs/dbraw/zinc/12/10/93/839121093.db2.gz KPSKYXDZAOYQDQ-ONFJWFQXSA-N 2 1 385.596 3.916 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000047832512 839133428 /nfs/dbraw/zinc/13/34/28/839133428.db2.gz YTAVQVVLVVXMDJ-IBGZPJMESA-N 2 1 388.581 3.690 20 0 GHADMP Brc1cccc(OCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415072838 839170067 /nfs/dbraw/zinc/17/00/67/839170067.db2.gz AEBORYUXKGPZGI-HKUYNNGSSA-N 2 1 375.310 3.911 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000378525187 839278761 /nfs/dbraw/zinc/27/87/61/839278761.db2.gz ZEMKNKUMRKUMTQ-UYAOXDASSA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378525187 839278773 /nfs/dbraw/zinc/27/87/73/839278773.db2.gz ZEMKNKUMRKUMTQ-UYAOXDASSA-N 2 1 386.584 3.684 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378525187 839278790 /nfs/dbraw/zinc/27/87/90/839278790.db2.gz ZEMKNKUMRKUMTQ-UYAOXDASSA-N 2 1 386.584 3.684 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000655353573 839332097 /nfs/dbraw/zinc/33/20/97/839332097.db2.gz UOSPIMDGVCJFCV-CEWLAPEOSA-N 2 1 384.568 3.626 20 0 GHADMP C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378563596 839340360 /nfs/dbraw/zinc/34/03/60/839340360.db2.gz SLRQXWLXHLQUHO-MJGOQNOKSA-N 2 1 385.939 3.570 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC000160475101 839396621 /nfs/dbraw/zinc/39/66/21/839396621.db2.gz SQSWCJLAJIKNCK-QFBILLFUSA-N 2 1 399.539 3.843 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1)C1CC1 ZINC000511566554 839401160 /nfs/dbraw/zinc/40/11/60/839401160.db2.gz QCKMFONGPKDMSU-NRFANRHFSA-N 2 1 381.520 3.831 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000377561031 839729556 /nfs/dbraw/zinc/72/95/56/839729556.db2.gz HOSXKRAMXUMBQX-GOSISDBHSA-N 2 1 375.900 3.679 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1CN(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000656262787 839913287 /nfs/dbraw/zinc/91/32/87/839913287.db2.gz ZGMOWCPSBZPTIW-KDOFPFPSSA-N 2 1 391.357 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000656262787 839913293 /nfs/dbraw/zinc/91/32/93/839913293.db2.gz ZGMOWCPSBZPTIW-KDOFPFPSSA-N 2 1 391.357 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000656262787 839913302 /nfs/dbraw/zinc/91/33/02/839913302.db2.gz ZGMOWCPSBZPTIW-KDOFPFPSSA-N 2 1 391.357 3.715 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000431849165 839920737 /nfs/dbraw/zinc/92/07/37/839920737.db2.gz CAAQRXFHYQZWLO-PTUXOGIPSA-N 2 1 379.548 3.849 20 0 GHADMP C[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698742 839985057 /nfs/dbraw/zinc/98/50/57/839985057.db2.gz KUCGMHIILBZOLP-SFHVURJKSA-N 2 1 388.556 3.629 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000580696672 840026525 /nfs/dbraw/zinc/02/65/25/840026525.db2.gz DSRGHPDDRPTPEH-BDTNDASRSA-N 2 1 378.520 3.573 20 0 GHADMP CCC[N@H+](Cc1nc2ccccc2[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126512469 840267104 /nfs/dbraw/zinc/26/71/04/840267104.db2.gz XUWQLBYPNKKZNO-UHFFFAOYSA-N 2 1 378.524 3.851 20 0 GHADMP CCC[N@@H+](Cc1nc2ccccc2[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126512469 840267111 /nfs/dbraw/zinc/26/71/11/840267111.db2.gz XUWQLBYPNKKZNO-UHFFFAOYSA-N 2 1 378.524 3.851 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126726087 840282495 /nfs/dbraw/zinc/28/24/95/840282495.db2.gz FVPNNNXNFQIIQY-TZUVLKIQSA-N 2 1 394.357 3.771 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126726087 840282502 /nfs/dbraw/zinc/28/25/02/840282502.db2.gz FVPNNNXNFQIIQY-TZUVLKIQSA-N 2 1 394.357 3.771 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000416968713 840324888 /nfs/dbraw/zinc/32/48/88/840324888.db2.gz JPCWLNHZHHTBON-UHFFFAOYSA-N 2 1 382.552 3.587 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[N@H+]1Cc1ccccc1 ZINC000390712893 840373179 /nfs/dbraw/zinc/37/31/79/840373179.db2.gz XHFLRZREVRZWGR-NQHRYMMQSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[NH+]1Cc1ccccc1 ZINC000390712893 840373187 /nfs/dbraw/zinc/37/31/87/840373187.db2.gz XHFLRZREVRZWGR-NQHRYMMQSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[NH+]1Cc1ccccc1 ZINC000390712893 840373199 /nfs/dbraw/zinc/37/31/99/840373199.db2.gz XHFLRZREVRZWGR-NQHRYMMQSA-N 2 1 393.575 3.530 20 0 GHADMP CCN(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418552460 840470383 /nfs/dbraw/zinc/47/03/83/840470383.db2.gz KYSLMFPNMYIEHU-WZONZLPQSA-N 2 1 392.547 3.657 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431926844 840553014 /nfs/dbraw/zinc/55/30/14/840553014.db2.gz ONLJQHPZIICMGI-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000652125237 840890385 /nfs/dbraw/zinc/89/03/85/840890385.db2.gz JVZZVVBNQBWPNX-LJQANCHMSA-N 2 1 394.563 3.637 20 0 GHADMP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468955 841054854 /nfs/dbraw/zinc/05/48/54/841054854.db2.gz WJJYOBNIJPALDE-RDPSFJRHSA-N 2 1 387.531 3.577 20 0 GHADMP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656468955 841054867 /nfs/dbraw/zinc/05/48/67/841054867.db2.gz WJJYOBNIJPALDE-RDPSFJRHSA-N 2 1 387.531 3.577 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651510 841058175 /nfs/dbraw/zinc/05/81/75/841058175.db2.gz ASMZNDCJLYZHFY-YADARESESA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651510 841058188 /nfs/dbraw/zinc/05/81/88/841058188.db2.gz ASMZNDCJLYZHFY-YADARESESA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651510 841058202 /nfs/dbraw/zinc/05/82/02/841058202.db2.gz ASMZNDCJLYZHFY-YADARESESA-N 2 1 377.532 3.573 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417837871 841218101 /nfs/dbraw/zinc/21/81/01/841218101.db2.gz MRPXJVWPQUJFQC-RZFNWQHOSA-N 2 1 394.563 3.601 20 0 GHADMP CCOc1ccc(-c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)cc1 ZINC000430577948 841218283 /nfs/dbraw/zinc/21/82/83/841218283.db2.gz YJDVTRYHSDFKBF-UHFFFAOYSA-N 2 1 375.538 3.539 20 0 GHADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001167458147 841258161 /nfs/dbraw/zinc/25/81/61/841258161.db2.gz QMQJPRCXTAQEBC-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@@H](C)[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001167458147 841258172 /nfs/dbraw/zinc/25/81/72/841258172.db2.gz QMQJPRCXTAQEBC-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@@H](C)[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001167458147 841258180 /nfs/dbraw/zinc/25/81/80/841258180.db2.gz QMQJPRCXTAQEBC-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP c1c2cnccc2oc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000651681525 841325770 /nfs/dbraw/zinc/32/57/70/841325770.db2.gz SDLCZAJCCUOEMC-UHFFFAOYSA-N 2 1 378.520 3.515 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500068797 841372609 /nfs/dbraw/zinc/37/26/09/841372609.db2.gz VBTMDQTWTFKZFQ-ISKFKSNPSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500068797 841372622 /nfs/dbraw/zinc/37/26/22/841372622.db2.gz VBTMDQTWTFKZFQ-ISKFKSNPSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500068797 841372648 /nfs/dbraw/zinc/37/26/48/841372648.db2.gz VBTMDQTWTFKZFQ-ISKFKSNPSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2=O)c(C)c1 ZINC000191091795 841472806 /nfs/dbraw/zinc/47/28/06/841472806.db2.gz HEQOQDWATLJGRS-VWPQPMDRSA-N 2 1 383.580 3.960 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)C2=O)c(C)c1 ZINC000191091795 841472810 /nfs/dbraw/zinc/47/28/10/841472810.db2.gz HEQOQDWATLJGRS-VWPQPMDRSA-N 2 1 383.580 3.960 20 0 GHADMP CSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000500243738 841716170 /nfs/dbraw/zinc/71/61/70/841716170.db2.gz FYVOLPIZAQLLTB-BBTUJRGHSA-N 2 1 397.588 3.838 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716222 861229942 /nfs/dbraw/zinc/22/99/42/861229942.db2.gz XDPIBGYIKCKIDJ-DOXZYTNZSA-N 2 1 381.358 3.725 20 0 GHADMP Cc1nn2c(C[NH2+]CC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000500249548 841732356 /nfs/dbraw/zinc/73/23/56/841732356.db2.gz KYDAZOAKKGRBFM-DNVCBOLYSA-N 2 1 383.565 3.798 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000109323534 841861596 /nfs/dbraw/zinc/86/15/96/841861596.db2.gz KTYXKAPEDHVJQH-LJQANCHMSA-N 2 1 383.540 3.907 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000109323534 841861600 /nfs/dbraw/zinc/86/16/00/841861600.db2.gz KTYXKAPEDHVJQH-LJQANCHMSA-N 2 1 383.540 3.907 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001266801601 842034515 /nfs/dbraw/zinc/03/45/15/842034515.db2.gz FTGIEGYMUKMGRV-NVXDSCFRSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001266801601 842034521 /nfs/dbraw/zinc/03/45/21/842034521.db2.gz FTGIEGYMUKMGRV-NVXDSCFRSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001266801601 842034528 /nfs/dbraw/zinc/03/45/28/842034528.db2.gz FTGIEGYMUKMGRV-NVXDSCFRSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001167824977 842034974 /nfs/dbraw/zinc/03/49/74/842034974.db2.gz JFSJDQYKQINDCW-GCJKJVERSA-N 2 1 375.532 3.765 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000652286079 842143881 /nfs/dbraw/zinc/14/38/81/842143881.db2.gz MFABNJYTCIJZBT-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000164589999 842299157 /nfs/dbraw/zinc/29/91/57/842299157.db2.gz YEBRTPYBFXXAAN-AWEZNQCLSA-N 2 1 393.329 3.741 20 0 GHADMP COc1ccccc1-c1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348906 842328228 /nfs/dbraw/zinc/32/82/28/842328228.db2.gz VTCGPAASHNCHSZ-RZQQEMMASA-N 2 1 387.549 3.537 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000796678025 842388057 /nfs/dbraw/zinc/38/80/57/842388057.db2.gz GMLXUEIVQMSZGN-SXLOBPIMSA-N 2 1 397.604 3.549 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCCO1 ZINC000432410709 842404503 /nfs/dbraw/zinc/40/45/03/842404503.db2.gz QYNSVDZIHAPXNH-SCLBCKFNSA-N 2 1 385.321 3.666 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CCCO1 ZINC000432410709 842404514 /nfs/dbraw/zinc/40/45/14/842404514.db2.gz QYNSVDZIHAPXNH-SCLBCKFNSA-N 2 1 385.321 3.666 20 0 GHADMP CC[N@@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581882864 842414604 /nfs/dbraw/zinc/41/46/04/842414604.db2.gz REUXZJOQVQIQNF-QUCCMNQESA-N 2 1 381.923 3.510 20 0 GHADMP CC[N@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581882864 842414608 /nfs/dbraw/zinc/41/46/08/842414608.db2.gz REUXZJOQVQIQNF-QUCCMNQESA-N 2 1 381.923 3.510 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000511961918 842584938 /nfs/dbraw/zinc/58/49/38/842584938.db2.gz VAFHKUUIBJPYDP-HRTMPFAESA-N 2 1 398.595 3.603 20 0 GHADMP COCCOc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000581911128 842631240 /nfs/dbraw/zinc/63/12/40/842631240.db2.gz HUGIRPCIDJZFTA-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000581911128 842631245 /nfs/dbraw/zinc/63/12/45/842631245.db2.gz HUGIRPCIDJZFTA-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000581911128 842631250 /nfs/dbraw/zinc/63/12/50/842631250.db2.gz HUGIRPCIDJZFTA-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581911128 842631253 /nfs/dbraw/zinc/63/12/53/842631253.db2.gz HUGIRPCIDJZFTA-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1Cl ZINC000581924571 842703850 /nfs/dbraw/zinc/70/38/50/842703850.db2.gz XCGPULDGKINBFO-UHFFFAOYSA-N 2 1 379.291 3.701 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000652568919 842760188 /nfs/dbraw/zinc/76/01/88/842760188.db2.gz YLKURDAKLOLEQM-UHFFFAOYSA-N 2 1 395.482 3.974 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)C[C@H](C)O1 ZINC000512187527 842839130 /nfs/dbraw/zinc/83/91/30/842839130.db2.gz QSYGUTNSDPLTDM-HOTGVXAUSA-N 2 1 390.959 3.548 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000652611040 842845673 /nfs/dbraw/zinc/84/56/73/842845673.db2.gz VLBJVQQHTNZQBU-GBESFXJTSA-N 2 1 396.535 3.539 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471858939 842888044 /nfs/dbraw/zinc/88/80/44/842888044.db2.gz ISIHAZBXEWZUGI-VXKWHMMOSA-N 2 1 379.548 3.914 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471858939 842888049 /nfs/dbraw/zinc/88/80/49/842888049.db2.gz ISIHAZBXEWZUGI-VXKWHMMOSA-N 2 1 379.548 3.914 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000510544820 842938684 /nfs/dbraw/zinc/93/86/84/842938684.db2.gz JMCJKEPQWQTKBQ-YVNJGZBMSA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000510544820 842938696 /nfs/dbraw/zinc/93/86/96/842938696.db2.gz JMCJKEPQWQTKBQ-YVNJGZBMSA-N 2 1 398.595 3.774 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000510544820 842938704 /nfs/dbraw/zinc/93/87/04/842938704.db2.gz JMCJKEPQWQTKBQ-YVNJGZBMSA-N 2 1 398.595 3.774 20 0 GHADMP c1csc(C[N@@H+](CCc2nsc3ccccc32)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000662269455 843046298 /nfs/dbraw/zinc/04/62/98/843046298.db2.gz DTCYUGYZVOTAJW-GOSISDBHSA-N 2 1 384.574 3.940 20 0 GHADMP c1csc(C[N@H+](CCc2nsc3ccccc32)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000662269455 843046309 /nfs/dbraw/zinc/04/63/09/843046309.db2.gz DTCYUGYZVOTAJW-GOSISDBHSA-N 2 1 384.574 3.940 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)n1CC(F)(F)F ZINC000662292427 843084972 /nfs/dbraw/zinc/08/49/72/843084972.db2.gz FIUSAFREASEVCQ-QGZVFWFLSA-N 2 1 385.474 3.562 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297197 843092792 /nfs/dbraw/zinc/09/27/92/843092792.db2.gz OHVBQFNNVTVAPN-XLIONFOSSA-N 2 1 383.536 3.664 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000510650382 843124802 /nfs/dbraw/zinc/12/48/02/843124802.db2.gz ZXZXOLKNPJYARS-PMACEKPBSA-N 2 1 386.584 3.957 20 0 GHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662314557 843130144 /nfs/dbraw/zinc/13/01/44/843130144.db2.gz NSHRHBAMYAJMDC-DYESRHJHSA-N 2 1 395.551 3.528 20 0 GHADMP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)n2)c1 ZINC000279553192 843132659 /nfs/dbraw/zinc/13/26/59/843132659.db2.gz RAADXFXFBIWTNZ-SJORKVTESA-N 2 1 394.523 3.527 20 0 GHADMP Cc1cccc(C)c1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327314 843157461 /nfs/dbraw/zinc/15/74/61/843157461.db2.gz NCSWUYZQAFPQND-UHFFFAOYSA-N 2 1 382.552 3.752 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512237108 843178109 /nfs/dbraw/zinc/17/81/09/843178109.db2.gz MSEYPDCMBNCLMY-XMMPIXPASA-N 2 1 393.531 3.622 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512237108 843178113 /nfs/dbraw/zinc/17/81/13/843178113.db2.gz MSEYPDCMBNCLMY-XMMPIXPASA-N 2 1 393.531 3.622 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512237108 843178116 /nfs/dbraw/zinc/17/81/16/843178116.db2.gz MSEYPDCMBNCLMY-XMMPIXPASA-N 2 1 393.531 3.622 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662388914 843185122 /nfs/dbraw/zinc/18/51/22/843185122.db2.gz QERLRAPKGAHMDE-JPYJTQIMSA-N 2 1 377.532 3.769 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347722 843271258 /nfs/dbraw/zinc/27/12/58/843271258.db2.gz TYYBJNAJOLEROC-SFHVURJKSA-N 2 1 388.506 3.979 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347722 843271270 /nfs/dbraw/zinc/27/12/70/843271270.db2.gz TYYBJNAJOLEROC-SFHVURJKSA-N 2 1 388.506 3.979 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662460149 843290626 /nfs/dbraw/zinc/29/06/26/843290626.db2.gz QMHIOSKKDKHXBM-XQBPLPMBSA-N 2 1 383.580 3.792 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284744 843318767 /nfs/dbraw/zinc/31/87/67/843318767.db2.gz CTKBIZLIXOCECR-DEOSSOPVSA-N 2 1 388.515 3.877 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284744 843318775 /nfs/dbraw/zinc/31/87/75/843318775.db2.gz CTKBIZLIXOCECR-DEOSSOPVSA-N 2 1 388.515 3.877 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000512284744 843318789 /nfs/dbraw/zinc/31/87/89/843318789.db2.gz CTKBIZLIXOCECR-DEOSSOPVSA-N 2 1 388.515 3.877 20 0 GHADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1Cl ZINC000662491810 843331950 /nfs/dbraw/zinc/33/19/50/843331950.db2.gz ZIYODAMZBITJJT-GOSISDBHSA-N 2 1 384.351 3.777 20 0 GHADMP CC(CC[NH+]1CCC[C@@H](c2cc[nH]n2)C1)CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000662504955 843350339 /nfs/dbraw/zinc/35/03/39/843350339.db2.gz NNOMFXZPGXLNEX-WOJBJXKFSA-N 2 1 384.572 3.608 20 0 GHADMP CC1CCC(N(C)C(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000432669039 843381821 /nfs/dbraw/zinc/38/18/21/843381821.db2.gz KXXJKFVKIOUAAP-LYBXBRPPSA-N 2 1 389.609 3.729 20 0 GHADMP CC1CCC(N(C)C(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000432669039 843381830 /nfs/dbraw/zinc/38/18/30/843381830.db2.gz KXXJKFVKIOUAAP-LYBXBRPPSA-N 2 1 389.609 3.729 20 0 GHADMP CC(=O)c1ccccc1OCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432672612 843406790 /nfs/dbraw/zinc/40/67/90/843406790.db2.gz UTUQCUITYYARNL-OAQYLSRUSA-N 2 1 384.545 3.974 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000512350857 843511165 /nfs/dbraw/zinc/51/11/65/843511165.db2.gz WTDPNOKAMVSNTO-POWJVNAZSA-N 2 1 394.559 3.983 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418684950 843532402 /nfs/dbraw/zinc/53/24/02/843532402.db2.gz YSOPKXFVLMBLKO-NFBKMPQASA-N 2 1 394.563 3.773 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000636911312 843600585 /nfs/dbraw/zinc/60/05/85/843600585.db2.gz ZBQBURKMJNTZIF-GOSISDBHSA-N 2 1 395.551 3.902 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500568734 843652224 /nfs/dbraw/zinc/65/22/24/843652224.db2.gz KUVHYSAEZWBHFB-SCPDWHHUSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)N2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412757 843725602 /nfs/dbraw/zinc/72/56/02/843725602.db2.gz RBRSHHFERZIOBZ-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000500610794 843732039 /nfs/dbraw/zinc/73/20/39/843732039.db2.gz QXLALDHEUVVQCM-VAPSRWTKSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000500662781 843786286 /nfs/dbraw/zinc/78/62/86/843786286.db2.gz ISFGLOZTUXEUOU-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000500662781 843786291 /nfs/dbraw/zinc/78/62/91/843786291.db2.gz ISFGLOZTUXEUOU-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000500662781 843786298 /nfs/dbraw/zinc/78/62/98/843786298.db2.gz ISFGLOZTUXEUOU-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000500670368 843802123 /nfs/dbraw/zinc/80/21/23/843802123.db2.gz UNXPQNBBKOKPRR-HPBDAGMYSA-N 2 1 399.501 3.703 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477943 843958267 /nfs/dbraw/zinc/95/82/67/843958267.db2.gz AQPAFYZHVJIMCT-ZEQKJWHPSA-N 2 1 389.587 3.684 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512647794 844879361 /nfs/dbraw/zinc/87/93/61/844879361.db2.gz JNMDOAGDEZIVND-WXFUMESZSA-N 2 1 391.559 3.827 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512669330 844977750 /nfs/dbraw/zinc/97/77/50/844977750.db2.gz ZNFSMMQXQRXJMC-URYYLNOGSA-N 2 1 397.607 3.960 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000512676815 845003587 /nfs/dbraw/zinc/00/35/87/845003587.db2.gz FCHPLLJJHREGFP-ROUUACIJSA-N 2 1 399.501 3.618 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000544193153 845099175 /nfs/dbraw/zinc/09/91/75/845099175.db2.gz DBUNNURQNRKKHG-HXUWFJFHSA-N 2 1 398.595 3.970 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000512746387 845324247 /nfs/dbraw/zinc/32/42/47/845324247.db2.gz HEYHORGOPTWYOM-UHFFFAOYSA-N 2 1 379.548 3.795 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(OC(C)C)ccc4ccccc43)C2)CC1 ZINC000513479628 845516320 /nfs/dbraw/zinc/51/63/20/845516320.db2.gz OZUSFRXOVUMHHQ-OAQYLSRUSA-N 2 1 381.564 3.839 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513495344 845529533 /nfs/dbraw/zinc/52/95/33/845529533.db2.gz OLOKZAURHOGWPK-QUCCMNQESA-N 2 1 375.520 3.862 20 0 GHADMP COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000513506406 845542690 /nfs/dbraw/zinc/54/26/90/845542690.db2.gz QAJYBBSHLGYUAG-PKOBYXMFSA-N 2 1 382.504 3.814 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000419258145 845571548 /nfs/dbraw/zinc/57/15/48/845571548.db2.gz BBFXNYUMWDBHBR-QZTJIDSGSA-N 2 1 383.580 3.738 20 0 GHADMP COc1ccccc1-n1nccc1CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000430030209 845607846 /nfs/dbraw/zinc/60/78/46/845607846.db2.gz ZWGAXLDBDCNIRB-GOSISDBHSA-N 2 1 396.560 3.944 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000430030209 845607850 /nfs/dbraw/zinc/60/78/50/845607850.db2.gz ZWGAXLDBDCNIRB-GOSISDBHSA-N 2 1 396.560 3.944 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000430030209 845607851 /nfs/dbraw/zinc/60/78/51/845607851.db2.gz ZWGAXLDBDCNIRB-GOSISDBHSA-N 2 1 396.560 3.944 20 0 GHADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000513543378 845633909 /nfs/dbraw/zinc/63/39/09/845633909.db2.gz SDTKNEVJBRWLNL-INIZCTEOSA-N 2 1 392.490 3.966 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2c1C ZINC000472060593 845644150 /nfs/dbraw/zinc/64/41/50/845644150.db2.gz WILBJIIENPVSSB-NFBKMPQASA-N 2 1 377.532 3.757 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2c1C ZINC000472060593 845644151 /nfs/dbraw/zinc/64/41/51/845644151.db2.gz WILBJIIENPVSSB-NFBKMPQASA-N 2 1 377.532 3.757 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472080364 845731829 /nfs/dbraw/zinc/73/18/29/845731829.db2.gz NYHMCNRGZPOUDY-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472080364 845731840 /nfs/dbraw/zinc/73/18/40/845731840.db2.gz NYHMCNRGZPOUDY-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(OC)cc1 ZINC000156913920 845754134 /nfs/dbraw/zinc/75/41/34/845754134.db2.gz VWCIURBQYSHPCK-GMAHTHKFSA-N 2 1 395.547 3.633 20 0 GHADMP CC(C)C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccn1 ZINC000156892030 845761220 /nfs/dbraw/zinc/76/12/20/845761220.db2.gz MLEGIVMKWXMHKA-GMAHTHKFSA-N 2 1 394.563 3.656 20 0 GHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2cccnc2Cl)c1)C1CCOCC1 ZINC000105429771 845990619 /nfs/dbraw/zinc/99/06/19/845990619.db2.gz ZVQDSJJQOVPRJK-UHFFFAOYSA-N 2 1 389.927 3.514 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccnc2Cl)c1)C1CCOCC1 ZINC000105429771 845990626 /nfs/dbraw/zinc/99/06/26/845990626.db2.gz ZVQDSJJQOVPRJK-UHFFFAOYSA-N 2 1 389.927 3.514 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccc1OCc1ccncc1 ZINC000105457031 845995204 /nfs/dbraw/zinc/99/52/04/845995204.db2.gz JTGDGFNXGDIKEZ-OAQYLSRUSA-N 2 1 383.536 3.879 20 0 GHADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000431332687 846024098 /nfs/dbraw/zinc/02/40/98/846024098.db2.gz KXVNCKRDGJPSQL-OAQYLSRUSA-N 2 1 387.568 3.556 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000582030284 846102448 /nfs/dbraw/zinc/10/24/48/846102448.db2.gz LNSPRBCJWMEQJJ-GOSISDBHSA-N 2 1 388.506 3.931 20 0 GHADMP OCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513655041 846197224 /nfs/dbraw/zinc/19/72/24/846197224.db2.gz KRZVFTXDCYGPSA-ICDZXHCJSA-N 2 1 394.559 3.838 20 0 GHADMP Brc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000262052404 846306560 /nfs/dbraw/zinc/30/65/60/846306560.db2.gz QIJXCCDIKWCXID-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP Brc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000262052404 846306566 /nfs/dbraw/zinc/30/65/66/846306566.db2.gz QIJXCCDIKWCXID-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(C4CCC4)cnn3C)CC2)cs1 ZINC000657356726 846502726 /nfs/dbraw/zinc/50/27/26/846502726.db2.gz IFHLEMAUUMPBND-UHFFFAOYSA-N 2 1 387.597 3.708 20 0 GHADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051597 846579964 /nfs/dbraw/zinc/57/99/64/846579964.db2.gz YVOLZVGLLULSOS-FQEVSTJZSA-N 2 1 394.563 3.585 20 0 GHADMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064418 846595751 /nfs/dbraw/zinc/59/57/51/846595751.db2.gz WTBBWTJPITXROS-RBUKOAKNSA-N 2 1 392.547 3.596 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1)c1ccccc1 ZINC000502957039 846663176 /nfs/dbraw/zinc/66/31/76/846663176.db2.gz DRXRFDKGWIVZJU-JBACZVJFSA-N 2 1 384.568 3.576 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000501116599 846663831 /nfs/dbraw/zinc/66/38/31/846663831.db2.gz LAAZYTACDUGFBK-UHFFFAOYSA-N 2 1 385.596 3.782 20 0 GHADMP OC[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccc(F)cc1 ZINC000582240890 846697441 /nfs/dbraw/zinc/69/74/41/846697441.db2.gz RCHOVGDSSBZVOC-GGAORHGYSA-N 2 1 382.523 3.764 20 0 GHADMP OC[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccc(F)cc1 ZINC000582240890 846697443 /nfs/dbraw/zinc/69/74/43/846697443.db2.gz RCHOVGDSSBZVOC-GGAORHGYSA-N 2 1 382.523 3.764 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000501520147 846980495 /nfs/dbraw/zinc/98/04/95/846980495.db2.gz LKCIJSJLPDRMKY-RTBURBONSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000501521955 846982429 /nfs/dbraw/zinc/98/24/29/846982429.db2.gz YXTDHNPKAMOAMP-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc(F)c1F ZINC000431390795 847002278 /nfs/dbraw/zinc/00/22/78/847002278.db2.gz LMKVLURXFYDNGI-UHFFFAOYSA-N 2 1 394.510 3.625 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH2+]C(C)(C)C2)n1 ZINC000420273346 847085309 /nfs/dbraw/zinc/08/53/09/847085309.db2.gz JDRHCSCKGRNWGZ-UHFFFAOYSA-N 2 1 381.549 3.608 20 0 GHADMP C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272534943 847104171 /nfs/dbraw/zinc/10/41/71/847104171.db2.gz PGIGSROAFIWUSR-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420354943 847136316 /nfs/dbraw/zinc/13/63/16/847136316.db2.gz DQIWPPJSQLRINA-IAGOWNOFSA-N 2 1 384.351 3.635 20 0 GHADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000420409987 847173215 /nfs/dbraw/zinc/17/32/15/847173215.db2.gz XUHJPFKXRZPJPB-WXFUMESZSA-N 2 1 391.559 3.551 20 0 GHADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000420409987 847173220 /nfs/dbraw/zinc/17/32/20/847173220.db2.gz XUHJPFKXRZPJPB-WXFUMESZSA-N 2 1 391.559 3.551 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429741 847243477 /nfs/dbraw/zinc/24/34/77/847243477.db2.gz KAFPPSVIBVRJCC-BPUDTRNYSA-N 2 1 380.532 3.855 20 0 GHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501858308 847283247 /nfs/dbraw/zinc/28/32/47/847283247.db2.gz IUJAGVFPYNBYTP-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000422217830 847476616 /nfs/dbraw/zinc/47/66/16/847476616.db2.gz XRQIOKWEKLEISM-LJQANCHMSA-N 2 1 398.595 3.827 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]CCC(=O)Nc1cccnc1)C1CCCCC1 ZINC000582541460 847529818 /nfs/dbraw/zinc/52/98/18/847529818.db2.gz JUSXATSRKKUFLQ-UHFFFAOYSA-N 2 1 380.536 3.965 20 0 GHADMP CN(c1ccccc1)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420912320 847530315 /nfs/dbraw/zinc/53/03/15/847530315.db2.gz HIBFFMMTRAWLKV-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919610 847540752 /nfs/dbraw/zinc/54/07/52/847540752.db2.gz ZNJRSOGLPSKBEQ-XUZZJYLKSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919610 847540760 /nfs/dbraw/zinc/54/07/60/847540760.db2.gz ZNJRSOGLPSKBEQ-XUZZJYLKSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919610 847540764 /nfs/dbraw/zinc/54/07/64/847540764.db2.gz ZNJRSOGLPSKBEQ-XUZZJYLKSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420919610 847540770 /nfs/dbraw/zinc/54/07/70/847540770.db2.gz ZNJRSOGLPSKBEQ-XUZZJYLKSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(-n2cccn2)c1 ZINC000420935345 847554229 /nfs/dbraw/zinc/55/42/29/847554229.db2.gz JUNDEFTUPJWUQO-IBGZPJMESA-N 2 1 376.504 3.555 20 0 GHADMP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937980 847556441 /nfs/dbraw/zinc/55/64/41/847556441.db2.gz MDWHTPPOJVFQPP-JOCHJYFZSA-N 2 1 390.531 3.533 20 0 GHADMP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937980 847556447 /nfs/dbraw/zinc/55/64/47/847556447.db2.gz MDWHTPPOJVFQPP-JOCHJYFZSA-N 2 1 390.531 3.533 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCn3ccc4cc(Cl)ccc43)CC2)CC1 ZINC000420979172 847605764 /nfs/dbraw/zinc/60/57/64/847605764.db2.gz JXOXTXADYUHUFO-UHFFFAOYSA-N 2 1 388.987 3.787 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000502235476 847645350 /nfs/dbraw/zinc/64/53/50/847645350.db2.gz RTNJFYPENPNTHT-UHFFFAOYSA-N 2 1 378.605 3.549 20 0 GHADMP COc1ccc([C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422721817 847795921 /nfs/dbraw/zinc/79/59/21/847795921.db2.gz WAVICWBEPUQQQO-ZODMCCGTSA-N 2 1 393.575 3.643 20 0 GHADMP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000414502149 847811859 /nfs/dbraw/zinc/81/18/59/847811859.db2.gz IUHAYWXOGFPGOP-RBBKRZOGSA-N 2 1 384.568 3.728 20 0 GHADMP Fc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)c1 ZINC000422765063 847824661 /nfs/dbraw/zinc/82/46/61/847824661.db2.gz QCGWLRIVOJRHON-IEBWSBKVSA-N 2 1 391.284 3.934 20 0 GHADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000422801915 847829531 /nfs/dbraw/zinc/82/95/31/847829531.db2.gz COGDKASTNAVALI-XZJROXQQSA-N 2 1 385.455 3.671 20 0 GHADMP C[C@H](CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422822574 847840760 /nfs/dbraw/zinc/84/07/60/847840760.db2.gz KDLMURVETRFSRA-UCFCWBNQSA-N 2 1 379.548 3.743 20 0 GHADMP C[C@H](CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000422822574 847840768 /nfs/dbraw/zinc/84/07/68/847840768.db2.gz KDLMURVETRFSRA-UCFCWBNQSA-N 3 1 379.548 3.743 20 0 GHADMP C[C@H](CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422822574 847840779 /nfs/dbraw/zinc/84/07/79/847840779.db2.gz KDLMURVETRFSRA-UCFCWBNQSA-N 3 1 379.548 3.743 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422831976 847845583 /nfs/dbraw/zinc/84/55/83/847845583.db2.gz XBXNERKDEFHNEN-YJBOKZPZSA-N 2 1 389.927 3.534 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2ccc(Br)cc2)CC1)c1c[nH+]ccc1N ZINC000422891630 847869429 /nfs/dbraw/zinc/86/94/29/847869429.db2.gz LAKQZJUHQJFNSC-AWEZNQCLSA-N 2 1 389.341 3.572 20 0 GHADMP O=C(C[N@H+]1CC[C@@H](c2ccccc2F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000503653417 847874625 /nfs/dbraw/zinc/87/46/25/847874625.db2.gz DKEIPRZJEOZIID-OAQYLSRUSA-N 2 1 395.522 3.527 20 0 GHADMP O=C(C[N@@H+]1CC[C@@H](c2ccccc2F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000503653417 847874631 /nfs/dbraw/zinc/87/46/31/847874631.db2.gz DKEIPRZJEOZIID-OAQYLSRUSA-N 2 1 395.522 3.527 20 0 GHADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1OC ZINC000502420105 847877819 /nfs/dbraw/zinc/87/78/19/847877819.db2.gz YJEWDEWDRJITLE-LJQANCHMSA-N 2 1 390.568 3.568 20 0 GHADMP Fc1cccc(OC(F)F)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422924567 847891835 /nfs/dbraw/zinc/89/18/35/847891835.db2.gz ZAOUUQPQMDELBF-JXFKEZNVSA-N 2 1 378.394 3.773 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000503734993 847927381 /nfs/dbraw/zinc/92/73/81/847927381.db2.gz KJQHIKNYJNFEKD-DENIHFKCSA-N 2 1 394.563 3.814 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000503734993 847927387 /nfs/dbraw/zinc/92/73/87/847927387.db2.gz KJQHIKNYJNFEKD-DENIHFKCSA-N 2 1 394.563 3.814 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423044962 847953932 /nfs/dbraw/zinc/95/39/32/847953932.db2.gz RNDAATKCZCXYGB-VUHNXCBZSA-N 3 1 391.559 3.743 20 0 GHADMP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423044962 847953939 /nfs/dbraw/zinc/95/39/39/847953939.db2.gz RNDAATKCZCXYGB-VUHNXCBZSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423044962 847953947 /nfs/dbraw/zinc/95/39/47/847953947.db2.gz RNDAATKCZCXYGB-VUHNXCBZSA-N 2 1 391.559 3.743 20 0 GHADMP FC(F)(F)c1ccc(OCCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000423072520 847963687 /nfs/dbraw/zinc/96/36/87/847963687.db2.gz JNMPARQPZCXQPJ-QZTJIDSGSA-N 2 1 379.426 3.952 20 0 GHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000075324784 848170038 /nfs/dbraw/zinc/17/00/38/848170038.db2.gz OWHDOODQXNJINB-JTHBVZDNSA-N 2 1 379.548 3.660 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000075324784 848170057 /nfs/dbraw/zinc/17/00/57/848170057.db2.gz OWHDOODQXNJINB-JTHBVZDNSA-N 2 1 379.548 3.660 20 0 GHADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237476277 848287750 /nfs/dbraw/zinc/28/77/50/848287750.db2.gz XVGGADAOJUFJHV-DNVFCKCGSA-N 2 1 379.548 3.871 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Br)c1 ZINC000657595391 848288477 /nfs/dbraw/zinc/28/84/77/848288477.db2.gz HVOVUSHWAVUHKC-IBGZPJMESA-N 2 1 389.337 3.614 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)ccc4cccnc43)cc2)C1 ZINC000657596485 848290454 /nfs/dbraw/zinc/29/04/54/848290454.db2.gz NPOGJBTZTBTIJT-LJQANCHMSA-N 2 1 381.907 3.745 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccc12 ZINC000657595752 848292142 /nfs/dbraw/zinc/29/21/42/848292142.db2.gz RYAZJFHDZYSBLH-OAQYLSRUSA-N 2 1 376.500 3.705 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000582904141 848675955 /nfs/dbraw/zinc/67/59/55/848675955.db2.gz DDDLEBZLJGMGIK-JOCHJYFZSA-N 2 1 395.522 3.732 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000582904141 848675962 /nfs/dbraw/zinc/67/59/62/848675962.db2.gz DDDLEBZLJGMGIK-JOCHJYFZSA-N 2 1 395.522 3.732 20 0 GHADMP CCc1cccc(N[C@@H](Cc2ccccc2)[C@@H](O)C[C@@H]([NH3+])Cc2ccccc2)[nH+]1 ZINC001167639210 848707923 /nfs/dbraw/zinc/70/79/23/848707923.db2.gz VWTXJLIZHMWXHU-XWGVYQGASA-N 2 1 389.543 3.988 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1F ZINC000153732325 848959071 /nfs/dbraw/zinc/95/90/71/848959071.db2.gz BLKBPMWVYZFIQE-OAHLLOKOSA-N 2 1 376.439 3.751 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)c1OC ZINC000583087640 849036298 /nfs/dbraw/zinc/03/62/98/849036298.db2.gz ZBCXJQDRMLOOJJ-HOTGVXAUSA-N 2 1 387.549 3.649 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000531117250 849192692 /nfs/dbraw/zinc/19/26/92/849192692.db2.gz RAWAIUGEUSAONN-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000531117250 849192704 /nfs/dbraw/zinc/19/27/04/849192704.db2.gz RAWAIUGEUSAONN-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP CCCCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H](C)c1ccc(C)o1 ZINC000604208753 861993816 /nfs/dbraw/zinc/99/38/16/861993816.db2.gz MNCXPEYLDGLTGU-RBUKOAKNSA-N 2 1 390.572 3.629 20 0 GHADMP CCCCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccc(C)o1 ZINC000604208753 861993824 /nfs/dbraw/zinc/99/38/24/861993824.db2.gz MNCXPEYLDGLTGU-RBUKOAKNSA-N 2 1 390.572 3.629 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000162726905 849391213 /nfs/dbraw/zinc/39/12/13/849391213.db2.gz WNSNOGRKPKNCQQ-INIZCTEOSA-N 2 1 387.524 3.871 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000472285469 849601916 /nfs/dbraw/zinc/60/19/16/849601916.db2.gz KDFIAONNMHHRKG-LJQANCHMSA-N 2 1 377.916 3.928 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000472285469 849601918 /nfs/dbraw/zinc/60/19/18/849601918.db2.gz KDFIAONNMHHRKG-LJQANCHMSA-N 2 1 377.916 3.928 20 0 GHADMP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000423101102 849743754 /nfs/dbraw/zinc/74/37/54/849743754.db2.gz IANMKESVMHYAJB-BNWQVIHTSA-N 3 1 379.976 3.597 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@@H](C)C1 ZINC000503924258 849764743 /nfs/dbraw/zinc/76/47/43/849764743.db2.gz HWAPFHCUXUVITR-LAUBAEHRSA-N 2 1 375.532 3.966 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2cnc3n2CCCC3)CC1)CC(C)C ZINC000583399922 849799994 /nfs/dbraw/zinc/79/99/94/849799994.db2.gz DGGMWBAFYLJHMK-UHFFFAOYSA-N 2 1 389.588 3.509 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1)CC(C)C ZINC000583399922 849800001 /nfs/dbraw/zinc/80/00/01/849800001.db2.gz DGGMWBAFYLJHMK-UHFFFAOYSA-N 2 1 389.588 3.509 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1)CC(C)C ZINC000583399922 849800009 /nfs/dbraw/zinc/80/00/09/849800009.db2.gz DGGMWBAFYLJHMK-UHFFFAOYSA-N 2 1 389.588 3.509 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)s2)cc1OC ZINC000423267307 849843851 /nfs/dbraw/zinc/84/38/51/849843851.db2.gz FFGQGPSSRGCDKW-BBRMVZONSA-N 2 1 377.554 3.693 20 0 GHADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434894185 849863696 /nfs/dbraw/zinc/86/36/96/849863696.db2.gz FTEDDIQGTXWXNP-HYBUGGRVSA-N 2 1 391.559 3.777 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC3([NH3+])CCC3)s2)cc1OC ZINC000423342615 849875064 /nfs/dbraw/zinc/87/50/64/849875064.db2.gz ZAVVLRAKTNGDTB-ZDUSSCGKSA-N 2 1 375.538 3.592 20 0 GHADMP CN(c1ccccc1CN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000434993394 849979719 /nfs/dbraw/zinc/97/97/19/849979719.db2.gz YODOECMIIAQJBL-VWLOTQADSA-N 2 1 392.591 3.706 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCN(C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000434993394 849979725 /nfs/dbraw/zinc/97/97/25/849979725.db2.gz YODOECMIIAQJBL-VWLOTQADSA-N 2 1 392.591 3.706 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCN(C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000434993394 849979732 /nfs/dbraw/zinc/97/97/32/849979732.db2.gz YODOECMIIAQJBL-VWLOTQADSA-N 2 1 392.591 3.706 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000504397568 850051522 /nfs/dbraw/zinc/05/15/22/850051522.db2.gz WOZJCKYUMQZJAP-RBBKRZOGSA-N 2 1 388.600 3.800 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000664372843 850144143 /nfs/dbraw/zinc/14/41/43/850144143.db2.gz BBOQGZXDZDYRCZ-QFIPXVFZSA-N 2 1 380.536 3.529 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000664373824 850146527 /nfs/dbraw/zinc/14/65/27/850146527.db2.gz QFILWYBCWMOBKJ-XLIONFOSSA-N 2 1 395.551 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000664373824 850146534 /nfs/dbraw/zinc/14/65/34/850146534.db2.gz QFILWYBCWMOBKJ-XLIONFOSSA-N 2 1 395.551 3.663 20 0 GHADMP Clc1cc(I)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000424165014 850271794 /nfs/dbraw/zinc/27/17/94/850271794.db2.gz DAEZXQHSRGIAHP-HUUCEWRRSA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(I)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000424165014 850271807 /nfs/dbraw/zinc/27/18/07/850271807.db2.gz DAEZXQHSRGIAHP-HUUCEWRRSA-N 2 1 390.696 3.661 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487217536 850570353 /nfs/dbraw/zinc/57/03/53/850570353.db2.gz GUPZMWRNQAPUSR-CTNGQTDRSA-N 2 1 395.950 3.851 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487217536 850570361 /nfs/dbraw/zinc/57/03/61/850570361.db2.gz GUPZMWRNQAPUSR-CTNGQTDRSA-N 2 1 395.950 3.851 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(F)cc1Cl ZINC000487268388 850628918 /nfs/dbraw/zinc/62/89/18/850628918.db2.gz MEMWLMQHUTUVJI-HNNXBMFYSA-N 2 1 384.927 3.667 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)CC1 ZINC000505132848 850634534 /nfs/dbraw/zinc/63/45/34/850634534.db2.gz FHGQLUVWWDWEKH-XPPIMPSXSA-N 2 1 383.580 3.810 20 0 GHADMP CCOc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000487565324 850726606 /nfs/dbraw/zinc/72/66/06/850726606.db2.gz YBCYCFOUVWLWOK-HXUWFJFHSA-N 2 1 388.939 3.985 20 0 GHADMP COc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc(OC)c1OC ZINC000487681422 850823317 /nfs/dbraw/zinc/82/33/17/850823317.db2.gz WVVRJYTZYKWYOQ-UHFFFAOYSA-N 2 1 393.487 3.583 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000667944803 862177643 /nfs/dbraw/zinc/17/76/43/862177643.db2.gz FDLBHXWAULLGJQ-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000515414081 850995477 /nfs/dbraw/zinc/99/54/77/850995477.db2.gz AMIOWFSNNHSBAR-AVRDEDQJSA-N 2 1 379.504 3.524 20 0 GHADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)c2ccccc2C1 ZINC000505418377 851078864 /nfs/dbraw/zinc/07/88/64/851078864.db2.gz AYAJBLFGMCKDPE-HXUWFJFHSA-N 2 1 381.495 3.516 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)c2ccccc2C1 ZINC000505418377 851078872 /nfs/dbraw/zinc/07/88/72/851078872.db2.gz AYAJBLFGMCKDPE-HXUWFJFHSA-N 2 1 381.495 3.516 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c2ccccc2C1 ZINC000505418377 851078880 /nfs/dbraw/zinc/07/88/80/851078880.db2.gz AYAJBLFGMCKDPE-HXUWFJFHSA-N 2 1 381.495 3.516 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2ccccc2C1 ZINC000505418377 851078888 /nfs/dbraw/zinc/07/88/88/851078888.db2.gz AYAJBLFGMCKDPE-HXUWFJFHSA-N 2 1 381.495 3.516 20 0 GHADMP Cc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000569979432 851150036 /nfs/dbraw/zinc/15/00/36/851150036.db2.gz SZLCOFOFJPWASH-PKTZIBPZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000569979432 851150039 /nfs/dbraw/zinc/15/00/39/851150039.db2.gz SZLCOFOFJPWASH-PKTZIBPZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000569979432 851150044 /nfs/dbraw/zinc/15/00/44/851150044.db2.gz SZLCOFOFJPWASH-PKTZIBPZSA-N 2 1 387.531 3.530 20 0 GHADMP CCC1(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021510 851155428 /nfs/dbraw/zinc/15/54/28/851155428.db2.gz AJDCOFVTJXRRIN-TZIWHRDSSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(Cl)ccc(C)c1C ZINC000434474280 851162938 /nfs/dbraw/zinc/16/29/38/851162938.db2.gz MTSVISOBMSLWCK-KRWDZBQOSA-N 2 1 380.964 3.837 20 0 GHADMP C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000488164506 851217754 /nfs/dbraw/zinc/21/77/54/851217754.db2.gz GZDUDDYGRSLXNZ-HXUWFJFHSA-N 2 1 398.595 3.688 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000514097081 851258311 /nfs/dbraw/zinc/25/83/11/851258311.db2.gz ZTQBFCQTHGGAJJ-WXFUMESZSA-N 2 1 391.559 3.887 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1Cl ZINC000514173802 851349829 /nfs/dbraw/zinc/34/98/29/851349829.db2.gz YWBHZFWCSOCQPX-IBGZPJMESA-N 2 1 380.964 3.506 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1Cl ZINC000514173802 851349839 /nfs/dbraw/zinc/34/98/39/851349839.db2.gz YWBHZFWCSOCQPX-IBGZPJMESA-N 2 1 380.964 3.506 20 0 GHADMP Fc1ccc(-n2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c3c2CCC3)cc1 ZINC000488293106 851366892 /nfs/dbraw/zinc/36/68/92/851366892.db2.gz JBFGZAIMRQRWRM-UHFFFAOYSA-N 2 1 382.527 3.808 20 0 GHADMP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688364 851479730 /nfs/dbraw/zinc/47/97/30/851479730.db2.gz LIJJFUGCUQLQAF-QGZVFWFLSA-N 2 1 398.526 3.585 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-n3ccnc3)cc2)C[C@H](C)O1 ZINC000048816691 851498503 /nfs/dbraw/zinc/49/85/03/851498503.db2.gz NEVXZKFAGMXWEE-BGYRXZFFSA-N 2 1 390.531 3.771 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000111241110 851578047 /nfs/dbraw/zinc/57/80/47/851578047.db2.gz PMPNIJCCFWQJSV-MRXNPFEDSA-N 2 1 375.340 3.539 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550202295 851905860 /nfs/dbraw/zinc/90/58/60/851905860.db2.gz YFRMDCOBXUMFGW-QLVMHMETSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550202295 851905863 /nfs/dbraw/zinc/90/58/63/851905863.db2.gz YFRMDCOBXUMFGW-QLVMHMETSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550202295 851905867 /nfs/dbraw/zinc/90/58/67/851905867.db2.gz YFRMDCOBXUMFGW-QLVMHMETSA-N 2 1 395.950 3.853 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]1(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979292 851939618 /nfs/dbraw/zinc/93/96/18/851939618.db2.gz ZRGKNEQRMZAKON-SOUXKNCUSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748480 852084204 /nfs/dbraw/zinc/08/42/04/852084204.db2.gz LTLFKCOHVNMKNI-FWQUBQDQSA-N 2 1 377.573 3.722 20 0 GHADMP C[NH+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894748480 852084205 /nfs/dbraw/zinc/08/42/05/852084205.db2.gz LTLFKCOHVNMKNI-FWQUBQDQSA-N 2 1 377.573 3.722 20 0 GHADMP C[NH+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894748480 852084207 /nfs/dbraw/zinc/08/42/07/852084207.db2.gz LTLFKCOHVNMKNI-FWQUBQDQSA-N 2 1 377.573 3.722 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000102037781 852104351 /nfs/dbraw/zinc/10/43/51/852104351.db2.gz HFHFUYGIQLYJSO-OAQYLSRUSA-N 2 1 398.551 3.676 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000489233961 852151727 /nfs/dbraw/zinc/15/17/27/852151727.db2.gz RDHKAWKIEZOQPJ-PGRDOPGGSA-N 2 1 382.552 3.629 20 0 GHADMP C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000517639272 852195973 /nfs/dbraw/zinc/19/59/73/852195973.db2.gz HERQTZTYCQYAHB-GOSISDBHSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000517639272 852195978 /nfs/dbraw/zinc/19/59/78/852195978.db2.gz HERQTZTYCQYAHB-GOSISDBHSA-N 2 1 397.588 3.523 20 0 GHADMP CCCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516179553 852249821 /nfs/dbraw/zinc/24/98/21/852249821.db2.gz YLMGCVNYJLWGPI-HSZRJFAPSA-N 2 1 394.563 3.732 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000517740592 852329516 /nfs/dbraw/zinc/32/95/16/852329516.db2.gz WRTOHNKTTINEAK-VAMGGRTRSA-N 2 1 380.621 3.506 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3conc3Cc3ccccc3)CC2)oc1C ZINC000516303718 852404693 /nfs/dbraw/zinc/40/46/93/852404693.db2.gz KOYUSLUGAZSZFV-UHFFFAOYSA-N 2 1 394.519 3.872 20 0 GHADMP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489564781 852460723 /nfs/dbraw/zinc/46/07/23/852460723.db2.gz GHEMTZRQSGISCZ-FQEVSTJZSA-N 2 1 385.596 3.915 20 0 GHADMP O=C1CCC2(CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)N1CC1CC1 ZINC001167961460 852541894 /nfs/dbraw/zinc/54/18/94/852541894.db2.gz LLGPMHSZGXPFFK-QSCOUWLOSA-N 2 1 385.596 3.695 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000426991810 852596407 /nfs/dbraw/zinc/59/64/07/852596407.db2.gz OPHAVHFMTCBUTP-QHCPKHFHSA-N 2 1 387.527 3.527 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000426991810 852596414 /nfs/dbraw/zinc/59/64/14/852596414.db2.gz OPHAVHFMTCBUTP-QHCPKHFHSA-N 2 1 387.527 3.527 20 0 GHADMP Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000427090860 852717819 /nfs/dbraw/zinc/71/78/19/852717819.db2.gz AEFYZOQXEQJPPB-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490249932 852867749 /nfs/dbraw/zinc/86/77/49/852867749.db2.gz QSOYURIWFHXDOB-WMZOPIPTSA-N 2 1 391.357 3.536 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)NCc2ccccc2)CC1 ZINC000438833768 852944350 /nfs/dbraw/zinc/94/43/50/852944350.db2.gz GUCOPPHUJQUALF-UHFFFAOYSA-N 2 1 379.548 3.726 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000516765440 852974502 /nfs/dbraw/zinc/97/45/02/852974502.db2.gz CVJYECVZWZXSGF-CVDCTZTESA-N 2 1 379.548 3.838 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000516765440 852974511 /nfs/dbraw/zinc/97/45/11/852974511.db2.gz CVJYECVZWZXSGF-CVDCTZTESA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000518168229 853007306 /nfs/dbraw/zinc/00/73/06/853007306.db2.gz AIEKTCDCCJFJGT-CVEARBPZSA-N 2 1 389.367 3.835 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000516890124 853121394 /nfs/dbraw/zinc/12/13/94/853121394.db2.gz WDWVGVMRRJSEFO-ZZYHAFTGSA-N 2 1 392.591 3.792 20 0 GHADMP CC[C@]1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]1 ZINC000518376887 853274455 /nfs/dbraw/zinc/27/44/55/853274455.db2.gz FPUNLRUYKQNDRK-LJQANCHMSA-N 2 1 384.351 3.606 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000439143908 853339335 /nfs/dbraw/zinc/33/93/35/853339335.db2.gz VITMBNULHLOKBL-MDNUFGMLSA-N 2 1 393.579 3.577 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000426288536 853342071 /nfs/dbraw/zinc/34/20/71/853342071.db2.gz JKJGCXQIYJCMRH-NFBKMPQASA-N 2 1 384.495 3.651 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963908 853374458 /nfs/dbraw/zinc/37/44/58/853374458.db2.gz IMQURMMCRLIKJU-SQJMNOBHSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963908 853374465 /nfs/dbraw/zinc/37/44/65/853374465.db2.gz IMQURMMCRLIKJU-SQJMNOBHSA-N 2 1 393.575 3.723 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCc1ccccc1Cl ZINC000491060059 853431019 /nfs/dbraw/zinc/43/10/19/853431019.db2.gz KCRVKJAEUSIXCI-IBGZPJMESA-N 2 1 391.987 3.934 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623862424 862464764 /nfs/dbraw/zinc/46/47/64/862464764.db2.gz SYCUNYLIMKQXDR-QGZVFWFLSA-N 2 1 382.390 3.826 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCc3sccc3C2)cc1 ZINC000570887224 853490164 /nfs/dbraw/zinc/49/01/64/853490164.db2.gz XDGKXFSUYMYIOE-MRXNPFEDSA-N 2 1 394.544 3.868 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473885663 853499585 /nfs/dbraw/zinc/49/95/85/853499585.db2.gz OCCQUYDXUUPHBD-HLAWJBBLSA-N 2 1 398.551 3.749 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473885663 853499588 /nfs/dbraw/zinc/49/95/88/853499588.db2.gz OCCQUYDXUUPHBD-HLAWJBBLSA-N 2 1 398.551 3.749 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000604785355 862480743 /nfs/dbraw/zinc/48/07/43/862480743.db2.gz HMKMCYAWCPSAFS-HSALFYBXSA-N 2 1 386.584 3.774 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000506598591 853712948 /nfs/dbraw/zinc/71/29/48/853712948.db2.gz UYXREFDOPRQVKH-SBHAEUEKSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000506598591 853712969 /nfs/dbraw/zinc/71/29/69/853712969.db2.gz UYXREFDOPRQVKH-SBHAEUEKSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000506598591 853712975 /nfs/dbraw/zinc/71/29/75/853712975.db2.gz UYXREFDOPRQVKH-SBHAEUEKSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000506598591 853712982 /nfs/dbraw/zinc/71/29/82/853712982.db2.gz UYXREFDOPRQVKH-SBHAEUEKSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891165 862505277 /nfs/dbraw/zinc/50/52/77/862505277.db2.gz GCFBNZAXNBJKIB-STQMWFEESA-N 2 1 391.300 3.615 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000571710106 853996604 /nfs/dbraw/zinc/99/66/04/853996604.db2.gz GFHYINGYHVEQFD-PGRDOPGGSA-N 2 1 387.543 3.513 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000441272518 854059437 /nfs/dbraw/zinc/05/94/37/854059437.db2.gz VJPVWOHJXSYKML-QRWLVFNGSA-N 2 1 397.485 3.689 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000520405228 854175085 /nfs/dbraw/zinc/17/50/85/854175085.db2.gz VIUGPUFLZQOENF-NRFANRHFSA-N 2 1 392.632 3.796 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000520405228 854175095 /nfs/dbraw/zinc/17/50/95/854175095.db2.gz VIUGPUFLZQOENF-NRFANRHFSA-N 2 1 392.632 3.796 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000520405228 854175102 /nfs/dbraw/zinc/17/51/02/854175102.db2.gz VIUGPUFLZQOENF-NRFANRHFSA-N 2 1 392.632 3.796 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000441414326 854193978 /nfs/dbraw/zinc/19/39/78/854193978.db2.gz JSAYUQFNXJFGDO-BEFAXECRSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000441414326 854193983 /nfs/dbraw/zinc/19/39/83/854193983.db2.gz JSAYUQFNXJFGDO-BEFAXECRSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000441414326 854193986 /nfs/dbraw/zinc/19/39/86/854193986.db2.gz JSAYUQFNXJFGDO-BEFAXECRSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000441414326 854193991 /nfs/dbraw/zinc/19/39/91/854193991.db2.gz JSAYUQFNXJFGDO-BEFAXECRSA-N 2 1 391.943 3.626 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441406227 854203414 /nfs/dbraw/zinc/20/34/14/854203414.db2.gz XDJSFJMRIDRVSD-JMUQELJHSA-N 2 1 386.580 3.673 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441406227 854203421 /nfs/dbraw/zinc/20/34/21/854203421.db2.gz XDJSFJMRIDRVSD-JMUQELJHSA-N 2 1 386.580 3.673 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441406227 854203428 /nfs/dbraw/zinc/20/34/28/854203428.db2.gz XDJSFJMRIDRVSD-JMUQELJHSA-N 2 1 386.580 3.673 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000112660107 854285040 /nfs/dbraw/zinc/28/50/40/854285040.db2.gz QMIHSJPOIOPZBQ-FQEVSTJZSA-N 2 1 385.552 3.662 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000112660107 854285045 /nfs/dbraw/zinc/28/50/45/854285045.db2.gz QMIHSJPOIOPZBQ-FQEVSTJZSA-N 2 1 385.552 3.662 20 0 GHADMP Cc1ccc2nc(C3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC3)nn2c1 ZINC001167991379 854286774 /nfs/dbraw/zinc/28/67/74/854286774.db2.gz ACNKXKBQPVTUQG-WCRBZPEASA-N 2 1 379.552 3.623 20 0 GHADMP FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000572126415 854404067 /nfs/dbraw/zinc/40/40/67/854404067.db2.gz DQDRQUMXPDESDR-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000572126415 854404074 /nfs/dbraw/zinc/40/40/74/854404074.db2.gz DQDRQUMXPDESDR-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000572409442 854482192 /nfs/dbraw/zinc/48/21/92/854482192.db2.gz NPAYKBQMYWWLJH-UHFFFAOYSA-N 2 1 381.442 3.981 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978494 854497578 /nfs/dbraw/zinc/49/75/78/854497578.db2.gz STFGMYYICDVMHI-NZSAHSFTSA-N 2 1 377.960 3.571 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000074319703 854741649 /nfs/dbraw/zinc/74/16/49/854741649.db2.gz KCWLELRVBJIBNV-OAQYLSRUSA-N 2 1 375.532 3.589 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000074319703 854741652 /nfs/dbraw/zinc/74/16/52/854741652.db2.gz KCWLELRVBJIBNV-OAQYLSRUSA-N 2 1 375.532 3.589 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000589205246 854749098 /nfs/dbraw/zinc/74/90/98/854749098.db2.gz YWVOHBHTNSATPR-ZWKOTPCHSA-N 2 1 380.602 3.551 20 0 GHADMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441448037 854902426 /nfs/dbraw/zinc/90/24/26/854902426.db2.gz FXDWUJATTFMINZ-ZJSXRUAMSA-N 2 1 394.559 3.901 20 0 GHADMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441448037 854902434 /nfs/dbraw/zinc/90/24/34/854902434.db2.gz FXDWUJATTFMINZ-ZJSXRUAMSA-N 2 1 394.559 3.901 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCC([NH3+])(c4ccccc4OC)CC3)CCO2)cc1 ZINC001168616717 855057008 /nfs/dbraw/zinc/05/70/08/855057008.db2.gz OCHBSLFCGLVUCL-CVDCTZTESA-N 2 1 396.531 3.874 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441466712 855069663 /nfs/dbraw/zinc/06/96/63/855069663.db2.gz UIMAJIZUXBHDJO-IRLDBZIGSA-N 2 1 388.596 3.840 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441466712 855069666 /nfs/dbraw/zinc/06/96/66/855069666.db2.gz UIMAJIZUXBHDJO-IRLDBZIGSA-N 2 1 388.596 3.840 20 0 GHADMP CC(C)[N@H+](C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001168395392 855168911 /nfs/dbraw/zinc/16/89/11/855168911.db2.gz YKMWRXSQADBOLT-HXUWFJFHSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)[N@@H+](C1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001168395392 855168918 /nfs/dbraw/zinc/16/89/18/855168918.db2.gz YKMWRXSQADBOLT-HXUWFJFHSA-N 2 1 379.589 3.971 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190605011 855508635 /nfs/dbraw/zinc/50/86/35/855508635.db2.gz VTIVITJAXVEAGJ-RHSMWYFYSA-N 2 1 387.387 3.788 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000573040200 855699914 /nfs/dbraw/zinc/69/99/14/855699914.db2.gz VMJUSPKSOJTTBK-HNNXBMFYSA-N 2 1 399.348 3.754 20 0 GHADMP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000542786041 855793270 /nfs/dbraw/zinc/79/32/70/855793270.db2.gz XRXADRIUTPGTLE-SIKLNZKXSA-N 2 1 380.536 3.592 20 0 GHADMP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000542786040 855793653 /nfs/dbraw/zinc/79/36/53/855793653.db2.gz XRXADRIUTPGTLE-KNQAVFIVSA-N 2 1 380.536 3.592 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000573079040 855857101 /nfs/dbraw/zinc/85/71/01/855857101.db2.gz PNUPGXDGDKZSQW-GGAORHGYSA-N 3 1 387.531 3.530 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)cs1 ZINC000921724881 856062235 /nfs/dbraw/zinc/06/22/35/856062235.db2.gz LUZDNFWXJKBXGY-GUDVDZBRSA-N 2 1 377.598 3.712 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000765910498 856072907 /nfs/dbraw/zinc/07/29/07/856072907.db2.gz ZXHODDVZXKEINE-MDASCCDHSA-N 2 1 389.367 3.753 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000765910499 856073176 /nfs/dbraw/zinc/07/31/76/856073176.db2.gz ZXHODDVZXKEINE-ZOCIIQOWSA-N 2 1 389.367 3.753 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000030637897 856120315 /nfs/dbraw/zinc/12/03/15/856120315.db2.gz YCOAGEYOLODNAF-IBGZPJMESA-N 2 1 379.548 3.705 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905122147 856168873 /nfs/dbraw/zinc/16/88/73/856168873.db2.gz LIPBAVVJRHVVAL-FOVJLYNBSA-N 2 1 382.548 3.676 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000250071729 856309806 /nfs/dbraw/zinc/30/98/06/856309806.db2.gz RRENYKCYPXZIPJ-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000250071729 856309818 /nfs/dbraw/zinc/30/98/18/856309818.db2.gz RRENYKCYPXZIPJ-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000250071729 856309831 /nfs/dbraw/zinc/30/98/31/856309831.db2.gz RRENYKCYPXZIPJ-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000187023410 856395033 /nfs/dbraw/zinc/39/50/33/856395033.db2.gz OOKCLKMBYXCODO-DYESRHJHSA-N 2 1 386.536 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@H](C)C1 ZINC000187023410 856395041 /nfs/dbraw/zinc/39/50/41/856395041.db2.gz OOKCLKMBYXCODO-DYESRHJHSA-N 2 1 386.536 3.636 20 0 GHADMP C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385837 856425966 /nfs/dbraw/zinc/42/59/66/856425966.db2.gz OLUJTQKEGAWGOD-DSKINZAPSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485385837 856425974 /nfs/dbraw/zinc/42/59/74/856425974.db2.gz OLUJTQKEGAWGOD-DSKINZAPSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385837 856425979 /nfs/dbraw/zinc/42/59/79/856425979.db2.gz OLUJTQKEGAWGOD-DSKINZAPSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000172593587 856496170 /nfs/dbraw/zinc/49/61/70/856496170.db2.gz HJQJUQMQIINQEC-FQEVSTJZSA-N 2 1 398.595 3.872 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CC(C)C)CC(F)(F)F)cc1 ZINC000542883267 856602115 /nfs/dbraw/zinc/60/21/15/856602115.db2.gz OMEXRGXIKUXPLU-HNNXBMFYSA-N 2 1 396.457 3.878 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427708968 856619648 /nfs/dbraw/zinc/61/96/48/856619648.db2.gz DZNMOKIWPOEMFR-VAMGGRTRSA-N 2 1 397.485 3.835 20 0 GHADMP COc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000485478142 856627506 /nfs/dbraw/zinc/62/75/06/856627506.db2.gz SSXVQFPYPOZTNO-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP COc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000485478142 856627510 /nfs/dbraw/zinc/62/75/10/856627510.db2.gz SSXVQFPYPOZTNO-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000045757658 856761267 /nfs/dbraw/zinc/76/12/67/856761267.db2.gz UKVNKZCHQSUSPL-VQTJNVASSA-N 2 1 386.584 3.522 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000766068974 856799215 /nfs/dbraw/zinc/79/92/15/856799215.db2.gz QILBAHCSZBGCHS-ZOCIIQOWSA-N 2 1 389.367 3.753 20 0 GHADMP Cc1cn2cc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)ccc2n1 ZINC000509211791 862842209 /nfs/dbraw/zinc/84/22/09/862842209.db2.gz OKEULTYPFHHJRK-GOSISDBHSA-N 2 1 384.430 3.739 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)c1cc(C[NH3+])ccn1)c1cccc(C(F)(F)F)c1 ZINC000906226534 856939698 /nfs/dbraw/zinc/93/96/98/856939698.db2.gz CZEKHTZZUQHLMF-GOSISDBHSA-N 2 1 394.441 3.605 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000156546470 857006012 /nfs/dbraw/zinc/00/60/12/857006012.db2.gz CVTACBBECUQKFK-UHFFFAOYSA-N 2 1 397.407 3.841 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428067140 857077332 /nfs/dbraw/zinc/07/73/32/857077332.db2.gz QQUWNUPRQIEAOM-OAQYLSRUSA-N 2 1 382.552 3.815 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428067140 857077342 /nfs/dbraw/zinc/07/73/42/857077342.db2.gz QQUWNUPRQIEAOM-OAQYLSRUSA-N 2 1 382.552 3.815 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000675195162 857079467 /nfs/dbraw/zinc/07/94/67/857079467.db2.gz SYHRGLOEWRDTTB-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccsc2)CC1 ZINC000485887269 857192438 /nfs/dbraw/zinc/19/24/38/857192438.db2.gz GLPMSLDRYUJNGB-XMSQKQJNSA-N 2 1 397.588 3.707 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccsc2)CC1 ZINC000485887269 857192447 /nfs/dbraw/zinc/19/24/47/857192447.db2.gz GLPMSLDRYUJNGB-XMSQKQJNSA-N 2 1 397.588 3.707 20 0 GHADMP COc1ccc(-c2cc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)on2)cc1 ZINC000665261583 857291149 /nfs/dbraw/zinc/29/11/49/857291149.db2.gz HGEVCFBNZKUBNT-FYYLOGMGSA-N 2 1 391.471 3.696 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058467517 857313680 /nfs/dbraw/zinc/31/36/80/857313680.db2.gz KZHGDAFITDQFHB-UHFFFAOYSA-N 2 1 394.563 3.556 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000520878521 857340125 /nfs/dbraw/zinc/34/01/25/857340125.db2.gz FMEGJTVMTYEKAH-RTWAWAEBSA-N 2 1 398.551 3.626 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000520962261 857443458 /nfs/dbraw/zinc/44/34/58/857443458.db2.gz ZNYIRNZRPHUJFU-UHFFFAOYSA-N 2 1 394.519 3.641 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000282524977 857473990 /nfs/dbraw/zinc/47/39/90/857473990.db2.gz ANRZERFLSKNHHF-QFIPXVFZSA-N 2 1 389.547 3.538 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000282524977 857473997 /nfs/dbraw/zinc/47/39/97/857473997.db2.gz ANRZERFLSKNHHF-QFIPXVFZSA-N 2 1 389.547 3.538 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000061377887 857515224 /nfs/dbraw/zinc/51/52/24/857515224.db2.gz CYYPVKDKSDXEQS-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000486214346 857557649 /nfs/dbraw/zinc/55/76/49/857557649.db2.gz MACBHJDQRXICOW-KAOXLYBCSA-N 2 1 398.595 3.555 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063332230 857609532 /nfs/dbraw/zinc/60/95/32/857609532.db2.gz WGNGXKMVGZQIQH-HSZRJFAPSA-N 2 1 398.595 3.605 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786946 857613247 /nfs/dbraw/zinc/61/32/47/857613247.db2.gz MMLDPXBKTBWNPS-NHTMILBNSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786946 857613248 /nfs/dbraw/zinc/61/32/48/857613248.db2.gz MMLDPXBKTBWNPS-NHTMILBNSA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000675786946 857613253 /nfs/dbraw/zinc/61/32/53/857613253.db2.gz MMLDPXBKTBWNPS-NHTMILBNSA-N 2 1 387.612 3.625 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000675880220 857658436 /nfs/dbraw/zinc/65/84/36/857658436.db2.gz CAXFDUCEIISRJJ-HNAYVOBHSA-N 2 1 386.458 3.922 20 0 GHADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000486487860 857786248 /nfs/dbraw/zinc/78/62/48/857786248.db2.gz KODTVEFEXCMCTH-FXAWDEMLSA-N 2 1 384.520 3.713 20 0 GHADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000486487860 857786249 /nfs/dbraw/zinc/78/62/49/857786249.db2.gz KODTVEFEXCMCTH-FXAWDEMLSA-N 2 1 384.520 3.713 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000065865529 857868206 /nfs/dbraw/zinc/86/82/06/857868206.db2.gz QSVIGYVDKHVPLR-FQEVSTJZSA-N 2 1 389.559 3.809 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000065865529 857868210 /nfs/dbraw/zinc/86/82/10/857868210.db2.gz QSVIGYVDKHVPLR-FQEVSTJZSA-N 2 1 389.559 3.809 20 0 GHADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000065865529 857868215 /nfs/dbraw/zinc/86/82/15/857868215.db2.gz QSVIGYVDKHVPLR-FQEVSTJZSA-N 2 1 389.559 3.809 20 0 GHADMP C[N@H+](CCN1CC[NH+](CCSc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000521330516 857892592 /nfs/dbraw/zinc/89/25/92/857892592.db2.gz OWIMFQALHBFZLT-UHFFFAOYSA-N 2 1 387.568 3.667 20 0 GHADMP C[N@@H+](CCN1CC[NH+](CCSc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000521330516 857892597 /nfs/dbraw/zinc/89/25/97/857892597.db2.gz OWIMFQALHBFZLT-UHFFFAOYSA-N 2 1 387.568 3.667 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000066045963 857899357 /nfs/dbraw/zinc/89/93/57/857899357.db2.gz ILMIUIVFWRMBQH-AUSIDOKSSA-N 2 1 379.548 3.980 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000066045963 857899362 /nfs/dbraw/zinc/89/93/62/857899362.db2.gz ILMIUIVFWRMBQH-AUSIDOKSSA-N 2 1 379.548 3.980 20 0 GHADMP Cc1cc2ccc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cn2c1 ZINC000672975370 857945861 /nfs/dbraw/zinc/94/58/61/857945861.db2.gz MDVUYZDFOLPBBM-UHFFFAOYSA-N 2 1 396.579 3.516 20 0 GHADMP O=C(C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000543059980 858147040 /nfs/dbraw/zinc/14/70/40/858147040.db2.gz OZABOLRCHPFKRU-ZBTAVZRMSA-N 2 1 387.593 3.749 20 0 GHADMP Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cs1 ZINC000665294357 858149121 /nfs/dbraw/zinc/14/91/21/858149121.db2.gz MXXXJJRYACEJLI-QGZVFWFLSA-N 2 1 388.924 3.738 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871830 858188863 /nfs/dbraw/zinc/18/88/63/858188863.db2.gz HEQWKGVQRRGMQU-QGZVFWFLSA-N 2 1 386.609 3.719 20 0 GHADMP c1cn2c(n1)[C@@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCc1ccccc1-2 ZINC000665300036 858230061 /nfs/dbraw/zinc/23/00/61/858230061.db2.gz XFHCPJFGNLKOSN-SKPFHBQLSA-N 2 1 386.499 3.705 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@H+](CC4CC4)C3)c2c1C ZINC000594709701 858261367 /nfs/dbraw/zinc/26/13/67/858261367.db2.gz SYMUYUMNWAZOPR-QGZVFWFLSA-N 2 1 385.581 3.800 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3CC[N@@H+](CC4CC4)C3)c2c1C ZINC000594709701 858261373 /nfs/dbraw/zinc/26/13/73/858261373.db2.gz SYMUYUMNWAZOPR-QGZVFWFLSA-N 2 1 385.581 3.800 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553125 858357682 /nfs/dbraw/zinc/35/76/82/858357682.db2.gz WBKAUESRFFGUHR-VVWQDTPRSA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553125 858357691 /nfs/dbraw/zinc/35/76/91/858357691.db2.gz WBKAUESRFFGUHR-VVWQDTPRSA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553009 858359665 /nfs/dbraw/zinc/35/96/65/858359665.db2.gz AIRRVHQQWLEVBP-QIRNKGDASA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669553009 858359671 /nfs/dbraw/zinc/35/96/71/858359671.db2.gz AIRRVHQQWLEVBP-QIRNKGDASA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000574916347 858393475 /nfs/dbraw/zinc/39/34/75/858393475.db2.gz LMURXAAJHIWMFI-FSSWDIPSSA-N 2 1 383.580 3.857 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000574916347 858393482 /nfs/dbraw/zinc/39/34/82/858393482.db2.gz LMURXAAJHIWMFI-FSSWDIPSSA-N 2 1 383.580 3.857 20 0 GHADMP CCN(C(=O)NCCCCn1cc[nH+]c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474042684 858563151 /nfs/dbraw/zinc/56/31/51/858563151.db2.gz IPXAMJTZOREDET-DENIHFKCSA-N 2 1 397.567 3.839 20 0 GHADMP CCN(C(=O)NCCCCn1cc[nH+]c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474042684 858563158 /nfs/dbraw/zinc/56/31/58/858563158.db2.gz IPXAMJTZOREDET-DENIHFKCSA-N 2 1 397.567 3.839 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000157622984 858657356 /nfs/dbraw/zinc/65/73/56/858657356.db2.gz RQFHMAKENXYYNT-MOPGFXCFSA-N 2 1 390.535 3.745 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000443418054 858667620 /nfs/dbraw/zinc/66/76/20/858667620.db2.gz RLBFYOSEWQNQOY-IEBWSBKVSA-N 2 1 386.540 3.551 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000115794871 858669844 /nfs/dbraw/zinc/66/98/44/858669844.db2.gz YDGYIWZDRJJORG-VQTJNVASSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115794871 858669848 /nfs/dbraw/zinc/66/98/48/858669848.db2.gz YDGYIWZDRJJORG-VQTJNVASSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115794871 858669851 /nfs/dbraw/zinc/66/98/51/858669851.db2.gz YDGYIWZDRJJORG-VQTJNVASSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3COC3)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168017028 858690283 /nfs/dbraw/zinc/69/02/83/858690283.db2.gz WSPSEYUWJHNUSW-HATOLVCRSA-N 2 1 380.532 3.995 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000676709460 858771040 /nfs/dbraw/zinc/77/10/40/858771040.db2.gz FXOTUSNWOAVWHF-UHFFFAOYSA-N 2 1 385.474 3.576 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000183688052 858797789 /nfs/dbraw/zinc/79/77/89/858797789.db2.gz VAMIRRZMVOIROR-MSOLQXFVSA-N 2 1 376.504 3.845 20 0 GHADMP CCOc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183689485 858797897 /nfs/dbraw/zinc/79/78/97/858797897.db2.gz BNFRDJXFMDBROE-QGZVFWFLSA-N 2 1 392.503 3.546 20 0 GHADMP CC(C)Sc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482862281 858925368 /nfs/dbraw/zinc/92/53/68/858925368.db2.gz DGZSYUSNMVXYRL-KRWDZBQOSA-N 2 1 377.598 3.780 20 0 GHADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482874474 858933510 /nfs/dbraw/zinc/93/35/10/858933510.db2.gz ZEYJAZZOLDUIMP-OAQYLSRUSA-N 2 1 399.604 3.873 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc4cnccc43)C2)ccn1 ZINC000856550279 881366168 /nfs/dbraw/zinc/36/61/68/881366168.db2.gz BKHKJCZFFYUCEE-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc4cnccc43)C2)ccn1 ZINC000856550279 881366189 /nfs/dbraw/zinc/36/61/89/881366189.db2.gz BKHKJCZFFYUCEE-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc4cnccc43)C2)ccn1 ZINC000856550279 881366211 /nfs/dbraw/zinc/36/62/11/881366211.db2.gz BKHKJCZFFYUCEE-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466656399 858973929 /nfs/dbraw/zinc/97/39/29/858973929.db2.gz AQKBVZKURRUHIS-CALCHBBNSA-N 2 1 397.485 3.613 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466656399 858973935 /nfs/dbraw/zinc/97/39/35/858973935.db2.gz AQKBVZKURRUHIS-CALCHBBNSA-N 2 1 397.485 3.613 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466656399 858973940 /nfs/dbraw/zinc/97/39/40/858973940.db2.gz AQKBVZKURRUHIS-CALCHBBNSA-N 2 1 397.485 3.613 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466656399 858973945 /nfs/dbraw/zinc/97/39/45/858973945.db2.gz AQKBVZKURRUHIS-CALCHBBNSA-N 2 1 397.485 3.613 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc4c(cccc4C)[nH]3)C2)ccn1 ZINC000856550598 881368638 /nfs/dbraw/zinc/36/86/38/881368638.db2.gz VKIADYWAEWDXJP-OAQYLSRUSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc4c(cccc4C)[nH]3)C2)ccn1 ZINC000856550598 881368657 /nfs/dbraw/zinc/36/86/57/881368657.db2.gz VKIADYWAEWDXJP-OAQYLSRUSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc4c(cccc4C)[nH]3)C2)ccn1 ZINC000856550598 881368676 /nfs/dbraw/zinc/36/86/76/881368676.db2.gz VKIADYWAEWDXJP-OAQYLSRUSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)ccn1 ZINC000856552945 881377904 /nfs/dbraw/zinc/37/79/04/881377904.db2.gz IXSGIUXGFYMLQY-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)ccn1 ZINC000856552945 881377943 /nfs/dbraw/zinc/37/79/43/881377943.db2.gz IXSGIUXGFYMLQY-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP COc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168022584 859024809 /nfs/dbraw/zinc/02/48/09/859024809.db2.gz TYOCDVCWUFNAII-IYRWYFENSA-N 2 1 382.548 3.630 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000185165383 859051295 /nfs/dbraw/zinc/05/12/95/859051295.db2.gz BGMSXLWDMZQOTK-OAHLLOKOSA-N 2 1 389.341 3.526 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)c(F)c3)C2)ccn1 ZINC000856552945 881377824 /nfs/dbraw/zinc/37/78/24/881377824.db2.gz IXSGIUXGFYMLQY-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)c(F)c3)C2)ccn1 ZINC000856552945 881377864 /nfs/dbraw/zinc/37/78/64/881377864.db2.gz IXSGIUXGFYMLQY-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761200431 859111853 /nfs/dbraw/zinc/11/18/53/859111853.db2.gz SQIZXVCDESGCGU-IBGZPJMESA-N 2 1 375.557 3.744 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761200431 859111858 /nfs/dbraw/zinc/11/18/58/859111858.db2.gz SQIZXVCDESGCGU-IBGZPJMESA-N 2 1 375.557 3.744 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761200431 859111862 /nfs/dbraw/zinc/11/18/62/859111862.db2.gz SQIZXVCDESGCGU-IBGZPJMESA-N 2 1 375.557 3.744 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185660451 859113569 /nfs/dbraw/zinc/11/35/69/859113569.db2.gz HSPFWTXQRHKSGG-CABCVRRESA-N 2 1 383.989 3.603 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185660451 859113577 /nfs/dbraw/zinc/11/35/77/859113577.db2.gz HSPFWTXQRHKSGG-CABCVRRESA-N 2 1 383.989 3.603 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccccc3OC(F)F)C2)ccn1 ZINC000856554348 881387731 /nfs/dbraw/zinc/38/77/31/881387731.db2.gz IBXXTZPSJLKHCZ-LJQANCHMSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3OC(F)F)C2)ccn1 ZINC000856554348 881387739 /nfs/dbraw/zinc/38/77/39/881387739.db2.gz IBXXTZPSJLKHCZ-LJQANCHMSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3OC(F)F)C2)ccn1 ZINC000856554348 881387756 /nfs/dbraw/zinc/38/77/56/881387756.db2.gz IBXXTZPSJLKHCZ-LJQANCHMSA-N 2 1 391.462 3.788 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483146571 859181375 /nfs/dbraw/zinc/18/13/75/859181375.db2.gz RBJHMUZLZKCADA-YADHBBJMSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483146571 859181384 /nfs/dbraw/zinc/18/13/84/859181384.db2.gz RBJHMUZLZKCADA-YADHBBJMSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483146571 859181393 /nfs/dbraw/zinc/18/13/93/859181393.db2.gz RBJHMUZLZKCADA-YADHBBJMSA-N 2 1 383.580 3.622 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1cccs1 ZINC000483148696 859182811 /nfs/dbraw/zinc/18/28/11/859182811.db2.gz CUHBAJHNXNOEBW-OPYAIIAOSA-N 2 1 389.609 3.902 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1cccs1 ZINC000483148696 859182815 /nfs/dbraw/zinc/18/28/15/859182815.db2.gz CUHBAJHNXNOEBW-OPYAIIAOSA-N 2 1 389.609 3.902 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1cccs1 ZINC000483148696 859182819 /nfs/dbraw/zinc/18/28/19/859182819.db2.gz CUHBAJHNXNOEBW-OPYAIIAOSA-N 2 1 389.609 3.902 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nccn3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000483296229 859278069 /nfs/dbraw/zinc/27/80/69/859278069.db2.gz MAQPZKUPJVUPHJ-PMACEKPBSA-N 2 1 382.552 3.584 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000923401984 859285363 /nfs/dbraw/zinc/28/53/63/859285363.db2.gz RFWOJWZPWBGZDN-TTZDDIAXSA-N 2 1 396.375 3.628 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000923401984 859285372 /nfs/dbraw/zinc/28/53/72/859285372.db2.gz RFWOJWZPWBGZDN-TTZDDIAXSA-N 2 1 396.375 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc(Cl)n1 ZINC000856558268 881419083 /nfs/dbraw/zinc/41/90/83/881419083.db2.gz DXDIUBJWQPCODO-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc(Cl)n1 ZINC000856558268 881419109 /nfs/dbraw/zinc/41/91/09/881419109.db2.gz DXDIUBJWQPCODO-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(Cl)n1 ZINC000856558268 881419133 /nfs/dbraw/zinc/41/91/33/881419133.db2.gz DXDIUBJWQPCODO-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(Cl)n1 ZINC000856558268 881419174 /nfs/dbraw/zinc/41/91/74/881419174.db2.gz DXDIUBJWQPCODO-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@H]1c1cccs1 ZINC000483717615 859557227 /nfs/dbraw/zinc/55/72/27/859557227.db2.gz YAEKGFGZUHZDRW-AVRDEDQJSA-N 2 1 384.593 3.780 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@H]1c1cccs1 ZINC000483717615 859557233 /nfs/dbraw/zinc/55/72/33/859557233.db2.gz YAEKGFGZUHZDRW-AVRDEDQJSA-N 2 1 384.593 3.780 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccccc1I ZINC000483709234 859565803 /nfs/dbraw/zinc/56/58/03/859565803.db2.gz FDVFRDHVKKHUDH-CYBMUJFWSA-N 2 1 383.277 3.927 20 0 GHADMP CCC[N@H+](CC(=O)Nc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477089 859626277 /nfs/dbraw/zinc/62/62/77/859626277.db2.gz SHWDMRLWSZXZFW-UHFFFAOYSA-N 2 1 399.514 3.552 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477089 859626279 /nfs/dbraw/zinc/62/62/79/859626279.db2.gz SHWDMRLWSZXZFW-UHFFFAOYSA-N 2 1 399.514 3.552 20 0 GHADMP Cc1cc([C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2cccnc2)ccc1F ZINC000543423759 859669629 /nfs/dbraw/zinc/66/96/29/859669629.db2.gz DQIWKZORWCMANW-QHCPKHFHSA-N 2 1 394.494 3.744 20 0 GHADMP CSc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC000383739424 859691156 /nfs/dbraw/zinc/69/11/56/859691156.db2.gz HFFRBVLBDVEKMD-GOSISDBHSA-N 2 1 384.545 3.791 20 0 GHADMP FC(F)(F)c1ccc2nnc([C@H]3CCC[N@H+](CCC[NH+]4CCCCC4)C3)n2c1 ZINC000161669903 859760182 /nfs/dbraw/zinc/76/01/82/859760182.db2.gz AONJTJIKGYAGQX-INIZCTEOSA-N 2 1 395.473 3.804 20 0 GHADMP FC(F)(F)c1ccc2nnc([C@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)n2c1 ZINC000161669903 859760187 /nfs/dbraw/zinc/76/01/87/859760187.db2.gz AONJTJIKGYAGQX-INIZCTEOSA-N 2 1 395.473 3.804 20 0 GHADMP O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000484087078 859810791 /nfs/dbraw/zinc/81/07/91/859810791.db2.gz PNYCMGISKMJQJJ-HSZRJFAPSA-N 2 1 389.543 3.928 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000922387265 859883340 /nfs/dbraw/zinc/88/33/40/859883340.db2.gz LNSCGHUNCACXBT-FXRXJOCMSA-N 2 1 388.886 3.511 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000727076274 859916795 /nfs/dbraw/zinc/91/67/95/859916795.db2.gz QLWPOHAXEHZZFH-GOSISDBHSA-N 2 1 390.641 3.613 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765431026 859971419 /nfs/dbraw/zinc/97/14/19/859971419.db2.gz DGEMUAVZFNRNHM-LLGFUMIMSA-N 2 1 393.597 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000115628604 860060538 /nfs/dbraw/zinc/06/05/38/860060538.db2.gz GAWVHUMCEYSQLE-ZJSXRUAMSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000115628604 860060548 /nfs/dbraw/zinc/06/05/48/860060548.db2.gz GAWVHUMCEYSQLE-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000115628604 860060554 /nfs/dbraw/zinc/06/05/54/860060554.db2.gz GAWVHUMCEYSQLE-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000115628604 860060564 /nfs/dbraw/zinc/06/05/64/860060564.db2.gz GAWVHUMCEYSQLE-ZJSXRUAMSA-N 2 1 387.612 3.899 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000484511873 860061719 /nfs/dbraw/zinc/06/17/19/860061719.db2.gz QBEWLTMIGZWGHO-UEVCKROQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000484511873 860061729 /nfs/dbraw/zinc/06/17/29/860061729.db2.gz QBEWLTMIGZWGHO-UEVCKROQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(Br)cc1F ZINC000568558420 860073027 /nfs/dbraw/zinc/07/30/27/860073027.db2.gz UCOXUBGPYGWNLQ-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)cc2)CC1 ZINC000428879209 860163093 /nfs/dbraw/zinc/16/30/93/860163093.db2.gz GQRNLLHNWLJYEM-UHFFFAOYSA-N 2 1 383.483 3.804 20 0 GHADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c2C1 ZINC000727705394 860197635 /nfs/dbraw/zinc/19/76/35/860197635.db2.gz ROMIPXOEVDVLKX-MRXNPFEDSA-N 2 1 376.614 3.921 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccnn1-c1ccccc1 ZINC000281580562 860221636 /nfs/dbraw/zinc/22/16/36/860221636.db2.gz LBRUMEXSQIAVGN-CVDCTZTESA-N 2 1 390.531 3.680 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000535277019 860257397 /nfs/dbraw/zinc/25/73/97/860257397.db2.gz MUOUUEZZKQWPSX-JOCHJYFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000535277019 860257408 /nfs/dbraw/zinc/25/74/08/860257408.db2.gz MUOUUEZZKQWPSX-JOCHJYFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c21 ZINC000093597613 860313542 /nfs/dbraw/zinc/31/35/42/860313542.db2.gz QTPIQUGNMDCBGQ-GOSISDBHSA-N 2 1 385.552 3.902 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c21 ZINC000093597613 860313551 /nfs/dbraw/zinc/31/35/51/860313551.db2.gz QTPIQUGNMDCBGQ-GOSISDBHSA-N 2 1 385.552 3.902 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCSc3ccc(F)cc3)C2)ccn1 ZINC000856582961 881533847 /nfs/dbraw/zinc/53/38/47/881533847.db2.gz ATCMBOMJZKDRLW-FQEVSTJZSA-N 2 1 389.540 3.918 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCSc3ccc(F)cc3)C2)ccn1 ZINC000856582961 881533865 /nfs/dbraw/zinc/53/38/65/881533865.db2.gz ATCMBOMJZKDRLW-FQEVSTJZSA-N 2 1 389.540 3.918 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCSc3ccc(F)cc3)C2)ccn1 ZINC000856582961 881533877 /nfs/dbraw/zinc/53/38/77/881533877.db2.gz ATCMBOMJZKDRLW-FQEVSTJZSA-N 2 1 389.540 3.918 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585497 881557410 /nfs/dbraw/zinc/55/74/10/881557410.db2.gz HOERQKQRHGHGNY-PKTZIBPZSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585497 881557425 /nfs/dbraw/zinc/55/74/25/881557425.db2.gz HOERQKQRHGHGNY-PKTZIBPZSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585497 881557440 /nfs/dbraw/zinc/55/74/40/881557440.db2.gz HOERQKQRHGHGNY-PKTZIBPZSA-N 2 1 383.536 3.764 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000509029882 860623770 /nfs/dbraw/zinc/62/37/70/860623770.db2.gz GEQYHDCWQBJJRM-NSISKUIASA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000509029882 860623775 /nfs/dbraw/zinc/62/37/75/860623775.db2.gz GEQYHDCWQBJJRM-NSISKUIASA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000509029882 860623780 /nfs/dbraw/zinc/62/37/80/860623780.db2.gz GEQYHDCWQBJJRM-NSISKUIASA-N 2 1 394.991 3.705 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000509036042 860646637 /nfs/dbraw/zinc/64/66/37/860646637.db2.gz YXWIRLPWBNDAMB-YLJYHZDGSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000509036042 860646645 /nfs/dbraw/zinc/64/66/45/860646645.db2.gz YXWIRLPWBNDAMB-YLJYHZDGSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000509036042 860646655 /nfs/dbraw/zinc/64/66/55/860646655.db2.gz YXWIRLPWBNDAMB-YLJYHZDGSA-N 2 1 394.991 3.706 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3cc(C)cc(C)c3)C2)ccn1 ZINC000856594806 881569723 /nfs/dbraw/zinc/56/97/23/881569723.db2.gz XQHSEULKICXUEM-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3cc(C)cc(C)c3)C2)ccn1 ZINC000856594806 881569733 /nfs/dbraw/zinc/56/97/33/881569733.db2.gz XQHSEULKICXUEM-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3cc(C)cc(C)c3)C2)ccn1 ZINC000856594806 881569748 /nfs/dbraw/zinc/56/97/48/881569748.db2.gz XQHSEULKICXUEM-JOCHJYFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601052 881575264 /nfs/dbraw/zinc/57/52/64/881575264.db2.gz ZQHYHJLXNHBVIF-HSZRJFAPSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601052 881575269 /nfs/dbraw/zinc/57/52/69/881575269.db2.gz ZQHYHJLXNHBVIF-HSZRJFAPSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601052 881575274 /nfs/dbraw/zinc/57/52/74/881575274.db2.gz ZQHYHJLXNHBVIF-HSZRJFAPSA-N 2 1 382.552 3.641 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474823995 860856543 /nfs/dbraw/zinc/85/65/43/860856543.db2.gz XSLBCYPNSRUQMG-CPUCHLNUSA-N 2 1 386.321 3.685 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474823995 860856562 /nfs/dbraw/zinc/85/65/62/860856562.db2.gz XSLBCYPNSRUQMG-CPUCHLNUSA-N 2 1 386.321 3.685 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000192636709 860893729 /nfs/dbraw/zinc/89/37/29/860893729.db2.gz QOTHKWFIIGTCSW-AWEZNQCLSA-N 2 1 378.501 3.945 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000481307057 860999384 /nfs/dbraw/zinc/99/93/84/860999384.db2.gz ITQZSPKSFNWRDQ-RDPSFJRHSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000481307057 860999400 /nfs/dbraw/zinc/99/94/00/860999400.db2.gz ITQZSPKSFNWRDQ-RDPSFJRHSA-N 2 1 381.564 3.627 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000600124483 861063294 /nfs/dbraw/zinc/06/32/94/861063294.db2.gz UAUIRYHACINXGO-GOSISDBHSA-N 2 1 381.520 3.780 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000600124483 861063313 /nfs/dbraw/zinc/06/33/13/861063313.db2.gz UAUIRYHACINXGO-GOSISDBHSA-N 2 1 381.520 3.780 20 0 GHADMP CC[C@@H]1[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048930 863107636 /nfs/dbraw/zinc/10/76/36/863107636.db2.gz YJKOYGOYPSOSDH-SXNOXQEJSA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@@H]1[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048930 863107643 /nfs/dbraw/zinc/10/76/43/863107643.db2.gz YJKOYGOYPSOSDH-SXNOXQEJSA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048930 863107647 /nfs/dbraw/zinc/10/76/47/863107647.db2.gz YJKOYGOYPSOSDH-SXNOXQEJSA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048930 863107649 /nfs/dbraw/zinc/10/76/49/863107649.db2.gz YJKOYGOYPSOSDH-SXNOXQEJSA-N 2 1 383.580 3.951 20 0 GHADMP COc1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(OCc2cccnc2)c1 ZINC000444002362 863125446 /nfs/dbraw/zinc/12/54/46/863125446.db2.gz FLFCKEHGUAJUQB-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000482497887 863227151 /nfs/dbraw/zinc/22/71/51/863227151.db2.gz GXEXGIFKTOFJQW-UHFFFAOYSA-N 2 1 395.595 3.952 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000532270286 881644048 /nfs/dbraw/zinc/64/40/48/881644048.db2.gz XYAOYGADTSCMKY-XZOQPEGZSA-N 2 1 380.532 3.830 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000482551179 863296845 /nfs/dbraw/zinc/29/68/45/863296845.db2.gz BEOSJUBQUAHZLI-QUCCMNQESA-N 2 1 381.520 3.717 20 0 GHADMP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482565615 863318724 /nfs/dbraw/zinc/31/87/24/863318724.db2.gz YSSWKATZLOAGAP-APWZRJJASA-N 2 1 395.975 3.613 20 0 GHADMP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482565615 863318735 /nfs/dbraw/zinc/31/87/35/863318735.db2.gz YSSWKATZLOAGAP-APWZRJJASA-N 2 1 395.975 3.613 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCCC1 ZINC000182671050 863324587 /nfs/dbraw/zinc/32/45/87/863324587.db2.gz VUHKHRZKONGUEQ-NJYVYQBISA-N 2 1 378.605 3.547 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000522847080 863545249 /nfs/dbraw/zinc/54/52/49/863545249.db2.gz HBZBMKNFHKRECC-QHCPKHFHSA-N 2 1 386.499 3.642 20 0 GHADMP C[N@H+](CCC(=O)Nc1cccc(Br)c1)CC[C@@H]1CCCC[NH+]1C ZINC000444173509 863590886 /nfs/dbraw/zinc/59/08/86/863590886.db2.gz ZYVINEUZQIVMEA-KRWDZBQOSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1cccc(Br)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000444173509 863590893 /nfs/dbraw/zinc/59/08/93/863590893.db2.gz ZYVINEUZQIVMEA-KRWDZBQOSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1cccc(Br)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000444173509 863590904 /nfs/dbraw/zinc/59/09/04/863590904.db2.gz ZYVINEUZQIVMEA-KRWDZBQOSA-N 2 1 382.346 3.584 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000606686109 863778651 /nfs/dbraw/zinc/77/86/51/863778651.db2.gz SOSNBCVBCCTBEZ-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000606686109 863778654 /nfs/dbraw/zinc/77/86/54/863778654.db2.gz SOSNBCVBCCTBEZ-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000606686109 863778658 /nfs/dbraw/zinc/77/86/58/863778658.db2.gz SOSNBCVBCCTBEZ-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C4CCCC4)C3)cc2)C1 ZINC000522986012 863862220 /nfs/dbraw/zinc/86/22/20/863862220.db2.gz ZHTBOAGUALYWRG-DENIHFKCSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)cc2)C1 ZINC000522986012 863862235 /nfs/dbraw/zinc/86/22/35/863862235.db2.gz ZHTBOAGUALYWRG-DENIHFKCSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)cc2)C1 ZINC000522986012 863862261 /nfs/dbraw/zinc/86/22/61/863862261.db2.gz ZHTBOAGUALYWRG-DENIHFKCSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000544575774 881711103 /nfs/dbraw/zinc/71/11/03/881711103.db2.gz REHFCGXKHQOTIC-LZJOCLMNSA-N 2 1 390.959 3.642 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C(C)C)cc1Cl ZINC000606936218 863973065 /nfs/dbraw/zinc/97/30/65/863973065.db2.gz FUMRIHMKBSKBLS-RBUKOAKNSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C(C)C)cc1Cl ZINC000606936218 863973070 /nfs/dbraw/zinc/97/30/70/863973070.db2.gz FUMRIHMKBSKBLS-RBUKOAKNSA-N 2 1 394.987 3.929 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]1CCC[NH+](CC)C1)c1ccc(Cl)cc1 ZINC000554249791 863998839 /nfs/dbraw/zinc/99/88/39/863998839.db2.gz LIEZNPJGKSWWIP-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC000554249791 863998851 /nfs/dbraw/zinc/99/88/51/863998851.db2.gz LIEZNPJGKSWWIP-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC000554249791 863998860 /nfs/dbraw/zinc/99/88/60/863998860.db2.gz LIEZNPJGKSWWIP-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000159053022 864019261 /nfs/dbraw/zinc/01/92/61/864019261.db2.gz BKRQIESMTKXOPS-MRXNPFEDSA-N 2 1 390.959 3.986 20 0 GHADMP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000645786900 864028293 /nfs/dbraw/zinc/02/82/93/864028293.db2.gz IIALGTZXKHWRRQ-RBBKRZOGSA-N 2 1 379.548 3.741 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000856755677 881722018 /nfs/dbraw/zinc/72/20/18/881722018.db2.gz WWGLZTIVTFPPSE-HSZRJFAPSA-N 2 1 391.559 3.890 20 0 GHADMP CCN1CCC2(CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)C1=O ZINC001168056243 864166096 /nfs/dbraw/zinc/16/60/96/864166096.db2.gz DTZZVXLZDSTNII-VTYHHJSWSA-N 2 1 383.580 3.762 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607282937 864239641 /nfs/dbraw/zinc/23/96/41/864239641.db2.gz XTEOWKLDVONBBK-DEOSSOPVSA-N 2 1 391.559 3.953 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1Oc1ccccc1 ZINC000480223188 864291944 /nfs/dbraw/zinc/29/19/44/864291944.db2.gz JWEMXCPQWQVDDN-ISJGIBHGSA-N 2 1 394.559 3.908 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)[C@H]1Oc1ccccc1 ZINC000480235315 864320020 /nfs/dbraw/zinc/32/00/20/864320020.db2.gz SYRQQNUSVQNYRL-QZNHQXDQSA-N 2 1 381.520 3.573 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000607391115 864337796 /nfs/dbraw/zinc/33/77/96/864337796.db2.gz CYLPGVBJAJFPAB-UMXIMWEHSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000607391115 864337808 /nfs/dbraw/zinc/33/78/08/864337808.db2.gz CYLPGVBJAJFPAB-UMXIMWEHSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000607391115 864337825 /nfs/dbraw/zinc/33/78/25/864337825.db2.gz CYLPGVBJAJFPAB-UMXIMWEHSA-N 2 1 396.575 3.736 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000621647034 864348560 /nfs/dbraw/zinc/34/85/60/864348560.db2.gz BTFJURLTJPKSBO-PXNSSMCTSA-N 2 1 377.960 3.591 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056969 864363404 /nfs/dbraw/zinc/36/34/04/864363404.db2.gz KXVRKZXRVVFPAV-CNNODRBYSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056969 864363417 /nfs/dbraw/zinc/36/34/17/864363417.db2.gz KXVRKZXRVVFPAV-CNNODRBYSA-N 2 1 395.547 3.985 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)[nH+]c1 ZINC000163452166 864517302 /nfs/dbraw/zinc/51/73/02/864517302.db2.gz XUJQPFSKVSTKBO-LJQANCHMSA-N 3 1 382.552 3.650 20 0 GHADMP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165645410 864687612 /nfs/dbraw/zinc/68/76/12/864687612.db2.gz ILSQCGOZTOIGFY-JOCHJYFZSA-N 2 1 399.579 3.603 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165645290 864688083 /nfs/dbraw/zinc/68/80/83/864688083.db2.gz ILSQCGOZTOIGFY-QFIPXVFZSA-N 2 1 399.579 3.603 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000475368940 864883374 /nfs/dbraw/zinc/88/33/74/864883374.db2.gz HLIHXYUZUUQNOT-OOMBGRCJSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(OC)cc1 ZINC000480608283 864939367 /nfs/dbraw/zinc/93/93/67/864939367.db2.gz CMYFJJBAXTWDTF-HSZRJFAPSA-N 2 1 395.547 3.714 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000480617624 864975255 /nfs/dbraw/zinc/97/52/55/864975255.db2.gz YTYHGTMVIQJEGZ-WMZHIEFXSA-N 2 1 395.547 3.914 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1 ZINC000480658448 865054365 /nfs/dbraw/zinc/05/43/65/865054365.db2.gz KMYDSCWKSKBGOG-FQEVSTJZSA-N 2 1 396.579 3.828 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1 ZINC000480658449 865054566 /nfs/dbraw/zinc/05/45/66/865054566.db2.gz KMYDSCWKSKBGOG-HXUWFJFHSA-N 2 1 396.579 3.828 20 0 GHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667723781 865064950 /nfs/dbraw/zinc/06/49/50/865064950.db2.gz GCVLWRFRPPKXHA-HTAPYJJXSA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667723781 865064964 /nfs/dbraw/zinc/06/49/64/865064964.db2.gz GCVLWRFRPPKXHA-HTAPYJJXSA-N 2 1 395.551 3.613 20 0 GHADMP Brc1cccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000655715303 865076615 /nfs/dbraw/zinc/07/66/15/865076615.db2.gz JGNBXVSQYAMAOK-IBGZPJMESA-N 2 1 393.369 3.714 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)c2)C[C@@H](C)O1 ZINC000169195015 865081052 /nfs/dbraw/zinc/08/10/52/865081052.db2.gz VBBDROYGMBAHDQ-HMFYCAOWSA-N 2 1 381.520 3.715 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480770055 865228980 /nfs/dbraw/zinc/22/89/80/865228980.db2.gz RDDCNHASQQDIGP-QGZVFWFLSA-N 2 1 377.529 3.885 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480796741 865289998 /nfs/dbraw/zinc/28/99/98/865289998.db2.gz IHPYSUYQAXOISI-QFIPXVFZSA-N 2 1 383.580 3.943 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000480800440 865306691 /nfs/dbraw/zinc/30/66/91/865306691.db2.gz UBHCNPMHEWZVNX-FQEVSTJZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000480800440 865306706 /nfs/dbraw/zinc/30/67/06/865306706.db2.gz UBHCNPMHEWZVNX-FQEVSTJZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000480800440 865306723 /nfs/dbraw/zinc/30/67/23/865306723.db2.gz UBHCNPMHEWZVNX-FQEVSTJZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000480800440 865306738 /nfs/dbraw/zinc/30/67/38/865306738.db2.gz UBHCNPMHEWZVNX-FQEVSTJZSA-N 2 1 387.543 3.515 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2c1C ZINC000301590768 865442822 /nfs/dbraw/zinc/44/28/22/865442822.db2.gz XSFFXTYVXKFTGF-BBRMVZONSA-N 2 1 385.581 3.941 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)c2c1C ZINC000301590768 865442829 /nfs/dbraw/zinc/44/28/29/865442829.db2.gz XSFFXTYVXKFTGF-BBRMVZONSA-N 2 1 385.581 3.941 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000555094908 865472094 /nfs/dbraw/zinc/47/20/94/865472094.db2.gz RBVPGJOHOMYWTF-XZOQPEGZSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000555094908 865472098 /nfs/dbraw/zinc/47/20/98/865472098.db2.gz RBVPGJOHOMYWTF-XZOQPEGZSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000555094908 865472104 /nfs/dbraw/zinc/47/21/04/865472104.db2.gz RBVPGJOHOMYWTF-XZOQPEGZSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000480898319 865481843 /nfs/dbraw/zinc/48/18/43/865481843.db2.gz MMKVVJPXORDNNS-MHECFPHRSA-N 2 1 381.539 3.986 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248397287 865638606 /nfs/dbraw/zinc/63/86/06/865638606.db2.gz HUEWMWQXJXKQHY-UEQSERJNSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000174072712 865874385 /nfs/dbraw/zinc/87/43/85/865874385.db2.gz CPXSYLPBCRYCCJ-UHFFFAOYSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000174427630 865905275 /nfs/dbraw/zinc/90/52/75/865905275.db2.gz XKVWNTHFHZDQTL-LJQANCHMSA-N 2 1 377.916 3.973 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000481174328 865961671 /nfs/dbraw/zinc/96/16/71/865961671.db2.gz IRZAGLHEDRCECI-NZQKXSOJSA-N 2 1 391.559 3.682 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000481174328 865961677 /nfs/dbraw/zinc/96/16/77/865961677.db2.gz IRZAGLHEDRCECI-NZQKXSOJSA-N 2 1 391.559 3.682 20 0 GHADMP COC(=O)COc1c(C)cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000183101833 866204949 /nfs/dbraw/zinc/20/49/49/866204949.db2.gz TWEVJSWQBKVSPL-QUCCMNQESA-N 2 1 388.552 3.598 20 0 GHADMP Cc1ccccc1CNC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534230055 866298526 /nfs/dbraw/zinc/29/85/26/866298526.db2.gz FQEZHSZYYDEMGG-UHFFFAOYSA-N 2 1 391.559 3.599 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCSc4ccccc43)CC2)CC1 ZINC000552855452 866354237 /nfs/dbraw/zinc/35/42/37/866354237.db2.gz LYTUJPAFDNHDBV-HXUWFJFHSA-N 2 1 387.593 3.536 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153348209 866370940 /nfs/dbraw/zinc/37/09/40/866370940.db2.gz HYBDFBHSDBOVLK-WIYYLYMNSA-N 2 1 375.557 3.630 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H](C)C1 ZINC000153348209 866370953 /nfs/dbraw/zinc/37/09/53/866370953.db2.gz HYBDFBHSDBOVLK-WIYYLYMNSA-N 2 1 375.557 3.630 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc(Cn3ccnc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456319864 866430429 /nfs/dbraw/zinc/43/04/29/866430429.db2.gz BRCPYJNHVLMABH-FQEVSTJZSA-N 2 1 388.515 3.526 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000552917717 866489971 /nfs/dbraw/zinc/48/99/71/866489971.db2.gz HDVMCYZLAPHDBL-JOCHJYFZSA-N 2 1 387.543 3.686 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000153459802 866490352 /nfs/dbraw/zinc/49/03/52/866490352.db2.gz LOOUXKOFQKALJT-ROUUACIJSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000153459802 866490370 /nfs/dbraw/zinc/49/03/70/866490370.db2.gz LOOUXKOFQKALJT-ROUUACIJSA-N 2 1 384.520 3.775 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000153483310 866517939 /nfs/dbraw/zinc/51/79/39/866517939.db2.gz PLFZGBILHVQYSS-MSOLQXFVSA-N 2 1 382.504 3.529 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000153483310 866517948 /nfs/dbraw/zinc/51/79/48/866517948.db2.gz PLFZGBILHVQYSS-MSOLQXFVSA-N 2 1 382.504 3.529 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620196095 866535190 /nfs/dbraw/zinc/53/51/90/866535190.db2.gz MEHRCWYUIIJELY-TZIWHRDSSA-N 2 1 394.563 3.815 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620196095 866535192 /nfs/dbraw/zinc/53/51/92/866535192.db2.gz MEHRCWYUIIJELY-TZIWHRDSSA-N 2 1 394.563 3.815 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000189739872 881992588 /nfs/dbraw/zinc/99/25/88/881992588.db2.gz PTYNMJFXOXBJIO-UHFFFAOYSA-N 2 1 395.950 3.683 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c2cccs2)CC1 ZINC000534352393 866602436 /nfs/dbraw/zinc/60/24/36/866602436.db2.gz JCPGHFOTEUVUFE-BAGYTPMASA-N 2 1 399.604 3.794 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)[NH+](C)C)cc1 ZINC000553060602 866720756 /nfs/dbraw/zinc/72/07/56/866720756.db2.gz FGOCQDMGJRDHLN-KZNAEPCWSA-N 2 1 399.501 3.623 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000478834591 866728678 /nfs/dbraw/zinc/72/86/78/866728678.db2.gz ONVCXXYOBZBPDN-TXTKFYIRSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1Cl ZINC000523146094 866756178 /nfs/dbraw/zinc/75/61/78/866756178.db2.gz AOVDZHWTWILCET-FXAWDEMLSA-N 2 1 394.991 3.752 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)[NH+]2CCCC2)o1 ZINC000857098527 882013821 /nfs/dbraw/zinc/01/38/21/882013821.db2.gz DSGCGAJOTDFGKM-FGZHOGPDSA-N 2 1 395.547 3.964 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000444569991 866897199 /nfs/dbraw/zinc/89/71/99/866897199.db2.gz GFURUXAJBMPZOT-KURKYZTESA-N 2 1 383.540 3.804 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857138276 882043548 /nfs/dbraw/zinc/04/35/48/882043548.db2.gz PGEGAGIQDDYROD-BJKOFHAPSA-N 2 1 391.559 3.842 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857138276 882043567 /nfs/dbraw/zinc/04/35/67/882043567.db2.gz PGEGAGIQDDYROD-BJKOFHAPSA-N 2 1 391.559 3.842 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857138276 882043588 /nfs/dbraw/zinc/04/35/88/882043588.db2.gz PGEGAGIQDDYROD-BJKOFHAPSA-N 2 1 391.559 3.842 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000553314470 867153626 /nfs/dbraw/zinc/15/36/26/867153626.db2.gz MHSUJSQPJNONTC-TZIWHRDSSA-N 2 1 385.577 3.769 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)c2c1C ZINC000553331322 867193997 /nfs/dbraw/zinc/19/39/97/867193997.db2.gz FFUGKYSTUUMPLD-QAPCUYQASA-N 2 1 399.608 3.967 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523449057 867332901 /nfs/dbraw/zinc/33/29/01/867332901.db2.gz VOSXUGTUYBMTKF-FCHUYYIVSA-N 2 1 388.596 3.983 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523449057 867332913 /nfs/dbraw/zinc/33/29/13/867332913.db2.gz VOSXUGTUYBMTKF-FCHUYYIVSA-N 2 1 388.596 3.983 20 0 GHADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000154583441 867480033 /nfs/dbraw/zinc/48/00/33/867480033.db2.gz HLXJBZYOQYQCRM-BPQIPLTHSA-N 2 1 385.474 3.722 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C[C@H]1C ZINC000534833618 867565480 /nfs/dbraw/zinc/56/54/80/867565480.db2.gz PWLDYUHEXLZPSU-NMLACTOBSA-N 2 1 392.975 3.599 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C[C@H]1C ZINC000534833618 867565489 /nfs/dbraw/zinc/56/54/89/867565489.db2.gz PWLDYUHEXLZPSU-NMLACTOBSA-N 2 1 392.975 3.599 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C[C@H]1C ZINC000534833618 867565503 /nfs/dbraw/zinc/56/55/03/867565503.db2.gz PWLDYUHEXLZPSU-NMLACTOBSA-N 2 1 392.975 3.599 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C[C@H]1C ZINC000534833618 867565519 /nfs/dbraw/zinc/56/55/19/867565519.db2.gz PWLDYUHEXLZPSU-NMLACTOBSA-N 2 1 392.975 3.599 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000620820727 867578854 /nfs/dbraw/zinc/57/88/54/867578854.db2.gz WMCFPVCSYQHVNV-XZOQPEGZSA-N 2 1 394.563 3.562 20 0 GHADMP C[C@H]1C[C@@H](N(C)Cc2cccc(Br)c2OC(F)F)CC[N@H+]1C ZINC000154961160 867683790 /nfs/dbraw/zinc/68/37/90/867683790.db2.gz YKOJWXPRFLACTP-AAEUAGOBSA-N 2 1 377.273 3.965 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000534961027 867798588 /nfs/dbraw/zinc/79/85/88/867798588.db2.gz LDTAWXWDLJRQIR-QGZVFWFLSA-N 2 1 392.563 3.587 20 0 GHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479464770 867809108 /nfs/dbraw/zinc/80/91/08/867809108.db2.gz MWWWYOGMNHIJNH-LADGPHEKSA-N 2 1 389.547 3.830 20 0 GHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000479581584 868126006 /nfs/dbraw/zinc/12/60/06/868126006.db2.gz JORHSNDIFRMRAX-XLIONFOSSA-N 2 1 386.584 3.682 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553777007 868183428 /nfs/dbraw/zinc/18/34/28/868183428.db2.gz SMVRRHAQCDHFQL-SLYNCCJLSA-N 2 1 384.568 3.578 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000156159633 868272602 /nfs/dbraw/zinc/27/26/02/868272602.db2.gz UWSYEINAJDNIPA-UHFFFAOYSA-N 2 1 379.548 3.732 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000156595950 868410636 /nfs/dbraw/zinc/41/06/36/868410636.db2.gz IVHUKNFUQBAXQJ-DNQXCXABSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000524155890 868624539 /nfs/dbraw/zinc/62/45/39/868624539.db2.gz JTNDYXPMWAJJMV-TXTKFYIRSA-N 2 1 385.596 3.914 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156064 868625767 /nfs/dbraw/zinc/62/57/67/868625767.db2.gz FXHUQZSNPKMHPU-LJQANCHMSA-N 2 1 377.598 3.636 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000157607061 868701980 /nfs/dbraw/zinc/70/19/80/868701980.db2.gz DZOHTEGJWGPYMB-ROUUACIJSA-N 2 1 399.501 3.618 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000158198373 868891290 /nfs/dbraw/zinc/89/12/90/868891290.db2.gz NXDVIWCCRNCVNF-LAUBAEHRSA-N 2 1 390.572 3.568 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379618917 869009140 /nfs/dbraw/zinc/00/91/40/869009140.db2.gz AXRNOIUKHSMGIP-HKUYNNGSSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379618917 869009151 /nfs/dbraw/zinc/00/91/51/869009151.db2.gz AXRNOIUKHSMGIP-HKUYNNGSSA-N 2 1 375.557 3.932 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CC[C@@H]21 ZINC000539404290 869063385 /nfs/dbraw/zinc/06/33/85/869063385.db2.gz FZKSBCDKQHJILA-HIFRSBDPSA-N 2 1 389.284 3.967 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)CC2)cc1 ZINC000445883113 869082249 /nfs/dbraw/zinc/08/22/49/869082249.db2.gz CFQFBRXGRFEGEB-IBGZPJMESA-N 2 1 399.501 3.596 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000190770976 882266008 /nfs/dbraw/zinc/26/60/08/882266008.db2.gz ZXRPNYSODMUXRJ-HXUWFJFHSA-N 2 1 396.579 3.686 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000524653677 869407574 /nfs/dbraw/zinc/40/75/74/869407574.db2.gz APNWYCVSBHXFPJ-HNNXBMFYSA-N 2 1 381.549 3.784 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@@H]2CC[N@@H+](C)C2)n1 ZINC000524653677 869407582 /nfs/dbraw/zinc/40/75/82/869407582.db2.gz APNWYCVSBHXFPJ-HNNXBMFYSA-N 2 1 381.549 3.784 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000491274425 869542496 /nfs/dbraw/zinc/54/24/96/869542496.db2.gz ZMVNTOTZRWPSDP-PKOBYXMFSA-N 2 1 380.536 3.895 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000491274425 869542506 /nfs/dbraw/zinc/54/25/06/869542506.db2.gz ZMVNTOTZRWPSDP-PKOBYXMFSA-N 2 1 380.536 3.895 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1O ZINC000539815020 869840771 /nfs/dbraw/zinc/84/07/71/869840771.db2.gz JKRIWDPTXYSQQK-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1O ZINC000539815020 869840778 /nfs/dbraw/zinc/84/07/78/869840778.db2.gz JKRIWDPTXYSQQK-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818343 869847537 /nfs/dbraw/zinc/84/75/37/869847537.db2.gz WSHKWKATMZNALW-GDBMZVCRSA-N 2 1 397.357 3.915 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818343 869847547 /nfs/dbraw/zinc/84/75/47/869847547.db2.gz WSHKWKATMZNALW-GDBMZVCRSA-N 2 1 397.357 3.915 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818343 869847557 /nfs/dbraw/zinc/84/75/57/869847557.db2.gz WSHKWKATMZNALW-GDBMZVCRSA-N 2 1 397.357 3.915 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818343 869847568 /nfs/dbraw/zinc/84/75/68/869847568.db2.gz WSHKWKATMZNALW-GDBMZVCRSA-N 2 1 397.357 3.915 20 0 GHADMP CN(C)c1cccc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000539861318 869912488 /nfs/dbraw/zinc/91/24/88/869912488.db2.gz KJLCCGIYSRNDDJ-UHFFFAOYSA-N 2 1 380.580 3.915 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2)CC1 ZINC000539872367 869941183 /nfs/dbraw/zinc/94/11/83/869941183.db2.gz CBXJAXDTBSQZHE-VXKWHMMOSA-N 2 1 384.568 3.709 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000462740056 869996930 /nfs/dbraw/zinc/99/69/30/869996930.db2.gz REPZQIMPTYWLFY-DHIUTWEWSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000446585373 870061948 /nfs/dbraw/zinc/06/19/48/870061948.db2.gz JAWZJJDBGJGTBF-FQEVSTJZSA-N 2 1 388.943 3.869 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n(C)c1C ZINC000462795080 870096267 /nfs/dbraw/zinc/09/62/67/870096267.db2.gz MUJANNQBHAOLSN-KRWDZBQOSA-N 2 1 383.536 3.784 20 0 GHADMP CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000746248464 870140305 /nfs/dbraw/zinc/14/03/05/870140305.db2.gz RRJOZVPHVJFNQA-HSZRJFAPSA-N 2 1 395.547 3.645 20 0 GHADMP C[C@]1(c2ccccc2)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000446716096 870249622 /nfs/dbraw/zinc/24/96/22/870249622.db2.gz XHZCRBLDVHGBNN-VWLOTQADSA-N 2 1 391.559 3.562 20 0 GHADMP O=C(NCCCCCCC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746320107 870271184 /nfs/dbraw/zinc/27/11/84/870271184.db2.gz DCUHBAMDFHCXBK-IRLDBZIGSA-N 2 1 390.616 3.691 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248390012 870361060 /nfs/dbraw/zinc/36/10/60/870361060.db2.gz BKWAXKQRSHJCQK-HROJSSOGSA-N 2 1 395.547 3.688 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248390012 870361075 /nfs/dbraw/zinc/36/10/75/870361075.db2.gz BKWAXKQRSHJCQK-HROJSSOGSA-N 2 1 395.547 3.688 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@@](C)(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000538729388 870449031 /nfs/dbraw/zinc/44/90/31/870449031.db2.gz LWZONAJUVCJBHN-RUZDIDTESA-N 2 1 393.575 3.965 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248547753 870482021 /nfs/dbraw/zinc/48/20/21/870482021.db2.gz GISIFJVDCOHKFM-ZPZUNKDASA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248547753 870482030 /nfs/dbraw/zinc/48/20/30/870482030.db2.gz GISIFJVDCOHKFM-ZPZUNKDASA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000248547753 870482038 /nfs/dbraw/zinc/48/20/38/870482038.db2.gz GISIFJVDCOHKFM-ZPZUNKDASA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000248547753 870482047 /nfs/dbraw/zinc/48/20/47/870482047.db2.gz GISIFJVDCOHKFM-ZPZUNKDASA-N 2 1 392.591 3.792 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248655508 870579468 /nfs/dbraw/zinc/57/94/68/870579468.db2.gz BNXWPLMRIDQWQY-VXKWHMMOSA-N 2 1 388.939 3.774 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248655508 870579480 /nfs/dbraw/zinc/57/94/80/870579480.db2.gz BNXWPLMRIDQWQY-VXKWHMMOSA-N 2 1 388.939 3.774 20 0 GHADMP CCCCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000538795735 870621533 /nfs/dbraw/zinc/62/15/33/870621533.db2.gz SHEDMYGEZJOKMR-RZUBCFFCSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000538795735 870621539 /nfs/dbraw/zinc/62/15/39/870621539.db2.gz SHEDMYGEZJOKMR-RZUBCFFCSA-N 2 1 390.568 3.948 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCc2ccc4c(c2)OCCO4)C3)cc1 ZINC000248752628 870622209 /nfs/dbraw/zinc/62/22/09/870622209.db2.gz CEUGMXGQNYJIMG-DKUWSORSSA-N 2 1 378.516 3.786 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)CC1 ZINC001192832309 870703803 /nfs/dbraw/zinc/70/38/03/870703803.db2.gz GXFWPFRKYCRDDR-QFIPXVFZSA-N 2 1 393.575 3.997 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000538850117 870736943 /nfs/dbraw/zinc/73/69/43/870736943.db2.gz NYOXCCQWHQWKMR-IBGZPJMESA-N 3 1 393.019 3.694 20 0 GHADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)C1 ZINC000538850117 870736949 /nfs/dbraw/zinc/73/69/49/870736949.db2.gz NYOXCCQWHQWKMR-IBGZPJMESA-N 2 1 393.019 3.694 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)C1 ZINC000538850117 870736957 /nfs/dbraw/zinc/73/69/57/870736957.db2.gz NYOXCCQWHQWKMR-IBGZPJMESA-N 2 1 393.019 3.694 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000249409315 870824187 /nfs/dbraw/zinc/82/41/87/870824187.db2.gz DXBAKJKBWOJOSO-IEZWGBDMSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000249409315 870824196 /nfs/dbraw/zinc/82/41/96/870824196.db2.gz DXBAKJKBWOJOSO-IEZWGBDMSA-N 2 1 395.975 3.702 20 0 GHADMP COC(=O)C1(C)CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001168797812 870841761 /nfs/dbraw/zinc/84/17/61/870841761.db2.gz YJWLGHWFAQDNHN-RKXGBWJPSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001168797812 870841762 /nfs/dbraw/zinc/84/17/62/870841762.db2.gz YJWLGHWFAQDNHN-RKXGBWJPSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001168797812 870841773 /nfs/dbraw/zinc/84/17/73/870841773.db2.gz YJWLGHWFAQDNHN-RKXGBWJPSA-N 2 1 384.564 3.952 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCSc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000540244643 870844849 /nfs/dbraw/zinc/84/48/49/870844849.db2.gz CZFXTQUTASWANC-HDICACEKSA-N 2 1 396.572 3.508 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCSc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000540244643 870844852 /nfs/dbraw/zinc/84/48/52/870844852.db2.gz CZFXTQUTASWANC-HDICACEKSA-N 2 1 396.572 3.508 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CN1C(=O)OC(C)(C)C ZINC001168833807 870890872 /nfs/dbraw/zinc/89/08/72/870890872.db2.gz LAFRECHNMSGVCB-FUHWJXTLSA-N 2 1 391.531 3.559 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168840227 870901411 /nfs/dbraw/zinc/90/14/11/870901411.db2.gz STVNGADZFCOWII-JYRKZWEQSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168840227 870901422 /nfs/dbraw/zinc/90/14/22/870901422.db2.gz STVNGADZFCOWII-JYRKZWEQSA-N 2 1 387.568 3.885 20 0 GHADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299692 870940261 /nfs/dbraw/zinc/94/02/61/870940261.db2.gz QQFKNUVCXZLEBC-WMZOPIPTSA-N 2 1 385.474 3.580 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000540329143 871031136 /nfs/dbraw/zinc/03/11/36/871031136.db2.gz ZZWPFOXBSFFIFZ-OAQYLSRUSA-N 2 1 379.548 3.689 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463191724 871097340 /nfs/dbraw/zinc/09/73/40/871097340.db2.gz NSXRIZYAAVSWEA-AZUAARDMSA-N 2 1 384.520 3.725 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463191724 871097355 /nfs/dbraw/zinc/09/73/55/871097355.db2.gz NSXRIZYAAVSWEA-AZUAARDMSA-N 2 1 384.520 3.725 20 0 GHADMP Cc1ccccc1-c1ccccc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000449121198 871207510 /nfs/dbraw/zinc/20/75/10/871207510.db2.gz GVUTUSDVXVYTKU-UHFFFAOYSA-N 2 1 379.548 3.694 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC3CCOCC3)c(C(F)(F)F)c1)C2 ZINC001169118021 871208937 /nfs/dbraw/zinc/20/89/37/871208937.db2.gz BZMJJYRNJLYWDM-BJWYYQGGSA-N 2 1 398.469 3.978 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC3CCOCC3)c(C(F)(F)F)c1)C2 ZINC001169118021 871208951 /nfs/dbraw/zinc/20/89/51/871208951.db2.gz BZMJJYRNJLYWDM-BJWYYQGGSA-N 2 1 398.469 3.978 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(c3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539043105 871215699 /nfs/dbraw/zinc/21/56/99/871215699.db2.gz QCYSFKGPHXFXDP-UNMCSNQZSA-N 2 1 378.564 3.941 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000539071987 871257011 /nfs/dbraw/zinc/25/70/11/871257011.db2.gz ZZVRRAKQJDMBDT-FXAWDEMLSA-N 2 1 380.511 3.755 20 0 GHADMP C[N@@H+](C[C@@H](O)COc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000252481297 871316070 /nfs/dbraw/zinc/31/60/70/871316070.db2.gz UQJCYCYDTVUMEP-WOJBJXKFSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252481297 871316089 /nfs/dbraw/zinc/31/60/89/871316089.db2.gz UQJCYCYDTVUMEP-WOJBJXKFSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252481297 871316109 /nfs/dbraw/zinc/31/61/09/871316109.db2.gz UQJCYCYDTVUMEP-WOJBJXKFSA-N 2 1 388.939 3.534 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000091744656 871332226 /nfs/dbraw/zinc/33/22/26/871332226.db2.gz YOMXRXVJMGJEFR-AZUAARDMSA-N 2 1 392.385 3.538 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1)c1ccccc1 ZINC001169496366 871553153 /nfs/dbraw/zinc/55/31/53/871553153.db2.gz JGJYFHWIWQNHPA-HVCNVCAESA-N 2 1 391.559 3.660 20 0 GHADMP CCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000462118417 871646285 /nfs/dbraw/zinc/64/62/85/871646285.db2.gz WCSCFPRYMQRVRU-BJKOFHAPSA-N 2 1 393.575 3.885 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206014004 871707172 /nfs/dbraw/zinc/70/71/72/871707172.db2.gz UTJLPAJBWLRIDI-YPMHNXCESA-N 2 1 375.738 3.918 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001169663687 871731831 /nfs/dbraw/zinc/73/18/31/871731831.db2.gz ZKORCGRIGPMVQG-YSFYHYPLSA-N 2 1 385.552 3.783 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001169668633 871737575 /nfs/dbraw/zinc/73/75/75/871737575.db2.gz HFMDNUNSNAIVQD-SFHVURJKSA-N 2 1 379.932 3.601 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@](F)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168351120 882549954 /nfs/dbraw/zinc/54/99/54/882549954.db2.gz FIKQRIKRLWBDTB-OAQYLSRUSA-N 2 1 383.552 3.580 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821202 871849285 /nfs/dbraw/zinc/84/92/85/871849285.db2.gz GZEUQVYMVSFAOE-PZJWPPBQSA-N 2 1 386.584 3.800 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000092821657 871850288 /nfs/dbraw/zinc/85/02/88/871850288.db2.gz OHVNVSCTNZQHQP-UHFFFAOYSA-N 2 1 380.536 3.875 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC001194615687 871860788 /nfs/dbraw/zinc/86/07/88/871860788.db2.gz JHTHHTNRUUZZLA-VXKWHMMOSA-N 2 1 388.502 3.852 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC001194615687 871860802 /nfs/dbraw/zinc/86/08/02/871860802.db2.gz JHTHHTNRUUZZLA-VXKWHMMOSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC001194615687 871860819 /nfs/dbraw/zinc/86/08/19/871860819.db2.gz JHTHHTNRUUZZLA-VXKWHMMOSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCC(F)(F)[C@H](CO)C1)c1ccccc1 ZINC001194615687 871860833 /nfs/dbraw/zinc/86/08/33/871860833.db2.gz JHTHHTNRUUZZLA-VXKWHMMOSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](C)CCOCC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000447603707 871967658 /nfs/dbraw/zinc/96/76/58/871967658.db2.gz YPDBVTLTWUIGON-IBGZPJMESA-N 2 1 377.326 3.706 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093337016 872092593 /nfs/dbraw/zinc/09/25/93/872092593.db2.gz VHXGBLGVAFMQRY-KNQAVFIVSA-N 2 1 396.531 3.581 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000093337016 872092607 /nfs/dbraw/zinc/09/26/07/872092607.db2.gz VHXGBLGVAFMQRY-KNQAVFIVSA-N 2 1 396.531 3.581 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000093337016 872092624 /nfs/dbraw/zinc/09/26/24/872092624.db2.gz VHXGBLGVAFMQRY-KNQAVFIVSA-N 2 1 396.531 3.581 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775632662 872148057 /nfs/dbraw/zinc/14/80/57/872148057.db2.gz PIMWSMSUHFIPEB-JYRKZWEQSA-N 2 1 387.568 3.742 20 0 GHADMP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000477929320 872158544 /nfs/dbraw/zinc/15/85/44/872158544.db2.gz QZNQLXZNXHHIFV-TWDDROGUSA-N 2 1 382.523 3.619 20 0 GHADMP COc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OCc1ccncc1 ZINC000093659942 872325977 /nfs/dbraw/zinc/32/59/77/872325977.db2.gz OWYYFUVKNQBUHB-OAQYLSRUSA-N 2 1 383.536 3.975 20 0 GHADMP COc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1OCc1ccncc1 ZINC000093659942 872325989 /nfs/dbraw/zinc/32/59/89/872325989.db2.gz OWYYFUVKNQBUHB-OAQYLSRUSA-N 2 1 383.536 3.975 20 0 GHADMP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1OCc1ccncc1 ZINC000093659942 872326013 /nfs/dbraw/zinc/32/60/13/872326013.db2.gz OWYYFUVKNQBUHB-OAQYLSRUSA-N 2 1 383.536 3.975 20 0 GHADMP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1OCc1ccncc1 ZINC000093659942 872326024 /nfs/dbraw/zinc/32/60/24/872326024.db2.gz OWYYFUVKNQBUHB-OAQYLSRUSA-N 2 1 383.536 3.975 20 0 GHADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037412 872350697 /nfs/dbraw/zinc/35/06/97/872350697.db2.gz QBNPXLCYNPSRJB-OFNKIYASSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037412 872350716 /nfs/dbraw/zinc/35/07/16/872350716.db2.gz QBNPXLCYNPSRJB-OFNKIYASSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037412 872350735 /nfs/dbraw/zinc/35/07/35/872350735.db2.gz QBNPXLCYNPSRJB-OFNKIYASSA-N 2 1 382.548 3.757 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000478037412 872350748 /nfs/dbraw/zinc/35/07/48/872350748.db2.gz QBNPXLCYNPSRJB-OFNKIYASSA-N 2 1 382.548 3.757 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[N@@H+]3CCCC[C@@H]3C)c2C)cc1 ZINC000463739685 872456501 /nfs/dbraw/zinc/45/65/01/872456501.db2.gz XBVUHJGVIVUXIZ-SFHVURJKSA-N 2 1 384.568 3.911 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[N@H+]3CCCC[C@@H]3C)c2C)cc1 ZINC000463739685 872456507 /nfs/dbraw/zinc/45/65/07/872456507.db2.gz XBVUHJGVIVUXIZ-SFHVURJKSA-N 2 1 384.568 3.911 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CC3(C[NH+](C)C)CCCC3)c2C)cc1 ZINC000463739550 872456585 /nfs/dbraw/zinc/45/65/85/872456585.db2.gz OFDLJNKTNVWATQ-UHFFFAOYSA-N 2 1 384.568 3.768 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000541161836 873040125 /nfs/dbraw/zinc/04/01/25/873040125.db2.gz CNIUFMJNRZACAR-UHFFFAOYSA-N 2 1 379.911 3.614 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccnn1-c1ccccc1 ZINC000467378156 882684287 /nfs/dbraw/zinc/68/42/87/882684287.db2.gz QUUBKBOALUNBIR-PMACEKPBSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccnn1-c1ccccc1 ZINC000467378156 882684294 /nfs/dbraw/zinc/68/42/94/882684294.db2.gz QUUBKBOALUNBIR-PMACEKPBSA-N 2 1 390.531 3.944 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000134046870 882708922 /nfs/dbraw/zinc/70/89/22/882708922.db2.gz TXNDCVUNURRAOK-NKKJXINNSA-N 2 1 380.580 3.965 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000134046870 882708929 /nfs/dbraw/zinc/70/89/29/882708929.db2.gz TXNDCVUNURRAOK-NKKJXINNSA-N 2 1 380.580 3.965 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1NC(C)=O ZINC000122797401 882711784 /nfs/dbraw/zinc/71/17/84/882711784.db2.gz ZOBNSBOMBAFTME-KRWDZBQOSA-N 2 1 381.520 3.753 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1NC(C)=O ZINC000122797401 882711798 /nfs/dbraw/zinc/71/17/98/882711798.db2.gz ZOBNSBOMBAFTME-KRWDZBQOSA-N 2 1 381.520 3.753 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000448420844 873355756 /nfs/dbraw/zinc/35/57/56/873355756.db2.gz HTBLAPIOFOFQME-RTWAWAEBSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000448420844 873355762 /nfs/dbraw/zinc/35/57/62/873355762.db2.gz HTBLAPIOFOFQME-RTWAWAEBSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000448420844 873355772 /nfs/dbraw/zinc/35/57/72/873355772.db2.gz HTBLAPIOFOFQME-RTWAWAEBSA-N 2 1 389.559 3.522 20 0 GHADMP FC(F)(F)CN1CCC(Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)CC1 ZINC001170446355 882724580 /nfs/dbraw/zinc/72/45/80/882724580.db2.gz XXRPFCBDEFLUSJ-QGZVFWFLSA-N 2 1 395.473 3.790 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197220638 873656904 /nfs/dbraw/zinc/65/69/04/873656904.db2.gz KMJVMCRCOBGPDN-OAQYLSRUSA-N 2 1 378.561 3.616 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197220638 873656909 /nfs/dbraw/zinc/65/69/09/873656909.db2.gz KMJVMCRCOBGPDN-OAQYLSRUSA-N 2 1 378.561 3.616 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000760161431 882750450 /nfs/dbraw/zinc/75/04/50/882750450.db2.gz VCLMVDJQLBRAIA-FXAWDEMLSA-N 2 1 375.557 3.585 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000541539171 873793561 /nfs/dbraw/zinc/79/35/61/873793561.db2.gz WGWSEVUHWMCSDO-UHFFFAOYSA-N 2 1 393.373 3.959 20 0 GHADMP COC1(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000550882200 882763319 /nfs/dbraw/zinc/76/33/19/882763319.db2.gz KCKSNACPVCWEQW-RBBKRZOGSA-N 2 1 386.580 3.853 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000541600870 873923316 /nfs/dbraw/zinc/92/33/16/873923316.db2.gz ANSOUZBVSPLALQ-ZHRMCQFGSA-N 2 1 383.580 3.805 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000541600870 873923321 /nfs/dbraw/zinc/92/33/21/873923321.db2.gz ANSOUZBVSPLALQ-ZHRMCQFGSA-N 2 1 383.580 3.805 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000465557307 882780933 /nfs/dbraw/zinc/78/09/33/882780933.db2.gz FYYHEIGCXLDGDO-QHCPKHFHSA-N 2 1 398.595 3.523 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000177815170 882829229 /nfs/dbraw/zinc/82/92/29/882829229.db2.gz VGOALVLIBQQVNM-MRXNPFEDSA-N 2 1 378.476 3.787 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000449100322 874470819 /nfs/dbraw/zinc/47/08/19/874470819.db2.gz BNJIJHDSJBRPLO-YKSBVNFPSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000449100318 874471221 /nfs/dbraw/zinc/47/12/21/874471221.db2.gz BNJIJHDSJBRPLO-HYBUGGRVSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000449151158 874540342 /nfs/dbraw/zinc/54/03/42/874540342.db2.gz WHAXAQRVUSDNNM-HUUCEWRRSA-N 2 1 375.340 3.587 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000449155923 874544141 /nfs/dbraw/zinc/54/41/41/874544141.db2.gz CMGWXTIABRAFRM-HNAYVOBHSA-N 2 1 375.538 3.734 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000449155923 874544149 /nfs/dbraw/zinc/54/41/49/874544149.db2.gz CMGWXTIABRAFRM-HNAYVOBHSA-N 2 1 375.538 3.734 20 0 GHADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449186339 874579581 /nfs/dbraw/zinc/57/95/81/874579581.db2.gz KSLQAHKLJBNMLS-PMACEKPBSA-N 2 1 389.540 3.807 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000770379128 874620116 /nfs/dbraw/zinc/62/01/16/874620116.db2.gz KUDMZGMAMUYBPV-HKUYNNGSSA-N 2 1 391.556 3.505 20 0 GHADMP COc1ccccc1[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858101008 882846516 /nfs/dbraw/zinc/84/65/16/882846516.db2.gz WMDBKZRSRCSBND-FUHWJXTLSA-N 2 1 391.556 3.723 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000528691678 874900641 /nfs/dbraw/zinc/90/06/41/874900641.db2.gz MGXRXTIETAMCQH-HSZRJFAPSA-N 2 1 392.547 3.707 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3C(F)(F)F)cc2)CC1 ZINC001199275558 874907239 /nfs/dbraw/zinc/90/72/39/874907239.db2.gz KRYORPSLYMSDEP-UHFFFAOYSA-N 2 1 395.444 3.882 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000528697661 874907358 /nfs/dbraw/zinc/90/73/58/874907358.db2.gz OEKYYDDFLDHWPD-DNVJHFABSA-N 2 1 385.596 3.725 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000528721494 874958908 /nfs/dbraw/zinc/95/89/08/874958908.db2.gz QDMRAEPLWWLDRC-HNNXBMFYSA-N 2 1 391.475 3.545 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000465558829 882884277 /nfs/dbraw/zinc/88/42/77/882884277.db2.gz UMZPMPWVJHOFQK-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000428531329 882897185 /nfs/dbraw/zinc/89/71/85/882897185.db2.gz ATYRELRANCWWNX-SDUSCBPUSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000428531329 882897203 /nfs/dbraw/zinc/89/72/03/882897203.db2.gz ATYRELRANCWWNX-SDUSCBPUSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000428531329 882897226 /nfs/dbraw/zinc/89/72/26/882897226.db2.gz ATYRELRANCWWNX-SDUSCBPUSA-N 2 1 393.575 3.703 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542177686 875123827 /nfs/dbraw/zinc/12/38/27/875123827.db2.gz UQXHFRNGOLODLB-PZJWPPBQSA-N 2 1 395.950 3.992 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(F)c1OC(F)(F)F ZINC001199823949 875211552 /nfs/dbraw/zinc/21/15/52/875211552.db2.gz YCVAGYUKZUTNNG-UHFFFAOYSA-N 2 1 386.389 3.955 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000105451212 875298582 /nfs/dbraw/zinc/29/85/82/875298582.db2.gz YTNDHEUTSDEHAH-UHFFFAOYSA-N 2 1 398.576 3.920 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000303237117 875324033 /nfs/dbraw/zinc/32/40/33/875324033.db2.gz YBIBLKCUJTYUHQ-RTWAWAEBSA-N 2 1 392.632 3.650 20 0 GHADMP COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000449778773 875381960 /nfs/dbraw/zinc/38/19/60/875381960.db2.gz CEOVWFDMNKFLJD-CQSZACIVSA-N 2 1 377.529 3.778 20 0 GHADMP COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)c1 ZINC000449778773 875381976 /nfs/dbraw/zinc/38/19/76/875381976.db2.gz CEOVWFDMNKFLJD-CQSZACIVSA-N 2 1 377.529 3.778 20 0 GHADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)CC1 ZINC000542384429 875482184 /nfs/dbraw/zinc/48/21/84/875482184.db2.gz QDJNYFBNLNQNSS-RTWAWAEBSA-N 2 1 398.595 3.684 20 0 GHADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000542405496 875509151 /nfs/dbraw/zinc/50/91/51/875509151.db2.gz JMCMNUZMQCYBMP-FDDCHVKYSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542405496 875509154 /nfs/dbraw/zinc/50/91/54/875509154.db2.gz JMCMNUZMQCYBMP-FDDCHVKYSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542405496 875509157 /nfs/dbraw/zinc/50/91/57/875509157.db2.gz JMCMNUZMQCYBMP-FDDCHVKYSA-N 2 1 377.532 3.531 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001201475130 875728151 /nfs/dbraw/zinc/72/81/51/875728151.db2.gz SQXKDYRTHSFLAQ-YADHBBJMSA-N 3 1 389.547 3.566 20 0 GHADMP CN1CCN(c2cc[nH+]cc2NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001201475130 875728160 /nfs/dbraw/zinc/72/81/60/875728160.db2.gz SQXKDYRTHSFLAQ-YADHBBJMSA-N 2 1 389.547 3.566 20 0 GHADMP CN1CCN(c2cc[nH+]cc2NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001201475130 875728171 /nfs/dbraw/zinc/72/81/71/875728171.db2.gz SQXKDYRTHSFLAQ-YADHBBJMSA-N 2 1 389.547 3.566 20 0 GHADMP C[NH+]1CCN(c2cccnc2NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001201474670 875728434 /nfs/dbraw/zinc/72/84/34/875728434.db2.gz JYEIBRPIQQOMCB-YADHBBJMSA-N 2 1 389.547 3.566 20 0 GHADMP C[C@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947044 875948845 /nfs/dbraw/zinc/94/88/45/875948845.db2.gz QNRGFOXIPVLBLK-KBPBESRZSA-N 2 1 382.451 3.759 20 0 GHADMP C[C@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947044 875948853 /nfs/dbraw/zinc/94/88/53/875948853.db2.gz QNRGFOXIPVLBLK-KBPBESRZSA-N 2 1 382.451 3.759 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](CCCC(F)(F)F)CC2 ZINC001202405281 876178442 /nfs/dbraw/zinc/17/84/42/876178442.db2.gz PZEZEDRCUAETHF-GOSISDBHSA-N 2 1 392.506 3.558 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC(F)(F)C1 ZINC000529585803 876361247 /nfs/dbraw/zinc/36/12/47/876361247.db2.gz GFKCJAYQDXFOEW-YLJYHZDGSA-N 2 1 378.507 3.939 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000173416392 876376705 /nfs/dbraw/zinc/37/67/05/876376705.db2.gz NDWORBHTMVMFFX-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000173416392 876376718 /nfs/dbraw/zinc/37/67/18/876376718.db2.gz NDWORBHTMVMFFX-OAQYLSRUSA-N 2 1 398.551 3.537 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC000192919881 883046691 /nfs/dbraw/zinc/04/66/91/883046691.db2.gz QUCOBCQHGBLCTC-QGZVFWFLSA-N 2 1 376.447 3.908 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC000192919881 883046710 /nfs/dbraw/zinc/04/67/10/883046710.db2.gz QUCOBCQHGBLCTC-QGZVFWFLSA-N 2 1 376.447 3.908 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000450563643 876620076 /nfs/dbraw/zinc/62/00/76/876620076.db2.gz OHTQBDYAXIDZBW-YTFSRNRJSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)C1 ZINC000450563643 876620088 /nfs/dbraw/zinc/62/00/88/876620088.db2.gz OHTQBDYAXIDZBW-YTFSRNRJSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C(C)C)[C@@H](C)C1 ZINC000450563643 876620092 /nfs/dbraw/zinc/62/00/92/876620092.db2.gz OHTQBDYAXIDZBW-YTFSRNRJSA-N 2 1 378.649 3.518 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3sc(Br)cc32)C[C@H](C)O1 ZINC000551014295 883064910 /nfs/dbraw/zinc/06/49/10/883064910.db2.gz RSDVXNCOAJJQIH-GUTXKFCHSA-N 2 1 387.387 3.977 20 0 GHADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC000850402592 876882631 /nfs/dbraw/zinc/88/26/31/876882631.db2.gz PIGVTBSBHICORQ-INIZCTEOSA-N 2 1 378.442 3.820 20 0 GHADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]n1 ZINC000850402592 876882639 /nfs/dbraw/zinc/88/26/39/876882639.db2.gz PIGVTBSBHICORQ-INIZCTEOSA-N 2 1 378.442 3.820 20 0 GHADMP CC[C@H]1C[NH+](Cc2cc(C[N@H+]3CCCO[C@@H](CC)C3)ccc2F)CCCO1 ZINC000450899421 877061889 /nfs/dbraw/zinc/06/18/89/877061889.db2.gz DLUKQZNLMUVEAV-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP CC[C@H]1C[NH+](Cc2ccc(F)c(C[N@@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000450899421 877061900 /nfs/dbraw/zinc/06/19/00/877061900.db2.gz DLUKQZNLMUVEAV-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP CC[C@H]1C[NH+](Cc2ccc(F)c(C[N@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000450899421 877061910 /nfs/dbraw/zinc/06/19/10/877061910.db2.gz DLUKQZNLMUVEAV-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000174525992 877074515 /nfs/dbraw/zinc/07/45/15/877074515.db2.gz ZCLQEJBVTZRDJO-PXNSSMCTSA-N 2 1 392.613 3.695 20 0 GHADMP CCN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1nc2ccccc2s1 ZINC000123163723 883104041 /nfs/dbraw/zinc/10/40/41/883104041.db2.gz LNDNAWYLJBYDCM-UHFFFAOYSA-N 2 1 388.581 3.703 20 0 GHADMP Clc1cccc(-c2noc(CCN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000134916708 883106316 /nfs/dbraw/zinc/10/63/16/883106316.db2.gz JSTLOHCDTWKAQX-VQIMIIECSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000134916708 883106325 /nfs/dbraw/zinc/10/63/25/883106325.db2.gz JSTLOHCDTWKAQX-VQIMIIECSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000134916708 883106335 /nfs/dbraw/zinc/10/63/35/883106335.db2.gz JSTLOHCDTWKAQX-VQIMIIECSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000134916708 883106344 /nfs/dbraw/zinc/10/63/44/883106344.db2.gz JSTLOHCDTWKAQX-VQIMIIECSA-N 2 1 386.927 3.881 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000530242860 877353079 /nfs/dbraw/zinc/35/30/79/877353079.db2.gz VKXZFYSHLCGWKU-FQEVSTJZSA-N 2 1 386.565 3.786 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000551538362 877403833 /nfs/dbraw/zinc/40/38/33/877403833.db2.gz HXVFRHPQBWSRJF-UPZYVNNASA-N 2 1 399.604 3.827 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC000666996833 877428161 /nfs/dbraw/zinc/42/81/61/877428161.db2.gz HUNAVJGZEXRPIY-GFCCVEGCSA-N 2 1 375.257 3.815 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1C ZINC000121623915 877483312 /nfs/dbraw/zinc/48/33/12/877483312.db2.gz ALNBNCRXCGXCJT-LJQANCHMSA-N 2 1 398.551 3.991 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C[C@H](C)O1 ZINC000175160486 877500654 /nfs/dbraw/zinc/50/06/54/877500654.db2.gz PMSMFWNLZQLXQH-IRXDYDNUSA-N 2 1 387.499 3.802 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433536 877871686 /nfs/dbraw/zinc/87/16/86/877871686.db2.gz PHQQWQSYTQUJAR-GREBRCKQSA-N 2 1 399.604 3.924 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1C ZINC000851797377 877914895 /nfs/dbraw/zinc/91/48/95/877914895.db2.gz PVMFSYXNRTZCBT-YLJYHZDGSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1C ZINC000851797377 877914902 /nfs/dbraw/zinc/91/49/02/877914902.db2.gz PVMFSYXNRTZCBT-YLJYHZDGSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[NH+]1C ZINC000851797377 877914913 /nfs/dbraw/zinc/91/49/13/877914913.db2.gz PVMFSYXNRTZCBT-YLJYHZDGSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[NH+]1C ZINC000851797377 877914916 /nfs/dbraw/zinc/91/49/16/877914916.db2.gz PVMFSYXNRTZCBT-YLJYHZDGSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000788240279 877939906 /nfs/dbraw/zinc/93/99/06/877939906.db2.gz JHNHFLJSHSDFCR-WCIQWLHISA-N 2 1 397.604 3.691 20 0 GHADMP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713157 912295039 /nfs/dbraw/zinc/29/50/39/912295039.db2.gz SBAQHKYJNWUVQO-FQEVSTJZSA-N 2 1 383.580 3.942 20 0 GHADMP CSc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000642713096 912295362 /nfs/dbraw/zinc/29/53/62/912295362.db2.gz JOJIXUVDSSCYAG-UHFFFAOYSA-N 2 1 375.582 3.935 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000551971816 878075415 /nfs/dbraw/zinc/07/54/15/878075415.db2.gz WVNYBZGXPQQYOY-JXTFVVQCSA-N 2 1 399.604 3.876 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000551971813 878075877 /nfs/dbraw/zinc/07/58/77/878075877.db2.gz WVNYBZGXPQQYOY-JIKIWWBOSA-N 2 1 399.604 3.876 20 0 GHADMP CC[C@@H](c1ccc(F)cc1F)N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538657 878098402 /nfs/dbraw/zinc/09/84/02/878098402.db2.gz TWXCGDYHDCWGNL-AVRDEDQJSA-N 2 1 393.522 3.682 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cc1F ZINC000788563858 878156632 /nfs/dbraw/zinc/15/66/32/878156632.db2.gz ODFXBUXAQHSDQL-CQSZACIVSA-N 2 1 388.487 3.665 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000245590015 878160368 /nfs/dbraw/zinc/16/03/68/878160368.db2.gz AXLRYSXTGFZLPS-WSTZPKSXSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000245590015 878160379 /nfs/dbraw/zinc/16/03/79/878160379.db2.gz AXLRYSXTGFZLPS-WSTZPKSXSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000245590015 878160390 /nfs/dbraw/zinc/16/03/90/878160390.db2.gz AXLRYSXTGFZLPS-WSTZPKSXSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000248661946 912320562 /nfs/dbraw/zinc/32/05/62/912320562.db2.gz GBUJSVCFNFCPLT-ZWCUEREDSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000248661946 912320582 /nfs/dbraw/zinc/32/05/82/912320582.db2.gz GBUJSVCFNFCPLT-ZWCUEREDSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000248661946 912320602 /nfs/dbraw/zinc/32/06/02/912320602.db2.gz GBUJSVCFNFCPLT-ZWCUEREDSA-N 2 1 377.573 3.582 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)C3)cc1 ZINC000245653422 878292144 /nfs/dbraw/zinc/29/21/44/878292144.db2.gz CZVZGBZANFIDPY-BKFWDETESA-N 2 1 391.559 3.808 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000616082557 878486743 /nfs/dbraw/zinc/48/67/43/878486743.db2.gz AXNYUZGWQGHRIQ-OYRHEFFESA-N 2 1 394.648 3.898 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000616082557 878486753 /nfs/dbraw/zinc/48/67/53/878486753.db2.gz AXNYUZGWQGHRIQ-OYRHEFFESA-N 2 1 394.648 3.898 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000616082557 878486769 /nfs/dbraw/zinc/48/67/69/878486769.db2.gz AXNYUZGWQGHRIQ-OYRHEFFESA-N 2 1 394.648 3.898 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000537962005 878597306 /nfs/dbraw/zinc/59/73/06/878597306.db2.gz HASLCMAODIVSDX-XPWALMASSA-N 2 1 384.564 3.747 20 0 GHADMP COC1CC[NH+](C(C)(C)CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000530858635 878628833 /nfs/dbraw/zinc/62/88/33/878628833.db2.gz VYMVLYBCXNBRDE-UHFFFAOYSA-N 2 1 375.601 3.624 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000530858635 878628846 /nfs/dbraw/zinc/62/88/46/878628846.db2.gz VYMVLYBCXNBRDE-UHFFFAOYSA-N 2 1 375.601 3.624 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000530858635 878628852 /nfs/dbraw/zinc/62/88/52/878628852.db2.gz VYMVLYBCXNBRDE-UHFFFAOYSA-N 2 1 375.601 3.624 20 0 GHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000537969775 878641630 /nfs/dbraw/zinc/64/16/30/878641630.db2.gz QIKQVCRWRHLXDK-KURKYZTESA-N 2 1 395.975 3.845 20 0 GHADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(Br)c1 ZINC000245858883 878663623 /nfs/dbraw/zinc/66/36/23/878663623.db2.gz HOWKBLDBJLJHPO-ROUUACIJSA-N 2 1 387.337 3.866 20 0 GHADMP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245964774 878807325 /nfs/dbraw/zinc/80/73/25/878807325.db2.gz DLQNMZMRPLYVHT-QZTJIDSGSA-N 2 1 377.598 3.729 20 0 GHADMP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245964774 878807342 /nfs/dbraw/zinc/80/73/42/878807342.db2.gz DLQNMZMRPLYVHT-QZTJIDSGSA-N 2 1 377.598 3.729 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000460951367 878848324 /nfs/dbraw/zinc/84/83/24/878848324.db2.gz WFSFSKZVZPZODQ-UHFFFAOYSA-N 2 1 396.579 3.916 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)C1CCCCC1 ZINC000246018879 878864715 /nfs/dbraw/zinc/86/47/15/878864715.db2.gz JODKQSKDGSSKKM-FCHUYYIVSA-N 2 1 392.609 3.897 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000853239567 878922518 /nfs/dbraw/zinc/92/25/18/878922518.db2.gz HWQHOFCPYPCYNC-PKOBYXMFSA-N 2 1 379.589 3.734 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177969055 878931639 /nfs/dbraw/zinc/93/16/39/878931639.db2.gz NQMABPBDDXMSEL-NRFANRHFSA-N 3 1 395.591 3.985 20 0 GHADMP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177969055 878931656 /nfs/dbraw/zinc/93/16/56/878931656.db2.gz NQMABPBDDXMSEL-NRFANRHFSA-N 2 1 395.591 3.985 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178245904 879057792 /nfs/dbraw/zinc/05/77/92/879057792.db2.gz IBFVYMRJIIFREM-TZIWHRDSSA-N 2 1 383.580 3.983 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cc1ccccc1 ZINC000531167378 879249982 /nfs/dbraw/zinc/24/99/82/879249982.db2.gz XQYYVZMWQBAAIL-UHFFFAOYSA-N 2 1 399.966 3.800 20 0 GHADMP C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459172 879582161 /nfs/dbraw/zinc/58/21/61/879582161.db2.gz FHKKKHLKKNAJEO-OEOAZWSVSA-N 2 1 391.559 3.966 20 0 GHADMP O=C1O[C@@]2(CN1C[N@H+]1C[C@H](c3ccccc3)[C@H]3CCCC[C@H]31)C[NH+]1CCC2CC1 ZINC000790385967 879656904 /nfs/dbraw/zinc/65/69/04/879656904.db2.gz OPGAQMZYXCBPTD-GBEXAXCTSA-N 2 1 395.547 3.519 20 0 GHADMP Cc1cccc([C@@H]2CCCC[N@H+]2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)c1C ZINC000790366007 879669351 /nfs/dbraw/zinc/66/93/51/879669351.db2.gz JTHFIDCQAZXMNL-JTHBVZDNSA-N 2 1 383.536 3.705 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000246739113 879784380 /nfs/dbraw/zinc/78/43/80/879784380.db2.gz GQHOZLRUEGVIRZ-MPGHIAIKSA-N 2 1 394.357 3.501 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000246767056 879797438 /nfs/dbraw/zinc/79/74/38/879797438.db2.gz HXIMYYGBPCNQBI-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000246767056 879797445 /nfs/dbraw/zinc/79/74/45/879797445.db2.gz HXIMYYGBPCNQBI-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246767056 879797448 /nfs/dbraw/zinc/79/74/48/879797448.db2.gz HXIMYYGBPCNQBI-OIBXWCBGSA-N 2 1 398.595 3.687 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246789070 879804320 /nfs/dbraw/zinc/80/43/20/879804320.db2.gz MEUOYVAWIXBBQF-LJHODMEESA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246789070 879804325 /nfs/dbraw/zinc/80/43/25/879804325.db2.gz MEUOYVAWIXBBQF-LJHODMEESA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246789070 879804338 /nfs/dbraw/zinc/80/43/38/879804338.db2.gz MEUOYVAWIXBBQF-LJHODMEESA-N 2 1 399.362 3.682 20 0 GHADMP C[N@@H+]1CCC[C@H]2C[NH+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]21 ZINC000246822428 879815295 /nfs/dbraw/zinc/81/52/95/879815295.db2.gz RJUYIXOCSLZRID-MAUKXSAKSA-N 2 1 377.326 3.641 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]21 ZINC000246822428 879815298 /nfs/dbraw/zinc/81/52/98/879815298.db2.gz RJUYIXOCSLZRID-MAUKXSAKSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]21 ZINC000246822428 879815304 /nfs/dbraw/zinc/81/53/04/879815304.db2.gz RJUYIXOCSLZRID-MAUKXSAKSA-N 2 1 377.326 3.641 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3=Cc4cc(Br)ccc4OC3)CC[C@H]21 ZINC000246822428 879815311 /nfs/dbraw/zinc/81/53/11/879815311.db2.gz RJUYIXOCSLZRID-MAUKXSAKSA-N 2 1 377.326 3.641 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246859539 879831196 /nfs/dbraw/zinc/83/11/96/879831196.db2.gz PNGDLSDACJVOJR-PWIZWCRZSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246859539 879831208 /nfs/dbraw/zinc/83/12/08/879831208.db2.gz PNGDLSDACJVOJR-PWIZWCRZSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246859539 879831222 /nfs/dbraw/zinc/83/12/22/879831222.db2.gz PNGDLSDACJVOJR-PWIZWCRZSA-N 2 1 382.470 3.558 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000247073638 879909198 /nfs/dbraw/zinc/90/91/98/879909198.db2.gz OKGUIHNCLIQQMA-JQVVWYNYSA-N 2 1 387.568 3.601 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCC[C@@H](C)C1 ZINC000247376793 879983728 /nfs/dbraw/zinc/98/37/28/879983728.db2.gz DYCQGHZPVPYXIS-SOAMZJECSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247376793 879983743 /nfs/dbraw/zinc/98/37/43/879983743.db2.gz DYCQGHZPVPYXIS-SOAMZJECSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@H+]1CCC[C@@H](C)C1 ZINC000247376793 879983755 /nfs/dbraw/zinc/98/37/55/879983755.db2.gz DYCQGHZPVPYXIS-SOAMZJECSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677421 880306735 /nfs/dbraw/zinc/30/67/35/880306735.db2.gz VZBCGNZETRQJPZ-PXNSSMCTSA-N 2 1 375.557 3.787 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000531683046 880314988 /nfs/dbraw/zinc/31/49/88/880314988.db2.gz SJBSBDIFIWNKGU-KBRIMQKVSA-N 2 1 385.430 3.519 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453056242 880405876 /nfs/dbraw/zinc/40/58/76/880405876.db2.gz FJNZJRUHXTWPSQ-NSHDSACASA-N 2 1 387.240 3.676 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(F)c(I)c1 ZINC000453112326 880482090 /nfs/dbraw/zinc/48/20/90/880482090.db2.gz CFRGCNRWQWEADM-MDZLAQPJSA-N 2 1 376.257 3.564 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)c(I)c1 ZINC000453112326 880482094 /nfs/dbraw/zinc/48/20/94/880482094.db2.gz CFRGCNRWQWEADM-MDZLAQPJSA-N 2 1 376.257 3.564 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CCN(c3c(C)c[nH+]c4c(C)cccc43)CC2)CC1 ZINC000185303349 880536976 /nfs/dbraw/zinc/53/69/76/880536976.db2.gz OFBCIOJAPVAZLV-UHFFFAOYSA-N 2 1 394.563 3.622 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453155502 880549577 /nfs/dbraw/zinc/54/95/77/880549577.db2.gz URNOECIEXBAMMB-BWAGFHJFSA-N 2 1 382.552 3.524 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453155502 880549579 /nfs/dbraw/zinc/54/95/79/880549579.db2.gz URNOECIEXBAMMB-BWAGFHJFSA-N 2 1 382.552 3.524 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCOCC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453158522 880556050 /nfs/dbraw/zinc/55/60/50/880556050.db2.gz KADRPIGUPZHLAM-WZYRSQIMSA-N 2 1 384.564 3.747 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@@H]2CCC[C@H]21 ZINC000453334987 880806226 /nfs/dbraw/zinc/80/62/26/880806226.db2.gz FCLJRFAUVFATSI-ZWVMGRIOSA-N 2 1 386.490 3.606 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(I)c1 ZINC000453345407 880818045 /nfs/dbraw/zinc/81/80/45/880818045.db2.gz JYRCBQRVXCUBFP-NDNKKMJESA-N 2 1 388.268 3.706 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCO1 ZINC000453364570 880845881 /nfs/dbraw/zinc/84/58/81/880845881.db2.gz VIIJCTKQFACYPJ-COIJTRFSSA-N 2 1 394.563 3.673 20 0 GHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)NCCc1ccccc1 ZINC000453374585 880859060 /nfs/dbraw/zinc/85/90/60/880859060.db2.gz ZPDNCOGWLRTNFQ-XOYNAWAESA-N 2 1 393.575 3.767 20 0 GHADMP Cn1nccc1[C@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453374423 880859103 /nfs/dbraw/zinc/85/91/03/880859103.db2.gz ZIEHPMWLZXTZHR-SVOTWOFTSA-N 2 1 382.552 3.673 20 0 GHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000286194406 912620848 /nfs/dbraw/zinc/62/08/48/912620848.db2.gz XQABETZHKGYRSI-LBPRGKRZSA-N 2 1 389.849 3.927 20 0 GHADMP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000453467755 880975022 /nfs/dbraw/zinc/97/50/22/880975022.db2.gz ZDERCSKSQNOOGE-JBXUNAHCSA-N 2 1 378.560 3.992 20 0 GHADMP CC[C@@H](C)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000532139589 881278813 /nfs/dbraw/zinc/27/88/13/881278813.db2.gz IKKVIWDYVOFSFJ-OXQOHEQNSA-N 2 1 387.959 3.759 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170271376 881287254 /nfs/dbraw/zinc/28/72/54/881287254.db2.gz BSCJOZZRSNFTFT-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170271376 881287266 /nfs/dbraw/zinc/28/72/66/881287266.db2.gz BSCJOZZRSNFTFT-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170271376 881287275 /nfs/dbraw/zinc/28/72/75/881287275.db2.gz BSCJOZZRSNFTFT-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000392200662 883158380 /nfs/dbraw/zinc/15/83/80/883158380.db2.gz XXGCYSCISDTWKD-UHFFFAOYSA-N 2 1 379.220 3.699 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCN(C)[C@@H](c4ccccc4)C3)CC2)oc1C ZINC000551049835 883171380 /nfs/dbraw/zinc/17/13/80/883171380.db2.gz BSMLONYMXXMQJA-XZOQPEGZSA-N 2 1 396.579 3.929 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000193383165 883247537 /nfs/dbraw/zinc/24/75/37/883247537.db2.gz AJWOHHRLADMLDN-IBGZPJMESA-N 2 1 398.595 3.592 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000476953626 883471721 /nfs/dbraw/zinc/47/17/21/883471721.db2.gz TWUGMEGBIGKVEF-UHFFFAOYSA-N 2 1 383.536 3.902 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000476988697 883523166 /nfs/dbraw/zinc/52/31/66/883523166.db2.gz TWZCYEUUQCYBKI-FPOVZHCZSA-N 2 1 399.579 3.884 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000078641153 883539242 /nfs/dbraw/zinc/53/92/42/883539242.db2.gz XVLQVSCUFXRWDK-UHFFFAOYSA-N 2 1 375.516 3.872 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859255558 883697167 /nfs/dbraw/zinc/69/71/67/883697167.db2.gz OFTRHVMRLZCMFI-RXVVDRJESA-N 2 1 387.568 3.744 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859255558 883697177 /nfs/dbraw/zinc/69/71/77/883697177.db2.gz OFTRHVMRLZCMFI-RXVVDRJESA-N 2 1 387.568 3.744 20 0 GHADMP Cn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1SCC[C@@H]1CCCC[NH+]1C ZINC000551423939 883850353 /nfs/dbraw/zinc/85/03/53/883850353.db2.gz QNWCLLWPTCIUKG-CALCHBBNSA-N 2 1 397.658 3.748 20 0 GHADMP Cn1c(SCC[C@H]2CCCC[NH+]2C)nnc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000551423939 883850372 /nfs/dbraw/zinc/85/03/72/883850372.db2.gz QNWCLLWPTCIUKG-CALCHBBNSA-N 2 1 397.658 3.748 20 0 GHADMP Cn1c(SCC[C@H]2CCCC[NH+]2C)nnc1SCC[C@@H]1CCCC[N@H+]1C ZINC000551423939 883850390 /nfs/dbraw/zinc/85/03/90/883850390.db2.gz QNWCLLWPTCIUKG-CALCHBBNSA-N 2 1 397.658 3.748 20 0 GHADMP CC[C@H]1CC([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483727 883880567 /nfs/dbraw/zinc/88/05/67/883880567.db2.gz IOTPNKLHYQMVOF-XWSJACJDSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@H]1CC([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483727 883880577 /nfs/dbraw/zinc/88/05/77/883880577.db2.gz IOTPNKLHYQMVOF-XWSJACJDSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@H]1CC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170483727 883880589 /nfs/dbraw/zinc/88/05/89/883880589.db2.gz IOTPNKLHYQMVOF-XWSJACJDSA-N 2 1 379.589 3.827 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556177632 884025372 /nfs/dbraw/zinc/02/53/72/884025372.db2.gz FKRAAWUZWGKPPM-RBZQAINGSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556177632 884025392 /nfs/dbraw/zinc/02/53/92/884025392.db2.gz FKRAAWUZWGKPPM-RBZQAINGSA-N 2 1 391.559 3.645 20 0 GHADMP COCCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000191304396 884172688 /nfs/dbraw/zinc/17/26/88/884172688.db2.gz DZMLJPCZKAMRLT-KRWDZBQOSA-N 2 1 379.508 3.509 20 0 GHADMP C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465459693 884235771 /nfs/dbraw/zinc/23/57/71/884235771.db2.gz PYURVKVZXZXRBJ-NFBKMPQASA-N 2 1 394.563 3.595 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000105113058 884250114 /nfs/dbraw/zinc/25/01/14/884250114.db2.gz FHLKCVGIPVDFBU-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000105113058 884250118 /nfs/dbraw/zinc/25/01/18/884250118.db2.gz FHLKCVGIPVDFBU-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000105113058 884250135 /nfs/dbraw/zinc/25/01/35/884250135.db2.gz FHLKCVGIPVDFBU-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000806163802 884418997 /nfs/dbraw/zinc/41/89/97/884418997.db2.gz JOZAOWGRCXNBBE-WMZHIEFXSA-N 2 1 375.520 3.830 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000130697404 885026977 /nfs/dbraw/zinc/02/69/77/885026977.db2.gz IUUHOKIMRQTBHC-QFIPXVFZSA-N 2 1 386.515 3.700 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000130697404 885026985 /nfs/dbraw/zinc/02/69/85/885026985.db2.gz IUUHOKIMRQTBHC-QFIPXVFZSA-N 2 1 386.515 3.700 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000806931295 885098088 /nfs/dbraw/zinc/09/80/88/885098088.db2.gz LCHSZOHZCRPOBS-SDXIKQIGSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000537537757 885098156 /nfs/dbraw/zinc/09/81/56/885098156.db2.gz ZEOPQZGUPYHEMC-AUSIDOKSSA-N 2 1 383.536 3.501 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000045790617 885318991 /nfs/dbraw/zinc/31/89/91/885318991.db2.gz GVEBBDDJYPTNEV-HXUWFJFHSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000045790617 885319010 /nfs/dbraw/zinc/31/90/10/885319010.db2.gz GVEBBDDJYPTNEV-HXUWFJFHSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000045790617 885319027 /nfs/dbraw/zinc/31/90/27/885319027.db2.gz GVEBBDDJYPTNEV-HXUWFJFHSA-N 2 1 388.600 3.838 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000130959029 885379147 /nfs/dbraw/zinc/37/91/47/885379147.db2.gz KYBPJKSNXDEUBM-JOCHJYFZSA-N 2 1 396.560 3.789 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000130959029 885379168 /nfs/dbraw/zinc/37/91/68/885379168.db2.gz KYBPJKSNXDEUBM-JOCHJYFZSA-N 2 1 396.560 3.789 20 0 GHADMP CCc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1F ZINC001211917129 885565974 /nfs/dbraw/zinc/56/59/74/885565974.db2.gz WNZWEDLHMLDJKW-LJQANCHMSA-N 2 1 392.478 3.627 20 0 GHADMP CCc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1F ZINC001211917129 885565991 /nfs/dbraw/zinc/56/59/91/885565991.db2.gz WNZWEDLHMLDJKW-LJQANCHMSA-N 2 1 392.478 3.627 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000108063426 885572378 /nfs/dbraw/zinc/57/23/78/885572378.db2.gz KWRYFZBZNFVXOH-HXUWFJFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000108063426 885572391 /nfs/dbraw/zinc/57/23/91/885572391.db2.gz KWRYFZBZNFVXOH-HXUWFJFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000108063426 885572404 /nfs/dbraw/zinc/57/24/04/885572404.db2.gz KWRYFZBZNFVXOH-HXUWFJFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000108063426 885572415 /nfs/dbraw/zinc/57/24/15/885572415.db2.gz KWRYFZBZNFVXOH-HXUWFJFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC3CCC4(CC3)OCCO4)cc2)CC1 ZINC000795888080 912954529 /nfs/dbraw/zinc/95/45/29/912954529.db2.gz GOPOOYQAAHGJCR-UHFFFAOYSA-N 2 1 387.568 3.810 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000495433370 885756536 /nfs/dbraw/zinc/75/65/36/885756536.db2.gz NSNPLOOFDKMRDM-WFXMLNOXSA-N 2 1 377.536 3.907 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C[C@H]1c1ccccc1 ZINC000550678916 885848058 /nfs/dbraw/zinc/84/80/58/885848058.db2.gz YQCOZJOUKJINRY-GOTSBHOMSA-N 2 1 385.596 3.694 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)C[C@H]1c1ccccc1 ZINC000550678916 885848062 /nfs/dbraw/zinc/84/80/62/885848062.db2.gz YQCOZJOUKJINRY-GOTSBHOMSA-N 2 1 385.596 3.694 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808154257 886060589 /nfs/dbraw/zinc/06/05/89/886060589.db2.gz QPKBGIXTWMDCCX-UHFFFAOYSA-N 2 1 392.547 3.730 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808154257 886060607 /nfs/dbraw/zinc/06/06/07/886060607.db2.gz QPKBGIXTWMDCCX-UHFFFAOYSA-N 2 1 392.547 3.730 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)CC1 ZINC000808177728 886071145 /nfs/dbraw/zinc/07/11/45/886071145.db2.gz WFFIINVGDFLMAM-OAQYLSRUSA-N 2 1 386.584 3.783 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000643492950 886160066 /nfs/dbraw/zinc/16/00/66/886160066.db2.gz AMNBVMKZKDFPPV-RBZQAINGSA-N 2 1 398.595 3.510 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670180239 886256056 /nfs/dbraw/zinc/25/60/56/886256056.db2.gz ZHZLXTHRCPLYRI-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000155070977 886259717 /nfs/dbraw/zinc/25/97/17/886259717.db2.gz KMPGLNXOYBCPIP-QGZVFWFLSA-N 2 1 377.598 3.580 20 0 GHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000118763299 886259837 /nfs/dbraw/zinc/25/98/37/886259837.db2.gz JHUYLMKIQHNOBV-UHFFFAOYSA-N 2 1 396.539 3.727 20 0 GHADMP Cc1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccnc1F ZINC000862377430 886337352 /nfs/dbraw/zinc/33/73/52/886337352.db2.gz HPXLGPAKANHWNM-NRFANRHFSA-N 2 1 383.511 3.548 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnc(C3CCCC3)s2)c2cccs2)CC1 ZINC000532618560 886513051 /nfs/dbraw/zinc/51/30/51/886513051.db2.gz PWRSJNOHXZLSCL-SFHVURJKSA-N 2 1 390.622 3.941 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000556891242 886516958 /nfs/dbraw/zinc/51/69/58/886516958.db2.gz ADFYHZLVWHIASL-RXVVDRJESA-N 2 1 398.547 3.820 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)c2)n1 ZINC000556892293 886521573 /nfs/dbraw/zinc/52/15/73/886521573.db2.gz JLKOYZIJWVONLF-YQVWRLOYSA-N 2 1 385.533 3.559 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073210824 886617738 /nfs/dbraw/zinc/61/77/38/886617738.db2.gz NHHPKZCDDBDAQK-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000125938158 886916233 /nfs/dbraw/zinc/91/62/33/886916233.db2.gz IENFBSGTEXLRDF-UHFFFAOYSA-N 2 1 390.915 3.681 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000237681279 886978313 /nfs/dbraw/zinc/97/83/13/886978313.db2.gz AYJCTLBBLHRBKK-OFVILXPXSA-N 2 1 377.576 3.804 20 0 GHADMP CC(C)[C@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)n1 ZINC000863655419 887266320 /nfs/dbraw/zinc/26/63/20/887266320.db2.gz CNWJOKPNXIBWKX-ZACQAIPSSA-N 2 1 383.521 3.565 20 0 GHADMP COc1ccc2c(c1)[C@H]([N@@H+](CCc1cncn1C)Cc1ccccc1)CCO2 ZINC000459335959 887459098 /nfs/dbraw/zinc/45/90/98/887459098.db2.gz HCXDVNZVYRSWPX-JOCHJYFZSA-N 2 1 377.488 3.997 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000131601321 887560680 /nfs/dbraw/zinc/56/06/80/887560680.db2.gz CQQXFKZPGWMKBB-DFNIBXOVSA-N 2 1 376.545 3.834 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000131601321 887560689 /nfs/dbraw/zinc/56/06/89/887560689.db2.gz CQQXFKZPGWMKBB-DFNIBXOVSA-N 2 1 376.545 3.834 20 0 GHADMP C[NH+](C)C1(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CCC1 ZINC000763030719 887573673 /nfs/dbraw/zinc/57/36/73/887573673.db2.gz QLDZMUBQFXHZJV-UHFFFAOYSA-N 2 1 397.485 3.613 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000809616269 887588169 /nfs/dbraw/zinc/58/81/69/887588169.db2.gz LTVYRUDUZKIVMU-QFIPXVFZSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132072736 887604779 /nfs/dbraw/zinc/60/47/79/887604779.db2.gz UMOZWXHYZDZYPQ-CVDCTZTESA-N 2 1 379.548 3.873 20 0 GHADMP C[C@@H]1CN(c2ccccc2CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459360740 887672935 /nfs/dbraw/zinc/67/29/35/887672935.db2.gz YSLQKCAMBMIFGC-FYYLOGMGSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000459360740 887672937 /nfs/dbraw/zinc/67/29/37/887672937.db2.gz YSLQKCAMBMIFGC-FYYLOGMGSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459360740 887672950 /nfs/dbraw/zinc/67/29/50/887672950.db2.gz YSLQKCAMBMIFGC-FYYLOGMGSA-N 2 1 393.575 3.866 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000105123987 887694734 /nfs/dbraw/zinc/69/47/34/887694734.db2.gz AGSFHISZEOARAI-PKOBYXMFSA-N 2 1 380.602 3.551 20 0 GHADMP C[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459364449 887716331 /nfs/dbraw/zinc/71/63/31/887716331.db2.gz ASJDFFNHDIFICH-UHFFFAOYSA-N 2 1 389.503 3.593 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000809984509 888041641 /nfs/dbraw/zinc/04/16/41/888041641.db2.gz MOKFLWDWKHRDTO-NRFANRHFSA-N 2 1 395.950 3.633 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001184411189 913210268 /nfs/dbraw/zinc/21/02/68/913210268.db2.gz UOBBCVAPLDKDFO-SIKLNZKXSA-N 2 1 379.589 3.735 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000120636369 888444864 /nfs/dbraw/zinc/44/48/64/888444864.db2.gz BNSUOMPKEMKIEA-WMZHIEFXSA-N 2 1 382.548 3.763 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)cc2)CC1 ZINC000729678343 888449203 /nfs/dbraw/zinc/44/92/03/888449203.db2.gz RUVQMZFCIBXWLU-UHFFFAOYSA-N 2 1 393.575 3.827 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193797844 888525476 /nfs/dbraw/zinc/52/54/76/888525476.db2.gz STADKMLZAFAQJC-IBGZPJMESA-N 2 1 391.515 3.746 20 0 GHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195133791 888650451 /nfs/dbraw/zinc/65/04/51/888650451.db2.gz BVLKSPLSWICMKX-SJLPKXTDSA-N 2 1 386.927 3.564 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000465530365 889253338 /nfs/dbraw/zinc/25/33/38/889253338.db2.gz ZGKFYCZOSCZOKZ-PKOBYXMFSA-N 2 1 380.602 3.504 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000868179528 889337109 /nfs/dbraw/zinc/33/71/09/889337109.db2.gz SPJUHGQGLYQMNY-XPQZIERPSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000123923989 889446532 /nfs/dbraw/zinc/44/65/32/889446532.db2.gz FEVSJGJZPFZWNP-GUDVDZBRSA-N 2 1 387.568 3.576 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000122262451 889558374 /nfs/dbraw/zinc/55/83/74/889558374.db2.gz VAKKTPHNMHLTLN-YTQUADARSA-N 2 1 393.597 3.996 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000122262451 889558376 /nfs/dbraw/zinc/55/83/76/889558376.db2.gz VAKKTPHNMHLTLN-YTQUADARSA-N 2 1 393.597 3.996 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795046886 889698550 /nfs/dbraw/zinc/69/85/50/889698550.db2.gz WVAUNURSFXHJHX-ZLNRFVROSA-N 2 1 399.579 3.888 20 0 GHADMP CCc1nc2cc(CNC[C@@H](O)C[N@H+](C)Cc3ccccc3)ccc2n1C1CC1 ZINC000644641498 913421192 /nfs/dbraw/zinc/42/11/92/913421192.db2.gz XOTOSWRPIUNSKB-OAQYLSRUSA-N 2 1 392.547 3.516 20 0 GHADMP CCc1nc2cc(CNC[C@@H](O)C[N@@H+](C)Cc3ccccc3)ccc2n1C1CC1 ZINC000644641498 913421218 /nfs/dbraw/zinc/42/12/18/913421218.db2.gz XOTOSWRPIUNSKB-OAQYLSRUSA-N 2 1 392.547 3.516 20 0 GHADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533290877 890204225 /nfs/dbraw/zinc/20/42/25/890204225.db2.gz UTPRCXQVOKJJQI-YFVAEKQCSA-N 2 1 387.593 3.827 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000533307097 890260201 /nfs/dbraw/zinc/26/02/01/890260201.db2.gz RSJXKBASHRRUKS-INIZCTEOSA-N 2 1 388.508 3.686 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000533321443 890271834 /nfs/dbraw/zinc/27/18/34/890271834.db2.gz LOJMWCNEBDXGAR-PXNSSMCTSA-N 2 1 394.991 3.610 20 0 GHADMP CN(C)C[C@](C)(O)C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000533563415 890852392 /nfs/dbraw/zinc/85/23/92/890852392.db2.gz XZEFNBYMJARNEQ-LJQANCHMSA-N 2 1 382.426 3.900 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)c2cccs2)CC1 ZINC000533581834 890894698 /nfs/dbraw/zinc/89/46/98/890894698.db2.gz HGILRNVKEQMCAR-ROUUACIJSA-N 2 1 377.504 3.592 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000812721149 890897970 /nfs/dbraw/zinc/89/79/70/890897970.db2.gz KYBLPRLNWVKGGZ-ICSRJNTNSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1ccc(-c2noc([C@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)n2)cc1F ZINC000871785601 891010510 /nfs/dbraw/zinc/01/05/10/891010510.db2.gz JHSMTSBLANTAHV-WWTUQBGBSA-N 2 1 387.459 3.616 20 0 GHADMP Cc1ccc(-c2noc([C@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)n2)cc1F ZINC000871785601 891010525 /nfs/dbraw/zinc/01/05/25/891010525.db2.gz JHSMTSBLANTAHV-WWTUQBGBSA-N 2 1 387.459 3.616 20 0 GHADMP C[N@@H+](CCCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)C1CC1 ZINC000872075467 891141385 /nfs/dbraw/zinc/14/13/85/891141385.db2.gz AVJUOLCBFNEFKX-VQIMIIECSA-N 2 1 381.358 3.991 20 0 GHADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128019710 891371367 /nfs/dbraw/zinc/37/13/67/891371367.db2.gz ZPEACDAKRMTRIC-RXVVDRJESA-N 2 1 395.547 3.600 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1n1ccnc1 ZINC000247358753 891372237 /nfs/dbraw/zinc/37/22/37/891372237.db2.gz HGHRUUNYWKYACJ-NPDDRXJXSA-N 2 1 395.551 3.529 20 0 GHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000813861320 892032102 /nfs/dbraw/zinc/03/21/02/892032102.db2.gz QTXHKCFCHSBCPP-HSQYWUDLSA-N 2 1 376.516 3.526 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274718 892398737 /nfs/dbraw/zinc/39/87/37/892398737.db2.gz VVHUIWBVCBZBPV-WUBOSGNUSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274718 892398755 /nfs/dbraw/zinc/39/87/55/892398755.db2.gz VVHUIWBVCBZBPV-WUBOSGNUSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274718 892398773 /nfs/dbraw/zinc/39/87/73/892398773.db2.gz VVHUIWBVCBZBPV-WUBOSGNUSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274718 892398790 /nfs/dbraw/zinc/39/87/90/892398790.db2.gz VVHUIWBVCBZBPV-WUBOSGNUSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274718 892398809 /nfs/dbraw/zinc/39/88/09/892398809.db2.gz VVHUIWBVCBZBPV-WUBOSGNUSA-N 2 1 391.559 3.790 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccsc1 ZINC000465547048 892465654 /nfs/dbraw/zinc/46/56/54/892465654.db2.gz SXPPYUPAFQAQLV-UXHICEINSA-N 2 1 392.613 3.695 20 0 GHADMP CC(C)[C@H](C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000497832155 892547468 /nfs/dbraw/zinc/54/74/68/892547468.db2.gz NXUWJTOZSRFLRL-URXFXBBRSA-N 2 1 392.547 3.779 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717100 892834992 /nfs/dbraw/zinc/83/49/92/892834992.db2.gz ZOCJZFJFLJUNPQ-OFNKIYASSA-N 3 1 378.564 3.798 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000508717100 892835013 /nfs/dbraw/zinc/83/50/13/892835013.db2.gz ZOCJZFJFLJUNPQ-OFNKIYASSA-N 2 1 378.564 3.798 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508718557 892848199 /nfs/dbraw/zinc/84/81/99/892848199.db2.gz NYUJGAVUUIWLGS-AVRDEDQJSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+]1CCCCC1 ZINC000918123026 893202388 /nfs/dbraw/zinc/20/23/88/893202388.db2.gz XPDWGQATXKUHGZ-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CSc1cc(Br)ccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000536674168 893510050 /nfs/dbraw/zinc/51/00/50/893510050.db2.gz JRSCKUPXPLTAPE-UHFFFAOYSA-N 2 1 387.387 3.714 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1Cl ZINC000536713065 893588392 /nfs/dbraw/zinc/58/83/92/893588392.db2.gz FBMMRUCLIPMIJC-UHFFFAOYSA-N 2 1 386.927 3.912 20 0 GHADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000536714343 893590172 /nfs/dbraw/zinc/59/01/72/893590172.db2.gz XDXVGIMYGFFCOJ-DXIQSLLYSA-N 2 1 386.584 3.561 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686222334 893851829 /nfs/dbraw/zinc/85/18/29/893851829.db2.gz ZUAOHOXNFBQRSG-UYAOXDASSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000536829074 893861811 /nfs/dbraw/zinc/86/18/11/893861811.db2.gz VPZYWEWBUDDXJC-LIRRHRJNSA-N 2 1 377.326 3.911 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000563621852 893983405 /nfs/dbraw/zinc/98/34/05/893983405.db2.gz BYNBFVQITQFVSU-WFXMLNOXSA-N 2 1 384.570 3.688 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000563621852 893983410 /nfs/dbraw/zinc/98/34/10/893983410.db2.gz BYNBFVQITQFVSU-WFXMLNOXSA-N 2 1 384.570 3.688 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000563636108 893998654 /nfs/dbraw/zinc/99/86/54/893998654.db2.gz KSVHBQKQEYVQGX-SIKLNZKXSA-N 2 1 399.966 3.624 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000563636108 893998667 /nfs/dbraw/zinc/99/86/67/893998667.db2.gz KSVHBQKQEYVQGX-SIKLNZKXSA-N 2 1 399.966 3.624 20 0 GHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000815578374 894015499 /nfs/dbraw/zinc/01/54/99/894015499.db2.gz NCAKFSQXAVWJSS-YLJYHZDGSA-N 2 1 383.511 3.682 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000459729266 894119002 /nfs/dbraw/zinc/11/90/02/894119002.db2.gz IUVGNTIDOIOBJH-AWEZNQCLSA-N 2 1 377.330 3.661 20 0 GHADMP CC(=O)N(c1nc(CNCC[C@H]2CCC[N@H+](C)C2)cs1)c1ccc(C)cc1 ZINC000459745849 894170706 /nfs/dbraw/zinc/17/07/06/894170706.db2.gz YNWHADQUVSUFFB-GOSISDBHSA-N 2 1 386.565 3.958 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cs1)c1ccc(C)cc1 ZINC000459745849 894170721 /nfs/dbraw/zinc/17/07/21/894170721.db2.gz YNWHADQUVSUFFB-GOSISDBHSA-N 2 1 386.565 3.958 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cs1)c1ccc(C)cc1 ZINC000459745849 894170727 /nfs/dbraw/zinc/17/07/27/894170727.db2.gz YNWHADQUVSUFFB-GOSISDBHSA-N 2 1 386.565 3.958 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999105 894206467 /nfs/dbraw/zinc/20/64/67/894206467.db2.gz YEYCZHHMSBIRNW-GMAHTHKFSA-N 2 1 395.522 3.764 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000537096282 894307395 /nfs/dbraw/zinc/30/73/95/894307395.db2.gz OKLZNCVOSDEWPQ-JCUDRXCFSA-N 3 1 387.612 3.516 20 0 GHADMP CCN1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)[C@H](C)C1 ZINC000537096282 894307411 /nfs/dbraw/zinc/30/74/11/894307411.db2.gz OKLZNCVOSDEWPQ-JCUDRXCFSA-N 2 1 387.612 3.516 20 0 GHADMP COc1cccc(C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C2CC2)c1 ZINC000563972676 894387336 /nfs/dbraw/zinc/38/73/36/894387336.db2.gz QNZLMFMSGXXHCT-NOZRDPDXSA-N 2 1 394.559 3.763 20 0 GHADMP Clc1cc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247358 894653303 /nfs/dbraw/zinc/65/33/03/894653303.db2.gz CHVXIKURINZAOP-FXAWDEMLSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247358 894653308 /nfs/dbraw/zinc/65/33/08/894653308.db2.gz CHVXIKURINZAOP-FXAWDEMLSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247358 894653320 /nfs/dbraw/zinc/65/33/20/894653320.db2.gz CHVXIKURINZAOP-FXAWDEMLSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247358 894653328 /nfs/dbraw/zinc/65/33/28/894653328.db2.gz CHVXIKURINZAOP-FXAWDEMLSA-N 2 1 390.955 3.993 20 0 GHADMP c1cnc([C@H]2CCC[NH+]2CCCCCC[N@H+]2CCC[C@@H]2c2ncccn2)nc1 ZINC000878976760 894760854 /nfs/dbraw/zinc/76/08/54/894760854.db2.gz WBOMHRAQTDMVFA-WOJBJXKFSA-N 2 1 380.540 3.801 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000537325750 894777464 /nfs/dbraw/zinc/77/74/64/894777464.db2.gz OMJMMNYEAKEIRA-WMZHIEFXSA-N 2 1 393.579 3.544 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1C ZINC000564298020 894835124 /nfs/dbraw/zinc/83/51/24/894835124.db2.gz BQJXDXBOHRDWJZ-HDICACEKSA-N 2 1 383.536 3.579 20 0 GHADMP [NH3+]Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000826098208 894911678 /nfs/dbraw/zinc/91/16/78/894911678.db2.gz XDQBPOLCNRQCMI-UHFFFAOYSA-N 2 1 391.437 3.512 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816546259 894914884 /nfs/dbraw/zinc/91/48/84/894914884.db2.gz DLSYCPRVQVTDPK-FXAWDEMLSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cccn3C3CC[NH2+]CC3)cc2)C1 ZINC000645502210 913941661 /nfs/dbraw/zinc/94/16/61/913941661.db2.gz AVSLEXXZMPRHIY-SFHVURJKSA-N 2 1 380.536 3.897 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000564728478 895213168 /nfs/dbraw/zinc/21/31/68/895213168.db2.gz ANSHJQTZFAILBW-KNQAVFIVSA-N 2 1 393.531 3.559 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000564838597 895275451 /nfs/dbraw/zinc/27/54/51/895275451.db2.gz PWMVYIZUEXSEQL-UNWVZKJWSA-N 2 1 379.548 3.884 20 0 GHADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000564952643 895321570 /nfs/dbraw/zinc/32/15/70/895321570.db2.gz JDKDNHIKFMZNDR-CTNGQTDRSA-N 2 1 398.595 3.730 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000565353980 895559371 /nfs/dbraw/zinc/55/93/71/895559371.db2.gz MNRIXIAYTNJARH-CNNODRBYSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1-n1ccnn1 ZINC000565353980 895559386 /nfs/dbraw/zinc/55/93/86/895559386.db2.gz MNRIXIAYTNJARH-CNNODRBYSA-N 2 1 375.520 3.829 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000565491712 895672877 /nfs/dbraw/zinc/67/28/77/895672877.db2.gz MRUUFRZHUTVWNU-SFTDATJTSA-N 2 1 377.617 3.856 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000565626654 895768946 /nfs/dbraw/zinc/76/89/46/895768946.db2.gz PFZAEASJXGGWCB-ZUEZHPSSSA-N 2 1 386.486 3.957 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000565867445 895943842 /nfs/dbraw/zinc/94/38/42/895943842.db2.gz OMKIKFIIVLMNFZ-UCBGAZFYSA-N 2 1 394.559 3.828 20 0 GHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1 ZINC000817983430 895992689 /nfs/dbraw/zinc/99/26/89/895992689.db2.gz CVDKQYRPRKOAPR-FQEVSTJZSA-N 2 1 389.547 3.516 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566009091 896045228 /nfs/dbraw/zinc/04/52/28/896045228.db2.gz AUCVPQSDZCWQGA-JOCHJYFZSA-N 2 1 377.532 3.512 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566009091 896045235 /nfs/dbraw/zinc/04/52/35/896045235.db2.gz AUCVPQSDZCWQGA-JOCHJYFZSA-N 2 1 377.532 3.512 20 0 GHADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(-c2ccccc2F)s1 ZINC000566103567 896111113 /nfs/dbraw/zinc/11/11/13/896111113.db2.gz AHTQAXUNBPMYJH-CYBMUJFWSA-N 2 1 385.512 3.990 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000566105889 896112095 /nfs/dbraw/zinc/11/20/95/896112095.db2.gz AGJUXYYKPNDZPP-JKSUJKDBSA-N 2 1 389.367 3.977 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000566242805 896195154 /nfs/dbraw/zinc/19/51/54/896195154.db2.gz KCSYKQJYXTUPGQ-LJQANCHMSA-N 2 1 379.504 3.739 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818985141 896304602 /nfs/dbraw/zinc/30/46/02/896304602.db2.gz PDHDZTJTYONMQZ-KBXCAEBGSA-N 2 1 387.337 3.506 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@@H]3C)CC2)CC1 ZINC000566441721 896315532 /nfs/dbraw/zinc/31/55/32/896315532.db2.gz JQXFAKORPIWNTO-WMZHIEFXSA-N 2 1 383.580 3.587 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4nc(C)co4)c3)CC2)CC1 ZINC000566441747 896316401 /nfs/dbraw/zinc/31/64/01/896316401.db2.gz KIHNCURINVWFOU-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1)CC1CC1 ZINC000566451621 896320152 /nfs/dbraw/zinc/32/01/52/896320152.db2.gz UJVFMNJCCFNDRN-XMMPIXPASA-N 2 1 397.607 3.869 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)CC1CC1 ZINC000566451621 896320161 /nfs/dbraw/zinc/32/01/61/896320161.db2.gz UJVFMNJCCFNDRN-XMMPIXPASA-N 2 1 397.607 3.869 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)CC1CC1 ZINC000566451621 896320171 /nfs/dbraw/zinc/32/01/71/896320171.db2.gz UJVFMNJCCFNDRN-XMMPIXPASA-N 2 1 397.607 3.869 20 0 GHADMP C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000819220044 896511952 /nfs/dbraw/zinc/51/19/52/896511952.db2.gz JTKKUTWZMDSDFX-SJCJKPOMSA-N 2 1 387.749 3.550 20 0 GHADMP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333095 896576959 /nfs/dbraw/zinc/57/69/59/896576959.db2.gz GDNUAECTCZBPQW-VWNXMTODSA-N 2 1 394.559 3.547 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000819443980 896676537 /nfs/dbraw/zinc/67/65/37/896676537.db2.gz CVKFCGAUWLSMNO-OAQYLSRUSA-N 2 1 389.490 3.888 20 0 GHADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001136226193 896776911 /nfs/dbraw/zinc/77/69/11/896776911.db2.gz UMQLUEDULRQCTP-NJDAHSKKSA-N 2 1 385.596 3.566 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000567048457 896830153 /nfs/dbraw/zinc/83/01/53/896830153.db2.gz DBCFNRJUNQTRER-JKSUJKDBSA-N 2 1 389.341 3.661 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc(OC)c1 ZINC000567109875 896881401 /nfs/dbraw/zinc/88/14/01/896881401.db2.gz FBZKRSSVHJUBAL-FQEVSTJZSA-N 2 1 395.547 3.903 20 0 GHADMP COc1cc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc(OC)c1 ZINC000567109875 896881417 /nfs/dbraw/zinc/88/14/17/896881417.db2.gz FBZKRSSVHJUBAL-FQEVSTJZSA-N 2 1 395.547 3.903 20 0 GHADMP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CSCC2 ZINC000882994408 897185090 /nfs/dbraw/zinc/18/50/90/897185090.db2.gz FFXRMVPDIIESBK-UHFFFAOYSA-N 2 1 384.593 3.875 20 0 GHADMP C[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000568200832 897669301 /nfs/dbraw/zinc/66/93/01/897669301.db2.gz ARTKOTIWFVGOKU-FQEVSTJZSA-N 2 1 379.548 3.527 20 0 GHADMP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000568856429 898168146 /nfs/dbraw/zinc/16/81/46/898168146.db2.gz AHAVHGZUUYIJLW-FGZHOGPDSA-N 2 1 384.568 3.576 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC000569236772 898455061 /nfs/dbraw/zinc/45/50/61/898455061.db2.gz CBRCPMKSQGWIIC-LPIJFZEYSA-N 2 1 383.580 3.953 20 0 GHADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCc1c(Cl)cccc1Cl ZINC001276331565 914268061 /nfs/dbraw/zinc/26/80/61/914268061.db2.gz LGAXYJSJKPHVRL-HXUWFJFHSA-N 2 1 398.378 3.555 20 0 GHADMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCc1c(Cl)cccc1Cl ZINC001276331565 914268078 /nfs/dbraw/zinc/26/80/78/914268078.db2.gz LGAXYJSJKPHVRL-HXUWFJFHSA-N 2 1 398.378 3.555 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823961376 899315204 /nfs/dbraw/zinc/31/52/04/899315204.db2.gz RCSXNYGUPZOAPV-HBDUWURDSA-N 2 1 399.579 3.744 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000570590088 899413564 /nfs/dbraw/zinc/41/35/64/899413564.db2.gz KBAPABZXYQUKOO-RJGXRXQPSA-N 2 1 383.580 3.573 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000646249289 914354233 /nfs/dbraw/zinc/35/42/33/914354233.db2.gz ZPNQDVXPNUDTAZ-VXNXHJTFSA-N 2 1 391.559 3.980 20 0 GHADMP C[C@@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC[NH2+]CC1 ZINC000570716120 899527162 /nfs/dbraw/zinc/52/71/62/899527162.db2.gz ZUWDNDMQOAVCSX-FQEVSTJZSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119716854 899671166 /nfs/dbraw/zinc/67/11/66/899671166.db2.gz OEYAEZVXYQOAHO-ZDUSSCGKSA-N 2 1 385.430 3.519 20 0 GHADMP Clc1ccc(CN2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001136927009 899781712 /nfs/dbraw/zinc/78/17/12/899781712.db2.gz RKCMXEZHWXTFJM-UHFFFAOYSA-N 2 1 377.941 3.664 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CCc3cc(Cl)cc(Cl)c3C1)CC2 ZINC001171078414 900047338 /nfs/dbraw/zinc/04/73/38/900047338.db2.gz JNOLIBNGVQIMSY-OAHLLOKOSA-N 2 1 382.335 3.981 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000134783206 900118626 /nfs/dbraw/zinc/11/86/26/900118626.db2.gz HCSGZBWUTFRXIO-IRXDYDNUSA-N 2 1 390.572 3.797 20 0 GHADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)c1 ZINC000825503739 900202634 /nfs/dbraw/zinc/20/26/34/900202634.db2.gz GDSYFXVJDNHWLU-HSZRJFAPSA-N 2 1 399.579 3.573 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)C[C@@H]21 ZINC001137045621 900204818 /nfs/dbraw/zinc/20/48/18/900204818.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045621 900204826 /nfs/dbraw/zinc/20/48/26/900204826.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)C[C@@H]21 ZINC001137045621 900204834 /nfs/dbraw/zinc/20/48/34/900204834.db2.gz PKKCGIABJZDEMT-GREBRCKQSA-N 2 1 375.520 3.690 20 0 GHADMP C[C@@H]([NH2+]Cc1cc(Br)ccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000573437034 900513068 /nfs/dbraw/zinc/51/30/68/900513068.db2.gz NBUYIGRXPLMVON-GHMZBOCLSA-N 2 1 376.136 3.689 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844632 900660607 /nfs/dbraw/zinc/66/06/07/900660607.db2.gz APGNDPHRAQDKFY-NHYWBVRUSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844632 900660612 /nfs/dbraw/zinc/66/06/12/900660612.db2.gz APGNDPHRAQDKFY-NHYWBVRUSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844632 900660621 /nfs/dbraw/zinc/66/06/21/900660621.db2.gz APGNDPHRAQDKFY-NHYWBVRUSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844632 900660627 /nfs/dbraw/zinc/66/06/27/900660627.db2.gz APGNDPHRAQDKFY-NHYWBVRUSA-N 2 1 390.163 3.984 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119519 900741792 /nfs/dbraw/zinc/74/17/92/900741792.db2.gz DJOSEAUSQNOTSH-MDNUFGMLSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119519 900741795 /nfs/dbraw/zinc/74/17/95/900741795.db2.gz DJOSEAUSQNOTSH-MDNUFGMLSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171119519 900741801 /nfs/dbraw/zinc/74/18/01/900741801.db2.gz DJOSEAUSQNOTSH-MDNUFGMLSA-N 2 1 388.983 3.878 20 0 GHADMP CCOc1c(F)cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1F ZINC001144022539 900941007 /nfs/dbraw/zinc/94/10/07/900941007.db2.gz NMKFRQCZFSVZQG-UHFFFAOYSA-N 2 1 382.495 3.688 20 0 GHADMP CCN1CCC([N@H+](C)Cc2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001144064851 901009980 /nfs/dbraw/zinc/00/99/80/901009980.db2.gz VMTBHILSHOTRKN-UHFFFAOYSA-N 2 1 375.538 3.743 20 0 GHADMP CCN1CCC([N@@H+](C)Cc2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC001144064851 901009986 /nfs/dbraw/zinc/00/99/86/901009986.db2.gz VMTBHILSHOTRKN-UHFFFAOYSA-N 2 1 375.538 3.743 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)CC1 ZINC000574925666 901055638 /nfs/dbraw/zinc/05/56/38/901055638.db2.gz IPBSJTZVRQMIIW-UHFFFAOYSA-N 2 1 397.485 3.926 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C[C@@H](C)O1 ZINC000575164076 901146255 /nfs/dbraw/zinc/14/62/55/901146255.db2.gz UTLYVGPZDHUHLJ-IAGOWNOFSA-N 2 1 390.499 3.662 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886580405 901177015 /nfs/dbraw/zinc/17/70/15/901177015.db2.gz HZUGHKQOGMBHME-FKBYEOEOSA-N 2 1 398.572 3.623 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5cc[nH]c5n4)CC3)C2)cc1 ZINC001144176674 901195855 /nfs/dbraw/zinc/19/58/55/901195855.db2.gz AQMLLHDGRKWUNB-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Cl)cc3COC)CC2)CC1 ZINC000575329374 901196614 /nfs/dbraw/zinc/19/66/14/901196614.db2.gz HJBGQPMLKRHPKW-UHFFFAOYSA-N 2 1 393.959 3.621 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144176822 901197485 /nfs/dbraw/zinc/19/74/85/901197485.db2.gz MFDDDZAQXICLNL-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000886716114 901246357 /nfs/dbraw/zinc/24/63/57/901246357.db2.gz OIMKFAGTLXGPKR-UHFFFAOYSA-N 2 1 383.458 3.984 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cnccc1Cl)CC2 ZINC001137233436 901377491 /nfs/dbraw/zinc/37/74/91/901377491.db2.gz DSJBPOWXMMGTNQ-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000575883001 901425356 /nfs/dbraw/zinc/42/53/56/901425356.db2.gz FSQRALIEKFJFTC-QJUOVVKFSA-N 2 1 395.591 3.810 20 0 GHADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CCC2 ZINC000576206559 901812616 /nfs/dbraw/zinc/81/26/16/901812616.db2.gz QIVQZHMHWZBZMZ-DOTOQJQBSA-N 2 1 390.622 3.723 20 0 GHADMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(C4CC[NH2+]CC4)cc4nc[nH]c43)c2c1 ZINC001171165008 901848361 /nfs/dbraw/zinc/84/83/61/901848361.db2.gz MHBQYMYHZSTTDR-HNNXBMFYSA-N 2 1 388.519 3.567 20 0 GHADMP Clc1cc2c(cc1Cl)C[C@@H]([NH+]1CCN(CC[NH+]3CCCC3)CC1)CC2 ZINC001171171889 901951453 /nfs/dbraw/zinc/95/14/53/901951453.db2.gz JQDLZQLOGGTRQQ-SFHVURJKSA-N 2 1 382.379 3.564 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)c1 ZINC000123903407 901995713 /nfs/dbraw/zinc/99/57/13/901995713.db2.gz AEXQWGOLGKWKLL-QGZVFWFLSA-N 2 1 399.535 3.662 20 0 GHADMP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)c2)CC1 ZINC000333365333 902037576 /nfs/dbraw/zinc/03/75/76/902037576.db2.gz YBNWTBLUZOFKEJ-OAQYLSRUSA-N 2 1 398.551 3.779 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(F)c1 ZINC001144450982 902211045 /nfs/dbraw/zinc/21/10/45/902211045.db2.gz KMMADQVJMAENBR-SFTDATJTSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1 ZINC001144450982 902211053 /nfs/dbraw/zinc/21/10/53/902211053.db2.gz KMMADQVJMAENBR-SFTDATJTSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1 ZINC001144450982 902211058 /nfs/dbraw/zinc/21/10/58/902211058.db2.gz KMMADQVJMAENBR-SFTDATJTSA-N 2 1 396.506 3.956 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000576874224 902324528 /nfs/dbraw/zinc/32/45/28/902324528.db2.gz KHXBDSJZPSKTHM-QGZVFWFLSA-N 2 1 389.341 3.803 20 0 GHADMP C[NH2+]CC1CC[NH+](CC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)CC1 ZINC000576943290 902377672 /nfs/dbraw/zinc/37/76/72/902377672.db2.gz ADZAWXMKFXPHDV-UHFFFAOYSA-N 2 1 385.527 3.601 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576944624 902378438 /nfs/dbraw/zinc/37/84/38/902378438.db2.gz BMMMUVFDXRYQNJ-LRLHPVAZSA-N 2 1 393.934 3.509 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778974681 902392089 /nfs/dbraw/zinc/39/20/89/902392089.db2.gz GFSPLXXXHYNHKM-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCCC[NH+]3CCCC3)C2)s1 ZINC000846101690 902714832 /nfs/dbraw/zinc/71/48/32/902714832.db2.gz LECPUIRAWNSNCV-LJQANCHMSA-N 2 1 377.598 3.603 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378450 902724480 /nfs/dbraw/zinc/72/44/80/902724480.db2.gz WDYPUCMCKSEQNL-IBGZPJMESA-N 2 1 397.588 3.790 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378450 902724486 /nfs/dbraw/zinc/72/44/86/902724486.db2.gz WDYPUCMCKSEQNL-IBGZPJMESA-N 2 1 397.588 3.790 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378450 902724497 /nfs/dbraw/zinc/72/44/97/902724497.db2.gz WDYPUCMCKSEQNL-IBGZPJMESA-N 2 1 397.588 3.790 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290382377 914655717 /nfs/dbraw/zinc/65/57/17/914655717.db2.gz BEFGYOKONWDGRR-GOSISDBHSA-N 2 1 387.549 3.580 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290382377 914655721 /nfs/dbraw/zinc/65/57/21/914655721.db2.gz BEFGYOKONWDGRR-GOSISDBHSA-N 2 1 387.549 3.580 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000646566382 914673214 /nfs/dbraw/zinc/67/32/14/914673214.db2.gz MSCPQWNTZBESKI-INIZCTEOSA-N 2 1 377.960 3.714 20 0 GHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000290438905 914682025 /nfs/dbraw/zinc/68/20/25/914682025.db2.gz VMONRIOJCINHQJ-WIYYLYMNSA-N 2 1 384.495 3.568 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000600997150 903206406 /nfs/dbraw/zinc/20/64/06/903206406.db2.gz UWNLKYDSDITYJQ-NHCUHLMSSA-N 2 1 383.580 3.548 20 0 GHADMP COc1cccc([C@@H](O)C[N@H+](CCCc2c[nH+]cn2C)Cc2ccccc2)c1 ZINC000846819238 903238810 /nfs/dbraw/zinc/23/88/10/903238810.db2.gz XWJGTOJLCMUCFA-QHCPKHFHSA-N 2 1 379.504 3.597 20 0 GHADMP COc1cccc([C@@H](O)C[N@@H+](CCCc2c[nH+]cn2C)Cc2ccccc2)c1 ZINC000846819238 903238821 /nfs/dbraw/zinc/23/88/21/903238821.db2.gz XWJGTOJLCMUCFA-QHCPKHFHSA-N 2 1 379.504 3.597 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4ncc(C)o4)c3)CC2)CC1 ZINC000577862702 903282748 /nfs/dbraw/zinc/28/27/48/903282748.db2.gz GNPHYNYDTLTZPS-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cc[nH+]c4ccccc34)C3(C2)CCOCC3)cc1 ZINC000578200362 903608779 /nfs/dbraw/zinc/60/87/79/903608779.db2.gz QSNHGYCRQYUHMQ-NRFANRHFSA-N 2 1 387.527 3.997 20 0 GHADMP COCCOc1ccc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000578216842 903621195 /nfs/dbraw/zinc/62/11/95/903621195.db2.gz PLLMSMGMOMSVQX-UHFFFAOYSA-N 2 1 377.573 3.876 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147592 903702626 /nfs/dbraw/zinc/70/26/26/903702626.db2.gz RSMCLOWTJLNKNU-LEWJYISDSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147592 903702628 /nfs/dbraw/zinc/70/26/28/903702628.db2.gz RSMCLOWTJLNKNU-LEWJYISDSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147592 903702636 /nfs/dbraw/zinc/70/26/36/903702636.db2.gz RSMCLOWTJLNKNU-LEWJYISDSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(CSC)cc3)CC2)CC1 ZINC000578546443 903951130 /nfs/dbraw/zinc/95/11/30/903951130.db2.gz FJQARTBLRGNXMH-UHFFFAOYSA-N 2 1 375.582 3.684 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CCC2)o1 ZINC000578580013 903980652 /nfs/dbraw/zinc/98/06/52/903980652.db2.gz PVJAFWUDCPJXAB-JTHBVZDNSA-N 2 1 395.547 3.916 20 0 GHADMP C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001148164851 904001129 /nfs/dbraw/zinc/00/11/29/904001129.db2.gz HMTBHQGLPRZRHV-REWPJTCUSA-N 2 1 385.596 3.662 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CC1 ZINC000151368159 904117064 /nfs/dbraw/zinc/11/70/64/904117064.db2.gz NMPUITJEEOZGJZ-GOSISDBHSA-N 2 1 389.540 3.763 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000578787041 904121816 /nfs/dbraw/zinc/12/18/16/904121816.db2.gz AEGQBNZZSUXETM-INIZCTEOSA-N 2 1 381.314 3.522 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1Cl ZINC000578819014 904147755 /nfs/dbraw/zinc/14/77/55/904147755.db2.gz IOCZSAKKCBTDQL-SFHVURJKSA-N 2 1 386.927 3.647 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1Cl ZINC000578819014 904147768 /nfs/dbraw/zinc/14/77/68/904147768.db2.gz IOCZSAKKCBTDQL-SFHVURJKSA-N 2 1 386.927 3.647 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001148740421 904180099 /nfs/dbraw/zinc/18/00/99/904180099.db2.gz IVHILNVZGXAHFT-XZOQPEGZSA-N 2 1 385.596 3.773 20 0 GHADMP CCC[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001148740421 904180102 /nfs/dbraw/zinc/18/01/02/904180102.db2.gz IVHILNVZGXAHFT-XZOQPEGZSA-N 2 1 385.596 3.773 20 0 GHADMP CCC[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001148740421 904180110 /nfs/dbraw/zinc/18/01/10/904180110.db2.gz IVHILNVZGXAHFT-XZOQPEGZSA-N 2 1 385.596 3.773 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000773011909 904370969 /nfs/dbraw/zinc/37/09/69/904370969.db2.gz YVBZSBDVOUFAKL-NRFANRHFSA-N 2 1 376.903 3.809 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000579248975 904454513 /nfs/dbraw/zinc/45/45/13/904454513.db2.gz XMTKCMABHZBINW-AUSIDOKSSA-N 2 1 383.580 3.792 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638524 904695209 /nfs/dbraw/zinc/69/52/09/904695209.db2.gz PJOYUXRPKFTVOX-CUUWFGFTSA-N 2 1 399.579 3.932 20 0 GHADMP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655881 904778537 /nfs/dbraw/zinc/77/85/37/904778537.db2.gz NAVSTBDCEVAUEJ-GOTSBHOMSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655881 904778546 /nfs/dbraw/zinc/77/85/46/904778546.db2.gz NAVSTBDCEVAUEJ-GOTSBHOMSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655881 904778551 /nfs/dbraw/zinc/77/85/51/904778551.db2.gz NAVSTBDCEVAUEJ-GOTSBHOMSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655881 904778563 /nfs/dbraw/zinc/77/85/63/904778563.db2.gz NAVSTBDCEVAUEJ-GOTSBHOMSA-N 2 1 378.564 3.880 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)C2 ZINC001171616161 904881568 /nfs/dbraw/zinc/88/15/68/904881568.db2.gz ZAQUNXMXCUWEOF-OZQHCQBDSA-N 2 1 379.589 3.684 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000646805497 914858925 /nfs/dbraw/zinc/85/89/25/914858925.db2.gz JOWPRHDSLCNTQX-OALUTQOASA-N 2 1 395.547 3.890 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2Cc3cccc(F)c3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001171788940 905047652 /nfs/dbraw/zinc/04/76/52/905047652.db2.gz ZWIAPXPASXPLDU-ACRUOGEOSA-N 2 1 396.506 3.852 20 0 GHADMP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccccc1)CCO3)C2 ZINC001171801820 905063665 /nfs/dbraw/zinc/06/36/65/905063665.db2.gz RLPZBMDXIUQKLL-NRFANRHFSA-N 2 1 380.507 3.660 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000290927635 914875668 /nfs/dbraw/zinc/87/56/68/914875668.db2.gz OOHKHDPVBIHSPQ-FXAWDEMLSA-N 2 1 388.943 3.607 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000290927635 914875693 /nfs/dbraw/zinc/87/56/93/914875693.db2.gz OOHKHDPVBIHSPQ-FXAWDEMLSA-N 2 1 388.943 3.607 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCCN(C(=O)c3ccccc3)CC2)[nH+]1 ZINC001171907023 905137054 /nfs/dbraw/zinc/13/70/54/905137054.db2.gz OIZPVIAKDVQENQ-OAQYLSRUSA-N 2 1 392.547 3.643 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001171952751 905158289 /nfs/dbraw/zinc/15/82/89/905158289.db2.gz WNXODJGXZOIEPO-WBTXTPOCSA-N 2 1 380.573 3.510 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001171976838 905223895 /nfs/dbraw/zinc/22/38/95/905223895.db2.gz UPCSETSCYKPZDG-ISKFKSNPSA-N 2 1 393.575 3.925 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171979157 905229207 /nfs/dbraw/zinc/22/92/07/905229207.db2.gz CQDIDSOHWONQOZ-FQEVSTJZSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)NCC1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171979157 905229222 /nfs/dbraw/zinc/22/92/22/905229222.db2.gz CQDIDSOHWONQOZ-FQEVSTJZSA-N 2 1 387.568 3.886 20 0 GHADMP CC1(C)C[C@H](N2CC[NH+](CCc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980739 905231426 /nfs/dbraw/zinc/23/14/26/905231426.db2.gz GNIFHPQEYSIZOP-XMMPIXPASA-N 2 1 392.591 3.685 20 0 GHADMP O=C1CCC[C@]2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)N1 ZINC001172074206 905282534 /nfs/dbraw/zinc/28/25/34/905282534.db2.gz RIUXVKZSDNYBNN-HOUBMWHVSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCC[C@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)N1 ZINC001172074206 905282552 /nfs/dbraw/zinc/28/25/52/905282552.db2.gz RIUXVKZSDNYBNN-HOUBMWHVSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCC[C@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)N1 ZINC001172074206 905282566 /nfs/dbraw/zinc/28/25/66/905282566.db2.gz RIUXVKZSDNYBNN-HOUBMWHVSA-N 2 1 381.564 3.707 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172075620 905284634 /nfs/dbraw/zinc/28/46/34/905284634.db2.gz CMULHXBSBZOOIW-MZADTFQBSA-N 2 1 379.504 3.544 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172075620 905284646 /nfs/dbraw/zinc/28/46/46/905284646.db2.gz CMULHXBSBZOOIW-MZADTFQBSA-N 2 1 379.504 3.544 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172077033 905287305 /nfs/dbraw/zinc/28/73/05/905287305.db2.gz OLTPKMFLXDJLLW-WBDAEOGXSA-N 2 1 395.547 3.782 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172077033 905287323 /nfs/dbraw/zinc/28/73/23/905287323.db2.gz OLTPKMFLXDJLLW-WBDAEOGXSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098134 905318804 /nfs/dbraw/zinc/31/88/04/905318804.db2.gz AHFKZCKPNDXNCB-UJMXGEILSA-N 2 1 379.589 3.875 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@]1(F)CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100122 905321745 /nfs/dbraw/zinc/32/17/45/905321745.db2.gz PHJMIEYWCMHNKU-BMQTXXJKSA-N 2 1 383.552 3.721 20 0 GHADMP O=C(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccc(F)cc1 ZINC001172064753 905328853 /nfs/dbraw/zinc/32/88/53/905328853.db2.gz FPVJIXMKPFZJPJ-WBDAEOGXSA-N 2 1 395.522 3.617 20 0 GHADMP O=C(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccc(F)cc1 ZINC001172064753 905328870 /nfs/dbraw/zinc/32/88/70/905328870.db2.gz FPVJIXMKPFZJPJ-WBDAEOGXSA-N 2 1 395.522 3.617 20 0 GHADMP Nc1ccc([C@H](CCO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172068109 905334468 /nfs/dbraw/zinc/33/44/68/905334468.db2.gz SVDMKQWLNKECBW-XQUALCHDSA-N 2 1 379.548 3.868 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CCN(Cc4ccncc4)C2)C3)cc1 ZINC001172067721 905335724 /nfs/dbraw/zinc/33/57/24/905335724.db2.gz RWOCAOZZVVBRKI-OJJQZRKESA-N 2 1 390.575 3.831 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(N3C(=O)OC[C@H]3c3ccccc3)CC1)C2 ZINC001172115356 905366148 /nfs/dbraw/zinc/36/61/48/905366148.db2.gz WOCIJBWINSMARD-CBPXPLCBSA-N 2 1 383.536 3.660 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(N3C(=O)OC[C@H]3c3ccccc3)CC1)C2 ZINC001172115356 905366165 /nfs/dbraw/zinc/36/61/65/905366165.db2.gz WOCIJBWINSMARD-CBPXPLCBSA-N 2 1 383.536 3.660 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)c4cccs4)C3)CC1)C2 ZINC001172116195 905369627 /nfs/dbraw/zinc/36/96/27/905369627.db2.gz KGLDTTHRTVMKNJ-BWTSREIZSA-N 2 1 387.593 3.692 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116870 905369954 /nfs/dbraw/zinc/36/99/54/905369954.db2.gz HCVWZEYUNWWQKM-FCIYXJNOSA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116870 905369975 /nfs/dbraw/zinc/36/99/75/905369975.db2.gz HCVWZEYUNWWQKM-FCIYXJNOSA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116870 905370020 /nfs/dbraw/zinc/37/00/20/905370020.db2.gz HCVWZEYUNWWQKM-FCIYXJNOSA-N 2 1 387.593 3.692 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172119811 905377854 /nfs/dbraw/zinc/37/78/54/905377854.db2.gz AUVOQPYIWOTNQB-VKDGWMQASA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001172119811 905377870 /nfs/dbraw/zinc/37/78/70/905377870.db2.gz AUVOQPYIWOTNQB-VKDGWMQASA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001172119811 905377880 /nfs/dbraw/zinc/37/78/80/905377880.db2.gz AUVOQPYIWOTNQB-VKDGWMQASA-N 2 1 381.564 3.648 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001172327157 905477069 /nfs/dbraw/zinc/47/70/69/905477069.db2.gz AMCPUZYAOBJVAJ-RZUBCFFCSA-N 2 1 389.584 3.731 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172559634 905621633 /nfs/dbraw/zinc/62/16/33/905621633.db2.gz CIENTQNICWDFOP-RTWAWAEBSA-N 2 1 382.552 3.503 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000175681834 905632001 /nfs/dbraw/zinc/63/20/01/905632001.db2.gz CXSBRADLBMXCAA-UHFFFAOYSA-N 2 1 399.514 3.526 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172763449 905806572 /nfs/dbraw/zinc/80/65/72/905806572.db2.gz JHWJNHRTWHHEJX-LGGPRVQUSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001172763449 905806588 /nfs/dbraw/zinc/80/65/88/905806588.db2.gz JHWJNHRTWHHEJX-LGGPRVQUSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172763449 905806597 /nfs/dbraw/zinc/80/65/97/905806597.db2.gz JHWJNHRTWHHEJX-LGGPRVQUSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001172763449 905806611 /nfs/dbraw/zinc/80/66/11/905806611.db2.gz JHWJNHRTWHHEJX-LGGPRVQUSA-N 2 1 387.568 3.734 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001172808729 905840863 /nfs/dbraw/zinc/84/08/63/905840863.db2.gz PWRRCICYUOOUCQ-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001172808729 905840883 /nfs/dbraw/zinc/84/08/83/905840883.db2.gz PWRRCICYUOOUCQ-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001172808729 905840898 /nfs/dbraw/zinc/84/08/98/905840898.db2.gz PWRRCICYUOOUCQ-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C1)CC2 ZINC001172830047 905860189 /nfs/dbraw/zinc/86/01/89/905860189.db2.gz AWLWRJGUOLTEDY-NGSHPTGOSA-N 2 1 392.591 3.922 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C1)CC2 ZINC001172830047 905860198 /nfs/dbraw/zinc/86/01/98/905860198.db2.gz AWLWRJGUOLTEDY-NGSHPTGOSA-N 2 1 392.591 3.922 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C1)CC2 ZINC001172830047 905860207 /nfs/dbraw/zinc/86/02/07/905860207.db2.gz AWLWRJGUOLTEDY-NGSHPTGOSA-N 2 1 392.591 3.922 20 0 GHADMP CCCOC1CCC([NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC001173093351 906151928 /nfs/dbraw/zinc/15/19/28/906151928.db2.gz SPSFSYVVASULJH-UHFFFAOYSA-N 2 1 385.593 3.551 20 0 GHADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001173109537 906194175 /nfs/dbraw/zinc/19/41/75/906194175.db2.gz CPKHJYQHDQHWBR-OXYJHPMESA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001173109537 906194182 /nfs/dbraw/zinc/19/41/82/906194182.db2.gz CPKHJYQHDQHWBR-OXYJHPMESA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001173109537 906194191 /nfs/dbraw/zinc/19/41/91/906194191.db2.gz CPKHJYQHDQHWBR-OXYJHPMESA-N 2 1 389.559 3.616 20 0 GHADMP CC[C@H]1[N@H+](C2CCC([NH+](CC)CC)CC2)CCC[C@]12CCC(=O)N2CCOC ZINC001173109932 906197287 /nfs/dbraw/zinc/19/72/87/906197287.db2.gz FKDYPQCKDNDNLJ-QORUQQEXSA-N 2 1 393.616 3.521 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173133776 906215009 /nfs/dbraw/zinc/21/50/09/906215009.db2.gz FCRAEAHBUOCBKZ-VQTJNVASSA-N 2 1 397.588 3.756 20 0 GHADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173384027 906412152 /nfs/dbraw/zinc/41/21/52/906412152.db2.gz NEXWOXFCLXAZSS-FGTMMUONSA-N 2 1 398.588 3.514 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001173415421 906444425 /nfs/dbraw/zinc/44/44/25/906444425.db2.gz ICBPEKJTCZUZMQ-OWZKRDHZSA-N 2 1 375.944 3.550 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001173415421 906444432 /nfs/dbraw/zinc/44/44/32/906444432.db2.gz ICBPEKJTCZUZMQ-OWZKRDHZSA-N 2 1 375.944 3.550 20 0 GHADMP COC(=O)CCCC[C@@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173447551 906487721 /nfs/dbraw/zinc/48/77/21/906487721.db2.gz YLMPKKWGONKBLB-MISYRCLQSA-N 2 1 376.541 3.889 20 0 GHADMP FC(F)(F)CN1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001173671982 906609630 /nfs/dbraw/zinc/60/96/30/906609630.db2.gz JCDAITCJMYFAIR-WOJBJXKFSA-N 2 1 395.513 3.857 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001173671982 906609634 /nfs/dbraw/zinc/60/96/34/906609634.db2.gz JCDAITCJMYFAIR-WOJBJXKFSA-N 2 1 395.513 3.857 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001173671982 906609641 /nfs/dbraw/zinc/60/96/41/906609641.db2.gz JCDAITCJMYFAIR-WOJBJXKFSA-N 2 1 395.513 3.857 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001173656103 906641209 /nfs/dbraw/zinc/64/12/09/906641209.db2.gz ASJULCVYCGXZLQ-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001173656103 906641215 /nfs/dbraw/zinc/64/12/15/906641215.db2.gz ASJULCVYCGXZLQ-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)C1 ZINC001173656103 906641224 /nfs/dbraw/zinc/64/12/24/906641224.db2.gz ASJULCVYCGXZLQ-LDVJMBRRSA-N 2 1 384.564 3.952 20 0 GHADMP CC[NH+](CC)C1CC[NH+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001173783664 906706684 /nfs/dbraw/zinc/70/66/84/906706684.db2.gz ROIJYPYMOPXZSJ-UHFFFAOYSA-N 2 1 395.950 3.890 20 0 GHADMP CC[NH+](CC)CCn1cc(Nc2c(C)[nH+]c3ccc(Br)cn32)cn1 ZINC001203256358 906847348 /nfs/dbraw/zinc/84/73/48/906847348.db2.gz LNTLOUCBXBUQHY-UHFFFAOYSA-N 2 1 391.317 3.687 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629563697 906870826 /nfs/dbraw/zinc/87/08/26/906870826.db2.gz FFKLQBJVXJGOFA-DOTOQJQBSA-N 2 1 379.426 3.628 20 0 GHADMP COc1ccc2oc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)cc2c1 ZINC000180985972 906890159 /nfs/dbraw/zinc/89/01/59/906890159.db2.gz AXZPBOGCTLGFSW-FQEVSTJZSA-N 2 1 380.488 3.688 20 0 GHADMP Cn1c(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc2cc(F)ccc21 ZINC000181004931 906895683 /nfs/dbraw/zinc/89/56/83/906895683.db2.gz ASTLMSYDXLKOSI-UHFFFAOYSA-N 2 1 380.511 3.552 20 0 GHADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629655143 906931186 /nfs/dbraw/zinc/93/11/86/906931186.db2.gz SSSQKUAAOHKZIE-UHFFFAOYSA-N 2 1 390.531 3.504 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181726619 907063922 /nfs/dbraw/zinc/06/39/22/907063922.db2.gz MTAVJIZXYRDDNT-QFIPXVFZSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181726619 907063939 /nfs/dbraw/zinc/06/39/39/907063939.db2.gz MTAVJIZXYRDDNT-QFIPXVFZSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181726619 907063958 /nfs/dbraw/zinc/06/39/58/907063958.db2.gz MTAVJIZXYRDDNT-QFIPXVFZSA-N 2 1 385.596 3.725 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-n2ccnc2)cc1 ZINC000182243765 907167633 /nfs/dbraw/zinc/16/76/33/907167633.db2.gz WMONDHSPMMAEEE-YADARESESA-N 2 1 390.531 3.680 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844821 907250865 /nfs/dbraw/zinc/25/08/65/907250865.db2.gz HDLUCMUFYMUYKQ-WIYYLYMNSA-N 2 1 389.584 3.969 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844821 907250869 /nfs/dbraw/zinc/25/08/69/907250869.db2.gz HDLUCMUFYMUYKQ-WIYYLYMNSA-N 2 1 389.584 3.969 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844821 907250872 /nfs/dbraw/zinc/25/08/72/907250872.db2.gz HDLUCMUFYMUYKQ-WIYYLYMNSA-N 2 1 389.584 3.969 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000779478591 907295038 /nfs/dbraw/zinc/29/50/38/907295038.db2.gz QFRBNAAJSSUMNA-WIYYLYMNSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000779478591 907295056 /nfs/dbraw/zinc/29/50/56/907295056.db2.gz QFRBNAAJSSUMNA-WIYYLYMNSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000779478591 907295074 /nfs/dbraw/zinc/29/50/74/907295074.db2.gz QFRBNAAJSSUMNA-WIYYLYMNSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000779478591 907295093 /nfs/dbraw/zinc/29/50/93/907295093.db2.gz QFRBNAAJSSUMNA-WIYYLYMNSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1CN(CC[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC001174985255 907334332 /nfs/dbraw/zinc/33/43/32/907334332.db2.gz XYRSEYVGHVVXRY-LGVFNWMJSA-N 2 1 399.623 3.718 20 0 GHADMP Cc1cc(NC2=CCC[N@H+](C)C2)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001175577084 907642556 /nfs/dbraw/zinc/64/25/56/907642556.db2.gz QCBVYYCNEYAIGG-UHFFFAOYSA-N 2 1 379.552 3.735 20 0 GHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@]2(C1)C[NH+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690416 907695340 /nfs/dbraw/zinc/69/53/40/907695340.db2.gz XYJDVPAYHUVKGN-NHTMILBNSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690416 907695343 /nfs/dbraw/zinc/69/53/43/907695343.db2.gz XYJDVPAYHUVKGN-NHTMILBNSA-N 2 1 385.596 3.615 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC001175690416 907695350 /nfs/dbraw/zinc/69/53/50/907695350.db2.gz XYJDVPAYHUVKGN-NHTMILBNSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCN1c1cc[nH+]cc1 ZINC001175767580 907734029 /nfs/dbraw/zinc/73/40/29/907734029.db2.gz JFNVZFUXOSWEMD-HNNXBMFYSA-N 2 1 383.883 3.538 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001175789713 907749184 /nfs/dbraw/zinc/74/91/84/907749184.db2.gz CCEZAHGKPYTIGQ-UHFFFAOYSA-N 2 1 376.545 3.837 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001175789713 907749199 /nfs/dbraw/zinc/74/91/99/907749199.db2.gz CCEZAHGKPYTIGQ-UHFFFAOYSA-N 2 1 376.545 3.837 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccnc(N3CCSCC3)c2)cc1 ZINC000631722934 907823749 /nfs/dbraw/zinc/82/37/49/907823749.db2.gz LCFXIIYBDUDJRC-KRWDZBQOSA-N 2 1 393.560 3.980 20 0 GHADMP COC(=O)c1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1C ZINC001176264187 908032199 /nfs/dbraw/zinc/03/21/99/908032199.db2.gz VDOYBPORLHUMKS-YADHBBJMSA-N 2 1 378.516 3.736 20 0 GHADMP COC(=O)c1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)ccc1C ZINC001176264187 908032217 /nfs/dbraw/zinc/03/22/17/908032217.db2.gz VDOYBPORLHUMKS-YADHBBJMSA-N 2 1 378.516 3.736 20 0 GHADMP COC(=O)c1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1C ZINC001176264187 908032236 /nfs/dbraw/zinc/03/22/36/908032236.db2.gz VDOYBPORLHUMKS-YADHBBJMSA-N 2 1 378.516 3.736 20 0 GHADMP COC(=O)c1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1C ZINC001176264187 908032253 /nfs/dbraw/zinc/03/22/53/908032253.db2.gz VDOYBPORLHUMKS-YADHBBJMSA-N 2 1 378.516 3.736 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000633248667 908254931 /nfs/dbraw/zinc/25/49/31/908254931.db2.gz NPBKUIBPSZAWRQ-UHFFFAOYSA-N 2 1 399.583 3.540 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3-c3ccccc3)c2)CCO1 ZINC001177454798 908575975 /nfs/dbraw/zinc/57/59/75/908575975.db2.gz XUYIFYRHIPEVKH-IBGZPJMESA-N 2 1 390.531 3.598 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3-c3ccccc3)c2)CCO1 ZINC001177454798 908575987 /nfs/dbraw/zinc/57/59/87/908575987.db2.gz XUYIFYRHIPEVKH-IBGZPJMESA-N 2 1 390.531 3.598 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1nnc2n1CCCCC2 ZINC001177590752 908654731 /nfs/dbraw/zinc/65/47/31/908654731.db2.gz YDZOAJMZEXQDHQ-OAQYLSRUSA-N 2 1 397.567 3.720 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)cc(OC(F)F)c3)CC2)CC1 ZINC000634473002 908730681 /nfs/dbraw/zinc/73/06/81/908730681.db2.gz NVPFUUGHLMYWNN-UHFFFAOYSA-N 2 1 399.457 3.562 20 0 GHADMP CC(C)c1[nH+]c(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c2ccccn21 ZINC001178488641 909078782 /nfs/dbraw/zinc/07/87/82/909078782.db2.gz ZFKRRUFGKDBYDO-OAQYLSRUSA-N 2 1 392.547 3.838 20 0 GHADMP CC(C)c1[nH+]c(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccn21 ZINC001178488641 909078800 /nfs/dbraw/zinc/07/88/00/909078800.db2.gz ZFKRRUFGKDBYDO-OAQYLSRUSA-N 2 1 392.547 3.838 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001178732157 909208669 /nfs/dbraw/zinc/20/86/69/909208669.db2.gz LSXLXIRJFKTJDA-WTIAFYNJSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001178732157 909208674 /nfs/dbraw/zinc/20/86/74/909208674.db2.gz LSXLXIRJFKTJDA-WTIAFYNJSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001178732157 909208687 /nfs/dbraw/zinc/20/86/87/909208687.db2.gz LSXLXIRJFKTJDA-WTIAFYNJSA-N 2 1 383.580 3.525 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(-c3ccccn3)n[nH]2)CC1 ZINC001180052047 909917381 /nfs/dbraw/zinc/91/73/81/909917381.db2.gz OFTNTGBRKFVKPX-UHFFFAOYSA-N 2 1 375.520 3.816 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000268770478 910007251 /nfs/dbraw/zinc/00/72/51/910007251.db2.gz PSKYIKSDEYJSTH-GBXCKJPGSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000268770478 910007258 /nfs/dbraw/zinc/00/72/58/910007258.db2.gz PSKYIKSDEYJSTH-GBXCKJPGSA-N 2 1 391.559 3.952 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000268789533 910017204 /nfs/dbraw/zinc/01/72/04/910017204.db2.gz GCWNZYMAYZWZCX-QGZVFWFLSA-N 2 1 375.476 3.769 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC000268884860 910057750 /nfs/dbraw/zinc/05/77/50/910057750.db2.gz SJLHPWFEYNVEDV-INIZCTEOSA-N 2 1 388.508 3.504 20 0 GHADMP O=c1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178203 910075693 /nfs/dbraw/zinc/07/56/93/910075693.db2.gz NSXKDCHLGNSYPY-ICSRJNTNSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178203 910075704 /nfs/dbraw/zinc/07/57/04/910075704.db2.gz NSXKDCHLGNSYPY-ICSRJNTNSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178203 910075716 /nfs/dbraw/zinc/07/57/16/910075716.db2.gz NSXKDCHLGNSYPY-ICSRJNTNSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178203 910075731 /nfs/dbraw/zinc/07/57/31/910075731.db2.gz NSXKDCHLGNSYPY-ICSRJNTNSA-N 2 1 387.474 3.730 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccc(Br)cc1 ZINC000638377318 910135078 /nfs/dbraw/zinc/13/50/78/910135078.db2.gz PJKYKVAXDWRSCA-WCIQWLHISA-N 2 1 392.385 3.801 20 0 GHADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638377311 910135247 /nfs/dbraw/zinc/13/52/47/910135247.db2.gz PJKYKVAXDWRSCA-FUMNGEBKSA-N 2 1 392.385 3.801 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429638 910136218 /nfs/dbraw/zinc/13/62/18/910136218.db2.gz IRUGKFGAWVFYTN-LDVJMBRRSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429638 910136224 /nfs/dbraw/zinc/13/62/24/910136224.db2.gz IRUGKFGAWVFYTN-LDVJMBRRSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429638 910136229 /nfs/dbraw/zinc/13/62/29/910136229.db2.gz IRUGKFGAWVFYTN-LDVJMBRRSA-N 2 1 383.580 3.524 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC2CC[NH+](C)CC2)cs1)c1ccc(C)c(C)c1 ZINC000638566652 910193474 /nfs/dbraw/zinc/19/34/74/910193474.db2.gz BUDWRIWWVSOZRO-UHFFFAOYSA-N 2 1 386.565 3.876 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC2CC[NH+](C)CC2)cs1)c1ccc(F)cc1F ZINC000638567791 910194885 /nfs/dbraw/zinc/19/48/85/910194885.db2.gz RWMXGZJMLBEBDI-UHFFFAOYSA-N 2 1 394.491 3.537 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccn(C(F)F)c2=O)C[N@H+]1Cc1ccccc1 ZINC000638797679 910239304 /nfs/dbraw/zinc/23/93/04/910239304.db2.gz VBWDNAMWYKAZSR-WMZOPIPTSA-N 2 1 375.463 3.634 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639079718 910309894 /nfs/dbraw/zinc/30/98/94/910309894.db2.gz MIBPKJPUJYWARZ-GBAJDQEWSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639079718 910309905 /nfs/dbraw/zinc/30/99/05/910309905.db2.gz MIBPKJPUJYWARZ-GBAJDQEWSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639242206 910361851 /nfs/dbraw/zinc/36/18/51/910361851.db2.gz OAPLSMPROVDEDR-PSBKLILYSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCO1 ZINC000639242206 910361869 /nfs/dbraw/zinc/36/18/69/910361869.db2.gz OAPLSMPROVDEDR-PSBKLILYSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639313447 910385084 /nfs/dbraw/zinc/38/50/84/910385084.db2.gz UEMMKSHMIOZGFP-JMUQELJHSA-N 2 1 377.532 3.720 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639313447 910385095 /nfs/dbraw/zinc/38/50/95/910385095.db2.gz UEMMKSHMIOZGFP-JMUQELJHSA-N 2 1 377.532 3.720 20 0 GHADMP O[C@@H]1CC[NH+](CC(C[N@@H+]2CC[C@@H](O)CC23CCC3)c2ccccc2)C2(CCC2)C1 ZINC000639687839 910613959 /nfs/dbraw/zinc/61/39/59/910613959.db2.gz RICXELFKIBXHJI-DHIUTWEWSA-N 2 1 398.591 3.529 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3csc(COc4ccc(F)cc4)n3)C2)CC1 ZINC000639760137 910651008 /nfs/dbraw/zinc/65/10/08/910651008.db2.gz RCYFUGSTDWCFCE-UHFFFAOYSA-N 2 1 375.513 3.779 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3csc(COc4ccc(F)cc4)n3)C2)CC1 ZINC000639760137 910651015 /nfs/dbraw/zinc/65/10/15/910651015.db2.gz RCYFUGSTDWCFCE-UHFFFAOYSA-N 2 1 375.513 3.779 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001181866390 911048326 /nfs/dbraw/zinc/04/83/26/911048326.db2.gz UOFKWUONWALQRO-JVNMPXIPSA-N 2 1 387.612 3.920 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001181866390 911048345 /nfs/dbraw/zinc/04/83/45/911048345.db2.gz UOFKWUONWALQRO-JVNMPXIPSA-N 2 1 387.612 3.920 20 0 GHADMP CCCCC[NH+](C)CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001181866390 911048362 /nfs/dbraw/zinc/04/83/62/911048362.db2.gz UOFKWUONWALQRO-JVNMPXIPSA-N 2 1 387.612 3.920 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774004522 911226956 /nfs/dbraw/zinc/22/69/56/911226956.db2.gz AGJDONDHBIJNQD-FPOVZHCZSA-N 2 1 395.950 3.997 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774004522 911227017 /nfs/dbraw/zinc/22/70/17/911227017.db2.gz AGJDONDHBIJNQD-FPOVZHCZSA-N 2 1 395.950 3.997 20 0 GHADMP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239576 911362441 /nfs/dbraw/zinc/36/24/41/911362441.db2.gz GNRDDMGZYUMJPW-WXFUMESZSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239576 911362459 /nfs/dbraw/zinc/36/24/59/911362459.db2.gz GNRDDMGZYUMJPW-WXFUMESZSA-N 2 1 391.559 3.660 20 0 GHADMP C[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000283185728 911404218 /nfs/dbraw/zinc/40/42/18/911404218.db2.gz QIVYJDDQNPOPFZ-GOTSBHOMSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000283185728 911404223 /nfs/dbraw/zinc/40/42/23/911404223.db2.gz QIVYJDDQNPOPFZ-GOTSBHOMSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283185728 911404232 /nfs/dbraw/zinc/40/42/32/911404232.db2.gz QIVYJDDQNPOPFZ-GOTSBHOMSA-N 2 1 391.559 3.603 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000641662663 911475374 /nfs/dbraw/zinc/47/53/74/911475374.db2.gz IPWBFOISPQPVOM-UHFFFAOYSA-N 2 1 391.466 3.543 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2nsc3ccccc23)CC1 ZINC000641819093 911529012 /nfs/dbraw/zinc/52/90/12/911529012.db2.gz HUZZCKAFRSSQNX-UHFFFAOYSA-N 2 1 381.549 3.866 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C2 ZINC001182939744 912170350 /nfs/dbraw/zinc/17/03/50/912170350.db2.gz TWBIOBKDLTZFSF-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C2 ZINC001182939744 912170358 /nfs/dbraw/zinc/17/03/58/912170358.db2.gz TWBIOBKDLTZFSF-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186931281 914880008 /nfs/dbraw/zinc/88/00/08/914880008.db2.gz TYUIODDXJCMWEY-NRFANRHFSA-N 2 1 379.504 3.669 20 0 GHADMP CN(C)C(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000291240812 915057892 /nfs/dbraw/zinc/05/78/92/915057892.db2.gz VBRYEWIEEQLRSE-UHFFFAOYSA-N 2 1 398.526 3.716 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccs1 ZINC000647334803 915159473 /nfs/dbraw/zinc/15/94/73/915159473.db2.gz SGDJIBHXGICENC-CUWPLCDZSA-N 2 1 385.577 3.643 20 0 GHADMP C[C@@H]1[C@@H]([NH+](C)C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000647843828 915411297 /nfs/dbraw/zinc/41/12/97/915411297.db2.gz HOLGUUAFVUJAJH-QAPCUYQASA-N 2 1 395.576 3.949 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975477 915458044 /nfs/dbraw/zinc/45/80/44/915458044.db2.gz ATMYUVUOHWZEKP-PMPSAXMXSA-N 2 1 383.458 3.744 20 0 GHADMP C[N@@H+](Cc1cnc(-c2ccccc2F)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648586007 915779873 /nfs/dbraw/zinc/77/98/73/915779873.db2.gz KQJLWIACFKQGSI-QGZVFWFLSA-N 2 1 388.556 3.550 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)CC1 ZINC000366884796 921798874 /nfs/dbraw/zinc/79/88/74/921798874.db2.gz ONUNDPXPESOJBO-UHFFFAOYSA-N 2 1 383.458 3.842 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776969 915859468 /nfs/dbraw/zinc/85/94/68/915859468.db2.gz RFFMIGAAPHSTGN-PZJWPPBQSA-N 2 1 386.923 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000648754731 915863510 /nfs/dbraw/zinc/86/35/10/915863510.db2.gz YPTHRIFIFHKHNI-MRXNPFEDSA-N 2 1 376.932 3.640 20 0 GHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000292898416 915894244 /nfs/dbraw/zinc/89/42/44/915894244.db2.gz DIOIMVRKHOSQTD-CYFREDJKSA-N 2 1 398.522 3.915 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000648848036 915908221 /nfs/dbraw/zinc/90/82/21/915908221.db2.gz MDTDYRWNOQKNEN-GOSISDBHSA-N 2 1 383.540 3.566 20 0 GHADMP CC[N@H+](CCCNc1ncnc2c1cnn2-c1cc[nH+]cc1)C1CCCCC1 ZINC000649477794 916182644 /nfs/dbraw/zinc/18/26/44/916182644.db2.gz GOPUWVUFTVRKIB-UHFFFAOYSA-N 2 1 379.512 3.667 20 0 GHADMP CC[N@@H+](CCCNc1ncnc2c1cnn2-c1cc[nH+]cc1)C1CCCCC1 ZINC000649477794 916182656 /nfs/dbraw/zinc/18/26/56/916182656.db2.gz GOPUWVUFTVRKIB-UHFFFAOYSA-N 2 1 379.512 3.667 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)NC(=O)CO4)cc2)C1 ZINC000294315122 916732134 /nfs/dbraw/zinc/73/21/34/916732134.db2.gz QSJCPXDININKFN-KRWDZBQOSA-N 2 1 379.504 3.539 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2Cl)C1 ZINC000650724096 917249772 /nfs/dbraw/zinc/24/97/72/917249772.db2.gz YFYDUMUDKWVUQW-PVAVHDDUSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2Cl)C1 ZINC000650724096 917249784 /nfs/dbraw/zinc/24/97/84/917249784.db2.gz YFYDUMUDKWVUQW-PVAVHDDUSA-N 2 1 387.749 3.963 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001190828577 917585832 /nfs/dbraw/zinc/58/58/32/917585832.db2.gz XAKZUWUBLFNKAB-WOJBJXKFSA-N 2 1 394.987 3.976 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001190828577 917585844 /nfs/dbraw/zinc/58/58/44/917585844.db2.gz XAKZUWUBLFNKAB-WOJBJXKFSA-N 2 1 394.987 3.976 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnnn3-c3ccccc3)cc2)C1 ZINC000651677781 917692085 /nfs/dbraw/zinc/69/20/85/917692085.db2.gz UIGBLWRUMXXWPB-IBGZPJMESA-N 2 1 375.520 3.789 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652073795 917793018 /nfs/dbraw/zinc/79/30/18/917793018.db2.gz QQXWNZSTLSCJHB-CWKRKGSWSA-N 2 1 391.559 3.653 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCc2ccccc21 ZINC000652227699 917847012 /nfs/dbraw/zinc/84/70/12/917847012.db2.gz MRBHZBWEYAAHNE-AGDMDRQQSA-N 2 1 376.544 3.648 20 0 GHADMP OC[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCc2ccccc21 ZINC000652227701 917847419 /nfs/dbraw/zinc/84/74/19/917847419.db2.gz MRBHZBWEYAAHNE-UCKMRUJXSA-N 2 1 376.544 3.648 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]1CC[NH3+] ZINC000652353839 917879009 /nfs/dbraw/zinc/87/90/09/917879009.db2.gz FJWMQDWNRHNVNN-SFGWALBWSA-N 2 1 385.577 3.793 20 0 GHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)cc1OC ZINC000652355634 917879554 /nfs/dbraw/zinc/87/95/54/917879554.db2.gz BQCNSAIYIIFQTM-RHSMWYFYSA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cs2)cc1OC ZINC000652355634 917879560 /nfs/dbraw/zinc/87/95/60/917879560.db2.gz BQCNSAIYIIFQTM-RHSMWYFYSA-N 2 1 375.538 3.777 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653153395 918144421 /nfs/dbraw/zinc/14/44/21/918144421.db2.gz OHBNXDUANYZTBD-RBUKOAKNSA-N 2 1 396.362 3.605 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796568553 918248401 /nfs/dbraw/zinc/24/84/01/918248401.db2.gz BKIZFNKGSQFOTD-AZUAARDMSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796568553 918248419 /nfs/dbraw/zinc/24/84/19/918248419.db2.gz BKIZFNKGSQFOTD-AZUAARDMSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CC(C)C)CC1 ZINC001191901464 918291432 /nfs/dbraw/zinc/29/14/32/918291432.db2.gz ZWFSNZREPSWNFV-HSZRJFAPSA-N 2 1 385.596 3.976 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ncc(C(F)(F)F)cc2Br)CC1 ZINC001205578956 918399036 /nfs/dbraw/zinc/39/90/36/918399036.db2.gz KRFNCHJSNHXKFO-CYBMUJFWSA-N 2 1 384.215 3.516 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CC1 ZINC001205578956 918399042 /nfs/dbraw/zinc/39/90/42/918399042.db2.gz KRFNCHJSNHXKFO-CYBMUJFWSA-N 2 1 384.215 3.516 20 0 GHADMP C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775509701 918490748 /nfs/dbraw/zinc/49/07/48/918490748.db2.gz PKOIMINMJOOLAZ-WMQCIHAUSA-N 2 1 387.568 3.790 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001192235296 918559142 /nfs/dbraw/zinc/55/91/42/918559142.db2.gz ZHOHALWEELWIJY-UHFFFAOYSA-N 2 1 378.451 3.614 20 0 GHADMP Brc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000297330029 919248255 /nfs/dbraw/zinc/24/82/55/919248255.db2.gz CTJZFACRBPGCRQ-UHFFFAOYSA-N 2 1 392.385 3.630 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381776691 919690232 /nfs/dbraw/zinc/69/02/32/919690232.db2.gz DJYSFZFTYZOLDK-NSHGMRRFSA-N 2 1 375.557 3.647 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381788961 919695877 /nfs/dbraw/zinc/69/58/77/919695877.db2.gz JVWQYASMTKPPLT-SESVDKBCSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000381895733 919716483 /nfs/dbraw/zinc/71/64/83/919716483.db2.gz GCIKYPOIILVLMX-LJQANCHMSA-N 2 1 375.557 3.792 20 0 GHADMP CN(C)c1ncc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000366981009 921854735 /nfs/dbraw/zinc/85/47/35/921854735.db2.gz JDQULUDVTMDKGY-VCYXJBJXSA-N 2 1 399.970 3.900 20 0 GHADMP O=C(NCc1c[nH+]c2n1CCCC2)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000367471078 922124493 /nfs/dbraw/zinc/12/44/93/922124493.db2.gz ODGKMVHHGGCISJ-UHFFFAOYSA-N 2 1 381.524 3.570 20 0 GHADMP Cc1cc(C[NH2+][C@H](CCCC[NH3+])c2ccc(F)cc2F)nc(N2CCCC2)n1 ZINC000902386853 922150380 /nfs/dbraw/zinc/15/03/80/922150380.db2.gz GNQYYGOESPQGMH-HXUWFJFHSA-N 2 1 389.494 3.623 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902947486 922628478 /nfs/dbraw/zinc/62/84/78/922628478.db2.gz JLRFHRMJWKASMH-BEFAXECRSA-N 2 1 393.453 3.908 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902947486 922628487 /nfs/dbraw/zinc/62/84/87/922628487.db2.gz JLRFHRMJWKASMH-BEFAXECRSA-N 2 1 393.453 3.908 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000903047861 922726393 /nfs/dbraw/zinc/72/63/93/922726393.db2.gz FSCOLTSOSHLNDB-KDOFPFPSSA-N 2 1 379.426 3.518 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000903085955 922761481 /nfs/dbraw/zinc/76/14/81/922761481.db2.gz JHQVUFSFINFWEW-PYVWZIQOSA-N 2 1 377.573 3.769 20 0 GHADMP COc1ccccc1-c1noc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000369304879 923267931 /nfs/dbraw/zinc/26/79/31/923267931.db2.gz HMKLSGVFTQJROT-UHFFFAOYSA-N 2 1 381.480 3.520 20 0 GHADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(OCC(F)(F)F)c1Br)C2 ZINC000903842544 923335312 /nfs/dbraw/zinc/33/53/12/923335312.db2.gz PCBUQIZCRIGNNJ-UHTWSYAYSA-N 2 1 393.247 3.702 20 0 GHADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(OCC(F)(F)F)c1Br)C2 ZINC000903842544 923335327 /nfs/dbraw/zinc/33/53/27/923335327.db2.gz PCBUQIZCRIGNNJ-UHTWSYAYSA-N 2 1 393.247 3.702 20 0 GHADMP OC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000903940126 923414141 /nfs/dbraw/zinc/41/41/41/923414141.db2.gz XWPXKVKSBAAVEM-CEXWTWQISA-N 2 1 375.310 3.565 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000369829674 923653188 /nfs/dbraw/zinc/65/31/88/923653188.db2.gz DZNHSJLNGPHGBM-GOSISDBHSA-N 2 1 386.584 3.872 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(OC)c1O ZINC000370672749 924248850 /nfs/dbraw/zinc/24/88/50/924248850.db2.gz HHRZMNCDQPTRGG-KXBFYZLASA-N 2 1 376.522 3.644 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(OC)c1O ZINC000370672749 924248870 /nfs/dbraw/zinc/24/88/70/924248870.db2.gz HHRZMNCDQPTRGG-KXBFYZLASA-N 2 1 376.522 3.644 20 0 GHADMP Cc1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001137290301 924329767 /nfs/dbraw/zinc/32/97/67/924329767.db2.gz WVJYAZMIPSJXIE-QZTJIDSGSA-N 2 1 391.968 3.828 20 0 GHADMP Cc1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001137290301 924329774 /nfs/dbraw/zinc/32/97/74/924329774.db2.gz WVJYAZMIPSJXIE-QZTJIDSGSA-N 2 1 391.968 3.828 20 0 GHADMP Cc1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001137290301 924329783 /nfs/dbraw/zinc/32/97/83/924329783.db2.gz WVJYAZMIPSJXIE-QZTJIDSGSA-N 2 1 391.968 3.828 20 0 GHADMP Cc1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001137290301 924329790 /nfs/dbraw/zinc/32/97/90/924329790.db2.gz WVJYAZMIPSJXIE-QZTJIDSGSA-N 2 1 391.968 3.828 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)CC1 ZINC000371334118 924531558 /nfs/dbraw/zinc/53/15/58/924531558.db2.gz XHKKYUWCLOOBIE-MRXNPFEDSA-N 2 1 387.902 3.542 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(Cl)c3)C2)CC1 ZINC000371334118 924531572 /nfs/dbraw/zinc/53/15/72/924531572.db2.gz XHKKYUWCLOOBIE-MRXNPFEDSA-N 2 1 387.902 3.542 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000678277123 924703434 /nfs/dbraw/zinc/70/34/34/924703434.db2.gz QZPBQZBDEPPRKD-FQEVSTJZSA-N 2 1 384.495 3.861 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000678672758 924880917 /nfs/dbraw/zinc/88/09/17/924880917.db2.gz CRXBNNZMIYKLBC-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cnc4ccccn34)cc2)C[C@H]1C ZINC000678733137 924899928 /nfs/dbraw/zinc/89/99/28/924899928.db2.gz GCURDLXLBODOOL-BGYRXZFFSA-N 2 1 392.547 3.633 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CC[N@H+]1C ZINC000679091978 925026236 /nfs/dbraw/zinc/02/62/36/925026236.db2.gz OGMFYBMCHGIUGV-QPPBQGQZSA-N 2 1 392.591 3.946 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC001137389728 925277239 /nfs/dbraw/zinc/27/72/39/925277239.db2.gz BLCJCQLBDMRZAQ-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC001137389728 925277241 /nfs/dbraw/zinc/27/72/41/925277241.db2.gz BLCJCQLBDMRZAQ-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)C1 ZINC001137389728 925277243 /nfs/dbraw/zinc/27/72/43/925277243.db2.gz BLCJCQLBDMRZAQ-JWQCQUIFSA-N 2 1 391.559 3.929 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)NCc1ccccc1 ZINC000680039084 925338502 /nfs/dbraw/zinc/33/85/02/925338502.db2.gz RKQMAHBTJQJMGW-GMHONNGPSA-N 2 1 391.559 3.582 20 0 GHADMP C[C@H](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)[NH+]1CCCCC1 ZINC000680314372 925438122 /nfs/dbraw/zinc/43/81/22/925438122.db2.gz RINAXHQKLFUJNV-NHCUHLMSSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000410337492 925552665 /nfs/dbraw/zinc/55/26/65/925552665.db2.gz OHRQEWWGKQIWKW-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000410373707 925586075 /nfs/dbraw/zinc/58/60/75/925586075.db2.gz RCQYOPUAGLFLSG-FQEVSTJZSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410391069 925609052 /nfs/dbraw/zinc/60/90/52/925609052.db2.gz GXXZNQUYVZXFQQ-REWPJTCUSA-N 2 1 398.595 3.831 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000410389852 925609946 /nfs/dbraw/zinc/60/99/46/925609946.db2.gz DFGGSCOMELNWEE-HXUWFJFHSA-N 2 1 388.600 3.790 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(c2cccnn2)CC1 ZINC000411383729 926345251 /nfs/dbraw/zinc/34/52/51/926345251.db2.gz LXWRQFBRBZMCEC-UHFFFAOYSA-N 2 1 379.552 3.563 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H]([C@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000411392793 926353994 /nfs/dbraw/zinc/35/39/94/926353994.db2.gz DIKRATHHPDZNMS-QXHWAKKDSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000411392793 926353999 /nfs/dbraw/zinc/35/39/99/926353999.db2.gz DIKRATHHPDZNMS-QXHWAKKDSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000411392793 926354010 /nfs/dbraw/zinc/35/40/10/926354010.db2.gz DIKRATHHPDZNMS-QXHWAKKDSA-N 2 1 392.628 3.900 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390608939 926395962 /nfs/dbraw/zinc/39/59/62/926395962.db2.gz WICNSYVOYRCGDX-AFQACZAZSA-N 2 1 385.552 3.827 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCCc2ccccc2)cc1 ZINC000543813963 926406563 /nfs/dbraw/zinc/40/65/63/926406563.db2.gz PSBZDWDIVZNFFI-GOSISDBHSA-N 2 1 376.504 3.580 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCCc2ccccc2)cc1 ZINC000543813964 926406699 /nfs/dbraw/zinc/40/66/99/926406699.db2.gz PSBZDWDIVZNFFI-SFHVURJKSA-N 2 1 376.504 3.580 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373865290 926505721 /nfs/dbraw/zinc/50/57/21/926505721.db2.gz HSSTVNLBSPRABB-LGKPFJOYSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411553139 926508511 /nfs/dbraw/zinc/50/85/11/926508511.db2.gz QTKOAXYSAHYVRY-GHTZIAJQSA-N 2 1 376.504 3.779 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccccc1Cl ZINC000374211182 926901580 /nfs/dbraw/zinc/90/15/80/926901580.db2.gz YZJGBXZNWORMRZ-UHFFFAOYSA-N 2 1 391.987 3.537 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000374604106 927329900 /nfs/dbraw/zinc/32/99/00/927329900.db2.gz OHJORZQRIBKAFH-XMMPIXPASA-N 2 1 392.591 3.936 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000374604106 927329913 /nfs/dbraw/zinc/32/99/13/927329913.db2.gz OHJORZQRIBKAFH-XMMPIXPASA-N 2 1 392.591 3.936 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000752004833 928544325 /nfs/dbraw/zinc/54/43/25/928544325.db2.gz YVBQDHOXAPNJEX-DNQXCXABSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000752004833 928544334 /nfs/dbraw/zinc/54/43/34/928544334.db2.gz YVBQDHOXAPNJEX-DNQXCXABSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000752004833 928544346 /nfs/dbraw/zinc/54/43/46/928544346.db2.gz YVBQDHOXAPNJEX-DNQXCXABSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000752004833 928544362 /nfs/dbraw/zinc/54/43/62/928544362.db2.gz YVBQDHOXAPNJEX-DNQXCXABSA-N 2 1 392.543 3.889 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000544232648 928959182 /nfs/dbraw/zinc/95/91/82/928959182.db2.gz LYNKRTQFMMMYRK-PZJWPPBQSA-N 2 1 398.595 3.828 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1)CC1CC1 ZINC000544332747 929061156 /nfs/dbraw/zinc/06/11/56/929061156.db2.gz YTSKKEPTFCBQTR-HXUWFJFHSA-N 2 1 392.632 3.795 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000544348531 929081728 /nfs/dbraw/zinc/08/17/28/929081728.db2.gz NHJKAEUNIAQPNU-OALUTQOASA-N 2 1 375.520 3.671 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421422 929158661 /nfs/dbraw/zinc/15/86/61/929158661.db2.gz SVPRLPXTLOKUOO-SFTDATJTSA-N 2 1 397.607 3.857 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421422 929158666 /nfs/dbraw/zinc/15/86/66/929158666.db2.gz SVPRLPXTLOKUOO-SFTDATJTSA-N 2 1 397.607 3.857 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000753548068 929406668 /nfs/dbraw/zinc/40/66/68/929406668.db2.gz ATGWECDNIMRSMI-YADHBBJMSA-N 2 1 380.467 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000757786576 929799140 /nfs/dbraw/zinc/79/91/40/929799140.db2.gz HSKRZKSINJWLDW-OXJNMPFZSA-N 2 1 381.524 3.659 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000757786576 929799148 /nfs/dbraw/zinc/79/91/48/929799148.db2.gz HSKRZKSINJWLDW-OXJNMPFZSA-N 2 1 381.524 3.659 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]32)cc1 ZINC000546052005 929805850 /nfs/dbraw/zinc/80/58/50/929805850.db2.gz HJVHPHMILZWFJL-FCHUYYIVSA-N 2 1 391.563 3.958 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@H]32)cc1 ZINC000546052005 929805862 /nfs/dbraw/zinc/80/58/62/929805862.db2.gz HJVHPHMILZWFJL-FCHUYYIVSA-N 2 1 391.563 3.958 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000546335720 930065179 /nfs/dbraw/zinc/06/51/79/930065179.db2.gz OVUKISZMWTUQCV-RBWAZQEJSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)c1nccn1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469832134 930189480 /nfs/dbraw/zinc/18/94/80/930189480.db2.gz RVUVFCOMSFUVJO-FPOVZHCZSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469832134 930189484 /nfs/dbraw/zinc/18/94/84/930189484.db2.gz RVUVFCOMSFUVJO-FPOVZHCZSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000469832134 930189486 /nfs/dbraw/zinc/18/94/86/930189486.db2.gz RVUVFCOMSFUVJO-FPOVZHCZSA-N 2 1 382.552 3.908 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000546887722 930511319 /nfs/dbraw/zinc/51/13/19/930511319.db2.gz GECNUSPCHOMLBD-VGSWGCGISA-N 2 1 399.966 3.901 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000470489014 930660479 /nfs/dbraw/zinc/66/04/79/930660479.db2.gz BDNWGWWLNNRFFR-OAQYLSRUSA-N 2 1 388.600 3.801 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)c(F)c1 ZINC000781419870 930836228 /nfs/dbraw/zinc/83/62/28/930836228.db2.gz FSDIOAOEQASPTH-TWRVUUBYSA-N 2 1 386.486 3.889 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1F ZINC000781421090 930837343 /nfs/dbraw/zinc/83/73/43/930837343.db2.gz OFFMFEJMTDBVTN-CZEIZJIKSA-N 2 1 386.486 3.889 20 0 GHADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000781422885 930838770 /nfs/dbraw/zinc/83/87/70/930838770.db2.gz QDMAWCSGVDWEFU-LSUHJGNXSA-N 2 1 382.523 3.924 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000781883810 931010362 /nfs/dbraw/zinc/01/03/62/931010362.db2.gz QHFKFVVNMQYOGQ-VQTJNVASSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000547432687 931015132 /nfs/dbraw/zinc/01/51/32/931015132.db2.gz NDPVKFYRQYSKLL-UHFFFAOYSA-N 2 1 398.816 3.758 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000782182332 931111120 /nfs/dbraw/zinc/11/11/20/931111120.db2.gz GPZYLEBRNLGZOJ-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000782182332 931111126 /nfs/dbraw/zinc/11/11/26/931111126.db2.gz GPZYLEBRNLGZOJ-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000782182332 931111132 /nfs/dbraw/zinc/11/11/32/931111132.db2.gz GPZYLEBRNLGZOJ-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000782182332 931111136 /nfs/dbraw/zinc/11/11/36/931111136.db2.gz GPZYLEBRNLGZOJ-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000782935991 931368261 /nfs/dbraw/zinc/36/82/61/931368261.db2.gz CNSDDWJNXMAQOK-OALUTQOASA-N 2 1 385.552 3.648 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000782935991 931368267 /nfs/dbraw/zinc/36/82/67/931368267.db2.gz CNSDDWJNXMAQOK-OALUTQOASA-N 2 1 385.552 3.648 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000782935991 931368270 /nfs/dbraw/zinc/36/82/70/931368270.db2.gz CNSDDWJNXMAQOK-OALUTQOASA-N 2 1 385.552 3.648 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(-n2cnnc2)c1 ZINC000924648806 931461039 /nfs/dbraw/zinc/46/10/39/931461039.db2.gz NWCBOZIZQOGWJZ-IBGZPJMESA-N 2 1 375.520 3.625 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000924659474 931466202 /nfs/dbraw/zinc/46/62/02/931466202.db2.gz LLPSMAVMAMWAEC-JOCHJYFZSA-N 2 1 386.971 3.832 20 0 GHADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924671016 931469447 /nfs/dbraw/zinc/46/94/47/931469447.db2.gz OLBJYDGSMZZEOU-JPYJTQIMSA-N 2 1 378.520 3.533 20 0 GHADMP COCCSc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000924938619 931590417 /nfs/dbraw/zinc/59/04/17/931590417.db2.gz MXYYRYZEYOJQLG-VOBGVNJCSA-N 2 1 378.582 3.718 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924960587 931594944 /nfs/dbraw/zinc/59/49/44/931594944.db2.gz TUTJHAGEROIBRK-XMMPIXPASA-N 2 1 392.547 3.780 20 0 GHADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)CC1 ZINC000925059261 931630013 /nfs/dbraw/zinc/63/00/13/931630013.db2.gz HKUNKQDNKUJXNW-GOSISDBHSA-N 2 1 391.575 3.948 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000925222877 931707972 /nfs/dbraw/zinc/70/79/72/931707972.db2.gz UKJCOUDGEJCQCP-NRFANRHFSA-N 2 1 385.939 3.859 20 0 GHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925557865 931822466 /nfs/dbraw/zinc/82/24/66/931822466.db2.gz QBPGSJMMLDEIDY-ZTCHMBHUSA-N 2 1 397.607 3.540 20 0 GHADMP CC(C)[C@@H](CNc1cc[nH+]c2cc(Br)ccc12)[NH+]1CCOCC1 ZINC000558076613 931829029 /nfs/dbraw/zinc/82/90/29/931829029.db2.gz UHDLWVBFDYQVPT-GOSISDBHSA-N 2 1 378.314 3.766 20 0 GHADMP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000925885766 931936291 /nfs/dbraw/zinc/93/62/91/931936291.db2.gz AATORJQVBYIUBV-CBQOMJJJSA-N 3 1 375.560 3.831 20 0 GHADMP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000925885766 931936298 /nfs/dbraw/zinc/93/62/98/931936298.db2.gz AATORJQVBYIUBV-CBQOMJJJSA-N 2 1 375.560 3.831 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000558316552 931937717 /nfs/dbraw/zinc/93/77/17/931937717.db2.gz LLXJFMUAUKAURU-IRLDBZIGSA-N 2 1 388.600 3.517 20 0 GHADMP C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925888521 931939096 /nfs/dbraw/zinc/93/90/96/931939096.db2.gz VAEIPQMLVQVEOJ-PUTINYOFSA-N 2 1 395.591 3.809 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000558476903 932024602 /nfs/dbraw/zinc/02/46/02/932024602.db2.gz ZJABLCYBJZJVES-PMNYKWLYSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000558476903 932024612 /nfs/dbraw/zinc/02/46/12/932024612.db2.gz ZJABLCYBJZJVES-PMNYKWLYSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000558476903 932024624 /nfs/dbraw/zinc/02/46/24/932024624.db2.gz ZJABLCYBJZJVES-PMNYKWLYSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000558476903 932024633 /nfs/dbraw/zinc/02/46/33/932024633.db2.gz ZJABLCYBJZJVES-PMNYKWLYSA-N 2 1 383.580 3.618 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc(N2CCCC2)n1 ZINC000558505073 932040376 /nfs/dbraw/zinc/04/03/76/932040376.db2.gz WMMOPZXHITWROA-WXFUMESZSA-N 2 1 390.575 3.990 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000797023966 932150621 /nfs/dbraw/zinc/15/06/21/932150621.db2.gz WWLVJXUMCRXFTP-SBHAEUEKSA-N 2 1 385.552 3.737 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccn2)cc1 ZINC000926690195 932273399 /nfs/dbraw/zinc/27/33/99/932273399.db2.gz OCPVMTDMEWRZEZ-NOZRDPDXSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccn2)cc1 ZINC000926690195 932273403 /nfs/dbraw/zinc/27/34/03/932273403.db2.gz OCPVMTDMEWRZEZ-NOZRDPDXSA-N 2 1 387.527 3.836 20 0 GHADMP CN(CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C(=O)OC(C)(C)C ZINC000797992111 932482813 /nfs/dbraw/zinc/48/28/13/932482813.db2.gz WMAZUSVDBKCSON-UHFFFAOYSA-N 2 1 376.545 3.656 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559268859 932567086 /nfs/dbraw/zinc/56/70/86/932567086.db2.gz KQCZTAMPFHDMQM-IRLDBZIGSA-N 2 1 399.604 3.987 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000559268859 932567091 /nfs/dbraw/zinc/56/70/91/932567091.db2.gz KQCZTAMPFHDMQM-IRLDBZIGSA-N 2 1 399.604 3.987 20 0 GHADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000559268859 932567097 /nfs/dbraw/zinc/56/70/97/932567097.db2.gz KQCZTAMPFHDMQM-IRLDBZIGSA-N 2 1 399.604 3.987 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798497793 932672703 /nfs/dbraw/zinc/67/27/03/932672703.db2.gz BQDDDKUXWBPKQO-HSZRJFAPSA-N 2 1 384.520 3.680 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798497793 932672708 /nfs/dbraw/zinc/67/27/08/932672708.db2.gz BQDDDKUXWBPKQO-HSZRJFAPSA-N 2 1 384.520 3.680 20 0 GHADMP COc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000798498352 932673671 /nfs/dbraw/zinc/67/36/71/932673671.db2.gz QYPZBNSXAQALFI-QHCPKHFHSA-N 2 1 384.520 3.714 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000559743574 932831743 /nfs/dbraw/zinc/83/17/43/932831743.db2.gz PYPKHYVFCXXQTQ-RBZQAINGSA-N 2 1 397.538 3.624 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000559743574 932831750 /nfs/dbraw/zinc/83/17/50/932831750.db2.gz PYPKHYVFCXXQTQ-RBZQAINGSA-N 2 1 397.538 3.624 20 0 GHADMP C[C@]1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000799013630 932852222 /nfs/dbraw/zinc/85/22/22/932852222.db2.gz UMVXVBBTIVJRSR-XUZZJYLKSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@]1(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000799013630 932852225 /nfs/dbraw/zinc/85/22/25/932852225.db2.gz UMVXVBBTIVJRSR-XUZZJYLKSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@]1(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799013630 932852233 /nfs/dbraw/zinc/85/22/33/932852233.db2.gz UMVXVBBTIVJRSR-XUZZJYLKSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176779 932897810 /nfs/dbraw/zinc/89/78/10/932897810.db2.gz DNEFOPRBJXNQCT-OAHLLOKOSA-N 2 1 394.357 3.584 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000799178962 932900386 /nfs/dbraw/zinc/90/03/86/932900386.db2.gz UMEULNLMSBTGML-MSOLQXFVSA-N 2 1 383.536 3.806 20 0 GHADMP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C1CCN(CCc2ccccn2)CC1 ZINC000560160511 933100292 /nfs/dbraw/zinc/10/02/92/933100292.db2.gz ZTYYIBZXVMYKPP-UHFFFAOYSA-N 2 1 378.442 3.634 20 0 GHADMP C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000560245719 933153530 /nfs/dbraw/zinc/15/35/30/933153530.db2.gz IGXSKNHJZOCQPA-GOSISDBHSA-N 2 1 375.557 3.652 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001115984804 933269895 /nfs/dbraw/zinc/26/98/95/933269895.db2.gz DGWFBOUGUDHCDP-HXUWFJFHSA-N 2 1 394.523 3.526 20 0 GHADMP CCCN1CCCC[C@@H]1C(=O)Nc1nc2ccccc2n1CCCn1ccnc1 ZINC001115984804 933269903 /nfs/dbraw/zinc/26/99/03/933269903.db2.gz DGWFBOUGUDHCDP-HXUWFJFHSA-N 2 1 394.523 3.526 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000560482179 933283017 /nfs/dbraw/zinc/28/30/17/933283017.db2.gz LDMNDORLJUEDRS-RXVVDRJESA-N 2 1 385.577 3.640 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000560482179 933283023 /nfs/dbraw/zinc/28/30/23/933283023.db2.gz LDMNDORLJUEDRS-RXVVDRJESA-N 2 1 385.577 3.640 20 0 GHADMP CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000560543482 933328680 /nfs/dbraw/zinc/32/86/80/933328680.db2.gz IHFMDGGUBGZRHJ-YPAWHYETSA-N 2 1 383.580 3.573 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000561081294 933844657 /nfs/dbraw/zinc/84/46/57/933844657.db2.gz BEGNPIJSNBQGII-HSZRJFAPSA-N 2 1 379.548 3.667 20 0 GHADMP CC[N@H+](CCCC1CC[NH+]([C@H](C)c2ncccn2)CC1)[C@H](C)c1ncccn1 ZINC000930142515 933857296 /nfs/dbraw/zinc/85/72/96/933857296.db2.gz KCWUQFRIPARRPD-RTBURBONSA-N 2 1 382.556 3.903 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+]([C@H](C)c2ncccn2)CC1)[C@H](C)c1ncccn1 ZINC000930142515 933857304 /nfs/dbraw/zinc/85/73/04/933857304.db2.gz KCWUQFRIPARRPD-RTBURBONSA-N 2 1 382.556 3.903 20 0 GHADMP CC1CC[NH+](CCc2nnc(-c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)o2)CC1 ZINC001117249263 933907819 /nfs/dbraw/zinc/90/78/19/933907819.db2.gz RFLIZVRUQFDHFV-KDURUIRLSA-N 2 1 398.551 3.620 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117726589 933997459 /nfs/dbraw/zinc/99/74/59/933997459.db2.gz GTXNXVQPKDPXJY-FRIKZZABSA-N 2 1 380.536 3.674 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117726589 933997463 /nfs/dbraw/zinc/99/74/63/933997463.db2.gz GTXNXVQPKDPXJY-FRIKZZABSA-N 2 1 380.536 3.674 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH2+][C@H](C)c3cnn(C)c3C)c2)cnn1C ZINC001117801560 934032817 /nfs/dbraw/zinc/03/28/17/934032817.db2.gz SBZRRLUJKGRKKY-HUUCEWRRSA-N 2 1 398.530 3.611 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)[C@@H](C[NH3+])CCC4)CC2)cc1 ZINC001118507151 934183828 /nfs/dbraw/zinc/18/38/28/934183828.db2.gz VVXBOFHVASFZKV-HSZRJFAPSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000561470172 934192950 /nfs/dbraw/zinc/19/29/50/934192950.db2.gz AHDLOVLSFKXSGY-NRFANRHFSA-N 2 1 384.568 3.520 20 0 GHADMP CC1(C)C[N@@H+](Cc2[nH]nc3c2COCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000931083369 934367490 /nfs/dbraw/zinc/36/74/90/934367490.db2.gz JZRMPLUJGGTNIY-QHCPKHFHSA-N 2 1 394.563 3.605 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C(F)(F)F ZINC001119943403 934422520 /nfs/dbraw/zinc/42/25/20/934422520.db2.gz PBJMRJMXWWDQHA-YYIAUSFCSA-N 2 1 378.479 3.607 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120694 934709737 /nfs/dbraw/zinc/70/97/37/934709737.db2.gz OGDYUUBAWSHPMC-UHFFFAOYSA-N 2 1 394.563 3.911 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000562242201 934781463 /nfs/dbraw/zinc/78/14/63/934781463.db2.gz MIBLVZQNJKAEAP-YADHBBJMSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000562242201 934781469 /nfs/dbraw/zinc/78/14/69/934781469.db2.gz MIBLVZQNJKAEAP-YADHBBJMSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000562242201 934781475 /nfs/dbraw/zinc/78/14/75/934781475.db2.gz MIBLVZQNJKAEAP-YADHBBJMSA-N 2 1 398.595 3.605 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001137604525 935618726 /nfs/dbraw/zinc/61/87/26/935618726.db2.gz NEDUSUDVKCGQSP-UEVCKROQSA-N 2 1 385.596 3.723 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001625835268 1014217972 /nfs/dbraw/zinc/21/79/72/1014217972.db2.gz BCIFWGOXLRBCFI-UHFFFAOYSA-N 2 1 393.575 3.853 20 0 GHADMP CC(C)c1nc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000374202398 1015064213 /nfs/dbraw/zinc/06/42/13/1015064213.db2.gz RLAKJFPMGDRLCY-UHFFFAOYSA-N 2 1 392.613 3.535 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467972864 1015086604 /nfs/dbraw/zinc/08/66/04/1015086604.db2.gz HHRJPNODUQAPCW-OAQYLSRUSA-N 2 1 382.552 3.986 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000468416933 1015688099 /nfs/dbraw/zinc/68/80/99/1015688099.db2.gz KDHWJCJPCPGZDB-FQEVSTJZSA-N 2 1 388.600 3.934 20 0 GHADMP Cc1cccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000468430368 1015700434 /nfs/dbraw/zinc/70/04/34/1015700434.db2.gz TWNZTIOJZUMHRE-GBXCKJPGSA-N 2 1 393.575 3.803 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000468750022 1015990626 /nfs/dbraw/zinc/99/06/26/1015990626.db2.gz UOZUQXMKWWZHLF-KSZLIROESA-N 2 1 383.536 3.972 20 0 GHADMP CCc1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)n1 ZINC000557705837 1017032617 /nfs/dbraw/zinc/03/26/17/1017032617.db2.gz YCYAETSSACGSOH-MSOLQXFVSA-N 2 1 393.601 3.506 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)c1 ZINC001154889463 1032330511 /nfs/dbraw/zinc/33/05/11/1032330511.db2.gz NTQMBRWIEQLMTM-NZQKXSOJSA-N 2 1 383.580 3.825 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCCC3)[C@@H](C)C2)c1 ZINC001154889463 1032330520 /nfs/dbraw/zinc/33/05/20/1032330520.db2.gz NTQMBRWIEQLMTM-NZQKXSOJSA-N 2 1 383.580 3.825 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCCC3)[C@@H](C)C2)c1 ZINC001154889463 1032330523 /nfs/dbraw/zinc/33/05/23/1032330523.db2.gz NTQMBRWIEQLMTM-NZQKXSOJSA-N 2 1 383.580 3.825 20 0 GHADMP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001221251870 1032348719 /nfs/dbraw/zinc/34/87/19/1032348719.db2.gz LPCXHKSLPIHQJQ-RUZDIDTESA-N 2 1 389.543 3.855 20 0 GHADMP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001221251870 1032348732 /nfs/dbraw/zinc/34/87/32/1032348732.db2.gz LPCXHKSLPIHQJQ-RUZDIDTESA-N 2 1 389.543 3.855 20 0 GHADMP [NH3+][C@H]1CCC[C@@H](Nc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001154988152 1032369250 /nfs/dbraw/zinc/36/92/50/1032369250.db2.gz PODAZHAHMONCTM-LSDHHAIUSA-N 2 1 385.581 3.848 20 0 GHADMP Cc1cc(Cl)cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155357332 1032516408 /nfs/dbraw/zinc/51/64/08/1032516408.db2.gz DUBAMUKRKJVBLC-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP Cc1cc(C(C)C)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155361033 1032518857 /nfs/dbraw/zinc/51/88/57/1032518857.db2.gz IONRXDTZGNIMIV-NRFANRHFSA-N 2 1 393.579 3.822 20 0 GHADMP CC(C)Oc1cc[nH+]c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155363853 1032520305 /nfs/dbraw/zinc/52/03/05/1032520305.db2.gz NONIKYUQMWWMAI-NRFANRHFSA-N 3 1 394.563 3.783 20 0 GHADMP CC(C)Oc1ccnc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155363853 1032520308 /nfs/dbraw/zinc/52/03/08/1032520308.db2.gz NONIKYUQMWWMAI-NRFANRHFSA-N 2 1 394.563 3.783 20 0 GHADMP CC(C)Oc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155363853 1032520313 /nfs/dbraw/zinc/52/03/13/1032520313.db2.gz NONIKYUQMWWMAI-NRFANRHFSA-N 2 1 394.563 3.783 20 0 GHADMP CC(C)c1nccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155365033 1032520915 /nfs/dbraw/zinc/52/09/15/1032520915.db2.gz YZAGHKCCSFPIAG-FQEVSTJZSA-N 2 1 379.552 3.514 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC001221913988 1032571918 /nfs/dbraw/zinc/57/19/18/1032571918.db2.gz YEXBPVMKOPDWDA-PXNSSMCTSA-N 2 1 392.563 3.628 20 0 GHADMP c1ccc(C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C2CCSCC2)cc1 ZINC001236268411 1032592555 /nfs/dbraw/zinc/59/25/55/1032592555.db2.gz CQKARPAPESZXTM-UHFFFAOYSA-N 2 1 381.589 3.994 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001204171242 1032621122 /nfs/dbraw/zinc/62/11/22/1032621122.db2.gz IKJVMVRJVDFIRQ-QHCPKHFHSA-N 2 1 386.580 3.725 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000558492576 1017214412 /nfs/dbraw/zinc/21/44/12/1017214412.db2.gz LHRIFBWASINEHF-QFIPXVFZSA-N 3 1 389.547 3.968 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927289862 1017382308 /nfs/dbraw/zinc/38/23/08/1017382308.db2.gz ISUNXORINXBOKD-ZLHNRXBCSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CC[NH+](CC)CC(C)C)CC1 ZINC001227935570 1032703354 /nfs/dbraw/zinc/70/33/54/1032703354.db2.gz UBCLUMZSUOHBTH-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001227935570 1032703368 /nfs/dbraw/zinc/70/33/68/1032703368.db2.gz UBCLUMZSUOHBTH-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001227935570 1032703384 /nfs/dbraw/zinc/70/33/84/1032703384.db2.gz UBCLUMZSUOHBTH-NRFANRHFSA-N 2 1 380.621 3.650 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)cc1 ZINC001204267688 1032709915 /nfs/dbraw/zinc/70/99/15/1032709915.db2.gz DRWIMWZDFIRSCV-SZPZYZBQSA-N 2 1 397.563 3.564 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001204267688 1032709929 /nfs/dbraw/zinc/70/99/29/1032709929.db2.gz DRWIMWZDFIRSCV-SZPZYZBQSA-N 2 1 397.563 3.564 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001204267688 1032709932 /nfs/dbraw/zinc/70/99/32/1032709932.db2.gz DRWIMWZDFIRSCV-SZPZYZBQSA-N 2 1 397.563 3.564 20 0 GHADMP CC(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204269644 1032713163 /nfs/dbraw/zinc/71/31/63/1032713163.db2.gz IWZSMIDCYJEXLM-IBGZPJMESA-N 2 1 386.540 3.903 20 0 GHADMP Cc1csc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)n1 ZINC001204375894 1032815112 /nfs/dbraw/zinc/81/51/12/1032815112.db2.gz BXRASUJMOVQNCC-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1csc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)n1 ZINC001204375894 1032815122 /nfs/dbraw/zinc/81/51/22/1032815122.db2.gz BXRASUJMOVQNCC-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CCC2 ZINC000571827760 1019715190 /nfs/dbraw/zinc/71/51/90/1019715190.db2.gz SAMZHMPMGIKGRL-QUCCMNQESA-N 2 1 384.593 3.661 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000571921567 1019727766 /nfs/dbraw/zinc/72/77/66/1019727766.db2.gz ZCOKMGCOJKMCLS-HNNXBMFYSA-N 2 1 380.414 3.577 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572166013 1019746729 /nfs/dbraw/zinc/74/67/29/1019746729.db2.gz YCOFUGOTLKNGKW-VQIMIIECSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572166013 1019746744 /nfs/dbraw/zinc/74/67/44/1019746744.db2.gz YCOFUGOTLKNGKW-VQIMIIECSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000575333275 1019933613 /nfs/dbraw/zinc/93/36/13/1019933613.db2.gz FLJNCRZWPMXVBE-XXBNENTESA-N 2 1 377.532 3.848 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000576072682 1019976703 /nfs/dbraw/zinc/97/67/03/1019976703.db2.gz VBMKDMLPLULLNA-UHFFFAOYSA-N 2 1 390.325 3.546 20 0 GHADMP Clc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)s1 ZINC001204442681 1032882825 /nfs/dbraw/zinc/88/28/25/1032882825.db2.gz RGUHIEZHAGRNLJ-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccc4c(c3)C[NH2+]CC4)cc2)C1 ZINC000577471624 1020201972 /nfs/dbraw/zinc/20/19/72/1020201972.db2.gz LXRCBLYIQLENQS-GOSISDBHSA-N 2 1 392.547 3.886 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000601284467 1020332947 /nfs/dbraw/zinc/33/29/47/1020332947.db2.gz QMVSTXSQXXAGCF-CTNGQTDRSA-N 2 1 398.551 3.578 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000601284467 1020332954 /nfs/dbraw/zinc/33/29/54/1020332954.db2.gz QMVSTXSQXXAGCF-CTNGQTDRSA-N 2 1 398.551 3.578 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000628337739 1020693193 /nfs/dbraw/zinc/69/31/93/1020693193.db2.gz PJGYRVBIARALSZ-FQEVSTJZSA-N 2 1 378.438 3.604 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834502503 1021229125 /nfs/dbraw/zinc/22/91/25/1021229125.db2.gz QKULITDUXOQOJF-MOUTVQLLSA-N 2 1 380.532 3.761 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834523502 1021245180 /nfs/dbraw/zinc/24/51/80/1021245180.db2.gz VVPPKWCRTIANOY-RBUKOAKNSA-N 2 1 399.539 3.843 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC001140298315 1021341741 /nfs/dbraw/zinc/34/17/41/1021341741.db2.gz RTZRUGRIRODZEP-CABCVRRESA-N 2 1 392.366 3.956 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC001140298315 1021341759 /nfs/dbraw/zinc/34/17/59/1021341759.db2.gz RTZRUGRIRODZEP-CABCVRRESA-N 2 1 392.366 3.956 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]2C1 ZINC001140298315 1021341776 /nfs/dbraw/zinc/34/17/76/1021341776.db2.gz RTZRUGRIRODZEP-CABCVRRESA-N 2 1 392.366 3.956 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1 ZINC001204642946 1033010013 /nfs/dbraw/zinc/01/00/13/1033010013.db2.gz VLUUJOKKRQQGMW-UHFFFAOYSA-N 2 1 375.472 3.652 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2c1 ZINC001137306511 1021869617 /nfs/dbraw/zinc/86/96/17/1021869617.db2.gz WZIOSQUVCDSYJI-UHFFFAOYSA-N 2 1 389.547 3.914 20 0 GHADMP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000678225710 1021913699 /nfs/dbraw/zinc/91/36/99/1021913699.db2.gz QXYFGKIFLBSBQG-HSZRJFAPSA-N 2 1 396.510 3.721 20 0 GHADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000678225710 1021913705 /nfs/dbraw/zinc/91/37/05/1021913705.db2.gz QXYFGKIFLBSBQG-HSZRJFAPSA-N 2 1 396.510 3.721 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523675 1021915820 /nfs/dbraw/zinc/91/58/20/1021915820.db2.gz SYNAGJAUDPMDNU-PWIZWCRZSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001140523675 1021915827 /nfs/dbraw/zinc/91/58/27/1021915827.db2.gz SYNAGJAUDPMDNU-PWIZWCRZSA-N 2 1 399.560 3.662 20 0 GHADMP C[NH+]1CCC(CC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000680371193 1022148517 /nfs/dbraw/zinc/14/85/17/1022148517.db2.gz VHMBDBQUJRKOIF-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP CC(CNc1nc(N2CCC([NH3+])CC2)cc[nH+]1)(c1ccccc1)c1ccccc1 ZINC001156469118 1033049828 /nfs/dbraw/zinc/04/98/28/1033049828.db2.gz YLCSYBDYGVMHMU-UHFFFAOYSA-N 2 1 387.531 3.822 20 0 GHADMP C[N@@H+](Cc1ccc(N2CCC[C@@H]([NH2+]COCC[Si](C)(C)C)C2)nc1)C1CC1 ZINC001156471596 1033051951 /nfs/dbraw/zinc/05/19/51/1033051951.db2.gz BWDLXJPWMALHOU-LJQANCHMSA-N 2 1 390.648 3.547 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc5cc[nH]cc4-5)CC3)C2)cc1 ZINC001140802705 1022572067 /nfs/dbraw/zinc/57/20/67/1022572067.db2.gz BEDLTNGGQRUMOS-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccc(OC4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001204750882 1033065650 /nfs/dbraw/zinc/06/56/50/1033065650.db2.gz DQAVFXCTPYBYLH-UHFFFAOYSA-N 2 1 394.563 3.651 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1N ZINC001140897758 1022828718 /nfs/dbraw/zinc/82/87/18/1022828718.db2.gz YYWPWYLXSFAEMX-NRFANRHFSA-N 2 1 395.547 3.533 20 0 GHADMP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001138099295 1024077532 /nfs/dbraw/zinc/07/75/32/1024077532.db2.gz QBUNYWXURBLIHS-GIWBLDEGSA-N 2 1 382.552 3.655 20 0 GHADMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001138099295 1024077549 /nfs/dbraw/zinc/07/75/49/1024077549.db2.gz QBUNYWXURBLIHS-GIWBLDEGSA-N 2 1 382.552 3.655 20 0 GHADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001138099295 1024077573 /nfs/dbraw/zinc/07/75/73/1024077573.db2.gz QBUNYWXURBLIHS-GIWBLDEGSA-N 2 1 382.552 3.655 20 0 GHADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001138099295 1024077594 /nfs/dbraw/zinc/07/75/94/1024077594.db2.gz QBUNYWXURBLIHS-GIWBLDEGSA-N 2 1 382.552 3.655 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1F ZINC001141221477 1024178981 /nfs/dbraw/zinc/17/89/81/1024178981.db2.gz MQQMHTOQTKGMDI-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP CCc1ccccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001141227312 1024204740 /nfs/dbraw/zinc/20/47/40/1024204740.db2.gz ZIEFIVASOPXBSN-UHFFFAOYSA-N 2 1 379.548 3.759 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC001141366733 1024735627 /nfs/dbraw/zinc/73/56/27/1024735627.db2.gz ZOIXDDBPJSPIGG-LEWJYISDSA-N 2 1 389.609 3.925 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC001141366736 1024735802 /nfs/dbraw/zinc/73/58/02/1024735802.db2.gz ZOIXDDBPJSPIGG-SFTDATJTSA-N 2 1 389.609 3.925 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)cc1 ZINC001138548588 1024996375 /nfs/dbraw/zinc/99/63/75/1024996375.db2.gz DNRGZCFSEBNRNM-TZIWHRDSSA-N 2 1 393.560 3.734 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)cc1 ZINC001138548588 1024996382 /nfs/dbraw/zinc/99/63/82/1024996382.db2.gz DNRGZCFSEBNRNM-TZIWHRDSSA-N 2 1 393.560 3.734 20 0 GHADMP Cc1nc(CN2CCC3(C[NH+](Cc4ccc(-n5cc[nH+]c5C)cc4)C3)C2)cs1 ZINC001138549734 1024997551 /nfs/dbraw/zinc/99/75/51/1024997551.db2.gz UOKQRPAZKVIXGI-UHFFFAOYSA-N 2 1 393.560 3.654 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(Nc4c[nH+]ccc4N4CCCC4)cc3)CC2)CC1 ZINC001205102469 1033253466 /nfs/dbraw/zinc/25/34/66/1033253466.db2.gz QTWKNQOBXRHEHF-UHFFFAOYSA-N 2 1 377.536 3.662 20 0 GHADMP CCOC(=O)c1coc(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)n1 ZINC001138550178 1024998606 /nfs/dbraw/zinc/99/86/06/1024998606.db2.gz MTYVFMUCNMPCLR-UHFFFAOYSA-N 2 1 394.475 3.725 20 0 GHADMP COc1ccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)nc1 ZINC001138551818 1025006432 /nfs/dbraw/zinc/00/64/32/1025006432.db2.gz NTCGXKLQBPQERI-UHFFFAOYSA-N 2 1 378.476 3.628 20 0 GHADMP COc1ccc2c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c[nH]c2c1 ZINC001138588376 1025071111 /nfs/dbraw/zinc/07/11/11/1025071111.db2.gz ZHUOMJFPJGKYEK-UHFFFAOYSA-N 2 1 395.503 3.637 20 0 GHADMP COc1ccc2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c[nH]c2c1 ZINC001138588376 1025071123 /nfs/dbraw/zinc/07/11/23/1025071123.db2.gz ZHUOMJFPJGKYEK-UHFFFAOYSA-N 2 1 395.503 3.637 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772002 1025341549 /nfs/dbraw/zinc/34/15/49/1025341549.db2.gz LTULAVKSCRGCNM-ZEQRLZLVSA-N 2 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772002 1025341565 /nfs/dbraw/zinc/34/15/65/1025341565.db2.gz LTULAVKSCRGCNM-ZEQRLZLVSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772002 1025341580 /nfs/dbraw/zinc/34/15/80/1025341580.db2.gz LTULAVKSCRGCNM-ZEQRLZLVSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772002 1025341597 /nfs/dbraw/zinc/34/15/97/1025341597.db2.gz LTULAVKSCRGCNM-ZEQRLZLVSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772002 1025341611 /nfs/dbraw/zinc/34/16/11/1025341611.db2.gz LTULAVKSCRGCNM-ZEQRLZLVSA-N 3 1 393.575 3.581 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000838967904 1025485294 /nfs/dbraw/zinc/48/52/94/1025485294.db2.gz FLMOWFNIGCHTIH-RXVVDRJESA-N 2 1 399.579 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000838967904 1025485298 /nfs/dbraw/zinc/48/52/98/1025485298.db2.gz FLMOWFNIGCHTIH-RXVVDRJESA-N 2 1 399.579 3.886 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)o1 ZINC001138902478 1025551779 /nfs/dbraw/zinc/55/17/79/1025551779.db2.gz KAYYEVSYOLBBFR-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)o1 ZINC001138902478 1025551789 /nfs/dbraw/zinc/55/17/89/1025551789.db2.gz KAYYEVSYOLBBFR-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c1C ZINC001141565102 1025564547 /nfs/dbraw/zinc/56/45/47/1025564547.db2.gz TTWNUZXGKWHEAL-OAHLLOKOSA-N 2 1 398.542 3.570 20 0 GHADMP c1[nH+]c2cc(NCCc3ccc4c(c3)OCO4)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001162088723 1025597329 /nfs/dbraw/zinc/59/73/29/1025597329.db2.gz ZOEWNEXXLHYMPL-SFHVURJKSA-N 2 1 378.476 3.734 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccccc2OC)cc1 ZINC001139037165 1025813185 /nfs/dbraw/zinc/81/31/85/1025813185.db2.gz GIWUQBRCERMMQH-UHFFFAOYSA-N 2 1 384.520 3.679 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccccc2OC)cc1 ZINC001139037165 1025813210 /nfs/dbraw/zinc/81/32/10/1025813210.db2.gz GIWUQBRCERMMQH-UHFFFAOYSA-N 2 1 384.520 3.679 20 0 GHADMP CCCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC001461034579 1069349271 /nfs/dbraw/zinc/34/92/71/1069349271.db2.gz JFKXACMQZLOSDP-XMMPIXPASA-N 2 1 381.564 3.944 20 0 GHADMP c1c2ccccc2oc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001139065779 1025862135 /nfs/dbraw/zinc/86/21/35/1025862135.db2.gz KTYSKCFXDWOWER-UHFFFAOYSA-N 2 1 391.515 3.942 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nn3)cc2)C1 ZINC001461045322 1069357130 /nfs/dbraw/zinc/35/71/30/1069357130.db2.gz SHGLGDJGEZREFM-HXUWFJFHSA-N 2 1 389.547 3.848 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(Cc4ccccc4)nn3)cc2)C1 ZINC001461045322 1069357139 /nfs/dbraw/zinc/35/71/39/1069357139.db2.gz SHGLGDJGEZREFM-HXUWFJFHSA-N 2 1 389.547 3.848 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)cn2C ZINC001139150461 1025969262 /nfs/dbraw/zinc/96/92/62/1025969262.db2.gz LUWUQSKGBVHIKV-WOJBJXKFSA-N 2 1 375.516 3.751 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc(C4COC4)c3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162934462 1025972356 /nfs/dbraw/zinc/97/23/56/1025972356.db2.gz MAHUKTRJPHOBJW-HSZRJFAPSA-N 2 1 391.559 3.714 20 0 GHADMP FC(F)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001162940708 1025977449 /nfs/dbraw/zinc/97/74/49/1025977449.db2.gz KTVOERFVJFCFOM-IBGZPJMESA-N 2 1 386.490 3.933 20 0 GHADMP CC(C)([NH3+])c1ccccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941222 1025977478 /nfs/dbraw/zinc/97/74/78/1025977478.db2.gz RVVWZIXKDCTNAO-NRFANRHFSA-N 3 1 392.591 3.794 20 0 GHADMP Cc1nc2[nH]ccc2cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940566 1025977613 /nfs/dbraw/zinc/97/76/13/1025977613.db2.gz HMYATGUIKSOVRI-NRFANRHFSA-N 2 1 389.547 3.737 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc4c3OCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940777 1025977869 /nfs/dbraw/zinc/97/78/69/1025977869.db2.gz MIXHIPWWYNTICP-OAQYLSRUSA-N 2 1 377.532 3.535 20 0 GHADMP COc1c(C)cccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940600 1025978026 /nfs/dbraw/zinc/97/80/26/1025978026.db2.gz IDWHAMFKBLFIKT-NRFANRHFSA-N 2 1 379.548 3.917 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2C1 ZINC001461053740 1069364286 /nfs/dbraw/zinc/36/42/86/1069364286.db2.gz WSNUDJWRPXGMBS-RTWAWAEBSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2C1 ZINC001461053740 1069364289 /nfs/dbraw/zinc/36/42/89/1069364289.db2.gz WSNUDJWRPXGMBS-RTWAWAEBSA-N 2 1 385.552 3.696 20 0 GHADMP COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000839600831 1026099992 /nfs/dbraw/zinc/09/99/92/1026099992.db2.gz HWPDXQIKHSOYDC-IBGZPJMESA-N 2 1 384.442 3.600 20 0 GHADMP COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000839600831 1026100009 /nfs/dbraw/zinc/10/00/09/1026100009.db2.gz HWPDXQIKHSOYDC-IBGZPJMESA-N 2 1 384.442 3.600 20 0 GHADMP c1ccc(C[N@@H+]2Cc3ccc(NC[C@H]4CO[C@@]5(C4)CCC[NH2+]C5)cc3C2)cc1 ZINC001163290551 1026127906 /nfs/dbraw/zinc/12/79/06/1026127906.db2.gz JGOABCHKQFHQKT-GBXCKJPGSA-N 2 1 377.532 3.773 20 0 GHADMP CC[NH+](CC)Cc1c(Br)cccc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163333690 1026149767 /nfs/dbraw/zinc/14/97/67/1026149767.db2.gz SYDLLSJWDYVAEJ-KXBFYZLASA-N 2 1 396.373 3.614 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001139361787 1026236106 /nfs/dbraw/zinc/23/61/06/1026236106.db2.gz PYIFALKWWCGUKK-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001139361787 1026236120 /nfs/dbraw/zinc/23/61/20/1026236120.db2.gz PYIFALKWWCGUKK-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001139361787 1026236135 /nfs/dbraw/zinc/23/61/35/1026236135.db2.gz PYIFALKWWCGUKK-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)C[C@H](C)O1 ZINC001139380234 1026248644 /nfs/dbraw/zinc/24/86/44/1026248644.db2.gz JDUOCVHWGURULR-RZUBCFFCSA-N 2 1 386.584 3.536 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)C[C@H](C)O1 ZINC001139380234 1026248656 /nfs/dbraw/zinc/24/86/56/1026248656.db2.gz JDUOCVHWGURULR-RZUBCFFCSA-N 2 1 386.584 3.536 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cn2)C[C@H](C)O1 ZINC001139380236 1026248791 /nfs/dbraw/zinc/24/87/91/1026248791.db2.gz JDUOCVHWGURULR-VWPQPMDRSA-N 2 1 386.584 3.536 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cn2)C[C@H](C)O1 ZINC001139380236 1026248803 /nfs/dbraw/zinc/24/88/03/1026248803.db2.gz JDUOCVHWGURULR-VWPQPMDRSA-N 2 1 386.584 3.536 20 0 GHADMP CN(CC[NH3+])c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC001163690499 1026284954 /nfs/dbraw/zinc/28/49/54/1026284954.db2.gz RNMQZEDEQAXESL-UHFFFAOYSA-N 2 1 387.578 3.801 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498523 1026356403 /nfs/dbraw/zinc/35/64/03/1026356403.db2.gz NQGOETMIDTVUMU-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498523 1026356415 /nfs/dbraw/zinc/35/64/15/1026356415.db2.gz NQGOETMIDTVUMU-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498523 1026356426 /nfs/dbraw/zinc/35/64/26/1026356426.db2.gz NQGOETMIDTVUMU-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498523 1026356433 /nfs/dbraw/zinc/35/64/33/1026356433.db2.gz NQGOETMIDTVUMU-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498523 1026356448 /nfs/dbraw/zinc/35/64/48/1026356448.db2.gz NQGOETMIDTVUMU-GMAHTHKFSA-N 2 1 397.588 3.990 20 0 GHADMP OCC[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139513353 1026368787 /nfs/dbraw/zinc/36/87/87/1026368787.db2.gz QGJBJHXTGGMNCZ-QHCPKHFHSA-N 2 1 393.575 3.603 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@@]4(CCCO4)C3)CC2)cc1 ZINC001139514522 1026370423 /nfs/dbraw/zinc/37/04/23/1026370423.db2.gz MLAUXBYJTCNEQZ-VWLOTQADSA-N 2 1 391.559 3.764 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cnc1Cl ZINC001139542492 1026404321 /nfs/dbraw/zinc/40/43/21/1026404321.db2.gz GDELMELVSGLPJY-UHFFFAOYSA-N 2 1 375.900 3.503 20 0 GHADMP C[N@@H+](Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001139584012 1026447243 /nfs/dbraw/zinc/44/72/43/1026447243.db2.gz BTEHMDNJCNTUKD-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP C[N@H+](Cc1c(Cl)ccnc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001139584012 1026447247 /nfs/dbraw/zinc/44/72/47/1026447247.db2.gz BTEHMDNJCNTUKD-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP CCOc1ccc(C)cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139603777 1026467195 /nfs/dbraw/zinc/46/71/95/1026467195.db2.gz IXXZFLQGKTWGBY-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C)cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139603777 1026467200 /nfs/dbraw/zinc/46/72/00/1026467200.db2.gz IXXZFLQGKTWGBY-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C)cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001139603777 1026467203 /nfs/dbraw/zinc/46/72/03/1026467203.db2.gz IXXZFLQGKTWGBY-ZJSXRUAMSA-N 2 1 395.547 3.512 20 0 GHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656066 1026516943 /nfs/dbraw/zinc/51/69/43/1026516943.db2.gz NAEWUEBKYFCVDM-NRFANRHFSA-N 2 1 391.581 3.569 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656066 1026516952 /nfs/dbraw/zinc/51/69/52/1026516952.db2.gz NAEWUEBKYFCVDM-NRFANRHFSA-N 2 1 391.581 3.569 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656066 1026516958 /nfs/dbraw/zinc/51/69/58/1026516958.db2.gz NAEWUEBKYFCVDM-NRFANRHFSA-N 2 1 391.581 3.569 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656066 1026516962 /nfs/dbraw/zinc/51/69/62/1026516962.db2.gz NAEWUEBKYFCVDM-NRFANRHFSA-N 2 1 391.581 3.569 20 0 GHADMP COc1ncc(Cl)cc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001139748476 1026586910 /nfs/dbraw/zinc/58/69/10/1026586910.db2.gz RTDUCJBWMCUPIN-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COc1ncc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001139748476 1026586919 /nfs/dbraw/zinc/58/69/19/1026586919.db2.gz RTDUCJBWMCUPIN-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP Oc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(Cl)c1 ZINC001140086075 1026863867 /nfs/dbraw/zinc/86/38/67/1026863867.db2.gz KFJLYIHEZSJXKQ-UHFFFAOYSA-N 2 1 386.923 3.913 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC001140217519 1026994554 /nfs/dbraw/zinc/99/45/54/1026994554.db2.gz NSNAZVORRQALTG-RXVVDRJESA-N 2 1 391.987 3.899 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140217556 1026994569 /nfs/dbraw/zinc/99/45/69/1026994569.db2.gz ONMWXQQJLPJHHX-IRLDBZIGSA-N 2 1 399.966 3.766 20 0 GHADMP C[NH+](C)C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1 ZINC001140217555 1026994630 /nfs/dbraw/zinc/99/46/30/1026994630.db2.gz ONMWXQQJLPJHHX-IFMALSPDSA-N 2 1 399.966 3.766 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc2c1OCO2 ZINC001209712343 1027110732 /nfs/dbraw/zinc/11/07/32/1027110732.db2.gz NJKSLOSAKLWCCC-NRFANRHFSA-N 2 1 398.503 3.894 20 0 GHADMP [NH3+]CCN(Cc1ccc(Cl)cc1Cl)c1cc[nH+]c(N2CCCCC2)n1 ZINC001166911099 1027149713 /nfs/dbraw/zinc/14/97/13/1027149713.db2.gz TYTONLQLLSGNHM-UHFFFAOYSA-N 2 1 380.323 3.739 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)o1 ZINC001141783832 1027265055 /nfs/dbraw/zinc/26/50/55/1027265055.db2.gz FMOKYELPOBKWMD-NRFANRHFSA-N 2 1 386.492 3.812 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C(F)(F)F ZINC001461233586 1069455393 /nfs/dbraw/zinc/45/53/93/1069455393.db2.gz NKDVZYFSMXQNAG-TZIWHRDSSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccc1C(F)(F)F ZINC001461233586 1069455394 /nfs/dbraw/zinc/45/53/94/1069455394.db2.gz NKDVZYFSMXQNAG-TZIWHRDSSA-N 2 1 392.465 3.986 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001141927367 1027681221 /nfs/dbraw/zinc/68/12/21/1027681221.db2.gz TUHKVSFKGJPQOI-FQEVSTJZSA-N 2 1 375.532 3.559 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001141927367 1027681226 /nfs/dbraw/zinc/68/12/26/1027681226.db2.gz TUHKVSFKGJPQOI-FQEVSTJZSA-N 2 1 375.532 3.559 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC001210898940 1027700469 /nfs/dbraw/zinc/70/04/69/1027700469.db2.gz SZMWPHRIIGEOQO-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC001204001504 1027799916 /nfs/dbraw/zinc/79/99/16/1027799916.db2.gz XIEFFVXVBBVTBV-SGNDLWITSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC001204001504 1027799933 /nfs/dbraw/zinc/79/99/33/1027799933.db2.gz XIEFFVXVBBVTBV-SGNDLWITSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC001204001504 1027799945 /nfs/dbraw/zinc/79/99/45/1027799945.db2.gz XIEFFVXVBBVTBV-SGNDLWITSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC001204001504 1027799963 /nfs/dbraw/zinc/79/99/63/1027799963.db2.gz XIEFFVXVBBVTBV-SGNDLWITSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3)CC[C@@H]21 ZINC001204001504 1027799979 /nfs/dbraw/zinc/79/99/79/1027799979.db2.gz XIEFFVXVBBVTBV-SGNDLWITSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001211244141 1027854360 /nfs/dbraw/zinc/85/43/60/1027854360.db2.gz DIMKPVAWYTYPQZ-WOJBJXKFSA-N 2 1 380.621 3.553 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000840864188 1027900542 /nfs/dbraw/zinc/90/05/42/1027900542.db2.gz GWUNULJGGSZLEX-XXBNENTESA-N 2 1 395.547 3.792 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001142171982 1028296883 /nfs/dbraw/zinc/29/68/83/1028296883.db2.gz SOIKPXPCNSVPMR-RTWAWAEBSA-N 2 1 381.568 3.604 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001142171982 1028296899 /nfs/dbraw/zinc/29/68/99/1028296899.db2.gz SOIKPXPCNSVPMR-RTWAWAEBSA-N 2 1 381.568 3.604 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001142171982 1028296917 /nfs/dbraw/zinc/29/69/17/1028296917.db2.gz SOIKPXPCNSVPMR-RTWAWAEBSA-N 2 1 381.568 3.604 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001142171982 1028296937 /nfs/dbraw/zinc/29/69/37/1028296937.db2.gz SOIKPXPCNSVPMR-RTWAWAEBSA-N 2 1 381.568 3.604 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001142171982 1028296952 /nfs/dbraw/zinc/29/69/52/1028296952.db2.gz SOIKPXPCNSVPMR-RTWAWAEBSA-N 2 1 381.568 3.604 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000841432353 1028619275 /nfs/dbraw/zinc/61/92/75/1028619275.db2.gz PKFHVMNVGZZVLK-VWNXMTODSA-N 2 1 379.548 3.708 20 0 GHADMP Cc1ccc2ccccc2c1C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001142380523 1028788132 /nfs/dbraw/zinc/78/81/32/1028788132.db2.gz UJXBKQZMEFATDX-UHFFFAOYSA-N 2 1 392.547 3.829 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001142556398 1029056173 /nfs/dbraw/zinc/05/61/73/1029056173.db2.gz KQYGONPZZPOKPM-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001142556398 1029056186 /nfs/dbraw/zinc/05/61/86/1029056186.db2.gz KQYGONPZZPOKPM-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001142556398 1029056203 /nfs/dbraw/zinc/05/62/03/1029056203.db2.gz KQYGONPZZPOKPM-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP C[N@H+]1Cc2c(NC(=O)[C@H]3CC4CC[NH+]3CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001142632826 1029185773 /nfs/dbraw/zinc/18/57/73/1029185773.db2.gz IEHCYDIJZHENKY-NFBKMPQASA-N 2 1 375.516 3.687 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H]3CC4CC[NH+]3CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001142632826 1029185781 /nfs/dbraw/zinc/18/57/81/1029185781.db2.gz IEHCYDIJZHENKY-NFBKMPQASA-N 2 1 375.516 3.687 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)C1 ZINC000842677917 1029484388 /nfs/dbraw/zinc/48/43/88/1029484388.db2.gz MHCLJVSLOCJEPV-FUMNGEBKSA-N 2 1 379.589 3.732 20 0 GHADMP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842699093 1029508069 /nfs/dbraw/zinc/50/80/69/1029508069.db2.gz HYCWRPYIPAPVNF-GHTZIAJQSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842699093 1029508083 /nfs/dbraw/zinc/50/80/83/1029508083.db2.gz HYCWRPYIPAPVNF-GHTZIAJQSA-N 2 1 385.552 3.640 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842922699 1029686868 /nfs/dbraw/zinc/68/68/68/1029686868.db2.gz CBXHJFMDXSOZTN-PBASOCQRSA-N 2 1 387.568 3.567 20 0 GHADMP C[C@H](C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC000842922295 1029687036 /nfs/dbraw/zinc/68/70/36/1029687036.db2.gz VUCCKWUXYMWVKC-CUDHKJQZSA-N 2 1 375.557 3.613 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(C)c1 ZINC001142938574 1029718897 /nfs/dbraw/zinc/71/88/97/1029718897.db2.gz NVKPUOSIRQNHNK-UHFFFAOYSA-N 2 1 382.552 3.553 20 0 GHADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc(Br)c1OC(F)F ZINC000843055617 1029789440 /nfs/dbraw/zinc/78/94/40/1029789440.db2.gz HVUKQJAJNJGYFL-UHFFFAOYSA-N 2 1 393.272 3.761 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000843096087 1029804224 /nfs/dbraw/zinc/80/42/24/1029804224.db2.gz RCWGWNBYTDOWLJ-DHLKQENFSA-N 2 1 390.527 3.620 20 0 GHADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 ZINC000843353194 1029932225 /nfs/dbraw/zinc/93/22/25/1029932225.db2.gz URLYNKAAAHBKDG-UHFFFAOYSA-N 2 1 395.503 3.855 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1OC ZINC000843364042 1029941063 /nfs/dbraw/zinc/94/10/63/1029941063.db2.gz MFOZUDDIFFDNKQ-UHFFFAOYSA-N 2 1 387.549 3.793 20 0 GHADMP O=c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)[nH]c2sc(-c3ccccc3)cc21 ZINC000843364475 1029942789 /nfs/dbraw/zinc/94/27/89/1029942789.db2.gz DJIUSFJOHFEPLO-UHFFFAOYSA-N 2 1 380.517 3.639 20 0 GHADMP O=c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)[nH]c2sc(-c3ccccc3)cc21 ZINC000843364475 1029942792 /nfs/dbraw/zinc/94/27/92/1029942792.db2.gz DJIUSFJOHFEPLO-UHFFFAOYSA-N 2 1 380.517 3.639 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407629 1029980177 /nfs/dbraw/zinc/98/01/77/1029980177.db2.gz VMWYKBOZCZPQQG-AQKVLALTSA-N 2 1 385.552 3.854 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407629 1029980181 /nfs/dbraw/zinc/98/01/81/1029980181.db2.gz VMWYKBOZCZPQQG-AQKVLALTSA-N 2 1 385.552 3.854 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(-c3ccc(C)o3)cc1)CC[NH2+]CC2 ZINC001222226316 1030020696 /nfs/dbraw/zinc/02/06/96/1030020696.db2.gz QNNIZYVSRBTDGW-HXUWFJFHSA-N 2 1 382.504 3.762 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1OCCCOC ZINC001222315404 1030066688 /nfs/dbraw/zinc/06/66/88/1030066688.db2.gz NESOJLYJXXULDT-JOCHJYFZSA-N 2 1 376.541 3.609 20 0 GHADMP Cc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c(OCc2ccccc2)c1 ZINC001222408077 1030113255 /nfs/dbraw/zinc/11/32/55/1030113255.db2.gz XNARRUFCSAJCEH-UHFFFAOYSA-N 2 1 380.532 3.776 20 0 GHADMP CC1(C)C[C@H](C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CCO1 ZINC001222576211 1030208127 /nfs/dbraw/zinc/20/81/27/1030208127.db2.gz RWYPQIQYQHSSBC-FGZHOGPDSA-N 2 1 386.580 3.995 20 0 GHADMP COc1c(O)cccc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590935 1030218186 /nfs/dbraw/zinc/21/81/86/1030218186.db2.gz PGGSGABOOAORFR-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP COc1c(O)cccc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590935 1030218201 /nfs/dbraw/zinc/21/82/01/1030218201.db2.gz PGGSGABOOAORFR-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001222595729 1030221581 /nfs/dbraw/zinc/22/15/81/1030221581.db2.gz HTLLGWVLNBOFJU-DEOSSOPVSA-N 3 1 375.560 3.588 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OCC1CC1 ZINC001222602417 1030228792 /nfs/dbraw/zinc/22/87/92/1030228792.db2.gz PTXSAKBZZRLXIW-NRFANRHFSA-N 2 1 378.516 3.673 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OCC1CC1 ZINC001222602417 1030228806 /nfs/dbraw/zinc/22/88/06/1030228806.db2.gz PTXSAKBZZRLXIW-NRFANRHFSA-N 2 1 378.516 3.673 20 0 GHADMP CN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150431128 1030527919 /nfs/dbraw/zinc/52/79/19/1030527919.db2.gz JRXKHMCNVFULDY-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150431128 1030527929 /nfs/dbraw/zinc/52/79/29/1030527929.db2.gz JRXKHMCNVFULDY-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150431128 1030527953 /nfs/dbraw/zinc/52/79/53/1030527953.db2.gz JRXKHMCNVFULDY-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccccc1Cl ZINC001223453186 1030580239 /nfs/dbraw/zinc/58/02/39/1030580239.db2.gz IKBVZJUWOVLCLT-VQIMIIECSA-N 2 1 382.980 3.751 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217846939 1030662218 /nfs/dbraw/zinc/66/22/18/1030662218.db2.gz DKIFZKWOJAKAQS-FGZHOGPDSA-N 2 1 386.580 3.853 20 0 GHADMP CC(C)C[C@@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001223831606 1030773030 /nfs/dbraw/zinc/77/30/30/1030773030.db2.gz NKVSKITWNMNZBV-BAGYTPMASA-N 2 1 388.600 3.734 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001218249686 1030851292 /nfs/dbraw/zinc/85/12/92/1030851292.db2.gz YTQIJXAAXRLZBE-XMMPIXPASA-N 2 1 393.575 3.771 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[C@@H]4C[NH2+]C[C@@H]24)c1-3 ZINC001218469988 1030951045 /nfs/dbraw/zinc/95/10/45/1030951045.db2.gz YVGSNDNHUQHJNU-XLBJILASSA-N 2 1 376.500 3.521 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccccc1 ZINC001218533574 1030976296 /nfs/dbraw/zinc/97/62/96/1030976296.db2.gz PTFSKSXTJANAAI-QFBILLFUSA-N 2 1 386.565 3.761 20 0 GHADMP CCC[NH+]1C[C@H]2CN(C(=O)c3cccc4c3C[N@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001151812679 1031009485 /nfs/dbraw/zinc/00/94/85/1031009485.db2.gz GMVYJBXHISKBGW-VXKWHMMOSA-N 2 1 389.543 3.616 20 0 GHADMP CCC[NH+]1C[C@H]2CN(C(=O)c3cccc4c3C[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001151812679 1031009509 /nfs/dbraw/zinc/00/95/09/1031009509.db2.gz GMVYJBXHISKBGW-VXKWHMMOSA-N 2 1 389.543 3.616 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001152023438 1031078648 /nfs/dbraw/zinc/07/86/48/1031078648.db2.gz KVPVXUHOXUQUGB-RDPSFJRHSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC001152023438 1031078656 /nfs/dbraw/zinc/07/86/56/1031078656.db2.gz KVPVXUHOXUQUGB-RDPSFJRHSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001152023438 1031078671 /nfs/dbraw/zinc/07/86/71/1031078671.db2.gz KVPVXUHOXUQUGB-RDPSFJRHSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001152023438 1031078687 /nfs/dbraw/zinc/07/86/87/1031078687.db2.gz KVPVXUHOXUQUGB-RDPSFJRHSA-N 2 1 391.559 3.604 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001152051977 1031089034 /nfs/dbraw/zinc/08/90/34/1031089034.db2.gz BKMZEYJPKVAQJK-PKTZIBPZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001152051977 1031089055 /nfs/dbraw/zinc/08/90/55/1031089055.db2.gz BKMZEYJPKVAQJK-PKTZIBPZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001152051977 1031089074 /nfs/dbraw/zinc/08/90/74/1031089074.db2.gz BKMZEYJPKVAQJK-PKTZIBPZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001152051977 1031089092 /nfs/dbraw/zinc/08/90/92/1031089092.db2.gz BKMZEYJPKVAQJK-PKTZIBPZSA-N 2 1 383.580 3.954 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001224845867 1031147088 /nfs/dbraw/zinc/14/70/88/1031147088.db2.gz QKPIMVMGAXFLPB-SFHLNBCPSA-N 2 1 392.632 3.839 20 0 GHADMP c1ccc(CC[NH+]2CCC(OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)cc1 ZINC001224962851 1031194317 /nfs/dbraw/zinc/19/43/17/1031194317.db2.gz YQWBRZOCQTXVHB-RUZDIDTESA-N 2 1 394.559 3.611 20 0 GHADMP c1ccc(CC[NH+]2CCC(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)cc1 ZINC001224962851 1031194332 /nfs/dbraw/zinc/19/43/32/1031194332.db2.gz YQWBRZOCQTXVHB-RUZDIDTESA-N 2 1 394.559 3.611 20 0 GHADMP c1ccc(CC[NH+]2CCC(OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)cc1 ZINC001224962852 1031194540 /nfs/dbraw/zinc/19/45/40/1031194540.db2.gz YQWBRZOCQTXVHB-VWLOTQADSA-N 2 1 394.559 3.611 20 0 GHADMP c1ccc(CC[NH+]2CCC(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)cc1 ZINC001224962852 1031194547 /nfs/dbraw/zinc/19/45/47/1031194547.db2.gz YQWBRZOCQTXVHB-VWLOTQADSA-N 2 1 394.559 3.611 20 0 GHADMP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001218996747 1031202315 /nfs/dbraw/zinc/20/23/15/1031202315.db2.gz NWYGNIFZAVEQBU-MMPATGFWSA-N 2 1 375.516 3.757 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001219712481 1031573825 /nfs/dbraw/zinc/57/38/25/1031573825.db2.gz YOAGOKPIHSGPGG-UHFFFAOYSA-N 2 1 375.542 3.585 20 0 GHADMP CC(C)(CC1CCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728625 1031580626 /nfs/dbraw/zinc/58/06/26/1031580626.db2.gz CMRDSVDIAIQBBU-JOCHJYFZSA-N 2 1 397.607 3.821 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001219940988 1031707880 /nfs/dbraw/zinc/70/78/80/1031707880.db2.gz KBQCMPNAIUHPFT-QPTUXGOLSA-N 2 1 391.559 3.756 20 0 GHADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1 ZINC001219940874 1031708515 /nfs/dbraw/zinc/70/85/15/1031708515.db2.gz HHKDXUPRRRDLAB-GBXCKJPGSA-N 2 1 387.527 3.868 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001226014189 1031742536 /nfs/dbraw/zinc/74/25/36/1031742536.db2.gz XGVKMFZLAQEZLA-UHFFFAOYSA-N 2 1 386.584 3.605 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC001220634467 1032034130 /nfs/dbraw/zinc/03/41/30/1032034130.db2.gz WWGXZEGWZCXCLD-SIKLNZKXSA-N 2 1 388.600 3.519 20 0 GHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001205273148 1033334677 /nfs/dbraw/zinc/33/46/77/1033334677.db2.gz GBZKYYGBFPHAHG-RUZDIDTESA-N 3 1 392.591 3.712 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)[NH+](CC)CC)cc1 ZINC001229303318 1033404108 /nfs/dbraw/zinc/40/41/08/1033404108.db2.gz PPTOSNHPOXTEPA-IPJJNNNSSA-N 2 1 388.600 3.756 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)[NH+](CC)CC)cc1 ZINC001229303807 1033404490 /nfs/dbraw/zinc/40/44/90/1033404490.db2.gz UZKHKZDHYCQLCY-FCHUYYIVSA-N 2 1 388.600 3.758 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)CC[C@H]1C[NH3+] ZINC001205618153 1033495487 /nfs/dbraw/zinc/49/54/87/1033495487.db2.gz SDFZLAMNKRUFJB-STQMWFEESA-N 2 1 386.487 3.974 20 0 GHADMP C[C@H]1CC[N@H+](Cc2cc(Br)c(Br)o2)CC[C@@H]1C[NH3+] ZINC001205618516 1033496166 /nfs/dbraw/zinc/49/61/66/1033496166.db2.gz WSEXURLLXBXLGY-VHSXEESVSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(Br)c(Br)o2)CC[C@@H]1C[NH3+] ZINC001205618516 1033496176 /nfs/dbraw/zinc/49/61/76/1033496176.db2.gz WSEXURLLXBXLGY-VHSXEESVSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC[C@H]1C[NH3+] ZINC001205651474 1033511936 /nfs/dbraw/zinc/51/19/36/1033511936.db2.gz FMTQRMVTVZNJCB-PXNSSMCTSA-N 2 1 382.504 3.801 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205764145 1033563412 /nfs/dbraw/zinc/56/34/12/1033563412.db2.gz UIDMPOIMRXTELX-QGZVFWFLSA-N 2 1 375.463 3.879 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc2)cc1 ZINC001205764145 1033563417 /nfs/dbraw/zinc/56/34/17/1033563417.db2.gz UIDMPOIMRXTELX-QGZVFWFLSA-N 2 1 375.463 3.879 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(OCc2ccccc2)c1OC ZINC001205912535 1033632671 /nfs/dbraw/zinc/63/26/71/1033632671.db2.gz AYNYAMLBROWTIN-PXNSSMCTSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(OCc2ccccc2)c1OC ZINC001205912535 1033632681 /nfs/dbraw/zinc/63/26/81/1033632681.db2.gz AYNYAMLBROWTIN-PXNSSMCTSA-N 2 1 384.520 3.842 20 0 GHADMP CCC(=O)C1(c2cccc(O[C@@H]3[C@@H]4CCC[C@H]3C[N@H+](C)C4)c2)CC[NH+](C)CC1 ZINC001229736842 1033676053 /nfs/dbraw/zinc/67/60/53/1033676053.db2.gz ISUAKANSMQLEPO-BBIADKPPSA-N 2 1 384.564 3.738 20 0 GHADMP CC(C)[N@@H+](Cc1cc(F)cc(I)c1)[C@H]1CCC[NH2+]CC1 ZINC001206598817 1033919201 /nfs/dbraw/zinc/91/92/01/1033919201.db2.gz MVIIJMPCTSFAAY-INIZCTEOSA-N 2 1 390.284 3.783 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599160 1033920917 /nfs/dbraw/zinc/92/09/17/1033920917.db2.gz PJPGSYGEJLMCSG-HNNXBMFYSA-N 2 1 385.346 3.819 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206599160 1033920922 /nfs/dbraw/zinc/92/09/22/1033920922.db2.gz PJPGSYGEJLMCSG-HNNXBMFYSA-N 2 1 385.346 3.819 20 0 GHADMP c1nc2ccccc2n1C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206734762 1033962965 /nfs/dbraw/zinc/96/29/65/1033962965.db2.gz FHADUZUFRXPGRX-UHFFFAOYSA-N 2 1 390.531 3.706 20 0 GHADMP Cc1nc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)cs1 ZINC001206798160 1033987371 /nfs/dbraw/zinc/98/73/71/1033987371.db2.gz KWFJSOCCZUNXSL-KRWDZBQOSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1nc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)cs1 ZINC001206798160 1033987381 /nfs/dbraw/zinc/98/73/81/1033987381.db2.gz KWFJSOCCZUNXSL-KRWDZBQOSA-N 2 1 377.579 3.769 20 0 GHADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)COCc1ccccc1 ZINC001206990960 1034044777 /nfs/dbraw/zinc/04/47/77/1034044777.db2.gz JQBPWGOLBFQGQR-ICDZXHCJSA-N 2 1 394.559 3.912 20 0 GHADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)COCc1ccccc1 ZINC001206990960 1034044792 /nfs/dbraw/zinc/04/47/92/1034044792.db2.gz JQBPWGOLBFQGQR-ICDZXHCJSA-N 2 1 394.559 3.912 20 0 GHADMP Cc1noc(C)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001207134590 1034117983 /nfs/dbraw/zinc/11/79/83/1034117983.db2.gz PZBQTIXKXCGRBJ-KRWDZBQOSA-N 2 1 375.538 3.608 20 0 GHADMP CC(C)n1nccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001207172150 1034142256 /nfs/dbraw/zinc/14/22/56/1034142256.db2.gz YYLAHDBRJPVLSC-IBGZPJMESA-N 2 1 388.581 3.781 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193371 1034163373 /nfs/dbraw/zinc/16/33/73/1034163373.db2.gz ACPLLICHWUAHRB-VQTJNVASSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193371 1034163383 /nfs/dbraw/zinc/16/33/83/1034163383.db2.gz ACPLLICHWUAHRB-VQTJNVASSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001207193371 1034163387 /nfs/dbraw/zinc/16/33/87/1034163387.db2.gz ACPLLICHWUAHRB-VQTJNVASSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@]1(C[NH3+])CCCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001158684249 1034229472 /nfs/dbraw/zinc/22/94/72/1034229472.db2.gz MURVSIGLVQNVAS-JOCHJYFZSA-N 2 1 399.608 3.731 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158681767 1034229514 /nfs/dbraw/zinc/22/95/14/1034229514.db2.gz ANIASZDZBQWJNH-HXUWFJFHSA-N 2 1 375.586 3.715 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@@H](C)O)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001207287647 1034238950 /nfs/dbraw/zinc/23/89/50/1034238950.db2.gz VLLZTBLTVDMSDE-OAQYLSRUSA-N 2 1 396.575 3.833 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)CC2)cc1 ZINC001207289616 1034240450 /nfs/dbraw/zinc/24/04/50/1034240450.db2.gz TVOVRCWFOBEGRK-RPBOFIJWSA-N 2 1 390.575 3.642 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207294796 1034248285 /nfs/dbraw/zinc/24/82/85/1034248285.db2.gz UPPNZFMZJPXHPJ-VXKWHMMOSA-N 2 1 399.579 3.982 20 0 GHADMP C[NH+]1CCC(C[N@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001207393529 1034339370 /nfs/dbraw/zinc/33/93/70/1034339370.db2.gz BQYITULCZHNZEN-OAQYLSRUSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001207395793 1034339999 /nfs/dbraw/zinc/33/99/99/1034339999.db2.gz XRIROBJKRHOXST-WOJBJXKFSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+]1CCC(CC[N@@H+](C2CCC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207488677 1034394329 /nfs/dbraw/zinc/39/43/29/1034394329.db2.gz OEKRVIXVMOGMNR-HXUWFJFHSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)c1ccc(CC[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1 ZINC001207520709 1034424686 /nfs/dbraw/zinc/42/46/86/1034424686.db2.gz JHHHXPCDHBNAOB-UHFFFAOYSA-N 2 1 384.568 3.533 20 0 GHADMP Cc1cccc(CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001207536292 1034441115 /nfs/dbraw/zinc/44/11/15/1034441115.db2.gz DZNQOEGDLMRCBM-SGNDLWITSA-N 2 1 378.564 3.609 20 0 GHADMP Cc1cccc(CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001207536292 1034441118 /nfs/dbraw/zinc/44/11/18/1034441118.db2.gz DZNQOEGDLMRCBM-SGNDLWITSA-N 2 1 378.564 3.609 20 0 GHADMP Cc1cccc(CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001207536292 1034441128 /nfs/dbraw/zinc/44/11/28/1034441128.db2.gz DZNQOEGDLMRCBM-SGNDLWITSA-N 2 1 378.564 3.609 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001207548443 1034445772 /nfs/dbraw/zinc/44/57/72/1034445772.db2.gz YRCXUMIOWSIOSE-AWEZNQCLSA-N 2 1 389.569 3.742 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(I)s3)C[C@@H]2C1 ZINC001207783206 1034574494 /nfs/dbraw/zinc/57/44/94/1034574494.db2.gz BXFBXKBOVYSMNK-FRRDWIJNSA-N 2 1 390.334 3.515 20 0 GHADMP C[C@H](C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2)c1ccccc1 ZINC001207904843 1034646434 /nfs/dbraw/zinc/64/64/34/1034646434.db2.gz GYPOYIVRJSNLGE-OAQYLSRUSA-N 2 1 379.548 3.800 20 0 GHADMP COCCCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231504720 1034648422 /nfs/dbraw/zinc/64/84/22/1034648422.db2.gz BASRPCIEIHOVDF-BGYRXZFFSA-N 2 1 386.561 3.727 20 0 GHADMP COCCCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231504720 1034648433 /nfs/dbraw/zinc/64/84/33/1034648433.db2.gz BASRPCIEIHOVDF-BGYRXZFFSA-N 2 1 386.561 3.727 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231504720 1034648442 /nfs/dbraw/zinc/64/84/42/1034648442.db2.gz BASRPCIEIHOVDF-BGYRXZFFSA-N 2 1 386.561 3.727 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231504720 1034648453 /nfs/dbraw/zinc/64/84/53/1034648453.db2.gz BASRPCIEIHOVDF-BGYRXZFFSA-N 2 1 386.561 3.727 20 0 GHADMP COCCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1OC ZINC001231544086 1034696871 /nfs/dbraw/zinc/69/68/71/1034696871.db2.gz MXGPHNGJGGKIEC-LEWJYISDSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc1OC ZINC001231544086 1034696878 /nfs/dbraw/zinc/69/68/78/1034696878.db2.gz MXGPHNGJGGKIEC-LEWJYISDSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC001231544086 1034696884 /nfs/dbraw/zinc/69/68/84/1034696884.db2.gz MXGPHNGJGGKIEC-LEWJYISDSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1ccc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc1OC ZINC001231544086 1034696889 /nfs/dbraw/zinc/69/68/89/1034696889.db2.gz MXGPHNGJGGKIEC-LEWJYISDSA-N 2 1 390.568 3.949 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001208108571 1034739311 /nfs/dbraw/zinc/73/93/11/1034739311.db2.gz VYRUSDOXGRNNJM-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001159848535 1034762783 /nfs/dbraw/zinc/76/27/83/1034762783.db2.gz VVTAXEGLVJKRIB-QFIPXVFZSA-N 2 1 381.520 3.849 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)CCCC1 ZINC001208187106 1034784314 /nfs/dbraw/zinc/78/43/14/1034784314.db2.gz QMQUXCAQCRKSSW-NRFANRHFSA-N 2 1 392.538 3.741 20 0 GHADMP Fc1cccc(CC[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001208197352 1034789778 /nfs/dbraw/zinc/78/97/78/1034789778.db2.gz PDRMPIADIGSYLT-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1cccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001208197352 1034789792 /nfs/dbraw/zinc/78/97/92/1034789792.db2.gz PDRMPIADIGSYLT-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1cccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001208197352 1034789807 /nfs/dbraw/zinc/78/98/07/1034789807.db2.gz PDRMPIADIGSYLT-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1cccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001208197352 1034789821 /nfs/dbraw/zinc/78/98/21/1034789821.db2.gz PDRMPIADIGSYLT-UPVQGACJSA-N 2 1 386.555 3.829 20 0 GHADMP FC(F)(F)c1cc(CN2CC[NH2+]CC2)cc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001159962382 1034804565 /nfs/dbraw/zinc/80/45/65/1034804565.db2.gz QOEZCXBPKGOVGT-UHFFFAOYSA-N 2 1 375.398 3.731 20 0 GHADMP Fc1cccc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1O[C@@H]1CC[NH2+]C1 ZINC001160182046 1034891818 /nfs/dbraw/zinc/89/18/18/1034891818.db2.gz MAANDZWKFJVNSZ-LJQANCHMSA-N 2 1 397.494 3.631 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](CCC1CCCC1)CC2 ZINC001208692859 1034981820 /nfs/dbraw/zinc/98/18/20/1034981820.db2.gz DDHJYOXTAWPUJT-QFIPXVFZSA-N 2 1 378.601 3.796 20 0 GHADMP O=C(C=C1CC[NH2+]CC1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160683025 1035035535 /nfs/dbraw/zinc/03/55/35/1035035535.db2.gz JQUCUBDJGMRZJC-DEOSSOPVSA-N 2 1 389.543 3.600 20 0 GHADMP c1c(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)[nH]c2cc[nH+]cc12 ZINC001232013841 1035043668 /nfs/dbraw/zinc/04/36/68/1035043668.db2.gz DSIXMNYPVOGMAX-DHIUTWEWSA-N 2 1 392.503 3.546 20 0 GHADMP Clc1ccccc1CCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001208872799 1035070925 /nfs/dbraw/zinc/07/09/25/1035070925.db2.gz SKURIAAUJXCBRD-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP Clc1ccccc1CCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001208872799 1035070934 /nfs/dbraw/zinc/07/09/34/1035070934.db2.gz SKURIAAUJXCBRD-FYYLOGMGSA-N 2 1 399.966 3.891 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@H](C)C(F)(F)F)CC3)C2)c1 ZINC001208886278 1035075156 /nfs/dbraw/zinc/07/51/56/1035075156.db2.gz BAHRFWKSMDKUEV-INIZCTEOSA-N 2 1 386.458 3.560 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@H](C)C(F)(F)F)CC3)C2)c1 ZINC001208886278 1035075159 /nfs/dbraw/zinc/07/51/59/1035075159.db2.gz BAHRFWKSMDKUEV-INIZCTEOSA-N 2 1 386.458 3.560 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@@H](C)C(F)(F)F)CC2 ZINC001208886324 1035075278 /nfs/dbraw/zinc/07/52/78/1035075278.db2.gz BNXCVQBRKKPWSE-SJLPKXTDSA-N 2 1 385.474 3.583 20 0 GHADMP c1c2ccncc2[nH]c1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232094331 1035090966 /nfs/dbraw/zinc/09/09/66/1035090966.db2.gz BNEDAUGRLXFZHB-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP CN(CC[N@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208931227 1035094436 /nfs/dbraw/zinc/09/44/36/1035094436.db2.gz ILKSHHZWZDBXTP-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CC[N@@H+](C)C[C@H]1CCC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208931227 1035094443 /nfs/dbraw/zinc/09/44/43/1035094443.db2.gz ILKSHHZWZDBXTP-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CC[NH+](C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208931227 1035094450 /nfs/dbraw/zinc/09/44/50/1035094450.db2.gz ILKSHHZWZDBXTP-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CC[NH+](C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208931227 1035094456 /nfs/dbraw/zinc/09/44/56/1035094456.db2.gz ILKSHHZWZDBXTP-HXUWFJFHSA-N 2 1 375.557 3.697 20 0 GHADMP Fc1ccc(N2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)CC2)nc1 ZINC001208930779 1035094537 /nfs/dbraw/zinc/09/45/37/1035094537.db2.gz DSBMEDVAQVVQSU-NRFANRHFSA-N 2 1 382.527 3.645 20 0 GHADMP Fc1ccc(N2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208930779 1035094541 /nfs/dbraw/zinc/09/45/41/1035094541.db2.gz DSBMEDVAQVVQSU-NRFANRHFSA-N 2 1 382.527 3.645 20 0 GHADMP Fc1ccc(N2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208930779 1035094547 /nfs/dbraw/zinc/09/45/47/1035094547.db2.gz DSBMEDVAQVVQSU-NRFANRHFSA-N 2 1 382.527 3.645 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931258 1035094964 /nfs/dbraw/zinc/09/49/64/1035094964.db2.gz IQRDXEIUXHDDKV-GBESFXJTSA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931258 1035094971 /nfs/dbraw/zinc/09/49/71/1035094971.db2.gz IQRDXEIUXHDDKV-GBESFXJTSA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931258 1035094977 /nfs/dbraw/zinc/09/49/77/1035094977.db2.gz IQRDXEIUXHDDKV-GBESFXJTSA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931258 1035094981 /nfs/dbraw/zinc/09/49/81/1035094981.db2.gz IQRDXEIUXHDDKV-GBESFXJTSA-N 2 1 388.449 3.626 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]12 ZINC001208932346 1035097206 /nfs/dbraw/zinc/09/72/06/1035097206.db2.gz PDIRTXCTGSBLSG-FCEUIQTBSA-N 2 1 375.516 3.566 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208932346 1035097212 /nfs/dbraw/zinc/09/72/12/1035097212.db2.gz PDIRTXCTGSBLSG-FCEUIQTBSA-N 2 1 375.516 3.566 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]12 ZINC001208932346 1035097219 /nfs/dbraw/zinc/09/72/19/1035097219.db2.gz PDIRTXCTGSBLSG-FCEUIQTBSA-N 2 1 375.516 3.566 20 0 GHADMP O=C1N(CC2CC2)CC[C@]12CCCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934612 1035099394 /nfs/dbraw/zinc/09/93/94/1035099394.db2.gz JZIVSIZIDZBOKZ-NOZRDPDXSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208934612 1035099415 /nfs/dbraw/zinc/09/94/15/1035099415.db2.gz JZIVSIZIDZBOKZ-NOZRDPDXSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934612 1035099424 /nfs/dbraw/zinc/09/94/24/1035099424.db2.gz JZIVSIZIDZBOKZ-NOZRDPDXSA-N 2 1 395.591 3.623 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936194 1035103032 /nfs/dbraw/zinc/10/30/32/1035103032.db2.gz NRUZQVNYAAOMJU-LOSJGSFVSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208936194 1035103038 /nfs/dbraw/zinc/10/30/38/1035103038.db2.gz NRUZQVNYAAOMJU-LOSJGSFVSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208936194 1035103043 /nfs/dbraw/zinc/10/30/43/1035103043.db2.gz NRUZQVNYAAOMJU-LOSJGSFVSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941158 1035109008 /nfs/dbraw/zinc/10/90/08/1035109008.db2.gz ITKIOCTVZVYGPQ-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941158 1035109012 /nfs/dbraw/zinc/10/90/12/1035109012.db2.gz ITKIOCTVZVYGPQ-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941158 1035109016 /nfs/dbraw/zinc/10/90/16/1035109016.db2.gz ITKIOCTVZVYGPQ-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941157 1035110024 /nfs/dbraw/zinc/11/00/24/1035110024.db2.gz ITKIOCTVZVYGPQ-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941157 1035110029 /nfs/dbraw/zinc/11/00/29/1035110029.db2.gz ITKIOCTVZVYGPQ-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941157 1035110032 /nfs/dbraw/zinc/11/00/32/1035110032.db2.gz ITKIOCTVZVYGPQ-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208941611 1035111304 /nfs/dbraw/zinc/11/13/04/1035111304.db2.gz MUMGJUSPUBLFHS-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208941611 1035111306 /nfs/dbraw/zinc/11/13/06/1035111306.db2.gz MUMGJUSPUBLFHS-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208941611 1035111309 /nfs/dbraw/zinc/11/13/09/1035111309.db2.gz MUMGJUSPUBLFHS-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208941611 1035111314 /nfs/dbraw/zinc/11/13/14/1035111314.db2.gz MUMGJUSPUBLFHS-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP Cc1cncnc1OC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208943594 1035113696 /nfs/dbraw/zinc/11/36/96/1035113696.db2.gz MEQVUESXQMODLC-OAQYLSRUSA-N 2 1 380.536 3.540 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944900 1035115539 /nfs/dbraw/zinc/11/55/39/1035115539.db2.gz PKQNBRZEYUVZCN-OFNKIYASSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944900 1035115544 /nfs/dbraw/zinc/11/55/44/1035115544.db2.gz PKQNBRZEYUVZCN-OFNKIYASSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944900 1035115552 /nfs/dbraw/zinc/11/55/52/1035115552.db2.gz PKQNBRZEYUVZCN-OFNKIYASSA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944900 1035115557 /nfs/dbraw/zinc/11/55/57/1035115557.db2.gz PKQNBRZEYUVZCN-OFNKIYASSA-N 2 1 378.516 3.671 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947110 1035116856 /nfs/dbraw/zinc/11/68/56/1035116856.db2.gz YZWBFBZMHAETHG-VXKWHMMOSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947110 1035116865 /nfs/dbraw/zinc/11/68/65/1035116865.db2.gz YZWBFBZMHAETHG-VXKWHMMOSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947110 1035116875 /nfs/dbraw/zinc/11/68/75/1035116875.db2.gz YZWBFBZMHAETHG-VXKWHMMOSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947110 1035116881 /nfs/dbraw/zinc/11/68/81/1035116881.db2.gz YZWBFBZMHAETHG-VXKWHMMOSA-N 2 1 395.547 3.846 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]32)cc1 ZINC001208949942 1035120742 /nfs/dbraw/zinc/12/07/42/1035120742.db2.gz ORZXFXCQAVRLHL-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)C2)cc1 ZINC001208949942 1035120745 /nfs/dbraw/zinc/12/07/45/1035120745.db2.gz ORZXFXCQAVRLHL-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)C2)cc1 ZINC001208949942 1035120751 /nfs/dbraw/zinc/12/07/51/1035120751.db2.gz ORZXFXCQAVRLHL-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952548 1035125597 /nfs/dbraw/zinc/12/55/97/1035125597.db2.gz KNIUDCFXPVBNMG-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952548 1035125602 /nfs/dbraw/zinc/12/56/02/1035125602.db2.gz KNIUDCFXPVBNMG-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952548 1035125608 /nfs/dbraw/zinc/12/56/08/1035125608.db2.gz KNIUDCFXPVBNMG-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CC[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953512 1035126179 /nfs/dbraw/zinc/12/61/79/1035126179.db2.gz QMWOOOGCXPFWDT-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953512 1035126186 /nfs/dbraw/zinc/12/61/86/1035126186.db2.gz QMWOOOGCXPFWDT-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953512 1035126192 /nfs/dbraw/zinc/12/61/92/1035126192.db2.gz QMWOOOGCXPFWDT-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208953512 1035126196 /nfs/dbraw/zinc/12/61/96/1035126196.db2.gz QMWOOOGCXPFWDT-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CC(C)C1(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CC[NH2+]CC1 ZINC001161055785 1035126930 /nfs/dbraw/zinc/12/69/30/1035126930.db2.gz IECXGLTYQPQSPR-QFIPXVFZSA-N 2 1 383.580 3.668 20 0 GHADMP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208957499 1035130130 /nfs/dbraw/zinc/13/01/30/1035130130.db2.gz LHJPNDLPAKMYPF-GOTSBHOMSA-N 2 1 384.564 3.954 20 0 GHADMP Cc1cc(N2CC[NH+](C[C@H]3CCN3C(=O)OC(C)(C)C)CC2)c2ccccc2[nH+]1 ZINC001208996995 1035141312 /nfs/dbraw/zinc/14/13/12/1035141312.db2.gz NEVTYMBFYWZPCZ-GOSISDBHSA-N 2 1 396.535 3.675 20 0 GHADMP CCN(C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC001161331394 1035210187 /nfs/dbraw/zinc/21/01/87/1035210187.db2.gz XCGNDHICWNJOLQ-KRWDZBQOSA-N 2 1 398.378 3.806 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC001161367405 1035218245 /nfs/dbraw/zinc/21/82/45/1035218245.db2.gz WPVORGHLYOBCQF-VAMGGRTRSA-N 2 1 380.540 3.827 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[N@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001209374889 1035259616 /nfs/dbraw/zinc/25/96/16/1035259616.db2.gz XOPUGTBPVNASNT-KDURUIRLSA-N 2 1 391.556 3.728 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[N@@H+]1C[C@H]2C[C@H](C[NH+](Cc3ccco3)C2)C1 ZINC001209374889 1035259617 /nfs/dbraw/zinc/25/96/17/1035259617.db2.gz XOPUGTBPVNASNT-KDURUIRLSA-N 2 1 391.556 3.728 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@@H+](Cc1ccco1)C2 ZINC001209374889 1035259623 /nfs/dbraw/zinc/25/96/23/1035259623.db2.gz XOPUGTBPVNASNT-KDURUIRLSA-N 2 1 391.556 3.728 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH+]1C[C@H]2C[C@@H](C1)C[N@H+](Cc1ccco1)C2 ZINC001209374889 1035259626 /nfs/dbraw/zinc/25/96/26/1035259626.db2.gz XOPUGTBPVNASNT-KDURUIRLSA-N 2 1 391.556 3.728 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C[C@@H](C)O1 ZINC001209383348 1035264869 /nfs/dbraw/zinc/26/48/69/1035264869.db2.gz VLSFPPGGEBYKTN-GGPKGHCWSA-N 2 1 376.541 3.539 20 0 GHADMP COC1CCC(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001209390868 1035267138 /nfs/dbraw/zinc/26/71/38/1035267138.db2.gz DZYPMDRJKJNQAT-OOMBGRCJSA-N 2 1 386.580 3.947 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)C1 ZINC001209484597 1035288532 /nfs/dbraw/zinc/28/85/32/1035288532.db2.gz VNQBRSNXGFEUFO-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)C1 ZINC001209484597 1035288535 /nfs/dbraw/zinc/28/85/35/1035288535.db2.gz VNQBRSNXGFEUFO-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3cc(C[NH+]4CCOCC4)ccc3C)cc2)CC1 ZINC001241745096 1035671895 /nfs/dbraw/zinc/67/18/95/1035671895.db2.gz KQHGRNPNOBVIHU-UHFFFAOYSA-N 2 1 379.548 3.636 20 0 GHADMP c1nc2cc(-c3cccc(C[NH+]4CCOCC4)c3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001241817439 1035708906 /nfs/dbraw/zinc/70/89/06/1035708906.db2.gz PMJFPYYPIAPLBY-QFIPXVFZSA-N 2 1 390.531 3.850 20 0 GHADMP CC[NH+](CC)Cc1cc(C)ccc1-c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001241879089 1035737956 /nfs/dbraw/zinc/73/79/56/1035737956.db2.gz FCDZPXSJWNKAJP-UHFFFAOYSA-N 2 1 379.548 3.891 20 0 GHADMP c1ccc(-c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)c(C[NH+]2CCOCC2)c1 ZINC001241994454 1035784585 /nfs/dbraw/zinc/78/45/85/1035784585.db2.gz GEHQITWGXWPQIK-GWJPWWOOSA-N 2 1 388.515 3.875 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3c(F)ccc(Cl)c3Cl)C[C@H]2CC1 ZINC001278340474 1035798973 /nfs/dbraw/zinc/79/89/73/1035798973.db2.gz MKXWHWJJQOIXAP-GASCZTMLSA-N 2 1 388.358 3.838 20 0 GHADMP COc1ccc(C[NH+]2CCN(C)CC2)cc1-c1cccc(C[NH+]2CCCC2)c1 ZINC001242119766 1035818870 /nfs/dbraw/zinc/81/88/70/1035818870.db2.gz DIQNMQYKNTYRRM-UHFFFAOYSA-N 2 1 379.548 3.705 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464329 1035891995 /nfs/dbraw/zinc/89/19/95/1035891995.db2.gz OFGKBLDUQPYEFI-NRFANRHFSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464329 1035892021 /nfs/dbraw/zinc/89/20/21/1035892021.db2.gz OFGKBLDUQPYEFI-NRFANRHFSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464329 1035892042 /nfs/dbraw/zinc/89/20/42/1035892042.db2.gz OFGKBLDUQPYEFI-NRFANRHFSA-N 2 1 392.632 3.650 20 0 GHADMP COCCOCN1CCC2(C1)CCN(Cc1c(Cl)ccc(F)c1F)CC2 ZINC001278353369 1035958288 /nfs/dbraw/zinc/95/82/88/1035958288.db2.gz WJEDROZDEQZSEM-UHFFFAOYSA-N 2 1 388.886 3.527 20 0 GHADMP CON(C)C(=O)c1ccc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)c(Cl)c1 ZINC001243533938 1036200414 /nfs/dbraw/zinc/20/04/14/1036200414.db2.gz CELUYLBTZBDNCU-UHFFFAOYSA-N 2 1 387.911 3.564 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC(Cn3cncn3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462131462 1070021246 /nfs/dbraw/zinc/02/12/46/1070021246.db2.gz XZONTOMCFSCEIT-XMMPIXPASA-N 2 1 395.595 3.929 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246014175 1037133466 /nfs/dbraw/zinc/13/34/66/1037133466.db2.gz MVLUQTDAIYCANF-SFHVURJKSA-N 2 1 393.531 3.526 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246038033 1037155056 /nfs/dbraw/zinc/15/50/56/1037155056.db2.gz UHMCIFCDPXNZLC-RBVMOCNTSA-N 2 1 388.596 3.659 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246044493 1037157344 /nfs/dbraw/zinc/15/73/44/1037157344.db2.gz GNURSDALBLXUPK-IRLDBZIGSA-N 2 1 388.596 3.717 20 0 GHADMP Cc1cccc(C[N@@H+](C[C@@H](O)COc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246063621 1037175182 /nfs/dbraw/zinc/17/51/82/1037175182.db2.gz AIUMRYUWIPEEDX-YPAWHYETSA-N 2 1 386.511 3.646 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123865 1037203070 /nfs/dbraw/zinc/20/30/70/1037203070.db2.gz VCSCLKABWKIUNH-NZQKXSOJSA-N 3 1 395.566 3.848 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CCN2)cc1 ZINC001246132244 1037207510 /nfs/dbraw/zinc/20/75/10/1037207510.db2.gz OTRRJIBKRPSNGG-BVSLBCMMSA-N 2 1 377.532 3.715 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@H](CC(=O)OC)c2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC001246253156 1037255486 /nfs/dbraw/zinc/25/54/86/1037255486.db2.gz CUGDKIMPGMLVGE-MQSCRBSSSA-N 2 1 396.531 3.990 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001246261426 1037262311 /nfs/dbraw/zinc/26/23/11/1037262311.db2.gz PRYGLMHQZHKAFP-ILWGZMRPSA-N 2 1 389.584 3.546 20 0 GHADMP Brc1cccc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246360076 1037320107 /nfs/dbraw/zinc/32/01/07/1037320107.db2.gz IMMRRXYOHWFXMR-YOFSQIOKSA-N 2 1 392.385 3.534 20 0 GHADMP COc1cccc(CC2(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246374635 1037332434 /nfs/dbraw/zinc/33/24/34/1037332434.db2.gz GGNUFRHUOXZRNP-NFBKMPQASA-N 2 1 393.575 3.613 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC[NH2+]1 ZINC001246389601 1037349991 /nfs/dbraw/zinc/34/99/91/1037349991.db2.gz OFOWAGJIWVFTHN-RTBURBONSA-N 2 1 381.499 3.792 20 0 GHADMP FC(F)(F)c1ccc(C2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246421830 1037378110 /nfs/dbraw/zinc/37/81/10/1037378110.db2.gz IRYVHPNRMXNXAK-SFHVURJKSA-N 2 1 381.486 3.796 20 0 GHADMP Clc1cccc(CC2(C[NH2+]C3CCN(CC4CC4)CC3)CC[NH2+]CC2)c1 ZINC001246428336 1037387839 /nfs/dbraw/zinc/38/78/39/1037387839.db2.gz ZIYNLXDGGLXGRH-UHFFFAOYSA-N 2 1 375.988 3.716 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246429892 1037389555 /nfs/dbraw/zinc/38/95/55/1037389555.db2.gz JNHPRQJVEQJLQB-WMLDXEAASA-N 2 1 384.442 3.606 20 0 GHADMP FC(F)(F)c1cccc(C2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246430866 1037391259 /nfs/dbraw/zinc/39/12/59/1037391259.db2.gz PZETZACSOSYIOV-RBUKOAKNSA-N 2 1 381.486 3.796 20 0 GHADMP CC(C)[C@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246439564 1037401593 /nfs/dbraw/zinc/40/15/93/1037401593.db2.gz ZBZPQCXJFHMKJA-RTBURBONSA-N 3 1 383.502 3.818 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001246453995 1037413399 /nfs/dbraw/zinc/41/33/99/1037413399.db2.gz ZDARMDFPRBGLPB-OAHLLOKOSA-N 2 1 385.474 3.521 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC[NH2+]1 ZINC001246494409 1037439458 /nfs/dbraw/zinc/43/94/58/1037439458.db2.gz YQPSSHUVSKXZPL-HBMCJLEFSA-N 2 1 391.625 3.844 20 0 GHADMP CCCC[C@@H]1C[C@@H](NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)CC[NH2+]1 ZINC001246516397 1037452406 /nfs/dbraw/zinc/45/24/06/1037452406.db2.gz SAIGCYYXLSQOIH-HKBOAZHASA-N 2 1 381.992 3.860 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001246673585 1037539677 /nfs/dbraw/zinc/53/96/77/1037539677.db2.gz PTDQJNNBYICDJX-DSITVLBTSA-N 2 1 375.560 3.514 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246675102 1037540762 /nfs/dbraw/zinc/54/07/62/1037540762.db2.gz VXPBOUDXBMSHLP-SGIRGMQISA-N 2 1 392.543 3.990 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CC2 ZINC001246674040 1037540902 /nfs/dbraw/zinc/54/09/02/1037540902.db2.gz SKIXWVAOVCSGMQ-KJNGQBKQSA-N 2 1 382.548 3.578 20 0 GHADMP Fc1cccc(N2CCC([N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)c1 ZINC001246687882 1037547459 /nfs/dbraw/zinc/54/74/59/1037547459.db2.gz YJBRKKCAYRNPGW-RPWUZVMVSA-N 2 1 379.523 3.874 20 0 GHADMP c1ccc([C@H]2C[C@H]([N@@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)CC[NH2+]2)cc1 ZINC001246706603 1037558877 /nfs/dbraw/zinc/55/88/77/1037558877.db2.gz ZVSXVCPVPGJHNR-NGSHPTGOSA-N 2 1 391.559 3.987 20 0 GHADMP c1ccc([C@H]2C[C@H]([N@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)CC[NH2+]2)cc1 ZINC001246706603 1037558900 /nfs/dbraw/zinc/55/89/00/1037558900.db2.gz ZVSXVCPVPGJHNR-NGSHPTGOSA-N 2 1 391.559 3.987 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)CC3)c1 ZINC001246712155 1037563889 /nfs/dbraw/zinc/56/38/89/1037563889.db2.gz FFZGVIJTNJILSD-VTYHHJSWSA-N 3 1 385.596 3.902 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)C[C@@H](CC)[NH2+]1 ZINC001246720446 1037573048 /nfs/dbraw/zinc/57/30/48/1037573048.db2.gz MCUBWRVHJLWUCL-RQTOMXEWSA-N 2 1 397.607 3.853 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@H]2CC)CC[NH2+]1 ZINC001246724162 1037574770 /nfs/dbraw/zinc/57/47/70/1037574770.db2.gz USEGMPSFMHIKSI-FQOCKNPQSA-N 2 1 375.601 3.943 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246730595 1037580899 /nfs/dbraw/zinc/58/08/99/1037580899.db2.gz UHEIICUYWYEBBP-KHUIQGCPSA-N 2 1 383.580 3.729 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCC5(C4)CC[NH2+]CC5)CC3)C2)cc1 ZINC001246749409 1037587238 /nfs/dbraw/zinc/58/72/38/1037587238.db2.gz WKKFUKFSUUKPOJ-QHCPKHFHSA-N 3 1 397.607 3.584 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+]([C@H]4CCC5(C4)CC[NH2+]CC5)CC3)C2)cc1 ZINC001246749409 1037587248 /nfs/dbraw/zinc/58/72/48/1037587248.db2.gz WKKFUKFSUUKPOJ-QHCPKHFHSA-N 2 1 397.607 3.584 20 0 GHADMP CCCC[C@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC[NH2+]1 ZINC001246750631 1037590766 /nfs/dbraw/zinc/59/07/66/1037590766.db2.gz ZSVPGIBLQLHSQS-ZEQRLZLVSA-N 2 1 399.623 3.973 20 0 GHADMP CC[C@H]1CC([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246755648 1037596298 /nfs/dbraw/zinc/59/62/98/1037596298.db2.gz QIARUZYNEUFGJE-JKBKZWBZSA-N 2 1 378.564 3.968 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246757245 1037598732 /nfs/dbraw/zinc/59/87/32/1037598732.db2.gz BNRAJMPUBBUJLM-KHYDEXNFSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246757245 1037598743 /nfs/dbraw/zinc/59/87/43/1037598743.db2.gz BNRAJMPUBBUJLM-KHYDEXNFSA-N 2 1 387.568 3.641 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)s1 ZINC001246761145 1037605044 /nfs/dbraw/zinc/60/50/44/1037605044.db2.gz YYRLJIPAOYPXEJ-RXVVDRJESA-N 2 1 387.593 3.940 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@@H]4CC[NH2+][C@H](c5ccccc5)C4)CC[N@H+]3C2)cc1 ZINC001246763480 1037607794 /nfs/dbraw/zinc/60/77/94/1037607794.db2.gz CPCPGZDCTKWGKG-MFYODDQASA-N 2 1 391.559 3.626 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246764400 1037608156 /nfs/dbraw/zinc/60/81/56/1037608156.db2.gz KEIDIMUNZDFFBS-UTAOTPEMSA-N 2 1 391.506 3.703 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](C3CCC4(CC[NH2+]C4)CC3)C2)C1=O ZINC001246772984 1037615166 /nfs/dbraw/zinc/61/51/66/1037615166.db2.gz DBTQHCOLBUIZSV-TVNWEXPRSA-N 2 1 381.564 3.555 20 0 GHADMP Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)c1 ZINC001246776545 1037617459 /nfs/dbraw/zinc/61/74/59/1037617459.db2.gz DCFWKTOOSPDIIU-IDYZSHNDSA-N 2 1 378.944 3.793 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)cc1 ZINC001246779991 1037618702 /nfs/dbraw/zinc/61/87/02/1037618702.db2.gz PJKVVJYBNZFCCD-VDKIKQQVSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)cc1 ZINC001246779991 1037618710 /nfs/dbraw/zinc/61/87/10/1037618710.db2.gz PJKVVJYBNZFCCD-VDKIKQQVSA-N 2 1 389.543 3.917 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246780119 1037619078 /nfs/dbraw/zinc/61/90/78/1037619078.db2.gz ALQOKBFISYOLGM-GMAHTHKFSA-N 2 1 397.538 3.754 20 0 GHADMP Clc1ccc(CO[C@H]2CCC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)cc1 ZINC001246792615 1037633320 /nfs/dbraw/zinc/63/33/20/1037633320.db2.gz AQADRGUBUHBURA-KBWCOIMZSA-N 2 1 378.944 3.622 20 0 GHADMP COCCCN([C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246807804 1037642339 /nfs/dbraw/zinc/64/23/39/1037642339.db2.gz LWPIVHUNJWGBHV-QPXUXIHVSA-N 2 1 385.596 3.663 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C1CCC2(CC[NH2+]C2)CC1 ZINC001246813802 1037647913 /nfs/dbraw/zinc/64/79/13/1037647913.db2.gz NZFTZMBBADJEHZ-LJCXZREGSA-N 2 1 375.601 3.704 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246815705 1037648203 /nfs/dbraw/zinc/64/82/03/1037648203.db2.gz BIQBFMCXWIRXRE-MSOLQXFVSA-N 2 1 380.374 3.738 20 0 GHADMP CC[C@@H]1CC([NH+]2CCN(c3cccc(Br)c3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246818568 1037649972 /nfs/dbraw/zinc/64/99/72/1037649972.db2.gz PQTBCQVQUUMWPD-IAGOWNOFSA-N 2 1 380.374 3.880 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2Cc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246817877 1037650871 /nfs/dbraw/zinc/65/08/71/1037650871.db2.gz NSSLMTSRQZWRKD-RRJCBXKSSA-N 2 1 377.576 3.945 20 0 GHADMP Clc1cncc(Cl)c1N1CC[NH+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246823237 1037654571 /nfs/dbraw/zinc/65/45/71/1037654571.db2.gz OTOGLVRMUJBXPP-UHFFFAOYSA-N 2 1 383.367 3.823 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849531 1037673731 /nfs/dbraw/zinc/67/37/31/1037673731.db2.gz FVFNOOGGNAXSPM-SDHOMARFSA-N 3 1 377.576 3.804 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+](C)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246861167 1037680118 /nfs/dbraw/zinc/68/01/18/1037680118.db2.gz SROOORZXEZVQRA-NHYWBVRUSA-N 2 1 395.391 3.811 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CN1Cc1ccccc1 ZINC001246859294 1037680322 /nfs/dbraw/zinc/68/03/22/1037680322.db2.gz JIAKIYBBSPNDCC-OFNKIYASSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@@H]1C[C@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC001246859294 1037680330 /nfs/dbraw/zinc/68/03/30/1037680330.db2.gz JIAKIYBBSPNDCC-OFNKIYASSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@@H]1C[C@H](N2Cc3ccccc3C3(CC[NH2+]CC3)C2)C[N@H+]1Cc1ccccc1 ZINC001246859294 1037680344 /nfs/dbraw/zinc/68/03/44/1037680344.db2.gz JIAKIYBBSPNDCC-OFNKIYASSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246870406 1037686247 /nfs/dbraw/zinc/68/62/47/1037686247.db2.gz AUQTZKZDXCLWDQ-SCWSEQNSSA-N 2 1 385.349 3.853 20 0 GHADMP Clc1ccc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246881468 1037697567 /nfs/dbraw/zinc/69/75/67/1037697567.db2.gz UIKFLLJEBGSAEW-XXBNENTESA-N 2 1 381.951 3.782 20 0 GHADMP Fc1ccc([C@@H]2C[NH2+]CCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246888846 1037702748 /nfs/dbraw/zinc/70/27/48/1037702748.db2.gz VMHQIBSTQPPWEE-KIHHCIJBSA-N 2 1 379.523 3.968 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246891944 1037705274 /nfs/dbraw/zinc/70/52/74/1037705274.db2.gz YTTGXJSHCAWDOL-FQEVSTJZSA-N 2 1 389.971 3.943 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246891944 1037705293 /nfs/dbraw/zinc/70/52/93/1037705293.db2.gz YTTGXJSHCAWDOL-FQEVSTJZSA-N 2 1 389.971 3.943 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C(=O)OC(C)(C)C)cc3)CC2)CC[NH2+]1 ZINC001246906190 1037715946 /nfs/dbraw/zinc/71/59/46/1037715946.db2.gz DBJXWBNEHBLIDX-SFTDATJTSA-N 2 1 387.568 3.541 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@@H]2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC001246907587 1037717537 /nfs/dbraw/zinc/71/75/37/1037717537.db2.gz FFUOTVRTYGQIPG-QZTJIDSGSA-N 2 1 380.374 3.656 20 0 GHADMP O=C1C[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC001246935770 1037738940 /nfs/dbraw/zinc/73/89/40/1037738940.db2.gz WUKUQWFQMDLMKL-UEQSERJNSA-N 2 1 389.543 3.573 20 0 GHADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)C1CCC2(CCCCC2)CC1 ZINC001246943938 1037746637 /nfs/dbraw/zinc/74/66/37/1037746637.db2.gz USZVSUHRAHOYHZ-UHFFFAOYSA-N 2 1 391.644 3.903 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2cccnc2)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246952691 1037754843 /nfs/dbraw/zinc/75/48/43/1037754843.db2.gz MBCGUGMBMCBWAY-HUVFLSCGSA-N 2 1 378.564 3.689 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246951582 1037755607 /nfs/dbraw/zinc/75/56/07/1037755607.db2.gz LZFVJMACMWPOOK-UYAOXDASSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246956291 1037766192 /nfs/dbraw/zinc/76/61/92/1037766192.db2.gz RLFXHFYHXHMLLA-DNVCBOLYSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246956291 1037766201 /nfs/dbraw/zinc/76/62/01/1037766201.db2.gz RLFXHFYHXHMLLA-DNVCBOLYSA-N 2 1 380.479 3.641 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246959948 1037777439 /nfs/dbraw/zinc/77/74/39/1037777439.db2.gz UUTQWOLWWYDBIN-IBGZPJMESA-N 3 1 389.584 3.538 20 0 GHADMP COc1cccc2c1C[C@@H]([N@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1)CO2 ZINC001246960748 1037780097 /nfs/dbraw/zinc/78/00/97/1037780097.db2.gz NEPHOYVBXUBIDP-HXUWFJFHSA-N 2 1 384.495 3.700 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1)CO2 ZINC001246960748 1037780118 /nfs/dbraw/zinc/78/01/18/1037780118.db2.gz NEPHOYVBXUBIDP-HXUWFJFHSA-N 2 1 384.495 3.700 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246964713 1037787724 /nfs/dbraw/zinc/78/77/24/1037787724.db2.gz MSZCSRNOXREELN-XLIONFOSSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246966375 1037789447 /nfs/dbraw/zinc/78/94/47/1037789447.db2.gz UEJRGMRCAICWIW-XSDIEEQYSA-N 2 1 388.552 3.889 20 0 GHADMP Brc1ccc(N2CCC([N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)CC2)cc1 ZINC001246974209 1037796585 /nfs/dbraw/zinc/79/65/85/1037796585.db2.gz QESGIYJGYGIUCH-MRXNPFEDSA-N 2 1 392.385 3.882 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H](Oc3ccc(C(=O)NCCC)cc3)C2)CC[NH2+]1 ZINC001246974307 1037797000 /nfs/dbraw/zinc/79/70/00/1037797000.db2.gz PGXJZECAZUQKBY-SJBKTWHCSA-N 2 1 387.568 3.590 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001247010083 1037834512 /nfs/dbraw/zinc/83/45/12/1037834512.db2.gz MSGQULYNOXAYKI-VQIMIIECSA-N 2 1 392.385 3.802 20 0 GHADMP CCOc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1C ZINC001232309995 1038065541 /nfs/dbraw/zinc/06/55/41/1038065541.db2.gz RYTNZKWWPQHEBE-UHFFFAOYSA-N 2 1 380.536 3.672 20 0 GHADMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCc4ccccc4)C3)cn2)CC1 ZINC001232364241 1038141941 /nfs/dbraw/zinc/14/19/41/1038141941.db2.gz SEEAWOSISBDGOP-JOCHJYFZSA-N 2 1 378.564 3.678 20 0 GHADMP COc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(OC)cc1Cl ZINC001232370748 1038144620 /nfs/dbraw/zinc/14/46/20/1038144620.db2.gz UUOUPYMOVRFWSO-UHFFFAOYSA-N 2 1 396.959 3.682 20 0 GHADMP [NH3+]CCC[C@@H]([NH3+])c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1 ZINC001247507122 1038232174 /nfs/dbraw/zinc/23/21/74/1038232174.db2.gz IBDREOVXNRLXGA-CQSZACIVSA-N 2 1 393.369 3.681 20 0 GHADMP Cc1cccc(F)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001232486480 1038265344 /nfs/dbraw/zinc/26/53/44/1038265344.db2.gz JAQQMVCTGROLJP-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2Br)no1 ZINC001247698822 1038337096 /nfs/dbraw/zinc/33/70/96/1038337096.db2.gz OCNKWIUFHYALMB-SNVBAGLBSA-N 2 1 393.207 3.647 20 0 GHADMP Fc1cc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(F)cc1Cl ZINC001247904729 1038476423 /nfs/dbraw/zinc/47/64/23/1038476423.db2.gz IAOPMJHTSJIMME-NSHDSACASA-N 2 1 382.842 3.600 20 0 GHADMP Cc1cc2ccccc2nc1-c1noc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247906375 1038477211 /nfs/dbraw/zinc/47/72/11/1038477211.db2.gz VROXBYDMXKJRQL-QGZVFWFLSA-N 2 1 377.492 3.525 20 0 GHADMP Cc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1C(F)(F)F ZINC001247907664 1038480893 /nfs/dbraw/zinc/48/08/93/1038480893.db2.gz VGRWHVMKGWYMDM-HNNXBMFYSA-N 2 1 394.441 3.995 20 0 GHADMP Fc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1C(F)(F)F ZINC001247908796 1038481876 /nfs/dbraw/zinc/48/18/76/1038481876.db2.gz WOXVPOBEYQXXBV-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP Fc1cc(-c2noc([C@@H]3C[C@@]34CCC[NH2+]CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247924536 1038500574 /nfs/dbraw/zinc/50/05/74/1038500574.db2.gz INRZBAGSSBAIKO-KPLVRAHFSA-N 2 1 393.466 3.855 20 0 GHADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770624 1038545246 /nfs/dbraw/zinc/54/52/46/1038545246.db2.gz QDNUIOPICGJIKM-OAQYLSRUSA-N 2 1 391.581 3.569 20 0 GHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770624 1038545255 /nfs/dbraw/zinc/54/52/55/1038545255.db2.gz QDNUIOPICGJIKM-OAQYLSRUSA-N 2 1 391.581 3.569 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(s3)CN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001232770624 1038545263 /nfs/dbraw/zinc/54/52/63/1038545263.db2.gz QDNUIOPICGJIKM-OAQYLSRUSA-N 2 1 391.581 3.569 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C[C@H](O)c1ccccc1)CC2 ZINC001251985534 1038793473 /nfs/dbraw/zinc/79/34/73/1038793473.db2.gz JJIKBUGSILHSJL-CTNGQTDRSA-N 2 1 386.561 3.537 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(Cc3cccc(OC)c3NC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001233131038 1038915412 /nfs/dbraw/zinc/91/54/12/1038915412.db2.gz XTSHGNOLODUVKP-HDICACEKSA-N 2 1 389.540 3.816 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252379773 1038967782 /nfs/dbraw/zinc/96/77/82/1038967782.db2.gz JFNZCOYEKNKSSL-FQEVSTJZSA-N 2 1 391.515 3.522 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001252381979 1038967973 /nfs/dbraw/zinc/96/79/73/1038967973.db2.gz WDMROFDLKDNJPY-QFIPXVFZSA-N 2 1 394.559 3.920 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001252381979 1038967976 /nfs/dbraw/zinc/96/79/76/1038967976.db2.gz WDMROFDLKDNJPY-QFIPXVFZSA-N 2 1 394.559 3.920 20 0 GHADMP COc1cc(Br)cc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001233217032 1038978662 /nfs/dbraw/zinc/97/86/62/1038978662.db2.gz KGJSIBIHNWRZLH-MRXNPFEDSA-N 2 1 377.282 3.814 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233315073 1039107089 /nfs/dbraw/zinc/10/70/89/1039107089.db2.gz XMZJDOMYYCSGIC-GOSISDBHSA-N 2 1 389.927 3.831 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1cc3cccnc3s1)CC2 ZINC001233347111 1039159713 /nfs/dbraw/zinc/15/97/13/1039159713.db2.gz CKGZGSBLXGUQHU-UHFFFAOYSA-N 2 1 381.549 3.537 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H](O)c2ccc(F)cc2)CC3)c1 ZINC001252845010 1039205762 /nfs/dbraw/zinc/20/57/62/1039205762.db2.gz NRJCJIWNGBDBLW-QHCPKHFHSA-N 2 1 398.522 3.856 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252935344 1039272183 /nfs/dbraw/zinc/27/21/83/1039272183.db2.gz ZLDKHBNIJGSIIO-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252935344 1039272194 /nfs/dbraw/zinc/27/21/94/1039272194.db2.gz ZLDKHBNIJGSIIO-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@@H]2CCC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252935344 1039272209 /nfs/dbraw/zinc/27/22/09/1039272209.db2.gz ZLDKHBNIJGSIIO-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@@H]2CCC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252935344 1039272225 /nfs/dbraw/zinc/27/22/25/1039272225.db2.gz ZLDKHBNIJGSIIO-UKILVPOCSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252935345 1039272979 /nfs/dbraw/zinc/27/29/79/1039272979.db2.gz ZLDKHBNIJGSIIO-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252935345 1039272988 /nfs/dbraw/zinc/27/29/88/1039272988.db2.gz ZLDKHBNIJGSIIO-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@@H]2CCC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252935345 1039273000 /nfs/dbraw/zinc/27/30/00/1039273000.db2.gz ZLDKHBNIJGSIIO-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@@H]2CCC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252935345 1039273016 /nfs/dbraw/zinc/27/30/16/1039273016.db2.gz ZLDKHBNIJGSIIO-ZCYQVOJMSA-N 2 1 394.559 3.587 20 0 GHADMP O[C@]1(C[NH2+]CCCc2ccc(C(F)(F)F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252945608 1039289975 /nfs/dbraw/zinc/28/99/75/1039289975.db2.gz FNLYARJUDXOIGK-NRFANRHFSA-N 2 1 392.465 3.865 20 0 GHADMP O[C@]1(C[NH2+]CCCc2ccc(C(F)(F)F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945608 1039289984 /nfs/dbraw/zinc/28/99/84/1039289984.db2.gz FNLYARJUDXOIGK-NRFANRHFSA-N 2 1 392.465 3.865 20 0 GHADMP O[C@@]1(C[NH2+]C/C(=C/F)CCc2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948218 1039291055 /nfs/dbraw/zinc/29/10/55/1039291055.db2.gz KJXUXWKZRJCEKM-XOYGFPHKSA-N 2 1 386.486 3.838 20 0 GHADMP O[C@@]1(C[NH2+]C/C(=C/F)CCc2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948218 1039291060 /nfs/dbraw/zinc/29/10/60/1039291060.db2.gz KJXUXWKZRJCEKM-XOYGFPHKSA-N 2 1 386.486 3.838 20 0 GHADMP O[C@]1(C[NH2+]CCc2cc(C(F)(F)F)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC001252948049 1039291544 /nfs/dbraw/zinc/29/15/44/1039291544.db2.gz IYMYUAICWFKNPF-FQEVSTJZSA-N 2 1 396.428 3.614 20 0 GHADMP O[C@]1(C[NH2+]CCc2cc(C(F)(F)F)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948049 1039291559 /nfs/dbraw/zinc/29/15/59/1039291559.db2.gz IYMYUAICWFKNPF-FQEVSTJZSA-N 2 1 396.428 3.614 20 0 GHADMP CC[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)CCOCc2ccccc2)CC1 ZINC001253274134 1039519124 /nfs/dbraw/zinc/51/91/24/1039519124.db2.gz DZAYUDHMOSDUEQ-RUZDIDTESA-N 2 1 396.575 3.941 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)CCOCc2ccccc2)CC1 ZINC001253274134 1039519130 /nfs/dbraw/zinc/51/91/30/1039519130.db2.gz DZAYUDHMOSDUEQ-RUZDIDTESA-N 2 1 396.575 3.941 20 0 GHADMP COCC[NH+]1CCC([NH2+]C[C@@](O)(CCc2ccc(Cl)cc2)C(C)(C)C)CC1 ZINC001253492695 1039673382 /nfs/dbraw/zinc/67/33/82/1039673382.db2.gz GTXGGHWVCGCVQW-QFIPXVFZSA-N 2 1 397.003 3.750 20 0 GHADMP COc1cc(OC)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1Br ZINC001278735713 1039763188 /nfs/dbraw/zinc/76/31/88/1039763188.db2.gz KBRFCMCSKMHQLL-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001254118197 1039996215 /nfs/dbraw/zinc/99/62/15/1039996215.db2.gz LDZXWTZWEGQKNN-JOCHJYFZSA-N 2 1 386.584 3.603 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001254511696 1040290739 /nfs/dbraw/zinc/29/07/39/1040290739.db2.gz CUQMPSCNYZBIQM-GOSISDBHSA-N 2 1 381.358 3.571 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521573 1040296954 /nfs/dbraw/zinc/29/69/54/1040296954.db2.gz VNWVEGDOUALTSJ-PMACEKPBSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521573 1040296966 /nfs/dbraw/zinc/29/69/66/1040296966.db2.gz VNWVEGDOUALTSJ-PMACEKPBSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521573 1040296976 /nfs/dbraw/zinc/29/69/76/1040296976.db2.gz VNWVEGDOUALTSJ-PMACEKPBSA-N 2 1 379.589 3.972 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001234971078 1040472843 /nfs/dbraw/zinc/47/28/43/1040472843.db2.gz NOZCMVMRXBXAND-UYAOXDASSA-N 2 1 376.422 3.793 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC001234971078 1040472854 /nfs/dbraw/zinc/47/28/54/1040472854.db2.gz NOZCMVMRXBXAND-UYAOXDASSA-N 2 1 376.422 3.793 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)s2)c1 ZINC001234986792 1040483007 /nfs/dbraw/zinc/48/30/07/1040483007.db2.gz CPBWADGMHXRLFE-GOSISDBHSA-N 2 1 381.467 3.571 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001254731750 1040489972 /nfs/dbraw/zinc/48/99/72/1040489972.db2.gz MUMQJOBYHIJZQH-OKYOBFRVSA-N 2 1 377.573 3.771 20 0 GHADMP Clc1ccc(Cn2cc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c3ccccc32)cn1 ZINC001235030473 1040520324 /nfs/dbraw/zinc/52/03/24/1040520324.db2.gz ARIQHXGRWXHQBE-QFIPXVFZSA-N 2 1 380.923 3.923 20 0 GHADMP Clc1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccc1OCc1ccccc1 ZINC001235035666 1040528802 /nfs/dbraw/zinc/52/88/02/1040528802.db2.gz GWDOCKFLWJIKID-DENIHFKCSA-N 2 1 386.923 3.729 20 0 GHADMP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235088268 1040578505 /nfs/dbraw/zinc/57/85/05/1040578505.db2.gz GJUWLJBVJSHUOG-UHFFFAOYSA-N 2 1 382.348 3.918 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](C3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)C2)CC1 ZINC001254881414 1040633316 /nfs/dbraw/zinc/63/33/16/1040633316.db2.gz ZPAVUIJQSCKKSA-UHFFFAOYSA-N 2 1 391.600 3.974 20 0 GHADMP Brc1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)OCO2 ZINC001235158093 1040651586 /nfs/dbraw/zinc/65/15/86/1040651586.db2.gz UQWPHJWAPXAVBU-MRXNPFEDSA-N 2 1 381.314 3.532 20 0 GHADMP Ic1csc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235158654 1040654227 /nfs/dbraw/zinc/65/42/27/1040654227.db2.gz LZHXJYIJFRRCCB-HNNXBMFYSA-N 2 1 390.334 3.707 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254911233 1040661759 /nfs/dbraw/zinc/66/17/59/1040661759.db2.gz OLAYIKRMWXBHKF-ACDBMABISA-N 2 1 379.589 3.684 20 0 GHADMP COc1cc(C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccn1 ZINC001462481034 1070289924 /nfs/dbraw/zinc/28/99/24/1070289924.db2.gz LZWVZPIPXGFHJA-UGKGYDQZSA-N 2 1 379.548 3.913 20 0 GHADMP C[C@@H]([NH3+])c1nc2ccccc2n1C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001254989996 1040711406 /nfs/dbraw/zinc/71/14/06/1040711406.db2.gz NTQZTRXOOJVMLR-VOBGVNJCSA-N 2 1 376.504 3.661 20 0 GHADMP C[C@@H]([NH3+])c1nc2ccccc2n1C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254989996 1040711412 /nfs/dbraw/zinc/71/14/12/1040711412.db2.gz NTQZTRXOOJVMLR-VOBGVNJCSA-N 2 1 376.504 3.661 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255021227 1040733105 /nfs/dbraw/zinc/73/31/05/1040733105.db2.gz MCYLPUZOEMRQIN-NRFANRHFSA-N 2 1 397.588 3.613 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255021227 1040733116 /nfs/dbraw/zinc/73/31/16/1040733116.db2.gz MCYLPUZOEMRQIN-NRFANRHFSA-N 2 1 397.588 3.613 20 0 GHADMP [NH3+][C@@H]1CCN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255071295 1040764968 /nfs/dbraw/zinc/76/49/68/1040764968.db2.gz CXCLKLDSEHMBOW-ZFFYZDHPSA-N 2 1 375.560 3.784 20 0 GHADMP O[C@@H](CF)C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075836 1040766679 /nfs/dbraw/zinc/76/66/79/1040766679.db2.gz JEIZSYINIIIKRB-CJRSTVEYSA-N 2 1 382.523 3.671 20 0 GHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001462488734 1070296285 /nfs/dbraw/zinc/29/62/85/1070296285.db2.gz UKMDQMXRRHZYEB-OAQYLSRUSA-N 2 1 379.589 3.974 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccccc1C1CC1)C2 ZINC001235319310 1040791160 /nfs/dbraw/zinc/79/11/60/1040791160.db2.gz AIEVPFXSDSPCRZ-XUZZJYLKSA-N 2 1 382.548 3.709 20 0 GHADMP Fc1c(Br)ccc(C(F)(F)F)c1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340733 1040809452 /nfs/dbraw/zinc/80/94/52/1040809452.db2.gz LQKVBJKCCNXEIU-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP Fc1c(Br)ccc(C(F)(F)F)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340733 1040809466 /nfs/dbraw/zinc/80/94/66/1040809466.db2.gz LQKVBJKCCNXEIU-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP COc1cccc([C@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255123856 1040814700 /nfs/dbraw/zinc/81/47/00/1040814700.db2.gz FEQWYLHZVFETEJ-KHUIQGCPSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255123856 1040814710 /nfs/dbraw/zinc/81/47/10/1040814710.db2.gz FEQWYLHZVFETEJ-KHUIQGCPSA-N 2 1 380.532 3.904 20 0 GHADMP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCc2ccccc21 ZINC001255128158 1040819762 /nfs/dbraw/zinc/81/97/62/1040819762.db2.gz MMIMVBKBLOIIPB-NUNAXRQHSA-N 2 1 389.543 3.751 20 0 GHADMP COC(=O)c1cccc(C(=[NH2+])N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255128487 1040822779 /nfs/dbraw/zinc/82/27/79/1040822779.db2.gz CBVHHBHEBUDIJH-MZADTFQBSA-N 2 1 377.488 3.584 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(O)cc1 ZINC001255131270 1040828600 /nfs/dbraw/zinc/82/86/00/1040828600.db2.gz ZGVNJJSKMFQAMC-CUDBPUKSSA-N 2 1 394.515 3.782 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(O)cc1 ZINC001255131270 1040828613 /nfs/dbraw/zinc/82/86/13/1040828613.db2.gz ZGVNJJSKMFQAMC-CUDBPUKSSA-N 2 1 394.515 3.782 20 0 GHADMP FC(F)(F)Cn1nccc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255133503 1040831330 /nfs/dbraw/zinc/83/13/30/1040831330.db2.gz SWUKCDTUGVJHAA-NNZMDNLPSA-N 2 1 378.442 3.731 20 0 GHADMP FC(F)(F)Cn1nccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255133503 1040831347 /nfs/dbraw/zinc/83/13/47/1040831347.db2.gz SWUKCDTUGVJHAA-NNZMDNLPSA-N 2 1 378.442 3.731 20 0 GHADMP FC(F)(F)Cn1nccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255133503 1040831365 /nfs/dbraw/zinc/83/13/65/1040831365.db2.gz SWUKCDTUGVJHAA-NNZMDNLPSA-N 2 1 378.442 3.731 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137313 1040838795 /nfs/dbraw/zinc/83/87/95/1040838795.db2.gz WGLLAEMEIYYOGS-KOUNCHBCSA-N 2 1 378.516 3.801 20 0 GHADMP FC1(F)CN(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1 ZINC001255145562 1040857671 /nfs/dbraw/zinc/85/76/71/1040857671.db2.gz RBLMHDIWHYCXPX-AERCQKQUSA-N 2 1 375.507 3.597 20 0 GHADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)s1 ZINC001235367532 1040862667 /nfs/dbraw/zinc/86/26/67/1040862667.db2.gz TXUUXTTYZITHMI-KNQAVFIVSA-N 2 1 384.593 3.743 20 0 GHADMP CCN(CC)c1ncc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)s1 ZINC001235367532 1040862675 /nfs/dbraw/zinc/86/26/75/1040862675.db2.gz TXUUXTTYZITHMI-KNQAVFIVSA-N 2 1 384.593 3.743 20 0 GHADMP Oc1cccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC001255148334 1040862852 /nfs/dbraw/zinc/86/28/52/1040862852.db2.gz UUKXDCOSVWACQD-JKHIJQBDSA-N 2 1 377.532 3.710 20 0 GHADMP Oc1cccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255148334 1040862863 /nfs/dbraw/zinc/86/28/63/1040862863.db2.gz UUKXDCOSVWACQD-JKHIJQBDSA-N 2 1 377.532 3.710 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc(-c4cnccn4)cc2)CC3)cc1 ZINC001235368648 1040864615 /nfs/dbraw/zinc/86/46/15/1040864615.db2.gz KFJUDNJMFVPLMM-ZCYQVOJMSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235377197 1040889780 /nfs/dbraw/zinc/88/97/80/1040889780.db2.gz CQXAFYWOUCBRMS-ARMFNRFLSA-N 2 1 389.587 3.978 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@H+](Cc2cccc(-c4ccccn4)n2)CC3)cc1 ZINC001235379553 1040899095 /nfs/dbraw/zinc/89/90/95/1040899095.db2.gz HCWRNYISIMZTAA-PXDATVDWSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2cccc(-c4ccccn4)n2)CC3)cc1 ZINC001235379553 1040899102 /nfs/dbraw/zinc/89/91/02/1040899102.db2.gz HCWRNYISIMZTAA-PXDATVDWSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](Cc2ccc(Oc4ncccn4)cc2)C3)cc1 ZINC001235381364 1040902084 /nfs/dbraw/zinc/90/20/84/1040902084.db2.gz VYTPXWRGJBFORE-VWNXMTODSA-N 2 1 386.499 3.848 20 0 GHADMP COc1c(Br)cc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235422624 1040925074 /nfs/dbraw/zinc/92/50/74/1040925074.db2.gz DGSABAYQGYEWDC-UONOGXRCSA-N 2 1 385.321 3.808 20 0 GHADMP Brc1ccc2n[nH]c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423743 1040925362 /nfs/dbraw/zinc/92/53/62/1040925362.db2.gz GVLRSUWXRRMUTN-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423743 1040925366 /nfs/dbraw/zinc/92/53/66/1040925366.db2.gz GVLRSUWXRRMUTN-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423743 1040925370 /nfs/dbraw/zinc/92/53/70/1040925370.db2.gz GVLRSUWXRRMUTN-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1cnc2[nH]cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235424321 1040926932 /nfs/dbraw/zinc/92/69/32/1040926932.db2.gz GVXMKUBEIIYPJD-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP COc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1C ZINC001235463815 1040950040 /nfs/dbraw/zinc/95/00/40/1040950040.db2.gz LKNMRTMOQMHEOO-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255350040 1040955666 /nfs/dbraw/zinc/95/56/66/1040955666.db2.gz QIDIQFKFRSRYSS-CWJKEVGVSA-N 2 1 388.552 3.889 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001255380120 1040971457 /nfs/dbraw/zinc/97/14/57/1040971457.db2.gz QFQUUHDKSKRLQZ-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001255380120 1040971458 /nfs/dbraw/zinc/97/14/58/1040971458.db2.gz QFQUUHDKSKRLQZ-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255387633 1040976608 /nfs/dbraw/zinc/97/66/08/1040976608.db2.gz URPGJVLFPHOZTL-YUMYIRISSA-N 2 1 399.579 3.886 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC001255390564 1040978319 /nfs/dbraw/zinc/97/83/19/1040978319.db2.gz IXXABKZLUAWYFM-OAQYLSRUSA-N 2 1 386.511 3.995 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255389650 1040978448 /nfs/dbraw/zinc/97/84/48/1040978448.db2.gz OVXKNCWFXNRPGS-OAQYLSRUSA-N 2 1 386.561 3.625 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255389650 1040978451 /nfs/dbraw/zinc/97/84/51/1040978451.db2.gz OVXKNCWFXNRPGS-OAQYLSRUSA-N 2 1 386.561 3.625 20 0 GHADMP COc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC001255390372 1040978711 /nfs/dbraw/zinc/97/87/11/1040978711.db2.gz BRRWCBHTTVPHMM-FQEVSTJZSA-N 2 1 384.520 3.857 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3(Cc4ccccn4)CCOCC3)CC2)cc1 ZINC001255391565 1040979039 /nfs/dbraw/zinc/97/90/39/1040979039.db2.gz RWBWJPCKNIRCBZ-JOCHJYFZSA-N 2 1 379.548 3.818 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2cc4c(s2)CC[NH2+]C4)CC3)cc1 ZINC001235534861 1040979801 /nfs/dbraw/zinc/97/98/01/1040979801.db2.gz AYVUAIDBYJDDOR-UHFFFAOYSA-N 2 1 394.519 3.591 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3(c4ccncc4)CCOCC3)CC2)cc1 ZINC001255391830 1040979896 /nfs/dbraw/zinc/97/98/96/1040979896.db2.gz CPNYNNJLBAMVEF-HSZRJFAPSA-N 2 1 379.548 3.774 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@@H]3CCC[N@H+](Cc4ccccc4)CC3)cn21 ZINC001255392775 1040981643 /nfs/dbraw/zinc/98/16/43/1040981643.db2.gz LIXNCQUIKCVRQC-OAQYLSRUSA-N 2 1 377.536 3.997 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)cn21 ZINC001255392775 1040981648 /nfs/dbraw/zinc/98/16/48/1040981648.db2.gz LIXNCQUIKCVRQC-OAQYLSRUSA-N 2 1 377.536 3.997 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255395011 1040982265 /nfs/dbraw/zinc/98/22/65/1040982265.db2.gz XTADIHPAGRLDOG-FQEVSTJZSA-N 2 1 381.520 3.529 20 0 GHADMP CN(C)C(=O)c1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255398177 1040984100 /nfs/dbraw/zinc/98/41/00/1040984100.db2.gz SSTXFUADQITVOM-QHCPKHFHSA-N 2 1 379.548 3.575 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255399814 1040987013 /nfs/dbraw/zinc/98/70/13/1040987013.db2.gz ZYXAVKVUFOJMDH-YSFYHYPLSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255399814 1040987019 /nfs/dbraw/zinc/98/70/19/1040987019.db2.gz ZYXAVKVUFOJMDH-YSFYHYPLSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255399814 1040987025 /nfs/dbraw/zinc/98/70/25/1040987025.db2.gz ZYXAVKVUFOJMDH-YSFYHYPLSA-N 2 1 399.579 3.744 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(C[C@H]([NH3+])Cc3ccccc3)C[C@H]21 ZINC001235559672 1040988344 /nfs/dbraw/zinc/98/83/44/1040988344.db2.gz OPYMLMSPRLSPNF-KKSHJYNMSA-N 2 1 383.605 3.850 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402472 1040989134 /nfs/dbraw/zinc/98/91/34/1040989134.db2.gz JLSUZGKTJGDWSF-HJOGWXRNSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402472 1040989142 /nfs/dbraw/zinc/98/91/42/1040989142.db2.gz JLSUZGKTJGDWSF-HJOGWXRNSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402472 1040989144 /nfs/dbraw/zinc/98/91/44/1040989144.db2.gz JLSUZGKTJGDWSF-HJOGWXRNSA-N 2 1 384.564 3.701 20 0 GHADMP CN(C)C(=O)N1CCCC12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402966 1040989597 /nfs/dbraw/zinc/98/95/97/1040989597.db2.gz PYRJBDXRGBGADY-JOCHJYFZSA-N 2 1 398.595 3.653 20 0 GHADMP FC(F)(F)c1ccccc1CC[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235565099 1040991132 /nfs/dbraw/zinc/99/11/32/1040991132.db2.gz ISIYORGJVFPLBX-UHFFFAOYSA-N 2 1 392.469 3.992 20 0 GHADMP c1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3[C@@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255406420 1040993759 /nfs/dbraw/zinc/99/37/59/1040993759.db2.gz SBTGTCYBPPQBMU-DSITVLBTSA-N 2 1 375.560 4.000 20 0 GHADMP c1ccc(CN2C[C@@H]3C[C@H]2C[NH+]3[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255406420 1040993762 /nfs/dbraw/zinc/99/37/62/1040993762.db2.gz SBTGTCYBPPQBMU-DSITVLBTSA-N 2 1 375.560 4.000 20 0 GHADMP c1ccc(CN2C[C@@H]3C[C@H]2C[NH+]3[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255406420 1040993764 /nfs/dbraw/zinc/99/37/64/1040993764.db2.gz SBTGTCYBPPQBMU-DSITVLBTSA-N 2 1 375.560 4.000 20 0 GHADMP CC(C)(C)OC(=O)NCCC1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255406440 1040994032 /nfs/dbraw/zinc/99/40/32/1040994032.db2.gz SJNZAJFPFBZOQN-OAQYLSRUSA-N 2 1 387.568 3.888 20 0 GHADMP COc1cccc(O[C@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255409549 1040996974 /nfs/dbraw/zinc/99/69/74/1040996974.db2.gz HAWZULHNZWVHIP-RTWAWAEBSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255409549 1040996985 /nfs/dbraw/zinc/99/69/85/1040996985.db2.gz HAWZULHNZWVHIP-RTWAWAEBSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255409549 1040996987 /nfs/dbraw/zinc/99/69/87/1040996987.db2.gz HAWZULHNZWVHIP-RTWAWAEBSA-N 2 1 381.520 3.598 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409420 1040997083 /nfs/dbraw/zinc/99/70/83/1040997083.db2.gz XVNCKDTXRMTNLL-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409420 1040997089 /nfs/dbraw/zinc/99/70/89/1040997089.db2.gz XVNCKDTXRMTNLL-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409420 1040997100 /nfs/dbraw/zinc/99/71/00/1040997100.db2.gz XVNCKDTXRMTNLL-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(c2)C[NH2+]C4)CC3)c1 ZINC001235590932 1041002173 /nfs/dbraw/zinc/00/21/73/1041002173.db2.gz HFXHYLYERCDWJV-UHFFFAOYSA-N 3 1 391.559 3.787 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5c4CCN5)CC3)C2)cc1 ZINC001235611816 1041028994 /nfs/dbraw/zinc/02/89/94/1041028994.db2.gz ZLJCNEXZMXXSCD-UHFFFAOYSA-N 2 1 391.559 3.830 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](CCC[NH2+]C4CCCCC4)C3)CC2=O)s1 ZINC001235612953 1041034007 /nfs/dbraw/zinc/03/40/07/1041034007.db2.gz SPWGBJRDMDEYRR-OAQYLSRUSA-N 2 1 375.582 3.798 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+](CCC[NH2+]C4CCCCC4)C3)CC2=O)s1 ZINC001235612953 1041034043 /nfs/dbraw/zinc/03/40/43/1041034043.db2.gz SPWGBJRDMDEYRR-OAQYLSRUSA-N 2 1 375.582 3.798 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)CCO1 ZINC001255542476 1041119672 /nfs/dbraw/zinc/11/96/72/1041119672.db2.gz HMPNLNSSFXYCRK-ICSRJNTNSA-N 2 1 379.495 3.572 20 0 GHADMP CC1(C)C[C@@H](N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542476 1041119682 /nfs/dbraw/zinc/11/96/82/1041119682.db2.gz HMPNLNSSFXYCRK-ICSRJNTNSA-N 2 1 379.495 3.572 20 0 GHADMP CC1(C)C[C@@H](N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542476 1041119694 /nfs/dbraw/zinc/11/96/94/1041119694.db2.gz HMPNLNSSFXYCRK-ICSRJNTNSA-N 2 1 379.495 3.572 20 0 GHADMP Fc1ccc(F)c(O[C@H]2CC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235687744 1041157218 /nfs/dbraw/zinc/15/72/18/1041157218.db2.gz IIIUMOLDAPYQKV-SFHVURJKSA-N 2 1 383.442 3.676 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCC3(CC2)OCCO3)CC1 ZINC001255625370 1041177600 /nfs/dbraw/zinc/17/76/00/1041177600.db2.gz NGKIYYLMPXQRDM-UHFFFAOYSA-N 2 1 387.911 3.696 20 0 GHADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521881 1070326507 /nfs/dbraw/zinc/32/65/07/1070326507.db2.gz JVDDDEDAPSEHBR-CTNGQTDRSA-N 2 1 385.552 3.506 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521881 1070326524 /nfs/dbraw/zinc/32/65/24/1070326524.db2.gz JVDDDEDAPSEHBR-CTNGQTDRSA-N 2 1 385.552 3.506 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521881 1070326543 /nfs/dbraw/zinc/32/65/43/1070326543.db2.gz JVDDDEDAPSEHBR-CTNGQTDRSA-N 2 1 385.552 3.506 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521881 1070326561 /nfs/dbraw/zinc/32/65/61/1070326561.db2.gz JVDDDEDAPSEHBR-CTNGQTDRSA-N 2 1 385.552 3.506 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC001462521881 1070326580 /nfs/dbraw/zinc/32/65/80/1070326580.db2.gz JVDDDEDAPSEHBR-CTNGQTDRSA-N 2 1 385.552 3.506 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235762286 1041252470 /nfs/dbraw/zinc/25/24/70/1041252470.db2.gz RJDFKFJZYBOWGB-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP CC1(N2CC[NH+](Cc3ccccc3Oc3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC001235815192 1041328826 /nfs/dbraw/zinc/32/88/26/1041328826.db2.gz JVSKWEZRSGYRQN-UHFFFAOYSA-N 2 1 383.511 3.878 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1 ZINC001255958740 1041436101 /nfs/dbraw/zinc/43/61/01/1041436101.db2.gz FQYSZBXRYHLPTC-IBGZPJMESA-N 2 1 398.599 3.629 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001255960948 1041440022 /nfs/dbraw/zinc/44/00/22/1041440022.db2.gz KABVZOUZCMWTPP-NHCUHLMSSA-N 2 1 389.584 3.700 20 0 GHADMP CCOc1c(Cl)cc(C[N@H+](CCCOC)C2CC[NH2+]CC2)cc1Cl ZINC001235940412 1041445722 /nfs/dbraw/zinc/44/57/22/1041445722.db2.gz QUNJODQYKVZXJO-UHFFFAOYSA-N 2 1 375.340 3.983 20 0 GHADMP CCOc1c(Cl)cc(C[N@@H+](CCCOC)C2CC[NH2+]CC2)cc1Cl ZINC001235940412 1041445730 /nfs/dbraw/zinc/44/57/30/1041445730.db2.gz QUNJODQYKVZXJO-UHFFFAOYSA-N 2 1 375.340 3.983 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001235948292 1041453640 /nfs/dbraw/zinc/45/36/40/1041453640.db2.gz LJRZXEQSSBPLBK-QFIPXVFZSA-N 2 1 385.577 3.975 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCO[C@](C)(c2ccc(C)cc2)C1 ZINC001235948292 1041453656 /nfs/dbraw/zinc/45/36/56/1041453656.db2.gz LJRZXEQSSBPLBK-QFIPXVFZSA-N 2 1 385.577 3.975 20 0 GHADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001235950216 1041454201 /nfs/dbraw/zinc/45/42/01/1041454201.db2.gz UZUOKFYWPJJSAH-UHFFFAOYSA-N 2 1 377.454 3.743 20 0 GHADMP COc1ccc2c(OC)ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c2c1 ZINC001236009287 1041499991 /nfs/dbraw/zinc/49/99/91/1041499991.db2.gz FHWJIBVJAPQOQB-NLFFAJNJSA-N 2 1 388.511 3.830 20 0 GHADMP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256069338 1041505185 /nfs/dbraw/zinc/50/51/85/1041505185.db2.gz AROPKGUQKCNGQP-OAQYLSRUSA-N 2 1 385.552 3.565 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c2c(OC)cccc12 ZINC001236012762 1041505862 /nfs/dbraw/zinc/50/58/62/1041505862.db2.gz QCPPICVOGJADFG-NLFFAJNJSA-N 2 1 388.511 3.830 20 0 GHADMP Fc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001236065817 1041518713 /nfs/dbraw/zinc/51/87/13/1041518713.db2.gz IXIBZGCZFXBIED-UHFFFAOYSA-N 2 1 399.457 3.874 20 0 GHADMP FC(F)(F)c1cccc2c1C[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001236086592 1041527423 /nfs/dbraw/zinc/52/74/23/1041527423.db2.gz LWFOREMHCOGBRZ-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP FC(F)(F)c1cccc2c1C[N@@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001236086592 1041527437 /nfs/dbraw/zinc/52/74/37/1041527437.db2.gz LWFOREMHCOGBRZ-UHFFFAOYSA-N 2 1 389.465 3.669 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC001256138253 1041574905 /nfs/dbraw/zinc/57/49/05/1041574905.db2.gz BQTOWWOSJKBRGF-QGZVFWFLSA-N 2 1 386.337 3.832 20 0 GHADMP C[C@@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cnc2n1CC[NH2+]CC2 ZINC001236161727 1041583695 /nfs/dbraw/zinc/58/36/95/1041583695.db2.gz QZWHLVNPLYUOFV-YADARESESA-N 2 1 390.531 3.669 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(I)c(F)c2F)CC1 ZINC001236213385 1041624784 /nfs/dbraw/zinc/62/47/84/1041624784.db2.gz REZPZLPOWFUPTI-UHFFFAOYSA-N 2 1 394.247 3.532 20 0 GHADMP Nc1cc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)c(Br)cn1 ZINC001236228820 1041634194 /nfs/dbraw/zinc/63/41/94/1041634194.db2.gz PWILMDLHJLRRPS-UHFFFAOYSA-N 2 1 389.341 3.698 20 0 GHADMP c1c(C[NH+]2CCN(C3(c4ccccc4)CC3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001236229514 1041634301 /nfs/dbraw/zinc/63/43/01/1041634301.db2.gz FCYCXJWVJSHSOX-UHFFFAOYSA-N 2 1 386.543 3.551 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C[C@@H]2Cc4ccccc4C[NH2+]2)C3)cc1 ZINC001236241429 1041640268 /nfs/dbraw/zinc/64/02/68/1041640268.db2.gz SGRFMBVLDVGMMZ-DQEYMECFSA-N 2 1 375.560 3.689 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cccc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)c1 ZINC001236259089 1041645147 /nfs/dbraw/zinc/64/51/47/1041645147.db2.gz QRLCQMILXRIXCU-HSZRJFAPSA-N 2 1 384.495 3.912 20 0 GHADMP Cc1nc(Cl)c(CC[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c(Cl)n1 ZINC001236285145 1041659402 /nfs/dbraw/zinc/65/94/02/1041659402.db2.gz BSDORODOQDZTBX-UHFFFAOYSA-N 2 1 379.335 3.889 20 0 GHADMP [NH3+]CCNC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001236303848 1041666111 /nfs/dbraw/zinc/66/61/11/1041666111.db2.gz SJMXYMJRZSXBSJ-LJQANCHMSA-N 2 1 391.437 3.731 20 0 GHADMP CC(C)(C)OC(=O)NCC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304572 1041666123 /nfs/dbraw/zinc/66/61/23/1041666123.db2.gz KUOYIHDPUZQHID-UHFFFAOYSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256288235 1041685704 /nfs/dbraw/zinc/68/57/04/1041685704.db2.gz PYOSASFFNIWHAY-UAPYVXQJSA-N 2 1 388.556 3.553 20 0 GHADMP Brc1cccn2c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cnc12 ZINC001236375937 1041687454 /nfs/dbraw/zinc/68/74/54/1041687454.db2.gz OFXSQASOUQQDFU-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP COc1cccc(-c2ncc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cn2)c1 ZINC001236376924 1041688510 /nfs/dbraw/zinc/68/85/10/1041688510.db2.gz WAPWURIXDOXUKJ-SFHVURJKSA-N 2 1 380.536 3.896 20 0 GHADMP CC(C)c1cc(C[N@@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)ccc1Cl ZINC001236400353 1041702545 /nfs/dbraw/zinc/70/25/45/1041702545.db2.gz CCPSZZGLIGAXHS-UHFFFAOYSA-N 2 1 394.003 3.597 20 0 GHADMP CC[N@H+](Cc1cc(Br)cc(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236407997 1041704874 /nfs/dbraw/zinc/70/48/74/1041704874.db2.gz IYZMNKJLJOSIOT-LLVKDONJSA-N 2 1 376.136 3.643 20 0 GHADMP COc1ccc(C[N@@H+](CCCCNC(=O)OC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001236440413 1041712646 /nfs/dbraw/zinc/71/26/46/1041712646.db2.gz MHJAEWIRDKOLGF-UHFFFAOYSA-N 2 1 391.556 3.554 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)c1C ZINC001236443111 1041715413 /nfs/dbraw/zinc/71/54/13/1041715413.db2.gz TVORSNDFRDNSJZ-UHFFFAOYSA-N 2 1 399.535 3.571 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)c1C ZINC001236443111 1041715416 /nfs/dbraw/zinc/71/54/16/1041715416.db2.gz TVORSNDFRDNSJZ-UHFFFAOYSA-N 2 1 399.535 3.571 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN(Cc2ccccn2)C2CC[NH2+]CC2)cc1 ZINC001236447221 1041717151 /nfs/dbraw/zinc/71/71/51/1041717151.db2.gz IQQFIHVRUYCUBJ-DEOSSOPVSA-N 2 1 378.564 3.690 20 0 GHADMP CC(C)(C)C[N@H+](Cc1cn2ccc(Br)cc2n1)C1CC[NH2+]CC1 ZINC001236457934 1041721416 /nfs/dbraw/zinc/72/14/16/1041721416.db2.gz RMIVMZNRCMXCFU-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cn2ccc(Br)cc2n1)C1CC[NH2+]CC1 ZINC001236457934 1041721420 /nfs/dbraw/zinc/72/14/20/1041721420.db2.gz RMIVMZNRCMXCFU-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CCOCC[N@@H+](Cc1c[nH]c2cc(F)c(Br)cc12)C1CC[NH2+]CC1 ZINC001236464432 1041725775 /nfs/dbraw/zinc/72/57/75/1041725775.db2.gz DTERSZHXUBLTRC-UHFFFAOYSA-N 2 1 398.320 3.660 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3c(c2)CCCO3)C2CC[NH2+]CC2)c1 ZINC001236464298 1041725874 /nfs/dbraw/zinc/72/58/74/1041725874.db2.gz DLNKAUJRAXBKPV-UHFFFAOYSA-N 2 1 394.515 3.552 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3c(c2)CCCO3)C2CC[NH2+]CC2)c1 ZINC001236464298 1041725880 /nfs/dbraw/zinc/72/58/80/1041725880.db2.gz DLNKAUJRAXBKPV-UHFFFAOYSA-N 2 1 394.515 3.552 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cc(C)c(O)cc2C)C2CC[NH2+]CC2)c1 ZINC001236464180 1041726380 /nfs/dbraw/zinc/72/63/80/1041726380.db2.gz BWMRKYNVVIKYAE-UHFFFAOYSA-N 2 1 382.504 3.550 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)c(O)cc2C)C2CC[NH2+]CC2)c1 ZINC001236464180 1041726392 /nfs/dbraw/zinc/72/63/92/1041726392.db2.gz BWMRKYNVVIKYAE-UHFFFAOYSA-N 2 1 382.504 3.550 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cn(C)c3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236465342 1041727413 /nfs/dbraw/zinc/72/74/13/1041727413.db2.gz RXJIURDNHGOHAE-UHFFFAOYSA-N 2 1 391.515 3.719 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cn(C)c3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236465342 1041727419 /nfs/dbraw/zinc/72/74/19/1041727419.db2.gz RXJIURDNHGOHAE-UHFFFAOYSA-N 2 1 391.515 3.719 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236482642 1041735517 /nfs/dbraw/zinc/73/55/17/1041735517.db2.gz JLMNLSRQANKOJQ-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236482642 1041735522 /nfs/dbraw/zinc/73/55/22/1041735522.db2.gz JLMNLSRQANKOJQ-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001236534030 1041755513 /nfs/dbraw/zinc/75/55/13/1041755513.db2.gz NICMXAQGEMXUDP-UFYCRDLUSA-N 2 1 376.516 3.973 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544134 1041757517 /nfs/dbraw/zinc/75/75/17/1041757517.db2.gz CIPFLSKLFRSMGQ-WGSAOQKQSA-N 3 1 385.577 3.675 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc3c2OCCO3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544678 1041757562 /nfs/dbraw/zinc/75/75/62/1041757562.db2.gz HXZMOBJUCNBYBH-MXVIHJGJSA-N 2 1 382.504 3.739 20 0 GHADMP CC[NH+](CC)Cc1cc(C)ccc1-c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001236559364 1041762387 /nfs/dbraw/zinc/76/23/87/1041762387.db2.gz HBVLDQOTVHFOBL-UHFFFAOYSA-N 2 1 379.548 3.891 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236564970 1041765104 /nfs/dbraw/zinc/76/51/04/1041765104.db2.gz RKETVJJUWVLDII-QAQDUYKDSA-N 2 1 394.441 3.835 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)c(OCc2ccccc2)cc1C ZINC001236622922 1041788773 /nfs/dbraw/zinc/78/87/73/1041788773.db2.gz QSQYJZOAQDTXPS-XMMPIXPASA-N 2 1 393.575 3.880 20 0 GHADMP Brc1cc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)ccc1-n1ccnc1 ZINC001236636671 1041796644 /nfs/dbraw/zinc/79/66/44/1041796644.db2.gz HMMXTLRJSNRDJB-UHFFFAOYSA-N 2 1 389.341 3.741 20 0 GHADMP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cccc4sccc43)CC2)CC1 ZINC001236678810 1041823872 /nfs/dbraw/zinc/82/38/72/1041823872.db2.gz HQDVJZAOUPJXIH-UHFFFAOYSA-N 2 1 385.577 3.666 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722483 1041856658 /nfs/dbraw/zinc/85/66/58/1041856658.db2.gz KWLLJBFYZUGROI-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2cccc(-n3cncn3)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236725771 1041858232 /nfs/dbraw/zinc/85/82/32/1041858232.db2.gz AVNISBLXHKDDCG-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@H]12 ZINC001236832660 1041921551 /nfs/dbraw/zinc/92/15/51/1041921551.db2.gz WOZRVYQREDYIDX-BPQIPLTHSA-N 2 1 377.410 3.816 20 0 GHADMP C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C1CC[NH+](C2CCCCC2)CC1 ZINC001236847682 1041926967 /nfs/dbraw/zinc/92/69/67/1041926967.db2.gz LFVBYROFLHVKJK-UHFFFAOYSA-N 3 1 380.580 3.973 20 0 GHADMP CN(Cc1cn2c3c1cccc3C[NH2+]CC2)C1CC[NH+](C2CCCCC2)CC1 ZINC001236847682 1041926969 /nfs/dbraw/zinc/92/69/69/1041926969.db2.gz LFVBYROFLHVKJK-UHFFFAOYSA-N 2 1 380.580 3.973 20 0 GHADMP CC[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001236886599 1041940375 /nfs/dbraw/zinc/94/03/75/1041940375.db2.gz FUKIOKVUHKNZNM-HXUWFJFHSA-N 2 1 381.564 3.900 20 0 GHADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236892737 1041942589 /nfs/dbraw/zinc/94/25/89/1041942589.db2.gz FZJSTIVIFTUHSC-QHCPKHFHSA-N 2 1 379.548 3.922 20 0 GHADMP COc1ccc([C@@H]2CC[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001236965649 1041971938 /nfs/dbraw/zinc/97/19/38/1041971938.db2.gz BLOLDYZRCXMHQB-HXUWFJFHSA-N 2 1 383.511 3.576 20 0 GHADMP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001236965649 1041971942 /nfs/dbraw/zinc/97/19/42/1041971942.db2.gz BLOLDYZRCXMHQB-HXUWFJFHSA-N 2 1 383.511 3.576 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCC3(CCC3)C2)CC1 ZINC001237096546 1042033413 /nfs/dbraw/zinc/03/34/13/1042033413.db2.gz QELHKBYBEXQIJH-UHFFFAOYSA-N 2 1 378.358 3.577 20 0 GHADMP COC(=O)c1ccc(C[N@H+](CC[C@H]2COC(C)(C)N2)Cc2ccccc2)cc1 ZINC001237408918 1042195314 /nfs/dbraw/zinc/19/53/14/1042195314.db2.gz DPHYLPUAIRGOGO-NRFANRHFSA-N 2 1 382.504 3.590 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001237414737 1042197980 /nfs/dbraw/zinc/19/79/80/1042197980.db2.gz NNVKJZVUOMMRFL-YADHBBJMSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237414737 1042197984 /nfs/dbraw/zinc/19/79/84/1042197984.db2.gz NNVKJZVUOMMRFL-YADHBBJMSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237414737 1042197990 /nfs/dbraw/zinc/19/79/90/1042197990.db2.gz NNVKJZVUOMMRFL-YADHBBJMSA-N 2 1 377.532 3.989 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ccccn3n1)CC2 ZINC001237440353 1042208735 /nfs/dbraw/zinc/20/87/35/1042208735.db2.gz AHIVTVRBCRALNN-QHCPKHFHSA-N 2 1 390.531 3.590 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001237485934 1042229638 /nfs/dbraw/zinc/22/96/38/1042229638.db2.gz RJCHMQMVHRDYCH-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001237485934 1042229641 /nfs/dbraw/zinc/22/96/41/1042229641.db2.gz RJCHMQMVHRDYCH-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001237485934 1042229643 /nfs/dbraw/zinc/22/96/43/1042229643.db2.gz RJCHMQMVHRDYCH-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP COc1c(C)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001237500633 1042238505 /nfs/dbraw/zinc/23/85/05/1042238505.db2.gz JBCLTDAFIMZTNS-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cccc(C(N)=O)c4)CC3)C2)cc1 ZINC001237691882 1042328359 /nfs/dbraw/zinc/32/83/59/1042328359.db2.gz APVVBPCFVUOWQY-UHFFFAOYSA-N 2 1 391.559 3.972 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748998 1042351710 /nfs/dbraw/zinc/35/17/10/1042351710.db2.gz HSLWZTJDCHFQRD-WTIAFYNJSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748998 1042351714 /nfs/dbraw/zinc/35/17/14/1042351714.db2.gz HSLWZTJDCHFQRD-WTIAFYNJSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748998 1042351718 /nfs/dbraw/zinc/35/17/18/1042351718.db2.gz HSLWZTJDCHFQRD-WTIAFYNJSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238103116 1042493097 /nfs/dbraw/zinc/49/30/97/1042493097.db2.gz ADGAAEQNOVYRGX-HSZRJFAPSA-N 3 1 390.531 3.590 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3cncn31)CC2 ZINC001238103116 1042493101 /nfs/dbraw/zinc/49/31/01/1042493101.db2.gz ADGAAEQNOVYRGX-HSZRJFAPSA-N 2 1 390.531 3.590 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3cncn31)CC2 ZINC001238103116 1042493103 /nfs/dbraw/zinc/49/31/03/1042493103.db2.gz ADGAAEQNOVYRGX-HSZRJFAPSA-N 2 1 390.531 3.590 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc(F)c(OC)c2)CC3)c1 ZINC001238451278 1042600442 /nfs/dbraw/zinc/60/04/42/1042600442.db2.gz JPMMPVZZKQZFCL-UHFFFAOYSA-N 2 1 399.510 3.726 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1-c1ccc(F)cc1F ZINC001238577881 1042645790 /nfs/dbraw/zinc/64/57/90/1042645790.db2.gz CSPACNORZGKUJI-XZOQPEGZSA-N 2 1 385.502 3.842 20 0 GHADMP C[NH+]1CCN(Cc2cccc(-c3ccccc3CO[C@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC001240306403 1042920210 /nfs/dbraw/zinc/92/02/10/1042920210.db2.gz XAWVQDOPCBMPPQ-DQEYMECFSA-N 2 1 393.575 3.888 20 0 GHADMP COc1ccc(-c2ccc(CN3CC[NH+](C)CC3)cc2)cc1C[NH+]1CCCC1 ZINC001240414879 1042927743 /nfs/dbraw/zinc/92/77/43/1042927743.db2.gz FNCZSLDNTCDNSP-UHFFFAOYSA-N 2 1 379.548 3.705 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291562511 1043344801 /nfs/dbraw/zinc/34/48/01/1043344801.db2.gz GPOBGNPMKVXHQU-RBUKOAKNSA-N 2 1 392.636 3.833 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256524997 1043450341 /nfs/dbraw/zinc/45/03/41/1043450341.db2.gz XTGPZJBKHXMGOI-FYKMYLNBSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256524997 1043450360 /nfs/dbraw/zinc/45/03/60/1043450360.db2.gz XTGPZJBKHXMGOI-FYKMYLNBSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2OCCc3cn(CC4CC4)nc32)CC[N@@H+]1Cc1ccccc1 ZINC001256524958 1043450542 /nfs/dbraw/zinc/45/05/42/1043450542.db2.gz XLTPXGIEJGZBKL-YSZBQJHXSA-N 2 1 394.563 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2OCCc3cn(CC4CC4)nc32)CC[N@H+]1Cc1ccccc1 ZINC001256524958 1043450553 /nfs/dbraw/zinc/45/05/53/1043450553.db2.gz XLTPXGIEJGZBKL-YSZBQJHXSA-N 2 1 394.563 3.550 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531441 1043464997 /nfs/dbraw/zinc/46/49/97/1043464997.db2.gz HURATLCSJKZPMJ-ZTCOLXNVSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256531441 1043465005 /nfs/dbraw/zinc/46/50/05/1043465005.db2.gz HURATLCSJKZPMJ-ZTCOLXNVSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256535769 1043475514 /nfs/dbraw/zinc/47/55/14/1043475514.db2.gz CXRPTISTYMNXDG-CMKODMSKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256535769 1043475532 /nfs/dbraw/zinc/47/55/32/1043475532.db2.gz CXRPTISTYMNXDG-CMKODMSKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256535771 1043477890 /nfs/dbraw/zinc/47/78/90/1043477890.db2.gz CXRPTISTYMNXDG-NLWGTHIKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256535771 1043477895 /nfs/dbraw/zinc/47/78/95/1043477895.db2.gz CXRPTISTYMNXDG-NLWGTHIKSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256536564 1043479969 /nfs/dbraw/zinc/47/99/69/1043479969.db2.gz FCJWWKUVGZDVGC-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256536564 1043479993 /nfs/dbraw/zinc/47/99/93/1043479993.db2.gz FCJWWKUVGZDVGC-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256536564 1043480008 /nfs/dbraw/zinc/48/00/08/1043480008.db2.gz FCJWWKUVGZDVGC-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256536564 1043480024 /nfs/dbraw/zinc/48/00/24/1043480024.db2.gz FCJWWKUVGZDVGC-ZHHKINOHSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@H](N2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548591 1043509309 /nfs/dbraw/zinc/50/93/09/1043509309.db2.gz BLQRVDMVFFQCCQ-WIOPSUGQSA-N 2 1 377.576 3.900 20 0 GHADMP C[C@@H]1C[C@H](n2ncc3cc(N4CC[NH2+]CC4)ccc32)CC[N@H+]1Cc1ccccc1 ZINC001256552798 1043518359 /nfs/dbraw/zinc/51/83/59/1043518359.db2.gz DTLUILGJMHJXNA-AUSIDOKSSA-N 2 1 389.547 3.672 20 0 GHADMP C[C@H]1C[C@@H](N(c2ncccc2F)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552774 1043519106 /nfs/dbraw/zinc/51/91/06/1043519106.db2.gz CZMWKZVTMLLSJU-RXVVDRJESA-N 2 1 382.527 3.832 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256556679 1043525212 /nfs/dbraw/zinc/52/52/12/1043525212.db2.gz GEOHWYAZCFJJHM-IWTFSIHTSA-N 2 1 399.579 3.837 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256556679 1043525225 /nfs/dbraw/zinc/52/52/25/1043525225.db2.gz GEOHWYAZCFJJHM-IWTFSIHTSA-N 2 1 399.579 3.837 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256556679 1043525236 /nfs/dbraw/zinc/52/52/36/1043525236.db2.gz GEOHWYAZCFJJHM-IWTFSIHTSA-N 2 1 399.579 3.837 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256556679 1043525246 /nfs/dbraw/zinc/52/52/46/1043525246.db2.gz GEOHWYAZCFJJHM-IWTFSIHTSA-N 2 1 399.579 3.837 20 0 GHADMP COc1cc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)ccn1 ZINC001256557562 1043530136 /nfs/dbraw/zinc/53/01/36/1043530136.db2.gz MURZSQGFYAMMBR-TZIWHRDSSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)ccn1 ZINC001256557562 1043530138 /nfs/dbraw/zinc/53/01/38/1043530138.db2.gz MURZSQGFYAMMBR-TZIWHRDSSA-N 2 1 395.547 3.987 20 0 GHADMP [NH3+]CCCP(CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC001256602343 1043566257 /nfs/dbraw/zinc/56/62/57/1043566257.db2.gz VKJMNELBAPIEOP-UHFFFAOYSA-N 3 1 397.547 3.787 20 0 GHADMP c1csc(C[N@H+]2CC[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)CC[C@H]32)n1 ZINC001256607190 1043572352 /nfs/dbraw/zinc/57/23/52/1043572352.db2.gz KHAMWHOEWJSOLD-RBBKRZOGSA-N 2 1 396.604 3.704 20 0 GHADMP C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855906 1043704908 /nfs/dbraw/zinc/70/49/08/1043704908.db2.gz ZKSMYHGAGQGJBS-ZWKOTPCHSA-N 2 1 388.556 3.676 20 0 GHADMP C[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001256864243 1043708951 /nfs/dbraw/zinc/70/89/51/1043708951.db2.gz IGOKJWNXNGNSJA-QFIPXVFZSA-N 2 1 388.556 3.772 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256879313 1043717198 /nfs/dbraw/zinc/71/71/98/1043717198.db2.gz KHGZSENSFHITHZ-MRXNPFEDSA-N 2 1 384.490 3.923 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)[C@@H](F)C1 ZINC001256900556 1043729078 /nfs/dbraw/zinc/72/90/78/1043729078.db2.gz PBTMSEVUZFCPAU-AOIWGVFYSA-N 2 1 383.552 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)[C@@H](F)C1 ZINC001256900556 1043729081 /nfs/dbraw/zinc/72/90/81/1043729081.db2.gz PBTMSEVUZFCPAU-AOIWGVFYSA-N 2 1 383.552 3.578 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1)C1CCCCC1 ZINC001256910025 1043735227 /nfs/dbraw/zinc/73/52/27/1043735227.db2.gz WOGBXQRFPFPULS-NJDAHSKKSA-N 2 1 375.601 3.991 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1)C1CCCCC1 ZINC001256910025 1043735238 /nfs/dbraw/zinc/73/52/38/1043735238.db2.gz WOGBXQRFPFPULS-NJDAHSKKSA-N 2 1 375.601 3.991 20 0 GHADMP CC[C@](N)(CO)[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256925778 1043754978 /nfs/dbraw/zinc/75/49/78/1043754978.db2.gz NSRROWYBECRTAP-KXTRFFEISA-N 2 1 381.564 3.647 20 0 GHADMP CC(C)[C@H]1C[C@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1C(=O)OC(C)(C)C ZINC001257207267 1043937488 /nfs/dbraw/zinc/93/74/88/1043937488.db2.gz ZZOJVXZVEFYASS-RTBURBONSA-N 2 1 379.589 3.828 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccnc(Cl)c3)C[C@H]2CC1 ZINC001279003913 1043946623 /nfs/dbraw/zinc/94/66/23/1043946623.db2.gz BKRXCRHJXJCBFI-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]2CC1 ZINC001279003913 1043946627 /nfs/dbraw/zinc/94/66/27/1043946627.db2.gz BKRXCRHJXJCBFI-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]2CC1 ZINC001279003913 1043946634 /nfs/dbraw/zinc/94/66/34/1043946634.db2.gz BKRXCRHJXJCBFI-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccnc(Cl)c1)CC2 ZINC001279003929 1043946782 /nfs/dbraw/zinc/94/67/82/1043946782.db2.gz CGJXFCXZOUNFLS-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001257557071 1044041031 /nfs/dbraw/zinc/04/10/31/1044041031.db2.gz CJSZBIRMBAHOCN-OAHLLOKOSA-N 3 1 384.406 3.855 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)o1 ZINC001279031890 1044095281 /nfs/dbraw/zinc/09/52/81/1044095281.db2.gz VWQPXKDUPCURSV-UHFFFAOYSA-N 2 1 393.329 3.643 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)o1 ZINC001279031890 1044095296 /nfs/dbraw/zinc/09/52/96/1044095296.db2.gz VWQPXKDUPCURSV-UHFFFAOYSA-N 2 1 393.329 3.643 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[nH+]1 ZINC001293341380 1044124389 /nfs/dbraw/zinc/12/43/89/1044124389.db2.gz HTHBZYQTSZQMQY-LJQANCHMSA-N 2 1 377.492 3.711 20 0 GHADMP COC(=O)C1CCC([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)CC1 ZINC001257865394 1044229147 /nfs/dbraw/zinc/22/91/47/1044229147.db2.gz USSGXUPRPGFUGS-UHFFFAOYSA-N 2 1 387.911 3.742 20 0 GHADMP C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)CC1 ZINC001257971059 1044291201 /nfs/dbraw/zinc/29/12/01/1044291201.db2.gz SLZRKCOSWSVHEE-SFTDATJTSA-N 2 1 387.568 3.681 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258063257 1044375336 /nfs/dbraw/zinc/37/53/36/1044375336.db2.gz FHLCQGCJWZVJTD-RVPFZPFESA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001258063257 1044375354 /nfs/dbraw/zinc/37/53/54/1044375354.db2.gz FHLCQGCJWZVJTD-RVPFZPFESA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001258063257 1044375370 /nfs/dbraw/zinc/37/53/70/1044375370.db2.gz FHLCQGCJWZVJTD-RVPFZPFESA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001258063257 1044375384 /nfs/dbraw/zinc/37/53/84/1044375384.db2.gz FHLCQGCJWZVJTD-RVPFZPFESA-N 2 1 387.616 3.914 20 0 GHADMP CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140168 1044425938 /nfs/dbraw/zinc/42/59/38/1044425938.db2.gz SRLKBPWYGBSTCX-UHGJSFDGSA-N 2 1 387.568 3.729 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141489 1044427762 /nfs/dbraw/zinc/42/77/62/1044427762.db2.gz AWURCRPEAURUGQ-IFMALSPDSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258141489 1044427775 /nfs/dbraw/zinc/42/77/75/1044427775.db2.gz AWURCRPEAURUGQ-IFMALSPDSA-N 2 1 399.579 3.635 20 0 GHADMP COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143651 1044429402 /nfs/dbraw/zinc/42/94/02/1044429402.db2.gz OKWCQRAVUIRRTQ-ISKFKSNPSA-N 2 1 386.580 3.601 20 0 GHADMP COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143651 1044429414 /nfs/dbraw/zinc/42/94/14/1044429414.db2.gz OKWCQRAVUIRRTQ-ISKFKSNPSA-N 2 1 386.580 3.601 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)CC[C@H]21 ZINC001258143350 1044429504 /nfs/dbraw/zinc/42/95/04/1044429504.db2.gz LUNAUVMEHNGWMV-IFMALSPDSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)CC[C@H]21 ZINC001258143350 1044429514 /nfs/dbraw/zinc/42/95/14/1044429514.db2.gz LUNAUVMEHNGWMV-IFMALSPDSA-N 2 1 399.579 3.635 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001258142976 1044429748 /nfs/dbraw/zinc/42/97/48/1044429748.db2.gz DOWBPEHPUMLBAY-UHFFFAOYSA-N 2 1 377.576 3.901 20 0 GHADMP CCCCC(CCCC)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258385742 1044528194 /nfs/dbraw/zinc/52/81/94/1044528194.db2.gz KDIUGTOUMRSICT-OAQYLSRUSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCC(CCCC)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258385742 1044528208 /nfs/dbraw/zinc/52/82/08/1044528208.db2.gz KDIUGTOUMRSICT-OAQYLSRUSA-N 2 1 391.604 3.576 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCN(c4cccc(F)c4)CC3)C2)C1 ZINC001258422099 1044554499 /nfs/dbraw/zinc/55/44/99/1044554499.db2.gz NXPIEWRBKXJELR-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C3CCN(c4cccc(F)c4)CC3)C2)C1 ZINC001258422099 1044554511 /nfs/dbraw/zinc/55/45/11/1044554511.db2.gz NXPIEWRBKXJELR-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCN(c4cccc(F)c4)CC3)C2)C1 ZINC001258422099 1044554526 /nfs/dbraw/zinc/55/45/26/1044554526.db2.gz NXPIEWRBKXJELR-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C3CCN(c4cccc(F)c4)CC3)C2)C1 ZINC001258422099 1044554543 /nfs/dbraw/zinc/55/45/43/1044554543.db2.gz NXPIEWRBKXJELR-HSZRJFAPSA-N 2 1 389.559 3.617 20 0 GHADMP CC1(C)COC2(CCC([N@@H+](Cc3ccccn3)[C@H]3CC[C@H]([NH3+])CC3)CC2)OC1 ZINC001258522120 1044600287 /nfs/dbraw/zinc/60/02/87/1044600287.db2.gz VSOSGXLWDMFOSQ-KESTWPANSA-N 2 1 387.568 3.865 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258645456 1044685540 /nfs/dbraw/zinc/68/55/40/1044685540.db2.gz JRZSMDKMXXDRRS-UHFFFAOYSA-N 2 1 391.559 3.888 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001258645456 1044685558 /nfs/dbraw/zinc/68/55/58/1044685558.db2.gz JRZSMDKMXXDRRS-UHFFFAOYSA-N 2 1 391.559 3.888 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC001258863246 1044803335 /nfs/dbraw/zinc/80/33/35/1044803335.db2.gz ZFRVYSJKJMUHPJ-XLIONFOSSA-N 2 1 390.568 3.888 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC001258863246 1044803350 /nfs/dbraw/zinc/80/33/50/1044803350.db2.gz ZFRVYSJKJMUHPJ-XLIONFOSSA-N 2 1 390.568 3.888 20 0 GHADMP COc1cc(C[C@H](C)[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc(OC)c1OC ZINC001258872111 1044813299 /nfs/dbraw/zinc/81/32/99/1044813299.db2.gz NYSQGFDDJJUAAW-AZUAARDMSA-N 2 1 390.568 3.984 20 0 GHADMP CCn1ncc2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]2COCC1CC1 ZINC001258910100 1044863480 /nfs/dbraw/zinc/86/34/80/1044863480.db2.gz NRHUROFUFPQTMR-ICSRJNTNSA-N 2 1 376.589 3.739 20 0 GHADMP CC[NH+]1CCC(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)(c2ccccc2)CC1 ZINC001303725571 1047495912 /nfs/dbraw/zinc/49/59/12/1047495912.db2.gz NVERVVVIHCJKGH-UHFFFAOYSA-N 2 1 394.563 3.786 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1cnc(Cl)nc1)CC2 ZINC001279179652 1047737994 /nfs/dbraw/zinc/73/79/94/1047737994.db2.gz ZXSLHEWPJWRSOY-UHFFFAOYSA-N 2 1 376.854 3.760 20 0 GHADMP CSc1nccc(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)n1 ZINC001279186554 1047739663 /nfs/dbraw/zinc/73/96/63/1047739663.db2.gz MSCGAHKAVSVJQC-UHFFFAOYSA-N 2 1 388.503 3.829 20 0 GHADMP Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c(Cl)c1Cl ZINC001279301461 1047760172 /nfs/dbraw/zinc/76/01/72/1047760172.db2.gz IMYZLQLZCCJQKS-VQTJNVASSA-N 2 1 398.378 3.915 20 0 GHADMP Clc1ccc(Cl)c(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1 ZINC001279350860 1047777584 /nfs/dbraw/zinc/77/75/84/1047777584.db2.gz LXQWCIUSOAMRNU-UHFFFAOYSA-N 2 1 379.335 3.788 20 0 GHADMP Brc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001279384181 1047788275 /nfs/dbraw/zinc/78/82/75/1047788275.db2.gz NQFWUPYKVXPLJA-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001279384181 1047788278 /nfs/dbraw/zinc/78/82/78/1047788278.db2.gz NQFWUPYKVXPLJA-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001279384181 1047788281 /nfs/dbraw/zinc/78/82/81/1047788281.db2.gz NQFWUPYKVXPLJA-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Clc1cncc(Cl)c1C[NH+]1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279390340 1047790655 /nfs/dbraw/zinc/79/06/55/1047790655.db2.gz QWSFRDADWBQDRJ-UHFFFAOYSA-N 2 1 394.350 3.990 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1F ZINC001279447961 1047812487 /nfs/dbraw/zinc/81/24/87/1047812487.db2.gz WFNCHWQAQSCARY-UHFFFAOYSA-N 2 1 376.907 3.582 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCCC3(CN(CCCC(F)(F)F)C3)C2)CCCC1 ZINC001279492707 1047824012 /nfs/dbraw/zinc/82/40/12/1047824012.db2.gz OIUMUKRWHZRJHE-UHFFFAOYSA-N 2 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279498726 1047825405 /nfs/dbraw/zinc/82/54/05/1047825405.db2.gz MLZIRVRGXGMBCW-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279498726 1047825406 /nfs/dbraw/zinc/82/54/06/1047825406.db2.gz MLZIRVRGXGMBCW-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279498726 1047825410 /nfs/dbraw/zinc/82/54/10/1047825410.db2.gz MLZIRVRGXGMBCW-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279498726 1047825414 /nfs/dbraw/zinc/82/54/14/1047825414.db2.gz MLZIRVRGXGMBCW-LJQANCHMSA-N 2 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279498726 1047825421 /nfs/dbraw/zinc/82/54/21/1047825421.db2.gz MLZIRVRGXGMBCW-LJQANCHMSA-N 2 1 375.523 3.849 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1sc(=O)[nH]c1Cl)CC2 ZINC001279686979 1047914933 /nfs/dbraw/zinc/91/49/33/1047914933.db2.gz APFMAVONRNLDNS-UHFFFAOYSA-N 2 1 398.985 3.755 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305449485 1048061996 /nfs/dbraw/zinc/06/19/96/1048061996.db2.gz KPLZBHIBJTUMTO-MOPGFXCFSA-N 2 1 390.620 3.587 20 0 GHADMP CCSCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC[C@@H]2C1 ZINC001280174796 1048115998 /nfs/dbraw/zinc/11/59/98/1048115998.db2.gz FZXBBWTYNDYGJQ-BGYRXZFFSA-N 2 1 375.582 3.542 20 0 GHADMP CCSCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc(NC(C)=O)cc3)CC[C@@H]2C1 ZINC001280174796 1048116009 /nfs/dbraw/zinc/11/60/09/1048116009.db2.gz FZXBBWTYNDYGJQ-BGYRXZFFSA-N 2 1 375.582 3.542 20 0 GHADMP CCSCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc(NC(C)=O)cc3)CC[C@@H]2C1 ZINC001280174796 1048116017 /nfs/dbraw/zinc/11/60/17/1048116017.db2.gz FZXBBWTYNDYGJQ-BGYRXZFFSA-N 2 1 375.582 3.542 20 0 GHADMP COCC[C@@H](c1ccccc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307459256 1049296799 /nfs/dbraw/zinc/29/67/99/1049296799.db2.gz ROURKRLNERQKBW-DEOSSOPVSA-N 2 1 381.564 3.514 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC001307711096 1049526586 /nfs/dbraw/zinc/52/65/86/1049526586.db2.gz YKXGSCCDWJHLPH-AEFFLSMTSA-N 2 1 388.474 3.854 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC001307711096 1049526594 /nfs/dbraw/zinc/52/65/94/1049526594.db2.gz YKXGSCCDWJHLPH-AEFFLSMTSA-N 2 1 388.474 3.854 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)[C@H](C)C1 ZINC001307711096 1049526610 /nfs/dbraw/zinc/52/66/10/1049526610.db2.gz YKXGSCCDWJHLPH-AEFFLSMTSA-N 2 1 388.474 3.854 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)[NH+](C)C)cc1 ZINC001290309101 1049796534 /nfs/dbraw/zinc/79/65/34/1049796534.db2.gz ISNBJJBPHBJXTF-RTWAWAEBSA-N 2 1 387.955 3.924 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001308056453 1049804290 /nfs/dbraw/zinc/80/42/90/1049804290.db2.gz MVWBJXOENSQLJX-QHCPKHFHSA-N 2 1 385.596 3.618 20 0 GHADMP Cn1ccc([C@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1 ZINC001308087129 1049833799 /nfs/dbraw/zinc/83/37/99/1049833799.db2.gz QMOYIWUSBSRLFC-QHCPKHFHSA-N 2 1 380.580 3.944 20 0 GHADMP Cn1ccc([C@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1 ZINC001308087129 1049833812 /nfs/dbraw/zinc/83/38/12/1049833812.db2.gz QMOYIWUSBSRLFC-QHCPKHFHSA-N 2 1 380.580 3.944 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001308116448 1049860221 /nfs/dbraw/zinc/86/02/21/1049860221.db2.gz FDWCLLULYNTLHM-UHFFFAOYSA-N 2 1 378.561 3.616 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)C[N@H+]2C1 ZINC001290687293 1049901122 /nfs/dbraw/zinc/90/11/22/1049901122.db2.gz LZYGHHSEUCYMBP-WWPVKYPJSA-N 2 1 383.580 3.655 20 0 GHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC001308331412 1049951207 /nfs/dbraw/zinc/95/12/07/1049951207.db2.gz VVCDLPVIQKOLCJ-GOTSBHOMSA-N 2 1 380.532 3.733 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(Br)c1O ZINC001308367969 1049960092 /nfs/dbraw/zinc/96/00/92/1049960092.db2.gz KLWKGSCCGDBZBC-UKRRQHHQSA-N 2 1 397.357 3.906 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC001308489147 1049988601 /nfs/dbraw/zinc/98/86/01/1049988601.db2.gz WSPIQCXMSSBQQO-GHTZIAJQSA-N 2 1 398.547 3.960 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[C@H]1C ZINC001308548132 1050005194 /nfs/dbraw/zinc/00/51/94/1050005194.db2.gz MVNPTROBHHBNTD-PEVSYZRBSA-N 2 1 384.564 3.855 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001308682413 1050058419 /nfs/dbraw/zinc/05/84/19/1050058419.db2.gz UFPMIHAXCKIFEW-TYPHKJRUSA-N 2 1 385.552 3.640 20 0 GHADMP CCCC[N@H+](C)C[C@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001308794647 1050097068 /nfs/dbraw/zinc/09/70/68/1050097068.db2.gz AKXBZIRSGONERH-IBGZPJMESA-N 2 1 375.557 3.745 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001308794647 1050097072 /nfs/dbraw/zinc/09/70/72/1050097072.db2.gz AKXBZIRSGONERH-IBGZPJMESA-N 2 1 375.557 3.745 20 0 GHADMP c1nn(Cc2ccccc2)c2c1[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCC2 ZINC001327681347 1050251178 /nfs/dbraw/zinc/25/11/78/1050251178.db2.gz YQQGNMISWQGOOH-GMAHTHKFSA-N 2 1 394.563 3.542 20 0 GHADMP CN(C)Cc1cnc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001327693576 1050255091 /nfs/dbraw/zinc/25/50/91/1050255091.db2.gz WBNXDDMWPXQQRX-IHWFROFDSA-N 2 1 384.593 3.880 20 0 GHADMP C[NH+](C)Cc1cnc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001327693576 1050255104 /nfs/dbraw/zinc/25/51/04/1050255104.db2.gz WBNXDDMWPXQQRX-IHWFROFDSA-N 2 1 384.593 3.880 20 0 GHADMP C[NH+](C)Cc1cnc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001327693576 1050255119 /nfs/dbraw/zinc/25/51/19/1050255119.db2.gz WBNXDDMWPXQQRX-IHWFROFDSA-N 2 1 384.593 3.880 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001329139842 1050730326 /nfs/dbraw/zinc/73/03/26/1050730326.db2.gz BCHDAXBVGRTDAA-NHYNNZIHSA-N 2 1 394.559 3.910 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001330236714 1050982939 /nfs/dbraw/zinc/98/29/39/1050982939.db2.gz MOZUZKMQOKAOGP-YLJYHZDGSA-N 2 1 392.613 3.647 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001330565990 1051029476 /nfs/dbraw/zinc/02/94/76/1051029476.db2.gz NGZRFTJSZOMIHD-KBRMVUAJSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001330565990 1051029486 /nfs/dbraw/zinc/02/94/86/1051029486.db2.gz NGZRFTJSZOMIHD-KBRMVUAJSA-N 2 1 398.595 3.744 20 0 GHADMP Cc1c(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccc2c[nH+]cn21 ZINC001331146870 1051199635 /nfs/dbraw/zinc/19/96/35/1051199635.db2.gz LCICKAXYBBMPPO-FQEVSTJZSA-N 2 1 388.515 3.675 20 0 GHADMP [NH3+][C@H]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001332431877 1051519861 /nfs/dbraw/zinc/51/98/61/1051519861.db2.gz NBFIMVBKIWDGCK-ROUUACIJSA-N 2 1 384.351 3.592 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001311406694 1052112871 /nfs/dbraw/zinc/11/28/71/1052112871.db2.gz WIDGKFGDCVYHGG-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC001311537967 1052229936 /nfs/dbraw/zinc/22/99/36/1052229936.db2.gz SKDCCCXQYDYZPQ-FPOVZHCZSA-N 2 1 380.621 3.554 20 0 GHADMP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC001311537965 1052230278 /nfs/dbraw/zinc/23/02/78/1052230278.db2.gz SKDCCCXQYDYZPQ-CTNGQTDRSA-N 2 1 380.621 3.554 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC001311711579 1052348328 /nfs/dbraw/zinc/34/83/28/1052348328.db2.gz CRKAEKRSIJPRLX-UZKOGDIHSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001311711579 1052348336 /nfs/dbraw/zinc/34/83/36/1052348336.db2.gz CRKAEKRSIJPRLX-UZKOGDIHSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001311711579 1052348348 /nfs/dbraw/zinc/34/83/48/1052348348.db2.gz CRKAEKRSIJPRLX-UZKOGDIHSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC001311711576 1052348585 /nfs/dbraw/zinc/34/85/85/1052348585.db2.gz CRKAEKRSIJPRLX-CBQOVEMMSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001311711576 1052348591 /nfs/dbraw/zinc/34/85/91/1052348591.db2.gz CRKAEKRSIJPRLX-CBQOVEMMSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001311711576 1052348600 /nfs/dbraw/zinc/34/86/00/1052348600.db2.gz CRKAEKRSIJPRLX-CBQOVEMMSA-N 2 1 384.568 3.528 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001312656498 1052827713 /nfs/dbraw/zinc/82/77/13/1052827713.db2.gz BSUOBHCDWFGLGZ-NFBKMPQASA-N 2 1 394.563 3.514 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001312712858 1052845477 /nfs/dbraw/zinc/84/54/77/1052845477.db2.gz FYZVDNRONCNHMF-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(C)n1 ZINC001343871206 1054080385 /nfs/dbraw/zinc/08/03/85/1054080385.db2.gz JDFUCYLSTLSLNX-FRIKZZABSA-N 2 1 378.520 3.828 20 0 GHADMP Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(C)[nH+]1 ZINC001343871206 1054080402 /nfs/dbraw/zinc/08/04/02/1054080402.db2.gz JDFUCYLSTLSLNX-FRIKZZABSA-N 2 1 378.520 3.828 20 0 GHADMP Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(C)[nH+]1 ZINC001343871206 1054080413 /nfs/dbraw/zinc/08/04/13/1054080413.db2.gz JDFUCYLSTLSLNX-FRIKZZABSA-N 2 1 378.520 3.828 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001318474529 1054664453 /nfs/dbraw/zinc/66/44/53/1054664453.db2.gz ZBJDUOMUCFTDGM-GOTSBHOMSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001318474529 1054664462 /nfs/dbraw/zinc/66/44/62/1054664462.db2.gz ZBJDUOMUCFTDGM-GOTSBHOMSA-N 2 1 398.595 3.551 20 0 GHADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001318629324 1054759188 /nfs/dbraw/zinc/75/91/88/1054759188.db2.gz AFJHJRMDAGZRHC-CQSZACIVSA-N 2 1 382.335 3.979 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC001319717909 1055420742 /nfs/dbraw/zinc/42/07/42/1055420742.db2.gz NTOSJNOLMRQRDS-QGZVFWFLSA-N 2 1 379.614 3.838 20 0 GHADMP CC(C[NH+]1CC[C@H](Cc2nccs2)C1)C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC001355071477 1057040836 /nfs/dbraw/zinc/04/08/36/1057040836.db2.gz FMGCFOGDLHDJNW-QZTJIDSGSA-N 2 1 390.622 3.665 20 0 GHADMP COc1cccc(N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC001324000320 1057052650 /nfs/dbraw/zinc/05/26/50/1057052650.db2.gz RCOADJDXVUANAO-UHFFFAOYSA-N 2 1 393.575 3.961 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001324703800 1057207369 /nfs/dbraw/zinc/20/73/69/1057207369.db2.gz BPLMSETVHSBXPF-HLAWJBBLSA-N 2 1 377.523 3.606 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326031922 1057399042 /nfs/dbraw/zinc/39/90/42/1057399042.db2.gz WFFVQNZSLQRZOI-UHFFFAOYSA-N 2 1 391.559 3.924 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356138647 1057405175 /nfs/dbraw/zinc/40/51/75/1057405175.db2.gz LISAETUHKRNXLQ-QFIPXVFZSA-N 2 1 377.532 3.786 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001326461667 1057488378 /nfs/dbraw/zinc/48/83/78/1057488378.db2.gz KKZCYUYRUHVGMI-IBGZPJMESA-N 2 1 388.581 3.577 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001326584253 1057516506 /nfs/dbraw/zinc/51/65/06/1057516506.db2.gz SSWYGMZPGYMUES-AWEZNQCLSA-N 2 1 384.351 3.636 20 0 GHADMP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000849058721 1057570218 /nfs/dbraw/zinc/57/02/18/1057570218.db2.gz PFFCKVHPYVTFPZ-QFIPXVFZSA-N 2 1 379.552 3.564 20 0 GHADMP CCc1ccc(NC(=[NH2+])NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000849058721 1057570221 /nfs/dbraw/zinc/57/02/21/1057570221.db2.gz PFFCKVHPYVTFPZ-QFIPXVFZSA-N 2 1 379.552 3.564 20 0 GHADMP CCc1ccc(NC(=[NH2+])NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000849058721 1057570226 /nfs/dbraw/zinc/57/02/26/1057570226.db2.gz PFFCKVHPYVTFPZ-QFIPXVFZSA-N 2 1 379.552 3.564 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000849088281 1057589147 /nfs/dbraw/zinc/58/91/47/1057589147.db2.gz CBVZLVRYECLBNM-ZWKOTPCHSA-N 2 1 397.592 3.514 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CCCCC1 ZINC001440365338 1058502493 /nfs/dbraw/zinc/50/24/93/1058502493.db2.gz CDZAUVPCMISQJN-HXUWFJFHSA-N 2 1 375.532 3.561 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CCCCC1 ZINC001440365338 1058502514 /nfs/dbraw/zinc/50/25/14/1058502514.db2.gz CDZAUVPCMISQJN-HXUWFJFHSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4C[C@H](C)C[C@H](C)C4)cc3)C[N@H+]2C1 ZINC001441484514 1058792530 /nfs/dbraw/zinc/79/25/30/1058792530.db2.gz ULSJBXVVJXBSOV-FRXMWESWSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4C[C@H](C)C[C@H](C)C4)cc3)C[NH+]2C1 ZINC001441484514 1058792551 /nfs/dbraw/zinc/79/25/51/1058792551.db2.gz ULSJBXVVJXBSOV-FRXMWESWSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)C[NH+]2C1 ZINC001441484514 1058792570 /nfs/dbraw/zinc/79/25/70/1058792570.db2.gz ULSJBXVVJXBSOV-FRXMWESWSA-N 2 1 397.607 3.901 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001442668311 1058991610 /nfs/dbraw/zinc/99/16/10/1058991610.db2.gz URLMARPQAWAYEB-NRFANRHFSA-N 2 1 391.987 3.885 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001442668311 1058991617 /nfs/dbraw/zinc/99/16/17/1058991617.db2.gz URLMARPQAWAYEB-NRFANRHFSA-N 2 1 391.987 3.885 20 0 GHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001339582123 1059322155 /nfs/dbraw/zinc/32/21/55/1059322155.db2.gz CCWLEYWXIJXBTA-PMACEKPBSA-N 2 1 381.564 3.724 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001341757058 1060865977 /nfs/dbraw/zinc/86/59/77/1060865977.db2.gz IITZNNNFVOIYDM-LDBRAYGESA-N 2 1 393.934 3.510 20 0 GHADMP FC(F)CN1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001346855673 1061940958 /nfs/dbraw/zinc/94/09/58/1061940958.db2.gz RPDIIMVSKJEACO-IBGZPJMESA-N 2 1 377.523 3.608 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001455006309 1061974659 /nfs/dbraw/zinc/97/46/59/1061974659.db2.gz BPPKELJVWWKZRS-ZEQRLZLVSA-N 2 1 391.559 3.598 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006309 1061974661 /nfs/dbraw/zinc/97/46/61/1061974661.db2.gz BPPKELJVWWKZRS-ZEQRLZLVSA-N 2 1 391.559 3.598 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001455006309 1061974662 /nfs/dbraw/zinc/97/46/62/1061974662.db2.gz BPPKELJVWWKZRS-ZEQRLZLVSA-N 2 1 391.559 3.598 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001435317183 1062505566 /nfs/dbraw/zinc/50/55/66/1062505566.db2.gz UPDPAEPIOHMAEY-GOSISDBHSA-N 2 1 399.501 3.678 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001435321320 1062508325 /nfs/dbraw/zinc/50/83/25/1062508325.db2.gz ALSIJWORPQJRKM-UARRHKHWSA-N 2 1 397.607 3.914 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](CC(C)C)C3)cc2)CC1 ZINC001459766943 1064207658 /nfs/dbraw/zinc/20/76/58/1064207658.db2.gz MKZGDKFXMXMUME-FQEVSTJZSA-N 2 1 386.584 3.525 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC001459787515 1064217337 /nfs/dbraw/zinc/21/73/37/1064217337.db2.gz JLROAWBEADWTOV-UHFFFAOYSA-N 3 1 398.639 3.663 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001463771244 1064602725 /nfs/dbraw/zinc/60/27/25/1064602725.db2.gz KFUNLQQLLUOYOJ-XMMPIXPASA-N 2 1 391.559 3.811 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1cccc(OC)c1 ZINC001463909766 1064713069 /nfs/dbraw/zinc/71/30/69/1064713069.db2.gz AGDZDTWFFLDUSI-FGZHOGPDSA-N 2 1 387.568 3.601 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C1CCCCC1 ZINC001463984480 1064753409 /nfs/dbraw/zinc/75/34/09/1064753409.db2.gz LNRHXMGJTPMOEJ-YADHBBJMSA-N 2 1 389.559 3.807 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)C1CCCCC1 ZINC001463984480 1064753423 /nfs/dbraw/zinc/75/34/23/1064753423.db2.gz LNRHXMGJTPMOEJ-YADHBBJMSA-N 2 1 389.559 3.807 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001464553244 1065078181 /nfs/dbraw/zinc/07/81/81/1065078181.db2.gz QOPXBICUSRJOQO-KNQAVFIVSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001464553244 1065078192 /nfs/dbraw/zinc/07/81/92/1065078192.db2.gz QOPXBICUSRJOQO-KNQAVFIVSA-N 2 1 399.966 3.971 20 0 GHADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC001464643019 1065130754 /nfs/dbraw/zinc/13/07/54/1065130754.db2.gz MJSBLJMAZMMNID-SFHVURJKSA-N 2 1 397.588 3.911 20 0 GHADMP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[N@H+]1CCc2sccc2C1 ZINC001464643019 1065130759 /nfs/dbraw/zinc/13/07/59/1065130759.db2.gz MJSBLJMAZMMNID-SFHVURJKSA-N 2 1 397.588 3.911 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001464811441 1065224683 /nfs/dbraw/zinc/22/46/83/1065224683.db2.gz MUNOPDNNSSPERF-SIKLNZKXSA-N 2 1 379.548 3.754 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001464854891 1065247040 /nfs/dbraw/zinc/24/70/40/1065247040.db2.gz SNJSQGWIQKNJFJ-QFIPXVFZSA-N 2 1 375.601 3.898 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[C@@H]1C ZINC001465372750 1065574456 /nfs/dbraw/zinc/57/44/56/1065574456.db2.gz CAGDZEPXESYLQH-BVSLBCMMSA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[C@@H]1C ZINC001465372750 1065574466 /nfs/dbraw/zinc/57/44/66/1065574466.db2.gz CAGDZEPXESYLQH-BVSLBCMMSA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@@H]1C ZINC001465372750 1065574472 /nfs/dbraw/zinc/57/44/72/1065574472.db2.gz CAGDZEPXESYLQH-BVSLBCMMSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC001353242667 1065798356 /nfs/dbraw/zinc/79/83/56/1065798356.db2.gz ZUALOAPEKPANQP-XUZZJYLKSA-N 2 1 391.515 3.725 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001465916576 1065920912 /nfs/dbraw/zinc/92/09/12/1065920912.db2.gz YMJIUQSOGJWGEL-LAUBAEHRSA-N 2 1 376.504 3.684 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC001465916577 1065921239 /nfs/dbraw/zinc/92/12/39/1065921239.db2.gz YMJIUQSOGJWGEL-UTKZUKDTSA-N 2 1 376.504 3.684 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001466808027 1066328882 /nfs/dbraw/zinc/32/88/82/1066328882.db2.gz JHZZYUVRUTXZBJ-PXNSSMCTSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001466808027 1066328899 /nfs/dbraw/zinc/32/88/99/1066328899.db2.gz JHZZYUVRUTXZBJ-PXNSSMCTSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2cc3c(s2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001357403481 1067085416 /nfs/dbraw/zinc/08/54/16/1067085416.db2.gz DIQLOYQMKKAXPE-QFBILLFUSA-N 2 1 383.561 3.519 20 0 GHADMP C[C@@H]([NH3+])c1nc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cs1 ZINC001357503151 1067133636 /nfs/dbraw/zinc/13/36/36/1067133636.db2.gz KOXFYUONCSJEIY-CQSZACIVSA-N 2 1 392.956 3.554 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001467297825 1067207867 /nfs/dbraw/zinc/20/78/67/1067207867.db2.gz BBSOSMPSFLXUDQ-ZTCOLXNVSA-N 2 1 393.575 3.749 20 0 GHADMP CC(C)[C@H](CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[NH+]1CCC(C)CC1 ZINC001467372914 1067257635 /nfs/dbraw/zinc/25/76/35/1067257635.db2.gz LAPDPUOQVSXQFT-FQEVSTJZSA-N 2 1 387.572 3.950 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)CC3(C)C)C[N@H+]2C1 ZINC001467407968 1067280845 /nfs/dbraw/zinc/28/08/45/1067280845.db2.gz GSYZMYLSTDDSJM-RYFAJOAYSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[NH+]2C1 ZINC001467407968 1067280852 /nfs/dbraw/zinc/28/08/52/1067280852.db2.gz GSYZMYLSTDDSJM-RYFAJOAYSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[NH+]2C1 ZINC001467407968 1067280860 /nfs/dbraw/zinc/28/08/60/1067280860.db2.gz GSYZMYLSTDDSJM-RYFAJOAYSA-N 2 1 383.580 3.524 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)[NH+](C)C)cc1 ZINC001477651148 1078508930 /nfs/dbraw/zinc/50/89/30/1078508930.db2.gz YIRJGWZBVFSXRB-OFNKIYASSA-N 2 1 394.563 3.686 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC001467688198 1067421470 /nfs/dbraw/zinc/42/14/70/1067421470.db2.gz UQSRZMKKIKBIHQ-SVFBPWRDSA-N 2 1 380.621 3.554 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(C)C ZINC001467951157 1067542445 /nfs/dbraw/zinc/54/24/45/1067542445.db2.gz VMTCZLXOTMSQNJ-ILWGZMRPSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001468115430 1067600682 /nfs/dbraw/zinc/60/06/82/1067600682.db2.gz VVEDDPCGLOFFRX-UNMCSNQZSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001468115430 1067600687 /nfs/dbraw/zinc/60/06/87/1067600687.db2.gz VVEDDPCGLOFFRX-UNMCSNQZSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001468115430 1067600689 /nfs/dbraw/zinc/60/06/89/1067600689.db2.gz VVEDDPCGLOFFRX-UNMCSNQZSA-N 2 1 383.580 3.622 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)c2ccccc2)CC1 ZINC001468177881 1067621763 /nfs/dbraw/zinc/62/17/63/1067621763.db2.gz SPMHZGMLQVFEAT-OAQYLSRUSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001468204455 1067630373 /nfs/dbraw/zinc/63/03/73/1067630373.db2.gz HOLLKWVJHRYWSA-YZLZLFLDSA-N 2 1 394.991 3.608 20 0 GHADMP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001468265854 1067659366 /nfs/dbraw/zinc/65/93/66/1067659366.db2.gz HIEGPIOYACBQFV-HDAAZOAOSA-N 2 1 388.600 3.734 20 0 GHADMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849106107 1067731471 /nfs/dbraw/zinc/73/14/71/1067731471.db2.gz UTOAIDIPDZOXPB-QHCPKHFHSA-N 3 1 397.611 3.562 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001468631494 1067797810 /nfs/dbraw/zinc/79/78/10/1067797810.db2.gz SQTPVWCCGLLQLL-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001468631494 1067797817 /nfs/dbraw/zinc/79/78/17/1067797817.db2.gz SQTPVWCCGLLQLL-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001468631494 1067797826 /nfs/dbraw/zinc/79/78/26/1067797826.db2.gz SQTPVWCCGLLQLL-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001468872858 1067914652 /nfs/dbraw/zinc/91/46/52/1067914652.db2.gz KBNLXNXDDJBMIS-BDTNDASRSA-N 2 1 384.568 3.530 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001468947553 1067935541 /nfs/dbraw/zinc/93/55/41/1067935541.db2.gz PYKRHOICTPGNCB-MOPGFXCFSA-N 2 1 380.964 3.506 20 0 GHADMP C[N@@H+](CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C1CCCCC1 ZINC001477926227 1078630928 /nfs/dbraw/zinc/63/09/28/1078630928.db2.gz FELTVXMRHKQQJM-JOCHJYFZSA-N 2 1 386.584 3.777 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC12CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC001470133780 1068589721 /nfs/dbraw/zinc/58/97/21/1068589721.db2.gz YYZIVUKIBRYXCB-LJQANCHMSA-N 2 1 392.975 3.603 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)C1 ZINC001460154680 1068818107 /nfs/dbraw/zinc/81/81/07/1068818107.db2.gz YOLGQWBCXSHYDL-CRHVVPOVSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)C1 ZINC001460154680 1068818127 /nfs/dbraw/zinc/81/81/27/1068818127.db2.gz YOLGQWBCXSHYDL-CRHVVPOVSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)C1 ZINC001460154680 1068818139 /nfs/dbraw/zinc/81/81/39/1068818139.db2.gz YOLGQWBCXSHYDL-CRHVVPOVSA-N 2 1 391.600 3.972 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3c4ccccc4C[N@H+]3C)CC2)CC1 ZINC001478282050 1078796179 /nfs/dbraw/zinc/79/61/79/1078796179.db2.gz LCFXDXRBQOUFAG-QETWGEEDSA-N 2 1 384.568 3.515 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3c4ccccc4C[N@@H+]3C)CC2)CC1 ZINC001478282050 1078796182 /nfs/dbraw/zinc/79/61/82/1078796182.db2.gz LCFXDXRBQOUFAG-QETWGEEDSA-N 2 1 384.568 3.515 20 0 GHADMP C[N@H+]1CCN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C[C@H]1C(C)(C)C ZINC001460331460 1068928752 /nfs/dbraw/zinc/92/87/52/1068928752.db2.gz ZQRSSHPTSZOYMA-NRFANRHFSA-N 2 1 393.019 3.514 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001478538617 1078909400 /nfs/dbraw/zinc/90/94/00/1078909400.db2.gz RGTGMJBXMZRZMM-JOCHJYFZSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC001470713240 1072699604 /nfs/dbraw/zinc/69/96/04/1072699604.db2.gz MHTVROAINSRKOK-HSZRJFAPSA-N 2 1 377.532 3.595 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001478686723 1078956399 /nfs/dbraw/zinc/95/63/99/1078956399.db2.gz GWGNBJWPLDLNCS-FKBYEOEOSA-N 2 1 392.632 3.793 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001478891491 1079016907 /nfs/dbraw/zinc/01/69/07/1079016907.db2.gz MWSVVHLFMBXZIK-MLDBQTBOSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001478891491 1079016910 /nfs/dbraw/zinc/01/69/10/1079016910.db2.gz MWSVVHLFMBXZIK-MLDBQTBOSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001478891491 1079016920 /nfs/dbraw/zinc/01/69/20/1079016920.db2.gz MWSVVHLFMBXZIK-MLDBQTBOSA-N 2 1 398.595 3.870 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC001478927581 1079029277 /nfs/dbraw/zinc/02/92/77/1079029277.db2.gz FVZRBSZGOPINBE-NRFANRHFSA-N 2 1 378.605 3.691 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001471537046 1073121726 /nfs/dbraw/zinc/12/17/26/1073121726.db2.gz WNPQTXGUZWADAJ-OAQYLSRUSA-N 2 1 389.609 3.501 20 0 GHADMP CC[NH+](CC)CC[C@H](C)NC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001471614621 1073159357 /nfs/dbraw/zinc/15/93/57/1073159357.db2.gz RKJNVUDUNCHCCI-UNMCSNQZSA-N 2 1 388.600 3.803 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC001473200651 1073854443 /nfs/dbraw/zinc/85/44/43/1073854443.db2.gz FZSYNBFXNDXXBQ-FGZHOGPDSA-N 2 1 375.601 3.754 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@@H+](C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)CC1 ZINC001473200651 1073854449 /nfs/dbraw/zinc/85/44/49/1073854449.db2.gz FZSYNBFXNDXXBQ-FGZHOGPDSA-N 2 1 375.601 3.754 20 0 GHADMP CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H]1C ZINC001473401639 1073950746 /nfs/dbraw/zinc/95/07/46/1073950746.db2.gz CJDVBUIJEOSZMG-HLIPFELVSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@@H]1C ZINC001473401639 1073950748 /nfs/dbraw/zinc/95/07/48/1073950748.db2.gz CJDVBUIJEOSZMG-HLIPFELVSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001473935844 1074210410 /nfs/dbraw/zinc/21/04/10/1074210410.db2.gz QIYSPDORDUXNSV-IYBDPMFKSA-N 2 1 397.510 3.527 20 0 GHADMP c1[nH]c(-c2ccccc2)nc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001474000890 1074231601 /nfs/dbraw/zinc/23/16/01/1074231601.db2.gz UTYUZDJYTMMCTM-UHFFFAOYSA-N 2 1 376.504 3.841 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1OC ZINC001474029614 1074241527 /nfs/dbraw/zinc/24/15/27/1074241527.db2.gz LTHSOHYFIRXSJZ-FXAWDEMLSA-N 2 1 384.520 3.713 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1OC ZINC001474029614 1074241533 /nfs/dbraw/zinc/24/15/33/1074241533.db2.gz LTHSOHYFIRXSJZ-FXAWDEMLSA-N 2 1 384.520 3.713 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(-c3ccccn3)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC001474073412 1074254740 /nfs/dbraw/zinc/25/47/40/1074254740.db2.gz MZWDMIATCPVADV-ICSRJNTNSA-N 2 1 375.520 3.862 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(I)s3)C2)CC1 ZINC001474503769 1074436803 /nfs/dbraw/zinc/43/68/03/1074436803.db2.gz QKZDIJACADVRJB-CYBMUJFWSA-N 2 1 390.334 3.516 20 0 GHADMP COCC[N@@H+](Cc1ccc(C(F)(F)F)nc1Cl)CC1CC[NH+](C)CC1 ZINC001474660812 1074504168 /nfs/dbraw/zinc/50/41/68/1074504168.db2.gz UXMYCAQAYMPYIL-UHFFFAOYSA-N 2 1 379.854 3.544 20 0 GHADMP COCC[N@H+](Cc1ccc(C(F)(F)F)nc1Cl)CC1CC[NH+](C)CC1 ZINC001474660812 1074504175 /nfs/dbraw/zinc/50/41/75/1074504175.db2.gz UXMYCAQAYMPYIL-UHFFFAOYSA-N 2 1 379.854 3.544 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH+](CC(C)(C)O)CC2)CCCCC1 ZINC001474697898 1074521172 /nfs/dbraw/zinc/52/11/72/1074521172.db2.gz FDNSBULLHTXSJM-UHFFFAOYSA-N 2 1 387.612 3.646 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CC[NH+]1CCCCCC1 ZINC001495288229 1079398100 /nfs/dbraw/zinc/39/81/00/1079398100.db2.gz WXTIHKYGXHKYBM-SLFFLAALSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820412140 607326308 /nfs/dbraw/zinc/32/63/08/607326308.db2.gz KPCGLNFQAQVUBL-OARUMGJZSA-N 2 1 388.519 3.713 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820710644 599367078 /nfs/dbraw/zinc/36/70/78/599367078.db2.gz RISLVLFLTPHNNB-QZTJIDSGSA-N 2 1 390.535 3.949 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000820703001 607473325 /nfs/dbraw/zinc/47/33/25/607473325.db2.gz CFCRHOKIZCZUOL-MRXNPFEDSA-N 2 1 394.498 3.670 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821088719 606088468 /nfs/dbraw/zinc/08/84/68/606088468.db2.gz UAAWXHAHNKZCOB-IBGZPJMESA-N 2 1 390.535 3.697 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821088719 606088470 /nfs/dbraw/zinc/08/84/70/606088470.db2.gz UAAWXHAHNKZCOB-IBGZPJMESA-N 2 1 390.535 3.697 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821088719 606088474 /nfs/dbraw/zinc/08/84/74/606088474.db2.gz UAAWXHAHNKZCOB-IBGZPJMESA-N 2 1 390.535 3.697 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585795 607808402 /nfs/dbraw/zinc/80/84/02/607808402.db2.gz UDFWTKKLXJVOCQ-WSTZPKSXSA-N 2 1 390.535 3.818 20 0 GHADMP COc1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c2cc(Cl)ccc12 ZINC001164682233 719622722 /nfs/dbraw/zinc/62/27/22/719622722.db2.gz MBZFPXRDZQOOFZ-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP COc1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c2cc(Cl)ccc12 ZINC001164682233 719622734 /nfs/dbraw/zinc/62/27/34/719622734.db2.gz MBZFPXRDZQOOFZ-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP CCOc1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164845340 720689757 /nfs/dbraw/zinc/68/97/57/720689757.db2.gz YKAWLKFQKLCCIJ-FQEVSTJZSA-N 2 1 381.520 3.740 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC001165037270 721896093 /nfs/dbraw/zinc/89/60/93/721896093.db2.gz XEBHPVXOKIAUKJ-MRXNPFEDSA-N 2 1 375.586 3.680 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000068902501 721897903 /nfs/dbraw/zinc/89/79/03/721897903.db2.gz XXGXNJZGFQHIMW-QGZVFWFLSA-N 2 1 395.576 3.950 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000659070501 837442858 /nfs/dbraw/zinc/44/28/58/837442858.db2.gz NJORIFSKGJWQSX-OFNKIYASSA-N 2 1 377.532 3.729 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000659070501 837442865 /nfs/dbraw/zinc/44/28/65/837442865.db2.gz NJORIFSKGJWQSX-OFNKIYASSA-N 2 1 377.532 3.729 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OCc1cccnc1 ZINC000647544184 837476579 /nfs/dbraw/zinc/47/65/79/837476579.db2.gz XYYUKCUUQYGODF-YADHBBJMSA-N 2 1 395.547 3.881 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000180782637 837540242 /nfs/dbraw/zinc/54/02/42/837540242.db2.gz YWEMAJYBTDQVSR-CTNGQTDRSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000180782637 837540251 /nfs/dbraw/zinc/54/02/51/837540251.db2.gz YWEMAJYBTDQVSR-CTNGQTDRSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000180782637 837540257 /nfs/dbraw/zinc/54/02/57/837540257.db2.gz YWEMAJYBTDQVSR-CTNGQTDRSA-N 2 1 391.600 3.972 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275592473 837680219 /nfs/dbraw/zinc/68/02/19/837680219.db2.gz FSKMHKVFMMJXKW-HXUWFJFHSA-N 2 1 394.563 3.919 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000579714108 834422753 /nfs/dbraw/zinc/42/27/53/834422753.db2.gz VLTBYHJIIWITHA-GOSISDBHSA-N 2 1 384.351 3.606 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OCCC(C)C ZINC000650706050 834530934 /nfs/dbraw/zinc/53/09/34/834530934.db2.gz CMXYJZLGNMHZFK-VWPQPMDRSA-N 2 1 390.568 3.838 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706920 834552307 /nfs/dbraw/zinc/55/23/07/834552307.db2.gz VOUIMIXMIOMFKI-SQGPQFPESA-N 2 1 387.549 3.537 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000583516654 834553969 /nfs/dbraw/zinc/55/39/69/834553969.db2.gz HSNHQYXVTCVACI-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000583516654 834553974 /nfs/dbraw/zinc/55/39/74/834553974.db2.gz HSNHQYXVTCVACI-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC000583516654 834553983 /nfs/dbraw/zinc/55/39/83/834553983.db2.gz HSNHQYXVTCVACI-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4nn(C(C)C)cc4c3)CC2)CC1 ZINC000654803607 834579446 /nfs/dbraw/zinc/57/94/46/834579446.db2.gz CBSBYYSBRMQIDX-UHFFFAOYSA-N 2 1 397.567 3.752 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000650722546 834689910 /nfs/dbraw/zinc/68/99/10/834689910.db2.gz WGMTWVUBWWJLDJ-BHIYHBOVSA-N 2 1 375.513 3.810 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)c(Br)c2)C1 ZINC000650723139 834695542 /nfs/dbraw/zinc/69/55/42/834695542.db2.gz HVVOFGIYDALEOO-KBRIMQKVSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Br)c2)C1 ZINC000650723139 834695543 /nfs/dbraw/zinc/69/55/43/834695543.db2.gz HVVOFGIYDALEOO-KBRIMQKVSA-N 2 1 387.749 3.963 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000728570887 834695873 /nfs/dbraw/zinc/69/58/73/834695873.db2.gz RHUBBBLSKYJBRL-UHFFFAOYSA-N 2 1 385.524 3.994 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OCCC(C)C ZINC000650723373 834702794 /nfs/dbraw/zinc/70/27/94/834702794.db2.gz MUWAMHWYFARQPM-VWPQPMDRSA-N 2 1 390.568 3.981 20 0 GHADMP CC[N@H+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818817 834706116 /nfs/dbraw/zinc/70/61/16/834706116.db2.gz QUAQVATWTDXUCS-JOCHJYFZSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818817 834706120 /nfs/dbraw/zinc/70/61/20/834706120.db2.gz QUAQVATWTDXUCS-JOCHJYFZSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818817 834706124 /nfs/dbraw/zinc/70/61/24/834706124.db2.gz QUAQVATWTDXUCS-JOCHJYFZSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000472296052 834781906 /nfs/dbraw/zinc/78/19/06/834781906.db2.gz SVJRNJOTZLBINH-AEFFLSMTSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000472296052 834781911 /nfs/dbraw/zinc/78/19/11/834781911.db2.gz SVJRNJOTZLBINH-AEFFLSMTSA-N 2 1 390.503 3.678 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000143403320 834795405 /nfs/dbraw/zinc/79/54/05/834795405.db2.gz ZXVGNCKYMJAXMC-QFIPXVFZSA-N 2 1 392.478 3.601 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000143403320 834795408 /nfs/dbraw/zinc/79/54/08/834795408.db2.gz ZXVGNCKYMJAXMC-QFIPXVFZSA-N 2 1 392.478 3.601 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3cccc(N4CCOCC4)c3)CC23CC3)cc1 ZINC000583692978 834874094 /nfs/dbraw/zinc/87/40/94/834874094.db2.gz SDBMXLRNQINDFW-QHCPKHFHSA-N 2 1 391.559 3.810 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccc(N4CCOCC4)c3)CC23CC3)cc1 ZINC000583692978 834874100 /nfs/dbraw/zinc/87/41/00/834874100.db2.gz SDBMXLRNQINDFW-QHCPKHFHSA-N 2 1 391.559 3.810 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000431569710 834930455 /nfs/dbraw/zinc/93/04/55/834930455.db2.gz JNWXDABEOJRGLD-FQEVSTJZSA-N 2 1 379.976 3.817 20 0 GHADMP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c(Cl)c1 ZINC000655760497 837825369 /nfs/dbraw/zinc/82/53/69/837825369.db2.gz RNBOAXMNRDWHOY-QZTJIDSGSA-N 2 1 398.378 3.805 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+]2CCc3ccccc3C2)cc1)C1CC1 ZINC000511280006 834962243 /nfs/dbraw/zinc/96/22/43/834962243.db2.gz FJJYBDKQFOUKNA-UHFFFAOYSA-N 2 1 391.559 3.849 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1)C1CC1 ZINC000511280006 834962250 /nfs/dbraw/zinc/96/22/50/834962250.db2.gz FJJYBDKQFOUKNA-UHFFFAOYSA-N 2 1 391.559 3.849 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685442995 835013692 /nfs/dbraw/zinc/01/36/92/835013692.db2.gz ASKWLVZBXWDXFJ-VWLOTQADSA-N 2 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685442995 835013704 /nfs/dbraw/zinc/01/37/04/835013704.db2.gz ASKWLVZBXWDXFJ-VWLOTQADSA-N 3 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685442995 835013712 /nfs/dbraw/zinc/01/37/12/835013712.db2.gz ASKWLVZBXWDXFJ-VWLOTQADSA-N 3 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685442995 835013722 /nfs/dbraw/zinc/01/37/22/835013722.db2.gz ASKWLVZBXWDXFJ-VWLOTQADSA-N 3 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685442995 835013733 /nfs/dbraw/zinc/01/37/33/835013733.db2.gz ASKWLVZBXWDXFJ-VWLOTQADSA-N 3 1 393.575 3.725 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000685463181 835029857 /nfs/dbraw/zinc/02/98/57/835029857.db2.gz YKNYLUHPLBURQE-LJQANCHMSA-N 2 1 378.520 3.997 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cc(C)c(F)c(C)c3)CC2)C1 ZINC001143374408 835045862 /nfs/dbraw/zinc/04/58/62/835045862.db2.gz WHFXCTRZFKBJGB-IBGZPJMESA-N 2 1 376.516 3.682 20 0 GHADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)n2)cc1 ZINC000583817712 835087325 /nfs/dbraw/zinc/08/73/25/835087325.db2.gz YEERYQXDPSUBTP-LJQANCHMSA-N 2 1 392.478 3.901 20 0 GHADMP C[C@H](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC[NH2+]CC1 ZINC000370762894 835160736 /nfs/dbraw/zinc/16/07/36/835160736.db2.gz CNHVDGHUPKXTQT-HYBUGGRVSA-N 2 1 383.580 3.527 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000433353214 844038522 /nfs/dbraw/zinc/03/85/22/844038522.db2.gz KYCUNANUYMKFSP-UHFFFAOYSA-N 2 1 379.548 3.529 20 0 GHADMP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)OCCc2ccccc21 ZINC000685655556 835269533 /nfs/dbraw/zinc/26/95/33/835269533.db2.gz JXYIFBWGLQDARM-YNJKOYDBSA-N 2 1 394.559 3.601 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)[C@@H]2CCCO2)cc1 ZINC000685662121 835278741 /nfs/dbraw/zinc/27/87/41/835278741.db2.gz FPWPKZYRBMAGMY-WBAXXEDZSA-N 2 1 376.298 3.539 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309791715 835373365 /nfs/dbraw/zinc/37/33/65/835373365.db2.gz OUFFJBACVOGNHX-XSYGEPLQSA-N 2 1 375.557 3.788 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000190937848 835379304 /nfs/dbraw/zinc/37/93/04/835379304.db2.gz ACGXAGZEBJHOOC-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1SC ZINC000658135640 835444020 /nfs/dbraw/zinc/44/40/20/835444020.db2.gz AEPRCMNDUZUGMN-JXFKEZNVSA-N 2 1 386.561 3.835 20 0 GHADMP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000658231174 835516111 /nfs/dbraw/zinc/51/61/11/835516111.db2.gz ANBPMPYFUPITGA-JLUHHDAESA-N 2 1 378.564 3.917 20 0 GHADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000658319985 835573312 /nfs/dbraw/zinc/57/33/12/835573312.db2.gz KVHHMQKWJKIOMG-TZIWHRDSSA-N 2 1 379.548 3.913 20 0 GHADMP COCC[NH+]1CCC([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000545191771 835672505 /nfs/dbraw/zinc/67/25/05/835672505.db2.gz XTNDHZMJIYWOBE-UHFFFAOYSA-N 2 1 379.957 3.706 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)CC1 ZINC000584329664 835878883 /nfs/dbraw/zinc/87/88/83/835878883.db2.gz FKXRFRWGNMDGHN-NRFANRHFSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000584329664 835878891 /nfs/dbraw/zinc/87/88/91/835878891.db2.gz FKXRFRWGNMDGHN-NRFANRHFSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000584329664 835878898 /nfs/dbraw/zinc/87/88/98/835878898.db2.gz FKXRFRWGNMDGHN-NRFANRHFSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc2ccncc2s1 ZINC000657841180 835915870 /nfs/dbraw/zinc/91/58/70/835915870.db2.gz ACGXXSYMEGXNFF-QGZVFWFLSA-N 2 1 380.561 3.895 20 0 GHADMP C[C@@H](c1ccccc1F)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471219399 835938317 /nfs/dbraw/zinc/93/83/17/835938317.db2.gz HTWUSCDSVIOAHA-IBGZPJMESA-N 2 1 397.538 3.847 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548482103 844135789 /nfs/dbraw/zinc/13/57/89/844135789.db2.gz PBTHBTAAFVSJOU-PMOQBDJRSA-N 2 1 383.580 3.668 20 0 GHADMP COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000533525497 836202112 /nfs/dbraw/zinc/20/21/12/836202112.db2.gz DSUACAKOWFNWIG-RXVVDRJESA-N 2 1 390.487 3.978 20 0 GHADMP CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000581997880 844138219 /nfs/dbraw/zinc/13/82/19/844138219.db2.gz HIJDKZVZQSGHIA-BJKOFHAPSA-N 2 1 382.548 3.536 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000017313730 836223531 /nfs/dbraw/zinc/22/35/31/836223531.db2.gz QULYCJVSNQBGFS-UHFFFAOYSA-N 2 1 375.520 3.897 20 0 GHADMP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc(F)c1 ZINC000613396549 836268475 /nfs/dbraw/zinc/26/84/75/836268475.db2.gz PIEVHHIRCGOFDU-UHFFFAOYSA-N 2 1 383.511 3.560 20 0 GHADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc(F)c1 ZINC000613396549 836268483 /nfs/dbraw/zinc/26/84/83/836268483.db2.gz PIEVHHIRCGOFDU-UHFFFAOYSA-N 2 1 383.511 3.560 20 0 GHADMP COc1ccc([C@@H](CO)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000414189884 836460909 /nfs/dbraw/zinc/46/09/09/836460909.db2.gz RMWJCXBLLWFXRR-DDRJZQQSSA-N 2 1 382.548 3.804 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000174787428 836561111 /nfs/dbraw/zinc/56/11/11/836561111.db2.gz ZXHUWJAKLPEMTH-LJQANCHMSA-N 2 1 390.572 3.745 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175646021 836925661 /nfs/dbraw/zinc/92/56/61/836925661.db2.gz FGCBQCJBBVGXQO-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC000175646021 836925672 /nfs/dbraw/zinc/92/56/72/836925672.db2.gz FGCBQCJBBVGXQO-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC000175646021 836925681 /nfs/dbraw/zinc/92/56/81/836925681.db2.gz FGCBQCJBBVGXQO-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000175762594 836988229 /nfs/dbraw/zinc/98/82/29/836988229.db2.gz BVYAQBHDGHZJCN-KRWDZBQOSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000237523449 837264976 /nfs/dbraw/zinc/26/49/76/837264976.db2.gz XOIAUOXVHGKJCT-KRWDZBQOSA-N 2 1 377.536 3.941 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000471375669 837379383 /nfs/dbraw/zinc/37/93/83/837379383.db2.gz GBLMDCDTIHMQCS-IBGZPJMESA-N 2 1 379.548 3.680 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659863938 837910575 /nfs/dbraw/zinc/91/05/75/837910575.db2.gz JLSILUNZEYXKHH-QZTJIDSGSA-N 2 1 382.017 3.923 20 0 GHADMP Cc1cnn(CCCCC[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177504040 837985664 /nfs/dbraw/zinc/98/56/64/837985664.db2.gz MBHWOHPQFMCABT-OYRHEFFESA-N 2 1 376.589 3.573 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000659245990 838000829 /nfs/dbraw/zinc/00/08/29/838000829.db2.gz FFPPQCKBWPYFBF-YHYVQYDKSA-N 2 1 377.532 3.631 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C(C)(C)C)C[C@H]3C)CC2)CC1 ZINC000579976665 838239800 /nfs/dbraw/zinc/23/98/00/838239800.db2.gz NPLBCAAJPOPPEQ-UYAOXDASSA-N 2 1 377.617 3.856 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000415916337 838264743 /nfs/dbraw/zinc/26/47/43/838264743.db2.gz HCEYUUMGYAUYJT-XMSQKQJNSA-N 2 1 380.536 3.923 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1)C(C)C ZINC000110164973 844312189 /nfs/dbraw/zinc/31/21/89/844312189.db2.gz YJASKHQPIBZMHB-HSZRJFAPSA-N 2 1 381.564 3.820 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000549804277 844313313 /nfs/dbraw/zinc/31/33/13/844313313.db2.gz PYBRALXMBKOZSK-APWZRJJASA-N 2 1 380.964 3.506 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000549804277 844313320 /nfs/dbraw/zinc/31/33/20/844313320.db2.gz PYBRALXMBKOZSK-APWZRJJASA-N 2 1 380.964 3.506 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415960302 838329018 /nfs/dbraw/zinc/32/90/18/838329018.db2.gz UYJJAVGHJPWYFT-WIYYLYMNSA-N 2 1 380.536 3.828 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000415960390 838329146 /nfs/dbraw/zinc/32/91/46/838329146.db2.gz AUJUDBIFMLLRDE-UHFFFAOYSA-N 2 1 384.446 3.646 20 0 GHADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981522 838351375 /nfs/dbraw/zinc/35/13/75/838351375.db2.gz VTMGTJPKRRGBBF-VGOFRKELSA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981522 838351384 /nfs/dbraw/zinc/35/13/84/838351384.db2.gz VTMGTJPKRRGBBF-VGOFRKELSA-N 2 1 395.551 3.613 20 0 GHADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000580122936 838908978 /nfs/dbraw/zinc/90/89/78/838908978.db2.gz UQTDILMCEQXNOW-PXNSSMCTSA-N 2 1 399.501 3.936 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000312141160 838918378 /nfs/dbraw/zinc/91/83/78/838918378.db2.gz FKJASUFWCUNMCW-WCIQWLHISA-N 2 1 379.589 3.875 20 0 GHADMP CCOc1ccc(F)c(F)c1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001143489650 839176922 /nfs/dbraw/zinc/17/69/22/839176922.db2.gz AXRULWLCFAJOQI-MSOLQXFVSA-N 2 1 387.474 3.712 20 0 GHADMP CN(c1nc2cc(Cl)cc(Cl)c2o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683932761 839521958 /nfs/dbraw/zinc/52/19/58/839521958.db2.gz MRTQHORMUXYXDR-AWEZNQCLSA-N 2 1 383.323 3.739 20 0 GHADMP CN(c1nc2cc(Cl)cc(Cl)c2o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683932761 839521965 /nfs/dbraw/zinc/52/19/65/839521965.db2.gz MRTQHORMUXYXDR-AWEZNQCLSA-N 2 1 383.323 3.739 20 0 GHADMP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCOCC[NH+]2C[C@H](C)C[C@H]2c2cccnc2)C1 ZINC000580425054 839545856 /nfs/dbraw/zinc/54/58/56/839545856.db2.gz DSQPYJVOVGOHQZ-DVJXIFHOSA-N 2 1 394.563 3.959 20 0 GHADMP CC(C)CCn1cccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000119149371 839678265 /nfs/dbraw/zinc/67/82/65/839678265.db2.gz ICSRQEYLSDSFPZ-JOCHJYFZSA-N 2 1 396.579 3.521 20 0 GHADMP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000580499316 839694524 /nfs/dbraw/zinc/69/45/24/839694524.db2.gz WMCIQKJZFVSQBG-GVAUOCQISA-N 2 1 386.543 3.932 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000580641265 839947235 /nfs/dbraw/zinc/94/72/35/839947235.db2.gz MQGDIKDSZDUUDU-WOIUINJBSA-N 2 1 388.577 3.723 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000580641265 839947239 /nfs/dbraw/zinc/94/72/39/839947239.db2.gz MQGDIKDSZDUUDU-WOIUINJBSA-N 2 1 388.577 3.723 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000580670276 839986252 /nfs/dbraw/zinc/98/62/52/839986252.db2.gz VZTJZXHEMUZEJQ-OAQYLSRUSA-N 2 1 388.600 3.580 20 0 GHADMP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000328632666 840002908 /nfs/dbraw/zinc/00/29/08/840002908.db2.gz LMSDBUBSAYSISW-ZEFBCVDJSA-N 2 1 387.572 3.696 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000535810566 844513427 /nfs/dbraw/zinc/51/34/27/844513427.db2.gz QMVWYPSHRYBFRD-RDGATRHJSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000535810566 844513434 /nfs/dbraw/zinc/51/34/34/844513434.db2.gz QMVWYPSHRYBFRD-RDGATRHJSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000535810566 844513440 /nfs/dbraw/zinc/51/34/40/844513440.db2.gz QMVWYPSHRYBFRD-RDGATRHJSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000535810566 844513449 /nfs/dbraw/zinc/51/34/49/844513449.db2.gz QMVWYPSHRYBFRD-RDGATRHJSA-N 2 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000535810566 844513458 /nfs/dbraw/zinc/51/34/58/844513458.db2.gz QMVWYPSHRYBFRD-RDGATRHJSA-N 2 1 396.623 3.667 20 0 GHADMP CN(C[C@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000759856738 840221658 /nfs/dbraw/zinc/22/16/58/840221658.db2.gz ZHUWAWMTURTSCW-NRFANRHFSA-N 2 1 391.918 3.546 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)cc1F ZINC000580812333 840234731 /nfs/dbraw/zinc/23/47/31/840234731.db2.gz WGLJGVLDKRMXAV-UHFFFAOYSA-N 2 1 388.393 3.716 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418480362 840297205 /nfs/dbraw/zinc/29/72/05/840297205.db2.gz CGHLEHNXHIHNTO-GCJKJVERSA-N 2 1 380.536 3.512 20 0 GHADMP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000500410055 840404532 /nfs/dbraw/zinc/40/45/32/840404532.db2.gz OHJBYONTADUAEU-NZQKXSOJSA-N 2 1 399.579 3.603 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920891 840434162 /nfs/dbraw/zinc/43/41/62/840434162.db2.gz RISKWBISRZPTRH-YADHBBJMSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920891 840434168 /nfs/dbraw/zinc/43/41/68/840434168.db2.gz RISKWBISRZPTRH-YADHBBJMSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920891 840434179 /nfs/dbraw/zinc/43/41/79/840434179.db2.gz RISKWBISRZPTRH-YADHBBJMSA-N 2 1 388.515 3.733 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1(O)CCOCC1 ZINC000417375052 840803190 /nfs/dbraw/zinc/80/31/90/840803190.db2.gz BHEKWCFVRAGFIR-YPAWHYETSA-N 2 1 386.580 3.587 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000584768222 840809302 /nfs/dbraw/zinc/80/93/02/840809302.db2.gz PBEFHTMZKLUNPF-UHFFFAOYSA-N 2 1 392.425 3.512 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652125274 840891369 /nfs/dbraw/zinc/89/13/69/840891369.db2.gz LFWDLSMNZRQBJI-KRWDZBQOSA-N 2 1 398.526 3.516 20 0 GHADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652978 841060820 /nfs/dbraw/zinc/06/08/20/841060820.db2.gz NQYSBWLBFYDFGJ-YKSBVNFPSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652978 841060832 /nfs/dbraw/zinc/06/08/32/841060832.db2.gz NQYSBWLBFYDFGJ-YKSBVNFPSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652978 841060845 /nfs/dbraw/zinc/06/08/45/841060845.db2.gz NQYSBWLBFYDFGJ-YKSBVNFPSA-N 2 1 396.531 3.636 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Oc3ccccc3)cc1)C2 ZINC000660652978 841060858 /nfs/dbraw/zinc/06/08/58/841060858.db2.gz NQYSBWLBFYDFGJ-YKSBVNFPSA-N 2 1 396.531 3.636 20 0 GHADMP CSc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677192 841090454 /nfs/dbraw/zinc/09/04/54/841090454.db2.gz XICPXIDXKWXJTR-UHFFFAOYSA-N 2 1 383.561 3.991 20 0 GHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000430560139 841104680 /nfs/dbraw/zinc/10/46/80/841104680.db2.gz VJADHVGCCCFYNY-IEBWSBKVSA-N 2 1 375.532 3.546 20 0 GHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000430560139 841104686 /nfs/dbraw/zinc/10/46/86/841104686.db2.gz VJADHVGCCCFYNY-IEBWSBKVSA-N 2 1 375.532 3.546 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000276150830 841168577 /nfs/dbraw/zinc/16/85/77/841168577.db2.gz OYWJFZKMNRVIEO-LJQANCHMSA-N 2 1 381.358 3.991 20 0 GHADMP C[NH+](C)[C@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101481 844619983 /nfs/dbraw/zinc/61/99/83/844619983.db2.gz GOQBPYASSSXIAN-ZEQRLZLVSA-N 3 1 386.628 3.519 20 0 GHADMP C[NH+](C)[C@H]1CCCN(Cc2cccc(CN3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101481 844619992 /nfs/dbraw/zinc/61/99/92/844619992.db2.gz GOQBPYASSSXIAN-ZEQRLZLVSA-N 2 1 386.628 3.519 20 0 GHADMP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000430584546 841254038 /nfs/dbraw/zinc/25/40/38/841254038.db2.gz OXQWVKUYUVEOFM-JOCHJYFZSA-N 2 1 385.577 3.584 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417905751 841264377 /nfs/dbraw/zinc/26/43/77/841264377.db2.gz ANRJSZKFLLZSFD-GCJKJVERSA-N 2 1 382.552 3.507 20 0 GHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000417982392 841354136 /nfs/dbraw/zinc/35/41/36/841354136.db2.gz ADRIZFLHAROBMU-AQNXPRMDSA-N 2 1 396.526 3.503 20 0 GHADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000417982392 841354146 /nfs/dbraw/zinc/35/41/46/841354146.db2.gz ADRIZFLHAROBMU-AQNXPRMDSA-N 2 1 396.526 3.503 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCCc4ccccc43)c2)C1 ZINC000177448714 861192929 /nfs/dbraw/zinc/19/29/29/861192929.db2.gz TXAALPMRFIQSCI-UPVQGACJSA-N 2 1 391.559 3.941 20 0 GHADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001167465566 841493456 /nfs/dbraw/zinc/49/34/56/841493456.db2.gz XMZJWSKJXRUBNR-XKCSPQBFSA-N 2 1 379.548 3.592 20 0 GHADMP Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044932430 841534932 /nfs/dbraw/zinc/53/49/32/841534932.db2.gz NBSVUYKMZMJWKN-JOCHJYFZSA-N 2 1 388.515 3.709 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000044932430 841534941 /nfs/dbraw/zinc/53/49/41/841534941.db2.gz NBSVUYKMZMJWKN-JOCHJYFZSA-N 2 1 388.515 3.709 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000044932430 841534950 /nfs/dbraw/zinc/53/49/50/841534950.db2.gz NBSVUYKMZMJWKN-JOCHJYFZSA-N 2 1 388.515 3.709 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662799169 841646826 /nfs/dbraw/zinc/64/68/26/841646826.db2.gz UHDMMJASWFRNIL-QZTJIDSGSA-N 2 1 393.934 3.781 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662799169 841646836 /nfs/dbraw/zinc/64/68/36/841646836.db2.gz UHDMMJASWFRNIL-QZTJIDSGSA-N 2 1 393.934 3.781 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000418248301 841699644 /nfs/dbraw/zinc/69/96/44/841699644.db2.gz RXNPIEYQIUQJNW-JOCHJYFZSA-N 2 1 394.563 3.821 20 0 GHADMP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000303461076 841999986 /nfs/dbraw/zinc/99/99/86/841999986.db2.gz LOCGSFBSAJTLPF-LJQANCHMSA-N 2 1 377.532 3.710 20 0 GHADMP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000303461076 841999994 /nfs/dbraw/zinc/99/99/94/841999994.db2.gz LOCGSFBSAJTLPF-LJQANCHMSA-N 2 1 377.532 3.710 20 0 GHADMP O[C@@]1(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000652153538 842013807 /nfs/dbraw/zinc/01/38/07/842013807.db2.gz LUSUPEKOUYNZHB-BJKOFHAPSA-N 2 1 379.548 3.930 20 0 GHADMP O[C@@]1(C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652153538 842013817 /nfs/dbraw/zinc/01/38/17/842013817.db2.gz LUSUPEKOUYNZHB-BJKOFHAPSA-N 2 1 379.548 3.930 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000655689430 861261983 /nfs/dbraw/zinc/26/19/83/861261983.db2.gz DJVMSMGDMVRCHY-YADARESESA-N 2 1 395.547 3.955 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001167827642 842091331 /nfs/dbraw/zinc/09/13/31/842091331.db2.gz UKHJDAWYSBQPCD-REWPJTCUSA-N 2 1 386.584 3.549 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661854328 842241745 /nfs/dbraw/zinc/24/17/45/842241745.db2.gz BEKDMKZGTIVBQY-OAQYLSRUSA-N 2 1 386.584 3.687 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000652334924 842269243 /nfs/dbraw/zinc/26/92/43/842269243.db2.gz UEIDGWSXMPCNAF-VDEHWKIFSA-N 2 1 391.559 3.796 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001167834864 842272032 /nfs/dbraw/zinc/27/20/32/842272032.db2.gz NLGBLMPAOASPDO-HZPDHXFCSA-N 2 1 395.510 3.981 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001167834864 842272037 /nfs/dbraw/zinc/27/20/37/842272037.db2.gz NLGBLMPAOASPDO-HZPDHXFCSA-N 2 1 395.510 3.981 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000661898815 842297071 /nfs/dbraw/zinc/29/70/71/842297071.db2.gz SPRPSSJXIFRZRX-CMKODMSKSA-N 2 1 392.613 3.551 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cs2)c1 ZINC000652348389 842332069 /nfs/dbraw/zinc/33/20/69/842332069.db2.gz BRQCNYADMQZOIO-ZWOKBUDYSA-N 2 1 387.549 3.537 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000511907708 842359907 /nfs/dbraw/zinc/35/99/07/842359907.db2.gz YVOXBGSMHJTLFM-VXKWHMMOSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000511907708 842359918 /nfs/dbraw/zinc/35/99/18/842359918.db2.gz YVOXBGSMHJTLFM-VXKWHMMOSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000511907708 842359931 /nfs/dbraw/zinc/35/99/31/842359931.db2.gz YVOXBGSMHJTLFM-VXKWHMMOSA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)CC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000468919688 842387506 /nfs/dbraw/zinc/38/75/06/842387506.db2.gz JUPNCPMLQAFNBG-SFHVURJKSA-N 2 1 385.474 3.643 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000510480930 842441224 /nfs/dbraw/zinc/44/12/24/842441224.db2.gz LXCVIDKPYVTUHR-HSALFYBXSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000510480930 842441230 /nfs/dbraw/zinc/44/12/30/842441230.db2.gz LXCVIDKPYVTUHR-HSALFYBXSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000510480930 842441250 /nfs/dbraw/zinc/44/12/50/842441250.db2.gz LXCVIDKPYVTUHR-HSALFYBXSA-N 2 1 398.595 3.614 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432425796 842453539 /nfs/dbraw/zinc/45/35/39/842453539.db2.gz NSYHRUWUURVJHD-NKELODKYSA-N 2 1 381.358 3.522 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1=CC[NH+](C)CC1 ZINC000510486768 842532556 /nfs/dbraw/zinc/53/25/56/842532556.db2.gz AVYLYRDVYGQPOD-OALUTQOASA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)C1=CC[N@H+](C)CC1 ZINC000510486768 842532565 /nfs/dbraw/zinc/53/25/65/842532565.db2.gz AVYLYRDVYGQPOD-OALUTQOASA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)C1=CC[N@@H+](C)CC1 ZINC000510486768 842532575 /nfs/dbraw/zinc/53/25/75/842532575.db2.gz AVYLYRDVYGQPOD-OALUTQOASA-N 2 1 384.568 3.511 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000245772321 842615652 /nfs/dbraw/zinc/61/56/52/842615652.db2.gz SBNDOOCBGNKVSY-KSSFIOAISA-N 2 1 379.342 3.887 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000245772321 842615658 /nfs/dbraw/zinc/61/56/58/842615658.db2.gz SBNDOOCBGNKVSY-KSSFIOAISA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000245772321 842615664 /nfs/dbraw/zinc/61/56/64/842615664.db2.gz SBNDOOCBGNKVSY-KSSFIOAISA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=Cc3cc(Br)ccc3OC2)[C@@H](C)C1 ZINC000245772321 842615670 /nfs/dbraw/zinc/61/56/70/842615670.db2.gz SBNDOOCBGNKVSY-KSSFIOAISA-N 2 1 379.342 3.887 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000473214885 842628378 /nfs/dbraw/zinc/62/83/78/842628378.db2.gz RBZMDVHXVDXBPQ-UHFFFAOYSA-N 2 1 375.948 3.689 20 0 GHADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510499998 842788581 /nfs/dbraw/zinc/78/85/81/842788581.db2.gz JNMYYYQAOYGBQF-RTBURBONSA-N 2 1 378.605 3.593 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000471851069 842845208 /nfs/dbraw/zinc/84/52/08/842845208.db2.gz OTFRRIWPIYWJMI-UGKGYDQZSA-N 2 1 383.511 3.826 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)[C@H]1C ZINC000662224606 842960318 /nfs/dbraw/zinc/96/03/18/842960318.db2.gz PIRDAQZLOZHHFE-NVPYSNMXSA-N 2 1 392.676 3.907 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)[C@@H]1C ZINC000662224606 842960324 /nfs/dbraw/zinc/96/03/24/842960324.db2.gz PIRDAQZLOZHHFE-NVPYSNMXSA-N 2 1 392.676 3.907 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)[C@@H]1C ZINC000662224606 842960333 /nfs/dbraw/zinc/96/03/33/842960333.db2.gz PIRDAQZLOZHHFE-NVPYSNMXSA-N 2 1 392.676 3.907 20 0 GHADMP O=C(Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1)Nc1ccccc1 ZINC000662290986 843080948 /nfs/dbraw/zinc/08/09/48/843080948.db2.gz ATMDRCMZOGVIMP-SFHVURJKSA-N 2 1 398.576 3.536 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)[C@@H]1CCC[NH3+] ZINC000662316438 843142682 /nfs/dbraw/zinc/14/26/82/843142682.db2.gz WHYPSELJBLXNNY-VXGBXAGGSA-N 2 1 399.358 3.900 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662388399 843184154 /nfs/dbraw/zinc/18/41/54/843184154.db2.gz OAYDBXVYPJIGCF-HDICACEKSA-N 2 1 377.532 3.698 20 0 GHADMP CCc1cccc(OCC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430930751 843195859 /nfs/dbraw/zinc/19/58/59/843195859.db2.gz YKKQWQSZQRQBCL-UHFFFAOYSA-N 2 1 387.612 3.756 20 0 GHADMP CCc1cccc(OCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430930751 843195862 /nfs/dbraw/zinc/19/58/62/843195862.db2.gz YKKQWQSZQRQBCL-UHFFFAOYSA-N 3 1 387.612 3.756 20 0 GHADMP CCc1cccc(OCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430930751 843195867 /nfs/dbraw/zinc/19/58/67/843195867.db2.gz YKKQWQSZQRQBCL-UHFFFAOYSA-N 3 1 387.612 3.756 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000162159522 843209099 /nfs/dbraw/zinc/20/90/99/843209099.db2.gz OSDPTJXOXCKBGY-SQJMNOBHSA-N 2 1 392.591 3.855 20 0 GHADMP COc1cccc(C(=O)N2CCC([N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)CC2)c1 ZINC001167885685 843220656 /nfs/dbraw/zinc/22/06/56/843220656.db2.gz WXFYDVCPUSCAOK-FCHUYYIVSA-N 2 1 399.579 3.639 20 0 GHADMP COc1cccc(C(=O)N2CCC([NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001167885685 843220664 /nfs/dbraw/zinc/22/06/64/843220664.db2.gz WXFYDVCPUSCAOK-FCHUYYIVSA-N 2 1 399.579 3.639 20 0 GHADMP COc1cccc(C(=O)N2CCC([NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001167885685 843220673 /nfs/dbraw/zinc/22/06/73/843220673.db2.gz WXFYDVCPUSCAOK-FCHUYYIVSA-N 2 1 399.579 3.639 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662460148 843291049 /nfs/dbraw/zinc/29/10/49/843291049.db2.gz QMHIOSKKDKHXBM-WOIUINJBSA-N 2 1 383.580 3.792 20 0 GHADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262096065 843331344 /nfs/dbraw/zinc/33/13/44/843331344.db2.gz YXGVMOZBEWWIQD-WMZOPIPTSA-N 2 1 399.501 3.970 20 0 GHADMP c1cc(C[N@H+](CCOCCOc2ccccc2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000432658101 843358183 /nfs/dbraw/zinc/35/81/83/843358183.db2.gz PDBDPRNNPWCYDH-OAQYLSRUSA-N 2 1 386.561 3.788 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000165312544 843363042 /nfs/dbraw/zinc/36/30/42/843363042.db2.gz LTDKXZOINONAHN-TZIWHRDSSA-N 2 1 393.531 3.858 20 0 GHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020969 843445738 /nfs/dbraw/zinc/44/57/38/843445738.db2.gz GGTRXAHNFYEILO-UONOGXRCSA-N 2 1 386.565 3.658 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418657838 843506882 /nfs/dbraw/zinc/50/68/82/843506882.db2.gz INUAABJWYUPWCT-REWPJTCUSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662675154 843513493 /nfs/dbraw/zinc/51/34/93/843513493.db2.gz JUJJACNAZVSVOZ-QVKFZJNVSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662675154 843513499 /nfs/dbraw/zinc/51/34/99/843513499.db2.gz JUJJACNAZVSVOZ-QVKFZJNVSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662675150 843513679 /nfs/dbraw/zinc/51/36/79/843513679.db2.gz JUJJACNAZVSVOZ-BTYIYWSLSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662675150 843513689 /nfs/dbraw/zinc/51/36/89/843513689.db2.gz JUJJACNAZVSVOZ-BTYIYWSLSA-N 2 1 387.474 3.513 20 0 GHADMP COc1cc2c(cc1OC)C[N@@H+](CCNc1cc[nH+]c3cc(F)ccc13)CC2 ZINC000500481192 843514713 /nfs/dbraw/zinc/51/47/13/843514713.db2.gz AGILGGAQJUZHTR-UHFFFAOYSA-N 2 1 381.451 3.861 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182376491 843542713 /nfs/dbraw/zinc/54/27/13/843542713.db2.gz STVIUSUHLCKSEW-DENIHFKCSA-N 2 1 398.595 3.735 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000673705875 861430109 /nfs/dbraw/zinc/43/01/09/861430109.db2.gz CXBFILCWXHIUTD-GGAORHGYSA-N 2 1 398.595 3.587 20 0 GHADMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253622 843728122 /nfs/dbraw/zinc/72/81/22/843728122.db2.gz NCGKPDHVMDEUFG-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253622 843728130 /nfs/dbraw/zinc/72/81/30/843728130.db2.gz NCGKPDHVMDEUFG-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP C[NH+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253622 843728136 /nfs/dbraw/zinc/72/81/36/843728136.db2.gz NCGKPDHVMDEUFG-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP C[NH+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253622 843728145 /nfs/dbraw/zinc/72/81/45/843728145.db2.gz NCGKPDHVMDEUFG-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC([NH+]3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512425031 843758100 /nfs/dbraw/zinc/75/81/00/843758100.db2.gz WRZAYGRIECXINE-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccc(Br)cc1 ZINC000052005620 843984739 /nfs/dbraw/zinc/98/47/39/843984739.db2.gz NTBGTVFEZKDCAG-UHFFFAOYSA-N 2 1 394.357 3.728 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCCc1ccccc1 ZINC000052802881 844833220 /nfs/dbraw/zinc/83/32/20/844833220.db2.gz KDHONFCXHKIXNK-OAQYLSRUSA-N 2 1 393.575 3.720 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCCCCCCC[NH+]3CCCC3)CC2)[nH+]c1 ZINC000729342452 844863553 /nfs/dbraw/zinc/86/35/53/844863553.db2.gz YWPFAYJIQQLABH-UHFFFAOYSA-N 2 1 386.584 3.769 20 0 GHADMP c1ccc([C@@H]2C[C@@H]2C[N@H+]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000512662756 844918117 /nfs/dbraw/zinc/91/81/17/844918117.db2.gz ADMZIPATLDIJBO-QTJGBDASSA-N 2 1 390.575 3.719 20 0 GHADMP Cc1ccccc1CNC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433108878 845317825 /nfs/dbraw/zinc/31/78/25/845317825.db2.gz BHIOPMDDVDFXPR-UHFFFAOYSA-N 2 1 391.559 3.599 20 0 GHADMP CC(C)CC[NH+]1CCC([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000926330281 845353399 /nfs/dbraw/zinc/35/33/99/845353399.db2.gz KHUMYYMGUIUHCM-UHFFFAOYSA-N 2 1 375.523 3.892 20 0 GHADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179395015 861563219 /nfs/dbraw/zinc/56/32/19/861563219.db2.gz JDZZQRDSRGTFHL-LJQANCHMSA-N 2 1 390.535 3.962 20 0 GHADMP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179396978 861563262 /nfs/dbraw/zinc/56/32/62/861563262.db2.gz HUFXIDUNWKBRLX-HXUWFJFHSA-N 2 1 394.563 3.633 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(OC(F)F)ccc4ccccc43)C2)CC1 ZINC000513467608 845493218 /nfs/dbraw/zinc/49/32/18/845493218.db2.gz XJYBPFJOGYLBNS-SFHVURJKSA-N 2 1 389.490 3.653 20 0 GHADMP COCC[NH+](CCOC)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000512801858 845569293 /nfs/dbraw/zinc/56/92/93/845569293.db2.gz OVVJBYFJNOJNBR-UHFFFAOYSA-N 2 1 380.532 3.816 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000472103710 845882958 /nfs/dbraw/zinc/88/29/58/845882958.db2.gz IKXSPLXWWNGZDF-UHFFFAOYSA-N 2 1 389.519 3.583 20 0 GHADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000657308704 845972199 /nfs/dbraw/zinc/97/21/99/845972199.db2.gz ARHUTFVYDDNAOC-FQEVSTJZSA-N 2 1 382.548 3.897 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513668432 846215400 /nfs/dbraw/zinc/21/54/00/846215400.db2.gz YNCRVUITQLFRIV-KMDXXIMOSA-N 2 1 391.559 3.827 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000502648098 846313788 /nfs/dbraw/zinc/31/37/88/846313788.db2.gz MEZLDOMORNTTKO-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000509954239 846315999 /nfs/dbraw/zinc/31/59/99/846315999.db2.gz DBTYLEKCZYACCM-CALCHBBNSA-N 2 1 376.495 3.916 20 0 GHADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000513691089 846338732 /nfs/dbraw/zinc/33/87/32/846338732.db2.gz QUFVNWHSKTVDJF-JZXOWHBKSA-N 2 1 394.357 3.549 20 0 GHADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000513691090 846339511 /nfs/dbraw/zinc/33/95/11/846339511.db2.gz QUFVNWHSKTVDJF-LZLYRXPVSA-N 2 1 394.357 3.549 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000502849156 846542744 /nfs/dbraw/zinc/54/27/44/846542744.db2.gz WOZFWJDVSRYWRZ-MYGLTJDJSA-N 2 1 394.648 3.802 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000502862006 846568520 /nfs/dbraw/zinc/56/85/20/846568520.db2.gz NWIMOWYZDDHYOE-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000502862006 846568526 /nfs/dbraw/zinc/56/85/26/846568526.db2.gz NWIMOWYZDDHYOE-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000502862006 846568533 /nfs/dbraw/zinc/56/85/33/846568533.db2.gz NWIMOWYZDDHYOE-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[N@H+](Cc1ccc(OCC(F)(F)F)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501068457 846600172 /nfs/dbraw/zinc/60/01/72/846600172.db2.gz MKEPWIILAGORTD-UHFFFAOYSA-N 2 1 394.441 3.766 20 0 GHADMP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501084371 846628380 /nfs/dbraw/zinc/62/83/80/846628380.db2.gz WSPADVBEXYMLML-XMMPIXPASA-N 2 1 395.547 3.988 20 0 GHADMP CC(C)N(C(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(C)C ZINC000161198209 846710914 /nfs/dbraw/zinc/71/09/14/846710914.db2.gz CIVSBKPUJYVQMB-LJQANCHMSA-N 2 1 388.600 3.910 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000503042560 846744921 /nfs/dbraw/zinc/74/49/21/846744921.db2.gz FBLDQNGTDQXUQK-UHFFFAOYSA-N 2 1 396.579 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000503042560 846744928 /nfs/dbraw/zinc/74/49/28/846744928.db2.gz FBLDQNGTDQXUQK-UHFFFAOYSA-N 2 1 396.579 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000503074599 846777747 /nfs/dbraw/zinc/77/77/47/846777747.db2.gz LIAJBJPFSVHWJX-ZWKOTPCHSA-N 2 1 382.552 3.658 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000503074599 846777756 /nfs/dbraw/zinc/77/77/56/846777756.db2.gz LIAJBJPFSVHWJX-ZWKOTPCHSA-N 2 1 382.552 3.658 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000604083535 861738704 /nfs/dbraw/zinc/73/87/04/861738704.db2.gz OUJCXFCZONGAKQ-GOTSBHOMSA-N 2 1 394.563 3.562 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC([C@H]4CCC[NH2+]4)CC3)c2c1C ZINC000420221642 847061889 /nfs/dbraw/zinc/06/18/89/847061889.db2.gz UQCQDXNYOPCINY-GOSISDBHSA-N 2 1 399.608 3.872 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(C(F)(F)F)nn2C)C[N@H+]1Cc1ccccc1 ZINC000657415240 847083053 /nfs/dbraw/zinc/08/30/53/847083053.db2.gz GVKOURCEMPRGQG-RDJZCZTQSA-N 2 1 380.458 3.829 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(C(F)(F)F)nn2C)C[N@H+]1Cc1ccccc1 ZINC000657415241 847083248 /nfs/dbraw/zinc/08/32/48/847083248.db2.gz GVKOURCEMPRGQG-WBVHZDCISA-N 2 1 380.458 3.829 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1 ZINC000420312795 847110176 /nfs/dbraw/zinc/11/01/76/847110176.db2.gz XHRWPHOGIRASLN-KRWDZBQOSA-N 2 1 390.549 3.609 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1 ZINC000420312795 847110181 /nfs/dbraw/zinc/11/01/81/847110181.db2.gz XHRWPHOGIRASLN-KRWDZBQOSA-N 2 1 390.549 3.609 20 0 GHADMP CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319406 847114495 /nfs/dbraw/zinc/11/44/95/847114495.db2.gz PMOWBVOHRDSKFU-AEFFLSMTSA-N 2 1 394.519 3.687 20 0 GHADMP CC[C@@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319406 847114505 /nfs/dbraw/zinc/11/45/05/847114505.db2.gz PMOWBVOHRDSKFU-AEFFLSMTSA-N 2 1 394.519 3.687 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(c1ccccc1)c1ccccc1 ZINC000420407884 847170953 /nfs/dbraw/zinc/17/09/53/847170953.db2.gz VSQSACWPLSPGFY-GOTSBHOMSA-N 2 1 391.559 3.746 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)C[C@@H](C)O1 ZINC000582453354 847286970 /nfs/dbraw/zinc/28/69/70/847286970.db2.gz GQCZENQWTKIZJV-IAGOWNOFSA-N 2 1 395.613 3.531 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4c(c3)OCCCCO4)CC2)oc1C ZINC000582467013 847321426 /nfs/dbraw/zinc/32/14/26/847321426.db2.gz HPBUNRNVDWFUDI-UHFFFAOYSA-N 2 1 399.535 3.845 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C)nc4sc(C)c(C)c43)CC2)CC1 ZINC000420633413 847340929 /nfs/dbraw/zinc/34/09/29/847340929.db2.gz YJZXFMSDDFASEA-UHFFFAOYSA-N 2 1 387.597 3.613 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C)nc4sc(C)c(C)c43)CC2)CC1 ZINC000420633413 847340934 /nfs/dbraw/zinc/34/09/34/847340934.db2.gz YJZXFMSDDFASEA-UHFFFAOYSA-N 2 1 387.597 3.613 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(-c2ccccc2)ns1 ZINC000503278662 847546142 /nfs/dbraw/zinc/54/61/42/847546142.db2.gz VMFPLNAIQCHQAL-UHFFFAOYSA-N 2 1 399.608 3.838 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503335214 847600406 /nfs/dbraw/zinc/60/04/06/847600406.db2.gz IPRPFCHPJWTILJ-LRQRDZAKSA-N 2 1 395.950 3.995 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503335214 847600412 /nfs/dbraw/zinc/60/04/12/847600412.db2.gz IPRPFCHPJWTILJ-LRQRDZAKSA-N 2 1 395.950 3.995 20 0 GHADMP CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503335214 847600420 /nfs/dbraw/zinc/60/04/20/847600420.db2.gz IPRPFCHPJWTILJ-LRQRDZAKSA-N 2 1 395.950 3.995 20 0 GHADMP CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503335214 847600426 /nfs/dbraw/zinc/60/04/26/847600426.db2.gz IPRPFCHPJWTILJ-LRQRDZAKSA-N 2 1 395.950 3.995 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503335213 847600503 /nfs/dbraw/zinc/60/05/03/847600503.db2.gz IPRPFCHPJWTILJ-LKUPVBHCSA-N 2 1 395.950 3.995 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503335213 847600510 /nfs/dbraw/zinc/60/05/10/847600510.db2.gz IPRPFCHPJWTILJ-LKUPVBHCSA-N 2 1 395.950 3.995 20 0 GHADMP CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503335213 847600517 /nfs/dbraw/zinc/60/05/17/847600517.db2.gz IPRPFCHPJWTILJ-LKUPVBHCSA-N 2 1 395.950 3.995 20 0 GHADMP CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503335213 847600524 /nfs/dbraw/zinc/60/05/24/847600524.db2.gz IPRPFCHPJWTILJ-LKUPVBHCSA-N 2 1 395.950 3.995 20 0 GHADMP CN1c2ccccc2[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000582575982 847675019 /nfs/dbraw/zinc/67/50/19/847675019.db2.gz PEIIMSWZBXUBPA-IFMALSPDSA-N 2 1 377.532 3.986 20 0 GHADMP CN1c2ccccc2[C@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000582575982 847675028 /nfs/dbraw/zinc/67/50/28/847675028.db2.gz PEIIMSWZBXUBPA-IFMALSPDSA-N 2 1 377.532 3.986 20 0 GHADMP CN1c2ccccc2[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000582575982 847675034 /nfs/dbraw/zinc/67/50/34/847675034.db2.gz PEIIMSWZBXUBPA-IFMALSPDSA-N 2 1 377.532 3.986 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733408 847788397 /nfs/dbraw/zinc/78/83/97/847788397.db2.gz QXYUMTUJSZMFAT-ORYQWCPZSA-N 2 1 391.481 3.828 20 0 GHADMP C[C@H]([NH2+]CCSCCOc1cccc(Br)c1)c1c[nH+]ccc1N ZINC000422719670 847795336 /nfs/dbraw/zinc/79/53/36/847795336.db2.gz ZBSAEMASWYKIMT-ZDUSSCGKSA-N 2 1 396.354 3.719 20 0 GHADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422727989 847801074 /nfs/dbraw/zinc/80/10/74/847801074.db2.gz IMWVJIOPDWEJGX-RXVVDRJESA-N 2 1 395.551 3.804 20 0 GHADMP C[N@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764232 847824024 /nfs/dbraw/zinc/82/40/24/847824024.db2.gz PPQWPIOXVBWYRS-QRTFOUQQSA-N 2 1 381.486 3.961 20 0 GHADMP CN1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764232 847824026 /nfs/dbraw/zinc/82/40/26/847824026.db2.gz PPQWPIOXVBWYRS-QRTFOUQQSA-N 2 1 381.486 3.961 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000237172337 847858508 /nfs/dbraw/zinc/85/85/08/847858508.db2.gz UMVALPHVISCHFH-UHFFFAOYSA-N 2 1 389.490 3.874 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423005671 847934139 /nfs/dbraw/zinc/93/41/39/847934139.db2.gz MUDYSHKPHNOTOX-KRWDZBQOSA-N 3 1 378.520 3.925 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000423005671 847934143 /nfs/dbraw/zinc/93/41/43/847934143.db2.gz MUDYSHKPHNOTOX-KRWDZBQOSA-N 2 1 378.520 3.925 20 0 GHADMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nc12 ZINC000423039779 847951438 /nfs/dbraw/zinc/95/14/38/847951438.db2.gz RPMKLASDEGBVHM-OKZBNKHCSA-N 2 1 391.357 3.806 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000582714791 848122720 /nfs/dbraw/zinc/12/27/20/848122720.db2.gz IUTQPCPIRFSHRA-QSFXBCCZSA-N 2 1 386.565 3.650 20 0 GHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1cccnc1OC1CCCC1 ZINC000582719528 848135089 /nfs/dbraw/zinc/13/50/89/848135089.db2.gz DBEGDSWSMSEZHC-REWPJTCUSA-N 2 1 379.504 3.749 20 0 GHADMP COc1cc(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657594631 848285916 /nfs/dbraw/zinc/28/59/16/848285916.db2.gz CLXIGGFEJXCEFX-KRWDZBQOSA-N 2 1 395.330 3.858 20 0 GHADMP COc1ccc2cc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)ccc2c1 ZINC000657595231 848288000 /nfs/dbraw/zinc/28/80/00/848288000.db2.gz NLCKEUDCSZIUCL-QHCPKHFHSA-N 2 1 376.500 3.705 20 0 GHADMP C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)CC(C)(C)C[NH3+] ZINC000582785306 848376024 /nfs/dbraw/zinc/37/60/24/848376024.db2.gz AHRCONGXPAKSSU-UHFFFAOYSA-N 2 1 392.341 3.840 20 0 GHADMP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)CC(C)(C)C[NH3+] ZINC000582785306 848376034 /nfs/dbraw/zinc/37/60/34/848376034.db2.gz AHRCONGXPAKSSU-UHFFFAOYSA-N 2 1 392.341 3.840 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000766036039 861915301 /nfs/dbraw/zinc/91/53/01/861915301.db2.gz DWOJBQJTKJKMEZ-BVYCBKJFSA-N 2 1 376.585 3.744 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)c2)C[C@@H](C)O1 ZINC000582903293 848674634 /nfs/dbraw/zinc/67/46/34/848674634.db2.gz ZNNWRQKWHKFUBY-HMFYCAOWSA-N 2 1 395.547 3.961 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H](C)C2=CC[NH+](C)CC2)c1 ZINC000511230150 848956693 /nfs/dbraw/zinc/95/66/93/848956693.db2.gz QYPVQZAGGBRCFJ-LJQANCHMSA-N 2 1 386.584 3.758 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000511230150 848956697 /nfs/dbraw/zinc/95/66/97/848956697.db2.gz QYPVQZAGGBRCFJ-LJQANCHMSA-N 2 1 386.584 3.758 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000511230150 848956700 /nfs/dbraw/zinc/95/67/00/848956700.db2.gz QYPVQZAGGBRCFJ-LJQANCHMSA-N 2 1 386.584 3.758 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000673881320 862030490 /nfs/dbraw/zinc/03/04/90/862030490.db2.gz LUAXHCSUIMWXQI-QHCPKHFHSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423191889 849797753 /nfs/dbraw/zinc/79/77/53/849797753.db2.gz TXRYDUYYSUOVKD-OALUTQOASA-N 2 1 380.374 3.534 20 0 GHADMP CC[N@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000583408259 849816939 /nfs/dbraw/zinc/81/69/39/849816939.db2.gz ORJDQQZWTDPXAY-UHFFFAOYSA-N 2 1 398.473 3.753 20 0 GHADMP CC[N@@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000583408259 849816944 /nfs/dbraw/zinc/81/69/44/849816944.db2.gz ORJDQQZWTDPXAY-UHFFFAOYSA-N 2 1 398.473 3.753 20 0 GHADMP [NH3+]C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000423521136 849966598 /nfs/dbraw/zinc/96/65/98/849966598.db2.gz FUYRMUBLHIULOR-FKPFYYGDSA-N 2 1 379.592 3.925 20 0 GHADMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749971 849972606 /nfs/dbraw/zinc/97/26/06/849972606.db2.gz QHJBIQYIOURINU-GJZGRUSLSA-N 2 1 386.367 3.964 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000600473385 862086316 /nfs/dbraw/zinc/08/63/16/862086316.db2.gz DWCQBHCAMPLXPG-NRFANRHFSA-N 2 1 389.559 3.810 20 0 GHADMP C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423876932 850082432 /nfs/dbraw/zinc/08/24/32/850082432.db2.gz SMAFJUPQPFPLAA-NYVOZVTQSA-N 2 1 379.548 3.739 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000486832983 850137237 /nfs/dbraw/zinc/13/72/37/850137237.db2.gz JSBDKKNHUXCKKZ-BVYCBKJFSA-N 2 1 387.568 3.602 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000486832983 850137244 /nfs/dbraw/zinc/13/72/44/850137244.db2.gz JSBDKKNHUXCKKZ-BVYCBKJFSA-N 2 1 387.568 3.602 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1)C[C@@H]1CCCCO1 ZINC000486832983 850137249 /nfs/dbraw/zinc/13/72/49/850137249.db2.gz JSBDKKNHUXCKKZ-BVYCBKJFSA-N 2 1 387.568 3.602 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424294399 850338577 /nfs/dbraw/zinc/33/85/77/850338577.db2.gz QCLHCKKIJOJYPC-REWPJTCUSA-N 2 1 391.559 3.551 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)CC[NH2+]CC2 ZINC000424301627 850341299 /nfs/dbraw/zinc/34/12/99/850341299.db2.gz XWNGRXAEIWKGRY-JTSKRJEESA-N 2 1 387.543 3.637 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(-c3ccccc3)nc1-c1cccnc1)CC[NH2+]CC2 ZINC000424370014 850410053 /nfs/dbraw/zinc/41/00/53/850410053.db2.gz BYDSAFKTXYNIFE-LJQANCHMSA-N 2 1 387.531 3.898 20 0 GHADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000504893826 850421003 /nfs/dbraw/zinc/42/10/03/850421003.db2.gz IHVLVLLIEIOOHK-XMSQKQJNSA-N 2 1 377.532 3.721 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435373339 850421110 /nfs/dbraw/zinc/42/11/10/850421110.db2.gz DRPDAUIIYDCFFF-YUXAGFNASA-N 2 1 379.504 3.507 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000435376679 850424330 /nfs/dbraw/zinc/42/43/30/850424330.db2.gz SXAZXUGLJYFQGA-UHFFFAOYSA-N 2 1 390.531 3.791 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000435376679 850424335 /nfs/dbraw/zinc/42/43/35/850424335.db2.gz SXAZXUGLJYFQGA-UHFFFAOYSA-N 2 1 390.531 3.791 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@@H]3C)CC2)CC1 ZINC000569708656 850486241 /nfs/dbraw/zinc/48/62/41/850486241.db2.gz VNMLSESVQZQVPA-JXALWOEJSA-N 2 1 397.607 3.976 20 0 GHADMP COc1ccc2cc(C[N@H+](Cc3nccn3C)[C@H]3CC34CC[NH2+]CC4)ccc2c1 ZINC000435427179 850510809 /nfs/dbraw/zinc/51/08/09/850510809.db2.gz LUXDFEDXPQTVST-QFIPXVFZSA-N 2 1 390.531 3.726 20 0 GHADMP COc1ccc2cc(C[N@@H+](Cc3nccn3C)[C@H]3CC34CC[NH2+]CC4)ccc2c1 ZINC000435427179 850510813 /nfs/dbraw/zinc/51/08/13/850510813.db2.gz LUXDFEDXPQTVST-QFIPXVFZSA-N 2 1 390.531 3.726 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000519043111 850545541 /nfs/dbraw/zinc/54/55/41/850545541.db2.gz LNELNXYUOBGAEL-AOIWGVFYSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000519043111 850545551 /nfs/dbraw/zinc/54/55/51/850545551.db2.gz LNELNXYUOBGAEL-AOIWGVFYSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000519043111 850545556 /nfs/dbraw/zinc/54/55/56/850545556.db2.gz LNELNXYUOBGAEL-AOIWGVFYSA-N 2 1 380.602 3.551 20 0 GHADMP Cn1ccnc1C[N@H+](CCSc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435679913 850743573 /nfs/dbraw/zinc/74/35/73/850743573.db2.gz CUPIZJDXQZSAPW-GOSISDBHSA-N 2 1 390.984 3.810 20 0 GHADMP Cn1ccnc1C[N@@H+](CCSc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435679913 850743577 /nfs/dbraw/zinc/74/35/77/850743577.db2.gz CUPIZJDXQZSAPW-GOSISDBHSA-N 2 1 390.984 3.810 20 0 GHADMP Cc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc(C)c1OCc1ccccn1 ZINC000668784152 850745959 /nfs/dbraw/zinc/74/59/59/850745959.db2.gz BKTGOFDHQVZYDI-HSZRJFAPSA-N 2 1 397.563 3.820 20 0 GHADMP Cc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc(C)c1OCc1ccccn1 ZINC000668784152 850745967 /nfs/dbraw/zinc/74/59/67/850745967.db2.gz BKTGOFDHQVZYDI-HSZRJFAPSA-N 2 1 397.563 3.820 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)[NH+]2CCCCC2)cc1 ZINC000519227220 850781974 /nfs/dbraw/zinc/78/19/74/850781974.db2.gz CPNCTGZEWAEAKN-WZONZLPQSA-N 2 1 399.579 3.601 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000440145332 850830934 /nfs/dbraw/zinc/83/09/34/850830934.db2.gz NULVEZQSDDWEAW-QHCPKHFHSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440145332 850830940 /nfs/dbraw/zinc/83/09/40/850830940.db2.gz NULVEZQSDDWEAW-QHCPKHFHSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440145332 850830943 /nfs/dbraw/zinc/83/09/43/850830943.db2.gz NULVEZQSDDWEAW-QHCPKHFHSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000515301944 850891768 /nfs/dbraw/zinc/89/17/68/850891768.db2.gz VUSFQRYDNGAKSX-CVDCTZTESA-N 2 1 391.559 3.794 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)cc2)C1 ZINC000440259922 850974018 /nfs/dbraw/zinc/97/40/18/850974018.db2.gz MJRCPTWWESTYME-GCJKJVERSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2)C1 ZINC000440259922 850974027 /nfs/dbraw/zinc/97/40/27/850974027.db2.gz MJRCPTWWESTYME-GCJKJVERSA-N 2 1 385.552 3.753 20 0 GHADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)C1 ZINC000440259922 850974033 /nfs/dbraw/zinc/97/40/33/850974033.db2.gz MJRCPTWWESTYME-GCJKJVERSA-N 2 1 385.552 3.753 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000487927582 850996960 /nfs/dbraw/zinc/99/69/60/850996960.db2.gz ZXQTVIPRIVJGFV-RBBKRZOGSA-N 2 1 388.600 3.705 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1)CC1CC1 ZINC000434355660 851025612 /nfs/dbraw/zinc/02/56/12/851025612.db2.gz PECVPRYBNCJFCL-QFIPXVFZSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1)CC1CC1 ZINC000434355660 851025621 /nfs/dbraw/zinc/02/56/21/851025621.db2.gz PECVPRYBNCJFCL-QFIPXVFZSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1)CC1CC1 ZINC000434355660 851025632 /nfs/dbraw/zinc/02/56/32/851025632.db2.gz PECVPRYBNCJFCL-QFIPXVFZSA-N 2 1 390.616 3.547 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519418354 851040551 /nfs/dbraw/zinc/04/05/51/851040551.db2.gz SVLPSBZIYMOFSR-JOCHJYFZSA-N 2 1 397.538 3.628 20 0 GHADMP COC(=O)[C@@H](CC[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000425433679 851068262 /nfs/dbraw/zinc/06/82/62/851068262.db2.gz MKZUFFCXWPMYTA-UXHICEINSA-N 2 1 381.520 3.664 20 0 GHADMP COC(=O)[C@@H](CC[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000425433679 851068269 /nfs/dbraw/zinc/06/82/69/851068269.db2.gz MKZUFFCXWPMYTA-UXHICEINSA-N 2 1 381.520 3.664 20 0 GHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000488147042 851204144 /nfs/dbraw/zinc/20/41/44/851204144.db2.gz YNVQJEROFKCDQH-SXWKCWPCSA-N 2 1 398.595 3.544 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488178246 851230380 /nfs/dbraw/zinc/23/03/80/851230380.db2.gz GVRTVPNATGCOLF-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550079950 851423826 /nfs/dbraw/zinc/42/38/26/851423826.db2.gz OTGLATUCRFMFIB-SIKLNZKXSA-N 2 1 388.552 3.511 20 0 GHADMP Fc1cccc(Cl)c1CN1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414882204 851480606 /nfs/dbraw/zinc/48/06/06/851480606.db2.gz RZDKPLGEEGGYAE-UHFFFAOYSA-N 2 1 390.934 3.608 20 0 GHADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[C@H]1C ZINC000303146601 851535265 /nfs/dbraw/zinc/53/52/65/851535265.db2.gz FJFPJAPYRGTBFH-ZRCGQRJVSA-N 2 1 385.596 3.771 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000488511800 851576069 /nfs/dbraw/zinc/57/60/69/851576069.db2.gz HOEPHJSPFMCQRH-LSWJPFSZSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000488511800 851576076 /nfs/dbraw/zinc/57/60/76/851576076.db2.gz HOEPHJSPFMCQRH-LSWJPFSZSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000488511800 851576084 /nfs/dbraw/zinc/57/60/84/851576084.db2.gz HOEPHJSPFMCQRH-LSWJPFSZSA-N 2 1 383.580 3.668 20 0 GHADMP CC1(C)C[N@@H+](C[C@H]2CCNC(=O)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835728 851793232 /nfs/dbraw/zinc/79/32/32/851793232.db2.gz GNTIXCDWUWUZGJ-NFBKMPQASA-N 2 1 383.580 3.525 20 0 GHADMP O=C(c1cccc(F)c1)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975484 851799697 /nfs/dbraw/zinc/79/96/97/851799697.db2.gz QNIKJDWPOCDBER-NOTZXAQLSA-N 2 1 399.554 3.673 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccccc1CN1CCSCC1 ZINC000517419521 851925326 /nfs/dbraw/zinc/92/53/26/851925326.db2.gz ORCDBFOWNNUIJA-HDICACEKSA-N 2 1 390.597 3.620 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000517419521 851925334 /nfs/dbraw/zinc/92/53/34/851925334.db2.gz ORCDBFOWNNUIJA-HDICACEKSA-N 2 1 390.597 3.620 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000517419521 851925340 /nfs/dbraw/zinc/92/53/40/851925340.db2.gz ORCDBFOWNNUIJA-HDICACEKSA-N 2 1 390.597 3.620 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438095941 852015957 /nfs/dbraw/zinc/01/59/57/852015957.db2.gz IYAANSSYLPITNO-UHFFFAOYSA-N 2 1 376.570 3.709 20 0 GHADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436544286 852058099 /nfs/dbraw/zinc/05/80/99/852058099.db2.gz BWOXJUKFWTVCLM-UHFFFAOYSA-N 2 1 391.943 3.544 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000517550121 852106996 /nfs/dbraw/zinc/10/69/96/852106996.db2.gz TVZMJMLRRMJJNC-UHFFFAOYSA-N 2 1 397.357 3.963 20 0 GHADMP CC[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000489200419 852109128 /nfs/dbraw/zinc/10/91/28/852109128.db2.gz WWBQATUSFWTJQE-JXFKEZNVSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000489200419 852109131 /nfs/dbraw/zinc/10/91/31/852109131.db2.gz WWBQATUSFWTJQE-JXFKEZNVSA-N 2 1 397.485 3.689 20 0 GHADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000489200419 852109134 /nfs/dbraw/zinc/10/91/34/852109134.db2.gz WWBQATUSFWTJQE-JXFKEZNVSA-N 2 1 397.485 3.689 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000489233956 852151911 /nfs/dbraw/zinc/15/19/11/852151911.db2.gz RDHKAWKIEZOQPJ-AVRDEDQJSA-N 2 1 382.552 3.629 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc(Br)o2)CC1 ZINC000506192528 852161138 /nfs/dbraw/zinc/16/11/38/852161138.db2.gz MQQISEWXNVXRKO-UHFFFAOYSA-N 2 1 392.341 3.816 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(Br)o2)CC1 ZINC000506192528 852161141 /nfs/dbraw/zinc/16/11/41/852161141.db2.gz MQQISEWXNVXRKO-UHFFFAOYSA-N 2 1 392.341 3.816 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516151505 852215251 /nfs/dbraw/zinc/21/52/51/852215251.db2.gz LRPWCWLKXLOBFS-YADHBBJMSA-N 2 1 395.547 3.835 20 0 GHADMP c1cc(C[NH+]2CCC[C@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489361180 852267932 /nfs/dbraw/zinc/26/79/32/852267932.db2.gz MYEXUBCQCMEMNM-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000489361180 852267947 /nfs/dbraw/zinc/26/79/47/852267947.db2.gz MYEXUBCQCMEMNM-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]3COCC[C@@H]32)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000489361180 852267961 /nfs/dbraw/zinc/26/79/61/852267961.db2.gz MYEXUBCQCMEMNM-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP Cc1cc(O[C@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C(C)C ZINC000516207611 852289395 /nfs/dbraw/zinc/28/93/95/852289395.db2.gz CZSFEIIKEFVQHT-GOSISDBHSA-N 2 1 396.535 3.671 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC000570460386 852363933 /nfs/dbraw/zinc/36/39/33/852363933.db2.gz SVDFUWRKPQHQBF-TZIWHRDSSA-N 2 1 377.617 3.904 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000506958461 852385192 /nfs/dbraw/zinc/38/51/92/852385192.db2.gz YRUBLRKFSKNQCB-LRSLUSHPSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506958461 852385196 /nfs/dbraw/zinc/38/51/96/852385196.db2.gz YRUBLRKFSKNQCB-LRSLUSHPSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506958461 852385202 /nfs/dbraw/zinc/38/52/02/852385202.db2.gz YRUBLRKFSKNQCB-LRSLUSHPSA-N 2 1 392.632 3.650 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000489635708 852499639 /nfs/dbraw/zinc/49/96/39/852499639.db2.gz RNOUKKWCEPQGJA-UHFFFAOYSA-N 2 1 383.580 3.764 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000426051074 852517486 /nfs/dbraw/zinc/51/74/86/852517486.db2.gz NWBAIWWDXFJWGZ-JOCHJYFZSA-N 2 1 386.971 3.636 20 0 GHADMP Cc1c2cccc(Cl)c2sc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000516496049 852647338 /nfs/dbraw/zinc/64/73/38/852647338.db2.gz XFGDORDQTSIDRN-KRWDZBQOSA-N 2 1 393.984 3.895 20 0 GHADMP Cc1c2cccc(Cl)c2sc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000516496049 852647342 /nfs/dbraw/zinc/64/73/42/852647342.db2.gz XFGDORDQTSIDRN-KRWDZBQOSA-N 2 1 393.984 3.895 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000438634227 852654415 /nfs/dbraw/zinc/65/44/15/852654415.db2.gz IFAYCRSUXMKGKZ-WMZOPIPTSA-N 2 1 389.506 3.516 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000438634227 852654422 /nfs/dbraw/zinc/65/44/22/852654422.db2.gz IFAYCRSUXMKGKZ-WMZOPIPTSA-N 2 1 389.506 3.516 20 0 GHADMP Cn1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000490015045 852724099 /nfs/dbraw/zinc/72/40/99/852724099.db2.gz SLIBSCFPVNTUED-UHFFFAOYSA-N 2 1 398.551 3.589 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000490137200 852786587 /nfs/dbraw/zinc/78/65/87/852786587.db2.gz POJNQIPTZNTKHE-DEOSSOPVSA-N 2 1 399.554 3.931 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000507387297 852870315 /nfs/dbraw/zinc/87/03/15/852870315.db2.gz ASAFHOPJEMQBND-QFIPXVFZSA-N 2 1 386.584 3.594 20 0 GHADMP C[N@H+](CC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000507400480 852893687 /nfs/dbraw/zinc/89/36/87/852893687.db2.gz GBULTKJLQYEJAS-UHFFFAOYSA-N 2 1 396.922 3.697 20 0 GHADMP C[N@@H+](CC(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000507400480 852893693 /nfs/dbraw/zinc/89/36/93/852893693.db2.gz GBULTKJLQYEJAS-UHFFFAOYSA-N 2 1 396.922 3.697 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000427266518 852909474 /nfs/dbraw/zinc/90/94/74/852909474.db2.gz JVXLCHXOOMXKFW-OAQYLSRUSA-N 2 1 391.559 3.700 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)cc2)C1 ZINC000438899592 853077787 /nfs/dbraw/zinc/07/77/87/853077787.db2.gz ZREDJEAXLGZIAA-VGSWGCGISA-N 2 1 390.531 3.908 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc(CC[NH+](C)C)cc3)C2)s1 ZINC000516877666 853107656 /nfs/dbraw/zinc/10/76/56/853107656.db2.gz ZTTDTKCADFTVDS-HXUWFJFHSA-N 2 1 399.604 3.755 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000623828046 862441087 /nfs/dbraw/zinc/44/10/87/862441087.db2.gz HDMFALQBGGEYSD-FGCOXFRFSA-N 2 1 382.548 3.597 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000623828046 862441090 /nfs/dbraw/zinc/44/10/90/862441090.db2.gz HDMFALQBGGEYSD-FGCOXFRFSA-N 2 1 382.548 3.597 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414979581 853250730 /nfs/dbraw/zinc/25/07/30/853250730.db2.gz VNLBQNWXVIXVGX-INIZCTEOSA-N 2 1 385.346 3.724 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1 ZINC001167987764 853317539 /nfs/dbraw/zinc/31/75/39/853317539.db2.gz MYNGIANONMMQIT-YBVXAUJNSA-N 2 1 389.584 3.581 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000439143902 853339352 /nfs/dbraw/zinc/33/93/52/853339352.db2.gz VITMBNULHLOKBL-ACIOBRDBSA-N 2 1 393.579 3.577 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000519652071 853358271 /nfs/dbraw/zinc/35/82/71/853358271.db2.gz QXUSXDCKPRSEPL-QFIPXVFZSA-N 2 1 391.515 3.645 20 0 GHADMP C[C@@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490956711 853368068 /nfs/dbraw/zinc/36/80/68/853368068.db2.gz AXWLQFCXYPLLKQ-NFBKMPQASA-N 2 1 387.612 3.711 20 0 GHADMP C[C@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490991168 853392106 /nfs/dbraw/zinc/39/21/06/853392106.db2.gz AFCUNSZEHOVDPP-NZQKXSOJSA-N 2 1 387.612 3.711 20 0 GHADMP C[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993694 853393683 /nfs/dbraw/zinc/39/36/83/853393683.db2.gz IDUHCNNWFWEEBM-REWPJTCUSA-N 2 1 381.564 3.567 20 0 GHADMP C[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491000903 853396954 /nfs/dbraw/zinc/39/69/54/853396954.db2.gz XWPWMHSPWUCZCG-HYBUGGRVSA-N 2 1 381.564 3.567 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc2C1 ZINC000491025575 853403952 /nfs/dbraw/zinc/40/39/52/853403952.db2.gz VYFVWPLOYBKALD-DHLKQENFSA-N 2 1 391.559 3.634 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426309901 853407685 /nfs/dbraw/zinc/40/76/85/853407685.db2.gz ISIGAJXRXQSKKR-XMSQKQJNSA-N 2 1 375.516 3.539 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426309901 853407690 /nfs/dbraw/zinc/40/76/90/853407690.db2.gz ISIGAJXRXQSKKR-XMSQKQJNSA-N 2 1 375.516 3.539 20 0 GHADMP c1cn(-c2csc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2)cn1 ZINC000519728441 853413368 /nfs/dbraw/zinc/41/33/68/853413368.db2.gz DZUHPXQGRMUVNB-WOJBJXKFSA-N 2 1 378.545 3.888 20 0 GHADMP c1cn(-c2csc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2)cn1 ZINC000519728441 853413378 /nfs/dbraw/zinc/41/33/78/853413378.db2.gz DZUHPXQGRMUVNB-WOJBJXKFSA-N 2 1 378.545 3.888 20 0 GHADMP c1cn(-c2csc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c2)cn1 ZINC000519728441 853413387 /nfs/dbraw/zinc/41/33/87/853413387.db2.gz DZUHPXQGRMUVNB-WOJBJXKFSA-N 2 1 378.545 3.888 20 0 GHADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057364 853430176 /nfs/dbraw/zinc/43/01/76/853430176.db2.gz LMAVBCKEAJDPTD-HXUWFJFHSA-N 2 1 397.563 3.651 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)CC1 ZINC000517169663 853459204 /nfs/dbraw/zinc/45/92/04/853459204.db2.gz ARYWGUYMMJZHJJ-JOCHJYFZSA-N 2 1 389.559 3.835 20 0 GHADMP CCC1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000519757207 853467473 /nfs/dbraw/zinc/46/74/73/853467473.db2.gz HHXIBQPBZWHXBM-NRFANRHFSA-N 2 1 394.563 3.563 20 0 GHADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Br)cc1 ZINC000604773651 862467907 /nfs/dbraw/zinc/46/79/07/862467907.db2.gz WELGNZGGBWNSIN-BBRMVZONSA-N 2 1 384.362 3.732 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440706775 853548524 /nfs/dbraw/zinc/54/85/24/853548524.db2.gz VNTBHOXXBZFCEU-NRFANRHFSA-N 2 1 387.593 3.889 20 0 GHADMP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CN1C(=O)OC(C)(C)C ZINC001167962315 853581760 /nfs/dbraw/zinc/58/17/60/853581760.db2.gz WQWSUDJMDAEKRK-XAOHYQHJSA-N 2 1 377.573 3.627 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437846355 853588158 /nfs/dbraw/zinc/58/81/58/853588158.db2.gz RMUJKYHZKKXODI-GGAORHGYSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846355 853588170 /nfs/dbraw/zinc/58/81/70/853588170.db2.gz RMUJKYHZKKXODI-GGAORHGYSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437846355 853588175 /nfs/dbraw/zinc/58/81/75/853588175.db2.gz RMUJKYHZKKXODI-GGAORHGYSA-N 2 1 398.595 3.605 20 0 GHADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(Br)c1 ZINC001212145218 853676688 /nfs/dbraw/zinc/67/66/88/853676688.db2.gz OPHDLOCHKVBSIB-HNNXBMFYSA-N 2 1 397.317 3.676 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(OC(F)(F)F)c2)no1 ZINC001212145417 853721507 /nfs/dbraw/zinc/72/15/07/853721507.db2.gz TWFCPPDNIBCVCO-AWEZNQCLSA-N 2 1 390.381 3.942 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000517373112 853722138 /nfs/dbraw/zinc/72/21/38/853722138.db2.gz DGLYHTPWHSBHBO-IAGOWNOFSA-N 2 1 376.438 3.576 20 0 GHADMP COc1ccc2ccccc2c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000518747938 853726558 /nfs/dbraw/zinc/72/65/58/853726558.db2.gz AJKXIRRXGSVEQM-NRFANRHFSA-N 2 1 395.572 3.988 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000571100336 853741797 /nfs/dbraw/zinc/74/17/97/853741797.db2.gz MNPRVLZOYGGFEH-KRWDZBQOSA-N 2 1 394.991 3.724 20 0 GHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000623891422 862505355 /nfs/dbraw/zinc/50/53/55/862505355.db2.gz MCJOMMCCGCAASS-DZGCQCFKSA-N 2 1 393.881 3.511 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407735 853870881 /nfs/dbraw/zinc/87/08/81/853870881.db2.gz KCTBEUBZFNFMDK-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407735 853870884 /nfs/dbraw/zinc/87/08/84/853870884.db2.gz KCTBEUBZFNFMDK-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407735 853870891 /nfs/dbraw/zinc/87/08/91/853870891.db2.gz KCTBEUBZFNFMDK-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000441162050 853959313 /nfs/dbraw/zinc/95/93/13/853959313.db2.gz CMJLUINMBJTYJJ-OTOIZHKDSA-N 2 1 383.580 3.933 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(C(F)(F)F)c1 ZINC000441211808 854004119 /nfs/dbraw/zinc/00/41/19/854004119.db2.gz YTNRFJJTDCIENC-QRQLOZEOSA-N 2 1 386.458 3.658 20 0 GHADMP C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000467418637 854023431 /nfs/dbraw/zinc/02/34/31/854023431.db2.gz OBWCXVUODGUOLP-LIRRHRJNSA-N 2 1 380.891 3.804 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1cccs1 ZINC000164954507 854032839 /nfs/dbraw/zinc/03/28/39/854032839.db2.gz PZYBKCQOLSMTOF-RHSMWYFYSA-N 2 1 375.504 3.747 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1cccs1 ZINC000164954507 854032845 /nfs/dbraw/zinc/03/28/45/854032845.db2.gz PZYBKCQOLSMTOF-RHSMWYFYSA-N 2 1 375.504 3.747 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000588642117 854323313 /nfs/dbraw/zinc/32/33/13/854323313.db2.gz YRZQTTOGMTUPJQ-ICSRJNTNSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000588642117 854323318 /nfs/dbraw/zinc/32/33/18/854323318.db2.gz YRZQTTOGMTUPJQ-ICSRJNTNSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000588642117 854323324 /nfs/dbraw/zinc/32/33/24/854323324.db2.gz YRZQTTOGMTUPJQ-ICSRJNTNSA-N 2 1 389.559 3.664 20 0 GHADMP O=C1C[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993371 854353126 /nfs/dbraw/zinc/35/31/26/854353126.db2.gz OEYOKCLZRQJBHT-LECXIGBMSA-N 2 1 385.577 3.582 20 0 GHADMP O=C1C[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993371 854353136 /nfs/dbraw/zinc/35/31/36/854353136.db2.gz OEYOKCLZRQJBHT-LECXIGBMSA-N 2 1 385.577 3.582 20 0 GHADMP O=C1C[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1ccsc1 ZINC001167993371 854353144 /nfs/dbraw/zinc/35/31/44/854353144.db2.gz OEYOKCLZRQJBHT-LECXIGBMSA-N 2 1 385.577 3.582 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000572643977 854915058 /nfs/dbraw/zinc/91/50/58/854915058.db2.gz YJSQNMQGTCFEEV-UHFFFAOYSA-N 2 1 375.520 3.672 20 0 GHADMP [NH3+]C1(c2noc([C@]3(C(F)(F)F)CC[N@@H+](Cc4ccccc4)C3)n2)CCCCC1 ZINC000572750036 854962967 /nfs/dbraw/zinc/96/29/67/854962967.db2.gz HQSWIXIFWRVCTQ-SFHVURJKSA-N 2 1 394.441 3.894 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189044650 855014429 /nfs/dbraw/zinc/01/44/29/855014429.db2.gz UKDMYQBFBPGLJW-XEVCZEQESA-N 2 1 397.563 3.696 20 0 GHADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)c2C1 ZINC000589571745 855015253 /nfs/dbraw/zinc/01/52/53/855015253.db2.gz BHQDYAXNKDCQKW-HXUWFJFHSA-N 2 1 378.520 3.658 20 0 GHADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)c2C1 ZINC000589571745 855015259 /nfs/dbraw/zinc/01/52/59/855015259.db2.gz BHQDYAXNKDCQKW-HXUWFJFHSA-N 2 1 378.520 3.658 20 0 GHADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cccnc4)C3)c2C1 ZINC000589571745 855015268 /nfs/dbraw/zinc/01/52/68/855015268.db2.gz BHQDYAXNKDCQKW-HXUWFJFHSA-N 2 1 378.520 3.658 20 0 GHADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)c2C1 ZINC000589571745 855015274 /nfs/dbraw/zinc/01/52/74/855015274.db2.gz BHQDYAXNKDCQKW-HXUWFJFHSA-N 2 1 378.520 3.658 20 0 GHADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000623657382 855078279 /nfs/dbraw/zinc/07/82/79/855078279.db2.gz PDIBAHXCRVKQSL-KRWDZBQOSA-N 2 1 380.458 3.772 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000623657382 855078287 /nfs/dbraw/zinc/07/82/87/855078287.db2.gz PDIBAHXCRVKQSL-KRWDZBQOSA-N 2 1 380.458 3.772 20 0 GHADMP CCCOc1cc(Nc2ccc[nH+]c2N)ccc1C(=O)OCC[NH+](CC)CC ZINC001212406145 855088934 /nfs/dbraw/zinc/08/89/34/855088934.db2.gz VWDHLEGYHAZKJF-UHFFFAOYSA-N 2 1 386.496 3.695 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000589665267 855098144 /nfs/dbraw/zinc/09/81/44/855098144.db2.gz ANAZLDDQAPWJKX-BGYRXZFFSA-N 2 1 388.600 3.648 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425420535 855150797 /nfs/dbraw/zinc/15/07/97/855150797.db2.gz MSSAURNDYPCGBE-UHFFFAOYSA-N 2 1 382.552 3.714 20 0 GHADMP O=C([C@H](c1ccccc1)N1CCC(Nc2ccccn2)CC1)N1CCCCC1 ZINC000536370126 855154214 /nfs/dbraw/zinc/15/42/14/855154214.db2.gz LTBLKDRPTRDEPM-QFIPXVFZSA-N 2 1 378.520 3.712 20 0 GHADMP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998842 855220626 /nfs/dbraw/zinc/22/06/26/855220626.db2.gz ZRPUCAODBJAWQU-NJDAHSKKSA-N 2 1 385.596 3.723 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)[C@@H](C)C1 ZINC000624106780 862658683 /nfs/dbraw/zinc/65/86/83/862658683.db2.gz OHMHODBQSMZSIE-TZYHBYERSA-N 2 1 377.532 3.704 20 0 GHADMP COc1cccc(-c2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)c1OC ZINC000590125141 855289986 /nfs/dbraw/zinc/28/99/86/855289986.db2.gz JAJDCOHVDALOKC-UHFFFAOYSA-N 2 1 375.538 3.601 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn3cc(Br)ccc3n2)CC1 ZINC000590818971 855620036 /nfs/dbraw/zinc/62/00/36/855620036.db2.gz NPIJJGZMRIFQGC-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000590818862 855620144 /nfs/dbraw/zinc/62/01/44/855620144.db2.gz CBYMIZRILYVNCY-UHFFFAOYSA-N 2 1 397.563 3.861 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000590818919 855620338 /nfs/dbraw/zinc/62/03/38/855620338.db2.gz IMHSAGKTJBNCBT-LAUBAEHRSA-N 2 1 382.976 3.831 20 0 GHADMP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542777467 855749639 /nfs/dbraw/zinc/74/96/39/855749639.db2.gz GZTMRVGTDQRVGT-MJGOQNOKSA-N 2 1 386.584 3.505 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000591096380 855759724 /nfs/dbraw/zinc/75/97/24/855759724.db2.gz IHVJHWJNLAFHTD-PMACEKPBSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591096380 855759729 /nfs/dbraw/zinc/75/97/29/855759729.db2.gz IHVJHWJNLAFHTD-PMACEKPBSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591096380 855759735 /nfs/dbraw/zinc/75/97/35/855759735.db2.gz IHVJHWJNLAFHTD-PMACEKPBSA-N 2 1 387.568 3.544 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000057887886 855769476 /nfs/dbraw/zinc/76/94/76/855769476.db2.gz BDHDZYLYHJGGJG-IBGZPJMESA-N 2 1 394.563 3.926 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000482139384 862725642 /nfs/dbraw/zinc/72/56/42/862725642.db2.gz DCNYEVURSOMOKL-DOTOQJQBSA-N 2 1 396.373 3.878 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@H](C)C1 ZINC000482121811 862731886 /nfs/dbraw/zinc/73/18/86/862731886.db2.gz LYUFFTGQUVOVSJ-SJBKTWHCSA-N 2 1 393.641 3.687 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000482121811 862731895 /nfs/dbraw/zinc/73/18/95/862731895.db2.gz LYUFFTGQUVOVSJ-SJBKTWHCSA-N 2 1 393.641 3.687 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H](C)C1 ZINC000482121811 862731908 /nfs/dbraw/zinc/73/19/08/862731908.db2.gz LYUFFTGQUVOVSJ-SJBKTWHCSA-N 2 1 393.641 3.687 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000765889273 855909615 /nfs/dbraw/zinc/90/96/15/855909615.db2.gz YKYIEWBJWNYVBN-SDXIKQIGSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1cccc(-n2cnnn2)c1 ZINC000156180963 856086954 /nfs/dbraw/zinc/08/69/54/856086954.db2.gz CUFKEDPYJYIEMC-MOPGFXCFSA-N 2 1 390.535 3.888 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000905132147 856180696 /nfs/dbraw/zinc/18/06/96/856180696.db2.gz JYCCJLBBKOCRSL-XWSHUIEDSA-N 2 1 388.577 3.595 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000905132147 856180700 /nfs/dbraw/zinc/18/07/00/856180700.db2.gz JYCCJLBBKOCRSL-XWSHUIEDSA-N 2 1 388.577 3.595 20 0 GHADMP CC[C@@]1(C(C)C)C[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459173922 856215105 /nfs/dbraw/zinc/21/51/05/856215105.db2.gz YAVAVEXNFXKQSC-GMAHTHKFSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000729525013 856234105 /nfs/dbraw/zinc/23/41/05/856234105.db2.gz COMUKSZKYUVEDB-WOJBJXKFSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385834 856425787 /nfs/dbraw/zinc/42/57/87/856425787.db2.gz OLUJTQKEGAWGOD-CUWPLCDZSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485385834 856425790 /nfs/dbraw/zinc/42/57/90/856425790.db2.gz OLUJTQKEGAWGOD-CUWPLCDZSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385834 856425797 /nfs/dbraw/zinc/42/57/97/856425797.db2.gz OLUJTQKEGAWGOD-CUWPLCDZSA-N 2 1 397.950 3.946 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1cccs1 ZINC000573695541 856441995 /nfs/dbraw/zinc/44/19/95/856441995.db2.gz PYFJLLKORYKMAR-OXJNMPFZSA-N 2 1 384.549 3.598 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000074352699 856646345 /nfs/dbraw/zinc/64/63/45/856646345.db2.gz QENNZWLGNYIWLK-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CCCc3ccc4c(c3)CCO4)c2)CCO1 ZINC000482233611 862832683 /nfs/dbraw/zinc/83/26/83/862832683.db2.gz HECZRZINFMAQHY-LJQANCHMSA-N 2 1 380.532 3.565 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCCc3ccc4c(c3)CCO4)c2)CCO1 ZINC000482233611 862832691 /nfs/dbraw/zinc/83/26/91/862832691.db2.gz HECZRZINFMAQHY-LJQANCHMSA-N 2 1 380.532 3.565 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OC ZINC000658141268 856793743 /nfs/dbraw/zinc/79/37/43/856793743.db2.gz WIGAIULJOOGCGU-KGVIQGDOSA-N 2 1 398.547 3.552 20 0 GHADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)oc21 ZINC000658142459 856796335 /nfs/dbraw/zinc/79/63/35/856796335.db2.gz YKDCISOFYXIXCJ-OXQOHEQNSA-N 2 1 380.488 3.859 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000658144711 856808598 /nfs/dbraw/zinc/80/85/98/856808598.db2.gz NPKOTPVZVFUKRX-SFTDATJTSA-N 2 1 384.520 3.511 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000508088742 856885732 /nfs/dbraw/zinc/88/57/32/856885732.db2.gz LNIUXEHYJHLMJB-IBGZPJMESA-N 2 1 396.579 3.535 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCC2 ZINC000499502090 857017625 /nfs/dbraw/zinc/01/76/25/857017625.db2.gz XBCVTAMAYNCPNS-SFHVURJKSA-N 2 1 377.598 3.505 20 0 GHADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185682 862873275 /nfs/dbraw/zinc/87/32/75/862873275.db2.gz MYIWBBCKZJHUCG-APWZRJJASA-N 2 1 385.474 3.546 20 0 GHADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185682 862873295 /nfs/dbraw/zinc/87/32/95/862873295.db2.gz MYIWBBCKZJHUCG-APWZRJJASA-N 2 1 385.474 3.546 20 0 GHADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185682 862873312 /nfs/dbraw/zinc/87/33/12/862873312.db2.gz MYIWBBCKZJHUCG-APWZRJJASA-N 2 1 385.474 3.546 20 0 GHADMP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665257780 857159801 /nfs/dbraw/zinc/15/98/01/857159801.db2.gz USNUCDLGZVBTDX-JJEOQYAHSA-N 2 1 385.527 3.562 20 0 GHADMP COc1ccc(Br)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961965 857187154 /nfs/dbraw/zinc/18/71/54/857187154.db2.gz WGRWVUXMZKTJQF-UHFFFAOYSA-N 2 1 397.357 3.535 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625700259 862883075 /nfs/dbraw/zinc/88/30/75/862883075.db2.gz JZWAAHRHFPNFPR-QGZVFWFLSA-N 2 1 380.355 3.982 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625700259 862883091 /nfs/dbraw/zinc/88/30/91/862883091.db2.gz JZWAAHRHFPNFPR-QGZVFWFLSA-N 2 1 380.355 3.982 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000428224289 857205154 /nfs/dbraw/zinc/20/51/54/857205154.db2.gz CJDNVAAZMSBPAL-WSOYEBOPSA-N 3 1 399.623 3.504 20 0 GHADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000428224289 857205160 /nfs/dbraw/zinc/20/51/60/857205160.db2.gz CJDNVAAZMSBPAL-WSOYEBOPSA-N 3 1 399.623 3.504 20 0 GHADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428224289 857205167 /nfs/dbraw/zinc/20/51/67/857205167.db2.gz CJDNVAAZMSBPAL-WSOYEBOPSA-N 3 1 399.623 3.504 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)CCO2 ZINC000766122771 857269850 /nfs/dbraw/zinc/26/98/50/857269850.db2.gz OJJYPTOHKNDYIG-VABKMULXSA-N 2 1 380.532 3.545 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc2c(c1)CCO2 ZINC000766122771 857269857 /nfs/dbraw/zinc/26/98/57/857269857.db2.gz OJJYPTOHKNDYIG-VABKMULXSA-N 2 1 380.532 3.545 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C\c2ccccc2OC)CC1 ZINC000520950802 857427567 /nfs/dbraw/zinc/42/75/67/857427567.db2.gz HLHDFUYJHOMHRZ-WQLSENKSSA-N 2 1 379.548 3.636 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)cc1)C(C)C ZINC000675491873 857461706 /nfs/dbraw/zinc/46/17/06/857461706.db2.gz TVZNMXCCVUQEBS-NRFANRHFSA-N 2 1 395.547 3.886 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3([NH+](C)C)CCCC3)cc2)C1 ZINC000061113866 857497737 /nfs/dbraw/zinc/49/77/37/857497737.db2.gz INRXEKQRJZZUOF-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000521163395 857692660 /nfs/dbraw/zinc/69/26/60/857692660.db2.gz NLDVSDYPPRRQFY-IAGOWNOFSA-N 2 1 380.602 3.551 20 0 GHADMP c1ncn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)n1 ZINC000679841399 857718453 /nfs/dbraw/zinc/71/84/53/857718453.db2.gz VVYZBSDHIKEQRU-GOTSBHOMSA-N 2 1 387.531 3.710 20 0 GHADMP Cc1cc(C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)nc(N2CCCC2)n1 ZINC000902386852 857737207 /nfs/dbraw/zinc/73/72/07/857737207.db2.gz GNQYYGOESPQGMH-FQEVSTJZSA-N 2 1 389.494 3.623 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)[C@H]2CCC[C@@H]21 ZINC000671743460 857769103 /nfs/dbraw/zinc/76/91/03/857769103.db2.gz NKKVFGAGRUNXMA-SQNIBIBYSA-N 2 1 378.442 3.854 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168701559 857803935 /nfs/dbraw/zinc/80/39/35/857803935.db2.gz RVDVMZLKNJXJNA-KRWDZBQOSA-N 2 1 395.975 3.634 20 0 GHADMP FC(F)(F)Cn1cc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000574393589 857809278 /nfs/dbraw/zinc/80/92/78/857809278.db2.gz BQOPHWOMBKCMCE-LDLYASANSA-N 2 1 378.442 3.731 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000574393589 857809286 /nfs/dbraw/zinc/80/92/86/857809286.db2.gz BQOPHWOMBKCMCE-LDLYASANSA-N 2 1 378.442 3.731 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000574393589 857809294 /nfs/dbraw/zinc/80/92/94/857809294.db2.gz BQOPHWOMBKCMCE-LDLYASANSA-N 2 1 378.442 3.731 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000065549925 857817390 /nfs/dbraw/zinc/81/73/90/857817390.db2.gz SGNBXHDIYGUYJT-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000486581085 857894640 /nfs/dbraw/zinc/89/46/40/857894640.db2.gz RHQRBKCCXKZCCN-RTBURBONSA-N 2 1 399.501 3.597 20 0 GHADMP CC(C)COc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000521332600 857894902 /nfs/dbraw/zinc/89/49/02/857894902.db2.gz JHFVCZRYJWFSLK-OAQYLSRUSA-N 2 1 387.593 3.861 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594095295 857933152 /nfs/dbraw/zinc/93/31/52/857933152.db2.gz UACJQZPUWCZTDE-REWPJTCUSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442864881 858183623 /nfs/dbraw/zinc/18/36/23/858183623.db2.gz AVEPXEFYLMGGFN-FYYLOGMGSA-N 2 1 384.612 3.928 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442864881 858183628 /nfs/dbraw/zinc/18/36/28/858183628.db2.gz AVEPXEFYLMGGFN-FYYLOGMGSA-N 2 1 384.612 3.928 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1(C)C ZINC000442869566 858187066 /nfs/dbraw/zinc/18/70/66/858187066.db2.gz DPVOLEWPUVUCJG-QFIPXVFZSA-N 2 1 387.518 3.864 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)[C@H](C)C1 ZINC000594495632 858191243 /nfs/dbraw/zinc/19/12/43/858191243.db2.gz RKEUTNSFUKWBAH-VOQZNFBZSA-N 2 1 388.552 3.577 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(CC)ccc23)[C@@H](C)C1 ZINC000187020100 863002692 /nfs/dbraw/zinc/00/26/92/863002692.db2.gz HGMWAFFJJMMHGX-UWJYYQICSA-N 2 1 386.536 3.582 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(CC)ccc23)[C@@H](C)C1 ZINC000187020100 863002708 /nfs/dbraw/zinc/00/27/08/863002708.db2.gz HGMWAFFJJMMHGX-UWJYYQICSA-N 2 1 386.536 3.582 20 0 GHADMP C[C@H](Cc1ccccc1)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574797007 858320746 /nfs/dbraw/zinc/32/07/46/858320746.db2.gz PSVAJEHBNMCZGZ-RCZVLFRGSA-N 2 1 377.576 3.757 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000443070402 858337160 /nfs/dbraw/zinc/33/71/60/858337160.db2.gz ZCCPDNCCDFPKFJ-LLVKDONJSA-N 2 1 397.363 3.724 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595013320 858350469 /nfs/dbraw/zinc/35/04/69/858350469.db2.gz RXZAQXLOQCLFNZ-PXAZEXFGSA-N 2 1 395.288 3.709 20 0 GHADMP CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000521823377 858356517 /nfs/dbraw/zinc/35/65/17/858356517.db2.gz RXECQRWLFJMSRQ-HSZRJFAPSA-N 2 1 395.547 3.931 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCN(C4CCCCC4)C3=O)CC2)C1 ZINC000443096586 858374851 /nfs/dbraw/zinc/37/48/51/858374851.db2.gz RZMPQBORPSDHSW-BVYCBKJFSA-N 2 1 375.601 3.943 20 0 GHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000765973068 858441594 /nfs/dbraw/zinc/44/15/94/858441594.db2.gz BOINLWLPNDQLDV-UTKZUKDTSA-N 2 1 388.556 3.511 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000521913779 858441605 /nfs/dbraw/zinc/44/16/05/858441605.db2.gz IAAALBONXPVZAN-LAUBAEHRSA-N 2 1 385.577 3.694 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000521913779 858441610 /nfs/dbraw/zinc/44/16/10/858441610.db2.gz IAAALBONXPVZAN-LAUBAEHRSA-N 2 1 385.577 3.694 20 0 GHADMP Fc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(Br)c1 ZINC001137544345 863032786 /nfs/dbraw/zinc/03/27/86/863032786.db2.gz ZDUTXYJEAQHELF-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000522078666 858589788 /nfs/dbraw/zinc/58/97/88/858589788.db2.gz NLWOKPUAEXBORY-QGQMOVRQSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000522078666 858589794 /nfs/dbraw/zinc/58/97/94/858589794.db2.gz NLWOKPUAEXBORY-QGQMOVRQSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000522078666 858589798 /nfs/dbraw/zinc/58/97/98/858589798.db2.gz NLWOKPUAEXBORY-QGQMOVRQSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000522160571 858682545 /nfs/dbraw/zinc/68/25/45/858682545.db2.gz GIUMTAVPCXRNKC-HXUWFJFHSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000183672223 858792634 /nfs/dbraw/zinc/79/26/34/858792634.db2.gz BONKXWXVHJZITD-DNVCBOLYSA-N 2 1 385.895 3.925 20 0 GHADMP COc1c(C)c[nH+]c(CN(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000183786657 858819589 /nfs/dbraw/zinc/81/95/89/858819589.db2.gz GIBQXLUGEUPUST-UHFFFAOYSA-N 2 1 396.579 3.869 20 0 GHADMP COc1c(C)cnc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000183786657 858819603 /nfs/dbraw/zinc/81/96/03/858819603.db2.gz GIBQXLUGEUPUST-UHFFFAOYSA-N 2 1 396.579 3.869 20 0 GHADMP COc1c(C)cnc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000183786657 858819617 /nfs/dbraw/zinc/81/96/17/858819617.db2.gz GIBQXLUGEUPUST-UHFFFAOYSA-N 2 1 396.579 3.869 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000028888673 858850694 /nfs/dbraw/zinc/85/06/94/858850694.db2.gz PNCGDZWXCMAKOE-MRXNPFEDSA-N 2 1 386.927 3.838 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000282529859 858877028 /nfs/dbraw/zinc/87/70/28/858877028.db2.gz VJLFUWLTAVBNTA-JOCHJYFZSA-N 2 1 395.547 3.775 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000282529859 858877035 /nfs/dbraw/zinc/87/70/35/858877035.db2.gz VJLFUWLTAVBNTA-JOCHJYFZSA-N 2 1 395.547 3.775 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000482829240 858887737 /nfs/dbraw/zinc/88/77/37/858887737.db2.gz WGGXJEXMMVTWIH-XMSQKQJNSA-N 2 1 398.547 3.755 20 0 GHADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791563 858907271 /nfs/dbraw/zinc/90/72/71/858907271.db2.gz QWUUEWQBWROWPA-CUXKYVRBSA-N 2 1 397.588 3.593 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791563 858907273 /nfs/dbraw/zinc/90/72/73/858907273.db2.gz QWUUEWQBWROWPA-CUXKYVRBSA-N 2 1 397.588 3.593 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791563 858907277 /nfs/dbraw/zinc/90/72/77/858907277.db2.gz QWUUEWQBWROWPA-CUXKYVRBSA-N 2 1 397.588 3.593 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(OC)c(OC)c3C)C2)ccn1 ZINC000856548705 881362851 /nfs/dbraw/zinc/36/28/51/881362851.db2.gz MHGIEZOGMHFNSF-NRFANRHFSA-N 2 1 399.535 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(OC)c(OC)c3C)C2)ccn1 ZINC000856548705 881362871 /nfs/dbraw/zinc/36/28/71/881362871.db2.gz MHGIEZOGMHFNSF-NRFANRHFSA-N 2 1 399.535 3.512 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(OC)c(OC)c3C)C2)ccn1 ZINC000856548705 881362885 /nfs/dbraw/zinc/36/28/85/881362885.db2.gz MHGIEZOGMHFNSF-NRFANRHFSA-N 2 1 399.535 3.512 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023052 859065639 /nfs/dbraw/zinc/06/56/39/859065639.db2.gz UTVMBBYQRFEMQU-OPVJXMOQSA-N 2 1 382.504 3.825 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185663888 859114882 /nfs/dbraw/zinc/11/48/82/859114882.db2.gz VQEBDZHOTCLOQK-IEBWSBKVSA-N 2 1 389.609 3.610 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185663888 859114888 /nfs/dbraw/zinc/11/48/88/859114888.db2.gz VQEBDZHOTCLOQK-IEBWSBKVSA-N 2 1 389.609 3.610 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185711012 859118646 /nfs/dbraw/zinc/11/86/46/859118646.db2.gz XZEOTVCLGFULQM-FPOVZHCZSA-N 2 1 383.580 3.729 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185711012 859118652 /nfs/dbraw/zinc/11/86/52/859118652.db2.gz XZEOTVCLGFULQM-FPOVZHCZSA-N 2 1 383.580 3.729 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734043 859122502 /nfs/dbraw/zinc/12/25/02/859122502.db2.gz HKTDAZUJJIGWAB-ULQDDVLXSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734043 859122510 /nfs/dbraw/zinc/12/25/10/859122510.db2.gz HKTDAZUJJIGWAB-ULQDDVLXSA-N 2 1 375.582 3.978 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185769033 859127125 /nfs/dbraw/zinc/12/71/25/859127125.db2.gz PKFDDLXYMQSQLS-BXTJHSDWSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185769033 859127131 /nfs/dbraw/zinc/12/71/31/859127131.db2.gz PKFDDLXYMQSQLS-BXTJHSDWSA-N 2 1 393.934 3.827 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccccc3OC(F)F)C2)ccn1 ZINC000856554345 881389005 /nfs/dbraw/zinc/38/90/05/881389005.db2.gz IBXXTZPSJLKHCZ-IBGZPJMESA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3OC(F)F)C2)ccn1 ZINC000856554345 881389045 /nfs/dbraw/zinc/38/90/45/881389045.db2.gz IBXXTZPSJLKHCZ-IBGZPJMESA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3OC(F)F)C2)ccn1 ZINC000856554345 881389081 /nfs/dbraw/zinc/38/90/81/881389081.db2.gz IBXXTZPSJLKHCZ-IBGZPJMESA-N 2 1 391.462 3.788 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000191483720 859178626 /nfs/dbraw/zinc/17/86/26/859178626.db2.gz IKLGXGICJGLFJU-MRXNPFEDSA-N 2 1 376.932 3.688 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000191483720 859178634 /nfs/dbraw/zinc/17/86/34/859178634.db2.gz IKLGXGICJGLFJU-MRXNPFEDSA-N 2 1 376.932 3.688 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c2)C[C@@H](C)O1 ZINC000483168789 859202714 /nfs/dbraw/zinc/20/27/14/859202714.db2.gz OEUDGNAJKVXEBW-SBHAEUEKSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c2)C[C@@H](C)O1 ZINC000483168789 859202726 /nfs/dbraw/zinc/20/27/26/859202726.db2.gz OEUDGNAJKVXEBW-SBHAEUEKSA-N 2 1 399.579 3.889 20 0 GHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000483195571 859205631 /nfs/dbraw/zinc/20/56/31/859205631.db2.gz BUAXMNLWPAMPRP-UHFFFAOYSA-N 2 1 399.498 3.727 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(OC(F)F)cc3)C2)ccn1 ZINC000856554516 881396902 /nfs/dbraw/zinc/39/69/02/881396902.db2.gz JQNVTJSQSXCDKD-HXUWFJFHSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(OC(F)F)cc3)C2)ccn1 ZINC000856554516 881396945 /nfs/dbraw/zinc/39/69/45/881396945.db2.gz JQNVTJSQSXCDKD-HXUWFJFHSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)ccn1 ZINC000856554516 881396973 /nfs/dbraw/zinc/39/69/73/881396973.db2.gz JQNVTJSQSXCDKD-HXUWFJFHSA-N 2 1 391.462 3.788 20 0 GHADMP O[C@H](C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923335418 859232657 /nfs/dbraw/zinc/23/26/57/859232657.db2.gz MUEUDVOXJQDDHS-FXAWDEMLSA-N 2 1 377.891 3.552 20 0 GHADMP O[C@H](C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923335418 859232664 /nfs/dbraw/zinc/23/26/64/859232664.db2.gz MUEUDVOXJQDDHS-FXAWDEMLSA-N 2 1 377.891 3.552 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1)C(C)C ZINC000483374441 859322229 /nfs/dbraw/zinc/32/22/29/859322229.db2.gz AHUUMXIICYSMIH-NHCUHLMSSA-N 2 1 389.609 3.569 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000483412204 859347308 /nfs/dbraw/zinc/34/73/08/859347308.db2.gz SFUHFRDDFWNHBH-SFTDATJTSA-N 2 1 389.609 3.570 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485114 859407872 /nfs/dbraw/zinc/40/78/72/859407872.db2.gz YZBMBILMQIYESD-GPXNEJASSA-N 2 1 383.580 3.840 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543379245 859472372 /nfs/dbraw/zinc/47/23/72/859472372.db2.gz HKZNKMFOSOMODM-NHCUHLMSSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000483735924 859575014 /nfs/dbraw/zinc/57/50/14/859575014.db2.gz YXHKACWOMRZXOZ-YKSBVNFPSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735924 859575020 /nfs/dbraw/zinc/57/50/20/859575020.db2.gz YXHKACWOMRZXOZ-YKSBVNFPSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000483735924 859575029 /nfs/dbraw/zinc/57/50/29/859575029.db2.gz YXHKACWOMRZXOZ-YKSBVNFPSA-N 2 1 377.576 3.586 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1O ZINC000856559464 881438593 /nfs/dbraw/zinc/43/85/93/881438593.db2.gz PAJRVTBJTNDJAK-NRFANRHFSA-N 2 1 399.535 3.679 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1O ZINC000856559464 881438602 /nfs/dbraw/zinc/43/86/02/881438602.db2.gz PAJRVTBJTNDJAK-NRFANRHFSA-N 2 1 399.535 3.679 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1O ZINC000856559464 881438607 /nfs/dbraw/zinc/43/86/07/881438607.db2.gz PAJRVTBJTNDJAK-NRFANRHFSA-N 2 1 399.535 3.679 20 0 GHADMP C[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764742925 859587666 /nfs/dbraw/zinc/58/76/66/859587666.db2.gz CJMMXCIIKBWBKQ-OAHLLOKOSA-N 2 1 388.524 3.988 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764742925 859587673 /nfs/dbraw/zinc/58/76/73/859587673.db2.gz CJMMXCIIKBWBKQ-OAHLLOKOSA-N 2 1 388.524 3.988 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764742925 859587681 /nfs/dbraw/zinc/58/76/81/859587681.db2.gz CJMMXCIIKBWBKQ-OAHLLOKOSA-N 2 1 388.524 3.988 20 0 GHADMP CC1(C)CN([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccc(Cl)cc2)CCO1 ZINC000166484852 859620408 /nfs/dbraw/zinc/62/04/08/859620408.db2.gz DDEHFEZIJHVOAO-NJDAHSKKSA-N 2 1 391.987 3.708 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000895605328 859728241 /nfs/dbraw/zinc/72/82/41/859728241.db2.gz QNNRHVYBNCAEQD-REWPJTCUSA-N 2 1 390.531 3.674 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000895605328 859728247 /nfs/dbraw/zinc/72/82/47/859728247.db2.gz QNNRHVYBNCAEQD-REWPJTCUSA-N 2 1 390.531 3.674 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114642551 859792320 /nfs/dbraw/zinc/79/23/20/859792320.db2.gz OVDGHNAOXXVTSU-IBGZPJMESA-N 2 1 391.515 3.889 20 0 GHADMP CCN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474304661 859811862 /nfs/dbraw/zinc/81/18/62/859811862.db2.gz MWYWDLGIGXWHOG-YADARESESA-N 2 1 391.559 3.672 20 0 GHADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)CCO1 ZINC000856561775 881466951 /nfs/dbraw/zinc/46/69/51/881466951.db2.gz YVQLWBBOLADGOX-DWLFOUALSA-N 2 1 375.557 3.580 20 0 GHADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)CCO1 ZINC000856561775 881467095 /nfs/dbraw/zinc/46/70/95/881467095.db2.gz YVQLWBBOLADGOX-DWLFOUALSA-N 2 1 375.557 3.580 20 0 GHADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)CCO1 ZINC000856561775 881467434 /nfs/dbraw/zinc/46/74/34/881467434.db2.gz YVQLWBBOLADGOX-DWLFOUALSA-N 2 1 375.557 3.580 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CCOC4CCCCCC4)CC3)C2)cc1 ZINC000512468412 859868784 /nfs/dbraw/zinc/86/87/84/859868784.db2.gz JUYMIXLWLGONKI-QHCPKHFHSA-N 2 1 385.596 3.618 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCOC4CCCCCC4)CC3)C2)cc1 ZINC000512468412 859868792 /nfs/dbraw/zinc/86/87/92/859868792.db2.gz JUYMIXLWLGONKI-QHCPKHFHSA-N 2 1 385.596 3.618 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000856562118 881472064 /nfs/dbraw/zinc/47/20/64/881472064.db2.gz YFGNEVVBSVYPSE-IBGZPJMESA-N 2 1 386.565 3.909 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000856562118 881472067 /nfs/dbraw/zinc/47/20/67/881472067.db2.gz YFGNEVVBSVYPSE-IBGZPJMESA-N 2 1 386.565 3.909 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000856562118 881472072 /nfs/dbraw/zinc/47/20/72/881472072.db2.gz YFGNEVVBSVYPSE-IBGZPJMESA-N 2 1 386.565 3.909 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccco1 ZINC000522430514 859882683 /nfs/dbraw/zinc/88/26/83/859882683.db2.gz BLARNECDUMXKEV-HMXCVIKNSA-N 2 1 398.551 3.797 20 0 GHADMP O=C([C@H]1CCCN1Cc1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000474348229 859894219 /nfs/dbraw/zinc/89/42/19/859894219.db2.gz UPCLPONKQZWVRO-HSZRJFAPSA-N 2 1 395.522 3.525 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000474348229 859894231 /nfs/dbraw/zinc/89/42/31/859894231.db2.gz UPCLPONKQZWVRO-HSZRJFAPSA-N 2 1 395.522 3.525 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000474348229 859894242 /nfs/dbraw/zinc/89/42/42/859894242.db2.gz UPCLPONKQZWVRO-HSZRJFAPSA-N 2 1 395.522 3.525 20 0 GHADMP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000474348229 859894254 /nfs/dbraw/zinc/89/42/54/859894254.db2.gz UPCLPONKQZWVRO-HSZRJFAPSA-N 2 1 395.522 3.525 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)CC1 ZINC000484225556 859894940 /nfs/dbraw/zinc/89/49/40/859894940.db2.gz YHRJWYJCCLTYAV-HNTVYWHESA-N 2 1 398.595 3.726 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727075673 859915831 /nfs/dbraw/zinc/91/58/31/859915831.db2.gz KFHCAENNMUIIOE-GOSISDBHSA-N 2 1 390.641 3.613 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(N2CCOCC2)c1 ZINC000484302236 859923026 /nfs/dbraw/zinc/92/30/26/859923026.db2.gz PLZLMJUWDKBZON-QPPBQGQZSA-N 2 1 393.575 3.832 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000484287667 859924698 /nfs/dbraw/zinc/92/46/98/859924698.db2.gz CEAIRDSQPHEXBL-VDZJLULYSA-N 2 1 384.561 3.780 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000598032519 860012431 /nfs/dbraw/zinc/01/24/31/860012431.db2.gz IXTFZHRXSHXYID-XXBNENTESA-N 2 1 377.532 3.814 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000484510467 860060994 /nfs/dbraw/zinc/06/09/94/860060994.db2.gz XVIFTXVTNHWSQL-BAGYTPMASA-N 2 1 379.548 3.774 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000484510467 860061003 /nfs/dbraw/zinc/06/10/03/860061003.db2.gz XVIFTXVTNHWSQL-BAGYTPMASA-N 2 1 379.548 3.774 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(I)cc2)CC1 ZINC000474468175 860149901 /nfs/dbraw/zinc/14/99/01/860149901.db2.gz JRVSSOKOBJCELC-AWEZNQCLSA-N 2 1 386.321 3.686 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(I)cc2)C1 ZINC000474485453 860202551 /nfs/dbraw/zinc/20/25/51/860202551.db2.gz DVIURQSCNZXYBK-GOEBONIOSA-N 2 1 386.321 3.544 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1 ZINC000536050292 860269185 /nfs/dbraw/zinc/26/91/85/860269185.db2.gz MVIZJJLWEDXHOO-QETWGEEDSA-N 2 1 384.568 3.515 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1 ZINC000536050292 860269193 /nfs/dbraw/zinc/26/91/93/860269193.db2.gz MVIZJJLWEDXHOO-QETWGEEDSA-N 2 1 384.568 3.515 20 0 GHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000522448248 860309148 /nfs/dbraw/zinc/30/91/48/860309148.db2.gz VOSXHEWFGOBLLV-JOCHJYFZSA-N 2 1 386.584 3.546 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000765608116 860323579 /nfs/dbraw/zinc/32/35/79/860323579.db2.gz USOHQSAHGMDYMF-PXNSSMCTSA-N 2 1 375.557 3.574 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474542214 860326293 /nfs/dbraw/zinc/32/62/93/860326293.db2.gz AVPRQHYFDXQKCH-GHTZIAJQSA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474542214 860326303 /nfs/dbraw/zinc/32/63/03/860326303.db2.gz AVPRQHYFDXQKCH-GHTZIAJQSA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C(C)C)C3CCCCC3)cc2)CC1 ZINC000728053299 860370110 /nfs/dbraw/zinc/37/01/10/860370110.db2.gz RNSGSBRYRDZGHC-UHFFFAOYSA-N 2 1 386.584 3.810 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c1cccc2C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168369259 860370786 /nfs/dbraw/zinc/37/07/86/860370786.db2.gz ZYGDNFKXKCHGPM-UHFFFAOYSA-N 2 1 385.552 3.948 20 0 GHADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475354 860467607 /nfs/dbraw/zinc/46/76/07/860467607.db2.gz OBSDTRAXPVBUSV-NFBKMPQASA-N 2 1 375.472 3.589 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1OC ZINC000904476586 860468447 /nfs/dbraw/zinc/46/84/47/860468447.db2.gz UMOXSJPBIKHCHC-IERDGZPVSA-N 2 1 388.895 3.703 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Cl)c1OC ZINC000904476587 860468668 /nfs/dbraw/zinc/46/86/68/860468668.db2.gz UMOXSJPBIKHCHC-IIBYNOLFSA-N 2 1 388.895 3.703 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000904626313 860535783 /nfs/dbraw/zinc/53/57/83/860535783.db2.gz KDNZJPWBRCFHEJ-FQEVSTJZSA-N 2 1 378.520 3.569 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)CC[N@H+]2CCc3ccccc3C2)c1 ZINC000474726437 860696790 /nfs/dbraw/zinc/69/67/90/860696790.db2.gz HFLVWWYZLPKZKQ-UHFFFAOYSA-N 2 1 379.548 3.593 20 0 GHADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000489825066 860763843 /nfs/dbraw/zinc/76/38/43/860763843.db2.gz LUCXBMKEGIWVTD-GGAORHGYSA-N 2 1 383.511 3.577 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000489825066 860763848 /nfs/dbraw/zinc/76/38/48/860763848.db2.gz LUCXBMKEGIWVTD-GGAORHGYSA-N 2 1 383.511 3.577 20 0 GHADMP CO[C@H](C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606114 881581172 /nfs/dbraw/zinc/58/11/72/881581172.db2.gz IKEFLOYOWDDRPK-DHIUTWEWSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606114 881581182 /nfs/dbraw/zinc/58/11/82/881581182.db2.gz IKEFLOYOWDDRPK-DHIUTWEWSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606114 881581192 /nfs/dbraw/zinc/58/11/92/881581192.db2.gz IKEFLOYOWDDRPK-DHIUTWEWSA-N 2 1 389.584 3.970 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192683069 860906421 /nfs/dbraw/zinc/90/64/21/860906421.db2.gz OPUSXTGCBCRWCX-XMMPIXPASA-N 2 1 378.564 3.861 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623374927 860962996 /nfs/dbraw/zinc/96/29/96/860962996.db2.gz WCKCOSOFQFJWIL-RDJZCZTQSA-N 2 1 380.374 3.738 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)CC1(C)C ZINC000623474222 861101870 /nfs/dbraw/zinc/10/18/70/861101870.db2.gz VMHBYYRJBYOBRB-ZDUSSCGKSA-N 2 1 379.854 3.985 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000600142498 861115721 /nfs/dbraw/zinc/11/57/21/861115721.db2.gz OXPWFLYGYGJVPW-ICSRJNTNSA-N 2 1 381.520 3.649 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000429103031 861185489 /nfs/dbraw/zinc/18/54/89/861185489.db2.gz MJSKSWFWGUKOEP-XMSQKQJNSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000733848706 863201644 /nfs/dbraw/zinc/20/16/44/863201644.db2.gz QJXOZFVLXNKSNX-SFTDATJTSA-N 2 1 380.621 3.795 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000482570174 863329075 /nfs/dbraw/zinc/32/90/75/863329075.db2.gz TYNSIPZRXGTMGE-WBVHZDCISA-N 2 1 389.540 3.792 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000182905197 863399547 /nfs/dbraw/zinc/39/95/47/863399547.db2.gz XKCTXJKRUSZXBP-NZQKXSOJSA-N 2 1 395.522 3.690 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)Cc2ccccc2)cc1 ZINC000183138078 863483414 /nfs/dbraw/zinc/48/34/14/863483414.db2.gz QNLLJQMIKKVHOH-MSOLQXFVSA-N 2 1 376.504 3.878 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1cc(F)cc(F)c1 ZINC000444156275 863558376 /nfs/dbraw/zinc/55/83/76/863558376.db2.gz LJNSKWZZPDSZHK-KRWDZBQOSA-N 2 1 379.495 3.881 20 0 GHADMP CC(C)[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[NH+]1CCCCC1 ZINC000606376312 863570698 /nfs/dbraw/zinc/57/06/98/863570698.db2.gz OHEHUQVLLVDBEP-WOIUINJBSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000606661433 863752117 /nfs/dbraw/zinc/75/21/17/863752117.db2.gz ROGLQTSFKDHPSV-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177715101 863889145 /nfs/dbraw/zinc/88/91/45/863889145.db2.gz VEZSGKICXATMSU-HXUWFJFHSA-N 2 1 383.502 3.740 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[NH+]4C)sc2c1)C1CC1 ZINC000667607193 863893400 /nfs/dbraw/zinc/89/34/00/863893400.db2.gz ZGEFWZALIUGBCH-ZXFUBFMLSA-N 2 1 399.564 3.637 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)sc2c1)C1CC1 ZINC000667607193 863893407 /nfs/dbraw/zinc/89/34/07/863893407.db2.gz ZGEFWZALIUGBCH-ZXFUBFMLSA-N 2 1 399.564 3.637 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)sc2c1)C1CC1 ZINC000667607193 863893414 /nfs/dbraw/zinc/89/34/14/863893414.db2.gz ZGEFWZALIUGBCH-ZXFUBFMLSA-N 2 1 399.564 3.637 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733992317 863906392 /nfs/dbraw/zinc/90/63/92/863906392.db2.gz SEGVFYQZSFEOTQ-IBGZPJMESA-N 2 1 397.485 3.662 20 0 GHADMP CN(Cc1cccs1)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103228076 863914178 /nfs/dbraw/zinc/91/41/78/863914178.db2.gz UDXQSHTUUPQDRB-UHFFFAOYSA-N 2 1 385.577 3.551 20 0 GHADMP C[NH+](C)C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC000499250367 881711066 /nfs/dbraw/zinc/71/10/66/881711066.db2.gz BWRQZNKXBVKMKY-QEIWAGNOSA-N 2 1 389.587 3.871 20 0 GHADMP CN(C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC000499250367 881711073 /nfs/dbraw/zinc/71/10/73/881711073.db2.gz BWRQZNKXBVKMKY-QEIWAGNOSA-N 2 1 389.587 3.871 20 0 GHADMP CN(C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC000499250367 881711082 /nfs/dbraw/zinc/71/10/82/881711082.db2.gz BWRQZNKXBVKMKY-QEIWAGNOSA-N 2 1 389.587 3.871 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001168054834 863986698 /nfs/dbraw/zinc/98/66/98/863986698.db2.gz BSNRNBOMSUKUKU-DNVFCKCGSA-N 2 1 395.547 3.985 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000159190824 864059137 /nfs/dbraw/zinc/05/91/37/864059137.db2.gz IFJHJUHXBQPBGF-GOSISDBHSA-N 2 1 397.357 3.753 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(c5ccccn5)CC4)C[C@@H]3C2)cc1 ZINC000898522936 864090199 /nfs/dbraw/zinc/09/01/99/864090199.db2.gz VZXKFKZXGIXPFJ-ZDXQCDESSA-N 2 1 390.575 3.941 20 0 GHADMP COc1cc(CC[NH2+]C2CC[NH+](C)CC2)cc(OC)c1OCc1ccccc1 ZINC000621385780 864114204 /nfs/dbraw/zinc/11/42/04/864114204.db2.gz UKNRFKJKLKYJOY-UHFFFAOYSA-N 2 1 384.520 3.509 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000856765714 881730589 /nfs/dbraw/zinc/73/05/89/881730589.db2.gz LBVFSMOXSQXBFI-XMMPIXPASA-N 2 1 391.559 3.844 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)c2)C1 ZINC000856765714 881730595 /nfs/dbraw/zinc/73/05/95/881730595.db2.gz LBVFSMOXSQXBFI-XMMPIXPASA-N 2 1 391.559 3.844 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)c2)C1 ZINC000856765714 881730600 /nfs/dbraw/zinc/73/06/00/881730600.db2.gz LBVFSMOXSQXBFI-XMMPIXPASA-N 2 1 391.559 3.844 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)[C@@H]1Oc1ccccc1 ZINC000480205544 864258659 /nfs/dbraw/zinc/25/86/59/864258659.db2.gz WHVJQKSNXBOZCV-XJUOHMSHSA-N 2 1 381.520 3.573 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F)c1ccccc1 ZINC000475126698 864265695 /nfs/dbraw/zinc/26/56/95/864265695.db2.gz GJXZILQHQUDKRT-SFHVURJKSA-N 2 1 391.918 3.723 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000475126709 864265869 /nfs/dbraw/zinc/26/58/69/864265869.db2.gz GMRWSYLTBXKIME-UHFFFAOYSA-N 2 1 389.341 3.899 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000475126709 864265882 /nfs/dbraw/zinc/26/58/82/864265882.db2.gz GMRWSYLTBXKIME-UHFFFAOYSA-N 2 1 389.341 3.899 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621659155 864336961 /nfs/dbraw/zinc/33/69/61/864336961.db2.gz ASYXMBJUWFRREQ-DCPHZVHLSA-N 2 1 381.923 3.510 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000621659155 864336979 /nfs/dbraw/zinc/33/69/79/864336979.db2.gz ASYXMBJUWFRREQ-DCPHZVHLSA-N 2 1 381.923 3.510 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000621660222 864337417 /nfs/dbraw/zinc/33/74/17/864337417.db2.gz CMUPQONTSYVBAN-OAHLLOKOSA-N 2 1 398.378 3.854 20 0 GHADMP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000621641323 864345432 /nfs/dbraw/zinc/34/54/32/864345432.db2.gz HAVASMUQNAMNCX-OAQYLSRUSA-N 2 1 391.559 3.700 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C(C)C)cc1Cl ZINC000480401042 864608679 /nfs/dbraw/zinc/60/86/79/864608679.db2.gz JHILUHOAHHMNKX-UEXGIBASSA-N 2 1 394.987 3.928 20 0 GHADMP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475273994 864676693 /nfs/dbraw/zinc/67/66/93/864676693.db2.gz GWVIEFUYMLWAFB-ICSRJNTNSA-N 2 1 381.520 3.524 20 0 GHADMP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475273996 864677175 /nfs/dbraw/zinc/67/71/75/864677175.db2.gz GWVIEFUYMLWAFB-UYAOXDASSA-N 2 1 381.520 3.524 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(OC)c1OCc1ccccc1 ZINC000030907298 864806708 /nfs/dbraw/zinc/80/67/08/864806708.db2.gz HHLMHQPYBPBWKV-IBGZPJMESA-N 2 1 396.531 3.857 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475342499 864818297 /nfs/dbraw/zinc/81/82/97/864818297.db2.gz KHQCDEZDCWSDSC-HSZSURFESA-N 2 1 395.513 3.902 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000532330574 881809721 /nfs/dbraw/zinc/80/97/21/881809721.db2.gz BMWDAXIYFXWTPX-UHFFFAOYSA-N 2 1 397.611 3.533 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532334325 881815257 /nfs/dbraw/zinc/81/52/57/881815257.db2.gz MFWNPAUJWJYYLA-ZMYBRWDISA-N 2 1 397.485 3.687 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532334325 881815275 /nfs/dbraw/zinc/81/52/75/881815275.db2.gz MFWNPAUJWJYYLA-ZMYBRWDISA-N 2 1 397.485 3.687 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178414714 864915803 /nfs/dbraw/zinc/91/58/03/864915803.db2.gz XKJIQGDBENMDSE-NRFANRHFSA-N 2 1 385.552 3.900 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000655711312 864926867 /nfs/dbraw/zinc/92/68/67/864926867.db2.gz HCSIZSWECIMEFV-UHFFFAOYSA-N 2 1 388.313 3.628 20 0 GHADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000480603429 864958480 /nfs/dbraw/zinc/95/84/80/864958480.db2.gz FDLFLGTWZYFCRD-FQEVSTJZSA-N 2 1 379.548 3.850 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000608166124 865038055 /nfs/dbraw/zinc/03/80/55/865038055.db2.gz WXOFUUDNZPIVSH-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000608168027 865042158 /nfs/dbraw/zinc/04/21/58/865042158.db2.gz WVGKKMANEYSHPK-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000608168027 865042167 /nfs/dbraw/zinc/04/21/67/865042167.db2.gz WVGKKMANEYSHPK-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000608168027 865042177 /nfs/dbraw/zinc/04/21/77/865042177.db2.gz WVGKKMANEYSHPK-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000171242250 865188860 /nfs/dbraw/zinc/18/88/60/865188860.db2.gz AQCRWDBKEDYEFL-LJQANCHMSA-N 2 1 397.567 3.559 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171386160 865235458 /nfs/dbraw/zinc/23/54/58/865235458.db2.gz CBTQTDUWRMULTO-GOSISDBHSA-N 2 1 383.536 3.760 20 0 GHADMP Cc1nc2c(s1)[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)CCC2 ZINC000480783259 865264651 /nfs/dbraw/zinc/26/46/51/865264651.db2.gz ZHMZNJWGUFVRLU-PZJWPPBQSA-N 2 1 384.593 3.797 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000920180243 881858877 /nfs/dbraw/zinc/85/88/77/881858877.db2.gz RENLEYJHDNYUMX-WOJBJXKFSA-N 2 1 396.579 3.529 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000667788802 865568178 /nfs/dbraw/zinc/56/81/78/865568178.db2.gz CNVCTTRKEZWXHG-AKIFATBCSA-N 2 1 392.547 3.828 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000843805372 865674967 /nfs/dbraw/zinc/67/49/67/865674967.db2.gz PZJLUHZJRJXLJL-GOSISDBHSA-N 2 1 397.567 3.813 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000555214428 865730720 /nfs/dbraw/zinc/73/07/20/865730720.db2.gz PYWLBWJVEJIGNJ-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]cc2C(N)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302215449 865770326 /nfs/dbraw/zinc/77/03/26/865770326.db2.gz IYILYUHLORMSRO-RDTXWAMCSA-N 2 1 392.425 3.694 20 0 GHADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]cc2C(N)=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000302215449 865770327 /nfs/dbraw/zinc/77/03/27/865770327.db2.gz IYILYUHLORMSRO-RDTXWAMCSA-N 2 1 392.425 3.694 20 0 GHADMP C[C@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@H+](C2CCC2)C1 ZINC000667824693 865850087 /nfs/dbraw/zinc/85/00/87/865850087.db2.gz GSOPFYUZUSBEIL-CYBMUJFWSA-N 2 1 384.446 3.502 20 0 GHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481164959 865904199 /nfs/dbraw/zinc/90/41/99/865904199.db2.gz ILPPJQRJMCSHFB-AUSIDOKSSA-N 2 1 397.538 3.674 20 0 GHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481164959 865904213 /nfs/dbraw/zinc/90/42/13/865904213.db2.gz ILPPJQRJMCSHFB-AUSIDOKSSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000481177060 865929103 /nfs/dbraw/zinc/92/91/03/865929103.db2.gz YNKAMCDBFHNPFJ-VPHKFGTKSA-N 2 1 391.559 3.754 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000481177060 865929109 /nfs/dbraw/zinc/92/91/09/865929109.db2.gz YNKAMCDBFHNPFJ-VPHKFGTKSA-N 2 1 391.559 3.754 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)c2)cc1 ZINC000175013352 865964775 /nfs/dbraw/zinc/96/47/75/865964775.db2.gz MMKYLLDFTIKMSO-FPOVZHCZSA-N 2 1 381.520 3.910 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000555380594 866035498 /nfs/dbraw/zinc/03/54/98/866035498.db2.gz YMQJFKIZYLIGBW-QTJGBDASSA-N 2 1 382.523 3.716 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000555380594 866035517 /nfs/dbraw/zinc/03/55/17/866035517.db2.gz YMQJFKIZYLIGBW-QTJGBDASSA-N 2 1 382.523 3.716 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000555380594 866035535 /nfs/dbraw/zinc/03/55/35/866035535.db2.gz YMQJFKIZYLIGBW-QTJGBDASSA-N 2 1 382.523 3.716 20 0 GHADMP C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103548 866212590 /nfs/dbraw/zinc/21/25/90/866212590.db2.gz ZPZUYMXNZITIAK-PKOBYXMFSA-N 2 1 379.589 3.876 20 0 GHADMP c1cn(-c2ncccc2C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183128340 866245655 /nfs/dbraw/zinc/24/56/55/866245655.db2.gz JVZAIKOKHKIAGY-ZRBLBEILSA-N 2 1 387.531 3.658 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223611 866333582 /nfs/dbraw/zinc/33/35/82/866333582.db2.gz OGASAYOGFPWZEI-QFBILLFUSA-N 2 1 398.954 3.501 20 0 GHADMP CC[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223611 866333591 /nfs/dbraw/zinc/33/35/91/866333591.db2.gz OGASAYOGFPWZEI-QFBILLFUSA-N 2 1 398.954 3.501 20 0 GHADMP CC[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223611 866333608 /nfs/dbraw/zinc/33/36/08/866333608.db2.gz OGASAYOGFPWZEI-QFBILLFUSA-N 2 1 398.954 3.501 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152479322 866565655 /nfs/dbraw/zinc/56/56/55/866565655.db2.gz LGHHRPVAQKBCJY-IRXDYDNUSA-N 2 1 376.566 3.538 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000552997812 866599107 /nfs/dbraw/zinc/59/91/07/866599107.db2.gz BWRNLVBSUZTRHN-HXUWFJFHSA-N 2 1 393.575 3.953 20 0 GHADMP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000478798805 866655274 /nfs/dbraw/zinc/65/52/74/866655274.db2.gz NHCMICXQLAEBDR-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000741788441 866789168 /nfs/dbraw/zinc/78/91/68/866789168.db2.gz UNEXGNNXZSPGDR-WOJBJXKFSA-N 2 1 379.589 3.831 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000153684431 867024305 /nfs/dbraw/zinc/02/43/05/867024305.db2.gz ABTMCYLMLSXADR-XUZZJYLKSA-N 3 1 392.591 3.581 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000153904265 867147248 /nfs/dbraw/zinc/14/72/48/867147248.db2.gz JHBBNOSVDDLGMT-RTBURBONSA-N 2 1 379.976 3.599 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456794765 867159176 /nfs/dbraw/zinc/15/91/76/867159176.db2.gz SFOKCNSNMWIACX-GASCZTMLSA-N 2 1 379.932 3.624 20 0 GHADMP O=C(C[N@@H+]1CCCC12CCC2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444774033 867214843 /nfs/dbraw/zinc/21/48/43/867214843.db2.gz HFWCAGORXHAYLM-LJQANCHMSA-N 2 1 375.944 3.612 20 0 GHADMP O=C(C[N@H+]1CCCC12CCC2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444774033 867214851 /nfs/dbraw/zinc/21/48/51/867214851.db2.gz HFWCAGORXHAYLM-LJQANCHMSA-N 2 1 375.944 3.612 20 0 GHADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1C(F)(F)F ZINC000479272624 867496367 /nfs/dbraw/zinc/49/63/67/867496367.db2.gz DHDZSWKNDFHRTK-YPMHNXCESA-N 2 1 395.263 3.575 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000479354023 867598980 /nfs/dbraw/zinc/59/89/80/867598980.db2.gz ZWYXQCWHJHMYEU-PKTZIBPZSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000523670714 867721774 /nfs/dbraw/zinc/72/17/74/867721774.db2.gz RMGCRTLLHZBJRB-LBPRGKRZSA-N 2 1 391.865 3.959 20 0 GHADMP COc1ccc(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000155198305 867799886 /nfs/dbraw/zinc/79/98/86/867799886.db2.gz ORETUNBZLHIWCE-UHFFFAOYSA-N 2 1 382.548 3.933 20 0 GHADMP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534962952 867876425 /nfs/dbraw/zinc/87/64/25/867876425.db2.gz NCXIJEOEUOTYBA-IBGZPJMESA-N 2 1 397.588 3.741 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000553804825 868255585 /nfs/dbraw/zinc/25/55/85/868255585.db2.gz OSQBMFIMVBTCBN-VIZSFHNOSA-N 2 1 398.595 3.829 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000156897407 868495084 /nfs/dbraw/zinc/49/50/84/868495084.db2.gz RVUAQCJZBCDNND-GMAHTHKFSA-N 2 1 395.547 3.633 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000156937351 868507135 /nfs/dbraw/zinc/50/71/35/868507135.db2.gz VSPNSWCSFBDMOW-KNQAVFIVSA-N 2 1 379.548 3.852 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000666044953 882214394 /nfs/dbraw/zinc/21/43/94/882214394.db2.gz AKFKHXZUXOMHLH-GOSISDBHSA-N 2 1 390.572 3.649 20 0 GHADMP C[N@@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CCCCC1 ZINC000524264172 868811604 /nfs/dbraw/zinc/81/16/04/868811604.db2.gz DUCMBJODLODZNG-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCCC1 ZINC000524264172 868811623 /nfs/dbraw/zinc/81/16/23/868811623.db2.gz DUCMBJODLODZNG-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC000524264172 868811640 /nfs/dbraw/zinc/81/16/40/868811640.db2.gz DUCMBJODLODZNG-BRTIRZTQSA-N 2 1 398.595 3.746 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Oc1ccccc1C(F)(F)F ZINC000655731572 882237953 /nfs/dbraw/zinc/23/79/53/882237953.db2.gz SQXUOSJBSIYLHT-SJORKVTESA-N 2 1 386.458 3.706 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000121734154 882242371 /nfs/dbraw/zinc/24/23/71/882242371.db2.gz UNWKSNNNTGVQND-ZWKOTPCHSA-N 2 1 383.540 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000121734301 882242540 /nfs/dbraw/zinc/24/25/40/882242540.db2.gz UNWKSNNNTGVQND-ROUUACIJSA-N 2 1 383.540 3.663 20 0 GHADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445812714 869015496 /nfs/dbraw/zinc/01/54/96/869015496.db2.gz ZKHMYQJYCKCUCI-LIRRHRJNSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445812714 869015508 /nfs/dbraw/zinc/01/55/08/869015508.db2.gz ZKHMYQJYCKCUCI-LIRRHRJNSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000445812714 869015521 /nfs/dbraw/zinc/01/55/21/869015521.db2.gz ZKHMYQJYCKCUCI-LIRRHRJNSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000445812714 869015534 /nfs/dbraw/zinc/01/55/34/869015534.db2.gz ZKHMYQJYCKCUCI-LIRRHRJNSA-N 2 1 397.332 3.916 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCc1ccccc1F ZINC000524452984 869104412 /nfs/dbraw/zinc/10/44/12/869104412.db2.gz DQWBIDHPDBETOK-RTBURBONSA-N 2 1 397.538 3.995 20 0 GHADMP CCC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000539522355 869280394 /nfs/dbraw/zinc/28/03/94/869280394.db2.gz KBGUQUWIVZJBCY-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000669832410 869359588 /nfs/dbraw/zinc/35/95/88/869359588.db2.gz HYRZDKQHDSZYCM-QHCPKHFHSA-N 2 1 391.559 3.969 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000669832410 869359594 /nfs/dbraw/zinc/35/95/94/869359594.db2.gz HYRZDKQHDSZYCM-QHCPKHFHSA-N 2 1 391.559 3.969 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCc4cc(F)ccc4C2)CC3)cn1 ZINC001168431610 869532320 /nfs/dbraw/zinc/53/23/20/869532320.db2.gz NLVGGCFDQKHKBF-JOCHJYFZSA-N 2 1 382.527 3.547 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCc4cc(F)ccc4C2)CC3)cn1 ZINC001168431610 869532329 /nfs/dbraw/zinc/53/23/29/869532329.db2.gz NLVGGCFDQKHKBF-JOCHJYFZSA-N 2 1 382.527 3.547 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000539872088 869941258 /nfs/dbraw/zinc/94/12/58/869941258.db2.gz GHNOVVYVZYLKHA-KNQAVFIVSA-N 2 1 386.584 3.907 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000508862684 869954686 /nfs/dbraw/zinc/95/46/86/869954686.db2.gz YDXGLSGDVGZMFY-KRWDZBQOSA-N 2 1 375.538 3.759 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000508862684 869954704 /nfs/dbraw/zinc/95/47/04/869954704.db2.gz YDXGLSGDVGZMFY-KRWDZBQOSA-N 2 1 375.538 3.759 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000539895207 869982808 /nfs/dbraw/zinc/98/28/08/869982808.db2.gz TXMSEHAORXAKST-SFHLNBCPSA-N 2 1 376.541 3.558 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000539895207 869982816 /nfs/dbraw/zinc/98/28/16/869982816.db2.gz TXMSEHAORXAKST-SFHLNBCPSA-N 2 1 376.541 3.558 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(-n2cnnn2)c1 ZINC000669851624 870042665 /nfs/dbraw/zinc/04/26/65/870042665.db2.gz KPKSYILUXPTNNH-AVRDEDQJSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(-n2cnnn2)c1 ZINC000669851624 870042676 /nfs/dbraw/zinc/04/26/76/870042676.db2.gz KPKSYILUXPTNNH-AVRDEDQJSA-N 2 1 390.535 3.614 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](CCc4ccc(F)cc4)CC3)c2)C1 ZINC000462855597 870213250 /nfs/dbraw/zinc/21/32/50/870213250.db2.gz NYGQJFWZFKZEIO-DEOSSOPVSA-N 2 1 397.538 3.511 20 0 GHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000446750270 870295234 /nfs/dbraw/zinc/29/52/34/870295234.db2.gz FSVJQFPZTCRQNV-DEOSSOPVSA-N 2 1 389.547 3.756 20 0 GHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000446750270 870295248 /nfs/dbraw/zinc/29/52/48/870295248.db2.gz FSVJQFPZTCRQNV-DEOSSOPVSA-N 2 1 389.547 3.756 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044320 870296823 /nfs/dbraw/zinc/29/68/23/870296823.db2.gz BDDBRDASBFVQIY-QHCPKHFHSA-N 2 1 397.563 3.677 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000540044260 870297683 /nfs/dbraw/zinc/29/76/83/870297683.db2.gz RWZIEJRHSDHKRH-WOJBJXKFSA-N 2 1 383.580 3.668 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248214852 870316734 /nfs/dbraw/zinc/31/67/34/870316734.db2.gz ZKTRZKGHMLFTRV-DNQXCXABSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248214852 870316747 /nfs/dbraw/zinc/31/67/47/870316747.db2.gz ZKTRZKGHMLFTRV-DNQXCXABSA-N 2 1 391.559 3.875 20 0 GHADMP Clc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc2c1OCCCO2 ZINC000525307782 870323885 /nfs/dbraw/zinc/32/38/85/870323885.db2.gz FWLHADUWDVMTNZ-UHFFFAOYSA-N 2 1 394.943 3.578 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000060238658 882399653 /nfs/dbraw/zinc/39/96/53/882399653.db2.gz SBWJBSIKPFONNF-ZEQRLZLVSA-N 2 1 391.559 3.913 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)CC1 ZINC000248396105 870368199 /nfs/dbraw/zinc/36/81/99/870368199.db2.gz GYZICEZBIZGWGY-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000248396105 870368214 /nfs/dbraw/zinc/36/82/14/870368214.db2.gz GYZICEZBIZGWGY-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000248396105 870368234 /nfs/dbraw/zinc/36/82/34/870368234.db2.gz GYZICEZBIZGWGY-FPOVZHCZSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403652 870379434 /nfs/dbraw/zinc/37/94/34/870379434.db2.gz OWJPOCCFZWJGNQ-YPAWHYETSA-N 2 1 395.547 3.598 20 0 GHADMP Cc1ccc(N(C)[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001192490924 870428862 /nfs/dbraw/zinc/42/88/62/870428862.db2.gz VUDWKGYXBVLOCT-RUZDIDTESA-N 2 1 393.575 3.928 20 0 GHADMP Cc1ccc(N(C)[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001192490924 870428868 /nfs/dbraw/zinc/42/88/68/870428868.db2.gz VUDWKGYXBVLOCT-RUZDIDTESA-N 2 1 393.575 3.928 20 0 GHADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000248452488 870430904 /nfs/dbraw/zinc/43/09/04/870430904.db2.gz PUEYUXYVGYXSFH-CYFREDJKSA-N 2 1 394.563 3.674 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)CC1 ZINC000538725424 870519339 /nfs/dbraw/zinc/51/93/39/870519339.db2.gz VDDBFPJVUVGMJM-DEOSSOPVSA-N 2 1 393.575 3.866 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248601470 870527915 /nfs/dbraw/zinc/52/79/15/870527915.db2.gz VGDZKLMLBUBUDA-JENIJYKNSA-N 2 1 380.960 3.631 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000538750162 870564197 /nfs/dbraw/zinc/56/41/97/870564197.db2.gz IAXDKMOLHKAXPU-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1C(C)(C)C ZINC000248725086 870608626 /nfs/dbraw/zinc/60/86/26/870608626.db2.gz ULKONWKRQNWPHK-XXBNENTESA-N 2 1 397.611 3.976 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000546783702 870616131 /nfs/dbraw/zinc/61/61/31/870616131.db2.gz NZGHWUSJKCPFHJ-IBGZPJMESA-N 2 1 376.907 3.867 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000540158818 870619682 /nfs/dbraw/zinc/61/96/82/870619682.db2.gz ZNAHZHXVUVYMSQ-JBBXEZCESA-N 2 1 385.321 3.617 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cn2ccc(-c3ccsc3)n2)CC1 ZINC000766376033 870683710 /nfs/dbraw/zinc/68/37/10/870683710.db2.gz WYXZEBCBFWNTIN-UHFFFAOYSA-N 2 1 376.570 3.640 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1)CC(C)C ZINC000540199741 870710645 /nfs/dbraw/zinc/71/06/45/870710645.db2.gz TVEBSHWIMUNRFL-UHFFFAOYSA-N 2 1 391.625 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873677 870958948 /nfs/dbraw/zinc/95/89/48/870958948.db2.gz RZJAKBQXKAYLGF-ZYKOEDHHSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873677 870958957 /nfs/dbraw/zinc/95/89/57/870958957.db2.gz RZJAKBQXKAYLGF-ZYKOEDHHSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873677 870958962 /nfs/dbraw/zinc/95/89/62/870958962.db2.gz RZJAKBQXKAYLGF-ZYKOEDHHSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873677 870958974 /nfs/dbraw/zinc/95/89/74/870958974.db2.gz RZJAKBQXKAYLGF-ZYKOEDHHSA-N 2 1 399.579 3.982 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(N4CCCCC4)nc3)CC2)cc1 ZINC000463143971 870970592 /nfs/dbraw/zinc/97/05/92/870970592.db2.gz PJNPTXBNMPMMOE-UHFFFAOYSA-N 2 1 378.564 3.869 20 0 GHADMP CN(CCC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)c1cc[nH+]cc1 ZINC000617865895 870974349 /nfs/dbraw/zinc/97/43/49/870974349.db2.gz VMQHMXRRZRBLHB-UHFFFAOYSA-N 2 1 395.532 3.751 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884896 870976712 /nfs/dbraw/zinc/97/67/12/870976712.db2.gz SRQNMZIXRSKQRD-ZDFPQIBNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884896 870976725 /nfs/dbraw/zinc/97/67/25/870976725.db2.gz SRQNMZIXRSKQRD-ZDFPQIBNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884896 870976730 /nfs/dbraw/zinc/97/67/30/870976730.db2.gz SRQNMZIXRSKQRD-ZDFPQIBNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884896 870976739 /nfs/dbraw/zinc/97/67/39/870976739.db2.gz SRQNMZIXRSKQRD-ZDFPQIBNSA-N 2 1 399.579 3.838 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccc(-n4ccnc4)c3)CC2)cc1 ZINC000463132586 870977778 /nfs/dbraw/zinc/97/77/78/870977778.db2.gz SDOQYRHIADBYDS-UHFFFAOYSA-N 2 1 378.495 3.808 20 0 GHADMP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000463154831 871032773 /nfs/dbraw/zinc/03/27/73/871032773.db2.gz XPZDGDXEOXZZAI-HXUWFJFHSA-N 2 1 383.555 3.943 20 0 GHADMP C[C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000463154831 871032794 /nfs/dbraw/zinc/03/27/94/871032794.db2.gz XPZDGDXEOXZZAI-HXUWFJFHSA-N 2 1 383.555 3.943 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001193355309 871041707 /nfs/dbraw/zinc/04/17/07/871041707.db2.gz QBROKVPWVDDPPP-QZTJIDSGSA-N 2 1 378.561 3.661 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001193355309 871041724 /nfs/dbraw/zinc/04/17/24/871041724.db2.gz QBROKVPWVDDPPP-QZTJIDSGSA-N 2 1 378.561 3.661 20 0 GHADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000463206903 871138027 /nfs/dbraw/zinc/13/80/27/871138027.db2.gz QRTHEVQTYFGMNT-HYBUGGRVSA-N 2 1 377.576 3.728 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C1)C2 ZINC001169134015 871222553 /nfs/dbraw/zinc/22/25/53/871222553.db2.gz PHISCOOOPPYQGP-IVAOSVALSA-N 2 1 375.507 3.849 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463238577 871229495 /nfs/dbraw/zinc/22/94/95/871229495.db2.gz VZPQTRGKQKKXNW-WJXFIBLPSA-N 2 1 382.523 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463238577 871229514 /nfs/dbraw/zinc/22/95/14/871229514.db2.gz VZPQTRGKQKKXNW-WJXFIBLPSA-N 2 1 382.523 3.934 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+](C[C@H]2CCCCO2)C(C)C)cc1)C1CC1 ZINC000540418660 871230313 /nfs/dbraw/zinc/23/03/13/871230313.db2.gz WHLHWNPCTUEDFG-JOCHJYFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC[NH+](CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1)C1CC1 ZINC000540418660 871230327 /nfs/dbraw/zinc/23/03/27/871230327.db2.gz WHLHWNPCTUEDFG-JOCHJYFZSA-N 2 1 387.568 3.889 20 0 GHADMP CC[NH+](CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)C1CC1 ZINC000540418660 871230347 /nfs/dbraw/zinc/23/03/47/871230347.db2.gz WHLHWNPCTUEDFG-JOCHJYFZSA-N 2 1 387.568 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)O2 ZINC001193744082 871260283 /nfs/dbraw/zinc/26/02/83/871260283.db2.gz YDNDDOZOGYNRJO-FYYLOGMGSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)O2 ZINC001193744082 871260296 /nfs/dbraw/zinc/26/02/96/871260296.db2.gz YDNDDOZOGYNRJO-FYYLOGMGSA-N 2 1 380.532 3.889 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC001193873795 871372029 /nfs/dbraw/zinc/37/20/29/871372029.db2.gz ZOCBDDGICZEXDD-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000618352667 871514741 /nfs/dbraw/zinc/51/47/41/871514741.db2.gz TWFOMYZSAHBDCM-DEOSSOPVSA-N 2 1 391.559 3.671 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)CC1 ZINC000667216620 871518710 /nfs/dbraw/zinc/51/87/10/871518710.db2.gz KFWJOKWUBZVZTK-QHCPKHFHSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000667216620 871518721 /nfs/dbraw/zinc/51/87/21/871518721.db2.gz KFWJOKWUBZVZTK-QHCPKHFHSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000667216620 871518730 /nfs/dbraw/zinc/51/87/30/871518730.db2.gz KFWJOKWUBZVZTK-QHCPKHFHSA-N 2 1 385.596 3.520 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC001169556850 871635568 /nfs/dbraw/zinc/63/55/68/871635568.db2.gz USFCVSZGLMVXND-LPHOPBHVSA-N 2 1 388.474 3.854 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC001169566352 871643016 /nfs/dbraw/zinc/64/30/16/871643016.db2.gz JCSAXZFMHBRQJB-IFMALSPDSA-N 2 1 385.596 3.834 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC001169677881 871745344 /nfs/dbraw/zinc/74/53/44/871745344.db2.gz LGPWQFZEAYFKAO-HJNYFJLDSA-N 2 1 387.568 3.745 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169672234 871770366 /nfs/dbraw/zinc/77/03/66/871770366.db2.gz MTJOPGBHKKHCFD-ACRUOGEOSA-N 2 1 391.531 3.909 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000462186430 871791246 /nfs/dbraw/zinc/79/12/46/871791246.db2.gz GBTUMOQIHGQKTR-AUSIDOKSSA-N 2 1 377.532 3.533 20 0 GHADMP COCCn1c2ccc(Cl)cc2n(C[N@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000103462246 872016535 /nfs/dbraw/zinc/01/65/35/872016535.db2.gz VBFSYCWFLVPYLS-UHFFFAOYSA-N 2 1 396.988 3.703 20 0 GHADMP COCCn1c2ccc(Cl)cc2n(C[N@@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000103462246 872016549 /nfs/dbraw/zinc/01/65/49/872016549.db2.gz VBFSYCWFLVPYLS-UHFFFAOYSA-N 2 1 396.988 3.703 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2cccc(Cl)c2)CC1 ZINC001195758688 872616521 /nfs/dbraw/zinc/61/65/21/872616521.db2.gz VABXMOYRDQYVSW-QFIPXVFZSA-N 2 1 391.987 3.726 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000540982693 872669671 /nfs/dbraw/zinc/66/96/71/872669671.db2.gz DNEITSWUATVGID-NEWSRXKRSA-N 2 1 399.485 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000540982693 872669678 /nfs/dbraw/zinc/66/96/78/872669678.db2.gz DNEITSWUATVGID-NEWSRXKRSA-N 2 1 399.485 3.713 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCc3n[nH]c4ccccc43)CCCC2)CC1 ZINC000541155054 873036780 /nfs/dbraw/zinc/03/67/80/873036780.db2.gz FQUVMKIGUDCKLI-SFHVURJKSA-N 2 1 384.568 3.897 20 0 GHADMP Cc1nccnc1[C@@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000527360414 873079918 /nfs/dbraw/zinc/07/99/18/873079918.db2.gz UNCPCRLQUUXMHS-CEXWTWQISA-N 2 1 382.552 3.645 20 0 GHADMP CCc1cnccc1[C@@H](C)[NH2+]CC1(C[NH2+][C@@H](C)c2ccncc2CC)COC1 ZINC000541194230 873093913 /nfs/dbraw/zinc/09/39/13/873093913.db2.gz YWYIAUWMMZPOLP-HDICACEKSA-N 2 1 382.552 3.619 20 0 GHADMP CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026191326 873166586 /nfs/dbraw/zinc/16/65/86/873166586.db2.gz ZLIKUTWQWVHOHD-HXUWFJFHSA-N 2 1 393.575 3.850 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000768222165 873174014 /nfs/dbraw/zinc/17/40/14/873174014.db2.gz XGEXLQSFKXRGQB-MOPGFXCFSA-N 2 1 381.605 3.980 20 0 GHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccncc2Cl)c1)C1CCOCC1 ZINC000527651406 873403171 /nfs/dbraw/zinc/40/31/71/873403171.db2.gz AYVPTUAWYJRMCG-UHFFFAOYSA-N 2 1 389.927 3.514 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccncc2Cl)c1)C1CCOCC1 ZINC000527651406 873403178 /nfs/dbraw/zinc/40/31/78/873403178.db2.gz AYVPTUAWYJRMCG-UHFFFAOYSA-N 2 1 389.927 3.514 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000541425142 873536806 /nfs/dbraw/zinc/53/68/06/873536806.db2.gz MCEFEJFVPCPBOR-PMACEKPBSA-N 2 1 384.568 3.580 20 0 GHADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000550882095 882763784 /nfs/dbraw/zinc/76/37/84/882763784.db2.gz IMEFQUYUSXIYKN-GOTSBHOMSA-N 2 1 386.580 3.710 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(=O)N1CCCC1 ZINC000528015961 873914203 /nfs/dbraw/zinc/91/42/03/873914203.db2.gz MFASWMYCJHFJOY-YPAWHYETSA-N 2 1 383.580 3.668 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528111538 874036010 /nfs/dbraw/zinc/03/60/10/874036010.db2.gz CLCNYQVXTHDWMX-NKKJXINNSA-N 2 1 395.591 3.525 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528111538 874036034 /nfs/dbraw/zinc/03/60/34/874036034.db2.gz CLCNYQVXTHDWMX-NKKJXINNSA-N 2 1 395.591 3.525 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000528111538 874036044 /nfs/dbraw/zinc/03/60/44/874036044.db2.gz CLCNYQVXTHDWMX-NKKJXINNSA-N 2 1 395.591 3.525 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ccccc3)c3cncnc3)CC2)oc1C ZINC000541734651 874192110 /nfs/dbraw/zinc/19/21/10/874192110.db2.gz OGIWTCPQSXEWDV-HSZRJFAPSA-N 2 1 391.519 3.673 20 0 GHADMP C[C@@H](C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000769686648 874209498 /nfs/dbraw/zinc/20/94/98/874209498.db2.gz WQVFFVFYQVOHBH-OALUTQOASA-N 2 1 389.584 3.975 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541763499 874230721 /nfs/dbraw/zinc/23/07/21/874230721.db2.gz OHAXNCCLWSDOKG-UIFIKXQLSA-N 2 1 399.966 3.627 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541763499 874230736 /nfs/dbraw/zinc/23/07/36/874230736.db2.gz OHAXNCCLWSDOKG-UIFIKXQLSA-N 2 1 399.966 3.627 20 0 GHADMP Cc1cccc(C)c1C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001198195012 874288294 /nfs/dbraw/zinc/28/82/94/874288294.db2.gz PKTNGAJXCVOIHT-OAQYLSRUSA-N 2 1 393.575 3.905 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666091040 882826532 /nfs/dbraw/zinc/82/65/32/882826532.db2.gz KVHBLLYGPJRILM-SXWKCWPCSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666091040 882826550 /nfs/dbraw/zinc/82/65/50/882826550.db2.gz KVHBLLYGPJRILM-SXWKCWPCSA-N 2 1 384.951 3.670 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449172708 874551863 /nfs/dbraw/zinc/55/18/63/874551863.db2.gz CWXWLPRZOMGEGU-IBGZPJMESA-N 2 1 390.449 3.838 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001198790614 874611317 /nfs/dbraw/zinc/61/13/17/874611317.db2.gz JNFKVWSTDWJXPW-UHFFFAOYSA-N 2 1 392.341 3.796 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508879666 874667981 /nfs/dbraw/zinc/66/79/81/874667981.db2.gz JWVSMSKYDOMNJB-WWPVKYPJSA-N 2 1 394.563 3.594 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449265531 874680950 /nfs/dbraw/zinc/68/09/50/874680950.db2.gz SBMDUKWQFNEHLJ-UWSIMGETSA-N 2 1 396.579 3.552 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC000449320801 874728130 /nfs/dbraw/zinc/72/81/30/874728130.db2.gz PUHVYMBIMUDCDA-WINIVTDRSA-N 2 1 384.589 3.750 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCOC3(CCCCC3)C2)c2cccs2)CC1 ZINC001198967875 874732525 /nfs/dbraw/zinc/73/25/25/874732525.db2.gz CVOUBTYORVGLNR-RBUKOAKNSA-N 2 1 377.598 3.508 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c2cccs2)CC1 ZINC001198967868 874732661 /nfs/dbraw/zinc/73/26/61/874732661.db2.gz CVOUBTYORVGLNR-MOPGFXCFSA-N 2 1 377.598 3.508 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000464894835 874734304 /nfs/dbraw/zinc/73/43/04/874734304.db2.gz PRCUFTAAMZOWGJ-QPPBQGQZSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000464894835 874734308 /nfs/dbraw/zinc/73/43/08/874734308.db2.gz PRCUFTAAMZOWGJ-QPPBQGQZSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000464894835 874734314 /nfs/dbraw/zinc/73/43/14/874734314.db2.gz PRCUFTAAMZOWGJ-QPPBQGQZSA-N 2 1 391.559 3.774 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cccc2C1 ZINC001199345402 874915677 /nfs/dbraw/zinc/91/56/77/874915677.db2.gz RBTKPXJPILDYEO-NHCUHLMSSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cccc2C1 ZINC001199345402 874915685 /nfs/dbraw/zinc/91/56/85/874915685.db2.gz RBTKPXJPILDYEO-NHCUHLMSSA-N 2 1 385.552 3.696 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492504 874925647 /nfs/dbraw/zinc/92/56/47/874925647.db2.gz BYFYCJVBCYDNHU-ICDZXHCJSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492504 874925653 /nfs/dbraw/zinc/92/56/53/874925653.db2.gz BYFYCJVBCYDNHU-ICDZXHCJSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492504 874925656 /nfs/dbraw/zinc/92/56/56/874925656.db2.gz BYFYCJVBCYDNHU-ICDZXHCJSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492504 874925661 /nfs/dbraw/zinc/92/56/61/874925661.db2.gz BYFYCJVBCYDNHU-ICDZXHCJSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449512360 874976407 /nfs/dbraw/zinc/97/64/07/874976407.db2.gz ZNXQVIHJOWSSDC-HSZRJFAPSA-N 2 1 399.623 3.793 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449512360 874976421 /nfs/dbraw/zinc/97/64/21/874976421.db2.gz ZNXQVIHJOWSSDC-HSZRJFAPSA-N 2 1 399.623 3.793 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449512360 874976435 /nfs/dbraw/zinc/97/64/35/874976435.db2.gz ZNXQVIHJOWSSDC-HSZRJFAPSA-N 2 1 399.623 3.793 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449512360 874976449 /nfs/dbraw/zinc/97/64/49/874976449.db2.gz ZNXQVIHJOWSSDC-HSZRJFAPSA-N 2 1 399.623 3.793 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542177680 875123458 /nfs/dbraw/zinc/12/34/58/875123458.db2.gz UQXHFRNGOLODLB-CTNGQTDRSA-N 2 1 395.950 3.992 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000303237115 875324363 /nfs/dbraw/zinc/32/43/63/875324363.db2.gz YBIBLKCUJTYUHQ-LEWJYISDSA-N 2 1 392.632 3.650 20 0 GHADMP COc1ccccc1-c1ncc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000491377258 875658718 /nfs/dbraw/zinc/65/87/18/875658718.db2.gz VYHBZGHMETVCEO-HXUWFJFHSA-N 2 1 388.515 3.764 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000491377258 875658725 /nfs/dbraw/zinc/65/87/25/875658725.db2.gz VYHBZGHMETVCEO-HXUWFJFHSA-N 2 1 388.515 3.764 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000491377258 875658733 /nfs/dbraw/zinc/65/87/33/875658733.db2.gz VYHBZGHMETVCEO-HXUWFJFHSA-N 2 1 388.515 3.764 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729592435 875707039 /nfs/dbraw/zinc/70/70/39/875707039.db2.gz WMPYAWGAGRHVCP-BGYRXZFFSA-N 2 1 388.600 3.648 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180105275 883020243 /nfs/dbraw/zinc/02/02/43/883020243.db2.gz GFEJMHZZFPTXJY-MNRDOXJOSA-N 2 1 396.531 3.522 20 0 GHADMP Clc1cc(C[NH+]2CC[C@@]3(CCOC3)C2)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000450488572 876514390 /nfs/dbraw/zinc/51/43/90/876514390.db2.gz XYMCBTHJBPGKSU-SZPZYZBQSA-N 2 1 390.955 3.565 20 0 GHADMP Clc1cc(C[NH+]2CC[C@]3(CCOC3)C2)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000450488572 876514398 /nfs/dbraw/zinc/51/43/98/876514398.db2.gz XYMCBTHJBPGKSU-SZPZYZBQSA-N 2 1 390.955 3.565 20 0 GHADMP Clc1cc(C[NH+]2CC[C@]3(CCOC3)C2)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000450488572 876514407 /nfs/dbraw/zinc/51/44/07/876514407.db2.gz XYMCBTHJBPGKSU-SZPZYZBQSA-N 2 1 390.955 3.565 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492296866 876594643 /nfs/dbraw/zinc/59/46/43/876594643.db2.gz ZXIGZFBAVLFJBA-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492296866 876594658 /nfs/dbraw/zinc/59/46/58/876594658.db2.gz ZXIGZFBAVLFJBA-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000850036882 876620213 /nfs/dbraw/zinc/62/02/13/876620213.db2.gz UESVKBAKKWGFHZ-UHFFFAOYSA-N 2 1 384.524 3.665 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000858361814 883049045 /nfs/dbraw/zinc/04/90/45/883049045.db2.gz DLWOKTMXUOUNPO-UXPWSPDFSA-N 2 1 390.572 3.985 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000173785116 876636946 /nfs/dbraw/zinc/63/69/46/876636946.db2.gz PKUZPNRQXXYOFQ-NRFANRHFSA-N 2 1 393.575 3.946 20 0 GHADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421706 876903603 /nfs/dbraw/zinc/90/36/03/876903603.db2.gz XPSMKNPBXQCOQA-XLIONFOSSA-N 2 1 390.449 3.924 20 0 GHADMP Brc1ccc(C2CC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000786843038 877007627 /nfs/dbraw/zinc/00/76/27/877007627.db2.gz YBZFIZJCVVNTSV-GQOXECLESA-N 2 1 393.369 3.928 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786907283 877021412 /nfs/dbraw/zinc/02/14/12/877021412.db2.gz VSKZEKOWNMTDJV-IPJJNNNSSA-N 2 1 392.547 3.777 20 0 GHADMP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134905684 883099534 /nfs/dbraw/zinc/09/95/34/883099534.db2.gz YMFODKNILRUSBT-APWZRJJASA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134905684 883099549 /nfs/dbraw/zinc/09/95/49/883099549.db2.gz YMFODKNILRUSBT-APWZRJJASA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134905684 883099563 /nfs/dbraw/zinc/09/95/63/883099563.db2.gz YMFODKNILRUSBT-APWZRJJASA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134905684 883099580 /nfs/dbraw/zinc/09/95/80/883099580.db2.gz YMFODKNILRUSBT-APWZRJJASA-N 2 1 386.927 3.881 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000530242801 877354251 /nfs/dbraw/zinc/35/42/51/877354251.db2.gz PBHJFVXJIWWDKB-HNNXBMFYSA-N 2 1 376.850 3.949 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000136747502 877363661 /nfs/dbraw/zinc/36/36/61/877363661.db2.gz HXIMYYGBPCNQBI-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000136747502 877363679 /nfs/dbraw/zinc/36/36/79/877363679.db2.gz HXIMYYGBPCNQBI-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000136747502 877363692 /nfs/dbraw/zinc/36/36/92/877363692.db2.gz HXIMYYGBPCNQBI-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001183083409 912237567 /nfs/dbraw/zinc/23/75/67/912237567.db2.gz GHNMKWAIWRJUJY-MOPGFXCFSA-N 2 1 399.620 3.749 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001183083409 912237586 /nfs/dbraw/zinc/23/75/86/912237586.db2.gz GHNMKWAIWRJUJY-MOPGFXCFSA-N 2 1 399.620 3.749 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](CC)CC ZINC000551618514 877544137 /nfs/dbraw/zinc/54/41/37/877544137.db2.gz FOPGNEVNMGEBIU-KFKAGJAMSA-N 2 1 383.939 3.709 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000175353073 877640517 /nfs/dbraw/zinc/64/05/17/877640517.db2.gz GJPIYAVLJDRTMS-XLIONFOSSA-N 2 1 392.613 3.551 20 0 GHADMP c1ccc(COC[C@@H]2CC[N@@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699424 877663618 /nfs/dbraw/zinc/66/36/18/877663618.db2.gz ANUQBJRSRWYFJE-JWQCQUIFSA-N 2 1 394.559 3.816 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245429161 877865748 /nfs/dbraw/zinc/86/57/48/877865748.db2.gz MXRGOQGNHOFDIH-REWPJTCUSA-N 2 1 398.595 3.688 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc1 ZINC000788190136 877897385 /nfs/dbraw/zinc/89/73/85/877897385.db2.gz WRFLOZXHNYDSLH-OAQYLSRUSA-N 2 1 396.535 3.761 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000451540374 878104600 /nfs/dbraw/zinc/10/46/00/878104600.db2.gz WNIWLYZXMLEETM-QFIPXVFZSA-N 2 1 393.575 3.914 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000451540374 878104614 /nfs/dbraw/zinc/10/46/14/878104614.db2.gz WNIWLYZXMLEETM-QFIPXVFZSA-N 2 1 393.575 3.914 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000451540374 878104621 /nfs/dbraw/zinc/10/46/21/878104621.db2.gz WNIWLYZXMLEETM-QFIPXVFZSA-N 2 1 393.575 3.914 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3c(C)ccc4ccccc43)C2)CC1 ZINC000451540374 878104630 /nfs/dbraw/zinc/10/46/30/878104630.db2.gz WNIWLYZXMLEETM-QFIPXVFZSA-N 2 1 393.575 3.914 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000245588828 878158484 /nfs/dbraw/zinc/15/84/84/878158484.db2.gz KHBUTNPHRCXIEB-MSOLQXFVSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000245588828 878158504 /nfs/dbraw/zinc/15/85/04/878158504.db2.gz KHBUTNPHRCXIEB-MSOLQXFVSA-N 2 1 378.520 3.933 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000455906951 878175031 /nfs/dbraw/zinc/17/50/31/878175031.db2.gz HSVRRIHYMUCPBE-JTSKRJEESA-N 2 1 380.536 3.878 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC000537766105 878263880 /nfs/dbraw/zinc/26/38/80/878263880.db2.gz AMECZZIMPZJXSU-MDYRTPRTSA-N 2 1 391.506 3.703 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000245655397 878295813 /nfs/dbraw/zinc/29/58/13/878295813.db2.gz DIPUAQGGWNTJQG-MRWXXAKJSA-N 2 1 385.596 3.659 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000245657568 878298980 /nfs/dbraw/zinc/29/89/80/878298980.db2.gz CSISPMHTXHMSOF-PTUXOGIPSA-N 2 1 398.595 3.869 20 0 GHADMP O=C(NCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000245687173 878376179 /nfs/dbraw/zinc/37/61/79/878376179.db2.gz JSZOUKYNCHCPQK-NUNAXRQHSA-N 2 1 395.522 3.731 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000530727899 878402055 /nfs/dbraw/zinc/40/20/55/878402055.db2.gz PLORRFZBKAEPQI-DENIHFKCSA-N 2 1 392.547 3.558 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000176831852 878431035 /nfs/dbraw/zinc/43/10/35/878431035.db2.gz HQMREZNWKXBYHF-RTWAWAEBSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C[NH+]1CCCC1 ZINC000616064933 878502820 /nfs/dbraw/zinc/50/28/20/878502820.db2.gz MIBUCVBHWAUYPQ-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccc1I ZINC000537968116 878639713 /nfs/dbraw/zinc/63/97/13/878639713.db2.gz RCIPJWRKHSNJPG-CHWSQXEVSA-N 2 1 383.277 3.783 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000530867177 878667350 /nfs/dbraw/zinc/66/73/50/878667350.db2.gz YFVXRVVFNMXXTC-LJQANCHMSA-N 2 1 377.529 3.882 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000530867177 878667358 /nfs/dbraw/zinc/66/73/58/878667358.db2.gz YFVXRVVFNMXXTC-LJQANCHMSA-N 2 1 377.529 3.882 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245946006 878784676 /nfs/dbraw/zinc/78/46/76/878784676.db2.gz ABHZYOCFLULZOP-ICSRJNTNSA-N 2 1 390.572 3.601 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C[C@H]2C1 ZINC000853093031 878810610 /nfs/dbraw/zinc/81/06/10/878810610.db2.gz ZTKYNRAESPPYMB-ANULTFPQSA-N 2 1 391.600 3.734 20 0 GHADMP CC(C)n1cc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000538123566 878849151 /nfs/dbraw/zinc/84/91/51/878849151.db2.gz VHQJGPGBVOHNMH-BGYRXZFFSA-N 2 1 384.568 3.763 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246126931 879024275 /nfs/dbraw/zinc/02/42/75/879024275.db2.gz LXSXQFSOXVTGLG-VXKWHMMOSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000667078945 879469861 /nfs/dbraw/zinc/46/98/61/879469861.db2.gz JRWBQLXALDAHCY-LBPRGKRZSA-N 2 1 394.869 3.752 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000667078945 879469866 /nfs/dbraw/zinc/46/98/66/879469866.db2.gz JRWBQLXALDAHCY-LBPRGKRZSA-N 2 1 394.869 3.752 20 0 GHADMP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246426743 879551970 /nfs/dbraw/zinc/55/19/70/879551970.db2.gz CLBCALMNTQMZHJ-NYVOZVTQSA-N 2 1 399.579 3.601 20 0 GHADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]c1 ZINC000246435503 879559977 /nfs/dbraw/zinc/55/99/77/879559977.db2.gz HFGFLYGESBSSJK-FPOVZHCZSA-N 2 1 395.551 3.544 20 0 GHADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]c1 ZINC000246435503 879559990 /nfs/dbraw/zinc/55/99/90/879559990.db2.gz HFGFLYGESBSSJK-FPOVZHCZSA-N 2 1 395.551 3.544 20 0 GHADMP Cc1cc(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)ccc1Br ZINC000531347388 879671193 /nfs/dbraw/zinc/67/11/93/879671193.db2.gz OUIVATAHWUSDAP-UHFFFAOYSA-N 2 1 396.373 3.748 20 0 GHADMP Cc1cc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1Br ZINC000531347388 879671199 /nfs/dbraw/zinc/67/11/99/879671199.db2.gz OUIVATAHWUSDAP-UHFFFAOYSA-N 2 1 396.373 3.748 20 0 GHADMP Cc1cc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1Br ZINC000531347388 879671211 /nfs/dbraw/zinc/67/12/11/879671211.db2.gz OUIVATAHWUSDAP-UHFFFAOYSA-N 2 1 396.373 3.748 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000139782775 879797591 /nfs/dbraw/zinc/79/75/91/879797591.db2.gz BLLMQMFCZJYIMG-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246806074 879808184 /nfs/dbraw/zinc/80/81/84/879808184.db2.gz AIYQEJKWBMICIM-NNFUDEMPSA-N 2 1 380.374 3.594 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443474 879825553 /nfs/dbraw/zinc/82/55/53/879825553.db2.gz AOYTWBCXZSQJIL-DHIUTWEWSA-N 2 1 385.596 3.869 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(OC)cc(C)n2)CC1 ZINC000538611749 879860831 /nfs/dbraw/zinc/86/08/31/879860831.db2.gz GTBVTJDKJRBPPG-KRWDZBQOSA-N 2 1 386.515 3.530 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000246984450 879873177 /nfs/dbraw/zinc/87/31/77/879873177.db2.gz JWKBMSJCECOPKN-NNFUDEMPSA-N 2 1 380.374 3.594 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000247034698 879893284 /nfs/dbraw/zinc/89/32/84/879893284.db2.gz ZXZBFLPOXGRFOV-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000247034698 879893306 /nfs/dbraw/zinc/89/33/06/879893306.db2.gz ZXZBFLPOXGRFOV-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000247034698 879893329 /nfs/dbraw/zinc/89/33/29/879893329.db2.gz ZXZBFLPOXGRFOV-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000247042249 879897501 /nfs/dbraw/zinc/89/75/01/879897501.db2.gz MUCQXJHVVNSYNM-KSSFIOAISA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@@H](C)C1 ZINC000247042249 879897514 /nfs/dbraw/zinc/89/75/14/879897514.db2.gz MUCQXJHVVNSYNM-KSSFIOAISA-N 2 1 387.337 3.815 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000285937423 912508786 /nfs/dbraw/zinc/50/87/86/912508786.db2.gz FNSXHZMJRWAQQG-QFIPXVFZSA-N 2 1 382.552 3.778 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000247147391 879929733 /nfs/dbraw/zinc/92/97/33/879929733.db2.gz SSXDQBAXVHWTND-QZTJIDSGSA-N 2 1 381.520 3.717 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000247147391 879929747 /nfs/dbraw/zinc/92/97/47/879929747.db2.gz SSXDQBAXVHWTND-QZTJIDSGSA-N 2 1 381.520 3.717 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)C ZINC000247408658 879992612 /nfs/dbraw/zinc/99/26/12/879992612.db2.gz IPRMSRVOOSDYNW-YTQUADARSA-N 2 1 394.629 3.797 20 0 GHADMP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000247962322 880094585 /nfs/dbraw/zinc/09/45/85/880094585.db2.gz FOSGMOLOGKFPKZ-GMAHTHKFSA-N 2 1 395.522 3.553 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000247962322 880094600 /nfs/dbraw/zinc/09/46/00/880094600.db2.gz FOSGMOLOGKFPKZ-GMAHTHKFSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000247962322 880094608 /nfs/dbraw/zinc/09/46/08/880094608.db2.gz FOSGMOLOGKFPKZ-GMAHTHKFSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000247962322 880094618 /nfs/dbraw/zinc/09/46/18/880094618.db2.gz FOSGMOLOGKFPKZ-GMAHTHKFSA-N 2 1 395.522 3.553 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H](O)CC(F)(F)F)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453005035 880318991 /nfs/dbraw/zinc/31/89/91/880318991.db2.gz ATXCFZTVSGTROS-RBUKOAKNSA-N 2 1 384.486 3.922 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000184670083 880359283 /nfs/dbraw/zinc/35/92/83/880359283.db2.gz QSGFSDYWELTLMS-KRWDZBQOSA-N 2 1 397.485 3.659 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H](C)C1 ZINC000531738426 880367738 /nfs/dbraw/zinc/36/77/38/880367738.db2.gz RHGSIDGDLDOWOE-QMMLZNLJSA-N 2 1 381.992 3.669 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531738426 880367751 /nfs/dbraw/zinc/36/77/51/880367751.db2.gz RHGSIDGDLDOWOE-QMMLZNLJSA-N 2 1 381.992 3.669 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N(C)C)[C@H](C)C1 ZINC000531738426 880367769 /nfs/dbraw/zinc/36/77/69/880367769.db2.gz RHGSIDGDLDOWOE-QMMLZNLJSA-N 2 1 381.992 3.669 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453084289 880441276 /nfs/dbraw/zinc/44/12/76/880441276.db2.gz DJHQSDMMSAKAPG-SMIHKQSGSA-N 3 1 385.596 3.520 20 0 GHADMP c1ncn(-c2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)c2)n1 ZINC000453114251 880484631 /nfs/dbraw/zinc/48/46/31/880484631.db2.gz SWJGAQALVQYYCF-SGNDLWITSA-N 2 1 387.531 3.800 20 0 GHADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000791621163 880545847 /nfs/dbraw/zinc/54/58/47/880545847.db2.gz SXAZAODIDJIMRL-ZVDOUQERSA-N 2 1 390.449 3.803 20 0 GHADMP O[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000791621163 880545851 /nfs/dbraw/zinc/54/58/51/880545851.db2.gz SXAZAODIDJIMRL-ZVDOUQERSA-N 2 1 390.449 3.803 20 0 GHADMP O[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000791621163 880545857 /nfs/dbraw/zinc/54/58/57/880545857.db2.gz SXAZAODIDJIMRL-ZVDOUQERSA-N 2 1 390.449 3.803 20 0 GHADMP O[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000791621163 880545866 /nfs/dbraw/zinc/54/58/66/880545866.db2.gz SXAZAODIDJIMRL-ZVDOUQERSA-N 2 1 390.449 3.803 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4c(c3)[C@H](O)CCCC4)CC2)CC1 ZINC000855546802 880580785 /nfs/dbraw/zinc/58/07/85/880580785.db2.gz OXUUKNMKSCFZPD-HSZRJFAPSA-N 2 1 399.579 3.581 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197632 880602965 /nfs/dbraw/zinc/60/29/65/880602965.db2.gz NZPCFBIROWEZIO-XMSQKQJNSA-N 2 1 390.531 3.505 20 0 GHADMP CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000531941266 880799533 /nfs/dbraw/zinc/79/95/33/880799533.db2.gz YEJQWWZYVRCDJP-ZBFHGGJFSA-N 2 1 387.446 3.766 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975752 880853548 /nfs/dbraw/zinc/85/35/48/880853548.db2.gz ZBTDYBQNBPPMQS-XMSQKQJNSA-N 2 1 397.950 3.814 20 0 GHADMP C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000187064153 881062108 /nfs/dbraw/zinc/06/21/08/881062108.db2.gz UZYIFKRMKBDSEG-HNNXBMFYSA-N 2 1 397.966 3.956 20 0 GHADMP CC(C)(CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000120109638 881265050 /nfs/dbraw/zinc/26/50/50/881265050.db2.gz QJQSMCYHJXGIDG-GOSISDBHSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286281897 912665586 /nfs/dbraw/zinc/66/55/86/912665586.db2.gz VUOAVZSYQKCVCJ-ABSDTBQOSA-N 2 1 379.504 3.721 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286281897 912665601 /nfs/dbraw/zinc/66/56/01/912665601.db2.gz VUOAVZSYQKCVCJ-ABSDTBQOSA-N 2 1 379.504 3.721 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000132592859 881326793 /nfs/dbraw/zinc/32/67/93/881326793.db2.gz BJKBYMXYGXHUJN-UHFFFAOYSA-N 3 1 385.596 3.530 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000195137406 883191136 /nfs/dbraw/zinc/19/11/36/883191136.db2.gz JSEBOSDUIUPBRZ-PZJWPPBQSA-N 2 1 377.532 3.986 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC001170467080 883333427 /nfs/dbraw/zinc/33/34/27/883333427.db2.gz FJLSNZSQLXYIFZ-IBGZPJMESA-N 2 1 377.960 3.810 20 0 GHADMP Cc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(Cl)c1 ZINC001211910986 883512083 /nfs/dbraw/zinc/51/20/83/883512083.db2.gz OEXMTOAAOWZJTE-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(Cl)c1 ZINC001211910986 883512102 /nfs/dbraw/zinc/51/21/02/883512102.db2.gz OEXMTOAAOWZJTE-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480250 912719274 /nfs/dbraw/zinc/71/92/74/912719274.db2.gz LBHHQMWJDOTHBT-GONLTWLXSA-N 3 1 378.564 3.800 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480250 912719278 /nfs/dbraw/zinc/71/92/78/912719278.db2.gz LBHHQMWJDOTHBT-GONLTWLXSA-N 2 1 378.564 3.800 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480250 912719284 /nfs/dbraw/zinc/71/92/84/912719284.db2.gz LBHHQMWJDOTHBT-GONLTWLXSA-N 2 1 378.564 3.800 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000476986065 883541692 /nfs/dbraw/zinc/54/16/92/883541692.db2.gz QVOFUMWYGFRLGX-RXVVDRJESA-N 2 1 378.532 3.542 20 0 GHADMP CN(C)Cc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000136069222 883645280 /nfs/dbraw/zinc/64/52/80/883645280.db2.gz IPXHPOMFYHUIGB-UHFFFAOYSA-N 2 1 398.570 3.708 20 0 GHADMP c1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000194062344 883655843 /nfs/dbraw/zinc/65/58/43/883655843.db2.gz BBUJEJSHTCUOPD-UHFFFAOYSA-N 2 1 387.531 3.898 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000859213443 883666646 /nfs/dbraw/zinc/66/66/46/883666646.db2.gz XEAPXZHVURPMLU-LJQANCHMSA-N 2 1 395.316 3.815 20 0 GHADMP C[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000859214092 883667327 /nfs/dbraw/zinc/66/73/27/883667327.db2.gz LRYDRLDLCJNJBX-VGSWGCGISA-N 2 1 390.955 3.972 20 0 GHADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213763 883667769 /nfs/dbraw/zinc/66/77/69/883667769.db2.gz IYYQDOKLDMITGY-CQSZACIVSA-N 2 1 377.891 4.000 20 0 GHADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213763 883667774 /nfs/dbraw/zinc/66/77/74/883667774.db2.gz IYYQDOKLDMITGY-CQSZACIVSA-N 2 1 377.891 4.000 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000162820246 883748188 /nfs/dbraw/zinc/74/81/88/883748188.db2.gz ZDQAOTSNRFFZNX-GPXNEJASSA-N 2 1 380.532 3.509 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000162820246 883748199 /nfs/dbraw/zinc/74/81/99/883748199.db2.gz ZDQAOTSNRFFZNX-GPXNEJASSA-N 2 1 380.532 3.509 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000162820246 883748206 /nfs/dbraw/zinc/74/82/06/883748206.db2.gz ZDQAOTSNRFFZNX-GPXNEJASSA-N 2 1 380.532 3.509 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000194643399 883879828 /nfs/dbraw/zinc/87/98/28/883879828.db2.gz CLLJWVSGLMYWSO-HSZRJFAPSA-N 2 1 391.559 3.565 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000465445166 883986665 /nfs/dbraw/zinc/98/66/65/883986665.db2.gz HBCRPZBFKUTTNV-HXUWFJFHSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000130026746 884076920 /nfs/dbraw/zinc/07/69/20/884076920.db2.gz UGWUINDBBYFCKB-ICSRJNTNSA-N 2 1 397.567 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000130026746 884076941 /nfs/dbraw/zinc/07/69/41/884076941.db2.gz UGWUINDBBYFCKB-ICSRJNTNSA-N 2 1 397.567 3.909 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000130104497 884180424 /nfs/dbraw/zinc/18/04/24/884180424.db2.gz KIFGWJCBLGPRNR-JOCHJYFZSA-N 2 1 396.510 3.565 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000192762002 884297408 /nfs/dbraw/zinc/29/74/08/884297408.db2.gz HVVIIWGWBZZQEN-IBGZPJMESA-N 2 1 390.641 3.617 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(C)=O ZINC000192930128 884314428 /nfs/dbraw/zinc/31/44/28/884314428.db2.gz ZIRLWKHFSJIMKW-XLIONFOSSA-N 2 1 381.520 3.826 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000495109448 884561008 /nfs/dbraw/zinc/56/10/08/884561008.db2.gz PKYZANNAONYJJI-XQBPLPMBSA-N 2 1 396.531 3.627 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2F)CC1 ZINC000806783294 884980115 /nfs/dbraw/zinc/98/01/15/884980115.db2.gz CSSICIUCHMABDG-LJQANCHMSA-N 2 1 390.547 3.559 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000498608729 885043959 /nfs/dbraw/zinc/04/39/59/885043959.db2.gz ZNJBADZVNGOCIX-AUSIDOKSSA-N 2 1 398.595 3.746 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](CSc2ccccc2)C1)c1ccccc1 ZINC000460384823 885200076 /nfs/dbraw/zinc/20/00/76/885200076.db2.gz HBKSUVXCEGFNBD-UGKGYDQZSA-N 2 1 397.588 3.520 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000303045771 885438024 /nfs/dbraw/zinc/43/80/24/885438024.db2.gz UKXUEAJSHXGLSZ-XJUOHMSHSA-N 2 1 385.596 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000303045771 885438030 /nfs/dbraw/zinc/43/80/30/885438030.db2.gz UKXUEAJSHXGLSZ-XJUOHMSHSA-N 2 1 385.596 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000303045771 885438037 /nfs/dbraw/zinc/43/80/37/885438037.db2.gz UKXUEAJSHXGLSZ-XJUOHMSHSA-N 2 1 385.596 3.773 20 0 GHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC000465487591 885480461 /nfs/dbraw/zinc/48/04/61/885480461.db2.gz DUEIHIJHHXYFKE-WOJBJXKFSA-N 2 1 394.991 3.849 20 0 GHADMP C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000807620930 885576742 /nfs/dbraw/zinc/57/67/42/885576742.db2.gz SYUMOSVBUXXNJC-CVDCTZTESA-N 2 1 394.563 3.553 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000532480074 885792128 /nfs/dbraw/zinc/79/21/28/885792128.db2.gz HBEGJNUDLNLPJK-HZPDHXFCSA-N 2 1 381.948 3.776 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000550703835 885954961 /nfs/dbraw/zinc/95/49/61/885954961.db2.gz OSZICKAZQKCKRL-SJORKVTESA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C[C@H]1c1ccccc1 ZINC000550703835 885954977 /nfs/dbraw/zinc/95/49/77/885954977.db2.gz OSZICKAZQKCKRL-SJORKVTESA-N 2 1 379.426 3.904 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001168489052 886033279 /nfs/dbraw/zinc/03/32/79/886033279.db2.gz VUVKRPQSOAJWCQ-AUSIDOKSSA-N 2 1 397.538 3.907 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)CC1)CC1CC1 ZINC000808175598 886068826 /nfs/dbraw/zinc/06/88/26/886068826.db2.gz SGKMPRCTUDRGOQ-QFIPXVFZSA-N 2 1 398.595 3.783 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)CC1)CC1CC1 ZINC000808175598 886068846 /nfs/dbraw/zinc/06/88/46/886068846.db2.gz SGKMPRCTUDRGOQ-QFIPXVFZSA-N 2 1 398.595 3.783 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000131556935 886255354 /nfs/dbraw/zinc/25/53/54/886255354.db2.gz VYWRIJNAJKBUJY-UONOGXRCSA-N 2 1 385.321 3.740 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)CCn1cc[nH+]c1C(C)C)[NH+]1CCCCC1 ZINC000118776885 886262797 /nfs/dbraw/zinc/26/27/97/886262797.db2.gz SRCUYGKWYJJVAW-HXUWFJFHSA-N 2 1 398.551 3.749 20 0 GHADMP Cc1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccnc1F ZINC000862377431 886336811 /nfs/dbraw/zinc/33/68/11/886336811.db2.gz HPXLGPAKANHWNM-OAQYLSRUSA-N 2 1 383.511 3.548 20 0 GHADMP COCCOc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000556857680 886388183 /nfs/dbraw/zinc/38/81/83/886388183.db2.gz ACSNEJCRFUCRHO-UHFFFAOYSA-N 2 1 383.536 3.640 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1-n1ccnn1 ZINC000556871563 886427150 /nfs/dbraw/zinc/42/71/50/886427150.db2.gz UNMIGSCWWONODV-ZWKOTPCHSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1-n1ccnn1 ZINC000556871563 886427164 /nfs/dbraw/zinc/42/71/64/886427164.db2.gz UNMIGSCWWONODV-ZWKOTPCHSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808680322 886636625 /nfs/dbraw/zinc/63/66/25/886636625.db2.gz KFKDMDLHBIQHSN-WOZUAGRISA-N 2 1 387.568 3.996 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000808680322 886636632 /nfs/dbraw/zinc/63/66/32/886636632.db2.gz KFKDMDLHBIQHSN-WOZUAGRISA-N 2 1 387.568 3.996 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459248547 886815001 /nfs/dbraw/zinc/81/50/01/886815001.db2.gz DLVNKMQESUWVDE-GOSISDBHSA-N 2 1 383.540 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459248547 886815024 /nfs/dbraw/zinc/81/50/24/886815024.db2.gz DLVNKMQESUWVDE-GOSISDBHSA-N 2 1 383.540 3.908 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCSc3cccc(Cl)c3)CC2)CC1 ZINC000660106270 887011772 /nfs/dbraw/zinc/01/17/72/887011772.db2.gz AWVGJNAUWWXWBY-UHFFFAOYSA-N 2 1 382.017 3.923 20 0 GHADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666665092 887039949 /nfs/dbraw/zinc/03/99/49/887039949.db2.gz UFOJZMZRPVLWOV-OAQYLSRUSA-N 2 1 398.595 3.699 20 0 GHADMP COC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001184264521 913106796 /nfs/dbraw/zinc/10/67/96/913106796.db2.gz DTSPFAFIKAZBDM-VJBWXMMDSA-N 2 1 378.516 3.864 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H](C)c3ccc(F)cc3)cc2)CC1 ZINC000014703316 887206783 /nfs/dbraw/zinc/20/67/83/887206783.db2.gz NDLLPJDWFXNXKC-GOSISDBHSA-N 2 1 398.526 3.599 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](C)c3ccc(F)cc3)cc2)CC1 ZINC000014703316 887206806 /nfs/dbraw/zinc/20/68/06/887206806.db2.gz NDLLPJDWFXNXKC-GOSISDBHSA-N 2 1 398.526 3.599 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000459350117 887560813 /nfs/dbraw/zinc/56/08/13/887560813.db2.gz YDVSRHWXEGHEMM-KRWDZBQOSA-N 2 1 376.570 3.514 20 0 GHADMP CC[N@@H+](Cc1cc(COC)on1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000459352328 887571669 /nfs/dbraw/zinc/57/16/69/887571669.db2.gz QGCORYKSSLXBIO-UHFFFAOYSA-N 2 1 387.528 3.534 20 0 GHADMP CCN(Cc1cc(COC)on1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000459352328 887571674 /nfs/dbraw/zinc/57/16/74/887571674.db2.gz QGCORYKSSLXBIO-UHFFFAOYSA-N 2 1 387.528 3.534 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000809616268 887588393 /nfs/dbraw/zinc/58/83/93/887588393.db2.gz LTVYRUDUZKIVMU-JOCHJYFZSA-N 2 1 387.568 3.745 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000809738928 887775246 /nfs/dbraw/zinc/77/52/46/887775246.db2.gz PSCNVDIFRJOBKM-UHFFFAOYSA-N 2 1 392.503 3.542 20 0 GHADMP C[NH+](C)[C@@H](CNc1cc[nH+]c(N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC001170588638 887962464 /nfs/dbraw/zinc/96/24/64/887962464.db2.gz KNECKSZHMRVAOI-SFHVURJKSA-N 2 1 395.334 3.940 20 0 GHADMP C[N@@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000810017002 888082856 /nfs/dbraw/zinc/08/28/56/888082856.db2.gz JABXQUNEUZRGQL-NAEGJUCDSA-N 2 1 379.589 3.875 20 0 GHADMP C[NH+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000810017002 888082869 /nfs/dbraw/zinc/08/28/69/888082869.db2.gz JABXQUNEUZRGQL-NAEGJUCDSA-N 2 1 379.589 3.875 20 0 GHADMP C[NH+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000810017002 888082887 /nfs/dbraw/zinc/08/28/87/888082887.db2.gz JABXQUNEUZRGQL-NAEGJUCDSA-N 2 1 379.589 3.875 20 0 GHADMP CCCCCC[C@@H](CC)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001170597358 888175675 /nfs/dbraw/zinc/17/56/75/888175675.db2.gz ASMYCTUMRHYCBN-HXUWFJFHSA-N 2 1 391.604 3.845 20 0 GHADMP O=C(c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1)N1CCCC1 ZINC000865437753 888350062 /nfs/dbraw/zinc/35/00/62/888350062.db2.gz FEDXEHJKIHAIIA-FQEVSTJZSA-N 2 1 397.588 3.986 20 0 GHADMP O=C(c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1)N1CCCC1 ZINC000865437753 888350073 /nfs/dbraw/zinc/35/00/73/888350073.db2.gz FEDXEHJKIHAIIA-FQEVSTJZSA-N 2 1 397.588 3.986 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c2cccs2)CC1 ZINC000729677642 888431319 /nfs/dbraw/zinc/43/13/19/888431319.db2.gz ZZHLAWWZKMLZNR-IBGZPJMESA-N 2 1 385.577 3.540 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000865792351 888578821 /nfs/dbraw/zinc/57/88/21/888578821.db2.gz GDOUBTWULRHLBO-XUTJKUGGSA-N 2 1 387.568 3.586 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCC[NH+](C)C3CC3)cc2)C1 ZINC000454302630 888733514 /nfs/dbraw/zinc/73/35/14/888733514.db2.gz CPTUWGKYEBCFAC-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NCCCC[N@H+](C)C3CC3)cc2)C1 ZINC000454302630 888733525 /nfs/dbraw/zinc/73/35/25/888733525.db2.gz CPTUWGKYEBCFAC-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NCCCC[N@@H+](C)C3CC3)cc2)C1 ZINC000454302630 888733544 /nfs/dbraw/zinc/73/35/44/888733544.db2.gz CPTUWGKYEBCFAC-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[NH+]1Cc1ccccc1 ZINC000810650046 888746716 /nfs/dbraw/zinc/74/67/16/888746716.db2.gz YXVFGVBYKKYSOR-XQFWAAQXSA-N 2 1 389.559 3.616 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C[N@@H+]1Cc1ccccc1 ZINC000810650046 888746725 /nfs/dbraw/zinc/74/67/25/888746725.db2.gz YXVFGVBYKKYSOR-XQFWAAQXSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000123364162 888861003 /nfs/dbraw/zinc/86/10/03/888861003.db2.gz DXIBLAPDEOHCEC-JTHBVZDNSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532764873 888908455 /nfs/dbraw/zinc/90/84/55/888908455.db2.gz ZDMWNFBVYDBKQN-AQNXPRMDSA-N 2 1 397.563 3.838 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1 ZINC000866575112 888946122 /nfs/dbraw/zinc/94/61/22/888946122.db2.gz IJEYSNMQFZOQOY-KRWDZBQOSA-N 2 1 389.503 3.557 20 0 GHADMP C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000868184310 889340460 /nfs/dbraw/zinc/34/04/60/889340460.db2.gz MNDRQJIOLRRVSJ-VOQZNFBZSA-N 2 1 378.520 3.630 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644531069 913342934 /nfs/dbraw/zinc/34/29/34/913342934.db2.gz YQPSHGKFAUDYDW-XZOQPEGZSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644531067 913343266 /nfs/dbraw/zinc/34/32/66/913343266.db2.gz YQPSHGKFAUDYDW-GOTSBHOMSA-N 2 1 382.548 3.545 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000644530749 913345315 /nfs/dbraw/zinc/34/53/15/913345315.db2.gz MQDDLDRWUCZJKB-SFHVURJKSA-N 2 1 387.474 3.795 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000122326076 889645141 /nfs/dbraw/zinc/64/51/41/889645141.db2.gz DAFPPTTXVOLZQR-PCCBWWKXSA-N 2 1 387.568 3.586 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000811515292 889712496 /nfs/dbraw/zinc/71/24/96/889712496.db2.gz XHGQCDWBZGKHSI-SFHVURJKSA-N 2 1 399.501 3.535 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000811515292 889712510 /nfs/dbraw/zinc/71/25/10/889712510.db2.gz XHGQCDWBZGKHSI-SFHVURJKSA-N 2 1 399.501 3.535 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000811515292 889712519 /nfs/dbraw/zinc/71/25/19/889712519.db2.gz XHGQCDWBZGKHSI-SFHVURJKSA-N 2 1 399.501 3.535 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811742514 889909161 /nfs/dbraw/zinc/90/91/61/889909161.db2.gz HQSQDVUCFXHCKL-HSZRJFAPSA-N 2 1 379.548 3.619 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC[C@H](Cc2ccccc2)C1=O ZINC000811742514 889909176 /nfs/dbraw/zinc/90/91/76/889909176.db2.gz HQSQDVUCFXHCKL-HSZRJFAPSA-N 2 1 379.548 3.619 20 0 GHADMP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000064508788 889975394 /nfs/dbraw/zinc/97/53/94/889975394.db2.gz LZJUDRVWISSMHJ-UHFFFAOYSA-N 2 1 398.378 3.947 20 0 GHADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000064508788 889975408 /nfs/dbraw/zinc/97/54/08/889975408.db2.gz LZJUDRVWISSMHJ-UHFFFAOYSA-N 2 1 398.378 3.947 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](C2CCC2)CC1 ZINC000454974535 890052673 /nfs/dbraw/zinc/05/26/73/890052673.db2.gz CXQNABMLONVJGD-OAQYLSRUSA-N 2 1 398.595 3.605 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890307 890568214 /nfs/dbraw/zinc/56/82/14/890568214.db2.gz LFBMNKCMZSGSCS-RWQQGDIJSA-N 2 1 397.485 3.722 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCOCC2)cc1 ZINC000420924667 890590741 /nfs/dbraw/zinc/59/07/41/890590741.db2.gz UCUPXQPULCNDOP-UHFFFAOYSA-N 2 1 398.522 3.839 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCOCC2)cc1 ZINC000420924667 890590753 /nfs/dbraw/zinc/59/07/53/890590753.db2.gz UCUPXQPULCNDOP-UHFFFAOYSA-N 2 1 398.522 3.839 20 0 GHADMP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC000126659060 890636041 /nfs/dbraw/zinc/63/60/41/890636041.db2.gz STDHFLYQUBWXCZ-LJQANCHMSA-N 2 1 397.563 3.610 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Cl ZINC000126678440 890645105 /nfs/dbraw/zinc/64/51/05/890645105.db2.gz IQGAZUMUDYPFOC-KRWDZBQOSA-N 2 1 387.955 3.947 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000126688577 890649769 /nfs/dbraw/zinc/64/97/69/890649769.db2.gz LLJARYPYVOSEPZ-JOCHJYFZSA-N 2 1 397.563 3.692 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000127107240 890896696 /nfs/dbraw/zinc/89/66/96/890896696.db2.gz LPCHJVAXNXFONA-NRFANRHFSA-N 2 1 392.563 3.582 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000455444914 890973413 /nfs/dbraw/zinc/97/34/13/890973413.db2.gz KVOXPJOAUVOENW-ZEUDZUEXSA-N 2 1 398.595 3.589 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000455444914 890973425 /nfs/dbraw/zinc/97/34/25/890973425.db2.gz KVOXPJOAUVOENW-ZEUDZUEXSA-N 2 1 398.595 3.589 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455444914 890973431 /nfs/dbraw/zinc/97/34/31/890973431.db2.gz KVOXPJOAUVOENW-ZEUDZUEXSA-N 2 1 398.595 3.589 20 0 GHADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000066962031 891124160 /nfs/dbraw/zinc/12/41/60/891124160.db2.gz UILQJILWTWZKMY-QGZVFWFLSA-N 2 1 383.536 3.949 20 0 GHADMP [NH3+]C1(Cc2nc([C@H]3CCc4ccccc43)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872174199 891197259 /nfs/dbraw/zinc/19/72/59/891197259.db2.gz HBSLCBMLTWKQSU-NRFANRHFSA-N 2 1 388.515 3.684 20 0 GHADMP [NH3+]C1(Cc2nc([C@@H]3CCc4ccccc43)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872174200 891197566 /nfs/dbraw/zinc/19/75/66/891197566.db2.gz HBSLCBMLTWKQSU-OAQYLSRUSA-N 2 1 388.515 3.684 20 0 GHADMP [NH3+]C1(Cc2nc(-c3ccc(F)cc3F)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872182752 891205402 /nfs/dbraw/zinc/20/54/02/891205402.db2.gz PJVMYVQPACXDKD-UHFFFAOYSA-N 2 1 384.430 3.551 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000248157229 891414316 /nfs/dbraw/zinc/41/43/16/891414316.db2.gz RMYYCRYCIWSBJC-XAUMDUMWSA-N 2 1 392.590 3.885 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000248157229 891414322 /nfs/dbraw/zinc/41/43/22/891414322.db2.gz RMYYCRYCIWSBJC-XAUMDUMWSA-N 2 1 392.590 3.885 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nnn1-c1ccc(F)cc1 ZINC000128172778 891461072 /nfs/dbraw/zinc/46/10/72/891461072.db2.gz AUQNXXWXWRCZHF-INIZCTEOSA-N 2 1 394.498 3.738 20 0 GHADMP C[C@H]1CN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+](C2CCC2)C1 ZINC000813610023 891811479 /nfs/dbraw/zinc/81/14/79/891811479.db2.gz IMBHIFHEDFZTQH-LJQANCHMSA-N 2 1 390.616 3.547 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1c1cccc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000068299599 892169965 /nfs/dbraw/zinc/16/99/65/892169965.db2.gz NDASEUFGCWZUFC-HSZRJFAPSA-N 2 1 377.532 3.720 20 0 GHADMP CCn1ccnc1C[N@H+](CCOc1c(C)cccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261990708 892190224 /nfs/dbraw/zinc/19/02/24/892190224.db2.gz CUZDFOIEKVISJU-FQEVSTJZSA-N 2 1 382.552 3.543 20 0 GHADMP CCn1ccnc1C[N@@H+](CCOc1c(C)cccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261990708 892190227 /nfs/dbraw/zinc/19/02/27/892190227.db2.gz CUZDFOIEKVISJU-FQEVSTJZSA-N 2 1 382.552 3.543 20 0 GHADMP Clc1ccc(Cl)c(-c2csc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262071936 892212860 /nfs/dbraw/zinc/21/28/60/892212860.db2.gz CMTWLXMUDKBOCF-AWEZNQCLSA-N 2 1 397.375 3.596 20 0 GHADMP Clc1ccc(Cl)c(-c2csc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262071936 892212877 /nfs/dbraw/zinc/21/28/77/892212877.db2.gz CMTWLXMUDKBOCF-AWEZNQCLSA-N 2 1 397.375 3.596 20 0 GHADMP CC[C@@H](C)Oc1ccccc1/C=C\C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000729824052 892248490 /nfs/dbraw/zinc/24/84/90/892248490.db2.gz DVJZBSXACMSKCI-HJCTWCACSA-N 2 1 394.519 3.663 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000611671784 892318896 /nfs/dbraw/zinc/31/88/96/892318896.db2.gz LSUPYXJRRNJMOF-GOTSBHOMSA-N 2 1 394.563 3.768 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000611671784 892318917 /nfs/dbraw/zinc/31/89/17/892318917.db2.gz LSUPYXJRRNJMOF-GOTSBHOMSA-N 2 1 394.563 3.768 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1)C(C)C ZINC000162473764 892573802 /nfs/dbraw/zinc/57/38/02/892573802.db2.gz LQFFJJATBAYMFB-UHFFFAOYSA-N 2 1 380.536 3.583 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1)C(C)C ZINC000162473764 892573816 /nfs/dbraw/zinc/57/38/16/892573816.db2.gz LQFFJJATBAYMFB-UHFFFAOYSA-N 2 1 380.536 3.583 20 0 GHADMP C[NH+](C)CCOc1cccc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000162561665 892730723 /nfs/dbraw/zinc/73/07/23/892730723.db2.gz XLMGEZJTRQZAGA-UHFFFAOYSA-N 2 1 399.554 3.563 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000162561665 892730731 /nfs/dbraw/zinc/73/07/31/892730731.db2.gz XLMGEZJTRQZAGA-UHFFFAOYSA-N 3 1 399.554 3.563 20 0 GHADMP COc1cc(NCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000508723503 892989300 /nfs/dbraw/zinc/98/93/00/892989300.db2.gz XJYYCSDFUGGTQG-ICSRJNTNSA-N 2 1 383.536 3.616 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000069160388 893176119 /nfs/dbraw/zinc/17/61/19/893176119.db2.gz LXHLACTVAWSFES-LJQANCHMSA-N 2 1 375.520 3.756 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCO1 ZINC000459393145 893449916 /nfs/dbraw/zinc/44/99/16/893449916.db2.gz VKOYCIYRWVZIFV-VQTJNVASSA-N 2 1 399.604 3.975 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000459393145 893449924 /nfs/dbraw/zinc/44/99/24/893449924.db2.gz VKOYCIYRWVZIFV-VQTJNVASSA-N 2 1 399.604 3.975 20 0 GHADMP Cc1nn(C)c2ncc(CN3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc12 ZINC000536674888 893513610 /nfs/dbraw/zinc/51/36/10/893513610.db2.gz FJTVQHAMMGESBC-DEOSSOPVSA-N 2 1 389.547 3.765 20 0 GHADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)C[C@H](C)N1C ZINC000815181047 893524477 /nfs/dbraw/zinc/52/44/77/893524477.db2.gz IAFZGQQVAAHUSD-MESAYYPLSA-N 2 1 380.665 3.766 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000536696856 893565382 /nfs/dbraw/zinc/56/53/82/893565382.db2.gz PJXSAUXKCSZJBC-LJQANCHMSA-N 2 1 376.932 3.663 20 0 GHADMP CN(CC1CCCCC1)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536702061 893579001 /nfs/dbraw/zinc/57/90/01/893579001.db2.gz BDLHLONDIKLNRN-UHFFFAOYSA-N 2 1 386.584 3.659 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)C1 ZINC000815202715 893597744 /nfs/dbraw/zinc/59/77/44/893597744.db2.gz YZEROCISUWLRBL-PMACEKPBSA-N 2 1 379.589 3.974 20 0 GHADMP CCn1nncc1C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459525413 893729062 /nfs/dbraw/zinc/72/90/62/893729062.db2.gz NAUTWKKVBIOBSX-QHCPKHFHSA-N 2 1 381.568 3.955 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000563499175 893830124 /nfs/dbraw/zinc/83/01/24/893830124.db2.gz PAUFEDAPAMSERT-AZUAARDMSA-N 2 1 392.547 3.755 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221222 893849638 /nfs/dbraw/zinc/84/96/38/893849638.db2.gz LNJKYSMULLRTQC-CMKODMSKSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221637 893852219 /nfs/dbraw/zinc/85/22/19/893852219.db2.gz QXJVRYVPJIGPDC-JPYJTQIMSA-N 2 1 387.568 3.744 20 0 GHADMP C(C[NH+]1CCCC[C@@H]([C@@H]2CCOC2)C1)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837793 893966564 /nfs/dbraw/zinc/96/65/64/893966564.db2.gz LKJUQOSCUYDIAK-KAOXLYBCSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837793 893966579 /nfs/dbraw/zinc/96/65/79/893966579.db2.gz LKJUQOSCUYDIAK-KAOXLYBCSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837793 893966586 /nfs/dbraw/zinc/96/65/86/893966586.db2.gz LKJUQOSCUYDIAK-KAOXLYBCSA-N 2 1 378.601 3.654 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1)CC(C)C ZINC000536886382 894022419 /nfs/dbraw/zinc/02/24/19/894022419.db2.gz PEMHCWXMQYUGRS-GOSISDBHSA-N 2 1 391.522 3.620 20 0 GHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000563932974 894344580 /nfs/dbraw/zinc/34/45/80/894344580.db2.gz DYWRUICICFQENW-DXIQSLLYSA-N 2 1 397.567 3.619 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000537205757 894595065 /nfs/dbraw/zinc/59/50/65/894595065.db2.gz RBWWJUPJKPSAQN-CYBMUJFWSA-N 2 1 377.273 3.824 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000537205757 894595076 /nfs/dbraw/zinc/59/50/76/894595076.db2.gz RBWWJUPJKPSAQN-CYBMUJFWSA-N 2 1 377.273 3.824 20 0 GHADMP C[NH+](Cc1ccc(OC(F)F)c(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000537205757 894595082 /nfs/dbraw/zinc/59/50/82/894595082.db2.gz RBWWJUPJKPSAQN-CYBMUJFWSA-N 2 1 377.273 3.824 20 0 GHADMP C[NH+](Cc1ccc(OC(F)F)c(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000537205757 894595090 /nfs/dbraw/zinc/59/50/90/894595090.db2.gz RBWWJUPJKPSAQN-CYBMUJFWSA-N 2 1 377.273 3.824 20 0 GHADMP C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537289668 894711623 /nfs/dbraw/zinc/71/16/23/894711623.db2.gz HYAOKTUFPDHJCH-NMNUPHIUSA-N 2 1 377.532 3.507 20 0 GHADMP CCN(C(=O)NCC[NH+]1CC=C(C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460217940 894875702 /nfs/dbraw/zinc/87/57/02/894875702.db2.gz SCQVRPROXSRQKA-RBBKRZOGSA-N 2 1 384.568 3.505 20 0 GHADMP CCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000460217940 894875715 /nfs/dbraw/zinc/87/57/15/894875715.db2.gz SCQVRPROXSRQKA-RBBKRZOGSA-N 2 1 384.568 3.505 20 0 GHADMP CCN(C(=O)NCC[N@@H+]1CC=C(C)CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000460217940 894875724 /nfs/dbraw/zinc/87/57/24/894875724.db2.gz SCQVRPROXSRQKA-RBBKRZOGSA-N 2 1 384.568 3.505 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC001135631290 894904188 /nfs/dbraw/zinc/90/41/88/894904188.db2.gz WLNGWUNVUJLRPF-MDNUFGMLSA-N 2 1 385.596 3.915 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001135631290 894904191 /nfs/dbraw/zinc/90/41/91/894904191.db2.gz WLNGWUNVUJLRPF-MDNUFGMLSA-N 2 1 385.596 3.915 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001135631290 894904200 /nfs/dbraw/zinc/90/42/00/894904200.db2.gz WLNGWUNVUJLRPF-MDNUFGMLSA-N 2 1 385.596 3.915 20 0 GHADMP CC[NH+]1CCC(Nc2cc(NC(=O)C[N@H+]3CCCC[C@@H]3C)ccc2F)CC1 ZINC000537445026 894988500 /nfs/dbraw/zinc/98/85/00/894988500.db2.gz PRYSFTHERTVNNZ-INIZCTEOSA-N 2 1 376.520 3.535 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CCC(c3ccccc3)([NH+]3CCCC3)CC2)s1 ZINC000897567373 895072702 /nfs/dbraw/zinc/07/27/02/895072702.db2.gz AEKIXLGTEZGEFH-UHFFFAOYSA-N 2 1 384.593 3.792 20 0 GHADMP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC001135724071 895139547 /nfs/dbraw/zinc/13/95/47/895139547.db2.gz AXKBBNTUQCFVMG-QHCPKHFHSA-N 2 1 397.538 3.819 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC001135724071 895139551 /nfs/dbraw/zinc/13/95/51/895139551.db2.gz AXKBBNTUQCFVMG-QHCPKHFHSA-N 2 1 397.538 3.819 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC001135724071 895139554 /nfs/dbraw/zinc/13/95/54/895139554.db2.gz AXKBBNTUQCFVMG-QHCPKHFHSA-N 2 1 397.538 3.819 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC001135724071 895139556 /nfs/dbraw/zinc/13/95/56/895139556.db2.gz AXKBBNTUQCFVMG-QHCPKHFHSA-N 2 1 397.538 3.819 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000543763023 913953966 /nfs/dbraw/zinc/95/39/66/913953966.db2.gz XBOUQTOBDJPMIN-ADYITMSISA-N 2 1 394.538 3.690 20 0 GHADMP C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000565044992 895367407 /nfs/dbraw/zinc/36/74/07/895367407.db2.gz VKNCTAOYQSEHJU-MRXNPFEDSA-N 2 1 398.938 3.585 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](Cc4ccccc4)[C@@H]3C)CC2)CC1 ZINC000565187536 895448168 /nfs/dbraw/zinc/44/81/68/895448168.db2.gz CLIXMPAFDUPCFR-NZQKXSOJSA-N 2 1 397.607 3.662 20 0 GHADMP Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000817276998 895463074 /nfs/dbraw/zinc/46/30/74/895463074.db2.gz WEXXZENYLOWBRS-VWLOTQADSA-N 2 1 394.559 3.773 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000565327217 895536979 /nfs/dbraw/zinc/53/69/79/895536979.db2.gz XNXVFORBHRYIJB-HXUWFJFHSA-N 2 1 396.579 3.847 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000565327217 895536986 /nfs/dbraw/zinc/53/69/86/895536986.db2.gz XNXVFORBHRYIJB-HXUWFJFHSA-N 2 1 396.579 3.847 20 0 GHADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC000565422273 895613463 /nfs/dbraw/zinc/61/34/63/895613463.db2.gz YSEGBBNPBNPMLF-GOTSBHOMSA-N 2 1 391.559 3.556 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)cs1)CC2 ZINC001137154770 895723554 /nfs/dbraw/zinc/72/35/54/895723554.db2.gz SNBUBUBRSQBLID-FQEVSTJZSA-N 2 1 385.577 3.955 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@H](C)C1 ZINC000289017387 914001607 /nfs/dbraw/zinc/00/16/07/914001607.db2.gz AMLROHICXBUUPY-GDBMZVCRSA-N 2 1 386.483 3.510 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@H](C)C1 ZINC000289017387 914001620 /nfs/dbraw/zinc/00/16/20/914001620.db2.gz AMLROHICXBUUPY-GDBMZVCRSA-N 2 1 386.483 3.510 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@H](C)C1 ZINC000289017387 914001639 /nfs/dbraw/zinc/00/16/39/914001639.db2.gz AMLROHICXBUUPY-GDBMZVCRSA-N 2 1 386.483 3.510 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@H](C)C1 ZINC000289017387 914001657 /nfs/dbraw/zinc/00/16/57/914001657.db2.gz AMLROHICXBUUPY-GDBMZVCRSA-N 2 1 386.483 3.510 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000565887479 895959105 /nfs/dbraw/zinc/95/91/05/895959105.db2.gz RVDUKMVBKWHQJW-GGAORHGYSA-N 2 1 392.547 3.972 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000566242803 896194850 /nfs/dbraw/zinc/19/48/50/896194850.db2.gz KCSYKQJYXTUPGQ-IBGZPJMESA-N 2 1 379.504 3.739 20 0 GHADMP C[C@@]1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000566319296 896234504 /nfs/dbraw/zinc/23/45/04/896234504.db2.gz BMEQSRFPENPJAD-RUZDIDTESA-N 2 1 391.559 3.679 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000566388286 896282240 /nfs/dbraw/zinc/28/22/40/896282240.db2.gz LAKKWKGSXSTITG-HYBUGGRVSA-N 2 1 382.548 3.992 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000566388286 896282256 /nfs/dbraw/zinc/28/22/56/896282256.db2.gz LAKKWKGSXSTITG-HYBUGGRVSA-N 2 1 382.548 3.992 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000818970381 896329422 /nfs/dbraw/zinc/32/94/22/896329422.db2.gz ODRHTZRVHZHPME-IBGZPJMESA-N 2 1 382.426 3.860 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000566470197 896330373 /nfs/dbraw/zinc/33/03/73/896330373.db2.gz OZFPLEVGSJRNTO-LADGPHEKSA-N 2 1 397.607 3.883 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 ZINC001136192666 896398431 /nfs/dbraw/zinc/39/84/31/896398431.db2.gz MOGKIVUTAQUVAK-JOCHJYFZSA-N 2 1 399.966 3.986 20 0 GHADMP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001136218671 896633618 /nfs/dbraw/zinc/63/36/18/896633618.db2.gz ZHVVAALLTJVFIV-VQTJNVASSA-N 2 1 377.960 3.858 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001136218671 896633621 /nfs/dbraw/zinc/63/36/21/896633621.db2.gz ZHVVAALLTJVFIV-VQTJNVASSA-N 2 1 377.960 3.858 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)[C@H]1c1cccs1 ZINC000567121089 896890729 /nfs/dbraw/zinc/89/07/29/896890729.db2.gz YMFIWSVJNVVFAP-QRQLOZEOSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000567121089 896890749 /nfs/dbraw/zinc/89/07/49/896890749.db2.gz YMFIWSVJNVVFAP-QRQLOZEOSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000567121089 896890769 /nfs/dbraw/zinc/89/07/69/896890769.db2.gz YMFIWSVJNVVFAP-QRQLOZEOSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263053 896987408 /nfs/dbraw/zinc/98/74/08/896987408.db2.gz BXUCHBWRLWFPQH-GGAORHGYSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263053 896987424 /nfs/dbraw/zinc/98/74/24/896987424.db2.gz BXUCHBWRLWFPQH-GGAORHGYSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001136263053 896987438 /nfs/dbraw/zinc/98/74/38/896987438.db2.gz BXUCHBWRLWFPQH-GGAORHGYSA-N 2 1 397.607 3.917 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567390121 897110204 /nfs/dbraw/zinc/11/02/04/897110204.db2.gz DKUOGSLMQFRPIG-SSZFMOIBSA-N 2 1 397.485 3.641 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc4oc(=O)oc4c3)cc2)CC1 ZINC000883067316 897246486 /nfs/dbraw/zinc/24/64/86/897246486.db2.gz CTWBQJXLMMVAOO-UHFFFAOYSA-N 2 1 381.476 3.776 20 0 GHADMP O=c1[nH]c2ccccc2cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001137185241 897317523 /nfs/dbraw/zinc/31/75/23/897317523.db2.gz KWRWAJIGLRSKIE-UHFFFAOYSA-N 2 1 388.515 3.824 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC4(CCOCC4)CO2)C3)cc1 ZINC000883263601 897418763 /nfs/dbraw/zinc/41/87/63/897418763.db2.gz ZQEFAMBOHQFKMI-GPJHCHHRSA-N 2 1 384.564 3.747 20 0 GHADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OCC ZINC000567870968 897464509 /nfs/dbraw/zinc/46/45/09/897464509.db2.gz BZNABUKYENHLCB-QGZVFWFLSA-N 2 1 396.959 3.715 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OCC ZINC000567870968 897464516 /nfs/dbraw/zinc/46/45/16/897464516.db2.gz BZNABUKYENHLCB-QGZVFWFLSA-N 2 1 396.959 3.715 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000883436335 897581470 /nfs/dbraw/zinc/58/14/70/897581470.db2.gz PZAOZKVFWXQODL-QPPBQGQZSA-N 2 1 394.563 3.976 20 0 GHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)Cc1ccsc1 ZINC000568208845 897674398 /nfs/dbraw/zinc/67/43/98/897674398.db2.gz GWBDLOOILYLWHO-SFHVURJKSA-N 2 1 391.625 3.724 20 0 GHADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC001136465192 897973627 /nfs/dbraw/zinc/97/36/27/897973627.db2.gz GZHKBGLGRMPKJA-SFHVURJKSA-N 2 1 382.552 3.540 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC001136465192 897973637 /nfs/dbraw/zinc/97/36/37/897973637.db2.gz GZHKBGLGRMPKJA-SFHVURJKSA-N 2 1 382.552 3.540 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC001136465192 897973646 /nfs/dbraw/zinc/97/36/46/897973646.db2.gz GZHKBGLGRMPKJA-SFHVURJKSA-N 2 1 382.552 3.540 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC001136465192 897973657 /nfs/dbraw/zinc/97/36/57/897973657.db2.gz GZHKBGLGRMPKJA-SFHVURJKSA-N 2 1 382.552 3.540 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568630473 897995557 /nfs/dbraw/zinc/99/55/57/897995557.db2.gz WHNQAFVNQYXQSG-FYYLOGMGSA-N 2 1 380.532 3.906 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568630473 897995569 /nfs/dbraw/zinc/99/55/69/897995569.db2.gz WHNQAFVNQYXQSG-FYYLOGMGSA-N 2 1 380.532 3.906 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@H]5CCCC[C@H]5[NH2+]4)n3)cc2F)CC1 ZINC000822950881 898749114 /nfs/dbraw/zinc/74/91/14/898749114.db2.gz FARKEQPKWLXROV-LZQZEXGQSA-N 2 1 399.514 3.611 20 0 GHADMP O=C(CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000569767038 898936391 /nfs/dbraw/zinc/93/63/91/898936391.db2.gz MQGGKGJFMYQOQB-INIZCTEOSA-N 2 1 379.342 3.830 20 0 GHADMP O=C(CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000569767038 898936400 /nfs/dbraw/zinc/93/64/00/898936400.db2.gz MQGGKGJFMYQOQB-INIZCTEOSA-N 2 1 379.342 3.830 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@@H]([C@@H](C)[NH3+])C4)cc3)nc12 ZINC000569926907 899028390 /nfs/dbraw/zinc/02/83/90/899028390.db2.gz HPQLUIWRKRRAKU-UYAOXDASSA-N 2 1 378.520 3.781 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476913 899050675 /nfs/dbraw/zinc/05/06/75/899050675.db2.gz CZDSRPRZOHAFMF-MISYRCLQSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476913 899050689 /nfs/dbraw/zinc/05/06/89/899050689.db2.gz CZDSRPRZOHAFMF-MISYRCLQSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476913 899050704 /nfs/dbraw/zinc/05/07/04/899050704.db2.gz CZDSRPRZOHAFMF-MISYRCLQSA-N 2 1 379.589 3.686 20 0 GHADMP CC(C)(C)OC(=O)C1([NH2+][C@@H]2CCc3c(Cl)cccc3C2)CCC([NH3+])CC1 ZINC001171018620 899054326 /nfs/dbraw/zinc/05/43/26/899054326.db2.gz UUSVNQNHUSNZEQ-ZGOJQLDESA-N 2 1 378.944 3.769 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823666297 899175732 /nfs/dbraw/zinc/17/57/32/899175732.db2.gz JJBJIBIVSBEFOX-RDPSFJRHSA-N 2 1 399.579 3.806 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1)C1CC1 ZINC001202684923 899263286 /nfs/dbraw/zinc/26/32/86/899263286.db2.gz UZGRDLRWISTORJ-UHFFFAOYSA-N 2 1 377.330 3.803 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000570570945 899398820 /nfs/dbraw/zinc/39/88/20/899398820.db2.gz UMXFUNAMYHWGNH-SQNIBIBYSA-N 2 1 390.597 3.519 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000570590089 899413880 /nfs/dbraw/zinc/41/38/80/899413880.db2.gz KBAPABZXYQUKOO-XPWALMASSA-N 2 1 383.580 3.573 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000570622715 899449307 /nfs/dbraw/zinc/44/93/07/899449307.db2.gz JKYAIKGNJSYWEV-RQXXJAGISA-N 2 1 395.551 3.613 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000570622715 899449318 /nfs/dbraw/zinc/44/93/18/899449318.db2.gz JKYAIKGNJSYWEV-RQXXJAGISA-N 2 1 395.551 3.613 20 0 GHADMP C[C@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824936683 899896812 /nfs/dbraw/zinc/89/68/12/899896812.db2.gz LFWHDEGWLVOAHC-HKUYNNGSSA-N 2 1 382.556 3.637 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cs2)cc1 ZINC000571646218 899934519 /nfs/dbraw/zinc/93/45/19/899934519.db2.gz OLKJGFAKDQFCQH-XLIONFOSSA-N 2 1 386.565 3.913 20 0 GHADMP c1[nH+]c(C2CCN(Cc3nc(Cc4ccccc4)no3)CC2)n2c1CCCC2 ZINC000333107847 899969005 /nfs/dbraw/zinc/96/90/05/899969005.db2.gz DWKWLLCWIWRTQG-UHFFFAOYSA-N 2 1 377.492 3.573 20 0 GHADMP FC(F)(F)c1c[nH]c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001137022180 900101312 /nfs/dbraw/zinc/10/13/12/900101312.db2.gz VBSGWJVFBYSPCB-DLBZAZTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001137022180 900101324 /nfs/dbraw/zinc/10/13/24/900101324.db2.gz VBSGWJVFBYSPCB-DLBZAZTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001137022180 900101336 /nfs/dbraw/zinc/10/13/36/900101336.db2.gz VBSGWJVFBYSPCB-DLBZAZTESA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001137022180 900101350 /nfs/dbraw/zinc/10/13/50/900101350.db2.gz VBSGWJVFBYSPCB-DLBZAZTESA-N 2 1 378.442 3.773 20 0 GHADMP Cc1ccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c(C[NH+]2CCOCC2)c1 ZINC001171099860 900482039 /nfs/dbraw/zinc/48/20/39/900482039.db2.gz QJHWBFSNMYKGLW-LJQANCHMSA-N 2 1 375.516 3.587 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000573845777 900662713 /nfs/dbraw/zinc/66/27/13/900662713.db2.gz SMYBEVXTMSTXNL-INIZCTEOSA-N 2 1 379.342 3.548 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328868 900701536 /nfs/dbraw/zinc/70/15/36/900701536.db2.gz ZKEUPRLQICTRJC-UWJYYQICSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328868 900701538 /nfs/dbraw/zinc/70/15/38/900701538.db2.gz ZKEUPRLQICTRJC-UWJYYQICSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328868 900701543 /nfs/dbraw/zinc/70/15/43/900701543.db2.gz ZKEUPRLQICTRJC-UWJYYQICSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)c3ccc(F)cc3C)C2)s1 ZINC000844328868 900701548 /nfs/dbraw/zinc/70/15/48/900701548.db2.gz ZKEUPRLQICTRJC-UWJYYQICSA-N 2 1 376.541 3.991 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399741 900796345 /nfs/dbraw/zinc/79/63/45/900796345.db2.gz GDQNXWATPNHOMJ-HKUYNNGSSA-N 2 1 378.561 3.987 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399741 900796349 /nfs/dbraw/zinc/79/63/49/900796349.db2.gz GDQNXWATPNHOMJ-HKUYNNGSSA-N 2 1 378.561 3.987 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886490130 901071430 /nfs/dbraw/zinc/07/14/30/901071430.db2.gz ZTBGDMGVGZTLKV-BDTNDASRSA-N 2 1 377.532 3.885 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886490130 901071443 /nfs/dbraw/zinc/07/14/43/901071443.db2.gz ZTBGDMGVGZTLKV-BDTNDASRSA-N 2 1 377.532 3.885 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(O)c1C)CC2 ZINC001144111986 901075395 /nfs/dbraw/zinc/07/53/95/901075395.db2.gz GVBMJKHECKMGAV-QFIPXVFZSA-N 2 1 395.547 3.599 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000886504170 901091544 /nfs/dbraw/zinc/09/15/44/901091544.db2.gz TYRSVZCBKUPCBF-YLJYHZDGSA-N 2 1 396.535 3.526 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](c3cnn(C)c3)C(C)C)CC2)cs1 ZINC000886526600 901125123 /nfs/dbraw/zinc/12/51/23/901125123.db2.gz OHFFVPGWCLGRJF-FQEVSTJZSA-N 2 1 375.586 3.638 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)CO[C@@H]3CCCc4ccccc43)CC2)[nH+]c1C ZINC000886667491 901215738 /nfs/dbraw/zinc/21/57/38/901215738.db2.gz BNPBOIUHCZPXNL-IFMALSPDSA-N 2 1 383.536 3.661 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886816696 901285331 /nfs/dbraw/zinc/28/53/31/901285331.db2.gz XPSYMWSKZVJRQS-HGFHHRSMSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@@H]([C@H]3CCCO3)C2)C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886816696 901285343 /nfs/dbraw/zinc/28/53/43/901285343.db2.gz XPSYMWSKZVJRQS-HGFHHRSMSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@@H]([C@H]3CCCO3)C2)C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886816696 901285350 /nfs/dbraw/zinc/28/53/50/901285350.db2.gz XPSYMWSKZVJRQS-HGFHHRSMSA-N 2 1 398.591 3.772 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(Br)c1 ZINC000575857043 901394622 /nfs/dbraw/zinc/39/46/22/901394622.db2.gz HJMWYMDUEAAISJ-UHFFFAOYSA-N 2 1 392.341 3.773 20 0 GHADMP CCC[C@@H]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000576001916 901575746 /nfs/dbraw/zinc/57/57/46/901575746.db2.gz MGLMSHOUHCAWQW-TZIWHRDSSA-N 2 1 377.617 3.905 20 0 GHADMP c1ncn(-c2ccc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000576077682 901655743 /nfs/dbraw/zinc/65/57/43/901655743.db2.gz ZEGADULMISQQNM-JOCHJYFZSA-N 2 1 375.520 3.659 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001144321346 901729228 /nfs/dbraw/zinc/72/92/28/901729228.db2.gz IKSYSSSKKISRMN-QHCPKHFHSA-N 2 1 379.548 3.900 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc(-c4c(F)cccc4F)cs3)CC2)C1 ZINC000576376440 901981806 /nfs/dbraw/zinc/98/18/06/901981806.db2.gz JOKORCCMMGLNMK-KDOFPFPSSA-N 2 1 393.503 3.807 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000576605839 902125240 /nfs/dbraw/zinc/12/52/40/902125240.db2.gz YCPWCXDBOBKZAP-SXLOBPIMSA-N 2 1 392.971 3.859 20 0 GHADMP CC(C)CO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@@H](OCC(C)C)C3)c2)C1 ZINC000576670984 902177604 /nfs/dbraw/zinc/17/76/04/902177604.db2.gz YYGDOTCPSWRYAO-DHIUTWEWSA-N 2 1 389.584 3.575 20 0 GHADMP CC(C)CO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@@H](OCC(C)C)C3)c2)C1 ZINC000576670984 902177614 /nfs/dbraw/zinc/17/76/14/902177614.db2.gz YYGDOTCPSWRYAO-DHIUTWEWSA-N 2 1 389.584 3.575 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC001144450980 902210622 /nfs/dbraw/zinc/21/06/22/902210622.db2.gz KMMADQVJMAENBR-NHCUHLMSSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC001144450980 902210632 /nfs/dbraw/zinc/21/06/32/902210632.db2.gz KMMADQVJMAENBR-NHCUHLMSSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC001144450980 902210641 /nfs/dbraw/zinc/21/06/41/902210641.db2.gz KMMADQVJMAENBR-NHCUHLMSSA-N 2 1 396.506 3.956 20 0 GHADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000576755942 902239851 /nfs/dbraw/zinc/23/98/51/902239851.db2.gz CFXVININVJWAAN-ZLNRFVROSA-N 2 1 377.532 3.508 20 0 GHADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)NCc1ccccc1 ZINC000576998619 902419997 /nfs/dbraw/zinc/41/99/97/902419997.db2.gz LCFKHWPXXMLEHG-BVVFMGSASA-N 2 1 379.548 3.724 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000577055113 902471727 /nfs/dbraw/zinc/47/17/27/902471727.db2.gz IOAGAYIUJMVXGK-NNMXDRDESA-N 2 1 388.577 3.777 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000577055113 902471731 /nfs/dbraw/zinc/47/17/31/902471731.db2.gz IOAGAYIUJMVXGK-NNMXDRDESA-N 2 1 388.577 3.777 20 0 GHADMP C[C@@H]([NH2+]CCc1csc(N2CCCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577211665 902593409 /nfs/dbraw/zinc/59/34/09/902593409.db2.gz JJPBDFMZJYAZDK-UYAOXDASSA-N 2 1 384.593 3.786 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000577377287 902725032 /nfs/dbraw/zinc/72/50/32/902725032.db2.gz GQRGUXMWCXRHLT-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846227270 902802769 /nfs/dbraw/zinc/80/27/69/902802769.db2.gz LYTCPMCGMMPWSL-NSISKUIASA-N 2 1 388.943 3.695 20 0 GHADMP CCCOc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000577561887 902888364 /nfs/dbraw/zinc/88/83/64/902888364.db2.gz HXEIWGYEMHSONP-WOJBJXKFSA-N 2 1 390.568 3.566 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccnc2Cl)cc1OC ZINC000264358492 903044192 /nfs/dbraw/zinc/04/41/92/903044192.db2.gz HILWEOVKDSQMFO-UHFFFAOYSA-N 2 1 377.916 3.754 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749254 903153050 /nfs/dbraw/zinc/15/30/50/903153050.db2.gz VBSOMYWIEQHTET-YTFSRNRJSA-N 2 1 377.532 3.590 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000772955117 903228348 /nfs/dbraw/zinc/22/83/48/903228348.db2.gz DHQJGNTWBUOWQY-FQEVSTJZSA-N 2 1 396.579 3.529 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000772955117 903228369 /nfs/dbraw/zinc/22/83/69/903228369.db2.gz DHQJGNTWBUOWQY-FQEVSTJZSA-N 2 1 396.579 3.529 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cnn1-c1cc(C)ccc1C ZINC000132769841 903306575 /nfs/dbraw/zinc/30/65/75/903306575.db2.gz UVZZUDNWMHKZJV-PZJWPPBQSA-N 2 1 396.579 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000779043615 903438267 /nfs/dbraw/zinc/43/82/67/903438267.db2.gz ONTLBAMHFCOGDC-MSOLQXFVSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000779043615 903438275 /nfs/dbraw/zinc/43/82/75/903438275.db2.gz ONTLBAMHFCOGDC-MSOLQXFVSA-N 2 1 393.597 3.949 20 0 GHADMP CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)CC1 ZINC001146787400 903609997 /nfs/dbraw/zinc/60/99/97/903609997.db2.gz SOXFEWYPCAHGGQ-OAQYLSRUSA-N 2 1 377.532 3.934 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000578277338 903682983 /nfs/dbraw/zinc/68/29/83/903682983.db2.gz YLXPMSVZMBUDJT-XCTGESOMSA-N 2 1 397.485 3.641 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000578277338 903682988 /nfs/dbraw/zinc/68/29/88/903682988.db2.gz YLXPMSVZMBUDJT-XCTGESOMSA-N 2 1 397.485 3.641 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000578408607 903815449 /nfs/dbraw/zinc/81/54/49/903815449.db2.gz GGZOLUACFYFRBZ-VQIMIIECSA-N 2 1 380.964 3.505 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000578572527 903973467 /nfs/dbraw/zinc/97/34/67/903973467.db2.gz ONBZHUQRKGNSSZ-KRWDZBQOSA-N 2 1 376.932 3.512 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000646682283 914771698 /nfs/dbraw/zinc/77/16/98/914771698.db2.gz REXRRHPQYRNDRX-XJUOHMSHSA-N 2 1 385.596 3.740 20 0 GHADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000578920024 904224580 /nfs/dbraw/zinc/22/45/80/904224580.db2.gz RVEFEQROXZJXHU-GHTZIAJQSA-N 2 1 398.547 3.755 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000773093311 904426615 /nfs/dbraw/zinc/42/66/15/904426615.db2.gz CTKNRPQOJKKAMC-QGZVFWFLSA-N 2 1 393.547 3.583 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)C1 ZINC000646739569 914813891 /nfs/dbraw/zinc/81/38/91/914813891.db2.gz SJSGTQZXRMFWTF-CALCHBBNSA-N 2 1 396.579 3.642 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000646739569 914813909 /nfs/dbraw/zinc/81/39/09/914813909.db2.gz SJSGTQZXRMFWTF-CALCHBBNSA-N 2 1 396.579 3.642 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000646739569 914813921 /nfs/dbraw/zinc/81/39/21/914813921.db2.gz SJSGTQZXRMFWTF-CALCHBBNSA-N 2 1 396.579 3.642 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000646739569 914813939 /nfs/dbraw/zinc/81/39/39/914813939.db2.gz SJSGTQZXRMFWTF-CALCHBBNSA-N 2 1 396.579 3.642 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000646739569 914813952 /nfs/dbraw/zinc/81/39/52/914813952.db2.gz SJSGTQZXRMFWTF-CALCHBBNSA-N 2 1 396.579 3.642 20 0 GHADMP Fc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001171408182 904527331 /nfs/dbraw/zinc/52/73/31/904527331.db2.gz KVYXNMMBVKAZPJ-FKBYEOEOSA-N 2 1 385.571 3.611 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638531 904695470 /nfs/dbraw/zinc/69/54/70/904695470.db2.gz PJOYUXRPKFTVOX-ITBHCLRTSA-N 2 1 399.579 3.932 20 0 GHADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000579655880 904778056 /nfs/dbraw/zinc/77/80/56/904778056.db2.gz NAVSTBDCEVAUEJ-DHIUTWEWSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000579655880 904778067 /nfs/dbraw/zinc/77/80/67/904778067.db2.gz NAVSTBDCEVAUEJ-DHIUTWEWSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000579655880 904778078 /nfs/dbraw/zinc/77/80/78/904778078.db2.gz NAVSTBDCEVAUEJ-DHIUTWEWSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000579655880 904778085 /nfs/dbraw/zinc/77/80/85/904778085.db2.gz NAVSTBDCEVAUEJ-DHIUTWEWSA-N 2 1 378.564 3.880 20 0 GHADMP Cc1cccc2c1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OCc1ccccc1)C2 ZINC001171557278 904827802 /nfs/dbraw/zinc/82/78/02/904827802.db2.gz SSMIOOYBRQOZOI-GGAORHGYSA-N 2 1 380.532 3.683 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CC(C)(C)[NH+](C)C(C)(C)C1)[C@@H]2C ZINC001171638024 904926435 /nfs/dbraw/zinc/92/64/35/904926435.db2.gz PROWUZJOPLDGCP-QGZVFWFLSA-N 2 1 375.605 3.751 20 0 GHADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001171730363 904956857 /nfs/dbraw/zinc/95/68/57/904956857.db2.gz XUHFDCYHIDMDMJ-FXAWDEMLSA-N 2 1 394.519 3.535 20 0 GHADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171760828 904994738 /nfs/dbraw/zinc/99/47/38/904994738.db2.gz AQSVTEDXLKNSNE-NEWSRXKRSA-N 2 1 384.593 3.721 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171762686 904999614 /nfs/dbraw/zinc/99/96/14/904999614.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762686 904999619 /nfs/dbraw/zinc/99/96/19/904999619.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762686 904999625 /nfs/dbraw/zinc/99/96/25/904999625.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762686 904999632 /nfs/dbraw/zinc/99/96/32/904999632.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762686 904999639 /nfs/dbraw/zinc/99/96/39/904999639.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762686 904999643 /nfs/dbraw/zinc/99/96/43/904999643.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762686 904999647 /nfs/dbraw/zinc/99/96/47/904999647.db2.gz LHXHGGXOHQUSHQ-GATIMQMVSA-N 2 1 375.560 3.713 20 0 GHADMP COC(=O)c1ccc2c(c1)c(C[NH3+])cn2[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171734911 905017369 /nfs/dbraw/zinc/01/73/69/905017369.db2.gz RIIYWYHSLBTVEZ-UZLBHIALSA-N 2 1 377.488 3.722 20 0 GHADMP COc1ccccc1CC1([NH3+])CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171738776 905024467 /nfs/dbraw/zinc/02/44/67/905024467.db2.gz NOMBRDAVRRKGDT-OFNKIYASSA-N 2 1 393.575 3.694 20 0 GHADMP COc1cccc(CC2([NH3+])CCN([C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171740643 905029906 /nfs/dbraw/zinc/02/99/06/905029906.db2.gz TUUNQEWBLJUHFJ-REWPJTCUSA-N 2 1 393.575 3.694 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000796345087 914875718 /nfs/dbraw/zinc/87/57/18/914875718.db2.gz ZTPBXKMIIGKVJK-HMXCVIKNSA-N 2 1 384.593 3.595 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000796345087 914875734 /nfs/dbraw/zinc/87/57/34/914875734.db2.gz ZTPBXKMIIGKVJK-HMXCVIKNSA-N 2 1 384.593 3.595 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001171860008 905107384 /nfs/dbraw/zinc/10/73/84/905107384.db2.gz FWOKNFMCWLKUBS-HSZRJFAPSA-N 2 1 391.559 3.936 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171865309 905112900 /nfs/dbraw/zinc/11/29/00/905112900.db2.gz AYTAVPGASSCZHU-UPVQGACJSA-N 2 1 391.559 3.793 20 0 GHADMP Brc1ccc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001171995078 905206561 /nfs/dbraw/zinc/20/65/61/905206561.db2.gz PWDSTUDLRSDTAZ-UHFFFAOYSA-N 2 1 378.358 3.634 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2cccc(OC3COC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001171972839 905219189 /nfs/dbraw/zinc/21/91/89/905219189.db2.gz SXVWKTQNTZEKHK-NRFANRHFSA-N 2 1 380.532 3.997 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CCCN(C(=O)C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977194 905223413 /nfs/dbraw/zinc/22/34/13/905223413.db2.gz YDIZZGDZEGPMEL-ROUUACIJSA-N 2 1 397.485 3.573 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CCN(c3ncccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979515 905228598 /nfs/dbraw/zinc/22/85/98/905228598.db2.gz LKGSRDYIVIWYOL-JOCHJYFZSA-N 2 1 393.579 3.726 20 0 GHADMP CC[C@H]1[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981767 905235620 /nfs/dbraw/zinc/23/56/20/905235620.db2.gz PZZQIFYMRDZGTE-LGVFNWMJSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@H]1[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981767 905235633 /nfs/dbraw/zinc/23/56/33/905235633.db2.gz PZZQIFYMRDZGTE-LGVFNWMJSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@H]1[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981767 905235647 /nfs/dbraw/zinc/23/56/47/905235647.db2.gz PZZQIFYMRDZGTE-LGVFNWMJSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@H]1[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981767 905235660 /nfs/dbraw/zinc/23/56/60/905235660.db2.gz PZZQIFYMRDZGTE-LGVFNWMJSA-N 2 1 383.580 3.953 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001171983211 905238992 /nfs/dbraw/zinc/23/89/92/905238992.db2.gz NMNOTQLQUSGSHH-RBBKRZOGSA-N 2 1 377.532 3.973 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)CC[N@H+]1Cc1ccccc1 ZINC001171983211 905239009 /nfs/dbraw/zinc/23/90/09/905239009.db2.gz NMNOTQLQUSGSHH-RBBKRZOGSA-N 2 1 377.532 3.973 20 0 GHADMP Cc1cc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001171985030 905240810 /nfs/dbraw/zinc/24/08/10/905240810.db2.gz QQCFYCURTJMJSM-JOCHJYFZSA-N 2 1 393.579 3.659 20 0 GHADMP Cc1cc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001171985030 905240818 /nfs/dbraw/zinc/24/08/18/905240818.db2.gz QQCFYCURTJMJSM-JOCHJYFZSA-N 2 1 393.579 3.659 20 0 GHADMP O=C1Cc2cc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccc2N1 ZINC001172071667 905273794 /nfs/dbraw/zinc/27/37/94/905273794.db2.gz YCPMGFJFDKFRNK-DKUWSORSSA-N 2 1 375.516 3.857 20 0 GHADMP O=C(N1CCCC1)C12CC(C1)C[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172071228 905274328 /nfs/dbraw/zinc/27/43/28/905274328.db2.gz DDVJHVGOOFOHGG-GEWCGLOWSA-N 2 1 393.575 3.659 20 0 GHADMP O=C(N1CCCC1)C12CC(C1)C[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172071228 905274345 /nfs/dbraw/zinc/27/43/45/905274345.db2.gz DDVJHVGOOFOHGG-GEWCGLOWSA-N 2 1 393.575 3.659 20 0 GHADMP O=C(N1CCCC1)C12CC(C1)C[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071228 905274354 /nfs/dbraw/zinc/27/43/54/905274354.db2.gz DDVJHVGOOFOHGG-GEWCGLOWSA-N 2 1 393.575 3.659 20 0 GHADMP O=C(N1CCCC1)C12CC(C1)C[NH+]2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172071228 905274366 /nfs/dbraw/zinc/27/43/66/905274366.db2.gz DDVJHVGOOFOHGG-GEWCGLOWSA-N 2 1 393.575 3.659 20 0 GHADMP COc1ccc(C[C@@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172072904 905276646 /nfs/dbraw/zinc/27/66/46/905276646.db2.gz NWKALNYFPKUVOQ-NEWJYFPISA-N 2 1 394.559 3.774 20 0 GHADMP CCNC(=O)OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172082722 905297197 /nfs/dbraw/zinc/29/71/97/905297197.db2.gz LDMPEMWHSJMWAN-AERCQKQUSA-N 2 1 385.552 3.783 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090996 905310816 /nfs/dbraw/zinc/31/08/16/905310816.db2.gz ZLIGXSIUQPVNBD-KAOXLYBCSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090996 905310833 /nfs/dbraw/zinc/31/08/33/905310833.db2.gz ZLIGXSIUQPVNBD-KAOXLYBCSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090996 905310851 /nfs/dbraw/zinc/31/08/51/905310851.db2.gz ZLIGXSIUQPVNBD-KAOXLYBCSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090996 905310870 /nfs/dbraw/zinc/31/08/70/905310870.db2.gz ZLIGXSIUQPVNBD-KAOXLYBCSA-N 2 1 392.547 3.906 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172098135 905320362 /nfs/dbraw/zinc/32/03/62/905320362.db2.gz AHFKZCKPNDXNCB-WAPOTWQKSA-N 2 1 379.589 3.875 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3cccc(Cl)c3)CC1)C2 ZINC001172112360 905358200 /nfs/dbraw/zinc/35/82/00/905358200.db2.gz VSVCGWNFTNPROB-YXOJAJARSA-N 2 1 389.971 3.986 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3cccc(Cl)c3)CC1)C2 ZINC001172112360 905358214 /nfs/dbraw/zinc/35/82/14/905358214.db2.gz VSVCGWNFTNPROB-YXOJAJARSA-N 2 1 389.971 3.986 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001172113933 905364186 /nfs/dbraw/zinc/36/41/86/905364186.db2.gz KXGXNUJGSYPROZ-BWTSREIZSA-N 2 1 381.486 3.971 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3Br)C1)C2 ZINC001172116074 905365353 /nfs/dbraw/zinc/36/53/53/905365353.db2.gz XOJJRHPTNRXLSU-CADBVGFASA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(Cc3ccccc3Br)C1)C2 ZINC001172116074 905365367 /nfs/dbraw/zinc/36/53/67/905365367.db2.gz XOJJRHPTNRXLSU-CADBVGFASA-N 2 1 392.385 3.628 20 0 GHADMP COCCCN1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001172245873 905444191 /nfs/dbraw/zinc/44/41/91/905444191.db2.gz CFXXKOJHJVLCMS-BRLSKQCNSA-N 2 1 385.596 3.615 20 0 GHADMP COCCC[NH+]1CCC([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001172245873 905444205 /nfs/dbraw/zinc/44/42/05/905444205.db2.gz CFXXKOJHJVLCMS-BRLSKQCNSA-N 3 1 385.596 3.615 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001172245873 905444211 /nfs/dbraw/zinc/44/42/11/905444211.db2.gz CFXXKOJHJVLCMS-BRLSKQCNSA-N 3 1 385.596 3.615 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC3(CC2)OCc2ccc(Cl)cc23)CC1 ZINC001172253391 905448395 /nfs/dbraw/zinc/44/83/95/905448395.db2.gz OABSTPXZQUDMOP-UHFFFAOYSA-N 2 1 378.944 3.662 20 0 GHADMP CC(C)OCC[C@@H](C)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001172458669 905575598 /nfs/dbraw/zinc/57/55/98/905575598.db2.gz FLMWRHCZIJGZJE-GOSISDBHSA-N 2 1 397.604 3.644 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H](n3c[nH+]cc3C3CC[NH2+]CC3)CC[C@H]2C1 ZINC001172531705 905594585 /nfs/dbraw/zinc/59/45/85/905594585.db2.gz OPJLIKLGPNXGIA-FKBYEOEOSA-N 2 1 392.547 3.854 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000175768898 905662745 /nfs/dbraw/zinc/66/27/45/905662745.db2.gz IIOUIURGXKPIOR-UHFFFAOYSA-N 2 1 390.597 3.621 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639877 905702485 /nfs/dbraw/zinc/70/24/85/905702485.db2.gz GUXNAFBBKBXQHZ-FUMNGEBKSA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639877 905702492 /nfs/dbraw/zinc/70/24/92/905702492.db2.gz GUXNAFBBKBXQHZ-FUMNGEBKSA-N 2 1 379.589 3.828 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001172639877 905702496 /nfs/dbraw/zinc/70/24/96/905702496.db2.gz GUXNAFBBKBXQHZ-FUMNGEBKSA-N 2 1 379.589 3.828 20 0 GHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172671964 905755240 /nfs/dbraw/zinc/75/52/40/905755240.db2.gz ZFUSVOOAOOEVGI-XMMPIXPASA-N 2 1 391.559 3.774 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000627794899 905755407 /nfs/dbraw/zinc/75/54/07/905755407.db2.gz WFUCUIJKGJOPIJ-FGZHOGPDSA-N 2 1 383.580 3.589 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000627794899 905755415 /nfs/dbraw/zinc/75/54/15/905755415.db2.gz WFUCUIJKGJOPIJ-FGZHOGPDSA-N 2 1 383.580 3.589 20 0 GHADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172844017 905896898 /nfs/dbraw/zinc/89/68/98/905896898.db2.gz GEVVMSZHJJSMRX-QGZVFWFLSA-N 2 1 389.946 3.947 20 0 GHADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001172846621 905900945 /nfs/dbraw/zinc/90/09/45/905900945.db2.gz WEDPKMVZBBNEJD-QGZVFWFLSA-N 2 1 389.946 3.947 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172942688 906011774 /nfs/dbraw/zinc/01/17/74/906011774.db2.gz AXYBAZWLJYHMQS-ICSRJNTNSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172945587 906015227 /nfs/dbraw/zinc/01/52/27/906015227.db2.gz FSNJUQVJAYNBEP-SFHVURJKSA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CC1 ZINC001173109055 906194352 /nfs/dbraw/zinc/19/43/52/906194352.db2.gz FGGXTGDZVFLNOK-ZSHKSDETSA-N 2 1 399.579 3.777 20 0 GHADMP CCOC(=O)C[N@H+](Cc1ccc(OC)cc1)C1CCC([NH+](CC)CC)CC1 ZINC001173111407 906199366 /nfs/dbraw/zinc/19/93/66/906199366.db2.gz FBQCVNDEKRKXRY-UHFFFAOYSA-N 2 1 376.541 3.713 20 0 GHADMP CCOC(=O)C[N@@H+](Cc1ccc(OC)cc1)C1CCC([NH+](CC)CC)CC1 ZINC001173111407 906199372 /nfs/dbraw/zinc/19/93/72/906199372.db2.gz FBQCVNDEKRKXRY-UHFFFAOYSA-N 2 1 376.541 3.713 20 0 GHADMP COc1cccc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC001173157241 906242922 /nfs/dbraw/zinc/24/29/22/906242922.db2.gz SHZSHXRNADBZSQ-NCYKPQTJSA-N 2 1 378.516 3.784 20 0 GHADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001173243676 906333316 /nfs/dbraw/zinc/33/33/16/906333316.db2.gz CTQWWLIFCJDZOM-NIJXNBFTSA-N 2 1 393.575 3.798 20 0 GHADMP CCc1ccc(C[C@@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001173243676 906333324 /nfs/dbraw/zinc/33/33/24/906333324.db2.gz CTQWWLIFCJDZOM-NIJXNBFTSA-N 2 1 393.575 3.798 20 0 GHADMP CCc1ccc(C[C@@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001173243676 906333339 /nfs/dbraw/zinc/33/33/39/906333339.db2.gz CTQWWLIFCJDZOM-NIJXNBFTSA-N 2 1 393.575 3.798 20 0 GHADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001173263281 906345326 /nfs/dbraw/zinc/34/53/26/906345326.db2.gz VNMROMFNTJYXPK-YTFSRNRJSA-N 2 1 379.633 3.852 20 0 GHADMP CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001173263281 906345339 /nfs/dbraw/zinc/34/53/39/906345339.db2.gz VNMROMFNTJYXPK-YTFSRNRJSA-N 2 1 379.633 3.852 20 0 GHADMP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001173263281 906345346 /nfs/dbraw/zinc/34/53/46/906345346.db2.gz VNMROMFNTJYXPK-YTFSRNRJSA-N 2 1 379.633 3.852 20 0 GHADMP CCSC[C@H](C)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001173307190 906361871 /nfs/dbraw/zinc/36/18/71/906361871.db2.gz DBENVUGKLBGXNT-INIZCTEOSA-N 2 1 385.618 3.582 20 0 GHADMP CC[N@@H+]1CC[C@@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC001173356631 906392967 /nfs/dbraw/zinc/39/29/67/906392967.db2.gz GQGCITZUGNLDHI-IRLDBZIGSA-N 2 1 391.515 3.521 20 0 GHADMP CC[N@H+]1CC[C@@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C1 ZINC001173356631 906392979 /nfs/dbraw/zinc/39/29/79/906392979.db2.gz GQGCITZUGNLDHI-IRLDBZIGSA-N 2 1 391.515 3.521 20 0 GHADMP COc1ccccc1C[N@H+](C1CCN(CC(F)(F)F)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173665781 906603071 /nfs/dbraw/zinc/60/30/71/906603071.db2.gz BZYJOIYXMIWCNB-IYARVYRRSA-N 2 1 399.501 3.794 20 0 GHADMP FC(F)(F)CN1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001173671981 906609347 /nfs/dbraw/zinc/60/93/47/906609347.db2.gz JCDAITCJMYFAIR-VQTJNVASSA-N 2 1 395.513 3.857 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001173671981 906609361 /nfs/dbraw/zinc/60/93/61/906609361.db2.gz JCDAITCJMYFAIR-VQTJNVASSA-N 2 1 395.513 3.857 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001173671981 906609371 /nfs/dbraw/zinc/60/93/71/906609371.db2.gz JCDAITCJMYFAIR-VQTJNVASSA-N 2 1 395.513 3.857 20 0 GHADMP COc1cc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1O ZINC000179944177 906641705 /nfs/dbraw/zinc/64/17/05/906641705.db2.gz CCNQAKDIMJZWHX-UHFFFAOYSA-N 2 1 383.536 3.563 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC001173709624 906659921 /nfs/dbraw/zinc/65/99/21/906659921.db2.gz PDTGZTOKMXDJFK-UFONIEFXSA-N 2 1 392.543 3.904 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001173718437 906669337 /nfs/dbraw/zinc/66/93/37/906669337.db2.gz ZUBDGPHOSMJYGY-LJQANCHMSA-N 2 1 380.532 3.701 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173741513 906679426 /nfs/dbraw/zinc/67/94/26/906679426.db2.gz DJWIXVGWFFIOLU-UAFMIMERSA-N 2 1 388.947 3.582 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629518211 906847827 /nfs/dbraw/zinc/84/78/27/906847827.db2.gz GHCXVZWPUKCZFT-QTLGCAHFSA-N 2 1 399.538 3.932 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000299263449 921273256 /nfs/dbraw/zinc/27/32/56/921273256.db2.gz KKKJDKOAQLLKKR-QAPCUYQASA-N 2 1 399.938 3.534 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000629602892 906895890 /nfs/dbraw/zinc/89/58/90/906895890.db2.gz XGBJNWCRONKMQM-FGZHOGPDSA-N 2 1 383.536 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000629602892 906895901 /nfs/dbraw/zinc/89/59/01/906895901.db2.gz XGBJNWCRONKMQM-FGZHOGPDSA-N 2 1 383.536 3.826 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000629653689 906931281 /nfs/dbraw/zinc/93/12/81/906931281.db2.gz FOGWSLSICRLGTO-ZBFHGGJFSA-N 2 1 392.425 3.792 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000629653689 906931291 /nfs/dbraw/zinc/93/12/91/906931291.db2.gz FOGWSLSICRLGTO-ZBFHGGJFSA-N 2 1 392.425 3.792 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](Cn2cc(-c3ccc(C[NH+]4CCC[C@@H]4C)cc3)cn2)C1 ZINC000629702349 906971672 /nfs/dbraw/zinc/97/16/72/906971672.db2.gz LWYNJUYHAXJHEH-WMZHIEFXSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@@H](Cn2cc(-c3ccc(C[N@@H+]4CCC[C@@H]4C)cc3)cn2)C1 ZINC000629702349 906971678 /nfs/dbraw/zinc/97/16/78/906971678.db2.gz LWYNJUYHAXJHEH-WMZHIEFXSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@@H](Cn2cc(-c3ccc(C[N@H+]4CCC[C@@H]4C)cc3)cn2)C1 ZINC000629702349 906971688 /nfs/dbraw/zinc/97/16/88/906971688.db2.gz LWYNJUYHAXJHEH-WMZHIEFXSA-N 2 1 382.552 3.644 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479085 907293845 /nfs/dbraw/zinc/29/38/45/907293845.db2.gz UNGULMDCFJREAB-QFIPXVFZSA-N 2 1 387.568 3.699 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479085 907293857 /nfs/dbraw/zinc/29/38/57/907293857.db2.gz UNGULMDCFJREAB-QFIPXVFZSA-N 2 1 387.568 3.699 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000779479085 907293869 /nfs/dbraw/zinc/29/38/69/907293869.db2.gz UNGULMDCFJREAB-QFIPXVFZSA-N 2 1 387.568 3.699 20 0 GHADMP CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(C)ccn1 ZINC000631578886 907765682 /nfs/dbraw/zinc/76/56/82/907765682.db2.gz BBPLDPNWPYPRNL-FGZHOGPDSA-N 2 1 394.563 3.718 20 0 GHADMP C[NH+]1CCN(C(=O)c2cccc(Nc3ccccc3C[NH+]3CCCCC3)c2)CC1 ZINC001175927873 907833891 /nfs/dbraw/zinc/83/38/91/907833891.db2.gz JVDUZTLHVUXEMV-UHFFFAOYSA-N 2 1 392.547 3.804 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC12CCOCC2 ZINC000631827904 907857742 /nfs/dbraw/zinc/85/77/42/907857742.db2.gz YXHMHCARKHBNTJ-CQSZACIVSA-N 2 1 395.425 3.548 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC12CCOCC2 ZINC000631827904 907857749 /nfs/dbraw/zinc/85/77/49/907857749.db2.gz YXHMHCARKHBNTJ-CQSZACIVSA-N 2 1 395.425 3.548 20 0 GHADMP C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000186629119 907957773 /nfs/dbraw/zinc/95/77/73/907957773.db2.gz MOVITBLSXQPGTL-HXOBKFHXSA-N 2 1 396.510 3.940 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000634123524 908614643 /nfs/dbraw/zinc/61/46/43/908614643.db2.gz PJRDLVJUTKCAJP-LJQANCHMSA-N 2 1 386.584 3.826 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCS2 ZINC000191547385 908640709 /nfs/dbraw/zinc/64/07/09/908640709.db2.gz PPPODWNLOURBMP-RXVVDRJESA-N 2 1 384.545 3.589 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)s2)cc1 ZINC001178463589 909066404 /nfs/dbraw/zinc/06/64/04/909066404.db2.gz RPUHNSXCWWZOOF-OAQYLSRUSA-N 2 1 393.556 3.975 20 0 GHADMP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257707 909444321 /nfs/dbraw/zinc/44/43/21/909444321.db2.gz GGCMTLUDCQARTO-HOTGVXAUSA-N 2 1 393.494 3.544 20 0 GHADMP CCCOc1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1OC ZINC000069171421 909504761 /nfs/dbraw/zinc/50/47/61/909504761.db2.gz CBNJVGUVBLYUDB-QFIPXVFZSA-N 2 1 397.563 3.562 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001180165201 910002958 /nfs/dbraw/zinc/00/29/58/910002958.db2.gz FDVLWDYDDPATMX-UHFFFAOYSA-N 2 1 397.510 3.622 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)ncn1 ZINC000269006652 910099486 /nfs/dbraw/zinc/09/94/86/910099486.db2.gz WFVXBVZNKHYLPK-CVDCTZTESA-N 2 1 393.579 3.508 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)ncn1 ZINC000269006652 910099499 /nfs/dbraw/zinc/09/94/99/910099499.db2.gz WFVXBVZNKHYLPK-CVDCTZTESA-N 2 1 393.579 3.508 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-n4cccn4)cc3)CC2)nc(C)[nH+]1 ZINC000269099512 910138750 /nfs/dbraw/zinc/13/87/50/910138750.db2.gz SZHCSYAWMALVSA-QGZVFWFLSA-N 2 1 376.508 3.599 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1OCCO ZINC000638396311 910144992 /nfs/dbraw/zinc/14/49/92/910144992.db2.gz JDAHNSZPAFJCPO-UNMCSNQZSA-N 2 1 396.531 3.524 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ccc1OCCO ZINC000638396311 910145000 /nfs/dbraw/zinc/14/50/00/910145000.db2.gz JDAHNSZPAFJCPO-UNMCSNQZSA-N 2 1 396.531 3.524 20 0 GHADMP C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000638398267 910146861 /nfs/dbraw/zinc/14/68/61/910146861.db2.gz KHKUYLWBXWMLHK-QGZVFWFLSA-N 2 1 393.522 3.700 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000638560822 910192195 /nfs/dbraw/zinc/19/21/95/910192195.db2.gz UTDICMJSWUXDNH-QZTJIDSGSA-N 2 1 385.474 3.518 20 0 GHADMP O=c1c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cccn1C(F)F ZINC000639194433 910347001 /nfs/dbraw/zinc/34/70/01/910347001.db2.gz CKLGYKWZLGAQPU-SFHVURJKSA-N 2 1 375.463 3.635 20 0 GHADMP O=c1c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cccn1C(F)F ZINC000639194433 910347004 /nfs/dbraw/zinc/34/70/04/910347004.db2.gz CKLGYKWZLGAQPU-SFHVURJKSA-N 2 1 375.463 3.635 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CCN1Cc1ccccc1 ZINC000246734885 910561636 /nfs/dbraw/zinc/56/16/36/910561636.db2.gz MIIRBXWCQGIREC-PTUXOGIPSA-N 2 1 393.531 3.997 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CCN1Cc1ccccc1 ZINC000246734885 910561641 /nfs/dbraw/zinc/56/16/41/910561641.db2.gz MIIRBXWCQGIREC-PTUXOGIPSA-N 2 1 393.531 3.997 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cs2)c1OC ZINC000639758607 910649582 /nfs/dbraw/zinc/64/95/82/910649582.db2.gz WCCYPIKYUDECRN-UHFFFAOYSA-N 2 1 387.549 3.745 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c2c1OC(F)(F)O2 ZINC001181526379 910818745 /nfs/dbraw/zinc/81/87/45/910818745.db2.gz XOHATIWJFBNSPK-HZPDHXFCSA-N 2 1 396.478 3.708 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000801922055 921629781 /nfs/dbraw/zinc/62/97/81/921629781.db2.gz DVIYWTWGBKWBJX-PMACEKPBSA-N 2 1 379.589 3.974 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001181995115 911116894 /nfs/dbraw/zinc/11/68/94/911116894.db2.gz NQUSRIOBLXMHRI-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP CCn1nc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c2ccccc21 ZINC000274455000 911340525 /nfs/dbraw/zinc/34/05/25/911340525.db2.gz RTHZFUJYEAPOAR-UHFFFAOYSA-N 2 1 381.524 3.663 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCCC[NH+]3CCc4ccccc4C3)c2)C1 ZINC001182338348 911506927 /nfs/dbraw/zinc/50/69/27/911506927.db2.gz DTUVIOSSOGDLIX-HSZRJFAPSA-N 2 1 391.559 3.674 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c2)C1 ZINC001182338348 911506937 /nfs/dbraw/zinc/50/69/37/911506937.db2.gz DTUVIOSSOGDLIX-HSZRJFAPSA-N 2 1 391.559 3.674 20 0 GHADMP C[NH+]1CCC[C@@H](c2cccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2)C1 ZINC001182338348 911506945 /nfs/dbraw/zinc/50/69/45/911506945.db2.gz DTUVIOSSOGDLIX-HSZRJFAPSA-N 2 1 391.559 3.674 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000366707367 921700283 /nfs/dbraw/zinc/70/02/83/921700283.db2.gz HJLHZTVRWXWEDN-IZTPNPOGSA-N 3 1 399.623 3.787 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000366707367 921700288 /nfs/dbraw/zinc/70/02/88/921700288.db2.gz HJLHZTVRWXWEDN-IZTPNPOGSA-N 2 1 399.623 3.787 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000366707367 921700300 /nfs/dbraw/zinc/70/03/00/921700300.db2.gz HJLHZTVRWXWEDN-IZTPNPOGSA-N 2 1 399.623 3.787 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816514 912062225 /nfs/dbraw/zinc/06/22/25/912062225.db2.gz UBOVCBFVQAYLLC-XMGTWHOFSA-N 2 1 397.588 3.940 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816514 912062238 /nfs/dbraw/zinc/06/22/38/912062238.db2.gz UBOVCBFVQAYLLC-XMGTWHOFSA-N 2 1 397.588 3.940 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816514 912062257 /nfs/dbraw/zinc/06/22/57/912062257.db2.gz UBOVCBFVQAYLLC-XMGTWHOFSA-N 2 1 397.588 3.940 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182855164 912081232 /nfs/dbraw/zinc/08/12/32/912081232.db2.gz NCNKHAWOSAHOJM-FYYLOGMGSA-N 2 1 381.568 3.538 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182855164 912081266 /nfs/dbraw/zinc/08/12/66/912081266.db2.gz NCNKHAWOSAHOJM-FYYLOGMGSA-N 2 1 381.568 3.538 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182855164 912081286 /nfs/dbraw/zinc/08/12/86/912081286.db2.gz NCNKHAWOSAHOJM-FYYLOGMGSA-N 2 1 381.568 3.538 20 0 GHADMP CCC(CC)(CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000290942404 914879952 /nfs/dbraw/zinc/87/99/52/914879952.db2.gz ZWFYVCJZUABAGF-FXAWDEMLSA-N 2 1 382.552 3.780 20 0 GHADMP COc1cccc2c1OC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647179110 915071297 /nfs/dbraw/zinc/07/12/97/915071297.db2.gz AAMYCGIVOABTDX-RTWAWAEBSA-N 2 1 378.516 3.786 20 0 GHADMP COc1cccc2c1OC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647179110 915071316 /nfs/dbraw/zinc/07/13/16/915071316.db2.gz AAMYCGIVOABTDX-RTWAWAEBSA-N 2 1 378.516 3.786 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192372 915079232 /nfs/dbraw/zinc/07/92/32/915079232.db2.gz CADQRUVMRNQVKE-XZOQPEGZSA-N 2 1 395.591 3.954 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192372 915079249 /nfs/dbraw/zinc/07/92/49/915079249.db2.gz CADQRUVMRNQVKE-XZOQPEGZSA-N 2 1 395.591 3.954 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000647321113 915147923 /nfs/dbraw/zinc/14/79/23/915147923.db2.gz XZGUJAMAPGRMGG-FHWLQOOXSA-N 2 1 378.582 3.656 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000647343734 915164257 /nfs/dbraw/zinc/16/42/57/915164257.db2.gz AYBUEZAUDVEHIM-DBVUQKKJSA-N 2 1 377.532 3.912 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000647343963 915164675 /nfs/dbraw/zinc/16/46/75/915164675.db2.gz GQOPYOCIPBGCAM-WGGBDISSSA-N 2 1 392.547 3.967 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344375 915167489 /nfs/dbraw/zinc/16/74/89/915167489.db2.gz PFNCKRLDXYGPHT-ZBCONREDSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344375 915167500 /nfs/dbraw/zinc/16/75/00/915167500.db2.gz PFNCKRLDXYGPHT-ZBCONREDSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344375 915167506 /nfs/dbraw/zinc/16/75/06/915167506.db2.gz PFNCKRLDXYGPHT-ZBCONREDSA-N 2 1 377.576 3.832 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001187303931 915184566 /nfs/dbraw/zinc/18/45/66/915184566.db2.gz GICUWODNSMJPQS-WBDAEOGXSA-N 2 1 377.532 3.674 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Br)c1OC ZINC000647977917 915460545 /nfs/dbraw/zinc/46/05/45/915460545.db2.gz JSYOHYMEDRXVQR-GJZGRUSLSA-N 2 1 397.357 3.678 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000648791621 915882399 /nfs/dbraw/zinc/88/23/99/915882399.db2.gz GNFNOTLHVXGIHK-ZVDOUQERSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000648791621 915882410 /nfs/dbraw/zinc/88/24/10/915882410.db2.gz GNFNOTLHVXGIHK-ZVDOUQERSA-N 2 1 382.552 3.908 20 0 GHADMP C[C@@H]1[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC000648896155 915929501 /nfs/dbraw/zinc/92/95/01/915929501.db2.gz RWJPZKWIHZFOPI-DWYIHVRCSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@@H]1[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000648896155 915929511 /nfs/dbraw/zinc/92/95/11/915929511.db2.gz RWJPZKWIHZFOPI-DWYIHVRCSA-N 2 1 389.971 3.710 20 0 GHADMP C[C@@H]1[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000648896155 915929521 /nfs/dbraw/zinc/92/95/21/915929521.db2.gz RWJPZKWIHZFOPI-DWYIHVRCSA-N 2 1 389.971 3.710 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC001189201676 916458842 /nfs/dbraw/zinc/45/88/42/916458842.db2.gz FKBKVTZGYHLFJA-UHFFFAOYSA-N 2 1 380.279 3.784 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cc2)C1 ZINC000293923510 916473642 /nfs/dbraw/zinc/47/36/42/916473642.db2.gz XMWVCUCULRJWOF-XTWGIRIWSA-N 2 1 392.609 3.612 20 0 GHADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1F ZINC001189544956 916709245 /nfs/dbraw/zinc/70/92/45/916709245.db2.gz MWQMJIIWSYKGGN-UHFFFAOYSA-N 2 1 396.388 3.586 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)ccc21 ZINC000650236913 916824736 /nfs/dbraw/zinc/82/47/36/916824736.db2.gz ODEHOUAXTVHHLS-GMAHTHKFSA-N 2 1 392.547 3.626 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)ccc21 ZINC000650236913 916824749 /nfs/dbraw/zinc/82/47/49/916824749.db2.gz ODEHOUAXTVHHLS-GMAHTHKFSA-N 2 1 392.547 3.626 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416272 916964152 /nfs/dbraw/zinc/96/41/52/916964152.db2.gz ZMSPXULOZBLHAA-FQEVSTJZSA-N 2 1 390.597 3.678 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OC ZINC000650705729 917243757 /nfs/dbraw/zinc/24/37/57/917243757.db2.gz UAGYNIGFOCYUJN-IRFCIJBXSA-N 2 1 376.541 3.592 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651678081 917692120 /nfs/dbraw/zinc/69/21/20/917692120.db2.gz AYENUQRYBHCFFB-LJQANCHMSA-N 2 1 375.520 3.932 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651678081 917692125 /nfs/dbraw/zinc/69/21/25/917692125.db2.gz AYENUQRYBHCFFB-LJQANCHMSA-N 2 1 375.520 3.932 20 0 GHADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1cccc2ccccc21 ZINC000652360700 917881126 /nfs/dbraw/zinc/88/11/26/917881126.db2.gz ODMMFOPAVLVEAJ-PMOQBDJRSA-N 2 1 395.547 3.554 20 0 GHADMP COC(=O)c1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001191380717 917942685 /nfs/dbraw/zinc/94/26/85/917942685.db2.gz ABRBHTXAPRBMDK-TZIWHRDSSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001191380717 917942707 /nfs/dbraw/zinc/94/27/07/917942707.db2.gz ABRBHTXAPRBMDK-TZIWHRDSSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001191380717 917942720 /nfs/dbraw/zinc/94/27/20/917942720.db2.gz ABRBHTXAPRBMDK-TZIWHRDSSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001191380717 917942737 /nfs/dbraw/zinc/94/27/37/917942737.db2.gz ABRBHTXAPRBMDK-TZIWHRDSSA-N 2 1 396.531 3.837 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653119480 918131734 /nfs/dbraw/zinc/13/17/34/918131734.db2.gz LEGUPBVDRBXBSX-RBUKOAKNSA-N 2 1 396.362 3.605 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000297686955 919608748 /nfs/dbraw/zinc/60/87/48/919608748.db2.gz XLBONZAGWAMASD-WMZHIEFXSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000364765596 919966026 /nfs/dbraw/zinc/96/60/26/919966026.db2.gz XVLJHBAQMMFHKC-WZONZLPQSA-N 2 1 378.520 3.801 20 0 GHADMP CC(=O)OCc1cccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000903092067 922765959 /nfs/dbraw/zinc/76/59/59/922765959.db2.gz GSYKWSLLEOMEDI-QGZVFWFLSA-N 2 1 399.535 3.917 20 0 GHADMP FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903098174 922771031 /nfs/dbraw/zinc/77/10/31/922771031.db2.gz LVGAKCFQDANRKC-DUZACMNTSA-N 2 1 377.479 3.614 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Cl)c3Br)CC2)C1 ZINC000903459085 923038745 /nfs/dbraw/zinc/03/87/45/923038745.db2.gz ATQJXZISDZBPRX-GDBMZVCRSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000903921083 923400988 /nfs/dbraw/zinc/40/09/88/923400988.db2.gz MTPZMFRPKDTXBK-FUHWJXTLSA-N 2 1 395.482 3.985 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000371116748 924434123 /nfs/dbraw/zinc/43/41/23/924434123.db2.gz HEWRMDCYTIJVGS-DYESRHJHSA-N 2 1 395.551 3.615 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000371185622 924464444 /nfs/dbraw/zinc/46/44/44/924464444.db2.gz SYNWULXAIRCQHL-AABGKKOBSA-N 2 1 389.540 3.717 20 0 GHADMP OCC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000678263652 924695336 /nfs/dbraw/zinc/69/53/36/924695336.db2.gz BMRKLPUWCQJHMN-XMMPIXPASA-N 2 1 380.532 3.643 20 0 GHADMP CC(=O)N1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC12CCCCC2 ZINC000678334986 924729554 /nfs/dbraw/zinc/72/95/54/924729554.db2.gz ZGEZISNALFSRCB-UHFFFAOYSA-N 2 1 399.579 3.528 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000409635702 924823814 /nfs/dbraw/zinc/82/38/14/924823814.db2.gz NTXKRDKLDSQSAS-LJQANCHMSA-N 2 1 379.548 3.591 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000409635702 924823824 /nfs/dbraw/zinc/82/38/24/924823824.db2.gz NTXKRDKLDSQSAS-LJQANCHMSA-N 2 1 379.548 3.591 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000409637483 924833283 /nfs/dbraw/zinc/83/32/83/924833283.db2.gz XMVWEVHGGBRLAE-LJQANCHMSA-N 2 1 379.548 3.591 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000409637483 924833291 /nfs/dbraw/zinc/83/32/91/924833291.db2.gz XMVWEVHGGBRLAE-LJQANCHMSA-N 2 1 379.548 3.591 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000409642524 924842438 /nfs/dbraw/zinc/84/24/38/924842438.db2.gz XWYJVFILILKVAW-NRFANRHFSA-N 2 1 385.939 3.855 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000678733686 924900039 /nfs/dbraw/zinc/90/00/39/924900039.db2.gz VKGBPJIZLAVZQV-JQVVWYNYSA-N 2 1 395.547 3.515 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CC[N@H+]1C ZINC000679091981 925026411 /nfs/dbraw/zinc/02/64/11/925026411.db2.gz OGMFYBMCHGIUGV-ZJSXRUAMSA-N 2 1 392.591 3.946 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cc2)nn1 ZINC001137371168 925099700 /nfs/dbraw/zinc/09/97/00/925099700.db2.gz ZMMWQLXIJACXQO-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)nn1 ZINC001137371168 925099711 /nfs/dbraw/zinc/09/97/11/925099711.db2.gz ZMMWQLXIJACXQO-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)nn1 ZINC001137371168 925099716 /nfs/dbraw/zinc/09/97/16/925099716.db2.gz ZMMWQLXIJACXQO-GOTSBHOMSA-N 2 1 387.531 3.611 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000410337439 925552781 /nfs/dbraw/zinc/55/27/81/925552781.db2.gz NQAMKVNYELIXEO-FQEVSTJZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000410351119 925564031 /nfs/dbraw/zinc/56/40/31/925564031.db2.gz DMDJTBKOOKSTKH-NZQKXSOJSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000410351121 925564046 /nfs/dbraw/zinc/56/40/46/925564046.db2.gz DMDJTBKOOKSTKH-REWPJTCUSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3([NH+](C)C)CCCC3)cc2)C1 ZINC000410350226 925565372 /nfs/dbraw/zinc/56/53/72/925565372.db2.gz INRXEKQRJZZUOF-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411271284 926266360 /nfs/dbraw/zinc/26/63/60/926266360.db2.gz QXUQENWAXPJEMT-QFIPXVFZSA-N 2 1 381.520 3.546 20 0 GHADMP O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411271284 926266364 /nfs/dbraw/zinc/26/63/64/926266364.db2.gz QXUQENWAXPJEMT-QFIPXVFZSA-N 2 1 381.520 3.546 20 0 GHADMP Cc1ccc([C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCCCC2)cc1 ZINC000682907713 926293292 /nfs/dbraw/zinc/29/32/92/926293292.db2.gz GSSDCYNJOAQOSN-DNQXCXABSA-N 2 1 385.596 3.613 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389737720 926386783 /nfs/dbraw/zinc/38/67/83/926386783.db2.gz BKROTHCTYYXENF-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411553403 926507835 /nfs/dbraw/zinc/50/78/35/926507835.db2.gz RPSGCOOPCTXPGA-QPPBQGQZSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411553403 926507849 /nfs/dbraw/zinc/50/78/49/926507849.db2.gz RPSGCOOPCTXPGA-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411553403 926507856 /nfs/dbraw/zinc/50/78/56/926507856.db2.gz RPSGCOOPCTXPGA-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411553403 926507871 /nfs/dbraw/zinc/50/78/71/926507871.db2.gz RPSGCOOPCTXPGA-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)c1ccco1 ZINC000411687486 926640789 /nfs/dbraw/zinc/64/07/89/926640789.db2.gz ABKQKHXXMCWXKN-JOCHJYFZSA-N 2 1 395.547 3.908 20 0 GHADMP O=C1N(CCn2ccnc2)CC[C@@]12CCC[N@H+](Cc1csc(Cl)c1)CC2 ZINC001276205874 927343881 /nfs/dbraw/zinc/34/38/81/927343881.db2.gz UGZUWQPGNUEGBE-IBGZPJMESA-N 2 1 392.956 3.503 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000544229020 928954761 /nfs/dbraw/zinc/95/47/61/928954761.db2.gz FZORROGBWVLWCQ-OAQYLSRUSA-N 2 1 398.595 3.828 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000467374654 929011671 /nfs/dbraw/zinc/01/16/71/929011671.db2.gz ZKYHEYMZLMPNPB-SBFWRKJZSA-N 2 1 393.575 3.889 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000467374654 929011689 /nfs/dbraw/zinc/01/16/89/929011689.db2.gz ZKYHEYMZLMPNPB-SBFWRKJZSA-N 2 1 393.575 3.889 20 0 GHADMP Cc1cc(C)c(CCNC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544421012 929156943 /nfs/dbraw/zinc/15/69/43/929156943.db2.gz OMPWIMVTQZGDSC-NHCUHLMSSA-N 2 1 385.596 3.513 20 0 GHADMP Cc1cc(C)c(CCNC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544421012 929156951 /nfs/dbraw/zinc/15/69/51/929156951.db2.gz OMPWIMVTQZGDSC-NHCUHLMSSA-N 2 1 385.596 3.513 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)oc1C ZINC000545920320 929677421 /nfs/dbraw/zinc/67/74/21/929677421.db2.gz JPIQVCVVHZCCPJ-PWRODBHTSA-N 2 1 375.557 3.688 20 0 GHADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469287807 929764191 /nfs/dbraw/zinc/76/41/91/929764191.db2.gz SBVLMJJXCQIMPL-SUMDDJOVSA-N 2 1 380.458 3.963 20 0 GHADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469287807 929764197 /nfs/dbraw/zinc/76/41/97/929764197.db2.gz SBVLMJJXCQIMPL-SUMDDJOVSA-N 2 1 380.458 3.963 20 0 GHADMP Cc1ccc2[nH+]ccc(N3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)c2c1 ZINC000546182817 929934474 /nfs/dbraw/zinc/93/44/74/929934474.db2.gz PEORWWFRZDKWQS-RTBURBONSA-N 2 1 383.536 3.638 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000469519644 929961087 /nfs/dbraw/zinc/96/10/87/929961087.db2.gz WPQFAVLRSSNKPT-VQTJNVASSA-N 2 1 380.536 3.907 20 0 GHADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000469736600 930124282 /nfs/dbraw/zinc/12/42/82/930124282.db2.gz XCTXYNBISQPVEJ-SVFBPWRDSA-N 2 1 383.561 3.522 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000469736600 930124288 /nfs/dbraw/zinc/12/42/88/930124288.db2.gz XCTXYNBISQPVEJ-SVFBPWRDSA-N 2 1 383.561 3.522 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000469736600 930124293 /nfs/dbraw/zinc/12/42/93/930124293.db2.gz XCTXYNBISQPVEJ-SVFBPWRDSA-N 2 1 383.561 3.522 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@@H]1c1cccs1 ZINC000469736600 930124299 /nfs/dbraw/zinc/12/42/99/930124299.db2.gz XCTXYNBISQPVEJ-SVFBPWRDSA-N 2 1 383.561 3.522 20 0 GHADMP C[N@@H+](CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000546722831 930381700 /nfs/dbraw/zinc/38/17/00/930381700.db2.gz PTVXPIIXEZWVLL-UHFFFAOYSA-N 2 1 375.532 3.561 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000759534230 930395460 /nfs/dbraw/zinc/39/54/60/930395460.db2.gz JPKQKDXLYKBYJZ-XABBQPORSA-N 2 1 384.568 3.528 20 0 GHADMP Cc1ccc(C(=O)CCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000546795674 930443289 /nfs/dbraw/zinc/44/32/89/930443289.db2.gz ZLTJVZDMVHPLFB-UHFFFAOYSA-N 2 1 394.519 3.524 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000780431904 930517688 /nfs/dbraw/zinc/51/76/88/930517688.db2.gz RFHANBQUGMHMPC-XMMPIXPASA-N 2 1 379.548 3.718 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000780431904 930517694 /nfs/dbraw/zinc/51/76/94/930517694.db2.gz RFHANBQUGMHMPC-XMMPIXPASA-N 2 1 379.548 3.718 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)[NH+]2CCCC2)cc1 ZINC000470733013 930866701 /nfs/dbraw/zinc/86/67/01/930866701.db2.gz MNQJBJDNVPYLAC-GMAHTHKFSA-N 2 1 398.595 3.505 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739458 930874128 /nfs/dbraw/zinc/87/41/28/930874128.db2.gz BBYXDSAVXTXUIK-UYAOXDASSA-N 2 1 392.613 3.504 20 0 GHADMP C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504537 931078942 /nfs/dbraw/zinc/07/89/42/931078942.db2.gz NDAVYEDXCZJKKM-REWPJTCUSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547504537 931078953 /nfs/dbraw/zinc/07/89/53/931078953.db2.gz NDAVYEDXCZJKKM-REWPJTCUSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504537 931078959 /nfs/dbraw/zinc/07/89/59/931078959.db2.gz NDAVYEDXCZJKKM-REWPJTCUSA-N 3 1 381.564 3.627 20 0 GHADMP C[N@@H+](Cc1cc(Cl)nc2ccccc12)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000782550704 931266694 /nfs/dbraw/zinc/26/66/94/931266694.db2.gz GDAMICMAFHSBIM-HSZRJFAPSA-N 2 1 395.934 3.957 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000557259029 931304756 /nfs/dbraw/zinc/30/47/56/931304756.db2.gz HTLVQNCAWCKYJO-WIYYLYMNSA-N 2 1 381.520 3.667 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000557259029 931304761 /nfs/dbraw/zinc/30/47/61/931304761.db2.gz HTLVQNCAWCKYJO-WIYYLYMNSA-N 2 1 381.520 3.667 20 0 GHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000925780794 931901643 /nfs/dbraw/zinc/90/16/43/931901643.db2.gz GWZZZZKLMQMTDF-FVQBIDKESA-N 2 1 389.284 3.504 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[NH+](CC)CC)cc1 ZINC000558348468 931955641 /nfs/dbraw/zinc/95/56/41/931955641.db2.gz AYLHIQZVRBKNPQ-JOCHJYFZSA-N 2 1 382.552 3.524 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccn2)cc1 ZINC000926690194 932273620 /nfs/dbraw/zinc/27/36/20/932273620.db2.gz OCPVMTDMEWRZEZ-ILBGXUMGSA-N 2 1 387.527 3.836 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c2ccccn2)cc1 ZINC000926690194 932273627 /nfs/dbraw/zinc/27/36/27/932273627.db2.gz OCPVMTDMEWRZEZ-ILBGXUMGSA-N 2 1 387.527 3.836 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926926602 932351773 /nfs/dbraw/zinc/35/17/73/932351773.db2.gz BQJKRULVQKIWJZ-BJWYYQGGSA-N 2 1 378.442 3.724 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926926602 932351781 /nfs/dbraw/zinc/35/17/81/932351781.db2.gz BQJKRULVQKIWJZ-BJWYYQGGSA-N 2 1 378.442 3.724 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777610870 932354085 /nfs/dbraw/zinc/35/40/85/932354085.db2.gz PQMPAMNCUQQFDE-RDPSFJRHSA-N 2 1 378.564 3.761 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000927127060 932425596 /nfs/dbraw/zinc/42/55/96/932425596.db2.gz QIITXFPKGIETFG-CFKGEZKQSA-N 2 1 387.568 3.684 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC[N@H+]1C ZINC000927127060 932425603 /nfs/dbraw/zinc/42/56/03/932425603.db2.gz QIITXFPKGIETFG-CFKGEZKQSA-N 2 1 387.568 3.684 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000798272992 932586105 /nfs/dbraw/zinc/58/61/05/932586105.db2.gz OBIHYDMMUVZAJS-UHFFFAOYSA-N 2 1 387.568 3.683 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000798415526 932638713 /nfs/dbraw/zinc/63/87/13/932638713.db2.gz GETJYCFSDOKBFR-OFNKIYASSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@]1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798483483 932667426 /nfs/dbraw/zinc/66/74/26/932667426.db2.gz FATQUBMKKRZDKF-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798499377 932674666 /nfs/dbraw/zinc/67/46/66/932674666.db2.gz QCPZZEPTOWLGGD-XMMPIXPASA-N 2 1 390.531 3.883 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798499377 932674671 /nfs/dbraw/zinc/67/46/71/932674671.db2.gz QCPZZEPTOWLGGD-XMMPIXPASA-N 2 1 390.531 3.883 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524834 932688016 /nfs/dbraw/zinc/68/80/16/932688016.db2.gz FJDOKSATIDRTAP-ISKFKSNPSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524834 932688017 /nfs/dbraw/zinc/68/80/17/932688017.db2.gz FJDOKSATIDRTAP-ISKFKSNPSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524834 932688019 /nfs/dbraw/zinc/68/80/19/932688019.db2.gz FJDOKSATIDRTAP-ISKFKSNPSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](c3ccc(Cl)cc3)C3CCOCC3)C2)CC1 ZINC000559774221 932846053 /nfs/dbraw/zinc/84/60/53/932846053.db2.gz NVEPAIRLQSVVRL-VXKWHMMOSA-N 2 1 391.987 3.520 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@@H](C)C1 ZINC000799139306 932886150 /nfs/dbraw/zinc/88/61/50/932886150.db2.gz NVPGMDVVBSKQMW-SIKLNZKXSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@@H](C)C1 ZINC000799139306 932886158 /nfs/dbraw/zinc/88/61/58/932886158.db2.gz NVPGMDVVBSKQMW-SIKLNZKXSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@@H](C)C1 ZINC000799139306 932886161 /nfs/dbraw/zinc/88/61/61/932886161.db2.gz NVPGMDVVBSKQMW-SIKLNZKXSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000559879217 932918942 /nfs/dbraw/zinc/91/89/42/932918942.db2.gz UJVXPJDEGPVQOP-JTSKRJEESA-N 2 1 387.543 3.874 20 0 GHADMP CN(c1ccccc1)C1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000560160457 933100101 /nfs/dbraw/zinc/10/01/01/933100101.db2.gz YHNGLTRNEXBFCP-VWLOTQADSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531008 933315364 /nfs/dbraw/zinc/31/53/64/933315364.db2.gz VYJGSRFODIGAHU-WDUKFBBWSA-N 2 1 385.533 3.813 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001116288459 933459244 /nfs/dbraw/zinc/45/92/44/933459244.db2.gz DVTGXVQJERARTH-HSZRJFAPSA-N 2 1 379.548 3.746 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561043044 933811301 /nfs/dbraw/zinc/81/13/01/933811301.db2.gz FJHWJNHWRXAZFY-FQEVSTJZSA-N 2 1 392.547 3.756 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000561160278 933926096 /nfs/dbraw/zinc/92/60/96/933926096.db2.gz CCOZDTRAGDIRJY-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000561160278 933926103 /nfs/dbraw/zinc/92/61/03/933926103.db2.gz CCOZDTRAGDIRJY-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000561160278 933926113 /nfs/dbraw/zinc/92/61/13/933926113.db2.gz CCOZDTRAGDIRJY-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC001117438646 933939024 /nfs/dbraw/zinc/93/90/24/933939024.db2.gz KDZRPJFYQMZZLW-AEMJNJESSA-N 2 1 398.526 3.562 20 0 GHADMP O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000561273679 934008318 /nfs/dbraw/zinc/00/83/18/934008318.db2.gz KWXFUNNLHVJQQK-INIZCTEOSA-N 2 1 382.483 3.827 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)c2)cc1 ZINC000561396239 934117177 /nfs/dbraw/zinc/11/71/77/934117177.db2.gz XOUXINXOTACEKH-NZQKXSOJSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2)cc1 ZINC000561396239 934117186 /nfs/dbraw/zinc/11/71/86/934117186.db2.gz XOUXINXOTACEKH-NZQKXSOJSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2)cc1 ZINC000561396239 934117189 /nfs/dbraw/zinc/11/71/89/934117189.db2.gz XOUXINXOTACEKH-NZQKXSOJSA-N 2 1 393.531 3.864 20 0 GHADMP Oc1ccc(C2CCC([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000561526496 934242218 /nfs/dbraw/zinc/24/22/18/934242218.db2.gz RUMLJMBAHBWBSF-LLAFXHEGSA-N 2 1 380.532 3.645 20 0 GHADMP Oc1ccc(C2CCC([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000561526496 934242223 /nfs/dbraw/zinc/24/22/23/934242223.db2.gz RUMLJMBAHBWBSF-LLAFXHEGSA-N 2 1 380.532 3.645 20 0 GHADMP CC(=O)NCC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001119293067 934326056 /nfs/dbraw/zinc/32/60/56/934326056.db2.gz NCMTXJZEIWVNSS-UZFOFSINSA-N 2 1 383.580 3.857 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc(OC)c1OCC(F)F ZINC001119988976 934431345 /nfs/dbraw/zinc/43/13/45/934431345.db2.gz MNCBXKIUEULFTE-YESZJQIVSA-N 2 1 398.494 3.510 20 0 GHADMP FC(F)CN1CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001120353927 934457235 /nfs/dbraw/zinc/45/72/35/934457235.db2.gz QKQHWVKTYWBSBI-DYXWJJEUSA-N 2 1 377.523 3.606 20 0 GHADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@]2(C)C1 ZINC000931306483 934496113 /nfs/dbraw/zinc/49/61/13/934496113.db2.gz GYYXPKZJHBZLGP-RJGXRXQPSA-N 2 1 397.588 3.617 20 0 GHADMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@]2(C)C1 ZINC000931306483 934496119 /nfs/dbraw/zinc/49/61/19/934496119.db2.gz GYYXPKZJHBZLGP-RJGXRXQPSA-N 2 1 397.588 3.617 20 0 GHADMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@]2(C)C1 ZINC000931306483 934496125 /nfs/dbraw/zinc/49/61/25/934496125.db2.gz GYYXPKZJHBZLGP-RJGXRXQPSA-N 2 1 397.588 3.617 20 0 GHADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@]2(C)C1 ZINC000931306483 934496131 /nfs/dbraw/zinc/49/61/31/934496131.db2.gz GYYXPKZJHBZLGP-RJGXRXQPSA-N 2 1 397.588 3.617 20 0 GHADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000562174111 934743798 /nfs/dbraw/zinc/74/37/98/934743798.db2.gz DDRPIPMOFRHIRS-VQTJNVASSA-N 2 1 386.584 3.826 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000562174111 934743804 /nfs/dbraw/zinc/74/38/04/934743804.db2.gz DDRPIPMOFRHIRS-VQTJNVASSA-N 2 1 386.584 3.826 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1F ZINC001137675973 935699753 /nfs/dbraw/zinc/69/97/53/935699753.db2.gz DYHOQMVNEZRZFW-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001625778655 1014151727 /nfs/dbraw/zinc/15/17/27/1014151727.db2.gz OQCXULUEMCQPNP-MRXNPFEDSA-N 2 1 386.367 3.616 20 0 GHADMP Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)ccc1OCC[NH+](C)C ZINC001626140285 1015034162 /nfs/dbraw/zinc/03/41/62/1015034162.db2.gz JBKOBFBMDMSMPZ-JOCHJYFZSA-N 2 1 395.547 3.929 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN(Cc2ccccc2)C1 ZINC000468513430 1015766916 /nfs/dbraw/zinc/76/69/16/1015766916.db2.gz DFCALAQMSHCQKL-JTHBVZDNSA-N 2 1 385.596 3.522 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1ccccc1 ZINC001220803174 1032127772 /nfs/dbraw/zinc/12/77/72/1032127772.db2.gz CKUNHJCTHAUREH-SQNIBIBYSA-N 2 1 385.474 3.506 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000468797437 1016044254 /nfs/dbraw/zinc/04/42/54/1016044254.db2.gz CERLUBTZYHJZJT-DZFGPLHGSA-N 2 1 394.003 3.812 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1Cl ZINC001221074764 1032268518 /nfs/dbraw/zinc/26/85/18/1032268518.db2.gz SAQAOECKVJKPKR-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)c1ccccc1 ZINC001221248431 1032347123 /nfs/dbraw/zinc/34/71/23/1032347123.db2.gz VZLUZJCKQYENDU-ILBGXUMGSA-N 2 1 391.559 3.898 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)c1ccccc1 ZINC001221248431 1032347132 /nfs/dbraw/zinc/34/71/32/1032347132.db2.gz VZLUZJCKQYENDU-ILBGXUMGSA-N 2 1 391.559 3.898 20 0 GHADMP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)c12 ZINC001155118239 1032422459 /nfs/dbraw/zinc/42/24/59/1032422459.db2.gz KOJVLYODVGBTSC-QFIPXVFZSA-N 2 1 381.499 3.990 20 0 GHADMP CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227447855 1032424274 /nfs/dbraw/zinc/42/42/74/1032424274.db2.gz WIPNAQIAXPRQSN-SFTDATJTSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001221794398 1032537418 /nfs/dbraw/zinc/53/74/18/1032537418.db2.gz LNJDIUHWTZOKAJ-CEMLEFRQSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001221794398 1032537422 /nfs/dbraw/zinc/53/74/22/1032537422.db2.gz LNJDIUHWTZOKAJ-CEMLEFRQSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001221794398 1032537428 /nfs/dbraw/zinc/53/74/28/1032537428.db2.gz LNJDIUHWTZOKAJ-CEMLEFRQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@]1(O)C(F)(F)F ZINC001204263241 1032706582 /nfs/dbraw/zinc/70/65/82/1032706582.db2.gz IQSJCYUHNHDUFV-QFBILLFUSA-N 2 1 388.474 3.542 20 0 GHADMP CN(Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204263721 1032707644 /nfs/dbraw/zinc/70/76/44/1032707644.db2.gz AXKROLKPTAULAH-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001204263721 1032707655 /nfs/dbraw/zinc/70/76/55/1032707655.db2.gz AXKROLKPTAULAH-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001204263721 1032707669 /nfs/dbraw/zinc/70/76/69/1032707669.db2.gz AXKROLKPTAULAH-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001204268740 1032710693 /nfs/dbraw/zinc/71/06/93/1032710693.db2.gz OUSOWPIZNOTVFI-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC001204268740 1032710708 /nfs/dbraw/zinc/71/07/08/1032710708.db2.gz OUSOWPIZNOTVFI-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC001204268740 1032710722 /nfs/dbraw/zinc/71/07/22/1032710722.db2.gz OUSOWPIZNOTVFI-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC001204271115 1032714427 /nfs/dbraw/zinc/71/44/27/1032714427.db2.gz DZVAYFVRORUOAO-LJQANCHMSA-N 2 1 376.541 3.571 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626419555 1017985483 /nfs/dbraw/zinc/98/54/83/1017985483.db2.gz JFNGODNGOCCZLN-XZOQPEGZSA-N 2 1 385.596 3.692 20 0 GHADMP CC(C)Oc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC000562649145 1018482501 /nfs/dbraw/zinc/48/25/01/1018482501.db2.gz KHANOKJAERTGSE-UHFFFAOYSA-N 2 1 388.899 3.526 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)n2)cc1 ZINC000562838935 1018697620 /nfs/dbraw/zinc/69/76/20/1018697620.db2.gz SMIFQSOJSFJFEX-TZIWHRDSSA-N 2 1 384.524 3.578 20 0 GHADMP C[C@H](C[NH+](C)C)Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CC[C@H](C)C3 ZINC001155922584 1032795607 /nfs/dbraw/zinc/79/56/07/1032795607.db2.gz WUNMAPVGMAMVHL-LSDHHAIUSA-N 2 1 387.597 3.774 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000564858223 1019119831 /nfs/dbraw/zinc/11/98/31/1019119831.db2.gz ASQVIFDJBIACLS-KYBKRXRWSA-N 2 1 394.559 3.677 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCc3nnc4n3CCCCC4)CC23CC3)cc1 ZINC000568627222 1019429748 /nfs/dbraw/zinc/42/97/48/1019429748.db2.gz UAORZIMGDUKMSZ-NRFANRHFSA-N 2 1 393.579 3.724 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCc3nnc4n3CCCCC4)CC23CC3)cc1 ZINC000568627222 1019429756 /nfs/dbraw/zinc/42/97/56/1019429756.db2.gz UAORZIMGDUKMSZ-NRFANRHFSA-N 2 1 393.579 3.724 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000572690496 1019795930 /nfs/dbraw/zinc/79/59/30/1019795930.db2.gz NYGONLASAUTTNC-ZHALLVOQSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000572690496 1019795940 /nfs/dbraw/zinc/79/59/40/1019795940.db2.gz NYGONLASAUTTNC-ZHALLVOQSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000572690496 1019795955 /nfs/dbraw/zinc/79/59/55/1019795955.db2.gz NYGONLASAUTTNC-ZHALLVOQSA-N 2 1 380.602 3.551 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)cc1)C1CC1 ZINC000579063581 1020385804 /nfs/dbraw/zinc/38/58/04/1020385804.db2.gz MCFISZNTXCIIID-KDURUIRLSA-N 2 1 379.508 3.576 20 0 GHADMP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000627524166 1020566826 /nfs/dbraw/zinc/56/68/26/1020566826.db2.gz BQSQWNGOTZTJBI-CWJKEVGVSA-N 2 1 397.588 3.515 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000638359540 1021040118 /nfs/dbraw/zinc/04/01/18/1021040118.db2.gz BWQOQRQALPCOMI-SFHVURJKSA-N 2 1 395.547 3.825 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(Br)cs1 ZINC000834518039 1021239418 /nfs/dbraw/zinc/23/94/18/1021239418.db2.gz DAFOUPFCSJNRKQ-LBPRGKRZSA-N 2 1 384.343 3.697 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140334596 1021434305 /nfs/dbraw/zinc/43/43/05/1021434305.db2.gz RJCYHLUFGCTCOS-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140334596 1021434314 /nfs/dbraw/zinc/43/43/14/1021434314.db2.gz RJCYHLUFGCTCOS-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140334596 1021434325 /nfs/dbraw/zinc/43/43/25/1021434325.db2.gz RJCYHLUFGCTCOS-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(-c4nccs4)c3)C2)C1 ZINC001140334596 1021434335 /nfs/dbraw/zinc/43/43/35/1021434335.db2.gz RJCYHLUFGCTCOS-FYYLOGMGSA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+](C)Cc1cc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)ccc1Br ZINC001228550192 1032982313 /nfs/dbraw/zinc/98/23/13/1032982313.db2.gz UFLYLFCFBCFVCI-QGZVFWFLSA-N 2 1 397.357 3.533 20 0 GHADMP C[N@H+]1CC[C@@H]2CN(Cc3cn(C(=O)OC(C)(C)C)c4cccc(O)c34)C[C@@H]2C1 ZINC001140359831 1021491621 /nfs/dbraw/zinc/49/16/21/1021491621.db2.gz WFXVJPFYNZDPIN-CVEARBPZSA-N 2 1 385.508 3.514 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCC5)CC[C@@H]3[N@@H+]2CC2CC2)c1 ZINC001203029027 1021502883 /nfs/dbraw/zinc/50/28/83/1021502883.db2.gz QIBFWACZKRNUOG-DSITVLBTSA-N 2 1 390.575 3.747 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccc5c(c4)CCC5)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001203029027 1021502891 /nfs/dbraw/zinc/50/28/91/1021502891.db2.gz QIBFWACZKRNUOG-DSITVLBTSA-N 2 1 390.575 3.747 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](Cc4ccc5c(c4)CCC5)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001203029027 1021502905 /nfs/dbraw/zinc/50/29/05/1021502905.db2.gz QIBFWACZKRNUOG-DSITVLBTSA-N 2 1 390.575 3.747 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4ccc5c(c4)CCC5)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001203029027 1021502915 /nfs/dbraw/zinc/50/29/15/1021502915.db2.gz QIBFWACZKRNUOG-DSITVLBTSA-N 2 1 390.575 3.747 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000835061602 1021835586 /nfs/dbraw/zinc/83/55/86/1021835586.db2.gz IHBONBPQHMTEBI-UHFFFAOYSA-N 2 1 378.923 3.996 20 0 GHADMP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000678225711 1021913448 /nfs/dbraw/zinc/91/34/48/1021913448.db2.gz QXYFGKIFLBSBQG-QHCPKHFHSA-N 2 1 396.510 3.721 20 0 GHADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000678225711 1021913452 /nfs/dbraw/zinc/91/34/52/1021913452.db2.gz QXYFGKIFLBSBQG-QHCPKHFHSA-N 2 1 396.510 3.721 20 0 GHADMP C[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000680370896 1022148797 /nfs/dbraw/zinc/14/87/97/1022148797.db2.gz OYLCIKNLJYPIQW-NRFANRHFSA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC(CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000680370896 1022148802 /nfs/dbraw/zinc/14/88/02/1022148802.db2.gz OYLCIKNLJYPIQW-NRFANRHFSA-N 2 1 397.588 3.696 20 0 GHADMP Cn1cnc2ccc(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC001140740486 1022399291 /nfs/dbraw/zinc/39/92/91/1022399291.db2.gz NPHXYXARSIGZNC-LNGMVNIQSA-N 2 1 376.548 3.968 20 0 GHADMP Brc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1cccn1 ZINC001204741829 1033058250 /nfs/dbraw/zinc/05/82/50/1033058250.db2.gz CRZOQRPCNZOPTA-UHFFFAOYSA-N 2 1 389.341 3.600 20 0 GHADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)CCO1 ZINC001204756899 1033070483 /nfs/dbraw/zinc/07/04/83/1033070483.db2.gz SQDIWGXWIBNTFY-SFHVURJKSA-N 2 1 380.410 3.802 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c(N)cccc4F)CC3)C2)cc1 ZINC001140873516 1022759452 /nfs/dbraw/zinc/75/94/52/1022759452.db2.gz DJWVPVRPNVOFLC-UHFFFAOYSA-N 2 1 383.511 3.583 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1N ZINC001140897759 1022829169 /nfs/dbraw/zinc/82/91/69/1022829169.db2.gz YYWPWYLXSFAEMX-OAQYLSRUSA-N 2 1 395.547 3.533 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)C2)CC1 ZINC001140904725 1022841492 /nfs/dbraw/zinc/84/14/92/1022841492.db2.gz FZXXZYAZPFRXRV-UHFFFAOYSA-N 2 1 380.479 3.995 20 0 GHADMP CCOC(=O)c1c[nH]c2cc(NC[C@H](c3ccccc3)[NH+]3CCCC3)[nH+]cc21 ZINC001156530782 1033088028 /nfs/dbraw/zinc/08/80/28/1033088028.db2.gz SMNOCTSIKVDVIE-HXUWFJFHSA-N 2 1 378.476 3.989 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)C(C)(C)C ZINC000755065874 1023055636 /nfs/dbraw/zinc/05/56/36/1023055636.db2.gz JSOZNPXEVMTPFO-MISYRCLQSA-N 2 1 380.621 3.647 20 0 GHADMP Clc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000755196366 1023119276 /nfs/dbraw/zinc/11/92/76/1023119276.db2.gz SRRRXWJQYKCZTC-HNNXBMFYSA-N 2 1 387.749 3.836 20 0 GHADMP Cc1cccc(C[N@H+](C)Cc2cc(Br)ccc2N2CC[NH2+]CC2)c1 ZINC001204848593 1033119864 /nfs/dbraw/zinc/11/98/64/1033119864.db2.gz OHRCTVQHZLLEBW-UHFFFAOYSA-N 2 1 388.353 3.799 20 0 GHADMP COc1cc(OCc2ccccc2)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001141078593 1023445492 /nfs/dbraw/zinc/44/54/92/1023445492.db2.gz AKVBVDFWEBWNML-UHFFFAOYSA-N 2 1 389.499 3.991 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(F)c1 ZINC001204916194 1033164504 /nfs/dbraw/zinc/16/45/04/1033164504.db2.gz RPIVWCDAWDKNLN-GOSISDBHSA-N 2 1 388.483 3.683 20 0 GHADMP COC(=O)/C=C/c1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001204937903 1033175937 /nfs/dbraw/zinc/17/59/37/1033175937.db2.gz PDBKQXNZYDMVRE-IMJMLGCKSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001204937903 1033175944 /nfs/dbraw/zinc/17/59/44/1033175944.db2.gz PDBKQXNZYDMVRE-IMJMLGCKSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001204937903 1033175952 /nfs/dbraw/zinc/17/59/52/1033175952.db2.gz PDBKQXNZYDMVRE-IMJMLGCKSA-N 2 1 394.515 3.856 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141183067 1024029459 /nfs/dbraw/zinc/02/94/59/1024029459.db2.gz PIQBZIUXCXCYOS-RDGATRHJSA-N 2 1 398.591 3.971 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141183067 1024029478 /nfs/dbraw/zinc/02/94/78/1024029478.db2.gz PIQBZIUXCXCYOS-RDGATRHJSA-N 2 1 398.591 3.971 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141183067 1024029496 /nfs/dbraw/zinc/02/94/96/1024029496.db2.gz PIQBZIUXCXCYOS-RDGATRHJSA-N 2 1 398.591 3.971 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141183067 1024029517 /nfs/dbraw/zinc/02/95/17/1024029517.db2.gz PIQBZIUXCXCYOS-RDGATRHJSA-N 2 1 398.591 3.971 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(F)c1 ZINC001141191819 1024063203 /nfs/dbraw/zinc/06/32/03/1024063203.db2.gz BVEJBILMAVLEKF-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001138121853 1024161209 /nfs/dbraw/zinc/16/12/09/1024161209.db2.gz OCHXSSISZPCYFT-VXKWHMMOSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001138121853 1024161219 /nfs/dbraw/zinc/16/12/19/1024161219.db2.gz OCHXSSISZPCYFT-VXKWHMMOSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001138121853 1024161241 /nfs/dbraw/zinc/16/12/41/1024161241.db2.gz OCHXSSISZPCYFT-VXKWHMMOSA-N 2 1 383.580 3.764 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001138138970 1024208589 /nfs/dbraw/zinc/20/85/89/1024208589.db2.gz YWSYQZUAUXYMCQ-FQEVSTJZSA-N 2 1 383.536 3.762 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001138138970 1024208608 /nfs/dbraw/zinc/20/86/08/1024208608.db2.gz YWSYQZUAUXYMCQ-FQEVSTJZSA-N 2 1 383.536 3.762 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC001138138970 1024208620 /nfs/dbraw/zinc/20/86/20/1024208620.db2.gz YWSYQZUAUXYMCQ-FQEVSTJZSA-N 2 1 383.536 3.762 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001138138970 1024208628 /nfs/dbraw/zinc/20/86/28/1024208628.db2.gz YWSYQZUAUXYMCQ-FQEVSTJZSA-N 2 1 383.536 3.762 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(-n4cccc4C[NH3+])c23)C1 ZINC001156730295 1033210722 /nfs/dbraw/zinc/21/07/22/1033210722.db2.gz HYCWUEAHYDTILF-AWEZNQCLSA-N 2 1 381.549 3.661 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522366 1024614693 /nfs/dbraw/zinc/61/46/93/1024614693.db2.gz KPJLFNBRCZTMQU-QKYXUNIQSA-N 2 1 381.923 3.651 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522366 1024614703 /nfs/dbraw/zinc/61/47/03/1024614703.db2.gz KPJLFNBRCZTMQU-QKYXUNIQSA-N 2 1 381.923 3.651 20 0 GHADMP Cc1cnccc1O[C@@H]1CC[N@H+](Cc2ncccc2NC(=O)OC(C)(C)C)C1 ZINC001138411744 1024796089 /nfs/dbraw/zinc/79/60/89/1024796089.db2.gz SHGWLSPJVXEJFE-MRXNPFEDSA-N 2 1 384.480 3.785 20 0 GHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2ncccc2NC(=O)OC(C)(C)C)C1 ZINC001138411744 1024796100 /nfs/dbraw/zinc/79/61/00/1024796100.db2.gz SHGWLSPJVXEJFE-MRXNPFEDSA-N 2 1 384.480 3.785 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1C ZINC001205082112 1033241610 /nfs/dbraw/zinc/24/16/10/1033241610.db2.gz IQJYURDIEYVCQH-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1C ZINC001205082112 1033241623 /nfs/dbraw/zinc/24/16/23/1033241623.db2.gz IQJYURDIEYVCQH-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1C ZINC001205082112 1033241638 /nfs/dbraw/zinc/24/16/38/1033241638.db2.gz IQJYURDIEYVCQH-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC001205157048 1033277189 /nfs/dbraw/zinc/27/71/89/1033277189.db2.gz SSWJEFMBATVQRS-UHFFFAOYSA-N 2 1 390.881 3.608 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC000838843401 1025393159 /nfs/dbraw/zinc/39/31/59/1025393159.db2.gz YHIMTFYLEACIGJ-UHFFFAOYSA-N 2 1 375.738 3.645 20 0 GHADMP c1cn(C2CCCC2)c2nc[nH+]c(NCC3(c4cccnc4)CC[NH2+]CC3)c12 ZINC001162036687 1025554083 /nfs/dbraw/zinc/55/40/83/1025554083.db2.gz LIUQOEFUYWGPRD-UHFFFAOYSA-N 2 1 376.508 3.675 20 0 GHADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)c1nnc2ccccn21 ZINC001162177774 1025649637 /nfs/dbraw/zinc/64/96/37/1025649637.db2.gz FHWXODUXGFDQGM-WBVHZDCISA-N 2 1 375.480 3.567 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1C ZINC001141576095 1025650483 /nfs/dbraw/zinc/65/04/83/1025650483.db2.gz CXHAJXVVVCJZRO-WOJBJXKFSA-N 2 1 388.600 3.715 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138955443 1025652171 /nfs/dbraw/zinc/65/21/71/1025652171.db2.gz TVBKEBUTORRNIC-UHFFFAOYSA-N 2 1 391.991 3.798 20 0 GHADMP CCC(=O)Oc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1 ZINC001138960606 1025660808 /nfs/dbraw/zinc/66/08/08/1025660808.db2.gz QZLMJWHPMZDSSM-SZPZYZBQSA-N 2 1 378.516 3.874 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001138960606 1025660823 /nfs/dbraw/zinc/66/08/23/1025660823.db2.gz QZLMJWHPMZDSSM-SZPZYZBQSA-N 2 1 378.516 3.874 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001138960606 1025660916 /nfs/dbraw/zinc/66/09/16/1025660916.db2.gz QZLMJWHPMZDSSM-SZPZYZBQSA-N 2 1 378.516 3.874 20 0 GHADMP CC(C)COc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001138968297 1025680933 /nfs/dbraw/zinc/68/09/33/1025680933.db2.gz QUXYONULYVBASP-UHFFFAOYSA-N 2 1 382.552 3.572 20 0 GHADMP Cc1ccc2sc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)nc2c1C ZINC001162308100 1025709672 /nfs/dbraw/zinc/70/96/72/1025709672.db2.gz NURLCZMMHIQGCW-UHFFFAOYSA-N 2 1 381.549 3.932 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3nccc4c3CCCC4)cc2)C[C@H](C)O1 ZINC001461035582 1069350162 /nfs/dbraw/zinc/35/01/62/1069350162.db2.gz ASGSNEOOKYZYCA-KDURUIRLSA-N 2 1 379.548 3.859 20 0 GHADMP Cc1c(Cl)nnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1C ZINC001162929538 1025970214 /nfs/dbraw/zinc/97/02/14/1025970214.db2.gz NALVTVRUSSBQQI-IBGZPJMESA-N 2 1 399.970 3.661 20 0 GHADMP CNc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1C ZINC001162941335 1025978561 /nfs/dbraw/zinc/97/85/61/1025978561.db2.gz IJCCUMBZBNXODX-NRFANRHFSA-N 2 1 378.564 3.950 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cc4c(cn3)OCCO4)cc2)C1 ZINC001461051450 1069362177 /nfs/dbraw/zinc/36/21/77/1069362177.db2.gz SCRHYIKWSMVNCD-QZTJIDSGSA-N 2 1 381.520 3.621 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cc2C1 ZINC001461053732 1069363639 /nfs/dbraw/zinc/36/36/39/1069363639.db2.gz WSNUDJWRPXGMBS-LEWJYISDSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cc2C1 ZINC001461053732 1069363644 /nfs/dbraw/zinc/36/36/44/1069363644.db2.gz WSNUDJWRPXGMBS-LEWJYISDSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H](C)C1 ZINC001163369440 1026163621 /nfs/dbraw/zinc/16/36/21/1026163621.db2.gz FJAMWHRLDLBVLC-KDOFPFPSSA-N 2 1 398.929 3.869 20 0 GHADMP c1cc(-c2ccc(CN3C[C@H]4C[NH+](Cc5ccccn5)C[C@@H]4C3)cn2)cs1 ZINC001139497866 1026354445 /nfs/dbraw/zinc/35/44/45/1026354445.db2.gz HHHXCLAJJCFBCU-PMACEKPBSA-N 2 1 376.529 3.769 20 0 GHADMP O=C1CCC[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139513808 1026369959 /nfs/dbraw/zinc/36/99/59/1026369959.db2.gz FKLFIVHMGRWHPM-UHFFFAOYSA-N 2 1 377.532 3.564 20 0 GHADMP O=C1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139513808 1026369969 /nfs/dbraw/zinc/36/99/69/1026369969.db2.gz FKLFIVHMGRWHPM-UHFFFAOYSA-N 2 1 377.532 3.564 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001139516273 1026372662 /nfs/dbraw/zinc/37/26/62/1026372662.db2.gz XVYJMJRXFWSKPU-RUZDIDTESA-N 2 1 391.559 3.620 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCOC[C@@H]3C3CC3)CC2)cc1 ZINC001139516273 1026372676 /nfs/dbraw/zinc/37/26/76/1026372676.db2.gz XVYJMJRXFWSKPU-RUZDIDTESA-N 2 1 391.559 3.620 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139518803 1026376416 /nfs/dbraw/zinc/37/64/16/1026376416.db2.gz AUVVTDMHPRSZIP-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139518803 1026376428 /nfs/dbraw/zinc/37/64/28/1026376428.db2.gz AUVVTDMHPRSZIP-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139518803 1026376439 /nfs/dbraw/zinc/37/64/39/1026376439.db2.gz AUVVTDMHPRSZIP-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3ccccc3)nc1)C2 ZINC001139518803 1026376451 /nfs/dbraw/zinc/37/64/51/1026376451.db2.gz AUVVTDMHPRSZIP-NOZRDPDXSA-N 2 1 391.559 3.929 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461100442 1069388873 /nfs/dbraw/zinc/38/88/73/1069388873.db2.gz IRSVNKMTLLDXIP-HNNXBMFYSA-N 2 1 397.510 3.670 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(Cc4cc(Cl)ccn4)CC3)C2)cc1 ZINC001139562969 1026433578 /nfs/dbraw/zinc/43/35/78/1026433578.db2.gz URSGNVHSMOIKFS-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP C[C@@H]1CC[C@H](C[NH3+])CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164474520 1026519940 /nfs/dbraw/zinc/51/99/40/1026519940.db2.gz RLSOTTBULHNFRA-HZPDHXFCSA-N 2 1 399.608 3.730 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cn5ccncc5n4)CC3)C2)cc1 ZINC001139695567 1026544942 /nfs/dbraw/zinc/54/49/42/1026544942.db2.gz TWCUANZTALKLDB-UHFFFAOYSA-N 2 1 389.547 3.916 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@H+]3C[C@H]4CN(Cc5cccs5)C[C@H]4C3)c21 ZINC001139717446 1026560022 /nfs/dbraw/zinc/56/00/22/1026560022.db2.gz DEJIGNUNBZJCIZ-CALCHBBNSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@@H+]3C[C@H]4CN(Cc5cccs5)C[C@H]4C3)c21 ZINC001139717446 1026560029 /nfs/dbraw/zinc/56/00/29/1026560029.db2.gz DEJIGNUNBZJCIZ-CALCHBBNSA-N 2 1 395.528 3.580 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001165182498 1026651376 /nfs/dbraw/zinc/65/13/76/1026651376.db2.gz NYVRCAGARXTVRD-IERDGZPVSA-N 2 1 384.955 3.728 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4cnccc42)CC3)cn1 ZINC001140142806 1026916451 /nfs/dbraw/zinc/91/64/51/1026916451.db2.gz ALBOHPRABQQWTC-UHFFFAOYSA-N 2 1 375.520 3.599 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4cnccc42)CC3)cn1 ZINC001140142806 1026916455 /nfs/dbraw/zinc/91/64/55/1026916455.db2.gz ALBOHPRABQQWTC-UHFFFAOYSA-N 2 1 375.520 3.599 20 0 GHADMP COc1cccc(-c2ncc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cn2)c1 ZINC001140197135 1026970510 /nfs/dbraw/zinc/97/05/10/1026970510.db2.gz JOLAFKSDTUSDOA-SFTDATJTSA-N 2 1 380.536 3.991 20 0 GHADMP COc1cccc(-c2ncc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cn2)c1 ZINC001140197135 1026970516 /nfs/dbraw/zinc/97/05/16/1026970516.db2.gz JOLAFKSDTUSDOA-SFTDATJTSA-N 2 1 380.536 3.991 20 0 GHADMP COc1cccc(-c2ncc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cn2)c1 ZINC001140197135 1026970518 /nfs/dbraw/zinc/97/05/18/1026970518.db2.gz JOLAFKSDTUSDOA-SFTDATJTSA-N 2 1 380.536 3.991 20 0 GHADMP COc1cccc(-c2ncc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cn2)c1 ZINC001140197135 1026970522 /nfs/dbraw/zinc/97/05/22/1026970522.db2.gz JOLAFKSDTUSDOA-SFTDATJTSA-N 2 1 380.536 3.991 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C(F)(F)F ZINC001206714841 1026987424 /nfs/dbraw/zinc/98/74/24/1026987424.db2.gz LMHFJDFAFQCGRM-IDCNUPLLSA-N 2 1 390.490 3.893 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C(F)(F)F ZINC001206714841 1026987432 /nfs/dbraw/zinc/98/74/32/1026987432.db2.gz LMHFJDFAFQCGRM-IDCNUPLLSA-N 2 1 390.490 3.893 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840044179 1027110387 /nfs/dbraw/zinc/11/03/87/1027110387.db2.gz VRZIZKXSHXIFHH-UHFFFAOYSA-N 2 1 394.498 3.675 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718895 1027114505 /nfs/dbraw/zinc/11/45/05/1027114505.db2.gz RDOLPNFZKRXPKD-LEWJYISDSA-N 2 1 394.515 3.768 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718895 1027114523 /nfs/dbraw/zinc/11/45/23/1027114523.db2.gz RDOLPNFZKRXPKD-LEWJYISDSA-N 2 1 394.515 3.768 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc2c1OCO2 ZINC001209718895 1027114532 /nfs/dbraw/zinc/11/45/32/1027114532.db2.gz RDOLPNFZKRXPKD-LEWJYISDSA-N 2 1 394.515 3.768 20 0 GHADMP COC(=O)c1c[nH+]c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c2ccn(C)c21 ZINC001166888181 1027133436 /nfs/dbraw/zinc/13/34/36/1027133436.db2.gz FCCQWHWWHGPMMO-LJQANCHMSA-N 2 1 378.476 3.609 20 0 GHADMP COc1cccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1OC ZINC001203443771 1027340786 /nfs/dbraw/zinc/34/07/86/1027340786.db2.gz MORLNSCOQOKIOF-UHFFFAOYSA-N 2 1 377.488 3.883 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccccc4C)CC3)C2)c1 ZINC001203700690 1027542490 /nfs/dbraw/zinc/54/24/90/1027542490.db2.gz JLZURWDNFZJWBB-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccccc4C)CC3)C2)c1 ZINC001203700690 1027542497 /nfs/dbraw/zinc/54/24/97/1027542497.db2.gz JLZURWDNFZJWBB-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](Cc2cccc(F)c2)CC1 ZINC001203785147 1027602030 /nfs/dbraw/zinc/60/20/30/1027602030.db2.gz UGBMWJSRFJYQJG-UHFFFAOYSA-N 2 1 395.522 3.576 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[N@H+](C(C)(C)C)C3)c2)CC1 ZINC001210805831 1027657328 /nfs/dbraw/zinc/65/73/28/1027657328.db2.gz BDFPZVYGTUBSIM-OAQYLSRUSA-N 2 1 386.584 3.591 20 0 GHADMP C[NH+](C)C1(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCC1 ZINC001210826079 1027664378 /nfs/dbraw/zinc/66/43/78/1027664378.db2.gz FBCABRFWHGGFQF-HSZRJFAPSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837828 1027673472 /nfs/dbraw/zinc/67/34/72/1027673472.db2.gz VTDZTQQAQZXCAA-HXUWFJFHSA-N 2 1 378.605 3.547 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203914173 1027704130 /nfs/dbraw/zinc/70/41/30/1027704130.db2.gz JOYIDMLNXXVRNX-LJQANCHMSA-N 2 1 389.540 3.785 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203914173 1027704141 /nfs/dbraw/zinc/70/41/41/1027704141.db2.gz JOYIDMLNXXVRNX-LJQANCHMSA-N 2 1 389.540 3.785 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC001461277932 1069477831 /nfs/dbraw/zinc/47/78/31/1069477831.db2.gz WWYFGZSHHUXGMZ-VAMGGRTRSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001461277932 1069477837 /nfs/dbraw/zinc/47/78/37/1069477837.db2.gz WWYFGZSHHUXGMZ-VAMGGRTRSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001461277932 1069477842 /nfs/dbraw/zinc/47/78/42/1069477842.db2.gz WWYFGZSHHUXGMZ-VAMGGRTRSA-N 2 1 379.548 3.872 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000840808244 1027848447 /nfs/dbraw/zinc/84/84/47/1027848447.db2.gz APNRVUAVYXSVHS-SJLPKXTDSA-N 2 1 390.572 3.797 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1 ZINC000840862528 1027895114 /nfs/dbraw/zinc/89/51/14/1027895114.db2.gz HDFVZSYLSODKBB-OXQOHEQNSA-N 2 1 378.476 3.952 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000840866934 1027904749 /nfs/dbraw/zinc/90/47/49/1027904749.db2.gz ZXCXYKWVZALNAA-STZQEDGTSA-N 2 1 381.520 3.607 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000840866934 1027904757 /nfs/dbraw/zinc/90/47/57/1027904757.db2.gz ZXCXYKWVZALNAA-STZQEDGTSA-N 2 1 381.520 3.607 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001142070066 1028023920 /nfs/dbraw/zinc/02/39/20/1028023920.db2.gz ZECVKNUQALVGJS-QHCPKHFHSA-N 2 1 379.548 3.708 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001142070066 1028023939 /nfs/dbraw/zinc/02/39/39/1028023939.db2.gz ZECVKNUQALVGJS-QHCPKHFHSA-N 2 1 379.548 3.708 20 0 GHADMP CCC[C@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC000841282737 1028368132 /nfs/dbraw/zinc/36/81/32/1028368132.db2.gz NNHLKLORIJOQDZ-NRFANRHFSA-N 2 1 396.535 3.543 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(OC(F)F)c(OC(F)F)c3)C2)CC1 ZINC001142821902 1029531760 /nfs/dbraw/zinc/53/17/60/1029531760.db2.gz AEUZINPRITVVGQ-UHFFFAOYSA-N 2 1 376.394 3.807 20 0 GHADMP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000842921578 1029685933 /nfs/dbraw/zinc/68/59/33/1029685933.db2.gz QKKSRRZDKDZZAR-WCIQWLHISA-N 2 1 394.506 3.679 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000842921581 1029685995 /nfs/dbraw/zinc/68/59/95/1029685995.db2.gz QKKSRRZDKDZZAR-WTGUMLROSA-N 2 1 394.506 3.679 20 0 GHADMP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCCCC1 ZINC001143019764 1029786187 /nfs/dbraw/zinc/78/61/87/1029786187.db2.gz DHEPMTAASJFXKC-UHFFFAOYSA-N 2 1 385.596 3.666 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)c(Cl)c1 ZINC001143139988 1029864728 /nfs/dbraw/zinc/86/47/28/1029864728.db2.gz HYWOWMIDWMLYEE-SFHVURJKSA-N 2 1 379.976 3.952 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001143157148 1029873250 /nfs/dbraw/zinc/87/32/50/1029873250.db2.gz FZHHKCUHLXLEBZ-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4cccnc4[nH]3)C[C@H]21 ZINC001143220166 1029924449 /nfs/dbraw/zinc/92/44/49/1029924449.db2.gz HCZXKVDPFBBBBV-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4cccnc4[nH]3)C[C@H]21 ZINC001143220166 1029924454 /nfs/dbraw/zinc/92/44/54/1029924454.db2.gz HCZXKVDPFBBBBV-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4cccnc4[nH]3)C[C@H]21 ZINC001143220166 1029924459 /nfs/dbraw/zinc/92/44/59/1029924459.db2.gz HCZXKVDPFBBBBV-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4cccnc4[nH]3)C[C@H]21 ZINC001143220166 1029924467 /nfs/dbraw/zinc/92/44/67/1029924467.db2.gz HCZXKVDPFBBBBV-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000843358240 1029936932 /nfs/dbraw/zinc/93/69/32/1029936932.db2.gz IDAWUOTWFQXOJV-ZCNNSNEGSA-N 2 1 378.438 3.773 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000843358240 1029936937 /nfs/dbraw/zinc/93/69/37/1029936937.db2.gz IDAWUOTWFQXOJV-ZCNNSNEGSA-N 2 1 378.438 3.773 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364735 1029942263 /nfs/dbraw/zinc/94/22/63/1029942263.db2.gz OEBMYZFBWLRDCJ-JOCHJYFZSA-N 2 1 393.531 3.759 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222095473 1029963139 /nfs/dbraw/zinc/96/31/39/1029963139.db2.gz UNUAQECIJXWEHE-UHFFFAOYSA-N 2 1 389.465 3.900 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)s1 ZINC001222148459 1029978963 /nfs/dbraw/zinc/97/89/63/1029978963.db2.gz PIFUAPBHZOLWPA-KRWDZBQOSA-N 2 1 384.471 3.743 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CCCc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001222215748 1030012155 /nfs/dbraw/zinc/01/21/55/1030012155.db2.gz KSKFZFAHXMSFFS-SFHVURJKSA-N 2 1 398.469 3.645 20 0 GHADMP c1cn2ccc(C[N@@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc2n1 ZINC001222582764 1030209703 /nfs/dbraw/zinc/20/97/03/1030209703.db2.gz GDRYTDZWTVJBKZ-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1cn2ccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)cc2n1 ZINC001222582764 1030209722 /nfs/dbraw/zinc/20/97/22/1030209722.db2.gz GDRYTDZWTVJBKZ-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cccnc12 ZINC001222590553 1030216055 /nfs/dbraw/zinc/21/60/55/1030216055.db2.gz JGUNLZANLNKANC-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP c1c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cccnc12 ZINC001222590553 1030216068 /nfs/dbraw/zinc/21/60/68/1030216068.db2.gz JGUNLZANLNKANC-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP Clc1cc(-n2ccnc2)ccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608791 1030231006 /nfs/dbraw/zinc/23/10/06/1030231006.db2.gz FGPAFYXGNIAFAP-FQEVSTJZSA-N 2 1 378.907 3.715 20 0 GHADMP Clc1cc(-n2ccnc2)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222608791 1030231022 /nfs/dbraw/zinc/23/10/22/1030231022.db2.gz FGPAFYXGNIAFAP-FQEVSTJZSA-N 2 1 378.907 3.715 20 0 GHADMP FC(F)(F)c1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC001222629500 1030250391 /nfs/dbraw/zinc/25/03/91/1030250391.db2.gz KJLWDSLXSYHICJ-TXEJJXNPSA-N 2 1 377.248 3.899 20 0 GHADMP [NH3+]C1CCN(Cc2ccccc2O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001218175523 1030808633 /nfs/dbraw/zinc/80/86/33/1030808633.db2.gz ACKCPZYEZWXSBE-HSZRJFAPSA-N 2 1 379.548 3.653 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2Cc2sc(Cl)c3ccccc32)C1=O ZINC001276938437 1030850643 /nfs/dbraw/zinc/85/06/43/1030850643.db2.gz SYKMPHPTOLPFIG-HXUWFJFHSA-N 2 1 391.968 3.683 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2cccc(CN4CC[NH2+]CC4)c2)C3)cc1 ZINC001218343224 1030904304 /nfs/dbraw/zinc/90/43/04/1030904304.db2.gz DDCRHQDYSPMJFP-YXFZHOHLSA-N 2 1 391.559 3.666 20 0 GHADMP Cc1ccc(NCCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)[nH+]c1 ZINC001224306839 1030963041 /nfs/dbraw/zinc/96/30/41/1030963041.db2.gz NLNAHAGASPPAPU-NRFANRHFSA-N 2 1 395.551 3.574 20 0 GHADMP [NH3+][C@@H](CC(=O)Nc1ccnn1-c1cc[nH+]cc1)C(c1ccccc1)c1ccccc1 ZINC001218742503 1031060852 /nfs/dbraw/zinc/06/08/52/1031060852.db2.gz GJQCWSXVNQECHJ-NRFANRHFSA-N 2 1 397.482 3.755 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001224845863 1031146838 /nfs/dbraw/zinc/14/68/38/1031146838.db2.gz QKPIMVMGAXFLPB-SBHAEUEKSA-N 2 1 392.632 3.839 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C(F)(F)C3CC[NH2+]CC3)cccc2[C@H](c2ccccc2)C1 ZINC001219046881 1031228060 /nfs/dbraw/zinc/22/80/60/1031228060.db2.gz LFNIHOQOKFKGPU-IBGZPJMESA-N 2 1 399.485 3.837 20 0 GHADMP CCC[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001152415457 1031228025 /nfs/dbraw/zinc/22/80/25/1031228025.db2.gz ARBZGOOBKDQSJF-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001219046944 1031229027 /nfs/dbraw/zinc/22/90/27/1031229027.db2.gz MUXBCDIBZVPBQR-PERKRYKHSA-N 2 1 395.547 3.733 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1 ZINC001219705852 1031566631 /nfs/dbraw/zinc/56/66/31/1031566631.db2.gz QNSLFMNGGUSPKZ-RUZDIDTESA-N 2 1 399.538 3.822 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)NCc1ccc2c(c1)CC[NH2+]C2)c1ccccc1 ZINC001219705852 1031566643 /nfs/dbraw/zinc/56/66/43/1031566643.db2.gz QNSLFMNGGUSPKZ-RUZDIDTESA-N 2 1 399.538 3.822 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC001219715113 1031576035 /nfs/dbraw/zinc/57/60/35/1031576035.db2.gz JWKVKRPOFSSKEV-UHFFFAOYSA-N 2 1 395.551 3.567 20 0 GHADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@H]1CC12CCCCC2 ZINC001219726924 1031581331 /nfs/dbraw/zinc/58/13/31/1031581331.db2.gz RYTWHXJZAOFCFE-FGZHOGPDSA-N 2 1 395.591 3.575 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC001219941376 1031707368 /nfs/dbraw/zinc/70/73/68/1031707368.db2.gz WLSHLGAIDCYGFT-QTJGBDASSA-N 2 1 391.559 3.551 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001220472886 1031955282 /nfs/dbraw/zinc/95/52/82/1031955282.db2.gz MELSNIVVYQKMAL-GCJKJVERSA-N 2 1 399.583 3.628 20 0 GHADMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC001205230691 1033318780 /nfs/dbraw/zinc/31/87/80/1033318780.db2.gz UAFPSJLXROOECG-KRWDZBQOSA-N 2 1 385.455 3.505 20 0 GHADMP Cc1nn2c(C[NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c(C(C)C)nc2s1 ZINC001205385430 1033387061 /nfs/dbraw/zinc/38/70/61/1033387061.db2.gz GAVHXOORARIVDX-ZBFHGGJFSA-N 2 1 375.586 3.965 20 0 GHADMP Cc1nn2c(C[NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c(C(C)C)nc2s1 ZINC001205385430 1033387075 /nfs/dbraw/zinc/38/70/75/1033387075.db2.gz GAVHXOORARIVDX-ZBFHGGJFSA-N 2 1 375.586 3.965 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC001205446409 1033414230 /nfs/dbraw/zinc/41/42/30/1033414230.db2.gz KHBCDMAUTRFVFY-ZSLQJQOZSA-N 2 1 399.579 3.886 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC001205446405 1033414836 /nfs/dbraw/zinc/41/48/36/1033414836.db2.gz KHBCDMAUTRFVFY-PMAMDCHESA-N 2 1 399.579 3.886 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C(F)(F)F)c1 ZINC001205541141 1033461007 /nfs/dbraw/zinc/46/10/07/1033461007.db2.gz MTNOJYWYRTZOEF-UHFFFAOYSA-N 2 1 384.442 3.800 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])CC3)c2n1 ZINC001205638511 1033505022 /nfs/dbraw/zinc/50/50/22/1033505022.db2.gz OTFAGFQAKGDPDP-ZIAGYGMSSA-N 2 1 392.341 3.813 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)CC1 ZINC001205702871 1033537961 /nfs/dbraw/zinc/53/79/61/1033537961.db2.gz QEPPPHCSGLOIBP-UHFFFAOYSA-N 2 1 387.568 3.841 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC001205702871 1033537973 /nfs/dbraw/zinc/53/79/73/1033537973.db2.gz QEPPPHCSGLOIBP-UHFFFAOYSA-N 2 1 387.568 3.841 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC001205702871 1033537989 /nfs/dbraw/zinc/53/79/89/1033537989.db2.gz QEPPPHCSGLOIBP-UHFFFAOYSA-N 2 1 387.568 3.841 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)[C@@H](c2ccccc2)C1 ZINC001157496247 1033621055 /nfs/dbraw/zinc/62/10/55/1033621055.db2.gz TWLHGEAFSCKGDR-QZTJIDSGSA-N 2 1 392.330 3.899 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)[C@@H](c2ccccc2)C1 ZINC001157496247 1033621062 /nfs/dbraw/zinc/62/10/62/1033621062.db2.gz TWLHGEAFSCKGDR-QZTJIDSGSA-N 2 1 392.330 3.899 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(OCc2ccccc2)cc1OC ZINC001205905240 1033629062 /nfs/dbraw/zinc/62/90/62/1033629062.db2.gz ZMJQWBMKVXENQB-IEBWSBKVSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c(OCc2ccccc2)cc1OC ZINC001205905240 1033629068 /nfs/dbraw/zinc/62/90/68/1033629068.db2.gz ZMJQWBMKVXENQB-IEBWSBKVSA-N 2 1 384.520 3.842 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(OC(F)F)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206024128 1033692048 /nfs/dbraw/zinc/69/20/48/1033692048.db2.gz HXHUVTIDHHYNSZ-NWDGAFQWSA-N 2 1 377.273 3.857 20 0 GHADMP [NH3+]CC[C@@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c2ccccc21 ZINC001157746902 1033750738 /nfs/dbraw/zinc/75/07/38/1033750738.db2.gz PNIAZVGAKFGULK-LJQANCHMSA-N 2 1 385.515 3.619 20 0 GHADMP [NH3+]CC[C@@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c2ccccc21 ZINC001157746902 1033750754 /nfs/dbraw/zinc/75/07/54/1033750754.db2.gz PNIAZVGAKFGULK-LJQANCHMSA-N 2 1 385.515 3.619 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@@H]1F ZINC001206197806 1033760495 /nfs/dbraw/zinc/76/04/95/1033760495.db2.gz JKXDDDUKRFPZNJ-HOTGVXAUSA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[C@@H]1F ZINC001206197806 1033760508 /nfs/dbraw/zinc/76/05/08/1033760508.db2.gz JKXDDDUKRFPZNJ-HOTGVXAUSA-N 2 1 383.389 3.908 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1SC ZINC001206426985 1033838201 /nfs/dbraw/zinc/83/82/01/1033838201.db2.gz LQEKDINAMGEECF-QGZVFWFLSA-N 2 1 378.586 3.597 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001158032936 1033874052 /nfs/dbraw/zinc/87/40/52/1033874052.db2.gz YENNMCFRBQGTGY-ZCYQVOJMSA-N 2 1 397.607 3.979 20 0 GHADMP c1ccc(C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCOCC2)cc1 ZINC001206716855 1033955379 /nfs/dbraw/zinc/95/53/79/1033955379.db2.gz GYRUDYCULCYWAZ-UHFFFAOYSA-N 2 1 380.532 3.700 20 0 GHADMP c1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCOCC2)cc1 ZINC001206716855 1033955389 /nfs/dbraw/zinc/95/53/89/1033955389.db2.gz GYRUDYCULCYWAZ-UHFFFAOYSA-N 2 1 380.532 3.700 20 0 GHADMP CCCCOc1ccccc1CN(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001206846076 1034031263 /nfs/dbraw/zinc/03/12/63/1034031263.db2.gz FHJKGUVAFGFSJP-DEOSSOPVSA-N 2 1 382.548 3.934 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207092305 1034088143 /nfs/dbraw/zinc/08/81/43/1034088143.db2.gz DHSUYSNPFDYGNJ-SIKLNZKXSA-N 2 1 380.532 3.906 20 0 GHADMP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC001207102371 1034093673 /nfs/dbraw/zinc/09/36/73/1034093673.db2.gz OIKMNBNQKWLKSE-AXMVRHARSA-N 2 1 384.564 3.856 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001207240272 1034204965 /nfs/dbraw/zinc/20/49/65/1034204965.db2.gz MDLUSVIYELUXLM-FQEVSTJZSA-N 2 1 391.600 3.974 20 0 GHADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1(C)C ZINC001207280913 1034234652 /nfs/dbraw/zinc/23/46/52/1034234652.db2.gz TYVUUPKABDSDSM-XPWALMASSA-N 2 1 383.580 3.987 20 0 GHADMP CC1=CC[C@@H](CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1(C)C ZINC001207280913 1034234661 /nfs/dbraw/zinc/23/46/61/1034234661.db2.gz TYVUUPKABDSDSM-XPWALMASSA-N 2 1 383.580 3.987 20 0 GHADMP CC1=CC[C@@H](CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1(C)C ZINC001207280913 1034234676 /nfs/dbraw/zinc/23/46/76/1034234676.db2.gz TYVUUPKABDSDSM-XPWALMASSA-N 2 1 383.580 3.987 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001207292212 1034243785 /nfs/dbraw/zinc/24/37/85/1034243785.db2.gz ALKRIJACINGFHH-HSZRJFAPSA-N 2 1 378.516 3.671 20 0 GHADMP Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001230859239 1034255378 /nfs/dbraw/zinc/25/53/78/1034255378.db2.gz UUVWBBSNFWHFIR-BVSLBCMMSA-N 2 1 388.600 3.545 20 0 GHADMP Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001230859239 1034255393 /nfs/dbraw/zinc/25/53/93/1034255393.db2.gz UUVWBBSNFWHFIR-BVSLBCMMSA-N 2 1 388.600 3.545 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(CCCc3ccccc3F)CC[C@@H]21 ZINC001207494591 1034399676 /nfs/dbraw/zinc/39/96/76/1034399676.db2.gz AAEPCIVJAOMUGD-GIWBLDEGSA-N 2 1 384.543 3.828 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCCc3ccccc3F)CC[C@@H]21 ZINC001207494591 1034399688 /nfs/dbraw/zinc/39/96/88/1034399688.db2.gz AAEPCIVJAOMUGD-GIWBLDEGSA-N 2 1 384.543 3.828 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCCc3ccccc3F)CC[C@@H]21 ZINC001207494591 1034399697 /nfs/dbraw/zinc/39/96/97/1034399697.db2.gz AAEPCIVJAOMUGD-GIWBLDEGSA-N 2 1 384.543 3.828 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCCc3ccccc3F)CC[C@@H]21 ZINC001207494591 1034399708 /nfs/dbraw/zinc/39/97/08/1034399708.db2.gz AAEPCIVJAOMUGD-GIWBLDEGSA-N 2 1 384.543 3.828 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCCc3ccccc3F)CC[C@@H]21 ZINC001207494591 1034399723 /nfs/dbraw/zinc/39/97/23/1034399723.db2.gz AAEPCIVJAOMUGD-GIWBLDEGSA-N 2 1 384.543 3.828 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CCc1ccc(F)cc1)CC2 ZINC001207512335 1034417730 /nfs/dbraw/zinc/41/77/30/1034417730.db2.gz MBPBZUQMPOBBFL-JOCHJYFZSA-N 2 1 383.511 3.519 20 0 GHADMP COc1ccc(CCC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001207578121 1034459951 /nfs/dbraw/zinc/45/99/51/1034459951.db2.gz PAMILJJZQBKTBZ-GPXNEJASSA-N 2 1 396.579 3.698 20 0 GHADMP COc1ccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001207578121 1034459956 /nfs/dbraw/zinc/45/99/56/1034459956.db2.gz PAMILJJZQBKTBZ-GPXNEJASSA-N 2 1 396.579 3.698 20 0 GHADMP COc1ccc(CCC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001207578121 1034459960 /nfs/dbraw/zinc/45/99/60/1034459960.db2.gz PAMILJJZQBKTBZ-GPXNEJASSA-N 2 1 396.579 3.698 20 0 GHADMP [NH3+]C1CCN(c2ncccc2NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001159262728 1034510023 /nfs/dbraw/zinc/51/00/23/1034510023.db2.gz XCHURFGXSJHJEE-YADHBBJMSA-N 2 1 389.547 3.742 20 0 GHADMP C[N@@H+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207781066 1034573732 /nfs/dbraw/zinc/57/37/32/1034573732.db2.gz QRZSTRQGSKMBAQ-YSFYHYPLSA-N 2 1 399.579 3.553 20 0 GHADMP C[NH+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207781066 1034573739 /nfs/dbraw/zinc/57/37/39/1034573739.db2.gz QRZSTRQGSKMBAQ-YSFYHYPLSA-N 2 1 399.579 3.553 20 0 GHADMP C[NH+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207781066 1034573753 /nfs/dbraw/zinc/57/37/53/1034573753.db2.gz QRZSTRQGSKMBAQ-YSFYHYPLSA-N 2 1 399.579 3.553 20 0 GHADMP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001159392283 1034578007 /nfs/dbraw/zinc/57/80/07/1034578007.db2.gz XUNNXXYTMVUAAH-YSIASYRMSA-N 2 1 380.536 3.888 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001159567084 1034667937 /nfs/dbraw/zinc/66/79/37/1034667937.db2.gz QUHWXSQRTFIIJY-MBJRSGMTSA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001159567084 1034667941 /nfs/dbraw/zinc/66/79/41/1034667941.db2.gz QUHWXSQRTFIIJY-MBJRSGMTSA-N 2 1 383.580 3.809 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001159567084 1034667945 /nfs/dbraw/zinc/66/79/45/1034667945.db2.gz QUHWXSQRTFIIJY-MBJRSGMTSA-N 2 1 383.580 3.809 20 0 GHADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001208179696 1034777925 /nfs/dbraw/zinc/77/79/25/1034777925.db2.gz ZZLRPBOWIXCZOE-JTHBVZDNSA-N 2 1 383.580 3.988 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CC3(c4ccccc4)CCOCC3)C2)C1 ZINC001208222364 1034811563 /nfs/dbraw/zinc/81/15/63/1034811563.db2.gz FZKJHVNKLVSJDS-HSZRJFAPSA-N 2 1 386.580 3.558 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CC3(c4ccccc4)CCOCC3)C2)C1 ZINC001208222364 1034811573 /nfs/dbraw/zinc/81/15/73/1034811573.db2.gz FZKJHVNKLVSJDS-HSZRJFAPSA-N 2 1 386.580 3.558 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CC3(c4ccccc4)CCOCC3)C2)C1 ZINC001208222364 1034811584 /nfs/dbraw/zinc/81/15/84/1034811584.db2.gz FZKJHVNKLVSJDS-HSZRJFAPSA-N 2 1 386.580 3.558 20 0 GHADMP [NH3+]C1CCN(c2cccc(F)c2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001160072074 1034849517 /nfs/dbraw/zinc/84/95/17/1034849517.db2.gz QTGOLRCTWFHZIA-UHFFFAOYSA-N 2 1 380.511 3.955 20 0 GHADMP CSc1ccccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001231782255 1034905634 /nfs/dbraw/zinc/90/56/34/1034905634.db2.gz FLFITQIILAGXNZ-HKBOAZHASA-N 2 1 384.593 3.978 20 0 GHADMP CSc1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001231782255 1034905636 /nfs/dbraw/zinc/90/56/36/1034905636.db2.gz FLFITQIILAGXNZ-HKBOAZHASA-N 2 1 384.593 3.978 20 0 GHADMP CSc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001231782255 1034905641 /nfs/dbraw/zinc/90/56/41/1034905641.db2.gz FLFITQIILAGXNZ-HKBOAZHASA-N 2 1 384.593 3.978 20 0 GHADMP CSc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001231782255 1034905643 /nfs/dbraw/zinc/90/56/43/1034905643.db2.gz FLFITQIILAGXNZ-HKBOAZHASA-N 2 1 384.593 3.978 20 0 GHADMP CSc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001231784265 1034907380 /nfs/dbraw/zinc/90/73/80/1034907380.db2.gz DZYLXKZPZPXLMU-TZIWHRDSSA-N 2 1 383.561 3.526 20 0 GHADMP CSc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001231784265 1034907384 /nfs/dbraw/zinc/90/73/84/1034907384.db2.gz DZYLXKZPZPXLMU-TZIWHRDSSA-N 2 1 383.561 3.526 20 0 GHADMP CSc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001231784265 1034907385 /nfs/dbraw/zinc/90/73/85/1034907385.db2.gz DZYLXKZPZPXLMU-TZIWHRDSSA-N 2 1 383.561 3.526 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001208602879 1034952028 /nfs/dbraw/zinc/95/20/28/1034952028.db2.gz QAQRUPQURWABKC-IBGZPJMESA-N 2 1 379.589 3.830 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)C1 ZINC001208609041 1034953233 /nfs/dbraw/zinc/95/32/33/1034953233.db2.gz TVMVEEPSRGNHJQ-HXUWFJFHSA-N 2 1 383.580 3.593 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 ZINC001208608826 1034953392 /nfs/dbraw/zinc/95/33/92/1034953392.db2.gz WXUPJGGCKSDKNY-CQSZACIVSA-N 2 1 390.877 3.984 20 0 GHADMP COc1cccc2c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c[nH]c21 ZINC001231895372 1034973630 /nfs/dbraw/zinc/97/36/30/1034973630.db2.gz ONLIYPQYORMILZ-UHFFFAOYSA-N 2 1 395.503 3.637 20 0 GHADMP COc1cccc2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c[nH]c21 ZINC001231895372 1034973632 /nfs/dbraw/zinc/97/36/32/1034973632.db2.gz ONLIYPQYORMILZ-UHFFFAOYSA-N 2 1 395.503 3.637 20 0 GHADMP [NH3+]C12CCC(C(=O)N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)(CC1)CC2 ZINC001160456600 1034979978 /nfs/dbraw/zinc/97/99/78/1034979978.db2.gz NLYAEHZHXFEQSJ-UHFFFAOYSA-N 2 1 398.938 3.589 20 0 GHADMP [NH3+]C[C@]1(Nc2ncnc3cc(-c4ccc(Cl)cc4)sc32)C[NH+]2CCC1CC2 ZINC001160517888 1034993390 /nfs/dbraw/zinc/99/33/90/1034993390.db2.gz DYZOZAVIFGFQNJ-FQEVSTJZSA-N 2 1 399.951 3.847 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1OC ZINC001208758583 1035003255 /nfs/dbraw/zinc/00/32/55/1035003255.db2.gz ZWWKKVJBRNBVRY-UHFFFAOYSA-N 2 1 384.520 3.827 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(C)nc(C)c4)CC3)C2)c1 ZINC001231999523 1035033956 /nfs/dbraw/zinc/03/39/56/1035033956.db2.gz VWVZOJCCTAYTQM-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)nc(C)c4)CC3)C2)c1 ZINC001231999523 1035033958 /nfs/dbraw/zinc/03/39/58/1035033958.db2.gz VWVZOJCCTAYTQM-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232012887 1035042324 /nfs/dbraw/zinc/04/23/24/1035042324.db2.gz VWGDCROSEAXIKK-RXVVDRJESA-N 2 1 388.487 3.734 20 0 GHADMP Fc1cccnc1OC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015260 1035046028 /nfs/dbraw/zinc/04/60/28/1035046028.db2.gz RXORATQJIARHJB-RBBKRZOGSA-N 2 1 396.466 3.547 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001160737973 1035049262 /nfs/dbraw/zinc/04/92/62/1035049262.db2.gz APWADAPUJDGFHD-FCHUYYIVSA-N 2 1 375.601 3.944 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001160737973 1035049272 /nfs/dbraw/zinc/04/92/72/1035049272.db2.gz APWADAPUJDGFHD-FCHUYYIVSA-N 2 1 375.601 3.944 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1)Cc1cccc2ccccc21 ZINC001160848050 1035078249 /nfs/dbraw/zinc/07/82/49/1035078249.db2.gz CNCAZWUKIZZDOA-RDGATRHJSA-N 2 1 399.538 3.541 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1)Cc1cccc2ccccc21 ZINC001160848050 1035078257 /nfs/dbraw/zinc/07/82/57/1035078257.db2.gz CNCAZWUKIZZDOA-RDGATRHJSA-N 2 1 399.538 3.541 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930777 1035093657 /nfs/dbraw/zinc/09/36/57/1035093657.db2.gz DPSZMZSRBHELOM-RLLQIKCJSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930777 1035093663 /nfs/dbraw/zinc/09/36/63/1035093663.db2.gz DPSZMZSRBHELOM-RLLQIKCJSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930777 1035093670 /nfs/dbraw/zinc/09/36/70/1035093670.db2.gz DPSZMZSRBHELOM-RLLQIKCJSA-N 2 1 384.486 3.924 20 0 GHADMP COc1ccc(CC[N@H+](C[C@@H](C)O)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)cc1 ZINC001208933585 1035097307 /nfs/dbraw/zinc/09/73/07/1035097307.db2.gz WHUPJAWDFUNIGU-ZJSXRUAMSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@@H](C)O)C[C@@H]2CCC[NH+](Cc3ccccc3)C2)cc1 ZINC001208933585 1035097314 /nfs/dbraw/zinc/09/73/14/1035097314.db2.gz WHUPJAWDFUNIGU-ZJSXRUAMSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[NH+](C[C@@H](C)O)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001208933585 1035097323 /nfs/dbraw/zinc/09/73/23/1035097323.db2.gz WHUPJAWDFUNIGU-ZJSXRUAMSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[NH+](C[C@@H](C)O)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001208933585 1035097333 /nfs/dbraw/zinc/09/73/33/1035097333.db2.gz WHUPJAWDFUNIGU-ZJSXRUAMSA-N 2 1 396.575 3.833 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940544 1035109380 /nfs/dbraw/zinc/10/93/80/1035109380.db2.gz DKAUHBGUNYZJIF-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940544 1035109384 /nfs/dbraw/zinc/10/93/84/1035109384.db2.gz DKAUHBGUNYZJIF-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940544 1035109391 /nfs/dbraw/zinc/10/93/91/1035109391.db2.gz DKAUHBGUNYZJIF-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP O=C1N(CC2CC2)CCC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208942106 1035112128 /nfs/dbraw/zinc/11/21/28/1035112128.db2.gz GSSDZMUEBYDQGA-HSZRJFAPSA-N 2 1 395.591 3.623 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942625 1035112331 /nfs/dbraw/zinc/11/23/31/1035112331.db2.gz QPAHZJWQQSFBNK-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942625 1035112336 /nfs/dbraw/zinc/11/23/36/1035112336.db2.gz QPAHZJWQQSFBNK-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942625 1035112339 /nfs/dbraw/zinc/11/23/39/1035112339.db2.gz QPAHZJWQQSFBNK-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3CN(C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943892 1035113831 /nfs/dbraw/zinc/11/38/31/1035113831.db2.gz WFNMEPNXTONERI-VSKRKVRLSA-N 2 1 381.589 3.634 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3CN(C[C@@H]4CC[NH+](Cc5ccccc5)C4)C[C@H]3C2)c1 ZINC001208943892 1035113838 /nfs/dbraw/zinc/11/38/38/1035113838.db2.gz WFNMEPNXTONERI-VSKRKVRLSA-N 2 1 381.589 3.634 20 0 GHADMP c1nc(-c2cccnc2)oc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001232132322 1035114416 /nfs/dbraw/zinc/11/44/16/1035114416.db2.gz QJACYCNAGGFZRO-UHFFFAOYSA-N 2 1 389.503 3.620 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208945569 1035117970 /nfs/dbraw/zinc/11/79/70/1035117970.db2.gz RCCWXUJVKSBKJW-QHCPKHFHSA-N 2 1 391.559 3.747 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC001208945569 1035117975 /nfs/dbraw/zinc/11/79/75/1035117975.db2.gz RCCWXUJVKSBKJW-QHCPKHFHSA-N 2 1 391.559 3.747 20 0 GHADMP O=C(c1ccccc1)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208945569 1035117982 /nfs/dbraw/zinc/11/79/82/1035117982.db2.gz RCCWXUJVKSBKJW-QHCPKHFHSA-N 2 1 391.559 3.747 20 0 GHADMP O=C(c1ccccc1)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208945569 1035117990 /nfs/dbraw/zinc/11/79/90/1035117990.db2.gz RCCWXUJVKSBKJW-QHCPKHFHSA-N 2 1 391.559 3.747 20 0 GHADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145999 1035124103 /nfs/dbraw/zinc/12/41/03/1035124103.db2.gz GAQRWZWJPOQLQO-KXBFYZLASA-N 2 1 379.520 3.765 20 0 GHADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145999 1035124109 /nfs/dbraw/zinc/12/41/09/1035124109.db2.gz GAQRWZWJPOQLQO-KXBFYZLASA-N 2 1 379.520 3.765 20 0 GHADMP CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062905 1035129697 /nfs/dbraw/zinc/12/96/97/1035129697.db2.gz LAJBTABSSGOXMU-KVPLUYHFSA-N 2 1 393.522 3.507 20 0 GHADMP O=C(NC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC001208957552 1035130489 /nfs/dbraw/zinc/13/04/89/1035130489.db2.gz LOASXUOTRADGGK-FQEVSTJZSA-N 2 1 395.522 3.542 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CCN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)[C@@H]3C2)cc1 ZINC001208960165 1035131239 /nfs/dbraw/zinc/13/12/39/1035131239.db2.gz USRRMYFILXTILA-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001208960165 1035131247 /nfs/dbraw/zinc/13/12/47/1035131247.db2.gz USRRMYFILXTILA-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)C2)cc1 ZINC001208960165 1035131252 /nfs/dbraw/zinc/13/12/52/1035131252.db2.gz USRRMYFILXTILA-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208962171 1035133186 /nfs/dbraw/zinc/13/31/86/1035133186.db2.gz IFFSGDNMFUGUNH-DXBBTUNJSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208962171 1035133192 /nfs/dbraw/zinc/13/31/92/1035133192.db2.gz IFFSGDNMFUGUNH-DXBBTUNJSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC001208962171 1035133195 /nfs/dbraw/zinc/13/31/95/1035133195.db2.gz IFFSGDNMFUGUNH-DXBBTUNJSA-N 2 1 399.579 3.744 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)CC1 ZINC001209006542 1035146631 /nfs/dbraw/zinc/14/66/31/1035146631.db2.gz PQRUGYXPXSCGST-AQYVVDRMSA-N 2 1 399.579 3.739 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)CC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001209016495 1035151336 /nfs/dbraw/zinc/15/13/36/1035151336.db2.gz XBNACFPJFNEYLF-IBGZPJMESA-N 2 1 397.604 3.945 20 0 GHADMP Fc1cccc2c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)ccnc12 ZINC001232206255 1035161013 /nfs/dbraw/zinc/16/10/13/1035161013.db2.gz MCYQXUKPVKGBRB-UHFFFAOYSA-N 2 1 395.478 3.834 20 0 GHADMP Fc1cccc2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)ccnc12 ZINC001232206255 1035161019 /nfs/dbraw/zinc/16/10/19/1035161019.db2.gz MCYQXUKPVKGBRB-UHFFFAOYSA-N 2 1 395.478 3.834 20 0 GHADMP COc1cccc(C[N@@H+]2CC[C@H](Nc3[nH+]ccc4cc(OC)c(OC)cc43)C2)c1 ZINC001161192911 1035174167 /nfs/dbraw/zinc/17/41/67/1035174167.db2.gz MVNKHXZXQQBXNH-SFHVURJKSA-N 2 1 393.487 3.947 20 0 GHADMP COc1cccc(C[N@H+]2CC[C@H](Nc3[nH+]ccc4cc(OC)c(OC)cc43)C2)c1 ZINC001161192911 1035174172 /nfs/dbraw/zinc/17/41/72/1035174172.db2.gz MVNKHXZXQQBXNH-SFHVURJKSA-N 2 1 393.487 3.947 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3ncc4c(n3)CC[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161458567 1035235193 /nfs/dbraw/zinc/23/51/93/1035235193.db2.gz VHSBONQOSMVTIV-UPVQGACJSA-N 2 1 399.542 3.593 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3cc(C4C[NH2+]C4)ncn3)[C@H](c3ccccc3)C2)cc1 ZINC001161463231 1035236308 /nfs/dbraw/zinc/23/63/08/1035236308.db2.gz TZCKSROHOAULGF-XZOQPEGZSA-N 2 1 399.542 3.634 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N3CCC([NH3+])(CC4CCC4)CC3)n2)cc1 ZINC001161576905 1035262812 /nfs/dbraw/zinc/26/28/12/1035262812.db2.gz BRIKICKUAUNLTP-UHFFFAOYSA-N 2 1 395.551 3.610 20 0 GHADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc(C)c1Br ZINC001248194780 1035624572 /nfs/dbraw/zinc/62/45/72/1035624572.db2.gz NFTBTQGXWQIDCM-AWEZNQCLSA-N 2 1 381.318 3.848 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3c4ccoc4ccc3F)CC[C@@H]21 ZINC001248531009 1035936691 /nfs/dbraw/zinc/93/66/91/1035936691.db2.gz ICANOCPCHYIRLA-WWMYMODYSA-N 2 1 397.498 3.537 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1CC)c1ccc(Cl)cc1 ZINC001248622410 1035997864 /nfs/dbraw/zinc/99/78/64/1035997864.db2.gz SPOWZBAHTKQTDJ-OALUTQOASA-N 2 1 380.964 3.506 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1 ZINC001248622410 1035997866 /nfs/dbraw/zinc/99/78/66/1035997866.db2.gz SPOWZBAHTKQTDJ-OALUTQOASA-N 2 1 380.964 3.506 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC001248622410 1035997868 /nfs/dbraw/zinc/99/78/68/1035997868.db2.gz SPOWZBAHTKQTDJ-OALUTQOASA-N 2 1 380.964 3.506 20 0 GHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(-c3ccc(C[NH2+]C)cc3)c2c1C ZINC001242992385 1036005912 /nfs/dbraw/zinc/00/59/12/1036005912.db2.gz UCEYEUPTWACEBM-UHFFFAOYSA-N 2 1 398.532 3.624 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2cc(Cl)ccc2Br)no1 ZINC001248896157 1036227208 /nfs/dbraw/zinc/22/72/08/1036227208.db2.gz MJWUSPICJNMUMP-ZDUSSCGKSA-N 2 1 385.693 3.542 20 0 GHADMP CC(C)(C)[C@]1(C[NH2+]CCCCCS(C)(=O)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462127522 1070018980 /nfs/dbraw/zinc/01/89/80/1070018980.db2.gz LIICZBTUJQSELF-QFIPXVFZSA-N 2 1 394.625 3.729 20 0 GHADMP COCC[N@@H+](C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C)C1CC[NH2+]CC1 ZINC001246044031 1037156771 /nfs/dbraw/zinc/15/67/71/1037156771.db2.gz FDVGPBMORNYUNW-QFIPXVFZSA-N 2 1 397.003 3.750 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC001246065797 1037177930 /nfs/dbraw/zinc/17/79/30/1037177930.db2.gz JRHJWDRVMBEHBK-UBFVSLLYSA-N 2 1 399.623 3.776 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001246065797 1037177946 /nfs/dbraw/zinc/17/79/46/1037177946.db2.gz JRHJWDRVMBEHBK-UBFVSLLYSA-N 3 1 399.623 3.776 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC001246065797 1037177974 /nfs/dbraw/zinc/17/79/74/1037177974.db2.gz JRHJWDRVMBEHBK-UBFVSLLYSA-N 3 1 399.623 3.776 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](CC2CCCCC2)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001246065797 1037177987 /nfs/dbraw/zinc/17/79/87/1037177987.db2.gz JRHJWDRVMBEHBK-UBFVSLLYSA-N 3 1 399.623 3.776 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](CC2CCCCC2)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001246065797 1037178000 /nfs/dbraw/zinc/17/80/00/1037178000.db2.gz JRHJWDRVMBEHBK-UBFVSLLYSA-N 3 1 399.623 3.776 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001246069590 1037183105 /nfs/dbraw/zinc/18/31/05/1037183105.db2.gz KSKVGBPQBZMREC-HKUYNNGSSA-N 2 1 393.531 3.525 20 0 GHADMP [NH3+]C1CC(N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246112781 1037199257 /nfs/dbraw/zinc/19/92/57/1037199257.db2.gz OEGATVRUVRQQOK-IJHFPEKYSA-N 2 1 375.560 3.831 20 0 GHADMP COc1ccc2c(c1)C1(C[C@H]2N[C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]CC1 ZINC001246131072 1037207682 /nfs/dbraw/zinc/20/76/82/1037207682.db2.gz WXJGPQJEAXCAHA-XMSQKQJNSA-N 2 1 383.580 3.806 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162454 1037217750 /nfs/dbraw/zinc/21/77/50/1037217750.db2.gz YRTAKENFXZACFF-ATZDWAIDSA-N 2 1 381.358 3.661 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246177122 1037224464 /nfs/dbraw/zinc/22/44/64/1037224464.db2.gz ZAXSWTGLTYNZEL-UDEADWOUSA-N 2 1 389.587 3.850 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246177122 1037224478 /nfs/dbraw/zinc/22/44/78/1037224478.db2.gz ZAXSWTGLTYNZEL-UDEADWOUSA-N 3 1 389.587 3.850 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC[NH2+]2)cc1 ZINC001246177122 1037224494 /nfs/dbraw/zinc/22/44/94/1037224494.db2.gz ZAXSWTGLTYNZEL-UDEADWOUSA-N 3 1 389.587 3.850 20 0 GHADMP C[NH2+]CC[C@@H](C)NCc1ccc(OCCCCCOc2ccc(C[NH3+])cc2)cc1 ZINC001246199073 1037235804 /nfs/dbraw/zinc/23/58/04/1037235804.db2.gz HQKKGCSKYBDGKB-HXUWFJFHSA-N 2 1 399.579 3.861 20 0 GHADMP C[C@@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCNCC1(F)F ZINC001246218577 1037243229 /nfs/dbraw/zinc/24/32/29/1037243229.db2.gz BOSUSCPCCUIHGE-BURNTYAHSA-N 2 1 377.523 3.797 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCc2ccccc2)cc1 ZINC001246257132 1037256793 /nfs/dbraw/zinc/25/67/93/1037256793.db2.gz UEFKAGJXLCQMTK-GNXKAVGDSA-N 2 1 394.515 3.742 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246283640 1037275652 /nfs/dbraw/zinc/27/56/52/1037275652.db2.gz WRVWHFUDFNUURK-GNBUJSLZSA-N 2 1 382.589 3.754 20 0 GHADMP OC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001246311987 1037289764 /nfs/dbraw/zinc/28/97/64/1037289764.db2.gz BJIQABUICQLUNR-HSALFYBXSA-N 2 1 378.438 3.692 20 0 GHADMP COc1cccc(CC2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC[NH2+]CC2)c1 ZINC001246381755 1037341041 /nfs/dbraw/zinc/34/10/41/1037341041.db2.gz VIJKBSYKZKALSO-OAQYLSRUSA-N 3 1 385.596 3.604 20 0 GHADMP COc1cccc(CC2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]CC2)c1 ZINC001246381755 1037341062 /nfs/dbraw/zinc/34/10/62/1037341062.db2.gz VIJKBSYKZKALSO-OAQYLSRUSA-N 3 1 385.596 3.604 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+]C2C[C@H](C)[NH2+][C@@H](C)C2)C(C)C)cc2ccccc21 ZINC001246482752 1037428726 /nfs/dbraw/zinc/42/87/26/1037428726.db2.gz OBNCMLCBTKXRCK-WCJKSRRJSA-N 2 1 383.536 3.930 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246500264 1037443570 /nfs/dbraw/zinc/44/35/70/1037443570.db2.gz HIFIJMLOIPXSIO-YOEHRIQHSA-N 2 1 399.373 3.809 20 0 GHADMP [NH3+][C@H]1CN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[C@@H]1F ZINC001246537391 1037471540 /nfs/dbraw/zinc/47/15/40/1037471540.db2.gz WGFWZEGMQHJWMT-AMGAHSPLSA-N 2 1 393.550 3.732 20 0 GHADMP COc1cccc(C(=O)C2CC[NH+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246593637 1037491772 /nfs/dbraw/zinc/49/17/72/1037491772.db2.gz JDECLQSPNWCJRA-PKTZIBPZSA-N 2 1 392.543 3.953 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H](C)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC001246604916 1037498501 /nfs/dbraw/zinc/49/85/01/1037498501.db2.gz SDVVZYQUNSKWCU-CRAIPNDOSA-N 2 1 398.469 3.644 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246617729 1037505476 /nfs/dbraw/zinc/50/54/76/1037505476.db2.gz FXIHFJFKXUSHKA-ZLNRFVROSA-N 3 1 385.596 3.566 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246617729 1037505493 /nfs/dbraw/zinc/50/54/93/1037505493.db2.gz FXIHFJFKXUSHKA-ZLNRFVROSA-N 3 1 385.596 3.566 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)C2 ZINC001246618673 1037508781 /nfs/dbraw/zinc/50/87/81/1037508781.db2.gz ITMORKYDCPDBDZ-WOJBJXKFSA-N 2 1 383.333 3.605 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)C2 ZINC001246618673 1037508800 /nfs/dbraw/zinc/50/88/00/1037508800.db2.gz ITMORKYDCPDBDZ-WOJBJXKFSA-N 2 1 383.333 3.605 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246620274 1037511351 /nfs/dbraw/zinc/51/13/51/1037511351.db2.gz RELWCOSISVWSFN-WLXPTCNVSA-N 3 1 397.607 3.712 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246620253 1037512746 /nfs/dbraw/zinc/51/27/46/1037512746.db2.gz QPJVQVYVLJTEPE-SGNDLWITSA-N 2 1 397.607 3.712 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246629495 1037516013 /nfs/dbraw/zinc/51/60/13/1037516013.db2.gz OEVBYMPLSQYAGU-NJEKYYFSSA-N 2 1 390.955 3.769 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001246632526 1037517710 /nfs/dbraw/zinc/51/77/10/1037517710.db2.gz WTOIQCFHPCLJLQ-HXUWFJFHSA-N 2 1 382.935 3.953 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001246632526 1037517719 /nfs/dbraw/zinc/51/77/19/1037517719.db2.gz WTOIQCFHPCLJLQ-HXUWFJFHSA-N 2 1 382.935 3.953 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)CC1 ZINC001246632559 1037519118 /nfs/dbraw/zinc/51/91/18/1037519118.db2.gz XHZJEQWJNLCAAE-UHFFFAOYSA-N 3 1 385.596 3.785 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2CCc3ccc(OC)cc3C23CCNCC3)CC1 ZINC001246632559 1037519141 /nfs/dbraw/zinc/51/91/41/1037519141.db2.gz XHZJEQWJNLCAAE-UHFFFAOYSA-N 2 1 385.596 3.785 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCc3ccc(OC)cc3C23CCNCC3)CC1 ZINC001246632559 1037519160 /nfs/dbraw/zinc/51/91/60/1037519160.db2.gz XHZJEQWJNLCAAE-UHFFFAOYSA-N 2 1 385.596 3.785 20 0 GHADMP C[C@@H]1C[C@@H](N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC001246637141 1037522782 /nfs/dbraw/zinc/52/27/82/1037522782.db2.gz OQUJWCOBTMALDF-QRQLOZEOSA-N 2 1 381.486 3.798 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246645835 1037525342 /nfs/dbraw/zinc/52/53/42/1037525342.db2.gz WLNDBYMISDYFQJ-IRQNMHNUSA-N 2 1 390.955 3.911 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246645835 1037525348 /nfs/dbraw/zinc/52/53/48/1037525348.db2.gz WLNDBYMISDYFQJ-IRQNMHNUSA-N 2 1 390.955 3.911 20 0 GHADMP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@H]1CC[NH2+]C2(CCCCC2)C1)C1CCCC1 ZINC001246696516 1037552309 /nfs/dbraw/zinc/55/23/09/1037552309.db2.gz SBLWUUGDFONTIK-FNAHDJPLSA-N 2 1 376.585 3.880 20 0 GHADMP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@H]1CC[NH2+]C2(CCCCC2)C1)C1CCCC1 ZINC001246696516 1037552321 /nfs/dbraw/zinc/55/23/21/1037552321.db2.gz SBLWUUGDFONTIK-FNAHDJPLSA-N 2 1 376.585 3.880 20 0 GHADMP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2[C@@H]1CC[NH2+]C2(CCCCC2)C1)C1CCCC1 ZINC001246696515 1037552824 /nfs/dbraw/zinc/55/28/24/1037552824.db2.gz SBLWUUGDFONTIK-CIAFKFPVSA-N 2 1 376.585 3.880 20 0 GHADMP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2[C@@H]1CC[NH2+]C2(CCCCC2)C1)C1CCCC1 ZINC001246696515 1037552843 /nfs/dbraw/zinc/55/28/43/1037552843.db2.gz SBLWUUGDFONTIK-CIAFKFPVSA-N 2 1 376.585 3.880 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC[NH2+]1 ZINC001246697557 1037552984 /nfs/dbraw/zinc/55/29/84/1037552984.db2.gz VMIVXVGOHXEBCO-RXVVDRJESA-N 2 1 382.527 3.850 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC[NH2+]1 ZINC001246698253 1037556151 /nfs/dbraw/zinc/55/61/51/1037556151.db2.gz WZEQCJKFQHEUKS-VQTJNVASSA-N 2 1 382.527 3.994 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC[NH2+]1 ZINC001246698250 1037556551 /nfs/dbraw/zinc/55/65/51/1037556551.db2.gz WZEQCJKFQHEUKS-PMACEKPBSA-N 2 1 382.527 3.994 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+](C2CCC4(CCC[NH2+]C4)CC2)C3)nc1 ZINC001246708351 1037561709 /nfs/dbraw/zinc/56/17/09/1037561709.db2.gz FKMPFCWWKBGJAD-FULISQOKSA-N 2 1 399.579 3.644 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246714655 1037566585 /nfs/dbraw/zinc/56/65/85/1037566585.db2.gz MYBTYNRZTDMKPJ-MZKRTTBSSA-N 2 1 395.572 3.540 20 0 GHADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)C[NH2+]1 ZINC001246719058 1037569329 /nfs/dbraw/zinc/56/93/29/1037569329.db2.gz JXRNNINHPUXOHD-QYAKYFNYSA-N 2 1 395.572 3.711 20 0 GHADMP C[C@H]1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)C[NH2+]1 ZINC001246719058 1037569345 /nfs/dbraw/zinc/56/93/45/1037569345.db2.gz JXRNNINHPUXOHD-QYAKYFNYSA-N 2 1 395.572 3.711 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+]([C@H]2CCC4(C2)CC[NH2+]CC4)CCO3)c1 ZINC001246717427 1037570387 /nfs/dbraw/zinc/57/03/87/1037570387.db2.gz IIWAEZBQRPCABX-LADGPHEKSA-N 2 1 383.580 3.589 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)CC[NH2+]2)cc1 ZINC001246722749 1037571681 /nfs/dbraw/zinc/57/16/81/1037571681.db2.gz IMZXVAHIELTFSY-WBJOIXBTSA-N 2 1 391.559 3.926 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN([C@H]2CC[NH2+][C@@H](C(C)C)C2)CC3)c1 ZINC001246740676 1037582458 /nfs/dbraw/zinc/58/24/58/1037582458.db2.gz NSBDMEMUOYYSAQ-JTHBVZDNSA-N 2 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)CC3)c1 ZINC001246740676 1037582472 /nfs/dbraw/zinc/58/24/72/1037582472.db2.gz NSBDMEMUOYYSAQ-JTHBVZDNSA-N 3 1 385.596 3.760 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CC[NH2+][C@@H](C(C)C)C2)CC3)c1 ZINC001246740676 1037582489 /nfs/dbraw/zinc/58/24/89/1037582489.db2.gz NSBDMEMUOYYSAQ-JTHBVZDNSA-N 3 1 385.596 3.760 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCC[C@@]5(CC[NH2+]C5)C4)CC3)C2)cc1 ZINC001246747070 1037587492 /nfs/dbraw/zinc/58/74/92/1037587492.db2.gz NHENMDZMDAXOSZ-BJKOFHAPSA-N 3 1 397.607 3.584 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+]([C@H]4CCC[C@@]5(CC[NH2+]C5)C4)CC3)C2)cc1 ZINC001246747070 1037587501 /nfs/dbraw/zinc/58/75/01/1037587501.db2.gz NHENMDZMDAXOSZ-BJKOFHAPSA-N 2 1 397.607 3.584 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CCN[C@@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754994 1037596814 /nfs/dbraw/zinc/59/68/14/1037596814.db2.gz JAYLVPFTPLQEHR-UZKOGDIHSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754994 1037596828 /nfs/dbraw/zinc/59/68/28/1037596828.db2.gz JAYLVPFTPLQEHR-UZKOGDIHSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754994 1037596842 /nfs/dbraw/zinc/59/68/42/1037596842.db2.gz JAYLVPFTPLQEHR-UZKOGDIHSA-N 2 1 381.545 3.670 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756133 1037599729 /nfs/dbraw/zinc/59/97/29/1037599729.db2.gz MXMNKLNRTSFPLO-VABKMULXSA-N 2 1 389.559 3.521 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766904 1037610344 /nfs/dbraw/zinc/61/03/44/1037610344.db2.gz OVIZDUFSCBTNLV-HKOQEMOESA-N 2 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766904 1037610350 /nfs/dbraw/zinc/61/03/50/1037610350.db2.gz OVIZDUFSCBTNLV-HKOQEMOESA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766904 1037610357 /nfs/dbraw/zinc/61/03/57/1037610357.db2.gz OVIZDUFSCBTNLV-HKOQEMOESA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766904 1037610364 /nfs/dbraw/zinc/61/03/64/1037610364.db2.gz OVIZDUFSCBTNLV-HKOQEMOESA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766904 1037610374 /nfs/dbraw/zinc/61/03/74/1037610374.db2.gz OVIZDUFSCBTNLV-HKOQEMOESA-N 3 1 384.612 3.923 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246782856 1037623876 /nfs/dbraw/zinc/62/38/76/1037623876.db2.gz LMUYVBWAWNJXJN-OALUTQOASA-N 2 1 394.401 3.733 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246783146 1037623921 /nfs/dbraw/zinc/62/39/21/1037623921.db2.gz NRYAJDHFNNMOCC-ACDBMABISA-N 2 1 394.401 3.876 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246785200 1037626384 /nfs/dbraw/zinc/62/63/84/1037626384.db2.gz JTWOEWIUDCXWBG-IRLDBZIGSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246785200 1037626397 /nfs/dbraw/zinc/62/63/97/1037626397.db2.gz JTWOEWIUDCXWBG-IRLDBZIGSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246785200 1037626405 /nfs/dbraw/zinc/62/64/05/1037626405.db2.gz JTWOEWIUDCXWBG-IRLDBZIGSA-N 2 1 384.495 3.993 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)C[C@H](CC)[NH2+]1 ZINC001246817068 1037649503 /nfs/dbraw/zinc/64/95/03/1037649503.db2.gz IUROZEQKVSCQIB-BJWYYQGGSA-N 2 1 384.490 3.922 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246817753 1037650829 /nfs/dbraw/zinc/65/08/29/1037650829.db2.gz NJCSVZWOCQAYFO-SJORKVTESA-N 2 1 384.490 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]1 ZINC001246826079 1037658354 /nfs/dbraw/zinc/65/83/54/1037658354.db2.gz VYKLTVVJVNSCKQ-CVEARBPZSA-N 2 1 378.973 3.992 20 0 GHADMP C[N@@H+](C1CN(C(c2ccccc2)c2ccccc2)C1)C1CCC2(C[NH2+]C2)CC1 ZINC001246832667 1037663326 /nfs/dbraw/zinc/66/33/26/1037663326.db2.gz JYPSWPXUFFMTMQ-UHFFFAOYSA-N 2 1 375.560 3.924 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[N@H+]1Cc1ccccc1 ZINC001246831545 1037663427 /nfs/dbraw/zinc/66/34/27/1037663427.db2.gz CVPNEBWXXCNRQP-OYYPCOLYSA-N 2 1 381.539 3.852 20 0 GHADMP c1ccc(CN2CC[C@H]([N@@H+](Cc3ccccc3)[C@H]3CSC4(C[NH2+]C4)C3)C2)cc1 ZINC001246838941 1037668701 /nfs/dbraw/zinc/66/87/01/1037668701.db2.gz KMJYQJBFMHPBPR-XZOQPEGZSA-N 2 1 393.600 3.611 20 0 GHADMP C[NH2+]C1CCC([N@@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001246847515 1037671816 /nfs/dbraw/zinc/67/18/16/1037671816.db2.gz SSUSGCVGRVJFNQ-VNXZQDSDSA-N 2 1 378.516 3.687 20 0 GHADMP C[NH2+]C1CCC([N@H+]2Cc3ccccc3C[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001246847515 1037671833 /nfs/dbraw/zinc/67/18/33/1037671833.db2.gz SSUSGCVGRVJFNQ-VNXZQDSDSA-N 2 1 378.516 3.687 20 0 GHADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)ccc2c1 ZINC001246868157 1037686722 /nfs/dbraw/zinc/68/67/22/1037686722.db2.gz ALDXXHNZTJDCPB-JPYJTQIMSA-N 2 1 381.564 3.524 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCN1Cc1ccccc1 ZINC001246880069 1037694665 /nfs/dbraw/zinc/69/46/65/1037694665.db2.gz PJYIWUQGUOJPNQ-KTJVCJKDSA-N 2 1 375.560 3.513 20 0 GHADMP C[C@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246880069 1037694678 /nfs/dbraw/zinc/69/46/78/1037694678.db2.gz PJYIWUQGUOJPNQ-KTJVCJKDSA-N 2 1 375.560 3.513 20 0 GHADMP C[C@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246880069 1037694683 /nfs/dbraw/zinc/69/46/83/1037694683.db2.gz PJYIWUQGUOJPNQ-KTJVCJKDSA-N 2 1 375.560 3.513 20 0 GHADMP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001246882363 1037697492 /nfs/dbraw/zinc/69/74/92/1037697492.db2.gz HWHWSYBWYUUGFD-NQIIRXRSSA-N 2 1 382.573 3.976 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246891945 1037706362 /nfs/dbraw/zinc/70/63/62/1037706362.db2.gz YTTGXJSHCAWDOL-HXUWFJFHSA-N 2 1 389.971 3.943 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC[N@H+]([C@@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246891945 1037706373 /nfs/dbraw/zinc/70/63/73/1037706373.db2.gz YTTGXJSHCAWDOL-HXUWFJFHSA-N 2 1 389.971 3.943 20 0 GHADMP C[C@@H]1CC([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246929875 1037735346 /nfs/dbraw/zinc/73/53/46/1037735346.db2.gz IDJLTLAAYRICQC-REHUZNOOSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001278472597 1037739660 /nfs/dbraw/zinc/73/96/60/1037739660.db2.gz ROVMRRAPXKRYKU-HDICACEKSA-N 2 1 390.984 3.674 20 0 GHADMP CO[C@H]1CCC[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)C1 ZINC001246937363 1037741333 /nfs/dbraw/zinc/74/13/33/1037741333.db2.gz LNLSMGZBNXZODY-OALUTQOASA-N 2 1 381.358 3.961 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](N(Cc3cccnc3)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246954351 1037763508 /nfs/dbraw/zinc/76/35/08/1037763508.db2.gz YLNJRCAYYOXMFS-RPWUZVMVSA-N 2 1 378.564 3.690 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)C1 ZINC001246956763 1037769255 /nfs/dbraw/zinc/76/92/55/1037769255.db2.gz UUYKQUSTSLFYHG-LAUBAEHRSA-N 2 1 376.516 3.810 20 0 GHADMP COc1ccc(C[N@@H+](C2Cc3cc(F)c(F)cc3C2)C2CC[NH2+]CC2)cc1F ZINC001246958284 1037772921 /nfs/dbraw/zinc/77/29/21/1037772921.db2.gz DSHDKUMPVBSZAW-UHFFFAOYSA-N 2 1 390.449 3.834 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccc(C)cc2)C2CC[NH2+]CC2)c1 ZINC001246959880 1037777562 /nfs/dbraw/zinc/77/75/62/1037777562.db2.gz UFDAMSWUBDNEEH-IBGZPJMESA-N 2 1 380.532 3.967 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246962649 1037785717 /nfs/dbraw/zinc/78/57/17/1037785717.db2.gz JWHHGRLBLKTSLY-HZPDHXFCSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246962649 1037785736 /nfs/dbraw/zinc/78/57/36/1037785736.db2.gz JWHHGRLBLKTSLY-HZPDHXFCSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246966259 1037789148 /nfs/dbraw/zinc/78/91/48/1037789148.db2.gz VTXWUGDFBQVSDF-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP FC(F)(F)c1ccc([C@H]2CNCC[N@@H+]2C2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246971848 1037795554 /nfs/dbraw/zinc/79/55/54/1037795554.db2.gz BVEVWWCNQPCEHS-IOJLRTSASA-N 2 1 381.486 3.964 20 0 GHADMP FC(F)(F)c1ccc([C@H]2CNCC[N@H+]2C2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246971848 1037795570 /nfs/dbraw/zinc/79/55/70/1037795570.db2.gz BVEVWWCNQPCEHS-IOJLRTSASA-N 2 1 381.486 3.964 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246984562 1037808243 /nfs/dbraw/zinc/80/82/43/1037808243.db2.gz MBUBBPGLXRKTGE-XVAYZXCPSA-N 2 1 379.552 3.575 20 0 GHADMP CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@@H]1C ZINC001246985053 1037809411 /nfs/dbraw/zinc/80/94/11/1037809411.db2.gz AUWFZMRKGHXRAU-MHYXUVESSA-N 2 1 376.516 3.838 20 0 GHADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C[C@@H]1C ZINC001246985053 1037809428 /nfs/dbraw/zinc/80/94/28/1037809428.db2.gz AUWFZMRKGHXRAU-MHYXUVESSA-N 2 1 376.516 3.838 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246993972 1037817568 /nfs/dbraw/zinc/81/75/68/1037817568.db2.gz AGUHWPHJBHMRHZ-HFSMHLIXSA-N 2 1 376.928 3.725 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(Cl)cc2CC[N@H+]1[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246993972 1037817586 /nfs/dbraw/zinc/81/75/86/1037817586.db2.gz AGUHWPHJBHMRHZ-HFSMHLIXSA-N 2 1 376.928 3.725 20 0 GHADMP O=C(c1ccc(OC(F)(F)F)cc1)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001247001048 1037825876 /nfs/dbraw/zinc/82/58/76/1037825876.db2.gz ZBJKZUXTTJWKRF-SJPCQFCGSA-N 2 1 382.426 3.763 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+](C2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC001247007152 1037832892 /nfs/dbraw/zinc/83/28/92/1037832892.db2.gz BPFXBIUSNRZIQX-BZUAXINKSA-N 2 1 380.374 3.657 20 0 GHADMP COCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001232300057 1038044451 /nfs/dbraw/zinc/04/44/51/1038044451.db2.gz GREUJHJNTIOYMW-XWGVYQGASA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001232300057 1038044470 /nfs/dbraw/zinc/04/44/70/1038044470.db2.gz GREUJHJNTIOYMW-XWGVYQGASA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001232300057 1038044489 /nfs/dbraw/zinc/04/44/89/1038044489.db2.gz GREUJHJNTIOYMW-XWGVYQGASA-N 2 1 379.548 3.961 20 0 GHADMP COCc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001232300057 1038044502 /nfs/dbraw/zinc/04/45/02/1038044502.db2.gz GREUJHJNTIOYMW-XWGVYQGASA-N 2 1 379.548 3.961 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(F)ccc2N)CC3)c1 ZINC001232509322 1038278978 /nfs/dbraw/zinc/27/89/78/1038278978.db2.gz FXORFYSEXKSLCI-UHFFFAOYSA-N 2 1 383.511 3.905 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccnc2NC(=O)OC(C)(C)C)CC1 ZINC001232539292 1038306003 /nfs/dbraw/zinc/30/60/03/1038306003.db2.gz JCKPLIDHEJSIKD-UHFFFAOYSA-N 2 1 376.545 3.981 20 0 GHADMP CC(C)(C)c1cc(Br)ccc1-c1noc([C@H]([NH3+])CCCC[NH3+])n1 ZINC001247701920 1038340432 /nfs/dbraw/zinc/34/04/32/1038340432.db2.gz TUFXQIOMXWIHJZ-CQSZACIVSA-N 2 1 381.318 3.925 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4ncncc34)C[C@@H]21 ZINC001232656260 1038444121 /nfs/dbraw/zinc/44/41/21/1038444121.db2.gz ZGKRQDKUCCKLTA-UIAACRFSSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4ncncc34)C[C@@H]21 ZINC001232656260 1038444125 /nfs/dbraw/zinc/44/41/25/1038444125.db2.gz ZGKRQDKUCCKLTA-UIAACRFSSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4ncncc34)C[C@@H]21 ZINC001232656260 1038444127 /nfs/dbraw/zinc/44/41/27/1038444127.db2.gz ZGKRQDKUCCKLTA-UIAACRFSSA-N 2 1 381.549 3.704 20 0 GHADMP COC(=O)c1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)c[nH]c21 ZINC001232708577 1038506625 /nfs/dbraw/zinc/50/66/25/1038506625.db2.gz OUDHLXRTGZFXOW-WOJBJXKFSA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)ccn1 ZINC001232775672 1038547718 /nfs/dbraw/zinc/54/77/18/1038547718.db2.gz LUAGYBPEKZTQTN-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3-n3cccc3)C2)C1 ZINC001232912364 1038708471 /nfs/dbraw/zinc/70/84/71/1038708471.db2.gz VSYFPVPCWAFCDX-ISKFKSNPSA-N 2 1 379.548 3.658 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](Cc4nc5ccccn5n4)CC3)C2)cc1 ZINC001233072680 1038837240 /nfs/dbraw/zinc/83/72/40/1038837240.db2.gz VGANEKLMNWSRTM-UHFFFAOYSA-N 2 1 389.547 3.916 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4nc5ccccn5n4)CC3)C2)cc1 ZINC001233072680 1038837260 /nfs/dbraw/zinc/83/72/60/1038837260.db2.gz VGANEKLMNWSRTM-UHFFFAOYSA-N 2 1 389.547 3.916 20 0 GHADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H](O)COCc3ccccc3)C[C@@H]21 ZINC001252281809 1038922973 /nfs/dbraw/zinc/92/29/73/1038922973.db2.gz MEVNBXOENIHYGV-VDVKDMFPSA-N 2 1 394.559 3.675 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H](O)COCc3ccccc3)C[C@@H]21 ZINC001252281809 1038922978 /nfs/dbraw/zinc/92/29/78/1038922978.db2.gz MEVNBXOENIHYGV-VDVKDMFPSA-N 2 1 394.559 3.675 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H](O)COCc3ccccc3)C[C@@H]21 ZINC001252281809 1038922981 /nfs/dbraw/zinc/92/29/81/1038922981.db2.gz MEVNBXOENIHYGV-VDVKDMFPSA-N 2 1 394.559 3.675 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H](O)COCc3ccccc3)C[C@@H]21 ZINC001252281809 1038922989 /nfs/dbraw/zinc/92/29/89/1038922989.db2.gz MEVNBXOENIHYGV-VDVKDMFPSA-N 2 1 394.559 3.675 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC001252697391 1039086034 /nfs/dbraw/zinc/08/60/34/1039086034.db2.gz ZGXNURAXSZROTB-SIKLNZKXSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC001252697391 1039086056 /nfs/dbraw/zinc/08/60/56/1039086056.db2.gz ZGXNURAXSZROTB-SIKLNZKXSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC001252697391 1039086076 /nfs/dbraw/zinc/08/60/76/1039086076.db2.gz ZGXNURAXSZROTB-SIKLNZKXSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1csc2ccccc21 ZINC001252931019 1039269029 /nfs/dbraw/zinc/26/90/29/1039269029.db2.gz GFSPKTXSOUWBBQ-HOTGVXAUSA-N 2 1 376.570 3.534 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1csc2ccccc21 ZINC001252931019 1039269035 /nfs/dbraw/zinc/26/90/35/1039269035.db2.gz GFSPKTXSOUWBBQ-HOTGVXAUSA-N 2 1 376.570 3.534 20 0 GHADMP O[C@]1(C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948019 1039292440 /nfs/dbraw/zinc/29/24/40/1039292440.db2.gz IFNUOMCLYLDLIH-RPWUZVMVSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948019 1039292452 /nfs/dbraw/zinc/29/24/52/1039292452.db2.gz IFNUOMCLYLDLIH-RPWUZVMVSA-N 2 1 398.522 3.520 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc5nc(Cl)ccc5c4)C[C@H]3C2)cn1 ZINC001233443347 1039325054 /nfs/dbraw/zinc/32/50/54/1039325054.db2.gz AGPIRKUOHCAJMT-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5nc(Cl)ccc5c4)C[C@H]3C2)cn1 ZINC001233443347 1039325072 /nfs/dbraw/zinc/32/50/72/1039325072.db2.gz AGPIRKUOHCAJMT-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5nc(Cl)ccc5c4)C[C@H]3C2)cn1 ZINC001233443347 1039325092 /nfs/dbraw/zinc/32/50/92/1039325092.db2.gz AGPIRKUOHCAJMT-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5nc(Cl)ccc5c4)C[C@H]3C2)cn1 ZINC001233443347 1039325112 /nfs/dbraw/zinc/32/51/12/1039325112.db2.gz AGPIRKUOHCAJMT-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5nc(Cl)ccc5c4)C[C@H]3C2)cn1 ZINC001233443347 1039325130 /nfs/dbraw/zinc/32/51/30/1039325130.db2.gz AGPIRKUOHCAJMT-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP Brc1sccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001233479007 1039370588 /nfs/dbraw/zinc/37/05/88/1039370588.db2.gz DVZDXNKSYISYNJ-UHFFFAOYSA-N 2 1 387.387 3.835 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@](C)(O)c2ccccc2)CC3)c1 ZINC001253100148 1039423470 /nfs/dbraw/zinc/42/34/70/1039423470.db2.gz MNMKUPXKPZUQRI-XMMPIXPASA-N 2 1 394.559 3.891 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001253104023 1039426708 /nfs/dbraw/zinc/42/67/08/1039426708.db2.gz OMWXGZYYIYUMAF-XOKHGSTOSA-N 2 1 382.346 3.629 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001233739660 1039579626 /nfs/dbraw/zinc/57/96/26/1039579626.db2.gz JTQNGTSGLOMFDQ-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001233739660 1039579639 /nfs/dbraw/zinc/57/96/39/1039579639.db2.gz JTQNGTSGLOMFDQ-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001233739660 1039579651 /nfs/dbraw/zinc/57/96/51/1039579651.db2.gz JTQNGTSGLOMFDQ-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)CN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001253394243 1039596847 /nfs/dbraw/zinc/59/68/47/1039596847.db2.gz JMZCSLLXLKHJFO-DNQXCXABSA-N 2 1 395.591 3.512 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001253767085 1039801436 /nfs/dbraw/zinc/80/14/36/1039801436.db2.gz SQKGZQRCNGJNRX-FQEVSTJZSA-N 2 1 394.991 3.678 20 0 GHADMP COc1ccc(C2=CC[N@@H+](CC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001254042024 1039971195 /nfs/dbraw/zinc/97/11/95/1039971195.db2.gz PVARJJNBZDZWBV-UHFFFAOYSA-N 2 1 392.543 3.811 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254279682 1040126861 /nfs/dbraw/zinc/12/68/61/1040126861.db2.gz GDGITLWRUVMQIY-SFHVURJKSA-N 2 1 386.337 3.859 20 0 GHADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001254391954 1040207562 /nfs/dbraw/zinc/20/75/62/1040207562.db2.gz PQOOAUZKHRPAKU-FQEVSTJZSA-N 2 1 392.613 3.618 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001254522459 1040296243 /nfs/dbraw/zinc/29/62/43/1040296243.db2.gz GGGZNLSJIDEGCT-HXUWFJFHSA-N 2 1 379.589 3.830 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521574 1040297148 /nfs/dbraw/zinc/29/71/48/1040297148.db2.gz VNWVEGDOUALTSJ-UXHICEINSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521574 1040297164 /nfs/dbraw/zinc/29/71/64/1040297164.db2.gz VNWVEGDOUALTSJ-UXHICEINSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521574 1040297177 /nfs/dbraw/zinc/29/71/77/1040297177.db2.gz VNWVEGDOUALTSJ-UXHICEINSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)CC1 ZINC001254523391 1040297243 /nfs/dbraw/zinc/29/72/43/1040297243.db2.gz SRFGNIGBICDZMY-VXKWHMMOSA-N 2 1 381.564 3.546 20 0 GHADMP Fc1ccc(N2CCC([NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)CC2)cc1 ZINC001254624788 1040397887 /nfs/dbraw/zinc/39/78/87/1040397887.db2.gz BVYZNPGHFQXHEP-QZTJIDSGSA-N 2 1 385.552 3.920 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234970995 1040472785 /nfs/dbraw/zinc/47/27/85/1040472785.db2.gz MSYRJEAWVFZVCH-YLJYHZDGSA-N 2 1 376.422 3.793 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234970995 1040472793 /nfs/dbraw/zinc/47/27/93/1040472793.db2.gz MSYRJEAWVFZVCH-YLJYHZDGSA-N 2 1 376.422 3.793 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001254731749 1040489925 /nfs/dbraw/zinc/48/99/25/1040489925.db2.gz MUMQJOBYHIJZQH-AKHDSKFASA-N 2 1 377.573 3.771 20 0 GHADMP FC(F)(F)c1cccc(Oc2cccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)c2)c1 ZINC001234995336 1040490438 /nfs/dbraw/zinc/49/04/38/1040490438.db2.gz VVUZLBIJVQECIQ-HXUWFJFHSA-N 2 1 391.437 3.635 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CCc1cccnc1OC(C)C)CC2 ZINC001235018064 1040506389 /nfs/dbraw/zinc/50/63/89/1040506389.db2.gz GJLUEWZUGIEXEQ-UHFFFAOYSA-N 2 1 395.547 3.557 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CCc1cccnc1OC(C)C)CC2 ZINC001235018064 1040506406 /nfs/dbraw/zinc/50/64/06/1040506406.db2.gz GJLUEWZUGIEXEQ-UHFFFAOYSA-N 2 1 395.547 3.557 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001235034341 1040526430 /nfs/dbraw/zinc/52/64/30/1040526430.db2.gz WUBUQUWLSSAIKD-IBGZPJMESA-N 2 1 377.410 3.833 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC001235034341 1040526454 /nfs/dbraw/zinc/52/64/54/1040526454.db2.gz WUBUQUWLSSAIKD-IBGZPJMESA-N 2 1 377.410 3.833 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)cc2)o1 ZINC001235058219 1040547429 /nfs/dbraw/zinc/54/74/29/1040547429.db2.gz WTASBEKDUIWDAB-RTBURBONSA-N 2 1 380.517 3.670 20 0 GHADMP Cc1nnc(-c2ccc(C[N@@H+]3C[C@H]4CN(Cc5cccs5)C[C@H]4C3)cc2)o1 ZINC001235058209 1040548033 /nfs/dbraw/zinc/54/80/33/1040548033.db2.gz WTASBEKDUIWDAB-KDURUIRLSA-N 2 1 380.517 3.670 20 0 GHADMP Cc1nnc(-c2ccc(CN3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)cc2)o1 ZINC001235058209 1040548056 /nfs/dbraw/zinc/54/80/56/1040548056.db2.gz WTASBEKDUIWDAB-KDURUIRLSA-N 2 1 380.517 3.670 20 0 GHADMP Cc1nnc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc2)o1 ZINC001235058209 1040548080 /nfs/dbraw/zinc/54/80/80/1040548080.db2.gz WTASBEKDUIWDAB-KDURUIRLSA-N 2 1 380.517 3.670 20 0 GHADMP Cc1nnc(-c2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc2)o1 ZINC001235058209 1040548083 /nfs/dbraw/zinc/54/80/83/1040548083.db2.gz WTASBEKDUIWDAB-KDURUIRLSA-N 2 1 380.517 3.670 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)cc2)o1 ZINC001235058209 1040548098 /nfs/dbraw/zinc/54/80/98/1040548098.db2.gz WTASBEKDUIWDAB-KDURUIRLSA-N 2 1 380.517 3.670 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)cc2)o1 ZINC001235058209 1040548107 /nfs/dbraw/zinc/54/81/07/1040548107.db2.gz WTASBEKDUIWDAB-KDURUIRLSA-N 2 1 380.517 3.670 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1cccc(N3CCCC3)c1)CC2 ZINC001235084969 1040571275 /nfs/dbraw/zinc/57/12/75/1040571275.db2.gz FSFUKVBJFZIIDQ-UHFFFAOYSA-N 2 1 393.579 3.528 20 0 GHADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CNCCO3)C2)cc1OCc1ccccc1 ZINC001235118045 1040607757 /nfs/dbraw/zinc/60/77/57/1040607757.db2.gz LQMRQSGJXGWYQF-DEOSSOPVSA-N 2 1 396.531 3.537 20 0 GHADMP Brc1ccc2n[nH]c(CN3CCC([C@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235226787 1040708057 /nfs/dbraw/zinc/70/80/57/1040708057.db2.gz FJOHYGSOSCGZBW-MRXNPFEDSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2n[nH]c(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235226787 1040708068 /nfs/dbraw/zinc/70/80/68/1040708068.db2.gz FJOHYGSOSCGZBW-MRXNPFEDSA-N 2 1 377.330 3.680 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254987740 1040709339 /nfs/dbraw/zinc/70/93/39/1040709339.db2.gz URCMLVJZVKBVTQ-SXLOBPIMSA-N 2 1 379.589 3.971 20 0 GHADMP [NH3+]Cc1ccc(-c2cncn2C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001254999167 1040720216 /nfs/dbraw/zinc/72/02/16/1040720216.db2.gz BZYNULPZORUURA-NOTZXAQLSA-N 2 1 388.515 3.613 20 0 GHADMP [NH3+]Cc1ccc(-c2cncn2C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001254999167 1040720228 /nfs/dbraw/zinc/72/02/28/1040720228.db2.gz BZYNULPZORUURA-NOTZXAQLSA-N 2 1 388.515 3.613 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235255631 1040737249 /nfs/dbraw/zinc/73/72/49/1040737249.db2.gz XFALNCVKDACMRM-ISKFKSNPSA-N 2 1 378.516 3.514 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235255631 1040737261 /nfs/dbraw/zinc/73/72/61/1040737261.db2.gz XFALNCVKDACMRM-ISKFKSNPSA-N 2 1 378.516 3.514 20 0 GHADMP OCC1([NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255069957 1040763358 /nfs/dbraw/zinc/76/33/58/1040763358.db2.gz ROODOVOUBKFWAU-JBRSBNLGSA-N 2 1 376.544 3.866 20 0 GHADMP [NH3+]CCc1nc(-c2ccccc2)nn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255126157 1040820143 /nfs/dbraw/zinc/82/01/43/1040820143.db2.gz KXFOZAIPFNRJMR-KOUNCHBCSA-N 2 1 387.531 3.814 20 0 GHADMP CC(C)(C)OC(=O)NCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255130820 1040825894 /nfs/dbraw/zinc/82/58/94/1040825894.db2.gz AZMCIBKYQXLXPR-ACDBMABISA-N 2 1 385.552 3.829 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccccc3-c3ccc(F)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235353267 1040829979 /nfs/dbraw/zinc/82/99/79/1040829979.db2.gz XSNGUYDFCVZBBJ-RDPSFJRHSA-N 2 1 396.506 3.857 20 0 GHADMP CC(C)(C)OC(=O)NC12CC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)(C1)C2 ZINC001255135011 1040835881 /nfs/dbraw/zinc/83/58/81/1040835881.db2.gz FGJIHNSDKPOIEI-MTKCUGMKSA-N 2 1 397.563 3.971 20 0 GHADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255140860 1040847040 /nfs/dbraw/zinc/84/70/40/1040847040.db2.gz RKSPTASNHLNSQY-VHJOFQCFSA-N 2 1 384.564 3.842 20 0 GHADMP CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255140860 1040847049 /nfs/dbraw/zinc/84/70/49/1040847049.db2.gz RKSPTASNHLNSQY-VHJOFQCFSA-N 2 1 384.564 3.842 20 0 GHADMP CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255140860 1040847074 /nfs/dbraw/zinc/84/70/74/1040847074.db2.gz RKSPTASNHLNSQY-VHJOFQCFSA-N 2 1 384.564 3.842 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255142082 1040852078 /nfs/dbraw/zinc/85/20/78/1040852078.db2.gz YNYPXPNBRVXSJX-OYTPZHDJSA-N 2 1 384.564 3.700 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255142082 1040852098 /nfs/dbraw/zinc/85/20/98/1040852098.db2.gz YNYPXPNBRVXSJX-OYTPZHDJSA-N 2 1 384.564 3.700 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255143575 1040854939 /nfs/dbraw/zinc/85/49/39/1040854939.db2.gz NLKKAXLILNIUKC-KEZOAJOQSA-N 2 1 381.564 3.659 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255143575 1040854953 /nfs/dbraw/zinc/85/49/53/1040854953.db2.gz NLKKAXLILNIUKC-KEZOAJOQSA-N 2 1 381.564 3.659 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255143575 1040854957 /nfs/dbraw/zinc/85/49/57/1040854957.db2.gz NLKKAXLILNIUKC-KEZOAJOQSA-N 2 1 381.564 3.659 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365612 1040855829 /nfs/dbraw/zinc/85/58/29/1040855829.db2.gz OQHWXJBJTNEOMT-OPJGWUQDSA-N 2 1 392.543 3.847 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149235 1040863886 /nfs/dbraw/zinc/86/38/86/1040863886.db2.gz GCHUPTKRBWRHBP-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149235 1040863897 /nfs/dbraw/zinc/86/38/97/1040863897.db2.gz GCHUPTKRBWRHBP-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149235 1040863911 /nfs/dbraw/zinc/86/39/11/1040863911.db2.gz GCHUPTKRBWRHBP-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149235 1040863922 /nfs/dbraw/zinc/86/39/22/1040863922.db2.gz GCHUPTKRBWRHBP-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP CC(=O)N(C(C)C)C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150045 1040868937 /nfs/dbraw/zinc/86/89/37/1040868937.db2.gz KZURQUDDINCDJI-UBRQYEGLSA-N 2 1 383.580 3.903 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369372 1040868835 /nfs/dbraw/zinc/86/88/35/1040868835.db2.gz MGAYELBKDMWCJC-UKILVPOCSA-N 2 1 386.543 3.934 20 0 GHADMP Brc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c2ccccc12 ZINC001235371434 1040876911 /nfs/dbraw/zinc/87/69/11/1040876911.db2.gz ZSJLIVJJIYRFPF-JXXFODFXSA-N 2 1 387.321 3.555 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255189770 1040897122 /nfs/dbraw/zinc/89/71/22/1040897122.db2.gz WEDGILJKMULNEU-GKJUCJNJSA-N 2 1 397.563 3.924 20 0 GHADMP Brc1ccc2[nH]c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235432221 1040933008 /nfs/dbraw/zinc/93/30/08/1040933008.db2.gz RBLNRHFCPUJXJK-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432221 1040933009 /nfs/dbraw/zinc/93/30/09/1040933009.db2.gz RBLNRHFCPUJXJK-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432221 1040933011 /nfs/dbraw/zinc/93/30/11/1040933011.db2.gz RBLNRHFCPUJXJK-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432295 1040933478 /nfs/dbraw/zinc/93/34/78/1040933478.db2.gz WVVCOSGSXIKLKB-UONOGXRCSA-N 2 1 385.321 3.808 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432295 1040933483 /nfs/dbraw/zinc/93/34/83/1040933483.db2.gz WVVCOSGSXIKLKB-UONOGXRCSA-N 2 1 385.321 3.808 20 0 GHADMP Cc1c(Br)cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Br ZINC001235433091 1040934598 /nfs/dbraw/zinc/93/45/98/1040934598.db2.gz QTVJUQSZTOZIGZ-UHFFFAOYSA-N 2 1 390.163 3.951 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001235482702 1040956040 /nfs/dbraw/zinc/95/60/40/1040956040.db2.gz MYURQURVFUKAGB-NRFANRHFSA-N 3 1 385.577 3.863 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381071 1040971996 /nfs/dbraw/zinc/97/19/96/1040971996.db2.gz OYRQSRMPBRYFAC-JTAQYXEDSA-N 2 1 385.552 3.640 20 0 GHADMP CCN(CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255390131 1040977675 /nfs/dbraw/zinc/97/76/75/1040977675.db2.gz YZBSFHJIVHVQBT-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC001255390512 1040977766 /nfs/dbraw/zinc/97/77/66/1040977766.db2.gz IFCDZASOWYXCRJ-RUZDIDTESA-N 3 1 392.591 3.938 20 0 GHADMP c1ccc(CN2CCC[C@@H]([NH2+]CC3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC001255390512 1040977769 /nfs/dbraw/zinc/97/77/69/1040977769.db2.gz IFCDZASOWYXCRJ-RUZDIDTESA-N 2 1 392.591 3.938 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC001255391782 1040980655 /nfs/dbraw/zinc/98/06/55/1040980655.db2.gz TYNQCRVOCCFIRO-DHIUTWEWSA-N 2 1 380.532 3.978 20 0 GHADMP CC1(COc2ccc(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)CC3)cn2)COC1 ZINC001255392630 1040980684 /nfs/dbraw/zinc/98/06/84/1040980684.db2.gz JXTBTQFSILJSIN-QFIPXVFZSA-N 2 1 395.547 3.641 20 0 GHADMP CC1(COc2ccc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)cn2)COC1 ZINC001255392630 1040980687 /nfs/dbraw/zinc/98/06/87/1040980687.db2.gz JXTBTQFSILJSIN-QFIPXVFZSA-N 2 1 395.547 3.641 20 0 GHADMP c1csc(CC[NH+]2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255401798 1040988918 /nfs/dbraw/zinc/98/89/18/1040988918.db2.gz CBVVFIIMLGRXCL-QFIPXVFZSA-N 2 1 383.605 3.963 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255409953 1040999780 /nfs/dbraw/zinc/99/97/80/1040999780.db2.gz NWYAGWVDJMTOCG-WXFUMESZSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255409953 1040999781 /nfs/dbraw/zinc/99/97/81/1040999781.db2.gz NWYAGWVDJMTOCG-WXFUMESZSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255409953 1040999791 /nfs/dbraw/zinc/99/97/91/1040999791.db2.gz NWYAGWVDJMTOCG-WXFUMESZSA-N 2 1 392.543 3.930 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)C1=O ZINC001255410463 1041004523 /nfs/dbraw/zinc/00/45/23/1041004523.db2.gz XJXQCQUQWTZAEL-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)C1=O ZINC001255410462 1041005338 /nfs/dbraw/zinc/00/53/38/1041005338.db2.gz XJXQCQUQWTZAEL-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](CC[C@H]4COC(C)(C)[NH2+]4)CC3)C2)cc1 ZINC001235598834 1041013435 /nfs/dbraw/zinc/01/34/35/1041013435.db2.gz ZKGDCMHUQGYMEO-QFIPXVFZSA-N 2 1 385.596 3.788 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](CC[C@H]4COC(C)(C)N4)CC3)C2)cc1 ZINC001235598834 1041013474 /nfs/dbraw/zinc/01/34/74/1041013474.db2.gz ZKGDCMHUQGYMEO-QFIPXVFZSA-N 2 1 385.596 3.788 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](CC[C@H]4COC(C)(C)N4)CC3)C2)cc1 ZINC001235598834 1041013502 /nfs/dbraw/zinc/01/35/02/1041013502.db2.gz ZKGDCMHUQGYMEO-QFIPXVFZSA-N 2 1 385.596 3.788 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC3(CCN(CC[C@H]4COC(C)(C)[NH2+]4)CC3)C2)cc1 ZINC001235598834 1041013521 /nfs/dbraw/zinc/01/35/21/1041013521.db2.gz ZKGDCMHUQGYMEO-QFIPXVFZSA-N 2 1 385.596 3.788 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CCN(CC[C@H]4COC(C)(C)[NH2+]4)CC3)C2)cc1 ZINC001235598834 1041013547 /nfs/dbraw/zinc/01/35/47/1041013547.db2.gz ZKGDCMHUQGYMEO-QFIPXVFZSA-N 2 1 385.596 3.788 20 0 GHADMP Fc1cccc(CN2CC[C@]23CCC[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)c1 ZINC001235630269 1041060381 /nfs/dbraw/zinc/06/03/81/1041060381.db2.gz XGELRCDSDBCNAH-DEOSSOPVSA-N 2 1 379.523 3.712 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)C1 ZINC001255594299 1041154815 /nfs/dbraw/zinc/15/48/15/1041154815.db2.gz KAKSDOIPLKBXTA-GOSISDBHSA-N 2 1 393.959 3.685 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001255596700 1041156075 /nfs/dbraw/zinc/15/60/75/1041156075.db2.gz VPBGFNNXFDCAAA-QGZVFWFLSA-N 2 1 379.932 3.599 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001235691007 1041163175 /nfs/dbraw/zinc/16/31/75/1041163175.db2.gz IRYMLMNVVPVAKB-UHFFFAOYSA-N 2 1 384.593 3.545 20 0 GHADMP Clc1ccc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)c(Cl)c1 ZINC001235692145 1041167420 /nfs/dbraw/zinc/16/74/20/1041167420.db2.gz VAWYMVOJZNAOEC-UHFFFAOYSA-N 2 1 376.331 3.914 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@H](C)CC(F)(F)F)CC1 ZINC001255655969 1041195946 /nfs/dbraw/zinc/19/59/46/1041195946.db2.gz ZPMMLGILIUHOSN-MRXNPFEDSA-N 2 1 397.485 3.578 20 0 GHADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1ncc(C(F)(F)F)cc1Br ZINC001235718039 1041200630 /nfs/dbraw/zinc/20/06/30/1041200630.db2.gz SRAIBRNGLWPZGY-UHFFFAOYSA-N 2 1 380.252 3.684 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ncc(C(F)(F)F)cc1Br ZINC001235718039 1041200654 /nfs/dbraw/zinc/20/06/54/1041200654.db2.gz SRAIBRNGLWPZGY-UHFFFAOYSA-N 2 1 380.252 3.684 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662722 1041200964 /nfs/dbraw/zinc/20/09/64/1041200964.db2.gz RKLLDTYDBHTEEQ-WSCSCYJOSA-N 2 1 379.589 3.875 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255672709 1041204599 /nfs/dbraw/zinc/20/45/99/1041204599.db2.gz PMAQUMLOHBAAMT-XUBOLADHSA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255672709 1041204615 /nfs/dbraw/zinc/20/46/15/1041204615.db2.gz PMAQUMLOHBAAMT-XUBOLADHSA-N 2 1 381.568 3.630 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255682243 1041214390 /nfs/dbraw/zinc/21/43/90/1041214390.db2.gz FOTYBHGOOUERHG-YOFSQIOKSA-N 2 1 399.579 3.685 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255682243 1041214404 /nfs/dbraw/zinc/21/44/04/1041214404.db2.gz FOTYBHGOOUERHG-YOFSQIOKSA-N 2 1 399.579 3.685 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001255713568 1041239364 /nfs/dbraw/zinc/23/93/64/1041239364.db2.gz DZPBIQWNSBKQQI-SJORKVTESA-N 2 1 384.490 3.848 20 0 GHADMP CC[N@@H+](Cc1cc(Br)cc(Br)c1)C1CC[NH2+]CC1 ZINC001235760720 1041249096 /nfs/dbraw/zinc/24/90/96/1041249096.db2.gz IZLRLKPPGIYNMT-UHFFFAOYSA-N 2 1 376.136 3.786 20 0 GHADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001255792110 1041299934 /nfs/dbraw/zinc/29/99/34/1041299934.db2.gz UAPGEWYEBQXASW-PQVVKJAFSA-N 2 1 392.591 3.998 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001255792110 1041299944 /nfs/dbraw/zinc/29/99/44/1041299944.db2.gz UAPGEWYEBQXASW-PQVVKJAFSA-N 2 1 392.591 3.998 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001255792110 1041299956 /nfs/dbraw/zinc/29/99/56/1041299956.db2.gz UAPGEWYEBQXASW-PQVVKJAFSA-N 2 1 392.591 3.998 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001255835361 1041331802 /nfs/dbraw/zinc/33/18/02/1041331802.db2.gz XICLHNJZNBQXNN-QGZVFWFLSA-N 2 1 381.536 3.583 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)c1 ZINC001235822840 1041340460 /nfs/dbraw/zinc/34/04/60/1041340460.db2.gz UPTJYWUXTKRNPL-UHFFFAOYSA-N 2 1 393.575 3.834 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001235893711 1041416713 /nfs/dbraw/zinc/41/67/13/1041416713.db2.gz QTKSLLBZKQPDHU-YJBOKZPZSA-N 2 1 378.358 3.623 20 0 GHADMP COc1cc(Br)cc(OC)c1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001278897559 1041425219 /nfs/dbraw/zinc/42/52/19/1041425219.db2.gz FLLZMQWDSMNSIK-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP COc1cc(Br)cc(OC)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001278897559 1041425226 /nfs/dbraw/zinc/42/52/26/1041425226.db2.gz FLLZMQWDSMNSIK-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP [NH3+]CCC1C[NH+](Cc2cc(OCc3ccccc3)ccc2Br)C1 ZINC001235919500 1041428965 /nfs/dbraw/zinc/42/89/65/1041428965.db2.gz XAZVMZZSAJYEIG-UHFFFAOYSA-N 2 1 375.310 3.809 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OC)c(OC2CCCC2)c1)C1CC[NH2+]CC1 ZINC001235936894 1041441037 /nfs/dbraw/zinc/44/10/37/1041441037.db2.gz GYCJVOKLUZIKHV-UHFFFAOYSA-N 2 1 376.541 3.607 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)n2)cc1 ZINC001235937139 1041442348 /nfs/dbraw/zinc/44/23/48/1041442348.db2.gz IAIFHOMWEXDRCG-CVEARBPZSA-N 2 1 377.410 3.689 20 0 GHADMP Cc1nc(Cl)c(CC[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Cl)n1 ZINC001235974527 1041479447 /nfs/dbraw/zinc/47/94/47/1041479447.db2.gz NZDUDLUHFIZELP-UHFFFAOYSA-N 2 1 391.346 3.771 20 0 GHADMP Brc1ccccc1CN1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071162 1041507567 /nfs/dbraw/zinc/50/75/67/1041507567.db2.gz PERDIOFEEGOSJQ-UHFFFAOYSA-N 2 1 392.385 3.630 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001236043621 1041513613 /nfs/dbraw/zinc/51/36/13/1041513613.db2.gz ZDKDDTHVEJPDNS-CTNGQTDRSA-N 3 1 391.550 3.855 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2cc(C)c(C)cc2OCc2ccccc2)CC1 ZINC001236067823 1041520122 /nfs/dbraw/zinc/52/01/22/1041520122.db2.gz WTPATIAEKGWAJE-QHCPKHFHSA-N 2 1 396.531 3.595 20 0 GHADMP FC(F)(F)c1cccc2c1C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001236086165 1041528479 /nfs/dbraw/zinc/52/84/79/1041528479.db2.gz CLIOBBRWUTUPEX-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP FC(F)(F)c1cccc2c1C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001236086165 1041528491 /nfs/dbraw/zinc/52/84/91/1041528491.db2.gz CLIOBBRWUTUPEX-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP c1c(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)sc2c1C[NH2+]CC2 ZINC001236092315 1041529215 /nfs/dbraw/zinc/52/92/15/1041529215.db2.gz JDXIDOIQQFFAIB-ICGULJKJSA-N 3 1 383.605 3.789 20 0 GHADMP c1c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)sc2c1C[NH2+]CC2 ZINC001236092315 1041529219 /nfs/dbraw/zinc/52/92/19/1041529219.db2.gz JDXIDOIQQFFAIB-ICGULJKJSA-N 3 1 383.605 3.789 20 0 GHADMP c1c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)sc2c1C[NH2+]CC2 ZINC001236092315 1041529225 /nfs/dbraw/zinc/52/92/25/1041529225.db2.gz JDXIDOIQQFFAIB-ICGULJKJSA-N 3 1 383.605 3.789 20 0 GHADMP c1c(C[N@@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)sc2c1C[NH2+]CC2 ZINC001236092315 1041529235 /nfs/dbraw/zinc/52/92/35/1041529235.db2.gz JDXIDOIQQFFAIB-ICGULJKJSA-N 2 1 383.605 3.789 20 0 GHADMP c1c(C[N@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)sc2c1C[NH2+]CC2 ZINC001236092315 1041529245 /nfs/dbraw/zinc/52/92/45/1041529245.db2.gz JDXIDOIQQFFAIB-ICGULJKJSA-N 2 1 383.605 3.789 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001236093023 1041529410 /nfs/dbraw/zinc/52/94/10/1041529410.db2.gz DJOSZFBQXSTTMT-INIZCTEOSA-N 2 1 379.570 3.615 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(C)cc2I)CC1 ZINC001236215290 1041625346 /nfs/dbraw/zinc/62/53/46/1041625346.db2.gz NDJXNMXXMSPCMS-UHFFFAOYSA-N 2 1 386.321 3.870 20 0 GHADMP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001236239539 1041638901 /nfs/dbraw/zinc/63/89/01/1041638901.db2.gz FIJOSZKDRYKZBM-UHFFFAOYSA-N 2 1 378.442 3.532 20 0 GHADMP c1c(CN2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238880 1041639153 /nfs/dbraw/zinc/63/91/53/1041639153.db2.gz CUXKWZFTOFVAOH-QHCPKHFHSA-N 2 1 381.589 3.882 20 0 GHADMP c1c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238880 1041639158 /nfs/dbraw/zinc/63/91/58/1041639158.db2.gz CUXKWZFTOFVAOH-QHCPKHFHSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238880 1041639163 /nfs/dbraw/zinc/63/91/63/1041639163.db2.gz CUXKWZFTOFVAOH-QHCPKHFHSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238880 1041639168 /nfs/dbraw/zinc/63/91/68/1041639168.db2.gz CUXKWZFTOFVAOH-QHCPKHFHSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238880 1041639171 /nfs/dbraw/zinc/63/91/71/1041639171.db2.gz CUXKWZFTOFVAOH-QHCPKHFHSA-N 3 1 381.589 3.882 20 0 GHADMP COc1ccc(-c2c(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)cnn2C)cc1 ZINC001236301096 1041665408 /nfs/dbraw/zinc/66/54/08/1041665408.db2.gz VNCNEYPSNKREMT-UHFFFAOYSA-N 2 1 390.531 3.850 20 0 GHADMP COc1ccc(-c2c(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)cnn2C)cc1 ZINC001236301096 1041665412 /nfs/dbraw/zinc/66/54/12/1041665412.db2.gz VNCNEYPSNKREMT-UHFFFAOYSA-N 2 1 390.531 3.850 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC001236320372 1041670394 /nfs/dbraw/zinc/67/03/94/1041670394.db2.gz FVZBJFWQXPIAFA-OYRHEFFESA-N 2 1 396.531 3.714 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236321047 1041670445 /nfs/dbraw/zinc/67/04/45/1041670445.db2.gz NYIKLQDWPGZCIJ-BETUJISGSA-N 2 1 377.248 3.899 20 0 GHADMP CCOC(=O)N1CCC([N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)CC1 ZINC001256243044 1041672126 /nfs/dbraw/zinc/67/21/26/1041672126.db2.gz JDJJLORZACGWEZ-FKBYEOEOSA-N 2 1 385.552 3.718 20 0 GHADMP CCOC(=O)N1CCC([NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)CC1 ZINC001256243044 1041672131 /nfs/dbraw/zinc/67/21/31/1041672131.db2.gz JDJJLORZACGWEZ-FKBYEOEOSA-N 2 1 385.552 3.718 20 0 GHADMP CCOC(=O)N1CCC([NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)CC1 ZINC001256243044 1041672137 /nfs/dbraw/zinc/67/21/37/1041672137.db2.gz JDJJLORZACGWEZ-FKBYEOEOSA-N 2 1 385.552 3.718 20 0 GHADMP Cc1ccc2ccccc2c1C[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387061 1041693642 /nfs/dbraw/zinc/69/36/42/1041693642.db2.gz LQEYYLSGRJSAGV-UHFFFAOYSA-N 2 1 395.591 3.672 20 0 GHADMP Clc1ccc(C[N@H+](Cc2cccc(N3CCOCC3)c2)C2CC[NH2+]CC2)cc1 ZINC001236454054 1041718801 /nfs/dbraw/zinc/71/88/01/1041718801.db2.gz IZRWMMFEHJQGAN-UHFFFAOYSA-N 2 1 399.966 3.931 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2cccc(N3CCOCC3)c2)C2CC[NH2+]CC2)cc1 ZINC001236454054 1041718810 /nfs/dbraw/zinc/71/88/10/1041718810.db2.gz IZRWMMFEHJQGAN-UHFFFAOYSA-N 2 1 399.966 3.931 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001256406297 1041721195 /nfs/dbraw/zinc/72/11/95/1041721195.db2.gz GNWMLRHICHUSNJ-NQSCKRDGSA-N 2 1 381.520 3.571 20 0 GHADMP C[C@@H](Cc1ccccn1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001256415594 1041724332 /nfs/dbraw/zinc/72/43/32/1041724332.db2.gz NCWLPSWZFSTGHX-ICSRJNTNSA-N 2 1 385.577 3.830 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001256456236 1041740090 /nfs/dbraw/zinc/74/00/90/1041740090.db2.gz GZYJVUZZASPIHA-PKOBYXMFSA-N 2 1 388.556 3.736 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001256472478 1041750773 /nfs/dbraw/zinc/75/07/73/1041750773.db2.gz CXIMAFZEDBFBSM-WMZOPIPTSA-N 2 1 388.556 3.717 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(O)c3ncccc23)C2CC[NH2+]CC2)cc1F ZINC001236518814 1041751698 /nfs/dbraw/zinc/75/16/98/1041751698.db2.gz VSAWKOMRUWINSW-UHFFFAOYSA-N 2 1 395.478 3.842 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(O)c3ncccc23)C2CC[NH2+]CC2)cc1F ZINC001236518814 1041751704 /nfs/dbraw/zinc/75/17/04/1041751704.db2.gz VSAWKOMRUWINSW-UHFFFAOYSA-N 2 1 395.478 3.842 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(OC)cc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542306 1041756643 /nfs/dbraw/zinc/75/66/43/1041756643.db2.gz DRRHMOSSNGFASD-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2[nH]nc3cc(Br)ccc32)C2CCC2)CC1 ZINC001236571726 1041765663 /nfs/dbraw/zinc/76/56/63/1041765663.db2.gz BHTSUKXYDNBPIU-CTYIDZIISA-N 2 1 377.330 3.950 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(Br)ccnc2Cl)CC1 ZINC001236587095 1041768431 /nfs/dbraw/zinc/76/84/31/1041768431.db2.gz AANRHIJMGYLVOM-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP Brc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1-n1ccnc1 ZINC001236601591 1041775235 /nfs/dbraw/zinc/77/52/35/1041775235.db2.gz NFNSWCBQXQOFCO-INIZCTEOSA-N 2 1 389.341 3.599 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001236661308 1041810108 /nfs/dbraw/zinc/81/01/08/1041810108.db2.gz BWJYBBSXKBKQHK-HSZRJFAPSA-N 2 1 381.564 3.999 20 0 GHADMP COc1ccccc1C[N@@H+](C[C@H]1COC2(CCCCC2)O1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701952 1041840908 /nfs/dbraw/zinc/84/09/08/1041840908.db2.gz UDALLTQYPVWIHX-ACRUOGEOSA-N 2 1 388.552 3.843 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2ccc(-n3ccnn3)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236725702 1041858329 /nfs/dbraw/zinc/85/83/29/1041858329.db2.gz CBRZCZBYSJIDBL-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@H]12 ZINC001236832664 1041922291 /nfs/dbraw/zinc/92/22/91/1041922291.db2.gz WOZRVYQREDYIDX-RYQLBKOJSA-N 2 1 377.410 3.816 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2c(Br)cccc2OC(F)F)CC1 ZINC001237246592 1042105730 /nfs/dbraw/zinc/10/57/30/1042105730.db2.gz QPDVONZBZJKMME-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3cc(Br)ccc3OC(F)F)C2)CC1 ZINC001237425236 1042201831 /nfs/dbraw/zinc/20/18/31/1042201831.db2.gz IHEZCPHNHWXSQI-UHFFFAOYSA-N 2 1 389.284 3.968 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Br)ccc3OC(F)F)C2)CC1 ZINC001237425236 1042201833 /nfs/dbraw/zinc/20/18/33/1042201833.db2.gz IHEZCPHNHWXSQI-UHFFFAOYSA-N 2 1 389.284 3.968 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001237437893 1042207962 /nfs/dbraw/zinc/20/79/62/1042207962.db2.gz UAHMEHSFTMRZJM-FBBABVLZSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001237437893 1042207965 /nfs/dbraw/zinc/20/79/65/1042207965.db2.gz UAHMEHSFTMRZJM-FBBABVLZSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001237437893 1042207967 /nfs/dbraw/zinc/20/79/67/1042207967.db2.gz UAHMEHSFTMRZJM-FBBABVLZSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001237437893 1042207970 /nfs/dbraw/zinc/20/79/70/1042207970.db2.gz UAHMEHSFTMRZJM-FBBABVLZSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001237483933 1042229010 /nfs/dbraw/zinc/22/90/10/1042229010.db2.gz WFAMLUSQOFDBJT-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001237483933 1042229011 /nfs/dbraw/zinc/22/90/11/1042229011.db2.gz WFAMLUSQOFDBJT-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001237483933 1042229014 /nfs/dbraw/zinc/22/90/14/1042229014.db2.gz WFAMLUSQOFDBJT-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001237488585 1042231345 /nfs/dbraw/zinc/23/13/45/1042231345.db2.gz QUZRBXCDOWFOOH-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001237488585 1042231350 /nfs/dbraw/zinc/23/13/50/1042231350.db2.gz QUZRBXCDOWFOOH-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1 ZINC001237488585 1042231356 /nfs/dbraw/zinc/23/13/56/1042231356.db2.gz QUZRBXCDOWFOOH-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cccc5c(F)cccc45)C[C@H]3C2)cn1 ZINC001237518033 1042247110 /nfs/dbraw/zinc/24/71/10/1042247110.db2.gz MDOSAMGGRVSQTH-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5c(F)cccc45)C[C@H]3C2)cn1 ZINC001237518033 1042247111 /nfs/dbraw/zinc/24/71/11/1042247111.db2.gz MDOSAMGGRVSQTH-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c(F)cccc45)C[C@H]3C2)cn1 ZINC001237518033 1042247115 /nfs/dbraw/zinc/24/71/15/1042247115.db2.gz MDOSAMGGRVSQTH-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c(F)cccc45)C[C@H]3C2)cn1 ZINC001237518033 1042247120 /nfs/dbraw/zinc/24/71/20/1042247120.db2.gz MDOSAMGGRVSQTH-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c(F)cccc45)C[C@H]3C2)cn1 ZINC001237518033 1042247123 /nfs/dbraw/zinc/24/71/23/1042247123.db2.gz MDOSAMGGRVSQTH-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](CCCc3ccccc3Cl)C[C@H]2CC1 ZINC001278134702 1042334090 /nfs/dbraw/zinc/33/40/90/1042334090.db2.gz JSNPWJAIKNTTNA-BGYRXZFFSA-N 2 1 380.960 3.537 20 0 GHADMP Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237732574 1042344230 /nfs/dbraw/zinc/34/42/30/1042344230.db2.gz IYGWNYDDGKRDTL-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1c(Cl)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237732574 1042344234 /nfs/dbraw/zinc/34/42/34/1042344234.db2.gz IYGWNYDDGKRDTL-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1c(Cl)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001237732574 1042344239 /nfs/dbraw/zinc/34/42/39/1042344239.db2.gz IYGWNYDDGKRDTL-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP CCc1ncc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)s1 ZINC001237823268 1042386683 /nfs/dbraw/zinc/38/66/83/1042386683.db2.gz JUDZHKKLLCLIND-UHFFFAOYSA-N 2 1 377.579 3.634 20 0 GHADMP CCc1ncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)s1 ZINC001237823268 1042386689 /nfs/dbraw/zinc/38/66/89/1042386689.db2.gz JUDZHKKLLCLIND-UHFFFAOYSA-N 2 1 377.579 3.634 20 0 GHADMP Cn1ccc(CN2CCCC23CC[NH+](Cc2cncc(Cl)c2Cl)CC3)n1 ZINC001238008710 1042456784 /nfs/dbraw/zinc/45/67/84/1042456784.db2.gz RKZJZEGAPHWNCP-UHFFFAOYSA-N 2 1 394.350 3.753 20 0 GHADMP O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238105945 1042493583 /nfs/dbraw/zinc/49/35/83/1042493583.db2.gz VUNIWULGYLCADD-UHFFFAOYSA-N 2 1 380.517 3.524 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(OC)cnc2F)CC3)c1 ZINC001238115741 1042496136 /nfs/dbraw/zinc/49/61/36/1042496136.db2.gz AQXPUNKELGLATH-UHFFFAOYSA-N 2 1 399.510 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238119700 1042496758 /nfs/dbraw/zinc/49/67/58/1042496758.db2.gz QFXVJGNAUBWMBE-HXUWFJFHSA-N 2 1 384.524 3.946 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1C ZINC001238171867 1042508312 /nfs/dbraw/zinc/50/83/12/1042508312.db2.gz HOIAGWZNPVORTF-UHFFFAOYSA-N 2 1 398.551 3.942 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1C ZINC001238171867 1042508318 /nfs/dbraw/zinc/50/83/18/1042508318.db2.gz HOIAGWZNPVORTF-UHFFFAOYSA-N 2 1 398.551 3.942 20 0 GHADMP c1csc(-c2cccc(C[N@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)c1 ZINC001238207824 1042519720 /nfs/dbraw/zinc/51/97/20/1042519720.db2.gz GKERUWWOAXHXHS-UHFFFAOYSA-N 2 1 393.560 3.661 20 0 GHADMP c1csc(-c2cccc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)c1 ZINC001238207824 1042519725 /nfs/dbraw/zinc/51/97/25/1042519725.db2.gz GKERUWWOAXHXHS-UHFFFAOYSA-N 2 1 393.560 3.661 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001278291048 1042794907 /nfs/dbraw/zinc/79/49/07/1042794907.db2.gz NGVQUOKERIPCKE-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)C2 ZINC001278291048 1042794914 /nfs/dbraw/zinc/79/49/14/1042794914.db2.gz NGVQUOKERIPCKE-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001462655714 1070446933 /nfs/dbraw/zinc/44/69/33/1070446933.db2.gz SBNWSTSOXMJGEV-RCCFBDPRSA-N 2 1 383.536 3.815 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(CN3CC[NH+](C)CC3)c2)nc1 ZINC001240287345 1042918492 /nfs/dbraw/zinc/91/84/92/1042918492.db2.gz FYUZTKKXTXQRRI-FQEVSTJZSA-N 2 1 378.564 3.870 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(C[NH+]3CCN(C)CC3)c2)nc1 ZINC001240287345 1042918493 /nfs/dbraw/zinc/91/84/93/1042918493.db2.gz FYUZTKKXTXQRRI-FQEVSTJZSA-N 2 1 378.564 3.870 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(C[NH+]3CCN(C)CC3)c2)nc1 ZINC001240287345 1042918495 /nfs/dbraw/zinc/91/84/95/1042918495.db2.gz FYUZTKKXTXQRRI-FQEVSTJZSA-N 2 1 378.564 3.870 20 0 GHADMP O=C(Nc1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1)NC1CC[NH2+]CC1 ZINC001240388986 1042924859 /nfs/dbraw/zinc/92/48/59/1042924859.db2.gz QNMNLHAGJCXOBX-UHFFFAOYSA-N 2 1 390.531 3.849 20 0 GHADMP O=C(Nc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1)NC1CC[NH2+]CC1 ZINC001240388824 1042925049 /nfs/dbraw/zinc/92/50/49/1042925049.db2.gz NEOBVCYGMNOSLR-UHFFFAOYSA-N 2 1 390.531 3.849 20 0 GHADMP C[NH+](C)CCc1c[nH]c2ccc(-c3ccc(CN4CC[NH+](C)CC4)cc3)cc12 ZINC001240414913 1042927643 /nfs/dbraw/zinc/92/76/43/1042927643.db2.gz GONLIBWFLMILBR-UHFFFAOYSA-N 2 1 376.548 3.686 20 0 GHADMP C[NH+]1CCN(Cc2ccc(-c3ccc(SC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001240415010 1042927664 /nfs/dbraw/zinc/92/76/64/1042927664.db2.gz IWCUSXKWHYNENJ-UHFFFAOYSA-N 2 1 381.589 3.945 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256534581 1043468542 /nfs/dbraw/zinc/46/85/42/1043468542.db2.gz SGORUFWZXHDDPV-YSZBQJHXSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256534581 1043468555 /nfs/dbraw/zinc/46/85/55/1043468555.db2.gz SGORUFWZXHDDPV-YSZBQJHXSA-N 2 1 395.522 3.683 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256536219 1043482019 /nfs/dbraw/zinc/48/20/19/1043482019.db2.gz JLYSJEHLCOFZRQ-REWPJTCUSA-N 2 1 393.575 3.998 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541206 1043491829 /nfs/dbraw/zinc/49/18/29/1043491829.db2.gz IBNKTVNNOARTTK-OFNKIYASSA-N 2 1 395.591 3.907 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541206 1043491840 /nfs/dbraw/zinc/49/18/40/1043491840.db2.gz IBNKTVNNOARTTK-OFNKIYASSA-N 2 1 395.591 3.907 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001256545649 1043505110 /nfs/dbraw/zinc/50/51/10/1043505110.db2.gz UEHIASBRRLGWAK-WQDFSMHNSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001256545649 1043505131 /nfs/dbraw/zinc/50/51/31/1043505131.db2.gz UEHIASBRRLGWAK-WQDFSMHNSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC001256545649 1043505137 /nfs/dbraw/zinc/50/51/37/1043505137.db2.gz UEHIASBRRLGWAK-WQDFSMHNSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC001256545649 1043505151 /nfs/dbraw/zinc/50/51/51/1043505151.db2.gz UEHIASBRRLGWAK-WQDFSMHNSA-N 2 1 390.575 3.783 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552312 1043516756 /nfs/dbraw/zinc/51/67/56/1043516756.db2.gz BELPFFUYAJSWCE-TUACAJSNSA-N 2 1 385.596 3.615 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552312 1043516766 /nfs/dbraw/zinc/51/67/66/1043516766.db2.gz BELPFFUYAJSWCE-TUACAJSNSA-N 2 1 385.596 3.615 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256552312 1043516774 /nfs/dbraw/zinc/51/67/74/1043516774.db2.gz BELPFFUYAJSWCE-TUACAJSNSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@@H](n2ncc3cc(N4CC[NH2+]CC4)ccc32)CC[N@H+]1Cc1ccccc1 ZINC001256552810 1043518630 /nfs/dbraw/zinc/51/86/30/1043518630.db2.gz DTLUILGJMHJXNA-CVDCTZTESA-N 2 1 389.547 3.672 20 0 GHADMP COc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccn1 ZINC001256558397 1043529735 /nfs/dbraw/zinc/52/97/35/1043529735.db2.gz RRQUAWYXHQXDHQ-AUSIDOKSSA-N 2 1 394.563 3.702 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001256557642 1043529910 /nfs/dbraw/zinc/52/99/10/1043529910.db2.gz NXEIJMLIMAMZKQ-PZJWPPBQSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001256557642 1043529912 /nfs/dbraw/zinc/52/99/12/1043529912.db2.gz NXEIJMLIMAMZKQ-PZJWPPBQSA-N 2 1 380.536 3.681 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256558181 1043531070 /nfs/dbraw/zinc/53/10/70/1043531070.db2.gz RMOWTRJQWZDRMW-FPOVZHCZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256558181 1043531080 /nfs/dbraw/zinc/53/10/80/1043531080.db2.gz RMOWTRJQWZDRMW-FPOVZHCZSA-N 2 1 395.547 3.987 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC1 ZINC001256571463 1043544933 /nfs/dbraw/zinc/54/49/33/1043544933.db2.gz HKSXASXBRBJCIC-DEOSSOPVSA-N 2 1 381.564 3.650 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001256605147 1043568945 /nfs/dbraw/zinc/56/89/45/1043568945.db2.gz CDRYGBZPSDXJOH-PZJWPPBQSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001256605147 1043568956 /nfs/dbraw/zinc/56/89/56/1043568956.db2.gz CDRYGBZPSDXJOH-PZJWPPBQSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CC[NH+](Cc3ccccc3)CC1)[C@H]2C ZINC001256606546 1043570677 /nfs/dbraw/zinc/57/06/77/1043570677.db2.gz VTEVISYHUVMOGR-FQEVSTJZSA-N 2 1 395.595 3.765 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856219 1043705292 /nfs/dbraw/zinc/70/52/92/1043705292.db2.gz HILZLHPMXNQMID-IRLDBZIGSA-N 3 1 378.564 3.798 20 0 GHADMP C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856219 1043705305 /nfs/dbraw/zinc/70/53/05/1043705305.db2.gz HILZLHPMXNQMID-IRLDBZIGSA-N 2 1 378.564 3.798 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C[C@H]21 ZINC001256858214 1043706352 /nfs/dbraw/zinc/70/63/52/1043706352.db2.gz CHRHWETYUYJXAY-KNQAVFIVSA-N 2 1 399.542 3.723 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906771 1043733371 /nfs/dbraw/zinc/73/33/71/1043733371.db2.gz DGDPIXDPLGBTFK-CAOPNEKNSA-N 2 1 387.571 3.970 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001257056916 1043824679 /nfs/dbraw/zinc/82/46/79/1043824679.db2.gz UTBBRTIMNXWNTI-MSOLQXFVSA-N 2 1 376.566 3.768 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001292742169 1043855561 /nfs/dbraw/zinc/85/55/61/1043855561.db2.gz QFEGDLBWJHKLAH-UHFFFAOYSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC001292757184 1043864570 /nfs/dbraw/zinc/86/45/70/1043864570.db2.gz HAUABCXFCOXUBY-OAQYLSRUSA-N 2 1 393.575 3.898 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)cc1 ZINC001257154193 1043902938 /nfs/dbraw/zinc/90/29/38/1043902938.db2.gz PBMBREVFOMQKEY-QGZVFWFLSA-N 2 1 384.495 3.883 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001257214755 1043939015 /nfs/dbraw/zinc/93/90/15/1043939015.db2.gz LJVUZCNXSXBMKM-NQIIRXRSSA-N 2 1 383.552 3.530 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001257214755 1043939021 /nfs/dbraw/zinc/93/90/21/1043939021.db2.gz LJVUZCNXSXBMKM-NQIIRXRSSA-N 2 1 383.552 3.530 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001257223439 1043941598 /nfs/dbraw/zinc/94/15/98/1043941598.db2.gz PHHIHVIBDMIEJD-GOSISDBHSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001257223439 1043941604 /nfs/dbraw/zinc/94/16/04/1043941604.db2.gz PHHIHVIBDMIEJD-GOSISDBHSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001257223440 1043941618 /nfs/dbraw/zinc/94/16/18/1043941618.db2.gz PHHIHVIBDMIEJD-SFHVURJKSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001257223440 1043941623 /nfs/dbraw/zinc/94/16/23/1043941623.db2.gz PHHIHVIBDMIEJD-SFHVURJKSA-N 2 1 379.589 3.971 20 0 GHADMP CCCCCC(CCCCC)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001257551826 1044037152 /nfs/dbraw/zinc/03/71/52/1044037152.db2.gz WUORJUNZDZFOFT-UHFFFAOYSA-N 2 1 392.588 3.853 20 0 GHADMP Cc1ncsc1CN1CC2(C1)CCN(Cc1ccc(Br)o1)CC2 ZINC001279029526 1044089119 /nfs/dbraw/zinc/08/91/19/1044089119.db2.gz DESAIAIPYCNLGD-UHFFFAOYSA-N 2 1 396.354 3.905 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C1CCC3(COC3)CC1)CC2 ZINC001257906807 1044255383 /nfs/dbraw/zinc/25/53/83/1044255383.db2.gz FJTRDVAIDMQKHN-QFIPXVFZSA-N 2 1 384.564 3.701 20 0 GHADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1COc2ccc(Cl)cc2C1 ZINC001257960035 1044278055 /nfs/dbraw/zinc/27/80/55/1044278055.db2.gz PUPGCJWOQDFMAZ-RZUBCFFCSA-N 2 1 386.923 3.523 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1COc2ccc(Cl)cc2C1 ZINC001257960035 1044278066 /nfs/dbraw/zinc/27/80/66/1044278066.db2.gz PUPGCJWOQDFMAZ-RZUBCFFCSA-N 2 1 386.923 3.523 20 0 GHADMP CCOC(=O)CC1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001258036752 1044363570 /nfs/dbraw/zinc/36/35/70/1044363570.db2.gz CHWJTOYTNFLBDP-XOUFRROXSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001258036752 1044363580 /nfs/dbraw/zinc/36/35/80/1044363580.db2.gz CHWJTOYTNFLBDP-XOUFRROXSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001258036752 1044363595 /nfs/dbraw/zinc/36/35/95/1044363595.db2.gz CHWJTOYTNFLBDP-XOUFRROXSA-N 2 1 384.564 3.952 20 0 GHADMP Oc1ccc(CN2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC001258137672 1044423778 /nfs/dbraw/zinc/42/37/78/1044423778.db2.gz MSWZJAKHDAOUDA-UHFFFAOYSA-N 2 1 393.575 3.653 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH+]3C[C@@H]4CN(c5ccccc5)C[C@H]4C3)CC2)cc1 ZINC001258148252 1044437509 /nfs/dbraw/zinc/43/75/09/1044437509.db2.gz DCSWQVHMACULKP-GOTSBHOMSA-N 2 1 375.560 3.762 20 0 GHADMP CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001258337745 1044512043 /nfs/dbraw/zinc/51/20/43/1044512043.db2.gz MIYFYFAVOSPFNO-CWJKEVGVSA-N 2 1 398.657 3.887 20 0 GHADMP CCCCC(CCCC)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258385110 1044529348 /nfs/dbraw/zinc/52/93/48/1044529348.db2.gz BCDVYHPDMGWKNG-UHFFFAOYSA-N 2 1 391.604 3.845 20 0 GHADMP CCCCC[C@@H](CCC)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258669460 1044702870 /nfs/dbraw/zinc/70/28/70/1044702870.db2.gz OFYZSRGHOIJBDK-HXUWFJFHSA-N 2 1 391.604 3.845 20 0 GHADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258672020 1044705196 /nfs/dbraw/zinc/70/51/96/1044705196.db2.gz UBTOQUALUOEFRE-DNVJHFABSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCC[C@@H](CCC)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258672020 1044705206 /nfs/dbraw/zinc/70/52/06/1044705206.db2.gz UBTOQUALUOEFRE-DNVJHFABSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCC[C@@H](CCC)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258672020 1044705224 /nfs/dbraw/zinc/70/52/24/1044705224.db2.gz UBTOQUALUOEFRE-DNVJHFABSA-N 2 1 379.633 3.996 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)cc(OC)c1OC ZINC001258875060 1044820792 /nfs/dbraw/zinc/82/07/92/1044820792.db2.gz XELHBCTYCWUSDS-YZGWKJHDSA-N 2 1 390.568 3.982 20 0 GHADMP COc1cc(C[C@@H](C)[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC001258875060 1044820809 /nfs/dbraw/zinc/82/08/09/1044820809.db2.gz XELHBCTYCWUSDS-YZGWKJHDSA-N 2 1 390.568 3.982 20 0 GHADMP COc1cc(C[C@@H](C)[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC001258875060 1044820835 /nfs/dbraw/zinc/82/08/35/1044820835.db2.gz XELHBCTYCWUSDS-YZGWKJHDSA-N 2 1 390.568 3.982 20 0 GHADMP CCn1ncc2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2COCC1CC1 ZINC001258910099 1044863006 /nfs/dbraw/zinc/86/30/06/1044863006.db2.gz NRHUROFUFPQTMR-AZUAARDMSA-N 2 1 376.589 3.739 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001297114292 1045455358 /nfs/dbraw/zinc/45/53/58/1045455358.db2.gz FBVBDAPVDRQVJZ-YADHBBJMSA-N 2 1 387.543 3.703 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001297594477 1045580302 /nfs/dbraw/zinc/58/03/02/1045580302.db2.gz JCZUAZDHQOIZMO-XMMPIXPASA-N 2 1 393.575 3.916 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001297594477 1045580315 /nfs/dbraw/zinc/58/03/15/1045580315.db2.gz JCZUAZDHQOIZMO-XMMPIXPASA-N 2 1 393.575 3.916 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001297594477 1045580326 /nfs/dbraw/zinc/58/03/26/1045580326.db2.gz JCZUAZDHQOIZMO-XMMPIXPASA-N 2 1 393.575 3.916 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1)C(C)C ZINC001297594477 1045580338 /nfs/dbraw/zinc/58/03/38/1045580338.db2.gz JCZUAZDHQOIZMO-XMMPIXPASA-N 2 1 393.575 3.916 20 0 GHADMP CC[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000576943421 1046267569 /nfs/dbraw/zinc/26/75/69/1046267569.db2.gz GYAPOLNFPHLONH-QFIPXVFZSA-N 2 1 379.548 3.746 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)c1ccccc1 ZINC001303368500 1047374410 /nfs/dbraw/zinc/37/44/10/1047374410.db2.gz XCYGYXOCYAVPMY-CUYJMHBOSA-N 2 1 391.559 3.660 20 0 GHADMP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C(C)(C)C1 ZINC001304042574 1047569766 /nfs/dbraw/zinc/56/97/66/1047569766.db2.gz KJCHYRXCOPTXBI-YPAWHYETSA-N 2 1 385.596 3.627 20 0 GHADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C(C)(C)C1 ZINC001304042574 1047569776 /nfs/dbraw/zinc/56/97/76/1047569776.db2.gz KJCHYRXCOPTXBI-YPAWHYETSA-N 2 1 385.596 3.627 20 0 GHADMP CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C(C)(C)C1 ZINC001304042574 1047569779 /nfs/dbraw/zinc/56/97/79/1047569779.db2.gz KJCHYRXCOPTXBI-YPAWHYETSA-N 2 1 385.596 3.627 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304351947 1047656278 /nfs/dbraw/zinc/65/62/78/1047656278.db2.gz HVDRHRXGYSQJKO-NVXDSCFRSA-N 2 1 391.559 3.644 20 0 GHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2csc(Cl)c2)CC3)n(C)n1 ZINC001279116674 1047724051 /nfs/dbraw/zinc/72/40/51/1047724051.db2.gz REQYQRTUGLTSBN-UHFFFAOYSA-N 2 1 378.973 3.932 20 0 GHADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)cc1Cl ZINC001279227081 1047745188 /nfs/dbraw/zinc/74/51/88/1047745188.db2.gz JXWKDYFDTFHPMU-HDICACEKSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)cc1Cl ZINC001279227081 1047745193 /nfs/dbraw/zinc/74/51/93/1047745193.db2.gz JXWKDYFDTFHPMU-HDICACEKSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)cc1Cl ZINC001279227081 1047745196 /nfs/dbraw/zinc/74/51/96/1047745196.db2.gz JXWKDYFDTFHPMU-HDICACEKSA-N 2 1 376.907 3.520 20 0 GHADMP C[N@H+]1CCC[C@@H](CN2CCC3(CCC[NH+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826335 /nfs/dbraw/zinc/82/63/35/1047826335.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@@H](CN2CCC3(CCC[N@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826343 /nfs/dbraw/zinc/82/63/43/1047826343.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@@H](CN2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826349 /nfs/dbraw/zinc/82/63/49/1047826349.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 2 1 375.523 3.849 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC3(CCC[NH+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826355 /nfs/dbraw/zinc/82/63/55/1047826355.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 3 1 375.523 3.849 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(CCC[NH+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826361 /nfs/dbraw/zinc/82/63/61/1047826361.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@@H](C[NH+]2CCC3(CCC[N@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826369 /nfs/dbraw/zinc/82/63/69/1047826369.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@@H](C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826377 /nfs/dbraw/zinc/82/63/77/1047826377.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 3 1 375.523 3.849 20 0 GHADMP CN1CCC[C@@H](C[NH+]2CCC3(CCC[N@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826386 /nfs/dbraw/zinc/82/63/86/1047826386.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 2 1 375.523 3.849 20 0 GHADMP CN1CCC[C@@H](C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)C1 ZINC001279502582 1047826393 /nfs/dbraw/zinc/82/63/93/1047826393.db2.gz UKYKWSXFZWGWRU-GOSISDBHSA-N 2 1 375.523 3.849 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3cncc(Cl)n3)C[C@H]2CC1 ZINC001279508014 1047829215 /nfs/dbraw/zinc/82/92/15/1047829215.db2.gz DQYQRHVBVLXKNK-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](Cc3cncc(Cl)n3)C[C@H]2CC1 ZINC001279508014 1047829225 /nfs/dbraw/zinc/82/92/25/1047829225.db2.gz DQYQRHVBVLXKNK-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP O=c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cc(Cl)cs2)CC3)[nH]1 ZINC001279577609 1047846937 /nfs/dbraw/zinc/84/69/37/1047846937.db2.gz QGDVJFMLCCPAPH-UHFFFAOYSA-N 2 1 377.941 3.990 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001279580652 1047853497 /nfs/dbraw/zinc/85/34/97/1047853497.db2.gz ZRBNTELUKDCZFU-KSEOMHKRSA-N 2 1 375.988 3.793 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001279636666 1047882759 /nfs/dbraw/zinc/88/27/59/1047882759.db2.gz RUAGSDQYKHJUSG-UHFFFAOYSA-N 2 1 380.323 3.518 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cc3sccc3nc1Cl)C2 ZINC001279673039 1047909751 /nfs/dbraw/zinc/90/97/51/1047909751.db2.gz WMGMZYKPFCRUJW-FQEVSTJZSA-N 2 1 393.000 3.799 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cc3sccc3nc1Cl)C2 ZINC001279673039 1047909755 /nfs/dbraw/zinc/90/97/55/1047909755.db2.gz WMGMZYKPFCRUJW-FQEVSTJZSA-N 2 1 393.000 3.799 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c(Cl)n1 ZINC001280185759 1048120665 /nfs/dbraw/zinc/12/06/65/1048120665.db2.gz WFXUMPZJUFALMX-UHFFFAOYSA-N 2 1 378.992 3.708 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)cc(C)c1Cl)CC2 ZINC001280224389 1048133599 /nfs/dbraw/zinc/13/35/99/1048133599.db2.gz QYBPFWIRUDVLSF-UHFFFAOYSA-N 2 1 384.923 3.696 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)cc(C)c1Cl)CC2 ZINC001280224389 1048133608 /nfs/dbraw/zinc/13/36/08/1048133608.db2.gz QYBPFWIRUDVLSF-UHFFFAOYSA-N 2 1 384.923 3.696 20 0 GHADMP Cc1cccc(Br)c1C[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001280270603 1048152955 /nfs/dbraw/zinc/15/29/55/1048152955.db2.gz KAACYEFNGQUFRJ-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP Cc1cn2c(nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)cc2=O)s1 ZINC001307532161 1049377934 /nfs/dbraw/zinc/37/79/34/1049377934.db2.gz ZPMUOUOYYQEWSJ-INIZCTEOSA-N 2 1 388.581 3.541 20 0 GHADMP Cc1cn2c(nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cc2=O)s1 ZINC001307532161 1049377946 /nfs/dbraw/zinc/37/79/46/1049377946.db2.gz ZPMUOUOYYQEWSJ-INIZCTEOSA-N 2 1 388.581 3.541 20 0 GHADMP CCN1C[C@H](C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC001307825834 1049619624 /nfs/dbraw/zinc/61/96/24/1049619624.db2.gz QRODOQJLFXDCTD-DHIUTWEWSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954636 1049720965 /nfs/dbraw/zinc/72/09/65/1049720965.db2.gz MTROVESAZXDPKM-FCHUYYIVSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954636 1049720972 /nfs/dbraw/zinc/72/09/72/1049720972.db2.gz MTROVESAZXDPKM-FCHUYYIVSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCCC4(CCC4)O3)C2)ccn1 ZINC001307954636 1049720980 /nfs/dbraw/zinc/72/09/80/1049720980.db2.gz MTROVESAZXDPKM-FCHUYYIVSA-N 2 1 387.568 3.867 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001308001287 1049750395 /nfs/dbraw/zinc/75/03/95/1049750395.db2.gz AACYGIQDGQBSMG-VQTJNVASSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N3c4ccccc4CC[C@H]3C)CC2)[nH+]c1C ZINC001308082992 1049827343 /nfs/dbraw/zinc/82/73/43/1049827343.db2.gz OSODAHMMUAXNPF-CRAIPNDOSA-N 2 1 380.536 3.962 20 0 GHADMP CCOC(=O)N[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)CC(C)C ZINC001308195995 1049908330 /nfs/dbraw/zinc/90/83/30/1049908330.db2.gz HHQUHEQNSTYBLL-LEWJYISDSA-N 2 1 387.568 3.934 20 0 GHADMP CCOC(=O)N[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)CC(C)C ZINC001308195995 1049908334 /nfs/dbraw/zinc/90/83/34/1049908334.db2.gz HHQUHEQNSTYBLL-LEWJYISDSA-N 2 1 387.568 3.934 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)cc1I ZINC001308205010 1049911787 /nfs/dbraw/zinc/91/17/87/1049911787.db2.gz LVKZBVHRGHLAHT-IAGOWNOFSA-N 2 1 384.305 3.624 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)cc1I ZINC001308205010 1049911788 /nfs/dbraw/zinc/91/17/88/1049911788.db2.gz LVKZBVHRGHLAHT-IAGOWNOFSA-N 2 1 384.305 3.624 20 0 GHADMP C[C@@H]1CCC[C@@](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC001308219282 1049916766 /nfs/dbraw/zinc/91/67/66/1049916766.db2.gz VXUBVHYIHZARLC-RVKKMQEKSA-N 2 1 395.510 3.932 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)cc1 ZINC001308390202 1049964679 /nfs/dbraw/zinc/96/46/79/1049964679.db2.gz GGLQVSFRCNHXRY-UHFFFAOYSA-N 2 1 388.577 3.728 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001308390202 1049964681 /nfs/dbraw/zinc/96/46/81/1049964681.db2.gz GGLQVSFRCNHXRY-UHFFFAOYSA-N 2 1 388.577 3.728 20 0 GHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001308561533 1050009562 /nfs/dbraw/zinc/00/95/62/1050009562.db2.gz PTMMVIJHYPAERG-HXUWFJFHSA-N 2 1 375.557 3.875 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001308561533 1050009569 /nfs/dbraw/zinc/00/95/69/1050009569.db2.gz PTMMVIJHYPAERG-HXUWFJFHSA-N 2 1 375.557 3.875 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001308561533 1050009576 /nfs/dbraw/zinc/00/95/76/1050009576.db2.gz PTMMVIJHYPAERG-HXUWFJFHSA-N 2 1 375.557 3.875 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC001308561533 1050009582 /nfs/dbraw/zinc/00/95/82/1050009582.db2.gz PTMMVIJHYPAERG-HXUWFJFHSA-N 2 1 375.557 3.875 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(O)cc(Cl)c3)C2)ccn1 ZINC001308875733 1050134061 /nfs/dbraw/zinc/13/40/61/1050134061.db2.gz HQHWGHUWODFUKC-HXUWFJFHSA-N 2 1 375.900 3.546 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(O)cc(Cl)c3)C2)ccn1 ZINC001308875733 1050134068 /nfs/dbraw/zinc/13/40/68/1050134068.db2.gz HQHWGHUWODFUKC-HXUWFJFHSA-N 2 1 375.900 3.546 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(O)cc(Cl)c3)C2)ccn1 ZINC001308875733 1050134075 /nfs/dbraw/zinc/13/40/75/1050134075.db2.gz HQHWGHUWODFUKC-HXUWFJFHSA-N 2 1 375.900 3.546 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(O)cc(Cl)c3)C2)ccn1 ZINC001308875733 1050134087 /nfs/dbraw/zinc/13/40/87/1050134087.db2.gz HQHWGHUWODFUKC-HXUWFJFHSA-N 2 1 375.900 3.546 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001330154092 1050967107 /nfs/dbraw/zinc/96/71/07/1050967107.db2.gz OLKVDPFORMGZLE-SNWXZZBVSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001330154092 1050967108 /nfs/dbraw/zinc/96/71/08/1050967108.db2.gz OLKVDPFORMGZLE-SNWXZZBVSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001330154092 1050967111 /nfs/dbraw/zinc/96/71/11/1050967111.db2.gz OLKVDPFORMGZLE-SNWXZZBVSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)[nH+]c1C ZINC001331704940 1051356555 /nfs/dbraw/zinc/35/65/55/1051356555.db2.gz ZVCDSGOQQQPECM-QGZVFWFLSA-N 2 1 376.545 3.853 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC001311014290 1051773416 /nfs/dbraw/zinc/77/34/16/1051773416.db2.gz VWEDCQZPZGWERG-QGZVFWFLSA-N 2 1 396.963 3.537 20 0 GHADMP Cc1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(=S)n1-c1ccccc1C ZINC001334727202 1051969239 /nfs/dbraw/zinc/96/92/39/1051969239.db2.gz ZHDNOUSBFWUVDK-GBESFXJTSA-N 2 1 385.581 3.640 20 0 GHADMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(=S)n1-c1ccccc1C ZINC001334727202 1051969243 /nfs/dbraw/zinc/96/92/43/1051969243.db2.gz ZHDNOUSBFWUVDK-GBESFXJTSA-N 2 1 385.581 3.640 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC001311313451 1052012798 /nfs/dbraw/zinc/01/27/98/1052012798.db2.gz FUWCYALLWYNBPO-RXVVDRJESA-N 2 1 390.572 3.601 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001311397034 1052092162 /nfs/dbraw/zinc/09/21/62/1052092162.db2.gz COGPVDDKSTZEAT-URVUXULASA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311397034 1052092183 /nfs/dbraw/zinc/09/21/83/1052092183.db2.gz COGPVDDKSTZEAT-URVUXULASA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001311397034 1052092195 /nfs/dbraw/zinc/09/21/95/1052092195.db2.gz COGPVDDKSTZEAT-URVUXULASA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC001311402715 1052105409 /nfs/dbraw/zinc/10/54/09/1052105409.db2.gz YSHQSQXDQQTUGL-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC001311402715 1052105412 /nfs/dbraw/zinc/10/54/12/1052105412.db2.gz YSHQSQXDQQTUGL-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC001311402715 1052105421 /nfs/dbraw/zinc/10/54/21/1052105421.db2.gz YSHQSQXDQQTUGL-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC001311402715 1052105434 /nfs/dbraw/zinc/10/54/34/1052105434.db2.gz YSHQSQXDQQTUGL-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H](CCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC001311403791 1052107754 /nfs/dbraw/zinc/10/77/54/1052107754.db2.gz LPPRVVRKPFZDNP-QHAWAJNXSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@H](CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001311403791 1052107762 /nfs/dbraw/zinc/10/77/62/1052107762.db2.gz LPPRVVRKPFZDNP-QHAWAJNXSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@H](CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001311403791 1052107771 /nfs/dbraw/zinc/10/77/71/1052107771.db2.gz LPPRVVRKPFZDNP-QHAWAJNXSA-N 2 1 388.600 3.564 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001311535175 1052228125 /nfs/dbraw/zinc/22/81/25/1052228125.db2.gz XIMCJVHNZGRBHK-JTHBVZDNSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001311568955 1052252178 /nfs/dbraw/zinc/25/21/78/1052252178.db2.gz IEAXGPNVRJWOPF-FCHUYYIVSA-N 2 1 388.600 3.806 20 0 GHADMP CC[N@@H+](CCCNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCCCC1 ZINC001311671418 1052317762 /nfs/dbraw/zinc/31/77/62/1052317762.db2.gz YRBZNXIXTVGMPW-SLFFLAALSA-N 2 1 380.621 3.697 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)ccc1OCc1ccncc1 ZINC001336888390 1052358273 /nfs/dbraw/zinc/35/82/73/1052358273.db2.gz JPQPFIPGPBWBHF-FKBYEOEOSA-N 2 1 395.547 3.831 20 0 GHADMP CCCN(C(=O)N[C@H](C)C[NH+](CC)CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001311749531 1052373082 /nfs/dbraw/zinc/37/30/82/1052373082.db2.gz LZWAFKVBNJKNJS-IFMALSPDSA-N 2 1 388.600 3.803 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001312268784 1052670708 /nfs/dbraw/zinc/67/07/08/1052670708.db2.gz XIJOWVBVABFYKP-DYQZNNLLSA-N 2 1 388.600 3.876 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001312642262 1052822204 /nfs/dbraw/zinc/82/22/04/1052822204.db2.gz YARMZIJLHTYYHG-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001312642262 1052822207 /nfs/dbraw/zinc/82/22/07/1052822207.db2.gz YARMZIJLHTYYHG-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001312642262 1052822216 /nfs/dbraw/zinc/82/22/16/1052822216.db2.gz YARMZIJLHTYYHG-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1cc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC001312649999 1052826098 /nfs/dbraw/zinc/82/60/98/1052826098.db2.gz FLJPBBVXEHKXOZ-OAQYLSRUSA-N 2 1 399.583 3.587 20 0 GHADMP Cc1cc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC001312649999 1052826108 /nfs/dbraw/zinc/82/61/08/1052826108.db2.gz FLJPBBVXEHKXOZ-OAQYLSRUSA-N 2 1 399.583 3.587 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC001312674427 1052833619 /nfs/dbraw/zinc/83/36/19/1052833619.db2.gz GRGOMDHOBPEIHC-HXUWFJFHSA-N 2 1 394.991 3.706 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](CC)C2)[NH+](CC)CC)cc1 ZINC001312785227 1052868934 /nfs/dbraw/zinc/86/89/34/1052868934.db2.gz DWFQEJAEANSGDB-IFMALSPDSA-N 2 1 388.600 3.663 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001312786936 1052869593 /nfs/dbraw/zinc/86/95/93/1052869593.db2.gz QUUUMFZPEIVLGJ-LEWJYISDSA-N 2 1 388.600 3.804 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1)Cc1ccccc1 ZINC001312968310 1052923097 /nfs/dbraw/zinc/92/30/97/1052923097.db2.gz QRYDVVKZTFIMEB-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)Cc1ccccc1 ZINC001312968310 1052923101 /nfs/dbraw/zinc/92/31/01/1052923101.db2.gz QRYDVVKZTFIMEB-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)Cc1ccccc1 ZINC001312968310 1052923103 /nfs/dbraw/zinc/92/31/03/1052923103.db2.gz QRYDVVKZTFIMEB-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP Cc1c(C(=O)OC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001344598069 1054590337 /nfs/dbraw/zinc/59/03/37/1054590337.db2.gz ZYYNNSASMPNKED-QHCPKHFHSA-N 2 1 390.487 3.787 20 0 GHADMP Cc1c(C(=O)OC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001344598069 1054590343 /nfs/dbraw/zinc/59/03/43/1054590343.db2.gz ZYYNNSASMPNKED-QHCPKHFHSA-N 2 1 390.487 3.787 20 0 GHADMP CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cnccc1-n1ccnc1C ZINC001318552669 1054714035 /nfs/dbraw/zinc/71/40/35/1054714035.db2.gz IVFWKDGMVKMECH-CQSZACIVSA-N 2 1 389.463 3.852 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)C1 ZINC001318585275 1054732627 /nfs/dbraw/zinc/73/26/27/1054732627.db2.gz LIPRUWSAVBSVLF-YMPZKCBVSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)C1 ZINC001318585275 1054732644 /nfs/dbraw/zinc/73/26/44/1054732644.db2.gz LIPRUWSAVBSVLF-YMPZKCBVSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)C1 ZINC001318585275 1054732663 /nfs/dbraw/zinc/73/26/63/1054732663.db2.gz LIPRUWSAVBSVLF-YMPZKCBVSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)C1 ZINC001318585275 1054732680 /nfs/dbraw/zinc/73/26/80/1054732680.db2.gz LIPRUWSAVBSVLF-YMPZKCBVSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001318701260 1054805349 /nfs/dbraw/zinc/80/53/49/1054805349.db2.gz PKPZQUWTNRJCDS-BVYCBKJFSA-N 2 1 386.584 3.733 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001319175079 1055079687 /nfs/dbraw/zinc/07/96/87/1055079687.db2.gz DSAWRNPHEHMSJZ-FCHUYYIVSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001319175079 1055079703 /nfs/dbraw/zinc/07/97/03/1055079703.db2.gz DSAWRNPHEHMSJZ-FCHUYYIVSA-N 2 1 398.551 3.584 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001319460617 1055260427 /nfs/dbraw/zinc/26/04/27/1055260427.db2.gz ASTIEPCDOGTJNY-REWPJTCUSA-N 2 1 383.580 3.937 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001319460617 1055260439 /nfs/dbraw/zinc/26/04/39/1055260439.db2.gz ASTIEPCDOGTJNY-REWPJTCUSA-N 2 1 383.580 3.937 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC001319500889 1055292655 /nfs/dbraw/zinc/29/26/55/1055292655.db2.gz ZUXZBYABZQSMSI-PKTZIBPZSA-N 2 1 383.580 3.540 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001319691875 1055400650 /nfs/dbraw/zinc/40/06/50/1055400650.db2.gz PLXWKWRTBWMPMV-UIFIKXQLSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319691875 1055400655 /nfs/dbraw/zinc/40/06/55/1055400655.db2.gz PLXWKWRTBWMPMV-UIFIKXQLSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319691875 1055400658 /nfs/dbraw/zinc/40/06/58/1055400658.db2.gz PLXWKWRTBWMPMV-UIFIKXQLSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001319879137 1055518247 /nfs/dbraw/zinc/51/82/47/1055518247.db2.gz OMIZQCBBOMVHRL-HJNYFJLDSA-N 2 1 383.580 3.668 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001319888981 1055523968 /nfs/dbraw/zinc/52/39/68/1055523968.db2.gz JDNJMTRUSARBAG-WBVHZDCISA-N 2 1 398.954 3.598 20 0 GHADMP Cc1c(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc2c[nH+]cn21 ZINC001319984010 1055579112 /nfs/dbraw/zinc/57/91/12/1055579112.db2.gz CACGHGJMEISYAG-FQEVSTJZSA-N 2 1 382.895 3.863 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001319994528 1055584946 /nfs/dbraw/zinc/58/49/46/1055584946.db2.gz SVWUGEHKBNUGJH-HXUWFJFHSA-N 2 1 376.504 3.627 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001320090791 1055649955 /nfs/dbraw/zinc/64/99/55/1055649955.db2.gz QARFLEZVPAATQP-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001320090791 1055649957 /nfs/dbraw/zinc/64/99/57/1055649957.db2.gz QARFLEZVPAATQP-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001320908717 1056010411 /nfs/dbraw/zinc/01/04/11/1056010411.db2.gz SHBITXRKAAMEEQ-PKTZIBPZSA-N 2 1 395.522 3.987 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001320908717 1056010423 /nfs/dbraw/zinc/01/04/23/1056010423.db2.gz SHBITXRKAAMEEQ-PKTZIBPZSA-N 2 1 395.522 3.987 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)cc1 ZINC001321266563 1056200300 /nfs/dbraw/zinc/20/03/00/1056200300.db2.gz DJKPLJRFVRWFQN-OAQYLSRUSA-N 2 1 380.536 3.949 20 0 GHADMP CN(CCC[NH+]1CCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324075242 1057066248 /nfs/dbraw/zinc/06/62/48/1057066248.db2.gz GPGNNAHSBVSDFK-NOTZXAQLSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)[NH+](C)C ZINC001324100870 1057070234 /nfs/dbraw/zinc/07/02/34/1057070234.db2.gz NALGAVJXPYBUBE-VJBMBRPKSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)[NH+](C)C ZINC001324100870 1057070237 /nfs/dbraw/zinc/07/02/37/1057070237.db2.gz NALGAVJXPYBUBE-VJBMBRPKSA-N 2 1 394.563 3.552 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000848572888 1057188674 /nfs/dbraw/zinc/18/86/74/1057188674.db2.gz MRTCJPOKJQNGSU-JOCHJYFZSA-N 2 1 378.516 3.689 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000848572888 1057188677 /nfs/dbraw/zinc/18/86/77/1057188677.db2.gz MRTCJPOKJQNGSU-JOCHJYFZSA-N 2 1 378.516 3.689 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001326408925 1057477471 /nfs/dbraw/zinc/47/74/71/1057477471.db2.gz SJBYSMYLBVCVEA-KRWDZBQOSA-N 2 1 375.476 3.894 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC001326408925 1057477475 /nfs/dbraw/zinc/47/74/75/1057477475.db2.gz SJBYSMYLBVCVEA-KRWDZBQOSA-N 2 1 375.476 3.894 20 0 GHADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326583083 1057516280 /nfs/dbraw/zinc/51/62/80/1057516280.db2.gz CHXJJBJRQQKNDX-JOCHJYFZSA-N 2 1 399.579 3.605 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2)cs1 ZINC001326694730 1057536242 /nfs/dbraw/zinc/53/62/42/1057536242.db2.gz XYLQZDPKNIXJOD-UHFFFAOYSA-N 2 1 384.549 3.523 20 0 GHADMP CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000849078883 1057583942 /nfs/dbraw/zinc/58/39/42/1057583942.db2.gz JFOQEBYBFXXXCE-HTAPYJJXSA-N 2 1 380.536 3.903 20 0 GHADMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083767 1057585668 /nfs/dbraw/zinc/58/56/68/1057585668.db2.gz HZDLUYFCSPDQIR-UHFFFAOYSA-N 2 1 392.425 3.970 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001440865674 1058640243 /nfs/dbraw/zinc/64/02/43/1058640243.db2.gz RMJRJEJXEQWUGZ-XMMPIXPASA-N 2 1 391.559 3.551 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001440865674 1058640257 /nfs/dbraw/zinc/64/02/57/1058640257.db2.gz RMJRJEJXEQWUGZ-XMMPIXPASA-N 2 1 391.559 3.551 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001440865674 1058640264 /nfs/dbraw/zinc/64/02/64/1058640264.db2.gz RMJRJEJXEQWUGZ-XMMPIXPASA-N 2 1 391.559 3.551 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CN(C)Cc3ccccc3)cc2)C1 ZINC001441469998 1058789175 /nfs/dbraw/zinc/78/91/75/1058789175.db2.gz UFGADTHYASPFTM-OYRHEFFESA-N 2 1 393.575 3.913 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)Cc3ccccc3)cc2)C1 ZINC001441469998 1058789193 /nfs/dbraw/zinc/78/91/93/1058789193.db2.gz UFGADTHYASPFTM-OYRHEFFESA-N 2 1 393.575 3.913 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C[NH+](C)Cc3ccccc3)cc2)C1 ZINC001441469998 1058789210 /nfs/dbraw/zinc/78/92/10/1058789210.db2.gz UFGADTHYASPFTM-OYRHEFFESA-N 2 1 393.575 3.913 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)C1 ZINC001441469998 1058789230 /nfs/dbraw/zinc/78/92/30/1058789230.db2.gz UFGADTHYASPFTM-OYRHEFFESA-N 2 1 393.575 3.913 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)C1 ZINC001441469998 1058789252 /nfs/dbraw/zinc/78/92/52/1058789252.db2.gz UFGADTHYASPFTM-OYRHEFFESA-N 2 1 393.575 3.913 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001445091728 1059460228 /nfs/dbraw/zinc/46/02/28/1059460228.db2.gz QLEHZAORKIQSOH-ISKFKSNPSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001445091728 1059460236 /nfs/dbraw/zinc/46/02/36/1059460236.db2.gz QLEHZAORKIQSOH-ISKFKSNPSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[NH+]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001445091728 1059460250 /nfs/dbraw/zinc/46/02/50/1059460250.db2.gz QLEHZAORKIQSOH-ISKFKSNPSA-N 2 1 383.580 3.623 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc([C@H]3CCCC[NH2+]3)n2C)C1 ZINC001340061681 1059660113 /nfs/dbraw/zinc/66/01/13/1059660113.db2.gz JAWFOZBNPDVSNO-VAMGGRTRSA-N 2 1 386.584 3.566 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001448119557 1060113581 /nfs/dbraw/zinc/11/35/81/1060113581.db2.gz JZFVRXCFFJBNFS-GOTSBHOMSA-N 2 1 381.564 3.952 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001448573607 1060221525 /nfs/dbraw/zinc/22/15/25/1060221525.db2.gz USINTCNYQRTNEJ-PKTZIBPZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001448573607 1060221540 /nfs/dbraw/zinc/22/15/40/1060221540.db2.gz USINTCNYQRTNEJ-PKTZIBPZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001448573607 1060221554 /nfs/dbraw/zinc/22/15/54/1060221554.db2.gz USINTCNYQRTNEJ-PKTZIBPZSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001448573607 1060221568 /nfs/dbraw/zinc/22/15/68/1060221568.db2.gz USINTCNYQRTNEJ-PKTZIBPZSA-N 2 1 383.580 3.954 20 0 GHADMP C[C@]1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001448717491 1060248973 /nfs/dbraw/zinc/24/89/73/1060248973.db2.gz HIZFIQBMIJLRDM-ISKFKSNPSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@]1(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001448717491 1060248996 /nfs/dbraw/zinc/24/89/96/1060248996.db2.gz HIZFIQBMIJLRDM-ISKFKSNPSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@]1(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001448717491 1060249020 /nfs/dbraw/zinc/24/90/20/1060249020.db2.gz HIZFIQBMIJLRDM-ISKFKSNPSA-N 2 1 383.580 3.812 20 0 GHADMP CCOc1ccccc1[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001341714805 1060832522 /nfs/dbraw/zinc/83/25/22/1060832522.db2.gz QXGBMZQVAUQWIA-YUXAGFNASA-N 2 1 395.547 3.502 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001342063732 1061036843 /nfs/dbraw/zinc/03/68/43/1061036843.db2.gz YMENUIDVUWAQEP-QUCCMNQESA-N 2 1 375.557 3.792 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001342063732 1061036853 /nfs/dbraw/zinc/03/68/53/1061036853.db2.gz YMENUIDVUWAQEP-QUCCMNQESA-N 2 1 375.557 3.792 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001455184857 1062037675 /nfs/dbraw/zinc/03/76/75/1062037675.db2.gz VDKRGVKPMFJCQE-DHIUTWEWSA-N 2 1 397.607 3.868 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H](F)C1)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001455651124 1062249426 /nfs/dbraw/zinc/24/94/26/1062249426.db2.gz UGVAKGGDORFTDP-OAHLLOKOSA-N 2 1 387.421 3.674 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)Cc2cccs2)CC1 ZINC001459629204 1064150108 /nfs/dbraw/zinc/15/01/08/1064150108.db2.gz QPPFHNOTSPIYCJ-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)Cc2cccs2)CC1 ZINC001459629204 1064150111 /nfs/dbraw/zinc/15/01/11/1064150111.db2.gz QPPFHNOTSPIYCJ-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)Cc2cccs2)CC1 ZINC001459629204 1064150113 /nfs/dbraw/zinc/15/01/13/1064150113.db2.gz QPPFHNOTSPIYCJ-HXUWFJFHSA-N 2 1 399.604 3.654 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H](CC(C)C)C2)CC1 ZINC001459771854 1064209265 /nfs/dbraw/zinc/20/92/65/1064209265.db2.gz MKGPUBHXIQSTFY-JOCHJYFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](CC(C)C)C2)CC1 ZINC001459771854 1064209269 /nfs/dbraw/zinc/20/92/69/1064209269.db2.gz MKGPUBHXIQSTFY-JOCHJYFZSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](CC(C)C)C2)CC1 ZINC001459771854 1064209278 /nfs/dbraw/zinc/20/92/78/1064209278.db2.gz MKGPUBHXIQSTFY-JOCHJYFZSA-N 2 1 385.596 3.787 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)ccn1 ZINC001351118728 1064271876 /nfs/dbraw/zinc/27/18/76/1064271876.db2.gz XCKVQPBMQMJYHV-FQEVSTJZSA-N 2 1 385.556 3.596 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)ccn1 ZINC001351118728 1064271886 /nfs/dbraw/zinc/27/18/86/1064271886.db2.gz XCKVQPBMQMJYHV-FQEVSTJZSA-N 2 1 385.556 3.596 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)ccn1 ZINC001351118728 1064271898 /nfs/dbraw/zinc/27/18/98/1064271898.db2.gz XCKVQPBMQMJYHV-FQEVSTJZSA-N 2 1 385.556 3.596 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCc2nccn2C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459925831 1064277816 /nfs/dbraw/zinc/27/78/16/1064277816.db2.gz TULRLHBNIRPVKS-ICSRJNTNSA-N 2 1 382.552 3.742 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001463729164 1064575676 /nfs/dbraw/zinc/57/56/76/1064575676.db2.gz MHPSSTSDFHZXFC-YLJYHZDGSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001463729164 1064575690 /nfs/dbraw/zinc/57/56/90/1064575690.db2.gz MHPSSTSDFHZXFC-YLJYHZDGSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC001463729164 1064575703 /nfs/dbraw/zinc/57/57/03/1064575703.db2.gz MHPSSTSDFHZXFC-YLJYHZDGSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001463729164 1064575719 /nfs/dbraw/zinc/57/57/19/1064575719.db2.gz MHPSSTSDFHZXFC-YLJYHZDGSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001463729164 1064575734 /nfs/dbraw/zinc/57/57/34/1064575734.db2.gz MHPSSTSDFHZXFC-YLJYHZDGSA-N 2 1 377.960 3.685 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC001464885376 1065259176 /nfs/dbraw/zinc/25/91/76/1065259176.db2.gz DLRUNFXITMCCKP-DNQXCXABSA-N 2 1 393.575 3.913 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001465257115 1065504270 /nfs/dbraw/zinc/50/42/70/1065504270.db2.gz FJSGQPYLQNYAJD-RDPSFJRHSA-N 2 1 393.575 3.916 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001465666062 1065781096 /nfs/dbraw/zinc/78/10/96/1065781096.db2.gz NIJPIXFRGJEZDM-JOCHJYFZSA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001465666062 1065781113 /nfs/dbraw/zinc/78/11/13/1065781113.db2.gz NIJPIXFRGJEZDM-JOCHJYFZSA-N 2 1 387.543 3.703 20 0 GHADMP CN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001465743996 1065823666 /nfs/dbraw/zinc/82/36/66/1065823666.db2.gz AMJNEUJJNZARAY-XZOQPEGZSA-N 2 1 379.548 3.802 20 0 GHADMP Cc1ccccc1-c1cnc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC001465787312 1065856389 /nfs/dbraw/zinc/85/63/89/1065856389.db2.gz STRBXXMQBSLDOT-INIZCTEOSA-N 2 1 389.569 3.512 20 0 GHADMP Cc1ccccc1-c1cnc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC001465787312 1065856402 /nfs/dbraw/zinc/85/64/02/1065856402.db2.gz STRBXXMQBSLDOT-INIZCTEOSA-N 2 1 389.569 3.512 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1(C)C ZINC001200314887 1065902031 /nfs/dbraw/zinc/90/20/31/1065902031.db2.gz ROMVTIIBKGQJLN-VQTJNVASSA-N 2 1 394.003 3.954 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Oc1cccnc1 ZINC001200377072 1066028124 /nfs/dbraw/zinc/02/81/24/1066028124.db2.gz HYRPYTQOJVQWOF-JOCHJYFZSA-N 2 1 381.520 3.915 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC001468022522 1067569648 /nfs/dbraw/zinc/56/96/48/1067569648.db2.gz NCICFXBVKISDSG-YADHBBJMSA-N 2 1 380.536 3.555 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC001468022522 1067569654 /nfs/dbraw/zinc/56/96/54/1067569654.db2.gz NCICFXBVKISDSG-YADHBBJMSA-N 2 1 380.536 3.555 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001468349858 1067698039 /nfs/dbraw/zinc/69/80/39/1067698039.db2.gz GZVSGUZQMZKLPU-REWPJTCUSA-N 2 1 396.579 3.808 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001477786934 1078566661 /nfs/dbraw/zinc/56/66/61/1078566661.db2.gz IGFHJYGQLTYHQR-YPAWHYETSA-N 2 1 386.584 3.555 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001477796570 1078570166 /nfs/dbraw/zinc/57/01/66/1078570166.db2.gz ANRRKOPZHAYXRD-QFIPXVFZSA-N 2 1 392.632 3.939 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001477796570 1078570170 /nfs/dbraw/zinc/57/01/70/1078570170.db2.gz ANRRKOPZHAYXRD-QFIPXVFZSA-N 2 1 392.632 3.939 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001477796570 1078570175 /nfs/dbraw/zinc/57/01/75/1078570175.db2.gz ANRRKOPZHAYXRD-QFIPXVFZSA-N 2 1 392.632 3.939 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC001468423684 1067726466 /nfs/dbraw/zinc/72/64/66/1067726466.db2.gz PSJOXNPKLTWCCI-LJQANCHMSA-N 2 1 377.960 3.714 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001468631124 1067797682 /nfs/dbraw/zinc/79/76/82/1067797682.db2.gz PPPRRUJLHIQLPH-RTWAWAEBSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001468631124 1067797690 /nfs/dbraw/zinc/79/76/90/1067797690.db2.gz PPPRRUJLHIQLPH-RTWAWAEBSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001468631124 1067797695 /nfs/dbraw/zinc/79/76/95/1067797695.db2.gz PPPRRUJLHIQLPH-RTWAWAEBSA-N 2 1 378.605 3.737 20 0 GHADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC001468978405 1067943011 /nfs/dbraw/zinc/94/30/11/1067943011.db2.gz TVOOFBFDSFYECB-IEBWSBKVSA-N 2 1 392.613 3.647 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1cccs1 ZINC001468978873 1067943045 /nfs/dbraw/zinc/94/30/45/1067943045.db2.gz WQOINHWNNJKPMQ-FUHWJXTLSA-N 2 1 392.613 3.693 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC001469160170 1068001992 /nfs/dbraw/zinc/00/19/92/1068001992.db2.gz GXIGVTYNWYVHLB-OOMBGRCJSA-N 2 1 398.595 3.666 20 0 GHADMP c1cc(NCc2ccc(OCC[NH+]3CCCC3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000543693801 1068051464 /nfs/dbraw/zinc/05/14/64/1068051464.db2.gz AWPIKZWWKTYXMM-UHFFFAOYSA-N 2 1 381.524 3.554 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)c1 ZINC001469385350 1068135974 /nfs/dbraw/zinc/13/59/74/1068135974.db2.gz NAGAFEUKDVVPEN-PMACEKPBSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001469385350 1068135976 /nfs/dbraw/zinc/13/59/76/1068135976.db2.gz NAGAFEUKDVVPEN-PMACEKPBSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001469385350 1068135981 /nfs/dbraw/zinc/13/59/81/1068135981.db2.gz NAGAFEUKDVVPEN-PMACEKPBSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001469386071 1068136956 /nfs/dbraw/zinc/13/69/56/1068136956.db2.gz WNSBQGZDQRHBHK-VXKWHMMOSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001469386071 1068136963 /nfs/dbraw/zinc/13/69/63/1068136963.db2.gz WNSBQGZDQRHBHK-VXKWHMMOSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001469386071 1068136967 /nfs/dbraw/zinc/13/69/67/1068136967.db2.gz WNSBQGZDQRHBHK-VXKWHMMOSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC001469754810 1068362643 /nfs/dbraw/zinc/36/26/43/1068362643.db2.gz WBTDHZOQWGTBJE-NNMXDRDESA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001469754810 1068362656 /nfs/dbraw/zinc/36/26/56/1068362656.db2.gz WBTDHZOQWGTBJE-NNMXDRDESA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001469754810 1068362669 /nfs/dbraw/zinc/36/26/69/1068362669.db2.gz WBTDHZOQWGTBJE-NNMXDRDESA-N 2 1 390.616 3.736 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC001470077030 1068558444 /nfs/dbraw/zinc/55/84/44/1068558444.db2.gz JPIWJNDZJJWPBO-QHCPKHFHSA-N 2 1 398.595 3.735 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001470086941 1068565126 /nfs/dbraw/zinc/56/51/26/1068565126.db2.gz JHGWDPBJIWXPKB-VABKMULXSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001470086941 1068565134 /nfs/dbraw/zinc/56/51/34/1068565134.db2.gz JHGWDPBJIWXPKB-VABKMULXSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001470086941 1068565137 /nfs/dbraw/zinc/56/51/37/1068565137.db2.gz JHGWDPBJIWXPKB-VABKMULXSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC001470094027 1068568274 /nfs/dbraw/zinc/56/82/74/1068568274.db2.gz JBYVHUUAGAAACY-VIZSFHNOSA-N 2 1 394.563 3.594 20 0 GHADMP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC001470094027 1068568287 /nfs/dbraw/zinc/56/82/87/1068568287.db2.gz JBYVHUUAGAAACY-VIZSFHNOSA-N 2 1 394.563 3.594 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC001470133779 1068589619 /nfs/dbraw/zinc/58/96/19/1068589619.db2.gz YYZIVUKIBRYXCB-IBGZPJMESA-N 2 1 392.975 3.603 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC001470370909 1068706288 /nfs/dbraw/zinc/70/62/88/1068706288.db2.gz LRMGBPKXPFNMIK-QNGMFEMESA-N 2 1 380.621 3.649 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618807 1078937406 /nfs/dbraw/zinc/93/74/06/1078937406.db2.gz UOFDVHFXZUFLJL-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP C[N@H+]1CC[C@@H]1CNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001471409326 1073059825 /nfs/dbraw/zinc/05/98/25/1073059825.db2.gz GWKLLXLWJUFLSU-PKTZIBPZSA-N 2 1 398.595 3.557 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1CC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC001478928479 1079030044 /nfs/dbraw/zinc/03/00/44/1079030044.db2.gz BFMPEAUQCQVOLU-UHFFFAOYSA-N 2 1 388.600 3.805 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001478984307 1079051354 /nfs/dbraw/zinc/05/13/54/1079051354.db2.gz MINFFAKLJHDNGO-RBBKRZOGSA-N 2 1 390.616 3.691 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001471918983 1073259865 /nfs/dbraw/zinc/25/98/65/1073259865.db2.gz ADMXMEPUCZBLDJ-WQMHRJNTSA-N 2 1 387.543 3.703 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001471918983 1073259873 /nfs/dbraw/zinc/25/98/73/1073259873.db2.gz ADMXMEPUCZBLDJ-WQMHRJNTSA-N 2 1 387.543 3.703 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001472631350 1073586578 /nfs/dbraw/zinc/58/65/78/1073586578.db2.gz VCSQVFUGEUBURA-JOCHJYFZSA-N 2 1 379.548 3.746 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001473144623 1073805462 /nfs/dbraw/zinc/80/54/62/1073805462.db2.gz XIRDINGYRWCYOT-ZRZAMGCNSA-N 2 1 398.639 3.663 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC(C)(C)CC2)CC1 ZINC001473223595 1073872204 /nfs/dbraw/zinc/87/22/04/1073872204.db2.gz ZEVZXWZZTAVSAV-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC(C)(C)CC2)CC1 ZINC001473223595 1073872208 /nfs/dbraw/zinc/87/22/08/1073872208.db2.gz ZEVZXWZZTAVSAV-UHFFFAOYSA-N 2 1 385.596 3.930 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC001473407034 1073952605 /nfs/dbraw/zinc/95/26/05/1073952605.db2.gz MMBVQLMFXKUEGN-LPHOPBHVSA-N 2 1 388.474 3.811 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCSC(F)(F)F)C2)ccn1 ZINC001473670013 1074076002 /nfs/dbraw/zinc/07/60/02/1074076002.db2.gz GBNONRNAMNRIPI-MRXNPFEDSA-N 2 1 377.476 3.628 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCSC(F)(F)F)C2)ccn1 ZINC001473670013 1074076007 /nfs/dbraw/zinc/07/60/07/1074076007.db2.gz GBNONRNAMNRIPI-MRXNPFEDSA-N 2 1 377.476 3.628 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCSC(F)(F)F)C2)ccn1 ZINC001473670013 1074076012 /nfs/dbraw/zinc/07/60/12/1074076012.db2.gz GBNONRNAMNRIPI-MRXNPFEDSA-N 2 1 377.476 3.628 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718657 1074105159 /nfs/dbraw/zinc/10/51/59/1074105159.db2.gz NJEXLXZMAPFANF-PLQXJYEYSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718657 1074105165 /nfs/dbraw/zinc/10/51/65/1074105165.db2.gz NJEXLXZMAPFANF-PLQXJYEYSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718657 1074105170 /nfs/dbraw/zinc/10/51/70/1074105170.db2.gz NJEXLXZMAPFANF-PLQXJYEYSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001473718657 1074105175 /nfs/dbraw/zinc/10/51/75/1074105175.db2.gz NJEXLXZMAPFANF-PLQXJYEYSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001473836343 1074166360 /nfs/dbraw/zinc/16/63/60/1074166360.db2.gz CGEVYGWEZHXHRT-UHFFFAOYSA-N 2 1 392.543 3.989 20 0 GHADMP COc1cccc2c1CCC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C2 ZINC001473913475 1074201475 /nfs/dbraw/zinc/20/14/75/1074201475.db2.gz FOFXZWUNEXIQAG-CTNGQTDRSA-N 2 1 399.604 3.582 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Br)c2ccccc2n1C ZINC001473928101 1074207483 /nfs/dbraw/zinc/20/74/83/1074207483.db2.gz DHNCUMHRUYRPKU-CYBMUJFWSA-N 2 1 375.314 3.872 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC001473935858 1074210591 /nfs/dbraw/zinc/21/05/91/1074210591.db2.gz GADAPTNHWBBHFR-RDGATRHJSA-N 2 1 399.623 3.899 20 0 GHADMP c1cn(-c2ccccc2)nc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001473962966 1074219311 /nfs/dbraw/zinc/21/93/11/1074219311.db2.gz COEIXLFQTOWNSL-UHFFFAOYSA-N 2 1 376.504 3.637 20 0 GHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019048 1074237722 /nfs/dbraw/zinc/23/77/22/1074237722.db2.gz LOXXCIFXOVDOSN-UTKZUKDTSA-N 2 1 381.549 3.716 20 0 GHADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2cccnc2)n1 ZINC001474019048 1074237729 /nfs/dbraw/zinc/23/77/29/1074237729.db2.gz LOXXCIFXOVDOSN-UTKZUKDTSA-N 2 1 381.549 3.716 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001474027869 1074241446 /nfs/dbraw/zinc/24/14/46/1074241446.db2.gz JUGFYNNJVFEFFY-ZWKOTPCHSA-N 2 1 399.373 3.827 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3nccn3C3CC3)cc2)C[C@H]1C ZINC001474093178 1074261204 /nfs/dbraw/zinc/26/12/04/1074261204.db2.gz ZMOAIOAVVUXFSZ-KDURUIRLSA-N 2 1 382.552 3.517 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(F)F)c(F)c3)CC2)CC1 ZINC001474337234 1074351265 /nfs/dbraw/zinc/35/12/65/1074351265.db2.gz WEXSKSCNKABVBN-UHFFFAOYSA-N 2 1 397.485 3.530 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC001474436956 1074406320 /nfs/dbraw/zinc/40/63/20/1074406320.db2.gz QLOOSMTUVBZXIF-HXUWFJFHSA-N 2 1 379.331 3.892 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)ccnc12 ZINC001474501133 1074434679 /nfs/dbraw/zinc/43/46/79/1074434679.db2.gz VBVKMKFOMFIYCE-UHFFFAOYSA-N 2 1 377.488 3.715 20 0 GHADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[NH+]2CCCCCC2)[nH+]1 ZINC000737241484 598794480 /nfs/dbraw/zinc/79/44/80/598794480.db2.gz RDCCLURPQWNKKL-UHFFFAOYSA-N 2 1 391.523 3.867 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164635333 719237280 /nfs/dbraw/zinc/23/72/80/719237280.db2.gz PRDOEFLZQWACHC-UONOGXRCSA-N 2 1 375.586 3.679 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164635333 719237283 /nfs/dbraw/zinc/23/72/83/719237283.db2.gz PRDOEFLZQWACHC-UONOGXRCSA-N 2 1 375.586 3.679 20 0 GHADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]ccc4c2ccn4C)CC3)cs1 ZINC001164693869 719806144 /nfs/dbraw/zinc/80/61/44/719806144.db2.gz VMSRBMCZYKCSQB-UHFFFAOYSA-N 2 1 381.549 3.973 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C)c(C)[nH+]1)CC2 ZINC001164718560 720112748 /nfs/dbraw/zinc/11/27/48/720112748.db2.gz SHTDQJHHBSDILA-NRFANRHFSA-N 2 1 380.536 3.601 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c(C)c[nH+]1)CC2 ZINC001164714833 720147252 /nfs/dbraw/zinc/14/72/52/720147252.db2.gz ZQUMKHFNROMYNT-OAQYLSRUSA-N 2 1 380.536 3.601 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164908891 721749962 /nfs/dbraw/zinc/74/99/62/721749962.db2.gz NRQYAFLVRFLIEN-UHFFFAOYSA-N 2 1 387.487 3.756 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164908891 721749966 /nfs/dbraw/zinc/74/99/66/721749966.db2.gz NRQYAFLVRFLIEN-UHFFFAOYSA-N 2 1 387.487 3.756 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000431770355 837421700 /nfs/dbraw/zinc/42/17/00/837421700.db2.gz KWPAAXPCEDMVHD-IRLDBZIGSA-N 2 1 375.601 3.754 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647544017 837475968 /nfs/dbraw/zinc/47/59/68/837475968.db2.gz VOWZNCBEKWYSJS-CABCVRRESA-N 2 1 397.357 3.678 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000431788614 837510137 /nfs/dbraw/zinc/51/01/37/837510137.db2.gz LSAJKGCTLIOXAC-IAGOWNOFSA-N 2 1 391.522 3.666 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000431788614 837510142 /nfs/dbraw/zinc/51/01/42/837510142.db2.gz LSAJKGCTLIOXAC-IAGOWNOFSA-N 2 1 391.522 3.666 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000431788614 837510146 /nfs/dbraw/zinc/51/01/46/837510146.db2.gz LSAJKGCTLIOXAC-IAGOWNOFSA-N 2 1 391.522 3.666 20 0 GHADMP Brc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000655696924 837688074 /nfs/dbraw/zinc/68/80/74/837688074.db2.gz BOSBLIBZPXJYKN-IBGZPJMESA-N 2 1 393.369 3.714 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000471408596 837712405 /nfs/dbraw/zinc/71/24/05/837712405.db2.gz DRWDQYQOBTVBOG-UHFFFAOYSA-N 2 1 391.559 3.737 20 0 GHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655718886 837731428 /nfs/dbraw/zinc/73/14/28/837731428.db2.gz FPBDOHUAJHLNCU-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655718886 837731436 /nfs/dbraw/zinc/73/14/36/837731436.db2.gz FPBDOHUAJHLNCU-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655722797 837740386 /nfs/dbraw/zinc/74/03/86/837740386.db2.gz IOHYRRPPTGTQMY-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655722797 837740397 /nfs/dbraw/zinc/74/03/97/837740397.db2.gz IOHYRRPPTGTQMY-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000583470231 834427984 /nfs/dbraw/zinc/42/79/84/834427984.db2.gz BSIYECOCWKNCFA-XMMPIXPASA-N 2 1 392.591 3.938 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(COC)o2)CC1 ZINC000127369588 834437164 /nfs/dbraw/zinc/43/71/64/834437164.db2.gz KUAJPEQVLMIBTE-MRXNPFEDSA-N 2 1 375.488 3.558 20 0 GHADMP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655733002 837770373 /nfs/dbraw/zinc/77/03/73/837770373.db2.gz HROADAGIRUKYDK-PBHICJAKSA-N 2 1 399.348 3.752 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654730412 834450804 /nfs/dbraw/zinc/45/08/04/834450804.db2.gz QJNWCNUXJHZPJM-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654730412 834450811 /nfs/dbraw/zinc/45/08/11/834450811.db2.gz QJNWCNUXJHZPJM-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654730412 834450821 /nfs/dbraw/zinc/45/08/21/834450821.db2.gz QJNWCNUXJHZPJM-ZLNRFVROSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583508787 834527014 /nfs/dbraw/zinc/52/70/14/834527014.db2.gz UKBGGIOWZNHVBC-QHCPKHFHSA-N 2 1 379.548 3.619 20 0 GHADMP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000238063534 837780564 /nfs/dbraw/zinc/78/05/64/837780564.db2.gz ADUAHMPPBUZXDT-UHFFFAOYSA-N 2 1 385.511 3.693 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC3CC3)C2)C1 ZINC000650707985 834547772 /nfs/dbraw/zinc/54/77/72/834547772.db2.gz RCJXEHVJGDXJDZ-SCWSEQNSSA-N 2 1 378.944 3.847 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC(C)(C)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000458572640 834556834 /nfs/dbraw/zinc/55/68/34/834556834.db2.gz BUQTVPBOAWLZPP-TZIWHRDSSA-N 2 1 388.600 3.707 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Br)C2)C1 ZINC000650708466 834566348 /nfs/dbraw/zinc/56/63/48/834566348.db2.gz ZYSVWUPCGXINFQ-LXZKKBNFSA-N 2 1 387.749 3.821 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000583526366 834570697 /nfs/dbraw/zinc/57/06/97/834570697.db2.gz IKBWJMOANSCVPN-VGSGFSFPSA-N 2 1 382.552 3.623 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(=O)NCc1cccs1 ZINC000647333846 834572643 /nfs/dbraw/zinc/57/26/43/834572643.db2.gz APFLROGTAJIIFB-GCJKJVERSA-N 2 1 399.604 3.828 20 0 GHADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1CCCc1ccccc1 ZINC000090219273 834603683 /nfs/dbraw/zinc/60/36/83/834603683.db2.gz ZFAFBJHYQHGGAA-HSZRJFAPSA-N 2 1 383.580 3.607 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000090585224 834617310 /nfs/dbraw/zinc/61/73/10/834617310.db2.gz UNGVYSHLFLPGNM-OAQYLSRUSA-N 2 1 375.576 3.790 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000090585224 834617313 /nfs/dbraw/zinc/61/73/13/834617313.db2.gz UNGVYSHLFLPGNM-OAQYLSRUSA-N 2 1 375.576 3.790 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000090585224 834617316 /nfs/dbraw/zinc/61/73/16/834617316.db2.gz UNGVYSHLFLPGNM-OAQYLSRUSA-N 2 1 375.576 3.790 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)[C@@H]2CCCO2)cc1 ZINC000643548487 834706063 /nfs/dbraw/zinc/70/60/63/834706063.db2.gz QCTHMLYFZVUPTI-BZSNNMDCSA-N 2 1 379.342 3.934 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000143597850 834798241 /nfs/dbraw/zinc/79/82/41/834798241.db2.gz OVMUAQZAGVMMLW-RDPSFJRHSA-N 2 1 391.559 3.850 20 0 GHADMP CN(c1ccccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000151081219 834807125 /nfs/dbraw/zinc/80/71/25/834807125.db2.gz IHUWDBZGKSYXLA-UHFFFAOYSA-N 3 1 384.612 3.714 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3CCC(C(C)C)CC3)CC2)CC1 ZINC000654928611 834808122 /nfs/dbraw/zinc/80/81/22/834808122.db2.gz DCUHQTSGTJCQMR-UHFFFAOYSA-N 2 1 377.617 3.761 20 0 GHADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657876892 834880555 /nfs/dbraw/zinc/88/05/55/834880555.db2.gz PGSQUUQWTRXOGH-SFHVURJKSA-N 2 1 399.501 3.559 20 0 GHADMP O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc(Cn2ccnc2)c1 ZINC000138597903 834902471 /nfs/dbraw/zinc/90/24/71/834902471.db2.gz NYZMAMQEOZJWKY-UHFFFAOYSA-N 2 1 392.528 3.733 20 0 GHADMP Cc1nc2cccc(Cl)c2cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001125287265 834956649 /nfs/dbraw/zinc/95/66/49/834956649.db2.gz KLBWKLIDIQGKRH-UHFFFAOYSA-N 2 1 395.894 3.596 20 0 GHADMP c1ccc2c(c1)OC1(CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C1)O2 ZINC000685477053 835039779 /nfs/dbraw/zinc/03/97/79/835039779.db2.gz XAVHJUJFXIIHHO-UHFFFAOYSA-N 2 1 380.488 3.535 20 0 GHADMP c1ccc2c(c1)OC1(CC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C1)O2 ZINC000685477053 835039789 /nfs/dbraw/zinc/03/97/89/835039789.db2.gz XAVHJUJFXIIHHO-UHFFFAOYSA-N 2 1 380.488 3.535 20 0 GHADMP Cc1cc(C)n2c(C[N@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)cnc2n1 ZINC000472341750 835147764 /nfs/dbraw/zinc/14/77/64/835147764.db2.gz HFXMDGZOKVIFQR-RBBKRZOGSA-N 2 1 377.536 3.518 20 0 GHADMP CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000685603692 835212969 /nfs/dbraw/zinc/21/29/69/835212969.db2.gz BWPCQYYTTAYGFL-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]([C@@H]4CCCC4(C)C)C3)CC2)CC1 ZINC000655160299 835317084 /nfs/dbraw/zinc/31/70/84/835317084.db2.gz OQKZLGLNTRJWGC-UNMCSNQZSA-N 2 1 389.628 3.858 20 0 GHADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657970501 835326901 /nfs/dbraw/zinc/32/69/01/835326901.db2.gz FAVSLVXQDVVIGY-CJRSTVEYSA-N 2 1 386.580 3.708 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000658136509 835446033 /nfs/dbraw/zinc/44/60/33/835446033.db2.gz HIONKUZBVIPDCE-DNVCBOLYSA-N 2 1 398.938 3.644 20 0 GHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658137751 835462824 /nfs/dbraw/zinc/46/28/24/835462824.db2.gz IGNAUMYRBYKWCT-MHECFPHRSA-N 2 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658137751 835462830 /nfs/dbraw/zinc/46/28/30/835462830.db2.gz IGNAUMYRBYKWCT-MHECFPHRSA-N 3 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658137751 835462836 /nfs/dbraw/zinc/46/28/36/835462836.db2.gz IGNAUMYRBYKWCT-MHECFPHRSA-N 3 1 390.531 3.598 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000648211119 835570517 /nfs/dbraw/zinc/57/05/17/835570517.db2.gz JILFAAUNYLPLCL-JOCHJYFZSA-N 2 1 377.532 3.723 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000179679128 835738877 /nfs/dbraw/zinc/73/88/77/835738877.db2.gz MKLAEDFAJXQGGI-UHFFFAOYSA-N 2 1 378.948 3.558 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)Cc1ccccc1 ZINC000151729914 835785190 /nfs/dbraw/zinc/78/51/90/835785190.db2.gz HRLKYAJSNVECIS-GVXSCFBNSA-N 2 1 394.607 3.835 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000584360935 835909940 /nfs/dbraw/zinc/90/99/40/835909940.db2.gz WAFIUXQBKYVMNQ-VWLOTQADSA-N 2 1 397.607 3.710 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccnc(N5CCCC5)c4)[C@@H]3C2)cc1 ZINC000180157934 836099474 /nfs/dbraw/zinc/09/94/74/836099474.db2.gz VSFOTZHGKRXPND-ZRBLBEILSA-N 2 1 376.548 3.682 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647479695 836192853 /nfs/dbraw/zinc/19/28/53/836192853.db2.gz PWBFMIPPVIMYQR-ICSRJNTNSA-N 2 1 392.469 3.914 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647479695 836192855 /nfs/dbraw/zinc/19/28/55/836192855.db2.gz PWBFMIPPVIMYQR-ICSRJNTNSA-N 2 1 392.469 3.914 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000547764039 836218136 /nfs/dbraw/zinc/21/81/36/836218136.db2.gz PBJHSXXPYPIISJ-HSZRJFAPSA-N 2 1 393.575 3.823 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483677 844153229 /nfs/dbraw/zinc/15/32/29/844153229.db2.gz IFANADGNQXZXAA-NNWRFLSQSA-N 2 1 399.604 3.622 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000549719652 844161662 /nfs/dbraw/zinc/16/16/62/844161662.db2.gz AZIVINWXCNUYQV-JZXOWHBKSA-N 2 1 395.385 3.785 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413898394 836689600 /nfs/dbraw/zinc/68/96/00/836689600.db2.gz GKJAQRJXRXACJS-IBGZPJMESA-N 2 1 399.510 3.617 20 0 GHADMP C[N@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000582005135 844192665 /nfs/dbraw/zinc/19/26/65/844192665.db2.gz OFWCLNDKRUPNES-SFHVURJKSA-N 2 1 393.622 3.640 20 0 GHADMP C[N@@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000582005135 844192674 /nfs/dbraw/zinc/19/26/74/844192674.db2.gz OFWCLNDKRUPNES-SFHVURJKSA-N 2 1 393.622 3.640 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376062010 836717446 /nfs/dbraw/zinc/71/74/46/836717446.db2.gz NOWYKBZKEGJRQH-OTNPHJDUSA-N 2 1 396.535 3.667 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175325596 836771722 /nfs/dbraw/zinc/77/17/22/836771722.db2.gz HHEGIHGCLFSTGB-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431696514 836904662 /nfs/dbraw/zinc/90/46/62/836904662.db2.gz DNTVZKWLYFBRFP-PUHATCMVSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000500863424 844215537 /nfs/dbraw/zinc/21/55/37/844215537.db2.gz SCVQKPOIGJLMDX-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(C)cc1C ZINC001167227434 836960412 /nfs/dbraw/zinc/96/04/12/836960412.db2.gz PTWPVKOBBHIFQS-UHFFFAOYSA-N 2 1 382.548 3.784 20 0 GHADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(C)cc1C ZINC001167227434 836960423 /nfs/dbraw/zinc/96/04/23/836960423.db2.gz PTWPVKOBBHIFQS-UHFFFAOYSA-N 2 1 382.548 3.784 20 0 GHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc[nH+]cc1Br ZINC000548490442 844236588 /nfs/dbraw/zinc/23/65/88/844236588.db2.gz RCAXAFZBKUYDGR-UHFFFAOYSA-N 2 1 375.314 3.982 20 0 GHADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826087 837157540 /nfs/dbraw/zinc/15/75/40/837157540.db2.gz WJQSUAZCAUXCAG-WDSOQIARSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826087 837157546 /nfs/dbraw/zinc/15/75/46/837157546.db2.gz WJQSUAZCAUXCAG-WDSOQIARSA-N 2 1 399.485 3.570 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000547828511 837162081 /nfs/dbraw/zinc/16/20/81/837162081.db2.gz RHCQWPGFLAYQDK-XXBNENTESA-N 2 1 379.548 3.827 20 0 GHADMP C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828169 837169071 /nfs/dbraw/zinc/16/90/71/837169071.db2.gz OFWPVKXOBKIMER-DWLFOUALSA-N 2 1 377.532 3.572 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000473350949 844243088 /nfs/dbraw/zinc/24/30/88/844243088.db2.gz OTQWWJGUVZFZKZ-LJQANCHMSA-N 2 1 399.501 3.906 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000473350949 844243098 /nfs/dbraw/zinc/24/30/98/844243098.db2.gz OTQWWJGUVZFZKZ-LJQANCHMSA-N 2 1 399.501 3.906 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)[C@@H](C)C1 ZINC000414345658 837257752 /nfs/dbraw/zinc/25/77/52/837257752.db2.gz FABUKYPCFQTYOW-OXJNMPFZSA-N 2 1 394.401 3.733 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685848023 837269428 /nfs/dbraw/zinc/26/94/28/837269428.db2.gz OGSBCGRTGJZFBI-QMEWPPBRSA-N 2 1 393.522 3.792 20 0 GHADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)cc(OC)c1OCc1ccccc1 ZINC000052119990 844278833 /nfs/dbraw/zinc/27/88/33/844278833.db2.gz CZCNJYNICBHOAN-UHFFFAOYSA-N 2 1 381.476 3.578 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000415899181 838252375 /nfs/dbraw/zinc/25/23/75/838252375.db2.gz JBUOAXIREYYZNL-FQEVSTJZSA-N 2 1 380.536 3.830 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415906762 838261101 /nfs/dbraw/zinc/26/11/01/838261101.db2.gz LRNZKPCPLQOOSB-NRFANRHFSA-N 2 1 380.536 3.782 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415912285 838267982 /nfs/dbraw/zinc/26/79/82/838267982.db2.gz LFABPFBAOSZFON-RXVVDRJESA-N 2 1 380.536 3.923 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000415952189 838308494 /nfs/dbraw/zinc/30/84/94/838308494.db2.gz IZJDUQKNFNDCQK-KRWDZBQOSA-N 2 1 386.565 3.891 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690739 838312619 /nfs/dbraw/zinc/31/26/19/838312619.db2.gz OMKIKFIIVLMNFZ-JLLPCOHGSA-N 2 1 394.559 3.828 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)N1CCCc2ccccc21 ZINC001167326765 838363604 /nfs/dbraw/zinc/36/36/04/838363604.db2.gz QMJHWGZTXJPQCN-NRFANRHFSA-N 2 1 383.580 3.944 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000415997344 838375222 /nfs/dbraw/zinc/37/52/22/838375222.db2.gz PDWNQUOFLITFSD-XMMPIXPASA-N 2 1 390.531 3.810 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275690994 838425096 /nfs/dbraw/zinc/42/50/96/838425096.db2.gz WYGSLIGUXHOHQP-GBAJDQEWSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275690994 838425099 /nfs/dbraw/zinc/42/50/99/838425099.db2.gz WYGSLIGUXHOHQP-GBAJDQEWSA-N 2 1 382.552 3.766 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000416158661 838651911 /nfs/dbraw/zinc/65/19/11/838651911.db2.gz TZLHYVGFKWIGML-AUSIDOKSSA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000416158661 838651916 /nfs/dbraw/zinc/65/19/16/838651916.db2.gz TZLHYVGFKWIGML-AUSIDOKSSA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)CC[N@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000416158661 838651924 /nfs/dbraw/zinc/65/19/24/838651924.db2.gz TZLHYVGFKWIGML-AUSIDOKSSA-N 2 1 397.588 3.696 20 0 GHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000376740484 838683872 /nfs/dbraw/zinc/68/38/72/838683872.db2.gz VOEHYCWZACQRTD-CQSZACIVSA-N 2 1 391.541 3.678 20 0 GHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000376740484 838683877 /nfs/dbraw/zinc/68/38/77/838683877.db2.gz VOEHYCWZACQRTD-CQSZACIVSA-N 2 1 391.541 3.678 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000610368610 838729233 /nfs/dbraw/zinc/72/92/33/838729233.db2.gz DFAXGHADMBKGKF-UHFFFAOYSA-N 2 1 386.321 3.843 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000610368610 838729237 /nfs/dbraw/zinc/72/92/37/838729237.db2.gz DFAXGHADMBKGKF-UHFFFAOYSA-N 2 1 386.321 3.843 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000893198429 838814081 /nfs/dbraw/zinc/81/40/81/838814081.db2.gz ICYJXLANXZZZLC-CMKODMSKSA-N 2 1 392.613 3.504 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000580089070 838838479 /nfs/dbraw/zinc/83/84/79/838838479.db2.gz XFFOJVGUISQVFK-KDURUIRLSA-N 2 1 379.548 3.596 20 0 GHADMP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549414665 838838806 /nfs/dbraw/zinc/83/88/06/838838806.db2.gz DQEYLLBUGAABJD-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000580122937 838908632 /nfs/dbraw/zinc/90/86/32/838908632.db2.gz UQTDILMCEQXNOW-XLIONFOSSA-N 2 1 399.501 3.936 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000189094319 839078255 /nfs/dbraw/zinc/07/82/55/839078255.db2.gz DNEGVZYCUBAOAI-JPYJTQIMSA-N 2 1 388.515 3.941 20 0 GHADMP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)c(Br)c1O ZINC000415050088 839118246 /nfs/dbraw/zinc/11/82/46/839118246.db2.gz IHVOOHFKQLIDAU-OAHLLOKOSA-N 2 1 379.298 3.733 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC000580256184 839135564 /nfs/dbraw/zinc/13/55/64/839135564.db2.gz YPEYELHYPGVARK-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3C[C@H]2C)CC1 ZINC000580256184 839135571 /nfs/dbraw/zinc/13/55/71/839135571.db2.gz YPEYELHYPGVARK-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415056212 839138230 /nfs/dbraw/zinc/13/82/30/839138230.db2.gz PNGTTWONVVMGEV-UHFFFAOYSA-N 2 1 379.548 3.668 20 0 GHADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc(Br)c1OC(F)F ZINC000415067775 839155748 /nfs/dbraw/zinc/15/57/48/839155748.db2.gz PPQKWFCEUWPDMN-ZDUSSCGKSA-N 2 1 393.272 3.666 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000415106427 839202329 /nfs/dbraw/zinc/20/23/29/839202329.db2.gz JKFVSHJTWFMXEQ-SJORKVTESA-N 2 1 387.749 3.821 20 0 GHADMP Cc1ccc(-c2ncc(CNCC3([NH3+])CC[NH+](Cc4ccccc4)CC3)s2)o1 ZINC000415125347 839247157 /nfs/dbraw/zinc/24/71/57/839247157.db2.gz DKAGUHKZLKGBHZ-UHFFFAOYSA-N 2 1 396.560 3.795 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)cc1C[NH+]1CCCCC1 ZINC000183391764 839293028 /nfs/dbraw/zinc/29/30/28/839293028.db2.gz YQQHVQLUXUVOHQ-GOSISDBHSA-N 2 1 382.552 3.993 20 0 GHADMP C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377385221 839421226 /nfs/dbraw/zinc/42/12/26/839421226.db2.gz COIOGUAARSEMFH-NFBKMPQASA-N 2 1 391.559 3.791 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@H](C[NH+](C)C)C4)cc3)nc12 ZINC000125535448 839517089 /nfs/dbraw/zinc/51/70/89/839517089.db2.gz HBKYJJHZNYQJMM-HXUWFJFHSA-N 2 1 378.520 3.605 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H](C[NH+](C)C)C4)cc3)nc12 ZINC000125535448 839517099 /nfs/dbraw/zinc/51/70/99/839517099.db2.gz HBKYJJHZNYQJMM-HXUWFJFHSA-N 2 1 378.520 3.605 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309791712 839518426 /nfs/dbraw/zinc/51/84/26/839518426.db2.gz OUFFJBACVOGNHX-FTEYMNFISA-N 2 1 375.557 3.788 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000066793799 839765497 /nfs/dbraw/zinc/76/54/97/839765497.db2.gz SKZFPQCXHGERPP-HSZRJFAPSA-N 2 1 377.532 3.762 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000066793799 839765500 /nfs/dbraw/zinc/76/55/00/839765500.db2.gz SKZFPQCXHGERPP-HSZRJFAPSA-N 2 1 377.532 3.762 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000644523948 839773603 /nfs/dbraw/zinc/77/36/03/839773603.db2.gz CDRLMVXFFIWXMN-VWBWNGLSSA-N 2 1 394.559 3.678 20 0 GHADMP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1OC ZINC000580551927 839795004 /nfs/dbraw/zinc/79/50/04/839795004.db2.gz BYNPVRQTWKLZRO-SZMVWBNQSA-N 2 1 387.549 3.777 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1OC ZINC000580551927 839795008 /nfs/dbraw/zinc/79/50/08/839795008.db2.gz BYNPVRQTWKLZRO-SZMVWBNQSA-N 2 1 387.549 3.777 20 0 GHADMP Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000580553011 839797425 /nfs/dbraw/zinc/79/74/25/839797425.db2.gz LKZIFOISXJZIIX-NOZRDPDXSA-N 2 1 394.559 3.678 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)c1ccccc1Cl ZINC000416861807 840229118 /nfs/dbraw/zinc/22/91/18/840229118.db2.gz XGUHSRKPVZGYNY-VQTJNVASSA-N 2 1 388.943 3.722 20 0 GHADMP C[NH2+]CCC1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000416970614 840327287 /nfs/dbraw/zinc/32/72/87/840327287.db2.gz FLZGMMXKYHRGTF-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000416971377 840327911 /nfs/dbraw/zinc/32/79/11/840327911.db2.gz PRHKWFAIVIDAIP-JOCHJYFZSA-N 2 1 382.552 3.806 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2cccc(N[C@H]3CC[NH+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719963 840666168 /nfs/dbraw/zinc/66/61/68/840666168.db2.gz BJYLORHCNGQZQQ-ZEQRLZLVSA-N 2 1 391.559 3.862 20 0 GHADMP O[C@H]1CC[NH+](Cc2cccc(N[C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719963 840666172 /nfs/dbraw/zinc/66/61/72/840666172.db2.gz BJYLORHCNGQZQQ-ZEQRLZLVSA-N 2 1 391.559 3.862 20 0 GHADMP O[C@H]1CC[NH+](Cc2cccc(N[C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719963 840666179 /nfs/dbraw/zinc/66/61/79/840666179.db2.gz BJYLORHCNGQZQQ-ZEQRLZLVSA-N 2 1 391.559 3.862 20 0 GHADMP CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000511772128 840712230 /nfs/dbraw/zinc/71/22/30/840712230.db2.gz XXQYZEMLFRRLJS-QHCPKHFHSA-N 2 1 379.548 3.561 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000558127572 840799996 /nfs/dbraw/zinc/79/99/96/840799996.db2.gz SKOIBIGTSFJHAF-SFHVURJKSA-N 2 1 385.518 3.984 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000511624774 840830997 /nfs/dbraw/zinc/83/09/97/840830997.db2.gz CRDDICHGYDQOES-UHFFFAOYSA-N 2 1 391.559 3.551 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000652125249 840890237 /nfs/dbraw/zinc/89/02/37/840890237.db2.gz KGUOHLPHVMWTMY-QGZVFWFLSA-N 2 1 398.526 3.658 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1)C1CC1 ZINC000511853068 840949490 /nfs/dbraw/zinc/94/94/90/840949490.db2.gz XQXLQRLHLYYELC-JOCHJYFZSA-N 2 1 383.511 3.843 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CCCCC1 ZINC000652136149 841026338 /nfs/dbraw/zinc/02/63/38/841026338.db2.gz GVWPEWZQYLQVRC-URXFXBBRSA-N 2 1 398.595 3.722 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000417829839 841209031 /nfs/dbraw/zinc/20/90/31/841209031.db2.gz GLBQJWNFCYIVFI-JMJGKCIBSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660305095 841248543 /nfs/dbraw/zinc/24/85/43/841248543.db2.gz JXTMEOGMDBMNOV-FCEUIQTBSA-N 2 1 385.596 3.771 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417979225 841350371 /nfs/dbraw/zinc/35/03/71/841350371.db2.gz FEQWNQXQOXBANL-QZTJIDSGSA-N 2 1 398.954 3.629 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417979225 841350387 /nfs/dbraw/zinc/35/03/87/841350387.db2.gz FEQWNQXQOXBANL-QZTJIDSGSA-N 2 1 398.954 3.629 20 0 GHADMP COC(=O)c1oc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1C ZINC000581455248 841431338 /nfs/dbraw/zinc/43/13/38/841431338.db2.gz AEBPYMFTJFFMAT-MRXNPFEDSA-N 2 1 379.460 3.806 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CCCC1)c1ccccc1 ZINC000662730388 841509206 /nfs/dbraw/zinc/50/92/06/841509206.db2.gz YLTXUPPXPNZEEU-MGPUTAFESA-N 2 1 387.474 3.744 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000429103020 861220763 /nfs/dbraw/zinc/22/07/63/861220763.db2.gz MJSKSWFWGUKOEP-GCJKJVERSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]2c2ccc(I)cc2)CC1 ZINC001204640988 841690950 /nfs/dbraw/zinc/69/09/50/841690950.db2.gz ZINMYEWERHCJGU-QGZVFWFLSA-N 2 1 384.305 3.770 20 0 GHADMP C[N@H+]1CCCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000623607133 861240593 /nfs/dbraw/zinc/24/05/93/861240593.db2.gz XMJIAUXOOYQAOT-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP CN(CC[N@H+](C)Cc1ccccc1OCc1ccccc1)C1CC[NH+](C)CC1 ZINC000581634851 841846113 /nfs/dbraw/zinc/84/61/13/841846113.db2.gz IHHPWFWGCSPLRN-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1OCc1ccccc1)C1CC[NH+](C)CC1 ZINC000581634851 841846121 /nfs/dbraw/zinc/84/61/21/841846121.db2.gz IHHPWFWGCSPLRN-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP Cc1cc(C(F)(F)F)cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH+]1 ZINC000663548538 842142072 /nfs/dbraw/zinc/14/20/72/842142072.db2.gz BSRKBAKGBIBZSX-UHFFFAOYSA-N 2 1 379.426 3.978 20 0 GHADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C(C)(C)C ZINC000604774194 842145205 /nfs/dbraw/zinc/14/52/05/842145205.db2.gz FJXRFENDDUYWKV-SJORKVTESA-N 2 1 385.474 3.767 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C2)C1 ZINC000652346659 842315708 /nfs/dbraw/zinc/31/57/08/842315708.db2.gz DGJGGLKKVAOYMH-MIZPHKNDSA-N 2 1 399.579 3.571 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)C1 ZINC000652347888 842319801 /nfs/dbraw/zinc/31/98/01/842319801.db2.gz NXFNZFVXAOQQQM-WDYCEAGBSA-N 2 1 375.900 3.713 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)c2)cc1 ZINC000623654860 861300614 /nfs/dbraw/zinc/30/06/14/861300614.db2.gz KRDMVKZFIXODIL-LJQANCHMSA-N 2 1 381.520 3.769 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)c2)cc1 ZINC000623654860 861300632 /nfs/dbraw/zinc/30/06/32/861300632.db2.gz KRDMVKZFIXODIL-LJQANCHMSA-N 2 1 381.520 3.769 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cnc21 ZINC000278947580 842363755 /nfs/dbraw/zinc/36/37/55/842363755.db2.gz VGCMOQHJBJFGKA-UHFFFAOYSA-N 2 1 378.524 3.925 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000652362459 842370761 /nfs/dbraw/zinc/37/07/61/842370761.db2.gz HUOFXOJRPOWQKA-COXVUDFISA-N 2 1 383.323 3.502 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000652362459 842370771 /nfs/dbraw/zinc/37/07/71/842370771.db2.gz HUOFXOJRPOWQKA-COXVUDFISA-N 2 1 383.323 3.502 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCCO1 ZINC000432408953 842403199 /nfs/dbraw/zinc/40/31/99/842403199.db2.gz DOXUGWJSLFSJFJ-QAPCUYQASA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CCCO1 ZINC000432408953 842403201 /nfs/dbraw/zinc/40/32/01/842403201.db2.gz DOXUGWJSLFSJFJ-QAPCUYQASA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)([NH+](C)C)C1 ZINC000432410013 842406663 /nfs/dbraw/zinc/40/66/63/842406663.db2.gz LAUJLPNRZOCCEN-NNFUDEMPSA-N 2 1 391.522 3.522 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)Cc1ccccc1 ZINC000430674540 842451662 /nfs/dbraw/zinc/45/16/62/842451662.db2.gz JKIFKMCLOAKBCK-UHFFFAOYSA-N 2 1 399.623 3.910 20 0 GHADMP FC(F)(F)[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)COC2)C1 ZINC000248420999 842681581 /nfs/dbraw/zinc/68/15/81/842681581.db2.gz MBZIDHOKVFEEOH-ZIAGYGMSSA-N 2 1 388.396 3.552 20 0 GHADMP COc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC(C)C ZINC000512181824 842801307 /nfs/dbraw/zinc/80/13/07/842801307.db2.gz QLIIFHIWPFMRRW-KDURUIRLSA-N 2 1 390.568 3.804 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000430789902 842987792 /nfs/dbraw/zinc/98/77/92/842987792.db2.gz YPVBGUGGGMKPFX-OZQHCQBDSA-N 2 1 381.520 3.570 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Br)c1 ZINC000662313077 843122134 /nfs/dbraw/zinc/12/21/34/843122134.db2.gz IJRWLLJGCLWLRZ-RHSMWYFYSA-N 2 1 382.346 3.535 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(Br)c1 ZINC000662313077 843122142 /nfs/dbraw/zinc/12/21/42/843122142.db2.gz IJRWLLJGCLWLRZ-RHSMWYFYSA-N 2 1 382.346 3.535 20 0 GHADMP Clc1ccc(Cl)c(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662337214 843147958 /nfs/dbraw/zinc/14/79/58/843147958.db2.gz KFECJVYAMDYVJY-AWEZNQCLSA-N 2 1 394.350 3.506 20 0 GHADMP Fc1cccc(F)c1CCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327088 843155015 /nfs/dbraw/zinc/15/50/15/843155015.db2.gz IOXYYLVYPTUGSC-UHFFFAOYSA-N 2 1 388.506 3.967 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc2)CC1 ZINC000182303009 843164309 /nfs/dbraw/zinc/16/43/09/843164309.db2.gz JXBRRHFHOJGNKR-DHIUTWEWSA-N 2 1 398.595 3.544 20 0 GHADMP COc1cccc(C(=O)N2CCC([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)CC2)c1 ZINC001167878692 843166523 /nfs/dbraw/zinc/16/65/23/843166523.db2.gz KBPTUKBHHFNQFJ-OAQYLSRUSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662388916 843185147 /nfs/dbraw/zinc/18/51/47/843185147.db2.gz QERLRAPKGAHMDE-WZONZLPQSA-N 2 1 377.532 3.769 20 0 GHADMP COc1cccc(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000512279074 843309251 /nfs/dbraw/zinc/30/92/51/843309251.db2.gz RTKGLBPYCFBTCE-XMMPIXPASA-N 2 1 393.531 3.622 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000673686653 861408594 /nfs/dbraw/zinc/40/85/94/861408594.db2.gz PISZLQGMUVJCRF-YJBOKZPZSA-N 2 1 385.474 3.546 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000673686653 861408597 /nfs/dbraw/zinc/40/85/97/861408597.db2.gz PISZLQGMUVJCRF-YJBOKZPZSA-N 2 1 385.474 3.546 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000432675239 843428126 /nfs/dbraw/zinc/42/81/26/843428126.db2.gz JZGVXGHFCPYOLA-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000432675239 843428131 /nfs/dbraw/zinc/42/81/31/843428131.db2.gz JZGVXGHFCPYOLA-HXUWFJFHSA-N 2 1 383.561 3.948 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000662675383 843512460 /nfs/dbraw/zinc/51/24/60/843512460.db2.gz MLDDSNKXOMLTEH-SFHVURJKSA-N 2 1 377.532 3.637 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675179 843513014 /nfs/dbraw/zinc/51/30/14/843513014.db2.gz KDARGATYTBFIAS-VFNWGFHPSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675179 843513024 /nfs/dbraw/zinc/51/30/24/843513024.db2.gz KDARGATYTBFIAS-VFNWGFHPSA-N 2 1 387.474 3.513 20 0 GHADMP CCN(C(=O)c1cccc2c1CC[NH2+]C2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662694523 843522814 /nfs/dbraw/zinc/52/28/14/843522814.db2.gz RRSNCXKBKGLELZ-GHTZIAJQSA-N 2 1 377.532 3.630 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418682303 843530282 /nfs/dbraw/zinc/53/02/82/843530282.db2.gz WGMLQFXAXWMVLL-SJBKTWHCSA-N 2 1 386.584 3.763 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418684951 843532179 /nfs/dbraw/zinc/53/21/79/843532179.db2.gz YSOPKXFVLMBLKO-NZQKXSOJSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512397305 843652323 /nfs/dbraw/zinc/65/23/23/843652323.db2.gz CJBMLAONDIZSBY-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512397303 843652559 /nfs/dbraw/zinc/65/25/59/843652559.db2.gz CJBMLAONDIZSBY-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468237 843673072 /nfs/dbraw/zinc/67/30/72/843673072.db2.gz KSDSSVGYRYYNHF-PXNSSMCTSA-N 2 1 391.987 3.789 20 0 GHADMP c1ccc(CCCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512409300 843717887 /nfs/dbraw/zinc/71/78/87/843717887.db2.gz NBUPNZJQFCLGIA-VWLOTQADSA-N 2 1 377.576 3.901 20 0 GHADMP CN(Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253796 843753593 /nfs/dbraw/zinc/75/35/93/843753593.db2.gz RQIBYRGDUQTCQV-OAQYLSRUSA-N 2 1 389.547 3.767 20 0 GHADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253796 843753601 /nfs/dbraw/zinc/75/36/01/843753601.db2.gz RQIBYRGDUQTCQV-OAQYLSRUSA-N 2 1 389.547 3.767 20 0 GHADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253796 843753604 /nfs/dbraw/zinc/75/36/04/843753604.db2.gz RQIBYRGDUQTCQV-OAQYLSRUSA-N 2 1 389.547 3.767 20 0 GHADMP CCOc1cc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc(Br)c1OC ZINC000092253684 843754054 /nfs/dbraw/zinc/75/40/54/843754054.db2.gz ABGYTLZMKXORNZ-CQSZACIVSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Br)c1OC ZINC000092253684 843754057 /nfs/dbraw/zinc/75/40/57/843754057.db2.gz ABGYTLZMKXORNZ-CQSZACIVSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Br)c1OC ZINC000092253684 843754062 /nfs/dbraw/zinc/75/40/62/843754062.db2.gz ABGYTLZMKXORNZ-CQSZACIVSA-N 2 1 385.346 3.630 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000391468581 843898566 /nfs/dbraw/zinc/89/85/66/843898566.db2.gz HQFKZYDEVFBGGX-UKRRQHHQSA-N 2 1 385.346 3.819 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000391468581 843898575 /nfs/dbraw/zinc/89/85/75/843898575.db2.gz HQFKZYDEVFBGGX-UKRRQHHQSA-N 2 1 385.346 3.819 20 0 GHADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000625296804 861479036 /nfs/dbraw/zinc/47/90/36/861479036.db2.gz MYXCGKSFMWMTAC-AWEZNQCLSA-N 2 1 382.430 3.632 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512489883 843999590 /nfs/dbraw/zinc/99/95/90/843999590.db2.gz UCPDUPLSRNHMSO-CYJAXWMASA-N 2 1 397.485 3.657 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000512489883 843999592 /nfs/dbraw/zinc/99/95/92/843999592.db2.gz UCPDUPLSRNHMSO-CYJAXWMASA-N 2 1 397.485 3.657 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000512489883 843999594 /nfs/dbraw/zinc/99/95/94/843999594.db2.gz UCPDUPLSRNHMSO-CYJAXWMASA-N 2 1 397.485 3.657 20 0 GHADMP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500777257 844006950 /nfs/dbraw/zinc/00/69/50/844006950.db2.gz GIYBJOXYNXRUQW-UHFFFAOYSA-N 2 1 375.900 3.594 20 0 GHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1Br ZINC000401810832 844711468 /nfs/dbraw/zinc/71/14/68/844711468.db2.gz UAVIIPHFUKGZRQ-JTQLQIEISA-N 2 1 387.119 3.838 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181186248 844823248 /nfs/dbraw/zinc/82/32/48/844823248.db2.gz RNHIILCAOVXNLY-KRWDZBQOSA-N 2 1 381.307 3.626 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000181186248 844823257 /nfs/dbraw/zinc/82/32/57/844823257.db2.gz RNHIILCAOVXNLY-KRWDZBQOSA-N 2 1 381.307 3.626 20 0 GHADMP CCO[C@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](OCC)C3)cc(OC)c2)C1 ZINC000644994469 844839584 /nfs/dbraw/zinc/83/95/84/844839584.db2.gz XSQNREJYRJUMEO-VXKWHMMOSA-N 2 1 390.568 3.697 20 0 GHADMP COc1ccc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549868501 844913702 /nfs/dbraw/zinc/91/37/02/844913702.db2.gz WZBVUHVHPKBJMB-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP COc1ccc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000549868501 844913713 /nfs/dbraw/zinc/91/37/13/844913713.db2.gz WZBVUHVHPKBJMB-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000513204883 845046007 /nfs/dbraw/zinc/04/60/07/845046007.db2.gz WPHJCMZPMFHKRP-STZQEDGTSA-N 2 1 377.532 3.714 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000513204883 845046010 /nfs/dbraw/zinc/04/60/10/845046010.db2.gz WPHJCMZPMFHKRP-STZQEDGTSA-N 2 1 377.532 3.714 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000513267160 845158623 /nfs/dbraw/zinc/15/86/23/845158623.db2.gz KOHWQCCPFCQSAQ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513267160 845158630 /nfs/dbraw/zinc/15/86/30/845158630.db2.gz KOHWQCCPFCQSAQ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513267160 845158635 /nfs/dbraw/zinc/15/86/35/845158635.db2.gz KOHWQCCPFCQSAQ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000645112816 845168969 /nfs/dbraw/zinc/16/89/69/845168969.db2.gz RGQKJVUPTDUOOR-DNQXCXABSA-N 2 1 391.559 3.923 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548515913 845196527 /nfs/dbraw/zinc/19/65/27/845196527.db2.gz LLKGGFXGKSJYMH-JOCHJYFZSA-N 2 1 377.532 3.592 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548515913 845196534 /nfs/dbraw/zinc/19/65/34/845196534.db2.gz LLKGGFXGKSJYMH-JOCHJYFZSA-N 2 1 377.532 3.592 20 0 GHADMP Cn1nccc1-c1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000513316282 845236258 /nfs/dbraw/zinc/23/62/58/845236258.db2.gz CLLRDPZFXBRXBR-UHFFFAOYSA-N 2 1 375.520 4.000 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000728940908 845346160 /nfs/dbraw/zinc/34/61/60/845346160.db2.gz YLMLBBIVUHSNAD-HXUWFJFHSA-N 2 1 389.337 3.737 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000411480507 845508641 /nfs/dbraw/zinc/50/86/41/845508641.db2.gz VXXOTJSEQXRVOH-MRXNPFEDSA-N 2 1 380.467 3.629 20 0 GHADMP CC(C)C1CCC([N@@H+](C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000433150926 845515204 /nfs/dbraw/zinc/51/52/04/845515204.db2.gz MTMBDERWWLRMBR-UHFFFAOYSA-N 2 1 387.568 3.604 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000563160135 845533477 /nfs/dbraw/zinc/53/34/77/845533477.db2.gz OSWVMMRBVOKDPJ-IBGZPJMESA-N 2 1 397.485 3.660 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccc3ccccc32)[C@@H](C)C1 ZINC000411549826 845579985 /nfs/dbraw/zinc/57/99/85/845579985.db2.gz ICPPKUARWVVJTM-SIKLNZKXSA-N 2 1 397.563 3.895 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000513560142 845666547 /nfs/dbraw/zinc/66/65/47/845666547.db2.gz LKOLMZKUHDOYTI-HSZRJFAPSA-N 2 1 377.532 3.677 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000536482414 845984907 /nfs/dbraw/zinc/98/49/07/845984907.db2.gz OODIAEIGVSMTDD-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000105442909 845993391 /nfs/dbraw/zinc/99/33/91/845993391.db2.gz OPXCVMOUHWNMKU-KRWDZBQOSA-N 2 1 380.492 3.600 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc(Cl)c1 ZINC000582057542 846166450 /nfs/dbraw/zinc/16/64/50/846166450.db2.gz RMRRBFLIAVNTBL-LJQANCHMSA-N 2 1 385.939 3.823 20 0 GHADMP Cn1c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2cc(Cl)ccc21 ZINC000582056824 846169698 /nfs/dbraw/zinc/16/96/98/846169698.db2.gz PPLLXLLDQWKTJU-UWJYYQICSA-N 2 1 382.895 3.572 20 0 GHADMP OC1CC[NH+](Cc2ccc(CNc3cc[nH+]c4ccc(Cl)cc34)cc2)CC1 ZINC000513654919 846198061 /nfs/dbraw/zinc/19/80/61/846198061.db2.gz YGQJEDIORJBKEA-UHFFFAOYSA-N 2 1 381.907 3.879 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000157862724 846225256 /nfs/dbraw/zinc/22/52/56/846225256.db2.gz IPQRGRFKZHPODQ-MOPGFXCFSA-N 2 1 393.597 3.532 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC000657335721 846328496 /nfs/dbraw/zinc/32/84/96/846328496.db2.gz UGJBASNTSDOSBX-VWNXMTODSA-N 2 1 380.532 3.856 20 0 GHADMP CC(C)[C@@H]1[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC12CCOCC2 ZINC000414545264 846472432 /nfs/dbraw/zinc/47/24/32/846472432.db2.gz WDBZPYLJCAPYPF-QHCPKHFHSA-N 2 1 385.596 3.854 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccccc4)s3)CC2)CC1 ZINC000093142670 846523511 /nfs/dbraw/zinc/52/35/11/846523511.db2.gz WADNCDOLLIAIHS-UHFFFAOYSA-N 2 1 397.588 3.791 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000502843726 846535329 /nfs/dbraw/zinc/53/53/29/846535329.db2.gz JVCLXPZXQRJORT-XLIONFOSSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000502843726 846535332 /nfs/dbraw/zinc/53/53/32/846535332.db2.gz JVCLXPZXQRJORT-XLIONFOSSA-N 2 1 394.991 3.897 20 0 GHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000501056993 846587944 /nfs/dbraw/zinc/58/79/44/846587944.db2.gz YBQZNMKCKFCUOW-KRWDZBQOSA-N 2 1 384.499 3.705 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000501064368 846595978 /nfs/dbraw/zinc/59/59/78/846595978.db2.gz WAMKIWHHOFEDIU-MSOLQXFVSA-N 2 1 398.526 3.635 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066450 846597370 /nfs/dbraw/zinc/59/73/70/846597370.db2.gz COGQOIGYLVTNNX-KRWDZBQOSA-N 2 1 398.576 3.979 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000501053551 846604866 /nfs/dbraw/zinc/60/48/66/846604866.db2.gz NXOGALKHUGCVPX-UHFFFAOYSA-N 2 1 386.927 3.830 20 0 GHADMP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000502966206 846671212 /nfs/dbraw/zinc/67/12/12/846671212.db2.gz GRWVCVQQNGUAST-PMACEKPBSA-N 2 1 396.579 3.936 20 0 GHADMP OC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccc(F)cc1 ZINC000582240891 846697318 /nfs/dbraw/zinc/69/73/18/846697318.db2.gz RCHOVGDSSBZVOC-GMAHTHKFSA-N 2 1 382.523 3.764 20 0 GHADMP OC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccc(F)cc1 ZINC000582240891 846697321 /nfs/dbraw/zinc/69/73/21/846697321.db2.gz RCHOVGDSSBZVOC-GMAHTHKFSA-N 2 1 382.523 3.764 20 0 GHADMP C[N@@H+](CCC(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)C1CCCCC1 ZINC000548716969 846759308 /nfs/dbraw/zinc/75/93/08/846759308.db2.gz RYRVSAHONOJDOM-UHFFFAOYSA-N 2 1 383.580 3.690 20 0 GHADMP C[NH+](CCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)C1CCCCC1 ZINC000548716969 846759313 /nfs/dbraw/zinc/75/93/13/846759313.db2.gz RYRVSAHONOJDOM-UHFFFAOYSA-N 2 1 383.580 3.690 20 0 GHADMP C[NH+](CCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)C1CCCCC1 ZINC000548716969 846759317 /nfs/dbraw/zinc/75/93/17/846759317.db2.gz RYRVSAHONOJDOM-UHFFFAOYSA-N 2 1 383.580 3.690 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000501415333 846899983 /nfs/dbraw/zinc/89/99/83/846899983.db2.gz WTIUUCNHSPUZGT-VDUFWMCCSA-N 2 1 397.485 3.641 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000501415333 846899992 /nfs/dbraw/zinc/89/99/92/846899992.db2.gz WTIUUCNHSPUZGT-VDUFWMCCSA-N 2 1 397.485 3.641 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OCc1ccncc1 ZINC000271815012 846927033 /nfs/dbraw/zinc/92/70/33/846927033.db2.gz UUUUZYFYMFTBCL-KRWDZBQOSA-N 2 1 380.492 3.915 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Br)s3)CC2)C[C@H](C)O1 ZINC000110436826 847018562 /nfs/dbraw/zinc/01/85/62/847018562.db2.gz SYOMKYHIFSTOQI-KBPBESRZSA-N 2 1 387.387 3.832 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000475004360 861753334 /nfs/dbraw/zinc/75/33/34/861753334.db2.gz RWPSIOLHWCCLSA-IFMALSPDSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000475004360 861753351 /nfs/dbraw/zinc/75/33/51/861753351.db2.gz RWPSIOLHWCCLSA-IFMALSPDSA-N 2 1 387.543 3.515 20 0 GHADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000420409984 847173359 /nfs/dbraw/zinc/17/33/59/847173359.db2.gz XUHJPFKXRZPJPB-KMDXXIMOSA-N 2 1 391.559 3.551 20 0 GHADMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000420409984 847173365 /nfs/dbraw/zinc/17/33/65/847173365.db2.gz XUHJPFKXRZPJPB-KMDXXIMOSA-N 2 1 391.559 3.551 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501827665 847218106 /nfs/dbraw/zinc/21/81/06/847218106.db2.gz QIQVJYCFWAENLG-SFTDATJTSA-N 2 1 397.567 3.744 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2)n1 ZINC000582436248 847229987 /nfs/dbraw/zinc/22/99/87/847229987.db2.gz DTRBMDBBOLXPTQ-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000501855217 847263953 /nfs/dbraw/zinc/26/39/53/847263953.db2.gz LXLBTRLMVACQEJ-QQURRQIPSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501855217 847263960 /nfs/dbraw/zinc/26/39/60/847263960.db2.gz LXLBTRLMVACQEJ-QQURRQIPSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501855217 847263977 /nfs/dbraw/zinc/26/39/77/847263977.db2.gz LXLBTRLMVACQEJ-QQURRQIPSA-N 2 1 398.595 3.602 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ncnc4sc5c(c43)CCCC5)CC2)CC1 ZINC000420630984 847338378 /nfs/dbraw/zinc/33/83/78/847338378.db2.gz UJENVZJXEFJUBG-UHFFFAOYSA-N 2 1 399.608 3.567 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(c3ncnc4sc5c(c43)CCCC5)CC2)CC1 ZINC000420630984 847338385 /nfs/dbraw/zinc/33/83/85/847338385.db2.gz UJENVZJXEFJUBG-UHFFFAOYSA-N 2 1 399.608 3.567 20 0 GHADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420957288 847577189 /nfs/dbraw/zinc/57/71/89/847577189.db2.gz CJJXGNQIXDARHR-DLTYFMDKSA-N 2 1 386.580 3.670 20 0 GHADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420957288 847577199 /nfs/dbraw/zinc/57/71/99/847577199.db2.gz CJJXGNQIXDARHR-DLTYFMDKSA-N 2 1 386.580 3.670 20 0 GHADMP O=C1[C@@H](N2CCC[C@H](c3ncc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441946 847707743 /nfs/dbraw/zinc/70/77/43/847707743.db2.gz PGORQKCDMUTVRY-UWJYYQICSA-N 2 1 396.510 3.734 20 0 GHADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422726154 847798834 /nfs/dbraw/zinc/79/88/34/847798834.db2.gz DGLCNGCSXUJNLX-VNZMSGEBSA-N 2 1 379.548 3.961 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422726306 847799804 /nfs/dbraw/zinc/79/98/04/847799804.db2.gz DLLBXCOKMVCISD-MTQWCTHYSA-N 2 1 381.486 3.790 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422726306 847799810 /nfs/dbraw/zinc/79/98/10/847799810.db2.gz DLLBXCOKMVCISD-MTQWCTHYSA-N 2 1 381.486 3.790 20 0 GHADMP COc1c(F)cc(F)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001143557424 847808019 /nfs/dbraw/zinc/80/80/19/847808019.db2.gz GBVKGKNOSRSPAV-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422800372 847829086 /nfs/dbraw/zinc/82/90/86/847829086.db2.gz ZYXFXPCNMWGJFC-CKFHNAJUSA-N 2 1 380.941 3.548 20 0 GHADMP COc1ccc([C@@H](NCCc2[nH+]ccn2Cc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422815027 847837244 /nfs/dbraw/zinc/83/72/44/847837244.db2.gz ANSORADCFCKAQJ-ISKFKSNPSA-N 2 1 390.531 3.565 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[NH+](CC)CC)cc1 ZINC000431465494 847859340 /nfs/dbraw/zinc/85/93/40/847859340.db2.gz QMXIBGMPPWFRHJ-AVRDEDQJSA-N 2 1 386.584 3.582 20 0 GHADMP Fc1ccc(Br)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422947072 847910300 /nfs/dbraw/zinc/91/03/00/847910300.db2.gz PSCRHCLLSVAGOG-PKOBYXMFSA-N 2 1 391.284 3.934 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548748257 847939090 /nfs/dbraw/zinc/93/90/90/847939090.db2.gz XXPPCWLLLGYSLY-HSZRJFAPSA-N 2 1 391.559 3.577 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Br)cn1 ZINC000423095882 847977267 /nfs/dbraw/zinc/97/72/67/847977267.db2.gz NJICIPXBTOEKKO-IRWQIABSSA-N 2 1 388.309 3.751 20 0 GHADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237411992 848118591 /nfs/dbraw/zinc/11/85/91/848118591.db2.gz CBGNXKVTNPVFFO-LAUBAEHRSA-N 2 1 385.939 3.710 20 0 GHADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237411992 848118598 /nfs/dbraw/zinc/11/85/98/848118598.db2.gz CBGNXKVTNPVFFO-LAUBAEHRSA-N 2 1 385.939 3.710 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000075956048 848195653 /nfs/dbraw/zinc/19/56/53/848195653.db2.gz JSJGBWXZNSBBPT-IBGZPJMESA-N 2 1 379.548 3.947 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1C(F)(F)F ZINC000657594421 848282783 /nfs/dbraw/zinc/28/27/83/848282783.db2.gz AEYGLPBLERPFML-IBGZPJMESA-N 2 1 378.438 3.870 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)ccc3F)cc2)C1 ZINC000657593700 848285998 /nfs/dbraw/zinc/28/59/98/848285998.db2.gz CAMFDBHYMAAPFS-SFHVURJKSA-N 2 1 382.401 3.701 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(OC(F)F)c(Cl)c3)cc2)C1 ZINC000657595024 848288108 /nfs/dbraw/zinc/28/81/08/848288108.db2.gz MJGFDJMHQTYVRF-KRWDZBQOSA-N 2 1 396.865 3.798 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)ccc4cccnc43)cc2)C1 ZINC000657596483 848290084 /nfs/dbraw/zinc/29/00/84/848290084.db2.gz NPOGJBTZTBTIJT-IBGZPJMESA-N 2 1 381.907 3.745 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1OCC(C)C ZINC000657596016 848291355 /nfs/dbraw/zinc/29/13/55/848291355.db2.gz TZIANTMCROVDRH-JOCHJYFZSA-N 2 1 398.547 3.586 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000582815091 848456044 /nfs/dbraw/zinc/45/60/44/848456044.db2.gz AIXMOUDCAYCVQB-YADHBBJMSA-N 2 1 388.939 3.774 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000582815091 848456047 /nfs/dbraw/zinc/45/60/47/848456047.db2.gz AIXMOUDCAYCVQB-YADHBBJMSA-N 2 1 388.939 3.774 20 0 GHADMP CN(c1ccccc1CN[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000657677276 848575233 /nfs/dbraw/zinc/57/52/33/848575233.db2.gz BUATYHAFMHHOOE-OAQYLSRUSA-N 2 1 384.612 3.714 20 0 GHADMP CN(c1ccccc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000657677276 848575240 /nfs/dbraw/zinc/57/52/40/848575240.db2.gz BUATYHAFMHHOOE-OAQYLSRUSA-N 2 1 384.612 3.714 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[NH+]3CCCCC3)c2)cc1 ZINC000015185084 848787152 /nfs/dbraw/zinc/78/71/52/848787152.db2.gz HZWIRBFGDHXBPA-UHFFFAOYSA-N 2 1 381.520 3.913 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC000548783777 848932060 /nfs/dbraw/zinc/93/20/60/848932060.db2.gz ZCSLFCJKDISJQQ-JOCHJYFZSA-N 2 1 383.584 3.516 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238098314 848959642 /nfs/dbraw/zinc/95/96/42/848959642.db2.gz SZDIVXULTDNENX-UHFFFAOYSA-N 2 1 391.559 3.679 20 0 GHADMP CCCOc1c(Cl)cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1OCC ZINC000657750245 849599284 /nfs/dbraw/zinc/59/92/84/849599284.db2.gz FGCSTBHRIZBADK-GOSISDBHSA-N 2 1 396.959 3.870 20 0 GHADMP COc1ccc(Oc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000657752821 849658514 /nfs/dbraw/zinc/65/85/14/849658514.db2.gz SBWKOOQBFDJDOA-HXUWFJFHSA-N 2 1 382.504 3.830 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000503924259 849764225 /nfs/dbraw/zinc/76/42/25/849764225.db2.gz HWAPFHCUXUVITR-UTKZUKDTSA-N 2 1 375.532 3.966 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000423326039 849866970 /nfs/dbraw/zinc/86/69/70/849866970.db2.gz JBNYQDNGOFYAHZ-BTCOZLQPSA-N 2 1 378.520 3.628 20 0 GHADMP CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(Cl)cc2)c1 ZINC000423389756 849896491 /nfs/dbraw/zinc/89/64/91/849896491.db2.gz OHGGWQAAKQOLAF-QWFCFKBJSA-N 2 1 392.952 3.692 20 0 GHADMP C[C@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423474976 849939362 /nfs/dbraw/zinc/93/93/62/849939362.db2.gz PLXPGIMZYBOMMI-NSXLHWASSA-N 2 1 399.554 3.810 20 0 GHADMP COc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccc(F)cc2)cc1 ZINC000423501476 849945123 /nfs/dbraw/zinc/94/51/23/849945123.db2.gz CUPNQMKVMGYZKV-IWAAJCSBSA-N 2 1 397.538 3.730 20 0 GHADMP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423520535 849965509 /nfs/dbraw/zinc/96/55/09/849965509.db2.gz RFDUVFHSVBWAJV-OHQSZPEQSA-N 2 1 385.596 3.769 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000486886189 850217503 /nfs/dbraw/zinc/21/75/03/850217503.db2.gz XJNOBALMRRAKON-GOSISDBHSA-N 2 1 393.522 3.510 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894288249 850290927 /nfs/dbraw/zinc/29/09/27/850290927.db2.gz QWOJDNOOXYKHKF-YQQQUEKLSA-N 2 1 376.545 3.739 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2)cc1 ZINC000424298954 850341375 /nfs/dbraw/zinc/34/13/75/850341375.db2.gz UXZJLGLTLWLQFX-IBGZPJMESA-N 2 1 398.572 3.792 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc2)cc1 ZINC000424298954 850341383 /nfs/dbraw/zinc/34/13/83/850341383.db2.gz UXZJLGLTLWLQFX-IBGZPJMESA-N 2 1 398.572 3.792 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC[NH2+]CC2 ZINC000424372854 850412629 /nfs/dbraw/zinc/41/26/29/850412629.db2.gz FZTFWDYPXYDAFA-LPHOPBHVSA-N 2 1 378.944 3.862 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CCN1C ZINC000180424209 862132242 /nfs/dbraw/zinc/13/22/42/862132242.db2.gz YPWIETHUNVZJOE-YPMHNXCESA-N 2 1 377.273 3.965 20 0 GHADMP Cc1cc(C)n2c(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)cnc2n1 ZINC000435432302 850490391 /nfs/dbraw/zinc/49/03/91/850490391.db2.gz MMXQNSHIPMVJOZ-IBGZPJMESA-N 2 1 381.549 3.552 20 0 GHADMP Cc1cc(C)n2c(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)cnc2n1 ZINC000435432302 850490395 /nfs/dbraw/zinc/49/03/95/850490395.db2.gz MMXQNSHIPMVJOZ-IBGZPJMESA-N 2 1 381.549 3.552 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@H](F)C1 ZINC001167965329 850491239 /nfs/dbraw/zinc/49/12/39/850491239.db2.gz BERDOKSGGZMCFZ-FCFHUKJJSA-N 2 1 395.563 3.577 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OCC ZINC000648071583 862148737 /nfs/dbraw/zinc/14/87/37/862148737.db2.gz JOIDTJVZFYTDQI-UHFFFAOYSA-N 2 1 376.541 3.561 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1OCC ZINC000648071583 862148743 /nfs/dbraw/zinc/14/87/43/862148743.db2.gz JOIDTJVZFYTDQI-UHFFFAOYSA-N 2 1 376.541 3.561 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 ZINC000515054380 850631986 /nfs/dbraw/zinc/63/19/86/850631986.db2.gz FVHYSVCKKRACFG-YWZLYKJASA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[C@H]1c1cccs1 ZINC000515054380 850631993 /nfs/dbraw/zinc/63/19/93/850631993.db2.gz FVHYSVCKKRACFG-YWZLYKJASA-N 2 1 375.513 3.889 20 0 GHADMP COc1cc(Br)c(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(OC)c1 ZINC000414808132 850642420 /nfs/dbraw/zinc/64/24/20/850642420.db2.gz KHCHIQMEMYGUOP-GFCCVEGCSA-N 2 1 379.298 3.776 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001168372872 850715592 /nfs/dbraw/zinc/71/55/92/850715592.db2.gz NBPLYUPNQYIVHY-UHFFFAOYSA-N 2 1 377.573 3.584 20 0 GHADMP Cn1ccnc1C[N@H+](CCSc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435679917 850743480 /nfs/dbraw/zinc/74/34/80/850743480.db2.gz CUPIZJDXQZSAPW-SFHVURJKSA-N 2 1 390.984 3.810 20 0 GHADMP Cn1ccnc1C[N@@H+](CCSc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435679917 850743484 /nfs/dbraw/zinc/74/34/84/850743484.db2.gz CUPIZJDXQZSAPW-SFHVURJKSA-N 2 1 390.984 3.810 20 0 GHADMP CCC1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000513993365 851094031 /nfs/dbraw/zinc/09/40/31/851094031.db2.gz AQESRQZACMYPPK-VXKWHMMOSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000514126924 851266631 /nfs/dbraw/zinc/26/66/31/851266631.db2.gz NOOKZRZPXRPICG-URVUXULASA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514126924 851266636 /nfs/dbraw/zinc/26/66/36/851266636.db2.gz NOOKZRZPXRPICG-URVUXULASA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514126924 851266643 /nfs/dbraw/zinc/26/66/43/851266643.db2.gz NOOKZRZPXRPICG-URVUXULASA-N 2 1 386.584 3.776 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000515644586 851302230 /nfs/dbraw/zinc/30/22/30/851302230.db2.gz BNGNZOAJZVMLDH-ZPSXEXDPSA-N 2 1 391.506 3.526 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000515644586 851302243 /nfs/dbraw/zinc/30/22/43/851302243.db2.gz BNGNZOAJZVMLDH-ZPSXEXDPSA-N 2 1 391.506 3.526 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000514161443 851317092 /nfs/dbraw/zinc/31/70/92/851317092.db2.gz AMWOUBQAXSHPOD-ROUUACIJSA-N 2 1 392.613 3.695 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)ccc3Cl)CC2)C1 ZINC000415126844 851349336 /nfs/dbraw/zinc/34/93/36/851349336.db2.gz QGFFYYPXMXWZGF-WBVHZDCISA-N 2 1 387.749 3.821 20 0 GHADMP Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000515722294 851394145 /nfs/dbraw/zinc/39/41/45/851394145.db2.gz MWROJTJROBPVSH-OAQYLSRUSA-N 2 1 399.583 3.587 20 0 GHADMP Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000515722294 851394152 /nfs/dbraw/zinc/39/41/52/851394152.db2.gz MWROJTJROBPVSH-OAQYLSRUSA-N 2 1 399.583 3.587 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000111230918 851593280 /nfs/dbraw/zinc/59/32/80/851593280.db2.gz ZFXZIGPRURWOHY-QFIPXVFZSA-N 2 1 381.564 3.711 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434740951 851607902 /nfs/dbraw/zinc/60/79/02/851607902.db2.gz ZYUZSCLZGCVZQN-UHFFFAOYSA-N 2 1 381.389 3.613 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473734375 851790429 /nfs/dbraw/zinc/79/04/29/851790429.db2.gz JZAUCVHXVGXBGJ-JDMFINLCSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473734375 851790433 /nfs/dbraw/zinc/79/04/33/851790433.db2.gz JZAUCVHXVGXBGJ-JDMFINLCSA-N 2 1 398.595 3.869 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473734375 851790437 /nfs/dbraw/zinc/79/04/37/851790437.db2.gz JZAUCVHXVGXBGJ-JDMFINLCSA-N 2 1 398.595 3.869 20 0 GHADMP O=C(C[N@H+]1CCCC[C@@H]1c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000570254550 851794341 /nfs/dbraw/zinc/79/43/41/851794341.db2.gz NQOPAWIMPRFENX-HSZRJFAPSA-N 2 1 393.531 3.685 20 0 GHADMP O=C(CN1CCCC[C@@H]1c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000570254550 851794349 /nfs/dbraw/zinc/79/43/49/851794349.db2.gz NQOPAWIMPRFENX-HSZRJFAPSA-N 2 1 393.531 3.685 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473743586 851818394 /nfs/dbraw/zinc/81/83/94/851818394.db2.gz NQPQMNIKXZSFSE-WSWWRLHASA-N 2 1 386.584 3.726 20 0 GHADMP [NH3+]C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000911620041 851827331 /nfs/dbraw/zinc/82/73/31/851827331.db2.gz OYQUWSVFDNRZQE-FCHUYYIVSA-N 2 1 397.950 3.505 20 0 GHADMP COc1c(Br)cc(C[NH2+][C@H](C)CC[NH+](C)C)cc1Br ZINC000049554129 851844744 /nfs/dbraw/zinc/84/47/44/851844744.db2.gz OKVKSLWAGNUOFX-SNVBAGLBSA-N 2 1 394.151 3.650 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000517540596 852069669 /nfs/dbraw/zinc/06/96/69/852069669.db2.gz GCORIIQIDXETMG-NFBKMPQASA-N 2 1 394.563 3.595 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc(Br)c1O ZINC000517610800 852150693 /nfs/dbraw/zinc/15/06/93/852150693.db2.gz NJSCXXFARHEDIB-UHFFFAOYSA-N 2 1 385.346 3.763 20 0 GHADMP CC(C)Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550263472 852231590 /nfs/dbraw/zinc/23/15/90/852231590.db2.gz NQMIIYQAKDOQQK-QHCPKHFHSA-N 2 1 396.579 3.558 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000438306861 852243160 /nfs/dbraw/zinc/24/31/60/852243160.db2.gz QQQCXXDKXZHWAP-IPJJNNNSSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000438306861 852243169 /nfs/dbraw/zinc/24/31/69/852243169.db2.gz QQQCXXDKXZHWAP-IPJJNNNSSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000438306861 852243180 /nfs/dbraw/zinc/24/31/80/852243180.db2.gz QQQCXXDKXZHWAP-IPJJNNNSSA-N 2 1 390.616 3.736 20 0 GHADMP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)N1CC[NH+](C)CC1 ZINC000030665257 862337468 /nfs/dbraw/zinc/33/74/68/862337468.db2.gz BCOBNIHQGQFQDX-LJQANCHMSA-N 2 1 398.576 3.918 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(Br)CC3)CC2)cs1 ZINC000925031428 852278131 /nfs/dbraw/zinc/27/81/31/852278131.db2.gz NPVGCLNHCXXQLD-ZDUSSCGKSA-N 2 1 386.403 3.823 20 0 GHADMP Cc1cc(O[C@@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C(C)C ZINC000516207612 852289200 /nfs/dbraw/zinc/28/92/00/852289200.db2.gz CZSFEIIKEFVQHT-SFHVURJKSA-N 2 1 396.535 3.671 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506927598 852346687 /nfs/dbraw/zinc/34/66/87/852346687.db2.gz AJOCPKSRSGARGN-FCHUYYIVSA-N 2 1 392.632 3.795 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167961297 852389227 /nfs/dbraw/zinc/38/92/27/852389227.db2.gz HPJCKJRGPLRZMX-UMQXSMKFSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984505 852539747 /nfs/dbraw/zinc/53/97/47/852539747.db2.gz PJOFSJAKVRUQCS-CTLHLVSWSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984505 852539748 /nfs/dbraw/zinc/53/97/48/852539748.db2.gz PJOFSJAKVRUQCS-CTLHLVSWSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001167984505 852539751 /nfs/dbraw/zinc/53/97/51/852539751.db2.gz PJOFSJAKVRUQCS-CTLHLVSWSA-N 2 1 391.600 3.875 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506311256 852667099 /nfs/dbraw/zinc/66/70/99/852667099.db2.gz VQXIVTFUJNNMMC-WIYYLYMNSA-N 2 1 396.535 3.584 20 0 GHADMP C[C@@H]1[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000489956785 852671090 /nfs/dbraw/zinc/67/10/90/852671090.db2.gz NPDQEFMFEUFHNJ-BWKNWUBXSA-N 2 1 377.576 3.946 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000490086528 852762931 /nfs/dbraw/zinc/76/29/31/852762931.db2.gz IJYIRULRSAWWPH-HSZRJFAPSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000507352567 852819883 /nfs/dbraw/zinc/81/98/83/852819883.db2.gz KRSFPACBOZJGCK-QHCPKHFHSA-N 2 1 383.511 3.541 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000507352567 852819886 /nfs/dbraw/zinc/81/98/86/852819886.db2.gz KRSFPACBOZJGCK-QHCPKHFHSA-N 2 1 383.511 3.541 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516649038 852838423 /nfs/dbraw/zinc/83/84/23/852838423.db2.gz VSJZEIDQNGUSFR-MNEFBYGVSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516649038 852838430 /nfs/dbraw/zinc/83/84/30/852838430.db2.gz VSJZEIDQNGUSFR-MNEFBYGVSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000507521840 853004914 /nfs/dbraw/zinc/00/49/14/853004914.db2.gz BBKGONHOIKOKMP-FCJDFRRUSA-N 2 1 378.564 3.822 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(Br)c1OC(F)F ZINC000414962211 853019031 /nfs/dbraw/zinc/01/90/31/853019031.db2.gz SHXBNSUYNUGNQB-GXFFZTMASA-N 2 1 393.272 3.537 20 0 GHADMP C[C@H]1CC([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047191 862431104 /nfs/dbraw/zinc/43/11/04/862431104.db2.gz QGOCTLHCOFAUDI-OOOLTRJPSA-N 2 1 395.591 3.665 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167987486 853252595 /nfs/dbraw/zinc/25/25/95/853252595.db2.gz CABGRMBBOHKDAP-ZWZGKBJOSA-N 2 1 385.577 3.582 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167987486 853252601 /nfs/dbraw/zinc/25/26/01/853252601.db2.gz CABGRMBBOHKDAP-ZWZGKBJOSA-N 2 1 385.577 3.582 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167987486 853252607 /nfs/dbraw/zinc/25/26/07/853252607.db2.gz CABGRMBBOHKDAP-ZWZGKBJOSA-N 2 1 385.577 3.582 20 0 GHADMP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473870769 853253439 /nfs/dbraw/zinc/25/34/39/853253439.db2.gz ABYHGCHCRMCGIN-KNQAVFIVSA-N 2 1 386.584 3.726 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517084727 853338215 /nfs/dbraw/zinc/33/82/15/853338215.db2.gz MKBXDFUHKBJAPM-LJQANCHMSA-N 2 1 397.485 3.614 20 0 GHADMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517084727 853338223 /nfs/dbraw/zinc/33/82/23/853338223.db2.gz MKBXDFUHKBJAPM-LJQANCHMSA-N 2 1 397.485 3.614 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517084727 853338231 /nfs/dbraw/zinc/33/82/31/853338231.db2.gz MKBXDFUHKBJAPM-LJQANCHMSA-N 2 1 397.485 3.614 20 0 GHADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517084727 853338243 /nfs/dbraw/zinc/33/82/43/853338243.db2.gz MKBXDFUHKBJAPM-LJQANCHMSA-N 2 1 397.485 3.614 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)n[nH]1 ZINC000439143906 853339194 /nfs/dbraw/zinc/33/91/94/853339194.db2.gz VITMBNULHLOKBL-AKIFATBCSA-N 2 1 393.579 3.577 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439142933 853339265 /nfs/dbraw/zinc/33/92/65/853339265.db2.gz XOHPOWPTZQYHQF-PBHICJAKSA-N 2 1 387.387 3.644 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437632524 853339890 /nfs/dbraw/zinc/33/98/90/853339890.db2.gz BEXGLFMZWIEQJD-PZJWPPBQSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437632524 853339895 /nfs/dbraw/zinc/33/98/95/853339895.db2.gz BEXGLFMZWIEQJD-PZJWPPBQSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437632524 853339906 /nfs/dbraw/zinc/33/99/06/853339906.db2.gz BEXGLFMZWIEQJD-PZJWPPBQSA-N 2 1 378.605 3.595 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000491030016 853408128 /nfs/dbraw/zinc/40/81/28/853408128.db2.gz UXLFCMXKTFZMBX-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000491030016 853408137 /nfs/dbraw/zinc/40/81/37/853408137.db2.gz UXLFCMXKTFZMBX-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000491030016 853408143 /nfs/dbraw/zinc/40/81/43/853408143.db2.gz UXLFCMXKTFZMBX-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000491030016 853408149 /nfs/dbraw/zinc/40/81/49/853408149.db2.gz UXLFCMXKTFZMBX-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000491030016 853408153 /nfs/dbraw/zinc/40/81/53/853408153.db2.gz UXLFCMXKTFZMBX-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000458853819 853421976 /nfs/dbraw/zinc/42/19/76/853421976.db2.gz OZWROXDEYIJTQQ-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP Fc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2COc3ccccc3O2)cc1 ZINC000426318898 853423075 /nfs/dbraw/zinc/42/30/75/853423075.db2.gz MQFYTEGPPXPLOE-XBJMDHIQSA-N 2 1 396.506 3.793 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000518516438 853453574 /nfs/dbraw/zinc/45/35/74/853453574.db2.gz CJTRURJMSCNQJH-AUSIDOKSSA-N 2 1 377.532 3.848 20 0 GHADMP C[N@H+](CC1CCC(C(F)(F)F)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425929444 853657059 /nfs/dbraw/zinc/65/70/59/853657059.db2.gz XQUDVTPGBIQLQI-SOAGJPPSSA-N 2 1 384.486 3.924 20 0 GHADMP C[N@@H+](CC1CCC(C(F)(F)F)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425929444 853657063 /nfs/dbraw/zinc/65/70/63/853657063.db2.gz XQUDVTPGBIQLQI-SOAGJPPSSA-N 2 1 384.486 3.924 20 0 GHADMP C[NH+](CC1CCC(C(F)(F)F)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425929444 853657069 /nfs/dbraw/zinc/65/70/69/853657069.db2.gz XQUDVTPGBIQLQI-SOAGJPPSSA-N 2 1 384.486 3.924 20 0 GHADMP C[NH+](CC1CCC(C(F)(F)F)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425929444 853657071 /nfs/dbraw/zinc/65/70/71/853657071.db2.gz XQUDVTPGBIQLQI-SOAGJPPSSA-N 2 1 384.486 3.924 20 0 GHADMP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)o2)cc1 ZINC000439476386 853689103 /nfs/dbraw/zinc/68/91/03/853689103.db2.gz HDXZKPAZJNFJMZ-LJQANCHMSA-N 2 1 397.563 3.921 20 0 GHADMP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)o2)cc1 ZINC000439476386 853689109 /nfs/dbraw/zinc/68/91/09/853689109.db2.gz HDXZKPAZJNFJMZ-LJQANCHMSA-N 2 1 397.563 3.921 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000506598592 853715907 /nfs/dbraw/zinc/71/59/07/853715907.db2.gz UYXREFDOPRQVKH-SFHLNBCPSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000506598592 853715911 /nfs/dbraw/zinc/71/59/11/853715911.db2.gz UYXREFDOPRQVKH-SFHLNBCPSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000506598592 853715912 /nfs/dbraw/zinc/71/59/12/853715912.db2.gz UYXREFDOPRQVKH-SFHLNBCPSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000506598592 853715915 /nfs/dbraw/zinc/71/59/15/853715915.db2.gz UYXREFDOPRQVKH-SFHLNBCPSA-N 2 1 394.987 3.804 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000571351537 853851207 /nfs/dbraw/zinc/85/12/07/853851207.db2.gz CQYDACVFWNEADZ-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407732 853871022 /nfs/dbraw/zinc/87/10/22/853871022.db2.gz KCTBEUBZFNFMDK-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407732 853871025 /nfs/dbraw/zinc/87/10/25/853871025.db2.gz KCTBEUBZFNFMDK-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3ccc(C)cc3)C2)s1 ZINC000571407732 853871029 /nfs/dbraw/zinc/87/10/29/853871029.db2.gz KCTBEUBZFNFMDK-UXHICEINSA-N 2 1 388.577 3.559 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnc(C(C)(C)C)s2)c2cccs2)CC1 ZINC000520190534 853939600 /nfs/dbraw/zinc/93/96/00/853939600.db2.gz XQWPMWQULUOALL-INIZCTEOSA-N 2 1 378.611 3.580 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4cccc(F)c4F)o3)C2)CC1 ZINC000520305854 854050692 /nfs/dbraw/zinc/05/06/92/854050692.db2.gz RTXKAHUQBHACLJ-KRWDZBQOSA-N 2 1 389.490 3.825 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1(C)C ZINC000441387055 854169242 /nfs/dbraw/zinc/16/92/42/854169242.db2.gz QGGAIOUVRFCDKL-UHFFFAOYSA-N 2 1 377.479 3.557 20 0 GHADMP C[C@@H]1CC([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047505 862540407 /nfs/dbraw/zinc/54/04/07/862540407.db2.gz RXAHXAQJFGAXDF-VSQYNUGQSA-N 2 1 395.591 3.903 20 0 GHADMP C[C@@H]1CC([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168047505 862540413 /nfs/dbraw/zinc/54/04/13/862540413.db2.gz RXAHXAQJFGAXDF-VSQYNUGQSA-N 2 1 395.591 3.903 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C(C)C ZINC000588267143 854262810 /nfs/dbraw/zinc/26/28/10/854262810.db2.gz PSLKFOHUZFFAGX-SFHVURJKSA-N 2 1 380.602 3.551 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000588686234 854358257 /nfs/dbraw/zinc/35/82/57/854358257.db2.gz AQQOVULBRCREOI-KRWDZBQOSA-N 2 1 389.952 3.575 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000588686234 854358263 /nfs/dbraw/zinc/35/82/63/854358263.db2.gz AQQOVULBRCREOI-KRWDZBQOSA-N 2 1 389.952 3.575 20 0 GHADMP c1cc(-c2ncnc3c2CC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)co1 ZINC001167994175 854436950 /nfs/dbraw/zinc/43/69/50/854436950.db2.gz YESKSELAERRAHE-YOFSQIOKSA-N 2 1 378.520 3.543 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)co1 ZINC001167994175 854436952 /nfs/dbraw/zinc/43/69/52/854436952.db2.gz YESKSELAERRAHE-YOFSQIOKSA-N 2 1 378.520 3.543 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)co1 ZINC001167994175 854436954 /nfs/dbraw/zinc/43/69/54/854436954.db2.gz YESKSELAERRAHE-YOFSQIOKSA-N 2 1 378.520 3.543 20 0 GHADMP C[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995835 854553387 /nfs/dbraw/zinc/55/33/87/854553387.db2.gz RKNJYKSGIBRJJU-WRURNZQNSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995835 854553396 /nfs/dbraw/zinc/55/33/96/854553396.db2.gz RKNJYKSGIBRJJU-WRURNZQNSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995835 854553404 /nfs/dbraw/zinc/55/34/04/854553404.db2.gz RKNJYKSGIBRJJU-WRURNZQNSA-N 2 1 377.573 3.581 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)s2)cc1 ZINC000765791451 854820317 /nfs/dbraw/zinc/82/03/17/854820317.db2.gz JFBLTUKADLMXHR-UCLAIMLFSA-N 2 1 387.549 3.641 20 0 GHADMP COc1ccc(-c2nc(C)c([C@H](C)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)s2)cc1 ZINC000765791451 854820321 /nfs/dbraw/zinc/82/03/21/854820321.db2.gz JFBLTUKADLMXHR-UCLAIMLFSA-N 2 1 387.549 3.641 20 0 GHADMP C[C@H](C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000589605797 855057319 /nfs/dbraw/zinc/05/73/19/855057319.db2.gz YDYCDBVOTKDYGJ-HXUWFJFHSA-N 2 1 379.548 3.634 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C(F)F)ccc3F)CC2)CC1 ZINC000655164804 855143649 /nfs/dbraw/zinc/14/36/49/855143649.db2.gz GKQUKNHMMQEHDZ-UHFFFAOYSA-N 2 1 383.458 3.898 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000624105952 862657025 /nfs/dbraw/zinc/65/70/25/862657025.db2.gz JECISKLMDVAZCX-HSZRJFAPSA-N 2 1 377.532 3.846 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000590161927 855304734 /nfs/dbraw/zinc/30/47/34/855304734.db2.gz VJVDLOXRPGKAQU-QFIPXVFZSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)[NH+]1CCc2ccccc2C1 ZINC000590395801 855388044 /nfs/dbraw/zinc/38/80/44/855388044.db2.gz ILCIHSLFNMCBGH-XZOQPEGZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@@H](CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)[NH+]1CCc2ccccc2C1 ZINC000590395801 855388049 /nfs/dbraw/zinc/38/80/49/855388049.db2.gz ILCIHSLFNMCBGH-XZOQPEGZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000590395801 855388054 /nfs/dbraw/zinc/38/80/54/855388054.db2.gz ILCIHSLFNMCBGH-XZOQPEGZSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC)[N@H+]1CCc2ccccc2C1 ZINC000590395801 855388060 /nfs/dbraw/zinc/38/80/60/855388060.db2.gz ILCIHSLFNMCBGH-XZOQPEGZSA-N 2 1 379.548 3.633 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000172555317 855415567 /nfs/dbraw/zinc/41/55/67/855415567.db2.gz PSFAWNYBNTWAEP-XXBNENTESA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)c1ccccc1 ZINC000591446722 855992170 /nfs/dbraw/zinc/99/21/70/855992170.db2.gz VOWQLCDJNVXIMP-JOCHJYFZSA-N 2 1 376.504 3.880 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168560858 856014252 /nfs/dbraw/zinc/01/42/52/856014252.db2.gz SUVCPMZRJVXKER-JKSUJKDBSA-N 2 1 393.494 3.733 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168560858 856014254 /nfs/dbraw/zinc/01/42/54/856014254.db2.gz SUVCPMZRJVXKER-JKSUJKDBSA-N 2 1 393.494 3.733 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168560857 856014893 /nfs/dbraw/zinc/01/48/93/856014893.db2.gz SUVCPMZRJVXKER-HZPDHXFCSA-N 2 1 393.494 3.733 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168560857 856014900 /nfs/dbraw/zinc/01/49/00/856014900.db2.gz SUVCPMZRJVXKER-HZPDHXFCSA-N 2 1 393.494 3.733 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000542831062 856060620 /nfs/dbraw/zinc/06/06/20/856060620.db2.gz BUVSKKFNUOMERN-DEOSSOPVSA-N 2 1 393.575 3.963 20 0 GHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000031231022 856154780 /nfs/dbraw/zinc/15/47/80/856154780.db2.gz DHRAQBIIOSLTIX-ROUUACIJSA-N 2 1 381.520 3.610 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3C3CC3)c2)C1 ZINC000674334539 856178599 /nfs/dbraw/zinc/17/85/99/856178599.db2.gz UPWDWDPQUYPXDJ-QFIPXVFZSA-N 2 1 377.532 3.551 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000905132145 856181033 /nfs/dbraw/zinc/18/10/33/856181033.db2.gz JYCCJLBBKOCRSL-NXLVEIQXSA-N 2 1 388.577 3.595 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)[C@@H]1c1cccs1 ZINC000905132145 856181044 /nfs/dbraw/zinc/18/10/44/856181044.db2.gz JYCCJLBBKOCRSL-NXLVEIQXSA-N 2 1 388.577 3.595 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000057847017 856236661 /nfs/dbraw/zinc/23/66/61/856236661.db2.gz IUWSASAKBRSDRT-UHFFFAOYSA-N 2 1 387.446 3.578 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCS2 ZINC000467427375 856265787 /nfs/dbraw/zinc/26/57/87/856265787.db2.gz FSPVAQDNLASBKY-OAQYLSRUSA-N 2 1 384.545 3.854 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000429228784 856307970 /nfs/dbraw/zinc/30/79/70/856307970.db2.gz FPCIXENJSXNPNC-GOSISDBHSA-N 2 1 392.906 3.756 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000429228784 856307977 /nfs/dbraw/zinc/30/79/77/856307977.db2.gz FPCIXENJSXNPNC-GOSISDBHSA-N 2 1 392.906 3.756 20 0 GHADMP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000669420598 856345501 /nfs/dbraw/zinc/34/55/01/856345501.db2.gz RRCOGHXSVSYVEP-FYYLOGMGSA-N 2 1 394.563 3.678 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000573627267 856361242 /nfs/dbraw/zinc/36/12/42/856361242.db2.gz PSNWTGNPFKRPCZ-HSZRJFAPSA-N 2 1 382.548 3.606 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)C2)CC1 ZINC000573645400 856368185 /nfs/dbraw/zinc/36/81/85/856368185.db2.gz GPCOORJCRBUZFL-HNNXBMFYSA-N 2 1 394.350 3.738 20 0 GHADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000573727389 856454994 /nfs/dbraw/zinc/45/49/94/856454994.db2.gz QYDXQONLAHSTAC-SLFFLAALSA-N 2 1 392.559 3.737 20 0 GHADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000573727389 856454999 /nfs/dbraw/zinc/45/49/99/856454999.db2.gz QYDXQONLAHSTAC-SLFFLAALSA-N 2 1 392.559 3.737 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465358 856608833 /nfs/dbraw/zinc/60/88/33/856608833.db2.gz JWJXPZSUYDSZKI-HSZRJFAPSA-N 2 1 394.559 3.723 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)C1 ZINC000105273514 856631615 /nfs/dbraw/zinc/63/16/15/856631615.db2.gz PVNVNLZKXQXVNM-IBGZPJMESA-N 2 1 394.991 3.534 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)Cc2ccccc2C)cc1 ZINC000542887097 856669278 /nfs/dbraw/zinc/66/92/78/856669278.db2.gz WDGONGROYDWSNG-OALUTQOASA-N 2 1 390.531 3.887 20 0 GHADMP CC1(C)CC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000427823177 856769450 /nfs/dbraw/zinc/76/94/50/856769450.db2.gz DRYSPBXJXQWFHW-IBGZPJMESA-N 2 1 375.532 3.606 20 0 GHADMP CC1(C)CC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000427823177 856769526 /nfs/dbraw/zinc/76/95/26/856769526.db2.gz DRYSPBXJXQWFHW-IBGZPJMESA-N 2 1 375.532 3.606 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000672226501 856887522 /nfs/dbraw/zinc/88/75/22/856887522.db2.gz VRYGQFMLEGXAQS-HKBOAZHASA-N 2 1 399.579 3.639 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164188 856896627 /nfs/dbraw/zinc/89/66/27/856896627.db2.gz CFAFBLXKZREYKU-PXDATVDWSA-N 3 1 392.591 3.794 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164188 856896629 /nfs/dbraw/zinc/89/66/29/856896629.db2.gz CFAFBLXKZREYKU-PXDATVDWSA-N 2 1 392.591 3.794 20 0 GHADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492321 856899195 /nfs/dbraw/zinc/89/91/95/856899195.db2.gz XTSXIHOXJOTCAQ-RBUKOAKNSA-N 2 1 397.519 3.730 20 0 GHADMP CCCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486025618 857356268 /nfs/dbraw/zinc/35/62/68/857356268.db2.gz CNYIVSYBTWGMKX-SFTDATJTSA-N 2 1 380.536 3.664 20 0 GHADMP CCCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486025618 857356274 /nfs/dbraw/zinc/35/62/74/857356274.db2.gz CNYIVSYBTWGMKX-SFTDATJTSA-N 2 1 380.536 3.664 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391794 857445057 /nfs/dbraw/zinc/44/50/57/857445057.db2.gz CWMMGRZZBDTQQC-PMACEKPBSA-N 2 1 388.939 3.582 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000671741874 857759500 /nfs/dbraw/zinc/75/95/00/857759500.db2.gz ITZNEUJSHUPIQY-GUDVDZBRSA-N 2 1 397.519 3.854 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000676403150 857865603 /nfs/dbraw/zinc/86/56/03/857865603.db2.gz FGUUKCVOITUHMN-HXUWFJFHSA-N 2 1 399.579 3.779 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2cccs2)s1 ZINC000521318376 857867147 /nfs/dbraw/zinc/86/71/47/857867147.db2.gz XGXALENONUTGKL-MRXNPFEDSA-N 2 1 378.611 3.720 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000605339388 862967193 /nfs/dbraw/zinc/96/71/93/862967193.db2.gz IOBZFRZNCRNEQO-UHFFFAOYSA-N 2 1 396.535 3.545 20 0 GHADMP C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000066853763 857975544 /nfs/dbraw/zinc/97/55/44/857975544.db2.gz HHLDUCZRTATACL-SFTDATJTSA-N 2 1 393.575 3.891 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000181685599 862972516 /nfs/dbraw/zinc/97/25/16/862972516.db2.gz VGZYCLYTRGLWEB-OAHLLOKOSA-N 2 1 379.460 3.827 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2cccc(Br)c21 ZINC000482346922 862976253 /nfs/dbraw/zinc/97/62/53/862976253.db2.gz BKKQWIZEVXBKFO-HNAYVOBHSA-N 2 1 394.401 3.861 20 0 GHADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000482360547 862984853 /nfs/dbraw/zinc/98/48/53/862984853.db2.gz SNCXJKITNHWOIP-LJQANCHMSA-N 2 1 382.390 3.763 20 0 GHADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](CCCc2ccccc2)c2ccc(F)cc2)n1 ZINC000665292907 858110368 /nfs/dbraw/zinc/11/03/68/858110368.db2.gz LSUMQXACILVZIG-HXUWFJFHSA-N 2 1 380.467 3.634 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)ccc2oc1=O ZINC000624205551 862987140 /nfs/dbraw/zinc/98/71/40/862987140.db2.gz HEUJLANHOJHILR-PWRODBHTSA-N 2 1 391.515 3.664 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574754348 858159940 /nfs/dbraw/zinc/15/99/40/858159940.db2.gz XAKRDRXOVRVFNG-PZJWPPBQSA-N 2 1 395.950 3.899 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574754348 858159944 /nfs/dbraw/zinc/15/99/44/858159944.db2.gz XAKRDRXOVRVFNG-PZJWPPBQSA-N 2 1 395.950 3.899 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000521614320 858174707 /nfs/dbraw/zinc/17/47/07/858174707.db2.gz IJWBSIVNOXKAGB-CTNGQTDRSA-N 2 1 392.465 3.721 20 0 GHADMP CC(C)N1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)CC1 ZINC000543072582 858185915 /nfs/dbraw/zinc/18/59/15/858185915.db2.gz MMZRZPUKLHRAFV-NHCUHLMSSA-N 2 1 387.612 3.658 20 0 GHADMP CC(C)N1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)CC1 ZINC000543072587 858186091 /nfs/dbraw/zinc/18/60/91/858186091.db2.gz MMZRZPUKLHRAFV-SFTDATJTSA-N 2 1 387.612 3.658 20 0 GHADMP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442869901 858187152 /nfs/dbraw/zinc/18/71/52/858187152.db2.gz QEJYYTNGBMTBKC-NRFANRHFSA-N 2 1 387.612 3.968 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000521955747 858483106 /nfs/dbraw/zinc/48/31/06/858483106.db2.gz WBEPGAXSDVMZPX-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000521955747 858483112 /nfs/dbraw/zinc/48/31/12/858483112.db2.gz WBEPGAXSDVMZPX-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000521955747 858483120 /nfs/dbraw/zinc/48/31/20/858483120.db2.gz WBEPGAXSDVMZPX-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP Clc1ccccc1CN1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000765974496 858586310 /nfs/dbraw/zinc/58/63/10/858586310.db2.gz HWIHXIRTQJBGAX-NRFANRHFSA-N 2 1 391.987 3.537 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000466210516 858725626 /nfs/dbraw/zinc/72/56/26/858725626.db2.gz MQKABDJDZNIYAP-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466210516 858725635 /nfs/dbraw/zinc/72/56/35/858725635.db2.gz MQKABDJDZNIYAP-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466210516 858725643 /nfs/dbraw/zinc/72/56/43/858725643.db2.gz MQKABDJDZNIYAP-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000466210517 858726124 /nfs/dbraw/zinc/72/61/24/858726124.db2.gz MQKABDJDZNIYAP-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466210517 858726128 /nfs/dbraw/zinc/72/61/28/858726128.db2.gz MQKABDJDZNIYAP-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466210517 858726131 /nfs/dbraw/zinc/72/61/31/858726131.db2.gz MQKABDJDZNIYAP-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)C[C@@H](C)O1 ZINC000543183007 858760265 /nfs/dbraw/zinc/76/02/65/858760265.db2.gz DBFPQVSWKGODQC-YVHKJVDXSA-N 2 1 392.971 3.918 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000474075736 858791646 /nfs/dbraw/zinc/79/16/46/858791646.db2.gz WGXJCXXSOAGLCW-YGOYIFOWSA-N 2 1 394.559 3.890 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000474075736 858791652 /nfs/dbraw/zinc/79/16/52/858791652.db2.gz WGXJCXXSOAGLCW-YGOYIFOWSA-N 2 1 394.559 3.890 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(Cl)s2)cc1 ZINC000183678403 858794781 /nfs/dbraw/zinc/79/47/81/858794781.db2.gz CHVXCMTXGIMJSQ-ZDUSSCGKSA-N 2 1 388.924 3.863 20 0 GHADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C12CCC2 ZINC000557003052 881357399 /nfs/dbraw/zinc/35/73/99/881357399.db2.gz AQYGWCGKWUFTBB-XZOQPEGZSA-N 2 1 385.596 3.997 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000922971134 858908376 /nfs/dbraw/zinc/90/83/76/858908376.db2.gz HMMRIBVEOFMRPK-YOEKFXIASA-N 2 1 399.579 3.828 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(OC4CC4)c3F)C2)ccn1 ZINC000856547526 881360811 /nfs/dbraw/zinc/36/08/11/881360811.db2.gz AJPZFWOSJYNPBN-OAQYLSRUSA-N 2 1 399.510 3.867 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(OC4CC4)c3F)C2)ccn1 ZINC000856547526 881360827 /nfs/dbraw/zinc/36/08/27/881360827.db2.gz AJPZFWOSJYNPBN-OAQYLSRUSA-N 2 1 399.510 3.867 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(OC4CC4)c3F)C2)ccn1 ZINC000856547526 881360847 /nfs/dbraw/zinc/36/08/47/881360847.db2.gz AJPZFWOSJYNPBN-OAQYLSRUSA-N 2 1 399.510 3.867 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)ccn1 ZINC000856547526 881360869 /nfs/dbraw/zinc/36/08/69/881360869.db2.gz AJPZFWOSJYNPBN-OAQYLSRUSA-N 2 1 399.510 3.867 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC2CCCCC2)[C@@H](C)C1 ZINC000482877310 858937060 /nfs/dbraw/zinc/93/70/60/858937060.db2.gz QWRCLQAVXSNAMA-WWNPGLIZSA-N 2 1 379.633 3.758 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000482877310 858937067 /nfs/dbraw/zinc/93/70/67/858937067.db2.gz QWRCLQAVXSNAMA-WWNPGLIZSA-N 2 1 379.633 3.758 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)[C@@H](C)C1 ZINC000482877310 858937075 /nfs/dbraw/zinc/93/70/75/858937075.db2.gz QWRCLQAVXSNAMA-WWNPGLIZSA-N 2 1 379.633 3.758 20 0 GHADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000482885655 858941549 /nfs/dbraw/zinc/94/15/49/858941549.db2.gz HUBUHPOKIKTYAX-GOSISDBHSA-N 2 1 386.367 3.977 20 0 GHADMP c1oc(-c2ccccc2)nc1CN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166437211 858948814 /nfs/dbraw/zinc/94/88/14/858948814.db2.gz GPZMQHKBLFTWJF-RBBKRZOGSA-N 2 1 380.536 3.522 20 0 GHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000482914728 858963670 /nfs/dbraw/zinc/96/36/70/858963670.db2.gz IZVYRZKPEQQFLM-OALUTQOASA-N 2 1 392.613 3.524 20 0 GHADMP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)sc1C ZINC000443596743 859023851 /nfs/dbraw/zinc/02/38/51/859023851.db2.gz BHORFXCGMWRMOE-INIZCTEOSA-N 2 1 378.586 3.675 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000443619328 859068978 /nfs/dbraw/zinc/06/89/78/859068978.db2.gz PPYBEAATWCPCET-INIZCTEOSA-N 2 1 379.451 3.553 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000443619328 859068991 /nfs/dbraw/zinc/06/89/91/859068991.db2.gz PPYBEAATWCPCET-INIZCTEOSA-N 2 1 379.451 3.553 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000443619330 859069469 /nfs/dbraw/zinc/06/94/69/859069469.db2.gz PPYBEAATWCPCET-MRXNPFEDSA-N 2 1 379.451 3.553 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3c(F)cccc3F)n2)C1 ZINC000443619330 859069475 /nfs/dbraw/zinc/06/94/75/859069475.db2.gz PPYBEAATWCPCET-MRXNPFEDSA-N 2 1 379.451 3.553 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000532193480 881378969 /nfs/dbraw/zinc/37/89/69/881378969.db2.gz XFTNQFFPBJPTRO-XMMPIXPASA-N 2 1 395.616 3.944 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCOc3ccccc32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023360 859101610 /nfs/dbraw/zinc/10/16/10/859101610.db2.gz VTBDNWQSYGQMPW-RRZZWSPOSA-N 2 1 380.532 3.688 20 0 GHADMP CC(C)[C@H](CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185699484 859118094 /nfs/dbraw/zinc/11/80/94/859118094.db2.gz QUKKDCWENVTBLI-WPYKKVEZSA-N 2 1 385.596 3.785 20 0 GHADMP CC(C)[C@H](CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185699484 859118104 /nfs/dbraw/zinc/11/81/04/859118104.db2.gz QUKKDCWENVTBLI-WPYKKVEZSA-N 2 1 385.596 3.785 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185710977 859119247 /nfs/dbraw/zinc/11/92/47/859119247.db2.gz XZEOTVCLGFULQM-PZJWPPBQSA-N 2 1 383.580 3.729 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185710977 859119252 /nfs/dbraw/zinc/11/92/52/859119252.db2.gz XZEOTVCLGFULQM-PZJWPPBQSA-N 2 1 383.580 3.729 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(Oc4ccccn4)c3)cc2)C1 ZINC000922239337 859132129 /nfs/dbraw/zinc/13/21/29/859132129.db2.gz FVKJLJCYAJXEQQ-JOCHJYFZSA-N 2 1 389.499 3.730 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000483141292 859176459 /nfs/dbraw/zinc/17/64/59/859176459.db2.gz HADUALQHYNWRQU-URVUXULASA-N 2 1 386.584 3.603 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483146570 859181850 /nfs/dbraw/zinc/18/18/50/859181850.db2.gz RBJHMUZLZKCADA-VXKWHMMOSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483146570 859181858 /nfs/dbraw/zinc/18/18/58/859181858.db2.gz RBJHMUZLZKCADA-VXKWHMMOSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483146570 859181866 /nfs/dbraw/zinc/18/18/66/859181866.db2.gz RBJHMUZLZKCADA-VXKWHMMOSA-N 2 1 383.580 3.622 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000187143631 859218201 /nfs/dbraw/zinc/21/82/01/859218201.db2.gz POYFBLKASNLJEC-AWEZNQCLSA-N 2 1 385.346 3.615 20 0 GHADMP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000483235934 859232656 /nfs/dbraw/zinc/23/26/56/859232656.db2.gz UACRXUFUIHUESH-WOJBJXKFSA-N 2 1 392.632 3.983 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1)c1cccc(Cl)c1 ZINC000923497026 859371400 /nfs/dbraw/zinc/37/14/00/859371400.db2.gz KAUZMGAFWWAPIS-ZFWWWQNUSA-N 2 1 392.956 3.898 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cs1)c1cccc(Cl)c1 ZINC000923497026 859371406 /nfs/dbraw/zinc/37/14/06/859371406.db2.gz KAUZMGAFWWAPIS-ZFWWWQNUSA-N 2 1 392.956 3.898 20 0 GHADMP O=[S@](CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511948 859425755 /nfs/dbraw/zinc/42/57/55/859425755.db2.gz KLDOBBZQMYSNAD-WHCXKFMVSA-N 2 1 382.573 3.781 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(N3CCC3=O)c2)CC1 ZINC000671763838 859477589 /nfs/dbraw/zinc/47/75/89/859477589.db2.gz VVAWMUSEYIZGEG-UHFFFAOYSA-N 2 1 377.532 3.956 20 0 GHADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cnc(N3CC[NH+](C)CC3)nc1)CCC2 ZINC000536498803 859496899 /nfs/dbraw/zinc/49/68/99/859496899.db2.gz RJCDQYVBQHOCQV-QFIPXVFZSA-N 2 1 379.552 3.519 20 0 GHADMP COc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559216 881438817 /nfs/dbraw/zinc/43/88/17/881438817.db2.gz POBJQTANFATJRE-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559216 881438823 /nfs/dbraw/zinc/43/88/23/881438823.db2.gz POBJQTANFATJRE-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559216 881438834 /nfs/dbraw/zinc/43/88/34/881438834.db2.gz POBJQTANFATJRE-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856559216 881438837 /nfs/dbraw/zinc/43/88/37/881438837.db2.gz POBJQTANFATJRE-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC[N@H+]1C ZINC000465584734 859593550 /nfs/dbraw/zinc/59/35/50/859593550.db2.gz GUHZNIDLMKQYQY-PGRDOPGGSA-N 2 1 394.563 3.697 20 0 GHADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417577032 859603004 /nfs/dbraw/zinc/60/30/04/859603004.db2.gz VVTMPKUGKYNMMC-ZBFHGGJFSA-N 2 1 399.366 3.527 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483795431 859611571 /nfs/dbraw/zinc/61/15/71/859611571.db2.gz AQKKFISANYNIAB-SFHVURJKSA-N 2 1 378.605 3.593 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)C[C@@H]1C ZINC000483805003 859634598 /nfs/dbraw/zinc/63/45/98/859634598.db2.gz KZOWSXXZIGYZMU-CGBFIWBNSA-N 2 1 392.613 3.645 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C[C@@H]1C ZINC000483805003 859634603 /nfs/dbraw/zinc/63/46/03/859634603.db2.gz KZOWSXXZIGYZMU-CGBFIWBNSA-N 2 1 392.613 3.645 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C[C@@H]1C ZINC000483805003 859634606 /nfs/dbraw/zinc/63/46/06/859634606.db2.gz KZOWSXXZIGYZMU-CGBFIWBNSA-N 2 1 392.613 3.645 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 ZINC000764882281 859658776 /nfs/dbraw/zinc/65/87/76/859658776.db2.gz KIXJLQSKNPSQSQ-AUSIDOKSSA-N 2 1 379.548 3.651 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543427893 859684460 /nfs/dbraw/zinc/68/44/60/859684460.db2.gz GRYICDVDJQQYSJ-BJKOFHAPSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)C1 ZINC000543427893 859684471 /nfs/dbraw/zinc/68/44/71/859684471.db2.gz GRYICDVDJQQYSJ-BJKOFHAPSA-N 2 1 391.490 3.667 20 0 GHADMP C[C@H](c1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000118031739 859693517 /nfs/dbraw/zinc/69/35/17/859693517.db2.gz NOLKUFXEVZVKHQ-XMSQKQJNSA-N 2 1 396.535 3.504 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764964218 859711483 /nfs/dbraw/zinc/71/14/83/859711483.db2.gz QPKYZVDZBMIPEK-HZPDHXFCSA-N 2 1 388.524 3.846 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000474260771 859718191 /nfs/dbraw/zinc/71/81/91/859718191.db2.gz WFKAZEOBMXOOCV-QHCPKHFHSA-N 2 1 385.596 3.692 20 0 GHADMP FC(F)(F)c1ccc2nnc([C@@H]3CCC[N@H+](CCC[NH+]4CCCCC4)C3)n2c1 ZINC000161669776 859760146 /nfs/dbraw/zinc/76/01/46/859760146.db2.gz AONJTJIKGYAGQX-MRXNPFEDSA-N 2 1 395.473 3.804 20 0 GHADMP FC(F)(F)c1ccc2nnc([C@@H]3CCC[N@@H+](CCC[NH+]4CCCCC4)C3)n2c1 ZINC000161669776 859760154 /nfs/dbraw/zinc/76/01/54/859760154.db2.gz AONJTJIKGYAGQX-MRXNPFEDSA-N 2 1 395.473 3.804 20 0 GHADMP Cc1nc2ccccn2c1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562130 881471719 /nfs/dbraw/zinc/47/17/19/881471719.db2.gz YNFBIIAFZFBQIN-NRFANRHFSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1nc2ccccn2c1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562130 881471722 /nfs/dbraw/zinc/47/17/22/881471722.db2.gz YNFBIIAFZFBQIN-NRFANRHFSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562130 881471733 /nfs/dbraw/zinc/47/17/33/881471733.db2.gz YNFBIIAFZFBQIN-NRFANRHFSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000765379324 859941282 /nfs/dbraw/zinc/94/12/82/859941282.db2.gz SKSMUDNWUZUQDG-HNNXBMFYSA-N 2 1 387.528 3.661 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000765379326 859941789 /nfs/dbraw/zinc/94/17/89/859941789.db2.gz SKSMUDNWUZUQDG-OAHLLOKOSA-N 2 1 387.528 3.661 20 0 GHADMP CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000194887611 860035126 /nfs/dbraw/zinc/03/51/26/860035126.db2.gz NGPKWSPVGVWVBY-XLIONFOSSA-N 2 1 397.588 3.957 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@@H](C)C1 ZINC000484519174 860072331 /nfs/dbraw/zinc/07/23/31/860072331.db2.gz PGUVWGUREGVMDC-AVRDEDQJSA-N 2 1 384.568 3.716 20 0 GHADMP CC(C)[NH+](C)CC1CC[NH+]([C@H](C)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237167 /nfs/dbraw/zinc/23/71/67/860237167.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 4 1 394.692 3.869 20 0 GHADMP CC(C)[NH+](C)CC1CC[NH+](CC[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237179 /nfs/dbraw/zinc/23/71/79/860237179.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 4 1 394.692 3.869 20 0 GHADMP CC(C)[NH+](C)CC1CC[NH+](CC[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237185 /nfs/dbraw/zinc/23/71/85/860237185.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 4 1 394.692 3.869 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000533821133 860239175 /nfs/dbraw/zinc/23/91/75/860239175.db2.gz XKTHWRDTHHDCFK-JPYJTQIMSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000533821133 860239179 /nfs/dbraw/zinc/23/91/79/860239179.db2.gz XKTHWRDTHHDCFK-JPYJTQIMSA-N 2 1 392.547 3.698 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466973360 860480732 /nfs/dbraw/zinc/48/07/32/860480732.db2.gz DCEAKAMYKPPUOM-UHFFFAOYSA-N 2 1 396.579 3.630 20 0 GHADMP Cc1ccccc1-n1nccc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000474617205 860512910 /nfs/dbraw/zinc/51/29/10/860512910.db2.gz PCSKGJYLDGDXBG-HXUWFJFHSA-N 2 1 390.531 3.691 20 0 GHADMP Cc1ccccc1-n1nccc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000474617205 860512914 /nfs/dbraw/zinc/51/29/14/860512914.db2.gz PCSKGJYLDGDXBG-HXUWFJFHSA-N 2 1 390.531 3.691 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(C[NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000509023874 860580790 /nfs/dbraw/zinc/58/07/90/860580790.db2.gz OWOIITHIPOOTTL-HXUWFJFHSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000509023681 860582239 /nfs/dbraw/zinc/58/22/39/860582239.db2.gz OLUSQLLZTNHNML-IBGZPJMESA-N 2 1 394.991 3.754 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000474690380 860642231 /nfs/dbraw/zinc/64/22/31/860642231.db2.gz JNNJGUOXFCSWLU-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000474690380 860642234 /nfs/dbraw/zinc/64/22/34/860642234.db2.gz JNNJGUOXFCSWLU-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000474690380 860642235 /nfs/dbraw/zinc/64/22/35/860642235.db2.gz JNNJGUOXFCSWLU-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474690380 860642238 /nfs/dbraw/zinc/64/22/38/860642238.db2.gz JNNJGUOXFCSWLU-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474690380 860642241 /nfs/dbraw/zinc/64/22/41/860642241.db2.gz JNNJGUOXFCSWLU-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474695107 860647269 /nfs/dbraw/zinc/64/72/69/860647269.db2.gz FVFBOGGIGSXHFF-NRFANRHFSA-N 2 1 375.532 3.561 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474695107 860647270 /nfs/dbraw/zinc/64/72/70/860647270.db2.gz FVFBOGGIGSXHFF-NRFANRHFSA-N 2 1 375.532 3.561 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(-c4ccccc4)o3)C2)ccn1 ZINC000856592422 881563864 /nfs/dbraw/zinc/56/38/64/881563864.db2.gz HLGZNANDEIMQAC-NRFANRHFSA-N 2 1 392.503 3.842 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(-c4ccccc4)o3)C2)ccn1 ZINC000856592422 881563869 /nfs/dbraw/zinc/56/38/69/881563869.db2.gz HLGZNANDEIMQAC-NRFANRHFSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)o3)C2)ccn1 ZINC000856592422 881563876 /nfs/dbraw/zinc/56/38/76/881563876.db2.gz HLGZNANDEIMQAC-NRFANRHFSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)ccn1 ZINC000856592422 881563881 /nfs/dbraw/zinc/56/38/81/881563881.db2.gz HLGZNANDEIMQAC-NRFANRHFSA-N 2 1 392.503 3.842 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000474741800 860703952 /nfs/dbraw/zinc/70/39/52/860703952.db2.gz XXSBBWHDCWBBFV-NRFANRHFSA-N 2 1 397.607 3.938 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000474741800 860703956 /nfs/dbraw/zinc/70/39/56/860703956.db2.gz XXSBBWHDCWBBFV-NRFANRHFSA-N 2 1 397.607 3.938 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000474741800 860703962 /nfs/dbraw/zinc/70/39/62/860703962.db2.gz XXSBBWHDCWBBFV-NRFANRHFSA-N 2 1 397.607 3.938 20 0 GHADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522469761 860721010 /nfs/dbraw/zinc/72/10/10/860721010.db2.gz OPDTYBSWSHYLCA-GBXCKJPGSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522469762 860721220 /nfs/dbraw/zinc/72/12/20/860721220.db2.gz OPDTYBSWSHYLCA-HYBUGGRVSA-N 2 1 391.559 3.777 20 0 GHADMP CN(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000489825070 860763321 /nfs/dbraw/zinc/76/33/21/860763321.db2.gz LUCXBMKEGIWVTD-JTHBVZDNSA-N 2 1 383.511 3.577 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000489825070 860763325 /nfs/dbraw/zinc/76/33/25/860763325.db2.gz LUCXBMKEGIWVTD-JTHBVZDNSA-N 2 1 383.511 3.577 20 0 GHADMP COc1nc(C)cc(C)c1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603562 881577761 /nfs/dbraw/zinc/57/77/61/881577761.db2.gz BZEJKAUGTHLMFB-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856603562 881577771 /nfs/dbraw/zinc/57/77/71/881577771.db2.gz BZEJKAUGTHLMFB-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603562 881577773 /nfs/dbraw/zinc/57/77/73/881577773.db2.gz BZEJKAUGTHLMFB-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856605459 881581552 /nfs/dbraw/zinc/58/15/52/881581552.db2.gz CFKOIVREDRYRQH-QHCPKHFHSA-N 2 1 398.551 3.757 20 0 GHADMP CC(C)Oc1ccnc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856605459 881581564 /nfs/dbraw/zinc/58/15/64/881581564.db2.gz CFKOIVREDRYRQH-QHCPKHFHSA-N 2 1 398.551 3.757 20 0 GHADMP CC(C)Oc1ccnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856605459 881581580 /nfs/dbraw/zinc/58/15/80/881581580.db2.gz CFKOIVREDRYRQH-QHCPKHFHSA-N 2 1 398.551 3.757 20 0 GHADMP CC(C)Oc1ccnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856605459 881581596 /nfs/dbraw/zinc/58/15/96/881581596.db2.gz CFKOIVREDRYRQH-QHCPKHFHSA-N 2 1 398.551 3.757 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000667853324 860856416 /nfs/dbraw/zinc/85/64/16/860856416.db2.gz IATXTJCFIMNEKA-QGZVFWFLSA-N 2 1 378.520 3.986 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000603610562 860900526 /nfs/dbraw/zinc/90/05/26/860900526.db2.gz DKGBCYWNCAURHO-IBGZPJMESA-N 2 1 388.600 3.878 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCC[C@H](C)C4)CC3)C2=O)cc1 ZINC000189097811 881592683 /nfs/dbraw/zinc/59/26/83/881592683.db2.gz KLISWCDXUAHZRS-VJBMBRPKSA-N 2 1 383.580 3.729 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000899558080 861147305 /nfs/dbraw/zinc/14/73/05/861147305.db2.gz ACBPGJNSSDLVCW-HXUWFJFHSA-N 2 1 398.595 3.970 20 0 GHADMP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[N@H+]1C1CC1 ZINC000177120952 861160947 /nfs/dbraw/zinc/16/09/47/861160947.db2.gz DVHZIGXEOOOKMM-AVRDEDQJSA-N 2 1 377.532 3.674 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(OCc2cccnc2)c1 ZINC000443979151 863082025 /nfs/dbraw/zinc/08/20/25/863082025.db2.gz NZACQRQIEZFPJN-LJQANCHMSA-N 2 1 383.536 3.879 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(OCc2cccnc2)c1 ZINC000443979151 863082040 /nfs/dbraw/zinc/08/20/40/863082040.db2.gz NZACQRQIEZFPJN-LJQANCHMSA-N 2 1 383.536 3.879 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182131187 863132450 /nfs/dbraw/zinc/13/24/50/863132450.db2.gz MNFJLFXOMRYGPB-NRFANRHFSA-N 2 1 385.596 3.917 20 0 GHADMP C([NH+]1CCS[C@H]2CCCC[C@H]21)C1(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)COC1 ZINC000182224476 863154634 /nfs/dbraw/zinc/15/46/34/863154634.db2.gz UITHJUREZZWXPE-YRPNKDGESA-N 2 1 396.666 3.723 20 0 GHADMP C([NH+]1CCS[C@H]2CCCC[C@@H]21)C1(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)COC1 ZINC000182224476 863154637 /nfs/dbraw/zinc/15/46/37/863154637.db2.gz UITHJUREZZWXPE-YRPNKDGESA-N 2 1 396.666 3.723 20 0 GHADMP C([NH+]1CCS[C@H]2CCCC[C@@H]21)C1(C[N@H+]2CCS[C@H]3CCCC[C@H]32)COC1 ZINC000182224476 863154643 /nfs/dbraw/zinc/15/46/43/863154643.db2.gz UITHJUREZZWXPE-YRPNKDGESA-N 2 1 396.666 3.723 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000605852746 863287547 /nfs/dbraw/zinc/28/75/47/863287547.db2.gz PELLIKAKZIFBHJ-SFTDATJTSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000605852746 863287561 /nfs/dbraw/zinc/28/75/61/863287561.db2.gz PELLIKAKZIFBHJ-SFTDATJTSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000605852746 863287574 /nfs/dbraw/zinc/28/75/74/863287574.db2.gz PELLIKAKZIFBHJ-SFTDATJTSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000605852746 863287584 /nfs/dbraw/zinc/28/75/84/863287584.db2.gz PELLIKAKZIFBHJ-SFTDATJTSA-N 2 1 386.584 3.557 20 0 GHADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482560132 863314799 /nfs/dbraw/zinc/31/47/99/863314799.db2.gz ZPEACDAKRMTRIC-WIYYLYMNSA-N 2 1 395.547 3.600 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000332978608 863354460 /nfs/dbraw/zinc/35/44/60/863354460.db2.gz OJDTUUZCFLEUMK-FXAWDEMLSA-N 2 1 386.584 3.505 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C)c(F)c2)cc1 ZINC000183144620 863486070 /nfs/dbraw/zinc/48/60/70/863486070.db2.gz SBBQTKXUYHESLP-MRXNPFEDSA-N 2 1 380.467 3.595 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000183152145 863488824 /nfs/dbraw/zinc/48/88/24/863488824.db2.gz WUULTMDWQXVJHV-LSDHHAIUSA-N 2 1 392.459 3.587 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCc3sccc3C2)cc1 ZINC000183158038 863491897 /nfs/dbraw/zinc/49/18/97/863491897.db2.gz CEBUSTSFSOJZMU-HOTGVXAUSA-N 2 1 394.544 3.866 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522830917 863509830 /nfs/dbraw/zinc/50/98/30/863509830.db2.gz NLQCLSARTRNUFG-JOCHJYFZSA-N 2 1 392.547 3.918 20 0 GHADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000522853020 863561024 /nfs/dbraw/zinc/56/10/24/863561024.db2.gz IDTONEXZUBTZDA-UHFFFAOYSA-N 2 1 392.547 3.975 20 0 GHADMP Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(OCC[NH+](C)C)c1 ZINC000606589009 863735415 /nfs/dbraw/zinc/73/54/15/863735415.db2.gz NRXYXQUPRRUTNI-LJQANCHMSA-N 2 1 398.551 3.577 20 0 GHADMP Cc1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c(OCC[NH+](C)C)c1 ZINC000606590038 863736910 /nfs/dbraw/zinc/73/69/10/863736910.db2.gz WUBMAIBYBJZKEJ-UHFFFAOYSA-N 2 1 390.572 3.520 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000606704622 863770158 /nfs/dbraw/zinc/77/01/58/863770158.db2.gz VZYSYTOLISXWIJ-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C4CCCC4)C3)cc2)C1 ZINC000522986015 863862008 /nfs/dbraw/zinc/86/20/08/863862008.db2.gz ZHTBOAGUALYWRG-UGKGYDQZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)cc2)C1 ZINC000522986015 863862016 /nfs/dbraw/zinc/86/20/16/863862016.db2.gz ZHTBOAGUALYWRG-UGKGYDQZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)cc2)C1 ZINC000522986015 863862031 /nfs/dbraw/zinc/86/20/31/863862031.db2.gz ZHTBOAGUALYWRG-UGKGYDQZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CC([N@@H+]2CCC[C@@H](Oc3ncccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054681 863979855 /nfs/dbraw/zinc/97/98/55/863979855.db2.gz AHTCQOXABSAGPC-WOIUINJBSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1CC([N@H+]2CCC[C@@H](Oc3ncccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054681 863979870 /nfs/dbraw/zinc/97/98/70/863979870.db2.gz AHTCQOXABSAGPC-WOIUINJBSA-N 2 1 380.536 3.761 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)C[C@@H]3C2)cc1 ZINC000898518452 864077768 /nfs/dbraw/zinc/07/77/68/864077768.db2.gz IXOHECUWCBGNMZ-ZDXQCDESSA-N 3 1 390.575 3.941 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898519762 864080935 /nfs/dbraw/zinc/08/09/35/864080935.db2.gz RAFFTQXMYCJUKR-HKBOAZHASA-N 2 1 393.531 3.649 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)[C@H]1Oc1ccccc1 ZINC000480235314 864320508 /nfs/dbraw/zinc/32/05/08/864320508.db2.gz SYRQQNUSVQNYRL-MQSCRBSSSA-N 2 1 381.520 3.573 20 0 GHADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000480242481 864331368 /nfs/dbraw/zinc/33/13/68/864331368.db2.gz QLSFXSBZNDNVEN-IBGZPJMESA-N 2 1 386.971 3.984 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000621641364 864346156 /nfs/dbraw/zinc/34/61/56/864346156.db2.gz IATIUUDZKOAQPL-KRWDZBQOSA-N 2 1 397.485 3.520 20 0 GHADMP CCN(C(=O)NCC[C@H](C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475171957 864394813 /nfs/dbraw/zinc/39/48/13/864394813.db2.gz GFYGJWGXFVARMJ-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000554586480 864583485 /nfs/dbraw/zinc/58/34/85/864583485.db2.gz ISYWXVJBGHRAER-HXUWFJFHSA-N 2 1 394.991 3.754 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc4ccncc4s3)CC2)CC1 ZINC000667683313 864770332 /nfs/dbraw/zinc/77/03/32/864770332.db2.gz LXJCBULMSXKGFE-UHFFFAOYSA-N 2 1 386.609 3.924 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccncc2s1 ZINC000667683313 864770339 /nfs/dbraw/zinc/77/03/39/864770339.db2.gz LXJCBULMSXKGFE-UHFFFAOYSA-N 3 1 386.609 3.924 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccncc2s1 ZINC000667683313 864770346 /nfs/dbraw/zinc/77/03/46/864770346.db2.gz LXJCBULMSXKGFE-UHFFFAOYSA-N 3 1 386.609 3.924 20 0 GHADMP Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000622324897 864924524 /nfs/dbraw/zinc/92/45/24/864924524.db2.gz HCICWKFXTKXKQN-GOSISDBHSA-N 2 1 395.551 3.851 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000671190399 864935532 /nfs/dbraw/zinc/93/55/32/864935532.db2.gz SVLRONNKAPDXKN-UHFFFAOYSA-N 2 1 378.973 3.581 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)c1 ZINC000120965094 881822418 /nfs/dbraw/zinc/82/24/18/881822418.db2.gz KXRGAZDFDANMJI-XMMPIXPASA-N 2 1 380.532 3.638 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1)CC1CC1 ZINC001168423784 864979625 /nfs/dbraw/zinc/97/96/25/864979625.db2.gz QTILYOYSGIULLQ-UHFFFAOYSA-N 2 1 399.623 3.853 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1)CC1CC1 ZINC001168423784 864979631 /nfs/dbraw/zinc/97/96/31/864979631.db2.gz QTILYOYSGIULLQ-UHFFFAOYSA-N 3 1 399.623 3.853 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1)CC1CC1 ZINC001168423784 864979642 /nfs/dbraw/zinc/97/96/42/864979642.db2.gz QTILYOYSGIULLQ-UHFFFAOYSA-N 3 1 399.623 3.853 20 0 GHADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169138852 865063962 /nfs/dbraw/zinc/06/39/62/865063962.db2.gz JAQOGUZUFLRKQR-QFBILLFUSA-N 2 1 385.474 3.593 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000171477514 865262732 /nfs/dbraw/zinc/26/27/32/865262732.db2.gz LJKDENUTOVERSS-QHCPKHFHSA-N 2 1 379.548 3.503 20 0 GHADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)C1 ZINC000301386867 865329400 /nfs/dbraw/zinc/32/94/00/865329400.db2.gz CVXAOEWRZJGNCX-QGZVFWFLSA-N 2 1 380.517 3.606 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3cc[nH+]c4ccsc43)c2)C1 ZINC000301386867 865329416 /nfs/dbraw/zinc/32/94/16/865329416.db2.gz CVXAOEWRZJGNCX-QGZVFWFLSA-N 2 1 380.517 3.606 20 0 GHADMP c1cc2[nH+]ccc(N3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2s1 ZINC000301390263 865332044 /nfs/dbraw/zinc/33/20/44/865332044.db2.gz AFKJHSYCIOHUEZ-GOSISDBHSA-N 2 1 393.560 3.730 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c2c1 ZINC000301396236 865335023 /nfs/dbraw/zinc/33/50/23/865335023.db2.gz MPFIXSPPHOIMDG-HNNXBMFYSA-N 2 1 390.325 3.546 20 0 GHADMP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000738883176 865636257 /nfs/dbraw/zinc/63/62/57/865636257.db2.gz ZVDQKAHFGDFEFE-WMQCIHAUSA-N 2 1 380.960 3.729 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000555214482 865730369 /nfs/dbraw/zinc/73/03/69/865730369.db2.gz PYWLBWJVEJIGNJ-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481181883 865942620 /nfs/dbraw/zinc/94/26/20/865942620.db2.gz OEBFYMZGFRXXMA-MSYCTHLASA-N 2 1 397.538 3.845 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481181883 865942629 /nfs/dbraw/zinc/94/26/29/865942629.db2.gz OEBFYMZGFRXXMA-MSYCTHLASA-N 2 1 397.538 3.845 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481203140 865998882 /nfs/dbraw/zinc/99/88/82/865998882.db2.gz STSSVGSCWJVLBP-SKPFHBQLSA-N 2 1 393.575 3.926 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481203140 865998885 /nfs/dbraw/zinc/99/88/85/865998885.db2.gz STSSVGSCWJVLBP-SKPFHBQLSA-N 2 1 393.575 3.926 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068358 866102402 /nfs/dbraw/zinc/10/24/02/866102402.db2.gz XVKKMSORJOZZCS-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068358 866102409 /nfs/dbraw/zinc/10/24/09/866102409.db2.gz XVKKMSORJOZZCS-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068358 866102416 /nfs/dbraw/zinc/10/24/16/866102416.db2.gz XVKKMSORJOZZCS-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068358 866102421 /nfs/dbraw/zinc/10/24/21/866102421.db2.gz XVKKMSORJOZZCS-NPDDRXJXSA-N 2 1 380.536 3.680 20 0 GHADMP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534225138 866333735 /nfs/dbraw/zinc/33/37/35/866333735.db2.gz FKABCQNLMLVUSP-QHCPKHFHSA-N 2 1 391.559 3.804 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000428361137 866346761 /nfs/dbraw/zinc/34/67/61/866346761.db2.gz FRHWUQFDGFUJKP-LJQANCHMSA-N 2 1 398.595 3.592 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000552855216 866354434 /nfs/dbraw/zinc/35/44/34/866354434.db2.gz JDVYUGXFUWOEQT-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000476559273 881970713 /nfs/dbraw/zinc/97/07/13/881970713.db2.gz CNJVTBSLKWFGOI-YLJYHZDGSA-N 2 1 392.975 3.601 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000153470238 866498176 /nfs/dbraw/zinc/49/81/76/866498176.db2.gz MARXXVNIFZSZCM-UXHICEINSA-N 2 1 398.547 3.783 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000153470238 866498181 /nfs/dbraw/zinc/49/81/81/866498181.db2.gz MARXXVNIFZSZCM-UXHICEINSA-N 2 1 398.547 3.783 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2C(F)(F)F)c2cccs2)CC1 ZINC000620437313 866754073 /nfs/dbraw/zinc/75/40/73/866754073.db2.gz FVYLLBSIAMXYKD-KRWDZBQOSA-N 2 1 383.483 3.845 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc2c1OCCO2 ZINC000509450793 866756648 /nfs/dbraw/zinc/75/66/48/866756648.db2.gz SGCQAJXCHGAAJV-QFIPXVFZSA-N 2 1 396.531 3.857 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc2c1OCCO2 ZINC000509450793 866756658 /nfs/dbraw/zinc/75/66/58/866756658.db2.gz SGCQAJXCHGAAJV-QFIPXVFZSA-N 2 1 396.531 3.857 20 0 GHADMP COc1cccc2c1OC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000180124946 866778178 /nfs/dbraw/zinc/77/81/78/866778178.db2.gz IHUSDZAPGUBJDG-GEIYVISESA-N 2 1 378.516 3.784 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000478875368 866806509 /nfs/dbraw/zinc/80/65/09/866806509.db2.gz OSWYRDNFFPDJFI-VIZSFHNOSA-N 2 1 398.595 3.829 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000444569745 866898688 /nfs/dbraw/zinc/89/86/88/866898688.db2.gz GFURUXAJBMPZOT-BZSNNMDCSA-N 2 1 383.540 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000444598006 866920374 /nfs/dbraw/zinc/92/03/74/866920374.db2.gz NYNJPTBYEMJPIY-UZLBHIALSA-N 2 1 385.556 3.907 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCc4c(C)cccc43)CC2)CC1 ZINC000620674061 866930732 /nfs/dbraw/zinc/93/07/32/866930732.db2.gz RZMGOYXIDHJDCZ-QHCPKHFHSA-N 2 1 383.580 3.685 20 0 GHADMP OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1 ZINC000444604544 866937916 /nfs/dbraw/zinc/93/79/16/866937916.db2.gz BCLDRRMKWYSOGQ-RLAPIPATSA-N 2 1 378.507 3.741 20 0 GHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857146635 882051997 /nfs/dbraw/zinc/05/19/97/882051997.db2.gz ASZHRCASQOFAKN-HXUWFJFHSA-N 2 1 385.577 3.761 20 0 GHADMP COCC[NH+]1CCC([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000154842031 867625996 /nfs/dbraw/zinc/62/59/96/867625996.db2.gz RCGWKWQGHMFUGJ-UHFFFAOYSA-N 2 1 388.502 3.819 20 0 GHADMP C[C@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000479367255 867632353 /nfs/dbraw/zinc/63/23/53/867632353.db2.gz WQKUHUFFAARYNB-MGPUTAFESA-N 2 1 395.385 3.899 20 0 GHADMP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000479367253 867632638 /nfs/dbraw/zinc/63/26/38/867632638.db2.gz WQKUHUFFAARYNB-FOIQADDNSA-N 2 1 395.385 3.899 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479465752 867810509 /nfs/dbraw/zinc/81/05/09/867810509.db2.gz PLQSTKSFEBJEOD-RSEQLOHWSA-N 2 1 393.575 3.560 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4sccc43)c2)C1 ZINC000268961934 867863355 /nfs/dbraw/zinc/86/33/55/867863355.db2.gz XLLGXBHNGRYJFX-QUCCMNQESA-N 2 1 383.561 3.613 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168346563 882155435 /nfs/dbraw/zinc/15/54/35/882155435.db2.gz BGUDEWGRDDFFGT-SKINQDTJSA-N 2 1 377.960 3.508 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001168346563 882155439 /nfs/dbraw/zinc/15/54/39/882155439.db2.gz BGUDEWGRDDFFGT-SKINQDTJSA-N 2 1 377.960 3.508 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[NH+](C)C)cc1 ZINC000523902541 868252279 /nfs/dbraw/zinc/25/22/79/868252279.db2.gz NBHVXDAYPWAZIN-PTUXOGIPSA-N 2 1 394.563 3.732 20 0 GHADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857286783 882172434 /nfs/dbraw/zinc/17/24/34/882172434.db2.gz DZYMZGNANUZGQE-OAQYLSRUSA-N 2 1 385.577 3.761 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000553835931 868293519 /nfs/dbraw/zinc/29/35/19/868293519.db2.gz CFAFFNDQSJWLEU-LBPRGKRZSA-N 2 1 377.273 3.870 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC000553835931 868293538 /nfs/dbraw/zinc/29/35/38/868293538.db2.gz CFAFFNDQSJWLEU-LBPRGKRZSA-N 2 1 377.273 3.870 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc2c(c1)CCC2 ZINC000156905751 868497563 /nfs/dbraw/zinc/49/75/63/868497563.db2.gz PRZDRFJFDVAGGD-KOSHJBKYSA-N 2 1 391.559 3.723 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4cc(Cl)ccc43)c2)C1 ZINC000156953645 868512190 /nfs/dbraw/zinc/51/21/90/868512190.db2.gz RBDAEJVHPXUFRD-SIKLNZKXSA-N 2 1 397.950 3.814 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000621107736 868719884 /nfs/dbraw/zinc/71/98/84/868719884.db2.gz LQLJGCVLKBBUKF-CTNGQTDRSA-N 2 1 398.595 3.731 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000621107736 868719887 /nfs/dbraw/zinc/71/98/87/868719887.db2.gz LQLJGCVLKBBUKF-CTNGQTDRSA-N 2 1 398.595 3.731 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000479931203 868742683 /nfs/dbraw/zinc/74/26/83/868742683.db2.gz PDTDAIQOJNFHMU-IBGZPJMESA-N 2 1 376.504 3.555 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000554154650 868855032 /nfs/dbraw/zinc/85/50/32/868855032.db2.gz YTQYDWBHLNVFEO-NRFANRHFSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554157972 868860594 /nfs/dbraw/zinc/86/05/94/868860594.db2.gz QHPPEBCJAJVSRD-HJNYFJLDSA-N 2 1 398.595 3.555 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000480009688 868897530 /nfs/dbraw/zinc/89/75/30/868897530.db2.gz GFHFDWCQDWJUQE-FDDCHVKYSA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000480009688 868897544 /nfs/dbraw/zinc/89/75/44/868897544.db2.gz GFHFDWCQDWJUQE-FDDCHVKYSA-N 2 1 384.568 3.716 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCc1ccccc1F ZINC000524452981 869103741 /nfs/dbraw/zinc/10/37/41/869103741.db2.gz DQWBIDHPDBETOK-MOPGFXCFSA-N 2 1 397.538 3.995 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818348 869845938 /nfs/dbraw/zinc/84/59/38/869845938.db2.gz WSHKWKATMZNALW-ZBFHGGJFSA-N 2 1 397.357 3.915 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818348 869845950 /nfs/dbraw/zinc/84/59/50/869845950.db2.gz WSHKWKATMZNALW-ZBFHGGJFSA-N 2 1 397.357 3.915 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818348 869845962 /nfs/dbraw/zinc/84/59/62/869845962.db2.gz WSHKWKATMZNALW-ZBFHGGJFSA-N 2 1 397.357 3.915 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@H]1C ZINC000539818348 869845975 /nfs/dbraw/zinc/84/59/75/869845975.db2.gz WSHKWKATMZNALW-ZBFHGGJFSA-N 2 1 397.357 3.915 20 0 GHADMP Brc1ccc2c(c1)C=C(C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)CO2 ZINC000539818210 869846111 /nfs/dbraw/zinc/84/61/11/869846111.db2.gz KFTJYUKGVPMEKD-OAHLLOKOSA-N 2 1 377.326 3.643 20 0 GHADMP Brc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)CO2 ZINC000539818210 869846120 /nfs/dbraw/zinc/84/61/20/869846120.db2.gz KFTJYUKGVPMEKD-OAHLLOKOSA-N 2 1 377.326 3.643 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121949420 882347120 /nfs/dbraw/zinc/34/71/20/882347120.db2.gz YJBSYISGNOFPST-QGZVFWFLSA-N 2 1 383.540 3.805 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000446583686 870058466 /nfs/dbraw/zinc/05/84/66/870058466.db2.gz DUZLTFWBUTZHNF-UXHICEINSA-N 2 1 394.563 3.917 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000539967191 870124131 /nfs/dbraw/zinc/12/41/31/870124131.db2.gz DLCQQCMLDCBFGI-IEBWSBKVSA-N 2 1 381.358 3.653 20 0 GHADMP Fc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000462817831 870149492 /nfs/dbraw/zinc/14/94/92/870149492.db2.gz JOSAPEVATRYXEY-NRFANRHFSA-N 2 1 381.539 3.949 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000248064069 870277372 /nfs/dbraw/zinc/27/73/72/870277372.db2.gz ZDQAOTSNRFFZNX-CQOQZXRMSA-N 2 1 380.532 3.509 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c2ccccc21 ZINC000248118369 870289218 /nfs/dbraw/zinc/28/92/18/870289218.db2.gz MZTBXQHDFXNCNM-OFNKIYASSA-N 2 1 391.559 3.896 20 0 GHADMP C[N@H+](CCC(=O)NCC1CCCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043956 870289387 /nfs/dbraw/zinc/28/93/87/870289387.db2.gz NSFCMACXYXRKHY-UHFFFAOYSA-N 2 1 386.584 3.707 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC1CCCCC1 ZINC000540044810 870293092 /nfs/dbraw/zinc/29/30/92/870293092.db2.gz NQILTYFZWOQITI-UHFFFAOYSA-N 2 1 386.584 3.707 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248600610 870527783 /nfs/dbraw/zinc/52/77/83/870527783.db2.gz UZPZYRDLTLWIFA-VJANTYMQSA-N 2 1 387.568 3.504 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248600610 870527827 /nfs/dbraw/zinc/52/78/27/870527827.db2.gz UZPZYRDLTLWIFA-VJANTYMQSA-N 2 1 387.568 3.504 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000546783703 870617123 /nfs/dbraw/zinc/61/71/23/870617123.db2.gz NZGHWUSJKCPFHJ-LJQANCHMSA-N 2 1 376.907 3.867 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000248754408 870623677 /nfs/dbraw/zinc/62/36/77/870623677.db2.gz HWUOGQHFRKLSAH-GHTZIAJQSA-N 2 1 398.551 3.614 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000248754408 870623686 /nfs/dbraw/zinc/62/36/86/870623686.db2.gz HWUOGQHFRKLSAH-GHTZIAJQSA-N 2 1 398.551 3.614 20 0 GHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000446881587 870625284 /nfs/dbraw/zinc/62/52/84/870625284.db2.gz SPFJEJXHSVASOA-ZEQRLZLVSA-N 2 1 382.548 3.584 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000538797408 870625426 /nfs/dbraw/zinc/62/54/26/870625426.db2.gz DYDGQAJMMOXZNW-RZUBCFFCSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000538797408 870625436 /nfs/dbraw/zinc/62/54/36/870625436.db2.gz DYDGQAJMMOXZNW-RZUBCFFCSA-N 2 1 390.568 3.948 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000463007698 870654298 /nfs/dbraw/zinc/65/42/98/870654298.db2.gz GWBLBEHTHQCHFN-AUSIDOKSSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1)CC(C)C ZINC000540198346 870709339 /nfs/dbraw/zinc/70/93/39/870709339.db2.gz YVSJZUASJWORAC-LJQANCHMSA-N 2 1 391.604 3.871 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1)CC(C)C ZINC000540198346 870709345 /nfs/dbraw/zinc/70/93/45/870709345.db2.gz YVSJZUASJWORAC-LJQANCHMSA-N 2 1 391.604 3.871 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2c(C)cccc2C(C)C)[C@@H](C)C1 ZINC000249486953 870843787 /nfs/dbraw/zinc/84/37/87/870843787.db2.gz YLKDEEYYRDAPRI-FPOVZHCZSA-N 2 1 389.584 3.784 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168837112 870896279 /nfs/dbraw/zinc/89/62/79/870896279.db2.gz ZVBARQNLAMYMGE-QAPCUYQASA-N 2 1 393.959 3.988 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1)CC1CC1 ZINC000538947577 870955823 /nfs/dbraw/zinc/95/58/23/870955823.db2.gz ABHIIOHOPUONMS-GOSISDBHSA-N 2 1 389.559 3.837 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001193248536 870973811 /nfs/dbraw/zinc/97/38/11/870973811.db2.gz FFRXDZLSECXCBB-FCGDIQPGSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000463141109 870996121 /nfs/dbraw/zinc/99/61/21/870996121.db2.gz NAAONFSRJSRXDN-WOJBJXKFSA-N 2 1 375.576 3.790 20 0 GHADMP COc1ccc(CN2CC[C@H]([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)CC2=O)cc1 ZINC001168941018 871026240 /nfs/dbraw/zinc/02/62/40/871026240.db2.gz KKEHNGWHEQVAEF-YADHBBJMSA-N 2 1 399.579 3.527 20 0 GHADMP COCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461800286 871026412 /nfs/dbraw/zinc/02/64/12/871026412.db2.gz SKRFRTPBAUADLO-JOCHJYFZSA-N 2 1 399.604 3.548 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775591345 871043891 /nfs/dbraw/zinc/04/38/91/871043891.db2.gz OOGXDEJLPWLKAA-GOSISDBHSA-N 2 1 387.337 3.674 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000516198196 882476530 /nfs/dbraw/zinc/47/65/30/882476530.db2.gz JPIRNKCPYZUYIP-ACRUOGEOSA-N 2 1 385.577 3.547 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000516198196 882476539 /nfs/dbraw/zinc/47/65/39/882476539.db2.gz JPIRNKCPYZUYIP-ACRUOGEOSA-N 2 1 385.577 3.547 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCC[C@@H]1C ZINC001193413643 871097252 /nfs/dbraw/zinc/09/72/52/871097252.db2.gz PBBFDNGQVHMTKK-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCC[C@@H]1C ZINC001193413643 871097263 /nfs/dbraw/zinc/09/72/63/871097263.db2.gz PBBFDNGQVHMTKK-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCC[C@@H]1C ZINC001193413643 871097279 /nfs/dbraw/zinc/09/72/79/871097279.db2.gz PBBFDNGQVHMTKK-JTHBVZDNSA-N 2 1 385.596 3.930 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463188958 871130441 /nfs/dbraw/zinc/13/04/41/871130441.db2.gz GLKGMCRBQJVASB-UEVCKROQSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463188958 871130458 /nfs/dbraw/zinc/13/04/58/871130458.db2.gz GLKGMCRBQJVASB-UEVCKROQSA-N 2 1 383.580 3.810 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(N2CCOCC2)c1 ZINC000463203213 871178136 /nfs/dbraw/zinc/17/81/36/871178136.db2.gz DMEPPNVUQAUCKH-URXFXBBRSA-N 2 1 393.575 3.974 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169124540 871215102 /nfs/dbraw/zinc/21/51/02/871215102.db2.gz FBFFTOSWVTTXNW-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169124540 871215120 /nfs/dbraw/zinc/21/51/20/871215120.db2.gz FBFFTOSWVTTXNW-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C1)C2 ZINC001169124540 871215139 /nfs/dbraw/zinc/21/51/39/871215139.db2.gz FBFFTOSWVTTXNW-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCc3ccccc3N1C(=O)OC(C)(C)C)C2 ZINC001169111831 871240351 /nfs/dbraw/zinc/24/03/51/871240351.db2.gz QFMMGKKMMNNEQK-HAGHYFMRSA-N 2 1 385.552 3.958 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4OC)cc3)C2)CC1 ZINC000093133076 882493101 /nfs/dbraw/zinc/49/31/01/882493101.db2.gz KVPBLXRGFQCFOZ-JOCHJYFZSA-N 2 1 379.548 3.574 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463277510 871312594 /nfs/dbraw/zinc/31/25/94/871312594.db2.gz CQDDTYSMIFVXKJ-TWHAJKEOSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463277510 871312612 /nfs/dbraw/zinc/31/26/12/871312612.db2.gz CQDDTYSMIFVXKJ-TWHAJKEOSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463277308 871312874 /nfs/dbraw/zinc/31/28/74/871312874.db2.gz CQDDTYSMIFVXKJ-HGSOSGBHSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000463277308 871312894 /nfs/dbraw/zinc/31/28/94/871312894.db2.gz CQDDTYSMIFVXKJ-HGSOSGBHSA-N 2 1 382.552 3.766 20 0 GHADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC3CCOCC3)c(C(F)(F)F)c2)CC1 ZINC001169241218 871341119 /nfs/dbraw/zinc/34/11/19/871341119.db2.gz KHBGTSHFDNTSTM-UHFFFAOYSA-N 2 1 386.458 3.837 20 0 GHADMP COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(SC)cc1OC ZINC000092066201 871421073 /nfs/dbraw/zinc/42/10/73/871421073.db2.gz IGYIKBLWFNHEMQ-QAPCUYQASA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(SC)cc1OC ZINC000092066201 871421079 /nfs/dbraw/zinc/42/10/79/871421079.db2.gz IGYIKBLWFNHEMQ-QAPCUYQASA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(SC)cc1OC ZINC000092066201 871421081 /nfs/dbraw/zinc/42/10/81/871421081.db2.gz IGYIKBLWFNHEMQ-QAPCUYQASA-N 2 1 376.566 3.874 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000539149723 871432546 /nfs/dbraw/zinc/43/25/46/871432546.db2.gz UPAMZDBLRKRTGX-SFTDATJTSA-N 2 1 396.575 3.973 20 0 GHADMP Cc1cc(I)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc1C ZINC001205652327 871482765 /nfs/dbraw/zinc/48/27/65/871482765.db2.gz PGRBNOCGPKYJDE-DOMZBBRYSA-N 2 1 386.321 3.715 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169670116 871739510 /nfs/dbraw/zinc/73/95/10/871739510.db2.gz XJOQWTAOUSNJPK-NJDAHSKKSA-N 2 1 391.531 3.909 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@](F)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168351119 882549655 /nfs/dbraw/zinc/54/96/55/882549655.db2.gz FIKQRIKRLWBDTB-NRFANRHFSA-N 2 1 383.552 3.580 20 0 GHADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1NC(C)=O ZINC000447563102 871870999 /nfs/dbraw/zinc/87/09/99/871870999.db2.gz OETUJDVCFIDITO-KOUNCHBCSA-N 2 1 393.531 3.939 20 0 GHADMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1NC(C)=O ZINC000447563102 871871019 /nfs/dbraw/zinc/87/10/19/871871019.db2.gz OETUJDVCFIDITO-KOUNCHBCSA-N 2 1 393.531 3.939 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccccc3F)CC2)cc1 ZINC001194682820 871886882 /nfs/dbraw/zinc/88/68/82/871886882.db2.gz GTTYTKQUUKTNIX-UHFFFAOYSA-N 2 1 397.538 3.693 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccccc3F)CC2)cc1 ZINC001194682820 871886908 /nfs/dbraw/zinc/88/69/08/871886908.db2.gz GTTYTKQUUKTNIX-UHFFFAOYSA-N 2 1 397.538 3.693 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)c2cccs2)CC1 ZINC000552040290 871920257 /nfs/dbraw/zinc/92/02/57/871920257.db2.gz WERFABFWHDLQFQ-QUCCMNQESA-N 2 1 387.597 3.671 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC(=O)c2cccc(O)c2)CC1 ZINC000552044376 871927248 /nfs/dbraw/zinc/92/72/48/871927248.db2.gz ADVSZRUQEBTMKN-UHFFFAOYSA-N 2 1 395.547 3.545 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000122473245 882570811 /nfs/dbraw/zinc/57/08/11/882570811.db2.gz JUHQPGJRXWPYHY-VQIMIIECSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000122473245 882570817 /nfs/dbraw/zinc/57/08/17/882570817.db2.gz JUHQPGJRXWPYHY-VQIMIIECSA-N 2 1 381.524 3.558 20 0 GHADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169963714 872056975 /nfs/dbraw/zinc/05/69/75/872056975.db2.gz YZWASYUGAMAJOG-IBGZPJMESA-N 2 1 398.469 3.945 20 0 GHADMP Fc1ccc(CC[NH+]2CCC(NC3(c4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000540751103 872057182 /nfs/dbraw/zinc/05/71/82/872057182.db2.gz XOKFRSIAJNRTGE-UHFFFAOYSA-N 2 1 382.479 3.840 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1F ZINC000775621822 872060409 /nfs/dbraw/zinc/06/04/09/872060409.db2.gz MRYWBQIZHIHGEO-QZTJIDSGSA-N 2 1 388.487 3.855 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000163053062 872061422 /nfs/dbraw/zinc/06/14/22/872061422.db2.gz PCDSYTJWMGKMFO-IBGZPJMESA-N 2 1 399.539 3.530 20 0 GHADMP CCC[N@H+](Cc1ccccc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417523 872166357 /nfs/dbraw/zinc/16/63/57/872166357.db2.gz UEECOQXWRJIUCU-UHFFFAOYSA-N 2 1 396.535 3.761 20 0 GHADMP CCC[N@@H+](Cc1ccccc1C(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417523 872166376 /nfs/dbraw/zinc/16/63/76/872166376.db2.gz UEECOQXWRJIUCU-UHFFFAOYSA-N 2 1 396.535 3.761 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030924 872382801 /nfs/dbraw/zinc/38/28/01/872382801.db2.gz YKZZFQJSEFDODS-PMACEKPBSA-N 2 1 379.548 3.819 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030924 872382821 /nfs/dbraw/zinc/38/28/21/872382821.db2.gz YKZZFQJSEFDODS-PMACEKPBSA-N 2 1 379.548 3.819 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030924 872382839 /nfs/dbraw/zinc/38/28/39/872382839.db2.gz YKZZFQJSEFDODS-PMACEKPBSA-N 2 1 379.548 3.819 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000552357667 872549377 /nfs/dbraw/zinc/54/93/77/872549377.db2.gz LYQPIPSBBCHMQI-IBGZPJMESA-N 2 1 378.442 3.809 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000552357667 872549387 /nfs/dbraw/zinc/54/93/87/872549387.db2.gz LYQPIPSBBCHMQI-IBGZPJMESA-N 2 1 378.442 3.809 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000552357667 872549400 /nfs/dbraw/zinc/54/94/00/872549400.db2.gz LYQPIPSBBCHMQI-IBGZPJMESA-N 2 1 378.442 3.809 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000619363360 872576847 /nfs/dbraw/zinc/57/68/47/872576847.db2.gz ZWXZHEYTJNGAJO-ZHALLVOQSA-N 2 1 380.602 3.551 20 0 GHADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000540973775 872625827 /nfs/dbraw/zinc/62/58/27/872625827.db2.gz DJSVAUZRGUKVFQ-MDNUFGMLSA-N 2 1 381.564 3.530 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CN2C[C@@H](c3ccccc3F)CC2=O)CC1 ZINC000182686580 872677022 /nfs/dbraw/zinc/67/70/22/872677022.db2.gz OANRRYYHIUSTNB-IBGZPJMESA-N 2 1 375.532 3.543 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@@H](c3ccccc3F)CC2=O)CC1 ZINC000182686580 872677033 /nfs/dbraw/zinc/67/70/33/872677033.db2.gz OANRRYYHIUSTNB-IBGZPJMESA-N 2 1 375.532 3.543 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001195892674 872716808 /nfs/dbraw/zinc/71/68/08/872716808.db2.gz IWHUXIAWVUCBKH-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001195892674 872716812 /nfs/dbraw/zinc/71/68/12/872716812.db2.gz IWHUXIAWVUCBKH-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)CC1 ZINC001195892674 872716823 /nfs/dbraw/zinc/71/68/23/872716823.db2.gz IWHUXIAWVUCBKH-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(F)c(OC)c3)cc2)CC1 ZINC000152975627 873031197 /nfs/dbraw/zinc/03/11/97/873031197.db2.gz AFECUDHWLPIQSO-SFHVURJKSA-N 2 1 385.527 3.823 20 0 GHADMP C[NH+](C)CCN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CCCC1 ZINC000152992326 873060490 /nfs/dbraw/zinc/06/04/90/873060490.db2.gz VYPDBMBOOZOKGQ-UHFFFAOYSA-N 2 1 390.597 3.574 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000508607125 873084033 /nfs/dbraw/zinc/08/40/33/873084033.db2.gz XGOVVVLFYKNMTM-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP C[C@@H](Cc1ccsc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000541226160 873189732 /nfs/dbraw/zinc/18/97/32/873189732.db2.gz XVEIAWWQGOXMRK-IBGZPJMESA-N 2 1 399.604 3.639 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000527514680 873235508 /nfs/dbraw/zinc/23/55/08/873235508.db2.gz LADYFLHXAMNQBE-YLZJTPGZSA-N 2 1 381.524 3.558 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000122778108 882705038 /nfs/dbraw/zinc/70/50/38/882705038.db2.gz MYWCDJWKHBUNJS-QGZVFWFLSA-N 2 1 384.520 3.811 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc(OC)c1OC ZINC000122778108 882705051 /nfs/dbraw/zinc/70/50/51/882705051.db2.gz MYWCDJWKHBUNJS-QGZVFWFLSA-N 2 1 384.520 3.811 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)c(F)c1 ZINC000768512613 873347520 /nfs/dbraw/zinc/34/75/20/873347520.db2.gz SANCYWPBZNFTCY-CJNGLKHVSA-N 2 1 385.321 3.882 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000448420842 873355113 /nfs/dbraw/zinc/35/51/13/873355113.db2.gz HTBLAPIOFOFQME-LEWJYISDSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000448420842 873355122 /nfs/dbraw/zinc/35/51/22/873355122.db2.gz HTBLAPIOFOFQME-LEWJYISDSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000448420842 873355137 /nfs/dbraw/zinc/35/51/37/873355137.db2.gz HTBLAPIOFOFQME-LEWJYISDSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527787908 873575233 /nfs/dbraw/zinc/57/52/33/873575233.db2.gz SXCGFKQTMMWRFD-FQEVSTJZSA-N 2 1 377.960 3.636 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527787908 873575240 /nfs/dbraw/zinc/57/52/40/873575240.db2.gz SXCGFKQTMMWRFD-FQEVSTJZSA-N 2 1 377.960 3.636 20 0 GHADMP CC[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000527855455 873673676 /nfs/dbraw/zinc/67/36/76/873673676.db2.gz XXVQMKAUQBXFMO-QHCPKHFHSA-N 2 1 379.548 3.575 20 0 GHADMP c1coc([C@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c1 ZINC000541545423 873804494 /nfs/dbraw/zinc/80/44/94/873804494.db2.gz FKAAUSMGEKSZMJ-HSZRJFAPSA-N 2 1 376.504 3.566 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000527933542 873808148 /nfs/dbraw/zinc/80/81/48/873808148.db2.gz OWQSAOWZSZETQA-VQIMIIECSA-N 2 1 380.458 3.672 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000134170940 882767406 /nfs/dbraw/zinc/76/74/06/882767406.db2.gz KMBIRVJNGAMRNJ-UHFFFAOYSA-N 2 1 386.540 3.901 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1C ZINC000769215095 873896541 /nfs/dbraw/zinc/89/65/41/873896541.db2.gz ZHDUOWRVEWCUAN-QZTJIDSGSA-N 2 1 376.541 3.825 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1C ZINC000769215095 873896556 /nfs/dbraw/zinc/89/65/56/873896556.db2.gz ZHDUOWRVEWCUAN-QZTJIDSGSA-N 2 1 376.541 3.825 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1C ZINC000769215095 873896566 /nfs/dbraw/zinc/89/65/66/873896566.db2.gz ZHDUOWRVEWCUAN-QZTJIDSGSA-N 2 1 376.541 3.825 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1C ZINC000769215095 873896589 /nfs/dbraw/zinc/89/65/89/873896589.db2.gz ZHDUOWRVEWCUAN-QZTJIDSGSA-N 2 1 376.541 3.825 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601533 873921621 /nfs/dbraw/zinc/92/16/21/873921621.db2.gz GTZNSIQJWGVDKT-SELNLUPBSA-N 2 1 397.607 3.985 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601533 873921631 /nfs/dbraw/zinc/92/16/31/873921631.db2.gz GTZNSIQJWGVDKT-SELNLUPBSA-N 2 1 397.607 3.985 20 0 GHADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000744414020 874017198 /nfs/dbraw/zinc/01/71/98/874017198.db2.gz CQMWCJVNGOOENM-DENIHFKCSA-N 2 1 386.584 3.668 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000528149919 874089604 /nfs/dbraw/zinc/08/96/04/874089604.db2.gz NWQPKJCICFGJJW-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528149919 874089618 /nfs/dbraw/zinc/08/96/18/874089618.db2.gz NWQPKJCICFGJJW-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528149919 874089629 /nfs/dbraw/zinc/08/96/29/874089629.db2.gz NWQPKJCICFGJJW-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000769497814 874104387 /nfs/dbraw/zinc/10/43/87/874104387.db2.gz BWZWEIFWQFBLHW-HXUWFJFHSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769513598 874121161 /nfs/dbraw/zinc/12/11/61/874121161.db2.gz CPAASLLCPASBES-FQEVSTJZSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449047054 874414970 /nfs/dbraw/zinc/41/49/70/874414970.db2.gz MQCMIMCHCMWRER-ZMYBRWDISA-N 2 1 375.513 3.633 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449047054 874414976 /nfs/dbraw/zinc/41/49/76/874414976.db2.gz MQCMIMCHCMWRER-ZMYBRWDISA-N 2 1 375.513 3.633 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528373570 874470985 /nfs/dbraw/zinc/47/09/85/874470985.db2.gz TZEWGCZTJGASLG-IBGZPJMESA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528373570 874470991 /nfs/dbraw/zinc/47/09/91/874470991.db2.gz TZEWGCZTJGASLG-IBGZPJMESA-N 2 1 381.923 3.637 20 0 GHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449100555 874472562 /nfs/dbraw/zinc/47/25/62/874472562.db2.gz BWHIAWBGGSCZBB-YPAWHYETSA-N 2 1 387.612 3.561 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000464778489 874476359 /nfs/dbraw/zinc/47/63/59/874476359.db2.gz QJCBKPKFTQNXKX-REWPJTCUSA-N 2 1 382.548 3.757 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000464778489 874476364 /nfs/dbraw/zinc/47/63/64/874476364.db2.gz QJCBKPKFTQNXKX-REWPJTCUSA-N 2 1 382.548 3.757 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464782592 874486938 /nfs/dbraw/zinc/48/69/38/874486938.db2.gz YLEYTVBWWPNWJT-FPOVZHCZSA-N 2 1 376.585 3.696 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464782592 874486948 /nfs/dbraw/zinc/48/69/48/874486948.db2.gz YLEYTVBWWPNWJT-FPOVZHCZSA-N 2 1 376.585 3.696 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000541917432 874561952 /nfs/dbraw/zinc/56/19/52/874561952.db2.gz OKTCRSZFQPUYAQ-OPXMRZJTSA-N 2 1 394.559 3.901 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000541917433 874562325 /nfs/dbraw/zinc/56/23/25/874562325.db2.gz OKTCRSZFQPUYAQ-YNJKOYDBSA-N 2 1 394.559 3.901 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449186572 874578343 /nfs/dbraw/zinc/57/83/43/874578343.db2.gz KSLQAHKLJBNMLS-VQTJNVASSA-N 2 1 389.540 3.807 20 0 GHADMP C[N@@H+](CCC(=O)NCc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464843355 874619268 /nfs/dbraw/zinc/61/92/68/874619268.db2.gz TZSZXPSXBDFNNA-FQEVSTJZSA-N 2 1 399.966 3.800 20 0 GHADMP C[NH+](CCC(=O)NCc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464843355 874619277 /nfs/dbraw/zinc/61/92/77/874619277.db2.gz TZSZXPSXBDFNNA-FQEVSTJZSA-N 2 1 399.966 3.800 20 0 GHADMP C[NH+](CCC(=O)NCc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464843355 874619286 /nfs/dbraw/zinc/61/92/86/874619286.db2.gz TZSZXPSXBDFNNA-FQEVSTJZSA-N 2 1 399.966 3.800 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1C[NH+]1CCC[C@@H]2COCC[C@H]21 ZINC000464848753 874634226 /nfs/dbraw/zinc/63/42/26/874634226.db2.gz AZXJLYHUNWGJTA-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc1C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464848753 874634233 /nfs/dbraw/zinc/63/42/33/874634233.db2.gz AZXJLYHUNWGJTA-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc1C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464848753 874634238 /nfs/dbraw/zinc/63/42/38/874634238.db2.gz AZXJLYHUNWGJTA-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CCCO1 ZINC000449284168 874668769 /nfs/dbraw/zinc/66/87/69/874668769.db2.gz OEANBTMZGJMEKG-HPUBIQBYSA-N 2 1 399.348 3.925 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CCCO1 ZINC000449284168 874668781 /nfs/dbraw/zinc/66/87/81/874668781.db2.gz OEANBTMZGJMEKG-HPUBIQBYSA-N 2 1 399.348 3.925 20 0 GHADMP CNC(=O)C[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449299741 874686934 /nfs/dbraw/zinc/68/69/34/874686934.db2.gz MVDOJBRILGKEAR-AUSIDOKSSA-N 2 1 379.548 3.549 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCOC4(CCC4)C3)C3(C2)CCOCC3)cc1 ZINC000449346116 874739552 /nfs/dbraw/zinc/73/95/52/874739552.db2.gz YJUJDFRLTVYXMP-VXKWHMMOSA-N 2 1 384.564 3.607 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1OC(F)F ZINC001199198188 874848178 /nfs/dbraw/zinc/84/81/78/874848178.db2.gz NDABBQZITHDKDY-GFCCVEGCSA-N 2 1 389.284 3.933 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1OC(F)F ZINC001199198188 874848192 /nfs/dbraw/zinc/84/81/92/874848192.db2.gz NDABBQZITHDKDY-GFCCVEGCSA-N 2 1 389.284 3.933 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)c2c[nH+]ccc2N2CCCC2)CC1 ZINC001199369522 874949487 /nfs/dbraw/zinc/94/94/87/874949487.db2.gz LBNVZSIQQMIUBJ-UHFFFAOYSA-N 2 1 396.510 3.558 20 0 GHADMP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001199600109 875070241 /nfs/dbraw/zinc/07/02/41/875070241.db2.gz RSLSXMOXVHXCBC-ZEQRLZLVSA-N 2 1 377.576 3.946 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528802603 875077348 /nfs/dbraw/zinc/07/73/48/875077348.db2.gz WWIRKNVJMWWERH-LEWJYISDSA-N 2 1 389.609 3.506 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001199678065 875118588 /nfs/dbraw/zinc/11/85/88/875118588.db2.gz JGYRNAVVNYWUSY-XHSDSOJGSA-N 2 1 397.510 3.526 20 0 GHADMP O=C(C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1)C(F)(F)F ZINC000776010110 875122265 /nfs/dbraw/zinc/12/22/65/875122265.db2.gz YJJKJGNSZLSHJQ-UHFFFAOYSA-N 2 1 384.442 3.505 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542177688 875124052 /nfs/dbraw/zinc/12/40/52/875124052.db2.gz UQXHFRNGOLODLB-TZIWHRDSSA-N 2 1 395.950 3.992 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000449672913 875245664 /nfs/dbraw/zinc/24/56/64/875245664.db2.gz YEUPXZYCIXZTFQ-QIJUGHKUSA-N 2 1 375.520 3.579 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000449672913 875245679 /nfs/dbraw/zinc/24/56/79/875245679.db2.gz YEUPXZYCIXZTFQ-QIJUGHKUSA-N 2 1 375.520 3.579 20 0 GHADMP Fc1cccc(-n2cccn2)c1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000449688680 875264353 /nfs/dbraw/zinc/26/43/53/875264353.db2.gz HKDZOHMEYWUTNC-UHFFFAOYSA-N 2 1 378.495 3.808 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000105442852 875297542 /nfs/dbraw/zinc/29/75/42/875297542.db2.gz JJOGAEFGWHPQJX-CYBMUJFWSA-N 2 1 376.298 3.656 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCC1 ZINC000542380118 875452475 /nfs/dbraw/zinc/45/24/75/875452475.db2.gz ZGGVJYCXGGNROK-QFBILLFUSA-N 2 1 380.964 3.506 20 0 GHADMP Cc1cc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c2c(n1)CCCC2 ZINC001201209196 875562679 /nfs/dbraw/zinc/56/26/79/875562679.db2.gz HNJIVRNRMMVVQK-IBGZPJMESA-N 2 1 392.547 3.578 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000303540340 875769781 /nfs/dbraw/zinc/76/97/81/875769781.db2.gz FZQZLLWHZYRFCS-LJQANCHMSA-N 2 1 392.613 3.524 20 0 GHADMP c1nnn(Cc2ccccc2)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000491597624 875831583 /nfs/dbraw/zinc/83/15/83/875831583.db2.gz XMFVDBZRPFHVRA-HSZRJFAPSA-N 2 1 389.547 3.718 20 0 GHADMP c1nnn(Cc2ccccc2)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000491597624 875831596 /nfs/dbraw/zinc/83/15/96/875831596.db2.gz XMFVDBZRPFHVRA-HSZRJFAPSA-N 2 1 389.547 3.718 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000772340972 875900522 /nfs/dbraw/zinc/90/05/22/875900522.db2.gz AFWHKLOEXJWPQW-NRSPTQNISA-N 2 1 390.568 3.541 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000772340972 875900536 /nfs/dbraw/zinc/90/05/36/875900536.db2.gz AFWHKLOEXJWPQW-NRSPTQNISA-N 2 1 390.568 3.541 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2ccccc2Br)CC1 ZINC000192727320 882998674 /nfs/dbraw/zinc/99/86/74/882998674.db2.gz SSLLDAUDGYBSRT-QGZVFWFLSA-N 2 1 382.390 3.858 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000529466966 876195445 /nfs/dbraw/zinc/19/54/45/876195445.db2.gz KDSJLQSSVOVHFL-ZJSXRUAMSA-N 2 1 397.607 3.914 20 0 GHADMP CCSCC[C@H](C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000174038354 876790903 /nfs/dbraw/zinc/79/09/03/876790903.db2.gz DWXHCJBKQUHLLB-IBGZPJMESA-N 2 1 391.625 3.539 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000492464110 876872628 /nfs/dbraw/zinc/87/26/28/876872628.db2.gz KGLXJJLNFYYMNQ-ICSRJNTNSA-N 2 1 381.520 3.524 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000492464110 876872639 /nfs/dbraw/zinc/87/26/39/876872639.db2.gz KGLXJJLNFYYMNQ-ICSRJNTNSA-N 2 1 381.520 3.524 20 0 GHADMP CCc1ccc2[nH+]ccc(N3CCC[C@@H](C[N@H+]4CCCN(C(C)=O)CC4)C3)c2c1 ZINC000450775561 876910963 /nfs/dbraw/zinc/91/09/63/876910963.db2.gz PUAJCIDLXBQRQX-NRFANRHFSA-N 2 1 394.563 3.568 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000850467858 876947348 /nfs/dbraw/zinc/94/73/48/876947348.db2.gz VXVIHIYODISYKQ-CBNMVNINSA-N 2 1 387.568 3.934 20 0 GHADMP CCOC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000850467858 876947358 /nfs/dbraw/zinc/94/73/58/876947358.db2.gz VXVIHIYODISYKQ-CBNMVNINSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(N2CCNC2=O)cc1 ZINC000786835318 876952896 /nfs/dbraw/zinc/95/28/96/876952896.db2.gz IPFGXEFDPHEXHN-RBUKOAKNSA-N 2 1 380.536 3.777 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000390932290 877012081 /nfs/dbraw/zinc/01/20/81/877012081.db2.gz LGJLPKLGFNVISR-FPOVZHCZSA-N 2 1 388.577 3.516 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000390932290 877012096 /nfs/dbraw/zinc/01/20/96/877012096.db2.gz LGJLPKLGFNVISR-FPOVZHCZSA-N 2 1 388.577 3.516 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000850558951 877025955 /nfs/dbraw/zinc/02/59/55/877025955.db2.gz YCFJDUFKTILCEQ-MDASCCDHSA-N 2 1 389.367 3.753 20 0 GHADMP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850573135 877038447 /nfs/dbraw/zinc/03/84/47/877038447.db2.gz JJIVMLUNRVHMHG-HKBOAZHASA-N 2 1 380.960 3.631 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OCc2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000786967308 877055457 /nfs/dbraw/zinc/05/54/57/877055457.db2.gz UVXKWGOGBZMJNU-VJBMBRPKSA-N 2 1 380.532 3.834 20 0 GHADMP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134905657 883100275 /nfs/dbraw/zinc/10/02/75/883100275.db2.gz YMFODKNILRUSBT-VQIMIIECSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134905657 883100287 /nfs/dbraw/zinc/10/02/87/883100287.db2.gz YMFODKNILRUSBT-VQIMIIECSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134905657 883100300 /nfs/dbraw/zinc/10/03/00/883100300.db2.gz YMFODKNILRUSBT-VQIMIIECSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134905657 883100304 /nfs/dbraw/zinc/10/03/04/883100304.db2.gz YMFODKNILRUSBT-VQIMIIECSA-N 2 1 386.927 3.881 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)s1 ZINC000517103331 877209355 /nfs/dbraw/zinc/20/93/55/877209355.db2.gz YNFMDGOTIFPMIL-FKBYEOEOSA-N 2 1 399.604 3.855 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)s1 ZINC000517103331 877209364 /nfs/dbraw/zinc/20/93/64/877209364.db2.gz YNFMDGOTIFPMIL-FKBYEOEOSA-N 2 1 399.604 3.855 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729600317 883116820 /nfs/dbraw/zinc/11/68/20/883116820.db2.gz QJEDKRWDFNUZPS-WMZHIEFXSA-N 2 1 394.563 3.725 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080106814 877456176 /nfs/dbraw/zinc/45/61/76/877456176.db2.gz JNQGYXHRLDSLHC-DENIHFKCSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080106819 877456497 /nfs/dbraw/zinc/45/64/97/877456497.db2.gz JNQGYXHRLDSLHC-KNQAVFIVSA-N 2 1 386.584 3.603 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000642638110 912238468 /nfs/dbraw/zinc/23/84/68/912238468.db2.gz GIDIZPDMSBVTMT-GOTSBHOMSA-N 2 1 394.563 3.643 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642642326 912241219 /nfs/dbraw/zinc/24/12/19/912241219.db2.gz WJVWOKCSRJEUPW-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCc1cccs1 ZINC000615315447 877631816 /nfs/dbraw/zinc/63/18/16/877631816.db2.gz DXEADZDWDJDFNR-MSOLQXFVSA-N 2 1 385.577 3.917 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]2[C@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000551723191 877713796 /nfs/dbraw/zinc/71/37/96/877713796.db2.gz WJCMBXDCEPAAOZ-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000551723191 877713801 /nfs/dbraw/zinc/71/38/01/877713801.db2.gz WJCMBXDCEPAAOZ-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000551723191 877713810 /nfs/dbraw/zinc/71/38/10/877713810.db2.gz WJCMBXDCEPAAOZ-YCAMKHIRSA-N 2 1 384.564 3.973 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCC[C@H]1C ZINC000615672174 877999489 /nfs/dbraw/zinc/99/94/89/877999489.db2.gz MOPFFCRVRBJFHX-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000615672174 877999494 /nfs/dbraw/zinc/99/94/94/877999494.db2.gz MOPFFCRVRBJFHX-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000615672174 877999505 /nfs/dbraw/zinc/99/95/05/877999505.db2.gz MOPFFCRVRBJFHX-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc(C[NH+](C)C)c3)C2)s1 ZINC000552003311 878142374 /nfs/dbraw/zinc/14/23/74/878142374.db2.gz YCQZIYFOCAFWKY-IBGZPJMESA-N 2 1 385.577 3.712 20 0 GHADMP COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000788756283 878291147 /nfs/dbraw/zinc/29/11/47/878291147.db2.gz VVHMNPIISOFBEW-JSFXGIFRSA-N 2 1 387.568 3.886 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245654216 878294185 /nfs/dbraw/zinc/29/41/85/878294185.db2.gz DEGKCDHCQHRCJR-JTOYRKQZSA-N 2 1 380.532 3.904 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccc(Cl)cc1 ZINC000451655700 878302065 /nfs/dbraw/zinc/30/20/65/878302065.db2.gz ZACLZNJLYWXFAI-FQEVSTJZSA-N 2 1 397.910 3.734 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccc(Cl)cc1 ZINC000451655700 878302086 /nfs/dbraw/zinc/30/20/86/878302086.db2.gz ZACLZNJLYWXFAI-FQEVSTJZSA-N 2 1 397.910 3.734 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1cccs1 ZINC000245667305 878319849 /nfs/dbraw/zinc/31/98/49/878319849.db2.gz DXJBQKJOMBOXFJ-XLIONFOSSA-N 2 1 392.613 3.743 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CCN(Cc3ccn(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000530701676 878343568 /nfs/dbraw/zinc/34/35/68/878343568.db2.gz QIPQIQUPGIWOSN-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000530701676 878343584 /nfs/dbraw/zinc/34/35/84/878343584.db2.gz QIPQIQUPGIWOSN-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000530701676 878343601 /nfs/dbraw/zinc/34/36/01/878343601.db2.gz QIPQIQUPGIWOSN-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000245677786 878345922 /nfs/dbraw/zinc/34/59/22/878345922.db2.gz GBUKGWSOXQSDSC-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC000852598847 878453587 /nfs/dbraw/zinc/45/35/87/878453587.db2.gz XCCGKHREFSMLFZ-IEBWSBKVSA-N 2 1 378.561 3.987 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC000852598847 878453593 /nfs/dbraw/zinc/45/35/93/878453593.db2.gz XCCGKHREFSMLFZ-IEBWSBKVSA-N 2 1 378.561 3.987 20 0 GHADMP C[NH+](C)CCOc1ccccc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245721839 878470522 /nfs/dbraw/zinc/47/05/22/878470522.db2.gz OWZCFHJYISOMKO-BKFWDETESA-N 2 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245721839 878470530 /nfs/dbraw/zinc/47/05/30/878470530.db2.gz OWZCFHJYISOMKO-BKFWDETESA-N 3 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245721839 878470540 /nfs/dbraw/zinc/47/05/40/878470540.db2.gz OWZCFHJYISOMKO-BKFWDETESA-N 3 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245729273 878491471 /nfs/dbraw/zinc/49/14/71/878491471.db2.gz PXCUIXWBBOQKIS-BKFWDETESA-N 3 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245729273 878491475 /nfs/dbraw/zinc/49/14/75/878491475.db2.gz PXCUIXWBBOQKIS-BKFWDETESA-N 2 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245729273 878491492 /nfs/dbraw/zinc/49/14/92/878491492.db2.gz PXCUIXWBBOQKIS-BKFWDETESA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000537953420 878578957 /nfs/dbraw/zinc/57/89/57/878578957.db2.gz SPJRUDXYLACACV-APWZRJJASA-N 2 1 393.453 3.979 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000537975195 878610473 /nfs/dbraw/zinc/61/04/73/878610473.db2.gz FLWXCZPXIWVNAN-JTHBVZDNSA-N 2 1 385.596 3.522 20 0 GHADMP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)s2)cn1 ZINC000509473698 878620719 /nfs/dbraw/zinc/62/07/19/878620719.db2.gz XDKHMAFMVASVNF-LJQANCHMSA-N 2 1 380.561 3.803 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000538046852 878756453 /nfs/dbraw/zinc/75/64/53/878756453.db2.gz FIHGZHJNLOASGJ-BGYRXZFFSA-N 2 1 382.548 3.930 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000538046852 878756469 /nfs/dbraw/zinc/75/64/69/878756469.db2.gz FIHGZHJNLOASGJ-BGYRXZFFSA-N 2 1 382.548 3.930 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127596061 878810994 /nfs/dbraw/zinc/81/09/94/878810994.db2.gz CZJVKRDCQVIJJN-UCNVEGJOSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127596061 878811004 /nfs/dbraw/zinc/81/10/04/878811004.db2.gz CZJVKRDCQVIJJN-UCNVEGJOSA-N 2 1 399.966 3.970 20 0 GHADMP COCC[N@@H+](Cc1csc(-c2ccc(F)cc2)n1)CC1CC[NH+](C)CC1 ZINC001183256770 912389025 /nfs/dbraw/zinc/38/90/25/912389025.db2.gz QVSVVNLVFUEKFK-UHFFFAOYSA-N 2 1 377.529 3.739 20 0 GHADMP COCC[N@H+](Cc1csc(-c2ccc(F)cc2)n1)CC1CC[NH+](C)CC1 ZINC001183256770 912389047 /nfs/dbraw/zinc/38/90/47/912389047.db2.gz QVSVVNLVFUEKFK-UHFFFAOYSA-N 2 1 377.529 3.739 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000285708701 912399387 /nfs/dbraw/zinc/39/93/87/912399387.db2.gz ORLCWKFIPBQKMG-XMMPIXPASA-N 2 1 392.547 3.878 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000531047566 879010202 /nfs/dbraw/zinc/01/02/02/879010202.db2.gz BCDADQZGRDFZIZ-CRAIPNDOSA-N 2 1 385.474 3.546 20 0 GHADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]C3CCN(CC4CC4)CC3)cc2)C[C@@H]1C ZINC000538197191 879018609 /nfs/dbraw/zinc/01/86/09/879018609.db2.gz KTROTKGUTTXCAS-SFTDATJTSA-N 2 1 399.623 3.660 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000246133264 879034100 /nfs/dbraw/zinc/03/41/00/879034100.db2.gz JAKRRYWGTMEJMM-WSTZPKSXSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246133264 879034111 /nfs/dbraw/zinc/03/41/11/879034111.db2.gz JAKRRYWGTMEJMM-WSTZPKSXSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246133264 879034126 /nfs/dbraw/zinc/03/41/26/879034126.db2.gz JAKRRYWGTMEJMM-WSTZPKSXSA-N 2 1 392.613 3.695 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H]3CC[NH2+][C@H]3C2)n1 ZINC000643031723 912418853 /nfs/dbraw/zinc/41/88/53/912418853.db2.gz WORPNBNLEDVNIR-WMZOPIPTSA-N 2 1 393.560 3.608 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1)CC1CC1 ZINC000542467741 879483807 /nfs/dbraw/zinc/48/38/07/879483807.db2.gz SRLQWVLBJGCKFP-UHFFFAOYSA-N 3 1 381.568 3.910 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2cn(-c3ccncc3)nc2C)CC1)CC1CC1 ZINC000542467741 879483811 /nfs/dbraw/zinc/48/38/11/879483811.db2.gz SRLQWVLBJGCKFP-UHFFFAOYSA-N 2 1 381.568 3.910 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(-c3ccncc3)nc2C)CC1)CC1CC1 ZINC000542467741 879483816 /nfs/dbraw/zinc/48/38/16/879483816.db2.gz SRLQWVLBJGCKFP-UHFFFAOYSA-N 2 1 381.568 3.910 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000246415302 879541135 /nfs/dbraw/zinc/54/11/35/879541135.db2.gz SFVZJUVCLULCEK-LXZJYRNTSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246415302 879541139 /nfs/dbraw/zinc/54/11/39/879541139.db2.gz SFVZJUVCLULCEK-LXZJYRNTSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246415302 879541147 /nfs/dbraw/zinc/54/11/47/879541147.db2.gz SFVZJUVCLULCEK-LXZJYRNTSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000246468418 879589351 /nfs/dbraw/zinc/58/93/51/879589351.db2.gz KERSLFAGTBXYJI-ADHNFCLRSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000246468418 879589361 /nfs/dbraw/zinc/58/93/61/879589361.db2.gz KERSLFAGTBXYJI-ADHNFCLRSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000246468418 879589365 /nfs/dbraw/zinc/58/93/65/879589365.db2.gz KERSLFAGTBXYJI-ADHNFCLRSA-N 2 1 398.595 3.696 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000246489129 879616190 /nfs/dbraw/zinc/61/61/90/879616190.db2.gz RLOYLQARMMUYQB-ILWGZMRPSA-N 2 1 386.584 3.504 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)C[C@H](C)O1 ZINC000493737869 879626328 /nfs/dbraw/zinc/62/63/28/879626328.db2.gz OCRALWBUKYDFAB-HLSZOSTASA-N 2 1 384.564 3.733 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378325 879691076 /nfs/dbraw/zinc/69/10/76/879691076.db2.gz BFCKNAXZCMUBCE-HSALFYBXSA-N 2 1 379.548 3.960 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378325 879691097 /nfs/dbraw/zinc/69/10/97/879691097.db2.gz BFCKNAXZCMUBCE-HSALFYBXSA-N 2 1 379.548 3.960 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@H]1C ZINC000531378325 879691112 /nfs/dbraw/zinc/69/11/12/879691112.db2.gz BFCKNAXZCMUBCE-HSALFYBXSA-N 2 1 379.548 3.960 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000246586297 879701748 /nfs/dbraw/zinc/70/17/48/879701748.db2.gz ZSUPSBMCXCBRCO-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC[C@H]21 ZINC000246959671 879864515 /nfs/dbraw/zinc/86/45/15/879864515.db2.gz OCSYCLAQOCZQBF-XZOQPEGZSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1cccc2ccccc21 ZINC000246964510 879866750 /nfs/dbraw/zinc/86/67/50/879866750.db2.gz OJEIZWVTZTWHAD-JPPTWICTSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1cccc2ccccc21 ZINC000246964510 879866760 /nfs/dbraw/zinc/86/67/60/879866760.db2.gz OJEIZWVTZTWHAD-JPPTWICTSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc2ccccc21 ZINC000246964510 879866776 /nfs/dbraw/zinc/86/67/76/879866776.db2.gz OJEIZWVTZTWHAD-JPPTWICTSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1cccc2ccccc21 ZINC000246964510 879866790 /nfs/dbraw/zinc/86/67/90/879866790.db2.gz OJEIZWVTZTWHAD-JPPTWICTSA-N 2 1 379.548 3.822 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000246988354 879872781 /nfs/dbraw/zinc/87/27/81/879872781.db2.gz KBNIHDRDGLGPKB-BJLQDIEVSA-N 2 1 376.541 3.636 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247029036 879891018 /nfs/dbraw/zinc/89/10/18/879891018.db2.gz MQULVOCXBMJMEM-JXALWOEJSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000247029036 879891022 /nfs/dbraw/zinc/89/10/22/879891022.db2.gz MQULVOCXBMJMEM-JXALWOEJSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000247029036 879891048 /nfs/dbraw/zinc/89/10/48/879891048.db2.gz MQULVOCXBMJMEM-JXALWOEJSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000247029036 879891067 /nfs/dbraw/zinc/89/10/67/879891067.db2.gz MQULVOCXBMJMEM-JXALWOEJSA-N 2 1 391.559 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000247029036 879891089 /nfs/dbraw/zinc/89/10/89/879891089.db2.gz MQULVOCXBMJMEM-JXALWOEJSA-N 2 1 391.559 3.603 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000247338051 879974883 /nfs/dbraw/zinc/97/48/83/879974883.db2.gz NLQVBAKXYMIGKV-LVVCFHABSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247338051 879974902 /nfs/dbraw/zinc/97/49/02/879974902.db2.gz NLQVBAKXYMIGKV-LVVCFHABSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247338051 879974911 /nfs/dbraw/zinc/97/49/11/879974911.db2.gz NLQVBAKXYMIGKV-LVVCFHABSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000531498754 879974947 /nfs/dbraw/zinc/97/49/47/879974947.db2.gz BQIUAKLEIDIKCS-KRWDZBQOSA-N 2 1 383.540 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000531498754 879974964 /nfs/dbraw/zinc/97/49/64/879974964.db2.gz BQIUAKLEIDIKCS-KRWDZBQOSA-N 2 1 383.540 3.758 20 0 GHADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677377 880306134 /nfs/dbraw/zinc/30/61/34/880306134.db2.gz LPZYBMRSHKPKGH-YLJYHZDGSA-N 2 1 375.557 3.787 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC(=O)Nc3ccc(F)cc3)CCCC2)CC1 ZINC000531720274 880376950 /nfs/dbraw/zinc/37/69/50/880376950.db2.gz XSCOMGSIWJPKGU-QGZVFWFLSA-N 2 1 391.531 3.556 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(c4ccccn4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453172312 880575655 /nfs/dbraw/zinc/57/56/55/880575655.db2.gz MUQVVKHSIZGFMQ-LUKWVAJMSA-N 2 1 376.548 3.693 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CCCO1 ZINC000453218941 880638032 /nfs/dbraw/zinc/63/80/32/880638032.db2.gz SKDFOVJOLRLIJQ-QMMLZNLJSA-N 2 1 380.960 3.521 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCO1 ZINC000453220477 880639398 /nfs/dbraw/zinc/63/93/98/880639398.db2.gz UEZLGFNANJIPMU-ONTLXTELSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCO1 ZINC000453220477 880639403 /nfs/dbraw/zinc/63/94/03/880639403.db2.gz UEZLGFNANJIPMU-ONTLXTELSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCO1 ZINC000453220477 880639407 /nfs/dbraw/zinc/63/94/07/880639407.db2.gz UEZLGFNANJIPMU-ONTLXTELSA-N 2 1 385.596 3.520 20 0 GHADMP COc1nccc(C[NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)n1 ZINC000453266709 880700185 /nfs/dbraw/zinc/70/01/85/880700185.db2.gz ZVYWSUFXTRNHIU-NRFANRHFSA-N 2 1 386.515 3.967 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000531932613 880784671 /nfs/dbraw/zinc/78/46/71/880784671.db2.gz YGZVBGPDVWEEOM-CRAIPNDOSA-N 2 1 395.519 3.989 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000792286314 881014579 /nfs/dbraw/zinc/01/45/79/881014579.db2.gz OXRKATMWYXTZEX-AUSIDOKSSA-N 2 1 394.563 3.581 20 0 GHADMP COC(=O)c1ccccc1CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187395223 881177891 /nfs/dbraw/zinc/17/78/91/881177891.db2.gz DRDQAQVMQIRLGI-UHFFFAOYSA-N 2 1 381.520 3.649 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CCO1 ZINC001170214470 881218342 /nfs/dbraw/zinc/21/83/42/881218342.db2.gz PIOZGHFJKKBAAZ-CEXWTWQISA-N 2 1 378.582 3.761 20 0 GHADMP CCN(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000532154179 881263654 /nfs/dbraw/zinc/26/36/54/881263654.db2.gz UZFPDZGHMLPGOP-SFHVURJKSA-N 2 1 377.548 3.787 20 0 GHADMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000187661934 881264805 /nfs/dbraw/zinc/26/48/05/881264805.db2.gz UGUVPORZPDAPAB-UHFFFAOYSA-N 2 1 392.588 3.586 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729600315 883268436 /nfs/dbraw/zinc/26/84/36/883268436.db2.gz QJEDKRWDFNUZPS-AUSIDOKSSA-N 2 1 394.563 3.725 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790303 883332791 /nfs/dbraw/zinc/33/27/91/883332791.db2.gz WMTRBBVWHRZGPY-UHFFFAOYSA-N 2 1 390.597 3.623 20 0 GHADMP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643465019 912713444 /nfs/dbraw/zinc/71/34/44/912713444.db2.gz DFCKXIODTYMVOW-QUZZAMIASA-N 2 1 376.504 3.963 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480249 912719218 /nfs/dbraw/zinc/71/92/18/912719218.db2.gz LBHHQMWJDOTHBT-FOZDKVSISA-N 3 1 378.564 3.800 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000643480249 912719224 /nfs/dbraw/zinc/71/92/24/912719224.db2.gz LBHHQMWJDOTHBT-FOZDKVSISA-N 2 1 378.564 3.800 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480249 912719232 /nfs/dbraw/zinc/71/92/32/912719232.db2.gz LBHHQMWJDOTHBT-FOZDKVSISA-N 2 1 378.564 3.800 20 0 GHADMP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000476987033 883542782 /nfs/dbraw/zinc/54/27/82/883542782.db2.gz QDZFKOSVFZQXRT-RBUKOAKNSA-N 2 1 375.601 3.752 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H]2CCCO[C@H]21 ZINC000551265612 883575755 /nfs/dbraw/zinc/57/57/55/883575755.db2.gz WPHNVXSYJXROGL-SSGKUCQKSA-N 2 1 398.591 3.708 20 0 GHADMP CCN1CCC([NH+](C)CC[Si](C)(C)CC[N@H+](C)C2CCN(CC)CC2)CC1 ZINC000859154753 883622899 /nfs/dbraw/zinc/62/28/99/883622899.db2.gz GSQDWMWTUNSEAH-UHFFFAOYSA-N 2 1 396.740 3.527 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccc1Cl ZINC000465430176 883643647 /nfs/dbraw/zinc/64/36/47/883643647.db2.gz YIVCUJFNLYRITH-APWZRJJASA-N 2 1 380.964 3.506 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H]2CCCO2)cc1 ZINC000643548490 912732596 /nfs/dbraw/zinc/73/25/96/912732596.db2.gz QCTHMLYFZVUPTI-SQNIBIBYSA-N 2 1 379.342 3.934 20 0 GHADMP Cc1ccccc1SC[C@@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859207432 883661558 /nfs/dbraw/zinc/66/15/58/883661558.db2.gz YGZBDDWTZHGYLG-WTBLGDFPSA-N 2 1 387.637 3.966 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000859213127 883665826 /nfs/dbraw/zinc/66/58/26/883665826.db2.gz RVKJQYUVLBZSJT-VGSWGCGISA-N 2 1 383.511 3.681 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000859283312 883717663 /nfs/dbraw/zinc/71/76/63/883717663.db2.gz QAVJKGGUSSELGG-UHFFFAOYSA-N 2 1 388.556 3.656 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859363369 883776492 /nfs/dbraw/zinc/77/64/92/883776492.db2.gz LTNVQCWIQDQUNZ-FQEVSTJZSA-N 2 1 389.927 3.934 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859363369 883776495 /nfs/dbraw/zinc/77/64/95/883776495.db2.gz LTNVQCWIQDQUNZ-FQEVSTJZSA-N 2 1 389.927 3.934 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859363369 883776507 /nfs/dbraw/zinc/77/65/07/883776507.db2.gz LTNVQCWIQDQUNZ-FQEVSTJZSA-N 2 1 389.927 3.934 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859363369 883776511 /nfs/dbraw/zinc/77/65/11/883776511.db2.gz LTNVQCWIQDQUNZ-FQEVSTJZSA-N 2 1 389.927 3.934 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034866 884275921 /nfs/dbraw/zinc/27/59/21/884275921.db2.gz YRPIYFXSARSDQX-OYRHEFFESA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034866 884275936 /nfs/dbraw/zinc/27/59/36/884275936.db2.gz YRPIYFXSARSDQX-OYRHEFFESA-N 2 1 376.545 3.551 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531188 884327572 /nfs/dbraw/zinc/32/75/72/884327572.db2.gz AFZBCHDHJHXACS-PZJWPPBQSA-N 2 1 399.623 3.885 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531188 884327587 /nfs/dbraw/zinc/32/75/87/884327587.db2.gz AFZBCHDHJHXACS-PZJWPPBQSA-N 2 1 399.623 3.885 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000249389991 912816722 /nfs/dbraw/zinc/81/67/22/912816722.db2.gz RTZNSXRTESEYLB-VNHKHXMHSA-N 2 1 393.531 3.758 20 0 GHADMP C(=C/C[N@H+]1CC[C@H](Nc2ccccc2)C1)\C[NH+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845836 884499016 /nfs/dbraw/zinc/49/90/16/884499016.db2.gz MAXZKEJYTPMFJS-NOBCDRQISA-N 2 1 376.548 3.915 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@@H](C)C1 ZINC000495163419 884700154 /nfs/dbraw/zinc/70/01/54/884700154.db2.gz BCKXSKCIOCSYDD-FIKGOQFSSA-N 2 1 397.966 3.784 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000498566203 884856476 /nfs/dbraw/zinc/85/64/76/884856476.db2.gz BZGJRTZCUGBYMR-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP CCOc1ccc(NC(=O)CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000460347397 884926942 /nfs/dbraw/zinc/92/69/42/884926942.db2.gz JIDUISHJQVOMNJ-HROJSSOGSA-N 2 1 395.547 3.770 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000460347397 884926954 /nfs/dbraw/zinc/92/69/54/884926954.db2.gz JIDUISHJQVOMNJ-HROJSSOGSA-N 2 1 395.547 3.770 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000460347397 884926968 /nfs/dbraw/zinc/92/69/68/884926968.db2.gz JIDUISHJQVOMNJ-HROJSSOGSA-N 2 1 395.547 3.770 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598483 884990850 /nfs/dbraw/zinc/99/08/50/884990850.db2.gz LLBVEIRFSIQMGJ-HSZRJFAPSA-N 2 1 377.532 3.563 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001168484023 885105049 /nfs/dbraw/zinc/10/50/49/885105049.db2.gz CPJMATLJMWEEBZ-FQEVSTJZSA-N 2 1 397.538 3.766 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000460384601 885201779 /nfs/dbraw/zinc/20/17/79/885201779.db2.gz XVESZJKQQDSJJN-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000460384601 885201793 /nfs/dbraw/zinc/20/17/93/885201793.db2.gz XVESZJKQQDSJJN-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000130986370 885402293 /nfs/dbraw/zinc/40/22/93/885402293.db2.gz ZHPMIWGTZJNGHC-AUSIDOKSSA-N 2 1 383.584 3.908 20 0 GHADMP CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000130986370 885402312 /nfs/dbraw/zinc/40/23/12/885402312.db2.gz ZHPMIWGTZJNGHC-AUSIDOKSSA-N 2 1 383.584 3.908 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)C1 ZINC001170523711 885424824 /nfs/dbraw/zinc/42/48/24/885424824.db2.gz IECYTPLKHIJEAO-SBFWRKJZSA-N 2 1 392.543 3.976 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000303130344 885462580 /nfs/dbraw/zinc/46/25/80/885462580.db2.gz KFPKJKJLCQBDQG-ONTIZHBOSA-N 2 1 386.584 3.552 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCCCC2)cc1 ZINC000532460357 885540461 /nfs/dbraw/zinc/54/04/61/885540461.db2.gz ITQQKTXWSREDDE-LJQANCHMSA-N 2 1 382.552 3.866 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000303677527 885674030 /nfs/dbraw/zinc/67/40/30/885674030.db2.gz QTQTYVVYXFGTIP-DENIHFKCSA-N 2 1 386.584 3.776 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000498853774 885943092 /nfs/dbraw/zinc/94/30/92/885943092.db2.gz YSRTUGLNTWNXBH-CTNGQTDRSA-N 2 1 394.987 3.661 20 0 GHADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)CN1CCN(c2ccccc2)C1=O ZINC000808165959 886035987 /nfs/dbraw/zinc/03/59/87/886035987.db2.gz UWZVAVDJFHSFSQ-UHFFFAOYSA-N 2 1 393.535 3.520 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@H+](C4CCC([NH+](C)C)CC4)C[C@H]2C3)c1 ZINC001168319256 886213481 /nfs/dbraw/zinc/21/34/81/886213481.db2.gz PXRPBXPFAQZVIL-HZGZPEGRSA-N 2 1 394.563 3.540 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)N2CCOCC2)o1 ZINC000118996792 886324240 /nfs/dbraw/zinc/32/42/40/886324240.db2.gz YRWAZTBAVXWWIX-BWAGFHJFSA-N 2 1 389.584 3.594 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000332828453 886552679 /nfs/dbraw/zinc/55/26/79/886552679.db2.gz NNZNCWGMIGWDKF-AZUAARDMSA-N 2 1 386.584 3.730 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000332828453 886552694 /nfs/dbraw/zinc/55/26/94/886552694.db2.gz NNZNCWGMIGWDKF-AZUAARDMSA-N 2 1 386.584 3.730 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000073210821 886618221 /nfs/dbraw/zinc/61/82/21/886618221.db2.gz NHHPKZCDDBDAQK-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000919861386 886631342 /nfs/dbraw/zinc/63/13/42/886631342.db2.gz UMEWCTQXYHYAQY-UHFFFAOYSA-N 2 1 396.438 3.698 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H](C)C3)cc12 ZINC000237525169 886961141 /nfs/dbraw/zinc/96/11/41/886961141.db2.gz DBIDFIFFCSRLIU-QGZVFWFLSA-N 2 1 377.536 3.798 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@H](c2ccccc2)OC1=O ZINC000863262542 886977750 /nfs/dbraw/zinc/97/77/50/886977750.db2.gz GTEGELOTBQSWKP-JOCHJYFZSA-N 2 1 394.519 3.771 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1)CC1CC1 ZINC000536584139 887297817 /nfs/dbraw/zinc/29/78/17/887297817.db2.gz LHCSASCCPHMXCB-OAQYLSRUSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1)CC1CC1 ZINC000536584139 887297830 /nfs/dbraw/zinc/29/78/30/887297830.db2.gz LHCSASCCPHMXCB-OAQYLSRUSA-N 2 1 390.616 3.547 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1)CC1CC1 ZINC000536584139 887297846 /nfs/dbraw/zinc/29/78/46/887297846.db2.gz LHCSASCCPHMXCB-OAQYLSRUSA-N 2 1 390.616 3.547 20 0 GHADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000459321288 887331554 /nfs/dbraw/zinc/33/15/54/887331554.db2.gz ZTKBKWPCOIHIKT-QHCPKHFHSA-N 2 1 377.488 3.628 20 0 GHADMP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000459321288 887331569 /nfs/dbraw/zinc/33/15/69/887331569.db2.gz ZTKBKWPCOIHIKT-QHCPKHFHSA-N 2 1 377.488 3.628 20 0 GHADMP Cc1ccc2c(C[NH+]3CCN(c4cc[nH+]c5ccccc54)CC3)cc(=O)oc2c1 ZINC000809562906 887542361 /nfs/dbraw/zinc/54/23/61/887542361.db2.gz KITOEMFTMOOXKG-UHFFFAOYSA-N 2 1 385.467 3.972 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000809605251 887575327 /nfs/dbraw/zinc/57/53/27/887575327.db2.gz FWEHCROALROPGZ-INIZCTEOSA-N 2 1 387.549 3.853 20 0 GHADMP Clc1nc2cc(Cl)ccn2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000809583114 887592710 /nfs/dbraw/zinc/59/27/10/887592710.db2.gz CXMLKKIHWLZMPW-UHFFFAOYSA-N 2 1 397.350 3.718 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000809622859 887620540 /nfs/dbraw/zinc/62/05/40/887620540.db2.gz MZPLBMQOULELLK-YHOLWWCESA-N 2 1 379.570 3.776 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000809622859 887620556 /nfs/dbraw/zinc/62/05/56/887620556.db2.gz MZPLBMQOULELLK-YHOLWWCESA-N 2 1 379.570 3.776 20 0 GHADMP Brc1c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)nc2ccccn21 ZINC000809624624 887624869 /nfs/dbraw/zinc/62/48/69/887624869.db2.gz NBXIUUHRGJLBCM-UHFFFAOYSA-N 2 1 391.357 3.984 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629572 887627874 /nfs/dbraw/zinc/62/78/74/887627874.db2.gz VENNJZYAMVSMJU-AEFFLSMTSA-N 2 1 387.549 3.579 20 0 GHADMP C[C@H](Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000809656460 887662803 /nfs/dbraw/zinc/66/28/03/887662803.db2.gz CXRLSNDKZUIMNK-CDNPAEQRSA-N 2 1 395.547 3.773 20 0 GHADMP C[C@H](Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000809656460 887662808 /nfs/dbraw/zinc/66/28/08/887662808.db2.gz CXRLSNDKZUIMNK-CDNPAEQRSA-N 2 1 395.547 3.773 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184406040 913168931 /nfs/dbraw/zinc/16/89/31/913168931.db2.gz WWGZZXOTXSRWJT-GOSISDBHSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809664829 887689588 /nfs/dbraw/zinc/68/95/88/887689588.db2.gz KSJIUBXFKLBZKO-HBFSDRIKSA-N 2 1 375.557 3.790 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000809723690 887747802 /nfs/dbraw/zinc/74/78/02/887747802.db2.gz LZEGLLDBBYQYFO-LJQANCHMSA-N 2 1 399.539 3.845 20 0 GHADMP Cn1ccnc1COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000809738851 887775603 /nfs/dbraw/zinc/77/56/03/887775603.db2.gz MQFXKINMESMRAF-UHFFFAOYSA-N 2 1 378.520 3.693 20 0 GHADMP C[N@@H+]1CCCC12CC[NH+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)CC2 ZINC000809970334 888011937 /nfs/dbraw/zinc/01/19/37/888011937.db2.gz VFDHSJNPJCBKEU-WGSAOQKQSA-N 2 1 379.589 3.878 20 0 GHADMP C[N@H+]1CCCC12CC[NH+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)CC2 ZINC000809970334 888011950 /nfs/dbraw/zinc/01/19/50/888011950.db2.gz VFDHSJNPJCBKEU-WGSAOQKQSA-N 2 1 379.589 3.878 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184406466 913205248 /nfs/dbraw/zinc/20/52/48/913205248.db2.gz ZJIQMQRPLSSKKH-LJQANCHMSA-N 2 1 391.987 3.981 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000120394719 888195933 /nfs/dbraw/zinc/19/59/33/888195933.db2.gz KYGNULLDMWNWMJ-GCJKJVERSA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000120394719 888195935 /nfs/dbraw/zinc/19/59/35/888195935.db2.gz KYGNULLDMWNWMJ-GCJKJVERSA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000120394719 888195938 /nfs/dbraw/zinc/19/59/38/888195938.db2.gz KYGNULLDMWNWMJ-GCJKJVERSA-N 2 1 384.520 3.678 20 0 GHADMP O[C@@H](CNc1cccn2cc[nH+]c12)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170597793 888202983 /nfs/dbraw/zinc/20/29/83/888202983.db2.gz YJNBQONLTNSYRG-QFIPXVFZSA-N 2 1 386.499 3.810 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2C1 ZINC000865416827 888334100 /nfs/dbraw/zinc/33/41/00/888334100.db2.gz NNMIECOKSFVYNX-SJORKVTESA-N 2 1 391.581 3.758 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2C1 ZINC000865416827 888334111 /nfs/dbraw/zinc/33/41/11/888334111.db2.gz NNMIECOKSFVYNX-SJORKVTESA-N 2 1 391.581 3.758 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000916004149 888622310 /nfs/dbraw/zinc/62/23/10/888622310.db2.gz PCXZDBOYLBBWEQ-WIYYLYMNSA-N 2 1 388.625 3.509 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000916004149 888622317 /nfs/dbraw/zinc/62/23/17/888622317.db2.gz PCXZDBOYLBBWEQ-WIYYLYMNSA-N 2 1 388.625 3.509 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000916004149 888622322 /nfs/dbraw/zinc/62/23/22/888622322.db2.gz PCXZDBOYLBBWEQ-WIYYLYMNSA-N 2 1 388.625 3.509 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866466883 888893854 /nfs/dbraw/zinc/89/38/54/888893854.db2.gz NZCFPQSTCNZSKW-MUGJNUQGSA-N 2 1 397.604 3.549 20 0 GHADMP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590496 888953872 /nfs/dbraw/zinc/95/38/72/888953872.db2.gz RRYGRDDLXAFJBZ-IBGZPJMESA-N 2 1 380.374 3.612 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644530794 913344528 /nfs/dbraw/zinc/34/45/28/913344528.db2.gz OXHGRCLBZOHIIY-XZOQPEGZSA-N 2 1 382.548 3.545 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000245759759 889659549 /nfs/dbraw/zinc/65/95/49/889659549.db2.gz VKCUDKVFUGIFNT-DKUWSORSSA-N 2 1 398.572 3.765 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245759759 889659557 /nfs/dbraw/zinc/65/95/57/889659557.db2.gz VKCUDKVFUGIFNT-DKUWSORSSA-N 2 1 398.572 3.765 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000533321444 890271730 /nfs/dbraw/zinc/27/17/30/890271730.db2.gz LOJMWCNEBDXGAR-XLIONFOSSA-N 2 1 394.991 3.610 20 0 GHADMP CSc1ccc(Br)cc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000897515038 890400455 /nfs/dbraw/zinc/40/04/55/890400455.db2.gz HTIMELAGOZBEPH-QGZVFWFLSA-N 2 1 399.398 3.556 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000533407816 890478665 /nfs/dbraw/zinc/47/86/65/890478665.db2.gz DKUPAEJHHNJCFS-HXUWFJFHSA-N 2 1 385.552 3.806 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000533407816 890478670 /nfs/dbraw/zinc/47/86/70/890478670.db2.gz DKUPAEJHHNJCFS-HXUWFJFHSA-N 2 1 385.552 3.806 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872032029 891126207 /nfs/dbraw/zinc/12/62/07/891126207.db2.gz PGKLQOVMJUJGTK-LSBZLQRGSA-N 2 1 392.341 3.958 20 0 GHADMP Fc1ccc(-n2ccc(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)n2)cc1 ZINC000127733985 891225553 /nfs/dbraw/zinc/22/55/53/891225553.db2.gz DORIXKQRYSSQNY-UHFFFAOYSA-N 2 1 392.522 3.851 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000247889515 891398908 /nfs/dbraw/zinc/39/89/08/891398908.db2.gz DYWAAXHOFUPMCY-NRSPTQNISA-N 2 1 384.593 3.780 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000247889515 891398929 /nfs/dbraw/zinc/39/89/29/891398929.db2.gz DYWAAXHOFUPMCY-NRSPTQNISA-N 2 1 384.593 3.780 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000248157225 891414612 /nfs/dbraw/zinc/41/46/12/891414612.db2.gz RMYYCRYCIWSBJC-RIFZZMRRSA-N 2 1 392.590 3.885 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000248157225 891414615 /nfs/dbraw/zinc/41/46/15/891414615.db2.gz RMYYCRYCIWSBJC-RIFZZMRRSA-N 2 1 392.590 3.885 20 0 GHADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128121363 891427161 /nfs/dbraw/zinc/42/71/61/891427161.db2.gz FAYFEJXAZXTYGC-PMACEKPBSA-N 2 1 385.577 3.517 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001137068475 891473690 /nfs/dbraw/zinc/47/36/90/891473690.db2.gz GDEPAFUKHCVROH-GHTZIAJQSA-N 2 1 381.520 3.516 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000128216818 891486381 /nfs/dbraw/zinc/48/63/81/891486381.db2.gz IWAFCGKTIKTKFF-GOSISDBHSA-N 2 1 387.503 3.645 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000128216818 891486391 /nfs/dbraw/zinc/48/63/91/891486391.db2.gz IWAFCGKTIKTKFF-GOSISDBHSA-N 2 1 387.503 3.645 20 0 GHADMP O[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)cc1F ZINC000813371238 891553321 /nfs/dbraw/zinc/55/33/21/891553321.db2.gz SKXRXYGDFBHPHM-QFIPXVFZSA-N 2 1 386.486 3.986 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000116561619 891596087 /nfs/dbraw/zinc/59/60/87/891596087.db2.gz QLQUBZVGNSQUHW-WIYYLYMNSA-N 2 1 384.568 3.528 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)c(Cl)cc3OC)CC2)CC1 ZINC000888626915 891709015 /nfs/dbraw/zinc/70/90/15/891709015.db2.gz NQAJNKDLYWINOR-UHFFFAOYSA-N 2 1 397.922 3.623 20 0 GHADMP CC(C)N1CC[C@H](NC(=O)[C@H](N)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497501685 891714040 /nfs/dbraw/zinc/71/40/40/891714040.db2.gz CKMKEMAVTJCBBL-ZCNNSNEGSA-N 2 1 389.902 3.819 20 0 GHADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128409290 891863251 /nfs/dbraw/zinc/86/32/51/891863251.db2.gz PKXDDYFHBIJOGU-JKSUJKDBSA-N 2 1 388.383 3.766 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000116575807 891985372 /nfs/dbraw/zinc/98/53/72/891985372.db2.gz DMYWUCVDDDLPFZ-UHFFFAOYSA-N 2 1 397.588 3.617 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262462478 892281987 /nfs/dbraw/zinc/28/19/87/892281987.db2.gz VZBSRZBPWJBLQG-KNEBKQPDSA-N 2 1 381.923 3.507 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262462478 892281996 /nfs/dbraw/zinc/28/19/96/892281996.db2.gz VZBSRZBPWJBLQG-KNEBKQPDSA-N 2 1 381.923 3.507 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274712 892398624 /nfs/dbraw/zinc/39/86/24/892398624.db2.gz VVHUIWBVCBZBPV-MCWSDJLFSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274712 892398644 /nfs/dbraw/zinc/39/86/44/892398644.db2.gz VVHUIWBVCBZBPV-MCWSDJLFSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274712 892398666 /nfs/dbraw/zinc/39/86/66/892398666.db2.gz VVHUIWBVCBZBPV-MCWSDJLFSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274712 892398684 /nfs/dbraw/zinc/39/86/84/892398684.db2.gz VVHUIWBVCBZBPV-MCWSDJLFSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C1)C2 ZINC001168274712 892398702 /nfs/dbraw/zinc/39/87/02/892398702.db2.gz VVHUIWBVCBZBPV-MCWSDJLFSA-N 2 1 391.559 3.790 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cn2c3c(sc2=O)CCCC3)CC1 ZINC000125524909 892752226 /nfs/dbraw/zinc/75/22/26/892752226.db2.gz HFVAHJPLDSGFHE-QGZVFWFLSA-N 2 1 377.598 3.723 20 0 GHADMP C[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262681573 892847023 /nfs/dbraw/zinc/84/70/23/892847023.db2.gz XVGGADAOJUFJHV-MSYCTHLASA-N 2 1 379.548 3.871 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000533892468 893382839 /nfs/dbraw/zinc/38/28/39/893382839.db2.gz PFTGKIZCKNNCAL-GOTSBHOMSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000533892468 893382857 /nfs/dbraw/zinc/38/28/57/893382857.db2.gz PFTGKIZCKNNCAL-GOTSBHOMSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000533892468 893382877 /nfs/dbraw/zinc/38/28/77/893382877.db2.gz PFTGKIZCKNNCAL-GOTSBHOMSA-N 2 1 394.563 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)CC[C@H]21 ZINC000876929872 893393911 /nfs/dbraw/zinc/39/39/11/893393911.db2.gz OJCLGTHMIBGTMP-JRBPQWBISA-N 2 1 377.573 3.629 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2cccs2)cc1 ZINC000563153656 893412505 /nfs/dbraw/zinc/41/25/05/893412505.db2.gz CRXRMCZTAWLBDI-VIZSFHNOSA-N 2 1 397.588 3.584 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4c(ccnc4Cl)o3)c2)CCO1 ZINC000876970372 893415596 /nfs/dbraw/zinc/41/55/96/893415596.db2.gz PUXAXPCHAMSYFA-HNNXBMFYSA-N 2 1 385.895 3.992 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4c(ccnc4Cl)o3)c2)CCO1 ZINC000876970372 893415602 /nfs/dbraw/zinc/41/56/02/893415602.db2.gz PUXAXPCHAMSYFA-HNNXBMFYSA-N 2 1 385.895 3.992 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815107587 893481666 /nfs/dbraw/zinc/48/16/66/893481666.db2.gz RICJUUSDUYGETF-QGZVFWFLSA-N 2 1 389.765 3.728 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815107587 893481676 /nfs/dbraw/zinc/48/16/76/893481676.db2.gz RICJUUSDUYGETF-QGZVFWFLSA-N 2 1 389.765 3.728 20 0 GHADMP Clc1ncccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000815149219 893523156 /nfs/dbraw/zinc/52/31/56/893523156.db2.gz DVVKPEYIMIADRW-FQEVSTJZSA-N 2 1 385.939 3.753 20 0 GHADMP Clc1ncccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000815149219 893523176 /nfs/dbraw/zinc/52/31/76/893523176.db2.gz DVVKPEYIMIADRW-FQEVSTJZSA-N 2 1 385.939 3.753 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459444015 893536244 /nfs/dbraw/zinc/53/62/44/893536244.db2.gz QKQPKVDCTOTURJ-IRLDBZIGSA-N 3 1 378.564 3.941 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@H](Cc2nccs2)C1)[NH+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335058 893554615 /nfs/dbraw/zinc/55/46/15/893554615.db2.gz GIJZYMSSLCXWBR-KURKYZTESA-N 2 1 390.622 3.807 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H](Cc2nccs2)C1)[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335058 893554625 /nfs/dbraw/zinc/55/46/25/893554625.db2.gz GIJZYMSSLCXWBR-KURKYZTESA-N 2 1 390.622 3.807 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H](Cc2nccs2)C1)[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335058 893554637 /nfs/dbraw/zinc/55/46/37/893554637.db2.gz GIJZYMSSLCXWBR-KURKYZTESA-N 2 1 390.622 3.807 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476349 893632761 /nfs/dbraw/zinc/63/27/61/893632761.db2.gz BMEPTOGVZQJQTJ-DZTNWFRXSA-N 2 1 382.485 3.590 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476349 893632772 /nfs/dbraw/zinc/63/27/72/893632772.db2.gz BMEPTOGVZQJQTJ-DZTNWFRXSA-N 2 1 382.485 3.590 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1=O ZINC000563355773 893658623 /nfs/dbraw/zinc/65/86/23/893658623.db2.gz TWEDHNWPRQNKJS-HSZRJFAPSA-N 2 1 389.543 3.929 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1=O ZINC000563355773 893658627 /nfs/dbraw/zinc/65/86/27/893658627.db2.gz TWEDHNWPRQNKJS-HSZRJFAPSA-N 2 1 389.543 3.929 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NCc2cccs2)CC1)CC1CC1 ZINC000536736303 893696030 /nfs/dbraw/zinc/69/60/30/893696030.db2.gz HPXQYBHQMGTCHZ-QGZVFWFLSA-N 2 1 377.598 3.587 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000556092477 893705306 /nfs/dbraw/zinc/70/53/06/893705306.db2.gz WSLYUOQQNIYIEE-BDTNDASRSA-N 2 1 384.568 3.746 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000556092477 893705314 /nfs/dbraw/zinc/70/53/14/893705314.db2.gz WSLYUOQQNIYIEE-BDTNDASRSA-N 2 1 384.568 3.746 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000459521660 893718969 /nfs/dbraw/zinc/71/89/69/893718969.db2.gz FONDAONWQQEEHB-UHFFFAOYSA-N 2 1 381.564 3.786 20 0 GHADMP CC(C)C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118128 893830629 /nfs/dbraw/zinc/83/06/29/893830629.db2.gz LCFPVQVNJHPOLB-GBESFXJTSA-N 2 1 386.565 3.921 20 0 GHADMP CC1(C)C[N@H+](Cc2cn3cccnc3n2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459574598 893844404 /nfs/dbraw/zinc/84/44/04/893844404.db2.gz SXNPSVMWSVMOHD-QFIPXVFZSA-N 2 1 389.547 3.852 20 0 GHADMP CC1(C)C[N@@H+](Cc2cn3cccnc3n2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459574598 893844421 /nfs/dbraw/zinc/84/44/21/893844421.db2.gz SXNPSVMWSVMOHD-QFIPXVFZSA-N 2 1 389.547 3.852 20 0 GHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000536852560 893936441 /nfs/dbraw/zinc/93/64/41/893936441.db2.gz NWXCGNNHFBYCKP-ZOCIIQOWSA-N 2 1 386.565 3.542 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000878039690 893972174 /nfs/dbraw/zinc/97/21/74/893972174.db2.gz CIQJCVZSIINUOM-QHCPKHFHSA-N 2 1 386.580 3.806 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000563636104 893998212 /nfs/dbraw/zinc/99/82/12/893998212.db2.gz KSVHBQKQEYVQGX-DENIHFKCSA-N 2 1 399.966 3.624 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000563636104 893998220 /nfs/dbraw/zinc/99/82/20/893998220.db2.gz KSVHBQKQEYVQGX-DENIHFKCSA-N 2 1 399.966 3.624 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160143 894060499 /nfs/dbraw/zinc/06/04/99/894060499.db2.gz HCUQIUVZDWJGJC-XZOQPEGZSA-N 2 1 384.564 3.703 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160143 894060516 /nfs/dbraw/zinc/06/05/16/894060516.db2.gz HCUQIUVZDWJGJC-XZOQPEGZSA-N 2 1 384.564 3.703 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCC5(CCOCC5)O4)C3)C2)cc1 ZINC000878160143 894060542 /nfs/dbraw/zinc/06/05/42/894060542.db2.gz HCUQIUVZDWJGJC-XZOQPEGZSA-N 2 1 384.564 3.703 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999103 894205681 /nfs/dbraw/zinc/20/56/81/894205681.db2.gz YEYCZHHMSBIRNW-FYYLOGMGSA-N 2 1 395.522 3.764 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000563808991 894214236 /nfs/dbraw/zinc/21/42/36/894214236.db2.gz BYGXJVIJPIZOFM-UHFFFAOYSA-N 2 1 394.563 3.909 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000537096284 894307954 /nfs/dbraw/zinc/30/79/54/894307954.db2.gz OKLZNCVOSDEWPQ-XARGGIHNSA-N 3 1 387.612 3.516 20 0 GHADMP CC[NH+]1CC[C@H]([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000537096284 894307969 /nfs/dbraw/zinc/30/79/69/894307969.db2.gz OKLZNCVOSDEWPQ-XARGGIHNSA-N 3 1 387.612 3.516 20 0 GHADMP CC[NH+]1CC[C@H]([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000537096284 894307983 /nfs/dbraw/zinc/30/79/83/894307983.db2.gz OKLZNCVOSDEWPQ-XARGGIHNSA-N 3 1 387.612 3.516 20 0 GHADMP CCN1CC[C@H]([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000537096284 894307992 /nfs/dbraw/zinc/30/79/92/894307992.db2.gz OKLZNCVOSDEWPQ-XARGGIHNSA-N 2 1 387.612 3.516 20 0 GHADMP CCN1CC[C@H]([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)[C@@H](C)C1 ZINC000537096284 894308006 /nfs/dbraw/zinc/30/80/06/894308006.db2.gz OKLZNCVOSDEWPQ-XARGGIHNSA-N 2 1 387.612 3.516 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000537205758 894595241 /nfs/dbraw/zinc/59/52/41/894595241.db2.gz RBWWJUPJKPSAQN-ZDUSSCGKSA-N 2 1 377.273 3.824 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000537205758 894595246 /nfs/dbraw/zinc/59/52/46/894595246.db2.gz RBWWJUPJKPSAQN-ZDUSSCGKSA-N 2 1 377.273 3.824 20 0 GHADMP C[NH+](Cc1ccc(OC(F)F)c(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000537205758 894595253 /nfs/dbraw/zinc/59/52/53/894595253.db2.gz RBWWJUPJKPSAQN-ZDUSSCGKSA-N 2 1 377.273 3.824 20 0 GHADMP C[NH+](Cc1ccc(OC(F)F)c(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000537205758 894595257 /nfs/dbraw/zinc/59/52/57/894595257.db2.gz RBWWJUPJKPSAQN-ZDUSSCGKSA-N 2 1 377.273 3.824 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892389 894703192 /nfs/dbraw/zinc/70/31/92/894703192.db2.gz VQCGJLSDOZXFBK-LKTXNROYSA-N 2 1 396.575 3.557 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892389 894703193 /nfs/dbraw/zinc/70/31/93/894703193.db2.gz VQCGJLSDOZXFBK-LKTXNROYSA-N 2 1 396.575 3.557 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2C[C@@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892389 894703209 /nfs/dbraw/zinc/70/32/09/894703209.db2.gz VQCGJLSDOZXFBK-LKTXNROYSA-N 2 1 396.575 3.557 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC001135596666 894854010 /nfs/dbraw/zinc/85/40/10/894854010.db2.gz GPMNAWHAOIGSAJ-JOCHJYFZSA-N 2 1 384.568 3.564 20 0 GHADMP Cn1c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc2oc1=O ZINC000816567903 894949013 /nfs/dbraw/zinc/94/90/13/894949013.db2.gz OZBMVNNLNMDZQX-PWRODBHTSA-N 2 1 391.515 3.522 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000564434812 894979379 /nfs/dbraw/zinc/97/93/79/894979379.db2.gz FRTONXSTKVNWTC-QHCPKHFHSA-N 2 1 379.504 3.883 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538448 895064628 /nfs/dbraw/zinc/06/46/28/895064628.db2.gz WIYBSESAZHAKIL-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538448 895064644 /nfs/dbraw/zinc/06/46/44/895064644.db2.gz WIYBSESAZHAKIL-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000564538448 895064660 /nfs/dbraw/zinc/06/46/60/895064660.db2.gz WIYBSESAZHAKIL-IRLDBZIGSA-N 2 1 380.532 3.966 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000816818983 895111922 /nfs/dbraw/zinc/11/19/22/895111922.db2.gz QWBYGGAPPQCYFM-UHFFFAOYSA-N 2 1 398.595 3.812 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(N(C)C)c(Cl)c3)CC2)CC1 ZINC000816893610 895168069 /nfs/dbraw/zinc/16/80/69/895168069.db2.gz WIWNCTGOUOAZQN-UHFFFAOYSA-N 2 1 392.975 3.541 20 0 GHADMP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH]nc21 ZINC001137146256 895265522 /nfs/dbraw/zinc/26/55/22/895265522.db2.gz DVTQAJRWEXEHQK-AVCGJXAMSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH]nc21 ZINC001137146256 895265534 /nfs/dbraw/zinc/26/55/34/895265534.db2.gz DVTQAJRWEXEHQK-AVCGJXAMSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)[nH]nc21 ZINC001137146256 895265547 /nfs/dbraw/zinc/26/55/47/895265547.db2.gz DVTQAJRWEXEHQK-AVCGJXAMSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)[nH]nc21 ZINC001137146256 895265561 /nfs/dbraw/zinc/26/55/61/895265561.db2.gz DVTQAJRWEXEHQK-AVCGJXAMSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000564847879 895281579 /nfs/dbraw/zinc/28/15/79/895281579.db2.gz INLZQYPKOSHCBC-PMACEKPBSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000564847879 895281592 /nfs/dbraw/zinc/28/15/92/895281592.db2.gz INLZQYPKOSHCBC-PMACEKPBSA-N 2 1 388.577 3.606 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000565188763 895450472 /nfs/dbraw/zinc/45/04/72/895450472.db2.gz OUCWTTSCSJRQNG-AKIFATBCSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000565188763 895450480 /nfs/dbraw/zinc/45/04/80/895450480.db2.gz OUCWTTSCSJRQNG-AKIFATBCSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000565188763 895450488 /nfs/dbraw/zinc/45/04/88/895450488.db2.gz OUCWTTSCSJRQNG-AKIFATBCSA-N 2 1 383.580 3.622 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000565193258 895452221 /nfs/dbraw/zinc/45/22/21/895452221.db2.gz XLCRKGHHEVHECJ-FYYLOGMGSA-N 2 1 397.607 3.710 20 0 GHADMP O[C@H](C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000817275164 895460178 /nfs/dbraw/zinc/46/01/78/895460178.db2.gz WTLZPZWABDCGPX-XZOQPEGZSA-N 2 1 398.547 3.980 20 0 GHADMP O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000817275164 895460190 /nfs/dbraw/zinc/46/01/90/895460190.db2.gz WTLZPZWABDCGPX-XZOQPEGZSA-N 2 1 398.547 3.980 20 0 GHADMP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817276264 895464015 /nfs/dbraw/zinc/46/40/15/895464015.db2.gz XBPYCFABAWFFQR-BJKOFHAPSA-N 2 1 398.522 3.746 20 0 GHADMP O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817276264 895464020 /nfs/dbraw/zinc/46/40/20/895464020.db2.gz XBPYCFABAWFFQR-BJKOFHAPSA-N 2 1 398.522 3.746 20 0 GHADMP CN1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880137691 895537298 /nfs/dbraw/zinc/53/72/98/895537298.db2.gz JAQSBZRHHSVEBJ-NEWJYFPISA-N 2 1 390.660 3.664 20 0 GHADMP CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCCCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880137691 895537301 /nfs/dbraw/zinc/53/73/01/895537301.db2.gz JAQSBZRHHSVEBJ-NEWJYFPISA-N 2 1 390.660 3.664 20 0 GHADMP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCCCCC[NH+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880137691 895537307 /nfs/dbraw/zinc/53/73/07/895537307.db2.gz JAQSBZRHHSVEBJ-NEWJYFPISA-N 2 1 390.660 3.664 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](c4ccc(C)cc4)C[C@@H]3C)CC2)CC1 ZINC000565548551 895715454 /nfs/dbraw/zinc/71/54/54/895715454.db2.gz JBDXIUHWNUMGIR-REWPJTCUSA-N 2 1 397.607 3.896 20 0 GHADMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000880475185 895723633 /nfs/dbraw/zinc/72/36/33/895723633.db2.gz UOFJNVUWKAEPQL-QFIPXVFZSA-N 2 1 397.588 3.904 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000565887478 895958796 /nfs/dbraw/zinc/95/87/96/895958796.db2.gz RVDUKMVBKWHQJW-FYYLOGMGSA-N 2 1 392.547 3.972 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3csc4ccccc34)CC2)C[C@@H](C)O1 ZINC000566381292 896274006 /nfs/dbraw/zinc/27/40/06/896274006.db2.gz GCLHOKZFOMNWCG-QZTJIDSGSA-N 2 1 388.577 3.992 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566620234 896426870 /nfs/dbraw/zinc/42/68/70/896426870.db2.gz TWZFCOWUUVFVER-QFIPXVFZSA-N 2 1 392.547 3.796 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566620234 896426876 /nfs/dbraw/zinc/42/68/76/896426876.db2.gz TWZFCOWUUVFVER-QFIPXVFZSA-N 2 1 392.547 3.796 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000566914371 896692337 /nfs/dbraw/zinc/69/23/37/896692337.db2.gz MYAHDBBOCBJMBP-NRFANRHFSA-N 2 1 395.522 3.651 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000566914371 896692344 /nfs/dbraw/zinc/69/23/44/896692344.db2.gz MYAHDBBOCBJMBP-NRFANRHFSA-N 2 1 395.522 3.651 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567093550 896868523 /nfs/dbraw/zinc/86/85/23/896868523.db2.gz GRKKTEPZEKEGGD-QFIPXVFZSA-N 2 1 381.524 3.662 20 0 GHADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OCc1ccncc1 ZINC000567225248 896986405 /nfs/dbraw/zinc/98/64/05/896986405.db2.gz CHHICJSTYALJND-UHFFFAOYSA-N 2 1 380.492 3.696 20 0 GHADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OCc1ccncc1 ZINC000567225248 896986412 /nfs/dbraw/zinc/98/64/12/896986412.db2.gz CHHICJSTYALJND-UHFFFAOYSA-N 2 1 380.492 3.696 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000130718436 897198577 /nfs/dbraw/zinc/19/85/77/897198577.db2.gz SMKIHPMISWSKLA-GOSISDBHSA-N 2 1 383.540 3.531 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000130718436 897198587 /nfs/dbraw/zinc/19/85/87/897198587.db2.gz SMKIHPMISWSKLA-GOSISDBHSA-N 2 1 383.540 3.531 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CCOCC3)cc2)C1 ZINC000883234947 897393701 /nfs/dbraw/zinc/39/37/01/897393701.db2.gz PTAGFVNHVBRXPA-RPWUZVMVSA-N 2 1 398.522 3.650 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809137 897538271 /nfs/dbraw/zinc/53/82/71/897538271.db2.gz UVBJMBFUMIXLOM-WOJBJXKFSA-N 3 1 381.564 3.820 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809137 897538280 /nfs/dbraw/zinc/53/82/80/897538280.db2.gz UVBJMBFUMIXLOM-WOJBJXKFSA-N 3 1 381.564 3.820 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4ccccc4F)n3)CC2)C1 ZINC000568274575 897708093 /nfs/dbraw/zinc/70/80/93/897708093.db2.gz HBWQKMYUBZDFRS-KXBFYZLASA-N 2 1 375.513 3.668 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000132316744 897752386 /nfs/dbraw/zinc/75/23/86/897752386.db2.gz XNMFTDKPKWMKET-OTWHNJEPSA-N 2 1 386.584 3.664 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001136448694 897878611 /nfs/dbraw/zinc/87/86/11/897878611.db2.gz MHKPKMRJLUJHDE-YADHBBJMSA-N 2 1 383.511 3.518 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001136456550 897934067 /nfs/dbraw/zinc/93/40/67/897934067.db2.gz KHTPIQJDGDEFHW-LJQANCHMSA-N 2 1 375.582 3.603 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CCc4cccc(F)c4C3)CC[C@@H]21 ZINC001170983734 898288638 /nfs/dbraw/zinc/28/86/38/898288638.db2.gz AEVVFWAMADZOJE-XBJMDHIQSA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CCc4cccc(F)c4C3)CC[C@@H]21 ZINC001170983734 898288654 /nfs/dbraw/zinc/28/86/54/898288654.db2.gz AEVVFWAMADZOJE-XBJMDHIQSA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CCc4cccc(F)c4C3)CC[C@@H]21 ZINC001170983734 898288668 /nfs/dbraw/zinc/28/86/68/898288668.db2.gz AEVVFWAMADZOJE-XBJMDHIQSA-N 2 1 396.554 3.753 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCCc3ccc(Br)cc31)CCO2 ZINC000646105976 914260244 /nfs/dbraw/zinc/26/02/44/914260244.db2.gz NQJDZXIVPAEBDZ-SFHVURJKSA-N 2 1 379.342 3.623 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCCc3ccc(Br)cc31)CCO2 ZINC000646105976 914260262 /nfs/dbraw/zinc/26/02/62/914260262.db2.gz NQJDZXIVPAEBDZ-SFHVURJKSA-N 2 1 379.342 3.623 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001136635533 898663830 /nfs/dbraw/zinc/66/38/30/898663830.db2.gz QSMPDQIFSUEIHY-APWZRJJASA-N 2 1 379.976 3.977 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001136635533 898663835 /nfs/dbraw/zinc/66/38/35/898663835.db2.gz QSMPDQIFSUEIHY-APWZRJJASA-N 2 1 379.976 3.977 20 0 GHADMP Cc1cc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(C)C)cc1Cl ZINC000569476560 898697460 /nfs/dbraw/zinc/69/74/60/898697460.db2.gz YCLFALISWLCGHM-FBVQUNGASA-N 2 1 380.960 3.726 20 0 GHADMP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)N1CCc2ccccc2C1 ZINC001136677144 898846493 /nfs/dbraw/zinc/84/64/93/898846493.db2.gz FPDBSZBFZHMZLZ-FQEVSTJZSA-N 2 1 391.559 3.556 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc2)cc1 ZINC000570037765 899084401 /nfs/dbraw/zinc/08/44/01/899084401.db2.gz XOKZHBCSOJCDIQ-ZGFBMJKBSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc2)cc1 ZINC000570037765 899084419 /nfs/dbraw/zinc/08/44/19/899084419.db2.gz XOKZHBCSOJCDIQ-ZGFBMJKBSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823649529 899158542 /nfs/dbraw/zinc/15/85/42/899158542.db2.gz FLFPJSREXGBHNC-QGZVFWFLSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823649529 899158552 /nfs/dbraw/zinc/15/85/52/899158552.db2.gz FLFPJSREXGBHNC-QGZVFWFLSA-N 2 1 376.545 3.693 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(O)c1 ZINC000570219231 899203306 /nfs/dbraw/zinc/20/33/06/899203306.db2.gz JDPCXKPZAGYLFI-SIKLNZKXSA-N 2 1 380.532 3.972 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000646213061 914324724 /nfs/dbraw/zinc/32/47/24/914324724.db2.gz LPPFXIHWIRAOBP-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnc(Cl)c3F)CC2)cs1 ZINC000823877252 899300381 /nfs/dbraw/zinc/30/03/81/899300381.db2.gz YBGDBOHMIQJAIW-UHFFFAOYSA-N 2 1 382.936 3.895 20 0 GHADMP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000823949793 899310209 /nfs/dbraw/zinc/31/02/09/899310209.db2.gz UTGYRYVNDBUYBD-UMQXSMKFSA-N 2 1 397.563 3.836 20 0 GHADMP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000823949793 899310225 /nfs/dbraw/zinc/31/02/25/899310225.db2.gz UTGYRYVNDBUYBD-UMQXSMKFSA-N 2 1 397.563 3.836 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331985758 899319220 /nfs/dbraw/zinc/31/92/20/899319220.db2.gz VZIFYLAPYYDTBS-MSOLQXFVSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331985758 899319231 /nfs/dbraw/zinc/31/92/31/899319231.db2.gz VZIFYLAPYYDTBS-MSOLQXFVSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295044 914385510 /nfs/dbraw/zinc/38/55/10/914385510.db2.gz KPJLFNBRCZTMQU-ZAAXVRCTSA-N 2 1 381.923 3.651 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295044 914385524 /nfs/dbraw/zinc/38/55/24/914385524.db2.gz KPJLFNBRCZTMQU-ZAAXVRCTSA-N 2 1 381.923 3.651 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1C ZINC001137003113 900042543 /nfs/dbraw/zinc/04/25/43/900042543.db2.gz FFZQVGGAZLVPAW-UHFFFAOYSA-N 2 1 380.536 3.670 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000572170082 900087322 /nfs/dbraw/zinc/08/73/22/900087322.db2.gz FBSCNSKPDCMMEJ-LJQANCHMSA-N 2 1 394.437 3.658 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045622 900204446 /nfs/dbraw/zinc/20/44/46/900204446.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045622 900204458 /nfs/dbraw/zinc/20/44/58/900204458.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045622 900204466 /nfs/dbraw/zinc/20/44/66/900204466.db2.gz PKKCGIABJZDEMT-JXHRLWIKSA-N 2 1 375.520 3.690 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@H]([NH+]4CCCC4)C3)c2cc1Br ZINC000572513731 900210374 /nfs/dbraw/zinc/21/03/74/900210374.db2.gz CJWJSNCKJNNFQW-ZDUSSCGKSA-N 2 1 376.298 3.680 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000572839381 900288669 /nfs/dbraw/zinc/28/86/69/900288669.db2.gz KLHAZEZMXIQDJR-CBVHJVASSA-N 2 1 399.501 3.824 20 0 GHADMP CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000573813319 900643702 /nfs/dbraw/zinc/64/37/02/900643702.db2.gz NZRDTFYSXYZKCB-PKOBYXMFSA-N 2 1 385.552 3.851 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)c1F ZINC001143910058 900725273 /nfs/dbraw/zinc/72/52/73/900725273.db2.gz VTFHGGJELBOZCO-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1F ZINC001143910058 900725277 /nfs/dbraw/zinc/72/52/77/900725277.db2.gz VTFHGGJELBOZCO-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc2ccccc21 ZINC000886361665 900956456 /nfs/dbraw/zinc/95/64/56/900956456.db2.gz QHKSSKBMGZABMF-QFIPXVFZSA-N 2 1 375.520 3.623 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886521137 901117344 /nfs/dbraw/zinc/11/73/44/901117344.db2.gz VGIPWODLMRJBNC-IHPCNDPISA-N 2 1 381.486 3.656 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc2c(c1)CC(=O)N2C ZINC000886523161 901118931 /nfs/dbraw/zinc/11/89/31/901118931.db2.gz XXWXIWGTQIMTGC-IQWFGDOHSA-N 2 1 389.543 3.909 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886580404 901176386 /nfs/dbraw/zinc/17/63/86/901176386.db2.gz HZUGHKQOGMBHME-BDTNDASRSA-N 2 1 398.572 3.623 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(-n2ccnn2)c1 ZINC000576182149 901766680 /nfs/dbraw/zinc/76/66/80/901766680.db2.gz VRWUNQJEIJZGCU-IBGZPJMESA-N 2 1 375.520 3.625 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cnc21 ZINC000576197073 901794958 /nfs/dbraw/zinc/79/49/58/901794958.db2.gz UGXOSUJWYUFZMJ-FYYLOGMGSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cnc21 ZINC000576197073 901794966 /nfs/dbraw/zinc/79/49/66/901794966.db2.gz UGXOSUJWYUFZMJ-FYYLOGMGSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cnc21 ZINC000576197073 901794973 /nfs/dbraw/zinc/79/49/73/901794973.db2.gz UGXOSUJWYUFZMJ-FYYLOGMGSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cnc21 ZINC000576197073 901794984 /nfs/dbraw/zinc/79/49/84/901794984.db2.gz UGXOSUJWYUFZMJ-FYYLOGMGSA-N 2 1 389.547 3.966 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646497221 914566230 /nfs/dbraw/zinc/56/62/30/914566230.db2.gz TWFKFWISYXZWNO-KRWDZBQOSA-N 2 1 384.351 3.606 20 0 GHADMP Clc1ccc2c(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c[nH]c2n1 ZINC001144412442 902077540 /nfs/dbraw/zinc/07/75/40/902077540.db2.gz TUBBINWUWCJWKH-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccc2c(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c[nH]c2n1 ZINC001144412442 902077547 /nfs/dbraw/zinc/07/75/47/902077547.db2.gz TUBBINWUWCJWKH-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccc2c(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c[nH]c2n1 ZINC001144412442 902077556 /nfs/dbraw/zinc/07/75/56/902077556.db2.gz TUBBINWUWCJWKH-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccc2c(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c[nH]c2n1 ZINC001144412442 902077562 /nfs/dbraw/zinc/07/75/62/902077562.db2.gz TUBBINWUWCJWKH-AEFFLSMTSA-N 2 1 381.911 3.565 20 0 GHADMP CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000576675286 902180546 /nfs/dbraw/zinc/18/05/46/902180546.db2.gz NLMXLSWSYSWNCT-AUSIDOKSSA-N 2 1 394.563 3.634 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cc1F ZINC001144458684 902225895 /nfs/dbraw/zinc/22/58/95/902225895.db2.gz OCYNVXWJRLFYSB-UHFFFAOYSA-N 2 1 375.513 3.779 20 0 GHADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000646533740 914623565 /nfs/dbraw/zinc/62/35/65/914623565.db2.gz MEJWJYGPMPRXKZ-SFHVURJKSA-N 2 1 390.597 3.728 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000577008299 902425273 /nfs/dbraw/zinc/42/52/73/902425273.db2.gz DWYNDVOVMREKKF-OAQYLSRUSA-N 2 1 389.971 3.685 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000577008299 902425296 /nfs/dbraw/zinc/42/52/96/902425296.db2.gz DWYNDVOVMREKKF-OAQYLSRUSA-N 2 1 389.971 3.685 20 0 GHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cn2ccccc2n1 ZINC000577370747 902718281 /nfs/dbraw/zinc/71/82/81/902718281.db2.gz FCQUDZRKBJLRMI-OAQYLSRUSA-N 2 1 391.563 3.583 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000779018252 902938152 /nfs/dbraw/zinc/93/81/52/902938152.db2.gz KTEUKTWRZZPEGF-FNAHDJPLSA-N 2 1 399.579 3.996 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000600834215 902979731 /nfs/dbraw/zinc/97/97/31/902979731.db2.gz OZGSYLIRAREHRZ-MOPGFXCFSA-N 2 1 390.572 3.616 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000577864309 903284148 /nfs/dbraw/zinc/28/41/48/903284148.db2.gz HEWGRZYHIFWOJO-LJQANCHMSA-N 2 1 397.607 3.939 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccncc1F ZINC000577968656 903397058 /nfs/dbraw/zinc/39/70/58/903397058.db2.gz ZGOICDAYOQYQCH-QUCCMNQESA-N 2 1 383.511 3.800 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccncc1F ZINC000577968656 903397073 /nfs/dbraw/zinc/39/70/73/903397073.db2.gz ZGOICDAYOQYQCH-QUCCMNQESA-N 2 1 383.511 3.800 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([NH+]1CCC([NH3+])(Cc3ccccn3)CC1)CC2 ZINC001171301885 903744979 /nfs/dbraw/zinc/74/49/79/903744979.db2.gz RZEMFAXUTNYNNG-QGZVFWFLSA-N 2 1 385.939 3.637 20 0 GHADMP CC(C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[NH+]1CCC(C)CC1 ZINC000646668612 914759427 /nfs/dbraw/zinc/75/94/27/914759427.db2.gz AKWLOJKKRRDAJI-HSZRJFAPSA-N 2 1 396.579 3.642 20 0 GHADMP CC(C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[NH+]1CCC(C)CC1 ZINC000646668612 914759442 /nfs/dbraw/zinc/75/94/42/914759442.db2.gz AKWLOJKKRRDAJI-HSZRJFAPSA-N 2 1 396.579 3.642 20 0 GHADMP Cn1c(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nnc1-c1ccccc1 ZINC000578653016 904029905 /nfs/dbraw/zinc/02/99/05/904029905.db2.gz DTIPYWGRNNAILL-YADHBBJMSA-N 2 1 389.547 3.654 20 0 GHADMP Cn1c(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nnc1-c1ccccc1 ZINC000578653016 904029915 /nfs/dbraw/zinc/02/99/15/904029915.db2.gz DTIPYWGRNNAILL-YADHBBJMSA-N 2 1 389.547 3.654 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(OC)c(O)c3)CC2)cs1 ZINC000578684761 904050662 /nfs/dbraw/zinc/05/06/62/904050662.db2.gz UTRPMCMSDCZLQV-HNNXBMFYSA-N 2 1 389.565 3.983 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171370404 904371885 /nfs/dbraw/zinc/37/18/85/904371885.db2.gz JXWQCUCKZQDMMB-QZTJIDSGSA-N 2 1 378.507 3.834 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]21 ZINC000579474135 904633781 /nfs/dbraw/zinc/63/37/81/904633781.db2.gz GEZSNHIWAZMWGF-RRQGHBQHSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(Br)cc4)n3)C[C@@H]21 ZINC000579474135 904633790 /nfs/dbraw/zinc/63/37/90/904633790.db2.gz GEZSNHIWAZMWGF-RRQGHBQHSA-N 2 1 376.298 3.663 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604870 904866599 /nfs/dbraw/zinc/86/65/99/904866599.db2.gz IDWRROXGHVXNBL-XWSJACJDSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604870 904866617 /nfs/dbraw/zinc/86/66/17/904866617.db2.gz IDWRROXGHVXNBL-XWSJACJDSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171604870 904866621 /nfs/dbraw/zinc/86/66/21/904866621.db2.gz IDWRROXGHVXNBL-XWSJACJDSA-N 2 1 379.589 3.684 20 0 GHADMP [NH3+]CCCC[NH+]1CCN(C2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001171649557 904894822 /nfs/dbraw/zinc/89/48/22/904894822.db2.gz BHMIZGVYWPNDJZ-UHFFFAOYSA-N 2 1 394.401 3.832 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(C1CC(C)(C)[NH+](C)C(C)(C)C1)CC2 ZINC001171634501 904921732 /nfs/dbraw/zinc/92/17/32/904921732.db2.gz CHLZFIJBLJWJAR-UHFFFAOYSA-N 2 1 375.605 3.535 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)C[C@@](C)(O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001171635875 904924178 /nfs/dbraw/zinc/92/41/78/904924178.db2.gz HVYRCQGXESPDQD-JXALWOEJSA-N 2 1 382.548 3.635 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)C[C@@](C)(O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001171635875 904924183 /nfs/dbraw/zinc/92/41/83/904924183.db2.gz HVYRCQGXESPDQD-JXALWOEJSA-N 2 1 382.548 3.635 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)C[C@@](C)(O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001171635875 904924187 /nfs/dbraw/zinc/92/41/87/904924187.db2.gz HVYRCQGXESPDQD-JXALWOEJSA-N 2 1 382.548 3.635 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN(C4CC(C)(C)[NH+](C)C(C)(C)C4)CC[N@H+]3C2)cc1 ZINC001171638226 904927533 /nfs/dbraw/zinc/92/75/33/904927533.db2.gz XSWPKMVTWWPTLL-DENIHFKCSA-N 2 1 385.596 3.784 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000779161787 904948502 /nfs/dbraw/zinc/94/85/02/904948502.db2.gz OFOSOTKCDVVNGG-FPOVZHCZSA-N 2 1 387.568 3.744 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)C1)[C@H]2C ZINC001171753053 904982527 /nfs/dbraw/zinc/98/25/27/904982527.db2.gz SPWYVEDFDVRFLW-RZUBCFFCSA-N 2 1 395.595 3.763 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)[C@H]2C ZINC001171753053 904982532 /nfs/dbraw/zinc/98/25/32/904982532.db2.gz SPWYVEDFDVRFLW-RZUBCFFCSA-N 2 1 395.595 3.763 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)[C@H]2C ZINC001171753053 904982535 /nfs/dbraw/zinc/98/25/35/904982535.db2.gz SPWYVEDFDVRFLW-RZUBCFFCSA-N 2 1 395.595 3.763 20 0 GHADMP Cc1nc(C[NH+]2CCC3(CN([C@@H]4C[C@H](C)[N@@H+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755594 904988054 /nfs/dbraw/zinc/98/80/54/904988054.db2.gz MZECEXMAKRQKFV-PGRDOPGGSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[NH+]2CCC3(CN([C@@H]4C[C@H](C)[N@H+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755594 904988059 /nfs/dbraw/zinc/98/80/59/904988059.db2.gz MZECEXMAKRQKFV-PGRDOPGGSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[N@H+]2CCC3(CN([C@@H]4C[C@H](C)[NH+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755594 904988076 /nfs/dbraw/zinc/98/80/76/904988076.db2.gz MZECEXMAKRQKFV-PGRDOPGGSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[N@@H+]2CCC3(CN([C@@H]4C[C@H](C)[NH+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755594 904988091 /nfs/dbraw/zinc/98/80/91/904988091.db2.gz MZECEXMAKRQKFV-PGRDOPGGSA-N 2 1 396.604 3.622 20 0 GHADMP C[C@H]1C[C@H](N2C[C@H]3CC[NH+](Cc4ccccc4)[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767390 905007842 /nfs/dbraw/zinc/00/78/42/905007842.db2.gz NJLHZZDVVMSKHZ-PQVVKJAFSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@H]1C[C@H](N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767390 905007861 /nfs/dbraw/zinc/00/78/61/905007861.db2.gz NJLHZZDVVMSKHZ-PQVVKJAFSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@H]1C[C@H](N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767390 905007874 /nfs/dbraw/zinc/00/78/74/905007874.db2.gz NJLHZZDVVMSKHZ-PQVVKJAFSA-N 2 1 375.560 3.856 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)c1ccccc1 ZINC001171791444 905049741 /nfs/dbraw/zinc/04/97/41/905049741.db2.gz KSWGZRKTWIGGLV-JTHBVZDNSA-N 2 1 397.538 3.642 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F)c1ccccc1 ZINC001171791444 905049759 /nfs/dbraw/zinc/04/97/59/905049759.db2.gz KSWGZRKTWIGGLV-JTHBVZDNSA-N 2 1 397.538 3.642 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]21 ZINC001171801014 905061461 /nfs/dbraw/zinc/06/14/61/905061461.db2.gz GAKOKEVSOBGEOV-HJBWUJCXSA-N 2 1 379.523 3.920 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]21 ZINC001171801014 905061480 /nfs/dbraw/zinc/06/14/80/905061480.db2.gz GAKOKEVSOBGEOV-HJBWUJCXSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]21 ZINC001171801014 905061498 /nfs/dbraw/zinc/06/14/98/905061498.db2.gz GAKOKEVSOBGEOV-HJBWUJCXSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3Cc4cccc(F)c4C3)C[C@@H]21 ZINC001171801014 905061516 /nfs/dbraw/zinc/06/15/16/905061516.db2.gz GAKOKEVSOBGEOV-HJBWUJCXSA-N 2 1 379.523 3.920 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001171917356 905147679 /nfs/dbraw/zinc/14/76/79/905147679.db2.gz UGFPPZZKSDAZHV-UHFFFAOYSA-N 2 1 376.516 3.976 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2cncn2C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171975305 905220319 /nfs/dbraw/zinc/22/03/19/905220319.db2.gz DLVJUOMXYOOMPT-HXUWFJFHSA-N 2 1 382.552 3.767 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2cncn2C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001171975305 905220339 /nfs/dbraw/zinc/22/03/39/905220339.db2.gz DLVJUOMXYOOMPT-HXUWFJFHSA-N 2 1 382.552 3.767 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CC2CCN(c3ccncn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978550 905226152 /nfs/dbraw/zinc/22/61/52/905226152.db2.gz HSTLLXFCSHZNHJ-QFIPXVFZSA-N 2 1 393.579 3.726 20 0 GHADMP CN(C)C(=O)c1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171980964 905230623 /nfs/dbraw/zinc/23/06/23/905230623.db2.gz YLPCNWUPRWCLOU-QHCPKHFHSA-N 2 1 393.575 3.964 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171980207 905230672 /nfs/dbraw/zinc/23/06/72/905230672.db2.gz PRPGGULBOFQGBW-FCHUYYIVSA-N 2 1 383.580 3.810 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171981730 905234209 /nfs/dbraw/zinc/23/42/09/905234209.db2.gz CSKAZAYZMZBZOY-OAQYLSRUSA-N 2 1 383.536 3.640 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC001171981730 905234226 /nfs/dbraw/zinc/23/42/26/905234226.db2.gz CSKAZAYZMZBZOY-OAQYLSRUSA-N 2 1 383.536 3.640 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985493 905244027 /nfs/dbraw/zinc/24/40/27/905244027.db2.gz XENBKEMEJRMZIQ-FCHUYYIVSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985493 905244044 /nfs/dbraw/zinc/24/40/44/905244044.db2.gz XENBKEMEJRMZIQ-FCHUYYIVSA-N 2 1 383.580 3.764 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985493 905244061 /nfs/dbraw/zinc/24/40/61/905244061.db2.gz XENBKEMEJRMZIQ-FCHUYYIVSA-N 2 1 383.580 3.764 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071931 905276464 /nfs/dbraw/zinc/27/64/64/905276464.db2.gz JMTDMKPJYTXTDF-WTEVXDJOSA-N 2 1 392.543 3.832 20 0 GHADMP COc1ccc(C[C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172072903 905277256 /nfs/dbraw/zinc/27/72/56/905277256.db2.gz NWKALNYFPKUVOQ-JLLPCOHGSA-N 2 1 394.559 3.774 20 0 GHADMP O=C([C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074176 905282372 /nfs/dbraw/zinc/28/23/72/905282372.db2.gz GBGVPTIKUQQREZ-JLLPCOHGSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074176 905282391 /nfs/dbraw/zinc/28/23/91/905282391.db2.gz GBGVPTIKUQQREZ-JLLPCOHGSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074176 905282406 /nfs/dbraw/zinc/28/24/06/905282406.db2.gz GBGVPTIKUQQREZ-JLLPCOHGSA-N 2 1 395.591 3.907 20 0 GHADMP FC1(F)CN(C2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1 ZINC001172075039 905283647 /nfs/dbraw/zinc/28/36/47/905283647.db2.gz NMQKXAZRBAWNHZ-ZBYYUNFXSA-N 2 1 389.534 3.987 20 0 GHADMP CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172080402 905294313 /nfs/dbraw/zinc/29/43/13/905294313.db2.gz VLBXVVRTVKMUSZ-XQUALCHDSA-N 2 1 399.623 3.909 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N(c2cnccn2)C2CC[NH2+]CC2)C3)cc1 ZINC001172086745 905302655 /nfs/dbraw/zinc/30/26/55/905302655.db2.gz IIWUTBRKVIRQJJ-JKHIJQBDSA-N 2 1 391.563 3.621 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+]C2CCN(c4ncccn4)CC2)C3)cc1 ZINC001172063386 905327581 /nfs/dbraw/zinc/32/75/81/905327581.db2.gz YYKSSCOJZVUHOQ-WBDAEOGXSA-N 2 1 391.563 3.621 20 0 GHADMP [NH3+]C[C@@H]1Cc2ccccc2CN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065912 905332604 /nfs/dbraw/zinc/33/26/04/905332604.db2.gz BIYQERSDPYDNSX-NDBXHCKUSA-N 2 1 375.560 3.958 20 0 GHADMP O=C(C1CCC1)N1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067634 905333850 /nfs/dbraw/zinc/33/38/50/905333850.db2.gz RCMVTGWAGSDXSH-BKFWDETESA-N 2 1 395.591 3.953 20 0 GHADMP CCC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067619 905335062 /nfs/dbraw/zinc/33/50/62/905335062.db2.gz QRQQQZMOSMVSNF-WBDAEOGXSA-N 2 1 383.580 3.810 20 0 GHADMP OC[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001172069591 905339305 /nfs/dbraw/zinc/33/93/05/905339305.db2.gz RMLFISZVUBRUFF-OBKDMQGPSA-N 2 1 382.470 3.675 20 0 GHADMP OC[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001172069591 905339322 /nfs/dbraw/zinc/33/93/22/905339322.db2.gz RMLFISZVUBRUFF-OBKDMQGPSA-N 2 1 382.470 3.675 20 0 GHADMP OC[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001172069591 905339343 /nfs/dbraw/zinc/33/93/43/905339343.db2.gz RMLFISZVUBRUFF-OBKDMQGPSA-N 2 1 382.470 3.675 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110466 905355160 /nfs/dbraw/zinc/35/51/60/905355160.db2.gz NJVRAMSHCCUCRT-LRSLUSHPSA-N 2 1 399.579 3.953 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC1)C2 ZINC001172120451 905378945 /nfs/dbraw/zinc/37/89/45/905378945.db2.gz KYTFOEFVCGVLQI-RZIOSVHNSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC1)C2 ZINC001172120451 905378962 /nfs/dbraw/zinc/37/89/62/905378962.db2.gz KYTFOEFVCGVLQI-RZIOSVHNSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3CC1)C2 ZINC001172120451 905378980 /nfs/dbraw/zinc/37/89/80/905378980.db2.gz KYTFOEFVCGVLQI-RZIOSVHNSA-N 2 1 377.573 3.581 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccc(Br)cc3)CC1)C2 ZINC001172120373 905380455 /nfs/dbraw/zinc/38/04/55/905380455.db2.gz KMQFXWYBHPRTJN-BWTSREIZSA-N 2 1 393.369 3.748 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(O)(c3ccc(Br)cc3)CC1)C2 ZINC001172120373 905380472 /nfs/dbraw/zinc/38/04/72/905380472.db2.gz KMQFXWYBHPRTJN-BWTSREIZSA-N 2 1 393.369 3.748 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121104 905380747 /nfs/dbraw/zinc/38/07/47/905380747.db2.gz OSSDPDDZHRWQCV-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121104 905380758 /nfs/dbraw/zinc/38/07/58/905380758.db2.gz OSSDPDDZHRWQCV-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121104 905380768 /nfs/dbraw/zinc/38/07/68/905380768.db2.gz OSSDPDDZHRWQCV-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CSc4ccccc4C3)cc2)CC1 ZINC001172187542 905388578 /nfs/dbraw/zinc/38/85/78/905388578.db2.gz MSZFMLFQBYEMLP-JOCHJYFZSA-N 2 1 381.589 3.631 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172168679 905394707 /nfs/dbraw/zinc/39/47/07/905394707.db2.gz CHVXJWTXBXVUFY-UAFMIMERSA-N 2 1 375.944 3.565 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@@H]4CCN5C(=O)CC[C@@H]5C4)CC3)C2)cc1 ZINC001172172509 905395671 /nfs/dbraw/zinc/39/56/71/905395671.db2.gz FHGYDKSQXRHTIR-DHIUTWEWSA-N 2 1 395.591 3.826 20 0 GHADMP O=C1CC[C@@H]2C[C@H]([N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)CCN12 ZINC001172182127 905398162 /nfs/dbraw/zinc/39/81/62/905398162.db2.gz JULHACHGCWODKW-FGZHOGPDSA-N 2 1 381.564 3.518 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC001172216578 905420780 /nfs/dbraw/zinc/42/07/80/905420780.db2.gz WTMKKQFRPKPIMU-NJEKYYFSSA-N 2 1 390.955 3.721 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC001172216578 905420782 /nfs/dbraw/zinc/42/07/82/905420782.db2.gz WTMKKQFRPKPIMU-NJEKYYFSSA-N 2 1 390.955 3.721 20 0 GHADMP COCCCN1CCC([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172249813 905447838 /nfs/dbraw/zinc/44/78/38/905447838.db2.gz QAWIQQFXDALHCE-MEMLXQNLSA-N 2 1 394.003 3.913 20 0 GHADMP COCCC[NH+]1CCC([N@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172249813 905447853 /nfs/dbraw/zinc/44/78/53/905447853.db2.gz QAWIQQFXDALHCE-MEMLXQNLSA-N 3 1 394.003 3.913 20 0 GHADMP COCCC[NH+]1CCC([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172249813 905447865 /nfs/dbraw/zinc/44/78/65/905447865.db2.gz QAWIQQFXDALHCE-MEMLXQNLSA-N 3 1 394.003 3.913 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC(c3nc(-c4ccc(C)cc4)no3)CC2)CC1 ZINC001172253517 905448270 /nfs/dbraw/zinc/44/82/70/905448270.db2.gz SKIQGFYJGRGKJN-UHFFFAOYSA-N 2 1 398.551 3.725 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001172342426 905507167 /nfs/dbraw/zinc/50/71/67/905507167.db2.gz YXBLLHTXJSWKEQ-RTWAWAEBSA-N 2 1 389.584 3.590 20 0 GHADMP CC(C)COCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001172469083 905550466 /nfs/dbraw/zinc/55/04/66/905550466.db2.gz ZNSUPTWOEKDEBB-NKKJXINNSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172469083 905550476 /nfs/dbraw/zinc/55/04/76/905550476.db2.gz ZNSUPTWOEKDEBB-NKKJXINNSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001172469083 905550484 /nfs/dbraw/zinc/55/04/84/905550484.db2.gz ZNSUPTWOEKDEBB-NKKJXINNSA-N 2 1 392.628 3.898 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175637328 905616328 /nfs/dbraw/zinc/61/63/28/905616328.db2.gz AKZYFOOZNINZMM-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP c1cnn(Cc2cnc3n2CC[N@@H+]([C@@H]2CCC[C@@H](c4ccccc4)C2)CC3)c1 ZINC001172544149 905649111 /nfs/dbraw/zinc/64/91/11/905649111.db2.gz RMLDGSLZHQQACP-NHCUHLMSSA-N 2 1 375.520 3.712 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)C1 ZINC001172616167 905673698 /nfs/dbraw/zinc/67/36/98/905673698.db2.gz NVFVJVKYJBXGKJ-ZWKOTPCHSA-N 2 1 376.566 3.768 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC4(CCCC4)CC3)CC[C@@H]21 ZINC001172725598 905773722 /nfs/dbraw/zinc/77/37/22/905773722.db2.gz FYWLMFCFHVPKEH-HJNYFJLDSA-N 2 1 385.600 3.954 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](C3CCC4(CCCC4)CC3)CC[C@@H]21 ZINC001172725598 905773730 /nfs/dbraw/zinc/77/37/30/905773730.db2.gz FYWLMFCFHVPKEH-HJNYFJLDSA-N 2 1 385.600 3.954 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC4(CCCC4)CC3)CC[C@@H]21 ZINC001172725598 905773738 /nfs/dbraw/zinc/77/37/38/905773738.db2.gz FYWLMFCFHVPKEH-HJNYFJLDSA-N 2 1 385.600 3.954 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC4(CCCC4)CC3)CC[C@@H]21 ZINC001172725598 905773748 /nfs/dbraw/zinc/77/37/48/905773748.db2.gz FYWLMFCFHVPKEH-HJNYFJLDSA-N 2 1 385.600 3.954 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001172942689 906010230 /nfs/dbraw/zinc/01/02/30/906010230.db2.gz AXYBAZWLJYHMQS-QUCCMNQESA-N 2 1 375.557 3.744 20 0 GHADMP C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173064598 906143132 /nfs/dbraw/zinc/14/31/32/906143132.db2.gz HCFQIUROKNUHAQ-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP CC[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)OC(C)(C)C ZINC000190592404 906168097 /nfs/dbraw/zinc/16/80/97/906168097.db2.gz TWIBGSVEGRZOAH-HXUWFJFHSA-N 2 1 375.557 3.997 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCc3ncsc3C2)c1 ZINC001173131131 906213236 /nfs/dbraw/zinc/21/32/36/906213236.db2.gz IPLUALVCPPYPJE-GUDVDZBRSA-N 2 1 399.560 3.559 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCc3ncsc3C2)c1 ZINC001173131128 906213377 /nfs/dbraw/zinc/21/33/77/906213377.db2.gz IPLUALVCPPYPJE-FHWLQOOXSA-N 2 1 399.560 3.559 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1)CO2 ZINC001173165030 906222513 /nfs/dbraw/zinc/22/25/13/906222513.db2.gz BFJCJPTYLXMZOP-HXUWFJFHSA-N 2 1 384.495 3.734 20 0 GHADMP COc1cccc2c1C[C@@H](N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)CO2 ZINC001173165030 906222526 /nfs/dbraw/zinc/22/25/26/906222526.db2.gz BFJCJPTYLXMZOP-HXUWFJFHSA-N 2 1 384.495 3.734 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139564 906226533 /nfs/dbraw/zinc/22/65/33/906226533.db2.gz USBXANGALUETIT-XLBJILASSA-N 2 1 382.577 3.628 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139564 906226547 /nfs/dbraw/zinc/22/65/47/906226547.db2.gz USBXANGALUETIT-XLBJILASSA-N 2 1 382.577 3.628 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139564 906226561 /nfs/dbraw/zinc/22/65/61/906226561.db2.gz USBXANGALUETIT-XLBJILASSA-N 2 1 382.577 3.628 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139564 906226574 /nfs/dbraw/zinc/22/65/74/906226574.db2.gz USBXANGALUETIT-XLBJILASSA-N 2 1 382.577 3.628 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ncsc4C3)C[C@H]21 ZINC001173139564 906226588 /nfs/dbraw/zinc/22/65/88/906226588.db2.gz USBXANGALUETIT-XLBJILASSA-N 2 1 382.577 3.628 20 0 GHADMP CCSC[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001173303190 906360995 /nfs/dbraw/zinc/36/09/95/906360995.db2.gz FLMCUXRVWYRLBV-GOSISDBHSA-N 2 1 378.582 3.504 20 0 GHADMP CCSC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001173303190 906361005 /nfs/dbraw/zinc/36/10/05/906361005.db2.gz FLMCUXRVWYRLBV-GOSISDBHSA-N 2 1 378.582 3.504 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000365912379 921245147 /nfs/dbraw/zinc/24/51/47/921245147.db2.gz OZDKUVMTORATLT-UHFFFAOYSA-N 2 1 377.960 3.608 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001173655322 906641050 /nfs/dbraw/zinc/64/10/50/906641050.db2.gz YQURSGKXMUQVAC-YURREKQKSA-N 2 1 390.527 3.685 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173714044 906664356 /nfs/dbraw/zinc/66/43/56/906664356.db2.gz IXRXXRGFVBRVGF-HSQYWUDLSA-N 2 1 381.520 3.571 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001173732900 906673371 /nfs/dbraw/zinc/67/33/71/906673371.db2.gz ZKZRFJLXZOXGPN-KNQAVFIVSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001173732900 906673378 /nfs/dbraw/zinc/67/33/78/906673378.db2.gz ZKZRFJLXZOXGPN-KNQAVFIVSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001173732900 906673385 /nfs/dbraw/zinc/67/33/85/906673385.db2.gz ZKZRFJLXZOXGPN-KNQAVFIVSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001173732901 906673968 /nfs/dbraw/zinc/67/39/68/906673968.db2.gz ZKZRFJLXZOXGPN-SIKLNZKXSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001173732901 906673978 /nfs/dbraw/zinc/67/39/78/906673978.db2.gz ZKZRFJLXZOXGPN-SIKLNZKXSA-N 2 1 380.532 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001173732901 906673988 /nfs/dbraw/zinc/67/39/88/906673988.db2.gz ZKZRFJLXZOXGPN-SIKLNZKXSA-N 2 1 380.532 3.858 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OCc1cccnc1 ZINC000180734137 906831739 /nfs/dbraw/zinc/83/17/39/906831739.db2.gz DGNXUXJSAXUCFM-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OCc1cccnc1 ZINC000180734137 906831750 /nfs/dbraw/zinc/83/17/50/906831750.db2.gz DGNXUXJSAXUCFM-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCc1cccnc1 ZINC000180734137 906831765 /nfs/dbraw/zinc/83/17/65/906831765.db2.gz DGNXUXJSAXUCFM-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OCc1cccnc1 ZINC000180734137 906831773 /nfs/dbraw/zinc/83/17/73/906831773.db2.gz DGNXUXJSAXUCFM-RTWAWAEBSA-N 2 1 381.520 3.585 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629518210 906847312 /nfs/dbraw/zinc/84/73/12/906847312.db2.gz GHCXVZWPUKCZFT-PNTFMKQHSA-N 2 1 399.538 3.932 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1C(F)(F)F ZINC000629563698 906870604 /nfs/dbraw/zinc/87/06/04/906870604.db2.gz FFKLQBJVXJGOFA-NVXWUHKLSA-N 2 1 379.426 3.628 20 0 GHADMP CCCN(C)c1ccccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000629593638 906886265 /nfs/dbraw/zinc/88/62/65/906886265.db2.gz SODSLZWOKRHJDJ-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCOCC1 ZINC000629652715 906929364 /nfs/dbraw/zinc/92/93/64/906929364.db2.gz ATXDMVSZYZQRQY-UHFFFAOYSA-N 2 1 396.922 3.790 20 0 GHADMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)nc2)cc1 ZINC000629702229 906972181 /nfs/dbraw/zinc/97/21/81/906972181.db2.gz KJVWPSRAFKSXLY-DYESRHJHSA-N 2 1 378.520 3.671 20 0 GHADMP Cc1nc([C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000182955793 907301062 /nfs/dbraw/zinc/30/10/62/907301062.db2.gz OYYCXEXXNKGPCW-KRWDZBQOSA-N 2 1 390.959 3.934 20 0 GHADMP Cc1nc([C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000182955776 907301340 /nfs/dbraw/zinc/30/13/40/907301340.db2.gz OYYCXEXXNKGPCW-QGZVFWFLSA-N 2 1 390.959 3.934 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)[C@]34C[C@H]3CCCC4)CC2)cc1 ZINC001175292822 907464928 /nfs/dbraw/zinc/46/49/28/907464928.db2.gz PYRUPRPVMJGILM-BKULYWANSA-N 2 1 383.580 3.588 20 0 GHADMP COc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001175507856 907596003 /nfs/dbraw/zinc/59/60/03/907596003.db2.gz XMJZUVJXLKCWMR-UHFFFAOYSA-N 2 1 392.547 3.649 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707789 907819944 /nfs/dbraw/zinc/81/99/44/907819944.db2.gz GPLGRWNAPDLBJR-LSDHHAIUSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707789 907819957 /nfs/dbraw/zinc/81/99/57/907819957.db2.gz GPLGRWNAPDLBJR-LSDHHAIUSA-N 2 1 383.458 3.887 20 0 GHADMP C[NH+]1CCC(c2ccc(Nc3cccc(C(=O)N4CC[NH+](C)CC4)c3)cc2)CC1 ZINC001175925258 907832640 /nfs/dbraw/zinc/83/26/40/907832640.db2.gz IKJMNYXDRXGFIG-UHFFFAOYSA-N 2 1 392.547 3.627 20 0 GHADMP C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000186658472 907962691 /nfs/dbraw/zinc/96/26/91/907962691.db2.gz FPSLSNOXFZSQPJ-UZUQRXQVSA-N 2 1 396.510 3.940 20 0 GHADMP C[NH+](C)CCOc1ccc(Nc2cc[nH+]c(CNC(=O)OC(C)(C)C)c2)cc1 ZINC001176223826 907993900 /nfs/dbraw/zinc/99/39/00/907993900.db2.gz KTLMIYVYZVHBBU-UHFFFAOYSA-N 2 1 386.496 3.790 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000633073962 908206829 /nfs/dbraw/zinc/20/68/29/908206829.db2.gz ZBLPDEJEDKLSHX-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH2+][C@@H]1CCOC12CCOCC2)c1ccccc1 ZINC001176833179 908270783 /nfs/dbraw/zinc/27/07/83/908270783.db2.gz SPPDZMKSGARODH-BJKOFHAPSA-N 2 1 394.559 3.830 20 0 GHADMP C[N@@H+](CCC(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1)C1CCCCC1 ZINC001177215904 908469173 /nfs/dbraw/zinc/46/91/73/908469173.db2.gz IBGDIDBJMBGDLV-QPPBQGQZSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)C1CCCCC1 ZINC001177215904 908469184 /nfs/dbraw/zinc/46/91/84/908469184.db2.gz IBGDIDBJMBGDLV-QPPBQGQZSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)C1CCCCC1 ZINC001177215904 908469193 /nfs/dbraw/zinc/46/91/93/908469193.db2.gz IBGDIDBJMBGDLV-QPPBQGQZSA-N 2 1 383.580 3.622 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191181893 908590719 /nfs/dbraw/zinc/59/07/19/908590719.db2.gz RUXPXEUPIRVZET-LJQANCHMSA-N 2 1 383.584 3.761 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CC(=O)Nc3ccccc3)CC2)oc1C ZINC001177663853 908687219 /nfs/dbraw/zinc/68/72/19/908687219.db2.gz IDHNPNISRQFOCW-MRXNPFEDSA-N 2 1 384.524 3.510 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001177910438 908795904 /nfs/dbraw/zinc/79/59/04/908795904.db2.gz APNYVPJKTGFZKT-DQEYMECFSA-N 2 1 387.527 3.721 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001177910438 908795915 /nfs/dbraw/zinc/79/59/15/908795915.db2.gz APNYVPJKTGFZKT-DQEYMECFSA-N 2 1 387.527 3.721 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cn4ccnc4s3)cc2)C[C@H]1C ZINC001178352085 909011805 /nfs/dbraw/zinc/01/18/05/909011805.db2.gz WIRYKZMWQLPNHJ-HDICACEKSA-N 2 1 398.576 3.695 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000637372849 909795930 /nfs/dbraw/zinc/79/59/30/909795930.db2.gz IWBJSSUPDUGORW-YSSFQJQWSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000637372849 909795941 /nfs/dbraw/zinc/79/59/41/909795941.db2.gz IWBJSSUPDUGORW-YSSFQJQWSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000637372849 909795951 /nfs/dbraw/zinc/79/59/51/909795951.db2.gz IWBJSSUPDUGORW-YSSFQJQWSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000637372849 909795960 /nfs/dbraw/zinc/79/59/60/909795960.db2.gz IWBJSSUPDUGORW-YSSFQJQWSA-N 2 1 396.526 3.517 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(COc2ccccc2)c1 ZINC001179925998 909809518 /nfs/dbraw/zinc/80/95/18/909809518.db2.gz VNFAASQAYTXCJK-JRFVFWCSSA-N 2 1 380.532 3.949 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000245667506 909816328 /nfs/dbraw/zinc/81/63/28/909816328.db2.gz BPZPNQIQGWZNSS-UAFMIMERSA-N 2 1 379.589 3.876 20 0 GHADMP CC[N@@H+](CCc1ccccn1)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001180174942 909976377 /nfs/dbraw/zinc/97/63/77/909976377.db2.gz PKWTUGRNKGUAKE-UHFFFAOYSA-N 2 1 377.435 3.529 20 0 GHADMP COc1ccc([C@H](C)N(C)C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000637905785 909999619 /nfs/dbraw/zinc/99/96/19/909999619.db2.gz PPKOWDYCGHTTOK-IBGZPJMESA-N 2 1 395.547 3.598 20 0 GHADMP COc1ccc(SCC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001180311036 910063708 /nfs/dbraw/zinc/06/37/08/910063708.db2.gz WLYVGGCXLWIEIG-HXUWFJFHSA-N 2 1 386.561 3.534 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268926063 910072260 /nfs/dbraw/zinc/07/22/60/910072260.db2.gz WFIWIAHCTQMKHY-XXBNENTESA-N 2 1 379.548 3.574 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268926063 910072271 /nfs/dbraw/zinc/07/22/71/910072271.db2.gz WFIWIAHCTQMKHY-XXBNENTESA-N 2 1 379.548 3.574 20 0 GHADMP O=c1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178205 910075262 /nfs/dbraw/zinc/07/52/62/910075262.db2.gz NSXKDCHLGNSYPY-UYAOXDASSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178205 910075279 /nfs/dbraw/zinc/07/52/79/910075279.db2.gz NSXKDCHLGNSYPY-UYAOXDASSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178205 910075290 /nfs/dbraw/zinc/07/52/90/910075290.db2.gz NSXKDCHLGNSYPY-UYAOXDASSA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178205 910075304 /nfs/dbraw/zinc/07/53/04/910075304.db2.gz NSXKDCHLGNSYPY-UYAOXDASSA-N 2 1 387.474 3.730 20 0 GHADMP C[NH2+][C@@]12CC[C@@](NC(=O)[C@H](c3ccc(Cl)cc3)[NH+]3CCCC3)(C1)CCC2 ZINC001274459538 910130575 /nfs/dbraw/zinc/13/05/75/910130575.db2.gz WFKSDVDVFNBSSP-SESVDKBCSA-N 2 1 375.944 3.658 20 0 GHADMP CCCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](Cc2ccccc2)CC1 ZINC001180680806 910301621 /nfs/dbraw/zinc/30/16/21/910301621.db2.gz BGVGFOPYRQIWHO-FYYLOGMGSA-N 2 1 383.580 3.907 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639313448 910384669 /nfs/dbraw/zinc/38/46/69/910384669.db2.gz UEMMKSHMIOZGFP-QTGUNEKASA-N 2 1 377.532 3.720 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639313448 910384685 /nfs/dbraw/zinc/38/46/85/910384685.db2.gz UEMMKSHMIOZGFP-QTGUNEKASA-N 2 1 377.532 3.720 20 0 GHADMP Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cs2)cc1 ZINC000639758511 910649236 /nfs/dbraw/zinc/64/92/36/910649236.db2.gz VTXRSAGUKPKRRZ-UHFFFAOYSA-N 2 1 398.576 3.550 20 0 GHADMP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cs2)cc1 ZINC000639758511 910649242 /nfs/dbraw/zinc/64/92/42/910649242.db2.gz VTXRSAGUKPKRRZ-UHFFFAOYSA-N 2 1 398.576 3.550 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(CC[NH+]2CCC(CC)([NH+]3CCCC3)CC2)CC1 ZINC000639986092 910766750 /nfs/dbraw/zinc/76/67/50/910766750.db2.gz IXCSQLZDRVFGOF-UHFFFAOYSA-N 3 1 390.660 3.667 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC001181489456 910792058 /nfs/dbraw/zinc/79/20/58/910792058.db2.gz ZWZPVSGJVZRBMS-GOSISDBHSA-N 2 1 384.520 3.711 20 0 GHADMP CC[NH+](CC)CCC[N@H+](CC)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001181506011 910807883 /nfs/dbraw/zinc/80/78/83/910807883.db2.gz MNPWVVLUGUXDFP-MRXNPFEDSA-N 2 1 377.520 3.685 20 0 GHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001181506011 910807893 /nfs/dbraw/zinc/80/78/93/910807893.db2.gz MNPWVVLUGUXDFP-MRXNPFEDSA-N 2 1 377.520 3.685 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000271502224 910932407 /nfs/dbraw/zinc/93/24/07/910932407.db2.gz MEVCIYBFKCOFNH-QDSKXPNFSA-N 2 1 391.559 3.535 20 0 GHADMP C[N@@H+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC001182036377 911139592 /nfs/dbraw/zinc/13/95/92/911139592.db2.gz AJPUSUOIWFBYPV-XMMPIXPASA-N 2 1 391.559 3.804 20 0 GHADMP C[N@H+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC001182036377 911139600 /nfs/dbraw/zinc/13/96/00/911139600.db2.gz AJPUSUOIWFBYPV-XMMPIXPASA-N 2 1 391.559 3.804 20 0 GHADMP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)s2)cn1 ZINC000509526635 911338910 /nfs/dbraw/zinc/33/89/10/911338910.db2.gz LJJDOVTZQLZWDN-UHFFFAOYSA-N 2 1 380.561 3.945 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001182317641 911446904 /nfs/dbraw/zinc/44/69/04/911446904.db2.gz QCFVWEBIFMXXJD-YADHBBJMSA-N 2 1 393.531 3.590 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001182317641 911446910 /nfs/dbraw/zinc/44/69/10/911446910.db2.gz QCFVWEBIFMXXJD-YADHBBJMSA-N 2 1 393.531 3.590 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000641728816 911496902 /nfs/dbraw/zinc/49/69/02/911496902.db2.gz ZQKBFDZJLNRNQF-APWZRJJASA-N 2 1 378.442 3.855 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000641728816 911496904 /nfs/dbraw/zinc/49/69/04/911496904.db2.gz ZQKBFDZJLNRNQF-APWZRJJASA-N 2 1 378.442 3.855 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774268460 911598025 /nfs/dbraw/zinc/59/80/25/911598025.db2.gz VAYDAROIBDZAOE-WKCHPHFGSA-N 2 1 385.552 3.639 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC001182423917 911612968 /nfs/dbraw/zinc/61/29/68/911612968.db2.gz LELPSFLQQDFXTA-CDIGIKMISA-N 2 1 382.548 3.889 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC001182423917 911612973 /nfs/dbraw/zinc/61/29/73/911612973.db2.gz LELPSFLQQDFXTA-CDIGIKMISA-N 2 1 382.548 3.889 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000283903136 911685391 /nfs/dbraw/zinc/68/53/91/911685391.db2.gz KBDUTDVIIQTCKO-UHFFFAOYSA-N 2 1 393.000 3.971 20 0 GHADMP C[C@H]1CC[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001182543702 911864861 /nfs/dbraw/zinc/86/48/61/911864861.db2.gz MEALHFKTKVRQQV-PQVVKJAFSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1CC[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001182543702 911864864 /nfs/dbraw/zinc/86/48/64/911864864.db2.gz MEALHFKTKVRQQV-PQVVKJAFSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1CC[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001182543702 911864873 /nfs/dbraw/zinc/86/48/73/911864873.db2.gz MEALHFKTKVRQQV-PQVVKJAFSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC001182543702 911864878 /nfs/dbraw/zinc/86/48/78/911864878.db2.gz MEALHFKTKVRQQV-PQVVKJAFSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC001182543702 911864889 /nfs/dbraw/zinc/86/48/89/911864889.db2.gz MEALHFKTKVRQQV-PQVVKJAFSA-N 2 1 377.576 3.975 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[C@@H]1c1ccccc1 ZINC001182609573 911923871 /nfs/dbraw/zinc/92/38/71/911923871.db2.gz UGXPBDTWGJLNHY-PMVMPFDFSA-N 2 1 383.580 3.794 20 0 GHADMP c1cn(-c2ncccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248399450 912054641 /nfs/dbraw/zinc/05/46/41/912054641.db2.gz JVZAIKOKHKIAGY-YTFSRNRJSA-N 2 1 387.531 3.658 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248400928 912056414 /nfs/dbraw/zinc/05/64/14/912056414.db2.gz RCBDFFHGGGCJIE-VBSBHUPXSA-N 2 1 390.572 3.985 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)C[C@H](O)c2ccccc2)CC1 ZINC000285076064 912152079 /nfs/dbraw/zinc/15/20/79/912152079.db2.gz JJPPNXNRKRSEEZ-WDTLCOQZSA-N 2 1 382.548 3.504 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001187036910 915010285 /nfs/dbraw/zinc/01/02/85/915010285.db2.gz QYYOFXZBIXQNPA-GTAWCEEGSA-N 2 1 393.522 3.836 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001187036910 915010305 /nfs/dbraw/zinc/01/03/05/915010305.db2.gz QYYOFXZBIXQNPA-GTAWCEEGSA-N 2 1 393.522 3.836 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647179540 915071538 /nfs/dbraw/zinc/07/15/38/915071538.db2.gz CXXAYNQELWUDLA-NSHDSACASA-N 2 1 388.256 3.981 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192458 915079299 /nfs/dbraw/zinc/07/92/99/915079299.db2.gz HWSKHIBMASELOU-VXKWHMMOSA-N 2 1 381.564 3.564 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647192458 915079317 /nfs/dbraw/zinc/07/93/17/915079317.db2.gz HWSKHIBMASELOU-VXKWHMMOSA-N 2 1 381.564 3.564 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)NCc1cccs1 ZINC000647334726 915157806 /nfs/dbraw/zinc/15/78/06/915157806.db2.gz QUAZHLACZJEIFY-LSTHTHJFSA-N 2 1 377.598 3.776 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000647479807 915290807 /nfs/dbraw/zinc/29/08/07/915290807.db2.gz VESHCQYAGXUYBK-OFNKIYASSA-N 2 1 387.531 3.898 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000647479807 915290818 /nfs/dbraw/zinc/29/08/18/915290818.db2.gz VESHCQYAGXUYBK-OFNKIYASSA-N 2 1 387.531 3.898 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OCc1ccncc1 ZINC000647542758 915318763 /nfs/dbraw/zinc/31/87/63/915318763.db2.gz BMYCGYVHKVVMBA-FGZHOGPDSA-N 2 1 395.547 3.881 20 0 GHADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2cccs2)s1 ZINC001275619930 915359125 /nfs/dbraw/zinc/35/91/25/915359125.db2.gz MCJMWAXHKHKRHR-IAGOWNOFSA-N 2 1 389.590 3.604 20 0 GHADMP C[N@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000647968045 915455963 /nfs/dbraw/zinc/45/59/63/915455963.db2.gz KYLUYRFFRYUATK-OAQYLSRUSA-N 2 1 385.596 3.868 20 0 GHADMP C[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000647968045 915455970 /nfs/dbraw/zinc/45/59/70/915455970.db2.gz KYLUYRFFRYUATK-OAQYLSRUSA-N 2 1 385.596 3.868 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@]1(C)CCc2ccccc21 ZINC000648814896 915890756 /nfs/dbraw/zinc/89/07/56/915890756.db2.gz XPYNWCKAELEPMT-RUZDIDTESA-N 2 1 397.607 3.545 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC001188331435 915892081 /nfs/dbraw/zinc/89/20/81/915892081.db2.gz YGMFTBKOTGXBGR-DEOSSOPVSA-N 2 1 391.559 3.890 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000648839315 915903626 /nfs/dbraw/zinc/90/36/26/915903626.db2.gz WDSXNPLGTFLUTI-QKNQBKEWSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000648839315 915903632 /nfs/dbraw/zinc/90/36/32/915903632.db2.gz WDSXNPLGTFLUTI-QKNQBKEWSA-N 2 1 382.552 3.814 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OC ZINC000650708372 917244220 /nfs/dbraw/zinc/24/42/20/917244220.db2.gz YUXQFPJLOQVSOM-ONTIZHBOSA-N 2 1 390.568 3.983 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)C1 ZINC000650707842 917245795 /nfs/dbraw/zinc/24/57/95/917245795.db2.gz OCTGTBPDGLWWHM-CKEIUWERSA-N 2 1 387.749 3.821 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000650722416 917249057 /nfs/dbraw/zinc/24/90/57/917249057.db2.gz SIILSOAIVSLLJK-QXAKKESOSA-N 2 1 396.959 3.998 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1OC ZINC000650722744 917250605 /nfs/dbraw/zinc/25/06/05/917250605.db2.gz ALKNTWQXWQIBQF-SFFNPBHPSA-N 2 1 376.541 3.733 20 0 GHADMP CN1c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446058 917356029 /nfs/dbraw/zinc/35/60/29/917356029.db2.gz YWSLMSMPSJHOGP-RUZDIDTESA-N 2 1 389.543 3.694 20 0 GHADMP CN1c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446058 917356041 /nfs/dbraw/zinc/35/60/41/917356041.db2.gz YWSLMSMPSJHOGP-RUZDIDTESA-N 2 1 389.543 3.694 20 0 GHADMP CN1c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446058 917356055 /nfs/dbraw/zinc/35/60/55/917356055.db2.gz YWSLMSMPSJHOGP-RUZDIDTESA-N 2 1 389.543 3.694 20 0 GHADMP CN1c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2CCC1=O ZINC000796446058 917356070 /nfs/dbraw/zinc/35/60/70/917356070.db2.gz YWSLMSMPSJHOGP-RUZDIDTESA-N 2 1 389.543 3.694 20 0 GHADMP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCc2ccccc2C1 ZINC001190510302 917374372 /nfs/dbraw/zinc/37/43/72/917374372.db2.gz LTNSUNZSZUOXCO-DNQXCXABSA-N 2 1 393.575 3.675 20 0 GHADMP CCC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001190605528 917444457 /nfs/dbraw/zinc/44/44/57/917444457.db2.gz NWDXZTQMCNAVKV-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP CCC[NH+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001190605528 917444466 /nfs/dbraw/zinc/44/44/66/917444466.db2.gz NWDXZTQMCNAVKV-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP CCC[NH+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001190605528 917444470 /nfs/dbraw/zinc/44/44/70/917444470.db2.gz NWDXZTQMCNAVKV-WMZHIEFXSA-N 2 1 397.538 3.817 20 0 GHADMP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191233722 917869184 /nfs/dbraw/zinc/86/91/84/917869184.db2.gz PRCFYGGNZJNPOA-HLIPFELVSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191233722 917869198 /nfs/dbraw/zinc/86/91/98/917869198.db2.gz PRCFYGGNZJNPOA-HLIPFELVSA-N 2 1 377.960 3.714 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796568554 918248590 /nfs/dbraw/zinc/24/85/90/918248590.db2.gz BKIZFNKGSQFOTD-ICSRJNTNSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796568554 918248595 /nfs/dbraw/zinc/24/85/95/918248595.db2.gz BKIZFNKGSQFOTD-ICSRJNTNSA-N 2 1 376.545 3.695 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373599 919298778 /nfs/dbraw/zinc/29/87/78/919298778.db2.gz NCYGZQFNZMHVRL-FXAWDEMLSA-N 2 1 378.438 3.851 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373602 919299883 /nfs/dbraw/zinc/29/98/83/919299883.db2.gz NCYGZQFNZMHVRL-XLIONFOSSA-N 2 1 378.438 3.851 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000297686962 919608501 /nfs/dbraw/zinc/60/85/01/919608501.db2.gz XLBONZAGWAMASD-XXBNENTESA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000298754798 920889003 /nfs/dbraw/zinc/88/90/03/920889003.db2.gz SFGSFTFNSAYLLE-WOJBJXKFSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000298754798 920889008 /nfs/dbraw/zinc/88/90/08/920889008.db2.gz SFGSFTFNSAYLLE-WOJBJXKFSA-N 2 1 381.524 3.803 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC34CCOCC4)CC2)cs1 ZINC000367093327 921917534 /nfs/dbraw/zinc/91/75/34/921917534.db2.gz KAGXRSGWYVSWNB-IBGZPJMESA-N 2 1 377.598 3.856 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367325224 922040505 /nfs/dbraw/zinc/04/05/05/922040505.db2.gz BGHHCNLPFSRDDL-HSZRJFAPSA-N 2 1 380.536 3.521 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367325224 922040519 /nfs/dbraw/zinc/04/05/19/922040519.db2.gz BGHHCNLPFSRDDL-HSZRJFAPSA-N 2 1 380.536 3.521 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(Cl)nc21 ZINC000367692256 922269247 /nfs/dbraw/zinc/26/92/47/922269247.db2.gz YTMBDABEDLEGTE-MRXNPFEDSA-N 2 1 375.948 3.829 20 0 GHADMP CCO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000902789084 922499687 /nfs/dbraw/zinc/49/96/87/922499687.db2.gz HSBQDALZDBHDPG-OFNKIYASSA-N 2 1 390.568 3.614 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1=O ZINC000903176726 922834302 /nfs/dbraw/zinc/83/43/02/922834302.db2.gz DHIRCMAILMPYPC-FKHXSKNASA-N 2 1 385.527 3.625 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1=O ZINC000903176726 922834313 /nfs/dbraw/zinc/83/43/13/922834313.db2.gz DHIRCMAILMPYPC-FKHXSKNASA-N 2 1 385.527 3.625 20 0 GHADMP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908372 923389559 /nfs/dbraw/zinc/38/95/59/923389559.db2.gz HQZDPVHPKLYIFY-RHSMWYFYSA-N 2 1 381.446 3.805 20 0 GHADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908372 923389570 /nfs/dbraw/zinc/38/95/70/923389570.db2.gz HQZDPVHPKLYIFY-RHSMWYFYSA-N 2 1 381.446 3.805 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(-c2ccccc2)cc1OC ZINC000903958427 923437543 /nfs/dbraw/zinc/43/75/43/923437543.db2.gz ZYASCTKBBACXCQ-KRWDZBQOSA-N 2 1 376.447 3.705 20 0 GHADMP CCCCC[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370264087 923994228 /nfs/dbraw/zinc/99/42/28/923994228.db2.gz FLLZEXJIMSTMQF-IBGZPJMESA-N 2 1 380.621 3.793 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3c2cc(F)cc3F)c2cccs2)CC1 ZINC000677129575 924252275 /nfs/dbraw/zinc/25/22/75/924252275.db2.gz MZGKMFYNXLMWRD-RBUKOAKNSA-N 2 1 377.504 3.592 20 0 GHADMP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cccc(Br)c1 ZINC000370704506 924266368 /nfs/dbraw/zinc/26/63/68/924266368.db2.gz ZPFCCQSKQCPGLQ-MBOZVWFJSA-N 2 1 394.401 3.510 20 0 GHADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cccc(Br)c1 ZINC000370704506 924266373 /nfs/dbraw/zinc/26/63/73/924266373.db2.gz ZPFCCQSKQCPGLQ-MBOZVWFJSA-N 2 1 394.401 3.510 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000370803528 924300113 /nfs/dbraw/zinc/30/01/13/924300113.db2.gz RABNVCNZLCNYOJ-SEJPIABJSA-N 2 1 378.520 3.504 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CCOc4ccccc43)CC2)CC1 ZINC000678286070 924707412 /nfs/dbraw/zinc/70/74/12/924707412.db2.gz YCOBLHOCMILLKH-NRFANRHFSA-N 2 1 385.596 3.681 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCOc2ccccc21 ZINC000678286070 924707415 /nfs/dbraw/zinc/70/74/15/924707415.db2.gz YCOBLHOCMILLKH-NRFANRHFSA-N 3 1 385.596 3.681 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCOc2ccccc21 ZINC000678286070 924707426 /nfs/dbraw/zinc/70/74/26/924707426.db2.gz YCOBLHOCMILLKH-NRFANRHFSA-N 3 1 385.596 3.681 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nccc4ccccc43)CC2)CC1 ZINC000678286039 924707749 /nfs/dbraw/zinc/70/77/49/924707749.db2.gz WICXRKSSGFOZMP-UHFFFAOYSA-N 2 1 380.580 3.863 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nccc2ccccc21 ZINC000678286039 924707757 /nfs/dbraw/zinc/70/77/57/924707757.db2.gz WICXRKSSGFOZMP-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nccc2ccccc21 ZINC000678286039 924707767 /nfs/dbraw/zinc/70/77/67/924707767.db2.gz WICXRKSSGFOZMP-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000678343620 924734849 /nfs/dbraw/zinc/73/48/49/924734849.db2.gz WUEXFVCDTLEYJV-RTBURBONSA-N 2 1 376.479 3.638 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]2CCCO2)cc1 ZINC000679333755 925098299 /nfs/dbraw/zinc/09/82/99/925098299.db2.gz CRNSUWAMSOMREM-HCXYKTFWSA-N 2 1 379.342 3.886 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]2CCCO2)cc1 ZINC000679333755 925098310 /nfs/dbraw/zinc/09/83/10/925098310.db2.gz CRNSUWAMSOMREM-HCXYKTFWSA-N 2 1 379.342 3.886 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)cc1 ZINC000679661287 925213245 /nfs/dbraw/zinc/21/32/45/925213245.db2.gz DOSWJTNLNPDMEC-UHFFFAOYSA-N 2 1 380.536 3.762 20 0 GHADMP CC(C)[NH+](CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000410344321 925556343 /nfs/dbraw/zinc/55/63/43/925556343.db2.gz IWZOCIVSFLTCNQ-FQEVSTJZSA-N 2 1 388.600 3.979 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000410351820 925563074 /nfs/dbraw/zinc/56/30/74/925563074.db2.gz IAUHNGDSDWUZGM-HXUWFJFHSA-N 2 1 388.600 3.648 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000410370333 925581759 /nfs/dbraw/zinc/58/17/59/925581759.db2.gz HBRHRMDWOITLLP-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000410370333 925581765 /nfs/dbraw/zinc/58/17/65/925581765.db2.gz HBRHRMDWOITLLP-UHFFFAOYSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@H](Cc2ccncc2)C1)[NH+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890623 925645563 /nfs/dbraw/zinc/64/55/63/925645563.db2.gz JSKFQTMHDALBPC-AGILITTLSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H](Cc2ccncc2)C1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890623 925645569 /nfs/dbraw/zinc/64/55/69/925645569.db2.gz JSKFQTMHDALBPC-AGILITTLSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H](Cc2ccncc2)C1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890623 925645576 /nfs/dbraw/zinc/64/55/76/925645576.db2.gz JSKFQTMHDALBPC-AGILITTLSA-N 2 1 378.564 3.684 20 0 GHADMP Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000680961514 925668050 /nfs/dbraw/zinc/66/80/50/925668050.db2.gz JPJNBAHSBHMYNI-UHFFFAOYSA-N 2 1 392.609 3.747 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000411392791 926353461 /nfs/dbraw/zinc/35/34/61/926353461.db2.gz DIKRATHHPDZNMS-GNADVCDUSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000411392791 926353472 /nfs/dbraw/zinc/35/34/72/926353472.db2.gz DIKRATHHPDZNMS-GNADVCDUSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000411392791 926353480 /nfs/dbraw/zinc/35/34/80/926353480.db2.gz DIKRATHHPDZNMS-GNADVCDUSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000411549792 926511495 /nfs/dbraw/zinc/51/14/95/926511495.db2.gz HXMUBQXGZKEFNT-PGRDOPGGSA-N 2 1 399.966 3.847 20 0 GHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000411629647 926584834 /nfs/dbraw/zinc/58/48/34/926584834.db2.gz DSDHPRPNWFRCAA-UHFFFAOYSA-N 2 1 398.580 3.823 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)C[C@@H](C)O1 ZINC000374268163 926956597 /nfs/dbraw/zinc/95/65/97/926956597.db2.gz JKQMVXFPRYZSSC-MBOZVWFJSA-N 2 1 393.597 3.706 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544262003 928992806 /nfs/dbraw/zinc/99/28/06/928992806.db2.gz GHNSUTGGILOOFQ-GJZGRUSLSA-N 2 1 398.378 3.947 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2CCCc2ccc(Cl)c(Cl)c2)C1=O ZINC001276276685 929206282 /nfs/dbraw/zinc/20/62/82/929206282.db2.gz RJCGEJITHVCOMO-HXUWFJFHSA-N 2 1 398.378 3.555 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000544556018 929283817 /nfs/dbraw/zinc/28/38/17/929283817.db2.gz WFKWQZWZCNXKCQ-LPHOPBHVSA-N 2 1 399.501 3.936 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C/C=C/c2ccc(F)cc2F)c2cccs2)CC1 ZINC000544613262 929344517 /nfs/dbraw/zinc/34/45/17/929344517.db2.gz ZFQKGMISROTVIQ-GVTIMSHASA-N 2 1 377.504 3.618 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000753534859 929394131 /nfs/dbraw/zinc/39/41/31/929394131.db2.gz GDAUUELMIDRGMA-YLJYHZDGSA-N 2 1 399.539 3.843 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000753544755 929404093 /nfs/dbraw/zinc/40/40/93/929404093.db2.gz OORRCVSUEHDBRO-JOCHJYFZSA-N 2 1 388.471 3.905 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000753548066 929406519 /nfs/dbraw/zinc/40/65/19/929406519.db2.gz ATGWECDNIMRSMI-FGZHOGPDSA-N 2 1 380.467 3.803 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)oc1C ZINC000545920321 929677278 /nfs/dbraw/zinc/67/72/78/929677278.db2.gz JPIQVCVVHZCCPJ-QHAWAJNXSA-N 2 1 375.557 3.688 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1Cl ZINC000546015845 929774458 /nfs/dbraw/zinc/77/44/58/929774458.db2.gz GSGJNGSXVFHFEY-UHFFFAOYSA-N 2 1 381.948 3.874 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000757727346 929783618 /nfs/dbraw/zinc/78/36/18/929783618.db2.gz HBGIOOVEZHVOJT-XXDDBKGRSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000469759610 930142468 /nfs/dbraw/zinc/14/24/68/930142468.db2.gz AXANLAXGEYERAQ-XMZFGDCGSA-N 2 1 391.559 3.860 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000469759610 930142476 /nfs/dbraw/zinc/14/24/76/930142476.db2.gz AXANLAXGEYERAQ-XMZFGDCGSA-N 2 1 391.559 3.860 20 0 GHADMP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000759065116 930262287 /nfs/dbraw/zinc/26/22/87/930262287.db2.gz PZOYXSXHFPOSDX-FQEVSTJZSA-N 2 1 395.330 3.649 20 0 GHADMP C[NH2+]CC1CC[NH+](Cc2cc(Br)cc(C)c2OC(F)F)CC1 ZINC000470009194 930312457 /nfs/dbraw/zinc/31/24/57/930312457.db2.gz NIOLPQIBUCIGOV-UHFFFAOYSA-N 2 1 377.273 3.790 20 0 GHADMP CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470892460 931006387 /nfs/dbraw/zinc/00/63/87/931006387.db2.gz RZTUVMVQVCBTHB-NHCUHLMSSA-N 2 1 388.600 3.659 20 0 GHADMP C[C@@H]1[C@@H](C)[NH+](CCCCCCCCC[N@H+]2CCN(C)[C@H](C)[C@@H]2C)CCN1C ZINC000781903401 931019207 /nfs/dbraw/zinc/01/92/07/931019207.db2.gz SDWQERUNSNIXAP-ODAXIHTASA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1[C@@H](C)[N@H+](CCCCCCCCC[NH+]2CCN(C)[C@H](C)[C@@H]2C)CCN1C ZINC000781903401 931019215 /nfs/dbraw/zinc/01/92/15/931019215.db2.gz SDWQERUNSNIXAP-ODAXIHTASA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](CCCCCCCCC[NH+]2CCN(C)[C@H](C)[C@@H]2C)CCN1C ZINC000781903401 931019224 /nfs/dbraw/zinc/01/92/24/931019224.db2.gz SDWQERUNSNIXAP-ODAXIHTASA-N 2 1 380.665 3.766 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1-c1ccccc1 ZINC000781922841 931031484 /nfs/dbraw/zinc/03/14/84/931031484.db2.gz KYPMOTFEZBGNOU-WZONZLPQSA-N 2 1 390.531 3.598 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C)c1OC ZINC000557392552 931397574 /nfs/dbraw/zinc/39/75/74/931397574.db2.gz FUNLIPRWRIAGQG-LJQANCHMSA-N 2 1 397.563 3.610 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)CC2 ZINC000557566238 931545099 /nfs/dbraw/zinc/54/50/99/931545099.db2.gz QIEOMRMNPVWQNU-OAQYLSRUSA-N 2 1 394.563 3.835 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)CC2 ZINC000557566238 931545102 /nfs/dbraw/zinc/54/51/02/931545102.db2.gz QIEOMRMNPVWQNU-OAQYLSRUSA-N 2 1 394.563 3.835 20 0 GHADMP CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ncccc1Cl ZINC000924918832 931585038 /nfs/dbraw/zinc/58/50/38/931585038.db2.gz FCXYVAHAHNILNY-LJQANCHMSA-N 2 1 388.943 3.657 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000924948617 931592714 /nfs/dbraw/zinc/59/27/14/931592714.db2.gz DYFADUOICGSJQE-CGHHPOIWSA-N 2 1 376.545 3.594 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC2)cs1 ZINC000925032231 931618813 /nfs/dbraw/zinc/61/88/13/931618813.db2.gz SCSPNYDGLNWFQZ-NQIIRXRSSA-N 2 1 377.598 3.712 20 0 GHADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000925538938 931815250 /nfs/dbraw/zinc/81/52/50/931815250.db2.gz UOYMSEZBRLTWHT-REHUZNOOSA-N 2 1 381.564 3.866 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnc2)c1 ZINC000926112222 932052206 /nfs/dbraw/zinc/05/22/06/932052206.db2.gz PQJPCRTTYLDMBQ-IPJJNNNSSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)O2)CO1 ZINC000926880621 932335105 /nfs/dbraw/zinc/33/51/05/932335105.db2.gz YTBSLOIHSOBXBQ-ZLRWJQADSA-N 2 1 384.564 3.888 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000558956105 932338394 /nfs/dbraw/zinc/33/83/94/932338394.db2.gz DOXPSPZZASOTSK-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000626320902 932585007 /nfs/dbraw/zinc/58/50/07/932585007.db2.gz MOFIQYQFPBZWHA-BJKOFHAPSA-N 2 1 397.607 3.725 20 0 GHADMP C[N@@H+](CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC000798946330 932831166 /nfs/dbraw/zinc/83/11/66/932831166.db2.gz DQSDQMYLOAADHG-QFIPXVFZSA-N 2 1 375.557 3.745 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1C ZINC000799124977 932883034 /nfs/dbraw/zinc/88/30/34/932883034.db2.gz CZRFQGRGGLVXNN-KNQAVFIVSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1C ZINC000799124977 932883040 /nfs/dbraw/zinc/88/30/40/932883040.db2.gz CZRFQGRGGLVXNN-KNQAVFIVSA-N 2 1 387.568 3.840 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1C ZINC000799124977 932883043 /nfs/dbraw/zinc/88/30/43/932883043.db2.gz CZRFQGRGGLVXNN-KNQAVFIVSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000799179564 932901920 /nfs/dbraw/zinc/90/19/20/932901920.db2.gz OMIPNQRLWDLJKZ-HSZRJFAPSA-N 2 1 394.559 3.901 20 0 GHADMP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000559879221 932919264 /nfs/dbraw/zinc/91/92/64/932919264.db2.gz UJVXPJDEGPVQOP-VGSWGCGISA-N 2 1 387.543 3.874 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000799228555 932925774 /nfs/dbraw/zinc/92/57/74/932925774.db2.gz ZTZMRLFCRJQBIC-XMMPIXPASA-N 2 1 394.563 3.824 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C4CCC4)cc3)c2)C1 ZINC000560063052 933044445 /nfs/dbraw/zinc/04/44/45/933044445.db2.gz NBSOCWZCKZOMCS-XMMPIXPASA-N 2 1 391.559 3.941 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000560158963 933099183 /nfs/dbraw/zinc/09/91/83/933099183.db2.gz CVBCLYQRTWQJIQ-UHFFFAOYSA-N 2 1 398.517 3.729 20 0 GHADMP c1c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]nc1-c1cccnc1 ZINC000560356921 933218354 /nfs/dbraw/zinc/21/83/54/933218354.db2.gz OYDOZDZBBCSVFM-HXUWFJFHSA-N 2 1 375.520 3.864 20 0 GHADMP c1c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]nc1-c1cccnc1 ZINC000560356921 933218357 /nfs/dbraw/zinc/21/83/57/933218357.db2.gz OYDOZDZBBCSVFM-HXUWFJFHSA-N 2 1 375.520 3.864 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000560504980 933297098 /nfs/dbraw/zinc/29/70/98/933297098.db2.gz CNXZSCRJWZWCFI-PXNSSMCTSA-N 2 1 377.960 3.508 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1cccc(C(F)(F)F)c1 ZINC000561774231 934442040 /nfs/dbraw/zinc/44/20/40/934442040.db2.gz WGRLJIDVIIUSTE-QUCCMNQESA-N 2 1 397.485 3.643 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c2cccs2)CC1 ZINC000561951309 934580654 /nfs/dbraw/zinc/58/06/54/934580654.db2.gz PFYKATWTKFHROH-RRWXTXHCSA-N 2 1 391.531 3.851 20 0 GHADMP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)OCCc2ccccc21 ZINC000562092167 934691289 /nfs/dbraw/zinc/69/12/89/934691289.db2.gz SAHWEQUCCZRUEZ-ZWSUVBHBSA-N 2 1 394.559 3.744 20 0 GHADMP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)OCCc2ccccc21 ZINC000562092162 934691440 /nfs/dbraw/zinc/69/14/40/934691440.db2.gz SAHWEQUCCZRUEZ-OPHFCASCSA-N 2 1 394.559 3.744 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC000932175210 934841152 /nfs/dbraw/zinc/84/11/52/934841152.db2.gz UOVFMLJGEMENFG-UHFFFAOYSA-N 2 1 398.486 3.511 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2)c1ccccc1 ZINC001122319376 934854363 /nfs/dbraw/zinc/85/43/63/934854363.db2.gz HIPZFAPNACRFFU-IFMALSPDSA-N 2 1 393.531 3.523 20 0 GHADMP CC(CC[NH+]1CCC[C@H]1c1ccnn1C)CC[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932262308 934862883 /nfs/dbraw/zinc/86/28/83/934862883.db2.gz UGRIYENTZSLUPL-VXKWHMMOSA-N 2 1 384.572 3.544 20 0 GHADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001124283914 935369444 /nfs/dbraw/zinc/36/94/44/935369444.db2.gz GYDHPVMMPHTPNP-NJDAHSKKSA-N 2 1 383.536 3.547 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC001124283914 935369452 /nfs/dbraw/zinc/36/94/52/935369452.db2.gz GYDHPVMMPHTPNP-NJDAHSKKSA-N 2 1 383.536 3.547 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001137785630 935788548 /nfs/dbraw/zinc/78/85/48/935788548.db2.gz OSRZPDBMAULHPE-OAQYLSRUSA-N 2 1 382.504 3.943 20 0 GHADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662254162 1014363098 /nfs/dbraw/zinc/36/30/98/1014363098.db2.gz MRYGZSAZZOVOOM-LJQANCHMSA-N 2 1 392.547 3.674 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468028203 1015164621 /nfs/dbraw/zinc/16/46/21/1015164621.db2.gz VTPTYWAIEAFSCQ-SEIRJHJZSA-N 2 1 388.600 3.876 20 0 GHADMP Cc1[nH+]c2ccc(Br)cc2c(N2CCC[N@H+]([C@H](C)CO)CC2)c1C ZINC000468747247 1015988716 /nfs/dbraw/zinc/98/87/16/1015988716.db2.gz VAVINBWDDOGPHW-CYBMUJFWSA-N 2 1 392.341 3.507 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000469966232 1016685394 /nfs/dbraw/zinc/68/53/94/1016685394.db2.gz RAJRHOUZLZEQGI-NHYNNZIHSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000469966232 1016685402 /nfs/dbraw/zinc/68/54/02/1016685402.db2.gz RAJRHOUZLZEQGI-NHYNNZIHSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469966232 1016685410 /nfs/dbraw/zinc/68/54/10/1016685410.db2.gz RAJRHOUZLZEQGI-NHYNNZIHSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000469966232 1016685419 /nfs/dbraw/zinc/68/54/19/1016685419.db2.gz RAJRHOUZLZEQGI-NHYNNZIHSA-N 2 1 389.543 3.573 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000470116528 1016726057 /nfs/dbraw/zinc/72/60/57/1016726057.db2.gz GKMRZYAWIVACHP-GOSISDBHSA-N 2 1 384.524 3.756 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000470116528 1016726061 /nfs/dbraw/zinc/72/60/61/1016726061.db2.gz GKMRZYAWIVACHP-GOSISDBHSA-N 2 1 384.524 3.756 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470492094 1016797819 /nfs/dbraw/zinc/79/78/19/1016797819.db2.gz LMQAXNADVPEKGQ-JOCHJYFZSA-N 2 1 388.600 3.801 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000470602472 1016830980 /nfs/dbraw/zinc/83/09/80/1016830980.db2.gz SVSIQBKINMNWCC-RTBURBONSA-N 2 1 397.485 3.831 20 0 GHADMP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](c3cc4ccccc4o3)c3ccccn3)C2)CC1 ZINC000925044022 1017033287 /nfs/dbraw/zinc/03/32/87/1017033287.db2.gz YYENAWUWOKCYOH-DVECYGJZSA-N 2 1 390.531 3.675 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001220879758 1032168358 /nfs/dbraw/zinc/16/83/58/1032168358.db2.gz DVNZCNDBCFJPTF-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001221064757 1032262506 /nfs/dbraw/zinc/26/25/06/1032262506.db2.gz QJCAWEWHVJMRFG-WWPVKYPJSA-N 2 1 394.563 3.642 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC001227177696 1032310433 /nfs/dbraw/zinc/31/04/33/1032310433.db2.gz GDXUYSIGOKHFEN-NHCUHLMSSA-N 2 1 392.563 3.580 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[N@@H+](C3CCCC3)[C@H](C)C2)c1 ZINC001154889462 1032329408 /nfs/dbraw/zinc/32/94/08/1032329408.db2.gz NTQMBRWIEQLMTM-NFBKMPQASA-N 2 1 383.580 3.825 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCCC3)[C@H](C)C2)c1 ZINC001154889462 1032329418 /nfs/dbraw/zinc/32/94/18/1032329418.db2.gz NTQMBRWIEQLMTM-NFBKMPQASA-N 2 1 383.580 3.825 20 0 GHADMP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC001221202115 1032328123 /nfs/dbraw/zinc/32/81/23/1032328123.db2.gz SLPDOWYDGKEXLK-YADHBBJMSA-N 2 1 399.510 3.630 20 0 GHADMP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC001221202115 1032328128 /nfs/dbraw/zinc/32/81/28/1032328128.db2.gz SLPDOWYDGKEXLK-YADHBBJMSA-N 2 1 399.510 3.630 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[NH+](C3CCCC3)[C@H](C)C2)c1 ZINC001154889462 1032329432 /nfs/dbraw/zinc/32/94/32/1032329432.db2.gz NTQMBRWIEQLMTM-NFBKMPQASA-N 2 1 383.580 3.825 20 0 GHADMP O=C(N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)c1c[nH+]ccc1N1CCCC1 ZINC001221211056 1032333851 /nfs/dbraw/zinc/33/38/51/1032333851.db2.gz YXWIDMBWIXOTQS-NRFANRHFSA-N 2 1 396.510 3.682 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3cncc3C3CC[NH2+]CC3)c2c1C ZINC001155063449 1032398676 /nfs/dbraw/zinc/39/86/76/1032398676.db2.gz BBHSMHJUSXRUIO-UHFFFAOYSA-N 2 1 396.564 3.557 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001221508844 1032440809 /nfs/dbraw/zinc/44/08/09/1032440809.db2.gz LUZPFGFPTIOUIJ-QHCPKHFHSA-N 2 1 398.595 3.879 20 0 GHADMP CC(C)c1cncnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155364681 1032521211 /nfs/dbraw/zinc/52/12/11/1032521211.db2.gz UVDCJGHOCASRMX-HXUWFJFHSA-N 2 1 379.552 3.514 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001221792602 1032536519 /nfs/dbraw/zinc/53/65/19/1032536519.db2.gz ULJAOELYZLPYGL-UXHICEINSA-N 2 1 394.991 3.897 20 0 GHADMP c1cc2c(s1)[C@H](Nc1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[NH2+]C2 ZINC001155559685 1032580064 /nfs/dbraw/zinc/58/00/64/1032580064.db2.gz PQMAETXFBZXNCO-HXUWFJFHSA-N 2 1 376.529 3.958 20 0 GHADMP CC(C)c1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)cc1 ZINC001204165762 1032617954 /nfs/dbraw/zinc/61/79/54/1032617954.db2.gz GMVJYXHKIACWSQ-VJBWXMMDSA-N 2 1 381.568 3.775 20 0 GHADMP CC(C)c1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001204165762 1032617960 /nfs/dbraw/zinc/61/79/60/1032617960.db2.gz GMVJYXHKIACWSQ-VJBWXMMDSA-N 2 1 381.568 3.775 20 0 GHADMP CC(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001204165762 1032617965 /nfs/dbraw/zinc/61/79/65/1032617965.db2.gz GMVJYXHKIACWSQ-VJBWXMMDSA-N 2 1 381.568 3.775 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001204165762 1032617975 /nfs/dbraw/zinc/61/79/75/1032617975.db2.gz GMVJYXHKIACWSQ-VJBWXMMDSA-N 2 1 381.568 3.775 20 0 GHADMP C[C@@H](Nc1cccc(OCCC[NH+](C)C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000777686581 1017517700 /nfs/dbraw/zinc/51/77/00/1017517700.db2.gz ARHFQMVSIMHNEG-HYBUGGRVSA-N 2 1 397.563 3.719 20 0 GHADMP C[C@@H](Nc1cccc(OCCC[NH+](C)C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000777686581 1017517715 /nfs/dbraw/zinc/51/77/15/1017517715.db2.gz ARHFQMVSIMHNEG-HYBUGGRVSA-N 2 1 397.563 3.719 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(-c4ccncc4)s3)CC2)oc1C ZINC000561484085 1017867833 /nfs/dbraw/zinc/86/78/33/1017867833.db2.gz NOBSKYKPZTWJQO-UHFFFAOYSA-N 2 1 397.548 3.812 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000562987738 1018893204 /nfs/dbraw/zinc/89/32/04/1018893204.db2.gz KCMDAXQGLPCONK-IEBWSBKVSA-N 2 1 376.504 3.586 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000562987739 1018894046 /nfs/dbraw/zinc/89/40/46/1018894046.db2.gz KCMDAXQGLPCONK-MJGOQNOKSA-N 2 1 376.504 3.586 20 0 GHADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000567236226 1019277579 /nfs/dbraw/zinc/27/75/79/1019277579.db2.gz ZRHXQGSZRZWUFW-WWNPGLIZSA-N 2 1 377.532 3.508 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000575333274 1019933392 /nfs/dbraw/zinc/93/33/92/1019933392.db2.gz FLJNCRZWPMXVBE-WMZHIEFXSA-N 2 1 377.532 3.848 20 0 GHADMP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000577188667 1020143076 /nfs/dbraw/zinc/14/30/76/1020143076.db2.gz ILAJVQJDWGBSFL-HSZRJFAPSA-N 2 1 379.548 3.527 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc2)[nH]1 ZINC000579593450 1020425539 /nfs/dbraw/zinc/42/55/39/1020425539.db2.gz KNJBVMAYGQDGCU-VXKWHMMOSA-N 2 1 387.531 3.723 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc2)[nH]1 ZINC000579593450 1020425545 /nfs/dbraw/zinc/42/55/45/1020425545.db2.gz KNJBVMAYGQDGCU-VXKWHMMOSA-N 2 1 387.531 3.723 20 0 GHADMP CCOC(=O)N[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000779440938 1020792276 /nfs/dbraw/zinc/79/22/76/1020792276.db2.gz RXRQHDUDKDAHKP-YUMYIRISSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CC[N@H+]1C ZINC000636131665 1020995373 /nfs/dbraw/zinc/99/53/73/1020995373.db2.gz QUXVHCDIRJVXNP-UNMCSNQZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(=O)N1CCC(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000638528674 1021045875 /nfs/dbraw/zinc/04/58/75/1021045875.db2.gz NQWWRHTWNXONJD-DEOSSOPVSA-N 2 1 385.596 3.773 20 0 GHADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001626147454 1021281162 /nfs/dbraw/zinc/28/11/62/1021281162.db2.gz CLGZHMFXUDIYJB-JOCHJYFZSA-N 2 1 399.604 3.593 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834768749 1021456362 /nfs/dbraw/zinc/45/63/62/1021456362.db2.gz FJVRZQNXAHXTNM-PMACEKPBSA-N 2 1 384.524 3.693 20 0 GHADMP c1cc(C[N@@H+]2CCOCC3(CC[NH+](Cc4ccc5c(c4)CCC5)CC3)C2)ccn1 ZINC001203030842 1021533246 /nfs/dbraw/zinc/53/32/46/1021533246.db2.gz UWVKONFGUHSXLP-UHFFFAOYSA-N 2 1 391.559 3.685 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCN(C[C@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721366 1022042709 /nfs/dbraw/zinc/04/27/09/1022042709.db2.gz LMZSKCZXRSAFNJ-QVQNZMNRSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CC[NH+](C[C@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721366 1022042723 /nfs/dbraw/zinc/04/27/23/1022042723.db2.gz LMZSKCZXRSAFNJ-QVQNZMNRSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CC[NH+](C[C@H]5CCCO5)CC4)[C@@H]3C2)cc1 ZINC000679721366 1022042736 /nfs/dbraw/zinc/04/27/36/1022042736.db2.gz LMZSKCZXRSAFNJ-QVQNZMNRSA-N 2 1 397.607 3.520 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1Br ZINC001204720783 1033045745 /nfs/dbraw/zinc/04/57/45/1033045745.db2.gz BMIAXNPJWUMPTQ-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP Clc1ncc2ccccc2c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001140724951 1022364055 /nfs/dbraw/zinc/36/40/55/1022364055.db2.gz ICRLDOPBJKXQGT-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3coc4ccccc34)O2)CC1 ZINC001140783667 1022514491 /nfs/dbraw/zinc/51/44/91/1022514491.db2.gz FWIOVFFYWSKDTL-KIFXHHALSA-N 2 1 398.547 3.913 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccc(OCCC[NH+](C)C)cc3)cc2)CC1 ZINC001204746685 1033061222 /nfs/dbraw/zinc/06/12/22/1033061222.db2.gz AYCMMEDUSOOFIF-UHFFFAOYSA-N 2 1 382.552 3.508 20 0 GHADMP O=C(c1cccs1)N1CCC[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801458 1022569809 /nfs/dbraw/zinc/56/98/09/1022569809.db2.gz OJNYPQAGDOPFCN-OAQYLSRUSA-N 2 1 380.517 3.753 20 0 GHADMP O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801458 1022569817 /nfs/dbraw/zinc/56/98/17/1022569817.db2.gz OJNYPQAGDOPFCN-OAQYLSRUSA-N 2 1 380.517 3.753 20 0 GHADMP FC1(F)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@]12CCN(c1ccccn1)C2 ZINC001140802783 1022571227 /nfs/dbraw/zinc/57/12/27/1022571227.db2.gz DCDHTXMDAWPWDZ-HXUWFJFHSA-N 2 1 383.446 3.696 20 0 GHADMP FC1(F)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@@]12CCN(c1ccccn1)C2 ZINC001140802783 1022571244 /nfs/dbraw/zinc/57/12/44/1022571244.db2.gz DCDHTXMDAWPWDZ-HXUWFJFHSA-N 2 1 383.446 3.696 20 0 GHADMP O=C1CCC2(CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)N1Cc1cccc(F)c1 ZINC001140802979 1022573257 /nfs/dbraw/zinc/57/32/57/1022573257.db2.gz HKBGGARQFBWYEN-UHFFFAOYSA-N 2 1 392.478 3.859 20 0 GHADMP COc1cccc([C@@H]2CSCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)c1 ZINC001140975032 1023056833 /nfs/dbraw/zinc/05/68/33/1023056833.db2.gz BLFZCQHTKZHEKX-QHCPKHFHSA-N 2 1 397.588 3.737 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3c(=O)sc4c3CC[C@H](C(C)(C)C)C4)C2)CC1 ZINC000755780890 1023374818 /nfs/dbraw/zinc/37/48/18/1023374818.db2.gz QOLCZLPODIKEFR-ROUUACIJSA-N 2 1 391.625 3.682 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3c(=O)sc4c3CC[C@H](C(C)(C)C)C4)C2)CC1 ZINC000755780890 1023374828 /nfs/dbraw/zinc/37/48/28/1023374828.db2.gz QOLCZLPODIKEFR-ROUUACIJSA-N 2 1 391.625 3.682 20 0 GHADMP CCCCc1nc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c[nH]1 ZINC001141068246 1023418048 /nfs/dbraw/zinc/41/80/48/1023418048.db2.gz BPBMNMIZYQJKGN-IBGZPJMESA-N 2 1 386.540 3.601 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001138121852 1024162260 /nfs/dbraw/zinc/16/22/60/1024162260.db2.gz OCHXSSISZPCYFT-FGZHOGPDSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001138121852 1024162268 /nfs/dbraw/zinc/16/22/68/1024162268.db2.gz OCHXSSISZPCYFT-FGZHOGPDSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001138121852 1024162282 /nfs/dbraw/zinc/16/22/82/1024162282.db2.gz OCHXSSISZPCYFT-FGZHOGPDSA-N 2 1 383.580 3.764 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCN(C[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC001205026466 1033217631 /nfs/dbraw/zinc/21/76/31/1033217631.db2.gz PRCFPJCTEJHOSA-NRFANRHFSA-N 2 1 389.465 3.538 20 0 GHADMP COc1cc(Cl)ncc1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001141341322 1024623411 /nfs/dbraw/zinc/62/34/11/1024623411.db2.gz XXPIQBRHOZNXGB-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COc1cc(Cl)ncc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001141341322 1024623417 /nfs/dbraw/zinc/62/34/17/1024623417.db2.gz XXPIQBRHOZNXGB-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC001141366735 1024735903 /nfs/dbraw/zinc/73/59/03/1024735903.db2.gz ZOIXDDBPJSPIGG-RTWAWAEBSA-N 2 1 389.609 3.925 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ncccc2NC(=O)OC(C)(C)C)CC1 ZINC001138405799 1024785279 /nfs/dbraw/zinc/78/52/79/1024785279.db2.gz PGFYGVDGBRVDQH-UHFFFAOYSA-N 2 1 376.545 3.981 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001138548749 1024996394 /nfs/dbraw/zinc/99/63/94/1024996394.db2.gz JQZCQZLCQPEBSF-CEQLMSFQSA-N 2 1 396.535 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)cc1 ZINC001138548749 1024996397 /nfs/dbraw/zinc/99/63/97/1024996397.db2.gz JQZCQZLCQPEBSF-CEQLMSFQSA-N 2 1 396.535 3.916 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C)s1 ZINC001138566940 1025038781 /nfs/dbraw/zinc/03/87/81/1025038781.db2.gz YFHHYCIDHDLRAS-UHFFFAOYSA-N 2 1 385.577 3.875 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138619046 1025112524 /nfs/dbraw/zinc/11/25/24/1025112524.db2.gz GDNOLOVYOLJVGF-UHFFFAOYSA-N 2 1 375.476 3.711 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000838914407 1025439442 /nfs/dbraw/zinc/43/94/42/1025439442.db2.gz GBOIPSOWJLXTDG-NRFANRHFSA-N 2 1 394.519 3.971 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1C ZINC001141564734 1025563358 /nfs/dbraw/zinc/56/33/58/1025563358.db2.gz KAHMUAWXOHBZII-OAQYLSRUSA-N 2 1 396.579 3.693 20 0 GHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(N[C@@H]3CCCC[C@H]3OCc3ccccc3)cn12 ZINC001162051657 1025566324 /nfs/dbraw/zinc/56/63/24/1025566324.db2.gz WJHKAWIDJRSUOM-IFMALSPDSA-N 2 1 376.504 3.961 20 0 GHADMP Brc1c[nH]nc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001139027271 1025792407 /nfs/dbraw/zinc/79/24/07/1025792407.db2.gz SRWWRIOHKJDEHS-SJORKVTESA-N 2 1 389.341 3.516 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001139027271 1025792411 /nfs/dbraw/zinc/79/24/11/1025792411.db2.gz SRWWRIOHKJDEHS-SJORKVTESA-N 2 1 389.341 3.516 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001139027271 1025792426 /nfs/dbraw/zinc/79/24/26/1025792426.db2.gz SRWWRIOHKJDEHS-SJORKVTESA-N 2 1 389.341 3.516 20 0 GHADMP CC(C)(C)OC(=O)Cc1c(CC[NH3+])c2ccccc2n1-c1cc2[nH]ccc2c[nH+]1 ZINC001162676286 1025868104 /nfs/dbraw/zinc/86/81/04/1025868104.db2.gz KFEGNQVHQJZYFA-UHFFFAOYSA-N 2 1 390.487 3.892 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccc(F)cc3F)cc2)CC1 ZINC001461049191 1069360638 /nfs/dbraw/zinc/36/06/38/1069360638.db2.gz GZISAPAVLXPHEU-ARJAWSKDSA-N 2 1 385.502 3.905 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CC[NH+](C)C)c2)C1 ZINC001141632973 1025969245 /nfs/dbraw/zinc/96/92/45/1025969245.db2.gz KCGPUCDTUUSKIY-HXUWFJFHSA-N 2 1 393.575 3.953 20 0 GHADMP c1noc2cc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc12 ZINC001162933732 1025971471 /nfs/dbraw/zinc/97/14/71/1025971471.db2.gz HEEZQLMKYBZYLG-FQEVSTJZSA-N 2 1 376.504 3.742 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1c[nH+]c(N3CCOCC3)c(C)c1)CC21CC[NH2+]CC1 ZINC001163033786 1026016469 /nfs/dbraw/zinc/01/64/69/1026016469.db2.gz JRNPGWHIOUYINL-JOCHJYFZSA-N 2 1 392.547 3.713 20 0 GHADMP Fc1ccc2nc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)ccc2c1 ZINC001141645334 1026022508 /nfs/dbraw/zinc/02/25/08/1026022508.db2.gz YVQDRLWDANXDHP-UXHICEINSA-N 2 1 376.479 3.723 20 0 GHADMP Fc1ccc2nc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)ccc2c1 ZINC001141645334 1026022518 /nfs/dbraw/zinc/02/25/18/1026022518.db2.gz YVQDRLWDANXDHP-UXHICEINSA-N 2 1 376.479 3.723 20 0 GHADMP Fc1ccc2nc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)ccc2c1 ZINC001141645334 1026022537 /nfs/dbraw/zinc/02/25/37/1026022537.db2.gz YVQDRLWDANXDHP-UXHICEINSA-N 2 1 376.479 3.723 20 0 GHADMP Fc1ccc2nc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)ccc2c1 ZINC001141645334 1026022558 /nfs/dbraw/zinc/02/25/58/1026022558.db2.gz YVQDRLWDANXDHP-UXHICEINSA-N 2 1 376.479 3.723 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCCC[C@@H]4C)cc3)C[N@H+]2C1 ZINC001141649892 1026065189 /nfs/dbraw/zinc/06/51/89/1026065189.db2.gz AAPLUGGJRCDQFI-VNHKHXMHSA-N 2 1 383.580 3.798 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)C[NH+]2C1 ZINC001141649892 1026065203 /nfs/dbraw/zinc/06/52/03/1026065203.db2.gz AAPLUGGJRCDQFI-VNHKHXMHSA-N 2 1 383.580 3.798 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)C[NH+]2C1 ZINC001141649892 1026065208 /nfs/dbraw/zinc/06/52/08/1026065208.db2.gz AAPLUGGJRCDQFI-VNHKHXMHSA-N 2 1 383.580 3.798 20 0 GHADMP COc1ccc2c(c1)c(CN1CC[C@@]3(CC[N@@H+](C)C3)C1)cn2C(=O)OC(C)(C)C ZINC001139297856 1026150339 /nfs/dbraw/zinc/15/03/39/1026150339.db2.gz LMUKZFAGMILPOX-HSZRJFAPSA-N 2 1 399.535 3.961 20 0 GHADMP COc1ccc([C@H](O)C[N@@H+](CCn2ccnc2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839645431 1026155652 /nfs/dbraw/zinc/15/56/52/1026155652.db2.gz BQORMRJTHKJWHV-YADARESESA-N 2 1 393.531 3.867 20 0 GHADMP COc1ccc([C@H](O)C[N@H+](CCn2cc[nH+]c2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839645431 1026155654 /nfs/dbraw/zinc/15/56/54/1026155654.db2.gz BQORMRJTHKJWHV-YADARESESA-N 2 1 393.531 3.867 20 0 GHADMP COc1ccc([C@H](O)C[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)Cc2ccccc2)cc1 ZINC000839645431 1026155661 /nfs/dbraw/zinc/15/56/61/1026155661.db2.gz BQORMRJTHKJWHV-YADARESESA-N 2 1 393.531 3.867 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CCC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333011 1026193053 /nfs/dbraw/zinc/19/30/53/1026193053.db2.gz JQTWXJNEFXKAAG-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333011 1026193062 /nfs/dbraw/zinc/19/30/62/1026193062.db2.gz JQTWXJNEFXKAAG-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001139333011 1026193071 /nfs/dbraw/zinc/19/30/71/1026193071.db2.gz JQTWXJNEFXKAAG-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP COc1ccc(CCNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)cc1O ZINC001163727162 1026296678 /nfs/dbraw/zinc/29/66/78/1026296678.db2.gz DBBNRCWQODDURU-GOSISDBHSA-N 2 1 380.492 3.720 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@H]4OCC[C@@H]4C3)CC2)cc1 ZINC001139513420 1026367319 /nfs/dbraw/zinc/36/73/19/1026367319.db2.gz SVGKTBBPEXOTQJ-ILBGXUMGSA-N 2 1 391.559 3.620 20 0 GHADMP Cc1cc(Br)cc2ccc(NCC3([NH+](C)C)CC[NH+](C)CC3)nc12 ZINC001164216967 1026455809 /nfs/dbraw/zinc/45/58/09/1026455809.db2.gz ODMKOEIVRDPNMQ-UHFFFAOYSA-N 2 1 391.357 3.744 20 0 GHADMP Cn1c(=O)cc(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)c2ccccc21 ZINC001139756742 1026594986 /nfs/dbraw/zinc/59/49/86/1026594986.db2.gz ADPYISAHEHAZNG-UHFFFAOYSA-N 2 1 375.516 3.635 20 0 GHADMP CN(C[C@H]1CC[NH2+]C1)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001165123592 1026618757 /nfs/dbraw/zinc/61/87/57/1026618757.db2.gz AIOGATZMALISHA-INIZCTEOSA-N 2 1 399.608 3.602 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(O)cc1F)CC2 ZINC001140125760 1026903625 /nfs/dbraw/zinc/90/36/25/1026903625.db2.gz ITDVXBGVTMLUME-QGZVFWFLSA-N 2 1 390.524 3.848 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171681 1069424591 /nfs/dbraw/zinc/42/45/91/1069424591.db2.gz OSBMRNCOFKWTFY-GJZGRUSLSA-N 2 1 381.483 3.542 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc2c1OCO2 ZINC001209712346 1027110946 /nfs/dbraw/zinc/11/09/46/1027110946.db2.gz NJKSLOSAKLWCCC-OAQYLSRUSA-N 2 1 398.503 3.894 20 0 GHADMP COc1ccc2oc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)cc2c1 ZINC001209771217 1027175756 /nfs/dbraw/zinc/17/57/56/1027175756.db2.gz JFQMJDIIHVNJIY-QUCCMNQESA-N 2 1 377.488 3.790 20 0 GHADMP COc1ccc2oc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)cc2c1 ZINC001209771217 1027175777 /nfs/dbraw/zinc/17/57/77/1027175777.db2.gz JFQMJDIIHVNJIY-QUCCMNQESA-N 2 1 377.488 3.790 20 0 GHADMP COc1ccc2oc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)cc2c1 ZINC001209771217 1027175792 /nfs/dbraw/zinc/17/57/92/1027175792.db2.gz JFQMJDIIHVNJIY-QUCCMNQESA-N 2 1 377.488 3.790 20 0 GHADMP COc1ccc2oc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)cc2c1 ZINC001209771217 1027175803 /nfs/dbraw/zinc/17/58/03/1027175803.db2.gz JFQMJDIIHVNJIY-QUCCMNQESA-N 2 1 377.488 3.790 20 0 GHADMP CCc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)on1 ZINC001203217934 1027235199 /nfs/dbraw/zinc/23/51/99/1027235199.db2.gz LOQAXAFGQORQHF-QGZVFWFLSA-N 2 1 375.538 3.554 20 0 GHADMP CC(=O)OCc1ccc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC001141793648 1027299799 /nfs/dbraw/zinc/29/97/99/1027299799.db2.gz FMEHDGAQNHMGSH-HSZRJFAPSA-N 2 1 382.504 3.831 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210270871 1027418887 /nfs/dbraw/zinc/41/88/87/1027418887.db2.gz IYLWMOFPCYGTHZ-UHFFFAOYSA-N 2 1 387.459 3.721 20 0 GHADMP O=C(c1cccc(Cl)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1)C(F)(F)F ZINC001210271566 1027419178 /nfs/dbraw/zinc/41/91/78/1027419178.db2.gz UKDOBYXZSVASMQ-UHFFFAOYSA-N 2 1 384.789 3.633 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001203818847 1027631576 /nfs/dbraw/zinc/63/15/76/1027631576.db2.gz LLNSGRNFXPAGOW-QFIPXVFZSA-N 2 1 380.532 3.951 20 0 GHADMP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1OCc1ccccc1 ZINC001203848955 1027654086 /nfs/dbraw/zinc/65/40/86/1027654086.db2.gz FYJQLBLWYVXNEP-UHFFFAOYSA-N 2 1 389.499 3.991 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950507 1027745009 /nfs/dbraw/zinc/74/50/09/1027745009.db2.gz AKNBYAGYMNBHBL-ZTCOLXNVSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950507 1027745024 /nfs/dbraw/zinc/74/50/24/1027745024.db2.gz AKNBYAGYMNBHBL-ZTCOLXNVSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950507 1027745042 /nfs/dbraw/zinc/74/50/42/1027745042.db2.gz AKNBYAGYMNBHBL-ZTCOLXNVSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203950507 1027745058 /nfs/dbraw/zinc/74/50/58/1027745058.db2.gz AKNBYAGYMNBHBL-ZTCOLXNVSA-N 2 1 393.531 3.739 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cs1 ZINC001204036041 1027825872 /nfs/dbraw/zinc/82/58/72/1027825872.db2.gz JJYZDUPODMAONN-GOTSBHOMSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cs1 ZINC001204036041 1027825895 /nfs/dbraw/zinc/82/58/95/1027825895.db2.gz JJYZDUPODMAONN-GOTSBHOMSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)cs1 ZINC001204036041 1027825915 /nfs/dbraw/zinc/82/59/15/1027825915.db2.gz JJYZDUPODMAONN-GOTSBHOMSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)cs1 ZINC001204036041 1027825936 /nfs/dbraw/zinc/82/59/36/1027825936.db2.gz JJYZDUPODMAONN-GOTSBHOMSA-N 2 1 397.588 3.894 20 0 GHADMP Cc1ccc(-c2ccc(C[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc2)cc1 ZINC001142306078 1028647488 /nfs/dbraw/zinc/64/74/88/1028647488.db2.gz XMOMSVVAWRBDHL-UHFFFAOYSA-N 2 1 391.559 3.648 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1cccc(-c3ccccn3)c1)CC2 ZINC001142837390 1029554976 /nfs/dbraw/zinc/55/49/76/1029554976.db2.gz PFHWKGMZGQMPOR-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP Clc1ccc2ncc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)n2n1 ZINC001143003361 1029772066 /nfs/dbraw/zinc/77/20/66/1029772066.db2.gz WGPLWNWPIWQCOE-MOPGFXCFSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)n2n1 ZINC001143003361 1029772074 /nfs/dbraw/zinc/77/20/74/1029772074.db2.gz WGPLWNWPIWQCOE-MOPGFXCFSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)n2n1 ZINC001143003361 1029772079 /nfs/dbraw/zinc/77/20/79/1029772079.db2.gz WGPLWNWPIWQCOE-MOPGFXCFSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)n2n1 ZINC001143003361 1029772089 /nfs/dbraw/zinc/77/20/89/1029772089.db2.gz WGPLWNWPIWQCOE-MOPGFXCFSA-N 2 1 395.938 3.727 20 0 GHADMP c1[nH]nc2cccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)c12 ZINC001143089906 1029837627 /nfs/dbraw/zinc/83/76/27/1029837627.db2.gz BHKDLKCGZSCXJT-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)c12 ZINC001143089906 1029837635 /nfs/dbraw/zinc/83/76/35/1029837635.db2.gz BHKDLKCGZSCXJT-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)c12 ZINC001143089906 1029837647 /nfs/dbraw/zinc/83/76/47/1029837647.db2.gz BHKDLKCGZSCXJT-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1scc3c1OCCO3)CC2 ZINC001143185619 1029889022 /nfs/dbraw/zinc/88/90/22/1029889022.db2.gz LKSHKBDCJFGBQA-IBGZPJMESA-N 2 1 388.533 3.989 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000843360435 1029939500 /nfs/dbraw/zinc/93/95/00/1029939500.db2.gz WKDQSMPJAHPYBR-ZNXRZULTSA-N 2 1 387.325 3.750 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000843360435 1029939509 /nfs/dbraw/zinc/93/95/09/1029939509.db2.gz WKDQSMPJAHPYBR-ZNXRZULTSA-N 2 1 387.325 3.750 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)n1CCc1cccs1 ZINC000843364812 1029941967 /nfs/dbraw/zinc/94/19/67/1029941967.db2.gz VOCNVVKCRAZRTL-UHFFFAOYSA-N 2 1 385.577 3.667 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1CCc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001222215283 1030010870 /nfs/dbraw/zinc/01/08/70/1030010870.db2.gz BHQJEUOHJIDLDW-KRWDZBQOSA-N 2 1 385.335 3.543 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CCc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001222215283 1030010883 /nfs/dbraw/zinc/01/08/83/1030010883.db2.gz BHQJEUOHJIDLDW-KRWDZBQOSA-N 2 1 385.335 3.543 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1cccc(Br)c1Br)CC2 ZINC001222215282 1030012066 /nfs/dbraw/zinc/01/20/66/1030012066.db2.gz BGGPUHRPLWIYIR-UHFFFAOYSA-N 2 1 388.147 3.915 20 0 GHADMP Cc1cccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1OCc1ccccc1 ZINC001222407352 1030111276 /nfs/dbraw/zinc/11/12/76/1030111276.db2.gz GLCVKKGMERKZCI-UHFFFAOYSA-N 2 1 380.532 3.776 20 0 GHADMP Brc1ccc2sc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2c1 ZINC001222407373 1030111370 /nfs/dbraw/zinc/11/13/70/1030111370.db2.gz GZWHCULNKUUBAZ-UHFFFAOYSA-N 2 1 395.366 3.866 20 0 GHADMP Cc1cc(Br)c(Cl)cc1C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222408104 1030112877 /nfs/dbraw/zinc/11/28/77/1030112877.db2.gz ZBRYFMPMOIABKE-UHFFFAOYSA-N 2 1 387.749 3.613 20 0 GHADMP Cc1cc(Br)c(Cl)cc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222408104 1030112886 /nfs/dbraw/zinc/11/28/86/1030112886.db2.gz ZBRYFMPMOIABKE-UHFFFAOYSA-N 2 1 387.749 3.613 20 0 GHADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC001222548409 1030191989 /nfs/dbraw/zinc/19/19/89/1030191989.db2.gz KTCAELDBNPYZSI-UHFFFAOYSA-N 2 1 385.199 3.611 20 0 GHADMP COc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1O ZINC001222576604 1030207991 /nfs/dbraw/zinc/20/79/91/1030207991.db2.gz UPJZOZVORPDVLW-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP COc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1O ZINC001222576604 1030208004 /nfs/dbraw/zinc/20/80/04/1030208004.db2.gz UPJZOZVORPDVLW-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629467 1030250229 /nfs/dbraw/zinc/25/02/29/1030250229.db2.gz ILUDSMRKSWTQBV-HDICACEKSA-N 2 1 384.495 3.941 20 0 GHADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC001222652577 1030262736 /nfs/dbraw/zinc/26/27/36/1030262736.db2.gz XZAXTZLYOJVRTC-WOJBJXKFSA-N 2 1 386.584 3.687 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001218249064 1030851404 /nfs/dbraw/zinc/85/14/04/1030851404.db2.gz WNMONRZUSLDTGR-FCHUYYIVSA-N 2 1 396.531 3.929 20 0 GHADMP C[C@H](O[C@H](CC[NH+](C)C)c1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224132649 1030897906 /nfs/dbraw/zinc/89/79/06/1030897906.db2.gz FFZQLWCBDUFUAG-ZTCOLXNVSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@H](O[C@H](CC[NH+](C)C)c1ccccc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224132649 1030897923 /nfs/dbraw/zinc/89/79/23/1030897923.db2.gz FFZQLWCBDUFUAG-ZTCOLXNVSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@H](O[C@H](CC[NH+](C)C)c1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224132648 1030898664 /nfs/dbraw/zinc/89/86/64/1030898664.db2.gz FFZQLWCBDUFUAG-TUACAJSNSA-N 2 1 382.548 3.986 20 0 GHADMP C[C@H](O[C@H](CC[NH+](C)C)c1ccccc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224132648 1030898676 /nfs/dbraw/zinc/89/86/76/1030898676.db2.gz FFZQLWCBDUFUAG-TUACAJSNSA-N 2 1 382.548 3.986 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC001218342534 1030903362 /nfs/dbraw/zinc/90/33/62/1030903362.db2.gz WTLLMNNVFWPPDX-JXKFMYIUSA-N 2 1 394.515 3.539 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(C(=O)c3cccc4c3CN(Cc3ccccc3)C4)C[C@H]2C1 ZINC001151812678 1031011035 /nfs/dbraw/zinc/01/10/35/1031011035.db2.gz GMVYJBXHISKBGW-SZPZYZBQSA-N 2 1 389.543 3.616 20 0 GHADMP CCC[N@H+]1C[C@H]2CN(C(=O)c3cccc4c3C[NH+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001151812678 1031011053 /nfs/dbraw/zinc/01/10/53/1031011053.db2.gz GMVYJBXHISKBGW-SZPZYZBQSA-N 2 1 389.543 3.616 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(C(=O)c3cccc4c3C[NH+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001151812678 1031011072 /nfs/dbraw/zinc/01/10/72/1031011072.db2.gz GMVYJBXHISKBGW-SZPZYZBQSA-N 2 1 389.543 3.616 20 0 GHADMP CCC[NH+]1C[C@H]2CN(C(=O)c3cccc4c3C[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001151812678 1031011092 /nfs/dbraw/zinc/01/10/92/1031011092.db2.gz GMVYJBXHISKBGW-SZPZYZBQSA-N 2 1 389.543 3.616 20 0 GHADMP CCC[NH+]1C[C@H]2CN(C(=O)c3cccc4c3C[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001151812678 1031011111 /nfs/dbraw/zinc/01/11/11/1031011111.db2.gz GMVYJBXHISKBGW-SZPZYZBQSA-N 2 1 389.543 3.616 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)c1 ZINC001218883392 1031132610 /nfs/dbraw/zinc/13/26/10/1031132610.db2.gz JICMNWRZKIUYLV-XXBNENTESA-N 2 1 396.535 3.542 20 0 GHADMP CC(C)(C[NH3+])c1ccc(NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)cc1 ZINC001218899336 1031139826 /nfs/dbraw/zinc/13/98/26/1031139826.db2.gz XTIODHBPZSPHHL-UHFFFAOYSA-N 2 1 377.532 3.916 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001224843838 1031145389 /nfs/dbraw/zinc/14/53/89/1031145389.db2.gz DVXFAVWETYQKNB-FGYAAKKASA-N 2 1 394.648 3.799 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H](C[NH3+])c3ccccc3)cccc2[C@H](c2ccccc2)C1 ZINC001219047011 1031228869 /nfs/dbraw/zinc/22/88/69/1031228869.db2.gz OBSBLUGNBLAUKN-YADHBBJMSA-N 2 1 385.511 3.945 20 0 GHADMP CC(C)(C)Sc1ccccc1NC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219224014 1031312297 /nfs/dbraw/zinc/31/22/97/1031312297.db2.gz QCHYGWIQOQJZKQ-MRXNPFEDSA-N 2 1 375.582 3.980 20 0 GHADMP C[C@@H]([NH3+])c1ncc(C(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)s1 ZINC001219489187 1031455862 /nfs/dbraw/zinc/45/58/62/1031455862.db2.gz KTWPPVRYUDUOPE-KDOFPFPSSA-N 2 1 384.549 3.758 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2cccc(F)c2I)CC1 ZINC001204381665 1031543178 /nfs/dbraw/zinc/54/31/78/1031543178.db2.gz JAJFVOCRJOEWQK-UHFFFAOYSA-N 2 1 390.284 3.594 20 0 GHADMP C[C@H](C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001219716614 1031577804 /nfs/dbraw/zinc/57/78/04/1031577804.db2.gz VAMXADZUDYBAID-DXIQSLLYSA-N 2 1 391.559 3.601 20 0 GHADMP C[C@H](C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001219716617 1031578055 /nfs/dbraw/zinc/57/80/55/1031578055.db2.gz VAMXADZUDYBAID-XQBPLPMBSA-N 2 1 391.559 3.601 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001225757296 1031584697 /nfs/dbraw/zinc/58/46/97/1031584697.db2.gz QKXWLAUWHKUCFM-JOCHJYFZSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219825227 1031639607 /nfs/dbraw/zinc/63/96/07/1031639607.db2.gz FKQAWIRKWNYKHJ-WMZOPIPTSA-N 2 1 389.952 3.574 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC001220470333 1031953736 /nfs/dbraw/zinc/95/37/36/1031953736.db2.gz BYUHADCTCXVGJJ-PMACEKPBSA-N 2 1 386.584 3.543 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC001220470334 1031953761 /nfs/dbraw/zinc/95/37/61/1031953761.db2.gz BYUHADCTCXVGJJ-UXHICEINSA-N 2 1 386.584 3.543 20 0 GHADMP CSc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC001220627210 1032027607 /nfs/dbraw/zinc/02/76/07/1032027607.db2.gz WEAZLDMVKQNGPR-UWVAXJGDSA-N 2 1 392.613 3.573 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC001220636056 1032035971 /nfs/dbraw/zinc/03/59/71/1032035971.db2.gz CXDGOEIRTSKTAH-QFIPXVFZSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001220639448 1032037841 /nfs/dbraw/zinc/03/78/41/1032037841.db2.gz OFDFMTDAXSIAOA-KCZVDYSFSA-N 2 1 392.632 3.698 20 0 GHADMP c1ccc(C[N@@H+]2CCOC[C@H](Oc3cccc(C[NH+]4CCCCC4)c3)C2)cc1 ZINC001229449058 1033487011 /nfs/dbraw/zinc/48/70/11/1033487011.db2.gz VRTKSNICLZZLTM-XMMPIXPASA-N 2 1 380.532 3.952 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)n1 ZINC001157269381 1033503292 /nfs/dbraw/zinc/50/32/92/1033503292.db2.gz BEQDOVQFXFOOJN-DLBZAZTESA-N 2 1 387.597 3.680 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)n1 ZINC001157269381 1033503301 /nfs/dbraw/zinc/50/33/01/1033503301.db2.gz BEQDOVQFXFOOJN-DLBZAZTESA-N 2 1 387.597 3.680 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC001205653931 1033511271 /nfs/dbraw/zinc/51/12/71/1033511271.db2.gz VWNPEDRCJUIYTM-VXGBXAGGSA-N 2 1 377.273 3.857 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001229569966 1033562979 /nfs/dbraw/zinc/56/29/79/1033562979.db2.gz PZKZVTASINUDPZ-JAXLGGSGSA-N 2 1 388.600 3.974 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001229569966 1033562990 /nfs/dbraw/zinc/56/29/90/1033562990.db2.gz PZKZVTASINUDPZ-JAXLGGSGSA-N 2 1 388.600 3.974 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001229569966 1033562996 /nfs/dbraw/zinc/56/29/96/1033562996.db2.gz PZKZVTASINUDPZ-JAXLGGSGSA-N 2 1 388.600 3.974 20 0 GHADMP O=C(Nc1ccc2c[nH+]cn2c1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001157396960 1033567084 /nfs/dbraw/zinc/56/70/84/1033567084.db2.gz SPPKUULZSOHDEM-IBGZPJMESA-N 2 1 388.393 3.727 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC001157496320 1033620999 /nfs/dbraw/zinc/62/09/99/1033620999.db2.gz VNUXXPYGINAEOI-RTBURBONSA-N 2 1 392.330 3.899 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC001157496320 1033621004 /nfs/dbraw/zinc/62/10/04/1033621004.db2.gz VNUXXPYGINAEOI-RTBURBONSA-N 2 1 392.330 3.899 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246524289 1033698517 /nfs/dbraw/zinc/69/85/17/1033698517.db2.gz FVJXWCVRMABRCE-LWSSLDFYSA-N 2 1 384.564 3.688 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@@](F)(C[NH3+])CC1)c1ccccc1 ZINC001157744608 1033749284 /nfs/dbraw/zinc/74/92/84/1033749284.db2.gz KDKLSPDDQOOVDY-GGAORHGYSA-N 2 1 383.511 3.539 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@@](F)(C[NH3+])CC1)c1ccccc1 ZINC001157744608 1033749296 /nfs/dbraw/zinc/74/92/96/1033749296.db2.gz KDKLSPDDQOOVDY-GGAORHGYSA-N 2 1 383.511 3.539 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206317611 1033793366 /nfs/dbraw/zinc/79/33/66/1033793366.db2.gz ICJHJTDPSVLQFP-FQEVSTJZSA-N 2 1 377.916 3.949 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157991431 1033858241 /nfs/dbraw/zinc/85/82/41/1033858241.db2.gz ZXKUYNLAHSKSHT-ZRBLBEILSA-N 2 1 391.559 3.644 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157991431 1033858255 /nfs/dbraw/zinc/85/82/55/1033858255.db2.gz ZXKUYNLAHSKSHT-ZRBLBEILSA-N 2 1 391.559 3.644 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157991431 1033858264 /nfs/dbraw/zinc/85/82/64/1033858264.db2.gz ZXKUYNLAHSKSHT-ZRBLBEILSA-N 2 1 391.559 3.644 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157991431 1033858271 /nfs/dbraw/zinc/85/82/71/1033858271.db2.gz ZXKUYNLAHSKSHT-ZRBLBEILSA-N 2 1 391.559 3.644 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3cnc4ccc(C[NH3+])cc43)c2c1C ZINC001158008882 1033865611 /nfs/dbraw/zinc/86/56/11/1033865611.db2.gz KRCKVMPUWYYMGL-UHFFFAOYSA-N 2 1 392.532 3.702 20 0 GHADMP CC(C)[N@@H+](Cc1cc(I)cs1)[C@@H]1CCC[NH2+]CC1 ZINC001206591628 1033917818 /nfs/dbraw/zinc/91/78/18/1033917818.db2.gz UIMVOQBPVNDIPX-CYBMUJFWSA-N 2 1 378.323 3.705 20 0 GHADMP Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206717230 1033957213 /nfs/dbraw/zinc/95/72/13/1033957213.db2.gz PDZFMVSZFPDTFU-DEOSSOPVSA-N 2 1 380.532 3.871 20 0 GHADMP Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206717230 1033957216 /nfs/dbraw/zinc/95/72/16/1033957216.db2.gz PDZFMVSZFPDTFU-DEOSSOPVSA-N 2 1 380.532 3.871 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001206749722 1033968347 /nfs/dbraw/zinc/96/83/47/1033968347.db2.gz UXOLVRWCXSIRIR-HXUWFJFHSA-N 2 1 384.520 3.852 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(OCc2ccccc2)cc1OC ZINC001206772128 1033977716 /nfs/dbraw/zinc/97/77/16/1033977716.db2.gz YMVDAILNEBBSGN-IEBWSBKVSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)c(OCc2ccccc2)cc1OC ZINC001206772128 1033977719 /nfs/dbraw/zinc/97/77/19/1033977719.db2.gz YMVDAILNEBBSGN-IEBWSBKVSA-N 2 1 384.520 3.842 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cncc(F)c1)CC2 ZINC001207021309 1034058372 /nfs/dbraw/zinc/05/83/72/1034058372.db2.gz WLGXZZUVSJGNOW-GOSISDBHSA-N 2 1 375.513 3.538 20 0 GHADMP FC(F)c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207129166 1034114406 /nfs/dbraw/zinc/11/44/06/1034114406.db2.gz PYZPTQUCQCSPRB-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207129166 1034114415 /nfs/dbraw/zinc/11/44/15/1034114415.db2.gz PYZPTQUCQCSPRB-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001207129166 1034114422 /nfs/dbraw/zinc/11/44/22/1034114422.db2.gz PYZPTQUCQCSPRB-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP COCCN1CCOC[C@]2(CCC[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC001207182499 1034150629 /nfs/dbraw/zinc/15/06/29/1034150629.db2.gz LBNOQSOIMOBFHE-BAGYTPMASA-N 2 1 392.971 3.504 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001207286033 1034236871 /nfs/dbraw/zinc/23/68/71/1034236871.db2.gz CDHVVRPHELSDCQ-FGZHOGPDSA-N 2 1 399.579 3.840 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCO[C@H](COc4ccccc4)C3)CC2)cc1 ZINC001207292350 1034243827 /nfs/dbraw/zinc/24/38/27/1034243827.db2.gz OZSJNPKFVYLNIX-DEOSSOPVSA-N 2 1 380.532 3.678 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001230866856 1034258634 /nfs/dbraw/zinc/25/86/34/1034258634.db2.gz FVJPKQFBHQRWQY-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001230866856 1034258642 /nfs/dbraw/zinc/25/86/42/1034258642.db2.gz FVJPKQFBHQRWQY-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001230866856 1034258652 /nfs/dbraw/zinc/25/86/52/1034258652.db2.gz FVJPKQFBHQRWQY-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP C[NH+]1CCC(C[N@@H+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001207401630 1034342291 /nfs/dbraw/zinc/34/22/91/1034342291.db2.gz PYTRTIYWUYTIDU-MXVIHJGJSA-N 2 1 379.589 3.876 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001207479120 1034390168 /nfs/dbraw/zinc/39/01/68/1034390168.db2.gz MDJPBHDZKHNXOK-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001207479120 1034390183 /nfs/dbraw/zinc/39/01/83/1034390183.db2.gz MDJPBHDZKHNXOK-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001207479120 1034390196 /nfs/dbraw/zinc/39/01/96/1034390196.db2.gz MDJPBHDZKHNXOK-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP C[NH+]1CCC(CC[N@@H+](C2CCC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207488742 1034394454 /nfs/dbraw/zinc/39/44/54/1034394454.db2.gz QDHRXHHEMGMNNV-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP Fc1ccccc1CCN1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001207498871 1034403637 /nfs/dbraw/zinc/40/36/37/1034403637.db2.gz BMTSSVQLRIFFJP-NRFANRHFSA-N 2 1 389.465 3.997 20 0 GHADMP Fc1ccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001207513961 1034421188 /nfs/dbraw/zinc/42/11/88/1034421188.db2.gz SUDCNKRIBOHYFA-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001207513961 1034421192 /nfs/dbraw/zinc/42/11/92/1034421192.db2.gz SUDCNKRIBOHYFA-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP Fc1ccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001207513961 1034421200 /nfs/dbraw/zinc/42/12/00/1034421200.db2.gz SUDCNKRIBOHYFA-VWNXMTODSA-N 2 1 386.555 3.829 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001231264250 1034492395 /nfs/dbraw/zinc/49/23/95/1034492395.db2.gz VEZJBPBXAWHPOY-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001231264250 1034492400 /nfs/dbraw/zinc/49/24/00/1034492400.db2.gz VEZJBPBXAWHPOY-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001231264250 1034492405 /nfs/dbraw/zinc/49/24/05/1034492405.db2.gz VEZJBPBXAWHPOY-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@H+](C)C1CC[NH+](C[C@H]2[C@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207825906 1034602473 /nfs/dbraw/zinc/60/24/73/1034602473.db2.gz DBNKIUNUOUMUFL-WBVHZDCISA-N 2 1 389.531 3.541 20 0 GHADMP CC[N@@H+](C)C1CC[NH+](C[C@H]2[C@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207825906 1034602483 /nfs/dbraw/zinc/60/24/83/1034602483.db2.gz DBNKIUNUOUMUFL-WBVHZDCISA-N 2 1 389.531 3.541 20 0 GHADMP C[NH+](C)[C@@H](CNc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(Cl)cc1Cl ZINC001159515792 1034631826 /nfs/dbraw/zinc/63/18/26/1034631826.db2.gz QNINTTIEXFFQFO-SFHVURJKSA-N 2 1 394.350 3.513 20 0 GHADMP Cc1ccc(CCC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)o1 ZINC001207948360 1034678325 /nfs/dbraw/zinc/67/83/25/1034678325.db2.gz SPUOFOMRMSWSQC-UHFFFAOYSA-N 2 1 383.536 3.530 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CCCC1 ZINC001208185505 1034781934 /nfs/dbraw/zinc/78/19/34/1034781934.db2.gz OZKZKULFEQXTRD-PGRDOPGGSA-N 2 1 397.579 3.779 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208208423 1034798263 /nfs/dbraw/zinc/79/82/63/1034798263.db2.gz GAYSIIZKDZXRFS-QRQLOZEOSA-N 2 1 384.545 3.719 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208208423 1034798282 /nfs/dbraw/zinc/79/82/82/1034798282.db2.gz GAYSIIZKDZXRFS-QRQLOZEOSA-N 2 1 384.545 3.719 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208208423 1034798295 /nfs/dbraw/zinc/79/82/95/1034798295.db2.gz GAYSIIZKDZXRFS-QRQLOZEOSA-N 2 1 384.545 3.719 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208208423 1034798307 /nfs/dbraw/zinc/79/83/07/1034798307.db2.gz GAYSIIZKDZXRFS-QRQLOZEOSA-N 2 1 384.545 3.719 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231666341 1034821782 /nfs/dbraw/zinc/82/17/82/1034821782.db2.gz UBRBOXMZTNVTML-LJQANCHMSA-N 2 1 396.560 3.880 20 0 GHADMP CCCCC[C@H]([NH2+]C)C(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001160295360 1034931946 /nfs/dbraw/zinc/93/19/46/1034931946.db2.gz LIQUNJWSALXFET-RBBKRZOGSA-N 2 1 375.532 3.561 20 0 GHADMP CCCCC[C@H]([NH2+]C)C(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001160295360 1034931953 /nfs/dbraw/zinc/93/19/53/1034931953.db2.gz LIQUNJWSALXFET-RBBKRZOGSA-N 2 1 375.532 3.561 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608138 1034952443 /nfs/dbraw/zinc/95/24/43/1034952443.db2.gz PYZLQIPHGJZGAS-AZUAARDMSA-N 2 1 379.589 3.830 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608138 1034952445 /nfs/dbraw/zinc/95/24/45/1034952445.db2.gz PYZLQIPHGJZGAS-AZUAARDMSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608138 1034952451 /nfs/dbraw/zinc/95/24/51/1034952451.db2.gz PYZLQIPHGJZGAS-AZUAARDMSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608138 1034952452 /nfs/dbraw/zinc/95/24/52/1034952452.db2.gz PYZLQIPHGJZGAS-AZUAARDMSA-N 2 1 379.589 3.830 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001208615150 1034954975 /nfs/dbraw/zinc/95/49/75/1034954975.db2.gz QNISEWIKMZTUTF-QFIPXVFZSA-N 2 1 379.548 3.729 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C1 ZINC001208615150 1034954981 /nfs/dbraw/zinc/95/49/81/1034954981.db2.gz QNISEWIKMZTUTF-QFIPXVFZSA-N 2 1 379.548 3.729 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCOCCOCc4ccccc4)C[C@@H]3C2)cc1 ZINC001208742374 1034993900 /nfs/dbraw/zinc/99/39/00/1034993900.db2.gz BEEAOWSZWNKKPH-JWQCQUIFSA-N 2 1 394.559 3.592 20 0 GHADMP Clc1ccc(CC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001208745007 1034996111 /nfs/dbraw/zinc/99/61/11/1034996111.db2.gz VXZFHVJERLFTSS-UHFFFAOYSA-N 2 1 399.966 3.892 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001208781116 1035017233 /nfs/dbraw/zinc/01/72/33/1035017233.db2.gz DHRZPIXVIADHTQ-LJQANCHMSA-N 2 1 387.568 3.737 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)[NH+]2CCCC2)cc1 ZINC001160655834 1035026420 /nfs/dbraw/zinc/02/64/20/1035026420.db2.gz CXRUSSFCIXIEPA-VXNXHJTFSA-N 2 1 391.559 3.941 20 0 GHADMP O=C(C=C1CC[NH2+]CC1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160683026 1035035916 /nfs/dbraw/zinc/03/59/16/1035035916.db2.gz JQUCUBDJGMRZJC-XMMPIXPASA-N 2 1 389.543 3.600 20 0 GHADMP c1c(C[N@H+]2CCc3c(COCc4ccccn4)cncc3C2)[nH]c2cc[nH+]cc12 ZINC001232014197 1035043573 /nfs/dbraw/zinc/04/35/73/1035043573.db2.gz ZWVLMHCEBPXGIZ-UHFFFAOYSA-N 2 1 385.471 3.628 20 0 GHADMP c1c(C[N@@H+]2CCc3c(COCc4ccccn4)cncc3C2)[nH]c2cc[nH+]cc12 ZINC001232014197 1035043581 /nfs/dbraw/zinc/04/35/81/1035043581.db2.gz ZWVLMHCEBPXGIZ-UHFFFAOYSA-N 2 1 385.471 3.628 20 0 GHADMP CC(C)(C)[C@H](C[NH3+])Nc1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001160914232 1035091634 /nfs/dbraw/zinc/09/16/34/1035091634.db2.gz KVMSPQYALXTQJP-INIZCTEOSA-N 2 1 387.597 3.951 20 0 GHADMP COc1ccc(-c2c(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cnn2C)cc1 ZINC001232112499 1035101510 /nfs/dbraw/zinc/10/15/10/1035101510.db2.gz MKWGTJIEGMVCLM-LEWJYISDSA-N 2 1 382.552 3.935 20 0 GHADMP COc1ccc(-c2c(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cnn2C)cc1 ZINC001232112499 1035101513 /nfs/dbraw/zinc/10/15/13/1035101513.db2.gz MKWGTJIEGMVCLM-LEWJYISDSA-N 2 1 382.552 3.935 20 0 GHADMP COc1ccc(-c2c(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cnn2C)cc1 ZINC001232112499 1035101517 /nfs/dbraw/zinc/10/15/17/1035101517.db2.gz MKWGTJIEGMVCLM-LEWJYISDSA-N 2 1 382.552 3.935 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001160956033 1035106039 /nfs/dbraw/zinc/10/60/39/1035106039.db2.gz FKKWXSFOZIDXAG-UQAQOTMJSA-N 2 1 391.559 3.706 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942628 1035112255 /nfs/dbraw/zinc/11/22/55/1035112255.db2.gz QPAHZJWQQSFBNK-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942628 1035112258 /nfs/dbraw/zinc/11/22/58/1035112258.db2.gz QPAHZJWQQSFBNK-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942628 1035112261 /nfs/dbraw/zinc/11/22/61/1035112261.db2.gz QPAHZJWQQSFBNK-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP Fc1ccc(OC2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208944128 1035113149 /nfs/dbraw/zinc/11/31/49/1035113149.db2.gz NYHQQAIHARHIMJ-HXUWFJFHSA-N 2 1 383.511 3.976 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001208949690 1035120148 /nfs/dbraw/zinc/12/01/48/1035120148.db2.gz NJOLEESWUDAWRS-SDHOMARFSA-N 2 1 375.560 3.572 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001232143924 1035121727 /nfs/dbraw/zinc/12/17/27/1035121727.db2.gz DYUCLPCAEGKPSW-LJQANCHMSA-N 2 1 379.520 3.767 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC001232143924 1035121731 /nfs/dbraw/zinc/12/17/31/1035121731.db2.gz DYUCLPCAEGKPSW-LJQANCHMSA-N 2 1 379.520 3.767 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)c1 ZINC001232144637 1035122095 /nfs/dbraw/zinc/12/20/95/1035122095.db2.gz LVQHGCBMYAPWAN-QUCCMNQESA-N 2 1 391.531 3.719 20 0 GHADMP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951258 1035122174 /nfs/dbraw/zinc/12/21/74/1035122174.db2.gz ATARSAIWQYASIT-HXUWFJFHSA-N 2 1 375.557 3.744 20 0 GHADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951258 1035122178 /nfs/dbraw/zinc/12/21/78/1035122178.db2.gz ATARSAIWQYASIT-HXUWFJFHSA-N 2 1 375.557 3.744 20 0 GHADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951258 1035122181 /nfs/dbraw/zinc/12/21/81/1035122181.db2.gz ATARSAIWQYASIT-HXUWFJFHSA-N 2 1 375.557 3.744 20 0 GHADMP CC(C)[NH+](CCNC(=O)OC(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951258 1035122185 /nfs/dbraw/zinc/12/21/85/1035122185.db2.gz ATARSAIWQYASIT-HXUWFJFHSA-N 2 1 375.557 3.744 20 0 GHADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951601 1035123761 /nfs/dbraw/zinc/12/37/61/1035123761.db2.gz AADVHTZPRCWGGA-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP C[NH+](CCCCNC(=O)OC(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951601 1035123767 /nfs/dbraw/zinc/12/37/67/1035123767.db2.gz AADVHTZPRCWGGA-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP C[NH+](CCCCNC(=O)OC(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951601 1035123772 /nfs/dbraw/zinc/12/37/72/1035123772.db2.gz AADVHTZPRCWGGA-HXUWFJFHSA-N 2 1 375.557 3.745 20 0 GHADMP Fc1ccc(C[N@H+]2CCCN(C[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123906 /nfs/dbraw/zinc/12/39/06/1035123906.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(C[NH+]2CCCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123908 /nfs/dbraw/zinc/12/39/08/1035123908.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(C[NH+]2CCCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123911 /nfs/dbraw/zinc/12/39/11/1035123911.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(CN2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123916 /nfs/dbraw/zinc/12/39/16/1035123916.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(CN2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123920 /nfs/dbraw/zinc/12/39/20/1035123920.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(CN2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123924 /nfs/dbraw/zinc/12/39/24/1035123924.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(CN2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951725 1035123928 /nfs/dbraw/zinc/12/39/28/1035123928.db2.gz FCHPDQJUTNHAQM-QHCPKHFHSA-N 2 1 381.539 3.856 20 0 GHADMP COc1ccccc1[C@@H](O)C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208952139 1035124385 /nfs/dbraw/zinc/12/43/85/1035124385.db2.gz HKVQAVYESYYGEL-GGAORHGYSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@@H](O)C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208952139 1035124390 /nfs/dbraw/zinc/12/43/90/1035124390.db2.gz HKVQAVYESYYGEL-GGAORHGYSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@@H](O)C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208952139 1035124394 /nfs/dbraw/zinc/12/43/94/1035124394.db2.gz HKVQAVYESYYGEL-GGAORHGYSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@@H](O)C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208952139 1035124399 /nfs/dbraw/zinc/12/43/99/1035124399.db2.gz HKVQAVYESYYGEL-GGAORHGYSA-N 2 1 382.548 3.961 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208955873 1035127035 /nfs/dbraw/zinc/12/70/35/1035127035.db2.gz GENPPQOBUDMTRA-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208955873 1035127040 /nfs/dbraw/zinc/12/70/40/1035127040.db2.gz GENPPQOBUDMTRA-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208955873 1035127046 /nfs/dbraw/zinc/12/70/46/1035127046.db2.gz GENPPQOBUDMTRA-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208955873 1035127052 /nfs/dbraw/zinc/12/70/52/1035127052.db2.gz GENPPQOBUDMTRA-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP CN(C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062888 1035129724 /nfs/dbraw/zinc/12/97/24/1035129724.db2.gz KXUPOKXZFWPLAK-RTBURBONSA-N 2 1 398.378 3.934 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CC[NH+](C)[C@H]3c3ccccc3)sc2C1 ZINC001161143576 1035157501 /nfs/dbraw/zinc/15/75/01/1035157501.db2.gz MFNOZXLNJMLKEV-LPHOPBHVSA-N 2 1 384.549 3.541 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CC[NH+](C)[C@H]3c3ccccc3)sc2C1 ZINC001161143576 1035157509 /nfs/dbraw/zinc/15/75/09/1035157509.db2.gz MFNOZXLNJMLKEV-LPHOPBHVSA-N 2 1 384.549 3.541 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)sc2C1 ZINC001161143576 1035157512 /nfs/dbraw/zinc/15/75/12/1035157512.db2.gz MFNOZXLNJMLKEV-LPHOPBHVSA-N 2 1 384.549 3.541 20 0 GHADMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)sc2C1 ZINC001161143576 1035157517 /nfs/dbraw/zinc/15/75/17/1035157517.db2.gz MFNOZXLNJMLKEV-LPHOPBHVSA-N 2 1 384.549 3.541 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCc1cc(F)cc(F)c1)CC2 ZINC001209129675 1035185990 /nfs/dbraw/zinc/18/59/90/1035185990.db2.gz BQAGFORMNTVTCM-FQEVSTJZSA-N 2 1 390.474 3.856 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](CCc1cccs1)CC2 ZINC001209223172 1035210110 /nfs/dbraw/zinc/21/01/10/1035210110.db2.gz UHAFFMNLGKVQNI-FQEVSTJZSA-N 2 1 392.609 3.520 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(c2ccncn2)c2nc(Cl)ccc2C[NH+]2CCCC2)CC1 ZINC001161366090 1035217704 /nfs/dbraw/zinc/21/77/04/1035217704.db2.gz SYTRRCZLNJEALI-QAQDUYKDSA-N 2 1 386.931 3.529 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209286536 1035231921 /nfs/dbraw/zinc/23/19/21/1035231921.db2.gz UQNHTQRDAQZIPS-TZIWHRDSSA-N 2 1 396.497 3.928 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209286536 1035231923 /nfs/dbraw/zinc/23/19/23/1035231923.db2.gz UQNHTQRDAQZIPS-TZIWHRDSSA-N 2 1 396.497 3.928 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209286536 1035231927 /nfs/dbraw/zinc/23/19/27/1035231927.db2.gz UQNHTQRDAQZIPS-TZIWHRDSSA-N 2 1 396.497 3.928 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccccc3C(F)(F)F)C2)C1 ZINC001209286536 1035231929 /nfs/dbraw/zinc/23/19/29/1035231929.db2.gz UQNHTQRDAQZIPS-TZIWHRDSSA-N 2 1 396.497 3.928 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3cc4c(nn3)CC[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161464038 1035236147 /nfs/dbraw/zinc/23/61/47/1035236147.db2.gz XNJKVTKIAWZLNE-ISKFKSNPSA-N 2 1 399.542 3.593 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001209339990 1035245690 /nfs/dbraw/zinc/24/56/90/1035245690.db2.gz KWKGCICPQWBETJ-UHFFFAOYSA-N 2 1 385.549 3.576 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001209339990 1035245695 /nfs/dbraw/zinc/24/56/95/1035245695.db2.gz KWKGCICPQWBETJ-UHFFFAOYSA-N 2 1 385.549 3.576 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]21 ZINC001209451071 1035277300 /nfs/dbraw/zinc/27/73/00/1035277300.db2.gz ZKHUWTMQIOFKRN-QUCCMNQESA-N 2 1 382.527 3.674 20 0 GHADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001161749610 1035295450 /nfs/dbraw/zinc/29/54/50/1035295450.db2.gz YZYMMDWRASHTFI-FQEVSTJZSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001161749610 1035295454 /nfs/dbraw/zinc/29/54/54/1035295454.db2.gz YZYMMDWRASHTFI-FQEVSTJZSA-N 2 1 377.532 3.629 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC001209511465 1035298136 /nfs/dbraw/zinc/29/81/36/1035298136.db2.gz UWHIHNJQVBWYFJ-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC001209511465 1035298137 /nfs/dbraw/zinc/29/81/37/1035298137.db2.gz UWHIHNJQVBWYFJ-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC001209511465 1035298138 /nfs/dbraw/zinc/29/81/38/1035298138.db2.gz UWHIHNJQVBWYFJ-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC001209511465 1035298139 /nfs/dbraw/zinc/29/81/39/1035298139.db2.gz UWHIHNJQVBWYFJ-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CC[C@@H]21 ZINC001209511465 1035298141 /nfs/dbraw/zinc/29/81/41/1035298141.db2.gz UWHIHNJQVBWYFJ-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(OC(F)(F)F)c2)no1 ZINC001248194990 1035624119 /nfs/dbraw/zinc/62/41/19/1035624119.db2.gz QSLQDLLOGQBUMG-ZDUSSCGKSA-N 2 1 376.354 3.506 20 0 GHADMP [NH3+][C@@H](Cc1cccc(F)c1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248213692 1035645502 /nfs/dbraw/zinc/64/55/02/1035645502.db2.gz LBUMHAFWFWLEPB-HCWHUNCVSA-N 2 1 379.439 3.580 20 0 GHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(-c3ccc(OCC[NH+]4CCCCC4)cc3)cn12 ZINC001241759429 1035680827 /nfs/dbraw/zinc/68/08/27/1035680827.db2.gz PPOMXOMCIPAVRN-UHFFFAOYSA-N 3 1 376.504 3.553 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC001241877659 1035735487 /nfs/dbraw/zinc/73/54/87/1035735487.db2.gz UBLMGOJXRHGIHX-LJQANCHMSA-N 2 1 392.547 3.511 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC001241877659 1035735506 /nfs/dbraw/zinc/73/55/06/1035735506.db2.gz UBLMGOJXRHGIHX-LJQANCHMSA-N 2 1 392.547 3.511 20 0 GHADMP CC[NH+](CC)Cc1ccc(F)c(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC001241880375 1035739790 /nfs/dbraw/zinc/73/97/90/1035739790.db2.gz XFPDYSYWMMTDLF-UHFFFAOYSA-N 2 1 383.511 3.722 20 0 GHADMP C[C@@H](N[C@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462056996 1069970511 /nfs/dbraw/zinc/97/05/11/1069970511.db2.gz AZGQXWAEKGEABD-HGHGUNKESA-N 2 1 385.939 3.757 20 0 GHADMP Fc1cc(-c2noc([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001248899822 1036228742 /nfs/dbraw/zinc/22/87/42/1036228742.db2.gz NMXMXHKJSMJOGJ-BKEDOTJMSA-N 2 1 379.439 3.606 20 0 GHADMP CCCN1CCC[N@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC001462106356 1069997340 /nfs/dbraw/zinc/99/73/40/1069997340.db2.gz WYULPICKMQCJKM-DEOSSOPVSA-N 2 1 385.596 3.869 20 0 GHADMP CCCN1CCC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC001462106356 1069997343 /nfs/dbraw/zinc/99/73/43/1069997343.db2.gz WYULPICKMQCJKM-DEOSSOPVSA-N 2 1 385.596 3.869 20 0 GHADMP CCCN1CCC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC001462106356 1069997345 /nfs/dbraw/zinc/99/73/45/1069997345.db2.gz WYULPICKMQCJKM-DEOSSOPVSA-N 2 1 385.596 3.869 20 0 GHADMP CCCN1CCC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC001462106356 1069997349 /nfs/dbraw/zinc/99/73/49/1069997349.db2.gz WYULPICKMQCJKM-DEOSSOPVSA-N 2 1 385.596 3.869 20 0 GHADMP CC(C)(C)[C@@]1(C[NH2+]CCCCCS(C)(=O)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462127519 1070018678 /nfs/dbraw/zinc/01/86/78/1070018678.db2.gz LIICZBTUJQSELF-JOCHJYFZSA-N 2 1 394.625 3.729 20 0 GHADMP O[C@H](C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246002791 1037123308 /nfs/dbraw/zinc/12/33/08/1037123308.db2.gz BTLZKXUHTNKGOA-GOSISDBHSA-N 2 1 382.401 3.746 20 0 GHADMP O[C@@H](C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246007875 1037126899 /nfs/dbraw/zinc/12/68/99/1037126899.db2.gz QIRJJYRNHVGVLV-SFHVURJKSA-N 2 1 382.401 3.746 20 0 GHADMP CC(C)[N@@H+](C[C@@H](O)COCc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC001246019619 1037138160 /nfs/dbraw/zinc/13/81/60/1037138160.db2.gz GMKLFOKNPKVPTO-JKSUJKDBSA-N 2 1 389.367 3.723 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246051992 1037163319 /nfs/dbraw/zinc/16/33/19/1037163319.db2.gz KXOKHWHPBARCRD-SIKLNZKXSA-N 2 1 382.548 3.824 20 0 GHADMP CSc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246053683 1037165010 /nfs/dbraw/zinc/16/50/10/1037165010.db2.gz UQHNREFLSKCRMV-XUVXKRRUSA-N 2 1 392.515 3.755 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H](O)COc2cccc3ccccc32)CC2CCC2)CC1 ZINC001246054681 1037168267 /nfs/dbraw/zinc/16/82/67/1037168267.db2.gz IDRDRSBKRSDMKT-FKBYEOEOSA-N 2 1 382.548 3.952 20 0 GHADMP CC1(C)CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)CC(C)(C)O1 ZINC001246118817 1037201692 /nfs/dbraw/zinc/20/16/92/1037201692.db2.gz BFPQTVYPUKVHQX-OAQYLSRUSA-N 3 1 399.623 3.814 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)cc1 ZINC001246190709 1037229375 /nfs/dbraw/zinc/22/93/75/1037229375.db2.gz MFJSVPNIQRQSPO-UNMCSNQZSA-N 2 1 384.495 3.823 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CCC3(CC[NH2+]CC3)CC2)c2ccccc12 ZINC001246199295 1037234901 /nfs/dbraw/zinc/23/49/01/1037234901.db2.gz UKITXQMFGRQDQL-FQEVSTJZSA-N 2 1 383.536 3.559 20 0 GHADMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001246205955 1037238740 /nfs/dbraw/zinc/23/87/40/1037238740.db2.gz CGPVVNFBWQKLNA-MHJFOBGBSA-N 2 1 376.541 3.553 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H](n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)CC[NH2+]1 ZINC001246295086 1037282264 /nfs/dbraw/zinc/28/22/64/1037282264.db2.gz SNJYOZVKBHYSFW-REWPJTCUSA-N 2 1 382.596 3.946 20 0 GHADMP C[C@H]1CC[C@@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C[NH2+]1 ZINC001246310176 1037290461 /nfs/dbraw/zinc/29/04/61/1037290461.db2.gz FWNMKDPIKSBBPZ-WEYGHZABSA-N 2 1 391.515 3.568 20 0 GHADMP COc1ccc(C2(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246379400 1037337083 /nfs/dbraw/zinc/33/70/83/1037337083.db2.gz DJNLYATXVOSYOU-SIKLNZKXSA-N 2 1 379.548 3.527 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH2+]Cc3ccc4nnc(-c5ccccc5)n4c3)CC[NH2+]2)cc1 ZINC001246385960 1037346541 /nfs/dbraw/zinc/34/65/41/1037346541.db2.gz GGUCYEKDUWNOEK-XZOQPEGZSA-N 2 1 397.526 3.849 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC[NH2+]1 ZINC001246388881 1037349669 /nfs/dbraw/zinc/34/96/69/1037349669.db2.gz NFWZPHOPFRVWMF-WOJBJXKFSA-N 2 1 381.499 3.936 20 0 GHADMP [NH3+]CCC[C@H]([NH2+]C1CCC(Oc2ccccc2)CC1)C(=O)OCc1ccccc1 ZINC001246401837 1037360199 /nfs/dbraw/zinc/36/01/99/1037360199.db2.gz POBIYUBPERNUMB-SDVLMSEASA-N 2 1 396.531 3.817 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246411607 1037366847 /nfs/dbraw/zinc/36/68/47/1037366847.db2.gz AYXWTQCVNQKEMN-GMAHTHKFSA-N 3 1 396.554 3.524 20 0 GHADMP COc1cccc(C2(N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC[NH2+]CC2)c1 ZINC001246413982 1037370259 /nfs/dbraw/zinc/37/02/59/1037370259.db2.gz HQOTVGOBKSULTD-REWPJTCUSA-N 2 1 393.575 3.917 20 0 GHADMP Clc1ccc(CC2(C[NH2+]C3CCN(CC4CC4)CC3)CC[NH2+]CC2)cc1 ZINC001246415414 1037371584 /nfs/dbraw/zinc/37/15/84/1037371584.db2.gz PBRXGZTXMCZEGF-UHFFFAOYSA-N 2 1 375.988 3.716 20 0 GHADMP CCN1CCC([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246433838 1037396331 /nfs/dbraw/zinc/39/63/31/1037396331.db2.gz NFCCBXMXMGPBGP-UHFFFAOYSA-N 2 1 383.502 3.692 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CCOCC3)c(F)c2)CC[NH2+]1 ZINC001246440212 1037402711 /nfs/dbraw/zinc/40/27/11/1037402711.db2.gz GSYHJITZAKSZBM-RXVVDRJESA-N 2 1 378.532 3.887 20 0 GHADMP CC[C@H]1C[C@@H]([NH2+][C@H](C(=O)Nc2cc3ccccc3c(OC)c2)C(C)C)CC[NH2+]1 ZINC001246478753 1037426356 /nfs/dbraw/zinc/42/63/56/1037426356.db2.gz AYBUFNHECOHMOG-SPEDKVCISA-N 2 1 383.536 3.932 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC[NH2+]1 ZINC001246494420 1037439052 /nfs/dbraw/zinc/43/90/52/1037439052.db2.gz YTQVMUSHKLKCRU-AABGKKOBSA-N 2 1 391.625 3.700 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001246496274 1037441218 /nfs/dbraw/zinc/44/12/18/1037441218.db2.gz CEWZNMGBOBMFQE-UUKMXZOPSA-N 2 1 376.541 3.806 20 0 GHADMP CC[C@@H]1CC(NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCOC)C[C@@H](CC)[NH2+]1 ZINC001246512299 1037449659 /nfs/dbraw/zinc/44/96/59/1037449659.db2.gz FBWXCJCCDBFZQX-SBHAEUEKSA-N 2 1 381.992 3.858 20 0 GHADMP CC[C@@H]1CC(NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)C[C@@H](CC)[NH2+]1 ZINC001246512299 1037449667 /nfs/dbraw/zinc/44/96/67/1037449667.db2.gz FBWXCJCCDBFZQX-SBHAEUEKSA-N 2 1 381.992 3.858 20 0 GHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246533428 1037467273 /nfs/dbraw/zinc/46/72/73/1037467273.db2.gz CRCRYUCBAGSEJC-OALUTQOASA-N 2 1 377.454 3.938 20 0 GHADMP O=C1CC[C@@H]([N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC001246602765 1037500249 /nfs/dbraw/zinc/50/02/49/1037500249.db2.gz JIWAPJFARPOJLU-VWNXMTODSA-N 2 1 383.580 3.814 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001246635540 1037520936 /nfs/dbraw/zinc/52/09/36/1037520936.db2.gz CKIUZDDRKVWJAY-BBRMVZONSA-N 2 1 378.385 3.837 20 0 GHADMP O=C1C[C@H]([N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)CCN1 ZINC001246651967 1037526100 /nfs/dbraw/zinc/52/61/00/1037526100.db2.gz NBWKKIFIGPYLOS-JOCHJYFZSA-N 2 1 383.580 3.814 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246670500 1037537206 /nfs/dbraw/zinc/53/72/06/1037537206.db2.gz DRHUTYTYGPQNAV-HXKBJWFLSA-N 2 1 396.575 3.968 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)C2)cc1 ZINC001246673588 1037538875 /nfs/dbraw/zinc/53/88/75/1037538875.db2.gz PTDQJNNBYICDJX-DSNGMDLFSA-N 2 1 375.560 3.514 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@H]5C[C@@H](C4)[NH2+]5)C[C@@H]23)cc1 ZINC001246674890 1037540131 /nfs/dbraw/zinc/54/01/31/1037540131.db2.gz CFQPCJVKIILLAS-NQUGZWMISA-N 2 1 387.571 3.798 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)C2 ZINC001246684979 1037548705 /nfs/dbraw/zinc/54/87/05/1037548705.db2.gz ZFNSIFVJVSPFLA-BHDDXSALSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)C2 ZINC001246684979 1037548715 /nfs/dbraw/zinc/54/87/15/1037548715.db2.gz ZFNSIFVJVSPFLA-BHDDXSALSA-N 2 1 397.360 3.995 20 0 GHADMP C(O[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2C1CCC2(CC[NH2+]CC2)CC1)C1CCCC1 ZINC001246697045 1037552464 /nfs/dbraw/zinc/55/24/64/1037552464.db2.gz SQXYKPSONPNBLM-BHDDXSALSA-N 2 1 376.585 3.737 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@H+]([C@@H]1CC[NH2+]C(C)(C)C1)CC2 ZINC001246694776 1037552690 /nfs/dbraw/zinc/55/26/90/1037552690.db2.gz ACYMYKLVFWWQNJ-QGZVFWFLSA-N 2 1 399.560 3.528 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+]([C@H]2CCC[C@@]4(CC[NH2+]C4)C2)CC3)c1 ZINC001246696654 1037553041 /nfs/dbraw/zinc/55/30/41/1037553041.db2.gz RYBVHIABZSPMTM-WMZHIEFXSA-N 2 1 380.511 3.606 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246702889 1037556402 /nfs/dbraw/zinc/55/64/02/1037556402.db2.gz UHTQWNUYMYODML-ZWKOTPCHSA-N 2 1 380.374 3.738 20 0 GHADMP CCCC[C@H]1C[C@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246705646 1037559123 /nfs/dbraw/zinc/55/91/23/1037559123.db2.gz ZLZPPPASYLRAJY-PKOBYXMFSA-N 2 1 380.374 3.882 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246707535 1037561869 /nfs/dbraw/zinc/56/18/69/1037561869.db2.gz BHLYSBJAWULHOE-RRPPUSTOSA-N 2 1 387.568 3.641 20 0 GHADMP c1ccc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)cc1 ZINC001246714066 1037565595 /nfs/dbraw/zinc/56/55/95/1037565595.db2.gz IOPAUVQSWUPNPY-VWNXMTODSA-N 2 1 383.580 3.813 20 0 GHADMP c1ccc(N2CCC[C@]3(C2)C[N@@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)cc1 ZINC001246714066 1037565618 /nfs/dbraw/zinc/56/56/18/1037565618.db2.gz IOPAUVQSWUPNPY-VWNXMTODSA-N 2 1 383.580 3.813 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246730599 1037579846 /nfs/dbraw/zinc/57/98/46/1037579846.db2.gz UHEIICUYWYEBBP-NXYDZRKXSA-N 2 1 383.580 3.729 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C[C@@H](CC)[NH2+]1 ZINC001246745115 1037585361 /nfs/dbraw/zinc/58/53/61/1037585361.db2.gz MERDKSDSMOXJSC-KZFRKFNSSA-N 2 1 391.531 3.532 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN([C@@H]4CC[NH2+][C@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747578 1037587357 /nfs/dbraw/zinc/58/73/57/1037587357.db2.gz PFYOABROXJFGIT-PKTZIBPZSA-N 2 1 399.623 3.829 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4CCC[C@]5(CC[NH2+]C5)C4)CC3)C2)cc1 ZINC001246747076 1037588362 /nfs/dbraw/zinc/58/83/62/1037588362.db2.gz NHENMDZMDAXOSZ-ZEQRLZLVSA-N 3 1 397.607 3.584 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+]([C@H]4CCC[C@]5(CC[NH2+]C5)C4)CC3)C2)cc1 ZINC001246747076 1037588379 /nfs/dbraw/zinc/58/83/79/1037588379.db2.gz NHENMDZMDAXOSZ-ZEQRLZLVSA-N 2 1 397.607 3.584 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)CC2=O)s1 ZINC001246753870 1037592848 /nfs/dbraw/zinc/59/28/48/1037592848.db2.gz DIMOTLLZCHGCHA-QFIPXVFZSA-N 2 1 387.593 3.798 20 0 GHADMP CCCC[C@@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761022 1037605108 /nfs/dbraw/zinc/60/51/08/1037605108.db2.gz YFRDEZQZQFLLMG-DHIUTWEWSA-N 2 1 385.596 3.664 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246761369 1037605295 /nfs/dbraw/zinc/60/52/95/1037605295.db2.gz BBPZNLMQQFXPIQ-MPHOGZCYSA-N 2 1 391.506 3.560 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770400 1037613057 /nfs/dbraw/zinc/61/30/57/1037613057.db2.gz YKDGFJSWAPPJFR-NKKJXINNSA-N 2 1 396.623 3.926 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770400 1037613084 /nfs/dbraw/zinc/61/30/84/1037613084.db2.gz YKDGFJSWAPPJFR-NKKJXINNSA-N 3 1 396.623 3.926 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770400 1037613092 /nfs/dbraw/zinc/61/30/92/1037613092.db2.gz YKDGFJSWAPPJFR-NKKJXINNSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770400 1037613109 /nfs/dbraw/zinc/61/31/09/1037613109.db2.gz YKDGFJSWAPPJFR-NKKJXINNSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@@H]21 ZINC001246770400 1037613128 /nfs/dbraw/zinc/61/31/28/1037613128.db2.gz YKDGFJSWAPPJFR-NKKJXINNSA-N 3 1 396.623 3.926 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)C1=O ZINC001246780580 1037620319 /nfs/dbraw/zinc/62/03/19/1037620319.db2.gz VKFPZLHHCTWYBR-FOVJLYNBSA-N 2 1 381.564 3.555 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246780743 1037621783 /nfs/dbraw/zinc/62/17/83/1037621783.db2.gz DFDZUNXLMZELKC-XUZZJYLKSA-N 2 1 397.538 3.754 20 0 GHADMP Clc1cncc(Cl)c1N1CC[NH+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246819319 1037651971 /nfs/dbraw/zinc/65/19/71/1037651971.db2.gz CPKSDFMFGBCMNC-UHFFFAOYSA-N 2 1 383.367 3.823 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246827020 1037660337 /nfs/dbraw/zinc/66/03/37/1037660337.db2.gz YJCRBTLILGMEOG-NRFANRHFSA-N 2 1 383.580 3.640 20 0 GHADMP c1ccc(C(OCC[N@H+]2CCCN([C@H]3CCC[NH2+]C3)CC2)c2ccccc2)cc1 ZINC001246831418 1037662617 /nfs/dbraw/zinc/66/26/17/1037662617.db2.gz DLCSVRKMDJFOID-DEOSSOPVSA-N 2 1 393.575 3.552 20 0 GHADMP c1ccc(C(OCC[N@H+]2CCCN(C3CC[NH2+]CC3)CC2)c2ccccc2)cc1 ZINC001246837495 1037666170 /nfs/dbraw/zinc/66/61/70/1037666170.db2.gz OCEQCZUSHKHRIJ-UHFFFAOYSA-N 2 1 393.575 3.552 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C[C@H](CC)[NH2+]1 ZINC001246839591 1037668550 /nfs/dbraw/zinc/66/85/50/1037668550.db2.gz YICPCFRLSYOTFT-PVIWCNJMSA-N 2 1 385.552 3.781 20 0 GHADMP c1ccc(CN2CC[C@@H]([N@@H+](Cc3ccccc3)[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246844312 1037671339 /nfs/dbraw/zinc/67/13/39/1037671339.db2.gz YSNOXRAOXRNCCQ-ZFFYZDHPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(CN2CC[C@@H]([N@@H+](Cc3ccccc3)[C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246844310 1037671373 /nfs/dbraw/zinc/67/13/73/1037671373.db2.gz YSNOXRAOXRNCCQ-RCTAOEEJSA-N 2 1 375.560 3.761 20 0 GHADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246851018 1037677064 /nfs/dbraw/zinc/67/70/64/1037677064.db2.gz AGWVQGNLUCNEBH-MQSCRBSSSA-N 2 1 382.548 3.802 20 0 GHADMP Nc1ccc(Br)c2c1C[N@H+](C1CCC3(CC[NH2+]CC3)CC1)CC2 ZINC001246870777 1037685793 /nfs/dbraw/zinc/68/57/93/1037685793.db2.gz ZTZSQLMGZYMMAO-UHFFFAOYSA-N 2 1 378.358 3.702 20 0 GHADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246893260 1037707942 /nfs/dbraw/zinc/70/79/42/1037707942.db2.gz VIVXFFONSWMKOM-PMOQBDJRSA-N 2 1 380.532 3.804 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246893946 1037708197 /nfs/dbraw/zinc/70/81/97/1037708197.db2.gz YGYQNSHBVSWDPL-FCHUYYIVSA-N 2 1 385.596 3.904 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCN([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001246894748 1037711540 /nfs/dbraw/zinc/71/15/40/1037711540.db2.gz PWXBHMMQSDDYTQ-CXSMSNRLSA-N 2 1 375.560 3.934 20 0 GHADMP CC1(C)[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246922996 1037729217 /nfs/dbraw/zinc/72/92/17/1037729217.db2.gz AJMJBSVKHLOGHN-FPGHNAPASA-N 2 1 376.500 3.821 20 0 GHADMP CC1(C)[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246922996 1037729236 /nfs/dbraw/zinc/72/92/36/1037729236.db2.gz AJMJBSVKHLOGHN-FPGHNAPASA-N 2 1 376.500 3.821 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H](N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246925058 1037730613 /nfs/dbraw/zinc/73/06/13/1037730613.db2.gz LHJSINMYSYMCMY-MJGOQNOKSA-N 2 1 399.501 3.870 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc(OC)c1OC ZINC001246937820 1037743118 /nfs/dbraw/zinc/74/31/18/1037743118.db2.gz MVXWKFWDOAXAMK-MSOLQXFVSA-N 2 1 390.568 3.888 20 0 GHADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC2 ZINC001246941403 1037748302 /nfs/dbraw/zinc/74/83/02/1037748302.db2.gz KHKYLSOKWACTOS-ZLNRFVROSA-N 2 1 384.564 3.795 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)C1 ZINC001246944539 1037751373 /nfs/dbraw/zinc/75/13/73/1037751373.db2.gz VDGPUYOYOPEDRM-FPOVZHCZSA-N 2 1 376.516 3.749 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](N(Cc3cccnc3)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246954353 1037761050 /nfs/dbraw/zinc/76/10/50/1037761050.db2.gz YLNJRCAYYOXMFS-ZEQRLZLVSA-N 2 1 378.564 3.690 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246954747 1037763243 /nfs/dbraw/zinc/76/32/43/1037763243.db2.gz PKCAUSPPELXJGI-FQEVSTJZSA-N 2 1 396.531 3.999 20 0 GHADMP Fc1cc(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(C[NH2+]C3)CC2)ccc1C(F)(F)F ZINC001246960329 1037779923 /nfs/dbraw/zinc/77/99/23/1037779923.db2.gz HEDRFLIUQBIFIG-UHFFFAOYSA-N 3 1 399.476 3.931 20 0 GHADMP COC(=O)CC[C@@H](C)[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246960300 1037780700 /nfs/dbraw/zinc/78/07/00/1037780700.db2.gz GVDMHUFIZFZXJJ-CYBMUJFWSA-N 2 1 390.421 3.740 20 0 GHADMP COC(=O)CC[C@@H](C)[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246960300 1037780715 /nfs/dbraw/zinc/78/07/15/1037780715.db2.gz GVDMHUFIZFZXJJ-CYBMUJFWSA-N 2 1 390.421 3.740 20 0 GHADMP CCCCOC(=O)CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC001246969653 1037793599 /nfs/dbraw/zinc/79/35/99/1037793599.db2.gz ZTKBQGPMAVQOPV-SFHVURJKSA-N 2 1 376.541 3.761 20 0 GHADMP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246972610 1037797221 /nfs/dbraw/zinc/79/72/21/1037797221.db2.gz DADNHRAAZBEYJR-QHCPKHFHSA-N 2 1 385.596 3.522 20 0 GHADMP Fc1ccc(C[C@@H]2CC[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)CC2(F)F)cc1 ZINC001246987173 1037811235 /nfs/dbraw/zinc/81/12/35/1037811235.db2.gz MINBDSDADZAMJJ-KKXNLOMOSA-N 2 1 382.470 3.627 20 0 GHADMP Fc1ccc(C[C@@H]2CC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)CC2(F)F)cc1 ZINC001246987173 1037811255 /nfs/dbraw/zinc/81/12/55/1037811255.db2.gz MINBDSDADZAMJJ-KKXNLOMOSA-N 2 1 382.470 3.627 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246998211 1037819616 /nfs/dbraw/zinc/81/96/16/1037819616.db2.gz XWBUFZGDHHDMBS-DNVJHFABSA-N 2 1 378.516 3.935 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246998211 1037819635 /nfs/dbraw/zinc/81/96/35/1037819635.db2.gz XWBUFZGDHHDMBS-DNVJHFABSA-N 2 1 378.516 3.935 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+]([C@H](C)CC(C)(C)SCc2ccco2)CCC12C[NH2+]C2 ZINC001247010889 1037834781 /nfs/dbraw/zinc/83/47/81/1037834781.db2.gz WLAYOTGGYBYKOZ-SJLPKXTDSA-N 2 1 394.581 3.545 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001247010542 1037835684 /nfs/dbraw/zinc/83/56/84/1037835684.db2.gz PXENRKMRCQQUHH-GOSISDBHSA-N 2 1 378.516 3.889 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001247010542 1037835706 /nfs/dbraw/zinc/83/57/06/1037835706.db2.gz PXENRKMRCQQUHH-GOSISDBHSA-N 2 1 378.516 3.889 20 0 GHADMP Cc1cccc(F)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001232484111 1038261601 /nfs/dbraw/zinc/26/16/01/1038261601.db2.gz YDBOMORLIQDHEZ-FQEVSTJZSA-N 2 1 383.511 3.785 20 0 GHADMP C[C@]1(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CCC[NH2+]CC1 ZINC001247736064 1038354595 /nfs/dbraw/zinc/35/45/95/1038354595.db2.gz PQBBOIGZLPMWII-NQIIRXRSSA-N 2 1 381.455 3.639 20 0 GHADMP Fc1nccc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001232613467 1038401372 /nfs/dbraw/zinc/40/13/72/1038401372.db2.gz VDTCNZUUVMGKGL-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP Clc1ccnc2cccc(-c3noc([C@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)c12 ZINC001247906131 1038478211 /nfs/dbraw/zinc/47/82/11/1038478211.db2.gz VEWFSIAYOSOSKB-AWEZNQCLSA-N 2 1 397.910 3.870 20 0 GHADMP Clc1ccnc2ccc(-c3noc(C4CC[NH+](C5CC[NH2+]CC5)CC4)n3)cc12 ZINC001247909781 1038485782 /nfs/dbraw/zinc/48/57/82/1038485782.db2.gz QZUDABKQRHMCFC-UHFFFAOYSA-N 2 1 397.910 3.870 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001232689502 1038491670 /nfs/dbraw/zinc/49/16/70/1038491670.db2.gz NSYGSQUJJBGJBX-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP COC(=O)c1cccc2c(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)c[nH]c21 ZINC001232710143 1038509696 /nfs/dbraw/zinc/50/96/96/1038509696.db2.gz NAPJDEQQXNOOGI-IAGOWNOFSA-N 2 1 395.528 3.580 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900774 1038698745 /nfs/dbraw/zinc/69/87/45/1038698745.db2.gz QKMXPWOWVJPZQN-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900774 1038698750 /nfs/dbraw/zinc/69/87/50/1038698750.db2.gz QKMXPWOWVJPZQN-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900774 1038698755 /nfs/dbraw/zinc/69/87/55/1038698755.db2.gz QKMXPWOWVJPZQN-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900774 1038698759 /nfs/dbraw/zinc/69/87/59/1038698759.db2.gz QKMXPWOWVJPZQN-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cncc(-c3ccccc3)c1)C2 ZINC001232900774 1038698763 /nfs/dbraw/zinc/69/87/63/1038698763.db2.gz QKMXPWOWVJPZQN-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccsc3Cl)O2)CC1 ZINC001233056308 1038820666 /nfs/dbraw/zinc/82/06/66/1038820666.db2.gz FMAVQTJUIPBTCL-GUDVDZBRSA-N 2 1 399.000 3.882 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccsc3Cl)O2)CC1 ZINC001233056308 1038820696 /nfs/dbraw/zinc/82/06/96/1038820696.db2.gz FMAVQTJUIPBTCL-GUDVDZBRSA-N 2 1 399.000 3.882 20 0 GHADMP Cc1cccc(-c2ccc(C[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc2)c1 ZINC001233224779 1038985061 /nfs/dbraw/zinc/98/50/61/1038985061.db2.gz FTWXSQCRRLWHDR-UHFFFAOYSA-N 2 1 391.559 3.648 20 0 GHADMP Clc1ccc2c(c1)nccc2N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC001233239307 1038997656 /nfs/dbraw/zinc/99/76/56/1038997656.db2.gz QWFXZBRYTKGILG-UHFFFAOYSA-N 2 1 377.879 3.858 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3n[nH]c4ccc(Br)cc43)CC2)C1 ZINC001278683017 1039179877 /nfs/dbraw/zinc/17/98/77/1039179877.db2.gz PUXIJBPUJHOUDH-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3n[nH]c4ccc(Br)cc43)CC2)C1 ZINC001278683017 1039179882 /nfs/dbraw/zinc/17/98/82/1039179882.db2.gz PUXIJBPUJHOUDH-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3[nH]nc4ccc(Br)cc43)CC2)C1 ZINC001278683017 1039179891 /nfs/dbraw/zinc/17/98/91/1039179891.db2.gz PUXIJBPUJHOUDH-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3[nH]nc4ccc(Br)cc43)CC2)C1 ZINC001278683017 1039179903 /nfs/dbraw/zinc/17/99/03/1039179903.db2.gz PUXIJBPUJHOUDH-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP O[C@@]1(C[NH2+]CCc2ccc(Cl)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252943156 1039288008 /nfs/dbraw/zinc/28/80/08/1039288008.db2.gz FUSOVDVOLAUJPX-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCc2ccc(Cl)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943156 1039288023 /nfs/dbraw/zinc/28/80/23/1039288023.db2.gz FUSOVDVOLAUJPX-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]Cc2cccc(OCC3CCC3)c2)CCN(Cc2ccccc2)C1 ZINC001252949749 1039293470 /nfs/dbraw/zinc/29/34/70/1039293470.db2.gz SUPAHMNGLQKMSO-XMMPIXPASA-N 2 1 380.532 3.592 20 0 GHADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001253185418 1039466535 /nfs/dbraw/zinc/46/65/35/1039466535.db2.gz QYOIADARRWWTLI-QHCPKHFHSA-N 2 1 393.575 3.731 20 0 GHADMP CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001253480681 1039662182 /nfs/dbraw/zinc/66/21/82/1039662182.db2.gz NTOYHQUPMXKYHI-WXFUMESZSA-N 2 1 396.575 3.810 20 0 GHADMP Cc1ccc(CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c(N2CCCC2)[nH+]1 ZINC001233952252 1039725753 /nfs/dbraw/zinc/72/57/53/1039725753.db2.gz JSRNYJQKABXUEF-UHFFFAOYSA-N 2 1 399.583 3.587 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253999564 1039943715 /nfs/dbraw/zinc/94/37/15/1039943715.db2.gz GUBMASBYMYKZSI-NHCUHLMSSA-N 2 1 390.568 3.554 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253999564 1039943719 /nfs/dbraw/zinc/94/37/19/1039943719.db2.gz GUBMASBYMYKZSI-NHCUHLMSSA-N 2 1 390.568 3.554 20 0 GHADMP C[N@@H+](Cc1ncccc1C(F)(F)F)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254036958 1039967281 /nfs/dbraw/zinc/96/72/81/1039967281.db2.gz RFFWMYIUIODMSO-UHFFFAOYSA-N 2 1 393.453 3.559 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cc3C)CC2)C1 ZINC001278769335 1040086879 /nfs/dbraw/zinc/08/68/79/1040086879.db2.gz MVWNEEZYQLNRKJ-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)cc3C)CC2)C1 ZINC001278769335 1040086899 /nfs/dbraw/zinc/08/68/99/1040086899.db2.gz MVWNEEZYQLNRKJ-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C1CCC3(CC3)CC1)CC2 ZINC001254443128 1040235680 /nfs/dbraw/zinc/23/56/80/1040235680.db2.gz SLEGFUGTVVNSRE-QFIPXVFZSA-N 2 1 390.612 3.939 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235006892 1040496834 /nfs/dbraw/zinc/49/68/34/1040496834.db2.gz IRSOEMVHPNQIKC-DEOSSOPVSA-N 2 1 379.548 3.965 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235006892 1040496841 /nfs/dbraw/zinc/49/68/41/1040496841.db2.gz IRSOEMVHPNQIKC-DEOSSOPVSA-N 2 1 379.548 3.965 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023275 1040515835 /nfs/dbraw/zinc/51/58/35/1040515835.db2.gz UHGORHDPWXHXLX-XMMPIXPASA-N 2 1 379.548 3.965 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254754827 1040515659 /nfs/dbraw/zinc/51/56/59/1040515659.db2.gz NWIDBMZIBVFMDM-ZCNNSNEGSA-N 2 1 391.600 3.830 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254754827 1040515669 /nfs/dbraw/zinc/51/56/69/1040515669.db2.gz NWIDBMZIBVFMDM-ZCNNSNEGSA-N 2 1 391.600 3.830 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235023275 1040515855 /nfs/dbraw/zinc/51/58/55/1040515855.db2.gz UHGORHDPWXHXLX-XMMPIXPASA-N 2 1 379.548 3.965 20 0 GHADMP Cn1c2ccccc2c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1-c1ccccc1 ZINC001235035608 1040528992 /nfs/dbraw/zinc/52/89/92/1040528992.db2.gz GGSFESWTUOEVGP-AUSIDOKSSA-N 2 1 375.516 3.656 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001235038133 1040531888 /nfs/dbraw/zinc/53/18/88/1040531888.db2.gz UDZZQFJMWRPSKM-YLJYHZDGSA-N 2 1 391.437 3.578 20 0 GHADMP C[N@H+](Cc1cccc(N2CCOCC2)c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001235081516 1040567420 /nfs/dbraw/zinc/56/74/20/1040567420.db2.gz DTOIEJQCNZFSGB-UHFFFAOYSA-N 2 1 393.575 3.867 20 0 GHADMP FC(F)C(F)(F)Oc1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001235096114 1040587963 /nfs/dbraw/zinc/58/79/63/1040587963.db2.gz YSHMGYRUKJYUJM-OAHLLOKOSA-N 2 1 382.348 3.744 20 0 GHADMP FC(F)C(F)(F)Oc1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001235096114 1040587975 /nfs/dbraw/zinc/58/79/75/1040587975.db2.gz YSHMGYRUKJYUJM-OAHLLOKOSA-N 2 1 382.348 3.744 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001254869307 1040613253 /nfs/dbraw/zinc/61/32/53/1040613253.db2.gz BCAXYPPNPSFYOW-FLPIEVNYSA-N 2 1 379.589 3.878 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1 ZINC001254887733 1040639004 /nfs/dbraw/zinc/63/90/04/1040639004.db2.gz TWWLACRYNQAMCX-KJFMYELZSA-N 2 1 379.589 3.590 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235158055 1040651288 /nfs/dbraw/zinc/65/12/88/1040651288.db2.gz TZYGZKDBXDBUSN-SFHVURJKSA-N 2 1 395.341 3.590 20 0 GHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001235217204 1040698054 /nfs/dbraw/zinc/69/80/54/1040698054.db2.gz TTXYQTBHVIOFNU-JOCHJYFZSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972630 1040700702 /nfs/dbraw/zinc/70/07/02/1040700702.db2.gz VHPHWYUQQSQNBU-VMXMFDLUSA-N 2 1 387.568 3.871 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC001235271918 1040749364 /nfs/dbraw/zinc/74/93/64/1040749364.db2.gz PMXAWJADXJWVCX-MAUKXSAKSA-N 2 1 377.410 3.831 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC001235271918 1040749386 /nfs/dbraw/zinc/74/93/86/1040749386.db2.gz PMXAWJADXJWVCX-MAUKXSAKSA-N 2 1 377.410 3.831 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc(Cl)c1C)C2 ZINC001235326315 1040796096 /nfs/dbraw/zinc/79/60/96/1040796096.db2.gz UOTPWNDBHPMXNV-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP CCCCCCc1csc(C[N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)c1 ZINC001235336426 1040806984 /nfs/dbraw/zinc/80/69/84/1040806984.db2.gz XWIRFRJQRLKSIU-KHHDVDEJSA-N 2 1 390.593 3.701 20 0 GHADMP CC(C)(C)C(=O)CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255131460 1040829087 /nfs/dbraw/zinc/82/90/87/1040829087.db2.gz NRNARYKOVPDNQG-NUNAXRQHSA-N 2 1 397.607 3.851 20 0 GHADMP Fc1ccc(N2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)CC2)nc1 ZINC001255137383 1040839614 /nfs/dbraw/zinc/83/96/14/1040839614.db2.gz QLIYPLQXTGXVMP-JKHIJQBDSA-N 2 1 394.538 3.928 20 0 GHADMP Fc1ccc(N2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc1 ZINC001255137383 1040839625 /nfs/dbraw/zinc/83/96/25/1040839625.db2.gz QLIYPLQXTGXVMP-JKHIJQBDSA-N 2 1 394.538 3.928 20 0 GHADMP Fc1ccc(N2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255137383 1040839635 /nfs/dbraw/zinc/83/96/35/1040839635.db2.gz QLIYPLQXTGXVMP-JKHIJQBDSA-N 2 1 394.538 3.928 20 0 GHADMP CN(C)C(=O)c1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255136802 1040841024 /nfs/dbraw/zinc/84/10/24/1040841024.db2.gz SFFJOLPHGYNOIL-BKFWDETESA-N 2 1 391.559 3.716 20 0 GHADMP CC[C@H]1[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138761 1040842160 /nfs/dbraw/zinc/84/21/60/1040842160.db2.gz GJYJHORVWBYQSU-WGNYYXNJSA-N 2 1 381.564 3.705 20 0 GHADMP CC[C@H]1[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138761 1040842173 /nfs/dbraw/zinc/84/21/73/1040842173.db2.gz GJYJHORVWBYQSU-WGNYYXNJSA-N 2 1 381.564 3.705 20 0 GHADMP CC[C@H]1[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138761 1040842186 /nfs/dbraw/zinc/84/21/86/1040842186.db2.gz GJYJHORVWBYQSU-WGNYYXNJSA-N 2 1 381.564 3.705 20 0 GHADMP c1ccc(C2(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CCOCC2)cc1 ZINC001235364085 1040851827 /nfs/dbraw/zinc/85/18/27/1040851827.db2.gz KUTKANWNSLRLPS-AOYPEHQESA-N 2 1 390.571 3.988 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)ccc21 ZINC001235365989 1040859102 /nfs/dbraw/zinc/85/91/02/1040859102.db2.gz CMIBLJBCCZQHNM-KHCICDEESA-N 2 1 375.516 3.767 20 0 GHADMP Clc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)ccc1OCc1ccccc1 ZINC001235367410 1040861784 /nfs/dbraw/zinc/86/17/84/1040861784.db2.gz INJDKUJACPZWJL-MIZPHKNDSA-N 2 1 398.934 3.872 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235366813 1040863244 /nfs/dbraw/zinc/86/32/44/1040863244.db2.gz RTXUWQNDLQTCJA-NZQKXSOJSA-N 2 1 387.568 3.545 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235369195 1040868959 /nfs/dbraw/zinc/86/89/59/1040868959.db2.gz XPFGEEXIEQOLIU-XUZZJYLKSA-N 2 1 380.532 3.847 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235369195 1040868973 /nfs/dbraw/zinc/86/89/73/1040868973.db2.gz XPFGEEXIEQOLIU-XUZZJYLKSA-N 2 1 380.532 3.847 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N(c2ccccn2)C2CC[NH2+]CC2)C3)cc1 ZINC001255151313 1040874550 /nfs/dbraw/zinc/87/45/50/1040874550.db2.gz WPRJBLSWEDDYBB-JKHIJQBDSA-N 2 1 376.548 3.836 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C2)CC1 ZINC001235389372 1040906406 /nfs/dbraw/zinc/90/64/06/1040906406.db2.gz KXWXYEAWYXSXJY-UHFFFAOYSA-N 2 1 385.552 3.855 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255221207 1040912640 /nfs/dbraw/zinc/91/26/40/1040912640.db2.gz WJQDQVGRPCPDHW-YCKXBTPASA-N 2 1 379.589 3.875 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OCCCOC ZINC001235431043 1040930828 /nfs/dbraw/zinc/93/08/28/1040930828.db2.gz UDHLHPOBJUEXPD-RTWAWAEBSA-N 2 1 390.568 3.712 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)cc(OCc2ccccc2)c1OC ZINC001235431912 1040933557 /nfs/dbraw/zinc/93/35/57/1040933557.db2.gz DXLUQEMNRUGZLU-UHFFFAOYSA-N 2 1 384.520 3.714 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255350042 1040955809 /nfs/dbraw/zinc/95/58/09/1040955809.db2.gz QIDIQFKFRSRYSS-VMXMFDLUSA-N 2 1 388.552 3.889 20 0 GHADMP COc1cc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccc1OC1COC1 ZINC001255386178 1040974395 /nfs/dbraw/zinc/97/43/95/1040974395.db2.gz KWUNDJJJSDADFI-NRFANRHFSA-N 2 1 396.531 3.617 20 0 GHADMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001235532622 1040977210 /nfs/dbraw/zinc/97/72/10/1040977210.db2.gz BNMNLJVNWXBMPU-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001235532622 1040977211 /nfs/dbraw/zinc/97/72/11/1040977211.db2.gz BNMNLJVNWXBMPU-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001235532622 1040977223 /nfs/dbraw/zinc/97/72/23/1040977223.db2.gz BNMNLJVNWXBMPU-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391675 1040980888 /nfs/dbraw/zinc/98/08/88/1040980888.db2.gz BFVCYFLWTYFOKF-GMAHTHKFSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391675 1040980903 /nfs/dbraw/zinc/98/09/03/1040980903.db2.gz BFVCYFLWTYFOKF-GMAHTHKFSA-N 2 1 396.531 3.944 20 0 GHADMP O=C1NCCCN1c1cccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255393688 1040981529 /nfs/dbraw/zinc/98/15/29/1040981529.db2.gz UBSNPSNNIOAXQB-QFIPXVFZSA-N 2 1 392.547 3.751 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@H+](C[C@@H]1CCCC[NH2+]1)C[C@H]2c1ccccc1 ZINC001235547482 1040982646 /nfs/dbraw/zinc/98/26/46/1040982646.db2.gz VVEPIEPDOLUXDV-IEIRFRATSA-N 2 1 395.572 3.713 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@@H+](C[C@@H]1CCCC[NH2+]1)C[C@H]2c1ccccc1 ZINC001235547482 1040982647 /nfs/dbraw/zinc/98/26/47/1040982647.db2.gz VVEPIEPDOLUXDV-IEIRFRATSA-N 2 1 395.572 3.713 20 0 GHADMP C[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001255407798 1040995293 /nfs/dbraw/zinc/99/52/93/1040995293.db2.gz DOEGXYZVEIWZEQ-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001255407798 1040995297 /nfs/dbraw/zinc/99/52/97/1040995297.db2.gz DOEGXYZVEIWZEQ-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001255407798 1040995299 /nfs/dbraw/zinc/99/52/99/1040995299.db2.gz DOEGXYZVEIWZEQ-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409047 1040995663 /nfs/dbraw/zinc/99/56/63/1040995663.db2.gz FHMSVPUIHWHBJS-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409047 1040995664 /nfs/dbraw/zinc/99/56/64/1040995664.db2.gz FHMSVPUIHWHBJS-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409047 1040995665 /nfs/dbraw/zinc/99/56/65/1040995665.db2.gz FHMSVPUIHWHBJS-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255409665 1040997693 /nfs/dbraw/zinc/99/76/93/1040997693.db2.gz KMZAXPDLQWLNEK-OAQYLSRUSA-N 2 1 394.563 3.703 20 0 GHADMP C[N@H+]1CC[C@H](N2CCC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC001255437755 1041038310 /nfs/dbraw/zinc/03/83/10/1041038310.db2.gz GCVOPLMLLJHVRK-DEOSSOPVSA-N 2 1 393.575 3.504 20 0 GHADMP C[NH+]1CC[C@H](N2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC001255437755 1041038332 /nfs/dbraw/zinc/03/83/32/1041038332.db2.gz GCVOPLMLLJHVRK-DEOSSOPVSA-N 2 1 393.575 3.504 20 0 GHADMP C[NH+]1CC[C@H](N2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)CC2)C1 ZINC001255437755 1041038364 /nfs/dbraw/zinc/03/83/64/1041038364.db2.gz GCVOPLMLLJHVRK-DEOSSOPVSA-N 2 1 393.575 3.504 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)CCO1 ZINC001255542478 1041120050 /nfs/dbraw/zinc/12/00/50/1041120050.db2.gz HMPNLNSSFXYCRK-UYAOXDASSA-N 2 1 379.495 3.572 20 0 GHADMP CC1(C)C[C@H](N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542478 1041120067 /nfs/dbraw/zinc/12/00/67/1041120067.db2.gz HMPNLNSSFXYCRK-UYAOXDASSA-N 2 1 379.495 3.572 20 0 GHADMP CC1(C)C[C@H](N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542478 1041120073 /nfs/dbraw/zinc/12/00/73/1041120073.db2.gz HMPNLNSSFXYCRK-UYAOXDASSA-N 2 1 379.495 3.572 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001235688065 1041157292 /nfs/dbraw/zinc/15/72/92/1041157292.db2.gz MHVZPVMJIXQNKK-SFHVURJKSA-N 2 1 375.513 3.711 20 0 GHADMP CN(Cc1ccnn1-c1cc[nH+]cc1)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001462522232 1070325710 /nfs/dbraw/zinc/32/57/10/1070325710.db2.gz AZTWCBMAJREHOZ-JOCHJYFZSA-N 2 1 375.520 3.754 20 0 GHADMP COc1ccc(Br)c(F)c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703110 1041182520 /nfs/dbraw/zinc/18/25/20/1041182520.db2.gz RNKVSZHUJUUFTD-UHFFFAOYSA-N 2 1 385.321 3.808 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H](C)CC(F)(F)F)CC2 ZINC001255650887 1041191904 /nfs/dbraw/zinc/19/19/04/1041191904.db2.gz JLLNEWWKZOCYFN-WMZOPIPTSA-N 2 1 385.474 3.725 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001255678138 1041211171 /nfs/dbraw/zinc/21/11/71/1041211171.db2.gz AUVOQPYIWOTNQB-BQTZMPSMSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001255678138 1041211184 /nfs/dbraw/zinc/21/11/84/1041211184.db2.gz AUVOQPYIWOTNQB-BQTZMPSMSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001255678138 1041211195 /nfs/dbraw/zinc/21/11/95/1041211195.db2.gz AUVOQPYIWOTNQB-BQTZMPSMSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716569 1041244955 /nfs/dbraw/zinc/24/49/55/1041244955.db2.gz NIWZFAMOUKQAGB-LFDJNIOPSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716569 1041244965 /nfs/dbraw/zinc/24/49/65/1041244965.db2.gz NIWZFAMOUKQAGB-LFDJNIOPSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716569 1041244982 /nfs/dbraw/zinc/24/49/82/1041244982.db2.gz NIWZFAMOUKQAGB-LFDJNIOPSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716569 1041244998 /nfs/dbraw/zinc/24/49/98/1041244998.db2.gz NIWZFAMOUKQAGB-LFDJNIOPSA-N 2 1 399.505 3.572 20 0 GHADMP CC[N@@H+](Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC[NH2+]CC1 ZINC001235764922 1041256896 /nfs/dbraw/zinc/25/68/96/1041256896.db2.gz QVFCHAICZPPNQD-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP FC(F)(F)c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC001235889063 1041415471 /nfs/dbraw/zinc/41/54/71/1041415471.db2.gz VQYOULDUFOVJPH-CQSZACIVSA-N 2 1 392.263 3.827 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952513 1041433846 /nfs/dbraw/zinc/43/38/46/1041433846.db2.gz OFUNIWODIPGVKT-STZQEDGTSA-N 3 1 389.584 3.666 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001255961903 1041442116 /nfs/dbraw/zinc/44/21/16/1041442116.db2.gz YMPCGNKLBRQFSP-NQIIRXRSSA-N 2 1 377.598 3.797 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001255964044 1041444137 /nfs/dbraw/zinc/44/41/37/1041444137.db2.gz WCHDJMPKZOUVMF-BGRXAOQBSA-N 2 1 375.532 3.843 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235938405 1041444464 /nfs/dbraw/zinc/44/44/64/1041444464.db2.gz VBWHUMZKDFNGEH-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001255964045 1041444688 /nfs/dbraw/zinc/44/46/88/1041444688.db2.gz WCHDJMPKZOUVMF-NANJZHHASA-N 2 1 375.532 3.843 20 0 GHADMP c1cnc(Oc2ccc(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)cc2)nc1 ZINC001235973758 1041477948 /nfs/dbraw/zinc/47/79/48/1041477948.db2.gz OYIOMCHHMROXEY-UHFFFAOYSA-N 2 1 386.499 3.906 20 0 GHADMP FC(F)(F)Oc1cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)ccc1Br ZINC001236010205 1041501410 /nfs/dbraw/zinc/50/14/10/1041501410.db2.gz SLRVDOWUUPFRKG-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP Clc1cccc(-c2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)on2)c1 ZINC001236009748 1041502032 /nfs/dbraw/zinc/50/20/32/1041502032.db2.gz GUUHPCIUXHOIMJ-GCJKJVERSA-N 2 1 379.891 3.968 20 0 GHADMP Clc1cccc(-c2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)on2)c1 ZINC001236009748 1041502038 /nfs/dbraw/zinc/50/20/38/1041502038.db2.gz GUUHPCIUXHOIMJ-GCJKJVERSA-N 2 1 379.891 3.968 20 0 GHADMP Clc1ccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2)nn1 ZINC001236011029 1041503020 /nfs/dbraw/zinc/50/30/20/1041503020.db2.gz YRCYZCJNBUMIAQ-OFNKIYASSA-N 2 1 390.918 3.770 20 0 GHADMP FC(F)(F)c1cccc2c1CC[N@H+](Cc1ccccc1N1CC[NH2+]CC1)C2 ZINC001236084693 1041525560 /nfs/dbraw/zinc/52/55/60/1041525560.db2.gz FBRVDOTVZPJSSI-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP FC(F)(F)c1cccc2c1CC[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)C2 ZINC001236084693 1041525568 /nfs/dbraw/zinc/52/55/68/1041525568.db2.gz FBRVDOTVZPJSSI-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP C[NH+]1CCC(N2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)CC1 ZINC001256208591 1041649470 /nfs/dbraw/zinc/64/94/70/1041649470.db2.gz DOWXDYAMXBWYJA-UHFFFAOYSA-N 2 1 375.560 3.878 20 0 GHADMP COc1cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1-n1ccnc1 ZINC001236301149 1041665004 /nfs/dbraw/zinc/66/50/04/1041665004.db2.gz WUFKZHYEKNXDIE-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1-n1ccnc1 ZINC001236301149 1041665007 /nfs/dbraw/zinc/66/50/07/1041665007.db2.gz WUFKZHYEKNXDIE-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP C[C@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304070 1041666195 /nfs/dbraw/zinc/66/61/95/1041666195.db2.gz GYPJJLXMKXISPN-FPOVZHCZSA-N 2 1 391.550 3.855 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304070 1041666199 /nfs/dbraw/zinc/66/61/99/1041666199.db2.gz GYPJJLXMKXISPN-FPOVZHCZSA-N 3 1 391.550 3.855 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304070 1041666203 /nfs/dbraw/zinc/66/62/03/1041666203.db2.gz GYPJJLXMKXISPN-FPOVZHCZSA-N 3 1 391.550 3.855 20 0 GHADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236321344 1041670490 /nfs/dbraw/zinc/67/04/90/1041670490.db2.gz IPGZIIHBCLXFBN-BETUJISGSA-N 2 1 388.147 3.643 20 0 GHADMP Fc1ccccc1CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC001236364863 1041684121 /nfs/dbraw/zinc/68/41/21/1041684121.db2.gz YTAMNNKRBKGENF-JTHBVZDNSA-N 2 1 381.539 3.902 20 0 GHADMP COc1ccc(Cn2cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cn2)cc1 ZINC001236375591 1041687145 /nfs/dbraw/zinc/68/71/45/1041687145.db2.gz LHMJEWZFAKEZTP-HXUWFJFHSA-N 2 1 382.552 3.684 20 0 GHADMP Brc1ccn2c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cnc2c1 ZINC001236377186 1041688553 /nfs/dbraw/zinc/68/85/53/1041688553.db2.gz XSPXHCKVTPWLMJ-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP COc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cc1O ZINC001236376967 1041688835 /nfs/dbraw/zinc/68/88/35/1041688835.db2.gz WVAASRJBFBRJKU-AWEZNQCLSA-N 2 1 397.357 3.908 20 0 GHADMP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cc1O ZINC001236376967 1041688838 /nfs/dbraw/zinc/68/88/38/1041688838.db2.gz WVAASRJBFBRJKU-AWEZNQCLSA-N 2 1 397.357 3.908 20 0 GHADMP Nc1ccc(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cc1F ZINC001236378421 1041689598 /nfs/dbraw/zinc/68/95/98/1041689598.db2.gz PTDGOSGSOVQVMW-UHFFFAOYSA-N 2 1 392.316 3.925 20 0 GHADMP Nc1ccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)cc1F ZINC001236378421 1041689601 /nfs/dbraw/zinc/68/96/01/1041689601.db2.gz PTDGOSGSOVQVMW-UHFFFAOYSA-N 2 1 392.316 3.925 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(F)c1OC ZINC001236384867 1041692540 /nfs/dbraw/zinc/69/25/40/1041692540.db2.gz HGYQNZQJIONMTN-UHFFFAOYSA-N 2 1 390.474 3.984 20 0 GHADMP Fc1cccc(CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236395404 1041698845 /nfs/dbraw/zinc/69/88/45/1041698845.db2.gz RYQNGKBPYUKMTC-ISKFKSNPSA-N 2 1 381.539 3.902 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453592 1041718645 /nfs/dbraw/zinc/71/86/45/1041718645.db2.gz CLLZUEHVKSHHMX-UHFFFAOYSA-N 2 1 386.923 3.810 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236453592 1041718655 /nfs/dbraw/zinc/71/86/55/1041718655.db2.gz CLLZUEHVKSHHMX-UHFFFAOYSA-N 2 1 386.923 3.810 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(F)c3Cl)(C1)CCC2 ZINC001278935832 1041721069 /nfs/dbraw/zinc/72/10/69/1041721069.db2.gz RUNRBCCZTSXBGZ-MOPGFXCFSA-N 2 1 388.886 3.763 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2c(C)cc(O)cc2C)C2CC[NH2+]CC2)c1 ZINC001236465956 1041728427 /nfs/dbraw/zinc/72/84/27/1041728427.db2.gz UWPXWVPTSBKKEF-UHFFFAOYSA-N 2 1 382.504 3.550 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2c(C)cc(O)cc2C)C2CC[NH2+]CC2)c1 ZINC001236465956 1041728433 /nfs/dbraw/zinc/72/84/33/1041728433.db2.gz UWPXWVPTSBKKEF-UHFFFAOYSA-N 2 1 382.504 3.550 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(-n3nccn3)cc2)Cc2ccccc2F)CC1 ZINC001236539930 1041756411 /nfs/dbraw/zinc/75/64/11/1041756411.db2.gz DSQGLFCXIUSCQI-MXVIHJGJSA-N 2 1 379.483 3.679 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1O ZINC001236540632 1041756884 /nfs/dbraw/zinc/75/68/84/1041756884.db2.gz IIIWKCQFZQAEOZ-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1O ZINC001236540632 1041756895 /nfs/dbraw/zinc/75/68/95/1041756895.db2.gz IIIWKCQFZQAEOZ-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2[nH]nc3c2cccc3Br)CC2CC2)CC1 ZINC001236550402 1041758289 /nfs/dbraw/zinc/75/82/89/1041758289.db2.gz IAHPOGIUNBWRHZ-HDJSIYSDSA-N 2 1 377.330 3.807 20 0 GHADMP CC(C)C[N@@H+](Cc1cn2ccc(Br)cc2n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550958 1041758496 /nfs/dbraw/zinc/75/84/96/1041758496.db2.gz FVQORPWYZXJNGJ-JCNLHEQBSA-N 2 1 379.346 3.825 20 0 GHADMP CCOc1cc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236577133 1041767831 /nfs/dbraw/zinc/76/78/31/1041767831.db2.gz UNALJRUOSMJORT-KOMQPUFPSA-N 2 1 382.346 3.867 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001236694361 1041836425 /nfs/dbraw/zinc/83/64/25/1041836425.db2.gz MJIFLJRCXWFPCR-RQNOJGIXSA-N 3 1 392.591 3.711 20 0 GHADMP CN1CCN(c2cccc(C[N@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001236694361 1041836430 /nfs/dbraw/zinc/83/64/30/1041836430.db2.gz MJIFLJRCXWFPCR-RQNOJGIXSA-N 2 1 392.591 3.711 20 0 GHADMP CN1CCN(c2cccc(C[N@@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001236694361 1041836435 /nfs/dbraw/zinc/83/64/35/1041836435.db2.gz MJIFLJRCXWFPCR-RQNOJGIXSA-N 2 1 392.591 3.711 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(O)c1)CC2 ZINC001236702813 1041842135 /nfs/dbraw/zinc/84/21/35/1041842135.db2.gz RGBOCRYWHASQTD-FQEVSTJZSA-N 2 1 384.495 3.787 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236741545 1041868600 /nfs/dbraw/zinc/86/86/00/1041868600.db2.gz ICZBTCRHGJMZBA-HZCBDIJESA-N 2 1 384.495 3.813 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@H]12 ZINC001236822030 1041916745 /nfs/dbraw/zinc/91/67/45/1041916745.db2.gz XVRGVVNNTZHBSA-JCGIZDLHSA-N 2 1 378.358 3.609 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@H]12 ZINC001236822030 1041916749 /nfs/dbraw/zinc/91/67/49/1041916749.db2.gz XVRGVVNNTZHBSA-JCGIZDLHSA-N 2 1 378.358 3.609 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@H](Sc4ccncc4)C3)c2)CC1 ZINC001236897655 1041944727 /nfs/dbraw/zinc/94/47/27/1041944727.db2.gz FPSNQAPFPLDMDU-QFIPXVFZSA-N 2 1 382.577 3.590 20 0 GHADMP COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236960609 1041969946 /nfs/dbraw/zinc/96/99/46/1041969946.db2.gz RXVUBOQDAMIKPB-IBGZPJMESA-N 2 1 383.511 3.576 20 0 GHADMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236960609 1041969949 /nfs/dbraw/zinc/96/99/49/1041969949.db2.gz RXVUBOQDAMIKPB-IBGZPJMESA-N 2 1 383.511 3.576 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)cc(Br)c1 ZINC001237080722 1042026389 /nfs/dbraw/zinc/02/63/89/1042026389.db2.gz IFLNEDZJZQYLBJ-BWXMKOSVSA-N 2 1 388.147 3.913 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)cc(Br)c1 ZINC001237080722 1042026395 /nfs/dbraw/zinc/02/63/95/1042026395.db2.gz IFLNEDZJZQYLBJ-BWXMKOSVSA-N 2 1 388.147 3.913 20 0 GHADMP CCC[N@H+](Cc1ccc(Br)cc1N1CC[NH+](C)CC1)CC1CC1 ZINC001237090829 1042031497 /nfs/dbraw/zinc/03/14/97/1042031497.db2.gz BZELPDBPWWMMNE-UHFFFAOYSA-N 2 1 380.374 3.823 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001237152722 1042067050 /nfs/dbraw/zinc/06/70/50/1042067050.db2.gz ACFVPJGIWZYLQI-HZPDHXFCSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001237152722 1042067056 /nfs/dbraw/zinc/06/70/56/1042067056.db2.gz ACFVPJGIWZYLQI-HZPDHXFCSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001237152722 1042067059 /nfs/dbraw/zinc/06/70/59/1042067059.db2.gz ACFVPJGIWZYLQI-HZPDHXFCSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1[nH]c(Cl)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001237152722 1042067067 /nfs/dbraw/zinc/06/70/67/1042067067.db2.gz ACFVPJGIWZYLQI-HZPDHXFCSA-N 2 1 377.941 3.846 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1OC=CC1=S)CC2 ZINC001237177793 1042079812 /nfs/dbraw/zinc/07/98/12/1042079812.db2.gz SUIFCJSNEJEPDL-HNNXBMFYSA-N 2 1 378.563 3.885 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4Cc5ccccc5CN4)CC[C@@H]3C2)cc1 ZINC001237266600 1042114122 /nfs/dbraw/zinc/11/41/22/1042114122.db2.gz XUKKRFRGHWMUHK-SDHSZQHLSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4Cc5ccccc5CN4)CC[C@@H]3C2)cc1 ZINC001237266600 1042114129 /nfs/dbraw/zinc/11/41/29/1042114129.db2.gz XUKKRFRGHWMUHK-SDHSZQHLSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4Cc5ccccc5CN4)CC[C@@H]3C2)cc1 ZINC001237266600 1042114132 /nfs/dbraw/zinc/11/41/32/1042114132.db2.gz XUKKRFRGHWMUHK-SDHSZQHLSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC[C@@H]3C2)cc1 ZINC001237266600 1042114135 /nfs/dbraw/zinc/11/41/35/1042114135.db2.gz XUKKRFRGHWMUHK-SDHSZQHLSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3CN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC[C@@H]3C2)cc1 ZINC001237266600 1042114136 /nfs/dbraw/zinc/11/41/36/1042114136.db2.gz XUKKRFRGHWMUHK-SDHSZQHLSA-N 2 1 375.560 3.545 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(COC(=O)CC(C)C)cocc3-4)C[C@H]2C1 ZINC001237288084 1042125630 /nfs/dbraw/zinc/12/56/30/1042125630.db2.gz MFUCDOSPULWBSV-RTBURBONSA-N 2 1 384.520 3.857 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1cc(I)ccc1Cl)CC2 ZINC001237358984 1042167144 /nfs/dbraw/zinc/16/71/44/1042167144.db2.gz LAGXIRPFMGJLLH-CQSZACIVSA-N 2 1 390.696 3.648 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1scc(Br)c1Br)CC2 ZINC001237359903 1042169174 /nfs/dbraw/zinc/16/91/74/1042169174.db2.gz RVVVVVKXCBBAEC-NSHDSACASA-N 2 1 394.176 3.976 20 0 GHADMP COc1c(C)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001237502154 1042238883 /nfs/dbraw/zinc/23/88/83/1042238883.db2.gz GPAVXBXLCHGCGJ-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237539864 1042256857 /nfs/dbraw/zinc/25/68/57/1042256857.db2.gz WUVMPTNWYGBVCI-QHCPKHFHSA-N 2 1 390.531 3.590 20 0 GHADMP Clc1ccc(CCC[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2ccnc2)cc1Cl ZINC001278122715 1042287548 /nfs/dbraw/zinc/28/75/48/1042287548.db2.gz MBPGVWGRNMUTJX-PMACEKPBSA-N 2 1 393.362 3.971 20 0 GHADMP Clc1ccc(CCCN2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)cc1Cl ZINC001278122715 1042287550 /nfs/dbraw/zinc/28/75/50/1042287550.db2.gz MBPGVWGRNMUTJX-PMACEKPBSA-N 2 1 393.362 3.971 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001237709544 1042336384 /nfs/dbraw/zinc/33/63/84/1042336384.db2.gz ZXTNUAWOEUYBAZ-FQEVSTJZSA-N 2 1 384.520 3.852 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237713106 1042337841 /nfs/dbraw/zinc/33/78/41/1042337841.db2.gz CMKOEPPILDTJKU-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237713106 1042337856 /nfs/dbraw/zinc/33/78/56/1042337856.db2.gz CMKOEPPILDTJKU-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237713106 1042337861 /nfs/dbraw/zinc/33/78/61/1042337861.db2.gz CMKOEPPILDTJKU-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC(C)C)c(C)c1)C2 ZINC001237713106 1042337866 /nfs/dbraw/zinc/33/78/66/1042337866.db2.gz CMKOEPPILDTJKU-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5c4OCC5)CC3)C2)cc1 ZINC001237748148 1042351312 /nfs/dbraw/zinc/35/13/12/1042351312.db2.gz QRYYMINFPDOJII-UHFFFAOYSA-N 2 1 392.543 3.797 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3CC4(C3)CC[N@@H+](Cc3cccnc3)C4)cc21 ZINC001237877338 1042405655 /nfs/dbraw/zinc/40/56/55/1042405655.db2.gz LNMPTYNPQYNKSK-UHFFFAOYSA-N 2 1 388.559 3.791 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)cc21 ZINC001237882695 1042408538 /nfs/dbraw/zinc/40/85/38/1042408538.db2.gz SWNFRUROVSEMNT-QPPBQGQZSA-N 2 1 382.548 3.848 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)C1 ZINC001237889518 1042412035 /nfs/dbraw/zinc/41/20/35/1042412035.db2.gz MWVHHPMKHPRXIT-HXUWFJFHSA-N 2 1 378.520 3.830 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc4c[nH+]cn42)CC3)c1 ZINC001238106126 1042493491 /nfs/dbraw/zinc/49/34/91/1042493491.db2.gz XRUPSDHNDKVEQO-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CCN(Cc2cccc4c[nH+]cn42)CC3)c1 ZINC001238106126 1042493493 /nfs/dbraw/zinc/49/34/93/1042493493.db2.gz XRUPSDHNDKVEQO-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(Cc2cccc4c[nH+]cn42)CC3)c1 ZINC001238106126 1042493497 /nfs/dbraw/zinc/49/34/97/1042493497.db2.gz XRUPSDHNDKVEQO-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3cccc4c[nH+]cn43)C[C@H]21 ZINC001238107287 1042494521 /nfs/dbraw/zinc/49/45/21/1042494521.db2.gz OZSQVOHTHMUVNC-UZLBHIALSA-N 2 1 387.462 3.646 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3cccc4c[nH+]cn43)C[C@H]21 ZINC001238107287 1042494522 /nfs/dbraw/zinc/49/45/22/1042494522.db2.gz OZSQVOHTHMUVNC-UZLBHIALSA-N 2 1 387.462 3.646 20 0 GHADMP CCOc1ccc(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(Cl)c1 ZINC001238397000 1042583202 /nfs/dbraw/zinc/58/32/02/1042583202.db2.gz PLZWULSRRSXYDZ-DENIHFKCSA-N 2 1 392.971 3.919 20 0 GHADMP Fc1ccc(-c2ccccc2C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(F)c1 ZINC001238585365 1042647459 /nfs/dbraw/zinc/64/74/59/1042647459.db2.gz CQBUYRZKEIHOAK-UHFFFAOYSA-N 2 1 385.502 3.845 20 0 GHADMP Cc1ccc(I)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC001238814887 1042737665 /nfs/dbraw/zinc/73/76/65/1042737665.db2.gz UOTUWHSHLUXWKL-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP c1nc2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001240476873 1042935024 /nfs/dbraw/zinc/93/50/24/1042935024.db2.gz MIMHKHDFHGPZEF-QFIPXVFZSA-N 2 1 390.531 3.850 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001291472286 1043286811 /nfs/dbraw/zinc/28/68/11/1043286811.db2.gz OGRKIGFELXMDLL-UFYCRDLUSA-N 2 1 392.636 3.829 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256522420 1043446844 /nfs/dbraw/zinc/44/68/44/1043446844.db2.gz GWEWDXNZBVQZFU-DENIHFKCSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256522420 1043446862 /nfs/dbraw/zinc/44/68/62/1043446862.db2.gz GWEWDXNZBVQZFU-DENIHFKCSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256531559 1043466479 /nfs/dbraw/zinc/46/64/79/1043466479.db2.gz TXFCXUACSWMVCI-UGKGYDQZSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256531559 1043466493 /nfs/dbraw/zinc/46/64/93/1043466493.db2.gz TXFCXUACSWMVCI-UGKGYDQZSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535436 1043475056 /nfs/dbraw/zinc/47/50/56/1043475056.db2.gz ZIOMXKHORONTFQ-YSZBQJHXSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256535436 1043475075 /nfs/dbraw/zinc/47/50/75/1043475075.db2.gz ZIOMXKHORONTFQ-YSZBQJHXSA-N 2 1 395.522 3.683 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535431 1043475795 /nfs/dbraw/zinc/47/57/95/1043475795.db2.gz ZIMYBQXAHQCLFE-QDSKXPNFSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC001256535431 1043475800 /nfs/dbraw/zinc/47/58/00/1043475800.db2.gz ZIMYBQXAHQCLFE-QDSKXPNFSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535434 1043478212 /nfs/dbraw/zinc/47/82/12/1043478212.db2.gz ZIOMXKHORONTFQ-NMNUPHIUSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256535434 1043478215 /nfs/dbraw/zinc/47/82/15/1043478215.db2.gz ZIOMXKHORONTFQ-NMNUPHIUSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536810 1043481184 /nfs/dbraw/zinc/48/11/84/1043481184.db2.gz GBTJNTFXCBCBMD-NMIHRBCNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539562 1043488363 /nfs/dbraw/zinc/48/83/63/1043488363.db2.gz DECHCHFZFXPNBR-QGQQZZQASA-N 2 1 381.564 3.515 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539562 1043488396 /nfs/dbraw/zinc/48/83/96/1043488396.db2.gz DECHCHFZFXPNBR-QGQQZZQASA-N 2 1 381.564 3.515 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001256539562 1043488413 /nfs/dbraw/zinc/48/84/13/1043488413.db2.gz DECHCHFZFXPNBR-QGQQZZQASA-N 2 1 381.564 3.515 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001256539562 1043488423 /nfs/dbraw/zinc/48/84/23/1043488423.db2.gz DECHCHFZFXPNBR-QGQQZZQASA-N 2 1 381.564 3.515 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256540732 1043491151 /nfs/dbraw/zinc/49/11/51/1043491151.db2.gz ZGWMMFQXLPREJX-NFBKMPQASA-N 2 1 393.575 3.998 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548686 1043509117 /nfs/dbraw/zinc/50/91/17/1043509117.db2.gz BZKVJTLTNVMDGF-REWPJTCUSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548686 1043509126 /nfs/dbraw/zinc/50/91/26/1043509126.db2.gz BZKVJTLTNVMDGF-REWPJTCUSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552226 1043515439 /nfs/dbraw/zinc/51/54/39/1043515439.db2.gz ZUYGTNZTSWNOJY-VWNXMTODSA-N 2 1 393.575 3.736 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552226 1043515445 /nfs/dbraw/zinc/51/54/45/1043515445.db2.gz ZUYGTNZTSWNOJY-VWNXMTODSA-N 2 1 393.575 3.736 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552416 1043516195 /nfs/dbraw/zinc/51/61/95/1043516195.db2.gz CBSZKVOVAZGUCP-FYYLOGMGSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552416 1043516203 /nfs/dbraw/zinc/51/62/03/1043516203.db2.gz CBSZKVOVAZGUCP-FYYLOGMGSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552416 1043516205 /nfs/dbraw/zinc/51/62/05/1043516205.db2.gz CBSZKVOVAZGUCP-FYYLOGMGSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256552416 1043516209 /nfs/dbraw/zinc/51/62/09/1043516209.db2.gz CBSZKVOVAZGUCP-FYYLOGMGSA-N 2 1 378.564 3.955 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552727 1043518613 /nfs/dbraw/zinc/51/86/13/1043518613.db2.gz DONUZIVQGLTCNK-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552727 1043518616 /nfs/dbraw/zinc/51/86/16/1043518616.db2.gz DONUZIVQGLTCNK-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP COc1cc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)ccn1 ZINC001256557559 1043530610 /nfs/dbraw/zinc/53/06/10/1043530610.db2.gz MURZSQGFYAMMBR-CTNGQTDRSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)ccn1 ZINC001256557559 1043530621 /nfs/dbraw/zinc/53/06/21/1043530621.db2.gz MURZSQGFYAMMBR-CTNGQTDRSA-N 2 1 395.547 3.987 20 0 GHADMP COC1CC[NH+](C2CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)CC1 ZINC001256559298 1043532225 /nfs/dbraw/zinc/53/22/25/1043532225.db2.gz KMBAZLTUEFDYPG-OFNKIYASSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256559149 1043532483 /nfs/dbraw/zinc/53/24/83/1043532483.db2.gz YLOKURGSXWRKDM-PXNSSMCTSA-N 2 1 384.499 3.512 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559149 1043532495 /nfs/dbraw/zinc/53/24/95/1043532495.db2.gz YLOKURGSXWRKDM-PXNSSMCTSA-N 2 1 384.499 3.512 20 0 GHADMP C[C@@H]1C[C@H](N2CC[NH+]3CCc4ccccc4[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256560669 1043534670 /nfs/dbraw/zinc/53/46/70/1043534670.db2.gz SBYBTJHSUJXKRB-QFZRFWILSA-N 2 1 375.560 3.955 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3nnc(-c4cccc(F)c4)n3c2)CC1 ZINC001256565788 1043539221 /nfs/dbraw/zinc/53/92/21/1043539221.db2.gz AMZGBNCMCGNDET-UHFFFAOYSA-N 2 1 381.499 3.888 20 0 GHADMP COc1cc2c(cc1OC)C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256604454 1043567649 /nfs/dbraw/zinc/56/76/49/1043567649.db2.gz MHSWFXXZVLEKBR-QFIPXVFZSA-N 2 1 380.532 3.815 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256605712 1043569341 /nfs/dbraw/zinc/56/93/41/1043569341.db2.gz KYQHISMYBPSCMR-FPOVZHCZSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256605712 1043569346 /nfs/dbraw/zinc/56/93/46/1043569346.db2.gz KYQHISMYBPSCMR-FPOVZHCZSA-N 2 1 385.552 3.592 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC001256611917 1043575711 /nfs/dbraw/zinc/57/57/11/1043575711.db2.gz ZTFFHHFILCONDD-UKILVPOCSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC001256611917 1043575718 /nfs/dbraw/zinc/57/57/18/1043575718.db2.gz ZTFFHHFILCONDD-UKILVPOCSA-N 2 1 375.560 3.857 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@H]12 ZINC001256612952 1043577476 /nfs/dbraw/zinc/57/74/76/1043577476.db2.gz SVNGXFNVRYKVIP-BAGYTPMASA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001256612952 1043577483 /nfs/dbraw/zinc/57/74/83/1043577483.db2.gz SVNGXFNVRYKVIP-BAGYTPMASA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]12 ZINC001256612952 1043577489 /nfs/dbraw/zinc/57/74/89/1043577489.db2.gz SVNGXFNVRYKVIP-BAGYTPMASA-N 2 1 399.579 3.886 20 0 GHADMP Cc1ccc(C[N@H+](C2CCC([NH+]3CCOCC3)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256687495 1043624164 /nfs/dbraw/zinc/62/41/64/1043624164.db2.gz WSWGHPQFSPNAGM-SAXTUKQPSA-N 3 1 385.596 3.710 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC001256788876 1043652655 /nfs/dbraw/zinc/65/26/55/1043652655.db2.gz BTPKNOMYYZNWOW-JWQCQUIFSA-N 2 1 393.575 3.834 20 0 GHADMP C[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001256864666 1043709497 /nfs/dbraw/zinc/70/94/97/1043709497.db2.gz MPTYKHNEEADSSJ-VQTJNVASSA-N 2 1 388.556 3.818 20 0 GHADMP CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256864633 1043709771 /nfs/dbraw/zinc/70/97/71/1043709771.db2.gz LBLQYBUZJWJVPX-GOSISDBHSA-N 2 1 388.556 3.629 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)[C@H](C)C1 ZINC001256886220 1043723081 /nfs/dbraw/zinc/72/30/81/1043723081.db2.gz JRDYMBDPCDWGAU-QAPCUYQASA-N 2 1 384.490 3.778 20 0 GHADMP COc1ccc(Br)c(CC[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256894289 1043728468 /nfs/dbraw/zinc/72/84/68/1043728468.db2.gz GSIBPHIXAGQKSW-MRXNPFEDSA-N 2 1 381.358 3.997 20 0 GHADMP COc1ccc(Br)c(CC[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256894289 1043728480 /nfs/dbraw/zinc/72/84/80/1043728480.db2.gz GSIBPHIXAGQKSW-MRXNPFEDSA-N 2 1 381.358 3.997 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CCN([C@H]4CCC[NH+](C5CCCC5)C4)CC3)C2)cc1 ZINC001256917647 1043744800 /nfs/dbraw/zinc/74/48/00/1043744800.db2.gz IXSGVRXKOVYMTL-DEOSSOPVSA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[NH+]2CCOC3(CCN([C@H]4CCC[N@@H+](C5CCCC5)C4)CC3)C2)cc1 ZINC001256917647 1043744814 /nfs/dbraw/zinc/74/48/14/1043744814.db2.gz IXSGVRXKOVYMTL-DEOSSOPVSA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[NH+]2CCOC3(CCN([C@H]4CCC[N@H+](C5CCCC5)C4)CC3)C2)cc1 ZINC001256917647 1043744829 /nfs/dbraw/zinc/74/48/29/1043744829.db2.gz IXSGVRXKOVYMTL-DEOSSOPVSA-N 2 1 397.607 3.760 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CCC[NH+](C5CCCC5)C4)CC[N@H+]3C2)cc1 ZINC001256918537 1043745907 /nfs/dbraw/zinc/74/59/07/1043745907.db2.gz PSPKGLFCLOPRBT-WMTXJRDZSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CCC[N@@H+](C5CCCC5)C4)CC[NH+]3C2)cc1 ZINC001256918537 1043745917 /nfs/dbraw/zinc/74/59/17/1043745917.db2.gz PSPKGLFCLOPRBT-WMTXJRDZSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CCC[N@H+](C5CCCC5)C4)CC[NH+]3C2)cc1 ZINC001256918537 1043745930 /nfs/dbraw/zinc/74/59/30/1043745930.db2.gz PSPKGLFCLOPRBT-WMTXJRDZSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H]4CCC[NH+](C5CCCC5)C4)CC[N@H+]3C2)cc1 ZINC001256918533 1043746342 /nfs/dbraw/zinc/74/63/42/1043746342.db2.gz PSPKGLFCLOPRBT-AOHZBQACSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H]4CCC[N@@H+](C5CCCC5)C4)CC[NH+]3C2)cc1 ZINC001256918533 1043746350 /nfs/dbraw/zinc/74/63/50/1043746350.db2.gz PSPKGLFCLOPRBT-AOHZBQACSA-N 2 1 383.580 3.539 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN([C@@H]4CCC[N@H+](C5CCCC5)C4)CC[NH+]3C2)cc1 ZINC001256918533 1043746362 /nfs/dbraw/zinc/74/63/62/1043746362.db2.gz PSPKGLFCLOPRBT-AOHZBQACSA-N 2 1 383.580 3.539 20 0 GHADMP CC[N@@H+]1CC[C@H]1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001292464722 1043747115 /nfs/dbraw/zinc/74/71/15/1043747115.db2.gz HPQZRSGDXUBZLN-SFHVURJKSA-N 2 1 384.351 3.512 20 0 GHADMP CC[N@H+]1CC[C@H]1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001292464722 1043747128 /nfs/dbraw/zinc/74/71/28/1043747128.db2.gz HPQZRSGDXUBZLN-SFHVURJKSA-N 2 1 384.351 3.512 20 0 GHADMP CN1CC[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CC1=O ZINC001256927746 1043755396 /nfs/dbraw/zinc/75/53/96/1043755396.db2.gz FOLIOFGITGDUHF-UHFFFAOYSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CC(=O)N1 ZINC001256932190 1043758094 /nfs/dbraw/zinc/75/80/94/1043758094.db2.gz OXUSFLYGFFHYCD-QUVATAORSA-N 2 1 391.559 3.820 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)cc1Cl ZINC001292582535 1043796419 /nfs/dbraw/zinc/79/64/19/1043796419.db2.gz LSQVSGLUAQOLRW-ZDUSSCGKSA-N 2 1 390.330 3.621 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001257163818 1043909857 /nfs/dbraw/zinc/90/98/57/1043909857.db2.gz XONLIBUSKHGCLQ-KRWDZBQOSA-N 2 1 381.520 3.737 20 0 GHADMP CC(C)N1CCC([N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001257217475 1043939768 /nfs/dbraw/zinc/93/97/68/1043939768.db2.gz RWZSOWPHRPCSHE-HXUWFJFHSA-N 2 1 396.501 3.631 20 0 GHADMP CC(C)N1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001257217475 1043939773 /nfs/dbraw/zinc/93/97/73/1043939773.db2.gz RWZSOWPHRPCSHE-HXUWFJFHSA-N 2 1 396.501 3.631 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001257217475 1043939777 /nfs/dbraw/zinc/93/97/77/1043939777.db2.gz RWZSOWPHRPCSHE-HXUWFJFHSA-N 2 1 396.501 3.631 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001257217475 1043939779 /nfs/dbraw/zinc/93/97/79/1043939779.db2.gz RWZSOWPHRPCSHE-HXUWFJFHSA-N 2 1 396.501 3.631 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257578272 1044062357 /nfs/dbraw/zinc/06/23/57/1044062357.db2.gz NBMKOQHYXDXELD-IZZQQSIFSA-N 2 1 388.556 3.508 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001257818436 1044200727 /nfs/dbraw/zinc/20/07/27/1044200727.db2.gz GEUPDXJGUWNTLX-UGKGYDQZSA-N 2 1 377.573 3.726 20 0 GHADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)C1 ZINC001257973517 1044296412 /nfs/dbraw/zinc/29/64/12/1044296412.db2.gz MJGBGPJDIHEEDX-NJYVYQBISA-N 2 1 387.568 3.539 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001258014225 1044340932 /nfs/dbraw/zinc/34/09/32/1044340932.db2.gz GEFXCGHOPPZAMX-NKKJXINNSA-N 2 1 384.612 3.734 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258050291 1044371808 /nfs/dbraw/zinc/37/18/08/1044371808.db2.gz COWRYSGHCOOVPZ-HAGHYFMRSA-N 2 1 381.605 3.978 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258050291 1044371821 /nfs/dbraw/zinc/37/18/21/1044371821.db2.gz COWRYSGHCOOVPZ-HAGHYFMRSA-N 2 1 381.605 3.978 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258068081 1044380560 /nfs/dbraw/zinc/38/05/60/1044380560.db2.gz VPKMJUGDTKPQIB-PMACEKPBSA-N 2 1 391.604 3.557 20 0 GHADMP C[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001258148341 1044438536 /nfs/dbraw/zinc/43/85/36/1044438536.db2.gz GDMVBZNIRVUCAU-QFIPXVFZSA-N 2 1 377.576 3.900 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001258389285 1044531080 /nfs/dbraw/zinc/53/10/80/1044531080.db2.gz LKLUMQOZVJFVAY-HXUWFJFHSA-N 2 1 381.564 3.554 20 0 GHADMP C[C@H](CC1CC1)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258462952 1044572277 /nfs/dbraw/zinc/57/22/77/1044572277.db2.gz UFNJCJQHGZYACF-VEXUSMLFSA-N 2 1 383.580 3.821 20 0 GHADMP O=C1CC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001258582678 1044658507 /nfs/dbraw/zinc/65/85/07/1044658507.db2.gz ADSMYVVSRAPPOQ-XZOQPEGZSA-N 2 1 383.580 3.908 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258646077 1044686491 /nfs/dbraw/zinc/68/64/91/1044686491.db2.gz JEJVGBQQSKSNGM-QFIPXVFZSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258646077 1044686498 /nfs/dbraw/zinc/68/64/98/1044686498.db2.gz JEJVGBQQSKSNGM-QFIPXVFZSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258646077 1044686503 /nfs/dbraw/zinc/68/65/03/1044686503.db2.gz JEJVGBQQSKSNGM-QFIPXVFZSA-N 2 1 391.559 3.745 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258657176 1044696062 /nfs/dbraw/zinc/69/60/62/1044696062.db2.gz VNURAGITBRJXCE-WXFUMESZSA-N 2 1 397.607 3.805 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697940 1044719969 /nfs/dbraw/zinc/71/99/69/1044719969.db2.gz UITOFGALDAXVFH-IWTFSIHTSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697940 1044719989 /nfs/dbraw/zinc/71/99/89/1044719989.db2.gz UITOFGALDAXVFH-IWTFSIHTSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697940 1044720004 /nfs/dbraw/zinc/72/00/04/1044720004.db2.gz UITOFGALDAXVFH-IWTFSIHTSA-N 2 1 385.600 3.668 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC(C)(C)C1 ZINC001258697940 1044720015 /nfs/dbraw/zinc/72/00/15/1044720015.db2.gz UITOFGALDAXVFH-IWTFSIHTSA-N 2 1 385.600 3.668 20 0 GHADMP CCC[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001258777348 1044761379 /nfs/dbraw/zinc/76/13/79/1044761379.db2.gz RIOJALZZOWDBPY-UHFFFAOYSA-N 2 1 397.485 3.774 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC001258862176 1044802229 /nfs/dbraw/zinc/80/22/29/1044802229.db2.gz PWLCPZWMWLXOIQ-SJLPKXTDSA-N 2 1 376.541 3.640 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)cc(OC)c1OC ZINC001258862176 1044802245 /nfs/dbraw/zinc/80/22/45/1044802245.db2.gz PWLCPZWMWLXOIQ-SJLPKXTDSA-N 2 1 376.541 3.640 20 0 GHADMP CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001258910088 1044863971 /nfs/dbraw/zinc/86/39/71/1044863971.db2.gz NOFJZNCDPLUMBJ-GOSISDBHSA-N 2 1 376.589 3.698 20 0 GHADMP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065640 1045240366 /nfs/dbraw/zinc/24/03/66/1045240366.db2.gz MUMLCESWRGMAGQ-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065640 1045240376 /nfs/dbraw/zinc/24/03/76/1045240376.db2.gz MUMLCESWRGMAGQ-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065640 1045240389 /nfs/dbraw/zinc/24/03/89/1045240389.db2.gz MUMLCESWRGMAGQ-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC001261492486 1046006444 /nfs/dbraw/zinc/00/64/44/1046006444.db2.gz HIMNUOIQMNZAIK-UHFFFAOYSA-N 2 1 389.849 3.763 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001303171114 1047301583 /nfs/dbraw/zinc/30/15/83/1047301583.db2.gz JQINBVGODKKQJO-DEOSSOPVSA-N 2 1 393.575 3.917 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC001265192690 1047571783 /nfs/dbraw/zinc/57/17/83/1047571783.db2.gz IBBNYFLQOCFCQZ-QPPBQGQZSA-N 2 1 393.575 3.986 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC001265192690 1047571789 /nfs/dbraw/zinc/57/17/89/1047571789.db2.gz IBBNYFLQOCFCQZ-QPPBQGQZSA-N 2 1 393.575 3.986 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(Cl)c3Cl)C[C@H]2CC1 ZINC001279204851 1047742614 /nfs/dbraw/zinc/74/26/14/1047742614.db2.gz CYAXTYIPGPZUFC-IYBDPMFKSA-N 2 1 387.351 3.758 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@H]2CC1 ZINC001279204851 1047742616 /nfs/dbraw/zinc/74/26/16/1047742616.db2.gz CYAXTYIPGPZUFC-IYBDPMFKSA-N 2 1 387.351 3.758 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@H]2CC1 ZINC001279204851 1047742619 /nfs/dbraw/zinc/74/26/19/1047742619.db2.gz CYAXTYIPGPZUFC-IYBDPMFKSA-N 2 1 387.351 3.758 20 0 GHADMP COC1CCC(C[NH+]2CCC3(CC[N@@H+](Cc4scnc4C)C3)CC2)CC1 ZINC001279265903 1047751817 /nfs/dbraw/zinc/75/18/17/1047751817.db2.gz OMEVVOCTEMHADN-UHFFFAOYSA-N 2 1 377.598 3.945 20 0 GHADMP Fc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279442945 1047809222 /nfs/dbraw/zinc/80/92/22/1047809222.db2.gz ZXVVJWVBNBXPBT-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279442945 1047809232 /nfs/dbraw/zinc/80/92/32/1047809232.db2.gz ZXVVJWVBNBXPBT-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279442945 1047809238 /nfs/dbraw/zinc/80/92/38/1047809238.db2.gz ZXVVJWVBNBXPBT-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Cc1ccc(F)c(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1Cl ZINC001279445365 1047810961 /nfs/dbraw/zinc/81/09/61/1047810961.db2.gz KXPWAPMDWHFCND-UHFFFAOYSA-N 2 1 376.907 3.582 20 0 GHADMP CN(C)CC1(C[NH+]2CCC3(C[NH+](CCCC(F)(F)F)C3)CC2)CCCC1 ZINC001279492896 1047823985 /nfs/dbraw/zinc/82/39/85/1047823985.db2.gz SWYPGOGWZRPUSD-UHFFFAOYSA-N 2 1 375.523 3.849 20 0 GHADMP Brc1cccnc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279551231 1047838799 /nfs/dbraw/zinc/83/87/99/1047838799.db2.gz JWDHLGAZFWYHJQ-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279551231 1047838806 /nfs/dbraw/zinc/83/88/06/1047838806.db2.gz JWDHLGAZFWYHJQ-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279551231 1047838811 /nfs/dbraw/zinc/83/88/11/1047838811.db2.gz JWDHLGAZFWYHJQ-IYBDPMFKSA-N 2 1 389.341 3.516 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(O)c3)C[C@H]2CC1 ZINC001279656546 1047897179 /nfs/dbraw/zinc/89/71/79/1047897179.db2.gz KTJQFKMCSXBSER-CALCHBBNSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(O)c3)C[C@H]2CC1 ZINC001279656546 1047897195 /nfs/dbraw/zinc/89/71/95/1047897195.db2.gz KTJQFKMCSXBSER-CALCHBBNSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c(O)c3)C[C@H]2CC1 ZINC001279656546 1047897210 /nfs/dbraw/zinc/89/72/10/1047897210.db2.gz KTJQFKMCSXBSER-CALCHBBNSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ccc(Br)c(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001279663691 1047904210 /nfs/dbraw/zinc/90/42/10/1047904210.db2.gz BCSOIZMCSKPOCU-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1oc(Br)nc1CN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279965947 1048018675 /nfs/dbraw/zinc/01/86/75/1048018675.db2.gz JNPLCXVPQDLADJ-GASCZTMLSA-N 2 1 382.346 3.832 20 0 GHADMP Cc1oc(Br)nc1C[N@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279965947 1048018689 /nfs/dbraw/zinc/01/86/89/1048018689.db2.gz JNPLCXVPQDLADJ-GASCZTMLSA-N 2 1 382.346 3.832 20 0 GHADMP Cc1oc(Br)nc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279965947 1048018700 /nfs/dbraw/zinc/01/87/00/1048018700.db2.gz JNPLCXVPQDLADJ-GASCZTMLSA-N 2 1 382.346 3.832 20 0 GHADMP Cc1oc(Br)nc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279965947 1048018714 /nfs/dbraw/zinc/01/87/14/1048018714.db2.gz JNPLCXVPQDLADJ-GASCZTMLSA-N 2 1 382.346 3.832 20 0 GHADMP Cc1oc(Br)nc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279965947 1048018724 /nfs/dbraw/zinc/01/87/24/1048018724.db2.gz JNPLCXVPQDLADJ-GASCZTMLSA-N 2 1 382.346 3.832 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001280318889 1048181285 /nfs/dbraw/zinc/18/12/85/1048181285.db2.gz QSVBYFYOHGQVTF-PMACEKPBSA-N 2 1 394.401 3.783 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC000821991690 1048362745 /nfs/dbraw/zinc/36/27/45/1048362745.db2.gz WFSJPUSRBLZFCF-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H](c1cccnc1)[NH+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001307482617 1049320706 /nfs/dbraw/zinc/32/07/06/1049320706.db2.gz HKOYANDZUDVNIT-OAQYLSRUSA-N 2 1 378.564 3.946 20 0 GHADMP C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001307482617 1049320720 /nfs/dbraw/zinc/32/07/20/1049320720.db2.gz HKOYANDZUDVNIT-OAQYLSRUSA-N 2 1 378.564 3.946 20 0 GHADMP C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC001307497182 1049335375 /nfs/dbraw/zinc/33/53/75/1049335375.db2.gz DGFWAYMLQRDYPV-GOSISDBHSA-N 2 1 376.541 3.827 20 0 GHADMP C[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)CC[C@H]1CCCC[NH+]1C ZINC001307497182 1049335393 /nfs/dbraw/zinc/33/53/93/1049335393.db2.gz DGFWAYMLQRDYPV-GOSISDBHSA-N 2 1 376.541 3.827 20 0 GHADMP C[NH+](CCOc1ccccc1C(=O)OC(C)(C)C)CC[C@H]1CCCC[N@@H+]1C ZINC001307497182 1049335408 /nfs/dbraw/zinc/33/54/08/1049335408.db2.gz DGFWAYMLQRDYPV-GOSISDBHSA-N 2 1 376.541 3.827 20 0 GHADMP C[NH+](CCOc1ccccc1C(=O)OC(C)(C)C)CC[C@H]1CCCC[N@H+]1C ZINC001307497182 1049335424 /nfs/dbraw/zinc/33/54/24/1049335424.db2.gz DGFWAYMLQRDYPV-GOSISDBHSA-N 2 1 376.541 3.827 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1)c1ccccc1 ZINC001307518535 1049363369 /nfs/dbraw/zinc/36/33/69/1049363369.db2.gz SAFURYOWXODKPZ-ZCYQVOJMSA-N 2 1 393.575 3.750 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001307592089 1049430250 /nfs/dbraw/zinc/43/02/50/1049430250.db2.gz JLAIMIJXDFBWFF-XFKSJGNHSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001307592089 1049430257 /nfs/dbraw/zinc/43/02/57/1049430257.db2.gz JLAIMIJXDFBWFF-XFKSJGNHSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001307592089 1049430266 /nfs/dbraw/zinc/43/02/66/1049430266.db2.gz JLAIMIJXDFBWFF-XFKSJGNHSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001307592089 1049430277 /nfs/dbraw/zinc/43/02/77/1049430277.db2.gz JLAIMIJXDFBWFF-XFKSJGNHSA-N 2 1 377.573 3.629 20 0 GHADMP CCOCC[C@H](O)C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001307824924 1049618434 /nfs/dbraw/zinc/61/84/34/1049618434.db2.gz BYJSUXMVUASVKC-BJKOFHAPSA-N 2 1 388.596 3.931 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1)c1ccccc1 ZINC001307865594 1049646394 /nfs/dbraw/zinc/64/63/94/1049646394.db2.gz JQHGTIPPCZPBOS-VWNXMTODSA-N 2 1 397.538 3.642 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955760 1049721143 /nfs/dbraw/zinc/72/11/43/1049721143.db2.gz WMODAHSTGXAIJF-KNQAVFIVSA-N 2 1 387.568 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955760 1049721148 /nfs/dbraw/zinc/72/11/48/1049721148.db2.gz WMODAHSTGXAIJF-KNQAVFIVSA-N 2 1 387.568 3.583 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCCC34CCOCC4)C2)ccn1 ZINC001307955760 1049721153 /nfs/dbraw/zinc/72/11/53/1049721153.db2.gz WMODAHSTGXAIJF-KNQAVFIVSA-N 2 1 387.568 3.583 20 0 GHADMP COCC[N@@H+](CCCc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC001307988595 1049742610 /nfs/dbraw/zinc/74/26/10/1049742610.db2.gz OJKRMTKDYJGJAN-UHFFFAOYSA-N 2 1 383.374 3.672 20 0 GHADMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308089781 1049837360 /nfs/dbraw/zinc/83/73/60/1049837360.db2.gz OFHLXAZWOFZOMS-GOSISDBHSA-N 2 1 388.556 3.629 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001308129094 1049872957 /nfs/dbraw/zinc/87/29/57/1049872957.db2.gz NUHOLMMLCIRZOE-IBGZPJMESA-N 2 1 392.341 3.718 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001308129094 1049872966 /nfs/dbraw/zinc/87/29/66/1049872966.db2.gz NUHOLMMLCIRZOE-IBGZPJMESA-N 2 1 392.341 3.718 20 0 GHADMP COc1ccccc1/C=C/C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001308198436 1049909602 /nfs/dbraw/zinc/90/96/02/1049909602.db2.gz XOTGEEFWRHTSJY-NWMLYGLHSA-N 2 1 379.548 3.677 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C4CCOCC4)C3)c2)CCO1 ZINC001308220087 1049917548 /nfs/dbraw/zinc/91/75/48/1049917548.db2.gz FPTDRVGWOOGGMW-CTUHWIOQSA-N 2 1 386.580 3.982 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C4CCOCC4)C3)c2)CCO1 ZINC001308220087 1049917550 /nfs/dbraw/zinc/91/75/50/1049917550.db2.gz FPTDRVGWOOGGMW-CTUHWIOQSA-N 2 1 386.580 3.982 20 0 GHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001308224039 1049918658 /nfs/dbraw/zinc/91/86/58/1049918658.db2.gz DBHZLWJAPJKQIO-HUUCEWRRSA-N 2 1 395.510 3.932 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001308224039 1049918662 /nfs/dbraw/zinc/91/86/62/1049918662.db2.gz DBHZLWJAPJKQIO-HUUCEWRRSA-N 2 1 395.510 3.932 20 0 GHADMP Cc1cc(C)c(/C=C\C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001308586734 1050020820 /nfs/dbraw/zinc/02/08/20/1050020820.db2.gz NGWPAGWLXZTJQG-WAYWQWQTSA-N 2 1 383.580 3.501 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001308682411 1050058486 /nfs/dbraw/zinc/05/84/86/1050058486.db2.gz UFPMIHAXCKIFEW-JBACZVJFSA-N 2 1 385.552 3.640 20 0 GHADMP CCNc1ccccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001308757015 1050084298 /nfs/dbraw/zinc/08/42/98/1050084298.db2.gz GRPFQPNNLONYSE-QHCPKHFHSA-N 2 1 378.564 3.511 20 0 GHADMP CCNc1ccccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308757015 1050084302 /nfs/dbraw/zinc/08/43/02/1050084302.db2.gz GRPFQPNNLONYSE-QHCPKHFHSA-N 2 1 378.564 3.511 20 0 GHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308985086 1050246541 /nfs/dbraw/zinc/24/65/41/1050246541.db2.gz RUAPLUZOSXXOBR-YUXAGFNASA-N 2 1 379.589 3.591 20 0 GHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308985086 1050246557 /nfs/dbraw/zinc/24/65/57/1050246557.db2.gz RUAPLUZOSXXOBR-YUXAGFNASA-N 2 1 379.589 3.591 20 0 GHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308985086 1050246571 /nfs/dbraw/zinc/24/65/71/1050246571.db2.gz RUAPLUZOSXXOBR-YUXAGFNASA-N 2 1 379.589 3.591 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001327687462 1050252375 /nfs/dbraw/zinc/25/23/75/1050252375.db2.gz JUOVTSSHYKYSPG-MBJRSGMTSA-N 2 1 398.595 3.746 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC001328411821 1050501286 /nfs/dbraw/zinc/50/12/86/1050501286.db2.gz ATMFDUMAWBDDEX-STQMWFEESA-N 2 1 376.394 3.711 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C)c4[nH+]ccn4c3)c(C)c2)CC1 ZINC001310806744 1051606056 /nfs/dbraw/zinc/60/60/56/1051606056.db2.gz OAWKZXKVKJPWMU-UHFFFAOYSA-N 2 1 392.507 3.737 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(C(C)(C)O)cc1 ZINC001334361949 1051934113 /nfs/dbraw/zinc/93/41/13/1051934113.db2.gz XGQLKNDWKIYIKN-LJQANCHMSA-N 2 1 381.564 3.512 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001311343775 1052039732 /nfs/dbraw/zinc/03/97/32/1052039732.db2.gz HLUHJVXLUUCQCK-WOJBJXKFSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311419019 1052122479 /nfs/dbraw/zinc/12/24/79/1052122479.db2.gz QAZIQGWKPSKXAK-UNMCSNQZSA-N 2 1 388.600 3.972 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[NH+]3CCCCC3)cc2)C1 ZINC001311493928 1052200669 /nfs/dbraw/zinc/20/06/69/1052200669.db2.gz CRPLLXMNSJVBRC-FQEVSTJZSA-N 2 1 386.584 3.546 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001336722912 1052316033 /nfs/dbraw/zinc/31/60/33/1052316033.db2.gz NOFVRCOZRREQOE-LJQANCHMSA-N 2 1 389.421 3.893 20 0 GHADMP CC(C)[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC001311672130 1052318620 /nfs/dbraw/zinc/31/86/20/1052318620.db2.gz JHXDFNTYNORRIC-WOZUAGRISA-N 2 1 380.621 3.553 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC001336737872 1052318810 /nfs/dbraw/zinc/31/88/10/1052318810.db2.gz RWIRLEALFNJSTN-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC001337057205 1052387621 /nfs/dbraw/zinc/38/76/21/1052387621.db2.gz HUTLHWAZTYIAQC-QFIPXVFZSA-N 2 1 384.568 3.663 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC001311886580 1052457663 /nfs/dbraw/zinc/45/76/63/1052457663.db2.gz JXCGKLXPYXGPMG-HXUWFJFHSA-N 2 1 378.605 3.691 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC001312557380 1052789864 /nfs/dbraw/zinc/78/98/64/1052789864.db2.gz APPHPIRNGROFQA-PKTZIBPZSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC001312557380 1052789869 /nfs/dbraw/zinc/78/98/69/1052789869.db2.gz APPHPIRNGROFQA-PKTZIBPZSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC001312557380 1052789872 /nfs/dbraw/zinc/78/98/72/1052789872.db2.gz APPHPIRNGROFQA-PKTZIBPZSA-N 2 1 398.595 3.603 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001312786938 1052869509 /nfs/dbraw/zinc/86/95/09/1052869509.db2.gz QUUUMFZPEIVLGJ-NHCUHLMSSA-N 2 1 388.600 3.804 20 0 GHADMP CN(C(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC001313246135 1052995368 /nfs/dbraw/zinc/99/53/68/1052995368.db2.gz DYTAEPYVRLUHOY-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001343677189 1053966781 /nfs/dbraw/zinc/96/67/81/1053966781.db2.gz TZEQRSHOJPVHRI-AUSIDOKSSA-N 2 1 384.568 3.628 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001343677191 1053966945 /nfs/dbraw/zinc/96/69/45/1053966945.db2.gz TZEQRSHOJPVHRI-WMZHIEFXSA-N 2 1 384.568 3.628 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001317907918 1054303045 /nfs/dbraw/zinc/30/30/45/1054303045.db2.gz KSPADPUXPOPDIA-IBGZPJMESA-N 2 1 386.584 3.687 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001318296424 1054552893 /nfs/dbraw/zinc/55/28/93/1054552893.db2.gz YALHFSCCNWJQLI-NRFANRHFSA-N 2 1 390.547 3.559 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318449558 1054646648 /nfs/dbraw/zinc/64/66/48/1054646648.db2.gz BMZIWMMACYEIBA-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001318449558 1054646658 /nfs/dbraw/zinc/64/66/58/1054646658.db2.gz BMZIWMMACYEIBA-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP CCC(CC)(CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC001318662198 1054782613 /nfs/dbraw/zinc/78/26/13/1054782613.db2.gz RSXWRZBBCKEIAY-CTNGQTDRSA-N 2 1 386.584 3.776 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001318864626 1054922793 /nfs/dbraw/zinc/92/27/93/1054922793.db2.gz CIWOVVWQAKDTME-XZOQPEGZSA-N 2 1 383.580 3.540 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC001318864626 1054922800 /nfs/dbraw/zinc/92/28/00/1054922800.db2.gz CIWOVVWQAKDTME-XZOQPEGZSA-N 2 1 383.580 3.540 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC001318864626 1054922806 /nfs/dbraw/zinc/92/28/06/1054922806.db2.gz CIWOVVWQAKDTME-XZOQPEGZSA-N 2 1 383.580 3.540 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001319288604 1055158232 /nfs/dbraw/zinc/15/82/32/1055158232.db2.gz CVYXWZAEDTUSCZ-OFNKIYASSA-N 3 1 384.612 3.571 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001319301889 1055168211 /nfs/dbraw/zinc/16/82/11/1055168211.db2.gz FWFQNCRHTALVQN-LJQANCHMSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cnc2ccsc2c1 ZINC001319391313 1055223477 /nfs/dbraw/zinc/22/34/77/1055223477.db2.gz AABVPJAQUDTANN-KRWDZBQOSA-N 2 1 380.561 3.895 20 0 GHADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001319543963 1055316383 /nfs/dbraw/zinc/31/63/83/1055316383.db2.gz YOMFOJGWGSKQDU-FPOVZHCZSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001319543963 1055316394 /nfs/dbraw/zinc/31/63/94/1055316394.db2.gz YOMFOJGWGSKQDU-FPOVZHCZSA-N 2 1 396.579 3.751 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC001319691866 1055400738 /nfs/dbraw/zinc/40/07/38/1055400738.db2.gz PLXWKWRTBWMPMV-JRGCBEDISA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319691866 1055400745 /nfs/dbraw/zinc/40/07/45/1055400745.db2.gz PLXWKWRTBWMPMV-JRGCBEDISA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001319691866 1055400752 /nfs/dbraw/zinc/40/07/52/1055400752.db2.gz PLXWKWRTBWMPMV-JRGCBEDISA-N 2 1 390.547 3.525 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001319879130 1055518415 /nfs/dbraw/zinc/51/84/15/1055518415.db2.gz OMIZQCBBOMVHRL-CEMLEFRQSA-N 2 1 383.580 3.668 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001354031807 1056263863 /nfs/dbraw/zinc/26/38/63/1056263863.db2.gz NDTOCBAXNRJEAD-QFIPXVFZSA-N 2 1 383.580 3.814 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 ZINC001355211204 1057083935 /nfs/dbraw/zinc/08/39/35/1057083935.db2.gz LYZFDBPCEVCACJ-NSCUHMNNSA-N 2 1 396.438 3.566 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324338707 1057115548 /nfs/dbraw/zinc/11/55/48/1057115548.db2.gz XFEUNHDCYUPSCQ-FRIKZZABSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000848533055 1057153949 /nfs/dbraw/zinc/15/39/49/1057153949.db2.gz GTSUAUDADNKLPP-OHNRDTAOSA-N 2 1 387.351 3.648 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000848533057 1057154289 /nfs/dbraw/zinc/15/42/89/1057154289.db2.gz GTSUAUDADNKLPP-ZBQZNYHESA-N 2 1 387.351 3.648 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326278026 1057446057 /nfs/dbraw/zinc/44/60/57/1057446057.db2.gz QDQMFODEJMIGGV-QGZVFWFLSA-N 2 1 390.597 3.663 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001326583086 1057516675 /nfs/dbraw/zinc/51/66/75/1057516675.db2.gz CHXJJBJRQQKNDX-QFIPXVFZSA-N 2 1 399.579 3.605 20 0 GHADMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000849085646 1057587716 /nfs/dbraw/zinc/58/77/16/1057587716.db2.gz SIPBKQBKJRWVHG-IBGZPJMESA-N 2 1 396.535 3.942 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCc2ccccc2F)cc1 ZINC000849087797 1057588336 /nfs/dbraw/zinc/58/83/36/1057588336.db2.gz OKALVKAJBSLDLF-IBGZPJMESA-N 2 1 384.499 3.503 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001439894387 1058337355 /nfs/dbraw/zinc/33/73/55/1058337355.db2.gz QQVILBCTBIATBP-ROUUACIJSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001439894387 1058337372 /nfs/dbraw/zinc/33/73/72/1058337372.db2.gz QQVILBCTBIATBP-ROUUACIJSA-N 2 1 385.474 3.689 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccsc1 ZINC001441003964 1058672892 /nfs/dbraw/zinc/67/28/92/1058672892.db2.gz HPYCFAQYQSZLPR-NHCUHLMSSA-N 2 1 397.588 3.769 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F ZINC001338765109 1058772970 /nfs/dbraw/zinc/77/29/70/1058772970.db2.gz MOZZPEPUYKUPOM-NSHDSACASA-N 2 1 375.366 3.820 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Nc2ccccc2)c1 ZINC001442923363 1059028487 /nfs/dbraw/zinc/02/84/87/1059028487.db2.gz MKHXHFVYOJAYOI-HSZRJFAPSA-N 2 1 394.563 3.918 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001443289718 1059097832 /nfs/dbraw/zinc/09/78/32/1059097832.db2.gz JCRSCAHQSBMHIO-DHIUTWEWSA-N 2 1 397.538 3.580 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001444127950 1059268766 /nfs/dbraw/zinc/26/87/66/1059268766.db2.gz FFERUZSZIQNIMO-QXAKKESOSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+]1CCCCC1 ZINC001446718022 1059840848 /nfs/dbraw/zinc/84/08/48/1059840848.db2.gz WOWAYVMAKGEBBP-MOUTVQLLSA-N 2 1 397.607 3.914 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cc(C)ccc1OC ZINC001341675003 1060802388 /nfs/dbraw/zinc/80/23/88/1060802388.db2.gz JTERPSLYRDDHKO-HSZRJFAPSA-N 2 1 381.564 3.992 20 0 GHADMP Clc1ccc(-n2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)nn2)c(Cl)c1 ZINC001345956767 1061241979 /nfs/dbraw/zinc/24/19/79/1061241979.db2.gz RDUDGVRTFXWSOK-UHFFFAOYSA-N 2 1 380.323 3.540 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)c1 ZINC001454458274 1061788044 /nfs/dbraw/zinc/78/80/44/1061788044.db2.gz HAHNCORGTFXTLY-DNQXCXABSA-N 2 1 391.559 3.831 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)c1 ZINC001454458274 1061788059 /nfs/dbraw/zinc/78/80/59/1061788059.db2.gz HAHNCORGTFXTLY-DNQXCXABSA-N 2 1 391.559 3.831 20 0 GHADMP CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)(c2ccccc2)CC1 ZINC001454875223 1061948807 /nfs/dbraw/zinc/94/88/07/1061948807.db2.gz JQRAKGZRYFAVBH-QHCPKHFHSA-N 2 1 397.607 3.953 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001456974540 1062935164 /nfs/dbraw/zinc/93/51/64/1062935164.db2.gz CDYCIOSPMHRALU-RPWUZVMVSA-N 2 1 391.559 3.804 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001459315426 1064059715 /nfs/dbraw/zinc/05/97/15/1064059715.db2.gz LZLWYQZUGTYRAS-FCHUYYIVSA-N 2 1 399.966 3.970 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001459315426 1064059722 /nfs/dbraw/zinc/05/97/22/1064059722.db2.gz LZLWYQZUGTYRAS-FCHUYYIVSA-N 2 1 399.966 3.970 20 0 GHADMP CCC[C@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001459569878 1064131324 /nfs/dbraw/zinc/13/13/24/1064131324.db2.gz IPISTBZAPRZOQD-XMMPIXPASA-N 2 1 385.596 3.978 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)CC2 ZINC001351023665 1064242302 /nfs/dbraw/zinc/24/23/02/1064242302.db2.gz OJKOOKVGOSXJDM-JOCHJYFZSA-N 2 1 398.595 3.549 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)CC2 ZINC001351023665 1064242310 /nfs/dbraw/zinc/24/23/10/1064242310.db2.gz OJKOOKVGOSXJDM-JOCHJYFZSA-N 2 1 398.595 3.549 20 0 GHADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001460029882 1064359485 /nfs/dbraw/zinc/35/94/85/1064359485.db2.gz NBRRNMJMKCUYIK-OAQYLSRUSA-N 2 1 377.960 3.667 20 0 GHADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001460029882 1064359496 /nfs/dbraw/zinc/35/94/96/1064359496.db2.gz NBRRNMJMKCUYIK-OAQYLSRUSA-N 2 1 377.960 3.667 20 0 GHADMP C[N@H+]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](c2ccccc2)C1 ZINC001463561142 1064461779 /nfs/dbraw/zinc/46/17/79/1064461779.db2.gz CTMOYSMNQBJLHE-YADHBBJMSA-N 2 1 383.580 3.637 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[NH+]3C[C@H](C)C[C@H](C)C3)C[N@H+]2C1 ZINC001464204163 1064906257 /nfs/dbraw/zinc/90/62/57/1064906257.db2.gz QCDXYAVQTNXZDQ-ABPIBVIQSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@H+]3C[C@H](C)C[C@H](C)C3)C[NH+]2C1 ZINC001464204163 1064906265 /nfs/dbraw/zinc/90/62/65/1064906265.db2.gz QCDXYAVQTNXZDQ-ABPIBVIQSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C[NH+]2C1 ZINC001464204163 1064906266 /nfs/dbraw/zinc/90/62/66/1064906266.db2.gz QCDXYAVQTNXZDQ-ABPIBVIQSA-N 2 1 397.607 3.901 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001464380133 1064979964 /nfs/dbraw/zinc/97/99/64/1064979964.db2.gz YBLIQVGETPARJS-RBBKRZOGSA-N 2 1 385.596 3.915 20 0 GHADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC001464643017 1065131019 /nfs/dbraw/zinc/13/10/19/1065131019.db2.gz MJSBLJMAZMMNID-GOSISDBHSA-N 2 1 397.588 3.911 20 0 GHADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[N@H+]1CCc2sccc2C1 ZINC001464643017 1065131024 /nfs/dbraw/zinc/13/10/24/1065131024.db2.gz MJSBLJMAZMMNID-GOSISDBHSA-N 2 1 397.588 3.911 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1Cc1ccccc1 ZINC001465145278 1065416278 /nfs/dbraw/zinc/41/62/78/1065416278.db2.gz HZUQYBCLRSWNAK-IBGZPJMESA-N 2 1 382.552 3.671 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1Cc1ccccc1 ZINC001465145278 1065416284 /nfs/dbraw/zinc/41/62/84/1065416284.db2.gz HZUQYBCLRSWNAK-IBGZPJMESA-N 2 1 382.552 3.671 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(F)ccc3N(C)C)CC2)cs1 ZINC001200487067 1066344886 /nfs/dbraw/zinc/34/48/86/1066344886.db2.gz RMUKDNHKHGHJMT-UHFFFAOYSA-N 2 1 390.572 3.912 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)[NH+](C)C)cc1 ZINC001477651146 1078508828 /nfs/dbraw/zinc/50/88/28/1078508828.db2.gz YIRJGWZBVFSXRB-NFBKMPQASA-N 2 1 394.563 3.686 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001477727061 1078543972 /nfs/dbraw/zinc/54/39/72/1078543972.db2.gz RZXMVHPHQMMSAH-PMACEKPBSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001468265857 1067659288 /nfs/dbraw/zinc/65/92/88/1067659288.db2.gz HIEGPIOYACBQFV-YOUFYPILSA-N 2 1 388.600 3.734 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC001468287187 1067668994 /nfs/dbraw/zinc/66/89/94/1067668994.db2.gz FKXBTPZWXPGPPP-FQEVSTJZSA-N 2 1 390.572 3.760 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[NH+](C)C)cc1 ZINC001468351916 1067698976 /nfs/dbraw/zinc/69/89/76/1067698976.db2.gz SEYMURMTAPHJRN-VXKWHMMOSA-N 2 1 386.584 3.694 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1C)C(C)C ZINC001477852101 1078594814 /nfs/dbraw/zinc/59/48/14/1078594814.db2.gz IAPBZTDEJAGEDD-UNMCSNQZSA-N 2 1 388.600 3.750 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001477866145 1078601444 /nfs/dbraw/zinc/60/14/44/1078601444.db2.gz YYDOGMJFJDCCFB-BAGYTPMASA-N 2 1 388.600 3.926 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001477865823 1078601708 /nfs/dbraw/zinc/60/17/08/1078601708.db2.gz ATQRGFRRCBPOPI-RBUKOAKNSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001477865823 1078601715 /nfs/dbraw/zinc/60/17/15/1078601715.db2.gz ATQRGFRRCBPOPI-RBUKOAKNSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001477865823 1078601720 /nfs/dbraw/zinc/60/17/20/1078601720.db2.gz ATQRGFRRCBPOPI-RBUKOAKNSA-N 2 1 378.605 3.593 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC001468765875 1067869821 /nfs/dbraw/zinc/86/98/21/1067869821.db2.gz WPTCMEHIBQBFNC-LEWJYISDSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001469157815 1068000088 /nfs/dbraw/zinc/00/00/88/1068000088.db2.gz NLHAUHIBFSMLHB-BRGVPRLLSA-N 2 1 386.584 3.602 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cc1 ZINC001478040636 1078686890 /nfs/dbraw/zinc/68/68/90/1078686890.db2.gz YCNAAVTZDOHLCD-FGZHOGPDSA-N 2 1 386.584 3.510 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)C ZINC001478056568 1078694280 /nfs/dbraw/zinc/69/42/80/1078694280.db2.gz CVMZUAGCWIAMEW-VCOUNFBDSA-N 2 1 386.584 3.550 20 0 GHADMP Fc1ccc(OC[C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001460850977 1069220150 /nfs/dbraw/zinc/22/01/50/1069220150.db2.gz NIZSOHFQNHYLIC-QFIPXVFZSA-N 2 1 384.495 3.701 20 0 GHADMP Fc1ccc(OC[C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001460850977 1069220163 /nfs/dbraw/zinc/22/01/63/1069220163.db2.gz NIZSOHFQNHYLIC-QFIPXVFZSA-N 2 1 384.495 3.701 20 0 GHADMP CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC001460928986 1069279922 /nfs/dbraw/zinc/27/99/22/1069279922.db2.gz BEKRTDMGUVHQQG-MOPGFXCFSA-N 2 1 379.589 3.828 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001478597191 1078929720 /nfs/dbraw/zinc/92/97/20/1078929720.db2.gz XQNKBYLEMNQPJI-HIUFNZKISA-N 2 1 386.584 3.554 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001478597191 1078929724 /nfs/dbraw/zinc/92/97/24/1078929724.db2.gz XQNKBYLEMNQPJI-HIUFNZKISA-N 2 1 386.584 3.554 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001478597191 1078929727 /nfs/dbraw/zinc/92/97/27/1078929727.db2.gz XQNKBYLEMNQPJI-HIUFNZKISA-N 2 1 386.584 3.554 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001471047289 1072903303 /nfs/dbraw/zinc/90/33/03/1072903303.db2.gz RKOPRKAEXKIKHZ-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001471047289 1072903306 /nfs/dbraw/zinc/90/33/06/1072903306.db2.gz RKOPRKAEXKIKHZ-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471047289 1072903308 /nfs/dbraw/zinc/90/33/08/1072903308.db2.gz RKOPRKAEXKIKHZ-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)C[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001478918507 1079025676 /nfs/dbraw/zinc/02/56/76/1079025676.db2.gz FXSWMXWXCDNKFZ-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001478918507 1079025681 /nfs/dbraw/zinc/02/56/81/1079025681.db2.gz FXSWMXWXCDNKFZ-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001478918507 1079025689 /nfs/dbraw/zinc/02/56/89/1079025689.db2.gz FXSWMXWXCDNKFZ-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001479002074 1079059543 /nfs/dbraw/zinc/05/95/43/1079059543.db2.gz XTRFKNWRJFZVEU-UNMCSNQZSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001479002074 1079059551 /nfs/dbraw/zinc/05/95/51/1079059551.db2.gz XTRFKNWRJFZVEU-UNMCSNQZSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001479002074 1079059557 /nfs/dbraw/zinc/05/95/57/1079059557.db2.gz XTRFKNWRJFZVEU-UNMCSNQZSA-N 2 1 390.616 3.737 20 0 GHADMP CC1(C)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC(C)(C)[NH2+]1 ZINC001472410022 1073472993 /nfs/dbraw/zinc/47/29/93/1073472993.db2.gz WXFMACLWMVIPLD-SFHVURJKSA-N 2 1 393.522 3.523 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[NH+](C)Cc1ccccc1 ZINC001472509814 1073522183 /nfs/dbraw/zinc/52/21/83/1073522183.db2.gz YWKXSYVSJJQUKQ-XXBNENTESA-N 2 1 379.548 3.746 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@H+](C)Cc1ccccc1 ZINC001472509814 1073522193 /nfs/dbraw/zinc/52/21/93/1073522193.db2.gz YWKXSYVSJJQUKQ-XXBNENTESA-N 2 1 379.548 3.746 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@@H+](C)Cc1ccccc1 ZINC001472509814 1073522194 /nfs/dbraw/zinc/52/21/94/1073522194.db2.gz YWKXSYVSJJQUKQ-XXBNENTESA-N 2 1 379.548 3.746 20 0 GHADMP CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001473169726 1073828419 /nfs/dbraw/zinc/82/84/19/1073828419.db2.gz FLPCKFVSUWESME-SLFFLAALSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001473169726 1073828434 /nfs/dbraw/zinc/82/84/34/1073828434.db2.gz FLPCKFVSUWESME-SLFFLAALSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001473169726 1073828440 /nfs/dbraw/zinc/82/84/40/1073828440.db2.gz FLPCKFVSUWESME-SLFFLAALSA-N 2 1 392.609 3.735 20 0 GHADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001473169726 1073828451 /nfs/dbraw/zinc/82/84/51/1073828451.db2.gz FLPCKFVSUWESME-SLFFLAALSA-N 2 1 392.609 3.735 20 0 GHADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001473273569 1073902060 /nfs/dbraw/zinc/90/20/60/1073902060.db2.gz QFQGHZVMJAUPED-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[C@@H](C)[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001473273569 1073902064 /nfs/dbraw/zinc/90/20/64/1073902064.db2.gz QFQGHZVMJAUPED-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CCC[C@@H](C)[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001473273569 1073902068 /nfs/dbraw/zinc/90/20/68/1073902068.db2.gz QFQGHZVMJAUPED-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CC(=O)OC1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001473282144 1073904512 /nfs/dbraw/zinc/90/45/12/1073904512.db2.gz GQKJDMLUZAKDJQ-QHCPKHFHSA-N 2 1 380.532 3.930 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC001473285680 1073906106 /nfs/dbraw/zinc/90/61/06/1073906106.db2.gz QPLNPECHURYWBO-GOSISDBHSA-N 2 1 383.374 3.504 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(c2cccc(Br)c2)CC1 ZINC001473285680 1073906108 /nfs/dbraw/zinc/90/61/08/1073906108.db2.gz QPLNPECHURYWBO-GOSISDBHSA-N 2 1 383.374 3.504 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001473716366 1074104318 /nfs/dbraw/zinc/10/43/18/1074104318.db2.gz FYCBIHKAUKFIKT-DEOSSOPVSA-N 2 1 385.596 3.605 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001473806650 1074152976 /nfs/dbraw/zinc/15/29/76/1074152976.db2.gz ABVRRQAMCAOTRR-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001473806650 1074152979 /nfs/dbraw/zinc/15/29/79/1074152979.db2.gz ABVRRQAMCAOTRR-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001473806650 1074152984 /nfs/dbraw/zinc/15/29/84/1074152984.db2.gz ABVRRQAMCAOTRR-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807498 1074153612 /nfs/dbraw/zinc/15/36/12/1074153612.db2.gz PCYXBIQCRZRKKO-FUMNGEBKSA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807498 1074153614 /nfs/dbraw/zinc/15/36/14/1074153614.db2.gz PCYXBIQCRZRKKO-FUMNGEBKSA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807498 1074153615 /nfs/dbraw/zinc/15/36/15/1074153615.db2.gz PCYXBIQCRZRKKO-FUMNGEBKSA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807498 1074153616 /nfs/dbraw/zinc/15/36/16/1074153616.db2.gz PCYXBIQCRZRKKO-FUMNGEBKSA-N 2 1 382.470 3.940 20 0 GHADMP CCC(CC)[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+](C)C ZINC001473926147 1074206393 /nfs/dbraw/zinc/20/63/93/1074206393.db2.gz SGMJIDPCWCKYEK-HUUCEWRRSA-N 2 1 383.499 3.788 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)C1 ZINC001473932270 1074208889 /nfs/dbraw/zinc/20/88/89/1074208889.db2.gz YGHJVVBOLHJSPS-AWEZNQCLSA-N 2 1 377.330 3.694 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)C1 ZINC001473932270 1074208891 /nfs/dbraw/zinc/20/88/91/1074208891.db2.gz YGHJVVBOLHJSPS-AWEZNQCLSA-N 2 1 377.330 3.694 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C)nc3c2CCCC3)CC1 ZINC001473936165 1074210201 /nfs/dbraw/zinc/21/02/01/1074210201.db2.gz MGOILYXFCZAJDN-UHFFFAOYSA-N 2 1 392.591 3.696 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001474646312 1074497455 /nfs/dbraw/zinc/49/74/55/1074497455.db2.gz YGFSBPAHTFDQTQ-CEXWTWQISA-N 2 1 377.573 3.534 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OCc1ccccc1 ZINC001474757141 1074547365 /nfs/dbraw/zinc/54/73/65/1074547365.db2.gz HZCQGLALFVZJRU-FYYLOGMGSA-N 2 1 393.531 3.871 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OCc1ccccc1 ZINC001474757141 1074547369 /nfs/dbraw/zinc/54/73/69/1074547369.db2.gz HZCQGLALFVZJRU-FYYLOGMGSA-N 2 1 393.531 3.871 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1 ZINC000821188561 599643683 /nfs/dbraw/zinc/64/36/83/599643683.db2.gz AIEJOJLKSLEBOI-IBGZPJMESA-N 2 1 390.535 3.697 20 0 GHADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164637221 719237888 /nfs/dbraw/zinc/23/78/88/719237888.db2.gz UTLAUXSWXLMBOM-HOTGVXAUSA-N 2 1 399.608 3.695 20 0 GHADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164637221 719237890 /nfs/dbraw/zinc/23/78/90/719237890.db2.gz UTLAUXSWXLMBOM-HOTGVXAUSA-N 2 1 399.608 3.695 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ncnc3c2CC[NH2+]CC3)C(C)C)nc1 ZINC001164663183 719344813 /nfs/dbraw/zinc/34/48/13/719344813.db2.gz VSPZXASFFGYNNG-OAQYLSRUSA-N 2 1 394.567 3.653 20 0 GHADMP COc1ccc2c(c1)nc(Cl)cc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681238 719621144 /nfs/dbraw/zinc/62/11/44/719621144.db2.gz DYVZPHKJUYFKNO-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP COc1ccc2c(c1)nc(Cl)cc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681238 719621149 /nfs/dbraw/zinc/62/11/49/719621149.db2.gz DYVZPHKJUYFKNO-UHFFFAOYSA-N 2 1 399.926 3.568 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164695716 719888930 /nfs/dbraw/zinc/88/89/30/719888930.db2.gz SIVMHPZZMZSMQL-UHFFFAOYSA-N 2 1 382.533 3.506 20 0 GHADMP COc1ccc2c(cc[nH+]c2N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164857844 720938739 /nfs/dbraw/zinc/93/87/39/720938739.db2.gz HMNXFMSEIXBOMY-MRXNPFEDSA-N 2 1 379.508 3.861 20 0 GHADMP COc1ccc2c(cc[nH+]c2N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164857844 720938749 /nfs/dbraw/zinc/93/87/49/720938749.db2.gz HMNXFMSEIXBOMY-MRXNPFEDSA-N 2 1 379.508 3.861 20 0 GHADMP COc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c2ccccc21 ZINC001164864160 720983071 /nfs/dbraw/zinc/98/30/71/720983071.db2.gz YKJPUGSUCHEHMA-MRXNPFEDSA-N 2 1 379.508 3.861 20 0 GHADMP COc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c2ccccc21 ZINC001164864160 720983094 /nfs/dbraw/zinc/98/30/94/720983094.db2.gz YKJPUGSUCHEHMA-MRXNPFEDSA-N 2 1 379.508 3.861 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC(C[NH+](C)C)CC2)n1 ZINC001165045413 721948975 /nfs/dbraw/zinc/94/89/75/721948975.db2.gz SBCGGWIGEDBQCS-UHFFFAOYSA-N 2 1 389.613 3.928 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC12CCOCC2 ZINC000647545484 837480435 /nfs/dbraw/zinc/48/04/35/837480435.db2.gz SUGZCJNFSCNTAP-QGZVFWFLSA-N 2 1 378.944 3.849 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC12CCOCC2 ZINC000647545484 837480444 /nfs/dbraw/zinc/48/04/44/837480444.db2.gz SUGZCJNFSCNTAP-QGZVFWFLSA-N 2 1 378.944 3.849 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000471389510 837500318 /nfs/dbraw/zinc/50/03/18/837500318.db2.gz VEWNFUSNOMXIOI-FQEVSTJZSA-N 2 1 391.559 3.777 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655691715 837674704 /nfs/dbraw/zinc/67/47/04/837674704.db2.gz GKNIXKJOYLVMPW-TYBLODHISA-N 2 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691715 837674714 /nfs/dbraw/zinc/67/47/14/837674714.db2.gz GKNIXKJOYLVMPW-TYBLODHISA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691715 837674721 /nfs/dbraw/zinc/67/47/21/837674721.db2.gz GKNIXKJOYLVMPW-TYBLODHISA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691715 837674724 /nfs/dbraw/zinc/67/47/24/837674724.db2.gz GKNIXKJOYLVMPW-TYBLODHISA-N 2 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691715 837674731 /nfs/dbraw/zinc/67/47/31/837674731.db2.gz GKNIXKJOYLVMPW-TYBLODHISA-N 2 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)cc2)C1 ZINC000655692767 837676715 /nfs/dbraw/zinc/67/67/15/837676715.db2.gz UGFCKACOSBTAHD-JXALWOEJSA-N 3 1 385.596 3.507 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)C1 ZINC000655692767 837676718 /nfs/dbraw/zinc/67/67/18/837676718.db2.gz UGFCKACOSBTAHD-JXALWOEJSA-N 3 1 385.596 3.507 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)C1 ZINC000655692767 837676727 /nfs/dbraw/zinc/67/67/27/837676727.db2.gz UGFCKACOSBTAHD-JXALWOEJSA-N 3 1 385.596 3.507 20 0 GHADMP Cc1nc(-c2ccc(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)s2)cs1 ZINC000655695623 837685592 /nfs/dbraw/zinc/68/55/92/837685592.db2.gz OMALQCGXJRAOOK-KRWDZBQOSA-N 2 1 391.606 3.956 20 0 GHADMP C[C@@H](NC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000510284936 837693735 /nfs/dbraw/zinc/69/37/35/837693735.db2.gz BBQCIROCIUTJBV-SBHAEUEKSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Sc1ccc(Br)cc1 ZINC000655727054 837746766 /nfs/dbraw/zinc/74/67/66/837746766.db2.gz IKCYAQLSBYFASB-RHSMWYFYSA-N 2 1 399.398 3.773 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C[N@H+]1Cc1ccccc1 ZINC000655736136 837776546 /nfs/dbraw/zinc/77/65/46/837776546.db2.gz CEUBSHPEBISKOP-SFLYRZDNSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000655736136 837776554 /nfs/dbraw/zinc/77/65/54/837776554.db2.gz CEUBSHPEBISKOP-SFLYRZDNSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[N@H+]1Cc1ccccc1 ZINC000655736136 837776561 /nfs/dbraw/zinc/77/65/61/837776561.db2.gz CEUBSHPEBISKOP-SFLYRZDNSA-N 3 1 385.596 3.520 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OCC ZINC000650708408 834554260 /nfs/dbraw/zinc/55/42/60/834554260.db2.gz ZEBBGDAUKAMMRE-TUNNFDKTSA-N 2 1 390.568 3.983 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879898 834622133 /nfs/dbraw/zinc/62/21/33/834622133.db2.gz JVWPOBMLWSPGGE-XQBPLPMBSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879898 834622138 /nfs/dbraw/zinc/62/21/38/834622138.db2.gz JVWPOBMLWSPGGE-XQBPLPMBSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643545731 834657722 /nfs/dbraw/zinc/65/77/22/834657722.db2.gz BIERRELMBKCVRO-WMZOPIPTSA-N 2 1 376.566 3.728 20 0 GHADMP COc1cc2ccc([C@@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)cc2cc1OC ZINC000657869931 834766844 /nfs/dbraw/zinc/76/68/44/834766844.db2.gz ANPJLQZVWKNJRS-GOSISDBHSA-N 2 1 385.552 3.535 20 0 GHADMP CCN(c1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1)C(C)C ZINC000728572298 834774201 /nfs/dbraw/zinc/77/42/01/834774201.db2.gz XGTYUQRSOQAQKG-UHFFFAOYSA-N 2 1 388.600 3.912 20 0 GHADMP CCN(c1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1)C(C)C ZINC000728572298 834774206 /nfs/dbraw/zinc/77/42/06/834774206.db2.gz XGTYUQRSOQAQKG-UHFFFAOYSA-N 2 1 388.600 3.912 20 0 GHADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375767945 834870705 /nfs/dbraw/zinc/87/07/05/834870705.db2.gz KVIJLGWUTVKWRJ-APWZRJJASA-N 2 1 380.458 3.920 20 0 GHADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000375767945 834870718 /nfs/dbraw/zinc/87/07/18/834870718.db2.gz KVIJLGWUTVKWRJ-APWZRJJASA-N 2 1 380.458 3.920 20 0 GHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000657881524 834888033 /nfs/dbraw/zinc/88/80/33/834888033.db2.gz SZWWBCQCLXWLQL-OALUTQOASA-N 2 1 383.374 3.597 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1)CC1CC1 ZINC000654980975 834900541 /nfs/dbraw/zinc/90/05/41/834900541.db2.gz CBHOUGKMJJJYFL-UHFFFAOYSA-N 2 1 385.596 3.765 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000654983125 834910050 /nfs/dbraw/zinc/91/00/50/834910050.db2.gz VSPFUZNJGQGRAL-RUZDIDTESA-N 2 1 397.607 3.593 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431567112 834924926 /nfs/dbraw/zinc/92/49/26/834924926.db2.gz XFOFKFILCNNUQA-OALUTQOASA-N 2 1 375.582 3.798 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457289 835022934 /nfs/dbraw/zinc/02/29/34/835022934.db2.gz UIJBMXVADUDJFG-XMMPIXPASA-N 2 1 393.575 3.963 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457289 835022943 /nfs/dbraw/zinc/02/29/43/835022943.db2.gz UIJBMXVADUDJFG-XMMPIXPASA-N 2 1 393.575 3.963 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715169 835159478 /nfs/dbraw/zinc/15/94/78/835159478.db2.gz WYRWHXNUDFVHNV-REWPJTCUSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715169 835159481 /nfs/dbraw/zinc/15/94/81/835159481.db2.gz WYRWHXNUDFVHNV-REWPJTCUSA-N 2 1 379.548 3.841 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000430217904 835212799 /nfs/dbraw/zinc/21/27/99/835212799.db2.gz LYVVNRYVLKOOJC-UNWVZKJWSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000430217904 835212804 /nfs/dbraw/zinc/21/28/04/835212804.db2.gz LYVVNRYVLKOOJC-UNWVZKJWSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000430217904 835212812 /nfs/dbraw/zinc/21/28/12/835212812.db2.gz LYVVNRYVLKOOJC-UNWVZKJWSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511246153 835227708 /nfs/dbraw/zinc/22/77/08/835227708.db2.gz BSBAYSCANGALIA-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511246153 835227713 /nfs/dbraw/zinc/22/77/13/835227713.db2.gz BSBAYSCANGALIA-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246153 835227719 /nfs/dbraw/zinc/22/77/19/835227719.db2.gz BSBAYSCANGALIA-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246153 835227724 /nfs/dbraw/zinc/22/77/24/835227724.db2.gz BSBAYSCANGALIA-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657970502 835327080 /nfs/dbraw/zinc/32/70/80/835327080.db2.gz FAVSLVXQDVVIGY-NAVOZUGXSA-N 2 1 386.580 3.708 20 0 GHADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000375596442 835397700 /nfs/dbraw/zinc/39/77/00/835397700.db2.gz IBIONALBIVDUAU-FUHIMQAGSA-N 2 1 383.502 3.767 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)cc2)C1 ZINC000658135866 835443828 /nfs/dbraw/zinc/44/38/28/835443828.db2.gz FPTZHUWFLPVTLZ-QTJGBDASSA-N 2 1 380.532 3.511 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658141305 835452951 /nfs/dbraw/zinc/45/29/51/835452951.db2.gz WQDYATRYTGLEGP-BROLKAIQSA-N 2 1 380.532 3.544 20 0 GHADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)oc21 ZINC000658142461 835453749 /nfs/dbraw/zinc/45/37/49/835453749.db2.gz YKDCISOFYXIXCJ-UZLBHIALSA-N 2 1 380.488 3.859 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657819488 835466474 /nfs/dbraw/zinc/46/64/74/835466474.db2.gz WSGDLJDSCHZDBN-RHSMWYFYSA-N 2 1 380.508 3.720 20 0 GHADMP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000584054392 835524395 /nfs/dbraw/zinc/52/43/95/835524395.db2.gz WOUNULAOFDMIEH-UHFFFAOYSA-N 2 1 386.367 3.839 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278673358 835760202 /nfs/dbraw/zinc/76/02/02/835760202.db2.gz UCUXIXXZIQABME-MOPGFXCFSA-N 2 1 375.557 3.618 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278673358 835760206 /nfs/dbraw/zinc/76/02/06/835760206.db2.gz UCUXIXXZIQABME-MOPGFXCFSA-N 2 1 375.557 3.618 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC(F)F ZINC000092587320 844121453 /nfs/dbraw/zinc/12/14/53/844121453.db2.gz PFGUUPXJSIGKBN-IYBDPMFKSA-N 2 1 398.494 3.618 20 0 GHADMP COc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc(Cl)c1OC ZINC000092587231 844121619 /nfs/dbraw/zinc/12/16/19/844121619.db2.gz RYZNLOMZMDBCTI-HOTGVXAUSA-N 2 1 396.959 3.678 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(N2CCCC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483719 844154882 /nfs/dbraw/zinc/15/48/82/844154882.db2.gz WFHZNZFAIKBUIO-UGKGYDQZSA-N 2 1 377.532 3.814 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC000174037013 836358192 /nfs/dbraw/zinc/35/81/92/836358192.db2.gz KVDNMTPCFREKSV-XMMPIXPASA-N 2 1 391.559 3.775 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC000174037013 836358200 /nfs/dbraw/zinc/35/82/00/836358200.db2.gz KVDNMTPCFREKSV-XMMPIXPASA-N 2 1 391.559 3.775 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178133241 836381318 /nfs/dbraw/zinc/38/13/18/836381318.db2.gz POEHSWCWWLJNNP-IBGZPJMESA-N 2 1 379.548 3.610 20 0 GHADMP C[C@H]1C[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000570165730 836482554 /nfs/dbraw/zinc/48/25/54/836482554.db2.gz AGEIQBWVODSHSP-CVDCTZTESA-N 2 1 391.559 3.622 20 0 GHADMP CC[C@H](C)C[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431676671 836693414 /nfs/dbraw/zinc/69/34/14/836693414.db2.gz RUMDSAAWVSUYQQ-OALUTQOASA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093844526 844203833 /nfs/dbraw/zinc/20/38/33/844203833.db2.gz PGUBOLSRDHYPRG-LJQANCHMSA-N 2 1 381.568 3.959 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175619277 836920586 /nfs/dbraw/zinc/92/05/86/836920586.db2.gz QWZOTQDNQJMNKS-KNQAVFIVSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000175645234 836925141 /nfs/dbraw/zinc/92/51/41/836925141.db2.gz LCNBIOBWYNEFEP-MZYLBHOOSA-N 2 1 398.595 3.699 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc4c(c3)OCCO4)CCCC2)s1 ZINC000510247201 836968405 /nfs/dbraw/zinc/96/84/05/836968405.db2.gz ZJZKOSSRDFVRTE-UHFFFAOYSA-N 2 1 387.549 3.578 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000512543714 844231657 /nfs/dbraw/zinc/23/16/57/844231657.db2.gz AZWJRTILEHVUJE-UNWVZKJWSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000512543714 844231665 /nfs/dbraw/zinc/23/16/65/844231665.db2.gz AZWJRTILEHVUJE-UNWVZKJWSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828132 837168922 /nfs/dbraw/zinc/16/89/22/837168922.db2.gz HQJUGZMXOCLZOH-NZQKXSOJSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H](NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828132 837168928 /nfs/dbraw/zinc/16/89/28/837168928.db2.gz HQJUGZMXOCLZOH-NZQKXSOJSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@H](NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828132 837168933 /nfs/dbraw/zinc/16/89/33/837168933.db2.gz HQJUGZMXOCLZOH-NZQKXSOJSA-N 2 1 381.564 3.627 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275557347 837226753 /nfs/dbraw/zinc/22/67/53/837226753.db2.gz APVXVSOUUNPBSU-OAQYLSRUSA-N 2 1 394.563 3.777 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000644190348 837351417 /nfs/dbraw/zinc/35/14/17/837351417.db2.gz XYBLSRHTCNHVHW-YMPZKCBVSA-N 2 1 392.547 3.876 20 0 GHADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177492823 837990604 /nfs/dbraw/zinc/99/06/04/837990604.db2.gz WUDGCFWSXSQURV-AQNXPRMDSA-N 2 1 387.568 3.533 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579953559 838015541 /nfs/dbraw/zinc/01/55/41/838015541.db2.gz SAJRRKRYEWEKSL-UPJWGTAASA-N 2 1 389.849 3.617 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431852349 838023267 /nfs/dbraw/zinc/02/32/67/838023267.db2.gz WNQRTMDUWWBHIE-UNWVZKJWSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000431852349 838023273 /nfs/dbraw/zinc/02/32/73/838023273.db2.gz WNQRTMDUWWBHIE-UNWVZKJWSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000431852349 838023285 /nfs/dbraw/zinc/02/32/85/838023285.db2.gz WNQRTMDUWWBHIE-UNWVZKJWSA-N 2 1 383.580 3.953 20 0 GHADMP O=C(CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1cccc(F)c1 ZINC000535679334 844284640 /nfs/dbraw/zinc/28/46/40/844284640.db2.gz GUCDKDYWMMQDOB-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1cccc(F)c1 ZINC000535679334 844284648 /nfs/dbraw/zinc/28/46/48/844284648.db2.gz GUCDKDYWMMQDOB-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1cccc(F)c1 ZINC000535679334 844284655 /nfs/dbraw/zinc/28/46/55/844284655.db2.gz GUCDKDYWMMQDOB-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000535669393 844287879 /nfs/dbraw/zinc/28/78/79/844287879.db2.gz OPCYZWSYXMMOSY-INIZCTEOSA-N 2 1 391.357 3.723 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000415883269 838232139 /nfs/dbraw/zinc/23/21/39/838232139.db2.gz NFBYJHAPWGNTFS-UHFFFAOYSA-N 2 1 392.547 3.505 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000376566242 838248124 /nfs/dbraw/zinc/24/81/24/838248124.db2.gz MPNBNTITXZMHGY-GOSISDBHSA-N 2 1 390.535 3.541 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000376566242 838248131 /nfs/dbraw/zinc/24/81/31/838248131.db2.gz MPNBNTITXZMHGY-GOSISDBHSA-N 2 1 390.535 3.541 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415920805 838271775 /nfs/dbraw/zinc/27/17/75/838271775.db2.gz PNYOTSWDACCHQO-WIYYLYMNSA-N 2 1 380.536 3.828 20 0 GHADMP C[N@@H+](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000415956604 838309416 /nfs/dbraw/zinc/30/94/16/838309416.db2.gz OHMAORSNHJLCEM-UHFFFAOYSA-N 2 1 398.404 3.557 20 0 GHADMP Cn1nc2c(c1C[NH+]1CCC(C[N@@H+](C)Cc3ccccc3)CC1)CSCC2 ZINC000893995287 844321349 /nfs/dbraw/zinc/32/13/49/844321349.db2.gz KFRLRPHDQRAUIC-UHFFFAOYSA-N 2 1 384.593 3.553 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000415995104 838372425 /nfs/dbraw/zinc/37/24/25/838372425.db2.gz JTKUBYVWYZOARE-UHFFFAOYSA-N 2 1 390.531 3.810 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000589605398 838474369 /nfs/dbraw/zinc/47/43/69/838474369.db2.gz AINPXOKYZBWOKE-JOCHJYFZSA-N 2 1 393.575 3.765 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000589605398 838474378 /nfs/dbraw/zinc/47/43/78/838474378.db2.gz AINPXOKYZBWOKE-JOCHJYFZSA-N 2 1 393.575 3.765 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000589605398 838474384 /nfs/dbraw/zinc/47/43/84/838474384.db2.gz AINPXOKYZBWOKE-JOCHJYFZSA-N 2 1 393.575 3.765 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416165226 838659080 /nfs/dbraw/zinc/65/90/80/838659080.db2.gz DWGUZRYMDHVOPH-RTWAWAEBSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416165226 838659084 /nfs/dbraw/zinc/65/90/84/838659084.db2.gz DWGUZRYMDHVOPH-RTWAWAEBSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416165226 838659089 /nfs/dbraw/zinc/65/90/89/838659089.db2.gz DWGUZRYMDHVOPH-RTWAWAEBSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000472956095 838779843 /nfs/dbraw/zinc/77/98/43/838779843.db2.gz DRKNAYYYLOFAFN-PXNSSMCTSA-N 2 1 388.581 3.561 20 0 GHADMP C[NH2+][C@@H](C)Cc1noc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cccc(C)c2)n1 ZINC000580073014 838810590 /nfs/dbraw/zinc/81/05/90/838810590.db2.gz UHKJOBKAJOPFPR-BWAGFHJFSA-N 2 1 390.531 3.912 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000580118542 838903470 /nfs/dbraw/zinc/90/34/70/838903470.db2.gz GSMDQWVGVYFFMA-UXHICEINSA-N 2 1 375.582 3.534 20 0 GHADMP CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358252 838935015 /nfs/dbraw/zinc/93/50/15/838935015.db2.gz XVJXZYOSDWIWEK-NHCUHLMSSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@@H](C)[C@@H](C)[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358252 838935026 /nfs/dbraw/zinc/93/50/26/838935026.db2.gz XVJXZYOSDWIWEK-NHCUHLMSSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@@H](C)[C@@H](C)[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358252 838935035 /nfs/dbraw/zinc/93/50/35/838935035.db2.gz XVJXZYOSDWIWEK-NHCUHLMSSA-N 2 1 385.596 3.928 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000549829490 844397390 /nfs/dbraw/zinc/39/73/90/844397390.db2.gz MATPCCIEQBRYHF-UHFFFAOYSA-N 2 1 386.584 3.510 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163918 839105742 /nfs/dbraw/zinc/10/57/42/839105742.db2.gz AMURWJHHYJSXDX-GMAHTHKFSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549163918 839105746 /nfs/dbraw/zinc/10/57/46/839105746.db2.gz AMURWJHHYJSXDX-GMAHTHKFSA-N 2 1 382.548 3.625 20 0 GHADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3([NH3+])CCN(Cc4ccccc4)CC3)CC2)C1 ZINC000415125364 839246958 /nfs/dbraw/zinc/24/69/58/839246958.db2.gz DOZFQZPHIZDJEX-XUZZJYLKSA-N 2 1 398.639 3.613 20 0 GHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1F ZINC000580298158 839302810 /nfs/dbraw/zinc/30/28/10/839302810.db2.gz PBBPZOMMJDTCGV-UXHICEINSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1F ZINC000580298158 839302827 /nfs/dbraw/zinc/30/28/27/839302827.db2.gz PBBPZOMMJDTCGV-UXHICEINSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1F ZINC000580298158 839302840 /nfs/dbraw/zinc/30/28/40/839302840.db2.gz PBBPZOMMJDTCGV-UXHICEINSA-N 2 1 381.495 3.608 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000580696680 840026673 /nfs/dbraw/zinc/02/66/73/840026673.db2.gz DSRGHPDDRPTPEH-VSKRKVRLSA-N 2 1 378.520 3.573 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000652050289 840098612 /nfs/dbraw/zinc/09/86/12/840098612.db2.gz AFAJLIOHIHKZKM-PZJWPPBQSA-N 2 1 377.532 3.550 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000652050289 840098625 /nfs/dbraw/zinc/09/86/25/840098625.db2.gz AFAJLIOHIHKZKM-PZJWPPBQSA-N 2 1 377.532 3.550 20 0 GHADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000180936835 844516004 /nfs/dbraw/zinc/51/60/04/844516004.db2.gz ZEAWODAFCPLKDC-HNNXBMFYSA-N 2 1 381.442 3.691 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1OCc1ccccc1 ZINC000535809329 844512037 /nfs/dbraw/zinc/51/20/37/844512037.db2.gz RODGZZKXHBAYNK-AKFKNWHVSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1OCc1ccccc1 ZINC000535809329 844512050 /nfs/dbraw/zinc/51/20/50/844512050.db2.gz RODGZZKXHBAYNK-AKFKNWHVSA-N 2 1 380.532 3.949 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000535810565 844513900 /nfs/dbraw/zinc/51/39/00/844513900.db2.gz QMVWYPSHRYBFRD-RCZVLFRGSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000535810565 844513908 /nfs/dbraw/zinc/51/39/08/844513908.db2.gz QMVWYPSHRYBFRD-RCZVLFRGSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000535810565 844513914 /nfs/dbraw/zinc/51/39/14/844513914.db2.gz QMVWYPSHRYBFRD-RCZVLFRGSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000535810565 844513922 /nfs/dbraw/zinc/51/39/22/844513922.db2.gz QMVWYPSHRYBFRD-RCZVLFRGSA-N 2 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000535810565 844513926 /nfs/dbraw/zinc/51/39/26/844513926.db2.gz QMVWYPSHRYBFRD-RCZVLFRGSA-N 2 1 396.623 3.667 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2)CC1 ZINC000458245042 844516813 /nfs/dbraw/zinc/51/68/13/844516813.db2.gz DZAXLGWTZGQTIW-DEOSSOPVSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000510353242 840231435 /nfs/dbraw/zinc/23/14/35/840231435.db2.gz HCNPVLUVIMRAJN-FQEVSTJZSA-N 2 1 398.595 3.831 20 0 GHADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000416974265 840330571 /nfs/dbraw/zinc/33/05/71/840330571.db2.gz WNDNWXKCDFAIDB-QFIPXVFZSA-N 2 1 382.552 3.588 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc2)C1 ZINC000416974082 840330717 /nfs/dbraw/zinc/33/07/17/840330717.db2.gz WEHCHHUUDZYUMN-AUSIDOKSSA-N 2 1 398.595 3.592 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417227293 840607876 /nfs/dbraw/zinc/60/78/76/840607876.db2.gz VBLYHSKAEVIMSN-LJQANCHMSA-N 2 1 386.584 3.640 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000187284690 840641821 /nfs/dbraw/zinc/64/18/21/840641821.db2.gz PFBZOHAJHNWQSW-PGRDOPGGSA-N 2 1 377.532 3.738 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000187284690 840641830 /nfs/dbraw/zinc/64/18/30/840641830.db2.gz PFBZOHAJHNWQSW-PGRDOPGGSA-N 2 1 377.532 3.738 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)sc1Br ZINC000511765589 840688141 /nfs/dbraw/zinc/68/81/41/840688141.db2.gz SZINRUUPOXNEJQ-ZIAGYGMSSA-N 2 1 375.376 3.971 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)sc1Br ZINC000511765589 840688145 /nfs/dbraw/zinc/68/81/45/840688145.db2.gz SZINRUUPOXNEJQ-ZIAGYGMSSA-N 2 1 375.376 3.971 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000543870857 840796886 /nfs/dbraw/zinc/79/68/86/840796886.db2.gz HPELGUOGKNUDHA-MRXNPFEDSA-N 2 1 380.964 3.896 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1(O)CCOCC1 ZINC000417375047 840803503 /nfs/dbraw/zinc/80/35/03/840803503.db2.gz BHEKWCFVRAGFIR-BDTNDASRSA-N 2 1 386.580 3.587 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000509908047 844580754 /nfs/dbraw/zinc/58/07/54/844580754.db2.gz GZVMYBRHMFSVAX-LTGZKZEYSA-N 2 1 393.575 3.774 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc(C[NH3+])cc3F)cc2)C1 ZINC000652125490 840891703 /nfs/dbraw/zinc/89/17/03/840891703.db2.gz VHYHPDOAUMRYDO-QGZVFWFLSA-N 2 1 398.526 3.516 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000581372524 841183834 /nfs/dbraw/zinc/18/38/34/841183834.db2.gz LRWNPWSTNMORCP-IBGZPJMESA-N 2 1 379.548 3.753 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000390315850 841262723 /nfs/dbraw/zinc/26/27/23/841262723.db2.gz WQGREIAJBBGMOI-AWEZNQCLSA-N 2 1 383.330 3.574 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000390315850 841262730 /nfs/dbraw/zinc/26/27/30/841262730.db2.gz WQGREIAJBBGMOI-AWEZNQCLSA-N 2 1 383.330 3.574 20 0 GHADMP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500098629 841428976 /nfs/dbraw/zinc/42/89/76/841428976.db2.gz QQIBFXKQTSEDAF-PXNSSMCTSA-N 2 1 383.502 3.911 20 0 GHADMP [NH3+]CC1(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCCC1 ZINC000662714379 841460969 /nfs/dbraw/zinc/46/09/69/841460969.db2.gz HLJVYNDHBJVRBZ-NRFANRHFSA-N 2 1 383.580 3.704 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000613799659 841849877 /nfs/dbraw/zinc/84/98/77/841849877.db2.gz RMAZTRBDYIAVQI-UHFFFAOYSA-N 2 1 376.504 3.512 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000613799659 841849883 /nfs/dbraw/zinc/84/98/83/841849883.db2.gz RMAZTRBDYIAVQI-UHFFFAOYSA-N 2 1 376.504 3.512 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000510447798 841989252 /nfs/dbraw/zinc/98/92/52/841989252.db2.gz ZAKDANQGGLMDAW-OALUTQOASA-N 2 1 390.572 3.649 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001167823200 841995451 /nfs/dbraw/zinc/99/54/51/841995451.db2.gz BWSXZVHRZPGNIH-MLDBQTBOSA-N 2 1 389.584 3.588 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)Cc2cn(CC3CC3)nc21 ZINC001167823401 842002621 /nfs/dbraw/zinc/00/26/21/842002621.db2.gz KYVGRROIIFEEHW-WIYYLYMNSA-N 2 1 376.589 3.739 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 ZINC001167824281 842019666 /nfs/dbraw/zinc/01/96/66/842019666.db2.gz GLAJNZNXGCQWNG-TUACAJSNSA-N 2 1 385.596 3.761 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC001167828124 842105130 /nfs/dbraw/zinc/10/51/30/842105130.db2.gz WLUCJQAREOYMSI-LAUBAEHRSA-N 2 1 377.598 3.996 20 0 GHADMP C[NH+](C)CCOc1ccc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000684412432 842135020 /nfs/dbraw/zinc/13/50/20/842135020.db2.gz KVYDXJNSEOXRSL-UHFFFAOYSA-N 2 1 399.501 3.522 20 0 GHADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OCc1ccccc1 ZINC000432360150 842175278 /nfs/dbraw/zinc/17/52/78/842175278.db2.gz UPIQTPPWJXNHCF-FQEVSTJZSA-N 2 1 398.547 3.865 20 0 GHADMP CCN(C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000663560735 842183170 /nfs/dbraw/zinc/18/31/70/842183170.db2.gz AQXBBXOPPMQNIF-JOCHJYFZSA-N 2 1 394.563 3.651 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)sc1Br ZINC000512029475 842199390 /nfs/dbraw/zinc/19/93/90/842199390.db2.gz CLLRDUYCKAKXQQ-ZIAGYGMSSA-N 2 1 375.376 3.707 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)sc1Br ZINC000512029474 842199597 /nfs/dbraw/zinc/19/95/97/842199597.db2.gz CLLRDUYCKAKXQQ-UONOGXRCSA-N 2 1 375.376 3.707 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c3cccnc23)CCCO1 ZINC000432363023 842235854 /nfs/dbraw/zinc/23/58/54/842235854.db2.gz RNARUGXGBXGCTL-OAHLLOKOSA-N 2 1 392.341 3.588 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)C1 ZINC000652349272 842328816 /nfs/dbraw/zinc/32/88/16/842328816.db2.gz IXOVPVKFALYWCW-PMUMKWKESA-N 2 1 393.503 3.807 20 0 GHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)c(OC)c1 ZINC000652355212 842354353 /nfs/dbraw/zinc/35/43/53/842354353.db2.gz RDTGVHATJNZSBE-KBXCAEBGSA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)c(OC)c1 ZINC000652355212 842354365 /nfs/dbraw/zinc/35/43/65/842354365.db2.gz RDTGVHATJNZSBE-KBXCAEBGSA-N 2 1 375.538 3.777 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000511909274 842377803 /nfs/dbraw/zinc/37/78/03/842377803.db2.gz IHBSUYOFUFZANW-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000511909274 842377814 /nfs/dbraw/zinc/37/78/14/842377814.db2.gz IHBSUYOFUFZANW-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000511909274 842377825 /nfs/dbraw/zinc/37/78/25/842377825.db2.gz IHBSUYOFUFZANW-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887541 842463768 /nfs/dbraw/zinc/46/37/68/842463768.db2.gz UUKBJDANKZWMRZ-QUCCMNQESA-N 2 1 376.541 3.553 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887541 842463774 /nfs/dbraw/zinc/46/37/74/842463774.db2.gz UUKBJDANKZWMRZ-QUCCMNQESA-N 2 1 376.541 3.553 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887541 842463779 /nfs/dbraw/zinc/46/37/79/842463779.db2.gz UUKBJDANKZWMRZ-QUCCMNQESA-N 2 1 376.541 3.553 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512116814 842546206 /nfs/dbraw/zinc/54/62/06/842546206.db2.gz PVSUEWOOKIQNSO-HDICACEKSA-N 2 1 386.609 3.972 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512116814 842546213 /nfs/dbraw/zinc/54/62/13/842546213.db2.gz PVSUEWOOKIQNSO-HDICACEKSA-N 2 1 386.609 3.972 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1OC ZINC000474893571 861326151 /nfs/dbraw/zinc/32/61/51/861326151.db2.gz YEYDZVUCBBNYHZ-RTBURBONSA-N 2 1 390.568 3.821 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000247237587 842658080 /nfs/dbraw/zinc/65/80/80/842658080.db2.gz YZMJBJGRRXHBEM-STZQEDGTSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000247237587 842658093 /nfs/dbraw/zinc/65/80/93/842658093.db2.gz YZMJBJGRRXHBEM-STZQEDGTSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000247237587 842658102 /nfs/dbraw/zinc/65/81/02/842658102.db2.gz YZMJBJGRRXHBEM-STZQEDGTSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000247237587 842658117 /nfs/dbraw/zinc/65/81/17/842658117.db2.gz YZMJBJGRRXHBEM-STZQEDGTSA-N 2 1 386.511 3.550 20 0 GHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC000581953410 842799684 /nfs/dbraw/zinc/79/96/84/842799684.db2.gz OBMRJBDSQWENJL-GHTZIAJQSA-N 2 1 379.504 3.532 20 0 GHADMP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@H]([NH3+])c1ccccc1 ZINC000430702903 842814527 /nfs/dbraw/zinc/81/45/27/842814527.db2.gz DCRAGWAFZCNQPL-OPHFCASCSA-N 2 1 391.559 3.837 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000430730857 842896313 /nfs/dbraw/zinc/89/63/13/842896313.db2.gz TXGXHOJHDOKAFW-KOMQPUFPSA-N 2 1 385.321 3.535 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2)Nc1ccccc1 ZINC000662251154 843011005 /nfs/dbraw/zinc/01/10/05/843011005.db2.gz AEJJNBWFWRRPTN-NRFANRHFSA-N 2 1 378.520 3.509 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296014 843092641 /nfs/dbraw/zinc/09/26/41/843092641.db2.gz XGBSTLZTNWWCSH-QAPCUYQASA-N 2 1 397.519 3.674 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296014 843092649 /nfs/dbraw/zinc/09/26/49/843092649.db2.gz XGBSTLZTNWWCSH-QAPCUYQASA-N 2 1 397.519 3.674 20 0 GHADMP C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313268 843133320 /nfs/dbraw/zinc/13/33/20/843133320.db2.gz INSRSLYCDBZDOA-JUXOCIIHSA-N 2 1 385.577 3.793 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000512237107 843177175 /nfs/dbraw/zinc/17/71/75/843177175.db2.gz MSEYPDCMBNCLMY-DEOSSOPVSA-N 2 1 393.531 3.622 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512237107 843177185 /nfs/dbraw/zinc/17/71/85/843177185.db2.gz MSEYPDCMBNCLMY-DEOSSOPVSA-N 2 1 393.531 3.622 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000512237107 843177191 /nfs/dbraw/zinc/17/71/91/843177191.db2.gz MSEYPDCMBNCLMY-DEOSSOPVSA-N 2 1 393.531 3.622 20 0 GHADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662382227 843180409 /nfs/dbraw/zinc/18/04/09/843180409.db2.gz HBBSHRWZRSROQI-KRWDZBQOSA-N 2 1 389.952 3.614 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOc3ccccc3Cl)CC2)CC1 ZINC000430945683 843230886 /nfs/dbraw/zinc/23/08/86/843230886.db2.gz YCCPSXNDBHWAGR-UHFFFAOYSA-N 2 1 394.003 3.847 20 0 GHADMP C[N@H+](CCOc1ccccc1Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430945683 843230896 /nfs/dbraw/zinc/23/08/96/843230896.db2.gz YCCPSXNDBHWAGR-UHFFFAOYSA-N 3 1 394.003 3.847 20 0 GHADMP C[N@@H+](CCOc1ccccc1Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430945683 843230905 /nfs/dbraw/zinc/23/09/05/843230905.db2.gz YCCPSXNDBHWAGR-UHFFFAOYSA-N 3 1 394.003 3.847 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000663343922 843248585 /nfs/dbraw/zinc/24/85/85/843248585.db2.gz JZVSXXJWEPLOMY-FQEVSTJZSA-N 2 1 395.547 3.881 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(OCc2cccnc2)c1 ZINC000663343922 843248600 /nfs/dbraw/zinc/24/86/00/843248600.db2.gz JZVSXXJWEPLOMY-FQEVSTJZSA-N 2 1 395.547 3.881 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccccc2OC)CC1 ZINC000512259273 843250001 /nfs/dbraw/zinc/25/00/01/843250001.db2.gz IQUGFAPDLPORQH-IBGZPJMESA-N 2 1 389.584 3.659 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000178703898 861399022 /nfs/dbraw/zinc/39/90/22/861399022.db2.gz HKFULORFOKOJIE-HZPDHXFCSA-N 2 1 376.932 3.508 20 0 GHADMP CN(C(=O)CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663368475 843331913 /nfs/dbraw/zinc/33/19/13/843331913.db2.gz FYTQIKZJHSFTTG-QFIPXVFZSA-N 2 1 391.559 3.931 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000165298137 843357623 /nfs/dbraw/zinc/35/76/23/843357623.db2.gz IJOLCHHKJZWWAY-CTNGQTDRSA-N 2 1 393.531 3.858 20 0 GHADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000510740272 843387478 /nfs/dbraw/zinc/38/74/78/843387478.db2.gz YQGXNIKRUAZFNH-KRWDZBQOSA-N 2 1 385.518 3.890 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000152023180 843403632 /nfs/dbraw/zinc/40/36/32/843403632.db2.gz VYZOZKRFLXVBJA-HOTGVXAUSA-N 2 1 375.488 3.678 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000512349917 843494037 /nfs/dbraw/zinc/49/40/37/843494037.db2.gz CSBDSIOYBYCVQG-NAJSETDRSA-N 2 1 380.532 3.593 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431062717 843525274 /nfs/dbraw/zinc/52/52/74/843525274.db2.gz SQIZMTKGTKWPOJ-GCJKJVERSA-N 2 1 390.531 3.555 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418730574 843578753 /nfs/dbraw/zinc/57/87/53/843578753.db2.gz SNGRXNVQJONXFE-BHIFYINESA-N 2 1 386.584 3.590 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001167821046 843691536 /nfs/dbraw/zinc/69/15/36/843691536.db2.gz AEBOXBSPWGITOW-AVRDEDQJSA-N 2 1 375.532 3.765 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000500670573 843801793 /nfs/dbraw/zinc/80/17/93/843801793.db2.gz WFEPPZSMWLZJMX-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000500670573 843801807 /nfs/dbraw/zinc/80/18/07/843801807.db2.gz WFEPPZSMWLZJMX-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000500670573 843801817 /nfs/dbraw/zinc/80/18/17/843801817.db2.gz WFEPPZSMWLZJMX-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP Cn1nccc1-c1ccccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000512449786 843831807 /nfs/dbraw/zinc/83/18/07/843831807.db2.gz KXUXGMOSBFCFAU-UHFFFAOYSA-N 2 1 375.520 3.831 20 0 GHADMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1cc2ccccc2o1 ZINC000092470571 843834460 /nfs/dbraw/zinc/83/44/60/843834460.db2.gz FHFARTKHQUIZKK-GOSISDBHSA-N 2 1 393.535 3.948 20 0 GHADMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1cc2ccccc2o1 ZINC000092470571 843834472 /nfs/dbraw/zinc/83/44/72/843834472.db2.gz FHFARTKHQUIZKK-GOSISDBHSA-N 2 1 393.535 3.948 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000432797991 843859919 /nfs/dbraw/zinc/85/99/19/843859919.db2.gz HASLYNLYZOZYOW-JOCHJYFZSA-N 2 1 396.531 3.968 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000432797991 843859926 /nfs/dbraw/zinc/85/99/26/843859926.db2.gz HASLYNLYZOZYOW-JOCHJYFZSA-N 2 1 396.531 3.968 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237670118 843965174 /nfs/dbraw/zinc/96/51/74/843965174.db2.gz DLMNORPHLDCPSQ-UHFFFAOYSA-N 2 1 398.378 3.854 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000509762348 843971866 /nfs/dbraw/zinc/97/18/66/843971866.db2.gz MQENJPNVVOZGEZ-CEMLEFRQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000509762348 843971868 /nfs/dbraw/zinc/97/18/68/843971868.db2.gz MQENJPNVVOZGEZ-CEMLEFRQSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000509762348 843971874 /nfs/dbraw/zinc/97/18/74/843971874.db2.gz MQENJPNVVOZGEZ-CEMLEFRQSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@H]3/C=C\c3ccccc3)cn2)CC1 ZINC000535825897 844706647 /nfs/dbraw/zinc/70/66/47/844706647.db2.gz ZBULIXZGJMHDTP-DGVDTQEHSA-N 2 1 391.563 3.686 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@H]3/C=C\c3ccccc3)cn2)CC1 ZINC000535825897 844706652 /nfs/dbraw/zinc/70/66/52/844706652.db2.gz ZBULIXZGJMHDTP-DGVDTQEHSA-N 2 1 391.563 3.686 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000512637507 844848995 /nfs/dbraw/zinc/84/89/95/844848995.db2.gz WLZNHJWNJWDNOW-WXFUMESZSA-N 2 1 391.559 3.827 20 0 GHADMP Cc1nc(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000549868188 844930824 /nfs/dbraw/zinc/93/08/24/844930824.db2.gz RBKZZQRNVXOAEW-HXUWFJFHSA-N 2 1 385.577 3.778 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000513204881 845046769 /nfs/dbraw/zinc/04/67/69/845046769.db2.gz WPHJCMZPMFHKRP-COPCDDAFSA-N 2 1 377.532 3.714 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC[N@H+]1Cc1ccccc1 ZINC000513204881 845046779 /nfs/dbraw/zinc/04/67/79/845046779.db2.gz WPHJCMZPMFHKRP-COPCDDAFSA-N 2 1 377.532 3.714 20 0 GHADMP c1coc(-c2noc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2)c1 ZINC000433059525 845123454 /nfs/dbraw/zinc/12/34/54/845123454.db2.gz UDGCHGDCOHVQIT-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP c1coc(-c2noc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2)c1 ZINC000433059525 845123462 /nfs/dbraw/zinc/12/34/62/845123462.db2.gz UDGCHGDCOHVQIT-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000509776840 845133382 /nfs/dbraw/zinc/13/33/82/845133382.db2.gz MTYQJFBNLZZCJZ-DNKMKRHMSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000509776840 845133389 /nfs/dbraw/zinc/13/33/89/845133389.db2.gz MTYQJFBNLZZCJZ-DNKMKRHMSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000509776840 845133393 /nfs/dbraw/zinc/13/33/93/845133393.db2.gz MTYQJFBNLZZCJZ-DNKMKRHMSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC[N@@H+]1Cc1ccccc1 ZINC000513331677 845253174 /nfs/dbraw/zinc/25/31/74/845253174.db2.gz VAQNPDVNRKCQOZ-HOJAQTOUSA-N 2 1 384.955 3.956 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC[N@H+]1Cc1ccccc1 ZINC000513331677 845253184 /nfs/dbraw/zinc/25/31/84/845253184.db2.gz VAQNPDVNRKCQOZ-HOJAQTOUSA-N 2 1 384.955 3.956 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262336681 845335988 /nfs/dbraw/zinc/33/59/88/845335988.db2.gz SHCPDKANIOYFEP-HPMIRVNYSA-N 2 1 383.580 3.652 20 0 GHADMP Cn1ncc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C(F)(F)F ZINC000179389179 861559855 /nfs/dbraw/zinc/55/98/55/861559855.db2.gz JYGMZSFOMXPCMR-UHFFFAOYSA-N 2 1 381.446 3.572 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000179390764 861561448 /nfs/dbraw/zinc/56/14/48/861561448.db2.gz NAKPYOAMPYMMBJ-GGAORHGYSA-N 2 1 398.595 3.801 20 0 GHADMP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433127446 845461173 /nfs/dbraw/zinc/46/11/73/845461173.db2.gz HSQCYGJBZQGKSG-UNMCSNQZSA-N 2 1 383.580 3.669 20 0 GHADMP CCC[N@H+](Cc1cnn(C)c1C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000892050519 845596504 /nfs/dbraw/zinc/59/65/04/845596504.db2.gz ZNAPGJVFNFMSQN-UHFFFAOYSA-N 2 1 382.556 3.585 20 0 GHADMP CCC[N@@H+](Cc1cnn(C)c1C1CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000892050519 845596511 /nfs/dbraw/zinc/59/65/11/845596511.db2.gz ZNAPGJVFNFMSQN-UHFFFAOYSA-N 2 1 382.556 3.585 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(Cl)s1 ZINC000156902013 845762354 /nfs/dbraw/zinc/76/23/54/845762354.db2.gz NTJQACZLIAMLDA-YOEHRIQHSA-N 2 1 391.968 3.950 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513667177 846214214 /nfs/dbraw/zinc/21/42/14/846214214.db2.gz PVOGZWZOYFPKFA-IEIRFRATSA-N 2 1 396.579 3.772 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513667177 846214241 /nfs/dbraw/zinc/21/42/41/846214241.db2.gz PVOGZWZOYFPKFA-IEIRFRATSA-N 2 1 396.579 3.772 20 0 GHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000513666645 846232673 /nfs/dbraw/zinc/23/26/73/846232673.db2.gz MWGVYOHEFRIYAZ-AIYYMTJKSA-N 2 1 393.531 3.825 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000664217439 846235239 /nfs/dbraw/zinc/23/52/39/846235239.db2.gz KGWGOBXCMDOPBE-PXNSSMCTSA-N 2 1 394.991 3.676 20 0 GHADMP NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513684007 846240340 /nfs/dbraw/zinc/24/03/40/846240340.db2.gz OBNHXNSVOBELAK-RJGXRXQPSA-N 2 1 377.532 3.566 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000280085929 846285064 /nfs/dbraw/zinc/28/50/64/846285064.db2.gz YTUQBCHOOXVRFU-CVEARBPZSA-N 2 1 380.492 3.875 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NCCCC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000502645129 846292342 /nfs/dbraw/zinc/29/23/42/846292342.db2.gz BVKUFJYWRLPPSI-HWELCPFYSA-N 2 1 392.632 3.983 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000582122937 846419746 /nfs/dbraw/zinc/41/97/46/846419746.db2.gz TYIKWPIIYKNSET-QZTJIDSGSA-N 2 1 381.520 3.541 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000502766750 846444754 /nfs/dbraw/zinc/44/47/54/846444754.db2.gz IHVDLSGTDKDRNY-HWELCPFYSA-N 2 1 392.632 3.697 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000216525484 846472798 /nfs/dbraw/zinc/47/27/98/846472798.db2.gz WEYYTRISEFYATQ-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000216525484 846472808 /nfs/dbraw/zinc/47/28/08/846472808.db2.gz WEYYTRISEFYATQ-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000502839196 846509406 /nfs/dbraw/zinc/50/94/06/846509406.db2.gz DDWMLKVAHVWTPE-XAYKGCCJSA-N 2 1 398.595 3.682 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc4onc(C)c4c3)CC2)cs1 ZINC000894262896 846521544 /nfs/dbraw/zinc/52/15/44/846521544.db2.gz YZKKUJDQJDXRAJ-UHFFFAOYSA-N 2 1 385.537 3.552 20 0 GHADMP C[N@H+](Cc1cncc(Br)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501056309 846588144 /nfs/dbraw/zinc/58/81/44/846588144.db2.gz YMVRBIXRRBWAFZ-UHFFFAOYSA-N 2 1 375.314 3.588 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CC1 ZINC000501089852 846611009 /nfs/dbraw/zinc/61/10/09/846611009.db2.gz PEHILSCKNRSDML-SFHVURJKSA-N 2 1 381.967 3.902 20 0 GHADMP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000421857701 846625179 /nfs/dbraw/zinc/62/51/79/846625179.db2.gz POHCSIGKXMOFQM-UNMCSNQZSA-N 2 1 386.580 3.853 20 0 GHADMP Cc1cc(OCC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1C(C)C ZINC000501101211 846643866 /nfs/dbraw/zinc/64/38/66/846643866.db2.gz IMABHDMCIKXOMK-FGZHOGPDSA-N 2 1 387.612 3.988 20 0 GHADMP Fc1ccc(F)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000582229696 846680481 /nfs/dbraw/zinc/68/04/81/846680481.db2.gz SAAFOSLYJGSVTQ-HXUWFJFHSA-N 2 1 386.486 3.983 20 0 GHADMP Fc1ccc(F)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000582229696 846680483 /nfs/dbraw/zinc/68/04/83/846680483.db2.gz SAAFOSLYJGSVTQ-HXUWFJFHSA-N 2 1 386.486 3.983 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000503053330 846769807 /nfs/dbraw/zinc/76/98/07/846769807.db2.gz ORUISDUFMVHOQH-JOCHJYFZSA-N 2 1 376.504 3.571 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000503053330 846769813 /nfs/dbraw/zinc/76/98/13/846769813.db2.gz ORUISDUFMVHOQH-JOCHJYFZSA-N 2 1 376.504 3.571 20 0 GHADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657399372 846940009 /nfs/dbraw/zinc/94/00/09/846940009.db2.gz IBRCDNPREZBUEE-YADHBBJMSA-N 2 1 399.510 3.871 20 0 GHADMP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH2+]C)CC1 ZINC000582360819 846949170 /nfs/dbraw/zinc/94/91/70/846949170.db2.gz QYJRWVIATUFCRD-JOCHJYFZSA-N 2 1 381.520 3.697 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272308789 847043956 /nfs/dbraw/zinc/04/39/56/847043956.db2.gz ILRVMVIPLJGMOK-REWPJTCUSA-N 2 1 378.564 3.546 20 0 GHADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272311284 847044674 /nfs/dbraw/zinc/04/46/74/847044674.db2.gz IZJRJSNNMSYESQ-IRFCIJBXSA-N 2 1 395.547 3.913 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544206128 847077711 /nfs/dbraw/zinc/07/77/11/847077711.db2.gz MKQFGNCTBBHBRC-ICSRJNTNSA-N 2 1 386.584 3.874 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544206128 847077720 /nfs/dbraw/zinc/07/77/20/847077720.db2.gz MKQFGNCTBBHBRC-ICSRJNTNSA-N 2 1 386.584 3.874 20 0 GHADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344581 847121339 /nfs/dbraw/zinc/12/13/39/847121339.db2.gz UEDSKZNFEOCOSM-LPHOPBHVSA-N 2 1 390.597 3.661 20 0 GHADMP C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000582420293 847191300 /nfs/dbraw/zinc/19/13/00/847191300.db2.gz LMATZIKSKAMQOK-AJTFRIOCSA-N 2 1 382.573 3.852 20 0 GHADMP C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000582420293 847191310 /nfs/dbraw/zinc/19/13/10/847191310.db2.gz LMATZIKSKAMQOK-AJTFRIOCSA-N 2 1 382.573 3.852 20 0 GHADMP C[C@H](Nc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272857687 847191351 /nfs/dbraw/zinc/19/13/51/847191351.db2.gz UGQVDYIXUCGSJI-FPOVZHCZSA-N 2 1 379.548 3.970 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272884591 847198533 /nfs/dbraw/zinc/19/85/33/847198533.db2.gz NYNUIBGZVLTZKN-NQIIRXRSSA-N 2 1 386.561 3.623 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000272884591 847198540 /nfs/dbraw/zinc/19/85/40/847198540.db2.gz NYNUIBGZVLTZKN-NQIIRXRSSA-N 2 1 386.561 3.623 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000501802876 847203275 /nfs/dbraw/zinc/20/32/75/847203275.db2.gz GGAZXSBNAFOJRU-QGZVFWFLSA-N 2 1 395.975 3.737 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(Br)ccc1F ZINC000582426197 847206124 /nfs/dbraw/zinc/20/61/24/847206124.db2.gz DTOKLWBQJMIHSN-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000501855219 847264141 /nfs/dbraw/zinc/26/41/41/847264141.db2.gz LXLBTRLMVACQEJ-SQXWHWBNSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501855219 847264152 /nfs/dbraw/zinc/26/41/52/847264152.db2.gz LXLBTRLMVACQEJ-SQXWHWBNSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501855219 847264163 /nfs/dbraw/zinc/26/41/63/847264163.db2.gz LXLBTRLMVACQEJ-SQXWHWBNSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC[N@@H+]1C ZINC000481586943 861772590 /nfs/dbraw/zinc/77/25/90/861772590.db2.gz ZKMCLLMGAYYRHM-QRVBRYPASA-N 2 1 379.504 3.657 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC[N@H+]1C ZINC000481586943 861772596 /nfs/dbraw/zinc/77/25/96/861772596.db2.gz ZKMCLLMGAYYRHM-QRVBRYPASA-N 2 1 379.504 3.657 20 0 GHADMP C[N@H+](Cc1cc(Br)ccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC000513733139 847541220 /nfs/dbraw/zinc/54/12/20/847541220.db2.gz NXZDLOMWDZLTFI-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000420936743 847556243 /nfs/dbraw/zinc/55/62/43/847556243.db2.gz KUWALTCHRCPCSR-XMMPIXPASA-N 2 1 396.531 3.777 20 0 GHADMP CCCn1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000567760431 861809988 /nfs/dbraw/zinc/80/99/88/861809988.db2.gz CIDNZXYTIXKCKB-HSZRJFAPSA-N 2 1 381.564 3.917 20 0 GHADMP COCC[N@@H+](C)CC[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000422722731 847796888 /nfs/dbraw/zinc/79/68/88/847796888.db2.gz YSKZETUSNNRCKM-KMDXXIMOSA-N 2 1 381.564 3.779 20 0 GHADMP c1cc(Oc2ccccc2)oc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000503580441 847813877 /nfs/dbraw/zinc/81/38/77/847813877.db2.gz ADVYIGOTDLPYPP-UHFFFAOYSA-N 2 1 392.503 3.769 20 0 GHADMP CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061423 847837646 /nfs/dbraw/zinc/83/76/46/847837646.db2.gz KDHMEVRSJWUQSS-UHFFFAOYSA-N 2 1 380.492 3.829 20 0 GHADMP CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061423 847837655 /nfs/dbraw/zinc/83/76/55/847837655.db2.gz KDHMEVRSJWUQSS-UHFFFAOYSA-N 2 1 380.492 3.829 20 0 GHADMP c1ccc(CCN2CCC([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422842374 847862358 /nfs/dbraw/zinc/86/23/58/847862358.db2.gz FQMLMHFVXBRRTN-UKILVPOCSA-N 2 1 391.559 3.539 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000422944001 847907392 /nfs/dbraw/zinc/90/73/92/847907392.db2.gz LWPVVOIDCLWRLB-GLUARIRHSA-N 3 1 385.596 3.696 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000422944001 847907405 /nfs/dbraw/zinc/90/74/05/847907405.db2.gz LWPVVOIDCLWRLB-GLUARIRHSA-N 2 1 385.596 3.696 20 0 GHADMP CCC(CC)(CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000503797601 847949752 /nfs/dbraw/zinc/94/97/52/847949752.db2.gz WJTOUYGUVCCFMX-WIYYLYMNSA-N 2 1 386.584 3.774 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423058569 847957099 /nfs/dbraw/zinc/95/70/99/847957099.db2.gz COGOUQWZYUGVPA-VDKIKQQVSA-N 2 1 391.559 3.743 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423058569 847957108 /nfs/dbraw/zinc/95/71/08/847957108.db2.gz COGOUQWZYUGVPA-VDKIKQQVSA-N 2 1 391.559 3.743 20 0 GHADMP CC(C)[C@@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164210 861912323 /nfs/dbraw/zinc/91/23/23/861912323.db2.gz BAOLKPAPHJQDIE-AZUAARDMSA-N 2 1 392.975 3.505 20 0 GHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431512528 848822030 /nfs/dbraw/zinc/82/20/30/848822030.db2.gz GKHLGBJUPICBGM-SFHVURJKSA-N 2 1 385.556 3.581 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(F)c1 ZINC000582993830 848843850 /nfs/dbraw/zinc/84/38/50/848843850.db2.gz ZBBCXGJVURCLCP-VQTJNVASSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(F)c1 ZINC000582993830 848843860 /nfs/dbraw/zinc/84/38/60/848843860.db2.gz ZBBCXGJVURCLCP-VQTJNVASSA-N 2 1 381.495 3.608 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(N4CCCC4=O)cc3)CC2)nc(C)[nH+]1 ZINC000162303476 848894117 /nfs/dbraw/zinc/89/41/17/848894117.db2.gz MHTANMGDQYAVRJ-QGZVFWFLSA-N 2 1 393.535 3.540 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H]1c1cccs1 ZINC000673863715 861993884 /nfs/dbraw/zinc/99/38/84/861993884.db2.gz KWQOAXAZQUHYKS-HNAYVOBHSA-N 2 1 396.520 3.533 20 0 GHADMP C[NH+](C)CCCCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000548789651 849299150 /nfs/dbraw/zinc/29/91/50/849299150.db2.gz VDZZBVHIZJUFRS-UHFFFAOYSA-N 2 1 377.532 3.633 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)CC2)oc1C ZINC000162760379 849438864 /nfs/dbraw/zinc/43/88/64/849438864.db2.gz JHQJBDSJRSXHOD-OQRWROFFSA-N 2 1 389.565 3.592 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000583257010 849465037 /nfs/dbraw/zinc/46/50/37/849465037.db2.gz LCSNASOLSBNOQW-SFHVURJKSA-N 2 1 398.551 3.695 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583422688 849869603 /nfs/dbraw/zinc/86/96/03/849869603.db2.gz ZDJPUVOMDXFAPB-WVYLNQBTSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583422688 849869606 /nfs/dbraw/zinc/86/96/06/849869606.db2.gz ZDJPUVOMDXFAPB-WVYLNQBTSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCCC[NH+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583422688 849869614 /nfs/dbraw/zinc/86/96/14/849869614.db2.gz ZDJPUVOMDXFAPB-WVYLNQBTSA-N 2 1 392.628 3.798 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+][C@H]3CC[NH2+][C@@H](C)C3)s2)cc1OC ZINC000423394757 849898163 /nfs/dbraw/zinc/89/81/63/849898163.db2.gz SHHQSEUSWSRRQU-ZQIUZPCESA-N 2 1 389.565 3.851 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583440094 849906313 /nfs/dbraw/zinc/90/63/13/849906313.db2.gz JZGOTGWWXRXKPU-HSZRJFAPSA-N 2 1 391.559 3.718 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583440094 849906316 /nfs/dbraw/zinc/90/63/16/849906316.db2.gz JZGOTGWWXRXKPU-HSZRJFAPSA-N 2 1 391.559 3.718 20 0 GHADMP CCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000414749973 849972210 /nfs/dbraw/zinc/97/22/10/849972210.db2.gz QHJBIQYIOURINU-HUUCEWRRSA-N 2 1 386.367 3.964 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000504427642 850060870 /nfs/dbraw/zinc/06/08/70/850060870.db2.gz SINKSARGWNRXKT-IFMALSPDSA-N 2 1 388.600 3.657 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027217 862087989 /nfs/dbraw/zinc/08/79/89/862087989.db2.gz GJGAFBQCBYTRKH-DHIUTWEWSA-N 2 1 394.563 3.595 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000711486982 850092818 /nfs/dbraw/zinc/09/28/18/850092818.db2.gz ZJNDXJXUSIDRPH-PBASOCQRSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000711486982 850092824 /nfs/dbraw/zinc/09/28/24/850092824.db2.gz ZJNDXJXUSIDRPH-PBASOCQRSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000423914342 850099778 /nfs/dbraw/zinc/09/97/78/850099778.db2.gz XTMLXVFMJRQUQQ-TZYHBYERSA-N 2 1 377.532 3.833 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958500 850273811 /nfs/dbraw/zinc/27/38/11/850273811.db2.gz GAHOWQKYINMNQU-WSCSCYJOSA-N 2 1 377.573 3.817 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000506657780 850324423 /nfs/dbraw/zinc/32/44/23/850324423.db2.gz UJFJHPIBCQIICD-IBGZPJMESA-N 2 1 390.572 3.662 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)CCN1C ZINC000424285424 850354603 /nfs/dbraw/zinc/35/46/03/850354603.db2.gz DXOVVAZHKUQUQI-YGRLFVJLSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)CC[N@@H+]1C ZINC000424285424 850354615 /nfs/dbraw/zinc/35/46/15/850354615.db2.gz DXOVVAZHKUQUQI-YGRLFVJLSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)CC[N@H+]1C ZINC000424285424 850354624 /nfs/dbraw/zinc/35/46/24/850354624.db2.gz DXOVVAZHKUQUQI-YGRLFVJLSA-N 2 1 378.685 3.517 20 0 GHADMP CC1(C)C[NH+](CCCCC[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000514831067 850364008 /nfs/dbraw/zinc/36/40/08/850364008.db2.gz GZVNDFWVFMZCJH-FXELSEDVSA-N 2 1 378.601 3.936 20 0 GHADMP CC1(C)C[N@@H+](CCCCC[NH+]2CC(C)(C)[C@H]2[C@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000514831067 850364017 /nfs/dbraw/zinc/36/40/17/850364017.db2.gz GZVNDFWVFMZCJH-FXELSEDVSA-N 2 1 378.601 3.936 20 0 GHADMP CC1(C)C[N@H+](CCCCC[NH+]2CC(C)(C)[C@H]2[C@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000514831067 850364029 /nfs/dbraw/zinc/36/40/29/850364029.db2.gz GZVNDFWVFMZCJH-FXELSEDVSA-N 2 1 378.601 3.936 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC[NH2+]CC2 ZINC000424302091 850371771 /nfs/dbraw/zinc/37/17/71/850371771.db2.gz YXUYZQDXVKGZQL-AVRDEDQJSA-N 2 1 397.588 3.808 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000424438584 850450354 /nfs/dbraw/zinc/45/03/54/850450354.db2.gz QDXQPYJWAGECLJ-XMSQKQJNSA-N 2 1 380.536 3.971 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000519015073 850494434 /nfs/dbraw/zinc/49/44/34/850494434.db2.gz FPVOFVVFUGALRJ-LJQANCHMSA-N 2 1 380.621 3.650 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000519015073 850494436 /nfs/dbraw/zinc/49/44/36/850494436.db2.gz FPVOFVVFUGALRJ-LJQANCHMSA-N 2 1 380.621 3.650 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000519015073 850494441 /nfs/dbraw/zinc/49/44/41/850494441.db2.gz FPVOFVVFUGALRJ-LJQANCHMSA-N 2 1 380.621 3.650 20 0 GHADMP Cn1ccnc1C[N@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435430699 850513063 /nfs/dbraw/zinc/51/30/63/850513063.db2.gz DYQUSBFOQCSMTG-QFIPXVFZSA-N 2 1 387.531 3.626 20 0 GHADMP Cn1ccnc1C[N@@H+](Cc1cccc(-c2ccncc2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435430699 850513072 /nfs/dbraw/zinc/51/30/72/850513072.db2.gz DYQUSBFOQCSMTG-QFIPXVFZSA-N 2 1 387.531 3.626 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCCOc1ccccc1Cl ZINC000414795210 850528075 /nfs/dbraw/zinc/52/80/75/850528075.db2.gz WTDDZSRPTUOIFA-UHFFFAOYSA-N 2 1 390.911 3.648 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000519222796 850776231 /nfs/dbraw/zinc/77/62/31/850776231.db2.gz BXRXIEPWPPMLEM-HNNXBMFYSA-N 2 1 383.483 3.669 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3cc(Br)ccc3o2)CCO1 ZINC000668786536 850783893 /nfs/dbraw/zinc/78/38/93/850783893.db2.gz CKMPMUKNPCLEKO-INIZCTEOSA-N 2 1 381.314 3.738 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3cc(Br)ccc3o2)CCO1 ZINC000668786536 850783900 /nfs/dbraw/zinc/78/39/00/850783900.db2.gz CKMPMUKNPCLEKO-INIZCTEOSA-N 2 1 381.314 3.738 20 0 GHADMP [NH3+][C@H](CNC1CC[NH+](Cc2ccccc2Br)CC1)c1ccccc1 ZINC000414825197 850796575 /nfs/dbraw/zinc/79/65/75/850796575.db2.gz BXPFCJMYUWXDOO-HXUWFJFHSA-N 2 1 388.353 3.703 20 0 GHADMP Cn1c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC000415009920 850962241 /nfs/dbraw/zinc/96/22/41/850962241.db2.gz UIGPKYAJUALQEW-MAUKXSAKSA-N 2 1 386.902 3.849 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000434351800 851005105 /nfs/dbraw/zinc/00/51/05/851005105.db2.gz DIRMJIPCYOFFNE-UGKGYDQZSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434351800 851005107 /nfs/dbraw/zinc/00/51/07/851005107.db2.gz DIRMJIPCYOFFNE-UGKGYDQZSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434351800 851005109 /nfs/dbraw/zinc/00/51/09/851005109.db2.gz DIRMJIPCYOFFNE-UGKGYDQZSA-N 2 1 390.616 3.689 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000187569572 851195934 /nfs/dbraw/zinc/19/59/34/851195934.db2.gz BKJJRAYQFHVZKM-DNQXCXABSA-N 2 1 388.596 3.656 20 0 GHADMP CN(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000488176310 851227466 /nfs/dbraw/zinc/22/74/66/851227466.db2.gz FHOOAGGIJCCZPJ-AIZNXBIQSA-N 2 1 398.595 3.829 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)c2)cc1 ZINC000514097077 851258827 /nfs/dbraw/zinc/25/88/27/851258827.db2.gz ZTQBFCQTHGGAJJ-RBZQAINGSA-N 2 1 391.559 3.887 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000514126922 851266051 /nfs/dbraw/zinc/26/60/51/851266051.db2.gz NOOKZRZPXRPICG-KCZVDYSFSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514126922 851266056 /nfs/dbraw/zinc/26/60/56/851266056.db2.gz NOOKZRZPXRPICG-KCZVDYSFSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514126922 851266070 /nfs/dbraw/zinc/26/60/70/851266070.db2.gz NOOKZRZPXRPICG-KCZVDYSFSA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(C)c(OC)c3)no2)CC1 ZINC000434600143 851331069 /nfs/dbraw/zinc/33/10/69/851331069.db2.gz UWLJUGGBYRVDHP-UHFFFAOYSA-N 2 1 386.540 3.998 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc(C)c(OC)c3)no2)CC1 ZINC000434600143 851331090 /nfs/dbraw/zinc/33/10/90/851331090.db2.gz UWLJUGGBYRVDHP-UHFFFAOYSA-N 2 1 386.540 3.998 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000514201176 851369421 /nfs/dbraw/zinc/36/94/21/851369421.db2.gz CAORHAAJJUYIND-ZPMCFJSWSA-N 2 1 398.526 3.563 20 0 GHADMP CCC[N@H+](CCc1ccc2c(c1)CCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440453280 851595996 /nfs/dbraw/zinc/59/59/96/851595996.db2.gz NFBWIPGTNBTVHW-UHFFFAOYSA-N 2 1 394.563 3.952 20 0 GHADMP CCC[N@@H+](CCc1ccc2c(c1)CCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440453280 851596001 /nfs/dbraw/zinc/59/60/01/851596001.db2.gz NFBWIPGTNBTVHW-UHFFFAOYSA-N 2 1 394.563 3.952 20 0 GHADMP C[N@H+](CCC(=O)NCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440456441 851634269 /nfs/dbraw/zinc/63/42/69/851634269.db2.gz YTCYYPBNRIRMJP-UHFFFAOYSA-N 2 1 399.966 3.943 20 0 GHADMP C[N@@H+](CCC(=O)NCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000440456441 851634276 /nfs/dbraw/zinc/63/42/76/851634276.db2.gz YTCYYPBNRIRMJP-UHFFFAOYSA-N 2 1 399.966 3.943 20 0 GHADMP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473738930 851806423 /nfs/dbraw/zinc/80/64/23/851806423.db2.gz MMQDOSCGMAMJFV-SBHAEUEKSA-N 2 1 388.600 3.830 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[NH+](C(C)C)CC2)c1 ZINC000473753261 851840365 /nfs/dbraw/zinc/84/03/65/851840365.db2.gz WSILTLYJRPTGCR-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000473753261 851840376 /nfs/dbraw/zinc/84/03/76/851840376.db2.gz WSILTLYJRPTGCR-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000473753261 851840384 /nfs/dbraw/zinc/84/03/84/851840384.db2.gz WSILTLYJRPTGCR-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1Br ZINC001212142287 851943402 /nfs/dbraw/zinc/94/34/02/851943402.db2.gz GIPUZQKCKJPVBX-AWEZNQCLSA-N 2 1 397.317 3.676 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000489060211 851975429 /nfs/dbraw/zinc/97/54/29/851975429.db2.gz KUUDXEFRAGSVED-WOJBJXKFSA-N 2 1 398.595 3.728 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000517511484 852063047 /nfs/dbraw/zinc/06/30/47/852063047.db2.gz ZSGSQNKQAGYFLQ-DENIHFKCSA-N 2 1 380.621 3.650 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(Br)c1OC ZINC000517550076 852107093 /nfs/dbraw/zinc/10/70/93/852107093.db2.gz RDOQBKOGQMVATL-UHFFFAOYSA-N 2 1 397.357 3.963 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)c1 ZINC000517642831 852218879 /nfs/dbraw/zinc/21/88/79/852218879.db2.gz ZNCUOYZUHQFDJI-QHCPKHFHSA-N 2 1 379.548 3.808 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000517642831 852218886 /nfs/dbraw/zinc/21/88/86/852218886.db2.gz ZNCUOYZUHQFDJI-QHCPKHFHSA-N 2 1 379.548 3.808 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000517642831 852218892 /nfs/dbraw/zinc/21/88/92/852218892.db2.gz ZNCUOYZUHQFDJI-QHCPKHFHSA-N 2 1 379.548 3.808 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+](C)Cc1ccccc1 ZINC000517701802 852292377 /nfs/dbraw/zinc/29/23/77/852292377.db2.gz WDNODRIOEAHBEZ-UGKGYDQZSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@H+](C)Cc1ccccc1 ZINC000517701802 852292384 /nfs/dbraw/zinc/29/23/84/852292384.db2.gz WDNODRIOEAHBEZ-UGKGYDQZSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000517701802 852292388 /nfs/dbraw/zinc/29/23/88/852292388.db2.gz WDNODRIOEAHBEZ-UGKGYDQZSA-N 2 1 397.538 3.674 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000506940009 852369948 /nfs/dbraw/zinc/36/99/48/852369948.db2.gz LMBHELDHXCKXQW-NHCUHLMSSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000506940009 852369960 /nfs/dbraw/zinc/36/99/60/852369960.db2.gz LMBHELDHXCKXQW-NHCUHLMSSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000506940009 852369971 /nfs/dbraw/zinc/36/99/71/852369971.db2.gz LMBHELDHXCKXQW-NHCUHLMSSA-N 2 1 392.632 3.937 20 0 GHADMP CCC(CC)n1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000438454291 852420027 /nfs/dbraw/zinc/42/00/27/852420027.db2.gz JNEQHFSEKMBCHX-UHFFFAOYSA-N 2 1 389.632 3.872 20 0 GHADMP CCC(CC)n1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000438454291 852420033 /nfs/dbraw/zinc/42/00/33/852420033.db2.gz JNEQHFSEKMBCHX-UHFFFAOYSA-N 2 1 389.632 3.872 20 0 GHADMP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489635219 852500489 /nfs/dbraw/zinc/50/04/89/852500489.db2.gz PVQRSSSEDFATQC-NRFANRHFSA-N 2 1 393.575 3.844 20 0 GHADMP Cc1ccccc1[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000507202997 852653417 /nfs/dbraw/zinc/65/34/17/852653417.db2.gz IJDPEVWXWSTAEX-HSZRJFAPSA-N 2 1 391.559 3.697 20 0 GHADMP CC(C)Oc1ccc([C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+](C)C)cc1 ZINC000489951659 852668114 /nfs/dbraw/zinc/66/81/14/852668114.db2.gz XTVHKSVIYFLUFW-HXUWFJFHSA-N 2 1 386.540 3.603 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000437070047 852714614 /nfs/dbraw/zinc/71/46/14/852714614.db2.gz SNECOKDDDMLKQZ-FXAWDEMLSA-N 2 1 383.502 3.761 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000516625363 852807674 /nfs/dbraw/zinc/80/76/74/852807674.db2.gz MTYJBWJWZUHZCK-UHFFFAOYSA-N 2 1 388.471 3.878 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc(Br)c1OC(F)F ZINC000414953767 852865073 /nfs/dbraw/zinc/86/50/73/852865073.db2.gz RXPMZFDVLZHGGD-CMPLNLGQSA-N 2 1 393.272 3.679 20 0 GHADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](CC)CC ZINC000469534953 852903883 /nfs/dbraw/zinc/90/38/83/852903883.db2.gz GNAFGBBYOAWEMX-ROUUACIJSA-N 2 1 385.474 3.516 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(-n2ccnn2)cc1 ZINC000507509575 852989111 /nfs/dbraw/zinc/98/91/11/852989111.db2.gz LKQPIAGGZNJJPV-KXHCOYLBSA-N 2 1 387.531 3.829 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000623828045 862441181 /nfs/dbraw/zinc/44/11/81/862441181.db2.gz HDMFALQBGGEYSD-AGILITTLSA-N 2 1 382.548 3.597 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000623828045 862441186 /nfs/dbraw/zinc/44/11/86/862441186.db2.gz HDMFALQBGGEYSD-AGILITTLSA-N 2 1 382.548 3.597 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)n[nH]1 ZINC000439143909 853339638 /nfs/dbraw/zinc/33/96/38/853339638.db2.gz VITMBNULHLOKBL-YMPZKCBVSA-N 2 1 393.579 3.577 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000518444021 853347090 /nfs/dbraw/zinc/34/70/90/853347090.db2.gz CPUFUHUBLGANJR-NQIIRXRSSA-N 2 1 398.551 3.545 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000439199779 853414885 /nfs/dbraw/zinc/41/48/85/853414885.db2.gz NRCBTOAOJKVTTH-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000439199779 853414893 /nfs/dbraw/zinc/41/48/93/853414893.db2.gz NRCBTOAOJKVTTH-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000439199779 853414900 /nfs/dbraw/zinc/41/49/00/853414900.db2.gz NRCBTOAOJKVTTH-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000669121698 853433942 /nfs/dbraw/zinc/43/39/42/853433942.db2.gz WKQBZJYEFWAUSO-SFHVURJKSA-N 2 1 392.547 3.521 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1)C(C)C ZINC000518610618 853547736 /nfs/dbraw/zinc/54/77/36/853547736.db2.gz QJUJDIOEACEITJ-UHFFFAOYSA-N 2 1 389.584 3.536 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2Br)no1 ZINC001212145007 853657290 /nfs/dbraw/zinc/65/72/90/853657290.db2.gz JAZQQGAZVXLVCJ-ZDUSSCGKSA-N 2 1 385.281 3.806 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000517324663 853660600 /nfs/dbraw/zinc/66/06/00/853660600.db2.gz WXFJQXDWBQFDJP-XMMPIXPASA-N 2 1 391.559 3.866 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000517324663 853660608 /nfs/dbraw/zinc/66/06/08/853660608.db2.gz WXFJQXDWBQFDJP-XMMPIXPASA-N 2 1 391.559 3.866 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000517324663 853660616 /nfs/dbraw/zinc/66/06/16/853660616.db2.gz WXFJQXDWBQFDJP-XMMPIXPASA-N 2 1 391.559 3.866 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000571164832 853776332 /nfs/dbraw/zinc/77/63/32/853776332.db2.gz DSAGUMVPHFJEMT-IAGOWNOFSA-N 2 1 378.442 3.713 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000571168985 853779118 /nfs/dbraw/zinc/77/91/18/853779118.db2.gz DNLWQSURIXOPAP-RBUKOAKNSA-N 2 1 375.513 3.668 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000520214313 853967674 /nfs/dbraw/zinc/96/76/74/853967674.db2.gz UEVYESFVMOURHA-MRXNPFEDSA-N 2 1 381.499 3.695 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000441272733 854059209 /nfs/dbraw/zinc/05/92/09/854059209.db2.gz VJPVWOHJXSYKML-YWZLYKJASA-N 2 1 397.485 3.689 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340495 854109480 /nfs/dbraw/zinc/10/94/80/854109480.db2.gz ZLURWRQRNJCNJV-PKTZIBPZSA-N 2 1 382.548 3.900 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340495 854109484 /nfs/dbraw/zinc/10/94/84/854109484.db2.gz ZLURWRQRNJCNJV-PKTZIBPZSA-N 2 1 382.548 3.900 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340495 854109493 /nfs/dbraw/zinc/10/94/93/854109493.db2.gz ZLURWRQRNJCNJV-PKTZIBPZSA-N 2 1 382.548 3.900 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340495 854109496 /nfs/dbraw/zinc/10/94/96/854109496.db2.gz ZLURWRQRNJCNJV-PKTZIBPZSA-N 2 1 382.548 3.900 20 0 GHADMP C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC[C@H]1CCCC[NH+]1C ZINC000441325187 854110601 /nfs/dbraw/zinc/11/06/01/854110601.db2.gz BSWZBPAICFVDMT-QGZVFWFLSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000441325187 854110604 /nfs/dbraw/zinc/11/06/04/854110604.db2.gz BSWZBPAICFVDMT-QGZVFWFLSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000441325187 854110609 /nfs/dbraw/zinc/11/06/09/854110609.db2.gz BSWZBPAICFVDMT-QGZVFWFLSA-N 2 1 382.346 3.584 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441411418 854190338 /nfs/dbraw/zinc/19/03/38/854190338.db2.gz NFIWQWJGVQCTTG-HNAYVOBHSA-N 2 1 384.442 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441411418 854190341 /nfs/dbraw/zinc/19/03/41/854190341.db2.gz NFIWQWJGVQCTTG-HNAYVOBHSA-N 2 1 384.442 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441411418 854190345 /nfs/dbraw/zinc/19/03/45/854190345.db2.gz NFIWQWJGVQCTTG-HNAYVOBHSA-N 2 1 384.442 3.913 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000588711267 854370077 /nfs/dbraw/zinc/37/00/77/854370077.db2.gz NKCXKSGVLPYGOI-HDICACEKSA-N 2 1 399.535 3.671 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)co2)cc1 ZINC000588711267 854370083 /nfs/dbraw/zinc/37/00/83/854370083.db2.gz NKCXKSGVLPYGOI-HDICACEKSA-N 2 1 399.535 3.671 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995583 854491830 /nfs/dbraw/zinc/49/18/30/854491830.db2.gz JWYSUZJMPVUIJU-YOFSQIOKSA-N 2 1 377.573 3.723 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000589206311 854749544 /nfs/dbraw/zinc/74/95/44/854749544.db2.gz ZRKQMHPEVIGGNH-QFBILLFUSA-N 2 1 380.964 3.506 20 0 GHADMP CCN1CC[C@@]2(C[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C)C1=O ZINC001168047776 862612736 /nfs/dbraw/zinc/61/27/36/862612736.db2.gz SLLPQONYDAOWFH-XHOYROJHSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389784 854834673 /nfs/dbraw/zinc/83/46/73/854834673.db2.gz WFBMKKJGFJNTJT-HXUWFJFHSA-N 2 1 377.573 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168389784 854834677 /nfs/dbraw/zinc/83/46/77/854834677.db2.gz WFBMKKJGFJNTJT-HXUWFJFHSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000624549047 854892654 /nfs/dbraw/zinc/89/26/54/854892654.db2.gz HTUGOMQBHBDEID-UHFFFAOYSA-N 2 1 398.816 3.758 20 0 GHADMP C[N@H+]1C[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000624569379 854906426 /nfs/dbraw/zinc/90/64/26/854906426.db2.gz LONNSFSTTHYKOR-PKTZIBPZSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189030374 855012221 /nfs/dbraw/zinc/01/22/21/855012221.db2.gz OYDXIGLAZCETIF-NHCUHLMSSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189030374 855012226 /nfs/dbraw/zinc/01/22/26/855012226.db2.gz OYDXIGLAZCETIF-NHCUHLMSSA-N 2 1 383.580 3.548 20 0 GHADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655791293 855192679 /nfs/dbraw/zinc/19/26/79/855192679.db2.gz LLEYBGYTNPGUPI-KGSLCBSSSA-N 2 1 375.516 3.725 20 0 GHADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655791293 855192684 /nfs/dbraw/zinc/19/26/84/855192684.db2.gz LLEYBGYTNPGUPI-KGSLCBSSSA-N 2 1 375.516 3.725 20 0 GHADMP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589999431 855219779 /nfs/dbraw/zinc/21/97/79/855219779.db2.gz HOQDJOOPVSNKPC-LJQANCHMSA-N 2 1 397.538 3.674 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C(=O)OC)cc1 ZINC000590242142 855329339 /nfs/dbraw/zinc/32/93/39/855329339.db2.gz ZUYMTLOOTSOHTK-FDDCHVKYSA-N 2 1 396.531 3.935 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C(=O)OC)cc1 ZINC000590242142 855329351 /nfs/dbraw/zinc/32/93/51/855329351.db2.gz ZUYMTLOOTSOHTK-FDDCHVKYSA-N 2 1 396.531 3.935 20 0 GHADMP CC(C)C[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000542715858 855545575 /nfs/dbraw/zinc/54/55/75/855545575.db2.gz LAXZPPQPTBEDQO-QUCCMNQESA-N 2 1 382.552 3.644 20 0 GHADMP CC1CC[NH+](C2CCC([NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)CC2)CC1 ZINC000542724801 855566322 /nfs/dbraw/zinc/56/63/22/855566322.db2.gz SLYXIUAZJALXFV-UHFFFAOYSA-N 2 1 399.000 3.876 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000590786272 855585850 /nfs/dbraw/zinc/58/58/50/855585850.db2.gz LWUMKBURDOLMTH-SJORKVTESA-N 2 1 379.976 3.958 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](CCc3ccccc3)C1)O[C@@H](C)C2 ZINC000590798617 855592622 /nfs/dbraw/zinc/59/26/22/855592622.db2.gz LHKIVILHTBMMRE-ICSRJNTNSA-N 2 1 380.532 3.673 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)O[C@@H](C)C2 ZINC000590798617 855592628 /nfs/dbraw/zinc/59/26/28/855592628.db2.gz LHKIVILHTBMMRE-ICSRJNTNSA-N 2 1 380.532 3.673 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1NC(C)=O ZINC000482118409 862699704 /nfs/dbraw/zinc/69/97/04/862699704.db2.gz DATLOWJODNAZRV-DYESRHJHSA-N 2 1 381.520 3.654 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1NC(C)=O ZINC000482118409 862699714 /nfs/dbraw/zinc/69/97/14/862699714.db2.gz DATLOWJODNAZRV-DYESRHJHSA-N 2 1 381.520 3.654 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1NC(C)=O ZINC000482118411 862700097 /nfs/dbraw/zinc/70/00/97/862700097.db2.gz DATLOWJODNAZRV-UTKZUKDTSA-N 2 1 381.520 3.654 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1NC(C)=O ZINC000482118411 862700100 /nfs/dbraw/zinc/70/01/00/862700100.db2.gz DATLOWJODNAZRV-UTKZUKDTSA-N 2 1 381.520 3.654 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000482108172 862710388 /nfs/dbraw/zinc/71/03/88/862710388.db2.gz YNWZYUPKCBDRFK-KXBFYZLASA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@@H](C)C1 ZINC000482108172 862710396 /nfs/dbraw/zinc/71/03/96/862710396.db2.gz YNWZYUPKCBDRFK-KXBFYZLASA-N 2 1 388.474 3.941 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C[C@H]21 ZINC000520583207 855710270 /nfs/dbraw/zinc/71/02/70/855710270.db2.gz LYJMKTBYZBCEBC-PWRODBHTSA-N 2 1 375.516 3.509 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C[C@H]21 ZINC000520583207 855710278 /nfs/dbraw/zinc/71/02/78/855710278.db2.gz LYJMKTBYZBCEBC-PWRODBHTSA-N 2 1 375.516 3.509 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000482139617 862726757 /nfs/dbraw/zinc/72/67/57/862726757.db2.gz PPXFPWCYJRFSTP-ZIFCJYIRSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000573121457 855852085 /nfs/dbraw/zinc/85/20/85/855852085.db2.gz DDOYWBFUMRDRKE-GHTZIAJQSA-N 2 1 393.531 3.687 20 0 GHADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000669401873 855854857 /nfs/dbraw/zinc/85/48/57/855854857.db2.gz XYYXSSQTCVAMJU-XMSQKQJNSA-N 2 1 386.584 3.720 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000573094362 855862134 /nfs/dbraw/zinc/86/21/34/855862134.db2.gz VOWSIBUCCAFSAS-GOTSBHOMSA-N 2 1 389.628 3.858 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000485008189 855983635 /nfs/dbraw/zinc/98/36/35/855983635.db2.gz LCBKIUHSLGSHQE-RTBURBONSA-N 2 1 390.572 3.744 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591438843 855987328 /nfs/dbraw/zinc/98/73/28/855987328.db2.gz NJKVUKDGAFURKO-RBUKOAKNSA-N 2 1 398.551 3.511 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591438843 855987334 /nfs/dbraw/zinc/98/73/34/855987334.db2.gz NJKVUKDGAFURKO-RBUKOAKNSA-N 2 1 398.551 3.511 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000140320560 856026678 /nfs/dbraw/zinc/02/66/78/856026678.db2.gz UOMXBXJJIHDYGW-UHFFFAOYSA-N 2 1 388.600 3.724 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000573317654 856073645 /nfs/dbraw/zinc/07/36/45/856073645.db2.gz QKHYPEVMABCMGE-CTNGQTDRSA-N 2 1 380.536 3.609 20 0 GHADMP Cc1cc(C)cc(OCC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000674306402 856152288 /nfs/dbraw/zinc/15/22/88/856152288.db2.gz MRIAGTSQYMAFTM-UHFFFAOYSA-N 2 1 387.612 3.810 20 0 GHADMP Cc1cc(C)cc(OCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000674306402 856152291 /nfs/dbraw/zinc/15/22/91/856152291.db2.gz MRIAGTSQYMAFTM-UHFFFAOYSA-N 3 1 387.612 3.810 20 0 GHADMP Cc1cc(C)cc(OCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000674306402 856152294 /nfs/dbraw/zinc/15/22/94/856152294.db2.gz MRIAGTSQYMAFTM-UHFFFAOYSA-N 3 1 387.612 3.810 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905122149 856168903 /nfs/dbraw/zinc/16/89/03/856168903.db2.gz LIPBAVVJRHVVAL-YGOYIFOWSA-N 2 1 382.548 3.676 20 0 GHADMP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486448 856220797 /nfs/dbraw/zinc/22/07/97/856220797.db2.gz RMPSLYPIQYVYFY-OAQYLSRUSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536489538 856229830 /nfs/dbraw/zinc/22/98/30/856229830.db2.gz ALVKBWCUSGHWJZ-QHCPKHFHSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536489524 856229941 /nfs/dbraw/zinc/22/99/41/856229941.db2.gz ALVKBWCUSGHWJZ-HSZRJFAPSA-N 2 1 394.559 3.723 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168664126 856321649 /nfs/dbraw/zinc/32/16/49/856321649.db2.gz ZDMMDUWRZURUJF-QENXHYHDSA-N 2 1 392.543 3.979 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168664126 856321663 /nfs/dbraw/zinc/32/16/63/856321663.db2.gz ZDMMDUWRZURUJF-QENXHYHDSA-N 2 1 392.543 3.979 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168664126 856321672 /nfs/dbraw/zinc/32/16/72/856321672.db2.gz ZDMMDUWRZURUJF-QENXHYHDSA-N 2 1 392.543 3.979 20 0 GHADMP CCCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195426176 856397818 /nfs/dbraw/zinc/39/78/18/856397818.db2.gz UILCQIULNVASHJ-HSZRJFAPSA-N 2 1 383.580 3.764 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000573818028 856502707 /nfs/dbraw/zinc/50/27/07/856502707.db2.gz GJKNVZBFTIPGLK-NOTZXAQLSA-N 2 1 390.531 3.649 20 0 GHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508905500 856586395 /nfs/dbraw/zinc/58/63/95/856586395.db2.gz LKNNCSAHNSVBKU-REWPJTCUSA-N 2 1 394.563 3.595 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000485462435 856602928 /nfs/dbraw/zinc/60/29/28/856602928.db2.gz DINLWVKXSNOJBQ-QHCPKHFHSA-N 2 1 394.559 3.723 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CCc3ccccc3)CC2)cs1 ZINC000573913779 856611474 /nfs/dbraw/zinc/61/14/74/856611474.db2.gz MIFCVGFBKOIIHR-NRFANRHFSA-N 2 1 387.593 3.501 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000592366559 856779178 /nfs/dbraw/zinc/77/91/78/856779178.db2.gz BOVVPLQQASFKMA-GOSISDBHSA-N 2 1 399.560 3.649 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000592366559 856779180 /nfs/dbraw/zinc/77/91/80/856779180.db2.gz BOVVPLQQASFKMA-GOSISDBHSA-N 2 1 399.560 3.649 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cc2)C1 ZINC000658140075 856789404 /nfs/dbraw/zinc/78/94/04/856789404.db2.gz SINRYVDYPMGRLG-VWNXMTODSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cc2)C1 ZINC000658140075 856789410 /nfs/dbraw/zinc/78/94/10/856789410.db2.gz SINRYVDYPMGRLG-VWNXMTODSA-N 2 1 391.490 3.667 20 0 GHADMP Cc1cn2cc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)ccc2n1 ZINC000509211792 862842503 /nfs/dbraw/zinc/84/25/03/862842503.db2.gz OKEULTYPFHHJRK-SFHVURJKSA-N 2 1 384.430 3.739 20 0 GHADMP COc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000508203792 857065233 /nfs/dbraw/zinc/06/52/33/857065233.db2.gz DXCUYHZZYQFARR-MOXWOTFGSA-N 2 1 387.568 3.600 20 0 GHADMP O=S(=O)(CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccc(F)cc1 ZINC000064141505 857111635 /nfs/dbraw/zinc/11/16/35/857111635.db2.gz NGRCLAPISQPZAV-UHFFFAOYSA-N 2 1 396.572 3.578 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011656 857128351 /nfs/dbraw/zinc/12/83/51/857128351.db2.gz QLQWSJBZJPDSIG-OPVJXMOQSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000520798600 857164620 /nfs/dbraw/zinc/16/46/20/857164620.db2.gz YGXOOJZNGXTRNJ-AVRDEDQJSA-N 2 1 386.511 3.518 20 0 GHADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658318636 857369352 /nfs/dbraw/zinc/36/93/52/857369352.db2.gz RDXOPVFBBHPXAH-DHIUTWEWSA-N 2 1 386.580 3.710 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000766140948 857407697 /nfs/dbraw/zinc/40/76/97/857407697.db2.gz ZMJSSRVHTYTGIW-JRGCBEDISA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000766140948 857407709 /nfs/dbraw/zinc/40/77/09/857407709.db2.gz ZMJSSRVHTYTGIW-JRGCBEDISA-N 2 1 387.568 3.932 20 0 GHADMP COc1cc(OC)c(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c(OC)c1 ZINC000675487885 857449905 /nfs/dbraw/zinc/44/99/05/857449905.db2.gz SJEAMAAIAZIBPU-SFHVURJKSA-N 2 1 376.541 3.766 20 0 GHADMP COc1cc(OC)c(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c(OC)c1 ZINC000675487885 857449909 /nfs/dbraw/zinc/44/99/09/857449909.db2.gz SJEAMAAIAZIBPU-SFHVURJKSA-N 2 1 376.541 3.766 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000675728920 857586011 /nfs/dbraw/zinc/58/60/11/857586011.db2.gz HZEOLEKWTXOTIG-KRWDZBQOSA-N 2 1 384.495 3.955 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000675750047 857587023 /nfs/dbraw/zinc/58/70/23/857587023.db2.gz KYRUKRYULUAZNT-RBUKOAKNSA-N 2 1 390.535 3.888 20 0 GHADMP COc1ccc([C@H]2C[C@H]([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CCO2)cc1 ZINC001168589216 857652297 /nfs/dbraw/zinc/65/22/97/857652297.db2.gz LPGUYXDEMQYGFN-ISKFKSNPSA-N 2 1 396.531 3.537 20 0 GHADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000521175682 857704991 /nfs/dbraw/zinc/70/49/91/857704991.db2.gz ODYQLHUPKOFGOV-FQEVSTJZSA-N 2 1 394.563 3.602 20 0 GHADMP CC(C)[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC1 ZINC000466004777 857733068 /nfs/dbraw/zinc/73/30/68/857733068.db2.gz AYLVIRWVJMHQEW-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC1 ZINC000466004777 857733072 /nfs/dbraw/zinc/73/30/72/857733072.db2.gz AYLVIRWVJMHQEW-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000466004777 857733079 /nfs/dbraw/zinc/73/30/79/857733079.db2.gz AYLVIRWVJMHQEW-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000466004777 857733085 /nfs/dbraw/zinc/73/30/85/857733085.db2.gz AYLVIRWVJMHQEW-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP C[C@](CO)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000478177351 857773656 /nfs/dbraw/zinc/77/36/56/857773656.db2.gz OHFFMUTVRXPXHW-ZYQDXHPFSA-N 2 1 378.560 3.728 20 0 GHADMP C[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000065541945 857814954 /nfs/dbraw/zinc/81/49/54/857814954.db2.gz KOQLJTDMLRPFIM-UHFFFAOYSA-N 2 1 394.563 3.604 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000605339789 862967444 /nfs/dbraw/zinc/96/74/44/862967444.db2.gz NVLZMFSMVJHJIF-RBUKOAKNSA-N 2 1 390.572 3.792 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccc(F)cc4[nH]3)cc2)CC1 ZINC000486703356 858009612 /nfs/dbraw/zinc/00/96/12/858009612.db2.gz RQVVAWUQFNWBBV-UHFFFAOYSA-N 2 1 380.511 3.734 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)ccc2oc1=O ZINC000624204623 862981855 /nfs/dbraw/zinc/98/18/55/862981855.db2.gz CZOWVIXFXKYLIF-PCCBWWKXSA-N 2 1 391.515 3.522 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000521602194 858147952 /nfs/dbraw/zinc/14/79/52/858147952.db2.gz XEXSLBRAFBPVJT-SBHAEUEKSA-N 2 1 389.559 3.522 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](OCC(C)C)C3(C)C)CC2)oc1C ZINC000181740420 862993891 /nfs/dbraw/zinc/99/38/91/862993891.db2.gz RHQGAMPGPQCVTM-WOJBJXKFSA-N 2 1 377.573 3.933 20 0 GHADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCC[C@H](C)C1 ZINC000521687064 858245383 /nfs/dbraw/zinc/24/53/83/858245383.db2.gz ICMRANOWCWYMSX-ROUUACIJSA-N 2 1 394.991 3.534 20 0 GHADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000521687063 858245552 /nfs/dbraw/zinc/24/55/52/858245552.db2.gz ICMRANOWCWYMSX-QZTJIDSGSA-N 2 1 394.991 3.534 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000674099212 863007135 /nfs/dbraw/zinc/00/71/35/863007135.db2.gz VYFGQQNAFZANEM-GHTZIAJQSA-N 2 1 383.536 3.762 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142757 858298595 /nfs/dbraw/zinc/29/85/95/858298595.db2.gz YURRUGAUTHUQQF-JBACZVJFSA-N 2 1 398.551 3.625 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443103961 858362103 /nfs/dbraw/zinc/36/21/03/858362103.db2.gz RLJRZEIKBNPSKI-BVYCBKJFSA-N 2 1 375.601 3.943 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000574916348 858393611 /nfs/dbraw/zinc/39/36/11/858393611.db2.gz LMURXAAJHIWMFI-VSKRKVRLSA-N 2 1 383.580 3.857 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000574916348 858393620 /nfs/dbraw/zinc/39/36/20/858393620.db2.gz LMURXAAJHIWMFI-VSKRKVRLSA-N 2 1 383.580 3.857 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000574869046 858400800 /nfs/dbraw/zinc/40/08/00/858400800.db2.gz KZEXXPCRDJVJAB-PMACEKPBSA-N 2 1 388.577 3.552 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000574869046 858400802 /nfs/dbraw/zinc/40/08/02/858400802.db2.gz KZEXXPCRDJVJAB-PMACEKPBSA-N 2 1 388.577 3.552 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000595463223 858538445 /nfs/dbraw/zinc/53/84/45/858538445.db2.gz QFXITTVLEQJAKZ-NHCUHLMSSA-N 2 1 399.579 3.640 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000474078904 858798833 /nfs/dbraw/zinc/79/88/33/858798833.db2.gz HOTKMASHABZAGV-LADGPHEKSA-N 2 1 380.532 3.644 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000474078904 858798840 /nfs/dbraw/zinc/79/88/40/858798840.db2.gz HOTKMASHABZAGV-LADGPHEKSA-N 2 1 380.532 3.644 20 0 GHADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791606 858907941 /nfs/dbraw/zinc/90/79/41/858907941.db2.gz QWUUEWQBWROWPA-XWSHUIEDSA-N 2 1 397.588 3.593 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791606 858907950 /nfs/dbraw/zinc/90/79/50/858907950.db2.gz QWUUEWQBWROWPA-XWSHUIEDSA-N 2 1 397.588 3.593 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791606 858907960 /nfs/dbraw/zinc/90/79/60/858907960.db2.gz QWUUEWQBWROWPA-XWSHUIEDSA-N 2 1 397.588 3.593 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc4ccncc4s3)C2)ccn1 ZINC000856548449 881362687 /nfs/dbraw/zinc/36/26/87/881362687.db2.gz FYAYVLAUYQEBHF-IBGZPJMESA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc4ccncc4s3)C2)ccn1 ZINC000856548449 881362698 /nfs/dbraw/zinc/36/26/98/881362698.db2.gz FYAYVLAUYQEBHF-IBGZPJMESA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc4ccncc4s3)C2)ccn1 ZINC000856548449 881362718 /nfs/dbraw/zinc/36/27/18/881362718.db2.gz FYAYVLAUYQEBHF-IBGZPJMESA-N 2 1 382.533 3.796 20 0 GHADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482872245 858928992 /nfs/dbraw/zinc/92/89/92/858928992.db2.gz BMPUISIUKIJZJY-OAQYLSRUSA-N 2 1 394.003 3.830 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000482869349 858929094 /nfs/dbraw/zinc/92/90/94/858929094.db2.gz MYZSTALBXLCEKI-XMMPIXPASA-N 2 1 393.575 3.893 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000482886620 858942432 /nfs/dbraw/zinc/94/24/32/858942432.db2.gz JEQMZFNCYJYPHR-QGZVFWFLSA-N 2 1 384.351 3.513 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000532188688 881363531 /nfs/dbraw/zinc/36/35/31/881363531.db2.gz ZMQVUKLGISHARP-CRAIPNDOSA-N 2 1 377.529 3.535 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)C1CC1 ZINC000895283656 859014029 /nfs/dbraw/zinc/01/40/29/859014029.db2.gz ZERKNJKQCKUOJS-UHFFFAOYSA-N 2 1 398.595 3.658 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000466307858 859070302 /nfs/dbraw/zinc/07/03/02/859070302.db2.gz ORUZYXBDNGEFQX-BAGYTPMASA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000466307858 859070313 /nfs/dbraw/zinc/07/03/13/859070313.db2.gz ORUZYXBDNGEFQX-BAGYTPMASA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000466307858 859070320 /nfs/dbraw/zinc/07/03/20/859070320.db2.gz ORUZYXBDNGEFQX-BAGYTPMASA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745494 859124410 /nfs/dbraw/zinc/12/44/10/859124410.db2.gz ZZGBRVZBSDELLZ-NFBKMPQASA-N 2 1 397.607 3.710 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745494 859124417 /nfs/dbraw/zinc/12/44/17/859124417.db2.gz ZZGBRVZBSDELLZ-NFBKMPQASA-N 2 1 397.607 3.710 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000185747521 859124541 /nfs/dbraw/zinc/12/45/41/859124541.db2.gz OJWSJGNJNYVXRH-BOCKYXSRSA-N 2 1 389.559 3.882 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000185747521 859124554 /nfs/dbraw/zinc/12/45/54/859124554.db2.gz OJWSJGNJNYVXRH-BOCKYXSRSA-N 2 1 389.559 3.882 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000483083926 859133628 /nfs/dbraw/zinc/13/36/28/859133628.db2.gz MFRGLJXEHFNDMB-CJFMBICVSA-N 2 1 391.559 3.769 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000483083926 859133639 /nfs/dbraw/zinc/13/36/39/859133639.db2.gz MFRGLJXEHFNDMB-CJFMBICVSA-N 2 1 391.559 3.769 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H](C)C1 ZINC000443657146 859199916 /nfs/dbraw/zinc/19/99/16/859199916.db2.gz SMWSRCXJFVCVLX-ROUUACIJSA-N 2 1 375.582 3.542 20 0 GHADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000443657145 859200064 /nfs/dbraw/zinc/20/00/64/859200064.db2.gz SMWSRCXJFVCVLX-QZTJIDSGSA-N 2 1 375.582 3.542 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(OC(F)F)cc3)C2)ccn1 ZINC000856554514 881399185 /nfs/dbraw/zinc/39/91/85/881399185.db2.gz JQNVTJSQSXCDKD-FQEVSTJZSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(OC(F)F)cc3)C2)ccn1 ZINC000856554514 881399230 /nfs/dbraw/zinc/39/92/30/881399230.db2.gz JQNVTJSQSXCDKD-FQEVSTJZSA-N 2 1 391.462 3.788 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)ccn1 ZINC000856554514 881399261 /nfs/dbraw/zinc/39/92/61/881399261.db2.gz JQNVTJSQSXCDKD-FQEVSTJZSA-N 2 1 391.462 3.788 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nccn3-c3ccccc3)CC2)C[C@@H](C)O1 ZINC000483296230 859277994 /nfs/dbraw/zinc/27/79/94/859277994.db2.gz MAQPZKUPJVUPHJ-WOJBJXKFSA-N 2 1 382.552 3.584 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000466726530 859327001 /nfs/dbraw/zinc/32/70/01/859327001.db2.gz JROLMMLZFIFGTN-UHFFFAOYSA-N 2 1 392.931 3.713 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1 ZINC000483412201 859346976 /nfs/dbraw/zinc/34/69/76/859346976.db2.gz SFUHFRDDFWNHBH-RTWAWAEBSA-N 2 1 389.609 3.570 20 0 GHADMP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000597238413 859370555 /nfs/dbraw/zinc/37/05/55/859370555.db2.gz IJCYXEZIUOGLPS-UNMCSNQZSA-N 2 1 376.516 3.544 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483502817 859413816 /nfs/dbraw/zinc/41/38/16/859413816.db2.gz IDYIVTOWZIJLLM-SSPYTLHUSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483502817 859413827 /nfs/dbraw/zinc/41/38/27/859413827.db2.gz IDYIVTOWZIJLLM-SSPYTLHUSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483502817 859413834 /nfs/dbraw/zinc/41/38/34/859413834.db2.gz IDYIVTOWZIJLLM-SSPYTLHUSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483502817 859413841 /nfs/dbraw/zinc/41/38/41/859413841.db2.gz IDYIVTOWZIJLLM-SSPYTLHUSA-N 2 1 398.522 3.552 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000626062089 859434603 /nfs/dbraw/zinc/43/46/03/859434603.db2.gz GHWDUSSIUCQRJO-IBGZPJMESA-N 2 1 379.548 3.544 20 0 GHADMP COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657593641 859452376 /nfs/dbraw/zinc/45/23/76/859452376.db2.gz AYMVWKBHNXCJJC-OAQYLSRUSA-N 2 1 376.500 3.705 20 0 GHADMP COc1ccsc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558313 881424087 /nfs/dbraw/zinc/42/40/87/881424087.db2.gz FQUSBCCDMZXAAW-GOSISDBHSA-N 2 1 375.538 3.645 20 0 GHADMP COc1ccsc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558313 881424104 /nfs/dbraw/zinc/42/41/04/881424104.db2.gz FQUSBCCDMZXAAW-GOSISDBHSA-N 2 1 375.538 3.645 20 0 GHADMP COc1ccsc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558313 881424116 /nfs/dbraw/zinc/42/41/16/881424116.db2.gz FQUSBCCDMZXAAW-GOSISDBHSA-N 2 1 375.538 3.645 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)OCCO2 ZINC000895448232 859491246 /nfs/dbraw/zinc/49/12/46/859491246.db2.gz ABHUFJIPBPFRCV-NJDAHSKKSA-N 2 1 388.527 3.512 20 0 GHADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000764542635 859493195 /nfs/dbraw/zinc/49/31/95/859493195.db2.gz ZXNYLHCAHYQAPZ-NRFANRHFSA-N 2 1 386.584 3.668 20 0 GHADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC001170366119 881431882 /nfs/dbraw/zinc/43/18/82/881431882.db2.gz UVMCZSBDZKLQRA-UHFFFAOYSA-N 2 1 376.585 3.826 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000764714299 859578652 /nfs/dbraw/zinc/57/86/52/859578652.db2.gz DUCUJEDUWKYORM-SIKLNZKXSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000764714299 859578661 /nfs/dbraw/zinc/57/86/61/859578661.db2.gz DUCUJEDUWKYORM-SIKLNZKXSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000764716191 859579564 /nfs/dbraw/zinc/57/95/64/859579564.db2.gz UZTRHRDNTQFWHM-XXBNENTESA-N 2 1 377.532 3.814 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CC(C)C ZINC000764777349 859607747 /nfs/dbraw/zinc/60/77/47/859607747.db2.gz SYHGOJVJDQWLQL-NRSPTQNISA-N 2 1 375.557 3.790 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CC(C)C ZINC000764777349 859607748 /nfs/dbraw/zinc/60/77/48/859607748.db2.gz SYHGOJVJDQWLQL-NRSPTQNISA-N 2 1 375.557 3.790 20 0 GHADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856560776 881444540 /nfs/dbraw/zinc/44/45/40/881444540.db2.gz QSNFWGUADPEAJX-QFIPXVFZSA-N 2 1 385.556 3.661 20 0 GHADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856560776 881444552 /nfs/dbraw/zinc/44/45/52/881444552.db2.gz QSNFWGUADPEAJX-QFIPXVFZSA-N 2 1 385.556 3.661 20 0 GHADMP Cc1nn(C(C)C)cc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856560776 881444564 /nfs/dbraw/zinc/44/45/64/881444564.db2.gz QSNFWGUADPEAJX-QFIPXVFZSA-N 2 1 385.556 3.661 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764969704 859714309 /nfs/dbraw/zinc/71/43/09/859714309.db2.gz AXBXZEUWAPXNDW-KHUIQGCPSA-N 2 1 387.612 3.624 20 0 GHADMP C[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000474262904 859722664 /nfs/dbraw/zinc/72/26/64/859722664.db2.gz BQTZNFPOEJJDKE-WIYYLYMNSA-N 2 1 397.529 3.986 20 0 GHADMP Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000483970356 859732974 /nfs/dbraw/zinc/73/29/74/859732974.db2.gz CJWYSZSEVWBJPR-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000483970356 859732981 /nfs/dbraw/zinc/73/29/81/859732981.db2.gz CJWYSZSEVWBJPR-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP COCCc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000631176345 859838750 /nfs/dbraw/zinc/83/87/50/859838750.db2.gz BCJWUJZLIWDWBO-IBGZPJMESA-N 2 1 385.577 3.724 20 0 GHADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561802 881468929 /nfs/dbraw/zinc/46/89/29/881468929.db2.gz RSSCMJCFCCIXPT-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856561802 881468934 /nfs/dbraw/zinc/46/89/34/881468934.db2.gz RSSCMJCFCCIXPT-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856561802 881468940 /nfs/dbraw/zinc/46/89/40/881468940.db2.gz RSSCMJCFCCIXPT-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cscc1Br ZINC000511919886 859864231 /nfs/dbraw/zinc/86/42/31/859864231.db2.gz BXBOMTKGIVXAPG-KRWDZBQOSA-N 2 1 395.366 3.757 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cscc1Br ZINC000511919886 859864240 /nfs/dbraw/zinc/86/42/40/859864240.db2.gz BXBOMTKGIVXAPG-KRWDZBQOSA-N 2 1 395.366 3.757 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000922387276 859883396 /nfs/dbraw/zinc/88/33/96/859883396.db2.gz LNSCGHUNCACXBT-RRIFGTCXSA-N 2 1 388.886 3.511 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3nc(Cl)ccc3s1)C2 ZINC000922391176 859887798 /nfs/dbraw/zinc/88/77/98/859887798.db2.gz UIMAZIGZSXIIQL-RGCFKVTRSA-N 2 1 379.957 3.519 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000765348919 859932804 /nfs/dbraw/zinc/93/28/04/859932804.db2.gz BBVHSAIYZBZNMN-SFHVURJKSA-N 2 1 379.504 3.958 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765432690 859968099 /nfs/dbraw/zinc/96/80/99/859968099.db2.gz IYDOXYWAXJEFGW-QGZVFWFLSA-N 2 1 393.597 3.753 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465593941 860085712 /nfs/dbraw/zinc/08/57/12/860085712.db2.gz HDJSIEUFVGRKBV-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000474468067 860149569 /nfs/dbraw/zinc/14/95/69/860149569.db2.gz HBIFMOXQCHIVQE-PMACEKPBSA-N 2 1 381.564 3.724 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000428884294 860193995 /nfs/dbraw/zinc/19/39/95/860193995.db2.gz FDRXFMRNNAZFBP-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000428884294 860193997 /nfs/dbraw/zinc/19/39/97/860193997.db2.gz FDRXFMRNNAZFBP-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000428884294 860193999 /nfs/dbraw/zinc/19/39/99/860193999.db2.gz FDRXFMRNNAZFBP-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000921537699 860231697 /nfs/dbraw/zinc/23/16/97/860231697.db2.gz YPZGWEOWYSXNED-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP C[NH+](C)C1(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CCCCCC1 ZINC000665431311 860246358 /nfs/dbraw/zinc/24/63/58/860246358.db2.gz GNATYHWFJGIEQT-UHFFFAOYSA-N 2 1 382.552 3.540 20 0 GHADMP C[NH+](C)C1(CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CCCCCC1 ZINC000665431311 860246367 /nfs/dbraw/zinc/24/63/67/860246367.db2.gz GNATYHWFJGIEQT-UHFFFAOYSA-N 2 1 382.552 3.540 20 0 GHADMP CCN(C(=O)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000499998845 860439860 /nfs/dbraw/zinc/43/98/60/860439860.db2.gz BVPIIIUBHVHMAQ-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000499998845 860439865 /nfs/dbraw/zinc/43/98/65/860439865.db2.gz BVPIIIUBHVHMAQ-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000499998845 860439871 /nfs/dbraw/zinc/43/98/71/860439871.db2.gz BVPIIIUBHVHMAQ-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000499998845 860439877 /nfs/dbraw/zinc/43/98/77/860439877.db2.gz BVPIIIUBHVHMAQ-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP COc1nc2ccccc2cc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475355 860468072 /nfs/dbraw/zinc/46/80/72/860468072.db2.gz OBSDTRAXPVBUSV-NZQKXSOJSA-N 2 1 375.472 3.589 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116157755 860478022 /nfs/dbraw/zinc/47/80/22/860478022.db2.gz ICWPMKPAOLRKOG-QFIPXVFZSA-N 2 1 397.538 3.628 20 0 GHADMP C[C@H](NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000904588768 860511983 /nfs/dbraw/zinc/51/19/83/860511983.db2.gz XFKFALKJARPEAG-PKOBYXMFSA-N 2 1 380.536 3.913 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904624271 860524328 /nfs/dbraw/zinc/52/43/28/860524328.db2.gz UEQPZBSPYNVYPH-QHAWAJNXSA-N 2 1 378.520 3.568 20 0 GHADMP C[NH+](C)C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000673611556 860527197 /nfs/dbraw/zinc/52/71/97/860527197.db2.gz OWIQWQMJMAVDBA-HSZRJFAPSA-N 2 1 385.527 3.693 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904648232 860543407 /nfs/dbraw/zinc/54/34/07/860543407.db2.gz KAGDZCDXNAPUDG-JTSKRJEESA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904648232 860543418 /nfs/dbraw/zinc/54/34/18/860543418.db2.gz KAGDZCDXNAPUDG-JTSKRJEESA-N 2 1 395.551 3.613 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428968722 860545981 /nfs/dbraw/zinc/54/59/81/860545981.db2.gz PGVFKWDQKXXSMZ-IFMALSPDSA-N 2 1 388.600 3.848 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583696 881551951 /nfs/dbraw/zinc/55/19/51/881551951.db2.gz PHQKCRNNOGEBQU-FCHUYYIVSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583696 881551969 /nfs/dbraw/zinc/55/19/69/881551969.db2.gz PHQKCRNNOGEBQU-FCHUYYIVSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583696 881551983 /nfs/dbraw/zinc/55/19/83/881551983.db2.gz PHQKCRNNOGEBQU-FCHUYYIVSA-N 2 1 375.557 3.582 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000765749379 860566463 /nfs/dbraw/zinc/56/64/63/860566463.db2.gz MKGJEUXRMPKBFW-AZUAARDMSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000765749379 860566468 /nfs/dbraw/zinc/56/64/68/860566468.db2.gz MKGJEUXRMPKBFW-AZUAARDMSA-N 2 1 375.557 3.744 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(Cc2cccnc2)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000765749424 860566515 /nfs/dbraw/zinc/56/65/15/860566515.db2.gz MWLFQBUGVLXVHZ-ICSRJNTNSA-N 2 1 390.572 3.529 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)cc3OC)C2)ccn1 ZINC000856584194 881553812 /nfs/dbraw/zinc/55/38/12/881553812.db2.gz DUMLHMVPHUCYBT-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)cc3OC)C2)ccn1 ZINC000856584194 881553817 /nfs/dbraw/zinc/55/38/17/881553817.db2.gz DUMLHMVPHUCYBT-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3OC)C2)ccn1 ZINC000856584194 881553834 /nfs/dbraw/zinc/55/38/34/881553834.db2.gz DUMLHMVPHUCYBT-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3OC)C2)ccn1 ZINC000856584194 881553853 /nfs/dbraw/zinc/55/38/53/881553853.db2.gz DUMLHMVPHUCYBT-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168556253 860605233 /nfs/dbraw/zinc/60/52/33/860605233.db2.gz AOCPWKCVMAQPRC-CVEARBPZSA-N 2 1 393.494 3.735 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168556254 860605358 /nfs/dbraw/zinc/60/53/58/860605358.db2.gz AOCPWKCVMAQPRC-HOTGVXAUSA-N 2 1 393.494 3.735 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(-c4ccccc4)no3)C2)ccn1 ZINC000856590912 881564322 /nfs/dbraw/zinc/56/43/22/881564322.db2.gz DWOMBZFZNNNVPJ-NRFANRHFSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)ccn1 ZINC000856590912 881564326 /nfs/dbraw/zinc/56/43/26/881564326.db2.gz DWOMBZFZNNNVPJ-NRFANRHFSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)ccn1 ZINC000856590912 881564335 /nfs/dbraw/zinc/56/43/35/881564335.db2.gz DWOMBZFZNNNVPJ-NRFANRHFSA-N 2 1 392.503 3.842 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000125398254 860657549 /nfs/dbraw/zinc/65/75/49/860657549.db2.gz OKMIMXSYIRNCID-FQEVSTJZSA-N 2 1 394.563 3.554 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603883 881577608 /nfs/dbraw/zinc/57/76/08/881577608.db2.gz GAIVJOVKRAARRH-VXKWHMMOSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603883 881577619 /nfs/dbraw/zinc/57/76/19/881577619.db2.gz GAIVJOVKRAARRH-VXKWHMMOSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603883 881577629 /nfs/dbraw/zinc/57/76/29/881577629.db2.gz GAIVJOVKRAARRH-VXKWHMMOSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605524 881580783 /nfs/dbraw/zinc/58/07/83/881580783.db2.gz CNKYEQQULKPRLW-ZWKOTPCHSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605524 881580788 /nfs/dbraw/zinc/58/07/88/881580788.db2.gz CNKYEQQULKPRLW-ZWKOTPCHSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@]3(C)CC3(Cl)Cl)C2)ccn1 ZINC000856605524 881580805 /nfs/dbraw/zinc/58/08/05/881580805.db2.gz CNKYEQQULKPRLW-ZWKOTPCHSA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604577 881581932 /nfs/dbraw/zinc/58/19/32/881581932.db2.gz PCODBWIDPZNMPK-CKHPTIKVSA-N 2 1 375.557 3.721 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604577 881581944 /nfs/dbraw/zinc/58/19/44/881581944.db2.gz PCODBWIDPZNMPK-CKHPTIKVSA-N 2 1 375.557 3.721 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C3CC(OC(C)(C)C)C3)C2)ccn1 ZINC000856604577 881581953 /nfs/dbraw/zinc/58/19/53/881581953.db2.gz PCODBWIDPZNMPK-CKHPTIKVSA-N 2 1 375.557 3.721 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000600129439 861080322 /nfs/dbraw/zinc/08/03/22/861080322.db2.gz ILACZWYXMXWPDY-UHFFFAOYSA-N 2 1 381.520 3.924 20 0 GHADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(OCc2cccnc2)c1 ZINC000444001992 863127077 /nfs/dbraw/zinc/12/70/77/863127077.db2.gz ZNDUDTFIWMUCOI-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000182476061 863242557 /nfs/dbraw/zinc/24/25/57/863242557.db2.gz NWYVARRWGPWYGW-OSZJIOELSA-N 2 1 392.609 3.610 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552292 863298641 /nfs/dbraw/zinc/29/86/41/863298641.db2.gz RRNMCZPKTFWTSY-MJGOQNOKSA-N 2 1 399.510 3.856 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552292 863298651 /nfs/dbraw/zinc/29/86/51/863298651.db2.gz RRNMCZPKTFWTSY-MJGOQNOKSA-N 2 1 399.510 3.856 20 0 GHADMP COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](CCCn1ccnc1)CC2 ZINC000182623614 863304745 /nfs/dbraw/zinc/30/47/45/863304745.db2.gz GZBZEWGJGGQOOJ-OAQYLSRUSA-N 2 1 383.517 4.000 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000120644176 881651707 /nfs/dbraw/zinc/65/17/07/881651707.db2.gz KWJGUGQOASUEMW-YADARESESA-N 2 1 390.531 3.905 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000183152328 863488719 /nfs/dbraw/zinc/48/87/19/863488719.db2.gz BXQVDVFNSDAWDD-CVEARBPZSA-N 2 1 380.467 3.675 20 0 GHADMP CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000183155942 863490664 /nfs/dbraw/zinc/49/06/64/863490664.db2.gz BFXLHCDZJPKJGK-AWEZNQCLSA-N 2 1 398.536 3.664 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000665555346 863563132 /nfs/dbraw/zinc/56/31/32/863563132.db2.gz BYNUHNGIXLNIGE-GIVPXCGWSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000665555346 863563144 /nfs/dbraw/zinc/56/31/44/863563144.db2.gz BYNUHNGIXLNIGE-GIVPXCGWSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000665555346 863563150 /nfs/dbraw/zinc/56/31/50/863563150.db2.gz BYNUHNGIXLNIGE-GIVPXCGWSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444232554 863721904 /nfs/dbraw/zinc/72/19/04/863721904.db2.gz QWVSHKPHCKWEBL-PMNYKWLYSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444232554 863721909 /nfs/dbraw/zinc/72/19/09/863721909.db2.gz QWVSHKPHCKWEBL-PMNYKWLYSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444232554 863721915 /nfs/dbraw/zinc/72/19/15/863721915.db2.gz QWVSHKPHCKWEBL-PMNYKWLYSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000606635469 863726465 /nfs/dbraw/zinc/72/64/65/863726465.db2.gz HVPPNCKPBMPMMS-RTBURBONSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000606640268 863742343 /nfs/dbraw/zinc/74/23/43/863742343.db2.gz PFTFMMSOSBYDSV-HXUWFJFHSA-N 2 1 380.621 3.795 20 0 GHADMP COc1cccc([C@@H](CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[NH+](C)C)c1 ZINC000856728107 881695600 /nfs/dbraw/zinc/69/56/00/881695600.db2.gz JQDITFSCOBCYSH-JTHBVZDNSA-N 2 1 395.547 3.537 20 0 GHADMP COc1cccc([C@H](CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)[NH+](C)C)c1 ZINC000856728105 881695669 /nfs/dbraw/zinc/69/56/69/881695669.db2.gz JQDITFSCOBCYSH-GGAORHGYSA-N 2 1 395.547 3.537 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000554214402 863903834 /nfs/dbraw/zinc/90/38/34/863903834.db2.gz QCPFLDDDNBQBPL-YLJYHZDGSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@@H]1CC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053493 863915747 /nfs/dbraw/zinc/91/57/47/863915747.db2.gz OQJUWUDXUPWNKU-SJBKTWHCSA-N 2 1 383.580 3.762 20 0 GHADMP O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606902940 863926395 /nfs/dbraw/zinc/92/63/95/863926395.db2.gz GVIVURWYTMCDCD-WOJBJXKFSA-N 2 1 377.532 3.573 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000544575773 881715428 /nfs/dbraw/zinc/71/54/28/881715428.db2.gz REHFCGXKHQOTIC-LLGFUMIMSA-N 2 1 390.959 3.642 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000544575773 881715445 /nfs/dbraw/zinc/71/54/45/881715445.db2.gz REHFCGXKHQOTIC-LLGFUMIMSA-N 2 1 390.959 3.642 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000158949751 863996619 /nfs/dbraw/zinc/99/66/19/863996619.db2.gz AFTWRUDAYQIXMS-QUCCMNQESA-N 2 1 380.598 3.602 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000159019612 864011890 /nfs/dbraw/zinc/01/18/90/864011890.db2.gz OLJAGGIZMRBZEB-DENIHFKCSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000159019612 864011909 /nfs/dbraw/zinc/01/19/09/864011909.db2.gz OLJAGGIZMRBZEB-DENIHFKCSA-N 2 1 399.579 3.603 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 ZINC000159117970 864037231 /nfs/dbraw/zinc/03/72/31/864037231.db2.gz JGAWUYHFIZIWNZ-VGSWGCGISA-N 2 1 376.504 3.531 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475133771 864268635 /nfs/dbraw/zinc/26/86/35/864268635.db2.gz AWMDOFFNBXOGLA-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475133771 864268651 /nfs/dbraw/zinc/26/86/51/864268651.db2.gz AWMDOFFNBXOGLA-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475133771 864268666 /nfs/dbraw/zinc/26/86/66/864268666.db2.gz AWMDOFFNBXOGLA-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CCCO1 ZINC000494459070 881751293 /nfs/dbraw/zinc/75/12/93/881751293.db2.gz TZLUSZOVGMTKTL-LSJNQWAISA-N 2 1 381.358 3.786 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CCCO1 ZINC000494459070 881751303 /nfs/dbraw/zinc/75/13/03/881751303.db2.gz TZLUSZOVGMTKTL-LSJNQWAISA-N 2 1 381.358 3.786 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c2ccccc21 ZINC000621749562 864373817 /nfs/dbraw/zinc/37/38/17/864373817.db2.gz AGRRVGNKTXYVKC-FQEVSTJZSA-N 2 1 378.451 3.907 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)[nH+]c1 ZINC000163477127 864522339 /nfs/dbraw/zinc/52/23/39/864522339.db2.gz GTSQXRKIKSVVSP-LJQANCHMSA-N 3 1 382.552 3.650 20 0 GHADMP Brc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000480360027 864549169 /nfs/dbraw/zinc/54/91/69/864549169.db2.gz SKMWHDKAOUGFJN-UHFFFAOYSA-N 2 1 379.298 3.807 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3CCN(c4ccccc4)CC3)sc2C1 ZINC000475275384 864678362 /nfs/dbraw/zinc/67/83/62/864678362.db2.gz GAYPNJMKEIMUJL-UHFFFAOYSA-N 2 1 384.593 3.916 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3CCN(c4ccccc4)CC3)sc2C1 ZINC000475275384 864678370 /nfs/dbraw/zinc/67/83/70/864678370.db2.gz GAYPNJMKEIMUJL-UHFFFAOYSA-N 2 1 384.593 3.916 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000167306239 864776379 /nfs/dbraw/zinc/77/63/79/864776379.db2.gz BBUMKBCSDDDFNK-QHCPKHFHSA-N 2 1 379.548 3.837 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168061302 864782812 /nfs/dbraw/zinc/78/28/12/864782812.db2.gz ZVFGYCMGIXFEME-SBHAEUEKSA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168061302 864782820 /nfs/dbraw/zinc/78/28/20/864782820.db2.gz ZVFGYCMGIXFEME-SBHAEUEKSA-N 2 1 386.584 3.600 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nccn1Cc1ccccc1 ZINC000480558793 864860898 /nfs/dbraw/zinc/86/08/98/864860898.db2.gz SSWGUHXRFKZYLM-XUZZJYLKSA-N 2 1 388.559 3.974 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000475363619 864868028 /nfs/dbraw/zinc/86/80/28/864868028.db2.gz WWWGZCJVEBMAAP-JSRJAPPDSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000480606754 864964258 /nfs/dbraw/zinc/96/42/58/864964258.db2.gz FCBMRCJQSNMPSY-XXBNENTESA-N 2 1 377.532 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000480606754 864964264 /nfs/dbraw/zinc/96/42/64/864964264.db2.gz FCBMRCJQSNMPSY-XXBNENTESA-N 2 1 377.532 3.814 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480679482 865101835 /nfs/dbraw/zinc/10/18/35/865101835.db2.gz VEDAZJDYULKSRW-KHUIQGCPSA-N 2 1 387.612 3.796 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc(OC)cc43)cc2)CC1 ZINC000480725077 865173639 /nfs/dbraw/zinc/17/36/39/865173639.db2.gz XAKIYWPZZPYLBT-VWLOTQADSA-N 2 1 393.575 4.000 20 0 GHADMP COCCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC001168364250 865241524 /nfs/dbraw/zinc/24/15/24/865241524.db2.gz ALPPGVNVEVZIIP-UHFFFAOYSA-N 2 1 386.458 3.695 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000480781534 865257869 /nfs/dbraw/zinc/25/78/69/865257869.db2.gz UUYLSCPPSWGGHP-OAQYLSRUSA-N 2 1 393.575 3.881 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1C ZINC000301423164 865353812 /nfs/dbraw/zinc/35/38/12/865353812.db2.gz JLXAFIOVECWOAY-SJORKVTESA-N 2 1 385.581 3.577 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2c1C ZINC000301423164 865353828 /nfs/dbraw/zinc/35/38/28/865353828.db2.gz JLXAFIOVECWOAY-SJORKVTESA-N 2 1 385.581 3.577 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1C ZINC000301423164 865353845 /nfs/dbraw/zinc/35/38/45/865353845.db2.gz JLXAFIOVECWOAY-SJORKVTESA-N 2 1 385.581 3.577 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c1C ZINC000301701880 865499997 /nfs/dbraw/zinc/49/99/97/865499997.db2.gz GIBDMNKNZZKAHV-ROUUACIJSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1C ZINC000301701880 865500006 /nfs/dbraw/zinc/50/00/06/865500006.db2.gz GIBDMNKNZZKAHV-ROUUACIJSA-N 2 1 399.608 3.824 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000667788804 865567834 /nfs/dbraw/zinc/56/78/34/865567834.db2.gz CNVCTTRKEZWXHG-YMPZKCBVSA-N 2 1 392.547 3.828 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000481113198 865814031 /nfs/dbraw/zinc/81/40/31/865814031.db2.gz IFPYSHVAUBPVIY-JBACZVJFSA-N 2 1 398.551 3.673 20 0 GHADMP COc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Br ZINC000173953838 865859734 /nfs/dbraw/zinc/85/97/34/865859734.db2.gz XVYOAJXENHHSRD-UHFFFAOYSA-N 2 1 397.357 3.535 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)c2)CCO1 ZINC000185280821 865907757 /nfs/dbraw/zinc/90/77/57/865907757.db2.gz OBDLPUCCARAITL-HNNXBMFYSA-N 2 1 389.883 3.759 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)c2)CCO1 ZINC000185280821 865907768 /nfs/dbraw/zinc/90/77/68/865907768.db2.gz OBDLPUCCARAITL-HNNXBMFYSA-N 2 1 389.883 3.759 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C)cc2-c2cnn(C)c2)CC1 ZINC000555338375 865926954 /nfs/dbraw/zinc/92/69/54/865926954.db2.gz YYERLIJZDMFUBS-UHFFFAOYSA-N 2 1 398.595 3.966 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481181902 865943259 /nfs/dbraw/zinc/94/32/59/865943259.db2.gz OIPIHSWTBRWUAT-DPLHUUCSSA-N 2 1 393.575 3.542 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481181902 865943271 /nfs/dbraw/zinc/94/32/71/865943271.db2.gz OIPIHSWTBRWUAT-DPLHUUCSSA-N 2 1 393.575 3.542 20 0 GHADMP CCOC1CC(CNc2c3ccccc3[nH+]c(C)c2CC)([NH+]2CCOCC2)C1 ZINC000302832897 865947831 /nfs/dbraw/zinc/94/78/31/865947831.db2.gz RURJHJBWSFECHT-UHFFFAOYSA-N 2 1 383.536 3.787 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000623086790 866006252 /nfs/dbraw/zinc/00/62/52/866006252.db2.gz KMNPJCFEICSWLX-AWEZNQCLSA-N 2 1 381.320 3.624 20 0 GHADMP Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665761170 866161276 /nfs/dbraw/zinc/16/12/76/866161276.db2.gz ZJTYTZBQKLJXBU-RDJZCZTQSA-N 2 1 397.633 3.549 20 0 GHADMP Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665761170 866161279 /nfs/dbraw/zinc/16/12/79/866161279.db2.gz ZJTYTZBQKLJXBU-RDJZCZTQSA-N 2 1 397.633 3.549 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456322678 866436053 /nfs/dbraw/zinc/43/60/53/866436053.db2.gz DQWXHCMLLPGYLO-NRFANRHFSA-N 2 1 391.559 3.877 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000655720702 866503710 /nfs/dbraw/zinc/50/37/10/866503710.db2.gz DHBIGMBTFOZEOO-INIZCTEOSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000655720702 866503712 /nfs/dbraw/zinc/50/37/12/866503712.db2.gz DHBIGMBTFOZEOO-INIZCTEOSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000655720702 866503723 /nfs/dbraw/zinc/50/37/23/866503723.db2.gz DHBIGMBTFOZEOO-INIZCTEOSA-N 2 1 391.357 3.763 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCCO2 ZINC000153476719 866506374 /nfs/dbraw/zinc/50/63/74/866506374.db2.gz BSGJDJDWHIORKP-OALUTQOASA-N 2 1 396.531 3.919 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCCO2 ZINC000153476719 866506388 /nfs/dbraw/zinc/50/63/88/866506388.db2.gz BSGJDJDWHIORKP-OALUTQOASA-N 2 1 396.531 3.919 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000793202016 881983728 /nfs/dbraw/zinc/98/37/28/881983728.db2.gz CQIPMISHINATAX-VAMGGRTRSA-N 2 1 394.506 3.855 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000534347244 866593548 /nfs/dbraw/zinc/59/35/48/866593548.db2.gz BGHABYZRWHRAMU-QGZVFWFLSA-N 2 1 381.524 3.512 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1)C1CC[NH+](C)CC1 ZINC000534337236 866613439 /nfs/dbraw/zinc/61/34/39/866613439.db2.gz QHUDQKBNNLNMHJ-IBGZPJMESA-N 2 1 399.501 3.760 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000620310702 866652495 /nfs/dbraw/zinc/65/24/95/866652495.db2.gz PZVSFMBSBOZMLA-SKWRMQMOSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000620310702 866652504 /nfs/dbraw/zinc/65/25/04/866652504.db2.gz PZVSFMBSBOZMLA-SKWRMQMOSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000620310702 866652517 /nfs/dbraw/zinc/65/25/17/866652517.db2.gz PZVSFMBSBOZMLA-SKWRMQMOSA-N 2 1 383.580 3.762 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170427664 882007293 /nfs/dbraw/zinc/00/72/93/882007293.db2.gz ASBDORVVEWATIQ-HMXCVIKNSA-N 2 1 381.520 3.904 20 0 GHADMP CCCCOC(=O)[C@@H](C)[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000741788309 866790058 /nfs/dbraw/zinc/79/00/58/866790058.db2.gz UFSVXPPSANCEKT-QGZVFWFLSA-N 2 1 376.545 3.506 20 0 GHADMP CCCCOC(=O)[C@@H](C)[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000741788309 866790066 /nfs/dbraw/zinc/79/00/66/866790066.db2.gz UFSVXPPSANCEKT-QGZVFWFLSA-N 2 1 376.545 3.506 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000121268863 882016381 /nfs/dbraw/zinc/01/63/81/882016381.db2.gz NFVYBSVQDAJCHF-JTSKRJEESA-N 2 1 391.519 3.844 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4ccsc4)cc3)CC2)CC1 ZINC000444659834 867012982 /nfs/dbraw/zinc/01/29/82/867012982.db2.gz FGTAGLYHFHAMNS-UHFFFAOYSA-N 2 1 397.588 3.791 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CCOCC2)cc1 ZINC000153694451 867028957 /nfs/dbraw/zinc/02/89/57/867028957.db2.gz QNGQFYVMOLQAEW-UWJYYQICSA-N 2 1 396.560 3.966 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000523311733 867049382 /nfs/dbraw/zinc/04/93/82/867049382.db2.gz YDBLGZXDRLMEQJ-RTWAWAEBSA-N 2 1 386.499 3.729 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000479037456 867049461 /nfs/dbraw/zinc/04/94/61/867049461.db2.gz AJNSWPDAKXPPNC-QGZVFWFLSA-N 2 1 383.540 3.663 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000523329530 867085040 /nfs/dbraw/zinc/08/50/40/867085040.db2.gz YTFSOEROVQZBGB-KDURUIRLSA-N 2 1 379.976 3.599 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000523329530 867085053 /nfs/dbraw/zinc/08/50/53/867085053.db2.gz YTFSOEROVQZBGB-KDURUIRLSA-N 2 1 379.976 3.599 20 0 GHADMP FC(F)(F)C[C@H]1CC[N@H+](CC2(C[NH+]3CC[C@@H](CC(F)(F)F)C3)COC2)C1 ZINC000444705617 867094285 /nfs/dbraw/zinc/09/42/85/867094285.db2.gz NPBHWBXJROICED-OKILXGFUSA-N 2 1 388.396 3.552 20 0 GHADMP FC(F)(F)C[C@H]1CC[N@@H+](CC2(C[NH+]3CC[C@@H](CC(F)(F)F)C3)COC2)C1 ZINC000444705617 867094302 /nfs/dbraw/zinc/09/43/02/867094302.db2.gz NPBHWBXJROICED-OKILXGFUSA-N 2 1 388.396 3.552 20 0 GHADMP FC(F)(F)C[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)COC2)C1 ZINC000444705617 867094319 /nfs/dbraw/zinc/09/43/19/867094319.db2.gz NPBHWBXJROICED-OKILXGFUSA-N 2 1 388.396 3.552 20 0 GHADMP FC(F)(F)C[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)COC2)C1 ZINC000444705617 867094334 /nfs/dbraw/zinc/09/43/34/867094334.db2.gz NPBHWBXJROICED-OKILXGFUSA-N 2 1 388.396 3.552 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000523469698 867354243 /nfs/dbraw/zinc/35/42/43/867354243.db2.gz DGTWBBJEAOSDNY-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000523469698 867354262 /nfs/dbraw/zinc/35/42/62/867354262.db2.gz DGTWBBJEAOSDNY-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000523469698 867354280 /nfs/dbraw/zinc/35/42/80/867354280.db2.gz DGTWBBJEAOSDNY-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2)C1 ZINC000857172108 882080820 /nfs/dbraw/zinc/08/08/20/882080820.db2.gz KYFYKPXSIOHAOG-JOCHJYFZSA-N 2 1 392.547 3.537 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000121341591 882082117 /nfs/dbraw/zinc/08/21/17/882082117.db2.gz OBHJTFVEOXJSEU-QGZVFWFLSA-N 2 1 391.519 3.803 20 0 GHADMP CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523638885 867707133 /nfs/dbraw/zinc/70/71/33/867707133.db2.gz JKGNXYMIVBFNAJ-NRFANRHFSA-N 2 1 397.588 3.970 20 0 GHADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523638885 867707150 /nfs/dbraw/zinc/70/71/50/867707150.db2.gz JKGNXYMIVBFNAJ-NRFANRHFSA-N 2 1 397.588 3.970 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCC(C)(C)C2)[C@H]1c1cccs1 ZINC000445138432 867855658 /nfs/dbraw/zinc/85/56/58/867855658.db2.gz QCMLNKPYVVWDLY-HKUYNNGSSA-N 2 1 392.613 3.552 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[C@H]1c1cccs1 ZINC000445138432 867855672 /nfs/dbraw/zinc/85/56/72/867855672.db2.gz QCMLNKPYVVWDLY-HKUYNNGSSA-N 2 1 392.613 3.552 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)[C@H]1c1cccs1 ZINC000445138432 867855697 /nfs/dbraw/zinc/85/56/97/867855697.db2.gz QCMLNKPYVVWDLY-HKUYNNGSSA-N 2 1 392.613 3.552 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000553807418 868260312 /nfs/dbraw/zinc/26/03/12/868260312.db2.gz RRPWQVUBXUTGJR-DEOSSOPVSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc1)C1CC1 ZINC000156713794 868444789 /nfs/dbraw/zinc/44/47/89/868444789.db2.gz KXAMRPVQXJRHMW-UHFFFAOYSA-N 2 1 375.476 3.812 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)cc1)C1CC1 ZINC000156713794 868444795 /nfs/dbraw/zinc/44/47/95/868444795.db2.gz KXAMRPVQXJRHMW-UHFFFAOYSA-N 2 1 375.476 3.812 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000156913004 868499807 /nfs/dbraw/zinc/49/98/07/868499807.db2.gz KXURVIULCHTDFN-XXBNENTESA-N 2 1 379.548 3.852 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCSCC5)C4)[C@@H]3C2)cc1 ZINC000272611436 868511913 /nfs/dbraw/zinc/51/19/13/868511913.db2.gz WIRPPEWGGVDVLH-KJJMTIBFSA-N 2 1 386.605 3.931 20 0 GHADMP CC(C)[NH2+]CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000553950300 868521522 /nfs/dbraw/zinc/52/15/22/868521522.db2.gz ADTAJHAIAVHBPI-UHFFFAOYSA-N 2 1 389.540 3.587 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CNC[C@H](C3CC3)[NH+](C)Cc3ccccc3)sc2C1 ZINC000479875995 868640762 /nfs/dbraw/zinc/64/07/62/868640762.db2.gz NAAVTNFOBYJAPV-OAQYLSRUSA-N 2 1 398.620 3.910 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@H](C3CC3)[N@H+](C)Cc3ccccc3)sc2C1 ZINC000479875995 868640767 /nfs/dbraw/zinc/64/07/67/868640767.db2.gz NAAVTNFOBYJAPV-OAQYLSRUSA-N 2 1 398.620 3.910 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@H](C3CC3)[N@@H+](C)Cc3ccccc3)sc2C1 ZINC000479875995 868640770 /nfs/dbraw/zinc/64/07/70/868640770.db2.gz NAAVTNFOBYJAPV-OAQYLSRUSA-N 2 1 398.620 3.910 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000157433070 868653394 /nfs/dbraw/zinc/65/33/94/868653394.db2.gz QRJAYLOIVZZBMY-GMAHTHKFSA-N 2 1 398.595 3.555 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000157574524 868691151 /nfs/dbraw/zinc/69/11/51/868691151.db2.gz DCYHVANPEKLNFX-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CN1CCC([N@@H+](CCO)Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000155501920 868828843 /nfs/dbraw/zinc/82/88/43/868828843.db2.gz RQPJISQWBSSWTJ-UHFFFAOYSA-N 2 1 376.447 3.646 20 0 GHADMP C[NH+]1CCC(N(CCO)Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000155501920 868828861 /nfs/dbraw/zinc/82/88/61/868828861.db2.gz RQPJISQWBSSWTJ-UHFFFAOYSA-N 2 1 376.447 3.646 20 0 GHADMP CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000462243511 869083163 /nfs/dbraw/zinc/08/31/63/869083163.db2.gz DPGDYQKMUZURAV-UYAOXDASSA-N 2 1 396.535 3.568 20 0 GHADMP CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000462243511 869083171 /nfs/dbraw/zinc/08/31/71/869083171.db2.gz DPGDYQKMUZURAV-UYAOXDASSA-N 2 1 396.535 3.568 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000429544013 882314079 /nfs/dbraw/zinc/31/40/79/882314079.db2.gz ZPIPFCOOCJEQHX-PMACEKPBSA-N 2 1 384.520 3.635 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000429544013 882314098 /nfs/dbraw/zinc/31/40/98/882314098.db2.gz ZPIPFCOOCJEQHX-PMACEKPBSA-N 2 1 384.520 3.635 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818345 869846765 /nfs/dbraw/zinc/84/67/65/869846765.db2.gz WSHKWKATMZNALW-GOEBONIOSA-N 2 1 397.357 3.915 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818345 869846778 /nfs/dbraw/zinc/84/67/78/869846778.db2.gz WSHKWKATMZNALW-GOEBONIOSA-N 2 1 397.357 3.915 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818345 869846792 /nfs/dbraw/zinc/84/67/92/869846792.db2.gz WSHKWKATMZNALW-GOEBONIOSA-N 2 1 397.357 3.915 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)C[C@@H]1C ZINC000539818345 869846802 /nfs/dbraw/zinc/84/68/02/869846802.db2.gz WSHKWKATMZNALW-GOEBONIOSA-N 2 1 397.357 3.915 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000539872087 869941141 /nfs/dbraw/zinc/94/11/41/869941141.db2.gz GHNOVVYVZYLKHA-DENIHFKCSA-N 2 1 386.584 3.907 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000462740057 869997244 /nfs/dbraw/zinc/99/72/44/869997244.db2.gz REPZQIMPTYWLFY-GOTSBHOMSA-N 2 1 398.595 3.559 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000462798377 870114773 /nfs/dbraw/zinc/11/47/73/870114773.db2.gz KVFOYJBVPCYATB-WXFUMESZSA-N 2 1 385.596 3.509 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1csc(-c2ccccc2F)n1 ZINC000462808215 870133301 /nfs/dbraw/zinc/13/33/01/870133301.db2.gz OGKZPLOUUPGOCO-HOTGVXAUSA-N 2 1 377.529 3.837 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000469989710 870243455 /nfs/dbraw/zinc/24/34/55/870243455.db2.gz DIGPDLNXUIVZNS-HIFRSBDPSA-N 2 1 377.330 3.502 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)CC[N@H+]1Cc1ccccc1 ZINC000462875413 870275736 /nfs/dbraw/zinc/27/57/36/870275736.db2.gz RQLODCYVYKHMFA-FOVJLYNBSA-N 2 1 379.548 3.718 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC[NH+]1Cc1ccccc1 ZINC000462875413 870275751 /nfs/dbraw/zinc/27/57/51/870275751.db2.gz RQLODCYVYKHMFA-FOVJLYNBSA-N 2 1 379.548 3.718 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC[NH+]1Cc1ccccc1 ZINC000462875413 870275766 /nfs/dbraw/zinc/27/57/66/870275766.db2.gz RQLODCYVYKHMFA-FOVJLYNBSA-N 2 1 379.548 3.718 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000248064060 870277098 /nfs/dbraw/zinc/27/70/98/870277098.db2.gz ZDQAOTSNRFFZNX-AKFKNWHVSA-N 2 1 380.532 3.509 20 0 GHADMP CCOc1ccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000540045229 870301533 /nfs/dbraw/zinc/30/15/33/870301533.db2.gz ACNBHZHHGFCNGW-UHFFFAOYSA-N 2 1 396.535 3.657 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1OC(F)F ZINC000248172138 870309159 /nfs/dbraw/zinc/30/91/59/870309159.db2.gz UZEKVBHIECFSQQ-HIFRSBDPSA-N 2 1 376.875 3.829 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000538696791 870325699 /nfs/dbraw/zinc/32/56/99/870325699.db2.gz IIGAQRKVUHUKPQ-HSZRJFAPSA-N 2 1 383.580 3.812 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)[C@@H](C)C1 ZINC000248422743 870402330 /nfs/dbraw/zinc/40/23/30/870402330.db2.gz MUSZICVDXAQZSE-SPEDKVCISA-N 2 1 399.579 3.760 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(OC(F)F)c1 ZINC000248438570 870423050 /nfs/dbraw/zinc/42/30/50/870423050.db2.gz HVKIZZBKBCAJMB-HNAYVOBHSA-N 2 1 376.447 3.705 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(Br)c1 ZINC000248458831 870434370 /nfs/dbraw/zinc/43/43/70/870434370.db2.gz VETROZUYYWFJQB-MGPUTAFESA-N 2 1 389.337 3.867 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@](C)(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000538729389 870447963 /nfs/dbraw/zinc/44/79/63/870447963.db2.gz LWZONAJUVCJBHN-VWLOTQADSA-N 2 1 393.575 3.965 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000122111834 882418868 /nfs/dbraw/zinc/41/88/68/882418868.db2.gz XPVSGIAYHHZUFF-OALUTQOASA-N 2 1 382.552 3.669 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616123 870539790 /nfs/dbraw/zinc/53/97/90/870539790.db2.gz YZQGYAYIPKZINF-ABSDTBQOSA-N 2 1 389.609 3.827 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248616123 870539798 /nfs/dbraw/zinc/53/97/98/870539798.db2.gz YZQGYAYIPKZINF-ABSDTBQOSA-N 2 1 389.609 3.827 20 0 GHADMP Cc1ncc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1-c1ccccc1 ZINC000538763375 870604835 /nfs/dbraw/zinc/60/48/35/870604835.db2.gz ADAAAYDUTIFPNR-BGYRXZFFSA-N 2 1 396.579 3.892 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000248842752 870660189 /nfs/dbraw/zinc/66/01/89/870660189.db2.gz OJSYAAYWXHOVAL-KXBFYZLASA-N 2 1 381.358 3.848 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000249285548 870802330 /nfs/dbraw/zinc/80/23/30/870802330.db2.gz LNUKQUBRYPIDRM-HLIPFELVSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000249285548 870802343 /nfs/dbraw/zinc/80/23/43/870802343.db2.gz LNUKQUBRYPIDRM-HLIPFELVSA-N 2 1 395.975 3.702 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)C[C@H](C)O1 ZINC000540244612 870844969 /nfs/dbraw/zinc/84/49/69/870844969.db2.gz CFIFDDVHQNRRDU-HYFFOGBASA-N 2 1 392.971 3.918 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)C[C@H](C)O1 ZINC000540244612 870844975 /nfs/dbraw/zinc/84/49/75/870844975.db2.gz CFIFDDVHQNRRDU-HYFFOGBASA-N 2 1 392.971 3.918 20 0 GHADMP CC(=O)c1ccc(NC(=O)CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000249496515 870845497 /nfs/dbraw/zinc/84/54/97/870845497.db2.gz WFJANQPAZWWAAA-PFWHTEFJSA-N 2 1 393.531 3.574 20 0 GHADMP CC(C)c1ccnc(N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC001168957469 871055940 /nfs/dbraw/zinc/05/59/40/871055940.db2.gz DFJQOBOKTFOZOU-UHFFFAOYSA-N 2 1 393.579 3.908 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1 ZINC000525607298 871104956 /nfs/dbraw/zinc/10/49/56/871104956.db2.gz CHIWNIKJNGCYIH-UHFFFAOYSA-N 2 1 393.575 3.748 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc3ccccc3s2)[C@@H](C)C1 ZINC000766575370 871158814 /nfs/dbraw/zinc/15/88/14/871158814.db2.gz KDOFPTWHQSYDTR-WDSOQIARSA-N 2 1 376.566 3.661 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CN(C(c3ccccc3)c3ccccc3)C1)C2 ZINC001169099936 871175546 /nfs/dbraw/zinc/17/55/46/871175546.db2.gz XAONZVPAIUQYOB-BKFWDETESA-N 2 1 375.560 3.923 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC1C[NH+](C(c3ccccc3)c3ccccc3)C1)C2 ZINC001169099936 871175554 /nfs/dbraw/zinc/17/55/54/871175554.db2.gz XAONZVPAIUQYOB-BKFWDETESA-N 2 1 375.560 3.923 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC1C[NH+](C(c3ccccc3)c3ccccc3)C1)C2 ZINC001169099936 871175562 /nfs/dbraw/zinc/17/55/62/871175562.db2.gz XAONZVPAIUQYOB-BKFWDETESA-N 2 1 375.560 3.923 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000539059136 871195923 /nfs/dbraw/zinc/19/59/23/871195923.db2.gz CKASGWPHRYNSMO-HSALFYBXSA-N 2 1 378.944 3.830 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449080910 871197355 /nfs/dbraw/zinc/19/73/55/871197355.db2.gz AGIINMGBRRVALX-GOSISDBHSA-N 2 1 386.561 3.612 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC001193648669 871215043 /nfs/dbraw/zinc/21/50/43/871215043.db2.gz HSNUSUXUHLANCW-RXVVDRJESA-N 2 1 390.568 3.869 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@@H](C)C1 ZINC001193648669 871215062 /nfs/dbraw/zinc/21/50/62/871215062.db2.gz HSNUSUXUHLANCW-RXVVDRJESA-N 2 1 390.568 3.869 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cccc(Br)c3)CC1)C2 ZINC001169109472 871234805 /nfs/dbraw/zinc/23/48/05/871234805.db2.gz IWQWUOQJRXRUNH-OWZKRDHZSA-N 2 1 392.385 3.628 20 0 GHADMP C[C@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241640 871240204 /nfs/dbraw/zinc/24/02/04/871240204.db2.gz CWWVZCUOKAOLEC-JDBUVZGPSA-N 2 1 391.559 3.819 20 0 GHADMP C[C@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241640 871240223 /nfs/dbraw/zinc/24/02/23/871240223.db2.gz CWWVZCUOKAOLEC-JDBUVZGPSA-N 2 1 391.559 3.819 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716732269 871283678 /nfs/dbraw/zinc/28/36/78/871283678.db2.gz JXESGVCMARACBK-BQJUDKOJSA-N 2 1 385.552 3.639 20 0 GHADMP CC[NH+]1CCC([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001169245833 871345219 /nfs/dbraw/zinc/34/52/19/871345219.db2.gz JSOQXEHVVFPOFC-XLIONFOSSA-N 2 1 385.552 3.941 20 0 GHADMP CC[NH+]1CCC([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001169245833 871345241 /nfs/dbraw/zinc/34/52/41/871345241.db2.gz JSOQXEHVVFPOFC-XLIONFOSSA-N 2 1 385.552 3.941 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169250560 871350252 /nfs/dbraw/zinc/35/02/52/871350252.db2.gz QBDOJLARQSVBAN-RTBURBONSA-N 2 1 379.589 3.830 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169250560 871350274 /nfs/dbraw/zinc/35/02/74/871350274.db2.gz QBDOJLARQSVBAN-RTBURBONSA-N 2 1 379.589 3.830 20 0 GHADMP Cc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000447316310 871363624 /nfs/dbraw/zinc/36/36/24/871363624.db2.gz XNXAISHYEWRWKU-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP Cc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1 ZINC000447316310 871363640 /nfs/dbraw/zinc/36/36/40/871363640.db2.gz XNXAISHYEWRWKU-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP CN1C[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)Cc2ccccc21 ZINC000463290344 871385262 /nfs/dbraw/zinc/38/52/62/871385262.db2.gz SELSEQPFVBFJDS-FQEVSTJZSA-N 2 1 381.539 3.731 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462001142 871422376 /nfs/dbraw/zinc/42/23/76/871422376.db2.gz GSGCAIXCBBDAID-KCZVDYSFSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462001142 871422387 /nfs/dbraw/zinc/42/23/87/871422387.db2.gz GSGCAIXCBBDAID-KCZVDYSFSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462001142 871422405 /nfs/dbraw/zinc/42/24/05/871422405.db2.gz GSGCAIXCBBDAID-KCZVDYSFSA-N 2 1 388.600 3.801 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CC2)cc1 ZINC000539164464 871427067 /nfs/dbraw/zinc/42/70/67/871427067.db2.gz QVVMNGCXRMMGGX-QHCPKHFHSA-N 2 1 377.532 3.624 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191580584 882523306 /nfs/dbraw/zinc/52/33/06/882523306.db2.gz SOCGGOLGPLFPMW-QHCPKHFHSA-N 2 1 380.532 3.722 20 0 GHADMP Nc1cc[nH+]c2cc(N[C@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)ccc12 ZINC001169523383 871599116 /nfs/dbraw/zinc/59/91/16/871599116.db2.gz VTMRXHLZXHQJET-VGSWGCGISA-N 2 1 390.487 3.688 20 0 GHADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000462112766 871636203 /nfs/dbraw/zinc/63/62/03/871636203.db2.gz STADYAJNMXEFQY-UHFFFAOYSA-N 2 1 395.385 3.961 20 0 GHADMP CC[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000539296075 871658970 /nfs/dbraw/zinc/65/89/70/871658970.db2.gz XTKCPIUOVXPUKO-JQVVWYNYSA-N 2 1 384.568 3.670 20 0 GHADMP CCC[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)C(C)(C)C ZINC001194426499 871691227 /nfs/dbraw/zinc/69/12/27/871691227.db2.gz KNLDPDJAKRZBCO-NRFANRHFSA-N 2 1 389.584 3.534 20 0 GHADMP CCC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C(C)(C)C ZINC001194426499 871691239 /nfs/dbraw/zinc/69/12/39/871691239.db2.gz KNLDPDJAKRZBCO-NRFANRHFSA-N 2 1 389.584 3.534 20 0 GHADMP [NH3+]C1CCN(c2nc(NC3(c4ccccc4C(F)(F)F)CC3)cc[nH+]2)CC1 ZINC001169635634 871698932 /nfs/dbraw/zinc/69/89/32/871698932.db2.gz WWYDWLLGYJJPBB-UHFFFAOYSA-N 2 1 377.414 3.524 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2cc(C)cc(C)c2)cc1 ZINC000539362439 871831565 /nfs/dbraw/zinc/83/15/65/871831565.db2.gz QRQDIXWCPCCMMQ-AVRDEDQJSA-N 2 1 379.504 3.888 20 0 GHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169959840 872054973 /nfs/dbraw/zinc/05/49/73/872054973.db2.gz SAOAQORTAKUHPX-HXUWFJFHSA-N 2 1 378.944 3.922 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169959840 872054994 /nfs/dbraw/zinc/05/49/94/872054994.db2.gz SAOAQORTAKUHPX-HXUWFJFHSA-N 2 1 378.944 3.922 20 0 GHADMP C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195075556 872157963 /nfs/dbraw/zinc/15/79/63/872157963.db2.gz VHLULSWTUUVECS-VQIMIIECSA-N 2 1 377.960 3.856 20 0 GHADMP C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195075556 872157969 /nfs/dbraw/zinc/15/79/69/872157969.db2.gz VHLULSWTUUVECS-VQIMIIECSA-N 2 1 377.960 3.856 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552200030 872195714 /nfs/dbraw/zinc/19/57/14/872195714.db2.gz RWAPIOQKMXJARL-QHCPKHFHSA-N 2 1 395.591 3.908 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000478048378 872420889 /nfs/dbraw/zinc/42/08/89/872420889.db2.gz VPYRTIPLJRUFNC-WMZHIEFXSA-N 2 1 383.580 3.983 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000093844241 872448927 /nfs/dbraw/zinc/44/89/27/872448927.db2.gz IHVLGHIWCPAATH-KDURUIRLSA-N 2 1 382.552 3.788 20 0 GHADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552356273 872486198 /nfs/dbraw/zinc/48/61/98/872486198.db2.gz KWJQDRUJCBFATR-DEOSSOPVSA-N 2 1 387.531 3.852 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552356273 872486213 /nfs/dbraw/zinc/48/62/13/872486213.db2.gz KWJQDRUJCBFATR-DEOSSOPVSA-N 2 1 387.531 3.852 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552356273 872486226 /nfs/dbraw/zinc/48/62/26/872486226.db2.gz KWJQDRUJCBFATR-DEOSSOPVSA-N 2 1 387.531 3.852 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000552356273 872486235 /nfs/dbraw/zinc/48/62/35/872486235.db2.gz KWJQDRUJCBFATR-DEOSSOPVSA-N 2 1 387.531 3.852 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@H]1C ZINC000619428823 872640889 /nfs/dbraw/zinc/64/08/89/872640889.db2.gz XMAROVHTUGJUSI-FXPVULCDSA-N 2 1 384.564 3.855 20 0 GHADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000552457822 872662954 /nfs/dbraw/zinc/66/29/54/872662954.db2.gz GNISPFIAHVSVPQ-XMMPIXPASA-N 2 1 391.559 3.671 20 0 GHADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1Cc1ccccc1 ZINC000552457822 872662959 /nfs/dbraw/zinc/66/29/59/872662959.db2.gz GNISPFIAHVSVPQ-XMMPIXPASA-N 2 1 391.559 3.671 20 0 GHADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1c1ccc(Cl)c(F)c1 ZINC000552579011 872846624 /nfs/dbraw/zinc/84/66/24/872846624.db2.gz OUQYCFIQYDIJKO-OAHLLOKOSA-N 2 1 379.907 3.581 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000775688004 872905878 /nfs/dbraw/zinc/90/58/78/872905878.db2.gz FUXNTXRFSNFVQG-STZQEDGTSA-N 2 1 379.504 3.512 20 0 GHADMP FC(F)(F)CN1CCC(Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)CC1 ZINC001170446354 882724408 /nfs/dbraw/zinc/72/44/08/882724408.db2.gz XXRPFCBDEFLUSJ-KRWDZBQOSA-N 2 1 395.473 3.790 20 0 GHADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541422255 873530188 /nfs/dbraw/zinc/53/01/88/873530188.db2.gz DYSILWCXOGIPFF-TZIWHRDSSA-N 2 1 398.595 3.684 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541422255 873530200 /nfs/dbraw/zinc/53/02/00/873530200.db2.gz DYSILWCXOGIPFF-TZIWHRDSSA-N 2 1 398.595 3.684 20 0 GHADMP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000448551155 873564482 /nfs/dbraw/zinc/56/44/82/873564482.db2.gz GLMHHLRHJGCTTO-MLGOLLRUSA-N 2 1 395.391 3.765 20 0 GHADMP C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000448551155 873564492 /nfs/dbraw/zinc/56/44/92/873564492.db2.gz GLMHHLRHJGCTTO-MLGOLLRUSA-N 2 1 395.391 3.765 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197212284 873653092 /nfs/dbraw/zinc/65/30/92/873653092.db2.gz LNSVUSRQOFLHSZ-NRFANRHFSA-N 2 1 378.561 3.845 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197212284 873653097 /nfs/dbraw/zinc/65/30/97/873653097.db2.gz LNSVUSRQOFLHSZ-NRFANRHFSA-N 2 1 378.561 3.845 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2=O)c1 ZINC000541599423 873917441 /nfs/dbraw/zinc/91/74/41/873917441.db2.gz LYIJYBGUBODDNV-UEXGIBASSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)C2=O)c1 ZINC000541599423 873917442 /nfs/dbraw/zinc/91/74/42/873917442.db2.gz LYIJYBGUBODDNV-UEXGIBASSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)COc3cc(C)ccc3Cl)CC2)[nH+]c1C ZINC001197844311 874067695 /nfs/dbraw/zinc/06/76/95/874067695.db2.gz COHKAOPLKAMJAG-KRWDZBQOSA-N 2 1 377.916 3.608 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769525550 874133673 /nfs/dbraw/zinc/13/36/73/874133673.db2.gz IKUBNIJORIVKLX-YJBOKZPZSA-N 2 1 387.515 3.756 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769525550 874133679 /nfs/dbraw/zinc/13/36/79/874133679.db2.gz IKUBNIJORIVKLX-YJBOKZPZSA-N 2 1 387.515 3.756 20 0 GHADMP CCc1noc(C)c1[C@@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000769870655 874345832 /nfs/dbraw/zinc/34/58/32/874345832.db2.gz BEIZGQVXUISYQM-LJQANCHMSA-N 2 1 384.568 3.794 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528373572 874471151 /nfs/dbraw/zinc/47/11/51/874471151.db2.gz TZEWGCZTJGASLG-LJQANCHMSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528373572 874471156 /nfs/dbraw/zinc/47/11/56/874471156.db2.gz TZEWGCZTJGASLG-LJQANCHMSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449104300 874475816 /nfs/dbraw/zinc/47/58/16/874475816.db2.gz UWDNUNPRPKKVTQ-UHFFFAOYSA-N 2 1 380.598 3.859 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000528393531 874510817 /nfs/dbraw/zinc/51/08/17/874510817.db2.gz GHJACEQZFSQIBU-HOTGVXAUSA-N 2 1 385.474 3.812 20 0 GHADMP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cn2)cc1 ZINC000449128817 874513532 /nfs/dbraw/zinc/51/35/32/874513532.db2.gz YFHGRNCKSQVIHO-NRFANRHFSA-N 2 1 390.531 3.535 20 0 GHADMP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cn2)cc1 ZINC000449128817 874513543 /nfs/dbraw/zinc/51/35/43/874513543.db2.gz YFHGRNCKSQVIHO-NRFANRHFSA-N 2 1 390.531 3.535 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccnc3C(F)(F)F)CC2)CC1 ZINC000528397893 874515076 /nfs/dbraw/zinc/51/50/76/874515076.db2.gz SDXAZZNSHFQACW-UHFFFAOYSA-N 2 1 398.517 3.729 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528433311 874552789 /nfs/dbraw/zinc/55/27/89/874552789.db2.gz UKVNUIDBDDMJQC-QFIPXVFZSA-N 2 1 384.568 3.554 20 0 GHADMP O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000770324274 874598777 /nfs/dbraw/zinc/59/87/77/874598777.db2.gz MYQVYBURUBALBP-RBBKRZOGSA-N 2 1 384.520 3.842 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)c3c[nH+]ccc3N3CCCC3)CC2)CC1 ZINC001199369891 874949474 /nfs/dbraw/zinc/94/94/74/874949474.db2.gz YUWNLRNAOCGAEC-UHFFFAOYSA-N 2 1 384.568 3.656 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507849 874970690 /nfs/dbraw/zinc/97/06/90/874970690.db2.gz UKVFUDKIMGFRPH-OAQYLSRUSA-N 2 1 397.563 3.816 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542151171 875044853 /nfs/dbraw/zinc/04/48/53/875044853.db2.gz CNBQXOKFNRHQOS-HXUWFJFHSA-N 2 1 394.401 3.690 20 0 GHADMP C[NH+](C)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001199600106 875070837 /nfs/dbraw/zinc/07/08/37/875070837.db2.gz RSLSXMOXVHXCBC-BJKOFHAPSA-N 2 1 377.576 3.946 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OCC(F)F)cc3)c2)CCO1 ZINC001199668006 875112398 /nfs/dbraw/zinc/11/23/98/875112398.db2.gz UJGNYPIZYDJGKU-KRWDZBQOSA-N 2 1 390.474 3.841 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OCC(F)F)cc3)c2)CCO1 ZINC001199668006 875112404 /nfs/dbraw/zinc/11/24/04/875112404.db2.gz UJGNYPIZYDJGKU-KRWDZBQOSA-N 2 1 390.474 3.841 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001199666879 875112426 /nfs/dbraw/zinc/11/24/26/875112426.db2.gz GRIGPOLJVLPGLJ-BKSPAHHJSA-N 2 1 393.575 3.517 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001199666879 875112431 /nfs/dbraw/zinc/11/24/31/875112431.db2.gz GRIGPOLJVLPGLJ-BKSPAHHJSA-N 2 1 393.575 3.517 20 0 GHADMP CCCC[C@H](CC)COCCCNc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001168113434 875528125 /nfs/dbraw/zinc/52/81/25/875528125.db2.gz PEZDKOSCHADPKJ-IBGZPJMESA-N 2 1 391.604 3.995 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000303418676 875578877 /nfs/dbraw/zinc/57/88/77/875578877.db2.gz CCIPHUCCDXQYLC-CVDCTZTESA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000303418676 875578890 /nfs/dbraw/zinc/57/88/90/875578890.db2.gz CCIPHUCCDXQYLC-CVDCTZTESA-N 2 1 379.548 3.633 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001201417186 875678898 /nfs/dbraw/zinc/67/88/98/875678898.db2.gz RLIWLUODNUVXKZ-FQEVSTJZSA-N 2 1 381.564 3.593 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001201417188 875679231 /nfs/dbraw/zinc/67/92/31/875679231.db2.gz RLIWLUODNUVXKZ-HXUWFJFHSA-N 2 1 381.564 3.593 20 0 GHADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000542494437 882961818 /nfs/dbraw/zinc/96/18/18/882961818.db2.gz KAIGSUSLKAAAQV-RUZDIDTESA-N 2 1 395.591 3.998 20 0 GHADMP COc1cccc2c1CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C2 ZINC001201625606 875800690 /nfs/dbraw/zinc/80/06/90/875800690.db2.gz CAPLWEXICCZZIH-GOTSBHOMSA-N 2 1 394.559 3.689 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCCc4ccccc4)CC3)C2)c1 ZINC001201660019 875819484 /nfs/dbraw/zinc/81/94/84/875819484.db2.gz FQOQFRXDSFUGIS-UHFFFAOYSA-N 2 1 394.559 3.995 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCCc4ccccc4)CC3)C2)c1 ZINC001201660019 875819498 /nfs/dbraw/zinc/81/94/98/875819498.db2.gz FQOQFRXDSFUGIS-UHFFFAOYSA-N 2 1 394.559 3.995 20 0 GHADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450191845 876056438 /nfs/dbraw/zinc/05/64/38/876056438.db2.gz HMQOPLKEKVBKRI-GCJKJVERSA-N 2 1 384.568 3.520 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173327184 876322424 /nfs/dbraw/zinc/32/24/24/876322424.db2.gz AYBNDNJWUUREDO-IBGZPJMESA-N 2 1 397.563 3.692 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000173402861 876366090 /nfs/dbraw/zinc/36/60/90/876366090.db2.gz RGKIQOQMSYQUPG-MBOZVWFJSA-N 2 1 394.991 3.847 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492296867 876595089 /nfs/dbraw/zinc/59/50/89/876595089.db2.gz ZXIGZFBAVLFJBA-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492296867 876595101 /nfs/dbraw/zinc/59/51/01/876595101.db2.gz ZXIGZFBAVLFJBA-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192925554 883048721 /nfs/dbraw/zinc/04/87/21/883048721.db2.gz OZELFRAFBNSIOW-HSZRJFAPSA-N 2 1 395.566 3.944 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192935331 883052157 /nfs/dbraw/zinc/05/21/57/883052157.db2.gz MYEXFAARJHPJSY-AZUAARDMSA-N 2 1 381.520 3.524 20 0 GHADMP CCn1c2ccccc2nc1C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000537661832 883060541 /nfs/dbraw/zinc/06/05/41/883060541.db2.gz ULRGCUZZUDSDDP-OALUTQOASA-N 2 1 384.568 3.768 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786780063 876933638 /nfs/dbraw/zinc/93/36/38/876933638.db2.gz KTTKJANMIMWZHW-GOSISDBHSA-N 2 1 378.520 3.531 20 0 GHADMP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858426422 883090032 /nfs/dbraw/zinc/09/00/32/883090032.db2.gz QFOWLHKHKRFKNG-NRFANRHFSA-N 2 1 377.532 3.989 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551029854 883096434 /nfs/dbraw/zinc/09/64/34/883096434.db2.gz BGZWPABYBHAEMB-VWNXMTODSA-N 3 1 381.564 3.942 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551029854 883096447 /nfs/dbraw/zinc/09/64/47/883096447.db2.gz BGZWPABYBHAEMB-VWNXMTODSA-N 3 1 381.564 3.942 20 0 GHADMP CCc1ccc([C@H](CC(C)C)[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000530223478 877308981 /nfs/dbraw/zinc/30/89/81/877308981.db2.gz KEDLNTIPZHNNII-ZRBLBEILSA-N 2 1 398.595 3.556 20 0 GHADMP Cc1cc(N2CCC[C@@H](OC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)nc(C)[nH+]1 ZINC000788190990 877898435 /nfs/dbraw/zinc/89/84/35/877898435.db2.gz ZTHBFGGUNQINTC-OAQYLSRUSA-N 2 1 394.519 3.515 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000788246864 877948449 /nfs/dbraw/zinc/94/84/49/877948449.db2.gz GJIOIBVPPDWLBH-BWPNAZKDSA-N 2 1 375.557 3.583 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000788246864 877948463 /nfs/dbraw/zinc/94/84/63/877948463.db2.gz GJIOIBVPPDWLBH-BWPNAZKDSA-N 2 1 375.557 3.583 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000551908404 878005931 /nfs/dbraw/zinc/00/59/31/878005931.db2.gz MVIWQODLWRJIHI-KRWDZBQOSA-N 2 1 389.367 3.785 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176297484 878194097 /nfs/dbraw/zinc/19/40/97/878194097.db2.gz BPQRUCDZZLMHPM-JOCHJYFZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176297484 878194112 /nfs/dbraw/zinc/19/41/12/878194112.db2.gz BPQRUCDZZLMHPM-JOCHJYFZSA-N 2 1 387.543 3.515 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335794 878259411 /nfs/dbraw/zinc/25/94/11/878259411.db2.gz PBFRYTPINUNDLV-MJBXVCDLSA-N 2 1 394.195 3.689 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335794 878259422 /nfs/dbraw/zinc/25/94/22/878259422.db2.gz PBFRYTPINUNDLV-MJBXVCDLSA-N 2 1 394.195 3.689 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335794 878259437 /nfs/dbraw/zinc/25/94/37/878259437.db2.gz PBFRYTPINUNDLV-MJBXVCDLSA-N 2 1 394.195 3.689 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335794 878259446 /nfs/dbraw/zinc/25/94/46/878259446.db2.gz PBFRYTPINUNDLV-MJBXVCDLSA-N 2 1 394.195 3.689 20 0 GHADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335157 878256840 /nfs/dbraw/zinc/25/68/40/878256840.db2.gz BJNOJCGFSOPOAR-OLZOCXBDSA-N 2 1 382.184 3.546 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335157 878256859 /nfs/dbraw/zinc/25/68/59/878256859.db2.gz BJNOJCGFSOPOAR-OLZOCXBDSA-N 2 1 382.184 3.546 20 0 GHADMP C[NH+]1CCC(CNC(=O)c2ccc(Oc3ccccc3)o2)(N2CCCCC2)CC1 ZINC000176494570 878283747 /nfs/dbraw/zinc/28/37/47/878283747.db2.gz NUXZGTRUZYAYHJ-UHFFFAOYSA-N 2 1 397.519 3.752 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1)CC1CC1 ZINC000537848531 878389137 /nfs/dbraw/zinc/38/91/37/878389137.db2.gz GXCUQLNDUBCAKD-HXUWFJFHSA-N 2 1 385.596 3.868 20 0 GHADMP CC[N@@H+](CCC1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1)CC1CC1 ZINC000537849751 878390422 /nfs/dbraw/zinc/39/04/22/878390422.db2.gz PSORZSBGPDLLLS-GOSISDBHSA-N 2 1 382.556 3.557 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1)CC1CC1 ZINC000537849751 878390439 /nfs/dbraw/zinc/39/04/39/878390439.db2.gz PSORZSBGPDLLLS-GOSISDBHSA-N 2 1 382.556 3.557 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1)CC1CC1 ZINC000537849751 878390452 /nfs/dbraw/zinc/39/04/52/878390452.db2.gz PSORZSBGPDLLLS-GOSISDBHSA-N 2 1 382.556 3.557 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245774878 878577825 /nfs/dbraw/zinc/57/78/25/878577825.db2.gz XXVBFQAJYVGNPD-DKUWSORSSA-N 2 1 392.547 3.834 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245774878 878577835 /nfs/dbraw/zinc/57/78/35/878577835.db2.gz XXVBFQAJYVGNPD-DKUWSORSSA-N 2 1 392.547 3.834 20 0 GHADMP CCCCC[C@H]([NH2+]C)c1nc(-c2cccc(C(=O)Cn3cc[nH+]c3C)c2)no1 ZINC001212281375 878736398 /nfs/dbraw/zinc/73/63/98/878736398.db2.gz VOHLOBVWSDFRSR-SFHVURJKSA-N 2 1 381.480 3.965 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc2n1 ZINC000538045806 878753665 /nfs/dbraw/zinc/75/36/65/878753665.db2.gz NVGKQWAZVYWGOV-BGYRXZFFSA-N 2 1 397.563 3.633 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc2n1 ZINC000538045806 878753688 /nfs/dbraw/zinc/75/36/88/878753688.db2.gz NVGKQWAZVYWGOV-BGYRXZFFSA-N 2 1 397.563 3.633 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1F ZINC000245965378 878807612 /nfs/dbraw/zinc/80/76/12/878807612.db2.gz YWSJIMWCLDLUIR-CRAIPNDOSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1F ZINC000245965378 878807624 /nfs/dbraw/zinc/80/76/24/878807624.db2.gz YWSJIMWCLDLUIR-CRAIPNDOSA-N 2 1 387.474 3.513 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C(F)(F)F)n1 ZINC000530950836 878825408 /nfs/dbraw/zinc/82/54/08/878825408.db2.gz KEMINEGKTGWVBN-UHFFFAOYSA-N 2 1 384.490 3.733 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000531020619 878929511 /nfs/dbraw/zinc/92/95/11/878929511.db2.gz WYGFCKBNZOHOSB-UWJYYQICSA-N 2 1 381.524 3.512 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000246097321 878971468 /nfs/dbraw/zinc/97/14/68/878971468.db2.gz XKCTXJKRUSZXBP-OFNKIYASSA-N 2 1 395.522 3.690 20 0 GHADMP CCN(CC)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000531057992 879031187 /nfs/dbraw/zinc/03/11/87/879031187.db2.gz HJWHNVUKEIXEPF-QYZOEREBSA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000531057992 879031196 /nfs/dbraw/zinc/03/11/96/879031196.db2.gz HJWHNVUKEIXEPF-QYZOEREBSA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C(F)(F)F)c1 ZINC000531057992 879031209 /nfs/dbraw/zinc/03/12/09/879031209.db2.gz HJWHNVUKEIXEPF-QYZOEREBSA-N 2 1 397.485 3.783 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000531154047 879214852 /nfs/dbraw/zinc/21/48/52/879214852.db2.gz VZVUCELXUVIXTA-XLIONFOSSA-N 2 1 377.960 3.714 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000246325856 879392941 /nfs/dbraw/zinc/39/29/41/879392941.db2.gz SHAMIJMTDAVRJQ-NIAPBTPMSA-N 2 1 392.613 3.551 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH2+][C@H](C)c1ccccc1 ZINC000246349891 879443174 /nfs/dbraw/zinc/44/31/74/879443174.db2.gz PGNTXWXJKDXRMY-NRSPTQNISA-N 2 1 386.584 3.774 20 0 GHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)cc1OC ZINC000542467470 879455060 /nfs/dbraw/zinc/45/50/60/879455060.db2.gz YARUSKPHIXUTOZ-FQEVSTJZSA-N 2 1 378.476 3.930 20 0 GHADMP CC1(C)C[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045483 879472454 /nfs/dbraw/zinc/47/24/54/879472454.db2.gz ZHIRSAQXWFAUIF-FCHUYYIVSA-N 2 1 397.563 3.592 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)cc1F ZINC000790125558 879492331 /nfs/dbraw/zinc/49/23/31/879492331.db2.gz XVHPTQHRZXKQMQ-UHFFFAOYSA-N 2 1 395.482 3.504 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246461259 879583378 /nfs/dbraw/zinc/58/33/78/879583378.db2.gz JNQGYXHRLDSLHC-SIKLNZKXSA-N 2 1 386.584 3.603 20 0 GHADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000854222768 879640549 /nfs/dbraw/zinc/64/05/49/879640549.db2.gz MBDKCAVSCJYAEB-MDNUFGMLSA-N 2 1 393.531 3.775 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000246586303 879701780 /nfs/dbraw/zinc/70/17/80/879701780.db2.gz ZSUPSBMCXCBRCO-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000531382060 879746416 /nfs/dbraw/zinc/74/64/16/879746416.db2.gz ARNBCLQVRXSZSR-HXUWFJFHSA-N 2 1 384.520 3.635 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000531382060 879746426 /nfs/dbraw/zinc/74/64/26/879746426.db2.gz ARNBCLQVRXSZSR-HXUWFJFHSA-N 2 1 384.520 3.635 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000790464852 879769009 /nfs/dbraw/zinc/76/90/09/879769009.db2.gz ZVSPZUOSMRPWSV-HXUWFJFHSA-N 2 1 387.568 3.889 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)CC[N@H+]1CCc3ccccc3C1)CC2 ZINC000854676509 879997659 /nfs/dbraw/zinc/99/76/59/879997659.db2.gz PHRHSFWUPNZPLD-UHFFFAOYSA-N 2 1 383.580 3.548 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1OC ZINC000247937620 880089581 /nfs/dbraw/zinc/08/95/81/880089581.db2.gz CRBPEUAUQQRCFR-IFMALSPDSA-N 2 1 395.547 3.633 20 0 GHADMP Fc1cccc(-c2ccc(C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)o2)c1F ZINC000790961418 880103319 /nfs/dbraw/zinc/10/33/19/880103319.db2.gz AFLXQNOAYPLZFU-QGZVFWFLSA-N 2 1 376.447 3.958 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677552 880305268 /nfs/dbraw/zinc/30/52/68/880305268.db2.gz FZTBEYUNDHKZEN-OPYAIIAOSA-N 2 1 387.593 3.827 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)CC2)oc1C ZINC000531714813 880345322 /nfs/dbraw/zinc/34/53/22/880345322.db2.gz PXQLZFARXRZJHU-INIZCTEOSA-N 2 1 396.535 3.739 20 0 GHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc2n1CCCC2 ZINC000453083165 880439427 /nfs/dbraw/zinc/43/94/27/880439427.db2.gz MXOTZRWAYDEFSF-VABKMULXSA-N 2 1 378.564 3.795 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(-c2ccccc2)nn1C ZINC000453101870 880466942 /nfs/dbraw/zinc/46/69/42/880466942.db2.gz YVFUUXOXMRYZSM-LJQANCHMSA-N 2 1 390.531 3.770 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)c(I)c1 ZINC000453112325 880482006 /nfs/dbraw/zinc/48/20/06/880482006.db2.gz CFRGCNRWQWEADM-GVXVVHGQSA-N 2 1 376.257 3.564 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(I)c1 ZINC000453112325 880482011 /nfs/dbraw/zinc/48/20/11/880482011.db2.gz CFRGCNRWQWEADM-GVXVVHGQSA-N 2 1 376.257 3.564 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCOCC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453158519 880555906 /nfs/dbraw/zinc/55/59/06/880555906.db2.gz KADRPIGUPZHLAM-BXXSPATCSA-N 2 1 384.564 3.747 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000531932982 880786658 /nfs/dbraw/zinc/78/66/58/880786658.db2.gz GACJPCSORQBHPU-ZWKOTPCHSA-N 2 1 379.976 3.931 20 0 GHADMP CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000531941265 880799662 /nfs/dbraw/zinc/79/96/62/880799662.db2.gz YEJQWWZYVRCDJP-HOCLYGCPSA-N 2 1 387.446 3.766 20 0 GHADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000453342135 880814739 /nfs/dbraw/zinc/81/47/39/880814739.db2.gz CRNCYGBJZQCPGN-OEMFJLHTSA-N 2 1 386.580 3.803 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(I)c1 ZINC000453345405 880817180 /nfs/dbraw/zinc/81/71/80/880817180.db2.gz JYRCBQRVXCUBFP-HLVVYCRESA-N 2 1 388.268 3.706 20 0 GHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000286194403 912621646 /nfs/dbraw/zinc/62/16/46/912621646.db2.gz XQABETZHKGYRSI-GFCCVEGCSA-N 2 1 389.849 3.927 20 0 GHADMP C[NH+](C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144455 881269549 /nfs/dbraw/zinc/26/95/49/881269549.db2.gz CZNQQICDVOARRF-JBXUNAHCSA-N 2 1 377.576 3.945 20 0 GHADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144455 881269563 /nfs/dbraw/zinc/26/95/63/881269563.db2.gz CZNQQICDVOARRF-JBXUNAHCSA-N 2 1 377.576 3.945 20 0 GHADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144455 881269578 /nfs/dbraw/zinc/26/95/78/881269578.db2.gz CZNQQICDVOARRF-JBXUNAHCSA-N 2 1 377.576 3.945 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001170285609 881335350 /nfs/dbraw/zinc/33/53/50/881335350.db2.gz SRTFYFSFSWGGTL-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000123199029 883193509 /nfs/dbraw/zinc/19/35/09/883193509.db2.gz PXOJDBZUQUSPST-UHFFFAOYSA-N 2 1 383.540 3.566 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310154 912684978 /nfs/dbraw/zinc/68/49/78/912684978.db2.gz XBWXEXAIILXFBQ-JKSUJKDBSA-N 2 1 385.533 3.642 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310154 912684987 /nfs/dbraw/zinc/68/49/87/912684987.db2.gz XBWXEXAIILXFBQ-JKSUJKDBSA-N 2 1 385.533 3.642 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C[C@@H]1c1ccccc1 ZINC000551087061 883265185 /nfs/dbraw/zinc/26/51/85/883265185.db2.gz LQTPOVOOINOQRL-ZWKOTPCHSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C[C@@H]1c1ccccc1 ZINC000551087061 883265199 /nfs/dbraw/zinc/26/51/99/883265199.db2.gz LQTPOVOOINOQRL-ZWKOTPCHSA-N 2 1 379.426 3.904 20 0 GHADMP Cc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1Cl ZINC001211910469 883304435 /nfs/dbraw/zinc/30/44/35/883304435.db2.gz DLVXAULVFPOKLG-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1Cl ZINC001211910469 883304450 /nfs/dbraw/zinc/30/44/50/883304450.db2.gz DLVXAULVFPOKLG-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000859118966 883599633 /nfs/dbraw/zinc/59/96/33/883599633.db2.gz UHWPBRSVBZRREY-NRFANRHFSA-N 2 1 387.487 3.508 20 0 GHADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215631 883669308 /nfs/dbraw/zinc/66/93/08/883669308.db2.gz MDQOIFLWJJMFIG-FQEVSTJZSA-N 2 1 385.577 3.778 20 0 GHADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215631 883669318 /nfs/dbraw/zinc/66/93/18/883669318.db2.gz MDQOIFLWJJMFIG-FQEVSTJZSA-N 2 1 385.577 3.778 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]1c1ncc[nH]1)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000859223138 883673834 /nfs/dbraw/zinc/67/38/34/883673834.db2.gz QUUZYVVMCAOCMD-QZTJIDSGSA-N 2 1 386.620 3.815 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001183758878 912769093 /nfs/dbraw/zinc/76/90/93/912769093.db2.gz YFCMLUUCRRPRFF-FUDKSRODSA-N 2 1 395.522 3.699 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001183758878 912769105 /nfs/dbraw/zinc/76/91/05/912769105.db2.gz YFCMLUUCRRPRFF-FUDKSRODSA-N 2 1 395.522 3.699 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000556218182 884169176 /nfs/dbraw/zinc/16/91/76/884169176.db2.gz QMYZAMZTHFEJSK-GBXCKJPGSA-N 2 1 379.548 3.523 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233500 884184692 /nfs/dbraw/zinc/18/46/92/884184692.db2.gz PWVPDALHJXLQHF-FDFHNCONSA-N 2 1 386.580 3.708 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000495109444 884560466 /nfs/dbraw/zinc/56/04/66/884560466.db2.gz PKYZANNAONYJJI-DXIQSLLYSA-N 2 1 396.531 3.627 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCCCCNC(=O)OC(C)(C)C ZINC001168284964 884564094 /nfs/dbraw/zinc/56/40/94/884564094.db2.gz PTCHBAORTSULCG-AQNXPRMDSA-N 2 1 397.604 3.645 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@@H](C)C1 ZINC000249451693 912839407 /nfs/dbraw/zinc/83/94/07/912839407.db2.gz OOKCLKMBYXCODO-LAUBAEHRSA-N 2 1 386.536 3.636 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3c(C)c(C)ccc23)[C@@H](C)C1 ZINC000249451693 912839421 /nfs/dbraw/zinc/83/94/21/912839421.db2.gz OOKCLKMBYXCODO-LAUBAEHRSA-N 2 1 386.536 3.636 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)c1 ZINC000286732547 912872363 /nfs/dbraw/zinc/87/23/63/912872363.db2.gz XTIVDLPMEOTLJQ-UHFFFAOYSA-N 2 1 383.927 3.971 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)c1 ZINC000286732547 912872389 /nfs/dbraw/zinc/87/23/89/912872389.db2.gz XTIVDLPMEOTLJQ-UHFFFAOYSA-N 2 1 383.927 3.971 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000130682568 885002648 /nfs/dbraw/zinc/00/26/48/885002648.db2.gz HMWSCVASCCYBLR-UHFFFAOYSA-N 2 1 398.576 3.619 20 0 GHADMP Cc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000130904159 885322010 /nfs/dbraw/zinc/32/20/10/885322010.db2.gz TVOJGWOHECFJBH-UHFFFAOYSA-N 2 1 385.577 3.517 20 0 GHADMP Cc1cc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)ccc1F ZINC000130905093 885324661 /nfs/dbraw/zinc/32/46/61/885324661.db2.gz FSAMRYQYZSZDLS-UHFFFAOYSA-N 2 1 397.538 3.594 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001183984365 912943489 /nfs/dbraw/zinc/94/34/89/912943489.db2.gz FVUKTAHXXOMZPG-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000072072536 885522878 /nfs/dbraw/zinc/52/28/78/885522878.db2.gz LTQQMACCVABMPQ-YADHBBJMSA-N 2 1 395.547 3.753 20 0 GHADMP COC(=[NH2+])c1cccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170527918 885537863 /nfs/dbraw/zinc/53/78/63/885537863.db2.gz DIFLWVGSQYQFDX-UHFFFAOYSA-N 3 1 376.504 3.568 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000495374145 885562224 /nfs/dbraw/zinc/56/22/24/885562224.db2.gz MSSMRLKCCXZJQW-ZJOUEHCJSA-N 2 1 395.547 3.913 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000455878868 885563846 /nfs/dbraw/zinc/56/38/46/885563846.db2.gz QOMUSKQNUGZXJK-QFIPXVFZSA-N 2 1 378.520 3.585 20 0 GHADMP C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000807620929 885576665 /nfs/dbraw/zinc/57/66/65/885576665.db2.gz SYUMOSVBUXXNJC-AUSIDOKSSA-N 2 1 394.563 3.553 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000556591710 885606590 /nfs/dbraw/zinc/60/65/90/885606590.db2.gz MESLOPRYIRZVPH-QHCPKHFHSA-N 2 1 379.548 3.527 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1 ZINC000556591710 885606599 /nfs/dbraw/zinc/60/65/99/885606599.db2.gz MESLOPRYIRZVPH-QHCPKHFHSA-N 2 1 379.548 3.527 20 0 GHADMP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCC1 ZINC000108364674 885667284 /nfs/dbraw/zinc/66/72/84/885667284.db2.gz UCKRCUBMHPRMKN-UHFFFAOYSA-N 2 1 375.582 3.827 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476386 885732094 /nfs/dbraw/zinc/73/20/94/885732094.db2.gz XUKVRFLNXXCAAB-NZQKXSOJSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476386 885732112 /nfs/dbraw/zinc/73/21/12/885732112.db2.gz XUKVRFLNXXCAAB-NZQKXSOJSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476386 885732130 /nfs/dbraw/zinc/73/21/30/885732130.db2.gz XUKVRFLNXXCAAB-NZQKXSOJSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476386 885732148 /nfs/dbraw/zinc/73/21/48/885732148.db2.gz XUKVRFLNXXCAAB-NZQKXSOJSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476386 885732164 /nfs/dbraw/zinc/73/21/64/885732164.db2.gz XUKVRFLNXXCAAB-NZQKXSOJSA-N 2 1 387.612 3.550 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000532486761 885821595 /nfs/dbraw/zinc/82/15/95/885821595.db2.gz NUOPTXNEZBFILW-UHFFFAOYSA-N 2 1 395.547 3.868 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444920 885829778 /nfs/dbraw/zinc/82/97/78/885829778.db2.gz OBJVOSSSOOHYQN-NVXDSCFRSA-N 2 1 391.559 3.676 20 0 GHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCc2ccccc21 ZINC000499024296 886394864 /nfs/dbraw/zinc/39/48/64/886394864.db2.gz NCOIWJDIAJKORG-QFIPXVFZSA-N 2 1 395.572 3.793 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3c3ccsc3)cc2)CC1 ZINC000915363682 886439110 /nfs/dbraw/zinc/43/91/10/886439110.db2.gz BHDSGCWKTZGRRU-OAQYLSRUSA-N 2 1 398.576 3.666 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H]3c3ccsc3)cc2)CC1 ZINC000915363682 886439128 /nfs/dbraw/zinc/43/91/28/886439128.db2.gz BHDSGCWKTZGRRU-OAQYLSRUSA-N 2 1 398.576 3.666 20 0 GHADMP c1c(CC[NH2+][C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000556892470 886520791 /nfs/dbraw/zinc/52/07/91/886520791.db2.gz NSCBVUNWMKBHJK-NNWRFLSQSA-N 2 1 396.604 3.812 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057138947 886532770 /nfs/dbraw/zinc/53/27/70/886532770.db2.gz OLPGOWWQDJPRHR-HSZRJFAPSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000073112878 886590872 /nfs/dbraw/zinc/59/08/72/886590872.db2.gz CWUZMEBWILVMIX-NJYVYQBISA-N 2 1 383.580 3.546 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000073112878 886590881 /nfs/dbraw/zinc/59/08/81/886590881.db2.gz CWUZMEBWILVMIX-NJYVYQBISA-N 2 1 383.580 3.546 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000073112878 886590893 /nfs/dbraw/zinc/59/08/93/886590893.db2.gz CWUZMEBWILVMIX-NJYVYQBISA-N 2 1 383.580 3.546 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001184265658 913106471 /nfs/dbraw/zinc/10/64/71/913106471.db2.gz UUJCZVVHXBGYTO-BHIFYINESA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)[C@@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)n1 ZINC000863655417 887266663 /nfs/dbraw/zinc/26/66/63/887266663.db2.gz CNWJOKPNXIBWKX-BRWVUGGUSA-N 2 1 383.521 3.565 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809632502 887633356 /nfs/dbraw/zinc/63/33/56/887633356.db2.gz RLVLXDUHODVIOV-UHFFFAOYSA-N 2 1 387.549 3.710 20 0 GHADMP Cc1nc(CC[N@@H+](C)[C@@H]2CCC[NH+](CCc3csc(C)n3)CC2)cs1 ZINC000132246277 887637301 /nfs/dbraw/zinc/63/73/01/887637301.db2.gz BJFRJGLELKIHDA-LJQANCHMSA-N 2 1 378.611 3.788 20 0 GHADMP Cc1nc(CC[N@H+](C)[C@@H]2CCC[NH+](CCc3csc(C)n3)CC2)cs1 ZINC000132246277 887637304 /nfs/dbraw/zinc/63/73/04/887637304.db2.gz BJFRJGLELKIHDA-LJQANCHMSA-N 2 1 378.611 3.788 20 0 GHADMP Cc1nc(CC[NH+](C)[C@@H]2CCC[N@H+](CCc3csc(C)n3)CC2)cs1 ZINC000132246277 887637308 /nfs/dbraw/zinc/63/73/08/887637308.db2.gz BJFRJGLELKIHDA-LJQANCHMSA-N 2 1 378.611 3.788 20 0 GHADMP Cc1nc(CC[NH+](C)[C@@H]2CCC[N@@H+](CCc3csc(C)n3)CC2)cs1 ZINC000132246277 887637312 /nfs/dbraw/zinc/63/73/12/887637312.db2.gz BJFRJGLELKIHDA-LJQANCHMSA-N 2 1 378.611 3.788 20 0 GHADMP COC(=O)COc1c(C)cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000809738605 887772104 /nfs/dbraw/zinc/77/21/04/887772104.db2.gz BGVXNMBWTHXSOR-UHFFFAOYSA-N 2 1 384.520 3.549 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000287212496 913188296 /nfs/dbraw/zinc/18/82/96/913188296.db2.gz UWZOWYAJIYKRBP-AIZNXBIQSA-N 2 1 398.595 3.685 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184402914 913186267 /nfs/dbraw/zinc/18/62/67/913186267.db2.gz PLMULPJXEQQNFJ-IBGZPJMESA-N 2 1 391.987 3.885 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)CC2)[nH+]c1 ZINC000194045431 887986733 /nfs/dbraw/zinc/98/67/33/887986733.db2.gz ARKOROVBWUIDKN-UHFFFAOYSA-N 2 1 398.595 3.911 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000809963039 888004865 /nfs/dbraw/zinc/00/48/65/888004865.db2.gz JDKSYJNWROVVEH-WTGUMLROSA-N 2 1 381.605 3.980 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000809963039 888004876 /nfs/dbraw/zinc/00/48/76/888004876.db2.gz JDKSYJNWROVVEH-WTGUMLROSA-N 2 1 381.605 3.980 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000809963039 888004884 /nfs/dbraw/zinc/00/48/84/888004884.db2.gz JDKSYJNWROVVEH-WTGUMLROSA-N 2 1 381.605 3.980 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1 ZINC000670264135 888270889 /nfs/dbraw/zinc/27/08/89/888270889.db2.gz VOLBNZOEEGXRDO-HSZRJFAPSA-N 2 1 399.529 3.809 20 0 GHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000810259196 888322680 /nfs/dbraw/zinc/32/26/80/888322680.db2.gz FBEMTHSXBHORAB-IYWMVGAKSA-N 2 1 397.604 3.501 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000810259196 888322692 /nfs/dbraw/zinc/32/26/92/888322692.db2.gz FBEMTHSXBHORAB-IYWMVGAKSA-N 2 1 397.604 3.501 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000810475667 888552306 /nfs/dbraw/zinc/55/23/06/888552306.db2.gz OGKTVLIWDCMHNC-URXFXBBRSA-N 2 1 393.575 3.925 20 0 GHADMP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195139399 888649155 /nfs/dbraw/zinc/64/91/55/888649155.db2.gz VPJONEQPVOJGSE-LQAIBEDLSA-N 2 1 389.543 3.931 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000195137835 888650096 /nfs/dbraw/zinc/65/00/96/888650096.db2.gz SNWYGKLZWSVWCC-QUCCMNQESA-N 2 1 379.504 3.816 20 0 GHADMP O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000195139385 888650423 /nfs/dbraw/zinc/65/04/23/888650423.db2.gz VPJONEQPVOJGSE-JMOWIOHXSA-N 2 1 389.543 3.931 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc2c(ccnc2Cl)o1 ZINC000866335563 888835728 /nfs/dbraw/zinc/83/57/28/888835728.db2.gz BLXKADCIFARPFF-RHSMWYFYSA-N 2 1 385.895 3.899 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000532802423 888972972 /nfs/dbraw/zinc/97/29/72/888972972.db2.gz YKIPVSWLVUGYGI-GHTZIAJQSA-N 2 1 393.510 3.797 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657333 889176739 /nfs/dbraw/zinc/17/67/39/889176739.db2.gz DWKOSKTWIAFNMT-JRBASJLZSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657333 889176744 /nfs/dbraw/zinc/17/67/44/889176744.db2.gz DWKOSKTWIAFNMT-JRBASJLZSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)C1 ZINC000245657333 889176746 /nfs/dbraw/zinc/17/67/46/889176746.db2.gz DWKOSKTWIAFNMT-JRBASJLZSA-N 2 1 399.623 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000124703234 889730274 /nfs/dbraw/zinc/73/02/74/889730274.db2.gz NRYOSRWIBIZIST-HXUWFJFHSA-N 3 1 395.595 3.782 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)C1 ZINC000063917662 889798881 /nfs/dbraw/zinc/79/88/81/889798881.db2.gz VAFMPMOLHPHKEY-LJQANCHMSA-N 2 1 387.524 3.701 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000125819955 890177633 /nfs/dbraw/zinc/17/76/33/890177633.db2.gz PAURRHFQDGHYLR-QXAKKESOSA-N 2 1 399.501 3.791 20 0 GHADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533290876 890204862 /nfs/dbraw/zinc/20/48/62/890204862.db2.gz UTPRCXQVOKJJQI-SLYNCCJLSA-N 2 1 387.593 3.827 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000246103516 890379595 /nfs/dbraw/zinc/37/95/95/890379595.db2.gz HHMIYEYNNCTYHW-NSHGMRRFSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000246103516 890379609 /nfs/dbraw/zinc/37/96/09/890379609.db2.gz HHMIYEYNNCTYHW-NSHGMRRFSA-N 2 1 392.613 3.504 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000246103516 890379624 /nfs/dbraw/zinc/37/96/24/890379624.db2.gz HHMIYEYNNCTYHW-NSHGMRRFSA-N 2 1 392.613 3.504 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1Cl ZINC000126786463 890713303 /nfs/dbraw/zinc/71/33/03/890713303.db2.gz WUBBWBRHCBWCLU-OXQOHEQNSA-N 2 1 392.975 3.506 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000812762079 890912721 /nfs/dbraw/zinc/91/27/21/890912721.db2.gz RWXUXKYEWZADOF-JOCHJYFZSA-N 2 1 397.523 3.551 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000812762079 890912732 /nfs/dbraw/zinc/91/27/32/890912732.db2.gz RWXUXKYEWZADOF-JOCHJYFZSA-N 2 1 397.523 3.551 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)Nc1c(C)cc(C)nc1C)N1CCCC1 ZINC000455462290 890982942 /nfs/dbraw/zinc/98/29/42/890982942.db2.gz BRWNZXHXUHZORU-IBGZPJMESA-N 2 1 382.508 3.974 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(-c2ncco2)c1C ZINC000455490390 891044123 /nfs/dbraw/zinc/04/41/23/891044123.db2.gz NLFVKAMSEZXEQV-SFHVURJKSA-N 2 1 399.539 3.530 20 0 GHADMP C[C@@H](c1ccc(NC(=O)Nc2cccc(C[NH+](C)C)c2)cc1)[NH+]1CCOCC1 ZINC000171805401 891079330 /nfs/dbraw/zinc/07/93/30/891079330.db2.gz QOOCKUGOQVIDOS-KRWDZBQOSA-N 2 1 382.508 3.785 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156082 891184211 /nfs/dbraw/zinc/18/42/11/891184211.db2.gz DOZGKOREVAKTKF-CBGDNZLLSA-N 2 1 378.582 3.771 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156082 891184217 /nfs/dbraw/zinc/18/42/17/891184217.db2.gz DOZGKOREVAKTKF-CBGDNZLLSA-N 2 1 378.582 3.771 20 0 GHADMP Cc1cc(C)c(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000455556709 891208460 /nfs/dbraw/zinc/20/84/60/891208460.db2.gz KNRCTEMYLKSPER-UHFFFAOYSA-N 2 1 380.536 3.752 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170698509 891343438 /nfs/dbraw/zinc/34/34/38/891343438.db2.gz PRHLCPHWQUCYGQ-MSOLQXFVSA-N 2 1 378.507 3.834 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C3CCOCC3)cc2)C1 ZINC000247312473 891365303 /nfs/dbraw/zinc/36/53/03/891365303.db2.gz RDVIJDSCQYPKPS-XMSQKQJNSA-N 2 1 385.552 3.500 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)cc2)C1 ZINC000247312473 891365317 /nfs/dbraw/zinc/36/53/17/891365317.db2.gz RDVIJDSCQYPKPS-XMSQKQJNSA-N 2 1 385.552 3.500 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399001 891495773 /nfs/dbraw/zinc/49/57/73/891495773.db2.gz KZAYHBCXXAMZHA-GOTSBHOMSA-N 2 1 379.548 3.745 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399001 891495781 /nfs/dbraw/zinc/49/57/81/891495781.db2.gz KZAYHBCXXAMZHA-GOTSBHOMSA-N 2 1 379.548 3.745 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399001 891495788 /nfs/dbraw/zinc/49/57/88/891495788.db2.gz KZAYHBCXXAMZHA-GOTSBHOMSA-N 2 1 379.548 3.745 20 0 GHADMP Fc1cc(OC(F)F)ccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873253405 891551131 /nfs/dbraw/zinc/55/11/31/891551131.db2.gz XELUSUJFUFXNIA-FXAWDEMLSA-N 2 1 378.394 3.773 20 0 GHADMP COc1cc(C[NH+]2CCC[C@H](OC)CC2)cc(C[N@@H+]2CCC[C@H](OC)CC2)c1 ZINC000645000347 913598285 /nfs/dbraw/zinc/59/82/85/913598285.db2.gz REGJFWPYHVUZRZ-VXKWHMMOSA-N 2 1 390.568 3.697 20 0 GHADMP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc(Cl)n1 ZINC000825702905 891861169 /nfs/dbraw/zinc/86/11/69/891861169.db2.gz VZKBDWLSWACRLV-IRXDYDNUSA-N 2 1 395.334 3.506 20 0 GHADMP c1nnn(-c2ccccc2)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000645007357 913602447 /nfs/dbraw/zinc/60/24/47/913602447.db2.gz MLYKTTLNJVWCIW-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000261756198 892100707 /nfs/dbraw/zinc/10/07/07/892100707.db2.gz HSMOOVKZSCYUJV-NRFANRHFSA-N 2 1 379.548 3.537 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262462475 892282242 /nfs/dbraw/zinc/28/22/42/892282242.db2.gz VZBSRZBPWJBLQG-JOQQVMPUSA-N 2 1 381.923 3.507 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262462475 892282256 /nfs/dbraw/zinc/28/22/56/892282256.db2.gz VZBSRZBPWJBLQG-JOQQVMPUSA-N 2 1 381.923 3.507 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000497735297 892288839 /nfs/dbraw/zinc/28/88/39/892288839.db2.gz GZBLGBVLBNPHKX-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274715 892398505 /nfs/dbraw/zinc/39/85/05/892398505.db2.gz VVHUIWBVCBZBPV-UOYQKJQJSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274715 892398523 /nfs/dbraw/zinc/39/85/23/892398523.db2.gz VVHUIWBVCBZBPV-UOYQKJQJSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274715 892398542 /nfs/dbraw/zinc/39/85/42/892398542.db2.gz VVHUIWBVCBZBPV-UOYQKJQJSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274715 892398564 /nfs/dbraw/zinc/39/85/64/892398564.db2.gz VVHUIWBVCBZBPV-UOYQKJQJSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274715 892398583 /nfs/dbraw/zinc/39/85/83/892398583.db2.gz VVHUIWBVCBZBPV-UOYQKJQJSA-N 2 1 391.559 3.790 20 0 GHADMP O=c1oc2ccccc2n1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223319 892416193 /nfs/dbraw/zinc/41/61/93/892416193.db2.gz GBTYKEFIJIKHSI-UHFFFAOYSA-N 2 1 377.488 3.540 20 0 GHADMP O=c1oc2ccccc2n1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814223319 892416202 /nfs/dbraw/zinc/41/62/02/892416202.db2.gz GBTYKEFIJIKHSI-UHFFFAOYSA-N 2 1 377.488 3.540 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696797 892658583 /nfs/dbraw/zinc/65/85/83/892658583.db2.gz KSKIAHZQUQYMIG-IHPCNDPISA-N 2 1 384.955 3.814 20 0 GHADMP C[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000128923313 892693241 /nfs/dbraw/zinc/69/32/41/892693241.db2.gz BACLTQDAYUUIGO-YUVSOPLDSA-N 2 1 383.580 3.593 20 0 GHADMP C[C@H](C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000128923313 892693249 /nfs/dbraw/zinc/69/32/49/892693249.db2.gz BACLTQDAYUUIGO-YUVSOPLDSA-N 2 1 383.580 3.593 20 0 GHADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497905880 892700769 /nfs/dbraw/zinc/70/07/69/892700769.db2.gz AUTDOUPEHQZMEA-KBXCAEBGSA-N 2 1 385.474 3.502 20 0 GHADMP C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709824 892816454 /nfs/dbraw/zinc/81/64/54/892816454.db2.gz JVJMUNYOHGBPIY-NFBKMPQASA-N 2 1 391.559 3.856 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721364 892966591 /nfs/dbraw/zinc/96/65/91/892966591.db2.gz PGDSUKXRHRGTRL-OFNKIYASSA-N 2 1 393.575 3.966 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC4CCC5(CC4)OCCO5)C3)CC2)cc1 ZINC000814640612 893028853 /nfs/dbraw/zinc/02/88/53/893028853.db2.gz MGPKPEPUWAPPPY-UHFFFAOYSA-N 2 1 384.564 3.908 20 0 GHADMP CCC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2ccccn21 ZINC000129102009 893033073 /nfs/dbraw/zinc/03/30/73/893033073.db2.gz BLEYYRRACYBAMA-FXAWDEMLSA-N 2 1 381.524 3.862 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCCCC1 ZINC000918120094 893195254 /nfs/dbraw/zinc/19/52/54/893195254.db2.gz CAOUJTPWWDEQPD-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563119983 893375734 /nfs/dbraw/zinc/37/57/34/893375734.db2.gz OFMTUYCBXAIVIU-QFIPXVFZSA-N 2 1 393.531 3.811 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000563119983 893375750 /nfs/dbraw/zinc/37/57/50/893375750.db2.gz OFMTUYCBXAIVIU-QFIPXVFZSA-N 2 1 393.531 3.811 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC[C@H]21 ZINC000876929877 893392721 /nfs/dbraw/zinc/39/27/21/893392721.db2.gz OJCLGTHMIBGTMP-SOAMZJECSA-N 2 1 377.573 3.629 20 0 GHADMP COCC[NH+]1CCC([NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459394015 893451107 /nfs/dbraw/zinc/45/11/07/893451107.db2.gz ZAGZBGCTOYFSOR-YVMONPNESA-N 2 1 380.532 3.979 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Br)cc2Cl)s1 ZINC000815165618 893503003 /nfs/dbraw/zinc/50/30/03/893503003.db2.gz HKYAKVGOROKQGM-UHFFFAOYSA-N 2 1 388.762 3.953 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@H](Cc2nccs2)C1)[NH+]1CC[C@H](Cc2nccs2)C1 ZINC000934335060 893554810 /nfs/dbraw/zinc/55/48/10/893554810.db2.gz GIJZYMSSLCXWBR-KZNAEPCWSA-N 2 1 390.622 3.807 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H](Cc2nccs2)C1)[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335060 893554827 /nfs/dbraw/zinc/55/48/27/893554827.db2.gz GIJZYMSSLCXWBR-KZNAEPCWSA-N 2 1 390.622 3.807 20 0 GHADMP C[C@H](CC[NH+]1CC[C@H](Cc2nccs2)C1)[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335060 893554836 /nfs/dbraw/zinc/55/48/36/893554836.db2.gz GIJZYMSSLCXWBR-KZNAEPCWSA-N 2 1 390.622 3.807 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643968 893675097 /nfs/dbraw/zinc/67/50/97/893675097.db2.gz BSHXBKAEEXXWSP-DUXKGJEZSA-N 2 1 388.939 3.722 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379643968 893675108 /nfs/dbraw/zinc/67/51/08/893675108.db2.gz BSHXBKAEEXXWSP-DUXKGJEZSA-N 2 1 388.939 3.722 20 0 GHADMP CC[N@@H+](CCC1CCN(CC(=O)Nc2cccc(C(C)=O)c2)CC1)CC1CC1 ZINC000536738658 893701101 /nfs/dbraw/zinc/70/11/01/893701101.db2.gz GUEAFYPGTQRAAA-UHFFFAOYSA-N 2 1 385.552 3.662 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(N2CCOCC2)c1 ZINC000556105776 893771846 /nfs/dbraw/zinc/77/18/46/893771846.db2.gz YUGIUSYKZPCXGY-GOTSBHOMSA-N 2 1 379.548 3.757 20 0 GHADMP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(N2CCOCC2)c1 ZINC000556105776 893771852 /nfs/dbraw/zinc/77/18/52/893771852.db2.gz YUGIUSYKZPCXGY-GOTSBHOMSA-N 2 1 379.548 3.757 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CCC(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC001135000525 893781069 /nfs/dbraw/zinc/78/10/69/893781069.db2.gz GBCIOBSPEHEJNM-GOSISDBHSA-N 2 1 399.501 3.936 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+]1CCC(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC001135000525 893781074 /nfs/dbraw/zinc/78/10/74/893781074.db2.gz GBCIOBSPEHEJNM-GOSISDBHSA-N 2 1 399.501 3.936 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2CC[NH2+]C3)[C@H]1c1cccs1 ZINC000563499094 893829715 /nfs/dbraw/zinc/82/97/15/893829715.db2.gz MEBVDHNQKYDCIT-UZLBHIALSA-N 2 1 384.549 3.598 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000563659246 894034624 /nfs/dbraw/zinc/03/46/24/894034624.db2.gz ZMCFKFRTFYQUQC-GMKZXUHWSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000563659246 894034640 /nfs/dbraw/zinc/03/46/40/894034640.db2.gz ZMCFKFRTFYQUQC-GMKZXUHWSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000563659246 894034658 /nfs/dbraw/zinc/03/46/58/894034658.db2.gz ZMCFKFRTFYQUQC-GMKZXUHWSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000563659246 894034675 /nfs/dbraw/zinc/03/46/75/894034675.db2.gz ZMCFKFRTFYQUQC-GMKZXUHWSA-N 2 1 380.532 3.681 20 0 GHADMP CC1CCN(Cc2csc(NC(=O)C[N@@H+](C)C[C@@H]3CC=CCC3)n2)CC1 ZINC000564154239 894657577 /nfs/dbraw/zinc/65/75/77/894657577.db2.gz YPJDVQIFOLFATM-QGZVFWFLSA-N 2 1 376.570 3.602 20 0 GHADMP CC1CCN(Cc2csc(NC(=O)CN(C)C[C@@H]3CC=CCC3)n2)CC1 ZINC000564154239 894657582 /nfs/dbraw/zinc/65/75/82/894657582.db2.gz YPJDVQIFOLFATM-QGZVFWFLSA-N 2 1 376.570 3.602 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)ccc21 ZINC000455850935 894679333 /nfs/dbraw/zinc/67/93/33/894679333.db2.gz KWKJWYMPILQSSG-BHDDXSALSA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@H](C)C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000564308055 894846067 /nfs/dbraw/zinc/84/60/67/894846067.db2.gz ZWZHFBAEWZFYCO-QPPBQGQZSA-N 2 1 393.575 3.691 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+]CC4=CC[N@@H+](C)CC4)cc3)nc12 ZINC000537385279 894872242 /nfs/dbraw/zinc/87/22/42/894872242.db2.gz WWENWPIYQUHWQY-UHFFFAOYSA-N 2 1 376.504 3.573 20 0 GHADMP C[C@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[NH+]1CCCCCC1 ZINC001135642822 894970329 /nfs/dbraw/zinc/97/03/29/894970329.db2.gz NCCRJCKPLTYRQM-HXUWFJFHSA-N 2 1 379.548 3.749 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000564728480 895213646 /nfs/dbraw/zinc/21/36/46/895213646.db2.gz ANSHJQTZFAILBW-UGKGYDQZSA-N 2 1 393.531 3.559 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000564847882 895282129 /nfs/dbraw/zinc/28/21/29/895282129.db2.gz INLZQYPKOSHCBC-VQTJNVASSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000564847882 895282141 /nfs/dbraw/zinc/28/21/41/895282141.db2.gz INLZQYPKOSHCBC-VQTJNVASSA-N 2 1 388.577 3.606 20 0 GHADMP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000564988665 895339712 /nfs/dbraw/zinc/33/97/12/895339712.db2.gz MWLWDAOLYLEMSD-MZKRTTBSSA-N 2 1 393.531 3.697 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)NCCc3ccccc3)C2)s1 ZINC000565049899 895369628 /nfs/dbraw/zinc/36/96/28/895369628.db2.gz UGDJKKRSIGHQKQ-FPOVZHCZSA-N 2 1 399.604 3.558 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC001135851500 895412463 /nfs/dbraw/zinc/41/24/63/895412463.db2.gz KGIHBHJDGOZDHC-XZOQPEGZSA-N 2 1 385.596 3.853 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3cccc(SC)c3)CC2)CC1 ZINC000565183893 895447033 /nfs/dbraw/zinc/44/70/33/895447033.db2.gz WRDWJHZLZVSBHU-UHFFFAOYSA-N 2 1 375.582 3.568 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000565188771 895450186 /nfs/dbraw/zinc/45/01/86/895450186.db2.gz OUCWTTSCSJRQNG-PUHATCMVSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000565188771 895450191 /nfs/dbraw/zinc/45/01/91/895450191.db2.gz OUCWTTSCSJRQNG-PUHATCMVSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000565188771 895450197 /nfs/dbraw/zinc/45/01/97/895450197.db2.gz OUCWTTSCSJRQNG-PUHATCMVSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000565191953 895451912 /nfs/dbraw/zinc/45/19/12/895451912.db2.gz XTMHTEALCMCGKG-YKSBVNFPSA-N 2 1 393.575 3.916 20 0 GHADMP O[C@@H](C[C@H]1CCCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000817275163 895460411 /nfs/dbraw/zinc/46/04/11/895460411.db2.gz WTLZPZWABDCGPX-PKTZIBPZSA-N 2 1 398.547 3.980 20 0 GHADMP O[C@@H](C[C@H]1CCCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccco1 ZINC000817275163 895460421 /nfs/dbraw/zinc/46/04/21/895460421.db2.gz WTLZPZWABDCGPX-PKTZIBPZSA-N 2 1 398.547 3.980 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000565260711 895483124 /nfs/dbraw/zinc/48/31/24/895483124.db2.gz YZCPOLBZSIQLKI-SFHVURJKSA-N 2 1 395.551 3.593 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000565260711 895483133 /nfs/dbraw/zinc/48/31/33/895483133.db2.gz YZCPOLBZSIQLKI-SFHVURJKSA-N 2 1 395.551 3.593 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC(c1ccccc1)c1ccccc1 ZINC000565363098 895567539 /nfs/dbraw/zinc/56/75/39/895567539.db2.gz DSBNWARYEOTYDG-DHIUTWEWSA-N 2 1 391.559 3.604 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@H](C)C1 ZINC000289017404 914001236 /nfs/dbraw/zinc/00/12/36/914001236.db2.gz AMLROHICXBUUPY-ZBFHGGJFSA-N 2 1 386.483 3.510 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@H](C)C1 ZINC000289017404 914001266 /nfs/dbraw/zinc/00/12/66/914001266.db2.gz AMLROHICXBUUPY-ZBFHGGJFSA-N 2 1 386.483 3.510 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@H](C)C1 ZINC000289017404 914001284 /nfs/dbraw/zinc/00/12/84/914001284.db2.gz AMLROHICXBUUPY-ZBFHGGJFSA-N 2 1 386.483 3.510 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)[C@H](C)C1 ZINC000289017404 914001305 /nfs/dbraw/zinc/00/13/05/914001305.db2.gz AMLROHICXBUUPY-ZBFHGGJFSA-N 2 1 386.483 3.510 20 0 GHADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565712701 895829108 /nfs/dbraw/zinc/82/91/08/895829108.db2.gz ARGHXQXDGUQEDD-HKUYNNGSSA-N 2 1 397.485 3.647 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1F ZINC000565827539 895915330 /nfs/dbraw/zinc/91/53/30/895915330.db2.gz AGVFRRGNLHYTMB-REWPJTCUSA-N 3 1 392.478 3.665 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1OC ZINC000566010410 896046126 /nfs/dbraw/zinc/04/61/26/896046126.db2.gz SLUUBRYWUFAXPB-IAGOWNOFSA-N 2 1 387.549 3.649 20 0 GHADMP Cc1cc(N2CC[NH+]([C@@H]3CCc4ccc(Br)cc4C3)CC2)cc[nH+]1 ZINC001170889787 896056422 /nfs/dbraw/zinc/05/64/22/896056422.db2.gz PPAWLQLMIHZKNZ-LJQANCHMSA-N 2 1 386.337 3.832 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)cc3SC)CC2)CC1 ZINC000566464172 896326610 /nfs/dbraw/zinc/32/66/10/896326610.db2.gz BSLWFCNECDVBFC-UHFFFAOYSA-N 2 1 375.582 3.852 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000819190312 896460344 /nfs/dbraw/zinc/46/03/44/896460344.db2.gz OCLSBQPVTXSRSC-GREBRCKQSA-N 2 1 398.547 3.628 20 0 GHADMP COCc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000566726667 896528169 /nfs/dbraw/zinc/52/81/69/896528169.db2.gz PLGRDVNFEDSMHS-DEOSSOPVSA-N 2 1 394.559 3.851 20 0 GHADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000819329723 896574126 /nfs/dbraw/zinc/57/41/26/896574126.db2.gz WGAKZPYEVJDCCI-WVUPVLJSSA-N 2 1 398.522 3.741 20 0 GHADMP CC(C)C[C@@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000567135381 896902034 /nfs/dbraw/zinc/90/20/34/896902034.db2.gz NQPKOENNMDVTQA-QUCCMNQESA-N 2 1 397.567 3.784 20 0 GHADMP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCOCC2)cc1 ZINC000883189436 897354921 /nfs/dbraw/zinc/35/49/21/897354921.db2.gz HAGZUYNVTVIAIR-YADHBBJMSA-N 2 1 376.516 3.526 20 0 GHADMP [NH3+][C@@H](CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000567763219 897384614 /nfs/dbraw/zinc/38/46/14/897384614.db2.gz ROICMUFULXQEKJ-QHCPKHFHSA-N 2 1 379.548 3.634 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1sccc1C(F)F ZINC000820663036 897451036 /nfs/dbraw/zinc/45/10/36/897451036.db2.gz XHAPYBCIBGRZHO-UHFFFAOYSA-N 2 1 399.551 3.954 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000568608180 897978437 /nfs/dbraw/zinc/97/84/37/897978437.db2.gz QIFZZLLEEGZGPA-BOSCWZPRSA-N 2 1 392.547 3.701 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000568624562 897992087 /nfs/dbraw/zinc/99/20/87/897992087.db2.gz OWPMXWQPESQEIH-WZONZLPQSA-N 2 1 377.532 3.564 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210993 899196748 /nfs/dbraw/zinc/19/67/48/899196748.db2.gz QEMWIYDROMRXRZ-GOTSBHOMSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210993 899196755 /nfs/dbraw/zinc/19/67/55/899196755.db2.gz QEMWIYDROMRXRZ-GOTSBHOMSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210993 899196763 /nfs/dbraw/zinc/19/67/63/899196763.db2.gz QEMWIYDROMRXRZ-GOTSBHOMSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@@H]3C2)cc1 ZINC000570210993 899196766 /nfs/dbraw/zinc/19/67/66/899196766.db2.gz QEMWIYDROMRXRZ-GOTSBHOMSA-N 2 1 376.548 3.636 20 0 GHADMP CC(C)O[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@@H](OC(C)C)C3)ccc2F)C1 ZINC000570329124 899267159 /nfs/dbraw/zinc/26/71/59/899267159.db2.gz IXRBRLUABGNJPT-NHCUHLMSSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)O[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@@H](OC(C)C)C3)c2)C1 ZINC000570329124 899267167 /nfs/dbraw/zinc/26/71/67/899267167.db2.gz IXRBRLUABGNJPT-NHCUHLMSSA-N 2 1 378.532 3.824 20 0 GHADMP CC(C)O[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@@H](OC(C)C)C3)c2)C1 ZINC000570329124 899267173 /nfs/dbraw/zinc/26/71/73/899267173.db2.gz IXRBRLUABGNJPT-NHCUHLMSSA-N 2 1 378.532 3.824 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)[C@@H](C)c3ccccc3)CC2)cs1 ZINC000570564016 899393470 /nfs/dbraw/zinc/39/34/70/899393470.db2.gz FHDXYXWMIPXXMZ-UWJYYQICSA-N 2 1 387.593 3.672 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCC1 ZINC000824158413 899432295 /nfs/dbraw/zinc/43/22/95/899432295.db2.gz WDWVFIBSLUJXMN-UHFFFAOYSA-N 2 1 382.556 3.637 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761643 899567923 /nfs/dbraw/zinc/56/79/23/899567923.db2.gz CCSQZHLFJAFPAD-FUHWJXTLSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761643 899567931 /nfs/dbraw/zinc/56/79/31/899567931.db2.gz CCSQZHLFJAFPAD-FUHWJXTLSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761643 899567938 /nfs/dbraw/zinc/56/79/38/899567938.db2.gz CCSQZHLFJAFPAD-FUHWJXTLSA-N 2 1 378.442 3.807 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000571301205 899819241 /nfs/dbraw/zinc/81/92/41/899819241.db2.gz BHHJTHSETBSBCD-HXUWFJFHSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000571301205 899819249 /nfs/dbraw/zinc/81/92/49/899819249.db2.gz BHHJTHSETBSBCD-HXUWFJFHSA-N 2 1 377.532 3.629 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)C1 ZINC001136969760 899921013 /nfs/dbraw/zinc/92/10/13/899921013.db2.gz ASMVZTXQRFSFBI-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)C1 ZINC001136969760 899921024 /nfs/dbraw/zinc/92/10/24/899921024.db2.gz ASMVZTXQRFSFBI-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP Clc1cc(Cl)c2c(c1)CC[C@H]([NH+]1CCN(CC[NH+]3CCCC3)CC1)C2 ZINC001171089130 900166317 /nfs/dbraw/zinc/16/63/17/900166317.db2.gz YORGGYGCBOGIEE-SFHVURJKSA-N 2 1 382.379 3.564 20 0 GHADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCCC[NH+]3C3CCCC3)cc2)CC1 ZINC000825487053 900189522 /nfs/dbraw/zinc/18/95/22/900189522.db2.gz JYLYIPCFVCDRQX-JOCHJYFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)cc2)CC1 ZINC000825487053 900189530 /nfs/dbraw/zinc/18/95/30/900189530.db2.gz JYLYIPCFVCDRQX-JOCHJYFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000825487053 900189534 /nfs/dbraw/zinc/18/95/34/900189534.db2.gz JYLYIPCFVCDRQX-JOCHJYFZSA-N 2 1 384.568 3.564 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3OC3CCCC3)C2)nn1 ZINC000573070967 900366212 /nfs/dbraw/zinc/36/62/12/900366212.db2.gz FYZPSWNLUYDLIS-SFHVURJKSA-N 2 1 389.931 3.549 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OC3CCCC3)C2)nn1 ZINC000573070967 900366221 /nfs/dbraw/zinc/36/62/21/900366221.db2.gz FYZPSWNLUYDLIS-SFHVURJKSA-N 2 1 389.931 3.549 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(-c4ccccc4)o3)CC2)CC1 ZINC000573217644 900416878 /nfs/dbraw/zinc/41/68/78/900416878.db2.gz LSWMGPSLJUVQSF-UHFFFAOYSA-N 2 1 395.547 3.759 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000573370240 900479362 /nfs/dbraw/zinc/47/93/62/900479362.db2.gz WCVRFGJFSKTEOR-VKAVYKQESA-N 2 1 381.511 3.555 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000844327299 900698784 /nfs/dbraw/zinc/69/87/84/900698784.db2.gz POUCULKDLWZUIE-GOSISDBHSA-N 2 1 386.561 3.726 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844327299 900698795 /nfs/dbraw/zinc/69/87/95/900698795.db2.gz POUCULKDLWZUIE-GOSISDBHSA-N 2 1 386.561 3.726 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844327299 900698804 /nfs/dbraw/zinc/69/88/04/900698804.db2.gz POUCULKDLWZUIE-GOSISDBHSA-N 2 1 386.561 3.726 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(O)c4C)CC3)C2)c1 ZINC001144111956 901075802 /nfs/dbraw/zinc/07/58/02/901075802.db2.gz GAGCNDDXCGRKPF-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(O)c4C)CC3)C2)c1 ZINC001144111956 901075813 /nfs/dbraw/zinc/07/58/13/901075813.db2.gz GAGCNDDXCGRKPF-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000886503758 901092518 /nfs/dbraw/zinc/09/25/18/901092518.db2.gz DDPPWCRGGOQMEI-FXAWDEMLSA-N 2 1 396.535 3.669 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000886503758 901092527 /nfs/dbraw/zinc/09/25/27/901092527.db2.gz DDPPWCRGGOQMEI-FXAWDEMLSA-N 2 1 396.535 3.669 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000886504198 901092546 /nfs/dbraw/zinc/09/25/46/901092546.db2.gz VJMSWNIISFATAM-FQEVSTJZSA-N 2 1 396.535 3.526 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000075324994 901248735 /nfs/dbraw/zinc/24/87/35/901248735.db2.gz VKHDSLRJHDRZLY-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccccc1Oc1ccccc1 ZINC000575803433 901316600 /nfs/dbraw/zinc/31/66/00/901316600.db2.gz MZWUOUAZLSFKQQ-QHCPKHFHSA-N 2 1 379.504 3.883 20 0 GHADMP CC(C)n1ncc2cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197074 901795116 /nfs/dbraw/zinc/79/51/16/901795116.db2.gz UGXOSUJWYUFZMJ-GGAORHGYSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197074 901795125 /nfs/dbraw/zinc/79/51/25/901795125.db2.gz UGXOSUJWYUFZMJ-GGAORHGYSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197074 901795134 /nfs/dbraw/zinc/79/51/34/901795134.db2.gz UGXOSUJWYUFZMJ-GGAORHGYSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cnc21 ZINC000576197074 901795141 /nfs/dbraw/zinc/79/51/41/901795141.db2.gz UGXOSUJWYUFZMJ-GGAORHGYSA-N 2 1 389.547 3.966 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000576584469 902110076 /nfs/dbraw/zinc/11/00/76/902110076.db2.gz PEKMCJQTQXMDPG-VXKWHMMOSA-N 2 1 380.532 3.558 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000576584469 902110079 /nfs/dbraw/zinc/11/00/79/902110079.db2.gz PEKMCJQTQXMDPG-VXKWHMMOSA-N 2 1 380.532 3.558 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC001144450979 902210716 /nfs/dbraw/zinc/21/07/16/902210716.db2.gz KMMADQVJMAENBR-LEWJYISDSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC001144450979 902210724 /nfs/dbraw/zinc/21/07/24/902210724.db2.gz KMMADQVJMAENBR-LEWJYISDSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1 ZINC001144450979 902210736 /nfs/dbraw/zinc/21/07/36/902210736.db2.gz KMMADQVJMAENBR-LEWJYISDSA-N 2 1 396.506 3.956 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000576748649 902234167 /nfs/dbraw/zinc/23/41/67/902234167.db2.gz KPLURERRRAOWHL-NQRVTCLYSA-N 2 1 382.548 3.534 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576944625 902378661 /nfs/dbraw/zinc/37/86/61/902378661.db2.gz BMMMUVFDXRYQNJ-MXOMYUGUSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c[nH]c3cc(Br)cnc23)CC1 ZINC001144700495 902656956 /nfs/dbraw/zinc/65/69/56/902656956.db2.gz FSYXZSXAXFPUNN-UHFFFAOYSA-N 2 1 379.346 3.878 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@H]2CCC[C@@H]21 ZINC000846203020 902787921 /nfs/dbraw/zinc/78/79/21/902787921.db2.gz JUUQSDWQLDAMAA-HOJAQTOUSA-N 2 1 391.531 3.813 20 0 GHADMP CC[NH+](CC1(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)COC1)[C@H]1CCOC(C)(C)C1 ZINC000577545708 902872199 /nfs/dbraw/zinc/87/21/99/902872199.db2.gz BIWQITBBWPJBQL-PMACEKPBSA-N 2 1 396.616 3.562 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000779019573 902952878 /nfs/dbraw/zinc/95/28/78/902952878.db2.gz PKTBSUSJJPWMQZ-IEZWGBDMSA-N 2 1 388.556 3.692 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000779019573 902952885 /nfs/dbraw/zinc/95/28/85/902952885.db2.gz PKTBSUSJJPWMQZ-IEZWGBDMSA-N 2 1 388.556 3.692 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000130723540 903014945 /nfs/dbraw/zinc/01/49/45/903014945.db2.gz DBAIJICPKQGGRW-AWEZNQCLSA-N 2 1 393.329 3.612 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Br ZINC000130723540 903014959 /nfs/dbraw/zinc/01/49/59/903014959.db2.gz DBAIJICPKQGGRW-AWEZNQCLSA-N 2 1 393.329 3.612 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000290426686 914677384 /nfs/dbraw/zinc/67/73/84/914677384.db2.gz UWTIRGIVOZSQES-CVDCTZTESA-N 2 1 375.516 3.902 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cc4ccccc4n(C)c3=O)C2)s1 ZINC000577765573 903165611 /nfs/dbraw/zinc/16/56/11/903165611.db2.gz FTXMZDVFCPBLSA-GOSISDBHSA-N 2 1 395.572 3.862 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cc4ccccc4n(C)c3=O)C2)s1 ZINC000577765573 903165625 /nfs/dbraw/zinc/16/56/25/903165625.db2.gz FTXMZDVFCPBLSA-GOSISDBHSA-N 2 1 395.572 3.862 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cc4ccccc4n(C)c3=O)C2)s1 ZINC000577765573 903165637 /nfs/dbraw/zinc/16/56/37/903165637.db2.gz FTXMZDVFCPBLSA-GOSISDBHSA-N 2 1 395.572 3.862 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000577787180 903190409 /nfs/dbraw/zinc/19/04/09/903190409.db2.gz CEEURSMWAGCKRJ-WMZHIEFXSA-N 2 1 378.564 3.990 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000578034235 903460838 /nfs/dbraw/zinc/46/08/38/903460838.db2.gz XGZKTJLZWONACY-GNADVCDUSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000779056818 903618520 /nfs/dbraw/zinc/61/85/20/903618520.db2.gz AREJSQBOXJBTFQ-GXELDAJHSA-N 2 1 379.589 3.873 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000779056818 903618523 /nfs/dbraw/zinc/61/85/23/903618523.db2.gz AREJSQBOXJBTFQ-GXELDAJHSA-N 2 1 379.589 3.873 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147593 903702968 /nfs/dbraw/zinc/70/29/68/903702968.db2.gz RSMCLOWTJLNKNU-NHCUHLMSSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147593 903702977 /nfs/dbraw/zinc/70/29/77/903702977.db2.gz RSMCLOWTJLNKNU-NHCUHLMSSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147593 903702983 /nfs/dbraw/zinc/70/29/83/903702983.db2.gz RSMCLOWTJLNKNU-NHCUHLMSSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC/C=C/c3ccc(Br)cc3)C2)CC1 ZINC000265354342 903831327 /nfs/dbraw/zinc/83/13/27/903831327.db2.gz KGZAGOZQKORPBZ-GECPCNCSSA-N 2 1 392.385 3.564 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000779073170 903903865 /nfs/dbraw/zinc/90/38/65/903903865.db2.gz LJFOFKYGSUYEBO-WLRLJWMZSA-N 2 1 387.568 3.852 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000779073170 903903877 /nfs/dbraw/zinc/90/38/77/903903877.db2.gz LJFOFKYGSUYEBO-WLRLJWMZSA-N 2 1 387.568 3.852 20 0 GHADMP COc1cc(C[N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)ccc1OC(F)F ZINC000578513959 903922952 /nfs/dbraw/zinc/92/29/52/903922952.db2.gz UVMBPAWNNGRDDA-UHFFFAOYSA-N 2 1 388.418 3.818 20 0 GHADMP COc1cc(C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)ccc1OC(F)F ZINC000578513959 903922957 /nfs/dbraw/zinc/92/29/57/903922957.db2.gz UVMBPAWNNGRDDA-UHFFFAOYSA-N 2 1 388.418 3.818 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000048710929 904052075 /nfs/dbraw/zinc/05/20/75/904052075.db2.gz JODBLZMAFCFKML-UHFFFAOYSA-N 2 1 376.495 3.977 20 0 GHADMP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000151901970 904211705 /nfs/dbraw/zinc/21/17/05/904211705.db2.gz WVGLLJRQPVEKFE-JKSUJKDBSA-N 2 1 398.532 3.501 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CCc1ccc(F)cc1Cl ZINC000578943063 904240925 /nfs/dbraw/zinc/24/09/25/904240925.db2.gz ASLXFUVWSWJTOT-FQEVSTJZSA-N 2 1 376.903 3.768 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000773005376 904358134 /nfs/dbraw/zinc/35/81/34/904358134.db2.gz IWBMFMOTWYGBLJ-AVRDEDQJSA-N 2 1 381.520 3.908 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000773005376 904358147 /nfs/dbraw/zinc/35/81/47/904358147.db2.gz IWBMFMOTWYGBLJ-AVRDEDQJSA-N 2 1 381.520 3.908 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000646739571 914813185 /nfs/dbraw/zinc/81/31/85/914813185.db2.gz SJSGTQZXRMFWTF-IRXDYDNUSA-N 2 1 396.579 3.642 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000646739571 914813204 /nfs/dbraw/zinc/81/32/04/914813204.db2.gz SJSGTQZXRMFWTF-IRXDYDNUSA-N 2 1 396.579 3.642 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534235 904759085 /nfs/dbraw/zinc/75/90/85/904759085.db2.gz FOIKAOYATFKIJR-HTAPYJJXSA-N 2 1 396.497 3.784 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001171746837 904971565 /nfs/dbraw/zinc/97/15/65/904971565.db2.gz SUBOELGFNHSWCE-ZBCONREDSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171746837 904971574 /nfs/dbraw/zinc/97/15/74/904971574.db2.gz SUBOELGFNHSWCE-ZBCONREDSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171746837 904971577 /nfs/dbraw/zinc/97/15/77/904971577.db2.gz SUBOELGFNHSWCE-ZBCONREDSA-N 2 1 393.575 3.529 20 0 GHADMP CO[C@H](C[NH+]1CCN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001171759138 904993660 /nfs/dbraw/zinc/99/36/60/904993660.db2.gz HFIQDKINYVEIHW-GVXSCFBNSA-N 2 1 393.575 3.655 20 0 GHADMP CO[C@H](C[NH+]1CCN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001171759138 904993669 /nfs/dbraw/zinc/99/36/69/904993669.db2.gz HFIQDKINYVEIHW-GVXSCFBNSA-N 2 1 393.575 3.655 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3Cc4cccc(F)c4C3)C[C@H]21 ZINC001171801017 905062007 /nfs/dbraw/zinc/06/20/07/905062007.db2.gz GAKOKEVSOBGEOV-ZISUOPPCSA-N 2 1 379.523 3.920 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3Cc4cccc(F)c4C3)C[C@H]21 ZINC001171801017 905062023 /nfs/dbraw/zinc/06/20/23/905062023.db2.gz GAKOKEVSOBGEOV-ZISUOPPCSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@H]21 ZINC001171801017 905062041 /nfs/dbraw/zinc/06/20/41/905062041.db2.gz GAKOKEVSOBGEOV-ZISUOPPCSA-N 2 1 379.523 3.920 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3Cc4cccc(F)c4C3)C[C@H]21 ZINC001171801017 905062057 /nfs/dbraw/zinc/06/20/57/905062057.db2.gz GAKOKEVSOBGEOV-ZISUOPPCSA-N 2 1 379.523 3.920 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001171860962 905109493 /nfs/dbraw/zinc/10/94/93/905109493.db2.gz MBBRLZFZSQZGCE-QFIPXVFZSA-N 2 1 378.520 3.774 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171891899 905126286 /nfs/dbraw/zinc/12/62/86/905126286.db2.gz OFKCAAAWZYWDPZ-OAQYLSRUSA-N 2 1 392.547 3.624 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001171976427 905224179 /nfs/dbraw/zinc/22/41/79/905224179.db2.gz LCYWXAUFABPTOK-LEWJYISDSA-N 2 1 388.502 3.901 20 0 GHADMP CC1(C)C[C@H]([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979289 905227693 /nfs/dbraw/zinc/22/76/93/905227693.db2.gz OJRCGRVHMXEYTE-GOSISDBHSA-N 2 1 397.485 3.573 20 0 GHADMP CC1(C)C[C@H](N2CCC([NH3+])(Cc3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979184 905228530 /nfs/dbraw/zinc/22/85/30/905228530.db2.gz NWUTZIDEMSSBGK-HSZRJFAPSA-N 2 1 392.591 3.861 20 0 GHADMP COC(=O)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001171979694 905228964 /nfs/dbraw/zinc/22/89/64/905228964.db2.gz QDZFHIPHCHFPPV-FCHUYYIVSA-N 2 1 380.532 3.976 20 0 GHADMP CC(C)(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979805 905229043 /nfs/dbraw/zinc/22/90/43/905229043.db2.gz QZTSKVICXCTTMZ-YADHBBJMSA-N 2 1 387.612 3.766 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CCN(Cc3cccnc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981437 905234574 /nfs/dbraw/zinc/23/45/74/905234574.db2.gz XYLXYBPFFSWSIN-GOTSBHOMSA-N 2 1 378.564 3.689 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983745 905238715 /nfs/dbraw/zinc/23/87/15/905238715.db2.gz AGMIXRZKKVRJGN-LEWJYISDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983745 905238730 /nfs/dbraw/zinc/23/87/30/905238730.db2.gz AGMIXRZKKVRJGN-LEWJYISDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983745 905238740 /nfs/dbraw/zinc/23/87/40/905238740.db2.gz AGMIXRZKKVRJGN-LEWJYISDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983745 905238759 /nfs/dbraw/zinc/23/87/59/905238759.db2.gz AGMIXRZKKVRJGN-LEWJYISDSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(NC(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984648 905240142 /nfs/dbraw/zinc/24/01/42/905240142.db2.gz OCUNEVDDJLPRMU-QFIPXVFZSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(NC(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171986634 905244489 /nfs/dbraw/zinc/24/44/89/905244489.db2.gz JWHBJJMLUFLIQA-JOCHJYFZSA-N 2 1 398.595 3.699 20 0 GHADMP CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001172074288 905281799 /nfs/dbraw/zinc/28/17/99/905281799.db2.gz RUWJDDQXSGRMPP-STAYPELNSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@@]2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001172074288 905281816 /nfs/dbraw/zinc/28/18/16/905281816.db2.gz RUWJDDQXSGRMPP-STAYPELNSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001172074288 905281830 /nfs/dbraw/zinc/28/18/30/905281830.db2.gz RUWJDDQXSGRMPP-STAYPELNSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001172074288 905281845 /nfs/dbraw/zinc/28/18/45/905281845.db2.gz RUWJDDQXSGRMPP-STAYPELNSA-N 2 1 395.591 3.907 20 0 GHADMP N=c1nc([C@H]2CCC[NH2+]2)ccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075001 905283613 /nfs/dbraw/zinc/28/36/13/905283613.db2.gz NHAAEBUPJBZCNJ-PLACYPQZSA-N 2 1 377.536 3.545 20 0 GHADMP CC(C)(C(N)=O)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172075757 905288707 /nfs/dbraw/zinc/28/87/07/905288707.db2.gz STVSCNRRNDVGFF-ZBYYUNFXSA-N 2 1 383.580 3.796 20 0 GHADMP CN1CCC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1=O ZINC001172084619 905297648 /nfs/dbraw/zinc/29/76/48/905297648.db2.gz ZHWIKBCFHUOAHH-KOUNCHBCSA-N 2 1 381.564 3.516 20 0 GHADMP CN1C(=O)CC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@@H]21 ZINC001172087758 905301698 /nfs/dbraw/zinc/30/16/98/905301698.db2.gz LNQODXVHPIHOLQ-ZQGJOIPISA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@@H]21 ZINC001172087758 905301711 /nfs/dbraw/zinc/30/17/11/905301711.db2.gz LNQODXVHPIHOLQ-ZQGJOIPISA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@@H]21 ZINC001172087758 905301729 /nfs/dbraw/zinc/30/17/29/905301729.db2.gz LNQODXVHPIHOLQ-ZQGJOIPISA-N 2 1 381.564 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N(c2ccncn2)C2CC[NH2+]CC2)C3)cc1 ZINC001172090450 905308111 /nfs/dbraw/zinc/30/81/11/905308111.db2.gz VUTIKUIXFXDXPG-JKHIJQBDSA-N 2 1 391.563 3.621 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090994 905312516 /nfs/dbraw/zinc/31/25/16/905312516.db2.gz ZLIGXSIUQPVNBD-AFXVXQJMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090994 905312534 /nfs/dbraw/zinc/31/25/34/905312534.db2.gz ZLIGXSIUQPVNBD-AFXVXQJMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090994 905312546 /nfs/dbraw/zinc/31/25/46/905312546.db2.gz ZLIGXSIUQPVNBD-AFXVXQJMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090994 905312561 /nfs/dbraw/zinc/31/25/61/905312561.db2.gz ZLIGXSIUQPVNBD-AFXVXQJMSA-N 2 1 392.547 3.906 20 0 GHADMP COc1cccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172063282 905325427 /nfs/dbraw/zinc/32/54/27/905325427.db2.gz BPLIBSXPBYNSPH-KHUIQGCPSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172063282 905325446 /nfs/dbraw/zinc/32/54/46/905325446.db2.gz BPLIBSXPBYNSPH-KHUIQGCPSA-N 2 1 380.532 3.904 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)CC1 ZINC001172102179 905349737 /nfs/dbraw/zinc/34/97/37/905349737.db2.gz LERABTFPMGBQHP-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3Cc4ccc(F)cc4C3=O)CC1)C2 ZINC001172112308 905360001 /nfs/dbraw/zinc/36/00/01/905360001.db2.gz UKZYGHLZHRMRRC-YXOJAJARSA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3Cc4ccc(F)cc4C3=O)CC1)C2 ZINC001172112308 905360014 /nfs/dbraw/zinc/36/00/14/905360014.db2.gz UKZYGHLZHRMRRC-YXOJAJARSA-N 2 1 385.527 3.698 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3Cc4cccc(F)c4C3=O)CC1)C2 ZINC001172115646 905368117 /nfs/dbraw/zinc/36/81/17/905368117.db2.gz UTVAHBLMAQOWFQ-CCQCEHTISA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3Cc4cccc(F)c4C3=O)CC1)C2 ZINC001172115646 905368129 /nfs/dbraw/zinc/36/81/29/905368129.db2.gz UTVAHBLMAQOWFQ-CCQCEHTISA-N 2 1 385.527 3.698 20 0 GHADMP Cc1ccc(C[NH+]2CCOC3(CCN([C@@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)CC3)C2)cc1 ZINC001172117463 905371928 /nfs/dbraw/zinc/37/19/28/905371928.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 2 1 397.607 3.677 20 0 GHADMP Cc1ccc(C[N@@H+]2CCOC3(CCN([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001172117463 905371933 /nfs/dbraw/zinc/37/19/33/905371933.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 2 1 397.607 3.677 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN([C@@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)CC3)C2)cc1 ZINC001172117463 905371945 /nfs/dbraw/zinc/37/19/45/905371945.db2.gz QIVMHMLIENSPHL-BKFWDETESA-N 2 1 397.607 3.677 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122034 905384269 /nfs/dbraw/zinc/38/42/69/905384269.db2.gz VRADTDKFPGAYGS-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122034 905384288 /nfs/dbraw/zinc/38/42/88/905384288.db2.gz VRADTDKFPGAYGS-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CCCCN3C(=O)OC(C)(C)C)C2 ZINC001172122034 905384297 /nfs/dbraw/zinc/38/42/97/905384297.db2.gz VRADTDKFPGAYGS-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@H]4CCN5C(=O)CC[C@@H]5C4)CC3)C2)cc1 ZINC001172172512 905394798 /nfs/dbraw/zinc/39/47/98/905394798.db2.gz FHGYDKSQXRHTIR-XZOQPEGZSA-N 2 1 395.591 3.826 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2C[C@H]3CC[N@@H+](C2)[C@@H]3C)CC1 ZINC001172214822 905417089 /nfs/dbraw/zinc/41/70/89/905417089.db2.gz CNFSVBOMWHQLBA-PZVDZBELSA-N 2 1 390.955 3.766 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)CC1 ZINC001172215869 905419224 /nfs/dbraw/zinc/41/92/24/905419224.db2.gz MALISNXLLRKMLH-CMRPQRIMSA-N 2 1 390.955 3.719 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H](C)CCOC(C)C)CC2 ZINC001172444999 905562718 /nfs/dbraw/zinc/56/27/18/905562718.db2.gz AYIJOCINGUOBQT-IFMALSPDSA-N 2 1 389.584 3.588 20 0 GHADMP c1ccc([C@@H]2CCC[C@H]([N@H+]3CCc4nnc(CN5CCCCC5)n4CC3)C2)cc1 ZINC001172544310 905649444 /nfs/dbraw/zinc/64/94/44/905649444.db2.gz SQEMDLPGEGCNQH-YADHBBJMSA-N 2 1 393.579 3.849 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667582 905752127 /nfs/dbraw/zinc/75/21/27/905752127.db2.gz GRVVTEUXFYSBAK-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667582 905752144 /nfs/dbraw/zinc/75/21/44/905752144.db2.gz GRVVTEUXFYSBAK-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826513 905856156 /nfs/dbraw/zinc/85/61/56/905856156.db2.gz CITVDYVKAMKIDW-REWPJTCUSA-N 2 1 384.564 3.592 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826513 905856168 /nfs/dbraw/zinc/85/61/68/905856168.db2.gz CITVDYVKAMKIDW-REWPJTCUSA-N 2 1 384.564 3.592 20 0 GHADMP Cc1ccc2c(c1)C[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)CC2 ZINC001172831030 905861405 /nfs/dbraw/zinc/86/14/05/905861405.db2.gz FCECSPIFQJIEIR-QFIPXVFZSA-N 2 1 378.564 3.593 20 0 GHADMP CO[C@@H]1CCC[C@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C1 ZINC001172933934 906001491 /nfs/dbraw/zinc/00/14/91/906001491.db2.gz CCFCEQOAWWAPTO-GBESFXJTSA-N 2 1 378.582 3.761 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)CC1 ZINC000628237895 906023473 /nfs/dbraw/zinc/02/34/73/906023473.db2.gz CWUKWGXQZMRZKS-UHFFFAOYSA-N 2 1 375.504 3.616 20 0 GHADMP Cc1ccc[nH+]c1N([C@H](C)CCN(C)C(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC001172967896 906029873 /nfs/dbraw/zinc/02/98/73/906029873.db2.gz MHQZFJSKZGIYAT-QGZVFWFLSA-N 2 1 376.545 3.594 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172951679 906056767 /nfs/dbraw/zinc/05/67/67/906056767.db2.gz VWJDNCGIFBFILM-KRWDZBQOSA-N 2 1 376.545 3.594 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172958233 906065914 /nfs/dbraw/zinc/06/59/14/906065914.db2.gz XOGPMUBGFCVFRR-IHPCNDPISA-N 2 1 390.572 3.799 20 0 GHADMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001172999620 906072811 /nfs/dbraw/zinc/07/28/11/906072811.db2.gz VMLGKAPQBKVXSM-UHFFFAOYSA-N 2 1 399.485 3.519 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173060530 906130528 /nfs/dbraw/zinc/13/05/28/906130528.db2.gz ABPFCFQEOYTHGC-PKOBYXMFSA-N 2 1 388.556 3.736 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173067089 906146563 /nfs/dbraw/zinc/14/65/63/906146563.db2.gz IDRMVXALUUTFBA-WMZOPIPTSA-N 2 1 388.556 3.717 20 0 GHADMP CCN1CC[C@@]2(C[N@H+](C3CCC([NH+](CC)CC)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001173109876 906196775 /nfs/dbraw/zinc/19/67/75/906196775.db2.gz DWCPKVFOFCBXKR-WZCQUIKNSA-N 2 1 397.607 3.977 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173110489 906197460 /nfs/dbraw/zinc/19/74/60/906197460.db2.gz TYCCGZKPEFLZSD-OBFZPWGMSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001173113238 906200759 /nfs/dbraw/zinc/20/07/59/906200759.db2.gz IFEMLBNETAYLKS-OFLPRAFFSA-N 2 1 389.531 3.874 20 0 GHADMP CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173117618 906204722 /nfs/dbraw/zinc/20/47/22/906204722.db2.gz PJQSFBZKPJWUTB-OBFZPWGMSA-N 2 1 388.552 3.811 20 0 GHADMP CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173117618 906204734 /nfs/dbraw/zinc/20/47/34/906204734.db2.gz PJQSFBZKPJWUTB-OBFZPWGMSA-N 2 1 388.552 3.811 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001173673795 906610682 /nfs/dbraw/zinc/61/06/82/906610682.db2.gz UHJKPQLCRPTJTD-UHFFFAOYSA-N 2 1 381.486 3.536 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2Br)CC1 ZINC000299224882 921258757 /nfs/dbraw/zinc/25/87/57/921258757.db2.gz IVRSAAWXSWIGJJ-UHFFFAOYSA-N 2 1 382.346 3.584 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718729 906669258 /nfs/dbraw/zinc/66/92/58/906669258.db2.gz LWPDOSGQSLAPNF-AHRSYUTCSA-N 2 1 384.545 3.530 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718729 906669263 /nfs/dbraw/zinc/66/92/63/906669263.db2.gz LWPDOSGQSLAPNF-AHRSYUTCSA-N 2 1 384.545 3.530 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718729 906669274 /nfs/dbraw/zinc/66/92/74/906669274.db2.gz LWPDOSGQSLAPNF-AHRSYUTCSA-N 2 1 384.545 3.530 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001173718729 906669280 /nfs/dbraw/zinc/66/92/80/906669280.db2.gz LWPDOSGQSLAPNF-AHRSYUTCSA-N 2 1 384.545 3.530 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)[C@@H](C)C1 ZINC001173777306 906703924 /nfs/dbraw/zinc/70/39/24/906703924.db2.gz GLLASKAMSWBVQH-MGPUTAFESA-N 2 1 395.950 3.792 20 0 GHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c(C)c1 ZINC000180740908 906833590 /nfs/dbraw/zinc/83/35/90/906833590.db2.gz LVURZYXROFLEJE-HXUWFJFHSA-N 2 1 387.568 3.645 20 0 GHADMP C[NH2+][C@H](C)Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC000629675897 906951605 /nfs/dbraw/zinc/95/16/05/906951605.db2.gz HZOWIYZLYLTLEQ-KBAYOESNSA-N 2 1 382.533 3.665 20 0 GHADMP C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(NC(=O)C3CC[NH2+]CC3)nc2)c1 ZINC000629702604 906969650 /nfs/dbraw/zinc/96/96/50/906969650.db2.gz QJTWPGNUCRDYEO-QGZVFWFLSA-N 2 1 378.520 3.671 20 0 GHADMP C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000181312083 906972004 /nfs/dbraw/zinc/97/20/04/906972004.db2.gz PFPYBEKIBTZHTC-MRXNPFEDSA-N 2 1 382.533 3.996 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000779478581 907295656 /nfs/dbraw/zinc/29/56/56/907295656.db2.gz QFRBNAAJSSUMNA-GHTZIAJQSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000779478581 907295659 /nfs/dbraw/zinc/29/56/59/907295659.db2.gz QFRBNAAJSSUMNA-GHTZIAJQSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000779478581 907295670 /nfs/dbraw/zinc/29/56/70/907295670.db2.gz QFRBNAAJSSUMNA-GHTZIAJQSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)CC2CN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000779478581 907295682 /nfs/dbraw/zinc/29/56/82/907295682.db2.gz QFRBNAAJSSUMNA-GHTZIAJQSA-N 2 1 387.568 3.838 20 0 GHADMP CC1(C)C[N@H+](CC(=O)Nc2ccccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174983133 907332815 /nfs/dbraw/zinc/33/28/15/907332815.db2.gz DDYVIBLTGTXZSZ-HSZRJFAPSA-N 2 1 392.547 3.643 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)Nc2ccccn2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174983133 907332834 /nfs/dbraw/zinc/33/28/34/907332834.db2.gz DDYVIBLTGTXZSZ-HSZRJFAPSA-N 2 1 392.547 3.643 20 0 GHADMP COc1cc(Br)ccc1CCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175070452 907366503 /nfs/dbraw/zinc/36/65/03/907366503.db2.gz UZKSRQUXRPFPMZ-RTBURBONSA-N 2 1 381.358 3.664 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001175070452 907366524 /nfs/dbraw/zinc/36/65/24/907366524.db2.gz UZKSRQUXRPFPMZ-RTBURBONSA-N 2 1 381.358 3.664 20 0 GHADMP COc1cc(F)cc(OC)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000631131724 907598478 /nfs/dbraw/zinc/59/84/78/907598478.db2.gz ZRBMKXZZSSSNES-UHFFFAOYSA-N 2 1 388.483 3.606 20 0 GHADMP C[NH+](C)CCCOc1ccc(Nc2c[nH+]c3ccc(Br)cn23)cn1 ZINC001176354781 908069536 /nfs/dbraw/zinc/06/95/36/908069536.db2.gz QNQJTEZLZRLHEW-UHFFFAOYSA-N 2 1 390.285 3.566 20 0 GHADMP CN(C)c1cccc(Cl)c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001177104587 908409658 /nfs/dbraw/zinc/40/96/58/908409658.db2.gz XVFYDEVNVCBKOH-IBGZPJMESA-N 2 1 393.000 3.546 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001177294093 908499167 /nfs/dbraw/zinc/49/91/67/908499167.db2.gz DPQREMJJZZTNLK-OAQYLSRUSA-N 2 1 395.591 3.944 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001177294945 908499336 /nfs/dbraw/zinc/49/93/36/908499336.db2.gz TXJCMJYEVCMPPB-DEOSSOPVSA-N 2 1 386.628 3.819 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCS2 ZINC000191489037 908631409 /nfs/dbraw/zinc/63/14/09/908631409.db2.gz IYMSBVQVTBCJHK-NRFANRHFSA-N 2 1 384.545 3.854 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001177910442 908795993 /nfs/dbraw/zinc/79/59/93/908795993.db2.gz APNYVPJKTGFZKT-LOSJGSFVSA-N 2 1 387.527 3.721 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001177910442 908796004 /nfs/dbraw/zinc/79/60/04/908796004.db2.gz APNYVPJKTGFZKT-LOSJGSFVSA-N 2 1 387.527 3.721 20 0 GHADMP COc1ccc(OCc2nc(C[NH2+]CCCCn3cc[nH+]c3C)cs2)cc1 ZINC000266168107 909025150 /nfs/dbraw/zinc/02/51/50/909025150.db2.gz QAHPKDYVANIVFT-UHFFFAOYSA-N 2 1 386.521 3.806 20 0 GHADMP CCOc1c(OC)cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC001178458181 909061349 /nfs/dbraw/zinc/06/13/49/909061349.db2.gz TYPNXNGTOCCVEW-WMZOPIPTSA-N 2 1 376.541 3.845 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000268174390 909787844 /nfs/dbraw/zinc/78/78/44/909787844.db2.gz VNRYADYBPRJZSD-IHWFROFDSA-N 2 1 383.561 3.735 20 0 GHADMP Cc1cc(CN)oc1C(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000638066267 910044848 /nfs/dbraw/zinc/04/48/48/910044848.db2.gz GDSCKTYRQQRGOU-LJQANCHMSA-N 2 1 395.528 3.638 20 0 GHADMP CCN(CC)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001274451100 910067144 /nfs/dbraw/zinc/06/71/44/910067144.db2.gz KWRVRONQFWINGQ-PZJWPPBQSA-N 2 1 377.960 3.667 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)ncn1 ZINC000269006661 910100008 /nfs/dbraw/zinc/10/00/08/910100008.db2.gz WFVXBVZNKHYLPK-XXBNENTESA-N 2 1 393.579 3.508 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)ncn1 ZINC000269006661 910100014 /nfs/dbraw/zinc/10/00/14/910100014.db2.gz WFVXBVZNKHYLPK-XXBNENTESA-N 2 1 393.579 3.508 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCc3nnc4n3CCCCC4)CC[N@@H+]2C2CC2)cc1 ZINC000638341961 910126060 /nfs/dbraw/zinc/12/60/60/910126060.db2.gz FHJAFXBYPQVTCR-CTNGQTDRSA-N 2 1 379.552 3.505 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCc3nnc4n3CCCCC4)CC[N@H+]2C2CC2)cc1 ZINC000638341961 910126070 /nfs/dbraw/zinc/12/60/70/910126070.db2.gz FHJAFXBYPQVTCR-CTNGQTDRSA-N 2 1 379.552 3.505 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccn(C(F)F)c3=O)cc2)C1 ZINC000638363571 910134125 /nfs/dbraw/zinc/13/41/25/910134125.db2.gz OYVDCCVFYLTGIP-MRXNPFEDSA-N 2 1 375.463 3.765 20 0 GHADMP CCOc1ccc(Oc2cc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)ccn2)cc1 ZINC000638389732 910142513 /nfs/dbraw/zinc/14/25/13/910142513.db2.gz HZMQRVQQBXNAGW-UHFFFAOYSA-N 2 1 399.535 3.598 20 0 GHADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)c2)cc1 ZINC000638391324 910143318 /nfs/dbraw/zinc/14/33/18/910143318.db2.gz PEHOJNHUSYKDFO-UHFFFAOYSA-N 2 1 395.547 3.572 20 0 GHADMP CCCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000246560851 910374175 /nfs/dbraw/zinc/37/41/75/910374175.db2.gz UJEAWAUBOBTPKD-WVUPVLJSSA-N 2 1 383.580 3.810 20 0 GHADMP C[N@@H+](CCC(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC001181138794 910566323 /nfs/dbraw/zinc/56/63/23/910566323.db2.gz UINMXOFKWKMGBN-UHFFFAOYSA-N 2 1 391.559 3.558 20 0 GHADMP C[NH+](CCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC001181138794 910566341 /nfs/dbraw/zinc/56/63/41/910566341.db2.gz UINMXOFKWKMGBN-UHFFFAOYSA-N 2 1 391.559 3.558 20 0 GHADMP C[NH+](CCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC001181138794 910566351 /nfs/dbraw/zinc/56/63/51/910566351.db2.gz UINMXOFKWKMGBN-UHFFFAOYSA-N 2 1 391.559 3.558 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001181471391 910782677 /nfs/dbraw/zinc/78/26/77/910782677.db2.gz FJPGHPMUGDRXBK-UXPWSPDFSA-N 2 1 394.401 3.904 20 0 GHADMP Cc1sccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000640466632 911035819 /nfs/dbraw/zinc/03/58/19/911035819.db2.gz PVYJRYGMEFRJHR-UHFFFAOYSA-N 2 1 378.586 3.717 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000801922061 921630327 /nfs/dbraw/zinc/63/03/27/921630327.db2.gz DVIYWTWGBKWBJX-WOJBJXKFSA-N 2 1 379.589 3.974 20 0 GHADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C(=O)OC)c1ccccc1C ZINC000466799765 911632266 /nfs/dbraw/zinc/63/22/66/911632266.db2.gz ASABBCINNHDDNN-JOCHJYFZSA-N 2 1 381.520 3.843 20 0 GHADMP CCN(CC1CCN(c2ccccn2)CC1)[C@@H](C(=O)OC)c1ccccc1C ZINC000466799765 911632276 /nfs/dbraw/zinc/63/22/76/911632276.db2.gz ASABBCINNHDDNN-JOCHJYFZSA-N 2 1 381.520 3.843 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000774389865 911731918 /nfs/dbraw/zinc/73/19/18/911731918.db2.gz CLAMFEXEPFCJQX-RJGXRXQPSA-N 2 1 384.564 3.810 20 0 GHADMP COc1ncc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1Cl ZINC000284166561 911777293 /nfs/dbraw/zinc/77/72/93/911777293.db2.gz FEOONNIUPHMNQL-CQSZACIVSA-N 2 1 392.931 3.911 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284285548 911813590 /nfs/dbraw/zinc/81/35/90/911813590.db2.gz XPGYXXNHFSRYHF-GOSISDBHSA-N 2 1 387.568 3.539 20 0 GHADMP [NH3+]C1CCC(N(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001182559481 911865431 /nfs/dbraw/zinc/86/54/31/911865431.db2.gz OHERKYIFMUVJIJ-KUADZGEYSA-N 2 1 381.564 3.515 20 0 GHADMP CC[NH+](CC)CCNC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001186935905 914883855 /nfs/dbraw/zinc/88/38/55/914883855.db2.gz QYGHOCNWGVWJQN-OFNKIYASSA-N 2 1 393.575 3.944 20 0 GHADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647179108 915072051 /nfs/dbraw/zinc/07/20/51/915072051.db2.gz AAMYCGIVOABTDX-LEWJYISDSA-N 2 1 378.516 3.786 20 0 GHADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647179108 915072070 /nfs/dbraw/zinc/07/20/70/915072070.db2.gz AAMYCGIVOABTDX-LEWJYISDSA-N 2 1 378.516 3.786 20 0 GHADMP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(-c2ccc(F)cc2)n1 ZINC000647249251 915105519 /nfs/dbraw/zinc/10/55/19/915105519.db2.gz NKLOGGXDZWFMAN-KNQAVFIVSA-N 2 1 378.495 3.661 20 0 GHADMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccs1 ZINC000647334806 915159296 /nfs/dbraw/zinc/15/92/96/915159296.db2.gz SGDJIBHXGICENC-QFUCXCTJSA-N 2 1 385.577 3.643 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344373 915166900 /nfs/dbraw/zinc/16/69/00/915166900.db2.gz PFNCKRLDXYGPHT-PQVVKJAFSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344373 915166904 /nfs/dbraw/zinc/16/69/04/915166904.db2.gz PFNCKRLDXYGPHT-PQVVKJAFSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344373 915166912 /nfs/dbraw/zinc/16/69/12/915166912.db2.gz PFNCKRLDXYGPHT-PQVVKJAFSA-N 2 1 377.576 3.832 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)c2)cc1 ZINC000647482407 915295101 /nfs/dbraw/zinc/29/51/01/915295101.db2.gz CJGXBXZTMJRYFL-UHFFFAOYSA-N 2 1 379.504 3.664 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c2)cc1 ZINC000647482407 915295115 /nfs/dbraw/zinc/29/51/15/915295115.db2.gz CJGXBXZTMJRYFL-UHFFFAOYSA-N 2 1 379.504 3.664 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000647900652 915430778 /nfs/dbraw/zinc/43/07/78/915430778.db2.gz DKPRRLLCCQDBJA-SXWKCWPCSA-N 2 1 397.588 3.808 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000647907673 915433777 /nfs/dbraw/zinc/43/37/77/915433777.db2.gz BBNPILGMRFDHIM-MXBUBSDBSA-N 2 1 393.531 3.824 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000647907673 915433785 /nfs/dbraw/zinc/43/37/85/915433785.db2.gz BBNPILGMRFDHIM-MXBUBSDBSA-N 2 1 393.531 3.824 20 0 GHADMP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000292362916 915636347 /nfs/dbraw/zinc/63/63/47/915636347.db2.gz YVNABOYLJWHDPE-GHTZIAJQSA-N 2 1 376.516 3.528 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000648736327 915846355 /nfs/dbraw/zinc/84/63/55/915846355.db2.gz QOERLBFLSFCXSI-MOPGFXCFSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000648736327 915846367 /nfs/dbraw/zinc/84/63/67/915846367.db2.gz QOERLBFLSFCXSI-MOPGFXCFSA-N 2 1 382.552 3.945 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC001188300690 915875580 /nfs/dbraw/zinc/87/55/80/915875580.db2.gz JXCBZZHTOUXCNE-QHCPKHFHSA-N 2 1 377.532 3.625 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2)CC1 ZINC001188300690 915875602 /nfs/dbraw/zinc/87/56/02/915875602.db2.gz JXCBZZHTOUXCNE-QHCPKHFHSA-N 2 1 377.532 3.625 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])c3cccc(Cl)c3)cc2)C1 ZINC000649345845 916108032 /nfs/dbraw/zinc/10/80/32/916108032.db2.gz PLANYBVNSKVVKJ-MGPUTAFESA-N 2 1 387.911 3.699 20 0 GHADMP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708156 917243680 /nfs/dbraw/zinc/24/36/80/917243680.db2.gz UKEAWGRGHNEOJR-XKQJLSEDSA-N 2 1 399.398 3.889 20 0 GHADMP CSc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708154 917243730 /nfs/dbraw/zinc/24/37/30/917243730.db2.gz UKEAWGRGHNEOJR-JQFCIGGWSA-N 2 1 399.398 3.889 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OCC ZINC000650708409 917244265 /nfs/dbraw/zinc/24/42/65/917244265.db2.gz ZEBBGDAUKAMMRE-VWPQPMDRSA-N 2 1 390.568 3.983 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650708084 917245421 /nfs/dbraw/zinc/24/54/21/917245421.db2.gz SWUBKFBXMUEOJR-TUNNFDKTSA-N 2 1 380.536 3.568 20 0 GHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001190828575 917585729 /nfs/dbraw/zinc/58/57/29/917585729.db2.gz XAKZUWUBLFNKAB-UXHICEINSA-N 2 1 394.987 3.976 20 0 GHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC001190828575 917585746 /nfs/dbraw/zinc/58/57/46/917585746.db2.gz XAKZUWUBLFNKAB-UXHICEINSA-N 2 1 394.987 3.976 20 0 GHADMP CC1CCC(OC2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001190935087 917648336 /nfs/dbraw/zinc/64/83/36/917648336.db2.gz PZVCIODOIJWKDB-JVPYDEADSA-N 2 1 386.580 3.683 20 0 GHADMP CC1CCC(OC2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001190935087 917648344 /nfs/dbraw/zinc/64/83/44/917648344.db2.gz PZVCIODOIJWKDB-JVPYDEADSA-N 2 1 386.580 3.683 20 0 GHADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3Sc3ccccc3)C2)CC1 ZINC000363054148 917690149 /nfs/dbraw/zinc/69/01/49/917690149.db2.gz QUPKHFJAIKJZQD-GOSISDBHSA-N 2 1 395.572 3.736 20 0 GHADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3Sc3ccccc3)C2)CC1 ZINC000363054148 917690159 /nfs/dbraw/zinc/69/01/59/917690159.db2.gz QUPKHFJAIKJZQD-GOSISDBHSA-N 2 1 395.572 3.736 20 0 GHADMP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000651692120 917695550 /nfs/dbraw/zinc/69/55/50/917695550.db2.gz UUFREYUINWUUNC-OAHLLOKOSA-N 2 1 378.513 3.906 20 0 GHADMP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000651692120 917695551 /nfs/dbraw/zinc/69/55/51/917695551.db2.gz UUFREYUINWUUNC-OAHLLOKOSA-N 2 1 378.513 3.906 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000652172797 917827462 /nfs/dbraw/zinc/82/74/62/917827462.db2.gz LLKXDSDGFLRSRK-FPOVZHCZSA-N 2 1 394.563 3.506 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC001191417096 917992376 /nfs/dbraw/zinc/99/23/76/917992376.db2.gz MRNABDGGRWOJDQ-RRQGHBQHSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC001191417096 917992386 /nfs/dbraw/zinc/99/23/86/917992386.db2.gz MRNABDGGRWOJDQ-RRQGHBQHSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC001191417096 917992400 /nfs/dbraw/zinc/99/24/00/917992400.db2.gz MRNABDGGRWOJDQ-RRQGHBQHSA-N 2 1 375.340 3.538 20 0 GHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653617208 918360520 /nfs/dbraw/zinc/36/05/20/918360520.db2.gz JVFWXMOSTVTVDY-UYAOXDASSA-N 2 1 381.524 3.863 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(Br)cc2Br)CC1 ZINC001205578657 918388949 /nfs/dbraw/zinc/38/89/49/918388949.db2.gz IEZWDEMERQBWJC-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Br)cc2Br)CC1 ZINC001205578657 918388968 /nfs/dbraw/zinc/38/89/68/918388968.db2.gz IEZWDEMERQBWJC-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C3CC3)C3CCC(C)CC3)CC2)CC1 ZINC000654635038 919260854 /nfs/dbraw/zinc/26/08/54/919260854.db2.gz DAXIDWOBDIZQII-UHFFFAOYSA-N 2 1 375.601 3.752 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000380570190 919305209 /nfs/dbraw/zinc/30/52/09/919305209.db2.gz HUYYFLFRJOPIPI-QRVBRYPASA-N 2 1 376.545 3.739 20 0 GHADMP CCO[C@@H]1C[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@@H]1SC ZINC000298261697 920352408 /nfs/dbraw/zinc/35/24/08/920352408.db2.gz FRRDKVSIJDAKQP-HBMCJLEFSA-N 2 1 377.598 3.786 20 0 GHADMP Brc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)cc1 ZINC000298538282 920644169 /nfs/dbraw/zinc/64/41/69/920644169.db2.gz STPRMAMGSQPUSN-UHFFFAOYSA-N 2 1 393.369 3.714 20 0 GHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OCc1cccnc1 ZINC000366956694 921839463 /nfs/dbraw/zinc/83/94/63/921839463.db2.gz VTLHAIRWTGFODJ-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000367864952 922341975 /nfs/dbraw/zinc/34/19/75/922341975.db2.gz CTUUXBAWHBUFCL-QUFMSWDXSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000367864952 922341985 /nfs/dbraw/zinc/34/19/85/922341985.db2.gz CTUUXBAWHBUFCL-QUFMSWDXSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000367864952 922341995 /nfs/dbraw/zinc/34/19/95/922341995.db2.gz CTUUXBAWHBUFCL-QUFMSWDXSA-N 2 1 398.595 3.828 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@]23CCOC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000903098977 922770892 /nfs/dbraw/zinc/77/08/92/922770892.db2.gz WNGPKGHJRXNXSE-LMCOJAPRSA-N 2 1 398.469 3.626 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@]23CCOC3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000903098977 922770903 /nfs/dbraw/zinc/77/09/03/922770903.db2.gz WNGPKGHJRXNXSE-LMCOJAPRSA-N 2 1 398.469 3.626 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc(Br)c1OC ZINC000903118811 922787860 /nfs/dbraw/zinc/78/78/60/922787860.db2.gz ZLCJSDUBSPKSOD-VHRNVKJDSA-N 2 1 395.341 3.714 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc(Br)c1OC ZINC000903118811 922787864 /nfs/dbraw/zinc/78/78/64/922787864.db2.gz ZLCJSDUBSPKSOD-VHRNVKJDSA-N 2 1 395.341 3.714 20 0 GHADMP CCCOc1c(OC)cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000903178040 922835460 /nfs/dbraw/zinc/83/54/60/922835460.db2.gz CVTHPSFWBMEGBV-CTXDPNEZSA-N 2 1 388.552 3.783 20 0 GHADMP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792742 923298434 /nfs/dbraw/zinc/29/84/34/923298434.db2.gz IKQCEHHZGAICQX-QGZVFWFLSA-N 2 1 385.939 3.968 20 0 GHADMP C[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000903921087 923401218 /nfs/dbraw/zinc/40/12/18/923401218.db2.gz MTPZMFRPKDTXBK-WMZOPIPTSA-N 2 1 395.482 3.985 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1c1ccc(Oc2ccccc2)cc1 ZINC000677238017 924295085 /nfs/dbraw/zinc/29/50/85/924295085.db2.gz UVMSGIFJLSQWOM-IRFCIJBXSA-N 2 1 391.515 3.801 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CN1c1ccc(Oc2ccccc2)cc1 ZINC000677238017 924295097 /nfs/dbraw/zinc/29/50/97/924295097.db2.gz UVMSGIFJLSQWOM-IRFCIJBXSA-N 2 1 391.515 3.801 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CN(Cc4ccccc4)C(C)(C)C3)CC2)nc(C)[nH+]1 ZINC000677748862 924477243 /nfs/dbraw/zinc/47/72/43/924477243.db2.gz AKKWVBLGPXZYDD-JOCHJYFZSA-N 2 1 393.579 3.705 20 0 GHADMP c1cc(C[NH+]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cs1 ZINC000678127492 924621548 /nfs/dbraw/zinc/62/15/48/924621548.db2.gz DMIUXYRAHSLMHH-UHFFFAOYSA-N 2 1 385.577 3.541 20 0 GHADMP c1cc(CN2CC[NH+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cs1 ZINC000678127492 924621566 /nfs/dbraw/zinc/62/15/66/924621566.db2.gz DMIUXYRAHSLMHH-UHFFFAOYSA-N 2 1 385.577 3.541 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000678298940 924714485 /nfs/dbraw/zinc/71/44/85/924714485.db2.gz WOEJTUPPXDRAPQ-FQEVSTJZSA-N 2 1 396.535 3.801 20 0 GHADMP O=C(Nc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1)c1ccc(Cl)cc1Cl ZINC000678343381 924734658 /nfs/dbraw/zinc/73/46/58/924734658.db2.gz SHORTDIVUCUQJK-HUUCEWRRSA-N 2 1 390.314 3.897 20 0 GHADMP CCc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000371856502 924914544 /nfs/dbraw/zinc/91/45/44/924914544.db2.gz TUEBTJGBIAHUGQ-UHFFFAOYSA-N 2 1 386.584 3.909 20 0 GHADMP O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000679394884 925122661 /nfs/dbraw/zinc/12/26/61/925122661.db2.gz RJLOUTGWGAFRTA-ODAXIHTASA-N 2 1 381.564 3.563 20 0 GHADMP C[N@H+]1CCCN(c2ccc(NC(=O)CC[C@@H]([NH3+])CC3CCCCC3)cc2)CC1 ZINC000827251222 925135966 /nfs/dbraw/zinc/13/59/66/925135966.db2.gz XEXYFJQCDSIKBY-HXUWFJFHSA-N 2 1 386.584 3.845 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CCC(C)CC1 ZINC000680038429 925338746 /nfs/dbraw/zinc/33/87/46/925338746.db2.gz MMMSMTUBERDCFE-KZKAQZJJSA-N 2 1 383.580 3.524 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137400868 925388115 /nfs/dbraw/zinc/38/81/15/925388115.db2.gz JJHZMOPSMNBEQD-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP CCN(C)[C@H](C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000410282573 925497407 /nfs/dbraw/zinc/49/74/07/925497407.db2.gz OXENCTRMJLMRDO-FPOVZHCZSA-N 2 1 380.536 3.618 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000410336002 925541032 /nfs/dbraw/zinc/54/10/32/925541032.db2.gz BNEXDMFNWLHKFC-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000410336002 925541042 /nfs/dbraw/zinc/54/10/42/925541042.db2.gz BNEXDMFNWLHKFC-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000410336002 925541045 /nfs/dbraw/zinc/54/10/45/925541045.db2.gz BNEXDMFNWLHKFC-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1Cl)CC2 ZINC001137422002 925614605 /nfs/dbraw/zinc/61/46/05/925614605.db2.gz DPZNKNWBHXQANL-QGZVFWFLSA-N 2 1 375.900 3.584 20 0 GHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000681081725 925716584 /nfs/dbraw/zinc/71/65/84/925716584.db2.gz FKIQXRBTBTZXNP-KXBFYZLASA-N 2 1 381.358 3.613 20 0 GHADMP Cc1cc(Cl)ccc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000681098797 925722697 /nfs/dbraw/zinc/72/26/97/925722697.db2.gz HLDROTZJMDYLAS-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP Cc1cc(Cl)ccc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000681098797 925722702 /nfs/dbraw/zinc/72/27/02/925722702.db2.gz HLDROTZJMDYLAS-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411548624 926512056 /nfs/dbraw/zinc/51/20/56/926512056.db2.gz FNOHKPGBIPXEHX-LGKPFJOYSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411548624 926512064 /nfs/dbraw/zinc/51/20/64/926512064.db2.gz FNOHKPGBIPXEHX-LGKPFJOYSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](CC[NH+]1C[C@@H](N2CCCC2)C[C@H]1C)CC[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000411718141 926700263 /nfs/dbraw/zinc/70/02/63/926700263.db2.gz KKAWDWAGIOLSCO-QXHWAKKDSA-N 2 1 390.660 3.520 20 0 GHADMP C[C@@H](CC[NH+]1C[C@H](N2CCCC2)C[C@@H]1C)CC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000411718141 926700271 /nfs/dbraw/zinc/70/02/71/926700271.db2.gz KKAWDWAGIOLSCO-QXHWAKKDSA-N 2 1 390.660 3.520 20 0 GHADMP C[C@@H](CC[NH+]1C[C@H](N2CCCC2)C[C@@H]1C)CC[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000411718141 926700279 /nfs/dbraw/zinc/70/02/79/926700279.db2.gz KKAWDWAGIOLSCO-QXHWAKKDSA-N 2 1 390.660 3.520 20 0 GHADMP Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412204871 927205872 /nfs/dbraw/zinc/20/58/72/927205872.db2.gz XNKRIDNWHCDSSY-UHFFFAOYSA-N 2 1 380.536 3.501 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H]1c1ccccc1 ZINC000412223106 927224934 /nfs/dbraw/zinc/22/49/34/927224934.db2.gz TUOWWZYUFYYLOI-XZOQPEGZSA-N 2 1 377.532 3.848 20 0 GHADMP CC(C)c1cnc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000374966922 927753507 /nfs/dbraw/zinc/75/35/07/927753507.db2.gz XWVGFBXPAKIVGH-UHFFFAOYSA-N 2 1 378.630 3.895 20 0 GHADMP CC(C)c1cnc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000374966922 927753516 /nfs/dbraw/zinc/75/35/16/927753516.db2.gz XWVGFBXPAKIVGH-UHFFFAOYSA-N 2 1 378.630 3.895 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000467689363 929305635 /nfs/dbraw/zinc/30/56/35/929305635.db2.gz TWAGICHAQFHWII-XXBNENTESA-N 2 1 377.532 3.675 20 0 GHADMP CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000467717943 929334009 /nfs/dbraw/zinc/33/40/09/929334009.db2.gz JCNIRNOZBSMFCC-XKGZKEIXSA-N 2 1 397.485 3.737 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000753547375 929405374 /nfs/dbraw/zinc/40/53/74/929405374.db2.gz PLKGPGZFEZCCIY-WMZOPIPTSA-N 2 1 399.539 3.701 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000753746186 929513530 /nfs/dbraw/zinc/51/35/30/929513530.db2.gz ADQCMVZYSVMHRX-QUCCMNQESA-N 2 1 387.568 3.934 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000469371997 929829460 /nfs/dbraw/zinc/82/94/60/929829460.db2.gz UXUJYAFETOXJFQ-DEOSSOPVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000469371997 929829463 /nfs/dbraw/zinc/82/94/63/929829463.db2.gz UXUJYAFETOXJFQ-DEOSSOPVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000469371997 929829468 /nfs/dbraw/zinc/82/94/68/929829468.db2.gz UXUJYAFETOXJFQ-DEOSSOPVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000469371997 929829472 /nfs/dbraw/zinc/82/94/72/929829472.db2.gz UXUJYAFETOXJFQ-DEOSSOPVSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000469521810 929963912 /nfs/dbraw/zinc/96/39/12/929963912.db2.gz IXYIKDPESUSGSA-VQTJNVASSA-N 2 1 392.547 3.974 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000469714421 930105551 /nfs/dbraw/zinc/10/55/51/930105551.db2.gz ZGPIXDPZECRTHW-ZWKOTPCHSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000469714421 930105554 /nfs/dbraw/zinc/10/55/54/930105554.db2.gz ZGPIXDPZECRTHW-ZWKOTPCHSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000469980955 930292522 /nfs/dbraw/zinc/29/25/22/930292522.db2.gz HKOVEYZVHFYEOO-MOPGFXCFSA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000469980955 930292531 /nfs/dbraw/zinc/29/25/31/930292531.db2.gz HKOVEYZVHFYEOO-MOPGFXCFSA-N 2 1 397.485 3.783 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000759746091 930473956 /nfs/dbraw/zinc/47/39/56/930473956.db2.gz AERHOQRZGHBQTR-UHFFFAOYSA-N 2 1 378.561 3.805 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000759746091 930473958 /nfs/dbraw/zinc/47/39/58/930473958.db2.gz AERHOQRZGHBQTR-UHFFFAOYSA-N 2 1 378.561 3.805 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470373496 930568949 /nfs/dbraw/zinc/56/89/49/930568949.db2.gz MUXQZHCTRTZRCP-OXJNMPFZSA-N 2 1 387.886 3.505 20 0 GHADMP C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780881447 930626104 /nfs/dbraw/zinc/62/61/04/930626104.db2.gz CWBBEAGIXGZCGY-RBBKRZOGSA-N 2 1 378.564 3.761 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470888785 931001638 /nfs/dbraw/zinc/00/16/38/931001638.db2.gz AJVJBUFHIOOUBR-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470888785 931001643 /nfs/dbraw/zinc/00/16/43/931001643.db2.gz AJVJBUFHIOOUBR-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470888785 931001648 /nfs/dbraw/zinc/00/16/48/931001648.db2.gz AJVJBUFHIOOUBR-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cn4c(n3)CCCC4)CC2)cs1 ZINC000925031868 931619160 /nfs/dbraw/zinc/61/91/60/931619160.db2.gz QIGAAIYWORPHCI-INIZCTEOSA-N 2 1 387.597 3.801 20 0 GHADMP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925205424 931699664 /nfs/dbraw/zinc/69/96/64/931699664.db2.gz IQPIUXGBBRVOPA-AOMKIAJQSA-N 2 1 375.532 3.778 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000783979224 931738745 /nfs/dbraw/zinc/73/87/45/931738745.db2.gz QFHDAIGTYHLVMF-FQEVSTJZSA-N 2 1 383.511 3.683 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000783979224 931738747 /nfs/dbraw/zinc/73/87/47/931738747.db2.gz QFHDAIGTYHLVMF-FQEVSTJZSA-N 2 1 383.511 3.683 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000925955572 931974619 /nfs/dbraw/zinc/97/46/19/931974619.db2.gz ZACWMWPMWHEZCN-DENIHFKCSA-N 2 1 381.524 3.709 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926112223 932052078 /nfs/dbraw/zinc/05/20/78/932052078.db2.gz PQJPCRTTYLDMBQ-JQVVWYNYSA-N 2 1 375.520 3.829 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1(C)C ZINC000926357401 932145407 /nfs/dbraw/zinc/14/54/07/932145407.db2.gz PENUYLPFOYVSKW-UHFFFAOYSA-N 2 1 377.417 3.656 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)no1 ZINC000926687773 932272667 /nfs/dbraw/zinc/27/26/67/932272667.db2.gz AQCOZTFHVTUFDG-DYESRHJHSA-N 2 1 377.488 3.759 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348942 932607590 /nfs/dbraw/zinc/60/75/90/932607590.db2.gz JKDOPXPBTPXJIF-UPVQGACJSA-N 2 1 394.563 3.501 20 0 GHADMP C[C@]1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498048 932672797 /nfs/dbraw/zinc/67/27/97/932672797.db2.gz KRQKLZJHGSZSSN-XMMPIXPASA-N 2 1 377.532 3.581 20 0 GHADMP O=C(C[NH+]1CCCCCCC1)Nc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000777663144 932750099 /nfs/dbraw/zinc/75/00/99/932750099.db2.gz AWZBDQOOHITWLE-VXKWHMMOSA-N 2 1 384.568 3.930 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000559751750 932838159 /nfs/dbraw/zinc/83/81/59/932838159.db2.gz AZDATFGZANMFQP-WIYYLYMNSA-N 2 1 384.520 3.680 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000559751750 932838164 /nfs/dbraw/zinc/83/81/64/932838164.db2.gz AZDATFGZANMFQP-WIYYLYMNSA-N 2 1 384.520 3.680 20 0 GHADMP C[C@]1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000799013631 932851984 /nfs/dbraw/zinc/85/19/84/932851984.db2.gz UMVXVBBTIVJRSR-ZJSXRUAMSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@]1(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000799013631 932851989 /nfs/dbraw/zinc/85/19/89/932851989.db2.gz UMVXVBBTIVJRSR-ZJSXRUAMSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@]1(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000799013631 932851991 /nfs/dbraw/zinc/85/19/91/932851991.db2.gz UMVXVBBTIVJRSR-ZJSXRUAMSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1cc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1Br ZINC000799177941 932898555 /nfs/dbraw/zinc/89/85/55/932898555.db2.gz AKFMDIAFJLLCLW-UHFFFAOYSA-N 2 1 394.357 3.504 20 0 GHADMP C[C@H]1CCN(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c2ccccc2S1 ZINC000799177289 932898782 /nfs/dbraw/zinc/89/87/82/932898782.db2.gz PDCCFRWBTPMQTK-SFHVURJKSA-N 2 1 387.593 3.712 20 0 GHADMP COC[C@]1(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000559858142 932912660 /nfs/dbraw/zinc/91/26/60/932912660.db2.gz QVBBFXUVBJXXDJ-XWGVYQGASA-N 2 1 380.532 3.526 20 0 GHADMP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)OCCc2ccccc21 ZINC000559858142 932912665 /nfs/dbraw/zinc/91/26/65/932912665.db2.gz QVBBFXUVBJXXDJ-XWGVYQGASA-N 2 1 380.532 3.526 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000559923564 932958339 /nfs/dbraw/zinc/95/83/39/932958339.db2.gz MOPAAOXOBTYXSD-GPVXHPMSSA-N 2 1 382.552 3.634 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000560018877 933020717 /nfs/dbraw/zinc/02/07/17/933020717.db2.gz SUSMIDJYWOTOIW-PGRDOPGGSA-N 2 1 390.930 3.884 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000560018877 933020723 /nfs/dbraw/zinc/02/07/23/933020723.db2.gz SUSMIDJYWOTOIW-PGRDOPGGSA-N 2 1 390.930 3.884 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)cc1)C(C)C ZINC000928836460 933125368 /nfs/dbraw/zinc/12/53/68/933125368.db2.gz NQWWHSBWDKJONE-JOCHJYFZSA-N 2 1 382.552 3.735 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001116041270 933300314 /nfs/dbraw/zinc/30/03/14/933300314.db2.gz GKXMYZYNNGMLIA-GOTSBHOMSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1cccnc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001116041270 933300321 /nfs/dbraw/zinc/30/03/21/933300321.db2.gz GKXMYZYNNGMLIA-GOTSBHOMSA-N 2 1 398.595 3.551 20 0 GHADMP CCn1cccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000560535728 933321590 /nfs/dbraw/zinc/32/15/90/933321590.db2.gz DZVVOFZHVPQJGI-RJGXRXQPSA-N 2 1 379.548 3.649 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)C2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC001116092020 933330083 /nfs/dbraw/zinc/33/00/83/933330083.db2.gz PEJIWRUUDFHFCT-JOCHJYFZSA-N 2 1 392.547 3.705 20 0 GHADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000560894644 933660856 /nfs/dbraw/zinc/66/08/56/933660856.db2.gz WSRFFDPZMLHYMA-OTWHNJEPSA-N 2 1 390.572 3.757 20 0 GHADMP CC1CC[NH+](CCc2nnc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)o2)CC1 ZINC001117221674 933894732 /nfs/dbraw/zinc/89/47/32/933894732.db2.gz JSCMDQKNGWENAE-LJQANCHMSA-N 2 1 386.515 3.863 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001117714682 933993638 /nfs/dbraw/zinc/99/36/38/933993638.db2.gz JNOQBJYWWOXIOL-YGDZHLNZSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117714682 933993644 /nfs/dbraw/zinc/99/36/44/933993644.db2.gz JNOQBJYWWOXIOL-YGDZHLNZSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117714682 933993648 /nfs/dbraw/zinc/99/36/48/933993648.db2.gz JNOQBJYWWOXIOL-YGDZHLNZSA-N 2 1 398.595 3.554 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001118821498 934256454 /nfs/dbraw/zinc/25/64/54/934256454.db2.gz HDTACUNXSFBOKW-FQEVSTJZSA-N 2 1 377.960 3.637 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001118821498 934256462 /nfs/dbraw/zinc/25/64/62/934256462.db2.gz HDTACUNXSFBOKW-FQEVSTJZSA-N 2 1 377.960 3.637 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1Cl ZINC001119320710 934331448 /nfs/dbraw/zinc/33/14/48/934331448.db2.gz RBUWWIYPKWTSJB-UHFFFAOYSA-N 2 1 378.929 3.577 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@H]2C1 ZINC001120012997 934436692 /nfs/dbraw/zinc/43/66/92/934436692.db2.gz LODDEMBKHNCNMF-DOIPELPJSA-N 2 1 398.595 3.682 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC([NH2+]C2CCOCC2)CC1 ZINC001120950240 934539990 /nfs/dbraw/zinc/53/99/90/934539990.db2.gz BBIITWBABFWCSW-UHFFFAOYSA-N 2 1 390.325 3.735 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561984510 934607205 /nfs/dbraw/zinc/60/72/05/934607205.db2.gz KBJAVOBVCVCRGZ-ICSRJNTNSA-N 2 1 383.939 3.851 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000561984510 934607207 /nfs/dbraw/zinc/60/72/07/934607207.db2.gz KBJAVOBVCVCRGZ-ICSRJNTNSA-N 2 1 383.939 3.851 20 0 GHADMP C[N@H+](CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)CC(C)(C)C ZINC001137741918 935762216 /nfs/dbraw/zinc/76/22/16/935762216.db2.gz CUUOKEOREOCIRI-UHFFFAOYSA-N 2 1 391.559 3.879 20 0 GHADMP C[N@@H+](CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)CC(C)(C)C ZINC001137741918 935762220 /nfs/dbraw/zinc/76/22/20/935762220.db2.gz CUUOKEOREOCIRI-UHFFFAOYSA-N 2 1 391.559 3.879 20 0 GHADMP c1ccc([C@@H]2CC[N@H+](Cc3cncc(C[NH+]4CC[C@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448756 935810670 /nfs/dbraw/zinc/81/06/70/935810670.db2.gz DENLNXJRPMCMLR-ZRZAMGCNSA-N 2 1 399.542 3.851 20 0 GHADMP c1ccc([C@@H]2CC[NH+](Cc3cncc(C[N@@H+]4CC[C@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448756 935810676 /nfs/dbraw/zinc/81/06/76/935810676.db2.gz DENLNXJRPMCMLR-ZRZAMGCNSA-N 2 1 399.542 3.851 20 0 GHADMP c1ccc([C@@H]2CC[NH+](Cc3cncc(C[N@H+]4CC[C@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448756 935810683 /nfs/dbraw/zinc/81/06/83/935810683.db2.gz DENLNXJRPMCMLR-ZRZAMGCNSA-N 2 1 399.542 3.851 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001220705028 1032074052 /nfs/dbraw/zinc/07/40/52/1032074052.db2.gz VDCICLJVWOHUJN-HXUWFJFHSA-N 2 1 380.621 3.650 20 0 GHADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001625797059 1014176674 /nfs/dbraw/zinc/17/66/74/1014176674.db2.gz VZITULILXDUZDC-BDTNDASRSA-N 2 1 399.623 3.814 20 0 GHADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]c1 ZINC000175387426 1014755100 /nfs/dbraw/zinc/75/51/00/1014755100.db2.gz HFGFLYGESBSSJK-CTNGQTDRSA-N 2 1 395.551 3.544 20 0 GHADMP Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]c1 ZINC000175387426 1014755116 /nfs/dbraw/zinc/75/51/16/1014755116.db2.gz HFGFLYGESBSSJK-CTNGQTDRSA-N 2 1 395.551 3.544 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001626133136 1015027137 /nfs/dbraw/zinc/02/71/37/1015027137.db2.gz JPEPEFGYEQMJDK-OBXNSHGQSA-N 2 1 377.960 3.856 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000468015046 1015144288 /nfs/dbraw/zinc/14/42/88/1015144288.db2.gz ATQAIHHXKQPOLP-ONTIZHBOSA-N 2 1 388.600 3.735 20 0 GHADMP CC(C)C[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468030708 1015169367 /nfs/dbraw/zinc/16/93/67/1015169367.db2.gz RAGVZHOMTIHMBY-IRLDBZIGSA-N 2 1 388.600 3.878 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)c2)C1 ZINC000468426871 1015698220 /nfs/dbraw/zinc/69/82/20/1015698220.db2.gz HFGCCFFMKWOPGZ-WXFUMESZSA-N 2 1 391.559 3.810 20 0 GHADMP COc1cccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)c1 ZINC000545309350 1015762358 /nfs/dbraw/zinc/76/23/58/1015762358.db2.gz YKBHQOUZUFHMOA-JOCHJYFZSA-N 2 1 387.568 3.603 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1ccccc1 ZINC001220803171 1032127288 /nfs/dbraw/zinc/12/72/88/1032127288.db2.gz CKUNHJCTHAUREH-BZSNNMDCSA-N 2 1 385.474 3.506 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCc3ccc4c(c3)OCO4)CCCC2)CC1 ZINC000468553489 1015799923 /nfs/dbraw/zinc/79/99/23/1015799923.db2.gz KJISVLNXFXJHBG-SFHVURJKSA-N 2 1 388.552 3.750 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000546747654 1016733333 /nfs/dbraw/zinc/73/33/33/1016733333.db2.gz YCHKVGMBNSEZGV-DYXWJJEUSA-N 2 1 392.632 3.649 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000470274576 1016757667 /nfs/dbraw/zinc/75/76/67/1016757667.db2.gz KYLMTZJBYKRJID-BVSLBCMMSA-N 2 1 388.600 3.515 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000470274576 1016757680 /nfs/dbraw/zinc/75/76/80/1016757680.db2.gz KYLMTZJBYKRJID-BVSLBCMMSA-N 2 1 388.600 3.515 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[C@@H](C)C1 ZINC000470274576 1016757687 /nfs/dbraw/zinc/75/76/87/1016757687.db2.gz KYLMTZJBYKRJID-BVSLBCMMSA-N 2 1 388.600 3.515 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC001226890943 1032179359 /nfs/dbraw/zinc/17/93/59/1032179359.db2.gz NSDJRFQXTWVNIP-FCHUYYIVSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001226890943 1032179363 /nfs/dbraw/zinc/17/93/63/1032179363.db2.gz NSDJRFQXTWVNIP-FCHUYYIVSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC001226890943 1032179366 /nfs/dbraw/zinc/17/93/66/1032179366.db2.gz NSDJRFQXTWVNIP-FCHUYYIVSA-N 2 1 388.600 3.659 20 0 GHADMP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)Cc1csc2ccccc12 ZINC001220916820 1032187121 /nfs/dbraw/zinc/18/71/21/1032187121.db2.gz BXWXZBRAMQZCER-PMACEKPBSA-N 2 1 399.604 3.932 20 0 GHADMP O=C(N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001221033795 1032245402 /nfs/dbraw/zinc/24/54/02/1032245402.db2.gz KLVTUBLLRDNYMW-GGAORHGYSA-N 2 1 395.522 3.505 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC001221101171 1032287635 /nfs/dbraw/zinc/28/76/35/1032287635.db2.gz PGHBFPRCPWKGEJ-ABSDTBQOSA-N 2 1 392.975 3.601 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc2)CC1 ZINC001221296773 1032365515 /nfs/dbraw/zinc/36/55/15/1032365515.db2.gz AAUXXXUVTGVOJY-XPWALMASSA-N 2 1 398.595 3.776 20 0 GHADMP CC(C)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nn1 ZINC001155357069 1032515481 /nfs/dbraw/zinc/51/54/81/1032515481.db2.gz AMMIAFNOXYZAPT-FQEVSTJZSA-N 2 1 379.552 3.514 20 0 GHADMP Cc1c[nH]c2nc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc12 ZINC001155357098 1032516244 /nfs/dbraw/zinc/51/62/44/1032516244.db2.gz AVEISOLSFWQQPY-FQEVSTJZSA-N 2 1 389.547 3.785 20 0 GHADMP CCSc1cncc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155360781 1032518015 /nfs/dbraw/zinc/51/80/15/1032518015.db2.gz CQBVFLSAQKDLQV-LJQANCHMSA-N 2 1 397.592 3.502 20 0 GHADMP Cc1ccc(-c2csc3ncnc(N4CCC[C@@H]([NH+]5CC(C[NH3+])C5)C4)c23)cc1 ZINC001155372106 1032523304 /nfs/dbraw/zinc/52/33/04/1032523304.db2.gz GCVOFVJPSZVUEV-GOSISDBHSA-N 2 1 393.560 3.526 20 0 GHADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001221771681 1032529990 /nfs/dbraw/zinc/52/99/90/1032529990.db2.gz SJCIDGWXTAUHOF-XLIONFOSSA-N 2 1 394.991 3.724 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC001221794399 1032537075 /nfs/dbraw/zinc/53/70/75/1032537075.db2.gz LNJDIUHWTZOKAJ-ILWGZMRPSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001221794399 1032537078 /nfs/dbraw/zinc/53/70/78/1032537078.db2.gz LNJDIUHWTZOKAJ-ILWGZMRPSA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001221794399 1032537083 /nfs/dbraw/zinc/53/70/83/1032537083.db2.gz LNJDIUHWTZOKAJ-ILWGZMRPSA-N 2 1 386.584 3.603 20 0 GHADMP c1ccc(C[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C2CCSCC2)cc1 ZINC001236270131 1032593330 /nfs/dbraw/zinc/59/33/30/1032593330.db2.gz QKCZCIMTVRTYKA-UHFFFAOYSA-N 2 1 395.616 3.990 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001204152814 1032604770 /nfs/dbraw/zinc/60/47/70/1032604770.db2.gz SBKVXYRWEPVBSP-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001204152814 1032604783 /nfs/dbraw/zinc/60/47/83/1032604783.db2.gz SBKVXYRWEPVBSP-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001204152814 1032604789 /nfs/dbraw/zinc/60/47/89/1032604789.db2.gz SBKVXYRWEPVBSP-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001155643689 1032619150 /nfs/dbraw/zinc/61/91/50/1032619150.db2.gz SGHOWRUAAYWGHT-UNMCSNQZSA-N 2 1 399.966 3.971 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000187384212 1017583401 /nfs/dbraw/zinc/58/34/01/1017583401.db2.gz CUXNGHUFYTYLFZ-HXUWFJFHSA-N 2 1 386.939 3.583 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC001204269044 1032711779 /nfs/dbraw/zinc/71/17/79/1032711779.db2.gz TXUBYVTYTLXFGM-UHFFFAOYSA-N 2 1 390.531 3.761 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC001204269044 1032711789 /nfs/dbraw/zinc/71/17/89/1032711789.db2.gz TXUBYVTYTLXFGM-UHFFFAOYSA-N 2 1 390.531 3.761 20 0 GHADMP CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204270103 1032713425 /nfs/dbraw/zinc/71/34/25/1032713425.db2.gz PFVSVNJCGDDHIG-LJQANCHMSA-N 2 1 386.540 3.732 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001227962786 1032718102 /nfs/dbraw/zinc/71/81/02/1032718102.db2.gz QYKFQYQBCNHJCM-REWPJTCUSA-N 2 1 394.563 3.514 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+](C)C ZINC001227976733 1032722913 /nfs/dbraw/zinc/72/29/13/1032722913.db2.gz UWJNJAMNYHNDJY-VCOUNFBDSA-N 2 1 386.584 3.692 20 0 GHADMP Cc1ccnc(-c2noc(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)n2)c1 ZINC000562697579 1018544698 /nfs/dbraw/zinc/54/46/98/1018544698.db2.gz PPVGUCUFXSQTEF-GOSISDBHSA-N 2 1 383.540 3.917 20 0 GHADMP Cc1ccnc(-c2noc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)n2)c1 ZINC000562697579 1018544705 /nfs/dbraw/zinc/54/47/05/1018544705.db2.gz PPVGUCUFXSQTEF-GOSISDBHSA-N 2 1 383.540 3.917 20 0 GHADMP Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000564858219 1019119471 /nfs/dbraw/zinc/11/94/71/1019119471.db2.gz ASQVIFDJBIACLS-CJQSNXSWSA-N 2 1 394.559 3.677 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581035 1019238271 /nfs/dbraw/zinc/23/82/71/1019238271.db2.gz HAWWDBVIFIYVHI-SESVDKBCSA-N 2 1 383.536 3.737 20 0 GHADMP CN1CC[NH+](CCCC[N@@H+]2CCN(C)c3ccccc3C2)Cc2ccccc21 ZINC000567654359 1019326578 /nfs/dbraw/zinc/32/65/78/1019326578.db2.gz CHNHBNOFAFGZTE-UHFFFAOYSA-N 2 1 378.564 3.671 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000568845496 1019450439 /nfs/dbraw/zinc/45/04/39/1019450439.db2.gz DMAYYTGJXNBBSC-UHFFFAOYSA-N 2 1 378.520 3.665 20 0 GHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000571825501 1019714660 /nfs/dbraw/zinc/71/46/60/1019714660.db2.gz RPOSXROKBSBMOG-XBYSBRQOSA-N 2 1 398.591 3.708 20 0 GHADMP O[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCc2ccccc21 ZINC000158644739 1020005851 /nfs/dbraw/zinc/00/58/51/1020005851.db2.gz KLYJLLLQBJLJIQ-DEOSSOPVSA-N 2 1 382.523 3.646 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(OC)c1OC ZINC000631618301 1020895202 /nfs/dbraw/zinc/89/52/02/1020895202.db2.gz SUKUHBYZUQCCTB-FPOVZHCZSA-N 2 1 384.520 3.511 20 0 GHADMP [NH3+]C1(CC(=O)Nc2c(F)cccc2NC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638274068 1021038144 /nfs/dbraw/zinc/03/81/44/1021038144.db2.gz NQAFOBNBVXDKCZ-UHFFFAOYSA-N 2 1 396.510 3.722 20 0 GHADMP COc1cccc(C)c1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000638509024 1021045153 /nfs/dbraw/zinc/04/51/53/1021045153.db2.gz QFBISGKDNSKGHO-UHFFFAOYSA-N 2 1 398.547 3.783 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000638608798 1021049312 /nfs/dbraw/zinc/04/93/12/1021049312.db2.gz LOLCOXSWVRJSAU-LAUBAEHRSA-N 2 1 399.485 3.652 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)c2cc(C[NH+](C)C)ccn2)cc1 ZINC001156294137 1032964049 /nfs/dbraw/zinc/96/40/49/1032964049.db2.gz KUZNFXGJEBAIPK-OAQYLSRUSA-N 2 1 382.552 3.643 20 0 GHADMP Cc1ccc2n[nH]c(C[NH+]3CCC4(C[C@@H]([N@@H+](C)Cc5ccco5)CO4)CC3)c2c1 ZINC001140326894 1021409015 /nfs/dbraw/zinc/40/90/15/1021409015.db2.gz GHBVLOHJNCDRDX-GOSISDBHSA-N 2 1 394.519 3.720 20 0 GHADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(C[C@@H]([N@H+](C)Cc5ccco5)CO4)CC3)c2c1 ZINC001140326894 1021409019 /nfs/dbraw/zinc/40/90/19/1021409019.db2.gz GHBVLOHJNCDRDX-GOSISDBHSA-N 2 1 394.519 3.720 20 0 GHADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(C[C@@H]([N@@H+](C)Cc5ccco5)CO4)CC3)c2c1 ZINC001140326894 1021409023 /nfs/dbraw/zinc/40/90/23/1021409023.db2.gz GHBVLOHJNCDRDX-GOSISDBHSA-N 2 1 394.519 3.720 20 0 GHADMP Cc1ccc2n[nH]c(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140328470 1021413909 /nfs/dbraw/zinc/41/39/09/1021413909.db2.gz CBFYIXPONXLQPZ-UHFFFAOYSA-N 2 1 375.520 3.754 20 0 GHADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140328470 1021413917 /nfs/dbraw/zinc/41/39/17/1021413917.db2.gz CBFYIXPONXLQPZ-UHFFFAOYSA-N 2 1 375.520 3.754 20 0 GHADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140328470 1021413921 /nfs/dbraw/zinc/41/39/21/1021413921.db2.gz CBFYIXPONXLQPZ-UHFFFAOYSA-N 2 1 375.520 3.754 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4ncccc4C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001156317893 1032982308 /nfs/dbraw/zinc/98/23/08/1032982308.db2.gz NKYOONICPHFAPD-MDNUFGMLSA-N 2 1 376.548 4.000 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC001140378804 1021525283 /nfs/dbraw/zinc/52/52/83/1021525283.db2.gz ICZCHZVOFQJZSV-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC001140378804 1021525292 /nfs/dbraw/zinc/52/52/92/1021525292.db2.gz ICZCHZVOFQJZSV-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3ccccn3)cc1)C2 ZINC001140378804 1021525304 /nfs/dbraw/zinc/52/53/04/1021525304.db2.gz ICZCHZVOFQJZSV-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C)ccc(Br)c2F)C1 ZINC001204594576 1032988940 /nfs/dbraw/zinc/98/89/40/1032988940.db2.gz ZVEWWUIFYUCFRY-OAHLLOKOSA-N 2 1 387.337 3.829 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)ccc(Br)c2F)C1 ZINC001204594576 1032988948 /nfs/dbraw/zinc/98/89/48/1032988948.db2.gz ZVEWWUIFYUCFRY-OAHLLOKOSA-N 2 1 387.337 3.829 20 0 GHADMP Fc1ccccc1-c1ncc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cn1 ZINC001140400880 1021567947 /nfs/dbraw/zinc/56/79/47/1021567947.db2.gz FDRIRWREMITZAE-HDICACEKSA-N 2 1 394.519 3.908 20 0 GHADMP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000679544166 1022012569 /nfs/dbraw/zinc/01/25/69/1022012569.db2.gz GRRUXHIZNNIYCC-LPHOPBHVSA-N 2 1 397.485 3.561 20 0 GHADMP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000679544166 1022012587 /nfs/dbraw/zinc/01/25/87/1022012587.db2.gz GRRUXHIZNNIYCC-LPHOPBHVSA-N 2 1 397.485 3.561 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001204705868 1033036542 /nfs/dbraw/zinc/03/65/42/1033036542.db2.gz MYKHTYCQDLQBIY-ROUUACIJSA-N 2 1 394.519 3.747 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c(C)c1 ZINC001140674231 1022228713 /nfs/dbraw/zinc/22/87/13/1022228713.db2.gz CVOOELGJEAADCY-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(C)c1 ZINC001140674041 1022228972 /nfs/dbraw/zinc/22/89/72/1022228972.db2.gz KBZRFEKUWCTCGA-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)c1 ZINC001140674041 1022228981 /nfs/dbraw/zinc/22/89/81/1022228981.db2.gz KBZRFEKUWCTCGA-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)c1 ZINC001140674041 1022228996 /nfs/dbraw/zinc/22/89/96/1022228996.db2.gz KBZRFEKUWCTCGA-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001140694799 1022287991 /nfs/dbraw/zinc/28/79/91/1022287991.db2.gz BZASAJZGQSYPDS-UXHICEINSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001140694799 1022288001 /nfs/dbraw/zinc/28/80/01/1022288001.db2.gz BZASAJZGQSYPDS-UXHICEINSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)[nH]1 ZINC001140694799 1022288011 /nfs/dbraw/zinc/28/80/11/1022288011.db2.gz BZASAJZGQSYPDS-UXHICEINSA-N 2 1 381.520 3.535 20 0 GHADMP Cn1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2cc(Br)ccc21 ZINC001204735533 1033053499 /nfs/dbraw/zinc/05/34/99/1033053499.db2.gz WXIQIZPXNZPCAR-UHFFFAOYSA-N 2 1 376.342 3.906 20 0 GHADMP Fc1cccc(N2CCOC[C@@]3(CCC[N@H+](Cc4c[nH]c5cc[nH+]cc45)C3)C2)c1 ZINC001140802922 1022573172 /nfs/dbraw/zinc/57/31/72/1022573172.db2.gz FSRTZUVSKNBOLM-HSZRJFAPSA-N 2 1 394.494 3.821 20 0 GHADMP Fc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4c[nH]c5cc[nH+]cc45)C3)C2)c1 ZINC001140802922 1022573178 /nfs/dbraw/zinc/57/31/78/1022573178.db2.gz FSRTZUVSKNBOLM-HSZRJFAPSA-N 2 1 394.494 3.821 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001140803863 1022575578 /nfs/dbraw/zinc/57/55/78/1022575578.db2.gz ZFCOQRIJQCRWPY-PKTZIBPZSA-N 2 1 392.503 3.546 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COCc2cccnc2)C1 ZINC001140803863 1022575586 /nfs/dbraw/zinc/57/55/86/1022575586.db2.gz ZFCOQRIJQCRWPY-PKTZIBPZSA-N 2 1 392.503 3.546 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)cc1 ZINC001140974496 1023052830 /nfs/dbraw/zinc/05/28/30/1023052830.db2.gz ALFGSQHATKTBIR-QFIPXVFZSA-N 2 1 393.575 3.902 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3cc(F)ccc3n2C)CC1 ZINC000756119260 1023527508 /nfs/dbraw/zinc/52/75/08/1023527508.db2.gz PFSNQILMNFEANP-UHFFFAOYSA-N 2 1 395.526 3.534 20 0 GHADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001141230119 1024215355 /nfs/dbraw/zinc/21/53/55/1024215355.db2.gz ZNYDJFXVPFYICB-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001156770559 1033232833 /nfs/dbraw/zinc/23/28/33/1033232833.db2.gz IUGNRRPHXMTCID-UHFFFAOYSA-N 2 1 379.552 3.520 20 0 GHADMP CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001156770559 1033232839 /nfs/dbraw/zinc/23/28/39/1033232839.db2.gz IUGNRRPHXMTCID-UHFFFAOYSA-N 2 1 379.552 3.520 20 0 GHADMP COc1c(F)cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001138422378 1024814229 /nfs/dbraw/zinc/81/42/29/1024814229.db2.gz MZZWBNWRQNGIRP-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP COc1c(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001138422378 1024814258 /nfs/dbraw/zinc/81/42/58/1024814258.db2.gz MZZWBNWRQNGIRP-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001205083866 1033241482 /nfs/dbraw/zinc/24/14/82/1033241482.db2.gz SLWSBIBDZYABEB-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001138545009 1024989420 /nfs/dbraw/zinc/98/94/20/1024989420.db2.gz QGKZZXAQNWJHRS-ICSRJNTNSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001138545009 1024989424 /nfs/dbraw/zinc/98/94/24/1024989424.db2.gz QGKZZXAQNWJHRS-ICSRJNTNSA-N 2 1 382.508 3.622 20 0 GHADMP CCC[C@@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549635 1024997191 /nfs/dbraw/zinc/99/71/91/1024997191.db2.gz BCSFYIJYGLAMEO-NRFANRHFSA-N 2 1 387.524 3.751 20 0 GHADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549635 1024997195 /nfs/dbraw/zinc/99/71/95/1024997195.db2.gz BCSFYIJYGLAMEO-NRFANRHFSA-N 2 1 387.524 3.751 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138549531 1024997357 /nfs/dbraw/zinc/99/73/57/1024997357.db2.gz XVKMRRZGGUHKFE-LPHOPBHVSA-N 2 1 384.524 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138549531 1024997365 /nfs/dbraw/zinc/99/73/65/1024997365.db2.gz XVKMRRZGGUHKFE-LPHOPBHVSA-N 2 1 384.524 3.916 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnn(-c4ccccc4)c2)CC3)co1 ZINC001138600923 1025084881 /nfs/dbraw/zinc/08/48/81/1025084881.db2.gz FJHLGSDGYRDQTR-UHFFFAOYSA-N 2 1 376.504 3.953 20 0 GHADMP CCC[NH+](CCC)CCN1CC[NH+](Cc2cccc(Oc3ncccn3)c2)CC1 ZINC001138620897 1025115593 /nfs/dbraw/zinc/11/55/93/1025115593.db2.gz GMBMQVRKTPEZJJ-UHFFFAOYSA-N 2 1 397.567 3.509 20 0 GHADMP CCCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138637561 1025144619 /nfs/dbraw/zinc/14/46/19/1025144619.db2.gz BEZVTCPVHRSRBC-PMOQBDJRSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138637561 1025144639 /nfs/dbraw/zinc/14/46/39/1025144639.db2.gz BEZVTCPVHRSRBC-PMOQBDJRSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138637561 1025144646 /nfs/dbraw/zinc/14/46/46/1025144646.db2.gz BEZVTCPVHRSRBC-PMOQBDJRSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C ZINC001138637561 1025144658 /nfs/dbraw/zinc/14/46/58/1025144658.db2.gz BEZVTCPVHRSRBC-PMOQBDJRSA-N 2 1 381.568 3.729 20 0 GHADMP CCn1nc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1C ZINC001138643607 1025152406 /nfs/dbraw/zinc/15/24/06/1025152406.db2.gz RLJBXYLZEOMYLB-UHFFFAOYSA-N 2 1 396.579 3.695 20 0 GHADMP Fc1ccc(-n2cc(CN3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)cn2)cc1 ZINC001138648257 1025159618 /nfs/dbraw/zinc/15/96/18/1025159618.db2.gz VWRLGWMAUJHBLK-HDICACEKSA-N 2 1 382.508 3.637 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3nc(C)ccc3c1)C2 ZINC001141477190 1025174602 /nfs/dbraw/zinc/17/46/02/1025174602.db2.gz BSCJJPOLDMGOTD-UPVQGACJSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3nc(C)ccc3c1)C2 ZINC001141477190 1025174609 /nfs/dbraw/zinc/17/46/09/1025174609.db2.gz BSCJJPOLDMGOTD-UPVQGACJSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3nc(C)ccc3c1)C2 ZINC001141477190 1025174617 /nfs/dbraw/zinc/17/46/17/1025174617.db2.gz BSCJJPOLDMGOTD-UPVQGACJSA-N 2 1 379.548 3.724 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)cc3)CC[C@@H]2C1 ZINC001138681674 1025205774 /nfs/dbraw/zinc/20/57/74/1025205774.db2.gz WMMSESYNMVBXEU-ISKFKSNPSA-N 2 1 398.522 3.662 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(F)cc4)cc3)CC[C@@H]2C1 ZINC001138681674 1025205785 /nfs/dbraw/zinc/20/57/85/1025205785.db2.gz WMMSESYNMVBXEU-ISKFKSNPSA-N 2 1 398.522 3.662 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)cc1 ZINC001138768789 1025338975 /nfs/dbraw/zinc/33/89/75/1025338975.db2.gz BAXIEOXRQVLWEL-QFIPXVFZSA-N 2 1 391.556 3.506 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001138772685 1025343627 /nfs/dbraw/zinc/34/36/27/1025343627.db2.gz VZVOFGKFMYEYCZ-UHFFFAOYSA-N 2 1 381.564 3.723 20 0 GHADMP c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n([C@H]2CCCCO2)n1 ZINC001138785025 1025357969 /nfs/dbraw/zinc/35/79/69/1025357969.db2.gz MTFUZRLAOCUEKG-WMTXJRDZSA-N 2 1 394.563 3.926 20 0 GHADMP c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n([C@H]2CCCCO2)n1 ZINC001138785025 1025357989 /nfs/dbraw/zinc/35/79/89/1025357989.db2.gz MTFUZRLAOCUEKG-WMTXJRDZSA-N 2 1 394.563 3.926 20 0 GHADMP c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n([C@H]2CCCCO2)n1 ZINC001138785025 1025358002 /nfs/dbraw/zinc/35/80/02/1025358002.db2.gz MTFUZRLAOCUEKG-WMTXJRDZSA-N 2 1 394.563 3.926 20 0 GHADMP c1[nH+]c2cc(NCCc3ccc4c(c3)OCO4)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001162088721 1025597171 /nfs/dbraw/zinc/59/71/71/1025597171.db2.gz ZOEWNEXXLHYMPL-GOSISDBHSA-N 2 1 378.476 3.734 20 0 GHADMP C[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1nnc2ccccn21 ZINC001162177767 1025649502 /nfs/dbraw/zinc/64/95/02/1025649502.db2.gz FHWXODUXGFDQGM-NVXWUHKLSA-N 2 1 375.480 3.567 20 0 GHADMP CCCCOc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001138956630 1025653728 /nfs/dbraw/zinc/65/37/28/1025653728.db2.gz QLIRKNZXZINDIT-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001138956630 1025653737 /nfs/dbraw/zinc/65/37/37/1025653737.db2.gz QLIRKNZXZINDIT-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001138956630 1025653740 /nfs/dbraw/zinc/65/37/40/1025653740.db2.gz QLIRKNZXZINDIT-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001138956630 1025653758 /nfs/dbraw/zinc/65/37/58/1025653758.db2.gz QLIRKNZXZINDIT-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001138956630 1025653765 /nfs/dbraw/zinc/65/37/65/1025653765.db2.gz QLIRKNZXZINDIT-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP C[NH+]1CCC(Oc2ccnc(N(CC3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001162189607 1025656700 /nfs/dbraw/zinc/65/67/00/1025656700.db2.gz BITOAHLSVZTLQE-MXVIHJGJSA-N 2 1 386.584 3.821 20 0 GHADMP CCCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC001461034578 1069348957 /nfs/dbraw/zinc/34/89/57/1069348957.db2.gz JFKXACMQZLOSDP-DEOSSOPVSA-N 2 1 381.564 3.944 20 0 GHADMP c1cc2cnc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)nc2s1 ZINC001162929172 1025970269 /nfs/dbraw/zinc/97/02/69/1025970269.db2.gz MLIHZDDLEJCNDZ-LJQANCHMSA-N 2 1 393.560 3.605 20 0 GHADMP c1nc2c(cccc2NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)o1 ZINC001162933718 1025970992 /nfs/dbraw/zinc/97/09/92/1025970992.db2.gz GXCHGSJCYJZOMD-IBGZPJMESA-N 2 1 376.504 3.742 20 0 GHADMP [NH3+]C1(c2ccc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2)CC1 ZINC001162933600 1025971340 /nfs/dbraw/zinc/97/13/40/1025971340.db2.gz GKKOJNCCBRAWLE-JOCHJYFZSA-N 3 1 390.575 3.548 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4ccncc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940147 1025976600 /nfs/dbraw/zinc/97/66/00/1025976600.db2.gz AMGSAWHYQYOUPG-OAQYLSRUSA-N 2 1 387.531 3.544 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(C[NH+]4CCCC[C@H]4C)cc3)C[N@H+]2C1 ZINC001141649891 1026065049 /nfs/dbraw/zinc/06/50/49/1026065049.db2.gz AAPLUGGJRCDQFI-VKGYTVAMSA-N 2 1 383.580 3.798 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)C[NH+]2C1 ZINC001141649891 1026065061 /nfs/dbraw/zinc/06/50/61/1026065061.db2.gz AAPLUGGJRCDQFI-VKGYTVAMSA-N 2 1 383.580 3.798 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)C[NH+]2C1 ZINC001141649891 1026065073 /nfs/dbraw/zinc/06/50/73/1026065073.db2.gz AAPLUGGJRCDQFI-VKGYTVAMSA-N 2 1 383.580 3.798 20 0 GHADMP COC(=O)c1cccc(-c2ccc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)[nH+]c2C)c1 ZINC001163644285 1026264681 /nfs/dbraw/zinc/26/46/81/1026264681.db2.gz DVFTUGNHDOTOSQ-NZQKXSOJSA-N 2 1 395.503 3.557 20 0 GHADMP CC[N@@H+]1CCCN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)CC1 ZINC001163776250 1026313508 /nfs/dbraw/zinc/31/35/08/1026313508.db2.gz ODAADBCQJOXSFD-UHFFFAOYSA-N 2 1 387.597 3.826 20 0 GHADMP CC[N@H+]1CCCN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)CC1 ZINC001163776250 1026313522 /nfs/dbraw/zinc/31/35/22/1026313522.db2.gz ODAADBCQJOXSFD-UHFFFAOYSA-N 2 1 387.597 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cccc(Cl)n1)CC2 ZINC001139549251 1026413323 /nfs/dbraw/zinc/41/33/23/1026413323.db2.gz HWLPRGFISPHBPO-QGZVFWFLSA-N 2 1 375.900 3.584 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C[NH3+])CC[C@@H]3C)c2c1C ZINC001164473797 1026520442 /nfs/dbraw/zinc/52/04/42/1026520442.db2.gz JOAGUMOZDOIUSJ-YOEHRIQHSA-N 2 1 387.597 3.858 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001165182497 1026651770 /nfs/dbraw/zinc/65/17/70/1026651770.db2.gz NYVRCAGARXTVRD-HRAATJIYSA-N 2 1 384.955 3.728 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC001165322930 1026703847 /nfs/dbraw/zinc/70/38/47/1026703847.db2.gz GZXLQEVJPTWIAZ-OAQYLSRUSA-N 2 1 393.510 3.977 20 0 GHADMP c1cc(C[NH+]2CCOCC2)ccc1CNc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001165413137 1026721308 /nfs/dbraw/zinc/72/13/08/1026721308.db2.gz LEKXAKLGJOYIIH-UHFFFAOYSA-N 2 1 397.588 3.975 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(O)ccc1F)CC2 ZINC001140046537 1026830180 /nfs/dbraw/zinc/83/01/80/1026830180.db2.gz GZDRXTQLMMXRGH-QGZVFWFLSA-N 2 1 390.524 3.848 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(O)ccc1F)CC2 ZINC001140046537 1026830188 /nfs/dbraw/zinc/83/01/88/1026830188.db2.gz GZDRXTQLMMXRGH-QGZVFWFLSA-N 2 1 390.524 3.848 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc2c1OCO2 ZINC001209716983 1027111923 /nfs/dbraw/zinc/11/19/23/1027111923.db2.gz SWZPPLZBBNEVEO-UHFFFAOYSA-N 2 1 382.504 3.768 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC001461227742 1069451901 /nfs/dbraw/zinc/45/19/01/1069451901.db2.gz CMNIOCCQKWNKPP-KNQAVFIVSA-N 3 1 387.593 3.861 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC001461227742 1069451906 /nfs/dbraw/zinc/45/19/06/1069451906.db2.gz CMNIOCCQKWNKPP-KNQAVFIVSA-N 3 1 387.593 3.861 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001461258369 1069464828 /nfs/dbraw/zinc/46/48/28/1069464828.db2.gz WGBKVSGKMYCDRA-PKOBYXMFSA-N 2 1 391.357 3.906 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccc(OC)c2)CCO3)c1 ZINC001203819418 1027632580 /nfs/dbraw/zinc/63/25/80/1027632580.db2.gz VQPPQVMYYAWDDZ-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccc(OC)c2)CCO3)c1 ZINC001203819418 1027632592 /nfs/dbraw/zinc/63/25/92/1027632592.db2.gz VQPPQVMYYAWDDZ-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(C)c4)CC3)C2)c1 ZINC001203890337 1027686150 /nfs/dbraw/zinc/68/61/50/1027686150.db2.gz DXCNLOCQMHLIPL-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(C)c4)CC3)C2)c1 ZINC001203890337 1027686154 /nfs/dbraw/zinc/68/61/54/1027686154.db2.gz DXCNLOCQMHLIPL-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1C ZINC001203894260 1027687976 /nfs/dbraw/zinc/68/79/76/1027687976.db2.gz UJYWRHKILLJVNU-HXUWFJFHSA-N 2 1 384.520 3.852 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001203923259 1027714633 /nfs/dbraw/zinc/71/46/33/1027714633.db2.gz AMFXDYSTUKJXEK-UHFFFAOYSA-N 2 1 399.560 3.574 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001203923259 1027714649 /nfs/dbraw/zinc/71/46/49/1027714649.db2.gz AMFXDYSTUKJXEK-UHFFFAOYSA-N 2 1 399.560 3.574 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203953904 1027747949 /nfs/dbraw/zinc/74/79/49/1027747949.db2.gz USGFKGVAAVYYET-PKTZIBPZSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203953904 1027747968 /nfs/dbraw/zinc/74/79/68/1027747968.db2.gz USGFKGVAAVYYET-PKTZIBPZSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203953904 1027747984 /nfs/dbraw/zinc/74/79/84/1027747984.db2.gz USGFKGVAAVYYET-PKTZIBPZSA-N 2 1 378.516 3.956 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccc(OC)c2)CCO3)cc1 ZINC001203955827 1027752419 /nfs/dbraw/zinc/75/24/19/1027752419.db2.gz VXJKCXYOCLYAJU-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccc(OC)c2)CCO3)cc1 ZINC001203955827 1027752437 /nfs/dbraw/zinc/75/24/37/1027752437.db2.gz VXJKCXYOCLYAJU-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc5ccccc5c4)C3)O2)CC1 ZINC001204001490 1027800011 /nfs/dbraw/zinc/80/00/11/1027800011.db2.gz WUTHKVUVJYEIOA-JWQCQUIFSA-N 2 1 393.575 3.601 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc5ccccc5c4)C3)O2)CC1 ZINC001204001490 1027800019 /nfs/dbraw/zinc/80/00/19/1027800019.db2.gz WUTHKVUVJYEIOA-JWQCQUIFSA-N 2 1 393.575 3.601 20 0 GHADMP CC(C)[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC001211244882 1027855654 /nfs/dbraw/zinc/85/56/54/1027855654.db2.gz MDHUBSBTYSSQEA-RTWAWAEBSA-N 2 1 380.621 3.697 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC(F)(F)F)c(Br)c3)[C@@H]2C1 ZINC001204089888 1027866166 /nfs/dbraw/zinc/86/61/66/1027866166.db2.gz SFUVZPHJFMIKKS-SCRDCRAPSA-N 2 1 393.247 3.778 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(OC(F)(F)F)c(Br)c3)[C@H]2C1 ZINC001204089886 1027866832 /nfs/dbraw/zinc/86/68/32/1027866832.db2.gz SFUVZPHJFMIKKS-OBJOEFQTSA-N 2 1 393.247 3.778 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1 ZINC000840862527 1027894854 /nfs/dbraw/zinc/89/48/54/1027894854.db2.gz HDFVZSYLSODKBB-OXJNMPFZSA-N 2 1 378.476 3.952 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001461349147 1069512760 /nfs/dbraw/zinc/51/27/60/1069512760.db2.gz ZHDICGKCXDXZAS-DLBZAZTESA-N 2 1 387.749 3.570 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142603798 1029133546 /nfs/dbraw/zinc/13/35/46/1029133546.db2.gz OIEQKZLPLZFJIQ-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142603798 1029133551 /nfs/dbraw/zinc/13/35/51/1029133551.db2.gz OIEQKZLPLZFJIQ-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142603798 1029133560 /nfs/dbraw/zinc/13/35/60/1029133560.db2.gz OIEQKZLPLZFJIQ-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001142603798 1029133570 /nfs/dbraw/zinc/13/35/70/1029133570.db2.gz OIEQKZLPLZFJIQ-GOTSBHOMSA-N 2 1 378.516 3.817 20 0 GHADMP O=C1OCCN1c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000842696015 1029505031 /nfs/dbraw/zinc/50/50/31/1029505031.db2.gz JAZRUJQPKZETCU-NRFANRHFSA-N 2 1 391.515 3.930 20 0 GHADMP O=C1OCCN1c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000842696015 1029505040 /nfs/dbraw/zinc/50/50/40/1029505040.db2.gz JAZRUJQPKZETCU-NRFANRHFSA-N 2 1 391.515 3.930 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@@H+]3C[C@H]4CN(Cc5cccs5)C[C@H]4C3)c2c1 ZINC001143228188 1029928112 /nfs/dbraw/zinc/92/81/12/1029928112.db2.gz IDGIUCIMTRZSPM-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1ccc2[nH]cc(CN3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)c2c1 ZINC001143228188 1029928121 /nfs/dbraw/zinc/92/81/21/1029928121.db2.gz IDGIUCIMTRZSPM-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP CC1(C)CCC[N@@H+](CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC001222009145 1029929044 /nfs/dbraw/zinc/92/90/44/1029929044.db2.gz BRRSBEGPFBBLOT-OAQYLSRUSA-N 2 1 386.584 3.635 20 0 GHADMP Brc1ccn2c(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222171469 1029987483 /nfs/dbraw/zinc/98/74/83/1029987483.db2.gz CLHRJUKZWZYHOB-IBGZPJMESA-N 2 1 391.357 3.843 20 0 GHADMP Brc1ccn2c(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222171469 1029987486 /nfs/dbraw/zinc/98/74/86/1029987486.db2.gz CLHRJUKZWZYHOB-IBGZPJMESA-N 2 1 391.357 3.843 20 0 GHADMP FC(F)(F)c1ccc(C(F)(F)F)c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001222207693 1030005772 /nfs/dbraw/zinc/00/57/72/1030005772.db2.gz DECJEDRUPRETQR-UHFFFAOYSA-N 2 1 382.348 3.679 20 0 GHADMP Brc1ccc2cc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)ccc2c1 ZINC001222408042 1030113082 /nfs/dbraw/zinc/11/30/82/1030113082.db2.gz VTRIHLVYSUPYNR-UHFFFAOYSA-N 2 1 389.337 3.804 20 0 GHADMP c1cc2n(c1C[N@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)CCC2 ZINC001222596233 1030222729 /nfs/dbraw/zinc/22/27/29/1030222729.db2.gz SPKNVUKVFZUPCL-QHCPKHFHSA-N 2 1 379.548 3.738 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001222613462 1030237386 /nfs/dbraw/zinc/23/73/86/1030237386.db2.gz STCHXFQCXRTYJZ-VXKWHMMOSA-N 2 1 390.616 3.595 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222613462 1030237395 /nfs/dbraw/zinc/23/73/95/1030237395.db2.gz STCHXFQCXRTYJZ-VXKWHMMOSA-N 2 1 390.616 3.595 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222613462 1030237416 /nfs/dbraw/zinc/23/74/16/1030237416.db2.gz STCHXFQCXRTYJZ-VXKWHMMOSA-N 2 1 390.616 3.595 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC001222630102 1030250014 /nfs/dbraw/zinc/25/00/14/1030250014.db2.gz YVATYSKHUHKFAH-TXEJJXNPSA-N 2 1 393.247 3.779 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c1 ZINC001149670134 1030263880 /nfs/dbraw/zinc/26/38/80/1030263880.db2.gz BFRPUTKCQHDTQH-DQEYMECFSA-N 2 1 391.559 3.732 20 0 GHADMP [NH3+][C@@H](Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1ccc(Cl)cc1 ZINC001217714631 1030623487 /nfs/dbraw/zinc/62/34/87/1030623487.db2.gz MWFDGXFGZHBQPE-AZUAARDMSA-N 2 1 396.922 3.825 20 0 GHADMP Clc1ccc(C[N@@H+]2CC[C@H](OC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1Cl ZINC001217912691 1030671302 /nfs/dbraw/zinc/67/13/02/1030671302.db2.gz VIEVUTGWTCNJAQ-DLBZAZTESA-N 2 1 399.362 3.743 20 0 GHADMP Clc1ccc(C[N@H+]2CC[C@H](OC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1Cl ZINC001217912691 1030671316 /nfs/dbraw/zinc/67/13/16/1030671316.db2.gz VIEVUTGWTCNJAQ-DLBZAZTESA-N 2 1 399.362 3.743 20 0 GHADMP C[C@H]1CC[NH2+]CC[C@H]1Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001218028816 1030731307 /nfs/dbraw/zinc/73/13/07/1030731307.db2.gz IRWFBPPDWQVIEM-NYSBEXSLSA-N 2 1 378.516 3.911 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001223843397 1030777053 /nfs/dbraw/zinc/77/70/53/1030777053.db2.gz IXMBBLSYRBUKOR-WPYKKVEZSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001223843397 1030777068 /nfs/dbraw/zinc/77/70/68/1030777068.db2.gz IXMBBLSYRBUKOR-WPYKKVEZSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001223843397 1030777075 /nfs/dbraw/zinc/77/70/75/1030777075.db2.gz IXMBBLSYRBUKOR-WPYKKVEZSA-N 2 1 398.595 3.698 20 0 GHADMP COC(=O)C[C@@H]([NH3+])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001218249072 1030852491 /nfs/dbraw/zinc/85/24/91/1030852491.db2.gz WNMONRZUSLDTGR-YADHBBJMSA-N 2 1 396.531 3.929 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCc2ccc3c[nH+]cn3c2)c1 ZINC001224035531 1030857165 /nfs/dbraw/zinc/85/71/65/1030857165.db2.gz XNSWMIXJMPCSBY-UHFFFAOYSA-N 2 1 393.535 3.956 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)c1ccccc1 ZINC001218533572 1030975891 /nfs/dbraw/zinc/97/58/91/1030975891.db2.gz PTFSKSXTJANAAI-APWZRJJASA-N 2 1 386.565 3.761 20 0 GHADMP [NH3+][C@H](CC(=O)Nc1ccnn1-c1cc[nH+]cc1)c1ccc(Cl)cc1Cl ZINC001218743328 1031061805 /nfs/dbraw/zinc/06/18/05/1031061805.db2.gz QHCWRFNFYPGVQV-OAHLLOKOSA-N 2 1 376.247 3.603 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC001152028220 1031079573 /nfs/dbraw/zinc/07/95/73/1031079573.db2.gz OONWHAUJRUGNEF-FGZHOGPDSA-N 2 1 385.596 3.629 20 0 GHADMP C[NH2+][C@H](Cc1ccccc1)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001218883243 1031132559 /nfs/dbraw/zinc/13/25/59/1031132559.db2.gz FYKQWBNVTZCXIQ-OAQYLSRUSA-N 2 1 376.504 3.824 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001224900917 1031169882 /nfs/dbraw/zinc/16/98/82/1031169882.db2.gz WIDXXALSGOPBBU-BVSLBCMMSA-N 2 1 386.584 3.632 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC001225130018 1031270813 /nfs/dbraw/zinc/27/08/13/1031270813.db2.gz DSZJKGKPQLBFLO-JOCHJYFZSA-N 2 1 386.584 3.688 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)c1ccccc1 ZINC001219537540 1031480912 /nfs/dbraw/zinc/48/09/12/1031480912.db2.gz NIXNKLZZMOFPNF-JZWVFAODSA-N 2 1 393.531 3.936 20 0 GHADMP C[C@@H]1[C@H](CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001219589583 1031512152 /nfs/dbraw/zinc/51/21/52/1031512152.db2.gz YPHHIVJXWHAPPU-CSGUBPAMSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@H]1[C@@H](CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001219589586 1031512766 /nfs/dbraw/zinc/51/27/66/1031512766.db2.gz YPHHIVJXWHAPPU-ZZTDLJEGSA-N 2 1 391.559 3.743 20 0 GHADMP CCc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cs1 ZINC001219729351 1031580999 /nfs/dbraw/zinc/58/09/99/1031580999.db2.gz UHZFBNUGGYPXTF-FQEVSTJZSA-N 2 1 397.588 3.542 20 0 GHADMP CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)(c2ccccc2)CC1 ZINC001153989327 1031860070 /nfs/dbraw/zinc/86/00/70/1031860070.db2.gz PEZXUWVPFAQTRC-RTWAWAEBSA-N 2 1 397.607 3.809 20 0 GHADMP CC[C@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC001220618776 1032017933 /nfs/dbraw/zinc/01/79/33/1032017933.db2.gz DBIUJLFJQIHOIM-JOCHJYFZSA-N 2 1 388.600 3.631 20 0 GHADMP Clc1ccsc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001205333589 1033366037 /nfs/dbraw/zinc/36/60/37/1033366037.db2.gz KNAZRWUKJJSXIJ-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cn1 ZINC001205370458 1033381224 /nfs/dbraw/zinc/38/12/24/1033381224.db2.gz ICJCAAPVCWOSFE-UHFFFAOYSA-N 2 1 395.425 3.560 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cn1 ZINC001205370458 1033381241 /nfs/dbraw/zinc/38/12/41/1033381241.db2.gz ICJCAAPVCWOSFE-UHFFFAOYSA-N 2 1 395.425 3.560 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001229453700 1033488839 /nfs/dbraw/zinc/48/88/39/1033488839.db2.gz GGAPEMJBHGEPBU-BURNTYAHSA-N 2 1 388.600 3.800 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001229453700 1033488848 /nfs/dbraw/zinc/48/88/48/1033488848.db2.gz GGAPEMJBHGEPBU-BURNTYAHSA-N 2 1 388.600 3.800 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001229453700 1033488850 /nfs/dbraw/zinc/48/88/50/1033488850.db2.gz GGAPEMJBHGEPBU-BURNTYAHSA-N 2 1 388.600 3.800 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)ccc1OC(=O)c1cccs1 ZINC001205617284 1033494104 /nfs/dbraw/zinc/49/41/04/1033494104.db2.gz ITGWOHLRCBCWLF-WBVHZDCISA-N 2 1 388.533 3.783 20 0 GHADMP COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC001205750991 1033559137 /nfs/dbraw/zinc/55/91/37/1033559137.db2.gz VMTSAOQBOBPHNE-FEVSWUGISA-N 2 1 393.575 3.941 20 0 GHADMP COC(=O)C1=C[C@H](Oc2cccc([C@H](C)[NH+](C)C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001229622430 1033600414 /nfs/dbraw/zinc/60/04/14/1033600414.db2.gz MVLWCRKBBPAZLS-MBSDFSHPSA-N 2 1 394.515 3.672 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013145 1033685954 /nfs/dbraw/zinc/68/59/54/1033685954.db2.gz PQVJBMKNWUEVEX-UONOGXRCSA-N 2 1 377.916 3.805 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246524319 1033698337 /nfs/dbraw/zinc/69/83/37/1033698337.db2.gz FVJXWCVRMABRCE-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]3OCCC[C@H]3C2)cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246524319 1033698344 /nfs/dbraw/zinc/69/83/44/1033698344.db2.gz FVJXWCVRMABRCE-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[NH+]2CC[C@H]3OCCC[C@H]3C2)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246524319 1033698353 /nfs/dbraw/zinc/69/83/53/1033698353.db2.gz FVJXWCVRMABRCE-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnccc2-c2cccc(Br)c2)CC[C@H]1F ZINC001206166261 1033749084 /nfs/dbraw/zinc/74/90/84/1033749084.db2.gz RMTPOKIMLKKNAQ-QZTJIDSGSA-N 2 1 378.289 3.772 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@@H]([NH3+])[C@H]4C)c23)C1 ZINC001157746495 1033750457 /nfs/dbraw/zinc/75/04/57/1033750457.db2.gz QSPQHPFLGZHJQK-BFYDXBDKSA-N 2 1 399.608 3.728 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@H]1F ZINC001206200884 1033760692 /nfs/dbraw/zinc/76/06/92/1033760692.db2.gz UCJAMYKYKLGNGA-IAGOWNOFSA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@H]1F ZINC001206200884 1033760703 /nfs/dbraw/zinc/76/07/03/1033760703.db2.gz UCJAMYKYKLGNGA-IAGOWNOFSA-N 2 1 383.389 3.908 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)ccc1-2 ZINC001206197799 1033761039 /nfs/dbraw/zinc/76/10/39/1033761039.db2.gz JKECBWCTKRLYLY-VQTJNVASSA-N 2 1 376.472 3.735 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC001206598774 1033919586 /nfs/dbraw/zinc/91/95/86/1033919586.db2.gz MNIQESBTNKUDOF-KRWDZBQOSA-N 2 1 391.357 3.987 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(Br)c2nsnc21)[C@H]1CCC[NH2+]CC1 ZINC001206606128 1033922103 /nfs/dbraw/zinc/92/21/03/1033922103.db2.gz DZTFKBZYJIOORL-ZDUSSCGKSA-N 2 1 383.359 3.806 20 0 GHADMP COc1ccc(CN(c2cc[nH+]c(N3CCCCC3)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158158029 1033942591 /nfs/dbraw/zinc/94/25/91/1033942591.db2.gz KKKSMTCZWLMRON-MXVIHJGJSA-N 2 1 395.551 3.752 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2ccnc(OC)c2)C2CC[NH2+]CC2)nc1 ZINC001158333300 1034027723 /nfs/dbraw/zinc/02/77/23/1034027723.db2.gz GOHVKBIZFOPUIX-NRFANRHFSA-N 2 1 395.551 3.922 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ncc3ccccn31)CC2 ZINC001207051605 1034071410 /nfs/dbraw/zinc/07/14/10/1034071410.db2.gz KZLFJAANTWZAPC-JOCHJYFZSA-N 2 1 390.531 3.590 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(I)s2)CC1 ZINC001461887799 1069841991 /nfs/dbraw/zinc/84/19/91/1069841991.db2.gz ZIRCZIRFFCKOJL-UHFFFAOYSA-N 2 1 378.323 3.516 20 0 GHADMP C[NH+](C)CC(C)(C)C[N@H+]1C[C@H]2c3ccccc3CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001207280662 1034235024 /nfs/dbraw/zinc/23/50/24/1034235024.db2.gz XWHOZIOTJWAOIC-VQTJNVASSA-N 2 1 387.568 3.793 20 0 GHADMP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2c3ccccc3CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001207280662 1034235039 /nfs/dbraw/zinc/23/50/39/1034235039.db2.gz XWHOZIOTJWAOIC-VQTJNVASSA-N 2 1 387.568 3.793 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC12CC2 ZINC001207287665 1034239219 /nfs/dbraw/zinc/23/92/19/1034239219.db2.gz WAKANFBLNIIADL-OAQYLSRUSA-N 2 1 399.579 3.888 20 0 GHADMP O=C([C@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001207291349 1034241789 /nfs/dbraw/zinc/24/17/89/1034241789.db2.gz OCEAUEHOQNWTAT-QHCPKHFHSA-N 2 1 383.580 3.623 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CCN(CCCc2ccc(Br)cc2)CC1 ZINC001207322606 1034270838 /nfs/dbraw/zinc/27/08/38/1034270838.db2.gz XZKVCJBQBXWTSM-UHFFFAOYSA-N 2 1 395.385 3.957 20 0 GHADMP C[N@H+](C1CCOCC1)C1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207322606 1034270849 /nfs/dbraw/zinc/27/08/49/1034270849.db2.gz XZKVCJBQBXWTSM-UHFFFAOYSA-N 2 1 395.385 3.957 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207322606 1034270865 /nfs/dbraw/zinc/27/08/65/1034270865.db2.gz XZKVCJBQBXWTSM-UHFFFAOYSA-N 2 1 395.385 3.957 20 0 GHADMP CCOC[C@@H]1C[N@@H+](CCC2CC[NH+](C)CC2)Cc2cn(CC3CCCC3)nc21 ZINC001207482129 1034391616 /nfs/dbraw/zinc/39/16/16/1034391616.db2.gz JKDGTYXYVMRPPY-QFIPXVFZSA-N 2 1 388.600 3.741 20 0 GHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001231107950 1034402160 /nfs/dbraw/zinc/40/21/60/1034402160.db2.gz WVWVWKXSQVOOCF-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CCCc1cccc(F)c1)CC2 ZINC001207600647 1034477778 /nfs/dbraw/zinc/47/77/78/1034477778.db2.gz WHYNNAWSSPBWJS-HSZRJFAPSA-N 2 1 397.538 3.909 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001159207606 1034484495 /nfs/dbraw/zinc/48/44/95/1034484495.db2.gz HSQCFFWGMUPCNE-GGAORHGYSA-N 2 1 387.612 3.766 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001207649589 1034511178 /nfs/dbraw/zinc/51/11/78/1034511178.db2.gz YRSIKTHSFWCEKC-FQEVSTJZSA-N 2 1 390.616 3.695 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cccnc34)C[C@H]21 ZINC001231489358 1034634343 /nfs/dbraw/zinc/63/43/43/1034634343.db2.gz JJALYAUWSMQJKT-UCNVEGJOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cccnc34)C[C@H]21 ZINC001231489358 1034634353 /nfs/dbraw/zinc/63/43/53/1034634353.db2.gz JJALYAUWSMQJKT-UCNVEGJOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4cccnc34)C[C@H]21 ZINC001231489358 1034634358 /nfs/dbraw/zinc/63/43/58/1034634358.db2.gz JJALYAUWSMQJKT-UCNVEGJOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cccnc34)C[C@H]21 ZINC001231489358 1034634362 /nfs/dbraw/zinc/63/43/62/1034634362.db2.gz JJALYAUWSMQJKT-UCNVEGJOSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1c(C)c(C)c(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)c(C)c1C ZINC001231493532 1034637574 /nfs/dbraw/zinc/63/75/74/1034637574.db2.gz ZOLNTYDNRQXUCP-UHFFFAOYSA-N 2 1 395.591 3.553 20 0 GHADMP C[C@H](C[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21)c1ccccc1 ZINC001207906338 1034647668 /nfs/dbraw/zinc/64/76/68/1034647668.db2.gz NDRXQBNRLCLKSQ-OTUUDDROSA-N 2 1 386.580 3.770 20 0 GHADMP CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)CC1 ZINC001207940168 1034670045 /nfs/dbraw/zinc/67/00/45/1034670045.db2.gz JROKXMLSOSOTMT-OAQYLSRUSA-N 2 1 398.595 3.984 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cn1 ZINC001231532499 1034685629 /nfs/dbraw/zinc/68/56/29/1034685629.db2.gz DMXGLLMWYOKXTE-UHFFFAOYSA-N 2 1 395.547 3.736 20 0 GHADMP Cn1c2ccccc2c(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1-c1ccccc1 ZINC001231574354 1034724821 /nfs/dbraw/zinc/72/48/21/1034724821.db2.gz VVSDCNQXLUEHOQ-UHFFFAOYSA-N 2 1 376.548 3.525 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nc4c(s2)CCCC4)CC3)c1 ZINC001231582825 1034734244 /nfs/dbraw/zinc/73/42/44/1034734244.db2.gz XAUMNWOXJVTIOZ-UHFFFAOYSA-N 2 1 382.577 3.905 20 0 GHADMP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157196 1034761658 /nfs/dbraw/zinc/76/16/58/1034761658.db2.gz UXSCZKRORLIBJW-QTGUNEKASA-N 2 1 383.536 3.700 20 0 GHADMP Cc1ccc([C@@H](C)CC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157196 1034761674 /nfs/dbraw/zinc/76/16/74/1034761674.db2.gz UXSCZKRORLIBJW-QTGUNEKASA-N 2 1 383.536 3.700 20 0 GHADMP Cc1ccc([C@@H](C)CC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001208157196 1034761690 /nfs/dbraw/zinc/76/16/90/1034761690.db2.gz UXSCZKRORLIBJW-QTGUNEKASA-N 2 1 383.536 3.700 20 0 GHADMP CCCCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001231781319 1034904406 /nfs/dbraw/zinc/90/44/06/1034904406.db2.gz JHCHWVMHVXLRAB-JWQCQUIFSA-N 2 1 399.623 3.790 20 0 GHADMP CCCCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001231781319 1034904410 /nfs/dbraw/zinc/90/44/10/1034904410.db2.gz JHCHWVMHVXLRAB-JWQCQUIFSA-N 2 1 399.623 3.790 20 0 GHADMP CCCCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001231781319 1034904414 /nfs/dbraw/zinc/90/44/14/1034904414.db2.gz JHCHWVMHVXLRAB-JWQCQUIFSA-N 2 1 399.623 3.790 20 0 GHADMP [NH3+]CC1(CC(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CCCCC1 ZINC001160294363 1034932062 /nfs/dbraw/zinc/93/20/62/1034932062.db2.gz ALKWQJNDYGOBTM-HSZRJFAPSA-N 2 1 387.543 3.692 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001208630897 1034960488 /nfs/dbraw/zinc/96/04/88/1034960488.db2.gz IVPSSRXZNWGIGL-GHIJRLNRSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001208630897 1034960490 /nfs/dbraw/zinc/96/04/90/1034960490.db2.gz IVPSSRXZNWGIGL-GHIJRLNRSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001208630897 1034960493 /nfs/dbraw/zinc/96/04/93/1034960493.db2.gz IVPSSRXZNWGIGL-GHIJRLNRSA-N 2 1 399.579 3.593 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001208630897 1034960494 /nfs/dbraw/zinc/96/04/94/1034960494.db2.gz IVPSSRXZNWGIGL-GHIJRLNRSA-N 2 1 399.579 3.593 20 0 GHADMP C[N@@H+](CCOCCOCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208752836 1034999223 /nfs/dbraw/zinc/99/92/23/1034999223.db2.gz YICMAZIVDLSEAC-XMMPIXPASA-N 2 1 382.548 3.674 20 0 GHADMP C[NH+](CCOCCOCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208752836 1034999227 /nfs/dbraw/zinc/99/92/27/1034999227.db2.gz YICMAZIVDLSEAC-XMMPIXPASA-N 2 1 382.548 3.674 20 0 GHADMP C[NH+](CCOCCOCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208752836 1034999230 /nfs/dbraw/zinc/99/92/30/1034999230.db2.gz YICMAZIVDLSEAC-XMMPIXPASA-N 2 1 382.548 3.674 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001208758706 1035003688 /nfs/dbraw/zinc/00/36/88/1035003688.db2.gz OJGATESEPDVSNT-FGZHOGPDSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001208758706 1035003699 /nfs/dbraw/zinc/00/36/99/1035003699.db2.gz OJGATESEPDVSNT-FGZHOGPDSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001208758706 1035003708 /nfs/dbraw/zinc/00/37/08/1035003708.db2.gz OJGATESEPDVSNT-FGZHOGPDSA-N 2 1 380.532 3.700 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001160593150 1035012535 /nfs/dbraw/zinc/01/25/35/1035012535.db2.gz OCOBGNCFGSWTFU-ZEQRLZLVSA-N 2 1 391.559 3.769 20 0 GHADMP COC(=O)c1ccc(-c2ccc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)[nH+]c2C)cc1 ZINC001160745620 1035053325 /nfs/dbraw/zinc/05/33/25/1035053325.db2.gz YEWZJQNWGLYRJF-IAGOWNOFSA-N 2 1 393.409 3.796 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCN(c5ccccc5)CC4)C[C@H]3C2)cc1 ZINC001208910019 1035086110 /nfs/dbraw/zinc/08/61/10/1035086110.db2.gz AVRNWMSISHLDCS-PSWAGMNNSA-N 2 1 375.560 3.967 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093678 1035090807 /nfs/dbraw/zinc/09/08/07/1035090807.db2.gz XWSWFKQDEYKNPK-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093678 1035090815 /nfs/dbraw/zinc/09/08/15/1035090815.db2.gz XWSWFKQDEYKNPK-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093678 1035090822 /nfs/dbraw/zinc/09/08/22/1035090822.db2.gz XWSWFKQDEYKNPK-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ccncc4[nH]3)C[C@@H]21 ZINC001232093678 1035090827 /nfs/dbraw/zinc/09/08/27/1035090827.db2.gz XWSWFKQDEYKNPK-AVCGJXAMSA-N 2 1 375.520 3.690 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CCC[NH+](Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094125 /nfs/dbraw/zinc/09/41/25/1035094125.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 2 1 378.564 3.502 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CCC[N@H+](Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094131 /nfs/dbraw/zinc/09/41/31/1035094131.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 2 1 378.564 3.502 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](CN3CCC[N@@H+](Cc4ccncc4)CC3)C2)cc1 ZINC001208931318 1035094138 /nfs/dbraw/zinc/09/41/38/1035094138.db2.gz JAAWZFZIIJNKKD-DEOSSOPVSA-N 2 1 378.564 3.502 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208930986 1035094475 /nfs/dbraw/zinc/09/44/75/1035094475.db2.gz GNBBZZWKGXLJBW-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208930986 1035094480 /nfs/dbraw/zinc/09/44/80/1035094480.db2.gz GNBBZZWKGXLJBW-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208930986 1035094485 /nfs/dbraw/zinc/09/44/85/1035094485.db2.gz GNBBZZWKGXLJBW-OAQYLSRUSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934727 1035100250 /nfs/dbraw/zinc/10/02/50/1035100250.db2.gz IKHWYGVZSWOWRV-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[NH+]2C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208934727 1035100268 /nfs/dbraw/zinc/10/02/68/1035100268.db2.gz IKHWYGVZSWOWRV-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[NH+]2C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208934727 1035100271 /nfs/dbraw/zinc/10/02/71/1035100271.db2.gz IKHWYGVZSWOWRV-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938970 1035107023 /nfs/dbraw/zinc/10/70/23/1035107023.db2.gz AJRMKPXFLROMCL-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938970 1035107029 /nfs/dbraw/zinc/10/70/29/1035107029.db2.gz AJRMKPXFLROMCL-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938970 1035107032 /nfs/dbraw/zinc/10/70/32/1035107032.db2.gz AJRMKPXFLROMCL-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938970 1035107034 /nfs/dbraw/zinc/10/70/34/1035107034.db2.gz AJRMKPXFLROMCL-YADHBBJMSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942732 1035114046 /nfs/dbraw/zinc/11/40/46/1035114046.db2.gz RIEVEDYBVJANEW-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942732 1035114049 /nfs/dbraw/zinc/11/40/49/1035114049.db2.gz RIEVEDYBVJANEW-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942732 1035114053 /nfs/dbraw/zinc/11/40/53/1035114053.db2.gz RIEVEDYBVJANEW-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208944566 1035116087 /nfs/dbraw/zinc/11/60/87/1035116087.db2.gz LCBRSOSYTSVNRQ-NFBKMPQASA-N 2 1 395.572 3.699 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208944566 1035116090 /nfs/dbraw/zinc/11/60/90/1035116090.db2.gz LCBRSOSYTSVNRQ-NFBKMPQASA-N 2 1 395.572 3.699 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208944566 1035116093 /nfs/dbraw/zinc/11/60/93/1035116093.db2.gz LCBRSOSYTSVNRQ-NFBKMPQASA-N 2 1 395.572 3.699 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949688 1035120674 /nfs/dbraw/zinc/12/06/74/1035120674.db2.gz NJOLEESWUDAWRS-ISJGIBHGSA-N 2 1 375.560 3.572 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950402 1035122094 /nfs/dbraw/zinc/12/20/94/1035122094.db2.gz SVEWQQCTCKDBCH-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950402 1035122099 /nfs/dbraw/zinc/12/20/99/1035122099.db2.gz SVEWQQCTCKDBCH-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950402 1035122104 /nfs/dbraw/zinc/12/21/04/1035122104.db2.gz SVEWQQCTCKDBCH-RTWAWAEBSA-N 2 1 387.568 3.745 20 0 GHADMP O=C1Nc2ccccc2C2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208951572 1035123469 /nfs/dbraw/zinc/12/34/69/1035123469.db2.gz DCIGUORXAITDGV-FQEVSTJZSA-N 2 1 390.531 3.635 20 0 GHADMP O=C1C[C@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953168 1035125144 /nfs/dbraw/zinc/12/51/44/1035125144.db2.gz YTSOBUPXSJKHHZ-OFNKIYASSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1C[C@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953168 1035125150 /nfs/dbraw/zinc/12/51/50/1035125150.db2.gz YTSOBUPXSJKHHZ-OFNKIYASSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1C[C@]2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953168 1035125155 /nfs/dbraw/zinc/12/51/55/1035125155.db2.gz YTSOBUPXSJKHHZ-OFNKIYASSA-N 2 1 395.572 3.699 20 0 GHADMP COc1ccccc1[C@H](O)C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208952191 1035125339 /nfs/dbraw/zinc/12/53/39/1035125339.db2.gz HKVQAVYESYYGEL-JTHBVZDNSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@H](O)C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208952191 1035125344 /nfs/dbraw/zinc/12/53/44/1035125344.db2.gz HKVQAVYESYYGEL-JTHBVZDNSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@H](O)C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208952191 1035125349 /nfs/dbraw/zinc/12/53/49/1035125349.db2.gz HKVQAVYESYYGEL-JTHBVZDNSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@H](O)C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208952191 1035125354 /nfs/dbraw/zinc/12/53/54/1035125354.db2.gz HKVQAVYESYYGEL-JTHBVZDNSA-N 2 1 382.548 3.961 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208955875 1035128073 /nfs/dbraw/zinc/12/80/73/1035128073.db2.gz GENPPQOBUDMTRA-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208955875 1035128079 /nfs/dbraw/zinc/12/80/79/1035128079.db2.gz GENPPQOBUDMTRA-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208955875 1035128081 /nfs/dbraw/zinc/12/80/81/1035128081.db2.gz GENPPQOBUDMTRA-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208955875 1035128087 /nfs/dbraw/zinc/12/80/87/1035128087.db2.gz GENPPQOBUDMTRA-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP O=C(c1cccc2c1C[NH2+]CC2)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161057806 1035128328 /nfs/dbraw/zinc/12/83/28/1035128328.db2.gz GYAURVXWACCWFC-QFIPXVFZSA-N 2 1 389.543 3.602 20 0 GHADMP CCOC(=O)c1coc(C2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208961046 1035132101 /nfs/dbraw/zinc/13/21/01/1035132101.db2.gz YCVUVCVVEAMMMT-IBGZPJMESA-N 2 1 397.519 3.553 20 0 GHADMP CCOC(=O)c1coc(C2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208961046 1035132109 /nfs/dbraw/zinc/13/21/09/1035132109.db2.gz YCVUVCVVEAMMMT-IBGZPJMESA-N 2 1 397.519 3.553 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208965065 1035133456 /nfs/dbraw/zinc/13/34/56/1035133456.db2.gz WMFHTAOIBANXFG-IRLDBZIGSA-N 2 1 390.531 3.631 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208965065 1035133457 /nfs/dbraw/zinc/13/34/57/1035133457.db2.gz WMFHTAOIBANXFG-IRLDBZIGSA-N 2 1 390.531 3.631 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208965065 1035133466 /nfs/dbraw/zinc/13/34/66/1035133466.db2.gz WMFHTAOIBANXFG-IRLDBZIGSA-N 2 1 390.531 3.631 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208965065 1035133472 /nfs/dbraw/zinc/13/34/72/1035133472.db2.gz WMFHTAOIBANXFG-IRLDBZIGSA-N 2 1 390.531 3.631 20 0 GHADMP c1csc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CCC4(CC2)OCCO4)CC3)c1 ZINC001209101542 1035173444 /nfs/dbraw/zinc/17/34/44/1035173444.db2.gz QSNXHEZDLVFDCQ-UHFFFAOYSA-N 2 1 390.593 3.969 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209124796 1035184114 /nfs/dbraw/zinc/18/41/14/1035184114.db2.gz PEZJMOURQMXMJW-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209124796 1035184118 /nfs/dbraw/zinc/18/41/18/1035184118.db2.gz PEZJMOURQMXMJW-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209124796 1035184121 /nfs/dbraw/zinc/18/41/21/1035184121.db2.gz PEZJMOURQMXMJW-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1ccc(C(F)(F)F)cc1)C2 ZINC001209124796 1035184124 /nfs/dbraw/zinc/18/41/24/1035184124.db2.gz PEZJMOURQMXMJW-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001209154667 1035195116 /nfs/dbraw/zinc/19/51/16/1035195116.db2.gz QNQNDOHFHIUJQZ-NNWRFLSQSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209154667 1035195118 /nfs/dbraw/zinc/19/51/18/1035195118.db2.gz QNQNDOHFHIUJQZ-NNWRFLSQSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209154667 1035195124 /nfs/dbraw/zinc/19/51/24/1035195124.db2.gz QNQNDOHFHIUJQZ-NNWRFLSQSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209154667 1035195127 /nfs/dbraw/zinc/19/51/27/1035195127.db2.gz QNQNDOHFHIUJQZ-NNWRFLSQSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209154667 1035195130 /nfs/dbraw/zinc/19/51/30/1035195130.db2.gz QNQNDOHFHIUJQZ-NNWRFLSQSA-N 2 1 387.568 3.736 20 0 GHADMP CCCc1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH+]4CCC([NH3+])CC4)C3)cc2)cc1 ZINC001161378953 1035219424 /nfs/dbraw/zinc/21/94/24/1035219424.db2.gz BULCCDKFDJCJEU-XMMPIXPASA-N 2 1 391.559 3.944 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209372334 1035257783 /nfs/dbraw/zinc/25/77/83/1035257783.db2.gz XANHAYXOJLETSV-JOCHJYFZSA-N 2 1 397.604 3.504 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209372334 1035257790 /nfs/dbraw/zinc/25/77/90/1035257790.db2.gz XANHAYXOJLETSV-JOCHJYFZSA-N 2 1 397.604 3.504 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209372334 1035257792 /nfs/dbraw/zinc/25/77/92/1035257792.db2.gz XANHAYXOJLETSV-JOCHJYFZSA-N 2 1 397.604 3.504 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209372334 1035257795 /nfs/dbraw/zinc/25/77/95/1035257795.db2.gz XANHAYXOJLETSV-JOCHJYFZSA-N 2 1 397.604 3.504 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451925 1035278021 /nfs/dbraw/zinc/27/80/21/1035278021.db2.gz WVWZSZRBRIWVSM-OAQYLSRUSA-N 2 1 375.582 3.552 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451924 1035278226 /nfs/dbraw/zinc/27/82/26/1035278226.db2.gz WVWZSZRBRIWVSM-NRFANRHFSA-N 2 1 375.582 3.552 20 0 GHADMP CC[C@H](C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209466294 1035281752 /nfs/dbraw/zinc/28/17/52/1035281752.db2.gz LEXTYOKYPXLIFP-NJDAHSKKSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209466294 1035281755 /nfs/dbraw/zinc/28/17/55/1035281755.db2.gz LEXTYOKYPXLIFP-NJDAHSKKSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209466294 1035281760 /nfs/dbraw/zinc/28/17/60/1035281760.db2.gz LEXTYOKYPXLIFP-NJDAHSKKSA-N 2 1 387.568 3.744 20 0 GHADMP CC[C@H](C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209466294 1035281762 /nfs/dbraw/zinc/28/17/62/1035281762.db2.gz LEXTYOKYPXLIFP-NJDAHSKKSA-N 2 1 387.568 3.744 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503113 1035294666 /nfs/dbraw/zinc/29/46/66/1035294666.db2.gz SKKBCANPHBUBMQ-AJSBUHFISA-N 2 1 392.547 3.534 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503113 1035294672 /nfs/dbraw/zinc/29/46/72/1035294672.db2.gz SKKBCANPHBUBMQ-AJSBUHFISA-N 2 1 392.547 3.534 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503119 1035294744 /nfs/dbraw/zinc/29/47/44/1035294744.db2.gz SKKBCANPHBUBMQ-WWPVKYPJSA-N 2 1 392.547 3.534 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503119 1035294748 /nfs/dbraw/zinc/29/47/48/1035294748.db2.gz SKKBCANPHBUBMQ-WWPVKYPJSA-N 2 1 392.547 3.534 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3[N@@H+]2CC2CC2)c1 ZINC001209512387 1035299078 /nfs/dbraw/zinc/29/90/78/1035299078.db2.gz YEBJOZRIKGHMRA-GPXNEJASSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001209512387 1035299081 /nfs/dbraw/zinc/29/90/81/1035299081.db2.gz YEBJOZRIKGHMRA-GPXNEJASSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001209512387 1035299082 /nfs/dbraw/zinc/29/90/82/1035299082.db2.gz YEBJOZRIKGHMRA-GPXNEJASSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001209512387 1035299084 /nfs/dbraw/zinc/29/90/84/1035299084.db2.gz YEBJOZRIKGHMRA-GPXNEJASSA-N 2 1 389.547 3.739 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC001161871293 1035318661 /nfs/dbraw/zinc/31/86/61/1035318661.db2.gz XFLBPGCZWZZBAL-UHFFFAOYSA-N 2 1 387.940 3.847 20 0 GHADMP [NH3+][C@H](CCc1ccccc1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248189079 1035617375 /nfs/dbraw/zinc/61/73/75/1035617375.db2.gz HCWRXMLGOHYHSD-APEZIOSESA-N 2 1 375.476 3.831 20 0 GHADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3cnn(C4CC[NH+](C)CC4)c3)cc12 ZINC001242730134 1035949625 /nfs/dbraw/zinc/94/96/25/1035949625.db2.gz ZKFJNNNZATURGL-OAQYLSRUSA-N 2 1 377.536 3.935 20 0 GHADMP COc1c(Br)cc(F)cc1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001243237116 1036073762 /nfs/dbraw/zinc/07/37/62/1036073762.db2.gz VVZMIGVWOBJFIC-UHFFFAOYSA-N 2 1 376.229 3.598 20 0 GHADMP C[C@H](N[C@H](CC(N)=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462057001 1069970539 /nfs/dbraw/zinc/97/05/39/1069970539.db2.gz AZGQXWAEKGEABD-YRISNDGFSA-N 2 1 385.939 3.757 20 0 GHADMP COc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c1 ZINC001278421715 1037068989 /nfs/dbraw/zinc/06/89/89/1037068989.db2.gz QAWCYCXHJOWHOO-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC001246006439 1037124847 /nfs/dbraw/zinc/12/48/47/1037124847.db2.gz WOCMFSURKLYOPK-APWZRJJASA-N 2 1 388.930 3.884 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC001246006445 1037125769 /nfs/dbraw/zinc/12/57/69/1037125769.db2.gz WOCMFSURKLYOPK-LPHOPBHVSA-N 2 1 388.930 3.884 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001246028433 1037143043 /nfs/dbraw/zinc/14/30/43/1037143043.db2.gz RYIWUBWCHDYTDS-UUOWRZLLSA-N 2 1 393.531 3.669 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246031326 1037146917 /nfs/dbraw/zinc/14/69/17/1037146917.db2.gz PSRSJULLFIKSFJ-XUZZJYLKSA-N 2 1 382.548 3.825 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC001246069732 1037182929 /nfs/dbraw/zinc/18/29/29/1037182929.db2.gz ZFZAPHXIXBTBFU-DAWZGUTISA-N 2 1 381.520 3.523 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071517 1037185204 /nfs/dbraw/zinc/18/52/04/1037185204.db2.gz SWJFBMSNZGPRMT-ADHNFCLRSA-N 2 1 391.600 3.747 20 0 GHADMP FC1(CN[C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246094605 1037194362 /nfs/dbraw/zinc/19/43/62/1037194362.db2.gz VOTISSMQPHWVDB-JBRSBNLGSA-N 2 1 393.550 3.653 20 0 GHADMP FC1(CN[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246094605 1037194369 /nfs/dbraw/zinc/19/43/69/1037194369.db2.gz VOTISSMQPHWVDB-JBRSBNLGSA-N 2 1 393.550 3.653 20 0 GHADMP FC1(C[NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)CNC1 ZINC001246094605 1037194376 /nfs/dbraw/zinc/19/43/76/1037194376.db2.gz VOTISSMQPHWVDB-JBRSBNLGSA-N 2 1 393.550 3.653 20 0 GHADMP FC1(C[NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CNC1 ZINC001246094605 1037194384 /nfs/dbraw/zinc/19/43/84/1037194384.db2.gz VOTISSMQPHWVDB-JBRSBNLGSA-N 2 1 393.550 3.653 20 0 GHADMP COc1ccc2c(c1)C1(C[C@H]2N[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246122366 1037200798 /nfs/dbraw/zinc/20/07/98/1037200798.db2.gz AGVQAWAACXCDAS-WZONZLPQSA-N 2 1 383.580 3.758 20 0 GHADMP COc1ccc2c(c1)C1(C[C@H]2N[C@@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246122366 1037200816 /nfs/dbraw/zinc/20/08/16/1037200816.db2.gz AGVQAWAACXCDAS-WZONZLPQSA-N 2 1 383.580 3.758 20 0 GHADMP CC[C@@H]1C[C@@H](N[C@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)CC[NH2+]1 ZINC001246129777 1037207012 /nfs/dbraw/zinc/20/70/12/1037207012.db2.gz PKZZUXKFZRSHFC-VKJFTORMSA-N 2 1 392.385 3.635 20 0 GHADMP C[C@@H]1C[C@@H](N[C@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246186448 1037225512 /nfs/dbraw/zinc/22/55/12/1037225512.db2.gz AALCCKFNOSWVAG-WOUAJJJCSA-N 2 1 383.502 3.948 20 0 GHADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246227706 1037247146 /nfs/dbraw/zinc/24/71/46/1037247146.db2.gz HRGXPNIQBXBATB-LEWJYISDSA-N 2 1 386.486 3.957 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256119 1037256718 /nfs/dbraw/zinc/25/67/18/1037256718.db2.gz MTJFSGVGHLYMBL-XJABCFGWSA-N 2 1 382.504 3.600 20 0 GHADMP CC[C@H]1CC([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246275467 1037271364 /nfs/dbraw/zinc/27/13/64/1037271364.db2.gz UVSQNYBCZUFBAD-JTAQYXEDSA-N 2 1 385.596 3.945 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H](n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)CC[NH2+]1 ZINC001246295082 1037282989 /nfs/dbraw/zinc/28/29/89/1037282989.db2.gz SNJYOZVKBHYSFW-OFNKIYASSA-N 2 1 382.596 3.946 20 0 GHADMP CCCC[C@H]([NH3+])Cc1cn([C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)c2ccccc12 ZINC001246331209 1037298531 /nfs/dbraw/zinc/29/85/31/1037298531.db2.gz DTDGOOBPUVVPNR-NSHGMRRFSA-N 2 1 385.552 3.946 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]3CC[NH2+]C(C)(C)C3)ccc12 ZINC001246348400 1037309104 /nfs/dbraw/zinc/30/91/04/1037309104.db2.gz FTQXACXPPQOZJL-HKUYNNGSSA-N 2 1 399.535 3.575 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)C[C@H](C)[NH2+]1 ZINC001246361490 1037319782 /nfs/dbraw/zinc/31/97/82/1037319782.db2.gz OOVUSPOPKDLKSQ-CWPLJXCYSA-N 2 1 394.401 3.780 20 0 GHADMP COc1ccccc1C1(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC001246378331 1037336814 /nfs/dbraw/zinc/33/68/14/1037336814.db2.gz WFRPJWCPPOESGG-UNMCSNQZSA-N 2 1 393.575 3.917 20 0 GHADMP c1ccc(-c2nnc3ccc(C[NH2+][C@@H]4CC[NH2+]C5(CCCCC5)C4)cn32)cc1 ZINC001246384963 1037346206 /nfs/dbraw/zinc/34/62/06/1037346206.db2.gz CTVLKRFCRVIWDH-HXUWFJFHSA-N 2 1 375.520 3.941 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)C[NH2+]1 ZINC001246402477 1037360854 /nfs/dbraw/zinc/36/08/54/1037360854.db2.gz AVJJEEIGBVDTKO-CRAIPNDOSA-N 2 1 381.358 3.519 20 0 GHADMP CCN1CCC([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CC1 ZINC001246417967 1037373877 /nfs/dbraw/zinc/37/38/77/1037373877.db2.gz YDYRLOWFCMHAJR-UHFFFAOYSA-N 2 1 383.502 3.692 20 0 GHADMP COc1ccccc1CC1(C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246421420 1037379440 /nfs/dbraw/zinc/37/94/40/1037379440.db2.gz RULMHKZZQRRVHY-OAQYLSRUSA-N 3 1 385.596 3.604 20 0 GHADMP COc1ccccc1CC1(C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246421420 1037379462 /nfs/dbraw/zinc/37/94/62/1037379462.db2.gz RULMHKZZQRRVHY-OAQYLSRUSA-N 3 1 385.596 3.604 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001246424510 1037382908 /nfs/dbraw/zinc/38/29/08/1037382908.db2.gz UWHBPZMIOFQUJR-HNNXBMFYSA-N 2 1 385.474 3.521 20 0 GHADMP Fc1cccc(C2([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC[NH2+]CC2)c1 ZINC001246439584 1037402114 /nfs/dbraw/zinc/40/21/14/1037402114.db2.gz WNXCNHYXAAMPOJ-MRXNPFEDSA-N 2 1 378.413 3.969 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N[C@H]4CC45C[NH2+]C5)C[C@@H]23)cc1 ZINC001246442559 1037403844 /nfs/dbraw/zinc/40/38/44/1037403844.db2.gz DAEFIGOOCNTNCZ-OUJSJNLKSA-N 2 1 387.571 3.703 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246441461 1037403994 /nfs/dbraw/zinc/40/39/94/1037403994.db2.gz HMAYQBQAMGAEFX-UTRMSSBJSA-N 3 1 380.374 3.662 20 0 GHADMP C[C@@H]1C[C@@H](NC2(Cc3cccc(F)c3)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246457380 1037415539 /nfs/dbraw/zinc/41/55/39/1037415539.db2.gz KCGWKBYHZSFQEY-AUSIDOKSSA-N 2 1 381.539 3.743 20 0 GHADMP CC[C@H]1CC([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)C[C@H](CC)[NH2+]1 ZINC001246478527 1037425920 /nfs/dbraw/zinc/42/59/20/1037425920.db2.gz OSMQQAZXRIXLRB-OALUTQOASA-N 2 1 386.561 3.918 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCc1ccccc1 ZINC001246484787 1037430625 /nfs/dbraw/zinc/43/06/25/1037430625.db2.gz JCFSFNYASWOWSV-KZNAEPCWSA-N 2 1 386.458 3.938 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([NH2+]CC[C@H]3CC[NH2+]CC3(F)F)CC2)cc1 ZINC001246488535 1037434976 /nfs/dbraw/zinc/43/49/76/1037434976.db2.gz NTYRUNHOOOENSO-CUYAVPTFSA-N 2 1 380.479 3.863 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](OC(=O)NC(C)(C)C)C2)CC[NH2+]1 ZINC001246495969 1037441672 /nfs/dbraw/zinc/44/16/72/1037441672.db2.gz CLAQMGVCPMYMRP-RMJJICAUSA-N 2 1 391.531 3.963 20 0 GHADMP C[C@@H](Cc1cccc(Br)c1)[NH2+]CCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001246501034 1037444315 /nfs/dbraw/zinc/44/43/15/1037444315.db2.gz JZMPIULCGOOWTH-YOEHRIQHSA-N 2 1 399.373 3.809 20 0 GHADMP CCCC[C@@H]1C[C@@H](NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)CC[NH2+]1 ZINC001246516400 1037452742 /nfs/dbraw/zinc/45/27/42/1037452742.db2.gz SAIGCYYXLSQOIH-QHAWAJNXSA-N 2 1 381.992 3.860 20 0 GHADMP COC(=O)c1ccc([C@@H]([NH3+])CN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001246526352 1037456615 /nfs/dbraw/zinc/45/66/15/1037456615.db2.gz PTAYNJUAVXJIBB-VXKWHMMOSA-N 2 1 395.547 3.506 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246528757 1037463756 /nfs/dbraw/zinc/46/37/56/1037463756.db2.gz XVTBVSHIOCNIKV-DJPFJPOOSA-N 2 1 384.495 3.874 20 0 GHADMP Brc1ccccc1[C@H]1CCC[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246538083 1037470795 /nfs/dbraw/zinc/47/07/95/1037470795.db2.gz AMBJMIXNWPBXDK-ZCDLSOSASA-N 2 1 379.342 3.887 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH2+]1 ZINC001246535818 1037470941 /nfs/dbraw/zinc/47/09/41/1037470941.db2.gz LUHLBAAINLAPET-FPOVZHCZSA-N 2 1 386.490 3.674 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH2+]1 ZINC001246535818 1037470961 /nfs/dbraw/zinc/47/09/61/1037470961.db2.gz LUHLBAAINLAPET-FPOVZHCZSA-N 2 1 386.490 3.674 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246535853 1037471092 /nfs/dbraw/zinc/47/10/92/1037471092.db2.gz MPMAAUTXWSLQKF-OYVZEWTCSA-N 2 1 375.560 3.681 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)CC[C@H]2C1 ZINC001246612376 1037501737 /nfs/dbraw/zinc/50/17/37/1037501737.db2.gz IYSQMONHGQWFRP-KELBGUDLSA-N 2 1 395.591 3.926 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3ccc(C)cc3C1)CC2 ZINC001246629515 1037515833 /nfs/dbraw/zinc/51/58/33/1037515833.db2.gz FQSXHPSQSFBFTK-JOCHJYFZSA-N 2 1 376.544 3.998 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001246650857 1037526694 /nfs/dbraw/zinc/52/66/94/1037526694.db2.gz JCDUCNXNBXNWHH-LJQANCHMSA-N 2 1 382.474 3.677 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@H+]2CCCC[C@]23CCC[NH2+]C3)CC1 ZINC001246650857 1037526701 /nfs/dbraw/zinc/52/67/01/1037526701.db2.gz JCDUCNXNBXNWHH-LJQANCHMSA-N 2 1 382.474 3.677 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[N@@H+](C3CCC([NH+](Cc4ccccc4)Cc4ccccc4)CC3)C[C@H]21 ZINC001246657427 1037530582 /nfs/dbraw/zinc/53/05/82/1037530582.db2.gz MFTCNHFYPDMQDB-BPRPSZBZSA-N 3 1 375.560 3.889 20 0 GHADMP CC1(C)C[C@@H](N2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001246659143 1037531511 /nfs/dbraw/zinc/53/15/11/1037531511.db2.gz WDQLYTBHRRKSPQ-BJLQDIEVSA-N 3 1 381.486 3.513 20 0 GHADMP CC1(C)COC2(CCC([N@@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)CC2)OC1 ZINC001246670694 1037536729 /nfs/dbraw/zinc/53/67/29/1037536729.db2.gz DRCUJDPLJRSIGT-FYYLOGMGSA-N 2 1 384.564 3.920 20 0 GHADMP CC1(C)COC2(CCC([N@H+]3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)CC2)OC1 ZINC001246670694 1037536744 /nfs/dbraw/zinc/53/67/44/1037536744.db2.gz DRCUJDPLJRSIGT-FYYLOGMGSA-N 2 1 384.564 3.920 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001246686619 1037547374 /nfs/dbraw/zinc/54/73/74/1037547374.db2.gz SACZNRPHLPBCMP-CYSDGLOUSA-N 2 1 392.543 3.657 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001246686605 1037548967 /nfs/dbraw/zinc/54/89/67/1037548967.db2.gz RZQVBNMWWUMXFW-CYSDGLOUSA-N 2 1 392.543 3.873 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690325 1037551095 /nfs/dbraw/zinc/55/10/95/1037551095.db2.gz KIJLMXPFAJSVLV-CGNZLSCGSA-N 2 1 380.548 3.502 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[NH2+][C@H](c3ccccc3)C2)N1c1ccccc1 ZINC001246730455 1037580685 /nfs/dbraw/zinc/58/06/85/1037580685.db2.gz RUHZSMYQJMLLMK-MYDTUXCISA-N 2 1 375.516 3.750 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[NH2+][C@H](c3ccccc3)C2)N1c1ccccc1 ZINC001246730455 1037580691 /nfs/dbraw/zinc/58/06/91/1037580691.db2.gz RUHZSMYQJMLLMK-MYDTUXCISA-N 2 1 375.516 3.750 20 0 GHADMP CC[C@@H]1CC([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246736744 1037580836 /nfs/dbraw/zinc/58/08/36/1037580836.db2.gz JBYYWBHOUWKZDE-PWRODBHTSA-N 2 1 378.601 3.841 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC[NH2+]1 ZINC001246756136 1037599212 /nfs/dbraw/zinc/59/92/12/1037599212.db2.gz MXMNKLNRTSFPLO-XPWALMASSA-N 2 1 389.559 3.521 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)s1 ZINC001246759722 1037601522 /nfs/dbraw/zinc/60/15/22/1037601522.db2.gz SZOPUJUKZMWLHH-MIZPHKNDSA-N 2 1 395.572 3.979 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)s1 ZINC001246759722 1037601533 /nfs/dbraw/zinc/60/15/33/1037601533.db2.gz SZOPUJUKZMWLHH-MIZPHKNDSA-N 2 1 395.572 3.979 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)C1=O ZINC001246773118 1037616293 /nfs/dbraw/zinc/61/62/93/1037616293.db2.gz DLHDDOBHFHEYDZ-LRARRHDQSA-N 2 1 395.591 3.945 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC001246806750 1037640837 /nfs/dbraw/zinc/64/08/37/1037640837.db2.gz HZISYLHZDDEGSG-GMAHTHKFSA-N 2 1 379.523 3.888 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC001246806750 1037640846 /nfs/dbraw/zinc/64/08/46/1037640846.db2.gz HZISYLHZDDEGSG-GMAHTHKFSA-N 2 1 379.523 3.888 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246813684 1037647056 /nfs/dbraw/zinc/64/70/56/1037647056.db2.gz MLWFEUBXENBOBC-NMLBUPMWSA-N 2 1 375.601 3.704 20 0 GHADMP Clc1ccc2nc(N3CCC[N@H+](C4CCC5(C[NH2+]C5)CC4)CC3)sc2c1 ZINC001246824523 1037656013 /nfs/dbraw/zinc/65/60/13/1037656013.db2.gz SPZKGSVROPVXBC-UHFFFAOYSA-N 2 1 390.984 3.994 20 0 GHADMP CN(C1C[NH2+]C1)[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246828563 1037660688 /nfs/dbraw/zinc/66/06/88/1037660688.db2.gz CFYSLZVYBZHMPY-QLBJFCOMSA-N 2 1 375.560 3.655 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001246858278 1037680469 /nfs/dbraw/zinc/68/04/69/1037680469.db2.gz DSBCPYNLGRSILK-GOSISDBHSA-N 2 1 378.516 3.541 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CSC3(C[NH2+]C3)C2)c(OC)c1 ZINC001246866789 1037685008 /nfs/dbraw/zinc/68/50/08/1037685008.db2.gz DTQFEAPAWLPJPC-IBGZPJMESA-N 2 1 384.545 3.554 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC1 ZINC001246889605 1037705057 /nfs/dbraw/zinc/70/50/57/1037705057.db2.gz RFFBYXZRLGWJLK-UHFFFAOYSA-N 2 1 389.971 3.800 20 0 GHADMP CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246889613 1037706690 /nfs/dbraw/zinc/70/66/90/1037706690.db2.gz GAWHRCZVULSPTI-NJYVYQBISA-N 2 1 376.541 3.550 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246889613 1037706707 /nfs/dbraw/zinc/70/67/07/1037706707.db2.gz GAWHRCZVULSPTI-NJYVYQBISA-N 2 1 376.541 3.550 20 0 GHADMP COc1cc(C[C@H](C)[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC001246926170 1037729802 /nfs/dbraw/zinc/72/98/02/1037729802.db2.gz SIRJYIFCEVTTLS-RXVVDRJESA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC001246926170 1037729817 /nfs/dbraw/zinc/72/98/17/1037729817.db2.gz SIRJYIFCEVTTLS-RXVVDRJESA-N 2 1 398.547 3.898 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1)CC2 ZINC001246932721 1037734461 /nfs/dbraw/zinc/73/44/61/1037734461.db2.gz GICVVNLBCINLPK-WRSRUZKNSA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)C1 ZINC001246938529 1037744097 /nfs/dbraw/zinc/74/40/97/1037744097.db2.gz QBYXJZRTIJFKDR-TZIWHRDSSA-N 2 1 376.516 3.749 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+]([C@H]2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC001246950432 1037754158 /nfs/dbraw/zinc/75/41/58/1037754158.db2.gz UODMZBKRJCSDEO-QFIPXVFZSA-N 3 1 378.649 3.571 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246951416 1037755521 /nfs/dbraw/zinc/75/55/21/1037755521.db2.gz KEYKJAOTBRDILI-FQEVSTJZSA-N 2 1 391.531 3.699 20 0 GHADMP Cc1cc(F)cc(CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246951272 1037757175 /nfs/dbraw/zinc/75/71/75/1037757175.db2.gz GEZVGFRBFIDENQ-DEOSSOPVSA-N 2 1 381.539 3.963 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)CC1 ZINC001246955895 1037765481 /nfs/dbraw/zinc/76/54/81/1037765481.db2.gz VHOKHZREWDKPSY-UHFFFAOYSA-N 2 1 388.552 3.761 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246955589 1037766015 /nfs/dbraw/zinc/76/60/15/1037766015.db2.gz LJACTTDIVYKFEM-XLIONFOSSA-N 2 1 376.516 3.810 20 0 GHADMP COc1ccc(C[N@H+]([C@H](C)CCC(=O)OC(C)C)C2CC[NH2+]CC2)cc1F ZINC001246958770 1037774697 /nfs/dbraw/zinc/77/46/97/1037774697.db2.gz GXPCDTLMGZOVRA-MRXNPFEDSA-N 2 1 380.504 3.509 20 0 GHADMP COc1ccc(C[N@@H+]([C@H](C)CCC(=O)OC(C)C)C2CC[NH2+]CC2)cc1F ZINC001246958770 1037774714 /nfs/dbraw/zinc/77/47/14/1037774714.db2.gz GXPCDTLMGZOVRA-MRXNPFEDSA-N 2 1 380.504 3.509 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)[nH+]1 ZINC001246960674 1037779648 /nfs/dbraw/zinc/77/96/48/1037779648.db2.gz MJMUPWQXJIQIHH-UNMCSNQZSA-N 3 1 382.527 3.889 20 0 GHADMP COc1ccc(CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246963557 1037785818 /nfs/dbraw/zinc/78/58/18/1037785818.db2.gz LCFCMUNWIUKXLJ-HSZRJFAPSA-N 2 1 379.548 3.524 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969928 1037794435 /nfs/dbraw/zinc/79/44/35/1037794435.db2.gz MMBLFNVXPZCGRV-PMPSAXMXSA-N 2 1 386.462 3.649 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969928 1037794454 /nfs/dbraw/zinc/79/44/54/1037794454.db2.gz MMBLFNVXPZCGRV-PMPSAXMXSA-N 2 1 386.462 3.649 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969925 1037794685 /nfs/dbraw/zinc/79/46/85/1037794685.db2.gz MMBLFNVXPZCGRV-BZUAXINKSA-N 2 1 386.462 3.649 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969925 1037794708 /nfs/dbraw/zinc/79/47/08/1037794708.db2.gz MMBLFNVXPZCGRV-BZUAXINKSA-N 2 1 386.462 3.649 20 0 GHADMP Brc1ccc2c(c1)C[N@@H+](C1CCC3(CCC[NH2+]C3)CC1)CCO2 ZINC001246984976 1037809174 /nfs/dbraw/zinc/80/91/74/1037809174.db2.gz IESMTEWTXSQGGK-UHFFFAOYSA-N 2 1 379.342 3.956 20 0 GHADMP CCOC(=O)[C@@H]1C[N@H+]([C@H](C)CCc2ccc(Cl)c(Cl)c2)CCC12C[NH2+]C2 ZINC001247010880 1037833846 /nfs/dbraw/zinc/83/38/46/1037833846.db2.gz WIXULBFOULHMPN-ZBFHGGJFSA-N 2 1 399.362 3.789 20 0 GHADMP CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001232366783 1038142231 /nfs/dbraw/zinc/14/22/31/1038142231.db2.gz PIOHOBNZYYUJKB-JOCHJYFZSA-N 2 1 380.536 3.569 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccn1)CC2 ZINC001232493220 1038268960 /nfs/dbraw/zinc/26/89/60/1038268960.db2.gz CTUZSNDRDNSLGB-SFHVURJKSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccn1)CC2 ZINC001232493220 1038268969 /nfs/dbraw/zinc/26/89/69/1038268969.db2.gz CTUZSNDRDNSLGB-SFHVURJKSA-N 2 1 375.513 3.538 20 0 GHADMP [NH3+][C@@H](Cc1ccc(F)cc1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247648397 1038289274 /nfs/dbraw/zinc/28/92/74/1038289274.db2.gz VRJRSIJGBNTRNE-FUNAXGEOSA-N 2 1 379.439 3.580 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)cc2C(F)(F)F)no1 ZINC001247693696 1038332672 /nfs/dbraw/zinc/33/26/72/1038332672.db2.gz RMJQQZOKEBRPAE-NSHDSACASA-N 2 1 393.207 3.647 20 0 GHADMP CNc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001232666913 1038461472 /nfs/dbraw/zinc/46/14/72/1038461472.db2.gz BHFAFCMBTPNIPM-UPVQGACJSA-N 2 1 383.580 3.689 20 0 GHADMP CNc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232666913 1038461475 /nfs/dbraw/zinc/46/14/75/1038461475.db2.gz BHFAFCMBTPNIPM-UPVQGACJSA-N 2 1 383.580 3.689 20 0 GHADMP CNc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001232666913 1038461478 /nfs/dbraw/zinc/46/14/78/1038461478.db2.gz BHFAFCMBTPNIPM-UPVQGACJSA-N 2 1 383.580 3.689 20 0 GHADMP Fc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(F)c1Cl ZINC001247905727 1038479355 /nfs/dbraw/zinc/47/93/55/1038479355.db2.gz PPUPUXYXROHKSG-NSHDSACASA-N 2 1 382.842 3.600 20 0 GHADMP COc1ccc2c(cccc2-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909191 1038481972 /nfs/dbraw/zinc/48/19/72/1038481972.db2.gz IVHJGVDDDARQPW-UHFFFAOYSA-N 2 1 392.503 3.830 20 0 GHADMP COC(=O)c1cccc2c(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c[nH]c21 ZINC001232710144 1038509516 /nfs/dbraw/zinc/50/95/16/1038509516.db2.gz NAPJDEQQXNOOGI-IRXDYDNUSA-N 2 1 395.528 3.580 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(CCO)cc2)CC3)c1 ZINC001232777069 1038547561 /nfs/dbraw/zinc/54/75/61/1038547561.db2.gz XLCNZLULTDSWOY-UHFFFAOYSA-N 2 1 394.559 3.718 20 0 GHADMP COc1cc(O)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232801061 1038563932 /nfs/dbraw/zinc/56/39/32/1038563932.db2.gz BASNYOFUWKWVEN-OAQYLSRUSA-N 2 1 396.531 3.656 20 0 GHADMP CC[N@@H+](Cc1cccc(OC)c1NC(=O)OC(C)(C)C)C1CCN(C)CC1 ZINC001233127470 1038912941 /nfs/dbraw/zinc/91/29/41/1038912941.db2.gz FTKNUGYFHNXADO-UHFFFAOYSA-N 2 1 377.529 3.958 20 0 GHADMP CCN(Cc1cccc(OC)c1NC(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001233127470 1038912948 /nfs/dbraw/zinc/91/29/48/1038912948.db2.gz FTKNUGYFHNXADO-UHFFFAOYSA-N 2 1 377.529 3.958 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001233394479 1039226583 /nfs/dbraw/zinc/22/65/83/1039226583.db2.gz PPWBHHPAJQOEFQ-UHFFFAOYSA-N 2 1 387.474 3.942 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c(F)ccc(O)c1F)CC2 ZINC001233394479 1039226597 /nfs/dbraw/zinc/22/65/97/1039226597.db2.gz PPWBHHPAJQOEFQ-UHFFFAOYSA-N 2 1 387.474 3.942 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001253023066 1039357143 /nfs/dbraw/zinc/35/71/43/1039357143.db2.gz UAKPHAFKENGJDC-TZIWHRDSSA-N 2 1 377.573 3.542 20 0 GHADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCc3ccc(-c4ccoc4)cc32)CC1 ZINC001253186292 1039466050 /nfs/dbraw/zinc/46/60/50/1039466050.db2.gz NHTHHAGOPKXKBS-JOCHJYFZSA-N 2 1 382.548 3.929 20 0 GHADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001253194664 1039469836 /nfs/dbraw/zinc/46/98/36/1039469836.db2.gz MRYLZUVXTLWVIU-NZQKXSOJSA-N 2 1 384.564 3.831 20 0 GHADMP O[C@@H](CCOCc1ccccc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001253269902 1039515067 /nfs/dbraw/zinc/51/50/67/1039515067.db2.gz DKKHENVLDAHBJA-QHCPKHFHSA-N 2 1 398.547 3.535 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)sc1C ZINC001233676312 1039530910 /nfs/dbraw/zinc/53/09/10/1039530910.db2.gz ZYDOOVKRUKPOAU-URVUXULASA-N 2 1 384.593 3.936 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)sc1C ZINC001233676312 1039530920 /nfs/dbraw/zinc/53/09/20/1039530920.db2.gz ZYDOOVKRUKPOAU-URVUXULASA-N 2 1 384.593 3.936 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)sc1C ZINC001233676312 1039530930 /nfs/dbraw/zinc/53/09/30/1039530930.db2.gz ZYDOOVKRUKPOAU-URVUXULASA-N 2 1 384.593 3.936 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)sc1C ZINC001233676312 1039530940 /nfs/dbraw/zinc/53/09/40/1039530940.db2.gz ZYDOOVKRUKPOAU-URVUXULASA-N 2 1 384.593 3.936 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccncc3Cl)C[C@H]2CC1 ZINC001278729643 1039726989 /nfs/dbraw/zinc/72/69/89/1039726989.db2.gz RNFOYESAROCCEZ-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]2CC1 ZINC001278729643 1039727014 /nfs/dbraw/zinc/72/70/14/1039727014.db2.gz RNFOYESAROCCEZ-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]2CC1 ZINC001278729643 1039727037 /nfs/dbraw/zinc/72/70/37/1039727037.db2.gz RNFOYESAROCCEZ-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001254003800 1039946475 /nfs/dbraw/zinc/94/64/75/1039946475.db2.gz SEZUYLMIMWVIPD-PCCBWWKXSA-N 2 1 390.568 3.552 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001254003800 1039946481 /nfs/dbraw/zinc/94/64/81/1039946481.db2.gz SEZUYLMIMWVIPD-PCCBWWKXSA-N 2 1 390.568 3.552 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001254003800 1039946487 /nfs/dbraw/zinc/94/64/87/1039946487.db2.gz SEZUYLMIMWVIPD-PCCBWWKXSA-N 2 1 390.568 3.552 20 0 GHADMP COc1ccccc1Sc1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001234309241 1039963762 /nfs/dbraw/zinc/96/37/62/1039963762.db2.gz QRMFUAHOLVQGMR-UHFFFAOYSA-N 2 1 385.577 3.526 20 0 GHADMP COc1cccc([C@H]2CC[N@@H+](CC3(O)CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001254039703 1039969990 /nfs/dbraw/zinc/96/99/90/1039969990.db2.gz AYFCRTLRNOUTRR-QFIPXVFZSA-N 2 1 380.532 3.512 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296342 1040146455 /nfs/dbraw/zinc/14/64/55/1040146455.db2.gz QIXXMSJBKUCDDT-QUCCMNQESA-N 2 1 375.557 3.873 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[nH+]1 ZINC001254311563 1040164588 /nfs/dbraw/zinc/16/45/88/1040164588.db2.gz FZQVVUKATJFUFH-GOSISDBHSA-N 2 1 388.556 3.738 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001254520624 1040295545 /nfs/dbraw/zinc/29/55/45/1040295545.db2.gz OUEFWPKELAFISL-HBFSDRIKSA-N 2 1 385.552 3.941 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001254520624 1040295564 /nfs/dbraw/zinc/29/55/64/1040295564.db2.gz OUEFWPKELAFISL-HBFSDRIKSA-N 2 1 385.552 3.941 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001254520624 1040295576 /nfs/dbraw/zinc/29/55/76/1040295576.db2.gz OUEFWPKELAFISL-HBFSDRIKSA-N 2 1 385.552 3.941 20 0 GHADMP CCOC(=O)c1cc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c[nH]1 ZINC001234947418 1040451051 /nfs/dbraw/zinc/45/10/51/1040451051.db2.gz OXXPVABAMAZPNQ-ONTIZHBOSA-N 2 1 381.520 3.802 20 0 GHADMP CCOC(=O)c1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c[nH]1 ZINC001234947418 1040451060 /nfs/dbraw/zinc/45/10/60/1040451060.db2.gz OXXPVABAMAZPNQ-ONTIZHBOSA-N 2 1 381.520 3.802 20 0 GHADMP CCOC(=O)c1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)c[nH]1 ZINC001234947418 1040451075 /nfs/dbraw/zinc/45/10/75/1040451075.db2.gz OXXPVABAMAZPNQ-ONTIZHBOSA-N 2 1 381.520 3.802 20 0 GHADMP CCOC(=O)c1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)c[nH]1 ZINC001234947418 1040451085 /nfs/dbraw/zinc/45/10/85/1040451085.db2.gz OXXPVABAMAZPNQ-ONTIZHBOSA-N 2 1 381.520 3.802 20 0 GHADMP c1[nH]c2c(cccc2OCc2ccccc2)c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235038216 1040532130 /nfs/dbraw/zinc/53/21/30/1040532130.db2.gz UXMYNOVVRZPKHN-AUSIDOKSSA-N 2 1 391.515 3.557 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254796468 1040557137 /nfs/dbraw/zinc/55/71/37/1040557137.db2.gz ZICCFUVNVZFHKU-MOPGFXCFSA-N 2 1 391.600 3.830 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254796468 1040557150 /nfs/dbraw/zinc/55/71/50/1040557150.db2.gz ZICCFUVNVZFHKU-MOPGFXCFSA-N 2 1 391.600 3.830 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254796468 1040557157 /nfs/dbraw/zinc/55/71/57/1040557157.db2.gz ZICCFUVNVZFHKU-MOPGFXCFSA-N 2 1 391.600 3.830 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc(N4CCOCC4)c2)CC3)co1 ZINC001235081177 1040567667 /nfs/dbraw/zinc/56/76/67/1040567667.db2.gz ZPDPQTOAHAJJJV-UHFFFAOYSA-N 2 1 395.547 3.604 20 0 GHADMP FC(F)C(F)(F)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001235096113 1040587722 /nfs/dbraw/zinc/58/77/22/1040587722.db2.gz YSHMGYRUKJYUJM-HNNXBMFYSA-N 2 1 382.348 3.744 20 0 GHADMP FC(F)C(F)(F)Oc1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CCC3(F)F)cc1 ZINC001235096113 1040587733 /nfs/dbraw/zinc/58/77/33/1040587733.db2.gz YSHMGYRUKJYUJM-HNNXBMFYSA-N 2 1 382.348 3.744 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(OC)c1 ZINC001235152585 1040646069 /nfs/dbraw/zinc/64/60/69/1040646069.db2.gz HICCZJHVOGTVNM-SFHVURJKSA-N 2 1 397.357 3.820 20 0 GHADMP Brc1cnc2c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c[nH]c2c1 ZINC001235156395 1040647715 /nfs/dbraw/zinc/64/77/15/1040647715.db2.gz GRQZBMZDCWPWBO-KRWDZBQOSA-N 2 1 377.330 3.680 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235155540 1040649709 /nfs/dbraw/zinc/64/97/09/1040649709.db2.gz LLZPDGZKUDFJQD-KRWDZBQOSA-N 2 1 382.430 3.816 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235155540 1040649727 /nfs/dbraw/zinc/64/97/27/1040649727.db2.gz LLZPDGZKUDFJQD-KRWDZBQOSA-N 2 1 382.430 3.816 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235155540 1040649738 /nfs/dbraw/zinc/64/97/38/1040649738.db2.gz LLZPDGZKUDFJQD-KRWDZBQOSA-N 2 1 382.430 3.816 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([N@@H+](C3CCC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]2C1 ZINC001254898233 1040652901 /nfs/dbraw/zinc/65/29/01/1040652901.db2.gz TYVZXYCWVFDQCC-JEGKRFHTSA-N 2 1 377.573 3.756 20 0 GHADMP COc1ccc(Br)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1F ZINC001235236642 1040716127 /nfs/dbraw/zinc/71/61/27/1040716127.db2.gz GJFPMWFTEIZSNQ-INIZCTEOSA-N 2 1 385.321 3.951 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C4Cc5ccccc5C4)CC3)C2)c1 ZINC001255022088 1040735151 /nfs/dbraw/zinc/73/51/51/1040735151.db2.gz BHQUZZBEYKAOIM-UHFFFAOYSA-N 2 1 392.543 3.529 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C4Cc5ccccc5C4)CC3)C2)c1 ZINC001255022088 1040735157 /nfs/dbraw/zinc/73/51/57/1040735157.db2.gz BHQUZZBEYKAOIM-UHFFFAOYSA-N 2 1 392.543 3.529 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255100407 1040782271 /nfs/dbraw/zinc/78/22/71/1040782271.db2.gz YMKRLFYVHGLYQK-UNMCSNQZSA-N 2 1 391.515 3.521 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255100407 1040782279 /nfs/dbraw/zinc/78/22/79/1040782279.db2.gz YMKRLFYVHGLYQK-UNMCSNQZSA-N 2 1 391.515 3.521 20 0 GHADMP COc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001255104915 1040785007 /nfs/dbraw/zinc/78/50/07/1040785007.db2.gz LQXRECRTZGYGKR-DEOSSOPVSA-N 2 1 393.575 3.566 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255103987 1040786173 /nfs/dbraw/zinc/78/61/73/1040786173.db2.gz AGXZOOACDLAYMT-LUBQAEIYSA-N 2 1 395.550 3.837 20 0 GHADMP COCC[N@@H+](C[C@@H](C)c1cccc(Br)c1)CC1CC[NH+](C)CC1 ZINC001462492525 1070299505 /nfs/dbraw/zinc/29/95/05/1070299505.db2.gz SEMAVRODLZSDQK-MRXNPFEDSA-N 2 1 383.374 3.843 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3sc4scc(C)c4c3C)C[C@@H]1CC[NH2+]CC2 ZINC001235350943 1040826206 /nfs/dbraw/zinc/82/62/06/1040826206.db2.gz BDUZYAMXRUHRRE-YWZLYKJASA-N 2 1 392.590 3.944 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccccc3Oc3ccccc3)C[C@@H]1CC[NH2+]CC2 ZINC001235350190 1040827899 /nfs/dbraw/zinc/82/78/99/1040827899.db2.gz VAXISRWBPOIGCL-RDPSFJRHSA-N 2 1 394.515 3.844 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(c2ccncn2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132956 1040831007 /nfs/dbraw/zinc/83/10/07/1040831007.db2.gz XLCNDTPVTAFCOH-DTUBNOLGSA-N 2 1 391.563 3.749 20 0 GHADMP O[C@]1(C(F)(F)F)CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255136420 1040838829 /nfs/dbraw/zinc/83/88/29/1040838829.db2.gz LACBTGFKUUWRFM-IYWMVGAKSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136420 1040838841 /nfs/dbraw/zinc/83/88/41/1040838841.db2.gz LACBTGFKUUWRFM-IYWMVGAKSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136420 1040838852 /nfs/dbraw/zinc/83/88/52/1040838852.db2.gz LACBTGFKUUWRFM-IYWMVGAKSA-N 2 1 382.470 3.961 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CC[C@@]4(C[C@@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142060 1040850458 /nfs/dbraw/zinc/85/04/58/1040850458.db2.gz FREMXEXHBSDGOS-ZLOLNMDISA-N 2 1 396.575 3.842 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CC[C@@]4(C[C@@H](OCC5CC5)CO4)C2)C3)cc1 ZINC001255142060 1040850467 /nfs/dbraw/zinc/85/04/67/1040850467.db2.gz FREMXEXHBSDGOS-ZLOLNMDISA-N 2 1 396.575 3.842 20 0 GHADMP O=C(C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCC1 ZINC001255145788 1040857724 /nfs/dbraw/zinc/85/77/24/1040857724.db2.gz UWKKFXUXQIOOKR-NUNAXRQHSA-N 2 1 381.564 3.516 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235366816 1040861931 /nfs/dbraw/zinc/86/19/31/1040861931.db2.gz RTXUWQNDLQTCJA-OFNKIYASSA-N 2 1 387.568 3.545 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(-c4cnccn4)cc2)CC3)cc1 ZINC001235368641 1040865001 /nfs/dbraw/zinc/86/50/01/1040865001.db2.gz KFJUDNJMFVPLMM-NOZRDPDXSA-N 2 1 384.527 3.897 20 0 GHADMP Cc1cc(N2CCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc[nH+]1 ZINC001255150579 1040866508 /nfs/dbraw/zinc/86/65/08/1040866508.db2.gz NSLIRPQQJNCACN-UBRQYEGLSA-N 2 1 376.548 3.708 20 0 GHADMP Brc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c2ccccc12 ZINC001235371440 1040875955 /nfs/dbraw/zinc/87/59/55/1040875955.db2.gz ZSJLIVJJIYRFPF-RZQQEMMASA-N 2 1 387.321 3.555 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235371784 1040877459 /nfs/dbraw/zinc/87/74/59/1040877459.db2.gz SBPGKFTYLXEWGE-ILBGXUMGSA-N 2 1 391.559 3.578 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235371790 1040877857 /nfs/dbraw/zinc/87/78/57/1040877857.db2.gz SBPGKFTYLXEWGE-UKILVPOCSA-N 2 1 391.559 3.578 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(C)c1 ZINC001235372807 1040880780 /nfs/dbraw/zinc/88/07/80/1040880780.db2.gz VEBYQLBMESSPKF-ISKFKSNPSA-N 2 1 377.532 3.707 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC001255187263 1040893863 /nfs/dbraw/zinc/89/38/63/1040893863.db2.gz CCSVNMSLUXRPSP-JIKXHTODSA-N 2 1 397.563 3.639 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(OCc2ccccc2)c1 ZINC001235378347 1040896355 /nfs/dbraw/zinc/89/63/55/1040896355.db2.gz GOCPNNGHEQCHLM-CQOQZXRMSA-N 2 1 378.516 3.527 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235379317 1040898722 /nfs/dbraw/zinc/89/87/22/1040898722.db2.gz NYPRBYPURZBCSY-CAOCKLPOSA-N 2 1 375.560 3.588 20 0 GHADMP CCOc1cc(O)cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1 ZINC001235391489 1040907546 /nfs/dbraw/zinc/90/75/46/1040907546.db2.gz DOFWXJBPAJGTMC-UHFFFAOYSA-N 2 1 377.488 3.970 20 0 GHADMP CCOc1cc(O)cc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398719 1040912188 /nfs/dbraw/zinc/91/21/88/1040912188.db2.gz TZOKOTMZBMFWQY-IGKWTDBASA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398719 1040912192 /nfs/dbraw/zinc/91/21/92/1040912192.db2.gz TZOKOTMZBMFWQY-IGKWTDBASA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(O)cc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)c1 ZINC001235398719 1040912193 /nfs/dbraw/zinc/91/21/93/1040912193.db2.gz TZOKOTMZBMFWQY-IGKWTDBASA-N 2 1 395.547 3.918 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001255228510 1040917020 /nfs/dbraw/zinc/91/70/20/1040917020.db2.gz HUSGSERQVITZEW-CCQCEHTISA-N 2 1 377.573 3.899 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410119 1040920773 /nfs/dbraw/zinc/92/07/73/1040920773.db2.gz XTOCCJQZWYZFRJ-JTHBVZDNSA-N 2 1 378.495 3.833 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235410119 1040920775 /nfs/dbraw/zinc/92/07/75/1040920775.db2.gz XTOCCJQZWYZFRJ-JTHBVZDNSA-N 2 1 378.495 3.833 20 0 GHADMP Ic1csc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235424336 1040926813 /nfs/dbraw/zinc/92/68/13/1040926813.db2.gz GYKMIXUYAILDFP-STQMWFEESA-N 2 1 390.334 3.564 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424750 1040926891 /nfs/dbraw/zinc/92/68/91/1040926891.db2.gz IGTOVEVMRDZBAY-ZIAGYGMSSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235424750 1040926893 /nfs/dbraw/zinc/92/68/93/1040926893.db2.gz IGTOVEVMRDZBAY-ZIAGYGMSSA-N 2 1 385.321 3.808 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428824 1040929778 /nfs/dbraw/zinc/92/97/78/1040929778.db2.gz RIXCUBWYFDQNCT-KBPBESRZSA-N 2 1 385.321 3.808 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428824 1040929781 /nfs/dbraw/zinc/92/97/81/1040929781.db2.gz RIXCUBWYFDQNCT-KBPBESRZSA-N 2 1 385.321 3.808 20 0 GHADMP Nc1cc(Cl)c(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430779 1040932536 /nfs/dbraw/zinc/93/25/36/1040932536.db2.gz XVNBICFGKAZDFC-QWHCGFSZSA-N 2 1 386.765 3.896 20 0 GHADMP C[N@H+](Cc1cc(Br)cc(Br)c1F)CC1CC[NH2+]CC1 ZINC001235432578 1040933425 /nfs/dbraw/zinc/93/34/25/1040933425.db2.gz LLFQYIOANLANHR-UHFFFAOYSA-N 2 1 394.126 3.782 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381072 1040972076 /nfs/dbraw/zinc/97/20/76/1040972076.db2.gz OYRQSRMPBRYFAC-MZKRTTBSSA-N 2 1 385.552 3.640 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC001255381943 1040973169 /nfs/dbraw/zinc/97/31/69/1040973169.db2.gz ABKAYQCJACPMLR-RUZDIDTESA-N 2 1 393.575 3.663 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389039 1040976770 /nfs/dbraw/zinc/97/67/70/1040976770.db2.gz JANKZGCRSZKMGL-UYAOXDASSA-N 2 1 375.557 3.934 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](NC3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255391094 1040979282 /nfs/dbraw/zinc/97/92/82/1040979282.db2.gz NRIWRCUBTNKNMD-QHCPKHFHSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255391094 1040979288 /nfs/dbraw/zinc/97/92/88/1040979288.db2.gz NRIWRCUBTNKNMD-QHCPKHFHSA-N 3 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255391094 1040979292 /nfs/dbraw/zinc/97/92/92/1040979292.db2.gz NRIWRCUBTNKNMD-QHCPKHFHSA-N 3 1 385.596 3.522 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](CC2CC4(C2)CC[NH2+]CC4)C3)c1 ZINC001235548687 1040982679 /nfs/dbraw/zinc/98/26/79/1040982679.db2.gz XOAVYOZLTNUGGF-VWNXMTODSA-N 2 1 383.580 3.789 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CCC[NH+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400763 1040986406 /nfs/dbraw/zinc/98/64/06/1040986406.db2.gz NQOZKOBOWBHOMO-NRFANRHFSA-N 3 1 395.595 3.596 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400763 1040986409 /nfs/dbraw/zinc/98/64/09/1040986409.db2.gz NQOZKOBOWBHOMO-NRFANRHFSA-N 3 1 395.595 3.596 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400763 1040986413 /nfs/dbraw/zinc/98/64/13/1040986413.db2.gz NQOZKOBOWBHOMO-NRFANRHFSA-N 3 1 395.595 3.596 20 0 GHADMP CC(C)N(C)Cc1nn([C@H]2CCC[N@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400763 1040986421 /nfs/dbraw/zinc/98/64/21/1040986421.db2.gz NQOZKOBOWBHOMO-NRFANRHFSA-N 2 1 395.595 3.596 20 0 GHADMP CC(C)N(C)Cc1nn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001255400763 1040986422 /nfs/dbraw/zinc/98/64/22/1040986422.db2.gz NQOZKOBOWBHOMO-NRFANRHFSA-N 2 1 395.595 3.596 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@H]21 ZINC001235560345 1040988666 /nfs/dbraw/zinc/98/86/66/1040988666.db2.gz QPXUBSGXFNRUBE-VQPPSCEASA-N 2 1 395.576 3.939 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3n[nH]c4cc(N)ccc43)C[C@H]21 ZINC001235560345 1040988667 /nfs/dbraw/zinc/98/86/67/1040988667.db2.gz QPXUBSGXFNRUBE-VQPPSCEASA-N 2 1 395.576 3.939 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3n[nH]c4cc(N)ccc43)C[C@H]21 ZINC001235560345 1040988673 /nfs/dbraw/zinc/98/86/73/1040988673.db2.gz QPXUBSGXFNRUBE-VQPPSCEASA-N 2 1 395.576 3.939 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3n[nH]c4cc(N)ccc43)C[C@H]21 ZINC001235560345 1040988680 /nfs/dbraw/zinc/98/86/80/1040988680.db2.gz QPXUBSGXFNRUBE-VQPPSCEASA-N 2 1 395.576 3.939 20 0 GHADMP COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255404566 1040991779 /nfs/dbraw/zinc/99/17/79/1040991779.db2.gz KKHAZISTMAMWHN-QHCPKHFHSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255404566 1040991780 /nfs/dbraw/zinc/99/17/80/1040991780.db2.gz KKHAZISTMAMWHN-QHCPKHFHSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)C[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255404566 1040991782 /nfs/dbraw/zinc/99/17/82/1040991782.db2.gz KKHAZISTMAMWHN-QHCPKHFHSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)C[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255404566 1040991785 /nfs/dbraw/zinc/99/17/85/1040991785.db2.gz KKHAZISTMAMWHN-QHCPKHFHSA-N 2 1 378.516 3.886 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255405375 1040993240 /nfs/dbraw/zinc/99/32/40/1040993240.db2.gz WLTGTCCLRHPQCW-ZEQRLZLVSA-N 2 1 383.580 3.908 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255405375 1040993241 /nfs/dbraw/zinc/99/32/41/1040993241.db2.gz WLTGTCCLRHPQCW-ZEQRLZLVSA-N 2 1 383.580 3.908 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255405375 1040993243 /nfs/dbraw/zinc/99/32/43/1040993243.db2.gz WLTGTCCLRHPQCW-ZEQRLZLVSA-N 2 1 383.580 3.908 20 0 GHADMP N[C@H](Cc1ccccc1)C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001235573427 1040994523 /nfs/dbraw/zinc/99/45/23/1040994523.db2.gz AEAXVHUFAFRLJY-OAQYLSRUSA-N 2 1 383.605 3.996 20 0 GHADMP Cc1ccnc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1Cl ZINC001235584204 1040998106 /nfs/dbraw/zinc/99/81/06/1040998106.db2.gz XQXPQXXQFUZJBR-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP Cc1ccnc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1Cl ZINC001235584204 1040998107 /nfs/dbraw/zinc/99/81/07/1040998107.db2.gz XQXPQXXQFUZJBR-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255410525 1041003332 /nfs/dbraw/zinc/00/33/32/1041003332.db2.gz YNNMRAUGKKKXLI-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CCC[NH2+]C3CCCCC3)C[C@@H]12 ZINC001235608926 1041024632 /nfs/dbraw/zinc/02/46/32/1041024632.db2.gz JLHMMBJRGYUJLO-DNQXCXABSA-N 2 1 383.580 3.563 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]12 ZINC001235608926 1041024654 /nfs/dbraw/zinc/02/46/54/1041024654.db2.gz JLHMMBJRGYUJLO-DNQXCXABSA-N 2 1 383.580 3.563 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)C1=O ZINC001235632236 1041062419 /nfs/dbraw/zinc/06/24/19/1041062419.db2.gz KIGHOXQLCUCCJG-HSZRJFAPSA-N 2 1 395.572 3.540 20 0 GHADMP C[N@@H+](Cc1cccs1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235691763 1041164370 /nfs/dbraw/zinc/16/43/70/1041164370.db2.gz RPYGFHGTIRMYLI-UHFFFAOYSA-N 2 1 380.355 3.552 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CC3)OCCO4)C[C@H]21 ZINC001255625346 1041177851 /nfs/dbraw/zinc/17/78/51/1041177851.db2.gz QRJBNYIMTZFUSP-DUXKGJEZSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC4(CC3)OCCO4)C[C@H]21 ZINC001255625346 1041177864 /nfs/dbraw/zinc/17/78/64/1041177864.db2.gz QRJBNYIMTZFUSP-DUXKGJEZSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CC3)OCCO4)C[C@H]21 ZINC001255625346 1041177868 /nfs/dbraw/zinc/17/78/68/1041177868.db2.gz QRJBNYIMTZFUSP-DUXKGJEZSA-N 2 1 390.593 3.966 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702572 1041182340 /nfs/dbraw/zinc/18/23/40/1041182340.db2.gz MTVCLZDEJUXHAW-UHFFFAOYSA-N 2 1 396.373 3.843 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@@H](C)CC(F)(F)F)CC2 ZINC001255649558 1041189564 /nfs/dbraw/zinc/18/95/64/1041189564.db2.gz BVVFFQNNSZULNU-WMZOPIPTSA-N 2 1 392.506 3.557 20 0 GHADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc(Br)ccc1OC(F)F ZINC001235717058 1041198477 /nfs/dbraw/zinc/19/84/77/1041198477.db2.gz CCDWCTXMBOCVQC-UHFFFAOYSA-N 2 1 377.273 3.872 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661351 1041199662 /nfs/dbraw/zinc/19/96/62/1041199662.db2.gz AHFKZCKPNDXNCB-MJIXASBWSA-N 2 1 379.589 3.875 20 0 GHADMP COCCN(C)[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001255677909 1041210358 /nfs/dbraw/zinc/21/03/58/1041210358.db2.gz ZUYXDLQMLXUAAH-OTYNDTSQSA-N 2 1 379.976 3.564 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716566 1041243437 /nfs/dbraw/zinc/24/34/37/1041243437.db2.gz NIWZFAMOUKQAGB-BCYZHJNNSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716566 1041243449 /nfs/dbraw/zinc/24/34/49/1041243449.db2.gz NIWZFAMOUKQAGB-BCYZHJNNSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716566 1041243457 /nfs/dbraw/zinc/24/34/57/1041243457.db2.gz NIWZFAMOUKQAGB-BCYZHJNNSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716566 1041243468 /nfs/dbraw/zinc/24/34/68/1041243468.db2.gz NIWZFAMOUKQAGB-BCYZHJNNSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235833531 1041358112 /nfs/dbraw/zinc/35/81/12/1041358112.db2.gz GKFUPATVIUCMII-VWPQPMDRSA-N 2 1 383.580 3.628 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001255871070 1041361789 /nfs/dbraw/zinc/36/17/89/1041361789.db2.gz KNSTYGMVMXSMTR-ZKZIVCHGSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001255871070 1041361796 /nfs/dbraw/zinc/36/17/96/1041361796.db2.gz KNSTYGMVMXSMTR-ZKZIVCHGSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001255871070 1041361806 /nfs/dbraw/zinc/36/18/06/1041361806.db2.gz KNSTYGMVMXSMTR-ZKZIVCHGSA-N 2 1 396.554 3.828 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001255872339 1041366538 /nfs/dbraw/zinc/36/65/38/1041366538.db2.gz HSMRDNFFORDJOZ-FQEVSTJZSA-N 2 1 397.538 3.766 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001255873374 1041368088 /nfs/dbraw/zinc/36/80/88/1041368088.db2.gz PETVMCIIWIFKAD-HXUWFJFHSA-N 2 1 397.538 3.766 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001255914326 1041396231 /nfs/dbraw/zinc/39/62/31/1041396231.db2.gz YDEIUMQWKXOBOA-LJQANCHMSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001255914326 1041396250 /nfs/dbraw/zinc/39/62/50/1041396250.db2.gz YDEIUMQWKXOBOA-LJQANCHMSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)c1cc(F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC001235887911 1041413331 /nfs/dbraw/zinc/41/33/31/1041413331.db2.gz JUYPOMKBACLHBW-LJQANCHMSA-N 2 1 380.479 3.884 20 0 GHADMP CCC(CC)[N@@H+]1CC[C@H](NC2CC[NH+](Cc3c(OC)cccc3OC)CC2)C1 ZINC001255929064 1041417919 /nfs/dbraw/zinc/41/79/19/1041417919.db2.gz IFZBEHAJGQBXTC-IBGZPJMESA-N 2 1 389.584 3.521 20 0 GHADMP CCC(CC)[N@H+]1CC[C@H](NC2CC[NH+](Cc3c(OC)cccc3OC)CC2)C1 ZINC001255929064 1041417923 /nfs/dbraw/zinc/41/79/23/1041417923.db2.gz IFZBEHAJGQBXTC-IBGZPJMESA-N 2 1 389.584 3.521 20 0 GHADMP COc1cccc(OC)c1CN1CCC([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001255930354 1041418764 /nfs/dbraw/zinc/41/87/64/1041418764.db2.gz RVQVQSUTCXGJDW-IBGZPJMESA-N 2 1 389.584 3.509 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001255960199 1041438257 /nfs/dbraw/zinc/43/82/57/1041438257.db2.gz FTXGPQPIVOZIET-DWLFOUALSA-N 2 1 393.547 3.591 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001255960199 1041438265 /nfs/dbraw/zinc/43/82/65/1041438265.db2.gz FTXGPQPIVOZIET-DWLFOUALSA-N 2 1 393.547 3.591 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975446 1041479699 /nfs/dbraw/zinc/47/96/99/1041479699.db2.gz WJEXYZBTCCGKKD-UHFFFAOYSA-N 3 1 396.604 3.556 20 0 GHADMP Nc1c(Br)cccc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977564 1041482615 /nfs/dbraw/zinc/48/26/15/1041482615.db2.gz MMKPZVBTYGLDKP-UHFFFAOYSA-N 2 1 386.337 3.668 20 0 GHADMP Nc1c(Br)cccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235977564 1041482619 /nfs/dbraw/zinc/48/26/19/1041482619.db2.gz MMKPZVBTYGLDKP-UHFFFAOYSA-N 2 1 386.337 3.668 20 0 GHADMP CCOC(=O)N1CC[C@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256045555 1041493530 /nfs/dbraw/zinc/49/35/30/1041493530.db2.gz NHLVAJCBYDGPQO-NRFANRHFSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CC[C@@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256045556 1041493686 /nfs/dbraw/zinc/49/36/86/1041493686.db2.gz NHLVAJCBYDGPQO-OAQYLSRUSA-N 2 1 385.552 3.595 20 0 GHADMP O=c1[nH]c2ccccc2c(Cl)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236009917 1041501237 /nfs/dbraw/zinc/50/12/37/1041501237.db2.gz HUFKHPRVKRFPAS-ZHRRBRCNSA-N 2 1 379.891 3.567 20 0 GHADMP O=c1[nH]c2ccccc2c(Cl)c1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236009917 1041501243 /nfs/dbraw/zinc/50/12/43/1041501243.db2.gz HUFKHPRVKRFPAS-ZHRRBRCNSA-N 2 1 379.891 3.567 20 0 GHADMP Brc1ccc2c(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)c[nH]c2c1 ZINC001236010327 1041501510 /nfs/dbraw/zinc/50/15/10/1041501510.db2.gz SNMGHSHGPQKCQW-UTKZUKDTSA-N 2 1 396.332 3.903 20 0 GHADMP Cc1cc(C[N@H+](Cc2ccccc2)Cc2cccc(N3CC[NH2+]CC3)c2)on1 ZINC001236072281 1041522741 /nfs/dbraw/zinc/52/27/41/1041522741.db2.gz QYJIRZSRNXTDLL-UHFFFAOYSA-N 2 1 376.504 3.595 20 0 GHADMP Cc1cc(C[N@@H+](Cc2ccccc2)Cc2cccc(N3CC[NH2+]CC3)c2)on1 ZINC001236072281 1041522745 /nfs/dbraw/zinc/52/27/45/1041522745.db2.gz QYJIRZSRNXTDLL-UHFFFAOYSA-N 2 1 376.504 3.595 20 0 GHADMP CC(C)Oc1c(Cl)cc(CN2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)cc1Cl ZINC001236080124 1041524453 /nfs/dbraw/zinc/52/44/53/1041524453.db2.gz QXQCYJKVMYLODT-MRXNPFEDSA-N 2 1 386.367 3.636 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)ccc21 ZINC001236080035 1041524831 /nfs/dbraw/zinc/52/48/31/1041524831.db2.gz PVOVMLQCJCXVAQ-HXUWFJFHSA-N 2 1 376.548 3.669 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001236093222 1041531112 /nfs/dbraw/zinc/53/11/12/1041531112.db2.gz SUKVUOVYJBMOBY-OAQYLSRUSA-N 2 1 379.548 3.560 20 0 GHADMP CCN(CC)C(=O)c1cc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)ccc1Cl ZINC001236139064 1041563723 /nfs/dbraw/zinc/56/37/23/1041563723.db2.gz HTAZYIGHZPBKNW-UHFFFAOYSA-N 2 1 382.895 3.824 20 0 GHADMP CCOC(=O)COc1ccccc1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236228560 1041634045 /nfs/dbraw/zinc/63/40/45/1041634045.db2.gz XQSGSIGHXZFLDP-UHFFFAOYSA-N 2 1 396.531 3.901 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001236235934 1041637826 /nfs/dbraw/zinc/63/78/26/1041637826.db2.gz HCTVGRXDKZUQAP-NYVOZVTQSA-N 2 1 399.579 3.571 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)C[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001236244347 1041641068 /nfs/dbraw/zinc/64/10/68/1041641068.db2.gz KGYAANZYQNPSEO-UHFFFAOYSA-N 2 1 391.437 3.553 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001256225286 1041660531 /nfs/dbraw/zinc/66/05/31/1041660531.db2.gz TZYXAOVPUOKTOB-OAHLLOKOSA-N 2 1 394.357 3.900 20 0 GHADMP CC1(C[N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001236314347 1041667607 /nfs/dbraw/zinc/66/76/07/1041667607.db2.gz LEFBNMAQYNXKHU-HSZRJFAPSA-N 2 1 391.559 3.679 20 0 GHADMP CC(C)=CCC[C@@H](C)CC[N@@H+](CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236386232 1041693415 /nfs/dbraw/zinc/69/34/15/1041693415.db2.gz OUWABPAUWIXOPO-JOCHJYFZSA-N 2 1 379.633 3.783 20 0 GHADMP Fc1cccc2c(C[N@@H+](CCCN3CCOCC3)CC3CC[NH2+]CC3)cccc12 ZINC001236388806 1041694462 /nfs/dbraw/zinc/69/44/62/1041694462.db2.gz PAKPVAMMQRBQAU-UHFFFAOYSA-N 2 1 399.554 3.503 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)c2c1 ZINC001236406764 1041703556 /nfs/dbraw/zinc/70/35/56/1041703556.db2.gz IUDHCGAWERLEKJ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)c2c1 ZINC001236406764 1041703564 /nfs/dbraw/zinc/70/35/64/1041703564.db2.gz IUDHCGAWERLEKJ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP CCOc1ccc(C[N@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236465807 1041727554 /nfs/dbraw/zinc/72/75/54/1041727554.db2.gz UQLWLTCQBNHYID-UHFFFAOYSA-N 2 1 382.504 3.626 20 0 GHADMP CCOc1ccc(C[N@@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236465807 1041727561 /nfs/dbraw/zinc/72/75/61/1041727561.db2.gz UQLWLTCQBNHYID-UHFFFAOYSA-N 2 1 382.504 3.626 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001236533490 1041754700 /nfs/dbraw/zinc/75/47/00/1041754700.db2.gz TYEDRKUDRLXDAU-SFHVURJKSA-N 2 1 386.565 3.665 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C2CC2)c1C ZINC001236535099 1041755758 /nfs/dbraw/zinc/75/57/58/1041755758.db2.gz RHFMINGOZJPVQU-UHFFFAOYSA-N 2 1 389.547 3.978 20 0 GHADMP CCOc1cc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236551329 1041759238 /nfs/dbraw/zinc/75/92/38/1041759238.db2.gz OMESOMDWVXYQAS-WKILWMFISA-N 2 1 382.346 3.725 20 0 GHADMP CC[NH+](CC)Cc1ccc(C)c(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC001236560411 1041763196 /nfs/dbraw/zinc/76/31/96/1041763196.db2.gz LOYUWRGJIRLVEA-UHFFFAOYSA-N 2 1 379.548 3.891 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2I)C2CCC2)CC1 ZINC001236572489 1041766915 /nfs/dbraw/zinc/76/69/15/1041766915.db2.gz QFHOVJSTLVMVEI-KOMQPUFPSA-N 2 1 384.305 3.916 20 0 GHADMP CN(c1ccc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cc1)c1ccccc1F ZINC001236622854 1041788368 /nfs/dbraw/zinc/78/83/68/1041788368.db2.gz PXEGQLSUHCXJGV-OAQYLSRUSA-N 2 1 382.527 3.591 20 0 GHADMP CCOc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001236693838 1041835749 /nfs/dbraw/zinc/83/57/49/1041835749.db2.gz DMJFAWYHGBNBKK-LEWJYISDSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001236693838 1041835753 /nfs/dbraw/zinc/83/57/53/1041835753.db2.gz DMJFAWYHGBNBKK-LEWJYISDSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001236693838 1041835757 /nfs/dbraw/zinc/83/57/57/1041835757.db2.gz DMJFAWYHGBNBKK-LEWJYISDSA-N 2 1 383.511 3.963 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236699582 1041839739 /nfs/dbraw/zinc/83/97/39/1041839739.db2.gz BWBJETZLMDBSKF-MEMLXQNLSA-N 2 1 382.504 3.754 20 0 GHADMP COc1ccccc1C[N@@H+](CCOC(=O)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236701979 1041842284 /nfs/dbraw/zinc/84/22/84/1041842284.db2.gz VARVNPDODFIPMN-MEMLXQNLSA-N 2 1 382.504 3.624 20 0 GHADMP COc1ccccc1C[N@H+](Cc1cc(O)c(F)c(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236712040 1041849114 /nfs/dbraw/zinc/84/91/14/1041849114.db2.gz ZQQHJKIHMQURNL-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cc(O)c(F)c(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236712040 1041849115 /nfs/dbraw/zinc/84/91/15/1041849115.db2.gz ZQQHJKIHMQURNL-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001236743316 1041869682 /nfs/dbraw/zinc/86/96/82/1041869682.db2.gz XYAAAOAVENDQJG-MEMLXQNLSA-N 2 1 379.483 3.679 20 0 GHADMP Cn1ncc(Br)c1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236753892 1041873355 /nfs/dbraw/zinc/87/33/55/1041873355.db2.gz ARHKXCZYQOPEGG-WKILWMFISA-N 2 1 383.378 3.835 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001236794000 1041897717 /nfs/dbraw/zinc/89/77/17/1041897717.db2.gz VNZHZBBUSMCPEA-RTWAWAEBSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001236794000 1041897722 /nfs/dbraw/zinc/89/77/22/1041897722.db2.gz VNZHZBBUSMCPEA-RTWAWAEBSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001236793995 1041898102 /nfs/dbraw/zinc/89/81/02/1041898102.db2.gz VNZHZBBUSMCPEA-LEWJYISDSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001236793995 1041898108 /nfs/dbraw/zinc/89/81/08/1041898108.db2.gz VNZHZBBUSMCPEA-LEWJYISDSA-N 2 1 396.506 3.956 20 0 GHADMP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001236852973 1041929035 /nfs/dbraw/zinc/92/90/35/1041929035.db2.gz HFMIZVRYRZODAW-WOJBJXKFSA-N 2 1 389.971 3.556 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001236951705 1041968617 /nfs/dbraw/zinc/96/86/17/1041968617.db2.gz ZWEQYMCFEYAPIV-GOSISDBHSA-N 2 1 375.513 3.711 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC4(Cc5ccccc5O4)CC3)ccc2F)CC1 ZINC001236971669 1041973708 /nfs/dbraw/zinc/97/37/08/1041973708.db2.gz IYEZCXKTIKGSLB-UHFFFAOYSA-N 2 1 395.522 3.547 20 0 GHADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001237188920 1042085511 /nfs/dbraw/zinc/08/55/11/1042085511.db2.gz SCTKFRWBRLOTDS-RUZDIDTESA-N 2 1 393.550 3.711 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237256738 1042110068 /nfs/dbraw/zinc/11/00/68/1042110068.db2.gz ARFDDHSHJFPOGK-XOKHGSTOSA-N 2 1 387.312 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237256738 1042110069 /nfs/dbraw/zinc/11/00/69/1042110069.db2.gz ARFDDHSHJFPOGK-XOKHGSTOSA-N 2 1 387.312 3.947 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001237256738 1042110074 /nfs/dbraw/zinc/11/00/74/1042110074.db2.gz ARFDDHSHJFPOGK-XOKHGSTOSA-N 2 1 387.312 3.947 20 0 GHADMP C[NH+]1CCC(C2CC[NH+](Cc3[nH]nc4c3cccc4Br)CC2)CC1 ZINC001237297082 1042129913 /nfs/dbraw/zinc/12/99/13/1042129913.db2.gz CFXLNDYQKWVYQJ-UHFFFAOYSA-N 2 1 391.357 3.879 20 0 GHADMP Fc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c2ncccc12 ZINC001237425550 1042202011 /nfs/dbraw/zinc/20/20/11/1042202011.db2.gz FBSRKLQQMZJZRT-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP Fc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c2ncccc12 ZINC001237425550 1042202014 /nfs/dbraw/zinc/20/20/14/1042202014.db2.gz FBSRKLQQMZJZRT-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP Fc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c2ncccc12 ZINC001237425550 1042202016 /nfs/dbraw/zinc/20/20/16/1042202016.db2.gz FBSRKLQQMZJZRT-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP Fc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c2ncccc12 ZINC001237425550 1042202017 /nfs/dbraw/zinc/20/20/17/1042202017.db2.gz FBSRKLQQMZJZRT-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP Fc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c2ncccc12 ZINC001237425550 1042202018 /nfs/dbraw/zinc/20/20/18/1042202018.db2.gz FBSRKLQQMZJZRT-QUCCMNQESA-N 2 1 376.479 3.723 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCC12C[NH2+]C2 ZINC001237429173 1042204762 /nfs/dbraw/zinc/20/47/62/1042204762.db2.gz DNVJSINCTISQJH-OAQYLSRUSA-N 2 1 398.934 3.982 20 0 GHADMP CC(C)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001237457842 1042216454 /nfs/dbraw/zinc/21/64/54/1042216454.db2.gz FQUPGEXMIPWJDO-DNQXCXABSA-N 2 1 385.596 3.571 20 0 GHADMP CC(C)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001237457842 1042216458 /nfs/dbraw/zinc/21/64/58/1042216458.db2.gz FQUPGEXMIPWJDO-DNQXCXABSA-N 2 1 385.596 3.571 20 0 GHADMP CC(C)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001237457842 1042216462 /nfs/dbraw/zinc/21/64/62/1042216462.db2.gz FQUPGEXMIPWJDO-DNQXCXABSA-N 2 1 385.596 3.571 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237539863 1042256962 /nfs/dbraw/zinc/25/69/62/1042256962.db2.gz WUVMPTNWYGBVCI-HSZRJFAPSA-N 2 1 390.531 3.590 20 0 GHADMP COc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001237707453 1042334747 /nfs/dbraw/zinc/33/47/47/1042334747.db2.gz HTKVDNKPWLXFEQ-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001237707453 1042334758 /nfs/dbraw/zinc/33/47/58/1042334758.db2.gz HTKVDNKPWLXFEQ-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001237707453 1042334765 /nfs/dbraw/zinc/33/47/65/1042334765.db2.gz HTKVDNKPWLXFEQ-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001237707453 1042334771 /nfs/dbraw/zinc/33/47/71/1042334771.db2.gz HTKVDNKPWLXFEQ-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001237709708 1042337281 /nfs/dbraw/zinc/33/72/81/1042337281.db2.gz XULMJUDREHZPSU-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCN(Cc4ccncc4)CC3)cc21 ZINC001237880948 1042407451 /nfs/dbraw/zinc/40/74/51/1042407451.db2.gz KOMFOFZTDNVUJZ-UHFFFAOYSA-N 2 1 376.548 3.791 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccsc4C)CC3)C2)c1 ZINC001237966985 1042440012 /nfs/dbraw/zinc/44/00/12/1042440012.db2.gz QAVCRQCGMPZCNG-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccsc4C)CC3)C2)c1 ZINC001237966985 1042440015 /nfs/dbraw/zinc/44/00/15/1042440015.db2.gz QAVCRQCGMPZCNG-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC3(CCNC(=O)O3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462630559 1070429114 /nfs/dbraw/zinc/42/91/14/1070429114.db2.gz FHTUKGCLEDUSNZ-HSZRJFAPSA-N 2 1 399.579 3.889 20 0 GHADMP Cc1cnc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)c1 ZINC001238429192 1042593809 /nfs/dbraw/zinc/59/38/09/1042593809.db2.gz KPDZUTVDOKUBAD-VWNXMTODSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cnc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(C)c1 ZINC001238429192 1042593811 /nfs/dbraw/zinc/59/38/11/1042593811.db2.gz KPDZUTVDOKUBAD-VWNXMTODSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cnc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(C)c1 ZINC001238429192 1042593814 /nfs/dbraw/zinc/59/38/14/1042593814.db2.gz KPDZUTVDOKUBAD-VWNXMTODSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cnc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)c1 ZINC001238429192 1042593818 /nfs/dbraw/zinc/59/38/18/1042593818.db2.gz KPDZUTVDOKUBAD-VWNXMTODSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cnc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)c1 ZINC001238429192 1042593820 /nfs/dbraw/zinc/59/38/20/1042593820.db2.gz KPDZUTVDOKUBAD-VWNXMTODSA-N 2 1 383.580 3.659 20 0 GHADMP CSc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001238684734 1042683902 /nfs/dbraw/zinc/68/39/02/1042683902.db2.gz XXBAHKBJIHMHRB-URVUXULASA-N 2 1 399.608 3.682 20 0 GHADMP CSc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)c1 ZINC001238684734 1042683906 /nfs/dbraw/zinc/68/39/06/1042683906.db2.gz XXBAHKBJIHMHRB-URVUXULASA-N 2 1 399.608 3.682 20 0 GHADMP CSc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)c1 ZINC001238684734 1042683908 /nfs/dbraw/zinc/68/39/08/1042683908.db2.gz XXBAHKBJIHMHRB-URVUXULASA-N 2 1 399.608 3.682 20 0 GHADMP CSc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)c1 ZINC001238684734 1042683911 /nfs/dbraw/zinc/68/39/11/1042683911.db2.gz XXBAHKBJIHMHRB-URVUXULASA-N 2 1 399.608 3.682 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256524996 1043451416 /nfs/dbraw/zinc/45/14/16/1043451416.db2.gz XTGPZJBKHXMGOI-BLCKVISQSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256524996 1043451436 /nfs/dbraw/zinc/45/14/36/1043451436.db2.gz XTGPZJBKHXMGOI-BLCKVISQSA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256528339 1043458997 /nfs/dbraw/zinc/45/89/97/1043458997.db2.gz ZVDPZFBIRVWRQZ-IWTFSIHTSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256528339 1043459009 /nfs/dbraw/zinc/45/90/09/1043459009.db2.gz ZVDPZFBIRVWRQZ-IWTFSIHTSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C23CC(NC(=O)OC(C)(C)C)(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256536999 1043481517 /nfs/dbraw/zinc/48/15/17/1043481517.db2.gz KKPGQFDOJSGUGK-POEPRGHXSA-N 2 1 385.552 3.829 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C23CC(NC(=O)OC(C)(C)C)(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536999 1043481532 /nfs/dbraw/zinc/48/15/32/1043481532.db2.gz KKPGQFDOJSGUGK-POEPRGHXSA-N 2 1 385.552 3.829 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541156 1043489686 /nfs/dbraw/zinc/48/96/86/1043489686.db2.gz KYZDZWIZFDRAGP-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256541156 1043489695 /nfs/dbraw/zinc/48/96/95/1043489695.db2.gz KYZDZWIZFDRAGP-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256541156 1043489710 /nfs/dbraw/zinc/48/97/10/1043489710.db2.gz KYZDZWIZFDRAGP-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256541156 1043489725 /nfs/dbraw/zinc/48/97/25/1043489725.db2.gz KYZDZWIZFDRAGP-UVUJQTEASA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541684 1043494088 /nfs/dbraw/zinc/49/40/88/1043494088.db2.gz MPBPBUFEFCPZIU-TZIWHRDSSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541684 1043494094 /nfs/dbraw/zinc/49/40/94/1043494094.db2.gz MPBPBUFEFCPZIU-TZIWHRDSSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541684 1043494112 /nfs/dbraw/zinc/49/41/12/1043494112.db2.gz MPBPBUFEFCPZIU-TZIWHRDSSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541684 1043494126 /nfs/dbraw/zinc/49/41/26/1043494126.db2.gz MPBPBUFEFCPZIU-TZIWHRDSSA-N 2 1 399.579 3.982 20 0 GHADMP CC[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256552907 1043518107 /nfs/dbraw/zinc/51/81/07/1043518107.db2.gz CZTUUGRTJKLPAH-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001256552907 1043518117 /nfs/dbraw/zinc/51/81/17/1043518117.db2.gz CZTUUGRTJKLPAH-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256552907 1043518127 /nfs/dbraw/zinc/51/81/27/1043518127.db2.gz CZTUUGRTJKLPAH-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256552907 1043518138 /nfs/dbraw/zinc/51/81/38/1043518138.db2.gz CZTUUGRTJKLPAH-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP COc1cccc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC001256556981 1043527284 /nfs/dbraw/zinc/52/72/84/1043527284.db2.gz KANWQTGFIXKMMS-KNQAVFIVSA-N 2 1 394.563 3.702 20 0 GHADMP C[C@H]1C[C@H](N(c2ccc(F)cn2)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256558019 1043530075 /nfs/dbraw/zinc/53/00/75/1043530075.db2.gz PTPNLIAXHBVSHC-PGRDOPGGSA-N 2 1 382.527 3.832 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256558817 1043533439 /nfs/dbraw/zinc/53/34/39/1043533439.db2.gz WDEZGOXTXUVDEV-FPOVZHCZSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256558817 1043533443 /nfs/dbraw/zinc/53/34/43/1043533443.db2.gz WDEZGOXTXUVDEV-FPOVZHCZSA-N 2 1 380.536 3.681 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)CC1 ZINC001256570838 1043544071 /nfs/dbraw/zinc/54/40/71/1043544071.db2.gz RALVXFXEMFUJGG-NRFANRHFSA-N 2 1 392.538 3.882 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)CC1 ZINC001256570838 1043544082 /nfs/dbraw/zinc/54/40/82/1043544082.db2.gz RALVXFXEMFUJGG-NRFANRHFSA-N 2 1 392.538 3.882 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC1 ZINC001256572426 1043546491 /nfs/dbraw/zinc/54/64/91/1043546491.db2.gz HBNSDNCCEKMDCD-RUZDIDTESA-N 2 1 397.607 3.807 20 0 GHADMP CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256601185 1043564330 /nfs/dbraw/zinc/56/43/30/1043564330.db2.gz NALGFIYTOGFXMT-UHFFFAOYSA-N 2 1 375.557 3.934 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001256612368 1043575958 /nfs/dbraw/zinc/57/59/58/1043575958.db2.gz JAEFLFZVKAOYAO-XZOQPEGZSA-N 2 1 378.516 3.540 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001256612368 1043575965 /nfs/dbraw/zinc/57/59/65/1043575965.db2.gz JAEFLFZVKAOYAO-XZOQPEGZSA-N 2 1 378.516 3.540 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256617933 1043579789 /nfs/dbraw/zinc/57/97/89/1043579789.db2.gz ZVBLVMLQHVRAKL-JGVYHGLESA-N 2 1 382.589 3.705 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256617933 1043579795 /nfs/dbraw/zinc/57/97/95/1043579795.db2.gz ZVBLVMLQHVRAKL-JGVYHGLESA-N 2 1 382.589 3.705 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256687226 1043622019 /nfs/dbraw/zinc/62/20/19/1043622019.db2.gz QNDUXOSXUODOBW-DOBXKQIDSA-N 3 1 377.617 3.782 20 0 GHADMP Clc1ccc(CO[C@H]2CCC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256695112 1043626545 /nfs/dbraw/zinc/62/65/45/1043626545.db2.gz NFFSRAMQEKAQSZ-HRTMPFAESA-N 2 1 392.971 3.964 20 0 GHADMP C[C@@H](Cc1ccncc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001256742979 1043645001 /nfs/dbraw/zinc/64/50/01/1043645001.db2.gz QMHUMYUFPSIUFC-AZUAARDMSA-N 2 1 385.577 3.830 20 0 GHADMP C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855903 1043705190 /nfs/dbraw/zinc/70/51/90/1043705190.db2.gz ZKSMYHGAGQGJBS-MSOLQXFVSA-N 2 1 388.556 3.676 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256857628 1043706098 /nfs/dbraw/zinc/70/60/98/1043706098.db2.gz VWGSOINEDIZIOF-JOCHJYFZSA-N 2 1 386.540 3.526 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1)c1ccccc1F ZINC001256906423 1043733109 /nfs/dbraw/zinc/73/31/09/1043733109.db2.gz QTZKGIXIPGOQMD-GUDVDZBRSA-N 2 1 387.543 3.863 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1)c1ccccc1F ZINC001256906423 1043733114 /nfs/dbraw/zinc/73/31/14/1043733114.db2.gz QTZKGIXIPGOQMD-GUDVDZBRSA-N 2 1 387.543 3.863 20 0 GHADMP O=C1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCCN1 ZINC001256930092 1043755630 /nfs/dbraw/zinc/75/56/30/1043755630.db2.gz BQQAGVJSPSLWDM-UHFFFAOYSA-N 2 1 391.559 3.822 20 0 GHADMP COC(=O)CC1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001256989308 1043789613 /nfs/dbraw/zinc/78/96/13/1043789613.db2.gz DJIXDXWJJDFGOM-JZEAKTPCSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001256989308 1043789616 /nfs/dbraw/zinc/78/96/16/1043789616.db2.gz DJIXDXWJJDFGOM-JZEAKTPCSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001256989308 1043789621 /nfs/dbraw/zinc/78/96/21/1043789621.db2.gz DJIXDXWJJDFGOM-JZEAKTPCSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001256990904 1043790574 /nfs/dbraw/zinc/79/05/74/1043790574.db2.gz PCNMXPFHMNVIHJ-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)CC1CCC([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001256990904 1043790586 /nfs/dbraw/zinc/79/05/86/1043790586.db2.gz PCNMXPFHMNVIHJ-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001257071001 1043832392 /nfs/dbraw/zinc/83/23/92/1043832392.db2.gz ZGGNATYHDGJEPT-LPHOPBHVSA-N 2 1 398.469 3.991 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257113654 1043857500 /nfs/dbraw/zinc/85/75/00/1043857500.db2.gz IYPFXRIHXLOTHK-ZWKOTPCHSA-N 3 1 398.636 3.640 20 0 GHADMP CC(C)[C@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1C(=O)OC(C)(C)C ZINC001257207266 1043937808 /nfs/dbraw/zinc/93/78/08/1043937808.db2.gz ZZOJVXZVEFYASS-RBUKOAKNSA-N 2 1 379.589 3.828 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)CCN1C(=O)OC(C)(C)C ZINC001257207265 1043937986 /nfs/dbraw/zinc/93/79/86/1043937986.db2.gz ZZOJVXZVEFYASS-OALUTQOASA-N 2 1 379.589 3.828 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001257214358 1043938632 /nfs/dbraw/zinc/93/86/32/1043938632.db2.gz BXNUXDJVDNKGCH-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001293235736 1044070122 /nfs/dbraw/zinc/07/01/22/1044070122.db2.gz FZIDNVVRSHGKNF-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001293235736 1044070131 /nfs/dbraw/zinc/07/01/31/1044070131.db2.gz FZIDNVVRSHGKNF-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001293235736 1044070141 /nfs/dbraw/zinc/07/01/41/1044070141.db2.gz FZIDNVVRSHGKNF-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](C3CCC4(CN(C(=O)OC(C)(C)C)C4)CC3)C2)CC1 ZINC001257761711 1044150273 /nfs/dbraw/zinc/15/02/73/1044150273.db2.gz JYDDUHOBURXEST-UHFFFAOYSA-N 2 1 377.573 3.584 20 0 GHADMP Cc1c[nH+]c(CC[NH3+])n1C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257764784 1044153454 /nfs/dbraw/zinc/15/34/54/1044153454.db2.gz RQDWULQCHYQNJZ-UHFFFAOYSA-N 2 1 376.545 3.825 20 0 GHADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257991772 1044321021 /nfs/dbraw/zinc/32/10/21/1044321021.db2.gz XWUORZUXRNFTLY-LEWJYISDSA-N 2 1 389.584 3.881 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258066531 1044378468 /nfs/dbraw/zinc/37/84/68/1044378468.db2.gz REBFFOYPWMRWJA-KAOXLYBCSA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258066531 1044378483 /nfs/dbraw/zinc/37/84/83/1044378483.db2.gz REBFFOYPWMRWJA-KAOXLYBCSA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258066531 1044378492 /nfs/dbraw/zinc/37/84/92/1044378492.db2.gz REBFFOYPWMRWJA-KAOXLYBCSA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258135502 1044418893 /nfs/dbraw/zinc/41/88/93/1044418893.db2.gz LJZDFQJPFJCRPF-UHFFFAOYSA-N 2 1 385.596 3.568 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136035 1044421177 /nfs/dbraw/zinc/42/11/77/1044421177.db2.gz YGNCALJEMRXMAM-UHFFFAOYSA-N 2 1 375.557 3.586 20 0 GHADMP CC(C)(C)CC(=O)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258137567 1044422564 /nfs/dbraw/zinc/42/25/64/1044422564.db2.gz HMEUKADKCXYQTP-UHFFFAOYSA-N 2 1 385.596 3.710 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001294071799 1044456016 /nfs/dbraw/zinc/45/60/16/1044456016.db2.gz KHGPBWZHWFPCDW-RBZQAINGSA-N 2 1 399.623 3.971 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@H](C)Cc4ccco4)CC3)C2)c1 ZINC001258187482 1044459466 /nfs/dbraw/zinc/45/94/66/1044459466.db2.gz GINJCWWQECOARD-LJQANCHMSA-N 2 1 384.520 3.586 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@H](C)Cc4ccco4)CC3)C2)c1 ZINC001258187482 1044459470 /nfs/dbraw/zinc/45/94/70/1044459470.db2.gz GINJCWWQECOARD-LJQANCHMSA-N 2 1 384.520 3.586 20 0 GHADMP CCCC[N@@H+](C)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001294215851 1044528681 /nfs/dbraw/zinc/52/86/81/1044528681.db2.gz VVMJFASNVHRQHZ-WOJBJXKFSA-N 2 1 390.620 3.588 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401555 1044539972 /nfs/dbraw/zinc/53/99/72/1044539972.db2.gz NESAXUBNTQICRO-ZFJSRUIDSA-N 2 1 386.580 3.697 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401555 1044539988 /nfs/dbraw/zinc/53/99/88/1044539988.db2.gz NESAXUBNTQICRO-ZFJSRUIDSA-N 2 1 386.580 3.697 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401555 1044540006 /nfs/dbraw/zinc/54/00/06/1044540006.db2.gz NESAXUBNTQICRO-ZFJSRUIDSA-N 2 1 386.580 3.697 20 0 GHADMP O=C1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001258573618 1044649264 /nfs/dbraw/zinc/64/92/64/1044649264.db2.gz CCBRJQUTUDEKEC-PKTZIBPZSA-N 2 1 383.580 3.812 20 0 GHADMP O=C1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001258573618 1044649276 /nfs/dbraw/zinc/64/92/76/1044649276.db2.gz CCBRJQUTUDEKEC-PKTZIBPZSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](Cc1cccnc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001258624138 1044673475 /nfs/dbraw/zinc/67/34/75/1044673475.db2.gz DXPWKOXFNMLTAI-NZQKXSOJSA-N 2 1 379.548 3.768 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258641246 1044683596 /nfs/dbraw/zinc/68/35/96/1044683596.db2.gz GIAJRKVTVRNORX-RDPSFJRHSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258641246 1044683601 /nfs/dbraw/zinc/68/36/01/1044683601.db2.gz GIAJRKVTVRNORX-RDPSFJRHSA-N 2 1 391.559 3.791 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258656872 1044696087 /nfs/dbraw/zinc/69/60/87/1044696087.db2.gz STYAIXCFRWNFQO-QFIPXVFZSA-N 2 1 396.579 3.701 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258656872 1044696095 /nfs/dbraw/zinc/69/60/95/1044696095.db2.gz STYAIXCFRWNFQO-QFIPXVFZSA-N 2 1 396.579 3.701 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258656872 1044696101 /nfs/dbraw/zinc/69/61/01/1044696101.db2.gz STYAIXCFRWNFQO-QFIPXVFZSA-N 2 1 396.579 3.701 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001258911032 1044866757 /nfs/dbraw/zinc/86/67/57/1044866757.db2.gz ZGDKYNSKNNRUJK-KNQAVFIVSA-N 2 1 397.604 3.599 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[NH+](C)CCc3ccccc3)C2)s1 ZINC001297604891 1045584768 /nfs/dbraw/zinc/58/47/68/1045584768.db2.gz AVKBPFTUEBPHLO-NRFANRHFSA-N 2 1 399.604 3.511 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001261296363 1045970858 /nfs/dbraw/zinc/97/08/58/1045970858.db2.gz YKZKSNFAJKDFJZ-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+]1CCC[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001261296363 1045970860 /nfs/dbraw/zinc/97/08/60/1045970860.db2.gz YKZKSNFAJKDFJZ-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+]1CCC[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001261296363 1045970861 /nfs/dbraw/zinc/97/08/61/1045970861.db2.gz YKZKSNFAJKDFJZ-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC001261735881 1046069214 /nfs/dbraw/zinc/06/92/14/1046069214.db2.gz UMWDJYCRSMDYAG-RJGXRXQPSA-N 2 1 395.522 3.567 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC001261735881 1046069219 /nfs/dbraw/zinc/06/92/19/1046069219.db2.gz UMWDJYCRSMDYAG-RJGXRXQPSA-N 2 1 395.522 3.567 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cs1)c1ccccc1 ZINC001262378907 1046254691 /nfs/dbraw/zinc/25/46/91/1046254691.db2.gz OFDSUEZVMCNDIZ-WAOWUJCRSA-N 2 1 398.576 3.990 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cs1)c1ccccc1 ZINC001262378907 1046254701 /nfs/dbraw/zinc/25/47/01/1046254701.db2.gz OFDSUEZVMCNDIZ-WAOWUJCRSA-N 2 1 398.576 3.990 20 0 GHADMP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001463063697 1070767120 /nfs/dbraw/zinc/76/71/20/1070767120.db2.gz RZIIDFLJGJKEPD-UHFFFAOYSA-N 2 1 378.520 3.923 20 0 GHADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001301380661 1046516328 /nfs/dbraw/zinc/51/63/28/1046516328.db2.gz ZZTKVJNKEWHMDM-GOTSBHOMSA-N 2 1 397.538 3.627 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001301380661 1046516345 /nfs/dbraw/zinc/51/63/45/1046516345.db2.gz ZZTKVJNKEWHMDM-GOTSBHOMSA-N 2 1 397.538 3.627 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCCC1 ZINC001301486018 1046563404 /nfs/dbraw/zinc/56/34/04/1046563404.db2.gz IHCWJBZEPPOZRM-RBBKRZOGSA-N 2 1 383.580 3.669 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)N1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001301494563 1046566329 /nfs/dbraw/zinc/56/63/29/1046566329.db2.gz UNLOPWMPJJEJMZ-UHFFFAOYSA-N 2 1 382.552 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)N1CC(C)(C)[N@@H+](Cc2ccccc2)CC1(C)C ZINC001301494563 1046566346 /nfs/dbraw/zinc/56/63/46/1046566346.db2.gz UNLOPWMPJJEJMZ-UHFFFAOYSA-N 2 1 382.552 3.908 20 0 GHADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(Br)cc3)C2)C1 ZINC001279143685 1047730176 /nfs/dbraw/zinc/73/01/76/1047730176.db2.gz WJOBZMQYUKDFPQ-HXUWFJFHSA-N 2 1 394.401 3.689 20 0 GHADMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(Br)cc3)C2)C1 ZINC001279143685 1047730179 /nfs/dbraw/zinc/73/01/79/1047730179.db2.gz WJOBZMQYUKDFPQ-HXUWFJFHSA-N 2 1 394.401 3.689 20 0 GHADMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(Br)c3)(C1)CCC2 ZINC001279381235 1047787011 /nfs/dbraw/zinc/78/70/11/1047787011.db2.gz FMBDQSBPLIWHJG-RBUKOAKNSA-N 2 1 398.364 3.674 20 0 GHADMP Brc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279384967 1047788815 /nfs/dbraw/zinc/78/88/15/1047788815.db2.gz NWMJRMRJOWJUOG-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP Brc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)nc1 ZINC001279392533 1047791695 /nfs/dbraw/zinc/79/16/95/1047791695.db2.gz XXBYEXSPPGIKGV-MOPGFXCFSA-N 2 1 389.341 3.897 20 0 GHADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)[nH]1 ZINC001279576986 1047844185 /nfs/dbraw/zinc/84/41/85/1047844185.db2.gz HHXNCDYODAQSDF-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cc(Cl)cs4)C[C@H]3CC2)[nH]1 ZINC001279576986 1047844195 /nfs/dbraw/zinc/84/41/95/1047844195.db2.gz HHXNCDYODAQSDF-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cc(Cl)cs4)C[C@H]3CC2)[nH]1 ZINC001279576986 1047844209 /nfs/dbraw/zinc/84/42/09/1047844209.db2.gz HHXNCDYODAQSDF-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP Cc1ccc(I)cc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001279626780 1047874673 /nfs/dbraw/zinc/87/46/73/1047874673.db2.gz KEIVWOFVWCPBPD-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001279636163 1047881139 /nfs/dbraw/zinc/88/11/39/1047881139.db2.gz DMITWHNCWGUIEC-UHFFFAOYSA-N 2 1 399.410 3.936 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC2(CCCN(CC[NH+](C)C)C2)CC1 ZINC001279636163 1047881161 /nfs/dbraw/zinc/88/11/61/1047881161.db2.gz DMITWHNCWGUIEC-UHFFFAOYSA-N 2 1 399.410 3.936 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc4sccc4nc3Cl)C[C@H]2CC1 ZINC001279672310 1047908635 /nfs/dbraw/zinc/90/86/35/1047908635.db2.gz OLQHLYVRJPJLGX-IYBDPMFKSA-N 2 1 393.000 3.655 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc4sccc4nc3Cl)C[C@H]2CC1 ZINC001279672310 1047908637 /nfs/dbraw/zinc/90/86/37/1047908637.db2.gz OLQHLYVRJPJLGX-IYBDPMFKSA-N 2 1 393.000 3.655 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc4sccc4nc3Cl)C[C@H]2CC1 ZINC001279672310 1047908639 /nfs/dbraw/zinc/90/86/39/1047908639.db2.gz OLQHLYVRJPJLGX-IYBDPMFKSA-N 2 1 393.000 3.655 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc4sccc4nc3Cl)C[C@H]2CC1 ZINC001279672310 1047908641 /nfs/dbraw/zinc/90/86/41/1047908641.db2.gz OLQHLYVRJPJLGX-IYBDPMFKSA-N 2 1 393.000 3.655 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc4sccc4nc3Cl)C[C@H]2CC1 ZINC001279672310 1047908644 /nfs/dbraw/zinc/90/86/44/1047908644.db2.gz OLQHLYVRJPJLGX-IYBDPMFKSA-N 2 1 393.000 3.655 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3cccn3Cc3cnc(Cl)s3)CC2)C1 ZINC001279708232 1047927445 /nfs/dbraw/zinc/92/74/45/1047927445.db2.gz DXNBZRKQAUBZJK-UHFFFAOYSA-N 2 1 378.973 3.954 20 0 GHADMP CCSCC[NH+]1CCC2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001280177231 1048117495 /nfs/dbraw/zinc/11/74/95/1048117495.db2.gz XOBRROZKMSDPJF-UHFFFAOYSA-N 2 1 375.582 3.686 20 0 GHADMP CC[N@@H+](CCc1cccs1)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001307434273 1049270967 /nfs/dbraw/zinc/27/09/67/1049270967.db2.gz UGALFIUCDGQBOU-UHFFFAOYSA-N 2 1 399.604 3.655 20 0 GHADMP CC[NH+](CCc1cccs1)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001307434273 1049270979 /nfs/dbraw/zinc/27/09/79/1049270979.db2.gz UGALFIUCDGQBOU-UHFFFAOYSA-N 2 1 399.604 3.655 20 0 GHADMP CC[NH+](CCc1cccs1)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001307434273 1049270992 /nfs/dbraw/zinc/27/09/92/1049270992.db2.gz UGALFIUCDGQBOU-UHFFFAOYSA-N 2 1 399.604 3.655 20 0 GHADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307507327 1049349419 /nfs/dbraw/zinc/34/94/19/1049349419.db2.gz KGOUOJWQXNYHKC-DEOSSOPVSA-N 2 1 382.548 3.538 20 0 GHADMP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001307507327 1049349424 /nfs/dbraw/zinc/34/94/24/1049349424.db2.gz KGOUOJWQXNYHKC-DEOSSOPVSA-N 2 1 382.548 3.538 20 0 GHADMP Oc1cccc(CN2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)c1 ZINC001307547201 1049390953 /nfs/dbraw/zinc/39/09/53/1049390953.db2.gz RKNMPCVBWSTFKX-UHFFFAOYSA-N 2 1 379.548 3.696 20 0 GHADMP Oc1cccc(C[NH+]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)c1 ZINC001307547201 1049390969 /nfs/dbraw/zinc/39/09/69/1049390969.db2.gz RKNMPCVBWSTFKX-UHFFFAOYSA-N 2 1 379.548 3.696 20 0 GHADMP C[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307700025 1049516751 /nfs/dbraw/zinc/51/67/51/1049516751.db2.gz YHONZUGOQCDEHB-XLIONFOSSA-N 2 1 377.960 3.858 20 0 GHADMP C[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307700025 1049516758 /nfs/dbraw/zinc/51/67/58/1049516758.db2.gz YHONZUGOQCDEHB-XLIONFOSSA-N 2 1 377.960 3.858 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](CCCNC(=O)OC(C)(C)C)CC1CCCC1 ZINC001307757041 1049571040 /nfs/dbraw/zinc/57/10/40/1049571040.db2.gz OFQJXERKTKJJLX-UHFFFAOYSA-N 2 1 378.561 3.989 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](CCCNC(=O)OC(C)(C)C)CC1CCCC1 ZINC001307757041 1049571053 /nfs/dbraw/zinc/57/10/53/1049571053.db2.gz OFQJXERKTKJJLX-UHFFFAOYSA-N 2 1 378.561 3.989 20 0 GHADMP CC[C@H](NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC001307875943 1049657818 /nfs/dbraw/zinc/65/78/18/1049657818.db2.gz ZMUWWJHPJUESIP-FQEVSTJZSA-N 2 1 386.927 3.515 20 0 GHADMP CC[C@H](NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC001307875943 1049657823 /nfs/dbraw/zinc/65/78/23/1049657823.db2.gz ZMUWWJHPJUESIP-FQEVSTJZSA-N 2 1 386.927 3.515 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001308001288 1049749433 /nfs/dbraw/zinc/74/94/33/1049749433.db2.gz AACYGIQDGQBSMG-WOJBJXKFSA-N 2 1 394.987 3.975 20 0 GHADMP Cn1ccc([C@@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1 ZINC001308087128 1049832910 /nfs/dbraw/zinc/83/29/10/1049832910.db2.gz QMOYIWUSBSRLFC-HSZRJFAPSA-N 2 1 380.580 3.944 20 0 GHADMP Cn1ccc([C@@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1 ZINC001308087128 1049832919 /nfs/dbraw/zinc/83/29/19/1049832919.db2.gz QMOYIWUSBSRLFC-HSZRJFAPSA-N 2 1 380.580 3.944 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC001308203157 1049911135 /nfs/dbraw/zinc/91/11/35/1049911135.db2.gz PUZVUVJCXLLULR-HSZRJFAPSA-N 2 1 385.596 3.796 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc3cc(Br)ccc3o2)C[C@H](C)O1 ZINC001308281038 1049935520 /nfs/dbraw/zinc/93/55/20/1049935520.db2.gz FULQSPXZCQXBRW-OKILXGFUSA-N 2 1 396.329 3.569 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001290900816 1049948818 /nfs/dbraw/zinc/94/88/18/1049948818.db2.gz ZNEPSNFQMSWECQ-IRMYBRCSSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290900816 1049948823 /nfs/dbraw/zinc/94/88/23/1049948823.db2.gz ZNEPSNFQMSWECQ-IRMYBRCSSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001290900816 1049948826 /nfs/dbraw/zinc/94/88/26/1049948826.db2.gz ZNEPSNFQMSWECQ-IRMYBRCSSA-N 2 1 385.596 3.771 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCC[NH+]2CCC2)cc1 ZINC001308358646 1049958081 /nfs/dbraw/zinc/95/80/81/1049958081.db2.gz MDLAFJMOWIBROH-UHFFFAOYSA-N 2 1 390.531 3.792 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001308467336 1049983010 /nfs/dbraw/zinc/98/30/10/1049983010.db2.gz ZKIJEVHGDVXWQF-QHCPKHFHSA-N 2 1 384.612 3.715 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001308467336 1049983014 /nfs/dbraw/zinc/98/30/14/1049983014.db2.gz ZKIJEVHGDVXWQF-QHCPKHFHSA-N 2 1 384.612 3.715 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC001308489148 1049988493 /nfs/dbraw/zinc/98/84/93/1049988493.db2.gz WSPIQCXMSSBQQO-NQIIRXRSSA-N 2 1 398.547 3.960 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)CC2)C1 ZINC001308637523 1050042919 /nfs/dbraw/zinc/04/29/19/1050042919.db2.gz WQKYREYWFYSHIC-YNJKOYDBSA-N 3 1 399.623 3.776 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H]3CO)CC2)C1 ZINC001308637523 1050042927 /nfs/dbraw/zinc/04/29/27/1050042927.db2.gz WQKYREYWFYSHIC-YNJKOYDBSA-N 3 1 399.623 3.776 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)CC2)C1 ZINC001308637523 1050042932 /nfs/dbraw/zinc/04/29/32/1050042932.db2.gz WQKYREYWFYSHIC-YNJKOYDBSA-N 3 1 399.623 3.776 20 0 GHADMP CC[N@@H+](CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC001308850090 1050123400 /nfs/dbraw/zinc/12/34/00/1050123400.db2.gz FKNGNVUCQYGSPW-XMSQKQJNSA-N 2 1 379.589 3.878 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CN(C)C(=O)OC(C)(C)C ZINC001327632703 1050237877 /nfs/dbraw/zinc/23/78/77/1050237877.db2.gz TYQZGWZPAKKHQC-IBGZPJMESA-N 2 1 389.584 3.786 20 0 GHADMP C[C@H](C(=O)Nc1ccnn1[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001328648999 1050575221 /nfs/dbraw/zinc/57/52/21/1050575221.db2.gz KXVNBEWEFICMQS-RCLSDMTESA-N 2 1 395.551 3.530 20 0 GHADMP C[C@H](C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001328648999 1050575231 /nfs/dbraw/zinc/57/52/31/1050575231.db2.gz KXVNBEWEFICMQS-RCLSDMTESA-N 2 1 395.551 3.530 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001328987718 1050689211 /nfs/dbraw/zinc/68/92/11/1050689211.db2.gz JOQDJJQDUKHXSH-SJORKVTESA-N 2 1 387.351 3.683 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001328987718 1050689225 /nfs/dbraw/zinc/68/92/25/1050689225.db2.gz JOQDJJQDUKHXSH-SJORKVTESA-N 2 1 387.351 3.683 20 0 GHADMP [NH3+][C@@H](CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccccc1 ZINC001332515924 1051536118 /nfs/dbraw/zinc/53/61/18/1051536118.db2.gz HWUQRLIIHMCWFJ-IBGZPJMESA-N 2 1 391.519 3.968 20 0 GHADMP CC[N@H+]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC001310919349 1051706143 /nfs/dbraw/zinc/70/61/43/1051706143.db2.gz HCDKMCGAXUAGTD-GOSISDBHSA-N 2 1 390.597 3.823 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCCC[C@@H]1C ZINC001311396707 1052090696 /nfs/dbraw/zinc/09/06/96/1052090696.db2.gz ORFFVHOJSNFTRH-QHAWAJNXSA-N 2 1 392.632 3.935 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC001311396707 1052090708 /nfs/dbraw/zinc/09/07/08/1052090708.db2.gz ORFFVHOJSNFTRH-QHAWAJNXSA-N 2 1 392.632 3.935 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@H+]1CCCC[C@@H]1C ZINC001311396707 1052090712 /nfs/dbraw/zinc/09/07/12/1052090712.db2.gz ORFFVHOJSNFTRH-QHAWAJNXSA-N 2 1 392.632 3.935 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001311396375 1052090774 /nfs/dbraw/zinc/09/07/74/1052090774.db2.gz NMXGZKTUYZWNGN-DENIHFKCSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311419017 1052122166 /nfs/dbraw/zinc/12/21/66/1052122166.db2.gz QAZIQGWKPSKXAK-RBBKRZOGSA-N 2 1 388.600 3.972 20 0 GHADMP CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001311496304 1052202278 /nfs/dbraw/zinc/20/22/78/1052202278.db2.gz LHEKDNOCUXCMGP-UXHICEINSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312011932 1052527594 /nfs/dbraw/zinc/52/75/94/1052527594.db2.gz LNWVNAVYKZTDFQ-NHCUHLMSSA-N 2 1 386.584 3.633 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312014305 1052530127 /nfs/dbraw/zinc/53/01/27/1052530127.db2.gz ZQYJXFCHZNWLQD-VXKWHMMOSA-N 2 1 384.568 3.530 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC001312442158 1052745140 /nfs/dbraw/zinc/74/51/40/1052745140.db2.gz NFANHBHJNWLFET-NRFANRHFSA-N 2 1 384.568 3.613 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC001312442158 1052745144 /nfs/dbraw/zinc/74/51/44/1052745144.db2.gz NFANHBHJNWLFET-NRFANRHFSA-N 2 1 384.568 3.613 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC001312557500 1052790123 /nfs/dbraw/zinc/79/01/23/1052790123.db2.gz LFEPESKRNOUADG-VXKWHMMOSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001312598758 1052805526 /nfs/dbraw/zinc/80/55/26/1052805526.db2.gz RWHXKPVIYLZGMG-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001312598758 1052805530 /nfs/dbraw/zinc/80/55/30/1052805530.db2.gz RWHXKPVIYLZGMG-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001312598758 1052805531 /nfs/dbraw/zinc/80/55/31/1052805531.db2.gz RWHXKPVIYLZGMG-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001312598758 1052805536 /nfs/dbraw/zinc/80/55/36/1052805536.db2.gz RWHXKPVIYLZGMG-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001312649054 1052826261 /nfs/dbraw/zinc/82/62/61/1052826261.db2.gz TWGQJFZJYMJMGE-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001312649054 1052826264 /nfs/dbraw/zinc/82/62/64/1052826264.db2.gz TWGQJFZJYMJMGE-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001312649054 1052826266 /nfs/dbraw/zinc/82/62/66/1052826266.db2.gz TWGQJFZJYMJMGE-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC001313004823 1052931878 /nfs/dbraw/zinc/93/18/78/1052931878.db2.gz WYUHCZNVBUWAMB-HUUJSLGLSA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001313004823 1052931881 /nfs/dbraw/zinc/93/18/81/1052931881.db2.gz WYUHCZNVBUWAMB-HUUJSLGLSA-N 2 1 386.584 3.552 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001313004823 1052931885 /nfs/dbraw/zinc/93/18/85/1052931885.db2.gz WYUHCZNVBUWAMB-HUUJSLGLSA-N 2 1 386.584 3.552 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313663977 1053160302 /nfs/dbraw/zinc/16/03/02/1053160302.db2.gz LSXMGTLAWNYDLA-LJQANCHMSA-N 2 1 390.620 3.587 20 0 GHADMP CC[N@H+]1CCN(c2nnc(C3CCCC3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001313938209 1053293327 /nfs/dbraw/zinc/29/33/27/1053293327.db2.gz RRRLFXITHZPJJP-LJQANCHMSA-N 2 1 390.620 3.585 20 0 GHADMP COCC[N@H+](Cc1cn(-c2ccccc2Cl)nc1C)CC1CC[NH+](C)CC1 ZINC001474660418 1054225445 /nfs/dbraw/zinc/22/54/45/1054225445.db2.gz MDPKRZUEPQOPLW-UHFFFAOYSA-N 2 1 390.959 3.624 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC001318660026 1054779630 /nfs/dbraw/zinc/77/96/30/1054779630.db2.gz DAQDXMYJGRWKAD-VIZSFHNOSA-N 2 1 398.595 3.544 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001318846154 1054914552 /nfs/dbraw/zinc/91/45/52/1054914552.db2.gz XXUSJHNPNPEQJI-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001318846154 1054914556 /nfs/dbraw/zinc/91/45/56/1054914556.db2.gz XXUSJHNPNPEQJI-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@H](C)C1 ZINC001319211339 1055097587 /nfs/dbraw/zinc/09/75/87/1055097587.db2.gz MBTPBFPARJJEFL-XMSQKQJNSA-N 2 1 377.548 3.521 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC001319342587 1055194580 /nfs/dbraw/zinc/19/45/80/1055194580.db2.gz VRLKYGGQSYRHRM-OEMFJLHTSA-N 2 1 395.591 3.825 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001319342587 1055194584 /nfs/dbraw/zinc/19/45/84/1055194584.db2.gz VRLKYGGQSYRHRM-OEMFJLHTSA-N 2 1 395.591 3.825 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001319342587 1055194589 /nfs/dbraw/zinc/19/45/89/1055194589.db2.gz VRLKYGGQSYRHRM-OEMFJLHTSA-N 2 1 395.591 3.825 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319657851 1055382609 /nfs/dbraw/zinc/38/26/09/1055382609.db2.gz ZECVXQMUTXQSKJ-ROUUACIJSA-N 2 1 382.552 3.999 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319657851 1055382618 /nfs/dbraw/zinc/38/26/18/1055382618.db2.gz ZECVXQMUTXQSKJ-ROUUACIJSA-N 2 1 382.552 3.999 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c(C)o1 ZINC001320991835 1056047953 /nfs/dbraw/zinc/04/79/53/1056047953.db2.gz DPRHZJDWODWNQO-IBGZPJMESA-N 2 1 383.536 3.590 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c(C)o1 ZINC001320991835 1056047966 /nfs/dbraw/zinc/04/79/66/1056047966.db2.gz DPRHZJDWODWNQO-IBGZPJMESA-N 2 1 383.536 3.590 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001320999405 1056051357 /nfs/dbraw/zinc/05/13/57/1056051357.db2.gz KFWMVJFLJZBZHV-DEOSSOPVSA-N 2 1 393.575 3.955 20 0 GHADMP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001353959843 1056188802 /nfs/dbraw/zinc/18/88/02/1056188802.db2.gz AOVAHXXLBTZCNK-PKTZIBPZSA-N 2 1 385.596 3.771 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001321581350 1056326925 /nfs/dbraw/zinc/32/69/25/1056326925.db2.gz UQBZZFXDIBUSNI-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001321581350 1056326942 /nfs/dbraw/zinc/32/69/42/1056326942.db2.gz UQBZZFXDIBUSNI-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001321581350 1056326962 /nfs/dbraw/zinc/32/69/62/1056326962.db2.gz UQBZZFXDIBUSNI-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001200714525 1056797687 /nfs/dbraw/zinc/79/76/87/1056797687.db2.gz KOMGZCVKPPDTLX-QVKFZJNVSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001200714525 1056797698 /nfs/dbraw/zinc/79/76/98/1056797698.db2.gz KOMGZCVKPPDTLX-QVKFZJNVSA-N 2 1 390.549 3.947 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001323066605 1056916931 /nfs/dbraw/zinc/91/69/31/1056916931.db2.gz ORSIMZQAOZMAHB-XZOQPEGZSA-N 2 1 383.580 3.826 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001324101004 1057070195 /nfs/dbraw/zinc/07/01/95/1057070195.db2.gz GJHBKNUHGCISTO-GLCCWIKHSA-N 2 1 398.595 3.746 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324101004 1057070199 /nfs/dbraw/zinc/07/01/99/1057070199.db2.gz GJHBKNUHGCISTO-GLCCWIKHSA-N 2 1 398.595 3.746 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324101004 1057070206 /nfs/dbraw/zinc/07/02/06/1057070206.db2.gz GJHBKNUHGCISTO-GLCCWIKHSA-N 2 1 398.595 3.746 20 0 GHADMP COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3CNc3cccc(C)n3)o2)cc1 ZINC001324296566 1057106280 /nfs/dbraw/zinc/10/62/80/1057106280.db2.gz GDQCOPZFOCPCBU-KRWDZBQOSA-N 2 1 379.464 3.525 20 0 GHADMP COc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3CNc3cccc(C)n3)o2)cc1 ZINC001324296566 1057106288 /nfs/dbraw/zinc/10/62/88/1057106288.db2.gz GDQCOPZFOCPCBU-KRWDZBQOSA-N 2 1 379.464 3.525 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000848521318 1057146153 /nfs/dbraw/zinc/14/61/53/1057146153.db2.gz MPUKZRMEAJOAGD-QZTJIDSGSA-N 2 1 385.512 3.501 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)o1 ZINC000848893622 1057401341 /nfs/dbraw/zinc/40/13/41/1057401341.db2.gz YNHOKHPLTXJZFQ-DXRVJIQQSA-N 2 1 382.504 3.988 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000848899387 1057406492 /nfs/dbraw/zinc/40/64/92/1057406492.db2.gz NFDIDCHPCYQAIM-HPTYGODWSA-N 2 1 382.504 3.856 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)o1 ZINC000848900626 1057407251 /nfs/dbraw/zinc/40/72/51/1057407251.db2.gz OQBDPEXOHCIKOX-MDZDMXLPSA-N 2 1 382.504 3.988 20 0 GHADMP O[C@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000848911794 1057415528 /nfs/dbraw/zinc/41/55/28/1057415528.db2.gz IGONAZLSKDCXGS-QFBILLFUSA-N 2 1 387.351 3.650 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001326203064 1057432780 /nfs/dbraw/zinc/43/27/80/1057432780.db2.gz ZKGCBQVOSSSIBQ-UHFFFAOYSA-N 2 1 381.520 3.635 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001326461668 1057488248 /nfs/dbraw/zinc/48/82/48/1057488248.db2.gz KKZCYUYRUHVGMI-LJQANCHMSA-N 2 1 388.581 3.577 20 0 GHADMP COc1ccc(NC(=[NH2+])NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000848989553 1057492846 /nfs/dbraw/zinc/49/28/46/1057492846.db2.gz WSPCFXMPBQMWMB-IEBWSBKVSA-N 2 1 396.535 3.941 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(Cl)c(F)c3)CC2)CC1 ZINC001326757495 1057550581 /nfs/dbraw/zinc/55/05/81/1057550581.db2.gz RKUIDZUOJJGURN-HNNXBMFYSA-N 2 1 395.950 3.853 20 0 GHADMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000849055184 1057566116 /nfs/dbraw/zinc/56/61/16/1057566116.db2.gz KQBZKPNHXJMCPL-LJQANCHMSA-N 2 1 399.608 3.798 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000849062138 1057573142 /nfs/dbraw/zinc/57/31/42/1057573142.db2.gz OYJZWEPKEKTUDA-FQEVSTJZSA-N 2 1 384.499 3.503 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001337678167 1058212662 /nfs/dbraw/zinc/21/26/62/1058212662.db2.gz KJJMWJVSIVXJIQ-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP COc1cccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)c1 ZINC001440374081 1058505184 /nfs/dbraw/zinc/50/51/84/1058505184.db2.gz POGZLJRAAOGWBE-XZOQPEGZSA-N 2 1 399.579 3.745 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC001338806023 1058797837 /nfs/dbraw/zinc/79/78/37/1058797837.db2.gz GAHPSXNSDPYQKA-QHCPKHFHSA-N 2 1 383.580 3.826 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC001338809019 1058801319 /nfs/dbraw/zinc/80/13/19/1058801319.db2.gz GVYGGLFLCAOZPE-KNQAVFIVSA-N 2 1 394.563 3.682 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1 ZINC001338809019 1058801348 /nfs/dbraw/zinc/80/13/48/1058801348.db2.gz GVYGGLFLCAOZPE-KNQAVFIVSA-N 2 1 394.563 3.682 20 0 GHADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001450364758 1060582936 /nfs/dbraw/zinc/58/29/36/1060582936.db2.gz ZNAAPGINPHAWSZ-HXUWFJFHSA-N 2 1 394.563 3.997 20 0 GHADMP O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001347098711 1062114707 /nfs/dbraw/zinc/11/47/07/1062114707.db2.gz RTHQCVWWXQVPRZ-MRXNPFEDSA-N 2 1 382.483 3.827 20 0 GHADMP O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001347098711 1062114716 /nfs/dbraw/zinc/11/47/16/1062114716.db2.gz RTHQCVWWXQVPRZ-MRXNPFEDSA-N 2 1 382.483 3.827 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC001436206688 1063290172 /nfs/dbraw/zinc/29/01/72/1063290172.db2.gz UMNDGAGPCYOPTH-MSNJVRRCSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC001349390714 1063694259 /nfs/dbraw/zinc/69/42/59/1063694259.db2.gz ZJZSXAQMUSGFSB-AWEZNQCLSA-N 2 1 384.351 3.636 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001437721023 1063921840 /nfs/dbraw/zinc/92/18/40/1063921840.db2.gz AXVJUPFWHFCASK-NZQKXSOJSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001437721023 1063921846 /nfs/dbraw/zinc/92/18/46/1063921846.db2.gz AXVJUPFWHFCASK-NZQKXSOJSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001437721023 1063921850 /nfs/dbraw/zinc/92/18/50/1063921850.db2.gz AXVJUPFWHFCASK-NZQKXSOJSA-N 2 1 389.559 3.568 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC4(C3)CCCCC4)CC2)cc1 ZINC001459549056 1064125238 /nfs/dbraw/zinc/12/52/38/1064125238.db2.gz JEATUTURQPVZBL-UHFFFAOYSA-N 2 1 383.580 3.686 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC4(C3)CCCCC4)CC2)cc1 ZINC001459549056 1064125243 /nfs/dbraw/zinc/12/52/43/1064125243.db2.gz JEATUTURQPVZBL-UHFFFAOYSA-N 2 1 383.580 3.686 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC4(C3)CCCCC4)CC2)cc1 ZINC001459549056 1064125247 /nfs/dbraw/zinc/12/52/47/1064125247.db2.gz JEATUTURQPVZBL-UHFFFAOYSA-N 2 1 383.580 3.686 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCC(C)(C)C[C@@H]3C)CC2)cc1 ZINC001459999561 1064332523 /nfs/dbraw/zinc/33/25/23/1064332523.db2.gz VDJXUVZNXNNQBC-RBBKRZOGSA-N 2 1 385.596 3.834 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC001463760975 1064593463 /nfs/dbraw/zinc/59/34/63/1064593463.db2.gz BRPQKHOIPXAGLY-XZOQPEGZSA-N 2 1 397.538 3.908 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001464109693 1064828472 /nfs/dbraw/zinc/82/84/72/1064828472.db2.gz YRHKQYQLGCTMRT-HXUWFJFHSA-N 2 1 381.520 3.660 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001464197206 1064902691 /nfs/dbraw/zinc/90/26/91/1064902691.db2.gz XOYFVPYCLPRATJ-SRYPRDQNSA-N 2 1 385.596 3.901 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2c1ccn2CC(C)C ZINC001464694534 1065161069 /nfs/dbraw/zinc/16/10/69/1065161069.db2.gz LORYCKRUQJWHIH-HXUWFJFHSA-N 2 1 398.595 3.785 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC001464698763 1065162456 /nfs/dbraw/zinc/16/24/56/1065162456.db2.gz YBZIJVVGWZGWCK-QGZVFWFLSA-N 2 1 389.565 3.805 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(C)o2)s1 ZINC001464698761 1065163247 /nfs/dbraw/zinc/16/32/47/1065163247.db2.gz YBZIJVVGWZGWCK-KRWDZBQOSA-N 2 1 389.565 3.805 20 0 GHADMP COc1cc(C)c(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1OC ZINC001200095568 1065202636 /nfs/dbraw/zinc/20/26/36/1065202636.db2.gz KAPZGEPUFCUFKE-UHFFFAOYSA-N 2 1 387.524 3.619 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001464785317 1065209693 /nfs/dbraw/zinc/20/96/93/1065209693.db2.gz BVCQQHCNUTVADV-BJKOFHAPSA-N 2 1 391.559 3.852 20 0 GHADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001464811759 1065225704 /nfs/dbraw/zinc/22/57/04/1065225704.db2.gz DLLBSPXPBWRWMC-QFIPXVFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001464811759 1065225706 /nfs/dbraw/zinc/22/57/06/1065225706.db2.gz DLLBSPXPBWRWMC-QFIPXVFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001464811759 1065225714 /nfs/dbraw/zinc/22/57/14/1065225714.db2.gz DLLBSPXPBWRWMC-QFIPXVFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001464811759 1065225720 /nfs/dbraw/zinc/22/57/20/1065225720.db2.gz DLLBSPXPBWRWMC-QFIPXVFZSA-N 2 1 389.559 3.903 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[C@H]1C ZINC001465372751 1065574004 /nfs/dbraw/zinc/57/40/04/1065574004.db2.gz CAGDZEPXESYLQH-HJNYFJLDSA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[C@H]1C ZINC001465372751 1065574017 /nfs/dbraw/zinc/57/40/17/1065574017.db2.gz CAGDZEPXESYLQH-HJNYFJLDSA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@H]1C ZINC001465372751 1065574033 /nfs/dbraw/zinc/57/40/33/1065574033.db2.gz CAGDZEPXESYLQH-HJNYFJLDSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCC[C@]1(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001465616384 1065748339 /nfs/dbraw/zinc/74/83/39/1065748339.db2.gz ZMWGLSYSNXKRME-OFNKIYASSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001466125515 1065990698 /nfs/dbraw/zinc/99/06/98/1065990698.db2.gz DOVGBGAWXDPCAX-IFMALSPDSA-N 2 1 385.596 3.915 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=S)NCC[NH+]2CCCCC2)c1 ZINC001200430065 1066196425 /nfs/dbraw/zinc/19/64/25/1066196425.db2.gz FZJBWPCEEDIMML-UHFFFAOYSA-N 2 1 385.581 3.827 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC001467299798 1067209415 /nfs/dbraw/zinc/20/94/15/1067209415.db2.gz OCOXMMCIHWZARX-CDNPAEQRSA-N 2 1 397.538 3.988 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC001467299798 1067209421 /nfs/dbraw/zinc/20/94/21/1067209421.db2.gz OCOXMMCIHWZARX-CDNPAEQRSA-N 2 1 397.538 3.988 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001477633314 1078499782 /nfs/dbraw/zinc/49/97/82/1078499782.db2.gz FRTUTUMJUAAHKU-QFIPXVFZSA-N 2 1 386.584 3.688 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)[NH+](C)C)cc1 ZINC001477651149 1078508741 /nfs/dbraw/zinc/50/87/41/1078508741.db2.gz YIRJGWZBVFSXRB-REWPJTCUSA-N 2 1 394.563 3.686 20 0 GHADMP C[N@H+]1CCCC[C@@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001467629721 1067390813 /nfs/dbraw/zinc/39/08/13/1067390813.db2.gz IWXZYSSRCUDKRC-FXAWDEMLSA-N 2 1 392.975 3.508 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001467688214 1067421030 /nfs/dbraw/zinc/42/10/30/1067421030.db2.gz UUWVJHWMYRUAOY-VAMGGRTRSA-N 2 1 380.621 3.554 20 0 GHADMP C[C@@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001467782069 1067466290 /nfs/dbraw/zinc/46/62/90/1067466290.db2.gz YODHWAJXWBOVNI-SIKLNZKXSA-N 2 1 385.596 3.566 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)C(C)(C)CC2)cc1 ZINC001467863277 1067504133 /nfs/dbraw/zinc/50/41/33/1067504133.db2.gz WLZCTYSBKINSHB-LJQANCHMSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC001467863277 1067504137 /nfs/dbraw/zinc/50/41/37/1067504137.db2.gz WLZCTYSBKINSHB-LJQANCHMSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1 ZINC001467863277 1067504141 /nfs/dbraw/zinc/50/41/41/1067504141.db2.gz WLZCTYSBKINSHB-LJQANCHMSA-N 2 1 386.584 3.687 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(-c4ccccc4C)[nH]n3)CC2)CC1 ZINC000521642864 1067582647 /nfs/dbraw/zinc/58/26/47/1067582647.db2.gz UKMAIVSLAUOYLE-UHFFFAOYSA-N 2 1 395.551 3.520 20 0 GHADMP Cn1c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nc2cc(Cl)ccc21 ZINC001474121861 1067585367 /nfs/dbraw/zinc/58/53/67/1067585367.db2.gz LPSOSGURQICSJV-UHFFFAOYSA-N 2 1 398.938 3.991 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001468100204 1067595398 /nfs/dbraw/zinc/59/53/98/1067595398.db2.gz RRUPRCQXYNOENC-LEWJYISDSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001468175647 1067620916 /nfs/dbraw/zinc/62/09/16/1067620916.db2.gz OSGYHFWJFSSMBU-TXTKFYIRSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)CC1)CC1CC1 ZINC001468238014 1067644584 /nfs/dbraw/zinc/64/45/84/1067644584.db2.gz HQSFEHJYPHKMHL-UXHICEINSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1)CC1CC1 ZINC001468238014 1067644591 /nfs/dbraw/zinc/64/45/91/1067644591.db2.gz HQSFEHJYPHKMHL-UXHICEINSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1)CC1CC1 ZINC001468238014 1067644597 /nfs/dbraw/zinc/64/45/97/1067644597.db2.gz HQSFEHJYPHKMHL-UXHICEINSA-N 2 1 392.632 3.650 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001477786931 1078566457 /nfs/dbraw/zinc/56/64/57/1078566457.db2.gz IGFHJYGQLTYHQR-BHIFYINESA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@]1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CCC[N@H+]1Cc1ccccc1 ZINC000849097620 1067725982 /nfs/dbraw/zinc/72/59/82/1067725982.db2.gz BUQNBNFZIKYLTP-OFNKIYASSA-N 2 1 378.520 3.679 20 0 GHADMP Cc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000849114005 1067734202 /nfs/dbraw/zinc/73/42/02/1067734202.db2.gz QDFBRHLIUUOJKC-OAQYLSRUSA-N 2 1 392.547 3.860 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC001468762938 1067867232 /nfs/dbraw/zinc/86/72/32/1067867232.db2.gz CMUOKZKEANITDI-HXUWFJFHSA-N 2 1 394.648 3.896 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC001468950446 1067936297 /nfs/dbraw/zinc/93/62/97/1067936297.db2.gz MKBIXZCMAWUXRH-KBPBESRZSA-N 2 1 389.371 3.626 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC001468950446 1067936300 /nfs/dbraw/zinc/93/63/00/1067936300.db2.gz MKBIXZCMAWUXRH-KBPBESRZSA-N 2 1 389.371 3.626 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001469315129 1068095715 /nfs/dbraw/zinc/09/57/15/1068095715.db2.gz AENKFCVHPFWBET-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2CCC)CC[N@H+]1Cc1ccccc1 ZINC001470086909 1068565069 /nfs/dbraw/zinc/56/50/69/1068565069.db2.gz IIAAFSGYVSPPQU-VXKWHMMOSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)CC[NH+]1Cc1ccccc1 ZINC001470086909 1068565074 /nfs/dbraw/zinc/56/50/74/1068565074.db2.gz IIAAFSGYVSPPQU-VXKWHMMOSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2CCC)CC[NH+]1Cc1ccccc1 ZINC001470086909 1068565087 /nfs/dbraw/zinc/56/50/87/1068565087.db2.gz IIAAFSGYVSPPQU-VXKWHMMOSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC001470094026 1068568664 /nfs/dbraw/zinc/56/86/64/1068568664.db2.gz JBYVHUUAGAAACY-TXTKFYIRSA-N 2 1 394.563 3.594 20 0 GHADMP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC001470094026 1068568669 /nfs/dbraw/zinc/56/86/69/1068568669.db2.gz JBYVHUUAGAAACY-TXTKFYIRSA-N 2 1 394.563 3.594 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C)c1ccc(Cl)cc1 ZINC001470131856 1068587182 /nfs/dbraw/zinc/58/71/82/1068587182.db2.gz FIAYMJMPJXHDNF-VAMGGRTRSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccc(Cl)cc1 ZINC001470131856 1068587186 /nfs/dbraw/zinc/58/71/86/1068587186.db2.gz FIAYMJMPJXHDNF-VAMGGRTRSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)c1ccc(Cl)cc1 ZINC001470131856 1068587199 /nfs/dbraw/zinc/58/71/99/1068587199.db2.gz FIAYMJMPJXHDNF-VAMGGRTRSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1 ZINC001478765424 1078979287 /nfs/dbraw/zinc/97/92/87/1078979287.db2.gz OYPMFQKALUWWLS-UNMCSNQZSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001478765424 1078979289 /nfs/dbraw/zinc/97/92/89/1078979289.db2.gz OYPMFQKALUWWLS-UNMCSNQZSA-N 2 1 388.600 3.851 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001478765424 1078979292 /nfs/dbraw/zinc/97/92/92/1078979292.db2.gz OYPMFQKALUWWLS-UNMCSNQZSA-N 2 1 388.600 3.851 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC001472475186 1073503345 /nfs/dbraw/zinc/50/33/45/1073503345.db2.gz PGGNCKQLIKIVPN-ZEQRLZLVSA-N 2 1 391.559 3.982 20 0 GHADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)Cn3cc[nH+]c3C(C)C)ccc21 ZINC001472497626 1073513902 /nfs/dbraw/zinc/51/39/02/1073513902.db2.gz DQEHAUOLDIQEKG-UHFFFAOYSA-N 2 1 381.524 3.942 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163455 1073821437 /nfs/dbraw/zinc/82/14/37/1073821437.db2.gz JZLLLBHRDZBFTJ-MYSJAJEPSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163455 1073821455 /nfs/dbraw/zinc/82/14/55/1073821455.db2.gz JZLLLBHRDZBFTJ-MYSJAJEPSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163455 1073821464 /nfs/dbraw/zinc/82/14/64/1073821464.db2.gz JZLLLBHRDZBFTJ-MYSJAJEPSA-N 2 1 391.559 3.644 20 0 GHADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001473194410 1073846671 /nfs/dbraw/zinc/84/66/71/1073846671.db2.gz CXRSVVIMBLVBRI-DHIUTWEWSA-N 2 1 381.564 3.667 20 0 GHADMP CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001473275613 1073902727 /nfs/dbraw/zinc/90/27/27/1073902727.db2.gz JJUBZUCDBGLLID-NRFANRHFSA-N 2 1 386.584 3.812 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001473777888 1074137594 /nfs/dbraw/zinc/13/75/94/1074137594.db2.gz IWFZKWUSMQPILZ-RDGATRHJSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001473777888 1074137601 /nfs/dbraw/zinc/13/76/01/1074137601.db2.gz IWFZKWUSMQPILZ-RDGATRHJSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001473777888 1074137605 /nfs/dbraw/zinc/13/76/05/1074137605.db2.gz IWFZKWUSMQPILZ-RDGATRHJSA-N 2 1 397.607 3.725 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C3CCN(Cc4ccccc4)CC3)CC2)oc1C ZINC001473979370 1074224339 /nfs/dbraw/zinc/22/43/39/1074224339.db2.gz QKTRJMGVGOUJAH-UHFFFAOYSA-N 2 1 396.579 3.758 20 0 GHADMP COc1cccc2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cccc12 ZINC001474020936 1074238571 /nfs/dbraw/zinc/23/85/71/1074238571.db2.gz SENXRBJMLYZPKI-URXFXBBRSA-N 2 1 390.527 3.821 20 0 GHADMP COc1cccc2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cccc12 ZINC001474020936 1074238579 /nfs/dbraw/zinc/23/85/79/1074238579.db2.gz SENXRBJMLYZPKI-URXFXBBRSA-N 2 1 390.527 3.821 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC001474084560 1074258294 /nfs/dbraw/zinc/25/82/94/1074258294.db2.gz NROXFSZPRKPBCN-NRFANRHFSA-N 2 1 397.538 3.672 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1NCCC2 ZINC001474585497 1074472400 /nfs/dbraw/zinc/47/24/00/1074472400.db2.gz VCUBXDDQXHFWAO-DHIUTWEWSA-N 2 1 379.548 3.671 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2c1NCCC2 ZINC001474585497 1074472403 /nfs/dbraw/zinc/47/24/03/1074472403.db2.gz VCUBXDDQXHFWAO-DHIUTWEWSA-N 2 1 379.548 3.671 20 0 GHADMP CCOc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC001474641703 1074495458 /nfs/dbraw/zinc/49/54/58/1074495458.db2.gz FSGQSAHTWMRMEF-OAQYLSRUSA-N 2 1 387.499 3.724 20 0 GHADMP CCOc1cc(F)cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c1 ZINC001474641703 1074495463 /nfs/dbraw/zinc/49/54/63/1074495463.db2.gz FSGQSAHTWMRMEF-OAQYLSRUSA-N 2 1 387.499 3.724 20 0 GHADMP CCOc1cc(F)cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c1 ZINC001474641703 1074495465 /nfs/dbraw/zinc/49/54/65/1074495465.db2.gz FSGQSAHTWMRMEF-OAQYLSRUSA-N 2 1 387.499 3.724 20 0 GHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 ZINC001474673421 1074508705 /nfs/dbraw/zinc/50/87/05/1074508705.db2.gz BLMQCCUBHBCINT-UDDWMFPDSA-N 2 1 390.593 3.624 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC001474694495 1074519841 /nfs/dbraw/zinc/51/98/41/1074519841.db2.gz GFVIWBSQYDLILW-FUHWJXTLSA-N 2 1 378.442 3.860 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC001474694495 1074519848 /nfs/dbraw/zinc/51/98/48/1074519848.db2.gz GFVIWBSQYDLILW-FUHWJXTLSA-N 2 1 378.442 3.860 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C1CCCCC1 ZINC000821614665 606411445 /nfs/dbraw/zinc/41/14/45/606411445.db2.gz PUYGLKZYUOKWRU-UHFFFAOYSA-N 2 1 396.564 3.983 20 0 GHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000824764202 608208036 /nfs/dbraw/zinc/20/80/36/608208036.db2.gz UIJZMUJAFJNUFW-KRWDZBQOSA-N 2 1 391.523 3.561 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531813 609348409 /nfs/dbraw/zinc/34/84/09/609348409.db2.gz QTBQAEUXRAZFOS-TXPKVOOTSA-N 2 1 394.498 3.567 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531813 609348411 /nfs/dbraw/zinc/34/84/11/609348411.db2.gz QTBQAEUXRAZFOS-TXPKVOOTSA-N 2 1 394.498 3.567 20 0 GHADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164788669 721461394 /nfs/dbraw/zinc/46/13/94/721461394.db2.gz VLLLGPPGCNNELR-QFIPXVFZSA-N 2 1 399.579 3.693 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C3CC3)cc[nH+]1)CC2 ZINC001164788669 721461396 /nfs/dbraw/zinc/46/13/96/721461396.db2.gz VLLLGPPGCNNELR-QFIPXVFZSA-N 2 1 399.579 3.693 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OCc1cccnc1 ZINC000647544181 837476922 /nfs/dbraw/zinc/47/69/22/837476922.db2.gz XYYUKCUUQYGODF-FCHUYYIVSA-N 2 1 395.547 3.881 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000176917004 837595862 /nfs/dbraw/zinc/59/58/62/837595862.db2.gz NUKDCCUMTFYUGD-NRSPTQNISA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000176917004 837595871 /nfs/dbraw/zinc/59/58/71/837595871.db2.gz NUKDCCUMTFYUGD-NRSPTQNISA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000176917004 837595876 /nfs/dbraw/zinc/59/58/76/837595876.db2.gz NUKDCCUMTFYUGD-NRSPTQNISA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2F)CC[NH+]1Cc1ccccc1 ZINC000176917004 837595884 /nfs/dbraw/zinc/59/58/84/837595884.db2.gz NUKDCCUMTFYUGD-NRSPTQNISA-N 2 1 386.511 3.550 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(C)C ZINC000655685446 837668214 /nfs/dbraw/zinc/66/82/14/837668214.db2.gz DJVDSJMROKIVLW-FXAWDEMLSA-N 2 1 376.541 3.776 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000655691133 837671723 /nfs/dbraw/zinc/67/17/23/837671723.db2.gz QPGZXMKINSSVAZ-LJQANCHMSA-N 2 1 395.385 3.960 20 0 GHADMP FC(F)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703112 837699030 /nfs/dbraw/zinc/69/90/30/837699030.db2.gz AISGBIGBUALAFC-UYAOXDASSA-N 2 1 380.479 3.898 20 0 GHADMP c1ccc2[nH]c(-c3ccc(C[NH2+]C4CC[NH+](C[C@@H]5CCCO5)CC4)cc3)nc2c1 ZINC000655715138 837720375 /nfs/dbraw/zinc/72/03/75/837720375.db2.gz HYHCQWKHZATWTC-NRFANRHFSA-N 2 1 390.531 3.963 20 0 GHADMP Brc1cccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655727297 837746356 /nfs/dbraw/zinc/74/63/56/837746356.db2.gz MDBJUDQHSPZCCK-IBGZPJMESA-N 2 1 381.358 3.615 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654730410 834450643 /nfs/dbraw/zinc/45/06/43/834450643.db2.gz QJNWCNUXJHZPJM-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654730410 834450650 /nfs/dbraw/zinc/45/06/50/834450650.db2.gz QJNWCNUXJHZPJM-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654730410 834450654 /nfs/dbraw/zinc/45/06/54/834450654.db2.gz QJNWCNUXJHZPJM-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511252431 834520406 /nfs/dbraw/zinc/52/04/06/834520406.db2.gz LEHGFZNAXNEJEF-REWPJTCUSA-N 2 1 398.595 3.723 20 0 GHADMP CCCN(C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511252431 834520412 /nfs/dbraw/zinc/52/04/12/834520412.db2.gz LEHGFZNAXNEJEF-REWPJTCUSA-N 2 1 398.595 3.723 20 0 GHADMP CCCN(C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511252431 834520419 /nfs/dbraw/zinc/52/04/19/834520419.db2.gz LEHGFZNAXNEJEF-REWPJTCUSA-N 2 1 398.595 3.723 20 0 GHADMP CCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000655738060 837783462 /nfs/dbraw/zinc/78/34/62/837783462.db2.gz RHGCURBGAPTCCD-DEOSSOPVSA-N 3 1 399.623 3.912 20 0 GHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000151891155 834580373 /nfs/dbraw/zinc/58/03/73/834580373.db2.gz KLYFWNZQUAQURN-YADARESESA-N 2 1 394.563 3.674 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278770090 834607366 /nfs/dbraw/zinc/60/73/66/834607366.db2.gz CHYARNKTBTVIQX-UHFFFAOYSA-N 2 1 394.519 3.630 20 0 GHADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820956 834689516 /nfs/dbraw/zinc/68/95/16/834689516.db2.gz IAGSCGDRHYPOSA-IBGZPJMESA-N 2 1 380.536 3.671 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cncc(F)c1 ZINC000583613078 834757158 /nfs/dbraw/zinc/75/71/58/834757158.db2.gz UGTAZYDGSDNHFK-RXVVDRJESA-N 2 1 383.511 3.800 20 0 GHADMP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657871526 834777544 /nfs/dbraw/zinc/77/75/44/834777544.db2.gz JMZHHWNXNUNRPZ-HXUWFJFHSA-N 2 1 396.417 3.633 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177172049 837818189 /nfs/dbraw/zinc/81/81/89/837818189.db2.gz NADAHAZIVCUINW-SFHVURJKSA-N 2 1 399.539 3.585 20 0 GHADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000246258945 834860464 /nfs/dbraw/zinc/86/04/64/834860464.db2.gz KVMLIVCINOPASP-UOCCEFMXSA-N 2 1 377.532 3.634 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000511265409 834908266 /nfs/dbraw/zinc/90/82/66/834908266.db2.gz KXGDANXLZMPJIS-IBGZPJMESA-N 2 1 384.568 3.512 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431567114 834924713 /nfs/dbraw/zinc/92/47/13/834924713.db2.gz XFOFKFILCNNUQA-RTBURBONSA-N 2 1 375.582 3.798 20 0 GHADMP Cc1csc2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)cc(=O)n12 ZINC000151115461 834927155 /nfs/dbraw/zinc/92/71/55/834927155.db2.gz UJHXFLKXYJRDJO-INIZCTEOSA-N 2 1 388.581 3.541 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000431570846 834932786 /nfs/dbraw/zinc/93/27/86/834932786.db2.gz MTYZUVUFEPPDGB-MOPGFXCFSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2ccc(F)c3ccccc23)CC1 ZINC001125287194 834955681 /nfs/dbraw/zinc/95/56/81/834955681.db2.gz HSXHDKOSKJFAHB-CLFYSBASSA-N 2 1 390.462 3.778 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457389 835023012 /nfs/dbraw/zinc/02/30/12/835023012.db2.gz BKZDWOWVMKRELO-INIZCTEOSA-N 2 1 389.893 3.959 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1cc(F)cc(F)c1 ZINC000563782885 835056289 /nfs/dbraw/zinc/05/62/89/835056289.db2.gz PCNZHSPHOFZKRK-RBUKOAKNSA-N 2 1 399.485 3.747 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cc(F)cc(F)c1 ZINC000563782885 835056297 /nfs/dbraw/zinc/05/62/97/835056297.db2.gz PCNZHSPHOFZKRK-RBUKOAKNSA-N 2 1 399.485 3.747 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cc(F)cc(F)c1 ZINC000563782885 835056306 /nfs/dbraw/zinc/05/63/06/835056306.db2.gz PCNZHSPHOFZKRK-RBUKOAKNSA-N 2 1 399.485 3.747 20 0 GHADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000151948977 835080583 /nfs/dbraw/zinc/08/05/83/835080583.db2.gz UWECSTMEHCTTOO-DLBZAZTESA-N 2 1 377.960 3.655 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000151948977 835080594 /nfs/dbraw/zinc/08/05/94/835080594.db2.gz UWECSTMEHCTTOO-DLBZAZTESA-N 2 1 377.960 3.655 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)[C@H]2CCCO2)cc1 ZINC000685662120 835278425 /nfs/dbraw/zinc/27/84/25/835278425.db2.gz FPWPKZYRBMAGMY-QGTPRVQTSA-N 2 1 376.298 3.539 20 0 GHADMP COc1cc2cc[nH+]c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c2cc1F ZINC000583956179 835292232 /nfs/dbraw/zinc/29/22/32/835292232.db2.gz WWEOZNGKILOYQD-GOSISDBHSA-N 2 1 381.451 3.561 20 0 GHADMP COc1cc2cc[nH+]c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c2cc1F ZINC000583956179 835292241 /nfs/dbraw/zinc/29/22/41/835292241.db2.gz WWEOZNGKILOYQD-GOSISDBHSA-N 2 1 381.451 3.561 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)C1 ZINC000536171208 835310744 /nfs/dbraw/zinc/31/07/44/835310744.db2.gz PIRSGJHTFGCMMK-NXHRZFHOSA-N 2 1 391.506 3.703 20 0 GHADMP CCOC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000658024587 835376784 /nfs/dbraw/zinc/37/67/84/835376784.db2.gz ZGCJDNAVGBRODE-UVKLAMSESA-N 2 1 386.580 3.853 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000510117670 835382521 /nfs/dbraw/zinc/38/25/21/835382521.db2.gz JDMCEDLVNMLAFF-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000510117670 835382530 /nfs/dbraw/zinc/38/25/30/835382530.db2.gz JDMCEDLVNMLAFF-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000510117670 835382538 /nfs/dbraw/zinc/38/25/38/835382538.db2.gz JDMCEDLVNMLAFF-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000510117670 835382544 /nfs/dbraw/zinc/38/25/44/835382544.db2.gz JDMCEDLVNMLAFF-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658066972 835406014 /nfs/dbraw/zinc/40/60/14/835406014.db2.gz IELKUBIEWJWGKX-SFHVURJKSA-N 3 1 382.552 3.722 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCS2 ZINC000658142916 835453045 /nfs/dbraw/zinc/45/30/45/835453045.db2.gz ZVSDTBWWNLGLFS-NQIIRXRSSA-N 2 1 384.545 3.589 20 0 GHADMP COCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000584021108 835454310 /nfs/dbraw/zinc/45/43/10/835454310.db2.gz GTLHKJPHBZLYQY-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000584021108 835454313 /nfs/dbraw/zinc/45/43/13/835454313.db2.gz GTLHKJPHBZLYQY-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000584021108 835454316 /nfs/dbraw/zinc/45/43/16/835454316.db2.gz GTLHKJPHBZLYQY-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP COCCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000584021108 835454319 /nfs/dbraw/zinc/45/43/19/835454319.db2.gz GTLHKJPHBZLYQY-DEOSSOPVSA-N 2 1 380.532 3.810 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)cc2)C1 ZINC000658137451 835463127 /nfs/dbraw/zinc/46/31/27/835463127.db2.gz KVSCVKIQZUTZIM-ZTCOLXNVSA-N 2 1 398.522 3.650 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C(F)F)nc1 ZINC000657819498 835466560 /nfs/dbraw/zinc/46/65/60/835466560.db2.gz WSGDLJDSCHZDBN-YOEHRIQHSA-N 2 1 380.508 3.720 20 0 GHADMP Cn1ccc([C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccc(F)cc2)n1 ZINC000658164903 835480754 /nfs/dbraw/zinc/48/07/54/835480754.db2.gz GPZCBKXGAASINJ-HSZRJFAPSA-N 2 1 393.510 3.545 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082115 835564470 /nfs/dbraw/zinc/56/44/70/835564470.db2.gz AIXWJTNKOYCAHJ-VQTJNVASSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082115 835564481 /nfs/dbraw/zinc/56/44/81/835564481.db2.gz AIXWJTNKOYCAHJ-VQTJNVASSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082115 835564491 /nfs/dbraw/zinc/56/44/91/835564491.db2.gz AIXWJTNKOYCAHJ-VQTJNVASSA-N 2 1 381.495 3.608 20 0 GHADMP COc1cc2nccc(NCc3cnc4n3CCCC4)c2cc1Br ZINC000584109316 835650453 /nfs/dbraw/zinc/65/04/53/835650453.db2.gz MQNPMOAMIQESHZ-UHFFFAOYSA-N 2 1 387.281 3.573 20 0 GHADMP C[N@@H+](CCC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C1CCCCC1 ZINC000547732600 835838645 /nfs/dbraw/zinc/83/86/45/835838645.db2.gz HDSORRQFVJCFMK-OAQYLSRUSA-N 2 1 399.579 3.745 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC2)nc1 ZINC000180167332 836101173 /nfs/dbraw/zinc/10/11/73/836101173.db2.gz BOAPDGVLFDVEQB-OEMFJLHTSA-N 2 1 390.575 3.859 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2C)cc1 ZINC000647479332 836175882 /nfs/dbraw/zinc/17/58/82/836175882.db2.gz CPGSOOYTLBZEGC-NFBKMPQASA-N 2 1 382.552 3.521 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2C)cc1 ZINC000647479332 836175885 /nfs/dbraw/zinc/17/58/85/836175885.db2.gz CPGSOOYTLBZEGC-NFBKMPQASA-N 2 1 382.552 3.521 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413753260 836250619 /nfs/dbraw/zinc/25/06/19/836250619.db2.gz DQSIJDUKTJKZGC-CEXWTWQISA-N 2 1 386.584 3.664 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000414169276 836386529 /nfs/dbraw/zinc/38/65/29/836386529.db2.gz BAIDWSCWHMKJIM-GPJHCHHRSA-N 2 1 380.532 3.556 20 0 GHADMP CC(C)C[NH+]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000047571273 836423176 /nfs/dbraw/zinc/42/31/76/836423176.db2.gz FQXQANVNMDUXFF-UHFFFAOYSA-N 2 1 383.540 3.860 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000431668495 836632713 /nfs/dbraw/zinc/63/27/13/836632713.db2.gz YSNFZIMQIUWGRR-UXHICEINSA-N 2 1 398.551 3.915 20 0 GHADMP CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000413920556 836797004 /nfs/dbraw/zinc/79/70/04/836797004.db2.gz VWTSZBLAQHJKNG-NRFANRHFSA-N 2 1 387.499 3.615 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000511401429 837038691 /nfs/dbraw/zinc/03/86/91/837038691.db2.gz ZURGVLZJETWFKK-BVYCBKJFSA-N 2 1 394.003 3.813 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1)C1CC1 ZINC000511419402 837180767 /nfs/dbraw/zinc/18/07/67/837180767.db2.gz AOWQRTSBUMNUHH-UHFFFAOYSA-N 2 1 391.559 3.671 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1)C1CC1 ZINC000511419402 837180773 /nfs/dbraw/zinc/18/07/73/837180773.db2.gz AOWQRTSBUMNUHH-UHFFFAOYSA-N 2 1 391.559 3.671 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1)C1CC1 ZINC000511419402 837180777 /nfs/dbraw/zinc/18/07/77/837180777.db2.gz AOWQRTSBUMNUHH-UHFFFAOYSA-N 2 1 391.559 3.671 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc(OC)c1O ZINC000647532586 837340436 /nfs/dbraw/zinc/34/04/36/837340436.db2.gz LOMCCLYUDILJPW-PMACEKPBSA-N 2 1 384.520 3.582 20 0 GHADMP C[N@H+]1CC[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000423467467 837908636 /nfs/dbraw/zinc/90/86/36/837908636.db2.gz IZEIJOXVDYCPQG-MZURWIMNSA-N 2 1 381.539 3.944 20 0 GHADMP CN1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000423467467 837908640 /nfs/dbraw/zinc/90/86/40/837908640.db2.gz IZEIJOXVDYCPQG-MZURWIMNSA-N 2 1 381.539 3.944 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000312917613 838165806 /nfs/dbraw/zinc/16/58/06/838165806.db2.gz LVIKJRNIUZRYBN-SFHVURJKSA-N 2 1 380.458 3.837 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000312917613 838165810 /nfs/dbraw/zinc/16/58/10/838165810.db2.gz LVIKJRNIUZRYBN-SFHVURJKSA-N 2 1 380.458 3.837 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659288573 838221650 /nfs/dbraw/zinc/22/16/50/838221650.db2.gz JXKOWGLMOPPWJJ-RVSNTGDXSA-N 2 1 391.559 3.706 20 0 GHADMP COC(=O)c1c[nH]c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1C1CC1 ZINC000892676900 838244640 /nfs/dbraw/zinc/24/46/40/838244640.db2.gz SARPLKNOHIOENF-UHFFFAOYSA-N 2 1 382.439 3.602 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000415934128 838282041 /nfs/dbraw/zinc/28/20/41/838282041.db2.gz RBJZGKRBIVCYOL-XMMPIXPASA-N 2 1 392.547 3.926 20 0 GHADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659383953 838342840 /nfs/dbraw/zinc/34/28/40/838342840.db2.gz WWDKSMZHZMPMIU-BHDDXSALSA-N 2 1 383.580 3.703 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000376763479 838712098 /nfs/dbraw/zinc/71/20/98/838712098.db2.gz KBEHUGSAKULMIB-OCVOVZGFSA-N 2 1 381.524 3.508 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000376763479 838712108 /nfs/dbraw/zinc/71/21/08/838712108.db2.gz KBEHUGSAKULMIB-OCVOVZGFSA-N 2 1 381.524 3.508 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](C)CC3)CC1 ZINC000181459409 838810289 /nfs/dbraw/zinc/81/02/89/838810289.db2.gz PLBNYIRHTXOFEM-KRWDZBQOSA-N 2 1 379.614 3.826 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000893224967 839036479 /nfs/dbraw/zinc/03/64/79/839036479.db2.gz GYECEMAVXZCMAH-GFOJFJKKSA-N 2 1 376.516 3.510 20 0 GHADMP Cc1scc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000378407275 839048552 /nfs/dbraw/zinc/04/85/52/839048552.db2.gz USMSIMJPAUWDMY-UHFFFAOYSA-N 2 1 377.598 3.633 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NC1(c2ccccc2)CCC1 ZINC000613644812 839056186 /nfs/dbraw/zinc/05/61/86/839056186.db2.gz NBYACKPWBGQEGO-UHFFFAOYSA-N 2 1 383.580 3.770 20 0 GHADMP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000580223416 839076861 /nfs/dbraw/zinc/07/68/61/839076861.db2.gz KUPPGXOSPXDUMG-GOTSBHOMSA-N 2 1 386.580 3.710 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3c(C)nsc3C)CC2)c1C ZINC000576408206 844409366 /nfs/dbraw/zinc/40/93/66/844409366.db2.gz DUSHKXNPUFUGPA-UHFFFAOYSA-N 2 1 388.581 3.877 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3c(C)nsc3C)CC2)c1C ZINC000576408206 844409369 /nfs/dbraw/zinc/40/93/69/844409369.db2.gz DUSHKXNPUFUGPA-UHFFFAOYSA-N 2 1 388.581 3.877 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000183689729 839354288 /nfs/dbraw/zinc/35/42/88/839354288.db2.gz VLXCMULBDSGETG-RHSMWYFYSA-N 2 1 394.441 3.632 20 0 GHADMP CCS(=O)(=O)C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549235965 839440550 /nfs/dbraw/zinc/44/05/50/839440550.db2.gz SQFJAHZOOZMMFN-SIOWJKJVSA-N 2 1 399.000 3.667 20 0 GHADMP COc1cccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cs2)c1 ZINC000580451700 839574514 /nfs/dbraw/zinc/57/45/14/839574514.db2.gz ILLSTLARCPDYLW-PMACEKPBSA-N 2 1 387.549 3.537 20 0 GHADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc([C@H](C)[NH3+])cc3)c2C1 ZINC000415463149 839801562 /nfs/dbraw/zinc/80/15/62/839801562.db2.gz JEWQZQITWYCXKK-HOTGVXAUSA-N 2 1 394.519 3.644 20 0 GHADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(I)cc1 ZINC000610798246 844473754 /nfs/dbraw/zinc/47/37/54/844473754.db2.gz XNMBMPJWYURCJY-QGZVFWFLSA-N 2 1 384.305 3.959 20 0 GHADMP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000580567740 839820228 /nfs/dbraw/zinc/82/02/28/839820228.db2.gz JOYMLUNQYJYLNI-PKTZIBPZSA-N 2 1 395.591 3.762 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000580789809 840189940 /nfs/dbraw/zinc/18/99/40/840189940.db2.gz HNHZTOVEVWLXDZ-GOSISDBHSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000580789809 840189942 /nfs/dbraw/zinc/18/99/42/840189942.db2.gz HNHZTOVEVWLXDZ-GOSISDBHSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000580789809 840189950 /nfs/dbraw/zinc/18/99/50/840189950.db2.gz HNHZTOVEVWLXDZ-GOSISDBHSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000580789809 840189955 /nfs/dbraw/zinc/18/99/55/840189955.db2.gz HNHZTOVEVWLXDZ-GOSISDBHSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000580789809 840189959 /nfs/dbraw/zinc/18/99/59/840189959.db2.gz HNHZTOVEVWLXDZ-GOSISDBHSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403276 840222010 /nfs/dbraw/zinc/22/20/10/840222010.db2.gz ABKCTKGXUSLIBR-WZONZLPQSA-N 2 1 379.548 3.570 20 0 GHADMP C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403276 840222017 /nfs/dbraw/zinc/22/20/17/840222017.db2.gz ABKCTKGXUSLIBR-WZONZLPQSA-N 2 1 379.548 3.570 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(CC[NH3+])Cc3ccccc3)cc2)C1 ZINC000416965742 840313523 /nfs/dbraw/zinc/31/35/23/840313523.db2.gz DVCLNFJIPDPXEI-HXUWFJFHSA-N 2 1 394.563 3.589 20 0 GHADMP CC[NH2+]CC1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000416976147 840319217 /nfs/dbraw/zinc/31/92/17/840319217.db2.gz NZXOQRLYELJWTB-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418493308 840326724 /nfs/dbraw/zinc/32/67/24/840326724.db2.gz QMKMGIIBQVHWML-OTWHNJEPSA-N 2 1 380.536 3.511 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000416975117 840331441 /nfs/dbraw/zinc/33/14/41/840331441.db2.gz MIPMUGLTACQBBO-WMZHIEFXSA-N 2 1 398.595 3.735 20 0 GHADMP CC[C@@H]1CN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000418499160 840335090 /nfs/dbraw/zinc/33/50/90/840335090.db2.gz XXOHFHQISVSDEV-XMSQKQJNSA-N 2 1 380.536 3.512 20 0 GHADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCN(c2ccccn2)CC1 ZINC000093564618 840373220 /nfs/dbraw/zinc/37/32/20/840373220.db2.gz XOCNDDVYIANMPX-UHFFFAOYSA-N 2 1 396.579 3.761 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000473025844 840786087 /nfs/dbraw/zinc/78/60/87/840786087.db2.gz UBNFBUIQHWZIQV-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000581279875 841001488 /nfs/dbraw/zinc/00/14/88/841001488.db2.gz LLWZKMQOEKNYDK-XMMPIXPASA-N 2 1 381.564 3.596 20 0 GHADMP Fc1cccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1Br ZINC001137717331 841064877 /nfs/dbraw/zinc/06/48/77/841064877.db2.gz VHWCMCPELQWYRW-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660676500 841089426 /nfs/dbraw/zinc/08/94/26/841089426.db2.gz RXVMKUSKTIQICT-KNQAVFIVSA-N 2 1 398.595 3.918 20 0 GHADMP CC[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000430561042 841111238 /nfs/dbraw/zinc/11/12/38/841111238.db2.gz YOUPOBHJCZCYPY-UHFFFAOYSA-N 2 1 377.273 3.872 20 0 GHADMP C(CCCC[NH+]1CC[C@]2(CCOC2)C1)CCCC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000189078489 841131800 /nfs/dbraw/zinc/13/18/00/841131800.db2.gz CTULAKYZAOMUSA-ZRZAMGCNSA-N 2 1 378.601 3.942 20 0 GHADMP C(CCCC[NH+]1CC[C@@]2(CCOC2)C1)CCCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000189078489 841131806 /nfs/dbraw/zinc/13/18/06/841131806.db2.gz CTULAKYZAOMUSA-ZRZAMGCNSA-N 2 1 378.601 3.942 20 0 GHADMP C(CCCC[NH+]1CC[C@@]2(CCOC2)C1)CCCC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000189078489 841131814 /nfs/dbraw/zinc/13/18/14/841131814.db2.gz CTULAKYZAOMUSA-ZRZAMGCNSA-N 2 1 378.601 3.942 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417837862 841218038 /nfs/dbraw/zinc/21/80/38/841218038.db2.gz MRPXJVWPQUJFQC-AVCGJXAMSA-N 2 1 394.563 3.601 20 0 GHADMP C[NH+](CCCCC[N@H+](C)Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000558522228 841270618 /nfs/dbraw/zinc/27/06/18/841270618.db2.gz PIZNRPIZFYCLDH-UHFFFAOYSA-N 2 1 398.503 3.878 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2C(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000417948138 841308230 /nfs/dbraw/zinc/30/82/30/841308230.db2.gz HLCURXYDELTHKI-CTNGQTDRSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000581446457 841423677 /nfs/dbraw/zinc/42/36/77/841423677.db2.gz XCXDSNWGVAVJTJ-FQEVSTJZSA-N 2 1 385.596 3.907 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000660338895 841450881 /nfs/dbraw/zinc/45/08/81/841450881.db2.gz MOOSPVXSVYLDFA-QUCCMNQESA-N 2 1 392.613 3.552 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000549542428 841605563 /nfs/dbraw/zinc/60/55/63/841605563.db2.gz FXAPCDQYQIMMJY-XLIONFOSSA-N 2 1 394.991 3.610 20 0 GHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000651812531 841638175 /nfs/dbraw/zinc/63/81/75/841638175.db2.gz BJZWCIJUSKXRPJ-UHFFFAOYSA-N 2 1 393.535 3.504 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OCc1ccc(F)cc1 ZINC000119409696 841968499 /nfs/dbraw/zinc/96/84/99/841968499.db2.gz HZXBSTJHZWNVPE-LJQANCHMSA-N 2 1 384.495 3.987 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000581672251 841976814 /nfs/dbraw/zinc/97/68/14/841976814.db2.gz ZZEGUSPMSCJUAO-UHFFFAOYSA-N 2 1 391.437 3.600 20 0 GHADMP COc1cc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000166218444 841993588 /nfs/dbraw/zinc/99/35/88/841993588.db2.gz SKYVRUVJWASIMM-JRGCBEDISA-N 2 1 381.520 3.947 20 0 GHADMP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166289495 842010691 /nfs/dbraw/zinc/01/06/91/842010691.db2.gz UCCGLODHLLXCPZ-RBUKOAKNSA-N 2 1 382.470 3.970 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001167824974 842034821 /nfs/dbraw/zinc/03/48/21/842034821.db2.gz JFSJDQYKQINDCW-AVRDEDQJSA-N 2 1 375.532 3.765 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001167827035 842063964 /nfs/dbraw/zinc/06/39/64/842063964.db2.gz RRIVQMKRKWEIJC-CTAFRAEOSA-N 2 1 395.613 3.650 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2cnn(CC3CC3)c21 ZINC001167828437 842117448 /nfs/dbraw/zinc/11/74/48/842117448.db2.gz YLOIDZZWSZJTAY-GHTZIAJQSA-N 2 1 376.589 3.739 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001167834851 842271631 /nfs/dbraw/zinc/27/16/31/842271631.db2.gz NLGBLMPAOASPDO-CVEARBPZSA-N 2 1 395.510 3.981 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001167834851 842271641 /nfs/dbraw/zinc/27/16/41/842271641.db2.gz NLGBLMPAOASPDO-CVEARBPZSA-N 2 1 395.510 3.981 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000581839289 842271778 /nfs/dbraw/zinc/27/17/78/842271778.db2.gz YUHNGOIPVBLNTK-JRGCBEDISA-N 2 1 378.582 3.506 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)C1 ZINC000652349579 842329897 /nfs/dbraw/zinc/32/98/97/842329897.db2.gz TXJOARMWPUHEIU-CLCXKQKWSA-N 2 1 375.513 3.668 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)C1 ZINC000652349580 842330012 /nfs/dbraw/zinc/33/00/12/842330012.db2.gz TXJOARMWPUHEIU-KHYOSLBOSA-N 2 1 375.513 3.668 20 0 GHADMP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512055670 842352424 /nfs/dbraw/zinc/35/24/24/842352424.db2.gz YUZGVDHYIMQDNH-NSHDSACASA-N 2 1 386.334 3.827 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000511909271 842378114 /nfs/dbraw/zinc/37/81/14/842378114.db2.gz IHBSUYOFUFZANW-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000511909271 842378128 /nfs/dbraw/zinc/37/81/28/842378128.db2.gz IHBSUYOFUFZANW-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000511909271 842378140 /nfs/dbraw/zinc/37/81/40/842378140.db2.gz IHBSUYOFUFZANW-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000511917176 842407499 /nfs/dbraw/zinc/40/74/99/842407499.db2.gz SKCQSHHTYGYAFE-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000511917176 842407508 /nfs/dbraw/zinc/40/75/08/842407508.db2.gz SKCQSHHTYGYAFE-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000511917176 842407515 /nfs/dbraw/zinc/40/75/15/842407515.db2.gz SKCQSHHTYGYAFE-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432416103 842426022 /nfs/dbraw/zinc/42/60/22/842426022.db2.gz FQWWRLJGYHQABM-CABCVRRESA-N 2 1 387.337 3.610 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432416103 842426031 /nfs/dbraw/zinc/42/60/31/842426031.db2.gz FQWWRLJGYHQABM-CABCVRRESA-N 2 1 387.337 3.610 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](CC)CC)cc1 ZINC000432435155 842490416 /nfs/dbraw/zinc/49/04/16/842490416.db2.gz POSDNTDPNJXALX-BDTNDASRSA-N 2 1 386.584 3.558 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000247432044 842788250 /nfs/dbraw/zinc/78/82/50/842788250.db2.gz WMOKCJYDOMIPTR-HLAWJBBLSA-N 2 1 398.551 3.577 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000247432044 842788260 /nfs/dbraw/zinc/78/82/60/842788260.db2.gz WMOKCJYDOMIPTR-HLAWJBBLSA-N 2 1 398.551 3.577 20 0 GHADMP [NH3+][C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccc(Cl)c1 ZINC000648165489 842789472 /nfs/dbraw/zinc/78/94/72/842789472.db2.gz ZRTCOVVIMCLSES-OAQYLSRUSA-N 2 1 397.950 3.855 20 0 GHADMP CCCOc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000512182333 842804467 /nfs/dbraw/zinc/80/44/67/842804467.db2.gz RNCTZOLFBPNISZ-KDURUIRLSA-N 2 1 390.568 3.805 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000581964582 842830149 /nfs/dbraw/zinc/83/01/49/842830149.db2.gz RYVSDJQJNBQMRT-QFIPXVFZSA-N 2 1 394.648 3.898 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)[NH+](C)C ZINC000510556341 842957529 /nfs/dbraw/zinc/95/75/29/842957529.db2.gz XPUZDWPXZMDWCM-FIKGOQFSSA-N 2 1 382.552 3.754 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(OC(F)F)c2)[C@@H](c2ccccc2)C1 ZINC000060947447 843024959 /nfs/dbraw/zinc/02/49/59/843024959.db2.gz VXEREEHGNNAODF-OAQYLSRUSA-N 2 1 389.490 3.756 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3oc4ccccc4c3Br)C2)C1 ZINC000662286899 843075048 /nfs/dbraw/zinc/07/50/48/843075048.db2.gz SZFLIKRALKGZKO-VBQJREDUSA-N 2 1 393.325 3.914 20 0 GHADMP Clc1ccc(Cl)c(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662337215 843148386 /nfs/dbraw/zinc/14/83/86/843148386.db2.gz KFECJVYAMDYVJY-CQSZACIVSA-N 2 1 394.350 3.506 20 0 GHADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337609 843149132 /nfs/dbraw/zinc/14/91/32/843149132.db2.gz LXAYZVFTECSTHM-ZBFHGGJFSA-N 2 1 391.922 3.552 20 0 GHADMP C[NH2+][C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662348101 843154720 /nfs/dbraw/zinc/15/47/20/843154720.db2.gz NQWAQAZTFJEPKG-XJKSGUPXSA-N 2 1 386.348 3.735 20 0 GHADMP c1coc(-c2nc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)[nH]n4)CC3)cs2)c1 ZINC000662326870 843154823 /nfs/dbraw/zinc/15/48/23/843154823.db2.gz FSTACTWELCYNMR-UHFFFAOYSA-N 2 1 397.548 3.973 20 0 GHADMP C[NH2+][C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662348099 843155032 /nfs/dbraw/zinc/15/50/32/843155032.db2.gz NQWAQAZTFJEPKG-CJNGLKHVSA-N 2 1 386.348 3.735 20 0 GHADMP COc1ccc(Cl)c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326924 843155314 /nfs/dbraw/zinc/15/53/14/843155314.db2.gz HKUNUJSLGWLIDU-UHFFFAOYSA-N 2 1 388.943 3.918 20 0 GHADMP Clc1ccc2nc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)[nH]n4)CC3)cn2c1 ZINC000662326823 843156090 /nfs/dbraw/zinc/15/60/90/843156090.db2.gz CZHGHQBVCVCAQD-UHFFFAOYSA-N 2 1 398.942 3.557 20 0 GHADMP Clc1ccc2nc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)n[nH]4)CC3)cn2c1 ZINC000662326823 843156108 /nfs/dbraw/zinc/15/61/08/843156108.db2.gz CZHGHQBVCVCAQD-UHFFFAOYSA-N 2 1 398.942 3.557 20 0 GHADMP COc1ccc(Cl)cc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327308 843157315 /nfs/dbraw/zinc/15/73/15/843157315.db2.gz MWBKMERVGOAUOD-UHFFFAOYSA-N 2 1 388.943 3.918 20 0 GHADMP Clc1ccc(OCc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000430913503 843180762 /nfs/dbraw/zinc/18/07/62/843180762.db2.gz VSILVZOWXXEFBK-UHFFFAOYSA-N 2 1 377.941 3.951 20 0 GHADMP CCCN(C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606704172 843185681 /nfs/dbraw/zinc/18/56/81/843185681.db2.gz QLGSVPVIUHWUAV-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000606704172 843185691 /nfs/dbraw/zinc/18/56/91/843185691.db2.gz QLGSVPVIUHWUAV-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662401242 843186142 /nfs/dbraw/zinc/18/61/42/843186142.db2.gz KOAHPBBJUQTDPZ-GOSISDBHSA-N 2 1 386.367 3.833 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662401242 843186146 /nfs/dbraw/zinc/18/61/46/843186146.db2.gz KOAHPBBJUQTDPZ-GOSISDBHSA-N 2 1 386.367 3.833 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000178707992 861399221 /nfs/dbraw/zinc/39/92/21/861399221.db2.gz OOYZNRAPWRJEJF-HNNXBMFYSA-N 2 1 378.923 3.874 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C[C@H](C)O1 ZINC000512278807 843309181 /nfs/dbraw/zinc/30/91/81/843309181.db2.gz KVGSBWSVORNQDD-HYFWNAGYSA-N 3 1 399.623 3.766 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[C@H](C)O1 ZINC000512278807 843309189 /nfs/dbraw/zinc/30/91/89/843309189.db2.gz KVGSBWSVORNQDD-HYFWNAGYSA-N 3 1 399.623 3.766 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H](C)O1 ZINC000512278807 843309196 /nfs/dbraw/zinc/30/91/96/843309196.db2.gz KVGSBWSVORNQDD-HYFWNAGYSA-N 3 1 399.623 3.766 20 0 GHADMP C[C@H]1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC[N@H+]1Cc1ccccc1 ZINC000662482230 843312579 /nfs/dbraw/zinc/31/25/79/843312579.db2.gz JTYLWWQJRJQIBG-CVDCTZTESA-N 2 1 391.559 3.802 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1Cl ZINC000662505521 843350697 /nfs/dbraw/zinc/35/06/97/843350697.db2.gz NLQPYOXFXHDTCA-IXDGSTSKSA-N 2 1 396.362 3.729 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1Cl ZINC000662505521 843350712 /nfs/dbraw/zinc/35/07/12/843350712.db2.gz NLQPYOXFXHDTCA-IXDGSTSKSA-N 2 1 396.362 3.729 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662591429 843425775 /nfs/dbraw/zinc/42/57/75/843425775.db2.gz SUXKXJJNYNVIIY-LEWJYISDSA-N 2 1 398.595 3.731 20 0 GHADMP CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418662839 843511136 /nfs/dbraw/zinc/51/11/36/843511136.db2.gz FJVBMBXVFCRKAX-NXLVEIQXSA-N 2 1 386.584 3.619 20 0 GHADMP CCC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431074577 843564394 /nfs/dbraw/zinc/56/43/94/843564394.db2.gz VZXGSFUXMLFILN-OAQYLSRUSA-N 2 1 389.540 3.557 20 0 GHADMP CCC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431074577 843564402 /nfs/dbraw/zinc/56/44/02/843564402.db2.gz VZXGSFUXMLFILN-OAQYLSRUSA-N 2 1 389.540 3.557 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001167821129 843697460 /nfs/dbraw/zinc/69/74/60/843697460.db2.gz BPDFJASGFGYABM-XJUOHMSHSA-N 2 1 389.584 3.842 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000563130746 843727633 /nfs/dbraw/zinc/72/76/33/843727633.db2.gz UBIAUINOLJIZJQ-CJNGLKHVSA-N 2 1 391.357 3.811 20 0 GHADMP Cc1ccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433194140 843809788 /nfs/dbraw/zinc/80/97/88/843809788.db2.gz VBLQYJSRNWAKCX-UHFFFAOYSA-N 2 1 391.559 3.599 20 0 GHADMP Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411634675 843812332 /nfs/dbraw/zinc/81/23/32/843812332.db2.gz CDUAJQYXQWZMNG-SFHVURJKSA-N 2 1 385.474 3.567 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000432819068 843958984 /nfs/dbraw/zinc/95/89/84/843958984.db2.gz NLDGELHZVPDJRZ-QTEQDKRBSA-N 2 1 383.580 3.729 20 0 GHADMP C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000412065664 843995344 /nfs/dbraw/zinc/99/53/44/843995344.db2.gz CYXCIZDYCSUIPM-BTYSMDAFSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H]1[C@H](CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000412065664 843995349 /nfs/dbraw/zinc/99/53/49/843995349.db2.gz CYXCIZDYCSUIPM-BTYSMDAFSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H]1[C@H](CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000412065664 843995352 /nfs/dbraw/zinc/99/53/52/843995352.db2.gz CYXCIZDYCSUIPM-BTYSMDAFSA-N 2 1 394.987 3.526 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)CCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC000535820245 844660569 /nfs/dbraw/zinc/66/05/69/844660569.db2.gz JSHTXERZBNMVPM-UHFFFAOYSA-N 2 1 381.564 3.866 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512630609 844837782 /nfs/dbraw/zinc/83/77/82/844837782.db2.gz NRPIFZKYLVTEOT-KMDXXIMOSA-N 2 1 391.559 3.779 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000512690012 845045167 /nfs/dbraw/zinc/04/51/67/845045167.db2.gz KRCJGCUIULZCSC-HDICACEKSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000512690012 845045174 /nfs/dbraw/zinc/04/51/74/845045174.db2.gz KRCJGCUIULZCSC-HDICACEKSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C1 ZINC000509913249 845103843 /nfs/dbraw/zinc/10/38/43/845103843.db2.gz OPCSGDXISLLZGS-QGZVFWFLSA-N 2 1 379.504 3.653 20 0 GHADMP CC(C)c1ccc([C@H](CNC(=O)C2([NH3+])CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000236650646 845158631 /nfs/dbraw/zinc/15/86/31/845158631.db2.gz PSOQSDPPCGFVIS-IBGZPJMESA-N 2 1 383.561 3.578 20 0 GHADMP CC(C)c1ccc([C@H](CNC(=O)C2([NH3+])CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000236650646 845158638 /nfs/dbraw/zinc/15/86/38/845158638.db2.gz PSOQSDPPCGFVIS-IBGZPJMESA-N 2 1 383.561 3.578 20 0 GHADMP CCOc1cc2[nH+]ccc(N3CCC([N@H+]4CCCOCC4)CC3)c2cc1OCC ZINC000664010066 845330378 /nfs/dbraw/zinc/33/03/78/845330378.db2.gz RJPJHEZZOBCWCX-UHFFFAOYSA-N 2 1 399.535 3.723 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000513390357 845341949 /nfs/dbraw/zinc/34/19/49/845341949.db2.gz OPSIDCJNRXFRES-NYVOZVTQSA-N 2 1 388.600 3.612 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(Cc2ccccc2)no1 ZINC000179394576 861563077 /nfs/dbraw/zinc/56/30/77/861563077.db2.gz FLUMOXWBUNXHIY-UHFFFAOYSA-N 2 1 391.519 3.794 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(Cc2ccccc2)no1 ZINC000179394576 861563089 /nfs/dbraw/zinc/56/30/89/861563089.db2.gz FLUMOXWBUNXHIY-UHFFFAOYSA-N 2 1 391.519 3.794 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513435254 845435333 /nfs/dbraw/zinc/43/53/33/845435333.db2.gz ROERTYOTGYVYOA-FPOVZHCZSA-N 2 1 388.552 3.715 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513435254 845435339 /nfs/dbraw/zinc/43/53/39/845435339.db2.gz ROERTYOTGYVYOA-FPOVZHCZSA-N 2 1 388.552 3.715 20 0 GHADMP CCC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCOCC1 ZINC000549880423 845438415 /nfs/dbraw/zinc/43/84/15/845438415.db2.gz YGEIELJDMPSIGH-JOCHJYFZSA-N 2 1 386.580 3.712 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCC4CCCCC4)c3)C2)CC1 ZINC000513447176 845439869 /nfs/dbraw/zinc/43/98/69/845439869.db2.gz LSFSDYFIEAYKIB-QHCPKHFHSA-N 2 1 385.596 3.858 20 0 GHADMP C[C@H]1[C@H]([NH+](C)C)CCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000647843827 845537084 /nfs/dbraw/zinc/53/70/84/845537084.db2.gz HOLGUUAFVUJAJH-MAUKXSAKSA-N 2 1 395.576 3.949 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513506102 845544016 /nfs/dbraw/zinc/54/40/16/845544016.db2.gz OCOVPOZXFIBGNF-DENIHFKCSA-N 2 1 375.520 3.658 20 0 GHADMP CC1CCC(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000433174794 845589503 /nfs/dbraw/zinc/58/95/03/845589503.db2.gz LWRZYIXWPVHZGW-UHFFFAOYSA-N 2 1 383.580 3.669 20 0 GHADMP COc1cc(C[NH+]2CCC[C@](C)(OC)C2)cc(C[N@H+]2CCC[C@](C)(OC)C2)c1 ZINC000433181450 845618919 /nfs/dbraw/zinc/61/89/19/845618919.db2.gz JZHCKSLYQQPQEX-GOTSBHOMSA-N 2 1 390.568 3.697 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1Br ZINC000157099698 845848113 /nfs/dbraw/zinc/84/81/13/845848113.db2.gz GTAVKFCUSMFONR-MRXNPFEDSA-N 2 1 394.357 3.728 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4ccccc4cc3OC)CC2)CC1 ZINC000421375978 846188779 /nfs/dbraw/zinc/18/87/79/846188779.db2.gz PRCARIIQUMIPQU-UHFFFAOYSA-N 2 1 381.564 3.840 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(-c4cccs4)s3)CC2)CC1 ZINC000421382544 846199057 /nfs/dbraw/zinc/19/90/57/846199057.db2.gz XYXLYROENVHGDE-UHFFFAOYSA-N 2 1 390.622 3.864 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072092409 846408010 /nfs/dbraw/zinc/40/80/10/846408010.db2.gz SARZMWFXSUBNHF-HSZRJFAPSA-N 2 1 379.548 3.761 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502747347 846427959 /nfs/dbraw/zinc/42/79/59/846427959.db2.gz DYFRKGHILYODBG-OALUTQOASA-N 2 1 397.567 3.790 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000280708841 846505046 /nfs/dbraw/zinc/50/50/46/846505046.db2.gz BEJAIAISKBZAIC-UHFFFAOYSA-N 2 1 395.547 3.917 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000502858151 846554116 /nfs/dbraw/zinc/55/41/16/846554116.db2.gz HOFQVFDQWWNBJQ-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000502858151 846554122 /nfs/dbraw/zinc/55/41/22/846554122.db2.gz HOFQVFDQWWNBJQ-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000502858151 846554127 /nfs/dbraw/zinc/55/41/27/846554127.db2.gz HOFQVFDQWWNBJQ-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045905 846570615 /nfs/dbraw/zinc/57/06/15/846570615.db2.gz OIECECOADJGZFF-IBGZPJMESA-N 2 1 392.547 3.598 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501045212 846571811 /nfs/dbraw/zinc/57/18/11/846571811.db2.gz LZABQCKAJOBKSM-IBGZPJMESA-N 2 1 394.563 3.670 20 0 GHADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1c1ccccc1I ZINC000502866749 846572601 /nfs/dbraw/zinc/57/26/01/846572601.db2.gz GGPTXBWIYPMNJO-RHSMWYFYSA-N 2 1 384.305 3.912 20 0 GHADMP CC1CCC(N(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)C2CC2)CC1 ZINC000501050919 846578094 /nfs/dbraw/zinc/57/80/94/846578094.db2.gz MFTKRMVYIDWJKW-UHFFFAOYSA-N 2 1 398.595 3.800 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000429133441 861706897 /nfs/dbraw/zinc/70/68/97/861706897.db2.gz HLADITMNWAHLES-FQEVSTJZSA-N 2 1 382.017 3.923 20 0 GHADMP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1OCCc2sccc21 ZINC000429130076 861713573 /nfs/dbraw/zinc/71/35/73/861713573.db2.gz BYDBCOZBNQTVGK-JLMWRMLUSA-N 2 1 386.561 3.631 20 0 GHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1OCCc2sccc21 ZINC000429130076 861713580 /nfs/dbraw/zinc/71/35/80/861713580.db2.gz BYDBCOZBNQTVGK-JLMWRMLUSA-N 2 1 386.561 3.631 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4sccc4CC3(C)C)CC2)CC1 ZINC000582311418 846822235 /nfs/dbraw/zinc/82/22/35/846822235.db2.gz MOJMYLZXNPGIRH-UHFFFAOYSA-N 2 1 389.609 3.608 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000501321228 846832613 /nfs/dbraw/zinc/83/26/13/846832613.db2.gz KEORVHPQXWCFSZ-DNVJHFABSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501321228 846832619 /nfs/dbraw/zinc/83/26/19/846832619.db2.gz KEORVHPQXWCFSZ-DNVJHFABSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501321228 846832627 /nfs/dbraw/zinc/83/26/27/846832627.db2.gz KEORVHPQXWCFSZ-DNVJHFABSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCCC1)c1ccccc1 ZINC000503151521 846845174 /nfs/dbraw/zinc/84/51/74/846845174.db2.gz LFPQIQQQLKCZAN-ICSRJNTNSA-N 2 1 398.551 3.845 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657398805 846928107 /nfs/dbraw/zinc/92/81/07/846928107.db2.gz NGYZRFPNKRSDKE-GJZGRUSLSA-N 2 1 380.458 3.685 20 0 GHADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559894756 846958509 /nfs/dbraw/zinc/95/85/09/846958509.db2.gz VLYRABWXGCOPOF-RBBKRZOGSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1ccnc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559894756 846958518 /nfs/dbraw/zinc/95/85/18/846958518.db2.gz VLYRABWXGCOPOF-RBBKRZOGSA-N 2 1 379.548 3.969 20 0 GHADMP C[C@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272534940 847103991 /nfs/dbraw/zinc/10/39/91/847103991.db2.gz PGIGSROAFIWUSR-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCCc2cc(-c3ccccc3)no2)cc1 ZINC000420300836 847104598 /nfs/dbraw/zinc/10/45/98/847104598.db2.gz KTNHLTNXPORZEZ-FQEVSTJZSA-N 2 1 379.504 3.957 20 0 GHADMP C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272613611 847125408 /nfs/dbraw/zinc/12/54/08/847125408.db2.gz WVAWKBQMGYFEEH-IEBWSBKVSA-N 2 1 383.502 3.903 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000420330509 847127041 /nfs/dbraw/zinc/12/70/41/847127041.db2.gz APVOYXJLMUWQJP-QHCPKHFHSA-N 2 1 393.531 3.668 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-n2cccn2)cc1 ZINC000272720850 847155161 /nfs/dbraw/zinc/15/51/61/847155161.db2.gz FJHMEXBPPRIHHA-YADARESESA-N 2 1 390.531 3.680 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)sc2C1 ZINC000273070961 847244322 /nfs/dbraw/zinc/24/43/22/847244322.db2.gz VNVZHWPYFHOFIW-UHFFFAOYSA-N 2 1 398.532 3.970 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)sc2C1 ZINC000273070961 847244335 /nfs/dbraw/zinc/24/43/35/847244335.db2.gz VNVZHWPYFHOFIW-UHFFFAOYSA-N 2 1 398.532 3.970 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(C2CCCC2)ns1 ZINC000420595861 847331694 /nfs/dbraw/zinc/33/16/94/847331694.db2.gz GUMADJFNCQPDED-UHFFFAOYSA-N 2 1 391.629 3.828 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894269534 847351529 /nfs/dbraw/zinc/35/15/29/847351529.db2.gz UDNFJJJGIFONLQ-UFYCRDLUSA-N 2 1 376.516 3.510 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894269534 847351538 /nfs/dbraw/zinc/35/15/38/847351538.db2.gz UDNFJJJGIFONLQ-UFYCRDLUSA-N 2 1 376.516 3.510 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000237133452 847418036 /nfs/dbraw/zinc/41/80/36/847418036.db2.gz DIPLNMKARQBNLE-QHCPKHFHSA-N 2 1 391.559 3.537 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000420778943 847425546 /nfs/dbraw/zinc/42/55/46/847425546.db2.gz JZZJVBCBVOCVLV-XTWGIRIWSA-N 2 1 386.584 3.733 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](OC)c3ccc(Cl)cc3)CC2)CC1 ZINC000420976535 847604829 /nfs/dbraw/zinc/60/48/29/847604829.db2.gz HFCHUNRMXYKGTQ-NRFANRHFSA-N 2 1 379.976 3.520 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000420979964 847605597 /nfs/dbraw/zinc/60/55/97/847605597.db2.gz LEROGWPFBIPBJF-UHFFFAOYSA-N 2 1 399.501 3.576 20 0 GHADMP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503404534 847668691 /nfs/dbraw/zinc/66/86/91/847668691.db2.gz GYJJDYFOABTBAY-UYAOXDASSA-N 2 1 392.547 3.767 20 0 GHADMP C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503404534 847668697 /nfs/dbraw/zinc/66/86/97/847668697.db2.gz GYJJDYFOABTBAY-UYAOXDASSA-N 2 1 392.547 3.767 20 0 GHADMP Fc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)c1 ZINC000422765065 847825052 /nfs/dbraw/zinc/82/50/52/847825052.db2.gz QCGWLRIVOJRHON-PKOBYXMFSA-N 2 1 391.284 3.934 20 0 GHADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[C@H](N)c4ccccc43)CC2)c1 ZINC000422805474 847831595 /nfs/dbraw/zinc/83/15/95/847831595.db2.gz GZLLJHZQBJPYLM-ZEQRLZLVSA-N 2 1 378.564 3.632 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000502387683 847833716 /nfs/dbraw/zinc/83/37/16/847833716.db2.gz BYEWAYIULMUHKU-NSHGMRRFSA-N 2 1 384.568 3.588 20 0 GHADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422793241 847838598 /nfs/dbraw/zinc/83/85/98/847838598.db2.gz WSYMUWOMFADPSC-VWNXMTODSA-N 2 1 379.548 3.874 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831362 847844742 /nfs/dbraw/zinc/84/47/42/847844742.db2.gz DXOKZKWTRFTDAE-AAIMPIBUSA-N 3 1 397.588 3.806 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831362 847844747 /nfs/dbraw/zinc/84/47/47/847844747.db2.gz DXOKZKWTRFTDAE-AAIMPIBUSA-N 3 1 397.588 3.806 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831362 847844753 /nfs/dbraw/zinc/84/47/53/847844753.db2.gz DXOKZKWTRFTDAE-AAIMPIBUSA-N 2 1 397.588 3.806 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)c1 ZINC000422831362 847844757 /nfs/dbraw/zinc/84/47/57/847844757.db2.gz DXOKZKWTRFTDAE-AAIMPIBUSA-N 2 1 397.588 3.806 20 0 GHADMP C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1c[nH+]ccc1N ZINC000422876260 847864477 /nfs/dbraw/zinc/86/44/77/847864477.db2.gz FJCSQCRDJDZCIM-CQSZACIVSA-N 2 1 390.325 3.656 20 0 GHADMP Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000422885472 847870960 /nfs/dbraw/zinc/87/09/60/847870960.db2.gz YVFQQGGNKWTTBX-RTWAWAEBSA-N 2 1 381.520 3.762 20 0 GHADMP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422873984 847876013 /nfs/dbraw/zinc/87/60/13/847876013.db2.gz MWRSAKMQWBBTOJ-AEGPPILISA-N 2 1 395.277 3.842 20 0 GHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000502450864 847896740 /nfs/dbraw/zinc/89/67/40/847896740.db2.gz IRZHFRDLNYIEAQ-MRXNPFEDSA-N 2 1 398.551 3.609 20 0 GHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1cccnc1OC1CCCC1 ZINC000582719526 848135375 /nfs/dbraw/zinc/13/53/75/848135375.db2.gz DBEGDSWSMSEZHC-NZQKXSOJSA-N 2 1 379.504 3.749 20 0 GHADMP CCO[C@@H](C[NH+]1CCCC2(CCC[N@H+](C[C@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434258 861874924 /nfs/dbraw/zinc/87/49/24/861874924.db2.gz LGAIBVDFPMFQQG-OJSMNCEXSA-N 2 1 378.601 3.795 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3OC3CCCC3)cc2)C1 ZINC000657596384 848290410 /nfs/dbraw/zinc/29/04/10/848290410.db2.gz VTYWUPZMCARDBW-QFIPXVFZSA-N 2 1 380.532 3.864 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000582782930 848363566 /nfs/dbraw/zinc/36/35/66/848363566.db2.gz GDTRGQUZJMMJKJ-RMYQPGKMSA-N 2 1 379.495 3.512 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000582782930 848363577 /nfs/dbraw/zinc/36/35/77/848363577.db2.gz GDTRGQUZJMMJKJ-RMYQPGKMSA-N 2 1 379.495 3.512 20 0 GHADMP C[C@H](O)C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000121538973 848780498 /nfs/dbraw/zinc/78/04/98/848780498.db2.gz UPLUNNVIQXVPFY-UGKGYDQZSA-N 2 1 384.539 3.977 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-n4ccnc4)cc3)CC2)nc(C)[nH+]1 ZINC000162287121 848880227 /nfs/dbraw/zinc/88/02/27/848880227.db2.gz OVXAXBMJXRLAFB-QGZVFWFLSA-N 2 1 376.508 3.599 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000583028762 848911980 /nfs/dbraw/zinc/91/19/80/848911980.db2.gz ULIPOZLDDQYTFO-IVMMDQJWSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@@H]21 ZINC000583028762 848911992 /nfs/dbraw/zinc/91/19/92/848911992.db2.gz ULIPOZLDDQYTFO-IVMMDQJWSA-N 2 1 376.298 3.663 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000604195598 861961992 /nfs/dbraw/zinc/96/19/92/861961992.db2.gz OVXVSHUALLSZJT-OAQYLSRUSA-N 2 1 396.579 3.589 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000162717549 849383047 /nfs/dbraw/zinc/38/30/47/849383047.db2.gz RCTPURRKBUVHGO-MRXNPFEDSA-N 2 1 384.524 3.813 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000472286642 849763803 /nfs/dbraw/zinc/76/38/03/849763803.db2.gz JVNBCJVGIJXJQS-FUHWJXTLSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000472286642 849763814 /nfs/dbraw/zinc/76/38/14/849763814.db2.gz JVNBCJVGIJXJQS-FUHWJXTLSA-N 2 1 390.503 3.678 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)[C@H](C)C1 ZINC000503913532 849773037 /nfs/dbraw/zinc/77/30/37/849773037.db2.gz WCAWQQSABPUZIK-VELGLUOQSA-N 2 1 378.532 3.807 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000504038982 849850201 /nfs/dbraw/zinc/85/02/01/849850201.db2.gz FKBCTADHTPNMIZ-RBDMOPTHSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000504038982 849850205 /nfs/dbraw/zinc/85/02/05/849850205.db2.gz FKBCTADHTPNMIZ-RBDMOPTHSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000504038982 849850216 /nfs/dbraw/zinc/85/02/16/849850216.db2.gz FKBCTADHTPNMIZ-RBDMOPTHSA-N 2 1 393.522 3.869 20 0 GHADMP CC(C)[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000504038982 849850220 /nfs/dbraw/zinc/85/02/20/849850220.db2.gz FKBCTADHTPNMIZ-RBDMOPTHSA-N 2 1 393.522 3.869 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423364186 849886453 /nfs/dbraw/zinc/88/64/53/849886453.db2.gz JSNKAKMWCYMRIN-NEKRLJHISA-N 2 1 380.479 3.512 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccccn2)CC1 ZINC000899877593 862069841 /nfs/dbraw/zinc/06/98/41/862069841.db2.gz HMXCMKILUKSNBT-UHFFFAOYSA-N 2 1 388.393 3.851 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128302 849925267 /nfs/dbraw/zinc/92/52/67/849925267.db2.gz LMDQNIXJYCOEAZ-LEWJYISDSA-N 2 1 390.547 3.525 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423509029 849960565 /nfs/dbraw/zinc/96/05/65/849960565.db2.gz LDFHIANXIOQYNX-LBXVMSDZSA-N 2 1 377.960 3.668 20 0 GHADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cnn(C2CCCC2)c1 ZINC000423541757 849974373 /nfs/dbraw/zinc/97/43/73/849974373.db2.gz AUKGNZWIHNHDIR-IBGZPJMESA-N 2 1 381.568 3.642 20 0 GHADMP CCOC(=O)COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000435049909 850022910 /nfs/dbraw/zinc/02/29/10/850022910.db2.gz TVQVRBMFCSWGGO-UHFFFAOYSA-N 2 1 397.519 3.541 20 0 GHADMP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000423754129 850044142 /nfs/dbraw/zinc/04/41/42/850044142.db2.gz YIDGCBIKJVDATD-KXBFYZLASA-N 2 1 397.485 3.516 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638628036 850076297 /nfs/dbraw/zinc/07/62/97/850076297.db2.gz JLJFIZHGSASCFU-UPVQGACJSA-N 2 1 391.559 3.889 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638628036 850076310 /nfs/dbraw/zinc/07/63/10/850076310.db2.gz JLJFIZHGSASCFU-UPVQGACJSA-N 2 1 391.559 3.889 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000711486981 850092713 /nfs/dbraw/zinc/09/27/13/850092713.db2.gz ZJNDXJXUSIDRPH-MJUUVYJYSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000711486981 850092717 /nfs/dbraw/zinc/09/27/17/850092717.db2.gz ZJNDXJXUSIDRPH-MJUUVYJYSA-N 2 1 387.568 3.932 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c1)O[C@H](C)C2 ZINC000415003430 850212162 /nfs/dbraw/zinc/21/21/62/850212162.db2.gz NAAGCGXQZZRMFX-QOEFQVSFSA-N 2 1 384.495 3.641 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958499 850273996 /nfs/dbraw/zinc/27/39/96/850273996.db2.gz GAHOWQKYINMNQU-MJIXASBWSA-N 2 1 377.573 3.817 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)CCN1C ZINC000424285421 850354430 /nfs/dbraw/zinc/35/44/30/850354430.db2.gz DXOVVAZHKUQUQI-HZMBPMFUSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)CC[N@@H+]1C ZINC000424285421 850354434 /nfs/dbraw/zinc/35/44/34/850354434.db2.gz DXOVVAZHKUQUQI-HZMBPMFUSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(I)c2)CC[N@H+]1C ZINC000424285421 850354445 /nfs/dbraw/zinc/35/44/45/850354445.db2.gz DXOVVAZHKUQUQI-HZMBPMFUSA-N 2 1 378.685 3.517 20 0 GHADMP FC(F)(F)C(F)(F)COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000514831631 850362557 /nfs/dbraw/zinc/36/25/57/850362557.db2.gz PBLUQKMPEMEOLD-IRXDYDNUSA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000514831631 850362571 /nfs/dbraw/zinc/36/25/71/850362571.db2.gz PBLUQKMPEMEOLD-IRXDYDNUSA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000514831631 850362580 /nfs/dbraw/zinc/36/25/80/850362580.db2.gz PBLUQKMPEMEOLD-IRXDYDNUSA-N 2 1 392.412 3.655 20 0 GHADMP FC(F)(F)C(F)(F)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000514831631 850362582 /nfs/dbraw/zinc/36/25/82/850362582.db2.gz PBLUQKMPEMEOLD-IRXDYDNUSA-N 2 1 392.412 3.655 20 0 GHADMP CC1(C)C[NH+](CCCCC[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000514831068 850363718 /nfs/dbraw/zinc/36/37/18/850363718.db2.gz GZVNDFWVFMZCJH-TUFLPTIASA-N 2 1 378.601 3.936 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000487030411 850378919 /nfs/dbraw/zinc/37/89/19/850378919.db2.gz IMOVBGCVQPSIHV-OAQYLSRUSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000424425245 850459395 /nfs/dbraw/zinc/45/93/95/850459395.db2.gz JKVXEPLQNCPPNU-QUCCMNQESA-N 2 1 380.536 3.876 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000424425243 850459802 /nfs/dbraw/zinc/45/98/02/850459802.db2.gz JKVXEPLQNCPPNU-ICSRJNTNSA-N 2 1 380.536 3.876 20 0 GHADMP COc1cc(F)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1OC ZINC000481723490 862132058 /nfs/dbraw/zinc/13/20/58/862132058.db2.gz DUOBJSUSNXLSHV-HNNXBMFYSA-N 2 1 376.472 3.634 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965364 850518462 /nfs/dbraw/zinc/51/84/62/850518462.db2.gz CETYBUINIVTUSC-SOUXKNCUSA-N 2 1 377.573 3.629 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000515054374 850632120 /nfs/dbraw/zinc/63/21/20/850632120.db2.gz FVHYSVCKKRACFG-FOIQADDNSA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000515054374 850632126 /nfs/dbraw/zinc/63/21/26/850632126.db2.gz FVHYSVCKKRACFG-FOIQADDNSA-N 2 1 375.513 3.889 20 0 GHADMP COc1cccc2c1CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC2 ZINC000426565460 850765706 /nfs/dbraw/zinc/76/57/06/850765706.db2.gz NKKDUOUXNUSFBM-UHFFFAOYSA-N 2 1 393.575 3.826 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435692432 850772382 /nfs/dbraw/zinc/77/23/82/850772382.db2.gz JULHLMMODLSCKA-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435692432 850772389 /nfs/dbraw/zinc/77/23/89/850772389.db2.gz JULHLMMODLSCKA-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435865923 850940568 /nfs/dbraw/zinc/94/05/68/850940568.db2.gz DUBSCJVHLAJWMP-WOJBJXKFSA-N 2 1 388.556 3.513 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)C1 ZINC000519353465 850962819 /nfs/dbraw/zinc/96/28/19/850962819.db2.gz NAQYNNSDZUPHOT-NFBKMPQASA-N 2 1 398.595 3.688 20 0 GHADMP Cn1c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000415013648 851148286 /nfs/dbraw/zinc/14/82/86/851148286.db2.gz YSXXHOBMWYJZES-MAUKXSAKSA-N 2 1 386.902 3.849 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1(C)C ZINC000555933682 862220774 /nfs/dbraw/zinc/22/07/74/862220774.db2.gz RMFLGMLVHLFMCW-UHFFFAOYSA-N 2 1 378.973 3.579 20 0 GHADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000488172394 851223973 /nfs/dbraw/zinc/22/39/73/851223973.db2.gz VOHJKQQMDXPUDV-JTAQYXEDSA-N 2 1 398.595 3.544 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000488178424 851230418 /nfs/dbraw/zinc/23/04/18/851230418.db2.gz FXFZZBONJHKMEU-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000514106295 851245831 /nfs/dbraw/zinc/24/58/31/851245831.db2.gz XHXWDOCQLMUPNL-QGZVFWFLSA-N 2 1 379.504 3.641 20 0 GHADMP COC(=O)c1ccc(Br)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000514130003 851271174 /nfs/dbraw/zinc/27/11/74/851271174.db2.gz FDRGFSDWOUSEQL-UHFFFAOYSA-N 2 1 397.357 3.790 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000515644585 851302410 /nfs/dbraw/zinc/30/24/10/851302410.db2.gz BNGNZOAJZVMLDH-PTQKKHHLSA-N 2 1 391.506 3.526 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000515644585 851302415 /nfs/dbraw/zinc/30/24/15/851302415.db2.gz BNGNZOAJZVMLDH-PTQKKHHLSA-N 2 1 391.506 3.526 20 0 GHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488286411 851352143 /nfs/dbraw/zinc/35/21/43/851352143.db2.gz ACKLSFDASOFEAI-UHFFFAOYSA-N 2 1 396.510 3.570 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC000436300698 851436695 /nfs/dbraw/zinc/43/66/95/851436695.db2.gz VWDCHIINBLCMQS-IEMWQLIPSA-N 2 1 381.564 3.563 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000519552304 851525035 /nfs/dbraw/zinc/52/50/35/851525035.db2.gz ZPRZCCCFZAWJCJ-JAXLGGSGSA-N 2 1 387.474 3.695 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000519552304 851525045 /nfs/dbraw/zinc/52/50/45/851525045.db2.gz ZPRZCCCFZAWJCJ-JAXLGGSGSA-N 2 1 387.474 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000488511797 851575540 /nfs/dbraw/zinc/57/55/40/851575540.db2.gz HOEPHJSPFMCQRH-KJXAQDMKSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000488511797 851575547 /nfs/dbraw/zinc/57/55/47/851575547.db2.gz HOEPHJSPFMCQRH-KJXAQDMKSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000488511797 851575560 /nfs/dbraw/zinc/57/55/60/851575560.db2.gz HOEPHJSPFMCQRH-KJXAQDMKSA-N 2 1 383.580 3.668 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)c1cccc(F)c1 ZINC001167975283 851775473 /nfs/dbraw/zinc/77/54/73/851775473.db2.gz NOMQGHKNTDQNOL-CKSHBVQHSA-N 2 1 399.554 3.862 20 0 GHADMP CC1(C)C[N@@H+](C[C@H]2CCNC(=O)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835730 851792992 /nfs/dbraw/zinc/79/29/92/851792992.db2.gz GNTIXCDWUWUZGJ-OFNKIYASSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000489079003 851985650 /nfs/dbraw/zinc/98/56/50/851985650.db2.gz SEKSGUCJLSKWBU-RBUKOAKNSA-N 2 1 386.584 3.632 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000517511485 852062755 /nfs/dbraw/zinc/06/27/55/852062755.db2.gz ZSGSQNKQAGYFLQ-KNQAVFIVSA-N 2 1 380.621 3.650 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1C(F)(F)F ZINC000517556998 852095288 /nfs/dbraw/zinc/09/52/88/852095288.db2.gz ZGBVEDFGXXSNKZ-AZUAARDMSA-N 2 1 392.465 3.721 20 0 GHADMP Cc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)sc2cccc(F)c12 ZINC000517652714 852208752 /nfs/dbraw/zinc/20/87/52/852208752.db2.gz UGIPXORVFPIDDN-UHFFFAOYSA-N 2 1 384.480 3.748 20 0 GHADMP Cc1ccc(SCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC000517650808 852227738 /nfs/dbraw/zinc/22/77/38/852227738.db2.gz HINQAHMHATUFHR-UHFFFAOYSA-N 2 1 384.549 3.571 20 0 GHADMP COc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550271819 852244725 /nfs/dbraw/zinc/24/47/25/852244725.db2.gz XTAOMNACTFXGRO-QFIPXVFZSA-N 2 1 380.532 3.714 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)c2)cc1 ZINC000516215293 852302508 /nfs/dbraw/zinc/30/25/08/852302508.db2.gz OMRPKTDRLWCOTI-HTAPYJJXSA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@@H]3C)c2)cc1 ZINC000516215293 852302520 /nfs/dbraw/zinc/30/25/20/852302520.db2.gz OMRPKTDRLWCOTI-HTAPYJJXSA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000516215293 852302527 /nfs/dbraw/zinc/30/25/27/852302527.db2.gz OMRPKTDRLWCOTI-HTAPYJJXSA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000516215293 852302541 /nfs/dbraw/zinc/30/25/41/852302541.db2.gz OMRPKTDRLWCOTI-HTAPYJJXSA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)c2)cc1 ZINC000516215294 852302589 /nfs/dbraw/zinc/30/25/89/852302589.db2.gz OMRPKTDRLWCOTI-JTSKRJEESA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@H]3CC[NH+](C)C[C@@H]3C)c2)cc1 ZINC000516215294 852302597 /nfs/dbraw/zinc/30/25/97/852302597.db2.gz OMRPKTDRLWCOTI-JTSKRJEESA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@H]3CC[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000516215294 852302607 /nfs/dbraw/zinc/30/26/07/852302607.db2.gz OMRPKTDRLWCOTI-JTSKRJEESA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@H]3CC[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000516215294 852302612 /nfs/dbraw/zinc/30/26/12/852302612.db2.gz OMRPKTDRLWCOTI-JTSKRJEESA-N 2 1 381.520 3.720 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000506921297 852338468 /nfs/dbraw/zinc/33/84/68/852338468.db2.gz IBISJQNUBVXCRU-HBFSDRIKSA-N 2 1 392.613 3.647 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489438948 852342094 /nfs/dbraw/zinc/34/20/94/852342094.db2.gz HVGGFGVIDILYFF-RBBKRZOGSA-N 2 1 388.600 3.705 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506946794 852392414 /nfs/dbraw/zinc/39/24/14/852392414.db2.gz BWVBXQYWBSPCIM-LILSUDLASA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506946794 852392426 /nfs/dbraw/zinc/39/24/26/852392426.db2.gz BWVBXQYWBSPCIM-LILSUDLASA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506946794 852392433 /nfs/dbraw/zinc/39/24/33/852392433.db2.gz BWVBXQYWBSPCIM-LILSUDLASA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000489604108 852481860 /nfs/dbraw/zinc/48/18/60/852481860.db2.gz MOYJACKFJRTTQJ-GIVPXCGWSA-N 2 1 388.600 3.563 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000516389744 852504461 /nfs/dbraw/zinc/50/44/61/852504461.db2.gz GDQQDBDJCIDQGR-QHCPKHFHSA-N 2 1 377.532 3.563 20 0 GHADMP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489677681 852526476 /nfs/dbraw/zinc/52/64/76/852526476.db2.gz LCSMSZUOBLSAHO-OAQYLSRUSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489679831 852527206 /nfs/dbraw/zinc/52/72/06/852527206.db2.gz QEZNGXUQLLHZAK-FQEVSTJZSA-N 2 1 391.559 3.808 20 0 GHADMP Cc1ccc(C[C@H](C)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000489708834 852538171 /nfs/dbraw/zinc/53/81/71/852538171.db2.gz AOAVHZMKBCKZPK-NKKJXINNSA-N 2 1 399.623 3.969 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1)C1CC1 ZINC000438538042 852550688 /nfs/dbraw/zinc/55/06/88/852550688.db2.gz UULNWZWDORQGEL-UHFFFAOYSA-N 2 1 385.577 3.936 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)c1ccccc1 ZINC000489903875 852636344 /nfs/dbraw/zinc/63/63/44/852636344.db2.gz HSUCNMKHCHHNTL-GHTZIAJQSA-N 2 1 385.577 3.769 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000489903875 852636348 /nfs/dbraw/zinc/63/63/48/852636348.db2.gz HSUCNMKHCHHNTL-GHTZIAJQSA-N 2 1 385.577 3.769 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000489903875 852636351 /nfs/dbraw/zinc/63/63/51/852636351.db2.gz HSUCNMKHCHHNTL-GHTZIAJQSA-N 2 1 385.577 3.769 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000489980034 852703978 /nfs/dbraw/zinc/70/39/78/852703978.db2.gz JJHDHCDEWMQLFX-XMMPIXPASA-N 2 1 391.559 3.729 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000489980034 852703985 /nfs/dbraw/zinc/70/39/85/852703985.db2.gz JJHDHCDEWMQLFX-XMMPIXPASA-N 2 1 391.559 3.729 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000489980034 852703994 /nfs/dbraw/zinc/70/39/94/852703994.db2.gz JJHDHCDEWMQLFX-XMMPIXPASA-N 2 1 391.559 3.729 20 0 GHADMP Cc1cccc2c1ncnc2N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000490121080 852778478 /nfs/dbraw/zinc/77/84/78/852778478.db2.gz SMXNMIMANYZCGT-UHFFFAOYSA-N 2 1 381.568 3.571 20 0 GHADMP CC(C)Cn1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c2ccccc21 ZINC000516624986 852783533 /nfs/dbraw/zinc/78/35/33/852783533.db2.gz HXURMHGTBUSZQB-UHFFFAOYSA-N 2 1 391.519 3.696 20 0 GHADMP C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490249927 852867524 /nfs/dbraw/zinc/86/75/24/852867524.db2.gz QSOYURIWFHXDOB-AEFFLSMTSA-N 2 1 391.357 3.536 20 0 GHADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](CC)CC ZINC000469534952 852903008 /nfs/dbraw/zinc/90/30/08/852903008.db2.gz GNAFGBBYOAWEMX-QZTJIDSGSA-N 2 1 385.474 3.516 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1O ZINC000426173338 852917608 /nfs/dbraw/zinc/91/76/08/852917608.db2.gz STNUWIXGGUXSJD-GOSISDBHSA-N 2 1 390.568 3.735 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000516730137 852941734 /nfs/dbraw/zinc/94/17/34/852941734.db2.gz GVKGCVKRNHZABV-GOSISDBHSA-N 2 1 391.519 3.708 20 0 GHADMP CCOc1cc(F)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(F)c1 ZINC001143564483 852966975 /nfs/dbraw/zinc/96/69/75/852966975.db2.gz CXFRYQYUFSMMLB-UHFFFAOYSA-N 2 1 382.495 3.688 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(Br)c1OC(F)F ZINC000414962213 853019089 /nfs/dbraw/zinc/01/90/89/853019089.db2.gz SHXBNSUYNUGNQB-ZWNOBZJWSA-N 2 1 393.272 3.537 20 0 GHADMP O=C1N(CC2CCCC2)CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167986396 853081413 /nfs/dbraw/zinc/08/14/13/853081413.db2.gz DLCAJPNTQKSHAO-AIZNXBIQSA-N 2 1 399.623 3.897 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000519652068 853358313 /nfs/dbraw/zinc/35/83/13/853358313.db2.gz QXUSXDCKPRSEPL-JOCHJYFZSA-N 2 1 391.515 3.645 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437660618 853391284 /nfs/dbraw/zinc/39/12/84/853391284.db2.gz GQZFVTKLHQDSBS-OAQYLSRUSA-N 2 1 378.605 3.595 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000519720243 853405060 /nfs/dbraw/zinc/40/50/60/853405060.db2.gz YZHKTHFINLEOCQ-RDTXWAMCSA-N 2 1 391.357 3.927 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000519720243 853405070 /nfs/dbraw/zinc/40/50/70/853405070.db2.gz YZHKTHFINLEOCQ-RDTXWAMCSA-N 2 1 391.357 3.927 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CCCC1 ZINC000517142622 853432818 /nfs/dbraw/zinc/43/28/18/853432818.db2.gz OTWLKQRVDMQHJP-FQEVSTJZSA-N 2 1 392.975 3.651 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000439215802 853434689 /nfs/dbraw/zinc/43/46/89/853434689.db2.gz WCEZXXUEBXZREL-PTUXOGIPSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000439215802 853434697 /nfs/dbraw/zinc/43/46/97/853434697.db2.gz WCEZXXUEBXZREL-PTUXOGIPSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000439215802 853434704 /nfs/dbraw/zinc/43/47/04/853434704.db2.gz WCEZXXUEBXZREL-PTUXOGIPSA-N 2 1 398.595 3.829 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CCn3cc[nH+]c3C(C)C)C2)s1 ZINC000519792659 853474426 /nfs/dbraw/zinc/47/44/26/853474426.db2.gz PNIDVSNYPUQHCY-SFHVURJKSA-N 2 1 388.581 3.747 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCn3cc[nH+]c3C(C)C)C2)s1 ZINC000519792659 853474434 /nfs/dbraw/zinc/47/44/34/853474434.db2.gz PNIDVSNYPUQHCY-SFHVURJKSA-N 2 1 388.581 3.747 20 0 GHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Br)cc1 ZINC000604773653 862468321 /nfs/dbraw/zinc/46/83/21/862468321.db2.gz WELGNZGGBWNSIN-CZUORRHYSA-N 2 1 384.362 3.732 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)O1 ZINC001167988123 853493661 /nfs/dbraw/zinc/49/36/61/853493661.db2.gz IENNIUCRRSGKHV-HXBIPVJWSA-N 2 1 376.585 3.686 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)O1 ZINC001167988123 853493669 /nfs/dbraw/zinc/49/36/69/853493669.db2.gz IENNIUCRRSGKHV-HXBIPVJWSA-N 2 1 376.585 3.686 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)O1 ZINC001167988123 853493676 /nfs/dbraw/zinc/49/36/76/853493676.db2.gz IENNIUCRRSGKHV-HXBIPVJWSA-N 2 1 376.585 3.686 20 0 GHADMP COc1ccc(C(F)(F)F)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145337 853720511 /nfs/dbraw/zinc/72/05/11/853720511.db2.gz PVKJGLHWJZQCPU-AWEZNQCLSA-N 2 1 386.418 3.932 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)c2cccs2)CC1 ZINC000518747546 853724807 /nfs/dbraw/zinc/72/48/07/853724807.db2.gz JQRIZSLBERCHSX-QGZVFWFLSA-N 2 1 383.483 3.845 20 0 GHADMP O=C(c1ccsc1)N1CCC2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001168378206 853754367 /nfs/dbraw/zinc/75/43/67/853754367.db2.gz QZZDJGNJAWRREU-UHFFFAOYSA-N 2 1 387.593 3.551 20 0 GHADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(C(F)(F)F)c1 ZINC000520172490 853915088 /nfs/dbraw/zinc/91/50/88/853915088.db2.gz KFCGIIRHIHNEPF-UHFFFAOYSA-N 2 1 397.485 3.659 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C[N@H+]1C1CC1 ZINC000441183922 853988683 /nfs/dbraw/zinc/98/86/83/853988683.db2.gz TYGZALSUMYKVHB-NQIIRXRSSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[NH+]1C1CC1 ZINC000441183922 853988694 /nfs/dbraw/zinc/98/86/94/853988694.db2.gz TYGZALSUMYKVHB-NQIIRXRSSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[NH+]1C1CC1 ZINC000441183922 853988706 /nfs/dbraw/zinc/98/87/06/853988706.db2.gz TYGZALSUMYKVHB-NQIIRXRSSA-N 2 1 398.595 3.876 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1=O ZINC001168380204 854007277 /nfs/dbraw/zinc/00/72/77/854007277.db2.gz QDXHBFZCOICKRI-XMMPIXPASA-N 2 1 381.564 3.507 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(-c2ccccc2)nc2ccccn21 ZINC000441262393 854045980 /nfs/dbraw/zinc/04/59/80/854045980.db2.gz IHSLOCOEMGOGSO-URVUXULASA-N 2 1 390.531 3.685 20 0 GHADMP Cc1ccc(-n2cc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)c(C(C)(C)C)n2)cc1 ZINC000441329652 854115227 /nfs/dbraw/zinc/11/52/27/854115227.db2.gz JLUGCXMBAYLBRU-UHFFFAOYSA-N 2 1 397.611 3.594 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112736453 854310490 /nfs/dbraw/zinc/31/04/90/854310490.db2.gz FZCUQILCHOVQRV-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000572032634 854338526 /nfs/dbraw/zinc/33/85/26/854338526.db2.gz VBBDROYGMBAHDQ-KGVIQGDOSA-N 2 1 381.520 3.715 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000572032634 854338535 /nfs/dbraw/zinc/33/85/35/854338535.db2.gz VBBDROYGMBAHDQ-KGVIQGDOSA-N 2 1 381.520 3.715 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000123393974 854404393 /nfs/dbraw/zinc/40/43/93/854404393.db2.gz HFMXSLJCVSMGOY-QZTJIDSGSA-N 2 1 381.520 3.658 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167995007 854429888 /nfs/dbraw/zinc/42/98/88/854429888.db2.gz TTYZGNBHCUTXPA-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995007 854429893 /nfs/dbraw/zinc/42/98/93/854429893.db2.gz TTYZGNBHCUTXPA-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995007 854429897 /nfs/dbraw/zinc/42/98/97/854429897.db2.gz TTYZGNBHCUTXPA-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000674000511 862572014 /nfs/dbraw/zinc/57/20/14/862572014.db2.gz WACVTIGGURFDHG-SFHVURJKSA-N 2 1 396.535 3.649 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536297427 854649371 /nfs/dbraw/zinc/64/93/71/854649371.db2.gz VEUPGJUNVIOSTE-UXHICEINSA-N 2 1 392.975 3.506 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000536297427 854649383 /nfs/dbraw/zinc/64/93/83/854649383.db2.gz VEUPGJUNVIOSTE-UXHICEINSA-N 2 1 392.975 3.506 20 0 GHADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000567851376 862592234 /nfs/dbraw/zinc/59/22/34/862592234.db2.gz DFPUEWMBTISKNZ-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000567851376 862592246 /nfs/dbraw/zinc/59/22/46/862592246.db2.gz DFPUEWMBTISKNZ-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC[NH2+]CC2 ZINC000572750173 854961688 /nfs/dbraw/zinc/96/16/88/854961688.db2.gz XFQZPKLVGWDIPS-ZDUSSCGKSA-N 2 1 380.414 3.719 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000189044673 855014824 /nfs/dbraw/zinc/01/48/24/855014824.db2.gz UKDMYQBFBPGLJW-HDYDNRTBSA-N 2 1 397.563 3.696 20 0 GHADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000572897296 855037507 /nfs/dbraw/zinc/03/75/07/855037507.db2.gz HQXYUEQVWDQYMD-DHIUTWEWSA-N 2 1 383.580 3.623 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000623656949 855077237 /nfs/dbraw/zinc/07/72/37/855077237.db2.gz GKJDYPNWTBFPDS-CYBMUJFWSA-N 2 1 377.273 3.872 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000441479174 855234561 /nfs/dbraw/zinc/23/45/61/855234561.db2.gz PXWPAHHHIDQBER-MQSCRBSSSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000441479174 855234567 /nfs/dbraw/zinc/23/45/67/855234567.db2.gz PXWPAHHHIDQBER-MQSCRBSSSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000441479174 855234574 /nfs/dbraw/zinc/23/45/74/855234574.db2.gz PXWPAHHHIDQBER-MQSCRBSSSA-N 2 1 383.580 3.682 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000765824521 855310283 /nfs/dbraw/zinc/31/02/83/855310283.db2.gz HUUGESXOBJMPON-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NCC[N@H+]3CCCC[C@H]3C)c2)CC1 ZINC000590302729 855357241 /nfs/dbraw/zinc/35/72/41/855357241.db2.gz SYJZAKBVURWSJF-HXUWFJFHSA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000465695270 855610217 /nfs/dbraw/zinc/61/02/17/855610217.db2.gz SUDMJYLGJHEDSB-HXUWFJFHSA-N 2 1 398.551 3.504 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000482109200 862711653 /nfs/dbraw/zinc/71/16/53/862711653.db2.gz RYHOAPZXNUUZTH-WIYYLYMNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000542777466 855749319 /nfs/dbraw/zinc/74/93/19/855749319.db2.gz GZTMRVGTDQRVGT-IEBWSBKVSA-N 2 1 386.584 3.505 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000591094999 855759067 /nfs/dbraw/zinc/75/90/67/855759067.db2.gz QKFROYSXEZBAFM-QUCCMNQESA-N 2 1 399.535 3.566 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000591094999 855759073 /nfs/dbraw/zinc/75/90/73/855759073.db2.gz QKFROYSXEZBAFM-QUCCMNQESA-N 2 1 399.535 3.566 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)c1 ZINC000573084101 855858470 /nfs/dbraw/zinc/85/84/70/855858470.db2.gz LNCZZUWSFIAMGH-UCBGAZFYSA-N 2 1 394.559 3.828 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000573094359 855862008 /nfs/dbraw/zinc/86/20/08/855862008.db2.gz VOWSIBUCCAFSAS-DHIUTWEWSA-N 2 1 389.628 3.858 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(C(C)(C)C)co3)CC2)cs1 ZINC000921726208 856079591 /nfs/dbraw/zinc/07/95/91/856079591.db2.gz XMOHOVIEGSNSDN-UHFFFAOYSA-N 2 1 376.570 3.993 20 0 GHADMP CC(C)[C@@]1(CO)CCC[NH+](CCCCC[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000550433593 856086466 /nfs/dbraw/zinc/08/64/66/856086466.db2.gz MLQFXPREBBEBPJ-GOTSBHOMSA-N 2 1 382.633 3.618 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000591546094 856101206 /nfs/dbraw/zinc/10/12/06/856101206.db2.gz WPLCWUJSBAONCN-HXUWFJFHSA-N 2 1 392.975 3.651 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000485219422 856230475 /nfs/dbraw/zinc/23/04/75/856230475.db2.gz ONQRHWVYXHBJAH-KEZOAJOQSA-N 2 1 390.575 3.941 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3nc4ccccc4n3C)C2)s1 ZINC000573497292 856260214 /nfs/dbraw/zinc/26/02/14/856260214.db2.gz WJOYYVZTTDBXAP-SFHVURJKSA-N 2 1 382.577 3.940 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCc3nc4ccccc4n3C)C2)s1 ZINC000573497292 856260228 /nfs/dbraw/zinc/26/02/28/856260228.db2.gz WJOYYVZTTDBXAP-SFHVURJKSA-N 2 1 382.577 3.940 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCc3nc4ccccc4n3C)C2)s1 ZINC000573497292 856260244 /nfs/dbraw/zinc/26/02/44/856260244.db2.gz WJOYYVZTTDBXAP-SFHVURJKSA-N 2 1 382.577 3.940 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCc3nc4ccccc4n3C)C2)s1 ZINC000573497292 856260259 /nfs/dbraw/zinc/26/02/59/856260259.db2.gz WJOYYVZTTDBXAP-SFHVURJKSA-N 2 1 382.577 3.940 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)C2)CC1 ZINC000573645403 856368445 /nfs/dbraw/zinc/36/84/45/856368445.db2.gz GPCOORJCRBUZFL-OAHLLOKOSA-N 2 1 394.350 3.738 20 0 GHADMP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485484940 856662488 /nfs/dbraw/zinc/66/24/88/856662488.db2.gz DRHHWLMOCNTHAD-FQEVSTJZSA-N 2 1 383.580 3.812 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000592366560 856778932 /nfs/dbraw/zinc/77/89/32/856778932.db2.gz BOVVPLQQASFKMA-SFHVURJKSA-N 2 1 399.560 3.649 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000592366560 856778937 /nfs/dbraw/zinc/77/89/37/856778937.db2.gz BOVVPLQQASFKMA-SFHVURJKSA-N 2 1 399.560 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](O)COCc2ccccc2)cc1 ZINC000624320124 856869884 /nfs/dbraw/zinc/86/98/84/856869884.db2.gz KVKBLDQKEOQKKO-FDDCHVKYSA-N 2 1 379.504 3.799 20 0 GHADMP CCOC(=O)c1c(C[N@@H+]2CC[C@H](C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000592471519 856886152 /nfs/dbraw/zinc/88/61/52/856886152.db2.gz UQQDNNQHQXLBJG-QGZVFWFLSA-N 2 1 389.499 3.859 20 0 GHADMP CCOC(=O)c1c(C[N@H+]2CC[C@H](C[NH3+])C2)nc2ccccc2c1-c1ccccc1 ZINC000592471519 856886161 /nfs/dbraw/zinc/88/61/61/856886161.db2.gz UQQDNNQHQXLBJG-QGZVFWFLSA-N 2 1 389.499 3.859 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508076008 856894359 /nfs/dbraw/zinc/89/43/59/856894359.db2.gz NTTQHGMFQAUXQA-FQEVSTJZSA-N 2 1 393.522 3.526 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000111814085 857017423 /nfs/dbraw/zinc/01/74/23/857017423.db2.gz STROENYNOAUUPL-LJQANCHMSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCc4sccc4C3)CC2)cc1 ZINC000592983913 857173887 /nfs/dbraw/zinc/17/38/87/857173887.db2.gz NVDIXQLNAGVXLO-UHFFFAOYSA-N 2 1 397.588 3.539 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCc4sccc4C3)CC2)cc1 ZINC000592983913 857173896 /nfs/dbraw/zinc/17/38/96/857173896.db2.gz NVDIXQLNAGVXLO-UHFFFAOYSA-N 2 1 397.588 3.539 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCc4sccc4C3)CC2)cc1 ZINC000592983913 857173904 /nfs/dbraw/zinc/17/39/04/857173904.db2.gz NVDIXQLNAGVXLO-UHFFFAOYSA-N 2 1 397.588 3.539 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCc4sccc4C3)CC2)cc1 ZINC000592983913 857173911 /nfs/dbraw/zinc/17/39/11/857173911.db2.gz NVDIXQLNAGVXLO-UHFFFAOYSA-N 2 1 397.588 3.539 20 0 GHADMP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000173879456 857174018 /nfs/dbraw/zinc/17/40/18/857174018.db2.gz HVOOHCVDZUXMCY-OTWHNJEPSA-N 2 1 398.551 3.927 20 0 GHADMP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000173879456 857174024 /nfs/dbraw/zinc/17/40/24/857174024.db2.gz HVOOHCVDZUXMCY-OTWHNJEPSA-N 2 1 398.551 3.927 20 0 GHADMP CCN(C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1)c1nc2ccccc2s1 ZINC000057847377 857243194 /nfs/dbraw/zinc/24/31/94/857243194.db2.gz HSIPBKILQDWDCD-UHFFFAOYSA-N 2 1 388.581 3.703 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000574143307 857259182 /nfs/dbraw/zinc/25/91/82/857259182.db2.gz JRHHVBQHBJXFNZ-OALUTQOASA-N 2 1 375.900 3.713 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921981756 857408796 /nfs/dbraw/zinc/40/87/96/857408796.db2.gz WNGQFBXAMWQNMP-JOCHJYFZSA-N 2 1 389.499 3.730 20 0 GHADMP [NH3+][C@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417989866 857538783 /nfs/dbraw/zinc/53/87/83/857538783.db2.gz JWUFEZCYYFQMCH-FUHWJXTLSA-N 2 1 399.366 3.527 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417989868 857538982 /nfs/dbraw/zinc/53/89/82/857538982.db2.gz JWUFEZCYYFQMCH-SJLPKXTDSA-N 2 1 399.366 3.527 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000061941451 857552420 /nfs/dbraw/zinc/55/24/20/857552420.db2.gz LBEUIDWXFLHPCL-JENIJYKNSA-N 2 1 380.602 3.693 20 0 GHADMP COc1ccc(COCC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000671723591 857556856 /nfs/dbraw/zinc/55/68/56/857556856.db2.gz XRJNAVWRLOJOLS-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COc1ccc(COCC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000671723591 857556868 /nfs/dbraw/zinc/55/68/68/857556868.db2.gz XRJNAVWRLOJOLS-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP COc1ccc(COCC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000671723591 857556875 /nfs/dbraw/zinc/55/68/75/857556875.db2.gz XRJNAVWRLOJOLS-XMMPIXPASA-N 2 1 380.532 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000486233002 857574715 /nfs/dbraw/zinc/57/47/15/857574715.db2.gz UWJLKMFAUYIVHN-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP CC[C@H](Cc1cccs1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000675832032 857630332 /nfs/dbraw/zinc/63/03/32/857630332.db2.gz DDCDGLPIWSYUAM-VQTJNVASSA-N 2 1 385.577 3.556 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000065526776 857812771 /nfs/dbraw/zinc/81/27/71/857812771.db2.gz GMWKNISGRXVCAC-AQNXPRMDSA-N 2 1 380.621 3.554 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000065526776 857812780 /nfs/dbraw/zinc/81/27/80/857812780.db2.gz GMWKNISGRXVCAC-AQNXPRMDSA-N 2 1 380.621 3.554 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000065526776 857812788 /nfs/dbraw/zinc/81/27/88/857812788.db2.gz GMWKNISGRXVCAC-AQNXPRMDSA-N 2 1 380.621 3.554 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1)C1CC[NH+](C)CC1 ZINC000668631182 857824405 /nfs/dbraw/zinc/82/44/05/857824405.db2.gz OHVONJSEXIRAED-XUZZJYLKSA-N 2 1 385.596 3.998 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000466015365 857837107 /nfs/dbraw/zinc/83/71/07/857837107.db2.gz YTSAGVGDVKHNEP-DOTOQJQBSA-N 2 1 398.954 3.598 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnc(-c3ccccc3)s2)c2cccs2)CC1 ZINC000521333809 857895795 /nfs/dbraw/zinc/89/57/95/857895795.db2.gz QQWPRVCQIQWURD-IBGZPJMESA-N 2 1 398.601 3.950 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000671753482 857926968 /nfs/dbraw/zinc/92/69/68/857926968.db2.gz ZYZHSEAAEMIZLY-YDPRHXJPSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[NH+]1CCSCC1 ZINC000442661927 858017787 /nfs/dbraw/zinc/01/77/87/858017787.db2.gz YNSBZFVOPZCVEP-SFHVURJKSA-N 2 1 389.609 3.505 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CCSCC1 ZINC000442661927 858017797 /nfs/dbraw/zinc/01/77/97/858017797.db2.gz YNSBZFVOPZCVEP-SFHVURJKSA-N 2 1 389.609 3.505 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000067684269 858058602 /nfs/dbraw/zinc/05/86/02/858058602.db2.gz NFODNIDSSWLMDV-UGKGYDQZSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000067684269 858058607 /nfs/dbraw/zinc/05/86/07/858058607.db2.gz NFODNIDSSWLMDV-UGKGYDQZSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000067684269 858058614 /nfs/dbraw/zinc/05/86/14/858058614.db2.gz NFODNIDSSWLMDV-UGKGYDQZSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2)C1 ZINC000521522104 858088803 /nfs/dbraw/zinc/08/88/03/858088803.db2.gz ULUSHYNLTWNXCF-REWPJTCUSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2)C1 ZINC000521522101 858088944 /nfs/dbraw/zinc/08/89/44/858088944.db2.gz ULUSHYNLTWNXCF-NFBKMPQASA-N 2 1 398.595 3.688 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000673066801 858130191 /nfs/dbraw/zinc/13/01/91/858130191.db2.gz IMEXDXQUSHMRKW-GSPCLOLRSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000673066801 858130199 /nfs/dbraw/zinc/13/01/99/858130199.db2.gz IMEXDXQUSHMRKW-GSPCLOLRSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000673066801 858130204 /nfs/dbraw/zinc/13/02/04/858130204.db2.gz IMEXDXQUSHMRKW-GSPCLOLRSA-N 2 1 383.580 3.668 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1(C)C ZINC000442878039 858198780 /nfs/dbraw/zinc/19/87/80/858198780.db2.gz SCMSXSJGMPCPLY-MRXNPFEDSA-N 2 1 398.414 3.602 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CCC[C@@H](CC[NH3+])C4)cc3)nc12 ZINC000442919864 858244047 /nfs/dbraw/zinc/24/40/47/858244047.db2.gz JTPOPMYQQXZFCQ-IBGZPJMESA-N 2 1 378.520 3.783 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000443057604 858343295 /nfs/dbraw/zinc/34/32/95/858343295.db2.gz HIAIIASOQLDZFN-OAHLLOKOSA-N 2 1 375.538 3.778 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000521852658 858369022 /nfs/dbraw/zinc/36/90/22/858369022.db2.gz VBJQWYZNFUWCLI-UGKGYDQZSA-N 2 1 397.567 3.600 20 0 GHADMP CC(C)[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[NH+](C)C ZINC000521962001 858490063 /nfs/dbraw/zinc/49/00/63/858490063.db2.gz GGASNYNLDFQFCW-JOCHJYFZSA-N 2 1 379.548 3.506 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000522044024 858565584 /nfs/dbraw/zinc/56/55/84/858565584.db2.gz JAVKVNMBNMMVBM-PMACEKPBSA-N 2 1 388.600 3.696 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000115794858 858669980 /nfs/dbraw/zinc/66/99/80/858669980.db2.gz FONGRYWCBHKAJD-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000115794858 858669984 /nfs/dbraw/zinc/66/99/84/858669984.db2.gz FONGRYWCBHKAJD-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000115794858 858669988 /nfs/dbraw/zinc/66/99/88/858669988.db2.gz FONGRYWCBHKAJD-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000115828614 858680886 /nfs/dbraw/zinc/68/08/86/858680886.db2.gz YPSGXVKYDYCSIV-WOJBJXKFSA-N 2 1 386.584 3.633 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000522230312 858857896 /nfs/dbraw/zinc/85/78/96/858857896.db2.gz FUPPGPFKMRQYFH-VQTJNVASSA-N 2 1 386.584 3.680 20 0 GHADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000429263180 858858214 /nfs/dbraw/zinc/85/82/14/858858214.db2.gz WYFWKSBPRRUZBR-UHFFFAOYSA-N 2 1 397.567 3.705 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000429263180 858858243 /nfs/dbraw/zinc/85/82/43/858858243.db2.gz WYFWKSBPRRUZBR-UHFFFAOYSA-N 2 1 397.567 3.705 20 0 GHADMP COC(=O)Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000596524694 858922754 /nfs/dbraw/zinc/92/27/54/858922754.db2.gz CYFFBZXCEJFOLW-FQEVSTJZSA-N 2 1 379.504 3.511 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SCC(F)F)cc1 ZINC000482885995 858940525 /nfs/dbraw/zinc/94/05/25/858940525.db2.gz HTJALKOSMDUQNE-OAHLLOKOSA-N 2 1 399.551 3.637 20 0 GHADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443596717 859023893 /nfs/dbraw/zinc/02/38/93/859023893.db2.gz BBXSTRVHBCQWSE-INIZCTEOSA-N 2 1 379.495 3.880 20 0 GHADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000185192391 859054419 /nfs/dbraw/zinc/05/44/19/859054419.db2.gz MOYGPTRVKFCMDK-LJQANCHMSA-N 2 1 388.577 3.787 20 0 GHADMP CCCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856553221 881382154 /nfs/dbraw/zinc/38/21/54/881382154.db2.gz KHOGSJZOEMAHLZ-HSZRJFAPSA-N 2 1 383.536 3.975 20 0 GHADMP CCCOc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c1 ZINC000856553221 881382174 /nfs/dbraw/zinc/38/21/74/881382174.db2.gz KHOGSJZOEMAHLZ-HSZRJFAPSA-N 2 1 383.536 3.975 20 0 GHADMP CCCOc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c1 ZINC000856553221 881382202 /nfs/dbraw/zinc/38/22/02/881382202.db2.gz KHOGSJZOEMAHLZ-HSZRJFAPSA-N 2 1 383.536 3.975 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761200432 859111723 /nfs/dbraw/zinc/11/17/23/859111723.db2.gz SQIZXVCDESGCGU-LJQANCHMSA-N 2 1 375.557 3.744 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761200432 859111727 /nfs/dbraw/zinc/11/17/27/859111727.db2.gz SQIZXVCDESGCGU-LJQANCHMSA-N 2 1 375.557 3.744 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761200432 859111729 /nfs/dbraw/zinc/11/17/29/859111729.db2.gz SQIZXVCDESGCGU-LJQANCHMSA-N 2 1 375.557 3.744 20 0 GHADMP O=C(C[N@H+]1CCCC[C@H]1CCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000443639291 859118907 /nfs/dbraw/zinc/11/89/07/859118907.db2.gz KKPXWKWUTNWVMZ-QFIPXVFZSA-N 2 1 383.580 3.607 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc2ncccc21 ZINC000185742504 859123592 /nfs/dbraw/zinc/12/35/92/859123592.db2.gz SYVDFDWGPDJWOO-BZSNNMDCSA-N 2 1 380.536 3.804 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc2ncccc21 ZINC000185742504 859123601 /nfs/dbraw/zinc/12/36/01/859123601.db2.gz SYVDFDWGPDJWOO-BZSNNMDCSA-N 2 1 380.536 3.804 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@@H](C)C1 ZINC000483130761 859169733 /nfs/dbraw/zinc/16/97/33/859169733.db2.gz XYJQCYLKHONFSA-QKLQHJQFSA-N 2 1 387.568 3.704 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1cccs1 ZINC000483148694 859182312 /nfs/dbraw/zinc/18/23/12/859182312.db2.gz CUHBAJHNXNOEBW-LVCYWYKZSA-N 2 1 389.609 3.902 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1cccs1 ZINC000483148694 859182317 /nfs/dbraw/zinc/18/23/17/859182317.db2.gz CUHBAJHNXNOEBW-LVCYWYKZSA-N 2 1 389.609 3.902 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1cccs1 ZINC000483148694 859182324 /nfs/dbraw/zinc/18/23/24/859182324.db2.gz CUHBAJHNXNOEBW-LVCYWYKZSA-N 2 1 389.609 3.902 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000483155396 859186503 /nfs/dbraw/zinc/18/65/03/859186503.db2.gz LTOYGSGKVWJQQA-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000483155396 859186508 /nfs/dbraw/zinc/18/65/08/859186508.db2.gz LTOYGSGKVWJQQA-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000483155396 859186511 /nfs/dbraw/zinc/18/65/11/859186511.db2.gz LTOYGSGKVWJQQA-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483248684 859240889 /nfs/dbraw/zinc/24/08/89/859240889.db2.gz RDXAJRZSPMQKRH-LXGCGDOSSA-N 2 1 376.447 3.908 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483248684 859240897 /nfs/dbraw/zinc/24/08/97/859240897.db2.gz RDXAJRZSPMQKRH-LXGCGDOSSA-N 2 1 376.447 3.908 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000466717751 859260514 /nfs/dbraw/zinc/26/05/14/859260514.db2.gz QYHZRCPOSDYZSD-UHFFFAOYSA-N 2 1 387.524 3.673 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000922259140 859272467 /nfs/dbraw/zinc/27/24/67/859272467.db2.gz BDHGXAGRHHZFPF-HSZRJFAPSA-N 2 1 391.559 3.780 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923393490 859278619 /nfs/dbraw/zinc/27/86/19/859278619.db2.gz RDASOGPFNLQZBC-YQXATGRUSA-N 2 1 398.469 3.529 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1cccs1 ZINC000380759475 859279584 /nfs/dbraw/zinc/27/95/84/859279584.db2.gz XGRGCITWHWMRFN-NHCUHLMSSA-N 2 1 388.577 3.518 20 0 GHADMP CCOc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCCOc1ccc(C)cc1 ZINC000479951421 859303517 /nfs/dbraw/zinc/30/35/17/859303517.db2.gz AOLHKYRAGWIBIG-OYRHEFFESA-N 2 1 396.531 3.503 20 0 GHADMP CCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCCOc1ccc(C)cc1 ZINC000479951421 859303522 /nfs/dbraw/zinc/30/35/22/859303522.db2.gz AOLHKYRAGWIBIG-OYRHEFFESA-N 2 1 396.531 3.503 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000568237137 859386436 /nfs/dbraw/zinc/38/64/36/859386436.db2.gz MXASUFCKFUIMCX-OALUTQOASA-N 2 1 375.900 3.713 20 0 GHADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000483687508 859542255 /nfs/dbraw/zinc/54/22/55/859542255.db2.gz WCUUAQMRELCTDO-ZWKOTPCHSA-N 2 1 389.565 3.619 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000764714298 859578429 /nfs/dbraw/zinc/57/84/29/859578429.db2.gz DUCUJEDUWKYORM-KNQAVFIVSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000764714298 859578436 /nfs/dbraw/zinc/57/84/36/859578436.db2.gz DUCUJEDUWKYORM-KNQAVFIVSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483766941 859607007 /nfs/dbraw/zinc/60/70/07/859607007.db2.gz UYWVCQVRQJWMAL-WIYYLYMNSA-N 2 1 384.568 3.528 20 0 GHADMP CSc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC000383739426 859691446 /nfs/dbraw/zinc/69/14/46/859691446.db2.gz HFFRBVLBDVEKMD-SFHVURJKSA-N 2 1 384.545 3.791 20 0 GHADMP CCN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474304658 859811714 /nfs/dbraw/zinc/81/17/14/859811714.db2.gz MWYWDLGIGXWHOG-CYFREDJKSA-N 2 1 391.559 3.672 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccco1 ZINC000522430512 859882487 /nfs/dbraw/zinc/88/24/87/859882487.db2.gz BLARNECDUMXKEV-CEWLAPEOSA-N 2 1 398.551 3.797 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000765359313 859928087 /nfs/dbraw/zinc/92/80/87/859928087.db2.gz VEVAOHXMMRDWNH-AQNXPRMDSA-N 2 1 397.604 3.503 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000765366979 859929997 /nfs/dbraw/zinc/92/99/97/859929997.db2.gz ISWUODZASVLKTI-QGZVFWFLSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1ccc2oc(=O)n(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)c2c1 ZINC000727423254 860088918 /nfs/dbraw/zinc/08/89/18/860088918.db2.gz OJGIDGUCQQJYOR-UHFFFAOYSA-N 2 1 379.504 3.704 20 0 GHADMP Cc1ccc2oc(=O)n(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)c2c1 ZINC000727423254 860088930 /nfs/dbraw/zinc/08/89/30/860088930.db2.gz OJGIDGUCQQJYOR-UHFFFAOYSA-N 2 1 379.504 3.704 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c(C)c(C)n(CCOC)c1=S ZINC000727426450 860091043 /nfs/dbraw/zinc/09/10/43/860091043.db2.gz PSEQWQWMISFVBN-UHFFFAOYSA-N 2 1 390.597 3.824 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c(C)c(C)n(CCOC)c1=S ZINC000727426450 860091045 /nfs/dbraw/zinc/09/10/45/860091045.db2.gz PSEQWQWMISFVBN-UHFFFAOYSA-N 2 1 390.597 3.824 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000474479485 860168827 /nfs/dbraw/zinc/16/88/27/860168827.db2.gz RETXCQZPQBMNPI-MOPGFXCFSA-N 2 1 398.547 3.818 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000499926298 860180852 /nfs/dbraw/zinc/18/08/52/860180852.db2.gz FHJYLOWWAKLXJP-QFIPXVFZSA-N 2 1 385.577 3.762 20 0 GHADMP CCOc1c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)nn1CC(C)C ZINC000904477699 860469494 /nfs/dbraw/zinc/46/94/94/860469494.db2.gz ZFVKHOPAGSQKRO-NFBKMPQASA-N 2 1 398.551 3.592 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011438 860531332 /nfs/dbraw/zinc/53/13/32/860531332.db2.gz AWQJZWDBFNAQGK-XLIONFOSSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011438 860531342 /nfs/dbraw/zinc/53/13/42/860531342.db2.gz AWQJZWDBFNAQGK-XLIONFOSSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011438 860531351 /nfs/dbraw/zinc/53/13/51/860531351.db2.gz AWQJZWDBFNAQGK-XLIONFOSSA-N 2 1 394.991 3.706 20 0 GHADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904648234 860543724 /nfs/dbraw/zinc/54/37/24/860543724.db2.gz KAGDZCDXNAPUDG-VGSWGCGISA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904648234 860543731 /nfs/dbraw/zinc/54/37/31/860543731.db2.gz KAGDZCDXNAPUDG-VGSWGCGISA-N 2 1 395.551 3.613 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428968725 860545850 /nfs/dbraw/zinc/54/58/50/860545850.db2.gz PGVFKWDQKXXSMZ-UNMCSNQZSA-N 2 1 388.600 3.848 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(F)c3Cl)C2)ccn1 ZINC000856584805 881555231 /nfs/dbraw/zinc/55/52/31/881555231.db2.gz RRNIZGHBDGSJLN-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(F)c3Cl)C2)ccn1 ZINC000856584805 881555238 /nfs/dbraw/zinc/55/52/38/881555238.db2.gz RRNIZGHBDGSJLN-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(F)c3Cl)C2)ccn1 ZINC000856584805 881555244 /nfs/dbraw/zinc/55/52/44/881555244.db2.gz RRNIZGHBDGSJLN-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(F)c3Cl)C2)ccn1 ZINC000856584805 881555253 /nfs/dbraw/zinc/55/52/53/881555253.db2.gz RRNIZGHBDGSJLN-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3ccccc3Cl)C2)ccn1 ZINC000856593070 881566146 /nfs/dbraw/zinc/56/61/46/881566146.db2.gz MROHFJVKGYPCHQ-LJQANCHMSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3ccccc3Cl)C2)ccn1 ZINC000856593070 881566165 /nfs/dbraw/zinc/56/61/65/881566165.db2.gz MROHFJVKGYPCHQ-LJQANCHMSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3ccccc3Cl)C2)ccn1 ZINC000856593070 881566187 /nfs/dbraw/zinc/56/61/87/881566187.db2.gz MROHFJVKGYPCHQ-LJQANCHMSA-N 2 1 389.927 3.719 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000429008278 860671795 /nfs/dbraw/zinc/67/17/95/860671795.db2.gz XLXJGIJDLSMQCZ-NRSPTQNISA-N 2 1 388.600 3.705 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3cccc(Cl)c3)C2)ccn1 ZINC000856595886 881569556 /nfs/dbraw/zinc/56/95/56/881569556.db2.gz MFEIUMVESSFPBL-OAQYLSRUSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3cccc(Cl)c3)C2)ccn1 ZINC000856595886 881569569 /nfs/dbraw/zinc/56/95/69/881569569.db2.gz MFEIUMVESSFPBL-OAQYLSRUSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3cccc(Cl)c3)C2)ccn1 ZINC000856595886 881569584 /nfs/dbraw/zinc/56/95/84/881569584.db2.gz MFEIUMVESSFPBL-OAQYLSRUSA-N 2 1 389.927 3.719 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000474741806 860704106 /nfs/dbraw/zinc/70/41/06/860704106.db2.gz XXSBBWHDCWBBFV-OAQYLSRUSA-N 2 1 397.607 3.938 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000474741806 860704111 /nfs/dbraw/zinc/70/41/11/860704111.db2.gz XXSBBWHDCWBBFV-OAQYLSRUSA-N 2 1 397.607 3.938 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000474741806 860704116 /nfs/dbraw/zinc/70/41/16/860704116.db2.gz XXSBBWHDCWBBFV-OAQYLSRUSA-N 2 1 397.607 3.938 20 0 GHADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000557032190 881586292 /nfs/dbraw/zinc/58/62/92/881586292.db2.gz CEQGXFPORKZOGU-UHFFFAOYSA-N 2 1 392.547 3.505 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673646068 860998614 /nfs/dbraw/zinc/99/86/14/860998614.db2.gz YUZSGRUEPWONAD-HSZRJFAPSA-N 2 1 392.547 3.713 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673646068 860998625 /nfs/dbraw/zinc/99/86/25/860998625.db2.gz YUZSGRUEPWONAD-HSZRJFAPSA-N 2 1 392.547 3.713 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000498597516 863156166 /nfs/dbraw/zinc/15/61/66/863156166.db2.gz IPBWFPONVBGDJG-DENIHFKCSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000498597516 863156175 /nfs/dbraw/zinc/15/61/75/863156175.db2.gz IPBWFPONVBGDJG-DENIHFKCSA-N 2 1 399.966 3.971 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000182244708 863161678 /nfs/dbraw/zinc/16/16/78/863161678.db2.gz LZANDPARMFEALG-IFMALSPDSA-N 2 1 384.495 3.786 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532270285 881644196 /nfs/dbraw/zinc/64/41/96/881644196.db2.gz XYAOYGADTSCMKY-PKTZIBPZSA-N 2 1 380.532 3.830 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000482551178 863297243 /nfs/dbraw/zinc/29/72/43/863297243.db2.gz BEOSJUBQUAHZLI-ICSRJNTNSA-N 2 1 381.520 3.717 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000606635723 863727540 /nfs/dbraw/zinc/72/75/40/863727540.db2.gz UTJASUCOUJQVTI-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000606635723 863727546 /nfs/dbraw/zinc/72/75/46/863727546.db2.gz UTJASUCOUJQVTI-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000606635723 863727554 /nfs/dbraw/zinc/72/75/54/863727554.db2.gz UTJASUCOUJQVTI-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000606704568 863769725 /nfs/dbraw/zinc/76/97/25/863769725.db2.gz OGVMQCROAZKMAV-GOSISDBHSA-N 2 1 392.613 3.618 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000544575772 881716080 /nfs/dbraw/zinc/71/60/80/881716080.db2.gz REHFCGXKHQOTIC-FVJLSDCUSA-N 2 1 390.959 3.642 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000544575772 881716092 /nfs/dbraw/zinc/71/60/92/881716092.db2.gz REHFCGXKHQOTIC-FVJLSDCUSA-N 2 1 390.959 3.642 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCCc3cccc(Cl)c3)CC2)CC1 ZINC000621266717 863990206 /nfs/dbraw/zinc/99/02/06/863990206.db2.gz XWQWDGDQIJQYPI-UHFFFAOYSA-N 2 1 391.987 3.539 20 0 GHADMP CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159030946 864014927 /nfs/dbraw/zinc/01/49/27/864014927.db2.gz KRHDSTGFXBYCOM-FQEVSTJZSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475116205 864242558 /nfs/dbraw/zinc/24/25/58/864242558.db2.gz HVNOINYBDYHQPN-SIKLNZKXSA-N 2 1 398.595 3.918 20 0 GHADMP CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159215956 864423208 /nfs/dbraw/zinc/42/32/08/864423208.db2.gz VWPAWTZZDFGFHK-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1ccccc1COc1c(C)cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000734841295 864471262 /nfs/dbraw/zinc/47/12/62/864471262.db2.gz NDRSAYDKBMSHDN-HSZRJFAPSA-N 2 1 382.548 3.737 20 0 GHADMP c1cn(-c2ccccc2)c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000480351427 864513429 /nfs/dbraw/zinc/51/34/29/864513429.db2.gz BJUNATRAOGMMGP-UHFFFAOYSA-N 2 1 376.504 3.637 20 0 GHADMP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)O[C@@H](C)C2 ZINC000554558743 864548836 /nfs/dbraw/zinc/54/88/36/864548836.db2.gz SYQSKRHKJPLOSQ-DLBZAZTESA-N 2 1 381.520 3.931 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164967780 864644779 /nfs/dbraw/zinc/64/47/79/864644779.db2.gz GLVWEFSYGKFXHH-AQCRLBJHSA-N 2 1 393.641 3.858 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164967780 864644781 /nfs/dbraw/zinc/64/47/81/864644781.db2.gz GLVWEFSYGKFXHH-AQCRLBJHSA-N 2 1 393.641 3.858 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164967780 864644784 /nfs/dbraw/zinc/64/47/84/864644784.db2.gz GLVWEFSYGKFXHH-AQCRLBJHSA-N 2 1 393.641 3.858 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(OC)c1OC ZINC000165305791 864662156 /nfs/dbraw/zinc/66/21/56/864662156.db2.gz CCEDLMBVIZCGOB-QUCCMNQESA-N 2 1 398.547 3.928 20 0 GHADMP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)s1 ZINC000165541897 864681872 /nfs/dbraw/zinc/68/18/72/864681872.db2.gz FVPBIOCZFRZWMF-QZTJIDSGSA-N 2 1 378.586 3.857 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000295036715 864687984 /nfs/dbraw/zinc/68/79/84/864687984.db2.gz OJKGSXPCLARXNH-GOOCMWNKSA-N 2 1 383.330 3.571 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000295036715 864687995 /nfs/dbraw/zinc/68/79/95/864687995.db2.gz OJKGSXPCLARXNH-GOOCMWNKSA-N 2 1 383.330 3.571 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061303 864782629 /nfs/dbraw/zinc/78/26/29/864782629.db2.gz ZVFGYCMGIXFEME-ZJOUEHCJSA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)NC(=O)N[C@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168061303 864782633 /nfs/dbraw/zinc/78/26/33/864782633.db2.gz ZVFGYCMGIXFEME-ZJOUEHCJSA-N 2 1 386.584 3.600 20 0 GHADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c1)CC2 ZINC000655710782 864840967 /nfs/dbraw/zinc/84/09/67/864840967.db2.gz FFJDTOZFUPNQEV-PKTZIBPZSA-N 2 1 391.559 3.778 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000480600522 864914194 /nfs/dbraw/zinc/91/41/94/864914194.db2.gz ITETZVBERQZFLS-LJQANCHMSA-N 2 1 391.559 3.804 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[N@@H+](C)[C@H](C)C4)cc3)nc12 ZINC000608061358 864955210 /nfs/dbraw/zinc/95/52/10/864955210.db2.gz QLHYTVLXDGKTSV-QUCCMNQESA-N 2 1 378.520 3.794 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000444345760 864980993 /nfs/dbraw/zinc/98/09/93/864980993.db2.gz QUPHDQQOIIKGHM-OTWHNJEPSA-N 2 1 397.567 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000444345760 864981004 /nfs/dbraw/zinc/98/10/04/864981004.db2.gz QUPHDQQOIIKGHM-OTWHNJEPSA-N 2 1 397.567 3.909 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC1)CC1CC1 ZINC001168423983 865056643 /nfs/dbraw/zinc/05/66/43/865056643.db2.gz SWOMILXZZYXSQW-INIZCTEOSA-N 2 1 386.449 3.769 20 0 GHADMP CCSc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000554883314 865112435 /nfs/dbraw/zinc/11/24/35/865112435.db2.gz BOUZHZKZJGEKOG-OALUTQOASA-N 2 1 392.609 3.889 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000480702874 865115289 /nfs/dbraw/zinc/11/52/89/865115289.db2.gz YDKZIAMBIVRJGL-RBBKRZOGSA-N 2 1 388.600 3.545 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@@H](C)C1 ZINC000480702874 865115293 /nfs/dbraw/zinc/11/52/93/865115293.db2.gz YDKZIAMBIVRJGL-RBBKRZOGSA-N 2 1 388.600 3.545 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000608264740 865127614 /nfs/dbraw/zinc/12/76/14/865127614.db2.gz ZUQLFDMYVZXZLK-KRWDZBQOSA-N 2 1 380.964 3.837 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480719092 865159015 /nfs/dbraw/zinc/15/90/15/865159015.db2.gz XIDBMJXSJMCYBD-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480719092 865159026 /nfs/dbraw/zinc/15/90/26/865159026.db2.gz XIDBMJXSJMCYBD-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480719092 865159033 /nfs/dbraw/zinc/15/90/33/865159033.db2.gz XIDBMJXSJMCYBD-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171389186 865237048 /nfs/dbraw/zinc/23/70/48/865237048.db2.gz IUAALQSKZJJXAX-UHFFFAOYSA-N 2 1 394.357 3.504 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)c2C)cc1 ZINC000480912271 865492703 /nfs/dbraw/zinc/49/27/03/865492703.db2.gz RKRXGEJVKRUFOH-UHFFFAOYSA-N 2 1 384.568 3.768 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000608655894 865563051 /nfs/dbraw/zinc/56/30/51/865563051.db2.gz UNDYMUVBDFBREA-LEWJYISDSA-N 2 1 398.551 3.578 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC1CC1)c1ccccc1 ZINC000608716548 865622731 /nfs/dbraw/zinc/62/27/31/865622731.db2.gz OCSHSKHLKSWJTI-FGZHOGPDSA-N 2 1 386.584 3.585 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000555169022 865639273 /nfs/dbraw/zinc/63/92/73/865639273.db2.gz VAQQMUFIELUWOL-IBGZPJMESA-N 2 1 381.358 3.653 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000555214429 865730403 /nfs/dbraw/zinc/73/04/03/865730403.db2.gz PYWLBWJVEJIGNJ-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175319 865925274 /nfs/dbraw/zinc/92/52/74/865925274.db2.gz PGXZTMKUQPTHLZ-PKOBYXMFSA-N 2 1 399.501 3.534 20 0 GHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175319 865925280 /nfs/dbraw/zinc/92/52/80/865925280.db2.gz PGXZTMKUQPTHLZ-PKOBYXMFSA-N 2 1 399.501 3.534 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000481177058 865929016 /nfs/dbraw/zinc/92/90/16/865929016.db2.gz YNKAMCDBFHNPFJ-NIDLKEISSA-N 2 1 391.559 3.754 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000481177058 865929025 /nfs/dbraw/zinc/92/90/25/865929025.db2.gz YNKAMCDBFHNPFJ-NIDLKEISSA-N 2 1 391.559 3.754 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001168067379 865990880 /nfs/dbraw/zinc/99/08/80/865990880.db2.gz UVHMCNSXGVZRQD-MHXAIHSWSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)ccn1 ZINC001168067379 865990886 /nfs/dbraw/zinc/99/08/86/865990886.db2.gz UVHMCNSXGVZRQD-MHXAIHSWSA-N 2 1 395.547 3.985 20 0 GHADMP FC(F)CN1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000623089403 866009348 /nfs/dbraw/zinc/00/93/48/866009348.db2.gz GFIQCOATSSNYBD-FQEVSTJZSA-N 2 1 377.523 3.750 20 0 GHADMP FC(F)CN1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000623089403 866009366 /nfs/dbraw/zinc/00/93/66/866009366.db2.gz GFIQCOATSSNYBD-FQEVSTJZSA-N 2 1 377.523 3.750 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(-n2ccnc2)cc1 ZINC000153488276 866524114 /nfs/dbraw/zinc/52/41/14/866524114.db2.gz XVDAXPOAVJSSIF-UXHICEINSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(-n2ccnc2)cc1 ZINC000153488276 866524132 /nfs/dbraw/zinc/52/41/32/866524132.db2.gz XVDAXPOAVJSSIF-UXHICEINSA-N 2 1 390.531 3.944 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000534347243 866593449 /nfs/dbraw/zinc/59/34/49/866593449.db2.gz BGHABYZRWHRAMU-KRWDZBQOSA-N 2 1 381.524 3.512 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(Br)c2)c2cccs2)CC1 ZINC000620437280 866754205 /nfs/dbraw/zinc/75/42/05/866754205.db2.gz BYAUEKZNUWOHKB-KRWDZBQOSA-N 2 1 394.382 3.589 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1Cl ZINC000523146097 866755872 /nfs/dbraw/zinc/75/58/72/866755872.db2.gz AOVDZHWTWILCET-YLJYHZDGSA-N 2 1 394.991 3.752 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523150678 866771888 /nfs/dbraw/zinc/77/18/88/866771888.db2.gz VKPLMDOPJRKTRL-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000523150678 866771895 /nfs/dbraw/zinc/77/18/95/866771895.db2.gz VKPLMDOPJRKTRL-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000523150678 866771900 /nfs/dbraw/zinc/77/19/00/866771900.db2.gz VKPLMDOPJRKTRL-DNVJHFABSA-N 2 1 398.595 3.699 20 0 GHADMP c1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1-c1ccccc1 ZINC000444664236 867036864 /nfs/dbraw/zinc/03/68/64/867036864.db2.gz QJECAWMYWBUSIK-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP c1nnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1-c1ccccc1 ZINC000444664236 867036881 /nfs/dbraw/zinc/03/68/81/867036881.db2.gz QJECAWMYWBUSIK-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000553340686 867229096 /nfs/dbraw/zinc/22/90/96/867229096.db2.gz SDPLMNLWEVRDOD-JOCHJYFZSA-N 2 1 387.543 3.686 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000154462585 867415167 /nfs/dbraw/zinc/41/51/67/867415167.db2.gz YPWFPWVOYQFPCK-IBGZPJMESA-N 2 1 398.364 3.583 20 0 GHADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(Br)cc1 ZINC000154542029 867454663 /nfs/dbraw/zinc/45/46/63/867454663.db2.gz JZBPMPJTOFHBSF-IBGZPJMESA-N 2 1 382.390 3.908 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCCc4nn(C)cc43)cc2)C[C@H]1C ZINC000479409079 867733209 /nfs/dbraw/zinc/73/32/09/867733209.db2.gz OXRRTMBYXDGFKA-YYDVJCTNSA-N 2 1 396.579 3.596 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461372 867803296 /nfs/dbraw/zinc/80/32/96/867803296.db2.gz BTPGTLIYLNYKDV-UNMCSNQZSA-N 2 1 379.548 3.696 20 0 GHADMP COc1ccc2oc(C[NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)cc2c1 ZINC000535000839 867889381 /nfs/dbraw/zinc/88/93/81/867889381.db2.gz QVXIHHROKMMMGU-IBGZPJMESA-N 2 1 385.533 3.581 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000479536511 867963975 /nfs/dbraw/zinc/96/39/75/867963975.db2.gz MCJAYTGIRYDKNZ-VEEZFSHISA-N 2 1 390.616 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000479536511 867963988 /nfs/dbraw/zinc/96/39/88/867963988.db2.gz MCJAYTGIRYDKNZ-VEEZFSHISA-N 2 1 390.616 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000479536511 867964018 /nfs/dbraw/zinc/96/40/18/867964018.db2.gz MCJAYTGIRYDKNZ-VEEZFSHISA-N 2 1 390.616 3.688 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCc3cccc(C[N@@H+](C)C(C)C)c3)CC2)[nH+]c1 ZINC000171852844 882164423 /nfs/dbraw/zinc/16/44/23/882164423.db2.gz UQVPUPJMBIQELX-UHFFFAOYSA-N 2 1 394.563 3.763 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)CC2)[nH+]c1 ZINC000171852844 882164430 /nfs/dbraw/zinc/16/44/30/882164430.db2.gz UQVPUPJMBIQELX-UHFFFAOYSA-N 2 1 394.563 3.763 20 0 GHADMP C[C@H]1CN(C(C)(C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000671098681 868259603 /nfs/dbraw/zinc/25/96/03/868259603.db2.gz SHLUGJNGODTUFX-LHAJZYKRSA-N 2 1 387.612 3.907 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H]2C2CCC2)[NH+]2CCCCC2)cc1 ZINC000479668307 868296387 /nfs/dbraw/zinc/29/63/87/868296387.db2.gz TYSJTZFMIPRHIC-PKTZIBPZSA-N 2 1 399.579 3.603 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000667545239 868398399 /nfs/dbraw/zinc/39/83/99/868398399.db2.gz YZUUXYAPTAPSRO-HSZRJFAPSA-N 2 1 385.596 3.522 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC3(CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000743863327 868479618 /nfs/dbraw/zinc/47/96/18/868479618.db2.gz FDKHRXQJVCLAEC-QFIPXVFZSA-N 2 1 399.579 3.605 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000156894248 868495306 /nfs/dbraw/zinc/49/53/06/868495306.db2.gz USQFYCWXDWXNEA-UZLBHIALSA-N 2 1 385.577 3.913 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000524156216 868627257 /nfs/dbraw/zinc/62/72/57/868627257.db2.gz VCATWOLQRBUDHI-OAHLLOKOSA-N 2 1 383.483 3.667 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC(F)F)cc1 ZINC000479902293 868671144 /nfs/dbraw/zinc/67/11/44/868671144.db2.gz KUVVLKCXGGBTGJ-MRXNPFEDSA-N 2 1 376.447 3.971 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000535398458 868690566 /nfs/dbraw/zinc/69/05/66/868690566.db2.gz SAEKQORJZPOVBU-VABKMULXSA-N 2 1 392.547 3.568 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000157574376 868691215 /nfs/dbraw/zinc/69/12/15/868691215.db2.gz DCYHVANPEKLNFX-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000158070575 868848154 /nfs/dbraw/zinc/84/81/54/868848154.db2.gz MCSHCPQDKLGZQJ-UHFFFAOYSA-N 2 1 391.987 3.539 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379624797 869034879 /nfs/dbraw/zinc/03/48/79/869034879.db2.gz JWEFCZXEHKVPGY-CGBFIWBNSA-N 2 1 375.557 3.931 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379624797 869034888 /nfs/dbraw/zinc/03/48/88/869034888.db2.gz JWEFCZXEHKVPGY-CGBFIWBNSA-N 2 1 375.557 3.931 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC[N@H+](Cc2ccccc2)C1 ZINC000532376595 882292627 /nfs/dbraw/zinc/29/26/27/882292627.db2.gz SCXNIYLKGSUIGP-QFIPXVFZSA-N 2 1 381.907 3.615 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000532376595 882292636 /nfs/dbraw/zinc/29/26/36/882292636.db2.gz SCXNIYLKGSUIGP-QFIPXVFZSA-N 2 1 381.907 3.615 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000446134221 869419394 /nfs/dbraw/zinc/41/93/94/869419394.db2.gz CVRACSDDLXHDSK-LJQANCHMSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000524751278 869496128 /nfs/dbraw/zinc/49/61/28/869496128.db2.gz LBAILAQVJPYDDB-VQIMIIECSA-N 2 1 380.374 3.610 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(Br)cc3)C2)CC1 ZINC000524751278 869496138 /nfs/dbraw/zinc/49/61/38/869496138.db2.gz LBAILAQVJPYDDB-VQIMIIECSA-N 2 1 380.374 3.610 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000524975284 869859486 /nfs/dbraw/zinc/85/94/86/869859486.db2.gz NAYARVRJXYPCQC-UHFFFAOYSA-N 2 1 387.527 3.859 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000462750546 870020085 /nfs/dbraw/zinc/02/00/85/870020085.db2.gz PKHQSUQYNBYRLA-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000462808078 870133417 /nfs/dbraw/zinc/13/34/17/870133417.db2.gz GOEHYYAQQDHMRD-CVDCTZTESA-N 2 1 377.532 3.533 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCCc2c(F)cccc2Cl)C1 ZINC000446752745 870297642 /nfs/dbraw/zinc/29/76/42/870297642.db2.gz IOOWLDDWQBLIIO-SFHVURJKSA-N 2 1 376.903 3.768 20 0 GHADMP CNC(=O)c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248164698 870305537 /nfs/dbraw/zinc/30/55/37/870305537.db2.gz SSRLAZBRRUNKIK-XZOQPEGZSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248164698 870305552 /nfs/dbraw/zinc/30/55/52/870305552.db2.gz SSRLAZBRRUNKIK-XZOQPEGZSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248164698 870305560 /nfs/dbraw/zinc/30/55/60/870305560.db2.gz SSRLAZBRRUNKIK-XZOQPEGZSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248164698 870305569 /nfs/dbraw/zinc/30/55/69/870305569.db2.gz SSRLAZBRRUNKIK-XZOQPEGZSA-N 2 1 377.532 3.533 20 0 GHADMP CNC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248164698 870305580 /nfs/dbraw/zinc/30/55/80/870305580.db2.gz SSRLAZBRRUNKIK-XZOQPEGZSA-N 2 1 377.532 3.533 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000173934780 882396091 /nfs/dbraw/zinc/39/60/91/882396091.db2.gz RXMGABXDGLHQNO-IBGZPJMESA-N 2 1 396.535 3.501 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000525300746 870355921 /nfs/dbraw/zinc/35/59/21/870355921.db2.gz OVISXPPCWHXRPC-IEBWSBKVSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000525300746 870355934 /nfs/dbraw/zinc/35/59/34/870355934.db2.gz OVISXPPCWHXRPC-IEBWSBKVSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000525300746 870355963 /nfs/dbraw/zinc/35/59/63/870355963.db2.gz OVISXPPCWHXRPC-IEBWSBKVSA-N 2 1 392.613 3.647 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000122037996 882402054 /nfs/dbraw/zinc/40/20/54/882402054.db2.gz RAIAPTUSZKTQGO-IBGZPJMESA-N 2 1 397.567 3.887 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000122041565 882403295 /nfs/dbraw/zinc/40/32/95/882403295.db2.gz KFADZRQPNIYJHV-SFHVURJKSA-N 2 1 393.547 3.532 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000122041565 882403302 /nfs/dbraw/zinc/40/33/02/882403302.db2.gz KFADZRQPNIYJHV-SFHVURJKSA-N 2 1 393.547 3.532 20 0 GHADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000248435702 870416650 /nfs/dbraw/zinc/41/66/50/870416650.db2.gz FWVCORNOWHMCFJ-XLIONFOSSA-N 2 1 384.520 3.511 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)c1ccccc1 ZINC001192515712 870450041 /nfs/dbraw/zinc/45/00/41/870450041.db2.gz RFZDZDKUQHIUBV-XXBNENTESA-N 2 1 397.538 3.814 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000538739590 870498127 /nfs/dbraw/zinc/49/81/27/870498127.db2.gz CEZPZPZXXJQVKS-UHFFFAOYSA-N 2 1 393.510 3.750 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1Oc1cccnc1 ZINC000538761680 870535850 /nfs/dbraw/zinc/53/58/50/870535850.db2.gz TWYSCUYGTHMHHW-QFIPXVFZSA-N 2 1 394.563 3.783 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)[C@@H](C)C1 ZINC000462959652 870581530 /nfs/dbraw/zinc/58/15/30/870581530.db2.gz VJXLBBFMVULBTF-MPGHIAIKSA-N 2 1 399.373 3.591 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)[C@@H](C)C1 ZINC000462959652 870581537 /nfs/dbraw/zinc/58/15/37/870581537.db2.gz VJXLBBFMVULBTF-MPGHIAIKSA-N 2 1 399.373 3.591 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000448470512 870626871 /nfs/dbraw/zinc/62/68/71/870626871.db2.gz FYSOSSYPYPYBLM-FCHUYYIVSA-N 2 1 392.632 3.652 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCS2 ZINC000248848508 870662048 /nfs/dbraw/zinc/66/20/48/870662048.db2.gz PPPODWNLOURBMP-WIYYLYMNSA-N 2 1 384.545 3.589 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000525448092 870704847 /nfs/dbraw/zinc/70/48/47/870704847.db2.gz MZQREAKMEYWEJB-NFBKMPQASA-N 2 1 394.563 3.595 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccccc2F)CC1)CC(C)C ZINC000540197011 870735123 /nfs/dbraw/zinc/73/51/23/870735123.db2.gz HNSATLQGRIYNIB-UHFFFAOYSA-N 2 1 377.548 3.522 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000538869019 870792403 /nfs/dbraw/zinc/79/24/03/870792403.db2.gz VBYACIVOFKEWPU-HGHGUNKESA-N 2 1 399.485 3.570 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000538869019 870792413 /nfs/dbraw/zinc/79/24/13/870792413.db2.gz VBYACIVOFKEWPU-HGHGUNKESA-N 2 1 399.485 3.570 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)C1 ZINC000249339601 870810754 /nfs/dbraw/zinc/81/07/54/870810754.db2.gz DGLGXMSRQHRSCZ-YHYVQYDKSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000249380286 870818544 /nfs/dbraw/zinc/81/85/44/870818544.db2.gz OYDXIGLAZCETIF-SFTDATJTSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000249380286 870818549 /nfs/dbraw/zinc/81/85/49/870818549.db2.gz OYDXIGLAZCETIF-SFTDATJTSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000249380286 870818554 /nfs/dbraw/zinc/81/85/54/870818554.db2.gz OYDXIGLAZCETIF-SFTDATJTSA-N 2 1 383.580 3.548 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1)CC(C)C ZINC000540277698 870896796 /nfs/dbraw/zinc/89/67/96/870896796.db2.gz OIGMYGBXORBKFL-IBGZPJMESA-N 2 1 382.637 3.752 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168840229 870901099 /nfs/dbraw/zinc/90/10/99/870901099.db2.gz STVNGADZFCOWII-UKAVVXHISA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CN1C(=O)OC(C)(C)C ZINC001168840229 870901106 /nfs/dbraw/zinc/90/11/06/870901106.db2.gz STVNGADZFCOWII-UKAVVXHISA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849103 870929225 /nfs/dbraw/zinc/92/92/25/870929225.db2.gz HDLSZWDDRYGODS-BDXSIMOUSA-N 2 1 391.581 3.510 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849103 870929233 /nfs/dbraw/zinc/92/92/33/870929233.db2.gz HDLSZWDDRYGODS-BDXSIMOUSA-N 2 1 391.581 3.510 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849103 870929240 /nfs/dbraw/zinc/92/92/40/870929240.db2.gz HDLSZWDDRYGODS-BDXSIMOUSA-N 2 1 391.581 3.510 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849103 870929245 /nfs/dbraw/zinc/92/92/45/870929245.db2.gz HDLSZWDDRYGODS-BDXSIMOUSA-N 2 1 391.581 3.510 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC000463121856 870961866 /nfs/dbraw/zinc/96/18/66/870961866.db2.gz BHTULQXDZWOJON-OIBXWCBGSA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)ncn1 ZINC000463121856 870961874 /nfs/dbraw/zinc/96/18/74/870961874.db2.gz BHTULQXDZWOJON-OIBXWCBGSA-N 2 1 393.579 3.651 20 0 GHADMP c1ccc(CC[NH+]2CCC(NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000463134006 870979700 /nfs/dbraw/zinc/97/97/00/870979700.db2.gz GSPLXUOEUHWERP-VWLOTQADSA-N 2 1 377.576 3.948 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000897351854 871013286 /nfs/dbraw/zinc/01/32/86/871013286.db2.gz BAIGAFKDOFAJQT-LZNRXBQRSA-N 2 1 387.568 3.504 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCCC4)[C@H]3c3ccco3)CC2)CC1 ZINC000617920937 871018913 /nfs/dbraw/zinc/01/89/13/871018913.db2.gz LJSLUAPMHHEKSZ-JOCHJYFZSA-N 2 1 399.579 3.920 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCCC4)[C@@H]3c3ccco3)CC2)CC1 ZINC000617920938 871019436 /nfs/dbraw/zinc/01/94/36/871019436.db2.gz LJSLUAPMHHEKSZ-QFIPXVFZSA-N 2 1 399.579 3.920 20 0 GHADMP COc1ccc(CN2CC[C@@H]([N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)CC2=O)cc1 ZINC001168947699 871036324 /nfs/dbraw/zinc/03/63/24/871036324.db2.gz PJEKLAULYUOYQV-FDFHNCONSA-N 2 1 399.579 3.525 20 0 GHADMP CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001193649007 871215654 /nfs/dbraw/zinc/21/56/54/871215654.db2.gz KQULVHLWGMXNOZ-JTHBVZDNSA-N 2 1 385.596 3.978 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131664 871223673 /nfs/dbraw/zinc/22/36/73/871223673.db2.gz XKKTUAJGUJZBHD-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131664 871223688 /nfs/dbraw/zinc/22/36/88/871223688.db2.gz XKKTUAJGUJZBHD-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131664 871223706 /nfs/dbraw/zinc/22/37/06/871223706.db2.gz XKKTUAJGUJZBHD-VQQMMKBISA-N 2 1 377.573 3.867 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463238576 871228886 /nfs/dbraw/zinc/22/88/86/871228886.db2.gz VZPQTRGKQKKXNW-RKNIQEAPSA-N 2 1 382.523 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463238576 871228911 /nfs/dbraw/zinc/22/89/11/871228911.db2.gz VZPQTRGKQKKXNW-RKNIQEAPSA-N 2 1 382.523 3.934 20 0 GHADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000539073347 871262192 /nfs/dbraw/zinc/26/21/92/871262192.db2.gz QUVLWFMCSMQYKI-KURKYZTESA-N 2 1 395.975 3.845 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000539122915 871352192 /nfs/dbraw/zinc/35/21/92/871352192.db2.gz XGWZALBPPIGTDR-NTKDMRAZSA-N 2 1 398.547 3.973 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000539122915 871352207 /nfs/dbraw/zinc/35/22/07/871352207.db2.gz XGWZALBPPIGTDR-NTKDMRAZSA-N 2 1 398.547 3.973 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000539147534 871376230 /nfs/dbraw/zinc/37/62/30/871376230.db2.gz KBZGJJYNTIMKKG-WOJBJXKFSA-N 2 1 390.568 3.564 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001169488341 871588056 /nfs/dbraw/zinc/58/80/56/871588056.db2.gz ZXJVPNICCAZYAW-QGZVFWFLSA-N 2 1 379.976 3.883 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC001169556849 871635671 /nfs/dbraw/zinc/63/56/71/871635671.db2.gz USFCVSZGLMVXND-APWZRJJASA-N 2 1 388.474 3.854 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)CC1 ZINC001169566353 871642415 /nfs/dbraw/zinc/64/24/15/871642415.db2.gz JCSAXZFMHBRQJB-IRLDBZIGSA-N 2 1 385.596 3.834 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001169669709 871739150 /nfs/dbraw/zinc/73/91/50/871739150.db2.gz VEEVMMYHJFYUSM-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001169669709 871739165 /nfs/dbraw/zinc/73/91/65/871739165.db2.gz VEEVMMYHJFYUSM-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001169712007 871799484 /nfs/dbraw/zinc/79/94/84/871799484.db2.gz XJFUTNAPRACJLB-NRFANRHFSA-N 2 1 391.531 3.733 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001169712007 871799492 /nfs/dbraw/zinc/79/94/92/871799492.db2.gz XJFUTNAPRACJLB-NRFANRHFSA-N 2 1 391.531 3.733 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC001194690413 871889346 /nfs/dbraw/zinc/88/93/46/871889346.db2.gz BWRIBCQTCLTUDJ-RPBOFIJWSA-N 2 1 377.576 3.930 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC001194690413 871889368 /nfs/dbraw/zinc/88/93/68/871889368.db2.gz BWRIBCQTCLTUDJ-RPBOFIJWSA-N 2 1 377.576 3.930 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC001194690413 871889390 /nfs/dbraw/zinc/88/93/90/871889390.db2.gz BWRIBCQTCLTUDJ-RPBOFIJWSA-N 2 1 377.576 3.930 20 0 GHADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169960780 872054876 /nfs/dbraw/zinc/05/48/76/872054876.db2.gz CEQOTAZOQUBLDO-LJQANCHMSA-N 2 1 398.469 3.945 20 0 GHADMP COc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(OCc2cccnc2)c1 ZINC000447732487 872218290 /nfs/dbraw/zinc/21/82/90/872218290.db2.gz PMPJBMBJNSIBJD-KNQAVFIVSA-N 2 1 381.520 3.585 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(C4CCCCC4)cc3)cn2)CC1 ZINC000552273875 872366431 /nfs/dbraw/zinc/36/64/31/872366431.db2.gz VMIRBGDBPSKXGD-UHFFFAOYSA-N 2 1 379.552 3.566 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447836012 872375416 /nfs/dbraw/zinc/37/54/16/872375416.db2.gz VYDYKIMWMKNDEI-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447836012 872375437 /nfs/dbraw/zinc/37/54/37/872375437.db2.gz VYDYKIMWMKNDEI-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[NH+]1Cc1ccccc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447836012 872375458 /nfs/dbraw/zinc/37/54/58/872375458.db2.gz VYDYKIMWMKNDEI-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540927265 872480148 /nfs/dbraw/zinc/48/01/48/872480148.db2.gz SSWCEWLMSLIHTQ-LJQANCHMSA-N 2 1 380.536 3.599 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000552359695 872515921 /nfs/dbraw/zinc/51/59/21/872515921.db2.gz NVAPRKDLXZKYMV-UHFFFAOYSA-N 2 1 394.563 3.662 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000619360605 872575133 /nfs/dbraw/zinc/57/51/33/872575133.db2.gz HXNOVFIQKGXWCJ-RTBURBONSA-N 2 1 394.629 3.722 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000540982694 872669511 /nfs/dbraw/zinc/66/95/11/872669511.db2.gz DNEITSWUATVGID-NZSAHSFTSA-N 2 1 399.485 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000540982694 872669516 /nfs/dbraw/zinc/66/95/16/872669516.db2.gz DNEITSWUATVGID-NZSAHSFTSA-N 2 1 399.485 3.713 20 0 GHADMP COCC[NH+]1CCC(N[C@@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540990243 872685742 /nfs/dbraw/zinc/68/57/42/872685742.db2.gz JPSTUQGVCXESRU-KRWDZBQOSA-N 2 1 376.488 3.810 20 0 GHADMP COCC[NH+]1CCC(N[C@H](CSC)c2ccc(C(F)(F)F)cc2)CC1 ZINC000540990244 872685998 /nfs/dbraw/zinc/68/59/98/872685998.db2.gz JPSTUQGVCXESRU-QGZVFWFLSA-N 2 1 376.488 3.810 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000478283512 872799373 /nfs/dbraw/zinc/79/93/73/872799373.db2.gz HIKMCGSPROQOLZ-CCKFTAQKSA-N 2 1 381.511 3.772 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000478283512 872799389 /nfs/dbraw/zinc/79/93/89/872799389.db2.gz HIKMCGSPROQOLZ-CCKFTAQKSA-N 2 1 381.511 3.772 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000076205658 882679585 /nfs/dbraw/zinc/67/95/85/882679585.db2.gz AZMRYUWZAOTBEL-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000768104190 873082717 /nfs/dbraw/zinc/08/27/17/873082717.db2.gz XAKXHTBKCWFAJA-UPVQGACJSA-N 2 1 380.532 3.689 20 0 GHADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000768104190 873082729 /nfs/dbraw/zinc/08/27/29/873082729.db2.gz XAKXHTBKCWFAJA-UPVQGACJSA-N 2 1 380.532 3.689 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000768174682 873130180 /nfs/dbraw/zinc/13/01/80/873130180.db2.gz KQAKOSPAKRUNQB-UHFFFAOYSA-N 2 1 379.426 3.838 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000768174682 873130185 /nfs/dbraw/zinc/13/01/85/873130185.db2.gz KQAKOSPAKRUNQB-UHFFFAOYSA-N 2 1 379.426 3.838 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768209616 873145583 /nfs/dbraw/zinc/14/55/83/873145583.db2.gz RTIGVUOTOYYBOP-CEXWTWQISA-N 2 1 397.604 3.501 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541223012 873182183 /nfs/dbraw/zinc/18/21/83/873182183.db2.gz CYDZDNAHNADJHH-HNAYVOBHSA-N 2 1 381.358 3.653 20 0 GHADMP Ic1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000768301842 873220581 /nfs/dbraw/zinc/22/05/81/873220581.db2.gz CPLCIXGTWDKDNN-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)c(F)c1 ZINC000768512617 873347770 /nfs/dbraw/zinc/34/77/70/873347770.db2.gz SANCYWPBZNFTCY-XJKSGUPXSA-N 2 1 385.321 3.882 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527648112 873402070 /nfs/dbraw/zinc/40/20/70/873402070.db2.gz DSYLFLVSZKRNAL-GFCCVEGCSA-N 2 1 383.359 3.721 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000541384688 873488609 /nfs/dbraw/zinc/48/86/09/873488609.db2.gz ZYRSSFRUHUZQON-UGKGYDQZSA-N 3 1 389.547 3.966 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000541384688 873488614 /nfs/dbraw/zinc/48/86/14/873488614.db2.gz ZYRSSFRUHUZQON-UGKGYDQZSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000541384688 873488620 /nfs/dbraw/zinc/48/86/20/873488620.db2.gz ZYRSSFRUHUZQON-UGKGYDQZSA-N 2 1 389.547 3.966 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC001197284686 873711920 /nfs/dbraw/zinc/71/19/20/873711920.db2.gz KNCGRIMKGDOBSO-UHFFFAOYSA-N 2 1 385.596 3.813 20 0 GHADMP OC[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001197630866 873963458 /nfs/dbraw/zinc/96/34/58/873963458.db2.gz UQXXKKVEDSYBRG-HXUWFJFHSA-N 2 1 384.486 3.578 20 0 GHADMP OC[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001197630866 873963461 /nfs/dbraw/zinc/96/34/61/873963461.db2.gz UQXXKKVEDSYBRG-HXUWFJFHSA-N 2 1 384.486 3.578 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000541686778 874095008 /nfs/dbraw/zinc/09/50/08/874095008.db2.gz JYNLZFNPMQDCEE-LBPRGKRZSA-N 2 1 390.285 3.745 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449011198 874356148 /nfs/dbraw/zinc/35/61/48/874356148.db2.gz PEJUFBQMMIUBBM-SFHVURJKSA-N 2 1 380.598 3.638 20 0 GHADMP CC(C)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000541849471 874377005 /nfs/dbraw/zinc/37/70/05/874377005.db2.gz RZKQACXQANLVLU-AZUAARDMSA-N 2 1 376.545 3.558 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000449100196 874472834 /nfs/dbraw/zinc/47/28/34/874472834.db2.gz PZQZMIOASFAQBW-OAQYLSRUSA-N 2 1 393.575 3.708 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000464835611 874571777 /nfs/dbraw/zinc/57/17/77/874571777.db2.gz QPZYQAXAIQTWJD-DNQXCXABSA-N 2 1 396.575 3.805 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000464835611 874571784 /nfs/dbraw/zinc/57/17/84/874571784.db2.gz QPZYQAXAIQTWJD-DNQXCXABSA-N 2 1 396.575 3.805 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000464835611 874571794 /nfs/dbraw/zinc/57/17/94/874571794.db2.gz QPZYQAXAIQTWJD-DNQXCXABSA-N 2 1 396.575 3.805 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1OC ZINC000449214012 874595337 /nfs/dbraw/zinc/59/53/37/874595337.db2.gz LGGSUFLEIBLDPN-SFHVURJKSA-N 2 1 396.531 3.667 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001198778534 874627514 /nfs/dbraw/zinc/62/75/14/874627514.db2.gz GNKTYBVMCHSHCQ-GOSISDBHSA-N 2 1 381.358 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cccc2C1 ZINC001199345407 874915458 /nfs/dbraw/zinc/91/54/58/874915458.db2.gz RBTKPXJPILDYEO-SFTDATJTSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cccc2C1 ZINC001199345407 874915470 /nfs/dbraw/zinc/91/54/70/874915470.db2.gz RBTKPXJPILDYEO-SFTDATJTSA-N 2 1 385.552 3.696 20 0 GHADMP COc1cc(OC)c(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000449466323 874922130 /nfs/dbraw/zinc/92/21/30/874922130.db2.gz FUAJKMGVNIDWSX-GOSISDBHSA-N 2 1 398.547 3.898 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000449672911 875246516 /nfs/dbraw/zinc/24/65/16/875246516.db2.gz YEUPXZYCIXZTFQ-BVYCBKJFSA-N 2 1 375.520 3.579 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2nnc[nH]2)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000449672911 875246530 /nfs/dbraw/zinc/24/65/30/875246530.db2.gz YEUPXZYCIXZTFQ-BVYCBKJFSA-N 2 1 375.520 3.579 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000303228741 875301927 /nfs/dbraw/zinc/30/19/27/875301927.db2.gz XUOZVEYHKUQQAL-HNNXBMFYSA-N 2 1 398.378 3.978 20 0 GHADMP CCC[NH+]1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000542336338 875398292 /nfs/dbraw/zinc/39/82/92/875398292.db2.gz URRCNCMILMFYEK-UHFFFAOYSA-N 2 1 379.548 3.923 20 0 GHADMP CC(C)CC[NH+]1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001201617105 875792892 /nfs/dbraw/zinc/79/28/92/875792892.db2.gz HRHDMZADNLLLIE-NRFANRHFSA-N 2 1 397.607 3.718 20 0 GHADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000542494444 882963668 /nfs/dbraw/zinc/96/36/68/882963668.db2.gz KAIGSUSLKAAAQV-VWLOTQADSA-N 2 1 395.591 3.998 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](Cn2c(C)c(C)n(CCOC)c2=S)CC1 ZINC000151804009 875944360 /nfs/dbraw/zinc/94/43/60/875944360.db2.gz PICIOCPGLCHPCU-UHFFFAOYSA-N 2 1 382.618 3.684 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cn2c(C)c(C)n(CCOC)c2=S)CC1 ZINC000151804009 875944367 /nfs/dbraw/zinc/94/43/67/875944367.db2.gz PICIOCPGLCHPCU-UHFFFAOYSA-N 2 1 382.618 3.684 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC001202096384 876001107 /nfs/dbraw/zinc/00/11/07/876001107.db2.gz ZJRXMBBJEDJAGD-UHFFFAOYSA-N 2 1 380.279 3.784 20 0 GHADMP CC(C)CCOc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000516625048 876048463 /nfs/dbraw/zinc/04/84/63/876048463.db2.gz RMLZJOKGLJRQHF-UHFFFAOYSA-N 2 1 382.508 3.511 20 0 GHADMP CN(C(=O)c1ccc2cnccc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000450228467 876092057 /nfs/dbraw/zinc/09/20/57/876092057.db2.gz UNLUPBWRZSHRAC-XZOQPEGZSA-N 2 1 394.563 3.644 20 0 GHADMP CSc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000173402264 876364148 /nfs/dbraw/zinc/36/41/48/876364148.db2.gz NNVJZGWIVFVRED-UWJYYQICSA-N 2 1 397.588 3.957 20 0 GHADMP Cc1nc(COc2ccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)no1 ZINC000192924735 883047657 /nfs/dbraw/zinc/04/76/57/883047657.db2.gz SUIDMHHIVUQRFX-OAQYLSRUSA-N 2 1 392.503 3.569 20 0 GHADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620813 876665933 /nfs/dbraw/zinc/66/59/33/876665933.db2.gz ZCLXUSXPGLOUJC-KLDKWKSESA-N 2 1 394.987 3.811 20 0 GHADMP C[C@H](O)C[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620813 876665941 /nfs/dbraw/zinc/66/59/41/876665941.db2.gz ZCLXUSXPGLOUJC-KLDKWKSESA-N 2 1 394.987 3.811 20 0 GHADMP C[C@H](O)C[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620813 876665945 /nfs/dbraw/zinc/66/59/45/876665945.db2.gz ZCLXUSXPGLOUJC-KLDKWKSESA-N 2 1 394.987 3.811 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC)c4ccccc34)CC2)CC1 ZINC000529933588 876860901 /nfs/dbraw/zinc/86/09/01/876860901.db2.gz YYRLEHUPAAKSKH-UHFFFAOYSA-N 2 1 395.547 3.983 20 0 GHADMP CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174189737 876888305 /nfs/dbraw/zinc/88/83/05/876888305.db2.gz ITXQKNGLNWESCH-NRFANRHFSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000850413706 876893573 /nfs/dbraw/zinc/89/35/73/876893573.db2.gz OFZLRAVCNILPLA-UHFFFAOYSA-N 2 1 394.563 3.854 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458452 876940054 /nfs/dbraw/zinc/94/00/54/876940054.db2.gz SNOSTCITTRQMTF-JPYJTQIMSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836327 876954983 /nfs/dbraw/zinc/95/49/83/876954983.db2.gz MZGCZHJNIQQLSR-SELNLUPBSA-N 2 1 392.547 3.777 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(N2CCNC2=O)cc1 ZINC000786836327 876954995 /nfs/dbraw/zinc/95/49/95/876954995.db2.gz MZGCZHJNIQQLSR-SELNLUPBSA-N 2 1 392.547 3.777 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC000850581000 877054459 /nfs/dbraw/zinc/05/44/59/877054459.db2.gz CHRIZWVSUNVSDW-JSNMRZPZSA-N 2 1 378.438 3.638 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc(F)cc(Cl)c1 ZINC000787035895 877112343 /nfs/dbraw/zinc/11/23/43/877112343.db2.gz OPHKSEHOACAQKC-NRFANRHFSA-N 2 1 394.893 3.948 20 0 GHADMP Clc1ccc(Br)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530247675 877328836 /nfs/dbraw/zinc/32/88/36/877328836.db2.gz BSWSGNXYZTWJRS-INIZCTEOSA-N 2 1 387.749 3.693 20 0 GHADMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530229981 877316084 /nfs/dbraw/zinc/31/60/84/877316084.db2.gz CETCBJJRJJRMSM-UHFFFAOYSA-N 2 1 376.504 3.754 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2C(F)(F)F)[C@@H](C)C1 ZINC000787305089 877331382 /nfs/dbraw/zinc/33/13/82/877331382.db2.gz QQCHRVUOWQWCQU-DZGCQCFKSA-N 2 1 393.881 3.980 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)nc2C(F)(F)F)[C@@H](C)C1 ZINC000787305089 877331389 /nfs/dbraw/zinc/33/13/89/877331389.db2.gz QQCHRVUOWQWCQU-DZGCQCFKSA-N 2 1 393.881 3.980 20 0 GHADMP C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000175012649 877403358 /nfs/dbraw/zinc/40/33/58/877403358.db2.gz KCSWMAFZKCEWRF-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc(Br)c1OC ZINC000666999499 877497021 /nfs/dbraw/zinc/49/70/21/877497021.db2.gz PYLVQGDATXMKSV-AWEZNQCLSA-N 2 1 383.330 3.621 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](CC)CC ZINC000551618512 877542425 /nfs/dbraw/zinc/54/24/25/877542425.db2.gz FOPGNEVNMGEBIU-IPELMVKDSA-N 2 1 383.939 3.709 20 0 GHADMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066416 912259275 /nfs/dbraw/zinc/25/92/75/912259275.db2.gz ZCDUDIFICZOVBA-RBUKOAKNSA-N 2 1 397.604 3.503 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699033 877665311 /nfs/dbraw/zinc/66/53/11/877665311.db2.gz JMGXHMRUOPUCEO-CBJLPSGESA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699033 877665321 /nfs/dbraw/zinc/66/53/21/877665321.db2.gz JMGXHMRUOPUCEO-CBJLPSGESA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699033 877665330 /nfs/dbraw/zinc/66/53/30/877665330.db2.gz JMGXHMRUOPUCEO-CBJLPSGESA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H](C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451334569 877821265 /nfs/dbraw/zinc/82/12/65/877821265.db2.gz CDRRZYDPFFFHPU-APZNWPTMSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H](C[NH+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334569 877821272 /nfs/dbraw/zinc/82/12/72/877821272.db2.gz CDRRZYDPFFFHPU-APZNWPTMSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H](C[NH+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334569 877821275 /nfs/dbraw/zinc/82/12/75/877821275.db2.gz CDRRZYDPFFFHPU-APZNWPTMSA-N 2 1 392.628 3.654 20 0 GHADMP C[N@@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000530494704 877906464 /nfs/dbraw/zinc/90/64/64/877906464.db2.gz IVTZKOIPUNFUTG-DNVJHFABSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)CC1 ZINC000530494704 877906481 /nfs/dbraw/zinc/90/64/81/877906481.db2.gz IVTZKOIPUNFUTG-DNVJHFABSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)CC1 ZINC000530494704 877906497 /nfs/dbraw/zinc/90/64/97/877906497.db2.gz IVTZKOIPUNFUTG-DNVJHFABSA-N 2 1 380.617 3.655 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000615621115 877928591 /nfs/dbraw/zinc/92/85/91/877928591.db2.gz KBLTYZUEVTYAPI-JOCHJYFZSA-N 2 1 388.600 3.614 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1F ZINC000477619838 877957285 /nfs/dbraw/zinc/95/72/85/877957285.db2.gz ZFTHGPGCAPGWSY-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245584634 878148854 /nfs/dbraw/zinc/14/88/54/878148854.db2.gz AELHWJAWLYSFJP-YADHBBJMSA-N 2 1 386.584 3.684 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245584634 878148858 /nfs/dbraw/zinc/14/88/58/878148858.db2.gz AELHWJAWLYSFJP-YADHBBJMSA-N 2 1 386.584 3.684 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245584634 878148861 /nfs/dbraw/zinc/14/88/61/878148861.db2.gz AELHWJAWLYSFJP-YADHBBJMSA-N 2 1 386.584 3.684 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451565706 878162263 /nfs/dbraw/zinc/16/22/63/878162263.db2.gz LSJNFFYTXQCROI-ZYOFANERSA-N 2 1 378.532 3.539 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451565706 878162272 /nfs/dbraw/zinc/16/22/72/878162272.db2.gz LSJNFFYTXQCROI-ZYOFANERSA-N 2 1 378.532 3.539 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451565706 878162280 /nfs/dbraw/zinc/16/22/80/878162280.db2.gz LSJNFFYTXQCROI-ZYOFANERSA-N 2 1 378.532 3.539 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000530782144 878510041 /nfs/dbraw/zinc/51/00/41/878510041.db2.gz HNSACOQFHQADAM-GOSISDBHSA-N 2 1 395.551 3.902 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245775958 878576957 /nfs/dbraw/zinc/57/69/57/878576957.db2.gz YBLRXKUZTCQYBC-GPJHCHHRSA-N 2 1 380.532 3.520 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245774901 878577456 /nfs/dbraw/zinc/57/74/56/878577456.db2.gz XYBJWOJVGXQCQF-CUPZBTRVSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245774901 878577465 /nfs/dbraw/zinc/57/74/65/878577465.db2.gz XYBJWOJVGXQCQF-CUPZBTRVSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245774901 878577484 /nfs/dbraw/zinc/57/74/84/878577484.db2.gz XYBJWOJVGXQCQF-CUPZBTRVSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@H](C)O1 ZINC000245774901 878577499 /nfs/dbraw/zinc/57/74/99/878577499.db2.gz XYBJWOJVGXQCQF-CUPZBTRVSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@H](C)O1 ZINC000245774901 878577518 /nfs/dbraw/zinc/57/75/18/878577518.db2.gz XYBJWOJVGXQCQF-CUPZBTRVSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000245930229 878768466 /nfs/dbraw/zinc/76/84/66/878768466.db2.gz IECGYPKFWMVYKO-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000245930229 878768481 /nfs/dbraw/zinc/76/84/81/878768481.db2.gz IECGYPKFWMVYKO-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000245930229 878768494 /nfs/dbraw/zinc/76/84/94/878768494.db2.gz IECGYPKFWMVYKO-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853093804 878810360 /nfs/dbraw/zinc/81/03/60/878810360.db2.gz RQVMSKYYWBPEKM-FQEVSTJZSA-N 2 1 379.589 3.735 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000246031714 878877279 /nfs/dbraw/zinc/87/72/79/878877279.db2.gz MOBAVFQAJMZLGS-RPWUZVMVSA-N 2 1 391.559 3.933 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246050800 878903398 /nfs/dbraw/zinc/90/33/98/878903398.db2.gz PNYWRXPDLJOCDW-DUXKGJEZSA-N 2 1 378.582 3.506 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2cccc(F)c2)CC1 ZINC000538188360 879003370 /nfs/dbraw/zinc/00/33/70/879003370.db2.gz PFVYAHVHOGAPCM-UHFFFAOYSA-N 2 1 397.538 3.693 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000649330015 879028067 /nfs/dbraw/zinc/02/80/67/879028067.db2.gz PPMZQTNEIGIJFF-SIKLNZKXSA-N 2 1 394.563 3.538 20 0 GHADMP CC[NH+](CC)C[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000531065177 879056245 /nfs/dbraw/zinc/05/62/45/879056245.db2.gz UHYXDKYCNSTPFJ-XMMPIXPASA-N 2 1 393.575 3.879 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000111559316 879255053 /nfs/dbraw/zinc/25/50/53/879255053.db2.gz PIZOWBYWJQDEDX-HXUWFJFHSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CCCO1 ZINC000761579893 879329497 /nfs/dbraw/zinc/32/94/97/879329497.db2.gz PZCIKEDSHFHMPD-KRWDZBQOSA-N 2 1 384.549 3.653 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CCCO1 ZINC000761579893 879329517 /nfs/dbraw/zinc/32/95/17/879329517.db2.gz PZCIKEDSHFHMPD-KRWDZBQOSA-N 2 1 384.549 3.653 20 0 GHADMP C[C@@H](CCc1ccccc1)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000538400232 879383479 /nfs/dbraw/zinc/38/34/79/879383479.db2.gz KBLRSSXODYSBPJ-GBXCKJPGSA-N 2 1 393.575 3.742 20 0 GHADMP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246343830 879433193 /nfs/dbraw/zinc/43/31/93/879433193.db2.gz OXJVFWHIAQUIRD-AZUAARDMSA-N 2 1 392.613 3.552 20 0 GHADMP O=C(c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1)N1CCCCC1 ZINC000246489790 879616112 /nfs/dbraw/zinc/61/61/12/879616112.db2.gz HAOALKICNODXCQ-JTHBVZDNSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1)N1CCCCC1 ZINC000246489790 879616116 /nfs/dbraw/zinc/61/61/16/879616116.db2.gz HAOALKICNODXCQ-JTHBVZDNSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1)N1CCCCC1 ZINC000246489790 879616120 /nfs/dbraw/zinc/61/61/20/879616120.db2.gz HAOALKICNODXCQ-JTHBVZDNSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1)N1CCCCC1 ZINC000246489790 879616124 /nfs/dbraw/zinc/61/61/24/879616124.db2.gz HAOALKICNODXCQ-JTHBVZDNSA-N 2 1 381.564 3.761 20 0 GHADMP O=C1O[C@@]2(CN1C[N@H+]1C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]31)C[NH+]1CCC2CC1 ZINC000790385972 879657775 /nfs/dbraw/zinc/65/77/75/879657775.db2.gz OPGAQMZYXCBPTD-JVNMPXIPSA-N 2 1 395.547 3.519 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cc(NC(=O)C[NH+]2CCCC[C@H]2C)ccc1F ZINC000538546074 879692453 /nfs/dbraw/zinc/69/24/53/879692453.db2.gz MQJDVBNEWLHXNR-VIPLHTEESA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000538546074 879692459 /nfs/dbraw/zinc/69/24/59/879692459.db2.gz MQJDVBNEWLHXNR-VIPLHTEESA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000538546074 879692465 /nfs/dbraw/zinc/69/24/65/879692465.db2.gz MQJDVBNEWLHXNR-VIPLHTEESA-N 2 1 390.547 3.779 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccccc1 ZINC000493965835 879782432 /nfs/dbraw/zinc/78/24/32/879782432.db2.gz WYMTWMAVJWHNCK-HSZRJFAPSA-N 2 1 379.548 3.982 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000493966371 879782934 /nfs/dbraw/zinc/78/29/34/879782934.db2.gz AEMRLFKNLMQCMB-HYBUGGRVSA-N 2 1 381.564 3.690 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246865827 879833147 /nfs/dbraw/zinc/83/31/47/879833147.db2.gz PWMNRXQGLMUWLI-URLQWDBASA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246865827 879833164 /nfs/dbraw/zinc/83/31/64/879833164.db2.gz PWMNRXQGLMUWLI-URLQWDBASA-N 2 1 399.362 3.682 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000140014113 879857949 /nfs/dbraw/zinc/85/79/49/879857949.db2.gz KFEMFOXWVSTKNY-GOTSBHOMSA-N 2 1 391.559 3.698 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000140014113 879857961 /nfs/dbraw/zinc/85/79/61/879857961.db2.gz KFEMFOXWVSTKNY-GOTSBHOMSA-N 2 1 391.559 3.698 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@@H]21 ZINC000140014113 879857978 /nfs/dbraw/zinc/85/79/78/879857978.db2.gz KFEMFOXWVSTKNY-GOTSBHOMSA-N 2 1 391.559 3.698 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247015532 879885175 /nfs/dbraw/zinc/88/51/75/879885175.db2.gz XQKNHWGZHFKIGW-UCLAIMLFSA-N 2 1 399.362 3.682 20 0 GHADMP C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247035675 879895243 /nfs/dbraw/zinc/89/52/43/879895243.db2.gz RNDOLEYAXKMHBD-QHAWAJNXSA-N 2 1 383.580 3.546 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000247072635 879907642 /nfs/dbraw/zinc/90/76/42/879907642.db2.gz QHAQYXLWBBNWTA-HYBUGGRVSA-N 2 1 380.580 3.922 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCCc4ccc(Br)cc43)C2)CC1 ZINC000247280497 879961029 /nfs/dbraw/zinc/96/10/29/879961029.db2.gz YOMXRXVJMGJEFR-QUCCMNQESA-N 2 1 392.385 3.538 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)c1ccccc1 ZINC000247419643 879995448 /nfs/dbraw/zinc/99/54/48/879995448.db2.gz DNNAQFBKCWWSAF-UCBGAZFYSA-N 2 1 391.559 3.991 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000247419643 879995456 /nfs/dbraw/zinc/99/54/56/879995456.db2.gz DNNAQFBKCWWSAF-UCBGAZFYSA-N 2 1 391.559 3.991 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000247419643 879995466 /nfs/dbraw/zinc/99/54/66/879995466.db2.gz DNNAQFBKCWWSAF-UCBGAZFYSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000854676308 879997817 /nfs/dbraw/zinc/99/78/17/879997817.db2.gz KJLRCXIOEPHVRD-LJQANCHMSA-N 2 1 375.601 3.754 20 0 GHADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677424 880306518 /nfs/dbraw/zinc/30/65/18/880306518.db2.gz VZBCGNZETRQJPZ-YLJYHZDGSA-N 2 1 375.557 3.787 20 0 GHADMP C[C@H](NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000184749543 880373124 /nfs/dbraw/zinc/37/31/24/880373124.db2.gz LTMVEAJUALDNIS-BZSNNMDCSA-N 2 1 385.577 3.672 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453123368 880500666 /nfs/dbraw/zinc/50/06/66/880500666.db2.gz NJESXWAOZIVCGJ-PFDCGNQRSA-N 2 1 383.580 3.666 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000531932477 880783535 /nfs/dbraw/zinc/78/35/35/880783535.db2.gz NJRQHRCFDNBTLT-CXAGYDPISA-N 2 1 383.483 3.805 20 0 GHADMP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCSc3ccc(F)cc32)c2ccccc2)CC1 ZINC000531965302 880831766 /nfs/dbraw/zinc/83/17/66/880831766.db2.gz SBLCLIFIQBQMMF-SFTDATJTSA-N 2 1 385.552 3.941 20 0 GHADMP Cn1ccnc1[C@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453398903 880867297 /nfs/dbraw/zinc/86/72/97/880867297.db2.gz NIRMXRNUKPKWAL-JYAXOCDNSA-N 2 1 382.552 3.673 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000776864780 880912577 /nfs/dbraw/zinc/91/25/77/880912577.db2.gz MHIDIOMYROWQJO-TZIWHRDSSA-N 2 1 387.568 3.540 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000776866835 880916386 /nfs/dbraw/zinc/91/63/86/880916386.db2.gz ZWZYAGGIGFHMJJ-WAGURGNTSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000776866835 880916392 /nfs/dbraw/zinc/91/63/92/880916392.db2.gz ZWZYAGGIGFHMJJ-WAGURGNTSA-N 2 1 387.568 3.886 20 0 GHADMP CCC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2Cl)CC1 ZINC000776870208 880918153 /nfs/dbraw/zinc/91/81/53/880918153.db2.gz JOOXVPYJLXVIBV-MOPGFXCFSA-N 2 1 376.976 3.911 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1OC ZINC000532016124 880931310 /nfs/dbraw/zinc/93/13/10/880931310.db2.gz SQBGFQYBOSGSTL-SFTDATJTSA-N 2 1 390.568 3.732 20 0 GHADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000453467758 880974713 /nfs/dbraw/zinc/97/47/13/880974713.db2.gz ZDERCSKSQNOOGE-VPBXCIAMSA-N 2 1 378.560 3.992 20 0 GHADMP CCC[N@H+](Cc1cnn2ccccc12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537623331 881149156 /nfs/dbraw/zinc/14/91/56/881149156.db2.gz CWDUGVFQMFXASC-UHFFFAOYSA-N 2 1 378.524 3.622 20 0 GHADMP CCC[N@@H+](Cc1cnn2ccccc12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000537623331 881149168 /nfs/dbraw/zinc/14/91/68/881149168.db2.gz CWDUGVFQMFXASC-UHFFFAOYSA-N 2 1 378.524 3.622 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286281901 912666439 /nfs/dbraw/zinc/66/64/39/912666439.db2.gz VUOAVZSYQKCVCJ-FUHIMQAGSA-N 2 1 379.504 3.721 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286281901 912666443 /nfs/dbraw/zinc/66/64/43/912666443.db2.gz VUOAVZSYQKCVCJ-FUHIMQAGSA-N 2 1 379.504 3.721 20 0 GHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000537692448 883161895 /nfs/dbraw/zinc/16/18/95/883161895.db2.gz LEARYDDMOUXSKQ-XKCSPQBFSA-N 2 1 381.520 3.866 20 0 GHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000537692448 883161904 /nfs/dbraw/zinc/16/19/04/883161904.db2.gz LEARYDDMOUXSKQ-XKCSPQBFSA-N 2 1 381.520 3.866 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000551086934 883263093 /nfs/dbraw/zinc/26/30/93/883263093.db2.gz GQURJNNSMPSCRY-FUHWJXTLSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000551086934 883263105 /nfs/dbraw/zinc/26/31/05/883263105.db2.gz GQURJNNSMPSCRY-FUHWJXTLSA-N 2 1 379.426 3.904 20 0 GHADMP Cc1cc(Cl)ccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910518 883349903 /nfs/dbraw/zinc/34/99/03/883349903.db2.gz FNMLWOMEZINNAN-IBGZPJMESA-N 2 1 394.906 3.887 20 0 GHADMP Cc1cc(Cl)ccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910518 883349922 /nfs/dbraw/zinc/34/99/22/883349922.db2.gz FNMLWOMEZINNAN-IBGZPJMESA-N 2 1 394.906 3.887 20 0 GHADMP Fc1cccc(-c2noc([C@]34C[N@@H+](Cc5ccccc5)C[C@H]3C[NH2+]CCC4)n2)c1 ZINC001212261383 883426998 /nfs/dbraw/zinc/42/69/98/883426998.db2.gz YGEZPHOAEJMYRQ-AUSIDOKSSA-N 2 1 392.478 3.629 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1ccc(F)cc1 ZINC000476978797 883518113 /nfs/dbraw/zinc/51/81/13/883518113.db2.gz CPTVWLPQDNGBFP-MOPGFXCFSA-N 2 1 389.559 3.979 20 0 GHADMP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000476987031 883543437 /nfs/dbraw/zinc/54/34/37/883543437.db2.gz QDZFKOSVFZQXRT-MOPGFXCFSA-N 2 1 375.601 3.752 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000477026189 883564587 /nfs/dbraw/zinc/56/45/87/883564587.db2.gz VFXWTWHKPRSVQL-YOEHRIQHSA-N 2 1 385.474 3.563 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C(C)(C)O1 ZINC000551263752 883572473 /nfs/dbraw/zinc/57/24/73/883572473.db2.gz DNWWROCANQGSAR-NHCUHLMSSA-N 2 1 386.580 3.851 20 0 GHADMP Cc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1Cl ZINC001211911251 883639261 /nfs/dbraw/zinc/63/92/61/883639261.db2.gz PTDFURAODCQJKU-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1Cl ZINC001211911251 883639270 /nfs/dbraw/zinc/63/92/70/883639270.db2.gz PTDFURAODCQJKU-GOSISDBHSA-N 2 1 394.906 3.887 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000194169204 883705991 /nfs/dbraw/zinc/70/59/91/883705991.db2.gz BNXWPLMRIDQWQY-YADHBBJMSA-N 2 1 388.939 3.774 20 0 GHADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000194169204 883705999 /nfs/dbraw/zinc/70/59/99/883705999.db2.gz BNXWPLMRIDQWQY-YADHBBJMSA-N 2 1 388.939 3.774 20 0 GHADMP C[Si](C)(CC[NH+]1CCc2ncsc2C1)CC[N@H+]1CCc2ncsc2C1 ZINC000859269428 883708900 /nfs/dbraw/zinc/70/89/00/883708900.db2.gz BAHLICJBDBVEEH-UHFFFAOYSA-N 2 1 392.670 3.724 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@H]1c1cc[nH]n1)CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000859282455 883716181 /nfs/dbraw/zinc/71/61/81/883716181.db2.gz IADJCWBJHQKIID-PMACEKPBSA-N 2 1 386.620 3.815 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000556206447 884090482 /nfs/dbraw/zinc/09/04/82/884090482.db2.gz NOEMRNIKCOXTNN-QHCPKHFHSA-N 2 1 383.580 3.730 20 0 GHADMP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000494881241 884108047 /nfs/dbraw/zinc/10/80/47/884108047.db2.gz VZCLQBSWFXQNKB-XUZZJYLKSA-N 2 1 398.522 3.915 20 0 GHADMP Cc1nccn1CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000859962895 884216724 /nfs/dbraw/zinc/21/67/24/884216724.db2.gz WJPBZHHQUVOVFX-WOJBJXKFSA-N 2 1 395.528 3.712 20 0 GHADMP Cc1[nH+]ccn1CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000859962895 884216736 /nfs/dbraw/zinc/21/67/36/884216736.db2.gz WJPBZHHQUVOVFX-WOJBJXKFSA-N 2 1 395.528 3.712 20 0 GHADMP Cc1[nH+]ccn1CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000859962895 884216754 /nfs/dbraw/zinc/21/67/54/884216754.db2.gz WJPBZHHQUVOVFX-WOJBJXKFSA-N 2 1 395.528 3.712 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860039085 884281463 /nfs/dbraw/zinc/28/14/63/884281463.db2.gz YQTKFVCAJGYSEK-HAGHYFMRSA-N 2 1 388.556 3.549 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860039085 884281481 /nfs/dbraw/zinc/28/14/81/884281481.db2.gz YQTKFVCAJGYSEK-HAGHYFMRSA-N 2 1 388.556 3.549 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)cc1 ZINC000428548039 884606687 /nfs/dbraw/zinc/60/66/87/884606687.db2.gz DPBHOGBYXQURHD-QHCPKHFHSA-N 2 1 395.547 3.737 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1 ZINC000428548039 884606694 /nfs/dbraw/zinc/60/66/94/884606694.db2.gz DPBHOGBYXQURHD-QHCPKHFHSA-N 2 1 395.547 3.737 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1 ZINC000428548039 884606701 /nfs/dbraw/zinc/60/67/01/884606701.db2.gz DPBHOGBYXQURHD-QHCPKHFHSA-N 2 1 395.547 3.737 20 0 GHADMP O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498598468 884990521 /nfs/dbraw/zinc/99/05/21/884990521.db2.gz RPGWJFASBIOKGP-RTWAWAEBSA-N 2 1 381.520 3.587 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)CC1 ZINC000556496740 885148986 /nfs/dbraw/zinc/14/89/86/885148986.db2.gz DNSYVLLUWDNKEZ-JWQCQUIFSA-N 2 1 399.623 3.721 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000303049706 885439389 /nfs/dbraw/zinc/43/93/89/885439389.db2.gz XVALSPNSHOJPHI-RXVVDRJESA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000303049706 885439400 /nfs/dbraw/zinc/43/94/00/885439400.db2.gz XVALSPNSHOJPHI-RXVVDRJESA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2sccc2C1 ZINC000303049706 885439412 /nfs/dbraw/zinc/43/94/12/885439412.db2.gz XVALSPNSHOJPHI-RXVVDRJESA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2sccc2C1 ZINC000303049706 885439428 /nfs/dbraw/zinc/43/94/28/885439428.db2.gz XVALSPNSHOJPHI-RXVVDRJESA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000303049705 885439695 /nfs/dbraw/zinc/43/96/95/885439695.db2.gz XVALSPNSHOJPHI-NQIIRXRSSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000303049705 885439705 /nfs/dbraw/zinc/43/97/05/885439705.db2.gz XVALSPNSHOJPHI-NQIIRXRSSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2sccc2C1 ZINC000303049705 885439714 /nfs/dbraw/zinc/43/97/14/885439714.db2.gz XVALSPNSHOJPHI-NQIIRXRSSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2sccc2C1 ZINC000303049705 885439726 /nfs/dbraw/zinc/43/97/26/885439726.db2.gz XVALSPNSHOJPHI-NQIIRXRSSA-N 2 1 397.588 3.523 20 0 GHADMP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000495368926 885540741 /nfs/dbraw/zinc/54/07/41/885540741.db2.gz MAPRPPCXQWBRTD-ZJOUEHCJSA-N 2 1 395.547 3.913 20 0 GHADMP Brc1ccccc1C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655770977 885762736 /nfs/dbraw/zinc/76/27/36/885762736.db2.gz WCGFBEFCZUFYLD-KRWDZBQOSA-N 2 1 393.369 3.714 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000193382867 885879478 /nfs/dbraw/zinc/87/94/78/885879478.db2.gz WNCVKZHSVSOLKP-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852030 885938481 /nfs/dbraw/zinc/93/84/81/885938481.db2.gz SLNODNWINUAQIJ-FCHUYYIVSA-N 2 1 388.596 3.994 20 0 GHADMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852030 885938503 /nfs/dbraw/zinc/93/85/03/885938503.db2.gz SLNODNWINUAQIJ-FCHUYYIVSA-N 2 1 388.596 3.994 20 0 GHADMP C[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000670174910 885996093 /nfs/dbraw/zinc/99/60/93/885996093.db2.gz BVKZGHQJRDXNKD-QGZVFWFLSA-N 2 1 392.613 3.647 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000498944763 886163486 /nfs/dbraw/zinc/16/34/86/886163486.db2.gz UGNPDHKIXNEAGA-ZEQRLZLVSA-N 2 1 380.507 3.988 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000498944763 886163497 /nfs/dbraw/zinc/16/34/97/886163497.db2.gz UGNPDHKIXNEAGA-ZEQRLZLVSA-N 2 1 380.507 3.988 20 0 GHADMP FC(F)(F)COCCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000498935177 886171359 /nfs/dbraw/zinc/17/13/59/886171359.db2.gz KWWRYFZIEQSTLI-UHFFFAOYSA-N 2 1 387.833 3.979 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)on1 ZINC000056162143 886181012 /nfs/dbraw/zinc/18/10/12/886181012.db2.gz QBECPTSGTCDEGF-BQFCYCMXSA-N 2 1 384.524 3.578 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862229996 886227481 /nfs/dbraw/zinc/22/74/81/886227481.db2.gz VNHBCPGQAFXJTR-QGZVFWFLSA-N 2 1 389.531 3.683 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000118772214 886261586 /nfs/dbraw/zinc/26/15/86/886261586.db2.gz ZQTKKPJBZIFVCZ-IBGZPJMESA-N 2 1 382.552 3.945 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000118772214 886261612 /nfs/dbraw/zinc/26/16/12/886261612.db2.gz ZQTKKPJBZIFVCZ-IBGZPJMESA-N 2 1 382.552 3.945 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000808388830 886319973 /nfs/dbraw/zinc/31/99/73/886319973.db2.gz AZPIABPBCMPRIM-KSSFIOAISA-N 2 1 399.348 3.752 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000118949505 886357424 /nfs/dbraw/zinc/35/74/24/886357424.db2.gz XFNWOAHUWHLJSY-DENIHFKCSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000118949505 886357444 /nfs/dbraw/zinc/35/74/44/886357444.db2.gz XFNWOAHUWHLJSY-DENIHFKCSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000118949505 886357459 /nfs/dbraw/zinc/35/74/59/886357459.db2.gz XFNWOAHUWHLJSY-DENIHFKCSA-N 2 1 388.600 3.933 20 0 GHADMP CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000556873338 886435486 /nfs/dbraw/zinc/43/54/86/886435486.db2.gz PWPAFIMXRRWPLF-KXTRFFEISA-N 2 1 393.575 3.719 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n(C)c1C ZINC000556885100 886458229 /nfs/dbraw/zinc/45/82/29/886458229.db2.gz UWRPSORCRYBMEU-UHFFFAOYSA-N 2 1 395.547 3.608 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000465503568 886815136 /nfs/dbraw/zinc/81/51/36/886815136.db2.gz DCORUBCLUZBIFV-VXKWHMMOSA-N 2 1 386.584 3.504 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000125178425 886835567 /nfs/dbraw/zinc/83/55/67/886835567.db2.gz HAEHQKXRCTWRHO-QZTJIDSGSA-N 2 1 376.508 3.539 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCN(C4CCCCC4)C3=O)cc2)CC1 ZINC000863370004 887064485 /nfs/dbraw/zinc/06/44/85/887064485.db2.gz UPXDQCDJRFEICZ-HSZRJFAPSA-N 2 1 398.595 3.810 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](C)c3ccc(F)cc3)cc2)CC1 ZINC000014703315 887206981 /nfs/dbraw/zinc/20/69/81/887206981.db2.gz NDLLPJDWFXNXKC-SFHVURJKSA-N 2 1 398.526 3.599 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)c3ccc(F)cc3)cc2)CC1 ZINC000014703315 887207000 /nfs/dbraw/zinc/20/70/00/887207000.db2.gz NDLLPJDWFXNXKC-SFHVURJKSA-N 2 1 398.526 3.599 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC1)CC(C)C ZINC000459310554 887251250 /nfs/dbraw/zinc/25/12/50/887251250.db2.gz NNTCXAIBASPAQA-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1)CC(C)C ZINC000459310554 887251265 /nfs/dbraw/zinc/25/12/65/887251265.db2.gz NNTCXAIBASPAQA-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1)CC(C)C ZINC000459310554 887251281 /nfs/dbraw/zinc/25/12/81/887251281.db2.gz NNTCXAIBASPAQA-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP COc1cccc(C[C@H]([NH3+])c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000863659047 887268263 /nfs/dbraw/zinc/26/82/63/887268263.db2.gz ZXJCXRYXRNMGQU-FQEVSTJZSA-N 2 1 378.476 3.584 20 0 GHADMP CCOc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(Br)c1O ZINC000459319671 887303198 /nfs/dbraw/zinc/30/31/98/887303198.db2.gz XVGJHZWNJIBWNT-UHFFFAOYSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(Br)c1O ZINC000459319671 887303212 /nfs/dbraw/zinc/30/32/12/887303212.db2.gz XVGJHZWNJIBWNT-UHFFFAOYSA-N 2 1 385.346 3.858 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000129605553 887326875 /nfs/dbraw/zinc/32/68/75/887326875.db2.gz RGWJYGFINVBPET-LXZJYRNTSA-N 2 1 392.613 3.503 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000129605553 887326889 /nfs/dbraw/zinc/32/68/89/887326889.db2.gz RGWJYGFINVBPET-LXZJYRNTSA-N 2 1 392.613 3.503 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000129605553 887326903 /nfs/dbraw/zinc/32/69/03/887326903.db2.gz RGWJYGFINVBPET-LXZJYRNTSA-N 2 1 392.613 3.503 20 0 GHADMP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459348088 887545186 /nfs/dbraw/zinc/54/51/86/887545186.db2.gz QWQDTIVNJPGHSZ-IBGZPJMESA-N 2 1 379.552 3.978 20 0 GHADMP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459348088 887545207 /nfs/dbraw/zinc/54/52/07/887545207.db2.gz QWQDTIVNJPGHSZ-IBGZPJMESA-N 2 1 379.552 3.978 20 0 GHADMP C[NH+](C)[C@@H](CNc1cc(N2CCOCC2)cc[nH+]1)c1ccc(Cl)cc1Cl ZINC001170584482 887644055 /nfs/dbraw/zinc/64/40/55/887644055.db2.gz ARLDXTSMCIMPKP-SFHVURJKSA-N 2 1 395.334 3.940 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccsc1 ZINC000105123991 887694426 /nfs/dbraw/zinc/69/44/26/887694426.db2.gz AGSFHISZEOARAI-MJGOQNOKSA-N 2 1 380.602 3.551 20 0 GHADMP C[NH+](C)[C@H](CNc1ncccc1N1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC001170585543 887718046 /nfs/dbraw/zinc/71/80/46/887718046.db2.gz MXNZAKXTUIHOQJ-GOSISDBHSA-N 2 1 394.350 3.513 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000809954758 888022150 /nfs/dbraw/zinc/02/21/50/888022150.db2.gz FMPHBUQLDQDMSM-UAFMIMERSA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000809954758 888022161 /nfs/dbraw/zinc/02/21/61/888022161.db2.gz FMPHBUQLDQDMSM-UAFMIMERSA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000809954758 888022172 /nfs/dbraw/zinc/02/21/72/888022172.db2.gz FMPHBUQLDQDMSM-UAFMIMERSA-N 2 1 379.589 3.734 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000054719175 888034325 /nfs/dbraw/zinc/03/43/25/888034325.db2.gz YSPGIVWSDZCPTG-UNMCSNQZSA-N 2 1 386.584 3.633 20 0 GHADMP C[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001170594540 888070665 /nfs/dbraw/zinc/07/06/65/888070665.db2.gz UIWQIWQXMNXDEA-DNQXCXABSA-N 2 1 378.564 3.642 20 0 GHADMP C[NH+]1CCC[C@@H]1CN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001170594540 888070676 /nfs/dbraw/zinc/07/06/76/888070676.db2.gz UIWQIWQXMNXDEA-DNQXCXABSA-N 2 1 378.564 3.642 20 0 GHADMP C[NH+]1CCC[C@@H]1CN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001170594540 888070688 /nfs/dbraw/zinc/07/06/88/888070688.db2.gz UIWQIWQXMNXDEA-DNQXCXABSA-N 2 1 378.564 3.642 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810085261 888139674 /nfs/dbraw/zinc/13/96/74/888139674.db2.gz PGCUOVAPVAULJA-PMACEKPBSA-N 2 1 379.589 3.830 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000120473589 888276346 /nfs/dbraw/zinc/27/63/46/888276346.db2.gz REHPQBHYYVLJFG-NRFANRHFSA-N 2 1 376.903 3.809 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2C1 ZINC000865416825 888335218 /nfs/dbraw/zinc/33/52/18/888335218.db2.gz NNMIECOKSFVYNX-IAGOWNOFSA-N 2 1 391.581 3.758 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2sc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000865416825 888335226 /nfs/dbraw/zinc/33/52/26/888335226.db2.gz NNMIECOKSFVYNX-IAGOWNOFSA-N 2 1 391.581 3.758 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3OC(F)(F)F)cc2)C1 ZINC000865624165 888484001 /nfs/dbraw/zinc/48/40/01/888484001.db2.gz VLRWCFWXIPIDKT-QGZVFWFLSA-N 2 1 398.400 3.581 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)s1 ZINC000865710113 888532957 /nfs/dbraw/zinc/53/29/57/888532957.db2.gz HSYDKMHAKFHVBY-HNNXBMFYSA-N 2 1 396.601 3.720 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)[nH+]c1 ZINC000194140299 888559378 /nfs/dbraw/zinc/55/93/78/888559378.db2.gz JASIQBCTOIVWDM-UHFFFAOYSA-N 2 1 392.547 3.519 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717920 888794273 /nfs/dbraw/zinc/79/42/73/888794273.db2.gz GDKLKOLJPPAQSU-WMZHIEFXSA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717920 888794278 /nfs/dbraw/zinc/79/42/78/888794278.db2.gz GDKLKOLJPPAQSU-WMZHIEFXSA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717920 888794287 /nfs/dbraw/zinc/79/42/87/888794287.db2.gz GDKLKOLJPPAQSU-WMZHIEFXSA-N 2 1 389.559 3.616 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000061908146 888840249 /nfs/dbraw/zinc/84/02/49/888840249.db2.gz CWYCBJWFTMLYQR-UHFFFAOYSA-N 2 1 394.563 3.734 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866466884 888894057 /nfs/dbraw/zinc/89/40/57/888894057.db2.gz NZCFPQSTCNZSKW-UAFMIMERSA-N 2 1 397.604 3.549 20 0 GHADMP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000866607755 888966616 /nfs/dbraw/zinc/96/66/16/888966616.db2.gz UYBRNXBXQXEQCB-HBMCJLEFSA-N 2 1 378.944 3.793 20 0 GHADMP Cc1cccc(C)c1OCCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000496774286 889064907 /nfs/dbraw/zinc/06/49/07/889064907.db2.gz WVCSBBXACNUASB-UHFFFAOYSA-N 2 1 395.591 3.822 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245700497 889281155 /nfs/dbraw/zinc/28/11/55/889281155.db2.gz LRZOSEZGFDVPFX-NHTNDUFYSA-N 2 1 397.607 3.540 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123508371 889315757 /nfs/dbraw/zinc/31/57/57/889315757.db2.gz GJJIGYOBXLEKRJ-HNNXBMFYSA-N 2 1 381.948 3.729 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000868183903 889340188 /nfs/dbraw/zinc/34/01/88/889340188.db2.gz VJYHIEMLCAXTAP-ZINXYGQCSA-N 2 1 378.520 3.676 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000868186702 889342758 /nfs/dbraw/zinc/34/27/58/889342758.db2.gz PPJLTBACBOLEPU-UIAACRFSSA-N 2 1 384.549 3.596 20 0 GHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000644554425 913361492 /nfs/dbraw/zinc/36/14/92/913361492.db2.gz PMOVOQDREBYVEO-USYVTKNRSA-N 2 1 382.470 3.723 20 0 GHADMP CC(C)C[C@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)NC(=O)OC(C)(C)C ZINC000811486659 889637794 /nfs/dbraw/zinc/63/77/94/889637794.db2.gz MBHSXURSNVIHOC-LJQANCHMSA-N 2 1 397.604 3.551 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)[C@H]1c1cccs1 ZINC000644573950 913374253 /nfs/dbraw/zinc/37/42/53/913374253.db2.gz BDGLXVOPHDQKCK-YWZLYKJASA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2F)[C@H]1c1cccs1 ZINC000644573950 913374286 /nfs/dbraw/zinc/37/42/86/913374286.db2.gz BDGLXVOPHDQKCK-YWZLYKJASA-N 2 1 375.513 3.889 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 ZINC001168516860 889741952 /nfs/dbraw/zinc/74/19/52/889741952.db2.gz BPZZIBCVEYERET-OWCLPIDISA-N 2 1 393.494 3.638 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000063917612 889798827 /nfs/dbraw/zinc/79/88/27/889798827.db2.gz FNKSYBMJFMSGFG-IBGZPJMESA-N 2 1 375.520 3.756 20 0 GHADMP Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c(F)cc1F ZINC000124884148 889802919 /nfs/dbraw/zinc/80/29/19/889802919.db2.gz PUBYRUVLOUJPHA-NHCUHLMSSA-N 2 1 393.522 3.682 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124989454 889838560 /nfs/dbraw/zinc/83/85/60/889838560.db2.gz OJTIXFSCQIRDFZ-HSZRJFAPSA-N 2 1 393.531 3.512 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124989454 889838575 /nfs/dbraw/zinc/83/85/75/889838575.db2.gz OJTIXFSCQIRDFZ-HSZRJFAPSA-N 2 1 393.531 3.512 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000125288207 889938701 /nfs/dbraw/zinc/93/87/01/889938701.db2.gz SHAMIJMTDAVRJQ-PAQOUXTFSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCOC2=O)cc1 ZINC000122763787 890071685 /nfs/dbraw/zinc/07/16/85/890071685.db2.gz WBHIXWLIHDSKRP-SFHVURJKSA-N 2 1 379.504 3.742 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCOC2=O)cc1 ZINC000122763787 890071697 /nfs/dbraw/zinc/07/16/97/890071697.db2.gz WBHIXWLIHDSKRP-SFHVURJKSA-N 2 1 379.504 3.742 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000465538265 890192171 /nfs/dbraw/zinc/19/21/71/890192171.db2.gz GTNGVKOBERWILB-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000465538265 890192180 /nfs/dbraw/zinc/19/21/80/890192180.db2.gz GTNGVKOBERWILB-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000465538265 890192184 /nfs/dbraw/zinc/19/21/84/890192184.db2.gz GTNGVKOBERWILB-QHAWAJNXSA-N 2 1 386.584 3.555 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455040336 890210748 /nfs/dbraw/zinc/21/07/48/890210748.db2.gz WCBPXTKLTCFBKK-DEOSSOPVSA-N 2 1 398.595 3.560 20 0 GHADMP C[C@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000455236243 890571677 /nfs/dbraw/zinc/57/16/77/890571677.db2.gz YDKKTPQQKRXLSC-HXUWFJFHSA-N 2 1 394.563 3.777 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870912410 890575091 /nfs/dbraw/zinc/57/50/91/890575091.db2.gz HNFKEIVGQZVCSM-ARKSPBFVSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870912410 890575101 /nfs/dbraw/zinc/57/51/01/890575101.db2.gz HNFKEIVGQZVCSM-ARKSPBFVSA-N 2 1 381.923 3.637 20 0 GHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCC2 ZINC000126710770 890659771 /nfs/dbraw/zinc/65/97/71/890659771.db2.gz VEBKRJFYOLNPHA-MBSDFSHPSA-N 2 1 384.564 3.870 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cnc2ccsc2c1 ZINC000126725358 890665810 /nfs/dbraw/zinc/66/58/10/890665810.db2.gz BJHKAWSGHLZBEM-KRWDZBQOSA-N 2 1 380.561 3.895 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](CC)CC)cc1 ZINC000455442977 890969497 /nfs/dbraw/zinc/96/94/97/890969497.db2.gz DDBORHPTXBTKHT-LQCXBHPOSA-N 2 1 386.584 3.556 20 0 GHADMP Brc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCOC2)c1 ZINC000872025266 891122758 /nfs/dbraw/zinc/12/27/58/891122758.db2.gz JMZDZRYCLBKGNU-OWYHZJEWSA-N 2 1 379.342 3.743 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC001137056846 891153904 /nfs/dbraw/zinc/15/39/04/891153904.db2.gz IBLBBPAKVPMYNK-BJKOFHAPSA-N 2 1 393.575 3.878 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1)C1CC1 ZINC000872156063 891183587 /nfs/dbraw/zinc/18/35/87/891183587.db2.gz DHYDKRKAWHNZRU-JXFKEZNVSA-N 2 1 390.597 3.778 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1)C1CC1 ZINC000872156063 891183593 /nfs/dbraw/zinc/18/35/93/891183593.db2.gz DHYDKRKAWHNZRU-JXFKEZNVSA-N 2 1 390.597 3.778 20 0 GHADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1)C1CCCC1 ZINC000872157780 891185503 /nfs/dbraw/zinc/18/55/03/891185503.db2.gz RAMMRQIWVFMODC-PBHICJAKSA-N 2 1 386.462 3.537 20 0 GHADMP CCc1cc(=O)n(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000872743377 891319496 /nfs/dbraw/zinc/31/94/96/891319496.db2.gz AUTRKYGNEHYUNA-UHFFFAOYSA-N 2 1 396.579 3.730 20 0 GHADMP CCc1cc(=O)n(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC000872743377 891319518 /nfs/dbraw/zinc/31/95/18/891319518.db2.gz AUTRKYGNEHYUNA-UHFFFAOYSA-N 2 1 396.579 3.730 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000247889510 891398271 /nfs/dbraw/zinc/39/82/71/891398271.db2.gz DYWAAXHOFUPMCY-HMXCVIKNSA-N 2 1 384.593 3.780 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000247889510 891398286 /nfs/dbraw/zinc/39/82/86/891398286.db2.gz DYWAAXHOFUPMCY-HMXCVIKNSA-N 2 1 384.593 3.780 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000248431400 891435940 /nfs/dbraw/zinc/43/59/40/891435940.db2.gz XMIQXUBFQDYFAN-GCJKJVERSA-N 2 1 383.561 3.830 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000248431400 891435946 /nfs/dbraw/zinc/43/59/46/891435946.db2.gz XMIQXUBFQDYFAN-GCJKJVERSA-N 2 1 383.561 3.830 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000128250281 891503712 /nfs/dbraw/zinc/50/37/12/891503712.db2.gz JREAAMOZSYAYCM-QHCPKHFHSA-N 2 1 387.518 3.866 20 0 GHADMP CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000873231333 891534036 /nfs/dbraw/zinc/53/40/36/891534036.db2.gz GLLRFKOGGMILOR-VQIMIIECSA-N 2 1 378.586 3.636 20 0 GHADMP CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000873231333 891534047 /nfs/dbraw/zinc/53/40/47/891534047.db2.gz GLLRFKOGGMILOR-VQIMIIECSA-N 2 1 378.586 3.636 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000128409888 891864165 /nfs/dbraw/zinc/86/41/65/891864165.db2.gz PKXDDYFHBIJOGU-CVEARBPZSA-N 2 1 388.383 3.766 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000163469449 891890674 /nfs/dbraw/zinc/89/06/74/891890674.db2.gz IIPXXFUAMFCPOQ-UHFFFAOYSA-N 2 1 384.520 3.954 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@H]4COc5ccccc5O4)C3)CC2)cc1 ZINC000645007268 913603919 /nfs/dbraw/zinc/60/39/19/913603919.db2.gz WPXMHDLSMCEJMJ-NRFANRHFSA-N 2 1 378.516 3.815 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2cccc(Br)c21 ZINC000128516603 892053049 /nfs/dbraw/zinc/05/30/49/892053049.db2.gz YNQOSRSXZVOUND-MAUKXSAKSA-N 2 1 380.374 3.615 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261774999 892108274 /nfs/dbraw/zinc/10/82/74/892108274.db2.gz GYYJXXFUQYIQGS-GDBMZVCRSA-N 2 1 391.968 3.635 20 0 GHADMP Cc1cccc(-c2nsc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)c1 ZINC001185097629 913636704 /nfs/dbraw/zinc/63/67/04/913636704.db2.gz AOPDQGXYFGHREB-UHFFFAOYSA-N 2 1 394.548 3.533 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC[N@H+]1Cc1ccccc1 ZINC000875352151 892561813 /nfs/dbraw/zinc/56/18/13/892561813.db2.gz DJHQUAJNNWJNFS-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455614503 892725598 /nfs/dbraw/zinc/72/55/98/892725598.db2.gz DCDPQFHEUAIRJK-UHFFFAOYSA-N 2 1 385.434 3.771 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162566670 892758011 /nfs/dbraw/zinc/75/80/11/892758011.db2.gz LDEIXPZABZVMLJ-SFHVURJKSA-N 3 1 378.520 3.972 20 0 GHADMP C[C@@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508709203 892800962 /nfs/dbraw/zinc/80/09/62/892800962.db2.gz GOQVIHADLBXPGO-OFNKIYASSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@@H](Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508709203 892800986 /nfs/dbraw/zinc/80/09/86/892800986.db2.gz GOQVIHADLBXPGO-OFNKIYASSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000508709215 892802297 /nfs/dbraw/zinc/80/22/97/892802297.db2.gz GQOPFFKNXBISKH-HFMPRLQTSA-N 2 1 377.576 3.933 20 0 GHADMP C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715730 892865995 /nfs/dbraw/zinc/86/59/95/892865995.db2.gz XMECKOVPUAWEAE-AEFFLSMTSA-N 2 1 393.453 3.979 20 0 GHADMP COCCOCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000288330541 913732577 /nfs/dbraw/zinc/73/25/77/913732577.db2.gz ABOVQHNPXHCMMS-UHFFFAOYSA-N 2 1 383.467 3.773 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000129148814 893105491 /nfs/dbraw/zinc/10/54/91/893105491.db2.gz MUCQXJHVVNSYNM-RDTXWAMCSA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)[C@H](C)C1 ZINC000129148814 893105498 /nfs/dbraw/zinc/10/54/98/893105498.db2.gz MUCQXJHVVNSYNM-RDTXWAMCSA-N 2 1 387.337 3.815 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)cn1 ZINC000815116512 893448721 /nfs/dbraw/zinc/44/87/21/893448721.db2.gz QODCRNATHZZVGI-QGZVFWFLSA-N 2 1 397.320 3.985 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@@H](C)C1 ZINC000459411034 893472810 /nfs/dbraw/zinc/47/28/10/893472810.db2.gz IOKLWLUMBRYSBP-MAUKXSAKSA-N 2 1 390.597 3.808 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@@H](C)C1 ZINC000459411034 893472819 /nfs/dbraw/zinc/47/28/19/893472819.db2.gz IOKLWLUMBRYSBP-MAUKXSAKSA-N 2 1 390.597 3.808 20 0 GHADMP CN(Cc1ccc2cc[nH]c2c1)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000877271190 893548379 /nfs/dbraw/zinc/54/83/79/893548379.db2.gz UKSKFFVEEUVAQL-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3csc4ccccc34)CC2)CC1 ZINC000563376724 893680231 /nfs/dbraw/zinc/68/02/31/893680231.db2.gz LRYRZLSSELGGQH-UHFFFAOYSA-N 2 1 385.577 3.714 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(N2CCOCC2)c1 ZINC000556105779 893771010 /nfs/dbraw/zinc/77/10/10/893771010.db2.gz YUGIUSYKZPCXGY-PKTZIBPZSA-N 2 1 379.548 3.757 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(N2CCOCC2)c1 ZINC000556105779 893771016 /nfs/dbraw/zinc/77/10/16/893771016.db2.gz YUGIUSYKZPCXGY-PKTZIBPZSA-N 2 1 379.548 3.757 20 0 GHADMP CC(C)C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118129 893831348 /nfs/dbraw/zinc/83/13/48/893831348.db2.gz LCFPVQVNJHPOLB-QYZOEREBSA-N 2 1 386.565 3.921 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000459737523 894158875 /nfs/dbraw/zinc/15/88/75/894158875.db2.gz RKXJVIJLFRYESS-GOSISDBHSA-N 2 1 381.520 3.769 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)C(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000878445388 894297895 /nfs/dbraw/zinc/29/78/95/894297895.db2.gz GIIUOWAMPFLFCT-SCTDSRPQSA-N 2 1 395.975 3.702 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(CC(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511848 894350135 /nfs/dbraw/zinc/35/01/35/894350135.db2.gz HQHSWJKJNQJRBM-DNQXCXABSA-N 3 1 392.676 3.625 20 0 GHADMP C[NH+](C)[C@@H]1CCC[NH+](CC(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511848 894350150 /nfs/dbraw/zinc/35/01/50/894350150.db2.gz HQHSWJKJNQJRBM-DNQXCXABSA-N 4 1 392.676 3.625 20 0 GHADMP C[NH+](C)[C@@H]1CCC[NH+](CC(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C2CCCC2)CC1 ZINC000878511848 894350164 /nfs/dbraw/zinc/35/01/64/894350164.db2.gz HQHSWJKJNQJRBM-DNQXCXABSA-N 4 1 392.676 3.625 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1Cl ZINC001135461635 894631078 /nfs/dbraw/zinc/63/10/78/894631078.db2.gz MDGSECAQBBOPHY-PMACEKPBSA-N 2 1 377.960 3.856 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1Cl ZINC001135461635 894631086 /nfs/dbraw/zinc/63/10/86/894631086.db2.gz MDGSECAQBBOPHY-PMACEKPBSA-N 2 1 377.960 3.856 20 0 GHADMP Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000564131299 894634554 /nfs/dbraw/zinc/63/45/54/894634554.db2.gz BMPICYWDUMPSNV-FCHUYYIVSA-N 2 1 377.532 3.778 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564131299 894634562 /nfs/dbraw/zinc/63/45/62/894634562.db2.gz BMPICYWDUMPSNV-FCHUYYIVSA-N 2 1 377.532 3.778 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564131299 894634569 /nfs/dbraw/zinc/63/45/69/894634569.db2.gz BMPICYWDUMPSNV-FCHUYYIVSA-N 2 1 377.532 3.778 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000564207236 894721621 /nfs/dbraw/zinc/72/16/21/894721621.db2.gz GSZDJLQNOAQUFL-HOJAQTOUSA-N 2 1 385.577 3.973 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000537324792 894776680 /nfs/dbraw/zinc/77/66/80/894776680.db2.gz GLFMMSOUONDPGN-TZIWHRDSSA-N 2 1 393.579 3.859 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC000879576053 895143808 /nfs/dbraw/zinc/14/38/08/895143808.db2.gz SMXCNYVZLMUFLR-RXVVDRJESA-N 2 1 379.504 3.834 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC000879576053 895143810 /nfs/dbraw/zinc/14/38/10/895143810.db2.gz SMXCNYVZLMUFLR-RXVVDRJESA-N 2 1 379.504 3.834 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC000879576053 895143812 /nfs/dbraw/zinc/14/38/12/895143812.db2.gz SMXCNYVZLMUFLR-RXVVDRJESA-N 2 1 379.504 3.834 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@@H]21 ZINC000879576053 895143815 /nfs/dbraw/zinc/14/38/15/895143815.db2.gz SMXCNYVZLMUFLR-RXVVDRJESA-N 2 1 379.504 3.834 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC001135714394 895150008 /nfs/dbraw/zinc/15/00/08/895150008.db2.gz IAKOXKJZXYEUNY-RTWAWAEBSA-N 2 1 387.955 3.924 20 0 GHADMP Cc1cccc2c(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)[nH]nc21 ZINC001137146237 895259233 /nfs/dbraw/zinc/25/92/33/895259233.db2.gz DLVXFOGNZIZWFJ-UHFFFAOYSA-N 2 1 375.520 3.754 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1cc(C)cc(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000564990167 895340310 /nfs/dbraw/zinc/34/03/10/895340310.db2.gz MNXIMJGXEDOJOZ-JOCHJYFZSA-N 2 1 396.579 3.933 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1cc(C)cc(C)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000564990167 895340323 /nfs/dbraw/zinc/34/03/23/895340323.db2.gz MNXIMJGXEDOJOZ-JOCHJYFZSA-N 2 1 396.579 3.933 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000565171733 895437029 /nfs/dbraw/zinc/43/70/29/895437029.db2.gz LYYISDAPQQXRBB-KRWDZBQOSA-N 2 1 375.532 3.541 20 0 GHADMP Cc1csc([C@H]2CC[NH+](CCC[N@H+]3CC[C@H](c4nc(C)cs4)C3)C2)n1 ZINC000880009888 895448793 /nfs/dbraw/zinc/44/87/93/895448793.db2.gz RAYORIZYDWXOAM-IRXDYDNUSA-N 2 1 376.595 3.885 20 0 GHADMP Cc1csc([C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](c4nc(C)cs4)C3)C2)n1 ZINC000880009888 895448801 /nfs/dbraw/zinc/44/88/01/895448801.db2.gz RAYORIZYDWXOAM-IRXDYDNUSA-N 2 1 376.595 3.885 20 0 GHADMP COCCOc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000565277511 895498075 /nfs/dbraw/zinc/49/80/75/895498075.db2.gz WSJRGPFIARQNCC-PKTZIBPZSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000565277511 895498082 /nfs/dbraw/zinc/49/80/82/895498082.db2.gz WSJRGPFIARQNCC-PKTZIBPZSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000565277511 895498086 /nfs/dbraw/zinc/49/80/86/895498086.db2.gz WSJRGPFIARQNCC-PKTZIBPZSA-N 2 1 380.532 3.666 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1nc(CN2CCCC2)cs1)Cc1ccc(C)cc1 ZINC000565281501 895501969 /nfs/dbraw/zinc/50/19/69/895501969.db2.gz XMLDAKULMZZYDN-UHFFFAOYSA-N 2 1 386.565 3.898 20 0 GHADMP CCCN(CC(=O)Nc1nc(CN2CCCC2)cs1)Cc1ccc(C)cc1 ZINC000565281501 895501975 /nfs/dbraw/zinc/50/19/75/895501975.db2.gz XMLDAKULMZZYDN-UHFFFAOYSA-N 2 1 386.565 3.898 20 0 GHADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000880135514 895534097 /nfs/dbraw/zinc/53/40/97/895534097.db2.gz WQLXNLAUCWPGLQ-LEWJYISDSA-N 2 1 379.504 3.976 20 0 GHADMP CN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC000565422274 895613585 /nfs/dbraw/zinc/61/35/85/895613585.db2.gz YSEGBBNPBNPMLF-PKTZIBPZSA-N 2 1 391.559 3.556 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1cc(C)cs1)CC2 ZINC001137154326 895717021 /nfs/dbraw/zinc/71/70/21/895717021.db2.gz DECBNICLZFUWDP-FQEVSTJZSA-N 2 1 392.609 3.786 20 0 GHADMP CC[N@H+](C)[C@H](c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1)c1ccccc1 ZINC000565858427 895935842 /nfs/dbraw/zinc/93/58/42/895935842.db2.gz NZUYHXMWUAMFAD-FQEVSTJZSA-N 2 1 380.492 3.718 20 0 GHADMP CC[N@@H+](C)[C@H](c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1)c1ccccc1 ZINC000565858427 895935854 /nfs/dbraw/zinc/93/58/54/895935854.db2.gz NZUYHXMWUAMFAD-FQEVSTJZSA-N 2 1 380.492 3.718 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000566229947 896192325 /nfs/dbraw/zinc/19/23/25/896192325.db2.gz VQALEFIAVWHTHN-FPOVZHCZSA-N 2 1 387.531 3.756 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000828012448 896296620 /nfs/dbraw/zinc/29/66/20/896296620.db2.gz PUOFUGVHHZAKLH-SFHVURJKSA-N 2 1 376.416 3.698 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@]1(C)CC1(Cl)Cl ZINC000828012448 896296634 /nfs/dbraw/zinc/29/66/34/896296634.db2.gz PUOFUGVHHZAKLH-SFHVURJKSA-N 3 1 376.416 3.698 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@]1(C)CC1(Cl)Cl ZINC000828012448 896296649 /nfs/dbraw/zinc/29/66/49/896296649.db2.gz PUOFUGVHHZAKLH-SFHVURJKSA-N 3 1 376.416 3.698 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)CC1 ZINC000566443479 896315302 /nfs/dbraw/zinc/31/53/02/896315302.db2.gz TVSSXFBOSRVOGC-UHFFFAOYSA-N 2 1 396.535 3.840 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)nc1)CC2 ZINC001137165611 896320506 /nfs/dbraw/zinc/32/05/06/896320506.db2.gz QLTXYDBWGRCGNN-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819016411 896350814 /nfs/dbraw/zinc/35/08/14/896350814.db2.gz YVYZKKIKGTYYGR-NQIIRXRSSA-N 2 1 392.465 3.893 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566578883 896390329 /nfs/dbraw/zinc/39/03/29/896390329.db2.gz GFESDFWFUKIPEB-NNMXDRDESA-N 2 1 375.520 3.829 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000881626918 896399844 /nfs/dbraw/zinc/39/98/44/896399844.db2.gz SEMYZAROGIFJRY-QFIPXVFZSA-N 2 1 398.595 3.551 20 0 GHADMP COC1CC[NH+](C2(C[NH2+]CCC(=O)Nc3cccc(Cl)c3)CCCC2)CC1 ZINC000566673360 896480482 /nfs/dbraw/zinc/48/04/82/896480482.db2.gz KAJXVVIZBNHBSN-UHFFFAOYSA-N 2 1 393.959 3.682 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819283558 896527186 /nfs/dbraw/zinc/52/71/86/896527186.db2.gz KZCMLVSTYYMOLZ-VWNXMTODSA-N 2 1 382.548 3.545 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819275155 896561478 /nfs/dbraw/zinc/56/14/78/896561478.db2.gz RJRWRRPYYKWFGM-PXNSSMCTSA-N 2 1 378.438 3.851 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000567176553 896940479 /nfs/dbraw/zinc/94/04/79/896940479.db2.gz IHMBRZLMAUSPJT-MRXNPFEDSA-N 2 1 393.522 3.681 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000567264472 897019281 /nfs/dbraw/zinc/01/92/81/897019281.db2.gz QZJQEAVHPKBDPN-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c3c(nn2C)CCSC3)C[N@H+]1Cc1ccccc1 ZINC000883074876 897255313 /nfs/dbraw/zinc/25/53/13/897255313.db2.gz LRUNRSCEGBZXDA-PKOBYXMFSA-N 2 1 384.593 3.600 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000567763218 897385236 /nfs/dbraw/zinc/38/52/36/897385236.db2.gz ROICMUFULXQEKJ-HSZRJFAPSA-N 2 1 379.548 3.634 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3cccs3)C3CC3)CC2)CC1 ZINC000568184211 897659646 /nfs/dbraw/zinc/65/96/46/897659646.db2.gz OMGLTHNTLCRARL-FQEVSTJZSA-N 2 1 375.582 3.512 20 0 GHADMP Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)CC2 ZINC001170960921 897808500 /nfs/dbraw/zinc/80/85/00/897808500.db2.gz IZQOMBUJWUTSTF-FKBYEOEOSA-N 2 1 385.571 3.611 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccccc3C[NH+](C)C)C2)s1 ZINC000568403425 897809418 /nfs/dbraw/zinc/80/94/18/897809418.db2.gz YRAYZZJPEOJIDP-GOSISDBHSA-N 2 1 385.577 3.712 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3cc4[nH]ccc4cc3C)CC2)CC1 ZINC000568737498 898074745 /nfs/dbraw/zinc/07/47/45/898074745.db2.gz YEHXTIFBOCFMEJ-UHFFFAOYSA-N 2 1 383.540 3.500 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3cc4[nH]ccc4cc3C)CC2)CC1 ZINC000568737498 898074755 /nfs/dbraw/zinc/07/47/55/898074755.db2.gz YEHXTIFBOCFMEJ-UHFFFAOYSA-N 2 1 383.540 3.500 20 0 GHADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000569039424 898292225 /nfs/dbraw/zinc/29/22/25/898292225.db2.gz XIJHWUNTKLUAOC-OAHLLOKOSA-N 2 1 380.458 3.756 20 0 GHADMP C[C@H]1CC2(C[NH+]1CCCCC[N@@H+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646098261 914251979 /nfs/dbraw/zinc/25/19/79/914251979.db2.gz SKTCXRZSZGQMBK-SFTDATJTSA-N 2 1 378.601 3.939 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000569449833 898674613 /nfs/dbraw/zinc/67/46/13/898674613.db2.gz OUOPFTLEFVHVCS-WVUPVLJSSA-N 2 1 380.532 3.520 20 0 GHADMP CCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ncsc2C1 ZINC000646130017 914275630 /nfs/dbraw/zinc/27/56/30/914275630.db2.gz JJTXRXHGSAKQER-LJQANCHMSA-N 2 1 378.630 3.519 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000569915872 899023858 /nfs/dbraw/zinc/02/38/58/899023858.db2.gz NNSJNQFUCPSXMY-BJKOFHAPSA-N 2 1 396.575 3.935 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000569915876 899023936 /nfs/dbraw/zinc/02/39/36/899023936.db2.gz NNSJNQFUCPSXMY-ZEQRLZLVSA-N 2 1 396.575 3.935 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000823737188 899211670 /nfs/dbraw/zinc/21/16/70/899211670.db2.gz UBXLCFJEWJUJBI-RTBURBONSA-N 2 1 385.552 3.553 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000570332000 899267354 /nfs/dbraw/zinc/26/73/54/899267354.db2.gz XGVIPDLRVPFSCX-LJQANCHMSA-N 2 1 381.486 3.800 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000570332000 899267360 /nfs/dbraw/zinc/26/73/60/899267360.db2.gz XGVIPDLRVPFSCX-LJQANCHMSA-N 2 1 381.486 3.800 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000570365440 899284004 /nfs/dbraw/zinc/28/40/04/899284004.db2.gz KKGPUFRAMMWWBE-OAHLLOKOSA-N 2 1 397.357 3.630 20 0 GHADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCc1ccccc1C(F)(F)F ZINC001171039172 899328422 /nfs/dbraw/zinc/32/84/22/899328422.db2.gz ORFQTOIXBZORFH-UHFFFAOYSA-N 2 1 393.457 3.634 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000646249288 914353922 /nfs/dbraw/zinc/35/39/22/914353922.db2.gz ZPNQDVXPNUDTAZ-SMIHKQSGSA-N 2 1 391.559 3.980 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000884259841 899575878 /nfs/dbraw/zinc/57/58/78/899575878.db2.gz AGAZGISVJNSBOV-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000570787054 899590456 /nfs/dbraw/zinc/59/04/56/899590456.db2.gz BVRITDGTZGQOSY-KJXAQDMKSA-N 2 1 379.548 3.947 20 0 GHADMP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000570787054 899590467 /nfs/dbraw/zinc/59/04/67/899590467.db2.gz BVRITDGTZGQOSY-KJXAQDMKSA-N 2 1 379.548 3.947 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576585 899696153 /nfs/dbraw/zinc/69/61/53/899696153.db2.gz BRDLNEXQXWBALQ-YJLNNSPDSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(-c2nn[nH]n2)c1 ZINC000824576585 899696160 /nfs/dbraw/zinc/69/61/60/899696160.db2.gz BRDLNEXQXWBALQ-YJLNNSPDSA-N 2 1 382.537 3.662 20 0 GHADMP CSC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+](C)CC1 ZINC000571695224 899947625 /nfs/dbraw/zinc/94/76/25/899947625.db2.gz SKAHKFUDIODXJB-BHDDXSALSA-N 3 1 387.637 3.704 20 0 GHADMP FC(F)(F)c1c[nH]c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001137022181 900101685 /nfs/dbraw/zinc/10/16/85/900101685.db2.gz VBSGWJVFBYSPCB-IAGOWNOFSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001137022181 900101691 /nfs/dbraw/zinc/10/16/91/900101691.db2.gz VBSGWJVFBYSPCB-IAGOWNOFSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001137022181 900101697 /nfs/dbraw/zinc/10/16/97/900101697.db2.gz VBSGWJVFBYSPCB-IAGOWNOFSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1c[nH]c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001137022181 900101702 /nfs/dbraw/zinc/10/17/02/900101702.db2.gz VBSGWJVFBYSPCB-IAGOWNOFSA-N 2 1 378.442 3.773 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024038 900112217 /nfs/dbraw/zinc/11/22/17/900112217.db2.gz OECQHPSGMRPOKL-OAQYLSRUSA-N 2 1 382.504 3.565 20 0 GHADMP C[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572948614 900322341 /nfs/dbraw/zinc/32/23/41/900322341.db2.gz JRTYEXYULDKHMO-XLIONFOSSA-N 2 1 384.495 3.735 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001143808215 900537303 /nfs/dbraw/zinc/53/73/03/900537303.db2.gz VPLXYYVYHFYZIL-DLBZAZTESA-N 2 1 375.866 3.569 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(Cl)cn2)c1)C1CCOCC1 ZINC000885967414 900657931 /nfs/dbraw/zinc/65/79/31/900657931.db2.gz OEWKZIMGHXVBQZ-UHFFFAOYSA-N 2 1 389.927 3.514 20 0 GHADMP C[N@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001186354997 914473591 /nfs/dbraw/zinc/47/35/91/914473591.db2.gz STJGRCQSKAZSMT-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001186354997 914473598 /nfs/dbraw/zinc/47/35/98/914473598.db2.gz STJGRCQSKAZSMT-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001186354997 914473600 /nfs/dbraw/zinc/47/36/00/914473600.db2.gz STJGRCQSKAZSMT-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP COc1ccccc1[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1nccn1C ZINC000886498631 901080740 /nfs/dbraw/zinc/08/07/40/901080740.db2.gz JKRFOMKGIZBRPL-STDCAVTESA-N 2 1 382.552 3.905 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886509011 901099612 /nfs/dbraw/zinc/09/96/12/901099612.db2.gz XLYWETFVTDLEHD-ZRBLBEILSA-N 2 1 387.531 3.718 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc2c(c1)CC(=O)N2C ZINC000886523160 901118372 /nfs/dbraw/zinc/11/83/72/901118372.db2.gz XXWXIWGTQIMTGC-FUAMJQMHSA-N 2 1 389.543 3.909 20 0 GHADMP c1cc2ccc(CN3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)nc2[nH]1 ZINC001144176516 901195223 /nfs/dbraw/zinc/19/52/23/901195223.db2.gz FXENQAIEEIECNN-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)nc2[nH]1 ZINC001144176516 901195235 /nfs/dbraw/zinc/19/52/35/901195235.db2.gz FXENQAIEEIECNN-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)nc2[nH]1 ZINC001144176516 901195244 /nfs/dbraw/zinc/19/52/44/901195244.db2.gz FXENQAIEEIECNN-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)nc2[nH]1 ZINC001144176516 901195255 /nfs/dbraw/zinc/19/52/55/901195255.db2.gz FXENQAIEEIECNN-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2ccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)nc2[nH]1 ZINC001144176516 901195263 /nfs/dbraw/zinc/19/52/63/901195263.db2.gz FXENQAIEEIECNN-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177035 901197601 /nfs/dbraw/zinc/19/76/01/901197601.db2.gz ILDHUQZBBAMXGK-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177035 901197611 /nfs/dbraw/zinc/19/76/11/901197611.db2.gz ILDHUQZBBAMXGK-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177035 901197621 /nfs/dbraw/zinc/19/76/21/901197621.db2.gz ILDHUQZBBAMXGK-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4cc[nH]c4n3)C[C@H]21 ZINC001144177035 901197628 /nfs/dbraw/zinc/19/76/28/901197628.db2.gz ILDHUQZBBAMXGK-VLCRHTCISA-N 2 1 375.520 3.690 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886638216 901202534 /nfs/dbraw/zinc/20/25/34/901202534.db2.gz OCBVAYOQYGVNEN-SMQFJCFBSA-N 2 1 378.564 3.774 20 0 GHADMP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)O2 ZINC000886769038 901262007 /nfs/dbraw/zinc/26/20/07/901262007.db2.gz NXONZCDQWNZYOX-DTCVMKOCSA-N 2 1 384.564 3.602 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000575866945 901404857 /nfs/dbraw/zinc/40/48/57/901404857.db2.gz UHLLJZRLBVRFPY-OXJNMPFZSA-N 2 1 380.536 3.829 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000290147268 914547532 /nfs/dbraw/zinc/54/75/32/914547532.db2.gz CKMGGASAYJQOBX-FQEVSTJZSA-N 2 1 381.520 3.948 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000576086765 901667144 /nfs/dbraw/zinc/66/71/44/901667144.db2.gz CSRAUKLUFWWYTN-WWNPGLIZSA-N 2 1 382.548 3.543 20 0 GHADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000576219360 901828949 /nfs/dbraw/zinc/82/89/49/901828949.db2.gz YWALNQABPPMKDE-DGCLKSJQSA-N 2 1 377.838 3.808 20 0 GHADMP FC(F)(F)c1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001144529851 902334343 /nfs/dbraw/zinc/33/43/43/902334343.db2.gz DGWNUDTUWYPFLE-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000779006684 902747249 /nfs/dbraw/zinc/74/72/49/902747249.db2.gz VBTJHJLWALGYFH-YADHBBJMSA-N 2 1 399.579 3.996 20 0 GHADMP Clc1ccc(I)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000846220024 902794721 /nfs/dbraw/zinc/79/47/21/902794721.db2.gz JLQXBFZSJVMBMY-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000846311149 902875684 /nfs/dbraw/zinc/87/56/84/902875684.db2.gz RZZWUUBOMFLIGS-GBESFXJTSA-N 2 1 396.535 3.539 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccc1OC(F)F ZINC000290447573 914686706 /nfs/dbraw/zinc/68/67/06/914686706.db2.gz VXIFRNZEIKKLBL-HNNXBMFYSA-N 2 1 379.451 3.864 20 0 GHADMP CC(C)[N@@H+](C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCC(=O)N1 ZINC001171250459 903175599 /nfs/dbraw/zinc/17/55/99/903175599.db2.gz YLFZZJJWIMLEDJ-BJKOFHAPSA-N 2 1 393.575 3.891 20 0 GHADMP CC(C)[NH+](C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCC(=O)N1 ZINC001171250459 903175601 /nfs/dbraw/zinc/17/56/01/903175601.db2.gz YLFZZJJWIMLEDJ-BJKOFHAPSA-N 2 1 393.575 3.891 20 0 GHADMP CC(C)[NH+](C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1)C[C@H]1CCC(=O)N1 ZINC001171250459 903175607 /nfs/dbraw/zinc/17/56/07/903175607.db2.gz YLFZZJJWIMLEDJ-BJKOFHAPSA-N 2 1 393.575 3.891 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000846911613 903327108 /nfs/dbraw/zinc/32/71/08/903327108.db2.gz SVAGPNRLHFDHIN-MHJFOBGBSA-N 2 1 377.960 3.856 20 0 GHADMP CCC(CC)(CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000601145345 903389395 /nfs/dbraw/zinc/38/93/95/903389395.db2.gz OFOUZZZUPJIHHN-UXHICEINSA-N 2 1 388.600 3.926 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000601237068 903494261 /nfs/dbraw/zinc/49/42/61/903494261.db2.gz ZNTRJYGPZDINFC-DENIHFKCSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000779047995 903534949 /nfs/dbraw/zinc/53/49/49/903534949.db2.gz HJCFQSZMALIIGR-SFTDATJTSA-N 2 1 387.568 3.540 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147595 903702488 /nfs/dbraw/zinc/70/24/88/903702488.db2.gz RSMCLOWTJLNKNU-SFTDATJTSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147595 903702500 /nfs/dbraw/zinc/70/25/00/903702500.db2.gz RSMCLOWTJLNKNU-SFTDATJTSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147595 903702509 /nfs/dbraw/zinc/70/25/09/903702509.db2.gz RSMCLOWTJLNKNU-SFTDATJTSA-N 2 1 383.580 3.525 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000779064786 903725584 /nfs/dbraw/zinc/72/55/84/903725584.db2.gz NIVQGKYOMFTSOM-CNNODRBYSA-N 2 1 387.568 3.744 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578322235 903733497 /nfs/dbraw/zinc/73/34/97/903733497.db2.gz ODXHZNVEYOLYOQ-QFIPXVFZSA-N 2 1 398.572 3.518 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578322235 903733507 /nfs/dbraw/zinc/73/35/07/903733507.db2.gz ODXHZNVEYOLYOQ-QFIPXVFZSA-N 2 1 398.572 3.518 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000779073167 903903344 /nfs/dbraw/zinc/90/33/44/903903344.db2.gz LJFOFKYGSUYEBO-AYWYSENESA-N 2 1 387.568 3.852 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000779073167 903903361 /nfs/dbraw/zinc/90/33/61/903903361.db2.gz LJFOFKYGSUYEBO-AYWYSENESA-N 2 1 387.568 3.852 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000779075414 903921355 /nfs/dbraw/zinc/92/13/55/903921355.db2.gz WATFXRBAFRRVTF-ZOBUZTSGSA-N 2 1 376.545 3.548 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000779075414 903921368 /nfs/dbraw/zinc/92/13/68/903921368.db2.gz WATFXRBAFRRVTF-ZOBUZTSGSA-N 2 1 376.545 3.548 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000578572528 903973962 /nfs/dbraw/zinc/97/39/62/903973962.db2.gz ONBZHUQRKGNSSZ-QGZVFWFLSA-N 2 1 376.932 3.512 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000646681349 914770675 /nfs/dbraw/zinc/77/06/75/914770675.db2.gz UXTCHFULHFRWKD-KRWDZBQOSA-N 2 1 382.552 3.540 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000646681349 914770687 /nfs/dbraw/zinc/77/06/87/914770687.db2.gz UXTCHFULHFRWKD-KRWDZBQOSA-N 2 1 382.552 3.540 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000646681349 914770698 /nfs/dbraw/zinc/77/06/98/914770698.db2.gz UXTCHFULHFRWKD-KRWDZBQOSA-N 2 1 382.552 3.540 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000646681349 914770708 /nfs/dbraw/zinc/77/07/08/914770708.db2.gz UXTCHFULHFRWKD-KRWDZBQOSA-N 2 1 382.552 3.540 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)C2 ZINC000290682638 914784450 /nfs/dbraw/zinc/78/44/50/914784450.db2.gz DVFHTLKADXEMAU-QMMLZNLJSA-N 2 1 382.552 3.636 20 0 GHADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000578920026 904225201 /nfs/dbraw/zinc/22/52/01/904225201.db2.gz RVEFEQROXZJXHU-RXVVDRJESA-N 2 1 398.547 3.755 20 0 GHADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000579341863 904530177 /nfs/dbraw/zinc/53/01/77/904530177.db2.gz ABHLWENCJKFAOO-GBESFXJTSA-N 2 1 384.973 3.534 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716638534 904695420 /nfs/dbraw/zinc/69/54/20/904695420.db2.gz PJOYUXRPKFTVOX-KGWSWXIGSA-N 2 1 399.579 3.932 20 0 GHADMP FC(F)(F)CN1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716721294 904698478 /nfs/dbraw/zinc/69/84/78/904698478.db2.gz ZWUJMXWADYSULA-MUGJNUQGSA-N 2 1 381.486 3.513 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171481859 904723895 /nfs/dbraw/zinc/72/38/95/904723895.db2.gz JFQALHCIOYMGKB-MSOLQXFVSA-N 2 1 378.507 3.834 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1(C)C ZINC001171629523 904851243 /nfs/dbraw/zinc/85/12/43/904851243.db2.gz VGUJNELTVJORHL-MRXNPFEDSA-N 2 1 377.960 3.682 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+]C[C@@]2(F)CCCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171614040 904876104 /nfs/dbraw/zinc/87/61/04/904876104.db2.gz UGMOGGDNZXCXGW-NRFANRHFSA-N 2 1 385.568 3.967 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]([N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001171696950 904935859 /nfs/dbraw/zinc/93/58/59/904935859.db2.gz QMWBAINYBMLZCF-GUDVDZBRSA-N 2 1 393.572 3.675 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN([C@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC001171751465 904979608 /nfs/dbraw/zinc/97/96/08/904979608.db2.gz NWJLIYYYXAGCRM-FPOVZHCZSA-N 2 1 395.595 3.547 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN([C@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC001171751465 904979623 /nfs/dbraw/zinc/97/96/23/904979623.db2.gz NWJLIYYYXAGCRM-FPOVZHCZSA-N 2 1 395.595 3.547 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3[C@@H](CC[NH+]3Cc3nccs3)C2)C[N@H+]1Cc1ccccc1 ZINC001171756164 904990868 /nfs/dbraw/zinc/99/08/68/904990868.db2.gz PEQXIZXLDFIUPO-GBAJDQEWSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3nccs3)C2)C[NH+]1Cc1ccccc1 ZINC001171756164 904990882 /nfs/dbraw/zinc/99/08/82/904990882.db2.gz PEQXIZXLDFIUPO-GBAJDQEWSA-N 2 1 396.604 3.702 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@H]3[C@@H](CC[N@H+]3Cc3nccs3)C2)C[NH+]1Cc1ccccc1 ZINC001171756164 904990890 /nfs/dbraw/zinc/99/08/90/904990890.db2.gz PEQXIZXLDFIUPO-GBAJDQEWSA-N 2 1 396.604 3.702 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989589 905199129 /nfs/dbraw/zinc/19/91/29/905199129.db2.gz DWYZRNSIVOVHPX-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989589 905199135 /nfs/dbraw/zinc/19/91/35/905199135.db2.gz DWYZRNSIVOVHPX-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989589 905199143 /nfs/dbraw/zinc/19/91/43/905199143.db2.gz DWYZRNSIVOVHPX-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cnc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171989589 905199148 /nfs/dbraw/zinc/19/91/48/905199148.db2.gz DWYZRNSIVOVHPX-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP CC(=O)N1CCC2(C1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171981101 905232628 /nfs/dbraw/zinc/23/26/28/905232628.db2.gz KILUPYGVXAUFIF-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C)C(=O)[C@H]1CC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171983216 905238535 /nfs/dbraw/zinc/23/85/35/905238535.db2.gz YJGQMYUKSOBBMT-LEWJYISDSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171987420 905246961 /nfs/dbraw/zinc/24/69/61/905246961.db2.gz VCWLDNVQNPVLES-ACRUOGEOSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171987420 905246976 /nfs/dbraw/zinc/24/69/76/905246976.db2.gz VCWLDNVQNPVLES-ACRUOGEOSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171987420 905246993 /nfs/dbraw/zinc/24/69/93/905246993.db2.gz VCWLDNVQNPVLES-ACRUOGEOSA-N 2 1 399.579 3.981 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987177 905247166 /nfs/dbraw/zinc/24/71/66/905247166.db2.gz QOKDSVUHHGBBOM-LEWJYISDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987177 905247172 /nfs/dbraw/zinc/24/71/72/905247172.db2.gz QOKDSVUHHGBBOM-LEWJYISDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987177 905247186 /nfs/dbraw/zinc/24/71/86/905247186.db2.gz QOKDSVUHHGBBOM-LEWJYISDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987195 905249160 /nfs/dbraw/zinc/24/91/60/905249160.db2.gz QYEOXUMRPCUFOV-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987195 905249176 /nfs/dbraw/zinc/24/91/76/905249176.db2.gz QYEOXUMRPCUFOV-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)nc1 ZINC001171987195 905249183 /nfs/dbraw/zinc/24/91/83/905249183.db2.gz QYEOXUMRPCUFOV-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP O=c1ccc2c([nH]1)CC[C@@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172060431 905261603 /nfs/dbraw/zinc/26/16/03/905261603.db2.gz AGYMUGDVIOEAEJ-YUMYIRISSA-N 2 1 377.532 3.820 20 0 GHADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061129 905266603 /nfs/dbraw/zinc/26/66/03/905266603.db2.gz FRJFVCPDKXQIRQ-GPJHCHHRSA-N 2 1 380.532 3.602 20 0 GHADMP CC(=O)N1CC[C@H]([N@@H+](C(C)C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172083838 905295978 /nfs/dbraw/zinc/29/59/78/905295978.db2.gz SLHUFRKGRNQNDD-KIHHCIJBSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@H]([N@H+](C(C)C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172083838 905295998 /nfs/dbraw/zinc/29/59/98/905295998.db2.gz SLHUFRKGRNQNDD-KIHHCIJBSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@H]([NH+](C(C)C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172083838 905296014 /nfs/dbraw/zinc/29/60/14/905296014.db2.gz SLHUFRKGRNQNDD-KIHHCIJBSA-N 2 1 383.580 3.903 20 0 GHADMP CC(=O)N1CC[C@H]([NH+](C(C)C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172083838 905296034 /nfs/dbraw/zinc/29/60/34/905296034.db2.gz SLHUFRKGRNQNDD-KIHHCIJBSA-N 2 1 383.580 3.903 20 0 GHADMP Cc1ccnc(O[C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001172090695 905307182 /nfs/dbraw/zinc/30/71/82/905307182.db2.gz WCTJZRJCHNMSQD-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001172090695 905307200 /nfs/dbraw/zinc/30/72/00/905307200.db2.gz WCTJZRJCHNMSQD-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001172090695 905307222 /nfs/dbraw/zinc/30/72/22/905307222.db2.gz WCTJZRJCHNMSQD-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP CC(C)NC(=O)N1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067732 905335388 /nfs/dbraw/zinc/33/53/88/905335388.db2.gz RZRCZOOLRYMHQH-NUNAXRQHSA-N 2 1 398.595 3.744 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132841 905344285 /nfs/dbraw/zinc/34/42/85/905344285.db2.gz ORGMJDYSZFNPMN-LRSLUSHPSA-N 2 1 399.579 3.953 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132841 905344301 /nfs/dbraw/zinc/34/43/01/905344301.db2.gz ORGMJDYSZFNPMN-LRSLUSHPSA-N 2 1 399.579 3.953 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132841 905344318 /nfs/dbraw/zinc/34/43/18/905344318.db2.gz ORGMJDYSZFNPMN-LRSLUSHPSA-N 2 1 399.579 3.953 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1Cc3ccccc3C[C@H]1CNC(=O)OC(C)(C)C)C2 ZINC001172132841 905344336 /nfs/dbraw/zinc/34/43/36/905344336.db2.gz ORGMJDYSZFNPMN-LRSLUSHPSA-N 2 1 399.579 3.953 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1ccc(C(F)(F)F)cn1)C1CC[NH2+]CC1)C2 ZINC001172129956 905344645 /nfs/dbraw/zinc/34/46/45/905344645.db2.gz FQRSOJKFHNWMFD-PIIMJCKOSA-N 2 1 382.474 3.674 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C2 ZINC001172112761 905359060 /nfs/dbraw/zinc/35/90/60/905359060.db2.gz ZYMXDSIVNDHTAJ-XSDIEEQYSA-N 2 1 387.568 3.727 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccccc3N(C(=O)OC(C)(C)C)C1)C2 ZINC001172115754 905362815 /nfs/dbraw/zinc/36/28/15/905362815.db2.gz FKSQRHISSPEKRF-WTGUMLROSA-N 2 1 385.552 3.958 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1Cc3ccccc3N(C(=O)OC(C)(C)C)C1)C2 ZINC001172115754 905362829 /nfs/dbraw/zinc/36/28/29/905362829.db2.gz FKSQRHISSPEKRF-WTGUMLROSA-N 2 1 385.552 3.958 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3Br)C1)C2 ZINC001172116076 905369576 /nfs/dbraw/zinc/36/95/76/905369576.db2.gz XOJJRHPTNRXLSU-OKYOBFRVSA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3ccccc3Br)C1)C2 ZINC001172116076 905369592 /nfs/dbraw/zinc/36/95/92/905369592.db2.gz XOJJRHPTNRXLSU-OKYOBFRVSA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119502 905380049 /nfs/dbraw/zinc/38/00/49/905380049.db2.gz VXPBTXVSDSDUCN-VQQMMKBISA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119502 905380069 /nfs/dbraw/zinc/38/00/69/905380069.db2.gz VXPBTXVSDSDUCN-VQQMMKBISA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119502 905380086 /nfs/dbraw/zinc/38/00/86/905380086.db2.gz VXPBTXVSDSDUCN-VQQMMKBISA-N 2 1 387.593 3.692 20 0 GHADMP O=C1CC[C@@H]2C[C@@H]([N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)CCN12 ZINC001172182126 905398537 /nfs/dbraw/zinc/39/85/37/905398537.db2.gz JULHACHGCWODKW-FCHUYYIVSA-N 2 1 381.564 3.518 20 0 GHADMP COCCC[NH+]1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)CC1 ZINC001172248676 905446432 /nfs/dbraw/zinc/44/64/32/905446432.db2.gz MBALDWWTGIRKRV-UHFFFAOYSA-N 2 1 380.960 3.522 20 0 GHADMP COCCCN1CCC([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001172253501 905448729 /nfs/dbraw/zinc/44/87/29/905448729.db2.gz RVWSBFVKTWJSQK-UHFFFAOYSA-N 2 1 399.623 3.866 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001172328655 905493530 /nfs/dbraw/zinc/49/35/30/905493530.db2.gz FXGVBMDMJKMGNY-GNTSBZSRSA-N 2 1 396.616 3.560 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)CCOCC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172472559 905552785 /nfs/dbraw/zinc/55/27/85/905552785.db2.gz PAKXAUHQPMGNAZ-NYVOZVTQSA-N 2 1 390.568 3.996 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175426024 905562934 /nfs/dbraw/zinc/56/29/34/905562934.db2.gz ONNTTXBPOZDDQF-RXVVDRJESA-N 2 1 386.584 3.602 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)CCOC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172446029 905564901 /nfs/dbraw/zinc/56/49/01/905564901.db2.gz VFRHTMJVCWVBNG-YYWHXJBOSA-N 2 1 376.541 3.749 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172535475 905639479 /nfs/dbraw/zinc/63/94/79/905639479.db2.gz KATPWIUEFAZOQD-AWRGLXIESA-N 2 1 395.591 3.876 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001172626106 905731150 /nfs/dbraw/zinc/73/11/50/905731150.db2.gz ZDQVCFGGGCTNPR-FXAWDEMLSA-N 2 1 378.944 3.968 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001172626106 905731157 /nfs/dbraw/zinc/73/11/57/905731157.db2.gz ZDQVCFGGGCTNPR-FXAWDEMLSA-N 2 1 378.944 3.968 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172712442 905794595 /nfs/dbraw/zinc/79/45/95/905794595.db2.gz LSQGYIZIFCJLAE-IBGZPJMESA-N 2 1 395.975 3.634 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001173002624 906078059 /nfs/dbraw/zinc/07/80/59/906078059.db2.gz QBZPZJQFNWZLRZ-UHFFFAOYSA-N 2 1 399.554 3.771 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173006456 906080453 /nfs/dbraw/zinc/08/04/53/906080453.db2.gz SKKLYMRLGFNMRL-VXKWHMMOSA-N 2 1 387.543 3.769 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173006456 906080464 /nfs/dbraw/zinc/08/04/64/906080464.db2.gz SKKLYMRLGFNMRL-VXKWHMMOSA-N 2 1 387.543 3.769 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173006456 906080475 /nfs/dbraw/zinc/08/04/75/906080475.db2.gz SKKLYMRLGFNMRL-VXKWHMMOSA-N 2 1 387.543 3.769 20 0 GHADMP CCCOC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001173093052 906151882 /nfs/dbraw/zinc/15/18/82/906151882.db2.gz LCLVUPZMESSAGA-CBNMVNINSA-N 2 1 376.541 3.555 20 0 GHADMP CC[NH+](CC)C1CCC(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001173109526 906195212 /nfs/dbraw/zinc/19/52/12/906195212.db2.gz CHFQXJVCTSOUTQ-HDYDNRTBSA-N 3 1 375.605 3.753 20 0 GHADMP CCOC[C@@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2cn(CC3CC3)nc21 ZINC001173109708 906197179 /nfs/dbraw/zinc/19/71/79/906197179.db2.gz LNMBDUNHGLWRIU-HWELCPFYSA-N 2 1 388.600 3.882 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)CC1 ZINC001173112757 906200553 /nfs/dbraw/zinc/20/05/53/906200553.db2.gz DHWQRGSFVYVNGA-CTWPCTMYSA-N 2 1 387.543 3.899 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)CC1 ZINC001173113288 906201339 /nfs/dbraw/zinc/20/13/39/906201339.db2.gz JJQINNNTURKDEL-UYSNPLJNSA-N 2 1 386.462 3.602 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173155346 906240433 /nfs/dbraw/zinc/24/04/33/906240433.db2.gz BDCJXPJXMUOSRI-GUDVDZBRSA-N 2 1 384.495 3.910 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001173213498 906330612 /nfs/dbraw/zinc/33/06/12/906330612.db2.gz FSVXSTDJNYCFSK-NRFANRHFSA-N 2 1 393.575 3.693 20 0 GHADMP CC[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001173290857 906368929 /nfs/dbraw/zinc/36/89/29/906368929.db2.gz YCXAPKGBYKKFEO-OFNKIYASSA-N 2 1 383.580 3.622 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001173407387 906433062 /nfs/dbraw/zinc/43/30/62/906433062.db2.gz ABHVGRVYRLZURP-OAQYLSRUSA-N 2 1 399.579 3.640 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173447550 906487977 /nfs/dbraw/zinc/48/79/77/906487977.db2.gz YLMPKKWGONKBLB-IHPCNDPISA-N 2 1 376.541 3.889 20 0 GHADMP [NH3+]Cc1cc2cccc(F)c2n1C1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC001173465324 906504167 /nfs/dbraw/zinc/50/41/67/906504167.db2.gz FGLSPNFNQTULSM-UHFFFAOYSA-N 2 1 395.478 3.619 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613860 906540410 /nfs/dbraw/zinc/54/04/10/906540410.db2.gz ZJRDMHIRUQDJLJ-BGJFYCINSA-N 2 1 388.577 3.624 20 0 GHADMP c1nnn([C@@H]2CCC[C@H]([N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)C2)n1 ZINC001173769000 906688509 /nfs/dbraw/zinc/68/85/09/906688509.db2.gz NSUFULDUJQGABR-FCHUYYIVSA-N 2 1 394.567 3.535 20 0 GHADMP C[N@H+](C1CC1)C1CC[NH+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001173785824 906709923 /nfs/dbraw/zinc/70/99/23/906709923.db2.gz ZUINUPBUMYMTIC-UHFFFAOYSA-N 2 1 393.934 3.642 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001173785824 906709931 /nfs/dbraw/zinc/70/99/31/906709931.db2.gz ZUINUPBUMYMTIC-UHFFFAOYSA-N 2 1 393.934 3.642 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629518208 906847725 /nfs/dbraw/zinc/84/77/25/906847725.db2.gz GHCXVZWPUKCZFT-LQGLAIQGSA-N 2 1 399.538 3.932 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1C(F)(F)F ZINC000629559682 906867735 /nfs/dbraw/zinc/86/77/35/906867735.db2.gz BNFFXYURZHRNGJ-VQIMIIECSA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1C(F)(F)F ZINC000629559682 906867741 /nfs/dbraw/zinc/86/77/41/906867741.db2.gz BNFFXYURZHRNGJ-VQIMIIECSA-N 2 1 379.426 3.620 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000180994991 906892624 /nfs/dbraw/zinc/89/26/24/906892624.db2.gz WJSHOAZATUJQRD-INIZCTEOSA-N 2 1 382.476 3.592 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000180994991 906892633 /nfs/dbraw/zinc/89/26/33/906892633.db2.gz WJSHOAZATUJQRD-INIZCTEOSA-N 2 1 382.476 3.592 20 0 GHADMP [NH3+]C1(C[NH2+]Cc2ccc(Oc3cccc(Br)c3)cc2)CCOCC1 ZINC000629654094 906931856 /nfs/dbraw/zinc/93/18/56/906931856.db2.gz MKGHXSIFDWOHFN-UHFFFAOYSA-N 2 1 391.309 3.839 20 0 GHADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000181411463 906995081 /nfs/dbraw/zinc/99/50/81/906995081.db2.gz IZQRVUFMQTWDIT-XLIONFOSSA-N 2 1 387.593 3.856 20 0 GHADMP COC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccc(F)c(F)c1 ZINC000182956860 907301492 /nfs/dbraw/zinc/30/14/92/907301492.db2.gz INFZHAFNOLJBGK-FQEVSTJZSA-N 2 1 393.478 3.759 20 0 GHADMP C[NH+]1CCN(c2ccc(F)cc2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001175506251 907593305 /nfs/dbraw/zinc/59/33/05/907593305.db2.gz QORYBRAEGJPTOJ-UHFFFAOYSA-N 2 1 380.511 3.779 20 0 GHADMP COc1cc(N2CC[NH+](C)CC2)ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506179 907593725 /nfs/dbraw/zinc/59/37/25/907593725.db2.gz XPRCUPJXIDQOBT-UHFFFAOYSA-N 2 1 392.547 3.649 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192637867 907803871 /nfs/dbraw/zinc/80/38/71/907803871.db2.gz ADWDFJNGNSCBBL-SVMVAKDDSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707824 907819758 /nfs/dbraw/zinc/81/97/58/907819758.db2.gz GPLGRWNAPDLBJR-GJZGRUSLSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707824 907819777 /nfs/dbraw/zinc/81/97/77/907819777.db2.gz GPLGRWNAPDLBJR-GJZGRUSLSA-N 2 1 383.458 3.887 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722479 907821995 /nfs/dbraw/zinc/82/19/95/907821995.db2.gz DIJWATVUHUZABC-GJZGRUSLSA-N 2 1 379.932 3.530 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722479 907822009 /nfs/dbraw/zinc/82/20/09/907822009.db2.gz DIJWATVUHUZABC-GJZGRUSLSA-N 2 1 379.932 3.530 20 0 GHADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccc(C[NH+](C)C)cc1 ZINC001176294797 908016496 /nfs/dbraw/zinc/01/64/96/908016496.db2.gz FFKMJVFKAFAOKB-UHFFFAOYSA-N 2 1 380.492 3.657 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000187174495 908051415 /nfs/dbraw/zinc/05/14/15/908051415.db2.gz TWQNLNKZXSDZAG-GOSISDBHSA-N 2 1 383.561 3.659 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000187174495 908051429 /nfs/dbraw/zinc/05/14/29/908051429.db2.gz TWQNLNKZXSDZAG-GOSISDBHSA-N 2 1 383.561 3.659 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CC1 ZINC000633158700 908226969 /nfs/dbraw/zinc/22/69/69/908226969.db2.gz WIXRGRKJLWZAFQ-UHFFFAOYSA-N 2 1 399.583 3.540 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccccc3C(F)(F)F)c2)CC1 ZINC001177637739 908684423 /nfs/dbraw/zinc/68/44/23/908684423.db2.gz OWHLPXDINVWCNB-UHFFFAOYSA-N 2 1 377.454 3.743 20 0 GHADMP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)n1 ZINC000634555833 908764690 /nfs/dbraw/zinc/76/46/90/908764690.db2.gz WIEURYHMZZEXDO-PWRODBHTSA-N 2 1 391.519 3.894 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CC[NH+](C2CCCCC2)CC1 ZINC001178729109 909223528 /nfs/dbraw/zinc/22/35/28/909223528.db2.gz SQKQTWAKQURZTK-HYBUGGRVSA-N 2 1 397.607 3.915 20 0 GHADMP C[C@H](C1CC1)[N@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000636013870 909410632 /nfs/dbraw/zinc/41/06/32/909410632.db2.gz DONRAOAREBBFNC-HXUWFJFHSA-N 2 1 391.559 3.651 20 0 GHADMP C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000636013870 909410637 /nfs/dbraw/zinc/41/06/37/909410637.db2.gz DONRAOAREBBFNC-HXUWFJFHSA-N 2 1 391.559 3.651 20 0 GHADMP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)CC(F)(F)F ZINC001179257705 909443713 /nfs/dbraw/zinc/44/37/13/909443713.db2.gz GGCMTLUDCQARTO-CVEARBPZSA-N 2 1 393.494 3.544 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268118568 909773571 /nfs/dbraw/zinc/77/35/71/909773571.db2.gz NJKDOTRBFDHNMJ-XLIONFOSSA-N 2 1 385.577 3.935 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2sc(C)cc2Br)C1 ZINC001180080896 909934717 /nfs/dbraw/zinc/93/47/17/909934717.db2.gz IDBMNRYKHWOECA-AWEZNQCLSA-N 2 1 375.376 3.752 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001180082002 909936975 /nfs/dbraw/zinc/93/69/75/909936975.db2.gz PRZKBGGOJPLIOU-CQSZACIVSA-N 2 1 379.854 3.687 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001180082002 909936984 /nfs/dbraw/zinc/93/69/84/909936984.db2.gz PRZKBGGOJPLIOU-CQSZACIVSA-N 2 1 379.854 3.687 20 0 GHADMP CC(=O)N(C)C1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637977417 910017688 /nfs/dbraw/zinc/01/76/88/910017688.db2.gz PHKFEKNHBNDIHN-DEOSSOPVSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268832553 910037758 /nfs/dbraw/zinc/03/77/58/910037758.db2.gz RGRHIQUKYSHYIT-GBXCKJPGSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000268832553 910037773 /nfs/dbraw/zinc/03/77/73/910037773.db2.gz RGRHIQUKYSHYIT-GBXCKJPGSA-N 2 1 391.559 3.952 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)ncn1 ZINC000269006649 910099879 /nfs/dbraw/zinc/09/98/79/910099879.db2.gz WFVXBVZNKHYLPK-AUSIDOKSSA-N 2 1 393.579 3.508 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)ncn1 ZINC000269006649 910099895 /nfs/dbraw/zinc/09/98/95/910099895.db2.gz WFVXBVZNKHYLPK-AUSIDOKSSA-N 2 1 393.579 3.508 20 0 GHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001274454796 910101754 /nfs/dbraw/zinc/10/17/54/910101754.db2.gz KMJOJKXDIJTPDI-NXEWRWPSSA-N 2 1 375.944 3.608 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)ccc1OCc1ccccc1 ZINC000638279759 910102140 /nfs/dbraw/zinc/10/21/40/910102140.db2.gz RMNTVPLZEWWRIB-UHFFFAOYSA-N 2 1 398.547 3.599 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccn(C(F)F)c3=O)cc2)C1 ZINC000638363570 910133370 /nfs/dbraw/zinc/13/33/70/910133370.db2.gz OYVDCCVFYLTGIP-INIZCTEOSA-N 2 1 375.463 3.765 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638474462 910161372 /nfs/dbraw/zinc/16/13/72/910161372.db2.gz LZLIVVQSDZZHMZ-AZUAARDMSA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638474462 910161378 /nfs/dbraw/zinc/16/13/78/910161378.db2.gz LZLIVVQSDZZHMZ-AZUAARDMSA-N 2 1 381.486 3.971 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000638560821 910192087 /nfs/dbraw/zinc/19/20/87/910192087.db2.gz UTDICMJSWUXDNH-MSOLQXFVSA-N 2 1 385.474 3.518 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000269250055 910195377 /nfs/dbraw/zinc/19/53/77/910195377.db2.gz OOPAEBCDLWQXFV-VQTJNVASSA-N 2 1 396.579 3.717 20 0 GHADMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639081299 910308080 /nfs/dbraw/zinc/30/80/80/910308080.db2.gz XHUVUKVWPOPDRO-YPIGPJMWSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000639081299 910308096 /nfs/dbraw/zinc/30/80/96/910308096.db2.gz XHUVUKVWPOPDRO-YPIGPJMWSA-N 2 1 380.536 3.598 20 0 GHADMP C[N@@H+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)Cc1ccccc1 ZINC001181142004 910569978 /nfs/dbraw/zinc/56/99/78/910569978.db2.gz LBJASBRRQCGUGJ-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP C[NH+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC001181142004 910569989 /nfs/dbraw/zinc/56/99/89/910569989.db2.gz LBJASBRRQCGUGJ-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP C[NH+](CCC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC001181142004 910569998 /nfs/dbraw/zinc/56/99/98/910569998.db2.gz LBJASBRRQCGUGJ-JOZNFPNDSA-N 2 1 391.559 3.820 20 0 GHADMP C[NH+](CCCCCCCCCC[N@H+](C)Cc1cnccn1)Cc1cnccn1 ZINC000270684825 910659549 /nfs/dbraw/zinc/65/95/49/910659549.db2.gz ANUBABIVYCHZLV-UHFFFAOYSA-N 2 1 384.572 3.951 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000271502204 910931941 /nfs/dbraw/zinc/93/19/41/910931941.db2.gz MEVCIYBFKCOFNH-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000801923287 921632196 /nfs/dbraw/zinc/63/21/96/921632196.db2.gz CZGWXAOODBUZGF-UXHICEINSA-N 2 1 379.589 3.831 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926669 921635205 /nfs/dbraw/zinc/63/52/05/921635205.db2.gz YOYHGTALFVNAMS-AZUAARDMSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926669 921635232 /nfs/dbraw/zinc/63/52/32/921635232.db2.gz YOYHGTALFVNAMS-AZUAARDMSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926669 921635253 /nfs/dbraw/zinc/63/52/53/921635253.db2.gz YOYHGTALFVNAMS-AZUAARDMSA-N 2 1 379.589 3.687 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H]3C[NH+]4CCC3CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001182012565 911152639 /nfs/dbraw/zinc/15/26/39/911152639.db2.gz ZBMIWGTUOCUMJA-RTWAWAEBSA-N 2 1 375.516 3.544 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)cc1 ZINC001182389773 911601900 /nfs/dbraw/zinc/60/19/00/911601900.db2.gz DASFAQMLWIDBBP-AZUAARDMSA-N 2 1 378.520 3.921 20 0 GHADMP O=C(Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182558470 911850534 /nfs/dbraw/zinc/85/05/34/911850534.db2.gz XIYHRYMXNOHIEW-GOTSBHOMSA-N 2 1 381.564 3.843 20 0 GHADMP C[C@H]1[C@@H](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C[NH+]1C(c1ccccc1)c1ccccc1 ZINC001186949404 914913879 /nfs/dbraw/zinc/91/38/79/914913879.db2.gz SSLHJWYRFZVDDT-VJBMBRPKSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@H]1[C@@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949404 914913883 /nfs/dbraw/zinc/91/38/83/914913883.db2.gz SSLHJWYRFZVDDT-VJBMBRPKSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@H]1[C@@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949404 914913892 /nfs/dbraw/zinc/91/38/92/914913892.db2.gz SSLHJWYRFZVDDT-VJBMBRPKSA-N 2 1 391.559 3.697 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2C)cc1 ZINC000647479334 915289317 /nfs/dbraw/zinc/28/93/17/915289317.db2.gz CPGSOOYTLBZEGC-OFNKIYASSA-N 2 1 382.552 3.521 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2C)cc1 ZINC000647479334 915289335 /nfs/dbraw/zinc/28/93/35/915289335.db2.gz CPGSOOYTLBZEGC-OFNKIYASSA-N 2 1 382.552 3.521 20 0 GHADMP c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000647479768 915291380 /nfs/dbraw/zinc/29/13/80/915291380.db2.gz TXIMZTVWNNVLSE-REWPJTCUSA-N 2 1 387.531 3.898 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000647479768 915291386 /nfs/dbraw/zinc/29/13/86/915291386.db2.gz TXIMZTVWNNVLSE-REWPJTCUSA-N 2 1 387.531 3.898 20 0 GHADMP Cn1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000647543134 915319404 /nfs/dbraw/zinc/31/94/04/915319404.db2.gz HXCPJAVIQYWMDX-GJZGRUSLSA-N 2 1 380.458 3.804 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647975466 915457238 /nfs/dbraw/zinc/45/72/38/915457238.db2.gz ASONZECAYRUAOI-CVEARBPZSA-N 2 1 394.441 3.967 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000647977169 915460375 /nfs/dbraw/zinc/46/03/75/915460375.db2.gz YVCJAUPVYFXTGY-RCCFBDPRSA-N 2 1 377.960 3.995 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)oc1C ZINC000292148819 915535947 /nfs/dbraw/zinc/53/59/47/915535947.db2.gz MTFAZTWXPRJKFZ-QGZVFWFLSA-N 2 1 398.551 3.556 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C[C@H]3CCOC3)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000292206071 915559716 /nfs/dbraw/zinc/55/97/16/915559716.db2.gz PUPDFKPPSFJQGN-GCJKJVERSA-N 2 1 398.526 3.959 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776968 915860120 /nfs/dbraw/zinc/86/01/20/915860120.db2.gz RFFMIGAAPHSTGN-FPOVZHCZSA-N 2 1 386.923 3.910 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000649381531 916130967 /nfs/dbraw/zinc/13/09/67/916130967.db2.gz NFUHJZKVCWGTDY-SFHVURJKSA-N 2 1 393.531 3.838 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001189742230 916865043 /nfs/dbraw/zinc/86/50/43/916865043.db2.gz QBYXBXWSHZXRMB-UHFFFAOYSA-N 2 1 385.552 3.746 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417760 916971577 /nfs/dbraw/zinc/97/15/77/916971577.db2.gz ZFLPLFOVVPROAH-GOSISDBHSA-N 2 1 390.597 3.728 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000650705733 917244150 /nfs/dbraw/zinc/24/41/50/917244150.db2.gz UEODRSYHTLQRCU-KVSKMBFKSA-N 2 1 375.513 3.668 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000295614961 917381682 /nfs/dbraw/zinc/38/16/82/917381682.db2.gz GOSJGMUENMFVNK-UGSOOPFHSA-N 2 1 397.332 3.666 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](c4ccccc4)C3)CC2)cc1 ZINC001190570569 917414783 /nfs/dbraw/zinc/41/47/83/917414783.db2.gz FRHIHTGLWFVQES-DEOSSOPVSA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)CC2)cc1 ZINC001190570569 917414789 /nfs/dbraw/zinc/41/47/89/917414789.db2.gz FRHIHTGLWFVQES-DEOSSOPVSA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](c4ccccc4)C3)CC2)cc1 ZINC001190570569 917414795 /nfs/dbraw/zinc/41/47/95/917414795.db2.gz FRHIHTGLWFVQES-DEOSSOPVSA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccc(C[C@@H]2CCC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001190682368 917510898 /nfs/dbraw/zinc/51/08/98/917510898.db2.gz HCRSRKSEUOQMQS-UPVQGACJSA-N 2 1 393.575 3.669 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796468296 917585518 /nfs/dbraw/zinc/58/55/18/917585518.db2.gz SJEPWPDPTNBYAL-OAQYLSRUSA-N 2 1 384.524 3.610 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796468296 917585529 /nfs/dbraw/zinc/58/55/29/917585529.db2.gz SJEPWPDPTNBYAL-OAQYLSRUSA-N 2 1 384.524 3.610 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000652050290 917783367 /nfs/dbraw/zinc/78/33/67/917783367.db2.gz AFAJLIOHIHKZKM-TZIWHRDSSA-N 2 1 377.532 3.550 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000652050290 917783376 /nfs/dbraw/zinc/78/33/76/917783376.db2.gz AFAJLIOHIHKZKM-TZIWHRDSSA-N 2 1 377.532 3.550 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccccc3F)n2)C1 ZINC000652362468 917882985 /nfs/dbraw/zinc/88/29/85/917882985.db2.gz HYYKZGYPZQKZSB-ZMYBRWDISA-N 2 1 375.513 3.810 20 0 GHADMP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000652521750 917920134 /nfs/dbraw/zinc/92/01/34/917920134.db2.gz XZJBYUDYMKMOJV-MDNUFGMLSA-N 2 1 392.547 3.798 20 0 GHADMP C[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1(C)CC1 ZINC001191464494 918031044 /nfs/dbraw/zinc/03/10/44/918031044.db2.gz LVOKNMKJVQQBIH-APWZRJJASA-N 2 1 377.960 3.714 20 0 GHADMP Cc1nccn1CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000796549029 918172049 /nfs/dbraw/zinc/17/20/49/918172049.db2.gz RTSROQZDKGSISJ-HXUWFJFHSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000796549029 918172059 /nfs/dbraw/zinc/17/20/59/918172059.db2.gz RTSROQZDKGSISJ-HXUWFJFHSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000796549029 918172067 /nfs/dbraw/zinc/17/20/67/918172067.db2.gz RTSROQZDKGSISJ-HXUWFJFHSA-N 2 1 376.545 3.695 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000654235931 918911955 /nfs/dbraw/zinc/91/19/55/918911955.db2.gz MZXWEHLTMDBSKS-IBGZPJMESA-N 2 1 399.579 3.687 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000297686947 919608315 /nfs/dbraw/zinc/60/83/15/919608315.db2.gz XLBONZAGWAMASD-CVDCTZTESA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)n1ncc2c1C[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)CC2 ZINC000364772129 919988345 /nfs/dbraw/zinc/98/83/45/919988345.db2.gz RGSMGKUSDQSXOJ-QFIPXVFZSA-N 2 1 384.543 3.757 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(Br)c1O ZINC000298673999 920793098 /nfs/dbraw/zinc/79/30/98/920793098.db2.gz AIRCADWSXSPJIB-UHFFFAOYSA-N 2 1 383.330 3.517 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(-c2ccccc2)n1C ZINC000902501126 922241615 /nfs/dbraw/zinc/24/16/15/922241615.db2.gz IPLHTDAJBZFZLY-IQOKHDRSSA-N 2 1 388.515 3.994 20 0 GHADMP c1ccc([C@@H](CCc2cccnc2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000902802135 922505803 /nfs/dbraw/zinc/50/58/03/922505803.db2.gz INWXXYAHWFGIBP-DNQXCXABSA-N 2 1 379.548 3.989 20 0 GHADMP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903124009 922792122 /nfs/dbraw/zinc/79/21/22/922792122.db2.gz FYFRCEAGTNNKHU-VXRQHQKFSA-N 2 1 399.579 3.790 20 0 GHADMP CC(=O)OCc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000903147517 922808224 /nfs/dbraw/zinc/80/82/24/922808224.db2.gz JZASHIFMAGKIEQ-UUOWRZLLSA-N 2 1 396.531 3.557 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]cn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090824 923104514 /nfs/dbraw/zinc/10/45/14/923104514.db2.gz GQSQPAMBPVQAJC-DNVCBOLYSA-N 2 1 394.441 3.560 20 0 GHADMP C[N@@H+]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090824 923104520 /nfs/dbraw/zinc/10/45/20/923104520.db2.gz GQSQPAMBPVQAJC-DNVCBOLYSA-N 2 1 394.441 3.560 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCc2cnc[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000369090824 923104529 /nfs/dbraw/zinc/10/45/29/923104529.db2.gz GQSQPAMBPVQAJC-DNVCBOLYSA-N 2 1 394.441 3.560 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000369849762 923677689 /nfs/dbraw/zinc/67/76/89/923677689.db2.gz DACDPRCYUSZPQE-IBGZPJMESA-N 2 1 386.584 3.874 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000369853131 923681256 /nfs/dbraw/zinc/68/12/56/923681256.db2.gz PVODEUHLTOYBBW-LJQANCHMSA-N 2 1 386.584 3.826 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cc(F)cc4F)cc2)CC1 ZINC000677129130 924251595 /nfs/dbraw/zinc/25/15/95/924251595.db2.gz GFVPTGKTRNLVRJ-HSZRJFAPSA-N 2 1 385.502 3.879 20 0 GHADMP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000370704504 924266770 /nfs/dbraw/zinc/26/67/70/924266770.db2.gz ZPFCCQSKQCPGLQ-FUHIMQAGSA-N 2 1 394.401 3.510 20 0 GHADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cccc(Br)c1 ZINC000370704504 924266780 /nfs/dbraw/zinc/26/67/80/924266780.db2.gz ZPFCCQSKQCPGLQ-FUHIMQAGSA-N 2 1 394.401 3.510 20 0 GHADMP Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC000678122666 924617923 /nfs/dbraw/zinc/61/79/23/924617923.db2.gz DIDITRSWSANSRB-UHFFFAOYSA-N 2 1 395.547 3.849 20 0 GHADMP Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)c1C ZINC000678122666 924617932 /nfs/dbraw/zinc/61/79/32/924617932.db2.gz DIDITRSWSANSRB-UHFFFAOYSA-N 2 1 395.547 3.849 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000678144964 924632506 /nfs/dbraw/zinc/63/25/06/924632506.db2.gz URYJAMVZRYYHFC-UHFFFAOYSA-N 2 1 394.519 3.686 20 0 GHADMP CC(C)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000678144964 924632509 /nfs/dbraw/zinc/63/25/09/924632509.db2.gz URYJAMVZRYYHFC-UHFFFAOYSA-N 2 1 394.519 3.686 20 0 GHADMP c1coc(C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]2CCCO2)c1 ZINC000678211239 924665779 /nfs/dbraw/zinc/66/57/79/924665779.db2.gz POYFYIKHPSWHMB-QHCPKHFHSA-N 2 1 384.520 3.935 20 0 GHADMP c1coc(C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]2CCCO2)c1 ZINC000678211239 924665781 /nfs/dbraw/zinc/66/57/81/924665781.db2.gz POYFYIKHPSWHMB-QHCPKHFHSA-N 2 1 384.520 3.935 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000678297642 924713526 /nfs/dbraw/zinc/71/35/26/924713526.db2.gz NLZHZISITQNUEW-HUUCEWRRSA-N 2 1 384.364 3.800 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000678339211 924732512 /nfs/dbraw/zinc/73/25/12/924732512.db2.gz JPBDHXYHTXLFGO-GMAHTHKFSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000678339211 924732518 /nfs/dbraw/zinc/73/25/18/924732518.db2.gz JPBDHXYHTXLFGO-GMAHTHKFSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000678339211 924732539 /nfs/dbraw/zinc/73/25/39/924732539.db2.gz JPBDHXYHTXLFGO-GMAHTHKFSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000678339211 924732542 /nfs/dbraw/zinc/73/25/42/924732542.db2.gz JPBDHXYHTXLFGO-GMAHTHKFSA-N 2 1 387.531 3.754 20 0 GHADMP c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678342892 924734817 /nfs/dbraw/zinc/73/48/17/924734817.db2.gz FPHGUBYWCDXTAZ-SFTDATJTSA-N 2 1 398.510 3.996 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000371644643 924741622 /nfs/dbraw/zinc/74/16/22/924741622.db2.gz CFZNNQJTWCUWDP-DXIQSLLYSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000371644643 924741631 /nfs/dbraw/zinc/74/16/31/924741631.db2.gz CFZNNQJTWCUWDP-DXIQSLLYSA-N 2 1 384.568 3.504 20 0 GHADMP CCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000371644643 924741638 /nfs/dbraw/zinc/74/16/38/924741638.db2.gz CFZNNQJTWCUWDP-DXIQSLLYSA-N 2 1 384.568 3.504 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000409639458 924840946 /nfs/dbraw/zinc/84/09/46/924840946.db2.gz PCPIUJNXRVNCOF-NRFANRHFSA-N 2 1 385.939 3.855 20 0 GHADMP C[C@H]1C[C@@H](Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CC[N@H+]1C ZINC000679091979 925025984 /nfs/dbraw/zinc/02/59/84/925025984.db2.gz OGMFYBMCHGIUGV-URXFXBBRSA-N 2 1 392.591 3.946 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000679836040 925280081 /nfs/dbraw/zinc/28/00/81/925280081.db2.gz VJXZFXXLKGVCCY-NTKDMRAZSA-N 2 1 383.580 3.588 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@H]21 ZINC001137401835 925399552 /nfs/dbraw/zinc/39/95/52/925399552.db2.gz ISOHFDSGKMHHRN-ZPMCFJSWSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@H]21 ZINC001137401835 925399561 /nfs/dbraw/zinc/39/95/61/925399561.db2.gz ISOHFDSGKMHHRN-ZPMCFJSWSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4ncccc34)C[C@H]21 ZINC001137401835 925399570 /nfs/dbraw/zinc/39/95/70/925399570.db2.gz ISOHFDSGKMHHRN-ZPMCFJSWSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4ncccc34)C[C@H]21 ZINC001137401835 925399583 /nfs/dbraw/zinc/39/95/83/925399583.db2.gz ISOHFDSGKMHHRN-ZPMCFJSWSA-N 2 1 375.520 3.690 20 0 GHADMP C[C@@H](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000680314375 925438259 /nfs/dbraw/zinc/43/82/59/925438259.db2.gz RINAXHQKLFUJNV-SFTDATJTSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410336097 925540443 /nfs/dbraw/zinc/54/04/43/925540443.db2.gz CKBZPXVELDBFFW-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410369797 925581502 /nfs/dbraw/zinc/58/15/02/925581502.db2.gz BSKWWPYTDVQLGY-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000410367904 925589265 /nfs/dbraw/zinc/58/92/65/925589265.db2.gz OVVCTDFOXUDGCD-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000410367904 925589271 /nfs/dbraw/zinc/58/92/71/925589271.db2.gz OVVCTDFOXUDGCD-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410367904 925589274 /nfs/dbraw/zinc/58/92/74/925589274.db2.gz OVVCTDFOXUDGCD-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000410367907 925589455 /nfs/dbraw/zinc/58/94/55/925589455.db2.gz OVVCTDFOXUDGCD-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000410367907 925589462 /nfs/dbraw/zinc/58/94/62/925589462.db2.gz OVVCTDFOXUDGCD-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000410367907 925589465 /nfs/dbraw/zinc/58/94/65/925589465.db2.gz OVVCTDFOXUDGCD-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(N2CCCC2)n1 ZINC000681397125 925811467 /nfs/dbraw/zinc/81/14/67/925811467.db2.gz HGKCKRZAJHJGKX-OFNKIYASSA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(N2CCCC2)n1 ZINC000681397125 925811473 /nfs/dbraw/zinc/81/14/73/925811473.db2.gz HGKCKRZAJHJGKX-OFNKIYASSA-N 2 1 378.564 3.990 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373473413 926167698 /nfs/dbraw/zinc/16/76/98/926167698.db2.gz HYGHJRKRTLIVOE-UVKLAMSESA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC[NH2+]1 ZINC000373563916 926251359 /nfs/dbraw/zinc/25/13/59/926251359.db2.gz QIQHEUNBVFUNJE-XPYUAMARSA-N 2 1 397.485 3.593 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000411331341 926315949 /nfs/dbraw/zinc/31/59/49/926315949.db2.gz MMRVOQFECVXBSE-DNQXCXABSA-N 2 1 391.559 3.503 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000411380183 926347943 /nfs/dbraw/zinc/34/79/43/926347943.db2.gz CMBMYWZZYUZJON-NZQKXSOJSA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000411380183 926347954 /nfs/dbraw/zinc/34/79/54/926347954.db2.gz CMBMYWZZYUZJON-NZQKXSOJSA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000411380183 926347961 /nfs/dbraw/zinc/34/79/61/926347961.db2.gz CMBMYWZZYUZJON-NZQKXSOJSA-N 2 1 393.575 3.944 20 0 GHADMP O=C1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]2N1C1CC1 ZINC000411397708 926367357 /nfs/dbraw/zinc/36/73/57/926367357.db2.gz MOBCNEFKSMXVCQ-GGAORHGYSA-N 2 1 381.564 3.648 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398181511 926487189 /nfs/dbraw/zinc/48/71/89/926487189.db2.gz KCEOFWRZZFDJGI-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398181511 926487195 /nfs/dbraw/zinc/48/71/95/926487195.db2.gz KCEOFWRZZFDJGI-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000398166678 926487339 /nfs/dbraw/zinc/48/73/39/926487339.db2.gz HCCZLKSJMRFEPQ-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000398166678 926487342 /nfs/dbraw/zinc/48/73/42/926487342.db2.gz HCCZLKSJMRFEPQ-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP CC(CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000411797541 926774681 /nfs/dbraw/zinc/77/46/81/926774681.db2.gz LBFFPAPYBAKHNV-PQZIIDKGSA-N 2 1 392.628 3.654 20 0 GHADMP Cc1cc(N2CC[NH+]([C@H](c3ccccc3)c3ccccc3Cl)CC2)nc(N)[nH+]1 ZINC000726786583 926852397 /nfs/dbraw/zinc/85/23/97/926852397.db2.gz DJXLVGNDZKCXCA-OAQYLSRUSA-N 2 1 393.922 3.932 20 0 GHADMP Cc1cccc(N2CCC(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)CC2)[nH+]1 ZINC000412123088 927120675 /nfs/dbraw/zinc/12/06/75/927120675.db2.gz FAEDWZFAZJKUPI-UHFFFAOYSA-N 2 1 392.547 3.775 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000751009037 927978618 /nfs/dbraw/zinc/97/86/18/927978618.db2.gz AXCQLTKOAMKAMP-OAHLLOKOSA-N 2 1 386.968 3.524 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc2ccccc2c1 ZINC000751012803 927979473 /nfs/dbraw/zinc/97/94/73/927979473.db2.gz ZYPIYTBXZLCCJA-OAQYLSRUSA-N 2 1 384.593 3.885 20 0 GHADMP CCc1cccc(CC)c1NC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000751010536 927979858 /nfs/dbraw/zinc/97/98/58/927979858.db2.gz IIMASCZPWKZWSW-HXUWFJFHSA-N 2 1 390.641 3.856 20 0 GHADMP C[NH+](C)CCc1ccc(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000467089222 928684658 /nfs/dbraw/zinc/68/46/58/928684658.db2.gz FJFDEZLMTLGJBB-UHFFFAOYSA-N 2 1 396.579 3.501 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(c2ccc(F)cc2F)CCOCC1 ZINC000544179329 928896923 /nfs/dbraw/zinc/89/69/23/928896923.db2.gz CAGACXLJLBNVKM-UHFFFAOYSA-N 2 1 384.430 3.649 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000544198637 928922650 /nfs/dbraw/zinc/92/26/50/928922650.db2.gz RQAPHTGRSGWICZ-GGPKGHCWSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000544198637 928922671 /nfs/dbraw/zinc/92/26/71/928922671.db2.gz RQAPHTGRSGWICZ-GGPKGHCWSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000544330554 929059242 /nfs/dbraw/zinc/05/92/42/929059242.db2.gz KOCPLNZIOOAYPA-RTWAWAEBSA-N 2 1 386.584 3.557 20 0 GHADMP CCc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000544383880 929115278 /nfs/dbraw/zinc/11/52/78/929115278.db2.gz NETGIQVYILLTIE-XMMPIXPASA-N 2 1 397.563 3.675 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000753585449 929429635 /nfs/dbraw/zinc/42/96/35/929429635.db2.gz GZVANCSYZQKEGF-NTKDMRAZSA-N 2 1 393.575 3.748 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000753585449 929429643 /nfs/dbraw/zinc/42/96/43/929429643.db2.gz GZVANCSYZQKEGF-NTKDMRAZSA-N 2 1 393.575 3.748 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000753585449 929429645 /nfs/dbraw/zinc/42/96/45/929429645.db2.gz GZVANCSYZQKEGF-NTKDMRAZSA-N 2 1 393.575 3.748 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000757727339 929784262 /nfs/dbraw/zinc/78/42/62/929784262.db2.gz HBGIOOVEZHVOJT-IDJJCAIYSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCCCC1 ZINC000469731673 930119115 /nfs/dbraw/zinc/11/91/15/930119115.db2.gz REYWPJKGYSUDHC-IBGZPJMESA-N 2 1 383.536 3.792 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCCCC1 ZINC000469731673 930119119 /nfs/dbraw/zinc/11/91/19/930119119.db2.gz REYWPJKGYSUDHC-IBGZPJMESA-N 2 1 383.536 3.792 20 0 GHADMP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000469736595 930124222 /nfs/dbraw/zinc/12/42/22/930124222.db2.gz XCTXYNBISQPVEJ-SBHAEUEKSA-N 2 1 383.561 3.522 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000469736595 930124226 /nfs/dbraw/zinc/12/42/26/930124226.db2.gz XCTXYNBISQPVEJ-SBHAEUEKSA-N 2 1 383.561 3.522 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000469736595 930124231 /nfs/dbraw/zinc/12/42/31/930124231.db2.gz XCTXYNBISQPVEJ-SBHAEUEKSA-N 2 1 383.561 3.522 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)[C@H]1c1cccs1 ZINC000469736595 930124232 /nfs/dbraw/zinc/12/42/32/930124232.db2.gz XCTXYNBISQPVEJ-SBHAEUEKSA-N 2 1 383.561 3.522 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000759534228 930395163 /nfs/dbraw/zinc/39/51/63/930395163.db2.gz JPKQKDXLYKBYJZ-QZNJRLLKSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470597868 930740361 /nfs/dbraw/zinc/74/03/61/930740361.db2.gz HSNKYRDSTFEXMG-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000470597868 930740371 /nfs/dbraw/zinc/74/03/71/930740371.db2.gz HSNKYRDSTFEXMG-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP C[C@@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781379970 930823220 /nfs/dbraw/zinc/82/32/20/930823220.db2.gz ZLIDAOPUZICFJT-NDUMYTTKSA-N 2 1 390.616 3.736 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000470719288 930852190 /nfs/dbraw/zinc/85/21/90/930852190.db2.gz DSXVCDCSMNDRFU-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470746328 930878597 /nfs/dbraw/zinc/87/85/97/930878597.db2.gz NOHFOCDYNVQQRR-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925021546 931615192 /nfs/dbraw/zinc/61/51/92/931615192.db2.gz AHTXZOVGJKYHBO-AUSIDOKSSA-N 2 1 379.504 3.744 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925021546 931615202 /nfs/dbraw/zinc/61/52/02/931615202.db2.gz AHTXZOVGJKYHBO-AUSIDOKSSA-N 2 1 379.504 3.744 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)C3CCOCC3)CC2)cs1 ZINC000925029659 931618498 /nfs/dbraw/zinc/61/84/98/931618498.db2.gz DOHNUDAHNYPBHM-NRFANRHFSA-N 2 1 377.598 3.712 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424178 931996904 /nfs/dbraw/zinc/99/69/04/931996904.db2.gz XASSEYFKDOQDED-FZMZJTMJSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424178 931996907 /nfs/dbraw/zinc/99/69/07/931996907.db2.gz XASSEYFKDOQDED-FZMZJTMJSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424178 931996912 /nfs/dbraw/zinc/99/69/12/931996912.db2.gz XASSEYFKDOQDED-FZMZJTMJSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424178 931996916 /nfs/dbraw/zinc/99/69/16/931996916.db2.gz XASSEYFKDOQDED-FZMZJTMJSA-N 2 1 377.273 3.823 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@@H]2CCC[C@H]21 ZINC000796746584 932052413 /nfs/dbraw/zinc/05/24/13/932052413.db2.gz UBLMSTHUCXCGMG-PCCBWWKXSA-N 2 1 387.568 3.716 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000926316201 932131067 /nfs/dbraw/zinc/13/10/67/932131067.db2.gz LUNQJSMGLPYHQX-FRIKZZABSA-N 2 1 378.520 3.715 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000926316201 932131070 /nfs/dbraw/zinc/13/10/70/932131070.db2.gz LUNQJSMGLPYHQX-FRIKZZABSA-N 2 1 378.520 3.715 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976823 932133236 /nfs/dbraw/zinc/13/32/36/932133236.db2.gz FPCKUFLOTGDZMU-AUSIDOKSSA-N 2 1 375.520 3.830 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cncn1 ZINC000926784331 932305520 /nfs/dbraw/zinc/30/55/20/932305520.db2.gz DNQALKSYPNGNDO-XVLXNVKGSA-N 2 1 393.457 3.557 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cncn1 ZINC000926784331 932305522 /nfs/dbraw/zinc/30/55/22/932305522.db2.gz DNQALKSYPNGNDO-XVLXNVKGSA-N 2 1 393.457 3.557 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCCc4c(Cl)ccnc43)C2)[C@H]1C(C)C ZINC000926880857 932335384 /nfs/dbraw/zinc/33/53/84/932335384.db2.gz QFYZYLDOCGXAGH-VXXGZENSSA-N 2 1 377.960 3.572 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798119869 932538498 /nfs/dbraw/zinc/53/84/98/932538498.db2.gz FOOWSSDBXRVWHR-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184577 932555015 /nfs/dbraw/zinc/55/50/15/932555015.db2.gz YCOXPODXOGTWIC-IRXDYDNUSA-N 2 1 377.598 3.815 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1SC(C)(C)C ZINC000798184577 932555022 /nfs/dbraw/zinc/55/50/22/932555022.db2.gz YCOXPODXOGTWIC-IRXDYDNUSA-N 2 1 377.598 3.815 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000798525892 932689179 /nfs/dbraw/zinc/68/91/79/932689179.db2.gz HXLRPOATQROBLW-QHCPKHFHSA-N 2 1 383.536 3.763 20 0 GHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798934495 932821463 /nfs/dbraw/zinc/82/14/63/932821463.db2.gz HCOZRMJTRTXRHK-DVECYGJZSA-N 2 1 396.531 3.801 20 0 GHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934495 932821466 /nfs/dbraw/zinc/82/14/66/932821466.db2.gz HCOZRMJTRTXRHK-DVECYGJZSA-N 2 1 396.531 3.801 20 0 GHADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935408 932823581 /nfs/dbraw/zinc/82/35/81/932823581.db2.gz PZNTWXOJKNEHIQ-YKSBVNFPSA-N 2 1 379.548 3.930 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)CC1 ZINC000798957276 932839620 /nfs/dbraw/zinc/83/96/20/932839620.db2.gz QCPQXNXVXMTOHB-UHFFFAOYSA-N 2 1 385.533 3.847 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCOc3cc(F)cc(Br)c3)C2)CC1 ZINC000799177705 932898294 /nfs/dbraw/zinc/89/82/94/932898294.db2.gz BEALNUHYFLNSSF-UHFFFAOYSA-N 2 1 385.321 3.775 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nn(-c4ccc(F)cc4)c4c3CCC4)C2)CC1 ZINC000799177803 932898518 /nfs/dbraw/zinc/89/85/18/932898518.db2.gz FLJVVAOHZGIFFZ-UHFFFAOYSA-N 2 1 382.527 3.808 20 0 GHADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177292 932899776 /nfs/dbraw/zinc/89/97/76/932899776.db2.gz POVFEBHJIFNUGZ-UHFFFAOYSA-N 2 1 397.519 3.826 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC000799178672 932900907 /nfs/dbraw/zinc/90/09/07/932900907.db2.gz CEVNFHJDZARFND-IBGZPJMESA-N 2 1 383.580 3.550 20 0 GHADMP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000559879219 932919308 /nfs/dbraw/zinc/91/93/08/932919308.db2.gz UJVXPJDEGPVQOP-VGOFRKELSA-N 2 1 387.543 3.874 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000560153194 933097253 /nfs/dbraw/zinc/09/72/53/933097253.db2.gz WOHLEYFZMCYGHY-IBGZPJMESA-N 2 1 391.302 3.880 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)cc1)C(C)C ZINC000928836461 933125238 /nfs/dbraw/zinc/12/52/38/933125238.db2.gz NQWWHSBWDKJONE-QFIPXVFZSA-N 2 1 382.552 3.735 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001116003922 933277791 /nfs/dbraw/zinc/27/77/91/933277791.db2.gz COSXKJHTXDZABJ-HSZRJFAPSA-N 2 1 398.595 3.597 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001116003922 933277799 /nfs/dbraw/zinc/27/77/99/933277799.db2.gz COSXKJHTXDZABJ-HSZRJFAPSA-N 2 1 398.595 3.597 20 0 GHADMP C[C@H]1C[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000561045969 933813408 /nfs/dbraw/zinc/81/34/08/933813408.db2.gz QGIVSZDBLIDLJQ-FXAWDEMLSA-N 2 1 378.520 3.507 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc4c3CC[NH2+]C4)cc2)C1 ZINC000561045464 933813725 /nfs/dbraw/zinc/81/37/25/933813725.db2.gz LVCQAEJNRUWITA-SFHVURJKSA-N 2 1 392.547 3.886 20 0 GHADMP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(Cl)ccc1OC ZINC000561786618 934452216 /nfs/dbraw/zinc/45/22/16/934452216.db2.gz VSKYUTRJOCCSEG-SFHVURJKSA-N 2 1 377.916 3.925 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001121211632 934589884 /nfs/dbraw/zinc/58/98/84/934589884.db2.gz FQVXDPGVESFRHM-UHFFFAOYSA-N 2 1 380.536 3.712 20 0 GHADMP CC(CC[NH+]1CCC[C@@H]1c1ccnn1C)CC[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932262303 934863023 /nfs/dbraw/zinc/86/30/23/934863023.db2.gz UGRIYENTZSLUPL-FGZHOGPDSA-N 2 1 384.572 3.544 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(-c5cncnc5)c4)C[C@@H]3C2)c1 ZINC001137765873 935778638 /nfs/dbraw/zinc/77/86/38/935778638.db2.gz OBPTYDMQPGKFQT-NHCUHLMSSA-N 2 1 376.529 3.769 20 0 GHADMP C[N@H+]1C[C@]23C[NH+](C[C@H](O)COc4cc(Cl)cc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001460976522 1069311357 /nfs/dbraw/zinc/31/13/57/1069311357.db2.gz PFMZJSNLULRJLR-YSIASYRMSA-N 2 1 399.362 3.541 20 0 GHADMP C[N@@H+]1C[C@]23C[NH+](C[C@H](O)COc4cc(Cl)cc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001460976522 1069311346 /nfs/dbraw/zinc/31/13/46/1069311346.db2.gz PFMZJSNLULRJLR-YSIASYRMSA-N 2 1 399.362 3.541 20 0 GHADMP C[NH+]1C[C@]23C[N@H+](C[C@H](O)COc4cc(Cl)cc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001460976522 1069311368 /nfs/dbraw/zinc/31/13/68/1069311368.db2.gz PFMZJSNLULRJLR-YSIASYRMSA-N 2 1 399.362 3.541 20 0 GHADMP C[NH+]1C[C@]23C[N@@H+](C[C@H](O)COc4cc(Cl)cc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001460976522 1069311380 /nfs/dbraw/zinc/31/13/80/1069311380.db2.gz PFMZJSNLULRJLR-YSIASYRMSA-N 2 1 399.362 3.541 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001626098546 1014882167 /nfs/dbraw/zinc/88/21/67/1014882167.db2.gz LEWRKELCLARFJD-SFHVURJKSA-N 2 1 390.597 3.869 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753400 1014944585 /nfs/dbraw/zinc/94/45/85/1014944585.db2.gz PLHJNQQDZUJUFV-OKYOBFRVSA-N 2 1 389.609 3.881 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC001154465842 1032122256 /nfs/dbraw/zinc/12/22/56/1032122256.db2.gz NKKPQWABCCJGDP-YDHSSHFGSA-N 2 1 379.548 3.549 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC001154465842 1032122264 /nfs/dbraw/zinc/12/22/64/1032122264.db2.gz NKKPQWABCCJGDP-YDHSSHFGSA-N 2 1 379.548 3.549 20 0 GHADMP CC[C@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@H+]1Cc1ccccc1 ZINC000545548086 1016020458 /nfs/dbraw/zinc/02/04/58/1016020458.db2.gz IUZDYJGPVIKPSZ-QFIPXVFZSA-N 2 1 375.520 3.672 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000468984683 1016308187 /nfs/dbraw/zinc/30/81/87/1016308187.db2.gz LYQIGGKPTOUAQX-FRQCXROJSA-N 2 1 391.357 3.534 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000468984683 1016308194 /nfs/dbraw/zinc/30/81/94/1016308194.db2.gz LYQIGGKPTOUAQX-FRQCXROJSA-N 2 1 391.357 3.534 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000469980960 1016688516 /nfs/dbraw/zinc/68/85/16/1016688516.db2.gz HKOVEYZVHFYEOO-RTBURBONSA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000469980960 1016688526 /nfs/dbraw/zinc/68/85/26/1016688526.db2.gz HKOVEYZVHFYEOO-RTBURBONSA-N 2 1 397.485 3.783 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC001227458441 1032427384 /nfs/dbraw/zinc/42/73/84/1032427384.db2.gz YVLMOJFFAMIWSQ-AZUAARDMSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001227458441 1032427388 /nfs/dbraw/zinc/42/73/88/1032427388.db2.gz YVLMOJFFAMIWSQ-AZUAARDMSA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001227458441 1032427398 /nfs/dbraw/zinc/42/73/98/1032427398.db2.gz YVLMOJFFAMIWSQ-AZUAARDMSA-N 2 1 378.605 3.593 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[NH+](C)C)cc1 ZINC001221537640 1032453855 /nfs/dbraw/zinc/45/38/55/1032453855.db2.gz PAVJRLHUAGZRLV-OIBXWCBGSA-N 2 1 394.563 3.560 20 0 GHADMP CC(C)c1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155364993 1032521157 /nfs/dbraw/zinc/52/11/57/1032521157.db2.gz YAVDCBMUKBVQON-FQEVSTJZSA-N 2 1 379.552 3.514 20 0 GHADMP Fc1ccc(Cl)nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155359218 1032518325 /nfs/dbraw/zinc/51/83/25/1032518325.db2.gz YZAFINPNMKCNQW-KRWDZBQOSA-N 2 1 388.918 3.788 20 0 GHADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc(C(C)C)n1 ZINC001155361472 1032519249 /nfs/dbraw/zinc/51/92/49/1032519249.db2.gz MWOULQXHJAURAL-NRFANRHFSA-N 2 1 393.579 3.822 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC001221913987 1032571581 /nfs/dbraw/zinc/57/15/81/1032571581.db2.gz YEXBPVMKOPDWDA-FXAWDEMLSA-N 2 1 392.563 3.628 20 0 GHADMP CCc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)cc1 ZINC001204175254 1032626297 /nfs/dbraw/zinc/62/62/97/1032626297.db2.gz BLIFXXYHVZSJIG-WXFUMESZSA-N 2 1 386.580 3.729 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1C[NH+]1CCCCC1 ZINC000925784826 1017148248 /nfs/dbraw/zinc/14/82/48/1017148248.db2.gz SNZLYKYUPZLPTR-VQIMIIECSA-N 3 1 381.511 3.577 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(-c2ccnn2C)c1 ZINC000558776893 1017283441 /nfs/dbraw/zinc/28/34/41/1017283441.db2.gz HXILMMKDQACXQV-UHFFFAOYSA-N 2 1 390.531 3.518 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000560276804 1017582281 /nfs/dbraw/zinc/58/22/81/1017582281.db2.gz HWCSFSHWMNANRT-UHFFFAOYSA-N 2 1 378.516 3.961 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001204272168 1032714716 /nfs/dbraw/zinc/71/47/16/1032714716.db2.gz YFBNMDMGLZMGFL-UKILVPOCSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC001204272168 1032714725 /nfs/dbraw/zinc/71/47/25/1032714725.db2.gz YFBNMDMGLZMGFL-UKILVPOCSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC001204272168 1032714731 /nfs/dbraw/zinc/71/47/31/1032714731.db2.gz YFBNMDMGLZMGFL-UKILVPOCSA-N 2 1 393.575 3.723 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)[C@H]1c1ccccc1 ZINC001204271974 1032715361 /nfs/dbraw/zinc/71/53/61/1032715361.db2.gz FFFXOBICPZNPDW-GOTSBHOMSA-N 2 1 396.531 3.753 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000932702457 1018592093 /nfs/dbraw/zinc/59/20/93/1018592093.db2.gz QTTMGZTVFOMDOC-UHFFFAOYSA-N 2 1 375.557 3.850 20 0 GHADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000562770760 1018621475 /nfs/dbraw/zinc/62/14/75/1018621475.db2.gz FUYLKVUBOCLKER-UHFFFAOYSA-N 2 1 398.938 3.726 20 0 GHADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000562770760 1018621477 /nfs/dbraw/zinc/62/14/77/1018621477.db2.gz FUYLKVUBOCLKER-UHFFFAOYSA-N 2 1 398.938 3.726 20 0 GHADMP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563389904 1018909007 /nfs/dbraw/zinc/90/90/07/1018909007.db2.gz KBXRGWVENBDUBF-HSZRJFAPSA-N 2 1 379.548 3.527 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CO[C@H]1CCCc2ccccc21 ZINC000563515175 1018923160 /nfs/dbraw/zinc/92/31/60/1018923160.db2.gz LMSOXBLCOADURV-ZCYQVOJMSA-N 2 1 394.559 3.696 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc2c1OCC2 ZINC001204490128 1032923177 /nfs/dbraw/zinc/92/31/77/1032923177.db2.gz QRCANOKYVZUBNL-ZCYQVOJMSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc2c1OCC2 ZINC001204490128 1032923181 /nfs/dbraw/zinc/92/31/81/1032923181.db2.gz QRCANOKYVZUBNL-ZCYQVOJMSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc2c1OCC2 ZINC001204490128 1032923184 /nfs/dbraw/zinc/92/31/84/1032923184.db2.gz QRCANOKYVZUBNL-ZCYQVOJMSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc2c1OCC2 ZINC001204490128 1032923194 /nfs/dbraw/zinc/92/31/94/1032923194.db2.gz QRCANOKYVZUBNL-ZCYQVOJMSA-N 2 1 396.575 3.582 20 0 GHADMP Cc1c(F)cccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001204511167 1032940940 /nfs/dbraw/zinc/94/09/40/1032940940.db2.gz RWEDIQCUNDZDGA-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000834588647 1021287857 /nfs/dbraw/zinc/28/78/57/1021287857.db2.gz DLKDLMCOIOKEKM-FYQPLNBISA-N 2 1 397.604 3.501 20 0 GHADMP COc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1F ZINC001204557055 1032970214 /nfs/dbraw/zinc/97/02/14/1032970214.db2.gz FABRZFJKRKIMRI-GOSISDBHSA-N 2 1 388.483 3.683 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001140399789 1021565865 /nfs/dbraw/zinc/56/58/65/1021565865.db2.gz ODTHSMJZAFFMDK-UHFFFAOYSA-N 2 1 377.467 3.725 20 0 GHADMP COC(=O)c1cnc([C@@H](C)[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000903454565 1021602973 /nfs/dbraw/zinc/60/29/73/1021602973.db2.gz DAOMXTIWQITYPX-YSHGAJCASA-N 2 1 399.560 3.881 20 0 GHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2nc(-c3ccccn3)n[nH]2)ccc1OC ZINC000834902481 1021650085 /nfs/dbraw/zinc/65/00/85/1021650085.db2.gz BFCDBHJSBKGXAD-INIZCTEOSA-N 2 1 394.523 3.568 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001228629763 1033019371 /nfs/dbraw/zinc/01/93/71/1033019371.db2.gz YQTQAADZTNYKCK-NLWGTHIKSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001228629763 1033019388 /nfs/dbraw/zinc/01/93/88/1033019388.db2.gz YQTQAADZTNYKCK-NLWGTHIKSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001228629763 1033019406 /nfs/dbraw/zinc/01/94/06/1033019406.db2.gz YQTQAADZTNYKCK-NLWGTHIKSA-N 2 1 392.613 3.503 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)ccc1O ZINC001140576606 1021996848 /nfs/dbraw/zinc/99/68/48/1021996848.db2.gz BRZXRFMLEMLKSD-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)ccc1O ZINC001140576606 1021996851 /nfs/dbraw/zinc/99/68/51/1021996851.db2.gz BRZXRFMLEMLKSD-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)ccc1O ZINC001140576606 1021996855 /nfs/dbraw/zinc/99/68/55/1021996855.db2.gz BRZXRFMLEMLKSD-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)ccc1O ZINC001140576606 1021996863 /nfs/dbraw/zinc/99/68/63/1021996863.db2.gz BRZXRFMLEMLKSD-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001140617894 1022083283 /nfs/dbraw/zinc/08/32/83/1022083283.db2.gz VBFHWNZMIWOJFB-DNQXCXABSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001140617894 1022083294 /nfs/dbraw/zinc/08/32/94/1022083294.db2.gz VBFHWNZMIWOJFB-DNQXCXABSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001140617894 1022083313 /nfs/dbraw/zinc/08/33/13/1022083313.db2.gz VBFHWNZMIWOJFB-DNQXCXABSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001140617894 1022083323 /nfs/dbraw/zinc/08/33/23/1022083323.db2.gz VBFHWNZMIWOJFB-DNQXCXABSA-N 2 1 391.559 3.779 20 0 GHADMP c1[nH]c2ncccc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001137399251 1022104668 /nfs/dbraw/zinc/10/46/68/1022104668.db2.gz QULSKSTUDLUSDB-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]c2ncccc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001137399251 1022104676 /nfs/dbraw/zinc/10/46/76/1022104676.db2.gz QULSKSTUDLUSDB-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204685791 1033030376 /nfs/dbraw/zinc/03/03/76/1033030376.db2.gz JWGFOBFMJGMDEB-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001204685791 1033030379 /nfs/dbraw/zinc/03/03/79/1033030379.db2.gz JWGFOBFMJGMDEB-PKTZIBPZSA-N 2 1 378.516 3.817 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc(C)c1O ZINC001140655547 1022182084 /nfs/dbraw/zinc/18/20/84/1022182084.db2.gz PPLTXDWPSRLFHS-FQEVSTJZSA-N 2 1 384.520 3.858 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc(C)c1O ZINC001140655242 1022182192 /nfs/dbraw/zinc/18/21/92/1022182192.db2.gz DIDCMBFQRLRRSM-QFIPXVFZSA-N 2 1 395.547 3.660 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc(C)c1O ZINC001140655850 1022184691 /nfs/dbraw/zinc/18/46/91/1022184691.db2.gz AVXPGGNBJKCIBJ-UHFFFAOYSA-N 2 1 395.547 3.519 20 0 GHADMP Fc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c(F)c1Cl ZINC001204763148 1033077095 /nfs/dbraw/zinc/07/70/95/1033077095.db2.gz HLSKNCACOHAURN-UHFFFAOYSA-N 2 1 377.866 3.586 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140974207 1023050807 /nfs/dbraw/zinc/05/08/07/1023050807.db2.gz XQTYPGJCFAPODW-UHFFFAOYSA-N 2 1 388.353 3.833 20 0 GHADMP CC1(C)CCc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc2O1 ZINC001141181823 1024025830 /nfs/dbraw/zinc/02/58/30/1024025830.db2.gz SZNIUCRLLRVQAO-UHFFFAOYSA-N 2 1 394.563 3.641 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1F ZINC001141220972 1024176423 /nfs/dbraw/zinc/17/64/23/1024176423.db2.gz RMFVXIZVSVMIIG-GOSISDBHSA-N 2 1 388.483 3.683 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1OCc1ccccc1 ZINC001141253703 1024296357 /nfs/dbraw/zinc/29/63/57/1024296357.db2.gz XCMHCRUJDXYEAU-BJKOFHAPSA-N 2 1 393.575 3.784 20 0 GHADMP COC(=O)c1ccc2c(CN3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c[nH]c2c1 ZINC001138261597 1024493901 /nfs/dbraw/zinc/49/39/01/1024493901.db2.gz ALFBCVLPQXAPOT-ROUUACIJSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1ccc2c(C[NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)c[nH]c2c1 ZINC001138261597 1024493909 /nfs/dbraw/zinc/49/39/09/1024493909.db2.gz ALFBCVLPQXAPOT-ROUUACIJSA-N 2 1 395.528 3.580 20 0 GHADMP Cc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1C ZINC001205076527 1033238361 /nfs/dbraw/zinc/23/83/61/1033238361.db2.gz XFMIQHBEGUUCBY-WXFUMESZSA-N 2 1 386.580 3.784 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c(C)c1 ZINC001138433449 1024834674 /nfs/dbraw/zinc/83/46/74/1024834674.db2.gz MRVHCXWPMATNLT-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c(C)c1 ZINC001138433449 1024834695 /nfs/dbraw/zinc/83/46/95/1024834695.db2.gz MRVHCXWPMATNLT-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c(C)c1 ZINC001138433449 1024834716 /nfs/dbraw/zinc/83/47/16/1024834716.db2.gz MRVHCXWPMATNLT-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000121866767 1024921841 /nfs/dbraw/zinc/92/18/41/1024921841.db2.gz LWDHOBQJWLDVAE-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000121866767 1024921843 /nfs/dbraw/zinc/92/18/43/1024921843.db2.gz LWDHOBQJWLDVAE-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000831875986 1024965446 /nfs/dbraw/zinc/96/54/46/1024965446.db2.gz HPVAUUHHXROHPA-UHFFFAOYSA-N 2 1 385.474 3.647 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001138543685 1024986960 /nfs/dbraw/zinc/98/69/60/1024986960.db2.gz XWQBRGOFNCGOFG-JOCHJYFZSA-N 2 1 392.528 3.871 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC001138543685 1024986967 /nfs/dbraw/zinc/98/69/67/1024986967.db2.gz XWQBRGOFNCGOFG-JOCHJYFZSA-N 2 1 392.528 3.871 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cn(C)nc1C1CCCC1 ZINC001202860315 1025270388 /nfs/dbraw/zinc/27/03/88/1025270388.db2.gz PMWXUPHMOYJXQL-FYYLOGMGSA-N 2 1 396.579 3.704 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC001202860315 1025270411 /nfs/dbraw/zinc/27/04/11/1025270411.db2.gz PMWXUPHMOYJXQL-FYYLOGMGSA-N 2 1 396.579 3.704 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC001202860315 1025270420 /nfs/dbraw/zinc/27/04/20/1025270420.db2.gz PMWXUPHMOYJXQL-FYYLOGMGSA-N 2 1 396.579 3.704 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000832257226 1025379329 /nfs/dbraw/zinc/37/93/29/1025379329.db2.gz FWKHSQXDFCOVJJ-UXHICEINSA-N 2 1 379.589 3.831 20 0 GHADMP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)n1 ZINC000838865488 1025404495 /nfs/dbraw/zinc/40/44/95/1025404495.db2.gz GULNDJWUJHXXLF-UHFFFAOYSA-N 2 1 378.992 3.672 20 0 GHADMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)n1 ZINC000838865488 1025404507 /nfs/dbraw/zinc/40/45/07/1025404507.db2.gz GULNDJWUJHXXLF-UHFFFAOYSA-N 2 1 378.992 3.672 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000838918137 1025442812 /nfs/dbraw/zinc/44/28/12/1025442812.db2.gz AYCDHXQRJHBSQT-FQEVSTJZSA-N 2 1 399.579 3.888 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138882465 1025519911 /nfs/dbraw/zinc/51/99/11/1025519911.db2.gz BMRLHLXVNAUKOK-NHCUHLMSSA-N 2 1 376.479 3.780 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2CCc3cc(C)ccc3C2)c1C ZINC001141576609 1025652791 /nfs/dbraw/zinc/65/27/91/1025652791.db2.gz UPJFNZJKUGKFFI-UHFFFAOYSA-N 2 1 396.579 3.570 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCc3cc(C)ccc3C2)c1C ZINC001141576609 1025652797 /nfs/dbraw/zinc/65/27/97/1025652797.db2.gz UPJFNZJKUGKFFI-UHFFFAOYSA-N 2 1 396.579 3.570 20 0 GHADMP CCc1c[nH]c2nc[nH+]c(NCC3CC[NH+](Cc4ccc(OC)cc4)CC3)c12 ZINC001162313890 1025712440 /nfs/dbraw/zinc/71/24/40/1025712440.db2.gz OQUZLUPJEGWQBB-UHFFFAOYSA-N 2 1 379.508 3.805 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc4ccccc4o3)O2)CC1 ZINC001139063128 1025857358 /nfs/dbraw/zinc/85/73/58/1025857358.db2.gz NBYFITSXQLQYTN-KIFXHHALSA-N 2 1 398.547 3.913 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4nnccc4c3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162933206 1025971550 /nfs/dbraw/zinc/97/15/50/1025971550.db2.gz AFQFYJOVVLBNSO-NRFANRHFSA-N 2 1 387.531 3.544 20 0 GHADMP Cc1c2[nH+]c[nH]c2ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933764 1025972703 /nfs/dbraw/zinc/97/27/03/1025972703.db2.gz HXKXUTUXTGITAN-FQEVSTJZSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1c2nc[nH]c2ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933764 1025972706 /nfs/dbraw/zinc/97/27/06/1025972706.db2.gz HXKXUTUXTGITAN-FQEVSTJZSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1c2nc[nH]c2ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933764 1025972713 /nfs/dbraw/zinc/97/27/13/1025972713.db2.gz HXKXUTUXTGITAN-FQEVSTJZSA-N 2 1 389.547 3.785 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4c(c3)NCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941809 1025978815 /nfs/dbraw/zinc/97/88/15/1025978815.db2.gz QDZQCMIGBHVLMJ-OAQYLSRUSA-N 2 1 376.548 3.568 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc4cc(F)ccc4n3)C2)C1 ZINC001141644693 1026019161 /nfs/dbraw/zinc/01/91/61/1026019161.db2.gz JACIKURTYGHDKN-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc4cc(F)ccc4n3)C2)C1 ZINC001141644693 1026019179 /nfs/dbraw/zinc/01/91/79/1026019179.db2.gz JACIKURTYGHDKN-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4cc(F)ccc4n3)C2)C1 ZINC001141644693 1026019198 /nfs/dbraw/zinc/01/91/98/1026019198.db2.gz JACIKURTYGHDKN-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4cc(F)ccc4n3)C2)C1 ZINC001141644693 1026019218 /nfs/dbraw/zinc/01/92/18/1026019218.db2.gz JACIKURTYGHDKN-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(Br)c1O ZINC001461053279 1069363831 /nfs/dbraw/zinc/36/38/31/1069363831.db2.gz UISICCBLFRWWBB-AWEZNQCLSA-N 2 1 385.346 3.765 20 0 GHADMP CC[NH+](CC)CCNC(=[NH2+])Nc1nnc(-c2ccc(F)c(F)c2)c2ccccc21 ZINC001163129402 1026058512 /nfs/dbraw/zinc/05/85/12/1026058512.db2.gz WLFVNCUQTXJFAJ-UHFFFAOYSA-N 2 1 398.461 3.853 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccc4nsnc4c3)CC2)c2ccccc2[nH+]1 ZINC001139210471 1026058913 /nfs/dbraw/zinc/05/89/13/1026058913.db2.gz NOGOPGKJZUPIDZ-UHFFFAOYSA-N 2 1 375.501 3.870 20 0 GHADMP C[NH+]1CCC2(C[NH+](Cc3ccc(Br)cc3N3CCCCC3)C2)CC1 ZINC001139254465 1026106286 /nfs/dbraw/zinc/10/62/86/1026106286.db2.gz XOXPVKAMBUYPGW-UHFFFAOYSA-N 2 1 392.385 3.967 20 0 GHADMP COc1ccc(OC)c(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c1N ZINC001139272905 1026122059 /nfs/dbraw/zinc/12/20/59/1026122059.db2.gz LVHVSCQQYKYUOF-JXQFQVJHSA-N 2 1 395.547 3.897 20 0 GHADMP COc1ccc(OC)c(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c1N ZINC001139272905 1026122073 /nfs/dbraw/zinc/12/20/73/1026122073.db2.gz LVHVSCQQYKYUOF-JXQFQVJHSA-N 2 1 395.547 3.897 20 0 GHADMP COc1ccc(OC)c(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)c1N ZINC001139272905 1026122078 /nfs/dbraw/zinc/12/20/78/1026122078.db2.gz LVHVSCQQYKYUOF-JXQFQVJHSA-N 2 1 395.547 3.897 20 0 GHADMP COc1ccc(OC)c(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)c1N ZINC001139272905 1026122088 /nfs/dbraw/zinc/12/20/88/1026122088.db2.gz LVHVSCQQYKYUOF-JXQFQVJHSA-N 2 1 395.547 3.897 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@H]2C1 ZINC001139305208 1026159398 /nfs/dbraw/zinc/15/93/98/1026159398.db2.gz GRECZIRTMHVCHU-HZPDHXFCSA-N 2 1 377.941 3.759 20 0 GHADMP COCC[N@@H+](C)[C@H](CNc1cc(-n2ccnc2)cc[nH+]1)c1ccc(Cl)cc1 ZINC001163385439 1026171093 /nfs/dbraw/zinc/17/10/93/1026171093.db2.gz VRDMXWCDVCVVLZ-LJQANCHMSA-N 2 1 385.899 3.652 20 0 GHADMP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)CCc2ccc(Cl)cc21 ZINC001139325083 1026184068 /nfs/dbraw/zinc/18/40/68/1026184068.db2.gz BGNQTYVOJUYEHF-HNNXBMFYSA-N 2 1 390.984 3.710 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)CCc2ccc(Cl)cc21 ZINC001139325083 1026184071 /nfs/dbraw/zinc/18/40/71/1026184071.db2.gz BGNQTYVOJUYEHF-HNNXBMFYSA-N 2 1 390.984 3.710 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001139361790 1026236008 /nfs/dbraw/zinc/23/60/08/1026236008.db2.gz PYIFALKWWCGUKK-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001139361790 1026236022 /nfs/dbraw/zinc/23/60/22/1026236022.db2.gz PYIFALKWWCGUKK-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001139361790 1026236035 /nfs/dbraw/zinc/23/60/35/1026236035.db2.gz PYIFALKWWCGUKK-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cn2)C[C@@H](C)O1 ZINC001139386513 1026253055 /nfs/dbraw/zinc/25/30/55/1026253055.db2.gz ZRKVHGAKEFRJNI-WKDRNLAYSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cn2)C[C@@H](C)O1 ZINC001139386513 1026253062 /nfs/dbraw/zinc/25/30/62/1026253062.db2.gz ZRKVHGAKEFRJNI-WKDRNLAYSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cn2)C[C@@H](C)O1 ZINC001139386513 1026253072 /nfs/dbraw/zinc/25/30/72/1026253072.db2.gz ZRKVHGAKEFRJNI-WKDRNLAYSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cn2)C[C@@H](C)O1 ZINC001139386513 1026253083 /nfs/dbraw/zinc/25/30/83/1026253083.db2.gz ZRKVHGAKEFRJNI-WKDRNLAYSA-N 2 1 386.584 3.534 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498175 1026355745 /nfs/dbraw/zinc/35/57/45/1026355745.db2.gz NQGOETMIDTVUMU-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498175 1026355758 /nfs/dbraw/zinc/35/57/58/1026355758.db2.gz NQGOETMIDTVUMU-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498175 1026355768 /nfs/dbraw/zinc/35/57/68/1026355768.db2.gz NQGOETMIDTVUMU-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498175 1026355772 /nfs/dbraw/zinc/35/57/72/1026355772.db2.gz NQGOETMIDTVUMU-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3ccsc3)nc1)C2 ZINC001139498175 1026355780 /nfs/dbraw/zinc/35/57/80/1026355780.db2.gz NQGOETMIDTVUMU-GGAORHGYSA-N 2 1 397.588 3.990 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC001139515161 1026370931 /nfs/dbraw/zinc/37/09/31/1026370931.db2.gz HBZOQFRCJSVSRP-HSZRJFAPSA-N 2 1 379.548 3.620 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001139515022 1026371582 /nfs/dbraw/zinc/37/15/82/1026371582.db2.gz COQLDXZDOMIUOM-NHCUHLMSSA-N 2 1 379.548 3.618 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)[C@H](C)CO1 ZINC001139515022 1026371594 /nfs/dbraw/zinc/37/15/94/1026371594.db2.gz COQLDXZDOMIUOM-NHCUHLMSSA-N 2 1 379.548 3.618 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001139515737 1026373108 /nfs/dbraw/zinc/37/31/08/1026373108.db2.gz WSZQSORJWHVIKS-OAQYLSRUSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCCC1=O ZINC001139515737 1026373121 /nfs/dbraw/zinc/37/31/21/1026373121.db2.gz WSZQSORJWHVIKS-OAQYLSRUSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001461096095 1069386945 /nfs/dbraw/zinc/38/69/45/1069386945.db2.gz NZZJTDNVNIITIF-ZCNNSNEGSA-N 2 1 375.576 3.789 20 0 GHADMP C[NH+](C)C1(CNc2ccc3c(c2)[C@H](c2ccccc2)CC(=O)N3)CC[NH+](C)CC1 ZINC001164213112 1026455533 /nfs/dbraw/zinc/45/55/33/1026455533.db2.gz PFCJPFQKLCKIQP-FQEVSTJZSA-N 2 1 392.547 3.599 20 0 GHADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]c1N1CCOCC1 ZINC001164492114 1026529598 /nfs/dbraw/zinc/52/95/98/1026529598.db2.gz IYLSBPBNVBGBPW-MDNUFGMLSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]c1N1CCOCC1 ZINC001164492114 1026529600 /nfs/dbraw/zinc/52/96/00/1026529600.db2.gz IYLSBPBNVBGBPW-MDNUFGMLSA-N 2 1 392.547 3.549 20 0 GHADMP Cn1c(=O)cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC001139757712 1026596903 /nfs/dbraw/zinc/59/69/03/1026596903.db2.gz CTGRYXCKJWRAQL-RUZDIDTESA-N 2 1 387.527 3.637 20 0 GHADMP Cn1c(=O)cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC001139757712 1026596910 /nfs/dbraw/zinc/59/69/10/1026596910.db2.gz CTGRYXCKJWRAQL-RUZDIDTESA-N 2 1 387.527 3.637 20 0 GHADMP Cn1c(=O)cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC001139757712 1026596917 /nfs/dbraw/zinc/59/69/17/1026596917.db2.gz CTGRYXCKJWRAQL-RUZDIDTESA-N 2 1 387.527 3.637 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001139866342 1026680483 /nfs/dbraw/zinc/68/04/83/1026680483.db2.gz QJKZRECCRUQXPA-UHFFFAOYSA-N 2 1 392.503 3.679 20 0 GHADMP c1ccc(C2CC2)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001139882485 1026699265 /nfs/dbraw/zinc/69/92/65/1026699265.db2.gz NEWCJWUZSXPSPH-ISKFKSNPSA-N 2 1 377.532 3.682 20 0 GHADMP c1ccc(C2CC2)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001139882485 1026699274 /nfs/dbraw/zinc/69/92/74/1026699274.db2.gz NEWCJWUZSXPSPH-ISKFKSNPSA-N 2 1 377.532 3.682 20 0 GHADMP c1ccc(C2CC2)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001139882485 1026699282 /nfs/dbraw/zinc/69/92/82/1026699282.db2.gz NEWCJWUZSXPSPH-ISKFKSNPSA-N 2 1 377.532 3.682 20 0 GHADMP [NH3+][C@H]1[C@H]2CN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)C[C@@H]12 ZINC001165385641 1026715801 /nfs/dbraw/zinc/71/58/01/1026715801.db2.gz SELOYXHZIYDGER-CEQLMSFQSA-N 2 1 385.446 3.620 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc(Cl)nc2)CC3)c1 ZINC001139988564 1026780490 /nfs/dbraw/zinc/78/04/90/1026780490.db2.gz AOLQUIMPOASEQN-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP Cc1nccn1-c1ccccc1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001140025955 1026813454 /nfs/dbraw/zinc/81/34/54/1026813454.db2.gz UGNOKHRTRAPOCB-LADGPHEKSA-N 2 1 394.563 3.504 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001140025955 1026813468 /nfs/dbraw/zinc/81/34/68/1026813468.db2.gz UGNOKHRTRAPOCB-LADGPHEKSA-N 2 1 394.563 3.504 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001140025955 1026813481 /nfs/dbraw/zinc/81/34/81/1026813481.db2.gz UGNOKHRTRAPOCB-LADGPHEKSA-N 2 1 394.563 3.504 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001140026221 1026813755 /nfs/dbraw/zinc/81/37/55/1026813755.db2.gz IVJRZPHCDRESPM-CEQLMSFQSA-N 2 1 396.535 3.916 20 0 GHADMP COc1ccc2n[nH]c(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069513 1026848998 /nfs/dbraw/zinc/84/89/98/1026848998.db2.gz XLUYVWUQSMLTFI-HSZRJFAPSA-N 2 1 376.504 3.670 20 0 GHADMP COc1ccc2[nH]nc(CN3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069513 1026849007 /nfs/dbraw/zinc/84/90/07/1026849007.db2.gz XLUYVWUQSMLTFI-HSZRJFAPSA-N 2 1 376.504 3.670 20 0 GHADMP COc1ccc2[nH]nc(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069513 1026849019 /nfs/dbraw/zinc/84/90/19/1026849019.db2.gz XLUYVWUQSMLTFI-HSZRJFAPSA-N 2 1 376.504 3.670 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C(C)(C)C)s3)CC2)CC1 ZINC000834304828 1026915810 /nfs/dbraw/zinc/91/58/10/1026915810.db2.gz LNIHKGXWGQHDLR-UHFFFAOYSA-N 2 1 391.625 3.858 20 0 GHADMP Cc1c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cnn1-c1cc[nH+]cc1 ZINC000120073434 1026950884 /nfs/dbraw/zinc/95/08/84/1026950884.db2.gz JWVCQXHNUIEOJD-UHFFFAOYSA-N 2 1 375.476 3.732 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C(F)(F)F ZINC001206714838 1026987330 /nfs/dbraw/zinc/98/73/30/1026987330.db2.gz LMHFJDFAFQCGRM-CWLKWCNXSA-N 2 1 390.490 3.893 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C(F)(F)F ZINC001206714838 1026987336 /nfs/dbraw/zinc/98/73/36/1026987336.db2.gz LMHFJDFAFQCGRM-CWLKWCNXSA-N 2 1 390.490 3.893 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001209719348 1027116653 /nfs/dbraw/zinc/11/66/53/1027116653.db2.gz VFWZQKJZNWWDOR-UHFFFAOYSA-N 2 1 393.535 3.989 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001209776019 1027182248 /nfs/dbraw/zinc/18/22/48/1027182248.db2.gz UOHAGSNNDUFWCX-UHFFFAOYSA-N 2 1 385.577 3.681 20 0 GHADMP CN(C)c1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209776019 1027182260 /nfs/dbraw/zinc/18/22/60/1027182260.db2.gz UOHAGSNNDUFWCX-UHFFFAOYSA-N 2 1 385.577 3.681 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)o1 ZINC001141787275 1027282135 /nfs/dbraw/zinc/28/21/35/1027282135.db2.gz LHHCNSCXPKYPDF-VABKMULXSA-N 2 1 382.504 3.953 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)o1 ZINC001141787275 1027282140 /nfs/dbraw/zinc/28/21/40/1027282140.db2.gz LHHCNSCXPKYPDF-VABKMULXSA-N 2 1 382.504 3.953 20 0 GHADMP CC(=O)OCc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)o1 ZINC001141787275 1027282153 /nfs/dbraw/zinc/28/21/53/1027282153.db2.gz LHHCNSCXPKYPDF-VABKMULXSA-N 2 1 382.504 3.953 20 0 GHADMP CC(=O)OCc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)o1 ZINC001141787275 1027282163 /nfs/dbraw/zinc/28/21/63/1027282163.db2.gz LHHCNSCXPKYPDF-VABKMULXSA-N 2 1 382.504 3.953 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001203523663 1027404619 /nfs/dbraw/zinc/40/46/19/1027404619.db2.gz QVUJZGBNCMGHOT-UHFFFAOYSA-N 2 1 395.547 3.975 20 0 GHADMP CCOc1ccccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001203536761 1027414200 /nfs/dbraw/zinc/41/42/00/1027414200.db2.gz HILRABFZUVZLNC-HXUWFJFHSA-N 2 1 384.520 3.934 20 0 GHADMP FC(F)(F)c1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001203886422 1027683228 /nfs/dbraw/zinc/68/32/28/1027683228.db2.gz NWEDDOZAKOWPLL-UHFFFAOYSA-N 2 1 378.442 3.556 20 0 GHADMP FC(F)(F)c1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001203886422 1027683238 /nfs/dbraw/zinc/68/32/38/1027683238.db2.gz NWEDDOZAKOWPLL-UHFFFAOYSA-N 2 1 378.442 3.556 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001203914191 1027703206 /nfs/dbraw/zinc/70/32/06/1027703206.db2.gz KLHLCLLLZJKBQJ-QFIPXVFZSA-N 2 1 383.511 3.724 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203929866 1027721865 /nfs/dbraw/zinc/72/18/65/1027721865.db2.gz HWCXGWVXOUPPMU-DHIUTWEWSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203929866 1027721883 /nfs/dbraw/zinc/72/18/83/1027721883.db2.gz HWCXGWVXOUPPMU-DHIUTWEWSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203929866 1027721904 /nfs/dbraw/zinc/72/19/04/1027721904.db2.gz HWCXGWVXOUPPMU-DHIUTWEWSA-N 2 1 377.532 3.989 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc3ccccc3c1)CCC2 ZINC001203998829 1027797791 /nfs/dbraw/zinc/79/77/91/1027797791.db2.gz WPEMBYAMBNVENE-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](Cc1ccc3ccccc3c1)CCC2 ZINC001203998829 1027797805 /nfs/dbraw/zinc/79/78/05/1027797805.db2.gz WPEMBYAMBNVENE-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1ccc3ccccc3c1)CCC2 ZINC001203998829 1027797825 /nfs/dbraw/zinc/79/78/25/1027797825.db2.gz WPEMBYAMBNVENE-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](Cc1ccc3ccccc3c1)CCC2 ZINC001203998829 1027797846 /nfs/dbraw/zinc/79/78/46/1027797846.db2.gz WPEMBYAMBNVENE-UHFFFAOYSA-N 2 1 390.531 3.643 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841285655 1028371684 /nfs/dbraw/zinc/37/16/84/1028371684.db2.gz UBNDNVLHCDPOLO-SFHVURJKSA-N 2 1 388.556 3.533 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000841902244 1028995076 /nfs/dbraw/zinc/99/50/76/1028995076.db2.gz RCRPUZFUFOQGLR-ACBHZAAOSA-N 2 1 380.964 3.634 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001142556395 1029055660 /nfs/dbraw/zinc/05/56/60/1029055660.db2.gz KQYGONPZZPOKPM-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001142556395 1029055683 /nfs/dbraw/zinc/05/56/83/1029055683.db2.gz KQYGONPZZPOKPM-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001142556395 1029055700 /nfs/dbraw/zinc/05/57/00/1029055700.db2.gz KQYGONPZZPOKPM-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001142591639 1029122316 /nfs/dbraw/zinc/12/23/16/1029122316.db2.gz YRHZKHCTTNRITI-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)[C@H](c2ccccc2)C1 ZINC000842764306 1029573560 /nfs/dbraw/zinc/57/35/60/1029573560.db2.gz GMLZCDUXEQQBAN-UXHICEINSA-N 2 1 396.535 3.864 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)[C@H](c2ccccc2)C1 ZINC000842764306 1029573565 /nfs/dbraw/zinc/57/35/65/1029573565.db2.gz GMLZCDUXEQQBAN-UXHICEINSA-N 2 1 396.535 3.864 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090057 1029837503 /nfs/dbraw/zinc/83/75/03/1029837503.db2.gz HFYLZRWDURBDOD-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001143152305 1029870099 /nfs/dbraw/zinc/87/00/99/1029870099.db2.gz DEYXEEJKVJNSRY-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001222010107 1029930442 /nfs/dbraw/zinc/93/04/42/1029930442.db2.gz QFNDTIMSMQQPPZ-YADHBBJMSA-N 2 1 386.584 3.585 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364736 1029941936 /nfs/dbraw/zinc/94/19/36/1029941936.db2.gz OEBMYZFBWLRDCJ-QFIPXVFZSA-N 2 1 393.531 3.759 20 0 GHADMP Cc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc(C)c1-c1ccc(F)cc1F ZINC001222104846 1029966368 /nfs/dbraw/zinc/96/63/68/1029966368.db2.gz NRMMICLPBZDQBF-UHFFFAOYSA-N 2 1 385.502 3.776 20 0 GHADMP COc1ccc(Br)nc1C[NH+]1CCCC2(CCCC[NH2+]C2)CCC1 ZINC001222119623 1029970926 /nfs/dbraw/zinc/97/09/26/1029970926.db2.gz JYEGOHMSSFFNKM-UHFFFAOYSA-N 2 1 396.373 3.989 20 0 GHADMP COCCCOc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1OC ZINC001222166708 1029984773 /nfs/dbraw/zinc/98/47/73/1029984773.db2.gz CKTIYKOSLIZUIU-HSZRJFAPSA-N 2 1 390.568 3.856 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CC(c1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC001222215644 1030010730 /nfs/dbraw/zinc/01/07/30/1030010730.db2.gz IXUGNGPLONZISP-QHCPKHFHSA-N 2 1 392.543 3.826 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1c(Cl)cccc1I)CC2 ZINC001222216210 1030011226 /nfs/dbraw/zinc/01/12/26/1030011226.db2.gz ZTAUGLFYSHNXHI-UHFFFAOYSA-N 2 1 390.696 3.648 20 0 GHADMP COc1c(F)ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1F ZINC001143314950 1030022810 /nfs/dbraw/zinc/02/28/10/1030022810.db2.gz UUYIGFVJQHORDJ-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP COc1c(F)ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1F ZINC001143314950 1030022825 /nfs/dbraw/zinc/02/28/25/1030022825.db2.gz UUYIGFVJQHORDJ-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cc(C)c(OC(C)C)c(C)c1)CC[NH2+]CC2 ZINC001222230615 1030023781 /nfs/dbraw/zinc/02/37/81/1030023781.db2.gz BMGSASBHJDUSAS-HXUWFJFHSA-N 2 1 388.552 3.598 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(C)c(OC(C)C)c(C)c1)CC[NH2+]CC2 ZINC001222230615 1030023802 /nfs/dbraw/zinc/02/38/02/1030023802.db2.gz BMGSASBHJDUSAS-HXUWFJFHSA-N 2 1 388.552 3.598 20 0 GHADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222413734 1030116011 /nfs/dbraw/zinc/11/60/11/1030116011.db2.gz BVEOIXIBTSTEKP-UHFFFAOYSA-N 2 1 379.548 3.622 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3nonc3c2)cc1 ZINC001222582965 1030212338 /nfs/dbraw/zinc/21/23/38/1030212338.db2.gz IRMHFYNYYLBROH-HXUWFJFHSA-N 2 1 392.503 3.526 20 0 GHADMP COc1cc(O)cc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590103 1030216876 /nfs/dbraw/zinc/21/68/76/1030216876.db2.gz FCQHMFWKWMWGEQ-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP COc1cc(O)cc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222590103 1030216895 /nfs/dbraw/zinc/21/68/95/1030216895.db2.gz FCQHMFWKWMWGEQ-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP c1cc2cc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)ncc2[nH]1 ZINC001222591810 1030217646 /nfs/dbraw/zinc/21/76/46/1030217646.db2.gz YYDURJCVNJWTKT-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP FC(F)(F)[C@@H]1N(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC12CC[NH2+]CC2 ZINC001222642123 1030253848 /nfs/dbraw/zinc/25/38/48/1030253848.db2.gz FTKUNCTXRCJOSS-WOJBJXKFSA-N 2 1 395.513 3.905 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c1 ZINC001149670135 1030263440 /nfs/dbraw/zinc/26/34/40/1030263440.db2.gz BFRPUTKCQHDTQH-JWQCQUIFSA-N 2 1 391.559 3.732 20 0 GHADMP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCCC1 ZINC001223075543 1030425902 /nfs/dbraw/zinc/42/59/02/1030425902.db2.gz LVAXFUJBVBDWFJ-VXKWHMMOSA-N 2 1 392.632 3.983 20 0 GHADMP C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001218028815 1030731620 /nfs/dbraw/zinc/73/16/20/1030731620.db2.gz IRWFBPPDWQVIEM-DLVCFXQMSA-N 2 1 378.516 3.911 20 0 GHADMP COc1ccc(OC(C)C)c(COc2ccc(C[NH+]3CCC([NH3+])CC3)cc2)c1 ZINC001218297317 1030877646 /nfs/dbraw/zinc/87/76/46/1030877646.db2.gz WTMVPYZLFFXTJT-UHFFFAOYSA-N 2 1 384.520 3.985 20 0 GHADMP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC001206641257 1030908363 /nfs/dbraw/zinc/90/83/63/1030908363.db2.gz VGPGLMZHGBLPIZ-IBGZPJMESA-N 2 1 384.520 3.844 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC001206641257 1030908371 /nfs/dbraw/zinc/90/83/71/1030908371.db2.gz VGPGLMZHGBLPIZ-IBGZPJMESA-N 2 1 384.520 3.844 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001218441589 1030938273 /nfs/dbraw/zinc/93/82/73/1030938273.db2.gz LJFJBWJYBDUVTN-FCJDFRRUSA-N 2 1 394.515 3.539 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)c1 ZINC001218883389 1031131996 /nfs/dbraw/zinc/13/19/96/1031131996.db2.gz JICMNWRZKIUYLV-AUSIDOKSSA-N 2 1 396.535 3.542 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219027804 1031219625 /nfs/dbraw/zinc/21/96/25/1031219625.db2.gz CFBNFRWNKZFHEP-KRWDZBQOSA-N 2 1 399.922 3.673 20 0 GHADMP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001219046946 1031230635 /nfs/dbraw/zinc/23/06/35/1031230635.db2.gz MUXBCDIBZVPBQR-ZWDAVXSWSA-N 2 1 395.547 3.733 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001225272317 1031328951 /nfs/dbraw/zinc/32/89/51/1031328951.db2.gz IAVJOTWZWGZLBC-REWPJTCUSA-N 2 1 394.563 3.514 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[NH+](C)C)cc1 ZINC001225272317 1031328965 /nfs/dbraw/zinc/32/89/65/1031328965.db2.gz IAVJOTWZWGZLBC-REWPJTCUSA-N 2 1 394.563 3.514 20 0 GHADMP C[C@H]([NH3+])c1ncc(C(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)s1 ZINC001219489188 1031455235 /nfs/dbraw/zinc/45/52/35/1031455235.db2.gz KTWPPVRYUDUOPE-KSSFIOAISA-N 2 1 384.549 3.758 20 0 GHADMP Cc1ccc2c(c1)[C@@H](NC(=O)CC[N@H+](C)Cc1ccccc1)CC21CC[NH2+]CC1 ZINC001219753439 1031593897 /nfs/dbraw/zinc/59/38/97/1031593897.db2.gz HYVFVXXUZNQQJO-QHCPKHFHSA-N 2 1 391.559 3.699 20 0 GHADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001219941418 1031708240 /nfs/dbraw/zinc/70/82/40/1031708240.db2.gz XSVXHMXKNMPALJ-RJQXTFCISA-N 2 1 395.591 3.559 20 0 GHADMP Cc1cccc2c1C1(C[C@@H]2CC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC001220062153 1031760974 /nfs/dbraw/zinc/76/09/74/1031760974.db2.gz NYQGKRQQUSUEAK-SFTDATJTSA-N 2 1 397.607 3.874 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220504385 1031969701 /nfs/dbraw/zinc/96/97/01/1031969701.db2.gz ZZTNFDFRIIDLSE-AHRSYUTCSA-N 2 1 387.474 3.664 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220504385 1031969714 /nfs/dbraw/zinc/96/97/14/1031969714.db2.gz ZZTNFDFRIIDLSE-AHRSYUTCSA-N 2 1 387.474 3.664 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC001220634466 1032034845 /nfs/dbraw/zinc/03/48/45/1032034845.db2.gz WWGXZEGWZCXCLD-KNQAVFIVSA-N 2 1 388.600 3.519 20 0 GHADMP COc1c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc(C(C)(C)C)cc1C(C)(C)C ZINC001205228013 1033317036 /nfs/dbraw/zinc/31/70/36/1033317036.db2.gz ABIAUXMXOFLQQN-HSZRJFAPSA-N 2 1 376.585 3.966 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205288626 1033342929 /nfs/dbraw/zinc/34/29/29/1033342929.db2.gz MHMBJUAUZPAYOR-QHCPKHFHSA-N 2 1 382.504 3.756 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(=O)C1CC1 ZINC001205385493 1033388056 /nfs/dbraw/zinc/38/80/56/1033388056.db2.gz ICXWUNCTLYWYAO-QFBILLFUSA-N 2 1 386.536 3.753 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849297 1069790328 /nfs/dbraw/zinc/79/03/28/1069790328.db2.gz HNKDMZNDYYXRDZ-AABGKKOBSA-N 2 1 379.589 3.830 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001205457052 1033420508 /nfs/dbraw/zinc/42/05/08/1033420508.db2.gz OYFVAJFDAJHTSK-NZQKXSOJSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2I)CC[C@@H]1C[NH3+] ZINC001205638585 1033505214 /nfs/dbraw/zinc/50/52/14/1033505214.db2.gz PNCIMZHCLBBRGI-NWDGAFQWSA-N 2 1 392.712 3.751 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C)c(Br)c1 ZINC001205677697 1033526057 /nfs/dbraw/zinc/52/60/57/1033526057.db2.gz GBDUXEZHRZTYCV-SFHVURJKSA-N 2 1 382.390 3.605 20 0 GHADMP CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@H]3C[C@@H]4CC(=O)C[C@H]3[N@H+]4C)c2C1 ZINC001229647127 1033613635 /nfs/dbraw/zinc/61/36/35/1033613635.db2.gz DOMJYHUNKYKSKL-PDXXHEQOSA-N 2 1 384.564 3.849 20 0 GHADMP COCCOc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC001206024231 1033691902 /nfs/dbraw/zinc/69/19/02/1033691902.db2.gz YJSHUUSCQTUGDI-UHFFFAOYSA-N 2 1 384.520 3.793 20 0 GHADMP C[C@H]1[C@@H]([NH3+])CCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001157744914 1033750540 /nfs/dbraw/zinc/75/05/40/1033750540.db2.gz HPWXGCCDENCTMN-YOEHRIQHSA-N 2 1 381.549 3.736 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(I)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206598828 1033919361 /nfs/dbraw/zinc/91/93/61/1033919361.db2.gz MWHPUVDWWVREJU-CQSZACIVSA-N 2 1 390.284 3.783 20 0 GHADMP COC(=O)N(C)CC[N@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001206715747 1033955616 /nfs/dbraw/zinc/95/56/16/1033955616.db2.gz WTIYJLMZZZJXMT-QFIPXVFZSA-N 2 1 375.557 3.555 20 0 GHADMP COC(=O)N(C)CC[N@@H+](C)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001206715747 1033955617 /nfs/dbraw/zinc/95/56/17/1033955617.db2.gz WTIYJLMZZZJXMT-QFIPXVFZSA-N 2 1 375.557 3.555 20 0 GHADMP COC(=O)N(C)CC[NH+](C)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001206715747 1033955623 /nfs/dbraw/zinc/95/56/23/1033955623.db2.gz WTIYJLMZZZJXMT-QFIPXVFZSA-N 2 1 375.557 3.555 20 0 GHADMP COC(=O)N(C)CC[NH+](C)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001206715747 1033955630 /nfs/dbraw/zinc/95/56/30/1033955630.db2.gz WTIYJLMZZZJXMT-QFIPXVFZSA-N 2 1 375.557 3.555 20 0 GHADMP Cc1ncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)s1 ZINC001207060059 1034075399 /nfs/dbraw/zinc/07/53/99/1034075399.db2.gz HOJKDLAYJSQYLP-INIZCTEOSA-N 2 1 377.579 3.769 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001158626920 1034207653 /nfs/dbraw/zinc/20/76/53/1034207653.db2.gz JWBYQILVHQUVOG-MRXNPFEDSA-N 2 1 381.549 3.974 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249189 1034214141 /nfs/dbraw/zinc/21/41/41/1034214141.db2.gz VIKWDTFJLCOEMM-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249189 1034214156 /nfs/dbraw/zinc/21/41/56/1034214156.db2.gz VIKWDTFJLCOEMM-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249189 1034214162 /nfs/dbraw/zinc/21/41/62/1034214162.db2.gz VIKWDTFJLCOEMM-AABGKKOBSA-N 2 1 379.589 3.972 20 0 GHADMP CC1=CC[C@H](CC[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)C1(C)C ZINC001207271639 1034225763 /nfs/dbraw/zinc/22/57/63/1034225763.db2.gz GQCLWDPADVCROB-LJQANCHMSA-N 2 1 386.584 3.672 20 0 GHADMP CC1=CC[C@H](CC[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)C1(C)C ZINC001207271639 1034225765 /nfs/dbraw/zinc/22/57/65/1034225765.db2.gz GQCLWDPADVCROB-LJQANCHMSA-N 2 1 386.584 3.672 20 0 GHADMP CC1=CC[C@H](CC[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)C1(C)C ZINC001207271639 1034225774 /nfs/dbraw/zinc/22/57/74/1034225774.db2.gz GQCLWDPADVCROB-LJQANCHMSA-N 2 1 386.584 3.672 20 0 GHADMP FC1(F)CCC(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001207347385 1034294510 /nfs/dbraw/zinc/29/45/10/1034294510.db2.gz RLAYOOITENXFMG-UHFFFAOYSA-N 2 1 393.522 3.822 20 0 GHADMP COc1cccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001207427818 1034363369 /nfs/dbraw/zinc/36/33/69/1034363369.db2.gz GSQOGSZDVBFOEH-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP COc1cccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001207427818 1034363385 /nfs/dbraw/zinc/36/33/85/1034363385.db2.gz GSQOGSZDVBFOEH-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP COc1cccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001207427818 1034363397 /nfs/dbraw/zinc/36/33/97/1034363397.db2.gz GSQOGSZDVBFOEH-NOZRDPDXSA-N 2 1 398.591 3.698 20 0 GHADMP CCCCC[C@H]([NH2+]C)C(=O)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001158977068 1034367200 /nfs/dbraw/zinc/36/72/00/1034367200.db2.gz RQGSWMISJMHMJP-IBGZPJMESA-N 2 1 392.613 3.577 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCc4cccc(C)c4)CC3)C2)c1 ZINC001207536975 1034441340 /nfs/dbraw/zinc/44/13/40/1034441340.db2.gz KVJWYOCTTVQCRE-UHFFFAOYSA-N 2 1 394.559 3.913 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCc4cccc(C)c4)CC3)C2)c1 ZINC001207536975 1034441345 /nfs/dbraw/zinc/44/13/45/1034441345.db2.gz KVJWYOCTTVQCRE-UHFFFAOYSA-N 2 1 394.559 3.913 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635353 1034501787 /nfs/dbraw/zinc/50/17/87/1034501787.db2.gz JEQLUBGELCKBIE-UXHICEINSA-N 2 1 396.616 3.693 20 0 GHADMP FC1(F)CCN(CC2CCSCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001207727651 1034545333 /nfs/dbraw/zinc/54/53/33/1034545333.db2.gz IKBZNEAAMRPBQS-LJQANCHMSA-N 2 1 381.536 3.758 20 0 GHADMP FC1(F)CC[N@H+](CC2CCSCC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001207727651 1034545348 /nfs/dbraw/zinc/54/53/48/1034545348.db2.gz IKBZNEAAMRPBQS-LJQANCHMSA-N 2 1 381.536 3.758 20 0 GHADMP FC1(F)CC[N@@H+](CC2CCSCC2)C[C@@]12CC[NH+](Cc1ccccn1)C2 ZINC001207727651 1034545351 /nfs/dbraw/zinc/54/53/51/1034545351.db2.gz IKBZNEAAMRPBQS-LJQANCHMSA-N 2 1 381.536 3.758 20 0 GHADMP FC1(F)CC[NH+](CC2CCSCC2)C[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC001207727651 1034545358 /nfs/dbraw/zinc/54/53/58/1034545358.db2.gz IKBZNEAAMRPBQS-LJQANCHMSA-N 2 1 381.536 3.758 20 0 GHADMP FC1(F)CC[NH+](CC2CCSCC2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001207727651 1034545370 /nfs/dbraw/zinc/54/53/70/1034545370.db2.gz IKBZNEAAMRPBQS-LJQANCHMSA-N 2 1 381.536 3.758 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(-c4cccs4)cc3)CC[C@@H]2C1 ZINC001231430520 1034577691 /nfs/dbraw/zinc/57/76/91/1034577691.db2.gz PLRREBDCADSDFB-NHCUHLMSSA-N 2 1 386.561 3.584 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(-c4cccs4)cc3)CC[C@@H]2C1 ZINC001231430520 1034577703 /nfs/dbraw/zinc/57/77/03/1034577703.db2.gz PLRREBDCADSDFB-NHCUHLMSSA-N 2 1 386.561 3.584 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)CC[C@@H]2C1 ZINC001231430520 1034577714 /nfs/dbraw/zinc/57/77/14/1034577714.db2.gz PLRREBDCADSDFB-NHCUHLMSSA-N 2 1 386.561 3.584 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCc1c(F)cccc1F)CC2 ZINC001208115325 1034741295 /nfs/dbraw/zinc/74/12/95/1034741295.db2.gz MHFRRMGXFVQSIE-KRWDZBQOSA-N 2 1 390.474 3.856 20 0 GHADMP CS[C@H](C)CC[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001208151533 1034756988 /nfs/dbraw/zinc/75/69/88/1034756988.db2.gz WNXMXAVBQPNVQK-MRXNPFEDSA-N 2 1 385.618 3.582 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)C1 ZINC001208163269 1034766492 /nfs/dbraw/zinc/76/64/92/1034766492.db2.gz UDQJXWXFEFAUGA-HKUYNNGSSA-N 2 1 376.541 3.821 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC[C@H](C)c3ccc(C)o3)CC2)C1 ZINC001208163269 1034766504 /nfs/dbraw/zinc/76/65/04/1034766504.db2.gz UDQJXWXFEFAUGA-HKUYNNGSSA-N 2 1 376.541 3.821 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231667158 1034822236 /nfs/dbraw/zinc/82/22/36/1034822236.db2.gz YZLCKLLPDCPTFZ-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001461920071 1069883700 /nfs/dbraw/zinc/88/37/00/1069883700.db2.gz QGVKKIHGDCIFKA-WVVQBRDUSA-N 2 1 391.600 3.828 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001461920071 1069883726 /nfs/dbraw/zinc/88/37/26/1069883726.db2.gz QGVKKIHGDCIFKA-WVVQBRDUSA-N 2 1 391.600 3.828 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001461920071 1069883747 /nfs/dbraw/zinc/88/37/47/1069883747.db2.gz QGVKKIHGDCIFKA-WVVQBRDUSA-N 2 1 391.600 3.828 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001206673668 1034856590 /nfs/dbraw/zinc/85/65/90/1034856590.db2.gz KCGNYOFKWRLERM-HXUWFJFHSA-N 2 1 382.548 3.981 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001206673668 1034856601 /nfs/dbraw/zinc/85/66/01/1034856601.db2.gz KCGNYOFKWRLERM-HXUWFJFHSA-N 2 1 382.548 3.981 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001208605514 1034952315 /nfs/dbraw/zinc/95/23/15/1034952315.db2.gz BCNGPSMQFLRABD-SFHVURJKSA-N 2 1 379.589 3.687 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001208634982 1034963502 /nfs/dbraw/zinc/96/35/02/1034963502.db2.gz TZVHOJYCBWBWHT-ODAXIHTASA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001208634982 1034963504 /nfs/dbraw/zinc/96/35/04/1034963504.db2.gz TZVHOJYCBWBWHT-ODAXIHTASA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001208634982 1034963511 /nfs/dbraw/zinc/96/35/11/1034963511.db2.gz TZVHOJYCBWBWHT-ODAXIHTASA-N 2 1 384.564 3.810 20 0 GHADMP C[C@@H](C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1)OCc1ccccc1 ZINC001208699151 1034984649 /nfs/dbraw/zinc/98/46/49/1034984649.db2.gz UUECNUGIYNXYJN-UNMCSNQZSA-N 2 1 398.547 3.940 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(I)s2)CC1 ZINC001461936132 1069900928 /nfs/dbraw/zinc/90/09/28/1069900928.db2.gz OWGZADFZYMIFBM-UHFFFAOYSA-N 2 1 392.350 3.905 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(I)s2)CC1 ZINC001461936132 1069900931 /nfs/dbraw/zinc/90/09/31/1069900931.db2.gz OWGZADFZYMIFBM-UHFFFAOYSA-N 2 1 392.350 3.905 20 0 GHADMP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001160695159 1035038606 /nfs/dbraw/zinc/03/86/06/1035038606.db2.gz IYCNJDPZQFBNEP-YLJYHZDGSA-N 2 1 377.960 3.715 20 0 GHADMP C[N@H+](C1CCOCC1)C1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208825193 1035043169 /nfs/dbraw/zinc/04/31/69/1035043169.db2.gz ATCXRZBVSFEFIP-UHFFFAOYSA-N 2 1 395.385 3.957 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCCc2cccc(Br)c2)CC1 ZINC001208825193 1035043180 /nfs/dbraw/zinc/04/31/80/1035043180.db2.gz ATCXRZBVSFEFIP-UHFFFAOYSA-N 2 1 395.385 3.957 20 0 GHADMP FC(F)(F)c1ccccc1CCC[N@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001208828859 1035044850 /nfs/dbraw/zinc/04/48/50/1035044850.db2.gz ORKVEJVXPQNTGR-UHFFFAOYSA-N 2 1 390.409 3.929 20 0 GHADMP COC(=O)c1ccc(-c2ccc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)[nH+]c2C)cc1 ZINC001160745621 1035052925 /nfs/dbraw/zinc/05/29/25/1035052925.db2.gz YEWZJQNWGLYRJF-IRXDYDNUSA-N 2 1 393.409 3.796 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208931962 1035094610 /nfs/dbraw/zinc/09/46/10/1035094610.db2.gz MWCATWXETFKONV-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208931962 1035094615 /nfs/dbraw/zinc/09/46/15/1035094615.db2.gz MWCATWXETFKONV-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208931962 1035094617 /nfs/dbraw/zinc/09/46/17/1035094617.db2.gz MWCATWXETFKONV-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208931962 1035094622 /nfs/dbraw/zinc/09/46/22/1035094622.db2.gz MWCATWXETFKONV-FSSWDIPSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208930977 1035095974 /nfs/dbraw/zinc/09/59/74/1035095974.db2.gz GKYASONNWIYNKC-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208930977 1035095979 /nfs/dbraw/zinc/09/59/79/1035095979.db2.gz GKYASONNWIYNKC-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208930977 1035095988 /nfs/dbraw/zinc/09/59/88/1035095988.db2.gz GKYASONNWIYNKC-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939479 1035107808 /nfs/dbraw/zinc/10/78/08/1035107808.db2.gz BWGXBPRGJGXHOQ-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939479 1035107812 /nfs/dbraw/zinc/10/78/12/1035107812.db2.gz BWGXBPRGJGXHOQ-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939479 1035107818 /nfs/dbraw/zinc/10/78/18/1035107818.db2.gz BWGXBPRGJGXHOQ-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)ncn1 ZINC001208939479 1035107824 /nfs/dbraw/zinc/10/78/24/1035107824.db2.gz BWGXBPRGJGXHOQ-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940168 1035108355 /nfs/dbraw/zinc/10/83/55/1035108355.db2.gz APYAXLFWBWQFMK-NRFANRHFSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940541 1035110259 /nfs/dbraw/zinc/11/02/59/1035110259.db2.gz DKAUHBGUNYZJIF-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940541 1035110265 /nfs/dbraw/zinc/11/02/65/1035110265.db2.gz DKAUHBGUNYZJIF-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940541 1035110268 /nfs/dbraw/zinc/11/02/68/1035110268.db2.gz DKAUHBGUNYZJIF-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208943788 1035112796 /nfs/dbraw/zinc/11/27/96/1035112796.db2.gz USPGVCOVIFONKG-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208943788 1035112802 /nfs/dbraw/zinc/11/28/02/1035112802.db2.gz USPGVCOVIFONKG-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208943788 1035112805 /nfs/dbraw/zinc/11/28/05/1035112805.db2.gz USPGVCOVIFONKG-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP O=C1Cc2ccccc2N1C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949199 1035121054 /nfs/dbraw/zinc/12/10/54/1035121054.db2.gz IUWHIMSQTUVMPU-OAQYLSRUSA-N 2 1 389.543 3.562 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)c1 ZINC001232145030 1035122542 /nfs/dbraw/zinc/12/25/42/1035122542.db2.gz SBUUUHUGWUFKEB-UHFFFAOYSA-N 2 1 391.531 3.720 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c1 ZINC001232146549 1035124278 /nfs/dbraw/zinc/12/42/78/1035124278.db2.gz TVRJYMSMALGPNT-IHPCNDPISA-N 2 1 376.516 3.830 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)c1 ZINC001232146940 1035125203 /nfs/dbraw/zinc/12/52/03/1035125203.db2.gz AWVFBGOYWUXLNA-ZEQRLZLVSA-N 2 1 397.538 3.895 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208953019 1035125684 /nfs/dbraw/zinc/12/56/84/1035125684.db2.gz OCTQYBCFPGRESM-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208953019 1035125687 /nfs/dbraw/zinc/12/56/87/1035125687.db2.gz OCTQYBCFPGRESM-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208953019 1035125690 /nfs/dbraw/zinc/12/56/90/1035125690.db2.gz OCTQYBCFPGRESM-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001161054489 1035127194 /nfs/dbraw/zinc/12/71/94/1035127194.db2.gz AYFLTGJZKUXUOE-SQVLJLFZSA-N 2 1 383.580 3.666 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149648 1035127314 /nfs/dbraw/zinc/12/73/14/1035127314.db2.gz NPOGFUVTPIHHMH-GOTSBHOMSA-N 2 1 381.539 3.841 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccnc4c(F)cccc34)C2)C1 ZINC001232207087 1035162081 /nfs/dbraw/zinc/16/20/81/1035162081.db2.gz WQHQJMDNQXSWFO-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccnc4c(F)cccc34)C2)C1 ZINC001232207087 1035162087 /nfs/dbraw/zinc/16/20/87/1035162087.db2.gz WQHQJMDNQXSWFO-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccnc4c(F)cccc34)C2)C1 ZINC001232207087 1035162091 /nfs/dbraw/zinc/16/20/91/1035162091.db2.gz WQHQJMDNQXSWFO-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccnc4c(F)cccc34)C2)C1 ZINC001232207087 1035162097 /nfs/dbraw/zinc/16/20/97/1035162097.db2.gz WQHQJMDNQXSWFO-AUSIDOKSSA-N 2 1 383.511 3.554 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCCCCc3ccccc3)CC[C@@H]21 ZINC001209230856 1035213641 /nfs/dbraw/zinc/21/36/41/1035213641.db2.gz WFTNQVFUYZSRIX-SGNDLWITSA-N 2 1 395.595 3.864 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCCCCc3ccccc3)CC[C@@H]21 ZINC001209230856 1035213644 /nfs/dbraw/zinc/21/36/44/1035213644.db2.gz WFTNQVFUYZSRIX-SGNDLWITSA-N 2 1 395.595 3.864 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCCCCc3ccccc3)CC[C@@H]21 ZINC001209230856 1035213647 /nfs/dbraw/zinc/21/36/47/1035213647.db2.gz WFTNQVFUYZSRIX-SGNDLWITSA-N 2 1 395.595 3.864 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C2)CC1 ZINC001209318560 1035240622 /nfs/dbraw/zinc/24/06/22/1035240622.db2.gz QWNGLVBRDRRURY-NRFANRHFSA-N 2 1 399.579 3.766 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](CC1C[C@@H](C)O[C@H](C)C1)CC2 ZINC001209378962 1035262023 /nfs/dbraw/zinc/26/20/23/1035262023.db2.gz GSUSQKHZKKHGMQ-IAGOWNOFSA-N 2 1 375.557 3.925 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC001161593435 1035267731 /nfs/dbraw/zinc/26/77/31/1035267731.db2.gz BKIVVTLFPXYWKL-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP c1cc2ccc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3cccnc3)C4)cc2[nH]1 ZINC001209511005 1035298509 /nfs/dbraw/zinc/29/85/09/1035298509.db2.gz KOMPGLUSRRZDHQ-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP Cn1nc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c2ccccc21 ZINC001209580794 1035316726 /nfs/dbraw/zinc/31/67/26/1035316726.db2.gz VYIFWADHULNDNM-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP Cn1nc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2ccccn2)c2ccccc21 ZINC001209581035 1035317209 /nfs/dbraw/zinc/31/72/09/1035317209.db2.gz AUBLXSNCVLZRRJ-RZFNWQHOSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2ccccn2)c2ccccc21 ZINC001209581035 1035317211 /nfs/dbraw/zinc/31/72/11/1035317211.db2.gz AUBLXSNCVLZRRJ-RZFNWQHOSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2ccccn2)c2ccccc21 ZINC001209581035 1035317212 /nfs/dbraw/zinc/31/72/12/1035317212.db2.gz AUBLXSNCVLZRRJ-RZFNWQHOSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2ccccn2)c2ccccc21 ZINC001209581035 1035317213 /nfs/dbraw/zinc/31/72/13/1035317213.db2.gz AUBLXSNCVLZRRJ-RZFNWQHOSA-N 2 1 389.547 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1 ZINC001248333249 1035760047 /nfs/dbraw/zinc/76/00/47/1035760047.db2.gz BLDIATJPCYRVQZ-FQEVSTJZSA-N 2 1 375.476 3.505 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@H]2c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)cc1 ZINC001248333249 1035760063 /nfs/dbraw/zinc/76/00/63/1035760063.db2.gz BLDIATJPCYRVQZ-FQEVSTJZSA-N 2 1 375.476 3.505 20 0 GHADMP C[NH+](C)CCCOc1ccc(Nc2cccc(F)c2N2CC[NH+](C)CC2)cc1 ZINC001248421203 1035837527 /nfs/dbraw/zinc/83/75/27/1035837527.db2.gz UAIYWFOKWXPHGV-UHFFFAOYSA-N 2 1 386.515 3.652 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464330 1035891606 /nfs/dbraw/zinc/89/16/06/1035891606.db2.gz OFGKBLDUQPYEFI-OAQYLSRUSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464330 1035891622 /nfs/dbraw/zinc/89/16/22/1035891622.db2.gz OFGKBLDUQPYEFI-OAQYLSRUSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1)CC1CC1 ZINC001248464330 1035891637 /nfs/dbraw/zinc/89/16/37/1035891637.db2.gz OFGKBLDUQPYEFI-OAQYLSRUSA-N 2 1 392.632 3.650 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1CC)c1ccc(Cl)cc1 ZINC001248622411 1035997728 /nfs/dbraw/zinc/99/77/28/1035997728.db2.gz SPOWZBAHTKQTDJ-RBUKOAKNSA-N 2 1 380.964 3.506 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1 ZINC001248622411 1035997731 /nfs/dbraw/zinc/99/77/31/1035997731.db2.gz SPOWZBAHTKQTDJ-RBUKOAKNSA-N 2 1 380.964 3.506 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC001248622411 1035997738 /nfs/dbraw/zinc/99/77/38/1035997738.db2.gz SPOWZBAHTKQTDJ-RBUKOAKNSA-N 2 1 380.964 3.506 20 0 GHADMP Cn1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc2)n1 ZINC001248764419 1036122466 /nfs/dbraw/zinc/12/24/66/1036122466.db2.gz UDVOXBBOPXTNSZ-BGYRXZFFSA-N 2 1 378.545 3.712 20 0 GHADMP Cn1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)cc2)n1 ZINC001248764419 1036122471 /nfs/dbraw/zinc/12/24/71/1036122471.db2.gz UDVOXBBOPXTNSZ-BGYRXZFFSA-N 2 1 378.545 3.712 20 0 GHADMP Cn1ccc(-c2ccc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)cc2)n1 ZINC001248764419 1036122474 /nfs/dbraw/zinc/12/24/74/1036122474.db2.gz UDVOXBBOPXTNSZ-BGYRXZFFSA-N 2 1 378.545 3.712 20 0 GHADMP Cn1ccc(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)cc2)n1 ZINC001248764419 1036122490 /nfs/dbraw/zinc/12/24/90/1036122490.db2.gz UDVOXBBOPXTNSZ-BGYRXZFFSA-N 2 1 378.545 3.712 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2cc(Cl)cc(Br)c2)no1 ZINC001248895434 1036226406 /nfs/dbraw/zinc/22/64/06/1036226406.db2.gz DWEDKDORDPUQJA-ZDUSSCGKSA-N 2 1 385.693 3.542 20 0 GHADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001278378910 1036443329 /nfs/dbraw/zinc/44/33/29/1036443329.db2.gz RIHPYLTWLHDKAZ-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001278378910 1036443339 /nfs/dbraw/zinc/44/33/39/1036443339.db2.gz RIHPYLTWLHDKAZ-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC(Cn3cncn3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462131459 1070021618 /nfs/dbraw/zinc/02/16/18/1070021618.db2.gz XZONTOMCFSCEIT-DEOSSOPVSA-N 2 1 395.595 3.929 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC001245997932 1037118856 /nfs/dbraw/zinc/11/88/56/1037118856.db2.gz YYRQCZZHFNZNRP-KTTLUUMZSA-N 2 1 389.273 3.853 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001246014174 1037134333 /nfs/dbraw/zinc/13/43/33/1037134333.db2.gz MVLUQTDAIYCANF-GOSISDBHSA-N 2 1 393.531 3.526 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001246028426 1037143843 /nfs/dbraw/zinc/14/38/43/1037143843.db2.gz RYIWUBWCHDYTDS-HOYKHHGWSA-N 2 1 393.531 3.669 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246044490 1037157933 /nfs/dbraw/zinc/15/79/33/1037157933.db2.gz GNURSDALBLXUPK-IFMALSPDSA-N 2 1 388.596 3.717 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001246045324 1037159956 /nfs/dbraw/zinc/15/99/56/1037159956.db2.gz TXMQBMVZWRBGAP-XUVXKRRUSA-N 2 1 380.866 3.686 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001246045324 1037159969 /nfs/dbraw/zinc/15/99/69/1037159969.db2.gz TXMQBMVZWRBGAP-XUVXKRRUSA-N 2 1 380.866 3.686 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001246051993 1037161986 /nfs/dbraw/zinc/16/19/86/1037161986.db2.gz KXOKHWHPBARCRD-UGKGYDQZSA-N 2 1 382.548 3.824 20 0 GHADMP COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246064674 1037178024 /nfs/dbraw/zinc/17/80/24/1037178024.db2.gz FZAYVMOFWXITMY-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246065735 1037178434 /nfs/dbraw/zinc/17/84/34/1037178434.db2.gz PZUIKYCSJXTURM-ZWKOTPCHSA-N 2 1 389.273 3.634 20 0 GHADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246065735 1037178450 /nfs/dbraw/zinc/17/84/50/1037178450.db2.gz PZUIKYCSJXTURM-ZWKOTPCHSA-N 2 1 389.273 3.634 20 0 GHADMP COc1cccc(OC[C@@H](O)C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246067900 1037179772 /nfs/dbraw/zinc/17/97/72/1037179772.db2.gz QBQJHUQIXLFXDZ-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC001246069728 1037182355 /nfs/dbraw/zinc/18/23/55/1037182355.db2.gz ZFZAPHXIXBTBFU-ABHNRTSZSA-N 2 1 381.520 3.523 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)COc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246071318 1037185712 /nfs/dbraw/zinc/18/57/12/1037185712.db2.gz RXSHITOXLIITPD-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246069938 1037185748 /nfs/dbraw/zinc/18/57/48/1037185748.db2.gz ZOIUAZPAHIOPFZ-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3NC2=O)CCN1 ZINC001246324771 1037296575 /nfs/dbraw/zinc/29/65/75/1037296575.db2.gz HFPBAJGOYSATBI-FFZOFVMBSA-N 2 1 387.886 3.734 20 0 GHADMP CC(C)[C@@H]1C[C@H](n2cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc32)CC[NH2+]1 ZINC001246348588 1037307428 /nfs/dbraw/zinc/30/74/28/1037307428.db2.gz CVXZYVGVTKPBFI-HOJAQTOUSA-N 2 1 385.552 3.802 20 0 GHADMP C[C@H]1CC([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H](C)N1Cc1ccccc1 ZINC001246347297 1037308820 /nfs/dbraw/zinc/30/88/20/1037308820.db2.gz OXZXSVFQJUNNAQ-SFTDATJTSA-N 2 1 392.591 3.627 20 0 GHADMP C[C@H]1CC(NCc2cccc(N3CC[NH2+]CC3)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246347297 1037308835 /nfs/dbraw/zinc/30/88/35/1037308835.db2.gz OXZXSVFQJUNNAQ-SFTDATJTSA-N 2 1 392.591 3.627 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246357019 1037315368 /nfs/dbraw/zinc/31/53/68/1037315368.db2.gz SEGIVPZWIFDJKV-KSEOMHKRSA-N 2 1 384.495 3.864 20 0 GHADMP C[NH2+]C1CCC([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC001246363405 1037322143 /nfs/dbraw/zinc/32/21/43/1037322143.db2.gz WHEQPCCAECSKMA-UHFFFAOYSA-N 2 1 394.401 3.781 20 0 GHADMP COc1ccc(CC2(N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246374595 1037330800 /nfs/dbraw/zinc/33/08/00/1037330800.db2.gz FQDQDFPHDSYIEX-NZQKXSOJSA-N 2 1 393.575 3.613 20 0 GHADMP C[C@@H]1C[C@@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246380830 1037339607 /nfs/dbraw/zinc/33/96/07/1037339607.db2.gz KSFRFMSLECFCSV-DENIHFKCSA-N 2 1 381.539 3.743 20 0 GHADMP C[C@H]1C[C@H](NC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246392204 1037352760 /nfs/dbraw/zinc/35/27/60/1037352760.db2.gz RALCQIZAUGFJKT-CVDCTZTESA-N 2 1 381.539 3.743 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)C[NH2+]1 ZINC001246410645 1037365534 /nfs/dbraw/zinc/36/55/34/1037365534.db2.gz ILVZVOTYNDAUTN-CRAIPNDOSA-N 2 1 381.358 3.519 20 0 GHADMP CCCN1CCC([NH2+]CC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC1 ZINC001246421903 1037379149 /nfs/dbraw/zinc/37/91/49/1037379149.db2.gz GGMMYHDIHIEMHG-UHFFFAOYSA-N 2 1 383.502 3.791 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)CO2 ZINC001246421399 1037379555 /nfs/dbraw/zinc/37/95/55/1037379555.db2.gz RJYZHNYDSDMKEJ-ZWDAVXSWSA-N 2 1 384.495 3.777 20 0 GHADMP COc1ccccc1CC1(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246424653 1037383192 /nfs/dbraw/zinc/38/31/92/1037383192.db2.gz HEILAZUWJGJWRT-OFNKIYASSA-N 2 1 393.575 3.613 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246429890 1037389490 /nfs/dbraw/zinc/38/94/90/1037389490.db2.gz JNHPRQJVEQJLQB-PBHICJAKSA-N 2 1 384.442 3.606 20 0 GHADMP FC(F)(F)c1cccc(C2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246430867 1037392256 /nfs/dbraw/zinc/39/22/56/1037392256.db2.gz PZETZACSOSYIOV-RTBURBONSA-N 2 1 381.486 3.796 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC[NH2+]1 ZINC001246468319 1037420654 /nfs/dbraw/zinc/42/06/54/1037420654.db2.gz WYYUMKSKGVSGEW-ZWKOTPCHSA-N 2 1 381.499 3.936 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246479073 1037426273 /nfs/dbraw/zinc/42/62/73/1037426273.db2.gz RDXIZBRCIQOMOQ-PMACEKPBSA-N 2 1 386.561 3.920 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246489056 1037434683 /nfs/dbraw/zinc/43/46/83/1037434683.db2.gz KCCACTVSJGJPRO-BQJUDKOJSA-N 2 1 391.625 3.843 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N4CC5(C[NH2+]C5)C4)C[C@@H]23)cc1 ZINC001246616609 1037506977 /nfs/dbraw/zinc/50/69/77/1037506977.db2.gz YOMNGCFAAOHIQR-DGWZTRNLSA-N 2 1 387.571 3.657 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246624238 1037511650 /nfs/dbraw/zinc/51/16/50/1037511650.db2.gz OLHVKTTZOBZUFJ-FGCOXFRFSA-N 2 1 375.560 3.729 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001246676367 1037543920 /nfs/dbraw/zinc/54/39/20/1037543920.db2.gz ZKVTXVQHSDLGFG-HKTJVKLFSA-N 2 1 375.560 3.729 20 0 GHADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)ccc2c1 ZINC001246687132 1037548838 /nfs/dbraw/zinc/54/88/38/1037548838.db2.gz VIMDOQGMQYDLFN-ULOHNXOTSA-N 2 1 380.532 3.622 20 0 GHADMP CC[C@H]1CC([NH+]2CCN(c3ccc(Br)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246696357 1037553931 /nfs/dbraw/zinc/55/39/31/1037553931.db2.gz LSIDDFCUGCAUES-IRXDYDNUSA-N 2 1 380.374 3.880 20 0 GHADMP CC[C@H]1CC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246709939 1037560613 /nfs/dbraw/zinc/56/06/13/1037560613.db2.gz QFQHXTYKHUWUND-IHFIDZABSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@H]1CC([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246709939 1037560623 /nfs/dbraw/zinc/56/06/23/1037560623.db2.gz QFQHXTYKHUWUND-IHFIDZABSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246709940 1037561364 /nfs/dbraw/zinc/56/13/64/1037561364.db2.gz QFQHXTYKHUWUND-IUHILOBXSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C[C@H](CC)[NH2+]1 ZINC001246709940 1037561377 /nfs/dbraw/zinc/56/13/77/1037561377.db2.gz QFQHXTYKHUWUND-IUHILOBXSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@@H](CC)[NH2+]1 ZINC001246722393 1037572249 /nfs/dbraw/zinc/57/22/49/1037572249.db2.gz NQFXQODGTXPDIA-WOIUINJBSA-N 2 1 389.609 3.985 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@H+]([C@H]1CCC[NH2+]CC1)C[C@H]2c1ccccc1 ZINC001246724538 1037574646 /nfs/dbraw/zinc/57/46/46/1037574646.db2.gz XGZKGDDJJQOUNX-IEIRFRATSA-N 2 1 395.572 3.713 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CCC[C@@]4(CC[NH2+]C4)C2)C3)c1 ZINC001246728604 1037578294 /nfs/dbraw/zinc/57/82/94/1037578294.db2.gz YYRUAEMFPMMUFZ-QPXUXIHVSA-N 2 1 383.580 3.931 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)N1c1ccccc1 ZINC001246730453 1037581237 /nfs/dbraw/zinc/58/12/37/1037581237.db2.gz RUHZSMYQJMLLMK-KAOXLYBCSA-N 2 1 375.516 3.750 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)N1c1ccccc1 ZINC001246730453 1037581240 /nfs/dbraw/zinc/58/12/40/1037581240.db2.gz RUHZSMYQJMLLMK-KAOXLYBCSA-N 2 1 375.516 3.750 20 0 GHADMP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246739076 1037582720 /nfs/dbraw/zinc/58/27/20/1037582720.db2.gz NHDVMVICXUVUDW-ISKFKSNPSA-N 2 1 391.563 3.530 20 0 GHADMP c1ccc(-c2ncnc3c2CC[N@@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CC3)cc1 ZINC001246738866 1037582930 /nfs/dbraw/zinc/58/29/30/1037582930.db2.gz HISXHRBPJOILGE-HXUWFJFHSA-N 2 1 376.548 3.999 20 0 GHADMP CC[C@@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749411 1037588501 /nfs/dbraw/zinc/58/85/01/1037588501.db2.gz WLJLMHOVQKLGTJ-BKFWDETESA-N 2 1 399.623 3.971 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)s1 ZINC001246759727 1037602373 /nfs/dbraw/zinc/60/23/73/1037602373.db2.gz SZOPUJUKZMWLHH-TXTKFYIRSA-N 2 1 395.572 3.979 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)s1 ZINC001246759727 1037602380 /nfs/dbraw/zinc/60/23/80/1037602380.db2.gz SZOPUJUKZMWLHH-TXTKFYIRSA-N 2 1 395.572 3.979 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)C[C@@H](CC)[NH2+]1 ZINC001246782412 1037621429 /nfs/dbraw/zinc/62/14/29/1037621429.db2.gz ZXCYOLKFZLHCIB-IECBHUPTSA-N 2 1 383.580 3.942 20 0 GHADMP CCOC(=O)CCC1CC[NH+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246789941 1037628274 /nfs/dbraw/zinc/62/82/74/1037628274.db2.gz KJSUTGQPFVFCHC-CTNGQTDRSA-N 2 1 376.516 3.983 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246816789 1037649978 /nfs/dbraw/zinc/64/99/78/1037649978.db2.gz HSUZMXQANKPZAE-NVXWUHKLSA-N 2 1 384.490 3.779 20 0 GHADMP CC[C@H]1CC([NH+]2CCN(c3cccc(Br)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246818569 1037650757 /nfs/dbraw/zinc/65/07/57/1037650757.db2.gz PQTBCQVQUUMWPD-IRXDYDNUSA-N 2 1 380.374 3.880 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830522 1037660405 /nfs/dbraw/zinc/66/04/05/1037660405.db2.gz VKJSSFIPCZVEGA-TWJOJJKGSA-N 2 1 389.587 3.948 20 0 GHADMP C[C@H]1C[C@@H](N2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)CC2)C[NH2+]1 ZINC001246839321 1037669256 /nfs/dbraw/zinc/66/92/56/1037669256.db2.gz SUBREZSPTSHJOS-XUZZJYLKSA-N 2 1 393.575 3.551 20 0 GHADMP c1ccc(CN2CC[C@H]([N@@H+](Cc3ccccc3)[C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC001246844302 1037670726 /nfs/dbraw/zinc/67/07/26/1037670726.db2.gz YSNOXRAOXRNCCQ-FQUZAXHOSA-N 2 1 375.560 3.761 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246849529 1037674049 /nfs/dbraw/zinc/67/40/49/1037674049.db2.gz FVFNOOGGNAXSPM-GVAUOCQISA-N 3 1 377.576 3.804 20 0 GHADMP Fc1cccc(N2CCC([N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)c1 ZINC001246865437 1037683597 /nfs/dbraw/zinc/68/35/97/1037683597.db2.gz ZPAIQQICISRLCM-UHFFFAOYSA-N 2 1 379.523 3.932 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246870405 1037686687 /nfs/dbraw/zinc/68/66/87/1037686687.db2.gz AUQTZKZDXCLWDQ-BSIFCXSSSA-N 2 1 385.349 3.853 20 0 GHADMP COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)[C@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001246882362 1037696922 /nfs/dbraw/zinc/69/69/22/1037696922.db2.gz HWHWSYBWYUUGFD-GHTZIAJQSA-N 2 1 382.573 3.976 20 0 GHADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001246908920 1037718882 /nfs/dbraw/zinc/71/88/82/1037718882.db2.gz ZXGQPUNWUJAQOK-KXTRFFEISA-N 2 1 391.559 3.950 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)CC1 ZINC001246931406 1037735612 /nfs/dbraw/zinc/73/56/12/1037735612.db2.gz BJJBJLCRUILKMD-UHFFFAOYSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246935236 1037739902 /nfs/dbraw/zinc/73/99/02/1037739902.db2.gz KVELVPPMYRUWRI-SNCIUUNGSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246935236 1037739925 /nfs/dbraw/zinc/73/99/25/1037739925.db2.gz KVELVPPMYRUWRI-SNCIUUNGSA-N 2 1 376.516 3.892 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CCO1 ZINC001246936936 1037741946 /nfs/dbraw/zinc/74/19/46/1037741946.db2.gz KOLDCJVBUUVJIV-RBUKOAKNSA-N 2 1 381.358 3.961 20 0 GHADMP CC[C@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CCO1 ZINC001246936934 1037743284 /nfs/dbraw/zinc/74/32/84/1037743284.db2.gz KOLDCJVBUUVJIV-OALUTQOASA-N 2 1 381.358 3.961 20 0 GHADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001246941711 1037746996 /nfs/dbraw/zinc/74/69/96/1037746996.db2.gz LKQFVHGERHGFFQ-YQHFOJDRSA-N 2 1 378.944 3.625 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246942199 1037747739 /nfs/dbraw/zinc/74/77/39/1037747739.db2.gz XNXWLMNMJNTEPY-KCPJHIHWSA-N 2 1 379.264 3.982 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246942199 1037747757 /nfs/dbraw/zinc/74/77/57/1037747757.db2.gz XNXWLMNMJNTEPY-KCPJHIHWSA-N 2 1 379.264 3.982 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953571 1037758175 /nfs/dbraw/zinc/75/81/75/1037758175.db2.gz BJDRWFIBXNCOFO-FUHWJXTLSA-N 2 1 380.479 3.641 20 0 GHADMP Fc1ccc(C[N@H+](C2CC[NH2+]CC2)C2CCC3(CC[NH2+]CC3)CC2)c(F)c1 ZINC001246953397 1037758888 /nfs/dbraw/zinc/75/88/88/1037758888.db2.gz BUDNRRRNZANXOE-UHFFFAOYSA-N 3 1 377.523 3.831 20 0 GHADMP Fc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CC[NH2+]CC3)CC2)c(F)c1 ZINC001246953397 1037758913 /nfs/dbraw/zinc/75/89/13/1037758913.db2.gz BUDNRRRNZANXOE-UHFFFAOYSA-N 3 1 377.523 3.831 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C2CC[NH2+]CC2)c1 ZINC001246956900 1037767201 /nfs/dbraw/zinc/76/72/01/1037767201.db2.gz IJGDJMGYAASSNJ-QFIPXVFZSA-N 2 1 398.934 3.848 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246959348 1037774164 /nfs/dbraw/zinc/77/41/64/1037774164.db2.gz ROZAGMDQCQFBCY-MSOLQXFVSA-N 2 1 376.541 3.621 20 0 GHADMP Cc1ccc(CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246961215 1037782379 /nfs/dbraw/zinc/78/23/79/1037782379.db2.gz JLMPMFIIYHBNRQ-HSZRJFAPSA-N 2 1 381.539 3.963 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246966975 1037789083 /nfs/dbraw/zinc/78/90/83/1037789083.db2.gz XTFSAKVEBCPPAI-TUFLPTIASA-N 2 1 388.552 3.889 20 0 GHADMP CC[C@@H]1CC([NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246984560 1037809745 /nfs/dbraw/zinc/80/97/45/1037809745.db2.gz MBUBBPGLXRKTGE-WOJBJXKFSA-N 2 1 379.552 3.575 20 0 GHADMP [NH3+]CCCCCc1nc2cc(N3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC001247010486 1037833795 /nfs/dbraw/zinc/83/37/95/1037833795.db2.gz JRPFJHVHYBNBEZ-UHFFFAOYSA-N 2 1 377.536 3.557 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354073 1038134221 /nfs/dbraw/zinc/13/42/21/1038134221.db2.gz DLBWPBBLNQBWPK-YUXAGFNASA-N 2 1 380.536 3.526 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001232354073 1038134230 /nfs/dbraw/zinc/13/42/30/1038134230.db2.gz DLBWPBBLNQBWPK-YUXAGFNASA-N 2 1 380.536 3.526 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cn3cc(F)ccc3n1)CC2 ZINC001232413273 1038195829 /nfs/dbraw/zinc/19/58/29/1038195829.db2.gz QTMSQVDBAKLDCS-UHFFFAOYSA-N 2 1 393.510 3.745 20 0 GHADMP Fc1ccc2nc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001232414753 1038197647 /nfs/dbraw/zinc/19/76/47/1038197647.db2.gz ISGGKAVRNZRKQG-UXHICEINSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1ccc2nc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001232414753 1038197655 /nfs/dbraw/zinc/19/76/55/1038197655.db2.gz ISGGKAVRNZRKQG-UXHICEINSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1ccc2nc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001232414753 1038197662 /nfs/dbraw/zinc/19/76/62/1038197662.db2.gz ISGGKAVRNZRKQG-UXHICEINSA-N 2 1 378.495 3.817 20 0 GHADMP Cc1cccc(F)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001232484112 1038262155 /nfs/dbraw/zinc/26/21/55/1038262155.db2.gz YDBOMORLIQDHEZ-HXUWFJFHSA-N 2 1 383.511 3.785 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3nc4ccccc4o3)C[C@H]21 ZINC001232557836 1038325536 /nfs/dbraw/zinc/32/55/36/1038325536.db2.gz KDKUIDKFZIEDBR-FBBABVLZSA-N 2 1 376.504 3.955 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cc(Br)cc(C(F)(F)F)c2)no1 ZINC001247693174 1038332543 /nfs/dbraw/zinc/33/25/43/1038332543.db2.gz MJCIJECHTBUNQV-NSHDSACASA-N 2 1 393.207 3.647 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc3cc(Br)ccc3c2)no1 ZINC001247693693 1038333031 /nfs/dbraw/zinc/33/30/31/1038333031.db2.gz RJPHYPBQLYXGRU-HNNXBMFYSA-N 2 1 375.270 3.781 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cccc4c2CCCC4)CC3)cn1 ZINC001232636773 1038423755 /nfs/dbraw/zinc/42/37/55/1038423755.db2.gz ZTMBBSOBTOKMBS-UHFFFAOYSA-N 2 1 378.564 3.930 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cccc4c2CCCC4)CC3)cn1 ZINC001232636773 1038423765 /nfs/dbraw/zinc/42/37/65/1038423765.db2.gz ZTMBBSOBTOKMBS-UHFFFAOYSA-N 2 1 378.564 3.930 20 0 GHADMP Clc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(Cl)c1 ZINC001247907494 1038481020 /nfs/dbraw/zinc/48/10/20/1038481020.db2.gz SUNAGQIAEWSHFV-LBPRGKRZSA-N 2 1 381.307 3.975 20 0 GHADMP Fc1cc(-c2noc([C@@H]3CCC[C@]34CC[NH2+]C4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247937175 1038508574 /nfs/dbraw/zinc/50/85/74/1038508574.db2.gz WXDIYYZNPKXXJB-LRXVAGHRSA-N 2 1 393.466 3.855 20 0 GHADMP C[NH+]1CCN(c2cccc(-c3noc([C@@H]4CC[N@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034574 1038549047 /nfs/dbraw/zinc/54/90/47/1038549047.db2.gz QKYBUGALUPFKAB-FQEVSTJZSA-N 2 1 381.524 3.568 20 0 GHADMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Br)ncc23)C1 ZINC001232861937 1038612930 /nfs/dbraw/zinc/61/29/30/1038612930.db2.gz JFOPKYSZZLNSHN-AWEZNQCLSA-N 2 1 387.281 3.682 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)C2)CC1 ZINC001233042168 1038798433 /nfs/dbraw/zinc/79/84/33/1038798433.db2.gz HAIXEXNKSDNNAR-UHFFFAOYSA-N 2 1 378.442 3.809 20 0 GHADMP COc1cccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c1NC(=O)OC(C)(C)C ZINC001233130339 1038914999 /nfs/dbraw/zinc/91/49/99/1038914999.db2.gz HCYQPMOHJJIQNN-UHFFFAOYSA-N 2 1 375.513 3.570 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](C[C@@H](O)COCc1ccccc1)CC2 ZINC001252279973 1038921790 /nfs/dbraw/zinc/92/17/90/1038921790.db2.gz HEXPGVMEZBQETP-GGAORHGYSA-N 2 1 398.547 3.534 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@@H]3C2)cc1 ZINC001233292599 1039080739 /nfs/dbraw/zinc/08/07/39/1039080739.db2.gz REKYXNKWCJOMRI-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@@H]3C2)cc1 ZINC001233292599 1039080758 /nfs/dbraw/zinc/08/07/58/1039080758.db2.gz REKYXNKWCJOMRI-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@@H]3C2)cc1 ZINC001233292599 1039080780 /nfs/dbraw/zinc/08/07/80/1039080780.db2.gz REKYXNKWCJOMRI-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(O)c5[nH]c(=O)ccc45)C[C@@H]3C2)cc1 ZINC001233292599 1039080803 /nfs/dbraw/zinc/08/08/03/1039080803.db2.gz REKYXNKWCJOMRI-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)Cc1ccccc1 ZINC001252718755 1039096946 /nfs/dbraw/zinc/09/69/46/1039096946.db2.gz TYJXGNRJYUBSQE-IRLDBZIGSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)Cc1ccccc1 ZINC001252718755 1039096966 /nfs/dbraw/zinc/09/69/66/1039096966.db2.gz TYJXGNRJYUBSQE-IRLDBZIGSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC001252718755 1039096985 /nfs/dbraw/zinc/09/69/85/1039096985.db2.gz TYJXGNRJYUBSQE-IRLDBZIGSA-N 2 1 388.600 3.660 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252761894 1039150942 /nfs/dbraw/zinc/15/09/42/1039150942.db2.gz XLCRXLLYJMIRQS-JTHBVZDNSA-N 2 1 396.575 3.836 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252935342 1039273077 /nfs/dbraw/zinc/27/30/77/1039273077.db2.gz ZLDKHBNIJGSIIO-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252935342 1039273093 /nfs/dbraw/zinc/27/30/93/1039273093.db2.gz ZLDKHBNIJGSIIO-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@H]2CCC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252935342 1039273105 /nfs/dbraw/zinc/27/31/05/1039273105.db2.gz ZLDKHBNIJGSIIO-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(C[C@H]2CCC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252935342 1039273115 /nfs/dbraw/zinc/27/31/15/1039273115.db2.gz ZLDKHBNIJGSIIO-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](CC2CCOCC2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950175 1039293886 /nfs/dbraw/zinc/29/38/86/1039293886.db2.gz FPXDGPXMWDJWQJ-LOSJGSFVSA-N 2 1 394.559 3.771 20 0 GHADMP O[C@]1(C[NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252952587 1039296140 /nfs/dbraw/zinc/29/61/40/1039296140.db2.gz HGRMPEDQHUXDBW-VWLOTQADSA-N 3 1 399.623 3.505 20 0 GHADMP O[C@]1(C[NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252952587 1039296156 /nfs/dbraw/zinc/29/61/56/1039296156.db2.gz HGRMPEDQHUXDBW-VWLOTQADSA-N 3 1 399.623 3.505 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001252996577 1039325153 /nfs/dbraw/zinc/32/51/53/1039325153.db2.gz DOBICEAXLMDCFL-VQTJNVASSA-N 2 1 377.573 3.523 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@](C)(O)c1ccccc1)CC2 ZINC001253099132 1039421680 /nfs/dbraw/zinc/42/16/80/1039421680.db2.gz FJXIKVZKFBRFJP-RPWUZVMVSA-N 2 1 394.559 3.650 20 0 GHADMP CC[NH+](CC)C[C@@H](O)C[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001253194663 1039469590 /nfs/dbraw/zinc/46/95/90/1039469590.db2.gz MRYLZUVXTLWVIU-NFBKMPQASA-N 2 1 384.564 3.831 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001234396334 1039999976 /nfs/dbraw/zinc/99/99/76/1039999976.db2.gz JTXKRNPDKNLUDN-IFMALSPDSA-N 2 1 388.600 3.851 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254209529 1040063051 /nfs/dbraw/zinc/06/30/51/1040063051.db2.gz NWOYREUFSPAFIK-IBGZPJMESA-N 2 1 388.556 3.738 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254292462 1040142456 /nfs/dbraw/zinc/14/24/56/1040142456.db2.gz AIXKPMPHQSXECC-SFHVURJKSA-N 2 1 388.556 3.738 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC001462440830 1070255166 /nfs/dbraw/zinc/25/51/66/1070255166.db2.gz RNEUUXTWRGIOOE-UXPWSPDFSA-N 2 1 394.401 3.906 20 0 GHADMP CCN(C(=O)NC1CCC(C)([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001254426999 1040226041 /nfs/dbraw/zinc/22/60/41/1040226041.db2.gz GZKMCNDTTYARNY-WQMHRJNTSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC001254511051 1040291620 /nfs/dbraw/zinc/29/16/20/1040291620.db2.gz UCDAGFRJRZVGKW-HXUWFJFHSA-N 3 1 394.401 3.735 20 0 GHADMP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC001254511051 1040291634 /nfs/dbraw/zinc/29/16/34/1040291634.db2.gz UCDAGFRJRZVGKW-HXUWFJFHSA-N 2 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC001254511051 1040291647 /nfs/dbraw/zinc/29/16/47/1040291647.db2.gz UCDAGFRJRZVGKW-HXUWFJFHSA-N 2 1 394.401 3.735 20 0 GHADMP C[N@@H+]1CCC[C@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001254533650 1040305991 /nfs/dbraw/zinc/30/59/91/1040305991.db2.gz OLBTVBPVUGTPPF-QFIPXVFZSA-N 2 1 379.548 3.872 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001254533650 1040305998 /nfs/dbraw/zinc/30/59/98/1040305998.db2.gz OLBTVBPVUGTPPF-QFIPXVFZSA-N 2 1 379.548 3.872 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccccc1-n1cccn1)CC2 ZINC001235019177 1040508411 /nfs/dbraw/zinc/50/84/11/1040508411.db2.gz MSGJDIDMTGFYCZ-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccccc1-n1cccn1)CC2 ZINC001235019177 1040508431 /nfs/dbraw/zinc/50/84/31/1040508431.db2.gz MSGJDIDMTGFYCZ-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254789053 1040549373 /nfs/dbraw/zinc/54/93/73/1040549373.db2.gz MBYYMMWFLXUFNC-IBGZPJMESA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC(n3cc[nH+]c3CCC[NH3+])CC2)CC1 ZINC001254792848 1040553296 /nfs/dbraw/zinc/55/32/96/1040553296.db2.gz IGCRDQUVYHXDIW-UHFFFAOYSA-N 2 1 376.545 3.907 20 0 GHADMP FC(F)(F)Oc1cc(Br)cc(C[NH+]2CC3(C2)CC[NH2+]CC3)c1 ZINC001235088659 1040577996 /nfs/dbraw/zinc/57/79/96/1040577996.db2.gz KGRCJHBHCVTHTK-UHFFFAOYSA-N 2 1 379.220 3.533 20 0 GHADMP Brc1csc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1Br ZINC001235105212 1040592114 /nfs/dbraw/zinc/59/21/14/1040592114.db2.gz ACVCRHAGNIOFPA-UHFFFAOYSA-N 2 1 394.176 3.849 20 0 GHADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CNCCO3)C2)cc1OCc1ccccc1 ZINC001235118047 1040609297 /nfs/dbraw/zinc/60/92/97/1040609297.db2.gz LQMRQSGJXGWYQF-XMMPIXPASA-N 2 1 396.531 3.537 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@H+]1Cc3ccccc3C[C@@H]1CN)CC2 ZINC001254875997 1040620907 /nfs/dbraw/zinc/62/09/07/1040620907.db2.gz SZJREQUHOMXJLK-ZPGVXSSASA-N 2 1 399.579 3.942 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001254885990 1040637442 /nfs/dbraw/zinc/63/74/42/1040637442.db2.gz HZVWEWFPODFHBI-CZYKHXBRSA-N 2 1 399.579 3.744 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1 ZINC001254887737 1040639154 /nfs/dbraw/zinc/63/91/54/1040639154.db2.gz TWWLACRYNQAMCX-RZIOSVHNSA-N 2 1 379.589 3.590 20 0 GHADMP c1ccc2c(c1)sc1c2cccc1C[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235200579 1040686834 /nfs/dbraw/zinc/68/68/34/1040686834.db2.gz NWOCCEXWVQPERZ-JOCHJYFZSA-N 2 1 382.529 3.635 20 0 GHADMP c1ccc2c(c1)sc1c2cccc1C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235200579 1040686856 /nfs/dbraw/zinc/68/68/56/1040686856.db2.gz NWOCCEXWVQPERZ-JOCHJYFZSA-N 2 1 382.529 3.635 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](CN3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)C2)cc1 ZINC001235248209 1040730680 /nfs/dbraw/zinc/73/06/80/1040730680.db2.gz PZIATYNUWOKUQG-QLBJFCOMSA-N 2 1 375.560 3.730 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001235265916 1040744920 /nfs/dbraw/zinc/74/49/20/1040744920.db2.gz LDFUHQPYQXNKPT-RBBKRZOGSA-N 2 1 388.600 3.563 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC001235271921 1040748748 /nfs/dbraw/zinc/74/87/48/1040748748.db2.gz PMXAWJADXJWVCX-QAPCUYQASA-N 2 1 377.410 3.831 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC001235271921 1040748764 /nfs/dbraw/zinc/74/87/64/1040748764.db2.gz PMXAWJADXJWVCX-QAPCUYQASA-N 2 1 377.410 3.831 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC001235271923 1040748964 /nfs/dbraw/zinc/74/89/64/1040748964.db2.gz PMXAWJADXJWVCX-YJBOKZPZSA-N 2 1 377.410 3.831 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC001235271923 1040748976 /nfs/dbraw/zinc/74/89/76/1040748976.db2.gz PMXAWJADXJWVCX-YJBOKZPZSA-N 2 1 377.410 3.831 20 0 GHADMP OCC1C[NH+]([C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255078271 1040768660 /nfs/dbraw/zinc/76/86/60/1040768660.db2.gz XDQSONSABJRAFC-UBFVSLLYSA-N 2 1 376.544 3.676 20 0 GHADMP OCC1C[NH+]([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255078271 1040768669 /nfs/dbraw/zinc/76/86/69/1040768669.db2.gz XDQSONSABJRAFC-UBFVSLLYSA-N 2 1 376.544 3.676 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1F)C2 ZINC001235323409 1040793178 /nfs/dbraw/zinc/79/31/78/1040793178.db2.gz DFQHYFRUOOVSET-GHTZIAJQSA-N 2 1 394.918 3.624 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc(C)c1Cl)C2 ZINC001235326247 1040796606 /nfs/dbraw/zinc/79/66/06/1040796606.db2.gz SOPRUGLUTOGJHB-PGRDOPGGSA-N 2 1 390.955 3.793 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2[C@H]4C[N@H+](Cc5ccccc5)C[C@H]42)C3)cc1 ZINC001255128077 1040820397 /nfs/dbraw/zinc/82/03/97/1040820397.db2.gz KGGYKXSBPFTAHW-OAUNFZPFSA-N 2 1 387.571 3.902 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001255128077 1040820412 /nfs/dbraw/zinc/82/04/12/1040820412.db2.gz KGGYKXSBPFTAHW-OAUNFZPFSA-N 2 1 387.571 3.902 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255128077 1040820425 /nfs/dbraw/zinc/82/04/25/1040820425.db2.gz KGGYKXSBPFTAHW-OAUNFZPFSA-N 2 1 387.571 3.902 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(-c4cccs4)s3)C[C@@H]1CC[NH2+]CC2 ZINC001235348334 1040822091 /nfs/dbraw/zinc/82/20/91/1040822091.db2.gz BCBRVAZBVJDVGC-YWZLYKJASA-N 2 1 390.574 3.841 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3sc(Cl)c4ccccc43)C[C@@H]1CC[NH2+]CC2 ZINC001235349073 1040823613 /nfs/dbraw/zinc/82/36/13/1040823613.db2.gz KWLQQHFPIXYZNB-XOBRGWDASA-N 2 1 392.952 3.919 20 0 GHADMP COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135674 1040836310 /nfs/dbraw/zinc/83/63/10/1040836310.db2.gz KTVYOWJKUQECSF-LRGAHJEBSA-N 2 1 382.548 3.749 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235364782 1040853203 /nfs/dbraw/zinc/85/32/03/1040853203.db2.gz MTRHBOMURHSLHK-QPPBQGQZSA-N 2 1 380.532 3.765 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]12 ZINC001255143191 1040853907 /nfs/dbraw/zinc/85/39/07/1040853907.db2.gz WCCRKRMLQURWLW-PMNYKWLYSA-N 2 1 387.527 3.850 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]12 ZINC001255143191 1040853914 /nfs/dbraw/zinc/85/39/14/1040853914.db2.gz WCCRKRMLQURWLW-PMNYKWLYSA-N 2 1 387.527 3.850 20 0 GHADMP O=C1Nc2ccccc2[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]12 ZINC001255143191 1040853928 /nfs/dbraw/zinc/85/39/28/1040853928.db2.gz WCCRKRMLQURWLW-PMNYKWLYSA-N 2 1 387.527 3.850 20 0 GHADMP FC(F)(F)c1nn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001255149379 1040867163 /nfs/dbraw/zinc/86/71/63/1040867163.db2.gz GXZVOEAAJHPLGB-FVQHAEBGSA-N 2 1 390.453 3.916 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](CC2(c4ccccc4)CCOCC2)C3)cc1 ZINC001235378376 1040896855 /nfs/dbraw/zinc/89/68/55/1040896855.db2.gz HCFHDIZAFLJYHO-NOZRDPDXSA-N 2 1 376.544 3.814 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@@H+](Cc2ccc(N4CCCCC4)nc2)C3)cc1 ZINC001235381462 1040902266 /nfs/dbraw/zinc/90/22/66/1040902266.db2.gz XKMALFHXOZXAET-VWNXMTODSA-N 2 1 376.548 3.651 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](Cc2ccc(N4CCCCC4)nc2)C3)cc1 ZINC001235381462 1040902269 /nfs/dbraw/zinc/90/22/69/1040902269.db2.gz XKMALFHXOZXAET-VWNXMTODSA-N 2 1 376.548 3.651 20 0 GHADMP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001235388446 1040906582 /nfs/dbraw/zinc/90/65/82/1040906582.db2.gz HMJUQRJEAVLUFR-OYRHEFFESA-N 2 1 385.552 3.711 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001235388446 1040906583 /nfs/dbraw/zinc/90/65/83/1040906583.db2.gz HMJUQRJEAVLUFR-OYRHEFFESA-N 2 1 385.552 3.711 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001235388446 1040906584 /nfs/dbraw/zinc/90/65/84/1040906584.db2.gz HMJUQRJEAVLUFR-OYRHEFFESA-N 2 1 385.552 3.711 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001235388446 1040906587 /nfs/dbraw/zinc/90/65/87/1040906587.db2.gz HMJUQRJEAVLUFR-OYRHEFFESA-N 2 1 385.552 3.711 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001255213979 1040909300 /nfs/dbraw/zinc/90/93/00/1040909300.db2.gz JUUBNZBNGLNACK-NUNAXRQHSA-N 2 1 399.579 3.982 20 0 GHADMP Brc1ccc2n[nH]c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423749 1040925331 /nfs/dbraw/zinc/92/53/31/1040925331.db2.gz GVLRSUWXRRMUTN-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423749 1040925339 /nfs/dbraw/zinc/92/53/39/1040925339.db2.gz GVLRSUWXRRMUTN-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423749 1040925342 /nfs/dbraw/zinc/92/53/42/1040925342.db2.gz GVLRSUWXRRMUTN-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424749 1040926855 /nfs/dbraw/zinc/92/68/55/1040926855.db2.gz IGTOVEVMRDZBAY-UONOGXRCSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235424749 1040926873 /nfs/dbraw/zinc/92/68/73/1040926873.db2.gz IGTOVEVMRDZBAY-UONOGXRCSA-N 2 1 385.321 3.808 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC001235427850 1040928692 /nfs/dbraw/zinc/92/86/92/1040928692.db2.gz UDKCQJLTIYKGGV-HUUCEWRRSA-N 2 1 397.357 3.678 20 0 GHADMP Ic1sccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428103 1040930089 /nfs/dbraw/zinc/93/00/89/1040930089.db2.gz OSHPSPFQPCNVFY-STQMWFEESA-N 2 1 390.334 3.564 20 0 GHADMP Nc1cc(Cl)c(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430782 1040931974 /nfs/dbraw/zinc/93/19/74/1040931974.db2.gz XVNBICFGKAZDFC-STQMWFEESA-N 2 1 386.765 3.896 20 0 GHADMP COc1ccc(Br)c(OC)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235433096 1040934912 /nfs/dbraw/zinc/93/49/12/1040934912.db2.gz XBOJUILYQUIANV-HUUCEWRRSA-N 2 1 397.357 3.678 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001255388739 1040977325 /nfs/dbraw/zinc/97/73/25/1040977325.db2.gz GZEQMSGNBNTTEE-UNMCSNQZSA-N 2 1 382.504 3.641 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001255388739 1040977326 /nfs/dbraw/zinc/97/73/26/1040977326.db2.gz GZEQMSGNBNTTEE-UNMCSNQZSA-N 2 1 382.504 3.641 20 0 GHADMP Cn1cc(-c2cc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)ccn2)cn1 ZINC001255389761 1040978346 /nfs/dbraw/zinc/97/83/46/1040978346.db2.gz SDKHPQWHYCJJDV-QFIPXVFZSA-N 2 1 375.520 3.626 20 0 GHADMP CC[C@@H]1[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001235549730 1040982479 /nfs/dbraw/zinc/98/24/79/1040982479.db2.gz IGYZYPUSLYKQPA-UNMCSNQZSA-N 2 1 387.593 3.539 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001235557202 1040985550 /nfs/dbraw/zinc/98/55/50/1040985550.db2.gz GEIGSGXQGWZQBZ-QVHQYWGISA-N 2 1 397.579 3.771 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235557202 1040985552 /nfs/dbraw/zinc/98/55/52/1040985552.db2.gz GEIGSGXQGWZQBZ-QVHQYWGISA-N 2 1 397.579 3.771 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235557202 1040985555 /nfs/dbraw/zinc/98/55/55/1040985555.db2.gz GEIGSGXQGWZQBZ-QVHQYWGISA-N 2 1 397.579 3.771 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001255400927 1040987980 /nfs/dbraw/zinc/98/79/80/1040987980.db2.gz DYUHWHBVBQLKMP-YSFYHYPLSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CCC[N@H+](Cc4ccccc4)CC3)O2)n1 ZINC001255400927 1040987984 /nfs/dbraw/zinc/98/79/84/1040987984.db2.gz DYUHWHBVBQLKMP-YSFYHYPLSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)O2)n1 ZINC001255400927 1040987985 /nfs/dbraw/zinc/98/79/85/1040987985.db2.gz DYUHWHBVBQLKMP-YSFYHYPLSA-N 2 1 396.535 3.727 20 0 GHADMP c1ccc(C[NH+]2CC3(CN([C@@H]4CCC[N@@H+](Cc5ccccc5)CC4)C3)C2)cc1 ZINC001255402880 1040990282 /nfs/dbraw/zinc/99/02/82/1040990282.db2.gz BLPDGSBMJIIPKF-XMMPIXPASA-N 2 1 375.560 3.859 20 0 GHADMP COc1cc(C)c(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(C)c1C ZINC001235563993 1040991063 /nfs/dbraw/zinc/99/10/63/1040991063.db2.gz FMZYHSVRNCLOOD-UHFFFAOYSA-N 2 1 382.552 3.865 20 0 GHADMP FC(F)(F)c1cccc(CC[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001235565905 1040991441 /nfs/dbraw/zinc/99/14/41/1040991441.db2.gz MXUYZMQJHVRYQK-UHFFFAOYSA-N 2 1 392.469 3.992 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255407583 1040994587 /nfs/dbraw/zinc/99/45/87/1040994587.db2.gz BOMXARAYOSKBNF-DEOSSOPVSA-N 2 1 391.559 3.889 20 0 GHADMP O=C(c1ccccc1)N1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255407583 1040994600 /nfs/dbraw/zinc/99/46/00/1040994600.db2.gz BOMXARAYOSKBNF-DEOSSOPVSA-N 2 1 391.559 3.889 20 0 GHADMP O=C(c1ccccc1)N1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255407583 1040994602 /nfs/dbraw/zinc/99/46/02/1040994602.db2.gz BOMXARAYOSKBNF-DEOSSOPVSA-N 2 1 391.559 3.889 20 0 GHADMP O=C(c1ccccc1)N1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255407583 1040994604 /nfs/dbraw/zinc/99/46/04/1040994604.db2.gz BOMXARAYOSKBNF-DEOSSOPVSA-N 2 1 391.559 3.889 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc(C)n1 ZINC001255409587 1040998026 /nfs/dbraw/zinc/99/80/26/1040998026.db2.gz IKCJWKDKIWBOCI-QFIPXVFZSA-N 2 1 393.579 3.707 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC001255409587 1040998030 /nfs/dbraw/zinc/99/80/30/1040998030.db2.gz IKCJWKDKIWBOCI-QFIPXVFZSA-N 3 1 393.579 3.707 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC001255409587 1040998034 /nfs/dbraw/zinc/99/80/34/1040998034.db2.gz IKCJWKDKIWBOCI-QFIPXVFZSA-N 3 1 393.579 3.707 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659864 1041111146 /nfs/dbraw/zinc/11/11/46/1041111146.db2.gz BZVFULGLKIOQBM-AGILITTLSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659864 1041111165 /nfs/dbraw/zinc/11/11/65/1041111165.db2.gz BZVFULGLKIOQBM-AGILITTLSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659864 1041111174 /nfs/dbraw/zinc/11/11/74/1041111174.db2.gz BZVFULGLKIOQBM-AGILITTLSA-N 2 1 384.612 3.926 20 0 GHADMP Clc1cccc(Cl)c1CN1CC[NH+](Cc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001235692087 1041167390 /nfs/dbraw/zinc/16/73/90/1041167390.db2.gz USWBPRDVVGTDSV-UHFFFAOYSA-N 2 1 376.331 3.914 20 0 GHADMP C[N@@H+](CCc1cccs1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235719594 1041204395 /nfs/dbraw/zinc/20/43/95/1041204395.db2.gz XTJYQBSSWNLTBQ-UHFFFAOYSA-N 2 1 394.382 3.595 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255676947 1041209191 /nfs/dbraw/zinc/20/91/91/1041209191.db2.gz JVWQOVHIOAKMMV-MBDJBHLASA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255676947 1041209204 /nfs/dbraw/zinc/20/92/04/1041209204.db2.gz JVWQOVHIOAKMMV-MBDJBHLASA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255676947 1041209222 /nfs/dbraw/zinc/20/92/22/1041209222.db2.gz JVWQOVHIOAKMMV-MBDJBHLASA-N 3 1 397.607 3.757 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255676947 1041209239 /nfs/dbraw/zinc/20/92/39/1041209239.db2.gz JVWQOVHIOAKMMV-MBDJBHLASA-N 3 1 397.607 3.757 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001255676947 1041209259 /nfs/dbraw/zinc/20/92/59/1041209259.db2.gz JVWQOVHIOAKMMV-MBDJBHLASA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001255676947 1041209277 /nfs/dbraw/zinc/20/92/77/1041209277.db2.gz JVWQOVHIOAKMMV-MBDJBHLASA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255676947 1041209295 /nfs/dbraw/zinc/20/92/95/1041209295.db2.gz JVWQOVHIOAKMMV-MBDJBHLASA-N 3 1 397.607 3.757 20 0 GHADMP Clc1ccc([C@@H]2C[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CCN2)cc1 ZINC001235789399 1041280196 /nfs/dbraw/zinc/28/01/96/1041280196.db2.gz DGTSKBLAVXNMOF-NRFANRHFSA-N 2 1 380.923 3.544 20 0 GHADMP Clc1ccc([C@@H]2CN(Cc3cn4c5c3cccc5C[NH2+]CC4)CC[NH2+]2)cc1 ZINC001235789399 1041280209 /nfs/dbraw/zinc/28/02/09/1041280209.db2.gz DGTSKBLAVXNMOF-NRFANRHFSA-N 2 1 380.923 3.544 20 0 GHADMP COc1ccc(Oc2cccc(C[NH+]3CCN(C4(C)CC[NH2+]CC4)CC3)c2)cc1 ZINC001235815092 1041329026 /nfs/dbraw/zinc/32/90/26/1041329026.db2.gz IYTSVTJIOOAINO-UHFFFAOYSA-N 2 1 395.547 3.747 20 0 GHADMP CCOc1c(Cl)cc(CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)cc1Cl ZINC001235823345 1041341235 /nfs/dbraw/zinc/34/12/35/1041341235.db2.gz WKLRIWDDYPSHKD-UHFFFAOYSA-N 2 1 386.367 3.652 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C1 ZINC001255903155 1041384921 /nfs/dbraw/zinc/38/49/21/1041384921.db2.gz FVZCXDBBTLKTJY-GOSISDBHSA-N 2 1 391.531 3.561 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001255961207 1041439945 /nfs/dbraw/zinc/43/99/45/1041439945.db2.gz VPGAXWGFMAXQMP-RXVVDRJESA-N 2 1 377.598 3.797 20 0 GHADMP COCCC[N@@H+](Cc1c[nH]c2c1cccc2Br)C1CC[NH2+]CC1 ZINC001235937713 1041444307 /nfs/dbraw/zinc/44/43/07/1041444307.db2.gz PTWVZNLUTGTOBD-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001255963993 1041444593 /nfs/dbraw/zinc/44/45/93/1041444593.db2.gz VHMPGAOUYVCFFA-AGILITTLSA-N 2 1 391.644 3.567 20 0 GHADMP C[C@@]1(c2ccc(F)cc2)C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCO1 ZINC001235962465 1041468884 /nfs/dbraw/zinc/46/88/84/1041468884.db2.gz KYUHGMUPJJLUMB-QHCPKHFHSA-N 2 1 379.479 3.631 20 0 GHADMP c1ccc2c(c1)C[N@H+](Cc1cccc(N3CCCCC3)n1)CC21CC[NH2+]CC1 ZINC001235978198 1041481139 /nfs/dbraw/zinc/48/11/39/1041481139.db2.gz PKLCQJMVUBGDGK-UHFFFAOYSA-N 2 1 376.548 3.709 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[NH+]1CC2(C1)CCC[NH2+]CC2 ZINC001236010666 1041502758 /nfs/dbraw/zinc/50/27/58/1041502758.db2.gz WOXPOTOXWYWVHT-UHFFFAOYSA-N 2 1 375.900 3.574 20 0 GHADMP CCOC(=O)[C@]12C[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@H]1C[NH2+]CC2 ZINC001236037781 1041512759 /nfs/dbraw/zinc/51/27/59/1041512759.db2.gz CKTUAGUTKXUABN-QVKFZJNVSA-N 2 1 388.895 3.575 20 0 GHADMP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@H]1C[NH2+]CC2 ZINC001236037781 1041512766 /nfs/dbraw/zinc/51/27/66/1041512766.db2.gz CKTUAGUTKXUABN-QVKFZJNVSA-N 2 1 388.895 3.575 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)cc2)c1 ZINC001236080519 1041524231 /nfs/dbraw/zinc/52/42/31/1041524231.db2.gz ULBWKWYBDNUAQS-DEOSSOPVSA-N 2 1 378.564 3.618 20 0 GHADMP CCC[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001236089713 1041527729 /nfs/dbraw/zinc/52/77/29/1041527729.db2.gz WWZWSPAXZJJEOS-FQEVSTJZSA-N 2 1 394.563 3.644 20 0 GHADMP COc1ccc(C[C@@H](C)[N@H+](Cc2cnc3n2CC[NH2+]C3)Cc2ccccc2)cc1 ZINC001236106230 1041538666 /nfs/dbraw/zinc/53/86/66/1041538666.db2.gz BQQSSIGSNZTZGM-LJQANCHMSA-N 2 1 390.531 3.628 20 0 GHADMP COc1ccc(C[C@@H](C)[N@@H+](Cc2cnc3n2CC[NH2+]C3)Cc2ccccc2)cc1 ZINC001236106230 1041538678 /nfs/dbraw/zinc/53/86/78/1041538678.db2.gz BQQSSIGSNZTZGM-LJQANCHMSA-N 2 1 390.531 3.628 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001236145148 1041566770 /nfs/dbraw/zinc/56/67/70/1041566770.db2.gz CUSVSDJMHVPBJQ-XMMPIXPASA-N 2 1 393.575 3.827 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001236145148 1041566790 /nfs/dbraw/zinc/56/67/90/1041566790.db2.gz CUSVSDJMHVPBJQ-XMMPIXPASA-N 2 1 393.575 3.827 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001236145148 1041566821 /nfs/dbraw/zinc/56/68/21/1041566821.db2.gz CUSVSDJMHVPBJQ-XMMPIXPASA-N 2 1 393.575 3.827 20 0 GHADMP C[N@@H+](Cc1ccc2ccccc2c1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001236183979 1041602545 /nfs/dbraw/zinc/60/25/45/1041602545.db2.gz NRNPRNDYKXVIHZ-UHFFFAOYSA-N 2 1 385.515 3.982 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC001236230134 1041633342 /nfs/dbraw/zinc/63/33/42/1041633342.db2.gz YPBWXXWIXKKDNF-UHFFFAOYSA-N 2 1 396.604 3.725 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCN(C2(c3ccccc3)CC2)CC1 ZINC001236230134 1041633345 /nfs/dbraw/zinc/63/33/45/1041633345.db2.gz YPBWXXWIXKKDNF-UHFFFAOYSA-N 2 1 396.604 3.725 20 0 GHADMP Brc1cccn2c(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cnc12 ZINC001236375940 1041687441 /nfs/dbraw/zinc/68/74/41/1041687441.db2.gz OFXSQASOUQQDFU-OAHLLOKOSA-N 2 1 391.357 3.841 20 0 GHADMP COc1ccc2n[nH]c(C[N@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)c2c1 ZINC001236380990 1041690652 /nfs/dbraw/zinc/69/06/52/1041690652.db2.gz JANFCMKSOSIHFS-UHFFFAOYSA-N 2 1 382.483 3.712 20 0 GHADMP COc1ccc2[nH]nc(C[N@@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)c2c1 ZINC001236380990 1041690656 /nfs/dbraw/zinc/69/06/56/1041690656.db2.gz JANFCMKSOSIHFS-UHFFFAOYSA-N 2 1 382.483 3.712 20 0 GHADMP COc1ccc2[nH]nc(C[N@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)c2c1 ZINC001236380990 1041690659 /nfs/dbraw/zinc/69/06/59/1041690659.db2.gz JANFCMKSOSIHFS-UHFFFAOYSA-N 2 1 382.483 3.712 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OCc2ccccc2)c(OC)c1)C[C@@H]1CC[NH2+]C1 ZINC001236412358 1041705348 /nfs/dbraw/zinc/70/53/48/1041705348.db2.gz SVCNZWYOHPIBQH-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP COc1ccc(C[N@H+](Cc2cn(C)c3ccnc(Cl)c23)C2CC[NH2+]CC2)cc1 ZINC001236447146 1041716244 /nfs/dbraw/zinc/71/62/44/1041716244.db2.gz GYBODKTTYRMEJV-UHFFFAOYSA-N 2 1 398.938 3.990 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cn(C)c3ccnc(Cl)c23)C2CC[NH2+]CC2)cc1 ZINC001236447146 1041716250 /nfs/dbraw/zinc/71/62/50/1041716250.db2.gz GYBODKTTYRMEJV-UHFFFAOYSA-N 2 1 398.938 3.990 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H](C)Cc4ccccn4)CC3)C2)cc1 ZINC001256417662 1041725450 /nfs/dbraw/zinc/72/54/50/1041725450.db2.gz WWUDXBQDVYBTML-NRFANRHFSA-N 2 1 379.548 3.688 20 0 GHADMP CCOCC[N@H+](Cc1ccc2nc(Br)sc2c1)C1CC[NH2+]CC1 ZINC001236464347 1041726019 /nfs/dbraw/zinc/72/60/19/1041726019.db2.gz AVGPHHHZIRMTTL-UHFFFAOYSA-N 2 1 398.370 3.649 20 0 GHADMP CCOCC[N@@H+](Cc1ccc2nc(Br)sc2c1)C1CC[NH2+]CC1 ZINC001236464347 1041726026 /nfs/dbraw/zinc/72/60/26/1041726026.db2.gz AVGPHHHZIRMTTL-UHFFFAOYSA-N 2 1 398.370 3.649 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc(OC)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236465452 1041726940 /nfs/dbraw/zinc/72/69/40/1041726940.db2.gz TZOKSFQBXZGWOF-UHFFFAOYSA-N 2 1 382.504 3.544 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc(OC)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236465452 1041726943 /nfs/dbraw/zinc/72/69/43/1041726943.db2.gz TZOKSFQBXZGWOF-UHFFFAOYSA-N 2 1 382.504 3.544 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001236474123 1041730954 /nfs/dbraw/zinc/73/09/54/1041730954.db2.gz PSGMZROGYUOFLM-CUYJMHBOSA-N 2 1 390.527 3.940 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001236474123 1041730960 /nfs/dbraw/zinc/73/09/60/1041730960.db2.gz PSGMZROGYUOFLM-CUYJMHBOSA-N 2 1 390.527 3.940 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256479348 1041754420 /nfs/dbraw/zinc/75/44/20/1041754420.db2.gz IUNYDCWOURJRNY-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256479348 1041754423 /nfs/dbraw/zinc/75/44/23/1041754423.db2.gz IUNYDCWOURJRNY-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256479348 1041754430 /nfs/dbraw/zinc/75/44/30/1041754430.db2.gz IUNYDCWOURJRNY-YJMBLLCNSA-N 2 1 399.579 3.838 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cn3ccc(Br)cc3n2)CC2CCC2)CC1 ZINC001236540785 1041756383 /nfs/dbraw/zinc/75/63/83/1041756383.db2.gz BQBOPSAGPDXTKP-SAABIXHNSA-N 2 1 391.357 3.969 20 0 GHADMP COc1ccc(Br)c(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236540982 1041756806 /nfs/dbraw/zinc/75/68/06/1041756806.db2.gz PMASNSCKVQXMCC-SHTZXODSSA-N 2 1 382.346 3.725 20 0 GHADMP CC(C)C[N@@H+](Cc1cn2c(cccc2Br)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551015 1041758706 /nfs/dbraw/zinc/75/87/06/1041758706.db2.gz ILGCBXGXWRILDC-KOMQPUFPSA-N 2 1 379.346 3.825 20 0 GHADMP CC[N@@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1 ZINC001236559505 1041762528 /nfs/dbraw/zinc/76/25/28/1041762528.db2.gz JQULNIAXQFVQQO-HSZRJFAPSA-N 2 1 392.547 3.683 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1 ZINC001236559505 1041762531 /nfs/dbraw/zinc/76/25/31/1041762531.db2.gz JQULNIAXQFVQQO-HSZRJFAPSA-N 2 1 392.547 3.683 20 0 GHADMP FC(F)(F)CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462566844 1070372904 /nfs/dbraw/zinc/37/29/04/1070372904.db2.gz PUUJGNDNJSENDX-YRPNKDGESA-N 2 1 381.486 3.656 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2cc(Br)c[nH]c2=O)CC1 ZINC001236694885 1041836557 /nfs/dbraw/zinc/83/65/57/1041836557.db2.gz UJXRWSIEIMYKKZ-IYARVYRRSA-N 2 1 390.325 3.822 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc(F)c1O ZINC001236742752 1041869439 /nfs/dbraw/zinc/86/94/39/1041869439.db2.gz QMKPENJJJYMQFZ-IYARVYRRSA-N 2 1 376.447 3.951 20 0 GHADMP CCOC(=O)COc1ccccc1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767599 1041879644 /nfs/dbraw/zinc/87/96/44/1041879644.db2.gz OGPCZGMEUGXBPZ-WGSAOQKQSA-N 2 1 376.541 3.747 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)cc1F ZINC001236824472 1041918082 /nfs/dbraw/zinc/91/80/82/1041918082.db2.gz PTDUJABUVHAHDD-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)cc1F ZINC001236824472 1041918084 /nfs/dbraw/zinc/91/80/84/1041918084.db2.gz PTDUJABUVHAHDD-UHFFFAOYSA-N 2 1 387.474 3.857 20 0 GHADMP CCC[N@H+](Cc1ccc(OC(=O)c2cccs2)c(OC)c1)C[C@H]1CC[NH2+]C1 ZINC001236835379 1041922973 /nfs/dbraw/zinc/92/29/73/1041922973.db2.gz MMBBJOQMTWMUNF-KRWDZBQOSA-N 2 1 388.533 3.797 20 0 GHADMP c1ncn(-c2cccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2)n1 ZINC001236886454 1041940654 /nfs/dbraw/zinc/94/06/54/1041940654.db2.gz DZQWUWKMGBDLGJ-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2cccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2)n1 ZINC001236886454 1041940655 /nfs/dbraw/zinc/94/06/55/1041940655.db2.gz DZQWUWKMGBDLGJ-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2cccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2)n1 ZINC001236886454 1041940656 /nfs/dbraw/zinc/94/06/56/1041940656.db2.gz DZQWUWKMGBDLGJ-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCO[C@@](C)(c4ccc(Cl)cc4)C3)c2)CC1 ZINC001236891446 1041941762 /nfs/dbraw/zinc/94/17/62/1041941762.db2.gz WLRJDODYZUPSHH-HSZRJFAPSA-N 2 1 399.966 3.839 20 0 GHADMP COc1cccc([C@@H]2CSCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001236891934 1041942902 /nfs/dbraw/zinc/94/29/02/1041942902.db2.gz BURLLQMNSUBDJP-QHCPKHFHSA-N 2 1 397.588 3.737 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cccc(N4CCN(C)CC4)c3)CC2)CC1 ZINC001236895059 1041943315 /nfs/dbraw/zinc/94/33/15/1041943315.db2.gz VBWALKCVYUWJAX-UHFFFAOYSA-N 2 1 398.639 3.772 20 0 GHADMP C[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)Cc1cccc2cccnc21 ZINC001236963858 1041971540 /nfs/dbraw/zinc/97/15/40/1041971540.db2.gz ODMHPEBFUMUQTN-UHFFFAOYSA-N 2 1 378.495 3.758 20 0 GHADMP C[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)Cc1cccc2cccnc21 ZINC001236963858 1041971545 /nfs/dbraw/zinc/97/15/45/1041971545.db2.gz ODMHPEBFUMUQTN-UHFFFAOYSA-N 2 1 378.495 3.758 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@@H+]2CCCCC23CC3)CC1 ZINC001237097974 1042033909 /nfs/dbraw/zinc/03/39/09/1042033909.db2.gz IVRMKGFWIGDLRV-UHFFFAOYSA-N 2 1 378.358 3.719 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCCCC23CC3)CC1 ZINC001237097974 1042033914 /nfs/dbraw/zinc/03/39/14/1042033914.db2.gz IVRMKGFWIGDLRV-UHFFFAOYSA-N 2 1 378.358 3.719 20 0 GHADMP C[C@H]1CNCC(F)(F)[C@@H]1CN1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001237192028 1042087127 /nfs/dbraw/zinc/08/71/27/1042087127.db2.gz RSCWXUMYMUKVJX-NWDGAFQWSA-N 2 1 396.284 3.745 20 0 GHADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccccc3OCCO)C[C@@H]21 ZINC001237200863 1042089809 /nfs/dbraw/zinc/08/98/09/1042089809.db2.gz OYLCDYYHKMFECU-FIXSFTCYSA-N 2 1 380.532 3.668 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccccc3OCCO)C[C@@H]21 ZINC001237200863 1042089814 /nfs/dbraw/zinc/08/98/14/1042089814.db2.gz OYLCDYYHKMFECU-FIXSFTCYSA-N 2 1 380.532 3.668 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3OCCO)C[C@@H]21 ZINC001237200863 1042089819 /nfs/dbraw/zinc/08/98/19/1042089819.db2.gz OYLCDYYHKMFECU-FIXSFTCYSA-N 2 1 380.532 3.668 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccc3OCCO)C[C@@H]21 ZINC001237200863 1042089827 /nfs/dbraw/zinc/08/98/27/1042089827.db2.gz OYLCDYYHKMFECU-FIXSFTCYSA-N 2 1 380.532 3.668 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001237311255 1042139369 /nfs/dbraw/zinc/13/93/69/1042139369.db2.gz QMHPZXJFJXHYBA-SFTDATJTSA-N 2 1 389.499 3.518 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1ccc(Cl)c(I)c1)CC2 ZINC001237358135 1042167271 /nfs/dbraw/zinc/16/72/71/1042167271.db2.gz CPMACQMSDSWYCQ-CQSZACIVSA-N 2 1 390.696 3.648 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cnc(Cl)c(F)c1)CC2 ZINC001237399408 1042191293 /nfs/dbraw/zinc/19/12/93/1042191293.db2.gz AYWYBUQCALJHFR-MRXNPFEDSA-N 2 1 393.890 3.723 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CCN(Cc3cccc4nccc(C)c34)CC2)CC1 ZINC001237627635 1042293936 /nfs/dbraw/zinc/29/39/36/1042293936.db2.gz VCPLOJDBWYEYAQ-UHFFFAOYSA-N 2 1 395.547 3.783 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001237697230 1042329443 /nfs/dbraw/zinc/32/94/43/1042329443.db2.gz ZYEAYNNTEVEQRS-SESVDKBCSA-N 2 1 383.561 3.580 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001237697230 1042329448 /nfs/dbraw/zinc/32/94/48/1042329448.db2.gz ZYEAYNNTEVEQRS-SESVDKBCSA-N 2 1 383.561 3.580 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001237697230 1042329452 /nfs/dbraw/zinc/32/94/52/1042329452.db2.gz ZYEAYNNTEVEQRS-SESVDKBCSA-N 2 1 383.561 3.580 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@@H]21 ZINC001237697230 1042329460 /nfs/dbraw/zinc/32/94/60/1042329460.db2.gz ZYEAYNNTEVEQRS-SESVDKBCSA-N 2 1 383.561 3.580 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4CN(c5ccccc5)C(=O)[C@H]4C3)cc21 ZINC001237878958 1042406722 /nfs/dbraw/zinc/40/67/22/1042406722.db2.gz SVLYJNVNHLRFQT-REWPJTCUSA-N 2 1 387.527 3.783 20 0 GHADMP CCOC(=O)c1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001237887397 1042410851 /nfs/dbraw/zinc/41/08/51/1042410851.db2.gz MMHHKTZJPLBTML-UHFFFAOYSA-N 2 1 382.504 3.944 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)ncn1 ZINC001237889381 1042411446 /nfs/dbraw/zinc/41/14/46/1042411446.db2.gz KYTGYGKCSYTMHV-HXUWFJFHSA-N 2 1 378.520 3.830 20 0 GHADMP COc1c(C)cnc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1C ZINC001238176251 1042509540 /nfs/dbraw/zinc/50/95/40/1042509540.db2.gz NBSWYGLLWWEAAC-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1C1CC1 ZINC001238501083 1042621603 /nfs/dbraw/zinc/62/16/03/1042621603.db2.gz KKTXWIBMNAAGRV-ZJSXRUAMSA-N 2 1 395.522 3.821 20 0 GHADMP CCOc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)cn1 ZINC001238724414 1042702992 /nfs/dbraw/zinc/70/29/92/1042702992.db2.gz HHPLVGKDRUPMOM-UHFFFAOYSA-N 2 1 384.499 3.503 20 0 GHADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccnc(N4CC[NH+](C)CC4)c3)cc12 ZINC001238820420 1042738644 /nfs/dbraw/zinc/73/86/44/1042738644.db2.gz DQPQRPQIVYMRDT-OAQYLSRUSA-N 2 1 389.547 3.618 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-c2cnc(N3CC[NH2+]CC3)c(C)c2)nc1 ZINC001239730026 1042847058 /nfs/dbraw/zinc/84/70/58/1042847058.db2.gz OSULHXUHOCTCFB-QFIPXVFZSA-N 2 1 379.552 3.799 20 0 GHADMP [NH3+]Cc1cncc(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001239791661 1042850922 /nfs/dbraw/zinc/85/09/22/1042850922.db2.gz QWIJOGICWCWVOK-UHFFFAOYSA-N 2 1 379.533 3.687 20 0 GHADMP C[NH+]1CCN(Cc2cccc(-c3ccc4c(c3)C3(CC4)CC[NH2+]CC3)c2)CC1 ZINC001240292960 1042919183 /nfs/dbraw/zinc/91/91/83/1042919183.db2.gz SICVKDQAGWUZHU-UHFFFAOYSA-N 2 1 375.560 3.668 20 0 GHADMP CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2ccc(C[NH+]3CCOCC3)cc2)n1C ZINC001240474863 1042934060 /nfs/dbraw/zinc/93/40/60/1042934060.db2.gz YXMXOPNNBJVMJR-UHFFFAOYSA-N 2 1 393.487 3.558 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)CCN1C(=O)OC(C)(C)C ZINC001462672834 1070460694 /nfs/dbraw/zinc/46/06/94/1070460694.db2.gz VWTMGEXCKZNVCN-NNLJWKLDSA-N 2 1 391.600 3.830 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2C[C@@]34C[N@H+](C)C[C@]3(C2)CCCC4)CCN1C(=O)OC(C)(C)C ZINC001462672834 1070460695 /nfs/dbraw/zinc/46/06/95/1070460695.db2.gz VWTMGEXCKZNVCN-NNLJWKLDSA-N 2 1 391.600 3.830 20 0 GHADMP C[C@@H]1C[C@H](C[NH+]2C[C@@]34C[N@@H+](C)C[C@]3(C2)CCCC4)CCN1C(=O)OC(C)(C)C ZINC001462672834 1070460699 /nfs/dbraw/zinc/46/06/99/1070460699.db2.gz VWTMGEXCKZNVCN-NNLJWKLDSA-N 2 1 391.600 3.830 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256522826 1043446445 /nfs/dbraw/zinc/44/64/45/1043446445.db2.gz KDVGHYNUHSDHSK-AUSIDOKSSA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256522826 1043446466 /nfs/dbraw/zinc/44/64/66/1043446466.db2.gz KDVGHYNUHSDHSK-AUSIDOKSSA-N 2 1 380.532 3.935 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525457 1043453763 /nfs/dbraw/zinc/45/37/63/1043453763.db2.gz ZVINCHNBCIZHQC-FMWKFLBASA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525457 1043453767 /nfs/dbraw/zinc/45/37/67/1043453767.db2.gz ZVINCHNBCIZHQC-FMWKFLBASA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534540 1043469835 /nfs/dbraw/zinc/46/98/35/1043469835.db2.gz RXOBKBTVKOXPNL-SIKLNZKXSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256534540 1043469847 /nfs/dbraw/zinc/46/98/47/1043469847.db2.gz RXOBKBTVKOXPNL-SIKLNZKXSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@@H]1C[C@@H](N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256534583 1043470820 /nfs/dbraw/zinc/47/08/20/1043470820.db2.gz SIPAUUVZYYAUSV-NMIHRBCNSA-N 2 1 379.552 3.606 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256536120 1043479180 /nfs/dbraw/zinc/47/91/80/1043479180.db2.gz FJHAYQPYGDJMOX-RDPSFJRHSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256536120 1043479196 /nfs/dbraw/zinc/47/91/96/1043479196.db2.gz FJHAYQPYGDJMOX-RDPSFJRHSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ncccc3F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256538622 1043487449 /nfs/dbraw/zinc/48/74/49/1043487449.db2.gz UMKVREJPFBZFNO-TZIWHRDSSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539559 1043487791 /nfs/dbraw/zinc/48/77/91/1043487791.db2.gz DECHCHFZFXPNBR-PVSGBFIBSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539559 1043487802 /nfs/dbraw/zinc/48/78/02/1043487802.db2.gz DECHCHFZFXPNBR-PVSGBFIBSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001256539559 1043487810 /nfs/dbraw/zinc/48/78/10/1043487810.db2.gz DECHCHFZFXPNBR-PVSGBFIBSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001256539559 1043487815 /nfs/dbraw/zinc/48/78/15/1043487815.db2.gz DECHCHFZFXPNBR-PVSGBFIBSA-N 2 1 381.564 3.515 20 0 GHADMP CC[C@@H]1[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547843 1043509539 /nfs/dbraw/zinc/50/95/39/1043509539.db2.gz VVFAGWUQAJYJHS-LTYHASHMSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547843 1043509554 /nfs/dbraw/zinc/50/95/54/1043509554.db2.gz VVFAGWUQAJYJHS-LTYHASHMSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547843 1043509561 /nfs/dbraw/zinc/50/95/61/1043509561.db2.gz VVFAGWUQAJYJHS-LTYHASHMSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547843 1043509570 /nfs/dbraw/zinc/50/95/70/1043509570.db2.gz VVFAGWUQAJYJHS-LTYHASHMSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256549978 1043512100 /nfs/dbraw/zinc/51/21/00/1043512100.db2.gz KLHUEISPZOMZDB-AUSIDOKSSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256549978 1043512111 /nfs/dbraw/zinc/51/21/11/1043512111.db2.gz KLHUEISPZOMZDB-AUSIDOKSSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](n2c3ccccc3nc2N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256559709 1043534412 /nfs/dbraw/zinc/53/44/12/1043534412.db2.gz NHEJWRKXTLOBIS-CTNGQTDRSA-N 2 1 389.547 3.672 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC1 ZINC001256571464 1043545105 /nfs/dbraw/zinc/54/51/05/1043545105.db2.gz HKSXASXBRBJCIC-XMMPIXPASA-N 2 1 381.564 3.650 20 0 GHADMP Cc1cccc(CN2C(=O)CCC23CC[NH+](C2CC[NH+](C(C)(C)C)CC2)CC3)n1 ZINC001256573244 1043546562 /nfs/dbraw/zinc/54/65/62/1043546562.db2.gz LDEXPFNEWUTJHJ-UHFFFAOYSA-N 2 1 398.595 3.610 20 0 GHADMP O=C1CCC2(CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)N1CC1CC1 ZINC001256596989 1043561633 /nfs/dbraw/zinc/56/16/33/1043561633.db2.gz JWEBFTRANUTQKD-UHFFFAOYSA-N 2 1 395.591 3.954 20 0 GHADMP C[C@@H]1[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256596095 1043562329 /nfs/dbraw/zinc/56/23/29/1043562329.db2.gz UNJTXBLRAGBNLK-QUCCMNQESA-N 2 1 387.568 3.886 20 0 GHADMP COc1cccc(CN2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001256601302 1043564653 /nfs/dbraw/zinc/56/46/53/1043564653.db2.gz SDUXCHYLDYAGIA-UHFFFAOYSA-N 2 1 393.575 3.914 20 0 GHADMP Cc1cccc(C2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCOCC2)n1 ZINC001256602027 1043566179 /nfs/dbraw/zinc/56/61/79/1043566179.db2.gz NPBDOBGFJKOWMD-UHFFFAOYSA-N 2 1 379.548 3.692 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001256605208 1043568539 /nfs/dbraw/zinc/56/85/39/1043568539.db2.gz XXRSKQSBJXSGQR-NNWRFLSQSA-N 2 1 397.563 3.662 20 0 GHADMP C[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001292057131 1043577890 /nfs/dbraw/zinc/57/78/90/1043577890.db2.gz IZLNNLSSPBJUDB-OAQYLSRUSA-N 2 1 393.575 3.578 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCO[C@@H](c4ccccc4)C2)CC3)cn1 ZINC001256809908 1043665553 /nfs/dbraw/zinc/66/55/53/1043665553.db2.gz KESCHQLAYNCRQX-XZOQPEGZSA-N 2 1 394.563 3.771 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCO[C@@H](c4ccccc4)C2)CC3)cn1 ZINC001256809908 1043665558 /nfs/dbraw/zinc/66/55/58/1043665558.db2.gz KESCHQLAYNCRQX-XZOQPEGZSA-N 2 1 394.563 3.771 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001256837986 1043688202 /nfs/dbraw/zinc/68/82/02/1043688202.db2.gz NCGGSJBCIMOTFJ-INIZCTEOSA-N 2 1 388.353 3.811 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C[N@H+]2C1 ZINC001292377676 1043710381 /nfs/dbraw/zinc/71/03/81/1043710381.db2.gz GBNMDLFDYFWWDT-UEVCKROQSA-N 2 1 383.580 3.799 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)[C@H](C)C1 ZINC001256886218 1043723127 /nfs/dbraw/zinc/72/31/27/1043723127.db2.gz JRDYMBDPCDWGAU-CRAIPNDOSA-N 2 1 384.490 3.778 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)C[C@@H]2C1 ZINC001256894893 1043728139 /nfs/dbraw/zinc/72/81/39/1043728139.db2.gz NVWYGPCCYHQBBV-ZSYWTGECSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)C[C@@H]2C1 ZINC001256894893 1043728149 /nfs/dbraw/zinc/72/81/49/1043728149.db2.gz NVWYGPCCYHQBBV-ZSYWTGECSA-N 2 1 377.573 3.629 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1)c1ccc(F)cc1 ZINC001256906513 1043732863 /nfs/dbraw/zinc/73/28/63/1043732863.db2.gz RIVREVOMOTUBGM-ACRUOGEOSA-N 2 1 387.543 3.863 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1)c1ccc(F)cc1 ZINC001256906513 1043732877 /nfs/dbraw/zinc/73/28/77/1043732877.db2.gz RIVREVOMOTUBGM-ACRUOGEOSA-N 2 1 387.543 3.863 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256950610 1043769382 /nfs/dbraw/zinc/76/93/82/1043769382.db2.gz HZVUUXJTTUXQAA-PLACYPQZSA-N 2 1 385.552 3.621 20 0 GHADMP CCCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292563472 1043789202 /nfs/dbraw/zinc/78/92/02/1043789202.db2.gz SEXIUSKWWSEAQA-GGAORHGYSA-N 2 1 394.563 3.657 20 0 GHADMP CCCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292563472 1043789206 /nfs/dbraw/zinc/78/92/06/1043789206.db2.gz SEXIUSKWWSEAQA-GGAORHGYSA-N 2 1 394.563 3.657 20 0 GHADMP CCCCc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](COCCOC)CC[C@@H]3C2)s1 ZINC001278990415 1043844703 /nfs/dbraw/zinc/84/47/03/1043844703.db2.gz YYJVXBYLRSHXRZ-KDURUIRLSA-N 2 1 380.598 3.855 20 0 GHADMP CCCCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](COCCOC)CC[C@@H]3C2)s1 ZINC001278990415 1043844723 /nfs/dbraw/zinc/84/47/23/1043844723.db2.gz YYJVXBYLRSHXRZ-KDURUIRLSA-N 2 1 380.598 3.855 20 0 GHADMP CCCCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](COCCOC)CC[C@@H]3C2)s1 ZINC001278990415 1043844746 /nfs/dbraw/zinc/84/47/46/1043844746.db2.gz YYJVXBYLRSHXRZ-KDURUIRLSA-N 2 1 380.598 3.855 20 0 GHADMP C[NH+](C)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC001292757183 1043864397 /nfs/dbraw/zinc/86/43/97/1043864397.db2.gz HAUABCXFCOXUBY-NRFANRHFSA-N 2 1 393.575 3.898 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257154116 1043902579 /nfs/dbraw/zinc/90/25/79/1043902579.db2.gz LAWHPTKULZVAGM-SXSPYAJSSA-N 2 1 395.547 3.961 20 0 GHADMP CC[C@@H]1[N@H+](C2CC[NH+](CC(C)C)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001258011689 1044336218 /nfs/dbraw/zinc/33/62/18/1044336218.db2.gz KMQMBUUWBUFUKQ-GMAHTHKFSA-N 2 1 375.601 3.752 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141014 1044427372 /nfs/dbraw/zinc/42/73/72/1044427372.db2.gz RFXYCOSAYXEXCK-FQEVSTJZSA-N 2 1 380.532 3.640 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143654 1044429194 /nfs/dbraw/zinc/42/91/94/1044429194.db2.gz OKWCQRAVUIRRTQ-UPVQGACJSA-N 2 1 386.580 3.601 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143654 1044429200 /nfs/dbraw/zinc/42/92/00/1044429200.db2.gz OKWCQRAVUIRRTQ-UPVQGACJSA-N 2 1 386.580 3.601 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC001258149128 1044438825 /nfs/dbraw/zinc/43/88/25/1044438825.db2.gz ZDIRPBLZBAQOPD-AOYPEHQESA-N 2 1 389.587 3.900 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC001258149128 1044438832 /nfs/dbraw/zinc/43/88/32/1044438832.db2.gz ZDIRPBLZBAQOPD-AOYPEHQESA-N 2 1 389.587 3.900 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)CCSC)CC2 ZINC001258217523 1044473810 /nfs/dbraw/zinc/47/38/10/1044473810.db2.gz ORKXUQJJMSFCOG-IAGOWNOFSA-N 2 1 383.627 3.588 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H](C)CCSC)CC2 ZINC001258218073 1044475896 /nfs/dbraw/zinc/47/58/96/1044475896.db2.gz URYXMEJBEZXLMX-ICSRJNTNSA-N 2 1 377.598 3.526 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCN(c2cccc(F)c2)CC1 ZINC001258421520 1044553662 /nfs/dbraw/zinc/55/36/62/1044553662.db2.gz GPBISOBXOXWONB-NRFANRHFSA-N 2 1 389.559 3.806 20 0 GHADMP CC1(C)COC2(CCC([NH+]3C[C@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)CC2)OC1 ZINC001258524048 1044601223 /nfs/dbraw/zinc/60/12/23/1044601223.db2.gz UFSNBNDRDFYEFL-QZTJIDSGSA-N 2 1 390.593 3.824 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2CCN(c3ccccc3Cl)CC2)CC1 ZINC001258544552 1044620949 /nfs/dbraw/zinc/62/09/49/1044620949.db2.gz LHXBFVJNYRZVPD-FQEVSTJZSA-N 2 1 391.987 3.884 20 0 GHADMP C[C@@H](Cc1cccnc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001258626016 1044674340 /nfs/dbraw/zinc/67/43/40/1044674340.db2.gz WNTANJULDBMHLM-ICSRJNTNSA-N 2 1 385.577 3.830 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001258697726 1044719858 /nfs/dbraw/zinc/71/98/58/1044719858.db2.gz SJJSMVTZMPVZHA-CWJKEVGVSA-N 2 1 375.601 3.608 20 0 GHADMP CCC[NH+]1CCC(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258774989 1044759366 /nfs/dbraw/zinc/75/93/66/1044759366.db2.gz WARXNUQTPFSYSD-HSZRJFAPSA-N 2 1 385.596 3.616 20 0 GHADMP CCC[NH+]1CCC([N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001258777861 1044761119 /nfs/dbraw/zinc/76/11/19/1044761119.db2.gz LDOPVLAQKROOBS-SFHVURJKSA-N 2 1 379.589 3.972 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001258777861 1044761132 /nfs/dbraw/zinc/76/11/32/1044761132.db2.gz LDOPVLAQKROOBS-SFHVURJKSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](C(CC(C)C)CC(C)C)CCC2 ZINC001258834746 1044779422 /nfs/dbraw/zinc/77/94/22/1044779422.db2.gz MHDJCIVXBBVIJP-UHFFFAOYSA-N 2 1 376.589 3.752 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])cc(OC)c1OC ZINC001258861509 1044800070 /nfs/dbraw/zinc/80/00/70/1044800070.db2.gz GBWXTTIJJFMTFX-QZTJIDSGSA-N 2 1 386.536 3.740 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC001258909515 1044863786 /nfs/dbraw/zinc/86/37/86/1044863786.db2.gz FYLOLAVQLQOSMX-AUSIDOKSSA-N 2 1 387.568 3.635 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001298378657 1045790643 /nfs/dbraw/zinc/79/06/43/1045790643.db2.gz MSZBSPXHKCIZAH-GOTSBHOMSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001298378657 1045790661 /nfs/dbraw/zinc/79/06/61/1045790661.db2.gz MSZBSPXHKCIZAH-GOTSBHOMSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001298378657 1045790673 /nfs/dbraw/zinc/79/06/73/1045790673.db2.gz MSZBSPXHKCIZAH-GOTSBHOMSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]([NH3+])c1ccccc1 ZINC001261502749 1046012057 /nfs/dbraw/zinc/01/20/57/1046012057.db2.gz XDSWUOYZDRWXPU-ZHRRBRCNSA-N 2 1 391.519 3.823 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262257830 1046222644 /nfs/dbraw/zinc/22/26/44/1046222644.db2.gz UDTLZNYBTQAYEV-MANSERQUSA-N 2 1 379.589 3.922 20 0 GHADMP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001304001647 1047558503 /nfs/dbraw/zinc/55/85/03/1047558503.db2.gz FBHVDDDCCIAAPR-OFNKIYASSA-N 2 1 385.596 3.518 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001304001647 1047558507 /nfs/dbraw/zinc/55/85/07/1047558507.db2.gz FBHVDDDCCIAAPR-OFNKIYASSA-N 2 1 385.596 3.518 20 0 GHADMP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(F)cc3Br)(C1)CCC2 ZINC001279382024 1047786902 /nfs/dbraw/zinc/78/69/02/1047786902.db2.gz WBFWXZQDPOQMAP-RBUKOAKNSA-N 2 1 398.364 3.674 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279477326 1047819473 /nfs/dbraw/zinc/81/94/73/1047819473.db2.gz MBUMUTXLGCCMJJ-LJQANCHMSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C)(C[NH+]2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279477326 1047819485 /nfs/dbraw/zinc/81/94/85/1047819485.db2.gz MBUMUTXLGCCMJJ-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C)(C[NH+]2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279477326 1047819502 /nfs/dbraw/zinc/81/95/02/1047819502.db2.gz MBUMUTXLGCCMJJ-LJQANCHMSA-N 3 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+]2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279477326 1047819516 /nfs/dbraw/zinc/81/95/16/1047819516.db2.gz MBUMUTXLGCCMJJ-LJQANCHMSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279477326 1047819521 /nfs/dbraw/zinc/81/95/21/1047819521.db2.gz MBUMUTXLGCCMJJ-LJQANCHMSA-N 2 1 375.523 3.849 20 0 GHADMP Brc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cs1 ZINC001279505592 1047827623 /nfs/dbraw/zinc/82/76/23/1047827623.db2.gz QVFAMDMCGXPTPZ-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP Brc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cs1 ZINC001279505592 1047827635 /nfs/dbraw/zinc/82/76/35/1047827635.db2.gz QVFAMDMCGXPTPZ-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001279664139 1047903848 /nfs/dbraw/zinc/90/38/48/1047903848.db2.gz UFRXFKYYVDMMIT-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP CSc1cc(C)cc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c1 ZINC001280166672 1048113073 /nfs/dbraw/zinc/11/30/73/1048113073.db2.gz AXCFFMQTNAHJIL-JOCHJYFZSA-N 2 1 375.626 3.957 20 0 GHADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)c1 ZINC001280312642 1048178560 /nfs/dbraw/zinc/17/85/60/1048178560.db2.gz GDLYNCSOHVEDGS-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(Cl)c1 ZINC001280312642 1048178569 /nfs/dbraw/zinc/17/85/69/1048178569.db2.gz GDLYNCSOHVEDGS-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1C(F)(F)F ZINC001288762204 1049220792 /nfs/dbraw/zinc/22/07/92/1049220792.db2.gz NMAXTCZMODEWAQ-GOSISDBHSA-N 2 1 389.437 3.918 20 0 GHADMP COC(=O)c1ccc(OC)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001307453474 1049289144 /nfs/dbraw/zinc/28/91/44/1049289144.db2.gz YBDHYQFQCDBMME-UHFFFAOYSA-N 2 1 396.531 3.826 20 0 GHADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC001307627082 1049459630 /nfs/dbraw/zinc/45/96/30/1049459630.db2.gz UIUOJVFAWIRIRQ-VWNXMTODSA-N 2 1 384.564 3.887 20 0 GHADMP COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC001307627082 1049459641 /nfs/dbraw/zinc/45/96/41/1049459641.db2.gz UIUOJVFAWIRIRQ-VWNXMTODSA-N 2 1 384.564 3.887 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H]3CCN(c4ccc(C)cc4)C3=O)C2)s1 ZINC001307750354 1049564272 /nfs/dbraw/zinc/56/42/72/1049564272.db2.gz IJJLBTWYSMAHCI-SIKLNZKXSA-N 2 1 397.588 3.924 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2ccc(Oc3ccccc3)cc2)CCO1 ZINC001307962791 1049725566 /nfs/dbraw/zinc/72/55/66/1049725566.db2.gz INFVPCQNJXKCKH-QHCPKHFHSA-N 2 1 384.520 3.900 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2ccc(Oc3ccccc3)cc2)CCO1 ZINC001307962791 1049725567 /nfs/dbraw/zinc/72/55/67/1049725567.db2.gz INFVPCQNJXKCKH-QHCPKHFHSA-N 2 1 384.520 3.900 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)c(C)c1 ZINC001308089227 1049835554 /nfs/dbraw/zinc/83/55/54/1049835554.db2.gz LEXOLXDYNNWYTC-HXUWFJFHSA-N 2 1 380.536 3.936 20 0 GHADMP CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CCCc1c[nH+]cn1C)CC2 ZINC001308151788 1049888437 /nfs/dbraw/zinc/88/84/37/1049888437.db2.gz YHIYKDVTUMZKQF-LJQANCHMSA-N 2 1 390.572 3.710 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)C[N@H+]2C1 ZINC001290687290 1049901186 /nfs/dbraw/zinc/90/11/86/1049901186.db2.gz LZYGHHSEUCYMBP-PMOQBDJRSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@@H]1CCC[C@](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC001308219283 1049916683 /nfs/dbraw/zinc/91/66/83/1049916683.db2.gz VXUBVHYIHZARLC-VKJFTORMSA-N 2 1 395.510 3.932 20 0 GHADMP C[C@@H]1CCC[C@](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC001308219281 1049916840 /nfs/dbraw/zinc/91/68/40/1049916840.db2.gz VXUBVHYIHZARLC-RKVPGOIHSA-N 2 1 395.510 3.932 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC001308247045 1049925684 /nfs/dbraw/zinc/92/56/84/1049925684.db2.gz PTDAJKFCYFZCAC-UKILVPOCSA-N 2 1 394.559 3.899 20 0 GHADMP COCc1c(C)cc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1C ZINC001308459766 1049981198 /nfs/dbraw/zinc/98/11/98/1049981198.db2.gz XESQTUOXNOEASP-JOCHJYFZSA-N 2 1 382.548 3.615 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001308547696 1050005096 /nfs/dbraw/zinc/00/50/96/1050005096.db2.gz DTNDUZUQIMZACZ-DYXWJJEUSA-N 2 1 395.513 3.903 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC[NH+](Cc2ccccc2)C1 ZINC001308693414 1050061313 /nfs/dbraw/zinc/06/13/13/1050061313.db2.gz TWXBHTBSYURXBA-IBPRQYQWSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC001308693414 1050061316 /nfs/dbraw/zinc/06/13/16/1050061316.db2.gz TWXBHTBSYURXBA-IBPRQYQWSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001308693414 1050061321 /nfs/dbraw/zinc/06/13/21/1050061321.db2.gz TWXBHTBSYURXBA-IBPRQYQWSA-N 2 1 383.580 3.511 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001308976969 1050237611 /nfs/dbraw/zinc/23/76/11/1050237611.db2.gz FVYGQYRBQFRPGI-SLHNCBLASA-N 2 1 379.589 3.684 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(OCc2cccnc2)c1 ZINC001308978187 1050239309 /nfs/dbraw/zinc/23/93/09/1050239309.db2.gz QFGDLYMFUBJVQB-NNWRFLSQSA-N 2 1 395.547 3.831 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019094 1051634377 /nfs/dbraw/zinc/63/43/77/1051634377.db2.gz LELQTTMOSFSCHA-JYSSUKAJSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001333019094 1051634386 /nfs/dbraw/zinc/63/43/86/1051634386.db2.gz LELQTTMOSFSCHA-JYSSUKAJSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001333019094 1051634396 /nfs/dbraw/zinc/63/43/96/1051634396.db2.gz LELQTTMOSFSCHA-JYSSUKAJSA-N 2 1 398.591 3.772 20 0 GHADMP C[N@H+]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1(C)C ZINC001310920646 1051707208 /nfs/dbraw/zinc/70/72/08/1051707208.db2.gz NMUZRZIAHHBABI-UHFFFAOYSA-N 2 1 390.597 3.823 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC001311397033 1052092223 /nfs/dbraw/zinc/09/22/23/1052092223.db2.gz COGPVDDKSTZEAT-SJBKTWHCSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311397033 1052092237 /nfs/dbraw/zinc/09/22/37/1052092237.db2.gz COGPVDDKSTZEAT-SJBKTWHCSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001311397033 1052092251 /nfs/dbraw/zinc/09/22/51/1052092251.db2.gz COGPVDDKSTZEAT-SJBKTWHCSA-N 2 1 388.600 3.563 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001311401178 1052103535 /nfs/dbraw/zinc/10/35/35/1052103535.db2.gz VQUAULXZNMCPKP-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001311656829 1052307157 /nfs/dbraw/zinc/30/71/57/1052307157.db2.gz WPUANKGRHNOXNQ-IRLDBZIGSA-N 2 1 388.600 3.879 20 0 GHADMP O=C(CC[NH2+][C@H]1CCn2c[nH+]cc2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC001336821029 1052343437 /nfs/dbraw/zinc/34/34/37/1052343437.db2.gz XXWTVDARYGCOHL-SFHVURJKSA-N 2 1 376.460 3.609 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001312167652 1052612412 /nfs/dbraw/zinc/61/24/12/1052612412.db2.gz BJSUDOKSSQLGJB-RBKXMNCYSA-N 2 1 398.595 3.872 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001312598757 1052805780 /nfs/dbraw/zinc/80/57/80/1052805780.db2.gz RWHXKPVIYLZGMG-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001312598757 1052805786 /nfs/dbraw/zinc/80/57/86/1052805786.db2.gz RWHXKPVIYLZGMG-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001312598757 1052805794 /nfs/dbraw/zinc/80/57/94/1052805794.db2.gz RWHXKPVIYLZGMG-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001312598757 1052805798 /nfs/dbraw/zinc/80/57/98/1052805798.db2.gz RWHXKPVIYLZGMG-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001312648267 1052825537 /nfs/dbraw/zinc/82/55/37/1052825537.db2.gz LEFWNFNDPKJTKM-XZOQPEGZSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312648267 1052825542 /nfs/dbraw/zinc/82/55/42/1052825542.db2.gz LEFWNFNDPKJTKM-XZOQPEGZSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC001312648267 1052825548 /nfs/dbraw/zinc/82/55/48/1052825548.db2.gz LEFWNFNDPKJTKM-XZOQPEGZSA-N 2 1 398.595 3.555 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001312649060 1052825967 /nfs/dbraw/zinc/82/59/67/1052825967.db2.gz TWGQJFZJYMJMGE-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC001312649060 1052825973 /nfs/dbraw/zinc/82/59/73/1052825973.db2.gz TWGQJFZJYMJMGE-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001312649060 1052825976 /nfs/dbraw/zinc/82/59/76/1052825976.db2.gz TWGQJFZJYMJMGE-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001312803138 1052875471 /nfs/dbraw/zinc/87/54/71/1052875471.db2.gz UBGYJAOXJVHRPR-PMACEKPBSA-N 2 1 380.621 3.793 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001312803138 1052875475 /nfs/dbraw/zinc/87/54/75/1052875475.db2.gz UBGYJAOXJVHRPR-PMACEKPBSA-N 2 1 380.621 3.793 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001312803138 1052875479 /nfs/dbraw/zinc/87/54/79/1052875479.db2.gz UBGYJAOXJVHRPR-PMACEKPBSA-N 2 1 380.621 3.793 20 0 GHADMP CC1(C)CN(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001313376047 1053036337 /nfs/dbraw/zinc/03/63/37/1053036337.db2.gz RHJZOZOIOWXTRR-UHFFFAOYSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001313450580 1053058389 /nfs/dbraw/zinc/05/83/89/1053058389.db2.gz ZKFUKRNNMYZXTI-IBGZPJMESA-N 2 1 390.620 3.587 20 0 GHADMP CCC[NH+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001313450580 1053058403 /nfs/dbraw/zinc/05/84/03/1053058403.db2.gz ZKFUKRNNMYZXTI-IBGZPJMESA-N 2 1 390.620 3.587 20 0 GHADMP CCC[NH+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001313450580 1053058414 /nfs/dbraw/zinc/05/84/14/1053058414.db2.gz ZKFUKRNNMYZXTI-IBGZPJMESA-N 2 1 390.620 3.587 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001318106203 1054415431 /nfs/dbraw/zinc/41/54/31/1054415431.db2.gz SKLCWRRLHFAUBB-NRFANRHFSA-N 2 1 378.520 3.528 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001318395419 1054609693 /nfs/dbraw/zinc/60/96/93/1054609693.db2.gz FGVBCSJFYXKWKA-BVYCBKJFSA-N 2 1 386.584 3.591 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc2c(c1)CCO2 ZINC001319190148 1055088497 /nfs/dbraw/zinc/08/84/97/1055088497.db2.gz MULQCMWYLLSLIZ-QHCPKHFHSA-N 2 1 379.548 3.610 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001321828360 1056411097 /nfs/dbraw/zinc/41/10/97/1056411097.db2.gz XJYWOUTYOKFJQV-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC001300723903 1056950213 /nfs/dbraw/zinc/95/02/13/1056950213.db2.gz OAFWHWAWSNCYPS-BHDDXSALSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001300723903 1056950216 /nfs/dbraw/zinc/95/02/16/1056950216.db2.gz OAFWHWAWSNCYPS-BHDDXSALSA-N 2 1 385.596 3.771 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001300723903 1056950220 /nfs/dbraw/zinc/95/02/20/1056950220.db2.gz OAFWHWAWSNCYPS-BHDDXSALSA-N 2 1 385.596 3.771 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001300786681 1057025686 /nfs/dbraw/zinc/02/56/86/1057025686.db2.gz XRAFQPNJTAHMEH-RBBKRZOGSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)[NH+](C)C ZINC001325019081 1057264026 /nfs/dbraw/zinc/26/40/26/1057264026.db2.gz VWRRAXYAHWCWAA-VJBMBRPKSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)[NH+](C)C ZINC001325019081 1057264032 /nfs/dbraw/zinc/26/40/32/1057264032.db2.gz VWRRAXYAHWCWAA-VJBMBRPKSA-N 2 1 394.563 3.552 20 0 GHADMP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CCCCC1 ZINC001326409060 1057477553 /nfs/dbraw/zinc/47/75/53/1057477553.db2.gz RJVIJJWVDOMGJQ-LJQANCHMSA-N 2 1 398.378 3.982 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000848989512 1057493734 /nfs/dbraw/zinc/49/37/34/1057493734.db2.gz WCZDLJZUWYLWQR-UZKOGDIHSA-N 2 1 392.547 3.925 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000848989975 1057495182 /nfs/dbraw/zinc/49/51/82/1057495182.db2.gz PDKXENFCMPLXKD-ICSRJNTNSA-N 2 1 380.536 3.610 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000849064054 1057574485 /nfs/dbraw/zinc/57/44/85/1057574485.db2.gz YZBLSDGTOGLHQU-UHFFFAOYSA-N 2 1 396.535 3.869 20 0 GHADMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000849063299 1057574840 /nfs/dbraw/zinc/57/48/40/1057574840.db2.gz BQNDQWXUTOCQFP-LJQANCHMSA-N 2 1 394.519 3.696 20 0 GHADMP C[C@@]1(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000849075881 1057582843 /nfs/dbraw/zinc/58/28/43/1057582843.db2.gz OEEXSYKMQIGPNT-REWPJTCUSA-N 2 1 378.520 3.536 20 0 GHADMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3cc(F)ccc3F)CC2)cs1 ZINC000849080987 1057584573 /nfs/dbraw/zinc/58/45/73/1057584573.db2.gz BAOQSHKWBUFIRX-UHFFFAOYSA-N 2 1 393.507 3.832 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000849092629 1057592021 /nfs/dbraw/zinc/59/20/21/1057592021.db2.gz VLIUMMCHYTVSSK-FQEVSTJZSA-N 2 1 394.519 3.695 20 0 GHADMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000849095936 1057592499 /nfs/dbraw/zinc/59/24/99/1057592499.db2.gz TWJQUXXNQCOFEK-GOSISDBHSA-N 2 1 390.453 3.841 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001440865662 1058639131 /nfs/dbraw/zinc/63/91/31/1058639131.db2.gz RMJRJEJXEQWUGZ-DEOSSOPVSA-N 2 1 391.559 3.551 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001440865662 1058639140 /nfs/dbraw/zinc/63/91/40/1058639140.db2.gz RMJRJEJXEQWUGZ-DEOSSOPVSA-N 2 1 391.559 3.551 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001440865662 1058639153 /nfs/dbraw/zinc/63/91/53/1058639153.db2.gz RMJRJEJXEQWUGZ-DEOSSOPVSA-N 2 1 391.559 3.551 20 0 GHADMP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC001441245044 1058736143 /nfs/dbraw/zinc/73/61/43/1058736143.db2.gz UPIRDZJSUWCUSM-FCHUYYIVSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001441245044 1058736150 /nfs/dbraw/zinc/73/61/50/1058736150.db2.gz UPIRDZJSUWCUSM-FCHUYYIVSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001441245044 1058736165 /nfs/dbraw/zinc/73/61/65/1058736165.db2.gz UPIRDZJSUWCUSM-FCHUYYIVSA-N 2 1 383.580 3.594 20 0 GHADMP C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)cc2)CC1 ZINC001441642456 1058832366 /nfs/dbraw/zinc/83/23/66/1058832366.db2.gz KLDQOWMUBPBOJM-UHFFFAOYSA-N 2 1 391.519 3.685 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001442662711 1058990759 /nfs/dbraw/zinc/99/07/59/1058990759.db2.gz KTFVYQALTSGFDR-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001442662711 1058990762 /nfs/dbraw/zinc/99/07/62/1058990762.db2.gz KTFVYQALTSGFDR-QFIPXVFZSA-N 2 1 389.559 3.761 20 0 GHADMP C[NH2+]CCCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001340197465 1059757142 /nfs/dbraw/zinc/75/71/42/1059757142.db2.gz ZTLKVASVKYWWKS-UHFFFAOYSA-N 2 1 385.474 3.518 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)C1CCCCC1 ZINC001340774949 1060115210 /nfs/dbraw/zinc/11/52/10/1060115210.db2.gz WMGJZKKSSPSDCT-YSZBQJHXSA-N 2 1 399.579 3.937 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001449231213 1060359424 /nfs/dbraw/zinc/35/94/24/1060359424.db2.gz VSTAPUTZSMGLSA-QFIPXVFZSA-N 2 1 383.536 3.615 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001449231213 1060359442 /nfs/dbraw/zinc/35/94/42/1060359442.db2.gz VSTAPUTZSMGLSA-QFIPXVFZSA-N 2 1 383.536 3.615 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001449231213 1060359459 /nfs/dbraw/zinc/35/94/59/1060359459.db2.gz VSTAPUTZSMGLSA-QFIPXVFZSA-N 2 1 383.536 3.615 20 0 GHADMP Cc1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)ccc1OCC[NH+](C)C ZINC001451132474 1060741327 /nfs/dbraw/zinc/74/13/27/1060741327.db2.gz LRYNRFKDLIEUHZ-HXUWFJFHSA-N 2 1 389.927 3.830 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001342063730 1061035798 /nfs/dbraw/zinc/03/57/98/1061035798.db2.gz YMENUIDVUWAQEP-AZUAARDMSA-N 2 1 375.557 3.792 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001342063730 1061035811 /nfs/dbraw/zinc/03/58/11/1061035811.db2.gz YMENUIDVUWAQEP-AZUAARDMSA-N 2 1 375.557 3.792 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001454125239 1061620380 /nfs/dbraw/zinc/62/03/80/1061620380.db2.gz ZSWOLIMXVQPAMH-VXKWHMMOSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001454125239 1061620388 /nfs/dbraw/zinc/62/03/88/1061620388.db2.gz ZSWOLIMXVQPAMH-VXKWHMMOSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001454125239 1061620405 /nfs/dbraw/zinc/62/04/05/1061620405.db2.gz ZSWOLIMXVQPAMH-VXKWHMMOSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001454630938 1061890669 /nfs/dbraw/zinc/89/06/69/1061890669.db2.gz BSNOPUDOQMBTBJ-FGCOXFRFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CCCCC[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001454664622 1061905848 /nfs/dbraw/zinc/90/58/48/1061905848.db2.gz ANTIWKJQUCXTPF-LGKPFJOYSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001454664622 1061905854 /nfs/dbraw/zinc/90/58/54/1061905854.db2.gz ANTIWKJQUCXTPF-LGKPFJOYSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@H]3CCCCC[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001454664622 1061905858 /nfs/dbraw/zinc/90/58/58/1061905858.db2.gz ANTIWKJQUCXTPF-LGKPFJOYSA-N 2 1 383.580 3.668 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)CC1 ZINC001455897090 1062341783 /nfs/dbraw/zinc/34/17/83/1062341783.db2.gz VEHYYWGDHUEYRI-JOCHJYFZSA-N 2 1 383.580 3.826 20 0 GHADMP CC[C@@H]1CN(CC)CC[NH+]1CC[Si](C)(C)CC[N@@H+]1CCN(CC)C[C@H]1CC ZINC001348169831 1062944174 /nfs/dbraw/zinc/94/41/74/1062944174.db2.gz YZVUWOCLGLZDGZ-FGZHOGPDSA-N 2 1 396.740 3.527 20 0 GHADMP C[C@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]1CCC[NH2+]C1 ZINC001349488031 1063749692 /nfs/dbraw/zinc/74/96/92/1063749692.db2.gz ZLIYQVJSQDRDFV-IAGOWNOFSA-N 2 1 383.540 3.513 20 0 GHADMP C[C@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CCC[NH2+]C1 ZINC001349488033 1063750161 /nfs/dbraw/zinc/75/01/61/1063750161.db2.gz ZLIYQVJSQDRDFV-SJORKVTESA-N 2 1 383.540 3.513 20 0 GHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617440 1064145210 /nfs/dbraw/zinc/14/52/10/1064145210.db2.gz BOFNFCXUNBOTOE-UKILVPOCSA-N 2 1 378.560 3.849 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617440 1064145214 /nfs/dbraw/zinc/14/52/14/1064145214.db2.gz BOFNFCXUNBOTOE-UKILVPOCSA-N 2 1 378.560 3.849 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617440 1064145218 /nfs/dbraw/zinc/14/52/18/1064145218.db2.gz BOFNFCXUNBOTOE-UKILVPOCSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617440 1064145220 /nfs/dbraw/zinc/14/52/20/1064145220.db2.gz BOFNFCXUNBOTOE-UKILVPOCSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459617440 1064145224 /nfs/dbraw/zinc/14/52/24/1064145224.db2.gz BOFNFCXUNBOTOE-UKILVPOCSA-N 2 1 378.560 3.849 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(-c2ccccc2)no1 ZINC001350929439 1064220357 /nfs/dbraw/zinc/22/03/57/1064220357.db2.gz DKXJGCQWIHZPLE-GOSISDBHSA-N 2 1 376.504 3.944 20 0 GHADMP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001460064405 1064390875 /nfs/dbraw/zinc/39/08/75/1064390875.db2.gz JSHVWHFTLVKBLY-REWPJTCUSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001460064405 1064390890 /nfs/dbraw/zinc/39/08/90/1064390890.db2.gz JSHVWHFTLVKBLY-REWPJTCUSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001460064405 1064390910 /nfs/dbraw/zinc/39/09/10/1064390910.db2.gz JSHVWHFTLVKBLY-REWPJTCUSA-N 2 1 379.548 3.514 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001460064405 1064390919 /nfs/dbraw/zinc/39/09/19/1064390919.db2.gz JSHVWHFTLVKBLY-REWPJTCUSA-N 2 1 379.548 3.514 20 0 GHADMP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001464785323 1065210271 /nfs/dbraw/zinc/21/02/71/1065210271.db2.gz BVCQQHCNUTVADV-RPWUZVMVSA-N 2 1 391.559 3.852 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001464842352 1065239673 /nfs/dbraw/zinc/23/96/73/1065239673.db2.gz BKNPOOGGANYFQT-DEOSSOPVSA-N 2 1 399.623 3.960 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1CC[NH+]1C1CCCC1 ZINC001464847001 1065243127 /nfs/dbraw/zinc/24/31/27/1065243127.db2.gz PUEMMGAQHOEPGX-NHCUHLMSSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1CC[NH+]1C1CCCC1 ZINC001464847001 1065243139 /nfs/dbraw/zinc/24/31/39/1065243139.db2.gz PUEMMGAQHOEPGX-NHCUHLMSSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001464847001 1065243150 /nfs/dbraw/zinc/24/31/50/1065243150.db2.gz PUEMMGAQHOEPGX-NHCUHLMSSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@H]1CC[N@H+]1C1CCCC1 ZINC001464847001 1065243156 /nfs/dbraw/zinc/24/31/56/1065243156.db2.gz PUEMMGAQHOEPGX-NHCUHLMSSA-N 2 1 389.971 3.828 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001465484889 1065655681 /nfs/dbraw/zinc/65/56/81/1065655681.db2.gz RKBNKDSYZRYGFU-REWPJTCUSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001465484889 1065655717 /nfs/dbraw/zinc/65/57/17/1065655717.db2.gz RKBNKDSYZRYGFU-REWPJTCUSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001465484889 1065655733 /nfs/dbraw/zinc/65/57/33/1065655733.db2.gz RKBNKDSYZRYGFU-REWPJTCUSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C[N@@H+]2C1 ZINC001466950241 1066409170 /nfs/dbraw/zinc/40/91/70/1066409170.db2.gz PQTNKJASNAXHDY-UNEWFSDZSA-N 2 1 394.357 3.570 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C[N@H+]2C1 ZINC001466950241 1066409174 /nfs/dbraw/zinc/40/91/74/1066409174.db2.gz PQTNKJASNAXHDY-UNEWFSDZSA-N 2 1 394.357 3.570 20 0 GHADMP CC(C)[C@@H](CNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[NH+]1CCC(C)CC1 ZINC001467372915 1067257190 /nfs/dbraw/zinc/25/71/90/1067257190.db2.gz LAPDPUOQVSXQFT-HXUWFJFHSA-N 2 1 387.572 3.950 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC001467575242 1067367002 /nfs/dbraw/zinc/36/70/02/1067367002.db2.gz HDFBHKRLGIKXIH-NRFANRHFSA-N 2 1 392.632 3.987 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3nc(C4CC[NH2+]CC4)[nH]c3c2)o1 ZINC001358068489 1067385784 /nfs/dbraw/zinc/38/57/84/1067385784.db2.gz FUIUUTNMRWXXMB-UHFFFAOYSA-N 2 1 395.507 3.717 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001467629230 1067390926 /nfs/dbraw/zinc/39/09/26/1067390926.db2.gz FWWJKLYRCQYYBE-XLIONFOSSA-N 2 1 394.991 3.897 20 0 GHADMP C[N@H+]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCC1(C)C ZINC001477672451 1078519454 /nfs/dbraw/zinc/51/94/54/1078519454.db2.gz COESECWBJITAAX-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902349 1067520845 /nfs/dbraw/zinc/52/08/45/1067520845.db2.gz CBHCKPJWTZOGRI-ICSRJNTNSA-N 2 1 379.976 3.961 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902349 1067520854 /nfs/dbraw/zinc/52/08/54/1067520854.db2.gz CBHCKPJWTZOGRI-ICSRJNTNSA-N 2 1 379.976 3.961 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902349 1067520858 /nfs/dbraw/zinc/52/08/58/1067520858.db2.gz CBHCKPJWTZOGRI-ICSRJNTNSA-N 2 1 379.976 3.961 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC001477725781 1078543329 /nfs/dbraw/zinc/54/33/29/1078543329.db2.gz CCACTQMHMNEFSM-QFIPXVFZSA-N 2 1 388.600 3.707 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001468053822 1067581881 /nfs/dbraw/zinc/58/18/81/1067581881.db2.gz BIQBPGUBUYEXMF-NRFANRHFSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001468056619 1067582586 /nfs/dbraw/zinc/58/25/86/1067582586.db2.gz KFOQDJITNFHOQC-ZCNNSNEGSA-N 2 1 388.600 3.694 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c2ccccc2)CC1 ZINC001468175336 1067620576 /nfs/dbraw/zinc/62/05/76/1067620576.db2.gz NFNQRTZOAQRWHG-REWPJTCUSA-N 2 1 398.595 3.585 20 0 GHADMP C[N@H+]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC12CCCCC2 ZINC001468224997 1067638732 /nfs/dbraw/zinc/63/87/32/1067638732.db2.gz FRXOLZIFHYNAGQ-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122404 1067738011 /nfs/dbraw/zinc/73/80/11/1067738011.db2.gz DQVQYHYKXVUZHY-KIHHCIJBSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122404 1067738017 /nfs/dbraw/zinc/73/80/17/1067738017.db2.gz DQVQYHYKXVUZHY-KIHHCIJBSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122404 1067738021 /nfs/dbraw/zinc/73/80/21/1067738021.db2.gz DQVQYHYKXVUZHY-KIHHCIJBSA-N 2 1 396.575 3.762 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2CC2CCC3(CC2)OCCO3)cc1 ZINC000849122404 1067738025 /nfs/dbraw/zinc/73/80/25/1067738025.db2.gz DQVQYHYKXVUZHY-KIHHCIJBSA-N 2 1 396.575 3.762 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001468631127 1067797887 /nfs/dbraw/zinc/79/78/87/1067797887.db2.gz PPPRRUJLHIQLPH-SFTDATJTSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001468631127 1067797904 /nfs/dbraw/zinc/79/79/04/1067797904.db2.gz PPPRRUJLHIQLPH-SFTDATJTSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001468631127 1067797914 /nfs/dbraw/zinc/79/79/14/1067797914.db2.gz PPPRRUJLHIQLPH-SFTDATJTSA-N 2 1 378.605 3.737 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001468631492 1067798200 /nfs/dbraw/zinc/79/82/00/1067798200.db2.gz SQTPVWCCGLLQLL-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001468631492 1067798205 /nfs/dbraw/zinc/79/82/05/1067798205.db2.gz SQTPVWCCGLLQLL-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001468631492 1067798214 /nfs/dbraw/zinc/79/82/14/1067798214.db2.gz SQTPVWCCGLLQLL-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCCC[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001468721224 1067847814 /nfs/dbraw/zinc/84/78/14/1067847814.db2.gz SJWUXLLCGMKUAM-PNJWGLBASA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001468721224 1067847820 /nfs/dbraw/zinc/84/78/20/1067847820.db2.gz SJWUXLLCGMKUAM-PNJWGLBASA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001468721224 1067847824 /nfs/dbraw/zinc/84/78/24/1067847824.db2.gz SJWUXLLCGMKUAM-PNJWGLBASA-N 2 1 383.580 3.525 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC001468788752 1067882994 /nfs/dbraw/zinc/88/29/94/1067882994.db2.gz YECXECZVGQMGOQ-FPOVZHCZSA-N 2 1 380.621 3.793 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC001468831277 1067903976 /nfs/dbraw/zinc/90/39/76/1067903976.db2.gz MHUKNDXBVPFTEC-FPOVZHCZSA-N 2 1 386.584 3.774 20 0 GHADMP CCCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001470046518 1068540962 /nfs/dbraw/zinc/54/09/62/1068540962.db2.gz MIJBMIMYKXPFGW-IFMALSPDSA-N 2 1 388.600 3.803 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001470086940 1068565358 /nfs/dbraw/zinc/56/53/58/1068565358.db2.gz JHGWDPBJIWXPKB-RJGXRXQPSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001470086940 1068565374 /nfs/dbraw/zinc/56/53/74/1068565374.db2.gz JHGWDPBJIWXPKB-RJGXRXQPSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001470086940 1068565390 /nfs/dbraw/zinc/56/53/90/1068565390.db2.gz JHGWDPBJIWXPKB-RJGXRXQPSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC(C)C)CCCC1 ZINC001478161289 1078747999 /nfs/dbraw/zinc/74/79/99/1078747999.db2.gz WUNZUISCCGJQQL-FQEVSTJZSA-N 2 1 380.621 3.650 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](CC)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001478192460 1078760333 /nfs/dbraw/zinc/76/03/33/1078760333.db2.gz QZJBWHSBLAKWEH-VQTJNVASSA-N 2 1 394.991 3.897 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)C)cc1 ZINC001470386414 1068715095 /nfs/dbraw/zinc/71/50/95/1068715095.db2.gz AWPYSDOJIQETGL-GHTZIAJQSA-N 2 1 376.589 3.516 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148929 1068813577 /nfs/dbraw/zinc/81/35/77/1068813577.db2.gz CAKYFUDOTODDPR-XMMPIXPASA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148929 1068813590 /nfs/dbraw/zinc/81/35/90/1068813590.db2.gz CAKYFUDOTODDPR-XMMPIXPASA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148929 1068813600 /nfs/dbraw/zinc/81/36/00/1068813600.db2.gz CAKYFUDOTODDPR-XMMPIXPASA-N 2 1 399.579 3.898 20 0 GHADMP Cc1cccc([C@H](O)C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460317421 1068922941 /nfs/dbraw/zinc/92/29/41/1068922941.db2.gz KSQZDFDEPFQSFN-JXALWOEJSA-N 2 1 382.548 3.770 20 0 GHADMP Cc1cccc([C@H](O)C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460317421 1068922945 /nfs/dbraw/zinc/92/29/45/1068922945.db2.gz KSQZDFDEPFQSFN-JXALWOEJSA-N 2 1 382.548 3.770 20 0 GHADMP Cc1cccc([C@H](O)C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460317421 1068922947 /nfs/dbraw/zinc/92/29/47/1068922947.db2.gz KSQZDFDEPFQSFN-JXALWOEJSA-N 2 1 382.548 3.770 20 0 GHADMP Cc1cccc([C@@H](O)C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460317423 1068923037 /nfs/dbraw/zinc/92/30/37/1068923037.db2.gz KSQZDFDEPFQSFN-ROKPMTFOSA-N 2 1 382.548 3.770 20 0 GHADMP Cc1cccc([C@@H](O)C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460317423 1068923041 /nfs/dbraw/zinc/92/30/41/1068923041.db2.gz KSQZDFDEPFQSFN-ROKPMTFOSA-N 2 1 382.548 3.770 20 0 GHADMP Cc1cccc([C@@H](O)C[N@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460317423 1068923042 /nfs/dbraw/zinc/92/30/42/1068923042.db2.gz KSQZDFDEPFQSFN-ROKPMTFOSA-N 2 1 382.548 3.770 20 0 GHADMP CCCCNC(=O)CC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549584 1068992881 /nfs/dbraw/zinc/99/28/81/1068992881.db2.gz XLMDGKBCABLCHA-QHCPKHFHSA-N 2 1 385.596 3.915 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccc(F)cc3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001460633878 1069043522 /nfs/dbraw/zinc/04/35/22/1069043522.db2.gz ANGUKZJTZAWMFN-DNQXCXABSA-N 2 1 395.522 3.998 20 0 GHADMP CN(CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001460801784 1069189946 /nfs/dbraw/zinc/18/99/46/1069189946.db2.gz ANNPJOJURDYIMH-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001460801784 1069189952 /nfs/dbraw/zinc/18/99/52/1069189952.db2.gz ANNPJOJURDYIMH-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001460801784 1069189968 /nfs/dbraw/zinc/18/99/68/1069189968.db2.gz ANNPJOJURDYIMH-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001470427418 1072547332 /nfs/dbraw/zinc/54/73/32/1072547332.db2.gz YGMPQLFNVCLTSJ-VXKWHMMOSA-N 2 1 388.600 3.564 20 0 GHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC001478599905 1078930809 /nfs/dbraw/zinc/93/08/09/1078930809.db2.gz NIMITFBJXFALGN-NFBKMPQASA-N 2 1 394.563 3.514 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1cccc(C(F)(F)F)c1 ZINC001471215803 1072970042 /nfs/dbraw/zinc/97/00/42/1072970042.db2.gz RMJQANAKZBYBMO-UHOSZYNNSA-N 2 1 397.485 3.641 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001471217008 1072970535 /nfs/dbraw/zinc/97/05/35/1072970535.db2.gz ZTQWGJZFBNEVEU-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001471217008 1072970539 /nfs/dbraw/zinc/97/05/39/1072970539.db2.gz ZTQWGJZFBNEVEU-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001471217008 1072970542 /nfs/dbraw/zinc/97/05/42/1072970542.db2.gz ZTQWGJZFBNEVEU-FYYLOGMGSA-N 2 1 383.580 3.812 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C2)cc1 ZINC001471314406 1073013054 /nfs/dbraw/zinc/01/30/54/1073013054.db2.gz JWEYFAKESWCBMH-BJKOFHAPSA-N 2 1 391.559 3.565 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001478891261 1079016545 /nfs/dbraw/zinc/01/65/45/1079016545.db2.gz KWSOEZSKUHOAJR-IXTNQLDESA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001478891261 1079016549 /nfs/dbraw/zinc/01/65/49/1079016549.db2.gz KWSOEZSKUHOAJR-IXTNQLDESA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001478891261 1079016555 /nfs/dbraw/zinc/01/65/55/1079016555.db2.gz KWSOEZSKUHOAJR-IXTNQLDESA-N 2 1 398.595 3.696 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390171 1073945968 /nfs/dbraw/zinc/94/59/68/1073945968.db2.gz XVRMSWVYAJECOD-UEVCKROQSA-N 2 1 380.532 3.786 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390171 1073945969 /nfs/dbraw/zinc/94/59/69/1073945969.db2.gz XVRMSWVYAJECOD-UEVCKROQSA-N 2 1 380.532 3.786 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390171 1073945971 /nfs/dbraw/zinc/94/59/71/1073945971.db2.gz XVRMSWVYAJECOD-UEVCKROQSA-N 2 1 380.532 3.786 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1OCc1ccccc1 ZINC001473484257 1073984163 /nfs/dbraw/zinc/98/41/63/1073984163.db2.gz RPZHROOALCKJIL-OYRHQHFDSA-N 2 1 394.559 3.597 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1OCc1ccccc1 ZINC001473484257 1073984165 /nfs/dbraw/zinc/98/41/65/1073984165.db2.gz RPZHROOALCKJIL-OYRHQHFDSA-N 2 1 394.559 3.597 20 0 GHADMP O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473526630 1074002077 /nfs/dbraw/zinc/00/20/77/1074002077.db2.gz HQPZXPWFTBQMLM-JOCHJYFZSA-N 2 1 385.552 3.916 20 0 GHADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(CN(C)C)c3c2OC(F)(F)O3)CC1 ZINC001474227137 1074300221 /nfs/dbraw/zinc/30/02/21/1074300221.db2.gz RBELABOEJVJMAD-UHFFFAOYSA-N 2 1 397.510 3.670 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)C2)[C@H]1C(C)C ZINC001550424103 1126207002 /nfs/dbraw/zinc/20/70/02/1126207002.db2.gz XZVGCDULBPEMIA-YTXYEVPYSA-N 2 1 391.606 3.831 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820727948 607473871 /nfs/dbraw/zinc/47/38/71/607473871.db2.gz QWFITJYKKGCUJT-UHFFFAOYSA-N 2 1 394.498 3.528 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824284354 608500193 /nfs/dbraw/zinc/50/01/93/608500193.db2.gz GHLKUNOMRVPPQZ-QFIPXVFZSA-N 2 1 390.535 3.874 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC(F)(C[NH3+])CC2)n1 ZINC001164389811 718813310 /nfs/dbraw/zinc/81/33/10/718813310.db2.gz ZPXPHORAHZHWJN-UHFFFAOYSA-N 2 1 399.539 3.687 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724642 720395655 /nfs/dbraw/zinc/39/56/55/720395655.db2.gz KBIDARQJOHOJEY-PMACEKPBSA-N 2 1 397.954 3.579 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724642 720395663 /nfs/dbraw/zinc/39/56/63/720395663.db2.gz KBIDARQJOHOJEY-PMACEKPBSA-N 2 1 397.954 3.579 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc5[nH]ccc5c[nH+]4)CC3)C2)cc1 ZINC001164940940 721922033 /nfs/dbraw/zinc/92/20/33/721922033.db2.gz WZNQRFFLBPBKQE-UHFFFAOYSA-N 2 1 376.504 3.743 20 0 GHADMP Cc1cccc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981031 722149807 /nfs/dbraw/zinc/14/98/07/722149807.db2.gz OJXDQPFTVKYZFR-VXKWHMMOSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cccc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164981031 722149809 /nfs/dbraw/zinc/14/98/09/722149809.db2.gz OJXDQPFTVKYZFR-VXKWHMMOSA-N 2 1 388.515 3.666 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000237903109 837453917 /nfs/dbraw/zinc/45/39/17/837453917.db2.gz UHKGWYSOZRBWIB-OAQYLSRUSA-N 2 1 385.939 3.855 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000237903109 837453924 /nfs/dbraw/zinc/45/39/24/837453924.db2.gz UHKGWYSOZRBWIB-OAQYLSRUSA-N 2 1 385.939 3.855 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H]5C[NH2+]C[C@H]5CC4)cc3)nc12 ZINC000647544506 837465810 /nfs/dbraw/zinc/46/58/10/837465810.db2.gz ACLNUXHKUSFBEX-OYRHEFFESA-N 2 1 390.531 3.653 20 0 GHADMP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543778 837475055 /nfs/dbraw/zinc/47/50/55/837475055.db2.gz RVAAHJYFPRUHDL-IAGOWNOFSA-N 2 1 385.533 3.750 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655692809 837676960 /nfs/dbraw/zinc/67/69/60/837676960.db2.gz VJQDLKUTMWQBBG-BKSPAHHJSA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655692809 837676968 /nfs/dbraw/zinc/67/69/68/837676968.db2.gz VJQDLKUTMWQBBG-BKSPAHHJSA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655692809 837676973 /nfs/dbraw/zinc/67/69/73/837676973.db2.gz VJQDLKUTMWQBBG-BKSPAHHJSA-N 2 1 399.623 3.898 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655691537 837671996 /nfs/dbraw/zinc/67/19/96/837671996.db2.gz UMYDUONSOOJNHH-HYBUGGRVSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691537 837671998 /nfs/dbraw/zinc/67/19/98/837671998.db2.gz UMYDUONSOOJNHH-HYBUGGRVSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691537 837672004 /nfs/dbraw/zinc/67/20/04/837672004.db2.gz UMYDUONSOOJNHH-HYBUGGRVSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691537 837672008 /nfs/dbraw/zinc/67/20/08/837672008.db2.gz UMYDUONSOOJNHH-HYBUGGRVSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655691537 837672011 /nfs/dbraw/zinc/67/20/11/837672011.db2.gz UMYDUONSOOJNHH-HYBUGGRVSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655692811 837676577 /nfs/dbraw/zinc/67/65/77/837676577.db2.gz VJQDLKUTMWQBBG-OTPAQWSUSA-N 2 1 399.623 3.898 20 0 GHADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000583449445 834398972 /nfs/dbraw/zinc/39/89/72/834398972.db2.gz LBCAOZAWWZXUCG-HSZRJFAPSA-N 2 1 383.580 3.623 20 0 GHADMP CC(C)C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH2+][C@H](C)c1ccccc1 ZINC000458560771 834507729 /nfs/dbraw/zinc/50/77/29/834507729.db2.gz QOQRTGJEFRKFSV-SKKAZLHUSA-N 2 1 386.584 3.676 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000650705280 834520942 /nfs/dbraw/zinc/52/09/42/834520942.db2.gz BADGYJLRBKGNMY-CQOQZXRMSA-N 2 1 380.532 3.984 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000650705403 834521984 /nfs/dbraw/zinc/52/19/84/834521984.db2.gz GFHQEWXAKZLUEB-ZDXQCDESSA-N 2 1 380.532 3.984 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000583526367 834570958 /nfs/dbraw/zinc/57/09/58/834570958.db2.gz IKBWJMOANSCVPN-VOFXCDAESA-N 2 1 382.552 3.623 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000089214889 834573293 /nfs/dbraw/zinc/57/32/93/834573293.db2.gz HENRMQOCHGCAMQ-REWPJTCUSA-N 3 1 378.564 3.941 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000089214889 834573302 /nfs/dbraw/zinc/57/33/02/834573302.db2.gz HENRMQOCHGCAMQ-REWPJTCUSA-N 3 1 378.564 3.941 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OCC ZINC000650722194 834687933 /nfs/dbraw/zinc/68/79/33/834687933.db2.gz MYLRHUISWUMFOQ-QKNQBKEWSA-N 2 1 376.541 3.735 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1OC(F)F ZINC000650722378 834689915 /nfs/dbraw/zinc/68/99/15/834689915.db2.gz RFDAFSMOAHARGT-JZXOWHBKSA-N 2 1 384.467 3.548 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000472293739 834716713 /nfs/dbraw/zinc/71/67/13/834716713.db2.gz NLHQRCYNAVWMEC-PKTZIBPZSA-N 2 1 395.547 3.799 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000472293739 834716720 /nfs/dbraw/zinc/71/67/20/834716720.db2.gz NLHQRCYNAVWMEC-PKTZIBPZSA-N 2 1 395.547 3.799 20 0 GHADMP c1ncn(-c2ccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc2)n1 ZINC000657772958 834720114 /nfs/dbraw/zinc/72/01/14/834720114.db2.gz YIWZMDGHZKIAHA-QFIPXVFZSA-N 2 1 387.531 3.659 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([C@@H](C)C(F)(F)F)cc3)C2)CC1 ZINC000579796534 834777750 /nfs/dbraw/zinc/77/77/50/834777750.db2.gz KCYMXXILUSAMAY-YLJYHZDGSA-N 2 1 383.502 3.953 20 0 GHADMP C[C@@H](NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1=CC[N@@H+](C)CC1 ZINC000511264917 834902419 /nfs/dbraw/zinc/90/24/19/834902419.db2.gz IKFXXZGFYAYYFF-RTBURBONSA-N 2 1 384.568 3.600 20 0 GHADMP COc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000431571482 834939359 /nfs/dbraw/zinc/93/93/59/834939359.db2.gz RJCGXAVDXWMXOR-IFMALSPDSA-N 2 1 387.568 3.603 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](Cc4ccc5cnccc5c4)CC3)C2)cc1 ZINC000685441987 835011166 /nfs/dbraw/zinc/01/11/66/835011166.db2.gz RTGOVODJCABUNV-RUZDIDTESA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4ccc5cnccc5c4)CC3)C2)cc1 ZINC000685441987 835011176 /nfs/dbraw/zinc/01/11/76/835011176.db2.gz RTGOVODJCABUNV-RUZDIDTESA-N 2 1 386.543 3.627 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000130302337 835017554 /nfs/dbraw/zinc/01/75/54/835017554.db2.gz CTODKJYMYKYWED-RXVVDRJESA-N 2 1 381.520 3.527 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000130302337 835017563 /nfs/dbraw/zinc/01/75/63/835017563.db2.gz CTODKJYMYKYWED-RXVVDRJESA-N 2 1 381.520 3.527 20 0 GHADMP C[C@@H](C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000685604512 835215593 /nfs/dbraw/zinc/21/55/93/835215593.db2.gz AEHFCQIGKLTEKR-MRWPOJJOSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@@H](C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000685604512 835215598 /nfs/dbraw/zinc/21/55/98/835215598.db2.gz AEHFCQIGKLTEKR-MRWPOJJOSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@H](C[NH+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604512 835215603 /nfs/dbraw/zinc/21/56/03/835215603.db2.gz AEHFCQIGKLTEKR-MRWPOJJOSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@H](C[NH+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604512 835215610 /nfs/dbraw/zinc/21/56/10/835215610.db2.gz AEHFCQIGKLTEKR-MRWPOJJOSA-N 2 1 388.596 3.690 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000658083483 835404865 /nfs/dbraw/zinc/40/48/65/835404865.db2.gz WNMVGEMISSFLIC-IPMKNSEASA-N 2 1 390.453 3.886 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000658083483 835404870 /nfs/dbraw/zinc/40/48/70/835404870.db2.gz WNMVGEMISSFLIC-IPMKNSEASA-N 2 1 390.453 3.886 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092573 835417467 /nfs/dbraw/zinc/41/74/67/835417467.db2.gz QNDFTESIYPZOMU-CJNGLKHVSA-N 2 1 382.346 3.629 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cnn1-c1cc(C)ccc1C ZINC000132769403 835418729 /nfs/dbraw/zinc/41/87/29/835418729.db2.gz UVZZUDNWMHKZJV-FPOVZHCZSA-N 2 1 396.579 3.949 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140486 835467293 /nfs/dbraw/zinc/46/72/93/835467293.db2.gz UQYHGDCTKDNASA-KNQAVFIVSA-N 2 1 395.503 3.587 20 0 GHADMP CNC(=O)CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000658306536 835553337 /nfs/dbraw/zinc/55/33/37/835553337.db2.gz DQFNFZVOEUAJCP-DKUWSORSSA-N 2 1 383.580 3.858 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000179485404 835583576 /nfs/dbraw/zinc/58/35/76/835583576.db2.gz ZQRWXXLGEXYGLQ-HXUWFJFHSA-N 2 1 394.991 3.706 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584158976 835716631 /nfs/dbraw/zinc/71/66/31/835716631.db2.gz SWJWYAAUAKBBLK-UYAOXDASSA-N 2 1 383.511 3.963 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584158973 835716935 /nfs/dbraw/zinc/71/69/35/835716935.db2.gz SWJWYAAUAKBBLK-AZUAARDMSA-N 2 1 383.511 3.963 20 0 GHADMP Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000892462974 835800260 /nfs/dbraw/zinc/80/02/60/835800260.db2.gz YPJZBRGVCJXOMX-UHFFFAOYSA-N 2 1 399.539 3.653 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632001 835967713 /nfs/dbraw/zinc/96/77/13/835967713.db2.gz RKZJBHBNSRAFKA-LZLYRXPVSA-N 2 1 377.960 3.569 20 0 GHADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000513041054 844137466 /nfs/dbraw/zinc/13/74/66/844137466.db2.gz JLFYVSHPPALCAU-DYESRHJHSA-N 2 1 384.593 3.921 20 0 GHADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000513041054 844137467 /nfs/dbraw/zinc/13/74/67/844137467.db2.gz JLFYVSHPPALCAU-DYESRHJHSA-N 2 1 384.593 3.921 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080075551 836222110 /nfs/dbraw/zinc/22/21/10/836222110.db2.gz FILJMJYWXDGMCV-MWXLCCTBSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H](OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000173868028 836316133 /nfs/dbraw/zinc/31/61/33/836316133.db2.gz HLKLJHQWGMOPNN-UEXGIBASSA-N 2 1 380.960 3.586 20 0 GHADMP CC[C@H](C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000413791179 836339002 /nfs/dbraw/zinc/33/90/02/836339002.db2.gz LEFDGRDDGPWMHC-CUCSMPGESA-N 2 1 377.960 3.710 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178133253 836381755 /nfs/dbraw/zinc/38/17/55/836381755.db2.gz POEHSWCWWLJNNP-LJQANCHMSA-N 2 1 379.548 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccccc3-c3ccnn3C)c2)CCO1 ZINC000510167581 836471027 /nfs/dbraw/zinc/47/10/27/836471027.db2.gz FFGGJLOSEFDOGI-LJQANCHMSA-N 2 1 390.531 3.598 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3-c3ccnn3C)c2)CCO1 ZINC000510167581 836471031 /nfs/dbraw/zinc/47/10/31/836471031.db2.gz FFGGJLOSEFDOGI-LJQANCHMSA-N 2 1 390.531 3.598 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC000376005332 836485696 /nfs/dbraw/zinc/48/56/96/836485696.db2.gz VWDCHIINBLCMQS-ISBRNDMJSA-N 2 1 381.564 3.563 20 0 GHADMP CC[C@@H](C)C[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431676673 836693083 /nfs/dbraw/zinc/69/30/83/836693083.db2.gz RUMDSAAWVSUYQQ-RTBURBONSA-N 2 1 380.621 3.649 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000510214508 836790135 /nfs/dbraw/zinc/79/01/35/836790135.db2.gz YSTDRKUCRJYDBH-FQEVSTJZSA-N 2 1 378.476 3.731 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000067222903 844207954 /nfs/dbraw/zinc/20/79/54/844207954.db2.gz ANNNBNXTKWYVQK-LJQANCHMSA-N 2 1 375.520 3.756 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431696515 836904365 /nfs/dbraw/zinc/90/43/65/836904365.db2.gz DNTVZKWLYFBRFP-YMPZKCBVSA-N 2 1 398.595 3.699 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659019264 837268202 /nfs/dbraw/zinc/26/82/02/837268202.db2.gz LTSGESBQPIGFGR-OAQYLSRUSA-N 2 1 392.547 3.830 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1F ZINC000431741645 837272902 /nfs/dbraw/zinc/27/29/02/837272902.db2.gz SGDOPBXDJSMOFD-OAQYLSRUSA-N 2 1 384.499 3.733 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1F ZINC000431741645 837272910 /nfs/dbraw/zinc/27/29/10/837272910.db2.gz SGDOPBXDJSMOFD-OAQYLSRUSA-N 2 1 384.499 3.733 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000647531024 837319840 /nfs/dbraw/zinc/31/98/40/837319840.db2.gz WOTPDDAZWPHYFO-UHFFFAOYSA-N 2 1 390.531 3.920 20 0 GHADMP Brc1ccccc1CC1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655770254 837841313 /nfs/dbraw/zinc/84/13/13/837841313.db2.gz DXRYEGAGEDVXEH-GOSISDBHSA-N 2 1 393.369 3.757 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000659863079 837878119 /nfs/dbraw/zinc/87/81/19/837878119.db2.gz GDZSOFYNOPOVRM-SFTDATJTSA-N 2 1 377.617 3.715 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377764314 837939853 /nfs/dbraw/zinc/93/98/53/837939853.db2.gz QWIRTNSPGYGRJY-FGZHOGPDSA-N 2 1 392.547 3.734 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OCc1cccnc1 ZINC000377840478 838043299 /nfs/dbraw/zinc/04/32/99/838043299.db2.gz SHAVJBKLAQYEDW-NHCUHLMSSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OCc1cccnc1 ZINC000377840478 838043308 /nfs/dbraw/zinc/04/33/08/838043308.db2.gz SHAVJBKLAQYEDW-NHCUHLMSSA-N 2 1 381.520 3.585 20 0 GHADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OCc1cccnc1 ZINC000377840478 838043310 /nfs/dbraw/zinc/04/33/10/838043310.db2.gz SHAVJBKLAQYEDW-NHCUHLMSSA-N 2 1 381.520 3.585 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC[N@H+]1Cc1ccccc1 ZINC000659287432 838207389 /nfs/dbraw/zinc/20/73/89/838207389.db2.gz OHQYJNIVFQZNPF-YSZBQJHXSA-N 2 1 391.559 3.848 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1F ZINC000659288343 838221731 /nfs/dbraw/zinc/22/17/31/838221731.db2.gz GCCVOVWJMAKSCB-IBGZPJMESA-N 2 1 392.478 3.628 20 0 GHADMP Clc1ccc(Oc2ccc(CNc3nc(N4CC[NH2+]CC4)cc[nH+]3)cc2)cc1 ZINC001167708699 838234688 /nfs/dbraw/zinc/23/46/88/838234688.db2.gz BKPMDYPERJUOIA-UHFFFAOYSA-N 2 1 395.894 3.944 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000415914635 838264753 /nfs/dbraw/zinc/26/47/53/838264753.db2.gz XALKFJKTJUGNDA-SEJPIABJSA-N 2 1 378.520 3.723 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000415937623 838291259 /nfs/dbraw/zinc/29/12/59/838291259.db2.gz YLICCDIHNJRPPG-QFIPXVFZSA-N 2 1 380.536 3.828 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cccc2[nH]ccc21 ZINC000378020321 838291730 /nfs/dbraw/zinc/29/17/30/838291730.db2.gz SODORBMHOCILRS-UHFFFAOYSA-N 2 1 397.567 3.828 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613563540 838297529 /nfs/dbraw/zinc/29/75/29/838297529.db2.gz LZTAYZOMINFIKF-HSZRJFAPSA-N 2 1 395.522 3.875 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613563540 838297539 /nfs/dbraw/zinc/29/75/39/838297539.db2.gz LZTAYZOMINFIKF-HSZRJFAPSA-N 2 1 395.522 3.875 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC ZINC000415950204 838304932 /nfs/dbraw/zinc/30/49/32/838304932.db2.gz GVAXGFLECLUYQE-NRFANRHFSA-N 2 1 395.551 3.710 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415983297 838351858 /nfs/dbraw/zinc/35/18/58/838351858.db2.gz NGDYSAJPSDEYGC-OEWRPIJISA-N 2 1 380.536 3.684 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415975366 838352561 /nfs/dbraw/zinc/35/25/61/838352561.db2.gz TYZBAXIPTDJDPI-CQSZACIVSA-N 2 1 386.462 3.798 20 0 GHADMP CCN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415975975 838353209 /nfs/dbraw/zinc/35/32/09/838353209.db2.gz QFWMBNDWIFNCGH-IBGZPJMESA-N 2 1 396.510 3.600 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415996409 838373960 /nfs/dbraw/zinc/37/39/60/838373960.db2.gz MRNLTBCRLVSPKI-REWPJTCUSA-N 2 1 390.531 3.808 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000537956003 838526794 /nfs/dbraw/zinc/52/67/94/838526794.db2.gz VRLQTNXILAJFFW-WCQYABFASA-N 2 1 395.263 3.919 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000537956003 838526800 /nfs/dbraw/zinc/52/68/00/838526800.db2.gz VRLQTNXILAJFFW-WCQYABFASA-N 2 1 395.263 3.919 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000416158677 838652039 /nfs/dbraw/zinc/65/20/39/838652039.db2.gz TZLHYVGFKWIGML-XXBNENTESA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000416158677 838652046 /nfs/dbraw/zinc/65/20/46/838652046.db2.gz TZLHYVGFKWIGML-XXBNENTESA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)CC[N@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000416158677 838652050 /nfs/dbraw/zinc/65/20/50/838652050.db2.gz TZLHYVGFKWIGML-XXBNENTESA-N 2 1 397.588 3.696 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275764673 838764226 /nfs/dbraw/zinc/76/42/26/838764226.db2.gz UCFIGEIMKRJOQN-XLIONFOSSA-N 2 1 383.502 3.761 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000580071463 838802549 /nfs/dbraw/zinc/80/25/49/838802549.db2.gz XYSWJGOXGWQOCD-UHFFFAOYSA-N 2 1 397.485 3.647 20 0 GHADMP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549414674 838840326 /nfs/dbraw/zinc/84/03/26/838840326.db2.gz DQEYLLBUGAABJD-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000460344821 839118290 /nfs/dbraw/zinc/11/82/90/839118290.db2.gz DOBLVERLBCKXGI-OALUTQOASA-N 2 1 383.580 3.666 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000549164729 839122253 /nfs/dbraw/zinc/12/22/53/839122253.db2.gz GYCLQKFHZFGZKM-HXUWFJFHSA-N 2 1 380.536 3.609 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc1 ZINC000549164729 839122264 /nfs/dbraw/zinc/12/22/64/839122264.db2.gz GYCLQKFHZFGZKM-HXUWFJFHSA-N 2 1 380.536 3.609 20 0 GHADMP FC(F)Oc1ccc2ccccc2c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058123 839128567 /nfs/dbraw/zinc/12/85/67/839128567.db2.gz SNSAXJAWWRPUPM-UHFFFAOYSA-N 2 1 389.490 3.747 20 0 GHADMP Brc1cccc(OCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415072846 839170256 /nfs/dbraw/zinc/17/02/56/839170256.db2.gz AEBORYUXKGPZGI-PKOBYXMFSA-N 2 1 375.310 3.911 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCCO1 ZINC000415112953 839222958 /nfs/dbraw/zinc/22/29/58/839222958.db2.gz TVCXATLFPPRNPG-OAQYLSRUSA-N 2 1 396.922 3.742 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCCO1 ZINC000415112953 839222964 /nfs/dbraw/zinc/22/29/64/839222964.db2.gz TVCXATLFPPRNPG-OAQYLSRUSA-N 2 1 396.922 3.742 20 0 GHADMP Cc1cc(C)cc(-c2ccc(C[N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)cc2)c1 ZINC000415120017 839238093 /nfs/dbraw/zinc/23/80/93/839238093.db2.gz FQYWWQDHKPIBFI-QHCPKHFHSA-N 2 1 375.520 3.858 20 0 GHADMP CC(C)(CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000548085520 839390797 /nfs/dbraw/zinc/39/07/97/839390797.db2.gz XOFQYBTZFBZTHS-UHFFFAOYSA-N 2 1 391.559 3.849 20 0 GHADMP CC(C)C[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000511528014 839860792 /nfs/dbraw/zinc/86/07/92/839860792.db2.gz BKZFTUUSBIHNEM-UHFFFAOYSA-N 2 1 379.548 3.732 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1CN(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000656262789 839913613 /nfs/dbraw/zinc/91/36/13/839913613.db2.gz ZGMOWCPSBZPTIW-RDTXWAMCSA-N 2 1 391.357 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000656262789 839913621 /nfs/dbraw/zinc/91/36/21/839913621.db2.gz ZGMOWCPSBZPTIW-RDTXWAMCSA-N 2 1 391.357 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000656262789 839913630 /nfs/dbraw/zinc/91/36/30/839913630.db2.gz ZGMOWCPSBZPTIW-RDTXWAMCSA-N 2 1 391.357 3.715 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580722905 840061194 /nfs/dbraw/zinc/06/11/94/840061194.db2.gz JXPCDXBAZLPFAZ-LEWJYISDSA-N 2 1 397.588 3.598 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580722905 840061203 /nfs/dbraw/zinc/06/12/03/840061203.db2.gz JXPCDXBAZLPFAZ-LEWJYISDSA-N 2 1 397.588 3.598 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580722905 840061209 /nfs/dbraw/zinc/06/12/09/840061209.db2.gz JXPCDXBAZLPFAZ-LEWJYISDSA-N 2 1 397.588 3.598 20 0 GHADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001167433908 840151344 /nfs/dbraw/zinc/15/13/44/840151344.db2.gz OWZRTHWAPKDYQW-SFHVURJKSA-N 2 1 389.367 3.785 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001167433908 840151353 /nfs/dbraw/zinc/15/13/53/840151353.db2.gz OWZRTHWAPKDYQW-SFHVURJKSA-N 2 1 389.367 3.785 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000416854002 840232087 /nfs/dbraw/zinc/23/20/87/840232087.db2.gz OSIGIHBUZUYQPI-FFZOFVMBSA-N 2 1 392.975 3.506 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418469081 840280440 /nfs/dbraw/zinc/28/04/40/840280440.db2.gz BEUHUHBPBWFPIY-DENIHFKCSA-N 2 1 394.563 3.760 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000416974786 840332430 /nfs/dbraw/zinc/33/24/30/840332430.db2.gz LVCPUJSXKDZZMZ-VAMGGRTRSA-N 2 1 386.584 3.625 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000511710858 840543657 /nfs/dbraw/zinc/54/36/57/840543657.db2.gz ZHYPRNDFDAFBLJ-HXUWFJFHSA-N 2 1 393.522 3.525 20 0 GHADMP CC(C)[N@H+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000581087741 840685927 /nfs/dbraw/zinc/68/59/27/840685927.db2.gz VPWXRQMSGHEWJE-INIZCTEOSA-N 2 1 393.881 3.722 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCC(F)(F)F ZINC000581087741 840685930 /nfs/dbraw/zinc/68/59/30/840685930.db2.gz VPWXRQMSGHEWJE-INIZCTEOSA-N 2 1 393.881 3.722 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000581087741 840685935 /nfs/dbraw/zinc/68/59/35/840685935.db2.gz VPWXRQMSGHEWJE-INIZCTEOSA-N 2 1 393.881 3.722 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000581087741 840685938 /nfs/dbraw/zinc/68/59/38/840685938.db2.gz VPWXRQMSGHEWJE-INIZCTEOSA-N 2 1 393.881 3.722 20 0 GHADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000318967500 840718013 /nfs/dbraw/zinc/71/80/13/840718013.db2.gz DLEMVWBQUOBBJC-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000511789700 840760259 /nfs/dbraw/zinc/76/02/59/840760259.db2.gz VXOYOCKVOCVXHF-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000652125248 840890563 /nfs/dbraw/zinc/89/05/63/840890563.db2.gz KGUOHLPHVMWTMY-KRWDZBQOSA-N 2 1 398.526 3.658 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000276104042 841033377 /nfs/dbraw/zinc/03/33/77/841033377.db2.gz GHWVQDVABXFQPS-SFHVURJKSA-N 2 1 378.314 3.712 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3ccccc3F)CC2)CC1 ZINC000581319194 841070966 /nfs/dbraw/zinc/07/09/66/841070966.db2.gz UHBDQRAXMXEDAR-KRWDZBQOSA-N 2 1 375.532 3.541 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417914399 841269908 /nfs/dbraw/zinc/26/99/08/841269908.db2.gz ASWLLPXHEFNJJY-IPJJNNNSSA-N 2 1 394.563 3.806 20 0 GHADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581408464 841283867 /nfs/dbraw/zinc/28/38/67/841283867.db2.gz SUMXYILHZFXFMT-PMACEKPBSA-N 2 1 385.577 3.712 20 0 GHADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000364173764 841294156 /nfs/dbraw/zinc/29/41/56/841294156.db2.gz FRLVVXLFFBZSIJ-SFHVURJKSA-N 2 1 389.559 3.584 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000600184144 861207090 /nfs/dbraw/zinc/20/70/90/861207090.db2.gz GMUFHYUQDLPMTQ-QFIPXVFZSA-N 2 1 378.516 3.689 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000600184144 861207102 /nfs/dbraw/zinc/20/71/02/861207102.db2.gz GMUFHYUQDLPMTQ-QFIPXVFZSA-N 2 1 378.516 3.689 20 0 GHADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418110269 841506609 /nfs/dbraw/zinc/50/66/09/841506609.db2.gz WBHUVVMGAYNIML-REWPJTCUSA-N 2 1 394.563 3.631 20 0 GHADMP CC(C)([NH3+])c1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)on1 ZINC000662748287 841533718 /nfs/dbraw/zinc/53/37/18/841533718.db2.gz OPVHUDCKJPYFHF-UHFFFAOYSA-N 2 1 396.535 3.529 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(OC)ccc3F)CC2)cs1 ZINC000555550159 861216463 /nfs/dbraw/zinc/21/64/63/861216463.db2.gz KEJOYEGYMPPHRY-UHFFFAOYSA-N 2 1 377.529 3.855 20 0 GHADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000651817710 841649958 /nfs/dbraw/zinc/64/99/58/841649958.db2.gz XVZLORFROVVNPP-FCHUYYIVSA-N 2 1 388.596 3.956 20 0 GHADMP Cc1nn2c(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000500249550 841732148 /nfs/dbraw/zinc/73/21/48/841732148.db2.gz KYDAZOAKKGRBFM-KXBFYZLASA-N 2 1 383.565 3.798 20 0 GHADMP OC[C@@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCc2ccccc21 ZINC000651883172 841787363 /nfs/dbraw/zinc/78/73/63/841787363.db2.gz YXJNOAMFTZIOKJ-UPVQGACJSA-N 2 1 376.544 3.650 20 0 GHADMP OC[C@@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCc2ccccc21 ZINC000651883172 841787370 /nfs/dbraw/zinc/78/73/70/841787370.db2.gz YXJNOAMFTZIOKJ-UPVQGACJSA-N 2 1 376.544 3.650 20 0 GHADMP Cc1ccsc1CN(C)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000581619884 841798332 /nfs/dbraw/zinc/79/83/32/841798332.db2.gz VTCVLYXJWOIRMK-UHFFFAOYSA-N 2 1 385.577 3.531 20 0 GHADMP Cn1c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000656787077 841928065 /nfs/dbraw/zinc/92/80/65/841928065.db2.gz ZXFYWSJOKILDQY-OAHLLOKOSA-N 2 1 380.458 3.804 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001167826414 842058854 /nfs/dbraw/zinc/05/88/54/842058854.db2.gz YFETWOYIOGOBML-QNWVGRARSA-N 2 1 389.584 3.842 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131222722 861268880 /nfs/dbraw/zinc/26/88/80/861268880.db2.gz NTTYJPHQIOLDAI-IRLDBZIGSA-N 2 1 387.543 3.515 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000684410368 842125804 /nfs/dbraw/zinc/12/58/04/842125804.db2.gz ROAZCRPHAUBLFY-IBGZPJMESA-N 2 1 376.504 3.697 20 0 GHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)cc1 ZINC000432231982 842170185 /nfs/dbraw/zinc/17/01/85/842170185.db2.gz KNOZBZZQGFLNAX-UHFFFAOYSA-N 2 1 398.309 3.714 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000177998516 861293712 /nfs/dbraw/zinc/29/37/12/861293712.db2.gz QWNQLYUEXPCHKR-GOSISDBHSA-N 2 1 376.504 3.880 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)C1 ZINC000652349192 842328907 /nfs/dbraw/zinc/32/89/07/842328907.db2.gz FHWWZKNBKIOFOV-ZVDOUQERSA-N 2 1 385.577 3.647 20 0 GHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)c(OC)c1 ZINC000652355213 842355091 /nfs/dbraw/zinc/35/50/91/842355091.db2.gz RDTGVHATJNZSBE-KDOFPFPSSA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)c(OC)c1 ZINC000652355213 842355106 /nfs/dbraw/zinc/35/51/06/842355106.db2.gz RDTGVHATJNZSBE-KDOFPFPSSA-N 2 1 375.538 3.777 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581882862 842414362 /nfs/dbraw/zinc/41/43/62/842414362.db2.gz REUXZJOQVQIQNF-AZUAARDMSA-N 2 1 381.923 3.510 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581882862 842414371 /nfs/dbraw/zinc/41/43/71/842414371.db2.gz REUXZJOQVQIQNF-AZUAARDMSA-N 2 1 381.923 3.510 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC000399026283 842417396 /nfs/dbraw/zinc/41/73/96/842417396.db2.gz JKRWSYSUDUFXCF-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CC[NH+](C)CC1 ZINC000510484983 842497108 /nfs/dbraw/zinc/49/71/08/842497108.db2.gz ZLFTVPDCBAUYOP-ZCNNSNEGSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CC[N@H+](C)CC1 ZINC000510484983 842497112 /nfs/dbraw/zinc/49/71/12/842497112.db2.gz ZLFTVPDCBAUYOP-ZCNNSNEGSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CC[N@@H+](C)CC1 ZINC000510484983 842497118 /nfs/dbraw/zinc/49/71/18/842497118.db2.gz ZLFTVPDCBAUYOP-ZCNNSNEGSA-N 2 1 398.595 3.614 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000581911754 842643502 /nfs/dbraw/zinc/64/35/02/842643502.db2.gz JCHYWJCCVUMORE-IRXDYDNUSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000581911754 842643507 /nfs/dbraw/zinc/64/35/07/842643507.db2.gz JCHYWJCCVUMORE-IRXDYDNUSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1OCC(F)(F)F ZINC000581911754 842643511 /nfs/dbraw/zinc/64/35/11/842643511.db2.gz JCHYWJCCVUMORE-IRXDYDNUSA-N 2 1 386.458 3.943 20 0 GHADMP CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000891726336 842759147 /nfs/dbraw/zinc/75/91/47/842759147.db2.gz KOWIQVNJGCIGLP-QFBILLFUSA-N 2 1 398.954 3.632 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](n3cnc4c3CCCC4)C2)cc1)C1CC1 ZINC000430700315 842799529 /nfs/dbraw/zinc/79/95/29/842799529.db2.gz RPOPMAOHSPSAPM-OAQYLSRUSA-N 2 1 392.547 3.833 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1)C1CC1 ZINC000430700315 842799536 /nfs/dbraw/zinc/79/95/36/842799536.db2.gz RPOPMAOHSPSAPM-OAQYLSRUSA-N 2 1 392.547 3.833 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1)C1CC1 ZINC000430700315 842799542 /nfs/dbraw/zinc/79/95/42/842799542.db2.gz RPOPMAOHSPSAPM-OAQYLSRUSA-N 2 1 392.547 3.833 20 0 GHADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000510540601 842930601 /nfs/dbraw/zinc/93/06/01/842930601.db2.gz PJNVQTDGQIXKHY-TUNNFDKTSA-N 2 1 392.632 3.695 20 0 GHADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254633 843025169 /nfs/dbraw/zinc/02/51/69/843025169.db2.gz QZZSRGKVIHLTPQ-FQEVSTJZSA-N 2 1 387.499 3.646 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(C)n1CC(F)(F)F ZINC000662291608 843083643 /nfs/dbraw/zinc/08/36/43/843083643.db2.gz JDKKQCHHMAHPHE-QGZVFWFLSA-N 2 1 385.474 3.562 20 0 GHADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000662294689 843087492 /nfs/dbraw/zinc/08/74/92/843087492.db2.gz DRZSNDZNOXQJBS-REWPJTCUSA-N 2 1 397.588 3.665 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297195 843093059 /nfs/dbraw/zinc/09/30/59/843093059.db2.gz OHVBQFNNVTVAPN-FXAWDEMLSA-N 2 1 383.536 3.664 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296542 843093800 /nfs/dbraw/zinc/09/38/00/843093800.db2.gz LVBABBXBTPEBJT-LPHOPBHVSA-N 2 1 377.960 3.571 20 0 GHADMP Clc1ccccc1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327177 843142033 /nfs/dbraw/zinc/14/20/33/843142033.db2.gz FHPBUMUDGAMIBG-UHFFFAOYSA-N 2 1 388.943 3.789 20 0 GHADMP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000662343488 843151959 /nfs/dbraw/zinc/15/19/59/843151959.db2.gz RVVPYLTYFALWIX-UHFFFAOYSA-N 2 1 397.522 3.837 20 0 GHADMP Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)n2)c1 ZINC000279594203 843159364 /nfs/dbraw/zinc/15/93/64/843159364.db2.gz VPJNPCXVRSFBCE-IRXDYDNUSA-N 2 1 394.523 3.527 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(C4CC[NH2+]CC4)no3)cc2)C1 ZINC000662389695 843180330 /nfs/dbraw/zinc/18/03/30/843180330.db2.gz ZHUNNPFOYDKUFK-MRXNPFEDSA-N 2 1 382.508 3.626 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662472637 843302644 /nfs/dbraw/zinc/30/26/44/843302644.db2.gz CEXFSNCXONDPDQ-GOSISDBHSA-N 2 1 386.367 3.834 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC000662478935 843314653 /nfs/dbraw/zinc/31/46/53/843314653.db2.gz XKOQDJRMJCIIPD-RDTXWAMCSA-N 2 1 384.351 3.588 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000662514786 843369879 /nfs/dbraw/zinc/36/98/79/843369879.db2.gz RCJKOCLJKCLDLF-QZNHQXDQSA-N 2 1 399.485 3.839 20 0 GHADMP CCC[N@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431097024 843592245 /nfs/dbraw/zinc/59/22/45/843592245.db2.gz MDKHRFWJSNCACQ-JOCHJYFZSA-N 2 1 387.568 3.603 20 0 GHADMP CCC[N@@H+](CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431097024 843592257 /nfs/dbraw/zinc/59/22/57/843592257.db2.gz MDKHRFWJSNCACQ-JOCHJYFZSA-N 2 1 387.568 3.603 20 0 GHADMP CCc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000555617832 861438828 /nfs/dbraw/zinc/43/88/28/861438828.db2.gz XHTOBBXONJLVOA-IBGZPJMESA-N 2 1 385.577 3.724 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4CCC5(CCCCC5)O4)CC3)C2)cc1 ZINC000512426830 843768367 /nfs/dbraw/zinc/76/83/67/843768367.db2.gz JAFBBGLVNXGUAI-RPWUZVMVSA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4CCC5(CCCCC5)O4)CC3)C2)cc1 ZINC000512426830 843768371 /nfs/dbraw/zinc/76/83/71/843768371.db2.gz JAFBBGLVNXGUAI-RPWUZVMVSA-N 2 1 397.607 3.760 20 0 GHADMP CCc1ccccc1CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512445260 843820921 /nfs/dbraw/zinc/82/09/21/843820921.db2.gz YJDBVGFZMYUXKS-VWLOTQADSA-N 2 1 377.576 3.684 20 0 GHADMP COCC[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449254 843831509 /nfs/dbraw/zinc/83/15/09/843831509.db2.gz DPEFGQSJJHFGDM-RPBOFIJWSA-N 2 1 393.575 3.656 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000500688024 843836164 /nfs/dbraw/zinc/83/61/64/843836164.db2.gz PAOHKWIZSURHOQ-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000500688024 843836181 /nfs/dbraw/zinc/83/61/81/843836181.db2.gz PAOHKWIZSURHOQ-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000500688024 843836185 /nfs/dbraw/zinc/83/61/85/843836185.db2.gz PAOHKWIZSURHOQ-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP CC1(C)Cc2cccc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)c2O1 ZINC000180986621 844675448 /nfs/dbraw/zinc/67/54/48/844675448.db2.gz YMFBACRMUGAAEC-JOCHJYFZSA-N 2 1 380.532 3.647 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@@H]3/C=C\c3ccccc3)cn2)CC1 ZINC000535825898 844706517 /nfs/dbraw/zinc/70/65/17/844706517.db2.gz ZBULIXZGJMHDTP-GBJNBNQZSA-N 2 1 391.563 3.686 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@@H]3/C=C\c3ccccc3)cn2)CC1 ZINC000535825898 844706524 /nfs/dbraw/zinc/70/65/24/844706524.db2.gz ZBULIXZGJMHDTP-GBJNBNQZSA-N 2 1 391.563 3.686 20 0 GHADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000512617937 844775786 /nfs/dbraw/zinc/77/57/86/844775786.db2.gz HAMVVXSFDZARRW-FDFHNCONSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1cc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1C[NH+](C)C ZINC000458295436 844803239 /nfs/dbraw/zinc/80/32/39/844803239.db2.gz WNHMJIQQXYSPJC-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP Cc1cc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1C[NH+](C)C ZINC000458295436 844803248 /nfs/dbraw/zinc/80/32/48/844803248.db2.gz WNHMJIQQXYSPJC-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP c1ncn(-c2cccc(C[NH2+][C@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)n1 ZINC000512626311 844805107 /nfs/dbraw/zinc/80/51/07/844805107.db2.gz TUSCCMDOZCYPKP-XWGVYQGASA-N 2 1 387.531 3.658 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000509776841 845132554 /nfs/dbraw/zinc/13/25/54/845132554.db2.gz MTYQJFBNLZZCJZ-FRVYCDFKSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000509776841 845132754 /nfs/dbraw/zinc/13/27/54/845132754.db2.gz MTYQJFBNLZZCJZ-FRVYCDFKSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000509776841 845132933 /nfs/dbraw/zinc/13/29/33/845132933.db2.gz MTYQJFBNLZZCJZ-FRVYCDFKSA-N 2 1 398.595 3.602 20 0 GHADMP CCC(CC)(C[NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000236641611 845147954 /nfs/dbraw/zinc/14/79/54/845147954.db2.gz FSLGGLBWTYVQCY-UHFFFAOYSA-N 2 1 385.474 3.505 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000513267161 845158230 /nfs/dbraw/zinc/15/82/30/845158230.db2.gz KOHWQCCPFCQSAQ-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513267161 845158241 /nfs/dbraw/zinc/15/82/41/845158241.db2.gz KOHWQCCPFCQSAQ-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513267161 845158249 /nfs/dbraw/zinc/15/82/49/845158249.db2.gz KOHWQCCPFCQSAQ-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP c1cn(-c2ncccc2C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000248399448 845299419 /nfs/dbraw/zinc/29/94/19/845299419.db2.gz JVZAIKOKHKIAGY-VABKMULXSA-N 2 1 387.531 3.658 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cccs1 ZINC000433109254 845317545 /nfs/dbraw/zinc/31/75/45/845317545.db2.gz DECKKRZRDWKITL-LJQANCHMSA-N 2 1 397.588 3.913 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262336682 845336331 /nfs/dbraw/zinc/33/63/31/845336331.db2.gz SHCPDKANIOYFEP-VEXRBCSZSA-N 2 1 383.580 3.652 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccc(-n2cnnn2)cc1 ZINC000510995551 845345778 /nfs/dbraw/zinc/34/57/78/845345778.db2.gz FGTAHLBRPVDMTK-AVRDEDQJSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccc(-n2cnnn2)cc1 ZINC000510995551 845345800 /nfs/dbraw/zinc/34/58/00/845345800.db2.gz FGTAHLBRPVDMTK-AVRDEDQJSA-N 2 1 390.535 3.614 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N(C1CC1)C1CCCC1 ZINC000433117345 845371806 /nfs/dbraw/zinc/37/18/06/845371806.db2.gz UPZFOFSLISCRDT-UHFFFAOYSA-N 2 1 395.591 3.908 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1F ZINC000411540244 845565301 /nfs/dbraw/zinc/56/53/01/845565301.db2.gz ZAYMEOIONODKPP-CYGODWOOSA-N 2 1 383.511 3.901 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000411548554 845578684 /nfs/dbraw/zinc/57/86/84/845578684.db2.gz FDJCEZZJBQJFJB-XMSQKQJNSA-N 2 1 381.520 3.524 20 0 GHADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1OCc1ccncc1 ZINC000105443078 845993615 /nfs/dbraw/zinc/99/36/15/845993615.db2.gz PYDVXTWOHJEPGU-KRWDZBQOSA-N 2 1 380.492 3.600 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000582030285 846102726 /nfs/dbraw/zinc/10/27/26/846102726.db2.gz LNSPRBCJWMEQJJ-SFHVURJKSA-N 2 1 388.506 3.931 20 0 GHADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1 ZINC000502547647 846187181 /nfs/dbraw/zinc/18/71/81/846187181.db2.gz WFYLPRDABNXKNI-REWPJTCUSA-N 2 1 396.575 3.636 20 0 GHADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1 ZINC000502547647 846187188 /nfs/dbraw/zinc/18/71/88/846187188.db2.gz WFYLPRDABNXKNI-REWPJTCUSA-N 2 1 396.575 3.636 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc4c(OC)cccc34)CC2)CC1 ZINC000421381467 846197372 /nfs/dbraw/zinc/19/73/72/846197372.db2.gz WOVGLMZJFVODGK-UHFFFAOYSA-N 2 1 381.564 3.840 20 0 GHADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)c1C ZINC000414530051 846350301 /nfs/dbraw/zinc/35/03/01/846350301.db2.gz QLBWQTLYFMVAKE-FYYLOGMGSA-N 2 1 384.568 3.537 20 0 GHADMP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)c1C ZINC000414530051 846350319 /nfs/dbraw/zinc/35/03/19/846350319.db2.gz QLBWQTLYFMVAKE-FYYLOGMGSA-N 2 1 384.568 3.537 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000502842281 846534515 /nfs/dbraw/zinc/53/45/15/846534515.db2.gz JEUCPBMLZHYPAU-QHAWAJNXSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000502842281 846534522 /nfs/dbraw/zinc/53/45/22/846534522.db2.gz JEUCPBMLZHYPAU-QHAWAJNXSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000502842281 846534528 /nfs/dbraw/zinc/53/45/28/846534528.db2.gz JEUCPBMLZHYPAU-QHAWAJNXSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000502842279 846535154 /nfs/dbraw/zinc/53/51/54/846535154.db2.gz JEUCPBMLZHYPAU-NJYVYQBISA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000502858150 846553960 /nfs/dbraw/zinc/55/39/60/846553960.db2.gz HOFQVFDQWWNBJQ-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000502858150 846553964 /nfs/dbraw/zinc/55/39/64/846553964.db2.gz HOFQVFDQWWNBJQ-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000502858150 846553967 /nfs/dbraw/zinc/55/39/67/846553967.db2.gz HOFQVFDQWWNBJQ-IFMALSPDSA-N 2 1 386.584 3.605 20 0 GHADMP CC(C)[C@@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501045355 846570835 /nfs/dbraw/zinc/57/08/35/846570835.db2.gz IWRRBOCIZKNDKF-XMMPIXPASA-N 2 1 394.563 3.743 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000502893758 846586165 /nfs/dbraw/zinc/58/61/65/846586165.db2.gz IRIFCGARUXGRND-WOJBJXKFSA-N 2 1 390.572 3.618 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000582189941 846607152 /nfs/dbraw/zinc/60/71/52/846607152.db2.gz GFGCPLYUCGMCIQ-UHFFFAOYSA-N 2 1 395.950 3.634 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1)c1ccccc1 ZINC000502957041 846663455 /nfs/dbraw/zinc/66/34/55/846663455.db2.gz DRXRFDKGWIVZJU-TYPHKJRUSA-N 2 1 384.568 3.576 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccc(F)cc1 ZINC000582240892 846697182 /nfs/dbraw/zinc/69/71/82/846697182.db2.gz RCHOVGDSSBZVOC-JTHBVZDNSA-N 2 1 382.523 3.764 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccc(F)cc1 ZINC000582240892 846697191 /nfs/dbraw/zinc/69/71/91/846697191.db2.gz RCHOVGDSSBZVOC-JTHBVZDNSA-N 2 1 382.523 3.764 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCC1)c1ccccc1 ZINC000503080000 846782489 /nfs/dbraw/zinc/78/24/89/846782489.db2.gz DQCFYLQAFYFJKF-CEWLAPEOSA-N 2 1 384.568 3.576 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH2+][C@@H](C)c1ccccc1 ZINC000503079082 846783274 /nfs/dbraw/zinc/78/32/74/846783274.db2.gz AMWKDZKRAUGAQX-TYPHKJRUSA-N 2 1 386.584 3.822 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000501321230 846832303 /nfs/dbraw/zinc/83/23/03/846832303.db2.gz KEORVHPQXWCFSZ-ZLNRFVROSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000501321230 846832304 /nfs/dbraw/zinc/83/23/04/846832304.db2.gz KEORVHPQXWCFSZ-ZLNRFVROSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000501321230 846832305 /nfs/dbraw/zinc/83/23/05/846832305.db2.gz KEORVHPQXWCFSZ-ZLNRFVROSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[C@H](NC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000422145081 846849807 /nfs/dbraw/zinc/84/98/07/846849807.db2.gz RWSQJCFTXGPVPR-QFIPXVFZSA-N 2 1 386.584 3.729 20 0 GHADMP CCC[C@H](NC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000422145081 846849811 /nfs/dbraw/zinc/84/98/11/846849811.db2.gz RWSQJCFTXGPVPR-QFIPXVFZSA-N 2 1 386.584 3.729 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562531 847110660 /nfs/dbraw/zinc/11/06/60/847110660.db2.gz GYYJJWOTWNNJKM-RDPSFJRHSA-N 2 1 391.559 3.809 20 0 GHADMP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000420330358 847126698 /nfs/dbraw/zinc/12/66/98/847126698.db2.gz BCLIUFPEYVNZCT-FUHWJXTLSA-N 2 1 382.335 3.563 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-n2cccn2)cc1 ZINC000272720844 847155190 /nfs/dbraw/zinc/15/51/90/847155190.db2.gz FJHMEXBPPRIHHA-CYFREDJKSA-N 2 1 390.531 3.680 20 0 GHADMP C[S@@](=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000582420296 847191862 /nfs/dbraw/zinc/19/18/62/847191862.db2.gz LMATZIKSKAMQOK-WXVAWEFUSA-N 2 1 382.573 3.852 20 0 GHADMP C[S@@](=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000582420296 847191867 /nfs/dbraw/zinc/19/18/67/847191867.db2.gz LMATZIKSKAMQOK-WXVAWEFUSA-N 2 1 382.573 3.852 20 0 GHADMP COc1cccc([C@H](C)[NH2+]CC2(C[NH2+][C@@H](C)c3cccc(OC)c3)COC2)c1 ZINC000272975855 847219434 /nfs/dbraw/zinc/21/94/34/847219434.db2.gz PRWCMIKVGBZLFG-ROUUACIJSA-N 2 1 384.520 3.722 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422244330 847487714 /nfs/dbraw/zinc/48/77/14/847487714.db2.gz KZBGJMCGGVVOQR-KMFTYDHNSA-N 2 1 378.605 3.545 20 0 GHADMP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000420946615 847568386 /nfs/dbraw/zinc/56/83/86/847568386.db2.gz BCSWQBFHYPBBJL-PKTZIBPZSA-N 2 1 399.966 3.707 20 0 GHADMP c1ccc2[nH]c(C3CC[NH+](Cc4ccc(C[NH+]5CCOCC5)cc4)CC3)nc2c1 ZINC000420942837 847586666 /nfs/dbraw/zinc/58/66/66/847586666.db2.gz VTVFNVPGALEIIV-UHFFFAOYSA-N 2 1 390.531 3.775 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361089 847639288 /nfs/dbraw/zinc/63/92/88/847639288.db2.gz LGYPAEINDYUCFU-JBACZVJFSA-N 2 1 398.551 3.530 20 0 GHADMP COc1cc(C)c(C[C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1OC ZINC000502268096 847697703 /nfs/dbraw/zinc/69/77/03/847697703.db2.gz LJWVUPOCHNDFMV-GOSISDBHSA-N 2 1 383.536 3.905 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1c[nH+]ccc1N ZINC000422714098 847790254 /nfs/dbraw/zinc/79/02/54/847790254.db2.gz QSKSTKOUHNGXGY-AWEZNQCLSA-N 2 1 378.442 3.828 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1c(F)cccc1Cl ZINC000422796362 847826777 /nfs/dbraw/zinc/82/67/77/847826777.db2.gz JDYHZMGNFLYOKL-LUQKVYGDSA-N 2 1 376.903 3.713 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062405 847841820 /nfs/dbraw/zinc/84/18/20/847841820.db2.gz QVMQJWNDQZEKND-SFHVURJKSA-N 2 1 383.536 3.996 20 0 GHADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc(Br)c1OC ZINC000422937441 847898267 /nfs/dbraw/zinc/89/82/67/847898267.db2.gz CKRKOKVAQOGJPD-DYVFJYSZSA-N 2 1 393.325 3.514 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000503737798 847929095 /nfs/dbraw/zinc/92/90/95/847929095.db2.gz QDAQBYTYIVNYOI-HXUWFJFHSA-N 2 1 394.563 3.643 20 0 GHADMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nc12 ZINC000423039778 847951090 /nfs/dbraw/zinc/95/10/90/847951090.db2.gz RPMKLASDEGBVHM-KZNAEPCWSA-N 2 1 391.357 3.806 20 0 GHADMP COc1ccc([C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423090893 847975731 /nfs/dbraw/zinc/97/57/31/847975731.db2.gz YTFMDYRNIYLRNE-QDSKXPNFSA-N 2 1 379.548 3.600 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(OC(F)F)c(Cl)c3)cc2)C1 ZINC000657595026 848288048 /nfs/dbraw/zinc/28/80/48/848288048.db2.gz MJGFDJMHQTYVRF-QGZVFWFLSA-N 2 1 396.865 3.798 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657598022 848301303 /nfs/dbraw/zinc/30/13/03/848301303.db2.gz XAUMKVGNOSJARD-MFGYPMPUSA-N 2 1 380.532 3.593 20 0 GHADMP Clc1cc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc2c1OCCO2 ZINC000237816230 848684703 /nfs/dbraw/zinc/68/47/03/848684703.db2.gz RTKVQOMWZJRRTC-UHFFFAOYSA-N 2 1 386.923 3.908 20 0 GHADMP COc1ccc([C@H](C)C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000180065634 861931748 /nfs/dbraw/zinc/93/17/48/861931748.db2.gz WQLUIZLDNURZDB-OAQYLSRUSA-N 2 1 381.564 3.548 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000472272991 848747416 /nfs/dbraw/zinc/74/74/16/848747416.db2.gz HQDNSTGNCWNRIP-UXHICEINSA-N 2 1 389.584 3.878 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000472272991 848747421 /nfs/dbraw/zinc/74/74/21/848747421.db2.gz HQDNSTGNCWNRIP-UXHICEINSA-N 2 1 389.584 3.878 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000673848512 861955929 /nfs/dbraw/zinc/95/59/29/861955929.db2.gz VORGHFYFQZCNTH-IBGZPJMESA-N 2 1 380.536 3.877 20 0 GHADMP [NH3+]Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000238067109 848949800 /nfs/dbraw/zinc/94/98/00/848949800.db2.gz JJPMDCOXGOGQJD-NRFANRHFSA-N 2 1 391.540 3.736 20 0 GHADMP [NH3+]Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000238067109 848949801 /nfs/dbraw/zinc/94/98/01/848949801.db2.gz JJPMDCOXGOGQJD-NRFANRHFSA-N 2 1 391.540 3.736 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000458442203 849396910 /nfs/dbraw/zinc/39/69/10/849396910.db2.gz WGUHZJAHDDNDHU-FUHWJXTLSA-N 2 1 380.602 3.551 20 0 GHADMP c1nn(Cc2ccccc2)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000583291953 849555564 /nfs/dbraw/zinc/55/55/64/849555564.db2.gz MXKBUDXSBQJZDW-DQEYMECFSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000583291953 849555567 /nfs/dbraw/zinc/55/55/67/849555567.db2.gz MXKBUDXSBQJZDW-DQEYMECFSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000583291953 849555569 /nfs/dbraw/zinc/55/55/69/849555569.db2.gz MXKBUDXSBQJZDW-DQEYMECFSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000583291953 849555573 /nfs/dbraw/zinc/55/55/73/849555573.db2.gz MXKBUDXSBQJZDW-DQEYMECFSA-N 2 1 386.543 3.885 20 0 GHADMP c1nn(Cc2ccccc2)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000583291953 849555578 /nfs/dbraw/zinc/55/55/78/849555578.db2.gz MXKBUDXSBQJZDW-DQEYMECFSA-N 2 1 386.543 3.885 20 0 GHADMP CN(C)C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423104787 849754699 /nfs/dbraw/zinc/75/46/99/849754699.db2.gz MRCZMQMJRIRVNA-URVUXULASA-N 2 1 385.939 3.788 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853192 849758646 /nfs/dbraw/zinc/75/86/46/849758646.db2.gz SEDNDHCWNHMEMH-DYVFJYSZSA-N 2 1 387.446 3.800 20 0 GHADMP CCc1ccc([C@@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC[NH2+]2)cc1 ZINC000505543589 849827677 /nfs/dbraw/zinc/82/76/77/849827677.db2.gz TVSJZLHSCYXWDS-DEOSSOPVSA-N 2 1 391.559 3.634 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425224276 849850713 /nfs/dbraw/zinc/85/07/13/849850713.db2.gz DEUXAIBZXIQPIP-CYBMUJFWSA-N 2 1 378.314 3.784 20 0 GHADMP C[C@H]1C[C@H](C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000414733818 849868866 /nfs/dbraw/zinc/86/88/66/849868866.db2.gz DBCGKZUXRNMXIH-DOTOQJQBSA-N 2 1 381.358 3.818 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC[C@H]3CCC[NH2+]3)s2)cc1OC ZINC000423353209 849880025 /nfs/dbraw/zinc/88/00/25/849880025.db2.gz BFVCGHMILLTVFH-RHSMWYFYSA-N 2 1 389.565 3.852 20 0 GHADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423508940 849949151 /nfs/dbraw/zinc/94/91/51/849949151.db2.gz LRPVLKJHLMQVBX-DZIBYMRMSA-N 2 1 383.502 3.833 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000504427643 850060441 /nfs/dbraw/zinc/06/04/41/850060441.db2.gz SINKSARGWNRXKT-IRLDBZIGSA-N 2 1 388.600 3.657 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423835494 850069803 /nfs/dbraw/zinc/06/98/03/850069803.db2.gz VKAVBXNTYULAML-QKMWGZLOSA-N 2 1 389.902 3.922 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000439592153 850171128 /nfs/dbraw/zinc/17/11/28/850171128.db2.gz GNKKWYPJKZEDNM-HSZRJFAPSA-N 2 1 389.499 3.807 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000514829706 850334373 /nfs/dbraw/zinc/33/43/73/850334373.db2.gz VVPWMADQCQYCJJ-FQEVSTJZSA-N 2 1 394.991 3.706 20 0 GHADMP CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000487030409 850378622 /nfs/dbraw/zinc/37/86/22/850378622.db2.gz IMOVBGCVQPSIHV-NRFANRHFSA-N 2 1 383.580 3.764 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424371672 850410515 /nfs/dbraw/zinc/41/05/15/850410515.db2.gz DXRJTCMNRBHRFH-SFHVURJKSA-N 2 1 381.520 3.633 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cnn(-c3ccc(Br)cc3)c1)CC[NH2+]CC2 ZINC000424375817 850413892 /nfs/dbraw/zinc/41/38/92/850413892.db2.gz KDJMXIVGZQIMRX-HNNXBMFYSA-N 2 1 389.341 3.599 20 0 GHADMP CCC[N@@H+](Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C1CC[NH2+]CC1 ZINC000435376228 850425330 /nfs/dbraw/zinc/42/53/30/850425330.db2.gz YZSUBTNDVSHLDS-UHFFFAOYSA-N 2 1 381.520 3.912 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000481724025 862129921 /nfs/dbraw/zinc/12/99/21/862129921.db2.gz LVCBBDHBWHLJKR-YFNKSVMNSA-N 2 1 387.612 3.859 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000424425248 850459369 /nfs/dbraw/zinc/45/93/69/850459369.db2.gz JKVXEPLQNCPPNU-UYAOXDASSA-N 2 1 380.536 3.876 20 0 GHADMP COCCOc1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435433281 850491342 /nfs/dbraw/zinc/49/13/42/850491342.db2.gz QVKZWOIGFSCBFR-OAQYLSRUSA-N 2 1 386.561 3.918 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414795917 850516108 /nfs/dbraw/zinc/51/61/08/850516108.db2.gz XSVWMOVTKRFTAC-UHFFFAOYSA-N 2 1 377.330 3.600 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)c2)C[C@H](C)O1 ZINC000439958198 850627633 /nfs/dbraw/zinc/62/76/33/850627633.db2.gz QSXCQNKUMHEAOK-KGVIQGDOSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C3CCCC3)c2)C[C@H](C)O1 ZINC000439958198 850627637 /nfs/dbraw/zinc/62/76/37/850627637.db2.gz QSXCQNKUMHEAOK-KGVIQGDOSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)c2)C[C@H](C)O1 ZINC000439958198 850627643 /nfs/dbraw/zinc/62/76/43/850627643.db2.gz QSXCQNKUMHEAOK-KGVIQGDOSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)c2)C[C@H](C)O1 ZINC000439958198 850627646 /nfs/dbraw/zinc/62/76/46/850627646.db2.gz QSXCQNKUMHEAOK-KGVIQGDOSA-N 2 1 385.552 3.641 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c(Br)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000487552314 850719332 /nfs/dbraw/zinc/71/93/32/850719332.db2.gz PUZRRCSFPUTORY-NVXWUHKLSA-N 2 1 391.357 3.573 20 0 GHADMP C[C@@H](NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000435682380 850747752 /nfs/dbraw/zinc/74/77/52/850747752.db2.gz NATOTGBJNPNWSH-QAPCUYQASA-N 2 1 389.590 3.631 20 0 GHADMP C[C@@H](NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000435682380 850747757 /nfs/dbraw/zinc/74/77/57/850747757.db2.gz NATOTGBJNPNWSH-QAPCUYQASA-N 2 1 389.590 3.631 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000515383120 850971561 /nfs/dbraw/zinc/97/15/61/850971561.db2.gz SARYGLPLISSJJP-VWPQPMDRSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000515383120 850971565 /nfs/dbraw/zinc/97/15/65/850971565.db2.gz SARYGLPLISSJJP-VWPQPMDRSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000514033244 851148975 /nfs/dbraw/zinc/14/89/75/851148975.db2.gz RHBATIYWLFVOEX-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP Cn1c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nnc1C1CCC1 ZINC000366586694 851232548 /nfs/dbraw/zinc/23/25/48/851232548.db2.gz AQLNXSXXZAWFMJ-UHFFFAOYSA-N 2 1 379.552 3.571 20 0 GHADMP Cn1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nnc1C1CCC1 ZINC000366586694 851232560 /nfs/dbraw/zinc/23/25/60/851232560.db2.gz AQLNXSXXZAWFMJ-UHFFFAOYSA-N 2 1 379.552 3.571 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000514104466 851242876 /nfs/dbraw/zinc/24/28/76/851242876.db2.gz KAMGGMMPQYKLCT-LJQANCHMSA-N 2 1 375.520 3.891 20 0 GHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000434544910 851262841 /nfs/dbraw/zinc/26/28/41/851262841.db2.gz PVDUTGADEVWAKK-MJGOQNOKSA-N 2 1 377.598 3.882 20 0 GHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000434544910 851262853 /nfs/dbraw/zinc/26/28/53/851262853.db2.gz PVDUTGADEVWAKK-MJGOQNOKSA-N 2 1 377.598 3.882 20 0 GHADMP Cc1ccc2c(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)ccc(O)c2n1 ZINC000514145601 851292340 /nfs/dbraw/zinc/29/23/40/851292340.db2.gz OOBWTFRGBVJQFF-UHFFFAOYSA-N 2 1 376.504 3.992 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000475035098 862280164 /nfs/dbraw/zinc/28/01/64/862280164.db2.gz UOLDEFJWLUORGP-XZOQPEGZSA-N 2 1 377.532 3.557 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)c1 ZINC000473731102 851767938 /nfs/dbraw/zinc/76/79/38/851767938.db2.gz DDEFKFJBPZZNIK-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000473731102 851767942 /nfs/dbraw/zinc/76/79/42/851767942.db2.gz DDEFKFJBPZZNIK-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000473731102 851767945 /nfs/dbraw/zinc/76/79/45/851767945.db2.gz DDEFKFJBPZZNIK-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489058748 851974699 /nfs/dbraw/zinc/97/46/99/851974699.db2.gz PRHFOABCXPRMRB-QHCPKHFHSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000550227718 852053282 /nfs/dbraw/zinc/05/32/82/852053282.db2.gz JDOQVAASKVLKSV-REWPJTCUSA-N 2 1 379.548 3.666 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000550227718 852053288 /nfs/dbraw/zinc/05/32/88/852053288.db2.gz JDOQVAASKVLKSV-REWPJTCUSA-N 2 1 379.548 3.666 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517543229 852073790 /nfs/dbraw/zinc/07/37/90/852073790.db2.gz NXEKXIWOSCARGC-BGYRXZFFSA-N 2 1 394.648 3.896 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517543229 852073800 /nfs/dbraw/zinc/07/38/00/852073800.db2.gz NXEKXIWOSCARGC-BGYRXZFFSA-N 2 1 394.648 3.896 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517543229 852073804 /nfs/dbraw/zinc/07/38/04/852073804.db2.gz NXEKXIWOSCARGC-BGYRXZFFSA-N 2 1 394.648 3.896 20 0 GHADMP CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000516032768 852089941 /nfs/dbraw/zinc/08/99/41/852089941.db2.gz COMFCFAELOCGDY-XNOWSJKESA-N 2 1 383.580 3.714 20 0 GHADMP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000473815515 852149018 /nfs/dbraw/zinc/14/90/18/852149018.db2.gz DCUMZVVUEZZIFB-SEDAZVQISA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000473815515 852149026 /nfs/dbraw/zinc/14/90/26/852149026.db2.gz DCUMZVVUEZZIFB-SEDAZVQISA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+]1[C@H](C)CC[C@@H]1C ZINC000473815515 852149031 /nfs/dbraw/zinc/14/90/31/852149031.db2.gz DCUMZVVUEZZIFB-SEDAZVQISA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]2C1 ZINC001167962564 852198820 /nfs/dbraw/zinc/19/88/20/852198820.db2.gz YQTPPLOANQIDGM-PHEVELBBSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167962591 852217652 /nfs/dbraw/zinc/21/76/52/852217652.db2.gz YVYOYUKPLOUORU-FBVQUNGASA-N 2 1 399.526 3.626 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000516181252 852226995 /nfs/dbraw/zinc/22/69/95/852226995.db2.gz FHGRVVVEHVZCRN-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000516242703 852316639 /nfs/dbraw/zinc/31/66/39/852316639.db2.gz OICUSTGNRPAVQK-AQNXPRMDSA-N 2 1 388.600 3.692 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4c(cccc4C(C)C)C3)CC2)CC1 ZINC000570459853 852337219 /nfs/dbraw/zinc/33/72/19/852337219.db2.gz HPDJELKTBTXAQL-UHFFFAOYSA-N 2 1 397.607 3.891 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000438427351 852365271 /nfs/dbraw/zinc/36/52/71/852365271.db2.gz CPIOCWIEEOYMAS-HXUWFJFHSA-N 2 1 390.572 3.662 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506946799 852392306 /nfs/dbraw/zinc/39/23/06/852392306.db2.gz BWVBXQYWBSPCIM-WIYBCGNWSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506946799 852392312 /nfs/dbraw/zinc/39/23/12/852392312.db2.gz BWVBXQYWBSPCIM-WIYBCGNWSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506946799 852392316 /nfs/dbraw/zinc/39/23/16/852392316.db2.gz BWVBXQYWBSPCIM-WIYBCGNWSA-N 2 1 392.632 3.649 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000489524746 852408665 /nfs/dbraw/zinc/40/86/65/852408665.db2.gz WGYTWUJAKVFXCB-FQEVSTJZSA-N 2 1 390.572 3.662 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)c2cccs2)CC1 ZINC000517865911 852550719 /nfs/dbraw/zinc/55/07/19/852550719.db2.gz VYQIYVCZOUWAKM-LJQANCHMSA-N 2 1 392.613 3.695 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000517893723 852584573 /nfs/dbraw/zinc/58/45/73/852584573.db2.gz LCIRMRXOOHJKKZ-NRFANRHFSA-N 2 1 380.536 3.774 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489786951 852585631 /nfs/dbraw/zinc/58/56/31/852585631.db2.gz NYLJGNONTAGGHL-BVYCBKJFSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1c2cccc(Cl)c2sc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000516496050 852647399 /nfs/dbraw/zinc/64/73/99/852647399.db2.gz XFGDORDQTSIDRN-QGZVFWFLSA-N 2 1 393.984 3.895 20 0 GHADMP Cc1c2cccc(Cl)c2sc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000516496050 852647405 /nfs/dbraw/zinc/64/74/05/852647405.db2.gz XFGDORDQTSIDRN-QGZVFWFLSA-N 2 1 393.984 3.895 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000516638792 852812039 /nfs/dbraw/zinc/81/20/39/852812039.db2.gz USXCWDIVKUDMNC-GCJKJVERSA-N 2 1 396.535 3.634 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000516638791 852812116 /nfs/dbraw/zinc/81/21/16/852812116.db2.gz USXCWDIVKUDMNC-AVRDEDQJSA-N 2 1 396.535 3.634 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000507355778 852822704 /nfs/dbraw/zinc/82/27/04/852822704.db2.gz CZYFZECOWMBMQY-QHCPKHFHSA-N 2 1 382.548 3.898 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000507355778 852822713 /nfs/dbraw/zinc/82/27/13/852822713.db2.gz CZYFZECOWMBMQY-QHCPKHFHSA-N 2 1 382.548 3.898 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414953976 852867170 /nfs/dbraw/zinc/86/71/70/852867170.db2.gz SDJREBUEGNXWIU-UKRRQHHQSA-N 2 1 385.346 3.867 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000516679780 852878990 /nfs/dbraw/zinc/87/89/90/852878990.db2.gz KGZKPGSTGHRBCH-UHFFFAOYSA-N 2 1 384.549 3.806 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000507439265 852914969 /nfs/dbraw/zinc/91/49/69/852914969.db2.gz CIHRAMMKMWRFBI-MQSCRBSSSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507439265 852914974 /nfs/dbraw/zinc/91/49/74/852914974.db2.gz CIHRAMMKMWRFBI-MQSCRBSSSA-N 2 1 392.547 3.549 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCOc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000518184065 853048764 /nfs/dbraw/zinc/04/87/64/853048764.db2.gz XZNYQWMOKBZPCC-LJQANCHMSA-N 2 1 380.488 3.581 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCOc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000518184065 853048770 /nfs/dbraw/zinc/04/87/70/853048770.db2.gz XZNYQWMOKBZPCC-LJQANCHMSA-N 2 1 380.488 3.581 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000518207880 853072216 /nfs/dbraw/zinc/07/22/16/853072216.db2.gz YDPPGRUJFLIIFB-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000438991946 853166977 /nfs/dbraw/zinc/16/69/77/853166977.db2.gz FFVIMTQUGCTWPT-INIZCTEOSA-N 2 1 382.508 3.677 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473758 853241574 /nfs/dbraw/zinc/24/15/74/853241574.db2.gz JHTLMHFONUYKJZ-QWFCFKBJSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473758 853241582 /nfs/dbraw/zinc/24/15/82/853241582.db2.gz JHTLMHFONUYKJZ-QWFCFKBJSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473758 853241585 /nfs/dbraw/zinc/24/15/85/853241585.db2.gz JHTLMHFONUYKJZ-QWFCFKBJSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473758 853241594 /nfs/dbraw/zinc/24/15/94/853241594.db2.gz JHTLMHFONUYKJZ-QWFCFKBJSA-N 2 1 380.960 3.666 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000517103923 853381193 /nfs/dbraw/zinc/38/11/93/853381193.db2.gz NVMOARIEBKFGKW-BEFAXECRSA-N 2 1 380.964 3.505 20 0 GHADMP COc1ccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccc(F)cc2)cc1 ZINC000491009570 853387174 /nfs/dbraw/zinc/38/71/74/853387174.db2.gz QSXLVTYIPMOZIE-HSZRJFAPSA-N 2 1 385.527 3.541 20 0 GHADMP c1cn(-c2csc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)c2)cn1 ZINC000519728418 853412393 /nfs/dbraw/zinc/41/23/93/853412393.db2.gz DZUHPXQGRMUVNB-VQTJNVASSA-N 2 1 378.545 3.888 20 0 GHADMP c1cn(-c2csc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)c2)cn1 ZINC000519728418 853412404 /nfs/dbraw/zinc/41/24/04/853412404.db2.gz DZUHPXQGRMUVNB-VQTJNVASSA-N 2 1 378.545 3.888 20 0 GHADMP c1cn(-c2csc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2)cn1 ZINC000519728418 853412415 /nfs/dbraw/zinc/41/24/15/853412415.db2.gz DZUHPXQGRMUVNB-VQTJNVASSA-N 2 1 378.545 3.888 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2)CC1 ZINC000518531071 853457112 /nfs/dbraw/zinc/45/71/12/853457112.db2.gz GVXKRKTVGDRXKV-GMAHTHKFSA-N 2 1 398.595 3.776 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000437846357 853588284 /nfs/dbraw/zinc/58/82/84/853588284.db2.gz RMUJKYHZKKXODI-JTHBVZDNSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000437846357 853588289 /nfs/dbraw/zinc/58/82/89/853588289.db2.gz RMUJKYHZKKXODI-JTHBVZDNSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000437846357 853588297 /nfs/dbraw/zinc/58/82/97/853588297.db2.gz RMUJKYHZKKXODI-JTHBVZDNSA-N 2 1 398.595 3.605 20 0 GHADMP Cc1ccccc1C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000519906506 853596649 /nfs/dbraw/zinc/59/66/49/853596649.db2.gz GXMQCDICIIPKJW-UHFFFAOYSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccccc1C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000519906506 853596658 /nfs/dbraw/zinc/59/66/58/853596658.db2.gz GXMQCDICIIPKJW-UHFFFAOYSA-N 2 1 391.559 3.740 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998537 853649708 /nfs/dbraw/zinc/64/97/08/853649708.db2.gz ICTZAUNZQPDNJA-XVFIICMOSA-N 2 1 381.539 3.944 20 0 GHADMP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)o2)cc1 ZINC000439476384 853689143 /nfs/dbraw/zinc/68/91/43/853689143.db2.gz HDXZKPAZJNFJMZ-IBGZPJMESA-N 2 1 397.563 3.921 20 0 GHADMP CC(C)(C)c1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)o2)cc1 ZINC000439476384 853689150 /nfs/dbraw/zinc/68/91/50/853689150.db2.gz HDXZKPAZJNFJMZ-IBGZPJMESA-N 2 1 397.563 3.921 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cccc(Br)c2F)no1 ZINC001212145388 853720595 /nfs/dbraw/zinc/72/05/95/853720595.db2.gz RQIURKHMKFNHSW-ZDUSSCGKSA-N 2 1 385.281 3.806 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)C2 ZINC000571376237 853857514 /nfs/dbraw/zinc/85/75/14/853857514.db2.gz XMZBPNOCYWYLHL-XWVZOOPGSA-N 2 1 376.548 3.675 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000520165869 853918603 /nfs/dbraw/zinc/91/86/03/853918603.db2.gz UAROKSALCXFORE-OAQYLSRUSA-N 2 1 389.559 3.618 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571565932 853951279 /nfs/dbraw/zinc/95/12/79/853951279.db2.gz NPLFBCIMYODJRS-QRQLOZEOSA-N 2 1 397.485 3.737 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c(-c2ccccc2)nc2ccccn21 ZINC000441262390 854045199 /nfs/dbraw/zinc/04/51/99/854045199.db2.gz IHSLOCOEMGOGSO-KCZVDYSFSA-N 2 1 390.531 3.685 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1(C)C ZINC000441347901 854139332 /nfs/dbraw/zinc/13/93/32/854139332.db2.gz BGNGWAGEGMIQOA-UHFFFAOYSA-N 2 1 397.407 3.840 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000624011914 862581292 /nfs/dbraw/zinc/58/12/92/862581292.db2.gz MFCBMPJMOCGWCO-PGRDOPGGSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000624011914 862581301 /nfs/dbraw/zinc/58/13/01/862581301.db2.gz MFCBMPJMOCGWCO-PGRDOPGGSA-N 2 1 390.531 3.505 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CCO2)cc1 ZINC001168599990 854636981 /nfs/dbraw/zinc/63/69/81/854636981.db2.gz IRBDFGCWZGMDPA-SMQFJCFBSA-N 2 1 378.516 3.635 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CCO2)cc1 ZINC001168599990 854636982 /nfs/dbraw/zinc/63/69/82/854636982.db2.gz IRBDFGCWZGMDPA-SMQFJCFBSA-N 2 1 378.516 3.635 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000069594271 854679427 /nfs/dbraw/zinc/67/94/27/854679427.db2.gz CUOSQWQKCVEEAA-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000567851386 862592088 /nfs/dbraw/zinc/59/20/88/862592088.db2.gz DUAOIXOOZPHKFB-LJQANCHMSA-N 2 1 383.561 3.655 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000567851386 862592106 /nfs/dbraw/zinc/59/21/06/862592106.db2.gz DUAOIXOOZPHKFB-LJQANCHMSA-N 2 1 383.561 3.655 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000074319700 854741742 /nfs/dbraw/zinc/74/17/42/854741742.db2.gz KCWLELRVBJIBNV-NRFANRHFSA-N 2 1 375.532 3.589 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000074319700 854741746 /nfs/dbraw/zinc/74/17/46/854741746.db2.gz KCWLELRVBJIBNV-NRFANRHFSA-N 2 1 375.532 3.589 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441448935 854903397 /nfs/dbraw/zinc/90/33/97/854903397.db2.gz MDAJFZPJZJAESY-NVXWUHKLSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441448935 854903407 /nfs/dbraw/zinc/90/34/07/854903407.db2.gz MDAJFZPJZJAESY-NVXWUHKLSA-N 2 1 387.351 3.541 20 0 GHADMP CCN(C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000590011892 855226877 /nfs/dbraw/zinc/22/68/77/855226877.db2.gz XDUQADUPVHPGCW-UHFFFAOYSA-N 2 1 379.548 3.884 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000674013363 862657878 /nfs/dbraw/zinc/65/78/78/862657878.db2.gz FRXXMSXIJBFJBF-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674013363 862657887 /nfs/dbraw/zinc/65/78/87/862657887.db2.gz FRXXMSXIJBFJBF-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674013363 862657896 /nfs/dbraw/zinc/65/78/96/862657896.db2.gz FRXXMSXIJBFJBF-FCHUYYIVSA-N 2 1 383.580 3.669 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1)CC(C)C ZINC000459104458 855524841 /nfs/dbraw/zinc/52/48/41/855524841.db2.gz MNOVOJWESJZZBR-UHFFFAOYSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000590786478 855585678 /nfs/dbraw/zinc/58/56/78/855585678.db2.gz BSFNWXBNIHQLBN-MRXNPFEDSA-N 2 1 389.367 3.785 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000573051126 855705131 /nfs/dbraw/zinc/70/51/31/855705131.db2.gz CRXLYMKCHZVRQY-GASCZTMLSA-N 2 1 386.458 3.732 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)C[C@H](C)O1 ZINC000573051126 855705137 /nfs/dbraw/zinc/70/51/37/855705137.db2.gz CRXLYMKCHZVRQY-GASCZTMLSA-N 2 1 386.458 3.732 20 0 GHADMP CC[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000669401870 855855022 /nfs/dbraw/zinc/85/50/22/855855022.db2.gz XYYXSSQTCVAMJU-AVRDEDQJSA-N 2 1 386.584 3.720 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591430746 855974793 /nfs/dbraw/zinc/97/47/93/855974793.db2.gz RTYUDWJVGNGTRM-UXHICEINSA-N 2 1 387.568 3.544 20 0 GHADMP CSCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000921712344 855981546 /nfs/dbraw/zinc/98/15/46/855981546.db2.gz QOCXYKKDGZQQIO-QFIPXVFZSA-N 2 1 397.588 3.537 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C[C@H]1C ZINC000674031767 862749931 /nfs/dbraw/zinc/74/99/31/862749931.db2.gz ZLNLBKYUYRMRHZ-BAGYTPMASA-N 2 1 386.584 3.728 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000520703812 856074553 /nfs/dbraw/zinc/07/45/53/856074553.db2.gz UYRQHMUGLLCVBD-UGKGYDQZSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000520703812 856074557 /nfs/dbraw/zinc/07/45/57/856074557.db2.gz UYRQHMUGLLCVBD-UGKGYDQZSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000520703812 856074561 /nfs/dbraw/zinc/07/45/61/856074561.db2.gz UYRQHMUGLLCVBD-UGKGYDQZSA-N 2 1 398.595 3.877 20 0 GHADMP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459170844 856204796 /nfs/dbraw/zinc/20/47/96/856204796.db2.gz XDNYXQSTGGEKCG-DENIHFKCSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000459170844 856204805 /nfs/dbraw/zinc/20/48/05/856204805.db2.gz XDNYXQSTGGEKCG-DENIHFKCSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000459170844 856204815 /nfs/dbraw/zinc/20/48/15/856204815.db2.gz XDNYXQSTGGEKCG-DENIHFKCSA-N 2 1 386.584 3.728 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1 ZINC000485397794 856441615 /nfs/dbraw/zinc/44/16/15/856441615.db2.gz CMLFYVWSTGWRTG-UXHICEINSA-N 2 1 388.600 3.879 20 0 GHADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000573727390 856455072 /nfs/dbraw/zinc/45/50/72/856455072.db2.gz QYDXQONLAHSTAC-VAMGGRTRSA-N 2 1 392.559 3.737 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000043136964 856491014 /nfs/dbraw/zinc/49/10/14/856491014.db2.gz IRIFCGARUXGRND-PMACEKPBSA-N 2 1 390.572 3.618 20 0 GHADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000573818457 856502783 /nfs/dbraw/zinc/50/27/83/856502783.db2.gz ZMYDPKRXCCRWLN-BJKOFHAPSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000573818457 856502800 /nfs/dbraw/zinc/50/28/00/856502800.db2.gz ZMYDPKRXCCRWLN-BJKOFHAPSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000573818457 856502810 /nfs/dbraw/zinc/50/28/10/856502810.db2.gz ZMYDPKRXCCRWLN-BJKOFHAPSA-N 2 1 382.523 3.717 20 0 GHADMP O=C(Nc1nc(CN2CCCCC2)cs1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043517516 856537348 /nfs/dbraw/zinc/53/73/48/856537348.db2.gz MONYWBWUYRRVBP-SFHVURJKSA-N 2 1 399.564 3.525 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3sccc3Br)CC2)C[C@H](C)O1 ZINC000110432584 856546814 /nfs/dbraw/zinc/54/68/14/856546814.db2.gz UUKOAPOAWAGLQI-OKILXGFUSA-N 2 1 387.387 3.832 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3sccc3Br)CC2)C[C@H](C)O1 ZINC000110432584 856546845 /nfs/dbraw/zinc/54/68/45/856546845.db2.gz UUKOAPOAWAGLQI-OKILXGFUSA-N 2 1 387.387 3.832 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1Br ZINC000507895107 856641847 /nfs/dbraw/zinc/64/18/47/856641847.db2.gz ZXXIBIIZYUPCAN-INIZCTEOSA-N 2 1 382.346 3.714 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1Br ZINC000507895107 856641853 /nfs/dbraw/zinc/64/18/53/856641853.db2.gz ZXXIBIIZYUPCAN-INIZCTEOSA-N 2 1 382.346 3.714 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1SC ZINC000508044707 856849187 /nfs/dbraw/zinc/84/91/87/856849187.db2.gz MCBWESFQDACXNH-QZTJIDSGSA-N 2 1 392.613 3.527 20 0 GHADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000592831187 857081900 /nfs/dbraw/zinc/08/19/00/857081900.db2.gz INBPDSJONPODRU-UHFFFAOYSA-N 2 1 379.548 3.907 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000465959543 857243698 /nfs/dbraw/zinc/24/36/98/857243698.db2.gz UWMRXTHRTFZWOD-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000465959543 857243702 /nfs/dbraw/zinc/24/37/02/857243702.db2.gz UWMRXTHRTFZWOD-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000465959543 857243712 /nfs/dbraw/zinc/24/37/12/857243712.db2.gz UWMRXTHRTFZWOD-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000574143308 857259008 /nfs/dbraw/zinc/25/90/08/857259008.db2.gz JRHHVBQHBJXFNZ-RBUKOAKNSA-N 2 1 375.900 3.713 20 0 GHADMP C[C@H](C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)NC(=O)OC(C)(C)C ZINC000785478831 857371515 /nfs/dbraw/zinc/37/15/15/857371515.db2.gz JNOJEPUPPVHUIK-QGZVFWFLSA-N 2 1 376.545 3.533 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC000520909509 857379219 /nfs/dbraw/zinc/37/92/19/857379219.db2.gz RGTSNLKGPMQWBT-NRFANRHFSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000520909509 857379234 /nfs/dbraw/zinc/37/92/34/857379234.db2.gz RGTSNLKGPMQWBT-NRFANRHFSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000520909509 857379245 /nfs/dbraw/zinc/37/92/45/857379245.db2.gz RGTSNLKGPMQWBT-NRFANRHFSA-N 2 1 380.621 3.795 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000574278043 857493251 /nfs/dbraw/zinc/49/32/51/857493251.db2.gz ZZMZIBKUZXNDCV-HBMCJLEFSA-N 2 1 396.531 3.842 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)[NH+](C)C)cc1 ZINC000061795647 857544696 /nfs/dbraw/zinc/54/46/96/857544696.db2.gz PVOCUYJWDHRBGM-QHCPKHFHSA-N 2 1 396.579 3.803 20 0 GHADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000108369516 857555262 /nfs/dbraw/zinc/55/52/62/857555262.db2.gz FEJXWWADTYJUPD-QFIPXVFZSA-N 2 1 385.577 3.806 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1F ZINC000181575042 862926263 /nfs/dbraw/zinc/92/62/63/862926263.db2.gz SCIRKSVZZJEWBT-MRXNPFEDSA-N 2 1 387.474 3.528 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000675750492 857586834 /nfs/dbraw/zinc/58/68/34/857586834.db2.gz BJZKNXMFOJNNGT-AUSIDOKSSA-N 2 1 379.548 3.969 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000675750492 857586842 /nfs/dbraw/zinc/58/68/42/857586842.db2.gz BJZKNXMFOJNNGT-AUSIDOKSSA-N 2 1 379.548 3.969 20 0 GHADMP OC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000451077505 857616066 /nfs/dbraw/zinc/61/60/66/857616066.db2.gz KNZGEGFAOLFNEG-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP OC[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000451077505 857616075 /nfs/dbraw/zinc/61/60/75/857616075.db2.gz KNZGEGFAOLFNEG-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP OC[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@H](CO)CC3)c2)CC1 ZINC000451077505 857616084 /nfs/dbraw/zinc/61/60/84/857616084.db2.gz KNZGEGFAOLFNEG-KDURUIRLSA-N 2 1 394.987 3.529 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000676001616 857704959 /nfs/dbraw/zinc/70/49/59/857704959.db2.gz MXVULGSRIXZUBE-YTFSRNRJSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000676056471 857720044 /nfs/dbraw/zinc/72/00/44/857720044.db2.gz ZYLZMGAMIDGLRJ-HNNXBMFYSA-N 2 1 377.916 3.925 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428249624 857750675 /nfs/dbraw/zinc/75/06/75/857750675.db2.gz TVFGPQZEZOCZTQ-TZRRMPRUSA-N 2 1 394.559 3.838 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428249619 857751208 /nfs/dbraw/zinc/75/12/08/857751208.db2.gz TVFGPQZEZOCZTQ-KMDXXIMOSA-N 2 1 394.559 3.838 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000065469732 857802009 /nfs/dbraw/zinc/80/20/09/857802009.db2.gz NGZBYBSHKLOFEM-RZUBCFFCSA-N 2 1 388.600 3.655 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486547056 857834109 /nfs/dbraw/zinc/83/41/09/857834109.db2.gz HTHRCNRKQUZBIS-IEBWSBKVSA-N 2 1 384.520 3.713 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486547056 857834115 /nfs/dbraw/zinc/83/41/15/857834115.db2.gz HTHRCNRKQUZBIS-IEBWSBKVSA-N 2 1 384.520 3.713 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000065992255 857914282 /nfs/dbraw/zinc/91/42/82/857914282.db2.gz VUIAUQQDIFNAKP-BGYRXZFFSA-N 2 1 385.596 3.771 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000594095271 857933129 /nfs/dbraw/zinc/93/31/29/857933129.db2.gz SYJPZBRGKGPAHT-NZQKXSOJSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000486715743 858018034 /nfs/dbraw/zinc/01/80/34/858018034.db2.gz WNAHEBNZHPPOHW-LJQANCHMSA-N 2 1 388.556 3.547 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@H](c2ccccc2)C1 ZINC000442704033 858063478 /nfs/dbraw/zinc/06/34/78/858063478.db2.gz BLRISKFRSRCLAT-CPJSRVTESA-N 2 1 388.559 3.604 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000521533242 858080261 /nfs/dbraw/zinc/08/02/61/858080261.db2.gz QSVIGYVDKHVPLR-HXUWFJFHSA-N 2 1 389.559 3.809 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCCCC1 ZINC000521533242 858080268 /nfs/dbraw/zinc/08/02/68/858080268.db2.gz QSVIGYVDKHVPLR-HXUWFJFHSA-N 2 1 389.559 3.809 20 0 GHADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000442864827 858183476 /nfs/dbraw/zinc/18/34/76/858183476.db2.gz DPFCCSCGXSUSLS-HSALFYBXSA-N 2 1 387.474 3.726 20 0 GHADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000442864827 858183487 /nfs/dbraw/zinc/18/34/87/858183487.db2.gz DPFCCSCGXSUSLS-HSALFYBXSA-N 2 1 387.474 3.726 20 0 GHADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871894 858188605 /nfs/dbraw/zinc/18/86/05/858188605.db2.gz MIMOJFNLSJLSDW-OAHLLOKOSA-N 2 1 390.572 3.934 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000442880642 858202658 /nfs/dbraw/zinc/20/26/58/858202658.db2.gz ZFGGHLJBSDSHJX-MOPGFXCFSA-N 2 1 383.502 3.957 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594518152 858206680 /nfs/dbraw/zinc/20/66/80/858206680.db2.gz CKDKYJUOOZSVQL-BTHPGYMESA-N 2 1 394.600 3.612 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1OC(F)F ZINC000442888985 858209680 /nfs/dbraw/zinc/20/96/80/858209680.db2.gz IOUFUSNKOGAHQD-CYBMUJFWSA-N 2 1 375.891 3.618 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067396 858334349 /nfs/dbraw/zinc/33/43/49/858334349.db2.gz GLXCAUHWJOGVME-NEPJUHHUSA-N 2 1 377.838 3.747 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000521852656 858368924 /nfs/dbraw/zinc/36/89/24/858368924.db2.gz VBJQWYZNFUWCLI-KNQAVFIVSA-N 2 1 397.567 3.600 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000574917377 858393744 /nfs/dbraw/zinc/39/37/44/858393744.db2.gz UOEFJILRBHMOEY-ZRGHVXQMSA-N 2 1 379.548 3.727 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000522116527 858639737 /nfs/dbraw/zinc/63/97/37/858639737.db2.gz GPNHJNTUDAUVLZ-BJKOFHAPSA-N 2 1 397.607 3.869 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1F ZINC000181949680 863061994 /nfs/dbraw/zinc/06/19/94/863061994.db2.gz BRYISPOOYVBZQL-MRXNPFEDSA-N 2 1 387.474 3.528 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000482829237 858887755 /nfs/dbraw/zinc/88/77/55/858887755.db2.gz WGGXJEXMMVTWIH-PGRDOPGGSA-N 2 1 398.547 3.755 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C/c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547762 881362069 /nfs/dbraw/zinc/36/20/69/881362069.db2.gz DBCRVOZKHMDDEZ-SGSXCFNPSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547762 881362090 /nfs/dbraw/zinc/36/20/90/881362090.db2.gz DBCRVOZKHMDDEZ-SGSXCFNPSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)ccn1 ZINC000856547762 881362111 /nfs/dbraw/zinc/36/21/11/881362111.db2.gz DBCRVOZKHMDDEZ-SGSXCFNPSA-N 2 1 387.474 3.978 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000922215669 859014898 /nfs/dbraw/zinc/01/48/98/859014898.db2.gz DMUKJJZRKKLXGP-LJQANCHMSA-N 2 1 397.604 3.503 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(Cl)c3)C2)ccn1 ZINC000856552070 881372116 /nfs/dbraw/zinc/37/21/16/881372116.db2.gz GQEKINQYEOLQOB-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(Cl)c3)C2)ccn1 ZINC000856552070 881372132 /nfs/dbraw/zinc/37/21/32/881372132.db2.gz GQEKINQYEOLQOB-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)c(Cl)c3)C2)ccn1 ZINC000856552070 881372142 /nfs/dbraw/zinc/37/21/42/881372142.db2.gz GQEKINQYEOLQOB-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)ccn1 ZINC000856552070 881372160 /nfs/dbraw/zinc/37/21/60/881372160.db2.gz GQEKINQYEOLQOB-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000184988790 859029860 /nfs/dbraw/zinc/02/98/60/859029860.db2.gz WWDRCVHHHYCWDV-RBUKOAKNSA-N 2 1 392.613 3.524 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4ncccc4c3)C2)ccn1 ZINC000856553443 881382453 /nfs/dbraw/zinc/38/24/53/881382453.db2.gz CHXADLSOSDJTBQ-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)ccn1 ZINC000856553443 881382512 /nfs/dbraw/zinc/38/25/12/881382512.db2.gz CHXADLSOSDJTBQ-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)ccn1 ZINC000856553443 881382575 /nfs/dbraw/zinc/38/25/75/881382575.db2.gz CHXADLSOSDJTBQ-QFIPXVFZSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000443644137 859152777 /nfs/dbraw/zinc/15/27/77/859152777.db2.gz DDFQVZICFWCCIA-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000443644137 859152784 /nfs/dbraw/zinc/15/27/84/859152784.db2.gz DDFQVZICFWCCIA-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000443644137 859152791 /nfs/dbraw/zinc/15/27/91/859152791.db2.gz DDFQVZICFWCCIA-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(F)cc3C)C2)[C@@H](C)C1 ZINC000483164782 859199065 /nfs/dbraw/zinc/19/90/65/859199065.db2.gz AXGDJYODYOKEHC-BVSLBCMMSA-N 2 1 391.575 3.830 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc12 ZINC000509444941 859455757 /nfs/dbraw/zinc/45/57/57/859455757.db2.gz XSMCGUYIEJUVFU-OAQYLSRUSA-N 2 1 377.536 3.667 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc12 ZINC000509444941 859455761 /nfs/dbraw/zinc/45/57/61/859455761.db2.gz XSMCGUYIEJUVFU-OAQYLSRUSA-N 2 1 377.536 3.667 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000483627769 859499907 /nfs/dbraw/zinc/49/99/07/859499907.db2.gz WVDLNISJOGPGNN-NJYVYQBISA-N 2 1 378.605 3.547 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560738 881440282 /nfs/dbraw/zinc/44/02/82/881440282.db2.gz QBAGWVSWMMPMGA-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560738 881440287 /nfs/dbraw/zinc/44/02/87/881440287.db2.gz QBAGWVSWMMPMGA-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560738 881440292 /nfs/dbraw/zinc/44/02/92/881440292.db2.gz QBAGWVSWMMPMGA-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543429999 859690254 /nfs/dbraw/zinc/69/02/54/859690254.db2.gz WRRVOAJARZIXAX-ZJOUEHCJSA-N 2 1 396.531 3.800 20 0 GHADMP COc1ccc(Cl)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000483935108 859706693 /nfs/dbraw/zinc/70/66/93/859706693.db2.gz ZOMGYQILGSMFHU-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764969701 859713973 /nfs/dbraw/zinc/71/39/73/859713973.db2.gz AXBXZEUWAPXNDW-HYVLGVRCSA-N 2 1 387.612 3.624 20 0 GHADMP O[C@@H](CN1CCCC1)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000729543841 859722534 /nfs/dbraw/zinc/72/25/34/859722534.db2.gz RZWBAKBTDQFALX-SFHVURJKSA-N 2 1 386.458 3.787 20 0 GHADMP O[C@@H](CN1CCCC1)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000729543841 859722539 /nfs/dbraw/zinc/72/25/39/859722539.db2.gz RZWBAKBTDQFALX-SFHVURJKSA-N 2 1 386.458 3.787 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000895605327 859727757 /nfs/dbraw/zinc/72/77/57/859727757.db2.gz QNNRHVYBNCAEQD-OFNKIYASSA-N 2 1 390.531 3.674 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000895605327 859727767 /nfs/dbraw/zinc/72/77/67/859727767.db2.gz QNNRHVYBNCAEQD-OFNKIYASSA-N 2 1 390.531 3.674 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484143462 859829325 /nfs/dbraw/zinc/82/93/25/859829325.db2.gz YGCWEALXWZDSHL-IIBYNOLFSA-N 2 1 376.447 3.576 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484143462 859829334 /nfs/dbraw/zinc/82/93/34/859829334.db2.gz YGCWEALXWZDSHL-IIBYNOLFSA-N 2 1 376.447 3.576 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000522431296 859850964 /nfs/dbraw/zinc/85/09/64/859850964.db2.gz ZDAZVTRLXFBWEW-QHCPKHFHSA-N 2 1 394.563 3.563 20 0 GHADMP CCCN(C(=O)CCCn1cc[nH+]c1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000727646801 859881459 /nfs/dbraw/zinc/88/14/59/859881459.db2.gz FGGHCFRAXQICDY-JOCHJYFZSA-N 2 1 382.552 3.875 20 0 GHADMP CCCN(C(=O)CCCn1cc[nH+]c1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000727646801 859881469 /nfs/dbraw/zinc/88/14/69/859881469.db2.gz FGGHCFRAXQICDY-JOCHJYFZSA-N 2 1 382.552 3.875 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cnn(-c2ccccc2)c1 ZINC000765327801 859908919 /nfs/dbraw/zinc/90/89/19/859908919.db2.gz XXERSOVSIZITFX-UXHICEINSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cnn(-c2ccccc2)c1 ZINC000765327801 859908924 /nfs/dbraw/zinc/90/89/24/859908924.db2.gz XXERSOVSIZITFX-UXHICEINSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]1CC([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168033715 859982503 /nfs/dbraw/zinc/98/25/03/859982503.db2.gz NIFHXASIJGTCTL-QDNNMPSSSA-N 2 1 385.596 3.661 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474425815 860055165 /nfs/dbraw/zinc/05/51/65/860055165.db2.gz KGXAYFZLXKPTRX-QGZVFWFLSA-N 2 1 386.367 3.663 20 0 GHADMP Clc1cccc2c1C[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001168729567 860293913 /nfs/dbraw/zinc/29/39/13/860293913.db2.gz COJPGZCVVGUALY-GOSISDBHSA-N 2 1 384.955 3.548 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(Br)c3)C2)CC1 ZINC000532224365 881523319 /nfs/dbraw/zinc/52/33/19/881523319.db2.gz MTHRMZFANKOCEI-QFBILLFUSA-N 2 1 380.374 3.610 20 0 GHADMP C[C@@H]1CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168037505 860422297 /nfs/dbraw/zinc/42/22/97/860422297.db2.gz ZAWZANKYFGXVNT-NHCUHLMSSA-N 2 1 399.623 3.909 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000904577450 860506991 /nfs/dbraw/zinc/50/69/91/860506991.db2.gz QCCRBUAXKNOLLA-IBGZPJMESA-N 2 1 380.536 3.567 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000904649681 860544714 /nfs/dbraw/zinc/54/47/14/860544714.db2.gz SALDVDSLCVDUCH-JAXLGGSGSA-N 2 1 378.520 3.568 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040674 860633864 /nfs/dbraw/zinc/63/38/64/860633864.db2.gz OBGXITIAZIPYDI-WOSNLTMFSA-N 2 1 388.502 3.899 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000509050123 860694131 /nfs/dbraw/zinc/69/41/31/860694131.db2.gz KSULELOAXDTMMN-HSALFYBXSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000509050123 860694135 /nfs/dbraw/zinc/69/41/35/860694135.db2.gz KSULELOAXDTMMN-HSALFYBXSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000509050123 860694140 /nfs/dbraw/zinc/69/41/40/860694140.db2.gz KSULELOAXDTMMN-HSALFYBXSA-N 2 1 392.975 3.601 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000603496994 860767517 /nfs/dbraw/zinc/76/75/17/860767517.db2.gz BHVOEYNCHHCGMG-IBGZPJMESA-N 2 1 397.485 3.863 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000603611699 860905382 /nfs/dbraw/zinc/90/53/82/860905382.db2.gz JQHXJLKADYSIER-GHTZIAJQSA-N 2 1 386.584 3.680 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000599321556 861061188 /nfs/dbraw/zinc/06/11/88/861061188.db2.gz IYCDBMFTYRDTRN-YKSBVNFPSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000599321556 861061205 /nfs/dbraw/zinc/06/12/05/861061205.db2.gz IYCDBMFTYRDTRN-YKSBVNFPSA-N 2 1 391.559 3.695 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000182257940 863166632 /nfs/dbraw/zinc/16/66/32/863166632.db2.gz ZWHCXPZZTSYHKU-UPVQGACJSA-N 2 1 392.543 3.745 20 0 GHADMP COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183142787 863484432 /nfs/dbraw/zinc/48/44/32/863484432.db2.gz LYFVKCLJYRUBEC-IRXDYDNUSA-N 2 1 392.503 3.545 20 0 GHADMP COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183142764 863484508 /nfs/dbraw/zinc/48/45/08/863484508.db2.gz LYFVKCLJYRUBEC-SJORKVTESA-N 2 1 392.503 3.545 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(F)cc2)cc1 ZINC000183152363 863488585 /nfs/dbraw/zinc/48/85/85/863488585.db2.gz BXQVDVFNSDAWDD-HZPDHXFCSA-N 2 1 380.467 3.675 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522829830 863495137 /nfs/dbraw/zinc/49/51/37/863495137.db2.gz FHGQRBLNQUXJHN-JOCHJYFZSA-N 2 1 392.547 3.571 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000568201601 863853392 /nfs/dbraw/zinc/85/33/92/863853392.db2.gz UHNARLZGNKCHEZ-TZIWHRDSSA-N 2 1 385.577 3.665 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)[C@@H](C)C1 ZINC000480060633 863929977 /nfs/dbraw/zinc/92/99/77/863929977.db2.gz ATCOKABKFXQAFT-DZFGPLHGSA-N 2 1 381.992 3.669 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103303307 863948942 /nfs/dbraw/zinc/94/89/42/863948942.db2.gz KDCQNMIXYJNQJL-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C(C)C)cc1Cl ZINC000606936217 863972568 /nfs/dbraw/zinc/97/25/68/863972568.db2.gz FUMRIHMKBSKBLS-OALUTQOASA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C(C)C)cc1Cl ZINC000606936217 863972583 /nfs/dbraw/zinc/97/25/83/863972583.db2.gz FUMRIHMKBSKBLS-OALUTQOASA-N 2 1 394.987 3.929 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000120766891 881714439 /nfs/dbraw/zinc/71/44/39/881714439.db2.gz VFGLHSZFLFUZAY-WIYYLYMNSA-N 2 1 390.572 3.601 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](Oc3ncc(F)cn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054801 863984811 /nfs/dbraw/zinc/98/48/11/863984811.db2.gz BIGSYZJWMWVELE-JWWGGVBKSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@H](Oc3ncc(F)cn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054801 863984824 /nfs/dbraw/zinc/98/48/24/863984824.db2.gz BIGSYZJWMWVELE-JWWGGVBKSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054801 863984837 /nfs/dbraw/zinc/98/48/37/863984837.db2.gz BIGSYZJWMWVELE-JWWGGVBKSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054801 863984842 /nfs/dbraw/zinc/98/48/42/863984842.db2.gz BIGSYZJWMWVELE-JWWGGVBKSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000763652073 864073587 /nfs/dbraw/zinc/07/35/87/864073587.db2.gz YBFJLNAKIAGPHW-QGZVFWFLSA-N 2 1 384.520 3.975 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475116206 864242751 /nfs/dbraw/zinc/24/27/51/864242751.db2.gz HVNOINYBDYHQPN-UGKGYDQZSA-N 2 1 398.595 3.918 20 0 GHADMP COc1ccc2cc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2c1 ZINC000607366263 864348831 /nfs/dbraw/zinc/34/88/31/864348831.db2.gz FFWFCNSKQCICAZ-XMMPIXPASA-N 2 1 376.500 3.575 20 0 GHADMP COc1ccc2cc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2c1 ZINC000607366263 864348836 /nfs/dbraw/zinc/34/88/36/864348836.db2.gz FFWFCNSKQCICAZ-XMMPIXPASA-N 2 1 376.500 3.575 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168057301 864388720 /nfs/dbraw/zinc/38/87/20/864388720.db2.gz LQJINPGCNVALCO-CNNODRBYSA-N 2 1 395.547 3.985 20 0 GHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000734849616 864475653 /nfs/dbraw/zinc/47/56/53/864475653.db2.gz CNWWAYYHTRBUDF-GHTZIAJQSA-N 2 1 388.600 3.960 20 0 GHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000532304975 881771898 /nfs/dbraw/zinc/77/18/98/881771898.db2.gz CEJZVDMFHBSEPT-XMMPIXPASA-N 2 1 393.575 3.783 20 0 GHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000532304975 881771905 /nfs/dbraw/zinc/77/19/05/881771905.db2.gz CEJZVDMFHBSEPT-XMMPIXPASA-N 2 1 393.575 3.783 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(O)c3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168059626 864586969 /nfs/dbraw/zinc/58/69/69/864586969.db2.gz ULBMHGOYNGRVEZ-JHDGKUDLSA-N 2 1 379.548 3.956 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(O)c3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059626 864586971 /nfs/dbraw/zinc/58/69/71/864586971.db2.gz ULBMHGOYNGRVEZ-JHDGKUDLSA-N 2 1 379.548 3.956 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000164980082 864644849 /nfs/dbraw/zinc/64/48/49/864644849.db2.gz CXKXYIRWGWDSMD-KEYYUXOJSA-N 2 1 397.386 3.768 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000164980082 864644854 /nfs/dbraw/zinc/64/48/54/864644854.db2.gz CXKXYIRWGWDSMD-KEYYUXOJSA-N 2 1 397.386 3.768 20 0 GHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1ccco1 ZINC000622047716 864730896 /nfs/dbraw/zinc/73/08/96/864730896.db2.gz ZIOZKOAPBSJXIR-QVKFZJNVSA-N 2 1 394.519 3.608 20 0 GHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1ccco1 ZINC000622047716 864730900 /nfs/dbraw/zinc/73/09/00/864730900.db2.gz ZIOZKOAPBSJXIR-QVKFZJNVSA-N 2 1 394.519 3.608 20 0 GHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000667683145 864771941 /nfs/dbraw/zinc/77/19/41/864771941.db2.gz GLRMYDVCZRZXJP-UTKZUKDTSA-N 2 1 384.593 3.576 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000554740811 864816812 /nfs/dbraw/zinc/81/68/12/864816812.db2.gz JJYNRDUQSOXLDH-CQSZACIVSA-N 2 1 383.414 3.771 20 0 GHADMP CCN(C(=O)NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475365913 864873506 /nfs/dbraw/zinc/87/35/06/864873506.db2.gz CKLXQGQUTXMMEV-IDJJCAIYSA-N 2 1 398.595 3.870 20 0 GHADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667723784 865065686 /nfs/dbraw/zinc/06/56/86/865065686.db2.gz GCVLWRFRPPKXHA-VGSWGCGISA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667723784 865065699 /nfs/dbraw/zinc/06/56/99/865065699.db2.gz GCVLWRFRPPKXHA-VGSWGCGISA-N 2 1 395.551 3.613 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000480707934 865123579 /nfs/dbraw/zinc/12/35/79/865123579.db2.gz LBYBUWYXEVTEIG-FQEVSTJZSA-N 2 1 395.385 3.861 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000667734963 865141399 /nfs/dbraw/zinc/14/13/99/865141399.db2.gz CTYQSRXSZCYTIM-PMACEKPBSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000667734963 865141404 /nfs/dbraw/zinc/14/14/04/865141404.db2.gz CTYQSRXSZCYTIM-PMACEKPBSA-N 2 1 388.462 3.769 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000622728452 865153441 /nfs/dbraw/zinc/15/34/41/865153441.db2.gz CBKJZPCLBWWMPO-MSOLQXFVSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000622728452 865153446 /nfs/dbraw/zinc/15/34/46/865153446.db2.gz CBKJZPCLBWWMPO-MSOLQXFVSA-N 2 1 385.474 3.641 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)N[C@@H](C)C[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000480717829 865159608 /nfs/dbraw/zinc/15/96/08/865159608.db2.gz OBQIVUUKYLVBDE-RXVVDRJESA-N 2 1 390.572 3.538 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000480743570 865211385 /nfs/dbraw/zinc/21/13/85/865211385.db2.gz HYBDFBHSDBOVLK-RXVVDRJESA-N 2 1 375.557 3.630 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000480743570 865211399 /nfs/dbraw/zinc/21/13/99/865211399.db2.gz HYBDFBHSDBOVLK-RXVVDRJESA-N 2 1 375.557 3.630 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000480800441 865305941 /nfs/dbraw/zinc/30/59/41/865305941.db2.gz UBHCNPMHEWZVNX-HXUWFJFHSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000480800441 865305957 /nfs/dbraw/zinc/30/59/57/865305957.db2.gz UBHCNPMHEWZVNX-HXUWFJFHSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000480800441 865305973 /nfs/dbraw/zinc/30/59/73/865305973.db2.gz UBHCNPMHEWZVNX-HXUWFJFHSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000480800441 865305990 /nfs/dbraw/zinc/30/59/90/865305990.db2.gz UBHCNPMHEWZVNX-HXUWFJFHSA-N 2 1 387.543 3.515 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCC1 ZINC000480800811 865307837 /nfs/dbraw/zinc/30/78/37/865307837.db2.gz CLGYPKAUKMGGPV-DENIHFKCSA-N 2 1 399.579 3.603 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480801395 865308776 /nfs/dbraw/zinc/30/87/76/865308776.db2.gz PDZUXYSHBMJCEY-JOCHJYFZSA-N 2 1 383.580 3.943 20 0 GHADMP COc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)cc1 ZINC000480824673 865357816 /nfs/dbraw/zinc/35/78/16/865357816.db2.gz PRPPHCUBGWDMEX-NZQKXSOJSA-N 2 1 399.579 3.603 20 0 GHADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480909354 865489189 /nfs/dbraw/zinc/48/91/89/865489189.db2.gz OWBIWQHTKOGSLJ-YADHBBJMSA-N 2 1 387.568 3.652 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000667819490 865831823 /nfs/dbraw/zinc/83/18/23/865831823.db2.gz QDYLUUWEOJWPKW-RBBKRZOGSA-N 2 1 378.520 3.664 20 0 GHADMP CC[NH+](CC)CCC[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000514118732 865931921 /nfs/dbraw/zinc/93/19/21/865931921.db2.gz MSAXTIDPRHHMLZ-UHFFFAOYSA-N 2 1 375.605 3.931 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481177730 865934664 /nfs/dbraw/zinc/93/46/64/865934664.db2.gz UQBNTHZAYFVNHB-ZZHZOUHUSA-N 2 1 395.591 3.572 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481177730 865934675 /nfs/dbraw/zinc/93/46/75/865934675.db2.gz UQBNTHZAYFVNHB-ZZHZOUHUSA-N 2 1 395.591 3.572 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000534020232 865988945 /nfs/dbraw/zinc/98/89/45/865988945.db2.gz MTAPHTJLRARJEH-DHIUTWEWSA-N 2 1 395.547 3.582 20 0 GHADMP c1c(C[NH2+]CCC[NH+]2CCCCC2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000072786087 866034459 /nfs/dbraw/zinc/03/44/59/866034459.db2.gz UXLUPDSQSGBDTG-UHFFFAOYSA-N 2 1 375.520 3.900 20 0 GHADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014410 866037362 /nfs/dbraw/zinc/03/73/62/866037362.db2.gz VAPFSSKGFPXAJY-VXKWHMMOSA-N 2 1 399.623 3.958 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534085644 866105568 /nfs/dbraw/zinc/10/55/68/866105568.db2.gz LMDZSWAIIZQFPG-UXHICEINSA-N 2 1 392.975 3.649 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534085644 866105577 /nfs/dbraw/zinc/10/55/77/866105577.db2.gz LMDZSWAIIZQFPG-UXHICEINSA-N 2 1 392.975 3.649 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494551402 881944068 /nfs/dbraw/zinc/94/40/68/881944068.db2.gz YQRGUHHCLQDMOI-QGZVFWFLSA-N 2 1 380.458 3.772 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494551402 881944074 /nfs/dbraw/zinc/94/40/74/881944074.db2.gz YQRGUHHCLQDMOI-QGZVFWFLSA-N 2 1 380.458 3.772 20 0 GHADMP CN(C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000741219231 866317163 /nfs/dbraw/zinc/31/71/63/866317163.db2.gz IMLUXESSSSLVMP-HXUWFJFHSA-N 2 1 389.927 3.546 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)ccc21 ZINC000456264030 866325331 /nfs/dbraw/zinc/32/53/31/866325331.db2.gz HDSAMQMHLLPEEO-FCHUYYIVSA-N 2 1 381.495 3.978 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)ccc21 ZINC000456264030 866325348 /nfs/dbraw/zinc/32/53/48/866325348.db2.gz HDSAMQMHLLPEEO-FCHUYYIVSA-N 2 1 381.495 3.978 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000456317576 866420690 /nfs/dbraw/zinc/42/06/90/866420690.db2.gz AVWYPYZDGZXHPK-HXUWFJFHSA-N 2 1 388.515 3.775 20 0 GHADMP O=C(CC1CCCCC1)NCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000552911648 866444348 /nfs/dbraw/zinc/44/43/48/866444348.db2.gz JTUWMZHCYVWLBO-UHFFFAOYSA-N 2 1 389.559 3.509 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000857077659 881992173 /nfs/dbraw/zinc/99/21/73/881992173.db2.gz MLGQENDEFHSMMF-ISKFKSNPSA-N 2 1 377.532 3.986 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000552999063 866604624 /nfs/dbraw/zinc/60/46/24/866604624.db2.gz UBRYNAKWYSNHME-KGVIQGDOSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000552999063 866604634 /nfs/dbraw/zinc/60/46/34/866604634.db2.gz UBRYNAKWYSNHME-KGVIQGDOSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000552999058 866604836 /nfs/dbraw/zinc/60/48/36/866604836.db2.gz UBRYNAKWYSNHME-JBYIUTFZSA-N 2 1 394.563 3.548 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000655730803 881993511 /nfs/dbraw/zinc/99/35/11/881993511.db2.gz UCUWNIGRBSFCQZ-UHFFFAOYSA-N 2 1 394.357 3.559 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000428367284 866805024 /nfs/dbraw/zinc/80/50/24/866805024.db2.gz PORNXYNVOCWUNG-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000553169947 866896089 /nfs/dbraw/zinc/89/60/89/866896089.db2.gz JBNZWPVDHQJVFW-ISKFKSNPSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444589464 866910181 /nfs/dbraw/zinc/91/01/81/866910181.db2.gz BAAHYMCTAAESEY-NGRWLJPCSA-N 2 1 392.632 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000444582911 866926593 /nfs/dbraw/zinc/92/65/93/866926593.db2.gz LFXKTLLRWLKQFR-DYESRHJHSA-N 2 1 383.540 3.661 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1(c2ccccc2)CC1 ZINC000444682082 867057444 /nfs/dbraw/zinc/05/74/44/867057444.db2.gz YOTIEVWXYLASBU-UHFFFAOYSA-N 2 1 391.559 3.562 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479071586 867094499 /nfs/dbraw/zinc/09/44/99/867094499.db2.gz SKQNBSVPMJRDNQ-QFBILLFUSA-N 2 1 399.348 3.866 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479081018 867144496 /nfs/dbraw/zinc/14/44/96/867144496.db2.gz PEEMNJNIHJTZHU-CMKODMSKSA-N 2 1 395.613 3.502 20 0 GHADMP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CCC1 ZINC000444774424 867217001 /nfs/dbraw/zinc/21/70/01/867217001.db2.gz WBOHBXICPKZONY-UHFFFAOYSA-N 2 1 375.582 3.684 20 0 GHADMP CC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000620771327 867405689 /nfs/dbraw/zinc/40/56/89/867405689.db2.gz GLMDLNSOEAPACQ-HSZRJFAPSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479464769 867809155 /nfs/dbraw/zinc/80/91/55/867809155.db2.gz MWWWYOGMNHIJNH-ISKFKSNPSA-N 2 1 389.547 3.830 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2OC)cc1)C1CC1 ZINC000523719748 867814937 /nfs/dbraw/zinc/81/49/37/867814937.db2.gz HVMZTTCEMWRZPN-UHFFFAOYSA-N 2 1 381.520 3.993 20 0 GHADMP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534966714 867839641 /nfs/dbraw/zinc/83/96/41/867839641.db2.gz IKZIZTODDMRHCG-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000523849725 868088466 /nfs/dbraw/zinc/08/84/66/868088466.db2.gz CJWXWHFEBJVTCV-CZUORRHYSA-N 2 1 389.462 3.868 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)NCCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000553785939 868226674 /nfs/dbraw/zinc/22/66/74/868226674.db2.gz ILMIOEZZXZERPI-LJQANCHMSA-N 2 1 391.947 3.617 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000553785939 868226693 /nfs/dbraw/zinc/22/66/93/868226693.db2.gz ILMIOEZZXZERPI-LJQANCHMSA-N 2 1 391.947 3.617 20 0 GHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C1 ZINC000479710060 868390685 /nfs/dbraw/zinc/39/06/85/868390685.db2.gz BTCPKTVPNZEYBF-IRLDBZIGSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000479710060 868390703 /nfs/dbraw/zinc/39/07/03/868390703.db2.gz BTCPKTVPNZEYBF-IRLDBZIGSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000479710060 868390721 /nfs/dbraw/zinc/39/07/21/868390721.db2.gz BTCPKTVPNZEYBF-IRLDBZIGSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)C1 ZINC000457668389 868605164 /nfs/dbraw/zinc/60/51/64/868605164.db2.gz WYYYIFMKDQYGFU-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000457668389 868605174 /nfs/dbraw/zinc/60/51/74/868605174.db2.gz WYYYIFMKDQYGFU-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000457668389 868605188 /nfs/dbraw/zinc/60/51/88/868605188.db2.gz WYYYIFMKDQYGFU-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000479994499 868873732 /nfs/dbraw/zinc/87/37/32/868873732.db2.gz WLIGRFZQVJCRHP-UHFFFAOYSA-N 2 1 396.531 3.764 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4cc(Cl)cnc4o3)c2)CCO1 ZINC000648435671 882237810 /nfs/dbraw/zinc/23/78/10/882237810.db2.gz FQKOFSCKHKHRRK-HNNXBMFYSA-N 2 1 385.895 3.992 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4cc(Cl)cnc4o3)c2)CCO1 ZINC000648435671 882237823 /nfs/dbraw/zinc/23/78/23/882237823.db2.gz FQKOFSCKHKHRRK-HNNXBMFYSA-N 2 1 385.895 3.992 20 0 GHADMP CC1CC[NH+](CCCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000158176546 868885311 /nfs/dbraw/zinc/88/53/11/868885311.db2.gz NJYZIEOVXOPDDP-UHFFFAOYSA-N 3 1 375.576 3.934 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000669832409 869359665 /nfs/dbraw/zinc/35/96/65/869359665.db2.gz HYRZDKQHDSZYCM-HSZRJFAPSA-N 2 1 391.559 3.969 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000669832409 869359673 /nfs/dbraw/zinc/35/96/73/869359673.db2.gz HYRZDKQHDSZYCM-HSZRJFAPSA-N 2 1 391.559 3.969 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000539660505 869548478 /nfs/dbraw/zinc/54/84/78/869548478.db2.gz MLSPDJFURXTRIG-PTUXOGIPSA-N 2 1 393.579 3.544 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnc4ccccc34)CC2)CC1 ZINC000539822268 869853146 /nfs/dbraw/zinc/85/31/46/869853146.db2.gz KUZGOBHJXRRFIE-UHFFFAOYSA-N 2 1 380.580 3.863 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnc2ccccc12 ZINC000539822268 869853149 /nfs/dbraw/zinc/85/31/49/869853149.db2.gz KUZGOBHJXRRFIE-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnc2ccccc12 ZINC000539822268 869853159 /nfs/dbraw/zinc/85/31/59/869853159.db2.gz KUZGOBHJXRRFIE-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000539861849 869913773 /nfs/dbraw/zinc/91/37/73/869913773.db2.gz FPCVFYAYVQKFTM-OALUTQOASA-N 2 1 382.552 3.788 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1csc(-c2ccccc2F)n1 ZINC000462801758 870121651 /nfs/dbraw/zinc/12/16/51/870121651.db2.gz JZOORTYSZTYTDO-MRXNPFEDSA-N 2 1 390.572 3.873 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1csc(-c2ccccc2F)n1 ZINC000462808216 870133070 /nfs/dbraw/zinc/13/30/70/870133070.db2.gz OGKZPLOUUPGOCO-HZPDHXFCSA-N 2 1 377.529 3.837 20 0 GHADMP C[C@H](Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462855831 870214113 /nfs/dbraw/zinc/21/41/13/870214113.db2.gz CZMQFZANXVJPBV-NGYIFUPDSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462855831 870214127 /nfs/dbraw/zinc/21/41/27/870214127.db2.gz CZMQFZANXVJPBV-NGYIFUPDSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462855831 870214141 /nfs/dbraw/zinc/21/41/41/870214141.db2.gz CZMQFZANXVJPBV-NGYIFUPDSA-N 2 1 379.548 3.576 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000461468017 870251961 /nfs/dbraw/zinc/25/19/61/870251961.db2.gz FXCLGHHSGPZXDV-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000461468017 870251980 /nfs/dbraw/zinc/25/19/80/870251980.db2.gz FXCLGHHSGPZXDV-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000461468017 870252001 /nfs/dbraw/zinc/25/20/01/870252001.db2.gz FXCLGHHSGPZXDV-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000461468017 870252022 /nfs/dbraw/zinc/25/20/22/870252022.db2.gz FXCLGHHSGPZXDV-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000461472112 870257799 /nfs/dbraw/zinc/25/77/99/870257799.db2.gz KJOPDDYYTXVRSU-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000461472112 870257803 /nfs/dbraw/zinc/25/78/03/870257803.db2.gz KJOPDDYYTXVRSU-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3Br)C2)CC1 ZINC000525267698 870274412 /nfs/dbraw/zinc/27/44/12/870274412.db2.gz MRDSLCVJWICWJI-DLBZAZTESA-N 2 1 380.374 3.610 20 0 GHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000446756394 870303424 /nfs/dbraw/zinc/30/34/24/870303424.db2.gz HWPTUGMSKNJNED-DEOSSOPVSA-N 2 1 382.548 3.850 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)nc(N)c2c1C ZINC000540063340 870343879 /nfs/dbraw/zinc/34/38/79/870343879.db2.gz NZCAGPAWLXQZMB-UHFFFAOYSA-N 2 1 387.597 3.978 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248393218 870363413 /nfs/dbraw/zinc/36/34/13/870363413.db2.gz DPILPQBTDGSPBH-XKCSPQBFSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393218 870363425 /nfs/dbraw/zinc/36/34/25/870363425.db2.gz DPILPQBTDGSPBH-XKCSPQBFSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393218 870363434 /nfs/dbraw/zinc/36/34/34/870363434.db2.gz DPILPQBTDGSPBH-XKCSPQBFSA-N 2 1 383.580 3.810 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(OC)c1 ZINC000248458472 870434254 /nfs/dbraw/zinc/43/42/54/870434254.db2.gz USSGLAWADWVPRQ-XLIONFOSSA-N 2 1 384.520 3.511 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620161 870546642 /nfs/dbraw/zinc/54/66/42/870546642.db2.gz ZZAGMIKGRYBFEF-WDYCEAGBSA-N 2 1 384.486 3.851 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248655507 870579912 /nfs/dbraw/zinc/57/99/12/870579912.db2.gz BNXWPLMRIDQWQY-FCHUYYIVSA-N 2 1 388.939 3.774 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248655507 870579916 /nfs/dbraw/zinc/57/99/16/870579916.db2.gz BNXWPLMRIDQWQY-FCHUYYIVSA-N 2 1 388.939 3.774 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)[C@H](C)C1 ZINC000462959654 870581184 /nfs/dbraw/zinc/58/11/84/870581184.db2.gz VJXLBBFMVULBTF-VKJFTORMSA-N 2 1 399.373 3.591 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)[C@H](C)C1 ZINC000462959654 870581194 /nfs/dbraw/zinc/58/11/94/870581194.db2.gz VJXLBBFMVULBTF-VKJFTORMSA-N 2 1 399.373 3.591 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cnn1C(C)C ZINC000248681484 870589965 /nfs/dbraw/zinc/58/99/65/870589965.db2.gz DDUKJAYGLHQISX-XXBNENTESA-N 2 1 383.584 3.802 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCc2ccc4c(c2)OCCO4)C3)cc1 ZINC000248752633 870621582 /nfs/dbraw/zinc/62/15/82/870621582.db2.gz CEUGMXGQNYJIMG-KOUNCHBCSA-N 2 1 378.516 3.786 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)c1 ZINC000525432886 870669792 /nfs/dbraw/zinc/66/97/92/870669792.db2.gz OXZTXGGVZZOBSX-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000525432886 870669802 /nfs/dbraw/zinc/66/98/02/870669802.db2.gz OXZTXGGVZZOBSX-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000525432886 870669805 /nfs/dbraw/zinc/66/98/05/870669805.db2.gz OXZTXGGVZZOBSX-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CC1 ZINC001168782609 870678169 /nfs/dbraw/zinc/67/81/69/870678169.db2.gz SJCMILVGYLLSOW-UHFFFAOYSA-N 2 1 399.579 3.880 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1)CC(C)C ZINC000540198341 870709262 /nfs/dbraw/zinc/70/92/62/870709262.db2.gz YVSJZUASJWORAC-IBGZPJMESA-N 2 1 391.604 3.871 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1)CC(C)C ZINC000540198341 870709265 /nfs/dbraw/zinc/70/92/65/870709265.db2.gz YVSJZUASJWORAC-IBGZPJMESA-N 2 1 391.604 3.871 20 0 GHADMP C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000461698071 870752799 /nfs/dbraw/zinc/75/27/99/870752799.db2.gz KDZRHJXVKFWFOA-OXQOHEQNSA-N 2 1 399.501 3.534 20 0 GHADMP FC(F)(F)CN1CCC(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000249214534 870789267 /nfs/dbraw/zinc/78/92/67/870789267.db2.gz ZLTXEEBGVFJPKY-NJDAHSKKSA-N 2 1 395.513 3.761 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000249402312 870822521 /nfs/dbraw/zinc/82/25/21/870822521.db2.gz CJGSNHRKWCYREQ-LNLFQRSKSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000249402312 870822539 /nfs/dbraw/zinc/82/25/39/870822539.db2.gz CJGSNHRKWCYREQ-LNLFQRSKSA-N 2 1 395.975 3.702 20 0 GHADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540244672 870845071 /nfs/dbraw/zinc/84/50/71/870845071.db2.gz FBZIZMVQEZDZKT-JBYIUTFZSA-N 2 1 378.532 3.867 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)CN1C(=O)OC(C)(C)C ZINC001168833808 870890591 /nfs/dbraw/zinc/89/05/91/870890591.db2.gz LAFRECHNMSGVCB-SJLPKXTDSA-N 2 1 391.531 3.559 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130682 870950009 /nfs/dbraw/zinc/95/00/09/870950009.db2.gz HILLOFZQFOLRDU-OFNKIYASSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130682 870950025 /nfs/dbraw/zinc/95/00/25/870950025.db2.gz HILLOFZQFOLRDU-OFNKIYASSA-N 3 1 381.564 3.770 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1)CC1CC1 ZINC000538947578 870956406 /nfs/dbraw/zinc/95/64/06/870956406.db2.gz ABHIIOHOPUONMS-SFHVURJKSA-N 2 1 389.559 3.837 20 0 GHADMP COc1cccc(N2CCC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000463122890 870964393 /nfs/dbraw/zinc/96/43/93/870964393.db2.gz HCFRZLVSAZGHRS-QHCPKHFHSA-N 2 1 393.575 3.961 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000463147179 870975715 /nfs/dbraw/zinc/97/57/15/870975715.db2.gz ACXYLQCLPLYINE-HXUWFJFHSA-N 2 1 397.611 3.615 20 0 GHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463156136 871035285 /nfs/dbraw/zinc/03/52/85/871035285.db2.gz RAZWXEAMGXXSFA-CYBMUJFWSA-N 2 1 389.297 3.779 20 0 GHADMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463156136 871035307 /nfs/dbraw/zinc/03/53/07/871035307.db2.gz RAZWXEAMGXXSFA-CYBMUJFWSA-N 2 1 389.297 3.779 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463207783 871139444 /nfs/dbraw/zinc/13/94/44/871139444.db2.gz UPQTYYBKEUYDEK-AUSIDOKSSA-N 2 1 397.538 3.805 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463207783 871139455 /nfs/dbraw/zinc/13/94/55/871139455.db2.gz UPQTYYBKEUYDEK-AUSIDOKSSA-N 2 1 397.538 3.805 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000463200599 871169431 /nfs/dbraw/zinc/16/94/31/871169431.db2.gz BZHPWZHVLDUNAS-OLKYXYMISA-N 2 1 386.580 3.683 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](Cc3ccccc3)CC(C)C)CC2)C1 ZINC001169086288 871192597 /nfs/dbraw/zinc/19/25/97/871192597.db2.gz TXLJSFBHDSKERB-FYYLOGMGSA-N 2 1 386.580 3.993 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3cccc(C(F)(F)F)c3)CCOCC1)C2 ZINC001169117181 871206781 /nfs/dbraw/zinc/20/67/81/871206781.db2.gz XMENAPHMCLAWPJ-LDLYASANSA-N 2 1 382.470 3.968 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130882 871223578 /nfs/dbraw/zinc/22/35/78/871223578.db2.gz PHZBHOWTKVCPCJ-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130882 871223594 /nfs/dbraw/zinc/22/35/94/871223594.db2.gz PHZBHOWTKVCPCJ-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130882 871223611 /nfs/dbraw/zinc/22/36/11/871223611.db2.gz PHZBHOWTKVCPCJ-MDPIYQRISA-N 2 1 377.573 3.725 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN([C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)CC2)c1 ZINC001169135539 871225769 /nfs/dbraw/zinc/22/57/69/871225769.db2.gz ZEQZWYODJKFAQR-JKHIJQBDSA-N 2 1 397.607 3.998 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3cc(Br)ccc3C2)C[C@H](C)O1 ZINC000539072834 871259958 /nfs/dbraw/zinc/25/99/58/871259958.db2.gz VBAPBLUJMUGQSE-YRNRMSPPSA-N 2 1 395.385 3.785 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000252441527 871298166 /nfs/dbraw/zinc/29/81/66/871298166.db2.gz NHHPKZCDDBDAQK-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000463281081 871322953 /nfs/dbraw/zinc/32/29/53/871322953.db2.gz JRQMXXDGWIGOHG-MKSZZOGSSA-N 2 1 383.580 3.855 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000252591430 871333175 /nfs/dbraw/zinc/33/31/75/871333175.db2.gz BGQGRJSFBFHZFU-RBUKOAKNSA-N 2 1 389.588 3.768 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000252591430 871333197 /nfs/dbraw/zinc/33/31/97/871333197.db2.gz BGQGRJSFBFHZFU-RBUKOAKNSA-N 2 1 389.588 3.768 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000252591430 871333217 /nfs/dbraw/zinc/33/32/17/871333217.db2.gz BGQGRJSFBFHZFU-RBUKOAKNSA-N 2 1 389.588 3.768 20 0 GHADMP COC(=O)CCC[NH+]1CCC(Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000463302627 871373452 /nfs/dbraw/zinc/37/34/52/871373452.db2.gz PHZOPYYJRKSNKW-IBGZPJMESA-N 2 1 387.568 3.891 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539147528 871376564 /nfs/dbraw/zinc/37/65/64/871376564.db2.gz KBZGJJYNTIMKKG-BGYRXZFFSA-N 2 1 390.568 3.564 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539147528 871376584 /nfs/dbraw/zinc/37/65/84/871376584.db2.gz KBZGJJYNTIMKKG-BGYRXZFFSA-N 2 1 390.568 3.564 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539147532 871376903 /nfs/dbraw/zinc/37/69/03/871376903.db2.gz KBZGJJYNTIMKKG-PMACEKPBSA-N 2 1 390.568 3.564 20 0 GHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001169366651 871431574 /nfs/dbraw/zinc/43/15/74/871431574.db2.gz MIILPSVTKRXUMR-SWUCNREESA-N 2 1 385.596 3.960 20 0 GHADMP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169409999 871455180 /nfs/dbraw/zinc/45/51/80/871455180.db2.gz TZZPNJHZRJMNDE-KMDXXIMOSA-N 2 1 382.548 3.686 20 0 GHADMP CCC[N@@H+](Cc1cc(Br)c(Br)o1)C[C@@H]1CC[NH2+]C1 ZINC001236836501 871456090 /nfs/dbraw/zinc/45/60/90/871456090.db2.gz WKLLXDPXTVEDTN-SNVBAGLBSA-N 2 1 380.124 3.626 20 0 GHADMP CCC[N@H+](Cc1cc(Br)c(Br)o1)C[C@@H]1CC[NH2+]C1 ZINC001236836501 871456096 /nfs/dbraw/zinc/45/60/96/871456096.db2.gz WKLLXDPXTVEDTN-SNVBAGLBSA-N 2 1 380.124 3.626 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000618352668 871514587 /nfs/dbraw/zinc/51/45/87/871514587.db2.gz TWFOMYZSAHBDCM-XMMPIXPASA-N 2 1 391.559 3.671 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000618355985 871519959 /nfs/dbraw/zinc/51/99/59/871519959.db2.gz GLAJLXHGIRCKCH-XMMPIXPASA-N 2 1 391.559 3.671 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001194222301 871565767 /nfs/dbraw/zinc/56/57/67/871565767.db2.gz QYAJOCGQLAWNAZ-HYBUGGRVSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC=C(c2ccccc2)C1 ZINC001194222301 871565778 /nfs/dbraw/zinc/56/57/78/871565778.db2.gz QYAJOCGQLAWNAZ-HYBUGGRVSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC=C(c2ccccc2)C1 ZINC001194222301 871565787 /nfs/dbraw/zinc/56/57/87/871565787.db2.gz QYAJOCGQLAWNAZ-HYBUGGRVSA-N 2 1 389.543 3.555 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC=C(c2ccccc2)C1 ZINC001194222301 871565798 /nfs/dbraw/zinc/56/57/98/871565798.db2.gz QYAJOCGQLAWNAZ-HYBUGGRVSA-N 2 1 389.543 3.555 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001194359021 871635906 /nfs/dbraw/zinc/63/59/06/871635906.db2.gz RPKKEZVQKILMMB-MOPGFXCFSA-N 2 1 379.589 3.828 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164620 871722630 /nfs/dbraw/zinc/72/26/30/871722630.db2.gz NTNNQOZGEVKHJU-YADARESESA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164620 871722638 /nfs/dbraw/zinc/72/26/38/871722638.db2.gz NTNNQOZGEVKHJU-YADARESESA-N 2 1 391.559 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1)C1CC1 ZINC000462164620 871722651 /nfs/dbraw/zinc/72/26/51/871722651.db2.gz NTNNQOZGEVKHJU-YADARESESA-N 2 1 391.559 3.921 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000253190991 871746140 /nfs/dbraw/zinc/74/61/40/871746140.db2.gz UBRVIJICKFDPRR-GOTSBHOMSA-N 2 1 391.559 3.850 20 0 GHADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821201 871848783 /nfs/dbraw/zinc/84/87/83/871848783.db2.gz GZEUQVYMVSFAOE-CTNGQTDRSA-N 2 1 386.584 3.800 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@@H]2CCC[C@H]21 ZINC000552046260 871931167 /nfs/dbraw/zinc/93/11/67/871931167.db2.gz BGXLDXOYJNECMI-RJGXRXQPSA-N 2 1 387.531 3.897 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)[C@H]2CCC[C@@H]21 ZINC000552046262 871931924 /nfs/dbraw/zinc/93/19/24/871931924.db2.gz BGXLDXOYJNECMI-VJBWXMMDSA-N 2 1 387.531 3.897 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552062929 871960970 /nfs/dbraw/zinc/96/09/70/871960970.db2.gz KCKVRKXKVYYWIP-VNQPRFMTSA-N 2 1 391.865 3.985 20 0 GHADMP CCC[N@H+](Cc1cnc2ccc(C)cn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417609 872166660 /nfs/dbraw/zinc/16/66/60/872166660.db2.gz QCUGTNBGAMSVTE-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP CCC[N@@H+](Cc1cnc2ccc(C)cn12)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417609 872166678 /nfs/dbraw/zinc/16/66/78/872166678.db2.gz QCUGTNBGAMSVTE-UHFFFAOYSA-N 2 1 392.551 3.931 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000093597305 872285815 /nfs/dbraw/zinc/28/58/15/872285815.db2.gz WKWPBLNKPZPJAZ-HXUWFJFHSA-N 2 1 393.531 3.865 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000093597305 872285823 /nfs/dbraw/zinc/28/58/23/872285823.db2.gz WKWPBLNKPZPJAZ-HXUWFJFHSA-N 2 1 393.531 3.865 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000552243540 872299018 /nfs/dbraw/zinc/29/90/18/872299018.db2.gz BGBBQEGMFCSPKM-AEGPPILISA-N 2 1 376.854 3.628 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000527087383 872588029 /nfs/dbraw/zinc/58/80/29/872588029.db2.gz OJJLUEZLDJJMFO-PMACEKPBSA-N 2 1 386.584 3.909 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)cc1)C1CC1 ZINC000552458097 872662394 /nfs/dbraw/zinc/66/23/94/872662394.db2.gz RXCHKHDWXYRRMD-DEOSSOPVSA-N 2 1 391.559 3.670 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@@H](Cc3ccccc3)C2)cc1)C1CC1 ZINC000552458097 872662408 /nfs/dbraw/zinc/66/24/08/872662408.db2.gz RXCHKHDWXYRRMD-DEOSSOPVSA-N 2 1 391.559 3.670 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1)C1CC1 ZINC000552458097 872662425 /nfs/dbraw/zinc/66/24/25/872662425.db2.gz RXCHKHDWXYRRMD-DEOSSOPVSA-N 2 1 391.559 3.670 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1)C1CC1 ZINC000552458097 872662431 /nfs/dbraw/zinc/66/24/31/872662431.db2.gz RXCHKHDWXYRRMD-DEOSSOPVSA-N 2 1 391.559 3.670 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163108146 872819570 /nfs/dbraw/zinc/81/95/70/872819570.db2.gz PPZJACSLKHHSAF-PBHICJAKSA-N 2 1 389.371 3.527 20 0 GHADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)C(C)(C)C ZINC000463900145 872820562 /nfs/dbraw/zinc/82/05/62/872820562.db2.gz ZWZMEWKUGIKOCN-ZWKOTPCHSA-N 2 1 397.510 3.739 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccnn1-c1ccccc1 ZINC000467378159 882685587 /nfs/dbraw/zinc/68/55/87/882685587.db2.gz QUUBKBOALUNBIR-VQTJNVASSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccnn1-c1ccccc1 ZINC000467378159 882685600 /nfs/dbraw/zinc/68/56/00/882685600.db2.gz QUUBKBOALUNBIR-VQTJNVASSA-N 2 1 390.531 3.944 20 0 GHADMP c1ccc(CC[NH+]2CCC(NCCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122770744 882702532 /nfs/dbraw/zinc/70/25/32/882702532.db2.gz XWZMBLFZWATULB-UHFFFAOYSA-N 2 1 377.576 3.732 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O)C1CCCCC1 ZINC000541306109 873328287 /nfs/dbraw/zinc/32/82/87/873328287.db2.gz CJZSKZNBFIFRRB-QHCPKHFHSA-N 2 1 397.538 3.776 20 0 GHADMP Fc1cc(Br)cnc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000527631326 873380709 /nfs/dbraw/zinc/38/07/09/873380709.db2.gz GYGMAQLJPUOJIB-UHFFFAOYSA-N 2 1 378.289 3.869 20 0 GHADMP Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)nc1 ZINC000858012304 882717249 /nfs/dbraw/zinc/71/72/49/882717249.db2.gz ZGJHZRSLJTWQGV-QFIPXVFZSA-N 2 1 381.520 3.518 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527758737 873532139 /nfs/dbraw/zinc/53/21/39/873532139.db2.gz PKMRMBWMYGQNAE-XMSQKQJNSA-N 2 1 384.568 3.528 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(-c4ccccc4)n(C)n3)CC2)nc(C)[nH+]1 ZINC000527863225 873687327 /nfs/dbraw/zinc/68/73/27/873687327.db2.gz CUGOJWDOUPJZQE-KRWDZBQOSA-N 2 1 390.535 3.814 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000769191553 873844410 /nfs/dbraw/zinc/84/44/10/873844410.db2.gz FKGRDZYXDPDFCB-SZPZYZBQSA-N 2 1 384.612 3.667 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2N2CCCCC2)CC1 ZINC000769191553 873844423 /nfs/dbraw/zinc/84/44/23/873844423.db2.gz FKGRDZYXDPDFCB-SZPZYZBQSA-N 2 1 384.612 3.667 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000541582090 873870542 /nfs/dbraw/zinc/87/05/42/873870542.db2.gz KCUFBTZILIOVOD-VGOFRKELSA-N 2 1 383.561 3.694 20 0 GHADMP CC1([NH+]2CCCCC2)CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC001197582305 873924569 /nfs/dbraw/zinc/92/45/69/873924569.db2.gz LUUKJIJLEUYYHL-UHFFFAOYSA-N 2 1 377.960 3.687 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000769513504 874120997 /nfs/dbraw/zinc/12/09/97/874120997.db2.gz AXDWVJAXOVPMQN-GOSISDBHSA-N 2 1 393.963 3.598 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000769513504 874121003 /nfs/dbraw/zinc/12/10/03/874121003.db2.gz AXDWVJAXOVPMQN-GOSISDBHSA-N 2 1 393.963 3.598 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)C[C@@H](C)O1 ZINC000177491987 882806014 /nfs/dbraw/zinc/80/60/14/882806014.db2.gz VLZLWSBKOSCDPK-HZPDHXFCSA-N 2 1 390.553 3.509 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(-c3ccccc3F)s2)C[C@H](C)O1 ZINC000449100614 874472512 /nfs/dbraw/zinc/47/25/12/874472512.db2.gz CIUSIERKQBGLNT-IYBDPMFKSA-N 2 1 377.529 3.928 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000449101456 874472733 /nfs/dbraw/zinc/47/27/33/874472733.db2.gz FEPXXAXWSZDUMI-IBGZPJMESA-N 2 1 391.559 3.764 20 0 GHADMP C[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000508878259 874598056 /nfs/dbraw/zinc/59/80/56/874598056.db2.gz JVPUMDRBPOANCR-OFVILXPXSA-N 2 1 377.576 3.776 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000449339184 874757865 /nfs/dbraw/zinc/75/78/65/874757865.db2.gz XHUHUXLAPREGHX-LJQANCHMSA-N 2 1 389.543 3.724 20 0 GHADMP COc1ncc(Br)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001199045270 874774082 /nfs/dbraw/zinc/77/40/82/874774082.db2.gz ARQIQMKKKJFWFE-UHFFFAOYSA-N 2 1 390.325 3.738 20 0 GHADMP C[NH+]1CCN(CCCC[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001199237979 874867982 /nfs/dbraw/zinc/86/79/82/874867982.db2.gz KJRVKSYBFLTGBC-UHFFFAOYSA-N 2 1 378.973 3.581 20 0 GHADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001199353275 874919043 /nfs/dbraw/zinc/91/90/43/874919043.db2.gz LWSMNLGBVAKLMY-FQEVSTJZSA-N 2 1 378.520 3.743 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](Cc3cc4cc(C)c(C)cc4o3)C2)CC1 ZINC000449507848 874970111 /nfs/dbraw/zinc/97/01/11/874970111.db2.gz UKVFUDKIMGFRPH-NRFANRHFSA-N 2 1 397.563 3.816 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000303104790 875018427 /nfs/dbraw/zinc/01/84/27/875018427.db2.gz JFGKHCZNLMVNGD-LJQANCHMSA-N 2 1 394.563 3.600 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000449615299 875155603 /nfs/dbraw/zinc/15/56/03/875155603.db2.gz KVTGMCDZVFVWMV-KVZQYWQLSA-N 2 1 377.532 3.802 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCO[C@@H](c5ccccn5)C4)[C@H]3C2)cc1 ZINC000449615297 875155760 /nfs/dbraw/zinc/15/57/60/875155760.db2.gz KVTGMCDZVFVWMV-BTPPTMBQSA-N 2 1 377.532 3.802 20 0 GHADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000449657074 875191094 /nfs/dbraw/zinc/19/10/94/875191094.db2.gz NNNNODCJAJPVSK-ZRBLBEILSA-N 2 1 396.579 3.677 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000542233487 875193079 /nfs/dbraw/zinc/19/30/79/875193079.db2.gz OBOABHLZPKXIQH-XZOQPEGZSA-N 2 1 379.548 3.921 20 0 GHADMP CC[N@@H+](CCC1CCN([C@H](C)C(=O)Nc2cccnc2Cl)CC1)CC1CC1 ZINC000771475222 875277691 /nfs/dbraw/zinc/27/76/91/875277691.db2.gz GYKDCJVGNGLXHW-MRXNPFEDSA-N 2 1 392.975 3.896 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000303235437 875322909 /nfs/dbraw/zinc/32/29/09/875322909.db2.gz WZXKLAJCMVREIO-NHCUHLMSSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC001200978161 875424469 /nfs/dbraw/zinc/42/44/69/875424469.db2.gz CSZCYXHVEXWFEV-CYGODWOOSA-N 2 1 393.510 3.653 20 0 GHADMP C[C@H](c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1)N1CCOCC1 ZINC000449846238 875509676 /nfs/dbraw/zinc/50/96/76/875509676.db2.gz WTVWLSAGCMBKRM-GCJKJVERSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000106484756 876071006 /nfs/dbraw/zinc/07/10/06/876071006.db2.gz CWOHWOGVTAOACP-CQSZACIVSA-N 2 1 382.335 3.979 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)s1 ZINC000858286381 883002397 /nfs/dbraw/zinc/00/23/97/883002397.db2.gz AHGBVJDNKKRCRA-INIZCTEOSA-N 2 1 387.380 3.904 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173410765 876371482 /nfs/dbraw/zinc/37/14/82/876371482.db2.gz JUTFZMCRPQVGQN-QFIPXVFZSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cccc2C1 ZINC000850034651 876619166 /nfs/dbraw/zinc/61/91/66/876619166.db2.gz KGKUWAIYPUXNQE-UXHICEINSA-N 2 1 385.552 3.696 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192934318 883049923 /nfs/dbraw/zinc/04/99/23/883049923.db2.gz NDGJKGVVEWNVJO-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP C[C@H](c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1)C(F)(F)F ZINC000450644681 876702495 /nfs/dbraw/zinc/70/24/95/876702495.db2.gz BVEZCSHILAQIOQ-DLBZAZTESA-N 2 1 383.502 3.953 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000537662153 883059524 /nfs/dbraw/zinc/05/95/24/883059524.db2.gz XJDSQFOBDIHXJU-HDICACEKSA-N 2 1 390.616 3.966 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174148497 876860307 /nfs/dbraw/zinc/86/03/07/876860307.db2.gz IBJIWDZCYHKNQD-LEWJYISDSA-N 2 1 398.595 3.688 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCC[NH+](C(C)C)C(C)C)cc1F ZINC000174204388 876897215 /nfs/dbraw/zinc/89/72/15/876897215.db2.gz AXMZXXNQCQWFDC-UHFFFAOYSA-N 2 1 389.519 3.628 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cc2ccccc2o1 ZINC000134911634 883104239 /nfs/dbraw/zinc/10/42/39/883104239.db2.gz ZJMNYFKVDMZBHY-MHYXUVESSA-N 2 1 395.547 3.947 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000477220780 877249795 /nfs/dbraw/zinc/24/97/95/877249795.db2.gz JTAHCOAMHWIINC-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000477240805 877274424 /nfs/dbraw/zinc/27/44/24/877274424.db2.gz ACKGFBVQYGIOTD-CTNGQTDRSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000477240805 877274433 /nfs/dbraw/zinc/27/44/33/877274433.db2.gz ACKGFBVQYGIOTD-CTNGQTDRSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000477240805 877274455 /nfs/dbraw/zinc/27/44/55/877274455.db2.gz ACKGFBVQYGIOTD-CTNGQTDRSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000477240805 877274471 /nfs/dbraw/zinc/27/44/71/877274471.db2.gz ACKGFBVQYGIOTD-CTNGQTDRSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCc1ccccc1 ZINC000615314828 877630239 /nfs/dbraw/zinc/63/02/39/877630239.db2.gz GWAUTDIBBAXNJA-WOJBJXKFSA-N 2 1 379.548 3.856 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000175398679 877682297 /nfs/dbraw/zinc/68/22/97/877682297.db2.gz NQBFRYCFAPOHPF-IBGZPJMESA-N 2 1 397.567 3.703 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000175398679 877682301 /nfs/dbraw/zinc/68/23/01/877682301.db2.gz NQBFRYCFAPOHPF-IBGZPJMESA-N 2 1 397.567 3.703 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000175429390 877697476 /nfs/dbraw/zinc/69/74/76/877697476.db2.gz SEVXVKOFGGDFHR-IAGOWNOFSA-N 2 1 379.976 3.753 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1[C@H](C)CC[C@H]1C ZINC000175683351 877845056 /nfs/dbraw/zinc/84/50/56/877845056.db2.gz KTGLKSGJUFAMMY-QRVBRYPASA-N 2 1 383.536 3.789 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1[C@H](C)CC[C@H]1C ZINC000175683351 877845070 /nfs/dbraw/zinc/84/50/70/877845070.db2.gz KTGLKSGJUFAMMY-QRVBRYPASA-N 2 1 383.536 3.789 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245422191 877851083 /nfs/dbraw/zinc/85/10/83/877851083.db2.gz INIABKTWSAEKNP-REHUZNOOSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245422191 877851094 /nfs/dbraw/zinc/85/10/94/877851094.db2.gz INIABKTWSAEKNP-REHUZNOOSA-N 2 1 391.559 3.849 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000851803630 877916294 /nfs/dbraw/zinc/91/62/94/877916294.db2.gz UFKPIVXJYKURCL-RLLQIKCJSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000851803630 877916300 /nfs/dbraw/zinc/91/63/00/877916300.db2.gz UFKPIVXJYKURCL-RLLQIKCJSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000851803630 877916303 /nfs/dbraw/zinc/91/63/03/877916303.db2.gz UFKPIVXJYKURCL-RLLQIKCJSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000851803630 877916308 /nfs/dbraw/zinc/91/63/08/877916308.db2.gz UFKPIVXJYKURCL-RLLQIKCJSA-N 2 1 398.484 3.556 20 0 GHADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000245543156 878079874 /nfs/dbraw/zinc/07/98/74/878079874.db2.gz SESQYASLSZBVAQ-ZCNNSNEGSA-N 2 1 386.584 3.513 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000455906952 878175183 /nfs/dbraw/zinc/17/51/83/878175183.db2.gz HSVRRIHYMUCPBE-VGOFRKELSA-N 2 1 380.536 3.878 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C[C@H](C)O1 ZINC000788645267 878204979 /nfs/dbraw/zinc/20/49/79/878204979.db2.gz OJQGBYXXLUWPQA-VNTMZGSJSA-N 2 1 397.604 3.501 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852295266 878206287 /nfs/dbraw/zinc/20/62/87/878206287.db2.gz VREAWUKSRMMYAT-IBGZPJMESA-N 2 1 390.572 3.712 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1)CC1CC1 ZINC000537755012 878247538 /nfs/dbraw/zinc/24/75/38/878247538.db2.gz GKSHVWOFROJRDC-UHFFFAOYSA-N 2 1 385.596 3.857 20 0 GHADMP CC[N@@H+](CCC1CCN(CC(=O)Nc2cc(F)cc(F)c2)CC1)CC1CC1 ZINC000537849499 878390162 /nfs/dbraw/zinc/39/01/62/878390162.db2.gz JUBPRPTVYJSDMN-UHFFFAOYSA-N 2 1 379.495 3.737 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1)CC1CC1 ZINC000537849499 878390180 /nfs/dbraw/zinc/39/01/80/878390180.db2.gz JUBPRPTVYJSDMN-UHFFFAOYSA-N 2 1 379.495 3.737 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1)CC1CC1 ZINC000537849499 878390200 /nfs/dbraw/zinc/39/02/00/878390200.db2.gz JUBPRPTVYJSDMN-UHFFFAOYSA-N 2 1 379.495 3.737 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000537943530 878559460 /nfs/dbraw/zinc/55/94/60/878559460.db2.gz QOFAETZXIMYCKE-FVJLSDCUSA-N 2 1 397.966 3.784 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1SC(F)F ZINC000852754617 878581563 /nfs/dbraw/zinc/58/15/63/878581563.db2.gz YDRODPXNWLNJIH-OAHLLOKOSA-N 2 1 383.508 3.651 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1)CC(C)C ZINC000538077541 878778039 /nfs/dbraw/zinc/77/80/39/878778039.db2.gz ZBHYMHKTZQXWTN-UHFFFAOYSA-N 2 1 394.648 3.896 20 0 GHADMP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000248752461 912388076 /nfs/dbraw/zinc/38/80/76/912388076.db2.gz CCJQMKBDXNQCPE-AGOPTVSRSA-N 2 1 385.552 3.639 20 0 GHADMP COCC[N@H+](Cc1cc(Br)c(Cl)s1)CC1CC[NH+](C)CC1 ZINC001183256810 912388319 /nfs/dbraw/zinc/38/83/19/912388319.db2.gz RKDAKKPTKGIKDJ-UHFFFAOYSA-N 2 1 395.794 3.954 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc2)C1 ZINC000245994919 878833368 /nfs/dbraw/zinc/83/33/68/878833368.db2.gz RDKJOJFKPFRFFP-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc2)C1 ZINC000245994919 878833377 /nfs/dbraw/zinc/83/33/77/878833377.db2.gz RDKJOJFKPFRFFP-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc2)C1 ZINC000245994919 878833389 /nfs/dbraw/zinc/83/33/89/878833389.db2.gz RDKJOJFKPFRFFP-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP Fc1cc(Br)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000177843728 878883229 /nfs/dbraw/zinc/88/32/29/878883229.db2.gz WYIFBXIFYVQZAE-UHFFFAOYSA-N 2 1 385.321 3.665 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000122410607 878894867 /nfs/dbraw/zinc/89/48/67/878894867.db2.gz OZQLWLRTOJJOHO-OXJNMPFZSA-N 2 1 378.944 3.953 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000152499786 879215279 /nfs/dbraw/zinc/21/52/79/879215279.db2.gz OSERGUJYCINABO-UGKGYDQZSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000152499786 879215295 /nfs/dbraw/zinc/21/52/95/879215295.db2.gz OSERGUJYCINABO-UGKGYDQZSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000789770414 879250946 /nfs/dbraw/zinc/25/09/46/879250946.db2.gz XDBAZWHZXBRNIL-SFHVURJKSA-N 2 1 397.519 3.777 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000246274722 879326520 /nfs/dbraw/zinc/32/65/20/879326520.db2.gz JIRSPNDAULVPJY-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000246316495 879377891 /nfs/dbraw/zinc/37/78/91/879377891.db2.gz AETYVICAOVOAEV-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000246316495 879377910 /nfs/dbraw/zinc/37/79/10/879377910.db2.gz AETYVICAOVOAEV-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000246316495 879377927 /nfs/dbraw/zinc/37/79/27/879377927.db2.gz AETYVICAOVOAEV-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246487760 879610821 /nfs/dbraw/zinc/61/08/21/879610821.db2.gz GYYHSRTXWQWIQQ-PWIZWCRZSA-N 2 1 387.593 3.533 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000493734961 879625044 /nfs/dbraw/zinc/62/50/44/879625044.db2.gz JDPASKVUWYISGN-NRFANRHFSA-N 2 1 398.551 3.589 20 0 GHADMP CC(C)c1ccc(C[C@@H]2CC[N@H+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C2)cc1 ZINC000790382986 879652776 /nfs/dbraw/zinc/65/27/76/879652776.db2.gz HRYKKJRPZNJBBY-GBXCKJPGSA-N 2 1 397.563 3.549 20 0 GHADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C2)cc1 ZINC000790382986 879652788 /nfs/dbraw/zinc/65/27/88/879652788.db2.gz HRYKKJRPZNJBBY-GBXCKJPGSA-N 2 1 397.563 3.549 20 0 GHADMP COC(=O)c1cc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)oc1C ZINC000531342776 879660559 /nfs/dbraw/zinc/66/05/59/879660559.db2.gz ABVSYKZEFGSCCQ-HSZRJFAPSA-N 2 1 382.504 3.863 20 0 GHADMP CC(C)([NH2+]CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)c1ccc(Cl)c(Cl)c1 ZINC000790372060 879675112 /nfs/dbraw/zinc/67/51/12/879675112.db2.gz RTTKSSQUNFPYIN-LJQANCHMSA-N 2 1 398.334 3.692 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CC2 ZINC000493916097 879717065 /nfs/dbraw/zinc/71/70/65/879717065.db2.gz GUAZPUCMXMWXIY-IBGZPJMESA-N 2 1 394.401 3.608 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCCCC1 ZINC000246638219 879735605 /nfs/dbraw/zinc/73/56/05/879735605.db2.gz IBPLXSRDBPRIOL-MISYRCLQSA-N 2 1 377.598 3.758 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)c1 ZINC000790518053 879787084 /nfs/dbraw/zinc/78/70/84/879787084.db2.gz NQJBONNURFGCHF-UHFFFAOYSA-N 2 1 398.938 3.815 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000246951026 879858919 /nfs/dbraw/zinc/85/89/19/879858919.db2.gz ICEKFEZEVSSJMS-RTBURBONSA-N 2 1 390.535 3.888 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247095730 879917302 /nfs/dbraw/zinc/91/73/02/879917302.db2.gz OCHUDQXFZJTZOQ-CVEARBPZSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247095730 879917312 /nfs/dbraw/zinc/91/73/12/879917312.db2.gz OCHUDQXFZJTZOQ-CVEARBPZSA-N 2 1 387.351 3.683 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000247127437 879925005 /nfs/dbraw/zinc/92/50/05/879925005.db2.gz RNCRJLKOECYHGG-WMZHIEFXSA-N 2 1 379.548 3.745 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000247127437 879925013 /nfs/dbraw/zinc/92/50/13/879925013.db2.gz RNCRJLKOECYHGG-WMZHIEFXSA-N 2 1 379.548 3.745 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000247147403 879929863 /nfs/dbraw/zinc/92/98/63/879929863.db2.gz SSXDQBAXVHWTND-ZWKOTPCHSA-N 2 1 381.520 3.717 20 0 GHADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000247147403 879929879 /nfs/dbraw/zinc/92/98/79/879929879.db2.gz SSXDQBAXVHWTND-ZWKOTPCHSA-N 2 1 381.520 3.717 20 0 GHADMP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531645730 880251568 /nfs/dbraw/zinc/25/15/68/880251568.db2.gz YKTALNBLPQSLBK-NRFANRHFSA-N 2 1 389.584 3.705 20 0 GHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677375 880307107 /nfs/dbraw/zinc/30/71/07/880307107.db2.gz LPZYBMRSHKPKGH-PXNSSMCTSA-N 2 1 375.557 3.787 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2c3cc(Br)ccc3SC[C@H]2C)CC1 ZINC000531704482 880331767 /nfs/dbraw/zinc/33/17/67/880331767.db2.gz QJQISIIJQDUFPM-FZKQIMNGSA-N 2 1 399.398 3.932 20 0 GHADMP Cc1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000184654614 880355130 /nfs/dbraw/zinc/35/51/30/880355130.db2.gz KCZOMLRNVZYQOI-WMZHIEFXSA-N 2 1 394.563 3.818 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000453102754 880468870 /nfs/dbraw/zinc/46/88/70/880468870.db2.gz BFEWSQSFSLAEBJ-IBGZPJMESA-N 2 1 382.552 3.798 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453123366 880500511 /nfs/dbraw/zinc/50/05/11/880500511.db2.gz NJESXWAOZIVCGJ-BMXMUORJSA-N 2 1 383.580 3.666 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453135220 880530376 /nfs/dbraw/zinc/53/03/76/880530376.db2.gz WFGOPHAWOFAYSG-ZRBLBEILSA-N 2 1 380.532 3.591 20 0 GHADMP OCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453135220 880530384 /nfs/dbraw/zinc/53/03/84/880530384.db2.gz WFGOPHAWOFAYSG-ZRBLBEILSA-N 2 1 380.532 3.591 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnc(C4CC4)nc3)[C@@H]3CCC[C@H]32)cc1 ZINC000453173367 880577189 /nfs/dbraw/zinc/57/71/89/880577189.db2.gz IPWKTDXFBYQFGC-RJGXRXQPSA-N 2 1 376.548 3.929 20 0 GHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH+](C)CC1 ZINC000453263537 880697600 /nfs/dbraw/zinc/69/76/00/880697600.db2.gz YZDZJUWLGNUJAG-BHDDXSALSA-N 3 1 387.637 3.847 20 0 GHADMP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH+](C)CC1 ZINC000453263537 880697604 /nfs/dbraw/zinc/69/76/04/880697604.db2.gz YZDZJUWLGNUJAG-BHDDXSALSA-N 2 1 387.637 3.847 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000531899822 880708071 /nfs/dbraw/zinc/70/80/71/880708071.db2.gz AWKYOPJRFNCJAP-QGZVFWFLSA-N 2 1 379.976 3.912 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000531932028 880785273 /nfs/dbraw/zinc/78/52/73/880785273.db2.gz AGCKVXIYFIUESL-RXVVDRJESA-N 2 1 395.576 3.573 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453398900 880867649 /nfs/dbraw/zinc/86/76/49/880867649.db2.gz NIRMXRNUKPKWAL-JRRMTSHWSA-N 2 1 382.552 3.673 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1c(Br)cncc1Br)C1CC1 ZINC000453590809 881109464 /nfs/dbraw/zinc/10/94/64/881109464.db2.gz BMKKIBFGUFGNLB-UHFFFAOYSA-N 2 1 391.151 3.571 20 0 GHADMP CCCc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000187225930 881109720 /nfs/dbraw/zinc/10/97/20/881109720.db2.gz RCPCAFQYLHEKQM-QHCPKHFHSA-N 2 1 379.548 3.626 20 0 GHADMP CCOCC[N@@H+](C1CCC([NH+](C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001168331051 881147856 /nfs/dbraw/zinc/14/78/56/881147856.db2.gz XFXNEGSBONONJP-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000119939560 881219023 /nfs/dbraw/zinc/21/90/23/881219023.db2.gz UYNNGNMXRFXXLS-IBGZPJMESA-N 2 1 397.567 3.798 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000119939560 881219045 /nfs/dbraw/zinc/21/90/45/881219045.db2.gz UYNNGNMXRFXXLS-IBGZPJMESA-N 2 1 397.567 3.798 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000643369221 912661443 /nfs/dbraw/zinc/66/14/43/912661443.db2.gz KQLYSCJKZJITDS-UHFFFAOYSA-N 2 1 395.595 3.782 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](n2cncn2)C1 ZINC000551051677 883185905 /nfs/dbraw/zinc/18/59/05/883185905.db2.gz QLYVIXQOOGQHBM-IEQHTVHISA-N 2 1 379.552 3.793 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000551084318 883258931 /nfs/dbraw/zinc/25/89/31/883258931.db2.gz WQHANHLZKAJJHW-GOTSBHOMSA-N 2 1 398.595 3.918 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000551084318 883258948 /nfs/dbraw/zinc/25/89/48/883258948.db2.gz WQHANHLZKAJJHW-GOTSBHOMSA-N 2 1 398.595 3.918 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000537696418 883398439 /nfs/dbraw/zinc/39/84/39/883398439.db2.gz GIIXEGKZXYCKDX-VSKRKVRLSA-N 2 1 396.579 3.853 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000537696418 883398454 /nfs/dbraw/zinc/39/84/54/883398454.db2.gz GIIXEGKZXYCKDX-VSKRKVRLSA-N 2 1 396.579 3.853 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000551179268 883435359 /nfs/dbraw/zinc/43/53/59/883435359.db2.gz WNRBLSGBVZZVLM-HXUWFJFHSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476981186 883499088 /nfs/dbraw/zinc/49/90/88/883499088.db2.gz GXHMEWURCLABEF-RTWAWAEBSA-N 2 1 397.607 3.936 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000551270088 883579961 /nfs/dbraw/zinc/57/99/61/883579961.db2.gz KSHNCTBIJDYNPI-QFIPXVFZSA-N 2 1 384.520 3.516 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000859212993 883665680 /nfs/dbraw/zinc/66/56/80/883665680.db2.gz DJKDNFFLOOJZQE-ISKFKSNPSA-N 2 1 382.548 3.635 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000859212996 883665771 /nfs/dbraw/zinc/66/57/71/883665771.db2.gz DJKDNFFLOOJZQE-LADGPHEKSA-N 2 1 382.548 3.635 20 0 GHADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000859390085 883789595 /nfs/dbraw/zinc/78/95/95/883789595.db2.gz TZZRMRDDEFOTNY-FQEVSTJZSA-N 2 1 387.487 3.508 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000194889541 883978851 /nfs/dbraw/zinc/97/88/51/883978851.db2.gz WFAOBVPMYCVHPC-MOPGFXCFSA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000194889541 883978862 /nfs/dbraw/zinc/97/88/62/883978862.db2.gz WFAOBVPMYCVHPC-MOPGFXCFSA-N 2 1 397.567 3.701 20 0 GHADMP CCn1c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2cc(F)ccc21 ZINC000116761370 884174205 /nfs/dbraw/zinc/17/42/05/884174205.db2.gz LKZJNPPWFBHQBC-CALCHBBNSA-N 2 1 388.531 3.517 20 0 GHADMP CCn1c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2cc(F)ccc21 ZINC000116761370 884174214 /nfs/dbraw/zinc/17/42/14/884174214.db2.gz LKZJNPPWFBHQBC-CALCHBBNSA-N 2 1 388.531 3.517 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC001183749896 912796513 /nfs/dbraw/zinc/79/65/13/912796513.db2.gz QMJPFJAUUFKNTH-QHCPKHFHSA-N 2 1 395.522 3.523 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC001183749896 912796522 /nfs/dbraw/zinc/79/65/22/912796522.db2.gz QMJPFJAUUFKNTH-QHCPKHFHSA-N 2 1 395.522 3.523 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001183749896 912796531 /nfs/dbraw/zinc/79/65/31/912796531.db2.gz QMJPFJAUUFKNTH-QHCPKHFHSA-N 2 1 395.522 3.523 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001183749896 912796539 /nfs/dbraw/zinc/79/65/39/912796539.db2.gz QMJPFJAUUFKNTH-QHCPKHFHSA-N 2 1 395.522 3.523 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000250219682 884565483 /nfs/dbraw/zinc/56/54/83/884565483.db2.gz YEBOUKHFIUDGHE-UFYCRDLUSA-N 2 1 389.584 3.536 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000537489764 884633181 /nfs/dbraw/zinc/63/31/81/884633181.db2.gz ONLMUYPYFNLSQO-HXUWFJFHSA-N 2 1 386.584 3.688 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H](C)C1 ZINC000495163421 884700277 /nfs/dbraw/zinc/70/02/77/884700277.db2.gz BCKXSKCIOCSYDD-LZJOCLMNSA-N 2 1 397.966 3.784 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000498566783 884854341 /nfs/dbraw/zinc/85/43/41/884854341.db2.gz NHVODOVHSAYYSL-QHCPKHFHSA-N 2 1 379.548 3.808 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000498566783 884854357 /nfs/dbraw/zinc/85/43/57/884854357.db2.gz NHVODOVHSAYYSL-QHCPKHFHSA-N 2 1 379.548 3.808 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498566783 884854373 /nfs/dbraw/zinc/85/43/73/884854373.db2.gz NHVODOVHSAYYSL-QHCPKHFHSA-N 2 1 379.548 3.808 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@H](C)C1 ZINC000655734762 884995591 /nfs/dbraw/zinc/99/55/91/884995591.db2.gz AVIMIFMJKRXJNF-AUSIDOKSSA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)[C@H](C)C1 ZINC000655734762 884995609 /nfs/dbraw/zinc/99/56/09/884995609.db2.gz AVIMIFMJKRXJNF-AUSIDOKSSA-N 2 1 384.568 3.716 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000763433432 885105835 /nfs/dbraw/zinc/10/58/35/885105835.db2.gz RHSIVWINFWDUSS-XMSQKQJNSA-N 2 1 390.568 3.714 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556512787 885206506 /nfs/dbraw/zinc/20/65/06/885206506.db2.gz QZKXBEJXEOZDDL-UHFFFAOYSA-N 2 1 397.407 3.794 20 0 GHADMP Cc1c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccn1C(C)C ZINC000556548788 885340193 /nfs/dbraw/zinc/34/01/93/885340193.db2.gz NLLCISFNLLYZDL-UHFFFAOYSA-N 2 1 388.600 3.646 20 0 GHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442296 885451458 /nfs/dbraw/zinc/45/14/58/885451458.db2.gz KSTAJQGUTPYYFM-FXAWDEMLSA-N 2 1 375.557 3.787 20 0 GHADMP C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001183982561 912939609 /nfs/dbraw/zinc/93/96/09/912939609.db2.gz SDQSHCKXWDAYBA-QHCPKHFHSA-N 2 1 379.548 3.679 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000532446477 885491652 /nfs/dbraw/zinc/49/16/52/885491652.db2.gz BBNXZINLFXSSQK-FQEVSTJZSA-N 2 1 381.564 3.992 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccc1C ZINC000915057838 885594193 /nfs/dbraw/zinc/59/41/93/885594193.db2.gz BLNIVHNJPBQYAY-UHFFFAOYSA-N 2 1 394.563 3.598 20 0 GHADMP Brc1ccccc1CC1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655770255 885691574 /nfs/dbraw/zinc/69/15/74/885691574.db2.gz DXRYEGAGEDVXEH-SFHVURJKSA-N 2 1 393.369 3.757 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444541 885794070 /nfs/dbraw/zinc/79/40/70/885794070.db2.gz JHKXCXFCUBNMKY-NFBKMPQASA-N 2 1 378.564 3.546 20 0 GHADMP CCN(C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000131263989 912989513 /nfs/dbraw/zinc/98/95/13/912989513.db2.gz RDNKGVOEPKGUAQ-LJQANCHMSA-N 2 1 390.531 3.881 20 0 GHADMP CCN(C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1cccc2ccccc21 ZINC000131263989 912989533 /nfs/dbraw/zinc/98/95/33/912989533.db2.gz RDNKGVOEPKGUAQ-LJQANCHMSA-N 2 1 390.531 3.881 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532537489 885934085 /nfs/dbraw/zinc/93/40/85/885934085.db2.gz RYZARDDPTHBGQF-OAHLLOKOSA-N 2 1 381.948 3.728 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532537489 885934108 /nfs/dbraw/zinc/93/41/08/885934108.db2.gz RYZARDDPTHBGQF-OAHLLOKOSA-N 2 1 381.948 3.728 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3Cl)C2)CC1 ZINC000498850061 885935361 /nfs/dbraw/zinc/93/53/61/885935361.db2.gz NJNZJETZYPVLMY-RBUKOAKNSA-N 2 1 380.960 3.524 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3Cl)C2)CC1 ZINC000498850061 885935370 /nfs/dbraw/zinc/93/53/70/885935370.db2.gz NJNZJETZYPVLMY-RBUKOAKNSA-N 2 1 380.960 3.524 20 0 GHADMP O=C(C[N@H+]1CCCc2ccccc2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000498910936 886101309 /nfs/dbraw/zinc/10/13/09/886101309.db2.gz GVWNRUUIJFFBCM-UHFFFAOYSA-N 2 1 395.572 3.622 20 0 GHADMP Cc1c(Cl)cccc1NC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000919718585 886215092 /nfs/dbraw/zinc/21/50/92/886215092.db2.gz GUGWJSCOGSFPKH-UHFFFAOYSA-N 2 1 375.929 3.604 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000862252863 886258758 /nfs/dbraw/zinc/25/87/58/886258758.db2.gz IAFYSKKPLDNEST-CGTJXYLNSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000862252863 886258775 /nfs/dbraw/zinc/25/87/75/886258775.db2.gz IAFYSKKPLDNEST-CGTJXYLNSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000862252863 886258795 /nfs/dbraw/zinc/25/87/95/886258795.db2.gz IAFYSKKPLDNEST-CGTJXYLNSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000862252863 886258813 /nfs/dbraw/zinc/25/88/13/886258813.db2.gz IAFYSKKPLDNEST-CGTJXYLNSA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+](C)C1CCC([N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001168321462 886386607 /nfs/dbraw/zinc/38/66/07/886386607.db2.gz HPGLLIDFHAXKSE-UHFFFAOYSA-N 2 1 398.576 3.669 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119066011 886403762 /nfs/dbraw/zinc/40/37/62/886403762.db2.gz GKWFDYQXADTUIA-KPQWGBOZSA-N 2 1 392.632 3.793 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000465553581 886523072 /nfs/dbraw/zinc/52/30/72/886523072.db2.gz VXRVQSMMPDONIJ-RTWAWAEBSA-N 2 1 388.600 3.831 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057138373 886532086 /nfs/dbraw/zinc/53/20/86/886532086.db2.gz XOBFPAQOOWQGQK-DEOSSOPVSA-N 2 1 391.559 3.811 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000499069433 886602626 /nfs/dbraw/zinc/60/26/26/886602626.db2.gz MXKPLXOJGNYAHI-INIZCTEOSA-N 2 1 381.261 3.633 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000499069433 886602632 /nfs/dbraw/zinc/60/26/32/886602632.db2.gz MXKPLXOJGNYAHI-INIZCTEOSA-N 2 1 381.261 3.633 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000116546133 886622476 /nfs/dbraw/zinc/62/24/76/886622476.db2.gz LXOJPEVSTKJJDT-VQTJNVASSA-N 2 1 386.584 3.632 20 0 GHADMP COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1NC(C)=O ZINC000131971710 886625189 /nfs/dbraw/zinc/62/51/89/886625189.db2.gz OFVJJMHNXCIUMB-HNNXBMFYSA-N 2 1 378.476 3.999 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000537619706 886752184 /nfs/dbraw/zinc/75/21/84/886752184.db2.gz HGWZTOQOAXIENW-OAQYLSRUSA-N 2 1 385.596 4.000 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000126711482 887000904 /nfs/dbraw/zinc/00/09/04/887000904.db2.gz BENZKOQXXHISPD-JXFKEZNVSA-N 2 1 378.944 3.953 20 0 GHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128573660 887201947 /nfs/dbraw/zinc/20/19/47/887201947.db2.gz IEGOTRXFBPPESM-UHFFFAOYSA-N 2 1 384.572 3.760 20 0 GHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128573660 887201977 /nfs/dbraw/zinc/20/19/77/887201977.db2.gz IEGOTRXFBPPESM-UHFFFAOYSA-N 2 1 384.572 3.760 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](c3nc([C@H]4CCC[NH2+]C4)no3)[C@H](C3CCCC3)C2)cc1 ZINC000863654795 887264570 /nfs/dbraw/zinc/26/45/70/887264570.db2.gz OIHMUNPYVVXLGA-PCCBWWKXSA-N 2 1 380.536 3.942 20 0 GHADMP c1csc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2nc(C3CC[NH2+]CC3)no2)c1 ZINC000863654542 887264906 /nfs/dbraw/zinc/26/49/06/887264906.db2.gz HAQMNJFYHAARKJ-OALUTQOASA-N 2 1 394.544 3.981 20 0 GHADMP CCN(c1ccc(NC(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1)C(C)C ZINC000915689478 887308700 /nfs/dbraw/zinc/30/87/00/887308700.db2.gz QAFABVCYAMUUDR-UHFFFAOYSA-N 2 1 388.600 3.914 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000809623054 887620882 /nfs/dbraw/zinc/62/08/82/887620882.db2.gz PNIOXXYKQPSJRO-UHFFFAOYSA-N 2 1 384.524 3.610 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000809622856 887621289 /nfs/dbraw/zinc/62/12/89/887621289.db2.gz MZPLBMQOULELLK-IDMDMSBLSA-N 2 1 379.570 3.776 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000809622856 887621294 /nfs/dbraw/zinc/62/12/94/887621294.db2.gz MZPLBMQOULELLK-IDMDMSBLSA-N 2 1 379.570 3.776 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc(Br)c1O ZINC000459357770 887637245 /nfs/dbraw/zinc/63/72/45/887637245.db2.gz DEXMMJXPYPQPKY-XJKSGUPXSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc(Br)c1O ZINC000459357770 887637249 /nfs/dbraw/zinc/63/72/49/887637249.db2.gz DEXMMJXPYPQPKY-XJKSGUPXSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc(Br)c1O ZINC000459357770 887637253 /nfs/dbraw/zinc/63/72/53/887637253.db2.gz DEXMMJXPYPQPKY-XJKSGUPXSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc(Br)c1O ZINC000459357770 887637257 /nfs/dbraw/zinc/63/72/57/887637257.db2.gz DEXMMJXPYPQPKY-XJKSGUPXSA-N 2 1 385.346 3.716 20 0 GHADMP C[NH+](C)[C@H](CNc1cc[nH+]c(N2CCOCC2)c1)c1ccc(Cl)cc1Cl ZINC001170588635 887962658 /nfs/dbraw/zinc/96/26/58/887962658.db2.gz KNECKSZHMRVAOI-GOSISDBHSA-N 2 1 395.334 3.940 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809965041 888008119 /nfs/dbraw/zinc/00/81/19/888008119.db2.gz CDDNVDOTMLVGDJ-WGSAOQKQSA-N 2 1 378.561 3.845 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809965041 888008131 /nfs/dbraw/zinc/00/81/31/888008131.db2.gz CDDNVDOTMLVGDJ-WGSAOQKQSA-N 2 1 378.561 3.845 20 0 GHADMP Cc1cc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc(C)[nH+]1 ZINC001170593969 888053929 /nfs/dbraw/zinc/05/39/29/888053929.db2.gz HHANMLVEAUFIDH-QFIPXVFZSA-N 2 1 376.504 3.569 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2c[nH]c3cccc(Br)c23)s1 ZINC000810163684 888254707 /nfs/dbraw/zinc/25/47/07/888254707.db2.gz DIHBEJUGRDDGPD-UHFFFAOYSA-N 2 1 393.354 3.781 20 0 GHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000810259197 888323049 /nfs/dbraw/zinc/32/30/49/888323049.db2.gz FBEMTHSXBHORAB-UAFMIMERSA-N 2 1 397.604 3.501 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000810259197 888323060 /nfs/dbraw/zinc/32/30/60/888323060.db2.gz FBEMTHSXBHORAB-UAFMIMERSA-N 2 1 397.604 3.501 20 0 GHADMP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000670273831 888379617 /nfs/dbraw/zinc/37/96/17/888379617.db2.gz FTBZISNPYYRHBS-YADHBBJMSA-N 2 1 392.547 3.715 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810413195 888478272 /nfs/dbraw/zinc/47/82/72/888478272.db2.gz QXFSNTWZMJPBTP-JTSKRJEESA-N 2 1 375.532 3.541 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCC([NH3+])CC1 ZINC000841724299 888582493 /nfs/dbraw/zinc/58/24/93/888582493.db2.gz RVGUHQLTBMENDU-UHFFFAOYSA-N 2 1 386.584 3.862 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N(CC[N@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000810619016 888684293 /nfs/dbraw/zinc/68/42/93/888684293.db2.gz WYEQYPJIRIHKPQ-URXFXBBRSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH+]1C ZINC000810619016 888684299 /nfs/dbraw/zinc/68/42/99/888684299.db2.gz WYEQYPJIRIHKPQ-URXFXBBRSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000810662843 888751423 /nfs/dbraw/zinc/75/14/23/888751423.db2.gz ICEYIDWBQVUXFX-LRXVAGHRSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H](OC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810662843 888751434 /nfs/dbraw/zinc/75/14/34/888751434.db2.gz ICEYIDWBQVUXFX-LRXVAGHRSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H](OC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810662843 888751443 /nfs/dbraw/zinc/75/14/43/888751443.db2.gz ICEYIDWBQVUXFX-LRXVAGHRSA-N 2 1 376.516 3.653 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866466882 888894594 /nfs/dbraw/zinc/89/45/94/888894594.db2.gz NZCFPQSTCNZSKW-LWYYNNOASA-N 2 1 397.604 3.549 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245707494 889350624 /nfs/dbraw/zinc/35/06/24/889350624.db2.gz MSAPLDFSWGPIRZ-DKUWSORSSA-N 2 1 393.531 3.669 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168515096 889506940 /nfs/dbraw/zinc/50/69/40/889506940.db2.gz QNPXSOSAOMZFSY-UGUYLWEFSA-N 2 1 393.494 3.779 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C(F)(F)F ZINC001168515281 889522837 /nfs/dbraw/zinc/52/28/37/889522837.db2.gz RERFMXKSZFFOHM-ZBFHGGJFSA-N 2 1 391.478 3.533 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635844 913416409 /nfs/dbraw/zinc/41/64/09/913416409.db2.gz DBOFQYFYBWMBJM-ZJSXRUAMSA-N 2 1 390.527 3.691 20 0 GHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)[C@H](O)c1cccc(O)c1 ZINC001170674857 890532498 /nfs/dbraw/zinc/53/24/98/890532498.db2.gz IESYQAAJQQNDLX-VPKVUBIPSA-N 2 1 380.492 3.591 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)cc2)CC1 ZINC000126714094 890661333 /nfs/dbraw/zinc/66/13/33/890661333.db2.gz CEYPKBRQBZXXHE-QHCPKHFHSA-N 2 1 391.559 3.970 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000917008830 890723288 /nfs/dbraw/zinc/72/32/88/890723288.db2.gz SLSNFJWKAKGDKH-JPYJTQIMSA-N 2 1 398.547 3.901 20 0 GHADMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Cc2ccccc21 ZINC000917040495 890763841 /nfs/dbraw/zinc/76/38/41/890763841.db2.gz RPYKWAWGVHLOPM-LJQANCHMSA-N 2 1 377.532 3.518 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)Cc2ccccc21 ZINC000917040495 890763859 /nfs/dbraw/zinc/76/38/59/890763859.db2.gz RPYKWAWGVHLOPM-LJQANCHMSA-N 2 1 377.532 3.518 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000533547969 890821522 /nfs/dbraw/zinc/82/15/22/890821522.db2.gz JPOQUTKVPTVHKR-VAMGGRTRSA-N 2 1 397.563 3.694 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000066939135 891134909 /nfs/dbraw/zinc/13/49/09/891134909.db2.gz SLKYTKTYYDGYMY-QHCPKHFHSA-N 2 1 391.490 3.871 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137064773 891389533 /nfs/dbraw/zinc/38/95/33/891389533.db2.gz OFHFRJIVURKRRN-LJQANCHMSA-N 2 1 399.535 3.728 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1(C(=O)OC)CCC1 ZINC000497526796 891792813 /nfs/dbraw/zinc/79/28/13/891792813.db2.gz YLXCUHIZMVMXFN-LVCYWYKZSA-N 2 1 388.552 3.507 20 0 GHADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000813861321 892032470 /nfs/dbraw/zinc/03/24/70/892032470.db2.gz QTXHKCFCHSBCPP-WTNAPCKOSA-N 2 1 376.516 3.526 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2cccc(Br)c21 ZINC000128516196 892053190 /nfs/dbraw/zinc/05/31/90/892053190.db2.gz YNQOSRSXZVOUND-YJBOKZPZSA-N 2 1 380.374 3.615 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[N@H+]1Cc1ccccc1 ZINC000262343556 892265657 /nfs/dbraw/zinc/26/56/57/892265657.db2.gz SZYVHALQXUCJOW-GZJUGYGISA-N 2 1 383.580 3.557 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[N@H+]1Cc1ccccc1 ZINC000262343558 892267356 /nfs/dbraw/zinc/26/73/56/892267356.db2.gz SZYVHALQXUCJOW-PPLUNLGQSA-N 2 1 383.580 3.557 20 0 GHADMP CC1(C)C(=O)N(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[C@@H]1C1CC1 ZINC000814225714 892418132 /nfs/dbraw/zinc/41/81/32/892418132.db2.gz WVPUKPSGLFKGDR-OAQYLSRUSA-N 2 1 381.564 3.579 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000875477838 892634991 /nfs/dbraw/zinc/63/49/91/892634991.db2.gz RMGKXDQWCYXTDW-CTNGQTDRSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712514 892829088 /nfs/dbraw/zinc/82/90/88/892829088.db2.gz CTJOGHTUHNRILL-PZJWPPBQSA-N 2 1 397.538 3.663 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645153542 913710984 /nfs/dbraw/zinc/71/09/84/913710984.db2.gz DWHPKWXPGVSVNU-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000876719728 893301242 /nfs/dbraw/zinc/30/12/42/893301242.db2.gz TUKSCGVMMNHXRA-UWJYYQICSA-N 2 1 395.551 3.600 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000876970432 893415642 /nfs/dbraw/zinc/41/56/42/893415642.db2.gz RHCOBXDJTJFYLZ-XWXLMPLOSA-N 2 1 382.485 3.720 20 0 GHADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000876970432 893415646 /nfs/dbraw/zinc/41/56/46/893415646.db2.gz RHCOBXDJTJFYLZ-XWXLMPLOSA-N 2 1 382.485 3.720 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000876970433 893415993 /nfs/dbraw/zinc/41/59/93/893415993.db2.gz RHCOBXDJTJFYLZ-ZENTWMBTSA-N 2 1 382.485 3.720 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000876970433 893416000 /nfs/dbraw/zinc/41/60/00/893416000.db2.gz RHCOBXDJTJFYLZ-ZENTWMBTSA-N 2 1 382.485 3.720 20 0 GHADMP c1ccc([C@@H]2C[C@@H](NC3CC[NH+](C[C@H]4CCCO4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000877031298 893445794 /nfs/dbraw/zinc/44/57/94/893445794.db2.gz PMVBMAUBCHNABB-QTJGBDASSA-N 2 1 383.580 3.588 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc(C3CC3)cc2)c1 ZINC000459463034 893578276 /nfs/dbraw/zinc/57/82/76/893578276.db2.gz KSHXIHFZOZELED-UHFFFAOYSA-N 2 1 393.531 3.515 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)CC1 ZINC000536708157 893612258 /nfs/dbraw/zinc/61/22/58/893612258.db2.gz UUQVIKHSMFWGCY-DEOSSOPVSA-N 2 1 393.575 3.866 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(OC(F)F)cc1C ZINC000536709237 893615704 /nfs/dbraw/zinc/61/57/04/893615704.db2.gz DJFPPTPEXNPEDU-IBGZPJMESA-N 2 1 381.511 3.505 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3cccc(C)c3)CC2)CC1 ZINC000563374916 893678901 /nfs/dbraw/zinc/67/89/01/893678901.db2.gz SJKOGJIFMQEXPS-QHCPKHFHSA-N 2 1 383.580 3.855 20 0 GHADMP CC(C)C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)C(=O)Nc1nccs1 ZINC000556118126 893831135 /nfs/dbraw/zinc/83/11/35/893831135.db2.gz LCFPVQVNJHPOLB-CEXWTWQISA-N 2 1 386.565 3.921 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563506639 893842406 /nfs/dbraw/zinc/84/24/06/893842406.db2.gz UMKWGCJPAOMXJA-NRFANRHFSA-N 2 1 378.520 3.712 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000536840272 893913097 /nfs/dbraw/zinc/91/30/97/893913097.db2.gz RORVYVLXBDONBY-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000536840272 893913107 /nfs/dbraw/zinc/91/31/07/893913107.db2.gz RORVYVLXBDONBY-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000536852557 893936563 /nfs/dbraw/zinc/93/65/63/893936563.db2.gz NWXCGNNHFBYCKP-KYNGSXCRSA-N 2 1 386.565 3.542 20 0 GHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000536829933 893939840 /nfs/dbraw/zinc/93/98/40/893939840.db2.gz AIKDZZWGWQACGT-PZJWPPBQSA-N 2 1 389.584 3.562 20 0 GHADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000536829933 893939849 /nfs/dbraw/zinc/93/98/49/893939849.db2.gz AIKDZZWGWQACGT-PZJWPPBQSA-N 2 1 389.584 3.562 20 0 GHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159985 894058047 /nfs/dbraw/zinc/05/80/47/894058047.db2.gz CERHPDRETANDNA-VWNXMTODSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159985 894058053 /nfs/dbraw/zinc/05/80/53/894058053.db2.gz CERHPDRETANDNA-VWNXMTODSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@H]4CC5(CO4)CCOCC5)C3)C2)cc1 ZINC000878159985 894058068 /nfs/dbraw/zinc/05/80/68/894058068.db2.gz CERHPDRETANDNA-VWNXMTODSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C[C@H]2CC4(CO2)CCOCC4)CC3)cc1 ZINC000878321782 894192874 /nfs/dbraw/zinc/19/28/74/894192874.db2.gz BNDXMVMOXGAEHT-JOCHJYFZSA-N 2 1 384.564 3.560 20 0 GHADMP CN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288811764 913888564 /nfs/dbraw/zinc/88/85/64/913888564.db2.gz ZNDCNEGRYFGVKK-PJEZACDQSA-N 2 1 398.595 3.554 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000288811764 913888575 /nfs/dbraw/zinc/88/85/75/913888575.db2.gz ZNDCNEGRYFGVKK-PJEZACDQSA-N 2 1 398.595 3.554 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000288811764 913888591 /nfs/dbraw/zinc/88/85/91/913888591.db2.gz ZNDCNEGRYFGVKK-PJEZACDQSA-N 2 1 398.595 3.554 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000564236649 894753635 /nfs/dbraw/zinc/75/36/35/894753635.db2.gz BUGTYGFYBVCOPD-QPTUXGOLSA-N 2 1 386.580 3.853 20 0 GHADMP C[NH+](C)CC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000460211606 894905451 /nfs/dbraw/zinc/90/54/51/894905451.db2.gz NUVANQBIZHJYIC-FRIKZZABSA-N 2 1 383.580 3.810 20 0 GHADMP CN(C(=O)CC(C)(C)CC(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000879290080 894955362 /nfs/dbraw/zinc/95/53/62/894955362.db2.gz AGXPCEQADUDKMK-MSOLQXFVSA-N 2 1 387.559 3.854 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000816615849 894977342 /nfs/dbraw/zinc/97/73/42/894977342.db2.gz HJFRZWRGMLJAHD-FQEVSTJZSA-N 2 1 379.504 3.523 20 0 GHADMP Cn1cncc1CCC[N@H+]1CCOc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC000879403692 895035301 /nfs/dbraw/zinc/03/53/01/895035301.db2.gz FHTFNMGQJJMEHH-UHFFFAOYSA-N 2 1 386.496 3.594 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)[NH+](C)C)cc1 ZINC001135714395 895149718 /nfs/dbraw/zinc/14/97/18/895149718.db2.gz IAKOXKJZXYEUNY-SFTDATJTSA-N 2 1 387.955 3.924 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[NH+](CC)CC)cc1 ZINC000565094958 895386855 /nfs/dbraw/zinc/38/68/55/895386855.db2.gz WNYUWKUKYNILHR-UNMCSNQZSA-N 2 1 382.552 3.516 20 0 GHADMP O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817276265 895463521 /nfs/dbraw/zinc/46/35/21/895463521.db2.gz XBPYCFABAWFFQR-DNQXCXABSA-N 2 1 398.522 3.746 20 0 GHADMP O[C@H](C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817276265 895463539 /nfs/dbraw/zinc/46/35/39/895463539.db2.gz XBPYCFABAWFFQR-DNQXCXABSA-N 2 1 398.522 3.746 20 0 GHADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C1(C(=O)Nc3ccccc3)CC1)c1ccccc1O2 ZINC000565575280 895735704 /nfs/dbraw/zinc/73/57/04/895735704.db2.gz DWHHZUGNUYOSLT-FQEVSTJZSA-N 2 1 391.515 3.736 20 0 GHADMP Cc1cc(Br)cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000774910605 914008935 /nfs/dbraw/zinc/00/89/35/914008935.db2.gz SNYZGSWORLPWBD-UHFFFAOYSA-N 2 1 394.401 3.748 20 0 GHADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000565835668 895920706 /nfs/dbraw/zinc/92/07/06/895920706.db2.gz HKIJUNQJHIWYMH-OFAXGOBFSA-N 2 1 394.563 3.539 20 0 GHADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000565835668 895920711 /nfs/dbraw/zinc/92/07/11/895920711.db2.gz HKIJUNQJHIWYMH-OFAXGOBFSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H](NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C1=CC[N@@H+](C)CC1 ZINC000543764494 914024019 /nfs/dbraw/zinc/02/40/19/914024019.db2.gz PTDSGCDERIKTDR-LJQANCHMSA-N 2 1 384.568 3.733 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000566225973 896189239 /nfs/dbraw/zinc/18/92/39/896189239.db2.gz HOASESPPGLXRDR-PXNSSMCTSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000566225973 896189247 /nfs/dbraw/zinc/18/92/47/896189247.db2.gz HOASESPPGLXRDR-PXNSSMCTSA-N 2 1 384.520 3.842 20 0 GHADMP CC[N@H+](C)[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)c1ccccc1 ZINC000289123283 914046306 /nfs/dbraw/zinc/04/63/06/914046306.db2.gz RACSDIOQVAEBCD-FQEVSTJZSA-N 2 1 380.492 3.718 20 0 GHADMP CC[N@@H+](C)[C@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)c1ccccc1 ZINC000289123283 914046323 /nfs/dbraw/zinc/04/63/23/914046323.db2.gz RACSDIOQVAEBCD-FQEVSTJZSA-N 2 1 380.492 3.718 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3cccc(Cl)c3)CC2)cs1 ZINC000819050058 896341767 /nfs/dbraw/zinc/34/17/67/896341767.db2.gz PSDMGXQQTFVSGG-LJQANCHMSA-N 2 1 393.984 3.894 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000129202682 896503333 /nfs/dbraw/zinc/50/33/33/896503333.db2.gz CAGJEIZSZNWCMI-VQIMIIECSA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000129202682 896503337 /nfs/dbraw/zinc/50/33/37/896503337.db2.gz CAGJEIZSZNWCMI-VQIMIIECSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000129202682 896503340 /nfs/dbraw/zinc/50/33/40/896503340.db2.gz CAGJEIZSZNWCMI-VQIMIIECSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000129202682 896503342 /nfs/dbraw/zinc/50/33/42/896503342.db2.gz CAGJEIZSZNWCMI-VQIMIIECSA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819366469 896641866 /nfs/dbraw/zinc/64/18/66/896641866.db2.gz QNNGPJRIOFSVMC-CXAGYDPISA-N 2 1 389.765 3.632 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c3CCOC4)cc2)C[C@H](C)O1 ZINC000882884562 897074933 /nfs/dbraw/zinc/07/49/33/897074933.db2.gz OJOKZACNRKQILL-KDURUIRLSA-N 2 1 380.532 3.658 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567869694 897463836 /nfs/dbraw/zinc/46/38/36/897463836.db2.gz FQUGNDZJVFMKKU-NRFANRHFSA-N 2 1 392.547 3.836 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567869694 897463843 /nfs/dbraw/zinc/46/38/43/897463843.db2.gz FQUGNDZJVFMKKU-NRFANRHFSA-N 2 1 392.547 3.836 20 0 GHADMP CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567899594 897477559 /nfs/dbraw/zinc/47/75/59/897477559.db2.gz IQLKEWZMLQJVMO-OFNKIYASSA-N 2 1 387.568 3.700 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000568211313 897676791 /nfs/dbraw/zinc/67/67/91/897676791.db2.gz YZZGCGAECMNSTE-QHCPKHFHSA-N 2 1 393.575 3.823 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643978 897835008 /nfs/dbraw/zinc/83/50/08/897835008.db2.gz ZESZKOMLOXBVLC-UYAOXDASSA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643978 897835019 /nfs/dbraw/zinc/83/50/19/897835019.db2.gz ZESZKOMLOXBVLC-UYAOXDASSA-N 2 1 384.520 3.678 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C2 ZINC000289475528 914204061 /nfs/dbraw/zinc/20/40/61/914204061.db2.gz JKRCURSWEJDQKW-GGPKGHCWSA-N 2 1 394.563 3.548 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000822456140 898384186 /nfs/dbraw/zinc/38/41/86/898384186.db2.gz PDGZDRGOUXDSCE-WCIQWLHISA-N 2 1 397.604 3.501 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(C)C)cc1Cl ZINC000569476561 898697741 /nfs/dbraw/zinc/69/77/41/898697741.db2.gz YCLFALISWLCGHM-HQSKLWIPSA-N 2 1 380.960 3.726 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000569909177 899019655 /nfs/dbraw/zinc/01/96/55/899019655.db2.gz XFKRAJVIJJRLQH-OFNKIYASSA-N 2 1 393.531 3.912 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@@H]([C@H](C)[NH3+])C4)cc3)nc12 ZINC000569926904 899028161 /nfs/dbraw/zinc/02/81/61/899028161.db2.gz HPQLUIWRKRRAKU-AZUAARDMSA-N 2 1 378.520 3.781 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000570048041 899091303 /nfs/dbraw/zinc/09/13/03/899091303.db2.gz DXVRPSQNTSFGQE-WQWLHFTFSA-N 2 1 375.601 3.643 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000823742125 899213797 /nfs/dbraw/zinc/21/37/97/899213797.db2.gz JTWXPDYBEGFQNO-UXHICEINSA-N 2 1 384.524 3.922 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570443774 899321402 /nfs/dbraw/zinc/32/14/02/899321402.db2.gz ANGNGAVCHWMGSA-HXUWFJFHSA-N 2 1 383.511 3.617 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803574 899336859 /nfs/dbraw/zinc/33/68/59/899336859.db2.gz FPGYLYHUNKSNHO-IEBWSBKVSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803574 899336874 /nfs/dbraw/zinc/33/68/74/899336874.db2.gz FPGYLYHUNKSNHO-IEBWSBKVSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803574 899336884 /nfs/dbraw/zinc/33/68/84/899336884.db2.gz FPGYLYHUNKSNHO-IEBWSBKVSA-N 2 1 397.485 3.516 20 0 GHADMP Cn1c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2cccc(Cl)c21 ZINC000570562442 899392926 /nfs/dbraw/zinc/39/29/26/899392926.db2.gz KNHPXQMDABNETN-UTKZUKDTSA-N 2 1 382.895 3.572 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000646249176 914352199 /nfs/dbraw/zinc/35/21/99/914352199.db2.gz OXXWFQPTNWWCIG-WTIAFYNJSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000570865043 899650144 /nfs/dbraw/zinc/65/01/44/899650144.db2.gz MXBQUZZCWQGZPU-FPOVZHCZSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000570865043 899650155 /nfs/dbraw/zinc/65/01/55/899650155.db2.gz MXBQUZZCWQGZPU-FPOVZHCZSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000570865043 899650164 /nfs/dbraw/zinc/65/01/64/899650164.db2.gz MXBQUZZCWQGZPU-FPOVZHCZSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000570865043 899650169 /nfs/dbraw/zinc/65/01/69/899650169.db2.gz MXBQUZZCWQGZPU-FPOVZHCZSA-N 2 1 376.504 3.932 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824553590 899683130 /nfs/dbraw/zinc/68/31/30/899683130.db2.gz DCRVICPEVAGYPG-SSKFGXFMSA-N 2 1 388.519 3.811 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824546743 899703609 /nfs/dbraw/zinc/70/36/09/899703609.db2.gz KTPVPICTEHBMKE-VWKPWSFCSA-N 2 1 376.508 3.667 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824546743 899703613 /nfs/dbraw/zinc/70/36/13/899703613.db2.gz KTPVPICTEHBMKE-VWKPWSFCSA-N 2 1 376.508 3.667 20 0 GHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646277648 914377461 /nfs/dbraw/zinc/37/74/61/914377461.db2.gz XYLMIWFHGQFEBM-BMGDILEWSA-N 2 1 383.939 3.612 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)cc1 ZINC000825305281 900083123 /nfs/dbraw/zinc/08/31/23/900083123.db2.gz GZYTWVKUOCSOIX-LJQANCHMSA-N 2 1 377.326 3.676 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC001137025464 900122338 /nfs/dbraw/zinc/12/23/38/900122338.db2.gz GRWKNNASKSKIBF-VEXUSMLFSA-N 2 1 377.532 3.844 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC001137025464 900122343 /nfs/dbraw/zinc/12/23/43/900122343.db2.gz GRWKNNASKSKIBF-VEXUSMLFSA-N 2 1 377.532 3.844 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC001137025464 900122350 /nfs/dbraw/zinc/12/23/50/900122350.db2.gz GRWKNNASKSKIBF-VEXUSMLFSA-N 2 1 377.532 3.844 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC001137025464 900122355 /nfs/dbraw/zinc/12/23/55/900122355.db2.gz GRWKNNASKSKIBF-VEXUSMLFSA-N 2 1 377.532 3.844 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001143674072 900329095 /nfs/dbraw/zinc/32/90/95/900329095.db2.gz ILECRXWZAPTAFW-MJGOQNOKSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001143674072 900329100 /nfs/dbraw/zinc/32/91/00/900329100.db2.gz ILECRXWZAPTAFW-MJGOQNOKSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001143674072 900329103 /nfs/dbraw/zinc/32/91/03/900329103.db2.gz ILECRXWZAPTAFW-MJGOQNOKSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001143674072 900329107 /nfs/dbraw/zinc/32/91/07/900329107.db2.gz ILECRXWZAPTAFW-MJGOQNOKSA-N 2 1 392.469 3.701 20 0 GHADMP [NH3+][C@H]1CCc2c3ccccc3n(-c3c[nH+]c4cc(Br)ccn43)c2C1 ZINC001171096496 900355502 /nfs/dbraw/zinc/35/55/02/900355502.db2.gz XPNQCTIHYOLTCP-ZDUSSCGKSA-N 2 1 381.277 3.857 20 0 GHADMP Cc1ccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c(C[NH+]2CCOCC2)c1 ZINC001171099857 900482209 /nfs/dbraw/zinc/48/22/09/900482209.db2.gz QJHWBFSNMYKGLW-IBGZPJMESA-N 2 1 375.516 3.587 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)C[C@H]1C[C@]12CCOC2 ZINC000886098004 900721129 /nfs/dbraw/zinc/72/11/29/900721129.db2.gz HYLVWRUMSFAJBW-SBFWRKJZSA-N 2 1 390.612 3.654 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000574021380 900745118 /nfs/dbraw/zinc/74/51/18/900745118.db2.gz KLMURYNUYCYBLL-YZGWKJHDSA-N 2 1 384.568 3.961 20 0 GHADMP COc1cccc(COc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1 ZINC000886164400 900853484 /nfs/dbraw/zinc/85/34/84/900853484.db2.gz JXDZWONCZABAJT-QFIPXVFZSA-N 2 1 396.531 3.617 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000574780295 901009565 /nfs/dbraw/zinc/00/95/65/901009565.db2.gz NJJUJUJYGFPKIQ-QTEQDKRBSA-N 2 1 398.595 3.687 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844586954 901036294 /nfs/dbraw/zinc/03/62/94/901036294.db2.gz FMVNJXZEXWLQBT-GOSISDBHSA-N 2 1 392.638 3.645 20 0 GHADMP Cc1c(O)cccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001144112693 901077280 /nfs/dbraw/zinc/07/72/80/901077280.db2.gz LKAARSCMGHADSE-JOCHJYFZSA-N 2 1 380.532 3.956 20 0 GHADMP c1cc(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822739 901287064 /nfs/dbraw/zinc/28/70/64/901287064.db2.gz ULPPVDYDBQGOPR-ZJZGAYNASA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@]1(CNC(=O)Nc2cccc3c2CC[NH2+]C3)CCC[N@H+]1Cc1ccccc1 ZINC000575851787 901385342 /nfs/dbraw/zinc/38/53/42/901385342.db2.gz SXXKLDAIARZZTF-QHCPKHFHSA-N 2 1 378.520 3.509 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-n4cccc4)cc3)C2)C1 ZINC001144240655 901393947 /nfs/dbraw/zinc/39/39/47/901393947.db2.gz CZXXXBBBCHMKKW-ISKFKSNPSA-N 2 1 379.548 3.658 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(-n4cccc4)cc3)C2)C1 ZINC001144240655 901393959 /nfs/dbraw/zinc/39/39/59/901393959.db2.gz CZXXXBBBCHMKKW-ISKFKSNPSA-N 2 1 379.548 3.658 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(-n4cccc4)cc3)C2)C1 ZINC001144240655 901393967 /nfs/dbraw/zinc/39/39/67/901393967.db2.gz CZXXXBBBCHMKKW-ISKFKSNPSA-N 2 1 379.548 3.658 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)c(C)n2n1 ZINC000093404955 901544011 /nfs/dbraw/zinc/54/40/11/901544011.db2.gz QNCGXMQCXTUMFF-GHTZIAJQSA-N 2 1 377.536 3.561 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)c(C)n2n1 ZINC000093404955 901544019 /nfs/dbraw/zinc/54/40/19/901544019.db2.gz QNCGXMQCXTUMFF-GHTZIAJQSA-N 2 1 377.536 3.561 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000123953861 902002846 /nfs/dbraw/zinc/00/28/46/902002846.db2.gz VAPLALNNGDEEJY-KRWDZBQOSA-N 2 1 389.565 3.751 20 0 GHADMP COc1ccc([C@@H](CO)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000576584471 902109629 /nfs/dbraw/zinc/10/96/29/902109629.db2.gz PEKMCJQTQXMDPG-YADHBBJMSA-N 2 1 380.532 3.558 20 0 GHADMP COc1ccc([C@@H](CO)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000576584471 902109637 /nfs/dbraw/zinc/10/96/37/902109637.db2.gz PEKMCJQTQXMDPG-YADHBBJMSA-N 2 1 380.532 3.558 20 0 GHADMP CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000576675289 902181057 /nfs/dbraw/zinc/18/10/57/902181057.db2.gz NLMXLSWSYSWNCT-XXBNENTESA-N 2 1 394.563 3.634 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000577297349 902658750 /nfs/dbraw/zinc/65/87/50/902658750.db2.gz DAPUFTIGGDKEAO-XXBNENTESA-N 2 1 377.532 3.675 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3cc[nH]c31)CC2 ZINC001144712192 902685572 /nfs/dbraw/zinc/68/55/72/902685572.db2.gz NSLDNWKUKOXUKX-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000779006683 902747347 /nfs/dbraw/zinc/74/73/47/902747347.db2.gz VBTJHJLWALGYFH-VXKWHMMOSA-N 2 1 399.579 3.996 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577489588 902816826 /nfs/dbraw/zinc/81/68/26/902816826.db2.gz YHGPIWBOUYRISO-JXFKEZNVSA-N 2 1 395.950 3.887 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577602193 902937763 /nfs/dbraw/zinc/93/77/63/902937763.db2.gz CRRWNQVNJDZENC-JOCHJYFZSA-N 2 1 392.547 3.755 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000600997152 903206849 /nfs/dbraw/zinc/20/68/49/903206849.db2.gz UWNLKYDSDITYJQ-SFTDATJTSA-N 2 1 383.580 3.548 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ncco2)ccc1C ZINC000133845256 903430826 /nfs/dbraw/zinc/43/08/26/903430826.db2.gz POILACJMMCZDPT-LJQANCHMSA-N 2 1 399.539 3.530 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000779043617 903437685 /nfs/dbraw/zinc/43/76/85/903437685.db2.gz ONTLBAMHFCOGDC-ROUUACIJSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000779043617 903437694 /nfs/dbraw/zinc/43/76/94/903437694.db2.gz ONTLBAMHFCOGDC-ROUUACIJSA-N 2 1 393.597 3.949 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000578006911 903439624 /nfs/dbraw/zinc/43/96/24/903439624.db2.gz XFJTZFRUICQOHW-WOJBJXKFSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000578006911 903439631 /nfs/dbraw/zinc/43/96/31/903439631.db2.gz XFJTZFRUICQOHW-WOJBJXKFSA-N 2 1 388.577 3.606 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000578127560 903543166 /nfs/dbraw/zinc/54/31/66/903543166.db2.gz DITUJXJYIODGPA-GQIGUUNPSA-N 2 1 394.968 3.814 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)[C@@H]1c1cccs1 ZINC000578127560 903543177 /nfs/dbraw/zinc/54/31/77/903543177.db2.gz DITUJXJYIODGPA-GQIGUUNPSA-N 2 1 394.968 3.814 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147594 903703149 /nfs/dbraw/zinc/70/31/49/903703149.db2.gz RSMCLOWTJLNKNU-RTWAWAEBSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147594 903703163 /nfs/dbraw/zinc/70/31/63/903703163.db2.gz RSMCLOWTJLNKNU-RTWAWAEBSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001147147594 903703171 /nfs/dbraw/zinc/70/31/71/903703171.db2.gz RSMCLOWTJLNKNU-RTWAWAEBSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccccc2OCc2ccncc2)C[C@H](C)O1 ZINC000578457469 903860661 /nfs/dbraw/zinc/86/06/61/903860661.db2.gz VMHVWWNWTSEQBC-BGYRXZFFSA-N 2 1 383.536 3.640 20 0 GHADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000578540832 903944396 /nfs/dbraw/zinc/94/43/96/903944396.db2.gz MMCFCKFIKGZOAH-UHFFFAOYSA-N 2 1 395.551 3.529 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)NC1CC([NH+]2CCCCC2)C1 ZINC000578568278 903969763 /nfs/dbraw/zinc/96/97/63/903969763.db2.gz SONIWXBGAHVJPK-UVKLAMSESA-N 2 1 398.595 3.605 20 0 GHADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578623228 904012382 /nfs/dbraw/zinc/01/23/82/904012382.db2.gz RTKFHXCRLNOERS-DNVCBOLYSA-N 2 1 398.378 3.982 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000578927761 904231718 /nfs/dbraw/zinc/23/17/18/904231718.db2.gz LNELNXYUOBGAEL-SCTDSRPQSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000578927761 904231732 /nfs/dbraw/zinc/23/17/32/904231732.db2.gz LNELNXYUOBGAEL-SCTDSRPQSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000578927761 904231746 /nfs/dbraw/zinc/23/17/46/904231746.db2.gz LNELNXYUOBGAEL-SCTDSRPQSA-N 2 1 380.602 3.551 20 0 GHADMP COc1ccc(C2([NH3+])CC[NH+]([C@H]3CCc4cc(F)c(F)c(F)c4C3)CC2)cc1 ZINC001171522208 904799353 /nfs/dbraw/zinc/79/93/53/904799353.db2.gz BWZTZKUKIFPBJI-INIZCTEOSA-N 2 1 390.449 3.920 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC3CCC(F)(F)CC3)CC2)CC1 ZINC000890058977 904891082 /nfs/dbraw/zinc/89/10/82/904891082.db2.gz ZRAKFKKFQQZGOJ-UHFFFAOYSA-N 2 1 385.543 3.515 20 0 GHADMP COc1cccc(C[NH+]2CCC(N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171732780 904959676 /nfs/dbraw/zinc/95/96/76/904959676.db2.gz FHWBCOURDQULMU-HYBUGGRVSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(C[NH+]2CCC(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171732780 904959684 /nfs/dbraw/zinc/95/96/84/904959684.db2.gz FHWBCOURDQULMU-HYBUGGRVSA-N 2 1 393.575 3.912 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@@H]1C[C@H](C)[NH+](Cc3ccccc3)C1)[C@@H]2C ZINC001171753054 904982405 /nfs/dbraw/zinc/98/24/05/904982405.db2.gz SPWYVEDFDVRFLW-TUNNFDKTSA-N 2 1 395.595 3.763 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)[C@@H]2C ZINC001171753054 904982412 /nfs/dbraw/zinc/98/24/12/904982412.db2.gz SPWYVEDFDVRFLW-TUNNFDKTSA-N 2 1 395.595 3.763 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)[C@@H]2C ZINC001171753054 904982418 /nfs/dbraw/zinc/98/24/18/904982418.db2.gz SPWYVEDFDVRFLW-TUNNFDKTSA-N 2 1 395.595 3.763 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171753954 904985959 /nfs/dbraw/zinc/98/59/59/904985959.db2.gz YUWQWAZIVBVSHY-PSWRPDDJSA-N 2 1 381.589 3.775 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171753954 904985968 /nfs/dbraw/zinc/98/59/68/904985968.db2.gz YUWQWAZIVBVSHY-PSWRPDDJSA-N 2 1 381.589 3.775 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171753954 904985974 /nfs/dbraw/zinc/98/59/74/904985974.db2.gz YUWQWAZIVBVSHY-PSWRPDDJSA-N 2 1 381.589 3.775 20 0 GHADMP CO[C@H](C[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001171759140 904992572 /nfs/dbraw/zinc/99/25/72/904992572.db2.gz HFIQDKINYVEIHW-NQHRYMMQSA-N 2 1 393.575 3.655 20 0 GHADMP CO[C@H](C[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001171759140 904992587 /nfs/dbraw/zinc/99/25/87/904992587.db2.gz HFIQDKINYVEIHW-NQHRYMMQSA-N 2 1 393.575 3.655 20 0 GHADMP C[C@@H]1C[C@H](N2CCC[NH+](Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171761813 904997038 /nfs/dbraw/zinc/99/70/38/904997038.db2.gz GAXPYVADEWHUDP-YKSBVNFPSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@@H]1C[C@H](N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C[NH+]1Cc1ccccc1 ZINC001171761813 904997047 /nfs/dbraw/zinc/99/70/47/904997047.db2.gz GAXPYVADEWHUDP-YKSBVNFPSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@@H]1C[C@H](N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C[NH+]1Cc1ccccc1 ZINC001171761813 904997052 /nfs/dbraw/zinc/99/70/52/904997052.db2.gz GAXPYVADEWHUDP-YKSBVNFPSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742658 905032452 /nfs/dbraw/zinc/03/24/52/905032452.db2.gz YAZNHBLXZOWUAX-RXOYHEDQSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171742658 905032470 /nfs/dbraw/zinc/03/24/70/905032470.db2.gz YAZNHBLXZOWUAX-RXOYHEDQSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171742658 905032487 /nfs/dbraw/zinc/03/24/87/905032487.db2.gz YAZNHBLXZOWUAX-RXOYHEDQSA-N 2 1 378.564 3.817 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000290927655 914875017 /nfs/dbraw/zinc/87/50/17/914875017.db2.gz OOHKHDPVBIHSPQ-YLJYHZDGSA-N 2 1 388.943 3.607 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000290927655 914875034 /nfs/dbraw/zinc/87/50/34/914875034.db2.gz OOHKHDPVBIHSPQ-YLJYHZDGSA-N 2 1 388.943 3.607 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001171935800 905191320 /nfs/dbraw/zinc/19/13/20/905191320.db2.gz LFBDHLBGOVGKBF-SVNWRMHYSA-N 2 1 384.564 3.999 20 0 GHADMP CC1(C)C[C@@H](N2CC[NH+](Cc3cccc(N)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171989823 905202189 /nfs/dbraw/zinc/20/21/89/905202189.db2.gz HBFKKLFYCKYYPT-DEOSSOPVSA-N 2 1 392.591 3.830 20 0 GHADMP CC(C)(C)[C@@H](CN1C(=O)CCC1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974972 905220612 /nfs/dbraw/zinc/22/06/12/905220612.db2.gz BKCYRVLTRMVYMN-VQTJNVASSA-N 2 1 399.579 3.583 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CCN(Cc3cccnc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981439 905234281 /nfs/dbraw/zinc/23/42/81/905234281.db2.gz XYLXYBPFFSWSIN-PKTZIBPZSA-N 2 1 378.564 3.689 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171981683 905235817 /nfs/dbraw/zinc/23/58/17/905235817.db2.gz ZWUOCPSEFRNXDO-SFHVURJKSA-N 2 1 380.458 3.978 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC001171981683 905235833 /nfs/dbraw/zinc/23/58/33/905235833.db2.gz ZWUOCPSEFRNXDO-SFHVURJKSA-N 2 1 380.458 3.978 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC3(CN(c4ccccc4)C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171986219 905245738 /nfs/dbraw/zinc/24/57/38/905245738.db2.gz FVUPTYOXNHJTBU-QFIPXVFZSA-N 2 1 389.543 3.778 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC3(CN(c4ccccc4)C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171986219 905245752 /nfs/dbraw/zinc/24/57/52/905245752.db2.gz FVUPTYOXNHJTBU-QFIPXVFZSA-N 2 1 389.543 3.778 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986992 905248112 /nfs/dbraw/zinc/24/81/12/905248112.db2.gz OHGFYNVEZIIMDV-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986992 905248124 /nfs/dbraw/zinc/24/81/24/905248124.db2.gz OHGFYNVEZIIMDV-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986992 905248136 /nfs/dbraw/zinc/24/81/36/905248136.db2.gz OHGFYNVEZIIMDV-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986992 905248147 /nfs/dbraw/zinc/24/81/47/905248147.db2.gz OHGFYNVEZIIMDV-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@@H]2C)C1=O ZINC001172072613 905278995 /nfs/dbraw/zinc/27/89/95/905278995.db2.gz PSIFNSDPADZRHQ-BRGVPEGFSA-N 2 1 395.591 3.762 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@@H]2C)C1=O ZINC001172072613 905279011 /nfs/dbraw/zinc/27/90/11/905279011.db2.gz PSIFNSDPADZRHQ-BRGVPEGFSA-N 2 1 395.591 3.762 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@@H]2C)C1=O ZINC001172072613 905279024 /nfs/dbraw/zinc/27/90/24/905279024.db2.gz PSIFNSDPADZRHQ-BRGVPEGFSA-N 2 1 395.591 3.762 20 0 GHADMP CN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072714 905279092 /nfs/dbraw/zinc/27/90/92/905279092.db2.gz PVDWPAPWVKUSHN-JTOYRKQZSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@]2(CC1=O)CCCC[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072714 905279107 /nfs/dbraw/zinc/27/91/07/905279107.db2.gz PVDWPAPWVKUSHN-JTOYRKQZSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@]2(CC1=O)CCCC[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072714 905279119 /nfs/dbraw/zinc/27/91/19/905279119.db2.gz PVDWPAPWVKUSHN-JTOYRKQZSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@]2(CC1=O)CCCC[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072714 905279132 /nfs/dbraw/zinc/27/91/32/905279132.db2.gz PVDWPAPWVKUSHN-JTOYRKQZSA-N 2 1 381.564 3.659 20 0 GHADMP [NH3+]C[C@@H]1COc2ccccc2N1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075279 905284900 /nfs/dbraw/zinc/28/49/00/905284900.db2.gz DOHRGUJXTZKEST-CLAROIROSA-N 2 1 377.532 3.798 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCCN(c4ncccn4)CC2)C3)cc1 ZINC001172075924 905287163 /nfs/dbraw/zinc/28/71/63/905287163.db2.gz UPXIQXXOWLHRFM-NUNAXRQHSA-N 2 1 391.563 3.574 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CCCN(c4ncccn4)CC2)C3)cc1 ZINC001172075924 905287172 /nfs/dbraw/zinc/28/71/72/905287172.db2.gz UPXIQXXOWLHRFM-NUNAXRQHSA-N 2 1 391.563 3.574 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CCCN(c4ncccn4)CC2)C3)cc1 ZINC001172075924 905287183 /nfs/dbraw/zinc/28/71/83/905287183.db2.gz UPXIQXXOWLHRFM-NUNAXRQHSA-N 2 1 391.563 3.574 20 0 GHADMP CC[NH+](CC)CCN1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076567 905287465 /nfs/dbraw/zinc/28/74/65/905287465.db2.gz FZIISOKTNCWIQJ-QEIWAGNOSA-N 2 1 398.639 3.532 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@]13CCC[C@H]1CN(C(=O)OC(C)(C)C)C3)C2 ZINC001172101134 905293729 /nfs/dbraw/zinc/29/37/29/905293729.db2.gz WFDPRIAYIFAJBT-QUXXCFOZSA-N 2 1 377.573 3.629 20 0 GHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172083720 905295083 /nfs/dbraw/zinc/29/50/83/905295083.db2.gz QWHKORSSNPEHTN-NVNANWAMSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172083720 905295101 /nfs/dbraw/zinc/29/51/01/905295101.db2.gz QWHKORSSNPEHTN-NVNANWAMSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172083720 905295120 /nfs/dbraw/zinc/29/51/20/905295120.db2.gz QWHKORSSNPEHTN-NVNANWAMSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172083720 905295138 /nfs/dbraw/zinc/29/51/38/905295138.db2.gz QWHKORSSNPEHTN-NVNANWAMSA-N 2 1 382.548 3.846 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC(Oc4ccncn4)CC2)C3)cc1 ZINC001172091042 905313252 /nfs/dbraw/zinc/31/32/52/905313252.db2.gz ZUBLGENJWDQVCJ-ZBYYUNFXSA-N 2 1 392.547 3.906 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@]1(F)CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100128 905321835 /nfs/dbraw/zinc/32/18/35/905321835.db2.gz PHJMIEYWCMHNKU-NYUBLWNDSA-N 2 1 383.552 3.721 20 0 GHADMP Nc1ccc([C@H](CCO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172068106 905333905 /nfs/dbraw/zinc/33/39/05/905333905.db2.gz SVDMKQWLNKECBW-KIHHCIJBSA-N 2 1 379.548 3.868 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3nnc(-c4cccc(F)c4)n3c1)C2 ZINC001172110615 905358279 /nfs/dbraw/zinc/35/82/79/905358279.db2.gz KYFFDQHUEVNKMO-ACDBMABISA-N 2 1 379.483 3.640 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172112552 905359715 /nfs/dbraw/zinc/35/97/15/905359715.db2.gz XMBFABKETRJGSO-VDHDWPQNSA-N 2 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172112552 905359730 /nfs/dbraw/zinc/35/97/30/905359730.db2.gz XMBFABKETRJGSO-VDHDWPQNSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172112552 905359749 /nfs/dbraw/zinc/35/97/49/905359749.db2.gz XMBFABKETRJGSO-VDHDWPQNSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172112552 905359767 /nfs/dbraw/zinc/35/97/67/905359767.db2.gz XMBFABKETRJGSO-VDHDWPQNSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172112552 905359787 /nfs/dbraw/zinc/35/97/87/905359787.db2.gz XMBFABKETRJGSO-VDHDWPQNSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c1 ZINC001172112551 905360679 /nfs/dbraw/zinc/36/06/79/905360679.db2.gz XMBFABKETRJGSO-DTUBNOLGSA-N 2 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172112551 905360694 /nfs/dbraw/zinc/36/06/94/905360694.db2.gz XMBFABKETRJGSO-DTUBNOLGSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)c1 ZINC001172112551 905360710 /nfs/dbraw/zinc/36/07/10/905360710.db2.gz XMBFABKETRJGSO-DTUBNOLGSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC001172112551 905360720 /nfs/dbraw/zinc/36/07/20/905360720.db2.gz XMBFABKETRJGSO-DTUBNOLGSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1cccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC001172112551 905360732 /nfs/dbraw/zinc/36/07/32/905360732.db2.gz XMBFABKETRJGSO-DTUBNOLGSA-N 3 1 399.579 3.560 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C(F)(F)F ZINC001172115952 905366535 /nfs/dbraw/zinc/36/65/35/905366535.db2.gz WNUXLGYEOUWFES-BJWYYQGGSA-N 2 1 386.458 3.836 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001172328663 905493005 /nfs/dbraw/zinc/49/30/05/905493005.db2.gz FXGVBMDMJKMGNY-ZDRNMDQLSA-N 2 1 396.616 3.560 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175425989 905562775 /nfs/dbraw/zinc/56/27/75/905562775.db2.gz ONNTTXBPOZDDQF-GHTZIAJQSA-N 2 1 386.584 3.602 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001172609692 905668607 /nfs/dbraw/zinc/66/86/07/905668607.db2.gz RHHSLQARGUYDHW-PBHICJAKSA-N 2 1 384.442 3.687 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001172626110 905731335 /nfs/dbraw/zinc/73/13/35/905731335.db2.gz ZDQVCFGGGCTNPR-YLJYHZDGSA-N 2 1 378.944 3.968 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001172626110 905731343 /nfs/dbraw/zinc/73/13/43/905731343.db2.gz ZDQVCFGGGCTNPR-YLJYHZDGSA-N 2 1 378.944 3.968 20 0 GHADMP CC1([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001172677656 905758748 /nfs/dbraw/zinc/75/87/48/905758748.db2.gz AQAQPFJDXSYNDT-QHCPKHFHSA-N 2 1 391.559 3.822 20 0 GHADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001172752312 905768017 /nfs/dbraw/zinc/76/80/17/905768017.db2.gz PWSQMGWGTKGXBG-GOSISDBHSA-N 2 1 394.581 3.535 20 0 GHADMP CC(C)OC(=O)CC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001172752312 905768027 /nfs/dbraw/zinc/76/80/27/905768027.db2.gz PWSQMGWGTKGXBG-GOSISDBHSA-N 2 1 394.581 3.535 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001172807405 905838925 /nfs/dbraw/zinc/83/89/25/905838925.db2.gz MYEOFVUNLGZZCL-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1 ZINC001172807405 905838938 /nfs/dbraw/zinc/83/89/38/905838938.db2.gz MYEOFVUNLGZZCL-NQIIRXRSSA-N 2 1 376.516 3.844 20 0 GHADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172887407 905976096 /nfs/dbraw/zinc/97/60/96/905976096.db2.gz MJBHOXSDZLWRMK-INIZCTEOSA-N 2 1 384.524 3.548 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000628168755 905990798 /nfs/dbraw/zinc/99/07/98/905990798.db2.gz GSKZQEMUSUVVPX-TZIWHRDSSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000628168755 905990815 /nfs/dbraw/zinc/99/08/15/905990815.db2.gz GSKZQEMUSUVVPX-TZIWHRDSSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000628168755 905990831 /nfs/dbraw/zinc/99/08/31/905990831.db2.gz GSKZQEMUSUVVPX-TZIWHRDSSA-N 2 1 389.971 3.543 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000628168755 905990847 /nfs/dbraw/zinc/99/08/47/905990847.db2.gz GSKZQEMUSUVVPX-TZIWHRDSSA-N 2 1 389.971 3.543 20 0 GHADMP Cc1cccc(N([C@H](C)CCN(C)C(=O)OC(C)(C)C)C2CC[NH2+]CC2)[nH+]1 ZINC001172969372 906031099 /nfs/dbraw/zinc/03/10/99/906031099.db2.gz XZHNKHSMLAVBIB-QGZVFWFLSA-N 2 1 376.545 3.594 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172959827 906069159 /nfs/dbraw/zinc/06/91/59/906069159.db2.gz SYLMTBPDHFYLQR-SFHVURJKSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173000002 906074783 /nfs/dbraw/zinc/07/47/83/906074783.db2.gz WSMISDLPHCSUNC-SFHVURJKSA-N 2 1 383.511 3.527 20 0 GHADMP C[C@H]1CC[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173058047 906133574 /nfs/dbraw/zinc/13/35/74/906133574.db2.gz ALFBEQQUPWRKHD-CGBFIWBNSA-N 2 1 395.588 3.525 20 0 GHADMP CCCOC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CC1 ZINC001173097813 906153596 /nfs/dbraw/zinc/15/35/96/906153596.db2.gz ISNDYHJVSHKBKV-KDWIUMRBSA-N 2 1 388.600 3.794 20 0 GHADMP CCCOC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CC1 ZINC001173097813 906153601 /nfs/dbraw/zinc/15/36/01/906153601.db2.gz ISNDYHJVSHKBKV-KDWIUMRBSA-N 2 1 388.600 3.794 20 0 GHADMP CCCOC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CC1 ZINC001173097813 906153611 /nfs/dbraw/zinc/15/36/11/906153611.db2.gz ISNDYHJVSHKBKV-KDWIUMRBSA-N 2 1 388.600 3.794 20 0 GHADMP CCCOC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CC1 ZINC001173097813 906153618 /nfs/dbraw/zinc/15/36/18/906153618.db2.gz ISNDYHJVSHKBKV-KDWIUMRBSA-N 2 1 388.600 3.794 20 0 GHADMP CC[NH+](CC)C1CCC(n2cc(C[C@](C)([NH3+])C(=O)OC)c3ccccc32)CC1 ZINC001173104432 906190441 /nfs/dbraw/zinc/19/04/41/906190441.db2.gz OSTHOFJMUSWUQF-XWEVFREBSA-N 2 1 385.552 3.900 20 0 GHADMP COc1cccc2c1C[C@@H]([NH+]1CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154204 906240573 /nfs/dbraw/zinc/24/05/73/906240573.db2.gz LEPQULUXLGXDGU-WZONZLPQSA-N 2 1 396.531 3.968 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173155945 906240978 /nfs/dbraw/zinc/24/09/78/906240978.db2.gz DDDCQXAVXDZLAY-UFYCRDLUSA-N 2 1 384.495 3.910 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC[N@H+]1C ZINC000177913536 906242279 /nfs/dbraw/zinc/24/22/79/906242279.db2.gz GOOGQWKXABLLPF-QAPCUYQASA-N 2 1 381.358 3.570 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CO2 ZINC001173159033 906245286 /nfs/dbraw/zinc/24/52/86/906245286.db2.gz BICJGRUKBUWAHH-NRFANRHFSA-N 2 1 392.543 3.987 20 0 GHADMP CCCC[NH+](CCCC)CC[NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001173398832 906426423 /nfs/dbraw/zinc/42/64/23/906426423.db2.gz AIWUYMXKEIHVAK-UHFFFAOYSA-N 2 1 389.584 3.792 20 0 GHADMP [NH3+]CCc1ccc2c(ccn2C2CC[NH+](CC(=O)OCc3ccccc3)CC2)c1 ZINC001173463376 906501715 /nfs/dbraw/zinc/50/17/15/906501715.db2.gz FUVIXTZZOWTPAH-UHFFFAOYSA-N 2 1 391.515 3.523 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173608167 906561796 /nfs/dbraw/zinc/56/17/96/906561796.db2.gz MEELHYJUBMGXDJ-GVAKEYNQSA-N 2 1 385.552 3.666 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](Cn2cc(-c3ccc(C[NH+]4CCC[C@@H]4C)cc3)cn2)C1 ZINC000629702348 906970611 /nfs/dbraw/zinc/97/06/11/906970611.db2.gz LWYNJUYHAXJHEH-CVDCTZTESA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@H](Cn2cc(-c3ccc(C[N@@H+]4CCC[C@@H]4C)cc3)cn2)C1 ZINC000629702348 906970627 /nfs/dbraw/zinc/97/06/27/906970627.db2.gz LWYNJUYHAXJHEH-CVDCTZTESA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@H](Cn2cc(-c3ccc(C[N@H+]4CCC[C@@H]4C)cc3)cn2)C1 ZINC000629702348 906970641 /nfs/dbraw/zinc/97/06/41/906970641.db2.gz LWYNJUYHAXJHEH-CVDCTZTESA-N 2 1 382.552 3.644 20 0 GHADMP C[NH+]1CCC(COc2ccc(Nc3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC001174448444 907053888 /nfs/dbraw/zinc/05/38/88/907053888.db2.gz NKGZMZGIZTVYJA-UHFFFAOYSA-N 2 1 395.547 3.983 20 0 GHADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000182232657 907164142 /nfs/dbraw/zinc/16/41/42/907164142.db2.gz FWVCORNOWHMCFJ-YLJYHZDGSA-N 2 1 384.520 3.511 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CCO1 ZINC001174933802 907301275 /nfs/dbraw/zinc/30/12/75/907301275.db2.gz ODENFZJBRXVLCD-QGZVFWFLSA-N 2 1 388.474 3.907 20 0 GHADMP FC(F)(F)c1cccc(OCCC[NH+]2CCC(N3CCCOCC3)CC2)c1 ZINC001175070732 907366305 /nfs/dbraw/zinc/36/63/05/907366305.db2.gz XOHNMVRJMALPLY-UHFFFAOYSA-N 2 1 386.458 3.661 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCc4ncccc43)C3(C2)CCOCC3)cc1 ZINC000631634901 907784701 /nfs/dbraw/zinc/78/47/01/907784701.db2.gz NWWXAKDUCZVYLP-ZJSXRUAMSA-N 2 1 391.559 3.977 20 0 GHADMP CCC[N@@H+]1CCc2c(N)sc(Nc3cccc(C[NH+]4CCOCC4)c3)c2C1 ZINC001175858036 907800099 /nfs/dbraw/zinc/80/00/99/907800099.db2.gz NUHRIYALDMSTNT-UHFFFAOYSA-N 2 1 386.565 3.674 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3cccc(C[NH+]4CCOCC4)c3)c2C1 ZINC001175858036 907800114 /nfs/dbraw/zinc/80/01/14/907800114.db2.gz NUHRIYALDMSTNT-UHFFFAOYSA-N 2 1 386.565 3.674 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC000631827216 907857253 /nfs/dbraw/zinc/85/72/53/907857253.db2.gz ILJNBOZREYXPQE-MSOLQXFVSA-N 2 1 395.425 3.689 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)[C@H](C)C1 ZINC000186383430 907917160 /nfs/dbraw/zinc/91/71/60/907917160.db2.gz KZMZVUCRDDOBJP-YLJYHZDGSA-N 2 1 376.541 3.558 20 0 GHADMP C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000186629136 907957378 /nfs/dbraw/zinc/95/73/78/907957378.db2.gz MOVITBLSXQPGTL-GAJHUEQPSA-N 2 1 396.510 3.940 20 0 GHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001176282557 908013415 /nfs/dbraw/zinc/01/34/15/908013415.db2.gz XXKMLOPOSIWBIS-INIZCTEOSA-N 2 1 387.911 3.650 20 0 GHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001176282557 908013432 /nfs/dbraw/zinc/01/34/32/908013432.db2.gz XXKMLOPOSIWBIS-INIZCTEOSA-N 2 1 387.911 3.650 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927413 908021516 /nfs/dbraw/zinc/02/15/16/908021516.db2.gz AQKGBOHEQYNGMJ-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000632951334 908164755 /nfs/dbraw/zinc/16/47/55/908164755.db2.gz SWGJDQPUXOVUAC-WIYYLYMNSA-N 2 1 380.536 3.686 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000632951332 908165138 /nfs/dbraw/zinc/16/51/38/908165138.db2.gz SWGJDQPUXOVUAC-NQIIRXRSSA-N 2 1 380.536 3.686 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000633073968 908206852 /nfs/dbraw/zinc/20/68/52/908206852.db2.gz ZBLPDEJEDKLSHX-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP FC(F)(F)CN1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000188507484 908219155 /nfs/dbraw/zinc/21/91/55/908219155.db2.gz UYXDWJIMEXVJAO-UHFFFAOYSA-N 2 1 383.502 3.557 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000801730357 921431633 /nfs/dbraw/zinc/43/16/33/921431633.db2.gz HMQFYENHVMBUMS-DEOSSOPVSA-N 2 1 389.547 3.886 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000801730357 921431635 /nfs/dbraw/zinc/43/16/35/921431635.db2.gz HMQFYENHVMBUMS-DEOSSOPVSA-N 2 1 389.547 3.886 20 0 GHADMP Clc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Br ZINC000192167800 908733050 /nfs/dbraw/zinc/73/30/50/908733050.db2.gz DXGRSCPTBVRJRH-AWEZNQCLSA-N 2 1 387.749 3.693 20 0 GHADMP CC(C)C[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)n1ccnc1 ZINC000635443248 909250565 /nfs/dbraw/zinc/25/05/65/909250565.db2.gz FUSHGUNUFGNROG-QFIPXVFZSA-N 2 1 380.536 3.520 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)C1 ZINC001178916374 909314353 /nfs/dbraw/zinc/31/43/53/909314353.db2.gz FAYCVDPWVUDYLV-CQSZACIVSA-N 2 1 377.330 3.661 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1OC(F)F ZINC001179817292 909748034 /nfs/dbraw/zinc/74/80/34/909748034.db2.gz QAABPBJRTPCIMD-KCPJHIHWSA-N 2 1 389.284 3.789 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1OC(F)F ZINC001179817292 909748044 /nfs/dbraw/zinc/74/80/44/909748044.db2.gz QAABPBJRTPCIMD-KCPJHIHWSA-N 2 1 389.284 3.789 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001180042699 909910121 /nfs/dbraw/zinc/91/01/21/909910121.db2.gz HPRDABUVFJHLKX-WOJBJXKFSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1c2ccsc2CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637895336 909997530 /nfs/dbraw/zinc/99/75/30/909997530.db2.gz LSWVQZIXFOXWOO-QGZVFWFLSA-N 2 1 383.561 3.577 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268779182 910012314 /nfs/dbraw/zinc/01/23/14/910012314.db2.gz HXKYMNSDVKLBSE-GBXCKJPGSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268779182 910012322 /nfs/dbraw/zinc/01/23/22/910012322.db2.gz HXKYMNSDVKLBSE-GBXCKJPGSA-N 2 1 391.559 3.952 20 0 GHADMP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000268815546 910029126 /nfs/dbraw/zinc/02/91/26/910029126.db2.gz MGPWHBDNMWGOJM-IBGZPJMESA-N 2 1 395.547 3.712 20 0 GHADMP [NH3+]C1(CC(=O)NCc2ccc(C(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000638282616 910102518 /nfs/dbraw/zinc/10/25/18/910102518.db2.gz GFUWOYHVTBIMRG-UHFFFAOYSA-N 2 1 387.474 3.624 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638374997 910135805 /nfs/dbraw/zinc/13/58/05/910135805.db2.gz UJOCMJXOJYLOOE-IFMALSPDSA-N 2 1 399.560 3.516 20 0 GHADMP CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638374997 910135811 /nfs/dbraw/zinc/13/58/11/910135811.db2.gz UJOCMJXOJYLOOE-IFMALSPDSA-N 2 1 399.560 3.516 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429108 910136344 /nfs/dbraw/zinc/13/63/44/910136344.db2.gz AWIUDGCVSDHLBN-LDVJMBRRSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429108 910136349 /nfs/dbraw/zinc/13/63/49/910136349.db2.gz AWIUDGCVSDHLBN-LDVJMBRRSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001180429108 910136354 /nfs/dbraw/zinc/13/63/54/910136354.db2.gz AWIUDGCVSDHLBN-LDVJMBRRSA-N 2 1 383.580 3.524 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638637219 910207697 /nfs/dbraw/zinc/20/76/97/910207697.db2.gz OYWKXNJBSPUFAP-NFBKMPQASA-N 2 1 385.596 3.834 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638855678 910253334 /nfs/dbraw/zinc/25/33/34/910253334.db2.gz HHWWZRGYHKRSHM-JTHBVZDNSA-N 2 1 398.572 3.689 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000638855678 910253351 /nfs/dbraw/zinc/25/33/51/910253351.db2.gz HHWWZRGYHKRSHM-JTHBVZDNSA-N 2 1 398.572 3.689 20 0 GHADMP c1ccc([C@@H]2C[C@@H](NCC3([NH+]4CCCCC4)CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638865260 910257678 /nfs/dbraw/zinc/25/76/78/910257678.db2.gz YQSKGRJUSKMWBK-UPVQGACJSA-N 2 1 397.607 3.979 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)CC[N@H+]1C ZINC000638949169 910282763 /nfs/dbraw/zinc/28/27/63/910282763.db2.gz YROTWGYWMABMIM-XMSQKQJNSA-N 2 1 375.520 3.566 20 0 GHADMP O=C1[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCN1c1cccnc1 ZINC000639038588 910295091 /nfs/dbraw/zinc/29/50/91/910295091.db2.gz LQDLXZKRQPOTDE-PMOQBDJRSA-N 2 1 390.531 3.535 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)ccc2oc1=O ZINC000639353410 910397049 /nfs/dbraw/zinc/39/70/49/910397049.db2.gz SDBQLPRTJXTURI-UYAOXDASSA-N 2 1 377.488 3.589 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)ccc2oc1=O ZINC000639353410 910397061 /nfs/dbraw/zinc/39/70/61/910397061.db2.gz SDBQLPRTJXTURI-UYAOXDASSA-N 2 1 377.488 3.589 20 0 GHADMP c1c2c(sc1-c1nnc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)o1)CCCC2 ZINC000639682271 910612280 /nfs/dbraw/zinc/61/22/80/910612280.db2.gz QJVOYLSLRKMVLD-UHFFFAOYSA-N 2 1 395.532 3.784 20 0 GHADMP c1c2c(sc1-c1nnc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)o1)CCCC2 ZINC000639682271 910612290 /nfs/dbraw/zinc/61/22/90/910612290.db2.gz QJVOYLSLRKMVLD-UHFFFAOYSA-N 2 1 395.532 3.784 20 0 GHADMP COc1cc(-c2nc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cs2)ccc1O ZINC000639704278 910620637 /nfs/dbraw/zinc/62/06/37/910620637.db2.gz PQYOWAAQPXTJKQ-UHFFFAOYSA-N 2 1 396.516 3.632 20 0 GHADMP COc1cc(-c2nc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cs2)ccc1O ZINC000639704278 910620650 /nfs/dbraw/zinc/62/06/50/910620650.db2.gz PQYOWAAQPXTJKQ-UHFFFAOYSA-N 2 1 396.516 3.632 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001181244131 910625595 /nfs/dbraw/zinc/62/55/95/910625595.db2.gz NATYMAWXTAOANA-XLIONFOSSA-N 2 1 378.582 3.613 20 0 GHADMP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OCc1cccnc1 ZINC000271039951 910766105 /nfs/dbraw/zinc/76/61/05/910766105.db2.gz MIBMLQFQQYJZGP-UHFFFAOYSA-N 2 1 383.536 3.974 20 0 GHADMP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OCc1cccnc1 ZINC000271039951 910766111 /nfs/dbraw/zinc/76/61/11/910766111.db2.gz MIBMLQFQQYJZGP-UHFFFAOYSA-N 2 1 383.536 3.974 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000640607917 911084864 /nfs/dbraw/zinc/08/48/64/911084864.db2.gz DOATXHIHJAQFPG-GCJKJVERSA-N 2 1 395.551 3.660 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000640607917 911084885 /nfs/dbraw/zinc/08/48/85/911084885.db2.gz DOATXHIHJAQFPG-GCJKJVERSA-N 2 1 395.551 3.660 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC001182423918 911613762 /nfs/dbraw/zinc/61/37/62/911613762.db2.gz LELPSFLQQDFXTA-GDKQOWJMSA-N 2 1 382.548 3.889 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC001182423918 911613768 /nfs/dbraw/zinc/61/37/68/911613768.db2.gz LELPSFLQQDFXTA-GDKQOWJMSA-N 2 1 382.548 3.889 20 0 GHADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000774301040 911617169 /nfs/dbraw/zinc/61/71/69/911617169.db2.gz GTFFQQRCLXHJHK-UXDRXVOSSA-N 2 1 388.531 3.676 20 0 GHADMP C[C@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000774301040 911617178 /nfs/dbraw/zinc/61/71/78/911617178.db2.gz GTFFQQRCLXHJHK-UXDRXVOSSA-N 2 1 388.531 3.676 20 0 GHADMP C[C@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000774301040 911617182 /nfs/dbraw/zinc/61/71/82/911617182.db2.gz GTFFQQRCLXHJHK-UXDRXVOSSA-N 2 1 388.531 3.676 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@H](n3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182471466 911789367 /nfs/dbraw/zinc/78/93/67/911789367.db2.gz XZZLKOLNAYVUKO-GMAHTHKFSA-N 2 1 381.568 3.853 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC(Cn3cnnc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182753340 912003497 /nfs/dbraw/zinc/00/34/97/912003497.db2.gz HFHXRCQSWJEAIT-DEOSSOPVSA-N 2 1 395.595 3.929 20 0 GHADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248552628 912208517 /nfs/dbraw/zinc/20/85/17/912208517.db2.gz JCRUMKZHCZMBFU-LAUBAEHRSA-N 2 1 376.903 3.966 20 0 GHADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248552628 912208534 /nfs/dbraw/zinc/20/85/34/912208534.db2.gz JCRUMKZHCZMBFU-LAUBAEHRSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248552628 912208556 /nfs/dbraw/zinc/20/85/56/912208556.db2.gz JCRUMKZHCZMBFU-LAUBAEHRSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248552628 912208568 /nfs/dbraw/zinc/20/85/68/912208568.db2.gz JCRUMKZHCZMBFU-LAUBAEHRSA-N 2 1 376.903 3.966 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C[NH+]1C(c1ccccc1)c1ccccc1 ZINC001186949498 914913618 /nfs/dbraw/zinc/91/36/18/914913618.db2.gz UAYKXZOAOVXBBB-QTEQDKRBSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)NC[C@@H]2CC[NH+](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949498 914913622 /nfs/dbraw/zinc/91/36/22/914913622.db2.gz UAYKXZOAOVXBBB-QTEQDKRBSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)NC[C@@H]2CC[NH+](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949498 914913626 /nfs/dbraw/zinc/91/36/26/914913626.db2.gz UAYKXZOAOVXBBB-QTEQDKRBSA-N 2 1 391.559 3.554 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647179448 915074549 /nfs/dbraw/zinc/07/45/49/915074549.db2.gz ZZWHKRCFOFEJAL-HSZRJFAPSA-N 2 1 377.532 3.974 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647179448 915074568 /nfs/dbraw/zinc/07/45/68/915074568.db2.gz ZZWHKRCFOFEJAL-HSZRJFAPSA-N 2 1 377.532 3.974 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647249230 915105177 /nfs/dbraw/zinc/10/51/77/915105177.db2.gz LLDWUMXEKMJIIP-IRLDBZIGSA-N 2 1 388.515 3.587 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647249230 915105180 /nfs/dbraw/zinc/10/51/80/915105180.db2.gz LLDWUMXEKMJIIP-IRLDBZIGSA-N 2 1 388.515 3.587 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+](C4CC4)C4CC[NH2+]CC4)cc3)nc12 ZINC000647482660 915296790 /nfs/dbraw/zinc/29/67/90/915296790.db2.gz WSDIZBXFORVLEC-UHFFFAOYSA-N 2 1 390.531 3.938 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000647900740 915431147 /nfs/dbraw/zinc/43/11/47/915431147.db2.gz FVRRPRCTACKQDP-PKTZIBPZSA-N 2 1 391.559 3.746 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000648168072 915531634 /nfs/dbraw/zinc/53/16/34/915531634.db2.gz RTGQATBLXIRTBU-PLMTUMEDSA-N 2 1 385.939 3.757 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000543777535 915790043 /nfs/dbraw/zinc/79/00/43/915790043.db2.gz XRIAQKUPYBSKRI-ZJSXRUAMSA-N 2 1 380.532 3.819 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000648734555 915843046 /nfs/dbraw/zinc/84/30/46/915843046.db2.gz QQPZKOIVUKQCBZ-MOPGFXCFSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000648734555 915843051 /nfs/dbraw/zinc/84/30/51/915843051.db2.gz QQPZKOIVUKQCBZ-MOPGFXCFSA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000648859852 915912561 /nfs/dbraw/zinc/91/25/61/915912561.db2.gz KJIMWFVHAQPBJV-PSWRPDDJSA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000648859852 915912571 /nfs/dbraw/zinc/91/25/71/915912571.db2.gz KJIMWFVHAQPBJV-PSWRPDDJSA-N 2 1 394.563 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000648894339 915927862 /nfs/dbraw/zinc/92/78/62/915927862.db2.gz XYYOICRJTKEWDV-AZUAARDMSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000648894339 915927876 /nfs/dbraw/zinc/92/78/76/915927876.db2.gz XYYOICRJTKEWDV-AZUAARDMSA-N 2 1 382.552 3.814 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000649101247 916021627 /nfs/dbraw/zinc/02/16/27/916021627.db2.gz RNMAYNVOPGIISY-RPWUZVMVSA-N 2 1 393.575 3.992 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000649101247 916021647 /nfs/dbraw/zinc/02/16/47/916021647.db2.gz RNMAYNVOPGIISY-RPWUZVMVSA-N 2 1 393.575 3.992 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000649101247 916021664 /nfs/dbraw/zinc/02/16/64/916021664.db2.gz RNMAYNVOPGIISY-RPWUZVMVSA-N 2 1 393.575 3.992 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000649336757 916104449 /nfs/dbraw/zinc/10/44/49/916104449.db2.gz TXIDXVRHLYVTDB-CRAIPNDOSA-N 2 1 385.474 3.722 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000649381553 916131223 /nfs/dbraw/zinc/13/12/23/916131223.db2.gz WKDDSCNZBSPSLK-IBGZPJMESA-N 2 1 393.531 3.690 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000649381553 916131226 /nfs/dbraw/zinc/13/12/26/916131226.db2.gz WKDDSCNZBSPSLK-IBGZPJMESA-N 2 1 393.531 3.690 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000294145582 916610756 /nfs/dbraw/zinc/61/07/56/916610756.db2.gz HSLDMVCXDSBHKP-QGZVFWFLSA-N 2 1 379.504 3.682 20 0 GHADMP CN1c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000775306997 916885327 /nfs/dbraw/zinc/88/53/27/916885327.db2.gz FGLIIEFZUOOCSQ-NRFANRHFSA-N 2 1 377.532 3.597 20 0 GHADMP C[C@@H](NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000650415899 916965413 /nfs/dbraw/zinc/96/54/13/916965413.db2.gz LQGKMFFVQMYCSU-QGZVFWFLSA-N 2 1 388.581 3.646 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1OC(F)F ZINC000650722377 917248696 /nfs/dbraw/zinc/24/86/96/917248696.db2.gz RFDAFSMOAHARGT-JFIYKMOQSA-N 2 1 384.467 3.548 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652073796 917792802 /nfs/dbraw/zinc/79/28/02/917792802.db2.gz QQXWNZSTLSCJHB-JMJGKCIBSA-N 2 1 391.559 3.653 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000652334164 917873947 /nfs/dbraw/zinc/87/39/47/917873947.db2.gz HMOFQPLDYMWPSG-QETWGEEDSA-N 2 1 379.548 3.796 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000652348227 917877045 /nfs/dbraw/zinc/87/70/45/917877045.db2.gz YEWCADDHJFDNLJ-SUMDDJOVSA-N 2 1 386.458 3.693 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001191566554 918074917 /nfs/dbraw/zinc/07/49/17/918074917.db2.gz UMRXIXNMCJSNOT-UHFFFAOYSA-N 2 1 397.376 3.635 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653119479 918131413 /nfs/dbraw/zinc/13/14/13/918131413.db2.gz LEGUPBVDRBXBSX-OALUTQOASA-N 2 1 396.362 3.605 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653149178 918143848 /nfs/dbraw/zinc/14/38/48/918143848.db2.gz ZEBLJJGVKJVNOF-QFBILLFUSA-N 2 1 397.485 3.646 20 0 GHADMP CC[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000364183524 919212984 /nfs/dbraw/zinc/21/29/84/919212984.db2.gz QOUROZQHQQKPIN-HSZRJFAPSA-N 2 1 385.596 3.835 20 0 GHADMP CC[N@@H+]1CCc2nc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)sc2C1 ZINC000365283567 920603731 /nfs/dbraw/zinc/60/37/31/920603731.db2.gz RLQXDZUYIYQZGO-UHFFFAOYSA-N 2 1 384.505 3.581 20 0 GHADMP CC[N@H+]1CCc2nc(NC(=O)c3oc4ccccc4c3C[NH+](C)C)sc2C1 ZINC000365283567 920603737 /nfs/dbraw/zinc/60/37/37/920603737.db2.gz RLQXDZUYIYQZGO-UHFFFAOYSA-N 2 1 384.505 3.581 20 0 GHADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000902333828 922097173 /nfs/dbraw/zinc/09/71/73/922097173.db2.gz OWXCDRZFDXGLDL-TZIWHRDSSA-N 2 1 386.561 3.547 20 0 GHADMP Cc1ccc(-c2csc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2)cc1 ZINC000367544422 922183415 /nfs/dbraw/zinc/18/34/15/922183415.db2.gz LRVQGVCWNWPBMU-HXUWFJFHSA-N 2 1 384.593 3.719 20 0 GHADMP Cc1ccc(-c2csc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2)cc1 ZINC000367544422 922183427 /nfs/dbraw/zinc/18/34/27/922183427.db2.gz LRVQGVCWNWPBMU-HXUWFJFHSA-N 2 1 384.593 3.719 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)C[C@@H]2C1 ZINC000903184184 922839571 /nfs/dbraw/zinc/83/95/71/922839571.db2.gz AZSURXSBDHDXST-RWHWUMCFSA-N 2 1 389.584 3.769 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3Br)C2)C1 ZINC000903460607 923040108 /nfs/dbraw/zinc/04/01/08/923040108.db2.gz FMQQQSKUMULYFW-XPKDYRNWSA-N 2 1 387.749 3.821 20 0 GHADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740556 923242941 /nfs/dbraw/zinc/24/29/41/923242941.db2.gz WSMICYUFBQLJIU-MSYCTHLASA-N 2 1 382.552 3.565 20 0 GHADMP Clc1cccc([C@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000903920253 923399428 /nfs/dbraw/zinc/39/94/28/923399428.db2.gz HQPCTGPXDOEFIR-TZIWHRDSSA-N 2 1 381.911 3.735 20 0 GHADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000676871149 924119398 /nfs/dbraw/zinc/11/93/98/924119398.db2.gz HANFIKRQUQIVJB-CMKODMSKSA-N 2 1 395.547 3.590 20 0 GHADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000676871149 924119402 /nfs/dbraw/zinc/11/94/02/924119402.db2.gz HANFIKRQUQIVJB-CMKODMSKSA-N 2 1 395.547 3.590 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001137280383 924210419 /nfs/dbraw/zinc/21/04/19/924210419.db2.gz QAZRDXFVJJZHDP-YTFSRNRJSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001137280383 924210430 /nfs/dbraw/zinc/21/04/30/924210430.db2.gz QAZRDXFVJJZHDP-YTFSRNRJSA-N 2 1 383.580 3.764 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001137280383 924210442 /nfs/dbraw/zinc/21/04/42/924210442.db2.gz QAZRDXFVJJZHDP-YTFSRNRJSA-N 2 1 383.580 3.764 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1)CC(C)C ZINC000678672891 924880795 /nfs/dbraw/zinc/88/07/95/924880795.db2.gz LAPMKGBQQGEQMB-IBGZPJMESA-N 2 1 380.621 3.506 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)n2)cc1F ZINC000410083093 925302577 /nfs/dbraw/zinc/30/25/77/925302577.db2.gz SBZGWNDJGJOIAL-UXHICEINSA-N 2 1 394.494 3.791 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000680087369 925356268 /nfs/dbraw/zinc/35/62/68/925356268.db2.gz ZQQFTFICQDIEHB-RBZQAINGSA-N 2 1 391.559 3.779 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000680404875 925469713 /nfs/dbraw/zinc/46/97/13/925469713.db2.gz NOPDPJWNNQAHNJ-BBTUJRGHSA-N 2 1 391.515 3.863 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000680404875 925469718 /nfs/dbraw/zinc/46/97/18/925469718.db2.gz NOPDPJWNNQAHNJ-BBTUJRGHSA-N 2 1 391.515 3.863 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000410357100 925558050 /nfs/dbraw/zinc/55/80/50/925558050.db2.gz ZQGZUDOBEUPTTN-HXUWFJFHSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000410369576 925588699 /nfs/dbraw/zinc/58/86/99/925588699.db2.gz RKTYBQIECAUCED-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000410369576 925588702 /nfs/dbraw/zinc/58/87/02/925588702.db2.gz RKTYBQIECAUCED-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000410369576 925588710 /nfs/dbraw/zinc/58/87/10/925588710.db2.gz RKTYBQIECAUCED-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410389850 925609919 /nfs/dbraw/zinc/60/99/19/925609919.db2.gz DFGGSCOMELNWEE-FQEVSTJZSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000398034206 926486093 /nfs/dbraw/zinc/48/60/93/926486093.db2.gz MKEMQCBVOKGAPY-IEBWSBKVSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000398034206 926486094 /nfs/dbraw/zinc/48/60/94/926486094.db2.gz MKEMQCBVOKGAPY-IEBWSBKVSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000398222352 926487417 /nfs/dbraw/zinc/48/74/17/926487417.db2.gz WNNMTJVJBSEQEK-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411553272 926508633 /nfs/dbraw/zinc/50/86/33/926508633.db2.gz QTKOAXYSAHYVRY-WIYYLYMNSA-N 2 1 376.504 3.779 20 0 GHADMP CCCCc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)s1 ZINC001276220346 927892084 /nfs/dbraw/zinc/89/20/84/927892084.db2.gz NPKVBRVBXLZJET-NRFANRHFSA-N 2 1 377.598 3.609 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000467374653 929011849 /nfs/dbraw/zinc/01/18/49/929011849.db2.gz ZKYHEYMZLMPNPB-NAVOZUGXSA-N 2 1 393.575 3.889 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000467374653 929011860 /nfs/dbraw/zinc/01/18/60/929011860.db2.gz ZKYHEYMZLMPNPB-NAVOZUGXSA-N 2 1 393.575 3.889 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544421421 929158523 /nfs/dbraw/zinc/15/85/23/929158523.db2.gz SVPRLPXTLOKUOO-RTWAWAEBSA-N 2 1 397.607 3.857 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544421421 929158531 /nfs/dbraw/zinc/15/85/31/929158531.db2.gz SVPRLPXTLOKUOO-RTWAWAEBSA-N 2 1 397.607 3.857 20 0 GHADMP c1ccc([C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2cncnc2)cc1 ZINC000544568517 929295256 /nfs/dbraw/zinc/29/52/56/929295256.db2.gz JGMRGJKCHQLTRR-DEOSSOPVSA-N 2 1 388.515 3.830 20 0 GHADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000545875608 929631818 /nfs/dbraw/zinc/63/18/18/929631818.db2.gz SYQPHYZGZLYPIV-HXUWFJFHSA-N 2 1 395.330 3.729 20 0 GHADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000545875608 929631823 /nfs/dbraw/zinc/63/18/23/929631823.db2.gz SYQPHYZGZLYPIV-HXUWFJFHSA-N 2 1 395.330 3.729 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000469481338 929928188 /nfs/dbraw/zinc/92/81/88/929928188.db2.gz GVQOBLYCDFRSLI-MAUKXSAKSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000469481338 929928192 /nfs/dbraw/zinc/92/81/92/929928192.db2.gz GVQOBLYCDFRSLI-MAUKXSAKSA-N 2 1 385.474 3.641 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1CCCCCC1 ZINC000469531987 929970877 /nfs/dbraw/zinc/97/08/77/929970877.db2.gz YFNZNKDFYWMGTR-VQIMIIECSA-N 2 1 397.485 3.660 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000470133698 930397432 /nfs/dbraw/zinc/39/74/32/930397432.db2.gz NMQWXONFMCBNAO-FDHFVPJWSA-N 2 1 392.543 3.618 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000470468447 930642142 /nfs/dbraw/zinc/64/21/42/930642142.db2.gz ZKACJVLXCHVKIK-NRFANRHFSA-N 2 1 388.600 3.801 20 0 GHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000470758000 930888351 /nfs/dbraw/zinc/88/83/51/930888351.db2.gz VEWOQFLEFJDREW-URVUXULASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000470758000 930888355 /nfs/dbraw/zinc/88/83/55/930888355.db2.gz VEWOQFLEFJDREW-URVUXULASA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000470758000 930888360 /nfs/dbraw/zinc/88/83/60/930888360.db2.gz VEWOQFLEFJDREW-URVUXULASA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000781883813 931010588 /nfs/dbraw/zinc/01/05/88/931010588.db2.gz QHFKFVVNMQYOGQ-WOJBJXKFSA-N 2 1 379.589 3.974 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)CC2)[nH+]c1C ZINC000924321849 931323899 /nfs/dbraw/zinc/32/38/99/931323899.db2.gz XRTRXVAKEYKIEZ-JOCHJYFZSA-N 2 1 394.563 3.687 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)[nH+]c1C ZINC000924321849 931323903 /nfs/dbraw/zinc/32/39/03/931323903.db2.gz XRTRXVAKEYKIEZ-JOCHJYFZSA-N 2 1 394.563 3.687 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[N@@H+]1Cc1ccccc1 ZINC000187284712 931379613 /nfs/dbraw/zinc/37/96/13/931379613.db2.gz PFBZOHAJHNWQSW-GCJKJVERSA-N 2 1 377.532 3.738 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[N@H+]1Cc1ccccc1 ZINC000187284712 931379632 /nfs/dbraw/zinc/37/96/32/931379632.db2.gz PFBZOHAJHNWQSW-GCJKJVERSA-N 2 1 377.532 3.738 20 0 GHADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924671017 931469775 /nfs/dbraw/zinc/46/97/75/931469775.db2.gz OLBJYDGSMZZEOU-MBSDFSHPSA-N 2 1 378.520 3.533 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C(C)(C)O)cc1 ZINC000924722034 931515582 /nfs/dbraw/zinc/51/55/82/931515582.db2.gz JXHNHRABHDEACS-IBGZPJMESA-N 2 1 381.564 3.512 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CC2)cs1 ZINC000925572481 931826826 /nfs/dbraw/zinc/82/68/26/931826826.db2.gz JBPWMQABQYIMTO-LEWJYISDSA-N 3 1 390.641 3.675 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000558316554 931937889 /nfs/dbraw/zinc/93/78/89/931937889.db2.gz LLXJFMUAUKAURU-RBBKRZOGSA-N 2 1 388.600 3.517 20 0 GHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000796747341 932052037 /nfs/dbraw/zinc/05/20/37/932052037.db2.gz SENGOIWREUZOGA-YSTOQKLRSA-N 2 1 397.604 3.549 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000796747341 932052044 /nfs/dbraw/zinc/05/20/44/932052044.db2.gz SENGOIWREUZOGA-YSTOQKLRSA-N 2 1 397.604 3.549 20 0 GHADMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc(Cl)n1 ZINC000797592010 932337546 /nfs/dbraw/zinc/33/75/46/932337546.db2.gz KOODGNWFZQMXMU-UHFFFAOYSA-N 2 1 378.992 3.672 20 0 GHADMP CC(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000558975179 932348857 /nfs/dbraw/zinc/34/88/57/932348857.db2.gz KVXCUKFCKNTFTJ-IFTBVCKDSA-N 2 1 389.971 3.854 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1C ZINC000559076324 932416417 /nfs/dbraw/zinc/41/64/17/932416417.db2.gz TYTWNXUMNHXDLG-UHFFFAOYSA-N 2 1 393.575 3.906 20 0 GHADMP CC[C@@H](C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559275839 932572807 /nfs/dbraw/zinc/57/28/07/932572807.db2.gz LGAKGOYIBIHHLV-ZEQRLZLVSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000559275839 932572812 /nfs/dbraw/zinc/57/28/12/932572812.db2.gz LGAKGOYIBIHHLV-ZEQRLZLVSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000559275839 932572818 /nfs/dbraw/zinc/57/28/18/932572818.db2.gz LGAKGOYIBIHHLV-ZEQRLZLVSA-N 2 1 393.575 3.878 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524837 932687869 /nfs/dbraw/zinc/68/78/69/932687869.db2.gz FJDOKSATIDRTAP-VWNXMTODSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524837 932687874 /nfs/dbraw/zinc/68/78/74/932687874.db2.gz FJDOKSATIDRTAP-VWNXMTODSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798524837 932687881 /nfs/dbraw/zinc/68/78/81/932687881.db2.gz FJDOKSATIDRTAP-VWNXMTODSA-N 2 1 379.548 3.708 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000559741438 932829986 /nfs/dbraw/zinc/82/99/86/932829986.db2.gz MEQJIUBGTJOBMQ-PKTZIBPZSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[C@H]1c1ccccc1 ZINC000559741438 932829989 /nfs/dbraw/zinc/82/99/89/932829989.db2.gz MEQJIUBGTJOBMQ-PKTZIBPZSA-N 2 1 377.532 3.734 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)c2C)cc1 ZINC000798957391 932839401 /nfs/dbraw/zinc/83/94/01/932839401.db2.gz VLAHYIBZZDQXJJ-UHFFFAOYSA-N 2 1 396.579 3.865 20 0 GHADMP C[C@H](OC[C@@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178691 932899812 /nfs/dbraw/zinc/89/98/12/932899812.db2.gz DDOONTXFWKZTAM-PXNSSMCTSA-N 2 1 380.960 3.586 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@@H]1Oc1ccccc1 ZINC000560233189 933145562 /nfs/dbraw/zinc/14/55/62/933145562.db2.gz KXRLNQZDJMAYFY-MZYLBHOOSA-N 2 1 380.532 3.589 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000560524743 933310888 /nfs/dbraw/zinc/31/08/88/933310888.db2.gz NCVQGMREPWFRAF-UHFFFAOYSA-N 2 1 387.612 3.909 20 0 GHADMP CCn1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000560535727 933322398 /nfs/dbraw/zinc/32/23/98/933322398.db2.gz DZVVOFZHVPQJGI-DNVJHFABSA-N 2 1 379.548 3.649 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000929486688 933455075 /nfs/dbraw/zinc/45/50/75/933455075.db2.gz WRQSEQXCLCGBBJ-RPBOFIJWSA-N 2 1 396.575 3.705 20 0 GHADMP C[NH+](C)CCCCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000560694532 933467485 /nfs/dbraw/zinc/46/74/85/933467485.db2.gz WUKFRBHFLDIJJP-FQEVSTJZSA-N 2 1 385.577 3.696 20 0 GHADMP C[NH+](C)CCCCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000560694532 933467488 /nfs/dbraw/zinc/46/74/88/933467488.db2.gz WUKFRBHFLDIJJP-FQEVSTJZSA-N 2 1 385.577 3.696 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)cc1F ZINC000560860941 933627808 /nfs/dbraw/zinc/62/78/08/933627808.db2.gz YJKUCGOQUYWVDI-HXUWFJFHSA-N 2 1 397.494 3.775 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1cccc2c1CC[NH2+]C2 ZINC000561043824 933812150 /nfs/dbraw/zinc/81/21/50/933812150.db2.gz AXDPVRZZVTZULQ-HXUWFJFHSA-N 2 1 392.547 3.756 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC001116915065 933826072 /nfs/dbraw/zinc/82/60/72/933826072.db2.gz JYHIRJPDIMIAQF-JOCHJYFZSA-N 2 1 383.580 3.684 20 0 GHADMP CC[N@H+](CCCC1CC[NH+]([C@@H](C)c2ncccn2)CC1)[C@H](C)c1ncccn1 ZINC000930142508 933857480 /nfs/dbraw/zinc/85/74/80/933857480.db2.gz KCWUQFRIPARRPD-MOPGFXCFSA-N 2 1 382.556 3.903 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+]([C@@H](C)c2ncccn2)CC1)[C@H](C)c1ncccn1 ZINC000930142508 933857487 /nfs/dbraw/zinc/85/74/87/933857487.db2.gz KCWUQFRIPARRPD-MOPGFXCFSA-N 2 1 382.556 3.903 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1OC(F)F ZINC001117644826 933969355 /nfs/dbraw/zinc/96/93/55/933969355.db2.gz VRBSCPVEILFNJN-UHFFFAOYSA-N 2 1 375.366 3.916 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OC(F)F)cc1OC(F)F ZINC001117644826 933969366 /nfs/dbraw/zinc/96/93/66/933969366.db2.gz VRBSCPVEILFNJN-UHFFFAOYSA-N 2 1 375.366 3.916 20 0 GHADMP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)c(F)c1 ZINC001118295786 934129716 /nfs/dbraw/zinc/12/97/16/934129716.db2.gz XYPNKEVEOZNHDZ-UHFFFAOYSA-N 2 1 376.325 3.777 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C)C1=CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000561651042 934338544 /nfs/dbraw/zinc/33/85/44/934338544.db2.gz FAXQOCQOWLKCTM-UZLBHIALSA-N 2 1 392.975 3.673 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000561651042 934338552 /nfs/dbraw/zinc/33/85/52/934338552.db2.gz FAXQOCQOWLKCTM-UZLBHIALSA-N 2 1 392.975 3.673 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000561651042 934338561 /nfs/dbraw/zinc/33/85/61/934338561.db2.gz FAXQOCQOWLKCTM-UZLBHIALSA-N 2 1 392.975 3.673 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC001119539595 934366411 /nfs/dbraw/zinc/36/64/11/934366411.db2.gz BGFKANAIOGBTMF-OAHLLOKOSA-N 2 1 378.442 3.703 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2snnc2C)CC1 ZINC001119695998 934383090 /nfs/dbraw/zinc/38/30/90/934383090.db2.gz SFVFHWALWCTURO-KGLIPLIRSA-N 2 1 377.533 3.539 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC001120247720 934449405 /nfs/dbraw/zinc/44/94/05/934449405.db2.gz BCGSMVPGEGZDQH-VLNNBNGDSA-N 2 1 396.575 3.607 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC001120247717 934449510 /nfs/dbraw/zinc/44/95/10/934449510.db2.gz BCGSMVPGEGZDQH-CKOBMMNXSA-N 2 1 396.575 3.607 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001124583952 935419675 /nfs/dbraw/zinc/41/96/75/935419675.db2.gz CZKPIFYQFRMIBT-XMMPIXPASA-N 2 1 391.559 3.811 20 0 GHADMP Clc1ccc2[nH]cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001137709754 935738594 /nfs/dbraw/zinc/73/85/94/935738594.db2.gz DCUOURRYUFQAOO-UHFFFAOYSA-N 2 1 383.927 3.672 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC4CCC([NH+]5CCCCC5)CC4)cc3c2C1 ZINC000829790899 935862450 /nfs/dbraw/zinc/86/24/50/935862450.db2.gz ZFHBGPWRUJXLLH-UHFFFAOYSA-N 2 1 394.563 3.683 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC4CCC([NH+]5CCCCC5)CC4)cc3c2C1 ZINC000829790899 935862454 /nfs/dbraw/zinc/86/24/54/935862454.db2.gz ZFHBGPWRUJXLLH-UHFFFAOYSA-N 2 1 394.563 3.683 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)c4ccccc34)CC2)C1 ZINC001138017937 935930218 /nfs/dbraw/zinc/93/02/18/935930218.db2.gz BJGPQTOUQNRMAV-HXUWFJFHSA-N 2 1 380.532 3.998 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)c4ccccc34)CC2)C1 ZINC001138017937 935930221 /nfs/dbraw/zinc/93/02/21/935930221.db2.gz BJGPQTOUQNRMAV-HXUWFJFHSA-N 2 1 380.532 3.998 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001220751203 1032099431 /nfs/dbraw/zinc/09/94/31/1032099431.db2.gz JRPOSHDQFOPWNB-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001220751203 1032099446 /nfs/dbraw/zinc/09/94/46/1032099446.db2.gz JRPOSHDQFOPWNB-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001220751203 1032099472 /nfs/dbraw/zinc/09/94/72/1032099472.db2.gz JRPOSHDQFOPWNB-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000468425511 1015696410 /nfs/dbraw/zinc/69/64/10/1015696410.db2.gz APJBBLNAQZKPHB-HXUWFJFHSA-N 2 1 388.600 3.792 20 0 GHADMP CCS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000545272201 1015723368 /nfs/dbraw/zinc/72/33/68/1015723368.db2.gz YBNUWFRFOSHDJT-MRXNPFEDSA-N 2 1 383.517 3.825 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2cccc(Br)c2Br)CC1 ZINC001232763800 1038539161 /nfs/dbraw/zinc/53/91/61/1038539161.db2.gz VGNDGEUBYCVEGY-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP Cc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1Br ZINC001235956954 1041464287 /nfs/dbraw/zinc/46/42/87/1041464287.db2.gz IVANKCRSNOIQDN-GFCCVEGCSA-N 2 1 390.163 3.951 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000470972307 1016931986 /nfs/dbraw/zinc/93/19/86/1016931986.db2.gz SQWADMPTJRLQIY-OAHLLOKOSA-N 2 1 384.351 3.986 20 0 GHADMP O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220962256 1032210853 /nfs/dbraw/zinc/21/08/53/1032210853.db2.gz GADPLYGOXVFFSF-OAQYLSRUSA-N 2 1 395.522 3.573 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC001227177698 1032310236 /nfs/dbraw/zinc/31/02/36/1032310236.db2.gz GDXUYSIGOKHFEN-RTWAWAEBSA-N 2 1 392.563 3.580 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)c1ccccc1 ZINC001221248432 1032347348 /nfs/dbraw/zinc/34/73/48/1032347348.db2.gz VZLUZJCKQYENDU-UKILVPOCSA-N 2 1 391.559 3.898 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)c1ccccc1 ZINC001221248432 1032347357 /nfs/dbraw/zinc/34/73/57/1032347357.db2.gz VZLUZJCKQYENDU-UKILVPOCSA-N 2 1 391.559 3.898 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001227435627 1032419248 /nfs/dbraw/zinc/41/92/48/1032419248.db2.gz RUDRIAFHJVVPBQ-VXKWHMMOSA-N 2 1 388.600 3.661 20 0 GHADMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001155247731 1032470904 /nfs/dbraw/zinc/47/09/04/1032470904.db2.gz LCYHIPSLBHXBIB-QGZVFWFLSA-N 2 1 383.499 3.999 20 0 GHADMP c1cc2c(ncnc2NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)s1 ZINC001155359025 1032516914 /nfs/dbraw/zinc/51/69/14/1032516914.db2.gz XHNXGCZZBCCONW-GOSISDBHSA-N 2 1 393.560 3.605 20 0 GHADMP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc(C(C)C)n1 ZINC001155359182 1032518302 /nfs/dbraw/zinc/51/83/02/1032518302.db2.gz XZODBIJNGQZNQP-NRFANRHFSA-N 2 1 393.579 3.822 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4cccnc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363647 1032519861 /nfs/dbraw/zinc/51/98/61/1032519861.db2.gz MQNCNXSMBNYWOX-NRFANRHFSA-N 2 1 387.531 3.544 20 0 GHADMP CSc1cccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155365061 1032520817 /nfs/dbraw/zinc/52/08/17/1032520817.db2.gz ZKCNHBAXNJQTNN-IBGZPJMESA-N 2 1 382.577 3.717 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1nc(N3CCCCC3)cc[nH+]1)CC21CC[NH2+]CC1 ZINC001155436665 1032541854 /nfs/dbraw/zinc/54/18/54/1032541854.db2.gz OXKHVPOYNHMRIM-HXUWFJFHSA-N 2 1 377.536 3.953 20 0 GHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N[C@@H]3CC[NH2+][C@H]3c3ccccc3)C2)cc1 ZINC001155549574 1032577463 /nfs/dbraw/zinc/57/74/63/1032577463.db2.gz MWRGVUYBEVEAMP-GGAORHGYSA-N 2 1 385.515 3.550 20 0 GHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N[C@@H]3CC[NH2+][C@H]3c3ccccc3)C2)cc1 ZINC001155549574 1032577475 /nfs/dbraw/zinc/57/74/75/1032577475.db2.gz MWRGVUYBEVEAMP-GGAORHGYSA-N 2 1 385.515 3.550 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1cc(F)cc(F)c1 ZINC000560277278 1017583252 /nfs/dbraw/zinc/58/32/52/1017583252.db2.gz PFFKQJQBHZXXMX-UHFFFAOYSA-N 2 1 399.485 3.891 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1cc(F)cc(F)c1 ZINC000560277278 1017583266 /nfs/dbraw/zinc/58/32/66/1017583266.db2.gz PFFKQJQBHZXXMX-UHFFFAOYSA-N 2 1 399.485 3.891 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CO[C@H]1CCCc2ccccc21 ZINC000563515173 1018923417 /nfs/dbraw/zinc/92/34/17/1018923417.db2.gz LMSOXBLCOADURV-NOZRDPDXSA-N 2 1 394.559 3.696 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CC12CCOCC2 ZINC000564973392 1019133736 /nfs/dbraw/zinc/13/37/36/1019133736.db2.gz FHGLEWVFLHZCGX-DEOSSOPVSA-N 2 1 378.560 3.775 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168852 1032820456 /nfs/dbraw/zinc/82/04/56/1032820456.db2.gz OVARXBZDJJMCJO-RBUKOAKNSA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168852 1032820471 /nfs/dbraw/zinc/82/04/71/1032820471.db2.gz OVARXBZDJJMCJO-RBUKOAKNSA-N 2 1 394.991 3.895 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC001228168852 1032820493 /nfs/dbraw/zinc/82/04/93/1032820493.db2.gz OVARXBZDJJMCJO-RBUKOAKNSA-N 2 1 394.991 3.895 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000572690497 1019795221 /nfs/dbraw/zinc/79/52/21/1019795221.db2.gz NYGONLASAUTTNC-ZIFCJYIRSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000572690497 1019795232 /nfs/dbraw/zinc/79/52/32/1019795232.db2.gz NYGONLASAUTTNC-ZIFCJYIRSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000572690497 1019795248 /nfs/dbraw/zinc/79/52/48/1019795248.db2.gz NYGONLASAUTTNC-ZIFCJYIRSA-N 2 1 380.602 3.551 20 0 GHADMP COC(=O)COc1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000574931205 1019919588 /nfs/dbraw/zinc/91/95/88/1019919588.db2.gz GEAULOIOXVFRSY-UHFFFAOYSA-N 2 1 396.531 3.771 20 0 GHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1)C1CCOCC1 ZINC000638510756 1021045322 /nfs/dbraw/zinc/04/53/22/1021045322.db2.gz YEYOKTDIURAIFY-UHFFFAOYSA-N 2 1 395.503 3.607 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1)C1CCOCC1 ZINC000638510756 1021045328 /nfs/dbraw/zinc/04/53/28/1021045328.db2.gz YEYOKTDIURAIFY-UHFFFAOYSA-N 2 1 395.503 3.607 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000638608800 1021049162 /nfs/dbraw/zinc/04/91/62/1021049162.db2.gz LOLCOXSWVRJSAU-UTKZUKDTSA-N 2 1 399.485 3.652 20 0 GHADMP CCn1nc(C)c(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000639360953 1021071096 /nfs/dbraw/zinc/07/10/96/1021071096.db2.gz QTTPCAWIOLOVSC-UHFFFAOYSA-N 2 1 383.584 3.682 20 0 GHADMP CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1C ZINC000639360953 1021071106 /nfs/dbraw/zinc/07/11/06/1021071106.db2.gz QTTPCAWIOLOVSC-UHFFFAOYSA-N 2 1 383.584 3.682 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccccc2C[NH2+]C)CC1)CC(C)C ZINC000652288296 1021218522 /nfs/dbraw/zinc/21/85/22/1021218522.db2.gz BTJQLRIWKWACEO-UHFFFAOYSA-N 2 1 388.600 3.696 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834551606 1021267484 /nfs/dbraw/zinc/26/74/84/1021267484.db2.gz HEUZQDPQLKZQSS-VQTJNVASSA-N 2 1 384.524 3.922 20 0 GHADMP Clc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000834586027 1021282830 /nfs/dbraw/zinc/28/28/30/1021282830.db2.gz XTNGBHPOMDLEMQ-BAGYTPMASA-N 2 1 392.971 3.663 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1ccccc1-c1cccnc1)CC2 ZINC001140315032 1021382528 /nfs/dbraw/zinc/38/25/28/1021382528.db2.gz MUVXRDURQWBIOT-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc(N2CCCC2)[nH+]1 ZINC001156313829 1032975178 /nfs/dbraw/zinc/97/51/78/1032975178.db2.gz CUNHQSYVRUCUTL-QHAWAJNXSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH+]1 ZINC001156313829 1032975185 /nfs/dbraw/zinc/97/51/85/1032975185.db2.gz CUNHQSYVRUCUTL-QHAWAJNXSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[nH+]1 ZINC001156313829 1032975187 /nfs/dbraw/zinc/97/51/87/1032975187.db2.gz CUNHQSYVRUCUTL-QHAWAJNXSA-N 2 1 377.536 3.708 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3cccc4c3OCC[C@@H]4[NH+](C)C)c2)CC1 ZINC001204573564 1032979459 /nfs/dbraw/zinc/97/94/59/1032979459.db2.gz BMIPCXDVTYRBRI-QFIPXVFZSA-N 2 1 380.536 3.563 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ccc(C[NH+]5CCCC5)cn4)[C@H]3C2)cc1 ZINC001156317727 1032980655 /nfs/dbraw/zinc/98/06/55/1032980655.db2.gz NDTAITLZLTZVQA-VABKMULXSA-N 2 1 376.548 4.000 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000834769327 1021457072 /nfs/dbraw/zinc/45/70/72/1021457072.db2.gz KMHWRZHLWNZORB-ICSRJNTNSA-N 2 1 384.524 3.693 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@H]21 ZINC001140387826 1021541651 /nfs/dbraw/zinc/54/16/51/1021541651.db2.gz UXMCNTBNQAXRTR-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@H]21 ZINC001140387826 1021541655 /nfs/dbraw/zinc/54/16/55/1021541655.db2.gz UXMCNTBNQAXRTR-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4n[nH]cc4c3)C[C@H]21 ZINC001140387826 1021541657 /nfs/dbraw/zinc/54/16/57/1021541657.db2.gz UXMCNTBNQAXRTR-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4n[nH]cc4c3)C[C@H]21 ZINC001140387826 1021541659 /nfs/dbraw/zinc/54/16/59/1021541659.db2.gz UXMCNTBNQAXRTR-JMUQELJHSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@H]21 ZINC001140387830 1021541929 /nfs/dbraw/zinc/54/19/29/1021541929.db2.gz UXMCNTBNQAXRTR-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4n[nH]cc4c3)C[C@H]21 ZINC001140387830 1021541944 /nfs/dbraw/zinc/54/19/44/1021541944.db2.gz UXMCNTBNQAXRTR-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4n[nH]cc4c3)C[C@H]21 ZINC001140387830 1021541955 /nfs/dbraw/zinc/54/19/55/1021541955.db2.gz UXMCNTBNQAXRTR-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4n[nH]cc4c3)C[C@H]21 ZINC001140387830 1021541964 /nfs/dbraw/zinc/54/19/64/1021541964.db2.gz UXMCNTBNQAXRTR-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC001137315540 1021893539 /nfs/dbraw/zinc/89/35/39/1021893539.db2.gz DLBMUVBZKJMEPK-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000678771228 1021924709 /nfs/dbraw/zinc/92/47/09/1021924709.db2.gz LQTGUJKNFXOZJK-OUOWLKGYSA-N 2 1 391.559 3.797 20 0 GHADMP Brc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[C@@H]2CCCO2)cc1 ZINC000679331697 1021988317 /nfs/dbraw/zinc/98/83/17/1021988317.db2.gz MVRZKJSOQVUXOB-CCKFTAQKSA-N 2 1 379.342 3.743 20 0 GHADMP Brc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[C@@H]2CCCO2)cc1 ZINC000679331697 1021988319 /nfs/dbraw/zinc/98/83/19/1021988319.db2.gz MVRZKJSOQVUXOB-CCKFTAQKSA-N 2 1 379.342 3.743 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000679584064 1022018928 /nfs/dbraw/zinc/01/89/28/1022018928.db2.gz ZXOIDWUCPDCJRQ-UHFFFAOYSA-N 2 1 394.515 3.688 20 0 GHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccnc(OCC[NH+](C)C)c3)c2C1 ZINC000679724245 1022045660 /nfs/dbraw/zinc/04/56/60/1022045660.db2.gz SDPRZEZSOAHMSM-UHFFFAOYSA-N 2 1 396.535 3.636 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc(C)c1O ZINC001140655250 1022182930 /nfs/dbraw/zinc/18/29/30/1022182930.db2.gz DQOQYULVHJDJJY-UHFFFAOYSA-N 2 1 386.561 3.938 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc(C)c1O ZINC001140655250 1022182938 /nfs/dbraw/zinc/18/29/38/1022182938.db2.gz DQOQYULVHJDJJY-UHFFFAOYSA-N 2 1 386.561 3.938 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390836918 1022377935 /nfs/dbraw/zinc/37/79/35/1022377935.db2.gz ABSAUNXHJFRYGX-VQTJNVASSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390836918 1022377953 /nfs/dbraw/zinc/37/79/53/1022377953.db2.gz ABSAUNXHJFRYGX-VQTJNVASSA-N 2 1 387.568 3.886 20 0 GHADMP Brc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1-n1ccnc1 ZINC001204743013 1033059598 /nfs/dbraw/zinc/05/95/98/1033059598.db2.gz XHGDUOOMGXCUSM-UHFFFAOYSA-N 2 1 389.341 3.600 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccc(OCC[NH+]4CCCC4)cc3)cc2)CC1 ZINC001204747414 1033063558 /nfs/dbraw/zinc/06/35/58/1033063558.db2.gz VHJYUYMELYGGPZ-UHFFFAOYSA-N 2 1 394.563 3.652 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]21 ZINC001140801114 1022570538 /nfs/dbraw/zinc/57/05/38/1022570538.db2.gz HFJNGRNPJPTODO-BEFAXECRSA-N 2 1 387.462 3.874 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]21 ZINC001140801114 1022570547 /nfs/dbraw/zinc/57/05/47/1022570547.db2.gz HFJNGRNPJPTODO-BEFAXECRSA-N 2 1 387.462 3.874 20 0 GHADMP FC(F)(F)c1ccncc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001140918825 1022877325 /nfs/dbraw/zinc/87/73/25/1022877325.db2.gz XEOKJJAIORTYMH-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001140973175 1023047287 /nfs/dbraw/zinc/04/72/87/1023047287.db2.gz FTCNRRVNLUCZRR-NRFANRHFSA-N 2 1 382.577 3.590 20 0 GHADMP COc1ccc([C@@H]2CSCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140974016 1023051065 /nfs/dbraw/zinc/05/10/65/1023051065.db2.gz VGFXPIGNXTUCFH-QHCPKHFHSA-N 2 1 397.588 3.737 20 0 GHADMP C[NH+]1CCC2(CCN(c3[nH+]cnc4c3ccn4Cc3ccc(F)cc3)CC2)CC1 ZINC001156576673 1033111514 /nfs/dbraw/zinc/11/15/14/1033111514.db2.gz UAEGXSYYVLDBIE-UHFFFAOYSA-N 2 1 393.510 3.931 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21 ZINC001141040532 1023362520 /nfs/dbraw/zinc/36/25/20/1023362520.db2.gz KSMPORZEUMVJAE-CEMLEFRQSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@H]21 ZINC001141040532 1023362524 /nfs/dbraw/zinc/36/25/24/1023362524.db2.gz KSMPORZEUMVJAE-CEMLEFRQSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@H]21 ZINC001141040532 1023362535 /nfs/dbraw/zinc/36/25/35/1023362535.db2.gz KSMPORZEUMVJAE-CEMLEFRQSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccn3ccnc3c1)CC2 ZINC001141043716 1023373324 /nfs/dbraw/zinc/37/33/24/1023373324.db2.gz IOJWEDSDXDFQAD-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccc(C(C)(C)C)c2)CC1 ZINC001141103188 1023500625 /nfs/dbraw/zinc/50/06/25/1023500625.db2.gz GAWOKWAXLXXBHX-DHIUTWEWSA-N 2 1 397.607 3.891 20 0 GHADMP c1cn(-c2cccc(C[NH+]3CCC4(CC[N@H+](Cc5ccoc5)C4)CC3)c2)cn1 ZINC001141241551 1024245637 /nfs/dbraw/zinc/24/56/37/1024245637.db2.gz KXCTWBCOZZZTOK-UHFFFAOYSA-N 2 1 376.504 3.953 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831146004 1024381491 /nfs/dbraw/zinc/38/14/91/1024381491.db2.gz AHUDXBDWRLVUID-RTBURBONSA-N 2 1 398.954 3.821 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831146004 1024381510 /nfs/dbraw/zinc/38/15/10/1024381510.db2.gz AHUDXBDWRLVUID-RTBURBONSA-N 2 1 398.954 3.821 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC001138275428 1024524445 /nfs/dbraw/zinc/52/44/45/1024524445.db2.gz RXYAFOHJLMNFAV-KRWDZBQOSA-N 2 1 384.471 3.695 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)s1 ZINC001138275428 1024524451 /nfs/dbraw/zinc/52/44/51/1024524451.db2.gz RXYAFOHJLMNFAV-KRWDZBQOSA-N 2 1 384.471 3.695 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC001138275428 1024524487 /nfs/dbraw/zinc/52/44/87/1024524487.db2.gz RXYAFOHJLMNFAV-KRWDZBQOSA-N 2 1 384.471 3.695 20 0 GHADMP COc1cccc(F)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001138382145 1024750354 /nfs/dbraw/zinc/75/03/54/1024750354.db2.gz FQZPGZYUGRAOCI-QGZVFWFLSA-N 2 1 388.483 3.683 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)cc1 ZINC001138547170 1024993889 /nfs/dbraw/zinc/99/38/89/1024993889.db2.gz GRIDZKPXOMZTDD-OAHLLOKOSA-N 2 1 391.397 3.962 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)cc1 ZINC001138547170 1024993895 /nfs/dbraw/zinc/99/38/95/1024993895.db2.gz GRIDZKPXOMZTDD-OAHLLOKOSA-N 2 1 391.397 3.962 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578902 1025057776 /nfs/dbraw/zinc/05/77/76/1025057776.db2.gz FHDMUYHZUDHTOG-DUXKGJEZSA-N 2 1 381.568 3.835 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578902 1025057784 /nfs/dbraw/zinc/05/77/84/1025057784.db2.gz FHDMUYHZUDHTOG-DUXKGJEZSA-N 2 1 381.568 3.835 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578902 1025057797 /nfs/dbraw/zinc/05/77/97/1025057797.db2.gz FHDMUYHZUDHTOG-DUXKGJEZSA-N 2 1 381.568 3.835 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578902 1025057807 /nfs/dbraw/zinc/05/78/07/1025057807.db2.gz FHDMUYHZUDHTOG-DUXKGJEZSA-N 2 1 381.568 3.835 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)[nH]c5ccccc54)C[C@H]3C2)cn1 ZINC001138687756 1025213798 /nfs/dbraw/zinc/21/37/98/1025213798.db2.gz XKYAZRGKOCESTJ-IAGOWNOFSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(Cl)[nH]c5ccccc54)C[C@H]3C2)cn1 ZINC001138687756 1025213806 /nfs/dbraw/zinc/21/38/06/1025213806.db2.gz XKYAZRGKOCESTJ-IAGOWNOFSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(Cl)[nH]c5ccccc54)C[C@H]3C2)cn1 ZINC001138687756 1025213812 /nfs/dbraw/zinc/21/38/12/1025213812.db2.gz XKYAZRGKOCESTJ-IAGOWNOFSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(Cl)[nH]c5ccccc54)C[C@H]3C2)cn1 ZINC001138687756 1025213822 /nfs/dbraw/zinc/21/38/22/1025213822.db2.gz XKYAZRGKOCESTJ-IAGOWNOFSA-N 2 1 383.927 3.509 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC001138723468 1025250976 /nfs/dbraw/zinc/25/09/76/1025250976.db2.gz CYJPLLHAOFMZSL-URXFXBBRSA-N 2 1 386.580 3.801 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC001138723468 1025250981 /nfs/dbraw/zinc/25/09/81/1025250981.db2.gz CYJPLLHAOFMZSL-URXFXBBRSA-N 2 1 386.580 3.801 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(C)cc(OC)c(C)c1C)C2 ZINC001138723468 1025250996 /nfs/dbraw/zinc/25/09/96/1025250996.db2.gz CYJPLLHAOFMZSL-URXFXBBRSA-N 2 1 386.580 3.801 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CCC([N@H+](C)Cc3ccccc3F)CC2)cc1 ZINC001138771890 1025341792 /nfs/dbraw/zinc/34/17/92/1025341792.db2.gz JAUZPIYFCRDMRY-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CCC([N@@H+](C)Cc3ccccc3F)CC2)cc1 ZINC001138771890 1025341808 /nfs/dbraw/zinc/34/18/08/1025341808.db2.gz JAUZPIYFCRDMRY-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccnc(Cl)c1)CC2 ZINC001138817807 1025416781 /nfs/dbraw/zinc/41/67/81/1025416781.db2.gz CFNYAZFXTWDXMP-FQEVSTJZSA-N 2 1 385.939 3.991 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5c4cccc5Cl)C[C@@H]3C2)cn1 ZINC001138833719 1025446301 /nfs/dbraw/zinc/44/63/01/1025446301.db2.gz PTRYSRAYEQTWPL-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c5c4cccc5Cl)C[C@@H]3C2)cn1 ZINC001138833719 1025446306 /nfs/dbraw/zinc/44/63/06/1025446306.db2.gz PTRYSRAYEQTWPL-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c5c4cccc5Cl)C[C@@H]3C2)cn1 ZINC001138833719 1025446314 /nfs/dbraw/zinc/44/63/14/1025446314.db2.gz PTRYSRAYEQTWPL-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c5c4cccc5Cl)C[C@@H]3C2)cn1 ZINC001138833719 1025446319 /nfs/dbraw/zinc/44/63/19/1025446319.db2.gz PTRYSRAYEQTWPL-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1C ZINC001141572847 1025618123 /nfs/dbraw/zinc/61/81/23/1025618123.db2.gz ARXPIOKZTPUQLX-CTNGQTDRSA-N 2 1 388.600 3.858 20 0 GHADMP [NH3+]Cc1cccc(-c2cncn2-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001162564029 1025796890 /nfs/dbraw/zinc/79/68/90/1025796890.db2.gz SWDKZHRQCXQDMO-UHFFFAOYSA-N 2 1 395.510 3.951 20 0 GHADMP C[Si](C)(C)CCOCn1ccc2c1nc[nH+]c2NC[C@]1(F)CCCC[NH2+]C1 ZINC001162573779 1025803000 /nfs/dbraw/zinc/80/30/00/1025803000.db2.gz UKFLKYUWXNABJN-IBGZPJMESA-N 2 1 393.583 3.637 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC001461042573 1069354889 /nfs/dbraw/zinc/35/48/89/1069354889.db2.gz DAWVHQXQLJJDSP-DUXKGJEZSA-N 2 1 376.516 3.642 20 0 GHADMP Cc1cc(Cl)cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933226 1025971241 /nfs/dbraw/zinc/97/12/41/1025971241.db2.gz AZSUTHKQAHZNDK-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP CCCCc1nc(Cl)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)[nH]1 ZINC001139176227 1026004761 /nfs/dbraw/zinc/00/47/61/1026004761.db2.gz KRASLSVXBLPNIP-UHFFFAOYSA-N 2 1 382.980 3.730 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(-n4cncn4)cc2)CC3)c1 ZINC001139331275 1026191260 /nfs/dbraw/zinc/19/12/60/1026191260.db2.gz SFLVXEQPWUDHSK-UHFFFAOYSA-N 2 1 393.560 3.817 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@@H](C)C[NH+](C)C)c2c1C ZINC001163778793 1026314235 /nfs/dbraw/zinc/31/42/35/1026314235.db2.gz NBXWHNMUBKQABU-AWEZNQCLSA-N 2 1 375.586 3.902 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[N@H+](CC)CC2)n1 ZINC001163776283 1026314374 /nfs/dbraw/zinc/31/43/74/1026314374.db2.gz QJPTWYUXKYCREP-UHFFFAOYSA-N 2 1 375.586 3.682 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[N@@H+](CC)CC2)n1 ZINC001163776283 1026314385 /nfs/dbraw/zinc/31/43/85/1026314385.db2.gz QJPTWYUXKYCREP-UHFFFAOYSA-N 2 1 375.586 3.682 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC001461092913 1069384363 /nfs/dbraw/zinc/38/43/63/1069384363.db2.gz VOXQSUHYQMWHOO-QPPBQGQZSA-N 2 1 386.628 3.819 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC001165075379 1026589745 /nfs/dbraw/zinc/58/97/45/1026589745.db2.gz XFUKZCASHQCYOD-MRXNPFEDSA-N 2 1 375.586 3.680 20 0 GHADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ccc([C@@H]3CCCC[N@H+]3CC)cn2)C1 ZINC001165106159 1026609992 /nfs/dbraw/zinc/60/99/92/1026609992.db2.gz REEFMWXOBRJMIO-ROUUACIJSA-N 2 1 399.608 3.817 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC001461145937 1069412579 /nfs/dbraw/zinc/41/25/79/1069412579.db2.gz MIEMTLLJDJDXHH-UHFFFAOYSA-N 2 1 389.540 3.587 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC001166903604 1027144597 /nfs/dbraw/zinc/14/45/97/1027144597.db2.gz ZIJBTEGOSSNONT-HXUWFJFHSA-N 2 1 379.483 3.587 20 0 GHADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209777852 1027185879 /nfs/dbraw/zinc/18/58/79/1027185879.db2.gz KPFOZKOFPDALQN-BPUDTRNYSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209777852 1027185890 /nfs/dbraw/zinc/18/58/90/1027185890.db2.gz KPFOZKOFPDALQN-BPUDTRNYSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209777852 1027185908 /nfs/dbraw/zinc/18/59/08/1027185908.db2.gz KPFOZKOFPDALQN-BPUDTRNYSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209777852 1027185922 /nfs/dbraw/zinc/18/59/22/1027185922.db2.gz KPFOZKOFPDALQN-BPUDTRNYSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)[NH+]1CCC(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC001203283567 1027260376 /nfs/dbraw/zinc/26/03/76/1027260376.db2.gz SRIPZQGHRJDKGN-UHFFFAOYSA-N 3 1 375.576 3.933 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccccc1F)CC2 ZINC001203347179 1027284003 /nfs/dbraw/zinc/28/40/03/1027284003.db2.gz AEOIHONDKGUCLO-OAQYLSRUSA-N 2 1 390.543 3.555 20 0 GHADMP Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2ccc(C[NH+]3CCCC3)cc2)[nH+]1 ZINC001203785781 1027604469 /nfs/dbraw/zinc/60/44/69/1027604469.db2.gz IKJSPKYPHLFGGF-IAGOWNOFSA-N 2 1 381.524 3.738 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1C ZINC001203892613 1027686877 /nfs/dbraw/zinc/68/68/77/1027686877.db2.gz DXLBJWYCTHSZLD-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1C ZINC001203892613 1027686883 /nfs/dbraw/zinc/68/68/83/1027686883.db2.gz DXLBJWYCTHSZLD-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1C ZINC001203892613 1027686893 /nfs/dbraw/zinc/68/68/93/1027686893.db2.gz DXLBJWYCTHSZLD-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1C ZINC001203892613 1027686904 /nfs/dbraw/zinc/68/69/04/1027686904.db2.gz DXLBJWYCTHSZLD-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203929868 1027722104 /nfs/dbraw/zinc/72/21/04/1027722104.db2.gz HWCXGWVXOUPPMU-GOTSBHOMSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203929868 1027722118 /nfs/dbraw/zinc/72/21/18/1027722118.db2.gz HWCXGWVXOUPPMU-GOTSBHOMSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203929868 1027722136 /nfs/dbraw/zinc/72/21/36/1027722136.db2.gz HWCXGWVXOUPPMU-GOTSBHOMSA-N 2 1 377.532 3.989 20 0 GHADMP COc1ccc2ccccc2c1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001203989501 1027786249 /nfs/dbraw/zinc/78/62/49/1027786249.db2.gz ZQWDRZYWCVLPLB-UHFFFAOYSA-N 2 1 390.531 3.699 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052060 1027840624 /nfs/dbraw/zinc/84/06/24/1027840624.db2.gz DPBQOLALOSXORP-HLAWJBBLSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052060 1027840646 /nfs/dbraw/zinc/84/06/46/1027840646.db2.gz DPBQOLALOSXORP-HLAWJBBLSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052060 1027840668 /nfs/dbraw/zinc/84/06/68/1027840668.db2.gz DPBQOLALOSXORP-HLAWJBBLSA-N 2 1 379.504 3.543 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052060 1027840690 /nfs/dbraw/zinc/84/06/90/1027840690.db2.gz DPBQOLALOSXORP-HLAWJBBLSA-N 2 1 379.504 3.543 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052060 1027840712 /nfs/dbraw/zinc/84/07/12/1027840712.db2.gz DPBQOLALOSXORP-HLAWJBBLSA-N 2 1 379.504 3.543 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)C[C@@H]21 ZINC001204052060 1027840737 /nfs/dbraw/zinc/84/07/37/1027840737.db2.gz DPBQOLALOSXORP-HLAWJBBLSA-N 2 1 379.504 3.543 20 0 GHADMP C[C@@H](CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001211285871 1027889915 /nfs/dbraw/zinc/88/99/15/1027889915.db2.gz MDRWLJRGQWMFRF-MOPGFXCFSA-N 2 1 380.621 3.649 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001211294275 1027896068 /nfs/dbraw/zinc/89/60/68/1027896068.db2.gz ABLCVINGEFSYSB-VWPQPMDRSA-N 2 1 388.600 3.879 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc(OC)c1O ZINC001204126684 1027898321 /nfs/dbraw/zinc/89/83/21/1027898321.db2.gz LMHJCGDUVBPTAA-RTWAWAEBSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc(OC)c1O ZINC001204126684 1027898341 /nfs/dbraw/zinc/89/83/41/1027898341.db2.gz LMHJCGDUVBPTAA-RTWAWAEBSA-N 2 1 396.531 3.753 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC001211305852 1027902734 /nfs/dbraw/zinc/90/27/34/1027902734.db2.gz YGTANASIAVTFON-QFIPXVFZSA-N 2 1 388.600 3.806 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921553 1027958208 /nfs/dbraw/zinc/95/82/08/1027958208.db2.gz WHTHYMILGNECRN-AZUAARDMSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921553 1027958216 /nfs/dbraw/zinc/95/82/16/1027958216.db2.gz WHTHYMILGNECRN-AZUAARDMSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921553 1027958224 /nfs/dbraw/zinc/95/82/24/1027958224.db2.gz WHTHYMILGNECRN-AZUAARDMSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921553 1027958227 /nfs/dbraw/zinc/95/82/27/1027958227.db2.gz WHTHYMILGNECRN-AZUAARDMSA-N 2 1 386.536 3.849 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841290418 1028378073 /nfs/dbraw/zinc/37/80/73/1028378073.db2.gz DYOHOASNCYEZDX-SFHVURJKSA-N 2 1 396.535 3.720 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000841309533 1028405613 /nfs/dbraw/zinc/40/56/13/1028405613.db2.gz RSJPXYHPBJOFQZ-HSZRJFAPSA-N 2 1 380.536 3.830 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000841688980 1028838601 /nfs/dbraw/zinc/83/86/01/1028838601.db2.gz DFNQXZCRHUQZEE-OTXOEQGISA-N 2 1 386.584 3.576 20 0 GHADMP CCN(C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC001215961544 1029472889 /nfs/dbraw/zinc/47/28/89/1029472889.db2.gz NWFXVCUZASAIJI-QFIPXVFZSA-N 2 1 386.584 3.909 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842695243 1029504699 /nfs/dbraw/zinc/50/46/99/1029504699.db2.gz YNIZETMYZTWYKV-UYAOXDASSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842695243 1029504711 /nfs/dbraw/zinc/50/47/11/1029504711.db2.gz YNIZETMYZTWYKV-UYAOXDASSA-N 2 1 387.568 3.934 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843054940 1029788675 /nfs/dbraw/zinc/78/86/75/1029788675.db2.gz OMNYKTOZDAYYNZ-UHFFFAOYSA-N 2 1 391.357 3.953 20 0 GHADMP CN1c2ccc(C[N@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)cc2CCC1=O ZINC000843106824 1029811820 /nfs/dbraw/zinc/81/18/20/1029811820.db2.gz COCSMQZWQPORBU-UPVQGACJSA-N 2 1 391.559 3.768 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1C(F)(F)F ZINC001143145388 1029868097 /nfs/dbraw/zinc/86/80/97/1029868097.db2.gz JWJKSKAMCVKRNK-DXRVJIQQSA-N 2 1 397.485 3.593 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C)[NH2+][C@@H](C)c1ccccc1 ZINC001221976184 1029914108 /nfs/dbraw/zinc/91/41/08/1029914108.db2.gz REZOYIDFCITZGF-TYPHKJRUSA-N 2 1 386.584 3.774 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000843361400 1029940812 /nfs/dbraw/zinc/94/08/12/1029940812.db2.gz ZOFJBSPGEBNDGN-MFXLTOHQSA-N 2 1 383.561 3.688 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000843361400 1029940818 /nfs/dbraw/zinc/94/08/18/1029940818.db2.gz ZOFJBSPGEBNDGN-MFXLTOHQSA-N 2 1 383.561 3.688 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364852 1029942758 /nfs/dbraw/zinc/94/27/58/1029942758.db2.gz ZTRZDDMYUXFBBU-GOSISDBHSA-N 2 1 379.504 3.881 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC001143248403 1029946059 /nfs/dbraw/zinc/94/60/59/1029946059.db2.gz QFULRCDPMIYCPU-AABGKKOBSA-N 2 1 389.494 3.589 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC001143248403 1029946061 /nfs/dbraw/zinc/94/60/61/1029946061.db2.gz QFULRCDPMIYCPU-AABGKKOBSA-N 2 1 389.494 3.589 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC001143248403 1029946065 /nfs/dbraw/zinc/94/60/65/1029946065.db2.gz QFULRCDPMIYCPU-AABGKKOBSA-N 2 1 389.494 3.589 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]21 ZINC001143248403 1029946071 /nfs/dbraw/zinc/94/60/71/1029946071.db2.gz QFULRCDPMIYCPU-AABGKKOBSA-N 2 1 389.494 3.589 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)cc(C(F)(F)F)c1 ZINC001222207955 1030005115 /nfs/dbraw/zinc/00/51/15/1030005115.db2.gz HGMIESFSRBTEOJ-UHFFFAOYSA-N 2 1 382.348 3.679 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CC[C@H](C)CCCC(C)(C)OC)CC[NH2+]CC2 ZINC001222215382 1030011879 /nfs/dbraw/zinc/01/18/79/1030011879.db2.gz DGMSBQJPMPVMIA-MOPGFXCFSA-N 2 1 382.589 3.615 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC001222226901 1030021354 /nfs/dbraw/zinc/02/13/54/1030021354.db2.gz YPLCUPPFOHTICN-JOCHJYFZSA-N 2 1 378.516 3.861 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001149463111 1030181364 /nfs/dbraw/zinc/18/13/64/1030181364.db2.gz MAILRXGAZFGWPV-IBGZPJMESA-N 2 1 399.604 3.865 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001149463111 1030181371 /nfs/dbraw/zinc/18/13/71/1030181371.db2.gz MAILRXGAZFGWPV-IBGZPJMESA-N 2 1 399.604 3.865 20 0 GHADMP CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC001149519406 1030203672 /nfs/dbraw/zinc/20/36/72/1030203672.db2.gz QFEMRXOJHXQHSU-YADHBBJMSA-N 2 1 383.580 3.764 20 0 GHADMP CCn1nc(C)c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222583530 1030211518 /nfs/dbraw/zinc/21/15/18/1030211518.db2.gz PGSNCKRFOCNKAS-JOCHJYFZSA-N 2 1 396.579 3.823 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC001222979327 1030376114 /nfs/dbraw/zinc/37/61/14/1030376114.db2.gz JGBIFGCJKMEXGF-RBBKRZOGSA-N 2 1 388.600 3.563 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC001461681581 1069675368 /nfs/dbraw/zinc/67/53/68/1069675368.db2.gz FZESWGOMDZHDDF-UZLBHIALSA-N 2 1 383.536 3.666 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1Cl ZINC001223445601 1030577344 /nfs/dbraw/zinc/57/73/44/1030577344.db2.gz WZBIFUJWWPAYIP-GQIGUUNPSA-N 2 1 392.975 3.647 20 0 GHADMP C[C@]([NH3+])(Cc1ccccc1F)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217757247 1030646263 /nfs/dbraw/zinc/64/62/63/1030646263.db2.gz HKYDDDKOVRYFIR-AVRDEDQJSA-N 2 1 380.467 3.615 20 0 GHADMP C[C@]([NH3+])(Cc1ccccc1F)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217757247 1030646274 /nfs/dbraw/zinc/64/62/74/1030646274.db2.gz HKYDDDKOVRYFIR-AVRDEDQJSA-N 2 1 380.467 3.615 20 0 GHADMP c1ccc(C(c2ccccc2)[NH+]2CC(OC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC001217826704 1030657975 /nfs/dbraw/zinc/65/79/75/1030657975.db2.gz GCIAJCGTWYRQPR-JOCHJYFZSA-N 2 1 392.543 3.636 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[C@]24CC[NH2+]C4)c1-3 ZINC001218116428 1030781705 /nfs/dbraw/zinc/78/17/05/1030781705.db2.gz JXWSBYXZKWSZEU-DRMXPCRNSA-N 2 1 376.500 3.665 20 0 GHADMP CCC[NH+]1CCC(NC(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)CC1 ZINC001151816113 1031013823 /nfs/dbraw/zinc/01/38/23/1031013823.db2.gz JCTTYFGPVPQOLU-UHFFFAOYSA-N 2 1 377.532 3.807 20 0 GHADMP CCC[NH+]1CCC(NC(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC001151816113 1031013841 /nfs/dbraw/zinc/01/38/41/1031013841.db2.gz JCTTYFGPVPQOLU-UHFFFAOYSA-N 2 1 377.532 3.807 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1)CC(C)C ZINC001152268123 1031164978 /nfs/dbraw/zinc/16/49/78/1031164978.db2.gz BFBZOYODGUGGHV-RPWUZVMVSA-N 2 1 399.623 3.938 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1)CC(C)C ZINC001152268123 1031164987 /nfs/dbraw/zinc/16/49/87/1031164987.db2.gz BFBZOYODGUGGHV-RPWUZVMVSA-N 2 1 399.623 3.938 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1)CC(C)C ZINC001152268123 1031164996 /nfs/dbraw/zinc/16/49/96/1031164996.db2.gz BFBZOYODGUGGHV-RPWUZVMVSA-N 2 1 399.623 3.938 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001224898666 1031169476 /nfs/dbraw/zinc/16/94/76/1031169476.db2.gz KGSCCJHOXPNSOR-CEMLEFRQSA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001224898666 1031169481 /nfs/dbraw/zinc/16/94/81/1031169481.db2.gz KGSCCJHOXPNSOR-CEMLEFRQSA-N 2 1 386.584 3.776 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001224898666 1031169493 /nfs/dbraw/zinc/16/94/93/1031169493.db2.gz KGSCCJHOXPNSOR-CEMLEFRQSA-N 2 1 386.584 3.776 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC001219713285 1031573640 /nfs/dbraw/zinc/57/36/40/1031573640.db2.gz NBKXAZIIRLMXQO-UHFFFAOYSA-N 2 1 389.569 3.581 20 0 GHADMP Cc1cccc2c1C1(C[C@@H]2CC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC001220062152 1031761969 /nfs/dbraw/zinc/76/19/69/1031761969.db2.gz NYQGKRQQUSUEAK-RTWAWAEBSA-N 2 1 397.607 3.874 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001154079201 1031915243 /nfs/dbraw/zinc/91/52/43/1031915243.db2.gz QGAFSXHPCSKYNH-NQIIRXRSSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCCC1 ZINC001154079201 1031915247 /nfs/dbraw/zinc/91/52/47/1031915247.db2.gz QGAFSXHPCSKYNH-NQIIRXRSSA-N 2 1 375.532 3.561 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001226564714 1032016604 /nfs/dbraw/zinc/01/66/04/1032016604.db2.gz FENIZWJULGDJFI-AERCQKQUSA-N 2 1 392.547 3.818 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(=O)C1CC1 ZINC001205385494 1033389263 /nfs/dbraw/zinc/38/92/63/1033389263.db2.gz ICXWUNCTLYWYAO-VQIMIIECSA-N 2 1 386.536 3.753 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)CCCO1 ZINC001205405998 1033396856 /nfs/dbraw/zinc/39/68/56/1033396856.db2.gz PEJVVGMKUKKJJZ-OALUTQOASA-N 2 1 397.604 3.503 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC001205446407 1033414691 /nfs/dbraw/zinc/41/46/91/1033414691.db2.gz KHBCDMAUTRFVFY-SVXFZJLFSA-N 2 1 399.579 3.886 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)ccc1OC(=O)c1cccs1 ZINC001205546180 1033463776 /nfs/dbraw/zinc/46/37/76/1033463776.db2.gz RFTQNXUHOHBGKM-HXUWFJFHSA-N 2 1 392.496 3.629 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)nc1 ZINC001205619470 1033495424 /nfs/dbraw/zinc/49/54/24/1033495424.db2.gz BOPBFBXBYRMVON-HXUWFJFHSA-N 2 1 379.548 3.998 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)nc1 ZINC001205619470 1033495437 /nfs/dbraw/zinc/49/54/37/1033495437.db2.gz BOPBFBXBYRMVON-HXUWFJFHSA-N 2 1 379.548 3.998 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205637654 1033505531 /nfs/dbraw/zinc/50/55/31/1033505531.db2.gz ICLKROZCBPWXFS-ZIAGYGMSSA-N 2 1 377.916 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[N@@H+]2CCO[C@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001205753387 1033558576 /nfs/dbraw/zinc/55/85/76/1033558576.db2.gz VHBKTPRAPJWKKJ-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCO[C@]3(CCCOC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001205753387 1033558583 /nfs/dbraw/zinc/55/85/83/1033558583.db2.gz VHBKTPRAPJWKKJ-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@]3(CCCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001205753387 1033558594 /nfs/dbraw/zinc/55/85/94/1033558594.db2.gz VHBKTPRAPJWKKJ-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@]3(CCCOC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001205753387 1033558596 /nfs/dbraw/zinc/55/85/96/1033558596.db2.gz VHBKTPRAPJWKKJ-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP COC(=O)C1=C[C@H](Oc2cccc([C@@H](C)[NH+](C)C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001229622429 1033600386 /nfs/dbraw/zinc/60/03/86/1033600386.db2.gz MVLWCRKBBPAZLS-JPYJTQIMSA-N 2 1 394.515 3.672 20 0 GHADMP C[N@@H+](CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)Cc1ccc(F)cc1 ZINC001229727563 1033669142 /nfs/dbraw/zinc/66/91/42/1033669142.db2.gz XHMZJQDKGIQRSV-UHFFFAOYSA-N 2 1 392.563 3.601 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc1C ZINC001206326299 1033797294 /nfs/dbraw/zinc/79/72/94/1033797294.db2.gz MMKLTESUWXDQCY-QGZVFWFLSA-N 2 1 386.321 3.859 20 0 GHADMP COc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)cc(OC)c1Br ZINC001206599337 1033920743 /nfs/dbraw/zinc/92/07/43/1033920743.db2.gz RKQRTJXNTPQOMH-OAHLLOKOSA-N 2 1 385.346 3.819 20 0 GHADMP COc1cccc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC001206727262 1033958905 /nfs/dbraw/zinc/95/89/05/1033958905.db2.gz BKPADVNOYRRRLS-UHFFFAOYSA-N 2 1 380.532 3.907 20 0 GHADMP CCN(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)[C@H]1CCC[NH2+]C1 ZINC001158206057 1033962954 /nfs/dbraw/zinc/96/29/54/1033962954.db2.gz ZPKHNMGTFOXAPL-INIZCTEOSA-N 2 1 399.608 3.744 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC001206750002 1033968501 /nfs/dbraw/zinc/96/85/01/1033968501.db2.gz QXFZIGHQOBYXSG-UHFFFAOYSA-N 2 1 399.336 3.589 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(C)c1 ZINC001206776450 1033978921 /nfs/dbraw/zinc/97/89/21/1033978921.db2.gz BICULTDWIZFANI-HSZRJFAPSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(C)c1 ZINC001206776450 1033978929 /nfs/dbraw/zinc/97/89/29/1033978929.db2.gz BICULTDWIZFANI-HSZRJFAPSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(C)c1 ZINC001206776450 1033978932 /nfs/dbraw/zinc/97/89/32/1033978932.db2.gz BICULTDWIZFANI-HSZRJFAPSA-N 2 1 383.536 3.892 20 0 GHADMP C[NH+](C)C[C@@H]1C[NH+](CCCCc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH+](C)C ZINC001207120516 1034107248 /nfs/dbraw/zinc/10/72/48/1034107248.db2.gz VPTHEJBDVDZJLN-QZTJIDSGSA-N 3 1 386.411 3.987 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214496 1034181417 /nfs/dbraw/zinc/18/14/17/1034181417.db2.gz NUKMAMCBNSYAMG-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214496 1034181435 /nfs/dbraw/zinc/18/14/35/1034181435.db2.gz NUKMAMCBNSYAMG-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214496 1034181452 /nfs/dbraw/zinc/18/14/52/1034181452.db2.gz NUKMAMCBNSYAMG-VSKRKVRLSA-N 2 1 399.579 3.697 20 0 GHADMP C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207216844 1034184432 /nfs/dbraw/zinc/18/44/32/1034184432.db2.gz MTKKSTSSXOXZGB-SFHVURJKSA-N 2 1 379.589 3.972 20 0 GHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207223873 1034190627 /nfs/dbraw/zinc/19/06/27/1034190627.db2.gz BPXMQHTWZULXLJ-LJQANCHMSA-N 2 1 389.540 3.880 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207240077 1034204550 /nfs/dbraw/zinc/20/45/50/1034204550.db2.gz DHGLUDYNKPIRRD-GOSISDBHSA-N 2 1 388.556 3.576 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001207245028 1034208155 /nfs/dbraw/zinc/20/81/55/1034208155.db2.gz PTIYWJNTJOHVCT-KRWDZBQOSA-N 2 1 383.552 3.532 20 0 GHADMP CC(C)OCc1ncn2c1C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC001207290542 1034240469 /nfs/dbraw/zinc/24/04/69/1034240469.db2.gz DOVOKBFGKPOUAM-UHFFFAOYSA-N 2 1 396.579 3.926 20 0 GHADMP Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC001230859241 1034255655 /nfs/dbraw/zinc/25/56/55/1034255655.db2.gz UUVWBBSNFWHFIR-KSEOMHKRSA-N 2 1 388.600 3.545 20 0 GHADMP Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC001230859241 1034255670 /nfs/dbraw/zinc/25/56/70/1034255670.db2.gz UUVWBBSNFWHFIR-KSEOMHKRSA-N 2 1 388.600 3.545 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C=C\c3c(C)cc(C)cc3C)CC2)CC1 ZINC001461892954 1069847670 /nfs/dbraw/zinc/84/76/70/1069847670.db2.gz AVEQJGDCGRSMNY-SREVYHEPSA-N 2 1 397.607 3.891 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCc3ccc(Br)cc3)C2)C1 ZINC001207379540 1034325570 /nfs/dbraw/zinc/32/55/70/1034325570.db2.gz ATKZULYFCOPDBJ-FQEVSTJZSA-N 2 1 395.385 3.814 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCc3ccc(Br)cc3)C2)C1 ZINC001207379540 1034325584 /nfs/dbraw/zinc/32/55/84/1034325584.db2.gz ATKZULYFCOPDBJ-FQEVSTJZSA-N 2 1 395.385 3.814 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCc3ccc(Br)cc3)C2)C1 ZINC001207379540 1034325596 /nfs/dbraw/zinc/32/55/96/1034325596.db2.gz ATKZULYFCOPDBJ-FQEVSTJZSA-N 2 1 395.385 3.814 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCc3ccc(Br)cc3)C2)C1 ZINC001207379540 1034325602 /nfs/dbraw/zinc/32/56/02/1034325602.db2.gz ATKZULYFCOPDBJ-FQEVSTJZSA-N 2 1 395.385 3.814 20 0 GHADMP COc1cccc(CC[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001207427565 1034364594 /nfs/dbraw/zinc/36/45/94/1034364594.db2.gz YTRIUSSHTFLFHQ-FQEVSTJZSA-N 2 1 384.520 3.586 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC[NH2+]CC2)C[C@H]1c1ccc(Cl)cc1 ZINC001207437246 1034368645 /nfs/dbraw/zinc/36/86/45/1034368645.db2.gz GHFJRXILKFDLCT-IBGZPJMESA-N 2 1 393.959 3.933 20 0 GHADMP Cc1cc(Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cnc1N1CC[NH2+]CC1 ZINC001159553599 1034661727 /nfs/dbraw/zinc/66/17/27/1034661727.db2.gz HSNLPHVMBCPMHR-UHFFFAOYSA-N 2 1 390.535 3.911 20 0 GHADMP COCCCOc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1OC ZINC001231611693 1034766527 /nfs/dbraw/zinc/76/65/27/1034766527.db2.gz HCPHTTGQZDUEMR-OAQYLSRUSA-N 2 1 390.568 3.951 20 0 GHADMP COCCCOc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1OC ZINC001231611693 1034766536 /nfs/dbraw/zinc/76/65/36/1034766536.db2.gz HCPHTTGQZDUEMR-OAQYLSRUSA-N 2 1 390.568 3.951 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cn1 ZINC001231653827 1034811379 /nfs/dbraw/zinc/81/13/79/1034811379.db2.gz YPTWQIHTCWJCCB-UHFFFAOYSA-N 2 1 395.547 3.656 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]23CCCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001208592042 1034946874 /nfs/dbraw/zinc/94/68/74/1034946874.db2.gz BPXGYRWRUXVHDD-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP Cc1cc(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC001160587824 1035010689 /nfs/dbraw/zinc/01/06/89/1035010689.db2.gz HIZCXEGBBQMQIP-UHFFFAOYSA-N 2 1 377.492 3.524 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(OC)ccn2)CC3)c1 ZINC001231967109 1035014498 /nfs/dbraw/zinc/01/44/98/1035014498.db2.gz OHINRFUBCVISAZ-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC001160635775 1035021945 /nfs/dbraw/zinc/02/19/45/1035021945.db2.gz UAEYVQURGSUEGX-MXXWWZHRSA-N 2 1 397.526 3.866 20 0 GHADMP C[N@H+](CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001208817532 1035037586 /nfs/dbraw/zinc/03/75/86/1035037586.db2.gz FHUZNMYCWZVQQK-UHFFFAOYSA-N 2 1 399.576 3.965 20 0 GHADMP C[N@@H+](CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001208817532 1035037590 /nfs/dbraw/zinc/03/75/90/1035037590.db2.gz FHUZNMYCWZVQQK-UHFFFAOYSA-N 2 1 399.576 3.965 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001461937849 1069902022 /nfs/dbraw/zinc/90/20/22/1069902022.db2.gz KYRWKRGQDSZCSW-HSALFYBXSA-N 2 1 379.589 3.972 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)nc1C)CC2 ZINC001232082033 1035084182 /nfs/dbraw/zinc/08/41/82/1035084182.db2.gz LQAFGTDJKKDFNV-QHCPKHFHSA-N 2 1 394.563 3.597 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(C(F)(F)F)n1 ZINC001232088840 1035087106 /nfs/dbraw/zinc/08/71/06/1035087106.db2.gz LCQCRWJIIGQGAK-ROUUACIJSA-N 2 1 392.469 3.783 20 0 GHADMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(C(F)(F)F)n1 ZINC001232088840 1035087114 /nfs/dbraw/zinc/08/71/14/1035087114.db2.gz LCQCRWJIIGQGAK-ROUUACIJSA-N 2 1 392.469 3.783 20 0 GHADMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(C(F)(F)F)n1 ZINC001232088840 1035087122 /nfs/dbraw/zinc/08/71/22/1035087122.db2.gz LCQCRWJIIGQGAK-ROUUACIJSA-N 2 1 392.469 3.783 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC001160927882 1035096027 /nfs/dbraw/zinc/09/60/27/1035096027.db2.gz CQPCPXZHJCWGIH-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001160927882 1035096032 /nfs/dbraw/zinc/09/60/32/1035096032.db2.gz CQPCPXZHJCWGIH-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001160927882 1035096039 /nfs/dbraw/zinc/09/60/39/1035096039.db2.gz CQPCPXZHJCWGIH-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208933289 1035097454 /nfs/dbraw/zinc/09/74/54/1035097454.db2.gz CTVLSSYQNBRRIB-ZEQRLZLVSA-N 2 1 398.591 3.949 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208933289 1035097460 /nfs/dbraw/zinc/09/74/60/1035097460.db2.gz CTVLSSYQNBRRIB-ZEQRLZLVSA-N 2 1 398.591 3.949 20 0 GHADMP CN(CC1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208932387 1035097854 /nfs/dbraw/zinc/09/78/54/1035097854.db2.gz POBFXNIFXRQZHC-HXUWFJFHSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208932387 1035097863 /nfs/dbraw/zinc/09/78/63/1035097863.db2.gz POBFXNIFXRQZHC-HXUWFJFHSA-N 2 1 387.568 3.697 20 0 GHADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937329 1035104637 /nfs/dbraw/zinc/10/46/37/1035104637.db2.gz SCERFHOKBYXBOU-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937329 1035104646 /nfs/dbraw/zinc/10/46/46/1035104646.db2.gz SCERFHOKBYXBOU-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937329 1035104654 /nfs/dbraw/zinc/10/46/54/1035104654.db2.gz SCERFHOKBYXBOU-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937329 1035104660 /nfs/dbraw/zinc/10/46/60/1035104660.db2.gz SCERFHOKBYXBOU-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP O=C(NC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCC1 ZINC001208944189 1035112993 /nfs/dbraw/zinc/11/29/93/1035112993.db2.gz OLAVUABMAGQBFW-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949838 1035120722 /nfs/dbraw/zinc/12/07/22/1035120722.db2.gz YEJNUPNBMNDYRF-FRHHVXPKSA-N 2 1 375.560 3.840 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949838 1035120727 /nfs/dbraw/zinc/12/07/27/1035120727.db2.gz YEJNUPNBMNDYRF-FRHHVXPKSA-N 2 1 375.560 3.840 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208949841 1035120902 /nfs/dbraw/zinc/12/09/02/1035120902.db2.gz YHZYRZRJHSYOTI-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208949841 1035120907 /nfs/dbraw/zinc/12/09/07/1035120907.db2.gz YHZYRZRJHSYOTI-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208949841 1035120914 /nfs/dbraw/zinc/12/09/14/1035120914.db2.gz YHZYRZRJHSYOTI-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208949841 1035120920 /nfs/dbraw/zinc/12/09/20/1035120920.db2.gz YHZYRZRJHSYOTI-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP FC(F)(F)c1nc(C2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC001208949317 1035121113 /nfs/dbraw/zinc/12/11/13/1035121113.db2.gz KUPKRPRMVFAYDI-INIZCTEOSA-N 2 1 394.441 3.790 20 0 GHADMP FC(F)(F)c1nc(C2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC001208949317 1035121118 /nfs/dbraw/zinc/12/11/18/1035121118.db2.gz KUPKRPRMVFAYDI-INIZCTEOSA-N 2 1 394.441 3.790 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950404 1035122528 /nfs/dbraw/zinc/12/25/28/1035122528.db2.gz SVEWQQCTCKDBCH-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950404 1035122533 /nfs/dbraw/zinc/12/25/33/1035122533.db2.gz SVEWQQCTCKDBCH-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950404 1035122535 /nfs/dbraw/zinc/12/25/35/1035122535.db2.gz SVEWQQCTCKDBCH-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC001208951773 1035123841 /nfs/dbraw/zinc/12/38/41/1035123841.db2.gz MYPQEWGSPZUXTI-MOUTVQLLSA-N 2 1 386.580 3.803 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[NH+]2C[C@@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC001208951773 1035123847 /nfs/dbraw/zinc/12/38/47/1035123847.db2.gz MYPQEWGSPZUXTI-MOUTVQLLSA-N 2 1 386.580 3.803 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[NH+]2C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001208951773 1035123852 /nfs/dbraw/zinc/12/38/52/1035123852.db2.gz MYPQEWGSPZUXTI-MOUTVQLLSA-N 2 1 386.580 3.803 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3ncnc(-c4ccccc4)c3CC2)c1 ZINC001232150001 1035129470 /nfs/dbraw/zinc/12/94/70/1035129470.db2.gz OHPFGGVFNIUFNZ-UHFFFAOYSA-N 2 1 390.506 3.945 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001209123883 1035184140 /nfs/dbraw/zinc/18/41/40/1035184140.db2.gz ADIQGJVZCZJWTD-NHCUHLMSSA-N 2 1 396.497 3.928 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001209123883 1035184145 /nfs/dbraw/zinc/18/41/45/1035184145.db2.gz ADIQGJVZCZJWTD-NHCUHLMSSA-N 2 1 396.497 3.928 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001209123883 1035184147 /nfs/dbraw/zinc/18/41/47/1035184147.db2.gz ADIQGJVZCZJWTD-NHCUHLMSSA-N 2 1 396.497 3.928 20 0 GHADMP FC(F)(F)c1ccc(CC[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001209124488 1035184305 /nfs/dbraw/zinc/18/43/05/1035184305.db2.gz MYTWLCQNGBVIBI-UHFFFAOYSA-N 2 1 392.469 3.599 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC001161236138 1035187488 /nfs/dbraw/zinc/18/74/88/1035187488.db2.gz ADHFGGLOBYXGKK-UHFFFAOYSA-N 2 1 392.975 3.634 20 0 GHADMP Fc1cc(F)cc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001209136525 1035188340 /nfs/dbraw/zinc/18/83/40/1035188340.db2.gz PEPLFKRSQZDPRM-UHFFFAOYSA-N 2 1 386.486 3.874 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3COC(C)(C)OC3)C[C@H]21 ZINC001209195106 1035206229 /nfs/dbraw/zinc/20/62/29/1035206229.db2.gz CALRRXAHSPWOFW-DFQSSKMNSA-N 2 1 378.582 3.680 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3cc4c(nn3)CC[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161464042 1035236172 /nfs/dbraw/zinc/23/61/72/1035236172.db2.gz XNJKVTKIAWZLNE-UPVQGACJSA-N 2 1 399.542 3.593 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4CN3C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209317889 1035240575 /nfs/dbraw/zinc/24/05/75/1035240575.db2.gz HLUQYNQYJYITBU-VSKRKVRLSA-N 2 1 399.579 3.622 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](CC1C[C@H](C)O[C@@H](C)C1)CC2 ZINC001209378980 1035261699 /nfs/dbraw/zinc/26/16/99/1035261699.db2.gz GSUSQKHZKKHGMQ-IRXDYDNUSA-N 2 1 375.557 3.925 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CC4C[C@H](C)O[C@@H](C)C4)CC3)C2)cc1 ZINC001209379339 1035262714 /nfs/dbraw/zinc/26/27/14/1035262714.db2.gz HPVUXANBRPBKFE-SFTDATJTSA-N 2 1 386.580 3.865 20 0 GHADMP COCCC[N@@H+](CCC[NH+]1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209451435 1035277406 /nfs/dbraw/zinc/27/74/06/1035277406.db2.gz YUKKXHMXXBKKKT-UHFFFAOYSA-N 2 1 397.604 3.600 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(N4CCCC4)nc2)CC3)co1 ZINC001209625199 1035335136 /nfs/dbraw/zinc/33/51/36/1035335136.db2.gz ZMHHESZHKCUSKF-UHFFFAOYSA-N 2 1 380.536 3.763 20 0 GHADMP C[N@H+](Cc1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1)C1CCCC1 ZINC001248140027 1035559692 /nfs/dbraw/zinc/55/96/92/1035559692.db2.gz KKRRMKCYVLMKAC-LJQANCHMSA-N 2 1 381.455 3.982 20 0 GHADMP C[N@@H+](Cc1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1)C1CCCC1 ZINC001248140027 1035559701 /nfs/dbraw/zinc/55/97/01/1035559701.db2.gz KKRRMKCYVLMKAC-LJQANCHMSA-N 2 1 381.455 3.982 20 0 GHADMP Cc1cc(Br)c(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)cc1F ZINC001248194712 1035624087 /nfs/dbraw/zinc/62/40/87/1035624087.db2.gz MSDAJIVQRYJHSS-AWEZNQCLSA-N 2 1 385.281 3.678 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)nc1 ZINC001241780264 1035696410 /nfs/dbraw/zinc/69/64/10/1035696410.db2.gz NLCVCIPWTCYMJJ-IBGZPJMESA-N 2 1 394.563 3.805 20 0 GHADMP C[NH+](C)CCCOc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001248413801 1035832962 /nfs/dbraw/zinc/83/29/62/1035832962.db2.gz HDBVDXRAEUDJIP-UHFFFAOYSA-N 2 1 386.515 3.652 20 0 GHADMP C[NH+]1CCC(n2cc(-c3ccc4[nH]c([C@H]5[NH2+][C@@H]6CC[C@H]5C6)nc4c3)cn2)CC1 ZINC001242729620 1035949748 /nfs/dbraw/zinc/94/97/48/1035949748.db2.gz JIWNAGBESWMQKU-XPIZARPCSA-N 2 1 376.508 3.506 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001248785323 1036146765 /nfs/dbraw/zinc/14/67/65/1036146765.db2.gz WDVMCFDRAWMACS-FGZHOGPDSA-N 2 1 399.579 3.753 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246022280 1037140999 /nfs/dbraw/zinc/14/09/99/1037140999.db2.gz JFVLLQDXHBQLIL-MHECFPHRSA-N 2 1 393.531 3.669 20 0 GHADMP CC(C)[N@@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)[C@H]1CCC[NH2+]CC1 ZINC001246025936 1037144562 /nfs/dbraw/zinc/14/45/62/1037144562.db2.gz YJTFIIKKDUQQOD-RBUKOAKNSA-N 2 1 395.547 3.913 20 0 GHADMP CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC001246066277 1037177008 /nfs/dbraw/zinc/17/70/08/1037177008.db2.gz SZQWGGAQLFEPFH-ACIOBRDBSA-N 2 1 382.548 3.584 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246067890 1037179882 /nfs/dbraw/zinc/17/98/82/1037179882.db2.gz PUZYAFGRJKLEIT-DNVJHFABSA-N 2 1 382.548 3.815 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246069688 1037183448 /nfs/dbraw/zinc/18/34/48/1037183448.db2.gz LBLJCJMDNVPOSX-JBACZVJFSA-N 2 1 390.568 3.728 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071523 1037186190 /nfs/dbraw/zinc/18/61/90/1037186190.db2.gz SWJFBMSNZGPRMT-XXTHSBEZSA-N 2 1 391.600 3.747 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123233 1037203137 /nfs/dbraw/zinc/20/31/37/1037203137.db2.gz UKHAGUDLSRAFPN-FUPPJEDESA-N 3 1 387.612 3.672 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CCN2)cc1 ZINC001246132250 1037207767 /nfs/dbraw/zinc/20/77/67/1037207767.db2.gz OTRRJIBKRPSNGG-ILWGZMRPSA-N 2 1 377.532 3.715 20 0 GHADMP CC[C@H]1CC[C@H](C2CCC([NH2+]Cc3cc(=O)n4c(n3)C[NH2+]CCC4)CC2)CC1 ZINC001246130433 1037208339 /nfs/dbraw/zinc/20/83/39/1037208339.db2.gz HFSFFPPEGNDSLC-RTWGARKQSA-N 2 1 386.584 3.601 20 0 GHADMP COC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246151600 1037216952 /nfs/dbraw/zinc/21/69/52/1037216952.db2.gz JTJNECZWJKAWOO-VJFUWPCTSA-N 2 1 397.357 3.736 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H](NCc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246165934 1037221045 /nfs/dbraw/zinc/22/10/45/1037221045.db2.gz MGRXJTJYJOVBMM-RBBKRZOGSA-N 2 1 382.527 3.579 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]Cc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246165934 1037221069 /nfs/dbraw/zinc/22/10/69/1037221069.db2.gz MGRXJTJYJOVBMM-RBBKRZOGSA-N 3 1 382.527 3.579 20 0 GHADMP [NH3+]CCCC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCc1ccccc1 ZINC001246190554 1037230505 /nfs/dbraw/zinc/23/05/05/1037230505.db2.gz FYGAEBQJEQORKM-SQNIBIBYSA-N 2 1 386.458 3.938 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[NH2+][C@H](c3ccccc3)C2)c2ccccc12 ZINC001246196430 1037233992 /nfs/dbraw/zinc/23/39/92/1037233992.db2.gz FSFYTYSQAYRZSC-NNWRFLSQSA-N 2 1 391.515 3.740 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CCC3(CCC[NH2+]C3)CC2)c2ccccc12 ZINC001246197855 1037234240 /nfs/dbraw/zinc/23/42/40/1037234240.db2.gz LSKUXHNGZKGQQX-WWAKMMQFSA-N 2 1 383.536 3.559 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC[NH2+]1 ZINC001246271353 1037269006 /nfs/dbraw/zinc/26/90/06/1037269006.db2.gz GWKYHMCJOPXNNK-FSSWDIPSSA-N 2 1 385.596 3.803 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](NC[C@@H]2Cc4ccccc4C[NH2+]2)C3)cc1 ZINC001246276652 1037272629 /nfs/dbraw/zinc/27/26/29/1037272629.db2.gz DTIMIIAORRTZQK-OJJQZRKESA-N 2 1 375.560 3.876 20 0 GHADMP Nc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001246342641 1037303588 /nfs/dbraw/zinc/30/35/88/1037303588.db2.gz IPLNTEIQFXMIOW-QZTJIDSGSA-N 2 1 379.426 3.620 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC001246347680 1037307538 /nfs/dbraw/zinc/30/75/38/1037307538.db2.gz BIFCRZHIGGFJTD-DMUMMCEESA-N 2 1 383.536 3.698 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360007 1037318192 /nfs/dbraw/zinc/31/81/92/1037318192.db2.gz DKNHDLLBTRXZFV-DPLHUUCSSA-N 2 1 397.538 3.800 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360007 1037318207 /nfs/dbraw/zinc/31/82/07/1037318207.db2.gz DKNHDLLBTRXZFV-DPLHUUCSSA-N 2 1 397.538 3.800 20 0 GHADMP C[C@H]1C[C@H](NC2(Cc3ccccc3F)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246380833 1037339969 /nfs/dbraw/zinc/33/99/69/1037339969.db2.gz KSFRFMSLECFCSV-UGKGYDQZSA-N 2 1 381.539 3.743 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246398197 1037358589 /nfs/dbraw/zinc/35/85/89/1037358589.db2.gz VDBAWZIIJMTNFT-QNWVGRARSA-N 2 1 385.502 3.930 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2(c3ccccc3F)CC[NH2+]CC2)cc1 ZINC001246436632 1037399970 /nfs/dbraw/zinc/39/99/70/1037399970.db2.gz LICAZJFLCIEYNF-KRWDZBQOSA-N 2 1 384.495 3.802 20 0 GHADMP Fc1cccc(C2([NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)CC[NH2+]CC2)c1 ZINC001246439577 1037401463 /nfs/dbraw/zinc/40/14/63/1037401463.db2.gz WNXCNHYXAAMPOJ-INIZCTEOSA-N 2 1 378.413 3.969 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(Br)c2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246441775 1037403421 /nfs/dbraw/zinc/40/34/21/1037403421.db2.gz JNSQVJHYOYJOEM-FLQXLDSJSA-N 3 1 392.385 3.804 20 0 GHADMP [NH3+]CC1(N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001246448457 1037409879 /nfs/dbraw/zinc/40/98/79/1037409879.db2.gz SFVZJOYUENYVLT-VDKIKQQVSA-N 2 1 375.560 3.832 20 0 GHADMP CSCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1ccc2ccccc2c1 ZINC001246447944 1037409932 /nfs/dbraw/zinc/40/99/32/1037409932.db2.gz IVVFYWJWUCNRAG-JKWVGCSGSA-N 2 1 383.561 3.773 20 0 GHADMP CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246449558 1037410521 /nfs/dbraw/zinc/41/05/21/1037410521.db2.gz NQFWBFVFQYDUAX-NQIIRXRSSA-N 2 1 397.563 3.933 20 0 GHADMP [NH3+]CC1(N[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001246448452 1037410630 /nfs/dbraw/zinc/41/06/30/1037410630.db2.gz SFVZJOYUENYVLT-JBRSBNLGSA-N 2 1 375.560 3.832 20 0 GHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+]C2(CCCCC2)C1)N1CCCCC1 ZINC001246465326 1037417511 /nfs/dbraw/zinc/41/75/11/1037417511.db2.gz VRRAFEDPHJTFDT-VXKWHMMOSA-N 2 1 383.580 3.655 20 0 GHADMP CC1([NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001246468538 1037419848 /nfs/dbraw/zinc/41/98/48/1037419848.db2.gz YPUPNCATLFFXQB-RPWUZVMVSA-N 2 1 377.576 3.994 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246479079 1037426247 /nfs/dbraw/zinc/42/62/47/1037426247.db2.gz RDXIZBRCIQOMOQ-VQTJNVASSA-N 2 1 386.561 3.920 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1CSc2ccccc2C1)C(=O)OCc1ccccc1 ZINC001246493170 1037439128 /nfs/dbraw/zinc/43/91/28/1037439128.db2.gz HZCZIMDFIFVDNF-WOJBJXKFSA-N 2 1 384.545 3.534 20 0 GHADMP CCCC[C@@H]1C[C@H](NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)CC[NH2+]1 ZINC001246516399 1037451766 /nfs/dbraw/zinc/45/17/66/1037451766.db2.gz SAIGCYYXLSQOIH-NJYVYQBISA-N 2 1 381.992 3.860 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246535120 1037466023 /nfs/dbraw/zinc/46/60/23/1037466023.db2.gz VXGBYMGJUWFIFC-FOVJLYNBSA-N 2 1 381.539 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246535120 1037466045 /nfs/dbraw/zinc/46/60/45/1037466045.db2.gz VXGBYMGJUWFIFC-FOVJLYNBSA-N 2 1 381.539 3.695 20 0 GHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246533429 1037467763 /nfs/dbraw/zinc/46/77/63/1037467763.db2.gz CRCRYUCBAGSEJC-RBUKOAKNSA-N 2 1 377.454 3.938 20 0 GHADMP Brc1ccc([C@@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001246538189 1037470752 /nfs/dbraw/zinc/47/07/52/1037470752.db2.gz ATLBNUWQJNPFMN-XBMUEBEBSA-N 2 1 379.342 3.887 20 0 GHADMP C1COC2(CCC(C3CCC([N@H+]4CCC[C@@]5(CCC[NH2+]C5)C4)CC3)CC2)O1 ZINC001246609327 1037503124 /nfs/dbraw/zinc/50/31/24/1037503124.db2.gz LLVUITZYNADOMO-KITAHSCOSA-N 2 1 376.585 3.944 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC[NH2+]1 ZINC001246674101 1037541452 /nfs/dbraw/zinc/54/14/52/1037541452.db2.gz NLHYVSUKGSKSPI-GTAWCEEGSA-N 2 1 382.527 3.574 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001246679125 1037542355 /nfs/dbraw/zinc/54/23/55/1037542355.db2.gz ZBAVOBIMYSMVHB-KUWBRRTOSA-N 2 1 378.516 3.626 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001246679125 1037542375 /nfs/dbraw/zinc/54/23/75/1037542375.db2.gz ZBAVOBIMYSMVHB-KUWBRRTOSA-N 2 1 378.516 3.626 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246677540 1037544012 /nfs/dbraw/zinc/54/40/12/1037544012.db2.gz VTMFRDDFVMNVLC-RBAQFSTRSA-N 2 1 396.554 3.964 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](C)Cc3ccc(Cl)cc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001246681798 1037544801 /nfs/dbraw/zinc/54/48/01/1037544801.db2.gz JALCEAQAGMZMFE-UVFQYZLESA-N 2 1 399.362 3.789 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)CC1 ZINC001246684656 1037547721 /nfs/dbraw/zinc/54/77/21/1037547721.db2.gz MTQGPVJCWQJURY-WYVVHKHJSA-N 2 1 384.564 3.752 20 0 GHADMP CC[C@H]1C[C@@H]([N@H+]2CCc3cc(C(=O)OC)c(-c4ccsc4)nc3CC2)CC[NH2+]1 ZINC001246705079 1037557827 /nfs/dbraw/zinc/55/78/27/1037557827.db2.gz WFJOFRGIMGJZIB-ROUUACIJSA-N 2 1 399.560 3.528 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)C[C@@H](CC)[NH2+]1 ZINC001246705806 1037558704 /nfs/dbraw/zinc/55/87/04/1037558704.db2.gz BCNHWSQZVACSEE-HMFYCAOWSA-N 2 1 389.609 3.985 20 0 GHADMP c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+](C2CCC4(CCC[NH2+]C4)CC2)C3)nc1 ZINC001246708356 1037562069 /nfs/dbraw/zinc/56/20/69/1037562069.db2.gz FKMPFCWWKBGJAD-RTIYUPOBSA-N 2 1 399.579 3.644 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246712640 1037563529 /nfs/dbraw/zinc/56/35/29/1037563529.db2.gz XKXXDLPRRJCPLI-JFYQVNSESA-N 2 1 387.568 3.642 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246718071 1037570898 /nfs/dbraw/zinc/57/08/98/1037570898.db2.gz HRCWWLJCSWPAOR-OTNCWRBYSA-N 2 1 397.607 3.710 20 0 GHADMP CC[C@H]1CC([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246725470 1037574704 /nfs/dbraw/zinc/57/47/04/1037574704.db2.gz MCMLXPFZFPATNX-YDWJEQILSA-N 2 1 375.601 3.941 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC[NH2+]1 ZINC001246726687 1037575215 /nfs/dbraw/zinc/57/52/15/1037575215.db2.gz ASFVMZAYQSNQIH-MJGOQNOKSA-N 2 1 398.576 3.573 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC[NH2+]1 ZINC001246726687 1037575222 /nfs/dbraw/zinc/57/52/22/1037575222.db2.gz ASFVMZAYQSNQIH-MJGOQNOKSA-N 2 1 398.576 3.573 20 0 GHADMP CC[C@H]1[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724644 1037575817 /nfs/dbraw/zinc/57/58/17/1037575817.db2.gz WDYLTUNNVKCPDV-AWWSKVOZSA-N 2 1 375.601 3.799 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246738797 1037582402 /nfs/dbraw/zinc/58/24/02/1037582402.db2.gz GPWZRZNBXQTAII-WGNYYXNJSA-N 2 1 383.580 3.634 20 0 GHADMP CCCC[C@H]1C[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC[NH2+]1 ZINC001246762241 1037606997 /nfs/dbraw/zinc/60/69/97/1037606997.db2.gz YBQFOJNCAWUJRR-NNXSRULWSA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC[NH2+]1 ZINC001246762241 1037607014 /nfs/dbraw/zinc/60/70/14/1037607014.db2.gz YBQFOJNCAWUJRR-NNXSRULWSA-N 2 1 387.568 3.642 20 0 GHADMP c1nc(C[NH2+]C2CCCC2)c2n1CCC[N@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001246770569 1037612931 /nfs/dbraw/zinc/61/29/31/1037612931.db2.gz KWVUOCHTSWOZFU-LJQANCHMSA-N 2 1 382.577 3.838 20 0 GHADMP c1nc(C[NH2+]C2CCCC2)c2n1CCC[N@@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001246770569 1037612947 /nfs/dbraw/zinc/61/29/47/1037612947.db2.gz KWVUOCHTSWOZFU-LJQANCHMSA-N 2 1 382.577 3.838 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770497 1037613758 /nfs/dbraw/zinc/61/37/58/1037613758.db2.gz ZBSMKVVIMGIQMO-FWWXRXCWSA-N 2 1 396.623 3.926 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770497 1037613763 /nfs/dbraw/zinc/61/37/63/1037613763.db2.gz ZBSMKVVIMGIQMO-FWWXRXCWSA-N 3 1 396.623 3.926 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770497 1037613770 /nfs/dbraw/zinc/61/37/70/1037613770.db2.gz ZBSMKVVIMGIQMO-FWWXRXCWSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770497 1037613781 /nfs/dbraw/zinc/61/37/81/1037613781.db2.gz ZBSMKVVIMGIQMO-FWWXRXCWSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@H]21 ZINC001246770497 1037613789 /nfs/dbraw/zinc/61/37/89/1037613789.db2.gz ZBSMKVVIMGIQMO-FWWXRXCWSA-N 3 1 396.623 3.926 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)c1 ZINC001246783311 1037623461 /nfs/dbraw/zinc/62/34/61/1037623461.db2.gz SYTKREQRQKCVHX-ZFGGDYGUSA-N 2 1 380.532 3.902 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246785204 1037626626 /nfs/dbraw/zinc/62/66/26/1037626626.db2.gz JTWOEWIUDCXWBG-UNMCSNQZSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246785204 1037626628 /nfs/dbraw/zinc/62/66/28/1037626628.db2.gz JTWOEWIUDCXWBG-UNMCSNQZSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246785204 1037626632 /nfs/dbraw/zinc/62/66/32/1037626632.db2.gz JTWOEWIUDCXWBG-UNMCSNQZSA-N 2 1 384.495 3.993 20 0 GHADMP Brc1cccc([C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)CCN2)c1 ZINC001246804355 1037637858 /nfs/dbraw/zinc/63/78/58/1037637858.db2.gz GQIVDXHHLNIWCM-GPJFCIFZSA-N 2 1 392.385 3.708 20 0 GHADMP Brc1cccc([C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)CCN2)c1 ZINC001246804355 1037637863 /nfs/dbraw/zinc/63/78/63/1037637863.db2.gz GQIVDXHHLNIWCM-GPJFCIFZSA-N 2 1 392.385 3.708 20 0 GHADMP COCCCN([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246807806 1037642675 /nfs/dbraw/zinc/64/26/75/1037642675.db2.gz LWPIVHUNJWGBHV-UARRHKHWSA-N 2 1 385.596 3.663 20 0 GHADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246839770 1037667689 /nfs/dbraw/zinc/66/76/89/1037667689.db2.gz LVDDFNLXDIBKMC-ISJGIBHGSA-N 2 1 377.576 3.946 20 0 GHADMP c1ccc(CN2CC[C@H]([N@@H+](Cc3ccccc3)[C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246840680 1037668845 /nfs/dbraw/zinc/66/88/45/1037668845.db2.gz PQSVTLZVCGFTTE-RPWUZVMVSA-N 2 1 375.560 3.905 20 0 GHADMP C[C@@H]1C[C@H](N2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)CC2)C[NH2+]1 ZINC001246839319 1037669228 /nfs/dbraw/zinc/66/92/28/1037669228.db2.gz SUBREZSPTSHJOS-QPPBQGQZSA-N 2 1 393.575 3.551 20 0 GHADMP [NH3+]C1CN([C@@H]2CCC[N@H+](C3CCC(c4ccc(Br)cc4)CC3)C2)C1 ZINC001246874137 1037688138 /nfs/dbraw/zinc/68/81/38/1037688138.db2.gz VQIUCPZRAZLROT-RRWXTXHCSA-N 2 1 392.385 3.583 20 0 GHADMP CC[C@@H]1CC([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)C[C@@H](CC)[NH2+]1 ZINC001246879387 1037693348 /nfs/dbraw/zinc/69/33/48/1037693348.db2.gz MVOJLSJDNHNCKT-WOJBJXKFSA-N 2 1 381.568 3.612 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888062 1037704059 /nfs/dbraw/zinc/70/40/59/1037704059.db2.gz MUDXYPDWXDTJMZ-UXHICEINSA-N 2 1 377.960 3.799 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888062 1037704078 /nfs/dbraw/zinc/70/40/78/1037704078.db2.gz MUDXYPDWXDTJMZ-UXHICEINSA-N 2 1 377.960 3.799 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@@H]5C[NH2+][C@@H]5C4)C[C@@H]23)cc1 ZINC001246916501 1037723131 /nfs/dbraw/zinc/72/31/31/1037723131.db2.gz ACYKXOBBBVIVMU-OCJQLBAASA-N 2 1 387.571 3.655 20 0 GHADMP C[C@H]1CC([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC001246937838 1037741204 /nfs/dbraw/zinc/74/12/04/1037741204.db2.gz NALSCQOFPLDPHO-GJZGRUSLSA-N 2 1 381.358 3.959 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001246945659 1037751026 /nfs/dbraw/zinc/75/10/26/1037751026.db2.gz HRRWJWDHOJTCSO-MRXNPFEDSA-N 2 1 378.557 3.744 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N(Cc2ccccn2)[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001246951310 1037755282 /nfs/dbraw/zinc/75/52/82/1037755282.db2.gz GSAIQESSFSAGJK-NDBXHCKUSA-N 2 1 390.575 3.831 20 0 GHADMP CC1(C)CC([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC(C)(C)N1O ZINC001246956699 1037769080 /nfs/dbraw/zinc/76/90/80/1037769080.db2.gz SYYZMBSEZUKCPP-UHFFFAOYSA-N 2 1 381.511 3.930 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccc(F)cc2)C2CC[NH2+]CC2)c1 ZINC001246958423 1037773899 /nfs/dbraw/zinc/77/38/99/1037773899.db2.gz OXMDKXQYBBHNET-KRWDZBQOSA-N 2 1 384.495 3.798 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)C1 ZINC001246958761 1037774052 /nfs/dbraw/zinc/77/40/52/1037774052.db2.gz GTPKSCHJKOVKQJ-LAUBAEHRSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2cccc(OC)c2)C2CC[NH2+]CC2)c1 ZINC001246959760 1037776207 /nfs/dbraw/zinc/77/62/07/1037776207.db2.gz SJQGVSAHFKWJAO-SFHVURJKSA-N 2 1 396.531 3.667 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CCc3cccc(F)c3C2)c1 ZINC001246960392 1037776380 /nfs/dbraw/zinc/77/63/80/1037776380.db2.gz VJALKPSRBVPQDQ-NRFANRHFSA-N 2 1 396.506 3.724 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246960929 1037779786 /nfs/dbraw/zinc/77/97/86/1037779786.db2.gz FAHTWASKBBAYRB-MJGOQNOKSA-N 2 1 392.515 3.510 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccccc2F)C2CC[NH2+]CC2)c1 ZINC001246960457 1037780452 /nfs/dbraw/zinc/78/04/52/1037780452.db2.gz VSEOUPCWIVMJOQ-QGZVFWFLSA-N 2 1 384.495 3.798 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246960179 1037780601 /nfs/dbraw/zinc/78/06/01/1037780601.db2.gz ALUCPBRESKLWBC-FQEVSTJZSA-N 2 1 391.531 3.699 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246962644 1037785262 /nfs/dbraw/zinc/78/52/62/1037785262.db2.gz JWHHGRLBLKTSLY-HOTGVXAUSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246962644 1037785284 /nfs/dbraw/zinc/78/52/84/1037785284.db2.gz JWHHGRLBLKTSLY-HOTGVXAUSA-N 2 1 380.479 3.641 20 0 GHADMP C[N@H+]1CCC[C@H](N(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246963231 1037785457 /nfs/dbraw/zinc/78/54/57/1037785457.db2.gz NKUYAHHEOBJVJL-INIZCTEOSA-N 2 1 387.465 3.883 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+]([C@H]2C[C@H]4C[NH2+]C[C@H]4C2)C3)cc1 ZINC001246996109 1037820143 /nfs/dbraw/zinc/82/01/43/1037820143.db2.gz QVVAICZQLIALQZ-BKFWDETESA-N 2 1 387.571 3.782 20 0 GHADMP C[C@H]1C[C@@H](N2CCC3(CC2)[NH2+]CCc2ccccc23)C[N@H+]1Cc1ccccc1 ZINC001247001977 1037826506 /nfs/dbraw/zinc/82/65/06/1037826506.db2.gz KEDBWJYWVNJWSQ-NZQKXSOJSA-N 2 1 375.560 3.786 20 0 GHADMP [NH3+]CCC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1 ZINC001247507119 1038231834 /nfs/dbraw/zinc/23/18/34/1038231834.db2.gz IBDREOVXNRLXGA-AWEZNQCLSA-N 2 1 393.369 3.681 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CO[C@@H]3c2ccc(F)cc2)no1 ZINC001247697599 1038336608 /nfs/dbraw/zinc/33/66/08/1038336608.db2.gz GVAUOGKQYFLRDA-RTBURBONSA-N 2 1 382.439 3.624 20 0 GHADMP Fc1cc(-c2noc(C[C@H]3CCC[NH2+]CC3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247807403 1038394836 /nfs/dbraw/zinc/39/48/36/1038394836.db2.gz ZBPODOQWNXCNRR-IFXJQAMLSA-N 2 1 381.455 3.540 20 0 GHADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)c3ccc(OC)nc23)CC1 ZINC001232648703 1038436365 /nfs/dbraw/zinc/43/63/65/1038436365.db2.gz HDNVQOPACZNBRO-UHFFFAOYSA-N 2 1 392.341 3.922 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)c3ccc(OC)nc23)CC1 ZINC001232648703 1038436371 /nfs/dbraw/zinc/43/63/71/1038436371.db2.gz HDNVQOPACZNBRO-UHFFFAOYSA-N 2 1 392.341 3.922 20 0 GHADMP c1cc(-c2noc([C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)cc(-c2ccncc2)c1 ZINC001247905488 1038479315 /nfs/dbraw/zinc/47/93/15/1038479315.db2.gz ORZVSWLFZLXASZ-FQEVSTJZSA-N 2 1 389.503 3.730 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232821308 1038575734 /nfs/dbraw/zinc/57/57/34/1038575734.db2.gz PQNOFNUDBZLFGR-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232821308 1038575736 /nfs/dbraw/zinc/57/57/36/1038575736.db2.gz PQNOFNUDBZLFGR-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232821308 1038575738 /nfs/dbraw/zinc/57/57/38/1038575738.db2.gz PQNOFNUDBZLFGR-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232821308 1038575740 /nfs/dbraw/zinc/57/57/40/1038575740.db2.gz PQNOFNUDBZLFGR-FQEVSTJZSA-N 2 1 376.932 3.539 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001252384607 1038969372 /nfs/dbraw/zinc/96/93/72/1038969372.db2.gz RNEYDAHOKOPTHA-YADHBBJMSA-N 2 1 382.548 3.920 20 0 GHADMP c1cc2c(c(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)c1)CCO2 ZINC001233274835 1039044512 /nfs/dbraw/zinc/04/45/12/1039044512.db2.gz FECOSKQGRCIBCO-DHLKQENFSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)c1)CCO2 ZINC001233274835 1039044531 /nfs/dbraw/zinc/04/45/31/1039044531.db2.gz FECOSKQGRCIBCO-DHLKQENFSA-N 2 1 396.575 3.582 20 0 GHADMP c1cc2c(c(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)c1)CCO2 ZINC001233274835 1039044549 /nfs/dbraw/zinc/04/45/49/1039044549.db2.gz FECOSKQGRCIBCO-DHLKQENFSA-N 2 1 396.575 3.582 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001233297374 1039088237 /nfs/dbraw/zinc/08/82/37/1039088237.db2.gz WPTLQGQOPOWMCZ-ZDCYNKBQSA-N 2 1 390.527 3.745 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252917783 1039257180 /nfs/dbraw/zinc/25/71/80/1039257180.db2.gz YBOPBWKTNAZAFK-SDHOMARFSA-N 2 1 394.559 3.741 20 0 GHADMP O[C@]1(C[NH2+][C@H]2CC[C@H](OCc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917783 1039257190 /nfs/dbraw/zinc/25/71/90/1039257190.db2.gz YBOPBWKTNAZAFK-SDHOMARFSA-N 2 1 394.559 3.741 20 0 GHADMP C[C@@H]1OC2(CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001252938833 1039283043 /nfs/dbraw/zinc/28/30/43/1039283043.db2.gz YWRVCEBHCGQSAW-GBXCKJPGSA-N 2 1 392.543 3.706 20 0 GHADMP C[C@@H]1OC2(CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001252938833 1039283054 /nfs/dbraw/zinc/28/30/54/1039283054.db2.gz YWRVCEBHCGQSAW-GBXCKJPGSA-N 2 1 392.543 3.706 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cncc(Cl)n2)CC3)c1 ZINC001233448057 1039332139 /nfs/dbraw/zinc/33/21/39/1039332139.db2.gz BSGNKDKJWFFWSS-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cncc(Cl)n2)CC3)c1 ZINC001233448057 1039332150 /nfs/dbraw/zinc/33/21/50/1039332150.db2.gz BSGNKDKJWFFWSS-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCc3cc(-c4ccncc4)ccc32)CC1 ZINC001253185875 1039466380 /nfs/dbraw/zinc/46/63/80/1039466380.db2.gz JCNVEKUHSIOECJ-HSZRJFAPSA-N 2 1 393.575 3.731 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1-n1ccnc1 ZINC001234075094 1039811936 /nfs/dbraw/zinc/81/19/36/1039811936.db2.gz GPRUVCXASSQGBO-JOCHJYFZSA-N 2 1 390.531 3.835 20 0 GHADMP C[N@@H+](Cc1cccc2cccnc21)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254038805 1039968824 /nfs/dbraw/zinc/96/88/24/1039968824.db2.gz OECYJRNHHRJDLS-UHFFFAOYSA-N 2 1 375.516 3.694 20 0 GHADMP O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001234395302 1039999834 /nfs/dbraw/zinc/99/98/34/1039999834.db2.gz DNHQEEFPKWXGTH-XZOQPEGZSA-N 2 1 398.595 3.701 20 0 GHADMP C[N@H+]1CCc2c(cccc2O[C@@H]2CCCN(Cc3cnc(Cl)s3)C2)C1 ZINC001234422374 1040023024 /nfs/dbraw/zinc/02/30/24/1040023024.db2.gz IDHAXAVOXVFBEY-OAHLLOKOSA-N 2 1 377.941 3.828 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)CC1 ZINC001254512029 1040289578 /nfs/dbraw/zinc/28/95/78/1040289578.db2.gz IRMXPXKVBHGGHB-IBGZPJMESA-N 2 1 395.385 3.862 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)CC1 ZINC001254518894 1040293231 /nfs/dbraw/zinc/29/32/31/1040293231.db2.gz PYUSWKICLNHUSW-CTNGQTDRSA-N 2 1 395.591 3.661 20 0 GHADMP C[N@@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001254533626 1040305187 /nfs/dbraw/zinc/30/51/87/1040305187.db2.gz NVGFEWOBATYZHV-KRWDZBQOSA-N 2 1 384.442 3.964 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001254533626 1040305202 /nfs/dbraw/zinc/30/52/02/1040305202.db2.gz NVGFEWOBATYZHV-KRWDZBQOSA-N 2 1 384.442 3.964 20 0 GHADMP CCCC[N@H+](CC)CC[NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254715728 1040474578 /nfs/dbraw/zinc/47/45/78/1040474578.db2.gz YRCQQPSSFATWQJ-UHFFFAOYSA-N 2 1 397.604 3.647 20 0 GHADMP CCCC[N@@H+](CC)CC[NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254715728 1040474585 /nfs/dbraw/zinc/47/45/85/1040474585.db2.gz YRCQQPSSFATWQJ-UHFFFAOYSA-N 2 1 397.604 3.647 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CCCc1ccccc1OC)CC2 ZINC001235019840 1040511498 /nfs/dbraw/zinc/51/14/98/1040511498.db2.gz PAHCUGGQVFLZBO-UHFFFAOYSA-N 2 1 380.532 3.773 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CCCc1ccccc1OC)CC2 ZINC001235019840 1040511511 /nfs/dbraw/zinc/51/15/11/1040511511.db2.gz PAHCUGGQVFLZBO-UHFFFAOYSA-N 2 1 380.532 3.773 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-n4ccnc4)c(Br)c3)C2)CC1 ZINC001235034609 1040527560 /nfs/dbraw/zinc/52/75/60/1040527560.db2.gz QDZIJDRTZAQSPE-UHFFFAOYSA-N 2 1 389.341 3.553 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001254768646 1040530227 /nfs/dbraw/zinc/53/02/27/1040530227.db2.gz JVQPEJHPWCMDBU-FHWLQOOXSA-N 2 1 377.573 3.758 20 0 GHADMP Brc1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)c(N2CCCCC2)c1 ZINC001235088225 1040577699 /nfs/dbraw/zinc/57/76/99/1040577699.db2.gz DZWSPMCHTFUFRS-UHFFFAOYSA-N 2 1 378.358 3.625 20 0 GHADMP FC(F)(F)Oc1ccc(Br)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094000 1040584035 /nfs/dbraw/zinc/58/40/35/1040584035.db2.gz WGTIEPJEGUGRBO-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP FC(F)(F)Oc1ccc(Br)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094000 1040584049 /nfs/dbraw/zinc/58/40/49/1040584049.db2.gz WGTIEPJEGUGRBO-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc21 ZINC001235115662 1040604954 /nfs/dbraw/zinc/60/49/54/1040604954.db2.gz BASWEANUUCRPHZ-UHFFFAOYSA-N 2 1 394.519 3.701 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235156240 1040648373 /nfs/dbraw/zinc/64/83/73/1040648373.db2.gz NIJJLXGDPVMHSN-SFHVURJKSA-N 2 1 398.332 3.954 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@@H]4CC(=O)C[C@@H]4C2)CC3)c1 ZINC001254952657 1040687737 /nfs/dbraw/zinc/68/77/37/1040687737.db2.gz MIFJWYVVBSIKJE-AERCQKQUSA-N 2 1 382.548 3.741 20 0 GHADMP [NH3+]Cc1cccc(-c2cncn2C2C[C@@H]3COC[C@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001254999191 1040719904 /nfs/dbraw/zinc/71/99/04/1040719904.db2.gz CZYDUPVBBHJNLL-NOTZXAQLSA-N 2 1 388.515 3.613 20 0 GHADMP [NH3+]Cc1cccc(-c2cncn2C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001254999191 1040719916 /nfs/dbraw/zinc/71/99/16/1040719916.db2.gz CZYDUPVBBHJNLL-NOTZXAQLSA-N 2 1 388.515 3.613 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2C[C@@H]3COC[C@H](C2)N3Cc2ccccc2)CC1 ZINC001254999897 1040720795 /nfs/dbraw/zinc/72/07/95/1040720795.db2.gz YDPGYANCTAZXPC-HZQGTMLFSA-N 2 1 383.580 3.543 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(C)(C)C)s1 ZINC001255029797 1040740772 /nfs/dbraw/zinc/74/07/72/1040740772.db2.gz IAHQFEOUUASSJF-QGZVFWFLSA-N 2 1 394.629 3.603 20 0 GHADMP C[C@@H](CO)C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069311 1040763974 /nfs/dbraw/zinc/76/39/74/1040763974.db2.gz JMPCYTHWYDIDKI-KMRPREKFSA-N 2 1 378.560 3.969 20 0 GHADMP COC(=O)CC[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255070215 1040764939 /nfs/dbraw/zinc/76/49/39/1040764939.db2.gz UKLXOELVQWGRKS-JBRSBNLGSA-N 2 1 392.543 3.904 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(C)ccc1Cl)C2 ZINC001235324472 1040794270 /nfs/dbraw/zinc/79/42/70/1040794270.db2.gz OAUOYABNNIWWCS-SIKLNZKXSA-N 2 1 390.955 3.793 20 0 GHADMP Cc1cccc(N([C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001255112561 1040798563 /nfs/dbraw/zinc/79/85/63/1040798563.db2.gz APBJVQBEGHIIJP-UBFVSLLYSA-N 2 1 391.559 3.597 20 0 GHADMP Brc1ccc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c(Br)c1 ZINC001235338182 1040808676 /nfs/dbraw/zinc/80/86/76/1040808676.db2.gz CXOTVEWHTGRJAD-UHFFFAOYSA-N 2 1 388.147 3.643 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccccc3-c3ccccc3)C[C@@H]1CC[NH2+]CC2 ZINC001235348558 1040823122 /nfs/dbraw/zinc/82/31/22/1040823122.db2.gz CXWIHAZATKWGOT-URXFXBBRSA-N 2 1 378.516 3.718 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](CC2(c4ccccc4)CCOCC2)C3)cc1 ZINC001235348571 1040823425 /nfs/dbraw/zinc/82/34/25/1040823425.db2.gz HCFHDIZAFLJYHO-ILBGXUMGSA-N 2 1 376.544 3.814 20 0 GHADMP COc1ccc(C2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)nc1 ZINC001255132489 1040829204 /nfs/dbraw/zinc/82/92/04/1040829204.db2.gz KTOHYIDYZMHGSK-MZADTFQBSA-N 2 1 377.532 3.907 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001255131436 1040829242 /nfs/dbraw/zinc/82/92/42/1040829242.db2.gz DKKXWDOXENGJMS-GOAPXITPSA-N 2 1 381.564 3.609 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2(c4cccnc4)CCOCC2)C3)cc1 ZINC001255133808 1040831444 /nfs/dbraw/zinc/83/14/44/1040831444.db2.gz VUWLGGVFFKNURX-BKFWDETESA-N 2 1 391.559 3.915 20 0 GHADMP FC(F)(F)c1ncncc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255134369 1040833304 /nfs/dbraw/zinc/83/33/04/1040833304.db2.gz BLOWALPOFHNMQA-NNZMDNLPSA-N 2 1 376.426 3.781 20 0 GHADMP Oc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1OC(F)(F)F ZINC001235357921 1040838894 /nfs/dbraw/zinc/83/88/94/1040838894.db2.gz GPYVMESTNOJCDB-YLJYHZDGSA-N 2 1 392.421 3.870 20 0 GHADMP Oc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1OC(F)(F)F ZINC001235357921 1040838902 /nfs/dbraw/zinc/83/89/02/1040838902.db2.gz GPYVMESTNOJCDB-YLJYHZDGSA-N 2 1 392.421 3.870 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@@H]21 ZINC001255138832 1040842057 /nfs/dbraw/zinc/84/20/57/1040842057.db2.gz HPZGPKSZSKOSJR-SJSRKZJXSA-N 2 1 395.591 3.761 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@@H]21 ZINC001255138832 1040842068 /nfs/dbraw/zinc/84/20/68/1040842068.db2.gz HPZGPKSZSKOSJR-SJSRKZJXSA-N 2 1 395.591 3.761 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@@H]21 ZINC001255138832 1040842084 /nfs/dbraw/zinc/84/20/84/1040842084.db2.gz HPZGPKSZSKOSJR-SJSRKZJXSA-N 2 1 395.591 3.761 20 0 GHADMP CC(=O)N1CCC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255140485 1040847394 /nfs/dbraw/zinc/84/73/94/1040847394.db2.gz JQISDHVKYKMWCA-JKHIJQBDSA-N 2 1 381.564 3.516 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001255142405 1040850039 /nfs/dbraw/zinc/85/00/39/1040850039.db2.gz QJTCVAADZLYLNC-LPIPBFEGSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001255142405 1040850068 /nfs/dbraw/zinc/85/00/68/1040850068.db2.gz QJTCVAADZLYLNC-LPIPBFEGSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001255142405 1040850086 /nfs/dbraw/zinc/85/00/86/1040850086.db2.gz QJTCVAADZLYLNC-LPIPBFEGSA-N 2 1 397.563 3.637 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255148834 1040863335 /nfs/dbraw/zinc/86/33/35/1040863335.db2.gz CFGDZRYULWPDKG-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255148834 1040863343 /nfs/dbraw/zinc/86/33/43/1040863343.db2.gz CFGDZRYULWPDKG-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)nc1 ZINC001255148834 1040863359 /nfs/dbraw/zinc/86/33/59/1040863359.db2.gz CFGDZRYULWPDKG-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001255148834 1040863376 /nfs/dbraw/zinc/86/33/76/1040863376.db2.gz CFGDZRYULWPDKG-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc(-c4cnccn4)cc2)CC3)cc1 ZINC001235368637 1040867092 /nfs/dbraw/zinc/86/70/92/1040867092.db2.gz KFJUDNJMFVPLMM-ILBGXUMGSA-N 2 1 384.527 3.897 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2cccc(-c4ncccn4)c2)CC3)cc1 ZINC001235368207 1040867174 /nfs/dbraw/zinc/86/71/74/1040867174.db2.gz JAECOUWTKNXZFV-ZCYQVOJMSA-N 2 1 384.527 3.897 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc2c1OCC=C2 ZINC001235369779 1040868285 /nfs/dbraw/zinc/86/82/85/1040868285.db2.gz UDXKAZMIJIHKED-WIOPSUGQSA-N 2 1 390.527 3.854 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc2c1OCC=C2 ZINC001235369779 1040868301 /nfs/dbraw/zinc/86/83/01/1040868301.db2.gz UDXKAZMIJIHKED-WIOPSUGQSA-N 2 1 390.527 3.854 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001255149735 1040868542 /nfs/dbraw/zinc/86/85/42/1040868542.db2.gz MZZGCWJEDFJWNH-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001255149735 1040868556 /nfs/dbraw/zinc/86/85/56/1040868556.db2.gz MZZGCWJEDFJWNH-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001255149735 1040868570 /nfs/dbraw/zinc/86/85/70/1040868570.db2.gz MZZGCWJEDFJWNH-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001255149735 1040868578 /nfs/dbraw/zinc/86/85/78/1040868578.db2.gz MZZGCWJEDFJWNH-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC001255187262 1040893219 /nfs/dbraw/zinc/89/32/19/1040893219.db2.gz CCSVNMSLUXRPSP-IROFBDHCSA-N 2 1 397.563 3.639 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC001255213251 1040907807 /nfs/dbraw/zinc/90/78/07/1040907807.db2.gz FRONSWSRJFMNIM-JKHIJQBDSA-N 2 1 397.563 3.661 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001255213251 1040907808 /nfs/dbraw/zinc/90/78/08/1040907808.db2.gz FRONSWSRJFMNIM-JKHIJQBDSA-N 2 1 397.563 3.661 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)cc2)cc1 ZINC001235409906 1040919783 /nfs/dbraw/zinc/91/97/83/1040919783.db2.gz XRQGSJXOARNFOB-XZOQPEGZSA-N 2 1 383.511 3.987 20 0 GHADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2nsnc21 ZINC001235429670 1040931336 /nfs/dbraw/zinc/93/13/36/1040931336.db2.gz CMPWWTJVCBJTSL-OLZOCXBDSA-N 2 1 395.370 3.665 20 0 GHADMP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431200 1040931840 /nfs/dbraw/zinc/93/18/40/1040931840.db2.gz MQBNVSHHCRNTDR-JKSUJKDBSA-N 2 1 381.358 3.978 20 0 GHADMP Brc1ccc2oc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433194 1040934489 /nfs/dbraw/zinc/93/44/89/1040934489.db2.gz XUTGIRHEHRRPAC-KBPBESRZSA-N 2 1 378.314 3.802 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)cc1 ZINC001255383700 1040973620 /nfs/dbraw/zinc/97/36/20/1040973620.db2.gz MHOGQTLBRJTGGP-QHCPKHFHSA-N 2 1 385.596 3.666 20 0 GHADMP CC[C@H]1[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001235526380 1040975495 /nfs/dbraw/zinc/97/54/95/1040975495.db2.gz PQBFVRQEQQQUKS-IRLDBZIGSA-N 2 1 387.593 3.539 20 0 GHADMP O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255389231 1040977236 /nfs/dbraw/zinc/97/72/36/1040977236.db2.gz CTLBVGIWCKFVEA-XZOQPEGZSA-N 2 1 377.532 3.545 20 0 GHADMP C[NH+](C)CCOc1ccccc1CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389843 1040977860 /nfs/dbraw/zinc/97/78/60/1040977860.db2.gz UOTMKHPZSXYXRX-QHCPKHFHSA-N 2 1 381.564 3.771 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389843 1040977862 /nfs/dbraw/zinc/97/78/62/1040977862.db2.gz UOTMKHPZSXYXRX-QHCPKHFHSA-N 3 1 381.564 3.771 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389843 1040977864 /nfs/dbraw/zinc/97/78/64/1040977864.db2.gz UOTMKHPZSXYXRX-QHCPKHFHSA-N 3 1 381.564 3.771 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389663 1040978108 /nfs/dbraw/zinc/97/81/08/1040978108.db2.gz PDLGQKMDRVFPSF-IFMALSPDSA-N 2 1 382.504 3.641 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389663 1040978113 /nfs/dbraw/zinc/97/81/13/1040978113.db2.gz PDLGQKMDRVFPSF-IFMALSPDSA-N 2 1 382.504 3.641 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3(Cc4cccnc4)CCOCC3)CC2)cc1 ZINC001255393679 1040981042 /nfs/dbraw/zinc/98/10/42/1040981042.db2.gz TVWNWYXECGHGDD-HSZRJFAPSA-N 2 1 379.548 3.818 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255394051 1040981463 /nfs/dbraw/zinc/98/14/63/1040981463.db2.gz VGYRHJUGNYXAGJ-QHCPKHFHSA-N 2 1 393.575 4.000 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255409547 1040997703 /nfs/dbraw/zinc/99/77/03/1040997703.db2.gz HAWZULHNZWVHIP-LEWJYISDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255409547 1040997709 /nfs/dbraw/zinc/99/77/09/1040997709.db2.gz HAWZULHNZWVHIP-LEWJYISDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255409547 1040997716 /nfs/dbraw/zinc/99/77/16/1040997716.db2.gz HAWZULHNZWVHIP-LEWJYISDSA-N 2 1 381.520 3.598 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659195 1041108169 /nfs/dbraw/zinc/10/81/69/1041108169.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659195 1041108190 /nfs/dbraw/zinc/10/81/90/1041108190.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@H]3[C@@H](C)CNCC3(F)F)C[C@@H]21 ZINC001235659195 1041108213 /nfs/dbraw/zinc/10/82/13/1041108213.db2.gz CXVXJEUNYACOAU-JMMIECQRSA-N 2 1 377.523 3.588 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001255596699 1041156047 /nfs/dbraw/zinc/15/60/47/1041156047.db2.gz VPBGFNNXFDCAAA-KRWDZBQOSA-N 2 1 379.932 3.599 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680554 1041211550 /nfs/dbraw/zinc/21/15/50/1041211550.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001255680554 1041211565 /nfs/dbraw/zinc/21/15/65/1041211565.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001255680554 1041211577 /nfs/dbraw/zinc/21/15/77/1041211577.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 2 1 382.596 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680554 1041211582 /nfs/dbraw/zinc/21/15/82/1041211582.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 3 1 382.596 3.629 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680554 1041211594 /nfs/dbraw/zinc/21/15/94/1041211594.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680554 1041211608 /nfs/dbraw/zinc/21/16/08/1041211608.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001255680554 1041211620 /nfs/dbraw/zinc/21/16/20/1041211620.db2.gz ZNDUINNQBYODKM-AFLWKGAOSA-N 3 1 382.596 3.629 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC001255704951 1041226026 /nfs/dbraw/zinc/22/60/26/1041226026.db2.gz HYNVXFNARZPSAF-AEFFLSMTSA-N 2 1 390.490 3.847 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@H](C)CSc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001255743771 1041263657 /nfs/dbraw/zinc/26/36/57/1041263657.db2.gz VSSGZMRHFUVFII-OAHLLOKOSA-N 2 1 376.545 3.861 20 0 GHADMP Clc1ccc([C@H]2C[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CCN2)cc1 ZINC001235789400 1041281122 /nfs/dbraw/zinc/28/11/22/1041281122.db2.gz DGTSKBLAVXNMOF-OAQYLSRUSA-N 2 1 380.923 3.544 20 0 GHADMP Clc1ccc([C@H]2CN(Cc3cn4c5c3cccc5C[NH2+]CC4)CC[NH2+]2)cc1 ZINC001235789400 1041281137 /nfs/dbraw/zinc/28/11/37/1041281137.db2.gz DGTSKBLAVXNMOF-OAQYLSRUSA-N 2 1 380.923 3.544 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001235796763 1041297893 /nfs/dbraw/zinc/29/78/93/1041297893.db2.gz VQHJVJNAJBKKFA-LEWJYISDSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001235796763 1041297901 /nfs/dbraw/zinc/29/79/01/1041297901.db2.gz VQHJVJNAJBKKFA-LEWJYISDSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001235796763 1041297918 /nfs/dbraw/zinc/29/79/18/1041297918.db2.gz VQHJVJNAJBKKFA-LEWJYISDSA-N 2 1 396.604 3.625 20 0 GHADMP C[N@@H+](Cc1ccsc1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235840317 1041368314 /nfs/dbraw/zinc/36/83/14/1041368314.db2.gz JOAMPVREXOPIEN-UHFFFAOYSA-N 2 1 380.355 3.552 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001255903768 1041386182 /nfs/dbraw/zinc/38/61/82/1041386182.db2.gz NLTMUHNFKWRPOL-LJQANCHMSA-N 2 1 391.531 3.561 20 0 GHADMP Clc1cccc([C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C2)c1Cl ZINC001235884700 1041410855 /nfs/dbraw/zinc/41/08/55/1041410855.db2.gz LSHDCWAMAUSGRZ-MRXNPFEDSA-N 2 1 391.346 3.788 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(OCC2CCOCC2)c(OC)c1 ZINC001255954573 1041435076 /nfs/dbraw/zinc/43/50/76/1041435076.db2.gz XUNCVZTYMOCQAR-GOSISDBHSA-N 2 1 378.557 3.711 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001255964451 1041444280 /nfs/dbraw/zinc/44/42/80/1041444280.db2.gz YHRINMUIXDXXCP-AZUAARDMSA-N 2 1 380.527 3.740 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001255964451 1041444292 /nfs/dbraw/zinc/44/42/92/1041444292.db2.gz YHRINMUIXDXXCP-AZUAARDMSA-N 2 1 380.527 3.740 20 0 GHADMP COCCC[N@H+](Cc1ccc(OCc2ccccc2)cc1OC)C1CC[NH2+]CC1 ZINC001235937664 1041444376 /nfs/dbraw/zinc/44/43/76/1041444376.db2.gz OXCAIGKEANJLPP-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1OC)C1CC[NH2+]CC1 ZINC001235937664 1041444385 /nfs/dbraw/zinc/44/43/85/1041444385.db2.gz OXCAIGKEANJLPP-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COCC[N@@H+](Cc1ccc2cc(Br)ccc2c1)C1CC[NH2+]CC1 ZINC001235945046 1041451435 /nfs/dbraw/zinc/45/14/35/1041451435.db2.gz REOBTQKPOVHUMI-UHFFFAOYSA-N 2 1 377.326 3.803 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255978977 1041453206 /nfs/dbraw/zinc/45/32/06/1041453206.db2.gz JXWCPMRRPUYUKW-QAQDUYKDSA-N 2 1 389.506 3.692 20 0 GHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC001235960282 1041467386 /nfs/dbraw/zinc/46/73/86/1041467386.db2.gz SLUCMNKANNCPIT-HGKCTWBKSA-N 2 1 377.410 3.816 20 0 GHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC001235960282 1041467395 /nfs/dbraw/zinc/46/73/95/1041467395.db2.gz SLUCMNKANNCPIT-HGKCTWBKSA-N 2 1 377.410 3.816 20 0 GHADMP CCOC(=O)N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001256033684 1041484730 /nfs/dbraw/zinc/48/47/30/1041484730.db2.gz YPFACWQRNQBYOP-QGZVKYPTSA-N 2 1 391.581 3.511 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001256033684 1041484747 /nfs/dbraw/zinc/48/47/47/1041484747.db2.gz YPFACWQRNQBYOP-QGZVKYPTSA-N 2 1 391.581 3.511 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001256033684 1041484777 /nfs/dbraw/zinc/48/47/77/1041484777.db2.gz YPFACWQRNQBYOP-QGZVKYPTSA-N 2 1 391.581 3.511 20 0 GHADMP O=C(Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1)OCc1ccccc1 ZINC001256069561 1041505693 /nfs/dbraw/zinc/50/56/93/1041505693.db2.gz HBVPCRWEWYPINH-UHFFFAOYSA-N 2 1 378.516 3.689 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)ccc21 ZINC001236080033 1041524560 /nfs/dbraw/zinc/52/45/60/1041524560.db2.gz PVOVMLQCJCXVAQ-FQEVSTJZSA-N 2 1 376.548 3.669 20 0 GHADMP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079378 1041524839 /nfs/dbraw/zinc/52/48/39/1041524839.db2.gz RXKFMQICLMSAQR-FQEVSTJZSA-N 2 1 385.939 3.526 20 0 GHADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079378 1041524844 /nfs/dbraw/zinc/52/48/44/1041524844.db2.gz RXKFMQICLMSAQR-FQEVSTJZSA-N 2 1 385.939 3.526 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC001236083078 1041525754 /nfs/dbraw/zinc/52/57/54/1041525754.db2.gz NKFRISFZOKWUFH-UHFFFAOYSA-N 2 1 377.454 3.709 20 0 GHADMP C[N@@H+](CCCC[NH3+])CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001236141748 1041566071 /nfs/dbraw/zinc/56/60/71/1041566071.db2.gz LLWCHPPJKNWMSU-UHFFFAOYSA-N 3 1 389.584 3.525 20 0 GHADMP c1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(C[C@@H]3Cc4ccccc4C[NH2+]3)C2)cc1 ZINC001236210947 1041622802 /nfs/dbraw/zinc/62/28/02/1041622802.db2.gz YMJBVSSYOQFOTH-ZCYQVOJMSA-N 2 1 375.560 3.830 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001236228201 1041634254 /nfs/dbraw/zinc/63/42/54/1041634254.db2.gz RXVCBQZCTPGOJS-UHFFFAOYSA-N 3 1 392.591 3.711 20 0 GHADMP CN1CCN(c2ccccc2C[N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001236228201 1041634257 /nfs/dbraw/zinc/63/42/57/1041634257.db2.gz RXVCBQZCTPGOJS-UHFFFAOYSA-N 2 1 392.591 3.711 20 0 GHADMP CN1CCN(c2ccccc2C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)CC1 ZINC001236228201 1041634258 /nfs/dbraw/zinc/63/42/58/1041634258.db2.gz RXVCBQZCTPGOJS-UHFFFAOYSA-N 2 1 392.591 3.711 20 0 GHADMP C[NH+]1CCC([N@@H+]2CCCC[C@]3(CCCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001256202810 1041645864 /nfs/dbraw/zinc/64/58/64/1041645864.db2.gz MNMDMIVQVSRPSB-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCC([N@H+]2CCCC[C@]3(CCCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001256202810 1041645871 /nfs/dbraw/zinc/64/58/71/1041645871.db2.gz MNMDMIVQVSRPSB-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)c1 ZINC001236305102 1041666405 /nfs/dbraw/zinc/66/64/05/1041666405.db2.gz SQQDJGHNRRFSIY-NRFANRHFSA-N 2 1 379.548 3.560 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001236382643 1041691462 /nfs/dbraw/zinc/69/14/62/1041691462.db2.gz OXQWVILJNAPIPR-IRJFHVNHSA-N 2 1 376.516 3.607 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccc(N3CCCC3)nc2)CC2CC[NH2+]CC2)cc1 ZINC001236383587 1041691617 /nfs/dbraw/zinc/69/16/17/1041691617.db2.gz USZCVIGIXHQHLQ-UHFFFAOYSA-N 2 1 382.527 3.823 20 0 GHADMP COc1cnc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(Cl)c1 ZINC001236384782 1041692606 /nfs/dbraw/zinc/69/26/06/1041692606.db2.gz CKUXUWQXIQJUJO-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COc1cnc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(Cl)c1 ZINC001236384782 1041692611 /nfs/dbraw/zinc/69/26/11/1041692611.db2.gz CKUXUWQXIQJUJO-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COc1nc(OC)c(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1C ZINC001236385488 1041693278 /nfs/dbraw/zinc/69/32/78/1041693278.db2.gz CITJFBHOLUXTHN-UHFFFAOYSA-N 2 1 387.499 3.548 20 0 GHADMP Brc1coc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001278929023 1041701581 /nfs/dbraw/zinc/70/15/81/1041701581.db2.gz PEJBKQXOYDHQRI-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP Brc1coc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001278929023 1041701585 /nfs/dbraw/zinc/70/15/85/1041701585.db2.gz PEJBKQXOYDHQRI-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)C2CCN(c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC001256316892 1041701669 /nfs/dbraw/zinc/70/16/69/1041701669.db2.gz YXCNRMDKKSPDJJ-UHFFFAOYSA-N 2 1 399.970 3.974 20 0 GHADMP c1cc(-c2cccc(C[N@@H+](CCN3CCOCC3)CC3CC[NH2+]CC3)c2)cs1 ZINC001236401450 1041702593 /nfs/dbraw/zinc/70/25/93/1041702593.db2.gz UVICQIGPFBVKDR-UHFFFAOYSA-N 2 1 399.604 3.549 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccccc2-n2ccnc2C)C2CC[NH2+]CC2)cc1 ZINC001236442237 1041714290 /nfs/dbraw/zinc/71/42/90/1041714290.db2.gz KYCRRJICLSHXJB-UHFFFAOYSA-N 2 1 390.531 3.944 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH2+]CC1 ZINC001236459949 1041722701 /nfs/dbraw/zinc/72/27/01/1041722701.db2.gz ITJLUCLAWUPUCE-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH2+]CC1 ZINC001236459949 1041722707 /nfs/dbraw/zinc/72/27/07/1041722707.db2.gz ITJLUCLAWUPUCE-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP CCOCC[N@@H+](Cc1c[nH]c2ccc(Br)cc12)C1CC[NH2+]CC1 ZINC001236460185 1041722800 /nfs/dbraw/zinc/72/28/00/1041722800.db2.gz NXSVHQHJADCKFH-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cc(C)c(OC)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236464619 1041726180 /nfs/dbraw/zinc/72/61/80/1041726180.db2.gz HNUSVMFLAKQBQR-UHFFFAOYSA-N 2 1 396.531 3.853 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)c(OC)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236464619 1041726186 /nfs/dbraw/zinc/72/61/86/1041726186.db2.gz HNUSVMFLAKQBQR-UHFFFAOYSA-N 2 1 396.531 3.853 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256461179 1041742665 /nfs/dbraw/zinc/74/26/65/1041742665.db2.gz IARZOAIBHLXRLE-WSTZPKSXSA-N 2 1 375.557 3.871 20 0 GHADMP COc1c(C)c[nH+]c(CN(Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1C ZINC001236503990 1041743631 /nfs/dbraw/zinc/74/36/31/1041743631.db2.gz JYBNTZKSKJUWKI-UHFFFAOYSA-N 2 1 375.463 3.739 20 0 GHADMP COc1ccc(C[N@H+](Cc2cc(F)c(O)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545256 1041757696 /nfs/dbraw/zinc/75/76/96/1041757696.db2.gz MIHDCUCFKPHKDP-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc(F)c(O)cc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545256 1041757707 /nfs/dbraw/zinc/75/77/07/1041757707.db2.gz MIHDCUCFKPHKDP-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236550980 1041758523 /nfs/dbraw/zinc/75/85/23/1041758523.db2.gz GPQUPQMIGCGFGT-QAQDUYKDSA-N 2 1 397.357 3.964 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550233 1041758860 /nfs/dbraw/zinc/75/88/60/1041758860.db2.gz APRNGJPLTKKSKM-QAQDUYKDSA-N 2 1 397.357 3.964 20 0 GHADMP COc1cc(Br)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1O ZINC001236552934 1041759682 /nfs/dbraw/zinc/75/96/82/1041759682.db2.gz KXGANKFVNFDURB-SHTZXODSSA-N 2 1 383.330 3.645 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc(C)c(OC)nc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236551225 1041759832 /nfs/dbraw/zinc/75/98/32/1041759832.db2.gz CSODQNALUZDBJM-MXVIHJGJSA-N 2 1 399.535 3.688 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236553628 1041760544 /nfs/dbraw/zinc/76/05/44/1041760544.db2.gz QCOYGKXZOPWMIF-YHBQERECSA-N 3 1 379.548 3.613 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236555635 1041760617 /nfs/dbraw/zinc/76/06/17/1041760617.db2.gz LENOJNSXJQPPIZ-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP FC(F)Oc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1OC(F)F ZINC001236597736 1041773746 /nfs/dbraw/zinc/77/37/46/1041773746.db2.gz DJTHDLSLSQSKKX-ZDUSSCGKSA-N 2 1 376.394 3.853 20 0 GHADMP FC(F)Oc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc1OC(F)F ZINC001236597736 1041773752 /nfs/dbraw/zinc/77/37/52/1041773752.db2.gz DJTHDLSLSQSKKX-ZDUSSCGKSA-N 2 1 376.394 3.853 20 0 GHADMP FC(F)(F)c1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)CCO2)c1 ZINC001236604859 1041777512 /nfs/dbraw/zinc/77/75/12/1041777512.db2.gz QEWKSDYKVGCIMH-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)CCO2)c1 ZINC001236604859 1041777516 /nfs/dbraw/zinc/77/75/16/1041777516.db2.gz QEWKSDYKVGCIMH-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001236678324 1041824305 /nfs/dbraw/zinc/82/43/05/1041824305.db2.gz NRNRUGCKMJTPBF-FYYLOGMGSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cc2ccccc2cc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001236678324 1041824316 /nfs/dbraw/zinc/82/43/16/1041824316.db2.gz NRNRUGCKMJTPBF-FYYLOGMGSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cc2ccccc2cc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001236678324 1041824322 /nfs/dbraw/zinc/82/43/22/1041824322.db2.gz NRNRUGCKMJTPBF-FYYLOGMGSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cc2ccccc2cc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001236678324 1041824330 /nfs/dbraw/zinc/82/43/30/1041824330.db2.gz NRNRUGCKMJTPBF-FYYLOGMGSA-N 2 1 390.531 3.536 20 0 GHADMP COc1cc2ccccc2cc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001236678324 1041824334 /nfs/dbraw/zinc/82/43/34/1041824334.db2.gz NRNRUGCKMJTPBF-FYYLOGMGSA-N 2 1 390.531 3.536 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236700641 1041841113 /nfs/dbraw/zinc/84/11/13/1041841113.db2.gz NEMVMZDNJUTRTC-VYUAXZJKSA-N 2 1 388.552 3.747 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccc(OC(F)F)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711001 1041848303 /nfs/dbraw/zinc/84/83/03/1041848303.db2.gz KMYFKOCVEBGUGS-IYARVYRRSA-N 2 1 391.462 3.964 20 0 GHADMP Brc1ccc2[nH]c(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)nc2c1 ZINC001236975923 1041974210 /nfs/dbraw/zinc/97/42/10/1041974210.db2.gz KSISESAAFHZTTJ-UHFFFAOYSA-N 2 1 391.357 3.927 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4OC(C)(C)C)C[C@H]3C2)cn1 ZINC001237026889 1041995807 /nfs/dbraw/zinc/99/58/07/1041995807.db2.gz WUMLEICJEMLIGZ-TZIWHRDSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4OC(C)(C)C)C[C@H]3C2)cn1 ZINC001237026889 1041995808 /nfs/dbraw/zinc/99/58/08/1041995808.db2.gz WUMLEICJEMLIGZ-TZIWHRDSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4OC(C)(C)C)C[C@H]3C2)cn1 ZINC001237026889 1041995812 /nfs/dbraw/zinc/99/58/12/1041995812.db2.gz WUMLEICJEMLIGZ-TZIWHRDSSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4OC(C)(C)C)C[C@H]3C2)cn1 ZINC001237026889 1041995815 /nfs/dbraw/zinc/99/58/15/1041995815.db2.gz WUMLEICJEMLIGZ-TZIWHRDSSA-N 2 1 382.552 3.551 20 0 GHADMP CC(C)(C)Oc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001237102119 1042036746 /nfs/dbraw/zinc/03/67/46/1042036746.db2.gz KZSYPCVSKPLIKF-UHFFFAOYSA-N 2 1 382.552 3.715 20 0 GHADMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001237188867 1042085408 /nfs/dbraw/zinc/08/54/08/1042085408.db2.gz RHEBHRPQGUHVFM-XMMPIXPASA-N 2 1 379.523 3.715 20 0 GHADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001237188865 1042085448 /nfs/dbraw/zinc/08/54/48/1042085448.db2.gz RHEBHRPQGUHVFM-DEOSSOPVSA-N 2 1 379.523 3.715 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(-c3c(C)cccc3C)c2)CCC12C[NH2+]C2 ZINC001237431120 1042205517 /nfs/dbraw/zinc/20/55/17/1042205517.db2.gz NSTQEDRDPZXDMG-JOCHJYFZSA-N 2 1 392.543 3.945 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)CCC12C[NH2+]C2 ZINC001237431680 1042205555 /nfs/dbraw/zinc/20/55/55/1042205555.db2.gz TXZCJFZTYPBGIY-QGZVFWFLSA-N 2 1 388.895 3.575 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001237487419 1042230798 /nfs/dbraw/zinc/23/07/98/1042230798.db2.gz FDCCJVOUVBWRCE-VWLOTQADSA-N 2 1 392.543 3.890 20 0 GHADMP Clc1ncnc2ccc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC001237584558 1042272997 /nfs/dbraw/zinc/27/29/97/1042272997.db2.gz KODNYFJLYCEAAM-KDURUIRLSA-N 2 1 378.907 3.847 20 0 GHADMP CCc1ncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001237826675 1042388666 /nfs/dbraw/zinc/38/86/66/1042388666.db2.gz XHJPEQLTKMGPKA-IBGZPJMESA-N 2 1 385.577 3.961 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@@H+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)CC2 ZINC001237876546 1042405253 /nfs/dbraw/zinc/40/52/53/1042405253.db2.gz GMKYJRGNZUIXMX-UHFFFAOYSA-N 2 1 392.547 3.866 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)cc21 ZINC001237877571 1042405649 /nfs/dbraw/zinc/40/56/49/1042405649.db2.gz NYMBRJYRQIDBGO-ZRZAMGCNSA-N 2 1 388.559 3.647 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4C[N@@H+](Cc5cccnc5)C[C@@H]4C3)cc21 ZINC001237877571 1042405651 /nfs/dbraw/zinc/40/56/51/1042405651.db2.gz NYMBRJYRQIDBGO-ZRZAMGCNSA-N 2 1 388.559 3.647 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4C[N@H+](Cc5cccnc5)C[C@@H]4C3)cc21 ZINC001237877571 1042405653 /nfs/dbraw/zinc/40/56/53/1042405653.db2.gz NYMBRJYRQIDBGO-ZRZAMGCNSA-N 2 1 388.559 3.647 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@@H]4[C@@H](CNC(=O)OC(C)(C)C)[C@@H]4C3)cc21 ZINC001237881267 1042407531 /nfs/dbraw/zinc/40/75/31/1042407531.db2.gz PSVYOIJJRPMRDN-MZADTFQBSA-N 2 1 397.563 3.890 20 0 GHADMP Clc1ccc2c(c1)n[nH]c2C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237994157 1042448559 /nfs/dbraw/zinc/44/85/59/1042448559.db2.gz GQNRINQYULTWRM-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccc2c(c1)n[nH]c2C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237994157 1042448561 /nfs/dbraw/zinc/44/85/61/1042448561.db2.gz GQNRINQYULTWRM-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccc2c(c1)n[nH]c2C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237994157 1042448564 /nfs/dbraw/zinc/44/85/64/1042448564.db2.gz GQNRINQYULTWRM-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP Clc1ccc2c(c1)n[nH]c2C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237994157 1042448567 /nfs/dbraw/zinc/44/85/67/1042448567.db2.gz GQNRINQYULTWRM-SJORKVTESA-N 2 1 381.911 3.565 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(O)ccc4C)CC3)C2)cc1 ZINC001238093110 1042489699 /nfs/dbraw/zinc/48/96/99/1042489699.db2.gz ABXOVICFLFACFS-UHFFFAOYSA-N 2 1 380.532 3.876 20 0 GHADMP COc1cnc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC001238116770 1042496926 /nfs/dbraw/zinc/49/69/26/1042496926.db2.gz JMALLUADLLZZMU-UHFFFAOYSA-N 2 1 375.513 3.779 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CCc2nccn2CC1 ZINC001238647489 1042668278 /nfs/dbraw/zinc/66/82/78/1042668278.db2.gz FQMYPKKRIVOIJN-UHFFFAOYSA-N 2 1 381.451 3.765 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(-c4cc(C[NH+]5CCCCC5)ccn4)cc3)CC2)CC1 ZINC001240572659 1042941682 /nfs/dbraw/zinc/94/16/82/1042941682.db2.gz JHTAJWQSCRKZCI-UHFFFAOYSA-N 2 1 390.575 3.971 20 0 GHADMP C[NH+](C)Cc1c[nH]c2ncc(-c3ccc(C4(N5CC[NH+](C)CC5)CC4)cc3)cc12 ZINC001240590334 1042944631 /nfs/dbraw/zinc/94/46/31/1042944631.db2.gz KSPVJLKULICEKB-UHFFFAOYSA-N 2 1 389.547 3.528 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)nc1 ZINC001240814452 1042955814 /nfs/dbraw/zinc/95/58/14/1042955814.db2.gz QFOKMELMRDRQPS-QFIPXVFZSA-N 2 1 390.531 3.869 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc3c(c2)C2(CC[NH2+]CC2)C(=O)N3)nc1 ZINC001240814451 1042955851 /nfs/dbraw/zinc/95/58/51/1042955851.db2.gz QFOKMELMRDRQPS-JOCHJYFZSA-N 2 1 390.531 3.869 20 0 GHADMP C[C@H]1C[C@H](n2cc(C[C@H]([NH3+])CO)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256522407 1043447713 /nfs/dbraw/zinc/44/77/13/1043447713.db2.gz GMBYQRBFOGBVSE-YUXAGFNASA-N 2 1 377.532 3.729 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256522422 1043448437 /nfs/dbraw/zinc/44/84/37/1043448437.db2.gz GWEWDXNZBVQZFU-SIKLNZKXSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCOCC3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256522422 1043448442 /nfs/dbraw/zinc/44/84/42/1043448442.db2.gz GWEWDXNZBVQZFU-SIKLNZKXSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256523465 1043450191 /nfs/dbraw/zinc/45/01/91/1043450191.db2.gz OUOINQIAKBHMRA-AZUAARDMSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256523465 1043450199 /nfs/dbraw/zinc/45/01/99/1043450199.db2.gz OUOINQIAKBHMRA-AZUAARDMSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001256529611 1043458477 /nfs/dbraw/zinc/45/84/77/1043458477.db2.gz CVNRQKACEUDNQP-NZQKXSOJSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256529611 1043458486 /nfs/dbraw/zinc/45/84/86/1043458486.db2.gz CVNRQKACEUDNQP-NZQKXSOJSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2(Cc3ccncc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530292 1043461266 /nfs/dbraw/zinc/46/12/66/1043461266.db2.gz BFSNAVRQXRYPMO-NZQKXSOJSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2(Cc3ccncc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256530292 1043461274 /nfs/dbraw/zinc/46/12/74/1043461274.db2.gz BFSNAVRQXRYPMO-NZQKXSOJSA-N 2 1 379.548 3.816 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256538222 1043485214 /nfs/dbraw/zinc/48/52/14/1043485214.db2.gz SCSITSUOUDHDOB-CBQOVEMMSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256538222 1043485223 /nfs/dbraw/zinc/48/52/23/1043485223.db2.gz SCSITSUOUDHDOB-CBQOVEMMSA-N 2 1 380.532 3.889 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001256540666 1043490550 /nfs/dbraw/zinc/49/05/50/1043490550.db2.gz ZABNACNJAYRLOF-CHLMOITFSA-N 2 1 385.596 3.790 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256540666 1043490562 /nfs/dbraw/zinc/49/05/62/1043490562.db2.gz ZABNACNJAYRLOF-CHLMOITFSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256540666 1043490576 /nfs/dbraw/zinc/49/05/76/1043490576.db2.gz ZABNACNJAYRLOF-CHLMOITFSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256540666 1043490584 /nfs/dbraw/zinc/49/05/84/1043490584.db2.gz ZABNACNJAYRLOF-CHLMOITFSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256540666 1043490610 /nfs/dbraw/zinc/49/06/10/1043490610.db2.gz ZABNACNJAYRLOF-CHLMOITFSA-N 3 1 385.596 3.790 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1 ZINC001256569456 1043542692 /nfs/dbraw/zinc/54/26/92/1043542692.db2.gz GFRZECUKOUUEBR-GCJKJVERSA-N 2 1 397.579 3.920 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC1 ZINC001256571116 1043545163 /nfs/dbraw/zinc/54/51/63/1043545163.db2.gz CKNBGIMMHZDPKG-QFIPXVFZSA-N 2 1 391.506 3.657 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256596156 1043561491 /nfs/dbraw/zinc/56/14/91/1043561491.db2.gz XJHABAKVYBWGGH-QUCCMNQESA-N 2 1 391.531 3.588 20 0 GHADMP c1ccc(C[NH+]2CCC([NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)CC2)cc1 ZINC001256605896 1043568670 /nfs/dbraw/zinc/56/86/70/1043568670.db2.gz KZMHOBZJSLDPND-HSZRJFAPSA-N 2 1 384.564 3.701 20 0 GHADMP CCOC[C@@H]1COCCC12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256607154 1043572872 /nfs/dbraw/zinc/57/28/72/1043572872.db2.gz IVECOHJOOLHLPR-JOCHJYFZSA-N 2 1 386.580 3.806 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606774 1043573074 /nfs/dbraw/zinc/57/30/74/1043573074.db2.gz ZLZRWMNSBUDUJV-HSZRJFAPSA-N 2 1 395.572 3.842 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256606774 1043573081 /nfs/dbraw/zinc/57/30/81/1043573081.db2.gz ZLZRWMNSBUDUJV-HSZRJFAPSA-N 2 1 395.572 3.842 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001256639236 1043586773 /nfs/dbraw/zinc/58/67/73/1043586773.db2.gz PLYFIXMWTZZMKR-VXKWHMMOSA-N 2 1 383.511 3.843 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001256639236 1043586779 /nfs/dbraw/zinc/58/67/79/1043586779.db2.gz PLYFIXMWTZZMKR-VXKWHMMOSA-N 2 1 383.511 3.843 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H](C)Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256731653 1043639970 /nfs/dbraw/zinc/63/99/70/1043639970.db2.gz MZDCFHZLEXJOAA-ZPMCFJSWSA-N 2 1 381.520 3.571 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCO[C@H](c4ccccc4)C2)CC3)cn1 ZINC001256809906 1043665931 /nfs/dbraw/zinc/66/59/31/1043665931.db2.gz KESCHQLAYNCRQX-GOTSBHOMSA-N 2 1 394.563 3.771 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCO[C@H](c4ccccc4)C2)CC3)cn1 ZINC001256809906 1043665935 /nfs/dbraw/zinc/66/59/35/1043665935.db2.gz KESCHQLAYNCRQX-GOTSBHOMSA-N 2 1 394.563 3.771 20 0 GHADMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+]([C@@H]1CCO[C@@H](c3ccccc3)C1)CC2 ZINC001256815584 1043672100 /nfs/dbraw/zinc/67/21/00/1043672100.db2.gz SPYOALDETAYKBU-FYYLOGMGSA-N 2 1 394.563 3.647 20 0 GHADMP Cn1c2ccccc2nc1[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC001256856415 1043705371 /nfs/dbraw/zinc/70/53/71/1043705371.db2.gz KZYFBDRFSOMFQY-QHCPKHFHSA-N 2 1 398.514 3.711 20 0 GHADMP CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861441 1043707944 /nfs/dbraw/zinc/70/79/44/1043707944.db2.gz OOQHWERDBJQGNN-XGSMCBPESA-N 2 1 386.540 3.571 20 0 GHADMP C[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001256864242 1043709440 /nfs/dbraw/zinc/70/94/40/1043709440.db2.gz IGOKJWNXNGNSJA-JOCHJYFZSA-N 2 1 388.556 3.772 20 0 GHADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn([C@H]3CCC[N@H+](C4CCCC4)C3)cc2)CC1 ZINC001256904859 1043732550 /nfs/dbraw/zinc/73/25/50/1043732550.db2.gz NCVDLXGZGRPPNY-VXDFMKHQSA-N 2 1 398.595 3.649 20 0 GHADMP CC[N@@H+]1CC[C@@H]1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001292464721 1043747460 /nfs/dbraw/zinc/74/74/60/1043747460.db2.gz HPQZRSGDXUBZLN-GOSISDBHSA-N 2 1 384.351 3.512 20 0 GHADMP CC[N@H+]1CC[C@@H]1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001292464721 1043747470 /nfs/dbraw/zinc/74/74/70/1043747470.db2.gz HPQZRSGDXUBZLN-GOSISDBHSA-N 2 1 384.351 3.512 20 0 GHADMP Brc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)ccn1 ZINC001278981218 1043781813 /nfs/dbraw/zinc/78/18/13/1043781813.db2.gz RWDCFGMJVFAVRL-CALCHBBNSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)ccn1 ZINC001278981218 1043781825 /nfs/dbraw/zinc/78/18/25/1043781825.db2.gz RWDCFGMJVFAVRL-CALCHBBNSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)ccn1 ZINC001278981218 1043781832 /nfs/dbraw/zinc/78/18/32/1043781832.db2.gz RWDCFGMJVFAVRL-CALCHBBNSA-N 2 1 389.341 3.516 20 0 GHADMP C[N@H+](CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C1CCCCC1 ZINC001292635850 1043812479 /nfs/dbraw/zinc/81/24/79/1043812479.db2.gz NDARJTNHVMBOLK-UHFFFAOYSA-N 2 1 392.975 3.685 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)C1CCCCC1 ZINC001292635850 1043812497 /nfs/dbraw/zinc/81/24/97/1043812497.db2.gz NDARJTNHVMBOLK-UHFFFAOYSA-N 2 1 392.975 3.685 20 0 GHADMP CCC[C@H](C)[NH+]1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001257322465 1043965055 /nfs/dbraw/zinc/96/50/55/1043965055.db2.gz VAYXOGSMJWGQPN-SFTDATJTSA-N 2 1 397.607 3.860 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001293084140 1044016202 /nfs/dbraw/zinc/01/62/02/1044016202.db2.gz OIIFDMJQOYISPS-OAQYLSRUSA-N 2 1 391.987 3.789 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257789062 1044173090 /nfs/dbraw/zinc/17/30/90/1044173090.db2.gz CWEMGVBKSDALOU-XQBPLPMBSA-N 2 1 379.589 3.878 20 0 GHADMP Cc1ncsc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)nn3)(C1)CCC2 ZINC001279077157 1044416146 /nfs/dbraw/zinc/41/61/46/1044416146.db2.gz YTBRQXAMSPXSEN-MSOLQXFVSA-N 2 1 377.945 3.620 20 0 GHADMP O=C1OCCCN1c1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258140502 1044425620 /nfs/dbraw/zinc/42/56/20/1044425620.db2.gz ZNYFNJVPISFPGH-UHFFFAOYSA-N 2 1 393.531 3.830 20 0 GHADMP COC(=O)CC[C@@H](C)[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258360762 1044523104 /nfs/dbraw/zinc/52/31/04/1044523104.db2.gz GOKYYMATAQPHTL-ZTFGCOKTSA-N 2 1 397.357 3.863 20 0 GHADMP O=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)[C@@]12CC[N@@H+](C1)CCC2 ZINC001294284527 1044567466 /nfs/dbraw/zinc/56/74/66/1044567466.db2.gz HJJSSUSAFSIWNG-VWLOTQADSA-N 2 1 391.559 3.681 20 0 GHADMP COc1cc(C[C@H](C)[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc(OC)c1OC ZINC001258869527 1044809529 /nfs/dbraw/zinc/80/95/29/1044809529.db2.gz WGSKCAYNLDDOLW-INIZCTEOSA-N 2 1 399.535 3.586 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001258910214 1044862438 /nfs/dbraw/zinc/86/24/38/1044862438.db2.gz OKIKYDZWYBXXMQ-CVDCTZTESA-N 2 1 389.559 3.761 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C[NH+]3CCCC3)o2)C[N@H+]1Cc1ccccc1 ZINC001295144501 1044930930 /nfs/dbraw/zinc/93/09/30/1044930930.db2.gz ZOWGGAFFCUPQCA-TZIWHRDSSA-N 2 1 395.547 3.906 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261233158 1045932420 /nfs/dbraw/zinc/93/24/20/1045932420.db2.gz IJNIHCDBBJHUGS-ARHMPVJQSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H](c1ccccc1)n1cnn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001262482957 1046260940 /nfs/dbraw/zinc/26/09/40/1046260940.db2.gz QXALDWNRSFHUGK-GSEOLPGOSA-N 2 1 385.581 3.643 20 0 GHADMP C[C@H](c1ccccc1)n1cnn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1=S ZINC001262482957 1046260948 /nfs/dbraw/zinc/26/09/48/1046260948.db2.gz QXALDWNRSFHUGK-GSEOLPGOSA-N 2 1 385.581 3.643 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCC[NH+]3Cc3ccccc3)C[N@H+]2C1 ZINC001303171512 1047303338 /nfs/dbraw/zinc/30/33/38/1047303338.db2.gz VTUKUBGEKNNRON-SWUCNREESA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C[NH+]2C1 ZINC001303171512 1047303348 /nfs/dbraw/zinc/30/33/48/1047303348.db2.gz VTUKUBGEKNNRON-SWUCNREESA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C[NH+]2C1 ZINC001303171512 1047303360 /nfs/dbraw/zinc/30/33/60/1047303360.db2.gz VTUKUBGEKNNRON-SWUCNREESA-N 2 1 383.580 3.620 20 0 GHADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001279117164 1047724586 /nfs/dbraw/zinc/72/45/86/1047724586.db2.gz XQVPYXWUNBDZAK-CALCHBBNSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001279117164 1047724589 /nfs/dbraw/zinc/72/45/89/1047724589.db2.gz XQVPYXWUNBDZAK-CALCHBBNSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3csc(Cl)c3)C[C@H]2CC1 ZINC001279117164 1047724591 /nfs/dbraw/zinc/72/45/91/1047724591.db2.gz XQVPYXWUNBDZAK-CALCHBBNSA-N 2 1 378.973 3.962 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CC1C[C@H](C)O[C@@H](C)C1)CC2 ZINC001279262121 1047750876 /nfs/dbraw/zinc/75/08/76/1047750876.db2.gz BCTGCBYKWLDNOQ-IRXDYDNUSA-N 2 1 377.598 3.943 20 0 GHADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)c(Cl)c1 ZINC001279333270 1047771187 /nfs/dbraw/zinc/77/11/87/1047771187.db2.gz UXQAUAUSWIGLDE-CALCHBBNSA-N 3 1 376.907 3.520 20 0 GHADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)c(Cl)c1 ZINC001279333270 1047771191 /nfs/dbraw/zinc/77/11/91/1047771191.db2.gz UXQAUAUSWIGLDE-CALCHBBNSA-N 3 1 376.907 3.520 20 0 GHADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)c(Cl)c1 ZINC001279333270 1047771199 /nfs/dbraw/zinc/77/11/99/1047771199.db2.gz UXQAUAUSWIGLDE-CALCHBBNSA-N 3 1 376.907 3.520 20 0 GHADMP O=c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2sccc2Cl)CC3)[nH]1 ZINC001279372547 1047784914 /nfs/dbraw/zinc/78/49/14/1047784914.db2.gz RQSPFPZOCLHLAE-UHFFFAOYSA-N 2 1 377.941 3.990 20 0 GHADMP Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(Br)c1 ZINC001279419011 1047799016 /nfs/dbraw/zinc/79/90/16/1047799016.db2.gz JCYHHDCYHWJDLZ-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP COc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279609474 1047866463 /nfs/dbraw/zinc/86/64/63/1047866463.db2.gz BKDPAQBGBXTTHU-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1cc(Br)cc(C)c1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001279626116 1047874473 /nfs/dbraw/zinc/87/44/73/1047874473.db2.gz DIJGDHDPPFGNQZ-UHFFFAOYSA-N 2 1 394.401 3.525 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279636488 1047881221 /nfs/dbraw/zinc/88/12/21/1047881221.db2.gz NJJJLBZYBXHIAS-UHFFFAOYSA-N 2 1 385.383 3.546 20 0 GHADMP Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c2cc(Br)ccc21 ZINC001279694168 1047919904 /nfs/dbraw/zinc/91/99/04/1047919904.db2.gz SWVDWDOOTUANJC-GASCZTMLSA-N 2 1 376.342 3.714 20 0 GHADMP Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c2cc(Br)ccc21 ZINC001279694168 1047919910 /nfs/dbraw/zinc/91/99/10/1047919910.db2.gz SWVDWDOOTUANJC-GASCZTMLSA-N 2 1 376.342 3.714 20 0 GHADMP Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c2cc(Br)ccc21 ZINC001279694168 1047919913 /nfs/dbraw/zinc/91/99/13/1047919913.db2.gz SWVDWDOOTUANJC-GASCZTMLSA-N 2 1 376.342 3.714 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(O)cc(F)c3)C[C@H]2CC1 ZINC001279705930 1047924627 /nfs/dbraw/zinc/92/46/27/1047924627.db2.gz DWQNBFRTMSYORD-CALCHBBNSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(O)cc(F)c3)C[C@H]2CC1 ZINC001279705930 1047924629 /nfs/dbraw/zinc/92/46/29/1047924629.db2.gz DWQNBFRTMSYORD-CALCHBBNSA-N 2 1 375.513 3.640 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc(O)cc(F)c3)C[C@H]2CC1 ZINC001279705930 1047924631 /nfs/dbraw/zinc/92/46/31/1047924631.db2.gz DWQNBFRTMSYORD-CALCHBBNSA-N 2 1 375.513 3.640 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(C)c1C)CC2 ZINC001280081372 1048074938 /nfs/dbraw/zinc/07/49/38/1048074938.db2.gz QOYMOLKCIQTJLG-UHFFFAOYSA-N 2 1 380.960 3.865 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)c(C)c1C)CC2 ZINC001280081372 1048074954 /nfs/dbraw/zinc/07/49/54/1048074954.db2.gz QOYMOLKCIQTJLG-UHFFFAOYSA-N 2 1 380.960 3.865 20 0 GHADMP CCOc1ccc(Br)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)c1F ZINC001280112241 1048086253 /nfs/dbraw/zinc/08/62/53/1048086253.db2.gz OYOOBNGTVVREPV-OKILXGFUSA-N 2 1 385.321 3.761 20 0 GHADMP CCOc1ccc(Br)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1F ZINC001280112241 1048086267 /nfs/dbraw/zinc/08/62/67/1048086267.db2.gz OYOOBNGTVVREPV-OKILXGFUSA-N 2 1 385.321 3.761 20 0 GHADMP CCOc1ccc(Br)c(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1F ZINC001280112241 1048086287 /nfs/dbraw/zinc/08/62/87/1048086287.db2.gz OYOOBNGTVVREPV-OKILXGFUSA-N 2 1 385.321 3.761 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC[C@@]2(CCCN(CC[NH+]3CCCCC3)C2)C1 ZINC001280262163 1048150549 /nfs/dbraw/zinc/15/05/49/1048150549.db2.gz LRDYZFORZMICLD-OAQYLSRUSA-N 2 1 376.614 3.615 20 0 GHADMP CCOc1ccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c(Cl)c1 ZINC001280312358 1048178238 /nfs/dbraw/zinc/17/82/38/1048178238.db2.gz DROVGFLOARNGGX-RTWAWAEBSA-N 2 1 379.976 3.825 20 0 GHADMP CCCC[NH+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306685572 1048812633 /nfs/dbraw/zinc/81/26/33/1048812633.db2.gz GVCYORJYJBAXBG-RTBURBONSA-N 2 1 392.636 3.518 20 0 GHADMP CCCC[NH+](C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001306685572 1048812643 /nfs/dbraw/zinc/81/26/43/1048812643.db2.gz GVCYORJYJBAXBG-RTBURBONSA-N 2 1 392.636 3.518 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](c2ccccc2)CC1)c1ccccc1 ZINC001307453822 1049291465 /nfs/dbraw/zinc/29/14/65/1049291465.db2.gz ZAVVQAHDOXSBMI-JTHBVZDNSA-N 2 1 379.548 3.675 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCCCC2)C1 ZINC001307458605 1049295053 /nfs/dbraw/zinc/29/50/53/1049295053.db2.gz IUBGKOSIQSHTBR-UNMCSNQZSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCCC2)C1 ZINC001307458605 1049295067 /nfs/dbraw/zinc/29/50/67/1049295067.db2.gz IUBGKOSIQSHTBR-UNMCSNQZSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCCC2)C1 ZINC001307458605 1049295078 /nfs/dbraw/zinc/29/50/78/1049295078.db2.gz IUBGKOSIQSHTBR-UNMCSNQZSA-N 2 1 383.580 3.812 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](C(C)C)CC3)cc2)CC1 ZINC001307478531 1049317540 /nfs/dbraw/zinc/31/75/40/1049317540.db2.gz QYMYBMLFMYTMQQ-FQEVSTJZSA-N 2 1 386.584 3.525 20 0 GHADMP CC[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001307515895 1049357849 /nfs/dbraw/zinc/35/78/49/1049357849.db2.gz XHYDINBYQBLLJQ-PXNSSMCTSA-N 2 1 377.960 3.715 20 0 GHADMP CC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001307515895 1049357864 /nfs/dbraw/zinc/35/78/64/1049357864.db2.gz XHYDINBYQBLLJQ-PXNSSMCTSA-N 2 1 377.960 3.715 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](C)[C@H](C)c2ccccc2)CC1 ZINC001307615338 1049451411 /nfs/dbraw/zinc/45/14/11/1049451411.db2.gz IJFMKKDXIRECOB-FCHUYYIVSA-N 2 1 393.575 3.811 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc(Cl)cc(Cl)c2F)CC1 ZINC001308061842 1049809529 /nfs/dbraw/zinc/80/95/29/1049809529.db2.gz NIEDIEPHKLFJFX-GFCCVEGCSA-N 2 1 390.330 3.772 20 0 GHADMP CCOC(=O)[C@@]1(F)C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1CC ZINC001308063771 1049810796 /nfs/dbraw/zinc/81/07/96/1049810796.db2.gz CASHYAJKDBOSKL-RBBKRZOGSA-N 2 1 376.516 3.786 20 0 GHADMP CCOC(=O)[C@@]1(F)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1CC ZINC001308063771 1049810804 /nfs/dbraw/zinc/81/08/04/1049810804.db2.gz CASHYAJKDBOSKL-RBBKRZOGSA-N 2 1 376.516 3.786 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(C)c1 ZINC001308089224 1049835728 /nfs/dbraw/zinc/83/57/28/1049835728.db2.gz LEXOLXDYNNWYTC-FQEVSTJZSA-N 2 1 380.536 3.936 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N1CCOCC1 ZINC001308194272 1049907637 /nfs/dbraw/zinc/90/76/37/1049907637.db2.gz ILMGNZUKQXWFPN-OYDLWJJNSA-N 2 1 387.612 3.766 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N1CCOCC1 ZINC001308194272 1049907639 /nfs/dbraw/zinc/90/76/39/1049907639.db2.gz ILMGNZUKQXWFPN-OYDLWJJNSA-N 2 1 387.612 3.766 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001308617420 1050034658 /nfs/dbraw/zinc/03/46/58/1050034658.db2.gz DAKUYVGQAYRUDT-SLFFLAALSA-N 2 1 379.589 3.878 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308919056 1050169541 /nfs/dbraw/zinc/16/95/41/1050169541.db2.gz STCILIGGMWLXEN-QGZVFWFLSA-N 2 1 392.503 3.759 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308919056 1050169547 /nfs/dbraw/zinc/16/95/47/1050169547.db2.gz STCILIGGMWLXEN-QGZVFWFLSA-N 2 1 392.503 3.759 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001328524381 1050534967 /nfs/dbraw/zinc/53/49/67/1050534967.db2.gz IRUWRRNEOORFQG-RTBURBONSA-N 2 1 397.485 3.646 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001328524380 1050535596 /nfs/dbraw/zinc/53/55/96/1050535596.db2.gz IRUWRRNEOORFQG-RBUKOAKNSA-N 2 1 397.485 3.646 20 0 GHADMP CC[NH+](CC)CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc(Cl)cc1 ZINC001331204676 1051213205 /nfs/dbraw/zinc/21/32/05/1051213205.db2.gz YOJJSYDIJUYWHX-UHFFFAOYSA-N 2 1 397.910 3.909 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccn2C2CC2)c1)C1CCOCC1 ZINC001331897940 1051404127 /nfs/dbraw/zinc/40/41/27/1051404127.db2.gz MBIZLOSUUTUIGW-UHFFFAOYSA-N 2 1 383.536 3.602 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C)c1Cl ZINC001310922164 1051707539 /nfs/dbraw/zinc/70/75/39/1051707539.db2.gz WUEVSHPHUPASBV-KRWDZBQOSA-N 2 1 380.964 3.837 20 0 GHADMP CCN(C(=O)Nc1cc(C[NH+](C)C)ccn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311077886 1051832669 /nfs/dbraw/zinc/83/26/69/1051832669.db2.gz VZWDCNSDYUCGFY-RXVVDRJESA-N 2 1 395.551 3.833 20 0 GHADMP CCN(C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001311079058 1051834850 /nfs/dbraw/zinc/83/48/50/1051834850.db2.gz UCMRIWDCRBHLLI-XLIONFOSSA-N 2 1 381.524 3.837 20 0 GHADMP CCN(C(=O)Nc1cc[nH+]c(N(C)C)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311079058 1051834861 /nfs/dbraw/zinc/83/48/61/1051834861.db2.gz UCMRIWDCRBHLLI-XLIONFOSSA-N 2 1 381.524 3.837 20 0 GHADMP CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nc1-c1ccccc1 ZINC001334723882 1051968294 /nfs/dbraw/zinc/96/82/94/1051968294.db2.gz JEWYAITZWKGSER-FHWLQOOXSA-N 2 1 385.581 3.721 20 0 GHADMP CCn1c(=S)n(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)nc1-c1ccccc1 ZINC001334723882 1051968295 /nfs/dbraw/zinc/96/82/95/1051968295.db2.gz JEWYAITZWKGSER-FHWLQOOXSA-N 2 1 385.581 3.721 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCCC[C@@H]1C ZINC001311396704 1052090488 /nfs/dbraw/zinc/09/04/88/1052090488.db2.gz ORFFVHOJSNFTRH-HKBOAZHASA-N 2 1 392.632 3.935 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC001311396704 1052090496 /nfs/dbraw/zinc/09/04/96/1052090496.db2.gz ORFFVHOJSNFTRH-HKBOAZHASA-N 2 1 392.632 3.935 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@H+]1CCCC[C@@H]1C ZINC001311396704 1052090505 /nfs/dbraw/zinc/09/05/05/1052090505.db2.gz ORFFVHOJSNFTRH-HKBOAZHASA-N 2 1 392.632 3.935 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001311400786 1052101412 /nfs/dbraw/zinc/10/14/12/1052101412.db2.gz SXUHZAKZJRZSTA-JTVPBKEVSA-N 2 1 392.632 3.649 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001335747228 1052162979 /nfs/dbraw/zinc/16/29/79/1052162979.db2.gz OGEILUSQVWAFCV-PZJWPPBQSA-N 2 1 395.478 3.809 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001335747228 1052162987 /nfs/dbraw/zinc/16/29/87/1052162987.db2.gz OGEILUSQVWAFCV-PZJWPPBQSA-N 2 1 395.478 3.809 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001311953201 1052497254 /nfs/dbraw/zinc/49/72/54/1052497254.db2.gz KKCZLKFBJPMMTM-ICSRJNTNSA-N 2 1 380.621 3.697 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001311992979 1052518593 /nfs/dbraw/zinc/51/85/93/1052518593.db2.gz AHJUSDBOZMRINE-SIKLNZKXSA-N 2 1 394.563 3.690 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001312647161 1052824060 /nfs/dbraw/zinc/82/40/60/1052824060.db2.gz SZCCGFJKQNQAKS-GOTSBHOMSA-N 2 1 398.595 3.735 20 0 GHADMP [NH3+]C1(CC(=O)N2Cc3cccc(Cl)c3C2)CC[NH+](Cc2ccccc2)CC1 ZINC001343056474 1053521971 /nfs/dbraw/zinc/52/19/71/1053521971.db2.gz UPAQHZFNKRUAOI-UHFFFAOYSA-N 2 1 383.923 3.566 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001343394307 1053746423 /nfs/dbraw/zinc/74/64/23/1053746423.db2.gz LRDWVOBXLPXTSB-FGZHOGPDSA-N 2 1 383.580 3.575 20 0 GHADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001344535827 1054550740 /nfs/dbraw/zinc/55/07/40/1054550740.db2.gz SYQKVBDXGIVLJF-BJKOFHAPSA-N 2 1 392.591 3.953 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001318360586 1054586754 /nfs/dbraw/zinc/58/67/54/1054586754.db2.gz YYTOIQYSUZXAFD-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001318360586 1054586773 /nfs/dbraw/zinc/58/67/73/1054586773.db2.gz YYTOIQYSUZXAFD-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001318360586 1054586791 /nfs/dbraw/zinc/58/67/91/1054586791.db2.gz YYTOIQYSUZXAFD-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001318360586 1054586804 /nfs/dbraw/zinc/58/68/04/1054586804.db2.gz YYTOIQYSUZXAFD-HSZRJFAPSA-N 2 1 398.595 3.551 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001318665625 1054783714 /nfs/dbraw/zinc/78/37/14/1054783714.db2.gz QZEZVPPBFMCWCE-GMAHTHKFSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCCC[NH+]2CCC[C@H](C)C2)c1 ZINC001318665625 1054783732 /nfs/dbraw/zinc/78/37/32/1054783732.db2.gz QZEZVPPBFMCWCE-GMAHTHKFSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCCC[NH+]2CCC[C@H](C)C2)c1 ZINC001318665625 1054783748 /nfs/dbraw/zinc/78/37/48/1054783748.db2.gz QZEZVPPBFMCWCE-GMAHTHKFSA-N 2 1 385.596 3.978 20 0 GHADMP C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001345488205 1055060452 /nfs/dbraw/zinc/06/04/52/1055060452.db2.gz PTRCBFZYZDDWSA-OAHLLOKOSA-N 2 1 393.881 3.770 20 0 GHADMP C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)C[NH2+]C(C)(C)C)c1ccc(Cl)cc1 ZINC001345488205 1055060462 /nfs/dbraw/zinc/06/04/62/1055060462.db2.gz PTRCBFZYZDDWSA-OAHLLOKOSA-N 2 1 393.881 3.770 20 0 GHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319393518 1055224358 /nfs/dbraw/zinc/22/43/58/1055224358.db2.gz LWPOYQJFYNIXJS-HOYKHHGWSA-N 2 1 381.539 3.986 20 0 GHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001474744468 1055606839 /nfs/dbraw/zinc/60/68/39/1055606839.db2.gz HQUNQARCEOELKE-SOTCFPIZSA-N 2 1 384.564 3.999 20 0 GHADMP COc1cc(-c2nc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cs2)ccc1O ZINC001321653401 1056352357 /nfs/dbraw/zinc/35/23/57/1056352357.db2.gz UPWTUPAOBMTJSK-UHFFFAOYSA-N 2 1 387.549 3.832 20 0 GHADMP COC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC001322475775 1056722420 /nfs/dbraw/zinc/72/24/20/1056722420.db2.gz NDYMOSYYDOZXBA-UHFFFAOYSA-N 2 1 378.472 3.988 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001323744476 1057007571 /nfs/dbraw/zinc/00/75/71/1057007571.db2.gz MAYNMFXUWUHMMF-PKTZIBPZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001324058630 1057062948 /nfs/dbraw/zinc/06/29/48/1057062948.db2.gz FQZYZANKKRJYGA-FRIKZZABSA-N 2 1 398.595 3.746 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(NC(=O)OC(C)(C)C)c1 ZINC000848553616 1057175180 /nfs/dbraw/zinc/17/51/80/1057175180.db2.gz LXNITQBBPZJYQS-HXUWFJFHSA-N 2 1 389.540 3.685 20 0 GHADMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1cccc(C(F)(F)F)c1 ZINC000849091050 1057591071 /nfs/dbraw/zinc/59/10/71/1057591071.db2.gz DZASVOTURNJIRD-UHFFFAOYSA-N 2 1 390.453 3.768 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001439894383 1058337818 /nfs/dbraw/zinc/33/78/18/1058337818.db2.gz QQVILBCTBIATBP-QZTJIDSGSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC001439894383 1058337830 /nfs/dbraw/zinc/33/78/30/1058337830.db2.gz QQVILBCTBIATBP-QZTJIDSGSA-N 2 1 385.474 3.689 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001440429317 1058517534 /nfs/dbraw/zinc/51/75/34/1058517534.db2.gz BOLULNGZPDPKOG-UHFFFAOYSA-N 2 1 391.559 3.939 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c2c(cccc2Cl)c1C ZINC001442928051 1059029619 /nfs/dbraw/zinc/02/96/19/1059029619.db2.gz WVDIFXWOTGDBSF-MRXNPFEDSA-N 2 1 390.959 3.618 20 0 GHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001339582125 1059321319 /nfs/dbraw/zinc/32/13/19/1059321319.db2.gz CCWLEYWXIJXBTA-VQTJNVASSA-N 2 1 381.564 3.724 20 0 GHADMP CCCN(C(=O)c1csc([C@@H](C)[NH3+])n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001340044094 1059647083 /nfs/dbraw/zinc/64/70/83/1059647083.db2.gz GDPUUKFFBFTJCI-SJLPKXTDSA-N 2 1 386.565 3.680 20 0 GHADMP CCCN(C(=O)c1csc([C@@H](C)[NH3+])n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001340044094 1059647089 /nfs/dbraw/zinc/64/70/89/1059647089.db2.gz GDPUUKFFBFTJCI-SJLPKXTDSA-N 2 1 386.565 3.680 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001448130326 1060116642 /nfs/dbraw/zinc/11/66/42/1060116642.db2.gz ZNQNPLYVQFWKKY-GGAORHGYSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001448130326 1060116654 /nfs/dbraw/zinc/11/66/54/1060116654.db2.gz ZNQNPLYVQFWKKY-GGAORHGYSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001448130326 1060116662 /nfs/dbraw/zinc/11/66/62/1060116662.db2.gz ZNQNPLYVQFWKKY-GGAORHGYSA-N 2 1 383.580 3.668 20 0 GHADMP [NH3+]Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001340866034 1060210027 /nfs/dbraw/zinc/21/00/27/1060210027.db2.gz WQPFBICRBNYVDM-UHFFFAOYSA-N 2 1 392.330 3.847 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001448573605 1060221750 /nfs/dbraw/zinc/22/17/50/1060221750.db2.gz USINTCNYQRTNEJ-GOTSBHOMSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001448573605 1060221772 /nfs/dbraw/zinc/22/17/72/1060221772.db2.gz USINTCNYQRTNEJ-GOTSBHOMSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001448573605 1060221797 /nfs/dbraw/zinc/22/17/97/1060221797.db2.gz USINTCNYQRTNEJ-GOTSBHOMSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001448573605 1060221833 /nfs/dbraw/zinc/22/18/33/1060221833.db2.gz USINTCNYQRTNEJ-GOTSBHOMSA-N 2 1 383.580 3.954 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cccc(CC[NH+](C)C)c3)C2)s1 ZINC001449179409 1060349416 /nfs/dbraw/zinc/34/94/16/1060349416.db2.gz WQJWVZOMKQTLHL-FQEVSTJZSA-N 2 1 399.604 3.755 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)c(OC)c1 ZINC001346113148 1061372841 /nfs/dbraw/zinc/37/28/41/1061372841.db2.gz GCHPYFSKNQMEHD-UHFFFAOYSA-N 2 1 387.549 3.793 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001454510619 1061811536 /nfs/dbraw/zinc/81/15/36/1061811536.db2.gz JJOAJDWJNYYPOB-IBGZPJMESA-N 2 1 377.960 3.637 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001454510619 1061811554 /nfs/dbraw/zinc/81/15/54/1061811554.db2.gz JJOAJDWJNYYPOB-IBGZPJMESA-N 2 1 377.960 3.637 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c[nH]nc3C(C)(C)C)C2)ccn1 ZINC001351118730 1064272295 /nfs/dbraw/zinc/27/22/95/1064272295.db2.gz XCKVQPBMQMJYHV-HXUWFJFHSA-N 2 1 385.556 3.596 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c[nH]nc3C(C)(C)C)C2)ccn1 ZINC001351118730 1064272306 /nfs/dbraw/zinc/27/23/06/1064272306.db2.gz XCKVQPBMQMJYHV-HXUWFJFHSA-N 2 1 385.556 3.596 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)ccn1 ZINC001351118730 1064272315 /nfs/dbraw/zinc/27/23/15/1064272315.db2.gz XCKVQPBMQMJYHV-HXUWFJFHSA-N 2 1 385.556 3.596 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001463763045 1064595498 /nfs/dbraw/zinc/59/54/98/1064595498.db2.gz NYSYISBFHIKDJX-RPWUZVMVSA-N 2 1 393.575 3.880 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC=C(c4ccc(C)cc4)CC3)CC2)CC1 ZINC000847306803 1065021434 /nfs/dbraw/zinc/02/14/34/1065021434.db2.gz OLNKHMCPDMOJQX-UHFFFAOYSA-N 2 1 395.591 3.807 20 0 GHADMP C[NH+](C)C1CCN(C(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001464906596 1065267211 /nfs/dbraw/zinc/26/72/11/1065267211.db2.gz CLJXOWNSPLSNFP-HSZRJFAPSA-N 2 1 397.538 3.580 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4sc(C)nc4c3)CC2)CC1 ZINC000847698692 1065947014 /nfs/dbraw/zinc/94/70/14/1065947014.db2.gz GEBNABINNXPGAX-UHFFFAOYSA-N 2 1 386.565 3.740 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)Nc2ccnc(C[NH+](C)C)c2)[NH+](C)C)cc1 ZINC001467117998 1067079370 /nfs/dbraw/zinc/07/93/70/1067079370.db2.gz BQYXWBIUKGMXQB-JOCHJYFZSA-N 2 1 397.567 3.766 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001477615108 1078492526 /nfs/dbraw/zinc/49/25/26/1078492526.db2.gz KRFYWGVIWVCNBL-IFMALSPDSA-N 2 1 386.584 3.729 20 0 GHADMP CCN(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC001467631184 1067392837 /nfs/dbraw/zinc/39/28/37/1067392837.db2.gz PXLRRTNEFCKZOV-UXHICEINSA-N 2 1 392.975 3.603 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC001467650675 1067401677 /nfs/dbraw/zinc/40/16/77/1067401677.db2.gz NNZAABHTZXSAEA-ISKFKSNPSA-N 2 1 397.607 3.771 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001467675724 1067412984 /nfs/dbraw/zinc/41/29/84/1067412984.db2.gz DKFVZQKMHFYBCT-ZVDOUQERSA-N 2 1 380.621 3.554 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001467744280 1067447699 /nfs/dbraw/zinc/44/76/99/1067447699.db2.gz PBIPVPKOXCHWSH-QHAWAJNXSA-N 2 1 380.621 3.698 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001467744280 1067447705 /nfs/dbraw/zinc/44/77/05/1067447705.db2.gz PBIPVPKOXCHWSH-QHAWAJNXSA-N 2 1 380.621 3.698 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001467744280 1067447708 /nfs/dbraw/zinc/44/77/08/1067447708.db2.gz PBIPVPKOXCHWSH-QHAWAJNXSA-N 2 1 380.621 3.698 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCOc2ccccc2C(C)(C)C)CC1 ZINC001473432653 1067558996 /nfs/dbraw/zinc/55/89/96/1067558996.db2.gz VUODWEFAOROWPF-UHFFFAOYSA-N 2 1 375.601 3.711 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001468020643 1067569174 /nfs/dbraw/zinc/56/91/74/1067569174.db2.gz SNNVADCDQYCAIL-AUSIDOKSSA-N 2 1 396.579 3.671 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001477783205 1078564287 /nfs/dbraw/zinc/56/42/87/1078564287.db2.gz HVSWDDOVJXUKBF-FQEVSTJZSA-N 2 1 394.991 3.678 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001477783205 1078564291 /nfs/dbraw/zinc/56/42/91/1078564291.db2.gz HVSWDDOVJXUKBF-FQEVSTJZSA-N 2 1 394.991 3.678 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001469157817 1067999993 /nfs/dbraw/zinc/99/99/93/1067999993.db2.gz NLHAUHIBFSMLHB-WSATVANYSA-N 2 1 386.584 3.602 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001477968314 1078650103 /nfs/dbraw/zinc/65/01/03/1078650103.db2.gz AECLCIRTXJCKGG-NRFANRHFSA-N 2 1 378.605 3.549 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001477968314 1078650105 /nfs/dbraw/zinc/65/01/05/1078650105.db2.gz AECLCIRTXJCKGG-NRFANRHFSA-N 2 1 378.605 3.549 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001477968314 1078650108 /nfs/dbraw/zinc/65/01/08/1078650108.db2.gz AECLCIRTXJCKGG-NRFANRHFSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH+]c1 ZINC001469877003 1068444478 /nfs/dbraw/zinc/44/44/78/1068444478.db2.gz SRLBZQZQXHETMV-OAQYLSRUSA-N 2 1 395.551 3.546 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)[nH+]c1 ZINC001469877003 1068444482 /nfs/dbraw/zinc/44/44/82/1068444482.db2.gz SRLBZQZQXHETMV-OAQYLSRUSA-N 2 1 395.551 3.546 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001470013096 1068522137 /nfs/dbraw/zinc/52/21/37/1068522137.db2.gz SDMGOVGOKLCWOL-ISKFKSNPSA-N 2 1 398.595 3.559 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001470087363 1068564865 /nfs/dbraw/zinc/56/48/65/1068564865.db2.gz NKJJHJJTBJLNLN-QFIPXVFZSA-N 2 1 386.584 3.512 20 0 GHADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001470087363 1068564881 /nfs/dbraw/zinc/56/48/81/1068564881.db2.gz NKJJHJJTBJLNLN-QFIPXVFZSA-N 2 1 386.584 3.512 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001470087363 1068564894 /nfs/dbraw/zinc/56/48/94/1068564894.db2.gz NKJJHJJTBJLNLN-QFIPXVFZSA-N 2 1 386.584 3.512 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001460240788 1068880426 /nfs/dbraw/zinc/88/04/26/1068880426.db2.gz VEYGYPDVYQHQRF-VXKWHMMOSA-N 2 1 383.511 3.690 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001460240788 1068880434 /nfs/dbraw/zinc/88/04/34/1068880434.db2.gz VEYGYPDVYQHQRF-VXKWHMMOSA-N 2 1 383.511 3.690 20 0 GHADMP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001460303907 1068915229 /nfs/dbraw/zinc/91/52/29/1068915229.db2.gz HMJNUYJJAOQDDM-UHFFFAOYSA-N 2 1 398.526 3.560 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC001460657185 1069062805 /nfs/dbraw/zinc/06/28/05/1069062805.db2.gz UZJQSAUBZBTMJZ-GVAUOCQISA-N 2 1 377.576 3.928 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC001460657185 1069062808 /nfs/dbraw/zinc/06/28/08/1069062808.db2.gz UZJQSAUBZBTMJZ-GVAUOCQISA-N 2 1 377.576 3.928 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC001460657185 1069062814 /nfs/dbraw/zinc/06/28/14/1069062814.db2.gz UZJQSAUBZBTMJZ-GVAUOCQISA-N 2 1 377.576 3.928 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1 ZINC001478378748 1078841355 /nfs/dbraw/zinc/84/13/55/1078841355.db2.gz ZIBXJWBMBCLSFD-POOLCLQXSA-N 2 1 398.595 3.715 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1 ZINC001478378748 1078841367 /nfs/dbraw/zinc/84/13/67/1078841367.db2.gz ZIBXJWBMBCLSFD-POOLCLQXSA-N 2 1 398.595 3.715 20 0 GHADMP CCN(C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001470854741 1072772955 /nfs/dbraw/zinc/77/29/55/1072772955.db2.gz NDBMTNOCFOPSKJ-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001470854741 1072772962 /nfs/dbraw/zinc/77/29/62/1072772962.db2.gz NDBMTNOCFOPSKJ-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001470854741 1072772969 /nfs/dbraw/zinc/77/29/69/1072772969.db2.gz NDBMTNOCFOPSKJ-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC001471108511 1072925433 /nfs/dbraw/zinc/92/54/33/1072925433.db2.gz IPTODLWJHANFCT-GOTSBHOMSA-N 2 1 398.595 3.701 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C1CCCCC1 ZINC001478928564 1079029835 /nfs/dbraw/zinc/02/98/35/1079029835.db2.gz XTGTYVSQRNNZNH-UHFFFAOYSA-N 2 1 378.605 3.691 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)C1CCCCC1 ZINC001478928609 1079029891 /nfs/dbraw/zinc/02/98/91/1079029891.db2.gz YUNLWOAQPNELHK-UHFFFAOYSA-N 2 1 392.632 3.937 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)ccc4cnccc43)CC2)CC1 ZINC001472462645 1073499642 /nfs/dbraw/zinc/49/96/42/1073499642.db2.gz PJKMINZNXGLMQI-UHFFFAOYSA-N 2 1 380.536 3.678 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1 ZINC001479219638 1079158308 /nfs/dbraw/zinc/15/83/08/1079158308.db2.gz JNLGYHJYRPSYDE-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001479219638 1079158310 /nfs/dbraw/zinc/15/83/10/1079158310.db2.gz JNLGYHJYRPSYDE-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001479219638 1079158314 /nfs/dbraw/zinc/15/83/14/1079158314.db2.gz JNLGYHJYRPSYDE-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1F ZINC001473139419 1073802262 /nfs/dbraw/zinc/80/22/62/1073802262.db2.gz GVKCVJLRMGSYTQ-UHFFFAOYSA-N 2 1 392.563 3.804 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC001473289284 1073907937 /nfs/dbraw/zinc/90/79/37/1073907937.db2.gz IRVLGNRXIDOALG-UHFFFAOYSA-N 3 1 398.639 3.663 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001473427167 1073960400 /nfs/dbraw/zinc/96/04/00/1073960400.db2.gz SWWDDYASRCJTFD-LJQANCHMSA-N 2 1 379.589 3.831 20 0 GHADMP O=C(C[NH+]1CCC2(CCC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473451594 1073969749 /nfs/dbraw/zinc/96/97/49/1073969749.db2.gz CAFIZJKHCMFPEK-HXUWFJFHSA-N 2 1 389.971 3.859 20 0 GHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001473698807 1074093698 /nfs/dbraw/zinc/09/36/98/1074093698.db2.gz YCMIUWQUUQGUKJ-IBGZPJMESA-N 2 1 384.486 3.949 20 0 GHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001473698808 1074094093 /nfs/dbraw/zinc/09/40/93/1074094093.db2.gz YCMIUWQUUQGUKJ-LJQANCHMSA-N 2 1 384.486 3.949 20 0 GHADMP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473780826 1074138821 /nfs/dbraw/zinc/13/88/21/1074138821.db2.gz MCPGGKJVRJRGSV-BBTUJRGHSA-N 2 1 383.511 3.564 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807502 1074153659 /nfs/dbraw/zinc/15/36/59/1074153659.db2.gz PCYXBIQCRZRKKO-WCIQWLHISA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807502 1074153661 /nfs/dbraw/zinc/15/36/61/1074153661.db2.gz PCYXBIQCRZRKKO-WCIQWLHISA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807502 1074153664 /nfs/dbraw/zinc/15/36/64/1074153664.db2.gz PCYXBIQCRZRKKO-WCIQWLHISA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807502 1074153667 /nfs/dbraw/zinc/15/36/67/1074153667.db2.gz PCYXBIQCRZRKKO-WCIQWLHISA-N 2 1 382.470 3.940 20 0 GHADMP COc1cccc2c1CCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C2 ZINC001473913476 1074201580 /nfs/dbraw/zinc/20/15/80/1074201580.db2.gz FOFXZWUNEXIQAG-FPOVZHCZSA-N 2 1 399.604 3.582 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Br)c2ccccc2n1C ZINC001473928103 1074206961 /nfs/dbraw/zinc/20/69/61/1074206961.db2.gz DHNCUMHRUYRPKU-ZDUSSCGKSA-N 2 1 375.314 3.872 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-n4cncn4)c(F)c3)cc2)C1 ZINC001473931530 1074208714 /nfs/dbraw/zinc/20/87/14/1074208714.db2.gz LHPFNBOKURACMQ-SFHVURJKSA-N 2 1 393.510 3.928 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C)c4ncccc4c3)cc2)CC1 ZINC001473936375 1074211542 /nfs/dbraw/zinc/21/15/42/1074211542.db2.gz SSIRKFJXERMCHP-UHFFFAOYSA-N 2 1 388.559 3.971 20 0 GHADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001474019882 1074238336 /nfs/dbraw/zinc/23/83/36/1074238336.db2.gz IMQQSDCNYDZWSW-ISKFKSNPSA-N 2 1 382.548 3.694 20 0 GHADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001474019882 1074238340 /nfs/dbraw/zinc/23/83/40/1074238340.db2.gz IMQQSDCNYDZWSW-ISKFKSNPSA-N 2 1 382.548 3.694 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1OC ZINC001474029615 1074241310 /nfs/dbraw/zinc/24/13/10/1074241310.db2.gz LTHSOHYFIRXSJZ-PXNSSMCTSA-N 2 1 384.520 3.713 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1OC ZINC001474029615 1074241313 /nfs/dbraw/zinc/24/13/13/1074241313.db2.gz LTHSOHYFIRXSJZ-PXNSSMCTSA-N 2 1 384.520 3.713 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC001474084458 1074258283 /nfs/dbraw/zinc/25/82/83/1074258283.db2.gz KNXMAAGFUQJOSK-IBGZPJMESA-N 2 1 376.447 3.535 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1sccc1Br ZINC001474084883 1074258937 /nfs/dbraw/zinc/25/89/37/1074258937.db2.gz XWTCXSVLGHDUOQ-INIZCTEOSA-N 2 1 395.366 3.757 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1sccc1Br ZINC001474084883 1074258942 /nfs/dbraw/zinc/25/89/42/1074258942.db2.gz XWTCXSVLGHDUOQ-INIZCTEOSA-N 2 1 395.366 3.757 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2ccnc(Cl)c2s1 ZINC001474501152 1074434770 /nfs/dbraw/zinc/43/47/70/1074434770.db2.gz VLANAVRAGDLRRO-INIZCTEOSA-N 2 1 380.989 3.798 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC001474694496 1074519950 /nfs/dbraw/zinc/51/99/50/1074519950.db2.gz GFVIWBSQYDLILW-SJLPKXTDSA-N 2 1 378.442 3.860 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC001474694496 1074519957 /nfs/dbraw/zinc/51/99/57/1074519957.db2.gz GFVIWBSQYDLILW-SJLPKXTDSA-N 2 1 378.442 3.860 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000820709848 607472856 /nfs/dbraw/zinc/47/28/56/607472856.db2.gz MLWIGOZUDNGHJU-INIZCTEOSA-N 2 1 394.498 3.528 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC000820709848 607472858 /nfs/dbraw/zinc/47/28/58/607472858.db2.gz MLWIGOZUDNGHJU-INIZCTEOSA-N 2 1 394.498 3.528 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)n1 ZINC001164618839 719046127 /nfs/dbraw/zinc/04/61/27/719046127.db2.gz BZHANCINXKUSTQ-OFNKIYASSA-N 2 1 396.966 3.914 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC001164635332 719237776 /nfs/dbraw/zinc/23/77/76/719237776.db2.gz PRDOEFLZQWACHC-KGLIPLIRSA-N 2 1 375.586 3.679 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC001164635332 719237782 /nfs/dbraw/zinc/23/77/82/719237782.db2.gz PRDOEFLZQWACHC-KGLIPLIRSA-N 2 1 375.586 3.679 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164724643 720396855 /nfs/dbraw/zinc/39/68/55/720396855.db2.gz KBIDARQJOHOJEY-UXHICEINSA-N 2 1 397.954 3.579 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164724643 720396861 /nfs/dbraw/zinc/39/68/61/720396861.db2.gz KBIDARQJOHOJEY-UXHICEINSA-N 2 1 397.954 3.579 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC[NH+]3Cc2cccnc2)nc1 ZINC001164725726 720472226 /nfs/dbraw/zinc/47/22/26/720472226.db2.gz JXNVAOXEQFIIKF-XPWALMASSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164725726 720472228 /nfs/dbraw/zinc/47/22/28/720472228.db2.gz JXNVAOXEQFIIKF-XPWALMASSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164725726 720472230 /nfs/dbraw/zinc/47/22/30/720472230.db2.gz JXNVAOXEQFIIKF-XPWALMASSA-N 2 1 391.563 3.877 20 0 GHADMP CCc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc(C)[nH+]1 ZINC001164841636 720713902 /nfs/dbraw/zinc/71/39/02/720713902.db2.gz VFSJSPMYTGCHNG-HXUWFJFHSA-N 2 1 380.536 3.607 20 0 GHADMP CCc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc(C)[nH+]1 ZINC001164841636 720713905 /nfs/dbraw/zinc/71/39/05/720713905.db2.gz VFSJSPMYTGCHNG-HXUWFJFHSA-N 2 1 380.536 3.607 20 0 GHADMP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164791111 721489032 /nfs/dbraw/zinc/48/90/32/721489032.db2.gz APHWSCNTPQLJIT-UHFFFAOYSA-N 2 1 394.567 3.517 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001165034321 721896116 /nfs/dbraw/zinc/89/61/16/721896116.db2.gz CEEOEBUQPLPELT-MRXNPFEDSA-N 2 1 399.608 3.696 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000261465661 837451652 /nfs/dbraw/zinc/45/16/52/837451652.db2.gz YERMLPLWQHMBOX-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431783799 837490857 /nfs/dbraw/zinc/49/08/57/837490857.db2.gz IZDJENKQKQCCNO-OAQYLSRUSA-N 2 1 389.609 3.873 20 0 GHADMP CCSc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000173182451 837589322 /nfs/dbraw/zinc/58/93/22/837589322.db2.gz QQPSONTXIDECKC-SFHVURJKSA-N 2 1 378.586 3.678 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000471403391 837599617 /nfs/dbraw/zinc/59/96/17/837599617.db2.gz NBLOFQNOMITMMG-UHFFFAOYSA-N 2 1 379.548 3.591 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000471403391 837599620 /nfs/dbraw/zinc/59/96/20/837599620.db2.gz NBLOFQNOMITMMG-UHFFFAOYSA-N 2 1 379.548 3.591 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471403391 837599623 /nfs/dbraw/zinc/59/96/23/837599623.db2.gz NBLOFQNOMITMMG-UHFFFAOYSA-N 2 1 379.548 3.591 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414393243 837679895 /nfs/dbraw/zinc/67/98/95/837679895.db2.gz NLQPELAZFJDYQR-JTSKRJEESA-N 2 1 388.531 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3cccc(F)c3)nc2C)[C@@H](C)C1 ZINC000414393243 837679901 /nfs/dbraw/zinc/67/99/01/837679901.db2.gz NLQPELAZFJDYQR-JTSKRJEESA-N 2 1 388.531 3.546 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000655690147 837680157 /nfs/dbraw/zinc/68/01/57/837680157.db2.gz XKXQTYBZJAYFFL-RDPSFJRHSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690147 837680160 /nfs/dbraw/zinc/68/01/60/837680160.db2.gz XKXQTYBZJAYFFL-RDPSFJRHSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690147 837680165 /nfs/dbraw/zinc/68/01/65/837680165.db2.gz XKXQTYBZJAYFFL-RDPSFJRHSA-N 3 1 385.596 3.794 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000655714390 837708147 /nfs/dbraw/zinc/70/81/47/837708147.db2.gz CCDBDVLMTSGNNJ-OAHLLOKOSA-N 2 1 389.341 3.517 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000655714390 837708152 /nfs/dbraw/zinc/70/81/52/837708152.db2.gz CCDBDVLMTSGNNJ-OAHLLOKOSA-N 2 1 389.341 3.517 20 0 GHADMP Clc1ccccc1N1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655715007 837720314 /nfs/dbraw/zinc/72/03/14/837720314.db2.gz GBUFUQUEJFWRTL-RBUKOAKNSA-N 2 1 377.960 3.542 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000655734881 837775519 /nfs/dbraw/zinc/77/55/19/837775519.db2.gz OTFRWCYXAFUAIJ-MRXNPFEDSA-N 2 1 381.358 3.570 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000600971812 834554154 /nfs/dbraw/zinc/55/41/54/834554154.db2.gz JWYAJHAZHNTTQB-MSOLQXFVSA-N 2 1 385.474 3.689 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[NH+]1CCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000375761912 834668957 /nfs/dbraw/zinc/66/89/57/834668957.db2.gz IPQAUCRXUPXEHE-KIHHCIJBSA-N 2 1 390.660 3.664 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCCCCC[NH+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000375761912 834668962 /nfs/dbraw/zinc/66/89/62/834668962.db2.gz IPQAUCRXUPXEHE-KIHHCIJBSA-N 2 1 390.660 3.664 20 0 GHADMP C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCCCCC[NH+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000375761912 834668968 /nfs/dbraw/zinc/66/89/68/834668968.db2.gz IPQAUCRXUPXEHE-KIHHCIJBSA-N 2 1 390.660 3.664 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000650721898 834698402 /nfs/dbraw/zinc/69/84/02/834698402.db2.gz FNMCZWCLLZIBOV-CTUHWIOQSA-N 2 1 390.531 3.886 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2Br)C1 ZINC000650723326 834700895 /nfs/dbraw/zinc/70/08/95/834700895.db2.gz LJFZNOKBIOIAIW-PVAVHDDUSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2Br)C1 ZINC000650723326 834700901 /nfs/dbraw/zinc/70/09/01/834700901.db2.gz LJFZNOKBIOIAIW-PVAVHDDUSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000650723469 834703014 /nfs/dbraw/zinc/70/30/14/834703014.db2.gz OPAPYXFCMFCQEC-MZYLBHOOSA-N 2 1 381.520 3.521 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)c(Cl)c1 ZINC000657879523 834882744 /nfs/dbraw/zinc/88/27/44/834882744.db2.gz LFEFMLCCMDZORU-DZGCQCFKSA-N 2 1 389.765 3.990 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511265742 834906668 /nfs/dbraw/zinc/90/66/68/834906668.db2.gz BSBAYSCANGALIA-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511265742 834906676 /nfs/dbraw/zinc/90/66/76/834906676.db2.gz BSBAYSCANGALIA-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511265742 834906683 /nfs/dbraw/zinc/90/66/83/834906683.db2.gz BSBAYSCANGALIA-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511265742 834906688 /nfs/dbraw/zinc/90/66/88/834906688.db2.gz BSBAYSCANGALIA-JAXLGGSGSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](CC)C1CC[NH+](CCC(=O)Nc2ccc(N(C)C(C)C)c(F)c2)CC1 ZINC001167062471 834970426 /nfs/dbraw/zinc/97/04/26/834970426.db2.gz KKPXYWVXNDEKJR-UHFFFAOYSA-N 2 1 392.563 3.805 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000685417707 834996311 /nfs/dbraw/zinc/99/63/11/834996311.db2.gz MSCVCDIZJVEJLG-NXNYUAIASA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685417707 834996320 /nfs/dbraw/zinc/99/63/20/834996320.db2.gz MSCVCDIZJVEJLG-NXNYUAIASA-N 2 1 381.486 3.821 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000432834281 844016759 /nfs/dbraw/zinc/01/67/59/844016759.db2.gz AOWMOLLRISADPO-BBWFWOEESA-N 2 1 392.540 3.647 20 0 GHADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000614333265 844022688 /nfs/dbraw/zinc/02/26/88/844022688.db2.gz BZCUECRJQMJMEA-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@H]1C[NH+](C)CCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000614333265 844022695 /nfs/dbraw/zinc/02/26/95/844022695.db2.gz BZCUECRJQMJMEA-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@H]1C[NH+](C)CCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000614333265 844022705 /nfs/dbraw/zinc/02/27/05/844022705.db2.gz BZCUECRJQMJMEA-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000430212261 835154008 /nfs/dbraw/zinc/15/40/08/835154008.db2.gz LPVOZOLWKXBWAJ-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)c2)CCO1 ZINC000685613949 835222245 /nfs/dbraw/zinc/22/22/45/835222245.db2.gz BLXRCGQDBYGRIX-OAHLLOKOSA-N 2 1 394.437 3.922 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(O)cc(C(F)(F)F)c3)c2)CCO1 ZINC000685613949 835222248 /nfs/dbraw/zinc/22/22/48/835222248.db2.gz BLXRCGQDBYGRIX-OAHLLOKOSA-N 2 1 394.437 3.922 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc(OC)c1OC ZINC000472347697 835264014 /nfs/dbraw/zinc/26/40/14/835264014.db2.gz PSWMOXZHSYICGW-NHCUHLMSSA-N 2 1 398.547 3.885 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665249 835285996 /nfs/dbraw/zinc/28/59/96/835285996.db2.gz YXFAIMWZGUHPDB-FPOVZHCZSA-N 2 1 390.535 3.615 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccccc4F)CCC3)CC2)CC1 ZINC000655158082 835306922 /nfs/dbraw/zinc/30/69/22/835306922.db2.gz LJKUPAAQLSESGB-UHFFFAOYSA-N 2 1 387.543 3.517 20 0 GHADMP FCC1(CF)CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000658024801 835376880 /nfs/dbraw/zinc/37/68/80/835376880.db2.gz WZHSPXDUIDEFLG-IBGZPJMESA-N 2 1 378.507 3.593 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000658068071 835407046 /nfs/dbraw/zinc/40/70/46/835407046.db2.gz BOUUVTWQFDAOMZ-SBHAEUEKSA-N 2 1 394.003 3.893 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH+](C4CCOCC4)CC2)C3)cc1 ZINC000658071070 835410857 /nfs/dbraw/zinc/41/08/57/835410857.db2.gz SONWFIJKUITFJV-RHHYMUMYSA-N 3 1 397.607 3.663 20 0 GHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH+](C4CCOCC4)CC2)C3)cc1 ZINC000658071070 835410863 /nfs/dbraw/zinc/41/08/63/835410863.db2.gz SONWFIJKUITFJV-RHHYMUMYSA-N 2 1 397.607 3.663 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141746 835451954 /nfs/dbraw/zinc/45/19/54/835451954.db2.gz UKYQAUQOGXOQBC-CTNGQTDRSA-N 2 1 386.923 3.910 20 0 GHADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCO2 ZINC000658139480 835465625 /nfs/dbraw/zinc/46/56/25/835465625.db2.gz LUAXWGRDXXUNBK-JTHBVZDNSA-N 2 1 380.532 3.874 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)[NH+](CC)CC)cc1 ZINC000458792613 835558963 /nfs/dbraw/zinc/55/89/63/835558963.db2.gz LNBCNSDNGCLHAK-QIJUGHKUSA-N 2 1 388.600 3.614 20 0 GHADMP CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1=O ZINC000658296870 835560851 /nfs/dbraw/zinc/56/08/51/835560851.db2.gz WMLIUDSZFCUABU-CBPXPLCBSA-N 2 1 383.580 3.666 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000472366645 835657891 /nfs/dbraw/zinc/65/78/91/835657891.db2.gz GFYNFLIJXKDTRR-MOPGFXCFSA-N 2 1 380.458 3.618 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1OCCO ZINC000151674379 835725586 /nfs/dbraw/zinc/72/55/86/835725586.db2.gz YTUNSCOVIWXNDC-IRXDYDNUSA-N 2 1 395.503 3.972 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cc2cnccc2o1 ZINC000657833021 835740633 /nfs/dbraw/zinc/74/06/33/835740633.db2.gz CGQXQAXZASKGOE-NQIIRXRSSA-N 2 1 378.520 3.857 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000584223330 835784037 /nfs/dbraw/zinc/78/40/37/835784037.db2.gz BYUNYGXQYWWATL-HSZRJFAPSA-N 2 1 385.596 3.520 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000109311171 835797103 /nfs/dbraw/zinc/79/71/03/835797103.db2.gz YKWYFLHSDFTWRT-SFTDATJTSA-N 2 1 383.536 3.691 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000109311830 835798162 /nfs/dbraw/zinc/79/81/62/835798162.db2.gz JPTGHIGCRXLIBK-UHFFFAOYSA-N 2 1 379.548 3.906 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000081552258 835957426 /nfs/dbraw/zinc/95/74/26/835957426.db2.gz GRWMWUVKDKOJKA-NQIIRXRSSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000081552258 835957431 /nfs/dbraw/zinc/95/74/31/835957431.db2.gz GRWMWUVKDKOJKA-NQIIRXRSSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081552258 835957439 /nfs/dbraw/zinc/95/74/39/835957439.db2.gz GRWMWUVKDKOJKA-NQIIRXRSSA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081552258 835957445 /nfs/dbraw/zinc/95/74/45/835957445.db2.gz GRWMWUVKDKOJKA-NQIIRXRSSA-N 2 1 375.532 3.561 20 0 GHADMP COc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc(Cl)c1OC ZINC000092587232 844121779 /nfs/dbraw/zinc/12/17/79/844121779.db2.gz RYZNLOMZMDBCTI-HZPDHXFCSA-N 2 1 396.959 3.678 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092586993 844121788 /nfs/dbraw/zinc/12/17/88/844121788.db2.gz XSGQOHDWTVYLLA-KDURUIRLSA-N 2 1 382.552 3.706 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180113701 836077849 /nfs/dbraw/zinc/07/78/49/836077849.db2.gz YBLRXKUZTCQYBC-WVUPVLJSSA-N 2 1 380.532 3.520 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413753262 836250431 /nfs/dbraw/zinc/25/04/31/836250431.db2.gz DQSIJDUKTJKZGC-OTWHNJEPSA-N 2 1 386.584 3.664 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000109456848 836252207 /nfs/dbraw/zinc/25/22/07/836252207.db2.gz JAISLOCNENVASQ-HUVFLSCGSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000109456848 836252217 /nfs/dbraw/zinc/25/22/17/836252217.db2.gz JAISLOCNENVASQ-HUVFLSCGSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000109456848 836252228 /nfs/dbraw/zinc/25/22/28/836252228.db2.gz JAISLOCNENVASQ-HUVFLSCGSA-N 2 1 391.559 3.850 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275115752 836301305 /nfs/dbraw/zinc/30/13/05/836301305.db2.gz YXVQVKLYSFMRBR-ICSRJNTNSA-N 2 1 397.567 3.744 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)C[C@@H](C)O1 ZINC000170689705 836565112 /nfs/dbraw/zinc/56/51/12/836565112.db2.gz GOWZCFWEVTWFGG-RTBURBONSA-N 2 1 395.547 3.600 20 0 GHADMP C[N@H+](CC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)Cc1ccccc1 ZINC000473494809 844182867 /nfs/dbraw/zinc/18/28/67/844182867.db2.gz IQMNDOIXYJDMSU-RUZDIDTESA-N 2 1 391.559 3.633 20 0 GHADMP C[N@@H+](CC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)Cc1ccccc1 ZINC000473494809 844182869 /nfs/dbraw/zinc/18/28/69/844182869.db2.gz IQMNDOIXYJDMSU-RUZDIDTESA-N 2 1 391.559 3.633 20 0 GHADMP C[NH+](CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)Cc1ccccc1 ZINC000473494809 844182876 /nfs/dbraw/zinc/18/28/76/844182876.db2.gz IQMNDOIXYJDMSU-RUZDIDTESA-N 2 1 391.559 3.633 20 0 GHADMP C[NH+](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)Cc1ccccc1 ZINC000473494809 844182882 /nfs/dbraw/zinc/18/28/82/844182882.db2.gz IQMNDOIXYJDMSU-RUZDIDTESA-N 2 1 391.559 3.633 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827764 836701768 /nfs/dbraw/zinc/70/17/68/836701768.db2.gz YTAWFFOHMDIOHH-MOPGFXCFSA-N 2 1 384.568 3.626 20 0 GHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827764 836701776 /nfs/dbraw/zinc/70/17/76/836701776.db2.gz YTAWFFOHMDIOHH-MOPGFXCFSA-N 2 1 384.568 3.626 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C[NH+]1CCCCC1 ZINC000332835746 836721299 /nfs/dbraw/zinc/72/12/99/836721299.db2.gz ZRCVZRJAPQQQQQ-ICSRJNTNSA-N 2 1 386.584 3.731 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3Cn3cccn3)CC2)cc1 ZINC000119253189 836822438 /nfs/dbraw/zinc/82/24/38/836822438.db2.gz NZVIITVBTDJZDY-UHFFFAOYSA-N 2 1 392.522 3.867 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431696512 836904442 /nfs/dbraw/zinc/90/44/42/836904442.db2.gz DNTVZKWLYFBRFP-AKIFATBCSA-N 2 1 398.595 3.699 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCCCO4)CC2)cc1 ZINC000161874056 837139975 /nfs/dbraw/zinc/13/99/75/837139975.db2.gz ADTCCHNSDQUVPC-UHFFFAOYSA-N 2 1 384.495 3.784 20 0 GHADMP C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247236860 837861213 /nfs/dbraw/zinc/86/12/13/837861213.db2.gz DJROAUGFAKWKQB-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247236860 837861219 /nfs/dbraw/zinc/86/12/19/837861219.db2.gz DJROAUGFAKWKQB-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247236860 837861227 /nfs/dbraw/zinc/86/12/27/837861227.db2.gz DJROAUGFAKWKQB-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CC[C@@H](CC(F)F)C[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000659865929 837965517 /nfs/dbraw/zinc/96/55/17/837965517.db2.gz RLCCSNFDEBCHEI-RBUKOAKNSA-N 2 1 380.527 3.597 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CCCCCC1 ZINC000535675978 844281285 /nfs/dbraw/zinc/28/12/85/844281285.db2.gz MWNUNQAGOWPFJA-UHFFFAOYSA-N 2 1 383.580 3.814 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000655831862 837997661 /nfs/dbraw/zinc/99/76/61/837997661.db2.gz MCIWMLPPKSJJLJ-YMPZKCBVSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893967589 844294484 /nfs/dbraw/zinc/29/44/84/844294484.db2.gz PHUVISUBPMLKQF-MRXNPFEDSA-N 2 1 377.520 3.587 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC[N@H+]1Cc1ccccc1 ZINC000659287427 838206979 /nfs/dbraw/zinc/20/69/79/838206979.db2.gz OHQYJNIVFQZNPF-SXSPYAJSSA-N 2 1 391.559 3.848 20 0 GHADMP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000549381081 838212884 /nfs/dbraw/zinc/21/28/84/838212884.db2.gz NFXXHYSFFZBXRZ-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000415903944 838257471 /nfs/dbraw/zinc/25/74/71/838257471.db2.gz FMNGDZMZSLXOGZ-QFIPXVFZSA-N 2 1 395.551 3.710 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1)CC(C)C ZINC000415904877 838258952 /nfs/dbraw/zinc/25/89/52/838258952.db2.gz YQLOQTGZZGOANR-UHFFFAOYSA-N 2 1 386.584 3.944 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415914321 838262842 /nfs/dbraw/zinc/26/28/42/838262842.db2.gz WCIBDPSCCJHMDK-ICSRJNTNSA-N 2 1 380.536 3.828 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415919583 838271080 /nfs/dbraw/zinc/27/10/80/838271080.db2.gz NLXZUMXKZUSTDF-OAQYLSRUSA-N 2 1 380.536 3.924 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000415973081 838330955 /nfs/dbraw/zinc/33/09/55/838330955.db2.gz PZYYYVFIVZWQAM-ROUUACIJSA-N 2 1 392.425 3.731 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415971420 838338828 /nfs/dbraw/zinc/33/88/28/838338828.db2.gz JQCINKDFIKBGFI-OAQYLSRUSA-N 2 1 398.526 3.750 20 0 GHADMP CCC[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000416011219 838390325 /nfs/dbraw/zinc/39/03/25/838390325.db2.gz PCZAUUTYELYUPA-QFIPXVFZSA-N 2 1 378.520 3.808 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000782939251 838469880 /nfs/dbraw/zinc/46/98/80/838469880.db2.gz XFNGWLPKXYRUMJ-UHFFFAOYSA-N 2 1 385.552 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000376661539 838613452 /nfs/dbraw/zinc/61/34/52/838613452.db2.gz SRWMHEPCOIOVNN-WWMYMODYSA-N 2 1 381.524 3.510 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000378301868 838815303 /nfs/dbraw/zinc/81/53/03/838815303.db2.gz QLFGDRGTASKPIC-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP Cn1c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2sc1=O ZINC000549823544 844370884 /nfs/dbraw/zinc/37/08/84/844370884.db2.gz BBHPNHMGTGHRJM-OAQYLSRUSA-N 2 1 395.572 3.990 20 0 GHADMP Cn1c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc2sc1=O ZINC000549823544 844370911 /nfs/dbraw/zinc/37/09/11/844370911.db2.gz BBHPNHMGTGHRJM-OAQYLSRUSA-N 2 1 395.572 3.990 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000415100037 839203964 /nfs/dbraw/zinc/20/39/64/839203964.db2.gz ABMWWAGNMNIIFN-IAGOWNOFSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3Br)s2)CCCO1 ZINC000415114102 839224486 /nfs/dbraw/zinc/22/44/86/839224486.db2.gz VGMLQCFXFYCWAO-ZDUSSCGKSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Br)s2)CCCO1 ZINC000415114102 839224496 /nfs/dbraw/zinc/22/44/96/839224496.db2.gz VGMLQCFXFYCWAO-ZDUSSCGKSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000415111969 839233458 /nfs/dbraw/zinc/23/34/58/839233458.db2.gz RQUHPUAGDVARPR-DLBZAZTESA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377385224 839421523 /nfs/dbraw/zinc/42/15/23/839421523.db2.gz COIOGUAARSEMFH-REWPJTCUSA-N 2 1 391.559 3.791 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001167391944 839469028 /nfs/dbraw/zinc/46/90/28/839469028.db2.gz PKVHWYLIAQZJHP-XVAYZXCPSA-N 2 1 377.617 3.715 20 0 GHADMP CC(C)CCn1cccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000119149209 839678754 /nfs/dbraw/zinc/67/87/54/839678754.db2.gz ICSRQEYLSDSFPZ-QFIPXVFZSA-N 2 1 396.579 3.521 20 0 GHADMP C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000160522140 839690494 /nfs/dbraw/zinc/69/04/94/839690494.db2.gz GKLMKGQRBWIYHI-RBUKOAKNSA-N 2 1 397.604 3.645 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000684026917 840005593 /nfs/dbraw/zinc/00/55/93/840005593.db2.gz ZVUPGYSIXAOZGK-UHFFFAOYSA-N 2 1 391.519 3.998 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000416966727 840315313 /nfs/dbraw/zinc/31/53/13/840315313.db2.gz FYWPKGYFNBWFFX-IRLDBZIGSA-N 2 1 386.584 3.591 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(I)cc1 ZINC000610799535 844536367 /nfs/dbraw/zinc/53/63/67/844536367.db2.gz PFKSGBGISWLGHC-ZACQAIPSSA-N 2 1 384.305 3.959 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C)c4ccccc34)CC2)CC1 ZINC000581139695 840775261 /nfs/dbraw/zinc/77/52/61/840775261.db2.gz DYEJAFRDEAHEIK-UHFFFAOYSA-N 2 1 393.575 3.961 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000511633686 840979583 /nfs/dbraw/zinc/97/95/83/840979583.db2.gz HGFLKUNIFDFVDZ-AWEZNQCLSA-N 2 1 386.367 3.975 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000511633686 840979589 /nfs/dbraw/zinc/97/95/89/840979589.db2.gz HGFLKUNIFDFVDZ-AWEZNQCLSA-N 2 1 386.367 3.975 20 0 GHADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000430560140 841104509 /nfs/dbraw/zinc/10/45/09/841104509.db2.gz VJADHVGCCCFYNY-MJGOQNOKSA-N 2 1 375.532 3.546 20 0 GHADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000430560140 841104516 /nfs/dbraw/zinc/10/45/16/841104516.db2.gz VJADHVGCCCFYNY-MJGOQNOKSA-N 2 1 375.532 3.546 20 0 GHADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000660695095 841106234 /nfs/dbraw/zinc/10/62/34/841106234.db2.gz MKOJGYAVIUUONB-HWKANZROSA-N 2 1 395.385 3.925 20 0 GHADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000430569509 841173839 /nfs/dbraw/zinc/17/38/39/841173839.db2.gz IYPVLZQBZKYMTD-UHFFFAOYSA-N 2 1 381.520 3.526 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417837867 841218172 /nfs/dbraw/zinc/21/81/72/841218172.db2.gz MRPXJVWPQUJFQC-JMUQELJHSA-N 2 1 394.563 3.601 20 0 GHADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000581408465 841283472 /nfs/dbraw/zinc/28/34/72/841283472.db2.gz SUMXYILHZFXFMT-UXHICEINSA-N 2 1 385.577 3.712 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(F)cc1I ZINC000417945581 841306097 /nfs/dbraw/zinc/30/60/97/841306097.db2.gz RGNPRBBOKBFOFT-UHFFFAOYSA-N 2 1 387.240 3.505 20 0 GHADMP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000500098631 841428673 /nfs/dbraw/zinc/42/86/73/841428673.db2.gz QQIBFXKQTSEDAF-YLJYHZDGSA-N 2 1 383.502 3.911 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418085652 841489283 /nfs/dbraw/zinc/48/92/83/841489283.db2.gz YEYILWRJLDGWMG-NRFANRHFSA-N 2 1 379.548 3.780 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418085652 841489291 /nfs/dbraw/zinc/48/92/91/841489291.db2.gz YEYILWRJLDGWMG-NRFANRHFSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418239410 841679388 /nfs/dbraw/zinc/67/93/88/841679388.db2.gz OVKQOYZEGMMZIG-UGKGYDQZSA-N 2 1 394.563 3.808 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)Cc3ccccc3C)CC2)CC1 ZINC000581676493 841994219 /nfs/dbraw/zinc/99/42/19/841994219.db2.gz ZEJWPBFUDPKTLF-HXUWFJFHSA-N 2 1 385.596 3.581 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000511995804 842036087 /nfs/dbraw/zinc/03/60/87/842036087.db2.gz CIQBTVSPTAIYSN-UHFFFAOYSA-N 2 1 377.414 3.966 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(Cc3cccc(C)c3)C2=O)C1 ZINC001167826352 842057568 /nfs/dbraw/zinc/05/75/68/842057568.db2.gz XLQWJMCMTZDSSV-URXFXBBRSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)sc1Br ZINC000511997329 842072943 /nfs/dbraw/zinc/07/29/43/842072943.db2.gz RRMNFUONJPBQGF-CFVMTHIKSA-N 2 1 387.387 3.847 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(C)s3)C2)C1 ZINC001167828128 842104801 /nfs/dbraw/zinc/10/48/01/842104801.db2.gz WLUCJQAREOYMSI-UWJYYQICSA-N 2 1 377.598 3.996 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@H]2[C@H](OCc3csc(C)n3)CC[C@@H]21 ZINC001167828393 842116749 /nfs/dbraw/zinc/11/67/49/842116749.db2.gz YDOTVBXVWCOIOT-UMSONDCASA-N 2 1 395.613 3.710 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Br)[C@H](C)C1 ZINC000177919391 861282300 /nfs/dbraw/zinc/28/23/00/861282300.db2.gz XCFAXVDAGGPVFT-SJLPKXTDSA-N 2 1 399.373 3.555 20 0 GHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3C[NH2+]CC4(CCOCC4)C3)CC2)cc1 ZINC000925795175 842204007 /nfs/dbraw/zinc/20/40/07/842204007.db2.gz JOQHATLTPDZPKD-MHIUNMELSA-N 2 1 386.580 3.689 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000581839291 842271495 /nfs/dbraw/zinc/27/14/95/842271495.db2.gz YUHNGOIPVBLNTK-UIFIKXQLSA-N 2 1 378.582 3.506 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000652346576 842315598 /nfs/dbraw/zinc/31/55/98/842315598.db2.gz ARCOKTLWIBEJBZ-VPWXQRGCSA-N 2 1 375.900 3.713 20 0 GHADMP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)c1OC ZINC000652354842 842353752 /nfs/dbraw/zinc/35/37/52/842353752.db2.gz JQNHMAWJJBUPDD-YOEHRIQHSA-N 2 1 375.538 3.777 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)c1OC ZINC000652354842 842353765 /nfs/dbraw/zinc/35/37/65/842353765.db2.gz JQNHMAWJJBUPDD-YOEHRIQHSA-N 2 1 375.538 3.777 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@@H]1CC[NH3+] ZINC000652355948 842355045 /nfs/dbraw/zinc/35/50/45/842355045.db2.gz NTHUWQPSQTXODY-RDTXWAMCSA-N 2 1 389.341 3.855 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000652361173 842369228 /nfs/dbraw/zinc/36/92/28/842369228.db2.gz YYJCOEGEDGXGNW-SQNIBIBYSA-N 2 1 375.900 3.856 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657320 861303379 /nfs/dbraw/zinc/30/33/79/861303379.db2.gz NMDWHHWVJVAJKI-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657320 861303395 /nfs/dbraw/zinc/30/33/95/861303395.db2.gz NMDWHHWVJVAJKI-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000510480931 842440960 /nfs/dbraw/zinc/44/09/60/842440960.db2.gz LXCVIDKPYVTUHR-VAMGGRTRSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCCO1 ZINC000432422754 842444279 /nfs/dbraw/zinc/44/42/79/842444279.db2.gz GPCJXGGIHGPSBG-MAUKXSAKSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CCCO1 ZINC000432422754 842444286 /nfs/dbraw/zinc/44/42/86/842444286.db2.gz GPCJXGGIHGPSBG-MAUKXSAKSA-N 2 1 397.357 3.753 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)s1 ZINC000512129685 842589268 /nfs/dbraw/zinc/58/92/68/842589268.db2.gz LXQWYIRUVSJOHI-UHFFFAOYSA-N 2 1 379.957 3.696 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000085400894 842719049 /nfs/dbraw/zinc/71/90/49/842719049.db2.gz JIRSPNDAULVPJY-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000510500802 842801208 /nfs/dbraw/zinc/80/12/08/842801208.db2.gz MCNNVCOYMZBXDV-RBUKOAKNSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000510500802 842801222 /nfs/dbraw/zinc/80/12/22/842801222.db2.gz MCNNVCOYMZBXDV-RBUKOAKNSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000510500802 842801231 /nfs/dbraw/zinc/80/12/31/842801231.db2.gz MCNNVCOYMZBXDV-RBUKOAKNSA-N 2 1 384.568 3.511 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512183242 842806054 /nfs/dbraw/zinc/80/60/54/842806054.db2.gz GDQFQZNLTJUTQI-IYBDPMFKSA-N 2 1 398.494 3.618 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512183242 842806061 /nfs/dbraw/zinc/80/60/61/842806061.db2.gz GDQFQZNLTJUTQI-IYBDPMFKSA-N 2 1 398.494 3.618 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512182957 842807275 /nfs/dbraw/zinc/80/72/75/842807275.db2.gz SYKQICSJZBUZBW-CALCHBBNSA-N 2 1 376.589 3.576 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)C[C@@H](C)O1 ZINC000512187528 842839244 /nfs/dbraw/zinc/83/92/44/842839244.db2.gz QSYGUTNSDPLTDM-HZPDHXFCSA-N 2 1 390.959 3.548 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1Cl ZINC000510505597 842872963 /nfs/dbraw/zinc/87/29/63/842872963.db2.gz YMKGDIDCYRJURM-OXQOHEQNSA-N 2 1 392.975 3.673 20 0 GHADMP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000510545529 842936891 /nfs/dbraw/zinc/93/68/91/842936891.db2.gz HDZFDCNFLGXGJJ-ZGXWSNOMSA-N 2 1 392.632 3.695 20 0 GHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510545529 842936901 /nfs/dbraw/zinc/93/69/01/842936901.db2.gz HDZFDCNFLGXGJJ-ZGXWSNOMSA-N 2 1 392.632 3.695 20 0 GHADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510545529 842936914 /nfs/dbraw/zinc/93/69/14/842936914.db2.gz HDZFDCNFLGXGJJ-ZGXWSNOMSA-N 2 1 392.632 3.695 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)[C@@H]1C ZINC000662224610 842959823 /nfs/dbraw/zinc/95/98/23/842959823.db2.gz PIRDAQZLOZHHFE-WAPCQROESA-N 2 1 392.676 3.907 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)[C@H]1C ZINC000662224610 842959827 /nfs/dbraw/zinc/95/98/27/842959827.db2.gz PIRDAQZLOZHHFE-WAPCQROESA-N 2 1 392.676 3.907 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](C)[C@H]1C ZINC000662224610 842959835 /nfs/dbraw/zinc/95/98/35/842959835.db2.gz PIRDAQZLOZHHFE-WAPCQROESA-N 2 1 392.676 3.907 20 0 GHADMP COc1cccc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2CCC(O)CC2)c1 ZINC000662257757 843024081 /nfs/dbraw/zinc/02/40/81/843024081.db2.gz PPKUPRATFLTQDQ-UHFFFAOYSA-N 2 1 380.532 3.647 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296005 843093184 /nfs/dbraw/zinc/09/31/84/843093184.db2.gz XGBSTLZTNWWCSH-CRAIPNDOSA-N 2 1 397.519 3.674 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296005 843093190 /nfs/dbraw/zinc/09/31/90/843093190.db2.gz XGBSTLZTNWWCSH-CRAIPNDOSA-N 2 1 397.519 3.674 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1F ZINC000662297270 843095074 /nfs/dbraw/zinc/09/50/74/843095074.db2.gz OXZVUDPNBGOTGG-LJQANCHMSA-N 2 1 386.515 3.828 20 0 GHADMP COc1cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000512213841 843109028 /nfs/dbraw/zinc/10/90/28/843109028.db2.gz UHHZLNIFVVZEQT-ZWKOTPCHSA-N 2 1 376.541 3.799 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000178540725 861381344 /nfs/dbraw/zinc/38/13/44/861381344.db2.gz ZKTRZKGHMLFTRV-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000178540725 861381355 /nfs/dbraw/zinc/38/13/55/861381355.db2.gz ZKTRZKGHMLFTRV-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000178540725 861381368 /nfs/dbraw/zinc/38/13/68/861381368.db2.gz ZKTRZKGHMLFTRV-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662316528 843142748 /nfs/dbraw/zinc/14/27/48/843142748.db2.gz WRXQOCBTYYFJEY-QIJUGHKUSA-N 2 1 387.568 3.588 20 0 GHADMP Clc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336138 843147030 /nfs/dbraw/zinc/14/70/30/843147030.db2.gz VTZMPSOHXUTRKK-AWEZNQCLSA-N 2 1 394.350 3.506 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182303291 843165235 /nfs/dbraw/zinc/16/52/35/843165235.db2.gz UFEXOWXGLDNUDT-GOTSBHOMSA-N 2 1 398.595 3.544 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCC[C@@H]1CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000510676853 843182482 /nfs/dbraw/zinc/18/24/82/843182482.db2.gz AWXMTJAPEAPCGN-HSZRJFAPSA-N 2 1 384.612 3.667 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1CN1CCCCC1)C1CC[NH+](C)CC1 ZINC000510676853 843182488 /nfs/dbraw/zinc/18/24/88/843182488.db2.gz AWXMTJAPEAPCGN-HSZRJFAPSA-N 2 1 384.612 3.667 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000178712197 861400820 /nfs/dbraw/zinc/40/08/20/861400820.db2.gz AIYQEJKWBMICIM-JEWRLFTDSA-N 2 1 380.374 3.594 20 0 GHADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000430965460 843279518 /nfs/dbraw/zinc/27/95/18/843279518.db2.gz JRMQELUORBPOIF-SFHVURJKSA-N 2 1 376.504 3.589 20 0 GHADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000430965460 843279520 /nfs/dbraw/zinc/27/95/20/843279520.db2.gz JRMQELUORBPOIF-SFHVURJKSA-N 2 1 376.504 3.589 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000662484483 843322387 /nfs/dbraw/zinc/32/23/87/843322387.db2.gz LFNQLUDMYDCAMY-HTAPYJJXSA-N 2 1 379.504 3.580 20 0 GHADMP C[N@H+](CCCOc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512294026 843337880 /nfs/dbraw/zinc/33/78/80/843337880.db2.gz HRBGAHYHOMGOLT-UHFFFAOYSA-N 2 1 382.504 3.781 20 0 GHADMP C[N@@H+](CCCOc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000512294026 843337892 /nfs/dbraw/zinc/33/78/92/843337892.db2.gz HRBGAHYHOMGOLT-UHFFFAOYSA-N 2 1 382.504 3.781 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1Cl ZINC000662505520 843350264 /nfs/dbraw/zinc/35/02/64/843350264.db2.gz NLQPYOXFXHDTCA-IRWQIABSSA-N 2 1 396.362 3.729 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1Cl ZINC000662505520 843350277 /nfs/dbraw/zinc/35/02/77/843350277.db2.gz NLQPYOXFXHDTCA-IRWQIABSSA-N 2 1 396.362 3.729 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1Cl ZINC000662505519 843350629 /nfs/dbraw/zinc/35/06/29/843350629.db2.gz NLQPYOXFXHDTCA-FMEYXAORSA-N 2 1 396.362 3.729 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1Cl ZINC000662505519 843350642 /nfs/dbraw/zinc/35/06/42/843350642.db2.gz NLQPYOXFXHDTCA-FMEYXAORSA-N 2 1 396.362 3.729 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662587432 843423617 /nfs/dbraw/zinc/42/36/17/843423617.db2.gz CYYQBEGSYKMPRE-SFTDATJTSA-N 2 1 398.595 3.731 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000512349916 843494269 /nfs/dbraw/zinc/49/42/69/843494269.db2.gz CSBDSIOYBYCVQG-MFGYPMPUSA-N 2 1 380.532 3.593 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675654 843510431 /nfs/dbraw/zinc/51/04/31/843510431.db2.gz PBBMVTXXTQEVAE-QVKFZJNVSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675654 843510444 /nfs/dbraw/zinc/51/04/44/843510444.db2.gz PBBMVTXXTQEVAE-QVKFZJNVSA-N 2 1 387.474 3.655 20 0 GHADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681688 843516052 /nfs/dbraw/zinc/51/60/52/843516052.db2.gz BDLNSDXBNYOPPE-HXUWFJFHSA-N 2 1 395.572 3.638 20 0 GHADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1([NH2+]C2CC2)CCC1 ZINC000662681688 843516060 /nfs/dbraw/zinc/51/60/60/843516060.db2.gz BDLNSDXBNYOPPE-HXUWFJFHSA-N 2 1 395.572 3.638 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000510840875 843606227 /nfs/dbraw/zinc/60/62/27/843606227.db2.gz CNRAJDBAPIHGPL-FQEVSTJZSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000510840875 843606235 /nfs/dbraw/zinc/60/62/35/843606235.db2.gz CNRAJDBAPIHGPL-FQEVSTJZSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000510840875 843606245 /nfs/dbraw/zinc/60/62/45/843606245.db2.gz CNRAJDBAPIHGPL-FQEVSTJZSA-N 2 1 379.548 3.923 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000512392152 843624569 /nfs/dbraw/zinc/62/45/69/843624569.db2.gz SIDCPDDBOIXGKN-PKTZIBPZSA-N 2 1 380.532 3.830 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4cccc5cccnc54)CC3)C2)cc1 ZINC000512409192 843717243 /nfs/dbraw/zinc/71/72/43/843717243.db2.gz LZWZLOXIVMESLZ-DEOSSOPVSA-N 2 1 386.543 3.627 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512418982 843746808 /nfs/dbraw/zinc/74/68/08/843746808.db2.gz UJBRIQUWWUYKNL-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000500688020 843836405 /nfs/dbraw/zinc/83/64/05/843836405.db2.gz PAOHKWIZSURHOQ-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000500688020 843836413 /nfs/dbraw/zinc/83/64/13/843836413.db2.gz PAOHKWIZSURHOQ-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000500688020 843836424 /nfs/dbraw/zinc/83/64/24/843836424.db2.gz PAOHKWIZSURHOQ-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500719479 843881585 /nfs/dbraw/zinc/88/15/85/843881585.db2.gz ZYZTYQKEWIZYED-KNQAVFIVSA-N 2 1 386.584 3.585 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OCc1cccnc1 ZINC000237167344 843914733 /nfs/dbraw/zinc/91/47/33/843914733.db2.gz UQZUBMNWQATWNI-QGZVFWFLSA-N 2 1 380.492 3.600 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3[nH]nc4ccccc43)C3(C2)CCOCC3)cc1 ZINC000645199022 843925381 /nfs/dbraw/zinc/92/53/81/843925381.db2.gz YVZSSMKYGMQXNY-FQEVSTJZSA-N 2 1 390.531 3.581 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@@H]4CCc5ccccc5C4)CC3)C2)cc1 ZINC000512477935 843958432 /nfs/dbraw/zinc/95/84/32/843958432.db2.gz AQPAFYZHVJIMCT-BVAGGSTKSA-N 2 1 389.587 3.684 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500781413 844004984 /nfs/dbraw/zinc/00/49/84/844004984.db2.gz VOZCGAMPXPZTQT-LJQANCHMSA-N 2 1 380.621 3.650 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(Cn4ccnc4)cc3)CC2)cc1 ZINC000152105013 844729064 /nfs/dbraw/zinc/72/90/64/844729064.db2.gz LXQQYQJUWSERPS-UHFFFAOYSA-N 2 1 392.522 3.867 20 0 GHADMP Cc1cc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccc1C[NH+](C)C ZINC000458295440 844802885 /nfs/dbraw/zinc/80/28/85/844802885.db2.gz WNHMJIQQXYSPJC-RTBURBONSA-N 2 1 395.547 3.918 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)c(F)c1 ZINC000246570017 844847963 /nfs/dbraw/zinc/84/79/63/844847963.db2.gz MABBUIFTFVRFOW-DNVCBOLYSA-N 2 1 387.474 3.513 20 0 GHADMP O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512647356 844890915 /nfs/dbraw/zinc/89/09/15/844890915.db2.gz HPFWUNBWXXKUKP-RJGXRXQPSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179395005 861563276 /nfs/dbraw/zinc/56/32/76/861563276.db2.gz JDZZQRDSRGTFHL-IBGZPJMESA-N 2 1 390.535 3.962 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000179397543 861563986 /nfs/dbraw/zinc/56/39/86/861563986.db2.gz LIJNPYFSJWXJMP-UHFFFAOYSA-N 2 1 387.549 3.977 20 0 GHADMP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)CC1 ZINC000433127327 845461046 /nfs/dbraw/zinc/46/10/46/845461046.db2.gz RUGMVOYTPYDMHE-UHFFFAOYSA-N 2 1 383.540 3.752 20 0 GHADMP COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000513506403 845543215 /nfs/dbraw/zinc/54/32/15/845543215.db2.gz QAJYBBSHLGYUAG-HKUYNNGSSA-N 2 1 382.504 3.814 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000433943509 845641815 /nfs/dbraw/zinc/64/18/15/845641815.db2.gz UOBUOEJPGJSEMC-LSWJPFSZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000433943509 845641822 /nfs/dbraw/zinc/64/18/22/845641822.db2.gz UOBUOEJPGJSEMC-LSWJPFSZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000433943509 845641828 /nfs/dbraw/zinc/64/18/28/845641828.db2.gz UOBUOEJPGJSEMC-LSWJPFSZSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000103169215 845673300 /nfs/dbraw/zinc/67/33/00/845673300.db2.gz LARYHWVWBDNDOZ-UHFFFAOYSA-N 2 1 381.501 3.890 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179515321 861612888 /nfs/dbraw/zinc/61/28/88/861612888.db2.gz BYCPBHVJQFNHLM-IAGOWNOFSA-N 2 1 387.487 3.630 20 0 GHADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513656377 846197861 /nfs/dbraw/zinc/19/78/61/846197861.db2.gz RZTRNQGRXYOOAJ-GMKZXUHWSA-N 2 1 380.580 3.860 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)c2)CC1 ZINC000414333958 846223369 /nfs/dbraw/zinc/22/33/69/846223369.db2.gz UFOSMAYZOJJOEV-UHFFFAOYSA-N 2 1 392.590 3.673 20 0 GHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1OC ZINC000280283734 846350844 /nfs/dbraw/zinc/35/08/44/846350844.db2.gz MXZUSZCZGLSPQA-ZWKOTPCHSA-N 2 1 378.557 3.675 20 0 GHADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501046189 846572632 /nfs/dbraw/zinc/57/26/32/846572632.db2.gz LNZXMAKAECNQLP-LJQANCHMSA-N 2 1 380.536 3.874 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501070071 846600688 /nfs/dbraw/zinc/60/06/88/846600688.db2.gz QWGGKTBIILIDGI-HSZRJFAPSA-N 2 1 397.563 3.595 20 0 GHADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075650 846616740 /nfs/dbraw/zinc/61/67/40/846616740.db2.gz KNUKTZBPCPPFBS-OAHLLOKOSA-N 2 1 388.462 3.535 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)cn1C ZINC000582208269 846632816 /nfs/dbraw/zinc/63/28/16/846632816.db2.gz OMMNCOZOIAAVEU-UHFFFAOYSA-N 2 1 383.536 3.866 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c(N2CCCC2)[nH+]1 ZINC000684795905 846646447 /nfs/dbraw/zinc/64/64/47/846646447.db2.gz WILQAGDKRGKEOA-OAQYLSRUSA-N 2 1 399.583 3.587 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c(N2CCCC2)[nH+]1 ZINC000684795905 846646457 /nfs/dbraw/zinc/64/64/57/846646457.db2.gz WILQAGDKRGKEOA-OAQYLSRUSA-N 2 1 399.583 3.587 20 0 GHADMP COC(=O)[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccc(F)cc1 ZINC000161187271 846659099 /nfs/dbraw/zinc/65/90/99/846659099.db2.gz FWCWYGQQZWPFJO-JOCHJYFZSA-N 2 1 399.510 3.930 20 0 GHADMP CC[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CC1(C)C ZINC000419597518 846682542 /nfs/dbraw/zinc/68/25/42/846682542.db2.gz RNFKPLSRDMYSPM-LEWJYISDSA-N 2 1 392.632 3.649 20 0 GHADMP CC[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CC1(C)C ZINC000419597521 846682731 /nfs/dbraw/zinc/68/27/31/846682731.db2.gz RNFKPLSRDMYSPM-RTWAWAEBSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000503036590 846737965 /nfs/dbraw/zinc/73/79/65/846737965.db2.gz QMQSUXRUTWHMSL-FPOVZHCZSA-N 2 1 395.547 3.775 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@@H+]1C ZINC000389226845 861717368 /nfs/dbraw/zinc/71/73/68/861717368.db2.gz WOSRDFQRRPYIML-PWSUYJOCSA-N 2 1 381.236 3.920 20 0 GHADMP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1OCCc2sccc21 ZINC000429130082 861713958 /nfs/dbraw/zinc/71/39/58/861713958.db2.gz BYDBCOZBNQTVGK-LRXVAGHRSA-N 2 1 386.561 3.631 20 0 GHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1OCCc2sccc21 ZINC000429130082 861713969 /nfs/dbraw/zinc/71/39/69/861713969.db2.gz BYDBCOZBNQTVGK-LRXVAGHRSA-N 2 1 386.561 3.631 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@H+]1C ZINC000389226845 861717385 /nfs/dbraw/zinc/71/73/85/861717385.db2.gz WOSRDFQRRPYIML-PWSUYJOCSA-N 2 1 381.236 3.920 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)CCCC1)c1ccccc1 ZINC000503151523 846844937 /nfs/dbraw/zinc/84/49/37/846844937.db2.gz LFPQIQQQLKCZAN-UYAOXDASSA-N 2 1 398.551 3.845 20 0 GHADMP CCCCCn1nc(C)cc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582369348 846972753 /nfs/dbraw/zinc/97/27/53/846972753.db2.gz JQTILTNFPCHTOS-UHFFFAOYSA-N 2 1 389.588 3.517 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000501517351 846978594 /nfs/dbraw/zinc/97/85/94/846978594.db2.gz GKDOAYVNUSHEJB-OALUTQOASA-N 2 1 394.629 3.864 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000420327282 847126051 /nfs/dbraw/zinc/12/60/51/847126051.db2.gz YCZRIVXIXCMQIF-LJQANCHMSA-N 2 1 396.510 3.831 20 0 GHADMP [NH3+]C[C@H]([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCCCC1 ZINC000420356961 847136921 /nfs/dbraw/zinc/13/69/21/847136921.db2.gz CZWZJNCPYLWDOH-UGKGYDQZSA-N 2 1 385.577 3.841 20 0 GHADMP C[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272868205 847194386 /nfs/dbraw/zinc/19/43/86/847194386.db2.gz VVKCEUNMTPDCEE-QUCCMNQESA-N 2 1 380.536 3.509 20 0 GHADMP C[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272868205 847194396 /nfs/dbraw/zinc/19/43/96/847194396.db2.gz VVKCEUNMTPDCEE-QUCCMNQESA-N 2 1 380.536 3.509 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501828451 847219407 /nfs/dbraw/zinc/21/94/07/847219407.db2.gz PJLFVQKFWBKIGF-IFMALSPDSA-N 2 1 386.584 3.635 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)CC2)CC1 ZINC000422217829 847476567 /nfs/dbraw/zinc/47/65/67/847476567.db2.gz XRQIOKWEKLEISM-IBGZPJMESA-N 2 1 398.595 3.827 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903523 847522288 /nfs/dbraw/zinc/52/22/88/847522288.db2.gz ATZMHGQGFGOCHF-QPPBQGQZSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903523 847522293 /nfs/dbraw/zinc/52/22/93/847522293.db2.gz ATZMHGQGFGOCHF-QPPBQGQZSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903523 847522303 /nfs/dbraw/zinc/52/23/03/847522303.db2.gz ATZMHGQGFGOCHF-QPPBQGQZSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903523 847522312 /nfs/dbraw/zinc/52/23/12/847522312.db2.gz ATZMHGQGFGOCHF-QPPBQGQZSA-N 2 1 385.596 3.605 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000502158449 847561925 /nfs/dbraw/zinc/56/19/25/847561925.db2.gz POESXWSECYAZPU-JYRKZWEQSA-N 2 1 398.551 3.529 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000420982501 847589143 /nfs/dbraw/zinc/58/91/43/847589143.db2.gz OWTOLWRHHVIBLL-UHFFFAOYSA-N 2 1 386.971 3.880 20 0 GHADMP COc1cc(F)c([C@H](C)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422732301 847787412 /nfs/dbraw/zinc/78/74/12/847787412.db2.gz PMTJAOUJEQXTMG-VELBRHGASA-N 2 1 386.467 3.749 20 0 GHADMP COc1ccc([C@H](NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422722921 847796580 /nfs/dbraw/zinc/79/65/80/847796580.db2.gz ZCPDNGOCUUJURN-BUVFEPMLSA-N 2 1 385.577 3.586 20 0 GHADMP COc1ccc([C@H](NC[C@@H](C)[N@H+]2CCc3sccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422722921 847796583 /nfs/dbraw/zinc/79/65/83/847796583.db2.gz ZCPDNGOCUUJURN-BUVFEPMLSA-N 2 1 385.577 3.586 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422726307 847800242 /nfs/dbraw/zinc/80/02/42/847800242.db2.gz DLLBXCOKMVCISD-VNTMZGSJSA-N 2 1 381.486 3.790 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000422726307 847800246 /nfs/dbraw/zinc/80/02/46/847800246.db2.gz DLLBXCOKMVCISD-VNTMZGSJSA-N 2 1 381.486 3.790 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422787096 847822730 /nfs/dbraw/zinc/82/27/30/847822730.db2.gz LVDBZJOMGSBXLU-VWNXMTODSA-N 2 1 379.548 3.874 20 0 GHADMP C[C@H](CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422822573 847840814 /nfs/dbraw/zinc/84/08/14/847840814.db2.gz KDLMURVETRFSRA-CKUXNOBLSA-N 2 1 379.548 3.743 20 0 GHADMP C[C@H](CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000422822573 847840828 /nfs/dbraw/zinc/84/08/28/847840828.db2.gz KDLMURVETRFSRA-CKUXNOBLSA-N 3 1 379.548 3.743 20 0 GHADMP C[C@H](CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422822573 847840837 /nfs/dbraw/zinc/84/08/37/847840837.db2.gz KDLMURVETRFSRA-CKUXNOBLSA-N 3 1 379.548 3.743 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422901281 847878476 /nfs/dbraw/zinc/87/84/76/847878476.db2.gz RVCDBCXPFWSJHC-UKILVPOCSA-N 2 1 391.559 3.805 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000422944002 847907117 /nfs/dbraw/zinc/90/71/17/847907117.db2.gz LWPVVOIDCLWRLB-JZOVEWSMSA-N 2 1 385.596 3.696 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000423005672 847934997 /nfs/dbraw/zinc/93/49/97/847934997.db2.gz MUDYSHKPHNOTOX-QGZVFWFLSA-N 3 1 378.520 3.925 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000423005672 847935004 /nfs/dbraw/zinc/93/50/04/847935004.db2.gz MUDYSHKPHNOTOX-QGZVFWFLSA-N 2 1 378.520 3.925 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1CCCCC1 ZINC000414712758 847947010 /nfs/dbraw/zinc/94/70/10/847947010.db2.gz OINOVIVLWTWZAG-KDURUIRLSA-N 2 1 384.568 3.914 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000582748284 848271774 /nfs/dbraw/zinc/27/17/74/848271774.db2.gz FRZMFJJXHMBNKA-UHFFFAOYSA-N 2 1 388.562 3.887 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000582761643 848313915 /nfs/dbraw/zinc/31/39/15/848313915.db2.gz YEPHHVZQZVXBGZ-IERDGZPVSA-N 2 1 399.502 3.885 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000180031861 861914569 /nfs/dbraw/zinc/91/45/69/861914569.db2.gz LJVJGZYLHCTOQR-DEOSSOPVSA-N 2 1 395.547 3.834 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@H](C)Cn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000582862900 848577943 /nfs/dbraw/zinc/57/79/43/848577943.db2.gz WQRCGGMGHNCNLP-UGKGYDQZSA-N 2 1 397.567 3.524 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000582862900 848577956 /nfs/dbraw/zinc/57/79/56/848577956.db2.gz WQRCGGMGHNCNLP-UGKGYDQZSA-N 2 1 397.567 3.524 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000731896218 861943583 /nfs/dbraw/zinc/94/35/83/861943583.db2.gz DFJSRSQACUQWIB-UHFFFAOYSA-N 2 1 377.598 3.994 20 0 GHADMP Cc1cn2c(n1)[C@H](CNCc1cn(-c3ccc(Cl)cc3Cl)nn1)CCC2 ZINC000535942002 849180042 /nfs/dbraw/zinc/18/00/42/849180042.db2.gz DTGWLTIHMOHNQI-ZDUSSCGKSA-N 2 1 391.306 3.746 20 0 GHADMP CC[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1c(C)noc1C ZINC000155799424 849643697 /nfs/dbraw/zinc/64/36/97/849643697.db2.gz SDZVBVVJSNZDHI-LAUBAEHRSA-N 2 1 398.551 3.501 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC[N@@H+]1C ZINC000503902879 849750912 /nfs/dbraw/zinc/75/09/12/849750912.db2.gz OWKRCZQRKGTJAP-JQWIXIFHSA-N 2 1 378.685 3.517 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC[N@H+]1C ZINC000503902879 849750923 /nfs/dbraw/zinc/75/09/23/849750923.db2.gz OWKRCZQRKGTJAP-JQWIXIFHSA-N 2 1 378.685 3.517 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423346596 849864282 /nfs/dbraw/zinc/86/42/82/849864282.db2.gz YUADBZQOVJRCMW-LHXUXXTBSA-N 2 1 393.575 3.641 20 0 GHADMP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431594 849927860 /nfs/dbraw/zinc/92/78/60/849927860.db2.gz LXOSVVFGXKXZRS-JWFUOXDNSA-N 2 1 378.339 3.749 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C ZINC000544236065 849961165 /nfs/dbraw/zinc/96/11/65/849961165.db2.gz LXBNBGHXKUCGBC-UYAOXDASSA-N 2 1 388.600 3.976 20 0 GHADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CCC(c2c[nH]cn2)CC1 ZINC000434988983 849976112 /nfs/dbraw/zinc/97/61/12/849976112.db2.gz YQEBLGNXANMNHH-UHFFFAOYSA-N 2 1 381.307 3.555 20 0 GHADMP COc1cc2c(c(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)c1)O[C@@H](C)C2 ZINC000435060730 850036142 /nfs/dbraw/zinc/03/61/42/850036142.db2.gz MKLWJFDGWKSQOY-INIZCTEOSA-N 2 1 381.520 3.931 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000504418592 850065736 /nfs/dbraw/zinc/06/57/36/850065736.db2.gz KTVFDHBTLKZYAI-RBBKRZOGSA-N 2 1 388.600 3.657 20 0 GHADMP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486828167 850147000 /nfs/dbraw/zinc/14/70/00/850147000.db2.gz VBJGYBIPDGRIOG-GHTZIAJQSA-N 2 1 380.536 3.780 20 0 GHADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000518849512 850219772 /nfs/dbraw/zinc/21/97/72/850219772.db2.gz KKHNTGNZMHANGU-PXNSSMCTSA-N 2 1 397.950 3.998 20 0 GHADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000518849512 850219780 /nfs/dbraw/zinc/21/97/80/850219780.db2.gz KKHNTGNZMHANGU-PXNSSMCTSA-N 2 1 397.950 3.998 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1OC ZINC000424288536 850333961 /nfs/dbraw/zinc/33/39/61/850333961.db2.gz KMYIRLSGEVBWPL-HNNXBMFYSA-N 2 1 387.549 3.791 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000424289059 850334754 /nfs/dbraw/zinc/33/47/54/850334754.db2.gz LILRPZNLNFVDAS-LBPRGKRZSA-N 2 1 389.849 3.761 20 0 GHADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424293666 850337220 /nfs/dbraw/zinc/33/72/20/850337220.db2.gz PKJYLIMAPDLJKH-SIKLNZKXSA-N 2 1 399.579 3.603 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424281432 850351578 /nfs/dbraw/zinc/35/15/78/850351578.db2.gz NMPSEEGBAYUVAI-FGZHOGPDSA-N 2 1 393.556 3.783 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1)CC[NH2+]CC2 ZINC000424302040 850371632 /nfs/dbraw/zinc/37/16/32/850371632.db2.gz YUESZZBTWQJQTQ-LJQANCHMSA-N 2 1 377.532 3.680 20 0 GHADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cn(Cc4ccccc4)c4ccccc34)CC2)C1 ZINC000668740241 850470130 /nfs/dbraw/zinc/47/01/30/850470130.db2.gz GZHPRIFSQFKMIU-QHCPKHFHSA-N 2 1 389.543 3.721 20 0 GHADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cn(Cc4ccccc4)c4ccccc34)CC2)C1 ZINC000668740241 850470136 /nfs/dbraw/zinc/47/01/36/850470136.db2.gz GZHPRIFSQFKMIU-QHCPKHFHSA-N 2 1 389.543 3.721 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)F)c(Br)c2)CCN1C ZINC000180424189 862132117 /nfs/dbraw/zinc/13/21/17/862132117.db2.gz YPWIETHUNVZJOE-WCQYABFASA-N 2 1 377.273 3.965 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000514937055 850508806 /nfs/dbraw/zinc/50/88/06/850508806.db2.gz FTTIVTRVXXLXHR-FQEVSTJZSA-N 2 1 396.531 3.869 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000514937055 850508820 /nfs/dbraw/zinc/50/88/20/850508820.db2.gz FTTIVTRVXXLXHR-FQEVSTJZSA-N 2 1 396.531 3.869 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965894 850715774 /nfs/dbraw/zinc/71/57/74/850715774.db2.gz PMPUUYLSGVTKIM-FCFHUKJJSA-N 2 1 395.563 3.577 20 0 GHADMP C[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000505259611 850767244 /nfs/dbraw/zinc/76/72/44/850767244.db2.gz AXEGOQXMUMVKED-HXUWFJFHSA-N 2 1 383.580 3.548 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1F ZINC000435692448 850772316 /nfs/dbraw/zinc/77/23/16/850772316.db2.gz JXHARLPTAIUGFB-LJQANCHMSA-N 2 1 387.524 3.860 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440142911 850829782 /nfs/dbraw/zinc/82/97/82/850829782.db2.gz DETAIBKDFFLLJP-OAQYLSRUSA-N 2 1 387.593 3.623 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000515301946 850892199 /nfs/dbraw/zinc/89/21/99/850892199.db2.gz VUSFQRYDNGAKSX-WMZHIEFXSA-N 2 1 391.559 3.794 20 0 GHADMP COC(=O)[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000425429737 851059171 /nfs/dbraw/zinc/05/91/71/851059171.db2.gz ATUOHECGNCPZOA-WWPVKYPJSA-N 2 1 380.532 3.834 20 0 GHADMP COC(=O)[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000425429737 851059184 /nfs/dbraw/zinc/05/91/84/851059184.db2.gz ATUOHECGNCPZOA-WWPVKYPJSA-N 2 1 380.532 3.834 20 0 GHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000488172395 851224277 /nfs/dbraw/zinc/22/42/77/851224277.db2.gz VOHJKQQMDXPUDV-MIZPHKNDSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000434544909 851262759 /nfs/dbraw/zinc/26/27/59/851262759.db2.gz PVDUTGADEVWAKK-IEBWSBKVSA-N 2 1 377.598 3.882 20 0 GHADMP C[C@H](CC1CCOCC1)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000434544909 851262769 /nfs/dbraw/zinc/26/27/69/851262769.db2.gz PVDUTGADEVWAKK-IEBWSBKVSA-N 2 1 377.598 3.882 20 0 GHADMP CCCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514198115 851364778 /nfs/dbraw/zinc/36/47/78/851364778.db2.gz ZADLAIQYRHNNLN-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccsc1 ZINC000514224893 851418977 /nfs/dbraw/zinc/41/89/77/851418977.db2.gz IRVZHZZNHODTAI-IBGZPJMESA-N 2 1 380.602 3.695 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000110791768 851443406 /nfs/dbraw/zinc/44/34/06/851443406.db2.gz STEIIVKXDMZADR-IBGZPJMESA-N 2 1 395.547 3.866 20 0 GHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436313722 851446878 /nfs/dbraw/zinc/44/68/78/851446878.db2.gz LYYCXSCOURBTTN-SJORKVTESA-N 2 1 376.850 3.826 20 0 GHADMP CCN(C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000434683636 851490820 /nfs/dbraw/zinc/49/08/20/851490820.db2.gz DTTDMEJLMYQTNN-GOSISDBHSA-N 2 1 386.584 3.969 20 0 GHADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[C@@H]1C ZINC000303146599 851535353 /nfs/dbraw/zinc/53/53/53/851535353.db2.gz FJFPJAPYRGTBFH-TXTKFYIRSA-N 2 1 385.596 3.771 20 0 GHADMP Fc1cc(F)cc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167973141 851636158 /nfs/dbraw/zinc/63/61/58/851636158.db2.gz HTKNCRHNGVUYHD-NOTZXAQLSA-N 2 1 389.534 3.924 20 0 GHADMP C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000488665687 851680780 /nfs/dbraw/zinc/68/07/80/851680780.db2.gz NHGYKILSYHVQNK-FQEVSTJZSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000488665687 851680785 /nfs/dbraw/zinc/68/07/85/851680785.db2.gz NHGYKILSYHVQNK-FQEVSTJZSA-N 2 1 391.559 3.556 20 0 GHADMP CC1(C)C[N@H+](CC(=O)NCc2ccco2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836610 851821957 /nfs/dbraw/zinc/82/19/57/851821957.db2.gz AWLZDNAHWJTYSB-QHCPKHFHSA-N 2 1 395.547 3.518 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)NCc2ccco2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836610 851821967 /nfs/dbraw/zinc/82/19/67/851821967.db2.gz AWLZDNAHWJTYSB-QHCPKHFHSA-N 2 1 395.547 3.518 20 0 GHADMP CCCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000101779206 851916194 /nfs/dbraw/zinc/91/61/94/851916194.db2.gz AYAXOQYCRJZXJV-HSZRJFAPSA-N 2 1 398.595 3.699 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000438084061 852024858 /nfs/dbraw/zinc/02/48/58/852024858.db2.gz ZKHKUQBRHDMWAL-IBGZPJMESA-N 2 1 394.515 3.626 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000438084061 852024869 /nfs/dbraw/zinc/02/48/69/852024869.db2.gz ZKHKUQBRHDMWAL-IBGZPJMESA-N 2 1 394.515 3.626 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C2(CC2)C1 ZINC001167982081 852057653 /nfs/dbraw/zinc/05/76/53/852057653.db2.gz VRKVYKHGSZYILZ-RAFMOHDBSA-N 2 1 389.584 3.771 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982813 852111968 /nfs/dbraw/zinc/11/19/68/852111968.db2.gz BDZPDCUKWHZMFH-BLMTVLTRSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982813 852111974 /nfs/dbraw/zinc/11/19/74/852111974.db2.gz BDZPDCUKWHZMFH-BLMTVLTRSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982813 852111976 /nfs/dbraw/zinc/11/19/76/852111976.db2.gz BDZPDCUKWHZMFH-BLMTVLTRSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982813 852111979 /nfs/dbraw/zinc/11/19/79/852111979.db2.gz BDZPDCUKWHZMFH-BLMTVLTRSA-N 2 1 377.573 3.723 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517740593 852328917 /nfs/dbraw/zinc/32/89/17/852328917.db2.gz WRTOHNKTTINEAK-ZCNNSNEGSA-N 2 1 380.621 3.506 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517740593 852328926 /nfs/dbraw/zinc/32/89/26/852328926.db2.gz WRTOHNKTTINEAK-ZCNNSNEGSA-N 2 1 380.621 3.506 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000517740593 852328940 /nfs/dbraw/zinc/32/89/40/852328940.db2.gz WRTOHNKTTINEAK-ZCNNSNEGSA-N 2 1 380.621 3.506 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCC[C@H]1C ZINC000506916576 852330290 /nfs/dbraw/zinc/33/02/90/852330290.db2.gz JSZGPWBDVKDLCC-CGXNFDGLSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1CCCC[C@H]1C ZINC000506916576 852330294 /nfs/dbraw/zinc/33/02/94/852330294.db2.gz JSZGPWBDVKDLCC-CGXNFDGLSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCCC[C@H]1C ZINC000506916576 852330300 /nfs/dbraw/zinc/33/03/00/852330300.db2.gz JSZGPWBDVKDLCC-CGXNFDGLSA-N 2 1 378.605 3.545 20 0 GHADMP Cc1ccc(CNC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000489656027 852492795 /nfs/dbraw/zinc/49/27/95/852492795.db2.gz AJIRIPHBSKCEHQ-UHFFFAOYSA-N 2 1 397.538 3.594 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489659392 852513447 /nfs/dbraw/zinc/51/34/47/852513447.db2.gz OCTMNPCYQMWWNR-UHFFFAOYSA-N 2 1 399.501 3.630 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489659392 852513449 /nfs/dbraw/zinc/51/34/49/852513449.db2.gz OCTMNPCYQMWWNR-UHFFFAOYSA-N 2 1 399.501 3.630 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000489678265 852527443 /nfs/dbraw/zinc/52/74/43/852527443.db2.gz NSCJKLUPNAKFCH-LJQANCHMSA-N 2 1 388.556 3.525 20 0 GHADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414935419 852580367 /nfs/dbraw/zinc/58/03/67/852580367.db2.gz GBDXVAMGIMSIKG-KBXCAEBGSA-N 2 1 390.325 3.511 20 0 GHADMP COc1cccc([C@H]2[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000427089876 852716892 /nfs/dbraw/zinc/71/68/92/852716892.db2.gz RJHMZCPZODEKCO-YADHBBJMSA-N 2 1 399.579 3.601 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c2ccccc2C1 ZINC000490145948 852769732 /nfs/dbraw/zinc/76/97/32/852769732.db2.gz XFOFQIYPANUSLO-QFIPXVFZSA-N 2 1 392.478 3.903 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000506334965 852778844 /nfs/dbraw/zinc/77/88/44/852778844.db2.gz MNTPLNPNRXGXNU-QFIPXVFZSA-N 2 1 392.632 3.652 20 0 GHADMP c1nnn(Cc2ccccc2)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000490839416 853304179 /nfs/dbraw/zinc/30/41/79/853304179.db2.gz WUZDGFVNCOTIDS-UHFFFAOYSA-N 2 1 389.547 3.992 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3cccs3)C(C)C)CC2)CC1 ZINC000519643722 853352880 /nfs/dbraw/zinc/35/28/80/853352880.db2.gz IIKIBHOZNPENQE-UHFFFAOYSA-N 2 1 377.598 3.681 20 0 GHADMP C[C@@H]1C[N@@H+](CCCOc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490956718 853369293 /nfs/dbraw/zinc/36/92/93/853369293.db2.gz AXWLQFCXYPLLKQ-OFNKIYASSA-N 2 1 387.612 3.711 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963907 853374726 /nfs/dbraw/zinc/37/47/26/853374726.db2.gz IMQURMMCRLIKJU-PXDATVDWSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490963907 853374734 /nfs/dbraw/zinc/37/47/34/853374734.db2.gz IMQURMMCRLIKJU-PXDATVDWSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623866344 862467187 /nfs/dbraw/zinc/46/71/87/862467187.db2.gz RTCVWNYRIKWEKG-WMQCIHAUSA-N 2 1 399.560 3.765 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)CCOc1ccccc1F)C1CC[NH+](C)CC1 ZINC000506152605 853618247 /nfs/dbraw/zinc/61/82/47/853618247.db2.gz GIWGLKJPZMRZEY-UHFFFAOYSA-N 2 1 385.527 3.867 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000843740246 853642874 /nfs/dbraw/zinc/64/28/74/853642874.db2.gz QENZKCKVAZMRJC-PZJWPPBQSA-N 2 1 381.520 3.878 20 0 GHADMP Cc1csc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)n1 ZINC000623885523 862499406 /nfs/dbraw/zinc/49/94/06/862499406.db2.gz AJVPGWRRVMCHSU-KRWDZBQOSA-N 2 1 389.565 3.792 20 0 GHADMP Cc1csc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)n1 ZINC000623885523 862499415 /nfs/dbraw/zinc/49/94/15/862499415.db2.gz AJVPGWRRVMCHSU-KRWDZBQOSA-N 2 1 389.565 3.792 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378526 853800859 /nfs/dbraw/zinc/80/08/59/853800859.db2.gz WJXVPFXNHQPWLN-XMMPIXPASA-N 2 1 397.607 3.616 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC[C@@H]21 ZINC001167988988 853805545 /nfs/dbraw/zinc/80/55/45/853805545.db2.gz WGFWRRUHTQXJHZ-JKMPKNINSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@@H]21 ZINC001167988988 853805548 /nfs/dbraw/zinc/80/55/48/853805548.db2.gz WGFWRRUHTQXJHZ-JKMPKNINSA-N 2 1 389.584 3.723 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000441345760 854137358 /nfs/dbraw/zinc/13/73/58/854137358.db2.gz HOUZGQSFMDKZGV-HOTGVXAUSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000441345760 854137361 /nfs/dbraw/zinc/13/73/61/854137361.db2.gz HOUZGQSFMDKZGV-HOTGVXAUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000441345760 854137364 /nfs/dbraw/zinc/13/73/64/854137364.db2.gz HOUZGQSFMDKZGV-HOTGVXAUSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000441345760 854137366 /nfs/dbraw/zinc/13/73/66/854137366.db2.gz HOUZGQSFMDKZGV-HOTGVXAUSA-N 2 1 375.340 3.539 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000520405229 854175502 /nfs/dbraw/zinc/17/55/02/854175502.db2.gz VIUGPUFLZQOENF-OAQYLSRUSA-N 2 1 392.632 3.796 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000520405229 854175505 /nfs/dbraw/zinc/17/55/05/854175505.db2.gz VIUGPUFLZQOENF-OAQYLSRUSA-N 2 1 392.632 3.796 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000520405229 854175509 /nfs/dbraw/zinc/17/55/09/854175509.db2.gz VIUGPUFLZQOENF-OAQYLSRUSA-N 2 1 392.632 3.796 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1F ZINC000417265569 854186168 /nfs/dbraw/zinc/18/61/68/854186168.db2.gz CEPCMIANFSCNST-FQEVSTJZSA-N 2 1 395.482 3.599 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000441414339 854193697 /nfs/dbraw/zinc/19/36/97/854193697.db2.gz JSAYUQFNXJFGDO-KXBFYZLASA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000441414339 854193701 /nfs/dbraw/zinc/19/37/01/854193701.db2.gz JSAYUQFNXJFGDO-KXBFYZLASA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000441414339 854193708 /nfs/dbraw/zinc/19/37/08/854193708.db2.gz JSAYUQFNXJFGDO-KXBFYZLASA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000441414339 854193713 /nfs/dbraw/zinc/19/37/13/854193713.db2.gz JSAYUQFNXJFGDO-KXBFYZLASA-N 2 1 391.943 3.626 20 0 GHADMP CC(C)C[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000441405715 854201359 /nfs/dbraw/zinc/20/13/59/854201359.db2.gz PWENRCHXWYEZFA-PUHATCMVSA-N 2 1 383.580 3.839 20 0 GHADMP Cc1cccc(N2C[C@@]3(CC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)CC2=O)c1 ZINC001167991870 854299818 /nfs/dbraw/zinc/29/98/18/854299818.db2.gz FLZVEPNQFBYTNN-PYCXZRKXSA-N 2 1 393.575 3.829 20 0 GHADMP Cc1cccc(N2C[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C3)CC2=O)c1 ZINC001167991870 854299823 /nfs/dbraw/zinc/29/98/23/854299823.db2.gz FLZVEPNQFBYTNN-PYCXZRKXSA-N 2 1 393.575 3.829 20 0 GHADMP Cc1cccc(N2C[C@@]3(CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2=O)c1 ZINC001167991870 854299827 /nfs/dbraw/zinc/29/98/27/854299827.db2.gz FLZVEPNQFBYTNN-PYCXZRKXSA-N 2 1 393.575 3.829 20 0 GHADMP c1cncc(-c2noc(C3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC3)n2)c1 ZINC001167992211 854304710 /nfs/dbraw/zinc/30/47/10/854304710.db2.gz HRLZKVQSOSPSAC-WCRBZPEASA-N 2 1 393.535 3.716 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112736455 854310645 /nfs/dbraw/zinc/31/06/45/854310645.db2.gz FZCUQILCHOVQRV-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000588641287 854322754 /nfs/dbraw/zinc/32/27/54/854322754.db2.gz BKXJXXUBUZUEJO-AZUAARDMSA-N 2 1 377.548 3.664 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000588641289 854323397 /nfs/dbraw/zinc/32/33/97/854323397.db2.gz BKXJXXUBUZUEJO-QUCCMNQESA-N 2 1 377.548 3.664 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754382 854692995 /nfs/dbraw/zinc/69/29/95/854692995.db2.gz XUWRJMOJUPSWFC-UHFFFAOYSA-N 2 1 396.329 3.931 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)CC1 ZINC000069765553 854693422 /nfs/dbraw/zinc/69/34/22/854693422.db2.gz RDNTXFPWYWZIPE-HXUWFJFHSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000069765553 854693430 /nfs/dbraw/zinc/69/34/30/854693430.db2.gz RDNTXFPWYWZIPE-HXUWFJFHSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000069765553 854693435 /nfs/dbraw/zinc/69/34/35/854693435.db2.gz RDNTXFPWYWZIPE-HXUWFJFHSA-N 2 1 386.584 3.544 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(OCc2cccnc2)c1 ZINC000443971662 862618086 /nfs/dbraw/zinc/61/80/86/862618086.db2.gz VCWCXYUZDFGXCQ-QGZVFWFLSA-N 2 1 380.492 3.600 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Br ZINC000262093933 854960148 /nfs/dbraw/zinc/96/01/48/854960148.db2.gz VAINGSGPNQWRBZ-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572858808 855046072 /nfs/dbraw/zinc/04/60/72/855046072.db2.gz XLIHHDCCQTXATG-GMAHTHKFSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572858808 855046077 /nfs/dbraw/zinc/04/60/77/855046077.db2.gz XLIHHDCCQTXATG-GMAHTHKFSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466715 855069584 /nfs/dbraw/zinc/06/95/84/855069584.db2.gz UIMAJIZUXBHDJO-UNMCSNQZSA-N 2 1 388.596 3.840 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466715 855069590 /nfs/dbraw/zinc/06/95/90/855069590.db2.gz UIMAJIZUXBHDJO-UNMCSNQZSA-N 2 1 388.596 3.840 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654581 855070461 /nfs/dbraw/zinc/07/04/61/855070461.db2.gz CWWIJGVJNDIEEB-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654581 855070465 /nfs/dbraw/zinc/07/04/65/855070465.db2.gz CWWIJGVJNDIEEB-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP CC[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999696 855220582 /nfs/dbraw/zinc/22/05/82/855220582.db2.gz TZXZYTDQFIZXOB-HSZRJFAPSA-N 2 1 379.548 3.764 20 0 GHADMP CC[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999696 855220585 /nfs/dbraw/zinc/22/05/85/855220585.db2.gz TZXZYTDQFIZXOB-HSZRJFAPSA-N 2 1 379.548 3.764 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590147024 855297874 /nfs/dbraw/zinc/29/78/74/855297874.db2.gz CUKPFCFJSSBFSZ-UNMCSNQZSA-N 2 1 386.584 3.777 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(C(=O)OC)cc1 ZINC000590242150 855329674 /nfs/dbraw/zinc/32/96/74/855329674.db2.gz ZUYMTLOOTSOHTK-WZONZLPQSA-N 2 1 396.531 3.935 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(C(=O)OC)cc1 ZINC000590242150 855329677 /nfs/dbraw/zinc/32/96/77/855329677.db2.gz ZUYMTLOOTSOHTK-WZONZLPQSA-N 2 1 396.531 3.935 20 0 GHADMP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c2ccccc21 ZINC000639066066 855382870 /nfs/dbraw/zinc/38/28/70/855382870.db2.gz TWHGPYLDQWAJJN-OALUTQOASA-N 2 1 392.547 3.972 20 0 GHADMP CSCC[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536427427 855453199 /nfs/dbraw/zinc/45/31/99/855453199.db2.gz WYPQNFYRRZXKFD-VQIMIIECSA-N 2 1 398.016 3.667 20 0 GHADMP CSCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536427427 855453208 /nfs/dbraw/zinc/45/32/08/855453208.db2.gz WYPQNFYRRZXKFD-VQIMIIECSA-N 2 1 398.016 3.667 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002442 855600948 /nfs/dbraw/zinc/60/09/48/855600948.db2.gz SJAPANVCSRZKPX-SSWODZADSA-N 2 1 382.548 3.847 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002442 855600955 /nfs/dbraw/zinc/60/09/55/855600955.db2.gz SJAPANVCSRZKPX-SSWODZADSA-N 2 1 382.548 3.847 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002442 855600963 /nfs/dbraw/zinc/60/09/63/855600963.db2.gz SJAPANVCSRZKPX-SSWODZADSA-N 2 1 382.548 3.847 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000465709101 855625499 /nfs/dbraw/zinc/62/54/99/855625499.db2.gz NQWGNMCZKMTEJS-GHTZIAJQSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000465709101 855625501 /nfs/dbraw/zinc/62/55/01/855625501.db2.gz NQWGNMCZKMTEJS-GHTZIAJQSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000465709101 855625503 /nfs/dbraw/zinc/62/55/03/855625503.db2.gz NQWGNMCZKMTEJS-GHTZIAJQSA-N 2 1 386.584 3.733 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002780 855640887 /nfs/dbraw/zinc/64/08/87/855640887.db2.gz XYQQRFRKXJXTNH-NJDFBWEVSA-N 2 1 379.548 3.512 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002780 855640892 /nfs/dbraw/zinc/64/08/92/855640892.db2.gz XYQQRFRKXJXTNH-NJDFBWEVSA-N 2 1 379.548 3.512 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002780 855640897 /nfs/dbraw/zinc/64/08/97/855640897.db2.gz XYQQRFRKXJXTNH-NJDFBWEVSA-N 2 1 379.548 3.512 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002780 855640902 /nfs/dbraw/zinc/64/09/02/855640902.db2.gz XYQQRFRKXJXTNH-NJDFBWEVSA-N 2 1 379.548 3.512 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000520613036 855793507 /nfs/dbraw/zinc/79/35/07/855793507.db2.gz NBYFQKFDAZQOQG-QFIPXVFZSA-N 2 1 388.600 3.660 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnn3-c3ccc(F)cc3)CC2)oc1C ZINC000280834072 855880340 /nfs/dbraw/zinc/88/03/40/855880340.db2.gz JZTPKLOYEOFDOE-UHFFFAOYSA-N 2 1 397.498 3.618 20 0 GHADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000482123827 862734950 /nfs/dbraw/zinc/73/49/50/862734950.db2.gz WVOKNAWAIPUQNP-IBGZPJMESA-N 2 1 384.593 3.609 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000482123827 862734959 /nfs/dbraw/zinc/73/49/59/862734959.db2.gz WVOKNAWAIPUQNP-IBGZPJMESA-N 2 1 384.593 3.609 20 0 GHADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000542840847 856108062 /nfs/dbraw/zinc/10/80/62/856108062.db2.gz UEOLKJBMEWWCFH-ZFWWWQNUSA-N 2 1 384.364 3.942 20 0 GHADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000542840847 856108067 /nfs/dbraw/zinc/10/80/67/856108067.db2.gz UEOLKJBMEWWCFH-ZFWWWQNUSA-N 2 1 384.364 3.942 20 0 GHADMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(Oc3ccc(Br)cc3)cc2)CCO1 ZINC001204756311 856138290 /nfs/dbraw/zinc/13/82/90/856138290.db2.gz NGJDJXNMEXEWNV-IBGZPJMESA-N 2 1 391.309 3.791 20 0 GHADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(Br)cc3)cc2)CCO1 ZINC001204756311 856138296 /nfs/dbraw/zinc/13/82/96/856138296.db2.gz NGJDJXNMEXEWNV-IBGZPJMESA-N 2 1 391.309 3.791 20 0 GHADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000674308599 856156500 /nfs/dbraw/zinc/15/65/00/856156500.db2.gz LEJSFCYAIZJQDD-UHFFFAOYSA-N 2 1 377.598 3.633 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000905152532 856172881 /nfs/dbraw/zinc/17/28/81/856172881.db2.gz FILGKKXRGQLFBH-JFTIXFDTSA-N 2 1 382.548 3.504 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000905152532 856172884 /nfs/dbraw/zinc/17/28/84/856172884.db2.gz FILGKKXRGQLFBH-JFTIXFDTSA-N 2 1 382.548 3.504 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1c1cccs1 ZINC000905133596 856180875 /nfs/dbraw/zinc/18/08/75/856180875.db2.gz QMOGHMAFLHJBSW-BNOWGMLFSA-N 2 1 386.430 3.669 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1c1cccs1 ZINC000905133596 856180881 /nfs/dbraw/zinc/18/08/81/856180881.db2.gz QMOGHMAFLHJBSW-BNOWGMLFSA-N 2 1 386.430 3.669 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)[C@@H]1c1cccs1 ZINC000905136572 856181945 /nfs/dbraw/zinc/18/19/45/856181945.db2.gz ZNWUUSMWNLLJIS-KGVIQGDOSA-N 2 1 399.560 3.642 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)[C@@H]1c1cccs1 ZINC000905136572 856181948 /nfs/dbraw/zinc/18/19/48/856181948.db2.gz ZNWUUSMWNLLJIS-KGVIQGDOSA-N 2 1 399.560 3.642 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCC[NH+](C)C2CC2)CC1 ZINC000459172467 856206074 /nfs/dbraw/zinc/20/60/74/856206074.db2.gz YYZYDNIWARYDLP-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459172467 856206109 /nfs/dbraw/zinc/20/61/09/856206109.db2.gz YYZYDNIWARYDLP-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459172467 856206119 /nfs/dbraw/zinc/20/61/19/856206119.db2.gz YYZYDNIWARYDLP-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669417171 856221465 /nfs/dbraw/zinc/22/14/65/856221465.db2.gz DQSLNSASYRFCHS-FJIDUMEYSA-N 2 1 375.607 3.880 20 0 GHADMP C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000729525011 856234371 /nfs/dbraw/zinc/23/43/71/856234371.db2.gz COMUKSZKYUVEDB-VQTJNVASSA-N 2 1 387.568 3.544 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[NH+](C)C ZINC000032695265 856250584 /nfs/dbraw/zinc/25/05/84/856250584.db2.gz SBQYGQHWMDYCEU-QFIPXVFZSA-N 2 1 395.547 3.714 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4cccc(C)c4CC3(C)C)CC2)CC1 ZINC000573506737 856266122 /nfs/dbraw/zinc/26/61/22/856266122.db2.gz VFLBSEOTAZNFLU-UHFFFAOYSA-N 2 1 397.607 3.855 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000485397795 856441452 /nfs/dbraw/zinc/44/14/52/856441452.db2.gz CMLFYVWSTGWRTG-VQTJNVASSA-N 2 1 388.600 3.879 20 0 GHADMP COc1ccc(OCc2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000573722774 856453926 /nfs/dbraw/zinc/45/39/26/856453926.db2.gz GGOMFHFGJMLUQK-KRWDZBQOSA-N 2 1 387.549 3.552 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000172525451 856466738 /nfs/dbraw/zinc/46/67/38/856466738.db2.gz MTRZSPKLBVKUSE-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465360 856608857 /nfs/dbraw/zinc/60/88/57/856608857.db2.gz JWJXPZSUYDSZKI-QHCPKHFHSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000674040498 862825205 /nfs/dbraw/zinc/82/52/05/862825205.db2.gz CAQRZZJUPWHXFY-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000674694409 856711265 /nfs/dbraw/zinc/71/12/65/856711265.db2.gz UBBOMFRTQSWDHB-IFMALSPDSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000465886696 856768077 /nfs/dbraw/zinc/76/80/77/856768077.db2.gz GCVFSWSSUXXQQK-VXKWHMMOSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000508077886 856897420 /nfs/dbraw/zinc/89/74/20/856897420.db2.gz GMKCJCPWJMEVBO-HSZRJFAPSA-N 2 1 379.548 3.842 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000508164955 857017553 /nfs/dbraw/zinc/01/75/53/857017553.db2.gz RDJVJLLMDBLFPM-NRFANRHFSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000508164955 857017565 /nfs/dbraw/zinc/01/75/65/857017565.db2.gz RDJVJLLMDBLFPM-NRFANRHFSA-N 2 1 375.532 3.563 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592792040 857070750 /nfs/dbraw/zinc/07/07/50/857070750.db2.gz AQNJAPYEIVUEGP-HXUWFJFHSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCCCn2ccnc2)C1 ZINC000057376090 857194996 /nfs/dbraw/zinc/19/49/96/857194996.db2.gz HIXYHWSYNYHUQM-BGYRXZFFSA-N 2 1 397.567 3.641 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000429248247 857218538 /nfs/dbraw/zinc/21/85/38/857218538.db2.gz YQQZWKGDEOEYDG-KRWDZBQOSA-N 2 1 386.565 3.685 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000429248247 857218549 /nfs/dbraw/zinc/21/85/49/857218549.db2.gz YQQZWKGDEOEYDG-KRWDZBQOSA-N 2 1 386.565 3.685 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000064736079 857225162 /nfs/dbraw/zinc/22/51/62/857225162.db2.gz PZVSFMBSBOZMLA-PABCKOPISA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000064736079 857225170 /nfs/dbraw/zinc/22/51/70/857225170.db2.gz PZVSFMBSBOZMLA-PABCKOPISA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000064736079 857225177 /nfs/dbraw/zinc/22/51/77/857225177.db2.gz PZVSFMBSBOZMLA-PABCKOPISA-N 2 1 383.580 3.762 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c2ccccc2)CC1 ZINC000057792136 857234965 /nfs/dbraw/zinc/23/49/65/857234965.db2.gz WMYRESLCYQCXAA-SFTDATJTSA-N 2 1 398.551 3.655 20 0 GHADMP COc1ccc2c(c1)C[NH+](C/C=C/C[N@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000065164721 857461397 /nfs/dbraw/zinc/46/13/97/857461397.db2.gz STNCZDSVLYSCRR-ONEGZZNKSA-N 2 1 378.516 3.676 20 0 GHADMP COc1ccc2c(c1)C[NH+](C/C=C/C[N@@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000065164721 857461402 /nfs/dbraw/zinc/46/14/02/857461402.db2.gz STNCZDSVLYSCRR-ONEGZZNKSA-N 2 1 378.516 3.676 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000061071339 857497427 /nfs/dbraw/zinc/49/74/27/857497427.db2.gz WFJYIENCOXIHOL-WIYYLYMNSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000061071339 857497440 /nfs/dbraw/zinc/49/74/40/857497440.db2.gz WFJYIENCOXIHOL-WIYYLYMNSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000521069084 857559440 /nfs/dbraw/zinc/55/94/40/857559440.db2.gz ZXQDPVBGZZSEMW-ZWKOTPCHSA-N 2 1 394.991 3.534 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1 ZINC000486248535 857593704 /nfs/dbraw/zinc/59/37/04/857593704.db2.gz FCHUDBMFQMYEDJ-FQEVSTJZSA-N 2 1 383.540 3.859 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000486248535 857593715 /nfs/dbraw/zinc/59/37/15/857593715.db2.gz FCHUDBMFQMYEDJ-FQEVSTJZSA-N 2 1 383.540 3.859 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000675880210 857658546 /nfs/dbraw/zinc/65/85/46/857658546.db2.gz CAXFDUCEIISRJJ-BEFAXECRSA-N 2 1 386.458 3.922 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000675882876 857660047 /nfs/dbraw/zinc/66/00/47/857660047.db2.gz UKYYSWXGLZUHMW-RHSMWYFYSA-N 2 1 397.357 3.752 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)cc1 ZINC000046404241 857682192 /nfs/dbraw/zinc/68/21/92/857682192.db2.gz NHUDMHPZPQKMSJ-UHFFFAOYSA-N 2 1 394.563 3.923 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486390774 857701549 /nfs/dbraw/zinc/70/15/49/857701549.db2.gz WFFQHYJGXFRUHI-OFNKIYASSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486390774 857701683 /nfs/dbraw/zinc/70/16/83/857701683.db2.gz WFFQHYJGXFRUHI-OFNKIYASSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486390774 857701688 /nfs/dbraw/zinc/70/16/88/857701688.db2.gz WFFQHYJGXFRUHI-OFNKIYASSA-N 2 1 381.564 3.627 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000676001615 857705046 /nfs/dbraw/zinc/70/50/46/857705046.db2.gz MXVULGSRIXZUBE-DNVJHFABSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168013675 857705240 /nfs/dbraw/zinc/70/52/40/857705240.db2.gz IMYBYJZTGDZFPK-FTEYMNFISA-N 2 1 375.557 3.931 20 0 GHADMP CCc1ccc([C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000665281364 857798457 /nfs/dbraw/zinc/79/84/57/857798457.db2.gz ABZPJHLXCILKAD-YADHBBJMSA-N 2 1 388.577 3.705 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C1CC[NH+](C)CC1 ZINC000668631179 857823920 /nfs/dbraw/zinc/82/39/20/857823920.db2.gz OHVONJSEXIRAED-URXFXBBRSA-N 2 1 385.596 3.998 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)c1 ZINC000065881096 857871204 /nfs/dbraw/zinc/87/12/04/857871204.db2.gz UFFWHLYHBLZQCV-JOCHJYFZSA-N 2 1 397.538 3.806 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000065881096 857871214 /nfs/dbraw/zinc/87/12/14/857871214.db2.gz UFFWHLYHBLZQCV-JOCHJYFZSA-N 2 1 397.538 3.806 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000065881096 857871225 /nfs/dbraw/zinc/87/12/25/857871225.db2.gz UFFWHLYHBLZQCV-JOCHJYFZSA-N 2 1 397.538 3.806 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000574582322 858071036 /nfs/dbraw/zinc/07/10/36/858071036.db2.gz WSKWCLGHVYXKMX-NZQKXSOJSA-N 2 1 395.478 3.533 20 0 GHADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442783407 858122964 /nfs/dbraw/zinc/12/29/64/858122964.db2.gz MWTWABMPGISQLH-DHXZDTOLSA-N 2 1 385.474 3.578 20 0 GHADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442783408 858123109 /nfs/dbraw/zinc/12/31/09/858123109.db2.gz MWTWABMPGISQLH-IKICRFKJSA-N 2 1 385.474 3.578 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000521602264 858148167 /nfs/dbraw/zinc/14/81/67/858148167.db2.gz XEXSLBRAFBPVJT-ZVDOUQERSA-N 2 1 389.559 3.522 20 0 GHADMP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508403443 858150148 /nfs/dbraw/zinc/15/01/48/858150148.db2.gz WLLRRMZFQJARCF-FCGDIQPGSA-N 2 1 377.598 3.899 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442928148 858235000 /nfs/dbraw/zinc/23/50/00/858235000.db2.gz PKFAWJATJXOMCI-OAHLLOKOSA-N 2 1 377.330 3.504 20 0 GHADMP C[C@H]1CCCN(Cc2csc(NC(=O)N3CCC[N@H+](C(C)(C)C)CC3)n2)C1 ZINC000521823501 858356438 /nfs/dbraw/zinc/35/64/38/858356438.db2.gz YOEZOBWNNGAVGX-INIZCTEOSA-N 2 1 393.601 3.713 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000543139424 858578545 /nfs/dbraw/zinc/57/85/45/858578545.db2.gz CCEPAQGZOIBEQH-IBGZPJMESA-N 2 1 399.501 3.546 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000522096608 858617014 /nfs/dbraw/zinc/61/70/14/858617014.db2.gz LLJSYPVXEWGLHB-XMMPIXPASA-N 2 1 391.559 3.908 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000595900877 858712204 /nfs/dbraw/zinc/71/22/04/858712204.db2.gz OKUDMKXLYDZRAP-LJQANCHMSA-N 2 1 399.560 3.808 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000474060919 858740502 /nfs/dbraw/zinc/74/05/02/858740502.db2.gz SHFJCLFYKRIGSU-RBZQAINGSA-N 2 1 385.596 3.509 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474064089 858749057 /nfs/dbraw/zinc/74/90/57/858749057.db2.gz XZPGCLIRXRKNNX-KMDXXIMOSA-N 2 1 385.596 3.509 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532206389 881348479 /nfs/dbraw/zinc/34/84/79/881348479.db2.gz OMNHVQYZUGRPEQ-ZWKOTPCHSA-N 2 1 393.531 3.643 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532206389 881348507 /nfs/dbraw/zinc/34/85/07/881348507.db2.gz OMNHVQYZUGRPEQ-ZWKOTPCHSA-N 2 1 393.531 3.643 20 0 GHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000479062352 858826056 /nfs/dbraw/zinc/82/60/56/858826056.db2.gz PEAWARHCAUATAU-UGKGYDQZSA-N 2 1 380.532 3.845 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532206386 881350537 /nfs/dbraw/zinc/35/05/37/881350537.db2.gz OMNHVQYZUGRPEQ-QZTJIDSGSA-N 2 1 393.531 3.643 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532206386 881350581 /nfs/dbraw/zinc/35/05/81/881350581.db2.gz OMNHVQYZUGRPEQ-QZTJIDSGSA-N 2 1 393.531 3.643 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c(C)c1 ZINC000856549726 881366517 /nfs/dbraw/zinc/36/65/17/881366517.db2.gz TVOCJCRYJFHEBY-QHCPKHFHSA-N 2 1 383.536 3.894 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c(C)c1 ZINC000856549726 881366534 /nfs/dbraw/zinc/36/65/34/881366534.db2.gz TVOCJCRYJFHEBY-QHCPKHFHSA-N 2 1 383.536 3.894 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c(C)c1 ZINC000856549726 881366553 /nfs/dbraw/zinc/36/65/53/881366553.db2.gz TVOCJCRYJFHEBY-QHCPKHFHSA-N 2 1 383.536 3.894 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)c1 ZINC000466284218 858980337 /nfs/dbraw/zinc/98/03/37/858980337.db2.gz ZHUBCNCGBDIDJS-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466284218 858980343 /nfs/dbraw/zinc/98/03/43/858980343.db2.gz ZHUBCNCGBDIDJS-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466284218 858980353 /nfs/dbraw/zinc/98/03/53/858980353.db2.gz ZHUBCNCGBDIDJS-XXBNENTESA-N 2 1 394.563 3.601 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000429688631 859008938 /nfs/dbraw/zinc/00/89/38/859008938.db2.gz CPOXMLXUOVEZII-LOSJGSFVSA-N 2 1 399.623 3.866 20 0 GHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C)(C[NH+]4CCN(C)CC4)CC3)cs2)cc1 ZINC000543617656 859036078 /nfs/dbraw/zinc/03/60/78/859036078.db2.gz CRVGNPCZRSNKHB-UHFFFAOYSA-N 2 1 398.620 3.968 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000185163530 859050158 /nfs/dbraw/zinc/05/01/58/859050158.db2.gz AHYOCXIDFNKPBI-OAHLLOKOSA-N 2 1 389.341 3.526 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1)C1CCCCC1 ZINC000532193687 881376384 /nfs/dbraw/zinc/37/63/84/881376384.db2.gz OEYFSZJXJSZFPZ-UHFFFAOYSA-N 2 1 393.579 4.000 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000237530664 859092358 /nfs/dbraw/zinc/09/23/58/859092358.db2.gz PAFIIFPITWNCGT-LLVKDONJSA-N 2 1 388.256 3.981 20 0 GHADMP CCCOc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856553222 881383473 /nfs/dbraw/zinc/38/34/73/881383473.db2.gz KHOGSJZOEMAHLZ-QHCPKHFHSA-N 2 1 383.536 3.975 20 0 GHADMP CCCOc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c1 ZINC000856553222 881383489 /nfs/dbraw/zinc/38/34/89/881383489.db2.gz KHOGSJZOEMAHLZ-QHCPKHFHSA-N 2 1 383.536 3.975 20 0 GHADMP CCCOc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c1 ZINC000856553222 881383504 /nfs/dbraw/zinc/38/35/04/881383504.db2.gz KHOGSJZOEMAHLZ-QHCPKHFHSA-N 2 1 383.536 3.975 20 0 GHADMP CC(C)[C@H](CNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185699520 859117538 /nfs/dbraw/zinc/11/75/38/859117538.db2.gz QUKKDCWENVTBLI-LSWJPFSZSA-N 2 1 385.596 3.785 20 0 GHADMP CC(C)[C@H](CNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185699520 859117553 /nfs/dbraw/zinc/11/75/53/859117553.db2.gz QUKKDCWENVTBLI-LSWJPFSZSA-N 2 1 385.596 3.785 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193584696 859174853 /nfs/dbraw/zinc/17/48/53/859174853.db2.gz ZPCOXOBSMFXOBC-FQEVSTJZSA-N 2 1 383.561 3.797 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000483155398 859186430 /nfs/dbraw/zinc/18/64/30/859186430.db2.gz LTOYGSGKVWJQQA-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000483155398 859186435 /nfs/dbraw/zinc/18/64/35/859186435.db2.gz LTOYGSGKVWJQQA-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000483155398 859186439 /nfs/dbraw/zinc/18/64/39/859186439.db2.gz LTOYGSGKVWJQQA-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP CCC(CC)(CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000113595133 859239201 /nfs/dbraw/zinc/23/92/01/859239201.db2.gz OYYPWANMAZCAGI-RBUKOAKNSA-N 2 1 386.584 3.680 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)cc1 ZINC000532200750 881398596 /nfs/dbraw/zinc/39/85/96/881398596.db2.gz AVDQTLYPQZKLCT-FQEVSTJZSA-N 2 1 389.547 3.654 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1OC ZINC000856554728 881399573 /nfs/dbraw/zinc/39/95/73/881399573.db2.gz MVYLTENHXSKYSZ-NRFANRHFSA-N 2 1 399.535 3.594 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1OC ZINC000856554728 881399588 /nfs/dbraw/zinc/39/95/88/881399588.db2.gz MVYLTENHXSKYSZ-NRFANRHFSA-N 2 1 399.535 3.594 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1OC ZINC000856554728 881399601 /nfs/dbraw/zinc/39/96/01/881399601.db2.gz MVYLTENHXSKYSZ-NRFANRHFSA-N 2 1 399.535 3.594 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000597051828 859265126 /nfs/dbraw/zinc/26/51/26/859265126.db2.gz MOHWQQPIQMRSOL-MRXNPFEDSA-N 2 1 376.497 3.676 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000597051828 859265135 /nfs/dbraw/zinc/26/51/35/859265135.db2.gz MOHWQQPIQMRSOL-MRXNPFEDSA-N 2 1 376.497 3.676 20 0 GHADMP COC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)c1ccccc1 ZINC001168026887 859365736 /nfs/dbraw/zinc/36/57/36/859365736.db2.gz LXCILZZKPCPPDE-PPAVOTHMSA-N 2 1 382.548 3.766 20 0 GHADMP COC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)c1ccccc1 ZINC001168026887 859365741 /nfs/dbraw/zinc/36/57/41/859365741.db2.gz LXCILZZKPCPPDE-PPAVOTHMSA-N 2 1 382.548 3.766 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC001143140956 859375132 /nfs/dbraw/zinc/37/51/32/859375132.db2.gz YCEFLHIGVFNIQX-PCCBWWKXSA-N 2 1 385.596 3.850 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482347 859404470 /nfs/dbraw/zinc/40/44/70/859404470.db2.gz AWFOHGYKNUEXRQ-KNQAVFIVSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429456824 859407369 /nfs/dbraw/zinc/40/73/69/859407369.db2.gz RHZTZVZCROFNND-JMBSJVKXSA-N 2 1 382.523 3.792 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@H]1C ZINC000483522529 859433650 /nfs/dbraw/zinc/43/36/50/859433650.db2.gz ZIBRLDLROVRNEF-UXHICEINSA-N 2 1 378.605 3.689 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000895479371 859565334 /nfs/dbraw/zinc/56/53/34/859565334.db2.gz PFXYLJWKYIIALB-WNRNVDISSA-N 2 1 390.490 3.608 20 0 GHADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856561058 881442649 /nfs/dbraw/zinc/44/26/49/881442649.db2.gz LVKYANAXRMMCJM-JOCHJYFZSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856561058 881442691 /nfs/dbraw/zinc/44/26/91/881442691.db2.gz LVKYANAXRMMCJM-JOCHJYFZSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856561058 881442737 /nfs/dbraw/zinc/44/27/37/881442737.db2.gz LVKYANAXRMMCJM-JOCHJYFZSA-N 2 1 399.535 3.592 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@H]1C ZINC000483805009 859634620 /nfs/dbraw/zinc/63/46/20/859634620.db2.gz KZOWSXXZIGYZMU-LXZJYRNTSA-N 2 1 392.613 3.645 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@H]1C ZINC000483805009 859634623 /nfs/dbraw/zinc/63/46/23/859634623.db2.gz KZOWSXXZIGYZMU-LXZJYRNTSA-N 2 1 392.613 3.645 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@H]1C ZINC000483805009 859634629 /nfs/dbraw/zinc/63/46/29/859634629.db2.gz KZOWSXXZIGYZMU-LXZJYRNTSA-N 2 1 392.613 3.645 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499804610 859855067 /nfs/dbraw/zinc/85/50/67/859855067.db2.gz ZVSJOLKROAHQIQ-UXHICEINSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1ccc(-c2nc(C[NH2+][C@@H]3C[C@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)cs2)cc1 ZINC000922387441 859866821 /nfs/dbraw/zinc/86/68/21/859866821.db2.gz KZUGLHZPVPHOAQ-NXLVEIQXSA-N 2 1 385.577 3.688 20 0 GHADMP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(F)cc1 ZINC000512659519 859869797 /nfs/dbraw/zinc/86/97/97/859869797.db2.gz HRRKZHIGJAIZFL-VLCRHTCISA-N 2 1 381.495 3.655 20 0 GHADMP O=C(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1ccc(F)cc1 ZINC000512659519 859869806 /nfs/dbraw/zinc/86/98/06/859869806.db2.gz HRRKZHIGJAIZFL-VLCRHTCISA-N 2 1 381.495 3.655 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389805 859881576 /nfs/dbraw/zinc/88/15/76/859881576.db2.gz KKIKUILBBYEKOO-WKDRNLAYSA-N 2 1 385.577 3.688 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000922387272 859883581 /nfs/dbraw/zinc/88/35/81/859883581.db2.gz LNSCGHUNCACXBT-IIHSZXCVSA-N 2 1 388.886 3.511 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000765523705 860068909 /nfs/dbraw/zinc/06/89/09/860068909.db2.gz AWPXYCCURHADBY-PWHSHALESA-N 2 1 384.568 3.968 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000765523705 860068926 /nfs/dbraw/zinc/06/89/26/860068926.db2.gz AWPXYCCURHADBY-PWHSHALESA-N 2 1 384.568 3.968 20 0 GHADMP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000499192841 881500859 /nfs/dbraw/zinc/50/08/59/881500859.db2.gz QNNFAXVXOCVQAH-KJJMTIBFSA-N 2 1 378.516 3.784 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060827185 860171521 /nfs/dbraw/zinc/17/15/21/860171521.db2.gz HTPQVYPNJIBPKQ-NRFANRHFSA-N 2 1 388.625 3.511 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000536057283 860269437 /nfs/dbraw/zinc/26/94/37/860269437.db2.gz JIXIRWLUEFWDEU-QFIPXVFZSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000536057283 860269446 /nfs/dbraw/zinc/26/94/46/860269446.db2.gz JIXIRWLUEFWDEU-QFIPXVFZSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474542216 860326881 /nfs/dbraw/zinc/32/68/81/860326881.db2.gz AVPRQHYFDXQKCH-RXVVDRJESA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474542216 860326888 /nfs/dbraw/zinc/32/68/88/860326888.db2.gz AVPRQHYFDXQKCH-RXVVDRJESA-N 2 1 377.548 3.807 20 0 GHADMP CC(=O)c1ccc2c(c1)CCN(CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000508969303 860329369 /nfs/dbraw/zinc/32/93/69/860329369.db2.gz VUYKEMWSTMUWCE-UHFFFAOYSA-N 2 1 391.559 3.502 20 0 GHADMP COC(=O)c1coc([C@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000602866047 860339803 /nfs/dbraw/zinc/33/98/03/860339803.db2.gz XZVOULAAJRCIAE-SFHVURJKSA-N 2 1 397.519 3.900 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000765663321 860391138 /nfs/dbraw/zinc/39/11/38/860391138.db2.gz OFAAWOYCEFAVKF-IBGZPJMESA-N 2 1 388.556 3.546 20 0 GHADMP [NH3+]CCc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC000904494855 860460616 /nfs/dbraw/zinc/46/06/16/860460616.db2.gz RBFPFJPMUPQRDY-RBUKOAKNSA-N 2 1 382.895 3.607 20 0 GHADMP Oc1ccc(Br)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000904474934 860466896 /nfs/dbraw/zinc/46/68/96/860466896.db2.gz MTYOBFJMVZCRMX-IEBWSBKVSA-N 2 1 389.293 3.500 20 0 GHADMP COc1nc2ccccc2cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904475357 860467428 /nfs/dbraw/zinc/46/74/28/860467428.db2.gz OBSDTRAXPVBUSV-REWPJTCUSA-N 2 1 375.472 3.589 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000765749393 860566213 /nfs/dbraw/zinc/56/62/13/860566213.db2.gz MKGJEUXRMPKBFW-UYAOXDASSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000765749393 860566221 /nfs/dbraw/zinc/56/62/21/860566221.db2.gz MKGJEUXRMPKBFW-UYAOXDASSA-N 2 1 375.557 3.744 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000509029880 860623745 /nfs/dbraw/zinc/62/37/45/860623745.db2.gz GEQYHDCWQBJJRM-LSTHTHJFSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000509029880 860623748 /nfs/dbraw/zinc/62/37/48/860623748.db2.gz GEQYHDCWQBJJRM-LSTHTHJFSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000509029880 860623749 /nfs/dbraw/zinc/62/37/49/860623749.db2.gz GEQYHDCWQBJJRM-LSTHTHJFSA-N 2 1 394.991 3.705 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856590018 881561041 /nfs/dbraw/zinc/56/10/41/881561041.db2.gz QLGHRTMKTBFJPO-IBGZPJMESA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856590018 881561060 /nfs/dbraw/zinc/56/10/60/881561060.db2.gz QLGHRTMKTBFJPO-IBGZPJMESA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856590018 881561071 /nfs/dbraw/zinc/56/10/71/881561071.db2.gz QLGHRTMKTBFJPO-IBGZPJMESA-N 2 1 375.463 3.507 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856603177 881577550 /nfs/dbraw/zinc/57/75/50/881577550.db2.gz CNUHUOYSGCXNSW-QHCPKHFHSA-N 2 1 397.519 3.500 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856603177 881577555 /nfs/dbraw/zinc/57/75/55/881577555.db2.gz CNUHUOYSGCXNSW-QHCPKHFHSA-N 2 1 397.519 3.500 20 0 GHADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856603177 881577567 /nfs/dbraw/zinc/57/75/67/881577567.db2.gz CNUHUOYSGCXNSW-QHCPKHFHSA-N 2 1 397.519 3.500 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CC[NH+](C)Cc3ccccc3)C2)ccn1 ZINC000856603742 881578168 /nfs/dbraw/zinc/57/81/68/881578168.db2.gz FAUBZWLHVJTNGD-XMMPIXPASA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CCN(CC[N@H+](C)Cc3ccccc3)C2)ccn1 ZINC000856603742 881578182 /nfs/dbraw/zinc/57/81/82/881578182.db2.gz FAUBZWLHVJTNGD-XMMPIXPASA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CCN(CC[N@@H+](C)Cc3ccccc3)C2)ccn1 ZINC000856603742 881578186 /nfs/dbraw/zinc/57/81/86/881578186.db2.gz FAUBZWLHVJTNGD-XMMPIXPASA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCN(C)Cc3ccccc3)C2)ccn1 ZINC000856603742 881578196 /nfs/dbraw/zinc/57/81/96/881578196.db2.gz FAUBZWLHVJTNGD-XMMPIXPASA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCN(C)Cc3ccccc3)C2)ccn1 ZINC000856603742 881578203 /nfs/dbraw/zinc/57/82/03/881578203.db2.gz FAUBZWLHVJTNGD-XMMPIXPASA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCN(C)Cc3ccccc3)C2)ccn1 ZINC000856603742 881578222 /nfs/dbraw/zinc/57/82/22/881578222.db2.gz FAUBZWLHVJTNGD-XMMPIXPASA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCN(C)Cc3ccccc3)C2)ccn1 ZINC000856603742 881578231 /nfs/dbraw/zinc/57/82/31/881578231.db2.gz FAUBZWLHVJTNGD-XMMPIXPASA-N 2 1 396.579 3.507 20 0 GHADMP c1nc2ccccc2n1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603516835 860785693 /nfs/dbraw/zinc/78/56/93/860785693.db2.gz DOFREKCDPWIIDG-JOCHJYFZSA-N 2 1 390.531 3.759 20 0 GHADMP CO[C@H](C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607163 881584910 /nfs/dbraw/zinc/58/49/10/881584910.db2.gz XGEOEJHPHOQRMP-FCHUYYIVSA-N 2 1 375.557 3.580 20 0 GHADMP CO[C@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607163 881584924 /nfs/dbraw/zinc/58/49/24/881584924.db2.gz XGEOEJHPHOQRMP-FCHUYYIVSA-N 2 1 375.557 3.580 20 0 GHADMP CO[C@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)C1CCCC1 ZINC000856607163 881584940 /nfs/dbraw/zinc/58/49/40/881584940.db2.gz XGEOEJHPHOQRMP-FCHUYYIVSA-N 2 1 375.557 3.580 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000623342771 860890955 /nfs/dbraw/zinc/89/09/55/860890955.db2.gz NKDJICCFNTYCSX-OALUTQOASA-N 2 1 392.613 3.552 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623374928 860962552 /nfs/dbraw/zinc/96/25/52/860962552.db2.gz WCKCOSOFQFJWIL-WBVHZDCISA-N 2 1 380.374 3.738 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC1(C)C ZINC000623394032 860991622 /nfs/dbraw/zinc/99/16/22/860991622.db2.gz XBDMHUPGNYFHMQ-HXUWFJFHSA-N 2 1 382.552 3.768 20 0 GHADMP CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000179176018 861106225 /nfs/dbraw/zinc/10/62/25/861106225.db2.gz VDOMJSIYMSFEHW-SFHVURJKSA-N 2 1 385.577 3.739 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000733644067 863093815 /nfs/dbraw/zinc/09/38/15/863093815.db2.gz FZUGRKDDXITWPZ-OAQYLSRUSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445695 863132340 /nfs/dbraw/zinc/13/23/40/863132340.db2.gz BHDUFGPLMIEHSW-GMAHTHKFSA-N 2 1 393.575 3.738 20 0 GHADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182249149 863163746 /nfs/dbraw/zinc/16/37/46/863163746.db2.gz XXYPXLYFPMQMKO-ZJSXRUAMSA-N 2 1 380.532 3.819 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499233313 881639493 /nfs/dbraw/zinc/63/94/93/881639493.db2.gz JRQMXXDGWIGOHG-JLMDMGSGSA-N 2 1 383.580 3.855 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2F)s1 ZINC000482554617 863320776 /nfs/dbraw/zinc/32/07/76/863320776.db2.gz PHEXCTBBZTWLHX-CVEARBPZSA-N 2 1 389.540 3.792 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482565541 863323757 /nfs/dbraw/zinc/32/37/57/863323757.db2.gz NQAIOUILGMGRPH-BWKNWUBXSA-N 3 1 395.591 3.670 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482565541 863323765 /nfs/dbraw/zinc/32/37/65/863323765.db2.gz NQAIOUILGMGRPH-BWKNWUBXSA-N 3 1 395.591 3.670 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000605988016 863328484 /nfs/dbraw/zinc/32/84/84/863328484.db2.gz IOQLEQICLXILQF-OAQYLSRUSA-N 2 1 378.605 3.549 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000182737886 863341737 /nfs/dbraw/zinc/34/17/37/863341737.db2.gz LTWRUKUQIZQAFF-GOSISDBHSA-N 2 1 377.577 3.625 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003507 881658537 /nfs/dbraw/zinc/65/85/37/881658537.db2.gz IINSOLASMJCZAX-QZTJIDSGSA-N 2 1 382.552 3.827 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003507 881658544 /nfs/dbraw/zinc/65/85/44/881658544.db2.gz IINSOLASMJCZAX-QZTJIDSGSA-N 2 1 382.552 3.827 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000074319839 881676608 /nfs/dbraw/zinc/67/66/08/881676608.db2.gz PDVQWHPEHFWNPN-UHFFFAOYSA-N 2 1 384.568 3.943 20 0 GHADMP CCCOc1c(Cl)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000537629837 881690594 /nfs/dbraw/zinc/69/05/94/881690594.db2.gz HOVILHULWLFBFZ-UHFFFAOYSA-N 2 1 384.948 3.680 20 0 GHADMP O[C@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606902933 863926516 /nfs/dbraw/zinc/92/65/16/863926516.db2.gz GVIVURWYTMCDCD-PMACEKPBSA-N 2 1 377.532 3.573 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000480082711 864030000 /nfs/dbraw/zinc/03/00/00/864030000.db2.gz ISADRDQGZDHIGH-FCHUYYIVSA-N 2 1 379.633 3.902 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480082637 864030102 /nfs/dbraw/zinc/03/01/02/864030102.db2.gz OKEQFUQJPNBUKU-PZJWPPBQSA-N 2 1 379.504 3.749 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480082637 864030118 /nfs/dbraw/zinc/03/01/18/864030118.db2.gz OKEQFUQJPNBUKU-PZJWPPBQSA-N 2 1 379.504 3.749 20 0 GHADMP COc1cc[nH+]c(N2CCN(C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001168056087 864107533 /nfs/dbraw/zinc/10/75/33/864107533.db2.gz CHASTRZWUFNYLQ-WOJBJXKFSA-N 2 1 394.563 3.654 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000475147712 864298766 /nfs/dbraw/zinc/29/87/66/864298766.db2.gz HHSZETWWDAMSGW-XMMPIXPASA-N 2 1 398.595 3.557 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056971 864362562 /nfs/dbraw/zinc/36/25/62/864362562.db2.gz KXVRKZXRVVFPAV-NPDDRXJXSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056971 864362574 /nfs/dbraw/zinc/36/25/74/864362574.db2.gz KXVRKZXRVVFPAV-NPDDRXJXSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056971 864362590 /nfs/dbraw/zinc/36/25/90/864362590.db2.gz KXVRKZXRVVFPAV-NPDDRXJXSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056971 864362597 /nfs/dbraw/zinc/36/25/97/864362597.db2.gz KXVRKZXRVVFPAV-NPDDRXJXSA-N 2 1 395.547 3.985 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccccc1)c1ccccc1 ZINC000475156731 864364669 /nfs/dbraw/zinc/36/46/69/864364669.db2.gz MNIOZQUHZKTYMX-RBUKOAKNSA-N 2 1 393.453 3.689 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001168057304 864388110 /nfs/dbraw/zinc/38/81/10/864388110.db2.gz LQJINPGCNVALCO-WOIUINJBSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cc(CCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000621742910 864396773 /nfs/dbraw/zinc/39/67/73/864396773.db2.gz AJGYXLZKRGBVAT-RXVVDRJESA-N 2 1 398.547 3.842 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001142586755 864412265 /nfs/dbraw/zinc/41/22/65/864412265.db2.gz KRXKWPZYRZPACR-QHCPKHFHSA-N 2 1 379.548 3.630 20 0 GHADMP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001142586755 864412271 /nfs/dbraw/zinc/41/22/71/864412271.db2.gz KRXKWPZYRZPACR-QHCPKHFHSA-N 2 1 379.548 3.630 20 0 GHADMP CC(C)[NH+](C)CC(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001142586755 864412274 /nfs/dbraw/zinc/41/22/74/864412274.db2.gz KRXKWPZYRZPACR-QHCPKHFHSA-N 2 1 379.548 3.630 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]1Oc1ccccc1 ZINC000480327245 864504164 /nfs/dbraw/zinc/50/41/64/864504164.db2.gz LMGVCVKKFSNDFV-WXFUMESZSA-N 2 1 380.532 3.866 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000165640096 864686587 /nfs/dbraw/zinc/68/65/87/864686587.db2.gz HAQLIBIOOJKFKX-NRFANRHFSA-N 2 1 387.568 3.603 20 0 GHADMP CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475313562 864768256 /nfs/dbraw/zinc/76/82/56/864768256.db2.gz DXRZOPIPPKCLFD-DEOSSOPVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000167306357 864776462 /nfs/dbraw/zinc/77/64/62/864776462.db2.gz BBUMKBCSDDDFNK-HSZRJFAPSA-N 2 1 379.548 3.837 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC000622179764 864821186 /nfs/dbraw/zinc/82/11/86/864821186.db2.gz MLWLVETZSISAHO-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000622179764 864821202 /nfs/dbraw/zinc/82/12/02/864821202.db2.gz MLWLVETZSISAHO-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000622179764 864821218 /nfs/dbraw/zinc/82/12/18/864821218.db2.gz MLWLVETZSISAHO-FGZHOGPDSA-N 2 1 383.580 3.669 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532334323 881814536 /nfs/dbraw/zinc/81/45/36/881814536.db2.gz MFWNPAUJWJYYLA-JVPBZIDWSA-N 2 1 397.485 3.687 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000532334323 881814561 /nfs/dbraw/zinc/81/45/61/881814561.db2.gz MFWNPAUJWJYYLA-JVPBZIDWSA-N 2 1 397.485 3.687 20 0 GHADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC000622325336 864926148 /nfs/dbraw/zinc/92/61/48/864926148.db2.gz WJKLCMZFLYTWEB-MRXNPFEDSA-N 2 1 386.927 3.694 20 0 GHADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480604705 864960762 /nfs/dbraw/zinc/96/07/62/864960762.db2.gz VBGKGYJWWKFTDU-XMMPIXPASA-N 2 1 393.575 3.821 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2)CC1 ZINC000182676361 864972112 /nfs/dbraw/zinc/97/21/12/864972112.db2.gz GEARCCSDPAXHMG-PKTZIBPZSA-N 2 1 398.595 3.544 20 0 GHADMP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000554820820 864976189 /nfs/dbraw/zinc/97/61/89/864976189.db2.gz ZJLWNWIPGKWFGP-YADHBBJMSA-N 2 1 383.580 3.737 20 0 GHADMP CCc1ccc(-c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)o2)cc1 ZINC000608117200 864996577 /nfs/dbraw/zinc/99/65/77/864996577.db2.gz SKHPIUNMAADCRT-UHFFFAOYSA-N 2 1 390.487 3.908 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)COc3ccccc3C)C2)s1 ZINC000554851191 865043052 /nfs/dbraw/zinc/04/30/52/865043052.db2.gz AOQQXDGSIHQUDN-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3ccccc3C)C2)s1 ZINC000554851191 865043058 /nfs/dbraw/zinc/04/30/58/865043058.db2.gz AOQQXDGSIHQUDN-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3ccccc3C)C2)s1 ZINC000554851191 865043065 /nfs/dbraw/zinc/04/30/65/865043065.db2.gz AOQQXDGSIHQUDN-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cscc3Br)CC2)C[C@@H](C)O1 ZINC000554855051 865049629 /nfs/dbraw/zinc/04/96/29/865049629.db2.gz IFOLRIUZRBMYDJ-ZIAGYGMSSA-N 2 1 387.387 3.832 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000667723890 865060899 /nfs/dbraw/zinc/06/08/99/865060899.db2.gz MKUQAGMWPWEBQL-IFMALSPDSA-N 2 1 378.520 3.664 20 0 GHADMP C/C(=C\c1ccccc1)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554868775 865062032 /nfs/dbraw/zinc/06/20/32/865062032.db2.gz LWEMWDVYYDOMGV-CBPAOYKXSA-N 2 1 375.560 3.982 20 0 GHADMP C/C(=C\c1ccccc1)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554868775 865062045 /nfs/dbraw/zinc/06/20/45/865062045.db2.gz LWEMWDVYYDOMGV-CBPAOYKXSA-N 2 1 375.560 3.982 20 0 GHADMP C[C@@H]1C[C@@H](N2CCN(c3nccc(Cl)n3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065497 865080882 /nfs/dbraw/zinc/08/08/82/865080882.db2.gz WXLWVASOHBALGQ-OPVJXMOQSA-N 2 1 399.970 3.694 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(F)cc3N(C)C)cc2)CC1 ZINC000480728923 865183590 /nfs/dbraw/zinc/18/35/90/865183590.db2.gz MMLRDWRGUNHPGU-LJQANCHMSA-N 2 1 398.570 3.880 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480801401 865309742 /nfs/dbraw/zinc/30/97/42/865309742.db2.gz PDZUXYSHBMJCEY-QFIPXVFZSA-N 2 1 383.580 3.943 20 0 GHADMP Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301367232 865313542 /nfs/dbraw/zinc/31/35/42/865313542.db2.gz RIQPCDKPMZPTFM-UHFFFAOYSA-N 2 1 378.467 3.583 20 0 GHADMP COCCc1ccc(OC[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000667767364 865460580 /nfs/dbraw/zinc/46/05/80/865460580.db2.gz FOOKJTYULOSENC-FQEVSTJZSA-N 2 1 382.548 3.897 20 0 GHADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000480921039 865512333 /nfs/dbraw/zinc/51/23/33/865512333.db2.gz OJPVJLFNNVROON-UHFFFAOYSA-N 2 1 376.495 3.979 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](Cc3cccc(N)c3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168066558 865522705 /nfs/dbraw/zinc/52/27/05/865522705.db2.gz QBGIMVTZXGEOOG-GQEURGSBSA-N 2 1 392.591 3.828 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000172268795 865542839 /nfs/dbraw/zinc/54/28/39/865542839.db2.gz MCYJZAMRCBKQMJ-UHFFFAOYSA-N 2 1 381.520 3.620 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000172268795 865542846 /nfs/dbraw/zinc/54/28/46/865542846.db2.gz MCYJZAMRCBKQMJ-UHFFFAOYSA-N 2 1 381.520 3.620 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000608655899 865563317 /nfs/dbraw/zinc/56/33/17/865563317.db2.gz UNDYMUVBDFBREA-NHCUHLMSSA-N 2 1 398.551 3.578 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)c1 ZINC000608659162 865565941 /nfs/dbraw/zinc/56/59/41/865565941.db2.gz GKQLJOYDOVAKLP-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000608659162 865565948 /nfs/dbraw/zinc/56/59/48/865565948.db2.gz GKQLJOYDOVAKLP-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000608659162 865565952 /nfs/dbraw/zinc/56/59/52/865565952.db2.gz GKQLJOYDOVAKLP-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP Brc1ccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000301876269 865582057 /nfs/dbraw/zinc/58/20/57/865582057.db2.gz NARUIPMVHPZVHN-HNNXBMFYSA-N 2 1 376.298 3.663 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)[C@H](C)[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC000481030080 865708974 /nfs/dbraw/zinc/70/89/74/865708974.db2.gz DPSXSYSSMRLRNF-INIZCTEOSA-N 2 1 386.565 3.719 20 0 GHADMP O[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)C[NH+]1CCCC1 ZINC000481050569 865745112 /nfs/dbraw/zinc/74/51/12/865745112.db2.gz OIYJPFBFMWSFJG-IRXDYDNUSA-N 2 1 391.968 3.887 20 0 GHADMP CC(C)c1cc(NC2CC[NH+](C3CC3)CC2)nc(NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000302784147 865922726 /nfs/dbraw/zinc/92/27/26/865922726.db2.gz UNZWECZGQASIOG-UHFFFAOYSA-N 3 1 398.599 3.677 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481177729 865933620 /nfs/dbraw/zinc/93/36/20/865933620.db2.gz UQBNTHZAYFVNHB-UWMMQMTFSA-N 2 1 395.591 3.572 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481177729 865933631 /nfs/dbraw/zinc/93/36/31/865933631.db2.gz UQBNTHZAYFVNHB-UWMMQMTFSA-N 2 1 395.591 3.572 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000481172315 865956879 /nfs/dbraw/zinc/95/68/79/865956879.db2.gz GKZDDOJGSPCKDC-MBSDFSHPSA-N 2 1 395.547 3.579 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C2CC2)o1 ZINC000481172315 865956883 /nfs/dbraw/zinc/95/68/83/865956883.db2.gz GKZDDOJGSPCKDC-MBSDFSHPSA-N 2 1 395.547 3.579 20 0 GHADMP C[N@H+]1CCC[C@H](N2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000671305692 866107312 /nfs/dbraw/zinc/10/73/12/866107312.db2.gz MHKCTEMTBKKKQT-SFHVURJKSA-N 2 1 390.984 3.675 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534096804 866125305 /nfs/dbraw/zinc/12/53/05/866125305.db2.gz LBJVVJFFTAFQDZ-UXHICEINSA-N 2 1 392.975 3.697 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534096804 866125315 /nfs/dbraw/zinc/12/53/15/866125315.db2.gz LBJVVJFFTAFQDZ-UXHICEINSA-N 2 1 392.975 3.697 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103622 866212849 /nfs/dbraw/zinc/21/28/49/866212849.db2.gz ZPZUYMXNZITIAK-MJGOQNOKSA-N 2 1 379.589 3.876 20 0 GHADMP O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000011079741 866304274 /nfs/dbraw/zinc/30/42/74/866304274.db2.gz RWHOHZKIEOJCRN-JOCHJYFZSA-N 2 1 381.495 3.531 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000793202017 881984064 /nfs/dbraw/zinc/98/40/64/881984064.db2.gz CQIPMISHINATAX-XUVXKRRUSA-N 2 1 394.506 3.855 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414081024 866743932 /nfs/dbraw/zinc/74/39/32/866743932.db2.gz DSCGMBDIXWVBPH-YLJYHZDGSA-N 2 1 377.960 3.508 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000553254841 867059702 /nfs/dbraw/zinc/05/97/02/867059702.db2.gz WDVDIEBCWFJSDK-UHFFFAOYSA-N 2 1 383.458 3.840 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479066084 867084158 /nfs/dbraw/zinc/08/41/58/867084158.db2.gz VXANWPWKMLPXRV-LJQANCHMSA-N 2 1 398.364 3.657 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000534612071 867139030 /nfs/dbraw/zinc/13/90/30/867139030.db2.gz SBYBGFWYAYOZNY-VABKMULXSA-N 2 1 392.547 3.568 20 0 GHADMP Cc1cc(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000444729150 867151699 /nfs/dbraw/zinc/15/16/99/867151699.db2.gz FEZZRYCUCWFEIL-LJQANCHMSA-N 2 1 397.538 3.735 20 0 GHADMP Cc1cc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000444729150 867151713 /nfs/dbraw/zinc/15/17/13/867151713.db2.gz FEZZRYCUCWFEIL-LJQANCHMSA-N 2 1 397.538 3.735 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000553340687 867228656 /nfs/dbraw/zinc/22/86/56/867228656.db2.gz SDPLMNLWEVRDOD-QFIPXVFZSA-N 2 1 387.543 3.686 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](CC5CCCC5)CC4)cc3c2C1 ZINC000667446179 867260396 /nfs/dbraw/zinc/26/03/96/867260396.db2.gz KKOLYRCSHJACFD-UHFFFAOYSA-N 2 1 394.563 3.540 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC4CC[NH+](CC5CCCC5)CC4)cc3c2C1 ZINC000667446179 867260409 /nfs/dbraw/zinc/26/04/09/867260409.db2.gz KKOLYRCSHJACFD-UHFFFAOYSA-N 2 1 394.563 3.540 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)C1 ZINC000857158085 882065790 /nfs/dbraw/zinc/06/57/90/882065790.db2.gz MEHGBAWJJGFQIP-FUDKSRODSA-N 2 1 381.564 3.585 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)C1 ZINC000857158085 882065810 /nfs/dbraw/zinc/06/58/10/882065810.db2.gz MEHGBAWJJGFQIP-FUDKSRODSA-N 2 1 381.564 3.585 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)c2)C1 ZINC000857158085 882065827 /nfs/dbraw/zinc/06/58/27/882065827.db2.gz MEHGBAWJJGFQIP-FUDKSRODSA-N 2 1 381.564 3.585 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000121332611 882078022 /nfs/dbraw/zinc/07/80/22/882078022.db2.gz NXFLBGSGSWBBGI-ROUUACIJSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000121332611 882078039 /nfs/dbraw/zinc/07/80/39/882078039.db2.gz NXFLBGSGSWBBGI-ROUUACIJSA-N 2 1 383.540 3.805 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000553458771 867460458 /nfs/dbraw/zinc/46/04/58/867460458.db2.gz BYNZOCPGFBLOMV-DHLKQENFSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553458771 867460465 /nfs/dbraw/zinc/46/04/65/867460465.db2.gz BYNZOCPGFBLOMV-DHLKQENFSA-N 2 1 395.591 3.766 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553458771 867460467 /nfs/dbraw/zinc/46/04/67/867460467.db2.gz BYNZOCPGFBLOMV-DHLKQENFSA-N 2 1 395.591 3.766 20 0 GHADMP C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000857182791 882094786 /nfs/dbraw/zinc/09/47/86/882094786.db2.gz OWDAXMHAKCNUEG-NMNUPHIUSA-N 2 1 379.548 3.917 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000523580464 867576344 /nfs/dbraw/zinc/57/63/44/867576344.db2.gz OOCMALDLPCNVTG-OALUTQOASA-N 2 1 379.548 3.679 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000523580464 867576355 /nfs/dbraw/zinc/57/63/55/867576355.db2.gz OOCMALDLPCNVTG-OALUTQOASA-N 2 1 379.548 3.679 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000162850144 867660475 /nfs/dbraw/zinc/66/04/75/867660475.db2.gz IJYIUEIYUXZAAN-KDURUIRLSA-N 2 1 394.003 3.783 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3cccc(Cl)c3n2C)CC1 ZINC000479401380 867672456 /nfs/dbraw/zinc/67/24/56/867672456.db2.gz GJYSGWMCOCEYDP-UHFFFAOYSA-N 2 1 397.954 3.658 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461368 867802983 /nfs/dbraw/zinc/80/29/83/867802983.db2.gz BTPGTLIYLNYKDV-IRLDBZIGSA-N 2 1 379.548 3.696 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000509499120 882120914 /nfs/dbraw/zinc/12/09/14/882120914.db2.gz RDJRAHVOADTHBL-TZIWHRDSSA-N 2 1 399.510 3.584 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479465750 867811010 /nfs/dbraw/zinc/81/10/10/867811010.db2.gz PLQSTKSFEBJEOD-PWWKTKHKSA-N 2 1 393.575 3.560 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479499482 867892909 /nfs/dbraw/zinc/89/29/09/867892909.db2.gz GBAQCKIUDSYSHV-FQEVSTJZSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000479528824 867925905 /nfs/dbraw/zinc/92/59/05/867925905.db2.gz GEZUJXYALKOCSU-OAQYLSRUSA-N 2 1 393.575 3.878 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000523812656 868034172 /nfs/dbraw/zinc/03/41/72/868034172.db2.gz UJUCHRQQPMCJJQ-FXAWDEMLSA-N 2 1 392.975 3.506 20 0 GHADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(I)cc1 ZINC000479555253 868046081 /nfs/dbraw/zinc/04/60/81/868046081.db2.gz NUVBRTUWOULTJP-IGEOTXOUSA-N 2 1 384.305 3.959 20 0 GHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C1 ZINC000479710059 868391170 /nfs/dbraw/zinc/39/11/70/868391170.db2.gz BTCPKTVPNZEYBF-IFMALSPDSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000479710059 868391186 /nfs/dbraw/zinc/39/11/86/868391186.db2.gz BTCPKTVPNZEYBF-IFMALSPDSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000479710059 868391199 /nfs/dbraw/zinc/39/11/99/868391199.db2.gz BTCPKTVPNZEYBF-IFMALSPDSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000524155889 868624459 /nfs/dbraw/zinc/62/44/59/868624459.db2.gz JTNDYXPMWAJJMV-QTEQDKRBSA-N 2 1 385.596 3.914 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000157581785 868694869 /nfs/dbraw/zinc/69/48/69/868694869.db2.gz AMHOELAETFCHCP-UHFFFAOYSA-N 2 1 378.495 3.808 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000621107737 868719590 /nfs/dbraw/zinc/71/95/90/868719590.db2.gz LQLJGCVLKBBUKF-FPOVZHCZSA-N 2 1 398.595 3.731 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000621107737 868719605 /nfs/dbraw/zinc/71/96/05/868719605.db2.gz LQLJGCVLKBBUKF-FPOVZHCZSA-N 2 1 398.595 3.731 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000524233945 868779853 /nfs/dbraw/zinc/77/98/53/868779853.db2.gz JIYWCSVTJYIHFZ-HXUWFJFHSA-N 2 1 379.976 3.913 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000524233945 868779862 /nfs/dbraw/zinc/77/98/62/868779862.db2.gz JIYWCSVTJYIHFZ-HXUWFJFHSA-N 2 1 379.976 3.913 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000544594229 882244789 /nfs/dbraw/zinc/24/47/89/882244789.db2.gz IFVBLYTWHHZFFR-UHFFFAOYSA-N 2 1 384.593 3.660 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000524371834 868998539 /nfs/dbraw/zinc/99/85/39/868998539.db2.gz WTENEYOPJINPMQ-HXUWFJFHSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379624805 869034578 /nfs/dbraw/zinc/03/45/78/869034578.db2.gz JWEFCZXEHKVPGY-JPLJXNOCSA-N 2 1 375.557 3.931 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379624805 869034593 /nfs/dbraw/zinc/03/45/93/869034593.db2.gz JWEFCZXEHKVPGY-JPLJXNOCSA-N 2 1 375.557 3.931 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379624799 869034625 /nfs/dbraw/zinc/03/46/25/869034625.db2.gz JWEFCZXEHKVPGY-DOADOZAASA-N 2 1 375.557 3.931 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379624799 869034640 /nfs/dbraw/zinc/03/46/40/869034640.db2.gz JWEFCZXEHKVPGY-DOADOZAASA-N 2 1 375.557 3.931 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(OC(F)F)c(Br)c3)CC[C@H]21 ZINC000539404291 869062906 /nfs/dbraw/zinc/06/29/06/869062906.db2.gz FZKSBCDKQHJILA-UKRRQHHQSA-N 2 1 389.284 3.967 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000445994423 869260286 /nfs/dbraw/zinc/26/02/86/869260286.db2.gz WUFSDLWTKPBBOD-ZNEWLNCYSA-N 2 1 391.559 3.692 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@H]2CC[N@H+](C)C2)n1 ZINC000524653678 869408017 /nfs/dbraw/zinc/40/80/17/869408017.db2.gz APNWYCVSBHXFPJ-OAHLLOKOSA-N 2 1 381.549 3.784 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@H]2CC[N@@H+](C)C2)n1 ZINC000524653678 869408026 /nfs/dbraw/zinc/40/80/26/869408026.db2.gz APNWYCVSBHXFPJ-OAHLLOKOSA-N 2 1 381.549 3.784 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000539634664 869479659 /nfs/dbraw/zinc/47/96/59/869479659.db2.gz ZKMDVGWCESRBRT-LLVKDONJSA-N 2 1 388.256 3.981 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000539660508 869548450 /nfs/dbraw/zinc/54/84/50/869548450.db2.gz MLSPDJFURXTRIG-WTIAFYNJSA-N 2 1 393.579 3.544 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000745730972 869774480 /nfs/dbraw/zinc/77/44/80/869774480.db2.gz XXCSCWAMNHUHFG-NRFANRHFSA-N 2 1 388.625 3.511 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)CC1 ZINC000539820185 869849643 /nfs/dbraw/zinc/84/96/43/869849643.db2.gz GFRHBEKTYMRSIM-LJQANCHMSA-N 2 1 376.614 3.791 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000539861776 869911297 /nfs/dbraw/zinc/91/12/97/869911297.db2.gz CEPSQPKOSNORNS-UHFFFAOYSA-N 2 1 378.948 3.550 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(OC)ccc2Br)CC1 ZINC000539861340 869912577 /nfs/dbraw/zinc/91/25/77/869912577.db2.gz MFVVEDFJMPQNNI-UHFFFAOYSA-N 2 1 399.373 3.781 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)C[C@H](C)O1 ZINC000539884013 869970607 /nfs/dbraw/zinc/97/06/07/869970607.db2.gz QEBKJOKXYOUHGI-IYBDPMFKSA-N 2 1 384.923 3.679 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462741434 869977036 /nfs/dbraw/zinc/97/70/36/869977036.db2.gz UFNNKHFPHHLKJU-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[C@H](c2ccccc2)C1 ZINC000462791211 870085643 /nfs/dbraw/zinc/08/56/43/870085643.db2.gz RKFVHDNQLAHWMY-XQUALCHDSA-N 2 1 385.596 3.550 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000462876137 870273577 /nfs/dbraw/zinc/27/35/77/870273577.db2.gz JHQNJHXOBQIINT-QHCPKHFHSA-N 2 1 381.564 3.823 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462876137 870273591 /nfs/dbraw/zinc/27/35/91/870273591.db2.gz JHQNJHXOBQIINT-QHCPKHFHSA-N 2 1 381.564 3.823 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462876137 870273604 /nfs/dbraw/zinc/27/36/04/870273604.db2.gz JHQNJHXOBQIINT-QHCPKHFHSA-N 2 1 381.564 3.823 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000462884642 870299313 /nfs/dbraw/zinc/29/93/13/870299313.db2.gz QKSKNCKFZOTHNH-DEOSSOPVSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000538688693 870353766 /nfs/dbraw/zinc/35/37/66/870353766.db2.gz YEPDVRZFZADUSN-OALUTQOASA-N 2 1 394.563 3.556 20 0 GHADMP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000248388962 870357750 /nfs/dbraw/zinc/35/77/50/870357750.db2.gz AFFBNNFPDDCNGC-UAKAABGRSA-N 2 1 383.580 3.522 20 0 GHADMP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000248388962 870357949 /nfs/dbraw/zinc/35/79/49/870357949.db2.gz AFFBNNFPDDCNGC-UAKAABGRSA-N 2 1 383.580 3.522 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248409582 870389030 /nfs/dbraw/zinc/38/90/30/870389030.db2.gz WTQVMCSTHYHHSY-YRPNKDGESA-N 2 1 390.616 3.592 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409582 870389053 /nfs/dbraw/zinc/38/90/53/870389053.db2.gz WTQVMCSTHYHHSY-YRPNKDGESA-N 2 1 390.616 3.592 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409582 870389099 /nfs/dbraw/zinc/38/90/99/870389099.db2.gz WTQVMCSTHYHHSY-YRPNKDGESA-N 2 1 390.616 3.592 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]Cc4ccnc(N5CCCC5)c4)[C@H]3C2)cc1 ZINC000248419827 870402464 /nfs/dbraw/zinc/40/24/64/870402464.db2.gz VSFOTZHGKRXPND-VABKMULXSA-N 2 1 376.548 3.682 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000248449968 870430339 /nfs/dbraw/zinc/43/03/39/870430339.db2.gz OWCBQJGPQCREPF-MGPUTAFESA-N 2 1 389.337 3.867 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC4(CCCC4)CC3)CC2)CC1 ZINC000617563127 870434481 /nfs/dbraw/zinc/43/44/81/870434481.db2.gz GLFMXICIJUZABY-UHFFFAOYSA-N 2 1 375.601 3.756 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1OC ZINC000248457938 870436206 /nfs/dbraw/zinc/43/62/06/870436206.db2.gz UIBOZFDHIFRWMY-RXVVDRJESA-N 2 1 398.547 3.820 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248460127 870439132 /nfs/dbraw/zinc/43/91/32/870439132.db2.gz WGIVVRWNPRHXOR-GMAHTHKFSA-N 2 1 380.532 3.955 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000248463729 870443898 /nfs/dbraw/zinc/44/38/98/870443898.db2.gz ZDCQJIJGVHHALM-AVRDEDQJSA-N 2 1 396.531 3.655 20 0 GHADMP CC(C)(C)[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001192481933 870456284 /nfs/dbraw/zinc/45/62/84/870456284.db2.gz RQBPOOJSPSPQJJ-PXNSSMCTSA-N 2 1 391.987 3.961 20 0 GHADMP CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001192481933 870456293 /nfs/dbraw/zinc/45/62/93/870456293.db2.gz RQBPOOJSPSPQJJ-PXNSSMCTSA-N 2 1 391.987 3.961 20 0 GHADMP CC(C)[C@H](CNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248589206 870519977 /nfs/dbraw/zinc/51/99/77/870519977.db2.gz QUKKDCWENVTBLI-NWSQWKLXSA-N 2 1 385.596 3.785 20 0 GHADMP CC(C)[C@H](CNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248589206 870519984 /nfs/dbraw/zinc/51/99/84/870519984.db2.gz QUKKDCWENVTBLI-NWSQWKLXSA-N 2 1 385.596 3.785 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000538749235 870558976 /nfs/dbraw/zinc/55/89/76/870558976.db2.gz CNRYINGZPVDQGQ-UHFFFAOYSA-N 2 1 392.975 3.797 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cn2c3ccccc3nc2SC(F)F)C1 ZINC000746383531 870591663 /nfs/dbraw/zinc/59/16/63/870591663.db2.gz WXPKHSXQZLCWFQ-OAHLLOKOSA-N 2 1 380.508 3.972 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000525392529 870600984 /nfs/dbraw/zinc/60/09/84/870600984.db2.gz NPQIFBGXYFHCKT-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000525392529 870600989 /nfs/dbraw/zinc/60/09/89/870600989.db2.gz NPQIFBGXYFHCKT-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000525392529 870601002 /nfs/dbraw/zinc/60/10/02/870601002.db2.gz NPQIFBGXYFHCKT-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2nc3cc(F)ccc3n2C)CC[N@@H+]1Cc1ccccc1 ZINC000540170789 870655884 /nfs/dbraw/zinc/65/58/84/870655884.db2.gz WLVJIRNPBVOXGD-YLJYHZDGSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2nc3cc(F)ccc3n2C)CC[N@H+]1Cc1ccccc1 ZINC000540170789 870655889 /nfs/dbraw/zinc/65/58/89/870655889.db2.gz WLVJIRNPBVOXGD-YLJYHZDGSA-N 2 1 380.511 3.898 20 0 GHADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C(C)C ZINC000766384624 870671887 /nfs/dbraw/zinc/67/18/87/870671887.db2.gz PROAREGBJCYSTA-HNNXBMFYSA-N 2 1 376.513 3.842 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000122214414 882445439 /nfs/dbraw/zinc/44/54/39/882445439.db2.gz ICMMQDWYHQIMNY-GOSISDBHSA-N 2 1 386.540 3.868 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OCCO ZINC000463077992 870851565 /nfs/dbraw/zinc/85/15/65/870851565.db2.gz MWJXNPLWFXDVKP-XQBPLPMBSA-N 2 1 398.547 3.770 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1OCCO ZINC000463077992 870851574 /nfs/dbraw/zinc/85/15/74/870851574.db2.gz MWJXNPLWFXDVKP-XQBPLPMBSA-N 2 1 398.547 3.770 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000249947114 870929160 /nfs/dbraw/zinc/92/91/60/870929160.db2.gz UQUBRIBJBQZPMI-KRWDZBQOSA-N 2 1 386.403 3.579 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884894 870974921 /nfs/dbraw/zinc/97/49/21/870974921.db2.gz SRQNMZIXRSKQRD-NMIHRBCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884894 870974930 /nfs/dbraw/zinc/97/49/30/870974930.db2.gz SRQNMZIXRSKQRD-NMIHRBCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884894 870974950 /nfs/dbraw/zinc/97/49/50/870974950.db2.gz SRQNMZIXRSKQRD-NMIHRBCNSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168884894 870974964 /nfs/dbraw/zinc/97/49/64/870974964.db2.gz SRQNMZIXRSKQRD-NMIHRBCNSA-N 2 1 399.579 3.838 20 0 GHADMP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)c1 ZINC000463138013 870990990 /nfs/dbraw/zinc/99/09/90/870990990.db2.gz NWGOVPPYPACDSG-CKUXNOBLSA-N 2 1 381.564 3.941 20 0 GHADMP c1ccc(N2CCN(CCC[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000509643506 871059923 /nfs/dbraw/zinc/05/99/23/871059923.db2.gz NWZWORRXXXCBFD-XMMPIXPASA-N 2 1 398.639 3.787 20 0 GHADMP c1ccc(N2CCN(CCC[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)cc1 ZINC000509643506 871059943 /nfs/dbraw/zinc/05/99/43/871059943.db2.gz NWZWORRXXXCBFD-XMMPIXPASA-N 2 1 398.639 3.787 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000122200745 882472205 /nfs/dbraw/zinc/47/22/05/882472205.db2.gz ZPQYGTOTASBIMU-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000122200745 882472222 /nfs/dbraw/zinc/47/22/22/882472222.db2.gz ZPQYGTOTASBIMU-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2N2CCCCC2)c2cccs2)CC1 ZINC000920957116 882473037 /nfs/dbraw/zinc/47/30/37/882473037.db2.gz IJNIJHUMQPZSPY-JOCHJYFZSA-N 2 1 398.620 3.817 20 0 GHADMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000093006860 882473639 /nfs/dbraw/zinc/47/36/39/882473639.db2.gz NTNPIZOJVGRBSM-UHFFFAOYSA-N 2 1 389.547 3.826 20 0 GHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001169070233 871156805 /nfs/dbraw/zinc/15/68/05/871156805.db2.gz OZFQFQGCARWUBU-ZCNNSNEGSA-N 2 1 375.557 3.570 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001169101251 871175366 /nfs/dbraw/zinc/17/53/66/871175366.db2.gz PWIPYXOLKXJAPX-BURNTYAHSA-N 2 1 385.552 3.563 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000539056376 871191134 /nfs/dbraw/zinc/19/11/34/871191134.db2.gz JGKZFRGZILMRFI-BJLQDIEVSA-N 2 1 386.540 3.567 20 0 GHADMP COc1cc2cccnc2c(N([C@@H](C)CCC[NH3+])[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169091502 871200116 /nfs/dbraw/zinc/20/01/16/871200116.db2.gz SMXRXTMOWUWRBH-IJXRJRJASA-N 2 1 382.552 3.802 20 0 GHADMP CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129525 871219617 /nfs/dbraw/zinc/21/96/17/871219617.db2.gz ITZPEEAPHAROAM-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129525 871219634 /nfs/dbraw/zinc/21/96/34/871219634.db2.gz ITZPEEAPHAROAM-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129525 871219652 /nfs/dbraw/zinc/21/96/52/871219652.db2.gz ITZPEEAPHAROAM-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129525 871219670 /nfs/dbraw/zinc/21/96/70/871219670.db2.gz ITZPEEAPHAROAM-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129525 871219682 /nfs/dbraw/zinc/21/96/82/871219682.db2.gz ITZPEEAPHAROAM-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131663 871223468 /nfs/dbraw/zinc/22/34/68/871223468.db2.gz XKKTUAJGUJZBHD-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131663 871223481 /nfs/dbraw/zinc/22/34/81/871223481.db2.gz XKKTUAJGUJZBHD-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131663 871223495 /nfs/dbraw/zinc/22/34/95/871223495.db2.gz XKKTUAJGUJZBHD-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccc(C(F)(F)F)cc3)CCOCC1)C2 ZINC001169109388 871235919 /nfs/dbraw/zinc/23/59/19/871235919.db2.gz BQRNLNVPTGEMMB-REPLKXPHSA-N 2 1 382.470 3.968 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000539075693 871265523 /nfs/dbraw/zinc/26/55/23/871265523.db2.gz FFZSWXYJDCTEQY-UWJYYQICSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1Cl ZINC000539075693 871265542 /nfs/dbraw/zinc/26/55/42/871265542.db2.gz FFZSWXYJDCTEQY-UWJYYQICSA-N 2 1 385.939 3.570 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169154189 871267815 /nfs/dbraw/zinc/26/78/15/871267815.db2.gz NWVPAXKLGZUJKK-PMOLBWCYSA-N 2 1 381.486 3.885 20 0 GHADMP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc(C)cc1C[NH+]1CCOCC1 ZINC001169179262 871302917 /nfs/dbraw/zinc/30/29/17/871302917.db2.gz HIDPDBJSUGCQPJ-UHFFFAOYSA-N 2 1 393.531 3.589 20 0 GHADMP CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000463281078 871323839 /nfs/dbraw/zinc/32/38/39/871323839.db2.gz JRQMXXDGWIGOHG-BHCHBHOJSA-N 2 1 383.580 3.855 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000103190975 871426455 /nfs/dbraw/zinc/42/64/55/871426455.db2.gz NNOUWGJYMIADMB-HSZRJFAPSA-N 2 1 394.563 3.849 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001169476714 871549654 /nfs/dbraw/zinc/54/96/54/871549654.db2.gz SDKHNLGCFTXTNH-INIZCTEOSA-N 2 1 388.943 3.657 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3ccsc3)CC2)cc1 ZINC000540560704 871591980 /nfs/dbraw/zinc/59/19/80/871591980.db2.gz RUWJLHFRQDGLDT-JOCHJYFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3ccsc3)CC2)cc1 ZINC000540560704 871591988 /nfs/dbraw/zinc/59/19/88/871591988.db2.gz RUWJLHFRQDGLDT-JOCHJYFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccsc3)CC2)cc1 ZINC000540560704 871591995 /nfs/dbraw/zinc/59/19/95/871591995.db2.gz RUWJLHFRQDGLDT-JOCHJYFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccsc3)CC2)cc1 ZINC000540560704 871592008 /nfs/dbraw/zinc/59/20/08/871592008.db2.gz RUWJLHFRQDGLDT-JOCHJYFZSA-N 2 1 397.588 3.928 20 0 GHADMP CCC[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540585960 871596624 /nfs/dbraw/zinc/59/66/24/871596624.db2.gz LIYUYAQGIKOABI-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+](CCOC)CC1)Cc1cccc(Br)c1 ZINC000462105914 871603067 /nfs/dbraw/zinc/60/30/67/871603067.db2.gz QVKPOCJBKSOCEK-INIZCTEOSA-N 2 1 383.374 3.718 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000122322060 882529209 /nfs/dbraw/zinc/52/92/09/882529209.db2.gz IRFZFGLPXSSTJS-QTEQDKRBSA-N 2 1 384.568 3.719 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000122322060 882529221 /nfs/dbraw/zinc/52/92/21/882529221.db2.gz IRFZFGLPXSSTJS-QTEQDKRBSA-N 2 1 384.568 3.719 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000462118419 871646769 /nfs/dbraw/zinc/64/67/69/871646769.db2.gz WCSCFPRYMQRVRU-RPWUZVMVSA-N 2 1 393.575 3.885 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000618492945 871680530 /nfs/dbraw/zinc/68/05/30/871680530.db2.gz PWGLYHMTMIVJJR-UHFFFAOYSA-N 2 1 391.559 3.939 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000525952012 871757699 /nfs/dbraw/zinc/75/76/99/871757699.db2.gz RELRIMQGDOJTHC-ZJSXRUAMSA-N 2 1 383.580 3.620 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001169735531 871831846 /nfs/dbraw/zinc/83/18/46/871831846.db2.gz JSASJDWJFIFBNU-XMMPIXPASA-N 2 1 391.559 3.588 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@H]2CCC[C@H]21 ZINC000552040790 871918591 /nfs/dbraw/zinc/91/85/91/871918591.db2.gz ZAYBBDNSMFIXSH-BHIFYINESA-N 2 1 381.520 3.502 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2I)CCC[C@H]1C[NH3+] ZINC001206025269 872020460 /nfs/dbraw/zinc/02/04/60/872020460.db2.gz MYOONXQFZLYPIJ-NEPJUHHUSA-N 2 1 392.712 3.751 20 0 GHADMP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2I)CCC[C@H]1C[NH3+] ZINC001206025273 872020690 /nfs/dbraw/zinc/02/06/90/872020690.db2.gz MYOONXQFZLYPIJ-RYUDHWBXSA-N 2 1 392.712 3.751 20 0 GHADMP c1[nH+]c2cc(NCCOc3ccc4c(c3)OCO4)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001169932257 872021728 /nfs/dbraw/zinc/02/17/28/872021728.db2.gz SUDLUXCLRILAJH-QGZVFWFLSA-N 2 1 394.475 3.571 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cc1F ZINC000775621824 872059759 /nfs/dbraw/zinc/05/97/59/872059759.db2.gz MRYWBQIZHIHGEO-ZWKOTPCHSA-N 2 1 388.487 3.855 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182226167 872074567 /nfs/dbraw/zinc/07/45/67/872074567.db2.gz SKKWJLZSVJRYLT-DHIUTWEWSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093324770 872080209 /nfs/dbraw/zinc/08/02/09/872080209.db2.gz HZUUYQNDXGKGLE-IBGZPJMESA-N 2 1 381.564 3.986 20 0 GHADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552200029 872195548 /nfs/dbraw/zinc/19/55/48/872195548.db2.gz RWAPIOQKMXJARL-HSZRJFAPSA-N 2 1 395.591 3.908 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000618999386 872224724 /nfs/dbraw/zinc/22/47/24/872224724.db2.gz SPLSPXKXRFNLSF-UHFFFAOYSA-N 2 1 394.563 3.765 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477966680 872228380 /nfs/dbraw/zinc/22/83/80/872228380.db2.gz NWJRFHSUUDGDOX-JOCHJYFZSA-N 2 1 397.538 3.628 20 0 GHADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000552282395 872343851 /nfs/dbraw/zinc/34/38/51/872343851.db2.gz CKFUJXCBGCJURL-KURKYZTESA-N 2 1 381.358 3.853 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122444074 882603993 /nfs/dbraw/zinc/60/39/93/882603993.db2.gz KZEPRWQHUOOKKM-GCJKJVERSA-N 2 1 387.568 3.652 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)[C@H](C)C1 ZINC000122444074 882604002 /nfs/dbraw/zinc/60/40/02/882604002.db2.gz KZEPRWQHUOOKKM-GCJKJVERSA-N 2 1 387.568 3.652 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2C)cc1 ZINC000463743302 872483697 /nfs/dbraw/zinc/48/36/97/872483697.db2.gz GGPIHNKOBWZIQS-SEJPIABJSA-N 2 1 382.552 3.662 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000448049108 872775810 /nfs/dbraw/zinc/77/58/10/872775810.db2.gz NFJBKZJXXBFAIX-APWZRJJASA-N 2 1 397.485 3.704 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000152975842 873031064 /nfs/dbraw/zinc/03/10/64/873031064.db2.gz LUEIXUIKRCWZRW-SFHVURJKSA-N 2 1 385.527 3.823 20 0 GHADMP CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000026191323 873165199 /nfs/dbraw/zinc/16/51/99/873165199.db2.gz ZLIKUTWQWVHOHD-FQEVSTJZSA-N 2 1 393.575 3.850 20 0 GHADMP CN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000541258478 873227363 /nfs/dbraw/zinc/22/73/63/873227363.db2.gz RFWVGXSGUOLGTR-UHFFFAOYSA-N 2 1 398.551 3.539 20 0 GHADMP CN(CCC[NH+]1CCCC1)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000541258478 873227371 /nfs/dbraw/zinc/22/73/71/873227371.db2.gz RFWVGXSGUOLGTR-UHFFFAOYSA-N 2 1 398.551 3.539 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000541339581 873425913 /nfs/dbraw/zinc/42/59/13/873425913.db2.gz REMBJYFQUKDNDL-RTBURBONSA-N 2 1 394.987 3.863 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000448470513 873434422 /nfs/dbraw/zinc/43/44/22/873434422.db2.gz FYSOSSYPYPYBLM-FGZHOGPDSA-N 2 1 392.632 3.652 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527758734 873531923 /nfs/dbraw/zinc/53/19/23/873531923.db2.gz PKMRMBWMYGQNAE-GCJKJVERSA-N 2 1 384.568 3.528 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3CC3(Cl)Cl)CC2)c1C ZINC000768740902 873547090 /nfs/dbraw/zinc/54/70/90/873547090.db2.gz DLVUTMVKZDAMSE-OAHLLOKOSA-N 2 1 386.367 3.797 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3CC3(Cl)Cl)CC2)c1C ZINC000768740902 873547094 /nfs/dbraw/zinc/54/70/94/873547094.db2.gz DLVUTMVKZDAMSE-OAHLLOKOSA-N 2 1 386.367 3.797 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527787912 873575156 /nfs/dbraw/zinc/57/51/56/873575156.db2.gz SXCGFKQTMMWRFD-HXUWFJFHSA-N 2 1 377.960 3.636 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527787912 873575161 /nfs/dbraw/zinc/57/51/61/873575161.db2.gz SXCGFKQTMMWRFD-HXUWFJFHSA-N 2 1 377.960 3.636 20 0 GHADMP COc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1OCc1c(C)noc1C ZINC000527809084 873594364 /nfs/dbraw/zinc/59/43/64/873594364.db2.gz SKWJLPLWHQWOHC-FQEVSTJZSA-N 2 1 399.535 3.986 20 0 GHADMP COc1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)ccc1OCc1c(C)noc1C ZINC000527809084 873594373 /nfs/dbraw/zinc/59/43/73/873594373.db2.gz SKWJLPLWHQWOHC-FQEVSTJZSA-N 2 1 399.535 3.986 20 0 GHADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000550882094 882763470 /nfs/dbraw/zinc/76/34/70/882763470.db2.gz IMEFQUYUSXIYKN-DHIUTWEWSA-N 2 1 386.580 3.710 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1C ZINC000769215093 873897341 /nfs/dbraw/zinc/89/73/41/873897341.db2.gz ZHDUOWRVEWCUAN-MSOLQXFVSA-N 2 1 376.541 3.825 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1C ZINC000769215093 873897358 /nfs/dbraw/zinc/89/73/58/873897358.db2.gz ZHDUOWRVEWCUAN-MSOLQXFVSA-N 2 1 376.541 3.825 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1C ZINC000769215093 873897378 /nfs/dbraw/zinc/89/73/78/873897378.db2.gz ZHDUOWRVEWCUAN-MSOLQXFVSA-N 2 1 376.541 3.825 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)C[C@H]1C ZINC000769215093 873897396 /nfs/dbraw/zinc/89/73/96/873897396.db2.gz ZHDUOWRVEWCUAN-MSOLQXFVSA-N 2 1 376.541 3.825 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541584592 873925958 /nfs/dbraw/zinc/92/59/58/873925958.db2.gz KHIIWKLOTSJNSI-MRXNPFEDSA-N 2 1 399.501 3.906 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541584592 873925971 /nfs/dbraw/zinc/92/59/71/873925971.db2.gz KHIIWKLOTSJNSI-MRXNPFEDSA-N 2 1 399.501 3.906 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769513600 874120941 /nfs/dbraw/zinc/12/09/41/874120941.db2.gz CPAASLLCPASBES-HXUWFJFHSA-N 2 1 379.589 3.687 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)nc2)CC1 ZINC000449075477 874455446 /nfs/dbraw/zinc/45/54/46/874455446.db2.gz RHTNXIPPOMRYNX-UHFFFAOYSA-N 2 1 388.600 3.687 20 0 GHADMP COCCN1CCC([NH2+]Cc2cc(Cl)c(C)cc2Br)CC1 ZINC000449103735 874476256 /nfs/dbraw/zinc/47/62/56/874476256.db2.gz CAFAYMRACODPIC-UHFFFAOYSA-N 2 1 375.738 3.611 20 0 GHADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449141881 874529797 /nfs/dbraw/zinc/52/97/97/874529797.db2.gz RKVFSPTXCPAEFT-MSOLQXFVSA-N 2 1 380.598 3.684 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449141881 874529800 /nfs/dbraw/zinc/52/98/00/874529800.db2.gz RKVFSPTXCPAEFT-MSOLQXFVSA-N 2 1 380.598 3.684 20 0 GHADMP CCn1nnc(C)c1CNC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159298 874538397 /nfs/dbraw/zinc/53/83/97/874538397.db2.gz ZBRZBQHALGRJEK-QFBILLFUSA-N 2 1 395.473 3.798 20 0 GHADMP c1nc(CCc2ccccc2)sc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449160489 874555916 /nfs/dbraw/zinc/55/59/16/874555916.db2.gz LYQCBTRKNZYOPR-IBGZPJMESA-N 2 1 385.577 3.519 20 0 GHADMP C[C@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449326744 874709558 /nfs/dbraw/zinc/70/95/58/874709558.db2.gz YUMDFBYURQOMCA-KURKYZTESA-N 2 1 396.522 3.659 20 0 GHADMP C[C@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449326744 874709563 /nfs/dbraw/zinc/70/95/63/874709563.db2.gz YUMDFBYURQOMCA-KURKYZTESA-N 2 1 396.522 3.659 20 0 GHADMP CC(C)(C)OC1CC[NH+](CC2(C[NH+]3CCC(OC(C)(C)C)CC3)COC2)CC1 ZINC000541999537 874734075 /nfs/dbraw/zinc/73/40/75/874734075.db2.gz JJAAEONNYOCNJT-UHFFFAOYSA-N 2 1 396.616 3.562 20 0 GHADMP COc1nccnc1C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449415660 874811044 /nfs/dbraw/zinc/81/10/44/874811044.db2.gz PYRMMTRYYSMDEK-OAQYLSRUSA-N 2 1 380.536 3.608 20 0 GHADMP COc1nccnc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449415660 874811057 /nfs/dbraw/zinc/81/10/57/874811057.db2.gz PYRMMTRYYSMDEK-OAQYLSRUSA-N 2 1 380.536 3.608 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC000528657600 874843898 /nfs/dbraw/zinc/84/38/98/874843898.db2.gz RQFKLLYQKGGUMF-TWHAJKEOSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC000528657600 874843903 /nfs/dbraw/zinc/84/39/03/874843903.db2.gz RQFKLLYQKGGUMF-TWHAJKEOSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC000528657600 874843909 /nfs/dbraw/zinc/84/39/09/874843909.db2.gz RQFKLLYQKGGUMF-TWHAJKEOSA-N 2 1 383.580 3.524 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528671364 874894215 /nfs/dbraw/zinc/89/42/15/874894215.db2.gz XGMDZJNHVUXRNQ-CTNGQTDRSA-N 2 1 389.971 3.639 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528671364 874894221 /nfs/dbraw/zinc/89/42/21/874894221.db2.gz XGMDZJNHVUXRNQ-CTNGQTDRSA-N 2 1 389.971 3.639 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccnc2Br)cc1 ZINC001199329423 874928778 /nfs/dbraw/zinc/92/87/78/874928778.db2.gz STSKUQBRLHNHIP-UHFFFAOYSA-N 2 1 392.341 3.855 20 0 GHADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000449657575 875195309 /nfs/dbraw/zinc/19/53/09/875195309.db2.gz PSUSJQVJSZCQMC-VSKRKVRLSA-N 2 1 382.552 3.634 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000105443133 875297174 /nfs/dbraw/zinc/29/71/74/875297174.db2.gz IJJPBASSCCPECK-CYBMUJFWSA-N 2 1 396.329 3.787 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000528997213 875419324 /nfs/dbraw/zinc/41/93/24/875419324.db2.gz XANNUKYZUROXOL-WWPVKYPJSA-N 2 1 383.580 3.547 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000528997213 875419328 /nfs/dbraw/zinc/41/93/28/875419328.db2.gz XANNUKYZUROXOL-WWPVKYPJSA-N 2 1 383.580 3.547 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000528997213 875419331 /nfs/dbraw/zinc/41/93/31/875419331.db2.gz XANNUKYZUROXOL-WWPVKYPJSA-N 2 1 383.580 3.547 20 0 GHADMP COc1ccccc1-c1ncc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000491377257 875659076 /nfs/dbraw/zinc/65/90/76/875659076.db2.gz VYHBZGHMETVCEO-FQEVSTJZSA-N 2 1 388.515 3.764 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000491377257 875659081 /nfs/dbraw/zinc/65/90/81/875659081.db2.gz VYHBZGHMETVCEO-FQEVSTJZSA-N 2 1 388.515 3.764 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000491377257 875659086 /nfs/dbraw/zinc/65/90/86/875659086.db2.gz VYHBZGHMETVCEO-FQEVSTJZSA-N 2 1 388.515 3.764 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000529164651 875739949 /nfs/dbraw/zinc/73/99/49/875739949.db2.gz CBHBCEAKXUTSCO-DNVJHFABSA-N 2 1 385.596 3.723 20 0 GHADMP c1nnn(Cc2ccccc2)c1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000491597625 875832088 /nfs/dbraw/zinc/83/20/88/875832088.db2.gz XMFVDBZRPFHVRA-QHCPKHFHSA-N 2 1 389.547 3.718 20 0 GHADMP c1nnn(Cc2ccccc2)c1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000491597625 875832104 /nfs/dbraw/zinc/83/21/04/875832104.db2.gz XMFVDBZRPFHVRA-QHCPKHFHSA-N 2 1 389.547 3.718 20 0 GHADMP FC(F)(F)c1cccc(OCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001201778456 875876324 /nfs/dbraw/zinc/87/63/24/875876324.db2.gz SWYBSCHEDCWDRR-UHFFFAOYSA-N 2 1 379.426 3.733 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC001201954273 875952441 /nfs/dbraw/zinc/95/24/41/875952441.db2.gz KDGWTQANWWSCMC-JOCHJYFZSA-N 2 1 380.532 3.864 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000491902505 876019596 /nfs/dbraw/zinc/01/95/96/876019596.db2.gz SBYBITOOBZHSQO-IBGZPJMESA-N 2 1 375.582 3.747 20 0 GHADMP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000450225602 876114112 /nfs/dbraw/zinc/11/41/12/876114112.db2.gz HCDVCACPZDGAPI-BPQIPLTHSA-N 2 1 391.522 3.761 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000192777774 883016345 /nfs/dbraw/zinc/01/63/45/883016345.db2.gz UUEQGVONFSTMSH-FQEVSTJZSA-N 2 1 394.003 3.847 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000173327099 876322772 /nfs/dbraw/zinc/32/27/72/876322772.db2.gz OGNXDBCTWNUNSK-LJQANCHMSA-N 2 1 397.563 3.692 20 0 GHADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccc(F)cc2)cc1 ZINC000492224725 876448844 /nfs/dbraw/zinc/44/88/44/876448844.db2.gz NTSYJYGSJRNAFW-FYYLOGMGSA-N 2 1 386.511 3.750 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 ZINC000192917809 883046004 /nfs/dbraw/zinc/04/60/04/883046004.db2.gz ADWKNBQBPNVGTQ-VWNXMTODSA-N 2 1 380.532 3.856 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000858347627 883040099 /nfs/dbraw/zinc/04/00/99/883040099.db2.gz DRCQIHUZIJTZTI-WOJBJXKFSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174148488 876859863 /nfs/dbraw/zinc/85/98/63/876859863.db2.gz IBJIWDZCYHKNQD-NHCUHLMSSA-N 2 1 398.595 3.688 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000850446642 876930223 /nfs/dbraw/zinc/93/02/23/876930223.db2.gz AWBDISDNJCHJHQ-JSFXGIFRSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458453 876940522 /nfs/dbraw/zinc/94/05/22/876940522.db2.gz SNOSTCITTRQMTF-MBSDFSHPSA-N 2 1 380.532 3.819 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000786837225 876954841 /nfs/dbraw/zinc/95/48/41/876954841.db2.gz JQNZBAMKUAEGQD-OALUTQOASA-N 2 1 393.369 3.978 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000530036302 877005173 /nfs/dbraw/zinc/00/51/73/877005173.db2.gz CNOZYJJMFWLRJE-LJQANCHMSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000850576252 877043857 /nfs/dbraw/zinc/04/38/57/877043857.db2.gz IODVOYIFGJLNCD-AUSIDOKSSA-N 2 1 392.547 3.607 20 0 GHADMP C[C@H]1C[C@@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1 ZINC000451034691 877244933 /nfs/dbraw/zinc/24/49/33/877244933.db2.gz DONWNBCXHNCVCQ-VJANTYMQSA-N 2 1 394.987 3.526 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000746675240 877328012 /nfs/dbraw/zinc/32/80/12/877328012.db2.gz LUJBHWPHTMKKCN-XMSQKQJNSA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC000746675240 877328026 /nfs/dbraw/zinc/32/80/26/877328026.db2.gz LUJBHWPHTMKKCN-XMSQKQJNSA-N 2 1 383.536 3.600 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000136746988 877362065 /nfs/dbraw/zinc/36/20/65/877362065.db2.gz PRRREFCWOXQZNC-GOTSBHOMSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080054684 877432371 /nfs/dbraw/zinc/43/23/71/877432371.db2.gz UVOSXZFHIPPGMX-PKOBYXMFSA-N 2 1 386.584 3.648 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000080166764 877483118 /nfs/dbraw/zinc/48/31/18/877483118.db2.gz IJBRYBDXQKADOF-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000080166764 877483123 /nfs/dbraw/zinc/48/31/23/877483123.db2.gz IJBRYBDXQKADOF-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000080166764 877483127 /nfs/dbraw/zinc/48/31/27/877483127.db2.gz IJBRYBDXQKADOF-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC[C@@H]21 ZINC000137951707 877673335 /nfs/dbraw/zinc/67/33/35/877673335.db2.gz KEUQFKDMSKZQNN-GOTSBHOMSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620089 912284465 /nfs/dbraw/zinc/28/44/65/912284465.db2.gz ZYPYDDKRPVSCKG-ZSZQSSIHSA-N 2 1 381.358 3.725 20 0 GHADMP CC1(C)CC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC(C)(C)[NH2+]1 ZINC000477644012 877969417 /nfs/dbraw/zinc/96/94/17/877969417.db2.gz XVHSSVHBPJYYJT-SFHVURJKSA-N 2 1 393.522 3.569 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084532 878056097 /nfs/dbraw/zinc/05/60/97/878056097.db2.gz BQVMQOOOVCKCCB-OALUTQOASA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084532 878056106 /nfs/dbraw/zinc/05/61/06/878056106.db2.gz BQVMQOOOVCKCCB-OALUTQOASA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084532 878056126 /nfs/dbraw/zinc/05/61/26/878056126.db2.gz BQVMQOOOVCKCCB-OALUTQOASA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084532 878056141 /nfs/dbraw/zinc/05/61/41/878056141.db2.gz BQVMQOOOVCKCCB-OALUTQOASA-N 2 1 378.582 3.886 20 0 GHADMP Cc1cc(C)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000237909309 878314693 /nfs/dbraw/zinc/31/46/93/878314693.db2.gz QOJWVHIVRIYNNH-QFIPXVFZSA-N 2 1 379.548 3.599 20 0 GHADMP O=C(N1CCC[C@@H]([C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000852472748 878350074 /nfs/dbraw/zinc/35/00/74/878350074.db2.gz CMSPLXLYVLMYJE-MSOLQXFVSA-N 2 1 389.506 3.518 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000667035829 878457064 /nfs/dbraw/zinc/45/70/64/878457064.db2.gz SOKHWPGZRKEYCC-QHCPKHFHSA-N 2 1 379.548 3.634 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000616083470 878487087 /nfs/dbraw/zinc/48/70/87/878487087.db2.gz SXCZVUJRJBDMLS-IBGZPJMESA-N 2 1 392.563 3.554 20 0 GHADMP CC1(C)C[C@H](O)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](O)CC(C)(C)C3)c2)C1 ZINC000451810468 878500434 /nfs/dbraw/zinc/50/04/34/878500434.db2.gz NZYZOSBRXGDMDW-FGZHOGPDSA-N 2 1 388.596 3.652 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1cccc(C(F)(F)F)c1 ZINC000530826736 878598358 /nfs/dbraw/zinc/59/83/58/878598358.db2.gz GVMHJQSXHVEFHC-VQIMIIECSA-N 2 1 399.501 3.889 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC(=O)N([C@@H]4C[C@@H]4c4ccccc4)C3)CC2)C1 ZINC000537984787 878623486 /nfs/dbraw/zinc/62/34/86/878623486.db2.gz JEEJKBPICLYFAD-REXJZNOJSA-N 2 1 395.591 3.776 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177265462 878626957 /nfs/dbraw/zinc/62/69/57/878626957.db2.gz JRFUWWLWQPVLOK-NRFANRHFSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000177332903 878652552 /nfs/dbraw/zinc/65/25/52/878652552.db2.gz ZDEANEZJEBFCPR-LJQANCHMSA-N 2 1 398.595 3.530 20 0 GHADMP c1cc(C[NH+]2CCC[C@@]3(CCOC3)C2)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451899647 878665155 /nfs/dbraw/zinc/66/51/55/878665155.db2.gz KVZIMUACGGKGIJ-DNQXCXABSA-N 2 1 384.564 3.692 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000852976392 878704478 /nfs/dbraw/zinc/70/44/78/878704478.db2.gz VDGHXDKPUNFLSR-SFTDATJTSA-N 2 1 382.548 3.705 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177602011 878773646 /nfs/dbraw/zinc/77/36/46/878773646.db2.gz JJKKSYLUNVSUAN-HKUYNNGSSA-N 2 1 375.582 3.656 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000245940947 878783317 /nfs/dbraw/zinc/78/33/17/878783317.db2.gz JWYIZLRCAILTPF-XZOQPEGZSA-N 2 1 398.595 3.688 20 0 GHADMP Cc1ccc(C)c(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000530928218 878794372 /nfs/dbraw/zinc/79/43/72/878794372.db2.gz QCVNFWXEQIKUOL-UHFFFAOYSA-N 2 1 393.575 3.764 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C[C@H]2C1 ZINC000853093034 878809782 /nfs/dbraw/zinc/80/97/82/878809782.db2.gz ZTKYNRAESPPYMB-TUFLPTIASA-N 2 1 391.600 3.734 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccccc2F)C2CCCC2)CC1 ZINC000538101158 878810521 /nfs/dbraw/zinc/81/05/21/878810521.db2.gz QSDKKDCPPYSBKU-JOCHJYFZSA-N 2 1 375.532 3.589 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc(F)ccc1F ZINC000853120232 878827318 /nfs/dbraw/zinc/82/73/18/878827318.db2.gz HYWHULMRCOQYNT-GCJKJVERSA-N 2 1 386.486 3.890 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)C1CCCCC1 ZINC000246018882 878865634 /nfs/dbraw/zinc/86/56/34/878865634.db2.gz JODKQSKDGSSKKM-FGZHOGPDSA-N 2 1 392.609 3.897 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001183282656 912393485 /nfs/dbraw/zinc/39/34/85/912393485.db2.gz WEPFNOUEKDTGOD-ICSRJNTNSA-N 2 1 389.584 3.895 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246091529 878962577 /nfs/dbraw/zinc/96/25/77/878962577.db2.gz VFGLHSZFLFUZAY-RXVVDRJESA-N 2 1 390.572 3.601 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094716 878965199 /nfs/dbraw/zinc/96/51/99/878965199.db2.gz IVZWZICTCHWKIH-BWKNWUBXSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094716 878965212 /nfs/dbraw/zinc/96/52/12/878965212.db2.gz IVZWZICTCHWKIH-BWKNWUBXSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094716 878965217 /nfs/dbraw/zinc/96/52/17/878965217.db2.gz IVZWZICTCHWKIH-BWKNWUBXSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094716 878965229 /nfs/dbraw/zinc/96/52/29/878965229.db2.gz IVZWZICTCHWKIH-BWKNWUBXSA-N 2 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094716 878965240 /nfs/dbraw/zinc/96/52/40/878965240.db2.gz IVZWZICTCHWKIH-BWKNWUBXSA-N 2 1 396.623 3.666 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000246115878 879007262 /nfs/dbraw/zinc/00/72/62/879007262.db2.gz QEPNYCPUOWGWQT-DHIUTWEWSA-N 2 1 379.548 3.871 20 0 GHADMP C[NH+]1CCC(CCNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000531048390 879014385 /nfs/dbraw/zinc/01/43/85/879014385.db2.gz FOYBKNYHUBGQKU-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000531051560 879020753 /nfs/dbraw/zinc/02/07/53/879020753.db2.gz VHNJXXYMNGRLOL-QFBILLFUSA-N 2 1 399.501 3.935 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178156366 879022132 /nfs/dbraw/zinc/02/21/32/879022132.db2.gz IYBJCECGCGYKGO-QFIPXVFZSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178245919 879057843 /nfs/dbraw/zinc/05/78/43/879057843.db2.gz IBFVYMRJIIFREM-FPOVZHCZSA-N 2 1 383.580 3.983 20 0 GHADMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000531100174 879129073 /nfs/dbraw/zinc/12/90/73/879129073.db2.gz UHUOVLZDJLNSSS-QFIPXVFZSA-N 2 1 389.559 3.759 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000531100174 879129085 /nfs/dbraw/zinc/12/90/85/879129085.db2.gz UHUOVLZDJLNSSS-QFIPXVFZSA-N 2 1 389.559 3.759 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000531100174 879129095 /nfs/dbraw/zinc/12/90/95/879129095.db2.gz UHUOVLZDJLNSSS-QFIPXVFZSA-N 2 1 389.559 3.759 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000531100174 879129111 /nfs/dbraw/zinc/12/91/11/879129111.db2.gz UHUOVLZDJLNSSS-QFIPXVFZSA-N 2 1 389.559 3.759 20 0 GHADMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000180898440 879465965 /nfs/dbraw/zinc/46/59/65/879465965.db2.gz FLFTVOITXOBBKD-QFIPXVFZSA-N 2 1 392.465 3.608 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000246407555 879523090 /nfs/dbraw/zinc/52/30/90/879523090.db2.gz UNFJIJCHLYGUOJ-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000246407555 879523093 /nfs/dbraw/zinc/52/30/93/879523093.db2.gz UNFJIJCHLYGUOJ-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246407555 879523100 /nfs/dbraw/zinc/52/31/00/879523100.db2.gz UNFJIJCHLYGUOJ-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC)[C@@H](C)C1 ZINC000246452728 879575954 /nfs/dbraw/zinc/57/59/54/879575954.db2.gz PJFSMFLMLFEAAS-MAUKXSAKSA-N 2 1 399.373 3.684 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2OC)[C@@H](C)C1 ZINC000246452728 879575962 /nfs/dbraw/zinc/57/59/62/879575962.db2.gz PJFSMFLMLFEAAS-MAUKXSAKSA-N 2 1 399.373 3.684 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2)CC1 ZINC000493957796 879773804 /nfs/dbraw/zinc/77/38/04/879773804.db2.gz JGWPSAISNLAHFL-IFMALSPDSA-N 2 1 384.568 3.519 20 0 GHADMP CCOc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000246800046 879806495 /nfs/dbraw/zinc/80/64/95/879806495.db2.gz QSNYRAXSLHJGEZ-IRXDYDNUSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000246800046 879806516 /nfs/dbraw/zinc/80/65/16/879806516.db2.gz QSNYRAXSLHJGEZ-IRXDYDNUSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OCC(F)(F)F ZINC000246800046 879806531 /nfs/dbraw/zinc/80/65/31/879806531.db2.gz QSNYRAXSLHJGEZ-IRXDYDNUSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCC(F)(F)F ZINC000246800046 879806544 /nfs/dbraw/zinc/80/65/44/879806544.db2.gz QSNYRAXSLHJGEZ-IRXDYDNUSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OCC(F)(F)F ZINC000246800046 879806562 /nfs/dbraw/zinc/80/65/62/879806562.db2.gz QSNYRAXSLHJGEZ-IRXDYDNUSA-N 2 1 386.458 3.943 20 0 GHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140382 879813964 /nfs/dbraw/zinc/81/39/64/879813964.db2.gz XSBVHFDJMGIHRX-NZRJUOQRSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001170140382 879813982 /nfs/dbraw/zinc/81/39/82/879813982.db2.gz XSBVHFDJMGIHRX-NZRJUOQRSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCCO2 ZINC000246832115 879819467 /nfs/dbraw/zinc/81/94/67/879819467.db2.gz BSGJDJDWHIORKP-RTBURBONSA-N 2 1 396.531 3.919 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000246896737 879842618 /nfs/dbraw/zinc/84/26/18/879842618.db2.gz FRGKQOXPFXRQJD-RBUKOAKNSA-N 2 1 390.535 3.888 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247020624 879887985 /nfs/dbraw/zinc/88/79/85/879887985.db2.gz QICWIEOZPNPDHC-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247020624 879888003 /nfs/dbraw/zinc/88/80/03/879888003.db2.gz QICWIEOZPNPDHC-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247020624 879888023 /nfs/dbraw/zinc/88/80/23/879888023.db2.gz QICWIEOZPNPDHC-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247031116 879891176 /nfs/dbraw/zinc/89/11/76/879891176.db2.gz LHTPRAGWFVRTCI-GJYPPUQNSA-N 2 1 391.357 3.677 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247031116 879891196 /nfs/dbraw/zinc/89/11/96/879891196.db2.gz LHTPRAGWFVRTCI-GJYPPUQNSA-N 2 1 391.357 3.677 20 0 GHADMP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000247033894 879893079 /nfs/dbraw/zinc/89/30/79/879893079.db2.gz YMFODKNILRUSBT-LPHOPBHVSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000247033894 879893093 /nfs/dbraw/zinc/89/30/93/879893093.db2.gz YMFODKNILRUSBT-LPHOPBHVSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000247033894 879893098 /nfs/dbraw/zinc/89/30/98/879893098.db2.gz YMFODKNILRUSBT-LPHOPBHVSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000247033894 879893113 /nfs/dbraw/zinc/89/31/13/879893113.db2.gz YMFODKNILRUSBT-LPHOPBHVSA-N 2 1 386.927 3.881 20 0 GHADMP C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247059869 879903922 /nfs/dbraw/zinc/90/39/22/879903922.db2.gz ZRFUZNJENHLAMG-HYFFOGBASA-N 2 1 378.520 3.511 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000531482678 879926144 /nfs/dbraw/zinc/92/61/44/879926144.db2.gz XAGGFMIGCDLWDA-FNHZYXHNSA-N 2 1 397.485 3.830 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000531482678 879926155 /nfs/dbraw/zinc/92/61/55/879926155.db2.gz XAGGFMIGCDLWDA-FNHZYXHNSA-N 2 1 397.485 3.830 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247152928 879931943 /nfs/dbraw/zinc/93/19/43/879931943.db2.gz XFUDNRIIXRVLSA-MJGOQNOKSA-N 2 1 379.976 3.787 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000247349662 879977671 /nfs/dbraw/zinc/97/76/71/879977671.db2.gz OXNRBAOTQFWGBM-HKTJVKLFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000247349662 879977683 /nfs/dbraw/zinc/97/76/83/879977683.db2.gz OXNRBAOTQFWGBM-HKTJVKLFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000247349662 879977696 /nfs/dbraw/zinc/97/76/96/879977696.db2.gz OXNRBAOTQFWGBM-HKTJVKLFSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c2ccccc2)cc1 ZINC000247349662 879977713 /nfs/dbraw/zinc/97/77/13/879977713.db2.gz OXNRBAOTQFWGBM-HKTJVKLFSA-N 2 1 396.575 3.876 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)c1ccccc1 ZINC000247672232 880045816 /nfs/dbraw/zinc/04/58/16/880045816.db2.gz QFAGIVLMUVDIKQ-AVRDEDQJSA-N 2 1 381.520 3.711 20 0 GHADMP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247938620 880091310 /nfs/dbraw/zinc/09/13/10/880091310.db2.gz CUCFANPEVJUCLQ-GHTZIAJQSA-N 2 1 395.547 3.552 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000531723837 880382660 /nfs/dbraw/zinc/38/26/60/880382660.db2.gz JNIFJAFGZCRDFJ-UZLBHIALSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000531723837 880382668 /nfs/dbraw/zinc/38/26/68/880382668.db2.gz JNIFJAFGZCRDFJ-UZLBHIALSA-N 2 1 389.337 3.737 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3nnc4n3CCCCC4)[C@H]3CCC[C@H]32)cc1 ZINC000453059041 880410732 /nfs/dbraw/zinc/41/07/32/880410732.db2.gz AMQGNLMYDQPJED-BHIFYINESA-N 2 1 393.579 3.580 20 0 GHADMP CNC(=O)c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453077156 880428301 /nfs/dbraw/zinc/42/83/01/880428301.db2.gz WHXASPCAHSHNAU-ZRBLBEILSA-N 2 1 377.532 3.579 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453077156 880428306 /nfs/dbraw/zinc/42/83/06/880428306.db2.gz WHXASPCAHSHNAU-ZRBLBEILSA-N 2 1 377.532 3.579 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453077156 880428315 /nfs/dbraw/zinc/42/83/15/880428315.db2.gz WHXASPCAHSHNAU-ZRBLBEILSA-N 2 1 377.532 3.579 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC000453113108 880483330 /nfs/dbraw/zinc/48/33/30/880483330.db2.gz QPYCDKDNGJCCRY-NGQZJGFESA-N 2 1 378.516 3.784 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453115487 880484950 /nfs/dbraw/zinc/48/49/50/880484950.db2.gz GZSJTHOZEPRLTL-RBZQAINGSA-N 2 1 391.559 3.622 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453116340 880487773 /nfs/dbraw/zinc/48/77/73/880487773.db2.gz GZSJTHOZEPRLTL-SMIHKQSGSA-N 2 1 391.559 3.622 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)c2)CCO1 ZINC000237581092 880684562 /nfs/dbraw/zinc/68/45/62/880684562.db2.gz RODPLKBCBSDNHY-GOSISDBHSA-N 2 1 380.532 3.911 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)c2)CCO1 ZINC000237581092 880684567 /nfs/dbraw/zinc/68/45/67/880684567.db2.gz RODPLKBCBSDNHY-GOSISDBHSA-N 2 1 380.532 3.911 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000531932479 880783515 /nfs/dbraw/zinc/78/35/15/880783515.db2.gz NJRQHRCFDNBTLT-DYVFJYSZSA-N 2 1 383.483 3.805 20 0 GHADMP O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183570699 912629515 /nfs/dbraw/zinc/62/95/15/912629515.db2.gz ZGVLIAJCNSBKCN-OAQYLSRUSA-N 2 1 393.531 3.622 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2(N4CCOCC4)CCCCC2)C3)cc1 ZINC000499139304 881240767 /nfs/dbraw/zinc/24/07/67/881240767.db2.gz NSAJGUTWBVPZQD-JOZNFPNDSA-N 2 1 397.607 3.807 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000858496972 883151211 /nfs/dbraw/zinc/15/12/11/883151211.db2.gz WSWBLKHDPSOMRO-VILGAWFOSA-N 2 1 377.532 3.955 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000263216321 883207890 /nfs/dbraw/zinc/20/78/90/883207890.db2.gz KYVNUDIHBJLIDX-HXUWFJFHSA-N 2 1 377.960 3.591 20 0 GHADMP Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1Cl ZINC001211910509 883328961 /nfs/dbraw/zinc/32/89/61/883328961.db2.gz FIVQXIPHAANLTL-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1Cl ZINC001211910509 883328975 /nfs/dbraw/zinc/32/89/75/883328975.db2.gz FIVQXIPHAANLTL-SFHVURJKSA-N 2 1 394.906 3.887 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000061789570 883333295 /nfs/dbraw/zinc/33/32/95/883333295.db2.gz WUUPPXGRQHFIDS-NRFANRHFSA-N 2 1 398.576 3.660 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000551175045 883387042 /nfs/dbraw/zinc/38/70/42/883387042.db2.gz FRWUIOHVRFMQMW-RBUKOAKNSA-N 2 1 393.453 3.990 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1c1ccccc1 ZINC000551175045 883387063 /nfs/dbraw/zinc/38/70/63/883387063.db2.gz FRWUIOHVRFMQMW-RBUKOAKNSA-N 2 1 393.453 3.990 20 0 GHADMP Cc1cccc(-c2noc([C@]34C[N@@H+](Cc5ccccc5)C[C@H]3C[NH2+]CCC4)n2)c1 ZINC001212261363 883424280 /nfs/dbraw/zinc/42/42/80/883424280.db2.gz XFPOUDFPXKVRHM-ZJSXRUAMSA-N 2 1 388.515 3.798 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000551179267 883435093 /nfs/dbraw/zinc/43/50/93/883435093.db2.gz WNRBLSGBVZZVLM-FQEVSTJZSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000476978805 883517982 /nfs/dbraw/zinc/51/79/82/883517982.db2.gz CPTVWLPQDNGBFP-RBUKOAKNSA-N 2 1 389.559 3.979 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H]2CCCO[C@H]21 ZINC000551265610 883574756 /nfs/dbraw/zinc/57/47/56/883574756.db2.gz WPHNVXSYJXROGL-KAOXLYBCSA-N 2 1 398.591 3.708 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000455888840 883588524 /nfs/dbraw/zinc/58/85/24/883588524.db2.gz XZFALAOHQCAWON-UNMCSNQZSA-N 2 1 378.520 3.632 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477061628 883667363 /nfs/dbraw/zinc/66/73/63/883667363.db2.gz WZHMVXOFYRJBER-UHFFFAOYSA-N 2 1 397.588 3.938 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859362969 883776564 /nfs/dbraw/zinc/77/65/64/883776564.db2.gz CWUZNKLTAVBXQG-LJQANCHMSA-N 2 1 375.900 3.546 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859362969 883776569 /nfs/dbraw/zinc/77/65/69/883776569.db2.gz CWUZNKLTAVBXQG-LJQANCHMSA-N 2 1 375.900 3.546 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859362969 883776577 /nfs/dbraw/zinc/77/65/77/883776577.db2.gz CWUZNKLTAVBXQG-LJQANCHMSA-N 2 1 375.900 3.546 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(O)ccc3Cl)C2)ccn1 ZINC000859362969 883776589 /nfs/dbraw/zinc/77/65/89/883776589.db2.gz CWUZNKLTAVBXQG-LJQANCHMSA-N 2 1 375.900 3.546 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000194800087 883944791 /nfs/dbraw/zinc/94/47/91/883944791.db2.gz ZBCFYIGZOLDQHU-UHFFFAOYSA-N 2 1 377.532 3.675 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826525 884137960 /nfs/dbraw/zinc/13/79/60/884137960.db2.gz BTNVHGHRUOUTCZ-FQEVSTJZSA-N 2 1 376.545 3.885 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826525 884137966 /nfs/dbraw/zinc/13/79/66/884137966.db2.gz BTNVHGHRUOUTCZ-FQEVSTJZSA-N 2 1 376.545 3.885 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234423 884187910 /nfs/dbraw/zinc/18/79/10/884187910.db2.gz XHSWYPSASNELNG-YKSBVNFPSA-N 2 1 394.559 3.758 20 0 GHADMP C[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130109417 884190490 /nfs/dbraw/zinc/19/04/90/884190490.db2.gz HNBWBKAKDKOPIG-UHFFFAOYSA-N 2 1 397.473 3.894 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000116816377 884231479 /nfs/dbraw/zinc/23/14/79/884231479.db2.gz LIPICQMGKRWXBY-IBGZPJMESA-N 2 1 375.900 3.522 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000465460300 884306131 /nfs/dbraw/zinc/30/61/31/884306131.db2.gz WCSCJZJGUOCQPO-QFIPXVFZSA-N 2 1 388.600 3.659 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccccc1 ZINC000495045946 884448458 /nfs/dbraw/zinc/44/84/58/884448458.db2.gz NDMHEJCEDBOIFP-CBNMVNINSA-N 2 1 386.540 3.703 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCC(c2nc(C)no2)CC1)c1ccccc1 ZINC000495045946 884448466 /nfs/dbraw/zinc/44/84/66/884448466.db2.gz NDMHEJCEDBOIFP-CBNMVNINSA-N 2 1 386.540 3.703 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(CC)ccc23)[C@H](C)C1 ZINC000249419268 912825623 /nfs/dbraw/zinc/82/56/23/912825623.db2.gz HGMWAFFJJMMHGX-UTKZUKDTSA-N 2 1 386.536 3.582 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(CC)ccc23)[C@H](C)C1 ZINC000249419268 912825642 /nfs/dbraw/zinc/82/56/42/912825642.db2.gz HGMWAFFJJMMHGX-UTKZUKDTSA-N 2 1 386.536 3.582 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000648746258 884600887 /nfs/dbraw/zinc/60/08/87/884600887.db2.gz RCFJWJRFBAWBLS-CABCVRRESA-N 2 1 375.542 3.724 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000105464734 884788308 /nfs/dbraw/zinc/78/83/08/884788308.db2.gz BNONEOLBCLGAFO-MRXNPFEDSA-N 2 1 385.483 3.547 20 0 GHADMP Cc1c(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1Br ZINC000556415901 884859100 /nfs/dbraw/zinc/85/91/00/884859100.db2.gz TWPWAVFCUMUOJP-UHFFFAOYSA-N 2 1 388.147 3.872 20 0 GHADMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000498608730 885044033 /nfs/dbraw/zinc/04/40/33/885044033.db2.gz ZNJBADZVNGOCIX-CVDCTZTESA-N 2 1 398.595 3.746 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806931396 885097875 /nfs/dbraw/zinc/09/78/75/885097875.db2.gz LVXBKAFIWVCICD-UHFFFAOYSA-N 2 1 390.572 3.540 20 0 GHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC000508881078 885225535 /nfs/dbraw/zinc/22/55/35/885225535.db2.gz MXRVJCXGXLHNPU-XWSHUIEDSA-N 2 1 386.584 3.643 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001168193684 885291908 /nfs/dbraw/zinc/29/19/08/885291908.db2.gz QNJNSWQANOYCPN-WMZOPIPTSA-N 2 1 378.944 3.620 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001168193684 885291931 /nfs/dbraw/zinc/29/19/31/885291931.db2.gz QNJNSWQANOYCPN-WMZOPIPTSA-N 2 1 378.944 3.620 20 0 GHADMP C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498691527 885325634 /nfs/dbraw/zinc/32/56/34/885325634.db2.gz DIEARYKCJIFNCJ-MDNUFGMLSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CCCO2 ZINC000532442111 885455148 /nfs/dbraw/zinc/45/51/48/885455148.db2.gz LFSZWLFNMVHCEZ-VQTJNVASSA-N 2 1 385.577 3.849 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000532446478 885491249 /nfs/dbraw/zinc/49/12/49/885491249.db2.gz BBNXZINLFXSSQK-HXUWFJFHSA-N 2 1 381.564 3.992 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108428234 885728762 /nfs/dbraw/zinc/72/87/62/885728762.db2.gz RCRUSAVBDVHQIF-IBGZPJMESA-N 2 1 390.531 3.979 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4CCC[N@H+](C)C4)cc3)nc12 ZINC000108428319 885729658 /nfs/dbraw/zinc/72/96/58/885729658.db2.gz XRVVZADIJFMYOQ-FQEVSTJZSA-N 2 1 378.520 3.653 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000532538417 885936435 /nfs/dbraw/zinc/93/64/35/885936435.db2.gz UUBHSDAVLDUJDV-PKOBYXMFSA-N 2 1 377.598 3.852 20 0 GHADMP CN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000762321999 886029447 /nfs/dbraw/zinc/02/94/47/886029447.db2.gz YOHAGAKSYQWYQP-XPPIMPSXSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537605319 886037003 /nfs/dbraw/zinc/03/70/03/886037003.db2.gz WDGMGGGBRZTNOM-HKUYNNGSSA-N 2 1 399.502 3.533 20 0 GHADMP C[C@H](Nc1ncnc2c1cnn2-c1cc[nH+]cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537605319 886037011 /nfs/dbraw/zinc/03/70/11/886037011.db2.gz WDGMGGGBRZTNOM-HKUYNNGSSA-N 2 1 399.502 3.533 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001168314273 886066036 /nfs/dbraw/zinc/06/60/36/886066036.db2.gz ASCSBKPELSKACQ-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@@H+](C4CC4)C3)c2c1C ZINC000498911355 886104139 /nfs/dbraw/zinc/10/41/39/886104139.db2.gz PRPAYVHQFFNYOI-QGZVFWFLSA-N 2 1 385.581 3.577 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@H+](C4CC4)C3)c2c1C ZINC000498911355 886104141 /nfs/dbraw/zinc/10/41/41/886104141.db2.gz PRPAYVHQFFNYOI-QGZVFWFLSA-N 2 1 385.581 3.577 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000862248036 886249750 /nfs/dbraw/zinc/24/97/50/886249750.db2.gz PYVQXICKXRWOJR-IAGOWNOFSA-N 2 1 387.515 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000862248036 886249766 /nfs/dbraw/zinc/24/97/66/886249766.db2.gz PYVQXICKXRWOJR-IAGOWNOFSA-N 2 1 387.515 3.581 20 0 GHADMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001131248889 886264440 /nfs/dbraw/zinc/26/44/40/886264440.db2.gz NSGMZTCRTMAWAL-OFNKIYASSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001131248889 886264460 /nfs/dbraw/zinc/26/44/60/886264460.db2.gz NSGMZTCRTMAWAL-OFNKIYASSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001131248889 886264467 /nfs/dbraw/zinc/26/44/67/886264467.db2.gz NSGMZTCRTMAWAL-OFNKIYASSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001131248889 886264489 /nfs/dbraw/zinc/26/44/89/886264489.db2.gz NSGMZTCRTMAWAL-OFNKIYASSA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000762502805 886299037 /nfs/dbraw/zinc/29/90/37/886299037.db2.gz PQTSYJZMTQXKJE-QFIPXVFZSA-N 2 1 383.580 3.827 20 0 GHADMP CC(C)C[C@H]1CC(=O)N(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000762502805 886299059 /nfs/dbraw/zinc/29/90/59/886299059.db2.gz PQTSYJZMTQXKJE-QFIPXVFZSA-N 2 1 383.580 3.827 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000118950878 886358805 /nfs/dbraw/zinc/35/88/05/886358805.db2.gz GCIVPBCNHBFCQN-JOCHJYFZSA-N 2 1 386.584 3.688 20 0 GHADMP Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000118970306 886373557 /nfs/dbraw/zinc/37/35/57/886373557.db2.gz PEYIAFSRAXGNST-NOZRDPDXSA-N 2 1 396.575 3.924 20 0 GHADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193533861 886608267 /nfs/dbraw/zinc/60/82/67/886608267.db2.gz OOWCRUMYFUQPLS-SFHVURJKSA-N 2 1 383.511 3.731 20 0 GHADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193533861 886608274 /nfs/dbraw/zinc/60/82/74/886608274.db2.gz OOWCRUMYFUQPLS-SFHVURJKSA-N 2 1 383.511 3.731 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124622 886912728 /nfs/dbraw/zinc/91/27/28/886912728.db2.gz PCLIJBVQCAQLNL-IMFGXOCKSA-N 2 1 397.485 3.737 20 0 GHADMP COC(=O)CC1CCC(Nc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)CC1 ZINC001184364702 913148705 /nfs/dbraw/zinc/14/87/05/913148705.db2.gz XEEAJWADWFAALF-UHFFFAOYSA-N 2 1 396.535 3.520 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000454267330 887907089 /nfs/dbraw/zinc/90/70/89/887907089.db2.gz OKXRASAXEMBNBA-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454267330 887907115 /nfs/dbraw/zinc/90/71/15/887907115.db2.gz OKXRASAXEMBNBA-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454267330 887907130 /nfs/dbraw/zinc/90/71/30/887907130.db2.gz OKXRASAXEMBNBA-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000454267332 887909458 /nfs/dbraw/zinc/90/94/58/887909458.db2.gz OKXRASAXEMBNBA-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454267332 887909459 /nfs/dbraw/zinc/90/94/59/887909459.db2.gz OKXRASAXEMBNBA-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454267332 887909461 /nfs/dbraw/zinc/90/94/61/887909461.db2.gz OKXRASAXEMBNBA-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP COC(=O)Cc1cc(NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc[nH+]1 ZINC001170590887 888027963 /nfs/dbraw/zinc/02/79/63/888027963.db2.gz ZSFJWKKCQRBYFG-QGZVFWFLSA-N 2 1 382.291 3.819 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184406465 913205647 /nfs/dbraw/zinc/20/56/47/913205647.db2.gz ZJIQMQRPLSSKKH-IBGZPJMESA-N 2 1 391.987 3.981 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000287277424 913231022 /nfs/dbraw/zinc/23/10/22/913231022.db2.gz YULXWJRYGBAKDW-ZYGDZFMBSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287277424 913231036 /nfs/dbraw/zinc/23/10/36/913231036.db2.gz YULXWJRYGBAKDW-ZYGDZFMBSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287277424 913231052 /nfs/dbraw/zinc/23/10/52/913231052.db2.gz YULXWJRYGBAKDW-ZYGDZFMBSA-N 2 1 398.595 3.828 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000056040094 888356013 /nfs/dbraw/zinc/35/60/13/888356013.db2.gz ADVRFEAQCPWHFD-UHFFFAOYSA-N 2 1 395.547 3.655 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc(Br)c1O ZINC000459376839 888409060 /nfs/dbraw/zinc/40/90/60/888409060.db2.gz NVHWURJYNPTBNE-DZGCQCFKSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc(Br)c1O ZINC000459376839 888409063 /nfs/dbraw/zinc/40/90/63/888409063.db2.gz NVHWURJYNPTBNE-DZGCQCFKSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc(Br)c1O ZINC000459376839 888409068 /nfs/dbraw/zinc/40/90/68/888409068.db2.gz NVHWURJYNPTBNE-DZGCQCFKSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc(Br)c1O ZINC000459376839 888409072 /nfs/dbraw/zinc/40/90/72/888409072.db2.gz NVHWURJYNPTBNE-DZGCQCFKSA-N 2 1 385.346 3.858 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCN(Cc4ccccn4)CC2)C3)cc1 ZINC000245653584 889169744 /nfs/dbraw/zinc/16/97/44/889169744.db2.gz DCLMLNZQCGWGCX-QEIWAGNOSA-N 2 1 390.575 3.831 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000245656550 889175266 /nfs/dbraw/zinc/17/52/66/889175266.db2.gz FBKITWLACOWHBB-AUSIDOKSSA-N 2 1 396.604 3.953 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245663250 889239910 /nfs/dbraw/zinc/23/99/10/889239910.db2.gz GFEJMHZZFPTXJY-VLVHOKLOSA-N 2 1 396.531 3.522 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCCC[C@H]1C ZINC000465530482 889256348 /nfs/dbraw/zinc/25/63/48/889256348.db2.gz NZCOONKHZBVIEG-XSYGEPLQSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000465530482 889256357 /nfs/dbraw/zinc/25/63/57/889256357.db2.gz NZCOONKHZBVIEG-XSYGEPLQSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@H+]1CCCC[C@H]1C ZINC000465530482 889256365 /nfs/dbraw/zinc/25/63/65/889256365.db2.gz NZCOONKHZBVIEG-XSYGEPLQSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCCC[C@H]1C ZINC000465530480 889256628 /nfs/dbraw/zinc/25/66/28/889256628.db2.gz NZCOONKHZBVIEG-MLYOOKFZSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000465530480 889256646 /nfs/dbraw/zinc/25/66/46/889256646.db2.gz NZCOONKHZBVIEG-MLYOOKFZSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@H+]1CCCC[C@H]1C ZINC000465530480 889256662 /nfs/dbraw/zinc/25/66/62/889256662.db2.gz NZCOONKHZBVIEG-MLYOOKFZSA-N 2 1 392.613 3.693 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2nc(C)cc2C)[C@H](C)C1 ZINC000123522362 889318729 /nfs/dbraw/zinc/31/87/29/889318729.db2.gz PGUVWGUREGVMDC-GCJKJVERSA-N 2 1 384.568 3.716 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000454734561 889645487 /nfs/dbraw/zinc/64/54/87/889645487.db2.gz LWCYPDKWNPDETO-UXHICEINSA-N 2 1 392.975 3.651 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000454734561 889645501 /nfs/dbraw/zinc/64/55/01/889645501.db2.gz LWCYPDKWNPDETO-UXHICEINSA-N 2 1 392.975 3.651 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)C2 ZINC001168516713 889677323 /nfs/dbraw/zinc/67/73/23/889677323.db2.gz ARRQCBRTPXXMFS-QMHWVQJVSA-N 2 1 391.478 3.532 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795046964 889683372 /nfs/dbraw/zinc/68/33/72/889683372.db2.gz XHEHMHOMFZYKIP-VXKWHMMOSA-N 2 1 396.535 3.609 20 0 GHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644580514 913378837 /nfs/dbraw/zinc/37/88/37/913378837.db2.gz NHTCFKMWXCKWPS-HJOGWXRNSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644580514 913378850 /nfs/dbraw/zinc/37/88/50/913378850.db2.gz NHTCFKMWXCKWPS-HJOGWXRNSA-N 2 1 382.548 3.545 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454918389 889989061 /nfs/dbraw/zinc/98/90/61/889989061.db2.gz JPGIQUFPGJXUMU-QFIPXVFZSA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000917008529 890735487 /nfs/dbraw/zinc/73/54/87/890735487.db2.gz LVYVWBOXKLDBMA-JPYJTQIMSA-N 2 1 398.547 3.759 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1C(F)(F)F ZINC001133442119 890960885 /nfs/dbraw/zinc/96/08/85/890960885.db2.gz VOLGDNMSZSQKCL-UHFFFAOYSA-N 2 1 389.381 3.600 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000455448573 890975714 /nfs/dbraw/zinc/97/57/14/890975714.db2.gz PZZMGVLNNRKHAQ-BRTIRZTQSA-N 2 1 398.595 3.876 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000455448573 890975719 /nfs/dbraw/zinc/97/57/19/890975719.db2.gz PZZMGVLNNRKHAQ-BRTIRZTQSA-N 2 1 398.595 3.876 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000455448573 890975732 /nfs/dbraw/zinc/97/57/32/890975732.db2.gz PZZMGVLNNRKHAQ-BRTIRZTQSA-N 2 1 398.595 3.876 20 0 GHADMP CC(C)(C)n1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(-c2ccccc2Cl)n1 ZINC000066586977 890995708 /nfs/dbraw/zinc/99/57/08/890995708.db2.gz DAQXUUKYMNAYSW-QGZVFWFLSA-N 2 1 390.959 3.505 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000497354329 891125708 /nfs/dbraw/zinc/12/57/08/891125708.db2.gz FNMYWYGTYURBGM-HXUWFJFHSA-N 2 1 386.584 3.594 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695384 891216616 /nfs/dbraw/zinc/21/66/16/891216616.db2.gz AOBIDAOYQCCJSD-JXHRLWIKSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695384 891216630 /nfs/dbraw/zinc/21/66/30/891216630.db2.gz AOBIDAOYQCCJSD-JXHRLWIKSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170695384 891216647 /nfs/dbraw/zinc/21/66/47/891216647.db2.gz AOBIDAOYQCCJSD-JXHRLWIKSA-N 2 1 390.518 3.502 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)cc1 ZINC000247116809 891370499 /nfs/dbraw/zinc/37/04/99/891370499.db2.gz MBNHIJCOVBIDJW-PGRDOPGGSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000247116809 891370506 /nfs/dbraw/zinc/37/05/06/891370506.db2.gz MBNHIJCOVBIDJW-PGRDOPGGSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000247116809 891370521 /nfs/dbraw/zinc/37/05/21/891370521.db2.gz MBNHIJCOVBIDJW-PGRDOPGGSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000247969262 891404000 /nfs/dbraw/zinc/40/40/00/891404000.db2.gz ITJGTTBMFQSZJI-FGCOXFRFSA-N 2 1 378.564 3.719 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000247969262 891404015 /nfs/dbraw/zinc/40/40/15/891404015.db2.gz ITJGTTBMFQSZJI-FGCOXFRFSA-N 2 1 378.564 3.719 20 0 GHADMP CCCO[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](OCCC)CC3)COC2)CC1 ZINC000248419533 891434500 /nfs/dbraw/zinc/43/45/00/891434500.db2.gz LDCLXIBWZUUFEU-FGZHOGPDSA-N 2 1 396.616 3.565 20 0 GHADMP C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000497416221 891533379 /nfs/dbraw/zinc/53/33/79/891533379.db2.gz JQJYZIKZXGJVGA-GOTSBHOMSA-N 2 1 377.532 3.500 20 0 GHADMP C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000497416223 891534836 /nfs/dbraw/zinc/53/48/36/891534836.db2.gz JQJYZIKZXGJVGA-PKTZIBPZSA-N 2 1 377.532 3.500 20 0 GHADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000571825499 891591090 /nfs/dbraw/zinc/59/10/90/891591090.db2.gz RPOSXROKBSBMOG-CWKRKGSWSA-N 2 1 398.591 3.708 20 0 GHADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497526478 891792605 /nfs/dbraw/zinc/79/26/05/891792605.db2.gz WMEOPMKSNZFNDM-KURKYZTESA-N 2 1 376.541 3.506 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475999185 891994407 /nfs/dbraw/zinc/99/44/07/891994407.db2.gz BOSBAISTDSEAGC-FQEVSTJZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475999185 891994419 /nfs/dbraw/zinc/99/44/19/891994419.db2.gz BOSBAISTDSEAGC-FQEVSTJZSA-N 2 1 398.595 3.699 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261911124 892163092 /nfs/dbraw/zinc/16/30/92/892163092.db2.gz XOVFTSVCMHBSHE-XMMPIXPASA-N 2 1 390.531 3.778 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262204664 892253292 /nfs/dbraw/zinc/25/32/92/892253292.db2.gz DJUNNTAJHNXHHY-QHJRAYEYSA-N 2 1 383.580 3.688 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000128716782 892323333 /nfs/dbraw/zinc/32/33/33/892323333.db2.gz NMFSITGBTAYJKV-IBGZPJMESA-N 2 1 390.572 3.540 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000508679993 892387157 /nfs/dbraw/zinc/38/71/57/892387157.db2.gz NWHCGPCJVNTZFF-UHFFFAOYSA-N 2 1 379.548 3.908 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000508679993 892387175 /nfs/dbraw/zinc/38/71/75/892387175.db2.gz NWHCGPCJVNTZFF-UHFFFAOYSA-N 2 1 379.548 3.908 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000508679993 892387194 /nfs/dbraw/zinc/38/71/94/892387194.db2.gz NWHCGPCJVNTZFF-UHFFFAOYSA-N 2 1 379.548 3.908 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000508679993 892387211 /nfs/dbraw/zinc/38/72/11/892387211.db2.gz NWHCGPCJVNTZFF-UHFFFAOYSA-N 2 1 379.548 3.908 20 0 GHADMP COCCC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000282055394 892552732 /nfs/dbraw/zinc/55/27/32/892552732.db2.gz VTONJSDRRNQVBF-HSZRJFAPSA-N 2 1 386.511 3.915 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)nnn1-c1ccc(F)cc1 ZINC000162570534 892748227 /nfs/dbraw/zinc/74/82/27/892748227.db2.gz IBTUBRVYUWZKDR-INIZCTEOSA-N 2 1 397.498 3.506 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000162566587 892757716 /nfs/dbraw/zinc/75/77/16/892757716.db2.gz LDEIXPZABZVMLJ-GOSISDBHSA-N 3 1 378.520 3.972 20 0 GHADMP C[C@@H](NCc1cccnc1OCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714348 892791760 /nfs/dbraw/zinc/79/17/60/892791760.db2.gz HABRJOQURQJYNU-APWZRJJASA-N 2 1 375.463 3.726 20 0 GHADMP C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714348 892791774 /nfs/dbraw/zinc/79/17/74/892791774.db2.gz HABRJOQURQJYNU-APWZRJJASA-N 2 1 375.463 3.726 20 0 GHADMP C[C@@H]([NH2+]Cc1cccnc1OCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714348 892791793 /nfs/dbraw/zinc/79/17/93/892791793.db2.gz HABRJOQURQJYNU-APWZRJJASA-N 2 1 375.463 3.726 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717095 892834709 /nfs/dbraw/zinc/83/47/09/892834709.db2.gz ZOCJZFJFLJUNPQ-NFBKMPQASA-N 3 1 378.564 3.798 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000508717095 892834724 /nfs/dbraw/zinc/83/47/24/892834724.db2.gz ZOCJZFJFLJUNPQ-NFBKMPQASA-N 2 1 378.564 3.798 20 0 GHADMP C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721213 892969658 /nfs/dbraw/zinc/96/96/58/892969658.db2.gz ULXSDISZBYXZNN-URXFXBBRSA-N 2 1 388.559 3.974 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000498009706 892984655 /nfs/dbraw/zinc/98/46/55/892984655.db2.gz CJISDJTUZWPXOX-MSOLQXFVSA-N 2 1 385.474 3.563 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000918122450 893202117 /nfs/dbraw/zinc/20/21/17/893202117.db2.gz RPUVXHUTYMAUQG-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP O=C(/C=C/[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000876889198 893374177 /nfs/dbraw/zinc/37/41/77/893374177.db2.gz LDVZFXWZZOUWPN-NHZBNJEXSA-N 2 1 396.362 3.630 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934380 893439936 /nfs/dbraw/zinc/43/99/36/893439936.db2.gz HYFSCTQJNDNTEM-LAUBAEHRSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934380 893439944 /nfs/dbraw/zinc/43/99/44/893439944.db2.gz HYFSCTQJNDNTEM-LAUBAEHRSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934380 893439952 /nfs/dbraw/zinc/43/99/52/893439952.db2.gz HYFSCTQJNDNTEM-LAUBAEHRSA-N 2 1 387.568 3.752 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000825934380 893439963 /nfs/dbraw/zinc/43/99/63/893439963.db2.gz HYFSCTQJNDNTEM-LAUBAEHRSA-N 2 1 387.568 3.752 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCCC1)CC2 ZINC000563243474 893521397 /nfs/dbraw/zinc/52/13/97/893521397.db2.gz QURVGKYAAWSWJX-FXAWDEMLSA-N 2 1 380.536 3.534 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N([C@H](C)c3ccccc3)C3CC3)CC2)CC1 ZINC000563372829 893673933 /nfs/dbraw/zinc/67/39/33/893673933.db2.gz CVRQYZVMDIPVMK-LJQANCHMSA-N 2 1 383.580 3.935 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000556092910 893703375 /nfs/dbraw/zinc/70/33/75/893703375.db2.gz GBIZAOPOAAXGCP-ZEQRLZLVSA-N 2 1 391.559 3.964 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000556092910 893703381 /nfs/dbraw/zinc/70/33/81/893703381.db2.gz GBIZAOPOAAXGCP-ZEQRLZLVSA-N 2 1 391.559 3.964 20 0 GHADMP COC(=O)c1nc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000877624662 893726681 /nfs/dbraw/zinc/72/66/81/893726681.db2.gz GTNYLPDRAYHSTG-OXJNMPFZSA-N 2 1 399.922 3.979 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000877624662 893726690 /nfs/dbraw/zinc/72/66/90/893726690.db2.gz GTNYLPDRAYHSTG-OXJNMPFZSA-N 2 1 399.922 3.979 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000563500611 893832250 /nfs/dbraw/zinc/83/22/50/893832250.db2.gz SAFLLFPNHBDONC-CYGODWOOSA-N 2 1 392.547 3.610 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccccn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000536832106 893944098 /nfs/dbraw/zinc/94/40/98/893944098.db2.gz JQGDTCUTMOERDE-FYYLOGMGSA-N 2 1 392.591 3.936 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H](C)C1 ZINC000536875772 893987144 /nfs/dbraw/zinc/98/71/44/893987144.db2.gz IGYLLCQEKYRQNQ-APWZRJJASA-N 2 1 399.373 3.555 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536877265 893996013 /nfs/dbraw/zinc/99/60/13/893996013.db2.gz QADGBPMNBPAZNY-UWJYYQICSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536877265 893996024 /nfs/dbraw/zinc/99/60/24/893996024.db2.gz QADGBPMNBPAZNY-UWJYYQICSA-N 2 1 385.939 3.570 20 0 GHADMP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000815578373 894015253 /nfs/dbraw/zinc/01/52/53/894015253.db2.gz NCAKFSQXAVWJSS-XLIONFOSSA-N 2 1 383.511 3.682 20 0 GHADMP Brc1cc2c(s1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000815579408 894019261 /nfs/dbraw/zinc/01/92/61/894019261.db2.gz MOHVBESAEOKVJH-UKRRQHHQSA-N 2 1 385.371 3.731 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000459774040 894175703 /nfs/dbraw/zinc/17/57/03/894175703.db2.gz VFLHJSNJHOFBIL-LADGPHEKSA-N 2 1 385.596 3.590 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@H+](C)C(C)C)cc1)C[C@H]1CCCCO1 ZINC000537120371 894341655 /nfs/dbraw/zinc/34/16/55/894341655.db2.gz KUEBRKYAEOHXTF-OAQYLSRUSA-N 2 1 375.557 3.745 20 0 GHADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000537120371 894341670 /nfs/dbraw/zinc/34/16/70/894341670.db2.gz KUEBRKYAEOHXTF-OAQYLSRUSA-N 2 1 375.557 3.745 20 0 GHADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000537120371 894341682 /nfs/dbraw/zinc/34/16/82/894341682.db2.gz KUEBRKYAEOHXTF-OAQYLSRUSA-N 2 1 375.557 3.745 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c2cccs2)CC1 ZINC001135475396 894627488 /nfs/dbraw/zinc/62/74/88/894627488.db2.gz ZFSSROCBKXSMCC-GBESFXJTSA-N 2 1 375.582 3.654 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000564189642 894702226 /nfs/dbraw/zinc/70/22/26/894702226.db2.gz ZWOREEJYGWTARO-IERDGZPVSA-N 2 1 395.551 3.661 20 0 GHADMP C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537289672 894711883 /nfs/dbraw/zinc/71/18/83/894711883.db2.gz HYAOKTUFPDHJCH-TZYHBYERSA-N 2 1 377.532 3.507 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cccc4nccn43)cc2)C[C@H]1C ZINC000537351811 894820055 /nfs/dbraw/zinc/82/00/55/894820055.db2.gz JKEABLFNZMWZKM-BGYRXZFFSA-N 2 1 392.547 3.633 20 0 GHADMP Cn1c2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2oc1=O ZINC000816567904 894949137 /nfs/dbraw/zinc/94/91/37/894949137.db2.gz OZBMVNNLNMDZQX-QHAWAJNXSA-N 2 1 391.515 3.522 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1OC ZINC000564451705 894998852 /nfs/dbraw/zinc/99/88/52/894998852.db2.gz YVPPHPGDYHBROM-FQEVSTJZSA-N 2 1 394.515 3.769 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1OC ZINC000564451705 894998862 /nfs/dbraw/zinc/99/88/62/894998862.db2.gz YVPPHPGDYHBROM-FQEVSTJZSA-N 2 1 394.515 3.769 20 0 GHADMP CN(C)c1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000564589514 895103525 /nfs/dbraw/zinc/10/35/25/895103525.db2.gz VTJUIFQPHVFUJT-QHCPKHFHSA-N 2 1 393.575 3.771 20 0 GHADMP C[C@H](NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564641880 895152393 /nfs/dbraw/zinc/15/23/93/895152393.db2.gz MEZSZKQVRIHZSQ-ZFWWWQNUSA-N 2 1 398.473 3.939 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879616834 895179770 /nfs/dbraw/zinc/17/97/70/895179770.db2.gz WZDJMODAURRJOT-UHFFFAOYSA-N 2 1 390.597 3.795 20 0 GHADMP C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000565044989 895366734 /nfs/dbraw/zinc/36/67/34/895366734.db2.gz VKNCTAOYQSEHJU-INIZCTEOSA-N 2 1 398.938 3.585 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C(C)C)c4ccccc43)CC2)CC1 ZINC000565200899 895458361 /nfs/dbraw/zinc/45/83/61/895458361.db2.gz ZDWUSKYSELCCFO-QFIPXVFZSA-N 2 1 383.580 3.969 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000565835670 895920837 /nfs/dbraw/zinc/92/08/37/895920837.db2.gz HKIJUNQJHIWYMH-TZYHBYERSA-N 2 1 394.563 3.539 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000565835670 895920846 /nfs/dbraw/zinc/92/08/46/895920846.db2.gz HKIJUNQJHIWYMH-TZYHBYERSA-N 2 1 394.563 3.539 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000566230621 896192559 /nfs/dbraw/zinc/19/25/59/896192559.db2.gz NTRVBYREFZLGPE-WIYYLYMNSA-N 2 1 390.531 3.776 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000818959479 896295965 /nfs/dbraw/zinc/29/59/65/896295965.db2.gz LKHFXRWKGCLNIN-JPYJTQIMSA-N 2 1 398.547 3.759 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818985144 896303952 /nfs/dbraw/zinc/30/39/52/896303952.db2.gz PDHDZTJTYONMQZ-RDTXWAMCSA-N 2 1 387.337 3.506 20 0 GHADMP CCNc1ccc(Cl)cc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000566451356 896320725 /nfs/dbraw/zinc/32/07/25/896320725.db2.gz RUFWHRQUSVUKJJ-UHFFFAOYSA-N 2 1 392.975 3.907 20 0 GHADMP Brc1ccc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCOCC4)CC3)c2c1 ZINC000566484568 896335408 /nfs/dbraw/zinc/33/54/08/896335408.db2.gz UNTRTBRYYHEZEO-MRXNPFEDSA-N 2 1 390.325 3.688 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645819 896449315 /nfs/dbraw/zinc/44/93/15/896449315.db2.gz ATVPCWPKEPMFEY-MOPGFXCFSA-N 2 1 391.625 3.990 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778552863 896567947 /nfs/dbraw/zinc/56/79/47/896567947.db2.gz KSVPWXAOZKKVCN-LRXVAGHRSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778552863 896567960 /nfs/dbraw/zinc/56/79/60/896567960.db2.gz KSVPWXAOZKKVCN-LRXVAGHRSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)C[C@H](C)O1 ZINC000796278510 914096958 /nfs/dbraw/zinc/09/69/58/914096958.db2.gz BFYCOWNFZATXNT-OKILXGFUSA-N 2 1 385.339 3.620 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239668 896997471 /nfs/dbraw/zinc/99/74/71/896997471.db2.gz XUUYVOHZVKCJID-GOSISDBHSA-N 2 1 386.565 3.542 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239668 896997480 /nfs/dbraw/zinc/99/74/80/896997480.db2.gz XUUYVOHZVKCJID-GOSISDBHSA-N 2 1 386.565 3.542 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3ccc(C)cn3)C2)s1 ZINC000567239668 896997488 /nfs/dbraw/zinc/99/74/88/896997488.db2.gz XUUYVOHZVKCJID-GOSISDBHSA-N 2 1 386.565 3.542 20 0 GHADMP C[NH+](C)CC1(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCC1 ZINC000567417161 897137830 /nfs/dbraw/zinc/13/78/30/897137830.db2.gz YCKMQPXZBWIKLM-HSZRJFAPSA-N 2 1 383.580 3.623 20 0 GHADMP COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000130968184 897276886 /nfs/dbraw/zinc/27/68/86/897276886.db2.gz JERWUDGJJNOFKG-NYHFZMIOSA-N 2 1 381.476 3.582 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883216312 897379460 /nfs/dbraw/zinc/37/94/60/897379460.db2.gz OFVGUYGRWFYKFU-BJKOFHAPSA-N 2 1 398.522 3.650 20 0 GHADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1)c1ccncc1 ZINC000820807972 897536244 /nfs/dbraw/zinc/53/62/44/897536244.db2.gz VEUKULXSEZZOJK-XDNSSPFJSA-N 2 1 376.504 3.581 20 0 GHADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1)c1ccncc1 ZINC000820807972 897536253 /nfs/dbraw/zinc/53/62/53/897536253.db2.gz VEUKULXSEZZOJK-XDNSSPFJSA-N 2 1 376.504 3.581 20 0 GHADMP CC(C)c1sc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)nc1-c1ccccc1 ZINC000568392502 897803212 /nfs/dbraw/zinc/80/32/12/897803212.db2.gz FFGMVEFMQGQGCK-HNNXBMFYSA-N 2 1 386.565 3.931 20 0 GHADMP O=C(NC1CCCCC1)N1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000568856430 898169897 /nfs/dbraw/zinc/16/98/97/898169897.db2.gz AHAVHGZUUYIJLW-VXKWHMMOSA-N 2 1 384.568 3.576 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000569293868 898514386 /nfs/dbraw/zinc/51/43/86/898514386.db2.gz YQZKCKSIEMBRQY-IBGZPJMESA-N 2 1 382.504 3.816 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000569293868 898514394 /nfs/dbraw/zinc/51/43/94/898514394.db2.gz YQZKCKSIEMBRQY-IBGZPJMESA-N 2 1 382.504 3.816 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485816 898705355 /nfs/dbraw/zinc/70/53/55/898705355.db2.gz PIAWOYODVHTWPF-QLBJFCOMSA-N 2 1 399.623 3.768 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485816 898705362 /nfs/dbraw/zinc/70/53/62/898705362.db2.gz PIAWOYODVHTWPF-QLBJFCOMSA-N 3 1 399.623 3.768 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485816 898705371 /nfs/dbraw/zinc/70/53/71/898705371.db2.gz PIAWOYODVHTWPF-QLBJFCOMSA-N 3 1 399.623 3.768 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000570247148 899219398 /nfs/dbraw/zinc/21/93/98/899219398.db2.gz GEFQQLPXWMJWCW-PKTZIBPZSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000570247148 899219415 /nfs/dbraw/zinc/21/94/15/899219415.db2.gz GEFQQLPXWMJWCW-PKTZIBPZSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000570247148 899219427 /nfs/dbraw/zinc/21/94/27/899219427.db2.gz GEFQQLPXWMJWCW-PKTZIBPZSA-N 2 1 397.607 3.725 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000570281040 899240936 /nfs/dbraw/zinc/24/09/36/899240936.db2.gz RUTVZJXFAGUFTJ-JMGFVUJMSA-N 2 1 380.414 3.876 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000570281040 899240944 /nfs/dbraw/zinc/24/09/44/899240944.db2.gz RUTVZJXFAGUFTJ-JMGFVUJMSA-N 2 1 380.414 3.876 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc([C@@H]3C[NH+]4CCC[C@@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365601 899283929 /nfs/dbraw/zinc/28/39/29/899283929.db2.gz MUUMUPIFEGUFKN-UGKGYDQZSA-N 2 1 382.508 3.647 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365601 899283944 /nfs/dbraw/zinc/28/39/44/899283944.db2.gz MUUMUPIFEGUFKN-UGKGYDQZSA-N 2 1 382.508 3.647 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1)C1CC1 ZINC000570365601 899283955 /nfs/dbraw/zinc/28/39/55/899283955.db2.gz MUUMUPIFEGUFKN-UGKGYDQZSA-N 2 1 382.508 3.647 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000824142137 899407898 /nfs/dbraw/zinc/40/78/98/899407898.db2.gz KEPOORIKEWSCKU-LJQANCHMSA-N 2 1 393.531 3.828 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000646249237 914353746 /nfs/dbraw/zinc/35/37/46/914353746.db2.gz VLMYZRPIZGZOHY-ZMUKGBGYSA-N 2 1 391.559 3.836 20 0 GHADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(-c2nn[nH]n2)c1 ZINC000824537200 899671789 /nfs/dbraw/zinc/67/17/89/899671789.db2.gz CFYZQUJUOUAKRM-FOUBCARRSA-N 2 1 390.535 3.674 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000824644990 899735811 /nfs/dbraw/zinc/73/58/11/899735811.db2.gz VXWRKMOMMTZHBZ-DLBZAZTESA-N 2 1 393.547 3.724 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824625725 899747787 /nfs/dbraw/zinc/74/77/87/899747787.db2.gz JHSPTFWRBXTRES-OAHLLOKOSA-N 2 1 382.487 3.697 20 0 GHADMP FC(F)COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001136935869 899809585 /nfs/dbraw/zinc/80/95/85/899809585.db2.gz XELODJNYPILNAS-IAGOWNOFSA-N 2 1 378.488 3.956 20 0 GHADMP CC(C)[C@H](CC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)NC(=O)OC(C)(C)C ZINC000824913400 899875699 /nfs/dbraw/zinc/87/56/99/899875699.db2.gz ROPSHTQXRBXOHM-IBGZPJMESA-N 2 1 387.528 3.639 20 0 GHADMP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001171074924 900017746 /nfs/dbraw/zinc/01/77/46/900017746.db2.gz VTLBUXJVTKGDIT-OAHLLOKOSA-N 2 1 385.335 3.597 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)c(Br)c2)CC1 ZINC000572144505 900077740 /nfs/dbraw/zinc/07/77/40/900077740.db2.gz WYUVZKYURUWXDA-UHFFFAOYSA-N 2 1 399.373 3.781 20 0 GHADMP c1cc2c(nc[nH+]c2N[C@@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000884592935 900187547 /nfs/dbraw/zinc/18/75/47/900187547.db2.gz ZESSKURAVVYVJV-GOSISDBHSA-N 2 1 377.492 3.584 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(OC)c1OCC(F)F ZINC000289908925 914418933 /nfs/dbraw/zinc/41/89/33/914418933.db2.gz YWJIRFACKRYUHU-UHFFFAOYSA-N 2 1 386.483 3.700 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000573221198 900419390 /nfs/dbraw/zinc/41/93/90/900419390.db2.gz JXLDKVCADZYERJ-OAHLLOKOSA-N 2 1 375.476 3.709 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CCCCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000573415072 900505673 /nfs/dbraw/zinc/50/56/73/900505673.db2.gz OYQHSPTWTOLNEP-UHFFFAOYSA-N 2 1 387.593 3.830 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000844300028 900689439 /nfs/dbraw/zinc/68/94/39/900689439.db2.gz IOHCXBVHLLSOAR-UTKZUKDTSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000844300028 900689450 /nfs/dbraw/zinc/68/94/50/900689450.db2.gz IOHCXBVHLLSOAR-UTKZUKDTSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[NH+]1C ZINC000844300028 900689457 /nfs/dbraw/zinc/68/94/57/900689457.db2.gz IOHCXBVHLLSOAR-UTKZUKDTSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[NH+]1C ZINC000844300028 900689465 /nfs/dbraw/zinc/68/94/65/900689465.db2.gz IOHCXBVHLLSOAR-UTKZUKDTSA-N 2 1 387.568 3.894 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886500372 901084260 /nfs/dbraw/zinc/08/42/60/901084260.db2.gz SGUABAMDRCIGGE-PMOQBDJRSA-N 2 1 393.531 3.527 20 0 GHADMP O=C(NC1CC1)c1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886516316 901112566 /nfs/dbraw/zinc/11/25/66/901112566.db2.gz CDERLWXBXXSFGF-ZTCOLXNVSA-N 2 1 389.543 3.722 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000886585663 901178350 /nfs/dbraw/zinc/17/83/50/901178350.db2.gz CPQGAXMVRPDXDT-PMOQBDJRSA-N 2 1 392.547 3.652 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886585663 901178356 /nfs/dbraw/zinc/17/83/56/901178356.db2.gz CPQGAXMVRPDXDT-PMOQBDJRSA-N 2 1 392.547 3.652 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886641908 901201787 /nfs/dbraw/zinc/20/17/87/901201787.db2.gz VJMXVBDYRRSJAW-FIXSFTCYSA-N 2 1 377.532 3.812 20 0 GHADMP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)O2)[C@H]1C ZINC000886769040 901262218 /nfs/dbraw/zinc/26/22/18/901262218.db2.gz NXONZCDQWNZYOX-ZUNIMCITSA-N 2 1 384.564 3.602 20 0 GHADMP C[C@]1(CNC(=O)Nc2cccc3c2CC[NH2+]C3)CCC[N@H+]1Cc1ccccc1 ZINC000575851786 901385873 /nfs/dbraw/zinc/38/58/73/901385873.db2.gz SXXKLDAIARZZTF-HSZRJFAPSA-N 2 1 378.520 3.509 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000775016420 914533511 /nfs/dbraw/zinc/53/35/11/914533511.db2.gz NGPRAXOLFNOGAR-HXUWFJFHSA-N 2 1 389.337 3.614 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171161557 901777909 /nfs/dbraw/zinc/77/79/09/901777909.db2.gz MKUBBRKJWNCEJA-FFZOFVMBSA-N 2 1 382.379 3.561 20 0 GHADMP CCOc1ccc(-c2nc(C[N@@H+](C)CCCn3ccnc3)cs2)cc1OC ZINC000124226748 902040231 /nfs/dbraw/zinc/04/02/31/902040231.db2.gz UVFCIJBXRCOTII-UHFFFAOYSA-N 2 1 386.521 3.936 20 0 GHADMP CCOc1ccc(-c2nc(CN(C)CCCn3ccnc3)cs2)cc1OC ZINC000124226748 902040244 /nfs/dbraw/zinc/04/02/44/902040244.db2.gz UVFCIJBXRCOTII-UHFFFAOYSA-N 2 1 386.521 3.936 20 0 GHADMP COC(=O)c1ccc([C@H](C)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550779 902089994 /nfs/dbraw/zinc/08/99/94/902089994.db2.gz BGKKIFHQRZCKII-JKSUJKDBSA-N 2 1 376.522 3.951 20 0 GHADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000576703103 902203054 /nfs/dbraw/zinc/20/30/54/902203054.db2.gz APZVXDKBWVGYFZ-HLIPFELVSA-N 2 1 378.944 3.719 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2[nH+]cn3ccccc23)cc1 ZINC001144625516 902500568 /nfs/dbraw/zinc/50/05/68/902500568.db2.gz NYHHZTLQWRQLIF-HXUWFJFHSA-N 2 1 378.520 3.829 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2[nH+]cn3ccccc23)cc1 ZINC001144625516 902500578 /nfs/dbraw/zinc/50/05/78/902500578.db2.gz NYHHZTLQWRQLIF-HXUWFJFHSA-N 2 1 378.520 3.829 20 0 GHADMP C[C@H](CCN1CC[N@@H+](C)C2(CCCCC2)C1)N1CC[NH+](C)C2(CCCCC2)C1 ZINC000577229912 902600459 /nfs/dbraw/zinc/60/04/59/902600459.db2.gz DXRBLDPJRRUYAT-JOCHJYFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[C@H](CCN1CC[NH+](C)C2(CCCCC2)C1)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000577229912 902600468 /nfs/dbraw/zinc/60/04/68/902600468.db2.gz DXRBLDPJRRUYAT-JOCHJYFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[C@H](CCN1CC[NH+](C)C2(CCCCC2)C1)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000577229912 902600474 /nfs/dbraw/zinc/60/04/74/902600474.db2.gz DXRBLDPJRRUYAT-JOCHJYFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccc4cc[nH]c43)O2)CC1 ZINC001144713657 902690222 /nfs/dbraw/zinc/69/02/22/902690222.db2.gz SVFFQKWNAORHBB-DNVJHFABSA-N 2 1 397.563 3.648 20 0 GHADMP O=C(C[N@H+]1CCCC2(CCCCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000600747374 902869567 /nfs/dbraw/zinc/86/95/67/902869567.db2.gz VXHRSMMPDNABSN-UHFFFAOYSA-N 2 1 383.580 3.945 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600855975 903012184 /nfs/dbraw/zinc/01/21/84/903012184.db2.gz JBZJEYOGKKYABZ-JOCHJYFZSA-N 2 1 386.584 3.606 20 0 GHADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C2 ZINC000577684330 903045487 /nfs/dbraw/zinc/04/54/87/903045487.db2.gz YAKNWZNVBWGKHH-SFHVURJKSA-N 2 1 386.584 3.895 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000577741971 903147193 /nfs/dbraw/zinc/14/71/93/903147193.db2.gz PDLFQDBHECQOLP-HAFPXEGZSA-N 2 1 397.950 3.595 20 0 GHADMP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1)C1CCCCC1 ZINC001144992041 903319142 /nfs/dbraw/zinc/31/91/42/903319142.db2.gz DMGXGCZIIMWPOE-QFIPXVFZSA-N 2 1 386.584 3.597 20 0 GHADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1)C1CCCCC1 ZINC001144992041 903319155 /nfs/dbraw/zinc/31/91/55/903319155.db2.gz DMGXGCZIIMWPOE-QFIPXVFZSA-N 2 1 386.584 3.597 20 0 GHADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)C1CCCCC1 ZINC001144992041 903319170 /nfs/dbraw/zinc/31/91/70/903319170.db2.gz DMGXGCZIIMWPOE-QFIPXVFZSA-N 2 1 386.584 3.597 20 0 GHADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)C1CCCCC1 ZINC001144992041 903319184 /nfs/dbraw/zinc/31/91/84/903319184.db2.gz DMGXGCZIIMWPOE-QFIPXVFZSA-N 2 1 386.584 3.597 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCC ZINC000133160667 903351828 /nfs/dbraw/zinc/35/18/28/903351828.db2.gz GVBMHSFRGZJRRU-ZWKOTPCHSA-N 2 1 376.541 3.636 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000846989450 903369416 /nfs/dbraw/zinc/36/94/16/903369416.db2.gz BIKHKVKFNFFYEM-AZUAARDMSA-N 2 1 390.572 3.854 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000846989450 903369429 /nfs/dbraw/zinc/36/94/29/903369429.db2.gz BIKHKVKFNFFYEM-AZUAARDMSA-N 2 1 390.572 3.854 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000601236791 903494145 /nfs/dbraw/zinc/49/41/45/903494145.db2.gz JMMFCFFCKRXVQZ-DENIHFKCSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000578561882 903963979 /nfs/dbraw/zinc/96/39/79/903963979.db2.gz VXBIGUOARINALC-TZIWHRDSSA-N 2 1 390.535 3.615 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000646681449 914771492 /nfs/dbraw/zinc/77/14/92/914771492.db2.gz YTPOWVIIWGSQQX-JTHBVZDNSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646681449 914771508 /nfs/dbraw/zinc/77/15/08/914771508.db2.gz YTPOWVIIWGSQQX-JTHBVZDNSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646681449 914771518 /nfs/dbraw/zinc/77/15/18/914771518.db2.gz YTPOWVIIWGSQQX-JTHBVZDNSA-N 2 1 385.596 3.712 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171481860 904723580 /nfs/dbraw/zinc/72/35/80/904723580.db2.gz JFQALHCIOYMGKB-QZTJIDSGSA-N 2 1 378.507 3.834 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1(C)C ZINC001171631466 904854133 /nfs/dbraw/zinc/85/41/33/904854133.db2.gz IWJJJLATBQPZAM-FUHWJXTLSA-N 2 1 379.589 3.969 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)C2 ZINC001171616163 904883003 /nfs/dbraw/zinc/88/30/03/904883003.db2.gz ZAQUNXMXCUWEOF-WYADAEROSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1(C)C ZINC001171639573 904929873 /nfs/dbraw/zinc/92/98/73/904929873.db2.gz PJCJLCDAJZYDMY-SJORKVTESA-N 2 1 379.589 3.827 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)CC1(C)C ZINC001171640306 904930560 /nfs/dbraw/zinc/93/05/60/904930560.db2.gz BSUSQFVKBNAPAZ-MRXNPFEDSA-N 2 1 387.543 3.897 20 0 GHADMP C[C@@H]1C[C@H](N(c2ccccc2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC001171752029 904980370 /nfs/dbraw/zinc/98/03/70/904980370.db2.gz PJABPNPDWPJSQO-HKTJVKLFSA-N 2 1 391.559 3.677 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN([C@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC001171751464 904980482 /nfs/dbraw/zinc/98/04/82/904980482.db2.gz NWJLIYYYXAGCRM-CTNGQTDRSA-N 2 1 395.595 3.547 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN([C@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC001171751464 904980491 /nfs/dbraw/zinc/98/04/91/904980491.db2.gz NWJLIYYYXAGCRM-CTNGQTDRSA-N 2 1 395.595 3.547 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767184 905002890 /nfs/dbraw/zinc/00/28/90/905002890.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767184 905002899 /nfs/dbraw/zinc/00/28/99/905002899.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767184 905002916 /nfs/dbraw/zinc/00/29/16/905002916.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767184 905002932 /nfs/dbraw/zinc/00/29/32/905002932.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767184 905002948 /nfs/dbraw/zinc/00/29/48/905002948.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767184 905002965 /nfs/dbraw/zinc/00/29/65/905002965.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767184 905002981 /nfs/dbraw/zinc/00/29/81/905002981.db2.gz LHXHGGXOHQUSHQ-MNPDLOSFSA-N 2 1 375.560 3.713 20 0 GHADMP CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001171734234 905017962 /nfs/dbraw/zinc/01/79/62/905017962.db2.gz DAFDJNKOAFGSTC-NRFANRHFSA-N 2 1 388.552 3.605 20 0 GHADMP CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001171734234 905017979 /nfs/dbraw/zinc/01/79/79/905017979.db2.gz DAFDJNKOAFGSTC-NRFANRHFSA-N 2 1 388.552 3.605 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171739639 905024286 /nfs/dbraw/zinc/02/42/86/905024286.db2.gz QUFVBHKCXKIWQR-KNQAVFIVSA-N 2 1 379.548 3.608 20 0 GHADMP C[C@H]1C[C@H](N2CCC([NH3+])(Cc3ccccc3F)CC2)C[N@H+]1Cc1ccccc1 ZINC001171739629 905024610 /nfs/dbraw/zinc/02/46/10/905024610.db2.gz QRBCOTVCICNBKG-UGKGYDQZSA-N 2 1 381.539 3.825 20 0 GHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000626580054 905154772 /nfs/dbraw/zinc/15/47/72/905154772.db2.gz ULGUXSGUFJJWQD-QUCCMNQESA-N 2 1 381.524 3.691 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977195 905222332 /nfs/dbraw/zinc/22/23/32/905222332.db2.gz YDIZZGDZEGPMEL-ZWKOTPCHSA-N 2 1 397.485 3.573 20 0 GHADMP COCc1cccc([C@@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171979754 905228391 /nfs/dbraw/zinc/22/83/91/905228391.db2.gz QNNWDDBMLRFMOS-XZOQPEGZSA-N 2 1 382.548 3.899 20 0 GHADMP COCc1cccc([C@@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171979754 905228406 /nfs/dbraw/zinc/22/84/06/905228406.db2.gz QNNWDDBMLRFMOS-XZOQPEGZSA-N 2 1 382.548 3.899 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981874 905234885 /nfs/dbraw/zinc/23/48/85/905234885.db2.gz OFMBKECWBVNTMB-CGXNFDGLSA-N 2 1 399.579 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981874 905234890 /nfs/dbraw/zinc/23/48/90/905234890.db2.gz OFMBKECWBVNTMB-CGXNFDGLSA-N 2 1 399.579 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981874 905234901 /nfs/dbraw/zinc/23/49/01/905234901.db2.gz OFMBKECWBVNTMB-CGXNFDGLSA-N 2 1 399.579 3.885 20 0 GHADMP COc1cc[nH+]c(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)c1 ZINC001171987223 905249500 /nfs/dbraw/zinc/24/95/00/905249500.db2.gz RTWOMYLZACIPHH-NRFANRHFSA-N 2 1 394.563 3.655 20 0 GHADMP COc1cc[nH+]c(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)c1 ZINC001171987223 905249520 /nfs/dbraw/zinc/24/95/20/905249520.db2.gz RTWOMYLZACIPHH-NRFANRHFSA-N 2 1 394.563 3.655 20 0 GHADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1=O ZINC001172029459 905264542 /nfs/dbraw/zinc/26/45/42/905264542.db2.gz BKSLMRDZWQADAC-RBZQAINGSA-N 2 1 391.559 3.645 20 0 GHADMP c1csc(N2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001172080819 905294357 /nfs/dbraw/zinc/29/43/57/905294357.db2.gz XDPVKHNXXOTCCJ-WKCHPHFGSA-N 2 1 382.577 3.851 20 0 GHADMP CCOC(=O)NC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172091047 905310221 /nfs/dbraw/zinc/31/02/21/905310221.db2.gz ZXXSHZYVHNXTJZ-ZBYYUNFXSA-N 2 1 385.552 3.783 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cn21 ZINC001172065460 905331430 /nfs/dbraw/zinc/33/14/30/905331430.db2.gz MEAPXJNPIXAPLF-DKUWSORSSA-N 2 1 389.547 3.967 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn21 ZINC001172065460 905331444 /nfs/dbraw/zinc/33/14/44/905331444.db2.gz MEAPXJNPIXAPLF-DKUWSORSSA-N 2 1 389.547 3.967 20 0 GHADMP N=c1sc2c(n1[C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC[C@H]([NH3+])C2 ZINC001172065604 905332638 /nfs/dbraw/zinc/33/26/38/905332638.db2.gz OYUWUEWOKSGJRI-INDMIFKZSA-N 2 1 382.577 3.603 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CCC(NC(=O)OC(C)(C)C)(CC1)CC3)C2 ZINC001172103160 905352287 /nfs/dbraw/zinc/35/22/87/905352287.db2.gz SYZUSAMRBQOFSC-VJWXOCIZSA-N 2 1 377.573 3.961 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C13CCC(NC(=O)OC(C)(C)C)(CC1)CC3)C2 ZINC001172103160 905352302 /nfs/dbraw/zinc/35/23/02/905352302.db2.gz SYZUSAMRBQOFSC-VJWXOCIZSA-N 2 1 377.573 3.961 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1Cc3ccccc3CN1C(=O)OC(C)(C)C)C2 ZINC001172110465 905355828 /nfs/dbraw/zinc/35/58/28/905355828.db2.gz NJVRAMSHCCUCRT-KJJMTIBFSA-N 2 1 399.579 3.953 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172111281 905360762 /nfs/dbraw/zinc/36/07/62/905360762.db2.gz PMAQUMLOHBAAMT-LWYYNNOASA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172111281 905360772 /nfs/dbraw/zinc/36/07/72/905360772.db2.gz PMAQUMLOHBAAMT-LWYYNNOASA-N 2 1 381.568 3.630 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172114183 905363292 /nfs/dbraw/zinc/36/32/92/905363292.db2.gz BLQAUJHRTIVECD-KOUNCHBCSA-N 2 1 394.563 3.680 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172114183 905363310 /nfs/dbraw/zinc/36/33/10/905363310.db2.gz BLQAUJHRTIVECD-KOUNCHBCSA-N 2 1 394.563 3.680 20 0 GHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172114183 905363320 /nfs/dbraw/zinc/36/33/20/905363320.db2.gz BLQAUJHRTIVECD-KOUNCHBCSA-N 2 1 394.563 3.680 20 0 GHADMP C[NH+](Cc1ccco1)Cc1cncc2c1CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172114183 905363337 /nfs/dbraw/zinc/36/33/37/905363337.db2.gz BLQAUJHRTIVECD-KOUNCHBCSA-N 2 1 394.563 3.680 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123309 905381486 /nfs/dbraw/zinc/38/14/86/905381486.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001172123309 905381502 /nfs/dbraw/zinc/38/15/02/905381502.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001172123309 905381516 /nfs/dbraw/zinc/38/15/16/905381516.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 2 1 382.596 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123309 905381536 /nfs/dbraw/zinc/38/15/36/905381536.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 3 1 382.596 3.629 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123309 905381579 /nfs/dbraw/zinc/38/15/79/905381579.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123309 905381609 /nfs/dbraw/zinc/38/16/09/905381609.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172123309 905381625 /nfs/dbraw/zinc/38/16/25/905381625.db2.gz ZNDUINNQBYODKM-BIWVMFSCSA-N 3 1 382.596 3.629 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001172243401 905444359 /nfs/dbraw/zinc/44/43/59/905444359.db2.gz JQTPDFOWENUULO-UHFFFAOYSA-N 2 1 377.529 3.624 20 0 GHADMP CCN(C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000627618678 905649313 /nfs/dbraw/zinc/64/93/13/905649313.db2.gz CPQPGKDSDXBVHM-UHFFFAOYSA-N 2 1 379.548 3.632 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3C(F)(F)F)CC2)C1 ZINC001172601886 905662224 /nfs/dbraw/zinc/66/22/24/905662224.db2.gz HDNRVEFMOADEFY-HUUCEWRRSA-N 2 1 384.442 3.687 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682773 905735044 /nfs/dbraw/zinc/73/50/44/905735044.db2.gz RKYLGQWEBHYBNF-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682773 905735084 /nfs/dbraw/zinc/73/50/84/905735084.db2.gz RKYLGQWEBHYBNF-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682773 905735095 /nfs/dbraw/zinc/73/50/95/905735095.db2.gz RKYLGQWEBHYBNF-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172810433 905843395 /nfs/dbraw/zinc/84/33/95/905843395.db2.gz SHZHBEDJGOPRGM-OKCRPCIYSA-N 2 1 385.552 3.790 20 0 GHADMP COc1cccc2c1C[C@@H]([NH2+][C@H]1C3c4ccccc4C(c4ccccc43)[C@@H]1[NH3+])CO2 ZINC001173164776 906221783 /nfs/dbraw/zinc/22/17/83/906221783.db2.gz PYUWAKORDLGKEP-JIKSBOAXSA-N 2 1 398.506 3.575 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H](C)Cc3ccc(CC)cc3)CC2)CC1 ZINC001173240489 906353487 /nfs/dbraw/zinc/35/34/87/906353487.db2.gz PHHOISDTHLIGAQ-IBGZPJMESA-N 2 1 386.580 3.920 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734255 906675269 /nfs/dbraw/zinc/67/52/69/906675269.db2.gz HYQRYUDNYRCOFV-IEXUWNMDSA-N 2 1 392.543 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734255 906675279 /nfs/dbraw/zinc/67/52/79/906675279.db2.gz HYQRYUDNYRCOFV-IEXUWNMDSA-N 2 1 392.543 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734255 906675289 /nfs/dbraw/zinc/67/52/89/906675289.db2.gz HYQRYUDNYRCOFV-IEXUWNMDSA-N 2 1 392.543 3.858 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000629580160 906875709 /nfs/dbraw/zinc/87/57/09/906875709.db2.gz NRNAZUJOAQUEAK-FCHUYYIVSA-N 2 1 388.939 3.644 20 0 GHADMP COc1cc(C[NH2+]CC2([NH3+])CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000629653982 906930959 /nfs/dbraw/zinc/93/09/59/906930959.db2.gz KYETVTPACAGCMF-UHFFFAOYSA-N 2 1 390.911 3.525 20 0 GHADMP CC(C)(C)n1cc(C[NH2+]CC2([NH3+])CCOCC2)c(-c2ccccc2Cl)n1 ZINC000629654663 906932784 /nfs/dbraw/zinc/93/27/84/906932784.db2.gz PBMWDHTXANGVNJ-UHFFFAOYSA-N 2 1 376.932 3.556 20 0 GHADMP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3Br)cc2)CCOCC1 ZINC000629655626 906932926 /nfs/dbraw/zinc/93/29/26/906932926.db2.gz WUHXBECOEMBTCR-UHFFFAOYSA-N 2 1 375.310 3.714 20 0 GHADMP Cc1cc(C2CC[NH2+]CC2)ccc1-c1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000629705385 906971739 /nfs/dbraw/zinc/97/17/39/906971739.db2.gz KXYSRJRDBRKLHB-UHFFFAOYSA-N 2 1 393.575 3.755 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Br)s1 ZINC000182273943 907175689 /nfs/dbraw/zinc/17/56/89/907175689.db2.gz PRRIQXSSIXYGKB-CJNGLKHVSA-N 2 1 395.366 3.928 20 0 GHADMP CN(C)Cc1cc(CNCc2ncc(Br)cc2Cl)ccc1F ZINC000631073980 907584373 /nfs/dbraw/zinc/58/43/73/907584373.db2.gz SEYLEEYARRQRQK-UHFFFAOYSA-N 2 1 386.696 3.988 20 0 GHADMP C[NH+]1CCN(Cc2cccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)c2)CC1 ZINC001175506839 907594759 /nfs/dbraw/zinc/59/47/59/907594759.db2.gz OXIGJBXNVRYBAO-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2cccc(NC3=CC[N@H+](Cc4ccccc4)CC3)c2)CC1 ZINC001175506839 907594772 /nfs/dbraw/zinc/59/47/72/907594772.db2.gz OXIGJBXNVRYBAO-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2cccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)c2)CC1 ZINC001175506839 907594788 /nfs/dbraw/zinc/59/47/88/907594788.db2.gz OXIGJBXNVRYBAO-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP COCc1cccc(OCC2(C[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)CCC2)c1 ZINC001175769764 907735505 /nfs/dbraw/zinc/73/55/05/907735505.db2.gz UBNDSNCPZRPEBW-FQEVSTJZSA-N 2 1 395.547 3.988 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648146 907788030 /nfs/dbraw/zinc/78/80/30/907788030.db2.gz VZQWLNIWBQICJT-PZJWPPBQSA-N 2 1 384.520 3.511 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000185671150 907810340 /nfs/dbraw/zinc/81/03/40/907810340.db2.gz UCOPKHCXUYUORR-SLFFLAALSA-N 2 1 398.595 3.856 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000185671150 907810347 /nfs/dbraw/zinc/81/03/47/907810347.db2.gz UCOPKHCXUYUORR-SLFFLAALSA-N 2 1 398.595 3.856 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678541 907812147 /nfs/dbraw/zinc/81/21/47/907812147.db2.gz YGYJYDLZJNPFFG-JENIJYKNSA-N 2 1 375.532 3.588 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678541 907812154 /nfs/dbraw/zinc/81/21/54/907812154.db2.gz YGYJYDLZJNPFFG-JENIJYKNSA-N 2 1 375.532 3.588 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697664 907816300 /nfs/dbraw/zinc/81/63/00/907816300.db2.gz QJFCZFQBLWEDPX-HRCADAONSA-N 2 1 393.959 3.918 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697664 907816317 /nfs/dbraw/zinc/81/63/17/907816317.db2.gz QJFCZFQBLWEDPX-HRCADAONSA-N 2 1 393.959 3.918 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927428 908021778 /nfs/dbraw/zinc/02/17/78/908021778.db2.gz AQKGBOHEQYNGMJ-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000187306826 908071840 /nfs/dbraw/zinc/07/18/40/908071840.db2.gz LLMCOIMDKSYKMA-DHIUTWEWSA-N 2 1 395.547 3.615 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000633073953 908206605 /nfs/dbraw/zinc/20/66/05/908206605.db2.gz ZBLPDEJEDKLSHX-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(CC)c3ccc(F)cc3)CC2)CC1 ZINC000633793884 908490191 /nfs/dbraw/zinc/49/01/91/908490191.db2.gz KXRNYYXKHFRCIN-HSZRJFAPSA-N 2 1 389.559 3.763 20 0 GHADMP c1nc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)sc1-c1ccccc1 ZINC001177553856 908616833 /nfs/dbraw/zinc/61/68/33/908616833.db2.gz BCOGCFXKQPZTFO-UHFFFAOYSA-N 2 1 393.560 3.507 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000191535129 908638694 /nfs/dbraw/zinc/63/86/94/908638694.db2.gz HJIKSFYZDKAHAD-AABGKKOBSA-N 2 1 376.566 3.590 20 0 GHADMP CC(C)C[C@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)n1 ZINC000634555832 908765344 /nfs/dbraw/zinc/76/53/44/908765344.db2.gz WIEURYHMZZEXDO-HBMCJLEFSA-N 2 1 391.519 3.894 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC001179531853 909565642 /nfs/dbraw/zinc/56/56/42/909565642.db2.gz PUMGSUHHOAKETD-RBUKOAKNSA-N 2 1 388.449 3.922 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000069706761 909710711 /nfs/dbraw/zinc/71/07/11/909710711.db2.gz BNJYTOXVHUZABV-LJQANCHMSA-N 2 1 379.552 3.599 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000069706761 909710722 /nfs/dbraw/zinc/71/07/22/909710722.db2.gz BNJYTOXVHUZABV-LJQANCHMSA-N 2 1 379.552 3.599 20 0 GHADMP CC(C)(C)[C@]1(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001179980527 909848705 /nfs/dbraw/zinc/84/87/05/909848705.db2.gz RHSZZBRALIYVJL-AOHZBQACSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001179980527 909848717 /nfs/dbraw/zinc/84/87/17/909848717.db2.gz RHSZZBRALIYVJL-AOHZBQACSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@H]([C@H]3CCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001179980527 909848724 /nfs/dbraw/zinc/84/87/24/909848724.db2.gz RHSZZBRALIYVJL-AOHZBQACSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@H]([C@H]3CCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001179980527 909848730 /nfs/dbraw/zinc/84/87/30/909848730.db2.gz RHSZZBRALIYVJL-AOHZBQACSA-N 2 1 386.580 3.805 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268782197 910013819 /nfs/dbraw/zinc/01/38/19/910013819.db2.gz DHLYGYSPAVINNO-AUSIDOKSSA-N 2 1 385.596 3.914 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268782197 910013831 /nfs/dbraw/zinc/01/38/31/910013831.db2.gz DHLYGYSPAVINNO-AUSIDOKSSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000268806984 910025913 /nfs/dbraw/zinc/02/59/13/910025913.db2.gz JPWMGDYXZNYARD-RDPSFJRHSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000268806987 910026224 /nfs/dbraw/zinc/02/62/24/910026224.db2.gz JPWMGDYXZNYARD-YKSBVNFPSA-N 2 1 391.559 3.809 20 0 GHADMP CCC[N@H+]([C@@H](C)c1cnc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638082427 910048579 /nfs/dbraw/zinc/04/85/79/910048579.db2.gz AJLWJJALJCSEIT-KRWDZBQOSA-N 2 1 382.556 3.942 20 0 GHADMP CCC[N@@H+]([C@@H](C)c1cnc(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000638082427 910048595 /nfs/dbraw/zinc/04/85/95/910048595.db2.gz AJLWJJALJCSEIT-KRWDZBQOSA-N 2 1 382.556 3.942 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC[C@H]1[NH3+] ZINC000638207719 910087230 /nfs/dbraw/zinc/08/72/30/910087230.db2.gz OFHOJGXUKZGVAJ-DOIPELPJSA-N 2 1 397.588 3.550 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638352489 910129844 /nfs/dbraw/zinc/12/98/44/910129844.db2.gz NRMBUNUTXSEKOP-GMAHTHKFSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638352489 910129851 /nfs/dbraw/zinc/12/98/51/910129851.db2.gz NRMBUNUTXSEKOP-GMAHTHKFSA-N 2 1 393.531 3.842 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000638386227 910141280 /nfs/dbraw/zinc/14/12/80/910141280.db2.gz LMRQHRHNXAIFRJ-RTBURBONSA-N 2 1 391.357 3.769 20 0 GHADMP [NH3+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000638393713 910144943 /nfs/dbraw/zinc/14/49/43/910144943.db2.gz UQOHJLNSMUVTTM-NHCUHLMSSA-N 2 1 397.588 3.551 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cs1)c1ccccc1 ZINC000639177235 910342804 /nfs/dbraw/zinc/34/28/04/910342804.db2.gz QLAHWLDVTUFXQS-IBGZPJMESA-N 2 1 398.576 3.991 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cs1)c1ccccc1 ZINC000639177235 910342819 /nfs/dbraw/zinc/34/28/19/910342819.db2.gz QLAHWLDVTUFXQS-IBGZPJMESA-N 2 1 398.576 3.991 20 0 GHADMP C[N@@H+](CCC(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC001181139224 910566061 /nfs/dbraw/zinc/56/60/61/910566061.db2.gz CCBHLQNCCMCAIK-UHFFFAOYSA-N 2 1 397.538 3.771 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001181484023 910814668 /nfs/dbraw/zinc/81/46/68/910814668.db2.gz DDOIJXSCQFVMEK-UHFFFAOYSA-N 2 1 399.539 3.907 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001181484023 910814682 /nfs/dbraw/zinc/81/46/82/910814682.db2.gz DDOIJXSCQFVMEK-UHFFFAOYSA-N 2 1 399.539 3.907 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000271435726 910905259 /nfs/dbraw/zinc/90/52/59/910905259.db2.gz FKKAUOXODDGPKI-YKSBVNFPSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000271435726 910905266 /nfs/dbraw/zinc/90/52/66/910905266.db2.gz FKKAUOXODDGPKI-YKSBVNFPSA-N 2 1 391.559 3.952 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)Nc1c(F)cccc1OCC1CC[NH+](C)CC1 ZINC001181864940 911045921 /nfs/dbraw/zinc/04/59/21/911045921.db2.gz KSEMYLJOXVDBCQ-UHFFFAOYSA-N 2 1 393.547 3.997 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000801934493 921647004 /nfs/dbraw/zinc/64/70/04/921647004.db2.gz NQDVFTGGCINEQG-DYXWJJEUSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000801934493 921647009 /nfs/dbraw/zinc/64/70/09/921647009.db2.gz NQDVFTGGCINEQG-DYXWJJEUSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000801934493 921647011 /nfs/dbraw/zinc/64/70/11/921647011.db2.gz NQDVFTGGCINEQG-DYXWJJEUSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000801934493 921647014 /nfs/dbraw/zinc/64/70/14/921647014.db2.gz NQDVFTGGCINEQG-DYXWJJEUSA-N 2 1 391.600 3.972 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC001182423920 911615673 /nfs/dbraw/zinc/61/56/73/911615673.db2.gz LELPSFLQQDFXTA-QVGHQYEOSA-N 2 1 382.548 3.889 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC001182423920 911615682 /nfs/dbraw/zinc/61/56/82/911615682.db2.gz LELPSFLQQDFXTA-QVGHQYEOSA-N 2 1 382.548 3.889 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)CC1 ZINC000642342948 912000057 /nfs/dbraw/zinc/00/00/57/912000057.db2.gz WJSCJHPOCRKPPK-UHFFFAOYSA-N 2 1 380.580 3.962 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCO2 ZINC000248456678 912112700 /nfs/dbraw/zinc/11/27/00/912112700.db2.gz SKKWJLZSVJRYLT-XZOQPEGZSA-N 2 1 380.532 3.819 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647179449 915073307 /nfs/dbraw/zinc/07/33/07/915073307.db2.gz ZZWHKRCFOFEJAL-QHCPKHFHSA-N 2 1 377.532 3.974 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000647179449 915073322 /nfs/dbraw/zinc/07/33/22/915073322.db2.gz ZZWHKRCFOFEJAL-QHCPKHFHSA-N 2 1 377.532 3.974 20 0 GHADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000647213254 915086447 /nfs/dbraw/zinc/08/64/47/915086447.db2.gz XKNGMIHLLUFRKV-JOCHJYFZSA-N 2 1 396.579 3.558 20 0 GHADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000647213254 915086467 /nfs/dbraw/zinc/08/64/67/915086467.db2.gz XKNGMIHLLUFRKV-JOCHJYFZSA-N 2 1 396.579 3.558 20 0 GHADMP CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OCC(F)(F)F ZINC000647479617 915292777 /nfs/dbraw/zinc/29/27/77/915292777.db2.gz NITNZOGIUSGIIW-IAGOWNOFSA-N 2 1 386.458 3.990 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1OCC(F)(F)F ZINC000647479617 915292789 /nfs/dbraw/zinc/29/27/89/915292789.db2.gz NITNZOGIUSGIIW-IAGOWNOFSA-N 2 1 386.458 3.990 20 0 GHADMP Cc1cc(=O)oc2cc(OCC[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc12 ZINC000303918938 915308780 /nfs/dbraw/zinc/30/87/80/915308780.db2.gz SYQBUDYQWGRBEK-HXUWFJFHSA-N 2 1 398.547 3.924 20 0 GHADMP Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccc12 ZINC000303918938 915308793 /nfs/dbraw/zinc/30/87/93/915308793.db2.gz SYQBUDYQWGRBEK-HXUWFJFHSA-N 2 1 398.547 3.924 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(-c3cccs3)s2)C1=O ZINC001275619859 915358987 /nfs/dbraw/zinc/35/89/87/915358987.db2.gz JYFMCCFQTMYWDM-HXUWFJFHSA-N 2 1 389.590 3.605 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000647890716 915427932 /nfs/dbraw/zinc/42/79/32/915427932.db2.gz IWFFVRPRNIXTBL-ZCNNSNEGSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000647890716 915427940 /nfs/dbraw/zinc/42/79/40/915427940.db2.gz IWFFVRPRNIXTBL-ZCNNSNEGSA-N 2 1 389.337 3.517 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000292775064 915840900 /nfs/dbraw/zinc/84/09/00/915840900.db2.gz TUBFYDVZAHEFIM-LJQANCHMSA-N 2 1 395.528 3.682 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Sc3ccccn3)o2)C1 ZINC000292775064 915840926 /nfs/dbraw/zinc/84/09/26/915840926.db2.gz TUBFYDVZAHEFIM-LJQANCHMSA-N 2 1 395.528 3.682 20 0 GHADMP O=C(Cc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1)Nc1ccccc1 ZINC000649418064 916148158 /nfs/dbraw/zinc/14/81/58/916148158.db2.gz YQLKTUFYQZJCQF-ZWKOTPCHSA-N 2 1 398.576 3.536 20 0 GHADMP CCC[N@H+](Cc1cc2n(n1)CCCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000649560499 916231752 /nfs/dbraw/zinc/23/17/52/916231752.db2.gz PCZQRBHFSWZNBR-UHFFFAOYSA-N 2 1 382.556 3.507 20 0 GHADMP CCC[N@@H+](Cc1cc2n(n1)CCCC2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000649560499 916231775 /nfs/dbraw/zinc/23/17/75/916231775.db2.gz PCZQRBHFSWZNBR-UHFFFAOYSA-N 2 1 382.556 3.507 20 0 GHADMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000361802982 916922499 /nfs/dbraw/zinc/92/24/99/916922499.db2.gz FOPQUOUZTHHVFZ-SFHVURJKSA-N 2 1 382.508 3.552 20 0 GHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650416983 916968554 /nfs/dbraw/zinc/96/85/54/916968554.db2.gz IIDKIJILUIINFY-SFHVURJKSA-N 2 1 390.597 3.680 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000650417990 916971408 /nfs/dbraw/zinc/97/14/08/916971408.db2.gz LTZQVFJBVGYTSD-MOPGFXCFSA-N 2 1 388.581 3.623 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417590 916971704 /nfs/dbraw/zinc/97/17/04/916971704.db2.gz NMTATBIZXNLWCC-SFHVURJKSA-N 2 1 390.597 3.726 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000362032989 917044923 /nfs/dbraw/zinc/04/49/23/917044923.db2.gz RHJJKEMWDVNERV-LEOXJPRUSA-N 2 1 377.532 3.985 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000362032989 917044933 /nfs/dbraw/zinc/04/49/33/917044933.db2.gz RHJJKEMWDVNERV-LEOXJPRUSA-N 2 1 377.532 3.985 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Br)C2)C1 ZINC000650708468 917243384 /nfs/dbraw/zinc/24/33/84/917243384.db2.gz ZYSVWUPCGXINFQ-YSVLISHTSA-N 2 1 387.749 3.821 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722635 917248574 /nfs/dbraw/zinc/24/85/74/917248574.db2.gz YLMNRYZMSMESHV-KBAYOESNSA-N 2 1 382.932 3.608 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000650722415 917248827 /nfs/dbraw/zinc/24/88/27/917248827.db2.gz SIILSOAIVSLLJK-QRQLOZEOSA-N 2 1 396.959 3.998 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cs2)cc1 ZINC000650721823 917250042 /nfs/dbraw/zinc/25/00/42/917250042.db2.gz CIBIZRCULWZJEX-PWIZWCRZSA-N 2 1 387.549 3.680 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000650723470 917250136 /nfs/dbraw/zinc/25/01/36/917250136.db2.gz OPAPYXFCMFCQEC-PUHATCMVSA-N 2 1 381.520 3.521 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000651220169 917522717 /nfs/dbraw/zinc/52/27/17/917522717.db2.gz VPSBLHLUUKENRF-NRFANRHFSA-N 2 1 378.605 3.691 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001190790640 917566795 /nfs/dbraw/zinc/56/67/95/917566795.db2.gz BHSIHMBCXRYDBC-QHCPKHFHSA-N 2 1 399.579 3.984 20 0 GHADMP OC[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCc2ccccc21 ZINC000652227698 917847365 /nfs/dbraw/zinc/84/73/65/917847365.db2.gz MRBHZBWEYAAHNE-AANQFLQQSA-N 2 1 376.544 3.648 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000652362914 917882963 /nfs/dbraw/zinc/88/29/63/917882963.db2.gz SPPZQFKQVIATQE-MZYLBHOOSA-N 2 1 393.531 3.800 20 0 GHADMP COC(=O)c1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001191380711 917943343 /nfs/dbraw/zinc/94/33/43/917943343.db2.gz ABRBHTXAPRBMDK-CTNGQTDRSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001191380711 917943349 /nfs/dbraw/zinc/94/33/49/917943349.db2.gz ABRBHTXAPRBMDK-CTNGQTDRSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001191380711 917943358 /nfs/dbraw/zinc/94/33/58/917943358.db2.gz ABRBHTXAPRBMDK-CTNGQTDRSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001191380711 917943361 /nfs/dbraw/zinc/94/33/61/917943361.db2.gz ABRBHTXAPRBMDK-CTNGQTDRSA-N 2 1 396.531 3.837 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000363619119 918539084 /nfs/dbraw/zinc/53/90/84/918539084.db2.gz KILZZKYVDCMBIG-FPOVZHCZSA-N 2 1 379.504 3.664 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000363619119 918539100 /nfs/dbraw/zinc/53/91/00/918539100.db2.gz KILZZKYVDCMBIG-FPOVZHCZSA-N 2 1 379.504 3.664 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381776687 919690084 /nfs/dbraw/zinc/69/00/84/919690084.db2.gz DJYSFZFTYZOLDK-BJLQDIEVSA-N 2 1 375.557 3.647 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800484822 920170074 /nfs/dbraw/zinc/17/00/74/920170074.db2.gz FQSWXPRCXBJWFF-VQTJNVASSA-N 2 1 384.524 3.574 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800484822 920170078 /nfs/dbraw/zinc/17/00/78/920170078.db2.gz FQSWXPRCXBJWFF-VQTJNVASSA-N 2 1 384.524 3.574 20 0 GHADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000298267591 920356162 /nfs/dbraw/zinc/35/61/62/920356162.db2.gz GFEKPMOPWAHVLR-MRXNPFEDSA-N 2 1 380.467 3.634 20 0 GHADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000800971889 920657562 /nfs/dbraw/zinc/65/75/62/920657562.db2.gz XNEBINWEAMGQBQ-PKOBYXMFSA-N 2 1 379.342 3.669 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cnn(CC2CCC2)c1 ZINC000903076260 922751935 /nfs/dbraw/zinc/75/19/35/922751935.db2.gz MDCWJOKXKQYCAS-RTBURBONSA-N 2 1 382.552 3.755 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cnn(CC2CCC2)c1 ZINC000903076260 922751944 /nfs/dbraw/zinc/75/19/44/922751944.db2.gz MDCWJOKXKQYCAS-RTBURBONSA-N 2 1 382.552 3.755 20 0 GHADMP O=C1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1c1ccccc1C(F)(F)F ZINC000903153565 922813612 /nfs/dbraw/zinc/81/36/12/922813612.db2.gz SSGUNGHLYCLMPY-NZZOQPFGSA-N 2 1 393.453 3.558 20 0 GHADMP C[NH+](C)CC[C@H](N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cccnc1 ZINC000903376189 922971987 /nfs/dbraw/zinc/97/19/87/922971987.db2.gz AYXKBMFQVARUGB-IGABQKFOSA-N 2 1 378.564 3.717 20 0 GHADMP C[NH+](C)CC[C@H](N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cccnc1 ZINC000903376188 922972225 /nfs/dbraw/zinc/97/22/25/922972225.db2.gz AYXKBMFQVARUGB-BIHRQFPBSA-N 2 1 378.564 3.717 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000903762641 923266988 /nfs/dbraw/zinc/26/69/88/923266988.db2.gz BTCLTOUNUYGMFE-XTQVGHSUSA-N 2 1 399.510 3.615 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCc1ccccc1 ZINC000370216381 923963965 /nfs/dbraw/zinc/96/39/65/923963965.db2.gz QNUWBSHBQAUOAE-UHFFFAOYSA-N 2 1 385.596 3.664 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000370367654 924057459 /nfs/dbraw/zinc/05/74/59/924057459.db2.gz QEFDEEBCAZEBBJ-NTKDMRAZSA-N 2 1 379.548 3.980 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000677237674 924295132 /nfs/dbraw/zinc/29/51/32/924295132.db2.gz NJCMPSKXJVJXLV-NKRSRWBGSA-N 2 1 398.595 3.856 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000677237674 924295141 /nfs/dbraw/zinc/29/51/41/924295141.db2.gz NJCMPSKXJVJXLV-NKRSRWBGSA-N 2 1 398.595 3.856 20 0 GHADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678193681 924655695 /nfs/dbraw/zinc/65/56/95/924655695.db2.gz OTXPDXQXFBIFIO-QFIPXVFZSA-N 2 1 378.520 3.851 20 0 GHADMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678193681 924655701 /nfs/dbraw/zinc/65/57/01/924655701.db2.gz OTXPDXQXFBIFIO-QFIPXVFZSA-N 2 1 378.520 3.851 20 0 GHADMP c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678342891 924734517 /nfs/dbraw/zinc/73/45/17/924734517.db2.gz FPHGUBYWCDXTAZ-NHCUHLMSSA-N 2 1 398.510 3.996 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2)nn1 ZINC001137371167 925098644 /nfs/dbraw/zinc/09/86/44/925098644.db2.gz ZMMWQLXIJACXQO-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)nn1 ZINC001137371167 925098648 /nfs/dbraw/zinc/09/86/48/925098648.db2.gz ZMMWQLXIJACXQO-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)nn1 ZINC001137371167 925098656 /nfs/dbraw/zinc/09/86/56/925098656.db2.gz ZMMWQLXIJACXQO-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)Nc1ccccc1 ZINC000680040461 925338998 /nfs/dbraw/zinc/33/89/98/925338998.db2.gz ZOOBUJFHEVHMSE-NEKRIBJYSA-N 2 1 377.532 3.904 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)Nc1ccccc1 ZINC000680040461 925339002 /nfs/dbraw/zinc/33/90/02/925339002.db2.gz ZOOBUJFHEVHMSE-NEKRIBJYSA-N 2 1 377.532 3.904 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000410336857 925540216 /nfs/dbraw/zinc/54/02/16/925540216.db2.gz JYPSNCHGMRPQOA-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](CCNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000410336857 925540220 /nfs/dbraw/zinc/54/02/20/925540220.db2.gz JYPSNCHGMRPQOA-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000410336857 925540224 /nfs/dbraw/zinc/54/02/24/925540224.db2.gz JYPSNCHGMRPQOA-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000410335934 925541072 /nfs/dbraw/zinc/54/10/72/925541072.db2.gz BBYAFVLUVYNPIX-HXUWFJFHSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000410343767 925555851 /nfs/dbraw/zinc/55/58/51/925555851.db2.gz IDBQGJJSEFELBQ-GHTZIAJQSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000410343767 925555864 /nfs/dbraw/zinc/55/58/64/925555864.db2.gz IDBQGJJSEFELBQ-GHTZIAJQSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000410354982 925560017 /nfs/dbraw/zinc/56/00/17/925560017.db2.gz RXRMYSQSJANGIE-NZQKXSOJSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000410352255 925562375 /nfs/dbraw/zinc/56/23/75/925562375.db2.gz ZJNVJOHQZYDUIY-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(N2CCCC2)n1 ZINC000681397124 925811165 /nfs/dbraw/zinc/81/11/65/925811165.db2.gz HGKCKRZAJHJGKX-NZQKXSOJSA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(N2CCCC2)n1 ZINC000681397124 925811171 /nfs/dbraw/zinc/81/11/71/925811171.db2.gz HGKCKRZAJHJGKX-NZQKXSOJSA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc([C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCCCC2)cc1 ZINC000682907715 926293560 /nfs/dbraw/zinc/29/35/60/926293560.db2.gz GSSDCYNJOAQOSN-ZEQRLZLVSA-N 2 1 385.596 3.613 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390560555 926395207 /nfs/dbraw/zinc/39/52/07/926395207.db2.gz MMZNYSVUJXLVMG-LJQANCHMSA-N 2 1 375.557 3.792 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390560555 926395218 /nfs/dbraw/zinc/39/52/18/926395218.db2.gz MMZNYSVUJXLVMG-LJQANCHMSA-N 2 1 375.557 3.792 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000390720897 926397133 /nfs/dbraw/zinc/39/71/33/926397133.db2.gz NPWYDZJDMHOZNK-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411813197 926812526 /nfs/dbraw/zinc/81/25/26/926812526.db2.gz CZAKGLSQJVBNLM-UHFFFAOYSA-N 2 1 384.568 3.671 20 0 GHADMP COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411813197 926812537 /nfs/dbraw/zinc/81/25/37/926812537.db2.gz CZAKGLSQJVBNLM-UHFFFAOYSA-N 2 1 384.568 3.671 20 0 GHADMP CCCn1nc(C)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1C ZINC000374286775 926982214 /nfs/dbraw/zinc/98/22/14/926982214.db2.gz ZMSPXTYWFRRSPJ-UHFFFAOYSA-N 2 1 389.632 3.538 20 0 GHADMP CCN1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374846828 927596300 /nfs/dbraw/zinc/59/63/00/927596300.db2.gz SAVGTAAYSYTERN-ICSRJNTNSA-N 2 1 380.458 3.814 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000467375561 929012546 /nfs/dbraw/zinc/01/25/46/929012546.db2.gz FHXXKMIBNCUSJO-CQOQZXRMSA-N 2 1 379.548 3.643 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000467375561 929012556 /nfs/dbraw/zinc/01/25/56/929012556.db2.gz FHXXKMIBNCUSJO-CQOQZXRMSA-N 2 1 379.548 3.643 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000753292750 929289481 /nfs/dbraw/zinc/28/94/81/929289481.db2.gz AESPDOBWBWKIBC-INIZCTEOSA-N 2 1 377.916 3.574 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000753851230 929562418 /nfs/dbraw/zinc/56/24/18/929562418.db2.gz SXPLQVBXXIFMPY-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000469430982 929880562 /nfs/dbraw/zinc/88/05/62/929880562.db2.gz YVAPANJRFIFGQJ-OAQYLSRUSA-N 2 1 388.600 3.705 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469761512 930143540 /nfs/dbraw/zinc/14/35/40/930143540.db2.gz BELQTWOGGOUUOU-UGCAPWQASA-N 2 1 393.575 3.952 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469761512 930143544 /nfs/dbraw/zinc/14/35/44/930143544.db2.gz BELQTWOGGOUUOU-UGCAPWQASA-N 2 1 393.575 3.952 20 0 GHADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469861467 930213762 /nfs/dbraw/zinc/21/37/62/930213762.db2.gz XJGCQPKZKLVBRX-XUZZJYLKSA-N 2 1 391.559 3.742 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000470033433 930331299 /nfs/dbraw/zinc/33/12/99/930331299.db2.gz YFYASGLVRCKHEV-LPHOPBHVSA-N 2 1 380.960 3.717 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000759765915 930482209 /nfs/dbraw/zinc/48/22/09/930482209.db2.gz RGQVBEWGYJKHIJ-KRWDZBQOSA-N 2 1 398.320 3.793 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000759765915 930482214 /nfs/dbraw/zinc/48/22/14/930482214.db2.gz RGQVBEWGYJKHIJ-KRWDZBQOSA-N 2 1 398.320 3.793 20 0 GHADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000781422886 930838683 /nfs/dbraw/zinc/83/86/83/930838683.db2.gz QDMAWCSGVDWEFU-QVGHQYEOSA-N 2 1 382.523 3.924 20 0 GHADMP CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470755569 930885385 /nfs/dbraw/zinc/88/53/85/930885385.db2.gz MPCBXBURHFYSAS-HXUWFJFHSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000470757996 930888267 /nfs/dbraw/zinc/88/82/67/930888267.db2.gz VEWOQFLEFJDREW-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000470757996 930888270 /nfs/dbraw/zinc/88/82/70/930888270.db2.gz VEWOQFLEFJDREW-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000470757996 930888274 /nfs/dbraw/zinc/88/82/74/930888274.db2.gz VEWOQFLEFJDREW-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000470757995 930888408 /nfs/dbraw/zinc/88/84/08/930888408.db2.gz VEWOQFLEFJDREW-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000470757995 930888409 /nfs/dbraw/zinc/88/84/09/930888409.db2.gz VEWOQFLEFJDREW-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000470757995 930888414 /nfs/dbraw/zinc/88/84/14/930888414.db2.gz VEWOQFLEFJDREW-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470892461 931006227 /nfs/dbraw/zinc/00/62/27/931006227.db2.gz RZTUVMVQVCBTHB-RTWAWAEBSA-N 2 1 388.600 3.659 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000471091426 931143521 /nfs/dbraw/zinc/14/35/21/931143521.db2.gz SMYKRYZLYIRZQF-PZJWPPBQSA-N 2 1 398.551 3.626 20 0 GHADMP CC1(C)C[NH+](CCCCCCCCC[N@H+]2CC[C@@H](O)C(C)(C)C2)CC[C@H]1O ZINC000782580575 931275919 /nfs/dbraw/zinc/27/59/19/931275919.db2.gz YNDFOZBLEXMDDU-NHCUHLMSSA-N 2 1 382.633 3.903 20 0 GHADMP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000924529937 931411701 /nfs/dbraw/zinc/41/17/01/931411701.db2.gz UDDWVODHMWTTPR-SBUREZEXSA-N 2 1 383.511 3.646 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000783977212 931738140 /nfs/dbraw/zinc/73/81/40/931738140.db2.gz GYTHOCDHBKYIRD-QHCPKHFHSA-N 2 1 379.548 3.852 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000783977212 931738143 /nfs/dbraw/zinc/73/81/43/931738143.db2.gz GYTHOCDHBKYIRD-QHCPKHFHSA-N 2 1 379.548 3.852 20 0 GHADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cc[nH]c(=O)c1 ZINC000925687981 931878398 /nfs/dbraw/zinc/87/83/98/931878398.db2.gz DBYDPSJCBCZDAL-CEXWTWQISA-N 2 1 383.536 3.647 20 0 GHADMP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000925845697 931921256 /nfs/dbraw/zinc/92/12/56/931921256.db2.gz ZZDBPVWMKQTKPL-MAODMQOUSA-N 2 1 376.566 3.586 20 0 GHADMP C[C@@H](C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000796696104 932033276 /nfs/dbraw/zinc/03/32/76/932033276.db2.gz QWXRCSOALJGVIP-IRXDYDNUSA-N 2 1 376.545 3.623 20 0 GHADMP OC[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@H]1c1ccccc1 ZINC000558504822 932040489 /nfs/dbraw/zinc/04/04/89/932040489.db2.gz MWYNWOBLLGKVIJ-BJKOFHAPSA-N 2 1 382.523 3.588 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796741377 932049051 /nfs/dbraw/zinc/04/90/51/932049051.db2.gz COVUZACYEWZWMW-IAGOWNOFSA-N 2 1 376.545 3.622 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796741377 932049056 /nfs/dbraw/zinc/04/90/56/932049056.db2.gz COVUZACYEWZWMW-IAGOWNOFSA-N 2 1 376.545 3.622 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccnc2)cc1 ZINC000926128221 932058434 /nfs/dbraw/zinc/05/84/34/932058434.db2.gz ZUHONVWPFQWMDW-RPBOFIJWSA-N 2 1 387.527 3.836 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000796797351 932071344 /nfs/dbraw/zinc/07/13/44/932071344.db2.gz UHQXIBFXIGUDAA-ZJZGAYNASA-N 2 1 380.532 3.761 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796835618 932084566 /nfs/dbraw/zinc/08/45/66/932084566.db2.gz DEDIMNSUNRGWDV-ROUUACIJSA-N 2 1 390.572 3.869 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796835618 932084574 /nfs/dbraw/zinc/08/45/74/932084574.db2.gz DEDIMNSUNRGWDV-ROUUACIJSA-N 2 1 390.572 3.869 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976828 932132567 /nfs/dbraw/zinc/13/25/67/932132567.db2.gz FPCKUFLOTGDZMU-XXBNENTESA-N 2 1 375.520 3.830 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976824 932133275 /nfs/dbraw/zinc/13/32/75/932133275.db2.gz FPCKUFLOTGDZMU-CVDCTZTESA-N 2 1 375.520 3.830 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926662727 932265521 /nfs/dbraw/zinc/26/55/21/932265521.db2.gz SFBCTRKZBMYYSN-VYTWWXLVSA-N 2 1 391.559 3.938 20 0 GHADMP O=C(C[NH+]1CCCCCCC1)Nc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000777663143 932750171 /nfs/dbraw/zinc/75/01/71/932750171.db2.gz AWZBDQOOHITWLE-FGZHOGPDSA-N 2 1 384.568 3.930 20 0 GHADMP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177055 932898119 /nfs/dbraw/zinc/89/81/19/932898119.db2.gz JNVDDHUPHYQJAQ-INIZCTEOSA-N 2 1 395.950 3.634 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1(C)C ZINC000799726307 933100702 /nfs/dbraw/zinc/10/07/02/933100702.db2.gz NBCHLNBROKEMMB-GOSISDBHSA-N 2 1 383.552 3.994 20 0 GHADMP Cc1cccc(C(=O)NCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000560515001 933304209 /nfs/dbraw/zinc/30/42/09/933304209.db2.gz UWUYYQPWMIRECW-UHFFFAOYSA-N 2 1 379.548 3.758 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000929486687 933455183 /nfs/dbraw/zinc/45/51/83/933455183.db2.gz WRQSEQXCLCGBBJ-LOSJGSFVSA-N 2 1 396.575 3.705 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)c2)CC1 ZINC001116373362 933515750 /nfs/dbraw/zinc/51/57/50/933515750.db2.gz CGKBWJHNDTWRIG-ILBGXUMGSA-N 2 1 393.575 3.692 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccccc1 ZINC000929762411 933620029 /nfs/dbraw/zinc/62/00/29/933620029.db2.gz ILNTUDLJLLFBOT-QHCPKHFHSA-N 2 1 391.559 3.504 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001117712970 933992474 /nfs/dbraw/zinc/99/24/74/933992474.db2.gz DGBZHDGIKNOKKE-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001117712970 933992485 /nfs/dbraw/zinc/99/24/85/933992485.db2.gz DGBZHDGIKNOKKE-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001117712970 933992497 /nfs/dbraw/zinc/99/24/97/933992497.db2.gz DGBZHDGIKNOKKE-MBJRSGMTSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(c1ccccc1)c1ccccc1 ZINC000561332641 934059334 /nfs/dbraw/zinc/05/93/34/934059334.db2.gz NQETWTCEPTYXNV-UHFFFAOYSA-N 2 1 391.559 3.841 20 0 GHADMP CCOc1cc(C[NH2+]CC[C@H](C)[NH2+]C)cc(Br)c1OC(F)F ZINC001118020756 934078817 /nfs/dbraw/zinc/07/88/17/934078817.db2.gz XXLLJXSOOIJVQT-JTQLQIEISA-N 2 1 381.261 3.537 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC001118198605 934105946 /nfs/dbraw/zinc/10/59/46/934105946.db2.gz QJKAHDRZLJWRSL-HSZRJFAPSA-N 2 1 391.559 3.552 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095530 934375075 /nfs/dbraw/zinc/37/50/75/934375075.db2.gz WIFPRFQSHZDHGC-QLIIJSOBSA-N 2 1 379.495 3.666 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095530 934375086 /nfs/dbraw/zinc/37/50/86/934375086.db2.gz WIFPRFQSHZDHGC-QLIIJSOBSA-N 2 1 379.495 3.666 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)ccn1 ZINC000931095530 934375095 /nfs/dbraw/zinc/37/50/95/934375095.db2.gz WIFPRFQSHZDHGC-QLIIJSOBSA-N 2 1 379.495 3.666 20 0 GHADMP O=C(NCc1ccccc1Cn1ccnc1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000562247911 934785070 /nfs/dbraw/zinc/78/50/70/934785070.db2.gz MCLUOUZHOPTSJM-JOCHJYFZSA-N 2 1 395.551 3.528 20 0 GHADMP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001121997787 934800414 /nfs/dbraw/zinc/80/04/14/934800414.db2.gz IBXKOVUFARZNIV-HSZRJFAPSA-N 2 1 395.572 3.522 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001124390955 935382961 /nfs/dbraw/zinc/38/29/61/935382961.db2.gz LMEZFOZKMWOKJJ-PKTZIBPZSA-N 2 1 379.548 3.708 20 0 GHADMP CC(=O)Oc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001138048007 935952587 /nfs/dbraw/zinc/95/25/87/935952587.db2.gz HUUDGYJXHGLPBO-PKTZIBPZSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001138048007 935952589 /nfs/dbraw/zinc/95/25/89/935952589.db2.gz HUUDGYJXHGLPBO-PKTZIBPZSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001138048007 935952591 /nfs/dbraw/zinc/95/25/91/935952591.db2.gz HUUDGYJXHGLPBO-PKTZIBPZSA-N 2 1 378.516 3.956 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3C[NH+]4CCC3CC4)cccc2[C@H](c2ccccc2)C1 ZINC001182012561 1014968317 /nfs/dbraw/zinc/96/83/17/1014968317.db2.gz ZBMIWGTUOCUMJA-LEWJYISDSA-N 2 1 375.516 3.544 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000468014033 1015143115 /nfs/dbraw/zinc/14/31/15/1015143115.db2.gz NDVFUIXKGUXFFM-IYBDPMFKSA-N 2 1 397.485 3.659 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000468014033 1015143122 /nfs/dbraw/zinc/14/31/22/1015143122.db2.gz NDVFUIXKGUXFFM-IYBDPMFKSA-N 2 1 397.485 3.659 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000545473501 1015913345 /nfs/dbraw/zinc/91/33/45/1015913345.db2.gz MICQQFUDTAQABN-PIPMEXSNSA-N 2 1 399.966 3.627 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000469033569 1016357899 /nfs/dbraw/zinc/35/78/99/1016357899.db2.gz SOUMIHHUAZOFOL-FQEVSTJZSA-N 2 1 377.960 3.714 20 0 GHADMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1Cl ZINC001220919152 1032190933 /nfs/dbraw/zinc/19/09/33/1032190933.db2.gz VUZUEEXDRZVMNG-RDTXWAMCSA-N 2 1 384.351 3.907 20 0 GHADMP Cc1ccc(C[C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC001221010846 1032235009 /nfs/dbraw/zinc/23/50/09/1032235009.db2.gz RQMQWFOETJQIND-GOTSBHOMSA-N 2 1 393.575 3.590 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC001221012824 1032236176 /nfs/dbraw/zinc/23/61/76/1032236176.db2.gz CEKVIUWQOZPREK-PKOBYXMFSA-N 2 1 398.576 3.598 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001221062942 1032262312 /nfs/dbraw/zinc/26/23/12/1032262312.db2.gz GJFIPLJQSSCJCV-DEOSSOPVSA-N 2 1 391.559 3.623 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC001221074530 1032267733 /nfs/dbraw/zinc/26/77/33/1032267733.db2.gz PSMGYMAKEACZMP-APWZRJJASA-N 2 1 394.991 3.895 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C[NH+]1CCCCC1 ZINC001221251921 1032348814 /nfs/dbraw/zinc/34/88/14/1032348814.db2.gz DPHDGIYYPRNRCA-NHCUHLMSSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@H]([NH3+])c1ccc2c(ccn2-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c1 ZINC001155341186 1032510791 /nfs/dbraw/zinc/51/07/91/1032510791.db2.gz WDIDSVXJBWGWRB-KRWDZBQOSA-N 2 1 383.499 3.999 20 0 GHADMP [NH3+]CC1C[NH+]([C@H]2CCCN(c3cnc(-c4ccccc4)c(-c4ccccc4)n3)C2)C1 ZINC001155372712 1032524292 /nfs/dbraw/zinc/52/42/92/1032524292.db2.gz JGCCJILQICDHRD-QFIPXVFZSA-N 2 1 399.542 3.670 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H](C)[NH+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815490 1032543180 /nfs/dbraw/zinc/54/31/80/1032543180.db2.gz IDKAYZWXMRZWQU-DNVCBOLYSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815490 1032543182 /nfs/dbraw/zinc/54/31/82/1032543182.db2.gz IDKAYZWXMRZWQU-DNVCBOLYSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC001221815490 1032543187 /nfs/dbraw/zinc/54/31/87/1032543187.db2.gz IDKAYZWXMRZWQU-DNVCBOLYSA-N 2 1 380.964 3.505 20 0 GHADMP Cc1cc(N2CCCC2)nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)[nH+]1 ZINC001155629867 1032609517 /nfs/dbraw/zinc/60/95/17/1032609517.db2.gz KFKYFPZNEBTMSQ-ZZLPTCMGSA-N 2 1 393.579 3.785 20 0 GHADMP Cc1cc(N2CCCC2)nc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)[nH+]1 ZINC001155629867 1032609526 /nfs/dbraw/zinc/60/95/26/1032609526.db2.gz KFKYFPZNEBTMSQ-ZZLPTCMGSA-N 2 1 393.579 3.785 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC001204268547 1032711093 /nfs/dbraw/zinc/71/10/93/1032711093.db2.gz MBGQKPTVABIMAS-IBGZPJMESA-N 2 1 391.556 3.506 20 0 GHADMP O=C1CCCCN1CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560527218 1017653085 /nfs/dbraw/zinc/65/30/85/1017653085.db2.gz AUJBXJIBFTXROS-DNVJHFABSA-N 2 1 383.580 3.669 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000562162167 1018058425 /nfs/dbraw/zinc/05/84/25/1018058425.db2.gz QAHYFYVQYJBVCG-QFIPXVFZSA-N 2 1 398.551 3.580 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000562463258 1018178615 /nfs/dbraw/zinc/17/86/15/1018178615.db2.gz YSTMANFZSNHSOB-DEOSSOPVSA-N 2 1 393.575 4.000 20 0 GHADMP CC(C)[C@H]1N(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC12CCCCCC2 ZINC001228041561 1032749128 /nfs/dbraw/zinc/74/91/28/1032749128.db2.gz AFVSAEGHSKGGGX-PZJWPPBQSA-N 2 1 390.616 3.545 20 0 GHADMP CC(C)[C@H]1N(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041561 1032749143 /nfs/dbraw/zinc/74/91/43/1032749143.db2.gz AFVSAEGHSKGGGX-PZJWPPBQSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000562510478 1018248570 /nfs/dbraw/zinc/24/85/70/1018248570.db2.gz HJIKRHRYVJUWIM-ZEQRLZLVSA-N 2 1 396.575 3.935 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000562510475 1018248606 /nfs/dbraw/zinc/24/86/06/1018248606.db2.gz HJIKRHRYVJUWIM-BJKOFHAPSA-N 2 1 396.575 3.935 20 0 GHADMP Cc1ncn(C)c1Nc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001204330356 1032773464 /nfs/dbraw/zinc/77/34/64/1032773464.db2.gz KJDFACWKTFTCNQ-UHFFFAOYSA-N 2 1 385.512 3.525 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001228120470 1032796860 /nfs/dbraw/zinc/79/68/60/1032796860.db2.gz VXWVQFQFXPUGFD-JOCHJYFZSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000564933542 1019132245 /nfs/dbraw/zinc/13/22/45/1019132245.db2.gz BQOKNURZYDGRJT-BVYCBKJFSA-N 2 1 379.548 3.882 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1 ZINC000565244646 1019172128 /nfs/dbraw/zinc/17/21/28/1019172128.db2.gz GVVKBPRYERCTBE-JOCHJYFZSA-N 2 1 380.536 3.577 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000778550563 1019252266 /nfs/dbraw/zinc/25/22/66/1019252266.db2.gz COOJZICJLOXRBC-RRPUWOKSSA-N 2 1 377.532 3.601 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000778550563 1019252270 /nfs/dbraw/zinc/25/22/70/1019252270.db2.gz COOJZICJLOXRBC-RRPUWOKSSA-N 2 1 377.532 3.601 20 0 GHADMP C[NH+](CCC1CCOCC1)Cc1cncc(C[N@@H+](C)CCC2CCOCC2)c1 ZINC000567072520 1019265386 /nfs/dbraw/zinc/26/53/86/1019265386.db2.gz USQJFRGESQIMJA-UHFFFAOYSA-N 2 1 389.584 3.579 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994360 1019365916 /nfs/dbraw/zinc/36/59/16/1019365916.db2.gz KPTBXYLZAWCQRG-KRWDZBQOSA-N 2 1 389.540 3.978 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994360 1019365934 /nfs/dbraw/zinc/36/59/34/1019365934.db2.gz KPTBXYLZAWCQRG-KRWDZBQOSA-N 2 1 389.540 3.978 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccccc3F)C2)s1 ZINC000567994360 1019365950 /nfs/dbraw/zinc/36/59/50/1019365950.db2.gz KPTBXYLZAWCQRG-KRWDZBQOSA-N 2 1 389.540 3.978 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001155997463 1032830236 /nfs/dbraw/zinc/83/02/36/1032830236.db2.gz CAQWWUVRFOWOSB-QFIPXVFZSA-N 2 1 378.520 3.774 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[NH+](CC)CC)cc1 ZINC000571576648 1019687135 /nfs/dbraw/zinc/68/71/35/1019687135.db2.gz OSIVZGNLWFRBQV-IRLDBZIGSA-N 2 1 382.552 3.516 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779057472 1020342635 /nfs/dbraw/zinc/34/26/35/1020342635.db2.gz JHQSBGHIKMAKLT-GIVPXCGWSA-N 2 1 387.568 3.711 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779057474 1020342972 /nfs/dbraw/zinc/34/29/72/1020342972.db2.gz JHQSBGHIKMAKLT-HLAWJBBLSA-N 2 1 387.568 3.711 20 0 GHADMP CC(=O)Nc1cccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000631036702 1020850779 /nfs/dbraw/zinc/85/07/79/1020850779.db2.gz AJMVEPSPTUODND-HDICACEKSA-N 2 1 381.520 3.544 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCC3)CC2 ZINC001203028427 1021492536 /nfs/dbraw/zinc/49/25/36/1021492536.db2.gz LQDHCVPURRJDDH-DEOSSOPVSA-N 2 1 391.559 3.826 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523676 1021915648 /nfs/dbraw/zinc/91/56/48/1021915648.db2.gz SYNAGJAUDPMDNU-VDGAXYAQSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)s1 ZINC001140523676 1021915653 /nfs/dbraw/zinc/91/56/53/1021915653.db2.gz SYNAGJAUDPMDNU-VDGAXYAQSA-N 2 1 399.560 3.662 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001140619578 1022089022 /nfs/dbraw/zinc/08/90/22/1022089022.db2.gz YCNYUHBJKQLUDJ-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001140619578 1022089036 /nfs/dbraw/zinc/08/90/36/1022089036.db2.gz YCNYUHBJKQLUDJ-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001140619578 1022089052 /nfs/dbraw/zinc/08/90/52/1022089052.db2.gz YCNYUHBJKQLUDJ-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001140619578 1022089065 /nfs/dbraw/zinc/08/90/65/1022089065.db2.gz YCNYUHBJKQLUDJ-QFIPXVFZSA-N 2 1 379.548 3.779 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001140653726 1022168247 /nfs/dbraw/zinc/16/82/47/1022168247.db2.gz AOAPODKAYRLZBU-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001140653726 1022168254 /nfs/dbraw/zinc/16/82/54/1022168254.db2.gz AOAPODKAYRLZBU-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001140653726 1022168264 /nfs/dbraw/zinc/16/82/64/1022168264.db2.gz AOAPODKAYRLZBU-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001140653726 1022168270 /nfs/dbraw/zinc/16/82/70/1022168270.db2.gz AOAPODKAYRLZBU-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C)c1O ZINC001140655180 1022180500 /nfs/dbraw/zinc/18/05/00/1022180500.db2.gz BJBMHZZBCHXOCY-FSSWDIPSSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C)c1O ZINC001140655180 1022180514 /nfs/dbraw/zinc/18/05/14/1022180514.db2.gz BJBMHZZBCHXOCY-FSSWDIPSSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc(C)c1O ZINC001140655180 1022180536 /nfs/dbraw/zinc/18/05/36/1022180536.db2.gz BJBMHZZBCHXOCY-FSSWDIPSSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc(C)c1O ZINC001140655180 1022180556 /nfs/dbraw/zinc/18/05/56/1022180556.db2.gz BJBMHZZBCHXOCY-FSSWDIPSSA-N 2 1 382.552 3.579 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccc1N)CC2 ZINC001140713942 1022346930 /nfs/dbraw/zinc/34/69/30/1022346930.db2.gz IIICHNFKBCVBRL-GOSISDBHSA-N 2 1 389.927 3.771 20 0 GHADMP Cn1cnc2ccc(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc21 ZINC001140737219 1022395413 /nfs/dbraw/zinc/39/54/13/1022395413.db2.gz JGDMAOSWRRYWGH-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP CC(C)(C)OC(=O)c1cc(F)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001204741780 1033058099 /nfs/dbraw/zinc/05/80/99/1033058099.db2.gz BJSRBNXHCFOPPV-UHFFFAOYSA-N 2 1 380.479 3.886 20 0 GHADMP CC(C)(C)OC(=O)c1cc(F)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(F)c1 ZINC001204741780 1033058115 /nfs/dbraw/zinc/05/81/15/1033058115.db2.gz BJSRBNXHCFOPPV-UHFFFAOYSA-N 2 1 380.479 3.886 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141000227 1023137944 /nfs/dbraw/zinc/13/79/44/1023137944.db2.gz WVNFVEYGRSWIHW-CVDCTZTESA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141000227 1023137958 /nfs/dbraw/zinc/13/79/58/1023137958.db2.gz WVNFVEYGRSWIHW-CVDCTZTESA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141000227 1023137970 /nfs/dbraw/zinc/13/79/70/1023137970.db2.gz WVNFVEYGRSWIHW-CVDCTZTESA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3ccccn3)s1)C2 ZINC001141000227 1023137973 /nfs/dbraw/zinc/13/79/73/1023137973.db2.gz WVNFVEYGRSWIHW-CVDCTZTESA-N 2 1 397.588 3.990 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141018853 1023221576 /nfs/dbraw/zinc/22/15/76/1023221576.db2.gz NJESDHKUJJUXLJ-IAGOWNOFSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141018853 1023221585 /nfs/dbraw/zinc/22/15/85/1023221585.db2.gz NJESDHKUJJUXLJ-IAGOWNOFSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001141018853 1023221600 /nfs/dbraw/zinc/22/16/00/1023221600.db2.gz NJESDHKUJJUXLJ-IAGOWNOFSA-N 2 1 378.442 3.773 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@H]21 ZINC001141040534 1023361808 /nfs/dbraw/zinc/36/18/08/1023361808.db2.gz KSMPORZEUMVJAE-KSEOMHKRSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@H]21 ZINC001141040534 1023361812 /nfs/dbraw/zinc/36/18/12/1023361812.db2.gz KSMPORZEUMVJAE-KSEOMHKRSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@H]21 ZINC001141040534 1023361820 /nfs/dbraw/zinc/36/18/20/1023361820.db2.gz KSMPORZEUMVJAE-KSEOMHKRSA-N 2 1 393.531 3.585 20 0 GHADMP CCCCc1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c[nH]1 ZINC001141070391 1023422494 /nfs/dbraw/zinc/42/24/94/1023422494.db2.gz DENKNSZOAULHSG-UHFFFAOYSA-N 2 1 396.579 3.928 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC001204938897 1033177201 /nfs/dbraw/zinc/17/72/01/1033177201.db2.gz UNHGWTROBYZHNI-VLCRHTCISA-N 2 1 381.520 3.500 20 0 GHADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001141228695 1024214936 /nfs/dbraw/zinc/21/49/36/1024214936.db2.gz JPUWMOQPKVBZQH-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522732 1024615909 /nfs/dbraw/zinc/61/59/09/1024615909.db2.gz VHCCPDQLMBYNLZ-VQTJNVASSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522732 1024615913 /nfs/dbraw/zinc/61/59/13/1024615913.db2.gz VHCCPDQLMBYNLZ-VQTJNVASSA-N 2 1 389.902 3.892 20 0 GHADMP CCc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)c[nH]c21 ZINC001138360862 1024724672 /nfs/dbraw/zinc/72/46/72/1024724672.db2.gz IJVUNZIGOIANJZ-UHFFFAOYSA-N 2 1 377.536 3.581 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(-c4ccsc4)c3)CC[C@@H]21 ZINC001141381664 1024798092 /nfs/dbraw/zinc/79/80/92/1024798092.db2.gz MOBCGCBTQYBFDT-FSSWDIPSSA-N 2 1 393.560 3.601 20 0 GHADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3cccc(-c4ccsc4)c3)CC[C@@H]21 ZINC001141381664 1024798107 /nfs/dbraw/zinc/79/81/07/1024798107.db2.gz MOBCGCBTQYBFDT-FSSWDIPSSA-N 2 1 393.560 3.601 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cccc(-c4ccsc4)c3)CC[C@@H]21 ZINC001141381664 1024798118 /nfs/dbraw/zinc/79/81/18/1024798118.db2.gz MOBCGCBTQYBFDT-FSSWDIPSSA-N 2 1 393.560 3.601 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3cccc(-c4ccsc4)c3)CC[C@@H]21 ZINC001141381664 1024798129 /nfs/dbraw/zinc/79/81/29/1024798129.db2.gz MOBCGCBTQYBFDT-FSSWDIPSSA-N 2 1 393.560 3.601 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001138486107 1024916603 /nfs/dbraw/zinc/91/66/03/1024916603.db2.gz HLEGGFGKDIPTOD-FQEVSTJZSA-N 2 1 384.520 3.852 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC001138550334 1024998753 /nfs/dbraw/zinc/99/87/53/1024998753.db2.gz PVTTYXGFVKSIQO-UHFFFAOYSA-N 2 1 392.478 3.714 20 0 GHADMP COc1ccc(-c2cccc(C[NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)c2)cc1 ZINC001138616292 1025107524 /nfs/dbraw/zinc/10/75/24/1025107524.db2.gz VFIMZLXBNRLDTA-UHFFFAOYSA-N 2 1 379.504 3.992 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC001202861319 1025282888 /nfs/dbraw/zinc/28/28/88/1025282888.db2.gz ZPYAOSNDDPMOTF-DENIHFKCSA-N 2 1 388.939 3.975 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC001138769344 1025338950 /nfs/dbraw/zinc/33/89/50/1025338950.db2.gz NCPRTTHEQRHPDJ-UHFFFAOYSA-N 2 1 396.560 3.559 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](c2ccccc2)C1 ZINC001138772347 1025341245 /nfs/dbraw/zinc/34/12/45/1025341245.db2.gz ZYQJPXAQZCEEKK-FYYLOGMGSA-N 2 1 396.531 3.753 20 0 GHADMP COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138771845 1025342140 /nfs/dbraw/zinc/34/21/40/1025342140.db2.gz GYHSITIGAZQSEW-LJQANCHMSA-N 2 1 384.520 3.581 20 0 GHADMP COc1cccc([C@H]2CSCC[N@@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138773306 1025345384 /nfs/dbraw/zinc/34/53/84/1025345384.db2.gz ALAPWGJGSXRDDL-JOCHJYFZSA-N 2 1 386.561 3.926 20 0 GHADMP COc1cccc([C@H]2CSCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001138773306 1025345397 /nfs/dbraw/zinc/34/53/97/1025345397.db2.gz ALAPWGJGSXRDDL-JOCHJYFZSA-N 2 1 386.561 3.926 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257602 1025379194 /nfs/dbraw/zinc/37/91/94/1025379194.db2.gz KEAQMUOYUPUKGZ-RTBURBONSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257602 1025379214 /nfs/dbraw/zinc/37/92/14/1025379214.db2.gz KEAQMUOYUPUKGZ-RTBURBONSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2)N(C)C)CC1 ZINC001141544507 1025451322 /nfs/dbraw/zinc/45/13/22/1025451322.db2.gz QFJQPAQINZUBKN-JOCHJYFZSA-N 2 1 399.966 3.986 20 0 GHADMP CCS(=O)(=O)CC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000839082107 1025578632 /nfs/dbraw/zinc/57/86/32/1025578632.db2.gz OXTOPIWOCUHPOQ-QFIPXVFZSA-N 2 1 392.609 3.578 20 0 GHADMP CCS(=O)(=O)CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000839082107 1025578638 /nfs/dbraw/zinc/57/86/38/1025578638.db2.gz OXTOPIWOCUHPOQ-QFIPXVFZSA-N 2 1 392.609 3.578 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NC[C@@H]3C[C@H](F)C[NH2+]3)c2c1C ZINC001162475903 1025761793 /nfs/dbraw/zinc/76/17/93/1025761793.db2.gz IXPLUWKHZPIRNC-HOTGVXAUSA-N 2 1 391.560 3.652 20 0 GHADMP Brc1c[nH]nc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139027268 1025792189 /nfs/dbraw/zinc/79/21/89/1025792189.db2.gz SRWWRIOHKJDEHS-DLBZAZTESA-N 2 1 389.341 3.516 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139027268 1025792206 /nfs/dbraw/zinc/79/22/06/1025792206.db2.gz SRWWRIOHKJDEHS-DLBZAZTESA-N 2 1 389.341 3.516 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001139027268 1025792222 /nfs/dbraw/zinc/79/22/22/1025792222.db2.gz SRWWRIOHKJDEHS-DLBZAZTESA-N 2 1 389.341 3.516 20 0 GHADMP CCn1ccc2ccc(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)cc21 ZINC001139122728 1025935391 /nfs/dbraw/zinc/93/53/91/1025935391.db2.gz QJCZHEDAUIRIMW-ISKFKSNPSA-N 2 1 381.564 3.842 20 0 GHADMP CCn1ccc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](C)C[C@@H]4COCC3CC3)cc21 ZINC001139122728 1025935397 /nfs/dbraw/zinc/93/53/97/1025935397.db2.gz QJCZHEDAUIRIMW-ISKFKSNPSA-N 2 1 381.564 3.842 20 0 GHADMP CCn1ccc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)cc21 ZINC001139122728 1025935402 /nfs/dbraw/zinc/93/54/02/1025935402.db2.gz QJCZHEDAUIRIMW-ISKFKSNPSA-N 2 1 381.564 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4cnccc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940133 1025976738 /nfs/dbraw/zinc/97/67/38/1025976738.db2.gz AFUGRNMIQLRGBF-OAQYLSRUSA-N 2 1 387.531 3.544 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cccc4c3COC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940706 1025977502 /nfs/dbraw/zinc/97/75/02/1025977502.db2.gz KSPQVDGBEPYHOE-NRFANRHFSA-N 2 1 377.532 3.631 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CCN(Cc2ccc4c(ccn4C)c2)CC3)cn1 ZINC001139190666 1026027833 /nfs/dbraw/zinc/02/78/33/1026027833.db2.gz XJYPJOJZGMDSMP-UHFFFAOYSA-N 2 1 377.536 3.542 20 0 GHADMP COc1ccc(OC)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277237 1026126031 /nfs/dbraw/zinc/12/60/31/1026126031.db2.gz PMKWXAIGYUAJDS-VQTJNVASSA-N 2 1 395.547 3.630 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277237 1026126042 /nfs/dbraw/zinc/12/60/42/1026126042.db2.gz PMKWXAIGYUAJDS-VQTJNVASSA-N 2 1 395.547 3.630 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1N ZINC001139277237 1026126055 /nfs/dbraw/zinc/12/60/55/1026126055.db2.gz PMKWXAIGYUAJDS-VQTJNVASSA-N 2 1 395.547 3.630 20 0 GHADMP OC1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)s2)CC1 ZINC001139292921 1026144360 /nfs/dbraw/zinc/14/43/60/1026144360.db2.gz BYJGSPKRCKOXNX-GOSISDBHSA-N 2 1 377.598 3.550 20 0 GHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304876 1026157827 /nfs/dbraw/zinc/15/78/27/1026157827.db2.gz RHJXSOXGGHJYPW-LJQANCHMSA-N 2 1 377.941 3.903 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304876 1026157831 /nfs/dbraw/zinc/15/78/31/1026157831.db2.gz RHJXSOXGGHJYPW-LJQANCHMSA-N 2 1 377.941 3.903 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304876 1026157840 /nfs/dbraw/zinc/15/78/40/1026157840.db2.gz RHJXSOXGGHJYPW-LJQANCHMSA-N 2 1 377.941 3.903 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C2)C1 ZINC001139304876 1026157845 /nfs/dbraw/zinc/15/78/45/1026157845.db2.gz RHJXSOXGGHJYPW-LJQANCHMSA-N 2 1 377.941 3.903 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](c4ccccc4Cl)C3)s2)CC1 ZINC001139324826 1026184100 /nfs/dbraw/zinc/18/41/00/1026184100.db2.gz QQTXODPNFMIVPN-HNNXBMFYSA-N 2 1 376.957 3.538 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](c4ccccc4Cl)C3)s2)CC1 ZINC001139324826 1026184103 /nfs/dbraw/zinc/18/41/03/1026184103.db2.gz QQTXODPNFMIVPN-HNNXBMFYSA-N 2 1 376.957 3.538 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cn1C ZINC001139376406 1026247516 /nfs/dbraw/zinc/24/75/16/1026247516.db2.gz QSYQXPCAWKVHLB-UHFFFAOYSA-N 2 1 395.547 3.690 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC001141722256 1026339459 /nfs/dbraw/zinc/33/94/59/1026339459.db2.gz WDRCDDUCTUEOCU-MZKRTTBSSA-N 2 1 385.596 3.903 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC001141722256 1026339472 /nfs/dbraw/zinc/33/94/72/1026339472.db2.gz WDRCDDUCTUEOCU-MZKRTTBSSA-N 2 1 385.596 3.903 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC001141722256 1026339485 /nfs/dbraw/zinc/33/94/85/1026339485.db2.gz WDRCDDUCTUEOCU-MZKRTTBSSA-N 2 1 385.596 3.903 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cn(Cc4ccccc4)nn3)CC2)CC1 ZINC001139492472 1026351296 /nfs/dbraw/zinc/35/12/96/1026351296.db2.gz JXZNOIQOKPLOFX-UHFFFAOYSA-N 2 1 381.568 3.660 20 0 GHADMP F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512881 1026368269 /nfs/dbraw/zinc/36/82/69/1026368269.db2.gz JZFZVBIRQUOKHU-VABKMULXSA-N 2 1 379.523 3.941 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001139515020 1026371258 /nfs/dbraw/zinc/37/12/58/1026371258.db2.gz COQLDXZDOMIUOM-LEWJYISDSA-N 2 1 379.548 3.618 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)CO1 ZINC001139515020 1026371276 /nfs/dbraw/zinc/37/12/76/1026371276.db2.gz COQLDXZDOMIUOM-LEWJYISDSA-N 2 1 379.548 3.618 20 0 GHADMP [NH3+][C@@H]1CCN(Cc2cccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)C1 ZINC001164499953 1026536638 /nfs/dbraw/zinc/53/66/38/1026536638.db2.gz WCUDIYFXKQXFSL-WREZULKGSA-N 2 1 390.575 3.542 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)o1 ZINC001204391272 1026575109 /nfs/dbraw/zinc/57/51/09/1026575109.db2.gz PJBCWSKPRYNZAR-FQEVSTJZSA-N 2 1 383.536 3.740 20 0 GHADMP c1ccc(C2CC2)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001139881900 1026697607 /nfs/dbraw/zinc/69/76/07/1026697607.db2.gz DHEMEADVLUYTDH-ISKFKSNPSA-N 2 1 377.532 3.682 20 0 GHADMP c1ccc(C2CC2)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001139881900 1026697643 /nfs/dbraw/zinc/69/76/43/1026697643.db2.gz DHEMEADVLUYTDH-ISKFKSNPSA-N 2 1 377.532 3.682 20 0 GHADMP CC[NH+](CC)Cc1cc(OC)ccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001165412376 1026720189 /nfs/dbraw/zinc/72/01/89/1026720189.db2.gz IOOGPWMMPJKNOB-UHFFFAOYSA-N 2 1 397.563 3.981 20 0 GHADMP CCOC[C@H]1CN(Cc2ccccc2-n2ccnc2C)Cc2cnn(CC)c21 ZINC001140025165 1026811319 /nfs/dbraw/zinc/81/13/19/1026811319.db2.gz MVEFTFZDHSLAAU-HXUWFJFHSA-N 2 1 379.508 3.533 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CCC4(CC[N@@H+](Cc5ccoc5)C4)CC3)c2c1 ZINC001140067755 1026847146 /nfs/dbraw/zinc/84/71/46/1026847146.db2.gz SHNOZBCJWWFEFW-UHFFFAOYSA-N 2 1 380.492 3.653 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CCC4(CC[N@H+](Cc5ccoc5)C4)CC3)c2c1 ZINC001140067755 1026847149 /nfs/dbraw/zinc/84/71/49/1026847149.db2.gz SHNOZBCJWWFEFW-UHFFFAOYSA-N 2 1 380.492 3.653 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CCC4(CC[N@@H+](Cc5ccoc5)C4)CC3)c2c1 ZINC001140067755 1026847160 /nfs/dbraw/zinc/84/71/60/1026847160.db2.gz SHNOZBCJWWFEFW-UHFFFAOYSA-N 2 1 380.492 3.653 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)c2cccs2)CC1 ZINC000834353091 1026946207 /nfs/dbraw/zinc/94/62/07/1026946207.db2.gz BVEOOKWHPKZTTN-YADHBBJMSA-N 2 1 395.572 3.513 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461171679 1069424435 /nfs/dbraw/zinc/42/44/35/1069424435.db2.gz OSBMRNCOFKWTFY-CABCVRRESA-N 2 1 381.483 3.542 20 0 GHADMP O=C1[C@H](C2CC2)[C@@H](C2CC2)N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000840076505 1027148210 /nfs/dbraw/zinc/14/82/10/1027148210.db2.gz OEYWWZXQNMOGCQ-DHIUTWEWSA-N 2 1 393.575 3.579 20 0 GHADMP CC1(C)C[N@@H+](CN2C(=O)CC23CCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000840106866 1027198159 /nfs/dbraw/zinc/19/81/59/1027198159.db2.gz JANHSHJSKLXPPM-JOCHJYFZSA-N 2 1 381.564 3.722 20 0 GHADMP CCc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)on1 ZINC001203217933 1027235596 /nfs/dbraw/zinc/23/55/96/1027235596.db2.gz LOQAXAFGQORQHF-KRWDZBQOSA-N 2 1 375.538 3.554 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001461223398 1069450384 /nfs/dbraw/zinc/45/03/84/1069450384.db2.gz BQZPAVLEGBRPJF-AWEZNQCLSA-N 2 1 399.398 3.762 20 0 GHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000840242148 1027372473 /nfs/dbraw/zinc/37/24/73/1027372473.db2.gz WXMGEJSLRBAOJU-QFIPXVFZSA-N 2 1 388.552 3.509 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c(C)c1 ZINC001203744373 1027565309 /nfs/dbraw/zinc/56/53/09/1027565309.db2.gz DPGPWYSVNXXFSY-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c(C)c1 ZINC001203744373 1027565321 /nfs/dbraw/zinc/56/53/21/1027565321.db2.gz DPGPWYSVNXXFSY-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c(C)c1 ZINC001203744373 1027565324 /nfs/dbraw/zinc/56/53/24/1027565324.db2.gz DPGPWYSVNXXFSY-ISKFKSNPSA-N 2 1 379.548 3.730 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(Oc4ccccc4)c3)CC[C@@H]2C1 ZINC001203809877 1027624985 /nfs/dbraw/zinc/62/49/85/1027624985.db2.gz DNXAHBORZUQVSZ-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(Oc4ccccc4)c3)CC[C@@H]2C1 ZINC001203809877 1027624994 /nfs/dbraw/zinc/62/49/94/1027624994.db2.gz DNXAHBORZUQVSZ-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(Oc4ccccc4)c3)CC[C@@H]2C1 ZINC001203809877 1027625001 /nfs/dbraw/zinc/62/50/01/1027625001.db2.gz DNXAHBORZUQVSZ-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)c2)CC1 ZINC001210806608 1027657598 /nfs/dbraw/zinc/65/75/98/1027657598.db2.gz IFEMSFXIJFSWII-QHCPKHFHSA-N 2 1 398.595 3.735 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc(OC)c1 ZINC001203855508 1027662768 /nfs/dbraw/zinc/66/27/68/1027662768.db2.gz RPRWKJQALUSYPJ-UHFFFAOYSA-N 2 1 395.547 3.975 20 0 GHADMP C[NH+](C)C1(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCC1 ZINC001210826080 1027665252 /nfs/dbraw/zinc/66/52/52/1027665252.db2.gz FBCABRFWHGGFQF-QHCPKHFHSA-N 2 1 398.595 3.559 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203891393 1027685553 /nfs/dbraw/zinc/68/55/53/1027685553.db2.gz XPTOHISLLRBUOQ-QHCPKHFHSA-N 2 1 386.580 3.725 20 0 GHADMP CCC(CC)[NH2+]CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001210978575 1027734520 /nfs/dbraw/zinc/73/45/20/1027734520.db2.gz WJOUBQRBBPOFRM-KDURUIRLSA-N 2 1 388.600 3.742 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(Oc4ccccc4)cc3)CC[C@@H]2C1 ZINC001203946363 1027741941 /nfs/dbraw/zinc/74/19/41/1027741941.db2.gz LLFOXOHKAVYKDV-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(Oc4ccccc4)cc3)CC[C@@H]2C1 ZINC001203946363 1027741962 /nfs/dbraw/zinc/74/19/62/1027741962.db2.gz LLFOXOHKAVYKDV-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)cc3)CC[C@@H]2C1 ZINC001203946363 1027741981 /nfs/dbraw/zinc/74/19/81/1027741981.db2.gz LLFOXOHKAVYKDV-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001203973194 1027774957 /nfs/dbraw/zinc/77/49/57/1027774957.db2.gz UGBFQJKDZDWHLD-UHFFFAOYSA-N 2 1 382.552 3.716 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000840776978 1027816147 /nfs/dbraw/zinc/81/61/47/1027816147.db2.gz QTOSGBFVEVEHNX-NVTYJINKSA-N 2 1 391.600 3.778 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000840864185 1027900303 /nfs/dbraw/zinc/90/03/03/1027900303.db2.gz GWUNULJGGSZLEX-CVDCTZTESA-N 2 1 395.547 3.792 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4[nH]cnc4C(C)(C)C)CC3)C2)cc1 ZINC001142222857 1028411929 /nfs/dbraw/zinc/41/19/29/1028411929.db2.gz XYIQWDVYWRARNT-UHFFFAOYSA-N 2 1 396.579 3.883 20 0 GHADMP C[C@H](CC[NH2+]Cc1ccc(I)s1)[NH+]1CCCCC1 ZINC001461431693 1069547297 /nfs/dbraw/zinc/54/72/97/1069547297.db2.gz QGBJMDSNSDPHMK-GFCCVEGCSA-N 2 1 378.323 3.707 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183099917 1029240612 /nfs/dbraw/zinc/24/06/12/1029240612.db2.gz IWOQUABQHVTPOL-QYZOEREBSA-N 2 1 379.589 3.876 20 0 GHADMP [NH3+]Cc1cccc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)c1 ZINC001215496959 1029241049 /nfs/dbraw/zinc/24/10/49/1029241049.db2.gz QSYNPOCJSZSDBO-LJQANCHMSA-N 2 1 375.407 3.734 20 0 GHADMP c1cc2c(nccc2C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)[nH]1 ZINC001142875129 1029622414 /nfs/dbraw/zinc/62/24/14/1029622414.db2.gz XPMPSRYVNVSKFD-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2c(nccc2C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)[nH]1 ZINC001142875129 1029622423 /nfs/dbraw/zinc/62/24/23/1029622423.db2.gz XPMPSRYVNVSKFD-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001143151828 1029870429 /nfs/dbraw/zinc/87/04/29/1029870429.db2.gz AEFTWOFCMCFCDM-HXUWFJFHSA-N 2 1 384.520 3.852 20 0 GHADMP c1sc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c2c1OCCO2 ZINC001143191265 1029895093 /nfs/dbraw/zinc/89/50/93/1029895093.db2.gz ZAXPVLOHGPISDO-XKGFGPFHSA-N 2 1 386.561 3.914 20 0 GHADMP c1sc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c2c1OCCO2 ZINC001143191265 1029895111 /nfs/dbraw/zinc/89/51/11/1029895111.db2.gz ZAXPVLOHGPISDO-XKGFGPFHSA-N 2 1 386.561 3.914 20 0 GHADMP c1sc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c2c1OCCO2 ZINC001143191265 1029895129 /nfs/dbraw/zinc/89/51/29/1029895129.db2.gz ZAXPVLOHGPISDO-XKGFGPFHSA-N 2 1 386.561 3.914 20 0 GHADMP c1sc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2c1OCCO2 ZINC001143191265 1029895150 /nfs/dbraw/zinc/89/51/50/1029895150.db2.gz ZAXPVLOHGPISDO-XKGFGPFHSA-N 2 1 386.561 3.914 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc3cccnc3[nH]1)CC2 ZINC001143215136 1029918546 /nfs/dbraw/zinc/91/85/46/1029918546.db2.gz XHUZLZVSQVWHJL-LJQANCHMSA-N 2 1 396.560 3.880 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(Cl)c1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222095406 1029962987 /nfs/dbraw/zinc/96/29/87/1029962987.db2.gz RQGXOCKVZDLOHM-UHFFFAOYSA-N 2 1 382.257 3.540 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)s2)c1 ZINC001222105230 1029966541 /nfs/dbraw/zinc/96/65/41/1029966541.db2.gz XDYOUJYKLIACKK-UHFFFAOYSA-N 2 1 395.494 3.961 20 0 GHADMP c1[nH]c2c(cccc2OCc2ccccc2)c1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181340 1029990296 /nfs/dbraw/zinc/99/02/96/1029990296.db2.gz CADAYBZESBQZHB-UHFFFAOYSA-N 2 1 391.515 3.701 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(OCc3ccccc3F)cc1)CCO2 ZINC000843432277 1030004702 /nfs/dbraw/zinc/00/47/02/1030004702.db2.gz UNEORWFOJOFYRZ-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(OCc3ccccc3F)cc1)CCO2 ZINC000843432277 1030004724 /nfs/dbraw/zinc/00/47/24/1030004724.db2.gz UNEORWFOJOFYRZ-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CC[C@@H](C)CCCC(C)(C)OC)CC[NH2+]CC2 ZINC001222215385 1030012014 /nfs/dbraw/zinc/01/20/14/1030012014.db2.gz DGMSBQJPMPVMIA-RBUKOAKNSA-N 2 1 382.589 3.615 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cccc(-c3ccsc3)c1)CC[NH2+]CC2 ZINC001222225995 1030020485 /nfs/dbraw/zinc/02/04/85/1030020485.db2.gz LIKIZENZQSZKGQ-HXUWFJFHSA-N 2 1 384.545 3.922 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@@H+]1Cc1cc(-c3ccsc3)cs1)CC[NH2+]CC2 ZINC001222225435 1030020536 /nfs/dbraw/zinc/02/05/36/1030020536.db2.gz DJRKSGMVGGBFNM-SFHVURJKSA-N 2 1 390.574 3.984 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(-c3ccsc3)cs1)CC[NH2+]CC2 ZINC001222225435 1030020555 /nfs/dbraw/zinc/02/05/55/1030020555.db2.gz DJRKSGMVGGBFNM-SFHVURJKSA-N 2 1 390.574 3.984 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001143326213 1030035340 /nfs/dbraw/zinc/03/53/40/1030035340.db2.gz GLOSGFJLXWYRSG-HSZRJFAPSA-N 2 1 397.538 3.900 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001143326213 1030035354 /nfs/dbraw/zinc/03/53/54/1030035354.db2.gz GLOSGFJLXWYRSG-HSZRJFAPSA-N 2 1 397.538 3.900 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001149206251 1030092193 /nfs/dbraw/zinc/09/21/93/1030092193.db2.gz PWRLHFDYDOZFPT-SSGKUCQKSA-N 2 1 397.607 3.770 20 0 GHADMP FC(F)(F)c1cnc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c(Br)c1 ZINC001222457169 1030143790 /nfs/dbraw/zinc/14/37/90/1030143790.db2.gz CCLJXJRCJMIQDH-UHFFFAOYSA-N 2 1 392.263 3.829 20 0 GHADMP C[NH+](C)CC1(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CCCC1 ZINC001222573564 1030202829 /nfs/dbraw/zinc/20/28/29/1030202829.db2.gz BDTMGXDACMSTIR-QHCPKHFHSA-N 3 1 399.623 3.912 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CCCC1 ZINC001222573564 1030202844 /nfs/dbraw/zinc/20/28/44/1030202844.db2.gz BDTMGXDACMSTIR-QHCPKHFHSA-N 3 1 399.623 3.912 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001222577307 1030206901 /nfs/dbraw/zinc/20/69/01/1030206901.db2.gz XVXCKSBJFHNASU-QFIPXVFZSA-N 3 1 385.596 3.522 20 0 GHADMP CCCn1ncc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222583572 1030211350 /nfs/dbraw/zinc/21/13/50/1030211350.db2.gz PLPYNRAHZBWXQD-HSZRJFAPSA-N 2 1 396.579 3.905 20 0 GHADMP CCCn1ncc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222583572 1030211367 /nfs/dbraw/zinc/21/13/67/1030211367.db2.gz PLPYNRAHZBWXQD-HSZRJFAPSA-N 2 1 396.579 3.905 20 0 GHADMP Nc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1F ZINC001222590349 1030215369 /nfs/dbraw/zinc/21/53/69/1030215369.db2.gz HQTNJVMBIXMJOQ-HXUWFJFHSA-N 2 1 383.511 3.711 20 0 GHADMP Nc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1F ZINC001222590349 1030215385 /nfs/dbraw/zinc/21/53/85/1030215385.db2.gz HQTNJVMBIXMJOQ-HXUWFJFHSA-N 2 1 383.511 3.711 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595676 1030221281 /nfs/dbraw/zinc/22/12/81/1030221281.db2.gz GMOFTVGMSOCDEJ-LADGPHEKSA-N 2 1 375.560 3.588 20 0 GHADMP COc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601827 1030226466 /nfs/dbraw/zinc/22/64/66/1030226466.db2.gz APOXGLPNBXEIDC-GOSISDBHSA-N 2 1 376.422 3.903 20 0 GHADMP COc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222601827 1030226477 /nfs/dbraw/zinc/22/64/77/1030226477.db2.gz APOXGLPNBXEIDC-GOSISDBHSA-N 2 1 376.422 3.903 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OCC1CC1 ZINC001222602418 1030227855 /nfs/dbraw/zinc/22/78/55/1030227855.db2.gz PTXSAKBZZRLXIW-OAQYLSRUSA-N 2 1 378.516 3.673 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OCC1CC1 ZINC001222602418 1030227867 /nfs/dbraw/zinc/22/78/67/1030227867.db2.gz PTXSAKBZZRLXIW-OAQYLSRUSA-N 2 1 378.516 3.673 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1C(F)(F)F ZINC001222609778 1030234175 /nfs/dbraw/zinc/23/41/75/1030234175.db2.gz QVSNFVQMYXXQPL-SFHVURJKSA-N 2 1 376.422 3.903 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1C(F)(F)F ZINC001222609778 1030234189 /nfs/dbraw/zinc/23/41/89/1030234189.db2.gz QVSNFVQMYXXQPL-SFHVURJKSA-N 2 1 376.422 3.903 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC001223279207 1030502920 /nfs/dbraw/zinc/50/29/20/1030502920.db2.gz NNZAPLMVKSAWMR-UHFFFAOYSA-N 2 1 386.584 3.513 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217846941 1030661454 /nfs/dbraw/zinc/66/14/54/1030661454.db2.gz DKIFZKWOJAKAQS-YADHBBJMSA-N 2 1 386.580 3.853 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(-c3ccsc3)cs2)C1=O ZINC001276907007 1030674189 /nfs/dbraw/zinc/67/41/89/1030674189.db2.gz QEZLHTIAUZSGSQ-FQEVSTJZSA-N 2 1 389.590 3.605 20 0 GHADMP Cc1cc(Cl)c(C[NH+]2CCC3(C[C@H]3C(=O)NCC[NH+](C)C)CC2)c(Cl)c1 ZINC001276907271 1030675892 /nfs/dbraw/zinc/67/58/92/1030675892.db2.gz GCLVYOSPPFOBDI-INIZCTEOSA-N 2 1 398.378 3.582 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CCC[NH2+]C[C@H]2F)c1-3 ZINC001217949799 1030682045 /nfs/dbraw/zinc/68/20/45/1030682045.db2.gz QHYBYOSQNIJRPS-QWFCFKBJSA-N 2 1 382.479 3.613 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001223843395 1030775644 /nfs/dbraw/zinc/77/56/44/1030775644.db2.gz IXMBBLSYRBUKOR-KJXAQDMKSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001223843395 1030775662 /nfs/dbraw/zinc/77/56/62/1030775662.db2.gz IXMBBLSYRBUKOR-KJXAQDMKSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001223843395 1030775674 /nfs/dbraw/zinc/77/56/74/1030775674.db2.gz IXMBBLSYRBUKOR-KJXAQDMKSA-N 2 1 398.595 3.698 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218247933 1030850180 /nfs/dbraw/zinc/85/01/80/1030850180.db2.gz RRAQWOWCEKJUDY-HSZRJFAPSA-N 2 1 379.548 3.776 20 0 GHADMP COc1cc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC001206641258 1030907801 /nfs/dbraw/zinc/90/78/01/1030907801.db2.gz VGPGLMZHGBLPIZ-LJQANCHMSA-N 2 1 384.520 3.844 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC001206641258 1030907804 /nfs/dbraw/zinc/90/78/04/1030907804.db2.gz VGPGLMZHGBLPIZ-LJQANCHMSA-N 2 1 384.520 3.844 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001218410514 1030927081 /nfs/dbraw/zinc/92/70/81/1030927081.db2.gz CUXPBHYVTDEHPP-PMACEKPBSA-N 2 1 388.895 3.556 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1ccc2c(n1)CC[NH2+]C2)C1CCCCC1 ZINC001219025273 1031218881 /nfs/dbraw/zinc/21/88/81/1031218881.db2.gz DAJGHSDQVWPYCQ-UHFFFAOYSA-N 2 1 378.520 3.744 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C[C@@H]([NH3+])COC(C)(C)C)cccc2[C@H](c2ccccc2)C1 ZINC001219046853 1031228121 /nfs/dbraw/zinc/22/81/21/1031228121.db2.gz KNPUUERVMSZISG-QUCCMNQESA-N 2 1 395.547 3.735 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@]3(C)CC(C)(C)C[NH2+]3)cccc2[C@H](c2ccccc2)C1 ZINC001219047106 1031229526 /nfs/dbraw/zinc/22/95/26/1031229526.db2.gz QBGUVPQEVUWILA-YADARESESA-N 2 1 377.532 3.981 20 0 GHADMP CC[C@@]1(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)CCC[NH2+]C1 ZINC001219047052 1031229811 /nfs/dbraw/zinc/22/98/11/1031229811.db2.gz PAYAFRZWSROTMU-GBXCKJPGSA-N 2 1 377.532 3.982 20 0 GHADMP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219825226 1031638782 /nfs/dbraw/zinc/63/87/82/1031638782.db2.gz FKQAWIRKWNYKHJ-SJLPKXTDSA-N 2 1 389.952 3.574 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@H]1C ZINC001220470336 1031953894 /nfs/dbraw/zinc/95/38/94/1031953894.db2.gz BYUHADCTCXVGJJ-WOJBJXKFSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)CC1 ZINC001220498979 1031965810 /nfs/dbraw/zinc/96/58/10/1031965810.db2.gz NNMPXWCVLFCVBQ-UFYCRDLUSA-N 2 1 386.584 3.552 20 0 GHADMP CN(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@]1(C)CCC[NH2+]C1 ZINC001156977148 1033352330 /nfs/dbraw/zinc/35/23/30/1033352330.db2.gz QDUFNKHQEIRMPZ-JOCHJYFZSA-N 2 1 399.608 3.744 20 0 GHADMP Cc1nn2c(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)c(C(C)C)nc2s1 ZINC001205385429 1033387194 /nfs/dbraw/zinc/38/71/94/1033387194.db2.gz GAVHXOORARIVDX-HOCLYGCPSA-N 2 1 375.586 3.965 20 0 GHADMP Cc1nn2c(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)c(C(C)C)nc2s1 ZINC001205385429 1033387209 /nfs/dbraw/zinc/38/72/09/1033387209.db2.gz GAVHXOORARIVDX-HOCLYGCPSA-N 2 1 375.586 3.965 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)CCCO1 ZINC001205406001 1033396354 /nfs/dbraw/zinc/39/63/54/1033396354.db2.gz PEJVVGMKUKKJJZ-RTBURBONSA-N 2 1 397.604 3.503 20 0 GHADMP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229302592 1033403094 /nfs/dbraw/zinc/40/30/94/1033403094.db2.gz KNSLWPWMNRQAGX-RXVVDRJESA-N 2 1 381.520 3.820 20 0 GHADMP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229302592 1033403098 /nfs/dbraw/zinc/40/30/98/1033403098.db2.gz KNSLWPWMNRQAGX-RXVVDRJESA-N 2 1 381.520 3.820 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(c2ccc(C[N@H+](C)C3CC3)cn2)CC1 ZINC001157084104 1033406262 /nfs/dbraw/zinc/40/62/62/1033406262.db2.gz UOJYFPYETIFTIM-UHFFFAOYSA-N 2 1 382.527 3.916 20 0 GHADMP C[NH+](Cc1ccc(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)nc1)C1CC1 ZINC001157084104 1033406268 /nfs/dbraw/zinc/40/62/68/1033406268.db2.gz UOJYFPYETIFTIM-UHFFFAOYSA-N 2 1 382.527 3.916 20 0 GHADMP C[NH+](Cc1ccc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)nc1)C1CC1 ZINC001157084104 1033406272 /nfs/dbraw/zinc/40/62/72/1033406272.db2.gz UOJYFPYETIFTIM-UHFFFAOYSA-N 2 1 382.527 3.916 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC001461848342 1069789423 /nfs/dbraw/zinc/78/94/23/1069789423.db2.gz AGHLNXFMSCDGER-SIKLNZKXSA-N 2 1 379.589 3.831 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2cc(Br)c(Br)o2)CC[C@H]1C[NH3+] ZINC001205618517 1033495806 /nfs/dbraw/zinc/49/58/06/1033495806.db2.gz WSEXURLLXBXLGY-ZJUUUORDSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)c(Br)o2)CC[C@H]1C[NH3+] ZINC001205618517 1033495818 /nfs/dbraw/zinc/49/58/18/1033495818.db2.gz WSEXURLLXBXLGY-ZJUUUORDSA-N 2 1 380.124 3.611 20 0 GHADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001205634605 1033502955 /nfs/dbraw/zinc/50/29/55/1033502955.db2.gz ZIIKUVMKCFKXMY-YMPZKCBVSA-N 2 1 390.543 3.614 20 0 GHADMP C[NH+]1CCN(c2cccc(Nc3ccc(C4([NH+]5CCOCC5)CC4)cc3)c2)CC1 ZINC001205812076 1033585196 /nfs/dbraw/zinc/58/51/96/1033585196.db2.gz ZKOWMLLZFFVDCI-UHFFFAOYSA-N 2 1 392.547 3.503 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3c(c2)c2ccccc2n3Cc2ccccc2)C[C@H]1O ZINC001205973121 1033662063 /nfs/dbraw/zinc/66/20/63/1033662063.db2.gz HLPUZVPCWQSXKS-RCZVLFRGSA-N 2 1 385.511 3.737 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)c2ccccc2n3Cc2ccccc2)C[C@H]1O ZINC001205973121 1033662068 /nfs/dbraw/zinc/66/20/68/1033662068.db2.gz HLPUZVPCWQSXKS-RCZVLFRGSA-N 2 1 385.511 3.737 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(OC(F)F)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206024129 1033691355 /nfs/dbraw/zinc/69/13/55/1033691355.db2.gz HXHUVTIDHHYNSZ-RYUDHWBXSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CCC[C@H]1C[NH3+] ZINC001206022739 1033691935 /nfs/dbraw/zinc/69/19/35/1033691935.db2.gz CNSCJOWLAFSPTP-QWRGUYRKSA-N 2 1 380.252 3.670 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@@H]1F ZINC001206200882 1033761458 /nfs/dbraw/zinc/76/14/58/1033761458.db2.gz UCJAMYKYKLGNGA-DLBZAZTESA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@@H]1F ZINC001206200882 1033761474 /nfs/dbraw/zinc/76/14/74/1033761474.db2.gz UCJAMYKYKLGNGA-DLBZAZTESA-N 2 1 383.389 3.908 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)s2)cc1OC ZINC001206318921 1033794010 /nfs/dbraw/zinc/79/40/10/1033794010.db2.gz VDUPWDWVZCKXGC-HXUWFJFHSA-N 2 1 375.538 3.778 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(Cl)cccc2I)CC1 ZINC001206325154 1033798193 /nfs/dbraw/zinc/79/81/93/1033798193.db2.gz GAKONOLGKOWRDX-OAHLLOKOSA-N 2 1 392.712 3.896 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001158160941 1033945019 /nfs/dbraw/zinc/94/50/19/1033945019.db2.gz MHIAGYDESHIBIZ-VWNXMTODSA-N 2 1 377.532 3.604 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N1CCC[C@]12CCC[NH2+]C2)c1ccccc1 ZINC001158160941 1033945027 /nfs/dbraw/zinc/94/50/27/1033945027.db2.gz MHIAGYDESHIBIZ-VWNXMTODSA-N 2 1 377.532 3.604 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4scnc4c3)C2)ccn1 ZINC001206777327 1033979973 /nfs/dbraw/zinc/97/99/73/1033979973.db2.gz QTZHEPLYCQJYHP-IBGZPJMESA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4scnc4c3)C2)ccn1 ZINC001206777327 1033979982 /nfs/dbraw/zinc/97/99/82/1033979982.db2.gz QTZHEPLYCQJYHP-IBGZPJMESA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4scnc4c3)C2)ccn1 ZINC001206777327 1033979987 /nfs/dbraw/zinc/97/99/87/1033979987.db2.gz QTZHEPLYCQJYHP-IBGZPJMESA-N 2 1 382.533 3.796 20 0 GHADMP COCC[N@H+](C/C(C)=C\c1ccccc1OC(F)F)CC1CC[NH+](C)CC1 ZINC001207076601 1034081078 /nfs/dbraw/zinc/08/10/78/1034081078.db2.gz UBJQCQDEBCXQKD-VKAVYKQESA-N 2 1 382.495 3.982 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CC[C@@H]1CC=C(C)C1(C)C)CCC2 ZINC001207272952 1034230309 /nfs/dbraw/zinc/23/03/09/1034230309.db2.gz UECGZUNFWDCUNQ-IBGZPJMESA-N 2 1 386.584 3.673 20 0 GHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001207278923 1034232625 /nfs/dbraw/zinc/23/26/25/1034232625.db2.gz HBOYZGAFZMUYIB-RBUKOAKNSA-N 2 1 381.605 3.933 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CCC[C@]1(O)C(F)(F)F ZINC001207286726 1034236757 /nfs/dbraw/zinc/23/67/57/1034236757.db2.gz KYMHDMRCMFQUAT-YLJYHZDGSA-N 2 1 384.486 3.924 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001207293986 1034246992 /nfs/dbraw/zinc/24/69/92/1034246992.db2.gz FYISITLNNUHPLH-RPWUZVMVSA-N 2 1 392.543 3.787 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379244 1034323744 /nfs/dbraw/zinc/32/37/44/1034323744.db2.gz SSMXPKQIGHZZLK-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379244 1034323748 /nfs/dbraw/zinc/32/37/48/1034323748.db2.gz SSMXPKQIGHZZLK-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379244 1034323750 /nfs/dbraw/zinc/32/37/50/1034323750.db2.gz SSMXPKQIGHZZLK-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379244 1034323754 /nfs/dbraw/zinc/32/37/54/1034323754.db2.gz SSMXPKQIGHZZLK-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379244 1034323762 /nfs/dbraw/zinc/32/37/62/1034323762.db2.gz SSMXPKQIGHZZLK-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001207398811 1034341814 /nfs/dbraw/zinc/34/18/14/1034341814.db2.gz OBEDHGOSAWREBS-UHFFFAOYSA-N 2 1 378.973 3.804 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN(C(=O)CCCCCCC[NH3+])CC3)cs1 ZINC001158977564 1034366960 /nfs/dbraw/zinc/36/69/60/1034366960.db2.gz YIEDNQUWYORPMF-UHFFFAOYSA-N 2 1 392.613 3.708 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@H+](CC2CC[NH2+]CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001207438206 1034369181 /nfs/dbraw/zinc/36/91/81/1034369181.db2.gz YGUYCFMAZXXGCK-LJQANCHMSA-N 2 1 393.959 3.933 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC001207438206 1034369196 /nfs/dbraw/zinc/36/91/96/1034369196.db2.gz YGUYCFMAZXXGCK-LJQANCHMSA-N 2 1 393.959 3.933 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CCC2CC[NH+](C)CC2)CC3)c1 ZINC001207482900 1034392105 /nfs/dbraw/zinc/39/21/05/1034392105.db2.gz HOHLHTQJXQQPED-UHFFFAOYSA-N 3 1 385.596 3.715 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001231106141 1034400996 /nfs/dbraw/zinc/40/09/96/1034400996.db2.gz KYJYWVUORIHUNM-FGZHOGPDSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001231106141 1034401004 /nfs/dbraw/zinc/40/10/04/1034401004.db2.gz KYJYWVUORIHUNM-FGZHOGPDSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001231106141 1034401012 /nfs/dbraw/zinc/40/10/12/1034401012.db2.gz KYJYWVUORIHUNM-FGZHOGPDSA-N 2 1 390.616 3.737 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1SC ZINC001207566559 1034455323 /nfs/dbraw/zinc/45/53/23/1034455323.db2.gz GTGUEWZOAWGTNO-MRXNPFEDSA-N 2 1 399.004 3.942 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001207648665 1034509226 /nfs/dbraw/zinc/50/92/26/1034509226.db2.gz HHHXXNSZRWYEBF-FQEVSTJZSA-N 2 1 390.616 3.818 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001207648665 1034509235 /nfs/dbraw/zinc/50/92/35/1034509235.db2.gz HHHXXNSZRWYEBF-FQEVSTJZSA-N 2 1 390.616 3.818 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207671041 1034521911 /nfs/dbraw/zinc/52/19/11/1034521911.db2.gz QYQJPISDOYLWPV-CEMLEFRQSA-N 2 1 380.617 3.777 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207671041 1034521922 /nfs/dbraw/zinc/52/19/22/1034521922.db2.gz QYQJPISDOYLWPV-CEMLEFRQSA-N 2 1 380.617 3.777 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001207671041 1034521934 /nfs/dbraw/zinc/52/19/34/1034521934.db2.gz QYQJPISDOYLWPV-CEMLEFRQSA-N 2 1 380.617 3.777 20 0 GHADMP [NH3+]C1CCN(c2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[nH+]2)CC1 ZINC001159294442 1034529624 /nfs/dbraw/zinc/52/96/24/1034529624.db2.gz UFGHSFCHGSIVFN-DKUWSORSSA-N 3 1 391.563 3.617 20 0 GHADMP C[N@@H+](CC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2)CC1CC[NH+](C)CC1 ZINC001207804849 1034583948 /nfs/dbraw/zinc/58/39/48/1034583948.db2.gz UPUGOJFKXHDRMO-UHFFFAOYSA-N 2 1 379.589 3.687 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207821631 1034599180 /nfs/dbraw/zinc/59/91/80/1034599180.db2.gz JVTDNXGVSHPNGW-RDJZCZTQSA-N 2 1 389.531 3.541 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207821631 1034599186 /nfs/dbraw/zinc/59/91/86/1034599186.db2.gz JVTDNXGVSHPNGW-RDJZCZTQSA-N 2 1 389.531 3.541 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cccnc13)CC2 ZINC001231488979 1034632864 /nfs/dbraw/zinc/63/28/64/1034632864.db2.gz OEPOBQIRISSREN-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cnccc34)C[C@H]21 ZINC001231518112 1034670248 /nfs/dbraw/zinc/67/02/48/1034670248.db2.gz MJEHNFTWSDBNLT-ODOSVJCGSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cnccc34)C[C@H]21 ZINC001231518112 1034670255 /nfs/dbraw/zinc/67/02/55/1034670255.db2.gz MJEHNFTWSDBNLT-ODOSVJCGSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cnccc34)C[C@H]21 ZINC001231518112 1034670262 /nfs/dbraw/zinc/67/02/62/1034670262.db2.gz MJEHNFTWSDBNLT-ODOSVJCGSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cnccc34)C[C@H]21 ZINC001231518112 1034670273 /nfs/dbraw/zinc/67/02/73/1034670273.db2.gz MJEHNFTWSDBNLT-ODOSVJCGSA-N 2 1 375.520 3.690 20 0 GHADMP CCOc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)ccc1OCCCOC ZINC001231553771 1034705698 /nfs/dbraw/zinc/70/56/98/1034705698.db2.gz WGXHHRRQGDLYFS-UHFFFAOYSA-N 2 1 399.535 3.526 20 0 GHADMP Cc1cc(Cl)c(Cl)cc1C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001276560072 1034764976 /nfs/dbraw/zinc/76/49/76/1034764976.db2.gz UNCJCFPRPRVMAY-HXUWFJFHSA-N 2 1 398.378 3.820 20 0 GHADMP C[NH+](C)CC1(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CCCC1 ZINC001208185445 1034783787 /nfs/dbraw/zinc/78/37/87/1034783787.db2.gz MYPCRGCJULPXDT-UHFFFAOYSA-N 3 1 384.612 3.880 20 0 GHADMP CN(C)CC1(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)CCCC1 ZINC001208185445 1034783791 /nfs/dbraw/zinc/78/37/91/1034783791.db2.gz MYPCRGCJULPXDT-UHFFFAOYSA-N 2 1 384.612 3.880 20 0 GHADMP CN(C)CC1(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)CCCC1 ZINC001208185445 1034783804 /nfs/dbraw/zinc/78/38/04/1034783804.db2.gz MYPCRGCJULPXDT-UHFFFAOYSA-N 2 1 384.612 3.880 20 0 GHADMP c1cn(C2CCCC2)c2nc[nH+]c(NCc3ccccc3N3CC[NH2+]CC3)c12 ZINC001160109941 1034864589 /nfs/dbraw/zinc/86/45/89/1034864589.db2.gz QEJUIJUJGAQSGW-UHFFFAOYSA-N 2 1 376.508 3.568 20 0 GHADMP c1ccc(OCC2CC[NH2+]CC2)c(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001160187762 1034894864 /nfs/dbraw/zinc/89/48/64/1034894864.db2.gz TYIXZRWZMAMADR-UHFFFAOYSA-N 2 1 381.520 3.641 20 0 GHADMP CSc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001231784789 1034908442 /nfs/dbraw/zinc/90/84/42/1034908442.db2.gz OALVKZHTGUGGIU-TZIWHRDSSA-N 2 1 383.561 3.526 20 0 GHADMP CSc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001231784789 1034908443 /nfs/dbraw/zinc/90/84/43/1034908443.db2.gz OALVKZHTGUGGIU-TZIWHRDSSA-N 2 1 383.561 3.526 20 0 GHADMP CSc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001231784789 1034908447 /nfs/dbraw/zinc/90/84/47/1034908447.db2.gz OALVKZHTGUGGIU-TZIWHRDSSA-N 2 1 383.561 3.526 20 0 GHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001231787008 1034909495 /nfs/dbraw/zinc/90/94/95/1034909495.db2.gz COPQOBKHBNKWFC-DNQXCXABSA-N 2 1 397.607 3.792 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1-c1ccccc1C)CC2 ZINC001231811924 1034924261 /nfs/dbraw/zinc/92/42/61/1034924261.db2.gz HMWHLVQADQOQMT-UHFFFAOYSA-N 2 1 391.559 3.838 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1ccccc1-c1ccccc1C)CC2 ZINC001231811924 1034924262 /nfs/dbraw/zinc/92/42/62/1034924262.db2.gz HMWHLVQADQOQMT-UHFFFAOYSA-N 2 1 391.559 3.838 20 0 GHADMP CCCCC[C@H]([NH2+]C)C(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001160295361 1034931714 /nfs/dbraw/zinc/93/17/14/1034931714.db2.gz LIQUNJWSALXFET-UNMCSNQZSA-N 2 1 375.532 3.561 20 0 GHADMP CCCCC[C@H]([NH2+]C)C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001160295361 1034931720 /nfs/dbraw/zinc/93/17/20/1034931720.db2.gz LIQUNJWSALXFET-UNMCSNQZSA-N 2 1 375.532 3.561 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001208584110 1034941762 /nfs/dbraw/zinc/94/17/62/1034941762.db2.gz JZXXTJJAUDXBBG-JOCHJYFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001208584110 1034941767 /nfs/dbraw/zinc/94/17/67/1034941767.db2.gz JZXXTJJAUDXBBG-JOCHJYFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001208584110 1034941773 /nfs/dbraw/zinc/94/17/73/1034941773.db2.gz JZXXTJJAUDXBBG-JOCHJYFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232012886 1035042996 /nfs/dbraw/zinc/04/29/96/1035042996.db2.gz VWGDCROSEAXIKK-NQIIRXRSSA-N 2 1 388.487 3.734 20 0 GHADMP COc1ccc(CC[N@H+](C[C@H](C)O)C[C@H]2CCC[NH+](Cc3ccccc3)C2)cc1 ZINC001208933581 1035097719 /nfs/dbraw/zinc/09/77/19/1035097719.db2.gz WHUPJAWDFUNIGU-URXFXBBRSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)C[C@H]2CCC[NH+](Cc3ccccc3)C2)cc1 ZINC001208933581 1035097727 /nfs/dbraw/zinc/09/77/27/1035097727.db2.gz WHUPJAWDFUNIGU-URXFXBBRSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001208933581 1035097737 /nfs/dbraw/zinc/09/77/37/1035097737.db2.gz WHUPJAWDFUNIGU-URXFXBBRSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001208933581 1035097743 /nfs/dbraw/zinc/09/77/43/1035097743.db2.gz WHUPJAWDFUNIGU-URXFXBBRSA-N 2 1 396.575 3.833 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208933614 1035098719 /nfs/dbraw/zinc/09/87/19/1035098719.db2.gz FWJZIKVTGKPRMG-RPWUZVMVSA-N 2 1 383.580 3.766 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208933614 1035098727 /nfs/dbraw/zinc/09/87/27/1035098727.db2.gz FWJZIKVTGKPRMG-RPWUZVMVSA-N 2 1 383.580 3.766 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208933614 1035098734 /nfs/dbraw/zinc/09/87/34/1035098734.db2.gz FWJZIKVTGKPRMG-RPWUZVMVSA-N 2 1 383.580 3.766 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936219 1035103251 /nfs/dbraw/zinc/10/32/51/1035103251.db2.gz MUESGIVULCHKNA-LADGPHEKSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936219 1035103257 /nfs/dbraw/zinc/10/32/57/1035103257.db2.gz MUESGIVULCHKNA-LADGPHEKSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936219 1035103261 /nfs/dbraw/zinc/10/32/61/1035103261.db2.gz MUESGIVULCHKNA-LADGPHEKSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939087 1035108542 /nfs/dbraw/zinc/10/85/42/1035108542.db2.gz BPSRZYASTWDXEK-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208939087 1035108547 /nfs/dbraw/zinc/10/85/47/1035108547.db2.gz BPSRZYASTWDXEK-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939087 1035108550 /nfs/dbraw/zinc/10/85/50/1035108550.db2.gz BPSRZYASTWDXEK-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939087 1035108553 /nfs/dbraw/zinc/10/85/53/1035108553.db2.gz BPSRZYASTWDXEK-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940543 1035109039 /nfs/dbraw/zinc/10/90/39/1035109039.db2.gz DKAUHBGUNYZJIF-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940543 1035109048 /nfs/dbraw/zinc/10/90/48/1035109048.db2.gz DKAUHBGUNYZJIF-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CCC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940543 1035109054 /nfs/dbraw/zinc/10/90/54/1035109054.db2.gz DKAUHBGUNYZJIF-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208940597 1035110243 /nfs/dbraw/zinc/11/02/43/1035110243.db2.gz FFFCOUJZWKEYFM-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208940597 1035110248 /nfs/dbraw/zinc/11/02/48/1035110248.db2.gz FFFCOUJZWKEYFM-NRFANRHFSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208941880 1035111385 /nfs/dbraw/zinc/11/13/85/1035111385.db2.gz NNTRRNJXGKVZCW-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208941880 1035111389 /nfs/dbraw/zinc/11/13/89/1035111389.db2.gz NNTRRNJXGKVZCW-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208941880 1035111396 /nfs/dbraw/zinc/11/13/96/1035111396.db2.gz NNTRRNJXGKVZCW-XUZZJYLKSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941603 1035112372 /nfs/dbraw/zinc/11/23/72/1035112372.db2.gz MRBBLHAVFGLFFP-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941603 1035112375 /nfs/dbraw/zinc/11/23/75/1035112375.db2.gz MRBBLHAVFGLFFP-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941603 1035112380 /nfs/dbraw/zinc/11/23/80/1035112380.db2.gz MRBBLHAVFGLFFP-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945565 1035115787 /nfs/dbraw/zinc/11/57/87/1035115787.db2.gz RBTSOGBNWFOMTD-CZYKHXBRSA-N 2 1 399.579 3.696 20 0 GHADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945565 1035115793 /nfs/dbraw/zinc/11/57/93/1035115793.db2.gz RBTSOGBNWFOMTD-CZYKHXBRSA-N 2 1 399.579 3.696 20 0 GHADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945565 1035115802 /nfs/dbraw/zinc/11/58/02/1035115802.db2.gz RBTSOGBNWFOMTD-CZYKHXBRSA-N 2 1 399.579 3.696 20 0 GHADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001208945565 1035115807 /nfs/dbraw/zinc/11/58/07/1035115807.db2.gz RBTSOGBNWFOMTD-CZYKHXBRSA-N 2 1 399.579 3.696 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208949839 1035120035 /nfs/dbraw/zinc/12/00/35/1035120035.db2.gz YEJNUPNBMNDYRF-VISBSAOHSA-N 2 1 375.560 3.840 20 0 GHADMP C(=C/c1ccccc1)\C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208949839 1035120039 /nfs/dbraw/zinc/12/00/39/1035120039.db2.gz YEJNUPNBMNDYRF-VISBSAOHSA-N 2 1 375.560 3.840 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001232144015 1035121497 /nfs/dbraw/zinc/12/14/97/1035121497.db2.gz GAZDRAPNBPOOKA-UYAOXDASSA-N 2 1 391.531 3.719 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001232144015 1035121501 /nfs/dbraw/zinc/12/15/01/1035121501.db2.gz GAZDRAPNBPOOKA-UYAOXDASSA-N 2 1 391.531 3.719 20 0 GHADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951699 1035124132 /nfs/dbraw/zinc/12/41/32/1035124132.db2.gz BCPODZIIHBXAMG-VXKWHMMOSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@@H](COC)[NH+](CCC(=O)OCC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951699 1035124142 /nfs/dbraw/zinc/12/41/42/1035124142.db2.gz BCPODZIIHBXAMG-VXKWHMMOSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@@H](COC)[NH+](CCC(=O)OCC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951699 1035124148 /nfs/dbraw/zinc/12/41/48/1035124148.db2.gz BCPODZIIHBXAMG-VXKWHMMOSA-N 2 1 390.568 3.579 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208956309 1035126852 /nfs/dbraw/zinc/12/68/52/1035126852.db2.gz GXSXPKXCMHRRCC-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208956309 1035126853 /nfs/dbraw/zinc/12/68/53/1035126853.db2.gz GXSXPKXCMHRRCC-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C[C@H]1CCC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001208956309 1035126863 /nfs/dbraw/zinc/12/68/63/1035126863.db2.gz GXSXPKXCMHRRCC-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208955874 1035126985 /nfs/dbraw/zinc/12/69/85/1035126985.db2.gz GENPPQOBUDMTRA-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208955874 1035126990 /nfs/dbraw/zinc/12/69/90/1035126990.db2.gz GENPPQOBUDMTRA-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208955874 1035126999 /nfs/dbraw/zinc/12/69/99/1035126999.db2.gz GENPPQOBUDMTRA-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208955874 1035127003 /nfs/dbraw/zinc/12/70/03/1035127003.db2.gz GENPPQOBUDMTRA-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP O=C([C@@H]1CCC2(C1)CC[NH2+]CC2)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001161055707 1035127239 /nfs/dbraw/zinc/12/72/39/1035127239.db2.gz HLBIJXLCODTRFD-GGAORHGYSA-N 2 1 395.591 3.812 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001232150455 1035129369 /nfs/dbraw/zinc/12/93/69/1035129369.db2.gz WSUBMQACOPTMPJ-HDICACEKSA-N 2 1 376.479 3.917 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001232150455 1035129404 /nfs/dbraw/zinc/12/94/04/1035129404.db2.gz WSUBMQACOPTMPJ-HDICACEKSA-N 2 1 376.479 3.917 20 0 GHADMP CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232151100 1035130093 /nfs/dbraw/zinc/13/00/93/1035130093.db2.gz MOYSWFVDTUEVPO-KRWDZBQOSA-N 2 1 393.547 3.966 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208956441 1035130225 /nfs/dbraw/zinc/13/02/25/1035130225.db2.gz ICZKBXNHJDCDKS-PZJWPPBQSA-N 2 1 380.532 3.797 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208956441 1035130236 /nfs/dbraw/zinc/13/02/36/1035130236.db2.gz ICZKBXNHJDCDKS-PZJWPPBQSA-N 2 1 380.532 3.797 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208956441 1035130244 /nfs/dbraw/zinc/13/02/44/1035130244.db2.gz ICZKBXNHJDCDKS-PZJWPPBQSA-N 2 1 380.532 3.797 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957168 1035130540 /nfs/dbraw/zinc/13/05/40/1035130540.db2.gz DDVXYVVQLAFGFT-JTHBVZDNSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208957168 1035130551 /nfs/dbraw/zinc/13/05/51/1035130551.db2.gz DDVXYVVQLAFGFT-JTHBVZDNSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208957168 1035130560 /nfs/dbraw/zinc/13/05/60/1035130560.db2.gz DDVXYVVQLAFGFT-JTHBVZDNSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208957168 1035130566 /nfs/dbraw/zinc/13/05/66/1035130566.db2.gz DDVXYVVQLAFGFT-JTHBVZDNSA-N 2 1 389.543 3.629 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151428 1035130698 /nfs/dbraw/zinc/13/06/98/1035130698.db2.gz NOOIDARYVWTQDK-BEFAXECRSA-N 2 1 379.520 3.765 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151428 1035130702 /nfs/dbraw/zinc/13/07/02/1035130702.db2.gz NOOIDARYVWTQDK-BEFAXECRSA-N 2 1 379.520 3.765 20 0 GHADMP C[N@@H+](C[C@H]1CCN1C(=O)OC(C)(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001208996675 1035141484 /nfs/dbraw/zinc/14/14/84/1035141484.db2.gz DRNNWPBNJMZRAL-OAQYLSRUSA-N 2 1 387.568 3.840 20 0 GHADMP CCOC(C)(C)C[N@@H+](C1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209078380 1035164697 /nfs/dbraw/zinc/16/46/97/1035164697.db2.gz IVORPPPYOVALLU-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CC1CCC3(CC1)OCCO3)CC2 ZINC001209099021 1035173543 /nfs/dbraw/zinc/17/35/43/1035173543.db2.gz MHPBCHTYKZGGTN-NRFANRHFSA-N 2 1 388.552 3.889 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001209103376 1035174185 /nfs/dbraw/zinc/17/41/85/1035174185.db2.gz VDSZPMDERSNRNN-ACIOBRDBSA-N 2 1 399.579 3.547 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001209103376 1035174192 /nfs/dbraw/zinc/17/41/92/1035174192.db2.gz VDSZPMDERSNRNN-ACIOBRDBSA-N 2 1 399.579 3.547 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001209103376 1035174196 /nfs/dbraw/zinc/17/41/96/1035174196.db2.gz VDSZPMDERSNRNN-ACIOBRDBSA-N 2 1 399.579 3.547 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001209103376 1035174203 /nfs/dbraw/zinc/17/42/03/1035174203.db2.gz VDSZPMDERSNRNN-ACIOBRDBSA-N 2 1 399.579 3.547 20 0 GHADMP FC(F)(F)c1cccc(CC[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001209117325 1035181173 /nfs/dbraw/zinc/18/11/73/1035181173.db2.gz UYLNHCAWJWMBJL-UHFFFAOYSA-N 2 1 392.469 3.599 20 0 GHADMP FC(F)(F)c1ccccc1CC[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001209284375 1035230587 /nfs/dbraw/zinc/23/05/87/1035230587.db2.gz FWFSOCQZWWNVJZ-UHFFFAOYSA-N 2 1 392.469 3.599 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1C(F)(F)F)C2 ZINC001209284986 1035231331 /nfs/dbraw/zinc/23/13/31/1035231331.db2.gz IOQCKCFPPRLBQL-CTNGQTDRSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1C(F)(F)F)C2 ZINC001209284986 1035231337 /nfs/dbraw/zinc/23/13/37/1035231337.db2.gz IOQCKCFPPRLBQL-CTNGQTDRSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209284986 1035231340 /nfs/dbraw/zinc/23/13/40/1035231340.db2.gz IOQCKCFPPRLBQL-CTNGQTDRSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209284986 1035231342 /nfs/dbraw/zinc/23/13/42/1035231342.db2.gz IOQCKCFPPRLBQL-CTNGQTDRSA-N 2 1 396.497 3.928 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(CCc1ccccc1C(F)(F)F)C2 ZINC001209287111 1035231940 /nfs/dbraw/zinc/23/19/40/1035231940.db2.gz ZNYCEQUUZVDCSJ-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP c1ccc(OCC[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001209297727 1035234837 /nfs/dbraw/zinc/23/48/37/1035234837.db2.gz HOQVOXRULSGGFC-VWNXMTODSA-N 2 1 384.564 3.526 20 0 GHADMP c1ccc(OCC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001209297727 1035234840 /nfs/dbraw/zinc/23/48/40/1035234840.db2.gz HOQVOXRULSGGFC-VWNXMTODSA-N 2 1 384.564 3.526 20 0 GHADMP c1ccc(OCC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001209297727 1035234841 /nfs/dbraw/zinc/23/48/41/1035234841.db2.gz HOQVOXRULSGGFC-VWNXMTODSA-N 2 1 384.564 3.526 20 0 GHADMP c1ccc(OCC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001209297727 1035234845 /nfs/dbraw/zinc/23/48/45/1035234845.db2.gz HOQVOXRULSGGFC-VWNXMTODSA-N 2 1 384.564 3.526 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3cc4c(nn3)CC[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161464043 1035235907 /nfs/dbraw/zinc/23/59/07/1035235907.db2.gz XNJKVTKIAWZLNE-VWNXMTODSA-N 2 1 399.542 3.593 20 0 GHADMP [NH3+]CC1(CC(=O)N2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CCCCC1 ZINC001161575706 1035262415 /nfs/dbraw/zinc/26/24/15/1035262415.db2.gz MVNIPXBGBIRGSN-YADHBBJMSA-N 2 1 383.580 3.656 20 0 GHADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cnc1OC ZINC001209618038 1035331715 /nfs/dbraw/zinc/33/17/15/1035331715.db2.gz BYBGFWSVHSSFKX-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP O=C(Nc1ccccc1C1=CC[N@@H+](Cc2ccccc2)CC1)NC1CC[NH2+]CC1 ZINC001241507543 1035598816 /nfs/dbraw/zinc/59/88/16/1035598816.db2.gz YDTYAKFBIOLYEY-UHFFFAOYSA-N 2 1 390.531 3.849 20 0 GHADMP C[C@H]([NH2+]C1CC2(C[C@H]2NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462014681 1069946571 /nfs/dbraw/zinc/94/65/71/1069946571.db2.gz RCQSHBYTHFCPKN-HIYGJGFSSA-N 2 1 399.579 3.932 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+](Cc3cnn4ccc(Cl)nc34)CC2)CC1 ZINC001248881150 1036220945 /nfs/dbraw/zinc/22/09/45/1036220945.db2.gz VLVUHYCLEVTCQW-UHFFFAOYSA-N 2 1 375.948 3.717 20 0 GHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC001246008455 1037129484 /nfs/dbraw/zinc/12/94/84/1037129484.db2.gz SDYHDRXZGKYVNS-NRFANRHFSA-N 2 1 382.548 3.592 20 0 GHADMP O[C@H](C[NH2+][C@H]1CC12C[NH2+]C2)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2 ZINC001246011630 1037131807 /nfs/dbraw/zinc/13/18/07/1037131807.db2.gz XXLDEIRPWCWLDI-MSOLQXFVSA-N 2 1 375.299 3.550 20 0 GHADMP O[C@@H](C[NH2+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246011586 1037131966 /nfs/dbraw/zinc/13/19/66/1037131966.db2.gz WYUUMTNJOVPMIH-SFHVURJKSA-N 2 1 382.401 3.746 20 0 GHADMP O[C@@H](C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1)c1ccccc1 ZINC001246054432 1037167890 /nfs/dbraw/zinc/16/78/90/1037167890.db2.gz YVDWNQYZNUJZON-FQEVSTJZSA-N 2 1 389.337 3.737 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C2CCCCC2)CC1 ZINC001246068048 1037184109 /nfs/dbraw/zinc/18/41/09/1037184109.db2.gz GREMIOMJKNEPEJ-IHPCNDPISA-N 2 1 380.960 3.984 20 0 GHADMP [NH3+]C1CC(N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246112779 1037197822 /nfs/dbraw/zinc/19/78/22/1037197822.db2.gz OEGATVRUVRQQOK-CRVDUZPGSA-N 2 1 375.560 3.831 20 0 GHADMP C[NH2+]CCCN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246117006 1037201356 /nfs/dbraw/zinc/20/13/56/1037201356.db2.gz YLPXNMRPQDYQCP-ISJGIBHGSA-N 2 1 377.576 3.951 20 0 GHADMP C[NH2+]CCC[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246117006 1037201377 /nfs/dbraw/zinc/20/13/77/1037201377.db2.gz YLPXNMRPQDYQCP-ISJGIBHGSA-N 3 1 377.576 3.951 20 0 GHADMP C[NH2+]CCC[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246117006 1037201392 /nfs/dbraw/zinc/20/13/92/1037201392.db2.gz YLPXNMRPQDYQCP-ISJGIBHGSA-N 3 1 377.576 3.951 20 0 GHADMP COc1ccc2c(c1)C1(C[C@H]2N[C@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]CC1 ZINC001246131069 1037208444 /nfs/dbraw/zinc/20/84/44/1037208444.db2.gz WXJGPQJEAXCAHA-PGRDOPGGSA-N 2 1 383.580 3.806 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162456 1037217905 /nfs/dbraw/zinc/21/79/05/1037217905.db2.gz YRTAKENFXZACFF-AYOQOUSVSA-N 2 1 381.358 3.661 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246180812 1037225717 /nfs/dbraw/zinc/22/57/17/1037225717.db2.gz PYNFUEWULHISPX-IRMYBRCSSA-N 3 1 385.596 3.566 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)CO2)C[C@H](C)N1Cc1ccccc1 ZINC001246180812 1037225728 /nfs/dbraw/zinc/22/57/28/1037225728.db2.gz PYNFUEWULHISPX-IRMYBRCSSA-N 2 1 385.596 3.566 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256117 1037256560 /nfs/dbraw/zinc/25/65/60/1037256560.db2.gz MTJFSGVGHLYMBL-UCNVEGJOSA-N 2 1 382.504 3.600 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[NH2+]1 ZINC001246278220 1037273575 /nfs/dbraw/zinc/27/35/75/1037273575.db2.gz LGBWLHWWFQZKCR-RBBKRZOGSA-N 2 1 395.522 3.886 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246281634 1037274185 /nfs/dbraw/zinc/27/41/85/1037274185.db2.gz OTDQGVLBRMZRNS-JQCUPLDDSA-N 2 1 382.589 3.753 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[NH2+]C3(CCC3)C2)c2ccccc12 ZINC001246353348 1037312000 /nfs/dbraw/zinc/31/20/00/1037312000.db2.gz KYXPLOKXWJODJN-MJGOQNOKSA-N 2 1 383.536 3.700 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)cc1C(F)(F)F ZINC001246367561 1037326469 /nfs/dbraw/zinc/32/64/69/1037326469.db2.gz ABSNQAKUUSBZRA-QAPCUYQASA-N 2 1 388.474 3.987 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246428782 1037387603 /nfs/dbraw/zinc/38/76/03/1037387603.db2.gz JKQDIZZHADVYLZ-LJQANCHMSA-N 2 1 383.502 3.692 20 0 GHADMP CN1CCC[C@@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CC1 ZINC001246428782 1037387622 /nfs/dbraw/zinc/38/76/22/1037387622.db2.gz JKQDIZZHADVYLZ-LJQANCHMSA-N 2 1 383.502 3.692 20 0 GHADMP CC(C)[C@H]1C[C@@H]([NH+]2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246439563 1037401830 /nfs/dbraw/zinc/40/18/30/1037401830.db2.gz ZBZPQCXJFHMKJA-RBUKOAKNSA-N 3 1 383.502 3.818 20 0 GHADMP CC[C@@H]1CC([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)C[C@@H](CC)[NH2+]1 ZINC001246478533 1037426166 /nfs/dbraw/zinc/42/61/66/1037426166.db2.gz OSMQQAZXRIXLRB-RTBURBONSA-N 2 1 386.561 3.918 20 0 GHADMP [NH3+][C@H](CCCC[NH2+]C1CCc2ccccc2CC1)C(=O)OCc1ccccc1 ZINC001246489014 1037434269 /nfs/dbraw/zinc/43/42/69/1037434269.db2.gz VZNNQBPQWTUMHE-HSZRJFAPSA-N 2 1 380.532 3.765 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC[NH2+]1 ZINC001246494426 1037439916 /nfs/dbraw/zinc/43/99/16/1037439916.db2.gz YTQVMUSHKLKCRU-SLFFLAALSA-N 2 1 391.625 3.700 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246517681 1037452472 /nfs/dbraw/zinc/45/24/72/1037452472.db2.gz ARZTUURCLUGJNE-YFVAEKQCSA-N 2 1 375.532 3.508 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246517681 1037452484 /nfs/dbraw/zinc/45/24/84/1037452484.db2.gz ARZTUURCLUGJNE-YFVAEKQCSA-N 2 1 375.532 3.508 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246517681 1037452494 /nfs/dbraw/zinc/45/24/94/1037452494.db2.gz ARZTUURCLUGJNE-YFVAEKQCSA-N 2 1 375.532 3.508 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001246527560 1037459951 /nfs/dbraw/zinc/45/99/51/1037459951.db2.gz GMZLMAVJVXNBSW-JLAWEPINSA-N 2 1 397.357 3.631 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH2+]1 ZINC001246535819 1037469302 /nfs/dbraw/zinc/46/93/02/1037469302.db2.gz LUHLBAAINLAPET-PZJWPPBQSA-N 2 1 386.490 3.674 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH2+]1 ZINC001246535819 1037469338 /nfs/dbraw/zinc/46/93/38/1037469338.db2.gz LUHLBAAINLAPET-PZJWPPBQSA-N 2 1 386.490 3.674 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246590541 1037493608 /nfs/dbraw/zinc/49/36/08/1037493608.db2.gz AGGATTUTAQJUTQ-JQOLTRQRSA-N 2 1 377.576 3.945 20 0 GHADMP O=C(OC1CCC([N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)CC1)c1ccccc1 ZINC001246618551 1037508628 /nfs/dbraw/zinc/50/86/28/1037508628.db2.gz HBWYTVBDLYLYLC-XPPIMPSXSA-N 2 1 390.527 3.844 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246620251 1037512505 /nfs/dbraw/zinc/51/25/05/1037512505.db2.gz QPJVQVYVLJTEPE-HJOGWXRNSA-N 2 1 397.607 3.712 20 0 GHADMP C[C@@H]1C[C@@H](N2CC(F)(F)CC23CC[NH2+]CC3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246651127 1037526930 /nfs/dbraw/zinc/52/69/30/1037526930.db2.gz DQIIKOQDQUFMLP-OPVJXMOQSA-N 2 1 377.523 3.891 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246672158 1037538342 /nfs/dbraw/zinc/53/83/42/1037538342.db2.gz KLWOKELKCVHVIX-YZUZCNPQSA-N 2 1 378.516 3.816 20 0 GHADMP c1ccc(OC[C@@H]2CCC[C@@]23C[N@@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)nc1 ZINC001246706213 1037558011 /nfs/dbraw/zinc/55/80/11/1037558011.db2.gz CDGJTPKCXQUKQR-YZUZCNPQSA-N 2 1 399.579 3.786 20 0 GHADMP c1ccc(OC[C@@H]2CCC[C@@]23C[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)nc1 ZINC001246706213 1037558030 /nfs/dbraw/zinc/55/80/30/1037558030.db2.gz CDGJTPKCXQUKQR-YZUZCNPQSA-N 2 1 399.579 3.786 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](C2CCC4(CCC[NH2+]C4)CC2)CCO3)c1 ZINC001246716434 1037567886 /nfs/dbraw/zinc/56/78/86/1037567886.db2.gz GASSHDNQZOJWMK-DWJCEPTDSA-N 2 1 397.607 3.979 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([N@H+]3C[C@H]4CCC[C@@]4(COc4ccccn4)C3)CC[NH2+]2)cc1 ZINC001246722738 1037572414 /nfs/dbraw/zinc/57/24/14/1037572414.db2.gz IMZXVAHIELTFSY-AHCIIZGASA-N 2 1 391.559 3.926 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12C[N@H+]([C@@H]1CCC[NH2+]CC1)C[C@H]2c1ccccc1 ZINC001246724540 1037575881 /nfs/dbraw/zinc/57/58/81/1037575881.db2.gz XGZKGDDJJQOUNX-UNWVZKJWSA-N 2 1 395.572 3.713 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CCOC[C@@H]3COCC3CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246736729 1037581056 /nfs/dbraw/zinc/58/10/56/1037581056.db2.gz JBYYWBHOUWKZDE-CZYKHXBRSA-N 2 1 378.601 3.841 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246739903 1037583685 /nfs/dbraw/zinc/58/36/85/1037583685.db2.gz OTAJWHQQALCOJY-XPWALMASSA-N 2 1 399.623 3.909 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246750985 1037590134 /nfs/dbraw/zinc/59/01/34/1037590134.db2.gz ZXOXOUWOMBIDGS-NASSWSRMSA-N 2 1 399.535 3.869 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH2+]1 ZINC001246750985 1037590158 /nfs/dbraw/zinc/59/01/58/1037590158.db2.gz ZXOXOUWOMBIDGS-NASSWSRMSA-N 2 1 399.535 3.869 20 0 GHADMP CCN(CC)C(=O)C[C@H]1CC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc21 ZINC001246751398 1037590950 /nfs/dbraw/zinc/59/09/50/1037590950.db2.gz GINQUKQRHZWRGU-LEWJYISDSA-N 2 1 397.607 3.908 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)nc2C2CCOCC2)CC1)CC(C)C ZINC001462197629 1070075243 /nfs/dbraw/zinc/07/52/43/1070075243.db2.gz DBYNRKSWHRQBIH-UHFFFAOYSA-N 2 1 390.616 3.894 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246759343 1037601752 /nfs/dbraw/zinc/60/17/52/1037601752.db2.gz ROOXAOZZNUJIEZ-ZKGSSEMHSA-N 2 1 398.591 3.505 20 0 GHADMP Fc1cccc2c1C[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)CC2 ZINC001246766436 1037609725 /nfs/dbraw/zinc/60/97/25/1037609725.db2.gz AVKIOHYGYLWTQM-IBGZPJMESA-N 2 1 382.527 3.818 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766918 1037609888 /nfs/dbraw/zinc/60/98/88/1037609888.db2.gz OVIZDUFSCBTNLV-QZVVCZJMSA-N 2 1 384.612 3.923 20 0 GHADMP CC[C@@H]1CC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766918 1037609899 /nfs/dbraw/zinc/60/98/99/1037609899.db2.gz OVIZDUFSCBTNLV-QZVVCZJMSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1CC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766918 1037609910 /nfs/dbraw/zinc/60/99/10/1037609910.db2.gz OVIZDUFSCBTNLV-QZVVCZJMSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1CC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766918 1037609913 /nfs/dbraw/zinc/60/99/13/1037609913.db2.gz OVIZDUFSCBTNLV-QZVVCZJMSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1CC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246766918 1037609928 /nfs/dbraw/zinc/60/99/28/1037609928.db2.gz OVIZDUFSCBTNLV-QZVVCZJMSA-N 3 1 384.612 3.923 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C3CCC4(CC3)C[NH2+]CCO4)CC[C@@H]21 ZINC001246770527 1037612505 /nfs/dbraw/zinc/61/25/05/1037612505.db2.gz ZNPIRPUQNZPXLS-NYXJOKGOSA-N 2 1 383.580 3.622 20 0 GHADMP Fc1ccc2c(c1)CC[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246772893 1037612584 /nfs/dbraw/zinc/61/25/84/1037612584.db2.gz RUGMEDZAKGRHBF-NRFANRHFSA-N 2 1 382.527 3.818 20 0 GHADMP Cc1ccc2c(c1)C[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)CC2 ZINC001246770596 1037612784 /nfs/dbraw/zinc/61/27/84/1037612784.db2.gz LBYFSFPSZLZPGD-JOCHJYFZSA-N 2 1 378.564 3.987 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+][C@H](c4ccc(F)cc4C)C3)CC2)cc1 ZINC001246780738 1037620993 /nfs/dbraw/zinc/62/09/93/1037620993.db2.gz DFDZUNXLMZELKC-QPPBQGQZSA-N 2 1 397.538 3.754 20 0 GHADMP c1ccc(C[C@@H]2C[NH2+]CCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246819826 1037652288 /nfs/dbraw/zinc/65/22/88/1037652288.db2.gz TVQBLSJULRVIKZ-ZFFYZDHPSA-N 2 1 375.560 3.699 20 0 GHADMP CC1(C)C[C@H](N2CC[NH2+]C[C@H]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001246837511 1037666626 /nfs/dbraw/zinc/66/66/26/1037666626.db2.gz ODHYJVLYPMASKQ-DNQXCXABSA-N 2 1 377.576 3.946 20 0 GHADMP c1ccc(CN2CC[C@H]([N@@H+](Cc3ccccc3)[C@@H]3CSC4(C[NH2+]C4)C3)C2)cc1 ZINC001246838939 1037668224 /nfs/dbraw/zinc/66/82/24/1037668224.db2.gz KMJYQJBFMHPBPR-GOTSBHOMSA-N 2 1 393.600 3.611 20 0 GHADMP Brc1cccc([C@@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001246850975 1037674281 /nfs/dbraw/zinc/67/42/81/1037674281.db2.gz WYZOJMNNJUDRPI-XBMUEBEBSA-N 2 1 379.342 3.887 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+]([C@H](C)CC(c2ccccc2)c2ccccc2)CC1 ZINC001246867167 1037686324 /nfs/dbraw/zinc/68/63/24/1037686324.db2.gz GRBXPCLXEOEMMZ-JPYJTQIMSA-N 2 1 380.532 3.809 20 0 GHADMP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246882921 1037699526 /nfs/dbraw/zinc/69/95/26/1037699526.db2.gz KANZSBSVAYXABI-KNQAVFIVSA-N 2 1 380.532 3.649 20 0 GHADMP Fc1ccc([C@@H]2C[NH2+]CCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246888844 1037704472 /nfs/dbraw/zinc/70/44/72/1037704472.db2.gz VMHQIBSTQPPWEE-KEZOAJOQSA-N 2 1 379.523 3.968 20 0 GHADMP O=C1C[C@H]([N@@H+](Cc2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC001246935729 1037740299 /nfs/dbraw/zinc/74/02/99/1037740299.db2.gz WUKUQWFQMDLMKL-KEZOAJOQSA-N 2 1 389.543 3.573 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946550 1037751414 /nfs/dbraw/zinc/75/14/14/1037751414.db2.gz NTKIKOFTESJFBQ-IRXDYDNUSA-N 2 1 375.866 3.577 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246957592 1037770952 /nfs/dbraw/zinc/77/09/52/1037770952.db2.gz BRZAPYGSNXIYJA-VPBXCIAMSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246957592 1037770975 /nfs/dbraw/zinc/77/09/75/1037770975.db2.gz BRZAPYGSNXIYJA-VPBXCIAMSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246957592 1037770997 /nfs/dbraw/zinc/77/09/97/1037770997.db2.gz BRZAPYGSNXIYJA-VPBXCIAMSA-N 2 1 375.560 3.556 20 0 GHADMP COc1ccc(CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1F ZINC001246962077 1037782948 /nfs/dbraw/zinc/78/29/48/1037782948.db2.gz HWVVSECVIRPIQA-QFIPXVFZSA-N 2 1 397.538 3.663 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246966365 1037789546 /nfs/dbraw/zinc/78/95/46/1037789546.db2.gz UEJRGMRCAICWIW-TUFLPTIASA-N 2 1 388.552 3.889 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246967512 1037790809 /nfs/dbraw/zinc/79/08/09/1037790809.db2.gz FGEWDSWPOZNWRJ-QKNQBKEWSA-N 2 1 399.510 3.874 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246967512 1037790820 /nfs/dbraw/zinc/79/08/20/1037790820.db2.gz FGEWDSWPOZNWRJ-QKNQBKEWSA-N 2 1 399.510 3.874 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC[NH2+]1 ZINC001246984335 1037808056 /nfs/dbraw/zinc/80/80/56/1037808056.db2.gz LJNRDBTYPMPMOE-FYYLOGMGSA-N 2 1 379.548 3.918 20 0 GHADMP CC[C@H]1C[C@@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC[NH2+]1 ZINC001246984337 1037809981 /nfs/dbraw/zinc/80/99/81/1037809981.db2.gz LJNRDBTYPMPMOE-GMAHTHKFSA-N 2 1 379.548 3.918 20 0 GHADMP CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@@H]1C ZINC001246985071 1037810256 /nfs/dbraw/zinc/81/02/56/1037810256.db2.gz AUWFZMRKGHXRAU-NEOGFGCTSA-N 2 1 376.516 3.838 20 0 GHADMP CCOC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C[C@@H]1C ZINC001246985071 1037810275 /nfs/dbraw/zinc/81/02/75/1037810275.db2.gz AUWFZMRKGHXRAU-NEOGFGCTSA-N 2 1 376.516 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]1 ZINC001246985572 1037811759 /nfs/dbraw/zinc/81/17/59/1037811759.db2.gz AKSOUNOYWWDVMW-OFNKIYASSA-N 2 1 375.560 3.924 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]1 ZINC001246985572 1037811771 /nfs/dbraw/zinc/81/17/71/1037811771.db2.gz AKSOUNOYWWDVMW-OFNKIYASSA-N 2 1 375.560 3.924 20 0 GHADMP CSc1cc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001232344251 1038122054 /nfs/dbraw/zinc/12/20/54/1038122054.db2.gz XRCHQZATTRKZPA-UHFFFAOYSA-N 2 1 382.577 3.995 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](CCNC(=O)OC(C)(C)C)CCc2ccccc2)CC1 ZINC001462241261 1070112272 /nfs/dbraw/zinc/11/22/72/1070112272.db2.gz WOJCGSHGCBNRQJ-UHFFFAOYSA-N 2 1 389.584 3.788 20 0 GHADMP CC(C)Cc1ccc(Br)cc1-c1noc([C@H]([NH3+])CCCC[NH3+])n1 ZINC001247696947 1038337227 /nfs/dbraw/zinc/33/72/27/1038337227.db2.gz AHOOBVCCKUUSQF-OAHLLOKOSA-N 2 1 381.318 3.826 20 0 GHADMP Fc1cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)ccc1C(F)(F)F ZINC001247906765 1038479606 /nfs/dbraw/zinc/47/96/06/1038479606.db2.gz FWMODJLGLPVYKK-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP COC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC001232725285 1038519205 /nfs/dbraw/zinc/51/92/05/1038519205.db2.gz AQKGYWLZYTVNTC-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC001232725285 1038519210 /nfs/dbraw/zinc/51/92/10/1038519210.db2.gz AQKGYWLZYTVNTC-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccc(O)cc13)CC2 ZINC001232864282 1038624229 /nfs/dbraw/zinc/62/42/29/1038624229.db2.gz PAOZZJJPLSAXGR-SFHVURJKSA-N 2 1 395.503 3.722 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3-n3cccc3)CC2)CC1 ZINC001232909173 1038705267 /nfs/dbraw/zinc/70/52/67/1038705267.db2.gz KPFDDYJMEUBEDX-UHFFFAOYSA-N 2 1 395.547 3.717 20 0 GHADMP CCOC[C@H](O)C[N@H+]1CCCCC2(C1)CCC[NH+](Cc1ccccc1)CCC2 ZINC001252020424 1038815467 /nfs/dbraw/zinc/81/54/67/1038815467.db2.gz AWEMQNZWVTZJIT-HSZRJFAPSA-N 2 1 388.596 3.932 20 0 GHADMP CN(C)c1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c(F)n1 ZINC001233115732 1038904201 /nfs/dbraw/zinc/90/42/01/1038904201.db2.gz DTOMVVAMPSMQOW-IBGZPJMESA-N 2 1 386.515 3.756 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233120431 1038906970 /nfs/dbraw/zinc/90/69/70/1038906970.db2.gz DATRWNJXVWAKGH-UHFFFAOYSA-N 2 1 393.510 3.974 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001233120431 1038906971 /nfs/dbraw/zinc/90/69/71/1038906971.db2.gz DATRWNJXVWAKGH-UHFFFAOYSA-N 2 1 393.510 3.974 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1n[nH]c3cc(F)ccc31)CC2 ZINC001233120431 1038906975 /nfs/dbraw/zinc/90/69/75/1038906975.db2.gz DATRWNJXVWAKGH-UHFFFAOYSA-N 2 1 393.510 3.974 20 0 GHADMP COc1cc(Br)cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001233217031 1038978501 /nfs/dbraw/zinc/97/85/01/1038978501.db2.gz KGJSIBIHNWRZLH-INIZCTEOSA-N 2 1 377.282 3.814 20 0 GHADMP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001252536281 1039025832 /nfs/dbraw/zinc/02/58/32/1039025832.db2.gz VNKYESADGYKFDO-DSNGMDLFSA-N 2 1 396.575 3.812 20 0 GHADMP CN1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295689 1039084961 /nfs/dbraw/zinc/08/49/61/1039084961.db2.gz KITCCKIDBDKMHA-UHFFFAOYSA-N 2 1 395.478 3.882 20 0 GHADMP CN1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001233295689 1039084968 /nfs/dbraw/zinc/08/49/68/1039084968.db2.gz KITCCKIDBDKMHA-UHFFFAOYSA-N 2 1 395.478 3.882 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c1 ZINC001233324775 1039118898 /nfs/dbraw/zinc/11/88/98/1039118898.db2.gz RMYBHHAJYHFIMY-NRFANRHFSA-N 2 1 397.519 3.728 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252765140 1039155015 /nfs/dbraw/zinc/15/50/15/1039155015.db2.gz ORPKTCMFVUQPTC-NRFANRHFSA-N 2 1 397.563 3.686 20 0 GHADMP COc1cccc(CC2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001252932659 1039270946 /nfs/dbraw/zinc/27/09/46/1039270946.db2.gz VYNIOJKTONXKAW-RUZDIDTESA-N 2 1 394.559 3.587 20 0 GHADMP COc1cccc(CC2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001252932659 1039270955 /nfs/dbraw/zinc/27/09/55/1039270955.db2.gz VYNIOJKTONXKAW-RUZDIDTESA-N 2 1 394.559 3.587 20 0 GHADMP O[C@]1(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC[N@H+](Cc2ccccc2)C1 ZINC001252943749 1039288313 /nfs/dbraw/zinc/28/83/13/1039288313.db2.gz PDZNWJRLJLZMQY-QFIPXVFZSA-N 2 1 383.923 3.590 20 0 GHADMP O[C@]1(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943749 1039288332 /nfs/dbraw/zinc/28/83/32/1039288332.db2.gz PDZNWJRLJLZMQY-QFIPXVFZSA-N 2 1 383.923 3.590 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3ccc(F)cc3)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950053 1039293821 /nfs/dbraw/zinc/29/38/21/1039293821.db2.gz BRBWOKPJEYZGGC-DEOSSOPVSA-N 2 1 382.523 3.765 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3ccc(F)cc3)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950053 1039293830 /nfs/dbraw/zinc/29/38/30/1039293830.db2.gz BRBWOKPJEYZGGC-DEOSSOPVSA-N 2 1 382.523 3.765 20 0 GHADMP CC[NH+](CC)C[C@@H](O)CNc1ccc([NH+]2CCCCC2)cc1N1CCCCC1 ZINC001253195842 1039470051 /nfs/dbraw/zinc/47/00/51/1039470051.db2.gz SLUVJULTRAJTIY-NRFANRHFSA-N 2 1 388.600 3.782 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[NH+](C4CCCCC4)C3)CC2)cc1 ZINC001253292549 1039541471 /nfs/dbraw/zinc/54/14/71/1039541471.db2.gz PHRLWXBOTCIQAQ-QFIPXVFZSA-N 2 1 398.595 3.619 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC001253292549 1039541482 /nfs/dbraw/zinc/54/14/82/1039541482.db2.gz PHRLWXBOTCIQAQ-QFIPXVFZSA-N 2 1 398.595 3.619 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)cc1 ZINC001253292549 1039541490 /nfs/dbraw/zinc/54/14/90/1039541490.db2.gz PHRLWXBOTCIQAQ-QFIPXVFZSA-N 2 1 398.595 3.619 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253300548 1039546769 /nfs/dbraw/zinc/54/67/69/1039546769.db2.gz YQSIWYNVWFOQJA-DNQXCXABSA-N 2 1 396.575 3.845 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253300548 1039546784 /nfs/dbraw/zinc/54/67/84/1039546784.db2.gz YQSIWYNVWFOQJA-DNQXCXABSA-N 2 1 396.575 3.845 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253300550 1039547426 /nfs/dbraw/zinc/54/74/26/1039547426.db2.gz YQSIWYNVWFOQJA-RPWUZVMVSA-N 2 1 396.575 3.845 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253300550 1039547446 /nfs/dbraw/zinc/54/74/46/1039547446.db2.gz YQSIWYNVWFOQJA-RPWUZVMVSA-N 2 1 396.575 3.845 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001253832637 1039840056 /nfs/dbraw/zinc/84/00/56/1039840056.db2.gz UXMINLWYFPDQQA-RBZQAINGSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001253832637 1039840083 /nfs/dbraw/zinc/84/00/83/1039840083.db2.gz UXMINLWYFPDQQA-RBZQAINGSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001253832637 1039840111 /nfs/dbraw/zinc/84/01/11/1039840111.db2.gz UXMINLWYFPDQQA-RBZQAINGSA-N 2 1 394.559 3.579 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)CC1 ZINC001254118639 1039996925 /nfs/dbraw/zinc/99/69/25/1039996925.db2.gz RPKWASBOLVSFLM-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001254118639 1039996929 /nfs/dbraw/zinc/99/69/29/1039996929.db2.gz RPKWASBOLVSFLM-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001254118639 1039996936 /nfs/dbraw/zinc/99/69/36/1039996936.db2.gz RPKWASBOLVSFLM-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234394788 1040000458 /nfs/dbraw/zinc/00/04/58/1040000458.db2.gz BKNBEQDYWSAPHT-VXKWHMMOSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296340 1040147004 /nfs/dbraw/zinc/14/70/04/1040147004.db2.gz QIXXMSJBKUCDDT-AZUAARDMSA-N 2 1 375.557 3.873 20 0 GHADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001462443392 1070256226 /nfs/dbraw/zinc/25/62/26/1070256226.db2.gz RAWNPHGDWYNKTQ-OALUTQOASA-N 2 1 397.563 3.838 20 0 GHADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001462443392 1070256241 /nfs/dbraw/zinc/25/62/41/1070256241.db2.gz RAWNPHGDWYNKTQ-OALUTQOASA-N 2 1 397.563 3.838 20 0 GHADMP COC(=O)C(C[NH2+][C@H]1CCC[N@@H+](C)CC1)(Cc1ccccc1)Cc1ccccc1 ZINC001254510179 1040288402 /nfs/dbraw/zinc/28/84/02/1040288402.db2.gz SJEZHWNGPRKJCS-QHCPKHFHSA-N 2 1 394.559 3.705 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC001254511333 1040289723 /nfs/dbraw/zinc/28/97/23/1040289723.db2.gz YXOZHNQQKCHKHW-LJQANCHMSA-N 3 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)CC1 ZINC001254518899 1040292823 /nfs/dbraw/zinc/29/28/23/1040292823.db2.gz PYUSWKICLNHUSW-PZJWPPBQSA-N 2 1 395.591 3.661 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)CC1 ZINC001254523152 1040294931 /nfs/dbraw/zinc/29/49/31/1040294931.db2.gz SRFGNIGBICDZMY-FCHUYYIVSA-N 2 1 381.564 3.546 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001254526726 1040299072 /nfs/dbraw/zinc/29/90/72/1040299072.db2.gz UGYJKZKAPYCNAP-INIZCTEOSA-N 2 1 378.973 3.946 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001254526726 1040299077 /nfs/dbraw/zinc/29/90/77/1040299077.db2.gz UGYJKZKAPYCNAP-INIZCTEOSA-N 2 1 378.973 3.946 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001254526726 1040299109 /nfs/dbraw/zinc/29/91/09/1040299109.db2.gz UGYJKZKAPYCNAP-INIZCTEOSA-N 2 1 378.973 3.946 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@H]3C[NH+](C)CCO3)c2)CC[N@@H+]1C ZINC001234914686 1040428495 /nfs/dbraw/zinc/42/84/95/1040428495.db2.gz RAXSUNPBMRSQQF-QPXUXIHVSA-N 2 1 386.580 3.938 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@H]3C[NH+](C)CCO3)c2)CC[N@H+]1C ZINC001234914686 1040428508 /nfs/dbraw/zinc/42/85/08/1040428508.db2.gz RAXSUNPBMRSQQF-QPXUXIHVSA-N 2 1 386.580 3.938 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@H]3C[N@H+](C)CCO3)c2)CC[NH+]1C ZINC001234914686 1040428516 /nfs/dbraw/zinc/42/85/16/1040428516.db2.gz RAXSUNPBMRSQQF-QPXUXIHVSA-N 2 1 386.580 3.938 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@H]3C[N@@H+](C)CCO3)c2)CC[NH+]1C ZINC001234914686 1040428528 /nfs/dbraw/zinc/42/85/28/1040428528.db2.gz RAXSUNPBMRSQQF-QPXUXIHVSA-N 2 1 386.580 3.938 20 0 GHADMP COc1ccc2c(C[N@@H+]3CCc4ccc(OC)cc4C34CC[NH2+]CC4)c[nH]c2c1 ZINC001235019033 1040509476 /nfs/dbraw/zinc/50/94/76/1040509476.db2.gz KWDACGCVQSRTGK-UHFFFAOYSA-N 2 1 391.515 3.822 20 0 GHADMP COc1ccc2c(C[N@H+]3CCc4ccc(OC)cc4C34CC[NH2+]CC4)c[nH]c2c1 ZINC001235019033 1040509497 /nfs/dbraw/zinc/50/94/97/1040509497.db2.gz KWDACGCVQSRTGK-UHFFFAOYSA-N 2 1 391.515 3.822 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1c(C)cc(OC)cc1C)CC2 ZINC001235020345 1040509859 /nfs/dbraw/zinc/50/98/59/1040509859.db2.gz SHECKVNBFRSQKD-UHFFFAOYSA-N 2 1 380.532 3.958 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1c(C)cc(OC)cc1C)CC2 ZINC001235020345 1040509876 /nfs/dbraw/zinc/50/98/76/1040509876.db2.gz SHECKVNBFRSQKD-UHFFFAOYSA-N 2 1 380.532 3.958 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763598 1040522616 /nfs/dbraw/zinc/52/26/16/1040522616.db2.gz ALBUJDAQDBIMPF-UYAOXDASSA-N 2 1 387.568 3.873 20 0 GHADMP Cc1nnc(-c2ccc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)o1 ZINC001235061936 1040553482 /nfs/dbraw/zinc/55/34/82/1040553482.db2.gz SHAMYORFRNIFHW-OAQYLSRUSA-N 2 1 376.504 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)o1 ZINC001235061936 1040553499 /nfs/dbraw/zinc/55/34/99/1040553499.db2.gz SHAMYORFRNIFHW-OAQYLSRUSA-N 2 1 376.504 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)o1 ZINC001235061936 1040553515 /nfs/dbraw/zinc/55/35/15/1040553515.db2.gz SHAMYORFRNIFHW-OAQYLSRUSA-N 2 1 376.504 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)o1 ZINC001235061936 1040553536 /nfs/dbraw/zinc/55/35/36/1040553536.db2.gz SHAMYORFRNIFHW-OAQYLSRUSA-N 2 1 376.504 3.999 20 0 GHADMP Clc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1I ZINC001235092944 1040580883 /nfs/dbraw/zinc/58/08/83/1040580883.db2.gz MWFRXYRYVCQWLJ-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP Clc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1I ZINC001235092944 1040580870 /nfs/dbraw/zinc/58/08/70/1040580870.db2.gz MWFRXYRYVCQWLJ-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP Clc1ccc(I)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094909 1040586343 /nfs/dbraw/zinc/58/63/43/1040586343.db2.gz MJGFIVZFQGXBCD-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP Clc1ccc(I)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235094909 1040586356 /nfs/dbraw/zinc/58/63/56/1040586356.db2.gz MJGFIVZFQGXBCD-UHFFFAOYSA-N 2 1 390.696 3.520 20 0 GHADMP CC(C)C[N@@H+]([C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254904432 1040658989 /nfs/dbraw/zinc/65/89/89/1040658989.db2.gz ZIRFMAOGTPTNSI-JSYLVRCQSA-N 2 1 379.589 3.860 20 0 GHADMP COc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(OC)cc1Br ZINC001235230922 1040710973 /nfs/dbraw/zinc/71/09/73/1040710973.db2.gz XCLJDRYOVASTBM-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP CC(C)C[N@H+](C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254999043 1040719631 /nfs/dbraw/zinc/71/96/31/1040719631.db2.gz GPRHZEBQAZSEPK-WHFXDAKLSA-N 2 1 385.596 3.646 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235255450 1040738058 /nfs/dbraw/zinc/73/80/58/1040738058.db2.gz WROXPWAAWXCUPA-NLHDQQPRSA-N 2 1 376.500 3.594 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235255450 1040738068 /nfs/dbraw/zinc/73/80/68/1040738068.db2.gz WROXPWAAWXCUPA-NLHDQQPRSA-N 2 1 376.500 3.594 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+][C@H]4[C@@H]5COC[C@@H]54)C[C@@H]23)cc1 ZINC001255069201 1040763337 /nfs/dbraw/zinc/76/33/37/1040763337.db2.gz IABVPHKTLJZHGE-OPOYRNPBSA-N 2 1 388.555 3.986 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]CC4COC4)C[C@@H]23)cc1 ZINC001255073063 1040766149 /nfs/dbraw/zinc/76/61/49/1040766149.db2.gz MYJTZQSDYCMHKA-UBFVSLLYSA-N 2 1 376.544 3.987 20 0 GHADMP Fc1ccc(C(F)(F)F)c(Br)c1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235343006 1040813529 /nfs/dbraw/zinc/81/35/29/1040813529.db2.gz ZLCHAWYDKRWAMT-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP Fc1ccc(C(F)(F)F)c(Br)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235343006 1040813545 /nfs/dbraw/zinc/81/35/45/1040813545.db2.gz ZLCHAWYDKRWAMT-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(-c4ccc(F)cc4)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235349372 1040822582 /nfs/dbraw/zinc/82/25/82/1040822582.db2.gz MBBKNWRHGKCGGV-URXFXBBRSA-N 2 1 396.506 3.857 20 0 GHADMP Oc1ccc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1OCC1CC1 ZINC001235356382 1040832497 /nfs/dbraw/zinc/83/24/97/1040832497.db2.gz WGPKVZFVEQZWGD-ZJSXRUAMSA-N 2 1 378.516 3.760 20 0 GHADMP Oc1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1OCC1CC1 ZINC001235356382 1040832531 /nfs/dbraw/zinc/83/25/31/1040832531.db2.gz WGPKVZFVEQZWGD-ZJSXRUAMSA-N 2 1 378.516 3.760 20 0 GHADMP [NH2+]=C(N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnc2ccc(F)cn21 ZINC001255134891 1040834185 /nfs/dbraw/zinc/83/41/85/1040834185.db2.gz FCNKOBGUEIHTFF-REPLKXPHSA-N 2 1 377.467 3.584 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@H+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001235369379 1040871241 /nfs/dbraw/zinc/87/12/41/1040871241.db2.gz MGNWRWBUUJXTOX-URXFXBBRSA-N 2 1 378.516 3.601 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001235369379 1040871256 /nfs/dbraw/zinc/87/12/56/1040871256.db2.gz MGNWRWBUUJXTOX-URXFXBBRSA-N 2 1 378.516 3.601 20 0 GHADMP Fc1cnccc1N(C1CC[NH2+]CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255151262 1040871993 /nfs/dbraw/zinc/87/19/93/1040871993.db2.gz VCFMOZGNYLFEKK-ZBYYUNFXSA-N 2 1 394.538 3.975 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235370725 1040873363 /nfs/dbraw/zinc/87/33/63/1040873363.db2.gz OZGHOXVBWZUJIQ-ILBGXUMGSA-N 2 1 394.559 3.855 20 0 GHADMP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369902 1040874024 /nfs/dbraw/zinc/87/40/24/1040874024.db2.gz NMQYLJQJJITUEN-RDPSFJRHSA-N 2 1 380.532 3.765 20 0 GHADMP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369902 1040874050 /nfs/dbraw/zinc/87/40/50/1040874050.db2.gz NMQYLJQJJITUEN-RDPSFJRHSA-N 2 1 380.532 3.765 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255151942 1040874474 /nfs/dbraw/zinc/87/44/74/1040874474.db2.gz ZXKSHHNOLPMNDC-ZBYYUNFXSA-N 2 1 392.547 3.824 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001255188951 1040895277 /nfs/dbraw/zinc/89/52/77/1040895277.db2.gz QUHFJCKVHPVSHC-YUMYIRISSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c21 ZINC001235379157 1040896792 /nfs/dbraw/zinc/89/67/92/1040896792.db2.gz AICAFQBMIJBDFT-YKSBVNFPSA-N 2 1 389.499 3.534 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212487 1040908296 /nfs/dbraw/zinc/90/82/96/1040908296.db2.gz KOSHQHUNTVTLNW-CCSDVLNMSA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212487 1040908298 /nfs/dbraw/zinc/90/82/98/1040908298.db2.gz KOSHQHUNTVTLNW-CCSDVLNMSA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001255212487 1040908308 /nfs/dbraw/zinc/90/83/08/1040908308.db2.gz KOSHQHUNTVTLNW-CCSDVLNMSA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)o2)cc1 ZINC001235401138 1040915091 /nfs/dbraw/zinc/91/50/91/1040915091.db2.gz FYVAODVBWQWJAD-RBBKRZOGSA-N 2 1 386.467 3.647 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)o2)cc1 ZINC001235401138 1040915104 /nfs/dbraw/zinc/91/51/04/1040915104.db2.gz FYVAODVBWQWJAD-RBBKRZOGSA-N 2 1 386.467 3.647 20 0 GHADMP COc1cc(C)c(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235429627 1040930735 /nfs/dbraw/zinc/93/07/35/1040930735.db2.gz BJQDOKGYKIZMLH-JKSUJKDBSA-N 2 1 381.358 3.978 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Br)cn1 ZINC001235430572 1040931293 /nfs/dbraw/zinc/93/12/93/1040931293.db2.gz IQGDXUDBQMJEQR-CVEARBPZSA-N 2 1 396.373 3.843 20 0 GHADMP Clc1nc(N2CCCCC2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235429801 1040931482 /nfs/dbraw/zinc/93/14/82/1040931482.db2.gz RMAKSEUUABDQPP-HZPDHXFCSA-N 2 1 383.005 3.998 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001255363911 1040963156 /nfs/dbraw/zinc/96/31/56/1040963156.db2.gz BLOLBGKAHYOAGT-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001255363911 1040963162 /nfs/dbraw/zinc/96/31/62/1040963162.db2.gz BLOLBGKAHYOAGT-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001255363911 1040963165 /nfs/dbraw/zinc/96/31/65/1040963165.db2.gz BLOLBGKAHYOAGT-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001255363911 1040963168 /nfs/dbraw/zinc/96/31/68/1040963168.db2.gz BLOLBGKAHYOAGT-VLKNYHPOSA-N 2 1 399.579 3.736 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380459 1040971134 /nfs/dbraw/zinc/97/11/34/1040971134.db2.gz KLCZLNMDKLZWHZ-SESVDKBCSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001255380545 1040971645 /nfs/dbraw/zinc/97/16/45/1040971645.db2.gz SOELSIXHYJJSSI-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001255380545 1040971646 /nfs/dbraw/zinc/97/16/46/1040971646.db2.gz SOELSIXHYJJSSI-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C)(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255381561 1040972667 /nfs/dbraw/zinc/97/26/67/1040972667.db2.gz QGEQBIIHJBYDIR-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccccc3N3CCOCC3)CC2)cc1 ZINC001255383979 1040974068 /nfs/dbraw/zinc/97/40/68/1040974068.db2.gz QTAZGPLMERYBLR-QHCPKHFHSA-N 2 1 379.548 3.668 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC[NH+](CC[C@H]4COC(C)(C)N4)CC3)CC2)cc1 ZINC001235532521 1040977157 /nfs/dbraw/zinc/97/71/57/1040977157.db2.gz NWMANRZEGBIMMJ-QFIPXVFZSA-N 2 1 385.596 3.788 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)CC3)cc1 ZINC001235537499 1040980527 /nfs/dbraw/zinc/98/05/27/1040980527.db2.gz NIHLPHILTZVGBC-UHFFFAOYSA-N 2 1 388.490 3.529 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255395012 1040982114 /nfs/dbraw/zinc/98/21/14/1040982114.db2.gz XTADIHPAGRLDOG-HXUWFJFHSA-N 2 1 381.520 3.529 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255400329 1040986258 /nfs/dbraw/zinc/98/62/58/1040986258.db2.gz IIHDVHXTEOXJCV-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255400329 1040986260 /nfs/dbraw/zinc/98/62/60/1040986260.db2.gz IIHDVHXTEOXJCV-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[N@H+]2[C@H]2CCC[NH+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001255400798 1040987255 /nfs/dbraw/zinc/98/72/55/1040987255.db2.gz CMMNEGNGQFHPGH-ILWGZMRPSA-N 2 1 395.572 3.982 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[NH+]2[C@H]2CCC[N@H+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001255400798 1040987260 /nfs/dbraw/zinc/98/72/60/1040987260.db2.gz CMMNEGNGQFHPGH-ILWGZMRPSA-N 2 1 395.572 3.982 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[NH+]2[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001255400798 1040987262 /nfs/dbraw/zinc/98/72/62/1040987262.db2.gz CMMNEGNGQFHPGH-ILWGZMRPSA-N 2 1 395.572 3.982 20 0 GHADMP c1csc(CC[NH+]2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c1 ZINC001255401797 1040988310 /nfs/dbraw/zinc/98/83/10/1040988310.db2.gz CBVVFIIMLGRXCL-JOCHJYFZSA-N 2 1 383.605 3.963 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255402020 1040988466 /nfs/dbraw/zinc/98/84/66/1040988466.db2.gz ZRZMZCKSKMVPPY-OAQYLSRUSA-N 2 1 394.563 3.719 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255402020 1040988469 /nfs/dbraw/zinc/98/84/69/1040988469.db2.gz ZRZMZCKSKMVPPY-OAQYLSRUSA-N 2 1 394.563 3.719 20 0 GHADMP CC(C)Oc1ncnc2c1CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255402020 1040988472 /nfs/dbraw/zinc/98/84/72/1040988472.db2.gz ZRZMZCKSKMVPPY-OAQYLSRUSA-N 2 1 394.563 3.719 20 0 GHADMP CC(C)Oc1ncnc2c1CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402020 1040988473 /nfs/dbraw/zinc/98/84/73/1040988473.db2.gz ZRZMZCKSKMVPPY-OAQYLSRUSA-N 2 1 394.563 3.719 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255401988 1040988647 /nfs/dbraw/zinc/98/86/47/1040988647.db2.gz ZKCUXMXOOXCJCT-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255401988 1040988650 /nfs/dbraw/zinc/98/86/50/1040988650.db2.gz ZKCUXMXOOXCJCT-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]21 ZINC001255401988 1040988651 /nfs/dbraw/zinc/98/86/51/1040988651.db2.gz ZKCUXMXOOXCJCT-BHDDXSALSA-N 2 1 399.579 3.982 20 0 GHADMP CC[C@@H]1[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001255402319 1040988894 /nfs/dbraw/zinc/98/88/94/1040988894.db2.gz NASYQVQJNAJNRP-GPXNEJASSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001255402319 1040988896 /nfs/dbraw/zinc/98/88/96/1040988896.db2.gz NASYQVQJNAJNRP-GPXNEJASSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001255402319 1040988897 /nfs/dbraw/zinc/98/88/97/1040988897.db2.gz NASYQVQJNAJNRP-GPXNEJASSA-N 2 1 383.580 3.907 20 0 GHADMP Fc1ccc(CC[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(Cl)c1 ZINC001235567607 1040992291 /nfs/dbraw/zinc/99/22/91/1040992291.db2.gz URBFMEJDWUFFMD-UHFFFAOYSA-N 2 1 376.907 3.766 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](n3c4ccccc4nc3N3CC[NH2+]CC3)CC2)cc1 ZINC001255408126 1040994765 /nfs/dbraw/zinc/99/47/65/1040994765.db2.gz IKODKEJEJOYDAI-OAQYLSRUSA-N 2 1 389.547 3.673 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001255408667 1040995181 /nfs/dbraw/zinc/99/51/81/1040995181.db2.gz AMVIHNUIWGYMCI-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255408667 1040995194 /nfs/dbraw/zinc/99/51/94/1040995194.db2.gz AMVIHNUIWGYMCI-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255408667 1040995200 /nfs/dbraw/zinc/99/52/00/1040995200.db2.gz AMVIHNUIWGYMCI-RBBKRZOGSA-N 2 1 381.520 3.598 20 0 GHADMP Fc1cnc(OC2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255409850 1040998207 /nfs/dbraw/zinc/99/82/07/1040998207.db2.gz LUKXPRMOLUHBFQ-FQEVSTJZSA-N 2 1 384.499 3.514 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001235633398 1041066984 /nfs/dbraw/zinc/06/69/84/1041066984.db2.gz WRTOKZPSAGSBCA-NIJGLQITSA-N 2 1 376.491 3.674 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001235633398 1041066999 /nfs/dbraw/zinc/06/69/99/1041066999.db2.gz WRTOKZPSAGSBCA-NIJGLQITSA-N 2 1 376.491 3.674 20 0 GHADMP CC[C@H]([NH3+])C[NH+]1CCC(c2cc3c(ncn3C)c(-c3ccc(OC)cc3)n2)CC1 ZINC001235644176 1041082017 /nfs/dbraw/zinc/08/20/17/1041082017.db2.gz MBQYJIASRRINFD-SFHVURJKSA-N 2 1 393.535 3.561 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCC(C(F)(F)F)CC3)CC2)C1 ZINC001255514323 1041101245 /nfs/dbraw/zinc/10/12/45/1041101245.db2.gz NHWTZNNQAOPXET-KLAILNCOSA-N 2 1 390.490 3.847 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCC(C(F)(F)F)CC3)CC2)C1 ZINC001255514323 1041101254 /nfs/dbraw/zinc/10/12/54/1041101254.db2.gz NHWTZNNQAOPXET-KLAILNCOSA-N 2 1 390.490 3.847 20 0 GHADMP CCCC[N@@H+](Cc1ccccc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235663056 1041117727 /nfs/dbraw/zinc/11/77/27/1041117727.db2.gz HHDRWWYRADPIRC-UHFFFAOYSA-N 2 1 377.536 3.999 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255609264 1041164654 /nfs/dbraw/zinc/16/46/54/1041164654.db2.gz SHISNKSNQDQUJM-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255609264 1041164659 /nfs/dbraw/zinc/16/46/59/1041164659.db2.gz SHISNKSNQDQUJM-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255609264 1041164665 /nfs/dbraw/zinc/16/46/65/1041164665.db2.gz SHISNKSNQDQUJM-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255609264 1041164683 /nfs/dbraw/zinc/16/46/83/1041164683.db2.gz SHISNKSNQDQUJM-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP c1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)sc2c1CC[NH2+]C2 ZINC001235694823 1041171205 /nfs/dbraw/zinc/17/12/05/1041171205.db2.gz VWMRCYQZOUNWOV-UHFFFAOYSA-N 3 1 381.589 3.882 20 0 GHADMP CC(C)C[N@H+](Cc1cnc(NC(=O)OC(C)(C)C)cn1)CC1CC[NH+](C)CC1 ZINC001462522263 1070325986 /nfs/dbraw/zinc/32/59/86/1070325986.db2.gz BIIVRHKBAYNNFP-UHFFFAOYSA-N 2 1 391.560 3.623 20 0 GHADMP Clc1ccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001235710519 1041190978 /nfs/dbraw/zinc/19/09/78/1041190978.db2.gz PVQDFJJJSMSUMJ-QFIPXVFZSA-N 2 1 399.966 3.931 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H](C)CC(F)(F)F)CC2 ZINC001255650886 1041191295 /nfs/dbraw/zinc/19/12/95/1041191295.db2.gz JLLNEWWKZOCYFN-SJLPKXTDSA-N 2 1 385.474 3.725 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001255681911 1041214073 /nfs/dbraw/zinc/21/40/73/1041214073.db2.gz BJNWHMJIKVPSBE-VNYJYPEVSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@@H]2CN(C)C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001255681911 1041214094 /nfs/dbraw/zinc/21/40/94/1041214094.db2.gz BJNWHMJIKVPSBE-VNYJYPEVSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@@H]2CN(C)C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001255681911 1041214107 /nfs/dbraw/zinc/21/41/07/1041214107.db2.gz BJNWHMJIKVPSBE-VNYJYPEVSA-N 2 1 385.596 3.997 20 0 GHADMP CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235768788 1041261017 /nfs/dbraw/zinc/26/10/17/1041261017.db2.gz MBABBRHLZFTUPW-UHFFFAOYSA-N 2 1 395.528 3.541 20 0 GHADMP CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001235768788 1041261040 /nfs/dbraw/zinc/26/10/40/1041261040.db2.gz MBABBRHLZFTUPW-UHFFFAOYSA-N 2 1 395.528 3.541 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@@H](C)CSc2ccc(F)cc2)c2c1CC[NH2+]C2 ZINC001255743770 1041264508 /nfs/dbraw/zinc/26/45/08/1041264508.db2.gz VSSGZMRHFUVFII-HNNXBMFYSA-N 2 1 376.545 3.861 20 0 GHADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001255790564 1041298820 /nfs/dbraw/zinc/29/88/20/1041298820.db2.gz IHEVDFJDGCPUGZ-TUACAJSNSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001255790564 1041298826 /nfs/dbraw/zinc/29/88/26/1041298826.db2.gz IHEVDFJDGCPUGZ-TUACAJSNSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001255790564 1041298835 /nfs/dbraw/zinc/29/88/35/1041298835.db2.gz IHEVDFJDGCPUGZ-TUACAJSNSA-N 2 1 379.548 3.544 20 0 GHADMP CC1(N2CC[NH+](Cc3ccc(Oc4ccc(F)cc4)cc3)CC2)CC[NH2+]CC1 ZINC001235815826 1041329685 /nfs/dbraw/zinc/32/96/85/1041329685.db2.gz PPOKDVPBJAENHM-UHFFFAOYSA-N 2 1 383.511 3.878 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001462535477 1070336755 /nfs/dbraw/zinc/33/67/55/1070336755.db2.gz BPHJEEUIMCRIDJ-REWPJTCUSA-N 2 1 389.559 3.712 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001462535477 1070336771 /nfs/dbraw/zinc/33/67/71/1070336771.db2.gz BPHJEEUIMCRIDJ-REWPJTCUSA-N 2 1 389.559 3.712 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001462535477 1070336786 /nfs/dbraw/zinc/33/67/86/1070336786.db2.gz BPHJEEUIMCRIDJ-REWPJTCUSA-N 2 1 389.559 3.712 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3F)CC2)C1 ZINC001255903156 1041384681 /nfs/dbraw/zinc/38/46/81/1041384681.db2.gz FVZCXDBBTLKTJY-SFHVURJKSA-N 2 1 391.531 3.561 20 0 GHADMP Cc1nc2cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)ccc2s1 ZINC001235860097 1041389089 /nfs/dbraw/zinc/38/90/89/1041389089.db2.gz IYCKJPRGQPIODH-UXHICEINSA-N 2 1 378.545 3.954 20 0 GHADMP Cc1nc2cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)ccc2s1 ZINC001235860097 1041389108 /nfs/dbraw/zinc/38/91/08/1041389108.db2.gz IYCKJPRGQPIODH-UXHICEINSA-N 2 1 378.545 3.954 20 0 GHADMP Cc1nc2cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)ccc2s1 ZINC001235860097 1041389125 /nfs/dbraw/zinc/38/91/25/1041389125.db2.gz IYCKJPRGQPIODH-UXHICEINSA-N 2 1 378.545 3.954 20 0 GHADMP Cc1nc2cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)ccc2s1 ZINC001235860097 1041389132 /nfs/dbraw/zinc/38/91/32/1041389132.db2.gz IYCKJPRGQPIODH-UXHICEINSA-N 2 1 378.545 3.954 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952512 1041434158 /nfs/dbraw/zinc/43/41/58/1041434158.db2.gz OFUNIWODIPGVKT-NYVOZVTQSA-N 3 1 389.584 3.666 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958713 1041437098 /nfs/dbraw/zinc/43/70/98/1041437098.db2.gz FDAOAZYCLWWSNK-UXHICEINSA-N 2 1 393.641 3.924 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OCc2ccccc2)c(OC)c1)C1CC[NH2+]CC1 ZINC001235936238 1041439608 /nfs/dbraw/zinc/43/96/08/1041439608.db2.gz AIXHQQZKJZTKOM-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001255961201 1041440310 /nfs/dbraw/zinc/44/03/10/1041440310.db2.gz VPGAXWGFMAXQMP-GHTZIAJQSA-N 2 1 377.598 3.797 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+](C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255962612 1041441937 /nfs/dbraw/zinc/44/19/37/1041441937.db2.gz XKTXMIYLGTVCKU-IBGZPJMESA-N 2 1 391.600 3.720 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001255961779 1041442534 /nfs/dbraw/zinc/44/25/34/1041442534.db2.gz DCLKDORKVNULAD-CYFREDJKSA-N 2 1 394.563 3.738 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001255961779 1041442538 /nfs/dbraw/zinc/44/25/38/1041442538.db2.gz DCLKDORKVNULAD-CYFREDJKSA-N 2 1 394.563 3.738 20 0 GHADMP FC(F)(F)c1ccccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001256071969 1041506593 /nfs/dbraw/zinc/50/65/93/1041506593.db2.gz FMUMTBIGNYFAFI-UHFFFAOYSA-N 2 1 382.470 3.970 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)cc2)c1 ZINC001236080524 1041524789 /nfs/dbraw/zinc/52/47/89/1041524789.db2.gz ULBWKWYBDNUAQS-XMMPIXPASA-N 2 1 378.564 3.618 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001236082323 1041525383 /nfs/dbraw/zinc/52/53/83/1041525383.db2.gz LTZRGPQPVNBULS-NRFANRHFSA-N 2 1 384.955 3.565 20 0 GHADMP [NH3+]CC1C[NH+]([C@H]2CCCN(Cc3c(Cl)cc(C(F)(F)F)cc3Cl)C2)C1 ZINC001236081773 1041525908 /nfs/dbraw/zinc/52/59/08/1041525908.db2.gz GHKMBUZNAIBYDT-ZDUSSCGKSA-N 2 1 396.284 3.867 20 0 GHADMP C[C@H]([C@@H](Oc1ccccc1)c1ccccc1)[N@@H+](C)Cc1cnc2n1CC[NH2+]CC2 ZINC001236161726 1041582698 /nfs/dbraw/zinc/58/26/98/1041582698.db2.gz QZWHLVNPLYUOFV-NTKDMRAZSA-N 2 1 390.531 3.669 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[NH+]3CC(N4CC[NH2+]CC4)C3)s2)c1 ZINC001236161754 1041584105 /nfs/dbraw/zinc/58/41/05/1041584105.db2.gz SEXOIBNDDKHPKQ-UHFFFAOYSA-N 2 1 381.467 3.523 20 0 GHADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2cccc(CN3CCOCC3)c2)CC1 ZINC001236227913 1041634321 /nfs/dbraw/zinc/63/43/21/1041634321.db2.gz OIYRSJDAZNHIID-UHFFFAOYSA-N 2 1 393.575 3.791 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236235558 1041636444 /nfs/dbraw/zinc/63/64/44/1041636444.db2.gz DOCSFPJUHPMHFS-QGTPRVQTSA-N 2 1 376.566 3.869 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241200 1041640006 /nfs/dbraw/zinc/64/00/06/1041640006.db2.gz QUANUVZGXXZOCY-VWLOTQADSA-N 2 1 375.560 3.820 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241200 1041640009 /nfs/dbraw/zinc/64/00/09/1041640009.db2.gz QUANUVZGXXZOCY-VWLOTQADSA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241200 1041640013 /nfs/dbraw/zinc/64/00/13/1041640013.db2.gz QUANUVZGXXZOCY-VWLOTQADSA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241200 1041640016 /nfs/dbraw/zinc/64/00/16/1041640016.db2.gz QUANUVZGXXZOCY-VWLOTQADSA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241200 1041640021 /nfs/dbraw/zinc/64/00/21/1041640021.db2.gz QUANUVZGXXZOCY-VWLOTQADSA-N 3 1 375.560 3.820 20 0 GHADMP CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC001256208191 1041648973 /nfs/dbraw/zinc/64/89/73/1041648973.db2.gz YQFDTFNOMXMIIU-FQEVSTJZSA-N 2 1 397.607 3.860 20 0 GHADMP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc21 ZINC001256208192 1041649158 /nfs/dbraw/zinc/64/91/58/1041649158.db2.gz YQFDTFNOMXMIIU-HXUWFJFHSA-N 2 1 397.607 3.860 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236276028 1041652607 /nfs/dbraw/zinc/65/26/07/1041652607.db2.gz RXMSELUKEPRTIW-AITUJVMLSA-N 2 1 380.479 3.636 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001236276028 1041652613 /nfs/dbraw/zinc/65/26/13/1041652613.db2.gz RXMSELUKEPRTIW-AITUJVMLSA-N 2 1 380.479 3.636 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304075 1041666656 /nfs/dbraw/zinc/66/66/56/1041666656.db2.gz GYPJJLXMKXISPN-TZIWHRDSSA-N 2 1 391.550 3.855 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304075 1041666663 /nfs/dbraw/zinc/66/66/63/1041666663.db2.gz GYPJJLXMKXISPN-TZIWHRDSSA-N 3 1 391.550 3.855 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304075 1041666670 /nfs/dbraw/zinc/66/66/70/1041666670.db2.gz GYPJJLXMKXISPN-TZIWHRDSSA-N 3 1 391.550 3.855 20 0 GHADMP FC(F)(F)Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321977 1041670173 /nfs/dbraw/zinc/67/01/73/1041670173.db2.gz YYLMMPNEBMINCX-TXEJJXNPSA-N 2 1 393.247 3.779 20 0 GHADMP Brc1ccc2nc(C[N@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cn2c1 ZINC001236377108 1041688243 /nfs/dbraw/zinc/68/82/43/1041688243.db2.gz XRJIDPQAIAFLFX-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP Brc1ccc2nc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cn2c1 ZINC001236377108 1041688247 /nfs/dbraw/zinc/68/82/47/1041688247.db2.gz XRJIDPQAIAFLFX-HNNXBMFYSA-N 2 1 391.357 3.841 20 0 GHADMP COc1cc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)ccc1-n1ccnc1 ZINC001236407632 1041704336 /nfs/dbraw/zinc/70/43/36/1041704336.db2.gz XJTVAQKYIHLPPA-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP COc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)ccc1-n1ccnc1 ZINC001236407632 1041704345 /nfs/dbraw/zinc/70/43/45/1041704345.db2.gz XJTVAQKYIHLPPA-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCCc2ccccc2OC)C2CC[NH2+]CC2)c1 ZINC001236465158 1041727572 /nfs/dbraw/zinc/72/75/72/1041727572.db2.gz OGXGQJZNEFNWFZ-UHFFFAOYSA-N 2 1 396.531 3.669 20 0 GHADMP COc1ncc(Br)cc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542438 1041756703 /nfs/dbraw/zinc/75/67/03/1041756703.db2.gz QITVUBYRMRVFII-QAQDUYKDSA-N 2 1 382.346 3.725 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cnc3cc(C)ccn23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544963 1041757645 /nfs/dbraw/zinc/75/76/45/1041757645.db2.gz XMVGLPQNTURUPI-MXVIHJGJSA-N 2 1 378.520 3.923 20 0 GHADMP Nc1cc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236565350 1041764818 /nfs/dbraw/zinc/76/48/18/1041764818.db2.gz ATXUSYUXEHXPFX-KOMQPUFPSA-N 2 1 381.362 3.831 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3ncc(C(F)(F)F)cc3Br)C2)CC1 ZINC001236643156 1041800676 /nfs/dbraw/zinc/80/06/76/1041800676.db2.gz SZOUSSUZDBMGIV-UHFFFAOYSA-N 2 1 392.263 3.781 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ncc(C(F)(F)F)cc3Br)C2)CC1 ZINC001236643156 1041800681 /nfs/dbraw/zinc/80/06/81/1041800681.db2.gz SZOUSSUZDBMGIV-UHFFFAOYSA-N 2 1 392.263 3.781 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236759596 1041876651 /nfs/dbraw/zinc/87/66/51/1041876651.db2.gz WYMXUJRUTDQSGO-MEMLXQNLSA-N 2 1 388.552 3.891 20 0 GHADMP CCOC(=O)COc1cccc(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236782461 1041889055 /nfs/dbraw/zinc/88/90/55/1041889055.db2.gz KKLWBNMONVOILZ-WGSAOQKQSA-N 2 1 376.541 3.747 20 0 GHADMP CCC[N@H+](Cc1cc(Cl)c(OC)c(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236843443 1041925548 /nfs/dbraw/zinc/92/55/48/1041925548.db2.gz OFWATGRVGSTRCO-LBPRGKRZSA-N 2 1 375.738 3.933 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2cccn2)c(Br)c1 ZINC001236912322 1041954154 /nfs/dbraw/zinc/95/41/54/1041954154.db2.gz OPNWOJUNOSTRPK-UHFFFAOYSA-N 2 1 377.330 3.553 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2cccn2)c(Br)c1 ZINC001236912322 1041954156 /nfs/dbraw/zinc/95/41/56/1041954156.db2.gz OPNWOJUNOSTRPK-UHFFFAOYSA-N 2 1 377.330 3.553 20 0 GHADMP COc1ccc(C2=CC[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CC2)cc1 ZINC001236965691 1041972127 /nfs/dbraw/zinc/97/21/27/1041972127.db2.gz CHIRSDKZCYGMRG-UHFFFAOYSA-N 2 1 395.522 3.875 20 0 GHADMP COc1ccc(C2=CC[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CC2)cc1 ZINC001236965691 1041972128 /nfs/dbraw/zinc/97/21/28/1041972128.db2.gz CHIRSDKZCYGMRG-UHFFFAOYSA-N 2 1 395.522 3.875 20 0 GHADMP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(OC(F)(F)F)c(Br)c1)CC2 ZINC001237164234 1042073616 /nfs/dbraw/zinc/07/36/16/1042073616.db2.gz KLCLCGUAWODPFT-UHFFFAOYSA-N 2 1 393.247 3.875 20 0 GHADMP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccccc3N3CC[NH2+]CC3)CC[C@H]1N2 ZINC001237250155 1042107065 /nfs/dbraw/zinc/10/70/65/1042107065.db2.gz SQFAKQHDVAHZMP-PZJWPPBQSA-N 2 1 382.939 3.533 20 0 GHADMP c1c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263299 1042112250 /nfs/dbraw/zinc/11/22/50/1042112250.db2.gz BZMMKSKLZDMMPJ-WOJBJXKFSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263299 1042112257 /nfs/dbraw/zinc/11/22/57/1042112257.db2.gz BZMMKSKLZDMMPJ-WOJBJXKFSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263299 1042112261 /nfs/dbraw/zinc/11/22/61/1042112261.db2.gz BZMMKSKLZDMMPJ-WOJBJXKFSA-N 3 1 381.589 3.738 20 0 GHADMP Cc1cc(Cl)cc(C)c1C[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001237357018 1042167245 /nfs/dbraw/zinc/16/72/45/1042167245.db2.gz YAHDXHUICNGKRC-UHFFFAOYSA-N 2 1 390.959 3.637 20 0 GHADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001237357018 1042167247 /nfs/dbraw/zinc/16/72/47/1042167247.db2.gz YAHDXHUICNGKRC-UHFFFAOYSA-N 2 1 390.959 3.637 20 0 GHADMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001237409569 1042195303 /nfs/dbraw/zinc/19/53/03/1042195303.db2.gz IADPCUQFXHTLAN-QHCPKHFHSA-N 2 1 393.531 3.610 20 0 GHADMP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c2ncccc12 ZINC001237427395 1042203727 /nfs/dbraw/zinc/20/37/27/1042203727.db2.gz SZEHDTCCDGLEOS-UHFFFAOYSA-N 2 1 393.510 3.615 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)c(Oc3ccccc3)c2)CCC12C[NH2+]C2 ZINC001237428653 1042204741 /nfs/dbraw/zinc/20/47/41/1042204741.db2.gz BUOLJBYIPLNUCP-IBGZPJMESA-N 2 1 398.478 3.593 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CCC12C[NH2+]C2 ZINC001237430285 1042205655 /nfs/dbraw/zinc/20/56/55/1042205655.db2.gz LODHHFJFNCUMFV-NRFANRHFSA-N 2 1 398.478 3.593 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ccccn3n1)CC2 ZINC001237440351 1042208421 /nfs/dbraw/zinc/20/84/21/1042208421.db2.gz AHIVTVRBCRALNN-HSZRJFAPSA-N 2 1 390.531 3.590 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1OC(C)C ZINC001237715944 1042339349 /nfs/dbraw/zinc/33/93/49/1042339349.db2.gz XVAAWFLLAMYFGR-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1OC(C)C ZINC001237715944 1042339356 /nfs/dbraw/zinc/33/93/56/1042339356.db2.gz XVAAWFLLAMYFGR-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)ccc1OC(C)C ZINC001237715944 1042339365 /nfs/dbraw/zinc/33/93/65/1042339365.db2.gz XVAAWFLLAMYFGR-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)ccc1OC(C)C ZINC001237715944 1042339371 /nfs/dbraw/zinc/33/93/71/1042339371.db2.gz XVAAWFLLAMYFGR-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)cc21 ZINC001237876984 1042405619 /nfs/dbraw/zinc/40/56/19/1042405619.db2.gz LCNHAGVCAPPYCH-SZPZYZBQSA-N 2 1 388.559 3.647 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4C[N@@H+](Cc5ccccn5)C[C@@H]4C3)cc21 ZINC001237876984 1042405620 /nfs/dbraw/zinc/40/56/20/1042405620.db2.gz LCNHAGVCAPPYCH-SZPZYZBQSA-N 2 1 388.559 3.647 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)cc21 ZINC001237876984 1042405624 /nfs/dbraw/zinc/40/56/24/1042405624.db2.gz LCNHAGVCAPPYCH-SZPZYZBQSA-N 2 1 388.559 3.647 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@@]2(CC[N@@H+](Cc3cccc4cncn43)C2)C1 ZINC001238105906 1042493864 /nfs/dbraw/zinc/49/38/64/1042493864.db2.gz VNTUYFUPEMXAMP-NRFANRHFSA-N 2 1 380.517 3.524 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238105906 1042493869 /nfs/dbraw/zinc/49/38/69/1042493869.db2.gz VNTUYFUPEMXAMP-NRFANRHFSA-N 2 1 380.517 3.524 20 0 GHADMP O=C(c1ccsc1)N1CCC2(C1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238107401 1042494509 /nfs/dbraw/zinc/49/45/09/1042494509.db2.gz PYRBJBDHIPEZIY-UHFFFAOYSA-N 2 1 380.517 3.524 20 0 GHADMP COc1c(C)cnc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001238173363 1042508214 /nfs/dbraw/zinc/50/82/14/1042508214.db2.gz PONZBWIMRNNXDL-UHFFFAOYSA-N 2 1 394.563 3.979 20 0 GHADMP Cc1cnc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)c1 ZINC001238428515 1042592984 /nfs/dbraw/zinc/59/29/84/1042592984.db2.gz HZKIMNQASIXNHR-QFIPXVFZSA-N 2 1 379.548 3.954 20 0 GHADMP Fc1ccc(CC[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001278236963 1042606370 /nfs/dbraw/zinc/60/63/70/1042606370.db2.gz APBSXRDZAARSKL-HDICACEKSA-N 2 1 376.907 3.589 20 0 GHADMP Fc1ccc(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001278236963 1042606372 /nfs/dbraw/zinc/60/63/72/1042606372.db2.gz APBSXRDZAARSKL-HDICACEKSA-N 2 1 376.907 3.589 20 0 GHADMP Fc1ccc(CC[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1 ZINC001278236963 1042606374 /nfs/dbraw/zinc/60/63/74/1042606374.db2.gz APBSXRDZAARSKL-HDICACEKSA-N 2 1 376.907 3.589 20 0 GHADMP Cc1cc(-c2ccc3[nH]cc(C[C@H]4CCC[N@@H+]4C)c3c2)cnc1N1CC[NH2+]CC1 ZINC001239735445 1042847394 /nfs/dbraw/zinc/84/73/94/1042847394.db2.gz DIBNNJFFSRTIDU-OAQYLSRUSA-N 2 1 389.547 3.585 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001462657917 1070449121 /nfs/dbraw/zinc/44/91/21/1070449121.db2.gz ANDADMYYIKKEIO-WERVVEIQSA-N 2 1 385.552 4.000 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001462657917 1070449126 /nfs/dbraw/zinc/44/91/26/1070449126.db2.gz ANDADMYYIKKEIO-WERVVEIQSA-N 2 1 385.552 4.000 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001462657907 1070449277 /nfs/dbraw/zinc/44/92/77/1070449277.db2.gz ANDADMYYIKKEIO-BNDYYXHWSA-N 2 1 385.552 4.000 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001462657907 1070449280 /nfs/dbraw/zinc/44/92/80/1070449280.db2.gz ANDADMYYIKKEIO-BNDYYXHWSA-N 2 1 385.552 4.000 20 0 GHADMP CC(C)[NH+]1CCN(c2ccc(C3=CCC[N@@H+](Cc4ccccc4)C3)cn2)CC1 ZINC001240387647 1042924322 /nfs/dbraw/zinc/92/43/22/1042924322.db2.gz RJWCNWZSHXJVKQ-UHFFFAOYSA-N 2 1 376.548 3.901 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)nc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001240853201 1042959346 /nfs/dbraw/zinc/95/93/46/1042959346.db2.gz IGJKTHDGRDLQFT-UHFFFAOYSA-N 2 1 393.531 3.545 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520822 1043445506 /nfs/dbraw/zinc/44/55/06/1043445506.db2.gz UOEMYENXXOEFRZ-YLJYHZDGSA-N 2 1 399.970 3.742 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520822 1043445508 /nfs/dbraw/zinc/44/55/08/1043445508.db2.gz UOEMYENXXOEFRZ-YLJYHZDGSA-N 2 1 399.970 3.742 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256522865 1043447673 /nfs/dbraw/zinc/44/76/73/1043447673.db2.gz MCQLRWAUVLCTJE-VOFPXKNKSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256522865 1043447683 /nfs/dbraw/zinc/44/76/83/1043447683.db2.gz MCQLRWAUVLCTJE-VOFPXKNKSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC001256526648 1043452820 /nfs/dbraw/zinc/45/28/20/1043452820.db2.gz NXXBSVYOFFHDJG-GPUOULLFSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001256526648 1043452830 /nfs/dbraw/zinc/45/28/30/1043452830.db2.gz NXXBSVYOFFHDJG-GPUOULLFSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256529249 1043459136 /nfs/dbraw/zinc/45/91/36/1043459136.db2.gz ARVGMSLYJOHKBU-GCJKJVERSA-N 2 1 375.520 3.625 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-c3cnn(C)c3)c2)CC[N@H+]1Cc1ccccc1 ZINC001256529249 1043459156 /nfs/dbraw/zinc/45/91/56/1043459156.db2.gz ARVGMSLYJOHKBU-GCJKJVERSA-N 2 1 375.520 3.625 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256530753 1043463566 /nfs/dbraw/zinc/46/35/66/1043463566.db2.gz DYCOVNYEFCLBCW-RBBKRZOGSA-N 2 1 393.575 3.998 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256530752 1043464490 /nfs/dbraw/zinc/46/44/90/1043464490.db2.gz DYCOVNYEFCLBCW-IRLDBZIGSA-N 2 1 393.575 3.998 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256537259 1043484943 /nfs/dbraw/zinc/48/49/43/1043484943.db2.gz NHLNPYAKZJTKHX-UGKGYDQZSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCNC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256537259 1043484953 /nfs/dbraw/zinc/48/49/53/1043484953.db2.gz NHLNPYAKZJTKHX-UGKGYDQZSA-N 2 1 392.547 3.749 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256539474 1043486317 /nfs/dbraw/zinc/48/63/17/1043486317.db2.gz XVOXTSYEKHFDEQ-YYWHXJBOSA-N 2 1 380.532 3.986 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256539474 1043486327 /nfs/dbraw/zinc/48/63/27/1043486327.db2.gz XVOXTSYEKHFDEQ-YYWHXJBOSA-N 2 1 380.532 3.986 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CO2 ZINC001256540767 1043491776 /nfs/dbraw/zinc/49/17/76/1043491776.db2.gz ZKHQNPQLKNORAS-SYYKKAFVSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CO2 ZINC001256540767 1043491787 /nfs/dbraw/zinc/49/17/87/1043491787.db2.gz ZKHQNPQLKNORAS-SYYKKAFVSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256550992 1043513394 /nfs/dbraw/zinc/51/33/94/1043513394.db2.gz OQGJAFRAXYPGCG-XUZZJYLKSA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc1 ZINC001256550992 1043513404 /nfs/dbraw/zinc/51/34/04/1043513404.db2.gz OQGJAFRAXYPGCG-XUZZJYLKSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552730 1043518005 /nfs/dbraw/zinc/51/80/05/1043518005.db2.gz DONUZIVQGLTCNK-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(C)(C(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552730 1043518018 /nfs/dbraw/zinc/51/80/18/1043518018.db2.gz DONUZIVQGLTCNK-RBBKRZOGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256555429 1043525539 /nfs/dbraw/zinc/52/55/39/1043525539.db2.gz UYPGUKYREQWDEF-GATIMQMVSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256555429 1043525546 /nfs/dbraw/zinc/52/55/46/1043525546.db2.gz UYPGUKYREQWDEF-GATIMQMVSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555429 1043525558 /nfs/dbraw/zinc/52/55/58/1043525558.db2.gz UYPGUKYREQWDEF-GATIMQMVSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555429 1043525565 /nfs/dbraw/zinc/52/55/65/1043525565.db2.gz UYPGUKYREQWDEF-GATIMQMVSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561573 1043536304 /nfs/dbraw/zinc/53/63/04/1043536304.db2.gz YTZSRWZFFMFXSE-JYRKZWEQSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561573 1043536318 /nfs/dbraw/zinc/53/63/18/1043536318.db2.gz YTZSRWZFFMFXSE-JYRKZWEQSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561573 1043536331 /nfs/dbraw/zinc/53/63/31/1043536331.db2.gz YTZSRWZFFMFXSE-JYRKZWEQSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561573 1043536339 /nfs/dbraw/zinc/53/63/39/1043536339.db2.gz YTZSRWZFFMFXSE-JYRKZWEQSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561576 1043537290 /nfs/dbraw/zinc/53/72/90/1043537290.db2.gz YTZSRWZFFMFXSE-ZFMNYDKASA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561576 1043537292 /nfs/dbraw/zinc/53/72/92/1043537292.db2.gz YTZSRWZFFMFXSE-ZFMNYDKASA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561576 1043537295 /nfs/dbraw/zinc/53/72/95/1043537295.db2.gz YTZSRWZFFMFXSE-ZFMNYDKASA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561576 1043537298 /nfs/dbraw/zinc/53/72/98/1043537298.db2.gz YTZSRWZFFMFXSE-ZFMNYDKASA-N 2 1 387.568 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]12 ZINC001256612953 1043577754 /nfs/dbraw/zinc/57/77/54/1043577754.db2.gz SVNGXFNVRYKVIP-CEMLEFRQSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]12 ZINC001256612953 1043577761 /nfs/dbraw/zinc/57/77/61/1043577761.db2.gz SVNGXFNVRYKVIP-CEMLEFRQSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]12 ZINC001256612953 1043577768 /nfs/dbraw/zinc/57/77/68/1043577768.db2.gz SVNGXFNVRYKVIP-CEMLEFRQSA-N 2 1 399.579 3.886 20 0 GHADMP O=C(c1ccc(F)cc1F)C1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256698373 1043628771 /nfs/dbraw/zinc/62/87/71/1043628771.db2.gz NKJXYUICXFCSMY-UHFFFAOYSA-N 2 1 392.490 3.503 20 0 GHADMP FC(F)(F)c1cccc([C@@H]2C[N@@H+](C3CCC([NH+]4CCOCC4)CC3)CCO2)c1 ZINC001256700190 1043630802 /nfs/dbraw/zinc/63/08/02/1043630802.db2.gz RZNJHHWXXHTBOC-MHJFOBGBSA-N 2 1 398.469 3.722 20 0 GHADMP FC(F)(F)c1cccc([C@@H]2C[N@H+](C3CCC([NH+]4CCOCC4)CC3)CCO2)c1 ZINC001256700190 1043630804 /nfs/dbraw/zinc/63/08/04/1043630804.db2.gz RZNJHHWXXHTBOC-MHJFOBGBSA-N 2 1 398.469 3.722 20 0 GHADMP C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855905 1043704565 /nfs/dbraw/zinc/70/45/65/1043704565.db2.gz ZKSMYHGAGQGJBS-ROUUACIJSA-N 2 1 388.556 3.676 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894074 1043725878 /nfs/dbraw/zinc/72/58/78/1043725878.db2.gz DMXHWSICYUWFIE-WBVHZDCISA-N 2 1 387.515 3.628 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894074 1043725888 /nfs/dbraw/zinc/72/58/88/1043725888.db2.gz DMXHWSICYUWFIE-WBVHZDCISA-N 2 1 387.515 3.628 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256894228 1043726004 /nfs/dbraw/zinc/72/60/04/1043726004.db2.gz FXRMPRGDNCZDSF-HKUYNNGSSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256894228 1043726017 /nfs/dbraw/zinc/72/60/17/1043726017.db2.gz FXRMPRGDNCZDSF-HKUYNNGSSA-N 2 1 377.573 3.773 20 0 GHADMP [NH3+]CCCP(CCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC001256908783 1043734869 /nfs/dbraw/zinc/73/48/69/1043734869.db2.gz NTZLHVDZYMZQTF-DQUNLGLBSA-N 3 1 375.541 3.529 20 0 GHADMP [NH3+]CCCP(CCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256908783 1043734884 /nfs/dbraw/zinc/73/48/84/1043734884.db2.gz NTZLHVDZYMZQTF-DQUNLGLBSA-N 3 1 375.541 3.529 20 0 GHADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001292497179 1043764161 /nfs/dbraw/zinc/76/41/61/1043764161.db2.gz POFZPFKAPCFXLW-FGTMMUONSA-N 2 1 385.556 3.578 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257068106 1043830090 /nfs/dbraw/zinc/83/00/90/1043830090.db2.gz KZPSNPDUHNIHQF-QFBILLFUSA-N 2 1 398.469 3.991 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001257475353 1044007589 /nfs/dbraw/zinc/00/75/89/1044007589.db2.gz CLNGVISMKMMVCA-WBADGQHESA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001257475353 1044007602 /nfs/dbraw/zinc/00/76/02/1044007602.db2.gz CLNGVISMKMMVCA-WBADGQHESA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001257475353 1044007613 /nfs/dbraw/zinc/00/76/13/1044007613.db2.gz CLNGVISMKMMVCA-WBADGQHESA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001257475351 1044008134 /nfs/dbraw/zinc/00/81/34/1044008134.db2.gz CLNGVISMKMMVCA-MYDTUXCISA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001257475351 1044008140 /nfs/dbraw/zinc/00/81/40/1044008140.db2.gz CLNGVISMKMMVCA-MYDTUXCISA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001257475351 1044008152 /nfs/dbraw/zinc/00/81/52/1044008152.db2.gz CLNGVISMKMMVCA-MYDTUXCISA-N 2 1 379.633 3.852 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)CC1 ZINC001257815242 1044196110 /nfs/dbraw/zinc/19/61/10/1044196110.db2.gz KXQZVGITPDEGID-CVDCTZTESA-N 2 1 391.600 3.974 20 0 GHADMP CCOc1ccc(Cl)cc1C[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001279050467 1044208572 /nfs/dbraw/zinc/20/85/72/1044208572.db2.gz PGDVMSXBRMWVEF-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)[C@H](C)C1 ZINC001257846374 1044218753 /nfs/dbraw/zinc/21/87/53/1044218753.db2.gz WJNKSZVJFSQRIV-QDSUGMFFSA-N 2 1 379.589 3.730 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258050292 1044371333 /nfs/dbraw/zinc/37/13/33/1044371333.db2.gz COWRYSGHCOOVPZ-NMLBUPMWSA-N 2 1 381.605 3.978 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258050292 1044371337 /nfs/dbraw/zinc/37/13/37/1044371337.db2.gz COWRYSGHCOOVPZ-NMLBUPMWSA-N 2 1 381.605 3.978 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(SC)s3)CC2)C1 ZINC001279076174 1044405191 /nfs/dbraw/zinc/40/51/91/1044405191.db2.gz ALVLPJCMKWMVMB-UHFFFAOYSA-N 2 1 384.611 3.769 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(SC)s3)CC2)C1 ZINC001279076174 1044405193 /nfs/dbraw/zinc/40/51/93/1044405193.db2.gz ALVLPJCMKWMVMB-UHFFFAOYSA-N 2 1 384.611 3.769 20 0 GHADMP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC001258131139 1044416509 /nfs/dbraw/zinc/41/65/09/1044416509.db2.gz CDTSLBQQFSDMBY-UHFFFAOYSA-N 2 1 377.454 3.940 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141939 1044429456 /nfs/dbraw/zinc/42/94/56/1044429456.db2.gz QDWOLNXMXLFDBE-XMMPIXPASA-N 2 1 383.580 3.561 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141939 1044429460 /nfs/dbraw/zinc/42/94/60/1044429460.db2.gz QDWOLNXMXLFDBE-XMMPIXPASA-N 2 1 383.580 3.561 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258149229 1044439504 /nfs/dbraw/zinc/43/95/04/1044439504.db2.gz GGLYCCRBRBCJQA-QFIPXVFZSA-N 2 1 395.547 3.641 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258149229 1044439514 /nfs/dbraw/zinc/43/95/14/1044439514.db2.gz GGLYCCRBRBCJQA-QFIPXVFZSA-N 2 1 395.547 3.641 20 0 GHADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001294048728 1044445259 /nfs/dbraw/zinc/44/52/59/1044445259.db2.gz AYAXYRVPYNDXTH-NHCUHLMSSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001294048728 1044445269 /nfs/dbraw/zinc/44/52/69/1044445269.db2.gz AYAXYRVPYNDXTH-NHCUHLMSSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001294048728 1044445279 /nfs/dbraw/zinc/44/52/79/1044445279.db2.gz AYAXYRVPYNDXTH-NHCUHLMSSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001294048728 1044445287 /nfs/dbraw/zinc/44/52/87/1044445287.db2.gz AYAXYRVPYNDXTH-NHCUHLMSSA-N 2 1 375.532 3.513 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CCSC)CC2 ZINC001258217524 1044473715 /nfs/dbraw/zinc/47/37/15/1044473715.db2.gz ORKXUQJJMSFCOG-IRXDYDNUSA-N 2 1 383.627 3.588 20 0 GHADMP C[C@@H](CC1CC1)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258462953 1044571826 /nfs/dbraw/zinc/57/18/26/1044571826.db2.gz UFNJCJQHGZYACF-WDJPJFJCSA-N 2 1 383.580 3.821 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H](C)Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001258617762 1044670675 /nfs/dbraw/zinc/67/06/75/1044670675.db2.gz HWYYZXYOPJNNCD-ZPMCFJSWSA-N 2 1 381.520 3.571 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC(C)(C)C1 ZINC001258684931 1044711995 /nfs/dbraw/zinc/71/19/95/1044711995.db2.gz CRBAYEPAMYDTQU-MANSERQUSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC(C)(C)C1 ZINC001258684931 1044712002 /nfs/dbraw/zinc/71/20/02/1044712002.db2.gz CRBAYEPAMYDTQU-MANSERQUSA-N 2 1 379.589 3.732 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001258774353 1044758251 /nfs/dbraw/zinc/75/82/51/1044758251.db2.gz JKWIVHLNBZATSL-QHCPKHFHSA-N 2 1 389.559 3.619 20 0 GHADMP CCC[NH+]1CCC(N(C)c2nnc(C(C)C)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001294675889 1044760506 /nfs/dbraw/zinc/76/05/06/1044760506.db2.gz SEAHTLFXXZWGNZ-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC(C)C1CCC([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001258798038 1044767570 /nfs/dbraw/zinc/76/75/70/1044767570.db2.gz QNOFUWGDOBZVRM-OAHAVBBTSA-N 2 1 379.589 3.732 20 0 GHADMP CC(C)C1CCC([NH2+]C[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001258798038 1044767584 /nfs/dbraw/zinc/76/75/84/1044767584.db2.gz QNOFUWGDOBZVRM-OAHAVBBTSA-N 2 1 379.589 3.732 20 0 GHADMP CC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258849124 1044790842 /nfs/dbraw/zinc/79/08/42/1044790842.db2.gz MJNHVGDXTLFICR-TZRRMPRUSA-N 2 1 379.548 3.626 20 0 GHADMP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258849124 1044790861 /nfs/dbraw/zinc/79/08/61/1044790861.db2.gz MJNHVGDXTLFICR-TZRRMPRUSA-N 2 1 379.548 3.626 20 0 GHADMP CC[C@@H](Cc1ccccc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258849124 1044790864 /nfs/dbraw/zinc/79/08/64/1044790864.db2.gz MJNHVGDXTLFICR-TZRRMPRUSA-N 2 1 379.548 3.626 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC001258909518 1044863725 /nfs/dbraw/zinc/86/37/25/1044863725.db2.gz FYLOLAVQLQOSMX-XXBNENTESA-N 2 1 387.568 3.635 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001295962859 1045201511 /nfs/dbraw/zinc/20/15/11/1045201511.db2.gz MGJKIXURGWGUTG-FCHUYYIVSA-N 2 1 383.580 3.622 20 0 GHADMP C[S@](=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001262378804 1046254586 /nfs/dbraw/zinc/25/45/86/1046254586.db2.gz LTPSQOKUYXVDDH-RYBWSMFQSA-N 2 1 382.573 3.814 20 0 GHADMP C[C@@H](C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001303540167 1047419112 /nfs/dbraw/zinc/41/91/12/1047419112.db2.gz LQFBJHSLHVPCOT-SFTDATJTSA-N 2 1 397.607 3.805 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC2CCC(C)([NH+]3CCC3)CC2)c1 ZINC001463194600 1070902135 /nfs/dbraw/zinc/90/21/35/1070902135.db2.gz CTSIBBANNSJVOM-XERBYJISSA-N 2 1 383.580 3.873 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC001265192693 1047571696 /nfs/dbraw/zinc/57/16/96/1047571696.db2.gz IBBNYFLQOCFCQZ-ZJSXRUAMSA-N 2 1 393.575 3.986 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC001265192693 1047571703 /nfs/dbraw/zinc/57/17/03/1047571703.db2.gz IBBNYFLQOCFCQZ-ZJSXRUAMSA-N 2 1 393.575 3.986 20 0 GHADMP Brc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)s1 ZINC001279158643 1047732866 /nfs/dbraw/zinc/73/28/66/1047732866.db2.gz NQXIDJTWOXOHHO-SJORKVTESA-N 2 1 395.370 3.959 20 0 GHADMP Cc1cc(Br)cnc1C[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001279462406 1047816718 /nfs/dbraw/zinc/81/67/18/1047816718.db2.gz UIGNACDIGUFHIA-UHFFFAOYSA-N 2 1 378.358 3.993 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CC[NH+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279498723 1047825317 /nfs/dbraw/zinc/82/53/17/1047825317.db2.gz MLZIRVRGXGMBCW-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279498723 1047825323 /nfs/dbraw/zinc/82/53/23/1047825323.db2.gz MLZIRVRGXGMBCW-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)CC1 ZINC001279498723 1047825329 /nfs/dbraw/zinc/82/53/29/1047825329.db2.gz MLZIRVRGXGMBCW-IBGZPJMESA-N 3 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[N@@H+]2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279498723 1047825335 /nfs/dbraw/zinc/82/53/35/1047825335.db2.gz MLZIRVRGXGMBCW-IBGZPJMESA-N 2 1 375.523 3.849 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@@]3(CCN(CCCC(F)(F)F)C3)C2)CC1 ZINC001279498723 1047825339 /nfs/dbraw/zinc/82/53/39/1047825339.db2.gz MLZIRVRGXGMBCW-IBGZPJMESA-N 2 1 375.523 3.849 20 0 GHADMP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1csc(C(F)(F)F)c1)CC2 ZINC001279711585 1047930303 /nfs/dbraw/zinc/93/03/03/1047930303.db2.gz PWPZSYPZADUGPU-UHFFFAOYSA-N 2 1 375.504 3.616 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1csc(C(F)(F)F)c1)CC2 ZINC001279711585 1047930304 /nfs/dbraw/zinc/93/03/04/1047930304.db2.gz PWPZSYPZADUGPU-UHFFFAOYSA-N 2 1 375.504 3.616 20 0 GHADMP CCCC[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001306681612 1048808333 /nfs/dbraw/zinc/80/83/33/1048808333.db2.gz PKGVSGRYYUIQNP-IBGZPJMESA-N 2 1 392.636 3.834 20 0 GHADMP CCCC[NH+](C)CCn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306681612 1048808339 /nfs/dbraw/zinc/80/83/39/1048808339.db2.gz PKGVSGRYYUIQNP-IBGZPJMESA-N 2 1 392.636 3.834 20 0 GHADMP CCCC[NH+](C)CCn1c([C@@H](C)CC)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001306681612 1048808350 /nfs/dbraw/zinc/80/83/50/1048808350.db2.gz PKGVSGRYYUIQNP-IBGZPJMESA-N 2 1 392.636 3.834 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COc1cc(C)ccc1Cl ZINC001307976208 1049733886 /nfs/dbraw/zinc/73/38/86/1049733886.db2.gz SHGGCBMEQUKNCF-FQEVSTJZSA-N 2 1 390.955 3.972 20 0 GHADMP CC(C)C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC1CC[NH+](C)CC1 ZINC001308028738 1049778838 /nfs/dbraw/zinc/77/88/38/1049778838.db2.gz SRIAJARTNRBEHZ-QHCPKHFHSA-N 2 1 385.596 3.870 20 0 GHADMP O[C@@H](C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1)CC1(O)CCCCC1 ZINC001308113145 1049858026 /nfs/dbraw/zinc/85/80/26/1049858026.db2.gz PEBOLXMFMLGIKD-JOCHJYFZSA-N 2 1 386.580 3.520 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(Br)c1O ZINC001308301091 1049943357 /nfs/dbraw/zinc/94/33/57/1049943357.db2.gz XLHSQXVNNQMYOH-UHFFFAOYSA-N 2 1 383.330 3.660 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Br ZINC001308722268 1050071758 /nfs/dbraw/zinc/07/17/58/1050071758.db2.gz XIFQFOMYIAPSTJ-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)[C@H](c2ccccc2)C1 ZINC001308831794 1050113279 /nfs/dbraw/zinc/11/32/79/1050113279.db2.gz LINNHRRRLBDIGE-IVAOSVALSA-N 2 1 399.579 3.757 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC001308865430 1050129983 /nfs/dbraw/zinc/12/99/83/1050129983.db2.gz VTPKXXHKTIKJBL-FQEVSTJZSA-N 2 1 396.531 3.874 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC001308865430 1050129995 /nfs/dbraw/zinc/12/99/95/1050129995.db2.gz VTPKXXHKTIKJBL-FQEVSTJZSA-N 2 1 396.531 3.874 20 0 GHADMP COc1cccc(COc2ccc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)cc2)c1 ZINC001308880742 1050137226 /nfs/dbraw/zinc/13/72/26/1050137226.db2.gz LNCWRMXHXAWPML-XMMPIXPASA-N 2 1 398.547 3.817 20 0 GHADMP COc1cccc(COc2ccc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)cc2)c1 ZINC001308880742 1050137228 /nfs/dbraw/zinc/13/72/28/1050137228.db2.gz LNCWRMXHXAWPML-XMMPIXPASA-N 2 1 398.547 3.817 20 0 GHADMP COC(=O)c1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c(Br)c1 ZINC001308914274 1050164681 /nfs/dbraw/zinc/16/46/81/1050164681.db2.gz MQNQQZAHUWEJQN-UHFFFAOYSA-N 2 1 397.357 3.934 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c(Br)c1 ZINC001308914274 1050164687 /nfs/dbraw/zinc/16/46/87/1050164687.db2.gz MQNQQZAHUWEJQN-UHFFFAOYSA-N 2 1 397.357 3.934 20 0 GHADMP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(-c4ccccc4)nc4ccccc43)C2)CC1 ZINC001327992364 1050348623 /nfs/dbraw/zinc/34/86/23/1050348623.db2.gz CVLPBWUPTZPTJY-LJQANCHMSA-N 2 1 387.531 3.877 20 0 GHADMP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(-c4ccccc4)nc4ccccc43)C2)CC1 ZINC001327992364 1050348637 /nfs/dbraw/zinc/34/86/37/1050348637.db2.gz CVLPBWUPTZPTJY-LJQANCHMSA-N 2 1 387.531 3.877 20 0 GHADMP Brc1ccc(-c2c[nH]c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001328411154 1050500700 /nfs/dbraw/zinc/50/07/00/1050500700.db2.gz AZZXMKZTOMRHAO-UHFFFAOYSA-N 2 1 389.341 3.805 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3nc(-c4ccccc4)c[nH]3)CC2)CC1 ZINC001329061152 1050709314 /nfs/dbraw/zinc/70/93/14/1050709314.db2.gz KBHGMHLIFJBWKJ-UHFFFAOYSA-N 2 1 395.595 3.705 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc(-c4ccccc4)c[nH]3)CC2)CC1 ZINC001329061152 1050709332 /nfs/dbraw/zinc/70/93/32/1050709332.db2.gz KBHGMHLIFJBWKJ-UHFFFAOYSA-N 2 1 395.595 3.705 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC001330704538 1051076145 /nfs/dbraw/zinc/07/61/45/1051076145.db2.gz RDANRBMEBMASRC-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC[NH+](CC)C1 ZINC001330704538 1051076155 /nfs/dbraw/zinc/07/61/55/1051076155.db2.gz RDANRBMEBMASRC-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH+](CC)C1 ZINC001330704538 1051076160 /nfs/dbraw/zinc/07/61/60/1051076160.db2.gz RDANRBMEBMASRC-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(C)[nH+]1 ZINC001310422787 1051346592 /nfs/dbraw/zinc/34/65/92/1051346592.db2.gz YADNBJAYRSQPRP-ILWGZMRPSA-N 2 1 378.520 3.543 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(C)[nH+]1 ZINC001310422787 1051346604 /nfs/dbraw/zinc/34/66/04/1051346604.db2.gz YADNBJAYRSQPRP-ILWGZMRPSA-N 2 1 378.520 3.543 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(C)[nH+]1 ZINC001310422786 1051347266 /nfs/dbraw/zinc/34/72/66/1051347266.db2.gz YADNBJAYRSQPRP-CEMLEFRQSA-N 2 1 378.520 3.543 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(C)[nH+]1 ZINC001310422786 1051347275 /nfs/dbraw/zinc/34/72/75/1051347275.db2.gz YADNBJAYRSQPRP-CEMLEFRQSA-N 2 1 378.520 3.543 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC001310961524 1051736050 /nfs/dbraw/zinc/73/60/50/1051736050.db2.gz GLAHMNRDSDOXKP-ROUUACIJSA-N 2 1 390.597 3.821 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC001333679894 1051806670 /nfs/dbraw/zinc/80/66/70/1051806670.db2.gz NKILKTOYIVBCCK-YDLSIGKMSA-N 2 1 383.580 3.973 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC001333679894 1051806674 /nfs/dbraw/zinc/80/66/74/1051806674.db2.gz NKILKTOYIVBCCK-YDLSIGKMSA-N 2 1 383.580 3.973 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC001333679894 1051806682 /nfs/dbraw/zinc/80/66/82/1051806682.db2.gz NKILKTOYIVBCCK-YDLSIGKMSA-N 2 1 383.580 3.973 20 0 GHADMP CN(C)c1cc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc[nH+]1 ZINC001311077466 1051833705 /nfs/dbraw/zinc/83/37/05/1051833705.db2.gz XUUNAARCTXBFBT-UHFFFAOYSA-N 2 1 381.524 3.845 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001311430532 1052136167 /nfs/dbraw/zinc/13/61/67/1052136167.db2.gz NHPQRPXRGSBJFV-PZJWPPBQSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001311430532 1052136176 /nfs/dbraw/zinc/13/61/76/1052136176.db2.gz NHPQRPXRGSBJFV-PZJWPPBQSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001311430532 1052136190 /nfs/dbraw/zinc/13/61/90/1052136190.db2.gz NHPQRPXRGSBJFV-PZJWPPBQSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1csc2ccccc21 ZINC001335666008 1052148453 /nfs/dbraw/zinc/14/84/53/1052148453.db2.gz NHRYJHCPXUOAPJ-NXHRZFHOSA-N 2 1 398.576 3.573 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487220 1052194811 /nfs/dbraw/zinc/19/48/11/1052194811.db2.gz OVSZXQHOVQJEFZ-XUVXKRRUSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487220 1052194814 /nfs/dbraw/zinc/19/48/14/1052194814.db2.gz OVSZXQHOVQJEFZ-XUVXKRRUSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487220 1052194820 /nfs/dbraw/zinc/19/48/20/1052194820.db2.gz OVSZXQHOVQJEFZ-XUVXKRRUSA-N 2 1 392.975 3.649 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001311572673 1052255018 /nfs/dbraw/zinc/25/50/18/1052255018.db2.gz SJXSYBHTTCOXEQ-FPOVZHCZSA-N 2 1 388.600 3.879 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC001311611332 1052280673 /nfs/dbraw/zinc/28/06/73/1052280673.db2.gz JQPQUDXGFUHAML-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC001311672129 1052318910 /nfs/dbraw/zinc/31/89/10/1052318910.db2.gz JHXDFNTYNORRIC-PLACYPQZSA-N 2 1 380.621 3.553 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC001311692537 1052334361 /nfs/dbraw/zinc/33/43/61/1052334361.db2.gz GSWJUYNJHVOPAP-HXUWFJFHSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001311692537 1052334377 /nfs/dbraw/zinc/33/43/77/1052334377.db2.gz GSWJUYNJHVOPAP-HXUWFJFHSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001311692537 1052334390 /nfs/dbraw/zinc/33/43/90/1052334390.db2.gz GSWJUYNJHVOPAP-HXUWFJFHSA-N 2 1 392.632 3.795 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001312014303 1052529963 /nfs/dbraw/zinc/52/99/63/1052529963.db2.gz ZQYJXFCHZNWLQD-FCHUYYIVSA-N 2 1 384.568 3.530 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001312054325 1052549303 /nfs/dbraw/zinc/54/93/03/1052549303.db2.gz HTFQOWYSEVKEHV-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001312054325 1052549311 /nfs/dbraw/zinc/54/93/11/1052549311.db2.gz HTFQOWYSEVKEHV-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001312054325 1052549316 /nfs/dbraw/zinc/54/93/16/1052549316.db2.gz HTFQOWYSEVKEHV-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001312803139 1052875691 /nfs/dbraw/zinc/87/56/91/1052875691.db2.gz UBGYJAOXJVHRPR-VQTJNVASSA-N 2 1 380.621 3.793 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001312803139 1052875693 /nfs/dbraw/zinc/87/56/93/1052875693.db2.gz UBGYJAOXJVHRPR-VQTJNVASSA-N 2 1 380.621 3.793 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001312803139 1052875697 /nfs/dbraw/zinc/87/56/97/1052875697.db2.gz UBGYJAOXJVHRPR-VQTJNVASSA-N 2 1 380.621 3.793 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313872575 1053265267 /nfs/dbraw/zinc/26/52/67/1053265267.db2.gz WZTDDPXBRUHCHW-QYZOEREBSA-N 2 1 392.636 3.516 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001313872574 1053265939 /nfs/dbraw/zinc/26/59/39/1053265939.db2.gz WZTDDPXBRUHCHW-QRVBRYPASA-N 2 1 392.636 3.516 20 0 GHADMP CN(CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC001343988753 1054164216 /nfs/dbraw/zinc/16/42/16/1054164216.db2.gz JBXPSEYXSFFNKI-CWAQXLGLSA-N 2 1 391.559 3.820 20 0 GHADMP C[N@H+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)Cc1ccccc1 ZINC001343988753 1054164222 /nfs/dbraw/zinc/16/42/22/1054164222.db2.gz JBXPSEYXSFFNKI-CWAQXLGLSA-N 2 1 391.559 3.820 20 0 GHADMP C[N@@H+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)Cc1ccccc1 ZINC001343988753 1054164232 /nfs/dbraw/zinc/16/42/32/1054164232.db2.gz JBXPSEYXSFFNKI-CWAQXLGLSA-N 2 1 391.559 3.820 20 0 GHADMP C[NH+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC001343988753 1054164240 /nfs/dbraw/zinc/16/42/40/1054164240.db2.gz JBXPSEYXSFFNKI-CWAQXLGLSA-N 2 1 391.559 3.820 20 0 GHADMP C[NH+](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC001343988753 1054164246 /nfs/dbraw/zinc/16/42/46/1054164246.db2.gz JBXPSEYXSFFNKI-CWAQXLGLSA-N 2 1 391.559 3.820 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC001318369547 1054592258 /nfs/dbraw/zinc/59/22/58/1054592258.db2.gz RSKYFBMIQPXSBO-QHCPKHFHSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC001318712977 1054815067 /nfs/dbraw/zinc/81/50/67/1054815067.db2.gz FEGVRZNHIHFTLK-FCHUYYIVSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC001318712977 1054815079 /nfs/dbraw/zinc/81/50/79/1054815079.db2.gz FEGVRZNHIHFTLK-FCHUYYIVSA-N 2 1 392.547 3.705 20 0 GHADMP CC(C)[N@@H+](CCc1ccccc1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001318719670 1054823429 /nfs/dbraw/zinc/82/34/29/1054823429.db2.gz USXDEKKKJSHKFW-UHFFFAOYSA-N 2 1 393.575 3.852 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC001319342588 1055194171 /nfs/dbraw/zinc/19/41/71/1055194171.db2.gz VRLKYGGQSYRHRM-QPTUXGOLSA-N 2 1 395.591 3.825 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC001319342588 1055194180 /nfs/dbraw/zinc/19/41/80/1055194180.db2.gz VRLKYGGQSYRHRM-QPTUXGOLSA-N 2 1 395.591 3.825 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC001319342588 1055194185 /nfs/dbraw/zinc/19/41/85/1055194185.db2.gz VRLKYGGQSYRHRM-QPTUXGOLSA-N 2 1 395.591 3.825 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319395112 1055225870 /nfs/dbraw/zinc/22/58/70/1055225870.db2.gz VRNRZCNKAJOSOR-DEOSSOPVSA-N 2 1 379.548 3.610 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC001319911681 1055537261 /nfs/dbraw/zinc/53/72/61/1055537261.db2.gz QMKFMEQJKMWPSW-DEOSSOPVSA-N 2 1 393.575 4.000 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC001321403485 1056248350 /nfs/dbraw/zinc/24/83/50/1056248350.db2.gz KSYAAXGXBJYSHF-UHFFFAOYSA-N 2 1 397.567 3.828 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)o1 ZINC000848893623 1057401676 /nfs/dbraw/zinc/40/16/76/1057401676.db2.gz YNHOKHPLTXJZFQ-IENJSVCTSA-N 2 1 382.504 3.988 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])Nc3cc(F)ccc3F)cc2)C[C@H](C)O1 ZINC000849079512 1057583819 /nfs/dbraw/zinc/58/38/19/1057583819.db2.gz ROHSEAYMPINXIL-GASCZTMLSA-N 2 1 388.462 3.710 20 0 GHADMP C[C@@H](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1ccccc1 ZINC000849091120 1057591083 /nfs/dbraw/zinc/59/10/83/1057591083.db2.gz SSKGOOZECMQHQJ-KRWDZBQOSA-N 2 1 382.508 3.695 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC001442260584 1058940558 /nfs/dbraw/zinc/94/05/58/1058940558.db2.gz SZEBGYWXVLFFNV-FUPPJEDESA-N 2 1 399.623 3.814 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001442260584 1058940566 /nfs/dbraw/zinc/94/05/66/1058940566.db2.gz SZEBGYWXVLFFNV-FUPPJEDESA-N 2 1 399.623 3.814 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001442260584 1058940569 /nfs/dbraw/zinc/94/05/69/1058940569.db2.gz SZEBGYWXVLFFNV-FUPPJEDESA-N 2 1 399.623 3.814 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001443493904 1059138529 /nfs/dbraw/zinc/13/85/29/1059138529.db2.gz LKRIXOXNVKWHDL-HXUWFJFHSA-N 2 1 379.976 3.913 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001443493904 1059138531 /nfs/dbraw/zinc/13/85/31/1059138531.db2.gz LKRIXOXNVKWHDL-HXUWFJFHSA-N 2 1 379.976 3.913 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001349510622 1063760406 /nfs/dbraw/zinc/76/04/06/1063760406.db2.gz QVVWMXQDLFYROQ-GOSISDBHSA-N 2 1 390.597 3.728 20 0 GHADMP C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001437584652 1063902511 /nfs/dbraw/zinc/90/25/11/1063902511.db2.gz IDHIFLAFPACLFU-GOTSBHOMSA-N 2 1 391.559 3.808 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)c1 ZINC001437674032 1063915346 /nfs/dbraw/zinc/91/53/46/1063915346.db2.gz ZPDXBDCSRNGZFW-JOCHJYFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC001437674032 1063915350 /nfs/dbraw/zinc/91/53/50/1063915350.db2.gz ZPDXBDCSRNGZFW-JOCHJYFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001437674032 1063915351 /nfs/dbraw/zinc/91/53/51/1063915351.db2.gz ZPDXBDCSRNGZFW-JOCHJYFZSA-N 2 1 379.548 3.921 20 0 GHADMP C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC001459424615 1064095866 /nfs/dbraw/zinc/09/58/66/1064095866.db2.gz RNJCPQZGMSEGGJ-ZRCGQRJVSA-N 2 1 379.548 3.501 20 0 GHADMP C[C@H](C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459424615 1064095874 /nfs/dbraw/zinc/09/58/74/1064095874.db2.gz RNJCPQZGMSEGGJ-ZRCGQRJVSA-N 2 1 379.548 3.501 20 0 GHADMP C[C@H](C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001459424615 1064095883 /nfs/dbraw/zinc/09/58/83/1064095883.db2.gz RNJCPQZGMSEGGJ-ZRCGQRJVSA-N 2 1 379.548 3.501 20 0 GHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001459905902 1064266208 /nfs/dbraw/zinc/26/62/08/1064266208.db2.gz RYOZDDYYCNWRIS-FYYLOGMGSA-N 2 1 385.596 3.978 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]2COCC[C@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC001351375318 1064415819 /nfs/dbraw/zinc/41/58/19/1064415819.db2.gz SFBSBDFQVYLDRY-YSFYHYPLSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC001351375318 1064415825 /nfs/dbraw/zinc/41/58/25/1064415825.db2.gz SFBSBDFQVYLDRY-YSFYHYPLSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC001351375318 1064415833 /nfs/dbraw/zinc/41/58/33/1064415833.db2.gz SFBSBDFQVYLDRY-YSFYHYPLSA-N 2 1 394.676 3.697 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC001464449420 1065015637 /nfs/dbraw/zinc/01/56/37/1065015637.db2.gz IUFLHCYCBKQRAQ-UNMCSNQZSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001464449420 1065015648 /nfs/dbraw/zinc/01/56/48/1065015648.db2.gz IUFLHCYCBKQRAQ-UNMCSNQZSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001464449420 1065015658 /nfs/dbraw/zinc/01/56/58/1065015658.db2.gz IUFLHCYCBKQRAQ-UNMCSNQZSA-N 2 1 385.596 3.568 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(N4CCCC4)c(C)c3)CC2)CC1 ZINC000847309041 1065026081 /nfs/dbraw/zinc/02/60/81/1065026081.db2.gz AGYVUSTVXVTHJA-UHFFFAOYSA-N 2 1 398.595 3.730 20 0 GHADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001464801610 1065219888 /nfs/dbraw/zinc/21/98/88/1065219888.db2.gz MYFCBVLSNHKYLC-OAQYLSRUSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001464801610 1065219894 /nfs/dbraw/zinc/21/98/94/1065219894.db2.gz MYFCBVLSNHKYLC-OAQYLSRUSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001464801610 1065219901 /nfs/dbraw/zinc/21/99/01/1065219901.db2.gz MYFCBVLSNHKYLC-OAQYLSRUSA-N 2 1 375.532 3.513 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001464801610 1065219903 /nfs/dbraw/zinc/21/99/03/1065219903.db2.gz MYFCBVLSNHKYLC-OAQYLSRUSA-N 2 1 375.532 3.513 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC[N@H+]1C ZINC001464845925 1065241396 /nfs/dbraw/zinc/24/13/96/1065241396.db2.gz KTXDOOVRYJAIQV-XZOQPEGZSA-N 2 1 385.596 3.568 20 0 GHADMP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1 ZINC001300145256 1065448943 /nfs/dbraw/zinc/44/89/43/1065448943.db2.gz PNRLNTOEXSJGKY-UHFFFAOYSA-N 2 1 395.547 3.760 20 0 GHADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1 ZINC001300145256 1065448949 /nfs/dbraw/zinc/44/89/49/1065448949.db2.gz PNRLNTOEXSJGKY-UHFFFAOYSA-N 2 1 395.547 3.760 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC001353242666 1065797994 /nfs/dbraw/zinc/79/79/94/1065797994.db2.gz ZUALOAPEKPANQP-URXFXBBRSA-N 2 1 391.515 3.725 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C2CC2)cc1F ZINC001467195331 1067142507 /nfs/dbraw/zinc/14/25/07/1067142507.db2.gz XGUFQKXTFASXJF-SFHVURJKSA-N 2 1 376.520 3.583 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001477597832 1078484230 /nfs/dbraw/zinc/48/42/30/1078484230.db2.gz GECKENGHQQSMAA-QFBILLFUSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001467692607 1067424516 /nfs/dbraw/zinc/42/45/16/1067424516.db2.gz PBXPBEJPODAUFJ-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001467734713 1067442958 /nfs/dbraw/zinc/44/29/58/1067442958.db2.gz NONYHTFZSFQPHJ-OAQYLSRUSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001467847449 1067496029 /nfs/dbraw/zinc/49/60/29/1067496029.db2.gz WOXMVXCXUGMRRD-LAUBAEHRSA-N 2 1 399.966 3.548 20 0 GHADMP C[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC001467847449 1067496034 /nfs/dbraw/zinc/49/60/34/1067496034.db2.gz WOXMVXCXUGMRRD-LAUBAEHRSA-N 2 1 399.966 3.548 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001468011335 1067563412 /nfs/dbraw/zinc/56/34/12/1067563412.db2.gz PCWUJTRIFGETLK-MOPGFXCFSA-N 2 1 394.629 3.941 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001468057881 1067582836 /nfs/dbraw/zinc/58/28/36/1067582836.db2.gz NQRLIYNWJBRNFG-HSZRJFAPSA-N 2 1 392.547 3.658 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001468057881 1067582840 /nfs/dbraw/zinc/58/28/40/1067582840.db2.gz NQRLIYNWJBRNFG-HSZRJFAPSA-N 2 1 392.547 3.658 20 0 GHADMP Cc1nccc(NCc2cccc(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCC3)c2)n1 ZINC000529720258 1067629582 /nfs/dbraw/zinc/62/95/82/1067629582.db2.gz SHAGDFOTNZFJRA-NRFANRHFSA-N 2 1 393.535 3.534 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC001477799529 1078571674 /nfs/dbraw/zinc/57/16/74/1078571674.db2.gz RARCZXZSGUREFK-VQTJNVASSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001477799529 1078571677 /nfs/dbraw/zinc/57/16/77/1078571677.db2.gz RARCZXZSGUREFK-VQTJNVASSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC001477799529 1078571685 /nfs/dbraw/zinc/57/16/85/1078571685.db2.gz RARCZXZSGUREFK-VQTJNVASSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC001477800365 1078572417 /nfs/dbraw/zinc/57/24/17/1078572417.db2.gz VBEZCPCCFZPDDJ-CBNMVNINSA-N 2 1 378.605 3.737 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC001468444238 1067733355 /nfs/dbraw/zinc/73/33/55/1067733355.db2.gz SABFPQKAURQWHB-HBMCJLEFSA-N 2 1 394.648 3.896 20 0 GHADMP CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)(c2ccccc2)CC1 ZINC001468611090 1067790529 /nfs/dbraw/zinc/79/05/29/1067790529.db2.gz TVDCTCZEPCRMBB-OAQYLSRUSA-N 2 1 393.575 3.677 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001469979754 1068500801 /nfs/dbraw/zinc/50/08/01/1068500801.db2.gz VVLNTAJLEYLEPU-FCHUYYIVSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001469979754 1068500812 /nfs/dbraw/zinc/50/08/12/1068500812.db2.gz VVLNTAJLEYLEPU-FCHUYYIVSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001469979754 1068500826 /nfs/dbraw/zinc/50/08/26/1068500826.db2.gz VVLNTAJLEYLEPU-FCHUYYIVSA-N 2 1 390.616 3.880 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001470086942 1068564756 /nfs/dbraw/zinc/56/47/56/1068564756.db2.gz JHGWDPBJIWXPKB-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001470086942 1068564772 /nfs/dbraw/zinc/56/47/72/1068564772.db2.gz JHGWDPBJIWXPKB-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001470086942 1068564787 /nfs/dbraw/zinc/56/47/87/1068564787.db2.gz JHGWDPBJIWXPKB-VJBWXMMDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001470094462 1068569656 /nfs/dbraw/zinc/56/96/56/1068569656.db2.gz KWQKOMVTYBYNAH-MZKRTTBSSA-N 2 1 394.563 3.766 20 0 GHADMP OC[C@@H]1C[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC[C@@H]1C(F)(F)F ZINC001460085417 1068771047 /nfs/dbraw/zinc/77/10/47/1068771047.db2.gz PWVGTVBKJQDPJA-SFTDATJTSA-N 2 1 398.513 3.824 20 0 GHADMP OC[C@@H]1C[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC[C@@H]1C(F)(F)F ZINC001460085417 1068771052 /nfs/dbraw/zinc/77/10/52/1068771052.db2.gz PWVGTVBKJQDPJA-SFTDATJTSA-N 2 1 398.513 3.824 20 0 GHADMP O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001460207843 1068860989 /nfs/dbraw/zinc/86/09/89/1068860989.db2.gz VZNIEAONXUVJGH-QFIPXVFZSA-N 2 1 385.552 3.916 20 0 GHADMP C[N@H+]1CCN(CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C[C@@H]1C(C)(C)C ZINC001460331481 1068928623 /nfs/dbraw/zinc/92/86/23/1068928623.db2.gz ZQRSSHPTSZOYMA-OAQYLSRUSA-N 2 1 393.019 3.514 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001460550288 1068993051 /nfs/dbraw/zinc/99/30/51/1068993051.db2.gz CMUDXUBNFJFEGP-OFNKIYASSA-N 2 1 391.575 3.961 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001478536962 1078908952 /nfs/dbraw/zinc/90/89/52/1078908952.db2.gz AVWHOKJAZSNPRP-SZPZYZBQSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001478536962 1078908961 /nfs/dbraw/zinc/90/89/61/1078908961.db2.gz AVWHOKJAZSNPRP-SZPZYZBQSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001478536962 1078908962 /nfs/dbraw/zinc/90/89/62/1078908962.db2.gz AVWHOKJAZSNPRP-SZPZYZBQSA-N 2 1 390.616 3.880 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001478597192 1078929768 /nfs/dbraw/zinc/92/97/68/1078929768.db2.gz XQNKBYLEMNQPJI-IIZPIQPGSA-N 2 1 386.584 3.554 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001478597192 1078929769 /nfs/dbraw/zinc/92/97/69/1078929769.db2.gz XQNKBYLEMNQPJI-IIZPIQPGSA-N 2 1 386.584 3.554 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001478597192 1078929771 /nfs/dbraw/zinc/92/97/71/1078929771.db2.gz XQNKBYLEMNQPJI-IIZPIQPGSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC001470653956 1072672376 /nfs/dbraw/zinc/67/23/76/1072672376.db2.gz PLPCABNANFOMJO-LIKPIUCQSA-N 2 1 390.616 3.545 20 0 GHADMP CC1(C)CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001470823197 1072755470 /nfs/dbraw/zinc/75/54/70/1072755470.db2.gz JEPVXNJUYYNWTH-QFIPXVFZSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823197 1072755476 /nfs/dbraw/zinc/75/54/76/1072755476.db2.gz JEPVXNJUYYNWTH-QFIPXVFZSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC001470823197 1072755481 /nfs/dbraw/zinc/75/54/81/1072755481.db2.gz JEPVXNJUYYNWTH-QFIPXVFZSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001470854734 1072773696 /nfs/dbraw/zinc/77/36/96/1072773696.db2.gz NDBMTNOCFOPSKJ-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001470854734 1072773703 /nfs/dbraw/zinc/77/37/03/1072773703.db2.gz NDBMTNOCFOPSKJ-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001470854734 1072773711 /nfs/dbraw/zinc/77/37/11/1072773711.db2.gz NDBMTNOCFOPSKJ-GGAORHGYSA-N 2 1 398.595 3.699 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)[NH+](C)C)cc1 ZINC001478768789 1078981102 /nfs/dbraw/zinc/98/11/02/1078981102.db2.gz DYEHJFWZISLZOF-OAQYLSRUSA-N 2 1 388.600 3.614 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCCCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001471047711 1072903725 /nfs/dbraw/zinc/90/37/25/1072903725.db2.gz WDSKIWPTTLPEQG-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001471047711 1072903726 /nfs/dbraw/zinc/90/37/26/1072903726.db2.gz WDSKIWPTTLPEQG-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CCCCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001471047711 1072903735 /nfs/dbraw/zinc/90/37/35/1072903735.db2.gz WDSKIWPTTLPEQG-VWNXMTODSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001471313723 1073012778 /nfs/dbraw/zinc/01/27/78/1073012778.db2.gz FKSTXYNZJDXBFD-RPWUZVMVSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001471313723 1073012784 /nfs/dbraw/zinc/01/27/84/1073012784.db2.gz FKSTXYNZJDXBFD-RPWUZVMVSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001471313723 1073012788 /nfs/dbraw/zinc/01/27/88/1073012788.db2.gz FKSTXYNZJDXBFD-RPWUZVMVSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001471313725 1073013317 /nfs/dbraw/zinc/01/33/17/1073013317.db2.gz FKSTXYNZJDXBFD-ZEQRLZLVSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001471313725 1073013327 /nfs/dbraw/zinc/01/33/27/1073013327.db2.gz FKSTXYNZJDXBFD-ZEQRLZLVSA-N 2 1 391.559 3.740 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001471313725 1073013336 /nfs/dbraw/zinc/01/33/36/1073013336.db2.gz FKSTXYNZJDXBFD-ZEQRLZLVSA-N 2 1 391.559 3.740 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001471400058 1073053721 /nfs/dbraw/zinc/05/37/21/1073053721.db2.gz SYJJPBSRBOFIBX-DHIUTWEWSA-N 2 1 383.580 3.907 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001471400058 1073053732 /nfs/dbraw/zinc/05/37/32/1073053732.db2.gz SYJJPBSRBOFIBX-DHIUTWEWSA-N 2 1 383.580 3.907 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001471400058 1073053743 /nfs/dbraw/zinc/05/37/43/1073053743.db2.gz SYJJPBSRBOFIBX-DHIUTWEWSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001478957572 1079039561 /nfs/dbraw/zinc/03/95/61/1079039561.db2.gz ROARSQVPEWYSKS-NNWRFLSQSA-N 2 1 388.600 3.674 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001478957572 1079039570 /nfs/dbraw/zinc/03/95/70/1079039570.db2.gz ROARSQVPEWYSKS-NNWRFLSQSA-N 2 1 388.600 3.674 20 0 GHADMP CC(=O)NC[C@@H]1CCC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130050 1073796770 /nfs/dbraw/zinc/79/67/70/1073796770.db2.gz LOSORRPKQXEGRC-UKILVPOCSA-N 2 1 393.575 3.750 20 0 GHADMP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130050 1073796775 /nfs/dbraw/zinc/79/67/75/1073796775.db2.gz LOSORRPKQXEGRC-UKILVPOCSA-N 2 1 393.575 3.750 20 0 GHADMP CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130050 1073796781 /nfs/dbraw/zinc/79/67/81/1073796781.db2.gz LOSORRPKQXEGRC-UKILVPOCSA-N 2 1 393.575 3.750 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCCCC1 ZINC001479221587 1079159527 /nfs/dbraw/zinc/15/95/27/1079159527.db2.gz JJIWGQJYMBTKCG-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC001479221587 1079159531 /nfs/dbraw/zinc/15/95/31/1079159531.db2.gz JJIWGQJYMBTKCG-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCCCC1 ZINC001479221587 1079159535 /nfs/dbraw/zinc/15/95/35/1079159535.db2.gz JJIWGQJYMBTKCG-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192422 1073844691 /nfs/dbraw/zinc/84/46/91/1073844691.db2.gz MMFZBBIPPQHJOD-SJORKVTESA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192422 1073844696 /nfs/dbraw/zinc/84/46/96/1073844696.db2.gz MMFZBBIPPQHJOD-SJORKVTESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192422 1073844700 /nfs/dbraw/zinc/84/47/00/1073844700.db2.gz MMFZBBIPPQHJOD-SJORKVTESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192422 1073844703 /nfs/dbraw/zinc/84/47/03/1073844703.db2.gz MMFZBBIPPQHJOD-SJORKVTESA-N 2 1 375.340 3.539 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC001473251824 1073890184 /nfs/dbraw/zinc/89/01/84/1073890184.db2.gz XNOJNLWBMRDUGB-UHFFFAOYSA-N 2 1 397.563 3.736 20 0 GHADMP CC[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H]1C ZINC001473401644 1073950760 /nfs/dbraw/zinc/95/07/60/1073950760.db2.gz CJDVBUIJEOSZMG-SQGPQFPESA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H]1C ZINC001473401644 1073950761 /nfs/dbraw/zinc/95/07/61/1073950761.db2.gz CJDVBUIJEOSZMG-SQGPQFPESA-N 2 1 377.960 3.714 20 0 GHADMP O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001473526631 1074002730 /nfs/dbraw/zinc/00/27/30/1074002730.db2.gz HQPZXPWFTBQMLM-QFIPXVFZSA-N 2 1 385.552 3.916 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807500 1074153798 /nfs/dbraw/zinc/15/37/98/1074153798.db2.gz PCYXBIQCRZRKKO-FYQPLNBISA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807500 1074153803 /nfs/dbraw/zinc/15/38/03/1074153803.db2.gz PCYXBIQCRZRKKO-FYQPLNBISA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807500 1074153808 /nfs/dbraw/zinc/15/38/08/1074153808.db2.gz PCYXBIQCRZRKKO-FYQPLNBISA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807500 1074153816 /nfs/dbraw/zinc/15/38/16/1074153816.db2.gz PCYXBIQCRZRKKO-FYQPLNBISA-N 2 1 382.470 3.940 20 0 GHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001473810118 1074155453 /nfs/dbraw/zinc/15/54/53/1074155453.db2.gz UOUBUDLCXANXNX-RIFZZMRRSA-N 2 1 391.437 3.774 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001473937311 1074211529 /nfs/dbraw/zinc/21/15/29/1074211529.db2.gz PPXFSCLSIZUSLS-JKSUJKDBSA-N 2 1 377.520 3.779 20 0 GHADMP COCc1c(C)cc(C)c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C ZINC001474029691 1074241279 /nfs/dbraw/zinc/24/12/79/1074241279.db2.gz XBCPOOXHFSWGRV-UHFFFAOYSA-N 2 1 382.552 3.924 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(-c3ccccn3)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC001474073414 1074254947 /nfs/dbraw/zinc/25/49/47/1074254947.db2.gz MZWDMIATCPVADV-UYAOXDASSA-N 2 1 375.520 3.862 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1C(C)(C)C ZINC001474204703 1074292687 /nfs/dbraw/zinc/29/26/87/1074292687.db2.gz IWEOYOQSCZSWDM-OAQYLSRUSA-N 2 1 382.548 3.849 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC001474211574 1074294988 /nfs/dbraw/zinc/29/49/88/1074294988.db2.gz UFCGFLNLPNWJBG-IBGZPJMESA-N 2 1 387.568 3.801 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n(C)c1C ZINC001474294869 1074329378 /nfs/dbraw/zinc/32/93/78/1074329378.db2.gz WQXSNHGNCBLMAW-HKBOAZHASA-N 2 1 395.547 3.510 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC3CCC(OC)CC3)CC2)c1C ZINC001474504667 1074436774 /nfs/dbraw/zinc/43/67/74/1074436774.db2.gz IOVZPKVWYLLEKR-UHFFFAOYSA-N 2 1 389.584 3.808 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC3CCC(OC)CC3)CC2)c1C ZINC001474504667 1074436776 /nfs/dbraw/zinc/43/67/76/1074436776.db2.gz IOVZPKVWYLLEKR-UHFFFAOYSA-N 2 1 389.584 3.808 20 0 GHADMP C[N@@H+](CCN1CCN(Cc2ccccc2)CC1)Cc1cc2c(ccnc2Cl)o1 ZINC001474513270 1074442356 /nfs/dbraw/zinc/44/23/56/1074442356.db2.gz NGFUGIBXGWPWHH-UHFFFAOYSA-N 2 1 398.938 3.731 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc2c(ccnc2Cl)o1 ZINC001474513270 1074442365 /nfs/dbraw/zinc/44/23/65/1074442365.db2.gz NGFUGIBXGWPWHH-UHFFFAOYSA-N 2 1 398.938 3.731 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001474646316 1074497281 /nfs/dbraw/zinc/49/72/81/1074497281.db2.gz YGFSBPAHTFDQTQ-GUDVDZBRSA-N 2 1 377.573 3.534 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c2c1OC(F)(F)O2 ZINC001474653421 1074501210 /nfs/dbraw/zinc/50/12/10/1074501210.db2.gz VVMYIYDUEXVWBY-OAHLLOKOSA-N 2 1 390.430 3.765 20 0 GHADMP CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)[NH+](C)C ZINC001496633600 1079476559 /nfs/dbraw/zinc/47/65/59/1079476559.db2.gz YLNSKIBRZSPUFP-GGPKGHCWSA-N 2 1 392.636 3.687 20 0 GHADMP CC(C)c1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc(C(C)(C)C)n1 ZINC001164680528 719644639 /nfs/dbraw/zinc/64/46/39/719644639.db2.gz UPHUMPDGONTKTL-UHFFFAOYSA-N 2 1 384.572 3.569 20 0 GHADMP CC(C)c1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc(C(C)(C)C)n1 ZINC001164680528 719644644 /nfs/dbraw/zinc/64/46/44/719644644.db2.gz UPHUMPDGONTKTL-UHFFFAOYSA-N 2 1 384.572 3.569 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5c4ccn5C)CC3)C2)cc1 ZINC001164938944 721923244 /nfs/dbraw/zinc/92/32/44/721923244.db2.gz CNFSYVZGQQQBTN-UHFFFAOYSA-N 2 1 390.531 3.753 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186755711 837390048 /nfs/dbraw/zinc/39/00/48/837390048.db2.gz JZGSGUJXJSFISW-OALUTQOASA-N 2 1 398.954 3.596 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000186755711 837390055 /nfs/dbraw/zinc/39/00/55/837390055.db2.gz JZGSGUJXJSFISW-OALUTQOASA-N 2 1 398.954 3.596 20 0 GHADMP C[C@H]1CCCC[C@H]1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431780211 837474669 /nfs/dbraw/zinc/47/46/69/837474669.db2.gz XIXZAXCHBFKDSD-FPOVZHCZSA-N 2 1 392.632 3.650 20 0 GHADMP CC(=O)N(c1nc(CNCCCn2ccnc2)cs1)c1cccc(Cl)c1 ZINC000589034248 837517698 /nfs/dbraw/zinc/51/76/98/837517698.db2.gz GDBVYZGNCQRGTO-UHFFFAOYSA-N 2 1 389.912 3.858 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000414392096 837667306 /nfs/dbraw/zinc/66/73/06/837667306.db2.gz MBIJXOZSAZGDQY-UHFFFAOYSA-N 2 1 379.483 3.782 20 0 GHADMP Brc1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c1 ZINC000655697653 837687844 /nfs/dbraw/zinc/68/78/44/837687844.db2.gz USZNYWCKZKCFBO-LJQANCHMSA-N 2 1 393.369 3.714 20 0 GHADMP Clc1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCOCC2)cc1 ZINC000655700425 837690846 /nfs/dbraw/zinc/69/08/46/837690846.db2.gz HMGJWPQTVBNRSV-NRFANRHFSA-N 2 1 392.971 3.621 20 0 GHADMP COc1cc2c(cc1C[NH2+]C1CCN(CCc3ccccc3)CC1)O[C@@H](C)C2 ZINC000030909957 837692158 /nfs/dbraw/zinc/69/21/58/837692158.db2.gz QUGVOWRRIRZBHF-SFHVURJKSA-N 2 1 380.532 3.815 20 0 GHADMP C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655705332 837694656 /nfs/dbraw/zinc/69/46/56/837694656.db2.gz FKVAUOVEVFKCMV-NVXWUHKLSA-N 2 1 386.458 3.706 20 0 GHADMP CC(C)[C@H](C[NH2+]Cc1oc2ccccc2c1Br)N1CC[NH+](C)CC1 ZINC000655709358 837701521 /nfs/dbraw/zinc/70/15/21/837701521.db2.gz XQBOPLUPTFVQHP-INIZCTEOSA-N 2 1 394.357 3.557 20 0 GHADMP Fc1cc(Br)ccc1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655715499 837718586 /nfs/dbraw/zinc/71/85/86/837718586.db2.gz KVNOIAZYQYARAF-GOSISDBHSA-N 2 1 399.348 3.754 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000545324216 837721188 /nfs/dbraw/zinc/72/11/88/837721188.db2.gz ZJKJCEKGMJVEGO-UHFFFAOYSA-N 2 1 375.948 3.688 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000545324216 837721194 /nfs/dbraw/zinc/72/11/94/837721194.db2.gz ZJKJCEKGMJVEGO-UHFFFAOYSA-N 2 1 375.948 3.688 20 0 GHADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000657762390 834419005 /nfs/dbraw/zinc/41/90/05/834419005.db2.gz HEAYLDXMJXALGO-OAQYLSRUSA-N 2 1 383.580 3.860 20 0 GHADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000657762390 834419009 /nfs/dbraw/zinc/41/90/09/834419009.db2.gz HEAYLDXMJXALGO-OAQYLSRUSA-N 2 1 383.580 3.860 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705335 834520961 /nfs/dbraw/zinc/52/09/61/834520961.db2.gz DYYWNCQBOZGYEO-QKNQBKEWSA-N 2 1 376.541 3.592 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OCC ZINC000650705630 834525367 /nfs/dbraw/zinc/52/53/67/834525367.db2.gz OMFSGLPJCCFZRB-ZJOUEHCJSA-N 2 1 376.541 3.592 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Oc1cccnc1 ZINC000650706424 834537252 /nfs/dbraw/zinc/53/72/52/834537252.db2.gz KIOGEUDWLKMIBU-JTAQYXEDSA-N 2 1 381.520 3.901 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(OCCC)c1 ZINC000650706911 834552466 /nfs/dbraw/zinc/55/24/66/834552466.db2.gz VMOZKSRWHPOWIB-DWLFOUALSA-N 2 1 390.568 3.983 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650709941 834565334 /nfs/dbraw/zinc/56/53/34/834565334.db2.gz YNNIDOZWMCMCEQ-CVDCTZTESA-N 2 1 382.552 3.875 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000583534186 834588124 /nfs/dbraw/zinc/58/81/24/834588124.db2.gz BFCJDFWIUCQGIX-UHFFFAOYSA-N 2 1 387.325 3.838 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000583534186 834588129 /nfs/dbraw/zinc/58/81/29/834588129.db2.gz BFCJDFWIUCQGIX-UHFFFAOYSA-N 2 1 387.325 3.838 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000650721899 834698577 /nfs/dbraw/zinc/69/85/77/834698577.db2.gz FNMCZWCLLZIBOV-FOVJLYNBSA-N 2 1 390.531 3.886 20 0 GHADMP c1ncn(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc2)n1 ZINC000657772953 834719460 /nfs/dbraw/zinc/71/94/60/834719460.db2.gz YIWZMDGHZKIAHA-JOCHJYFZSA-N 2 1 387.531 3.659 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000139366239 834736307 /nfs/dbraw/zinc/73/63/07/834736307.db2.gz CJTRURJMSCNQJH-CVDCTZTESA-N 2 1 377.532 3.848 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000583708112 834902684 /nfs/dbraw/zinc/90/26/84/834902684.db2.gz FJWRDSVSAQORES-MRXNPFEDSA-N 2 1 398.400 3.581 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000583708112 834902694 /nfs/dbraw/zinc/90/26/94/834902694.db2.gz FJWRDSVSAQORES-MRXNPFEDSA-N 2 1 398.400 3.581 20 0 GHADMP Fc1ccccc1COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655754807 837827944 /nfs/dbraw/zinc/82/79/44/837827944.db2.gz HMQZLEWXXZDCHR-OAQYLSRUSA-N 2 1 384.495 3.748 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093336759 835092788 /nfs/dbraw/zinc/09/27/88/835092788.db2.gz AHBWVXINSHMZQI-QHCPKHFHSA-N 3 1 381.564 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000093336759 835092798 /nfs/dbraw/zinc/09/27/98/835092798.db2.gz AHBWVXINSHMZQI-QHCPKHFHSA-N 3 1 381.564 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000093336759 835092809 /nfs/dbraw/zinc/09/28/09/835092809.db2.gz AHBWVXINSHMZQI-QHCPKHFHSA-N 3 1 381.564 3.581 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336759 835092820 /nfs/dbraw/zinc/09/28/20/835092820.db2.gz AHBWVXINSHMZQI-QHCPKHFHSA-N 2 1 381.564 3.581 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336759 835092831 /nfs/dbraw/zinc/09/28/31/835092831.db2.gz AHBWVXINSHMZQI-QHCPKHFHSA-N 2 1 381.564 3.581 20 0 GHADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000614333264 844022570 /nfs/dbraw/zinc/02/25/70/844022570.db2.gz BZCUECRJQMJMEA-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000614333264 844022578 /nfs/dbraw/zinc/02/25/78/844022578.db2.gz BZCUECRJQMJMEA-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000614333264 844022585 /nfs/dbraw/zinc/02/25/85/844022585.db2.gz BZCUECRJQMJMEA-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000278491112 835226197 /nfs/dbraw/zinc/22/61/97/835226197.db2.gz BRVCTKASMFDWIX-UHFFFAOYSA-N 2 1 393.531 3.672 20 0 GHADMP CC[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000394554961 835260007 /nfs/dbraw/zinc/26/00/07/835260007.db2.gz GLGQVCVZHPAVKJ-UHFFFAOYSA-N 2 1 376.136 3.786 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000685651266 835265648 /nfs/dbraw/zinc/26/56/48/835265648.db2.gz TVMVLXXSFVFMGI-QGZVFWFLSA-N 2 1 377.492 3.888 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000650143624 835275371 /nfs/dbraw/zinc/27/53/71/835275371.db2.gz CLLBJMAVBUZCEL-HSZRJFAPSA-N 2 1 380.536 3.577 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)cc12 ZINC000657971429 835324025 /nfs/dbraw/zinc/32/40/25/835324025.db2.gz OCWREIJJUCAUFX-MDNUFGMLSA-N 2 1 389.547 3.667 20 0 GHADMP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000583992771 835364832 /nfs/dbraw/zinc/36/48/32/835364832.db2.gz CWQOGMHUXSOOBU-UHFFFAOYSA-N 2 1 392.330 3.847 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000433363069 844053027 /nfs/dbraw/zinc/05/30/27/844053027.db2.gz QOJHHCNNHILGSJ-GCJKJVERSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000433363069 844053035 /nfs/dbraw/zinc/05/30/35/844053035.db2.gz QOJHHCNNHILGSJ-GCJKJVERSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000433364344 844053548 /nfs/dbraw/zinc/05/35/48/844053548.db2.gz JMBRFQHQSBWYRL-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136492 835445733 /nfs/dbraw/zinc/44/57/33/835445733.db2.gz HDUUPNRRLXHZOT-LADGPHEKSA-N 2 1 392.543 3.745 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC(F)F)c1 ZINC000658137764 835462862 /nfs/dbraw/zinc/46/28/62/835462862.db2.gz IHSVWNJOMMNRBT-HNAYVOBHSA-N 2 1 376.447 3.705 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000658140484 835467349 /nfs/dbraw/zinc/46/73/49/835467349.db2.gz UQYHGDCTKDNASA-DENIHFKCSA-N 2 1 395.503 3.587 20 0 GHADMP CNC(=O)CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000658306538 835553077 /nfs/dbraw/zinc/55/30/77/835553077.db2.gz DQFNFZVOEUAJCP-KOUNCHBCSA-N 2 1 383.580 3.858 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)[C@]1(O)CCCOC1 ZINC000658317204 835571483 /nfs/dbraw/zinc/57/14/83/835571483.db2.gz VRRKUZQFUVZQOW-NXYDZRKXSA-N 2 1 386.580 3.587 20 0 GHADMP COc1cccc2c1OC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000245678348 844082079 /nfs/dbraw/zinc/08/20/79/844082079.db2.gz IHUSDZAPGUBJDG-YUMYIRISSA-N 2 1 378.516 3.784 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c(OC)c1OC ZINC000472365945 835663862 /nfs/dbraw/zinc/66/38/62/835663862.db2.gz GXZBFCZJUFLAHX-LEWJYISDSA-N 2 1 398.547 3.885 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000584232201 835789067 /nfs/dbraw/zinc/78/90/67/835789067.db2.gz JLCXBFXDZOWNTI-UPJWGTAASA-N 2 1 389.849 3.617 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000657849115 835933624 /nfs/dbraw/zinc/93/36/24/835933624.db2.gz FNKXAKNGGMBPOA-ZDUSSCGKSA-N 2 1 378.866 3.990 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177226394 836144155 /nfs/dbraw/zinc/14/41/55/836144155.db2.gz FQDXPHORHHEJLR-UHFFFAOYSA-N 2 1 387.568 3.949 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000664075058 844136134 /nfs/dbraw/zinc/13/61/34/844136134.db2.gz SPQJNVGUFOTOKQ-SEJPIABJSA-N 2 1 386.584 3.602 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000664075058 844136143 /nfs/dbraw/zinc/13/61/43/844136143.db2.gz SPQJNVGUFOTOKQ-SEJPIABJSA-N 2 1 386.584 3.602 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000664075058 844136150 /nfs/dbraw/zinc/13/61/50/844136150.db2.gz SPQJNVGUFOTOKQ-SEJPIABJSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000092665486 844149327 /nfs/dbraw/zinc/14/93/27/844149327.db2.gz HVBNOSGUBJXTJT-OYRHEFFESA-N 2 1 378.564 3.739 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000092665486 844149331 /nfs/dbraw/zinc/14/93/31/844149331.db2.gz HVBNOSGUBJXTJT-OYRHEFFESA-N 2 1 378.564 3.739 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000092665492 844149463 /nfs/dbraw/zinc/14/94/63/844149463.db2.gz HVBNOSGUBJXTJT-NHCUHLMSSA-N 2 1 378.564 3.739 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000109660822 836460707 /nfs/dbraw/zinc/46/07/07/836460707.db2.gz GCIOEWYPCYYALT-XZOQPEGZSA-N 2 1 383.580 3.622 20 0 GHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000120802982 836561293 /nfs/dbraw/zinc/56/12/93/836561293.db2.gz JHYNMXIDAOURIB-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000120802982 836561299 /nfs/dbraw/zinc/56/12/99/836561299.db2.gz JHYNMXIDAOURIB-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)s1 ZINC001279397159 836624255 /nfs/dbraw/zinc/62/42/55/836624255.db2.gz AAAZKZKYIOVEQQ-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)s1 ZINC001279397159 836624258 /nfs/dbraw/zinc/62/42/58/836624258.db2.gz AAAZKZKYIOVEQQ-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332819677 836691688 /nfs/dbraw/zinc/69/16/88/836691688.db2.gz GBLCZIWTZQOBMZ-PMACEKPBSA-N 2 1 386.584 3.874 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332819677 836691694 /nfs/dbraw/zinc/69/16/94/836691694.db2.gz GBLCZIWTZQOBMZ-PMACEKPBSA-N 2 1 386.584 3.874 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000093742015 844192539 /nfs/dbraw/zinc/19/25/39/844192539.db2.gz GSCWFJKOHZEFRC-IBGZPJMESA-N 2 1 383.536 3.833 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175619256 836920546 /nfs/dbraw/zinc/92/05/46/836920546.db2.gz QWZOTQDNQJMNKS-SIKLNZKXSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)cc2)C1 ZINC000414290477 836935749 /nfs/dbraw/zinc/93/57/49/836935749.db2.gz SQJMYOUIZOTKNY-INIZCTEOSA-N 2 1 392.590 3.673 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000512543712 844231974 /nfs/dbraw/zinc/23/19/74/844231974.db2.gz AZWJRTILEHVUJE-LSWJPFSZSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000512543712 844231982 /nfs/dbraw/zinc/23/19/82/844231982.db2.gz AZWJRTILEHVUJE-LSWJPFSZSA-N 2 1 379.548 3.706 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000547828509 837161818 /nfs/dbraw/zinc/16/18/18/837161818.db2.gz RHCQWPGFLAYQDK-CVDCTZTESA-N 2 1 379.548 3.827 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000549770212 844247802 /nfs/dbraw/zinc/24/78/02/844247802.db2.gz QOSMJEMNSSBQQX-ZEQRLZLVSA-N 2 1 393.575 3.578 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000549770212 844247811 /nfs/dbraw/zinc/24/78/11/844247811.db2.gz QOSMJEMNSSBQQX-ZEQRLZLVSA-N 2 1 393.575 3.578 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000549770212 844247818 /nfs/dbraw/zinc/24/78/18/844247818.db2.gz QOSMJEMNSSBQQX-ZEQRLZLVSA-N 2 1 393.575 3.578 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659030401 837311308 /nfs/dbraw/zinc/31/13/08/837311308.db2.gz GOZIZNAKIRWHLD-QFIPXVFZSA-N 2 1 396.535 3.509 20 0 GHADMP C[NH+](C)[C@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000430431739 837324777 /nfs/dbraw/zinc/32/47/77/837324777.db2.gz XYBKCMRDJOKFGQ-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3Sc4ccccc4NC3=O)C2)CC1 ZINC000659864185 837903614 /nfs/dbraw/zinc/90/36/14/837903614.db2.gz KBFHELKPWLRWED-WIYYLYMNSA-N 2 1 387.593 3.933 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H]3Sc4ccccc4NC3=O)C2)CC1 ZINC000659864183 837903902 /nfs/dbraw/zinc/90/39/02/837903902.db2.gz KBFHELKPWLRWED-NQIIRXRSSA-N 2 1 387.593 3.933 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000051501920 837968044 /nfs/dbraw/zinc/96/80/44/837968044.db2.gz UCKQHLPTLRDQBO-SFHVURJKSA-N 2 1 385.577 3.830 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000051501920 837968053 /nfs/dbraw/zinc/96/80/53/837968053.db2.gz UCKQHLPTLRDQBO-SFHVURJKSA-N 2 1 385.577 3.830 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177503221 837985812 /nfs/dbraw/zinc/98/58/12/837985812.db2.gz KMJJENNPVFIIJF-BGYRXZFFSA-N 2 1 387.568 3.535 20 0 GHADMP CC(C)(C)c1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)n(-c2ccccc2)n1 ZINC001210261650 837985925 /nfs/dbraw/zinc/98/59/25/837985925.db2.gz DTBVDSWLPHXTFV-UHFFFAOYSA-N 2 1 376.508 3.718 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579956276 838031720 /nfs/dbraw/zinc/03/17/20/838031720.db2.gz ADXYXYUJSKLFJL-RTBURBONSA-N 2 1 381.486 3.657 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579956276 838031728 /nfs/dbraw/zinc/03/17/28/838031728.db2.gz ADXYXYUJSKLFJL-RTBURBONSA-N 2 1 381.486 3.657 20 0 GHADMP C[C@@H](c1ccc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1)[NH+]1CCOCC1 ZINC000659291640 838216806 /nfs/dbraw/zinc/21/68/06/838216806.db2.gz IPHSLIAEHSGZPK-LAUBAEHRSA-N 2 1 393.531 3.711 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000052208960 844305080 /nfs/dbraw/zinc/30/50/80/844305080.db2.gz IWWLBCJOERQDRF-UHFFFAOYSA-N 2 1 386.005 3.804 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415900454 838246671 /nfs/dbraw/zinc/24/66/71/838246671.db2.gz AJQFNWPFLGLIJE-GCJKJVERSA-N 2 1 380.536 3.828 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2cccc3ccccc32)C2CCCC2)CC1 ZINC001167318376 838248631 /nfs/dbraw/zinc/24/86/31/838248631.db2.gz JRFWNNKFMMUSML-UHFFFAOYSA-N 2 1 379.548 3.749 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2cccc3ccccc32)C2CCCC2)CC1 ZINC001167318376 838248638 /nfs/dbraw/zinc/24/86/38/838248638.db2.gz JRFWNNKFMMUSML-UHFFFAOYSA-N 2 1 379.548 3.749 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1Br ZINC000659314562 838281093 /nfs/dbraw/zinc/28/10/93/838281093.db2.gz KPBOORGKIBZCFK-SFHVURJKSA-N 2 1 388.309 3.684 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000415930226 838287405 /nfs/dbraw/zinc/28/74/05/838287405.db2.gz ZTXBBNYQWXUOKZ-FGZHOGPDSA-N 2 1 394.519 3.514 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000549804282 844312330 /nfs/dbraw/zinc/31/23/30/844312330.db2.gz PYBRALXMBKOZSK-QFBILLFUSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000549804282 844312342 /nfs/dbraw/zinc/31/23/42/844312342.db2.gz PYBRALXMBKOZSK-QFBILLFUSA-N 2 1 380.964 3.506 20 0 GHADMP [NH3+][C@@H](CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000659383096 838346374 /nfs/dbraw/zinc/34/63/74/838346374.db2.gz UBRRAQAXXWOGMF-GOTSBHOMSA-N 2 1 391.559 3.885 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000510307703 838347345 /nfs/dbraw/zinc/34/73/45/838347345.db2.gz NTROCJSDAUERQZ-UHFFFAOYSA-N 2 1 388.515 3.747 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000415976340 838353274 /nfs/dbraw/zinc/35/32/74/838353274.db2.gz VKLNSGMZCLDEBO-UHFFFAOYSA-N 2 1 392.425 3.514 20 0 GHADMP Cn1c2ccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561730 838644449 /nfs/dbraw/zinc/64/44/49/838644449.db2.gz WWLMULLZPRYZGL-UXHICEINSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561730 838644454 /nfs/dbraw/zinc/64/44/54/838644454.db2.gz WWLMULLZPRYZGL-UXHICEINSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561730 838644458 /nfs/dbraw/zinc/64/44/58/838644458.db2.gz WWLMULLZPRYZGL-UXHICEINSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561730 838644462 /nfs/dbraw/zinc/64/44/62/838644462.db2.gz WWLMULLZPRYZGL-UXHICEINSA-N 2 1 393.556 3.554 20 0 GHADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000416196774 838694860 /nfs/dbraw/zinc/69/48/60/838694860.db2.gz KGUQEGDSYRYCJQ-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000416233112 838770995 /nfs/dbraw/zinc/77/09/95/838770995.db2.gz HUIJMAZRASWOAX-KMDXXIMOSA-N 2 1 391.559 3.660 20 0 GHADMP C[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000659973112 839030571 /nfs/dbraw/zinc/03/05/71/839030571.db2.gz MCDGDYCNDNTVLC-DENIHFKCSA-N 2 1 395.572 3.943 20 0 GHADMP C[NH+](CC[C@H]1Sc2ccccc2NC1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659973112 839030578 /nfs/dbraw/zinc/03/05/78/839030578.db2.gz MCDGDYCNDNTVLC-DENIHFKCSA-N 2 1 395.572 3.943 20 0 GHADMP C[NH+](CC[C@H]1Sc2ccccc2NC1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659973112 839030588 /nfs/dbraw/zinc/03/05/88/839030588.db2.gz MCDGDYCNDNTVLC-DENIHFKCSA-N 2 1 395.572 3.943 20 0 GHADMP FC(F)(F)c1cc(Cl)cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415047562 839115460 /nfs/dbraw/zinc/11/54/60/839115460.db2.gz DXXGSLIFGVDJBK-UHFFFAOYSA-N 2 1 375.866 3.665 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000643080935 839127799 /nfs/dbraw/zinc/12/77/99/839127799.db2.gz MYNPYTRPBWRXSC-QPPBQGQZSA-N 2 1 393.531 3.510 20 0 GHADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc(OC)c1OCc1ccccc1 ZINC000415064941 839142576 /nfs/dbraw/zinc/14/25/76/839142576.db2.gz LTRLSKYSZXKOIZ-FQEVSTJZSA-N 2 1 384.520 3.890 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309717093 839150275 /nfs/dbraw/zinc/15/02/75/839150275.db2.gz LDCRYTYKCVIWBC-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415104182 839210362 /nfs/dbraw/zinc/21/03/62/839210362.db2.gz GSBRUDRBHQQDRZ-HNNXBMFYSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415104182 839210372 /nfs/dbraw/zinc/21/03/72/839210372.db2.gz GSBRUDRBHQQDRZ-HNNXBMFYSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)cc3Cl)CC2)C1 ZINC000415116499 839227265 /nfs/dbraw/zinc/22/72/65/839227265.db2.gz BMHWOZPOVMXTAM-WBVHZDCISA-N 2 1 387.749 3.821 20 0 GHADMP C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378563595 839340130 /nfs/dbraw/zinc/34/01/30/839340130.db2.gz SLRQXWLXHLQUHO-IEBWSBKVSA-N 2 1 385.939 3.570 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC000160480851 839408384 /nfs/dbraw/zinc/40/83/84/839408384.db2.gz FDPBQCQXSJRQGN-AZUAARDMSA-N 2 1 397.604 3.645 20 0 GHADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)Cn1nccc1-c1ccncc1 ZINC000173513129 839412208 /nfs/dbraw/zinc/41/22/08/839412208.db2.gz TXSZXLSEHRPAID-UHFFFAOYSA-N 2 1 376.508 3.536 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1F ZINC000535777499 844437622 /nfs/dbraw/zinc/43/76/22/844437622.db2.gz LKVZTYMDXWNITE-MAUKXSAKSA-N 2 1 377.529 3.535 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125486245 839510235 /nfs/dbraw/zinc/51/02/35/839510235.db2.gz AWDRPDRTBHZNDV-INIZCTEOSA-N 2 1 391.357 3.635 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000125486245 839510244 /nfs/dbraw/zinc/51/02/44/839510244.db2.gz AWDRPDRTBHZNDV-INIZCTEOSA-N 2 1 391.357 3.635 20 0 GHADMP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000160522255 839691645 /nfs/dbraw/zinc/69/16/45/839691645.db2.gz GKLMKGQRBWIYHI-RTBURBONSA-N 2 1 397.604 3.645 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000644523946 839773452 /nfs/dbraw/zinc/77/34/52/839773452.db2.gz CDRLMVXFFIWXMN-LYGMZBLVSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NC(=N)SCC[NH3+])c2c1C ZINC001167912232 844486214 /nfs/dbraw/zinc/48/62/14/844486214.db2.gz BOVAISPTDPKKJF-UHFFFAOYSA-N 2 1 392.598 3.579 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)[C@H](C)C1 ZINC000471605309 839953363 /nfs/dbraw/zinc/95/33/63/839953363.db2.gz GDMMVLBXOVXAQB-UTKZUKDTSA-N 2 1 375.532 3.587 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000530977506 839983281 /nfs/dbraw/zinc/98/32/81/839983281.db2.gz HVAUAXDEIHHZJK-HXUWFJFHSA-N 2 1 394.563 3.633 20 0 GHADMP CCn1ccnc1C[N@H+](CCCOc1c(C)cccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000580714878 840050183 /nfs/dbraw/zinc/05/01/83/840050183.db2.gz MVEKTAFVUXTLAO-NRFANRHFSA-N 2 1 396.579 3.933 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCOc1c(C)cccc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000580714878 840050194 /nfs/dbraw/zinc/05/01/94/840050194.db2.gz MVEKTAFVUXTLAO-NRFANRHFSA-N 2 1 396.579 3.933 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1OCc1ccccc1 ZINC000535809332 844512130 /nfs/dbraw/zinc/51/21/30/844512130.db2.gz RODGZZKXHBAYNK-GPXNEJASSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1OCc1ccccc1 ZINC000535809332 844512137 /nfs/dbraw/zinc/51/21/37/844512137.db2.gz RODGZZKXHBAYNK-GPXNEJASSA-N 2 1 380.532 3.949 20 0 GHADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403273 840222123 /nfs/dbraw/zinc/22/21/23/840222123.db2.gz ABKCTKGXUSLIBR-FDDCHVKYSA-N 2 1 379.548 3.570 20 0 GHADMP C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403273 840222136 /nfs/dbraw/zinc/22/21/36/840222136.db2.gz ABKCTKGXUSLIBR-FDDCHVKYSA-N 2 1 379.548 3.570 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126725813 840282799 /nfs/dbraw/zinc/28/27/99/840282799.db2.gz FVPNNNXNFQIIQY-DXJOGWAWSA-N 2 1 394.357 3.771 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126725813 840282808 /nfs/dbraw/zinc/28/28/08/840282808.db2.gz FVPNNNXNFQIIQY-DXJOGWAWSA-N 2 1 394.357 3.771 20 0 GHADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(C(F)(F)F)c1 ZINC000511590731 840300924 /nfs/dbraw/zinc/30/09/24/840300924.db2.gz AYHLUZVKPAZPOJ-UHFFFAOYSA-N 2 1 399.501 3.905 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416976489 840321865 /nfs/dbraw/zinc/32/18/65/840321865.db2.gz OHTOKEGFXBPFTK-FQEVSTJZSA-N 2 1 398.595 3.736 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000416974738 840332676 /nfs/dbraw/zinc/33/26/76/840332676.db2.gz LRPSIUZHQKTVGF-PGRDOPGGSA-N 2 1 380.536 3.560 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)c2cccs2)CC1 ZINC000581027495 840603489 /nfs/dbraw/zinc/60/34/89/840603489.db2.gz SQTHSYDKJAQHIS-NLJSWGTCSA-N 2 1 377.504 3.618 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000417218736 840612489 /nfs/dbraw/zinc/61/24/89/840612489.db2.gz LUMHKYSDVBWLBB-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000417221517 840615850 /nfs/dbraw/zinc/61/58/50/840615850.db2.gz OWBDJSTZCGNVAA-MBSDFSHPSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000417221517 840615855 /nfs/dbraw/zinc/61/58/55/840615855.db2.gz OWBDJSTZCGNVAA-MBSDFSHPSA-N 2 1 392.547 3.974 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417222537 840616690 /nfs/dbraw/zinc/61/66/90/840616690.db2.gz QEKZZUMEIPBJRB-STZQEDGTSA-N 2 1 380.536 3.601 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000511615566 840645598 /nfs/dbraw/zinc/64/55/98/840645598.db2.gz KPVOGENWZHIPNP-OAHLLOKOSA-N 2 1 385.474 3.687 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000511615566 840645603 /nfs/dbraw/zinc/64/56/03/840645603.db2.gz KPVOGENWZHIPNP-OAHLLOKOSA-N 2 1 385.474 3.687 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[NH+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719961 840666395 /nfs/dbraw/zinc/66/63/95/840666395.db2.gz BJYLORHCNGQZQQ-DNQXCXABSA-N 2 1 391.559 3.862 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719961 840666403 /nfs/dbraw/zinc/66/64/03/840666403.db2.gz BJYLORHCNGQZQQ-DNQXCXABSA-N 2 1 391.559 3.862 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)c2)C1 ZINC000584719961 840666413 /nfs/dbraw/zinc/66/64/13/840666413.db2.gz BJYLORHCNGQZQQ-DNQXCXABSA-N 2 1 391.559 3.862 20 0 GHADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000581099195 840701674 /nfs/dbraw/zinc/70/16/74/840701674.db2.gz DCSDWVPWICBUIP-IBGZPJMESA-N 2 1 396.579 3.522 20 0 GHADMP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000581099199 840701998 /nfs/dbraw/zinc/70/19/98/840701998.db2.gz DCSDWVPWICBUIP-LJQANCHMSA-N 2 1 396.579 3.522 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1(O)CCOCC1 ZINC000417375048 840803073 /nfs/dbraw/zinc/80/30/73/840803073.db2.gz BHEKWCFVRAGFIR-BHDDXSALSA-N 2 1 386.580 3.587 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(Cl)c(Br)c1)C1CC[NH+](C)CC1 ZINC000584806748 840931474 /nfs/dbraw/zinc/93/14/74/840931474.db2.gz GMFLXHCUFVLCJX-UHFFFAOYSA-N 2 1 388.781 3.560 20 0 GHADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000430546645 840999052 /nfs/dbraw/zinc/99/90/52/840999052.db2.gz SJFJZZCQASXDLU-HSZRJFAPSA-N 2 1 397.588 3.808 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549475433 841048992 /nfs/dbraw/zinc/04/89/92/841048992.db2.gz FISDXOSPAAYCOL-PXNSSMCTSA-N 2 1 394.991 3.897 20 0 GHADMP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468956 841055072 /nfs/dbraw/zinc/05/50/72/841055072.db2.gz WJJYOBNIJPALDE-YKSBVNFPSA-N 2 1 387.531 3.577 20 0 GHADMP c1c(C[NH2+][C@H]2CCc3ccccc32)nnn1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656468956 841055086 /nfs/dbraw/zinc/05/50/86/841055086.db2.gz WJJYOBNIJPALDE-YKSBVNFPSA-N 2 1 387.531 3.577 20 0 GHADMP O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674061 841087348 /nfs/dbraw/zinc/08/73/48/841087348.db2.gz LMDLYPDOJKKQEW-UKILVPOCSA-N 2 1 394.559 3.696 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674729 841088982 /nfs/dbraw/zinc/08/89/82/841088982.db2.gz CYMAKRRPCMTWRA-UHFFFAOYSA-N 2 1 381.520 3.668 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000312593514 841208977 /nfs/dbraw/zinc/20/89/77/841208977.db2.gz DVPNTIWEBKPWPU-FXAWDEMLSA-N 2 1 378.438 3.851 20 0 GHADMP CC[N@@H+](Cc1ccccc1C(=O)N(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417816929 841211224 /nfs/dbraw/zinc/21/12/24/841211224.db2.gz UKBSXZACCMHALR-OAQYLSRUSA-N 2 1 379.548 3.732 20 0 GHADMP CC[N@H+](Cc1ccccc1C(=O)N(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417816929 841211235 /nfs/dbraw/zinc/21/12/35/841211235.db2.gz UKBSXZACCMHALR-OAQYLSRUSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](Cc1ccccc1C(=O)N(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417816929 841211245 /nfs/dbraw/zinc/21/12/45/841211245.db2.gz UKBSXZACCMHALR-OAQYLSRUSA-N 2 1 379.548 3.732 20 0 GHADMP CC[NH+](Cc1ccccc1C(=O)N(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417816929 841211258 /nfs/dbraw/zinc/21/12/58/841211258.db2.gz UKBSXZACCMHALR-OAQYLSRUSA-N 2 1 379.548 3.732 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660305093 841248260 /nfs/dbraw/zinc/24/82/60/841248260.db2.gz JXTMEOGMDBMNOV-BAGYTPMASA-N 2 1 385.596 3.771 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2OCCc3ccccc32)CC1 ZINC000511641632 841274201 /nfs/dbraw/zinc/27/42/01/841274201.db2.gz SKTFVVQZSVRPPO-DEOSSOPVSA-N 2 1 379.548 3.574 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@H]2OCCc3ccccc32)CC1 ZINC000511641633 841274689 /nfs/dbraw/zinc/27/46/89/841274689.db2.gz SKTFVVQZSVRPPO-XMMPIXPASA-N 2 1 379.548 3.574 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000510420239 841309813 /nfs/dbraw/zinc/30/98/13/841309813.db2.gz PCLIJBVQCAQLNL-KPFFTGBYSA-N 2 1 397.485 3.737 20 0 GHADMP CN(C)C(=O)c1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418059924 841454680 /nfs/dbraw/zinc/45/46/80/841454680.db2.gz BIBBUQVNTYQRFV-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccco3)CC2)CC1 ZINC000661160972 841468456 /nfs/dbraw/zinc/46/84/56/841468456.db2.gz IJRAFWOTYFYJDZ-UHFFFAOYSA-N 2 1 395.547 3.548 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000662739357 841521295 /nfs/dbraw/zinc/52/12/95/841521295.db2.gz MWWYKXHVOCSFJN-NJAFHUGGSA-N 2 1 397.485 3.593 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000042908581 841591872 /nfs/dbraw/zinc/59/18/72/841591872.db2.gz RCASWRBXZCVLDO-UHFFFAOYSA-N 2 1 386.584 3.522 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651812930 841638253 /nfs/dbraw/zinc/63/82/53/841638253.db2.gz PTIYKPKAOLKFOY-KRWDZBQOSA-N 2 1 377.891 3.982 20 0 GHADMP C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H]1CCC[NH3+] ZINC000662893001 841916572 /nfs/dbraw/zinc/91/65/72/841916572.db2.gz IVHHKHFCCOQULC-YFVAEKQCSA-N 2 1 386.584 3.859 20 0 GHADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cc(C)c3ncccc3c2)cc1F ZINC000656790179 841924349 /nfs/dbraw/zinc/92/43/49/841924349.db2.gz OGJBPDHEPZEBDP-FPOVZHCZSA-N 2 1 379.479 3.926 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccccn3)cc2)C1 ZINC000647171721 841953481 /nfs/dbraw/zinc/95/34/81/841953481.db2.gz UBYODBRTZABRAI-IBGZPJMESA-N 2 1 375.520 3.789 20 0 GHADMP Brc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166356060 842017199 /nfs/dbraw/zinc/01/71/99/842017199.db2.gz LKCVHIRASSWPGS-RTBURBONSA-N 2 1 393.369 3.714 20 0 GHADMP CC[C@@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555561280 861262688 /nfs/dbraw/zinc/26/26/88/861262688.db2.gz MNVVAYNEYUMFJT-QFIPXVFZSA-N 2 1 383.536 3.613 20 0 GHADMP c1ccc(COCc2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655689419 861285257 /nfs/dbraw/zinc/28/52/57/861285257.db2.gz DBSOOXGXYUSLMD-DEOSSOPVSA-N 2 1 380.532 3.746 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000652347114 842315955 /nfs/dbraw/zinc/31/59/55/842315955.db2.gz SAEDULVDYSSMFH-SUMDDJOVSA-N 2 1 375.900 3.713 20 0 GHADMP C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512055668 842352150 /nfs/dbraw/zinc/35/21/50/842352150.db2.gz YUZGVDHYIMQDNH-LLVKDONJSA-N 2 1 386.334 3.827 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(CC[NH3+])CC1 ZINC000652359391 842368090 /nfs/dbraw/zinc/36/80/90/842368090.db2.gz QSAMVULLXYNFPD-NSHDSACASA-N 2 1 377.838 3.747 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657390 861302135 /nfs/dbraw/zinc/30/21/35/861302135.db2.gz PRSYXWFRCTYJLJ-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623657390 861302157 /nfs/dbraw/zinc/30/21/57/861302157.db2.gz PRSYXWFRCTYJLJ-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000120318354 842402273 /nfs/dbraw/zinc/40/22/73/842402273.db2.gz TVWUBDQKCCSXSH-OAQYLSRUSA-N 2 1 392.563 3.582 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCCO1 ZINC000432408951 842403603 /nfs/dbraw/zinc/40/36/03/842403603.db2.gz DOXUGWJSLFSJFJ-CRAIPNDOSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCCO1 ZINC000432408951 842403608 /nfs/dbraw/zinc/40/36/08/842403608.db2.gz DOXUGWJSLFSJFJ-CRAIPNDOSA-N 2 1 397.357 3.753 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)CC(C)C ZINC000510475353 842443154 /nfs/dbraw/zinc/44/31/54/842443154.db2.gz CIIYOWVXQWWLIW-DYXWJJEUSA-N 2 1 380.621 3.695 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)[C@H]1C ZINC000662224608 842960043 /nfs/dbraw/zinc/96/00/43/842960043.db2.gz PIRDAQZLOZHHFE-UEQSERJNSA-N 2 1 392.676 3.907 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)[C@@H]1C ZINC000662224608 842960047 /nfs/dbraw/zinc/96/00/47/842960047.db2.gz PIRDAQZLOZHHFE-UEQSERJNSA-N 2 1 392.676 3.907 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)[C@@H]1C ZINC000662224608 842960054 /nfs/dbraw/zinc/96/00/54/842960054.db2.gz PIRDAQZLOZHHFE-UEQSERJNSA-N 2 1 392.676 3.907 20 0 GHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC001167492967 843059770 /nfs/dbraw/zinc/05/97/70/843059770.db2.gz VFKDREWPWLQVGI-HJOGWXRNSA-N 2 1 393.575 3.982 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295103 843086901 /nfs/dbraw/zinc/08/69/01/843086901.db2.gz FFJPXUIVCNGBHZ-QKLQHJQFSA-N 2 1 383.536 3.710 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000662295100 843087120 /nfs/dbraw/zinc/08/71/20/843087120.db2.gz FFJPXUIVCNGBHZ-ABSDTBQOSA-N 2 1 383.536 3.710 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295668 843087806 /nfs/dbraw/zinc/08/78/06/843087806.db2.gz HOFFRRLUXKEPOW-INIZCTEOSA-N 2 1 394.441 3.967 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299035 843090938 /nfs/dbraw/zinc/09/09/38/843090938.db2.gz ZIHWFPAHJYKTOL-NVXWUHKLSA-N 2 1 393.959 3.696 20 0 GHADMP COCCOc1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000512212218 843107041 /nfs/dbraw/zinc/10/70/41/843107041.db2.gz KRLOLCNWUJAQPK-CTNGQTDRSA-N 2 1 390.568 3.807 20 0 GHADMP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000662337048 843148143 /nfs/dbraw/zinc/14/81/43/843148143.db2.gz IRBQVQPDQIRKTC-SFHVURJKSA-N 2 1 399.542 3.769 20 0 GHADMP CCc1cccc(OCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662326971 843155133 /nfs/dbraw/zinc/15/51/33/843155133.db2.gz BTTYKYGBORAPAA-UHFFFAOYSA-N 2 1 382.552 3.698 20 0 GHADMP CCOc1ccccc1OCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327740 843155921 /nfs/dbraw/zinc/15/59/21/843155921.db2.gz LTSLDWOJUHPDES-UHFFFAOYSA-N 2 1 398.551 3.534 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)cc21 ZINC000662362821 843159540 /nfs/dbraw/zinc/15/95/40/843159540.db2.gz SJJMHSPXWKRZFT-OAQYLSRUSA-N 2 1 395.522 3.552 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)cc21 ZINC000662362821 843159545 /nfs/dbraw/zinc/15/95/45/843159545.db2.gz SJJMHSPXWKRZFT-OAQYLSRUSA-N 2 1 395.522 3.552 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000662525929 843382477 /nfs/dbraw/zinc/38/24/77/843382477.db2.gz ZWJUPRMLPFCMJN-NRFANRHFSA-N 2 1 383.923 3.609 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000662525929 843382488 /nfs/dbraw/zinc/38/24/88/843382488.db2.gz ZWJUPRMLPFCMJN-NRFANRHFSA-N 2 1 383.923 3.609 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425015533 843384623 /nfs/dbraw/zinc/38/46/23/843384623.db2.gz VPZFMUMLHZKPBM-BJKOFHAPSA-N 2 1 389.543 3.629 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnccc3-c3ccccc3)CC2)CC1 ZINC000614022373 843466862 /nfs/dbraw/zinc/46/68/62/843466862.db2.gz SLGXOQMTONJOQJ-UHFFFAOYSA-N 2 1 392.547 3.883 20 0 GHADMP CC[NH+]1CCN(c2ccc(CNc3cc(C(F)(F)F)cc(C)[nH+]3)cn2)CC1 ZINC000663391606 843470006 /nfs/dbraw/zinc/47/00/06/843470006.db2.gz YNCVBRHSMSBDPD-UHFFFAOYSA-N 2 1 379.430 3.558 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418657835 843507028 /nfs/dbraw/zinc/50/70/28/843507028.db2.gz INUAABJWYUPWCT-NFBKMPQASA-N 2 1 394.563 3.773 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182376469 843543104 /nfs/dbraw/zinc/54/31/04/843543104.db2.gz STVIUSUHLCKSEW-SIKLNZKXSA-N 2 1 398.595 3.735 20 0 GHADMP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1F ZINC000555617483 861435686 /nfs/dbraw/zinc/43/56/86/861435686.db2.gz FGAKQNBOQPXDTQ-FQEVSTJZSA-N 2 1 386.486 3.983 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C[C@@H](C)O1 ZINC000303143767 843703127 /nfs/dbraw/zinc/70/31/27/843703127.db2.gz LHHKAGMVRMQNGF-HZPDHXFCSA-N 2 1 381.358 3.770 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001167822603 843732431 /nfs/dbraw/zinc/73/24/31/843732431.db2.gz IVSZEIQYTKKVHR-NHCUHLMSSA-N 3 1 391.600 3.845 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(C[C@@H](N(C)Cc3ccco3)CO2)CC1 ZINC001167822603 843732443 /nfs/dbraw/zinc/73/24/43/843732443.db2.gz IVSZEIQYTKKVHR-NHCUHLMSSA-N 2 1 391.600 3.845 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C[C@@H]4CCC5(CCCCC5)O4)CC3)C2)cc1 ZINC000512426832 843767989 /nfs/dbraw/zinc/76/79/89/843767989.db2.gz JAFBBGLVNXGUAI-ZEQRLZLVSA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@@H]4CCC5(CCCCC5)O4)CC3)C2)cc1 ZINC000512426832 843767999 /nfs/dbraw/zinc/76/79/99/843767999.db2.gz JAFBBGLVNXGUAI-ZEQRLZLVSA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](Cc4ccc5ncccc5c4)CC3)C2)cc1 ZINC000512455133 843856217 /nfs/dbraw/zinc/85/62/17/843856217.db2.gz ANTOLSLADZMUEZ-XMMPIXPASA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4ccc5ncccc5c4)CC3)C2)cc1 ZINC000512455133 843856229 /nfs/dbraw/zinc/85/62/29/843856229.db2.gz ANTOLSLADZMUEZ-XMMPIXPASA-N 2 1 386.543 3.627 20 0 GHADMP Fc1ccc(SCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512456688 843858980 /nfs/dbraw/zinc/85/89/80/843858980.db2.gz ONIFDURLKFXTLO-QFIPXVFZSA-N 2 1 399.579 3.810 20 0 GHADMP Fc1ccc(SCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512456688 843858990 /nfs/dbraw/zinc/85/89/90/843858990.db2.gz ONIFDURLKFXTLO-QFIPXVFZSA-N 2 1 399.579 3.810 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000179078914 861466404 /nfs/dbraw/zinc/46/64/04/861466404.db2.gz VQFQKJFXHLRQTD-PKTZIBPZSA-N 2 1 392.547 3.527 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000512460634 843877930 /nfs/dbraw/zinc/87/79/30/843877930.db2.gz UIQCTMHCIWDFMB-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1cccc(F)c1 ZINC000051588338 843967708 /nfs/dbraw/zinc/96/77/08/843967708.db2.gz NPZMLUKVRQDLOP-UHFFFAOYSA-N 2 1 397.538 3.737 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1cccc(F)c1 ZINC000051588338 843967714 /nfs/dbraw/zinc/96/77/14/843967714.db2.gz NPZMLUKVRQDLOP-UHFFFAOYSA-N 2 1 397.538 3.737 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512489886 843999462 /nfs/dbraw/zinc/99/94/62/843999462.db2.gz UCPDUPLSRNHMSO-YYAJDYIMSA-N 2 1 397.485 3.657 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000512489886 843999464 /nfs/dbraw/zinc/99/94/64/843999464.db2.gz UCPDUPLSRNHMSO-YYAJDYIMSA-N 2 1 397.485 3.657 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000512489886 843999466 /nfs/dbraw/zinc/99/94/66/843999466.db2.gz UCPDUPLSRNHMSO-YYAJDYIMSA-N 2 1 397.485 3.657 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)NC1CCCCC1 ZINC000512621178 844766246 /nfs/dbraw/zinc/76/62/46/844766246.db2.gz VGTCXSDSQOAKIA-AKIFATBCSA-N 2 1 383.580 3.716 20 0 GHADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000512624308 844818205 /nfs/dbraw/zinc/81/82/05/844818205.db2.gz ICEKSZASGGVYNB-WBADGQHESA-N 2 1 378.564 3.959 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000512637504 844849131 /nfs/dbraw/zinc/84/91/31/844849131.db2.gz WLZNHJWNJWDNOW-KMDXXIMOSA-N 2 1 391.559 3.827 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512647792 844879784 /nfs/dbraw/zinc/87/97/84/844879784.db2.gz JNMDOAGDEZIVND-TZRRMPRUSA-N 2 1 391.559 3.827 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)NCc1ccccc1 ZINC000512668286 844973179 /nfs/dbraw/zinc/97/31/79/844973179.db2.gz UISQLGWLMRJEOA-RBZQAINGSA-N 2 1 391.559 3.583 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000513267159 845158348 /nfs/dbraw/zinc/15/83/48/845158348.db2.gz KOHWQCCPFCQSAQ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000513267159 845158359 /nfs/dbraw/zinc/15/83/59/845158359.db2.gz KOHWQCCPFCQSAQ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513267159 845158366 /nfs/dbraw/zinc/15/83/66/845158366.db2.gz KOHWQCCPFCQSAQ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000131658260 861558373 /nfs/dbraw/zinc/55/83/73/861558373.db2.gz QSRUPYYXWZOJGJ-LZNRXBQRSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000131658260 861558383 /nfs/dbraw/zinc/55/83/83/861558383.db2.gz QSRUPYYXWZOJGJ-LZNRXBQRSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+]1CCc2ccccc2C1 ZINC000131658260 861558391 /nfs/dbraw/zinc/55/83/91/861558391.db2.gz QSRUPYYXWZOJGJ-LZNRXBQRSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCc2ccccc2C1 ZINC000131658260 861558398 /nfs/dbraw/zinc/55/83/98/861558398.db2.gz QSRUPYYXWZOJGJ-LZNRXBQRSA-N 2 1 397.588 3.694 20 0 GHADMP O=C1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]2N1C1CC1 ZINC000411402330 845413247 /nfs/dbraw/zinc/41/32/47/845413247.db2.gz ZZCVBZZUURVZLB-FYYLOGMGSA-N 2 1 381.564 3.648 20 0 GHADMP COC(=O)N1CCC([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000248752469 845434347 /nfs/dbraw/zinc/43/43/47/845434347.db2.gz CCJQMKBDXNQCPE-MVWVFHAYSA-N 2 1 385.552 3.639 20 0 GHADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433127444 845460564 /nfs/dbraw/zinc/46/05/64/845460564.db2.gz HSQCYGJBZQGKSG-IRLDBZIGSA-N 2 1 383.580 3.669 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)CC1 ZINC000512768811 845466021 /nfs/dbraw/zinc/46/60/21/845466021.db2.gz JVIDFRFLVUDNKF-UHFFFAOYSA-N 2 1 386.971 3.879 20 0 GHADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503724 845520833 /nfs/dbraw/zinc/52/08/33/845520833.db2.gz CWHGMKMQUGXQKM-RBBKRZOGSA-N 2 1 385.552 3.594 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503724 845520843 /nfs/dbraw/zinc/52/08/43/845520843.db2.gz CWHGMKMQUGXQKM-RBBKRZOGSA-N 2 1 385.552 3.594 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503724 845520854 /nfs/dbraw/zinc/52/08/54/845520854.db2.gz CWHGMKMQUGXQKM-RBBKRZOGSA-N 2 1 385.552 3.594 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001167503724 845520863 /nfs/dbraw/zinc/52/08/63/845520863.db2.gz CWHGMKMQUGXQKM-RBBKRZOGSA-N 2 1 385.552 3.594 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1)C1CCOCC1 ZINC000102781558 845585270 /nfs/dbraw/zinc/58/52/70/845585270.db2.gz GZZIYSUQLSNOPQ-UHFFFAOYSA-N 2 1 390.474 3.744 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cn2ncc3ccccc3c2=O)cc1 ZINC000179515337 861612751 /nfs/dbraw/zinc/61/27/51/861612751.db2.gz BYCPBHVJQFNHLM-SJORKVTESA-N 2 1 387.487 3.630 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000431329640 845978099 /nfs/dbraw/zinc/97/80/99/845978099.db2.gz SHHMWTNJGQWCTM-FQEVSTJZSA-N 2 1 379.976 3.725 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000653214909 846046218 /nfs/dbraw/zinc/04/62/18/846046218.db2.gz HGEFAWBTSCWVEW-SFHVURJKSA-N 2 1 380.536 3.529 20 0 GHADMP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CCN(C)CC3)cc2o1 ZINC000279997775 846262188 /nfs/dbraw/zinc/26/21/88/846262188.db2.gz KWFQRFJNCPNWEV-NHCUHLMSSA-N 2 1 398.551 3.545 20 0 GHADMP COC[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000657329212 846269849 /nfs/dbraw/zinc/26/98/49/846269849.db2.gz JXQUGBJXJYKTGN-PMACEKPBSA-N 2 1 398.547 3.611 20 0 GHADMP COC[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000657329212 846269860 /nfs/dbraw/zinc/26/98/60/846269860.db2.gz JXQUGBJXJYKTGN-PMACEKPBSA-N 2 1 398.547 3.611 20 0 GHADMP COCCOCc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582094291 846304150 /nfs/dbraw/zinc/30/41/50/846304150.db2.gz DRWMRCCIJVXZDM-DQEYMECFSA-N 2 1 394.559 3.804 20 0 GHADMP COCCOCc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582094291 846304155 /nfs/dbraw/zinc/30/41/55/846304155.db2.gz DRWMRCCIJVXZDM-DQEYMECFSA-N 2 1 394.559 3.804 20 0 GHADMP COCCOCc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000582094291 846304164 /nfs/dbraw/zinc/30/41/64/846304164.db2.gz DRWMRCCIJVXZDM-DQEYMECFSA-N 2 1 394.559 3.804 20 0 GHADMP F[C@H]1CC2(CC[C@H]1[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)OCCO2 ZINC000892184948 846329606 /nfs/dbraw/zinc/32/96/06/846329606.db2.gz BPRRHJDKKNFXNX-LEWJYISDSA-N 2 1 388.527 3.608 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc4ccccc4s3)CC2)CC1 ZINC000093141551 846438405 /nfs/dbraw/zinc/43/84/05/846438405.db2.gz PBFBRCLSDGDLFQ-UHFFFAOYSA-N 2 1 385.577 3.668 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280697959 846494679 /nfs/dbraw/zinc/49/46/79/846494679.db2.gz AFRIJYQHKHFLGT-UHFFFAOYSA-N 2 1 383.536 3.741 20 0 GHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501040879 846563986 /nfs/dbraw/zinc/56/39/86/846563986.db2.gz TVXIACIQSNCMKI-IBGZPJMESA-N 2 1 380.536 3.874 20 0 GHADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501047859 846574290 /nfs/dbraw/zinc/57/42/90/846574290.db2.gz UBZBOGIWNUCCMR-UHFFFAOYSA-N 2 1 386.927 3.830 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000502896272 846589282 /nfs/dbraw/zinc/58/92/82/846589282.db2.gz UJJCUGDIWGLUEY-IRLDBZIGSA-N 2 1 386.584 3.777 20 0 GHADMP C[N@H+](Cc1cnn(Cc2ccccc2)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085798 846629052 /nfs/dbraw/zinc/62/90/52/846629052.db2.gz IDUJGRKLBZAJKC-UHFFFAOYSA-N 2 1 375.520 3.675 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000421842240 846632673 /nfs/dbraw/zinc/63/26/73/846632673.db2.gz NGLBDEZKJSNNCC-MGPUTAFESA-N 2 1 376.903 3.767 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C(C)C)c(F)c1 ZINC000421842072 846632756 /nfs/dbraw/zinc/63/27/56/846632756.db2.gz KOKXRDYJEURZIH-BHDDXSALSA-N 2 1 378.532 3.889 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000414563249 846746022 /nfs/dbraw/zinc/74/60/22/846746022.db2.gz VVZDQNYGPFHUMT-SFHVURJKSA-N 2 1 384.524 3.910 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCCC1)c1ccccc1 ZINC000503151522 846845294 /nfs/dbraw/zinc/84/52/94/846845294.db2.gz LFPQIQQQLKCZAN-QUCCMNQESA-N 2 1 398.551 3.845 20 0 GHADMP CCC[C@@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582368214 846970672 /nfs/dbraw/zinc/97/06/72/846970672.db2.gz ASQJOQMYDGCWBE-QFIPXVFZSA-N 2 1 385.596 3.710 20 0 GHADMP C[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272378398 847063449 /nfs/dbraw/zinc/06/34/49/847063449.db2.gz HJBUDEWOCZQBFM-PZJWPPBQSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501729039 847137319 /nfs/dbraw/zinc/13/73/19/847137319.db2.gz GPMDGBHLOSATRD-LJQANCHMSA-N 2 1 399.501 3.860 20 0 GHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000420365964 847141899 /nfs/dbraw/zinc/14/18/99/847141899.db2.gz QPGWEADAQACZGS-CTNGQTDRSA-N 2 1 385.939 3.523 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272811262 847179865 /nfs/dbraw/zinc/17/98/65/847179865.db2.gz ARCVBAYXDROITF-WIYYLYMNSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272811262 847179872 /nfs/dbraw/zinc/17/98/72/847179872.db2.gz ARCVBAYXDROITF-WIYYLYMNSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272897222 847202122 /nfs/dbraw/zinc/20/21/22/847202122.db2.gz JEPKHAWLXMYWGX-DENIHFKCSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000501828453 847219920 /nfs/dbraw/zinc/21/99/20/847219920.db2.gz PJLFVQKFWBKIGF-IRLDBZIGSA-N 2 1 386.584 3.635 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]C3CC[NH+](C4CCC4)CC3)cnc12 ZINC000273151095 847260451 /nfs/dbraw/zinc/26/04/51/847260451.db2.gz XOHBPTPWGWQNTK-UHFFFAOYSA-N 2 1 377.330 3.512 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000501855212 847264602 /nfs/dbraw/zinc/26/46/02/847264602.db2.gz LXLBTRLMVACQEJ-JROBLHLSSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501855212 847264608 /nfs/dbraw/zinc/26/46/08/847264608.db2.gz LXLBTRLMVACQEJ-JROBLHLSSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501855212 847264620 /nfs/dbraw/zinc/26/46/20/847264620.db2.gz LXLBTRLMVACQEJ-JROBLHLSSA-N 2 1 398.595 3.602 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237101918 847328766 /nfs/dbraw/zinc/32/87/66/847328766.db2.gz KOEXPOOSJYBZOS-ROUUACIJSA-N 2 1 381.520 3.658 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000420767210 847434005 /nfs/dbraw/zinc/43/40/05/847434005.db2.gz UJRIYMJNRYICJJ-JOCHJYFZSA-N 2 1 394.563 3.651 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050137798 847440014 /nfs/dbraw/zinc/44/00/14/847440014.db2.gz LURAPOCFOFSYJJ-GOSISDBHSA-N 2 1 392.613 3.572 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000481584403 861800137 /nfs/dbraw/zinc/80/01/37/861800137.db2.gz SQPZKYXJBNEMDV-HMFYCAOWSA-N 2 1 379.504 3.514 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000481584403 861800158 /nfs/dbraw/zinc/80/01/58/861800158.db2.gz SQPZKYXJBNEMDV-HMFYCAOWSA-N 2 1 379.504 3.514 20 0 GHADMP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)c2ccccc2C1 ZINC000511170016 847712203 /nfs/dbraw/zinc/71/22/03/847712203.db2.gz KIDPQVAIMGZHIG-FQEVSTJZSA-N 2 1 399.485 3.622 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)c2ccccc2C1 ZINC000511170016 847712209 /nfs/dbraw/zinc/71/22/09/847712209.db2.gz KIDPQVAIMGZHIG-FQEVSTJZSA-N 2 1 399.485 3.622 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c2ccccc2C1 ZINC000511170016 847712219 /nfs/dbraw/zinc/71/22/19/847712219.db2.gz KIDPQVAIMGZHIG-FQEVSTJZSA-N 2 1 399.485 3.622 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c2ccccc2C1 ZINC000511170016 847712221 /nfs/dbraw/zinc/71/22/21/847712221.db2.gz KIDPQVAIMGZHIG-FQEVSTJZSA-N 2 1 399.485 3.622 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000513788854 847712411 /nfs/dbraw/zinc/71/24/11/847712411.db2.gz YQZFFWCTEBICAM-UHFFFAOYSA-N 2 1 383.330 3.732 20 0 GHADMP Cc1cc(C)c(-c2csc(NC(=O)C[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)cc1C ZINC000582606628 847755405 /nfs/dbraw/zinc/75/54/05/847755405.db2.gz SPKUTGHGQNBOCQ-MRXNPFEDSA-N 2 1 386.565 3.733 20 0 GHADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422697940 847772606 /nfs/dbraw/zinc/77/26/06/847772606.db2.gz WXYPIUMUPDAFCJ-LADGPHEKSA-N 2 1 379.548 3.874 20 0 GHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422800374 847829876 /nfs/dbraw/zinc/82/98/76/847829876.db2.gz ZYXFXPCNMWGJFC-KSMMKXTCSA-N 2 1 380.941 3.548 20 0 GHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422805207 847830554 /nfs/dbraw/zinc/83/05/54/847830554.db2.gz ITDWASJRCVGRAI-VWNXMTODSA-N 2 1 377.532 3.628 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422831974 847845392 /nfs/dbraw/zinc/84/53/92/847845392.db2.gz XBXNERKDEFHNEN-MAUKXSAKSA-N 2 1 389.927 3.534 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911549 847884159 /nfs/dbraw/zinc/88/41/59/847884159.db2.gz KYHJRNGHOCFASP-UPVQGACJSA-N 3 1 379.548 3.872 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911549 847884169 /nfs/dbraw/zinc/88/41/69/847884169.db2.gz KYHJRNGHOCFASP-UPVQGACJSA-N 2 1 379.548 3.872 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911549 847884175 /nfs/dbraw/zinc/88/41/75/847884175.db2.gz KYHJRNGHOCFASP-UPVQGACJSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000503734995 847927770 /nfs/dbraw/zinc/92/77/70/847927770.db2.gz KJQHIKNYJNFEKD-SIKLNZKXSA-N 2 1 394.563 3.814 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000503734995 847927779 /nfs/dbraw/zinc/92/77/79/847927779.db2.gz KJQHIKNYJNFEKD-SIKLNZKXSA-N 2 1 394.563 3.814 20 0 GHADMP C[N@@H+](CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)Cc1ccccc1 ZINC000604179816 861938912 /nfs/dbraw/zinc/93/89/12/861938912.db2.gz QIONWRLRFWFNEY-HSZRJFAPSA-N 2 1 394.563 3.645 20 0 GHADMP Brc1cccc(OCCSCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166575688 848797644 /nfs/dbraw/zinc/79/76/44/848797644.db2.gz XHXMBVKECTZCRK-IAGOWNOFSA-N 2 1 399.398 3.778 20 0 GHADMP COc1ccc([C@H](C)NCc2ccc(-n3ccnc3)c(F)c2)cc1NC(C)=O ZINC000153669847 848886972 /nfs/dbraw/zinc/88/69/72/848886972.db2.gz GUFLBLRUYISRFQ-AWEZNQCLSA-N 2 1 382.439 3.829 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000323229887 848998997 /nfs/dbraw/zinc/99/89/97/848998997.db2.gz SRLHGOJWXRJJAT-GFCCVEGCSA-N 2 1 393.247 3.922 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000583309924 849601142 /nfs/dbraw/zinc/60/11/42/849601142.db2.gz XBVKSQTXELMOLT-GOSISDBHSA-N 2 1 380.483 3.570 20 0 GHADMP Brc1sccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423114907 849745609 /nfs/dbraw/zinc/74/56/09/849745609.db2.gz MMOWFCPFDUKSAE-WMLDXEAASA-N 2 1 379.323 3.856 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000458510426 849815497 /nfs/dbraw/zinc/81/54/97/849815497.db2.gz INAZHEISQGDLMD-SFHVURJKSA-N 2 1 383.540 3.807 20 0 GHADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423333043 849869914 /nfs/dbraw/zinc/86/99/14/849869914.db2.gz NUMGQPVQJXDDOD-CEMLEFRQSA-N 2 1 398.547 3.769 20 0 GHADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414747371 849947506 /nfs/dbraw/zinc/94/75/06/849947506.db2.gz RTRAPOFBMQNHHS-RBUKOAKNSA-N 2 1 395.547 3.552 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)[nH+]ccc2N1CCC([N@H+]2CCCOCC2)CC1 ZINC000899878470 862074615 /nfs/dbraw/zinc/07/46/15/862074615.db2.gz SIPJFDZEACJFBU-UHFFFAOYSA-N 2 1 395.425 3.825 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2cc1Br ZINC000425270034 850036374 /nfs/dbraw/zinc/03/63/74/850036374.db2.gz SFFAVUFTEOPHAG-GOSISDBHSA-N 2 1 376.298 3.538 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000486912456 850228603 /nfs/dbraw/zinc/22/86/03/850228603.db2.gz UPJBIGJQIITCFL-CTNGQTDRSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964902 850256202 /nfs/dbraw/zinc/25/62/02/850256202.db2.gz ZVKJEZBJMQGJFK-RAFMOHDBSA-N 2 1 377.573 3.771 20 0 GHADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000486956661 850294446 /nfs/dbraw/zinc/29/44/46/850294446.db2.gz JVWMUUSJYIMOCK-UHFFFAOYSA-N 2 1 391.357 3.848 20 0 GHADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)cc1F ZINC000486975428 850308104 /nfs/dbraw/zinc/30/81/04/850308104.db2.gz YTUIGNWQXCYQTQ-UHFFFAOYSA-N 2 1 385.527 3.652 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000424301519 850342803 /nfs/dbraw/zinc/34/28/03/850342803.db2.gz XMWKLPNMJSUUOF-KGLIPLIRSA-N 2 1 384.351 3.635 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3cc(F)cc(F)c3)C2)CC1 ZINC000435335510 850385537 /nfs/dbraw/zinc/38/55/37/850385537.db2.gz IPKCNXKJPRMRCA-KRWDZBQOSA-N 2 1 379.495 3.737 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1Cl ZINC000505685820 850468404 /nfs/dbraw/zinc/46/84/04/850468404.db2.gz HEOPPWBAQOBXAR-HSALFYBXSA-N 2 1 392.975 3.649 20 0 GHADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCCOc1ccccc1Cl ZINC000414803174 850581832 /nfs/dbraw/zinc/58/18/32/850581832.db2.gz LUPQVCKEKPUNAL-UHFFFAOYSA-N 2 1 378.900 3.633 20 0 GHADMP COc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000414805384 850593104 /nfs/dbraw/zinc/59/31/04/850593104.db2.gz OUAYJOIRNTZXNM-UHFFFAOYSA-N 2 1 393.325 3.864 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000515162861 850728554 /nfs/dbraw/zinc/72/85/54/850728554.db2.gz SHUNHBKMMQSLIH-QFIPXVFZSA-N 2 1 397.538 3.749 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000487782206 850886466 /nfs/dbraw/zinc/88/64/66/850886466.db2.gz LIGRDNNNQIOEHI-AUSIDOKSSA-N 2 1 398.595 3.603 20 0 GHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000415009962 850946501 /nfs/dbraw/zinc/94/65/01/850946501.db2.gz UJCVLGBTWQGWRH-MNEFBYGVSA-N 2 1 375.513 3.617 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487872936 850960265 /nfs/dbraw/zinc/96/02/65/850960265.db2.gz KTKASJMLLMRAGG-DHIUTWEWSA-N 2 1 383.580 3.766 20 0 GHADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000515376087 850965162 /nfs/dbraw/zinc/96/51/62/850965162.db2.gz XVOORLSJLRNUFL-MIZPHKNDSA-N 2 1 397.588 3.950 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000515376087 850965173 /nfs/dbraw/zinc/96/51/73/850965173.db2.gz XVOORLSJLRNUFL-MIZPHKNDSA-N 2 1 397.588 3.950 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC000515460908 851049865 /nfs/dbraw/zinc/04/98/65/851049865.db2.gz UVTOCLPJQOWDNI-RBDMOPTHSA-N 2 1 395.551 3.805 20 0 GHADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000425076437 851054554 /nfs/dbraw/zinc/05/45/54/851054554.db2.gz FYDZCTCEKIWPKI-OAHLLOKOSA-N 2 1 390.597 3.893 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)sc2C1 ZINC000425076437 851054561 /nfs/dbraw/zinc/05/45/61/851054561.db2.gz FYDZCTCEKIWPKI-OAHLLOKOSA-N 2 1 390.597 3.893 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)sc2C1 ZINC000425076437 851054567 /nfs/dbraw/zinc/05/45/67/851054567.db2.gz FYDZCTCEKIWPKI-OAHLLOKOSA-N 2 1 390.597 3.893 20 0 GHADMP CCC1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000513993366 851094182 /nfs/dbraw/zinc/09/41/82/851094182.db2.gz AQESRQZACMYPPK-YADHBBJMSA-N 2 1 398.595 3.605 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(Cl)ccc(C)c1C ZINC000434474281 851163139 /nfs/dbraw/zinc/16/31/39/851163139.db2.gz MTSVISOBMSLWCK-QGZVFWFLSA-N 2 1 380.964 3.837 20 0 GHADMP FC(F)(F)c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1Cl ZINC000415044716 851164686 /nfs/dbraw/zinc/16/46/86/851164686.db2.gz AZZKMIDNOYPTNC-UHFFFAOYSA-N 2 1 375.866 3.665 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180547716 862217922 /nfs/dbraw/zinc/21/79/22/862217922.db2.gz ZHXZJPLJPWUWCS-UHFFFAOYSA-N 2 1 390.597 3.844 20 0 GHADMP COCCOc1ncccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000514096749 851259505 /nfs/dbraw/zinc/25/95/05/851259505.db2.gz XSTSWIXNISXIBT-UHFFFAOYSA-N 2 1 383.536 3.640 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000515627048 851265041 /nfs/dbraw/zinc/26/50/41/851265041.db2.gz HPPAOPAHUGWZQT-XMMPIXPASA-N 2 1 387.531 3.674 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000514126923 851266702 /nfs/dbraw/zinc/26/67/02/851266702.db2.gz NOOKZRZPXRPICG-SJBKTWHCSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514126923 851266708 /nfs/dbraw/zinc/26/67/08/851266708.db2.gz NOOKZRZPXRPICG-SJBKTWHCSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514126923 851266714 /nfs/dbraw/zinc/26/67/14/851266714.db2.gz NOOKZRZPXRPICG-SJBKTWHCSA-N 2 1 386.584 3.776 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1Cl ZINC000514173806 851349635 /nfs/dbraw/zinc/34/96/35/851349635.db2.gz YWBHZFWCSOCQPX-LJQANCHMSA-N 2 1 380.964 3.506 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1Cl ZINC000514173806 851349646 /nfs/dbraw/zinc/34/96/46/851349646.db2.gz YWBHZFWCSOCQPX-LJQANCHMSA-N 2 1 380.964 3.506 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cn1 ZINC001167969804 851416747 /nfs/dbraw/zinc/41/67/47/851416747.db2.gz DWIDWBXNMHZXDR-YQQQUEKLSA-N 2 1 386.540 3.924 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cn1 ZINC001167969804 851416756 /nfs/dbraw/zinc/41/67/56/851416756.db2.gz DWIDWBXNMHZXDR-YQQQUEKLSA-N 2 1 386.540 3.924 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000110977676 851505301 /nfs/dbraw/zinc/50/53/01/851505301.db2.gz ROXLCXGMQMRNHE-GLCCWIKHSA-N 2 1 377.532 3.601 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000110977676 851505308 /nfs/dbraw/zinc/50/53/08/851505308.db2.gz ROXLCXGMQMRNHE-GLCCWIKHSA-N 2 1 377.532 3.601 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000111240810 851578199 /nfs/dbraw/zinc/57/81/99/851578199.db2.gz MWWFFCVXSWBTTG-MRXNPFEDSA-N 2 1 375.340 3.539 20 0 GHADMP CCN(C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434736199 851621132 /nfs/dbraw/zinc/62/11/32/851621132.db2.gz KUMRKBVGPNXUJL-SFHVURJKSA-N 2 1 380.536 3.840 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303745190 851679366 /nfs/dbraw/zinc/67/93/66/851679366.db2.gz JSOQWIDLEWZLQW-YMPZKCBVSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303745190 851679370 /nfs/dbraw/zinc/67/93/70/851679370.db2.gz JSOQWIDLEWZLQW-YMPZKCBVSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303745190 851679377 /nfs/dbraw/zinc/67/93/77/851679377.db2.gz JSOQWIDLEWZLQW-YMPZKCBVSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303745190 851679384 /nfs/dbraw/zinc/67/93/84/851679384.db2.gz JSOQWIDLEWZLQW-YMPZKCBVSA-N 2 1 382.548 3.720 20 0 GHADMP COc1cc2c(cc1C[NH+]1CCC(c3[nH+]cc4n3CCCC4)CC1)O[C@H](C)C2 ZINC000570268615 851826843 /nfs/dbraw/zinc/82/68/43/851826843.db2.gz RKHXEHAVTVKABE-MRXNPFEDSA-N 2 1 381.520 3.931 20 0 GHADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000517419523 851924906 /nfs/dbraw/zinc/92/49/06/851924906.db2.gz ORCDBFOWNNUIJA-ROUUACIJSA-N 2 1 390.597 3.620 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000438114869 852043209 /nfs/dbraw/zinc/04/32/09/852043209.db2.gz PJKLJZSCOCTLJL-UHFFFAOYSA-N 2 1 396.531 3.826 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2OC(F)(F)F)c2cccs2)CC1 ZINC000517524744 852060180 /nfs/dbraw/zinc/06/01/80/852060180.db2.gz HWRJNLMYKOQGRZ-MRXNPFEDSA-N 2 1 399.482 3.725 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(Br)cc2)c2cccs2)CC1 ZINC000517525611 852060992 /nfs/dbraw/zinc/06/09/92/852060992.db2.gz NMXHJPQUFKUSSU-KRWDZBQOSA-N 2 1 394.382 3.589 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000517511487 852063546 /nfs/dbraw/zinc/06/35/46/852063546.db2.gz ZSGSQNKQAGYFLQ-UGKGYDQZSA-N 2 1 380.621 3.650 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000489233958 852152217 /nfs/dbraw/zinc/15/22/17/852152217.db2.gz RDHKAWKIEZOQPJ-GCJKJVERSA-N 2 1 382.552 3.629 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3F)C2=O)cc1 ZINC000180770568 862330732 /nfs/dbraw/zinc/33/07/32/862330732.db2.gz UQPRLCXBSXIEBE-YWZLYKJASA-N 2 1 378.451 3.776 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517640244 852197591 /nfs/dbraw/zinc/19/75/91/852197591.db2.gz XXKZPTAAFPRSTA-MDNUFGMLSA-N 2 1 382.548 3.686 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000517640244 852197598 /nfs/dbraw/zinc/19/75/98/852197598.db2.gz XXKZPTAAFPRSTA-MDNUFGMLSA-N 2 1 382.548 3.686 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261125 852257635 /nfs/dbraw/zinc/25/76/35/852257635.db2.gz ALSRTUUCDFCGEM-XZOQPEGZSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261125 852257645 /nfs/dbraw/zinc/25/76/45/852257645.db2.gz ALSRTUUCDFCGEM-XZOQPEGZSA-N 2 1 377.532 3.846 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000536261125 852257654 /nfs/dbraw/zinc/25/76/54/852257654.db2.gz ALSRTUUCDFCGEM-XZOQPEGZSA-N 2 1 377.532 3.846 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506927600 852346182 /nfs/dbraw/zinc/34/61/82/852346182.db2.gz AJOCPKSRSGARGN-VXKWHMMOSA-N 2 1 392.632 3.795 20 0 GHADMP Cc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000517783484 852386222 /nfs/dbraw/zinc/38/62/22/852386222.db2.gz RMJBAZWHGOGATR-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP Cc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000517783484 852386227 /nfs/dbraw/zinc/38/62/27/852386227.db2.gz RMJBAZWHGOGATR-HDICACEKSA-N 2 1 380.960 3.739 20 0 GHADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCCC1 ZINC000426797411 852407587 /nfs/dbraw/zinc/40/75/87/852407587.db2.gz FFWJXEDCIKCULY-MJGOQNOKSA-N 2 1 377.598 3.759 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000604637545 862363985 /nfs/dbraw/zinc/36/39/85/862363985.db2.gz FONGRYWCBHKAJD-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000604637545 862364006 /nfs/dbraw/zinc/36/40/06/862364006.db2.gz FONGRYWCBHKAJD-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000604637545 862364027 /nfs/dbraw/zinc/36/40/27/862364027.db2.gz FONGRYWCBHKAJD-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1)CC1CC1 ZINC000426949362 852569002 /nfs/dbraw/zinc/56/90/02/852569002.db2.gz UVHJHQLDQFIWAM-UHFFFAOYSA-N 2 1 377.617 3.859 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000489790117 852587586 /nfs/dbraw/zinc/58/75/86/852587586.db2.gz RQEUUZJZEKKGHY-COPCDDAFSA-N 2 1 386.584 3.733 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000489987096 852707860 /nfs/dbraw/zinc/70/78/60/852707860.db2.gz GLPCTQGNELHIKR-DEOSSOPVSA-N 2 1 387.531 3.569 20 0 GHADMP c1c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000489987096 852707866 /nfs/dbraw/zinc/70/78/66/852707866.db2.gz GLPCTQGNELHIKR-DEOSSOPVSA-N 2 1 387.531 3.569 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490278224 852913482 /nfs/dbraw/zinc/91/34/82/852913482.db2.gz WJILBGKXMABMKV-LPHOPBHVSA-N 2 1 391.357 3.536 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490278224 852913486 /nfs/dbraw/zinc/91/34/86/852913486.db2.gz WJILBGKXMABMKV-LPHOPBHVSA-N 2 1 391.357 3.536 20 0 GHADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000507513438 852991408 /nfs/dbraw/zinc/99/14/08/852991408.db2.gz RNDMHBDMQUQGNY-FNAHDJPLSA-N 2 1 392.591 3.996 20 0 GHADMP FC(F)Oc1ccc(Br)cc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262071259 853081458 /nfs/dbraw/zinc/08/14/58/853081458.db2.gz SDCDGVZOAICFTP-UHFFFAOYSA-N 2 1 375.257 3.626 20 0 GHADMP FC(F)Oc1ccc(Br)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262071259 853081467 /nfs/dbraw/zinc/08/14/67/853081467.db2.gz SDCDGVZOAICFTP-UHFFFAOYSA-N 2 1 375.257 3.626 20 0 GHADMP COc1ccc(Br)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167962055 853089689 /nfs/dbraw/zinc/08/96/89/853089689.db2.gz UAVUERUQPZJGBI-AYHJJNSGSA-N 2 1 393.369 3.995 20 0 GHADMP CC(C)(C)OC(=O)N1CCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167986471 853106476 /nfs/dbraw/zinc/10/64/76/853106476.db2.gz FOEGPKODYCGVIU-YOFSQIOKSA-N 2 1 389.584 3.867 20 0 GHADMP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000516914535 853152167 /nfs/dbraw/zinc/15/21/67/853152167.db2.gz HUVDPDMQFQGLNS-OAQYLSRUSA-N 2 1 396.922 3.661 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518374146 853270858 /nfs/dbraw/zinc/27/08/58/853270858.db2.gz WSFWYMFYAXOOEA-GIWBLDEGSA-N 2 1 394.563 3.654 20 0 GHADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518374146 853270866 /nfs/dbraw/zinc/27/08/66/853270866.db2.gz WSFWYMFYAXOOEA-GIWBLDEGSA-N 2 1 394.563 3.654 20 0 GHADMP CN(CCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cc[nH+]cc1 ZINC000518414478 853319229 /nfs/dbraw/zinc/31/92/29/853319229.db2.gz KLMQJSIGNYLLNQ-UHFFFAOYSA-N 2 1 387.487 3.504 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536262615 853324298 /nfs/dbraw/zinc/32/42/98/853324298.db2.gz GVRSTKAAMAJEMT-YTFSRNRJSA-N 2 1 377.532 3.603 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536262615 853324307 /nfs/dbraw/zinc/32/43/07/853324307.db2.gz GVRSTKAAMAJEMT-YTFSRNRJSA-N 2 1 377.532 3.603 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536262615 853324316 /nfs/dbraw/zinc/32/43/16/853324316.db2.gz GVRSTKAAMAJEMT-YTFSRNRJSA-N 2 1 377.532 3.603 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000536262615 853324324 /nfs/dbraw/zinc/32/43/24/853324324.db2.gz GVRSTKAAMAJEMT-YTFSRNRJSA-N 2 1 377.532 3.603 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000508453825 862457565 /nfs/dbraw/zinc/45/75/65/862457565.db2.gz WDPOHZTZGAWIQG-OALUTQOASA-N 2 1 389.584 3.536 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000508453825 862457570 /nfs/dbraw/zinc/45/75/70/862457570.db2.gz WDPOHZTZGAWIQG-OALUTQOASA-N 2 1 389.584 3.536 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ncc(C(F)(F)F)cc1Cl ZINC000925023105 853392068 /nfs/dbraw/zinc/39/20/68/853392068.db2.gz KWOQYSRQEOVNMU-GXTWGEPZSA-N 2 1 379.854 3.641 20 0 GHADMP C[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490993690 853393486 /nfs/dbraw/zinc/39/34/86/853393486.db2.gz IDUHCNNWFWEEBM-NFBKMPQASA-N 2 1 381.564 3.567 20 0 GHADMP C[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490993693 853393626 /nfs/dbraw/zinc/39/36/26/853393626.db2.gz IDUHCNNWFWEEBM-OFNKIYASSA-N 2 1 381.564 3.567 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000491030017 853408517 /nfs/dbraw/zinc/40/85/17/853408517.db2.gz UXLFCMXKTFZMBX-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000491030017 853408522 /nfs/dbraw/zinc/40/85/22/853408522.db2.gz UXLFCMXKTFZMBX-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000491030017 853408526 /nfs/dbraw/zinc/40/85/26/853408526.db2.gz UXLFCMXKTFZMBX-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000491030017 853408529 /nfs/dbraw/zinc/40/85/29/853408529.db2.gz UXLFCMXKTFZMBX-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000491030017 853408531 /nfs/dbraw/zinc/40/85/31/853408531.db2.gz UXLFCMXKTFZMBX-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1ccc(C)c([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000491051421 853426742 /nfs/dbraw/zinc/42/67/42/853426742.db2.gz JCSPJQYPVCBQCE-GMAHTHKFSA-N 2 1 379.548 3.570 20 0 GHADMP Cc1ccc(C)c([C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000491051421 853426744 /nfs/dbraw/zinc/42/67/44/853426744.db2.gz JCSPJQYPVCBQCE-GMAHTHKFSA-N 2 1 379.548 3.570 20 0 GHADMP C[N@@H+](CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CCCC1 ZINC000517142626 853432876 /nfs/dbraw/zinc/43/28/76/853432876.db2.gz OTWLKQRVDMQHJP-HXUWFJFHSA-N 2 1 392.975 3.651 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000518513096 853448900 /nfs/dbraw/zinc/44/89/00/853448900.db2.gz PYTJZESJPNLSIF-NRFANRHFSA-N 2 1 379.548 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000518513096 853448906 /nfs/dbraw/zinc/44/89/06/853448906.db2.gz PYTJZESJPNLSIF-NRFANRHFSA-N 2 1 379.548 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC000518513096 853448910 /nfs/dbraw/zinc/44/89/10/853448910.db2.gz PYTJZESJPNLSIF-NRFANRHFSA-N 2 1 379.548 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC000518513096 853448916 /nfs/dbraw/zinc/44/89/16/853448916.db2.gz PYTJZESJPNLSIF-NRFANRHFSA-N 2 1 379.548 3.722 20 0 GHADMP CSc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440647243 853494396 /nfs/dbraw/zinc/49/43/96/853494396.db2.gz NXTOXRSYDFLRGM-NSHGMRRFSA-N 2 1 397.588 3.838 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)CC(C)C ZINC000517228313 853538766 /nfs/dbraw/zinc/53/87/66/853538766.db2.gz MCLBYMBNZVSIEB-HXUWFJFHSA-N 2 1 389.588 3.546 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC1 ZINC001167988614 853627303 /nfs/dbraw/zinc/62/73/03/853627303.db2.gz RVMYXXFWPAKERV-YOFSQIOKSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167988614 853627309 /nfs/dbraw/zinc/62/73/09/853627309.db2.gz RVMYXXFWPAKERV-YOFSQIOKSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167988614 853627317 /nfs/dbraw/zinc/62/73/17/853627317.db2.gz RVMYXXFWPAKERV-YOFSQIOKSA-N 2 1 389.584 3.867 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000415939535 853650005 /nfs/dbraw/zinc/65/00/05/853650005.db2.gz YZRKLONBUNFTLY-VXKWHMMOSA-N 2 1 392.547 3.782 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000415988646 853666890 /nfs/dbraw/zinc/66/68/90/853666890.db2.gz JKYRZSBWSTZCGE-JOCHJYFZSA-N 2 1 380.536 3.610 20 0 GHADMP CSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000439484681 853710774 /nfs/dbraw/zinc/71/07/74/853710774.db2.gz FYVOLPIZAQLLTB-OPYAIIAOSA-N 2 1 397.588 3.838 20 0 GHADMP COc1ccc(Br)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145364 853720113 /nfs/dbraw/zinc/72/01/13/853720113.db2.gz QUGXYLKUDCZCQY-AWEZNQCLSA-N 2 1 397.317 3.676 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)CC1 ZINC000623888379 862502250 /nfs/dbraw/zinc/50/22/50/862502250.db2.gz DUTXNUXSSXVOHK-NHCUHLMSSA-N 2 1 379.589 3.846 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)C2)CC1 ZINC000520307006 854052343 /nfs/dbraw/zinc/05/23/43/854052343.db2.gz QAIADJPJIGPYIG-NQIIRXRSSA-N 2 1 391.987 3.913 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000441369609 854152153 /nfs/dbraw/zinc/15/21/53/854152153.db2.gz FCYWNGAYIWSVRA-GJZGRUSLSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000441369609 854152158 /nfs/dbraw/zinc/15/21/58/854152158.db2.gz FCYWNGAYIWSVRA-GJZGRUSLSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000441369609 854152161 /nfs/dbraw/zinc/15/21/61/854152161.db2.gz FCYWNGAYIWSVRA-GJZGRUSLSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000441369609 854152165 /nfs/dbraw/zinc/15/21/65/854152165.db2.gz FCYWNGAYIWSVRA-GJZGRUSLSA-N 2 1 375.340 3.539 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)cnc2n1 ZINC000571812936 854166066 /nfs/dbraw/zinc/16/60/66/854166066.db2.gz TZHIDCGRHPZOTQ-NRFANRHFSA-N 2 1 377.536 3.738 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cnc2n1 ZINC000571812936 854166070 /nfs/dbraw/zinc/16/60/70/854166070.db2.gz TZHIDCGRHPZOTQ-NRFANRHFSA-N 2 1 377.536 3.738 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000112631481 854279312 /nfs/dbraw/zinc/27/93/12/854279312.db2.gz JWPQYBSILCCZFP-UHFFFAOYSA-N 2 1 396.373 3.832 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000112631481 854279317 /nfs/dbraw/zinc/27/93/17/854279317.db2.gz JWPQYBSILCCZFP-UHFFFAOYSA-N 2 1 396.373 3.832 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112747282 854323560 /nfs/dbraw/zinc/32/35/60/854323560.db2.gz DKSGAJZMZWTCKX-LJQANCHMSA-N 2 1 397.567 3.703 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C[C@@H](C)O1 ZINC000588709713 854370094 /nfs/dbraw/zinc/37/00/94/854370094.db2.gz CSSZDORZMDDKAH-IAGOWNOFSA-N 2 1 387.499 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)C2)cc1 ZINC001167995037 854429741 /nfs/dbraw/zinc/42/97/41/854429741.db2.gz UXSOCTCMWDYDPD-NPZNXQLHSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)C2)cc1 ZINC001167995037 854429748 /nfs/dbraw/zinc/42/97/48/854429748.db2.gz UXSOCTCMWDYDPD-NPZNXQLHSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CCN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)C2)cc1 ZINC001167995037 854429757 /nfs/dbraw/zinc/42/97/57/854429757.db2.gz UXSOCTCMWDYDPD-NPZNXQLHSA-N 2 1 379.592 3.990 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@@H]2C1 ZINC001167995186 854430654 /nfs/dbraw/zinc/43/06/54/854430654.db2.gz YJHXKRGKMLWYSF-DQKSBWHRSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@@H]2C1 ZINC001167995186 854430659 /nfs/dbraw/zinc/43/06/59/854430659.db2.gz YJHXKRGKMLWYSF-DQKSBWHRSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@@H]2C1 ZINC001167995186 854430664 /nfs/dbraw/zinc/43/06/64/854430664.db2.gz YJHXKRGKMLWYSF-DQKSBWHRSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000113256730 854460743 /nfs/dbraw/zinc/46/07/43/854460743.db2.gz MURILASNEHIJPC-OAQYLSRUSA-N 2 1 377.960 3.712 20 0 GHADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000113256730 854460749 /nfs/dbraw/zinc/46/07/49/854460749.db2.gz MURILASNEHIJPC-OAQYLSRUSA-N 2 1 377.960 3.712 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995853 854560030 /nfs/dbraw/zinc/56/00/30/854560030.db2.gz SGONKCUYJIHJKI-WRURNZQNSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995853 854560031 /nfs/dbraw/zinc/56/00/31/854560031.db2.gz SGONKCUYJIHJKI-WRURNZQNSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995853 854560033 /nfs/dbraw/zinc/56/00/33/854560033.db2.gz SGONKCUYJIHJKI-WRURNZQNSA-N 2 1 377.573 3.629 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000073551008 854736322 /nfs/dbraw/zinc/73/63/22/854736322.db2.gz HXRBYXUBMUPPPK-JOCHJYFZSA-N 2 1 386.584 3.688 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000073551011 854736363 /nfs/dbraw/zinc/73/63/63/854736363.db2.gz HXRBYXUBMUPPPK-QFIPXVFZSA-N 2 1 386.584 3.688 20 0 GHADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c(OCCC)c1 ZINC000765793502 854826316 /nfs/dbraw/zinc/82/63/16/854826316.db2.gz ZAFHRDJTKBMQOC-CMKODMSKSA-N 2 1 376.541 3.778 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000624052755 862615367 /nfs/dbraw/zinc/61/53/67/862615367.db2.gz OTDZQKZDUXHQQM-JENIJYKNSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000624052755 862615370 /nfs/dbraw/zinc/61/53/70/862615370.db2.gz OTDZQKZDUXHQQM-JENIJYKNSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000624052756 862615486 /nfs/dbraw/zinc/61/54/86/862615486.db2.gz OTDZQKZDUXHQQM-YQVWRLOYSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000624052756 862615489 /nfs/dbraw/zinc/61/54/89/862615489.db2.gz OTDZQKZDUXHQQM-YQVWRLOYSA-N 2 1 392.469 3.829 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189030400 855011906 /nfs/dbraw/zinc/01/19/06/855011906.db2.gz OYDXIGLAZCETIF-LEWJYISDSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000189030400 855011908 /nfs/dbraw/zinc/01/19/08/855011908.db2.gz OYDXIGLAZCETIF-LEWJYISDSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCc1cccs1 ZINC000249746978 855073599 /nfs/dbraw/zinc/07/35/99/855073599.db2.gz CZSGKDVCMLCOCA-ZWKOTPCHSA-N 2 1 385.577 3.775 20 0 GHADMP C[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C[NH+]1CCCCC1 ZINC000324254398 862639007 /nfs/dbraw/zinc/63/90/07/862639007.db2.gz BWAWQIYQSMPOBI-OAHLLOKOSA-N 2 1 397.357 3.822 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000674012306 862650229 /nfs/dbraw/zinc/65/02/29/862650229.db2.gz OFTWNHKYBYXZFX-JOCHJYFZSA-N 2 1 383.580 3.684 20 0 GHADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000589950621 855203361 /nfs/dbraw/zinc/20/33/61/855203361.db2.gz FCACGNUWMLHQND-UNMCSNQZSA-N 2 1 387.543 3.515 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2oc3ccccc3c2OC)CC1 ZINC000473986522 855231850 /nfs/dbraw/zinc/23/18/50/855231850.db2.gz CNFDKWGHKADXIX-UHFFFAOYSA-N 2 1 379.504 3.873 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459060756 855378768 /nfs/dbraw/zinc/37/87/68/855378768.db2.gz OQKGNGNQNVFGLF-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459060756 855378778 /nfs/dbraw/zinc/37/87/78/855378778.db2.gz OQKGNGNQNVFGLF-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459060756 855378786 /nfs/dbraw/zinc/37/87/86/855378786.db2.gz OQKGNGNQNVFGLF-GLCCWIKHSA-N 2 1 398.595 3.698 20 0 GHADMP [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c2ccccc21 ZINC000639066067 855383025 /nfs/dbraw/zinc/38/30/25/855383025.db2.gz TWHGPYLDQWAJJN-RBUKOAKNSA-N 2 1 392.547 3.972 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000572958175 855465975 /nfs/dbraw/zinc/46/59/75/855465975.db2.gz MNXMITQSWXDGCP-ZHRRBRCNSA-N 2 1 389.503 3.509 20 0 GHADMP C[N@H+](CCCO)C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000604998669 862684398 /nfs/dbraw/zinc/68/43/98/862684398.db2.gz QBMPXBWDLRFLTO-DJWKRKHSSA-N 2 1 381.358 3.631 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000604998669 862684405 /nfs/dbraw/zinc/68/44/05/862684405.db2.gz QBMPXBWDLRFLTO-DJWKRKHSSA-N 2 1 381.358 3.631 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000520498130 855509743 /nfs/dbraw/zinc/50/97/43/855509743.db2.gz USUZCBUEEGIYQH-SIKLNZKXSA-N 2 1 379.548 3.897 20 0 GHADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000441530892 855584247 /nfs/dbraw/zinc/58/42/47/855584247.db2.gz GZFLLGGWNIWGFS-FGZHOGPDSA-N 2 1 378.564 3.985 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000590786612 855585706 /nfs/dbraw/zinc/58/57/06/855585706.db2.gz IBFFUVZRFCFJLP-OAHLLOKOSA-N 2 1 396.373 3.828 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000590786895 855585799 /nfs/dbraw/zinc/58/57/99/855585799.db2.gz KIANCMWPQOLZCF-QGZVFWFLSA-N 2 1 389.367 3.785 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C2CC2)C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002870 855651174 /nfs/dbraw/zinc/65/11/74/855651174.db2.gz ZWWOTHMXYUOMKO-JQKXYWIWSA-N 2 1 389.584 3.866 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+](C2CC2)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002870 855651179 /nfs/dbraw/zinc/65/11/79/855651179.db2.gz ZWWOTHMXYUOMKO-JQKXYWIWSA-N 2 1 389.584 3.866 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+](C2CC2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002870 855651187 /nfs/dbraw/zinc/65/11/87/855651187.db2.gz ZWWOTHMXYUOMKO-JQKXYWIWSA-N 2 1 389.584 3.866 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000520578513 855696235 /nfs/dbraw/zinc/69/62/35/855696235.db2.gz QFBNABAJONXOSG-UHFFFAOYSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000459116232 855753413 /nfs/dbraw/zinc/75/34/13/855753413.db2.gz UDQNSUPFQXNWSD-LJQANCHMSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000482132350 862718908 /nfs/dbraw/zinc/71/89/08/862718908.db2.gz BAKPACFRRKIMLO-CBQOVEMMSA-N 2 1 398.595 3.705 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)c2)C1 ZINC000765868950 855839706 /nfs/dbraw/zinc/83/97/06/855839706.db2.gz VHBZTFZLWXAZDF-MYDTUXCISA-N 2 1 383.580 3.832 20 0 GHADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000152375092 855842935 /nfs/dbraw/zinc/84/29/35/855842935.db2.gz NTUALBURGSOZSQ-AVRDEDQJSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152375092 855842937 /nfs/dbraw/zinc/84/29/37/855842937.db2.gz NTUALBURGSOZSQ-AVRDEDQJSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152375092 855842939 /nfs/dbraw/zinc/84/29/39/855842939.db2.gz NTUALBURGSOZSQ-AVRDEDQJSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000108412459 855868685 /nfs/dbraw/zinc/86/86/85/855868685.db2.gz IRBQUOBXRYFPOT-JOCHJYFZSA-N 2 1 386.584 3.587 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000760827465 856005981 /nfs/dbraw/zinc/00/59/81/856005981.db2.gz BCQXCUWZQWRDRN-WOJBJXKFSA-N 2 1 379.589 3.972 20 0 GHADMP CC[N@@H+](Cc1ccccc1C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000485040293 856033936 /nfs/dbraw/zinc/03/39/36/856033936.db2.gz BOPDNFAUXIMSPR-OAQYLSRUSA-N 2 1 393.575 3.986 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000591539849 856096507 /nfs/dbraw/zinc/09/65/07/856096507.db2.gz BFZNFGVDBURAHY-FQEVSTJZSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000674310624 856159858 /nfs/dbraw/zinc/15/98/58/856159858.db2.gz RRORZYAAUZLIHG-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000669417174 856219775 /nfs/dbraw/zinc/21/97/75/856219775.db2.gz DQSLNSASYRFCHS-XMTFNYHQSA-N 2 1 375.607 3.880 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000182520076 856419231 /nfs/dbraw/zinc/41/92/31/856419231.db2.gz HFIZWDIUHFDNRB-DHIUTWEWSA-N 2 1 398.595 3.688 20 0 GHADMP O=C(C[N@@H+](C1CC1)C1CCCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000110180839 856465993 /nfs/dbraw/zinc/46/59/93/856465993.db2.gz NLLHBOZUUUFFJI-UHFFFAOYSA-N 2 1 387.593 3.971 20 0 GHADMP CC(C)([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1F ZINC000429234240 856469796 /nfs/dbraw/zinc/46/97/96/856469796.db2.gz GIXXAMIXSPVBPC-UHFFFAOYSA-N 2 1 383.511 3.563 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cccc(F)c1 ZINC000485480448 856628097 /nfs/dbraw/zinc/62/80/97/856628097.db2.gz MZSQPKMVDFGWSZ-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cccc(F)c1 ZINC000485480448 856628103 /nfs/dbraw/zinc/62/81/03/856628103.db2.gz MZSQPKMVDFGWSZ-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP O[C@@H](COc1ccccc1F)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485474052 856639565 /nfs/dbraw/zinc/63/95/65/856639565.db2.gz JDHWATFBVZACQA-OAQYLSRUSA-N 2 1 398.522 3.554 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)c1 ZINC000110871864 856692727 /nfs/dbraw/zinc/69/27/27/856692727.db2.gz UHOJEWXAONOEMM-UHFFFAOYSA-N 2 1 376.504 3.702 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000658136515 856774081 /nfs/dbraw/zinc/77/40/81/856774081.db2.gz HIONKUZBVIPDCE-KXBFYZLASA-N 2 1 398.938 3.644 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000482258203 862848336 /nfs/dbraw/zinc/84/83/36/862848336.db2.gz PYTNENRMQVCDOR-IZIIKQMZSA-N 2 1 379.548 3.774 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)c1 ZINC000482258203 862848351 /nfs/dbraw/zinc/84/83/51/862848351.db2.gz PYTNENRMQVCDOR-IZIIKQMZSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665252922 857001369 /nfs/dbraw/zinc/00/13/69/857001369.db2.gz AIHJKLBVBDUECC-FGSUIDRYSA-N 2 1 399.529 3.911 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465927243 857027390 /nfs/dbraw/zinc/02/73/90/857027390.db2.gz QNVOFIVRICNNGY-RXVVDRJESA-N 2 1 386.584 3.680 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000520814336 857229302 /nfs/dbraw/zinc/22/93/02/857229302.db2.gz XQMYXAPQNBTLKY-RGCFKVTRSA-N 2 1 396.362 3.716 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000520814337 857229521 /nfs/dbraw/zinc/22/95/21/857229521.db2.gz XQMYXAPQNBTLKY-WTLGNFPFSA-N 2 1 396.362 3.716 20 0 GHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000060580351 857461782 /nfs/dbraw/zinc/46/17/82/857461782.db2.gz XEKYNHHUOFUNEA-DHIUTWEWSA-N 2 1 377.532 3.604 20 0 GHADMP C[C@H](CO)[NH+](Cc1cccc(C[N@H+]([C@H](C)CO)C2CCCC2)c1)C1CCCC1 ZINC000672554571 857462728 /nfs/dbraw/zinc/46/27/28/857462728.db2.gz ZAJBVZBPBCIGKD-WOJBJXKFSA-N 2 1 388.596 3.937 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000675536362 857489632 /nfs/dbraw/zinc/48/96/32/857489632.db2.gz GLPCYJIDGRUBDI-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000675713534 857575115 /nfs/dbraw/zinc/57/51/15/857575115.db2.gz CAZWRYKAFCWDGM-CTNGQTDRSA-N 2 1 378.605 3.547 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)c1ccco1 ZINC000064237981 857688438 /nfs/dbraw/zinc/68/84/38/857688438.db2.gz HQTSSXKPPJZTLC-OAQYLSRUSA-N 2 1 398.551 3.758 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccccc3C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000486376094 857689265 /nfs/dbraw/zinc/68/92/65/857689265.db2.gz FDEHEGNDBSXGSL-QZTJIDSGSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000521196657 857740350 /nfs/dbraw/zinc/74/03/50/857740350.db2.gz RWIDMYYGTPHFPM-ZDUSSCGKSA-N 2 1 384.351 3.729 20 0 GHADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000521196657 857740358 /nfs/dbraw/zinc/74/03/58/857740358.db2.gz RWIDMYYGTPHFPM-ZDUSSCGKSA-N 2 1 384.351 3.729 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740725 857744871 /nfs/dbraw/zinc/74/48/71/857744871.db2.gz QEQZEBKRSSCLFB-IXDOHACOSA-N 2 1 395.503 3.993 20 0 GHADMP C[C@](CO)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000478177328 857773696 /nfs/dbraw/zinc/77/36/96/857773696.db2.gz OHFFMUTVRXPXHW-CXSMSNRLSA-N 2 1 378.560 3.728 20 0 GHADMP Cc1ccc([C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000665282163 857781108 /nfs/dbraw/zinc/78/11/08/857781108.db2.gz SBYWOBGXJLGEKQ-YADHBBJMSA-N 2 1 388.577 3.759 20 0 GHADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665282879 857815982 /nfs/dbraw/zinc/81/59/82/857815982.db2.gz DHDGRNWDRGACPY-UZLBHIALSA-N 2 1 378.394 3.773 20 0 GHADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000486568529 857871335 /nfs/dbraw/zinc/87/13/35/857871335.db2.gz SLFJGAXURMTENX-KNQAVFIVSA-N 2 1 375.520 3.576 20 0 GHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000765972644 857959952 /nfs/dbraw/zinc/95/99/52/857959952.db2.gz BOINLWLPNDQLDV-DYESRHJHSA-N 2 1 388.556 3.511 20 0 GHADMP Cn1c2cc(C[NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)ccc2oc1=O ZINC000624205149 862980267 /nfs/dbraw/zinc/98/02/67/862980267.db2.gz SXSDVHDEDCQJQL-UHFFFAOYSA-N 2 1 379.504 3.664 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000544349121 858065488 /nfs/dbraw/zinc/06/54/88/858065488.db2.gz YUSNRNUSOGIVJT-HXUWFJFHSA-N 2 1 376.460 3.684 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442797933 858139852 /nfs/dbraw/zinc/13/98/52/858139852.db2.gz XKICGECBAIBPDP-YQVWRLOYSA-N 2 1 397.485 3.519 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(OCc2ccccc2)c1 ZINC000442871332 858188565 /nfs/dbraw/zinc/18/85/65/858188565.db2.gz FQAPVWBAAARQQQ-HXUWFJFHSA-N 2 1 381.564 3.942 20 0 GHADMP COc1cccc(C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)c1 ZINC000442889734 858210573 /nfs/dbraw/zinc/21/05/73/858210573.db2.gz LEOUQIHCFKAEDL-QHCPKHFHSA-N 2 1 381.564 3.595 20 0 GHADMP c1cn2c(n1)[C@@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCc1ccccc1-2 ZINC000665300035 858230172 /nfs/dbraw/zinc/23/01/72/858230172.db2.gz XFHCPJFGNLKOSN-ROKPMTFOSA-N 2 1 386.499 3.705 20 0 GHADMP CC(C)[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+]1CCCCC1 ZINC000521720300 858271175 /nfs/dbraw/zinc/27/11/75/858271175.db2.gz RUAZKGMVEJWODF-QHCPKHFHSA-N 2 1 383.580 3.546 20 0 GHADMP CCCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000594785852 858280301 /nfs/dbraw/zinc/28/03/01/858280301.db2.gz XXUWYGCLDANBMH-HSZRJFAPSA-N 2 1 379.548 3.626 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000181769261 863008194 /nfs/dbraw/zinc/00/81/94/863008194.db2.gz ARXZVRBPUUJTFM-JMSVASOKSA-N 2 1 379.854 3.841 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000067062975 858416165 /nfs/dbraw/zinc/41/61/65/858416165.db2.gz PFUVPHGPIRGINU-FQEVSTJZSA-N 2 1 388.600 3.792 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000605399094 863032703 /nfs/dbraw/zinc/03/27/03/863032703.db2.gz VLOMYTBCUDUAGO-UHFFFAOYSA-N 2 1 386.499 3.514 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)c1 ZINC000522044004 858565829 /nfs/dbraw/zinc/56/58/29/858565829.db2.gz GKBRUMWULCAFMS-AUSIDOKSSA-N 2 1 394.563 3.773 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000522044004 858565836 /nfs/dbraw/zinc/56/58/36/858565836.db2.gz GKBRUMWULCAFMS-AUSIDOKSSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000522078151 858588727 /nfs/dbraw/zinc/58/87/27/858588727.db2.gz NNHNAFOWBBCCHD-YYDVJCTNSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000522078151 858588738 /nfs/dbraw/zinc/58/87/38/858588738.db2.gz NNHNAFOWBBCCHD-YYDVJCTNSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000522078151 858588740 /nfs/dbraw/zinc/58/87/40/858588740.db2.gz NNHNAFOWBBCCHD-YYDVJCTNSA-N 2 1 398.595 3.543 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000605410849 863042910 /nfs/dbraw/zinc/04/29/10/863042910.db2.gz YFSMMPGJLJFNNF-KRWDZBQOSA-N 2 1 383.540 3.907 20 0 GHADMP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000522097911 858617750 /nfs/dbraw/zinc/61/77/50/858617750.db2.gz FBBOCUXURNUJKT-UHFFFAOYSA-N 2 1 379.548 3.809 20 0 GHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000115828364 858680648 /nfs/dbraw/zinc/68/06/48/858680648.db2.gz YVUVKZONAZFHSX-FQEVSTJZSA-N 2 1 386.584 3.546 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000595900181 858711392 /nfs/dbraw/zinc/71/13/92/858711392.db2.gz AGOMEKMPCFDQFW-IBGZPJMESA-N 2 1 399.560 3.808 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C(C)(C)c1ccccc1 ZINC000482645985 858719338 /nfs/dbraw/zinc/71/93/38/858719338.db2.gz YDRUIBUXGZEHDK-DENIHFKCSA-N 2 1 393.575 3.840 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000474060920 858740219 /nfs/dbraw/zinc/74/02/19/858740219.db2.gz SHFJCLFYKRIGSU-TZRRMPRUSA-N 2 1 385.596 3.509 20 0 GHADMP CCC[N@H+](C[C@@H]1COc2ccccc2O1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000676701172 858760128 /nfs/dbraw/zinc/76/01/28/858760128.db2.gz AMVDILVJEATIEI-HXUWFJFHSA-N 2 1 396.535 3.614 20 0 GHADMP CCC[N@@H+](C[C@@H]1COc2ccccc2O1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000676701172 858760135 /nfs/dbraw/zinc/76/01/35/858760135.db2.gz AMVDILVJEATIEI-HXUWFJFHSA-N 2 1 396.535 3.614 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC(F)(F)CC1 ZINC000474074558 858781192 /nfs/dbraw/zinc/78/11/92/858781192.db2.gz RGAQUGDYGQWEQN-OXQOHEQNSA-N 2 1 393.522 3.688 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000474078050 858784315 /nfs/dbraw/zinc/78/43/15/858784315.db2.gz FFQPNUONNZQFMH-CVDCTZTESA-N 2 1 380.532 3.774 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2C)cc1 ZINC000183676893 858793782 /nfs/dbraw/zinc/79/37/82/858793782.db2.gz ULCKJHHHCMIGRQ-ROUUACIJSA-N 2 1 376.504 3.845 20 0 GHADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000482861597 858926544 /nfs/dbraw/zinc/92/65/44/858926544.db2.gz CIPFPJOTDJVQIG-ZMSDIMECSA-N 2 1 389.367 3.976 20 0 GHADMP OC[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000923005996 858934222 /nfs/dbraw/zinc/93/42/22/858934222.db2.gz ABSPMGIPSWFXKZ-PSWAGMNNSA-N 2 1 382.523 3.515 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000522338334 859078584 /nfs/dbraw/zinc/07/85/84/859078584.db2.gz LUEBZEGGZBUUJQ-RTBURBONSA-N 2 1 392.613 3.551 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185719839 859121765 /nfs/dbraw/zinc/12/17/65/859121765.db2.gz XGUBGMJSQQMVLD-ULQDDVLXSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185719839 859121768 /nfs/dbraw/zinc/12/17/68/859121768.db2.gz XGUBGMJSQQMVLD-ULQDDVLXSA-N 2 1 375.582 3.978 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733933 859122713 /nfs/dbraw/zinc/12/27/13/859122713.db2.gz SHLRWVJAVRUWAQ-JXHRLWIKSA-N 2 1 383.580 3.765 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733933 859122719 /nfs/dbraw/zinc/12/27/19/859122719.db2.gz SHLRWVJAVRUWAQ-JXHRLWIKSA-N 2 1 383.580 3.765 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000711504837 859160959 /nfs/dbraw/zinc/16/09/59/859160959.db2.gz KNPFSHSTEPNQIX-WLRLJWMZSA-N 2 1 387.568 3.790 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000483131006 859168724 /nfs/dbraw/zinc/16/87/24/859168724.db2.gz AOVQIWWXEIUKGU-FQEVSTJZSA-N 2 1 378.564 3.861 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3coc(-c4ccccc4)n3)C2)ccn1 ZINC000856554008 881391845 /nfs/dbraw/zinc/39/18/45/881391845.db2.gz OLILGISSMSTWKS-JOCHJYFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000443653132 859188687 /nfs/dbraw/zinc/18/86/87/859188687.db2.gz LWAVHJJKNZBRNX-GUDVDZBRSA-N 2 1 392.613 3.503 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3coc(-c4ccccc4)n3)C2)ccn1 ZINC000856554008 881391917 /nfs/dbraw/zinc/39/19/17/881391917.db2.gz OLILGISSMSTWKS-JOCHJYFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3coc(-c4ccccc4)n3)C2)ccn1 ZINC000856554008 881391950 /nfs/dbraw/zinc/39/19/50/881391950.db2.gz OLILGISSMSTWKS-JOCHJYFZSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)ccn1 ZINC000856554008 881391997 /nfs/dbraw/zinc/39/19/97/881391997.db2.gz OLILGISSMSTWKS-JOCHJYFZSA-N 2 1 392.503 3.842 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC000483170956 859203074 /nfs/dbraw/zinc/20/30/74/859203074.db2.gz UGRHIFPDDSCWKK-MRXNPFEDSA-N 2 1 393.959 3.874 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@H](C)C1 ZINC000157955856 859278064 /nfs/dbraw/zinc/27/80/64/859278064.db2.gz GBKGKNZGBYYGRI-FGSXEWAUSA-N 2 1 395.538 3.518 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923393488 859279187 /nfs/dbraw/zinc/27/91/87/859279187.db2.gz RDASOGPFNLQZBC-SQIBXOBRSA-N 2 1 398.469 3.529 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000483298778 859279853 /nfs/dbraw/zinc/27/98/53/859279853.db2.gz WDHXEIMZVMLSTK-OXQOHEQNSA-N 2 1 389.490 3.683 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000483298778 859279862 /nfs/dbraw/zinc/27/98/62/859279862.db2.gz WDHXEIMZVMLSTK-OXQOHEQNSA-N 2 1 389.490 3.683 20 0 GHADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)C1 ZINC000923487433 859359757 /nfs/dbraw/zinc/35/97/57/859359757.db2.gz DAGJIGFAJRNBPB-GFCCVEGCSA-N 2 1 388.924 3.888 20 0 GHADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)C1 ZINC000923487433 859359765 /nfs/dbraw/zinc/35/97/65/859359765.db2.gz DAGJIGFAJRNBPB-GFCCVEGCSA-N 2 1 388.924 3.888 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc(Cl)n1 ZINC000856558267 881424857 /nfs/dbraw/zinc/42/48/57/881424857.db2.gz DXDIUBJWQPCODO-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc(Cl)n1 ZINC000856558267 881424859 /nfs/dbraw/zinc/42/48/59/881424859.db2.gz DXDIUBJWQPCODO-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(Cl)n1 ZINC000856558267 881424862 /nfs/dbraw/zinc/42/48/62/881424862.db2.gz DXDIUBJWQPCODO-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(Cl)n1 ZINC000856558267 881424865 /nfs/dbraw/zinc/42/48/65/881424865.db2.gz DXDIUBJWQPCODO-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP COc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856558804 881425528 /nfs/dbraw/zinc/42/55/28/881425528.db2.gz LREQWAFXVRKZNN-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856558804 881425542 /nfs/dbraw/zinc/42/55/42/881425542.db2.gz LREQWAFXVRKZNN-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856558804 881425557 /nfs/dbraw/zinc/42/55/57/881425557.db2.gz LREQWAFXVRKZNN-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(F)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856558804 881425565 /nfs/dbraw/zinc/42/55/65/881425565.db2.gz LREQWAFXVRKZNN-NRFANRHFSA-N 2 1 387.499 3.723 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000483720681 859558888 /nfs/dbraw/zinc/55/88/88/859558888.db2.gz GLVWEFSYGKFXHH-FCIYXJNOSA-N 2 1 393.641 3.858 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000483720681 859558898 /nfs/dbraw/zinc/55/88/98/859558898.db2.gz GLVWEFSYGKFXHH-FCIYXJNOSA-N 2 1 393.641 3.858 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000483720681 859558906 /nfs/dbraw/zinc/55/89/06/859558906.db2.gz GLVWEFSYGKFXHH-FCIYXJNOSA-N 2 1 393.641 3.858 20 0 GHADMP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cccc(C[N@H+](C)CC)c2)cc1 ZINC000543402523 859585044 /nfs/dbraw/zinc/58/50/44/859585044.db2.gz JMQGQXVKWNHJBC-RUZDIDTESA-N 2 1 395.591 3.864 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)ccc3F)C2)ccn1 ZINC000856559970 881441094 /nfs/dbraw/zinc/44/10/94/881441094.db2.gz DQYNYYZSXVPQSW-FQEVSTJZSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(F)ccc3F)C2)ccn1 ZINC000856559970 881441105 /nfs/dbraw/zinc/44/11/05/881441105.db2.gz DQYNYYZSXVPQSW-FQEVSTJZSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)ccn1 ZINC000856559970 881441112 /nfs/dbraw/zinc/44/11/12/881441112.db2.gz DQYNYYZSXVPQSW-FQEVSTJZSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)ccn1 ZINC000856559970 881441124 /nfs/dbraw/zinc/44/11/24/881441124.db2.gz DQYNYYZSXVPQSW-FQEVSTJZSA-N 2 1 375.463 3.853 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1C ZINC000483807429 859624269 /nfs/dbraw/zinc/62/42/69/859624269.db2.gz MHPZZSZCWGERPJ-IEXKNLJHSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1C ZINC000483807429 859624276 /nfs/dbraw/zinc/62/42/76/859624276.db2.gz MHPZZSZCWGERPJ-IEXKNLJHSA-N 2 1 398.595 3.696 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1C ZINC000483807429 859624279 /nfs/dbraw/zinc/62/42/79/859624279.db2.gz MHPZZSZCWGERPJ-IEXKNLJHSA-N 2 1 398.595 3.696 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC[N@@H+]2C2CC2)cc1 ZINC000895537497 859633625 /nfs/dbraw/zinc/63/36/25/859633625.db2.gz SHKXXCXQFUITRZ-WWNPGLIZSA-N 2 1 384.564 3.920 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC[N@H+]2C2CC2)cc1 ZINC000895537497 859633633 /nfs/dbraw/zinc/63/36/33/859633633.db2.gz SHKXXCXQFUITRZ-WWNPGLIZSA-N 2 1 384.564 3.920 20 0 GHADMP O=[S@@](CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cc(Cl)ccc1Cl ZINC000117878796 859648365 /nfs/dbraw/zinc/64/83/65/859648365.db2.gz BMAFRHNJNUPJJA-XMMPIXPASA-N 2 1 389.392 3.909 20 0 GHADMP CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC000729545071 859732120 /nfs/dbraw/zinc/73/21/20/859732120.db2.gz RMUUQVULRHULFQ-RBUKOAKNSA-N 2 1 386.584 3.666 20 0 GHADMP COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000543446932 859734438 /nfs/dbraw/zinc/73/44/38/859734438.db2.gz OWSZKQUPNQKAKD-ROKPMTFOSA-N 2 1 382.548 3.643 20 0 GHADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611532226 859797693 /nfs/dbraw/zinc/79/76/93/859797693.db2.gz RMSUYWREQGUNIU-FQEVSTJZSA-N 2 1 388.552 3.572 20 0 GHADMP Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)c(F)c2)cc1 ZINC000602194461 859832814 /nfs/dbraw/zinc/83/28/14/859832814.db2.gz LBCBSXINNCEGBT-HXUWFJFHSA-N 2 1 395.522 3.699 20 0 GHADMP Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)c(F)c2)cc1 ZINC000602194461 859832825 /nfs/dbraw/zinc/83/28/25/859832825.db2.gz LBCBSXINNCEGBT-HXUWFJFHSA-N 2 1 395.522 3.699 20 0 GHADMP Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)c(F)c2)cc1 ZINC000602194439 859832954 /nfs/dbraw/zinc/83/29/54/859832954.db2.gz LBCBSXINNCEGBT-FQEVSTJZSA-N 2 1 395.522 3.699 20 0 GHADMP Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)c(F)c2)cc1 ZINC000602194439 859832964 /nfs/dbraw/zinc/83/29/64/859832964.db2.gz LBCBSXINNCEGBT-FQEVSTJZSA-N 2 1 395.522 3.699 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000484287664 859924381 /nfs/dbraw/zinc/92/43/81/859924381.db2.gz CEAIRDSQPHEXBL-AYBZRNKSSA-N 2 1 384.561 3.780 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000765359315 859927853 /nfs/dbraw/zinc/92/78/53/859927853.db2.gz VEVAOHXMMRDWNH-UFYCRDLUSA-N 2 1 397.604 3.503 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000765377421 859943597 /nfs/dbraw/zinc/94/35/97/859943597.db2.gz GJGOIFQSBGIMFP-OTWHNJEPSA-N 2 1 376.545 3.739 20 0 GHADMP COc1ccc2nc(C[NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)sc2c1 ZINC000474373502 859943908 /nfs/dbraw/zinc/94/39/08/859943908.db2.gz QSDJXQUXAUVMRI-UHFFFAOYSA-N 2 1 397.544 3.551 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000533818688 860238273 /nfs/dbraw/zinc/23/82/73/860238273.db2.gz GSXUBLILXBKLLU-JMUQELJHSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000533818688 860238279 /nfs/dbraw/zinc/23/82/79/860238279.db2.gz GSXUBLILXBKLLU-JMUQELJHSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000533818688 860238289 /nfs/dbraw/zinc/23/82/89/860238289.db2.gz GSXUBLILXBKLLU-JMUQELJHSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000533818688 860238296 /nfs/dbraw/zinc/23/82/96/860238296.db2.gz GSXUBLILXBKLLU-JMUQELJHSA-N 2 1 392.547 3.525 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC3CC[NH+](C4CC4)CC3)c2c1C ZINC000022137973 860252130 /nfs/dbraw/zinc/25/21/30/860252130.db2.gz MDFCLENPGBYYFL-UHFFFAOYSA-N 2 1 385.581 3.943 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC[C@@H]21 ZINC001168729442 860280696 /nfs/dbraw/zinc/28/06/96/860280696.db2.gz YOMDYNKHJYJLBJ-NVJIOZQYSA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC[C@@H]21 ZINC001168729442 860280709 /nfs/dbraw/zinc/28/07/09/860280709.db2.gz YOMDYNKHJYJLBJ-NVJIOZQYSA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3Cc4cccc(Cl)c4C3)CC[C@@H]21 ZINC001168729442 860280723 /nfs/dbraw/zinc/28/07/23/860280723.db2.gz YOMDYNKHJYJLBJ-NVJIOZQYSA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3Cc4cccc(Cl)c4C3)CC[C@@H]21 ZINC001168729442 860280735 /nfs/dbraw/zinc/28/07/35/860280735.db2.gz YOMDYNKHJYJLBJ-NVJIOZQYSA-N 2 1 398.982 3.877 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000765646155 860377106 /nfs/dbraw/zinc/37/71/06/860377106.db2.gz UAUDLEICMQSFQH-AZUAARDMSA-N 2 1 375.557 3.744 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000765646155 860377118 /nfs/dbraw/zinc/37/71/18/860377118.db2.gz UAUDLEICMQSFQH-AZUAARDMSA-N 2 1 375.557 3.744 20 0 GHADMP CCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000765646156 860377229 /nfs/dbraw/zinc/37/72/29/860377229.db2.gz UAUDLEICMQSFQH-ICSRJNTNSA-N 2 1 375.557 3.744 20 0 GHADMP CCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000765646156 860377236 /nfs/dbraw/zinc/37/72/36/860377236.db2.gz UAUDLEICMQSFQH-ICSRJNTNSA-N 2 1 375.557 3.744 20 0 GHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1C(F)(F)F ZINC000484903710 860475902 /nfs/dbraw/zinc/47/59/02/860475902.db2.gz KIMQVECFDVDKGA-AHCXZYCDSA-N 2 1 386.458 3.610 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116157752 860478059 /nfs/dbraw/zinc/47/80/59/860478059.db2.gz ICWPMKPAOLRKOG-JOCHJYFZSA-N 2 1 397.538 3.628 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000904653343 860546218 /nfs/dbraw/zinc/54/62/18/860546218.db2.gz YZCGZJRGSMCOHM-HSZRJFAPSA-N 2 1 378.520 3.665 20 0 GHADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](CC)c1ccccc1 ZINC000537629158 881564026 /nfs/dbraw/zinc/56/40/26/881564026.db2.gz WYFBTXHVRAAIRY-QFIPXVFZSA-N 2 1 381.568 3.982 20 0 GHADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](CC)c1ccccc1 ZINC000537629158 881564043 /nfs/dbraw/zinc/56/40/43/881564043.db2.gz WYFBTXHVRAAIRY-QFIPXVFZSA-N 2 1 381.568 3.982 20 0 GHADMP CCc1noc([C@H]2CC[C@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)n1 ZINC000922865320 860677910 /nfs/dbraw/zinc/67/79/10/860677910.db2.gz HSRJYEDVWFJCGH-PXNSSMCTSA-N 2 1 386.515 3.704 20 0 GHADMP CC(C)[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000474721716 860677970 /nfs/dbraw/zinc/67/79/70/860677970.db2.gz VBIMFSJBKRRCEV-DNQXCXABSA-N 2 1 393.575 3.913 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026879 860744459 /nfs/dbraw/zinc/74/44/59/860744459.db2.gz AINANYIREGOGCJ-DYESRHJHSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026879 860744467 /nfs/dbraw/zinc/74/44/67/860744467.db2.gz AINANYIREGOGCJ-DYESRHJHSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026879 860744470 /nfs/dbraw/zinc/74/44/70/860744470.db2.gz AINANYIREGOGCJ-DYESRHJHSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C(C)C)cc1Cl ZINC000429026879 860744477 /nfs/dbraw/zinc/74/44/77/860744477.db2.gz AINANYIREGOGCJ-DYESRHJHSA-N 2 1 380.960 3.539 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1F ZINC000192504149 860860334 /nfs/dbraw/zinc/86/03/34/860860334.db2.gz QHIGONYWIJKCDC-UHFFFAOYSA-N 2 1 382.464 3.523 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192683262 860906313 /nfs/dbraw/zinc/90/63/13/860906313.db2.gz NMLRLGIRFVYDGC-DEOSSOPVSA-N 2 1 378.564 3.861 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2)C[C@H](C)O1 ZINC000156670725 860926220 /nfs/dbraw/zinc/92/62/20/860926220.db2.gz DJHBCSYANGAYGW-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2)C[C@H](C)O1 ZINC000156670725 860926234 /nfs/dbraw/zinc/92/62/34/860926234.db2.gz DJHBCSYANGAYGW-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1Cl ZINC000557038977 881606580 /nfs/dbraw/zinc/60/65/80/881606580.db2.gz UKGUKURTSMMNFH-SFHVURJKSA-N 2 1 390.890 3.549 20 0 GHADMP C[C@@H](C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000599314546 861055152 /nfs/dbraw/zinc/05/51/52/861055152.db2.gz HKRRYRMYHWYPPG-FQEVSTJZSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H](C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000599314546 861055161 /nfs/dbraw/zinc/05/51/61/861055161.db2.gz HKRRYRMYHWYPPG-FQEVSTJZSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCc2ccccc2C1 ZINC000599314546 861055170 /nfs/dbraw/zinc/05/51/70/861055170.db2.gz HKRRYRMYHWYPPG-FQEVSTJZSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCc2ccccc2C1 ZINC000599314546 861055182 /nfs/dbraw/zinc/05/51/82/861055182.db2.gz HKRRYRMYHWYPPG-FQEVSTJZSA-N 2 1 383.580 3.548 20 0 GHADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623444324 861074235 /nfs/dbraw/zinc/07/42/35/861074235.db2.gz CZFJHHVXQDQHLD-HKUYNNGSSA-N 2 1 375.557 3.505 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446045 861076388 /nfs/dbraw/zinc/07/63/88/861076388.db2.gz OIXLOVBQEXJQMJ-KBPBESRZSA-N 2 1 390.881 3.795 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1(C)C ZINC000623486015 861111866 /nfs/dbraw/zinc/11/18/66/861111866.db2.gz JGMBPLHLZQQJAB-QZTJIDSGSA-N 2 1 397.485 3.659 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1(C)C ZINC000623486015 861111874 /nfs/dbraw/zinc/11/18/74/861111874.db2.gz JGMBPLHLZQQJAB-QZTJIDSGSA-N 2 1 397.485 3.659 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182131166 863131137 /nfs/dbraw/zinc/13/11/37/863131137.db2.gz MNFJLFXOMRYGPB-OAQYLSRUSA-N 2 1 385.596 3.917 20 0 GHADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182267223 863168766 /nfs/dbraw/zinc/16/87/66/863168766.db2.gz KQOKYUOKRUIDGR-GMAHTHKFSA-N 2 1 380.532 3.874 20 0 GHADMP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000282607200 863247077 /nfs/dbraw/zinc/24/70/77/863247077.db2.gz YOOAFZUKKYJEFJ-IBGZPJMESA-N 2 1 392.547 3.561 20 0 GHADMP COc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183140207 863484303 /nfs/dbraw/zinc/48/43/03/863484303.db2.gz LSFKGBRRBNLGIP-DLBZAZTESA-N 2 1 392.503 3.545 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000183148923 863487076 /nfs/dbraw/zinc/48/70/76/863487076.db2.gz XQKCVORTJACVDO-KBPBESRZSA-N 2 1 383.883 3.907 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000175114717 863586516 /nfs/dbraw/zinc/58/65/16/863586516.db2.gz GHXDSEILXAACSM-UHFFFAOYSA-N 2 1 397.567 3.703 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@]4(CC=CCC4)C3)cc2)CC1 ZINC000734001500 863912170 /nfs/dbraw/zinc/91/21/70/863912170.db2.gz RXEVEVFCXWBCCR-DEOSSOPVSA-N 2 1 396.579 3.589 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000480061301 863966389 /nfs/dbraw/zinc/96/63/89/863966389.db2.gz XRMCRQNJMKYCJN-HSZRJFAPSA-N 2 1 379.504 3.751 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000480061301 863966399 /nfs/dbraw/zinc/96/63/99/863966399.db2.gz XRMCRQNJMKYCJN-HSZRJFAPSA-N 2 1 379.504 3.751 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C(C)C)cc1Cl ZINC000606936219 863972653 /nfs/dbraw/zinc/97/26/53/863972653.db2.gz FUMRIHMKBSKBLS-RTBURBONSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C(C)C)cc1Cl ZINC000606936219 863972660 /nfs/dbraw/zinc/97/26/60/863972660.db2.gz FUMRIHMKBSKBLS-RTBURBONSA-N 2 1 394.987 3.929 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2cccs2)CC1 ZINC000159067511 864022109 /nfs/dbraw/zinc/02/21/09/864022109.db2.gz GQRNADIVANWBMV-GOSISDBHSA-N 2 1 377.598 3.683 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2cccs2)CC1 ZINC000159067511 864022124 /nfs/dbraw/zinc/02/21/24/864022124.db2.gz GQRNADIVANWBMV-GOSISDBHSA-N 2 1 377.598 3.683 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000159189916 864058297 /nfs/dbraw/zinc/05/82/97/864058297.db2.gz ZWBDFRVQBGBSBC-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000159189916 864058311 /nfs/dbraw/zinc/05/83/11/864058311.db2.gz ZWBDFRVQBGBSBC-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000159189916 864058324 /nfs/dbraw/zinc/05/83/24/864058324.db2.gz ZWBDFRVQBGBSBC-DENIHFKCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000607283684 864242519 /nfs/dbraw/zinc/24/25/19/864242519.db2.gz DFCYVOPODOTTMQ-MQSCRBSSSA-N 2 1 385.596 3.915 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000132844959 881750016 /nfs/dbraw/zinc/75/00/16/881750016.db2.gz AVOWGQIYLKWNEO-QZTJIDSGSA-N 2 1 392.975 3.694 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000132844959 881750029 /nfs/dbraw/zinc/75/00/29/881750029.db2.gz AVOWGQIYLKWNEO-QZTJIDSGSA-N 2 1 392.975 3.694 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000523003110 864314785 /nfs/dbraw/zinc/31/47/85/864314785.db2.gz IFBMLZFOJJGOKG-QHAWAJNXSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000523003110 864314789 /nfs/dbraw/zinc/31/47/89/864314789.db2.gz IFBMLZFOJJGOKG-QHAWAJNXSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000523003110 864314792 /nfs/dbraw/zinc/31/47/92/864314792.db2.gz IFBMLZFOJJGOKG-QHAWAJNXSA-N 2 1 378.605 3.547 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056970 864363513 /nfs/dbraw/zinc/36/35/13/864363513.db2.gz KXVRKZXRVVFPAV-MXNKGDRCSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056970 864363519 /nfs/dbraw/zinc/36/35/19/864363519.db2.gz KXVRKZXRVVFPAV-MXNKGDRCSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056970 864363530 /nfs/dbraw/zinc/36/35/30/864363530.db2.gz KXVRKZXRVVFPAV-MXNKGDRCSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056970 864363546 /nfs/dbraw/zinc/36/35/46/864363546.db2.gz KXVRKZXRVVFPAV-MXNKGDRCSA-N 2 1 395.547 3.985 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c2cccs2)CC1 ZINC000554552900 864536598 /nfs/dbraw/zinc/53/65/98/864536598.db2.gz GJEGWZVQBYQXIF-SESVDKBCSA-N 2 1 384.593 3.748 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCOc3cc(C)ccc32)c1 ZINC000163629106 864543597 /nfs/dbraw/zinc/54/35/97/864543597.db2.gz SOUWWBGVEMECLL-HSZRJFAPSA-N 2 1 398.547 3.956 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000163639889 864546168 /nfs/dbraw/zinc/54/61/68/864546168.db2.gz BAUNAXSOIWQPJP-QFIPXVFZSA-N 2 1 384.520 3.647 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000444337593 864760615 /nfs/dbraw/zinc/76/06/15/864760615.db2.gz BENIOVHBIZCLPN-KURKYZTESA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000444337593 864760631 /nfs/dbraw/zinc/76/06/31/864760631.db2.gz BENIOVHBIZCLPN-KURKYZTESA-N 2 1 383.540 3.661 20 0 GHADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182651498 864921562 /nfs/dbraw/zinc/92/15/62/864921562.db2.gz GFKCMMIRHDUFEK-WOJBJXKFSA-N 2 1 378.605 3.595 20 0 GHADMP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1OCC(=O)N(C)C ZINC000480614168 864951837 /nfs/dbraw/zinc/95/18/37/864951837.db2.gz SNDYOEFINUDHQJ-ZJOUEHCJSA-N 2 1 389.584 3.562 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(Br)o2)[C@H](c2ccccc2)C1 ZINC000480643711 865004139 /nfs/dbraw/zinc/00/41/39/865004139.db2.gz OQCNXGZRNYBUEW-SFHVURJKSA-N 2 1 392.341 3.511 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000667723891 865061750 /nfs/dbraw/zinc/06/17/50/865061750.db2.gz MKUQAGMWPWEBQL-IRLDBZIGSA-N 2 1 378.520 3.664 20 0 GHADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1OC(F)F ZINC000192920130 865074214 /nfs/dbraw/zinc/07/42/14/865074214.db2.gz HMWRSRKUQSSVHM-KRWDZBQOSA-N 2 1 376.447 3.908 20 0 GHADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC(F)F ZINC000192920130 865074229 /nfs/dbraw/zinc/07/42/29/865074229.db2.gz HMWRSRKUQSSVHM-KRWDZBQOSA-N 2 1 376.447 3.908 20 0 GHADMP CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](CC)CC1 ZINC000480664502 865082019 /nfs/dbraw/zinc/08/20/19/865082019.db2.gz NCEKSWLWPLARCQ-LJQANCHMSA-N 2 1 383.374 3.861 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC000480694039 865099213 /nfs/dbraw/zinc/09/92/13/865099213.db2.gz NQOQQYQGXLCNRI-HSZRJFAPSA-N 2 1 379.548 3.610 20 0 GHADMP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1Oc1cccnc1 ZINC000665639066 865164757 /nfs/dbraw/zinc/16/47/57/865164757.db2.gz KVEPDLPCWGQACE-SFHVURJKSA-N 2 1 399.539 3.576 20 0 GHADMP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1Oc1cccnc1 ZINC000665639066 865164766 /nfs/dbraw/zinc/16/47/66/865164766.db2.gz KVEPDLPCWGQACE-SFHVURJKSA-N 2 1 399.539 3.576 20 0 GHADMP COCCC[NH+]1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301150428 865190636 /nfs/dbraw/zinc/19/06/36/865190636.db2.gz MNMRLAALCXAHHV-UHFFFAOYSA-N 2 1 378.314 3.910 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000171454591 865256557 /nfs/dbraw/zinc/25/65/57/865256557.db2.gz PPAMQJAVVMEPGT-QHCPKHFHSA-N 2 1 377.532 3.629 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)C[C@@H]3CCC[N@@H+](C)C3)c2c1C ZINC000301300373 865271043 /nfs/dbraw/zinc/27/10/43/865271043.db2.gz QUWZTSBXVDFXOH-QGZVFWFLSA-N 2 1 387.597 3.682 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)C[C@@H]3CCC[N@H+](C)C3)c2c1C ZINC000301300373 865271050 /nfs/dbraw/zinc/27/10/50/865271050.db2.gz QUWZTSBXVDFXOH-QGZVFWFLSA-N 2 1 387.597 3.682 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)C[C@@H]3CCC[N@@H+](C)C3)c2c1C ZINC000301300373 865271063 /nfs/dbraw/zinc/27/10/63/865271063.db2.gz QUWZTSBXVDFXOH-QGZVFWFLSA-N 2 1 387.597 3.682 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(OC)c1 ZINC000480796072 865288501 /nfs/dbraw/zinc/28/85/01/865288501.db2.gz MEIXQSIKDWQXOK-WMZHIEFXSA-N 2 1 397.563 3.733 20 0 GHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000133012511 881865973 /nfs/dbraw/zinc/86/59/73/881865973.db2.gz YSPSRUTZMUYIRN-KUHUBIRLSA-N 2 1 383.458 3.568 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000667769194 865442369 /nfs/dbraw/zinc/44/23/69/865442369.db2.gz ATZDCHLBYLBEBN-UHFFFAOYSA-N 2 1 380.536 3.844 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000608563627 865464811 /nfs/dbraw/zinc/46/48/11/865464811.db2.gz QDGMJGXFTRTQAC-OAQYLSRUSA-N 2 1 381.564 3.839 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000608563627 865464815 /nfs/dbraw/zinc/46/48/15/865464815.db2.gz QDGMJGXFTRTQAC-OAQYLSRUSA-N 2 1 381.564 3.839 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000555094904 865471922 /nfs/dbraw/zinc/47/19/22/865471922.db2.gz RBVPGJOHOMYWTF-DHIUTWEWSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000555094904 865471927 /nfs/dbraw/zinc/47/19/27/865471927.db2.gz RBVPGJOHOMYWTF-DHIUTWEWSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000555094904 865471931 /nfs/dbraw/zinc/47/19/31/865471931.db2.gz RBVPGJOHOMYWTF-DHIUTWEWSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000608636415 865518914 /nfs/dbraw/zinc/51/89/14/865518914.db2.gz NCOUNDOMDAQNBV-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608636415 865518927 /nfs/dbraw/zinc/51/89/27/865518927.db2.gz NCOUNDOMDAQNBV-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608636415 865518940 /nfs/dbraw/zinc/51/89/40/865518940.db2.gz NCOUNDOMDAQNBV-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CCc1cc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)c2ccccc2[nH+]1 ZINC000301814702 865549061 /nfs/dbraw/zinc/54/90/61/865549061.db2.gz ZBQDMOJIPNAEDF-UHFFFAOYSA-N 2 1 394.563 3.568 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000667788801 865568044 /nfs/dbraw/zinc/56/80/44/865568044.db2.gz CNVCTTRKEZWXHG-ACIOBRDBSA-N 2 1 392.547 3.828 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000164604243 865706217 /nfs/dbraw/zinc/70/62/17/865706217.db2.gz WNKVFVOOTRXTPF-LJQANCHMSA-N 2 1 394.563 3.575 20 0 GHADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121078423 881908569 /nfs/dbraw/zinc/90/85/69/881908569.db2.gz FLTPSSOJKSOJIQ-IBGZPJMESA-N 2 1 384.568 3.520 20 0 GHADMP CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486248 865912240 /nfs/dbraw/zinc/91/22/40/865912240.db2.gz YXVLBBKUEJFHGZ-HXUWFJFHSA-N 2 1 377.536 3.621 20 0 GHADMP CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486248 865912247 /nfs/dbraw/zinc/91/22/47/865912247.db2.gz YXVLBBKUEJFHGZ-HXUWFJFHSA-N 2 1 377.536 3.621 20 0 GHADMP CC[NH+](Cc1cnc2c(c1)c(C)nn2C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486248 865912251 /nfs/dbraw/zinc/91/22/51/865912251.db2.gz YXVLBBKUEJFHGZ-HXUWFJFHSA-N 2 1 377.536 3.621 20 0 GHADMP CC[NH+](Cc1cnc2c(c1)c(C)nn2C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486248 865912256 /nfs/dbraw/zinc/91/22/56/865912256.db2.gz YXVLBBKUEJFHGZ-HXUWFJFHSA-N 2 1 377.536 3.621 20 0 GHADMP CC1(C)CCc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)ccc2O1 ZINC000740899063 866089330 /nfs/dbraw/zinc/08/93/30/866089330.db2.gz OVBTXFOACNCNSW-XZOQPEGZSA-N 2 1 394.559 3.763 20 0 GHADMP CC1(C)CCc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)ccc2O1 ZINC000740899063 866089344 /nfs/dbraw/zinc/08/93/44/866089344.db2.gz OVBTXFOACNCNSW-XZOQPEGZSA-N 2 1 394.559 3.763 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000320897475 866143725 /nfs/dbraw/zinc/14/37/25/866143725.db2.gz ZEKGQPSDMGJLMR-AWEZNQCLSA-N 2 1 385.346 3.676 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000320897475 866143736 /nfs/dbraw/zinc/14/37/36/866143736.db2.gz ZEKGQPSDMGJLMR-AWEZNQCLSA-N 2 1 385.346 3.676 20 0 GHADMP C[C@@H](CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000248750964 866325450 /nfs/dbraw/zinc/32/54/50/866325450.db2.gz BYIDCWBIOFEPAB-WMZHIEFXSA-N 2 1 379.548 3.667 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223610 866334534 /nfs/dbraw/zinc/33/45/34/866334534.db2.gz OGASAYOGFPWZEI-LPHOPBHVSA-N 2 1 398.954 3.501 20 0 GHADMP CC[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223610 866334556 /nfs/dbraw/zinc/33/45/56/866334556.db2.gz OGASAYOGFPWZEI-LPHOPBHVSA-N 2 1 398.954 3.501 20 0 GHADMP CC[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223610 866334574 /nfs/dbraw/zinc/33/45/74/866334574.db2.gz OGASAYOGFPWZEI-LPHOPBHVSA-N 2 1 398.954 3.501 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000857084394 881995544 /nfs/dbraw/zinc/99/55/44/881995544.db2.gz PHEWGVPJUBDOFY-CMKODMSKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000857084394 881995564 /nfs/dbraw/zinc/99/55/64/881995564.db2.gz PHEWGVPJUBDOFY-CMKODMSKSA-N 2 1 375.557 3.790 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414081019 866743794 /nfs/dbraw/zinc/74/37/94/866743794.db2.gz DSCGMBDIXWVBPH-XLIONFOSSA-N 2 1 377.960 3.508 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122289 866785645 /nfs/dbraw/zinc/78/56/45/866785645.db2.gz NUTHVMOOUUEQQZ-NQIIRXRSSA-N 2 1 391.987 3.899 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(OC)c1 ZINC000127293596 866808324 /nfs/dbraw/zinc/80/83/24/866808324.db2.gz HIEVSXFLKIPPDM-PNLZDCPESA-N 2 1 391.556 3.521 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000153684299 867023976 /nfs/dbraw/zinc/02/39/76/867023976.db2.gz ABTMCYLMLSXADR-ZJSXRUAMSA-N 3 1 392.591 3.581 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000523311731 867048422 /nfs/dbraw/zinc/04/84/22/867048422.db2.gz YDBLGZXDRLMEQJ-LEWJYISDSA-N 2 1 386.499 3.729 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)CC[N@H+]1C ZINC000444715545 867127680 /nfs/dbraw/zinc/12/76/80/867127680.db2.gz DGGGVJRBFXJYSG-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH+]1C ZINC000444715545 867127688 /nfs/dbraw/zinc/12/76/88/867127688.db2.gz DGGGVJRBFXJYSG-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH+]1C ZINC000444715545 867127704 /nfs/dbraw/zinc/12/77/04/867127704.db2.gz DGGGVJRBFXJYSG-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP c1cc2nccc(N3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)c2s1 ZINC000553333558 867199469 /nfs/dbraw/zinc/19/94/69/867199469.db2.gz BLCGAISMEBMLMN-LJQANCHMSA-N 2 1 378.545 3.693 20 0 GHADMP c1cc2[nH+]ccc(N3CCN([C@@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)c2s1 ZINC000553333558 867199472 /nfs/dbraw/zinc/19/94/72/867199472.db2.gz BLCGAISMEBMLMN-LJQANCHMSA-N 2 1 378.545 3.693 20 0 GHADMP c1cc2[nH+]ccc(N3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)CC3)c2s1 ZINC000553333558 867199477 /nfs/dbraw/zinc/19/94/77/867199477.db2.gz BLCGAISMEBMLMN-LJQANCHMSA-N 2 1 378.545 3.693 20 0 GHADMP CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000444770857 867207973 /nfs/dbraw/zinc/20/79/73/867207973.db2.gz HRFAWMDLIUBBJI-LJQANCHMSA-N 2 1 375.582 3.542 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cc(Cl)ccc3OC)CCOCC2)[C@H](C)C1 ZINC000154071698 867235134 /nfs/dbraw/zinc/23/51/34/867235134.db2.gz YFYASGLVRCKHEV-APWZRJJASA-N 2 1 380.960 3.717 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(CC[NH+](C)C)C(C)C)c2c1C ZINC000444828407 867277615 /nfs/dbraw/zinc/27/76/15/867277615.db2.gz ROOVGUSMMFQXMA-UHFFFAOYSA-N 2 1 375.586 3.680 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000620763628 867320475 /nfs/dbraw/zinc/32/04/75/867320475.db2.gz BBTUAHSJHSUETK-OAQYLSRUSA-N 2 1 380.536 3.782 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165779 882072043 /nfs/dbraw/zinc/07/20/43/882072043.db2.gz ZKYQKOJNRIZBHV-VABKMULXSA-N 2 1 377.532 3.671 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165779 882072058 /nfs/dbraw/zinc/07/20/58/882072058.db2.gz ZKYQKOJNRIZBHV-VABKMULXSA-N 2 1 377.532 3.671 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@@H]1c1ccccc1 ZINC000857165779 882072074 /nfs/dbraw/zinc/07/20/74/882072074.db2.gz ZKYQKOJNRIZBHV-VABKMULXSA-N 2 1 377.532 3.671 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479310190 867532704 /nfs/dbraw/zinc/53/27/04/867532704.db2.gz GKNGHLGORABSAM-SFHVURJKSA-N 2 1 381.358 3.872 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000429540180 882123221 /nfs/dbraw/zinc/12/32/21/882123221.db2.gz WJNLJROGCVIZDJ-HXUWFJFHSA-N 2 1 393.531 3.662 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000429540180 882123231 /nfs/dbraw/zinc/12/32/31/882123231.db2.gz WJNLJROGCVIZDJ-HXUWFJFHSA-N 2 1 393.531 3.662 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534966222 867841142 /nfs/dbraw/zinc/84/11/42/867841142.db2.gz JEJXRDYUVWVUAT-NRFANRHFSA-N 2 1 391.559 3.679 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479515407 867941462 /nfs/dbraw/zinc/94/14/62/867941462.db2.gz MHSXBFAWOZMKHB-HXUWFJFHSA-N 2 1 392.632 3.795 20 0 GHADMP COc1cccc(C[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C2CC2)c1 ZINC000121514892 882145707 /nfs/dbraw/zinc/14/57/07/882145707.db2.gz MCICHETXYSBSQM-QFIPXVFZSA-N 2 1 380.536 3.682 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155742084 868074207 /nfs/dbraw/zinc/07/42/07/868074207.db2.gz MYRXDMSMOCDFID-UHFFFAOYSA-N 2 1 388.581 3.776 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155742084 868074223 /nfs/dbraw/zinc/07/42/23/868074223.db2.gz MYRXDMSMOCDFID-UHFFFAOYSA-N 2 1 388.581 3.776 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258896 882151088 /nfs/dbraw/zinc/15/10/88/882151088.db2.gz IYVQQRSNEUFVPZ-IRLDBZIGSA-N 2 1 383.511 3.668 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000155777274 868096288 /nfs/dbraw/zinc/09/62/88/868096288.db2.gz RVCBULGFAYZFHH-MOPGFXCFSA-N 2 1 390.535 3.745 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000457467625 868310116 /nfs/dbraw/zinc/31/01/16/868310116.db2.gz CAKHELVAFVZKMW-MOPGFXCFSA-N 2 1 392.613 3.552 20 0 GHADMP COc1cccc2cc(C[NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)oc21 ZINC000743722587 868386009 /nfs/dbraw/zinc/38/60/09/868386009.db2.gz ZWVXVILYXCFWKW-SFHVURJKSA-N 2 1 385.533 3.581 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000156700318 868441483 /nfs/dbraw/zinc/44/14/83/868441483.db2.gz OKGUIHNCLIQQMA-DXIQSLLYSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1cccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1C ZINC000156897236 868495190 /nfs/dbraw/zinc/49/51/90/868495190.db2.gz UYIBRSPJGONKMK-UGKGYDQZSA-N 2 1 379.548 3.852 20 0 GHADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000524155891 868624149 /nfs/dbraw/zinc/62/41/49/868624149.db2.gz JTNDYXPMWAJJMV-VIZSFHNOSA-N 2 1 385.596 3.914 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000535398457 868690909 /nfs/dbraw/zinc/69/09/09/868690909.db2.gz SAEKQORJZPOVBU-RJGXRXQPSA-N 2 1 392.547 3.568 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000524369201 868948881 /nfs/dbraw/zinc/94/88/81/868948881.db2.gz NLFFGURSPBWHJB-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cn1 ZINC000491247953 868972872 /nfs/dbraw/zinc/97/28/72/868972872.db2.gz RVGFKCAANUOHGT-UHFFFAOYSA-N 2 1 389.503 3.614 20 0 GHADMP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CCC1 ZINC000445859363 869062748 /nfs/dbraw/zinc/06/27/48/869062748.db2.gz MEBNMQJYMJVMHB-UHFFFAOYSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000446236425 869583868 /nfs/dbraw/zinc/58/38/68/869583868.db2.gz GGMFEEIQEWTYOI-UHFFFAOYSA-N 2 1 388.556 3.597 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190955949 882319528 /nfs/dbraw/zinc/31/95/28/882319528.db2.gz RZFJKXMCBUHUMC-UHFFFAOYSA-N 2 1 394.810 3.527 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000446580070 870055814 /nfs/dbraw/zinc/05/58/14/870055814.db2.gz KTYVZETZVPXPME-DEOSSOPVSA-N 2 1 394.563 3.967 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043233 870292083 /nfs/dbraw/zinc/29/20/83/870292083.db2.gz SBRWQNRADNEVIJ-XQBPLPMBSA-N 2 1 386.584 3.703 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000525300747 870353817 /nfs/dbraw/zinc/35/38/17/870353817.db2.gz OVISXPPCWHXRPC-MJGOQNOKSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000525300747 870353830 /nfs/dbraw/zinc/35/38/30/870353830.db2.gz OVISXPPCWHXRPC-MJGOQNOKSA-N 2 1 392.613 3.647 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000525300747 870353843 /nfs/dbraw/zinc/35/38/43/870353843.db2.gz OVISXPPCWHXRPC-MJGOQNOKSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248391091 870361227 /nfs/dbraw/zinc/36/12/27/870361227.db2.gz BZWXVLXOAYFLEC-BVSLBCMMSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248391091 870361228 /nfs/dbraw/zinc/36/12/28/870361228.db2.gz BZWXVLXOAYFLEC-BVSLBCMMSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248391091 870361235 /nfs/dbraw/zinc/36/12/35/870361235.db2.gz BZWXVLXOAYFLEC-BVSLBCMMSA-N 2 1 383.580 3.668 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCN(c5ccccn5)C4)[C@@H]3C2)cc1 ZINC000248395692 870364992 /nfs/dbraw/zinc/36/49/92/870364992.db2.gz GOZVEDZKEIETSS-GPJHCHHRSA-N 2 1 376.548 3.551 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000248403319 870377337 /nfs/dbraw/zinc/37/73/37/870377337.db2.gz OMAMSWFGOAGPOQ-CMKODMSKSA-N 2 1 390.572 3.615 20 0 GHADMP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408754 870389956 /nfs/dbraw/zinc/38/99/56/870389956.db2.gz VVNSHAXJVRPLBI-XKCSPQBFSA-N 2 1 398.595 3.776 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4ccnc(N5CCCC5)c4)[C@@H]3C2)cc1 ZINC000248419828 870401623 /nfs/dbraw/zinc/40/16/23/870401623.db2.gz VSFOTZHGKRXPND-YTFSRNRJSA-N 2 1 376.548 3.682 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000538720148 870415851 /nfs/dbraw/zinc/41/58/51/870415851.db2.gz JHAYZRLOXBMTKT-YLJYHZDGSA-N 2 1 398.551 3.553 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000538720148 870415859 /nfs/dbraw/zinc/41/58/59/870415859.db2.gz JHAYZRLOXBMTKT-YLJYHZDGSA-N 2 1 398.551 3.553 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000538720148 870415871 /nfs/dbraw/zinc/41/58/71/870415871.db2.gz JHAYZRLOXBMTKT-YLJYHZDGSA-N 2 1 398.551 3.553 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000538720148 870415884 /nfs/dbraw/zinc/41/58/84/870415884.db2.gz JHAYZRLOXBMTKT-YLJYHZDGSA-N 2 1 398.551 3.553 20 0 GHADMP Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000538720974 870417806 /nfs/dbraw/zinc/41/78/06/870417806.db2.gz HXYBWWKCILKRRJ-SIKLNZKXSA-N 2 1 379.552 3.510 20 0 GHADMP Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000538720974 870417812 /nfs/dbraw/zinc/41/78/12/870417812.db2.gz HXYBWWKCILKRRJ-SIKLNZKXSA-N 2 1 379.552 3.510 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1OC(F)F ZINC000248458812 870436346 /nfs/dbraw/zinc/43/63/46/870436346.db2.gz VDZPLINQXOPEGS-RDTXWAMCSA-N 2 1 394.437 3.845 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCc2ccccc2)c1 ZINC000538798109 870629187 /nfs/dbraw/zinc/62/91/87/870629187.db2.gz OAKSCAODPXXBLG-JRFVFWCSSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCc2ccccc2)c1 ZINC000538798109 870629190 /nfs/dbraw/zinc/62/91/90/870629190.db2.gz OAKSCAODPXXBLG-JRFVFWCSSA-N 2 1 380.532 3.949 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248997094 870717788 /nfs/dbraw/zinc/71/77/88/870717788.db2.gz GWOAQKUKXPIVCR-AZUAARDMSA-N 2 1 392.613 3.648 20 0 GHADMP C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775550800 870720190 /nfs/dbraw/zinc/72/01/90/870720190.db2.gz BLAXVCKPOMVKDW-AZUAARDMSA-N 2 1 387.568 3.934 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2)cs1 ZINC000649417772 870741754 /nfs/dbraw/zinc/74/17/54/870741754.db2.gz FLWDWSNBLKHKFC-MOPGFXCFSA-N 2 1 398.576 3.769 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000448474010 870760242 /nfs/dbraw/zinc/76/02/42/870760242.db2.gz UVRQWFRSMDHVHL-FCHUYYIVSA-N 2 1 392.632 3.508 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCSc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000540244645 870845339 /nfs/dbraw/zinc/84/53/39/870845339.db2.gz CZFXTQUTASWANC-ROUUACIJSA-N 2 1 396.572 3.508 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168835613 870891991 /nfs/dbraw/zinc/89/19/91/870891991.db2.gz UMJPFLPMDFRTTE-QAPCUYQASA-N 2 1 393.959 3.988 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cncc(C(F)(F)F)c3)CC2)CC1 ZINC000463107222 870898359 /nfs/dbraw/zinc/89/83/59/870898359.db2.gz LKALVKKGBSDHIE-UHFFFAOYSA-N 2 1 398.517 3.729 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463129483 870944262 /nfs/dbraw/zinc/94/42/62/870944262.db2.gz CVSIQGLVHYJYPO-NZQKXSOJSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000463129483 870944277 /nfs/dbraw/zinc/94/42/77/870944277.db2.gz CVSIQGLVHYJYPO-NZQKXSOJSA-N 2 1 381.564 3.770 20 0 GHADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429697796 871045650 /nfs/dbraw/zinc/04/56/50/871045650.db2.gz MKPRLQPACJRSSL-REWPJTCUSA-N 2 1 399.604 3.718 20 0 GHADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429697796 871045655 /nfs/dbraw/zinc/04/56/55/871045655.db2.gz MKPRLQPACJRSSL-REWPJTCUSA-N 2 1 399.604 3.718 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000463190605 871091214 /nfs/dbraw/zinc/09/12/14/871091214.db2.gz JJDQLEHMQXVXHG-UHFFFAOYSA-N 2 1 398.522 3.826 20 0 GHADMP CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001169078649 871183638 /nfs/dbraw/zinc/18/36/38/871183638.db2.gz OJMRNWWNKXKQPV-JOCHJYFZSA-N 2 1 398.595 3.824 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000539059133 871196535 /nfs/dbraw/zinc/19/65/35/871196535.db2.gz CKASGWPHRYNSMO-AABGKKOBSA-N 2 1 378.944 3.830 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449082679 871197975 /nfs/dbraw/zinc/19/79/75/871197975.db2.gz OYYJNCRRYQOSQW-SFHVURJKSA-N 2 1 386.561 3.754 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449082679 871197982 /nfs/dbraw/zinc/19/79/82/871197982.db2.gz OYYJNCRRYQOSQW-SFHVURJKSA-N 2 1 386.561 3.754 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000539063545 871210086 /nfs/dbraw/zinc/21/00/86/871210086.db2.gz KNNHULGLEDUSEI-ZCNNSNEGSA-N 2 1 378.944 3.830 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3C(F)(F)F)CC1)C2 ZINC001169119549 871211636 /nfs/dbraw/zinc/21/16/36/871211636.db2.gz UGWWNIFBZMOMJQ-BJWYYQGGSA-N 2 1 395.469 3.525 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169139410 871228478 /nfs/dbraw/zinc/22/84/78/871228478.db2.gz BWKZJSSLSPQRQF-AERCQKQUSA-N 2 1 391.600 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(Br)c3)CC1)C2 ZINC001169109471 871235377 /nfs/dbraw/zinc/23/53/77/871235377.db2.gz IWQWUOQJRXRUNH-ACDBMABISA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC1(c3cccc(Br)c3)CCOCC1)C2 ZINC001169115744 871247813 /nfs/dbraw/zinc/24/78/13/871247813.db2.gz NWKYDYUOROPLBW-LDLYASANSA-N 2 1 393.369 3.712 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@H](C)C1 ZINC000122255005 882490765 /nfs/dbraw/zinc/49/07/65/882490765.db2.gz XYJQCYLKHONFSA-UWVAXJGDSA-N 2 1 387.568 3.704 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169250553 871349415 /nfs/dbraw/zinc/34/94/15/871349415.db2.gz QBDOJLARQSVBAN-OALUTQOASA-N 2 1 379.589 3.830 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169250553 871349434 /nfs/dbraw/zinc/34/94/34/871349434.db2.gz QBDOJLARQSVBAN-OALUTQOASA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)C[C@H](C)O1 ZINC000539145967 871371511 /nfs/dbraw/zinc/37/15/11/871371511.db2.gz DBSQFRQZRPUQBE-IXFSTUDKSA-N 2 1 390.543 3.793 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)C[C@H](C)O1 ZINC000539145967 871371533 /nfs/dbraw/zinc/37/15/33/871371533.db2.gz DBSQFRQZRPUQBE-IXFSTUDKSA-N 2 1 390.543 3.793 20 0 GHADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539145571 871371943 /nfs/dbraw/zinc/37/19/43/871371943.db2.gz IVFRZWYTBXFYPR-KURKYZTESA-N 2 1 380.960 3.991 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000447303323 871386386 /nfs/dbraw/zinc/38/63/86/871386386.db2.gz DSADNUMGGICQMK-UHFFFAOYSA-N 2 1 392.547 3.707 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000462030902 871511915 /nfs/dbraw/zinc/51/19/15/871511915.db2.gz KBODBEOPUWFUKA-UHFFFAOYSA-N 2 1 396.535 3.576 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1Br ZINC001206014002 871703790 /nfs/dbraw/zinc/70/37/90/871703790.db2.gz UTJLPAJBWLRIDI-DGCLKSJQSA-N 2 1 375.738 3.918 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169709638 871793831 /nfs/dbraw/zinc/79/38/31/871793831.db2.gz JJKQNUIGNQBTGZ-VWNXMTODSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169709638 871793842 /nfs/dbraw/zinc/79/38/42/871793842.db2.gz JJKQNUIGNQBTGZ-VWNXMTODSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169709638 871793849 /nfs/dbraw/zinc/79/38/49/871793849.db2.gz JJKQNUIGNQBTGZ-VWNXMTODSA-N 2 1 399.579 3.986 20 0 GHADMP O=C1NCCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1Cc1ccccc1 ZINC001194691766 871890265 /nfs/dbraw/zinc/89/02/65/871890265.db2.gz LDAUPEHLBGMGNJ-DEOSSOPVSA-N 2 1 391.559 3.606 20 0 GHADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000618985669 872214865 /nfs/dbraw/zinc/21/48/65/872214865.db2.gz MQQMGTWSFXQPAO-QUCCMNQESA-N 2 1 386.584 3.730 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000552251047 872270148 /nfs/dbraw/zinc/27/01/48/872270148.db2.gz JJYDWOCUKMYCSQ-KNTRFNDTSA-N 2 1 392.385 3.738 20 0 GHADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000552282397 872343544 /nfs/dbraw/zinc/34/35/44/872343544.db2.gz CKFUJXCBGCJURL-RCCFBDPRSA-N 2 1 381.358 3.853 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000093770157 872409186 /nfs/dbraw/zinc/40/91/86/872409186.db2.gz HYKOVIQZBVILMH-IBGZPJMESA-N 2 1 381.520 3.721 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000093770157 872409192 /nfs/dbraw/zinc/40/91/92/872409192.db2.gz HYKOVIQZBVILMH-IBGZPJMESA-N 2 1 381.520 3.721 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000093770157 872409202 /nfs/dbraw/zinc/40/92/02/872409202.db2.gz HYKOVIQZBVILMH-IBGZPJMESA-N 2 1 381.520 3.721 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000093770157 872409205 /nfs/dbraw/zinc/40/92/05/872409205.db2.gz HYKOVIQZBVILMH-IBGZPJMESA-N 2 1 381.520 3.721 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H]1c1cccs1 ZINC000175756855 882622948 /nfs/dbraw/zinc/62/29/48/882622948.db2.gz TYRGIBUAMXINCF-LPHOPBHVSA-N 2 1 392.613 3.693 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnn3-c3ccccc3)CC2)cs1 ZINC000447939841 872538368 /nfs/dbraw/zinc/53/83/68/872538368.db2.gz MKHDTMFPPNETOO-UHFFFAOYSA-N 2 1 395.576 3.893 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000540982692 872670060 /nfs/dbraw/zinc/67/00/60/872670060.db2.gz DNEITSWUATVGID-BHIYHBOVSA-N 2 1 399.485 3.713 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000540982692 872670070 /nfs/dbraw/zinc/67/00/70/872670070.db2.gz DNEITSWUATVGID-BHIYHBOVSA-N 2 1 399.485 3.713 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1F ZINC000552494707 872729124 /nfs/dbraw/zinc/72/91/24/872729124.db2.gz CILCVYFUBWUNSU-MRXNPFEDSA-N 2 1 389.858 3.503 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000163108280 872819537 /nfs/dbraw/zinc/81/95/37/872819537.db2.gz PPZJACSLKHHSAF-RHSMWYFYSA-N 2 1 389.371 3.527 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000527233031 872887521 /nfs/dbraw/zinc/88/75/21/872887521.db2.gz BDMDTSRPEYPYDG-YLJYHZDGSA-N 2 1 395.572 3.990 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000478386560 872920365 /nfs/dbraw/zinc/92/03/65/872920365.db2.gz AOEFYKOIDCFCRU-CVEARBPZSA-N 2 1 398.954 3.598 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000448205437 873043009 /nfs/dbraw/zinc/04/30/09/873043009.db2.gz PTHMVGOXLPQUON-AKIFATBCSA-N 2 1 398.595 3.728 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001196366797 873081731 /nfs/dbraw/zinc/08/17/31/873081731.db2.gz AZCMFXWYZVKYNF-UHFFFAOYSA-N 2 1 381.008 3.562 20 0 GHADMP CCOC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001196534814 873187373 /nfs/dbraw/zinc/18/73/73/873187373.db2.gz FHIKEASVEQNJOX-FQEVSTJZSA-N 2 1 396.535 3.562 20 0 GHADMP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC000527633419 873382815 /nfs/dbraw/zinc/38/28/15/873382815.db2.gz ZJDXNYXOBAAZCQ-UHFFFAOYSA-N 2 1 394.437 3.836 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527633645 873384300 /nfs/dbraw/zinc/38/43/00/873384300.db2.gz WNUKVRMPWGAMLM-UHFFFAOYSA-N 2 1 383.359 3.865 20 0 GHADMP COCC[N@H+](Cc1cc(Br)ccc1Cl)CC1CC[NH+](C)CC1 ZINC001196782433 873388302 /nfs/dbraw/zinc/38/83/02/873388302.db2.gz QLHXSICGQIBTIO-UHFFFAOYSA-N 2 1 389.765 3.893 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527672611 873434187 /nfs/dbraw/zinc/43/41/87/873434187.db2.gz BFUBVSQIDZOETP-RBUKOAKNSA-N 2 1 386.458 3.572 20 0 GHADMP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000768678335 873449877 /nfs/dbraw/zinc/44/98/77/873449877.db2.gz NJFVXWOEIGGIHD-HSALFYBXSA-N 2 1 397.604 3.645 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccccc2I)CC1 ZINC000768927804 873697642 /nfs/dbraw/zinc/69/76/42/873697642.db2.gz WSMZJQSQHBZWKJ-UHFFFAOYSA-N 2 1 386.321 3.843 20 0 GHADMP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888804 873718525 /nfs/dbraw/zinc/71/85/25/873718525.db2.gz VPNVNZXSZYPEGO-XMSQKQJNSA-N 2 1 390.531 3.505 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000541535920 873825402 /nfs/dbraw/zinc/82/54/02/873825402.db2.gz OPZOAZUHXVFFCU-LJQANCHMSA-N 2 1 375.520 3.672 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550883012 882765793 /nfs/dbraw/zinc/76/57/93/882765793.db2.gz WANCVEANIQHCFZ-QFIPXVFZSA-N 2 1 399.623 3.768 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550883012 882765804 /nfs/dbraw/zinc/76/58/04/882765804.db2.gz WANCVEANIQHCFZ-QFIPXVFZSA-N 3 1 399.623 3.768 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550883012 882765815 /nfs/dbraw/zinc/76/58/15/882765815.db2.gz WANCVEANIQHCFZ-QFIPXVFZSA-N 3 1 399.623 3.768 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)[C@H](C)C1 ZINC000527993917 873860534 /nfs/dbraw/zinc/86/05/34/873860534.db2.gz FZWOIYSALXMUJO-IERDGZPVSA-N 2 1 375.532 3.885 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CCCC1 ZINC000528012883 873883735 /nfs/dbraw/zinc/88/37/35/873883735.db2.gz BRFUIPHAWGQUTE-YPAWHYETSA-N 2 1 383.580 3.525 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448817072 873990665 /nfs/dbraw/zinc/99/06/65/873990665.db2.gz VJDYZSIBUWWMMK-UHFFFAOYSA-N 2 1 375.476 3.896 20 0 GHADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134207371 882782305 /nfs/dbraw/zinc/78/23/05/882782305.db2.gz UNEMGKAEJVVFJI-UHFFFAOYSA-N 2 1 380.458 3.900 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000550894648 882792623 /nfs/dbraw/zinc/79/26/23/882792623.db2.gz ITSNYNODTBKODO-VGOFRKELSA-N 2 1 387.543 3.874 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307104 874344539 /nfs/dbraw/zinc/34/45/39/874344539.db2.gz YXWFATPZPNKNCP-QUCCMNQESA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307104 874344551 /nfs/dbraw/zinc/34/45/51/874344551.db2.gz YXWFATPZPNKNCP-QUCCMNQESA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307104 874344558 /nfs/dbraw/zinc/34/45/58/874344558.db2.gz YXWFATPZPNKNCP-QUCCMNQESA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307104 874344569 /nfs/dbraw/zinc/34/45/69/874344569.db2.gz YXWFATPZPNKNCP-QUCCMNQESA-N 2 1 377.960 3.541 20 0 GHADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001198337220 874360768 /nfs/dbraw/zinc/36/07/68/874360768.db2.gz PVBSNCFSAMCVGD-LJQANCHMSA-N 2 1 390.572 3.941 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(F)cc(Cl)c1 ZINC000464741721 874396965 /nfs/dbraw/zinc/39/69/65/874396965.db2.gz PSMDKSOEPCAPGA-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000449093772 874495071 /nfs/dbraw/zinc/49/50/71/874495071.db2.gz YHCGSUXMDWSPER-NRFANRHFSA-N 2 1 395.591 3.812 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2cn(C)nc2Br)cc1 ZINC000858097903 882842240 /nfs/dbraw/zinc/84/22/40/882842240.db2.gz DLOFFFFCORIFCS-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858097903 882842261 /nfs/dbraw/zinc/84/22/61/882842261.db2.gz DLOFFFFCORIFCS-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858097903 882842273 /nfs/dbraw/zinc/84/22/73/882842273.db2.gz DLOFFFFCORIFCS-HNNXBMFYSA-N 2 1 391.357 3.847 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc2ccccc21 ZINC000449233426 874622901 /nfs/dbraw/zinc/62/29/01/874622901.db2.gz LNXIQNPMYPLWHD-JOCHJYFZSA-N 2 1 376.500 3.705 20 0 GHADMP C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845309 874627104 /nfs/dbraw/zinc/62/71/04/874627104.db2.gz MPASOCLLMHOJSO-FPOVZHCZSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@H](O)COc1ccc(Cl)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845309 874627109 /nfs/dbraw/zinc/62/71/09/874627109.db2.gz MPASOCLLMHOJSO-FPOVZHCZSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@H](O)COc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845309 874627113 /nfs/dbraw/zinc/62/71/13/874627113.db2.gz MPASOCLLMHOJSO-FPOVZHCZSA-N 2 1 388.939 3.534 20 0 GHADMP CC[NH+](CC)CCC[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001198952339 874726714 /nfs/dbraw/zinc/72/67/14/874726714.db2.gz HNNXHODPQXIHQV-UHFFFAOYSA-N 2 1 381.586 3.863 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000302991642 874756669 /nfs/dbraw/zinc/75/66/69/874756669.db2.gz FZYFVOBASXWKSY-XZOQPEGZSA-N 2 1 388.596 3.795 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000302991642 874756681 /nfs/dbraw/zinc/75/66/81/874756681.db2.gz FZYFVOBASXWKSY-XZOQPEGZSA-N 2 1 388.596 3.795 20 0 GHADMP COCCn1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000449411427 874834541 /nfs/dbraw/zinc/83/45/41/874834541.db2.gz BIQCCBQGXUKRID-HSZRJFAPSA-N 2 1 396.579 3.652 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC001199275026 874871220 /nfs/dbraw/zinc/87/12/20/874871220.db2.gz BTVVMDNFVMCGPO-AWEZNQCLSA-N 2 1 377.330 3.836 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC001199275026 874871232 /nfs/dbraw/zinc/87/12/32/874871232.db2.gz BTVVMDNFVMCGPO-AWEZNQCLSA-N 2 1 377.330 3.836 20 0 GHADMP C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475729999 882873696 /nfs/dbraw/zinc/87/36/96/882873696.db2.gz PFKQIRQWFNLINM-QPPBQGQZSA-N 2 1 383.580 3.622 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000449494564 874978449 /nfs/dbraw/zinc/97/84/49/874978449.db2.gz GVWBTUBIEFJWLI-XMMPIXPASA-N 2 1 385.596 3.651 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000449494564 874978452 /nfs/dbraw/zinc/97/84/52/874978452.db2.gz GVWBTUBIEFJWLI-XMMPIXPASA-N 2 1 385.596 3.651 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000449494564 874978461 /nfs/dbraw/zinc/97/84/61/874978461.db2.gz GVWBTUBIEFJWLI-XMMPIXPASA-N 2 1 385.596 3.651 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000449494564 874978471 /nfs/dbraw/zinc/97/84/71/874978471.db2.gz GVWBTUBIEFJWLI-XMMPIXPASA-N 2 1 385.596 3.651 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)nc1C ZINC000303185084 875204267 /nfs/dbraw/zinc/20/42/67/875204267.db2.gz YCNZIBGDIPUVFA-NRFANRHFSA-N 2 1 394.563 3.545 20 0 GHADMP O[C@@H](C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000776034097 875251789 /nfs/dbraw/zinc/25/17/89/875251789.db2.gz PUIYUBACLUMLMT-WMLDXEAASA-N 2 1 376.850 3.856 20 0 GHADMP C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CC[NH+](C)CC1 ZINC000528997187 875419196 /nfs/dbraw/zinc/41/91/96/875419196.db2.gz WNDBRIWGYWDQDK-WDJPJFJCSA-N 2 1 395.591 3.691 20 0 GHADMP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CC[N@H+](C)CC1 ZINC000528997187 875419200 /nfs/dbraw/zinc/41/92/00/875419200.db2.gz WNDBRIWGYWDQDK-WDJPJFJCSA-N 2 1 395.591 3.691 20 0 GHADMP C[C@H](NC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)C1=CC[N@@H+](C)CC1 ZINC000528997187 875419207 /nfs/dbraw/zinc/41/92/07/875419207.db2.gz WNDBRIWGYWDQDK-WDJPJFJCSA-N 2 1 395.591 3.691 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000491529039 875761877 /nfs/dbraw/zinc/76/18/77/875761877.db2.gz GGXXJPKLCULDEJ-PGRDOPGGSA-N 2 1 375.516 3.681 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000491529039 875761887 /nfs/dbraw/zinc/76/18/87/875761887.db2.gz GGXXJPKLCULDEJ-PGRDOPGGSA-N 2 1 375.516 3.681 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CCN(CCc3ccccc3)CC2)CC1 ZINC001201609259 875784542 /nfs/dbraw/zinc/78/45/42/875784542.db2.gz FJRZJVAJTSRONV-UHFFFAOYSA-N 2 1 387.568 3.683 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491588151 875846823 /nfs/dbraw/zinc/84/68/23/875846823.db2.gz FQQKNQQPOSSDMJ-CYBMUJFWSA-N 2 1 379.346 3.539 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000261693338 875895501 /nfs/dbraw/zinc/89/55/01/875895501.db2.gz HVOWPYVHHBZMON-KBXCAEBGSA-N 2 1 384.351 3.592 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000261695366 875910448 /nfs/dbraw/zinc/91/04/48/875910448.db2.gz HZAYIXVCCAHZFO-YTXYEVPYSA-N 2 1 397.485 3.722 20 0 GHADMP Cc1ccnc(-c2noc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)n2)c1 ZINC000450350890 876315172 /nfs/dbraw/zinc/31/51/72/876315172.db2.gz YDZLKQQBUTUOQV-UHFFFAOYSA-N 2 1 391.519 3.784 20 0 GHADMP Cc1ccnc(-c2noc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)n2)c1 ZINC000450350890 876315184 /nfs/dbraw/zinc/31/51/84/876315184.db2.gz YDZLKQQBUTUOQV-UHFFFAOYSA-N 2 1 391.519 3.784 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc2oc1=O ZINC000850402574 876883171 /nfs/dbraw/zinc/88/31/71/876883171.db2.gz OBBJRCXJUYINDP-HXUWFJFHSA-N 2 1 391.515 3.523 20 0 GHADMP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237697 876919494 /nfs/dbraw/zinc/91/94/94/876919494.db2.gz QKUQWFPQLTYKDA-QGZVFWFLSA-N 2 1 393.959 3.552 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816502 876971634 /nfs/dbraw/zinc/97/16/34/876971634.db2.gz KPZJNNOYVXCHJW-ROUUACIJSA-N 2 1 398.576 3.841 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816502 876971648 /nfs/dbraw/zinc/97/16/48/876971648.db2.gz KPZJNNOYVXCHJW-ROUUACIJSA-N 2 1 398.576 3.841 20 0 GHADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174341700 876974267 /nfs/dbraw/zinc/97/42/67/876974267.db2.gz UGXAYHFYWVEJAR-NHCUHLMSSA-N 2 1 389.609 3.505 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4c3OC(C)(C)CC4)CC2)CC1 ZINC000530042327 877023096 /nfs/dbraw/zinc/02/30/96/877023096.db2.gz OCHNVHDTUCCPCV-UHFFFAOYSA-N 2 1 399.579 3.925 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000174454020 877033260 /nfs/dbraw/zinc/03/32/60/877033260.db2.gz RNFWKKXOQBYDLI-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000850580793 877054157 /nfs/dbraw/zinc/05/41/57/877054157.db2.gz REDPMTXEZQBCKF-BTYIYWSLSA-N 2 1 392.465 3.823 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000193097259 883093386 /nfs/dbraw/zinc/09/33/86/883093386.db2.gz QMDUQKUNFNUJDB-FQEVSTJZSA-N 2 1 388.943 3.504 20 0 GHADMP Clc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248613 877345650 /nfs/dbraw/zinc/34/56/50/877345650.db2.gz NGOXDMXUGRXEIA-HNNXBMFYSA-N 2 1 387.749 3.693 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000174987278 877387922 /nfs/dbraw/zinc/38/79/22/877387922.db2.gz INIABKTWSAEKNP-NMMYMHLASA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000174987278 877387933 /nfs/dbraw/zinc/38/79/33/877387933.db2.gz INIABKTWSAEKNP-NMMYMHLASA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ncc(-c4cccc(F)c4)o3)CC2)C[C@@H](C)O1 ZINC000175160501 877500792 /nfs/dbraw/zinc/50/07/92/877500792.db2.gz PMSMFWNLZQLXQH-IAGOWNOFSA-N 2 1 387.499 3.802 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000392288306 877607936 /nfs/dbraw/zinc/60/79/36/877607936.db2.gz ZTRLRUXKQSNKPC-UHFFFAOYSA-N 2 1 383.330 3.598 20 0 GHADMP C[C@@H](C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000615445512 877744396 /nfs/dbraw/zinc/74/43/96/877744396.db2.gz QFYIGFCPJGJSRI-IBGZPJMESA-N 2 1 383.580 3.546 20 0 GHADMP C[C@H](C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451334570 877821340 /nfs/dbraw/zinc/82/13/40/877821340.db2.gz CDRRZYDPFFFHPU-LWEXMRFPSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@@H](C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334570 877821342 /nfs/dbraw/zinc/82/13/42/877821342.db2.gz CDRRZYDPFFFHPU-LWEXMRFPSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@@H](C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334570 877821349 /nfs/dbraw/zinc/82/13/49/877821349.db2.gz CDRRZYDPFFFHPU-LWEXMRFPSA-N 2 1 392.628 3.654 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC000788244657 877945747 /nfs/dbraw/zinc/94/57/47/877945747.db2.gz HZDDALTVDXWZLZ-RBUKOAKNSA-N 2 1 399.539 3.891 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000085400797 877961772 /nfs/dbraw/zinc/96/17/72/877961772.db2.gz FRAQARIVJXIBPO-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(Cl)nc1 ZINC000852084983 878067549 /nfs/dbraw/zinc/06/75/49/878067549.db2.gz DGDBHRCUINXZEE-UHFFFAOYSA-N 2 1 398.938 3.662 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(Cl)nc1 ZINC000852084983 878067565 /nfs/dbraw/zinc/06/75/65/878067565.db2.gz DGDBHRCUINXZEE-UHFFFAOYSA-N 2 1 398.938 3.662 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000245544214 878081792 /nfs/dbraw/zinc/08/17/92/878081792.db2.gz AVOWGQIYLKWNEO-ROUUACIJSA-N 2 1 392.975 3.694 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000245544214 878081808 /nfs/dbraw/zinc/08/18/08/878081808.db2.gz AVOWGQIYLKWNEO-ROUUACIJSA-N 2 1 392.975 3.694 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527157 878092734 /nfs/dbraw/zinc/09/27/34/878092734.db2.gz JQCGPZCYCJWGLK-GCJKJVERSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527157 878092753 /nfs/dbraw/zinc/09/27/53/878092753.db2.gz JQCGPZCYCJWGLK-GCJKJVERSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+]([C@H]3CCc4ccc(Cl)cc43)C2)CC1 ZINC000451527157 878092773 /nfs/dbraw/zinc/09/27/73/878092773.db2.gz JQCGPZCYCJWGLK-GCJKJVERSA-N 2 1 389.971 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000788526343 878158004 /nfs/dbraw/zinc/15/80/04/878158004.db2.gz PWLNCUTWCXXAQJ-AHRSYUTCSA-N 2 1 377.573 3.629 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000537721582 878192134 /nfs/dbraw/zinc/19/21/34/878192134.db2.gz JFEQNMDZRYXKJG-MOPGFXCFSA-N 2 1 397.485 3.785 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000788640387 878230102 /nfs/dbraw/zinc/23/01/02/878230102.db2.gz ADTRMZLWKWFABL-KRWDZBQOSA-N 2 1 375.557 3.872 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460648938 878328048 /nfs/dbraw/zinc/32/80/48/878328048.db2.gz NJNBOYJLTODZMK-NHCUHLMSSA-N 2 1 392.632 3.937 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245703489 878426195 /nfs/dbraw/zinc/42/61/95/878426195.db2.gz MDSJEAPKBMMRLD-BKFWDETESA-N 2 1 391.559 3.820 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245703489 878426212 /nfs/dbraw/zinc/42/62/12/878426212.db2.gz MDSJEAPKBMMRLD-BKFWDETESA-N 2 1 391.559 3.820 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000852753949 878579028 /nfs/dbraw/zinc/57/90/28/878579028.db2.gz LTCLWGCTYVSQCY-OAHLLOKOSA-N 2 1 383.508 3.651 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245779747 878588554 /nfs/dbraw/zinc/58/85/54/878588554.db2.gz YRASGOSXZZIXIR-JLLPCOHGSA-N 2 1 395.591 3.953 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cn1 ZINC000180176423 878615241 /nfs/dbraw/zinc/61/52/41/878615241.db2.gz DKPUNIIFYQIYCA-MOPGFXCFSA-N 2 1 399.539 3.749 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537967719 878637574 /nfs/dbraw/zinc/63/75/74/878637574.db2.gz WWAHRUXISDOHER-WMZHIEFXSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C(=O)C1CCC1)C1CC1 ZINC000537967719 878637584 /nfs/dbraw/zinc/63/75/84/878637584.db2.gz WWAHRUXISDOHER-WMZHIEFXSA-N 2 1 383.580 3.668 20 0 GHADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000177328784 878652694 /nfs/dbraw/zinc/65/26/94/878652694.db2.gz PIFVCXWVUQVNIX-UHFFFAOYSA-N 2 1 386.584 3.605 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(C[NH+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451911044 878683694 /nfs/dbraw/zinc/68/36/94/878683694.db2.gz OYLLCGWMPKJXPS-DNQXCXABSA-N 2 1 384.564 3.692 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000245879170 878690076 /nfs/dbraw/zinc/69/00/76/878690076.db2.gz AXAKXRUWUWQEIG-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000245879170 878690092 /nfs/dbraw/zinc/69/00/92/878690092.db2.gz AXAKXRUWUWQEIG-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000245879170 878690107 /nfs/dbraw/zinc/69/01/07/878690107.db2.gz AXAKXRUWUWQEIG-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000538045428 878755668 /nfs/dbraw/zinc/75/56/68/878755668.db2.gz LRZSUKDFIQGKNB-WOJBJXKFSA-N 2 1 390.568 3.564 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100421 878814077 /nfs/dbraw/zinc/81/40/77/878814077.db2.gz DYVKIGADNRHAQB-AHRSYUTCSA-N 2 1 393.453 3.807 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100421 878814089 /nfs/dbraw/zinc/81/40/89/878814089.db2.gz DYVKIGADNRHAQB-AHRSYUTCSA-N 2 1 393.453 3.807 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100424 878814380 /nfs/dbraw/zinc/81/43/80/878814380.db2.gz DYVKIGADNRHAQB-UXPWSPDFSA-N 2 1 393.453 3.807 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100424 878814390 /nfs/dbraw/zinc/81/43/90/878814390.db2.gz DYVKIGADNRHAQB-UXPWSPDFSA-N 2 1 393.453 3.807 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177703075 878821658 /nfs/dbraw/zinc/82/16/58/878821658.db2.gz LFZFKTHYTZDTHW-IBGZPJMESA-N 2 1 387.593 3.829 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000122410812 878894783 /nfs/dbraw/zinc/89/47/83/878894783.db2.gz OZQLWLRTOJJOHO-UZLBHIALSA-N 2 1 378.944 3.953 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000177876847 878901222 /nfs/dbraw/zinc/90/12/22/878901222.db2.gz ZSXDZWDBHYPFHP-FQEVSTJZSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000853239564 878922153 /nfs/dbraw/zinc/92/21/53/878922153.db2.gz HWQHOFCPYPCYNC-MJGOQNOKSA-N 2 1 379.589 3.734 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2)CC1 ZINC000138827858 878933027 /nfs/dbraw/zinc/93/30/27/878933027.db2.gz NGILYMLTPGTAEY-GOTSBHOMSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)c1cccs1 ZINC000246117124 879008826 /nfs/dbraw/zinc/00/88/26/879008826.db2.gz YEUFCSLJGNZZIN-QZTJIDSGSA-N 2 1 377.598 3.902 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1cccs1 ZINC000246117124 879008841 /nfs/dbraw/zinc/00/88/41/879008841.db2.gz YEUFCSLJGNZZIN-QZTJIDSGSA-N 2 1 377.598 3.902 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000531139950 879221790 /nfs/dbraw/zinc/22/17/90/879221790.db2.gz JSSSWEYUTGLEBG-VNQPRFMTSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000531139950 879221795 /nfs/dbraw/zinc/22/17/95/879221795.db2.gz JSSSWEYUTGLEBG-VNQPRFMTSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C ZINC000531139950 879221807 /nfs/dbraw/zinc/22/18/07/879221807.db2.gz JSSSWEYUTGLEBG-VNQPRFMTSA-N 2 1 375.340 3.538 20 0 GHADMP CCc1ccc([C@@H](CO)[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000538306957 879226112 /nfs/dbraw/zinc/22/61/12/879226112.db2.gz JLBLENQVZHZLJP-FCHUYYIVSA-N 2 1 380.532 3.860 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312276580 879321975 /nfs/dbraw/zinc/32/19/75/879321975.db2.gz JDRLFDQWNGIGTK-XMSQKQJNSA-N 2 1 386.561 3.653 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312276580 879321992 /nfs/dbraw/zinc/32/19/92/879321992.db2.gz JDRLFDQWNGIGTK-XMSQKQJNSA-N 2 1 386.561 3.653 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)C1 ZINC000246382805 879491723 /nfs/dbraw/zinc/49/17/23/879491723.db2.gz AANCDIQOXJZHCM-RBBKRZOGSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000246382805 879491733 /nfs/dbraw/zinc/49/17/33/879491733.db2.gz AANCDIQOXJZHCM-RBBKRZOGSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000246382805 879491741 /nfs/dbraw/zinc/49/17/41/879491741.db2.gz AANCDIQOXJZHCM-RBBKRZOGSA-N 2 1 392.632 3.793 20 0 GHADMP O=C1O[C@@]2(CN1C[N@H+]1C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]31)C[NH+]1CCC2CC1 ZINC000790385974 879657012 /nfs/dbraw/zinc/65/70/12/879657012.db2.gz OPGAQMZYXCBPTD-PIATZUFCSA-N 2 1 395.547 3.519 20 0 GHADMP O=C1O[C@]2(CN1C[N@H+]1CCC[C@@H]1c1cccc3ccccc31)C[NH+]1CCC2CC1 ZINC000790373226 879678658 /nfs/dbraw/zinc/67/86/58/879678658.db2.gz VUJQGKAKRWHDCG-VWNXMTODSA-N 2 1 391.515 3.851 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246580452 879698820 /nfs/dbraw/zinc/69/88/20/879698820.db2.gz ZHWJHFTVVTXKGZ-MIZPHKNDSA-N 2 1 399.554 3.513 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246580452 879698829 /nfs/dbraw/zinc/69/88/29/879698829.db2.gz ZHWJHFTVVTXKGZ-MIZPHKNDSA-N 2 1 399.554 3.513 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246580452 879698833 /nfs/dbraw/zinc/69/88/33/879698833.db2.gz ZHWJHFTVVTXKGZ-MIZPHKNDSA-N 2 1 399.554 3.513 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000493928883 879740505 /nfs/dbraw/zinc/74/05/05/879740505.db2.gz VRJYCLDNESNJJL-MSOLQXFVSA-N 2 1 381.358 3.571 20 0 GHADMP CCC[NH+]1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)CC1 ZINC000246838892 879821986 /nfs/dbraw/zinc/82/19/86/879821986.db2.gz CAMCPBIAIHTBDO-OXJNMPFZSA-N 2 1 397.966 3.705 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000246839689 879822118 /nfs/dbraw/zinc/82/21/18/879822118.db2.gz CBZWUMDDFHODQD-GIYDNNGJSA-N 2 1 397.966 3.561 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000246839689 879822129 /nfs/dbraw/zinc/82/21/29/879822129.db2.gz CBZWUMDDFHODQD-GIYDNNGJSA-N 2 1 397.966 3.561 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000246988435 879872982 /nfs/dbraw/zinc/87/29/82/879872982.db2.gz KBNIHDRDGLGPKB-NSHGMRRFSA-N 2 1 376.541 3.636 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000461464921 879882878 /nfs/dbraw/zinc/88/28/78/879882878.db2.gz DAGYTQQLCBXPCX-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000461464921 879882895 /nfs/dbraw/zinc/88/28/95/879882895.db2.gz DAGYTQQLCBXPCX-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000461464921 879882901 /nfs/dbraw/zinc/88/29/01/879882901.db2.gz DAGYTQQLCBXPCX-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000247025422 879890063 /nfs/dbraw/zinc/89/00/63/879890063.db2.gz QSZFWGWZCOWXCE-CEXWTWQISA-N 2 1 392.613 3.647 20 0 GHADMP C(CC[NH+]1CCC[C@H]1C1CCOCC1)CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000538627558 879894890 /nfs/dbraw/zinc/89/48/90/879894890.db2.gz JMIJDZDFKJXIKT-GOTSBHOMSA-N 2 1 378.601 3.939 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000247064283 879906697 /nfs/dbraw/zinc/90/66/97/879906697.db2.gz OGFADKSCTXXSBS-FVTFTPSCSA-N 2 1 386.584 3.554 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349649 879977808 /nfs/dbraw/zinc/97/78/08/879977808.db2.gz OXNRBAOTQFWGBM-BPUWIUIQSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349649 879977823 /nfs/dbraw/zinc/97/78/23/879977823.db2.gz OXNRBAOTQFWGBM-BPUWIUIQSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349649 879977837 /nfs/dbraw/zinc/97/78/37/879977837.db2.gz OXNRBAOTQFWGBM-BPUWIUIQSA-N 2 1 396.575 3.876 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c2ccccc2)cc1 ZINC000247349649 879977849 /nfs/dbraw/zinc/97/78/49/879977849.db2.gz OXNRBAOTQFWGBM-BPUWIUIQSA-N 2 1 396.575 3.876 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CSCCc3ccccc32)c2cccs2)CC1 ZINC000531676939 880308234 /nfs/dbraw/zinc/30/82/34/880308234.db2.gz UTFLRFPCIHQOJE-WOJBJXKFSA-N 2 1 387.618 3.657 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)CC2)oc1C ZINC000531714816 880346040 /nfs/dbraw/zinc/34/60/40/880346040.db2.gz PXQLZFARXRZJHU-MRXNPFEDSA-N 2 1 396.535 3.739 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000184751902 880372866 /nfs/dbraw/zinc/37/28/66/880372866.db2.gz WLMXVKZYGFRJLQ-WOJBJXKFSA-N 2 1 379.548 3.988 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CN(Cc4ccccc4)C[C@H]3C)CCCC2)CC1 ZINC000531720303 880376926 /nfs/dbraw/zinc/37/69/26/880376926.db2.gz KROCLACGNQGYLU-OFNKIYASSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2sccc21 ZINC000453054459 880403075 /nfs/dbraw/zinc/40/30/75/880403075.db2.gz BZZRGCGRJSCGNN-UZLBHIALSA-N 2 1 383.561 3.864 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453056395 880406473 /nfs/dbraw/zinc/40/64/73/880406473.db2.gz BWMUJNCKRUNWFM-XRXFAXGQSA-N 2 1 395.513 3.903 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000453085149 880443119 /nfs/dbraw/zinc/44/31/19/880443119.db2.gz FPPDSWOAABIBOC-QHCPKHFHSA-N 2 1 383.536 3.812 20 0 GHADMP OCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453147926 880513235 /nfs/dbraw/zinc/51/32/35/880513235.db2.gz ZIAPFQKEHVAGRS-WXFUMESZSA-N 2 1 380.532 3.591 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119427 912576168 /nfs/dbraw/zinc/57/61/68/912576168.db2.gz NZZMMDOURXYXLF-FUHIMQAGSA-N 2 1 379.504 3.579 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc2c(c1)OCC(=O)N2 ZINC000286119427 912576185 /nfs/dbraw/zinc/57/61/85/912576185.db2.gz NZZMMDOURXYXLF-FUHIMQAGSA-N 2 1 379.504 3.579 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000792271924 881028068 /nfs/dbraw/zinc/02/80/68/881028068.db2.gz NXBOIBLDXRENOU-KRWDZBQOSA-N 2 1 391.519 3.926 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000186945964 881031458 /nfs/dbraw/zinc/03/14/58/881031458.db2.gz CZTREVDYCOCULQ-UHFFFAOYSA-N 2 1 376.504 3.945 20 0 GHADMP Cc1ccc(-n2cc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)c(C(C)(C)C)n2)cc1 ZINC000532092542 881122587 /nfs/dbraw/zinc/12/25/87/881122587.db2.gz BMBCSJJOKXOKQD-JOCHJYFZSA-N 2 1 398.595 3.805 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000120097655 881261206 /nfs/dbraw/zinc/26/12/06/881261206.db2.gz SUUZGFHPVLAYEL-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP CN(C)C(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000499150324 881305583 /nfs/dbraw/zinc/30/55/83/881305583.db2.gz WGHXJNFFBKRAIR-KIHHCIJBSA-N 2 1 391.559 3.991 20 0 GHADMP CN(C)C(=O)C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000499150324 881305599 /nfs/dbraw/zinc/30/55/99/881305599.db2.gz WGHXJNFFBKRAIR-KIHHCIJBSA-N 2 1 391.559 3.991 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C(C)(C)C)c3O)CC2)CC1 ZINC000565372615 883165748 /nfs/dbraw/zinc/16/57/48/883165748.db2.gz LXOUHYCLRHCIHN-UHFFFAOYSA-N 2 1 387.568 3.825 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000858654912 883260695 /nfs/dbraw/zinc/26/06/95/883260695.db2.gz WKEFGZFKALKDNX-IFMALSPDSA-N 2 1 385.596 3.914 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000551086935 883262653 /nfs/dbraw/zinc/26/26/53/883262653.db2.gz GQURJNNSMPSCRY-SJLPKXTDSA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000551086935 883262675 /nfs/dbraw/zinc/26/26/75/883262675.db2.gz GQURJNNSMPSCRY-SJLPKXTDSA-N 2 1 379.426 3.904 20 0 GHADMP CC(=O)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183687135 883281349 /nfs/dbraw/zinc/28/13/49/883281349.db2.gz AQUWRSRJGCEIGX-OAHLLOKOSA-N 2 1 376.460 3.673 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213180 883665537 /nfs/dbraw/zinc/66/55/37/883665537.db2.gz UWANPFOHEVALOT-XLIONFOSSA-N 2 1 385.577 3.994 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)cc1 ZINC000859213435 883667637 /nfs/dbraw/zinc/66/76/37/883667637.db2.gz XEAPXZHVURPMLU-IBGZPJMESA-N 2 1 395.316 3.815 20 0 GHADMP Cc1cccc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000428716938 883816936 /nfs/dbraw/zinc/81/69/36/883816936.db2.gz JRPGHNZBJPKSSF-OAQYLSRUSA-N 2 1 393.575 3.905 20 0 GHADMP C[NH+](C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000194533213 883847602 /nfs/dbraw/zinc/84/76/02/883847602.db2.gz YARIAWUYWRPANV-OAQYLSRUSA-N 2 1 383.561 3.519 20 0 GHADMP CCCOc1cccc2c(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)ccnc12 ZINC000194733721 883914111 /nfs/dbraw/zinc/91/41/11/883914111.db2.gz HHZITBSKBHKTED-YOFSQIOKSA-N 2 1 394.563 3.771 20 0 GHADMP CCCOc1cccc2c(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)ccnc12 ZINC000194733721 883914121 /nfs/dbraw/zinc/91/41/21/883914121.db2.gz HHZITBSKBHKTED-YOFSQIOKSA-N 2 1 394.563 3.771 20 0 GHADMP Cc1ccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(F)c1F ZINC001211911931 883983307 /nfs/dbraw/zinc/98/33/07/883983307.db2.gz VKXPBXNUCGNTLC-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1ccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(F)c1F ZINC001211911931 883983316 /nfs/dbraw/zinc/98/33/16/883983316.db2.gz VKXPBXNUCGNTLC-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465448017 884054329 /nfs/dbraw/zinc/05/43/29/884054329.db2.gz KOWFEOXZJJZGRL-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1Cl ZINC000116816375 884230950 /nfs/dbraw/zinc/23/09/50/884230950.db2.gz LIPICQMGKRWXBY-LJQANCHMSA-N 2 1 375.900 3.522 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496749 884304240 /nfs/dbraw/zinc/30/42/40/884304240.db2.gz LHJPOVUPTZSTIG-WEMPKCCASA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496749 884304260 /nfs/dbraw/zinc/30/42/60/884304260.db2.gz LHJPOVUPTZSTIG-WEMPKCCASA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496749 884304277 /nfs/dbraw/zinc/30/42/77/884304277.db2.gz LHJPOVUPTZSTIG-WEMPKCCASA-N 2 1 379.589 3.971 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000806163803 884418773 /nfs/dbraw/zinc/41/87/73/884418773.db2.gz JOZAOWGRCXNBBE-XXBNENTESA-N 2 1 375.520 3.830 20 0 GHADMP C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495072092 884483684 /nfs/dbraw/zinc/48/36/84/884483684.db2.gz ZXAJDTOHXRUZMT-ISKFKSNPSA-N 2 1 399.623 3.769 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455873378 885063594 /nfs/dbraw/zinc/06/35/94/885063594.db2.gz ZNWPCYPNRQRYQS-NRFANRHFSA-N 2 1 384.524 3.814 20 0 GHADMP C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000498707583 885391317 /nfs/dbraw/zinc/39/13/17/885391317.db2.gz UQBMCNHYYBCOSV-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498707583 885391339 /nfs/dbraw/zinc/39/13/39/885391339.db2.gz UQBMCNHYYBCOSV-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498707583 885391360 /nfs/dbraw/zinc/39/13/60/885391360.db2.gz UQBMCNHYYBCOSV-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)N1CCC(C)CC1 ZINC000302985844 885411386 /nfs/dbraw/zinc/41/13/86/885411386.db2.gz QUOCYUCICCSRGQ-HBMCJLEFSA-N 2 1 385.596 3.901 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131129005 885567599 /nfs/dbraw/zinc/56/75/99/885567599.db2.gz WWNAKBUNHNOSSC-OAHLLOKOSA-N 2 1 386.353 3.657 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1ccc2ccccc2c1 ZINC000550722052 886021727 /nfs/dbraw/zinc/02/17/27/886021727.db2.gz ZOTUHWXQLWTXSJ-DEOSSOPVSA-N 2 1 390.527 3.834 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000131505374 886169495 /nfs/dbraw/zinc/16/94/95/886169495.db2.gz XLFMPYJLAUUEMS-YNIZLOQISA-N 2 1 382.589 3.614 20 0 GHADMP Cc1ccc([C@@H](OC[C@H](O)C[NH+]2CCC([NH2+]C(C)C)CC2)c2ccccc2)cc1 ZINC000118945227 886355337 /nfs/dbraw/zinc/35/53/37/886355337.db2.gz RIGPGJVUKFMKJJ-RPBOFIJWSA-N 2 1 396.575 3.924 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000116523488 886442435 /nfs/dbraw/zinc/44/24/35/886442435.db2.gz QVUQBADFUURSAQ-UXHICEINSA-N 2 1 386.584 3.776 20 0 GHADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000556885793 886454970 /nfs/dbraw/zinc/45/49/70/886454970.db2.gz IEBZORZGAGPPLB-UPZYVNNASA-N 2 1 387.568 3.505 20 0 GHADMP CC[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(Br)ccc1[O-] ZINC000155104013 886458030 /nfs/dbraw/zinc/45/80/30/886458030.db2.gz VTCBBSNPWVXFPH-INIZCTEOSA-N 2 1 378.314 3.971 20 0 GHADMP Fc1cccc2c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c[nH]c21 ZINC001137053092 886626358 /nfs/dbraw/zinc/62/63/58/886626358.db2.gz XVHXCMMSUVYMPV-UHFFFAOYSA-N 2 1 383.467 3.767 20 0 GHADMP Fc1cccc2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c[nH]c21 ZINC001137053092 886626370 /nfs/dbraw/zinc/62/63/70/886626370.db2.gz XVHXCMMSUVYMPV-UHFFFAOYSA-N 2 1 383.467 3.767 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(OC)cc3)C2)cc1)C(C)C ZINC001170559080 886655143 /nfs/dbraw/zinc/65/51/43/886655143.db2.gz QIAIBSHCNVRNDW-HSZRJFAPSA-N 2 1 395.547 3.712 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(OC)cc3)C2)cc1)C(C)C ZINC001170559080 886655152 /nfs/dbraw/zinc/65/51/52/886655152.db2.gz QIAIBSHCNVRNDW-HSZRJFAPSA-N 2 1 395.547 3.712 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000537616607 886660921 /nfs/dbraw/zinc/66/09/21/886660921.db2.gz QLRUKKSOSRVGQL-QHCPKHFHSA-N 3 1 384.612 3.669 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000537616607 886660929 /nfs/dbraw/zinc/66/09/29/886660929.db2.gz QLRUKKSOSRVGQL-QHCPKHFHSA-N 3 1 384.612 3.669 20 0 GHADMP CC(C)[C@@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)n1 ZINC000863656764 887266846 /nfs/dbraw/zinc/26/68/46/887266846.db2.gz NORBLPGGQCLGSA-XUVXKRRUSA-N 2 1 377.492 3.504 20 0 GHADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000794563787 887390126 /nfs/dbraw/zinc/39/01/26/887390126.db2.gz XDQHJGIKFCOGPZ-UHFFFAOYSA-N 2 1 386.971 3.879 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000809610989 887582661 /nfs/dbraw/zinc/58/26/61/887582661.db2.gz MPMMRCNFLHMLTD-KLAILNCOSA-N 2 1 379.570 3.605 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000809610989 887582671 /nfs/dbraw/zinc/58/26/71/887582671.db2.gz MPMMRCNFLHMLTD-KLAILNCOSA-N 2 1 379.570 3.605 20 0 GHADMP C[NH+](C)[C@H](CNc1cc(N2CCOCC2)cc[nH+]1)c1ccc(Cl)cc1Cl ZINC001170584481 887644419 /nfs/dbraw/zinc/64/44/19/887644419.db2.gz ARLDXTSMCIMPKP-GOSISDBHSA-N 2 1 395.334 3.940 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1Cl ZINC000193850083 887786390 /nfs/dbraw/zinc/78/63/90/887786390.db2.gz BCUXUTYLSZGCNH-SFHVURJKSA-N 2 1 380.964 3.505 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(F)nc3C)CC2)c1C ZINC000809766332 887806857 /nfs/dbraw/zinc/80/68/57/887806857.db2.gz XHIFWIJBTLEOJI-UHFFFAOYSA-N 2 1 386.515 3.646 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(F)nc3C)CC2)c1C ZINC000809766332 887806868 /nfs/dbraw/zinc/80/68/68/887806868.db2.gz XHIFWIJBTLEOJI-UHFFFAOYSA-N 2 1 386.515 3.646 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000809963038 888004469 /nfs/dbraw/zinc/00/44/69/888004469.db2.gz JDKSYJNWROVVEH-UAFMIMERSA-N 2 1 381.605 3.980 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000809963038 888004484 /nfs/dbraw/zinc/00/44/84/888004484.db2.gz JDKSYJNWROVVEH-UAFMIMERSA-N 2 1 381.605 3.980 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000809963038 888004499 /nfs/dbraw/zinc/00/44/99/888004499.db2.gz JDKSYJNWROVVEH-UAFMIMERSA-N 2 1 381.605 3.980 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810085262 888140735 /nfs/dbraw/zinc/14/07/35/888140735.db2.gz PGCUOVAPVAULJA-UXHICEINSA-N 2 1 379.589 3.830 20 0 GHADMP CCCCCC[C@H](CC)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001170597345 888174107 /nfs/dbraw/zinc/17/41/07/888174107.db2.gz ASMYCTUMRHYCBN-FQEVSTJZSA-N 2 1 391.604 3.845 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000810375284 888469341 /nfs/dbraw/zinc/46/93/41/888469341.db2.gz BRNMKCXCDZZCSF-XKGZKEIXSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000810375284 888469348 /nfs/dbraw/zinc/46/93/48/888469348.db2.gz BRNMKCXCDZZCSF-XKGZKEIXSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000810375284 888469355 /nfs/dbraw/zinc/46/93/55/888469355.db2.gz BRNMKCXCDZZCSF-XKGZKEIXSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000810375284 888469363 /nfs/dbraw/zinc/46/93/63/888469363.db2.gz BRNMKCXCDZZCSF-XKGZKEIXSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810413197 888478886 /nfs/dbraw/zinc/47/88/86/888478886.db2.gz QXFSNTWZMJPBTP-VGSWGCGISA-N 2 1 375.532 3.541 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000459382943 888749074 /nfs/dbraw/zinc/74/90/74/888749074.db2.gz TYLWRZZZQBXMMJ-FQEVSTJZSA-N 2 1 379.548 3.666 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000509670295 888788607 /nfs/dbraw/zinc/78/86/07/888788607.db2.gz ITLXHMAXBDZXIS-HMMYKYKNSA-N 2 1 380.532 3.858 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCCC[NH+](C)C2CC2)cc1 ZINC000454307727 888810670 /nfs/dbraw/zinc/81/06/70/888810670.db2.gz IPKIWHBUFREVRT-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000454307727 888810680 /nfs/dbraw/zinc/81/06/80/888810680.db2.gz IPKIWHBUFREVRT-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000454307727 888810690 /nfs/dbraw/zinc/81/06/90/888810690.db2.gz IPKIWHBUFREVRT-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000867986794 889248176 /nfs/dbraw/zinc/24/81/76/889248176.db2.gz DVGPZORUWAUSKQ-OAHLLOKOSA-N 2 1 392.322 3.553 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000454551988 889267073 /nfs/dbraw/zinc/26/70/73/889267073.db2.gz PXPDNSMOSIPXTP-UHFFFAOYSA-N 2 1 377.577 3.514 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1C(F)(F)F ZINC001168515278 889521483 /nfs/dbraw/zinc/52/14/83/889521483.db2.gz RERFMXKSZFFOHM-GDBMZVCRSA-N 2 1 391.478 3.533 20 0 GHADMP CC(C)C[C@@H](C[NH2+]CC1([NH+]2CCCCC2)CCOCC1)NC(=O)OC(C)(C)C ZINC000811486657 889637778 /nfs/dbraw/zinc/63/77/78/889637778.db2.gz MBHSXURSNVIHOC-IBGZPJMESA-N 2 1 397.604 3.551 20 0 GHADMP Cc1ccc(CN(C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000533410752 890483347 /nfs/dbraw/zinc/48/33/47/890483347.db2.gz AQJBVXYWVKCZIP-UHFFFAOYSA-N 2 1 385.577 3.531 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC1)C2 ZINC001168267639 890559675 /nfs/dbraw/zinc/55/96/75/890559675.db2.gz NEDAEXMYJPOJRZ-OAQYLSRUSA-N 2 1 395.547 3.898 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC1)C2 ZINC001168267639 890559684 /nfs/dbraw/zinc/55/96/84/890559684.db2.gz NEDAEXMYJPOJRZ-OAQYLSRUSA-N 2 1 395.547 3.898 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000812721150 890898021 /nfs/dbraw/zinc/89/80/21/890898021.db2.gz KYBLPRLNWVKGGZ-QUCCMNQESA-N 2 1 397.604 3.501 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000066568510 890990617 /nfs/dbraw/zinc/99/06/17/890990617.db2.gz QPLKLENGAFLDPH-UHFFFAOYSA-N 2 1 379.548 3.606 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000455460539 891016413 /nfs/dbraw/zinc/01/64/13/891016413.db2.gz UTGBUTNBXKLDPI-RAFMOHDBSA-N 2 1 392.975 3.647 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000455460539 891016428 /nfs/dbraw/zinc/01/64/28/891016428.db2.gz UTGBUTNBXKLDPI-RAFMOHDBSA-N 2 1 392.975 3.647 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000455460539 891016443 /nfs/dbraw/zinc/01/64/43/891016443.db2.gz UTGBUTNBXKLDPI-RAFMOHDBSA-N 2 1 392.975 3.647 20 0 GHADMP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nc(C2CC2)n(C2CC2)c1=S ZINC000872746125 891322242 /nfs/dbraw/zinc/32/22/42/891322242.db2.gz QBUWXKQTLCZRFR-UHFFFAOYSA-N 2 1 377.602 3.884 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(C2CC2)n(C2CC2)c1=S ZINC000872746125 891322252 /nfs/dbraw/zinc/32/22/52/891322252.db2.gz QBUWXKQTLCZRFR-UHFFFAOYSA-N 2 1 377.602 3.884 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000128088837 891407680 /nfs/dbraw/zinc/40/76/80/891407680.db2.gz ZKJCDRWGYFJMCZ-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399000 891495540 /nfs/dbraw/zinc/49/55/40/891495540.db2.gz KZAYHBCXXAMZHA-DHIUTWEWSA-N 2 1 379.548 3.745 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399000 891495545 /nfs/dbraw/zinc/49/55/45/891495545.db2.gz KZAYHBCXXAMZHA-DHIUTWEWSA-N 2 1 379.548 3.745 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399000 891495551 /nfs/dbraw/zinc/49/55/51/891495551.db2.gz KZAYHBCXXAMZHA-DHIUTWEWSA-N 2 1 379.548 3.745 20 0 GHADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000497522815 891820127 /nfs/dbraw/zinc/82/01/27/891820127.db2.gz NSWVXAIDMKBCNR-OKZBNKHCSA-N 2 1 376.541 3.506 20 0 GHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000128409683 891864380 /nfs/dbraw/zinc/86/43/80/891864380.db2.gz PKXDDYFHBIJOGU-HOTGVXAUSA-N 2 1 388.383 3.766 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000128555176 892115990 /nfs/dbraw/zinc/11/59/90/892115990.db2.gz VIWIDQICZCQBOB-QGZVFWFLSA-N 2 1 386.367 3.824 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCCC1)c1ccccc1 ZINC000497688231 892203365 /nfs/dbraw/zinc/20/33/65/892203365.db2.gz SDKPAXAEUWENPB-ILWGZMRPSA-N 2 1 398.595 3.776 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262047165 892204700 /nfs/dbraw/zinc/20/47/00/892204700.db2.gz PXBZDWFWZVCCRA-XMMPIXPASA-N 2 1 388.515 3.733 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262047165 892204718 /nfs/dbraw/zinc/20/47/18/892204718.db2.gz PXBZDWFWZVCCRA-XMMPIXPASA-N 2 1 388.515 3.733 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000874832802 892344009 /nfs/dbraw/zinc/34/40/09/892344009.db2.gz HEMUHOFWHJTDGC-PKTZIBPZSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874832802 892344014 /nfs/dbraw/zinc/34/40/14/892344014.db2.gz HEMUHOFWHJTDGC-PKTZIBPZSA-N 2 1 377.532 3.627 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000874832802 892344018 /nfs/dbraw/zinc/34/40/18/892344018.db2.gz HEMUHOFWHJTDGC-PKTZIBPZSA-N 2 1 377.532 3.627 20 0 GHADMP C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700456 892669693 /nfs/dbraw/zinc/66/96/93/892669693.db2.gz UJGQIARTOWWKDN-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708255 892774377 /nfs/dbraw/zinc/77/43/77/892774377.db2.gz ARYLBDWTIXQMBP-URXFXBBRSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508708255 892774389 /nfs/dbraw/zinc/77/43/89/892774389.db2.gz ARYLBDWTIXQMBP-URXFXBBRSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708255 892774400 /nfs/dbraw/zinc/77/44/00/892774400.db2.gz ARYLBDWTIXQMBP-URXFXBBRSA-N 2 1 392.591 3.757 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711306 892819389 /nfs/dbraw/zinc/81/93/89/892819389.db2.gz OTOZLQSQLBPKTG-DVKRWUGUSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711306 892819406 /nfs/dbraw/zinc/81/94/06/892819406.db2.gz OTOZLQSQLBPKTG-DVKRWUGUSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711306 892819419 /nfs/dbraw/zinc/81/94/19/892819419.db2.gz OTOZLQSQLBPKTG-DVKRWUGUSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711306 892819435 /nfs/dbraw/zinc/81/94/35/892819435.db2.gz OTOZLQSQLBPKTG-DVKRWUGUSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711306 892819450 /nfs/dbraw/zinc/81/94/50/892819450.db2.gz OTOZLQSQLBPKTG-DVKRWUGUSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711306 892819466 /nfs/dbraw/zinc/81/94/66/892819466.db2.gz OTOZLQSQLBPKTG-DVKRWUGUSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711306 892819483 /nfs/dbraw/zinc/81/94/83/892819483.db2.gz OTOZLQSQLBPKTG-DVKRWUGUSA-N 3 1 387.612 3.624 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678658 893060730 /nfs/dbraw/zinc/06/07/30/893060730.db2.gz WYSYOWPLOCUUQH-KDURUIRLSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678658 893060745 /nfs/dbraw/zinc/06/07/45/893060745.db2.gz WYSYOWPLOCUUQH-KDURUIRLSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000162758453 893145504 /nfs/dbraw/zinc/14/55/04/893145504.db2.gz DCMPAQRPXQQMDG-QFBILLFUSA-N 2 1 380.458 3.920 20 0 GHADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000162758453 893145511 /nfs/dbraw/zinc/14/55/11/893145511.db2.gz DCMPAQRPXQQMDG-QFBILLFUSA-N 2 1 380.458 3.920 20 0 GHADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498075467 893155512 /nfs/dbraw/zinc/15/55/12/893155512.db2.gz ZNZYVGLNEHBEMA-SZMVWBNQSA-N 2 1 385.474 3.578 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CCCCC1 ZINC000918120095 893195800 /nfs/dbraw/zinc/19/58/00/893195800.db2.gz CAOUJTPWWDEQPD-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000129274178 893214312 /nfs/dbraw/zinc/21/43/12/893214312.db2.gz BLUDSVBWULTBBV-SFHVURJKSA-N 2 1 397.567 3.514 20 0 GHADMP CCO[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@]12CCCO2 ZINC000876866587 893367007 /nfs/dbraw/zinc/36/70/07/893367007.db2.gz ISGATQVMXOSPMC-DNVJHFABSA-N 2 1 387.568 3.603 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000563115939 893369244 /nfs/dbraw/zinc/36/92/44/893369244.db2.gz ULVLSMFWMYFNIB-WWNPGLIZSA-N 2 1 397.538 3.546 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)CC[C@@H]21 ZINC000876929874 893393214 /nfs/dbraw/zinc/39/32/14/893393214.db2.gz OJCLGTHMIBGTMP-MLYOOKFZSA-N 2 1 377.573 3.629 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)[C@@H](C)C1 ZINC000459405565 893438039 /nfs/dbraw/zinc/43/80/39/893438039.db2.gz BISLBMGSUXJPNT-MAUKXSAKSA-N 2 1 384.948 3.671 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)[C@@H](C)C1 ZINC000459405565 893438050 /nfs/dbraw/zinc/43/80/50/893438050.db2.gz BISLBMGSUXJPNT-MAUKXSAKSA-N 2 1 384.948 3.671 20 0 GHADMP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000815126943 893459879 /nfs/dbraw/zinc/45/98/79/893459879.db2.gz TUZVBGHNICTSHP-ROUUACIJSA-N 2 1 393.369 3.539 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc(Br)c1O ZINC000459429743 893514578 /nfs/dbraw/zinc/51/45/78/893514578.db2.gz PHJBQGNSPJIZCQ-AWEZNQCLSA-N 2 1 385.346 3.763 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc(Br)c1O ZINC000459429743 893514596 /nfs/dbraw/zinc/51/45/96/893514596.db2.gz PHJBQGNSPJIZCQ-AWEZNQCLSA-N 2 1 385.346 3.763 20 0 GHADMP CCCc1ccccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000934282066 893523268 /nfs/dbraw/zinc/52/32/68/893523268.db2.gz LZZWOXCBXBMMRO-UHFFFAOYSA-N 2 1 385.596 3.907 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459442856 893532196 /nfs/dbraw/zinc/53/21/96/893532196.db2.gz PUJLYKPQKFXZLH-GZOXUSKESA-N 3 1 378.564 3.797 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459442856 893532210 /nfs/dbraw/zinc/53/22/10/893532210.db2.gz PUJLYKPQKFXZLH-GZOXUSKESA-N 2 1 378.564 3.797 20 0 GHADMP O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000877405212 893593761 /nfs/dbraw/zinc/59/37/61/893593761.db2.gz FIKPTXHWEYNZOP-PZJWPPBQSA-N 2 1 398.595 3.922 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCCC34CCCC4)c2)C1 ZINC000556077724 893649146 /nfs/dbraw/zinc/64/91/46/893649146.db2.gz ZTIAOQNJLNNERB-YADHBBJMSA-N 2 1 383.580 3.977 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000563375322 893680502 /nfs/dbraw/zinc/68/05/02/893680502.db2.gz UXCWGRVKDLVVMH-UHFFFAOYSA-N 2 1 383.561 3.592 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1)CC1CC1 ZINC000536736203 893695924 /nfs/dbraw/zinc/69/59/24/893695924.db2.gz CYVBMWDILZZURV-INIZCTEOSA-N 2 1 392.613 3.921 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1)CC1CC1 ZINC000536736203 893695931 /nfs/dbraw/zinc/69/59/31/893695931.db2.gz CYVBMWDILZZURV-INIZCTEOSA-N 2 1 392.613 3.921 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1)CC1CC1 ZINC000536737696 893699444 /nfs/dbraw/zinc/69/94/44/893699444.db2.gz QYHMXWLTPLRXDE-MRXNPFEDSA-N 2 1 392.975 3.896 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1)CC1CC1 ZINC000536737696 893699453 /nfs/dbraw/zinc/69/94/53/893699453.db2.gz QYHMXWLTPLRXDE-MRXNPFEDSA-N 2 1 392.975 3.896 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645524 893741407 /nfs/dbraw/zinc/74/14/07/893741407.db2.gz NZLCCTMBUZKHLF-LJQANCHMSA-N 2 1 390.478 3.908 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645524 893741412 /nfs/dbraw/zinc/74/14/12/893741412.db2.gz NZLCCTMBUZKHLF-LJQANCHMSA-N 2 1 390.478 3.908 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645524 893741423 /nfs/dbraw/zinc/74/14/23/893741423.db2.gz NZLCCTMBUZKHLF-LJQANCHMSA-N 2 1 390.478 3.908 20 0 GHADMP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000129672067 893793303 /nfs/dbraw/zinc/79/33/03/893793303.db2.gz YHMZUSWZVISYRS-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP COCCOc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000069833388 893925414 /nfs/dbraw/zinc/92/54/14/893925414.db2.gz UOLGEDGJTGUQCE-BGYRXZFFSA-N 2 1 398.547 3.611 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccncc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000536829893 893940344 /nfs/dbraw/zinc/94/03/44/893940344.db2.gz AGUGXDIAGWZASZ-XUZZJYLKSA-N 2 1 392.591 3.936 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878020185 893952640 /nfs/dbraw/zinc/95/26/40/893952640.db2.gz IGXBMOZEMYGBOS-CBJLPSGESA-N 2 1 385.596 3.787 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878020185 893952653 /nfs/dbraw/zinc/95/26/53/893952653.db2.gz IGXBMOZEMYGBOS-CBJLPSGESA-N 2 1 385.596 3.787 20 0 GHADMP C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459693061 894081442 /nfs/dbraw/zinc/08/14/42/894081442.db2.gz KJVBMCFBAQVYCC-YYKUARIBSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459693061 894081458 /nfs/dbraw/zinc/08/14/58/894081458.db2.gz KJVBMCFBAQVYCC-YYKUARIBSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459693061 894081474 /nfs/dbraw/zinc/08/14/74/894081474.db2.gz KJVBMCFBAQVYCC-YYKUARIBSA-N 2 1 386.561 3.821 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196629 894084848 /nfs/dbraw/zinc/08/48/48/894084848.db2.gz HHPFNJDDUZGJSZ-VJBWXMMDSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196629 894084867 /nfs/dbraw/zinc/08/48/67/894084867.db2.gz HHPFNJDDUZGJSZ-VJBWXMMDSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@@H]32)cc1 ZINC000878196629 894084886 /nfs/dbraw/zinc/08/48/86/894084886.db2.gz HHPFNJDDUZGJSZ-VJBWXMMDSA-N 2 1 384.564 3.701 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1)CC(C)C ZINC000536980250 894192728 /nfs/dbraw/zinc/19/27/28/894192728.db2.gz ZLGNAMPLSRLJLZ-FQEVSTJZSA-N 2 1 392.588 3.672 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1)CC(C)C ZINC000536980250 894192733 /nfs/dbraw/zinc/19/27/33/894192733.db2.gz ZLGNAMPLSRLJLZ-FQEVSTJZSA-N 2 1 392.588 3.672 20 0 GHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049294 894267401 /nfs/dbraw/zinc/26/74/01/894267401.db2.gz APUCWSPPXXSERG-TZIWHRDSSA-N 2 1 387.568 3.603 20 0 GHADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049294 894267407 /nfs/dbraw/zinc/26/74/07/894267407.db2.gz APUCWSPPXXSERG-TZIWHRDSSA-N 2 1 387.568 3.603 20 0 GHADMP CC[NH+](CC)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001135319212 894359586 /nfs/dbraw/zinc/35/95/86/894359586.db2.gz LHFPYHXLRBVIMF-NHCUHLMSSA-N 2 1 399.604 3.812 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892390 894703090 /nfs/dbraw/zinc/70/30/90/894703090.db2.gz VQCGJLSDOZXFBK-LSDVVMKASA-N 2 1 396.575 3.557 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892390 894703101 /nfs/dbraw/zinc/70/31/01/894703101.db2.gz VQCGJLSDOZXFBK-LSDVVMKASA-N 2 1 396.575 3.557 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2C[C@H]2CCC3(CCOCC3)O2)cc1 ZINC000878892390 894703114 /nfs/dbraw/zinc/70/31/14/894703114.db2.gz VQCGJLSDOZXFBK-LSDVVMKASA-N 2 1 396.575 3.557 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293413 894828662 /nfs/dbraw/zinc/82/86/62/894828662.db2.gz LBBBHGDCEDQHPY-LJQANCHMSA-N 2 1 385.577 3.712 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293413 894828674 /nfs/dbraw/zinc/82/86/74/894828674.db2.gz LBBBHGDCEDQHPY-LJQANCHMSA-N 2 1 385.577 3.712 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293413 894828704 /nfs/dbraw/zinc/82/87/04/894828704.db2.gz LBBBHGDCEDQHPY-LJQANCHMSA-N 2 1 385.577 3.712 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC001137142395 894912888 /nfs/dbraw/zinc/91/28/88/894912888.db2.gz FKYMYBMMRPVBOG-BJKOFHAPSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[NH+]1CCCCCC1 ZINC001135642821 894970599 /nfs/dbraw/zinc/97/05/99/894970599.db2.gz NCCRJCKPLTYRQM-FQEVSTJZSA-N 2 1 379.548 3.749 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1OC ZINC000564451706 894999060 /nfs/dbraw/zinc/99/90/60/894999060.db2.gz YVPPHPGDYHBROM-HXUWFJFHSA-N 2 1 394.515 3.769 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1OC ZINC000564451706 894999066 /nfs/dbraw/zinc/99/90/66/894999066.db2.gz YVPPHPGDYHBROM-HXUWFJFHSA-N 2 1 394.515 3.769 20 0 GHADMP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH]nc21 ZINC001137146257 895266088 /nfs/dbraw/zinc/26/60/88/895266088.db2.gz DVTQAJRWEXEHQK-HARLFGEKSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH]nc21 ZINC001137146257 895266098 /nfs/dbraw/zinc/26/60/98/895266098.db2.gz DVTQAJRWEXEHQK-HARLFGEKSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)[nH]nc21 ZINC001137146257 895266104 /nfs/dbraw/zinc/26/61/04/895266104.db2.gz DVTQAJRWEXEHQK-HARLFGEKSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[N@@H+]3C[C@@H]4CCC[C@H]([NH+](C)Cc5ccccn5)[C@H]4C3)[nH]nc21 ZINC001137146257 895266139 /nfs/dbraw/zinc/26/61/39/895266139.db2.gz DVTQAJRWEXEHQK-HARLFGEKSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319510 895530584 /nfs/dbraw/zinc/53/05/84/895530584.db2.gz VFCBQBCERBLDIA-DSITVLBTSA-N 2 1 393.575 3.793 20 0 GHADMP Cc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)N2CCOCC2)c1 ZINC000565319510 895530591 /nfs/dbraw/zinc/53/05/91/895530591.db2.gz VFCBQBCERBLDIA-DSITVLBTSA-N 2 1 393.575 3.793 20 0 GHADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817892878 895951456 /nfs/dbraw/zinc/95/14/56/895951456.db2.gz WHRKYTBXPUVOOR-IEBWSBKVSA-N 2 1 391.284 3.934 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170902267 896160364 /nfs/dbraw/zinc/16/03/64/896160364.db2.gz QCZMGDFXLGHYIJ-INIZCTEOSA-N 2 1 393.959 3.515 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1Oc1ccccc1 ZINC000566241896 896195267 /nfs/dbraw/zinc/19/52/67/896195267.db2.gz DGTGZIKEUDXQNR-KDURUIRLSA-N 2 1 379.504 3.739 20 0 GHADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000818962926 896268569 /nfs/dbraw/zinc/26/85/69/896268569.db2.gz AZBNSYGVJHDGQZ-CPUCHLNUSA-N 2 1 387.749 3.526 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3cc(C)cc(C)c3)CC2)cs1 ZINC000819049427 896340593 /nfs/dbraw/zinc/34/05/93/896340593.db2.gz JNFPKMDYEFGNFN-OAQYLSRUSA-N 2 1 387.593 3.858 20 0 GHADMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001136199961 896508066 /nfs/dbraw/zinc/50/80/66/896508066.db2.gz NMJDRUCNOMUDNW-RPWUZVMVSA-N 2 1 391.559 3.604 20 0 GHADMP COCc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000566726668 896528354 /nfs/dbraw/zinc/52/83/54/896528354.db2.gz PLGRDVNFEDSMHS-XMMPIXPASA-N 2 1 394.559 3.851 20 0 GHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000566824344 896602644 /nfs/dbraw/zinc/60/26/44/896602644.db2.gz RKTVSVGNDPGBCB-UHFFFAOYSA-N 2 1 397.611 3.888 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000566824344 896602655 /nfs/dbraw/zinc/60/26/55/896602655.db2.gz RKTVSVGNDPGBCB-UHFFFAOYSA-N 3 1 397.611 3.888 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000566824344 896602659 /nfs/dbraw/zinc/60/26/59/896602659.db2.gz RKTVSVGNDPGBCB-UHFFFAOYSA-N 3 1 397.611 3.888 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566913441 896691055 /nfs/dbraw/zinc/69/10/55/896691055.db2.gz WUOWGVIJQXBSTC-GMAHTHKFSA-N 2 1 379.548 3.837 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(-n4cccc4)c3)CC2)CC1 ZINC000567121918 896892325 /nfs/dbraw/zinc/89/23/25/896892325.db2.gz VNFZXEYVFTTWAP-UHFFFAOYSA-N 2 1 380.536 3.612 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000289303455 914134577 /nfs/dbraw/zinc/13/45/77/914134577.db2.gz RFIDJUBGYURNED-MRXNPFEDSA-N 2 1 387.549 3.710 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000289303455 914134589 /nfs/dbraw/zinc/13/45/89/914134589.db2.gz RFIDJUBGYURNED-MRXNPFEDSA-N 2 1 387.549 3.710 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000289303454 914134770 /nfs/dbraw/zinc/13/47/70/914134770.db2.gz RFIDJUBGYURNED-INIZCTEOSA-N 2 1 387.549 3.710 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000289303454 914134774 /nfs/dbraw/zinc/13/47/74/914134774.db2.gz RFIDJUBGYURNED-INIZCTEOSA-N 2 1 387.549 3.710 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2c3c(nn2C)CCSC3)C[N@H+]1Cc1ccccc1 ZINC000883074873 897255454 /nfs/dbraw/zinc/25/54/54/897255454.db2.gz LRUNRSCEGBZXDA-HKUYNNGSSA-N 2 1 384.593 3.600 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000130968617 897276584 /nfs/dbraw/zinc/27/65/84/897276584.db2.gz JERWUDGJJNOFKG-OYHNWAKOSA-N 2 1 381.476 3.582 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001136335392 897302542 /nfs/dbraw/zinc/30/25/42/897302542.db2.gz XSSPFEVKTZAZGI-FXAWDEMLSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001136335392 897302550 /nfs/dbraw/zinc/30/25/50/897302550.db2.gz XSSPFEVKTZAZGI-FXAWDEMLSA-N 2 1 377.960 3.543 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC23CC3)cc1 ZINC000883254181 897406894 /nfs/dbraw/zinc/40/68/94/897406894.db2.gz MGUQVLPVWCTRIU-VXKWHMMOSA-N 2 1 384.564 3.749 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)CC23CC3)cc1 ZINC000883254181 897406908 /nfs/dbraw/zinc/40/69/08/897406908.db2.gz MGUQVLPVWCTRIU-VXKWHMMOSA-N 2 1 384.564 3.749 20 0 GHADMP CSCC[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1nnc2ccccn21 ZINC000820805880 897535226 /nfs/dbraw/zinc/53/52/26/897535226.db2.gz TVJNMPQNWINFMB-VQIMIIECSA-N 2 1 383.565 3.936 20 0 GHADMP NC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000820806974 897536819 /nfs/dbraw/zinc/53/68/19/897536819.db2.gz WJNSKZZKGIIJAE-FRIKZZABSA-N 2 1 378.520 3.853 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000568291194 897718116 /nfs/dbraw/zinc/71/81/16/897718116.db2.gz BYIPOYLYZHICDA-GZOXUSKESA-N 2 1 393.575 3.677 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000132345787 897760293 /nfs/dbraw/zinc/76/02/93/897760293.db2.gz NBVFFLWYPYEEFQ-BWKNWUBXSA-N 2 1 393.575 3.530 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCSc1ccc(Cl)cc1 ZINC001136541378 898212037 /nfs/dbraw/zinc/21/20/37/898212037.db2.gz ZCATVGZSTLXISD-GOSISDBHSA-N 2 1 398.016 3.697 20 0 GHADMP OCC1([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)CC=CC1 ZINC000646083472 914239428 /nfs/dbraw/zinc/23/94/28/914239428.db2.gz YJEIZDSTKBTFSI-DEOSSOPVSA-N 2 1 392.543 3.678 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000569101380 898341225 /nfs/dbraw/zinc/34/12/25/898341225.db2.gz NJDTUGSBFFLOKL-GCJKJVERSA-N 2 1 380.536 3.512 20 0 GHADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000569221993 898443281 /nfs/dbraw/zinc/44/32/81/898443281.db2.gz LNMASPSSWTXFEK-RZUBCFFCSA-N 2 1 383.580 3.579 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000569236774 898455362 /nfs/dbraw/zinc/45/53/62/898455362.db2.gz CBRCPMKSQGWIIC-ZWDXQAFOSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)[NH+](C)C1CC1 ZINC001136598142 898480050 /nfs/dbraw/zinc/48/00/50/898480050.db2.gz VIMNKAZOVFEMRV-IOMROCGXSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1)[N@H+](C)C1CC1 ZINC001136598142 898480056 /nfs/dbraw/zinc/48/00/56/898480056.db2.gz VIMNKAZOVFEMRV-IOMROCGXSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1)[N@@H+](C)C1CC1 ZINC001136598142 898480059 /nfs/dbraw/zinc/48/00/59/898480059.db2.gz VIMNKAZOVFEMRV-IOMROCGXSA-N 2 1 397.588 3.563 20 0 GHADMP C[C@H]([NH3+])CCc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000822956299 898754846 /nfs/dbraw/zinc/75/48/46/898754846.db2.gz IQOPARLERMOJER-KRWDZBQOSA-N 2 1 392.503 3.516 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000111814092 898832313 /nfs/dbraw/zinc/83/23/13/898832313.db2.gz JYIFBVRVTMTROW-IBGZPJMESA-N 2 1 386.584 3.591 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000569694034 898890817 /nfs/dbraw/zinc/89/08/17/898890817.db2.gz GWJZDQOFNYNRIO-AVRDEDQJSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000569876404 899001196 /nfs/dbraw/zinc/00/11/96/899001196.db2.gz VWUCQDFPXFYUSI-FQEVSTJZSA-N 2 1 379.548 3.527 20 0 GHADMP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570088942 899118068 /nfs/dbraw/zinc/11/80/68/899118068.db2.gz SGSBNHPQXPIFTG-SSGKUCQKSA-N 2 1 378.601 3.939 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000570159827 899165000 /nfs/dbraw/zinc/16/50/00/899165000.db2.gz PTCARBCMPDMVQP-NTKDMRAZSA-N 2 1 377.532 3.835 20 0 GHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823850439 899278192 /nfs/dbraw/zinc/27/81/92/899278192.db2.gz CRAIUXRPHBNOOT-WMLDXEAASA-N 2 1 387.351 3.994 20 0 GHADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1CCCCC1 ZINC001136803622 899336456 /nfs/dbraw/zinc/33/64/56/899336456.db2.gz GZGPSPNBTOMEJL-GOSISDBHSA-N 2 1 397.485 3.660 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289787178 914346792 /nfs/dbraw/zinc/34/67/92/914346792.db2.gz RQYQDDJVHQAVDW-FKVLARQCSA-N 2 1 382.552 3.623 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H]1c1ccccc1 ZINC000570717933 899529963 /nfs/dbraw/zinc/52/99/63/899529963.db2.gz IASPGVZBGXJMCK-KMDXXIMOSA-N 2 1 376.544 3.939 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H]1c1ccccc1 ZINC000570717933 899529970 /nfs/dbraw/zinc/52/99/70/899529970.db2.gz IASPGVZBGXJMCK-KMDXXIMOSA-N 2 1 376.544 3.939 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3c(Cl)nccc3NC(=O)OC(C)(C)C)C2)CC1 ZINC001136899234 899693396 /nfs/dbraw/zinc/69/33/96/899693396.db2.gz QMSVCZGRGKHYJQ-UHFFFAOYSA-N 2 1 394.947 4.000 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(Cl)nccc3NC(=O)OC(C)(C)C)C2)CC1 ZINC001136899234 899693402 /nfs/dbraw/zinc/69/34/02/899693402.db2.gz QMSVCZGRGKHYJQ-UHFFFAOYSA-N 2 1 394.947 4.000 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000571047621 899721222 /nfs/dbraw/zinc/72/12/22/899721222.db2.gz FLSCAWQLQNHPLN-QGZVFWFLSA-N 2 1 385.474 3.502 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000646297054 914387629 /nfs/dbraw/zinc/38/76/29/914387629.db2.gz GCANFTDXJQRWTN-RBQRDFNRSA-N 2 1 393.522 3.631 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000646297054 914387640 /nfs/dbraw/zinc/38/76/40/914387640.db2.gz GCANFTDXJQRWTN-RBQRDFNRSA-N 2 1 393.522 3.631 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136936814 899813107 /nfs/dbraw/zinc/81/31/07/899813107.db2.gz LDYDSLHGYVOIQB-UGKGYDQZSA-N 2 1 394.506 3.511 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136936814 899813113 /nfs/dbraw/zinc/81/31/13/899813113.db2.gz LDYDSLHGYVOIQB-UGKGYDQZSA-N 2 1 394.506 3.511 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136936814 899813118 /nfs/dbraw/zinc/81/31/18/899813118.db2.gz LDYDSLHGYVOIQB-UGKGYDQZSA-N 2 1 394.506 3.511 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136936814 899813127 /nfs/dbraw/zinc/81/31/27/899813127.db2.gz LDYDSLHGYVOIQB-UGKGYDQZSA-N 2 1 394.506 3.511 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)C1 ZINC001136969759 899920546 /nfs/dbraw/zinc/92/05/46/899920546.db2.gz ASMVZTXQRFSFBI-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4cc(C)ccc34)CC2)C1 ZINC001136969759 899920560 /nfs/dbraw/zinc/92/05/60/899920560.db2.gz ASMVZTXQRFSFBI-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP C[C@H](c1ccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000572281960 900125968 /nfs/dbraw/zinc/12/59/68/900125968.db2.gz XXUCJLHKPGMKCC-DYESRHJHSA-N 2 1 381.520 3.745 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(OC)nc2)CC3)c1 ZINC001137036193 900137906 /nfs/dbraw/zinc/13/79/06/900137906.db2.gz WQPAEZIWIPRBBB-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP CC[C@@H](c1ccncc1)N(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572376016 900163108 /nfs/dbraw/zinc/16/31/08/900163108.db2.gz AOEGFQRSHOCNSM-QFIPXVFZSA-N 2 1 386.584 3.578 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCOC3(CCOCC3)C2)C1 ZINC000885923668 900639496 /nfs/dbraw/zinc/63/94/96/900639496.db2.gz AEDVZLJWFKGJAT-MZKRTTBSSA-N 2 1 386.580 3.982 20 0 GHADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000885967235 900657605 /nfs/dbraw/zinc/65/76/05/900657605.db2.gz KOQDZOIERLGDPX-IFMALSPDSA-N 2 1 390.568 3.614 20 0 GHADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000573847100 900662523 /nfs/dbraw/zinc/66/25/23/900662523.db2.gz AMIKRQULXYFBTO-QHCPKHFHSA-N 2 1 381.564 3.595 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399742 900796178 /nfs/dbraw/zinc/79/61/78/900796178.db2.gz GDQNXWATPNHOMJ-IEBWSBKVSA-N 2 1 378.561 3.987 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399742 900796185 /nfs/dbraw/zinc/79/61/85/900796185.db2.gz GDQNXWATPNHOMJ-IEBWSBKVSA-N 2 1 378.561 3.987 20 0 GHADMP COc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC000886493423 901073672 /nfs/dbraw/zinc/07/36/72/901073672.db2.gz KNPHOCKUYYLDCP-ACRUOGEOSA-N 2 1 396.531 3.855 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886521138 901117565 /nfs/dbraw/zinc/11/75/65/901117565.db2.gz VGIPWODLMRJBNC-SXLOBPIMSA-N 2 1 381.486 3.656 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144241556 901399766 /nfs/dbraw/zinc/39/97/66/901399766.db2.gz WSEXWCWASQXYQG-VWNXMTODSA-N 2 1 379.548 3.658 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144241556 901399774 /nfs/dbraw/zinc/39/97/74/901399774.db2.gz WSEXWCWASQXYQG-VWNXMTODSA-N 2 1 379.548 3.658 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144241556 901399790 /nfs/dbraw/zinc/39/97/90/901399790.db2.gz WSEXWCWASQXYQG-VWNXMTODSA-N 2 1 379.548 3.658 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(CO)c1 ZINC000121663197 901653402 /nfs/dbraw/zinc/65/34/02/901653402.db2.gz ZNJDBMGYWUDQHV-LJQANCHMSA-N 2 1 398.547 3.519 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001144331106 901785103 /nfs/dbraw/zinc/78/51/03/901785103.db2.gz WFDRLNZDBOLUJN-LJQANCHMSA-N 2 1 385.508 3.661 20 0 GHADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646497114 914567886 /nfs/dbraw/zinc/56/78/86/914567886.db2.gz PAAVQSYTRCBKAM-DNVCBOLYSA-N 2 1 398.378 3.982 20 0 GHADMP C(CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000576316510 901940146 /nfs/dbraw/zinc/94/01/46/901940146.db2.gz VPLUFYGZYRKEGD-CMOCDZPBSA-N 2 1 388.596 3.834 20 0 GHADMP COc1ccc(Oc2ccc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000576703660 902204507 /nfs/dbraw/zinc/20/45/07/902204507.db2.gz LQMBJFAXUPSBHQ-LJQANCHMSA-N 2 1 382.504 3.675 20 0 GHADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000576755940 902238950 /nfs/dbraw/zinc/23/89/50/902238950.db2.gz CFXVININVJWAAN-VABKMULXSA-N 2 1 377.532 3.508 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000576768287 902246597 /nfs/dbraw/zinc/24/65/97/902246597.db2.gz PLBZZGVOGJKNBU-ROUUACIJSA-N 2 1 395.551 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000576768287 902246605 /nfs/dbraw/zinc/24/66/05/902246605.db2.gz PLBZZGVOGJKNBU-ROUUACIJSA-N 2 1 395.551 3.758 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126162446 902293454 /nfs/dbraw/zinc/29/34/54/902293454.db2.gz VFRKRYLJVBXXRF-KGVIQGDOSA-N 2 1 375.520 3.753 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126678673 902350966 /nfs/dbraw/zinc/35/09/66/902350966.db2.gz ZGYBHDXRHDNJOK-BPIHKTFHSA-N 2 1 377.960 3.682 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126678673 902350973 /nfs/dbraw/zinc/35/09/73/902350973.db2.gz ZGYBHDXRHDNJOK-BPIHKTFHSA-N 2 1 377.960 3.682 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576944623 902378406 /nfs/dbraw/zinc/37/84/06/902378406.db2.gz BMMMUVFDXRYQNJ-JIPAJGMOSA-N 2 1 393.934 3.509 20 0 GHADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000646533739 914623697 /nfs/dbraw/zinc/62/36/97/914623697.db2.gz MEJWJYGPMPRXKZ-GOSISDBHSA-N 2 1 390.597 3.728 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncn4ccccc24)CC3)c1 ZINC001144619015 902512021 /nfs/dbraw/zinc/51/20/21/902512021.db2.gz NGZMADODNPQTKK-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846222340 902797152 /nfs/dbraw/zinc/79/71/52/902797152.db2.gz HKFDHDRZXSBDAW-FKPGQJDZSA-N 2 1 387.568 3.529 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846227268 902803025 /nfs/dbraw/zinc/80/30/25/902803025.db2.gz LYTCPMCGMMPWSL-AHRSYUTCSA-N 2 1 388.943 3.695 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000846227327 902803110 /nfs/dbraw/zinc/80/31/10/902803110.db2.gz NXAIOEXBSSTMKW-PUHATCMVSA-N 2 1 393.531 3.653 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000779016170 902880528 /nfs/dbraw/zinc/88/05/28/902880528.db2.gz ZNEVRGCEJQIZLY-QIJUGHKUSA-N 2 1 399.579 3.854 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577629590 902973186 /nfs/dbraw/zinc/97/31/86/902973186.db2.gz DKXFPZUMRQUVBV-AZUAARDMSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577629590 902973199 /nfs/dbraw/zinc/97/31/99/902973199.db2.gz DKXFPZUMRQUVBV-AZUAARDMSA-N 2 1 381.923 3.509 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@@H]3CCC(C)C)CC2)CC1 ZINC000577767135 903168076 /nfs/dbraw/zinc/16/80/76/903168076.db2.gz SYJKZNPFBUNFSI-KNQAVFIVSA-N 2 1 377.617 3.904 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000772955120 903229139 /nfs/dbraw/zinc/22/91/39/903229139.db2.gz DHQJGNTWBUOWQY-HXUWFJFHSA-N 2 1 396.579 3.529 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000772955120 903229150 /nfs/dbraw/zinc/22/91/50/903229150.db2.gz DHQJGNTWBUOWQY-HXUWFJFHSA-N 2 1 396.579 3.529 20 0 GHADMP [NH3+]CCc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000578244543 903648605 /nfs/dbraw/zinc/64/86/05/903648605.db2.gz XORHERFIQGKGAR-HXUWFJFHSA-N 2 1 385.939 3.626 20 0 GHADMP [NH3+]CCc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000578244543 903648607 /nfs/dbraw/zinc/64/86/07/903648607.db2.gz XORHERFIQGKGAR-HXUWFJFHSA-N 2 1 385.939 3.626 20 0 GHADMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)n1[C@H](C)c1ccccc1 ZINC001146978597 903652590 /nfs/dbraw/zinc/65/25/90/903652590.db2.gz VEKAMWPYMHCMSF-AZUAARDMSA-N 2 1 398.595 3.716 20 0 GHADMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)n1[C@H](C)c1ccccc1 ZINC001146978597 903652594 /nfs/dbraw/zinc/65/25/94/903652594.db2.gz VEKAMWPYMHCMSF-AZUAARDMSA-N 2 1 398.595 3.716 20 0 GHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1C(F)(F)F ZINC000137684112 903873304 /nfs/dbraw/zinc/87/33/04/903873304.db2.gz OSSWVSPUEKWRFE-MRXNPFEDSA-N 2 1 383.458 3.842 20 0 GHADMP c1c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000578749232 904097780 /nfs/dbraw/zinc/09/77/80/904097780.db2.gz XDNAQLUKWVMPLN-XMMPIXPASA-N 2 1 387.531 3.569 20 0 GHADMP c1c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000578749232 904097794 /nfs/dbraw/zinc/09/77/94/904097794.db2.gz XDNAQLUKWVMPLN-XMMPIXPASA-N 2 1 387.531 3.569 20 0 GHADMP O=C1CCCN1Cc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000151410797 904126820 /nfs/dbraw/zinc/12/68/20/904126820.db2.gz WTFSYLJKYPIQMH-UHFFFAOYSA-N 2 1 391.559 3.606 20 0 GHADMP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000151901818 904211158 /nfs/dbraw/zinc/21/11/58/904211158.db2.gz WVGLLJRQPVEKFE-HOTGVXAUSA-N 2 1 398.532 3.501 20 0 GHADMP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171388560 904455479 /nfs/dbraw/zinc/45/54/79/904455479.db2.gz OCAJYSZCZGGAPV-FQEVSTJZSA-N 2 1 379.539 3.562 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000579465372 904629827 /nfs/dbraw/zinc/62/98/27/904629827.db2.gz VWBDFPADQAIVKU-PXNSSMCTSA-N 2 1 388.939 3.895 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171513409 904788871 /nfs/dbraw/zinc/78/88/71/904788871.db2.gz VDVCQKJZPAUZOE-MRXNPFEDSA-N 2 1 375.438 3.923 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564615 904829136 /nfs/dbraw/zinc/82/91/36/904829136.db2.gz CTQGQVGRCXZMMC-IRLDBZIGSA-N 2 1 384.564 3.592 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)C1 ZINC001171564615 904829152 /nfs/dbraw/zinc/82/91/52/904829152.db2.gz CTQGQVGRCXZMMC-IRLDBZIGSA-N 2 1 384.564 3.592 20 0 GHADMP Cc1cccc2c1CC[C@H]([NH+]1CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC1)C2 ZINC001171573767 904842525 /nfs/dbraw/zinc/84/25/25/904842525.db2.gz YBFRFINEFQGIJW-QFIPXVFZSA-N 2 1 378.564 3.716 20 0 GHADMP Cc1cccc2c1CC[C@H]([NH+]1CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC1)C2 ZINC001171573767 904842534 /nfs/dbraw/zinc/84/25/34/904842534.db2.gz YBFRFINEFQGIJW-QFIPXVFZSA-N 2 1 378.564 3.716 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001171672645 904913799 /nfs/dbraw/zinc/91/37/99/904913799.db2.gz UEGGCTUHEZMXDO-IGABQKFOSA-N 2 1 395.595 3.781 20 0 GHADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001171672645 904913811 /nfs/dbraw/zinc/91/38/11/904913811.db2.gz UEGGCTUHEZMXDO-IGABQKFOSA-N 2 1 395.595 3.781 20 0 GHADMP Cc1ccc(CC[C@H](C)[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001171672645 904913818 /nfs/dbraw/zinc/91/38/18/904913818.db2.gz UEGGCTUHEZMXDO-IGABQKFOSA-N 2 1 395.595 3.781 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)CC1(C)C ZINC001171635144 904924145 /nfs/dbraw/zinc/92/41/45/904924145.db2.gz OOYMPUQKABBHOS-UHFFFAOYSA-N 2 1 385.600 3.810 20 0 GHADMP C[NH+]1C(C)(C)CC([N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)CC1(C)C ZINC001171639534 904927568 /nfs/dbraw/zinc/92/75/68/904927568.db2.gz NXAOLZWARNIQNB-ALXJQNPVSA-N 2 1 379.589 3.873 20 0 GHADMP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)CC1(C)C ZINC001171638421 904927989 /nfs/dbraw/zinc/92/79/89/904927989.db2.gz WIGJTNQYVMZTKX-MISYRCLQSA-N 2 1 387.568 3.591 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)CC1(C)C ZINC001171638421 904928000 /nfs/dbraw/zinc/92/80/00/904928000.db2.gz WIGJTNQYVMZTKX-MISYRCLQSA-N 2 1 387.568 3.591 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000779161791 904948789 /nfs/dbraw/zinc/94/87/89/904948789.db2.gz OFOSOTKCDVVNGG-TZIWHRDSSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CN1Cc1ccccc1 ZINC001171750122 904977214 /nfs/dbraw/zinc/97/72/14/904977214.db2.gz JTUXCOMOHIDNAW-CEMLEFRQSA-N 2 1 385.596 3.661 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC[C@H]3C3CCC3)CC2)cc1 ZINC001171750027 904977963 /nfs/dbraw/zinc/97/79/63/904977963.db2.gz BBFFDQUSJYLYBA-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC[C@H]3C3CCC3)CC2)cc1 ZINC001171750027 904977971 /nfs/dbraw/zinc/97/79/71/904977971.db2.gz BBFFDQUSJYLYBA-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC[C@H]3C3CCC3)CC2)cc1 ZINC001171750027 904977977 /nfs/dbraw/zinc/97/79/77/904977977.db2.gz BBFFDQUSJYLYBA-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171762689 904999876 /nfs/dbraw/zinc/99/98/76/904999876.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762689 904999877 /nfs/dbraw/zinc/99/98/77/904999877.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762689 904999885 /nfs/dbraw/zinc/99/98/85/904999885.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762689 904999895 /nfs/dbraw/zinc/99/98/95/904999895.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762689 904999900 /nfs/dbraw/zinc/99/99/00/904999900.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762689 904999904 /nfs/dbraw/zinc/99/99/04/904999904.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171762689 904999908 /nfs/dbraw/zinc/99/99/08/904999908.db2.gz LHXHGGXOHQUSHQ-ZBCONREDSA-N 2 1 375.560 3.713 20 0 GHADMP COc1ccccc1CC1([NH3+])CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171738775 905024915 /nfs/dbraw/zinc/02/49/15/905024915.db2.gz NOMBRDAVRRKGDT-NZQKXSOJSA-N 2 1 393.575 3.694 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825034 905039503 /nfs/dbraw/zinc/03/95/03/905039503.db2.gz LHJPOVUPTZSTIG-JYLXEMOASA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171825034 905039522 /nfs/dbraw/zinc/03/95/22/905039522.db2.gz LHJPOVUPTZSTIG-JYLXEMOASA-N 2 1 379.589 3.971 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+]([C@H]1Cc3cccc(F)c3C1)CC2 ZINC001171800435 905060948 /nfs/dbraw/zinc/06/09/48/905060948.db2.gz VCFPGDWPDQIHHQ-OALUTQOASA-N 2 1 384.495 3.641 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171876434 905078391 /nfs/dbraw/zinc/07/83/91/905078391.db2.gz BLTJTRVJTFVMQO-NFBKMPQASA-N 2 1 379.548 3.778 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171966586 905174685 /nfs/dbraw/zinc/17/46/85/905174685.db2.gz LSRSTMUSIMGKFJ-DHIUTWEWSA-N 2 1 382.548 3.597 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(c3ccc(Br)cc3)CC1)C2 ZINC001171991891 905202625 /nfs/dbraw/zinc/20/26/25/905202625.db2.gz DLABDZIDXNGPRH-GGPHIMKMSA-N 2 1 378.358 3.633 20 0 GHADMP C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976410 905222377 /nfs/dbraw/zinc/22/23/77/905222377.db2.gz KWEMBOYQXZGRKJ-IBGZPJMESA-N 2 1 375.557 3.886 20 0 GHADMP C[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001171976410 905222386 /nfs/dbraw/zinc/22/23/86/905222386.db2.gz KWEMBOYQXZGRKJ-IBGZPJMESA-N 2 1 375.557 3.886 20 0 GHADMP C[NH+](CCNC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976410 905222398 /nfs/dbraw/zinc/22/23/98/905222398.db2.gz KWEMBOYQXZGRKJ-IBGZPJMESA-N 2 1 375.557 3.886 20 0 GHADMP C[NH+](CCNC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976410 905222407 /nfs/dbraw/zinc/22/24/07/905222407.db2.gz KWEMBOYQXZGRKJ-IBGZPJMESA-N 2 1 375.557 3.886 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987204 905247542 /nfs/dbraw/zinc/24/75/42/905247542.db2.gz RAWSBMOUDZAFJB-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987204 905247553 /nfs/dbraw/zinc/24/75/53/905247553.db2.gz RAWSBMOUDZAFJB-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987204 905247566 /nfs/dbraw/zinc/24/75/66/905247566.db2.gz RAWSBMOUDZAFJB-UNMCSNQZSA-N 2 1 395.547 3.987 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@@H]4CCN(C5CC5)C(=O)C4)CC3)C2)cc1 ZINC001172016507 905261584 /nfs/dbraw/zinc/26/15/84/905261584.db2.gz VNEFUHYYARSBIB-HSZRJFAPSA-N 2 1 395.591 3.826 20 0 GHADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061126 905264358 /nfs/dbraw/zinc/26/43/58/905264358.db2.gz FRJFVCPDKXQIRQ-BXXSPATCSA-N 2 1 380.532 3.602 20 0 GHADMP O=C(NC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001172074203 905279826 /nfs/dbraw/zinc/27/98/26/905279826.db2.gz GFMVOXQUEIFMEK-JKHIJQBDSA-N 2 1 381.564 3.563 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N(c2ncccn2)C2CC[NH2+]CC2)C3)cc1 ZINC001172074236 905280428 /nfs/dbraw/zinc/28/04/28/905280428.db2.gz GMVQKSKHMAWPJT-JKHIJQBDSA-N 2 1 391.563 3.621 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC4(C2)CC[N@H+](CC2CC2)C4)C3)cc1 ZINC001172073507 905281563 /nfs/dbraw/zinc/28/15/63/905281563.db2.gz XALGWJHWYYFJNG-UBRQYEGLSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC4(C2)CC[NH+](CC2CC2)C4)C3)cc1 ZINC001172073507 905281571 /nfs/dbraw/zinc/28/15/71/905281571.db2.gz XALGWJHWYYFJNG-UBRQYEGLSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CC4(C2)CC[NH+](CC2CC2)C4)C3)cc1 ZINC001172073507 905281586 /nfs/dbraw/zinc/28/15/86/905281586.db2.gz XALGWJHWYYFJNG-UBRQYEGLSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N(c2ncccn2)[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001172075748 905283922 /nfs/dbraw/zinc/28/39/22/905283922.db2.gz SPCAPWBVGBWSGE-BJESRGMDSA-N 2 1 391.563 3.621 20 0 GHADMP [NH3+]C[C@H](CO)c1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172079776 905292371 /nfs/dbraw/zinc/29/23/71/905292371.db2.gz RGLMLBLLXKFMHV-BUZMGHMJSA-N 2 1 379.548 3.719 20 0 GHADMP CCNC(=O)OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172082723 905295713 /nfs/dbraw/zinc/29/57/13/905295713.db2.gz LDMPEMWHSJMWAN-WKCHPHFGSA-N 2 1 385.552 3.783 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090763 905311153 /nfs/dbraw/zinc/31/11/53/905311153.db2.gz WZVDXURMOJNQGO-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090763 905311173 /nfs/dbraw/zinc/31/11/73/905311173.db2.gz WZVDXURMOJNQGO-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090763 905311194 /nfs/dbraw/zinc/31/11/94/905311194.db2.gz WZVDXURMOJNQGO-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090763 905311210 /nfs/dbraw/zinc/31/12/10/905311210.db2.gz WZVDXURMOJNQGO-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090762 905313553 /nfs/dbraw/zinc/31/35/53/905313553.db2.gz WZVDXURMOJNQGO-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090762 905313572 /nfs/dbraw/zinc/31/35/72/905313572.db2.gz WZVDXURMOJNQGO-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090762 905313591 /nfs/dbraw/zinc/31/35/91/905313591.db2.gz WZVDXURMOJNQGO-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090762 905313607 /nfs/dbraw/zinc/31/36/07/905313607.db2.gz WZVDXURMOJNQGO-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100693 905322408 /nfs/dbraw/zinc/32/24/08/905322408.db2.gz RKLLDTYDBHTEEQ-WAPOTWQKSA-N 2 1 379.589 3.875 20 0 GHADMP N=c1sc2c(n1[C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC[C@H]([NH3+])C2 ZINC001172065605 905330722 /nfs/dbraw/zinc/33/07/22/905330722.db2.gz OYUWUEWOKSGJRI-OKYOBFRVSA-N 2 1 382.577 3.603 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CCCN(c4cnccn4)C2)C3)cc1 ZINC001172068242 905337973 /nfs/dbraw/zinc/33/79/73/905337973.db2.gz JFDZIZMMFYSERZ-CWBXHPNXSA-N 2 1 391.563 3.621 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=O)NCc3ccc(Cl)cc3)CC1)C2 ZINC001172130086 905344682 /nfs/dbraw/zinc/34/46/82/905344682.db2.gz HIVKTDNYPKWHSD-AERCQKQUSA-N 2 1 389.971 3.684 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C(=O)NCc3ccc(Cl)cc3)CC1)C2 ZINC001172130086 905344697 /nfs/dbraw/zinc/34/46/97/905344697.db2.gz HIVKTDNYPKWHSD-AERCQKQUSA-N 2 1 389.971 3.684 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172110496 905355559 /nfs/dbraw/zinc/35/55/59/905355559.db2.gz NMNGXNBKVQHTEU-RSMWHSHJSA-N 2 1 389.971 3.986 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172110496 905355577 /nfs/dbraw/zinc/35/55/77/905355577.db2.gz NMNGXNBKVQHTEU-RSMWHSHJSA-N 2 1 389.971 3.986 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172109132 905356281 /nfs/dbraw/zinc/35/62/81/905356281.db2.gz BKQHEPSDDTZOOK-HAGHYFMRSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172109132 905356290 /nfs/dbraw/zinc/35/62/90/905356290.db2.gz BKQHEPSDDTZOOK-HAGHYFMRSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCc1ccc(CNC(=O)OC(C)(C)C)cc1)C2 ZINC001172108945 905357552 /nfs/dbraw/zinc/35/75/52/905357552.db2.gz FVWOTIYSLUKQQO-WKCHPHFGSA-N 2 1 387.568 3.859 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172111283 905358740 /nfs/dbraw/zinc/35/87/40/905358740.db2.gz PMAQUMLOHBAAMT-WTGUMLROSA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172111283 905358766 /nfs/dbraw/zinc/35/87/66/905358766.db2.gz PMAQUMLOHBAAMT-WTGUMLROSA-N 2 1 381.568 3.630 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(N3C(=O)OC[C@H]3c3ccccc3)CC1)C2 ZINC001172115358 905366281 /nfs/dbraw/zinc/36/62/81/905366281.db2.gz WOCIJBWINSMARD-LRSLUSHPSA-N 2 1 383.536 3.660 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(N3C(=O)OC[C@H]3c3ccccc3)CC1)C2 ZINC001172115358 905366294 /nfs/dbraw/zinc/36/62/94/905366294.db2.gz WOCIJBWINSMARD-LRSLUSHPSA-N 2 1 383.536 3.660 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1cccc(F)c1)[C@H]1CO[C@]3(C1)CCC[NH2+]C3)C2 ZINC001172117332 905370166 /nfs/dbraw/zinc/37/01/66/905370166.db2.gz IXNFNJRIOPMGLR-UORUAJHFSA-N 2 1 387.543 3.559 20 0 GHADMP Cc1noc(C)c1C[NH+]1CCCC12CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172117611 905370684 /nfs/dbraw/zinc/37/06/84/905370684.db2.gz KDZFBLMAQCCTJQ-WKCHPHFGSA-N 2 1 386.584 3.737 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172117611 905370703 /nfs/dbraw/zinc/37/07/03/905370703.db2.gz KDZFBLMAQCCTJQ-WKCHPHFGSA-N 2 1 386.584 3.737 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172117611 905370718 /nfs/dbraw/zinc/37/07/18/905370718.db2.gz KDZFBLMAQCCTJQ-WKCHPHFGSA-N 2 1 386.584 3.737 20 0 GHADMP CNC(=O)C[C@H]1CC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc21 ZINC001172121760 905378607 /nfs/dbraw/zinc/37/86/07/905378607.db2.gz MFUOANIPKJBRPC-BURNTYAHSA-N 2 1 395.591 3.659 20 0 GHADMP COCCC[NH+]1CCC([N@H+](C)C2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001172254217 905448472 /nfs/dbraw/zinc/44/84/72/905448472.db2.gz ISJXWXHKAJPONZ-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP COCCC[NH+]1CCC([N@@H+](C)C2CCC(N(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC001172254217 905448485 /nfs/dbraw/zinc/44/84/85/905448485.db2.gz ISJXWXHKAJPONZ-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175767793 905661971 /nfs/dbraw/zinc/66/19/71/905661971.db2.gz FUVNIVBQHDJCIP-LJQANCHMSA-N 2 1 390.597 3.574 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175767793 905661979 /nfs/dbraw/zinc/66/19/79/905661979.db2.gz FUVNIVBQHDJCIP-LJQANCHMSA-N 2 1 390.597 3.574 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172605957 905665529 /nfs/dbraw/zinc/66/55/29/905665529.db2.gz RPRXTBBCGSARBL-YOEHRIQHSA-N 2 1 384.442 3.687 20 0 GHADMP COC(=O)N1CCC([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172735190 905779714 /nfs/dbraw/zinc/77/97/14/905779714.db2.gz WCSZVZNVXVOOTG-IYARVYRRSA-N 2 1 379.932 3.643 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001172959966 906068714 /nfs/dbraw/zinc/06/87/14/906068714.db2.gz UZHROCZTXMYVLJ-MRXNPFEDSA-N 2 1 376.545 3.574 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(CSC(F)F)o3)CC2)nc(C)[nH+]1 ZINC000178615272 906363053 /nfs/dbraw/zinc/36/30/53/906363053.db2.gz RMVSLTYIFQQCRM-UHFFFAOYSA-N 2 1 382.480 3.901 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@H]1F ZINC001206200135 906468439 /nfs/dbraw/zinc/46/84/39/906468439.db2.gz QLWCKVLWPWBQTA-IAGOWNOFSA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@H]1F ZINC001206200135 906468447 /nfs/dbraw/zinc/46/84/47/906468447.db2.gz QLWCKVLWPWBQTA-IAGOWNOFSA-N 2 1 383.389 3.908 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001173558570 906532453 /nfs/dbraw/zinc/53/24/53/906532453.db2.gz URIKZPBOWKTLSE-VIQWUECVSA-N 2 1 397.357 3.631 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC001173558570 906532456 /nfs/dbraw/zinc/53/24/56/906532456.db2.gz URIKZPBOWKTLSE-VIQWUECVSA-N 2 1 397.357 3.631 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)CC2 ZINC001173612728 906540298 /nfs/dbraw/zinc/54/02/98/906540298.db2.gz RLORRUANAUCINC-DBAFAGGRSA-N 2 1 392.584 3.510 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C1)CC2 ZINC001173613862 906540319 /nfs/dbraw/zinc/54/03/19/906540319.db2.gz ZJRDMHIRUQDJLJ-LPZLOOLPSA-N 2 1 388.577 3.624 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632655 906584034 /nfs/dbraw/zinc/58/40/34/906584034.db2.gz MZKKQPAPHVGMEY-VMXMFDLUSA-N 2 1 388.552 3.889 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173720537 906670871 /nfs/dbraw/zinc/67/08/71/906670871.db2.gz KBJHZXBQNUFYPO-ZPMCFJSWSA-N 2 1 381.520 3.571 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001173725700 906689745 /nfs/dbraw/zinc/68/97/45/906689745.db2.gz PRNVGADOOIBAMQ-MSYCTHLASA-N 2 1 380.532 3.904 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001173725700 906689757 /nfs/dbraw/zinc/68/97/57/906689757.db2.gz PRNVGADOOIBAMQ-MSYCTHLASA-N 2 1 380.532 3.904 20 0 GHADMP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180856148 906861645 /nfs/dbraw/zinc/86/16/45/906861645.db2.gz WZHKSDZUNWKQTA-TZIWHRDSSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+]1CCC(Oc2ccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)nc2)CC1 ZINC001174397137 907002086 /nfs/dbraw/zinc/00/20/86/907002086.db2.gz PLYQTIVJEFFBBR-UHFFFAOYSA-N 2 1 378.520 3.756 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844819 907250798 /nfs/dbraw/zinc/25/07/98/907250798.db2.gz HDLUCMUFYMUYKQ-NQIIRXRSSA-N 2 1 389.584 3.969 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844819 907250808 /nfs/dbraw/zinc/25/08/08/907250808.db2.gz HDLUCMUFYMUYKQ-NQIIRXRSSA-N 2 1 389.584 3.969 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CC(C)(C)OC3(C)C)C2)ccn1 ZINC001174844819 907250818 /nfs/dbraw/zinc/25/08/18/907250818.db2.gz HDLUCMUFYMUYKQ-NQIIRXRSSA-N 2 1 389.584 3.969 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183191511 907347316 /nfs/dbraw/zinc/34/73/16/907347316.db2.gz FPCINYAODZJUPJ-ZHALLVOQSA-N 2 1 393.597 3.752 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648144 907786548 /nfs/dbraw/zinc/78/65/48/907786548.db2.gz VZQWLNIWBQICJT-FPOVZHCZSA-N 2 1 384.520 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC2CC=CC2)CC1 ZINC001176165959 907952242 /nfs/dbraw/zinc/95/22/42/907952242.db2.gz BREQSCFXTLGMPB-BGYRXZFFSA-N 2 1 375.557 3.501 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC3CC3)c3cccc(F)c3)CC2)CC1 ZINC000633750813 908468900 /nfs/dbraw/zinc/46/89/00/908468900.db2.gz IDCCWVQSUBRORH-UHFFFAOYSA-N 2 1 387.543 3.765 20 0 GHADMP Brc1cccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C2CCOCC2)c1 ZINC000191494324 908632624 /nfs/dbraw/zinc/63/26/24/908632624.db2.gz LUQFFWWJWPDYIN-MGPUTAFESA-N 2 1 393.369 3.991 20 0 GHADMP Brc1cccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCOCC2)c1 ZINC000191494350 908632763 /nfs/dbraw/zinc/63/27/63/908632763.db2.gz LUQFFWWJWPDYIN-FOIQADDNSA-N 2 1 393.369 3.991 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135391 908970977 /nfs/dbraw/zinc/97/09/77/908970977.db2.gz BHHAMJFUFNEHQU-CTNGQTDRSA-N 2 1 377.532 3.986 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC001178462393 909064643 /nfs/dbraw/zinc/06/46/43/909064643.db2.gz DOCDIJNRLRJCMV-IBGZPJMESA-N 2 1 381.907 3.745 20 0 GHADMP COc1cccc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c1OC ZINC001179806045 909743192 /nfs/dbraw/zinc/74/31/92/909743192.db2.gz ZMMIYOLLNFTHAJ-UHFFFAOYSA-N 2 1 392.503 3.616 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001180042696 909910222 /nfs/dbraw/zinc/91/02/22/909910222.db2.gz HPRDABUVFJHLKX-PMACEKPBSA-N 2 1 379.589 3.972 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1SC(F)F ZINC000268841609 910041616 /nfs/dbraw/zinc/04/16/16/910041616.db2.gz ATDAIZWWADVLFR-GDBMZVCRSA-N 2 1 388.524 3.897 20 0 GHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001274454797 910101194 /nfs/dbraw/zinc/10/11/94/910101194.db2.gz KMJOJKXDIJTPDI-RAFMOHDBSA-N 2 1 375.944 3.608 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638637220 910206780 /nfs/dbraw/zinc/20/67/80/910206780.db2.gz OYWKXNJBSPUFAP-NZQKXSOJSA-N 2 1 385.596 3.834 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638637222 910207220 /nfs/dbraw/zinc/20/72/20/910207220.db2.gz OYWKXNJBSPUFAP-REWPJTCUSA-N 2 1 385.596 3.834 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638855676 910253473 /nfs/dbraw/zinc/25/34/73/910253473.db2.gz HHWWZRGYHKRSHM-GGAORHGYSA-N 2 1 398.572 3.689 20 0 GHADMP CS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000638855676 910253485 /nfs/dbraw/zinc/25/34/85/910253485.db2.gz HHWWZRGYHKRSHM-GGAORHGYSA-N 2 1 398.572 3.689 20 0 GHADMP c1ccc([C@@H]2C[C@H](NCC3([NH+]4CCCCC4)CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638865262 910258464 /nfs/dbraw/zinc/25/84/64/910258464.db2.gz YQSKGRJUSKMWBK-VWNXMTODSA-N 2 1 397.607 3.979 20 0 GHADMP C[C@@H](NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908272 910274273 /nfs/dbraw/zinc/27/42/73/910274273.db2.gz ZTTVDPFNGYPSJY-WZONZLPQSA-N 2 1 381.568 3.813 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)[C@H](C)c3cnc(C)nc3C)CC2)c1C ZINC000639179885 910342526 /nfs/dbraw/zinc/34/25/26/910342526.db2.gz WGJVDNWJGOAZSP-GOSISDBHSA-N 2 1 397.567 3.771 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)[C@H](C)c3cnc(C)nc3C)CC2)c1C ZINC000639179885 910342544 /nfs/dbraw/zinc/34/25/44/910342544.db2.gz WGJVDNWJGOAZSP-GOSISDBHSA-N 2 1 397.567 3.771 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)[C@@H](C)c3cnc(C)nc3C)CC2)c1C ZINC000639179895 910342899 /nfs/dbraw/zinc/34/28/99/910342899.db2.gz WGJVDNWJGOAZSP-SFHVURJKSA-N 2 1 397.567 3.771 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)[C@@H](C)c3cnc(C)nc3C)CC2)c1C ZINC000639179895 910342913 /nfs/dbraw/zinc/34/29/13/910342913.db2.gz WGJVDNWJGOAZSP-SFHVURJKSA-N 2 1 397.567 3.771 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682214 910611732 /nfs/dbraw/zinc/61/17/32/910611732.db2.gz NERLAVXOPHIUCV-SFHVURJKSA-N 2 1 380.536 3.746 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682214 910611743 /nfs/dbraw/zinc/61/17/43/910611743.db2.gz NERLAVXOPHIUCV-SFHVURJKSA-N 2 1 380.536 3.746 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000271464972 910914810 /nfs/dbraw/zinc/91/48/10/910914810.db2.gz GNJRTDTXXZNXNR-JBBXEZCESA-N 2 1 385.321 3.617 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)[C@@H](C)C1 ZINC000247070538 910942166 /nfs/dbraw/zinc/94/21/66/910942166.db2.gz OGQCONNEWRIHBV-JQVVWYNYSA-N 2 1 387.568 3.601 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1)CC1CC1 ZINC000640611677 911083780 /nfs/dbraw/zinc/08/37/80/911083780.db2.gz GJUPVIRNLULHNF-UHFFFAOYSA-N 2 1 387.572 3.509 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1)CC1CC1 ZINC000640611677 911083800 /nfs/dbraw/zinc/08/38/00/911083800.db2.gz GJUPVIRNLULHNF-UHFFFAOYSA-N 2 1 387.572 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C(=O)Nc2cccc3c2C[NH+](C)C[C@@H]3c2ccccc2)C1 ZINC001181983726 911109448 /nfs/dbraw/zinc/10/94/48/911109448.db2.gz LXOBYWWSFMUCRH-PZJWPPBQSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[NH+]1CC[C@H](C(=O)Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)C1 ZINC001181983726 911109457 /nfs/dbraw/zinc/10/94/57/911109457.db2.gz LXOBYWWSFMUCRH-PZJWPPBQSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[NH+]1CC[C@H](C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)C1 ZINC001181983726 911109464 /nfs/dbraw/zinc/10/94/64/911109464.db2.gz LXOBYWWSFMUCRH-PZJWPPBQSA-N 2 1 377.532 3.933 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(c1cc(OC)cc2cccnc21)[C@H](C)CCC[NH3+] ZINC001181997297 911117219 /nfs/dbraw/zinc/11/72/19/911117219.db2.gz PQCVBTSRKYVYQS-YLJYHZDGSA-N 2 1 398.551 3.578 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926674 921635112 /nfs/dbraw/zinc/63/51/12/921635112.db2.gz YOYHGTALFVNAMS-UYAOXDASSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926674 921635118 /nfs/dbraw/zinc/63/51/18/921635118.db2.gz YOYHGTALFVNAMS-UYAOXDASSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000801926674 921635123 /nfs/dbraw/zinc/63/51/23/921635123.db2.gz YOYHGTALFVNAMS-UYAOXDASSA-N 2 1 379.589 3.687 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)N1CCCc2ccc(C[NH3+])nc21)c1ccccc1 ZINC001182237346 911286105 /nfs/dbraw/zinc/28/61/05/911286105.db2.gz QHAVQAGTLBKSQC-OAQYLSRUSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000283105348 911373742 /nfs/dbraw/zinc/37/37/42/911373742.db2.gz XPAJTZAUYYCKLX-UHFFFAOYSA-N 2 1 391.357 3.598 20 0 GHADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3C)C2)CC1 ZINC001182342384 911514202 /nfs/dbraw/zinc/51/42/02/911514202.db2.gz BCFLJVMGRLEMPO-RJGXRXQPSA-N 2 1 385.596 3.976 20 0 GHADMP C[C@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000641820310 911529231 /nfs/dbraw/zinc/52/92/31/911529231.db2.gz KGRNAMNRTWCACK-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC001182423919 911613310 /nfs/dbraw/zinc/61/33/10/911613310.db2.gz LELPSFLQQDFXTA-OTUUDDROSA-N 2 1 382.548 3.889 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC001182423919 911613318 /nfs/dbraw/zinc/61/33/18/911613318.db2.gz LELPSFLQQDFXTA-OTUUDDROSA-N 2 1 382.548 3.889 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248126653 911725772 /nfs/dbraw/zinc/72/57/72/911725772.db2.gz NZCFPQSTCNZSKW-FVELJTHGSA-N 2 1 397.604 3.549 20 0 GHADMP Cc1ccc([C@H](CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[NH+](C)C)cc1 ZINC001182482567 911834214 /nfs/dbraw/zinc/83/42/14/911834214.db2.gz RCOGRVYXUYTQIB-GOTSBHOMSA-N 2 1 379.548 3.837 20 0 GHADMP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001299399141 912022230 /nfs/dbraw/zinc/02/22/30/912022230.db2.gz QRAXZVYYTXUDIF-RDPSFJRHSA-N 2 1 391.559 3.503 20 0 GHADMP C[C@H](C[NH+](C)C)NC(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001186950714 914916423 /nfs/dbraw/zinc/91/64/23/914916423.db2.gz MHNXMSAYPLCNGA-WOIUINJBSA-N 2 1 379.548 3.553 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344431 915167449 /nfs/dbraw/zinc/16/74/49/915167449.db2.gz QMAMBKYUIDDKEO-BLIXFSHQSA-N 2 1 385.939 3.992 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000647487597 915300314 /nfs/dbraw/zinc/30/03/14/915300314.db2.gz QSXGSDNAXHXVNV-SFHVURJKSA-N 2 1 376.504 3.719 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384491 915361872 /nfs/dbraw/zinc/36/18/72/915361872.db2.gz OMMDPDMZBHIOKW-ZEQRLZLVSA-N 2 1 375.560 3.609 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963905 915455684 /nfs/dbraw/zinc/45/56/84/915455684.db2.gz HHQPIOOVBUYLBS-NJDAHSKKSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963905 915455695 /nfs/dbraw/zinc/45/56/95/915455695.db2.gz HHQPIOOVBUYLBS-NJDAHSKKSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963905 915455700 /nfs/dbraw/zinc/45/57/00/915455700.db2.gz HHQPIOOVBUYLBS-NJDAHSKKSA-N 2 1 377.617 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cc1ccccc1 ZINC000647976613 915457820 /nfs/dbraw/zinc/45/78/20/915457820.db2.gz QYTYDEMYGMWONM-XZOQPEGZSA-N 2 1 391.559 3.928 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3Cl)CC2)C1=O ZINC001275652350 915658441 /nfs/dbraw/zinc/65/84/41/915658441.db2.gz BNSUUMUAOCJTTI-FQEVSTJZSA-N 2 1 398.378 3.760 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000648732920 915843239 /nfs/dbraw/zinc/84/32/39/915843239.db2.gz VTLWWPKJJTWSAV-HKUYNNGSSA-N 2 1 396.535 3.501 20 0 GHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292853865 915876153 /nfs/dbraw/zinc/87/61/53/915876153.db2.gz UKESZTYFMQMCNC-XMMPIXPASA-N 2 1 387.531 3.521 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292853865 915876165 /nfs/dbraw/zinc/87/61/65/915876165.db2.gz UKESZTYFMQMCNC-XMMPIXPASA-N 2 1 387.531 3.521 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292853865 915876177 /nfs/dbraw/zinc/87/61/77/915876177.db2.gz UKESZTYFMQMCNC-XMMPIXPASA-N 2 1 387.531 3.521 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292853865 915876190 /nfs/dbraw/zinc/87/61/90/915876190.db2.gz UKESZTYFMQMCNC-XMMPIXPASA-N 2 1 387.531 3.521 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648830832 915897713 /nfs/dbraw/zinc/89/77/13/915897713.db2.gz CDVYSFSSOBSTBS-HJNYFJLDSA-N 2 1 394.563 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648830832 915897721 /nfs/dbraw/zinc/89/77/21/915897721.db2.gz CDVYSFSSOBSTBS-HJNYFJLDSA-N 2 1 394.563 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648830830 915898538 /nfs/dbraw/zinc/89/85/38/915898538.db2.gz CDVYSFSSOBSTBS-CEMLEFRQSA-N 2 1 394.563 3.910 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000648830830 915898554 /nfs/dbraw/zinc/89/85/54/915898554.db2.gz CDVYSFSSOBSTBS-CEMLEFRQSA-N 2 1 394.563 3.910 20 0 GHADMP CCc1nccn1[C@@H](C)CC(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649063901 916006985 /nfs/dbraw/zinc/00/69/85/916006985.db2.gz NCJFGVFOMHJGHT-PZJWPPBQSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649063901 916006992 /nfs/dbraw/zinc/00/69/92/916006992.db2.gz NCJFGVFOMHJGHT-PZJWPPBQSA-N 2 1 382.552 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649063901 916007011 /nfs/dbraw/zinc/00/70/11/916007011.db2.gz NCJFGVFOMHJGHT-PZJWPPBQSA-N 2 1 382.552 3.908 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCCOC2=O)cc1 ZINC000293563414 916269503 /nfs/dbraw/zinc/26/95/03/916269503.db2.gz CZENVAZWUDBXEB-CEXWTWQISA-N 2 1 389.540 3.573 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)NC(=O)CO4)cc2)C1 ZINC000294315125 916732373 /nfs/dbraw/zinc/73/23/73/916732373.db2.gz QSJCPXDININKFN-QGZVFWFLSA-N 2 1 379.504 3.539 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001189754514 916879834 /nfs/dbraw/zinc/87/98/34/916879834.db2.gz SHNPUBPINXINLM-FQEVSTJZSA-N 2 1 381.520 3.660 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000650417899 916971047 /nfs/dbraw/zinc/97/10/47/916971047.db2.gz GVCDDLNLROGFMV-UXHICEINSA-N 2 1 388.581 3.623 20 0 GHADMP O=C1O[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444240 917337016 /nfs/dbraw/zinc/33/70/16/917337016.db2.gz LNHMNSXVXQYPLN-UPVQGACJSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444240 917337023 /nfs/dbraw/zinc/33/70/23/917337023.db2.gz LNHMNSXVXQYPLN-UPVQGACJSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444240 917337036 /nfs/dbraw/zinc/33/70/36/917337036.db2.gz LNHMNSXVXQYPLN-UPVQGACJSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444240 917337051 /nfs/dbraw/zinc/33/70/51/917337051.db2.gz LNHMNSXVXQYPLN-UPVQGACJSA-N 2 1 391.515 3.610 20 0 GHADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362702425 917375450 /nfs/dbraw/zinc/37/54/50/917375450.db2.gz MTLRCKSTYIYRJG-MDZRGWNJSA-N 2 1 385.474 3.604 20 0 GHADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001190682346 917511195 /nfs/dbraw/zinc/51/11/95/917511195.db2.gz GNJJJIUKCGXWOC-XMMPIXPASA-N 2 1 399.623 3.960 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)OCc2ccccc2)CC1 ZINC001190792707 917568197 /nfs/dbraw/zinc/56/81/97/917568197.db2.gz XPFXCYLAPVYRDA-UHFFFAOYSA-N 2 1 380.532 3.964 20 0 GHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000651350709 917591846 /nfs/dbraw/zinc/59/18/46/917591846.db2.gz PNTZHXAWEKBPSS-MFKWGIFDSA-N 2 1 382.470 3.865 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnnn2-c2ccccc2)cc1 ZINC000651677387 917690510 /nfs/dbraw/zinc/69/05/10/917690510.db2.gz GIXKPMLUUCBQNM-IBGZPJMESA-N 2 1 375.520 3.932 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000652361980 917883036 /nfs/dbraw/zinc/88/30/36/917883036.db2.gz VBQAUTKIHIUWJE-BHIYHBOVSA-N 2 1 375.900 3.856 20 0 GHADMP COC(=O)c1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001191380714 917943119 /nfs/dbraw/zinc/94/31/19/917943119.db2.gz ABRBHTXAPRBMDK-FPOVZHCZSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001191380714 917943133 /nfs/dbraw/zinc/94/31/33/917943133.db2.gz ABRBHTXAPRBMDK-FPOVZHCZSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001191380714 917943144 /nfs/dbraw/zinc/94/31/44/917943144.db2.gz ABRBHTXAPRBMDK-FPOVZHCZSA-N 2 1 396.531 3.837 20 0 GHADMP COC(=O)c1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001191380714 917943152 /nfs/dbraw/zinc/94/31/52/917943152.db2.gz ABRBHTXAPRBMDK-FPOVZHCZSA-N 2 1 396.531 3.837 20 0 GHADMP C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775509698 918490742 /nfs/dbraw/zinc/49/07/42/918490742.db2.gz PKOIMINMJOOLAZ-IOMROCGXSA-N 2 1 387.568 3.790 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000381895730 919715103 /nfs/dbraw/zinc/71/51/03/919715103.db2.gz GCIKYPOIILVLMX-IBGZPJMESA-N 2 1 375.557 3.792 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@H](CCCC[NH3+])c2ccc(F)cc2F)CC1 ZINC000902348438 922109559 /nfs/dbraw/zinc/10/95/59/922109559.db2.gz MHOFWSCBKHUOBC-HXUWFJFHSA-N 2 1 383.527 3.614 20 0 GHADMP COc1cccc(-c2cc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)on2)c1 ZINC000902452853 922205681 /nfs/dbraw/zinc/20/56/81/922205681.db2.gz MSEAGIAOQASRBQ-GGAORHGYSA-N 2 1 391.471 3.696 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(Cl)nc21 ZINC000367692255 922267963 /nfs/dbraw/zinc/26/79/63/922267963.db2.gz YTMBDABEDLEGTE-INIZCTEOSA-N 2 1 375.948 3.829 20 0 GHADMP FC(F)Oc1ccccc1N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903098175 922770350 /nfs/dbraw/zinc/77/03/50/922770350.db2.gz LVGAKCFQDANRKC-UNPWZGGWSA-N 2 1 377.479 3.614 20 0 GHADMP O[C@H]1C[C@](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)(c2ccccc2)C1 ZINC000903271265 922897487 /nfs/dbraw/zinc/89/74/87/922897487.db2.gz LGBWCQHWYSKTRY-JQZXIOIQSA-N 2 1 376.544 3.722 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1cc(F)cc(F)c1 ZINC000370196837 923948113 /nfs/dbraw/zinc/94/81/13/923948113.db2.gz GBNJWDNJCBSAKA-UHFFFAOYSA-N 2 1 394.510 3.625 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000677130851 924251736 /nfs/dbraw/zinc/25/17/36/924251736.db2.gz XSRSWCNPKIKAEK-HSZRJFAPSA-N 2 1 385.502 3.879 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370705289 924267975 /nfs/dbraw/zinc/26/79/75/924267975.db2.gz FVHHSBRCGXSKHT-HNNXBMFYSA-N 2 1 383.458 3.840 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000677476888 924373760 /nfs/dbraw/zinc/37/37/60/924373760.db2.gz JENBKYGWFBVLNF-XZOQPEGZSA-N 2 1 392.547 3.700 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000677476888 924373762 /nfs/dbraw/zinc/37/37/62/924373762.db2.gz JENBKYGWFBVLNF-XZOQPEGZSA-N 2 1 392.547 3.700 20 0 GHADMP C[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677904879 924543298 /nfs/dbraw/zinc/54/32/98/924543298.db2.gz SXWFDPVIQSCEGY-PXNSSMCTSA-N 2 1 383.502 3.596 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000678338895 924731868 /nfs/dbraw/zinc/73/18/68/924731868.db2.gz IANATDRCJRCQOJ-GZMOKQHVSA-N 2 1 376.541 3.556 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000678338895 924731873 /nfs/dbraw/zinc/73/18/73/924731873.db2.gz IANATDRCJRCQOJ-GZMOKQHVSA-N 2 1 376.541 3.556 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000678338896 924732343 /nfs/dbraw/zinc/73/23/43/924732343.db2.gz IANATDRCJRCQOJ-HKJQZYRSSA-N 2 1 376.541 3.556 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000678338896 924732351 /nfs/dbraw/zinc/73/23/51/924732351.db2.gz IANATDRCJRCQOJ-HKJQZYRSSA-N 2 1 376.541 3.556 20 0 GHADMP Brc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678686033 924883999 /nfs/dbraw/zinc/88/39/99/924883999.db2.gz NOWOQLAXFCKZJW-KXBFYZLASA-N 2 1 379.342 3.669 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1)C[C@H]1CCCCO1 ZINC000678798365 924927907 /nfs/dbraw/zinc/92/79/07/924927907.db2.gz XHJRMJCVWIXUPY-YADHBBJMSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CCCC[NH+]2C)cc1)C[C@H]1CCCCO1 ZINC000678798365 924927913 /nfs/dbraw/zinc/92/79/13/924927913.db2.gz XHJRMJCVWIXUPY-YADHBBJMSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1)C[C@H]1CCCCO1 ZINC000678798365 924927923 /nfs/dbraw/zinc/92/79/23/924927923.db2.gz XHJRMJCVWIXUPY-YADHBBJMSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1)C[C@H]1CCCCO1 ZINC000678798365 924927939 /nfs/dbraw/zinc/92/79/39/924927939.db2.gz XHJRMJCVWIXUPY-YADHBBJMSA-N 2 1 387.568 3.889 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc(F)cc43)c2)C1 ZINC000678927466 924975907 /nfs/dbraw/zinc/97/59/07/924975907.db2.gz JRQFYWSKUVLRBI-OFNKIYASSA-N 2 1 395.522 3.690 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000680001906 925327933 /nfs/dbraw/zinc/32/79/33/925327933.db2.gz RDOPTVRMMUPAJR-QFIPXVFZSA-N 2 1 378.564 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000397989671 926485947 /nfs/dbraw/zinc/48/59/47/926485947.db2.gz PSKKLJNIROQPLZ-ZNLUXHQJSA-N 2 1 388.939 3.580 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000411548675 926511871 /nfs/dbraw/zinc/51/18/71/926511871.db2.gz FRUAGVWQGRDZPC-XXBNENTESA-N 2 1 395.547 3.914 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(c2cnccn2)CC1 ZINC000411677266 926633403 /nfs/dbraw/zinc/63/34/03/926633403.db2.gz QPIQMJFFWDMYKF-UHFFFAOYSA-N 2 1 379.552 3.563 20 0 GHADMP CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411691610 926650342 /nfs/dbraw/zinc/65/03/42/926650342.db2.gz NPWOFJYUTBIHOC-FQEVSTJZSA-N 2 1 383.540 3.501 20 0 GHADMP C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000411717355 926684846 /nfs/dbraw/zinc/68/48/46/926684846.db2.gz INUAXAJXAKCVDV-AIZNXBIQSA-N 2 1 391.559 3.839 20 0 GHADMP C[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411717355 926684858 /nfs/dbraw/zinc/68/48/58/926684858.db2.gz INUAXAJXAKCVDV-AIZNXBIQSA-N 2 1 391.559 3.839 20 0 GHADMP C[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411717355 926684866 /nfs/dbraw/zinc/68/48/66/926684866.db2.gz INUAXAJXAKCVDV-AIZNXBIQSA-N 2 1 391.559 3.839 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000411797543 926774046 /nfs/dbraw/zinc/77/40/46/926774046.db2.gz LBFFPAPYBAKHNV-QMBYIOMDSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000411797543 926774053 /nfs/dbraw/zinc/77/40/53/926774053.db2.gz LBFFPAPYBAKHNV-QMBYIOMDSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000411797543 926774059 /nfs/dbraw/zinc/77/40/59/926774059.db2.gz LBFFPAPYBAKHNV-QMBYIOMDSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000412065669 927053174 /nfs/dbraw/zinc/05/31/74/927053174.db2.gz CYXCIZDYCSUIPM-DGQTTZFYSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H]1[C@H](CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000412065669 927053189 /nfs/dbraw/zinc/05/31/89/927053189.db2.gz CYXCIZDYCSUIPM-DGQTTZFYSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749448951 927109380 /nfs/dbraw/zinc/10/93/80/927109380.db2.gz AYKICSFLILEPBQ-HSALFYBXSA-N 2 1 387.568 3.542 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c(-c2ccccc2)nc2sccn12 ZINC000749543444 927180933 /nfs/dbraw/zinc/18/09/33/927180933.db2.gz BRIFOARLAOYXJA-HBFSDRIKSA-N 2 1 396.560 3.746 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c(-c2ccccc2)nc2sccn12 ZINC000749543444 927180939 /nfs/dbraw/zinc/18/09/39/927180939.db2.gz BRIFOARLAOYXJA-HBFSDRIKSA-N 2 1 396.560 3.746 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000412316064 927325994 /nfs/dbraw/zinc/32/59/94/927325994.db2.gz VMYHJUQPLYKSFW-OAQYLSRUSA-N 2 1 398.595 3.828 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412316064 927326012 /nfs/dbraw/zinc/32/60/12/927326012.db2.gz VMYHJUQPLYKSFW-OAQYLSRUSA-N 2 1 398.595 3.828 20 0 GHADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000374990799 927784628 /nfs/dbraw/zinc/78/46/28/927784628.db2.gz VHNKKZKCIIPNHN-HXUWFJFHSA-N 2 1 390.524 3.676 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C(C)C)cc1 ZINC000751009156 927978244 /nfs/dbraw/zinc/97/82/44/927978244.db2.gz BMDUSVMVFYXZJM-HXUWFJFHSA-N 2 1 376.614 3.855 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C(C)C)cc1 ZINC000751009154 927978661 /nfs/dbraw/zinc/97/86/61/927978661.db2.gz BMDUSVMVFYXZJM-FQEVSTJZSA-N 2 1 376.614 3.855 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000544239033 928966053 /nfs/dbraw/zinc/96/60/53/928966053.db2.gz DMTKMJITZBCHQU-IBGZPJMESA-N 2 1 384.568 3.580 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000467685259 929300680 /nfs/dbraw/zinc/30/06/80/929300680.db2.gz GIKKUUMJDBMJJS-HYBUGGRVSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753765917 929525004 /nfs/dbraw/zinc/52/50/04/929525004.db2.gz DKTWSLXWXISJPT-NRSPTQNISA-N 2 1 387.568 3.744 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000757786582 929799057 /nfs/dbraw/zinc/79/90/57/929799057.db2.gz HSKRZKSINJWLDW-UZLBHIALSA-N 2 1 381.524 3.659 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000757786582 929799065 /nfs/dbraw/zinc/79/90/65/929799065.db2.gz HSKRZKSINJWLDW-UZLBHIALSA-N 2 1 381.524 3.659 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)C1 ZINC000546181006 929933133 /nfs/dbraw/zinc/93/31/33/929933133.db2.gz PGLIZDQOIABBQJ-VGSWGCGISA-N 2 1 399.966 3.758 20 0 GHADMP COCCn1cc2c(n1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CCC2 ZINC000546268351 930006956 /nfs/dbraw/zinc/00/69/56/930006956.db2.gz WTGMKHSYFXPKRM-YUXAGFNASA-N 2 1 382.552 3.550 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000469787590 930162418 /nfs/dbraw/zinc/16/24/18/930162418.db2.gz PYMJBDBMQXOIAP-YPGOJHLTSA-N 2 1 384.495 3.859 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000469787590 930162424 /nfs/dbraw/zinc/16/24/24/930162424.db2.gz PYMJBDBMQXOIAP-YPGOJHLTSA-N 2 1 384.495 3.859 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000469844356 930200296 /nfs/dbraw/zinc/20/02/96/930200296.db2.gz YVWJKLGFAMXVBA-AGILITTLSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000469844356 930200305 /nfs/dbraw/zinc/20/03/05/930200305.db2.gz YVWJKLGFAMXVBA-AGILITTLSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000469844356 930200315 /nfs/dbraw/zinc/20/03/15/930200315.db2.gz YVWJKLGFAMXVBA-AGILITTLSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000469844356 930200327 /nfs/dbraw/zinc/20/03/27/930200327.db2.gz YVWJKLGFAMXVBA-AGILITTLSA-N 2 1 391.559 3.772 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCCC34CCCCC4)cc2)CC1 ZINC000759394902 930357401 /nfs/dbraw/zinc/35/74/01/930357401.db2.gz IOBAWGMNBOBEQW-UHFFFAOYSA-N 2 1 384.568 3.566 20 0 GHADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000470368024 930566240 /nfs/dbraw/zinc/56/62/40/930566240.db2.gz WBQQEIGGIUGWQI-DYESRHJHSA-N 2 1 399.966 3.931 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000782182333 931110815 /nfs/dbraw/zinc/11/08/15/931110815.db2.gz GPZYLEBRNLGZOJ-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000782182333 931110819 /nfs/dbraw/zinc/11/08/19/931110819.db2.gz GPZYLEBRNLGZOJ-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000782182333 931110820 /nfs/dbraw/zinc/11/08/20/931110820.db2.gz GPZYLEBRNLGZOJ-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000782182333 931110822 /nfs/dbraw/zinc/11/08/22/931110822.db2.gz GPZYLEBRNLGZOJ-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)CC1 ZINC000782182001 931111007 /nfs/dbraw/zinc/11/10/07/931111007.db2.gz NALXMUNPWJCXGY-NRFANRHFSA-N 2 1 389.971 3.594 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000557259021 931304949 /nfs/dbraw/zinc/30/49/49/931304949.db2.gz HTLVQNCAWCKYJO-NQIIRXRSSA-N 2 1 381.520 3.667 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000557259021 931304954 /nfs/dbraw/zinc/30/49/54/931304954.db2.gz HTLVQNCAWCKYJO-NQIIRXRSSA-N 2 1 381.520 3.667 20 0 GHADMP c1ccc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CCOCC2)cc1 ZINC000782757907 931326358 /nfs/dbraw/zinc/32/63/58/931326358.db2.gz RCKQDXVGQZUSPS-XMMPIXPASA-N 2 1 380.532 3.776 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CC1 ZINC000557482506 931462831 /nfs/dbraw/zinc/46/28/31/931462831.db2.gz JJPBJDJAGNFUAC-UHFFFAOYSA-N 2 1 378.520 3.703 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(CC[NH+](C)C)cc3)cc2)C1 ZINC000557525299 931518712 /nfs/dbraw/zinc/51/87/12/931518712.db2.gz QYBBQSQFPGEQRI-HXUWFJFHSA-N 2 1 393.575 3.953 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000557640113 931589423 /nfs/dbraw/zinc/58/94/23/931589423.db2.gz HXKSGBYQXVYMLZ-UPVQGACJSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557640113 931589425 /nfs/dbraw/zinc/58/94/25/931589425.db2.gz HXKSGBYQXVYMLZ-UPVQGACJSA-N 2 1 381.564 3.518 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557640113 931589426 /nfs/dbraw/zinc/58/94/26/931589426.db2.gz HXKSGBYQXVYMLZ-UPVQGACJSA-N 2 1 381.564 3.518 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3(Br)CC3)CC2)cs1 ZINC000925031427 931618984 /nfs/dbraw/zinc/61/89/84/931618984.db2.gz NPVGCLNHCXXQLD-CYBMUJFWSA-N 2 1 386.403 3.823 20 0 GHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+](C)C ZINC000557821983 931706770 /nfs/dbraw/zinc/70/67/70/931706770.db2.gz VJRJLJSKRGIREC-DENIHFKCSA-N 2 1 388.600 3.748 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000558226397 931893479 /nfs/dbraw/zinc/89/34/79/931893479.db2.gz OSOBUAISNOZODI-LJQANCHMSA-N 2 1 375.520 3.891 20 0 GHADMP CN(CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000796745642 932051515 /nfs/dbraw/zinc/05/15/15/932051515.db2.gz PLWXPKOIUOVIJL-UHFFFAOYSA-N 2 1 375.557 3.886 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H]2CCC[C@@H]21 ZINC000796746582 932052098 /nfs/dbraw/zinc/05/20/98/932052098.db2.gz UBLMSTHUCXCGMG-HKBOAZHASA-N 2 1 387.568 3.716 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124146 932056981 /nfs/dbraw/zinc/05/69/81/932056981.db2.gz HCRYGJAQFQZSPH-YADARESESA-N 3 1 381.564 3.556 20 0 GHADMP O[C@H]1[C@H](C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC12CCOCC2 ZINC000926372869 932152194 /nfs/dbraw/zinc/15/21/94/932152194.db2.gz KICNRLGCXSABPM-MVGLCXIQSA-N 2 1 398.591 3.729 20 0 GHADMP CC(C)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(O)CCOCC1 ZINC000926598968 932242365 /nfs/dbraw/zinc/24/23/65/932242365.db2.gz CKUZKVCFZHZJDI-FRIKZZABSA-N 2 1 386.580 3.729 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc(Br)ccc1F ZINC000559323718 932600674 /nfs/dbraw/zinc/60/06/74/932600674.db2.gz JEMDSFJOXXAHLN-UHFFFAOYSA-N 2 1 375.245 3.767 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798935436 932823162 /nfs/dbraw/zinc/82/31/62/932823162.db2.gz ORBIXEKXOLZTDR-YADARESESA-N 2 1 395.547 3.914 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798956632 932838829 /nfs/dbraw/zinc/83/88/29/932838829.db2.gz HDEIXYLRNSSUGS-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000559787861 932857913 /nfs/dbraw/zinc/85/79/13/932857913.db2.gz QGZXETLECFXZOL-FYYLOGMGSA-N 2 1 377.532 3.781 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000559787861 932857921 /nfs/dbraw/zinc/85/79/21/932857921.db2.gz QGZXETLECFXZOL-FYYLOGMGSA-N 2 1 377.532 3.781 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)C2)CC1 ZINC000799177087 932898504 /nfs/dbraw/zinc/89/85/04/932898504.db2.gz KQFSHLDHHHRVET-UHFFFAOYSA-N 2 1 395.547 3.616 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc(C(=O)NCc4ccco4)c3)C2)CC1 ZINC000799177543 932899273 /nfs/dbraw/zinc/89/92/73/932899273.db2.gz UIFFILOKBKUFCC-UHFFFAOYSA-N 2 1 381.520 3.517 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178965 932900664 /nfs/dbraw/zinc/90/06/64/932900664.db2.gz UMEULNLMSBTGML-ZWKOTPCHSA-N 2 1 383.536 3.806 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(N4CCCCCC4)cc3)C2)CC1 ZINC000799178516 932900784 /nfs/dbraw/zinc/90/07/84/932900784.db2.gz XYJDTQTXCQRVOJ-UHFFFAOYSA-N 2 1 398.595 3.813 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cs2)c1 ZINC000799179893 932901094 /nfs/dbraw/zinc/90/10/94/932901094.db2.gz YEPQIQVESJJPOO-UHFFFAOYSA-N 2 1 399.560 3.905 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000560018870 933020810 /nfs/dbraw/zinc/02/08/10/933020810.db2.gz SUSMIDJYWOTOIW-AVRDEDQJSA-N 2 1 390.930 3.884 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000560018870 933020816 /nfs/dbraw/zinc/02/08/16/933020816.db2.gz SUSMIDJYWOTOIW-AVRDEDQJSA-N 2 1 390.930 3.884 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001116023570 933289481 /nfs/dbraw/zinc/28/94/81/933289481.db2.gz JEJDKLYVOCVOQT-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001116023570 933289490 /nfs/dbraw/zinc/28/94/90/933289490.db2.gz JEJDKLYVOCVOQT-HSZRJFAPSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)CC1 ZINC000561157772 933924218 /nfs/dbraw/zinc/92/42/18/933924218.db2.gz ZKYYIKFBCUYYIF-UHFFFAOYSA-N 2 1 399.457 3.562 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)c3cccc(C)c3)CC2)CC1 ZINC000561192097 933944942 /nfs/dbraw/zinc/94/49/42/933944942.db2.gz MKHVLNPKXASVAH-UHFFFAOYSA-N 2 1 385.596 3.585 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2ccnn2)c1 ZINC000562024640 934641027 /nfs/dbraw/zinc/64/10/27/934641027.db2.gz LVZXHDNOVXOYTD-ZWKOTPCHSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2ccnn2)c1 ZINC000562024640 934641030 /nfs/dbraw/zinc/64/10/30/934641030.db2.gz LVZXHDNOVXOYTD-ZWKOTPCHSA-N 2 1 381.549 3.892 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2)c1ccccc1 ZINC001122319382 934854267 /nfs/dbraw/zinc/85/42/67/934854267.db2.gz HIPZFAPNACRFFU-UNMCSNQZSA-N 2 1 393.531 3.523 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1scnc1Cl)CC2 ZINC001137818828 935806469 /nfs/dbraw/zinc/80/64/69/935806469.db2.gz ZCYDPQGKHOSWAJ-CQSZACIVSA-N 2 1 381.929 3.645 20 0 GHADMP CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1scnc1Cl)CC2 ZINC001137818828 935806473 /nfs/dbraw/zinc/80/64/73/935806473.db2.gz ZCYDPQGKHOSWAJ-CQSZACIVSA-N 2 1 381.929 3.645 20 0 GHADMP Cc1cccc(C)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001137850831 935824547 /nfs/dbraw/zinc/82/45/47/935824547.db2.gz WWXQGIUDJRXHMJ-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(F)cc3C)CC2)CC1 ZINC000830346868 935933435 /nfs/dbraw/zinc/93/34/35/935933435.db2.gz UXXQKLKMGFVRMP-QGZVFWFLSA-N 2 1 375.532 3.508 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001625791622 1014169010 /nfs/dbraw/zinc/16/90/10/1014169010.db2.gz BCQGOANSQLMZNU-NRFANRHFSA-N 2 1 391.987 3.933 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001625791622 1014169016 /nfs/dbraw/zinc/16/90/16/1014169016.db2.gz BCQGOANSQLMZNU-NRFANRHFSA-N 2 1 391.987 3.933 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001220751206 1032100452 /nfs/dbraw/zinc/10/04/52/1032100452.db2.gz JRPOSHDQFOPWNB-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001220751206 1032100468 /nfs/dbraw/zinc/10/04/68/1032100468.db2.gz JRPOSHDQFOPWNB-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001220751206 1032100477 /nfs/dbraw/zinc/10/04/77/1032100477.db2.gz JRPOSHDQFOPWNB-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@H](C)CN(Cc4ccccc4)C3)CCCC2)CC1 ZINC000468553634 1015799719 /nfs/dbraw/zinc/79/97/19/1015799719.db2.gz KUJJCGZSHOOISU-JTHBVZDNSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2c(Br)cccc2OC(F)F)CCC[C@@H]1C[NH3+] ZINC001206027902 1033692799 /nfs/dbraw/zinc/69/27/99/1033692799.db2.gz XCDDBIBJRJNYEA-VXGBXAGGSA-N 2 1 377.273 3.857 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001220883584 1032173252 /nfs/dbraw/zinc/17/32/52/1032173252.db2.gz SPMBOBCHEIYLRO-OAQYLSRUSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220883584 1032173265 /nfs/dbraw/zinc/17/32/65/1032173265.db2.gz SPMBOBCHEIYLRO-OAQYLSRUSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220883584 1032173275 /nfs/dbraw/zinc/17/32/75/1032173275.db2.gz SPMBOBCHEIYLRO-OAQYLSRUSA-N 2 1 386.584 3.733 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001221063327 1032263291 /nfs/dbraw/zinc/26/32/91/1032263291.db2.gz RVJFZDPTXBFMKG-XPWALMASSA-N 2 1 377.532 3.508 20 0 GHADMP C[N@@H+](CCC(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)Cc1ccccc1 ZINC001221204186 1032329642 /nfs/dbraw/zinc/32/96/42/1032329642.db2.gz HTAOFEYUKOEFPA-HSZRJFAPSA-N 2 1 397.538 3.895 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)c2c1C ZINC001155034532 1032389014 /nfs/dbraw/zinc/38/90/14/1032389014.db2.gz WXZRDNAHMJTONZ-YOEHRIQHSA-N 2 1 387.597 3.952 20 0 GHADMP C[C@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001227447814 1032424003 /nfs/dbraw/zinc/42/40/03/1032424003.db2.gz VJZFFNZAUQOLBP-TZIWHRDSSA-N 2 1 388.600 3.516 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccco1 ZINC001221546680 1032456683 /nfs/dbraw/zinc/45/66/83/1032456683.db2.gz CEFMWMWCICJEMU-SFTDATJTSA-N 2 1 398.551 3.545 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001221792918 1032537622 /nfs/dbraw/zinc/53/76/22/1032537622.db2.gz ZIMJYXYHJZHSOV-NJDAHSKKSA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1 ZINC001221792918 1032537611 /nfs/dbraw/zinc/53/76/11/1032537611.db2.gz ZIMJYXYHJZHSOV-NJDAHSKKSA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001221792918 1032537617 /nfs/dbraw/zinc/53/76/17/1032537617.db2.gz ZIMJYXYHJZHSOV-NJDAHSKKSA-N 2 1 390.547 3.525 20 0 GHADMP c1cc2n(c1)C[C@H](CCNc1[nH+]cnc3c1ccn3Cc1ccccc1)C[NH2+]C2 ZINC001155458923 1032550563 /nfs/dbraw/zinc/55/05/63/1032550563.db2.gz LXZMFNBEYOKJPJ-LJQANCHMSA-N 2 1 386.503 3.503 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221913152 1032571042 /nfs/dbraw/zinc/57/10/42/1032571042.db2.gz FMNBUMBCHCTQKG-FLPIEVNYSA-N 2 1 378.605 3.593 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001204144239 1032600329 /nfs/dbraw/zinc/60/03/29/1032600329.db2.gz HFYOGQJCCQBROT-OAQYLSRUSA-N 2 1 382.504 3.943 20 0 GHADMP CCS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000926908913 1017323720 /nfs/dbraw/zinc/32/37/20/1017323720.db2.gz LYXJIKINAGIGSX-GHTZIAJQSA-N 2 1 392.609 3.655 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)C1 ZINC000559896196 1017511981 /nfs/dbraw/zinc/51/19/81/1017511981.db2.gz QMTQZTGEGOWFQQ-GMQQQROESA-N 2 1 392.609 3.610 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001204358645 1032794193 /nfs/dbraw/zinc/79/41/93/1032794193.db2.gz GHKFNMNBNJKFDJ-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP CC[NH+]1CCC(CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000564670097 1019100394 /nfs/dbraw/zinc/10/03/94/1019100394.db2.gz BBGVBIMRXCJLDW-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000564994324 1019136744 /nfs/dbraw/zinc/13/67/44/1019136744.db2.gz PHOIRWOEULTRGI-JQVVWYNYSA-N 2 1 383.580 3.706 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)CC1 ZINC000566570550 1019238317 /nfs/dbraw/zinc/23/83/17/1019238317.db2.gz LCZCKQHTMOQNPK-UHFFFAOYSA-N 2 1 380.536 3.817 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000778550561 1019248211 /nfs/dbraw/zinc/24/82/11/1019248211.db2.gz COOJZICJLOXRBC-LSWJPFSZSA-N 2 1 377.532 3.601 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000778550561 1019248215 /nfs/dbraw/zinc/24/82/15/1019248215.db2.gz COOJZICJLOXRBC-LSWJPFSZSA-N 2 1 377.532 3.601 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000567364864 1019285590 /nfs/dbraw/zinc/28/55/90/1019285590.db2.gz WUQFNCXRQMIWQV-KCZVDYSFSA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000567364864 1019285599 /nfs/dbraw/zinc/28/55/99/1019285599.db2.gz WUQFNCXRQMIWQV-KCZVDYSFSA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1cccs1 ZINC000567364864 1019285605 /nfs/dbraw/zinc/28/56/05/1019285605.db2.gz WUQFNCXRQMIWQV-KCZVDYSFSA-N 2 1 397.588 3.769 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001204396511 1032820225 /nfs/dbraw/zinc/82/02/25/1032820225.db2.gz PJSBDLHLCYCVCH-DHIUTWEWSA-N 2 1 397.607 3.891 20 0 GHADMP COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567612254 1019315632 /nfs/dbraw/zinc/31/56/32/1019315632.db2.gz GMUQYJZNKOSZSU-QNWVGRARSA-N 2 1 393.531 3.707 20 0 GHADMP COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000567612254 1019315648 /nfs/dbraw/zinc/31/56/48/1019315648.db2.gz GMUQYJZNKOSZSU-QNWVGRARSA-N 2 1 393.531 3.707 20 0 GHADMP CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000572153273 1019745350 /nfs/dbraw/zinc/74/53/50/1019745350.db2.gz MKQMGLWQIMVRFY-OAQYLSRUSA-N 2 1 383.511 3.586 20 0 GHADMP CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000572153273 1019745359 /nfs/dbraw/zinc/74/53/59/1019745359.db2.gz MKQMGLWQIMVRFY-OAQYLSRUSA-N 2 1 383.511 3.586 20 0 GHADMP O[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCc2ccccc21 ZINC000158644877 1020005727 /nfs/dbraw/zinc/00/57/27/1020005727.db2.gz KLYJLLLQBJLJIQ-XMMPIXPASA-N 2 1 382.523 3.646 20 0 GHADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594042 1020041149 /nfs/dbraw/zinc/04/11/49/1020041149.db2.gz BOQONRHYZOESEP-FPOVZHCZSA-N 2 1 394.563 3.871 20 0 GHADMP Fc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001204438563 1032876638 /nfs/dbraw/zinc/87/66/38/1032876638.db2.gz VXULEBOBWJPTOX-WIYYLYMNSA-N 2 1 389.902 3.597 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000601284471 1020332345 /nfs/dbraw/zinc/33/23/45/1020332345.db2.gz QMVSTXSQXXAGCF-TZIWHRDSSA-N 2 1 398.551 3.578 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000601284471 1020332357 /nfs/dbraw/zinc/33/23/57/1020332357.db2.gz QMVSTXSQXXAGCF-TZIWHRDSSA-N 2 1 398.551 3.578 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1(C)C ZINC000628235810 1020679837 /nfs/dbraw/zinc/67/98/37/1020679837.db2.gz CJVVFAQJALHCKY-QFIPXVFZSA-N 2 1 389.547 3.956 20 0 GHADMP COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000631619038 1020895575 /nfs/dbraw/zinc/89/55/75/1020895575.db2.gz XZHHEMHDSLBPDM-UNMCSNQZSA-N 2 1 396.531 3.655 20 0 GHADMP COc1ccc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc2c1 ZINC001204516900 1032942929 /nfs/dbraw/zinc/94/29/29/1032942929.db2.gz NUKBHGSVWJRVEK-UHFFFAOYSA-N 2 1 390.531 3.699 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000637033017 1021011495 /nfs/dbraw/zinc/01/14/95/1021011495.db2.gz HHKNSYXQRCWCJJ-WOJBJXKFSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccn(C(F)F)c2=O)cc1 ZINC000638363126 1021040779 /nfs/dbraw/zinc/04/07/79/1021040779.db2.gz ITUIUQBTTRECHN-MRXNPFEDSA-N 2 1 375.463 3.908 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4ccccn4)cc3)C2)C1 ZINC001140378433 1021525056 /nfs/dbraw/zinc/52/50/56/1021525056.db2.gz CMPCTUBSTBGXNW-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(-c4ccccn4)cc3)C2)C1 ZINC001140378433 1021525064 /nfs/dbraw/zinc/52/50/64/1021525064.db2.gz CMPCTUBSTBGXNW-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)C1 ZINC001140378433 1021525076 /nfs/dbraw/zinc/52/50/76/1021525076.db2.gz CMPCTUBSTBGXNW-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cn1 ZINC000902947477 1021559752 /nfs/dbraw/zinc/55/97/52/1021559752.db2.gz JIRDGRJRGWJOJY-KBXCAEBGSA-N 2 1 379.426 3.518 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C(F)(F)F)cn1 ZINC000902947477 1021559770 /nfs/dbraw/zinc/55/97/70/1021559770.db2.gz JIRDGRJRGWJOJY-KBXCAEBGSA-N 2 1 379.426 3.518 20 0 GHADMP COC(=O)c1cnc([C@@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000903454563 1021603843 /nfs/dbraw/zinc/60/38/43/1021603843.db2.gz DAOMXTIWQITYPX-OQIJWPOYSA-N 2 1 399.560 3.881 20 0 GHADMP Cn1cnc2cc(C[N@@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001140507658 1021892995 /nfs/dbraw/zinc/89/29/95/1021892995.db2.gz NLEKFWUVWXJVNF-KJXAQDMKSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[N@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001140507658 1021893012 /nfs/dbraw/zinc/89/30/12/1021893012.db2.gz NLEKFWUVWXJVNF-KJXAQDMKSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[NH+]3C[C@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001140507658 1021893027 /nfs/dbraw/zinc/89/30/27/1021893027.db2.gz NLEKFWUVWXJVNF-KJXAQDMKSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[NH+]3C[C@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001140507658 1021893045 /nfs/dbraw/zinc/89/30/45/1021893045.db2.gz NLEKFWUVWXJVNF-KJXAQDMKSA-N 2 1 389.547 3.701 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c3cc(Br)ccc3nn2C)CC1 ZINC001140671022 1022225211 /nfs/dbraw/zinc/22/52/11/1022225211.db2.gz RULBHAJESRSODF-UHFFFAOYSA-N 2 1 393.373 3.888 20 0 GHADMP CCC1(CNC(=O)CCCn2cc[nH+]c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000754106223 1022485737 /nfs/dbraw/zinc/48/57/37/1022485737.db2.gz LYPNZDUAROCRSA-UHFFFAOYSA-N 2 1 382.552 3.780 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140775046 1022495532 /nfs/dbraw/zinc/49/55/32/1022495532.db2.gz FSPQKRGNCPZGEP-WOJBJXKFSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(O)cc(OC)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140775046 1022495537 /nfs/dbraw/zinc/49/55/37/1022495537.db2.gz FSPQKRGNCPZGEP-WOJBJXKFSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(O)cc(OC)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140775046 1022495547 /nfs/dbraw/zinc/49/55/47/1022495547.db2.gz FSPQKRGNCPZGEP-WOJBJXKFSA-N 2 1 396.531 3.753 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1I ZINC001204748717 1033063191 /nfs/dbraw/zinc/06/31/91/1033063191.db2.gz QQILXSXZYXOSBC-UHFFFAOYSA-N 2 1 384.305 3.565 20 0 GHADMP CCN(Cc1ccccc1N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140971043 1023041372 /nfs/dbraw/zinc/04/13/72/1023041372.db2.gz DYEQMJKQORGLBQ-DEOSSOPVSA-N 2 1 392.591 3.535 20 0 GHADMP CC[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001140971043 1023041383 /nfs/dbraw/zinc/04/13/83/1023041383.db2.gz DYEQMJKQORGLBQ-DEOSSOPVSA-N 2 1 392.591 3.535 20 0 GHADMP CC[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001140971043 1023041393 /nfs/dbraw/zinc/04/13/93/1023041393.db2.gz DYEQMJKQORGLBQ-DEOSSOPVSA-N 2 1 392.591 3.535 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)C(C)(C)C ZINC000755065881 1023055455 /nfs/dbraw/zinc/05/54/55/1023055455.db2.gz JSOZNPXEVMTPFO-YZGWKJHDSA-N 2 1 380.621 3.647 20 0 GHADMP Fc1cc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1C(F)(F)F ZINC001204870375 1033134209 /nfs/dbraw/zinc/13/42/09/1033134209.db2.gz CQIDVLLCZBISHD-UHFFFAOYSA-N 2 1 396.432 3.695 20 0 GHADMP Fc1cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1C(F)(F)F ZINC001204870375 1033134224 /nfs/dbraw/zinc/13/42/24/1033134224.db2.gz CQIDVLLCZBISHD-UHFFFAOYSA-N 2 1 396.432 3.695 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC[NH2+][C@H](C)C4)c23)C1 ZINC001156699586 1033193426 /nfs/dbraw/zinc/19/34/26/1033193426.db2.gz FVIVTABCDWQBDS-HZPDHXFCSA-N 2 1 399.608 3.600 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC(C)(C)CC[NH+]4CCCCCC4)cc3c2C1 ZINC001138349298 1024712020 /nfs/dbraw/zinc/71/20/20/1024712020.db2.gz QYTOIBRILGHAMA-UHFFFAOYSA-N 2 1 396.579 3.930 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC(C)(C)CC[NH+]4CCCCCC4)cc3c2C1 ZINC001138349298 1024712031 /nfs/dbraw/zinc/71/20/31/1024712031.db2.gz QYTOIBRILGHAMA-UHFFFAOYSA-N 2 1 396.579 3.930 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138445324 1024863819 /nfs/dbraw/zinc/86/38/19/1024863819.db2.gz GTLKFLZZICKZHL-GGAORHGYSA-N 2 1 387.531 3.734 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138445324 1024863833 /nfs/dbraw/zinc/86/38/33/1024863833.db2.gz GTLKFLZZICKZHL-GGAORHGYSA-N 2 1 387.531 3.734 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138445324 1024863851 /nfs/dbraw/zinc/86/38/51/1024863851.db2.gz GTLKFLZZICKZHL-GGAORHGYSA-N 2 1 387.531 3.734 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138445324 1024863871 /nfs/dbraw/zinc/86/38/71/1024863871.db2.gz GTLKFLZZICKZHL-GGAORHGYSA-N 2 1 387.531 3.734 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000121866606 1024922016 /nfs/dbraw/zinc/92/20/16/1024922016.db2.gz LWDHOBQJWLDVAE-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000121866606 1024922018 /nfs/dbraw/zinc/92/20/18/1024922018.db2.gz LWDHOBQJWLDVAE-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138549530 1024997612 /nfs/dbraw/zinc/99/76/12/1024997612.db2.gz XVKMRRZGGUHKFE-APWZRJJASA-N 2 1 384.524 3.916 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001138549530 1024997616 /nfs/dbraw/zinc/99/76/16/1024997616.db2.gz XVKMRRZGGUHKFE-APWZRJJASA-N 2 1 384.524 3.916 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138579161 1025058140 /nfs/dbraw/zinc/05/81/40/1025058140.db2.gz LMDWMFONURSFAJ-SFHVURJKSA-N 2 1 386.540 3.556 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c(C)c1C ZINC001138724238 1025251421 /nfs/dbraw/zinc/25/14/21/1025251421.db2.gz LXCPOPGSNFYVIS-ZJSXRUAMSA-N 2 1 386.580 3.801 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c(C)c1C ZINC001138724238 1025251432 /nfs/dbraw/zinc/25/14/32/1025251432.db2.gz LXCPOPGSNFYVIS-ZJSXRUAMSA-N 2 1 386.580 3.801 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(C)c1C ZINC001138724238 1025251445 /nfs/dbraw/zinc/25/14/45/1025251445.db2.gz LXCPOPGSNFYVIS-ZJSXRUAMSA-N 2 1 386.580 3.801 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nn1 ZINC001141505681 1025313300 /nfs/dbraw/zinc/31/33/00/1025313300.db2.gz WWUPRGQPXGTWCA-ROUUACIJSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nn1 ZINC001141505681 1025313352 /nfs/dbraw/zinc/31/33/52/1025313352.db2.gz WWUPRGQPXGTWCA-ROUUACIJSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nn1 ZINC001141505681 1025313403 /nfs/dbraw/zinc/31/34/03/1025313403.db2.gz WWUPRGQPXGTWCA-ROUUACIJSA-N 2 1 390.453 3.839 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)cc1 ZINC001138770799 1025340399 /nfs/dbraw/zinc/34/03/99/1025340399.db2.gz SDUNLAIDEKRZKJ-QPPBQGQZSA-N 2 1 395.547 3.703 20 0 GHADMP COc1ccccc1[C@@H](O)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC001138772837 1025343269 /nfs/dbraw/zinc/34/32/69/1025343269.db2.gz GDBKENISQWMCQD-QFIPXVFZSA-N 2 1 386.536 3.580 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC001138772955 1025343954 /nfs/dbraw/zinc/34/39/54/1025343954.db2.gz LZXALNYGKJAYIT-LJQANCHMSA-N 2 1 391.556 3.506 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2)C1 ZINC000838874273 1025410346 /nfs/dbraw/zinc/41/03/46/1025410346.db2.gz RWDWZTOUDXNWJI-LJQANCHMSA-N 2 1 380.536 3.883 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NCC2(c3cccnc3)CC[NH2+]CC2)nc1 ZINC001162039680 1025556117 /nfs/dbraw/zinc/55/61/17/1025556117.db2.gz JAPOXPZNMUAQGE-OAQYLSRUSA-N 2 1 379.552 3.757 20 0 GHADMP [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CCN(c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001162054527 1025568950 /nfs/dbraw/zinc/56/89/50/1025568950.db2.gz PTRORSINYAXJBD-UHFFFAOYSA-N 2 1 391.441 3.610 20 0 GHADMP CC(C)C[C@H](Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)C(=O)OCc1ccccc1 ZINC001162079411 1025590105 /nfs/dbraw/zinc/59/01/05/1025590105.db2.gz AWGYPGWBPLWULF-FQEVSTJZSA-N 2 1 392.503 3.591 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)CC2CCCCC2)c1C ZINC001141575040 1025638041 /nfs/dbraw/zinc/63/80/41/1025638041.db2.gz MNIMWKLBTJKZJB-UHFFFAOYSA-N 2 1 376.589 3.715 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2Cc3ccccc3C[C@H]2C)c1C ZINC001141575063 1025639097 /nfs/dbraw/zinc/63/90/97/1025639097.db2.gz NLBXZVXHIXCKCS-QGZVFWFLSA-N 2 1 396.579 3.650 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2Cc3ccccc3C[C@H]2C)c1C ZINC001141575063 1025639103 /nfs/dbraw/zinc/63/91/03/1025639103.db2.gz NLBXZVXHIXCKCS-QGZVFWFLSA-N 2 1 396.579 3.650 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000839181494 1025692273 /nfs/dbraw/zinc/69/22/73/1025692273.db2.gz IVZZNKZIHBKHIN-WCIQWLHISA-N 2 1 379.589 3.876 20 0 GHADMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001162456602 1025753301 /nfs/dbraw/zinc/75/33/01/1025753301.db2.gz XMXOGBIEUGRDJP-IAGOWNOFSA-N 2 1 389.620 3.791 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ncccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC001461036071 1069351413 /nfs/dbraw/zinc/35/14/13/1069351413.db2.gz PFLUZJRVQXRKAN-HXUWFJFHSA-N 2 1 392.469 3.569 20 0 GHADMP Cc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2[nH]ccc21 ZINC001162932817 1025971028 /nfs/dbraw/zinc/97/10/28/1025971028.db2.gz JQRRARHKCQVQBT-FQEVSTJZSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1c[nH+]c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2[nH]ccc21 ZINC001162932817 1025971033 /nfs/dbraw/zinc/97/10/33/1025971033.db2.gz JQRRARHKCQVQBT-FQEVSTJZSA-N 3 1 389.547 3.785 20 0 GHADMP Cc1c[nH+]c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2[nH]ccc21 ZINC001162932817 1025971036 /nfs/dbraw/zinc/97/10/36/1025971036.db2.gz JQRRARHKCQVQBT-FQEVSTJZSA-N 3 1 389.547 3.785 20 0 GHADMP c1nc2c(cccc2NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)o1 ZINC001162933719 1025971454 /nfs/dbraw/zinc/97/14/54/1025971454.db2.gz GXCHGSJCYJZOMD-LJQANCHMSA-N 2 1 376.504 3.742 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4ccncc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940146 1025976311 /nfs/dbraw/zinc/97/63/11/1025976311.db2.gz AMGSAWHYQYOUPG-NRFANRHFSA-N 2 1 387.531 3.544 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4cccnc4c3)CC[C@@H]21 ZINC001139170170 1025992293 /nfs/dbraw/zinc/99/22/93/1025992293.db2.gz IVBQFAQDUYGIJL-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4cccnc4c3)CC[C@@H]21 ZINC001139170170 1025992300 /nfs/dbraw/zinc/99/23/00/1025992300.db2.gz IVBQFAQDUYGIJL-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4cccnc4c3)CC[C@@H]21 ZINC001139170170 1025992306 /nfs/dbraw/zinc/99/23/06/1025992306.db2.gz IVBQFAQDUYGIJL-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4cccnc4c3)CC[C@@H]21 ZINC001139170170 1025992312 /nfs/dbraw/zinc/99/23/12/1025992312.db2.gz IVBQFAQDUYGIJL-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000839525090 1026009182 /nfs/dbraw/zinc/00/91/82/1026009182.db2.gz NZHXDTJXKXFQJA-NLWGTHIKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000839525090 1026009202 /nfs/dbraw/zinc/00/92/02/1026009202.db2.gz NZHXDTJXKXFQJA-NLWGTHIKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000839525090 1026009222 /nfs/dbraw/zinc/00/92/22/1026009222.db2.gz NZHXDTJXKXFQJA-NLWGTHIKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000839525090 1026009242 /nfs/dbraw/zinc/00/92/42/1026009242.db2.gz NZHXDTJXKXFQJA-NLWGTHIKSA-N 2 1 377.573 3.582 20 0 GHADMP COc1ccc(OC)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1N ZINC001139273317 1026121064 /nfs/dbraw/zinc/12/10/64/1026121064.db2.gz TVLDEGMKNUVEPJ-UHFFFAOYSA-N 2 1 395.547 3.774 20 0 GHADMP COCC[N@@H+](C)[C@@H](CNc1cc(C[NH+](C)C)ccn1)c1ccc(Cl)cc1 ZINC001163384941 1026170510 /nfs/dbraw/zinc/17/05/10/1026170510.db2.gz PUTDZGGWQOKJEI-IBGZPJMESA-N 2 1 376.932 3.528 20 0 GHADMP C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513775 1026369749 /nfs/dbraw/zinc/36/97/49/1026369749.db2.gz BGCSSSRZKVXVOS-JTHBVZDNSA-N 2 1 393.575 3.602 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1C(C)C ZINC001139620914 1026488307 /nfs/dbraw/zinc/48/83/07/1026488307.db2.gz ZGAPFKBFHHIDRN-RTWAWAEBSA-N 2 1 382.552 3.506 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1C(C)C ZINC001139620914 1026488312 /nfs/dbraw/zinc/48/83/12/1026488312.db2.gz ZGAPFKBFHHIDRN-RTWAWAEBSA-N 2 1 382.552 3.506 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1C(C)C ZINC001139620914 1026488322 /nfs/dbraw/zinc/48/83/22/1026488322.db2.gz ZGAPFKBFHHIDRN-RTWAWAEBSA-N 2 1 382.552 3.506 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1C(C)C ZINC001139620914 1026488328 /nfs/dbraw/zinc/48/83/28/1026488328.db2.gz ZGAPFKBFHHIDRN-RTWAWAEBSA-N 2 1 382.552 3.506 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139643651 1026506030 /nfs/dbraw/zinc/50/60/30/1026506030.db2.gz ZXEKRKILBDSZAD-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139643651 1026506042 /nfs/dbraw/zinc/50/60/42/1026506042.db2.gz ZXEKRKILBDSZAD-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(-c3cccnc3)cc1)C2 ZINC001139643651 1026506052 /nfs/dbraw/zinc/50/60/52/1026506052.db2.gz ZXEKRKILBDSZAD-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)o1 ZINC001204390153 1026508739 /nfs/dbraw/zinc/50/87/39/1026508739.db2.gz GAZLALJYPJUNMA-UHFFFAOYSA-N 2 1 395.547 3.592 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164475384 1026521067 /nfs/dbraw/zinc/52/10/67/1026521067.db2.gz ZOVUSDHOQHFKRW-BBRMVZONSA-N 2 1 375.586 3.714 20 0 GHADMP C[NH+]1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)cc2)CC1 ZINC001164493334 1026530271 /nfs/dbraw/zinc/53/02/71/1026530271.db2.gz RUHOCNMJYCGVOL-NQHRYMMQSA-N 2 1 390.575 3.761 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001139713593 1026557757 /nfs/dbraw/zinc/55/77/57/1026557757.db2.gz URRMLOXIMKKJEK-UHFFFAOYSA-N 2 1 395.547 3.519 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC001165075378 1026589401 /nfs/dbraw/zinc/58/94/01/1026589401.db2.gz XFUKZCASHQCYOD-INIZCTEOSA-N 2 1 375.586 3.680 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(C)CC[NH+]2CCCC2)n1 ZINC001165140897 1026630666 /nfs/dbraw/zinc/63/06/66/1026630666.db2.gz FGRZZLYFZRVMNC-UHFFFAOYSA-N 2 1 375.586 3.682 20 0 GHADMP c1ccc2c(c1)CC[N@H+](C1CCN(c3ccc(C[NH+]4CCCC4)cn3)CC1)C2 ZINC001165155042 1026637424 /nfs/dbraw/zinc/63/74/24/1026637424.db2.gz RRCXXNORYOETHN-UHFFFAOYSA-N 2 1 376.548 3.705 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001165182499 1026651578 /nfs/dbraw/zinc/65/15/78/1026651578.db2.gz NYVRCAGARXTVRD-IIBYNOLFSA-N 2 1 384.955 3.728 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001165201364 1026662183 /nfs/dbraw/zinc/66/21/83/1026662183.db2.gz HBEZRKUFGZARHE-VQTJNVASSA-N 2 1 394.563 3.654 20 0 GHADMP COc1cc2c[nH+]c(N3CCC4(CC[NH2+]CC4)[C@@H]3C(F)(F)F)cc2cc1OC ZINC001165270836 1026687344 /nfs/dbraw/zinc/68/73/44/1026687344.db2.gz PVFWGXUQUUFQMK-GOSISDBHSA-N 2 1 395.425 3.763 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001139886534 1026703032 /nfs/dbraw/zinc/70/30/32/1026703032.db2.gz WFNDITGMXLMVJT-MJGOQNOKSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001139886534 1026703043 /nfs/dbraw/zinc/70/30/43/1026703043.db2.gz WFNDITGMXLMVJT-MJGOQNOKSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001139886534 1026703056 /nfs/dbraw/zinc/70/30/56/1026703056.db2.gz WFNDITGMXLMVJT-MJGOQNOKSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001139886534 1026703064 /nfs/dbraw/zinc/70/30/64/1026703064.db2.gz WFNDITGMXLMVJT-MJGOQNOKSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139886532 1026703647 /nfs/dbraw/zinc/70/36/47/1026703647.db2.gz WFNDITGMXLMVJT-IEBWSBKVSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139886532 1026703653 /nfs/dbraw/zinc/70/36/53/1026703653.db2.gz WFNDITGMXLMVJT-IEBWSBKVSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139886532 1026703662 /nfs/dbraw/zinc/70/36/62/1026703662.db2.gz WFNDITGMXLMVJT-IEBWSBKVSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001139886532 1026703675 /nfs/dbraw/zinc/70/36/75/1026703675.db2.gz WFNDITGMXLMVJT-IEBWSBKVSA-N 2 1 392.469 3.701 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@H](O)c2cccc3ccccc32)c2cccs2)CC1 ZINC000834353090 1026945864 /nfs/dbraw/zinc/94/58/64/1026945864.db2.gz BVEOOKWHPKZTTN-VXKWHMMOSA-N 2 1 395.572 3.513 20 0 GHADMP COc1cccc(N2CC[NH+](CCSCCCCn3cc[nH+]c3C)CC2)c1 ZINC001166810531 1027090414 /nfs/dbraw/zinc/09/04/14/1027090414.db2.gz DFJBZIBUYXKVSC-UHFFFAOYSA-N 2 1 388.581 3.536 20 0 GHADMP O=C1N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[C@@H](c2cccnc2)C12CCC2 ZINC000840031603 1027097011 /nfs/dbraw/zinc/09/70/11/1027097011.db2.gz RVWKFSKFQNLKJP-QFIPXVFZSA-N 2 1 396.579 3.681 20 0 GHADMP Cn1cnc2c1cc(C1CC[NH+](Cc3c[nH+]ccc3N)CC1)nc2-c1ccccc1 ZINC001209727345 1027122990 /nfs/dbraw/zinc/12/29/90/1027122990.db2.gz WDDQOKDCKCJBNK-UHFFFAOYSA-N 2 1 398.514 3.822 20 0 GHADMP CCc1nc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)[nH]1 ZINC001203237440 1027241764 /nfs/dbraw/zinc/24/17/64/1027241764.db2.gz BZPONOGSBYDIKE-KRWDZBQOSA-N 2 1 388.581 3.598 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)o1 ZINC001203292399 1027263935 /nfs/dbraw/zinc/26/39/35/1027263935.db2.gz PWHWXYXDTMAIRJ-QPPBQGQZSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCc3ccccn3)C2)o1 ZINC001203292399 1027263956 /nfs/dbraw/zinc/26/39/56/1027263956.db2.gz PWHWXYXDTMAIRJ-QPPBQGQZSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2ccccn2)o1 ZINC001203292399 1027263970 /nfs/dbraw/zinc/26/39/70/1027263970.db2.gz PWHWXYXDTMAIRJ-QPPBQGQZSA-N 2 1 395.547 3.734 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2ccccn2)o1 ZINC001203292399 1027263980 /nfs/dbraw/zinc/26/39/80/1027263980.db2.gz PWHWXYXDTMAIRJ-QPPBQGQZSA-N 2 1 395.547 3.734 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC001461227743 1069452189 /nfs/dbraw/zinc/45/21/89/1069452189.db2.gz CMNIOCCQKWNKPP-SIKLNZKXSA-N 3 1 387.593 3.861 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC001461227743 1069452191 /nfs/dbraw/zinc/45/21/91/1069452191.db2.gz CMNIOCCQKWNKPP-SIKLNZKXSA-N 3 1 387.593 3.861 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C(C)(C)C ZINC001461228462 1069451675 /nfs/dbraw/zinc/45/16/75/1069451675.db2.gz CUEGIKIRCMBFKD-GMAHTHKFSA-N 2 1 396.575 3.965 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C(C)(C)C ZINC001461228462 1069451679 /nfs/dbraw/zinc/45/16/79/1069451679.db2.gz CUEGIKIRCMBFKD-GMAHTHKFSA-N 2 1 396.575 3.965 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(OC)c1 ZINC001203477143 1027366935 /nfs/dbraw/zinc/36/69/35/1027366935.db2.gz LJNPGWCKJIZOBE-UHFFFAOYSA-N 2 1 395.547 3.975 20 0 GHADMP C[N@@H+](Cc1ccccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1)C1CCCCC1 ZINC001210268070 1027415208 /nfs/dbraw/zinc/41/52/08/1027415208.db2.gz UNFGKQWRMWXTNT-UHFFFAOYSA-N 3 1 379.552 3.999 20 0 GHADMP C[N@H+](Cc1ccccc1Nc1ccnc(N2CC[NH2+]CC2)c1)C1CCCCC1 ZINC001210268070 1027415216 /nfs/dbraw/zinc/41/52/16/1027415216.db2.gz UNFGKQWRMWXTNT-UHFFFAOYSA-N 2 1 379.552 3.999 20 0 GHADMP C[N@@H+](Cc1ccccc1Nc1ccnc(N2CC[NH2+]CC2)c1)C1CCCCC1 ZINC001210268070 1027415227 /nfs/dbraw/zinc/41/52/27/1027415227.db2.gz UNFGKQWRMWXTNT-UHFFFAOYSA-N 2 1 379.552 3.999 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001461258367 1069464843 /nfs/dbraw/zinc/46/48/43/1069464843.db2.gz WGBKVSGKMYCDRA-IEBWSBKVSA-N 2 1 391.357 3.906 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(C)c1 ZINC001203733112 1027560360 /nfs/dbraw/zinc/56/03/60/1027560360.db2.gz ZDQXCTQEAKGOOF-QHCPKHFHSA-N 2 1 379.548 3.954 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(F)c4)CC3)C2)c1 ZINC001203784824 1027602166 /nfs/dbraw/zinc/60/21/66/1027602166.db2.gz NRDNCHMBWPPLMW-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(F)c4)CC3)C2)c1 ZINC001203784824 1027602173 /nfs/dbraw/zinc/60/21/73/1027602173.db2.gz NRDNCHMBWPPLMW-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1F ZINC001203794059 1027608023 /nfs/dbraw/zinc/60/80/23/1027608023.db2.gz YCGVCOLKBLERTC-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1F ZINC001203794059 1027608027 /nfs/dbraw/zinc/60/80/27/1027608027.db2.gz YCGVCOLKBLERTC-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP Brc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc2c1OCCO2 ZINC001461269436 1069472523 /nfs/dbraw/zinc/47/25/23/1069472523.db2.gz RLBIJBKRPCSEGP-UHFFFAOYSA-N 2 1 395.341 3.717 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837825 1027673655 /nfs/dbraw/zinc/67/36/55/1027673655.db2.gz VTDZTQQAQZXCAA-FQEVSTJZSA-N 2 1 378.605 3.547 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1C ZINC001203898414 1027692579 /nfs/dbraw/zinc/69/25/79/1027692579.db2.gz WYBBYSOGVLKNAJ-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1 ZINC001203923842 1027716027 /nfs/dbraw/zinc/71/60/27/1027716027.db2.gz HJIAXVZWUTWLOQ-UHFFFAOYSA-N 2 1 392.547 3.917 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c1OCO3)CC2 ZINC001141951575 1027735035 /nfs/dbraw/zinc/73/50/35/1027735035.db2.gz KFDXEOMYTPRNIF-NRFANRHFSA-N 2 1 394.515 3.671 20 0 GHADMP CCCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001203971277 1027772110 /nfs/dbraw/zinc/77/21/10/1027772110.db2.gz UJFOZBUXZVZXRK-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001203971277 1027772116 /nfs/dbraw/zinc/77/21/16/1027772116.db2.gz UJFOZBUXZVZXRK-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001203971277 1027772123 /nfs/dbraw/zinc/77/21/23/1027772123.db2.gz UJFOZBUXZVZXRK-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001203971277 1027772136 /nfs/dbraw/zinc/77/21/36/1027772136.db2.gz UJFOZBUXZVZXRK-FGZHOGPDSA-N 2 1 382.552 3.553 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(OCC[NH3+])c2)CC[N@H+]1Cc1ccccc1 ZINC000841286630 1028372887 /nfs/dbraw/zinc/37/28/87/1028372887.db2.gz GDJBFTWDBGAZEJ-GHTZIAJQSA-N 2 1 396.535 3.541 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)c1 ZINC001142243932 1028456962 /nfs/dbraw/zinc/45/69/62/1028456962.db2.gz GHNSTGYKXZNUMU-DEOSSOPVSA-N 2 1 393.575 3.709 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC001142243932 1028456964 /nfs/dbraw/zinc/45/69/64/1028456964.db2.gz GHNSTGYKXZNUMU-DEOSSOPVSA-N 2 1 393.575 3.709 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001142243932 1028456966 /nfs/dbraw/zinc/45/69/66/1028456966.db2.gz GHNSTGYKXZNUMU-DEOSSOPVSA-N 2 1 393.575 3.709 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3-c3ccccc3)CC[C@@H]2C1 ZINC001142335041 1028715981 /nfs/dbraw/zinc/71/59/81/1028715981.db2.gz REJACTJJKFOAEB-ISKFKSNPSA-N 2 1 380.532 3.523 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3-c3ccccc3)CC[C@@H]2C1 ZINC001142335041 1028715991 /nfs/dbraw/zinc/71/59/91/1028715991.db2.gz REJACTJJKFOAEB-ISKFKSNPSA-N 2 1 380.532 3.523 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3-c3ccccc3)CC[C@@H]2C1 ZINC001142335041 1028716006 /nfs/dbraw/zinc/71/60/06/1028716006.db2.gz REJACTJJKFOAEB-ISKFKSNPSA-N 2 1 380.532 3.523 20 0 GHADMP C[C@@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679362 1029483895 /nfs/dbraw/zinc/48/38/95/1029483895.db2.gz LYRJAVXREZZHOI-DENIHFKCSA-N 2 1 386.486 3.959 20 0 GHADMP C[C@@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1F ZINC000842679362 1029483907 /nfs/dbraw/zinc/48/39/07/1029483907.db2.gz LYRJAVXREZZHOI-DENIHFKCSA-N 2 1 386.486 3.959 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1=O ZINC001461546244 1069602630 /nfs/dbraw/zinc/60/26/30/1069602630.db2.gz CVQHSNNYJXZEPL-NRFANRHFSA-N 2 1 389.543 3.930 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1=O ZINC001461546244 1069602636 /nfs/dbraw/zinc/60/26/36/1069602636.db2.gz CVQHSNNYJXZEPL-NRFANRHFSA-N 2 1 389.543 3.930 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000842921583 1029686055 /nfs/dbraw/zinc/68/60/55/1029686055.db2.gz QKKSRRZDKDZZAR-ZRNYENFQSA-N 2 1 394.506 3.679 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccn3ccnc13)CC2 ZINC001142952523 1029728263 /nfs/dbraw/zinc/72/82/63/1029728263.db2.gz VSOXFNSRQKYRKS-LJQANCHMSA-N 2 1 396.560 3.651 20 0 GHADMP C[N@H+]1CCCN(c2ccc(-c3noc(-c4ccc(C[NH3+])cc4)n3)cc2Cl)CC1 ZINC000843206337 1029851955 /nfs/dbraw/zinc/85/19/55/1029851955.db2.gz MVBSIHKMTJEPNH-UHFFFAOYSA-N 2 1 397.910 3.658 20 0 GHADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)c1 ZINC001461584396 1069623140 /nfs/dbraw/zinc/62/31/40/1069623140.db2.gz IZXVNUVPEPMJPJ-NFBKMPQASA-N 2 1 386.511 3.851 20 0 GHADMP CCOc1cc(F)cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)c1 ZINC001461584396 1069623143 /nfs/dbraw/zinc/62/31/43/1069623143.db2.gz IZXVNUVPEPMJPJ-NFBKMPQASA-N 2 1 386.511 3.851 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc2c(c1C)c(C)ccc2C ZINC001143140723 1029865760 /nfs/dbraw/zinc/86/57/60/1029865760.db2.gz UUAVNTKPWVFQSB-IBGZPJMESA-N 2 1 385.552 3.846 20 0 GHADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)[C@H](c2ccccc2)C1 ZINC001461590352 1069626016 /nfs/dbraw/zinc/62/60/16/1069626016.db2.gz PSVYOTDWBRRHSG-CTNGQTDRSA-N 2 1 399.966 3.612 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)[C@H](c2ccccc2)C1 ZINC001461590352 1069626020 /nfs/dbraw/zinc/62/60/20/1069626020.db2.gz PSVYOTDWBRRHSG-CTNGQTDRSA-N 2 1 399.966 3.612 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CCCC1)c1ccccc1 ZINC001221976210 1029914827 /nfs/dbraw/zinc/91/48/27/1029914827.db2.gz RMQZWMZHEXDLAO-LJQANCHMSA-N 2 1 386.584 3.681 20 0 GHADMP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000843354731 1029933727 /nfs/dbraw/zinc/93/37/27/1029933727.db2.gz FOBURTAKFNMZHI-AOMIVXANSA-N 2 1 385.939 3.747 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)s1 ZINC001222148467 1029979222 /nfs/dbraw/zinc/97/92/22/1029979222.db2.gz POAYCSZZCSCXEN-IBGZPJMESA-N 2 1 377.941 3.951 20 0 GHADMP Clc1ncc(COc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)s1 ZINC001222148467 1029979226 /nfs/dbraw/zinc/97/92/26/1029979226.db2.gz POAYCSZZCSCXEN-IBGZPJMESA-N 2 1 377.941 3.951 20 0 GHADMP Cn1c2ccccc2c(Cl)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1=O ZINC001222167212 1029984369 /nfs/dbraw/zinc/98/43/69/1029984369.db2.gz ICICPFMXSQTOJX-JOCHJYFZSA-N 2 1 387.955 3.938 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167593 1029985326 /nfs/dbraw/zinc/98/53/26/1029985326.db2.gz OTQPKTIQVVMIAF-OAQYLSRUSA-N 3 1 376.614 3.664 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222167593 1029985328 /nfs/dbraw/zinc/98/53/28/1029985328.db2.gz OTQPKTIQVVMIAF-OAQYLSRUSA-N 2 1 376.614 3.664 20 0 GHADMP C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001222211097 1030008596 /nfs/dbraw/zinc/00/85/96/1030008596.db2.gz KQVIDJJPZXKALD-CUXKYVRBSA-N 2 1 388.600 3.735 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1CCCc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC001222215266 1030009976 /nfs/dbraw/zinc/00/99/76/1030009976.db2.gz AYAJVJZWWCRMLG-SFHVURJKSA-N 2 1 398.469 3.645 20 0 GHADMP Brc1ccc2ccccc2c1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407965 1030112847 /nfs/dbraw/zinc/11/28/47/1030112847.db2.gz UCJUBIRAKYELLX-UHFFFAOYSA-N 2 1 389.337 3.804 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2CCOc2ccccc2)cc1 ZINC001222575728 1030207799 /nfs/dbraw/zinc/20/77/99/1030207799.db2.gz PIOHLGVSKCUOCP-QFIPXVFZSA-N 2 1 380.532 3.869 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2CCCc2ccncc2)cc1 ZINC001222576198 1030208249 /nfs/dbraw/zinc/20/82/49/1030208249.db2.gz RQOGOZQEJDAODS-QHCPKHFHSA-N 2 1 379.548 3.818 20 0 GHADMP COc1cc(O)ccc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222583489 1030212641 /nfs/dbraw/zinc/21/26/41/1030212641.db2.gz OGTOZHBWEGBNET-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP COc1cc(O)ccc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222583489 1030212653 /nfs/dbraw/zinc/21/26/53/1030212653.db2.gz OGTOZHBWEGBNET-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP OCCc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222590769 1030215040 /nfs/dbraw/zinc/21/50/40/1030215040.db2.gz NACPZULPIXMJBM-XMMPIXPASA-N 2 1 394.559 3.525 20 0 GHADMP c1[nH]nc2c1cccc2C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590905 1030218494 /nfs/dbraw/zinc/21/84/94/1030218494.db2.gz OTRWYPGFJTZYEV-QFIPXVFZSA-N 2 1 390.531 3.866 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1C(F)(F)F ZINC001222609777 1030234630 /nfs/dbraw/zinc/23/46/30/1030234630.db2.gz QVSNFVQMYXXQPL-GOSISDBHSA-N 2 1 376.422 3.903 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1C(F)(F)F ZINC001222609777 1030234640 /nfs/dbraw/zinc/23/46/40/1030234640.db2.gz QVSNFVQMYXXQPL-GOSISDBHSA-N 2 1 376.422 3.903 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC001222666208 1030269385 /nfs/dbraw/zinc/26/93/85/1030269385.db2.gz MINWEPOFNIYXGD-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP [NH3+][C@H](Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)c1ccccc1Cl ZINC001217733604 1030635780 /nfs/dbraw/zinc/63/57/80/1030635780.db2.gz RTGWZXGOAAJCRH-VQIMIIECSA-N 2 1 382.895 3.955 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2cccc(N4CC[NH2+]CC4)c2)C3)cc1 ZINC001218343599 1030904392 /nfs/dbraw/zinc/90/43/92/1030904392.db2.gz ILUCCKOFPOPCAP-ACHVPNTGSA-N 2 1 377.532 3.671 20 0 GHADMP CN(CC1CC[NH+](C)CC1)C(=O)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001151812647 1031010653 /nfs/dbraw/zinc/01/06/53/1031010653.db2.gz UJRHWKXDZAIDLW-UHFFFAOYSA-N 2 1 377.532 3.616 20 0 GHADMP CN(CC1CC[NH+](C)CC1)C(=O)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001151812647 1031010660 /nfs/dbraw/zinc/01/06/60/1031010660.db2.gz UJRHWKXDZAIDLW-UHFFFAOYSA-N 2 1 377.532 3.616 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001152023953 1031080255 /nfs/dbraw/zinc/08/02/55/1031080255.db2.gz ZTQWGJZFBNEVEU-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001152023953 1031080271 /nfs/dbraw/zinc/08/02/71/1031080271.db2.gz ZTQWGJZFBNEVEU-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001152023953 1031080290 /nfs/dbraw/zinc/08/02/90/1031080290.db2.gz ZTQWGJZFBNEVEU-GMAHTHKFSA-N 2 1 383.580 3.812 20 0 GHADMP Cc1ccc2ccccc2c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218812450 1031089850 /nfs/dbraw/zinc/08/98/50/1031089850.db2.gz UIGIQYHKVUGAEU-QFIPXVFZSA-N 2 1 385.511 3.808 20 0 GHADMP Cc1ccc2ccccc2c1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218812450 1031089865 /nfs/dbraw/zinc/08/98/65/1031089865.db2.gz UIGIQYHKVUGAEU-QFIPXVFZSA-N 2 1 385.511 3.808 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001219023400 1031217215 /nfs/dbraw/zinc/21/72/15/1031217215.db2.gz AXERWDHHIRWVFA-GGAORHGYSA-N 2 1 398.595 3.606 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1)C1CCCCC1 ZINC001219024028 1031218669 /nfs/dbraw/zinc/21/86/69/1031218669.db2.gz PBSNPIGDHGKULO-CTNGQTDRSA-N 2 1 387.568 3.935 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)cccc2[C@@H](c2ccccc2)C1 ZINC001219047405 1031230414 /nfs/dbraw/zinc/23/04/14/1031230414.db2.gz XMKLGSMIUBQZDV-RCZVLFRGSA-N 2 1 397.522 3.917 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)Nc1cccc(N2CC[NH2+]CC2)c1)c1ccccc1 ZINC001219119154 1031260958 /nfs/dbraw/zinc/26/09/58/1031260958.db2.gz UKZPTKUOIWUXLE-HSZRJFAPSA-N 2 1 394.563 3.898 20 0 GHADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CC12CCCCC2 ZINC001219726926 1031580337 /nfs/dbraw/zinc/58/03/37/1031580337.db2.gz RYTWHXJZAOFCFE-YADHBBJMSA-N 2 1 395.591 3.575 20 0 GHADMP CSc1cccc(Cl)c1C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277106735 1031841908 /nfs/dbraw/zinc/84/19/08/1031841908.db2.gz CLKHZVQHTCZXEM-FQEVSTJZSA-N 2 1 396.000 3.581 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001229185332 1033327299 /nfs/dbraw/zinc/32/72/99/1033327299.db2.gz JTBUIEFQGWXCOG-UNWVZKJWSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001229185332 1033327315 /nfs/dbraw/zinc/32/73/15/1033327315.db2.gz JTBUIEFQGWXCOG-UNWVZKJWSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001229185332 1033327331 /nfs/dbraw/zinc/32/73/31/1033327331.db2.gz JTBUIEFQGWXCOG-UNWVZKJWSA-N 2 1 398.595 3.603 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001205315344 1033356308 /nfs/dbraw/zinc/35/63/08/1033356308.db2.gz DWVMBLFOJXOUJR-YLJYHZDGSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001205315344 1033356320 /nfs/dbraw/zinc/35/63/20/1033356320.db2.gz DWVMBLFOJXOUJR-YLJYHZDGSA-N 2 1 384.520 3.700 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CCN(c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001157074530 1033401656 /nfs/dbraw/zinc/40/16/56/1033401656.db2.gz IWFFCBJIANZZPE-UHFFFAOYSA-N 2 1 383.515 3.707 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001157074530 1033401666 /nfs/dbraw/zinc/40/16/66/1033401666.db2.gz IWFFCBJIANZZPE-UHFFFAOYSA-N 2 1 383.515 3.707 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2cc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001157075140 1033403124 /nfs/dbraw/zinc/40/31/24/1033403124.db2.gz YWFMWVDQEDKQGT-UHFFFAOYSA-N 2 1 388.918 3.621 20 0 GHADMP CCOC(=O)N1CC[C@@H]([NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001205457053 1033421095 /nfs/dbraw/zinc/42/10/95/1033421095.db2.gz OYFVAJFDAJHTSK-OFNKIYASSA-N 2 1 387.568 3.745 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205582713 1033479095 /nfs/dbraw/zinc/47/90/95/1033479095.db2.gz YGEYLOWCUGBMSO-LJQANCHMSA-N 2 1 381.879 3.651 20 0 GHADMP CCOc1ccc(Br)c(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205591177 1033482830 /nfs/dbraw/zinc/48/28/30/1033482830.db2.gz GFDGAJHGOGAZGG-MRXNPFEDSA-N 2 1 377.273 3.640 20 0 GHADMP CCOc1ccc(Br)c(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c1F ZINC001205591177 1033482837 /nfs/dbraw/zinc/48/28/37/1033482837.db2.gz GFDGAJHGOGAZGG-MRXNPFEDSA-N 2 1 377.273 3.640 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(I)c2)CC[C@@H]1C[NH3+] ZINC001205639513 1033507207 /nfs/dbraw/zinc/50/72/07/1033507207.db2.gz ZQRFZCFDCOMZFE-WCQYABFASA-N 2 1 392.712 3.751 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC[C@H]1C[NH3+] ZINC001205651475 1033511502 /nfs/dbraw/zinc/51/15/02/1033511502.db2.gz FMTQRMVTVZNJCB-XLIONFOSSA-N 2 1 382.504 3.801 20 0 GHADMP Cc1cc(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn2ccnc12 ZINC001205706084 1033539753 /nfs/dbraw/zinc/53/97/53/1033539753.db2.gz ZWUPGLBIEFDQEW-HXUWFJFHSA-N 2 1 377.492 3.771 20 0 GHADMP C[NH+](C)CCOc1cc(F)ccc1Nc1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001205830753 1033596090 /nfs/dbraw/zinc/59/60/90/1033596090.db2.gz DZDDNPRFCODXGU-UHFFFAOYSA-N 2 1 399.510 3.831 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001157451356 1033599164 /nfs/dbraw/zinc/59/91/64/1033599164.db2.gz AIGNUOYHTWUVHR-CVEARBPZSA-N 2 1 385.512 3.532 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 ZINC001157494869 1033618839 /nfs/dbraw/zinc/61/88/39/1033618839.db2.gz CVJPDJKLMNGGHG-RBUKOAKNSA-N 2 1 391.437 3.611 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 ZINC001157494869 1033618848 /nfs/dbraw/zinc/61/88/48/1033618848.db2.gz CVJPDJKLMNGGHG-RBUKOAKNSA-N 2 1 391.437 3.611 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc1 ZINC001205912403 1033632486 /nfs/dbraw/zinc/63/24/86/1033632486.db2.gz ADZJSQCJDFDLIC-XLIONFOSSA-N 2 1 382.504 3.611 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cnccn2)C2CC[NH2+]CC2)nc1 ZINC001157544183 1033648908 /nfs/dbraw/zinc/64/89/08/1033648908.db2.gz FUCLXEMGEHBMCX-HXUWFJFHSA-N 2 1 380.540 3.699 20 0 GHADMP CC(C)n1c2ccccc2c(-c2ccc(F)cc2)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205967048 1033659025 /nfs/dbraw/zinc/65/90/25/1033659025.db2.gz HNWKNKSPNBYWHB-DENIHFKCSA-N 2 1 381.495 3.922 20 0 GHADMP CC(C)n1c2ccccc2c(-c2ccc(F)cc2)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205967048 1033659038 /nfs/dbraw/zinc/65/90/38/1033659038.db2.gz HNWKNKSPNBYWHB-DENIHFKCSA-N 2 1 381.495 3.922 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1OC(=O)c1cccs1 ZINC001205997065 1033675927 /nfs/dbraw/zinc/67/59/27/1033675927.db2.gz ZIXCMTRTJWSWPN-RDJZCZTQSA-N 2 1 388.533 3.783 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(C)c1I ZINC001206036604 1033696191 /nfs/dbraw/zinc/69/61/91/1033696191.db2.gz LWBFGUKJMJFUEC-ZBFHGGJFSA-N 2 1 386.321 3.715 20 0 GHADMP Cc1nc2c(c(OC3CC[NH+](C(C)(C)C)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229845366 1033749027 /nfs/dbraw/zinc/74/90/27/1033749027.db2.gz HDHOFXVXXNJFNP-UHFFFAOYSA-N 2 1 394.563 3.985 20 0 GHADMP Cc1nc2c(c(OC3CC[NH+](C(C)(C)C)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229845366 1033749043 /nfs/dbraw/zinc/74/90/43/1033749043.db2.gz HDHOFXVXXNJFNP-UHFFFAOYSA-N 2 1 394.563 3.985 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc(C)c1I ZINC001206326821 1033797322 /nfs/dbraw/zinc/79/73/22/1033797322.db2.gz PKHKBZWEKACUGJ-KRWDZBQOSA-N 2 1 386.321 3.859 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3cccn3)c(Br)c2)C1 ZINC001206573544 1033912139 /nfs/dbraw/zinc/91/21/39/1033912139.db2.gz NAEGQPYXLZZLBG-SFHVURJKSA-N 2 1 377.330 3.586 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3cccn3)c(Br)c2)C1 ZINC001206573544 1033912145 /nfs/dbraw/zinc/91/21/45/1033912145.db2.gz NAEGQPYXLZZLBG-SFHVURJKSA-N 2 1 377.330 3.586 20 0 GHADMP CSc1ncc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001206581000 1033914073 /nfs/dbraw/zinc/91/40/73/1033914073.db2.gz HBNURPJPPFXWPB-SFHVURJKSA-N 2 1 377.602 3.906 20 0 GHADMP CSc1ncc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001206581000 1033914075 /nfs/dbraw/zinc/91/40/75/1033914075.db2.gz HBNURPJPPFXWPB-SFHVURJKSA-N 2 1 377.602 3.906 20 0 GHADMP c1cc(S[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC001206717463 1033957121 /nfs/dbraw/zinc/95/71/21/1033957121.db2.gz UVCSLPWETVAKKE-JOCHJYFZSA-N 2 1 383.561 3.671 20 0 GHADMP c1cc(S[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC001206717463 1033957125 /nfs/dbraw/zinc/95/71/25/1033957125.db2.gz UVCSLPWETVAKKE-JOCHJYFZSA-N 2 1 383.561 3.671 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC001230464952 1034074857 /nfs/dbraw/zinc/07/48/57/1034074857.db2.gz KFWWSNGECKWPIL-XZOQPEGZSA-N 2 1 398.595 3.654 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC001230464952 1034074864 /nfs/dbraw/zinc/07/48/64/1034074864.db2.gz KFWWSNGECKWPIL-XZOQPEGZSA-N 2 1 398.595 3.654 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1 ZINC001207200205 1034171414 /nfs/dbraw/zinc/17/14/14/1034171414.db2.gz XWVIKWGAKHNPBM-OPYAIIAOSA-N 2 1 390.955 3.793 20 0 GHADMP CC1=CC[C@H](CC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1(C)C ZINC001207280239 1034233887 /nfs/dbraw/zinc/23/38/87/1034233887.db2.gz QYGYDMFUYNWPLI-DNVJHFABSA-N 2 1 383.580 3.987 20 0 GHADMP CC1=CC[C@H](CC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1(C)C ZINC001207280239 1034233899 /nfs/dbraw/zinc/23/38/99/1034233899.db2.gz QYGYDMFUYNWPLI-DNVJHFABSA-N 2 1 383.580 3.987 20 0 GHADMP CC1=CC[C@H](CC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1(C)C ZINC001207280239 1034233909 /nfs/dbraw/zinc/23/39/09/1034233909.db2.gz QYGYDMFUYNWPLI-DNVJHFABSA-N 2 1 383.580 3.987 20 0 GHADMP c1ccc(CC[NH+]2CCN(CC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001207291754 1034244160 /nfs/dbraw/zinc/24/41/60/1034244160.db2.gz XLCKDDXOZFDRSX-UHFFFAOYSA-N 2 1 377.576 3.759 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)CC2)cc1 ZINC001207292351 1034244269 /nfs/dbraw/zinc/24/42/69/1034244269.db2.gz OZSJNPKFVYLNIX-XMMPIXPASA-N 2 1 380.532 3.678 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001230887467 1034273237 /nfs/dbraw/zinc/27/32/37/1034273237.db2.gz ZFFHISCPZSGZPK-HLAWJBBLSA-N 2 1 386.584 3.726 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001230887467 1034273253 /nfs/dbraw/zinc/27/32/53/1034273253.db2.gz ZFFHISCPZSGZPK-HLAWJBBLSA-N 2 1 386.584 3.726 20 0 GHADMP CC1(C)C[C@@H](C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CCO1 ZINC001207357247 1034302325 /nfs/dbraw/zinc/30/23/25/1034302325.db2.gz LMGCRBOBWLZFAV-FIXSFTCYSA-N 2 1 390.612 3.652 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)CCO1 ZINC001207357247 1034302335 /nfs/dbraw/zinc/30/23/35/1034302335.db2.gz LMGCRBOBWLZFAV-FIXSFTCYSA-N 2 1 390.612 3.652 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)CCO1 ZINC001207357247 1034302349 /nfs/dbraw/zinc/30/23/49/1034302349.db2.gz LMGCRBOBWLZFAV-FIXSFTCYSA-N 2 1 390.612 3.652 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001207375911 1034318830 /nfs/dbraw/zinc/31/88/30/1034318830.db2.gz QTJMQDBSOMHONQ-QFIPXVFZSA-N 2 1 399.579 3.909 20 0 GHADMP COc1ccccc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001207455643 1034375373 /nfs/dbraw/zinc/37/53/73/1034375373.db2.gz DTSDFWOOBWWDQA-WWNPGLIZSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001207455643 1034375385 /nfs/dbraw/zinc/37/53/85/1034375385.db2.gz DTSDFWOOBWWDQA-WWNPGLIZSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001207455643 1034375402 /nfs/dbraw/zinc/37/54/02/1034375402.db2.gz DTSDFWOOBWWDQA-WWNPGLIZSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001207455643 1034375414 /nfs/dbraw/zinc/37/54/14/1034375414.db2.gz DTSDFWOOBWWDQA-WWNPGLIZSA-N 2 1 379.548 3.865 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](CCC3CC[NH+](C)CC3)C[C@H]21 ZINC001207481342 1034392146 /nfs/dbraw/zinc/39/21/46/1034392146.db2.gz BZVWWUWWVFAVCT-QUCCMNQESA-N 2 1 382.527 3.530 20 0 GHADMP Nc1[nH+]cccc1N(Cc1cccc(Br)c1)C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159229762 1034495486 /nfs/dbraw/zinc/49/54/86/1034495486.db2.gz HHKHBFJPJBWGIA-CVEARBPZSA-N 2 1 385.309 3.841 20 0 GHADMP C[C@H]1C[C@@H](c2ccncc2Nc2cccc(C[NH+]3CCN(C)CC3)c2)C[C@@H]([NH3+])C1 ZINC001159391305 1034575922 /nfs/dbraw/zinc/57/59/22/1034575922.db2.gz QPNCLWWBHRQKST-TYPHKJRUSA-N 2 1 393.579 3.804 20 0 GHADMP CCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207838444 1034616866 /nfs/dbraw/zinc/61/68/66/1034616866.db2.gz YLAPCBBBGLJJRU-CEXWTWQISA-N 2 1 379.589 3.734 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1C ZINC001231482730 1034626388 /nfs/dbraw/zinc/62/63/88/1034626388.db2.gz BTTBITNACRVOQX-VJBWXMMDSA-N 2 1 381.568 3.577 20 0 GHADMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1C ZINC001231482730 1034626399 /nfs/dbraw/zinc/62/63/99/1034626399.db2.gz BTTBITNACRVOQX-VJBWXMMDSA-N 2 1 381.568 3.577 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1C ZINC001231482730 1034626418 /nfs/dbraw/zinc/62/64/18/1034626418.db2.gz BTTBITNACRVOQX-VJBWXMMDSA-N 2 1 381.568 3.577 20 0 GHADMP CCc1cc(NC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc(C)[nH+]1 ZINC001159521027 1034637065 /nfs/dbraw/zinc/63/70/65/1034637065.db2.gz SLNSHVWDPWVFFF-QHCPKHFHSA-N 2 1 390.531 3.823 20 0 GHADMP Brc1c[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001231574057 1034724720 /nfs/dbraw/zinc/72/47/20/1034724720.db2.gz FJHOXEHDYHEOOU-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108853 1034738755 /nfs/dbraw/zinc/73/87/55/1034738755.db2.gz GOFDKGKFFVWNSU-IBGZPJMESA-N 2 1 391.625 3.535 20 0 GHADMP CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CC1(C)CC[NH+](C)CC1)CC2 ZINC001208108853 1034738766 /nfs/dbraw/zinc/73/87/66/1034738766.db2.gz GOFDKGKFFVWNSU-IBGZPJMESA-N 2 1 391.625 3.535 20 0 GHADMP COCCCOc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccc1OC ZINC001231609610 1034765278 /nfs/dbraw/zinc/76/52/78/1034765278.db2.gz CDDWCZWBXBZLPK-LEWJYISDSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1cc(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)ccc1OC ZINC001231609610 1034765291 /nfs/dbraw/zinc/76/52/91/1034765291.db2.gz CDDWCZWBXBZLPK-LEWJYISDSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)ccc1OC ZINC001231609610 1034765305 /nfs/dbraw/zinc/76/53/05/1034765305.db2.gz CDDWCZWBXBZLPK-LEWJYISDSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1cc(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)ccc1OC ZINC001231609610 1034765320 /nfs/dbraw/zinc/76/53/20/1034765320.db2.gz CDDWCZWBXBZLPK-LEWJYISDSA-N 2 1 390.568 3.949 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)CCCC1 ZINC001208184763 1034781144 /nfs/dbraw/zinc/78/11/44/1034781144.db2.gz FPUYWRGVJCAOAX-ROUUACIJSA-N 2 1 397.579 3.683 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001231739330 1034873467 /nfs/dbraw/zinc/87/34/67/1034873467.db2.gz QDYYKXAURZCWPA-UHFFFAOYSA-N 2 1 381.564 3.840 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3-c3ccccc3C)CC[C@@H]2C1 ZINC001231807094 1034921884 /nfs/dbraw/zinc/92/18/84/1034921884.db2.gz IFYPUCJZLWJLCS-RCZVLFRGSA-N 2 1 394.559 3.831 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3-c3ccccc3C)CC[C@@H]2C1 ZINC001231807094 1034921887 /nfs/dbraw/zinc/92/18/87/1034921887.db2.gz IFYPUCJZLWJLCS-RCZVLFRGSA-N 2 1 394.559 3.831 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3-c3ccccc3C)CC[C@@H]2C1 ZINC001231807094 1034921891 /nfs/dbraw/zinc/92/18/91/1034921891.db2.gz IFYPUCJZLWJLCS-RCZVLFRGSA-N 2 1 394.559 3.831 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208609240 1034952997 /nfs/dbraw/zinc/95/29/97/1034952997.db2.gz ZPQHRZWBCZKVFO-UFYCRDLUSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208609240 1034953005 /nfs/dbraw/zinc/95/30/05/1034953005.db2.gz ZPQHRZWBCZKVFO-UFYCRDLUSA-N 2 1 379.589 3.687 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208622635 1034956499 /nfs/dbraw/zinc/95/64/99/1034956499.db2.gz BPVDWLLZZYYMJC-UHFFFAOYSA-N 2 1 391.531 3.589 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208622635 1034956502 /nfs/dbraw/zinc/95/65/02/1034956502.db2.gz BPVDWLLZZYYMJC-UHFFFAOYSA-N 2 1 391.531 3.589 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208624825 1034958932 /nfs/dbraw/zinc/95/89/32/1034958932.db2.gz QQQBWDLGGNUFLX-FGZHOGPDSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208624825 1034958937 /nfs/dbraw/zinc/95/89/37/1034958937.db2.gz QQQBWDLGGNUFLX-FGZHOGPDSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001208624825 1034958941 /nfs/dbraw/zinc/95/89/41/1034958941.db2.gz QQQBWDLGGNUFLX-FGZHOGPDSA-N 2 1 399.579 3.697 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC001231907642 1034983389 /nfs/dbraw/zinc/98/33/89/1034983389.db2.gz WYYXOEAATFQNGQ-XKCSPQBFSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC001231907642 1034983393 /nfs/dbraw/zinc/98/33/93/1034983393.db2.gz WYYXOEAATFQNGQ-XKCSPQBFSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC001231907642 1034983396 /nfs/dbraw/zinc/98/33/96/1034983396.db2.gz WYYXOEAATFQNGQ-XKCSPQBFSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC001231907642 1034983401 /nfs/dbraw/zinc/98/34/01/1034983401.db2.gz WYYXOEAATFQNGQ-XKCSPQBFSA-N 2 1 375.520 3.690 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCc3ccc(Cl)cc3)CC[C@@H]21 ZINC001208743197 1034993769 /nfs/dbraw/zinc/99/37/69/1034993769.db2.gz GBXRONOPKBJILQ-HJNYFJLDSA-N 2 1 386.971 3.952 20 0 GHADMP c1ccc(COCCOCC[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001208749627 1034996882 /nfs/dbraw/zinc/99/68/82/1034996882.db2.gz DDFPCXNRFQTRQI-JWQCQUIFSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001208749627 1034996888 /nfs/dbraw/zinc/99/68/88/1034996888.db2.gz DDFPCXNRFQTRQI-JWQCQUIFSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001208749627 1034996892 /nfs/dbraw/zinc/99/68/92/1034996892.db2.gz DDFPCXNRFQTRQI-JWQCQUIFSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001208749627 1034996896 /nfs/dbraw/zinc/99/68/96/1034996896.db2.gz DDFPCXNRFQTRQI-JWQCQUIFSA-N 2 1 394.559 3.674 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001208758704 1035003381 /nfs/dbraw/zinc/00/33/81/1035003381.db2.gz OJGATESEPDVSNT-FCHUYYIVSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001208758704 1035003385 /nfs/dbraw/zinc/00/33/85/1035003385.db2.gz OJGATESEPDVSNT-FCHUYYIVSA-N 2 1 380.532 3.700 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001208758704 1035003390 /nfs/dbraw/zinc/00/33/90/1035003390.db2.gz OJGATESEPDVSNT-FCHUYYIVSA-N 2 1 380.532 3.700 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCc2ccccc2C1 ZINC001160685226 1035035778 /nfs/dbraw/zinc/03/57/78/1035035778.db2.gz HKBJVCBOIAQKEM-CVDCTZTESA-N 2 1 391.559 3.672 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@@H+]1CCc2ccccc2C1 ZINC001160685226 1035035789 /nfs/dbraw/zinc/03/57/89/1035035789.db2.gz HKBJVCBOIAQKEM-CVDCTZTESA-N 2 1 391.559 3.672 20 0 GHADMP C[C@@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@H+]1CCc2ccccc2C1 ZINC001160685226 1035035800 /nfs/dbraw/zinc/03/58/00/1035035800.db2.gz HKBJVCBOIAQKEM-CVDCTZTESA-N 2 1 391.559 3.672 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cc3ccncc3[nH]1)CC2 ZINC001232089667 1035088518 /nfs/dbraw/zinc/08/85/18/1035088518.db2.gz LTVANNDZDGWVOU-UHFFFAOYSA-N 2 1 379.508 3.798 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208933726 1035098542 /nfs/dbraw/zinc/09/85/42/1035098542.db2.gz GDSJFYQFNGNXAZ-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208933726 1035098547 /nfs/dbraw/zinc/09/85/47/1035098547.db2.gz GDSJFYQFNGNXAZ-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208933726 1035098553 /nfs/dbraw/zinc/09/85/53/1035098553.db2.gz GDSJFYQFNGNXAZ-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP C[C@](O)(C1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC001208938688 1035107077 /nfs/dbraw/zinc/10/70/77/1035107077.db2.gz DCTGZQGWDQJBOR-ICSRJNTNSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@](O)(C1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC001208938688 1035107081 /nfs/dbraw/zinc/10/70/81/1035107081.db2.gz DCTGZQGWDQJBOR-ICSRJNTNSA-N 2 1 384.486 3.924 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208940405 1035109757 /nfs/dbraw/zinc/10/97/57/1035109757.db2.gz CQTURUKNWVKZRP-SFTDATJTSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940405 1035109766 /nfs/dbraw/zinc/10/97/66/1035109766.db2.gz CQTURUKNWVKZRP-SFTDATJTSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940405 1035109772 /nfs/dbraw/zinc/10/97/72/1035109772.db2.gz CQTURUKNWVKZRP-SFTDATJTSA-N 2 1 399.579 3.697 20 0 GHADMP O=C1N(CC2CC2)CCC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208942107 1035111065 /nfs/dbraw/zinc/11/10/65/1035111065.db2.gz GSSDZMUEBYDQGA-QHCPKHFHSA-N 2 1 395.591 3.623 20 0 GHADMP FC(F)(F)c1nc(C2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)no1 ZINC001208949318 1035120271 /nfs/dbraw/zinc/12/02/71/1035120271.db2.gz KUPKRPRMVFAYDI-MRXNPFEDSA-N 2 1 394.441 3.790 20 0 GHADMP FC(F)(F)c1nc(C2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC001208949318 1035120274 /nfs/dbraw/zinc/12/02/74/1035120274.db2.gz KUPKRPRMVFAYDI-MRXNPFEDSA-N 2 1 394.441 3.790 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@@H]32)cc1 ZINC001208949937 1035120319 /nfs/dbraw/zinc/12/03/19/1035120319.db2.gz ORZXFXCQAVRLHL-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)C2)cc1 ZINC001208949937 1035120323 /nfs/dbraw/zinc/12/03/23/1035120323.db2.gz ORZXFXCQAVRLHL-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)C2)cc1 ZINC001208949937 1035120328 /nfs/dbraw/zinc/12/03/28/1035120328.db2.gz ORZXFXCQAVRLHL-GVAUOCQISA-N 2 1 375.560 3.715 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001232144898 1035121629 /nfs/dbraw/zinc/12/16/29/1035121629.db2.gz NMJISSFUCBQCCP-MOPGFXCFSA-N 2 1 391.531 3.576 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001232145175 1035122495 /nfs/dbraw/zinc/12/24/95/1035122495.db2.gz XAJIEZKNJPETHN-QFIPXVFZSA-N 2 1 391.531 3.863 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001232145175 1035122501 /nfs/dbraw/zinc/12/25/01/1035122501.db2.gz XAJIEZKNJPETHN-QFIPXVFZSA-N 2 1 391.531 3.863 20 0 GHADMP C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001161046549 1035124907 /nfs/dbraw/zinc/12/49/07/1035124907.db2.gz MTVWOKPKXJPSIK-UYAOXDASSA-N 2 1 379.548 3.823 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c1 ZINC001232146755 1035125039 /nfs/dbraw/zinc/12/50/39/1035125039.db2.gz GMLRJPQKJIUSAO-AWEZNQCLSA-N 2 1 386.393 3.669 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)c1 ZINC001232146755 1035125044 /nfs/dbraw/zinc/12/50/44/1035125044.db2.gz GMLRJPQKJIUSAO-AWEZNQCLSA-N 2 1 386.393 3.669 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4cc(F)cc(C[NH+](C)C)c4)C3)CC2=O)cc1 ZINC001232148246 1035126361 /nfs/dbraw/zinc/12/63/61/1035126361.db2.gz ZVXMLQXFXLQZSK-DEOSSOPVSA-N 2 1 395.522 3.825 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232147652 1035126429 /nfs/dbraw/zinc/12/64/29/1035126429.db2.gz DLWMDOMOHDRJRS-UHFFFAOYSA-N 3 1 396.554 3.770 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232147652 1035126431 /nfs/dbraw/zinc/12/64/31/1035126431.db2.gz DLWMDOMOHDRJRS-UHFFFAOYSA-N 2 1 396.554 3.770 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001232147652 1035126435 /nfs/dbraw/zinc/12/64/35/1035126435.db2.gz DLWMDOMOHDRJRS-UHFFFAOYSA-N 2 1 396.554 3.770 20 0 GHADMP C[C@@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958528 1035129495 /nfs/dbraw/zinc/12/94/95/1035129495.db2.gz PSYWAXLSMNJOBX-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958528 1035129503 /nfs/dbraw/zinc/12/95/03/1035129503.db2.gz PSYWAXLSMNJOBX-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958528 1035129509 /nfs/dbraw/zinc/12/95/09/1035129509.db2.gz PSYWAXLSMNJOBX-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208958528 1035129518 /nfs/dbraw/zinc/12/95/18/1035129518.db2.gz PSYWAXLSMNJOBX-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151433 1035130273 /nfs/dbraw/zinc/13/02/73/1035130273.db2.gz NOOIDARYVWTQDK-KXBFYZLASA-N 2 1 379.520 3.765 20 0 GHADMP C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232151433 1035130279 /nfs/dbraw/zinc/13/02/79/1035130279.db2.gz NOOIDARYVWTQDK-KXBFYZLASA-N 2 1 379.520 3.765 20 0 GHADMP CC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232151101 1035130575 /nfs/dbraw/zinc/13/05/75/1035130575.db2.gz MOYSWFVDTUEVPO-QGZVFWFLSA-N 2 1 393.547 3.966 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001208991733 1035140198 /nfs/dbraw/zinc/14/01/98/1035140198.db2.gz ZKRLBQYUGMYEQX-IBGZPJMESA-N 2 1 389.540 3.577 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209002646 1035145003 /nfs/dbraw/zinc/14/50/03/1035145003.db2.gz IWQCSYGUWAUPMU-FQEVSTJZSA-N 2 1 391.531 3.731 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209008450 1035147817 /nfs/dbraw/zinc/14/78/17/1035147817.db2.gz WFBMXHLITYLBMF-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209008450 1035147824 /nfs/dbraw/zinc/14/78/24/1035147824.db2.gz WFBMXHLITYLBMF-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209008450 1035147831 /nfs/dbraw/zinc/14/78/31/1035147831.db2.gz WFBMXHLITYLBMF-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC001209144612 1035192338 /nfs/dbraw/zinc/19/23/38/1035192338.db2.gz HOXCAHZIYFOUQL-QPTUXGOLSA-N 2 1 391.559 3.792 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC001209144612 1035192341 /nfs/dbraw/zinc/19/23/41/1035192341.db2.gz HOXCAHZIYFOUQL-QPTUXGOLSA-N 2 1 391.559 3.792 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC001209144612 1035192345 /nfs/dbraw/zinc/19/23/45/1035192345.db2.gz HOXCAHZIYFOUQL-QPTUXGOLSA-N 2 1 391.559 3.792 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC001209144612 1035192347 /nfs/dbraw/zinc/19/23/47/1035192347.db2.gz HOXCAHZIYFOUQL-QPTUXGOLSA-N 2 1 391.559 3.792 20 0 GHADMP CCCc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCC([NH3+])CC4)C3)cc2)cc1 ZINC001161378952 1035219240 /nfs/dbraw/zinc/21/92/40/1035219240.db2.gz BULCCDKFDJCJEU-DEOSSOPVSA-N 2 1 391.559 3.944 20 0 GHADMP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001161489138 1035240016 /nfs/dbraw/zinc/24/00/16/1035240016.db2.gz KLAYQCCOFZZLFV-TZIWHRDSSA-N 2 1 377.960 3.845 20 0 GHADMP O=C(CC1CCC2(CC1)CC[NH+](CCC[NH+]1CCCCC1)CC2)N1CC=CC1 ZINC001209450722 1035277322 /nfs/dbraw/zinc/27/73/22/1035277322.db2.gz AZBLNQRWYHVWTA-UHFFFAOYSA-N 2 1 387.612 3.923 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503116 1035294899 /nfs/dbraw/zinc/29/48/99/1035294899.db2.gz SKKBCANPHBUBMQ-UEVCKROQSA-N 2 1 392.547 3.534 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cn3)OCCC4)C[C@H]21 ZINC001209503116 1035294904 /nfs/dbraw/zinc/29/49/04/1035294904.db2.gz SKKBCANPHBUBMQ-UEVCKROQSA-N 2 1 392.547 3.534 20 0 GHADMP Cn1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c2ccccc21 ZINC001209581032 1035317123 /nfs/dbraw/zinc/31/71/23/1035317123.db2.gz AUBLXSNCVLZRRJ-AVCGJXAMSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c2ccccc21 ZINC001209581032 1035317127 /nfs/dbraw/zinc/31/71/27/1035317127.db2.gz AUBLXSNCVLZRRJ-AVCGJXAMSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c2ccccc21 ZINC001209581032 1035317132 /nfs/dbraw/zinc/31/71/32/1035317132.db2.gz AUBLXSNCVLZRRJ-AVCGJXAMSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c2ccccc21 ZINC001209581032 1035317138 /nfs/dbraw/zinc/31/71/38/1035317138.db2.gz AUBLXSNCVLZRRJ-AVCGJXAMSA-N 2 1 389.547 3.701 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ncc(C(F)(F)F)cc2Cl)no1 ZINC001248194209 1035622971 /nfs/dbraw/zinc/62/29/71/1035622971.db2.gz HEPXHRRXJCWEGI-NSHDSACASA-N 2 1 377.798 3.536 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001248224021 1035656146 /nfs/dbraw/zinc/65/61/46/1035656146.db2.gz PBHKXCRJHZMHTB-ZLHNRXBCSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001462014661 1069946343 /nfs/dbraw/zinc/94/63/43/1069946343.db2.gz QVPNAYIRSBJEIH-BXMRJKBZSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001462014661 1069946347 /nfs/dbraw/zinc/94/63/47/1069946347.db2.gz QVPNAYIRSBJEIH-BXMRJKBZSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC001246008457 1037129799 /nfs/dbraw/zinc/12/97/99/1037129799.db2.gz SDYHDRXZGKYVNS-OAQYLSRUSA-N 2 1 382.548 3.592 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC001246015905 1037136582 /nfs/dbraw/zinc/13/65/82/1037136582.db2.gz IWFFVRPRNIXTBL-XUVXKRRUSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001246015905 1037136591 /nfs/dbraw/zinc/13/65/91/1037136591.db2.gz IWFFVRPRNIXTBL-XUVXKRRUSA-N 2 1 389.337 3.517 20 0 GHADMP Cc1ccc(F)cc1C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054786 1037168248 /nfs/dbraw/zinc/16/82/48/1037168248.db2.gz JPRFPCKXNYFLLS-OAQYLSRUSA-N 2 1 378.438 3.700 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054786 1037168259 /nfs/dbraw/zinc/16/82/59/1037168259.db2.gz JPRFPCKXNYFLLS-OAQYLSRUSA-N 2 1 378.438 3.700 20 0 GHADMP COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246069939 1037186736 /nfs/dbraw/zinc/18/67/36/1037186736.db2.gz ZOIUAZPAHIOPFZ-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246122364 1037201172 /nfs/dbraw/zinc/20/11/72/1037201172.db2.gz AGVQAWAACXCDAS-JPYJTQIMSA-N 2 1 383.580 3.758 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246122364 1037201187 /nfs/dbraw/zinc/20/11/87/1037201187.db2.gz AGVQAWAACXCDAS-JPYJTQIMSA-N 2 1 383.580 3.758 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123863 1037202272 /nfs/dbraw/zinc/20/22/72/1037202272.db2.gz VCSCLKABWKIUNH-NFBKMPQASA-N 3 1 395.566 3.848 20 0 GHADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246202343 1037235298 /nfs/dbraw/zinc/23/52/98/1037235298.db2.gz MVDQHMPRBBLYST-IBGZPJMESA-N 2 1 395.975 3.738 20 0 GHADMP COC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001246205061 1037237107 /nfs/dbraw/zinc/23/71/07/1037237107.db2.gz QVTZGNHKBJCRNX-VJFUWPCTSA-N 2 1 397.357 3.736 20 0 GHADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC[NH2+]CC2)cc1 ZINC001246207813 1037238352 /nfs/dbraw/zinc/23/83/52/1037238352.db2.gz CFNFPLBNHAEFDE-UHFFFAOYSA-N 3 1 381.539 3.701 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c2ccccc12 ZINC001246246319 1037251577 /nfs/dbraw/zinc/25/15/77/1037251577.db2.gz SVVKXFZZVYEYIS-ZILOHOTNSA-N 2 1 391.515 3.740 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246269200 1037266874 /nfs/dbraw/zinc/26/68/74/1037266874.db2.gz JPOROEWQLSKXCC-VKRLORBYSA-N 2 1 376.516 3.886 20 0 GHADMP C[C@@H]1CC[C@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C[NH2+]1 ZINC001246310174 1037289650 /nfs/dbraw/zinc/28/96/50/1037289650.db2.gz FWNMKDPIKSBBPZ-AGHHOFFYSA-N 2 1 391.515 3.568 20 0 GHADMP Nc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)c(OC(F)(F)F)c1 ZINC001246342643 1037304490 /nfs/dbraw/zinc/30/44/90/1037304490.db2.gz IPLNTEIQFXMIOW-ZWKOTPCHSA-N 2 1 379.426 3.620 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3cccc(C(F)(F)F)c3)CC[NH2+]CC1)C2 ZINC001246381362 1037340699 /nfs/dbraw/zinc/34/06/99/1037340699.db2.gz QATKMPWDXOVUKG-OWZKRDHZSA-N 3 1 395.513 3.932 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3cccc(C(F)(F)F)c3)CC[NH2+]CC1)C2 ZINC001246381362 1037340715 /nfs/dbraw/zinc/34/07/15/1037340715.db2.gz QATKMPWDXOVUKG-OWZKRDHZSA-N 2 1 395.513 3.932 20 0 GHADMP Fc1ccc(CC2(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246384042 1037344000 /nfs/dbraw/zinc/34/40/00/1037344000.db2.gz LKGGYLYTOGPILL-XZOQPEGZSA-N 3 1 381.539 3.821 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001246397106 1037356369 /nfs/dbraw/zinc/35/63/69/1037356369.db2.gz SAMXISYLNFPUJN-IANHRJHHSA-N 2 1 399.535 3.573 20 0 GHADMP Fc1ccccc1[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246397689 1037357066 /nfs/dbraw/zinc/35/70/66/1037357066.db2.gz GIVMOUXDTZPYCP-ZFGGDYGUSA-N 3 1 381.539 3.819 20 0 GHADMP COc1ccccc1CC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246419783 1037376600 /nfs/dbraw/zinc/37/66/00/1037376600.db2.gz IVOGCMHBVHAPLJ-GOTSBHOMSA-N 3 1 393.575 3.690 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246430571 1037391614 /nfs/dbraw/zinc/39/16/14/1037391614.db2.gz NISOOJQZVSQTRO-RHSMWYFYSA-N 2 1 384.442 3.606 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Br)cc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246440383 1037401754 /nfs/dbraw/zinc/40/17/54/1037401754.db2.gz DQKMNJVLRBJPOA-FLQXLDSJSA-N 3 1 392.385 3.804 20 0 GHADMP CC(C)(C)OC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246448930 1037410599 /nfs/dbraw/zinc/41/05/99/1037410599.db2.gz MGJYJVPQLGYZEY-FQEVSTJZSA-N 2 1 383.536 3.543 20 0 GHADMP Fc1cccc(CC2([NH2+]C3CCN(Cc4ccccc4)CC3)CC[NH2+]CC2)c1 ZINC001246457388 1037416613 /nfs/dbraw/zinc/41/66/13/1037416613.db2.gz KKRGUDNSTFPBPW-UHFFFAOYSA-N 2 1 381.539 3.745 20 0 GHADMP CC[C@@H]1CC([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)C[C@@H](CC)[NH2+]1 ZINC001246489059 1037435221 /nfs/dbraw/zinc/43/52/21/1037435221.db2.gz KCCACTVSJGJPRO-SBHAEUEKSA-N 2 1 391.625 3.843 20 0 GHADMP FC1(F)CNCC[C@H]1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246487792 1037435265 /nfs/dbraw/zinc/43/52/65/1037435265.db2.gz MJPDROQKMILNKN-XSDIEEQYSA-N 2 1 377.523 3.797 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001246553293 1037478544 /nfs/dbraw/zinc/47/85/44/1037478544.db2.gz XPIKTELBSIUJAT-SFHVURJKSA-N 2 1 384.337 3.571 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001246581268 1037489481 /nfs/dbraw/zinc/48/94/81/1037489481.db2.gz YMEBALWPVORKQP-YCSHWKNNSA-N 2 1 383.580 3.768 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246590775 1037492001 /nfs/dbraw/zinc/49/20/01/1037492001.db2.gz IAQXGQGQWSLCDR-YCSHWKNNSA-N 2 1 383.580 3.768 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246594479 1037492790 /nfs/dbraw/zinc/49/27/90/1037492790.db2.gz WBQNUVBYLOCYFG-KAGYGMCKSA-N 2 1 376.516 3.983 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246594479 1037492805 /nfs/dbraw/zinc/49/28/05/1037492805.db2.gz WBQNUVBYLOCYFG-KAGYGMCKSA-N 2 1 376.516 3.983 20 0 GHADMP CC1(C)C[C@@H](N2CC[NH2+][C@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246598859 1037497209 /nfs/dbraw/zinc/49/72/09/1037497209.db2.gz IZCHZQJQEKRDOR-RPWUZVMVSA-N 2 1 377.576 3.946 20 0 GHADMP Brc1ccc(N2CCC([N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC001246618401 1037509970 /nfs/dbraw/zinc/50/99/70/1037509970.db2.gz FCIYXHLEXUKJAP-IBGZPJMESA-N 2 1 378.358 3.636 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CC[C@]4(C3)CCCC[NH2+]4)CC2)cc1 ZINC001246618401 1037509990 /nfs/dbraw/zinc/50/99/90/1037509990.db2.gz FCIYXHLEXUKJAP-IBGZPJMESA-N 2 1 378.358 3.636 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2C[C@@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617965 1037510091 /nfs/dbraw/zinc/51/00/91/1037510091.db2.gz FAHJDWUYBUZPBP-LIONHTAISA-N 2 1 387.571 3.871 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](N3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625737 1037514920 /nfs/dbraw/zinc/51/49/20/1037514920.db2.gz SQLUISSXJBHVTO-DNQXCXABSA-N 2 1 375.560 3.730 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](N3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246625739 1037515257 /nfs/dbraw/zinc/51/52/57/1037515257.db2.gz SQLUISSXJBHVTO-RPWUZVMVSA-N 2 1 375.560 3.730 20 0 GHADMP C[C@@H]1C[C@H](N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001246624381 1037516154 /nfs/dbraw/zinc/51/61/54/1037516154.db2.gz DSABPUGYFHYJGW-NZSAHSFTSA-N 2 1 381.486 3.656 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@@H+]([C@H]1CCc3cccc(Br)c3C1)C2 ZINC001246636279 1037521132 /nfs/dbraw/zinc/52/11/32/1037521132.db2.gz FZSGOCSFGNEKJK-YOEHRIQHSA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@H+]([C@H]1CCc3cccc(Br)c3C1)C2 ZINC001246636279 1037521142 /nfs/dbraw/zinc/52/11/42/1037521142.db2.gz FZSGOCSFGNEKJK-YOEHRIQHSA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@@H+]([C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001246638595 1037523926 /nfs/dbraw/zinc/52/39/26/1037523926.db2.gz MROGZTHRZIJBJZ-DLBZAZTESA-N 2 1 385.296 3.627 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@H+]([C@H]1CCc3ccc(Br)cc3C1)C2 ZINC001246638595 1037523945 /nfs/dbraw/zinc/52/39/45/1037523945.db2.gz MROGZTHRZIJBJZ-DLBZAZTESA-N 2 1 385.296 3.627 20 0 GHADMP c1ccc(CN2CCC([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673428 1037540472 /nfs/dbraw/zinc/54/04/72/1037540472.db2.gz OGOFBMZDAAJJJN-AHWVRZQESA-N 2 1 389.587 3.904 20 0 GHADMP c1ccc(CN2CCC([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673428 1037540482 /nfs/dbraw/zinc/54/04/82/1037540482.db2.gz OGOFBMZDAAJJJN-AHWVRZQESA-N 2 1 389.587 3.904 20 0 GHADMP CC1(C)COC2(CCC([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)OC1 ZINC001246675677 1037543210 /nfs/dbraw/zinc/54/32/10/1037543210.db2.gz XNAMLQMBZXRKQC-XUZZJYLKSA-N 2 1 398.591 3.952 20 0 GHADMP Fc1cccc(N2CCC([N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)c1 ZINC001246684944 1037548284 /nfs/dbraw/zinc/54/82/84/1037548284.db2.gz YJBRKKCAYRNPGW-DNQXCXABSA-N 2 1 379.523 3.874 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]1 ZINC001246708410 1037560835 /nfs/dbraw/zinc/56/08/35/1037560835.db2.gz JUBMNYALSMCFLQ-VVSUKSJXSA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@H]1C[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)CC[NH2+]1 ZINC001246708410 1037560852 /nfs/dbraw/zinc/56/08/52/1037560852.db2.gz JUBMNYALSMCFLQ-VVSUKSJXSA-N 2 1 387.568 3.642 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246709938 1037561951 /nfs/dbraw/zinc/56/19/51/1037561951.db2.gz QFQHXTYKHUWUND-DZCCDHAISA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246709938 1037561969 /nfs/dbraw/zinc/56/19/69/1037561969.db2.gz QFQHXTYKHUWUND-DZCCDHAISA-N 2 1 387.568 3.641 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725514 1037574413 /nfs/dbraw/zinc/57/44/13/1037574413.db2.gz ZRFUSVAUDMIPLD-URVUXULASA-N 2 1 389.609 3.987 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246725260 1037575978 /nfs/dbraw/zinc/57/59/78/1037575978.db2.gz ZOAJQJPBCLPEOE-OYRHQHFDSA-N 2 1 397.607 3.854 20 0 GHADMP Clc1cccc2c1CC[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCC4)c3C1)C2 ZINC001246730009 1037578521 /nfs/dbraw/zinc/57/85/21/1037578521.db2.gz GIJDFFUQODXPGR-GOSISDBHSA-N 2 1 384.955 3.942 20 0 GHADMP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](C1CCC3(CC[NH2+]C3)CC1)C2 ZINC001246739545 1037582615 /nfs/dbraw/zinc/58/26/15/1037582615.db2.gz OFWLWJKBUZVTAP-UHFFFAOYSA-N 2 1 391.563 3.530 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)c1 ZINC001246744133 1037584804 /nfs/dbraw/zinc/58/48/04/1037584804.db2.gz JNFKRLDIPWCGHF-QQKQFIJSSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)c1 ZINC001246744133 1037584826 /nfs/dbraw/zinc/58/48/26/1037584826.db2.gz JNFKRLDIPWCGHF-QQKQFIJSSA-N 2 1 389.543 3.917 20 0 GHADMP CC[C@@H]1CC(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)C[C@@H](CC)[NH2+]1 ZINC001246749419 1037587667 /nfs/dbraw/zinc/58/76/67/1037587667.db2.gz WLJLMHOVQKLGTJ-DHIUTWEWSA-N 2 1 399.623 3.971 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)c1 ZINC001246750153 1037590915 /nfs/dbraw/zinc/59/09/15/1037590915.db2.gz SVUKTNASVVPIFF-JTHBVZDNSA-N 2 1 381.564 3.879 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)CC2=O)s1 ZINC001246753825 1037593451 /nfs/dbraw/zinc/59/34/51/1037593451.db2.gz DIMOTLLZCHGCHA-JOCHJYFZSA-N 2 1 387.593 3.798 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)CC[NH2+]1 ZINC001246772919 1037614822 /nfs/dbraw/zinc/61/48/22/1037614822.db2.gz BXFQSMHBWTXKFD-YOSAUDMPSA-N 2 1 383.580 3.944 20 0 GHADMP Cc1cccnc1N1CCCN([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786331 1037626722 /nfs/dbraw/zinc/62/67/22/1037626722.db2.gz NSDABNFZGOCAHW-IFMALSPDSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786331 1037626734 /nfs/dbraw/zinc/62/67/34/1037626734.db2.gz NSDABNFZGOCAHW-IFMALSPDSA-N 2 1 382.527 3.843 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246786331 1037626744 /nfs/dbraw/zinc/62/67/44/1037626744.db2.gz NSDABNFZGOCAHW-IFMALSPDSA-N 2 1 382.527 3.843 20 0 GHADMP Fc1ccc(C[N@H+]2CCCN([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823234 1037654912 /nfs/dbraw/zinc/65/49/12/1037654912.db2.gz OROSRIGVQIKKHL-ZEQRLZLVSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CN2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823234 1037654920 /nfs/dbraw/zinc/65/49/20/1037654920.db2.gz OROSRIGVQIKKHL-ZEQRLZLVSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CN2CCC[N@H+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823234 1037654927 /nfs/dbraw/zinc/65/49/27/1037654927.db2.gz OROSRIGVQIKKHL-ZEQRLZLVSA-N 2 1 381.539 3.697 20 0 GHADMP CC[C@H]1C[C@H]([NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246822695 1037655735 /nfs/dbraw/zinc/65/57/35/1037655735.db2.gz MKKKHUDUKUPASL-ZWKOTPCHSA-N 2 1 379.342 3.874 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246822468 1037656058 /nfs/dbraw/zinc/65/60/58/1037656058.db2.gz BAPZZWSSIHDUFN-YFNVTMOMSA-N 2 1 384.564 3.792 20 0 GHADMP CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246839773 1037668267 /nfs/dbraw/zinc/66/82/67/1037668267.db2.gz LVDDFNLXDIBKMC-UBFVSLLYSA-N 2 1 377.576 3.946 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246846760 1037671310 /nfs/dbraw/zinc/67/13/10/1037671310.db2.gz QYFWKTMCJYHXLU-QHCPKHFHSA-N 2 1 390.527 3.689 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@H+]1C1CCC2(C[NH2+]C2)CC1 ZINC001246846760 1037671324 /nfs/dbraw/zinc/67/13/24/1037671324.db2.gz QYFWKTMCJYHXLU-QHCPKHFHSA-N 2 1 390.527 3.689 20 0 GHADMP CCOc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246863989 1037683523 /nfs/dbraw/zinc/68/35/23/1037683523.db2.gz NVAODSHATHBCER-GMAHTHKFSA-N 2 1 379.548 3.571 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+]([C@@H](C)CC(c2ccccc2)c2ccccc2)CC1 ZINC001246867168 1037685890 /nfs/dbraw/zinc/68/58/90/1037685890.db2.gz GRBXPCLXEOEMMZ-MBSDFSHPSA-N 2 1 380.532 3.809 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCN1Cc1ccccc1 ZINC001246880068 1037693955 /nfs/dbraw/zinc/69/39/55/1037693955.db2.gz PJYIWUQGUOJPNQ-HVHOJJEHSA-N 2 1 375.560 3.513 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246880068 1037693973 /nfs/dbraw/zinc/69/39/73/1037693973.db2.gz PJYIWUQGUOJPNQ-HVHOJJEHSA-N 2 1 375.560 3.513 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246880068 1037693985 /nfs/dbraw/zinc/69/39/85/1037693985.db2.gz PJYIWUQGUOJPNQ-HVHOJJEHSA-N 2 1 375.560 3.513 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246913038 1037719820 /nfs/dbraw/zinc/71/98/20/1037719820.db2.gz JLXXTMBTQDLKPL-CCDWMCETSA-N 2 1 377.576 3.946 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@H]5C[NH2+][C@H]5C4)C[C@@H]23)cc1 ZINC001246916498 1037722681 /nfs/dbraw/zinc/72/26/81/1037722681.db2.gz ACYKXOBBBVIVMU-MMXJFWRNSA-N 2 1 387.571 3.655 20 0 GHADMP CC[C@H]1CC([N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)C[C@H](CC)[NH2+]1 ZINC001246915123 1037724729 /nfs/dbraw/zinc/72/47/29/1037724729.db2.gz VFCXXVPTSMOZSY-GJZGRUSLSA-N 2 1 398.020 3.673 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)C1 ZINC001246938526 1037741716 /nfs/dbraw/zinc/74/17/16/1037741716.db2.gz QBYXJZRTIJFKDR-FPOVZHCZSA-N 2 1 376.516 3.749 20 0 GHADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC2 ZINC001246941399 1037747170 /nfs/dbraw/zinc/74/71/70/1037747170.db2.gz KHKYLSOKWACTOS-VJBWXMMDSA-N 2 1 384.564 3.795 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246943668 1037747372 /nfs/dbraw/zinc/74/73/72/1037747372.db2.gz RQSYWEVLZRCAOZ-HSZRJFAPSA-N 2 1 395.522 3.685 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246943668 1037747397 /nfs/dbraw/zinc/74/73/97/1037747397.db2.gz RQSYWEVLZRCAOZ-HSZRJFAPSA-N 2 1 395.522 3.685 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)C1 ZINC001246956765 1037767868 /nfs/dbraw/zinc/76/78/68/1037767868.db2.gz UUYKQUSTSLFYHG-UWJYYQICSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)C1 ZINC001246958762 1037773486 /nfs/dbraw/zinc/77/34/86/1037773486.db2.gz GTPKSCHJKOVKQJ-UTKZUKDTSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)CC[C@H](C)[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246960301 1037779393 /nfs/dbraw/zinc/77/93/93/1037779393.db2.gz GVDMHUFIZFZXJJ-ZDUSSCGKSA-N 2 1 390.421 3.740 20 0 GHADMP COC(=O)CC[C@H](C)[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246960301 1037779406 /nfs/dbraw/zinc/77/94/06/1037779406.db2.gz GVDMHUFIZFZXJJ-ZDUSSCGKSA-N 2 1 390.421 3.740 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969393 1037791419 /nfs/dbraw/zinc/79/14/19/1037791419.db2.gz KSLUOIXJVJATJM-KKUMJFAQSA-N 2 1 386.462 3.505 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)CC[NH2+]1 ZINC001246969393 1037791436 /nfs/dbraw/zinc/79/14/36/1037791436.db2.gz KSLUOIXJVJATJM-KKUMJFAQSA-N 2 1 386.462 3.505 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246989072 1037816031 /nfs/dbraw/zinc/81/60/31/1037816031.db2.gz LGRLLFCZDOSRPD-QXAKKESOSA-N 2 1 379.342 3.825 20 0 GHADMP CN1CCC([N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246993007 1037818590 /nfs/dbraw/zinc/81/85/90/1037818590.db2.gz JPZYDAHQZZUXQW-LJQANCHMSA-N 2 1 396.406 3.999 20 0 GHADMP C[NH+]1CCC(N(C2CC[NH2+]CC2)[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CC1 ZINC001246993007 1037818606 /nfs/dbraw/zinc/81/86/06/1037818606.db2.gz JPZYDAHQZZUXQW-LJQANCHMSA-N 2 1 396.406 3.999 20 0 GHADMP CC1(c2nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3[nH]2)CC[NH2+]CC1 ZINC001247011126 1037835099 /nfs/dbraw/zinc/83/50/99/1037835099.db2.gz QGDRIJBHPFNLBD-UHFFFAOYSA-N 2 1 389.547 3.526 20 0 GHADMP Cc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1OCc1ccccc1 ZINC001232400511 1038185517 /nfs/dbraw/zinc/18/55/17/1038185517.db2.gz SABSJLOANRRYRA-UHFFFAOYSA-N 2 1 393.575 3.786 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(F)ccc4N)CC3)C2)cc1 ZINC001232510201 1038280317 /nfs/dbraw/zinc/28/03/17/1038280317.db2.gz VDIGXJSOUASXQR-UHFFFAOYSA-N 2 1 383.511 3.583 20 0 GHADMP C[N@H+]1C[C@H](c2nc(-c3ccc(-c4ccccc4)cc3)no2)OC2(CC[NH2+]CC2)C1 ZINC001247849216 1038424491 /nfs/dbraw/zinc/42/44/91/1038424491.db2.gz IFNLSLJFELHLQY-HXUWFJFHSA-N 2 1 390.487 3.529 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4ncncc34)C[C@H]21 ZINC001232656258 1038444150 /nfs/dbraw/zinc/44/41/50/1038444150.db2.gz ZGKRQDKUCCKLTA-CWFSZBLJSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4ncncc34)C[C@H]21 ZINC001232656258 1038444154 /nfs/dbraw/zinc/44/41/54/1038444154.db2.gz ZGKRQDKUCCKLTA-CWFSZBLJSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4ncncc34)C[C@H]21 ZINC001232656258 1038444158 /nfs/dbraw/zinc/44/41/58/1038444158.db2.gz ZGKRQDKUCCKLTA-CWFSZBLJSA-N 2 1 381.549 3.704 20 0 GHADMP CNc1ccccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001232667232 1038462586 /nfs/dbraw/zinc/46/25/86/1038462586.db2.gz DKKCOLBBHUDTLW-JOCHJYFZSA-N 2 1 379.548 3.984 20 0 GHADMP CSc1cc(F)c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1F ZINC001247905100 1038476481 /nfs/dbraw/zinc/47/64/81/1038476481.db2.gz KIAOVQDYFVGWPI-LBPRGKRZSA-N 2 1 394.491 3.668 20 0 GHADMP Fc1cc(F)c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1Cl ZINC001247906442 1038477040 /nfs/dbraw/zinc/47/70/40/1038477040.db2.gz OXQMTKIRWCIJJU-NSHDSACASA-N 2 1 382.842 3.600 20 0 GHADMP Cc1ncc(F)cc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001232987874 1038752391 /nfs/dbraw/zinc/75/23/91/1038752391.db2.gz FQRQUTINVXUTQQ-JOCHJYFZSA-N 2 1 383.511 3.785 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cnc(C)cc4C)CC3)C2)c1 ZINC001233007213 1038767588 /nfs/dbraw/zinc/76/75/88/1038767588.db2.gz XDXSJQJIXDTLRI-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(C)cc4C)CC3)C2)c1 ZINC001233007213 1038767594 /nfs/dbraw/zinc/76/75/94/1038767594.db2.gz XDXSJQJIXDTLRI-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC001462310602 1070160799 /nfs/dbraw/zinc/16/07/99/1070160799.db2.gz CIGKPMYTGMOFSX-DRUFCSCSSA-N 2 1 382.504 3.858 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001462310602 1070160804 /nfs/dbraw/zinc/16/08/04/1070160804.db2.gz CIGKPMYTGMOFSX-DRUFCSCSSA-N 2 1 382.504 3.858 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(Cl)ncc3[O-])C[C@H]21 ZINC001233035621 1038792084 /nfs/dbraw/zinc/79/20/84/1038792084.db2.gz HBQMVYCPMBZITB-KFKAGJAMSA-N 2 1 386.927 3.568 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ncc3[O-])C[C@H]21 ZINC001233035621 1038792095 /nfs/dbraw/zinc/79/20/95/1038792095.db2.gz HBQMVYCPMBZITB-KFKAGJAMSA-N 2 1 386.927 3.568 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ncc3[O-])C[C@H]21 ZINC001233035621 1038792104 /nfs/dbraw/zinc/79/21/04/1038792104.db2.gz HBQMVYCPMBZITB-KFKAGJAMSA-N 2 1 386.927 3.568 20 0 GHADMP O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252289612 1038926305 /nfs/dbraw/zinc/92/63/05/1038926305.db2.gz ZNCIEXRGNJMZGP-JWQCQUIFSA-N 2 1 394.559 3.552 20 0 GHADMP O[C@@H](COCc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252289612 1038926309 /nfs/dbraw/zinc/92/63/09/1038926309.db2.gz ZNCIEXRGNJMZGP-JWQCQUIFSA-N 2 1 394.559 3.552 20 0 GHADMP O[C@@H](COCc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252289612 1038926317 /nfs/dbraw/zinc/92/63/17/1038926317.db2.gz ZNCIEXRGNJMZGP-JWQCQUIFSA-N 2 1 394.559 3.552 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc5c4CCO5)CC3)C2)c1 ZINC001233275065 1039042608 /nfs/dbraw/zinc/04/26/08/1039042608.db2.gz MWCIRYIXPWJCBD-UHFFFAOYSA-N 2 1 384.545 3.550 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5c4CCO5)CC3)C2)c1 ZINC001233275065 1039042623 /nfs/dbraw/zinc/04/26/23/1039042623.db2.gz MWCIRYIXPWJCBD-UHFFFAOYSA-N 2 1 384.545 3.550 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233274928 1039043529 /nfs/dbraw/zinc/04/35/29/1039043529.db2.gz IHMCNJIFEVLQNS-UHFFFAOYSA-N 2 1 377.532 3.893 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](Cc1ccc(Cl)o1)CC2 ZINC001233315297 1039107852 /nfs/dbraw/zinc/10/78/52/1039107852.db2.gz GLMQGAMPEYTYFR-SFHVURJKSA-N 2 1 396.959 3.663 20 0 GHADMP O[C@@]1(C[NH2+][C@H](CC2CCOCC2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950174 1039294345 /nfs/dbraw/zinc/29/43/45/1039294345.db2.gz FPXDGPXMWDJWQJ-JWQCQUIFSA-N 2 1 394.559 3.771 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC001252951268 1039295948 /nfs/dbraw/zinc/29/59/48/1039295948.db2.gz QCHOIRZSSAUTHA-NHCUHLMSSA-N 2 1 390.449 3.919 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CCc3ccc(C(F)(F)F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951268 1039295961 /nfs/dbraw/zinc/29/59/61/1039295961.db2.gz QCHOIRZSSAUTHA-NHCUHLMSSA-N 2 1 390.449 3.919 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252997674 1039327943 /nfs/dbraw/zinc/32/79/43/1039327943.db2.gz OKOXGYDVVSEVPJ-BURNTYAHSA-N 2 1 394.625 3.706 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252997674 1039327958 /nfs/dbraw/zinc/32/79/58/1039327958.db2.gz OKOXGYDVVSEVPJ-BURNTYAHSA-N 2 1 394.625 3.706 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252997674 1039327972 /nfs/dbraw/zinc/32/79/72/1039327972.db2.gz OKOXGYDVVSEVPJ-BURNTYAHSA-N 2 1 394.625 3.706 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252997674 1039327987 /nfs/dbraw/zinc/32/79/87/1039327987.db2.gz OKOXGYDVVSEVPJ-BURNTYAHSA-N 2 1 394.625 3.706 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@](C)(O)c3ccccc3)C[C@H]21 ZINC001253101919 1039424849 /nfs/dbraw/zinc/42/48/49/1039424849.db2.gz VZTIJJUHCSLNPP-CDIGIKMISA-N 2 1 379.548 3.522 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@](C)(O)c3ccccc3)C[C@H]21 ZINC001253101919 1039424858 /nfs/dbraw/zinc/42/48/58/1039424858.db2.gz VZTIJJUHCSLNPP-CDIGIKMISA-N 2 1 379.548 3.522 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@](C)(O)c3ccccc3)C[C@H]21 ZINC001253101919 1039424870 /nfs/dbraw/zinc/42/48/70/1039424870.db2.gz VZTIJJUHCSLNPP-CDIGIKMISA-N 2 1 379.548 3.522 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@](C)(O)c3ccccc3)C[C@H]21 ZINC001253101919 1039424881 /nfs/dbraw/zinc/42/48/81/1039424881.db2.gz VZTIJJUHCSLNPP-CDIGIKMISA-N 2 1 379.548 3.522 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001253104378 1039426211 /nfs/dbraw/zinc/42/62/11/1039426211.db2.gz RHUWSVPIXABMCG-XYPHTWIQSA-N 2 1 382.346 3.629 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)cc1Br ZINC001278701120 1039458396 /nfs/dbraw/zinc/45/83/96/1039458396.db2.gz PWHGBPGBQZNJAA-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001253185417 1039466408 /nfs/dbraw/zinc/46/64/08/1039466408.db2.gz QYOIADARRWWTLI-HSZRJFAPSA-N 2 1 393.575 3.731 20 0 GHADMP CC[NH+](CC)C[C@H](O)C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001253194666 1039469910 /nfs/dbraw/zinc/46/99/10/1039469910.db2.gz MRYLZUVXTLWVIU-REWPJTCUSA-N 2 1 384.564 3.831 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3ccc4c(n3)OCCO4)C[C@H]21 ZINC001233858793 1039667688 /nfs/dbraw/zinc/66/76/88/1039667688.db2.gz JQNDRTJNMRARGY-PWIZWCRZSA-N 2 1 399.560 3.647 20 0 GHADMP OC1(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038009 1039968691 /nfs/dbraw/zinc/96/86/91/1039968691.db2.gz XBXPZXOUDCWJDL-HSZRJFAPSA-N 2 1 380.532 3.557 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254199724 1040047514 /nfs/dbraw/zinc/04/75/14/1040047514.db2.gz PVJGDUHBBJOWJN-SFHVURJKSA-N 2 1 388.556 3.718 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001254519493 1040294030 /nfs/dbraw/zinc/29/40/30/1040294030.db2.gz IURNTFRFTGISSH-HLAWJBBLSA-N 2 1 385.552 3.689 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001254519493 1040294045 /nfs/dbraw/zinc/29/40/45/1040294045.db2.gz IURNTFRFTGISSH-HLAWJBBLSA-N 2 1 385.552 3.689 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001254519493 1040294059 /nfs/dbraw/zinc/29/40/59/1040294059.db2.gz IURNTFRFTGISSH-HLAWJBBLSA-N 2 1 385.552 3.689 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)CC1 ZINC001254520867 1040295958 /nfs/dbraw/zinc/29/59/58/1040295958.db2.gz FYMASFDFXJZNGV-FQEVSTJZSA-N 2 1 381.564 3.651 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001254530562 1040302340 /nfs/dbraw/zinc/30/23/40/1040302340.db2.gz YQPYEIKDUYGSPS-AWRGLXIESA-N 2 1 399.579 3.591 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001254530562 1040302356 /nfs/dbraw/zinc/30/23/56/1040302356.db2.gz YQPYEIKDUYGSPS-AWRGLXIESA-N 2 1 399.579 3.591 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@]3(c3ccccc3)C2)CC1 ZINC001254530562 1040302372 /nfs/dbraw/zinc/30/23/72/1040302372.db2.gz YQPYEIKDUYGSPS-AWRGLXIESA-N 2 1 399.579 3.591 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254710854 1040471356 /nfs/dbraw/zinc/47/13/56/1040471356.db2.gz AOWVQFPOONAHMI-GOSISDBHSA-N 2 1 397.629 3.678 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254763593 1040523462 /nfs/dbraw/zinc/52/34/62/1040523462.db2.gz ALBUJDAQDBIMPF-QUCCMNQESA-N 2 1 387.568 3.873 20 0 GHADMP FC(F)(F)c1cc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235035107 1040528413 /nfs/dbraw/zinc/52/84/13/1040528413.db2.gz AOSGODZFYLRRMP-IUODEOHRSA-N 2 1 382.348 3.535 20 0 GHADMP FC(F)(F)c1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC001235035107 1040528427 /nfs/dbraw/zinc/52/84/27/1040528427.db2.gz AOSGODZFYLRRMP-IUODEOHRSA-N 2 1 382.348 3.535 20 0 GHADMP [NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CC[NH+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001254848724 1040592974 /nfs/dbraw/zinc/59/29/74/1040592974.db2.gz VLRUNKOMGBRNBL-IBGZPJMESA-N 2 1 381.486 3.526 20 0 GHADMP Brc1ccnc2[nH]cc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c21 ZINC001235156535 1040651151 /nfs/dbraw/zinc/65/11/51/1040651151.db2.gz QOJHAEBFAYKMEJ-INIZCTEOSA-N 2 1 377.330 3.680 20 0 GHADMP Ic1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001235232164 1040711005 /nfs/dbraw/zinc/71/10/05/1040711005.db2.gz VHEAYFRNVQXKQZ-KRWDZBQOSA-N 2 1 384.305 3.645 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]CC4OCCO4)C[C@@H]23)cc1 ZINC001255068750 1040763068 /nfs/dbraw/zinc/76/30/68/1040763068.db2.gz CDMLBQOLXVRKEK-JBRSBNLGSA-N 2 1 392.543 3.714 20 0 GHADMP Cc1cnc(F)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001235330872 1040802232 /nfs/dbraw/zinc/80/22/32/1040802232.db2.gz CVGGVOMIGKDINP-GOSISDBHSA-N 2 1 389.540 3.846 20 0 GHADMP Fc1c(Br)ccc(C(F)(F)F)c1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340732 1040811488 /nfs/dbraw/zinc/81/14/88/1040811488.db2.gz LQKVBJKCCNXEIU-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP Fc1c(Br)ccc(C(F)(F)F)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340732 1040811495 /nfs/dbraw/zinc/81/14/95/1040811495.db2.gz LQKVBJKCCNXEIU-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[C@@H]2C1 ZINC001255121431 1040812899 /nfs/dbraw/zinc/81/28/99/1040812899.db2.gz BRIRUMCXYFJQPN-WGHHSJJZSA-N 2 1 397.563 3.637 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCN(c4cccnc4)CC2)C3)cc1 ZINC001255130330 1040825838 /nfs/dbraw/zinc/82/58/38/1040825838.db2.gz SWNVVLHGVALVMK-WBDAEOGXSA-N 2 1 376.548 3.836 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCc2ccnc(OC4CCC4)n2)C3)cc1 ZINC001255134287 1040833709 /nfs/dbraw/zinc/83/37/09/1040833709.db2.gz ZSXVTULFXOVWJS-MZADTFQBSA-N 2 1 378.520 3.693 20 0 GHADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235365263 1040855161 /nfs/dbraw/zinc/85/51/61/1040855161.db2.gz NKYKZIKBXOIHLN-UKILVPOCSA-N 2 1 386.543 3.934 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365589 1040857478 /nfs/dbraw/zinc/85/74/78/1040857478.db2.gz ONIZDRMCBYIBMT-LADGPHEKSA-N 2 1 379.548 3.665 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccc(-c4ncccn4)cc2)CC3)cc1 ZINC001235371418 1040876541 /nfs/dbraw/zinc/87/65/41/1040876541.db2.gz QWPGJMAHNMLREH-ZCYQVOJMSA-N 2 1 384.527 3.897 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001255186399 1040893898 /nfs/dbraw/zinc/89/38/98/1040893898.db2.gz UJNOOCBDZWIGQO-YOESJJQFSA-N 2 1 385.552 3.781 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001255186399 1040893904 /nfs/dbraw/zinc/89/39/04/1040893904.db2.gz UJNOOCBDZWIGQO-YOESJJQFSA-N 2 1 385.552 3.781 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c(OCc2ccccc2)cc1C ZINC001235379236 1040899167 /nfs/dbraw/zinc/89/91/67/1040899167.db2.gz MOCJCGHFRAIDGR-VDKIKQQVSA-N 2 1 392.543 3.835 20 0 GHADMP Cn1ccc(-c2ccc(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)cc2)n1 ZINC001235387824 1040905016 /nfs/dbraw/zinc/90/50/16/1040905016.db2.gz XSMZSUOBICJRMH-NOZRDPDXSA-N 2 1 386.543 3.840 20 0 GHADMP Brc1cnc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235427820 1040928811 /nfs/dbraw/zinc/92/88/11/1040928811.db2.gz NOILRHCABBZQTR-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1I ZINC001235429635 1040931370 /nfs/dbraw/zinc/93/13/70/1040931370.db2.gz BSDZWQJXFSRDRG-SJORKVTESA-N 2 1 398.332 3.811 20 0 GHADMP CCOC(=O)C1CCC([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001255262004 1040932066 /nfs/dbraw/zinc/93/20/66/1040932066.db2.gz RJQJQDYGTOYQAO-CYSWKSHSSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001255262004 1040932067 /nfs/dbraw/zinc/93/20/67/1040932067.db2.gz RJQJQDYGTOYQAO-CYSWKSHSSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001255262004 1040932068 /nfs/dbraw/zinc/93/20/68/1040932068.db2.gz RJQJQDYGTOYQAO-CYSWKSHSSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)C1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001255262004 1040932069 /nfs/dbraw/zinc/93/20/69/1040932069.db2.gz RJQJQDYGTOYQAO-CYSWKSHSSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430921 1040932051 /nfs/dbraw/zinc/93/20/51/1040932051.db2.gz YNAAXIVFTLGHKY-QZTJIDSGSA-N 2 1 383.536 3.865 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431068 1040932757 /nfs/dbraw/zinc/93/27/57/1040932757.db2.gz UHTQNKOQABMSLV-GJZGRUSLSA-N 2 1 391.357 3.547 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432297 1040933385 /nfs/dbraw/zinc/93/33/85/1040933385.db2.gz WVVCOSGSXIKLKB-ZIAGYGMSSA-N 2 1 385.321 3.808 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432297 1040933387 /nfs/dbraw/zinc/93/33/87/1040933387.db2.gz WVVCOSGSXIKLKB-ZIAGYGMSSA-N 2 1 385.321 3.808 20 0 GHADMP c1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)c1 ZINC001235484587 1040957447 /nfs/dbraw/zinc/95/74/47/1040957447.db2.gz YHAODIGLTWMGMB-RPWUZVMVSA-N 2 1 377.532 3.546 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384402 1040974090 /nfs/dbraw/zinc/97/40/90/1040974090.db2.gz YBCUSVZGTOIFRP-HSZRJFAPSA-N 3 1 381.564 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255384583 1040974650 /nfs/dbraw/zinc/97/46/50/1040974650.db2.gz ZNAOVORBTKYIAW-NRFANRHFSA-N 2 1 387.568 3.888 20 0 GHADMP O=C(Cc1ccccc1)N1CCC[C@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1 ZINC001235533604 1040978288 /nfs/dbraw/zinc/97/82/88/1040978288.db2.gz GEONPHRIQFZXGF-RUZDIDTESA-N 2 1 397.607 3.856 20 0 GHADMP O=C(c1ccccc1F)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390577 1040978403 /nfs/dbraw/zinc/97/84/03/1040978403.db2.gz JBZCWIUKFYRMGQ-RTWAWAEBSA-N 2 1 395.522 3.685 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390932 1040979009 /nfs/dbraw/zinc/97/90/09/1040979009.db2.gz LJRXWXOGKITESG-RPWUZVMVSA-N 2 1 393.575 3.914 20 0 GHADMP O=C(c1cccc(F)c1)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255391079 1040979092 /nfs/dbraw/zinc/97/90/92/1040979092.db2.gz NOXLJXBVVHTWNE-GOTSBHOMSA-N 2 1 395.522 3.685 20 0 GHADMP O=C(c1ccc(F)cc1)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390771 1040979229 /nfs/dbraw/zinc/97/92/29/1040979229.db2.gz KWWZQEOIGSMJLZ-GOTSBHOMSA-N 2 1 395.522 3.685 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccc4c(c2)CC[NH2+]C4)CCO3)c1 ZINC001235539529 1040980270 /nfs/dbraw/zinc/98/02/70/1040980270.db2.gz XBZXDYMSUDPZAX-RUZDIDTESA-N 2 1 391.559 3.512 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)CCO3)c1 ZINC001235539529 1040980272 /nfs/dbraw/zinc/98/02/72/1040980272.db2.gz XBZXDYMSUDPZAX-RUZDIDTESA-N 2 1 391.559 3.512 20 0 GHADMP O=C1NCCCN1c1cccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255393687 1040981305 /nfs/dbraw/zinc/98/13/05/1040981305.db2.gz UBSNPSNNIOAXQB-JOCHJYFZSA-N 2 1 392.547 3.751 20 0 GHADMP CN(C)C(=O)c1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255398176 1040983677 /nfs/dbraw/zinc/98/36/77/1040983677.db2.gz SSTXFUADQITVOM-HSZRJFAPSA-N 2 1 379.548 3.575 20 0 GHADMP COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255398932 1040985460 /nfs/dbraw/zinc/98/54/60/1040985460.db2.gz NBFLABURSUNRIX-QFIPXVFZSA-N 2 1 399.579 3.986 20 0 GHADMP COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255398932 1040985461 /nfs/dbraw/zinc/98/54/61/1040985461.db2.gz NBFLABURSUNRIX-QFIPXVFZSA-N 2 1 399.579 3.986 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255402555 1040988618 /nfs/dbraw/zinc/98/86/18/1040988618.db2.gz PAXPGJPXYYBALQ-KMDXXIMOSA-N 2 1 386.580 3.949 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402555 1040988619 /nfs/dbraw/zinc/98/86/19/1040988619.db2.gz PAXPGJPXYYBALQ-KMDXXIMOSA-N 2 1 386.580 3.949 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402555 1040988625 /nfs/dbraw/zinc/98/86/25/1040988625.db2.gz PAXPGJPXYYBALQ-KMDXXIMOSA-N 2 1 386.580 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255401692 1040989290 /nfs/dbraw/zinc/98/92/90/1040989290.db2.gz WJQKHZBQVNCBNS-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255401692 1040989303 /nfs/dbraw/zinc/98/93/03/1040989303.db2.gz WJQKHZBQVNCBNS-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255401692 1040989312 /nfs/dbraw/zinc/98/93/12/1040989312.db2.gz WJQKHZBQVNCBNS-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP COC[C@H]1COCCC12CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255402639 1040990105 /nfs/dbraw/zinc/99/01/05/1040990105.db2.gz KUUIUKZZVUOWGQ-XZOQPEGZSA-N 2 1 386.580 3.806 20 0 GHADMP COC[C@H]1COCCC12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402639 1040990106 /nfs/dbraw/zinc/99/01/06/1040990106.db2.gz KUUIUKZZVUOWGQ-XZOQPEGZSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403670 1040991227 /nfs/dbraw/zinc/99/12/27/1040991227.db2.gz FBQRJEUZVWFZEH-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403670 1040991228 /nfs/dbraw/zinc/99/12/28/1040991228.db2.gz FBQRJEUZVWFZEH-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403670 1040991231 /nfs/dbraw/zinc/99/12/31/1040991231.db2.gz FBQRJEUZVWFZEH-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255405721 1040993174 /nfs/dbraw/zinc/99/31/74/1040993174.db2.gz OPZPGEWMCQXPEB-LEWJYISDSA-N 2 1 387.568 3.982 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255405721 1040993177 /nfs/dbraw/zinc/99/31/77/1040993177.db2.gz OPZPGEWMCQXPEB-LEWJYISDSA-N 2 1 387.568 3.982 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255405721 1040993179 /nfs/dbraw/zinc/99/31/79/1040993179.db2.gz OPZPGEWMCQXPEB-LEWJYISDSA-N 2 1 387.568 3.982 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409694 1040998565 /nfs/dbraw/zinc/99/85/65/1040998565.db2.gz LDCKKNHDMBSDFY-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409694 1040998568 /nfs/dbraw/zinc/99/85/68/1040998568.db2.gz LDCKKNHDMBSDFY-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409694 1040998571 /nfs/dbraw/zinc/99/85/71/1040998571.db2.gz LDCKKNHDMBSDFY-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409694 1040998578 /nfs/dbraw/zinc/99/85/78/1040998578.db2.gz LDCKKNHDMBSDFY-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCc4ccc(-c5cccnc5)cc43)CC2)O1 ZINC001235585438 1040999104 /nfs/dbraw/zinc/99/91/04/1040999104.db2.gz XYRLIBQWVRGWDL-NRFANRHFSA-N 2 1 377.532 3.753 20 0 GHADMP C[N@@H+](CCc1nnc([C@@H]2CC[NH+](Cc3ccccc3)C2)o1)Cc1ccccc1 ZINC001255426939 1041022718 /nfs/dbraw/zinc/02/27/18/1041022718.db2.gz IGQUCTPQTDXPDB-OAQYLSRUSA-N 2 1 376.504 3.734 20 0 GHADMP C[NH+](CCc1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1)Cc1ccccc1 ZINC001255426939 1041022752 /nfs/dbraw/zinc/02/27/52/1041022752.db2.gz IGQUCTPQTDXPDB-OAQYLSRUSA-N 2 1 376.504 3.734 20 0 GHADMP C[NH+](CCc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1ccccc1 ZINC001255426939 1041022779 /nfs/dbraw/zinc/02/27/79/1041022779.db2.gz IGQUCTPQTDXPDB-OAQYLSRUSA-N 2 1 376.504 3.734 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3-c3ccncc3)CC2)C1 ZINC001235620522 1041046602 /nfs/dbraw/zinc/04/66/02/1041046602.db2.gz GAOMYDGHJWQUDM-OAQYLSRUSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3-c3ccncc3)CC2)C1 ZINC001235620522 1041046642 /nfs/dbraw/zinc/04/66/42/1041046642.db2.gz GAOMYDGHJWQUDM-OAQYLSRUSA-N 2 1 393.531 3.598 20 0 GHADMP C[N@@H+](Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1)Cc1cccc2ccccc21 ZINC001235663908 1041118926 /nfs/dbraw/zinc/11/89/26/1041118926.db2.gz YALRHHKROCDLIQ-UHFFFAOYSA-N 2 1 385.515 3.982 20 0 GHADMP FC(F)(F)c1ccc(O[C@H]2CCC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001235688605 1041158775 /nfs/dbraw/zinc/15/87/75/1041158775.db2.gz RZKZAZGFYFPZNF-IBGZPJMESA-N 2 1 379.426 3.654 20 0 GHADMP C[NH+]1CCC2(C[NH+](Cc3ccc(OC(F)(F)F)cc3Br)C2)CC1 ZINC001235713906 1041196282 /nfs/dbraw/zinc/19/62/82/1041196282.db2.gz MKSOBQGFXWCLTN-UHFFFAOYSA-N 2 1 393.247 3.875 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC001235717905 1041201735 /nfs/dbraw/zinc/20/17/35/1041201735.db2.gz PBQFCMYJCKJANN-UHFFFAOYSA-N 2 1 377.916 3.820 20 0 GHADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001255757603 1041274702 /nfs/dbraw/zinc/27/47/02/1041274702.db2.gz YCLXPUDTGNRRBJ-LSWJPFSZSA-N 2 1 384.589 3.948 20 0 GHADMP Cc1ccc(SC[C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001255757603 1041274716 /nfs/dbraw/zinc/27/47/16/1041274716.db2.gz YCLXPUDTGNRRBJ-LSWJPFSZSA-N 2 1 384.589 3.948 20 0 GHADMP Clc1ccccc1N1CC[NH+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001235819875 1041337027 /nfs/dbraw/zinc/33/70/27/1041337027.db2.gz JXGAWHFQKIZDAY-UHFFFAOYSA-N 2 1 380.923 3.720 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255870118 1041359190 /nfs/dbraw/zinc/35/91/90/1041359190.db2.gz IGNRXLRFAFVQPL-CVDCTZTESA-N 2 1 397.538 3.907 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958714 1041436880 /nfs/dbraw/zinc/43/68/80/1041436880.db2.gz FDAOAZYCLWWSNK-VQTJNVASSA-N 2 1 393.641 3.924 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H]2Cc3c(c(-c4cccc(F)c4)nn3C)[C@H]2C1 ZINC001255961583 1041442913 /nfs/dbraw/zinc/44/29/13/1041442913.db2.gz WPKZPTVQBVRGTP-POAQFYNOSA-N 2 1 384.543 3.918 20 0 GHADMP COCC[N@H+](Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)C1CC[NH2+]CC1 ZINC001235943433 1041449646 /nfs/dbraw/zinc/44/96/46/1041449646.db2.gz IMRCKYKJLCILOB-UHFFFAOYSA-N 2 1 393.453 3.968 20 0 GHADMP COCC[N@@H+](Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1)C1CC[NH2+]CC1 ZINC001235943433 1041449657 /nfs/dbraw/zinc/44/96/57/1041449657.db2.gz IMRCKYKJLCILOB-UHFFFAOYSA-N 2 1 393.453 3.968 20 0 GHADMP COCC[N@H+](Cc1ccc(Br)c(Cl)c1C)C1CC[NH2+]CC1 ZINC001235945005 1041451011 /nfs/dbraw/zinc/45/10/11/1041451011.db2.gz PYTWAWMQBZHJQQ-UHFFFAOYSA-N 2 1 375.738 3.611 20 0 GHADMP COCC[N@@H+](Cc1ccc(Br)c(Cl)c1C)C1CC[NH2+]CC1 ZINC001235945005 1041451017 /nfs/dbraw/zinc/45/10/17/1041451017.db2.gz PYTWAWMQBZHJQQ-UHFFFAOYSA-N 2 1 375.738 3.611 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC001235950054 1041454481 /nfs/dbraw/zinc/45/44/81/1041454481.db2.gz ZFRIQGJKKOJFIK-FQEVSTJZSA-N 2 1 386.337 3.806 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC001235950054 1041454493 /nfs/dbraw/zinc/45/44/93/1041454493.db2.gz ZFRIQGJKKOJFIK-FQEVSTJZSA-N 2 1 386.337 3.806 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000723805270 1041469672 /nfs/dbraw/zinc/46/96/72/1041469672.db2.gz OOMWKOCEHPZJET-QUCCMNQESA-N 2 1 387.568 3.744 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235971979 1041475225 /nfs/dbraw/zinc/47/52/25/1041475225.db2.gz DWZZSBDBOUHXGZ-UHFFFAOYSA-N 2 1 391.437 3.804 20 0 GHADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C[C@H]3CC=C(CCC=C(C)C)CC3)C[C@H]1C2 ZINC001236021188 1041509790 /nfs/dbraw/zinc/50/97/90/1041509790.db2.gz IIGXQGULJWAAEI-PHQLXWQESA-N 2 1 386.580 3.790 20 0 GHADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2ccc(F)c(N3CCOCC3)c2)CC1 ZINC001236227972 1041633401 /nfs/dbraw/zinc/63/34/01/1041633401.db2.gz DMUXMZMSKZRVPX-UHFFFAOYSA-N 2 1 397.538 3.934 20 0 GHADMP FC(F)(F)c1ccc(Br)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321190 1041669995 /nfs/dbraw/zinc/66/99/95/1041669995.db2.gz XUHJVTNBHOVZRC-TXEJJXNPSA-N 2 1 377.248 3.899 20 0 GHADMP CCOc1ncc(Br)cc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374873 1041687088 /nfs/dbraw/zinc/68/70/88/1041687088.db2.gz GBBCEANDZATAMY-OAHLLOKOSA-N 2 1 396.373 3.987 20 0 GHADMP CCOc1ncc(Br)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374873 1041687091 /nfs/dbraw/zinc/68/70/91/1041687091.db2.gz GBBCEANDZATAMY-OAHLLOKOSA-N 2 1 396.373 3.987 20 0 GHADMP COCCCOc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1OC ZINC001236376583 1041688449 /nfs/dbraw/zinc/68/84/49/1041688449.db2.gz UBSYMVKXOAYFOU-HXUWFJFHSA-N 2 1 390.568 3.855 20 0 GHADMP CCCCc1ccc(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)s1 ZINC001236388389 1041694388 /nfs/dbraw/zinc/69/43/88/1041694388.db2.gz ZGQXQECCZJSRQQ-UHFFFAOYSA-N 2 1 393.641 3.615 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001236442117 1041713650 /nfs/dbraw/zinc/71/36/50/1041713650.db2.gz WEBIKEAWQPYEJH-SFTDATJTSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001236442117 1041713654 /nfs/dbraw/zinc/71/36/54/1041713654.db2.gz WEBIKEAWQPYEJH-SFTDATJTSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001236442117 1041713659 /nfs/dbraw/zinc/71/36/59/1041713659.db2.gz WEBIKEAWQPYEJH-SFTDATJTSA-N 2 1 396.604 3.625 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c1 ZINC001236453676 1041718393 /nfs/dbraw/zinc/71/83/93/1041718393.db2.gz GMWWCHSDYFQLGY-UHFFFAOYSA-N 2 1 386.923 3.810 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c1 ZINC001236453676 1041718402 /nfs/dbraw/zinc/71/84/02/1041718402.db2.gz GMWWCHSDYFQLGY-UHFFFAOYSA-N 2 1 386.923 3.810 20 0 GHADMP COCCCOc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1OC ZINC001236456651 1041720407 /nfs/dbraw/zinc/72/04/07/1041720407.db2.gz BUZGAJFERPQJAE-UHFFFAOYSA-N 2 1 378.557 3.711 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CC[NH2+]CC1 ZINC001236459616 1041722422 /nfs/dbraw/zinc/72/24/22/1041722422.db2.gz AZMIEWAWACJOQB-UHFFFAOYSA-N 2 1 378.520 3.616 20 0 GHADMP CCOCC[N@H+](Cc1ccc(Br)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236461055 1041723672 /nfs/dbraw/zinc/72/36/72/1041723672.db2.gz KJNDIVMRELXLJO-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(Br)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236461055 1041723680 /nfs/dbraw/zinc/72/36/80/1041723680.db2.gz KJNDIVMRELXLJO-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236462246 1041724210 /nfs/dbraw/zinc/72/42/10/1041724210.db2.gz UTQUFSJHVFQZMI-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OC(F)(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236462246 1041724214 /nfs/dbraw/zinc/72/42/14/1041724214.db2.gz UTQUFSJHVFQZMI-UHFFFAOYSA-N 2 1 380.838 3.829 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCCc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001236464475 1041726498 /nfs/dbraw/zinc/72/64/98/1041726498.db2.gz GEYAPRNYVUYQKT-UHFFFAOYSA-N 2 1 384.495 3.799 20 0 GHADMP COc1c(C)c[nH+]c(CN(Cc2c(F)cc(F)cc2F)C2CC[NH2+]CC2)c1C ZINC001236500088 1041741335 /nfs/dbraw/zinc/74/13/35/1041741335.db2.gz UIPVTFQVTZNPEU-UHFFFAOYSA-N 2 1 393.453 3.879 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236544191 1041757217 /nfs/dbraw/zinc/75/72/17/1041757217.db2.gz FUBVVSUFKAYUMY-HZCBDIJESA-N 2 1 396.531 3.683 20 0 GHADMP COc1ncc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1Br ZINC001236542942 1041757838 /nfs/dbraw/zinc/75/78/38/1041757838.db2.gz YBMZFYFIBIQHNR-WKILWMFISA-N 2 1 382.346 3.725 20 0 GHADMP CC(C)C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552544 1041759917 /nfs/dbraw/zinc/75/99/17/1041759917.db2.gz XODSRSYSRHFGLF-SHTZXODSSA-N 2 1 383.330 3.906 20 0 GHADMP CCOc1cc(C(=O)OC)ccc1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766823 1041879926 /nfs/dbraw/zinc/87/99/26/1041879926.db2.gz HCYOQWHRAAJMQW-WGSAOQKQSA-N 2 1 376.541 3.990 20 0 GHADMP COc1ncc(Br)cc1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768880 1041881086 /nfs/dbraw/zinc/88/10/86/1041881086.db2.gz YKKPOAQFGQTGOO-WKILWMFISA-N 2 1 384.362 3.971 20 0 GHADMP CCC[N@H+](Cc1cc(C)c(I)c(C)c1)C[C@H]1CC[NH2+]C1 ZINC001236843600 1041925760 /nfs/dbraw/zinc/92/57/60/1041925760.db2.gz KWBFEWGXHARXPH-HNNXBMFYSA-N 2 1 386.321 3.730 20 0 GHADMP C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001236892983 1041942681 /nfs/dbraw/zinc/94/26/81/1041942681.db2.gz IEDVQCLTQXMLME-RUZDIDTESA-N 2 1 392.591 3.535 20 0 GHADMP CN(Cc1cccc(N2CC[NH+](C)CC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236892983 1041942685 /nfs/dbraw/zinc/94/26/85/1041942685.db2.gz IEDVQCLTQXMLME-RUZDIDTESA-N 2 1 392.591 3.535 20 0 GHADMP CN(Cc1cccc(N2CC[NH+](C)CC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236892983 1041942690 /nfs/dbraw/zinc/94/26/90/1041942690.db2.gz IEDVQCLTQXMLME-RUZDIDTESA-N 2 1 392.591 3.535 20 0 GHADMP Brc1ccc2ncc(C[NH+]3CCC(CC4CC[NH2+]CC4)CC3)n2c1 ZINC001236961967 1041970832 /nfs/dbraw/zinc/97/08/32/1041970832.db2.gz QMPFJHPMPDRDKM-UHFFFAOYSA-N 2 1 391.357 3.699 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(O)cc3ccccc31)C2 ZINC001237070651 1042021247 /nfs/dbraw/zinc/02/12/47/1042021247.db2.gz YMXYYVZZQFIXDO-QPPBQGQZSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(O)cc3ccccc31)C2 ZINC001237070651 1042021256 /nfs/dbraw/zinc/02/12/56/1042021256.db2.gz YMXYYVZZQFIXDO-QPPBQGQZSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(O)cc3ccccc31)C2 ZINC001237070651 1042021261 /nfs/dbraw/zinc/02/12/61/1042021261.db2.gz YMXYYVZZQFIXDO-QPPBQGQZSA-N 2 1 380.532 3.726 20 0 GHADMP S=C1C=COC1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001237177431 1042079752 /nfs/dbraw/zinc/07/97/52/1042079752.db2.gz PFGPYDVNRJARFR-RXVVDRJESA-N 2 1 376.566 3.529 20 0 GHADMP S=C1C=COC1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237177431 1042079759 /nfs/dbraw/zinc/07/97/59/1042079759.db2.gz PFGPYDVNRJARFR-RXVVDRJESA-N 2 1 376.566 3.529 20 0 GHADMP S=C1C=COC1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237177431 1042079767 /nfs/dbraw/zinc/07/97/67/1042079767.db2.gz PFGPYDVNRJARFR-RXVVDRJESA-N 2 1 376.566 3.529 20 0 GHADMP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3cccc(N4CC[NH2+]CC4)c3)CC[C@@H]1N2 ZINC001237248548 1042107093 /nfs/dbraw/zinc/10/70/93/1042107093.db2.gz OWKICNANUHMHSF-IRLDBZIGSA-N 2 1 382.939 3.533 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@@H]3C2)cc1 ZINC001237274959 1042118727 /nfs/dbraw/zinc/11/87/27/1042118727.db2.gz HYSDMBANOUFKRF-RPWUZVMVSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@@H]3C2)cc1 ZINC001237274959 1042118730 /nfs/dbraw/zinc/11/87/30/1042118730.db2.gz HYSDMBANOUFKRF-RPWUZVMVSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@@H]3C2)cc1 ZINC001237274959 1042118732 /nfs/dbraw/zinc/11/87/32/1042118732.db2.gz HYSDMBANOUFKRF-RPWUZVMVSA-N 3 1 375.560 3.676 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237289756 1042126859 /nfs/dbraw/zinc/12/68/59/1042126859.db2.gz SNAZXOLKLXRAQJ-ZHACJKMWSA-N 2 1 376.500 3.510 20 0 GHADMP c1ccc2c(c1)NCCC21CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001237317937 1042144348 /nfs/dbraw/zinc/14/43/48/1042144348.db2.gz ACFJPTGWWMBQFC-UHFFFAOYSA-N 2 1 391.559 3.868 20 0 GHADMP c1ccc2c(c1)CC1(CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC1)N2 ZINC001237332156 1042152538 /nfs/dbraw/zinc/15/25/38/1042152538.db2.gz AOHCZJDQGFKPKB-UHFFFAOYSA-N 2 1 377.532 3.522 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001237406942 1042194626 /nfs/dbraw/zinc/19/46/26/1042194626.db2.gz RKCWGGNDTWZHCN-UHFFFAOYSA-N 2 1 399.560 3.574 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001237406942 1042194629 /nfs/dbraw/zinc/19/46/29/1042194629.db2.gz RKCWGGNDTWZHCN-UHFFFAOYSA-N 2 1 399.560 3.574 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001237487412 1042230403 /nfs/dbraw/zinc/23/04/03/1042230403.db2.gz FDCCJVOUVBWRCE-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP Cc1cc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cnc1OC(C)C ZINC001238376081 1042575505 /nfs/dbraw/zinc/57/55/05/1042575505.db2.gz CQVDPPFWRVOTRA-YADHBBJMSA-N 2 1 380.536 3.526 20 0 GHADMP Cc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cnc1OC(C)C ZINC001238376081 1042575507 /nfs/dbraw/zinc/57/55/07/1042575507.db2.gz CQVDPPFWRVOTRA-YADHBBJMSA-N 2 1 380.536 3.526 20 0 GHADMP Cc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cnc1OC(C)C ZINC001238376081 1042575513 /nfs/dbraw/zinc/57/55/13/1042575513.db2.gz CQVDPPFWRVOTRA-YADHBBJMSA-N 2 1 380.536 3.526 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-c1ccc(F)cc1F ZINC001238581195 1042646457 /nfs/dbraw/zinc/64/64/57/1042646457.db2.gz SKYFSYSBVBUPGX-UHFFFAOYSA-N 2 1 390.474 3.949 20 0 GHADMP O=S(=O)(c1ccc(C2=CCC[N@H+](Cc3ccccc3)C2)cc1)C1CC[NH2+]CC1 ZINC001240388460 1042924924 /nfs/dbraw/zinc/92/49/24/1042924924.db2.gz KXNXAADZRYUCDI-UHFFFAOYSA-N 2 1 396.556 3.502 20 0 GHADMP O=S(=O)(c1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1)C1CC[NH2+]CC1 ZINC001240388460 1042924925 /nfs/dbraw/zinc/92/49/25/1042924925.db2.gz KXNXAADZRYUCDI-UHFFFAOYSA-N 2 1 396.556 3.502 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2OCCc3cn(CC4CC4)nc32)CC[N@@H+]1Cc1ccccc1 ZINC001256524952 1043450448 /nfs/dbraw/zinc/45/04/48/1043450448.db2.gz XLTPXGIEJGZBKL-LEOXJPRUSA-N 2 1 394.563 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2OCCc3cn(CC4CC4)nc32)CC[N@H+]1Cc1ccccc1 ZINC001256524952 1043450471 /nfs/dbraw/zinc/45/04/71/1043450471.db2.gz XLTPXGIEJGZBKL-LEOXJPRUSA-N 2 1 394.563 3.550 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256525439 1043453846 /nfs/dbraw/zinc/45/38/46/1043453846.db2.gz ZJNDXJXUSIDRPH-WJMWBRGCSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256525439 1043453856 /nfs/dbraw/zinc/45/38/56/1043453856.db2.gz ZJNDXJXUSIDRPH-WJMWBRGCSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256528871 1043459042 /nfs/dbraw/zinc/45/90/42/1043459042.db2.gz NDCTXUFYXQQNFG-CKLTXHEASA-N 2 1 377.532 3.649 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256528871 1043459053 /nfs/dbraw/zinc/45/90/53/1043459053.db2.gz NDCTXUFYXQQNFG-CKLTXHEASA-N 2 1 377.532 3.649 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC001256530840 1043465265 /nfs/dbraw/zinc/46/52/65/1043465265.db2.gz FCXBKIRSFPFEQR-RXVVDRJESA-N 2 1 386.511 3.994 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC001256530840 1043465276 /nfs/dbraw/zinc/46/52/76/1043465276.db2.gz FCXBKIRSFPFEQR-RXVVDRJESA-N 2 1 386.511 3.994 20 0 GHADMP C[C@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536809 1043481389 /nfs/dbraw/zinc/48/13/89/1043481389.db2.gz GBTJNTFXCBCBMD-FKVLARQCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccnc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538248 1043484614 /nfs/dbraw/zinc/48/46/14/1043484614.db2.gz SHRHDYIZRSPCJA-OFNKIYASSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccnc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256538248 1043484616 /nfs/dbraw/zinc/48/46/16/1043484616.db2.gz SHRHDYIZRSPCJA-OFNKIYASSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256545051 1043504553 /nfs/dbraw/zinc/50/45/53/1043504553.db2.gz BIMFUMUIGNZJBP-CNOUCKAOSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256545051 1043504564 /nfs/dbraw/zinc/50/45/64/1043504564.db2.gz BIMFUMUIGNZJBP-CNOUCKAOSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256545051 1043504574 /nfs/dbraw/zinc/50/45/74/1043504574.db2.gz BIMFUMUIGNZJBP-CNOUCKAOSA-N 2 1 395.591 3.666 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256545051 1043504593 /nfs/dbraw/zinc/50/45/93/1043504593.db2.gz BIMFUMUIGNZJBP-CNOUCKAOSA-N 2 1 395.591 3.666 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)CC[C@@H]21 ZINC001256547188 1043507645 /nfs/dbraw/zinc/50/76/45/1043507645.db2.gz RDGWUHOZBZXKOT-IZBOUPIGSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)CC[C@@H]21 ZINC001256547188 1043507656 /nfs/dbraw/zinc/50/76/56/1043507656.db2.gz RDGWUHOZBZXKOT-IZBOUPIGSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC[C@@H]21 ZINC001256547188 1043507663 /nfs/dbraw/zinc/50/76/63/1043507663.db2.gz RDGWUHOZBZXKOT-IZBOUPIGSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC[C@@H]21 ZINC001256547188 1043507673 /nfs/dbraw/zinc/50/76/73/1043507673.db2.gz RDGWUHOZBZXKOT-IZBOUPIGSA-N 2 1 383.580 3.618 20 0 GHADMP CC[C@@H]1[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547845 1043510729 /nfs/dbraw/zinc/51/07/29/1043510729.db2.gz VVFAGWUQAJYJHS-VLHNPEIBSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547845 1043510733 /nfs/dbraw/zinc/51/07/33/1043510733.db2.gz VVFAGWUQAJYJHS-VLHNPEIBSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547845 1043510740 /nfs/dbraw/zinc/51/07/40/1043510740.db2.gz VVFAGWUQAJYJHS-VLHNPEIBSA-N 2 1 383.580 3.905 20 0 GHADMP CC[C@@H]1[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCC[C@]12CCC(=O)N2C ZINC001256547845 1043510750 /nfs/dbraw/zinc/51/07/50/1043510750.db2.gz VVFAGWUQAJYJHS-VLHNPEIBSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@H]1C[C@@H](N2CC[NH+](CCc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256551467 1043516917 /nfs/dbraw/zinc/51/69/17/1043516917.db2.gz SANWJHNMDRHHSI-UNMCSNQZSA-N 2 1 383.605 3.961 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256553560 1043521586 /nfs/dbraw/zinc/52/15/86/1043521586.db2.gz GATSNEFGXQXQLP-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256553560 1043521589 /nfs/dbraw/zinc/52/15/89/1043521589.db2.gz GATSNEFGXQXQLP-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C)n1 ZINC001256556696 1043525698 /nfs/dbraw/zinc/52/56/98/1043525698.db2.gz INJPUMMEKCFRIA-XXBNENTESA-N 2 1 393.579 3.705 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc(C)[nH+]1 ZINC001256556696 1043525703 /nfs/dbraw/zinc/52/57/03/1043525703.db2.gz INJPUMMEKCFRIA-XXBNENTESA-N 3 1 393.579 3.705 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc(C)[nH+]1 ZINC001256556696 1043525710 /nfs/dbraw/zinc/52/57/10/1043525710.db2.gz INJPUMMEKCFRIA-XXBNENTESA-N 3 1 393.579 3.705 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555335 1043525747 /nfs/dbraw/zinc/52/57/47/1043525747.db2.gz UDBULTVVPQVZJS-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555335 1043525751 /nfs/dbraw/zinc/52/57/51/1043525751.db2.gz UDBULTVVPQVZJS-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256584811 1043553897 /nfs/dbraw/zinc/55/38/97/1043553897.db2.gz VVARQVNOXYTKNR-YHBQERECSA-N 2 1 378.564 3.818 20 0 GHADMP CN(C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001256594959 1043560118 /nfs/dbraw/zinc/56/01/18/1043560118.db2.gz BGZWFIXZKACTME-DEOSSOPVSA-N 2 1 378.564 3.642 20 0 GHADMP CN(C1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001256594959 1043560128 /nfs/dbraw/zinc/56/01/28/1043560128.db2.gz BGZWFIXZKACTME-DEOSSOPVSA-N 2 1 378.564 3.642 20 0 GHADMP O=C(CN1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1)c1cccs1 ZINC001256600263 1043564080 /nfs/dbraw/zinc/56/40/80/1043564080.db2.gz APHWRUIVHSPDFG-UHFFFAOYSA-N 2 1 397.588 3.649 20 0 GHADMP O=C1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1 ZINC001256601324 1043564443 /nfs/dbraw/zinc/56/44/43/1043564443.db2.gz PZUSRDBFONVBSP-QHCPKHFHSA-N 2 1 391.559 3.679 20 0 GHADMP Oc1ccc(Br)c(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001256604105 1043567143 /nfs/dbraw/zinc/56/71/43/1043567143.db2.gz JMEDUHSOKURTGT-UHFFFAOYSA-N 2 1 389.337 3.951 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256681586 1043619710 /nfs/dbraw/zinc/61/97/10/1043619710.db2.gz XVQLWPWWYVBHQP-DOBXKQIDSA-N 3 1 389.559 3.541 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@@H](C)Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256731651 1043639862 /nfs/dbraw/zinc/63/98/62/1043639862.db2.gz MZDCFHZLEXJOAA-HSQYWUDLSA-N 2 1 381.520 3.571 20 0 GHADMP C[C@@H](Cc1ccncc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001256744810 1043645188 /nfs/dbraw/zinc/64/51/88/1043645188.db2.gz ZFDYJWFAMNRSPF-REWPJTCUSA-N 2 1 379.548 3.768 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256857630 1043706755 /nfs/dbraw/zinc/70/67/55/1043706755.db2.gz VWGSOINEDIZIOF-QFIPXVFZSA-N 2 1 386.540 3.526 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256865717 1043710880 /nfs/dbraw/zinc/71/08/80/1043710880.db2.gz SLFPQWGGHGRRQS-FQEVSTJZSA-N 2 1 379.504 3.506 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H](c2ccccc2)C1 ZINC001256865313 1043711345 /nfs/dbraw/zinc/71/13/45/1043711345.db2.gz XNHLTZWTFXLVPP-KNQAVFIVSA-N 2 1 379.504 3.677 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256902793 1043731140 /nfs/dbraw/zinc/73/11/40/1043731140.db2.gz WHTFYOAOPLNBHV-IBGZPJMESA-N 2 1 379.552 3.595 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256902793 1043731153 /nfs/dbraw/zinc/73/11/53/1043731153.db2.gz WHTFYOAOPLNBHV-IBGZPJMESA-N 2 1 379.552 3.595 20 0 GHADMP CSc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001278974501 1043731553 /nfs/dbraw/zinc/73/15/53/1043731553.db2.gz DOEDDSXYDJZSLX-IYBDPMFKSA-N 2 1 388.503 3.685 20 0 GHADMP CSc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001278974501 1043731563 /nfs/dbraw/zinc/73/15/63/1043731563.db2.gz DOEDDSXYDJZSLX-IYBDPMFKSA-N 2 1 388.503 3.685 20 0 GHADMP CSc1ncc(C[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)cn1 ZINC001278974501 1043731570 /nfs/dbraw/zinc/73/15/70/1043731570.db2.gz DOEDDSXYDJZSLX-IYBDPMFKSA-N 2 1 388.503 3.685 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256906115 1043732614 /nfs/dbraw/zinc/73/26/14/1043732614.db2.gz WYEUNNUGFZAJHH-QGZVKYPTSA-N 2 1 377.573 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256906115 1043732628 /nfs/dbraw/zinc/73/26/28/1043732628.db2.gz WYEUNNUGFZAJHH-QGZVKYPTSA-N 2 1 377.573 3.914 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257153087 1043901698 /nfs/dbraw/zinc/90/16/98/1043901698.db2.gz CMHPKURGOOCINY-JMUQELJHSA-N 2 1 395.547 3.961 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC([N@H+](C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206884 1043936873 /nfs/dbraw/zinc/93/68/73/1043936873.db2.gz XFBLGFFYLXWDMJ-PMACEKPBSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206884 1043936878 /nfs/dbraw/zinc/93/68/78/1043936878.db2.gz XFBLGFFYLXWDMJ-PMACEKPBSA-N 2 1 379.589 3.969 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001292966421 1043968134 /nfs/dbraw/zinc/96/81/34/1043968134.db2.gz NXEFACQMUSTSCN-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001292966421 1043968136 /nfs/dbraw/zinc/96/81/36/1043968136.db2.gz NXEFACQMUSTSCN-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001293053232 1044003504 /nfs/dbraw/zinc/00/35/04/1044003504.db2.gz OTXXZHSJWHIGPG-QFIPXVFZSA-N 2 1 379.548 3.802 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001257789059 1044173253 /nfs/dbraw/zinc/17/32/53/1044173253.db2.gz CWEMGVBKSDALOU-WOIUINJBSA-N 2 1 379.589 3.878 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257961013 1044279124 /nfs/dbraw/zinc/27/91/24/1044279124.db2.gz NLRLOMDKBJCADC-ZWKOTPCHSA-N 2 1 378.944 3.655 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2CCC[NH3+])C[C@H]1Cc1ccccc1 ZINC001257990390 1044320474 /nfs/dbraw/zinc/32/04/74/1044320474.db2.gz SSRLZZVKZYBYJE-VQTJNVASSA-N 2 1 398.551 3.958 20 0 GHADMP CCOC(=O)CC1CCC(N[C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001258023395 1044350179 /nfs/dbraw/zinc/35/01/79/1044350179.db2.gz VRISQXDRANAJBB-QWFMPGPPSA-N 2 1 383.330 3.551 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(C[NH+](Cc4cc(C)nn4C)C3)CC2)s1 ZINC001279076327 1044407177 /nfs/dbraw/zinc/40/71/77/1044407177.db2.gz DLKRWDKDHHEGPZ-UHFFFAOYSA-N 2 1 376.595 3.610 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136025 1044421243 /nfs/dbraw/zinc/42/12/43/1044421243.db2.gz XTCKPLMJWGUQPM-UHFFFAOYSA-N 2 1 389.584 3.977 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@H]21 ZINC001258141996 1044429377 /nfs/dbraw/zinc/42/93/77/1044429377.db2.gz HOPHNNRFAGDMDJ-RBBKRZOGSA-N 2 1 399.579 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C[C@H]21 ZINC001258141996 1044429382 /nfs/dbraw/zinc/42/93/82/1044429382.db2.gz HOPHNNRFAGDMDJ-RBBKRZOGSA-N 2 1 399.579 3.635 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588352 1044661363 /nfs/dbraw/zinc/66/13/63/1044661363.db2.gz NIEIUBPMPQZKIZ-RJGXRXQPSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588352 1044661367 /nfs/dbraw/zinc/66/13/67/1044661367.db2.gz NIEIUBPMPQZKIZ-RJGXRXQPSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258588352 1044661372 /nfs/dbraw/zinc/66/13/72/1044661372.db2.gz NIEIUBPMPQZKIZ-RJGXRXQPSA-N 2 1 383.580 3.907 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@@H](C)Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001258617761 1044670472 /nfs/dbraw/zinc/67/04/72/1044670472.db2.gz HWYYZXYOPJNNCD-HSQYWUDLSA-N 2 1 381.520 3.571 20 0 GHADMP CCCCC[C@@H](CCC)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258670031 1044703533 /nfs/dbraw/zinc/70/35/33/1044703533.db2.gz WPJIEVAHIMHNCZ-CTNGQTDRSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCC[C@@H](CCC)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258670031 1044703538 /nfs/dbraw/zinc/70/35/38/1044703538.db2.gz WPJIEVAHIMHNCZ-CTNGQTDRSA-N 2 1 391.604 3.576 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC001258856131 1044795184 /nfs/dbraw/zinc/79/51/84/1044795184.db2.gz WAIJEFBKFFCYJY-QUCCMNQESA-N 2 1 398.547 3.755 20 0 GHADMP COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001258882139 1044832596 /nfs/dbraw/zinc/83/25/96/1044832596.db2.gz MMHGWCUPCRKEJW-VJBMBRPKSA-N 2 1 385.596 3.555 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@H]3C[C@H](C)[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001295141621 1044929537 /nfs/dbraw/zinc/92/95/37/1044929537.db2.gz CZOWEUNBXIPDIJ-RNTGTLJKSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001295141621 1044929543 /nfs/dbraw/zinc/92/95/43/1044929543.db2.gz CZOWEUNBXIPDIJ-RNTGTLJKSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001295141621 1044929549 /nfs/dbraw/zinc/92/95/49/1044929549.db2.gz CZOWEUNBXIPDIJ-RNTGTLJKSA-N 2 1 383.580 3.524 20 0 GHADMP CCN(C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296065822 1045241762 /nfs/dbraw/zinc/24/17/62/1045241762.db2.gz OOHCQGZJFJQIJY-YKSBVNFPSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065822 1045241770 /nfs/dbraw/zinc/24/17/70/1045241770.db2.gz OOHCQGZJFJQIJY-YKSBVNFPSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065822 1045241778 /nfs/dbraw/zinc/24/17/78/1045241778.db2.gz OOHCQGZJFJQIJY-YKSBVNFPSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065822 1045241789 /nfs/dbraw/zinc/24/17/89/1045241789.db2.gz OOHCQGZJFJQIJY-YKSBVNFPSA-N 2 1 391.559 3.556 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@@H+]4C3)CC2)cc1 ZINC001298695458 1045921416 /nfs/dbraw/zinc/92/14/16/1045921416.db2.gz CICDDRZZOUQKKW-PTUXOGIPSA-N 2 1 383.580 3.575 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]4C[C@@H](C)C[N@H+]4C3)CC2)cc1 ZINC001298695458 1045921427 /nfs/dbraw/zinc/92/14/27/1045921427.db2.gz CICDDRZZOUQKKW-PTUXOGIPSA-N 2 1 383.580 3.575 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cs1)c1ccccc1 ZINC001262378908 1046254007 /nfs/dbraw/zinc/25/40/07/1046254007.db2.gz OFDSUEZVMCNDIZ-WFXMLNOXSA-N 2 1 398.576 3.990 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cs1)c1ccccc1 ZINC001262378908 1046254016 /nfs/dbraw/zinc/25/40/16/1046254016.db2.gz OFDSUEZVMCNDIZ-WFXMLNOXSA-N 2 1 398.576 3.990 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001302593848 1046994037 /nfs/dbraw/zinc/99/40/37/1046994037.db2.gz MITILSYBPWETCJ-GOTSBHOMSA-N 2 1 383.580 3.779 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)cc1C(F)(F)F ZINC001303507994 1047407864 /nfs/dbraw/zinc/40/78/64/1047407864.db2.gz AQSYDVFDHIPTGJ-KRWDZBQOSA-N 2 1 395.429 3.509 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)cc1C(F)(F)F ZINC001303507994 1047407868 /nfs/dbraw/zinc/40/78/68/1047407868.db2.gz AQSYDVFDHIPTGJ-KRWDZBQOSA-N 2 1 395.429 3.509 20 0 GHADMP COc1c(Br)cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1Br ZINC000700508324 1047592087 /nfs/dbraw/zinc/59/20/87/1047592087.db2.gz SHPHIEBXJLXEHJ-JTQLQIEISA-N 2 1 394.151 3.650 20 0 GHADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](Cc3cnc(Cl)nc3)CC2)C1 ZINC001279182493 1047738929 /nfs/dbraw/zinc/73/89/29/1047738929.db2.gz WDQQCAXQDZJJBQ-UHFFFAOYSA-N 2 1 391.972 3.773 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCCN(CCC[NH+]1CCCCC1)C2 ZINC001279275719 1047753549 /nfs/dbraw/zinc/75/35/49/1047753549.db2.gz ZOYBJVOPOGRLRS-OAQYLSRUSA-N 2 1 376.614 3.615 20 0 GHADMP O=c1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cnc(Cl)s4)(C2)CCC3)[nH]1 ZINC001279277569 1047754306 /nfs/dbraw/zinc/75/43/06/1047754306.db2.gz LQOFNNJNOVFTBK-ZWKOTPCHSA-N 2 1 378.929 3.622 20 0 GHADMP O=c1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(Cl)s2)CC3)[nH]1 ZINC001279334130 1047771894 /nfs/dbraw/zinc/77/18/94/1047771894.db2.gz DRXFGHNSWPPLJK-UHFFFAOYSA-N 2 1 377.941 3.990 20 0 GHADMP O=c1cccc(CN2CCC[C@@]3(CCC[N@@H+](CC4CCSCC4)C3)C2)[nH]1 ZINC001279644345 1047887122 /nfs/dbraw/zinc/88/71/22/1047887122.db2.gz HPMXXLMVKGCADC-OAQYLSRUSA-N 2 1 375.582 3.608 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC[NH+]1CCCCC1 ZINC001305504734 1048097491 /nfs/dbraw/zinc/09/74/91/1048097491.db2.gz KHHMXUNEGUBYCT-FQEVSTJZSA-N 2 1 390.620 3.588 20 0 GHADMP CSc1ccc(Cl)cc1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001280156779 1048108181 /nfs/dbraw/zinc/10/81/81/1048108181.db2.gz OPINFTKHQQBXTF-HXUWFJFHSA-N 2 1 382.017 3.911 20 0 GHADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001305541473 1048115881 /nfs/dbraw/zinc/11/58/81/1048115881.db2.gz XRFQIZXVKTUZMY-PMACEKPBSA-N 2 1 392.636 3.831 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(C)C)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001305602183 1048176230 /nfs/dbraw/zinc/17/62/30/1048176230.db2.gz ARPCBHIERBVHFX-LJQANCHMSA-N 2 1 392.636 3.690 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670801 1049491945 /nfs/dbraw/zinc/49/19/45/1049491945.db2.gz UDTLZNYBTQAYEV-YDZRNGNQSA-N 2 1 379.589 3.922 20 0 GHADMP CCOc1ccccc1C[N@@H+]1CCN(CC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001307717205 1049531829 /nfs/dbraw/zinc/53/18/29/1049531829.db2.gz XYLZNIUYGQNRPG-OAQYLSRUSA-N 2 1 381.564 3.723 20 0 GHADMP CCOc1ccccc1C[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001307717205 1049531845 /nfs/dbraw/zinc/53/18/45/1049531845.db2.gz XYLZNIUYGQNRPG-OAQYLSRUSA-N 2 1 381.564 3.723 20 0 GHADMP CCOc1ccccc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001307717205 1049531860 /nfs/dbraw/zinc/53/18/60/1049531860.db2.gz XYLZNIUYGQNRPG-OAQYLSRUSA-N 2 1 381.564 3.723 20 0 GHADMP CCOc1ccccc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001307717205 1049531875 /nfs/dbraw/zinc/53/18/75/1049531875.db2.gz XYLZNIUYGQNRPG-OAQYLSRUSA-N 2 1 381.564 3.723 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1OCc1ccccc1 ZINC001307776756 1049584960 /nfs/dbraw/zinc/58/49/60/1049584960.db2.gz BUBVWMIHWSXEIF-DNQXCXABSA-N 2 1 394.559 3.992 20 0 GHADMP O=C(CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC001307875942 1049657507 /nfs/dbraw/zinc/65/75/07/1049657507.db2.gz ZHENMFUWCJVIER-UHFFFAOYSA-N 2 1 392.425 3.641 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1cccc(C(F)(F)F)c1 ZINC001289851202 1049657535 /nfs/dbraw/zinc/65/75/35/1049657535.db2.gz QVFJNSISMODAOX-KANFNMMFSA-N 2 1 397.485 3.545 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001307976228 1049734502 /nfs/dbraw/zinc/73/45/02/1049734502.db2.gz SMTWVEIHGYAYOL-QFIPXVFZSA-N 2 1 383.511 3.905 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C[C@@H]2C1 ZINC001307986680 1049741778 /nfs/dbraw/zinc/74/17/78/1049741778.db2.gz DGUWAADMSJUPLV-KGLIPLIRSA-N 2 1 383.389 3.883 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C[C@@H]2C1 ZINC001307986680 1049741781 /nfs/dbraw/zinc/74/17/81/1049741781.db2.gz DGUWAADMSJUPLV-KGLIPLIRSA-N 2 1 383.389 3.883 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C[C@@H]2C1 ZINC001307986680 1049741786 /nfs/dbraw/zinc/74/17/86/1049741786.db2.gz DGUWAADMSJUPLV-KGLIPLIRSA-N 2 1 383.389 3.883 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(C(F)(F)F)c4)n3)C[C@@H]2C1 ZINC001307986680 1049741789 /nfs/dbraw/zinc/74/17/89/1049741789.db2.gz DGUWAADMSJUPLV-KGLIPLIRSA-N 2 1 383.389 3.883 20 0 GHADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001308038661 1049789227 /nfs/dbraw/zinc/78/92/27/1049789227.db2.gz AKGIEPRMSBUUPH-MOPGFXCFSA-N 2 1 388.556 3.629 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2(C)C)CC1 ZINC001308053184 1049800405 /nfs/dbraw/zinc/80/04/05/1049800405.db2.gz QFQOWVTYCVPRHO-HXUWFJFHSA-N 2 1 391.987 3.897 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1)c1ccccc1 ZINC001308123074 1049866484 /nfs/dbraw/zinc/86/64/84/1049866484.db2.gz TXZYKZITORAQNV-ZYLBANNLSA-N 2 1 377.532 3.583 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1)c1ccccc1 ZINC001308123074 1049866493 /nfs/dbraw/zinc/86/64/93/1049866493.db2.gz TXZYKZITORAQNV-ZYLBANNLSA-N 2 1 377.532 3.583 20 0 GHADMP CCOc1cccc(F)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001308197054 1049909202 /nfs/dbraw/zinc/90/92/02/1049909202.db2.gz LMMAZHCUPGBJIJ-JOCHJYFZSA-N 2 1 385.527 3.693 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC001308201991 1049911102 /nfs/dbraw/zinc/91/11/02/1049911102.db2.gz AAHNZZGUSRRXHQ-MRXNPFEDSA-N 2 1 376.495 3.967 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC001308201990 1049911272 /nfs/dbraw/zinc/91/12/72/1049911272.db2.gz AAHNZZGUSRRXHQ-INIZCTEOSA-N 2 1 376.495 3.967 20 0 GHADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(Br)cnc2OC)c1 ZINC001308206032 1049912414 /nfs/dbraw/zinc/91/24/14/1049912414.db2.gz MCSRYGUIIVLWTO-UHFFFAOYSA-N 2 1 392.341 3.984 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)c2)CCO1 ZINC001308220088 1049917234 /nfs/dbraw/zinc/91/72/34/1049917234.db2.gz FPTDRVGWOOGGMW-FOVJLYNBSA-N 2 1 386.580 3.982 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)c2)CCO1 ZINC001308220088 1049917237 /nfs/dbraw/zinc/91/72/37/1049917237.db2.gz FPTDRVGWOOGGMW-FOVJLYNBSA-N 2 1 386.580 3.982 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC001290847800 1049938640 /nfs/dbraw/zinc/93/86/40/1049938640.db2.gz UNJQEBXIPMGUNG-NRFANRHFSA-N 2 1 385.939 3.507 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC001290847800 1049938641 /nfs/dbraw/zinc/93/86/41/1049938641.db2.gz UNJQEBXIPMGUNG-NRFANRHFSA-N 2 1 385.939 3.507 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC001308291894 1049940297 /nfs/dbraw/zinc/94/02/97/1049940297.db2.gz GBTAPAOYDQQTAN-UHFFFAOYSA-N 2 1 396.926 3.896 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)c1)O[C@@H](C)C2 ZINC001308488159 1049988001 /nfs/dbraw/zinc/98/80/01/1049988001.db2.gz IQZJMHSEWXYXPQ-NPPFBWRTSA-N 2 1 380.532 3.876 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)c1)O[C@@H](C)C2 ZINC001308488159 1049988004 /nfs/dbraw/zinc/98/80/04/1049988004.db2.gz IQZJMHSEWXYXPQ-NPPFBWRTSA-N 2 1 380.532 3.876 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(Br)c(Br)c3)[C@H]2C1 ZINC001308555765 1050007588 /nfs/dbraw/zinc/00/75/88/1050007588.db2.gz XPVLRXXJWMMYBA-SLEUVZQESA-N 2 1 388.147 3.641 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3nc(Br)cs3)cc2)CC1 ZINC001308757228 1050084148 /nfs/dbraw/zinc/08/41/48/1050084148.db2.gz WMYQJBJQZVICTL-UHFFFAOYSA-N 2 1 396.354 3.668 20 0 GHADMP c1ccc(C[N@@H+]2CCCCC[C@@H](NC3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC001308896061 1050145552 /nfs/dbraw/zinc/14/55/52/1050145552.db2.gz IKEDZPCAOYUAEW-DNQXCXABSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001308898339 1050147789 /nfs/dbraw/zinc/14/77/89/1050147789.db2.gz VCYPTKQGKWBWFD-HBDUWURDSA-N 2 1 399.579 3.601 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC001332898477 1051596581 /nfs/dbraw/zinc/59/65/81/1051596581.db2.gz PKRNJKBMQCHDQW-NIVHGDGRSA-N 2 1 377.532 3.802 20 0 GHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001311076534 1051830997 /nfs/dbraw/zinc/83/09/97/1051830997.db2.gz LMYFMQKLZVOTSY-IBGZPJMESA-N 2 1 381.524 3.524 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001311076534 1051831001 /nfs/dbraw/zinc/83/10/01/1051831001.db2.gz LMYFMQKLZVOTSY-IBGZPJMESA-N 2 1 381.524 3.524 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC001311499116 1052205218 /nfs/dbraw/zinc/20/52/18/1052205218.db2.gz WZVBULIGXOFHPZ-WTIAFYNJSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001311499116 1052205231 /nfs/dbraw/zinc/20/52/31/1052205231.db2.gz WZVBULIGXOFHPZ-WTIAFYNJSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001311499116 1052205245 /nfs/dbraw/zinc/20/52/45/1052205245.db2.gz WZVBULIGXOFHPZ-WTIAFYNJSA-N 2 1 398.595 3.877 20 0 GHADMP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC001311672127 1052319193 /nfs/dbraw/zinc/31/91/93/1052319193.db2.gz JHXDFNTYNORRIC-JSXRDJHFSA-N 2 1 380.621 3.553 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[NH+](C)Cc1ccccc1 ZINC001311986502 1052514902 /nfs/dbraw/zinc/51/49/02/1052514902.db2.gz LACKEMLKUGCNIH-SIKLNZKXSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001311986502 1052514912 /nfs/dbraw/zinc/51/49/12/1052514912.db2.gz LACKEMLKUGCNIH-SIKLNZKXSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001311986502 1052514922 /nfs/dbraw/zinc/51/49/22/1052514922.db2.gz LACKEMLKUGCNIH-SIKLNZKXSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001312140011 1052593459 /nfs/dbraw/zinc/59/34/59/1052593459.db2.gz CHAGTDKCTTYEQT-TXTKFYIRSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001312140011 1052593465 /nfs/dbraw/zinc/59/34/65/1052593465.db2.gz CHAGTDKCTTYEQT-TXTKFYIRSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001312140011 1052593471 /nfs/dbraw/zinc/59/34/71/1052593471.db2.gz CHAGTDKCTTYEQT-TXTKFYIRSA-N 2 1 398.595 3.555 20 0 GHADMP CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC001312268520 1052670554 /nfs/dbraw/zinc/67/05/54/1052670554.db2.gz SUNIUHXBCDIJOU-BAGYTPMASA-N 2 1 388.600 3.878 20 0 GHADMP Cc1ccc(NCCCNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)[nH+]c1 ZINC001312545126 1052785153 /nfs/dbraw/zinc/78/51/53/1052785153.db2.gz JLEVCEZUGGAZJW-UHFFFAOYSA-N 2 1 387.572 3.680 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001312648117 1052825581 /nfs/dbraw/zinc/82/55/81/1052825581.db2.gz XWBFQHWEBMRGHC-FQEVSTJZSA-N 2 1 388.600 3.838 20 0 GHADMP CN1Cc2ccccc2[C@@H]1CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001312712941 1052845571 /nfs/dbraw/zinc/84/55/71/1052845571.db2.gz INKVPPANXVCGPR-QFIPXVFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H]2c3ccccc3C[NH+]2C)CCC1 ZINC001312712941 1052845573 /nfs/dbraw/zinc/84/55/73/1052845573.db2.gz INKVPPANXVCGPR-QFIPXVFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H]2c3ccccc3C[NH+]2C)CCC1 ZINC001312712941 1052845578 /nfs/dbraw/zinc/84/55/78/1052845578.db2.gz INKVPPANXVCGPR-QFIPXVFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCC1 ZINC001312712941 1052845582 /nfs/dbraw/zinc/84/55/82/1052845582.db2.gz INKVPPANXVCGPR-QFIPXVFZSA-N 2 1 392.547 3.527 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCC1 ZINC001312712941 1052845589 /nfs/dbraw/zinc/84/55/89/1052845589.db2.gz INKVPPANXVCGPR-QFIPXVFZSA-N 2 1 392.547 3.527 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1)C1CCCCC1 ZINC001312964555 1052922195 /nfs/dbraw/zinc/92/21/95/1052922195.db2.gz VBXLRNYMVQXPBC-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)C1CCCCC1 ZINC001312964555 1052922199 /nfs/dbraw/zinc/92/21/99/1052922199.db2.gz VBXLRNYMVQXPBC-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)C1CCCCC1 ZINC001312964555 1052922200 /nfs/dbraw/zinc/92/22/00/1052922200.db2.gz VBXLRNYMVQXPBC-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001313139743 1052967793 /nfs/dbraw/zinc/96/77/93/1052967793.db2.gz RZYUNUWLMJMFBT-QFIPXVFZSA-N 2 1 388.600 3.660 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001313371078 1053034730 /nfs/dbraw/zinc/03/47/30/1053034730.db2.gz WQVBZBVQDHVFNQ-SFHVURJKSA-N 2 1 394.991 3.535 20 0 GHADMP CC1(COC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001343347598 1053719538 /nfs/dbraw/zinc/71/95/38/1053719538.db2.gz ADFURQRNBSHSJE-UHFFFAOYSA-N 2 1 390.487 3.726 20 0 GHADMP Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001343616232 1053930335 /nfs/dbraw/zinc/93/03/35/1053930335.db2.gz FHWAHHBKVQZJOP-FQEVSTJZSA-N 2 1 376.504 3.675 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001318360587 1054587313 /nfs/dbraw/zinc/58/73/13/1054587313.db2.gz YYTOIQYSUZXAFD-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001318360587 1054587322 /nfs/dbraw/zinc/58/73/22/1054587322.db2.gz YYTOIQYSUZXAFD-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001318360587 1054587327 /nfs/dbraw/zinc/58/73/27/1054587327.db2.gz YYTOIQYSUZXAFD-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001318360587 1054587335 /nfs/dbraw/zinc/58/73/35/1054587335.db2.gz YYTOIQYSUZXAFD-QHCPKHFHSA-N 2 1 398.595 3.551 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC001318505782 1054686577 /nfs/dbraw/zinc/68/65/77/1054686577.db2.gz ZQGCAGNXQSJHJD-HSZRJFAPSA-N 2 1 385.596 3.928 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC(C[NH+](C)C(C)C)CC2)c1 ZINC001318505782 1054686580 /nfs/dbraw/zinc/68/65/80/1054686580.db2.gz ZQGCAGNXQSJHJD-HSZRJFAPSA-N 2 1 385.596 3.928 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCC(C[NH+](C)C(C)C)CC2)c1 ZINC001318505782 1054686591 /nfs/dbraw/zinc/68/65/91/1054686591.db2.gz ZQGCAGNXQSJHJD-HSZRJFAPSA-N 2 1 385.596 3.928 20 0 GHADMP O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001319288756 1055158107 /nfs/dbraw/zinc/15/81/07/1055158107.db2.gz CZAFSENEWBFJRQ-VQTJNVASSA-N 2 1 387.593 3.686 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC001319911683 1055536709 /nfs/dbraw/zinc/53/67/09/1055536709.db2.gz QMKFMEQJKMWPSW-XMMPIXPASA-N 2 1 393.575 4.000 20 0 GHADMP Cc1c(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc2c[nH+]cn21 ZINC001320039900 1055616335 /nfs/dbraw/zinc/61/63/35/1055616335.db2.gz QYJPYNVSGSLMIL-UEVCKROQSA-N 2 1 388.515 3.673 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(F)c1I ZINC001200714618 1056797134 /nfs/dbraw/zinc/79/71/34/1056797134.db2.gz MEOQMCVPAALYTA-UHFFFAOYSA-N 2 1 387.240 3.505 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001322945607 1056894774 /nfs/dbraw/zinc/89/47/74/1056894774.db2.gz ZISSLCVSMHAGGZ-HSZRJFAPSA-N 2 1 395.547 3.929 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccc(F)cc1 ZINC001323003278 1056906621 /nfs/dbraw/zinc/90/66/21/1056906621.db2.gz LSSKKAGIMHERRN-FGZHOGPDSA-N 2 1 390.462 3.561 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccc(F)cc1 ZINC001323003278 1056906626 /nfs/dbraw/zinc/90/66/26/1056906626.db2.gz LSSKKAGIMHERRN-FGZHOGPDSA-N 2 1 390.462 3.561 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001324703802 1057207461 /nfs/dbraw/zinc/20/74/61/1057207461.db2.gz BPLMSETVHSBXPF-SESVDKBCSA-N 2 1 377.523 3.606 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000848897208 1057405340 /nfs/dbraw/zinc/40/53/40/1057405340.db2.gz GKANJTOTZXBAQW-CRZSVPJJSA-N 2 1 382.504 3.712 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000848897208 1057405344 /nfs/dbraw/zinc/40/53/44/1057405344.db2.gz GKANJTOTZXBAQW-CRZSVPJJSA-N 2 1 382.504 3.712 20 0 GHADMP O[C@@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000848911790 1057415703 /nfs/dbraw/zinc/41/57/03/1057415703.db2.gz IGONAZLSKDCXGS-APWZRJJASA-N 2 1 387.351 3.650 20 0 GHADMP O=C(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC001327089267 1057595698 /nfs/dbraw/zinc/59/56/98/1057595698.db2.gz JJOKEZPVPIFKLB-QFIPXVFZSA-N 2 1 397.588 3.809 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC001442090240 1058916150 /nfs/dbraw/zinc/91/61/50/1058916150.db2.gz VQRSLVIUHSIIMF-BKULYWANSA-N 2 1 385.596 3.976 20 0 GHADMP O=C([C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001442470668 1058964979 /nfs/dbraw/zinc/96/49/79/1058964979.db2.gz FZLONOHZVZJVAL-XMMPIXPASA-N 2 1 397.607 3.666 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001446258194 1059738459 /nfs/dbraw/zinc/73/84/59/1059738459.db2.gz MXIWOMNJKRANJD-IRLDBZIGSA-N 2 1 385.596 3.771 20 0 GHADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+]1CCCCC1 ZINC001446718021 1059841609 /nfs/dbraw/zinc/84/16/09/1059841609.db2.gz WOWAYVMAKGEBBP-CJRSTVEYSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001448119581 1060113529 /nfs/dbraw/zinc/11/35/29/1060113529.db2.gz JZFVRXCFFJBNFS-XZOQPEGZSA-N 2 1 381.564 3.952 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1[NH2+]CC12CCCC2 ZINC001341291277 1060556773 /nfs/dbraw/zinc/55/67/73/1060556773.db2.gz LWXAHAYETPZCLV-SFHVURJKSA-N 2 1 396.362 3.606 20 0 GHADMP C[C@@H]([NH3+])c1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cs1 ZINC001341474476 1060708844 /nfs/dbraw/zinc/70/88/44/1060708844.db2.gz XRFVYUJFNYBZQY-RNCFNFMXSA-N 2 1 387.336 3.502 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)cc1 ZINC001454688769 1061910883 /nfs/dbraw/zinc/91/08/83/1061910883.db2.gz BKOATCLAUXVNTD-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[NH+]2C2CCCC2)CCCCC1 ZINC001455494959 1062184958 /nfs/dbraw/zinc/18/49/58/1062184958.db2.gz INXGOESALHUGOR-JOCHJYFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CCCCC1 ZINC001455494959 1062184971 /nfs/dbraw/zinc/18/49/71/1062184971.db2.gz INXGOESALHUGOR-JOCHJYFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC001455494959 1062184978 /nfs/dbraw/zinc/18/49/78/1062184978.db2.gz INXGOESALHUGOR-JOCHJYFZSA-N 2 1 383.580 3.954 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC001348563516 1063218942 /nfs/dbraw/zinc/21/89/42/1063218942.db2.gz VPIJVJKABCKUHU-HSZRJFAPSA-N 2 1 394.563 3.693 20 0 GHADMP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001459316196 1064059783 /nfs/dbraw/zinc/05/97/83/1064059783.db2.gz VIJHTFBIIMRVEX-XMMPIXPASA-N 2 1 397.607 3.569 20 0 GHADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001459326414 1064064104 /nfs/dbraw/zinc/06/41/04/1064064104.db2.gz ADRMKKRWVOZKLQ-QFIPXVFZSA-N 2 1 388.939 3.678 20 0 GHADMP C[N@H+](CCCOc1cccc(Cl)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001459326414 1064064109 /nfs/dbraw/zinc/06/41/09/1064064109.db2.gz ADRMKKRWVOZKLQ-QFIPXVFZSA-N 2 1 388.939 3.678 20 0 GHADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001459326414 1064064115 /nfs/dbraw/zinc/06/41/15/1064064115.db2.gz ADRMKKRWVOZKLQ-QFIPXVFZSA-N 2 1 388.939 3.678 20 0 GHADMP C[NH+](CCCOc1cccc(Cl)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001459326414 1064064121 /nfs/dbraw/zinc/06/41/21/1064064121.db2.gz ADRMKKRWVOZKLQ-QFIPXVFZSA-N 2 1 388.939 3.678 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001438792747 1064114665 /nfs/dbraw/zinc/11/46/65/1064114665.db2.gz ZRTKQOKFBLZZOE-HSZRJFAPSA-N 2 1 393.531 3.512 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001438792747 1064114670 /nfs/dbraw/zinc/11/46/70/1064114670.db2.gz ZRTKQOKFBLZZOE-HSZRJFAPSA-N 2 1 393.531 3.512 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC001459609321 1064142417 /nfs/dbraw/zinc/14/24/17/1064142417.db2.gz LVYXFSNRJPGTDF-OFVILXPXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC001459609321 1064142423 /nfs/dbraw/zinc/14/24/23/1064142423.db2.gz LVYXFSNRJPGTDF-OFVILXPXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC001459609321 1064142427 /nfs/dbraw/zinc/14/24/27/1064142427.db2.gz LVYXFSNRJPGTDF-OFVILXPXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)[C@H]2c2ccccc2)CC1 ZINC001459609321 1064142432 /nfs/dbraw/zinc/14/24/32/1064142432.db2.gz LVYXFSNRJPGTDF-OFVILXPXSA-N 2 1 391.559 3.722 20 0 GHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617455 1064145010 /nfs/dbraw/zinc/14/50/10/1064145010.db2.gz BOFNFCXUNBOTOE-ZCYQVOJMSA-N 2 1 378.560 3.849 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617455 1064145016 /nfs/dbraw/zinc/14/50/16/1064145016.db2.gz BOFNFCXUNBOTOE-ZCYQVOJMSA-N 2 1 378.560 3.849 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617455 1064145023 /nfs/dbraw/zinc/14/50/23/1064145023.db2.gz BOFNFCXUNBOTOE-ZCYQVOJMSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617455 1064145027 /nfs/dbraw/zinc/14/50/27/1064145027.db2.gz BOFNFCXUNBOTOE-ZCYQVOJMSA-N 2 1 378.560 3.849 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459617455 1064145032 /nfs/dbraw/zinc/14/50/32/1064145032.db2.gz BOFNFCXUNBOTOE-ZCYQVOJMSA-N 2 1 378.560 3.849 20 0 GHADMP Cn1cc(C[C@H]2CC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)cn1 ZINC001459634337 1064150890 /nfs/dbraw/zinc/15/08/90/1064150890.db2.gz LUMBVKOSNNGQFH-HSZRJFAPSA-N 2 1 380.580 3.629 20 0 GHADMP COc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CCCCC2)cc1OC ZINC001459783381 1064215390 /nfs/dbraw/zinc/21/53/90/1064215390.db2.gz ALKWSIIKZDZMRK-FQEVSTJZSA-N 2 1 378.557 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2CCCCC2)cc1OC ZINC001459783381 1064215395 /nfs/dbraw/zinc/21/53/95/1064215395.db2.gz ALKWSIIKZDZMRK-FQEVSTJZSA-N 2 1 378.557 3.540 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001459871562 1064250713 /nfs/dbraw/zinc/25/07/13/1064250713.db2.gz CKWWWTUEXRAWJF-GCJKJVERSA-N 2 1 399.966 3.594 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCc1ccc(Cl)cc1 ZINC001459871562 1064250722 /nfs/dbraw/zinc/25/07/22/1064250722.db2.gz CKWWWTUEXRAWJF-GCJKJVERSA-N 2 1 399.966 3.594 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCc1ccc(Cl)cc1 ZINC001459871562 1064250730 /nfs/dbraw/zinc/25/07/30/1064250730.db2.gz CKWWWTUEXRAWJF-GCJKJVERSA-N 2 1 399.966 3.594 20 0 GHADMP CCc1ccc(C2=CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC001459873418 1064251281 /nfs/dbraw/zinc/25/12/81/1064251281.db2.gz IOXQRYKOOJWZLE-DEOSSOPVSA-N 2 1 391.559 3.757 20 0 GHADMP CCc1ccc(C2=CC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC001459873418 1064251287 /nfs/dbraw/zinc/25/12/87/1064251287.db2.gz IOXQRYKOOJWZLE-DEOSSOPVSA-N 2 1 391.559 3.757 20 0 GHADMP CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001459905915 1064266479 /nfs/dbraw/zinc/26/64/79/1064266479.db2.gz RYOZDDYYCNWRIS-JTHBVZDNSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001463402963 1064317339 /nfs/dbraw/zinc/31/73/39/1064317339.db2.gz XCFOAOHUTUTXTR-WBADGQHESA-N 2 1 383.580 3.538 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](CC)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC001464501559 1065049759 /nfs/dbraw/zinc/04/97/59/1065049759.db2.gz XNZWNOLZQGDBAP-SFHVURJKSA-N 2 1 385.474 3.689 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3ccc(Oc4cnccn4)cc3)C2)cc1 ZINC001200094699 1065200524 /nfs/dbraw/zinc/20/05/24/1065200524.db2.gz BXWZOJVWMXOEBG-QFIPXVFZSA-N 2 1 388.515 3.923 20 0 GHADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001465461183 1065635722 /nfs/dbraw/zinc/63/57/22/1065635722.db2.gz WNQQZCOWVPKEMZ-GMAHTHKFSA-N 2 1 383.580 3.937 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(CC[NH+](C)C)c3)cc2)C1 ZINC001465571507 1065722122 /nfs/dbraw/zinc/72/21/22/1065722122.db2.gz PJZWSPGEZRUIKX-IBGZPJMESA-N 2 1 395.547 3.764 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001467675723 1067412905 /nfs/dbraw/zinc/41/29/05/1067412905.db2.gz DKFVZQKMHFYBCT-SVFBPWRDSA-N 2 1 380.621 3.554 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001467744275 1067447803 /nfs/dbraw/zinc/44/78/03/1067447803.db2.gz PBIPVPKOXCHWSH-NJDAHSKKSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001467860882 1067503031 /nfs/dbraw/zinc/50/30/31/1067503031.db2.gz JCFNWWPUWNFECX-LJQANCHMSA-N 2 1 398.595 3.877 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902350 1067520775 /nfs/dbraw/zinc/52/07/75/1067520775.db2.gz CBHCKPJWTZOGRI-QUCCMNQESA-N 2 1 379.976 3.961 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902350 1067520783 /nfs/dbraw/zinc/52/07/83/1067520783.db2.gz CBHCKPJWTZOGRI-QUCCMNQESA-N 2 1 379.976 3.961 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)c1ccc(Cl)cc1 ZINC001467902350 1067520793 /nfs/dbraw/zinc/52/07/93/1067520793.db2.gz CBHCKPJWTZOGRI-QUCCMNQESA-N 2 1 379.976 3.961 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001468419724 1067725764 /nfs/dbraw/zinc/72/57/64/1067725764.db2.gz ABQXLPBUZIXPCM-QFIPXVFZSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC001468423682 1067726275 /nfs/dbraw/zinc/72/62/75/1067726275.db2.gz PSJOXNPKLTWCCI-IBGZPJMESA-N 2 1 377.960 3.714 20 0 GHADMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cccc2c1CCCC2 ZINC000849103941 1067729159 /nfs/dbraw/zinc/72/91/59/1067729159.db2.gz HAWGOLDCVDUSTQ-NRFANRHFSA-N 2 1 392.547 3.793 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001477866146 1078601528 /nfs/dbraw/zinc/60/15/28/1078601528.db2.gz YYDOGMJFJDCCFB-CEMLEFRQSA-N 2 1 388.600 3.926 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001477867392 1078602376 /nfs/dbraw/zinc/60/23/76/1078602376.db2.gz PIPQMZUCBMPQID-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001468831013 1067903466 /nfs/dbraw/zinc/90/34/66/1067903466.db2.gz LLGZQPQNBIRVAO-UXHICEINSA-N 2 1 386.584 3.681 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1cccs1 ZINC001468978872 1067942909 /nfs/dbraw/zinc/94/29/09/1067942909.db2.gz WQOINHWNNJKPMQ-AEFFLSMTSA-N 2 1 392.613 3.693 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC001469136242 1067991027 /nfs/dbraw/zinc/99/10/27/1067991027.db2.gz PKVSRYDSEHJKNI-QFIPXVFZSA-N 2 1 398.595 3.666 20 0 GHADMP CCc1ccc(C[NH+]2CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001478101027 1078717834 /nfs/dbraw/zinc/71/78/34/1078717834.db2.gz OOQKGLQLEXSBDZ-UHFFFAOYSA-N 2 1 388.600 3.585 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C)c1ccc(Cl)cc1 ZINC001470131857 1068587594 /nfs/dbraw/zinc/58/75/94/1068587594.db2.gz FIAYMJMPJXHDNF-XUVXKRRUSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1ccc(Cl)cc1 ZINC001470131857 1068587608 /nfs/dbraw/zinc/58/76/08/1068587608.db2.gz FIAYMJMPJXHDNF-XUVXKRRUSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C)c1ccc(Cl)cc1 ZINC001470131857 1068587621 /nfs/dbraw/zinc/58/76/21/1068587621.db2.gz FIAYMJMPJXHDNF-XUVXKRRUSA-N 2 1 392.975 3.601 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460315684 1068921392 /nfs/dbraw/zinc/92/13/92/1068921392.db2.gz AJFUERWWEZRPGS-KDURUIRLSA-N 2 1 396.531 3.714 20 0 GHADMP COC(=O)c1cccc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460315684 1068921394 /nfs/dbraw/zinc/92/13/94/1068921394.db2.gz AJFUERWWEZRPGS-KDURUIRLSA-N 2 1 396.531 3.714 20 0 GHADMP COC(=O)c1cccc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC001460315684 1068921398 /nfs/dbraw/zinc/92/13/98/1068921398.db2.gz AJFUERWWEZRPGS-KDURUIRLSA-N 2 1 396.531 3.714 20 0 GHADMP CN(CCSc1ccc(F)cc1F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460562617 1068997234 /nfs/dbraw/zinc/99/72/34/1068997234.db2.gz ZVMGCKJUBXPSMS-OAQYLSRUSA-N 2 1 392.515 3.626 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCC(=O)Nc1ccccc1)C2 ZINC001460634848 1069044828 /nfs/dbraw/zinc/04/48/28/1069044828.db2.gz CVHPQWJIZJHDQE-PSWAGMNNSA-N 2 1 377.532 3.859 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCC(=O)Nc1ccccc1)C2 ZINC001460634848 1069044834 /nfs/dbraw/zinc/04/48/34/1069044834.db2.gz CVHPQWJIZJHDQE-PSWAGMNNSA-N 2 1 377.532 3.859 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccccc3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001460634848 1069044839 /nfs/dbraw/zinc/04/48/39/1069044839.db2.gz CVHPQWJIZJHDQE-PSWAGMNNSA-N 2 1 377.532 3.859 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccccc3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001460634848 1069044843 /nfs/dbraw/zinc/04/48/43/1069044843.db2.gz CVHPQWJIZJHDQE-PSWAGMNNSA-N 2 1 377.532 3.859 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC001460657193 1069062514 /nfs/dbraw/zinc/06/25/14/1069062514.db2.gz UZJQSAUBZBTMJZ-SDHSZQHLSA-N 2 1 377.576 3.928 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC001460657193 1069062517 /nfs/dbraw/zinc/06/25/17/1069062517.db2.gz UZJQSAUBZBTMJZ-SDHSZQHLSA-N 2 1 377.576 3.928 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC001460657193 1069062519 /nfs/dbraw/zinc/06/25/19/1069062519.db2.gz UZJQSAUBZBTMJZ-SDHSZQHLSA-N 2 1 377.576 3.928 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C2(C3CCCCC3)CC2)CC1 ZINC001460915340 1069270958 /nfs/dbraw/zinc/27/09/58/1069270958.db2.gz PDCFDBVVDQKPCL-UHFFFAOYSA-N 2 1 383.580 3.732 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)CC1 ZINC001460954612 1069294822 /nfs/dbraw/zinc/29/48/22/1069294822.db2.gz ZXUKSHLWWNRPQH-HSZRJFAPSA-N 2 1 397.607 3.978 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)CCC(C)(C)CC1 ZINC001478831080 1078998309 /nfs/dbraw/zinc/99/83/09/1078998309.db2.gz BQOMEAVUSOLUQW-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP CN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001471376672 1073044158 /nfs/dbraw/zinc/04/41/58/1073044158.db2.gz OGNATWNATMNHTR-MHIUNMELSA-N 2 1 398.595 3.699 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)Cc1ccccc1 ZINC001478928537 1079029712 /nfs/dbraw/zinc/02/97/12/1079029712.db2.gz DPPMECRDBGTBBO-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC001478928537 1079029715 /nfs/dbraw/zinc/02/97/15/1079029715.db2.gz DPPMECRDBGTBBO-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC001478928537 1079029720 /nfs/dbraw/zinc/02/97/20/1079029720.db2.gz DPPMECRDBGTBBO-OAQYLSRUSA-N 2 1 388.600 3.851 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001478984093 1079051450 /nfs/dbraw/zinc/05/14/50/1079051450.db2.gz IYPICPIRWRISPQ-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001478984093 1079051457 /nfs/dbraw/zinc/05/14/57/1079051457.db2.gz IYPICPIRWRISPQ-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001478984093 1079051464 /nfs/dbraw/zinc/05/14/64/1079051464.db2.gz IYPICPIRWRISPQ-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC001478990882 1079054686 /nfs/dbraw/zinc/05/46/86/1079054686.db2.gz SQKGZQRCNGJNRX-HXUWFJFHSA-N 2 1 394.991 3.678 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163453 1073822057 /nfs/dbraw/zinc/82/20/57/1073822057.db2.gz JZLLLBHRDZBFTJ-CHOVIJNXSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163453 1073822068 /nfs/dbraw/zinc/82/20/68/1073822068.db2.gz JZLLLBHRDZBFTJ-CHOVIJNXSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC001473163453 1073822084 /nfs/dbraw/zinc/82/20/84/1073822084.db2.gz JZLLLBHRDZBFTJ-CHOVIJNXSA-N 2 1 391.559 3.644 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC001473288357 1073907705 /nfs/dbraw/zinc/90/77/05/1073907705.db2.gz OOZZLDRRPURKTK-UHFFFAOYSA-N 2 1 388.474 3.981 20 0 GHADMP CC[C@](C)([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)c1ccccc1 ZINC001473331025 1073923307 /nfs/dbraw/zinc/92/33/07/1073923307.db2.gz FBCJHPRQWJMCIN-VWLOTQADSA-N 2 1 393.575 3.944 20 0 GHADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473428176 1073960555 /nfs/dbraw/zinc/96/05/55/1073960555.db2.gz YHNBPSROERNQDF-JOCHJYFZSA-N 2 1 399.623 3.516 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@@H+](CC(C)C)CC3CC[NH+](C)CC3)co2)cc1 ZINC001473739171 1074117061 /nfs/dbraw/zinc/11/70/61/1074117061.db2.gz KSFMEYGVAQHKQP-UHFFFAOYSA-N 2 1 399.535 3.928 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740167 1074118198 /nfs/dbraw/zinc/11/81/98/1074118198.db2.gz BSUNZSSXOOXAOE-PTUXOGIPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740167 1074118200 /nfs/dbraw/zinc/11/82/00/1074118200.db2.gz BSUNZSSXOOXAOE-PTUXOGIPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740167 1074118201 /nfs/dbraw/zinc/11/82/01/1074118201.db2.gz BSUNZSSXOOXAOE-PTUXOGIPSA-N 2 1 383.580 3.668 20 0 GHADMP CS(C)(=O)=NCC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001473812114 1074156362 /nfs/dbraw/zinc/15/63/62/1074156362.db2.gz LYULWAQMDNFRHU-UHFFFAOYSA-N 2 1 377.598 3.612 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C4CCOCC4)C3)cc2)CC1 ZINC001473935670 1074210164 /nfs/dbraw/zinc/21/01/64/1074210164.db2.gz BULDUVXFXZECCG-LOSJGSFVSA-N 2 1 399.623 3.899 20 0 GHADMP CS[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC001473975221 1074223277 /nfs/dbraw/zinc/22/32/77/1074223277.db2.gz VVFCCGFZRMAJLJ-UGKGYDQZSA-N 2 1 392.609 3.940 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC001474084370 1074258232 /nfs/dbraw/zinc/25/82/32/1074258232.db2.gz JOHXEIXQDYDVTI-IBGZPJMESA-N 2 1 394.437 3.832 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1C(C)(C)C ZINC001474204702 1074292837 /nfs/dbraw/zinc/29/28/37/1074292837.db2.gz IWEOYOQSCZSWDM-NRFANRHFSA-N 2 1 382.548 3.849 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001474355464 1074360090 /nfs/dbraw/zinc/36/00/90/1074360090.db2.gz JYXWADMYLYDCAT-VWNXMTODSA-N 2 1 395.595 3.929 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001474355464 1074360099 /nfs/dbraw/zinc/36/00/99/1074360099.db2.gz JYXWADMYLYDCAT-VWNXMTODSA-N 2 1 395.595 3.929 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001474355464 1074360104 /nfs/dbraw/zinc/36/01/04/1074360104.db2.gz JYXWADMYLYDCAT-VWNXMTODSA-N 2 1 395.595 3.929 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C[C@]2(CCOC2)O1 ZINC001474470750 1074421666 /nfs/dbraw/zinc/42/16/66/1074421666.db2.gz OSMULOPKGMLFMO-HUVFLSCGSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1C[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C[C@]2(CCOC2)O1 ZINC001474470750 1074421669 /nfs/dbraw/zinc/42/16/69/1074421669.db2.gz OSMULOPKGMLFMO-HUVFLSCGSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1C[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C[C@]2(CCOC2)O1 ZINC001474470750 1074421671 /nfs/dbraw/zinc/42/16/71/1074421671.db2.gz OSMULOPKGMLFMO-HUVFLSCGSA-N 2 1 386.580 3.805 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506059 1074437467 /nfs/dbraw/zinc/43/74/67/1074437467.db2.gz ZUZANMZAFVSJHX-RBBKRZOGSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506059 1074437472 /nfs/dbraw/zinc/43/74/72/1074437472.db2.gz ZUZANMZAFVSJHX-RBBKRZOGSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506059 1074437476 /nfs/dbraw/zinc/43/74/76/1074437476.db2.gz ZUZANMZAFVSJHX-RBBKRZOGSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c2c1OC(F)(F)O2 ZINC001474630263 1074490689 /nfs/dbraw/zinc/49/06/89/1074490689.db2.gz KESCPLPKWHFWIT-CRAIPNDOSA-N 2 1 396.478 3.851 20 0 GHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001474686570 1074515306 /nfs/dbraw/zinc/51/53/06/1074515306.db2.gz ZVOSMDPANNEZFZ-GOSISDBHSA-N 2 1 375.520 3.903 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC001476294238 1075118477 /nfs/dbraw/zinc/11/84/77/1075118477.db2.gz OHUIBZRJDDPHCT-VQTJNVASSA-N 2 1 386.584 3.907 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@H](O)[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)C2)[C@@H]1C(C)C ZINC001550424100 1126207140 /nfs/dbraw/zinc/20/71/40/1126207140.db2.gz XZVGCDULBPEMIA-DUPRYPCISA-N 2 1 391.606 3.831 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531810 609348458 /nfs/dbraw/zinc/34/84/58/609348458.db2.gz QTBQAEUXRAZFOS-BXWFABGCSA-N 2 1 394.498 3.567 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824531810 609348460 /nfs/dbraw/zinc/34/84/60/609348460.db2.gz QTBQAEUXRAZFOS-BXWFABGCSA-N 2 1 394.498 3.567 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC001165055641 722019845 /nfs/dbraw/zinc/01/98/45/722019845.db2.gz RVSSDJJCUVGDCX-HSZRJFAPSA-N 2 1 393.579 3.778 20 0 GHADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955426 722021454 /nfs/dbraw/zinc/02/14/54/722021454.db2.gz GHLXBSILDDKBFT-UHFFFAOYSA-N 2 1 390.535 3.900 20 0 GHADMP CC(C)n1ccc2c1nc[nH+]c2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955426 722021456 /nfs/dbraw/zinc/02/14/56/722021456.db2.gz GHLXBSILDDKBFT-UHFFFAOYSA-N 2 1 390.535 3.900 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000431773754 837424382 /nfs/dbraw/zinc/42/43/82/837424382.db2.gz CDBOPTIPBHVNPJ-XMMPIXPASA-N 2 1 393.575 3.847 20 0 GHADMP C[C@H]1CCCC[C@@H]1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431780212 837474771 /nfs/dbraw/zinc/47/47/71/837474771.db2.gz XIXZAXCHBFKDSD-PZJWPPBQSA-N 2 1 392.632 3.650 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414111303 837586060 /nfs/dbraw/zinc/58/60/60/837586060.db2.gz IVVQCPXBGHDLCS-NSHGMRRFSA-N 2 1 377.960 3.543 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(C)C ZINC000655685447 837667926 /nfs/dbraw/zinc/66/79/26/837667926.db2.gz DJVDSJMROKIVLW-PXNSSMCTSA-N 2 1 376.541 3.776 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cc2)C1 ZINC000655692769 837676482 /nfs/dbraw/zinc/67/64/82/837676482.db2.gz UGFCKACOSBTAHD-ROKPMTFOSA-N 3 1 385.596 3.507 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)C1 ZINC000655692769 837676488 /nfs/dbraw/zinc/67/64/88/837676488.db2.gz UGFCKACOSBTAHD-ROKPMTFOSA-N 3 1 385.596 3.507 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)C1 ZINC000655692769 837676496 /nfs/dbraw/zinc/67/64/96/837676496.db2.gz UGFCKACOSBTAHD-ROKPMTFOSA-N 3 1 385.596 3.507 20 0 GHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655704581 837692104 /nfs/dbraw/zinc/69/21/04/837692104.db2.gz GEBBRUGYGIPBHI-GHTZIAJQSA-N 2 1 391.987 3.708 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1cccc(Br)c1 ZINC000655723928 837733783 /nfs/dbraw/zinc/73/37/83/837733783.db2.gz JKDHTXHODQVQRO-OXJNMPFZSA-N 2 1 395.385 3.861 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000472293722 834648161 /nfs/dbraw/zinc/64/81/61/834648161.db2.gz NLHQRCYNAVWMEC-DHIUTWEWSA-N 2 1 395.547 3.799 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000472293722 834648170 /nfs/dbraw/zinc/64/81/70/834648170.db2.gz NLHQRCYNAVWMEC-DHIUTWEWSA-N 2 1 395.547 3.799 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCSCC2)c1)C1CCOCC1 ZINC000657867490 834679320 /nfs/dbraw/zinc/67/93/20/834679320.db2.gz HBRVGIZYFUZLFA-IBGZPJMESA-N 2 1 378.582 3.552 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)c1c[nH]c2ccccc12 ZINC000092821703 834689082 /nfs/dbraw/zinc/68/90/82/834689082.db2.gz YBZZFJNQFKIVTQ-UHFFFAOYSA-N 2 1 376.504 3.984 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000274669517 834697051 /nfs/dbraw/zinc/69/70/51/834697051.db2.gz XMQHRZKUNCAWJW-KRWDZBQOSA-N 2 1 388.556 3.525 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2Br)C1 ZINC000650724107 834709322 /nfs/dbraw/zinc/70/93/22/834709322.db2.gz YIEJADYNHYZBQE-HYVNUMGLSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2Br)C1 ZINC000650724107 834709323 /nfs/dbraw/zinc/70/93/23/834709323.db2.gz YIEJADYNHYZBQE-HYVNUMGLSA-N 2 1 387.749 3.963 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773020 834726043 /nfs/dbraw/zinc/72/60/43/834726043.db2.gz POGVHQDTSVDCRO-QGZVFWFLSA-N 2 1 392.469 3.831 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773020 834726049 /nfs/dbraw/zinc/72/60/49/834726049.db2.gz POGVHQDTSVDCRO-QGZVFWFLSA-N 2 1 392.469 3.831 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cncc(F)c1 ZINC000583613079 834757418 /nfs/dbraw/zinc/75/74/18/834757418.db2.gz UGTAZYDGSDNHFK-WIYYLYMNSA-N 2 1 383.511 3.800 20 0 GHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657873275 834856142 /nfs/dbraw/zinc/85/61/42/834856142.db2.gz RZFZTUXNTZHIJE-AWEZNQCLSA-N 2 1 388.781 3.781 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000654969830 834880945 /nfs/dbraw/zinc/88/09/45/834880945.db2.gz KGQDTWVSEZRZTI-NHCUHLMSSA-N 2 1 385.939 3.619 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000654969830 834880955 /nfs/dbraw/zinc/88/09/55/834880955.db2.gz KGQDTWVSEZRZTI-NHCUHLMSSA-N 2 1 385.939 3.619 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc4sccc4c3)CC2)CC1 ZINC000583703181 834897960 /nfs/dbraw/zinc/89/79/60/834897960.db2.gz POGXEXLZCXKPKN-UHFFFAOYSA-N 2 1 385.577 3.714 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000151133757 835005700 /nfs/dbraw/zinc/00/57/00/835005700.db2.gz BGQGRJSFBFHZFU-OALUTQOASA-N 2 1 389.588 3.768 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000151133757 835005708 /nfs/dbraw/zinc/00/57/08/835005708.db2.gz BGQGRJSFBFHZFU-OALUTQOASA-N 2 1 389.588 3.768 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812127 835073597 /nfs/dbraw/zinc/07/35/97/835073597.db2.gz RLZZTGNZWRBFPI-XJUOHMSHSA-N 2 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812127 835073607 /nfs/dbraw/zinc/07/36/07/835073607.db2.gz RLZZTGNZWRBFPI-XJUOHMSHSA-N 3 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812127 835073616 /nfs/dbraw/zinc/07/36/16/835073616.db2.gz RLZZTGNZWRBFPI-XJUOHMSHSA-N 3 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812127 835073624 /nfs/dbraw/zinc/07/36/24/835073624.db2.gz RLZZTGNZWRBFPI-XJUOHMSHSA-N 3 1 385.596 3.663 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000583812127 835073633 /nfs/dbraw/zinc/07/36/33/835073633.db2.gz RLZZTGNZWRBFPI-XJUOHMSHSA-N 3 1 385.596 3.663 20 0 GHADMP CNC(=O)C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000584460478 835091202 /nfs/dbraw/zinc/09/12/02/835091202.db2.gz KHFKIABQQDROSE-VNXZQDSDSA-N 2 1 379.548 3.897 20 0 GHADMP CC[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001204611417 835232093 /nfs/dbraw/zinc/23/20/93/835232093.db2.gz NELKDVSVPSJNTO-UHFFFAOYSA-N 2 1 388.353 3.881 20 0 GHADMP CC(C)[NH+]1CCN(CCCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000583934254 835258949 /nfs/dbraw/zinc/25/89/49/835258949.db2.gz WNSIOIWDJJMSDQ-QFIPXVFZSA-N 2 1 375.626 3.800 20 0 GHADMP CC(C)N1CC[NH+](CCCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000583934254 835258957 /nfs/dbraw/zinc/25/89/57/835258957.db2.gz WNSIOIWDJJMSDQ-QFIPXVFZSA-N 2 1 375.626 3.800 20 0 GHADMP CC(C)N1CC[NH+](CCCS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000583934254 835258965 /nfs/dbraw/zinc/25/89/65/835258965.db2.gz WNSIOIWDJJMSDQ-QFIPXVFZSA-N 2 1 375.626 3.800 20 0 GHADMP C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000624642769 835270089 /nfs/dbraw/zinc/27/00/89/835270089.db2.gz AYMNLDXVHRCABW-LJQANCHMSA-N 2 1 379.548 3.779 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142618 835452719 /nfs/dbraw/zinc/45/27/19/835452719.db2.gz ZDAJAVLQVXNWRZ-AUSIDOKSSA-N 2 1 380.532 3.774 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000584108659 835649510 /nfs/dbraw/zinc/64/95/10/835649510.db2.gz NJHSPJKBHHVOKW-SYNHAJSKSA-N 2 1 394.968 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000274876822 835754934 /nfs/dbraw/zinc/75/49/34/835754934.db2.gz YTZBYTORTVMNAC-DENIHFKCSA-N 2 1 385.596 3.771 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000134765303 835951689 /nfs/dbraw/zinc/95/16/89/835951689.db2.gz OMHPITZCRMNWAV-SFHVURJKSA-N 2 1 392.547 3.578 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000134765303 835951697 /nfs/dbraw/zinc/95/16/97/835951697.db2.gz OMHPITZCRMNWAV-SFHVURJKSA-N 2 1 392.547 3.578 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180113723 836078068 /nfs/dbraw/zinc/07/80/68/836078068.db2.gz YBLRXKUZTCQYBC-GLCCWIKHSA-N 2 1 380.532 3.520 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000080104856 836229464 /nfs/dbraw/zinc/22/94/64/836229464.db2.gz XLVBWZQMMPFKDU-UHFFFAOYSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)n1 ZINC000548483934 844148527 /nfs/dbraw/zinc/14/85/27/844148527.db2.gz FGMSTGSAGCIAGC-REWPJTCUSA-N 2 1 389.547 3.884 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H](C)C3=CC[N@H+](C)CC3)c2c1C ZINC000511366268 836624048 /nfs/dbraw/zinc/62/40/48/836624048.db2.gz ZBFYRYKUOFFFKT-HNNXBMFYSA-N 2 1 385.581 3.966 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H](C)C3=CC[N@@H+](C)CC3)c2c1C ZINC000511366268 836624051 /nfs/dbraw/zinc/62/40/51/836624051.db2.gz ZBFYRYKUOFFFKT-HNNXBMFYSA-N 2 1 385.581 3.966 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248886395 836697663 /nfs/dbraw/zinc/69/76/63/836697663.db2.gz QKORJNYZCZGLLA-WOJBJXKFSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248886395 836697668 /nfs/dbraw/zinc/69/76/68/836697668.db2.gz QKORJNYZCZGLLA-WOJBJXKFSA-N 2 1 389.902 3.892 20 0 GHADMP CCCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c(C)c1 ZINC000175427939 836823413 /nfs/dbraw/zinc/82/34/13/836823413.db2.gz CBQSUSGFNDIVHP-IBGZPJMESA-N 2 1 390.572 3.664 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000414272978 836859241 /nfs/dbraw/zinc/85/92/41/836859241.db2.gz SLQPNFVZRLYFSC-KUWBRRTOSA-N 2 1 395.547 3.833 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000414272978 836859244 /nfs/dbraw/zinc/85/92/44/836859244.db2.gz SLQPNFVZRLYFSC-KUWBRRTOSA-N 2 1 395.547 3.833 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC000431703576 836967312 /nfs/dbraw/zinc/96/73/12/836967312.db2.gz RQFIMENTXWYBHS-PSBKLILYSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC000431703576 836967319 /nfs/dbraw/zinc/96/73/19/836967319.db2.gz RQFIMENTXWYBHS-PSBKLILYSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC000431703576 836967324 /nfs/dbraw/zinc/96/73/24/836967324.db2.gz RQFIMENTXWYBHS-PSBKLILYSA-N 2 1 386.584 3.554 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC[C@H]1[NH3+] ZINC000647497860 837054496 /nfs/dbraw/zinc/05/44/96/837054496.db2.gz YIVQZWYUESRUDT-HNAYVOBHSA-N 2 1 391.357 3.811 20 0 GHADMP C[NH+](C)CCC1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000376164816 837104424 /nfs/dbraw/zinc/10/44/24/837104424.db2.gz GRLBSYJOPNRKJD-FQEVSTJZSA-N 2 1 386.584 3.684 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000664107976 844246160 /nfs/dbraw/zinc/24/61/60/844246160.db2.gz RRDMLBGMNRPFNI-ICSRJNTNSA-N 2 1 386.584 3.537 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000177271322 837900661 /nfs/dbraw/zinc/90/06/61/837900661.db2.gz AVZJSROGGCFCLU-KRWDZBQOSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000177271322 837900667 /nfs/dbraw/zinc/90/06/67/837900667.db2.gz AVZJSROGGCFCLU-KRWDZBQOSA-N 2 1 393.597 3.949 20 0 GHADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579953607 838016789 /nfs/dbraw/zinc/01/67/89/838016789.db2.gz XTNHKEBEWAOBAS-WTIAFYNJSA-N 2 1 391.559 3.602 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893967588 844294878 /nfs/dbraw/zinc/29/48/78/844294878.db2.gz PHUVISUBPMLKQF-INIZCTEOSA-N 2 1 377.520 3.587 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000424328949 838256924 /nfs/dbraw/zinc/25/69/24/838256924.db2.gz QBVYXPKBMDDFMA-GOTSBHOMSA-N 2 1 379.548 3.551 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)C[C@H]1c1ccccc1 ZINC000424328949 838256931 /nfs/dbraw/zinc/25/69/31/838256931.db2.gz QBVYXPKBMDDFMA-GOTSBHOMSA-N 2 1 379.548 3.551 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000659319241 838278305 /nfs/dbraw/zinc/27/83/05/838278305.db2.gz LLUOWCCTWUDHIO-QMHWCDLVSA-N 2 1 377.532 3.638 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000415929540 838287881 /nfs/dbraw/zinc/28/78/81/838287881.db2.gz JBYZBTIBFLUZFI-UHFFFAOYSA-N 2 1 386.927 3.799 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000415929540 838287884 /nfs/dbraw/zinc/28/78/84/838287884.db2.gz JBYZBTIBFLUZFI-UHFFFAOYSA-N 2 1 386.927 3.799 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000415974628 838352628 /nfs/dbraw/zinc/35/26/28/838352628.db2.gz RFHGGNUQSQAYFQ-UHFFFAOYSA-N 2 1 380.536 3.578 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000047832516 838368229 /nfs/dbraw/zinc/36/82/29/838368229.db2.gz YTAVQVVLVVXMDJ-LJQANCHMSA-N 2 1 388.581 3.690 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000376764934 838713340 /nfs/dbraw/zinc/71/33/40/838713340.db2.gz OIMAAJRXCZAJTJ-FIKGOQFSSA-N 2 1 381.524 3.510 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000580071254 838797619 /nfs/dbraw/zinc/79/76/19/838797619.db2.gz MZBDCOPUHJMUDE-YPIGPJMWSA-N 2 1 383.580 3.525 20 0 GHADMP CC[C@H](C)[C@H](C)[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358255 838934920 /nfs/dbraw/zinc/93/49/20/838934920.db2.gz XVJXZYOSDWIWEK-SFTDATJTSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@H](C)[C@H](C)[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358255 838934930 /nfs/dbraw/zinc/93/49/30/838934930.db2.gz XVJXZYOSDWIWEK-SFTDATJTSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@H](C)[C@H](C)[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358255 838934946 /nfs/dbraw/zinc/93/49/46/838934946.db2.gz XVJXZYOSDWIWEK-SFTDATJTSA-N 2 1 385.596 3.928 20 0 GHADMP Brc1ccccc1-c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415038964 839101432 /nfs/dbraw/zinc/10/14/32/839101432.db2.gz MQTXMWKRODENLS-QGZVFWFLSA-N 2 1 375.310 3.584 20 0 GHADMP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052330 839121622 /nfs/dbraw/zinc/12/16/22/839121622.db2.gz KPSKYXDZAOYQDQ-CGSZWWBZSA-N 2 1 385.596 3.916 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OCc1cccnc1 ZINC000415054162 839132139 /nfs/dbraw/zinc/13/21/39/839132139.db2.gz PLVJPPINTAOWNH-SFTDATJTSA-N 2 1 381.520 3.633 20 0 GHADMP CCC[N@H+](Cc1ccc2oc(=O)oc2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000894027623 844408292 /nfs/dbraw/zinc/40/82/92/844408292.db2.gz RXTAXRYGCMXRHR-UHFFFAOYSA-N 2 1 396.491 3.674 20 0 GHADMP CCC[N@@H+](Cc1ccc2oc(=O)oc2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000894027623 844408298 /nfs/dbraw/zinc/40/82/98/844408298.db2.gz RXTAXRYGCMXRHR-UHFFFAOYSA-N 2 1 396.491 3.674 20 0 GHADMP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cc2)n1 ZINC000415086803 839187215 /nfs/dbraw/zinc/18/72/15/839187215.db2.gz UXVZUCPECVKTMW-SFTDATJTSA-N 2 1 376.504 3.924 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)c(Cl)c3)CC2)C1 ZINC000415126116 839233963 /nfs/dbraw/zinc/23/39/63/839233963.db2.gz PGADFYCHPCWPAK-PBHICJAKSA-N 2 1 387.749 3.821 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000622752283 839424703 /nfs/dbraw/zinc/42/47/03/839424703.db2.gz YNKNBSDQKOJTRZ-PKTZIBPZSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000622752283 839424706 /nfs/dbraw/zinc/42/47/06/839424706.db2.gz YNKNBSDQKOJTRZ-PKTZIBPZSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000622752283 839424709 /nfs/dbraw/zinc/42/47/09/839424709.db2.gz YNKNBSDQKOJTRZ-PKTZIBPZSA-N 2 1 383.580 3.559 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C(F)(F)F)c1 ZINC000510326733 839509500 /nfs/dbraw/zinc/50/95/00/839509500.db2.gz YEEZWLHZKHOBEE-QYZOEREBSA-N 2 1 397.485 3.831 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C(F)(F)F)c1 ZINC000510326733 839509508 /nfs/dbraw/zinc/50/95/08/839509508.db2.gz YEEZWLHZKHOBEE-QYZOEREBSA-N 2 1 397.485 3.831 20 0 GHADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000160522028 839689478 /nfs/dbraw/zinc/68/94/78/839689478.db2.gz GKLMKGQRBWIYHI-MOPGFXCFSA-N 2 1 397.604 3.645 20 0 GHADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000580705298 840029086 /nfs/dbraw/zinc/02/90/86/840029086.db2.gz SPQAEGHUUKLJTP-NZQKXSOJSA-N 2 1 394.559 3.842 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001167433907 840150220 /nfs/dbraw/zinc/15/02/20/840150220.db2.gz OWZRTHWAPKDYQW-GOSISDBHSA-N 2 1 389.367 3.785 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC001167433907 840150229 /nfs/dbraw/zinc/15/02/29/840150229.db2.gz OWZRTHWAPKDYQW-GOSISDBHSA-N 2 1 389.367 3.785 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000580797020 840191884 /nfs/dbraw/zinc/19/18/84/840191884.db2.gz NPOQVFUKDIUMBP-RDPSFJRHSA-N 2 1 382.548 3.850 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000418466374 840278600 /nfs/dbraw/zinc/27/86/00/840278600.db2.gz REIKWSAPEAWPTN-FQEVSTJZSA-N 2 1 394.563 3.556 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1)CC(C)C ZINC000418469021 840279930 /nfs/dbraw/zinc/27/99/30/840279930.db2.gz AWYUCVZVXWJMRU-IBGZPJMESA-N 2 1 388.600 3.996 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000580834673 840309940 /nfs/dbraw/zinc/30/99/40/840309940.db2.gz QTPHAGQQPSOJCA-LCLWPZTBSA-N 2 1 379.504 3.865 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000580834673 840309953 /nfs/dbraw/zinc/30/99/53/840309953.db2.gz QTPHAGQQPSOJCA-LCLWPZTBSA-N 2 1 379.504 3.865 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417032285 840393315 /nfs/dbraw/zinc/39/33/15/840393315.db2.gz DVDQRULGWOVECT-XMSQKQJNSA-N 2 1 382.552 3.793 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C1CCCCC1 ZINC000432009324 840525224 /nfs/dbraw/zinc/52/52/24/840525224.db2.gz ZTKVXPZVXPLAKI-BRWVUGGUSA-N 2 1 391.522 3.522 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc4c(c3)CCO4)CC2)c1C ZINC000584687534 840558919 /nfs/dbraw/zinc/55/89/19/840558919.db2.gz BQIQOAMPMXVVAK-UHFFFAOYSA-N 2 1 395.547 3.738 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc4c(c3)CCO4)CC2)c1C ZINC000584687534 840558924 /nfs/dbraw/zinc/55/89/24/840558924.db2.gz BQIQOAMPMXVVAK-UHFFFAOYSA-N 2 1 395.547 3.738 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC000417225112 840605080 /nfs/dbraw/zinc/60/50/80/840605080.db2.gz RZHFKQUFRDXXSE-UHFFFAOYSA-N 2 1 398.595 3.736 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(=O)C(C)C)cc3)CC2)CC1 ZINC000581260276 840963321 /nfs/dbraw/zinc/96/33/21/840963321.db2.gz HUDYLHPBJSGVSL-UHFFFAOYSA-N 2 1 385.552 3.660 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N(CCC[NH3+])CC2CCCC2)[C@H]1c1cccs1 ZINC000417730245 841162638 /nfs/dbraw/zinc/16/26/38/841162638.db2.gz DIUQFWFZVGYEOS-QUCCMNQESA-N 2 1 392.613 3.682 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000511647442 841317936 /nfs/dbraw/zinc/31/79/36/841317936.db2.gz JWVZDNLTXLNMOA-QFIPXVFZSA-N 2 1 387.612 3.855 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000511647442 841317947 /nfs/dbraw/zinc/31/79/47/841317947.db2.gz JWVZDNLTXLNMOA-QFIPXVFZSA-N 2 1 387.612 3.855 20 0 GHADMP COc1ccc2c(c1)CC[NH+](CCC[N@@H+]1CCc3ccc(OC)cc3CC1)CC2 ZINC000487348207 841339675 /nfs/dbraw/zinc/33/96/75/841339675.db2.gz ARPHSRHBJRSPSU-UHFFFAOYSA-N 2 1 394.559 3.595 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000364228142 841448669 /nfs/dbraw/zinc/44/86/69/841448669.db2.gz YSXMPOSOBKVTAI-HSZRJFAPSA-N 2 1 398.595 3.512 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662799171 841647088 /nfs/dbraw/zinc/64/70/88/841647088.db2.gz UHDMMJASWFRNIL-ZWKOTPCHSA-N 2 1 393.934 3.781 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662799171 841647094 /nfs/dbraw/zinc/64/70/94/841647094.db2.gz UHDMMJASWFRNIL-ZWKOTPCHSA-N 2 1 393.934 3.781 20 0 GHADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000430634091 841934527 /nfs/dbraw/zinc/93/45/27/841934527.db2.gz QVLVCQRXKFHKTC-ISKFKSNPSA-N 2 1 377.532 3.510 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000623637846 861260952 /nfs/dbraw/zinc/26/09/52/861260952.db2.gz MWBUOUVWVIDOLP-AZUAARDMSA-N 2 1 396.522 3.586 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000623637846 861260965 /nfs/dbraw/zinc/26/09/65/861260965.db2.gz MWBUOUVWVIDOLP-AZUAARDMSA-N 2 1 396.522 3.586 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000581714423 842085168 /nfs/dbraw/zinc/08/51/68/842085168.db2.gz DTLSWBYVBOBCRI-WIYYLYMNSA-N 2 1 392.547 3.849 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccn3ccnc3c2)C1 ZINC000177923560 861284407 /nfs/dbraw/zinc/28/44/07/861284407.db2.gz NIKZLXRNBGWJNF-SFHVURJKSA-N 2 1 391.519 3.566 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448279 842238961 /nfs/dbraw/zinc/23/89/61/842238961.db2.gz SEKFZISHBARYFL-BEFAXECRSA-N 2 1 381.358 3.917 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]([NH2+]C(C)C)C3)c2c1C ZINC000585741328 842242481 /nfs/dbraw/zinc/24/24/81/842242481.db2.gz HUBDNYKEUSIPKU-KRWDZBQOSA-N 2 1 387.597 3.871 20 0 GHADMP COc1c[nH+]ccc1N1CC[NH+](CCCC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000483219913 861296939 /nfs/dbraw/zinc/29/69/39/861296939.db2.gz MONFNWFAHIOWCV-UHFFFAOYSA-N 2 1 396.535 3.556 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000581851391 842295736 /nfs/dbraw/zinc/29/57/36/842295736.db2.gz KHDROKZATOGKFQ-UHFFFAOYSA-N 2 1 378.442 3.951 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000652362461 842370707 /nfs/dbraw/zinc/37/07/07/842370707.db2.gz HUOFXOJRPOWQKA-XOKHGSTOSA-N 2 1 383.323 3.502 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cn3cc(Cl)cc(Cl)c3n2)C1 ZINC000652362461 842370719 /nfs/dbraw/zinc/37/07/19/842370719.db2.gz HUOFXOJRPOWQKA-XOKHGSTOSA-N 2 1 383.323 3.502 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CCCO1 ZINC000432409781 842401362 /nfs/dbraw/zinc/40/13/62/842401362.db2.gz IXQXJXPAIMPZEE-QAPCUYQASA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CCCO1 ZINC000432409781 842401365 /nfs/dbraw/zinc/40/13/65/842401365.db2.gz IXQXJXPAIMPZEE-QAPCUYQASA-N 2 1 397.357 3.753 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000430676466 842454556 /nfs/dbraw/zinc/45/45/56/842454556.db2.gz DNUQSPLGYIAIHK-XMMPIXPASA-N 2 1 397.607 3.761 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000512129154 842591301 /nfs/dbraw/zinc/59/13/01/842591301.db2.gz UWCFEKNKKLWFKX-BEFAXECRSA-N 2 1 397.485 3.855 20 0 GHADMP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647198148 842600110 /nfs/dbraw/zinc/60/01/10/842600110.db2.gz HPKSWHARUXQJCZ-SFTDATJTSA-N 2 1 378.516 3.786 20 0 GHADMP COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647198148 842600118 /nfs/dbraw/zinc/60/01/18/842600118.db2.gz HPKSWHARUXQJCZ-SFTDATJTSA-N 2 1 378.516 3.786 20 0 GHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1OC ZINC000474893570 861326961 /nfs/dbraw/zinc/32/69/61/861326961.db2.gz YEYDZVUCBBNYHZ-RBUKOAKNSA-N 2 1 390.568 3.821 20 0 GHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC000581953412 842799418 /nfs/dbraw/zinc/79/94/18/842799418.db2.gz OBMRJBDSQWENJL-RXVVDRJESA-N 2 1 379.504 3.532 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000512183241 842805902 /nfs/dbraw/zinc/80/59/02/842805902.db2.gz GDQFQZNLTJUTQI-HZPDHXFCSA-N 2 1 398.494 3.618 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H](OC(F)F)C1)CC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000663724036 842910682 /nfs/dbraw/zinc/91/06/82/842910682.db2.gz LOCZQKCVUXHNCV-PHZGNYQRSA-N 2 1 384.458 3.810 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H](OC(F)F)C1)CC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000663724036 842910693 /nfs/dbraw/zinc/91/06/93/842910693.db2.gz LOCZQKCVUXHNCV-PHZGNYQRSA-N 2 1 384.458 3.810 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@H](OC(F)F)C1)CC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000663724036 842910700 /nfs/dbraw/zinc/91/07/00/842910700.db2.gz LOCZQKCVUXHNCV-PHZGNYQRSA-N 2 1 384.458 3.810 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430778206 842968794 /nfs/dbraw/zinc/96/87/94/842968794.db2.gz PMAXFVDQWHJTIV-SJLPKXTDSA-N 2 1 397.485 3.866 20 0 GHADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC001167492970 843059913 /nfs/dbraw/zinc/05/99/13/843059913.db2.gz VFKDREWPWLQVGI-KMDXXIMOSA-N 2 1 393.575 3.982 20 0 GHADMP COCC[NH+]1CCC([NH2+]CC2(c3ccccc3Br)CCC2)CC1 ZINC000426329978 843111950 /nfs/dbraw/zinc/11/19/50/843111950.db2.gz IMSHZFMSICSFEK-UHFFFAOYSA-N 2 1 381.358 3.571 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000548393533 843124296 /nfs/dbraw/zinc/12/42/96/843124296.db2.gz RUOVCIMZAXWZOB-UHFFFAOYSA-N 2 1 397.607 3.837 20 0 GHADMP Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)n2)c1 ZINC000279553176 843132650 /nfs/dbraw/zinc/13/26/50/843132650.db2.gz RAADXFXFBIWTNZ-DLBZAZTESA-N 2 1 394.523 3.527 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccccc1Cl ZINC000662343341 843153133 /nfs/dbraw/zinc/15/31/33/843153133.db2.gz OSFBIZBVRFPUHE-LAUBAEHRSA-N 2 1 385.939 3.751 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662388269 843184110 /nfs/dbraw/zinc/18/41/10/843184110.db2.gz NHSBDTNOFPFCMX-UHFFFAOYSA-N 2 1 393.491 3.762 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000178706178 861399279 /nfs/dbraw/zinc/39/92/79/861399279.db2.gz YYPMZNAUUBTTAX-UONOGXRCSA-N 2 1 398.429 3.733 20 0 GHADMP CCC[N@H+](CCOc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512281954 843308518 /nfs/dbraw/zinc/30/85/18/843308518.db2.gz LDPPFRQSDDRXDX-UHFFFAOYSA-N 2 1 386.515 3.992 20 0 GHADMP CCC[N@@H+](CCOc1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512281954 843308524 /nfs/dbraw/zinc/30/85/24/843308524.db2.gz LDPPFRQSDDRXDX-UHFFFAOYSA-N 2 1 386.515 3.992 20 0 GHADMP CCC[N@H+](Cc1cn2ccsc2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278691 843310112 /nfs/dbraw/zinc/31/01/12/843310112.db2.gz KKDFDDGGMHXCMN-UHFFFAOYSA-N 2 1 384.553 3.684 20 0 GHADMP CCC[N@@H+](Cc1cn2ccsc2n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512278691 843310126 /nfs/dbraw/zinc/31/01/26/843310126.db2.gz KKDFDDGGMHXCMN-UHFFFAOYSA-N 2 1 384.553 3.684 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000933815474 843335304 /nfs/dbraw/zinc/33/53/04/843335304.db2.gz DSBIWDBPQKJWNU-OAQYLSRUSA-N 2 1 395.547 3.860 20 0 GHADMP CCc1ccc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000432660783 843368814 /nfs/dbraw/zinc/36/88/14/843368814.db2.gz SZOBYNYDSSAASO-HXUWFJFHSA-N 2 1 383.561 3.893 20 0 GHADMP CCc1ccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000432660783 843368827 /nfs/dbraw/zinc/36/88/27/843368827.db2.gz SZOBYNYDSSAASO-HXUWFJFHSA-N 2 1 383.561 3.893 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000555611865 861415420 /nfs/dbraw/zinc/41/54/20/861415420.db2.gz FGIQVNBNKYXBSA-JOCHJYFZSA-N 2 1 380.532 3.714 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000431044423 843500508 /nfs/dbraw/zinc/50/05/08/843500508.db2.gz WKCJYXQDERWNAQ-HJNYFJLDSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000431044423 843500516 /nfs/dbraw/zinc/50/05/16/843500516.db2.gz WKCJYXQDERWNAQ-HJNYFJLDSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000431044423 843500527 /nfs/dbraw/zinc/50/05/27/843500527.db2.gz WKCJYXQDERWNAQ-HJNYFJLDSA-N 2 1 383.580 3.810 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000673705874 861430297 /nfs/dbraw/zinc/43/02/97/861430297.db2.gz CXBFILCWXHIUTD-FYYLOGMGSA-N 2 1 398.595 3.587 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512397302 843652103 /nfs/dbraw/zinc/65/21/03/843652103.db2.gz CJBMLAONDIZSBY-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397634 843655602 /nfs/dbraw/zinc/65/56/02/843655602.db2.gz GXDZCFNAILBWLD-IRLDBZIGSA-N 2 1 388.600 3.516 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001167821823 843708802 /nfs/dbraw/zinc/70/88/02/843708802.db2.gz FVUFLIFLESZDCG-BAGYTPMASA-N 2 1 375.557 3.594 20 0 GHADMP C[C@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182395229 843720134 /nfs/dbraw/zinc/72/01/34/843720134.db2.gz GGAOSMHUULZGLI-SIKLNZKXSA-N 2 1 398.595 3.735 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000510900352 843754387 /nfs/dbraw/zinc/75/43/87/843754387.db2.gz SJRICSKDBKGGAH-OALUTQOASA-N 2 1 397.567 3.559 20 0 GHADMP Cc1cccc(C)c1OCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512445128 843821050 /nfs/dbraw/zinc/82/10/50/843821050.db2.gz WRVZEEJVOVKEDT-DEOSSOPVSA-N 2 1 393.575 3.574 20 0 GHADMP Cc1cccc(C)c1OCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512445128 843821065 /nfs/dbraw/zinc/82/10/65/843821065.db2.gz WRVZEEJVOVKEDT-DEOSSOPVSA-N 2 1 393.575 3.574 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3cccc4ccccc43)cn2)CC1 ZINC000092477476 843841701 /nfs/dbraw/zinc/84/17/01/843841701.db2.gz WIEPWIHGLSVAFD-HSZRJFAPSA-N 2 1 387.531 3.719 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3cccc4ccccc43)cn2)CC1 ZINC000092477476 843841710 /nfs/dbraw/zinc/84/17/10/843841710.db2.gz WIEPWIHGLSVAFD-HSZRJFAPSA-N 2 1 387.531 3.719 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)cc2)C1 ZINC000500696106 843846949 /nfs/dbraw/zinc/84/69/49/843846949.db2.gz FRWNVQHXBHOXSJ-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)C1 ZINC000500696106 843846962 /nfs/dbraw/zinc/84/69/62/843846962.db2.gz FRWNVQHXBHOXSJ-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)C1 ZINC000500696106 843846966 /nfs/dbraw/zinc/84/69/66/843846966.db2.gz FRWNVQHXBHOXSJ-IYRWYFENSA-N 2 1 398.595 3.591 20 0 GHADMP Clc1ccc(OCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512457967 843860209 /nfs/dbraw/zinc/86/02/09/843860209.db2.gz XFRPTEHJDYXTCH-QFIPXVFZSA-N 2 1 399.966 3.611 20 0 GHADMP Clc1ccc(OCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512457967 843860218 /nfs/dbraw/zinc/86/02/18/843860218.db2.gz XFRPTEHJDYXTCH-QFIPXVFZSA-N 2 1 399.966 3.611 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000536235465 844007682 /nfs/dbraw/zinc/00/76/82/844007682.db2.gz WYWFXOWXGSORKJ-YADHBBJMSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536235465 844007691 /nfs/dbraw/zinc/00/76/91/844007691.db2.gz WYWFXOWXGSORKJ-YADHBBJMSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000536235465 844007699 /nfs/dbraw/zinc/00/76/99/844007699.db2.gz WYWFXOWXGSORKJ-YADHBBJMSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1C(F)(F)F ZINC000899672228 861483857 /nfs/dbraw/zinc/48/38/57/861483857.db2.gz VHJOKVKJHQEBOB-UHFFFAOYSA-N 2 1 396.413 3.603 20 0 GHADMP c1ncn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)c2)n1 ZINC000512626305 844805000 /nfs/dbraw/zinc/80/50/00/844805000.db2.gz TUSCCMDOZCYPKP-OEMFJLHTSA-N 2 1 387.531 3.658 20 0 GHADMP CN(CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512635144 844843892 /nfs/dbraw/zinc/84/38/92/844843892.db2.gz GCJRVEVZKZGWOR-VAMGGRTRSA-N 2 1 383.502 3.761 20 0 GHADMP c1c(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCCC2 ZINC000512662618 844916105 /nfs/dbraw/zinc/91/61/05/844916105.db2.gz ZBJQOTPZLGOWEW-MDNUFGMLSA-N 2 1 378.564 3.652 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(C3)CC[NH+](C)CC4)c2c1C ZINC000663921550 844934093 /nfs/dbraw/zinc/93/40/93/844934093.db2.gz VGPVGQDQGXDVSM-UHFFFAOYSA-N 2 1 399.608 3.826 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000179305448 861527734 /nfs/dbraw/zinc/52/77/34/861527734.db2.gz BSAXEHBTVLRANU-UXHICEINSA-N 2 1 386.927 3.969 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000179305448 861527747 /nfs/dbraw/zinc/52/77/47/861527747.db2.gz BSAXEHBTVLRANU-UXHICEINSA-N 2 1 386.927 3.969 20 0 GHADMP CN(C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccccc1 ZINC000433060096 845101585 /nfs/dbraw/zinc/10/15/85/845101585.db2.gz WTSPQTVPFBUNQN-UHFFFAOYSA-N 2 1 377.532 3.638 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181641415 845254944 /nfs/dbraw/zinc/25/49/44/845254944.db2.gz CAIWGCMRTWAYDH-JLMWRMLUSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000181641415 845254960 /nfs/dbraw/zinc/25/49/60/845254960.db2.gz CAIWGCMRTWAYDH-JLMWRMLUSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000181641415 845254971 /nfs/dbraw/zinc/25/49/71/845254971.db2.gz CAIWGCMRTWAYDH-JLMWRMLUSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181641415 845254981 /nfs/dbraw/zinc/25/49/81/845254981.db2.gz CAIWGCMRTWAYDH-JLMWRMLUSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181641415 845254992 /nfs/dbraw/zinc/25/49/92/845254992.db2.gz CAIWGCMRTWAYDH-JLMWRMLUSA-N 2 1 387.543 3.559 20 0 GHADMP Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179396987 861562883 /nfs/dbraw/zinc/56/28/83/861562883.db2.gz HUFXIDUNWKBRLX-FQEVSTJZSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000131658638 861557990 /nfs/dbraw/zinc/55/79/90/861557990.db2.gz QSRUPYYXWZOJGJ-JUXOCIIHSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000131658638 861557997 /nfs/dbraw/zinc/55/79/97/861557997.db2.gz QSRUPYYXWZOJGJ-JUXOCIIHSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[NH+]1CCc2ccccc2C1 ZINC000131658638 861558008 /nfs/dbraw/zinc/55/80/08/861558008.db2.gz QSRUPYYXWZOJGJ-JUXOCIIHSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCc2ccccc2C1 ZINC000131658638 861558018 /nfs/dbraw/zinc/55/80/18/861558018.db2.gz QSRUPYYXWZOJGJ-JUXOCIIHSA-N 2 1 397.588 3.694 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)[C@@H](C)C1 ZINC000892105662 845815190 /nfs/dbraw/zinc/81/51/90/845815190.db2.gz NFBJZVQRCDMBLP-SCLBCKFNSA-N 2 1 382.346 3.570 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)[C@@H](C)C1 ZINC000892105662 845815197 /nfs/dbraw/zinc/81/51/97/845815197.db2.gz NFBJZVQRCDMBLP-SCLBCKFNSA-N 2 1 382.346 3.570 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)[C@@H](C)C1 ZINC000892105662 845815206 /nfs/dbraw/zinc/81/52/06/845815206.db2.gz NFBJZVQRCDMBLP-SCLBCKFNSA-N 2 1 382.346 3.570 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)[C@@H](C)C1 ZINC000892105662 845815218 /nfs/dbraw/zinc/81/52/18/845815218.db2.gz NFBJZVQRCDMBLP-SCLBCKFNSA-N 2 1 382.346 3.570 20 0 GHADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167529341 846076744 /nfs/dbraw/zinc/07/67/44/846076744.db2.gz JEXMWKCQDQWAKY-NFBKMPQASA-N 2 1 385.596 3.773 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)cc1 ZINC000157736230 846152922 /nfs/dbraw/zinc/15/29/22/846152922.db2.gz NFGVNHPNRZDAOD-MSOLQXFVSA-N 2 1 391.519 3.652 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C[C@H]21 ZINC000520583205 861645753 /nfs/dbraw/zinc/64/57/53/861645753.db2.gz LYJMKTBYZBCEBC-NJDAHSKKSA-N 2 1 375.516 3.509 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C[C@H]21 ZINC000520583205 861645773 /nfs/dbraw/zinc/64/57/73/861645773.db2.gz LYJMKTBYZBCEBC-NJDAHSKKSA-N 2 1 375.516 3.509 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(C4CCCC4)s3)CC2)CC1 ZINC000421382499 846198710 /nfs/dbraw/zinc/19/87/10/846198710.db2.gz XSWILJWPSZVGFQ-UHFFFAOYSA-N 2 1 376.614 3.793 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513667180 846214129 /nfs/dbraw/zinc/21/41/29/846214129.db2.gz PVOGZWZOYFPKFA-XKCSPQBFSA-N 2 1 396.579 3.772 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513667180 846214146 /nfs/dbraw/zinc/21/41/46/846214146.db2.gz PVOGZWZOYFPKFA-XKCSPQBFSA-N 2 1 396.579 3.772 20 0 GHADMP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000502648269 846314102 /nfs/dbraw/zinc/31/41/02/846314102.db2.gz MLURRNAVQPVOSN-KREBGBLKSA-N 2 1 378.605 3.592 20 0 GHADMP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)n(-c2ccncc2)n1 ZINC000657337490 846334075 /nfs/dbraw/zinc/33/40/75/846334075.db2.gz XAJAZQBXDVWKQL-UHFFFAOYSA-N 2 1 375.520 3.933 20 0 GHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280434360 846405796 /nfs/dbraw/zinc/40/57/96/846405796.db2.gz XRBPNTJPBUNKGF-KRWDZBQOSA-N 2 1 379.483 3.722 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000502828646 846523329 /nfs/dbraw/zinc/52/33/29/846523329.db2.gz MMOKZAOFEJFHEF-MOPGFXCFSA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000502828646 846523338 /nfs/dbraw/zinc/52/33/38/846523338.db2.gz MMOKZAOFEJFHEF-MOPGFXCFSA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000502828646 846523348 /nfs/dbraw/zinc/52/33/48/846523348.db2.gz MMOKZAOFEJFHEF-MOPGFXCFSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000502849168 846543136 /nfs/dbraw/zinc/54/31/36/846543136.db2.gz WSQVKBHNHFEKTL-PCCBWWKXSA-N 2 1 380.621 3.556 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000502849168 846543140 /nfs/dbraw/zinc/54/31/40/846543140.db2.gz WSQVKBHNHFEKTL-PCCBWWKXSA-N 2 1 380.621 3.556 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000502849168 846543147 /nfs/dbraw/zinc/54/31/47/846543147.db2.gz WSQVKBHNHFEKTL-PCCBWWKXSA-N 2 1 380.621 3.556 20 0 GHADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501031828 846549040 /nfs/dbraw/zinc/54/90/40/846549040.db2.gz ZYZREIWKXYHONA-LJQANCHMSA-N 2 1 380.536 3.874 20 0 GHADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000421855669 846622980 /nfs/dbraw/zinc/62/29/80/846622980.db2.gz NGAUUQZJRCBAHT-HNNXBMFYSA-N 2 1 377.916 3.925 20 0 GHADMP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501084308 846628328 /nfs/dbraw/zinc/62/83/28/846628328.db2.gz FHAFCMNXFGPJIQ-UXHICEINSA-N 2 1 394.563 3.538 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000501085466 846629777 /nfs/dbraw/zinc/62/97/77/846629777.db2.gz ZSJOSVUZKCWDDE-JOCHJYFZSA-N 2 1 396.510 3.565 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1C(F)(F)F ZINC000414426589 846795639 /nfs/dbraw/zinc/79/56/39/846795639.db2.gz HRVOPHLZVYMHEQ-IBGZPJMESA-N 2 1 378.438 3.870 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000501415334 846900088 /nfs/dbraw/zinc/90/00/88/846900088.db2.gz WTIUUCNHSPUZGT-WLGQOEQESA-N 2 1 397.485 3.641 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000501415334 846900097 /nfs/dbraw/zinc/90/00/97/846900097.db2.gz WTIUUCNHSPUZGT-WLGQOEQESA-N 2 1 397.485 3.641 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000501574955 847032301 /nfs/dbraw/zinc/03/23/01/847032301.db2.gz JVKRMWOLZFWYPJ-WOJBJXKFSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnn(CC(F)F)c3)cc2)C1 ZINC000509946061 847050578 /nfs/dbraw/zinc/05/05/78/847050578.db2.gz WJUFHXZQVIUUNR-CALCHBBNSA-N 2 1 376.495 3.916 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344585 847121620 /nfs/dbraw/zinc/12/16/20/847121620.db2.gz UEDSKZNFEOCOSM-VQIMIIECSA-N 2 1 390.597 3.661 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000501837253 847268896 /nfs/dbraw/zinc/26/88/96/847268896.db2.gz ORHPJBVIVIAFPM-XMMPIXPASA-N 2 1 391.559 3.606 20 0 GHADMP O=C1[C@H](N2CCC[C@H](c3ncc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441942 847707720 /nfs/dbraw/zinc/70/77/20/847707720.db2.gz PGORQKCDMUTVRY-LAUBAEHRSA-N 2 1 396.510 3.734 20 0 GHADMP C[N@@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)c2ccccc2C1 ZINC000511170017 847712490 /nfs/dbraw/zinc/71/24/90/847712490.db2.gz KIDPQVAIMGZHIG-HXUWFJFHSA-N 2 1 399.485 3.622 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)c2ccccc2C1 ZINC000511170017 847712492 /nfs/dbraw/zinc/71/24/92/847712492.db2.gz KIDPQVAIMGZHIG-HXUWFJFHSA-N 2 1 399.485 3.622 20 0 GHADMP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c2ccccc2C1 ZINC000511170017 847712495 /nfs/dbraw/zinc/71/24/95/847712495.db2.gz KIDPQVAIMGZHIG-HXUWFJFHSA-N 2 1 399.485 3.622 20 0 GHADMP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c2ccccc2C1 ZINC000511170017 847712497 /nfs/dbraw/zinc/71/24/97/847712497.db2.gz KIDPQVAIMGZHIG-HXUWFJFHSA-N 2 1 399.485 3.622 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733406 847788495 /nfs/dbraw/zinc/78/84/95/847788495.db2.gz QXYUMTUJSZMFAT-DQLDELGASA-N 2 1 391.481 3.828 20 0 GHADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000422722733 847796715 /nfs/dbraw/zinc/79/67/15/847796715.db2.gz YSKZETUSNNRCKM-TZRRMPRUSA-N 2 1 381.564 3.779 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764233 847823603 /nfs/dbraw/zinc/82/36/03/847823603.db2.gz PPQWPIOXVBWYRS-UWPGDLITSA-N 2 1 381.486 3.961 20 0 GHADMP CN1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764233 847823609 /nfs/dbraw/zinc/82/36/09/847823609.db2.gz PPQWPIOXVBWYRS-UWPGDLITSA-N 2 1 381.486 3.961 20 0 GHADMP Fc1ccc(Br)cc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422811195 847834162 /nfs/dbraw/zinc/83/41/62/847834162.db2.gz ORNPLMWYKFNHDT-MJGOQNOKSA-N 2 1 391.284 3.934 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cs1 ZINC000422907416 847881611 /nfs/dbraw/zinc/88/16/11/847881611.db2.gz BOIJJORBZDDZOH-QHAWAJNXSA-N 3 1 390.641 3.818 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000422892501 847887772 /nfs/dbraw/zinc/88/77/72/847887772.db2.gz NDCONTXVLGSJRZ-IOMROCGXSA-N 2 1 384.520 3.864 20 0 GHADMP Cc1cc(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)n1C ZINC000555787568 861842245 /nfs/dbraw/zinc/84/22/45/861842245.db2.gz VAOZOSPZIPFEJY-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)n1C ZINC000555787568 861842268 /nfs/dbraw/zinc/84/22/68/861842268.db2.gz VAOZOSPZIPFEJY-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000503726813 847925328 /nfs/dbraw/zinc/92/53/28/847925328.db2.gz MFZHRQSCJZQRBR-RXVVDRJESA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000611685722 847949218 /nfs/dbraw/zinc/94/92/18/847949218.db2.gz FRQLAXHBQVPQQU-PXNSSMCTSA-N 2 1 392.975 3.508 20 0 GHADMP COc1ccc([C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423090894 847975810 /nfs/dbraw/zinc/97/58/10/847975810.db2.gz YTFMDYRNIYLRNE-ZTCOLXNVSA-N 2 1 379.548 3.600 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2sccc2Br)CC1 ZINC000075007522 848168545 /nfs/dbraw/zinc/16/85/45/848168545.db2.gz YNCXOXGXSONOJZ-UHFFFAOYSA-N 2 1 375.376 3.833 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)cc2)C1 ZINC000657596590 848298060 /nfs/dbraw/zinc/29/80/60/848298060.db2.gz OPPTWOWCNNFLDO-MRXNPFEDSA-N 2 1 398.400 3.581 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)cc2)C1 ZINC000657596590 848298064 /nfs/dbraw/zinc/29/80/64/848298064.db2.gz OPPTWOWCNNFLDO-MRXNPFEDSA-N 2 1 398.400 3.581 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000472274396 848820038 /nfs/dbraw/zinc/82/00/38/848820038.db2.gz GXTYOMCHNJAXBD-QUCCMNQESA-N 2 1 383.536 3.600 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000472274396 848820046 /nfs/dbraw/zinc/82/00/46/848820046.db2.gz GXTYOMCHNJAXBD-QUCCMNQESA-N 2 1 383.536 3.600 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000673848513 861956079 /nfs/dbraw/zinc/95/60/79/861956079.db2.gz VORGHFYFQZCNTH-LJQANCHMSA-N 2 1 380.536 3.877 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511226661 848908457 /nfs/dbraw/zinc/90/84/57/848908457.db2.gz CFTMQDAGKMRWJZ-XKCSPQBFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226661 848908468 /nfs/dbraw/zinc/90/84/68/848908468.db2.gz CFTMQDAGKMRWJZ-XKCSPQBFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511226661 848908475 /nfs/dbraw/zinc/90/84/75/848908475.db2.gz CFTMQDAGKMRWJZ-XKCSPQBFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511226659 848908573 /nfs/dbraw/zinc/90/85/73/848908573.db2.gz CFTMQDAGKMRWJZ-RRPUWOKSSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226659 848908583 /nfs/dbraw/zinc/90/85/83/848908583.db2.gz CFTMQDAGKMRWJZ-RRPUWOKSSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511226659 848908590 /nfs/dbraw/zinc/90/85/90/848908590.db2.gz CFTMQDAGKMRWJZ-RRPUWOKSSA-N 2 1 398.595 3.555 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@H](C)C1 ZINC000154321850 849241398 /nfs/dbraw/zinc/24/13/98/849241398.db2.gz CGMVAONXVZDTPI-XMSQKQJNSA-N 2 1 382.552 3.626 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000079945778 849432350 /nfs/dbraw/zinc/43/23/50/849432350.db2.gz WKCJYXQDERWNAQ-CEMLEFRQSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000079945778 849432353 /nfs/dbraw/zinc/43/23/53/849432353.db2.gz WKCJYXQDERWNAQ-CEMLEFRQSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000079945778 849432356 /nfs/dbraw/zinc/43/23/56/849432356.db2.gz WKCJYXQDERWNAQ-CEMLEFRQSA-N 2 1 383.580 3.810 20 0 GHADMP C[N@H+](Cc1ccccc1)C1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156928 849766771 /nfs/dbraw/zinc/76/67/71/849766771.db2.gz UOVPQEDQTLDDOJ-RCZVLFRGSA-N 2 1 391.559 3.887 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156928 849766777 /nfs/dbraw/zinc/76/67/77/849766777.db2.gz UOVPQEDQTLDDOJ-RCZVLFRGSA-N 2 1 391.559 3.887 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C(C)=C\c3ccccc3C(F)(F)F)C2)CC1 ZINC000503930753 849778381 /nfs/dbraw/zinc/77/83/81/849778381.db2.gz YZPPZPVOCBMXIB-RBAUTDOXSA-N 2 1 381.486 3.821 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423193167 849798695 /nfs/dbraw/zinc/79/86/95/849798695.db2.gz WTNGCJLJZOUUGQ-GOSISDBHSA-N 2 1 378.289 3.740 20 0 GHADMP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899874501 862059461 /nfs/dbraw/zinc/05/94/61/862059461.db2.gz XSRSJYGMEROPRD-CQSZACIVSA-N 2 1 382.430 3.571 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423346594 849864437 /nfs/dbraw/zinc/86/44/37/849864437.db2.gz YUADBZQOVJRCMW-FISOAXRRSA-N 2 1 393.575 3.641 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H](C)C1 ZINC000423424073 849906808 /nfs/dbraw/zinc/90/68/08/849906808.db2.gz CJSJEKDCEQDCBV-FFZOFVMBSA-N 2 1 375.557 3.598 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H](C)C1 ZINC000423424073 849906820 /nfs/dbraw/zinc/90/68/20/849906820.db2.gz CJSJEKDCEQDCBV-FFZOFVMBSA-N 2 1 375.557 3.598 20 0 GHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1 ZINC000423506418 849947065 /nfs/dbraw/zinc/94/70/65/849947065.db2.gz IWGPEEYLEXHBMW-ACBHZAAOSA-N 2 1 380.374 3.706 20 0 GHADMP CCOc1ccc([C@@H](CC)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1OCC ZINC000423511012 849961288 /nfs/dbraw/zinc/96/12/88/849961288.db2.gz NAYBIMNKXIQWRM-XVAXZDLZSA-N 2 1 389.584 3.741 20 0 GHADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(-n2cncn2)cc1Cl ZINC000423520104 849966546 /nfs/dbraw/zinc/96/65/46/849966546.db2.gz DQCOLNOORLVNKK-XMYZRKPFSA-N 2 1 385.943 3.725 20 0 GHADMP COC[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000423578506 849987259 /nfs/dbraw/zinc/98/72/59/849987259.db2.gz UQZQRKDCVVAGMI-OAQYLSRUSA-N 2 1 387.955 3.611 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000504397567 850051631 /nfs/dbraw/zinc/05/16/31/850051631.db2.gz WOZJCKYUMQZJAP-IRLDBZIGSA-N 2 1 388.600 3.800 20 0 GHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000415002257 850142658 /nfs/dbraw/zinc/14/26/58/850142658.db2.gz LTUJMUVTVCMDSV-QPPBQGQZSA-N 2 1 381.539 3.773 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000664373827 850146718 /nfs/dbraw/zinc/14/67/18/850146718.db2.gz QFILWYBCWMOBKJ-YLJYHZDGSA-N 2 1 395.551 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000664373827 850146725 /nfs/dbraw/zinc/14/67/25/850146725.db2.gz QFILWYBCWMOBKJ-YLJYHZDGSA-N 2 1 395.551 3.663 20 0 GHADMP Cc1ccc([C@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+]2CCCC2)cc1 ZINC000481719478 862107391 /nfs/dbraw/zinc/10/73/91/862107391.db2.gz CLNADTVWVGVREA-DEOSSOPVSA-N 2 1 378.564 3.781 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424243019 850329636 /nfs/dbraw/zinc/32/96/36/850329636.db2.gz PDJSAODUHFUJGM-HXUWFJFHSA-N 2 1 391.437 3.847 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1csc(COc3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424286686 850332571 /nfs/dbraw/zinc/33/25/71/850332571.db2.gz HTTAXPYHZAXIQQ-HNNXBMFYSA-N 2 1 375.513 3.825 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)CC[NH2+]CC2 ZINC000424301630 850341621 /nfs/dbraw/zinc/34/16/21/850341621.db2.gz XWNGRXAEIWKGRY-VGSWGCGISA-N 2 1 387.543 3.637 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cc3c(cc1Br)OCCCO3)CC[NH2+]CC2 ZINC000424302570 850342741 /nfs/dbraw/zinc/34/27/41/850342741.db2.gz ZXMPIJBXPDURJP-AWEZNQCLSA-N 2 1 395.341 3.574 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)N1c3ccccc3CCc3ccccc31)CC[NH2+]CC2 ZINC000424283135 850353744 /nfs/dbraw/zinc/35/37/44/850353744.db2.gz AVBHCNCZCDEACS-IBGZPJMESA-N 2 1 389.543 3.914 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1)C1CC[NH+](C)CC1 ZINC000425373684 850484748 /nfs/dbraw/zinc/48/47/48/850484748.db2.gz QMGHXBVOUQWKLI-DEOSSOPVSA-N 2 1 397.607 3.998 20 0 GHADMP Cc1cc(C)n2c(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)cnc2n1 ZINC000435432304 850490149 /nfs/dbraw/zinc/49/01/49/850490149.db2.gz MMXQNSHIPMVJOZ-LJQANCHMSA-N 2 1 381.549 3.552 20 0 GHADMP Cc1cc(C)n2c(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)cnc2n1 ZINC000435432304 850490157 /nfs/dbraw/zinc/49/01/57/850490157.db2.gz MMXQNSHIPMVJOZ-LJQANCHMSA-N 2 1 381.549 3.552 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426443 850508643 /nfs/dbraw/zinc/50/86/43/850508643.db2.gz IBOLAJKOUOIMBB-OAQYLSRUSA-N 3 1 393.560 3.782 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426443 850508648 /nfs/dbraw/zinc/50/86/48/850508648.db2.gz IBOLAJKOUOIMBB-OAQYLSRUSA-N 3 1 393.560 3.782 20 0 GHADMP c1csc(C[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435429543 850513659 /nfs/dbraw/zinc/51/36/59/850513659.db2.gz XQNLQHKBHPDELN-KRWDZBQOSA-N 2 1 385.562 3.535 20 0 GHADMP c1csc(C[N@H+](Cc2cc(-n3ccnc3)cs2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435429543 850513662 /nfs/dbraw/zinc/51/36/62/850513662.db2.gz XQNLQHKBHPDELN-KRWDZBQOSA-N 2 1 385.562 3.535 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1Cl ZINC000439965240 850614095 /nfs/dbraw/zinc/61/40/95/850614095.db2.gz FNEAKMVGJWUSJA-SFHVURJKSA-N 2 1 379.932 3.626 20 0 GHADMP CC1(C)CC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000519173717 850700707 /nfs/dbraw/zinc/70/07/07/850700707.db2.gz ASZPNBSLIYGTEX-UHFFFAOYSA-N 2 1 386.584 3.602 20 0 GHADMP CCn1ccnc1C[N@H+](CCc1c(F)cccc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000435679638 850744454 /nfs/dbraw/zinc/74/44/54/850744454.db2.gz AZRDMWLBWHNAOY-LJQANCHMSA-N 2 1 390.934 3.882 20 0 GHADMP CCn1ccnc1C[N@@H+](CCc1c(F)cccc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000435679638 850744461 /nfs/dbraw/zinc/74/44/61/850744461.db2.gz AZRDMWLBWHNAOY-LJQANCHMSA-N 2 1 390.934 3.882 20 0 GHADMP C[C@H](NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000435682379 850747888 /nfs/dbraw/zinc/74/78/88/850747888.db2.gz NATOTGBJNPNWSH-MAUKXSAKSA-N 2 1 389.590 3.631 20 0 GHADMP C[C@H](NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000435682379 850747894 /nfs/dbraw/zinc/74/78/94/850747894.db2.gz NATOTGBJNPNWSH-MAUKXSAKSA-N 2 1 389.590 3.631 20 0 GHADMP Clc1ccccc1OCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688024 850752970 /nfs/dbraw/zinc/75/29/70/850752970.db2.gz LGHATTSMYFREIK-QGZVFWFLSA-N 2 1 377.941 3.820 20 0 GHADMP Clc1ccccc1OCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435688024 850752977 /nfs/dbraw/zinc/75/29/77/850752977.db2.gz LGHATTSMYFREIK-QGZVFWFLSA-N 2 1 377.941 3.820 20 0 GHADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000515237572 850824460 /nfs/dbraw/zinc/82/44/60/850824460.db2.gz BXNBWKAGWRGVTQ-JOCHJYFZSA-N 2 1 396.579 3.657 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513820053 850913406 /nfs/dbraw/zinc/91/34/06/850913406.db2.gz IQVYDOSCKCDCFM-OAQYLSRUSA-N 2 1 399.579 3.745 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000515383118 850971510 /nfs/dbraw/zinc/97/15/10/850971510.db2.gz SARYGLPLISSJJP-RZUBCFFCSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000515383118 850971516 /nfs/dbraw/zinc/97/15/16/850971516.db2.gz SARYGLPLISSJJP-RZUBCFFCSA-N 2 1 385.596 3.661 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000515395519 850975611 /nfs/dbraw/zinc/97/56/11/850975611.db2.gz NTQVWORSJVJBAI-JTSKRJEESA-N 2 1 379.504 3.834 20 0 GHADMP CC(C)C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000519399638 851005598 /nfs/dbraw/zinc/00/55/98/851005598.db2.gz YPUOIIVFNFQRPN-GOTSBHOMSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000519399638 851005606 /nfs/dbraw/zinc/00/56/06/851005606.db2.gz YPUOIIVFNFQRPN-GOTSBHOMSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000488172396 851224107 /nfs/dbraw/zinc/22/41/07/851224107.db2.gz VOHJKQQMDXPUDV-MZKRTTBSSA-N 2 1 398.595 3.544 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)C1 ZINC000514154904 851329348 /nfs/dbraw/zinc/32/93/48/851329348.db2.gz ZZWHSTYKGDOYFF-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000415108504 851332811 /nfs/dbraw/zinc/33/28/11/851332811.db2.gz MIUOLYHSTYQIDM-IAGOWNOFSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000514201174 851369549 /nfs/dbraw/zinc/36/95/49/851369549.db2.gz CAORHAAJJUYIND-WTNAPCKOSA-N 2 1 398.526 3.563 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000514220933 851414328 /nfs/dbraw/zinc/41/43/28/851414328.db2.gz DAOYLTXASPFEKT-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434683820 851490924 /nfs/dbraw/zinc/49/09/24/851490924.db2.gz INUDRDGUDMXOMT-ZWKOTPCHSA-N 2 1 392.547 3.765 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412717 851581946 /nfs/dbraw/zinc/58/19/46/851581946.db2.gz NFVLNJSZNPOJFS-SJORKVTESA-N 2 1 379.495 3.880 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412717 851581951 /nfs/dbraw/zinc/58/19/51/851581951.db2.gz NFVLNJSZNPOJFS-SJORKVTESA-N 2 1 379.495 3.880 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000436412717 851581952 /nfs/dbraw/zinc/58/19/52/851581952.db2.gz NFVLNJSZNPOJFS-SJORKVTESA-N 2 1 379.495 3.880 20 0 GHADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000515877212 851596379 /nfs/dbraw/zinc/59/63/79/851596379.db2.gz ROZPFOITLAJFSA-QHCPKHFHSA-N 2 1 379.548 3.678 20 0 GHADMP CC[N@H+](Cc1cccc(F)c1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488584190 851630330 /nfs/dbraw/zinc/63/03/30/851630330.db2.gz DUUUCJQAUPQSQL-LJQANCHMSA-N 2 1 397.538 3.817 20 0 GHADMP CC[N@@H+](Cc1cccc(F)c1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000488584190 851630336 /nfs/dbraw/zinc/63/03/36/851630336.db2.gz DUUUCJQAUPQSQL-LJQANCHMSA-N 2 1 397.538 3.817 20 0 GHADMP COc1ccc(CC2([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)cc1 ZINC001167974866 851706791 /nfs/dbraw/zinc/70/67/91/851706791.db2.gz COWJEGAZGBPSKC-FRIKZZABSA-N 2 1 384.564 3.782 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000550143225 851742283 /nfs/dbraw/zinc/74/22/83/851742283.db2.gz XTXINLFOJJYBRO-PMACEKPBSA-N 2 1 394.600 3.902 20 0 GHADMP O=C(C[N@H+]1CCCC[C@H]1c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000570254551 851794606 /nfs/dbraw/zinc/79/46/06/851794606.db2.gz NQOPAWIMPRFENX-QHCPKHFHSA-N 2 1 393.531 3.685 20 0 GHADMP O=C(CN1CCCC[C@H]1c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000570254551 851794610 /nfs/dbraw/zinc/79/46/10/851794610.db2.gz NQOPAWIMPRFENX-QHCPKHFHSA-N 2 1 393.531 3.685 20 0 GHADMP Brc1ccc2c(c1)OC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975466 851797044 /nfs/dbraw/zinc/79/70/44/851797044.db2.gz PWQRVCSUXVJYHY-YCXXCVGLSA-N 2 1 377.326 3.878 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2Br)no1 ZINC001212142094 851889381 /nfs/dbraw/zinc/88/93/81/851889381.db2.gz BCUMJGLIWMEYMJ-AWEZNQCLSA-N 2 1 385.281 3.806 20 0 GHADMP CC(C)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC1 ZINC000111856790 851946652 /nfs/dbraw/zinc/94/66/52/851946652.db2.gz LRENXTDCBLVUJF-GLCCWIKHSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000550227638 852053995 /nfs/dbraw/zinc/05/39/95/852053995.db2.gz JDOQVAASKVLKSV-NFBKMPQASA-N 2 1 379.548 3.666 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000550227638 852054005 /nfs/dbraw/zinc/05/40/05/852054005.db2.gz JDOQVAASKVLKSV-NFBKMPQASA-N 2 1 379.548 3.666 20 0 GHADMP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550271818 852244115 /nfs/dbraw/zinc/24/41/15/852244115.db2.gz XTAOMNACTFXGRO-JOCHJYFZSA-N 2 1 380.532 3.714 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(C[NH+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489355343 852263171 /nfs/dbraw/zinc/26/31/71/852263171.db2.gz CANGHPXRNQMWDW-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c(C[NH+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000489355343 852263184 /nfs/dbraw/zinc/26/31/84/852263184.db2.gz CANGHPXRNQMWDW-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(C[NH+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000489355343 852263198 /nfs/dbraw/zinc/26/31/98/852263198.db2.gz CANGHPXRNQMWDW-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000506892793 852316011 /nfs/dbraw/zinc/31/60/11/852316011.db2.gz FRDGLBTWXNMATC-UHFFFAOYSA-N 2 1 379.911 3.614 20 0 GHADMP COc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1Cl ZINC000489420413 852318006 /nfs/dbraw/zinc/31/80/06/852318006.db2.gz GLZOPQBDJKKEFS-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP COc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000489420413 852318012 /nfs/dbraw/zinc/31/80/12/852318012.db2.gz GLZOPQBDJKKEFS-UHFFFAOYSA-N 3 1 394.003 3.977 20 0 GHADMP COc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000489420413 852318017 /nfs/dbraw/zinc/31/80/17/852318017.db2.gz GLZOPQBDJKKEFS-UHFFFAOYSA-N 3 1 394.003 3.977 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCCC[C@H]1C ZINC000506916580 852329974 /nfs/dbraw/zinc/32/99/74/852329974.db2.gz JSZGPWBDVKDLCC-NCYKPQTJSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@@H+]1CCCC[C@H]1C ZINC000506916580 852329981 /nfs/dbraw/zinc/32/99/81/852329981.db2.gz JSZGPWBDVKDLCC-NCYKPQTJSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)[N@H+]1CCCC[C@H]1C ZINC000506916580 852329990 /nfs/dbraw/zinc/32/99/90/852329990.db2.gz JSZGPWBDVKDLCC-NCYKPQTJSA-N 2 1 378.605 3.545 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000438391883 852358723 /nfs/dbraw/zinc/35/87/23/852358723.db2.gz YNOANCMCUMPFSH-LJQANCHMSA-N 2 1 390.572 3.744 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000506940010 852370024 /nfs/dbraw/zinc/37/00/24/852370024.db2.gz LMBHELDHXCKXQW-RTWAWAEBSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000506940010 852370034 /nfs/dbraw/zinc/37/00/34/852370034.db2.gz LMBHELDHXCKXQW-RTWAWAEBSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000506940010 852370045 /nfs/dbraw/zinc/37/00/45/852370045.db2.gz LMBHELDHXCKXQW-RTWAWAEBSA-N 2 1 392.632 3.937 20 0 GHADMP CN(CC1CCCCC1)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489635055 852500451 /nfs/dbraw/zinc/50/04/51/852500451.db2.gz OFFDDRMAASZPNF-UHFFFAOYSA-N 2 1 385.596 3.869 20 0 GHADMP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438556378 852570604 /nfs/dbraw/zinc/57/06/04/852570604.db2.gz YUSUSUBFKBAGPL-QHCPKHFHSA-N 2 1 396.579 3.564 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000438634225 852654482 /nfs/dbraw/zinc/65/44/82/852654482.db2.gz IFAYCRSUXMKGKZ-AEFFLSMTSA-N 2 1 389.506 3.516 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000438634225 852654486 /nfs/dbraw/zinc/65/44/86/852654486.db2.gz IFAYCRSUXMKGKZ-AEFFLSMTSA-N 2 1 389.506 3.516 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000604643777 862390791 /nfs/dbraw/zinc/39/07/91/862390791.db2.gz APYAXHHOTAPSMI-LAUBAEHRSA-N 2 1 398.526 3.522 20 0 GHADMP C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490249928 852867678 /nfs/dbraw/zinc/86/76/78/852867678.db2.gz QSOYURIWFHXDOB-FUHWJXTLSA-N 2 1 391.357 3.536 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000519606785 852957485 /nfs/dbraw/zinc/95/74/85/852957485.db2.gz AZZQWYPIGOISRJ-UHFFFAOYSA-N 2 1 383.414 3.547 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(OC)c1 ZINC000507491624 852973505 /nfs/dbraw/zinc/97/35/05/852973505.db2.gz CAOBYAJKVYCJDV-YUXAGFNASA-N 2 1 396.531 3.713 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(OC)c1 ZINC000507491624 852973514 /nfs/dbraw/zinc/97/35/14/852973514.db2.gz CAOBYAJKVYCJDV-YUXAGFNASA-N 2 1 396.531 3.713 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(Br)c1OC(F)F ZINC000414962212 853018871 /nfs/dbraw/zinc/01/88/71/853018871.db2.gz SHXBNSUYNUGNQB-MFKMUULPSA-N 2 1 393.272 3.537 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490702962 853201757 /nfs/dbraw/zinc/20/17/57/853201757.db2.gz WAJMTPYMHVWOMV-SQJMNOBHSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490702962 853201760 /nfs/dbraw/zinc/20/17/60/853201760.db2.gz WAJMTPYMHVWOMV-SQJMNOBHSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccc2I)CC1 ZINC000405495034 853220295 /nfs/dbraw/zinc/22/02/95/853220295.db2.gz AXYXICGCBCPIDW-SNVBAGLBSA-N 2 1 378.685 3.504 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000506475558 853232346 /nfs/dbraw/zinc/23/23/46/853232346.db2.gz XYJMDRJOIOYXLL-YMPZKCBVSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000506475558 853232347 /nfs/dbraw/zinc/23/23/47/853232347.db2.gz XYJMDRJOIOYXLL-YMPZKCBVSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1C ZINC000506475558 853232349 /nfs/dbraw/zinc/23/23/49/853232349.db2.gz XYJMDRJOIOYXLL-YMPZKCBVSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1C ZINC000506475558 853232351 /nfs/dbraw/zinc/23/23/51/853232351.db2.gz XYJMDRJOIOYXLL-YMPZKCBVSA-N 2 1 388.596 3.938 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963905 853374608 /nfs/dbraw/zinc/37/46/08/853374608.db2.gz IMQURMMCRLIKJU-BWKNWUBXSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490963905 853374611 /nfs/dbraw/zinc/37/46/11/853374611.db2.gz IMQURMMCRLIKJU-BWKNWUBXSA-N 2 1 393.575 3.723 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000508453823 862457883 /nfs/dbraw/zinc/45/78/83/862457883.db2.gz WDPOHZTZGAWIQG-KDURUIRLSA-N 2 1 389.584 3.536 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000508453823 862457887 /nfs/dbraw/zinc/45/78/87/862457887.db2.gz WDPOHZTZGAWIQG-KDURUIRLSA-N 2 1 389.584 3.536 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000508453823 862457889 /nfs/dbraw/zinc/45/78/89/862457889.db2.gz WDPOHZTZGAWIQG-KDURUIRLSA-N 2 1 389.584 3.536 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000508453823 862457897 /nfs/dbraw/zinc/45/78/97/862457897.db2.gz WDPOHZTZGAWIQG-KDURUIRLSA-N 2 1 389.584 3.536 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc2C1 ZINC000491025576 853403710 /nfs/dbraw/zinc/40/37/10/853403710.db2.gz VYFVWPLOYBKALD-RCZVLFRGSA-N 2 1 391.559 3.634 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426309898 853407711 /nfs/dbraw/zinc/40/77/11/853407711.db2.gz ISIGAJXRXQSKKR-AVRDEDQJSA-N 2 1 375.516 3.539 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426309898 853407717 /nfs/dbraw/zinc/40/77/17/853407717.db2.gz ISIGAJXRXQSKKR-AVRDEDQJSA-N 2 1 375.516 3.539 20 0 GHADMP C[NH+](C)CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CCCCC1 ZINC000426312827 853426526 /nfs/dbraw/zinc/42/65/26/853426526.db2.gz KQUALUPRWPLHTO-UHFFFAOYSA-N 2 1 391.466 3.541 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)c2cc1C ZINC000491059812 853430993 /nfs/dbraw/zinc/43/09/93/853430993.db2.gz JIJPCNXVZOGZRC-FCHUYYIVSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000426317662 853433623 /nfs/dbraw/zinc/43/36/23/853433623.db2.gz FRFJADRHQZURIL-DCSJCSGWSA-N 2 1 384.495 3.649 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000426317662 853433627 /nfs/dbraw/zinc/43/36/27/853433627.db2.gz FRFJADRHQZURIL-DCSJCSGWSA-N 2 1 384.495 3.649 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754595 853463709 /nfs/dbraw/zinc/46/37/09/853463709.db2.gz WRXNIFSDMAASRD-QZTJIDSGSA-N 2 1 385.577 3.952 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000518528449 853475198 /nfs/dbraw/zinc/47/51/98/853475198.db2.gz BUIBGVMVNGOSQZ-QFIPXVFZSA-N 2 1 398.595 3.879 20 0 GHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Br)cc1 ZINC000604773652 862468028 /nfs/dbraw/zinc/46/80/28/862468028.db2.gz WELGNZGGBWNSIN-CJNGLKHVSA-N 2 1 384.362 3.732 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437846356 853588068 /nfs/dbraw/zinc/58/80/68/853588068.db2.gz RMUJKYHZKKXODI-GMAHTHKFSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437846356 853588074 /nfs/dbraw/zinc/58/80/74/853588074.db2.gz RMUJKYHZKKXODI-GMAHTHKFSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437846356 853588079 /nfs/dbraw/zinc/58/80/79/853588079.db2.gz RMUJKYHZKKXODI-GMAHTHKFSA-N 2 1 398.595 3.605 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(OC(F)(F)F)c2)no1 ZINC001212145120 853679412 /nfs/dbraw/zinc/67/94/12/853679412.db2.gz LOHMZXQNQKVROT-ZDUSSCGKSA-N 2 1 390.381 3.942 20 0 GHADMP COc1c(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cccc1C(F)(F)F ZINC001212145149 853680367 /nfs/dbraw/zinc/68/03/67/853680367.db2.gz MFZBRMGEBMVBOV-AWEZNQCLSA-N 2 1 386.418 3.932 20 0 GHADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(Cl)c1OC ZINC001212145325 853688556 /nfs/dbraw/zinc/68/85/56/853688556.db2.gz PTMUQYDMLBQIPR-ZDUSSCGKSA-N 2 1 382.892 3.575 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000481913303 862509759 /nfs/dbraw/zinc/50/97/59/862509759.db2.gz FEJILAGGDJRHDH-DEOSSOPVSA-N 2 1 378.564 3.850 20 0 GHADMP C(CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441218309 853991484 /nfs/dbraw/zinc/99/14/84/853991484.db2.gz RJESTXLTOSSEAZ-CWBXHPNXSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CCC[C@H]([C@H]2CCOC2)C1)CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441218309 853991486 /nfs/dbraw/zinc/99/14/86/853991486.db2.gz RJESTXLTOSSEAZ-CWBXHPNXSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CCC[C@H]([C@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441218309 853991489 /nfs/dbraw/zinc/99/14/89/853991489.db2.gz RJESTXLTOSSEAZ-CWBXHPNXSA-N 2 1 378.601 3.654 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000416969910 854033647 /nfs/dbraw/zinc/03/36/47/854033647.db2.gz LZOMIHBGESJDTH-HXUWFJFHSA-N 2 1 394.563 3.589 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)[C@@H]2C1 ZINC000571796975 854158193 /nfs/dbraw/zinc/15/81/93/854158193.db2.gz LIWCICFOSFUQBC-LZVFHYKOSA-N 2 1 383.580 3.666 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000441414335 854194031 /nfs/dbraw/zinc/19/40/31/854194031.db2.gz JSAYUQFNXJFGDO-HNAYVOBHSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000441414335 854194034 /nfs/dbraw/zinc/19/40/34/854194034.db2.gz JSAYUQFNXJFGDO-HNAYVOBHSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000441414335 854194038 /nfs/dbraw/zinc/19/40/38/854194038.db2.gz JSAYUQFNXJFGDO-HNAYVOBHSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000441414335 854194043 /nfs/dbraw/zinc/19/40/43/854194043.db2.gz JSAYUQFNXJFGDO-HNAYVOBHSA-N 2 1 391.943 3.626 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CC3=Cc4ccccc4OC3)cc2)C[C@H](C)O1 ZINC000588177391 854201268 /nfs/dbraw/zinc/20/12/68/854201268.db2.gz LORDSHMRTRHTKL-KDURUIRLSA-N 2 1 378.516 3.861 20 0 GHADMP CC[C@H]1CC[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000473923287 854268478 /nfs/dbraw/zinc/26/84/78/854268478.db2.gz OFZRSTQZTDDKRM-XUTJKUGGSA-N 2 1 377.617 3.858 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000588699213 854364911 /nfs/dbraw/zinc/36/49/11/854364911.db2.gz FFJUEHQOMAXOQX-QHCPKHFHSA-N 2 1 379.548 3.838 20 0 GHADMP COCCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000282495321 862558422 /nfs/dbraw/zinc/55/84/22/862558422.db2.gz XUQVDKLMCSQIPC-XZOQPEGZSA-N 2 1 386.511 3.650 20 0 GHADMP C[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)Cc1ccc(F)cc1 ZINC000482007279 862601286 /nfs/dbraw/zinc/60/12/86/862601286.db2.gz JDWUCKMRSYILGL-UHFFFAOYSA-N 2 1 383.511 3.673 20 0 GHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC000126371948 854862579 /nfs/dbraw/zinc/86/25/79/854862579.db2.gz JAGFCVNTEMQBBU-UZLBHIALSA-N 2 1 391.556 3.521 20 0 GHADMP CC[C@@H]1CCC[C@H]1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458952460 854889013 /nfs/dbraw/zinc/88/90/13/854889013.db2.gz UUCMBPQLLSYJRA-RTWAWAEBSA-N 2 1 392.632 3.650 20 0 GHADMP CC[NH+]1CCN(Cc2ccc(Nc3ccc[nH+]c3N)cc2C(F)(F)F)CC1 ZINC001212405880 855087044 /nfs/dbraw/zinc/08/70/44/855087044.db2.gz MXVSRWLIQULWFV-UHFFFAOYSA-N 2 1 379.430 3.564 20 0 GHADMP CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)N1CC[NH+](C)CC1 ZINC000075763165 855203445 /nfs/dbraw/zinc/20/34/45/855203445.db2.gz APOZSVICWSBKGY-FQEVSTJZSA-N 2 1 375.944 3.962 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC1 ZINC000590155697 855301652 /nfs/dbraw/zinc/30/16/52/855301652.db2.gz XGDYSJWLAUGUHA-FQEVSTJZSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000590155697 855301660 /nfs/dbraw/zinc/30/16/60/855301660.db2.gz XGDYSJWLAUGUHA-FQEVSTJZSA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000590155697 855301667 /nfs/dbraw/zinc/30/16/67/855301667.db2.gz XGDYSJWLAUGUHA-FQEVSTJZSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120822 862669209 /nfs/dbraw/zinc/66/92/09/862669209.db2.gz HPFZYMJGVCPYKX-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120822 862669215 /nfs/dbraw/zinc/66/92/15/862669215.db2.gz HPFZYMJGVCPYKX-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000624120822 862669219 /nfs/dbraw/zinc/66/92/19/862669219.db2.gz HPFZYMJGVCPYKX-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000590786474 855585888 /nfs/dbraw/zinc/58/58/88/855585888.db2.gz BSFNWXBNIHQLBN-INIZCTEOSA-N 2 1 389.367 3.785 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000482109199 862711819 /nfs/dbraw/zinc/71/18/19/862711819.db2.gz RYHOAPZXNUUZTH-RXVVDRJESA-N 2 1 397.588 3.523 20 0 GHADMP Cn1c(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)nc2cc(F)ccc21 ZINC000181001385 862712374 /nfs/dbraw/zinc/71/23/74/862712374.db2.gz GVCKNNUOUPBFSZ-UHFFFAOYSA-N 2 1 398.501 3.691 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000605026417 862717360 /nfs/dbraw/zinc/71/73/60/862717360.db2.gz UTCJVHBFTQVHAZ-FQEVSTJZSA-N 2 1 377.960 3.858 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000605026417 862717369 /nfs/dbraw/zinc/71/73/69/862717369.db2.gz UTCJVHBFTQVHAZ-FQEVSTJZSA-N 2 1 377.960 3.858 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000108706856 855988273 /nfs/dbraw/zinc/98/82/73/855988273.db2.gz PTEZRQNRMLXHBR-DEOSSOPVSA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000108706856 855988281 /nfs/dbraw/zinc/98/82/81/855988281.db2.gz PTEZRQNRMLXHBR-DEOSSOPVSA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000108706856 855988285 /nfs/dbraw/zinc/98/82/85/855988285.db2.gz PTEZRQNRMLXHBR-DEOSSOPVSA-N 2 1 391.559 3.694 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000760827458 856004626 /nfs/dbraw/zinc/00/46/26/856004626.db2.gz BCQXCUWZQWRDRN-PMACEKPBSA-N 2 1 379.589 3.972 20 0 GHADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000485037668 856033391 /nfs/dbraw/zinc/03/33/91/856033391.db2.gz AAOOQLGAQANTFN-UHFFFAOYSA-N 2 1 383.458 3.984 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CCC(=O)N3C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168007777 856126379 /nfs/dbraw/zinc/12/63/79/856126379.db2.gz BFXXPZCJLXKWJX-HQVOHAICSA-N 2 1 383.580 3.951 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536461448 856147825 /nfs/dbraw/zinc/14/78/25/856147825.db2.gz ZYEYMHHSYYLTFX-VQIMIIECSA-N 2 1 398.954 3.503 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536461448 856147828 /nfs/dbraw/zinc/14/78/28/856147828.db2.gz ZYEYMHHSYYLTFX-VQIMIIECSA-N 2 1 398.954 3.503 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536461448 856147834 /nfs/dbraw/zinc/14/78/34/856147834.db2.gz ZYEYMHHSYYLTFX-VQIMIIECSA-N 2 1 398.954 3.503 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1cc2ccccc2o1 ZINC000674308581 856156703 /nfs/dbraw/zinc/15/67/03/856156703.db2.gz HHCGPCSWGPGRDU-UHFFFAOYSA-N 2 1 397.563 3.630 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000905152530 856172366 /nfs/dbraw/zinc/17/23/66/856172366.db2.gz FILGKKXRGQLFBH-CDIGIKMISA-N 2 1 382.548 3.504 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000905152530 856172374 /nfs/dbraw/zinc/17/23/74/856172374.db2.gz FILGKKXRGQLFBH-CDIGIKMISA-N 2 1 382.548 3.504 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000485219423 856231002 /nfs/dbraw/zinc/23/10/02/856231002.db2.gz ONQRHWVYXHBJAH-KIHHCIJBSA-N 2 1 390.575 3.941 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccsc2)s1 ZINC000573501363 856262922 /nfs/dbraw/zinc/26/29/22/856262922.db2.gz ICGJTNBENZOSQR-QGZVFWFLSA-N 2 1 378.611 3.720 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccsc2)s1 ZINC000573501362 856263660 /nfs/dbraw/zinc/26/36/60/856263660.db2.gz ICGJTNBENZOSQR-KRWDZBQOSA-N 2 1 378.611 3.720 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591766221 856290468 /nfs/dbraw/zinc/29/04/68/856290468.db2.gz MCPXGNKQEDUREV-INIZCTEOSA-N 2 1 386.367 3.616 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485405409 856463196 /nfs/dbraw/zinc/46/31/96/856463196.db2.gz QUFFBJZLUVJBSM-KPLVRAHFSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485405409 856463202 /nfs/dbraw/zinc/46/32/02/856463202.db2.gz QUFFBJZLUVJBSM-KPLVRAHFSA-N 2 1 397.950 3.946 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2OC)[C@H](C)C1 ZINC000181261581 862815816 /nfs/dbraw/zinc/81/58/16/862815816.db2.gz PJFSMFLMLFEAAS-QAPCUYQASA-N 2 1 399.373 3.684 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2OC)[C@H](C)C1 ZINC000181261581 862815830 /nfs/dbraw/zinc/81/58/30/862815830.db2.gz PJFSMFLMLFEAAS-QAPCUYQASA-N 2 1 399.373 3.684 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000045789950 856765962 /nfs/dbraw/zinc/76/59/62/856765962.db2.gz FQDLFIKDFJEPMD-HXUWFJFHSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000045789950 856765967 /nfs/dbraw/zinc/76/59/67/856765967.db2.gz FQDLFIKDFJEPMD-HXUWFJFHSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000045789950 856765974 /nfs/dbraw/zinc/76/59/74/856765974.db2.gz FQDLFIKDFJEPMD-HXUWFJFHSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000045789952 856766429 /nfs/dbraw/zinc/76/64/29/856766429.db2.gz FQDLFIKDFJEPMD-FQEVSTJZSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000045789952 856766439 /nfs/dbraw/zinc/76/64/39/856766439.db2.gz FQDLFIKDFJEPMD-FQEVSTJZSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000045789952 856766442 /nfs/dbraw/zinc/76/64/42/856766442.db2.gz FQDLFIKDFJEPMD-FQEVSTJZSA-N 2 1 388.600 3.981 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)C1 ZINC000658135862 856767339 /nfs/dbraw/zinc/76/73/39/856767339.db2.gz FPTZHUWFLPVTLZ-JRFVFWCSSA-N 2 1 380.532 3.511 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000465891186 856773753 /nfs/dbraw/zinc/77/37/53/856773753.db2.gz PRZRHWPEXQCQPS-ZCNNSNEGSA-N 2 1 378.605 3.544 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000465891186 856773759 /nfs/dbraw/zinc/77/37/59/856773759.db2.gz PRZRHWPEXQCQPS-ZCNNSNEGSA-N 2 1 378.605 3.544 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000465891186 856773763 /nfs/dbraw/zinc/77/37/63/856773763.db2.gz PRZRHWPEXQCQPS-ZCNNSNEGSA-N 2 1 378.605 3.544 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)c1cc(C[NH3+])ccn1)c1cccc(C(F)(F)F)c1 ZINC000906226535 856939488 /nfs/dbraw/zinc/93/94/88/856939488.db2.gz CZEKHTZZUQHLMF-SFHVURJKSA-N 2 1 394.441 3.605 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCC2 ZINC000499502089 857017723 /nfs/dbraw/zinc/01/77/23/857017723.db2.gz XBCVTAMAYNCPNS-GOSISDBHSA-N 2 1 377.598 3.505 20 0 GHADMP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665254170 857022762 /nfs/dbraw/zinc/02/27/62/857022762.db2.gz JECVVYKSDZIQKX-XVFIICMOSA-N 2 1 381.539 3.771 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1C ZINC000499518566 857128460 /nfs/dbraw/zinc/12/84/60/857128460.db2.gz IAHDELMYQHLLST-MRXNPFEDSA-N 2 1 391.556 3.837 20 0 GHADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000057169170 857156994 /nfs/dbraw/zinc/15/69/94/857156994.db2.gz OAFFLLQXZNKIEA-SFHVURJKSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000057169170 857156997 /nfs/dbraw/zinc/15/69/97/857156997.db2.gz OAFFLLQXZNKIEA-SFHVURJKSA-N 2 1 397.588 3.523 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057286082 857182115 /nfs/dbraw/zinc/18/21/15/857182115.db2.gz ROVOKEGLWWKGDO-UHFFFAOYSA-N 2 1 397.567 3.846 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000057286082 857182126 /nfs/dbraw/zinc/18/21/26/857182126.db2.gz ROVOKEGLWWKGDO-UHFFFAOYSA-N 2 1 397.567 3.846 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000672457986 857362840 /nfs/dbraw/zinc/36/28/40/857362840.db2.gz ZCRQRZKWGZFSIR-JXFKEZNVSA-N 2 1 394.991 3.752 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000520935868 857419693 /nfs/dbraw/zinc/41/96/93/857419693.db2.gz QGBVWVZGMWJOAC-HXUWFJFHSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000520957662 857437752 /nfs/dbraw/zinc/43/77/52/857437752.db2.gz QRLNXXAMCZQXBL-CQSZACIVSA-N 2 1 381.320 3.853 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000574278042 857493750 /nfs/dbraw/zinc/49/37/50/857493750.db2.gz ZZMZIBKUZXNDCV-ACRUOGEOSA-N 2 1 396.531 3.842 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000061786362 857543004 /nfs/dbraw/zinc/54/30/04/857543004.db2.gz BLLMQMFCZJYIMG-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000593502113 857613709 /nfs/dbraw/zinc/61/37/09/857613709.db2.gz QIAPGZWURVSTID-GOSISDBHSA-N 2 1 390.572 3.649 20 0 GHADMP CC(C)(CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000063915378 857672630 /nfs/dbraw/zinc/67/26/30/857672630.db2.gz DVKWMZFLAUJMPZ-UHFFFAOYSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000671744448 857764508 /nfs/dbraw/zinc/76/45/08/857764508.db2.gz IQAIZNRIHQVAMP-HKUYNNGSSA-N 2 1 379.504 3.580 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000671753481 857927131 /nfs/dbraw/zinc/92/71/31/857927131.db2.gz ZYZHSEAAEMIZLY-BBHUYCHWSA-N 2 1 383.580 3.953 20 0 GHADMP COCCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000442719634 858089898 /nfs/dbraw/zinc/08/98/98/858089898.db2.gz RQZMWSOGPMTDOG-DEOSSOPVSA-N 2 1 399.554 3.831 20 0 GHADMP COCCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442772316 858115073 /nfs/dbraw/zinc/11/50/73/858115073.db2.gz VNQKVEWUFOGGEU-GOTSBHOMSA-N 2 1 386.511 3.520 20 0 GHADMP COCCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442772316 858115076 /nfs/dbraw/zinc/11/50/76/858115076.db2.gz VNQKVEWUFOGGEU-GOTSBHOMSA-N 2 1 386.511 3.520 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000442826822 858150089 /nfs/dbraw/zinc/15/00/89/858150089.db2.gz YAQHAASGJAPJRJ-MUSUJDOFSA-N 2 1 375.516 3.709 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000442826822 858150093 /nfs/dbraw/zinc/15/00/93/858150093.db2.gz YAQHAASGJAPJRJ-MUSUJDOFSA-N 2 1 375.516 3.709 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142756 858298261 /nfs/dbraw/zinc/29/82/61/858298261.db2.gz YURRUGAUTHUQQF-CEWLAPEOSA-N 2 1 398.551 3.625 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2)[NH+](C)C ZINC000443014550 858311912 /nfs/dbraw/zinc/31/19/12/858311912.db2.gz PEAAYNLJQSGTIQ-VGSWGCGISA-N 2 1 386.609 3.999 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000443061351 858330037 /nfs/dbraw/zinc/33/00/37/858330037.db2.gz RHMSPNIOGIHLII-KBXCAEBGSA-N 2 1 384.351 3.718 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000443070408 858337124 /nfs/dbraw/zinc/33/71/24/858337124.db2.gz ZCCPDNCCDFPKFJ-NSHDSACASA-N 2 1 397.363 3.724 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000443077994 858352947 /nfs/dbraw/zinc/35/29/47/858352947.db2.gz VTIJXLREAOFMEH-HTAPYJJXSA-N 2 1 385.939 3.606 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c(N2CCCC2)[nH+]1 ZINC000669555742 858385998 /nfs/dbraw/zinc/38/59/98/858385998.db2.gz DTTBNPKMVICGRO-OAQYLSRUSA-N 2 1 395.551 3.613 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067383128 858546657 /nfs/dbraw/zinc/54/66/57/858546657.db2.gz CRSANNKQAZPTER-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1ccc(C)c(OCCC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000595722298 858658462 /nfs/dbraw/zinc/65/84/62/858658462.db2.gz RXRLNWQIZYJORY-UHFFFAOYSA-N 2 1 395.591 3.822 20 0 GHADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900573 858711888 /nfs/dbraw/zinc/71/18/88/858711888.db2.gz HCPCDWLNWNJCQY-LJQANCHMSA-N 2 1 397.519 3.730 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000466210515 858725428 /nfs/dbraw/zinc/72/54/28/858725428.db2.gz MQKABDJDZNIYAP-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466210515 858725436 /nfs/dbraw/zinc/72/54/36/858725436.db2.gz MQKABDJDZNIYAP-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466210515 858725448 /nfs/dbraw/zinc/72/54/48/858725448.db2.gz MQKABDJDZNIYAP-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676713000 858774275 /nfs/dbraw/zinc/77/42/75/858774275.db2.gz XNKCFSWLTHJGJV-UVFQYZLESA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676713000 858774281 /nfs/dbraw/zinc/77/42/81/858774281.db2.gz XNKCFSWLTHJGJV-UVFQYZLESA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676713000 858774287 /nfs/dbraw/zinc/77/42/87/858774287.db2.gz XNKCFSWLTHJGJV-UVFQYZLESA-N 2 1 399.362 3.682 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCC2(c3ccccc3)CC2)cc1 ZINC000183682474 858795654 /nfs/dbraw/zinc/79/56/54/858795654.db2.gz HGPFTAIGLAVFNQ-SFHVURJKSA-N 2 1 388.515 3.679 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000474078903 858798774 /nfs/dbraw/zinc/79/87/74/858798774.db2.gz HOTKMASHABZAGV-ISKFKSNPSA-N 2 1 380.532 3.644 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000474078903 858798780 /nfs/dbraw/zinc/79/87/80/858798780.db2.gz HOTKMASHABZAGV-ISKFKSNPSA-N 2 1 380.532 3.644 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccco1 ZINC000509616923 858812315 /nfs/dbraw/zinc/81/23/15/858812315.db2.gz YAOLFFJGUNHAPG-JYAXBFRTSA-N 2 1 398.551 3.671 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000543194162 858820695 /nfs/dbraw/zinc/82/06/95/858820695.db2.gz FAMCQMWUFJQYLG-UHFFFAOYSA-N 2 1 381.358 3.951 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000543194162 858820705 /nfs/dbraw/zinc/82/07/05/858820705.db2.gz FAMCQMWUFJQYLG-UHFFFAOYSA-N 2 1 381.358 3.951 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532206381 881350984 /nfs/dbraw/zinc/35/09/84/881350984.db2.gz OMNHVQYZUGRPEQ-MSOLQXFVSA-N 2 1 393.531 3.643 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000532206381 881351016 /nfs/dbraw/zinc/35/10/16/881351016.db2.gz OMNHVQYZUGRPEQ-MSOLQXFVSA-N 2 1 393.531 3.643 20 0 GHADMP COc1cccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168020734 858852344 /nfs/dbraw/zinc/85/23/44/858852344.db2.gz NKETWLSGBHGYIQ-IYRWYFENSA-N 2 1 382.548 3.630 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000482829235 858887481 /nfs/dbraw/zinc/88/74/81/858887481.db2.gz WGGXJEXMMVTWIH-GCJKJVERSA-N 2 1 398.547 3.755 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000482843549 858912619 /nfs/dbraw/zinc/91/26/19/858912619.db2.gz NTBWMCHDKBSAFW-LAUBAEHRSA-N 2 1 395.938 3.921 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000482872163 858929303 /nfs/dbraw/zinc/92/93/03/858929303.db2.gz SPUFRCOJEONVDO-FQEVSTJZSA-N 2 1 393.575 3.739 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000482872166 858929501 /nfs/dbraw/zinc/92/95/01/858929501.db2.gz SPUFRCOJEONVDO-HXUWFJFHSA-N 2 1 393.575 3.739 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000482894350 858956826 /nfs/dbraw/zinc/95/68/26/858956826.db2.gz RBYWVCCQSPXZMP-ZJOUEHCJSA-N 2 1 378.532 3.687 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc4ccc(C)cc4[nH]3)C2)ccn1 ZINC000856550066 881365351 /nfs/dbraw/zinc/36/53/51/881365351.db2.gz WLQKZYSNKADFAG-QFIPXVFZSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc4ccc(C)cc4[nH]3)C2)ccn1 ZINC000856550066 881365371 /nfs/dbraw/zinc/36/53/71/881365371.db2.gz WLQKZYSNKADFAG-QFIPXVFZSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc4ccc(C)cc4[nH]3)C2)ccn1 ZINC000856550066 881365391 /nfs/dbraw/zinc/36/53/91/881365391.db2.gz WLQKZYSNKADFAG-QFIPXVFZSA-N 2 1 378.520 3.976 20 0 GHADMP CC[N@@H+]1CCc2nc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)sc2C1 ZINC000184608256 858969661 /nfs/dbraw/zinc/96/96/61/858969661.db2.gz BDWCIRQROYFSFB-UHFFFAOYSA-N 2 1 398.576 3.762 20 0 GHADMP CC[N@H+]1CCc2nc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)sc2C1 ZINC000184608256 858969666 /nfs/dbraw/zinc/96/96/66/858969666.db2.gz BDWCIRQROYFSFB-UHFFFAOYSA-N 2 1 398.576 3.762 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466656400 858974141 /nfs/dbraw/zinc/97/41/41/858974141.db2.gz AQKBVZKURRUHIS-IAGOWNOFSA-N 2 1 397.485 3.613 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000466656400 858974147 /nfs/dbraw/zinc/97/41/47/858974147.db2.gz AQKBVZKURRUHIS-IAGOWNOFSA-N 2 1 397.485 3.613 20 0 GHADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765976299 858982886 /nfs/dbraw/zinc/98/28/86/858982886.db2.gz MQMLLPKWFYDUBP-BEFAXECRSA-N 2 1 386.565 3.808 20 0 GHADMP Cc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001170330272 881369241 /nfs/dbraw/zinc/36/92/41/881369241.db2.gz KDAOUVPMDPBDNG-YSFYHYPLSA-N 2 1 391.563 3.860 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)(C)C ZINC000116494131 859003721 /nfs/dbraw/zinc/00/37/21/859003721.db2.gz ORHRGUAKNCIOTO-LJQANCHMSA-N 2 1 392.613 3.723 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc4c(cccc4C)[nH]3)C2)ccn1 ZINC000856550597 881369645 /nfs/dbraw/zinc/36/96/45/881369645.db2.gz VKIADYWAEWDXJP-NRFANRHFSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc4c(cccc4C)[nH]3)C2)ccn1 ZINC000856550597 881369661 /nfs/dbraw/zinc/36/96/61/881369661.db2.gz VKIADYWAEWDXJP-NRFANRHFSA-N 2 1 378.520 3.976 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc4c(cccc4C)[nH]3)C2)ccn1 ZINC000856550597 881369677 /nfs/dbraw/zinc/36/96/77/881369677.db2.gz VKIADYWAEWDXJP-NRFANRHFSA-N 2 1 378.520 3.976 20 0 GHADMP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000443604531 859033539 /nfs/dbraw/zinc/03/35/39/859033539.db2.gz OMKGCZUUBYQJRR-UHFFFAOYSA-N 2 1 393.597 3.725 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000185163515 859050216 /nfs/dbraw/zinc/05/02/16/859050216.db2.gz AHYOCXIDFNKPBI-HNNXBMFYSA-N 2 1 389.341 3.526 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)c(F)c3)C2)ccn1 ZINC000856552946 881375757 /nfs/dbraw/zinc/37/57/57/881375757.db2.gz IXSGIUXGFYMLQY-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)c(F)c3)C2)ccn1 ZINC000856552946 881375775 /nfs/dbraw/zinc/37/57/75/881375775.db2.gz IXSGIUXGFYMLQY-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)ccn1 ZINC000856552946 881375794 /nfs/dbraw/zinc/37/57/94/881375794.db2.gz IXSGIUXGFYMLQY-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)ccn1 ZINC000856552946 881375814 /nfs/dbraw/zinc/37/58/14/881375814.db2.gz IXSGIUXGFYMLQY-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ncc(-c4ccc(F)cc4)o3)CC2)C[C@H](C)O1 ZINC000116693386 859105260 /nfs/dbraw/zinc/10/52/60/859105260.db2.gz BXROHJRLUFUZLO-IRXDYDNUSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185732489 859122328 /nfs/dbraw/zinc/12/23/28/859122328.db2.gz XGUWLUWISNEGPT-OWCLPIDISA-N 2 1 395.494 3.858 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185732489 859122337 /nfs/dbraw/zinc/12/23/37/859122337.db2.gz XGUWLUWISNEGPT-OWCLPIDISA-N 2 1 395.494 3.858 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185765101 859126602 /nfs/dbraw/zinc/12/66/02/859126602.db2.gz WBSQBXBQMFLAML-CVEARBPZSA-N 2 1 393.959 3.838 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185765101 859126609 /nfs/dbraw/zinc/12/66/09/859126609.db2.gz WBSQBXBQMFLAML-CVEARBPZSA-N 2 1 393.959 3.838 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185769656 859128133 /nfs/dbraw/zinc/12/81/33/859128133.db2.gz VGDZKLMLBUBUDA-YQVWRLOYSA-N 2 1 380.960 3.631 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000443644135 859153105 /nfs/dbraw/zinc/15/31/05/859153105.db2.gz DDFQVZICFWCCIA-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000443644135 859153107 /nfs/dbraw/zinc/15/31/07/859153107.db2.gz DDFQVZICFWCCIA-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000443644135 859153113 /nfs/dbraw/zinc/15/31/13/859153113.db2.gz DDFQVZICFWCCIA-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(Cl)c3F)C2)ccn1 ZINC000856553865 881390285 /nfs/dbraw/zinc/39/02/85/881390285.db2.gz YDDSAUIEXLSEHO-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(Cl)c3F)C2)ccn1 ZINC000856553865 881390330 /nfs/dbraw/zinc/39/03/30/881390330.db2.gz YDDSAUIEXLSEHO-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)ccn1 ZINC000856553865 881390367 /nfs/dbraw/zinc/39/03/67/881390367.db2.gz YDDSAUIEXLSEHO-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)ccn1 ZINC000856553865 881390404 /nfs/dbraw/zinc/39/04/04/881390404.db2.gz YDDSAUIEXLSEHO-GOSISDBHSA-N 2 1 377.891 3.979 20 0 GHADMP CCc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000189016032 881394441 /nfs/dbraw/zinc/39/44/41/881394441.db2.gz OHBJTCVSCQVVKS-XZOQPEGZSA-N 2 1 385.596 3.587 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2C)[C@@H](C)C1 ZINC000469793623 859221309 /nfs/dbraw/zinc/22/13/09/859221309.db2.gz HOVDWRKUYCJYSP-KXBFYZLASA-N 2 1 383.374 3.984 20 0 GHADMP O[C@H](C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923335423 859232563 /nfs/dbraw/zinc/23/25/63/859232563.db2.gz MUEUDVOXJQDDHS-YLJYHZDGSA-N 2 1 377.891 3.552 20 0 GHADMP O[C@H](C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923335423 859232570 /nfs/dbraw/zinc/23/25/70/859232570.db2.gz MUEUDVOXJQDDHS-YLJYHZDGSA-N 2 1 377.891 3.552 20 0 GHADMP C[C@@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000483235932 859233104 /nfs/dbraw/zinc/23/31/04/859233104.db2.gz UACRXUFUIHUESH-UXHICEINSA-N 2 1 392.632 3.983 20 0 GHADMP C[C@H](NC(=O)NC(C)(C)CC[NH+]1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000483235931 859233223 /nfs/dbraw/zinc/23/32/23/859233223.db2.gz UACRXUFUIHUESH-PMACEKPBSA-N 2 1 392.632 3.983 20 0 GHADMP CCCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856555799 881400898 /nfs/dbraw/zinc/40/08/98/881400898.db2.gz RSXCDHPYFQNYJO-QHCPKHFHSA-N 2 1 383.536 3.975 20 0 GHADMP CCCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1 ZINC000856555799 881400926 /nfs/dbraw/zinc/40/09/26/881400926.db2.gz RSXCDHPYFQNYJO-QHCPKHFHSA-N 2 1 383.536 3.975 20 0 GHADMP CCCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1 ZINC000856555799 881400946 /nfs/dbraw/zinc/40/09/46/881400946.db2.gz RSXCDHPYFQNYJO-QHCPKHFHSA-N 2 1 383.536 3.975 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479966392 859325852 /nfs/dbraw/zinc/32/58/52/859325852.db2.gz WUEXFVCDTLEYJV-KDURUIRLSA-N 2 1 376.479 3.638 20 0 GHADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479966392 859325856 /nfs/dbraw/zinc/32/58/56/859325856.db2.gz WUEXFVCDTLEYJV-KDURUIRLSA-N 2 1 376.479 3.638 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4c(c3)COC4)C2)ccn1 ZINC000856558521 881413540 /nfs/dbraw/zinc/41/35/40/881413540.db2.gz ISDFRGJZKMRUFM-HSZRJFAPSA-N 2 1 381.520 3.605 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)COC4)C2)ccn1 ZINC000856558521 881413587 /nfs/dbraw/zinc/41/35/87/881413587.db2.gz ISDFRGJZKMRUFM-HSZRJFAPSA-N 2 1 381.520 3.605 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)COC4)C2)ccn1 ZINC000856558521 881413652 /nfs/dbraw/zinc/41/36/52/881413652.db2.gz ISDFRGJZKMRUFM-HSZRJFAPSA-N 2 1 381.520 3.605 20 0 GHADMP CCc1ccc(-c2noc(C[NH+]3CCC(OCC[NH+](CC)CC)CC3)n2)cc1 ZINC000466732852 859379013 /nfs/dbraw/zinc/37/90/13/859379013.db2.gz LCBPOSAMGWRKNB-UHFFFAOYSA-N 2 1 386.540 3.622 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)C1 ZINC000429443457 859383098 /nfs/dbraw/zinc/38/30/98/859383098.db2.gz CYWWSMNDEKLASP-NQHRYMMQSA-N 2 1 399.623 3.910 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1-n1cncn1 ZINC000509448362 859463902 /nfs/dbraw/zinc/46/39/02/859463902.db2.gz MXMTUQBGALVMFN-HSZRJFAPSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1-n1cncn1 ZINC000509448362 859463903 /nfs/dbraw/zinc/46/39/03/859463903.db2.gz MXMTUQBGALVMFN-HSZRJFAPSA-N 2 1 389.547 3.966 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000483627770 859499939 /nfs/dbraw/zinc/49/99/39/859499939.db2.gz WVDLNISJOGPGNN-QHAWAJNXSA-N 2 1 378.605 3.547 20 0 GHADMP COC(=O)c1cccc(C(=[NH2+])N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168028849 859508929 /nfs/dbraw/zinc/50/89/29/859508929.db2.gz QWBAFYHXBNKHIN-UPHUGPLXSA-N 2 1 379.504 3.830 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764677373 859564410 /nfs/dbraw/zinc/56/44/10/859564410.db2.gz YCQCLUHEFZHMMU-MRXNPFEDSA-N 2 1 396.503 3.856 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764677373 859564417 /nfs/dbraw/zinc/56/44/17/859564417.db2.gz YCQCLUHEFZHMMU-MRXNPFEDSA-N 2 1 396.503 3.856 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cnc1Cl ZINC000856559325 881438160 /nfs/dbraw/zinc/43/81/60/881438160.db2.gz FNTCMMNLGGADTG-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cnc1Cl ZINC000856559325 881438166 /nfs/dbraw/zinc/43/81/66/881438166.db2.gz FNTCMMNLGGADTG-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cnc1Cl ZINC000856559325 881438173 /nfs/dbraw/zinc/43/81/73/881438173.db2.gz FNTCMMNLGGADTG-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cnc1Cl ZINC000856559325 881438184 /nfs/dbraw/zinc/43/81/84/881438184.db2.gz FNTCMMNLGGADTG-FQEVSTJZSA-N 2 1 388.943 3.932 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccsc1 ZINC000483728046 859582142 /nfs/dbraw/zinc/58/21/42/859582142.db2.gz OQYVSBXAJGSYCM-NZSAHSFTSA-N 2 1 380.602 3.645 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3nc(C(C)(C)C)co3)C2)ccn1 ZINC000895501667 859602040 /nfs/dbraw/zinc/60/20/40/859602040.db2.gz ZUZINCCPAVOLBT-IBGZPJMESA-N 2 1 386.540 3.861 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483766940 859607087 /nfs/dbraw/zinc/60/70/87/859607087.db2.gz UYWVCQVRQJWMAL-RXVVDRJESA-N 2 1 384.568 3.528 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C4CCC4)cnn3C)C2)ccn1 ZINC000856560655 881444983 /nfs/dbraw/zinc/44/49/83/881444983.db2.gz YLEGOQUTIFRPBL-NRFANRHFSA-N 2 1 397.567 3.576 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(C4CCC4)cnn3C)C2)ccn1 ZINC000856560655 881444988 /nfs/dbraw/zinc/44/49/88/881444988.db2.gz YLEGOQUTIFRPBL-NRFANRHFSA-N 2 1 397.567 3.576 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(C4CCC4)cnn3C)C2)ccn1 ZINC000856560655 881444992 /nfs/dbraw/zinc/44/49/92/881444992.db2.gz YLEGOQUTIFRPBL-NRFANRHFSA-N 2 1 397.567 3.576 20 0 GHADMP C[C@@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000474262902 859722840 /nfs/dbraw/zinc/72/28/40/859722840.db2.gz BQTZNFPOEJJDKE-NQIIRXRSSA-N 2 1 397.529 3.986 20 0 GHADMP CC1(C)CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000484007522 859749842 /nfs/dbraw/zinc/74/98/42/859749842.db2.gz NNXDECTULPIICK-UHFFFAOYSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)c1 ZINC000474305130 859816552 /nfs/dbraw/zinc/81/65/52/859816552.db2.gz NHHGOAQSEMLZCO-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)c1 ZINC000474305130 859816558 /nfs/dbraw/zinc/81/65/58/859816558.db2.gz NHHGOAQSEMLZCO-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474305130 859816560 /nfs/dbraw/zinc/81/65/60/859816560.db2.gz NHHGOAQSEMLZCO-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474305130 859816569 /nfs/dbraw/zinc/81/65/69/859816569.db2.gz NHHGOAQSEMLZCO-JOCHJYFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175902 859848402 /nfs/dbraw/zinc/84/84/02/859848402.db2.gz SDJWHSFWAACEMJ-KBXCAEBGSA-N 2 1 395.366 3.798 20 0 GHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(F)cc1 ZINC000512659517 859870029 /nfs/dbraw/zinc/87/00/29/859870029.db2.gz HRRKZHIGJAIZFL-BVYCBKJFSA-N 2 1 381.495 3.655 20 0 GHADMP O=C(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccc(F)cc1 ZINC000512659517 859870037 /nfs/dbraw/zinc/87/00/37/859870037.db2.gz HRRKZHIGJAIZFL-BVYCBKJFSA-N 2 1 381.495 3.655 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)[C@H](C)C1 ZINC000484288118 859925326 /nfs/dbraw/zinc/92/53/26/859925326.db2.gz HQTFWHFCARQXLI-LMNJBCLMSA-N 2 1 379.976 3.645 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536175903 860270406 /nfs/dbraw/zinc/27/04/06/860270406.db2.gz XTFADIYWHSSLKK-MJGOQNOKSA-N 2 1 381.358 3.509 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000484720069 860287297 /nfs/dbraw/zinc/28/72/97/860287297.db2.gz QRXNXQJHLLNPHD-TWRVUUBYSA-N 2 1 394.563 3.813 20 0 GHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000522448001 860304752 /nfs/dbraw/zinc/30/47/52/860304752.db2.gz JXKRIOVTKPHKOB-QFIPXVFZSA-N 2 1 386.584 3.546 20 0 GHADMP COC(=O)c1coc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000602839493 860309995 /nfs/dbraw/zinc/30/99/95/860309995.db2.gz KCIAYQKFRQZTGJ-QGZVFWFLSA-N 2 1 383.492 3.510 20 0 GHADMP COC(=O)c1coc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000602839493 860310006 /nfs/dbraw/zinc/31/00/06/860310006.db2.gz KCIAYQKFRQZTGJ-QGZVFWFLSA-N 2 1 383.492 3.510 20 0 GHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1cccc(C(F)(F)F)c1 ZINC000484805239 860362741 /nfs/dbraw/zinc/36/27/41/860362741.db2.gz JXZPWSXECQLHGO-OWYHZJEWSA-N 2 1 386.458 3.610 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000532230915 881556446 /nfs/dbraw/zinc/55/64/46/881556446.db2.gz ZZAMRKDVKGIQFB-HUVFLSCGSA-N 2 1 380.532 3.545 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000532230915 881556461 /nfs/dbraw/zinc/55/64/61/881556461.db2.gz ZZAMRKDVKGIQFB-HUVFLSCGSA-N 2 1 380.532 3.545 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000904645874 860542766 /nfs/dbraw/zinc/54/27/66/860542766.db2.gz DVEYTBBFMLFFFT-HNAYVOBHSA-N 2 1 390.890 3.752 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)C[C@@H]1c1ccccc1 ZINC000453345227 860653231 /nfs/dbraw/zinc/65/32/31/860653231.db2.gz FERUPXMCILASGC-MNVIUDHYSA-N 2 1 382.552 3.805 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)C[C@@H]1c1ccccc1 ZINC000453345227 860653235 /nfs/dbraw/zinc/65/32/35/860653235.db2.gz FERUPXMCILASGC-MNVIUDHYSA-N 2 1 382.552 3.805 20 0 GHADMP CC(C)[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000474721717 860677725 /nfs/dbraw/zinc/67/77/25/860677725.db2.gz VBIMFSJBKRRCEV-RPWUZVMVSA-N 2 1 393.575 3.913 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3cc(C)cc(C)c3)C2)ccn1 ZINC000856594807 881569130 /nfs/dbraw/zinc/56/91/30/881569130.db2.gz XQHSEULKICXUEM-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3cc(C)cc(C)c3)C2)ccn1 ZINC000856594807 881569144 /nfs/dbraw/zinc/56/91/44/881569144.db2.gz XQHSEULKICXUEM-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3cc(C)cc(C)c3)C2)ccn1 ZINC000856594807 881569154 /nfs/dbraw/zinc/56/91/54/881569154.db2.gz XQHSEULKICXUEM-QFIPXVFZSA-N 2 1 383.536 3.682 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3ccc(Cl)cc3)C2)ccn1 ZINC000856594649 881569434 /nfs/dbraw/zinc/56/94/34/881569434.db2.gz WZEOSBNBERFRGE-OAQYLSRUSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3ccc(Cl)cc3)C2)ccn1 ZINC000856594649 881569448 /nfs/dbraw/zinc/56/94/48/881569448.db2.gz WZEOSBNBERFRGE-OAQYLSRUSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3ccc(Cl)cc3)C2)ccn1 ZINC000856594649 881569461 /nfs/dbraw/zinc/56/94/61/881569461.db2.gz WZEOSBNBERFRGE-OAQYLSRUSA-N 2 1 389.927 3.719 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccc(Cl)cc1 ZINC000509052996 860700020 /nfs/dbraw/zinc/70/00/20/860700020.db2.gz SFVXQOMJJVWGNI-FQEVSTJZSA-N 2 1 394.991 3.895 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3ccc(Cl)cc3)C2)ccn1 ZINC000856594648 881570051 /nfs/dbraw/zinc/57/00/51/881570051.db2.gz WZEOSBNBERFRGE-NRFANRHFSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3ccc(Cl)cc3)C2)ccn1 ZINC000856594648 881570064 /nfs/dbraw/zinc/57/00/64/881570064.db2.gz WZEOSBNBERFRGE-NRFANRHFSA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3ccc(Cl)cc3)C2)ccn1 ZINC000856594648 881570075 /nfs/dbraw/zinc/57/00/75/881570075.db2.gz WZEOSBNBERFRGE-NRFANRHFSA-N 2 1 389.927 3.719 20 0 GHADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+]1CCc2sccc2C1 ZINC000098129842 860734890 /nfs/dbraw/zinc/73/48/90/860734890.db2.gz PQERTUBCJRHUSR-QGZVFWFLSA-N 2 1 383.561 3.521 20 0 GHADMP C[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2sccc2C1 ZINC000098129842 860734898 /nfs/dbraw/zinc/73/48/98/860734898.db2.gz PQERTUBCJRHUSR-QGZVFWFLSA-N 2 1 383.561 3.521 20 0 GHADMP CC(=O)Nc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856600892 881576075 /nfs/dbraw/zinc/57/60/75/881576075.db2.gz YMCKFMCQDVTDKV-QHCPKHFHSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856600892 881576084 /nfs/dbraw/zinc/57/60/84/881576084.db2.gz YMCKFMCQDVTDKV-QHCPKHFHSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856600892 881576093 /nfs/dbraw/zinc/57/60/93/881576093.db2.gz YMCKFMCQDVTDKV-QHCPKHFHSA-N 2 1 396.535 3.534 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1(C)C ZINC000623527010 861159905 /nfs/dbraw/zinc/15/99/05/861159905.db2.gz CXEXJXWZLNUIGR-HNNXBMFYSA-N 2 1 382.430 3.804 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1(C)C ZINC000623527010 861159917 /nfs/dbraw/zinc/15/99/17/861159917.db2.gz CXEXJXWZLNUIGR-HNNXBMFYSA-N 2 1 382.430 3.804 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000730585835 861182905 /nfs/dbraw/zinc/18/29/05/861182905.db2.gz PTQSIRRSOQLLAJ-UHFFFAOYSA-N 2 1 396.579 3.781 20 0 GHADMP CC[C@@H]1[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048924 863107537 /nfs/dbraw/zinc/10/75/37/863107537.db2.gz YJKOYGOYPSOSDH-MWYJAUPDSA-N 2 1 383.580 3.951 20 0 GHADMP CC[C@@H]1[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CCC[C@]12CCC(=O)N2 ZINC001168048924 863107549 /nfs/dbraw/zinc/10/75/49/863107549.db2.gz YJKOYGOYPSOSDH-MWYJAUPDSA-N 2 1 383.580 3.951 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000499233317 881639439 /nfs/dbraw/zinc/63/94/39/881639439.db2.gz JRQMXXDGWIGOHG-KCSJKLDESA-N 2 1 383.580 3.855 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC000482529259 863259707 /nfs/dbraw/zinc/25/97/07/863259707.db2.gz BBSMFYOQCISOKP-SIKLNZKXSA-N 2 1 395.547 3.504 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000482556558 863308059 /nfs/dbraw/zinc/30/80/59/863308059.db2.gz NPYDENRILIQZLI-DHIUTWEWSA-N 2 1 379.548 3.538 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2C)cc1 ZINC000183154607 863489939 /nfs/dbraw/zinc/48/99/39/863489939.db2.gz RYRIZMICPQLZFH-SFHVURJKSA-N 2 1 376.504 3.798 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000120587120 881678995 /nfs/dbraw/zinc/67/89/95/881678995.db2.gz WNCHFRUITDJLEP-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606902939 863926536 /nfs/dbraw/zinc/92/65/36/863926536.db2.gz GVIVURWYTMCDCD-VQTJNVASSA-N 2 1 377.532 3.573 20 0 GHADMP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158852447 863970089 /nfs/dbraw/zinc/97/00/89/863970089.db2.gz DLQNMZMRPLYVHT-MSOLQXFVSA-N 2 1 377.598 3.729 20 0 GHADMP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158852447 863970096 /nfs/dbraw/zinc/97/00/96/863970096.db2.gz DLQNMZMRPLYVHT-MSOLQXFVSA-N 2 1 377.598 3.729 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000856755681 881722718 /nfs/dbraw/zinc/72/27/18/881722718.db2.gz WWGLZTIVTFPPSE-QHCPKHFHSA-N 2 1 391.559 3.890 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)C[C@@H]3C2)cc1 ZINC000898518449 864076777 /nfs/dbraw/zinc/07/67/77/864076777.db2.gz IXOHECUWCBGNMZ-WMTXJRDZSA-N 3 1 390.575 3.941 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000475127668 864266897 /nfs/dbraw/zinc/26/68/97/864266897.db2.gz DHNJGMSBCABKMR-DHIUTWEWSA-N 2 1 394.563 3.514 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1Oc1ccccc1 ZINC000480223192 864292434 /nfs/dbraw/zinc/29/24/34/864292434.db2.gz JWEMXCPQWQVDDN-SDHSZQHLSA-N 2 1 394.559 3.908 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(NC(=O)N3CCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056957 864362799 /nfs/dbraw/zinc/36/27/99/864362799.db2.gz KPPYNPDWFGPLTA-JHDGKUDLSA-N 2 1 398.595 3.698 20 0 GHADMP CCC[N@H+](Cc1cncc(OCC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000621717228 864378089 /nfs/dbraw/zinc/37/80/89/864378089.db2.gz ZTFLDYGNWSWAGO-UHFFFAOYSA-N 2 1 383.540 3.768 20 0 GHADMP CCC[N@@H+](Cc1cncc(OCC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000621717228 864378104 /nfs/dbraw/zinc/37/81/04/864378104.db2.gz ZTFLDYGNWSWAGO-UHFFFAOYSA-N 2 1 383.540 3.768 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000159245259 864440999 /nfs/dbraw/zinc/44/09/99/864440999.db2.gz PMYWTWSVEBVNGB-QDSKXPNFSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000159245259 864441003 /nfs/dbraw/zinc/44/10/03/864441003.db2.gz PMYWTWSVEBVNGB-QDSKXPNFSA-N 2 1 384.612 3.926 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000159245259 864441009 /nfs/dbraw/zinc/44/10/09/864441009.db2.gz PMYWTWSVEBVNGB-QDSKXPNFSA-N 2 1 384.612 3.926 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059266 864521938 /nfs/dbraw/zinc/52/19/38/864521938.db2.gz SWICFAWUROZUCU-CNNODRBYSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168059266 864521944 /nfs/dbraw/zinc/52/19/44/864521944.db2.gz SWICFAWUROZUCU-CNNODRBYSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000163711258 864556515 /nfs/dbraw/zinc/55/65/15/864556515.db2.gz CTNHZDVYTKDBDX-DVECYGJZSA-N 2 1 390.531 3.905 20 0 GHADMP C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163934174 864579431 /nfs/dbraw/zinc/57/94/31/864579431.db2.gz RYIHXQSEOXVULT-SFHVURJKSA-N 2 1 388.577 3.959 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CNC[C@H]3CC[NH+](Cc4ccccc4)C3)sc2C1 ZINC000475224068 864604647 /nfs/dbraw/zinc/60/46/47/864604647.db2.gz LQXUYSFKSHROMA-LJQANCHMSA-N 2 1 384.593 3.521 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000475224068 864604649 /nfs/dbraw/zinc/60/46/49/864604649.db2.gz LQXUYSFKSHROMA-LJQANCHMSA-N 2 1 384.593 3.521 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000475224068 864604651 /nfs/dbraw/zinc/60/46/51/864604651.db2.gz LQXUYSFKSHROMA-LJQANCHMSA-N 2 1 384.593 3.521 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000480426777 864629337 /nfs/dbraw/zinc/62/93/37/864629337.db2.gz KIWLUECHKMBONB-URXFXBBRSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000480426777 864629340 /nfs/dbraw/zinc/62/93/40/864629340.db2.gz KIWLUECHKMBONB-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000480426777 864629348 /nfs/dbraw/zinc/62/93/48/864629348.db2.gz KIWLUECHKMBONB-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000480426777 864629351 /nfs/dbraw/zinc/62/93/51/864629351.db2.gz KIWLUECHKMBONB-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC000607734558 864660846 /nfs/dbraw/zinc/66/08/46/864660846.db2.gz LZOXHDUDRVDILP-OAQYLSRUSA-N 2 1 395.547 3.570 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccc(Oc4ccccc4)cc3)CC2)C1 ZINC000607734558 864660853 /nfs/dbraw/zinc/66/08/53/864660853.db2.gz LZOXHDUDRVDILP-OAQYLSRUSA-N 2 1 395.547 3.570 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3c(OC)cccc3OC)nc2)CC1 ZINC000165411648 864670430 /nfs/dbraw/zinc/67/04/30/864670430.db2.gz ZQKFDGNBFHVSFS-UHFFFAOYSA-N 2 1 385.508 3.855 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n(-c2cc[nH+]cc2)n1 ZINC000667687495 864779564 /nfs/dbraw/zinc/77/95/64/864779564.db2.gz OBXRLXFBMVAZSB-MRXNPFEDSA-N 2 1 379.533 3.982 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n(-c2cc[nH+]cc2)n1 ZINC000667687495 864779569 /nfs/dbraw/zinc/77/95/69/864779569.db2.gz OBXRLXFBMVAZSB-MRXNPFEDSA-N 2 1 379.533 3.982 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000607897568 864851987 /nfs/dbraw/zinc/85/19/87/864851987.db2.gz CCLQMZZTAFVWQC-IRXDYDNUSA-N 2 1 399.501 3.683 20 0 GHADMP C[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)Cc1ccc(F)cc1 ZINC000622414110 864983349 /nfs/dbraw/zinc/98/33/49/864983349.db2.gz NIGDCGSGOAOGEK-UHFFFAOYSA-N 2 1 383.511 3.673 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000840862445 865024421 /nfs/dbraw/zinc/02/44/21/865024421.db2.gz GMLYOWZMEYCZQP-COPCDDAFSA-N 2 1 381.520 3.750 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000840862445 865024426 /nfs/dbraw/zinc/02/44/26/865024426.db2.gz GMLYOWZMEYCZQP-COPCDDAFSA-N 2 1 381.520 3.750 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000480646389 865034449 /nfs/dbraw/zinc/03/44/49/865034449.db2.gz VCCNLWJTNDYGKZ-WZONZLPQSA-N 2 1 377.532 3.802 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000667724143 865061794 /nfs/dbraw/zinc/06/17/94/865061794.db2.gz YVXGVHBVLVRWFC-DNVCBOLYSA-N 2 1 390.890 3.752 20 0 GHADMP CCSc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000554883315 865112561 /nfs/dbraw/zinc/11/25/61/865112561.db2.gz BOUZHZKZJGEKOG-RTBURBONSA-N 2 1 392.609 3.889 20 0 GHADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000554884476 865114398 /nfs/dbraw/zinc/11/43/98/865114398.db2.gz SBUHOBDNUSDPQA-UHFFFAOYSA-N 2 1 377.536 3.767 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000554884476 865114406 /nfs/dbraw/zinc/11/44/06/865114406.db2.gz SBUHOBDNUSDPQA-UHFFFAOYSA-N 2 1 377.536 3.767 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000480778770 865250297 /nfs/dbraw/zinc/25/02/97/865250297.db2.gz KZOQSJHATBZMMU-KRWDZBQOSA-N 2 1 389.565 3.749 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000622752284 865264232 /nfs/dbraw/zinc/26/42/32/865264232.db2.gz YNKNBSDQKOJTRZ-XZOQPEGZSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000622752284 865264243 /nfs/dbraw/zinc/26/42/43/865264243.db2.gz YNKNBSDQKOJTRZ-XZOQPEGZSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000622752284 865264252 /nfs/dbraw/zinc/26/42/52/865264252.db2.gz YNKNBSDQKOJTRZ-XZOQPEGZSA-N 2 1 383.580 3.559 20 0 GHADMP COc1ccc2c(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000173972912 865268789 /nfs/dbraw/zinc/26/87/89/865268789.db2.gz AJQSLVPSWDRPCU-LJQANCHMSA-N 2 1 392.499 3.756 20 0 GHADMP COc1ccc2c(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000173972912 865268807 /nfs/dbraw/zinc/26/88/07/865268807.db2.gz AJQSLVPSWDRPCU-LJQANCHMSA-N 2 1 392.499 3.756 20 0 GHADMP COc1ccc2c(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000173972912 865268826 /nfs/dbraw/zinc/26/88/26/865268826.db2.gz AJQSLVPSWDRPCU-LJQANCHMSA-N 2 1 392.499 3.756 20 0 GHADMP COc1ccc2c(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000173972912 865268840 /nfs/dbraw/zinc/26/88/40/865268840.db2.gz AJQSLVPSWDRPCU-LJQANCHMSA-N 2 1 392.499 3.756 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480796740 865289780 /nfs/dbraw/zinc/28/97/80/865289780.db2.gz IHPYSUYQAXOISI-JOCHJYFZSA-N 2 1 383.580 3.943 20 0 GHADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000480898321 865485564 /nfs/dbraw/zinc/48/55/64/865485564.db2.gz MMKVVJPXORDNNS-UUOWRZLLSA-N 2 1 381.539 3.986 20 0 GHADMP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)ccc1OCc1ccncc1 ZINC000480925168 865525487 /nfs/dbraw/zinc/52/54/87/865525487.db2.gz ICQYTHIBYHBSML-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000667819489 865831908 /nfs/dbraw/zinc/83/19/08/865831908.db2.gz QDYLUUWEOJWPKW-IRLDBZIGSA-N 2 1 378.520 3.664 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000189563711 881914367 /nfs/dbraw/zinc/91/43/67/881914367.db2.gz OHRQKNGVXKQUGC-FRIKZZABSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481164314 865901754 /nfs/dbraw/zinc/90/17/54/865901754.db2.gz GYIQWAYKWOBIIB-YMPZKCBVSA-N 2 1 382.548 3.543 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000667829787 865919489 /nfs/dbraw/zinc/91/94/89/865919489.db2.gz DGXSMADUZKXQAC-GOSISDBHSA-N 2 1 396.510 3.505 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000481177280 865929061 /nfs/dbraw/zinc/92/90/61/865929061.db2.gz TZPQRPLWLKPEKV-NPPFBWRTSA-N 2 1 383.511 3.503 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000481177280 865929067 /nfs/dbraw/zinc/92/90/67/865929067.db2.gz TZPQRPLWLKPEKV-NPPFBWRTSA-N 2 1 383.511 3.503 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481203130 865998903 /nfs/dbraw/zinc/99/89/03/865998903.db2.gz STSSVGSCWJVLBP-JXALWOEJSA-N 2 1 393.575 3.926 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481203130 865998907 /nfs/dbraw/zinc/99/89/07/865998907.db2.gz STSSVGSCWJVLBP-JXALWOEJSA-N 2 1 393.575 3.926 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000667850030 866096507 /nfs/dbraw/zinc/09/65/07/866096507.db2.gz YGBZUQVKTQGYBN-WTIAFYNJSA-N 2 1 390.531 3.712 20 0 GHADMP CCC(C)(C)[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000665787655 866302017 /nfs/dbraw/zinc/30/20/17/866302017.db2.gz PQMLQKMBPIKESY-SFHVURJKSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456326204 866444678 /nfs/dbraw/zinc/44/46/78/866444678.db2.gz GJRVSJXXEVXUBP-NRFANRHFSA-N 2 1 391.559 3.877 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000665821149 866455262 /nfs/dbraw/zinc/45/52/62/866455262.db2.gz IFIQYSWEUPOQSC-HXUWFJFHSA-N 2 1 386.584 3.957 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170427665 882006885 /nfs/dbraw/zinc/00/68/85/882006885.db2.gz ASBDORVVEWATIQ-JBACZVJFSA-N 2 1 381.520 3.904 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000741788439 866789707 /nfs/dbraw/zinc/78/97/07/866789707.db2.gz UNEXGNNXZSPGDR-VQTJNVASSA-N 2 1 379.589 3.831 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@H]3CC3CCC3)CC2)CC1 ZINC000620569191 866867254 /nfs/dbraw/zinc/86/72/54/866867254.db2.gz QWFVHNUXKQWQEX-QFIPXVFZSA-N 2 1 375.601 3.754 20 0 GHADMP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000553401890 867353464 /nfs/dbraw/zinc/35/34/64/867353464.db2.gz FCFIVOZDNGWBFR-IBGZPJMESA-N 2 1 377.916 3.516 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000553401890 867353476 /nfs/dbraw/zinc/35/34/76/867353476.db2.gz FCFIVOZDNGWBFR-IBGZPJMESA-N 2 1 377.916 3.516 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000183710182 867429229 /nfs/dbraw/zinc/42/92/29/867429229.db2.gz UNITXDYSTHHRRU-LPHOPBHVSA-N 2 1 399.539 3.843 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000133234353 882085220 /nfs/dbraw/zinc/08/52/20/882085220.db2.gz HDIYYSLLZQTMEU-WOJBJXKFSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000133234353 882085239 /nfs/dbraw/zinc/08/52/39/882085239.db2.gz HDIYYSLLZQTMEU-WOJBJXKFSA-N 2 1 392.975 3.505 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000553499087 867518273 /nfs/dbraw/zinc/51/82/73/867518273.db2.gz ZQNCXZLGXHRDGO-QHCPKHFHSA-N 2 1 393.575 3.775 20 0 GHADMP CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457070354 867607070 /nfs/dbraw/zinc/60/70/70/867607070.db2.gz OEUVCYYCJKMWSA-SFHVURJKSA-N 2 1 389.506 3.659 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000523635781 867702580 /nfs/dbraw/zinc/70/25/80/867702580.db2.gz RWZBRHSHYGHGMG-WTIAFYNJSA-N 2 1 383.580 3.799 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000509499119 882120354 /nfs/dbraw/zinc/12/03/54/882120354.db2.gz RDJRAHVOADTHBL-PZJWPPBQSA-N 2 1 399.510 3.584 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258898 882151149 /nfs/dbraw/zinc/15/11/49/882151149.db2.gz IYVQQRSNEUFVPZ-UNMCSNQZSA-N 2 1 383.511 3.668 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[NH+](C)C)cc1 ZINC000523902539 868252592 /nfs/dbraw/zinc/25/25/92/868252592.db2.gz NBHVXDAYPWAZIN-PMOQBDJRSA-N 2 1 394.563 3.732 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000156195091 868282557 /nfs/dbraw/zinc/28/25/57/868282557.db2.gz ICEKFEZEVSSJMS-OALUTQOASA-N 2 1 390.535 3.888 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000479654815 868311864 /nfs/dbraw/zinc/31/18/64/868311864.db2.gz HYPKIXZEYIIZPY-DWLFOUALSA-N 2 1 388.600 3.798 20 0 GHADMP Cc1[nH+]ccn1CC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000457514476 868372766 /nfs/dbraw/zinc/37/27/66/868372766.db2.gz QCOTZXOXEHEDMO-UHFFFAOYSA-N 2 1 390.531 3.761 20 0 GHADMP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1C ZINC000156897088 868494955 /nfs/dbraw/zinc/49/49/55/868494955.db2.gz UYIBRSPJGONKMK-KNQAVFIVSA-N 2 1 379.548 3.852 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCSCC5)C4)[C@H]3C2)cc1 ZINC000272611439 868511798 /nfs/dbraw/zinc/51/17/98/868511798.db2.gz WIRPPEWGGVDVLH-LRSLUSHPSA-N 2 1 386.605 3.931 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2)C[C@H](C)O1 ZINC000157140662 868570323 /nfs/dbraw/zinc/57/03/23/868570323.db2.gz OOOYHDLWKMFNKT-KDURUIRLSA-N 2 1 386.584 3.582 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000479856852 868608121 /nfs/dbraw/zinc/60/81/21/868608121.db2.gz ZYFZTVHXGJOMQJ-FCEUIQTBSA-N 2 1 399.604 3.622 20 0 GHADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000479875451 868641386 /nfs/dbraw/zinc/64/13/86/868641386.db2.gz QQFBTRHRZZHVGY-VJBMBRPKSA-N 2 1 381.564 3.798 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)C1 ZINC000667569758 868682227 /nfs/dbraw/zinc/68/22/27/868682227.db2.gz RVASXSFOJCAYJP-SCTDSRPQSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000667569758 868682238 /nfs/dbraw/zinc/68/22/38/868682238.db2.gz RVASXSFOJCAYJP-SCTDSRPQSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000667569758 868682247 /nfs/dbraw/zinc/68/22/47/868682247.db2.gz RVASXSFOJCAYJP-SCTDSRPQSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000667569758 868682253 /nfs/dbraw/zinc/68/22/53/868682253.db2.gz RVASXSFOJCAYJP-SCTDSRPQSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000667569758 868682261 /nfs/dbraw/zinc/68/22/61/868682261.db2.gz RVASXSFOJCAYJP-SCTDSRPQSA-N 2 1 394.563 3.633 20 0 GHADMP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1Cl ZINC000554087627 868730263 /nfs/dbraw/zinc/73/02/63/868730263.db2.gz YGGJRSFLZZUHRZ-SFHVURJKSA-N 2 1 390.930 3.852 20 0 GHADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000745785067 869808448 /nfs/dbraw/zinc/80/84/48/869808448.db2.gz HAYFYXVHYQUIGT-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462717139 869960677 /nfs/dbraw/zinc/96/06/77/869960677.db2.gz VPGAOSRRQBZENV-RZUBCFFCSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462717139 869960685 /nfs/dbraw/zinc/96/06/85/869960685.db2.gz VPGAOSRRQBZENV-RZUBCFFCSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462717139 869960695 /nfs/dbraw/zinc/96/06/95/869960695.db2.gz VPGAOSRRQBZENV-RZUBCFFCSA-N 2 1 388.600 3.801 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000446571622 870021387 /nfs/dbraw/zinc/02/13/87/870021387.db2.gz KEZNHYBYKIDWQY-NRFANRHFSA-N 2 1 386.584 3.957 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000446580071 870056152 /nfs/dbraw/zinc/05/61/52/870056152.db2.gz KTYVZETZVPXPME-XMMPIXPASA-N 2 1 394.563 3.967 20 0 GHADMP Brc1cc2c(c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c1)OCC2 ZINC000462789820 870084674 /nfs/dbraw/zinc/08/46/74/870084674.db2.gz GTAKBZLBNMNCNI-UHFFFAOYSA-N 2 1 379.342 3.692 20 0 GHADMP Cn1nc2c(c1C[NH2+][C@@H]1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000462819028 870152502 /nfs/dbraw/zinc/15/25/02/870152502.db2.gz SFBWKPLBKMIKBZ-CEMLEFRQSA-N 2 1 378.564 3.689 20 0 GHADMP CN(C(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168110 870306733 /nfs/dbraw/zinc/30/67/33/870306733.db2.gz UEWGZYQMGVTZMO-DHIUTWEWSA-N 2 1 391.559 3.651 20 0 GHADMP C[C@H](NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000248198488 870315130 /nfs/dbraw/zinc/31/51/30/870315130.db2.gz XVAGQFHBHYXBMD-ZTENYAIWSA-N 2 1 398.378 3.975 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248214847 870317419 /nfs/dbraw/zinc/31/74/19/870317419.db2.gz ZKTRZKGHMLFTRV-BJKOFHAPSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248214847 870317425 /nfs/dbraw/zinc/31/74/25/870317425.db2.gz ZKTRZKGHMLFTRV-BJKOFHAPSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000538688695 870352813 /nfs/dbraw/zinc/35/28/13/870352813.db2.gz YEPDVRZFZADUSN-RTBURBONSA-N 2 1 394.563 3.556 20 0 GHADMP Cn1c(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2cc(F)ccc21 ZINC000248406995 870382502 /nfs/dbraw/zinc/38/25/02/870382502.db2.gz CNSXMHAZDJDBFW-CEWLAPEOSA-N 2 1 392.522 3.755 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462967715 870561771 /nfs/dbraw/zinc/56/17/71/870561771.db2.gz RHIOKYXMMZTCGQ-LDDOYCOJSA-N 2 1 399.373 3.590 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462967715 870561784 /nfs/dbraw/zinc/56/17/84/870561784.db2.gz RHIOKYXMMZTCGQ-LDDOYCOJSA-N 2 1 399.373 3.590 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1csc(Cl)c1 ZINC000248700269 870595564 /nfs/dbraw/zinc/59/55/64/870595564.db2.gz MNAYLJBKIQSEBK-WMLDXEAASA-N 2 1 391.968 3.950 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540160561 870624311 /nfs/dbraw/zinc/62/43/11/870624311.db2.gz NZFIOFIDCDKCCC-GBESFXJTSA-N 2 1 397.332 3.543 20 0 GHADMP COCC[NH+]1CCC([NH2+]C[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000540166771 870649252 /nfs/dbraw/zinc/64/92/52/870649252.db2.gz COQLYIRFBUCPKJ-AWEZNQCLSA-N 2 1 387.387 3.630 20 0 GHADMP CCC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000766380493 870666953 /nfs/dbraw/zinc/66/69/53/870666953.db2.gz GTRIFJMHFBSFRD-SFHVURJKSA-N 2 1 379.614 3.826 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(C)CC[C@H](C)C3(C)C)CC2)CC1 ZINC000617663392 870677619 /nfs/dbraw/zinc/67/76/19/870677619.db2.gz SFHYTLXLFLTUMY-MBSDFSHPSA-N 2 1 377.617 3.761 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCS2 ZINC000249183692 870782832 /nfs/dbraw/zinc/78/28/32/870782832.db2.gz JPZQDYBYFLZYOS-KNQAVFIVSA-N 2 1 398.572 3.979 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000538869018 870792101 /nfs/dbraw/zinc/79/21/01/870792101.db2.gz VBYACIVOFKEWPU-BLIXFSHQSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000538869018 870792111 /nfs/dbraw/zinc/79/21/11/870792111.db2.gz VBYACIVOFKEWPU-BLIXFSHQSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ncc(Br)cc1F ZINC000249529334 870860314 /nfs/dbraw/zinc/86/03/14/870860314.db2.gz AMHUBWWNRBYZFV-HZSPNIEDSA-N 2 1 388.325 3.523 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000249753060 870902311 /nfs/dbraw/zinc/90/23/11/870902311.db2.gz SALISSXKCSIMAP-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249753060 870902319 /nfs/dbraw/zinc/90/23/19/870902319.db2.gz SALISSXKCSIMAP-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000249753060 870902333 /nfs/dbraw/zinc/90/23/33/870902333.db2.gz SALISSXKCSIMAP-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000447055697 870929999 /nfs/dbraw/zinc/92/99/99/870929999.db2.gz VPBVQTAQMSKNME-IBGZPJMESA-N 2 1 390.616 3.547 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)c3ccc4c[nH+]cn4c3)sc2c1)C1CC1 ZINC000617866033 870978975 /nfs/dbraw/zinc/97/89/75/870978975.db2.gz ZYSIJKOVBQKPLB-UHFFFAOYSA-N 2 1 377.473 3.791 20 0 GHADMP COc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000174409078 882467692 /nfs/dbraw/zinc/46/76/92/882467692.db2.gz UUOMDWBRJPXAHD-FQEVSTJZSA-N 2 1 380.532 3.953 20 0 GHADMP CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001169078650 871183666 /nfs/dbraw/zinc/18/36/66/871183666.db2.gz OJMRNWWNKXKQPV-QFIPXVFZSA-N 2 1 398.595 3.824 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449075167 871196131 /nfs/dbraw/zinc/19/61/31/871196131.db2.gz DHKAXXOMEKXWMC-GOSISDBHSA-N 2 1 386.561 3.754 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449122126 871209030 /nfs/dbraw/zinc/20/90/30/871209030.db2.gz KKCVSMOYNWJNOW-XLIONFOSSA-N 2 1 377.960 3.508 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461907301 871210949 /nfs/dbraw/zinc/21/09/49/871210949.db2.gz HEZVLUXOIZKWSN-GOSISDBHSA-N 2 1 396.535 3.575 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461907301 871210967 /nfs/dbraw/zinc/21/09/67/871210967.db2.gz HEZVLUXOIZKWSN-GOSISDBHSA-N 2 1 396.535 3.575 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C1)C2 ZINC001169128283 871217265 /nfs/dbraw/zinc/21/72/65/871217265.db2.gz CECBRHHZIMTRDA-DMPNSMEDSA-N 2 1 397.563 3.830 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C1)C2 ZINC001169128283 871217279 /nfs/dbraw/zinc/21/72/79/871217279.db2.gz CECBRHHZIMTRDA-DMPNSMEDSA-N 2 1 397.563 3.830 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C1)C2 ZINC001169128283 871217296 /nfs/dbraw/zinc/21/72/96/871217296.db2.gz CECBRHHZIMTRDA-DMPNSMEDSA-N 2 1 397.563 3.830 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000539084705 871228923 /nfs/dbraw/zinc/22/89/23/871228923.db2.gz VGBIPEOQBRGTDZ-PKOBYXMFSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)CC[N@H+]1Cc1ccccc1 ZINC000539084705 871228944 /nfs/dbraw/zinc/22/89/44/871228944.db2.gz VGBIPEOQBRGTDZ-PKOBYXMFSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000539085870 871230331 /nfs/dbraw/zinc/23/03/31/871230331.db2.gz YUOUGFSLPBRKKI-XLIONFOSSA-N 2 1 380.511 3.755 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)C2)c1 ZINC001169148914 871259927 /nfs/dbraw/zinc/25/99/27/871259927.db2.gz GRFVVNTWARCEII-NRFANRHFSA-N 2 1 376.504 3.604 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+]C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169284237 871368490 /nfs/dbraw/zinc/36/84/90/871368490.db2.gz UAYDCAKVBXDBKL-UHFFFAOYSA-N 3 1 389.584 3.630 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(Br)c(Br)o2)CCC[C@H]1C[NH3+] ZINC001206005934 871398398 /nfs/dbraw/zinc/39/83/98/871398398.db2.gz ZJRLUZKSBRJORP-UWVGGRQHSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@H]1C[N@H+](Cc2cc(Br)c(Br)o2)CCC[C@H]1C[NH3+] ZINC001206005934 871398376 /nfs/dbraw/zinc/39/83/76/871398376.db2.gz ZJRLUZKSBRJORP-UWVGGRQHSA-N 2 1 380.124 3.611 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+](CCOC)CC1)Cc1cccc(Br)c1 ZINC000462105915 871602325 /nfs/dbraw/zinc/60/23/25/871602325.db2.gz QVKPOCJBKSOCEK-MRXNPFEDSA-N 2 1 383.374 3.718 20 0 GHADMP [NH3+]C1(c2ccc(N[C@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2)CC1 ZINC001169517542 871624602 /nfs/dbraw/zinc/62/46/02/871624602.db2.gz GLJGBCOEHXBFPR-NQIIRXRSSA-N 2 1 379.504 3.506 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001169669708 871739531 /nfs/dbraw/zinc/73/95/31/871739531.db2.gz VEEVMMYHJFYUSM-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001169669708 871739536 /nfs/dbraw/zinc/73/95/36/871739536.db2.gz VEEVMMYHJFYUSM-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001169695436 871765058 /nfs/dbraw/zinc/76/50/58/871765058.db2.gz YLBIBKFLPYVPSD-HXUWFJFHSA-N 2 1 389.540 3.579 20 0 GHADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169747145 871818596 /nfs/dbraw/zinc/81/85/96/871818596.db2.gz VJIYYDXRHJSQSV-OAQYLSRUSA-N 2 1 397.950 3.895 20 0 GHADMP CN(C(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000092821721 871849568 /nfs/dbraw/zinc/84/95/68/871849568.db2.gz HSTGTZFZTLSQJD-UHFFFAOYSA-N 2 1 380.536 3.673 20 0 GHADMP CCN(C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000092821444 871849689 /nfs/dbraw/zinc/84/96/89/871849689.db2.gz CUGNCWMARHCPQH-UHFFFAOYSA-N 2 1 380.536 3.673 20 0 GHADMP COC(=O)c1cc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)oc1C ZINC000122428870 882553377 /nfs/dbraw/zinc/55/33/77/882553377.db2.gz SDOISBACSCGXTI-UHFFFAOYSA-N 2 1 399.535 3.537 20 0 GHADMP COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)oc1C ZINC000122428870 882553385 /nfs/dbraw/zinc/55/33/85/882553385.db2.gz SDOISBACSCGXTI-UHFFFAOYSA-N 2 1 399.535 3.537 20 0 GHADMP COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001194701342 871871813 /nfs/dbraw/zinc/87/18/13/871871813.db2.gz OAEHFZFWCWDYMI-VWLOTQADSA-N 2 1 392.543 3.989 20 0 GHADMP CSc1cccc([C@@H]([NH2+]CCOCC[NH+](C)C)c2cc(F)ccc2F)c1 ZINC000447598092 871914993 /nfs/dbraw/zinc/91/49/93/871914993.db2.gz HLFDNRSUDHFKHP-HXUWFJFHSA-N 2 1 380.504 3.944 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@H](C)C1 ZINC000093638788 872305326 /nfs/dbraw/zinc/30/53/26/872305326.db2.gz ZGSMWFUOJKSBON-WIYYLYMNSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@H](C)C1 ZINC000093638788 872305345 /nfs/dbraw/zinc/30/53/45/872305345.db2.gz ZGSMWFUOJKSBON-WIYYLYMNSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@H](C)C1 ZINC000093638788 872305366 /nfs/dbraw/zinc/30/53/66/872305366.db2.gz ZGSMWFUOJKSBON-WIYYLYMNSA-N 2 1 383.536 3.831 20 0 GHADMP Cc1c(F)c(C(F)(F)F)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000526949987 872321242 /nfs/dbraw/zinc/32/12/42/872321242.db2.gz CTRCVCNXKRJPNC-UHFFFAOYSA-N 2 1 396.388 3.552 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C3CCCC3)C2)CC1 ZINC001195307497 872328391 /nfs/dbraw/zinc/32/83/91/872328391.db2.gz ROCLCXCQLFROSB-QFIPXVFZSA-N 2 1 383.580 3.588 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000552283948 872345989 /nfs/dbraw/zinc/34/59/89/872345989.db2.gz NREQEGRBJBQQHC-IRFCIJBXSA-N 2 1 375.520 3.829 20 0 GHADMP CCOc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(Cl)c1OC ZINC000093734897 872371051 /nfs/dbraw/zinc/37/10/51/872371051.db2.gz QVYMMFBLPTVSNV-UHFFFAOYSA-N 2 1 396.959 3.824 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2C)cc1 ZINC000463738404 872454474 /nfs/dbraw/zinc/45/44/74/872454474.db2.gz HVKMCHQVAFMMGC-UHFFFAOYSA-N 2 1 382.552 3.521 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000527066410 872548410 /nfs/dbraw/zinc/54/84/10/872548410.db2.gz NQBBUILPMZUJSZ-OEMFJLHTSA-N 2 1 394.563 3.607 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CCS2 ZINC000527214668 872820564 /nfs/dbraw/zinc/82/05/64/872820564.db2.gz CNRINNASOWSEOR-VXKWHMMOSA-N 2 1 397.588 3.810 20 0 GHADMP COc1ccc2c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000775691372 872964095 /nfs/dbraw/zinc/96/40/95/872964095.db2.gz UGPZISIPMDGUSV-JTSKRJEESA-N 2 1 392.499 3.802 20 0 GHADMP COc1ccc2c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)oc2c1 ZINC000775691372 872964106 /nfs/dbraw/zinc/96/41/06/872964106.db2.gz UGPZISIPMDGUSV-JTSKRJEESA-N 2 1 392.499 3.802 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000478415471 872968678 /nfs/dbraw/zinc/96/86/78/872968678.db2.gz MUZWADPPADWZOP-MOPGFXCFSA-N 2 1 392.975 3.506 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000478415471 872968683 /nfs/dbraw/zinc/96/86/83/872968683.db2.gz MUZWADPPADWZOP-MOPGFXCFSA-N 2 1 392.975 3.506 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000448216245 873023047 /nfs/dbraw/zinc/02/30/47/873023047.db2.gz ATNFEZLVBALMOW-QUCCMNQESA-N 2 1 394.629 3.798 20 0 GHADMP CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001196534815 873187111 /nfs/dbraw/zinc/18/71/11/873187111.db2.gz FHIKEASVEQNJOX-HXUWFJFHSA-N 2 1 396.535 3.562 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@H]21 ZINC000768495283 873353823 /nfs/dbraw/zinc/35/38/23/873353823.db2.gz PFIPGZMDTZXYSG-FCHUYYIVSA-N 2 1 390.531 3.989 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000527633696 873384582 /nfs/dbraw/zinc/38/45/82/873384582.db2.gz QHMTURCKNUDPHP-UHFFFAOYSA-N 2 1 381.343 3.617 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001196782127 873386476 /nfs/dbraw/zinc/38/64/76/873386476.db2.gz NKLAMKVNVZZESW-URVUXULASA-N 2 1 383.580 3.531 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001196782127 873386486 /nfs/dbraw/zinc/38/64/86/873386486.db2.gz NKLAMKVNVZZESW-URVUXULASA-N 2 1 383.580 3.531 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001196782127 873386496 /nfs/dbraw/zinc/38/64/96/873386496.db2.gz NKLAMKVNVZZESW-URVUXULASA-N 2 1 383.580 3.531 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H]3c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001196782127 873386505 /nfs/dbraw/zinc/38/65/05/873386505.db2.gz NKLAMKVNVZZESW-URVUXULASA-N 2 1 383.580 3.531 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)CC1 ZINC000858013570 882721924 /nfs/dbraw/zinc/72/19/24/882721924.db2.gz SZXKXISNAXNIGS-JOCHJYFZSA-N 2 1 394.563 3.575 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527758735 873531628 /nfs/dbraw/zinc/53/16/28/873531628.db2.gz PKMRMBWMYGQNAE-PGRDOPGGSA-N 2 1 384.568 3.528 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000527761981 873538083 /nfs/dbraw/zinc/53/80/83/873538083.db2.gz JHTGRJVONWWGEJ-NFBKMPQASA-N 2 1 383.580 3.524 20 0 GHADMP COc1ccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)cc1 ZINC001197052998 873540601 /nfs/dbraw/zinc/54/06/01/873540601.db2.gz ZFLLFAHGPBGXKE-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2)cc1 ZINC001197052998 873540608 /nfs/dbraw/zinc/54/06/08/873540608.db2.gz ZFLLFAHGPBGXKE-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP COc1ccc(CN2CC[C@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000527774707 873586417 /nfs/dbraw/zinc/58/64/17/873586417.db2.gz QUEQBUDCHZSMQQ-QHCPKHFHSA-N 2 1 379.548 3.524 20 0 GHADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541457750 873644396 /nfs/dbraw/zinc/64/43/96/873644396.db2.gz NEHIYXAILDXJKD-IBGZPJMESA-N 2 1 398.378 3.948 20 0 GHADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000541457750 873644402 /nfs/dbraw/zinc/64/44/02/873644402.db2.gz NEHIYXAILDXJKD-IBGZPJMESA-N 2 1 398.378 3.948 20 0 GHADMP CC(C)C[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)CC1CC[NH+](C)CC1 ZINC001197194758 873644537 /nfs/dbraw/zinc/64/45/37/873644537.db2.gz VLDJKWAHKVCKAK-UHFFFAOYSA-N 2 1 392.544 3.674 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000541582088 873869864 /nfs/dbraw/zinc/86/98/64/873869864.db2.gz KCUFBTZILIOVOD-HTAPYJJXSA-N 2 1 383.561 3.694 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCCCSc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541601315 873922017 /nfs/dbraw/zinc/92/20/17/873922017.db2.gz YBIUHTIYIAEWDS-RTBURBONSA-N 2 1 389.609 3.528 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCCCSc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541601315 873922024 /nfs/dbraw/zinc/92/20/24/873922024.db2.gz YBIUHTIYIAEWDS-RTBURBONSA-N 2 1 389.609 3.528 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001168153130 882788921 /nfs/dbraw/zinc/78/89/21/882788921.db2.gz FQEOZBBQTJHDHI-OAHLLOKOSA-N 2 1 381.948 3.589 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000769466518 874090456 /nfs/dbraw/zinc/09/04/56/874090456.db2.gz LCNZBZDLTPWDFX-FQEVSTJZSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449047052 874414560 /nfs/dbraw/zinc/41/45/60/874414560.db2.gz MQCMIMCHCMWRER-MDASCCDHSA-N 2 1 375.513 3.633 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2ccccc2F)s1 ZINC000449047052 874414570 /nfs/dbraw/zinc/41/45/70/874414570.db2.gz MQCMIMCHCMWRER-MDASCCDHSA-N 2 1 375.513 3.633 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000449067101 874443527 /nfs/dbraw/zinc/44/35/27/874443527.db2.gz IFVQLTPNPHWSMF-UHFFFAOYSA-N 2 1 395.613 3.827 20 0 GHADMP CC(C)[C@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(C)CC1 ZINC000449078645 874462439 /nfs/dbraw/zinc/46/24/39/874462439.db2.gz MGXFJYYFHBMIDR-NQIIRXRSSA-N 2 1 380.598 3.540 20 0 GHADMP COc1cccc2c(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)cccc12 ZINC000449082986 874466467 /nfs/dbraw/zinc/46/64/67/874466467.db2.gz RNYBECOLOUXPNI-UHFFFAOYSA-N 2 1 389.543 3.886 20 0 GHADMP C[C@@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449326746 874708733 /nfs/dbraw/zinc/70/87/33/874708733.db2.gz YUMDFBYURQOMCA-OKZBNKHCSA-N 2 1 396.522 3.659 20 0 GHADMP C[C@@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449326746 874708739 /nfs/dbraw/zinc/70/87/39/874708739.db2.gz YUMDFBYURQOMCA-OKZBNKHCSA-N 2 1 396.522 3.659 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000449320800 874727058 /nfs/dbraw/zinc/72/70/58/874727058.db2.gz PUHVYMBIMUDCDA-UZTOHYMASA-N 2 1 384.589 3.750 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)CC1(C)C ZINC000858121061 882861354 /nfs/dbraw/zinc/86/13/54/882861354.db2.gz SVGPUFGNZOXHLN-LJQANCHMSA-N 2 1 375.557 3.716 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000449399366 874815147 /nfs/dbraw/zinc/81/51/47/874815147.db2.gz AEWUMKNLENKBMS-UHFFFAOYSA-N 2 1 392.469 3.922 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]2CCCC[C@@H]12 ZINC000542046615 874815927 /nfs/dbraw/zinc/81/59/27/874815927.db2.gz ITUKEQGFBHIJOE-QMMLZNLJSA-N 2 1 387.593 3.684 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001129486928 882882763 /nfs/dbraw/zinc/88/27/63/882882763.db2.gz RCPLRTCJRHUIRJ-NFBKMPQASA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486928 882882778 /nfs/dbraw/zinc/88/27/78/882882778.db2.gz RCPLRTCJRHUIRJ-NFBKMPQASA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486928 882882804 /nfs/dbraw/zinc/88/28/04/882882804.db2.gz RCPLRTCJRHUIRJ-NFBKMPQASA-N 2 1 389.559 3.617 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152055 875043939 /nfs/dbraw/zinc/04/39/39/875043939.db2.gz DEKVCVKWXFUNGU-HXUWFJFHSA-N 2 1 394.401 3.834 20 0 GHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000465161427 875194691 /nfs/dbraw/zinc/19/46/91/875194691.db2.gz CHQUQQHVBBNEPW-NRFANRHFSA-N 2 1 386.584 3.814 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(Br)c1OC ZINC000105443861 875297067 /nfs/dbraw/zinc/29/70/67/875297067.db2.gz JFTFSAAMUQWLBB-ZDUSSCGKSA-N 2 1 396.329 3.787 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000303235441 875323329 /nfs/dbraw/zinc/32/33/29/875323329.db2.gz WZXKLAJCMVREIO-SFTDATJTSA-N 2 1 392.632 3.795 20 0 GHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000542351707 875440072 /nfs/dbraw/zinc/44/00/72/875440072.db2.gz AFKFTQXPLJGUMY-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542351707 875440077 /nfs/dbraw/zinc/44/00/77/875440077.db2.gz AFKFTQXPLJGUMY-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542351707 875440085 /nfs/dbraw/zinc/44/00/85/875440085.db2.gz AFKFTQXPLJGUMY-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnnn2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000491345784 875623046 /nfs/dbraw/zinc/62/30/46/875623046.db2.gz JKWAMEPERHISFU-NFBKMPQASA-N 2 1 389.547 3.717 20 0 GHADMP CCN(CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CCC(F)(F)F ZINC001201969960 875957901 /nfs/dbraw/zinc/95/79/01/875957901.db2.gz DGGLNGBDEQTFAY-UHFFFAOYSA-N 2 1 389.481 3.697 20 0 GHADMP Cc1c[nH+]cn1CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000529476651 876211601 /nfs/dbraw/zinc/21/16/01/876211601.db2.gz UWAFNWWQDDBMEF-HSZRJFAPSA-N 2 1 394.563 3.875 20 0 GHADMP Fc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000529532453 876270274 /nfs/dbraw/zinc/27/02/74/876270274.db2.gz JUDQPDNZDMXMNY-UHFFFAOYSA-N 2 1 390.506 3.833 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000450341594 876294676 /nfs/dbraw/zinc/29/46/76/876294676.db2.gz LFOSBYWROSEMLV-HDICACEKSA-N 2 1 376.516 3.610 20 0 GHADMP C[NH+](CCc1ccncc1)Cc1cc(C[N@@H+](C)CCc2ccncc2)ccc1F ZINC000450646931 876708631 /nfs/dbraw/zinc/70/86/31/876708631.db2.gz HXHLNYIPMDLPDY-UHFFFAOYSA-N 2 1 392.522 3.965 20 0 GHADMP C[NH+](CCc1ccncc1)Cc1ccc(F)c(C[N@H+](C)CCc2ccncc2)c1 ZINC000450646931 876708638 /nfs/dbraw/zinc/70/86/38/876708638.db2.gz HXHLNYIPMDLPDY-UHFFFAOYSA-N 2 1 392.522 3.965 20 0 GHADMP C[NH+](CCc1ccncc1)Cc1ccc(F)c(C[N@@H+](C)CCc2ccncc2)c1 ZINC000450646931 876708648 /nfs/dbraw/zinc/70/86/48/876708648.db2.gz HXHLNYIPMDLPDY-UHFFFAOYSA-N 2 1 392.522 3.965 20 0 GHADMP O[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cc(F)c(F)c(F)c1 ZINC000850421705 876903443 /nfs/dbraw/zinc/90/34/43/876903443.db2.gz XPSMKNPBXQCOQA-PXNSSMCTSA-N 2 1 390.449 3.924 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000850446641 876930299 /nfs/dbraw/zinc/93/02/99/876930299.db2.gz AWBDISDNJCHJHQ-GRTSPXDGSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816498 876971395 /nfs/dbraw/zinc/97/13/95/876971395.db2.gz KPZJNNOYVXCHJW-MSOLQXFVSA-N 2 1 398.576 3.841 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816498 876971412 /nfs/dbraw/zinc/97/14/12/876971412.db2.gz KPZJNNOYVXCHJW-MSOLQXFVSA-N 2 1 398.576 3.841 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850574696 877040335 /nfs/dbraw/zinc/04/03/35/877040335.db2.gz IKQXYBSJHRFTSW-SIKLNZKXSA-N 2 1 392.547 3.607 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC1 ZINC000850576866 877047352 /nfs/dbraw/zinc/04/73/52/877047352.db2.gz QHGHSPFODGGBCH-GCJKJVERSA-N 2 1 384.568 3.739 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000850580798 877054421 /nfs/dbraw/zinc/05/44/21/877054421.db2.gz REDPMTXEZQBCKF-VFNWGFHPSA-N 2 1 392.465 3.823 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)[C@H](C)C1 ZINC000136417755 877202858 /nfs/dbraw/zinc/20/28/58/877202858.db2.gz QGULAZIHQKKUGR-APWZRJJASA-N 2 1 383.374 3.718 20 0 GHADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCCC1 ZINC000174740125 877215135 /nfs/dbraw/zinc/21/51/35/877215135.db2.gz QUXJLYWEOWDJPU-HBFSDRIKSA-N 2 1 392.613 3.551 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000174948741 877356871 /nfs/dbraw/zinc/35/68/71/877356871.db2.gz WNVXSWDNEIVIRX-NRFANRHFSA-N 2 1 393.575 3.946 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000174948741 877356890 /nfs/dbraw/zinc/35/68/90/877356890.db2.gz WNVXSWDNEIVIRX-NRFANRHFSA-N 2 1 393.575 3.946 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000174948741 877356906 /nfs/dbraw/zinc/35/69/06/877356906.db2.gz WNVXSWDNEIVIRX-NRFANRHFSA-N 2 1 393.575 3.946 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666998345 877457205 /nfs/dbraw/zinc/45/72/05/877457205.db2.gz OQMZCQCSOLAHOH-CQSZACIVSA-N 2 1 383.330 3.621 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666998344 877457454 /nfs/dbraw/zinc/45/74/54/877457454.db2.gz OQMZCQCSOLAHOH-AWEZNQCLSA-N 2 1 383.330 3.621 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](CC)CC ZINC000551618506 877543696 /nfs/dbraw/zinc/54/36/96/877543696.db2.gz FOPGNEVNMGEBIU-ATZDWAIDSA-N 2 1 383.939 3.709 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC[C@@H]21 ZINC000137951794 877673372 /nfs/dbraw/zinc/67/33/72/877673372.db2.gz KEUQFKDMSKZQNN-PKTZIBPZSA-N 2 1 398.595 3.688 20 0 GHADMP Cc1noc(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000237621687 877701861 /nfs/dbraw/zinc/70/18/61/877701861.db2.gz MDOVPJRPEPLGHS-UHFFFAOYSA-N 2 1 390.531 3.903 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000615447485 877748760 /nfs/dbraw/zinc/74/87/60/877748760.db2.gz LDVLFRHGJYZJKA-OAQYLSRUSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000175700629 877855732 /nfs/dbraw/zinc/85/57/32/877855732.db2.gz XPEACDRAPAEHCX-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000175700629 877855746 /nfs/dbraw/zinc/85/57/46/877855746.db2.gz XPEACDRAPAEHCX-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000530513258 877986533 /nfs/dbraw/zinc/98/65/33/877986533.db2.gz XWMZFOKLSGBPMK-KRWDZBQOSA-N 2 1 375.476 3.540 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000615674381 878001431 /nfs/dbraw/zinc/00/14/31/878001431.db2.gz ZWFXKDVFFAETDU-UHFFFAOYSA-N 2 1 392.563 3.554 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176014230 878036954 /nfs/dbraw/zinc/03/69/54/878036954.db2.gz BHDYGUBHDNGZTL-UXHICEINSA-N 2 1 390.616 3.689 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084528 878056426 /nfs/dbraw/zinc/05/64/26/878056426.db2.gz BQVMQOOOVCKCCB-MOPGFXCFSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084528 878056437 /nfs/dbraw/zinc/05/64/37/878056437.db2.gz BQVMQOOOVCKCCB-MOPGFXCFSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084528 878056440 /nfs/dbraw/zinc/05/64/40/878056440.db2.gz BQVMQOOOVCKCCB-MOPGFXCFSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084528 878056447 /nfs/dbraw/zinc/05/64/47/878056447.db2.gz BQVMQOOOVCKCCB-MOPGFXCFSA-N 2 1 378.582 3.886 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)[NH+](C)C ZINC000788519933 878124912 /nfs/dbraw/zinc/12/49/12/878124912.db2.gz OPPVVTJXULOFMU-FPOVZHCZSA-N 2 1 375.557 3.996 20 0 GHADMP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000537706965 878154884 /nfs/dbraw/zinc/15/48/84/878154884.db2.gz YYWAAZNXVPPCKU-LJQANCHMSA-N 2 1 377.532 3.710 20 0 GHADMP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000537706965 878154898 /nfs/dbraw/zinc/15/48/98/878154898.db2.gz YYWAAZNXVPPCKU-LJQANCHMSA-N 2 1 377.532 3.710 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176375255 878235158 /nfs/dbraw/zinc/23/51/58/878235158.db2.gz WSIMOKJINJEFOC-FCHUYYIVSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176375255 878235174 /nfs/dbraw/zinc/23/51/74/878235174.db2.gz WSIMOKJINJEFOC-FCHUYYIVSA-N 2 1 387.543 3.657 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCCCC[NH+](C)C ZINC000746756148 878236463 /nfs/dbraw/zinc/23/64/63/878236463.db2.gz ICXJMDGPMFJHAI-OAQYLSRUSA-N 2 1 388.600 3.805 20 0 GHADMP C[C@]12CC[N@H+](CCC[NH+]3CCCCC3)C[C@H]1C2(Br)Br ZINC000852335493 878257306 /nfs/dbraw/zinc/25/73/06/878257306.db2.gz IATZINLWNWGIJQ-KGLIPLIRSA-N 2 1 394.195 3.690 20 0 GHADMP C[C@]12CC[N@@H+](CCC[NH+]3CCCCC3)C[C@H]1C2(Br)Br ZINC000852335493 878257322 /nfs/dbraw/zinc/25/73/22/878257322.db2.gz IATZINLWNWGIJQ-KGLIPLIRSA-N 2 1 394.195 3.690 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245654223 878294298 /nfs/dbraw/zinc/29/42/98/878294298.db2.gz DEGKCDHCQHRCJR-KHUIQGCPSA-N 2 1 380.532 3.904 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000537776696 878313214 /nfs/dbraw/zinc/31/32/14/878313214.db2.gz JTOQZAHBJSVOMU-IBGZPJMESA-N 2 1 393.019 3.549 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)(C)C ZINC000176832949 878431412 /nfs/dbraw/zinc/43/14/12/878431412.db2.gz IPRMSRVOOSDYNW-NEWSRXKRSA-N 2 1 394.629 3.797 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000537960609 878592996 /nfs/dbraw/zinc/59/29/96/878592996.db2.gz BMSPQOPDVXLPSY-KNQAVFIVSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000537960609 878593012 /nfs/dbraw/zinc/59/30/12/878593012.db2.gz BMSPQOPDVXLPSY-KNQAVFIVSA-N 2 1 380.532 3.891 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@@H](C)C1 ZINC000245810601 878620448 /nfs/dbraw/zinc/62/04/48/878620448.db2.gz ZGSMWFUOJKSBON-GHTZIAJQSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@@H](C)C1 ZINC000245810601 878620453 /nfs/dbraw/zinc/62/04/53/878620453.db2.gz ZGSMWFUOJKSBON-GHTZIAJQSA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@@H](C)C1 ZINC000245810601 878620468 /nfs/dbraw/zinc/62/04/68/878620468.db2.gz ZGSMWFUOJKSBON-GHTZIAJQSA-N 2 1 383.536 3.831 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C=C2CC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000852870456 878638721 /nfs/dbraw/zinc/63/87/21/878638721.db2.gz CNNCQXZFGWFWMN-XLIONFOSSA-N 2 1 395.469 3.514 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCc4cc(F)ccc4C3)CC2)c1 ZINC001168448083 878693223 /nfs/dbraw/zinc/69/32/23/878693223.db2.gz ZGRWFRPNGJJSNI-QHCPKHFHSA-N 2 1 396.506 3.724 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000177400254 878695255 /nfs/dbraw/zinc/69/52/55/878695255.db2.gz KCOHGMRHONNQFH-LJQANCHMSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000246026299 878868227 /nfs/dbraw/zinc/86/82/27/878868227.db2.gz WYECTCZGEWWKQC-SQGPQFPESA-N 2 1 376.516 3.909 20 0 GHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccco1 ZINC000461010023 878959882 /nfs/dbraw/zinc/95/98/82/878959882.db2.gz XZPDXBATZYLPDZ-APWZRJJASA-N 2 1 399.539 3.512 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094750 878964839 /nfs/dbraw/zinc/96/48/39/878964839.db2.gz IVZWZICTCHWKIH-SQJMNOBHSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094750 878964852 /nfs/dbraw/zinc/96/48/52/878964852.db2.gz IVZWZICTCHWKIH-SQJMNOBHSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094750 878964884 /nfs/dbraw/zinc/96/48/84/878964884.db2.gz IVZWZICTCHWKIH-SQJMNOBHSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094750 878964894 /nfs/dbraw/zinc/96/48/94/878964894.db2.gz IVZWZICTCHWKIH-SQJMNOBHSA-N 2 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094750 878964903 /nfs/dbraw/zinc/96/49/03/878964903.db2.gz IVZWZICTCHWKIH-SQJMNOBHSA-N 2 1 396.623 3.666 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)c1cccs1 ZINC000246117146 879009361 /nfs/dbraw/zinc/00/93/61/879009361.db2.gz YEUFCSLJGNZZIN-ZWKOTPCHSA-N 2 1 377.598 3.902 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1cccs1 ZINC000246117146 879009377 /nfs/dbraw/zinc/00/93/77/879009377.db2.gz YEUFCSLJGNZZIN-ZWKOTPCHSA-N 2 1 377.598 3.902 20 0 GHADMP O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Br)s1)C[NH+]1CCCC1 ZINC000238066643 879131018 /nfs/dbraw/zinc/13/10/18/879131018.db2.gz KNGCTAHSBVTDLF-AWEZNQCLSA-N 2 1 395.366 3.724 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000538267953 879153223 /nfs/dbraw/zinc/15/32/23/879153223.db2.gz WKXKMDCDBWMION-INIZCTEOSA-N 2 1 378.476 3.869 20 0 GHADMP CCc1ccc([C@H](CO)[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000538306959 879226699 /nfs/dbraw/zinc/22/66/99/879226699.db2.gz JLBLENQVZHZLJP-VXKWHMMOSA-N 2 1 380.532 3.860 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000643080936 912452075 /nfs/dbraw/zinc/45/20/75/912452075.db2.gz MYNPYTRPBWRXSC-URXFXBBRSA-N 2 1 393.531 3.510 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246339323 879423398 /nfs/dbraw/zinc/42/33/98/879423398.db2.gz ISZDQHSYACMODD-FSSWDIPSSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246339323 879423408 /nfs/dbraw/zinc/42/34/08/879423408.db2.gz ISZDQHSYACMODD-FSSWDIPSSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246339323 879423421 /nfs/dbraw/zinc/42/34/21/879423421.db2.gz ISZDQHSYACMODD-FSSWDIPSSA-N 2 1 392.632 3.937 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000246344995 879434496 /nfs/dbraw/zinc/43/44/96/879434496.db2.gz FEAXZMCZLRCRFP-RTBURBONSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)s1 ZINC000246366360 879468787 /nfs/dbraw/zinc/46/87/87/879468787.db2.gz IXNMDXMIJKYECO-AEGPPILISA-N 2 1 387.387 3.929 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000455916848 879548318 /nfs/dbraw/zinc/54/83/18/879548318.db2.gz KPLMHKWPMXOVIT-HXOBKFHXSA-N 2 1 392.547 3.804 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000455916850 879548599 /nfs/dbraw/zinc/54/85/99/879548599.db2.gz KPLMHKWPMXOVIT-UZUQRXQVSA-N 2 1 392.547 3.804 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(F)c3SC)CC2)CC1 ZINC000617274667 879558572 /nfs/dbraw/zinc/55/85/72/879558572.db2.gz FDWZMAZIYQZHDQ-UHFFFAOYSA-N 2 1 379.545 3.682 20 0 GHADMP CC[C@@H]([NH2+]C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000854146768 879580803 /nfs/dbraw/zinc/58/08/03/879580803.db2.gz FRYVOOASSXTKQN-OAQYLSRUSA-N 2 1 392.503 3.906 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246480341 879603113 /nfs/dbraw/zinc/60/31/13/879603113.db2.gz GMAFYYWVPHKTHB-SFLYRZDNSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246480341 879603122 /nfs/dbraw/zinc/60/31/22/879603122.db2.gz GMAFYYWVPHKTHB-SFLYRZDNSA-N 2 1 380.532 3.528 20 0 GHADMP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246480341 879603130 /nfs/dbraw/zinc/60/31/30/879603130.db2.gz GMAFYYWVPHKTHB-SFLYRZDNSA-N 2 1 380.532 3.528 20 0 GHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790365030 879632753 /nfs/dbraw/zinc/63/27/53/879632753.db2.gz HEVDMNFJYUYWMK-JTHBVZDNSA-N 2 1 385.552 3.512 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494000024 879804702 /nfs/dbraw/zinc/80/47/02/879804702.db2.gz NWZWAQMBZONCLL-XXBNENTESA-N 2 1 377.532 3.675 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000246833928 879820873 /nfs/dbraw/zinc/82/08/73/879820873.db2.gz KFEMFOXWVSTKNY-XZOQPEGZSA-N 2 1 391.559 3.698 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000246833928 879820886 /nfs/dbraw/zinc/82/08/86/879820886.db2.gz KFEMFOXWVSTKNY-XZOQPEGZSA-N 2 1 391.559 3.698 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000246833928 879820902 /nfs/dbraw/zinc/82/09/02/879820902.db2.gz KFEMFOXWVSTKNY-XZOQPEGZSA-N 2 1 391.559 3.698 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246859496 879831843 /nfs/dbraw/zinc/83/18/43/879831843.db2.gz PNGDLSDACJVOJR-AHRSYUTCSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246859496 879831853 /nfs/dbraw/zinc/83/18/53/879831853.db2.gz PNGDLSDACJVOJR-AHRSYUTCSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246859496 879831863 /nfs/dbraw/zinc/83/18/63/879831863.db2.gz PNGDLSDACJVOJR-AHRSYUTCSA-N 2 1 382.470 3.558 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000246868426 879834516 /nfs/dbraw/zinc/83/45/16/879834516.db2.gz CIPCNUYXBPUITQ-KRWDZBQOSA-N 2 1 398.414 3.603 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000246928864 879853096 /nfs/dbraw/zinc/85/30/96/879853096.db2.gz HBADJWBVMWXRBP-MDZRGWNJSA-N 2 1 380.374 3.595 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000247053613 879902960 /nfs/dbraw/zinc/90/29/60/879902960.db2.gz MHGAEDZIDHHZFE-QXAKKESOSA-N 2 1 378.582 3.926 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1Cl ZINC000247116330 879921352 /nfs/dbraw/zinc/92/13/52/879921352.db2.gz FFGFGJNGQKXLNX-FXAWDEMLSA-N 2 1 394.991 3.706 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000247122744 879923551 /nfs/dbraw/zinc/92/35/51/879923551.db2.gz YXDURSFXQHGNGG-VSKRKVRLSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000247122744 879923566 /nfs/dbraw/zinc/92/35/66/879923566.db2.gz YXDURSFXQHGNGG-VSKRKVRLSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000247122744 879923573 /nfs/dbraw/zinc/92/35/73/879923573.db2.gz YXDURSFXQHGNGG-VSKRKVRLSA-N 2 1 392.632 3.795 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000247381250 879985545 /nfs/dbraw/zinc/98/55/45/879985545.db2.gz UJCSIQHXPFZMKK-UXHICEINSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000247470750 880007705 /nfs/dbraw/zinc/00/77/05/880007705.db2.gz SCQDACBKBJNKKU-JJXTWPQTSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247470750 880007721 /nfs/dbraw/zinc/00/77/21/880007721.db2.gz SCQDACBKBJNKKU-JJXTWPQTSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247470750 880007730 /nfs/dbraw/zinc/00/77/30/880007730.db2.gz SCQDACBKBJNKKU-JJXTWPQTSA-N 2 1 398.595 3.876 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)CC1 ZINC000182860582 880030634 /nfs/dbraw/zinc/03/06/34/880030634.db2.gz GYZICEZBIZGWGY-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182860582 880030641 /nfs/dbraw/zinc/03/06/41/880030641.db2.gz GYZICEZBIZGWGY-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182860582 880030655 /nfs/dbraw/zinc/03/06/55/880030655.db2.gz GYZICEZBIZGWGY-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286058996 912551909 /nfs/dbraw/zinc/55/19/09/912551909.db2.gz KORSQIKJZRLUGH-FGZHOGPDSA-N 2 1 382.552 3.778 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286058996 912551935 /nfs/dbraw/zinc/55/19/35/912551935.db2.gz KORSQIKJZRLUGH-FGZHOGPDSA-N 2 1 382.552 3.778 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286058996 912551952 /nfs/dbraw/zinc/55/19/52/912551952.db2.gz KORSQIKJZRLUGH-FGZHOGPDSA-N 2 1 382.552 3.778 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)c2cccs2)CC1 ZINC000531676937 880307939 /nfs/dbraw/zinc/30/79/39/880307939.db2.gz UTFLRFPCIHQOJE-UXHICEINSA-N 2 1 387.618 3.657 20 0 GHADMP Cc1cc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)sc1Br ZINC000531697939 880323786 /nfs/dbraw/zinc/32/37/86/880323786.db2.gz VALCMBOKTRTVAG-SFHVURJKSA-N 2 1 395.366 3.546 20 0 GHADMP Cc1cc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)sc1Br ZINC000531697938 880324062 /nfs/dbraw/zinc/32/40/62/880324062.db2.gz VALCMBOKTRTVAG-GOSISDBHSA-N 2 1 395.366 3.546 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000184670069 880358884 /nfs/dbraw/zinc/35/88/84/880358884.db2.gz QSGFSDYWELTLMS-QGZVFWFLSA-N 2 1 397.485 3.659 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453055958 880406249 /nfs/dbraw/zinc/40/62/49/880406249.db2.gz BWMUJNCKRUNWFM-MHTWAQMVSA-N 2 1 395.513 3.903 20 0 GHADMP c1cnn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453083204 880439218 /nfs/dbraw/zinc/43/92/18/880439218.db2.gz MYXUYDPNUUGZPH-RJGXRXQPSA-N 2 1 387.531 3.800 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453095847 880461246 /nfs/dbraw/zinc/46/12/46/880461246.db2.gz VCPXAQNLOHAUME-ZLNRFVROSA-N 2 1 383.580 3.666 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453123369 880501022 /nfs/dbraw/zinc/50/10/22/880501022.db2.gz NJESXWAOZIVCGJ-YSFPZDHXSA-N 2 1 383.580 3.666 20 0 GHADMP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000776807826 880507244 /nfs/dbraw/zinc/50/72/44/880507244.db2.gz YPFZGVYZYXFYEH-HYBUGGRVSA-N 2 1 393.579 3.546 20 0 GHADMP C[C@@H]1CCC[C@@](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)(N(C)C)C1 ZINC000531851518 880606096 /nfs/dbraw/zinc/60/60/96/880606096.db2.gz LZWVNMKHHCDGPV-HYBUGGRVSA-N 2 1 386.628 3.817 20 0 GHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc2n1CCS2 ZINC000453207820 880619036 /nfs/dbraw/zinc/61/90/36/880619036.db2.gz ZWHIRECDTZUCRF-QHAWAJNXSA-N 2 1 382.577 3.564 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC12CCOCC2 ZINC000453218264 880635241 /nfs/dbraw/zinc/63/52/41/880635241.db2.gz PMJLJNQUIOWDBT-QJUOVVKFSA-N 2 1 398.591 3.587 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453403767 880871048 /nfs/dbraw/zinc/87/10/48/880871048.db2.gz OUQIVALUBDLFLA-AWEZNQCLSA-N 2 1 382.346 3.630 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000186878868 881011252 /nfs/dbraw/zinc/01/12/52/881011252.db2.gz MXMYOZLGXNSYAV-FQEVSTJZSA-N 2 1 383.502 3.903 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000186878868 881011268 /nfs/dbraw/zinc/01/12/68/881011268.db2.gz MXMYOZLGXNSYAV-FQEVSTJZSA-N 2 1 383.502 3.903 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000537622335 881099128 /nfs/dbraw/zinc/09/91/28/881099128.db2.gz WNFMEUNLIUAUFF-RDPSFJRHSA-N 2 1 393.575 3.820 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000537622335 881099146 /nfs/dbraw/zinc/09/91/46/881099146.db2.gz WNFMEUNLIUAUFF-RDPSFJRHSA-N 2 1 393.575 3.820 20 0 GHADMP CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000453612168 881149835 /nfs/dbraw/zinc/14/98/35/881149835.db2.gz AFNHNTZOBGHJCD-UHFFFAOYSA-N 2 1 383.584 3.609 20 0 GHADMP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)[nH]c1cc[nH+]cc12 ZINC001170167572 881152423 /nfs/dbraw/zinc/15/24/23/881152423.db2.gz OBTZKXUPEUFGSB-UHFFFAOYSA-N 2 1 386.459 3.584 20 0 GHADMP Oc1cccc(-c2ccc([C@H]3C[C@@H]3Nc3[nH+]cccc3N3CC[NH2+]CC3)cc2)c1 ZINC001170252336 881301327 /nfs/dbraw/zinc/30/13/27/881301327.db2.gz TXXNZFAVRFEXBY-YADHBBJMSA-N 2 1 386.499 3.832 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000120069973 881309787 /nfs/dbraw/zinc/30/97/87/881309787.db2.gz AETWLZDPLJOPNO-IBGZPJMESA-N 2 1 397.567 3.798 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000120069973 881309831 /nfs/dbraw/zinc/30/98/31/881309831.db2.gz AETWLZDPLJOPNO-IBGZPJMESA-N 2 1 397.567 3.798 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000123183744 883157168 /nfs/dbraw/zinc/15/71/68/883157168.db2.gz GSUKAOMAWXIPPL-PGRDOPGGSA-N 2 1 395.551 3.902 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457495 912711097 /nfs/dbraw/zinc/71/10/97/912711097.db2.gz HAQDFPNNDUDWHL-NMVJMZGASA-N 3 1 391.559 3.744 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457495 912711106 /nfs/dbraw/zinc/71/11/06/912711106.db2.gz HAQDFPNNDUDWHL-NMVJMZGASA-N 2 1 391.559 3.744 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457495 912711117 /nfs/dbraw/zinc/71/11/17/912711117.db2.gz HAQDFPNNDUDWHL-NMVJMZGASA-N 2 1 391.559 3.744 20 0 GHADMP c1ccc(CN2CCC[C@H](C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000643457495 912711124 /nfs/dbraw/zinc/71/11/24/912711124.db2.gz HAQDFPNNDUDWHL-NMVJMZGASA-N 2 1 391.559 3.744 20 0 GHADMP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476981185 883498924 /nfs/dbraw/zinc/49/89/24/883498924.db2.gz GXHMEWURCLABEF-NHCUHLMSSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000476983298 883500630 /nfs/dbraw/zinc/50/06/30/883500630.db2.gz KSURCKOAMONVST-UGKGYDQZSA-N 2 1 392.559 3.680 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)c1ccc(F)cc1 ZINC000476978809 883518365 /nfs/dbraw/zinc/51/83/65/883518365.db2.gz CPTVWLPQDNGBFP-RTBURBONSA-N 2 1 389.559 3.979 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000477026186 883564875 /nfs/dbraw/zinc/56/48/75/883564875.db2.gz VFXWTWHKPRSVQL-RHSMWYFYSA-N 2 1 385.474 3.563 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000194027378 883640531 /nfs/dbraw/zinc/64/05/31/883640531.db2.gz ZSKQEVRVZYQGSI-UHFFFAOYSA-N 2 1 394.401 3.558 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000186463639 883648459 /nfs/dbraw/zinc/64/84/59/883648459.db2.gz RFRKKYWVEGQKMI-ZRGWGRIASA-N 2 1 397.485 3.628 20 0 GHADMP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215359 883669515 /nfs/dbraw/zinc/66/95/15/883669515.db2.gz DNDZQTCQTJPXRJ-UHFFFAOYSA-N 2 1 391.918 3.631 20 0 GHADMP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215359 883669524 /nfs/dbraw/zinc/66/95/24/883669524.db2.gz DNDZQTCQTJPXRJ-UHFFFAOYSA-N 2 1 391.918 3.631 20 0 GHADMP C[C@@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000465436402 883833787 /nfs/dbraw/zinc/83/37/87/883833787.db2.gz DQEVWESRTTYCQG-GOSISDBHSA-N 2 1 386.584 3.602 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000130027162 884077206 /nfs/dbraw/zinc/07/72/06/884077206.db2.gz UGWUINDBBYFCKB-AZUAARDMSA-N 2 1 397.567 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000130027162 884077225 /nfs/dbraw/zinc/07/72/25/884077225.db2.gz UGWUINDBBYFCKB-AZUAARDMSA-N 2 1 397.567 3.909 20 0 GHADMP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000227602886 884152916 /nfs/dbraw/zinc/15/29/16/884152916.db2.gz FOSGMOLOGKFPKZ-JTHBVZDNSA-N 2 1 395.522 3.553 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000227602886 884152920 /nfs/dbraw/zinc/15/29/20/884152920.db2.gz FOSGMOLOGKFPKZ-JTHBVZDNSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000227602886 884152924 /nfs/dbraw/zinc/15/29/24/884152924.db2.gz FOSGMOLOGKFPKZ-JTHBVZDNSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000227602886 884152929 /nfs/dbraw/zinc/15/29/29/884152929.db2.gz FOSGMOLOGKFPKZ-JTHBVZDNSA-N 2 1 395.522 3.553 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000806163801 884419075 /nfs/dbraw/zinc/41/90/75/884419075.db2.gz JOZAOWGRCXNBBE-CVDCTZTESA-N 2 1 375.520 3.830 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000495193599 884770597 /nfs/dbraw/zinc/77/05/97/884770597.db2.gz QGEHPZVXZGSSDK-CTNGQTDRSA-N 2 1 385.577 3.550 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000495193599 884770612 /nfs/dbraw/zinc/77/06/12/884770612.db2.gz QGEHPZVXZGSSDK-CTNGQTDRSA-N 2 1 385.577 3.550 20 0 GHADMP COc1c(C)cnc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1C ZINC000729606954 884807197 /nfs/dbraw/zinc/80/71/97/884807197.db2.gz VTZIWUCAIQVRSO-UHFFFAOYSA-N 2 1 396.535 3.513 20 0 GHADMP COc1c(C)cnc(CNC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)c1C ZINC000729606954 884807212 /nfs/dbraw/zinc/80/72/12/884807212.db2.gz VTZIWUCAIQVRSO-UHFFFAOYSA-N 2 1 396.535 3.513 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000498566782 884853670 /nfs/dbraw/zinc/85/36/70/884853670.db2.gz NHVODOVHSAYYSL-HSZRJFAPSA-N 2 1 379.548 3.808 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000498566782 884853679 /nfs/dbraw/zinc/85/36/79/884853679.db2.gz NHVODOVHSAYYSL-HSZRJFAPSA-N 2 1 379.548 3.808 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498566782 884853698 /nfs/dbraw/zinc/85/36/98/884853698.db2.gz NHVODOVHSAYYSL-HSZRJFAPSA-N 2 1 379.548 3.808 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000130611582 884872046 /nfs/dbraw/zinc/87/20/46/884872046.db2.gz XQFHBJNZOLLVSK-JOCHJYFZSA-N 2 1 386.584 3.594 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000130675266 884987362 /nfs/dbraw/zinc/98/73/62/884987362.db2.gz WUUPPXGRQHFIDS-OAQYLSRUSA-N 2 1 398.576 3.660 20 0 GHADMP C[NH+](C)[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)c1ccccc1 ZINC000170860375 885005157 /nfs/dbraw/zinc/00/51/57/885005157.db2.gz XVVAGAAVSSFURD-QFIPXVFZSA-N 2 1 398.526 3.598 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107367775 885304789 /nfs/dbraw/zinc/30/47/89/885304789.db2.gz RXWPGHJBKISVQU-HDICACEKSA-N 2 1 399.501 3.575 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107367775 885304809 /nfs/dbraw/zinc/30/48/09/885304809.db2.gz RXWPGHJBKISVQU-HDICACEKSA-N 2 1 399.501 3.575 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000550605645 885482015 /nfs/dbraw/zinc/48/20/15/885482015.db2.gz RJGCKSBGFRPCLI-VXNXHJTFSA-N 2 1 397.538 3.624 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000550605645 885482024 /nfs/dbraw/zinc/48/20/24/885482024.db2.gz RJGCKSBGFRPCLI-VXNXHJTFSA-N 2 1 397.538 3.624 20 0 GHADMP Cc1csc(N2CCC([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000495374624 885565902 /nfs/dbraw/zinc/56/59/02/885565902.db2.gz RVYPUJWVUYEBBS-UYAOXDASSA-N 2 1 384.593 3.921 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444543 885793119 /nfs/dbraw/zinc/79/31/19/885793119.db2.gz JHKXCXFCUBNMKY-OFNKIYASSA-N 2 1 378.564 3.546 20 0 GHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000532494878 885861960 /nfs/dbraw/zinc/86/19/60/885861960.db2.gz VKAVZUJNHDZGSF-HPUBIQBYSA-N 2 1 376.488 3.786 20 0 GHADMP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000532494878 885861968 /nfs/dbraw/zinc/86/19/68/885861968.db2.gz VKAVZUJNHDZGSF-HPUBIQBYSA-N 2 1 376.488 3.786 20 0 GHADMP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852031 885938076 /nfs/dbraw/zinc/93/80/76/885938076.db2.gz SLNODNWINUAQIJ-FGZHOGPDSA-N 2 1 388.596 3.994 20 0 GHADMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498852031 885938088 /nfs/dbraw/zinc/93/80/88/885938088.db2.gz SLNODNWINUAQIJ-FGZHOGPDSA-N 2 1 388.596 3.994 20 0 GHADMP CCc1noc(C2CCC([NH2+]CC3([NH+]4CCC(OC)CC4)CCCC3)CC2)n1 ZINC000498927337 886122088 /nfs/dbraw/zinc/12/20/88/886122088.db2.gz GMYYICMUYHFRGC-UHFFFAOYSA-N 2 1 390.572 3.671 20 0 GHADMP Brc1cccc(C2CC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000762623029 886557434 /nfs/dbraw/zinc/55/74/34/886557434.db2.gz HQXIMVBEQJNAIE-RRWXTXHCSA-N 2 1 393.369 3.928 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccccc3C)CC2)cc1 ZINC001170560093 886717622 /nfs/dbraw/zinc/71/76/22/886717622.db2.gz QPPXAPZCUFOQIW-UHFFFAOYSA-N 2 1 393.575 3.863 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000237581179 886964860 /nfs/dbraw/zinc/96/48/60/886964860.db2.gz BIERVGAQXVFRJB-CQSZACIVSA-N 2 1 377.414 3.822 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]2C1 ZINC001184303625 913114745 /nfs/dbraw/zinc/11/47/45/913114745.db2.gz QVMUQMBJNZPGOX-YTFSRNRJSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000193676992 887239150 /nfs/dbraw/zinc/23/91/50/887239150.db2.gz IKIRMFBDHTUAOE-LJQANCHMSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132072151 887604556 /nfs/dbraw/zinc/60/45/56/887604556.db2.gz UMOZWXHYZDZYPQ-AUSIDOKSSA-N 2 1 379.548 3.873 20 0 GHADMP C[C@H](Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000809656463 887662567 /nfs/dbraw/zinc/66/25/67/887662567.db2.gz CXRLSNDKZUIMNK-TZYHBYERSA-N 2 1 395.547 3.773 20 0 GHADMP C[C@H](Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000809656463 887662574 /nfs/dbraw/zinc/66/25/74/887662574.db2.gz CXRLSNDKZUIMNK-TZYHBYERSA-N 2 1 395.547 3.773 20 0 GHADMP c1c(C[NH2+][C@@H]2CCCc3ccccc32)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000864630221 887896300 /nfs/dbraw/zinc/89/63/00/887896300.db2.gz JYFMUWBKAXHLOU-ISKFKSNPSA-N 2 1 387.531 3.892 20 0 GHADMP c1c(C[NH2+][C@@H]2CCCc3ccccc32)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864630221 887896306 /nfs/dbraw/zinc/89/63/06/887896306.db2.gz JYFMUWBKAXHLOU-ISKFKSNPSA-N 2 1 387.531 3.892 20 0 GHADMP C[NH+]1CCN(c2ccc(NCc3c(Cl)ccnc3F)c3c[nH+]ccc32)CC1 ZINC001184364950 913192698 /nfs/dbraw/zinc/19/26/98/913192698.db2.gz ZZQBWHDPCLOWMU-UHFFFAOYSA-N 2 1 385.874 3.786 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000809973211 888031531 /nfs/dbraw/zinc/03/15/31/888031531.db2.gz KSXOQOFQZVEHJP-JOCHJYFZSA-N 2 1 375.532 3.501 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001184411187 913209691 /nfs/dbraw/zinc/20/96/91/913209691.db2.gz UOBBCVAPLDKDFO-DENIHFKCSA-N 2 1 379.589 3.735 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000810261543 888325548 /nfs/dbraw/zinc/32/55/48/888325548.db2.gz FBEMTHSXBHORAB-VNTMZGSJSA-N 2 1 397.604 3.501 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000810261543 888325554 /nfs/dbraw/zinc/32/55/54/888325554.db2.gz FBEMTHSXBHORAB-VNTMZGSJSA-N 2 1 397.604 3.501 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000916004146 888622185 /nfs/dbraw/zinc/62/21/85/888622185.db2.gz PCXZDBOYLBBWEQ-GHTZIAJQSA-N 2 1 388.625 3.509 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000916004146 888622192 /nfs/dbraw/zinc/62/21/92/888622192.db2.gz PCXZDBOYLBBWEQ-GHTZIAJQSA-N 2 1 388.625 3.509 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=S)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000916004146 888622194 /nfs/dbraw/zinc/62/21/94/888622194.db2.gz PCXZDBOYLBBWEQ-GHTZIAJQSA-N 2 1 388.625 3.509 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866306802 888822154 /nfs/dbraw/zinc/82/21/54/888822154.db2.gz MZKXDQICAWBUPG-WXFUMESZSA-N 2 1 379.548 3.723 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000123837050 889417734 /nfs/dbraw/zinc/41/77/34/889417734.db2.gz YEBOUKHFIUDGHE-XUVXKRRUSA-N 2 1 389.584 3.536 20 0 GHADMP c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c(C[NH+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000124794186 889764713 /nfs/dbraw/zinc/76/47/13/889764713.db2.gz WIHACMYFJZXUPP-PMACEKPBSA-N 2 1 384.564 3.688 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c(C)c1 ZINC000125035089 889853472 /nfs/dbraw/zinc/85/34/72/889853472.db2.gz KUJPQDGALAKZGY-FQEVSTJZSA-N 2 1 395.547 3.815 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125356440 889964875 /nfs/dbraw/zinc/96/48/75/889964875.db2.gz HLKZMNKNFQKMDW-GQIGUUNPSA-N 2 1 383.502 3.988 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455040337 890209770 /nfs/dbraw/zinc/20/97/70/890209770.db2.gz WCBPXTKLTCFBKK-XMMPIXPASA-N 2 1 398.595 3.560 20 0 GHADMP CC[NH+](CC)Cc1ccccc1Nc1[nH+]c2ccccc2n1CCNC(C)=O ZINC001211991807 890579728 /nfs/dbraw/zinc/57/97/28/890579728.db2.gz OFTZXKKKOZUQIJ-UHFFFAOYSA-N 2 1 379.508 3.758 20 0 GHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CCCO2 ZINC000126703743 890656968 /nfs/dbraw/zinc/65/69/68/890656968.db2.gz MILSDHMSWWQHIP-QHCPKHFHSA-N 2 1 379.548 3.746 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000916966446 890685298 /nfs/dbraw/zinc/68/52/98/890685298.db2.gz HAQSMDSZDJDPHA-FQEVSTJZSA-N 2 1 394.437 3.873 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000917039568 890762742 /nfs/dbraw/zinc/76/27/42/890762742.db2.gz IZZXWVMAPDOOHP-NRFANRHFSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000917039568 890762758 /nfs/dbraw/zinc/76/27/58/890762758.db2.gz IZZXWVMAPDOOHP-NRFANRHFSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000917039568 890762771 /nfs/dbraw/zinc/76/27/71/890762771.db2.gz IZZXWVMAPDOOHP-NRFANRHFSA-N 2 1 391.559 3.649 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000917039568 890762782 /nfs/dbraw/zinc/76/27/82/890762782.db2.gz IZZXWVMAPDOOHP-NRFANRHFSA-N 2 1 391.559 3.649 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126834356 890771205 /nfs/dbraw/zinc/77/12/05/890771205.db2.gz KOOGVQDBQCEKEB-CABCVRRESA-N 2 1 397.386 3.597 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126834356 890771212 /nfs/dbraw/zinc/77/12/12/890771212.db2.gz KOOGVQDBQCEKEB-CABCVRRESA-N 2 1 397.386 3.597 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558995 890842924 /nfs/dbraw/zinc/84/29/24/890842924.db2.gz YKQCREMLAQMOBS-SWLSCSKDSA-N 2 1 389.284 3.967 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C3CC3)C3CCC(C)CC3)cc2)CC1 ZINC000917065001 890926214 /nfs/dbraw/zinc/92/62/14/890926214.db2.gz PGAOSDPWBDFAFC-UHFFFAOYSA-N 2 1 398.595 3.810 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1F ZINC000246918635 891323183 /nfs/dbraw/zinc/32/31/83/891323183.db2.gz GOGMNJBVXDHCPS-VGSWGCGISA-N 2 1 393.510 3.715 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137064772 891389104 /nfs/dbraw/zinc/38/91/04/891389104.db2.gz OFHFRJIVURKRRN-IBGZPJMESA-N 2 1 399.535 3.728 20 0 GHADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)cs2)cs1 ZINC000128397589 891844916 /nfs/dbraw/zinc/84/49/16/891844916.db2.gz WAQQUJZHYQERKZ-OAHLLOKOSA-N 2 1 378.611 3.858 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000128409508 891864432 /nfs/dbraw/zinc/86/44/32/891864432.db2.gz PKXDDYFHBIJOGU-HZPDHXFCSA-N 2 1 388.383 3.766 20 0 GHADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000261991502 892189969 /nfs/dbraw/zinc/18/99/69/892189969.db2.gz MCTFTXYKPVSXBR-UHFFFAOYSA-N 2 1 377.838 3.619 20 0 GHADMP CC(C)C[C@H]1CC(=O)N(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000814225650 892417518 /nfs/dbraw/zinc/41/75/18/892417518.db2.gz WCGBVBGTNBYSQS-QFIPXVFZSA-N 2 1 383.580 3.827 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497851173 892552450 /nfs/dbraw/zinc/55/24/50/892552450.db2.gz FAWWXORVEGJQBF-QHCPKHFHSA-N 2 1 378.520 3.534 20 0 GHADMP C[C@@H](Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696253 892656251 /nfs/dbraw/zinc/65/62/51/892656251.db2.gz HBLRSWHUQRBFLJ-QPPBQGQZSA-N 2 1 393.575 3.884 20 0 GHADMP C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721216 892970277 /nfs/dbraw/zinc/97/02/77/892970277.db2.gz ULXSDISZBYXZNN-ZJSXRUAMSA-N 2 1 388.559 3.974 20 0 GHADMP C[C@H](NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722726 892986949 /nfs/dbraw/zinc/98/69/49/892986949.db2.gz UGMPFGNGSORXQB-RDPSFJRHSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722726 892986959 /nfs/dbraw/zinc/98/69/59/892986959.db2.gz UGMPFGNGSORXQB-RDPSFJRHSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722726 892986969 /nfs/dbraw/zinc/98/69/69/892986969.db2.gz UGMPFGNGSORXQB-RDPSFJRHSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC(=O)OC(C)(C)C ZINC000814640540 893028923 /nfs/dbraw/zinc/02/89/23/893028923.db2.gz KLAFSHCUYWYEBF-LJQANCHMSA-N 2 1 387.568 3.888 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1C(C)(F)F ZINC000455785636 893272054 /nfs/dbraw/zinc/27/20/54/893272054.db2.gz DULUBPYHIITLSX-MRXNPFEDSA-N 2 1 382.499 3.678 20 0 GHADMP c1csc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000563120992 893375865 /nfs/dbraw/zinc/37/58/65/893375865.db2.gz UXXNDSHOUOOHPH-HXUWFJFHSA-N 2 1 382.577 3.899 20 0 GHADMP c1csc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)CC2)n1 ZINC000563120992 893375879 /nfs/dbraw/zinc/37/58/79/893375879.db2.gz UXXNDSHOUOOHPH-HXUWFJFHSA-N 2 1 382.577 3.899 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000876906617 893381354 /nfs/dbraw/zinc/38/13/54/893381354.db2.gz DFEXZAALPOTQKA-SIKLNZKXSA-N 2 1 399.560 3.516 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000876906617 893381368 /nfs/dbraw/zinc/38/13/68/893381368.db2.gz DFEXZAALPOTQKA-SIKLNZKXSA-N 2 1 399.560 3.516 20 0 GHADMP c1ccc([C@@H]2C[C@H](NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000877031296 893446070 /nfs/dbraw/zinc/44/60/70/893446070.db2.gz PMVBMAUBCHNABB-NHTMILBNSA-N 2 1 383.580 3.588 20 0 GHADMP Cc1nc(F)ccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000815149287 893523218 /nfs/dbraw/zinc/52/32/18/893523218.db2.gz HLZGGABEYDXPJQ-NRFANRHFSA-N 2 1 383.511 3.548 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCCO1 ZINC000459504936 893645472 /nfs/dbraw/zinc/64/54/72/893645472.db2.gz JDLVYVQLDMTCLS-LJQANCHMSA-N 2 1 397.567 3.651 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000563367135 893670585 /nfs/dbraw/zinc/67/05/85/893670585.db2.gz CUCNQNCHGZXFSU-HXUWFJFHSA-N 2 1 377.960 3.856 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000556092479 893705421 /nfs/dbraw/zinc/70/54/21/893705421.db2.gz WSLYUOQQNIYIEE-FSSWDIPSSA-N 2 1 384.568 3.746 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000556092479 893705428 /nfs/dbraw/zinc/70/54/28/893705428.db2.gz WSLYUOQQNIYIEE-FSSWDIPSSA-N 2 1 384.568 3.746 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645759 893741649 /nfs/dbraw/zinc/74/16/49/893741649.db2.gz VUBUCALIOIWLAS-GOSISDBHSA-N 2 1 376.451 3.519 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645759 893741660 /nfs/dbraw/zinc/74/16/60/893741660.db2.gz VUBUCALIOIWLAS-GOSISDBHSA-N 2 1 376.451 3.519 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C(F)F)nc3)C2)ccn1 ZINC000877645759 893741667 /nfs/dbraw/zinc/74/16/67/893741667.db2.gz VUBUCALIOIWLAS-GOSISDBHSA-N 2 1 376.451 3.519 20 0 GHADMP C[NH+]1CCN(C2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)CC1 ZINC000877746749 893787916 /nfs/dbraw/zinc/78/79/16/893787916.db2.gz WLTCHAXNINBATR-UHFFFAOYSA-N 2 1 390.984 3.675 20 0 GHADMP Fc1ccc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2COc3ccccc3O2)cc1 ZINC000459555295 893800052 /nfs/dbraw/zinc/80/00/52/893800052.db2.gz HABIEQSBVZQEFN-URXFXBBRSA-N 2 1 396.506 3.793 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000556119519 893834625 /nfs/dbraw/zinc/83/46/25/893834625.db2.gz ZDSRISPWMYJLSP-ARFHVFGLSA-N 2 1 399.398 3.855 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000498291483 893934876 /nfs/dbraw/zinc/93/48/76/893934876.db2.gz HBCFWVYRSOGRPS-YADHBBJMSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000498291483 893934888 /nfs/dbraw/zinc/93/48/88/893934888.db2.gz HBCFWVYRSOGRPS-YADHBBJMSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000498291483 893934892 /nfs/dbraw/zinc/93/48/92/893934892.db2.gz HBCFWVYRSOGRPS-YADHBBJMSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563607866 893964261 /nfs/dbraw/zinc/96/42/61/893964261.db2.gz FDHJDJJFHCXCPC-QFIPXVFZSA-N 2 1 380.536 3.610 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1C ZINC000563645821 894012422 /nfs/dbraw/zinc/01/24/22/894012422.db2.gz MOEUQDXWQSDUNK-MRXNPFEDSA-N 2 1 385.581 3.800 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1C ZINC000563645821 894012444 /nfs/dbraw/zinc/01/24/44/894012444.db2.gz MOEUQDXWQSDUNK-MRXNPFEDSA-N 2 1 385.581 3.800 20 0 GHADMP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCC[NH+](C)C)c1 ZINC000563664690 894041361 /nfs/dbraw/zinc/04/13/61/894041361.db2.gz ALKJKUHKOCFHBN-RPWUZVMVSA-N 2 1 393.575 3.669 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878195359 894083453 /nfs/dbraw/zinc/08/34/53/894083453.db2.gz NCXGWAGRBVYLFL-QGZVFWFLSA-N 2 1 384.524 3.919 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878195359 894083467 /nfs/dbraw/zinc/08/34/67/894083467.db2.gz NCXGWAGRBVYLFL-QGZVFWFLSA-N 2 1 384.524 3.919 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459763303 894187406 /nfs/dbraw/zinc/18/74/06/894187406.db2.gz YORMUEBIGVAPFG-QHCPKHFHSA-N 2 1 383.580 3.983 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459763303 894187416 /nfs/dbraw/zinc/18/74/16/894187416.db2.gz YORMUEBIGVAPFG-QHCPKHFHSA-N 2 1 383.580 3.983 20 0 GHADMP CC(C)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000537016632 894195754 /nfs/dbraw/zinc/19/57/54/894195754.db2.gz QYZMMNIZRWMVJN-YRNRMSPPSA-N 2 1 375.513 3.710 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999106 894206068 /nfs/dbraw/zinc/20/60/68/894206068.db2.gz YEYCZHHMSBIRNW-JTHBVZDNSA-N 2 1 395.522 3.764 20 0 GHADMP O[C@@H]1CC[NH+](C[C@@H](C[N@@H+]2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722373 894536292 /nfs/dbraw/zinc/53/62/92/894536292.db2.gz FSTCTIAQLCPISK-KOUNCHBCSA-N 2 1 390.612 3.552 20 0 GHADMP O[C@@H]1CC[N@@H+](C[C@@H](C[NH+]2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722373 894536305 /nfs/dbraw/zinc/53/63/05/894536305.db2.gz FSTCTIAQLCPISK-KOUNCHBCSA-N 2 1 390.612 3.552 20 0 GHADMP O[C@@H]1CC[N@H+](C[C@@H](C[NH+]2CC[C@H](O)CC23CCC3)C2CCCC2)C2(CCC2)C1 ZINC000878722373 894536315 /nfs/dbraw/zinc/53/63/15/894536315.db2.gz FSTCTIAQLCPISK-KOUNCHBCSA-N 2 1 390.612 3.552 20 0 GHADMP CC[NH+]1CCC(Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)CC1 ZINC000537445054 894988355 /nfs/dbraw/zinc/98/83/55/894988355.db2.gz PRYSFTHERTVNNZ-MRXNPFEDSA-N 2 1 376.520 3.535 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCC[N@H+](C)Cc3ccccc3)ccc21 ZINC000455854908 895031388 /nfs/dbraw/zinc/03/13/88/895031388.db2.gz GSLJDANDZDOGGO-QFIPXVFZSA-N 2 1 380.536 3.879 20 0 GHADMP CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)(c2ccccc2)CC1 ZINC001135680827 895047475 /nfs/dbraw/zinc/04/74/75/895047475.db2.gz FDWOEMZGHQASIH-UHFFFAOYSA-N 2 1 398.576 3.513 20 0 GHADMP CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)(c2ccccc2)CC1 ZINC001135680827 895047492 /nfs/dbraw/zinc/04/74/92/895047492.db2.gz FDWOEMZGHQASIH-UHFFFAOYSA-N 2 1 398.576 3.513 20 0 GHADMP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000645493391 913933357 /nfs/dbraw/zinc/93/33/57/913933357.db2.gz ZLKVNDJBJQZFMZ-NZQKXSOJSA-N 2 1 386.580 3.710 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000564847881 895282357 /nfs/dbraw/zinc/28/23/57/895282357.db2.gz INLZQYPKOSHCBC-UXHICEINSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000564847881 895282368 /nfs/dbraw/zinc/28/23/68/895282368.db2.gz INLZQYPKOSHCBC-UXHICEINSA-N 2 1 388.577 3.606 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000565389710 895584168 /nfs/dbraw/zinc/58/41/68/895584168.db2.gz FTKOMPFPUCUQFN-PMACEKPBSA-N 2 1 392.609 3.510 20 0 GHADMP C[C@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000565509319 895686009 /nfs/dbraw/zinc/68/60/09/895686009.db2.gz WFOOHLIIUXLURD-GUDVDZBRSA-N 2 1 378.532 3.519 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](c4ccc(C)cc4)C[C@@H]3C)CC2)CC1 ZINC000565548547 895715726 /nfs/dbraw/zinc/71/57/26/895715726.db2.gz JBDXIUHWNUMGIR-NZQKXSOJSA-N 2 1 397.607 3.896 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1sccc1Br ZINC000565563798 895726017 /nfs/dbraw/zinc/72/60/17/895726017.db2.gz WIJPNVIYFOVUIB-LBPRGKRZSA-N 2 1 384.343 3.697 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001136012968 895909340 /nfs/dbraw/zinc/90/93/40/895909340.db2.gz AHAVTHHRQWPRJC-NRFANRHFSA-N 2 1 385.939 3.855 20 0 GHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897497 895952217 /nfs/dbraw/zinc/95/22/17/895952217.db2.gz RAKKXNRRERFPMP-ISKFKSNPSA-N 3 1 383.580 3.877 20 0 GHADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000796263887 914023795 /nfs/dbraw/zinc/02/37/95/914023795.db2.gz PKWQQZFXPQYDGC-MRXNPFEDSA-N 2 1 375.948 3.831 20 0 GHADMP CC(C)(C)OC(=O)C1([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCC([NH3+])CC1 ZINC001170898952 896108895 /nfs/dbraw/zinc/10/88/95/896108895.db2.gz ZVCLCAWVPCTHLL-ZGOJQLDESA-N 2 1 378.944 3.769 20 0 GHADMP [NH3+]CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000566210947 896173617 /nfs/dbraw/zinc/17/36/17/896173617.db2.gz AJOBVRMNUFMLDA-RBBKRZOGSA-N 2 1 383.511 3.634 20 0 GHADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1Cl ZINC000818945648 896286799 /nfs/dbraw/zinc/28/67/99/896286799.db2.gz NEACTYLAUPCQAU-KRWDZBQOSA-N 2 1 387.749 3.526 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000818959481 896298535 /nfs/dbraw/zinc/29/85/35/896298535.db2.gz LKHFXRWKGCLNIN-WZONZLPQSA-N 2 1 398.547 3.759 20 0 GHADMP COc1ccccc1C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000566705584 896509000 /nfs/dbraw/zinc/50/90/00/896509000.db2.gz LDYGKZRNFZJUSF-UHFFFAOYSA-N 2 1 383.536 3.812 20 0 GHADMP COc1ccccc1C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000566705584 896509010 /nfs/dbraw/zinc/50/90/10/896509010.db2.gz LDYGKZRNFZJUSF-UHFFFAOYSA-N 2 1 383.536 3.812 20 0 GHADMP [NH3+]C1(c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)CCCCC1 ZINC000566909256 896689296 /nfs/dbraw/zinc/68/92/96/896689296.db2.gz OMLNYEAOLLYRTR-MRXNPFEDSA-N 2 1 376.451 3.813 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000567251975 897007316 /nfs/dbraw/zinc/00/73/16/897007316.db2.gz PDCVLZNOUGHSFZ-IYBDPMFKSA-N 2 1 396.373 3.735 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2c3c(nn2C)CCSC3)CC1 ZINC000882890852 897079523 /nfs/dbraw/zinc/07/95/23/897079523.db2.gz IBXJIQAGSKSFRL-UHFFFAOYSA-N 2 1 384.593 3.731 20 0 GHADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCc1ccc(Cl)cc1Cl ZINC001276324002 914132084 /nfs/dbraw/zinc/13/20/84/914132084.db2.gz JHFGQBLBRMBCCJ-FQEVSTJZSA-N 2 1 398.378 3.555 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2c3c(nn2C)CCSC3)C[N@H+]1Cc1ccccc1 ZINC000883074874 897255417 /nfs/dbraw/zinc/25/54/17/897255417.db2.gz LRUNRSCEGBZXDA-IEBWSBKVSA-N 2 1 384.593 3.600 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000567675856 897329955 /nfs/dbraw/zinc/32/99/55/897329955.db2.gz MCDITFKSHHZAFW-HSZRJFAPSA-N 2 1 378.520 3.584 20 0 GHADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CCOCC2)cc1 ZINC000883189433 897354222 /nfs/dbraw/zinc/35/42/22/897354222.db2.gz HAGZUYNVTVIAIR-FCHUYYIVSA-N 2 1 376.516 3.526 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccc(F)cc3)C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000883196756 897360789 /nfs/dbraw/zinc/36/07/89/897360789.db2.gz VNWJYOJDQNAQSL-QHCPKHFHSA-N 2 1 398.526 3.959 20 0 GHADMP OC1(CC[NH2+]Cc2ncc(C(F)(F)F)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000883342653 897509733 /nfs/dbraw/zinc/50/97/33/897509733.db2.gz HDFZPWRUWMJTJS-UHFFFAOYSA-N 2 1 399.482 3.669 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820810419 897539781 /nfs/dbraw/zinc/53/97/81/897539781.db2.gz WOZNOVKPLBNEBC-OAQYLSRUSA-N 2 1 375.944 3.834 20 0 GHADMP C[N@H+]1CC[C@H](Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000568064107 897566002 /nfs/dbraw/zinc/56/60/02/897566002.db2.gz NFEDQAXEYPFSCY-BHIFYINESA-N 2 1 384.568 3.786 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3OC(F)F)CC2)CC1 ZINC000568201658 897669554 /nfs/dbraw/zinc/66/95/54/897669554.db2.gz VQEKFHPVAGYUTP-UHFFFAOYSA-N 2 1 399.457 3.562 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000132345644 897760654 /nfs/dbraw/zinc/76/06/54/897760654.db2.gz NBVFFLWYPYEEFQ-OFVILXPXSA-N 2 1 393.575 3.530 20 0 GHADMP CC[C@@H](Cc1ccccc1)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568777759 898094950 /nfs/dbraw/zinc/09/49/50/898094950.db2.gz GWBTVVKKFOAYBP-QFIPXVFZSA-N 2 1 385.596 3.662 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC001136541684 898213856 /nfs/dbraw/zinc/21/38/56/898213856.db2.gz KGBUHHOVDZWGJW-WMZHIEFXSA-N 2 1 381.564 3.818 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000568959815 898244154 /nfs/dbraw/zinc/24/41/54/898244154.db2.gz LOCLSHOQZLAHGS-SFTDATJTSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000568959815 898244164 /nfs/dbraw/zinc/24/41/64/898244164.db2.gz LOCLSHOQZLAHGS-SFTDATJTSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000568959815 898244178 /nfs/dbraw/zinc/24/41/78/898244178.db2.gz LOCLSHOQZLAHGS-SFTDATJTSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000568959815 898244191 /nfs/dbraw/zinc/24/41/91/898244191.db2.gz LOCLSHOQZLAHGS-SFTDATJTSA-N 2 1 396.531 3.666 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCCOc3ccccc3C(F)(F)F)C2)CC1 ZINC000107369329 898330333 /nfs/dbraw/zinc/33/03/33/898330333.db2.gz MKRLBIIRQZRLKV-GOSISDBHSA-N 2 1 399.501 3.576 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000569293869 898513924 /nfs/dbraw/zinc/51/39/24/898513924.db2.gz YQZKCKSIEMBRQY-LJQANCHMSA-N 2 1 382.504 3.816 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000569293869 898513932 /nfs/dbraw/zinc/51/39/32/898513932.db2.gz YQZKCKSIEMBRQY-LJQANCHMSA-N 2 1 382.504 3.816 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569867292 898995826 /nfs/dbraw/zinc/99/58/26/898995826.db2.gz DYUFFIRKRXQDIA-BHIFYINESA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569867292 898995834 /nfs/dbraw/zinc/99/58/34/898995834.db2.gz DYUFFIRKRXQDIA-BHIFYINESA-N 2 1 381.564 3.707 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000570159828 899164866 /nfs/dbraw/zinc/16/48/66/899164866.db2.gz PTCARBCMPDMVQP-YADARESESA-N 2 1 377.532 3.835 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000570590085 899413675 /nfs/dbraw/zinc/41/36/75/899413675.db2.gz KBAPABZXYQUKOO-DNVJHFABSA-N 2 1 383.580 3.573 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554010 899685094 /nfs/dbraw/zinc/68/50/94/899685094.db2.gz LPFARMLGTFZOAS-ZINXYGQCSA-N 2 1 388.519 3.713 20 0 GHADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646277649 914377055 /nfs/dbraw/zinc/37/70/55/914377055.db2.gz XYLMIWFHGQFEBM-OLMNPRSZSA-N 2 1 383.939 3.612 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136928681 899785882 /nfs/dbraw/zinc/78/58/82/899785882.db2.gz WSKXWWNICCXEFU-NRFANRHFSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cn1)CC2 ZINC001136928681 899785890 /nfs/dbraw/zinc/78/58/90/899785890.db2.gz WSKXWWNICCXEFU-NRFANRHFSA-N 2 1 385.939 3.991 20 0 GHADMP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cs2)cc1 ZINC000571623032 899928909 /nfs/dbraw/zinc/92/89/09/899928909.db2.gz CCVGKGUUAOXWPF-UXHICEINSA-N 2 1 387.549 3.537 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000571888900 900000298 /nfs/dbraw/zinc/00/02/98/900000298.db2.gz VKOBKSFFKKPIOS-UHFFFAOYSA-N 2 1 393.522 3.585 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)COC5)CC3)C2)c1 ZINC001137024288 900118578 /nfs/dbraw/zinc/11/85/78/900118578.db2.gz TWSHPCNTZUZZEH-UHFFFAOYSA-N 2 1 384.545 3.645 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)COC5)CC3)C2)c1 ZINC001137024288 900118588 /nfs/dbraw/zinc/11/85/88/900118588.db2.gz TWSHPCNTZUZZEH-UHFFFAOYSA-N 2 1 384.545 3.645 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001137025463 900122395 /nfs/dbraw/zinc/12/23/95/900122395.db2.gz GRWKNNASKSKIBF-CTUHWIOQSA-N 2 1 377.532 3.844 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001137025463 900122400 /nfs/dbraw/zinc/12/24/00/900122400.db2.gz GRWKNNASKSKIBF-CTUHWIOQSA-N 2 1 377.532 3.844 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001137025463 900122405 /nfs/dbraw/zinc/12/24/05/900122405.db2.gz GRWKNNASKSKIBF-CTUHWIOQSA-N 2 1 377.532 3.844 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]21 ZINC001137025463 900122409 /nfs/dbraw/zinc/12/24/09/900122409.db2.gz GRWKNNASKSKIBF-CTUHWIOQSA-N 2 1 377.532 3.844 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@H](COC)CC3)c2)CC1 ZINC000572693310 900252936 /nfs/dbraw/zinc/25/29/36/900252936.db2.gz LZGYTIKYNVXOEQ-NHCUHLMSSA-N 2 1 389.584 3.579 20 0 GHADMP O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000572787576 900276649 /nfs/dbraw/zinc/27/66/49/900276649.db2.gz AOWMELSYEQUVNJ-QPTUXGOLSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000572787577 900277078 /nfs/dbraw/zinc/27/70/78/900277078.db2.gz AOWMELSYEQUVNJ-YFNKSVMNSA-N 2 1 395.591 3.668 20 0 GHADMP C[NH+](C)CCOc1cccc(Nc2c[nH+]c3ccc(Br)cn23)c1 ZINC001212804188 900739083 /nfs/dbraw/zinc/73/90/83/900739083.db2.gz QGBLBOHAKMDQRU-UHFFFAOYSA-N 2 1 375.270 3.781 20 0 GHADMP Cc1c(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cccc1C(F)(F)F ZINC001143924623 900776046 /nfs/dbraw/zinc/77/60/46/900776046.db2.gz KMUPRDOHLKWUPT-RTBURBONSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cccc1C(F)(F)F ZINC001143924623 900776058 /nfs/dbraw/zinc/77/60/58/900776058.db2.gz KMUPRDOHLKWUPT-RTBURBONSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cccc1C(F)(F)F ZINC001143924623 900776063 /nfs/dbraw/zinc/77/60/63/900776063.db2.gz KMUPRDOHLKWUPT-RTBURBONSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1c(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cccc1C(F)(F)F ZINC001143924623 900776072 /nfs/dbraw/zinc/77/60/72/900776072.db2.gz KMUPRDOHLKWUPT-RTBURBONSA-N 2 1 392.469 3.701 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C3(CCC3)C2)cc1 ZINC000886164933 900853435 /nfs/dbraw/zinc/85/34/35/900853435.db2.gz YEVDOFLXIBDJME-YADHBBJMSA-N 2 1 384.564 3.607 20 0 GHADMP COc1c(C)cnc(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1C ZINC000574716257 900977065 /nfs/dbraw/zinc/97/70/65/900977065.db2.gz WFIOXPAHGZBCAH-QUCCMNQESA-N 2 1 396.535 3.511 20 0 GHADMP C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574763483 901000477 /nfs/dbraw/zinc/00/04/77/901000477.db2.gz UHQYOIFWHSFRER-UHFFFAOYSA-N 2 1 378.303 3.710 20 0 GHADMP C[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574763483 901000483 /nfs/dbraw/zinc/00/04/83/901000483.db2.gz UHQYOIFWHSFRER-UHFFFAOYSA-N 2 1 378.303 3.710 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000886503694 901092882 /nfs/dbraw/zinc/09/28/82/901092882.db2.gz ACBYXNQTRMLEGV-XLIONFOSSA-N 2 1 396.535 3.669 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000575122821 901124350 /nfs/dbraw/zinc/12/43/50/901124350.db2.gz FPBCTRHHUOPUNF-QFIPXVFZSA-N 2 1 398.572 3.518 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000575122821 901124365 /nfs/dbraw/zinc/12/43/65/901124365.db2.gz FPBCTRHHUOPUNF-QFIPXVFZSA-N 2 1 398.572 3.518 20 0 GHADMP COC(=O)c1cncc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000886532041 901135389 /nfs/dbraw/zinc/13/53/89/901135389.db2.gz CDRKHQMSJCETAC-KRWDZBQOSA-N 2 1 393.487 3.944 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886638213 901201546 /nfs/dbraw/zinc/20/15/46/901201546.db2.gz OCBVAYOQYGVNEN-DUSBTPNUSA-N 2 1 378.564 3.774 20 0 GHADMP Cc1[nH]c(C2CC[NH+](Cc3ccc(OCc4nccn4C)cc3)CC2)[nH+]c1C ZINC000886664412 901214479 /nfs/dbraw/zinc/21/44/79/901214479.db2.gz LOEUFYLRWXGSOS-UHFFFAOYSA-N 2 1 379.508 3.719 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844901880 901483942 /nfs/dbraw/zinc/48/39/42/901483942.db2.gz HTVISMQCKNQNJJ-QKLQHJQFSA-N 2 1 388.943 3.552 20 0 GHADMP COc1ccc([C@@H](CO)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000576584468 902109564 /nfs/dbraw/zinc/10/95/64/902109564.db2.gz PEKMCJQTQXMDPG-FGZHOGPDSA-N 2 1 380.532 3.558 20 0 GHADMP COc1ccc([C@@H](CO)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000576584468 902109574 /nfs/dbraw/zinc/10/95/74/902109574.db2.gz PEKMCJQTQXMDPG-FGZHOGPDSA-N 2 1 380.532 3.558 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3cc4ccccc4s3)CC2)CC1 ZINC000577076228 902487551 /nfs/dbraw/zinc/48/75/51/902487551.db2.gz ORLBOWSCGNAKDE-UHFFFAOYSA-N 2 1 399.604 3.756 20 0 GHADMP CCOc1c(Cl)cccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000577196014 902579995 /nfs/dbraw/zinc/57/99/95/902579995.db2.gz KAPMWACOLFRYHQ-GOSISDBHSA-N 2 1 393.984 3.879 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2F)[C@@H]2CCC[C@@H]21 ZINC000846203022 902787770 /nfs/dbraw/zinc/78/77/70/902787770.db2.gz JUUQSDWQLDAMAA-IHPCNDPISA-N 2 1 391.531 3.813 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000600845679 902997023 /nfs/dbraw/zinc/99/70/23/902997023.db2.gz IPHRZRQSXFYAKU-DENIHFKCSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000600845679 902997030 /nfs/dbraw/zinc/99/70/30/902997030.db2.gz IPHRZRQSXFYAKU-DENIHFKCSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000600845679 902997036 /nfs/dbraw/zinc/99/70/36/902997036.db2.gz IPHRZRQSXFYAKU-DENIHFKCSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600952871 903152039 /nfs/dbraw/zinc/15/20/39/903152039.db2.gz HLYISTDSXPYIEC-HXUWFJFHSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000132315899 903238017 /nfs/dbraw/zinc/23/80/17/903238017.db2.gz RMYCYPSCHWZDDP-INIZCTEOSA-N 2 1 386.927 3.706 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000846911618 903326834 /nfs/dbraw/zinc/32/68/34/903326834.db2.gz SVAGPNRLHFDHIN-SOAGJPPSSA-N 2 1 377.960 3.856 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000779047523 903483224 /nfs/dbraw/zinc/48/32/24/903483224.db2.gz XIPSQDOZOYNOTL-PMACEKPBSA-N 2 1 384.524 3.574 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000578077278 903497509 /nfs/dbraw/zinc/49/75/09/903497509.db2.gz MBBRQZLLRACNLU-UHFFFAOYSA-N 2 1 379.911 3.614 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000134906877 903590076 /nfs/dbraw/zinc/59/00/76/903590076.db2.gz PHKFYVOEICEHQV-BEFAXECRSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000134906877 903590081 /nfs/dbraw/zinc/59/00/81/903590081.db2.gz PHKFYVOEICEHQV-BEFAXECRSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000134906877 903590086 /nfs/dbraw/zinc/59/00/86/903590086.db2.gz PHKFYVOEICEHQV-BEFAXECRSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1C(F)(F)F ZINC000134906877 903590092 /nfs/dbraw/zinc/59/00/92/903590092.db2.gz PHKFYVOEICEHQV-BEFAXECRSA-N 2 1 395.469 3.983 20 0 GHADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn2cc[nH+]c12 ZINC000578296974 903707140 /nfs/dbraw/zinc/70/71/40/903707140.db2.gz CQINAVQVVCROLU-CRAIPNDOSA-N 2 1 383.521 3.909 20 0 GHADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn2cc[nH+]c12 ZINC000578296974 903707145 /nfs/dbraw/zinc/70/71/45/903707145.db2.gz CQINAVQVVCROLU-CRAIPNDOSA-N 2 1 383.521 3.909 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001171298757 903716526 /nfs/dbraw/zinc/71/65/26/903716526.db2.gz MQRSUQCYDJWFDH-XATUQGEJSA-N 2 1 382.935 3.926 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001171298757 903716543 /nfs/dbraw/zinc/71/65/43/903716543.db2.gz MQRSUQCYDJWFDH-XATUQGEJSA-N 2 1 382.935 3.926 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000136565006 903793210 /nfs/dbraw/zinc/79/32/10/903793210.db2.gz SNXLSWUHJRKTHW-DHIUTWEWSA-N 2 1 395.547 3.518 20 0 GHADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000136564950 903793333 /nfs/dbraw/zinc/79/33/33/903793333.db2.gz SNXLSWUHJRKTHW-PKTZIBPZSA-N 2 1 395.547 3.518 20 0 GHADMP COc1cccc2c1C[C@H](Nc1ccc3c(c1)[nH+]cn3[C@@H]1CCC[NH2+]CC1)CO2 ZINC001171312404 903839513 /nfs/dbraw/zinc/83/95/13/903839513.db2.gz GKUFAHLBKGSUNX-ZWKOTPCHSA-N 2 1 392.503 3.775 20 0 GHADMP COc1nccnc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000579673312 904797453 /nfs/dbraw/zinc/79/74/53/904797453.db2.gz DUUJTHBMTCIZSB-IVZBYUQCSA-N 2 1 386.927 3.842 20 0 GHADMP COc1nccnc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000579673312 904797469 /nfs/dbraw/zinc/79/74/69/904797469.db2.gz DUUJTHBMTCIZSB-IVZBYUQCSA-N 2 1 386.927 3.842 20 0 GHADMP COc1cc(C[NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1OC1CCOCC1 ZINC001171627147 904890614 /nfs/dbraw/zinc/89/06/14/904890614.db2.gz LYUASOUOLCWAOL-UHFFFAOYSA-N 2 1 390.568 3.994 20 0 GHADMP Cc1ccc(CC[C@H](C)[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001171670668 904909430 /nfs/dbraw/zinc/90/94/30/904909430.db2.gz GJPLZMBKPFSRPL-TUACAJSNSA-N 2 1 397.607 3.723 20 0 GHADMP C[NH+]1C(C)(C)CC([NH+]2CCC(c3cccc(S(C)(=O)=O)c3)CC2)CC1(C)C ZINC001171640581 904929802 /nfs/dbraw/zinc/92/98/02/904929802.db2.gz GMBJYEFLGAGKEN-UHFFFAOYSA-N 2 1 392.609 3.921 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC001171714746 904942945 /nfs/dbraw/zinc/94/29/45/904942945.db2.gz UJPYEBHZNPBXDO-LZNRXBQRSA-N 2 1 383.511 3.646 20 0 GHADMP CC[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC001171714746 904942956 /nfs/dbraw/zinc/94/29/56/904942956.db2.gz UJPYEBHZNPBXDO-LZNRXBQRSA-N 2 1 383.511 3.646 20 0 GHADMP C[C@H]1C[C@H](N2CCC[NH+](Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171761811 904997649 /nfs/dbraw/zinc/99/76/49/904997649.db2.gz GAXPYVADEWHUDP-RDPSFJRHSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@H]1C[C@H](N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C[NH+]1Cc1ccccc1 ZINC001171761811 904997655 /nfs/dbraw/zinc/99/76/55/904997655.db2.gz GAXPYVADEWHUDP-RDPSFJRHSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@H]1C[C@H](N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C[NH+]1Cc1ccccc1 ZINC001171761811 904997662 /nfs/dbraw/zinc/99/76/62/904997662.db2.gz GAXPYVADEWHUDP-RDPSFJRHSA-N 2 1 381.539 3.996 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000290927649 914874625 /nfs/dbraw/zinc/87/46/25/914874625.db2.gz OOHKHDPVBIHSPQ-XLIONFOSSA-N 2 1 388.943 3.607 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Cl)cc1 ZINC000290927649 914874646 /nfs/dbraw/zinc/87/46/46/914874646.db2.gz OOHKHDPVBIHSPQ-XLIONFOSSA-N 2 1 388.943 3.607 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)C2 ZINC001171840218 905089807 /nfs/dbraw/zinc/08/98/07/905089807.db2.gz ZAJWIXKFVFLMQV-CADBVGFASA-N 2 1 377.573 3.914 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)C2 ZINC001171840218 905089827 /nfs/dbraw/zinc/08/98/27/905089827.db2.gz ZAJWIXKFVFLMQV-CADBVGFASA-N 2 1 377.573 3.914 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001171952750 905159193 /nfs/dbraw/zinc/15/91/93/905159193.db2.gz WNXODJGXZOIEPO-IDYZSHNDSA-N 2 1 380.573 3.510 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001171951761 905159276 /nfs/dbraw/zinc/15/92/76/905159276.db2.gz AQHGEFPHRCJMPT-JOIKAWEESA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001171951761 905159281 /nfs/dbraw/zinc/15/92/81/905159281.db2.gz AQHGEFPHRCJMPT-JOIKAWEESA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001171951761 905159287 /nfs/dbraw/zinc/15/92/87/905159287.db2.gz AQHGEFPHRCJMPT-JOIKAWEESA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001171951761 905159295 /nfs/dbraw/zinc/15/92/95/905159295.db2.gz AQHGEFPHRCJMPT-JOIKAWEESA-N 2 1 376.566 3.624 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991034 905200661 /nfs/dbraw/zinc/20/06/61/905200661.db2.gz QNVIJCHIEWTUHO-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991034 905200680 /nfs/dbraw/zinc/20/06/80/905200680.db2.gz QNVIJCHIEWTUHO-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991034 905200698 /nfs/dbraw/zinc/20/06/98/905200698.db2.gz QNVIJCHIEWTUHO-IFMALSPDSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@H](N[C@@H]2CC[NH+](CC3CCOCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171978152 905226213 /nfs/dbraw/zinc/22/62/13/905226213.db2.gz FYGKCXJVRQEJPM-DHIUTWEWSA-N 2 1 385.596 3.520 20 0 GHADMP CC1(C)C[C@H](N[C@@H]2CC[N@H+](CC3CCOCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171978152 905226225 /nfs/dbraw/zinc/22/62/25/905226225.db2.gz FYGKCXJVRQEJPM-DHIUTWEWSA-N 2 1 385.596 3.520 20 0 GHADMP CC1(C)C[C@H](N[C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171978152 905226237 /nfs/dbraw/zinc/22/62/37/905226237.db2.gz FYGKCXJVRQEJPM-DHIUTWEWSA-N 2 1 385.596 3.520 20 0 GHADMP CC1(C)C[C@@H](N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980417 905232557 /nfs/dbraw/zinc/23/25/57/905232557.db2.gz QOGWMIMAWNIRCG-FKBYEOEOSA-N 2 1 393.579 3.996 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCCC[C@@H]2C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984811 905240062 /nfs/dbraw/zinc/24/00/62/905240062.db2.gz PEQCGCCCNNAVGT-FGZHOGPDSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCCC[C@@H]2C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171984811 905240069 /nfs/dbraw/zinc/24/00/69/905240069.db2.gz PEQCGCCCNNAVGT-FGZHOGPDSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001171984811 905240083 /nfs/dbraw/zinc/24/00/83/905240083.db2.gz PEQCGCCCNNAVGT-FGZHOGPDSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001171984811 905240094 /nfs/dbraw/zinc/24/00/94/905240094.db2.gz PEQCGCCCNNAVGT-FGZHOGPDSA-N 2 1 383.580 3.907 20 0 GHADMP O=C(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC001172072811 905279214 /nfs/dbraw/zinc/27/92/14/905279214.db2.gz NGMVFLOQXYVTSQ-BKFWDETESA-N 2 1 391.559 3.868 20 0 GHADMP O=C1CCC[C@]2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)N1 ZINC001172074208 905282176 /nfs/dbraw/zinc/28/21/76/905282176.db2.gz RIUXVKZSDNYBNN-JTOYRKQZSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)N1 ZINC001172074208 905282190 /nfs/dbraw/zinc/28/21/90/905282190.db2.gz RIUXVKZSDNYBNN-JTOYRKQZSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)N1 ZINC001172074208 905282203 /nfs/dbraw/zinc/28/22/03/905282203.db2.gz RIUXVKZSDNYBNN-JTOYRKQZSA-N 2 1 381.564 3.707 20 0 GHADMP CCN1CC[C@@]2(CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001172074286 905282857 /nfs/dbraw/zinc/28/28/57/905282857.db2.gz RUWJDDQXSGRMPP-KNAFXUBQSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@@]2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001172074286 905282874 /nfs/dbraw/zinc/28/28/74/905282874.db2.gz RUWJDDQXSGRMPP-KNAFXUBQSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001172074286 905282890 /nfs/dbraw/zinc/28/28/90/905282890.db2.gz RUWJDDQXSGRMPP-KNAFXUBQSA-N 2 1 395.591 3.907 20 0 GHADMP CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001172074286 905282906 /nfs/dbraw/zinc/28/29/06/905282906.db2.gz RUWJDDQXSGRMPP-KNAFXUBQSA-N 2 1 395.591 3.907 20 0 GHADMP O=C(NC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CCC1 ZINC001172075693 905283734 /nfs/dbraw/zinc/28/37/34/905283734.db2.gz SELYANXQKMCKFM-UBRQYEGLSA-N 2 1 395.591 3.953 20 0 GHADMP O=C1NCCC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)O1 ZINC001172083247 905296296 /nfs/dbraw/zinc/29/62/96/905296296.db2.gz OZEWDZMAPWTGAO-WKCHPHFGSA-N 2 1 383.536 3.537 20 0 GHADMP Cc1cnc(O[C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084748 905297953 /nfs/dbraw/zinc/29/79/53/905297953.db2.gz DFWGYFSAZYCPQD-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090760 905309986 /nfs/dbraw/zinc/30/99/86/905309986.db2.gz WZVDXURMOJNQGO-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090760 905310000 /nfs/dbraw/zinc/31/00/00/905310000.db2.gz WZVDXURMOJNQGO-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090760 905310020 /nfs/dbraw/zinc/31/00/20/905310020.db2.gz WZVDXURMOJNQGO-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001172090760 905310035 /nfs/dbraw/zinc/31/00/35/905310035.db2.gz WZVDXURMOJNQGO-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098658 905319343 /nfs/dbraw/zinc/31/93/43/905319343.db2.gz GJPZQVFQQGUWBK-OWQNAKTJSA-N 2 1 391.600 3.875 20 0 GHADMP CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172062997 905323869 /nfs/dbraw/zinc/32/38/69/905323869.db2.gz VGDBEFLEWOILPP-KOUNCHBCSA-N 2 1 398.572 3.765 20 0 GHADMP CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172062997 905323882 /nfs/dbraw/zinc/32/38/82/905323882.db2.gz VGDBEFLEWOILPP-KOUNCHBCSA-N 2 1 398.572 3.765 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(F)(F)F)cc3F)CC1)C2 ZINC001172128597 905341360 /nfs/dbraw/zinc/34/13/60/905341360.db2.gz SPGWNXGBYUMYFA-BJWYYQGGSA-N 2 1 385.449 3.982 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(C(F)(F)F)cc3F)CC1)C2 ZINC001172128597 905341379 /nfs/dbraw/zinc/34/13/79/905341379.db2.gz SPGWNXGBYUMYFA-BJWYYQGGSA-N 2 1 385.449 3.982 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccccc3Cl)CC1)C2 ZINC001172110315 905357145 /nfs/dbraw/zinc/35/71/45/905357145.db2.gz JRFYQPVDCBBMQR-YCEIQTCASA-N 2 1 389.971 3.986 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccccc3Cl)CC1)C2 ZINC001172110315 905357156 /nfs/dbraw/zinc/35/71/56/905357156.db2.gz JRFYQPVDCBBMQR-YCEIQTCASA-N 2 1 389.971 3.986 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172110928 905358580 /nfs/dbraw/zinc/35/85/80/905358580.db2.gz MBIWKKOYNSUKQL-DTUBNOLGSA-N 2 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172110928 905358603 /nfs/dbraw/zinc/35/86/03/905358603.db2.gz MBIWKKOYNSUKQL-DTUBNOLGSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172110928 905358650 /nfs/dbraw/zinc/35/86/50/905358650.db2.gz MBIWKKOYNSUKQL-DTUBNOLGSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172110928 905358695 /nfs/dbraw/zinc/35/86/95/905358695.db2.gz MBIWKKOYNSUKQL-DTUBNOLGSA-N 3 1 399.579 3.560 20 0 GHADMP COC(=O)c1ccc(C[NH+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172110928 905358714 /nfs/dbraw/zinc/35/87/14/905358714.db2.gz MBIWKKOYNSUKQL-DTUBNOLGSA-N 3 1 399.579 3.560 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CCO3)c1 ZINC001172116426 905367504 /nfs/dbraw/zinc/36/75/04/905367504.db2.gz FEPIWIYCHUTSSA-AWAHEQQVSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CCO3)c1 ZINC001172116426 905367515 /nfs/dbraw/zinc/36/75/15/905367515.db2.gz FEPIWIYCHUTSSA-AWAHEQQVSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+]([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001172116426 905367530 /nfs/dbraw/zinc/36/75/30/905367530.db2.gz FEPIWIYCHUTSSA-AWAHEQQVSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+]([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001172116426 905367543 /nfs/dbraw/zinc/36/75/43/905367543.db2.gz FEPIWIYCHUTSSA-AWAHEQQVSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CCO3)c1 ZINC001172116436 905368561 /nfs/dbraw/zinc/36/85/61/905368561.db2.gz FEPIWIYCHUTSSA-DVKRWUGUSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CCO3)c1 ZINC001172116436 905368576 /nfs/dbraw/zinc/36/85/76/905368576.db2.gz FEPIWIYCHUTSSA-DVKRWUGUSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001172116436 905368590 /nfs/dbraw/zinc/36/85/90/905368590.db2.gz FEPIWIYCHUTSSA-DVKRWUGUSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001172116436 905368604 /nfs/dbraw/zinc/36/86/04/905368604.db2.gz FEPIWIYCHUTSSA-DVKRWUGUSA-N 2 1 383.580 3.682 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccccc3N(C(=O)OC(C)(C)C)C1)C2 ZINC001172115756 905368705 /nfs/dbraw/zinc/36/87/05/905368705.db2.gz FKSQRHISSPEKRF-YSTOQKLRSA-N 2 1 385.552 3.958 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccccc3N(C(=O)OC(C)(C)C)C1)C2 ZINC001172115756 905368719 /nfs/dbraw/zinc/36/87/19/905368719.db2.gz FKSQRHISSPEKRF-YSTOQKLRSA-N 2 1 385.552 3.958 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1cccc(F)c1)[C@@H]1CO[C@@]3(C1)CCC[NH2+]C3)C2 ZINC001172117329 905372978 /nfs/dbraw/zinc/37/29/78/905372978.db2.gz IXNFNJRIOPMGLR-RYXOHYEVSA-N 2 1 387.543 3.559 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+]([C@H]4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)n1 ZINC001172119079 905376498 /nfs/dbraw/zinc/37/64/98/905376498.db2.gz SJNPPFDINJCMEP-ITGARAMISA-N 2 1 384.568 3.767 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@H]3O2)n1 ZINC001172119079 905376528 /nfs/dbraw/zinc/37/65/28/905376528.db2.gz SJNPPFDINJCMEP-ITGARAMISA-N 2 1 384.568 3.767 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[NH+]([C@H]4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)n1 ZINC001172119079 905376537 /nfs/dbraw/zinc/37/65/37/905376537.db2.gz SJNPPFDINJCMEP-ITGARAMISA-N 2 1 384.568 3.767 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172224758 905424837 /nfs/dbraw/zinc/42/48/37/905424837.db2.gz NMJGADJEDSEXFS-HRVKUGKESA-N 2 1 376.566 3.513 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C[C@H]1C ZINC001172374453 905488256 /nfs/dbraw/zinc/48/82/56/905488256.db2.gz QQEVRUBKTIDFBA-LGVFNWMJSA-N 2 1 397.607 3.868 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172330930 905495254 /nfs/dbraw/zinc/49/52/54/905495254.db2.gz OSZNNDMBKYUVRB-UFYCRDLUSA-N 2 1 378.557 3.929 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)CCOC(C)C)CC2 ZINC001172446690 905564747 /nfs/dbraw/zinc/56/47/47/905564747.db2.gz NCNJRHQAHXFNLI-RTBURBONSA-N 2 1 395.613 3.650 20 0 GHADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)NC(=O)OC(C)(C)C ZINC000801586002 921168886 /nfs/dbraw/zinc/16/88/86/921168886.db2.gz XQVMPCZEMVAMLO-MJGOQNOKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)NC(=O)OC(C)(C)C ZINC000801586002 921168889 /nfs/dbraw/zinc/16/88/89/921168889.db2.gz XQVMPCZEMVAMLO-MJGOQNOKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001173058049 906133231 /nfs/dbraw/zinc/13/32/31/906133231.db2.gz ALFBEQQUPWRKHD-MLYOOKFZSA-N 2 1 395.588 3.525 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)CC1 ZINC001173110356 906196546 /nfs/dbraw/zinc/19/65/46/906196546.db2.gz KAFLSPHHMTXZDQ-VQSBLYBRSA-N 2 1 387.568 3.593 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001173110084 906196609 /nfs/dbraw/zinc/19/66/09/906196609.db2.gz OCPRRRJMHDUTJT-YNIZLOQISA-N 2 1 379.589 3.971 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)CC1 ZINC001173109615 906197485 /nfs/dbraw/zinc/19/74/85/906197485.db2.gz DKAMQZIYUSKHND-IWAAJCSBSA-N 2 1 398.595 3.549 20 0 GHADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3C[C@H](Oc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001173112204 906200469 /nfs/dbraw/zinc/20/04/69/906200469.db2.gz SRDNXRSPJWREPX-HNYUPJOQSA-N 2 1 385.596 3.785 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)CC1 ZINC001173115005 906202900 /nfs/dbraw/zinc/20/29/00/906202900.db2.gz VTWQLZOTQVPMNN-HRTMPFAESA-N 2 1 385.596 3.981 20 0 GHADMP O=C(c1ccccc1)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000177853945 906229416 /nfs/dbraw/zinc/22/94/16/906229416.db2.gz CLUQEBGNDVXSMJ-UHFFFAOYSA-N 2 1 391.559 3.588 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001173213501 906330553 /nfs/dbraw/zinc/33/05/53/906330553.db2.gz FSVXSTDJNYCFSK-OAQYLSRUSA-N 2 1 393.575 3.693 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+]([C@@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)CC2 ZINC001173612732 906540130 /nfs/dbraw/zinc/54/01/30/906540130.db2.gz RLORRUANAUCINC-LECRGTDLSA-N 2 1 392.584 3.510 20 0 GHADMP CSc1ccsc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365913381 921245903 /nfs/dbraw/zinc/24/59/03/921245903.db2.gz XQFQEDBCLKXXCD-UHFFFAOYSA-N 2 1 395.638 3.738 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001173641310 906626333 /nfs/dbraw/zinc/62/63/33/906626333.db2.gz SXYPMOOWRXYLES-RTWAWAEBSA-N 2 1 399.579 3.880 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180130807 906695444 /nfs/dbraw/zinc/69/54/44/906695444.db2.gz ACTODIVJDWVNHP-NOTZXAQLSA-N 2 1 393.531 3.809 20 0 GHADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173773986 906699793 /nfs/dbraw/zinc/69/97/93/906699793.db2.gz AKIDUDYEOYYBSW-MRXNPFEDSA-N 2 1 395.950 3.925 20 0 GHADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173773985 906700056 /nfs/dbraw/zinc/70/00/56/906700056.db2.gz AKIDUDYEOYYBSW-INIZCTEOSA-N 2 1 395.950 3.925 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180161044 906704041 /nfs/dbraw/zinc/70/40/41/906704041.db2.gz WJHJQFQHUFFQLB-PUHATCMVSA-N 2 1 383.580 3.524 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173783839 906708327 /nfs/dbraw/zinc/70/83/27/906708327.db2.gz SYBCTFPCNMCXHD-UHFFFAOYSA-N 2 1 381.923 3.501 20 0 GHADMP COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000180909336 906874728 /nfs/dbraw/zinc/87/47/28/906874728.db2.gz GJSBKDDLLCHEME-INIZCTEOSA-N 2 1 379.460 3.583 20 0 GHADMP COc1ccc2oc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)cc2c1 ZINC000180985955 906889451 /nfs/dbraw/zinc/88/94/51/906889451.db2.gz AXZPBOGCTLGFSW-HXUWFJFHSA-N 2 1 380.488 3.688 20 0 GHADMP C[C@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630572 907043044 /nfs/dbraw/zinc/04/30/44/907043044.db2.gz YDTHIMZMYOIGTH-DLBZAZTESA-N 2 1 383.536 3.877 20 0 GHADMP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001174984766 907334421 /nfs/dbraw/zinc/33/44/21/907334421.db2.gz SGVLXAIZCCPVEK-BDTNDASRSA-N 2 1 384.564 3.808 20 0 GHADMP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)CCCC2 ZINC000631079390 907586223 /nfs/dbraw/zinc/58/62/23/907586223.db2.gz GSSMHYYIICLWIF-UHFFFAOYSA-N 2 1 378.520 3.814 20 0 GHADMP CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(C)ccn1 ZINC000631578887 907765404 /nfs/dbraw/zinc/76/54/04/907765404.db2.gz BBPLDPNWPYPRNL-VXKWHMMOSA-N 2 1 394.563 3.718 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cscc1Cl ZINC000631658424 907793423 /nfs/dbraw/zinc/79/34/23/907793423.db2.gz KTJYETKOODGFLW-UHFFFAOYSA-N 2 1 383.989 3.670 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000188360312 908206093 /nfs/dbraw/zinc/20/60/93/908206093.db2.gz TVAOIHAPTDSTMJ-HSZRJFAPSA-N 2 1 395.547 3.665 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH2+][C@H]1CCOC12CCOCC2)c1ccccc1 ZINC001176833186 908271369 /nfs/dbraw/zinc/27/13/69/908271369.db2.gz SPPDZMKSGARODH-RPWUZVMVSA-N 2 1 394.559 3.830 20 0 GHADMP C[C@@H](c1ccccc1Br)[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001176879235 908286293 /nfs/dbraw/zinc/28/62/93/908286293.db2.gz FZLQFOGYELSFJS-INIZCTEOSA-N 2 1 381.358 3.823 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2csc(C(F)(F)F)c2)c2cccs2)CC1 ZINC001177103839 908408402 /nfs/dbraw/zinc/40/84/02/908408402.db2.gz AVTJWOZCNIVAIZ-CQSZACIVSA-N 2 1 389.512 3.907 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC001177221852 908470680 /nfs/dbraw/zinc/47/06/80/908470680.db2.gz DNOFDDILVZTBHK-ISJGIBHGSA-N 2 1 399.623 3.940 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC001177453907 908576238 /nfs/dbraw/zinc/57/62/38/908576238.db2.gz GNRYJRNGWCSLSP-OTPAQWSUSA-N 2 1 393.575 3.832 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC001177453907 908576249 /nfs/dbraw/zinc/57/62/49/908576249.db2.gz GNRYJRNGWCSLSP-OTPAQWSUSA-N 2 1 393.575 3.832 20 0 GHADMP C[C@@H]1CCC[C@@](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC001177441907 908590988 /nfs/dbraw/zinc/59/09/88/908590988.db2.gz LRQAMFOQYYEBJN-ZRGWGRIASA-N 2 1 377.520 3.635 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCS2 ZINC000191547330 908640633 /nfs/dbraw/zinc/64/06/33/908640633.db2.gz XIGVJYJKDDBMAO-DENIHFKCSA-N 2 1 398.572 3.979 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001177737244 908731641 /nfs/dbraw/zinc/73/16/41/908731641.db2.gz LHCWOUWRPLATLT-UHFFFAOYSA-N 2 1 377.882 3.722 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000195237652 908985476 /nfs/dbraw/zinc/98/54/76/908985476.db2.gz HFIMLDHLSBVUOZ-NZQKXSOJSA-N 2 1 387.568 3.745 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001178855068 909263843 /nfs/dbraw/zinc/26/38/43/909263843.db2.gz CJSKQQZNJGXRRC-RBUKOAKNSA-N 2 1 397.604 3.645 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001178855068 909263860 /nfs/dbraw/zinc/26/38/60/909263860.db2.gz CJSKQQZNJGXRRC-RBUKOAKNSA-N 2 1 397.604 3.645 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000268048034 909752128 /nfs/dbraw/zinc/75/21/28/909752128.db2.gz SYWQEHHNDQFTNN-HNNXBMFYSA-N 2 1 377.579 3.513 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000245717619 909855933 /nfs/dbraw/zinc/85/59/33/909855933.db2.gz GYFQYDCREZVXBH-KKSFZXQISA-N 2 1 390.549 3.912 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000245717619 909855947 /nfs/dbraw/zinc/85/59/47/909855947.db2.gz GYFQYDCREZVXBH-KKSFZXQISA-N 2 1 390.549 3.912 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268821140 910032272 /nfs/dbraw/zinc/03/22/72/910032272.db2.gz LSPZSHSNDRVQPR-HYBUGGRVSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268821140 910032284 /nfs/dbraw/zinc/03/22/84/910032284.db2.gz LSPZSHSNDRVQPR-HYBUGGRVSA-N 2 1 391.559 3.934 20 0 GHADMP [NH3+]C1(CC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000638375546 910135321 /nfs/dbraw/zinc/13/53/21/910135321.db2.gz GPAVOSWBTZVVKB-ZWKOTPCHSA-N 2 1 397.485 3.607 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638427639 910151582 /nfs/dbraw/zinc/15/15/82/910151582.db2.gz WMGWYWCDBRDEPX-GGAORHGYSA-N 2 1 383.580 3.981 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638427639 910151593 /nfs/dbraw/zinc/15/15/93/910151593.db2.gz WMGWYWCDBRDEPX-GGAORHGYSA-N 2 1 383.580 3.981 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638637221 910207621 /nfs/dbraw/zinc/20/76/21/910207621.db2.gz OYWKXNJBSPUFAP-OFNKIYASSA-N 2 1 385.596 3.834 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c[nH]1 ZINC000639351581 910397771 /nfs/dbraw/zinc/39/77/71/910397771.db2.gz HVTSGQWIKOGBBM-NQAVQENRSA-N 2 1 379.504 3.575 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c[nH]1 ZINC000639351581 910397789 /nfs/dbraw/zinc/39/77/89/910397789.db2.gz HVTSGQWIKOGBBM-NQAVQENRSA-N 2 1 379.504 3.575 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000639703697 910620770 /nfs/dbraw/zinc/62/07/70/910620770.db2.gz LSENXKDFUBMGEJ-UHFFFAOYSA-N 2 1 380.536 3.938 20 0 GHADMP O=C(CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1C(F)(F)F ZINC000639706492 910622312 /nfs/dbraw/zinc/62/23/12/910622312.db2.gz ZEAWZOHXFYHMLO-UHFFFAOYSA-N 2 1 392.425 3.641 20 0 GHADMP c1n[nH]cc1[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778206 910657416 /nfs/dbraw/zinc/65/74/16/910657416.db2.gz QUHHVMFSMHJBPJ-FGZHOGPDSA-N 2 1 376.508 3.807 20 0 GHADMP C[NH+](C)CCCCCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F ZINC001181347251 910741566 /nfs/dbraw/zinc/74/15/66/910741566.db2.gz XQZIFXNYTNUNGQ-RBUKOAKNSA-N 2 1 395.538 3.627 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000271532785 910946402 /nfs/dbraw/zinc/94/64/02/910946402.db2.gz PTVXYWGDVHXXHG-XGCWNURASA-N 2 1 388.552 3.921 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)CCOC ZINC001181869224 911049387 /nfs/dbraw/zinc/04/93/87/911049387.db2.gz XLGUYKOMQYTGMK-FQEVSTJZSA-N 2 1 397.991 3.588 20 0 GHADMP CCCCC[NH+](C)CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCOC ZINC001181869224 911049403 /nfs/dbraw/zinc/04/94/03/911049403.db2.gz XLGUYKOMQYTGMK-FQEVSTJZSA-N 2 1 397.991 3.588 20 0 GHADMP CCCCC[NH+](C)CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCOC ZINC001181869224 911049420 /nfs/dbraw/zinc/04/94/20/911049420.db2.gz XLGUYKOMQYTGMK-FQEVSTJZSA-N 2 1 397.991 3.588 20 0 GHADMP [NH3+]CCN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1cccnc1 ZINC001182244398 911328825 /nfs/dbraw/zinc/32/88/25/911328825.db2.gz NSCDDOMYFAJQFC-FQEVSTJZSA-N 2 1 386.927 3.644 20 0 GHADMP O=C([C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)N1CC[NH+]2CCC1CC2 ZINC001182247253 911337557 /nfs/dbraw/zinc/33/75/57/911337557.db2.gz FFLRMSVPRQSTHF-FQEVSTJZSA-N 2 1 375.944 3.564 20 0 GHADMP C[N@@H+]1CCC[C@H]1CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242843 911371731 /nfs/dbraw/zinc/37/17/31/911371731.db2.gz CXEAWHUJFYSXGR-PMACEKPBSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182242843 911371746 /nfs/dbraw/zinc/37/17/46/911371746.db2.gz CXEAWHUJFYSXGR-PMACEKPBSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283185727 911403493 /nfs/dbraw/zinc/40/34/93/911403493.db2.gz QIVYJDDQNPOPFZ-DHIUTWEWSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283185727 911403507 /nfs/dbraw/zinc/40/35/07/911403507.db2.gz QIVYJDDQNPOPFZ-DHIUTWEWSA-N 2 1 391.559 3.603 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283185727 911403516 /nfs/dbraw/zinc/40/35/16/911403516.db2.gz QIVYJDDQNPOPFZ-DHIUTWEWSA-N 2 1 391.559 3.603 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[C@@H](C)C1 ZINC000774509980 911807433 /nfs/dbraw/zinc/80/74/33/911807433.db2.gz BUPSLRSXIYECFP-NMLBUPMWSA-N 2 1 397.604 3.501 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[C@H](C)C1 ZINC000774509984 911807595 /nfs/dbraw/zinc/80/75/95/911807595.db2.gz BUPSLRSXIYECFP-WTGUMLROSA-N 2 1 397.604 3.501 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000092821006 911839623 /nfs/dbraw/zinc/83/96/23/911839623.db2.gz IPPZQOXKTNLYQR-NRFANRHFSA-N 2 1 375.463 3.632 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001182656037 911956837 /nfs/dbraw/zinc/95/68/37/911956837.db2.gz IWJVYRQMTIBZBI-LEOXJPRUSA-N 2 1 393.531 3.711 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1)[NH+]1CCOCC1 ZINC001182656037 911956851 /nfs/dbraw/zinc/95/68/51/911956851.db2.gz IWJVYRQMTIBZBI-LEOXJPRUSA-N 2 1 393.531 3.711 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000248400925 912056840 /nfs/dbraw/zinc/05/68/40/912056840.db2.gz RCBDFFHGGGCJIE-AFYVEPGGSA-N 2 1 390.572 3.985 20 0 GHADMP COc1ncncc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000647209682 915084119 /nfs/dbraw/zinc/08/41/19/915084119.db2.gz VZMSPORUSPJEJL-HAYQSNGGSA-N 2 1 386.927 3.842 20 0 GHADMP COc1ncncc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000647209682 915084142 /nfs/dbraw/zinc/08/41/42/915084142.db2.gz VZMSPORUSPJEJL-HAYQSNGGSA-N 2 1 386.927 3.842 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975475 915457288 /nfs/dbraw/zinc/45/72/88/915457288.db2.gz ATMYUVUOHWZEKP-OAGGEKHMSA-N 2 1 383.458 3.744 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@H+]1CC ZINC000648841074 915905249 /nfs/dbraw/zinc/90/52/49/915905249.db2.gz ZWIDVERWQPEAQN-QUCCMNQESA-N 2 1 398.551 3.615 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000648841074 915905259 /nfs/dbraw/zinc/90/52/59/915905259.db2.gz ZWIDVERWQPEAQN-QUCCMNQESA-N 2 1 398.551 3.615 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000649101891 916021412 /nfs/dbraw/zinc/02/14/12/916021412.db2.gz LGOGLQPVUVYBIL-VJBWXMMDSA-N 2 1 379.548 3.531 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649345309 916108198 /nfs/dbraw/zinc/10/81/98/916108198.db2.gz VBGZWMCTUXOURD-NQIIRXRSSA-N 2 1 385.939 3.710 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)o1 ZINC000649360247 916113210 /nfs/dbraw/zinc/11/32/10/916113210.db2.gz WCUIRFGKZQPIIL-SFHVURJKSA-N 2 1 375.900 3.562 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000649378537 916129124 /nfs/dbraw/zinc/12/91/24/916129124.db2.gz GSXMYROUMIWFEK-LJQANCHMSA-N 2 1 386.584 3.529 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000361155136 916533956 /nfs/dbraw/zinc/53/39/56/916533956.db2.gz AEJQHQADBWPHTO-STQMWFEESA-N 2 1 375.257 3.767 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000361155136 916533961 /nfs/dbraw/zinc/53/39/61/916533961.db2.gz AEJQHQADBWPHTO-STQMWFEESA-N 2 1 375.257 3.767 20 0 GHADMP COCCN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000509457393 916809984 /nfs/dbraw/zinc/80/99/84/916809984.db2.gz XMWZUUYQTJXHHD-QFIPXVFZSA-N 2 1 396.579 3.555 20 0 GHADMP COCCN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000509457393 916810002 /nfs/dbraw/zinc/81/00/02/916810002.db2.gz XMWZUUYQTJXHHD-QFIPXVFZSA-N 2 1 396.579 3.555 20 0 GHADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cn(Cc3ccccc3)nc1-c1cccnc1)C2 ZINC000650709157 917245575 /nfs/dbraw/zinc/24/55/75/917245575.db2.gz HHVOTIYJAWYRCS-UPVQGACJSA-N 2 1 387.531 3.554 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000650722655 917248051 /nfs/dbraw/zinc/24/80/51/917248051.db2.gz YSLMYXGLSZEKOP-SBHAEUEKSA-N 2 1 376.541 3.735 20 0 GHADMP O=C1O[C@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444245 917337791 /nfs/dbraw/zinc/33/77/91/917337791.db2.gz LNHMNSXVXQYPLN-VWNXMTODSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444245 917337803 /nfs/dbraw/zinc/33/78/03/917337803.db2.gz LNHMNSXVXQYPLN-VWNXMTODSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444245 917337816 /nfs/dbraw/zinc/33/78/16/917337816.db2.gz LNHMNSXVXQYPLN-VWNXMTODSA-N 2 1 391.515 3.610 20 0 GHADMP O=C1O[C@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CN1c1ccccc1 ZINC000796444245 917337828 /nfs/dbraw/zinc/33/78/28/917337828.db2.gz LNHMNSXVXQYPLN-VWNXMTODSA-N 2 1 391.515 3.610 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000295614958 917381226 /nfs/dbraw/zinc/38/12/26/917381226.db2.gz GOSJGMUENMFVNK-SCLBCKFNSA-N 2 1 397.332 3.666 20 0 GHADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2csc(N(C)C)n2)ccc1OC ZINC000775398423 917440956 /nfs/dbraw/zinc/44/09/56/917440956.db2.gz YMGMTVKPLXSESD-HNNXBMFYSA-N 2 1 376.570 3.910 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c2ncccc12 ZINC001190650661 917481380 /nfs/dbraw/zinc/48/13/80/917481380.db2.gz DAMYJXSPQYQWNM-LJQANCHMSA-N 2 1 395.547 3.965 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c2ncccc12 ZINC001190650661 917481386 /nfs/dbraw/zinc/48/13/86/917481386.db2.gz DAMYJXSPQYQWNM-LJQANCHMSA-N 2 1 395.547 3.965 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000652361982 917882762 /nfs/dbraw/zinc/88/27/62/917882762.db2.gz VBQAUTKIHIUWJE-NZSAHSFTSA-N 2 1 375.900 3.856 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000653123450 918133334 /nfs/dbraw/zinc/13/33/34/918133334.db2.gz ZAGOHCKOVOLOJS-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000653121390 918133499 /nfs/dbraw/zinc/13/34/99/918133499.db2.gz STVZMRUYEBDKDL-YQVWRLOYSA-N 2 1 397.485 3.594 20 0 GHADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253633 918201621 /nfs/dbraw/zinc/20/16/21/918201621.db2.gz ZNFITNDZZUMGKT-HXUWFJFHSA-N 2 1 385.533 3.522 20 0 GHADMP COc1c(Cl)cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205570996 918218638 /nfs/dbraw/zinc/21/86/38/918218638.db2.gz ROLLIZDYGKIXFJ-HNNXBMFYSA-N 2 1 379.701 3.764 20 0 GHADMP COc1c(Cl)cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc1Br ZINC001205570996 918218644 /nfs/dbraw/zinc/21/86/44/918218644.db2.gz ROLLIZDYGKIXFJ-HNNXBMFYSA-N 2 1 379.701 3.764 20 0 GHADMP FC(F)(F)COc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1 ZINC000653493543 918262590 /nfs/dbraw/zinc/26/25/90/918262590.db2.gz ZVMWAMGEHVIUSV-UHFFFAOYSA-N 2 1 386.462 3.506 20 0 GHADMP CCN(CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000775502423 918456414 /nfs/dbraw/zinc/45/64/14/918456414.db2.gz WFPFFWSAEGGKDN-UYAOXDASSA-N 2 1 375.557 3.744 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@@H](C)C1 ZINC000363778798 918847523 /nfs/dbraw/zinc/84/75/23/918847523.db2.gz CGMVAONXVZDTPI-PGRDOPGGSA-N 2 1 382.552 3.626 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(-c4cccs4)n3)CC2)CC1 ZINC000363790481 918864113 /nfs/dbraw/zinc/86/41/13/918864113.db2.gz AFSLSYUHBUZAKB-UHFFFAOYSA-N 2 1 390.622 3.721 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000654235932 918911469 /nfs/dbraw/zinc/91/14/69/918911469.db2.gz MZXWEHLTMDBSKS-LJQANCHMSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001275869737 919039885 /nfs/dbraw/zinc/03/98/85/919039885.db2.gz WRHVFLWFQJXNMZ-URXFXBBRSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001275869737 919039960 /nfs/dbraw/zinc/03/99/60/919039960.db2.gz WRHVFLWFQJXNMZ-URXFXBBRSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001275869737 919040012 /nfs/dbraw/zinc/04/00/12/919040012.db2.gz WRHVFLWFQJXNMZ-URXFXBBRSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001275869737 919040040 /nfs/dbraw/zinc/04/00/40/919040040.db2.gz WRHVFLWFQJXNMZ-URXFXBBRSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486105 920169415 /nfs/dbraw/zinc/16/94/15/920169415.db2.gz BWUMOVRTMXXYKY-LEWJYISDSA-N 2 1 398.551 3.964 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486105 920169423 /nfs/dbraw/zinc/16/94/23/920169423.db2.gz BWUMOVRTMXXYKY-LEWJYISDSA-N 2 1 398.551 3.964 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000800505808 920211976 /nfs/dbraw/zinc/21/19/76/920211976.db2.gz MAMZULMLGRJOJB-AFUZNKLUSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)/C=C\c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000800505808 920211992 /nfs/dbraw/zinc/21/19/92/920211992.db2.gz MAMZULMLGRJOJB-AFUZNKLUSA-N 2 1 391.559 3.849 20 0 GHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000800971888 920657195 /nfs/dbraw/zinc/65/71/95/920657195.db2.gz XNEBINWEAMGQBQ-MJGOQNOKSA-N 2 1 379.342 3.669 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000367538353 922179994 /nfs/dbraw/zinc/17/99/94/922179994.db2.gz OBZVLPLKCRDGCH-TZKYFUQOSA-N 2 1 382.573 3.565 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC(C)C)C3CCOCC3)CC2)oc1C ZINC000902800528 922503849 /nfs/dbraw/zinc/50/38/49/922503849.db2.gz PJLCQMVYOIEMSD-NRFANRHFSA-N 2 1 377.573 3.934 20 0 GHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000903127992 922795585 /nfs/dbraw/zinc/79/55/85/922795585.db2.gz PNWYCXOECBETQC-VBYMRULDSA-N 2 1 379.552 3.702 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C(=O)N4CCCC4)cc3)C2)CC1 ZINC000748436621 923638092 /nfs/dbraw/zinc/63/80/92/923638092.db2.gz OPGLPPCGLVGQCX-QFIPXVFZSA-N 2 1 383.580 3.867 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)N4CCCC4)cc3)C2)CC1 ZINC000748436621 923638099 /nfs/dbraw/zinc/63/80/99/923638099.db2.gz OPGLPPCGLVGQCX-QFIPXVFZSA-N 2 1 383.580 3.867 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(Cc2ccccc2)CC1 ZINC000370311476 924027324 /nfs/dbraw/zinc/02/73/24/924027324.db2.gz GYVMKWHZXODARI-UHFFFAOYSA-N 2 1 397.607 3.664 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000678288828 924708804 /nfs/dbraw/zinc/70/88/04/924708804.db2.gz UUWDRCIYZFJMQG-UHFFFAOYSA-N 2 1 397.346 3.928 20 0 GHADMP [NH3+]Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1 ZINC000827103775 924752844 /nfs/dbraw/zinc/75/28/44/924752844.db2.gz OVNPQUZKLNXDQH-NRFANRHFSA-N 2 1 391.540 3.736 20 0 GHADMP [NH3+]Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000827103775 924752850 /nfs/dbraw/zinc/75/28/50/924752850.db2.gz OVNPQUZKLNXDQH-NRFANRHFSA-N 2 1 391.540 3.736 20 0 GHADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000409639425 924840926 /nfs/dbraw/zinc/84/09/26/924840926.db2.gz DCBREUKGOIURJS-FQEVSTJZSA-N 2 1 391.559 3.736 20 0 GHADMP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000409639425 924840933 /nfs/dbraw/zinc/84/09/33/924840933.db2.gz DCBREUKGOIURJS-FQEVSTJZSA-N 2 1 391.559 3.736 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@]3(CO)CCC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000679042405 925007040 /nfs/dbraw/zinc/00/70/40/925007040.db2.gz BFXGGLQFGTZLGY-NQHRYMMQSA-N 2 1 399.623 3.646 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000680404878 925469839 /nfs/dbraw/zinc/46/98/39/925469839.db2.gz NOPDPJWNNQAHNJ-WFXMLNOXSA-N 2 1 391.515 3.863 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000680404878 925469843 /nfs/dbraw/zinc/46/98/43/925469843.db2.gz NOPDPJWNNQAHNJ-WFXMLNOXSA-N 2 1 391.515 3.863 20 0 GHADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000680628489 925545908 /nfs/dbraw/zinc/54/59/08/925545908.db2.gz PYCAHNJKYSIAHH-HXUWFJFHSA-N 2 1 383.536 3.858 20 0 GHADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(N2CCCC2)n1 ZINC000681397126 925811278 /nfs/dbraw/zinc/81/12/78/925811278.db2.gz HGKCKRZAJHJGKX-REWPJTCUSA-N 2 1 378.564 3.990 20 0 GHADMP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(N2CCCC2)n1 ZINC000681397126 925811284 /nfs/dbraw/zinc/81/12/84/925811284.db2.gz HGKCKRZAJHJGKX-REWPJTCUSA-N 2 1 378.564 3.990 20 0 GHADMP Cc1nc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)oc1C ZINC000411241836 926240639 /nfs/dbraw/zinc/24/06/39/926240639.db2.gz VNEGOSONHZACOR-UHFFFAOYSA-N 2 1 382.552 3.595 20 0 GHADMP CC(CC[NH+]1CC[C@@H](C2CCOCC2)C1)CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000411405661 926361174 /nfs/dbraw/zinc/36/11/74/926361174.db2.gz HLKOWTNXOKIZLM-DNQXCXABSA-N 2 1 392.628 3.900 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 ZINC000411480472 926446897 /nfs/dbraw/zinc/44/68/97/926446897.db2.gz VWVKZRZPVOTRKN-BTYIYWSLSA-N 2 1 378.451 3.776 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398003680 926486011 /nfs/dbraw/zinc/48/60/11/926486011.db2.gz GCKCHTYBZILLTB-BJLQDIEVSA-N 2 1 375.557 3.647 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398003680 926486013 /nfs/dbraw/zinc/48/60/13/926486013.db2.gz GCKCHTYBZILLTB-BJLQDIEVSA-N 2 1 375.557 3.647 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000411555304 926506889 /nfs/dbraw/zinc/50/68/89/926506889.db2.gz VTMNFWJURMHVCF-DYESRHJHSA-N 2 1 383.511 3.963 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000726237492 926604198 /nfs/dbraw/zinc/60/41/98/926604198.db2.gz AZLRVSYHLSZRCI-HSALFYBXSA-N 2 1 392.632 3.697 20 0 GHADMP C[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411723741 926692374 /nfs/dbraw/zinc/69/23/74/926692374.db2.gz XPEXIURKAOZBMX-SRDOODBNSA-N 2 1 397.588 3.901 20 0 GHADMP C[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411723741 926692380 /nfs/dbraw/zinc/69/23/80/926692380.db2.gz XPEXIURKAOZBMX-SRDOODBNSA-N 2 1 397.588 3.901 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc2cccnc21 ZINC000374202681 926894901 /nfs/dbraw/zinc/89/49/01/926894901.db2.gz YBTNVOAKGBLZLT-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000749583668 927202091 /nfs/dbraw/zinc/20/20/91/927202091.db2.gz SXWOSDPTFHEEBG-FQEVSTJZSA-N 2 1 392.975 3.685 20 0 GHADMP C[N@@H+](CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000751073751 928015056 /nfs/dbraw/zinc/01/50/56/928015056.db2.gz JCQMIYULIUFPGV-UHFFFAOYSA-N 2 1 386.584 3.605 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(C4CCCC4)n3)CC2)CC1 ZINC000375235070 928074002 /nfs/dbraw/zinc/07/40/02/928074002.db2.gz WHOXRVHEXDAKJG-UHFFFAOYSA-N 2 1 376.614 3.650 20 0 GHADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OCc1cccnc1 ZINC000375507304 928379599 /nfs/dbraw/zinc/37/95/99/928379599.db2.gz OIQYODLFKGZBCX-UHFFFAOYSA-N 2 1 381.520 3.729 20 0 GHADMP C[C@H]1C[C@@H](Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)C[N@H+]1Cc1ccccc1 ZINC000753584806 929428898 /nfs/dbraw/zinc/42/88/98/929428898.db2.gz ALTBJPDBRQBMII-SIKLNZKXSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@H]1C[C@@H](Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)C[NH+]1Cc1ccccc1 ZINC000753584806 929428908 /nfs/dbraw/zinc/42/89/08/929428908.db2.gz ALTBJPDBRQBMII-SIKLNZKXSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@H]1C[C@@H](Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)C[NH+]1Cc1ccccc1 ZINC000753584806 929428916 /nfs/dbraw/zinc/42/89/16/929428916.db2.gz ALTBJPDBRQBMII-SIKLNZKXSA-N 2 1 393.575 3.891 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@@H]32)cc1 ZINC000546052013 929807402 /nfs/dbraw/zinc/80/74/02/929807402.db2.gz HJVHPHMILZWFJL-YADHBBJMSA-N 2 1 391.563 3.958 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)CC[C@@H]32)cc1 ZINC000546052013 929807407 /nfs/dbraw/zinc/80/74/07/929807407.db2.gz HJVHPHMILZWFJL-YADHBBJMSA-N 2 1 391.563 3.958 20 0 GHADMP Cc1ccc2[nH+]ccc(N3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000546182685 929934583 /nfs/dbraw/zinc/93/45/83/929934583.db2.gz PEORWWFRZDKWQS-KDURUIRLSA-N 2 1 383.536 3.638 20 0 GHADMP Cc1ccc2[nH+]ccc(N3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000546182685 929934587 /nfs/dbraw/zinc/93/45/87/929934587.db2.gz PEORWWFRZDKWQS-KDURUIRLSA-N 2 1 383.536 3.638 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1Br ZINC000469492240 929937277 /nfs/dbraw/zinc/93/72/77/929937277.db2.gz PWRBIOIIVMTJKP-SFHVURJKSA-N 2 1 394.357 3.856 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1Br ZINC000469492240 929937288 /nfs/dbraw/zinc/93/72/88/929937288.db2.gz PWRBIOIIVMTJKP-SFHVURJKSA-N 2 1 394.357 3.856 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1F ZINC000469787588 930162556 /nfs/dbraw/zinc/16/25/56/930162556.db2.gz PYMJBDBMQXOIAP-IAGOWNOFSA-N 2 1 384.495 3.859 20 0 GHADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000469861468 930213930 /nfs/dbraw/zinc/21/39/30/930213930.db2.gz XJGCQPKZKLVBRX-ZJSXRUAMSA-N 2 1 391.559 3.742 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000781425418 930840822 /nfs/dbraw/zinc/84/08/22/930840822.db2.gz ILZZGIYBCLQGRH-IKJKNFHUSA-N 2 1 385.596 3.519 20 0 GHADMP CC1(C)CCc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000781641849 930922007 /nfs/dbraw/zinc/92/20/07/930922007.db2.gz UYSXWSDTSDUBOE-JOCHJYFZSA-N 2 1 380.532 3.647 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470888787 931001739 /nfs/dbraw/zinc/00/17/39/931001739.db2.gz AJVJBUFHIOOUBR-FGZHOGPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470888787 931001746 /nfs/dbraw/zinc/00/17/46/931001746.db2.gz AJVJBUFHIOOUBR-FGZHOGPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470888787 931001751 /nfs/dbraw/zinc/00/17/51/931001751.db2.gz AJVJBUFHIOOUBR-FGZHOGPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470898017 931010975 /nfs/dbraw/zinc/01/09/75/931010975.db2.gz PUVYMIZBOBRRBH-SJBKTWHCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(-c2ccccc2)c1 ZINC000781922764 931031156 /nfs/dbraw/zinc/03/11/56/931031156.db2.gz KROIBYXYCAQHRG-NTKDMRAZSA-N 2 1 390.531 3.680 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000557183003 931253187 /nfs/dbraw/zinc/25/31/87/931253187.db2.gz AKZKMNXGKAUQLN-QHCPKHFHSA-N 2 1 386.584 3.594 20 0 GHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000557357059 931370903 /nfs/dbraw/zinc/37/09/03/931370903.db2.gz FMLXLMVDFHDADW-HXUWFJFHSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc(C[NH+](C)C)c1 ZINC000924586659 931431746 /nfs/dbraw/zinc/43/17/46/931431746.db2.gz HRZDNGXMSJWMGH-CYBMUJFWSA-N 2 1 377.414 3.661 20 0 GHADMP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ncccc1Cl ZINC000924690758 931476820 /nfs/dbraw/zinc/47/68/20/931476820.db2.gz WSJZBHNWUKRFQH-IBGZPJMESA-N 2 1 387.959 3.903 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000783307500 931516476 /nfs/dbraw/zinc/51/64/76/931516476.db2.gz KCEOFWRZZFDJGI-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000783307500 931516481 /nfs/dbraw/zinc/51/64/81/931516481.db2.gz KCEOFWRZZFDJGI-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000783325819 931520503 /nfs/dbraw/zinc/52/05/03/931520503.db2.gz CBEARABIYYJTFG-YRPNKDGESA-N 2 1 397.604 3.549 20 0 GHADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)CC1 ZINC000925059263 931630205 /nfs/dbraw/zinc/63/02/05/931630205.db2.gz HKUNKQDNKUJXNW-SFHVURJKSA-N 2 1 391.575 3.948 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[C@@H]2CCC[C@@H]21 ZINC000796947105 932118348 /nfs/dbraw/zinc/11/83/48/932118348.db2.gz HWMNQMRRUIWMIJ-ACRUOGEOSA-N 2 1 385.552 3.900 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)sc2C1 ZINC000558825862 932257980 /nfs/dbraw/zinc/25/79/80/932257980.db2.gz DPNLQQWDOOJJNH-UHFFFAOYSA-N 2 1 384.549 3.758 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)sc2C1 ZINC000558825862 932257989 /nfs/dbraw/zinc/25/79/89/932257989.db2.gz DPNLQQWDOOJJNH-UHFFFAOYSA-N 2 1 384.549 3.758 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000927127061 932425520 /nfs/dbraw/zinc/42/55/20/932425520.db2.gz QIITXFPKGIETFG-JBYGMCGMSA-N 2 1 387.568 3.684 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC[N@H+]1C ZINC000927127061 932425524 /nfs/dbraw/zinc/42/55/24/932425524.db2.gz QIITXFPKGIETFG-JBYGMCGMSA-N 2 1 387.568 3.684 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000559243473 932545006 /nfs/dbraw/zinc/54/50/06/932545006.db2.gz IYJRLKXBKTUIPS-GOSISDBHSA-N 2 1 379.976 3.778 20 0 GHADMP C[C@@]1(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798344911 932606152 /nfs/dbraw/zinc/60/61/52/932606152.db2.gz OFYQJSNGIKQBKS-QHCPKHFHSA-N 2 1 399.502 3.535 20 0 GHADMP C[C@@]1(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798344911 932606155 /nfs/dbraw/zinc/60/61/55/932606155.db2.gz OFYQJSNGIKQBKS-QHCPKHFHSA-N 2 1 399.502 3.535 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000559741434 932829751 /nfs/dbraw/zinc/82/97/51/932829751.db2.gz MEQJIUBGTJOBMQ-DHIUTWEWSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)C[C@@H]1c1ccccc1 ZINC000559741434 932829753 /nfs/dbraw/zinc/82/97/53/932829753.db2.gz MEQJIUBGTJOBMQ-DHIUTWEWSA-N 2 1 377.532 3.734 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000798955031 932837739 /nfs/dbraw/zinc/83/77/39/932837739.db2.gz IQVFORJEHDYRHV-QFIPXVFZSA-N 2 1 381.545 3.602 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177811 932898036 /nfs/dbraw/zinc/89/80/36/932898036.db2.gz VXPWYFWTIMDGPX-HNNXBMFYSA-N 2 1 394.357 3.584 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)n2)cc1F ZINC000799176963 932898329 /nfs/dbraw/zinc/89/83/29/932898329.db2.gz HEBLOLUGQOAIJE-UHFFFAOYSA-N 2 1 386.515 3.925 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000559842341 932899965 /nfs/dbraw/zinc/89/99/65/932899965.db2.gz MDTZAIPYJQNERZ-FDFHNCONSA-N 2 1 378.520 3.718 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000559842341 932899969 /nfs/dbraw/zinc/89/99/69/932899969.db2.gz MDTZAIPYJQNERZ-FDFHNCONSA-N 2 1 378.520 3.718 20 0 GHADMP C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000559879213 932919322 /nfs/dbraw/zinc/91/93/22/932919322.db2.gz UJVXPJDEGPVQOP-HTAPYJJXSA-N 2 1 387.543 3.874 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000560018875 933020967 /nfs/dbraw/zinc/02/09/67/933020967.db2.gz SUSMIDJYWOTOIW-GCJKJVERSA-N 2 1 390.930 3.884 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000560018875 933020972 /nfs/dbraw/zinc/02/09/72/933020972.db2.gz SUSMIDJYWOTOIW-GCJKJVERSA-N 2 1 390.930 3.884 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000560049513 933035587 /nfs/dbraw/zinc/03/55/87/933035587.db2.gz WZQIBSMKRWHQRC-KRWDZBQOSA-N 2 1 379.957 3.790 20 0 GHADMP O=C(C[NH+]1CCC(CC(F)(F)F)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000560170378 933108984 /nfs/dbraw/zinc/10/89/84/933108984.db2.gz LFAAVCZEKSRSAW-UHFFFAOYSA-N 2 1 397.485 3.563 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1cccnc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001116041271 933300794 /nfs/dbraw/zinc/30/07/94/933300794.db2.gz GKXMYZYNNGMLIA-XZOQPEGZSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1cccnc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001116041271 933300807 /nfs/dbraw/zinc/30/08/07/933300807.db2.gz GKXMYZYNNGMLIA-XZOQPEGZSA-N 2 1 398.595 3.551 20 0 GHADMP CCn1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000560535730 933322219 /nfs/dbraw/zinc/32/22/19/933322219.db2.gz DZVVOFZHVPQJGI-XPWALMASSA-N 2 1 379.548 3.649 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC001116375980 933518705 /nfs/dbraw/zinc/51/87/05/933518705.db2.gz OIBALGKCIMHYJB-LEWJYISDSA-N 2 1 390.547 3.526 20 0 GHADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000560894447 933660692 /nfs/dbraw/zinc/66/06/92/933660692.db2.gz WSRFFDPZMLHYMA-CEXWTWQISA-N 2 1 390.572 3.757 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561060510 933828157 /nfs/dbraw/zinc/82/81/57/933828157.db2.gz LVMIOJGWVVOPON-VQTJNVASSA-N 2 1 383.561 3.523 20 0 GHADMP CC[NH+](CC)Cc1ccc(-c2nnc(-c3cnn(-c4cc[nH+]cc4)c3C)o2)o1 ZINC001117213307 933889438 /nfs/dbraw/zinc/88/94/38/933889438.db2.gz CZVWZGHJKAYVTO-UHFFFAOYSA-N 2 1 378.436 3.728 20 0 GHADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(C)n1 ZINC000561278636 934014576 /nfs/dbraw/zinc/01/45/76/934014576.db2.gz NTZZVQHGDXPJBQ-XMSQKQJNSA-N 2 1 394.563 3.673 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC001118198429 934106099 /nfs/dbraw/zinc/10/60/99/934106099.db2.gz NAUKVBCZUGPAQH-MOPGFXCFSA-N 2 1 379.548 3.871 20 0 GHADMP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1cc2ccccc2s1 ZINC001120531167 934470490 /nfs/dbraw/zinc/47/04/90/934470490.db2.gz AYFUEWTYRPITJH-ZYSHUDEJSA-N 2 1 398.576 3.573 20 0 GHADMP COc1ccc2cc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)ccc2c1 ZINC000561981149 934604712 /nfs/dbraw/zinc/60/47/12/934604712.db2.gz ZJQMORPWDULJCP-AIZNXBIQSA-N 2 1 379.548 3.591 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000562012120 934631214 /nfs/dbraw/zinc/63/12/14/934631214.db2.gz ARWOMJPVNCXZPW-XQBPLPMBSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000562012120 934631219 /nfs/dbraw/zinc/63/12/19/934631219.db2.gz ARWOMJPVNCXZPW-XQBPLPMBSA-N 2 1 375.520 3.971 20 0 GHADMP O=C(CCCCC1CC[NH2+]CC1)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1 ZINC001122224514 934845840 /nfs/dbraw/zinc/84/58/40/934845840.db2.gz LDQSBTWFLOOKJQ-UHFFFAOYSA-N 2 1 383.540 3.528 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC001122249060 934849736 /nfs/dbraw/zinc/84/97/36/934849736.db2.gz VEXHGIYUFZCUIH-KGYZHSKHSA-N 2 1 383.458 3.619 20 0 GHADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[NH+]3C2)CC[N@H+]1Cc1ccccc1 ZINC001137819199 935806433 /nfs/dbraw/zinc/80/64/33/935806433.db2.gz MSFAAVZSLHGCAF-JMJGKCIBSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[NH+](CC)CC ZINC000531043288 1014546521 /nfs/dbraw/zinc/54/65/21/1014546521.db2.gz WWIOHNWASOVLNW-LJQANCHMSA-N 2 1 399.501 3.860 20 0 GHADMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[NH+](CC)CC ZINC000531043288 1014546528 /nfs/dbraw/zinc/54/65/28/1014546528.db2.gz WWIOHNWASOVLNW-LJQANCHMSA-N 2 1 399.501 3.860 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000468122944 1015299754 /nfs/dbraw/zinc/29/97/54/1015299754.db2.gz YQLUGIRGVNOQRB-WZONZLPQSA-N 2 1 386.499 3.812 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC001154465843 1032121905 /nfs/dbraw/zinc/12/19/05/1032121905.db2.gz NKKPQWABCCJGDP-YYDVJCTNSA-N 2 1 379.548 3.549 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC001154465843 1032121913 /nfs/dbraw/zinc/12/19/13/1032121913.db2.gz NKKPQWABCCJGDP-YYDVJCTNSA-N 2 1 379.548 3.549 20 0 GHADMP CCc1ccc(CNC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000469765463 1016618046 /nfs/dbraw/zinc/61/80/46/1016618046.db2.gz STSFOPAHGFPLBP-QZTJIDSGSA-N 2 1 399.604 3.673 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)Cc1ccccc1 ZINC001220861603 1032157397 /nfs/dbraw/zinc/15/73/97/1032157397.db2.gz ZJTPHWOAZUVANP-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC001220861603 1032157406 /nfs/dbraw/zinc/15/74/06/1032157406.db2.gz ZJTPHWOAZUVANP-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccccc1 ZINC001220861603 1032157411 /nfs/dbraw/zinc/15/74/11/1032157411.db2.gz ZJTPHWOAZUVANP-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1Cl ZINC001221074763 1032268561 /nfs/dbraw/zinc/26/85/61/1032268561.db2.gz SAQAOECKVJKPKR-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1Cl ZINC001221073847 1032269005 /nfs/dbraw/zinc/26/90/05/1032269005.db2.gz GKYJVGOESHDMNO-CWFSZBLJSA-N 2 1 392.975 3.505 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001221130637 1032298927 /nfs/dbraw/zinc/29/89/27/1032298927.db2.gz AICVRVZEFACELL-QHCPKHFHSA-N 2 1 398.595 3.879 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(F)(F)F)c3c2CC[NH2+]C3)nc1 ZINC001154854616 1032312289 /nfs/dbraw/zinc/31/22/89/1032312289.db2.gz JUJMHMSNPWJQRU-MRXNPFEDSA-N 2 1 393.457 3.869 20 0 GHADMP [NH3+][C@H]1CCC[C@@H](Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001154985905 1032369140 /nfs/dbraw/zinc/36/91/40/1032369140.db2.gz DYLHXJXAYYTOEN-LSDHHAIUSA-N 2 1 385.581 3.848 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CCC[NH2+]C[C@H]3C)c2c1C ZINC001155034526 1032388959 /nfs/dbraw/zinc/38/89/59/1032388959.db2.gz WXZRDNAHMJTONZ-PBHICJAKSA-N 2 1 387.597 3.952 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001221445329 1032418935 /nfs/dbraw/zinc/41/89/35/1032418935.db2.gz FYMSEOVYEZPAEI-LEWJYISDSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001221465151 1032426665 /nfs/dbraw/zinc/42/66/65/1032426665.db2.gz ORVXQHFAOMFEJW-BGYRXZFFSA-N 2 1 394.648 3.752 20 0 GHADMP CC(C)c1cncnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155364680 1032520952 /nfs/dbraw/zinc/52/09/52/1032520952.db2.gz UVDCJGHOCASRMX-FQEVSTJZSA-N 2 1 379.552 3.514 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001221776691 1032532181 /nfs/dbraw/zinc/53/21/81/1032532181.db2.gz ZUAHGFARWAAFRT-YPAWHYETSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001221776690 1032531916 /nfs/dbraw/zinc/53/19/16/1032531916.db2.gz ZUAHGFARWAAFRT-VSKRKVRLSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204271404 1032714663 /nfs/dbraw/zinc/71/46/63/1032714663.db2.gz MDBHBVBSBPURKP-JOCHJYFZSA-N 2 1 383.536 3.764 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000561987258 1018000398 /nfs/dbraw/zinc/00/03/98/1018000398.db2.gz GGSTVEBABHDBCE-UHFFFAOYSA-N 2 1 393.531 3.592 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CO[C@@H]1CCCc2ccccc21 ZINC000563515172 1018923114 /nfs/dbraw/zinc/92/31/14/1018923114.db2.gz LMSOXBLCOADURV-ILBGXUMGSA-N 2 1 394.559 3.696 20 0 GHADMP CC[C@@]1(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CCC[NH2+]1 ZINC000567236172 1019277215 /nfs/dbraw/zinc/27/72/15/1019277215.db2.gz UCINOEKODXIFPH-FQEVSTJZSA-N 2 1 397.485 3.660 20 0 GHADMP COc1ccc([C@H](C[NH3+])CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000578196783 1020339711 /nfs/dbraw/zinc/33/97/11/1020339711.db2.gz SXARDDRJDHCOHS-UEVCKROQSA-N 2 1 381.564 3.722 20 0 GHADMP COc1ccc2cc(C[N@H+]3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001204516230 1032943546 /nfs/dbraw/zinc/94/35/46/1032943546.db2.gz JSHKSNNGGDOROC-PKTZIBPZSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001204516230 1032943551 /nfs/dbraw/zinc/94/35/51/1032943551.db2.gz JSHKSNNGGDOROC-PKTZIBPZSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2cc(C[N@H+]3C[C@H]4CC[NH+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001204516230 1032943557 /nfs/dbraw/zinc/94/35/57/1032943557.db2.gz JSHKSNNGGDOROC-PKTZIBPZSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2cc(C[NH+]3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001204516230 1032943561 /nfs/dbraw/zinc/94/35/61/1032943561.db2.gz JSHKSNNGGDOROC-PKTZIBPZSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc2cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)ccc2c1 ZINC001204516230 1032943564 /nfs/dbraw/zinc/94/35/64/1032943564.db2.gz JSHKSNNGGDOROC-PKTZIBPZSA-N 2 1 390.531 3.536 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000648778901 1021156266 /nfs/dbraw/zinc/15/62/66/1021156266.db2.gz SJQVUWORFNMFKX-XSLAUPDRSA-N 2 1 380.536 3.708 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000648778901 1021156271 /nfs/dbraw/zinc/15/62/71/1021156271.db2.gz SJQVUWORFNMFKX-XSLAUPDRSA-N 2 1 380.536 3.708 20 0 GHADMP Oc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)c21 ZINC001140232852 1021205374 /nfs/dbraw/zinc/20/53/74/1021205374.db2.gz WOVQWZACMKFYBC-UHFFFAOYSA-N 2 1 391.515 3.741 20 0 GHADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000834526295 1021246809 /nfs/dbraw/zinc/24/68/09/1021246809.db2.gz GNKBSKBFSAZVOQ-MLDBQTBOSA-N 2 1 380.532 3.761 20 0 GHADMP Clc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000834586036 1021283106 /nfs/dbraw/zinc/28/31/06/1021283106.db2.gz XTNGBHPOMDLEMQ-HJNYFJLDSA-N 2 1 392.971 3.663 20 0 GHADMP C[NH+](C)CCCN1CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC001140296385 1021336739 /nfs/dbraw/zinc/33/67/39/1021336739.db2.gz JANWPMXUJKAQPK-UHFFFAOYSA-N 2 1 378.973 3.533 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1F ZINC001204561791 1032973263 /nfs/dbraw/zinc/97/32/63/1032973263.db2.gz UVLGBHCQDCESIH-VCOUNFBDSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1F ZINC001204561791 1032973269 /nfs/dbraw/zinc/97/32/69/1032973269.db2.gz UVLGBHCQDCESIH-VCOUNFBDSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1F ZINC001204561791 1032973272 /nfs/dbraw/zinc/97/32/72/1032973272.db2.gz UVLGBHCQDCESIH-VCOUNFBDSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1F ZINC001204561791 1032973276 /nfs/dbraw/zinc/97/32/76/1032973276.db2.gz UVLGBHCQDCESIH-VCOUNFBDSA-N 2 1 383.511 3.962 20 0 GHADMP C[NH+](C)Cc1cc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)ccc1Br ZINC001228545007 1032980032 /nfs/dbraw/zinc/98/00/32/1032980032.db2.gz CYKIFEMGTRUWPO-QAQDUYKDSA-N 2 1 397.357 3.533 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834890793 1021626264 /nfs/dbraw/zinc/62/62/64/1021626264.db2.gz FNPSRVOWZJHVHX-UXDRXVOSSA-N 2 1 388.556 3.691 20 0 GHADMP CN(C(=O)c1cc2ccsc2[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000677291115 1021814132 /nfs/dbraw/zinc/81/41/32/1021814132.db2.gz UJSDZXBYJKFGAC-OALUTQOASA-N 2 1 388.581 3.639 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000678285008 1021915248 /nfs/dbraw/zinc/91/52/48/1021915248.db2.gz LIDSARYLARXWPR-HXUWFJFHSA-N 2 1 390.959 3.518 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140654630 1022172037 /nfs/dbraw/zinc/17/20/37/1022172037.db2.gz SVNKDKUMFQEHON-UHFFFAOYSA-N 2 1 380.532 3.746 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742669 1033059989 /nfs/dbraw/zinc/05/99/89/1033059989.db2.gz QGFIGCPQINHZOT-UHFFFAOYSA-N 2 1 382.346 3.597 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742669 1033060010 /nfs/dbraw/zinc/06/00/10/1033060010.db2.gz QGFIGCPQINHZOT-UHFFFAOYSA-N 2 1 382.346 3.597 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc3cc[nH]cc1-3)CC2 ZINC001140801357 1022569380 /nfs/dbraw/zinc/56/93/80/1022569380.db2.gz KRRKRVGENIMHPH-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140801357 1022569388 /nfs/dbraw/zinc/56/93/88/1022569388.db2.gz KRRKRVGENIMHPH-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140801357 1022569397 /nfs/dbraw/zinc/56/93/97/1022569397.db2.gz KRRKRVGENIMHPH-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP CC(C)[NH+]1CCC(CNc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001156495749 1033065138 /nfs/dbraw/zinc/06/51/38/1033065138.db2.gz LKRLJRUERBQVMB-UHFFFAOYSA-N 2 1 379.552 3.567 20 0 GHADMP CC(C)[NH+]1CCC(CNc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001156495749 1033065151 /nfs/dbraw/zinc/06/51/51/1033065151.db2.gz LKRLJRUERBQVMB-UHFFFAOYSA-N 2 1 379.552 3.567 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001140803512 1022572965 /nfs/dbraw/zinc/57/29/65/1022572965.db2.gz ROPRGHOORSHBRV-XMMPIXPASA-N 2 1 397.482 3.694 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001140803512 1022572966 /nfs/dbraw/zinc/57/29/66/1022572966.db2.gz ROPRGHOORSHBRV-XMMPIXPASA-N 2 1 397.482 3.694 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001140803710 1022573910 /nfs/dbraw/zinc/57/39/10/1022573910.db2.gz SXLIZJJXFHTUOY-LJQANCHMSA-N 2 1 392.503 3.656 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3cccc4c3OCC[C@@H]4[NH+](C)C)cc2)CC1 ZINC001204758606 1033072816 /nfs/dbraw/zinc/07/28/16/1033072816.db2.gz GSIODURDYZHEOV-QFIPXVFZSA-N 2 1 380.536 3.563 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001228808111 1033110041 /nfs/dbraw/zinc/11/00/41/1033110041.db2.gz ZDDMKJSUWZRRTA-FPOVZHCZSA-N 2 1 378.605 3.593 20 0 GHADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)c1 ZINC001204849365 1033119845 /nfs/dbraw/zinc/11/98/45/1033119845.db2.gz ZCKBNNVUKRTJBJ-JOCHJYFZSA-N 2 1 375.520 3.842 20 0 GHADMP CC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001204869575 1033134793 /nfs/dbraw/zinc/13/47/93/1033134793.db2.gz DWCHIGOZPYMLEQ-FQEVSTJZSA-N 2 1 381.564 3.554 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nc3ccccc3n2CC)CC1 ZINC000756115023 1023526555 /nfs/dbraw/zinc/52/65/55/1023526555.db2.gz BBQIHLILYDZQSI-UHFFFAOYSA-N 2 1 391.563 3.878 20 0 GHADMP COc1cc(F)c(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1OC ZINC001141283575 1024397103 /nfs/dbraw/zinc/39/71/03/1024397103.db2.gz SHPUSXABYIAGCV-UHFFFAOYSA-N 2 1 384.495 3.941 20 0 GHADMP O=C1CC[C@@H](C[N@H+]2CCCCC3(C2)CCC[NH+](Cc2ccccc2)CCC3)N1 ZINC001202820955 1024731104 /nfs/dbraw/zinc/73/11/04/1024731104.db2.gz GMXPEHUNLJVPHV-QFIPXVFZSA-N 2 1 383.580 3.814 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001138486304 1024916641 /nfs/dbraw/zinc/91/66/41/1024916641.db2.gz MYGFZKRKSVSPTO-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)s1 ZINC001138524331 1024963696 /nfs/dbraw/zinc/96/36/96/1024963696.db2.gz KHIYPYZITJQSLJ-LQWHRVPQSA-N 2 1 387.597 3.666 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)s1 ZINC001138524331 1024963702 /nfs/dbraw/zinc/96/37/02/1024963702.db2.gz KHIYPYZITJQSLJ-LQWHRVPQSA-N 2 1 387.597 3.666 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)s1 ZINC001138524331 1024963704 /nfs/dbraw/zinc/96/37/04/1024963704.db2.gz KHIYPYZITJQSLJ-LQWHRVPQSA-N 2 1 387.597 3.666 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)s1 ZINC001138524331 1024963707 /nfs/dbraw/zinc/96/37/07/1024963707.db2.gz KHIYPYZITJQSLJ-LQWHRVPQSA-N 2 1 387.597 3.666 20 0 GHADMP Cc1nccn1-c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138542684 1024985108 /nfs/dbraw/zinc/98/51/08/1024985108.db2.gz IUIMWPBNKKHOMJ-PKTZIBPZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1nccn1-c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138542684 1024985110 /nfs/dbraw/zinc/98/51/10/1024985110.db2.gz IUIMWPBNKKHOMJ-PKTZIBPZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1nccn1-c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138542684 1024985115 /nfs/dbraw/zinc/98/51/15/1024985115.db2.gz IUIMWPBNKKHOMJ-PKTZIBPZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1nccn1-c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001138542684 1024985119 /nfs/dbraw/zinc/98/51/19/1024985119.db2.gz IUIMWPBNKKHOMJ-PKTZIBPZSA-N 2 1 387.531 3.530 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001138548849 1024995668 /nfs/dbraw/zinc/99/56/68/1024995668.db2.gz IDWWYHUXLDJLBK-GOSISDBHSA-N 2 1 392.551 3.794 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc1 ZINC001138548849 1024995675 /nfs/dbraw/zinc/99/56/75/1024995675.db2.gz IDWWYHUXLDJLBK-GOSISDBHSA-N 2 1 392.551 3.794 20 0 GHADMP CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138549455 1024997255 /nfs/dbraw/zinc/99/72/55/1024997255.db2.gz PYGXAHJAKJBGTE-OAQYLSRUSA-N 2 1 383.536 3.836 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cc1 ZINC001138551513 1025004314 /nfs/dbraw/zinc/00/43/14/1025004314.db2.gz JPCHUUHZSGLGFH-LJQANCHMSA-N 2 1 390.462 3.550 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cc1 ZINC001138551513 1025004326 /nfs/dbraw/zinc/00/43/26/1025004326.db2.gz JPCHUUHZSGLGFH-LJQANCHMSA-N 2 1 390.462 3.550 20 0 GHADMP c1ccc(N2CCCC2)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001138610789 1025101970 /nfs/dbraw/zinc/10/19/70/1025101970.db2.gz PYPSQKKLDAORBM-GGAORHGYSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(N2CCCC2)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001138610789 1025101977 /nfs/dbraw/zinc/10/19/77/1025101977.db2.gz PYPSQKKLDAORBM-GGAORHGYSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(N2CCCC2)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001138610789 1025101983 /nfs/dbraw/zinc/10/19/83/1025101983.db2.gz PYPSQKKLDAORBM-GGAORHGYSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(N2CCCC2)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001138610789 1025101992 /nfs/dbraw/zinc/10/19/92/1025101992.db2.gz PYPSQKKLDAORBM-GGAORHGYSA-N 2 1 376.548 3.636 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1 ZINC001141496127 1025254958 /nfs/dbraw/zinc/25/49/58/1025254958.db2.gz NLZINBFZXHNKHW-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP FC(F)Oc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001138910202 1025568166 /nfs/dbraw/zinc/56/81/66/1025568166.db2.gz SNSFBSNNKRVPDQ-UHFFFAOYSA-N 2 1 392.446 3.748 20 0 GHADMP CCc1nc(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)cc(C)[nH+]1 ZINC001162056241 1025572377 /nfs/dbraw/zinc/57/23/77/1025572377.db2.gz CVKXYSCOHNYGCJ-UHFFFAOYSA-N 2 1 378.442 3.907 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC001138920511 1025585679 /nfs/dbraw/zinc/58/56/79/1025585679.db2.gz TWBOPTODXNXDLI-UHFFFAOYSA-N 2 1 391.471 3.841 20 0 GHADMP Cc1c[nH+]c(NCCCP(CCC[NH3+])c2ccccc2)nc1NCC1CC1 ZINC001162464034 1025756177 /nfs/dbraw/zinc/75/61/77/1025756177.db2.gz JQZJCJCSFIGZPE-UHFFFAOYSA-N 2 1 385.496 3.565 20 0 GHADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1OC ZINC001139106765 1025914617 /nfs/dbraw/zinc/91/46/17/1025914617.db2.gz PVQNJKDYJJXTPJ-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H](F)C1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001162852509 1025939750 /nfs/dbraw/zinc/93/97/50/1025939750.db2.gz BWEKBGQPBXKBPL-KRWDZBQOSA-N 2 1 379.545 3.637 20 0 GHADMP CCn1ccc2c1cccc2C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001139154462 1025974274 /nfs/dbraw/zinc/97/42/74/1025974274.db2.gz SZQIDUZJKRWRHC-URXFXBBRSA-N 2 1 381.564 3.842 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cncc(C4CC4)c3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940420 1025976343 /nfs/dbraw/zinc/97/63/43/1025976343.db2.gz DGGIIIGYBLSMES-JOCHJYFZSA-N 2 1 376.548 3.873 20 0 GHADMP Fc1c[nH]c2ncc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc12 ZINC001162940883 1025977492 /nfs/dbraw/zinc/97/74/92/1025977492.db2.gz OGLFXVNJPQOVFB-SFHVURJKSA-N 2 1 393.510 3.616 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H](NCc2cccc(C(=O)C(F)(F)F)c2)[C@@H](C)C1 ZINC000839561896 1026060998 /nfs/dbraw/zinc/06/09/98/1026060998.db2.gz REKWARCWWQUUDW-MAUKXSAKSA-N 2 1 386.458 3.658 20 0 GHADMP c1ccc(C[N@@H+]2Cc3ccc(NC[C@@H]4CO[C@]5(C4)CCC[NH2+]C5)cc3C2)cc1 ZINC001163290559 1026128589 /nfs/dbraw/zinc/12/85/89/1026128589.db2.gz JGOABCHKQFHQKT-YKSBVNFPSA-N 2 1 377.532 3.773 20 0 GHADMP COc1cccc([C@@H](C[NH3+])Nc2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001163305250 1026132511 /nfs/dbraw/zinc/13/25/11/1026132511.db2.gz CSFGKQSHJYXAIO-HSZRJFAPSA-N 2 1 388.515 3.760 20 0 GHADMP CC1(C)CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001461066728 1069373141 /nfs/dbraw/zinc/37/31/41/1069373141.db2.gz KJYOUGGQYZLBIY-HXUWFJFHSA-N 2 1 387.568 3.653 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)cc2)cn1 ZINC001139359907 1026232394 /nfs/dbraw/zinc/23/23/94/1026232394.db2.gz NDEOOUCSSKWRDU-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC001163707134 1026289967 /nfs/dbraw/zinc/28/99/67/1026289967.db2.gz YNYBPBTYXWYGHP-NSHDSACASA-N 2 1 397.283 3.547 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(Br)c(C(F)(F)F)n1 ZINC001163707134 1026289976 /nfs/dbraw/zinc/28/99/76/1026289976.db2.gz YNYBPBTYXWYGHP-NSHDSACASA-N 2 1 397.283 3.547 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001139423347 1026294207 /nfs/dbraw/zinc/29/42/07/1026294207.db2.gz DFYIHBOXNFTUIN-YADHBBJMSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001139423347 1026294217 /nfs/dbraw/zinc/29/42/17/1026294217.db2.gz DFYIHBOXNFTUIN-YADHBBJMSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001139423347 1026294226 /nfs/dbraw/zinc/29/42/26/1026294226.db2.gz DFYIHBOXNFTUIN-YADHBBJMSA-N 2 1 387.531 3.611 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC[NH+](Cc3ccncc3)CC2)nc1 ZINC001163828732 1026330620 /nfs/dbraw/zinc/33/06/20/1026330620.db2.gz PIHVTCFAFJBBOI-QFIPXVFZSA-N 2 1 379.552 3.736 20 0 GHADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[N@H+](Cc3ccncc3)CC2)nc1 ZINC001163828732 1026330635 /nfs/dbraw/zinc/33/06/35/1026330635.db2.gz PIHVTCFAFJBBOI-QFIPXVFZSA-N 2 1 379.552 3.736 20 0 GHADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC[N@@H+](Cc3ccncc3)CC2)nc1 ZINC001163828732 1026330647 /nfs/dbraw/zinc/33/06/47/1026330647.db2.gz PIHVTCFAFJBBOI-QFIPXVFZSA-N 2 1 379.552 3.736 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CC[C@@H]4CCO[C@H]4C3)CC2)cc1 ZINC001139512958 1026367642 /nfs/dbraw/zinc/36/76/42/1026367642.db2.gz AIPBDKNRKILTPO-RDGATRHJSA-N 2 1 391.559 3.620 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001139513873 1026369019 /nfs/dbraw/zinc/36/90/19/1026369019.db2.gz CRIPVINEOOYCSG-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC001139513873 1026369028 /nfs/dbraw/zinc/36/90/28/1026369028.db2.gz CRIPVINEOOYCSG-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP CO[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139515543 1026372893 /nfs/dbraw/zinc/37/28/93/1026372893.db2.gz QZLBRVLVLSXQSG-QHCPKHFHSA-N 2 1 379.548 3.620 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1CO ZINC001139515716 1026373222 /nfs/dbraw/zinc/37/32/22/1026373222.db2.gz WBMWWOVLAHYWCD-SQJMNOBHSA-N 2 1 393.575 3.602 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139562329 1026432684 /nfs/dbraw/zinc/43/26/84/1026432684.db2.gz RZJHQDGCYJDHPW-OAQYLSRUSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccn1)CC2 ZINC001139562329 1026432690 /nfs/dbraw/zinc/43/26/90/1026432690.db2.gz RZJHQDGCYJDHPW-OAQYLSRUSA-N 2 1 385.939 3.991 20 0 GHADMP CCOC(CSc1ccccc1NCC1([NH+](C)C)CC[NH+](C)CC1)OCC ZINC001164212773 1026454518 /nfs/dbraw/zinc/45/45/18/1026454518.db2.gz CBDBURCYZCTDPC-UHFFFAOYSA-N 2 1 395.613 3.616 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1CC ZINC001139620575 1026488475 /nfs/dbraw/zinc/48/84/75/1026488475.db2.gz WYTMNACITDJPDQ-VWNXMTODSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1CC ZINC001139620575 1026488480 /nfs/dbraw/zinc/48/84/80/1026488480.db2.gz WYTMNACITDJPDQ-VWNXMTODSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc1CC ZINC001139620575 1026488485 /nfs/dbraw/zinc/48/84/85/1026488485.db2.gz WYTMNACITDJPDQ-VWNXMTODSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc1CC ZINC001139620575 1026488489 /nfs/dbraw/zinc/48/84/89/1026488489.db2.gz WYTMNACITDJPDQ-VWNXMTODSA-N 2 1 386.580 3.828 20 0 GHADMP C[C@H]1CC[C@H](C[NH3+])CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164474521 1026520316 /nfs/dbraw/zinc/52/03/16/1026520316.db2.gz RLSOTTBULHNFRA-JKSUJKDBSA-N 2 1 399.608 3.730 20 0 GHADMP Cc1cc(O)cc(C)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001139712300 1026556283 /nfs/dbraw/zinc/55/62/83/1026556283.db2.gz FGTGLEZRAFIJDO-DPLHUUCSSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001139712300 1026556287 /nfs/dbraw/zinc/55/62/87/1026556287.db2.gz FGTGLEZRAFIJDO-DPLHUUCSSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001139712300 1026556289 /nfs/dbraw/zinc/55/62/89/1026556289.db2.gz FGTGLEZRAFIJDO-DPLHUUCSSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001139712503 1026556417 /nfs/dbraw/zinc/55/64/17/1026556417.db2.gz INSQYPDILAIFND-QTEQDKRBSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001139712503 1026556421 /nfs/dbraw/zinc/55/64/21/1026556421.db2.gz INSQYPDILAIFND-QTEQDKRBSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(O)cc(C)c1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001139712503 1026556428 /nfs/dbraw/zinc/55/64/28/1026556428.db2.gz INSQYPDILAIFND-QTEQDKRBSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(O)cc(C)c1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001139712503 1026556432 /nfs/dbraw/zinc/55/64/32/1026556432.db2.gz INSQYPDILAIFND-QTEQDKRBSA-N 2 1 382.552 3.579 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC([NH3+])CC4)c23)C1 ZINC001165064639 1026582903 /nfs/dbraw/zinc/58/29/03/1026582903.db2.gz POPNSJISMWIJRK-HNNXBMFYSA-N 2 1 399.608 3.730 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3ccnc3[C@H]3CCC[NH2+]C3)c2c1C ZINC001165142545 1026632160 /nfs/dbraw/zinc/63/21/60/1026632160.db2.gz AHJGAWQUDUVXEU-INIZCTEOSA-N 2 1 396.564 3.557 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001165241856 1026676936 /nfs/dbraw/zinc/67/69/36/1026676936.db2.gz FXUAJKQXKJIASX-NRFANRHFSA-N 2 1 387.597 3.730 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@]4(C3)CCC[NH2+]C4)c2c1C ZINC001165244112 1026678096 /nfs/dbraw/zinc/67/80/96/1026678096.db2.gz RLYUWTDDILHPKU-JOCHJYFZSA-N 2 1 399.608 3.874 20 0 GHADMP c1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc2c1CCC21CC[NH2+]CC1 ZINC001165384011 1026715839 /nfs/dbraw/zinc/71/58/39/1026715839.db2.gz JWIOYCQUKINACC-UHFFFAOYSA-N 2 1 391.559 3.698 20 0 GHADMP Clc1cccc(Cl)c1CSCCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001165584078 1026767299 /nfs/dbraw/zinc/76/72/99/1026767299.db2.gz LZOCUMZGXSQONC-UHFFFAOYSA-N 2 1 398.363 3.538 20 0 GHADMP COc1ccc2n[nH]c(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069514 1026848919 /nfs/dbraw/zinc/84/89/19/1026848919.db2.gz XLUYVWUQSMLTFI-QHCPKHFHSA-N 2 1 376.504 3.670 20 0 GHADMP COc1ccc2[nH]nc(CN3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069514 1026848928 /nfs/dbraw/zinc/84/89/28/1026848928.db2.gz XLUYVWUQSMLTFI-QHCPKHFHSA-N 2 1 376.504 3.670 20 0 GHADMP COc1ccc2[nH]nc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2c1 ZINC001140069514 1026848934 /nfs/dbraw/zinc/84/89/34/1026848934.db2.gz XLUYVWUQSMLTFI-QHCPKHFHSA-N 2 1 376.504 3.670 20 0 GHADMP Cc1cccc2sc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)c21 ZINC001166247757 1026952872 /nfs/dbraw/zinc/95/28/72/1026952872.db2.gz JPPGOOXNALFSSZ-AWEZNQCLSA-N 2 1 381.973 3.865 20 0 GHADMP Cc1cccc2sc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)c21 ZINC001166247757 1026952875 /nfs/dbraw/zinc/95/28/75/1026952875.db2.gz JPPGOOXNALFSSZ-AWEZNQCLSA-N 2 1 381.973 3.865 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@]2(CCCC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209729533 1027125377 /nfs/dbraw/zinc/12/53/77/1027125377.db2.gz NIKSZQZHLMYZQY-JOCHJYFZSA-N 2 1 388.556 3.887 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@]2(CCCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209729533 1027125387 /nfs/dbraw/zinc/12/53/87/1027125387.db2.gz NIKSZQZHLMYZQY-JOCHJYFZSA-N 2 1 388.556 3.887 20 0 GHADMP Cc1cccn2cc(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc12 ZINC001209738787 1027131168 /nfs/dbraw/zinc/13/11/68/1027131168.db2.gz KICUPDZVKRLCKB-UHFFFAOYSA-N 2 1 389.547 3.914 20 0 GHADMP CN(C)c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209777854 1027184472 /nfs/dbraw/zinc/18/44/72/1027184472.db2.gz KPFOZKOFPDALQN-NGYIFUPDSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209777854 1027184491 /nfs/dbraw/zinc/18/44/91/1027184491.db2.gz KPFOZKOFPDALQN-NGYIFUPDSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209777854 1027184511 /nfs/dbraw/zinc/18/45/11/1027184511.db2.gz KPFOZKOFPDALQN-NGYIFUPDSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1ccccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209777854 1027184522 /nfs/dbraw/zinc/18/45/22/1027184522.db2.gz KPFOZKOFPDALQN-NGYIFUPDSA-N 2 1 378.564 3.880 20 0 GHADMP CCc1nc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)[nH]1 ZINC001203241168 1027245668 /nfs/dbraw/zinc/24/56/68/1027245668.db2.gz RMHHIQUFXSOVMX-UHFFFAOYSA-N 2 1 382.552 3.777 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C(C)(C)C ZINC001461228456 1069452013 /nfs/dbraw/zinc/45/20/13/1069452013.db2.gz CUEGIKIRCMBFKD-FYYLOGMGSA-N 2 1 396.575 3.965 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C(C)(C)C ZINC001461228456 1069452015 /nfs/dbraw/zinc/45/20/15/1069452015.db2.gz CUEGIKIRCMBFKD-FYYLOGMGSA-N 2 1 396.575 3.965 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(C)c1 ZINC001203734568 1027559905 /nfs/dbraw/zinc/55/99/05/1027559905.db2.gz WNJCSCAFDDQFKK-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(C)c1 ZINC001203734568 1027559912 /nfs/dbraw/zinc/55/99/12/1027559912.db2.gz WNJCSCAFDDQFKK-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(C)c1 ZINC001203734568 1027559919 /nfs/dbraw/zinc/55/99/19/1027559919.db2.gz WNJCSCAFDDQFKK-SGNDLWITSA-N 2 1 378.564 3.875 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1O ZINC001203868486 1027671046 /nfs/dbraw/zinc/67/10/46/1027671046.db2.gz UKMCYYQHUYNGRN-UHFFFAOYSA-N 2 1 381.520 3.672 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC001210837314 1027672301 /nfs/dbraw/zinc/67/23/01/1027672301.db2.gz PTEJVBKTOCLJON-OYRHEFFESA-N 2 1 392.632 3.842 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001461273732 1069474649 /nfs/dbraw/zinc/47/46/49/1069474649.db2.gz PBGAUHCURHMWDR-IBGZPJMESA-N 2 1 378.520 3.881 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001461273732 1069474655 /nfs/dbraw/zinc/47/46/55/1069474655.db2.gz PBGAUHCURHMWDR-IBGZPJMESA-N 2 1 378.520 3.881 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c2ccccc12 ZINC001203992712 1027790672 /nfs/dbraw/zinc/79/06/72/1027790672.db2.gz AGPBZEZNNFXXGA-CTNGQTDRSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c2ccccc12 ZINC001203992712 1027790687 /nfs/dbraw/zinc/79/06/87/1027790687.db2.gz AGPBZEZNNFXXGA-CTNGQTDRSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c2ccccc12 ZINC001203992712 1027790702 /nfs/dbraw/zinc/79/07/02/1027790702.db2.gz AGPBZEZNNFXXGA-CTNGQTDRSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c2ccccc12 ZINC001203992712 1027790716 /nfs/dbraw/zinc/79/07/16/1027790716.db2.gz AGPBZEZNNFXXGA-CTNGQTDRSA-N 2 1 390.531 3.536 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c2ccccc12 ZINC001203992712 1027790732 /nfs/dbraw/zinc/79/07/32/1027790732.db2.gz AGPBZEZNNFXXGA-CTNGQTDRSA-N 2 1 390.531 3.536 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983477 1027810620 /nfs/dbraw/zinc/81/06/20/1027810620.db2.gz KXJLUMPHWUIBDC-QPPBQGQZSA-N 2 1 395.547 3.830 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983477 1027810628 /nfs/dbraw/zinc/81/06/28/1027810628.db2.gz KXJLUMPHWUIBDC-QPPBQGQZSA-N 2 1 395.547 3.830 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983477 1027810643 /nfs/dbraw/zinc/81/06/43/1027810643.db2.gz KXJLUMPHWUIBDC-QPPBQGQZSA-N 2 1 395.547 3.830 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983477 1027810664 /nfs/dbraw/zinc/81/06/64/1027810664.db2.gz KXJLUMPHWUIBDC-QPPBQGQZSA-N 2 1 395.547 3.830 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(C)onc1-c1ccccc1)C2 ZINC001141983477 1027810683 /nfs/dbraw/zinc/81/06/83/1027810683.db2.gz KXJLUMPHWUIBDC-QPPBQGQZSA-N 2 1 395.547 3.830 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)s1 ZINC001204032444 1027823998 /nfs/dbraw/zinc/82/39/98/1027823998.db2.gz WXHJOLZQKSOOCC-HMXCVIKNSA-N 2 1 378.582 3.537 20 0 GHADMP c1[nH]c2ccccc2c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001204047112 1027836323 /nfs/dbraw/zinc/83/63/23/1027836323.db2.gz UBVFRPMLACJYRK-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP COc1ccc(OC)c(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c1 ZINC001204072268 1027852406 /nfs/dbraw/zinc/85/24/06/1027852406.db2.gz VCBWRNBYQVBGHD-UHFFFAOYSA-N 2 1 392.503 3.616 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC001211277438 1027883295 /nfs/dbraw/zinc/88/32/95/1027883295.db2.gz RRPOUPVNANZYDW-SJBKTWHCSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC001211277438 1027883314 /nfs/dbraw/zinc/88/33/14/1027883314.db2.gz RRPOUPVNANZYDW-SJBKTWHCSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001211277438 1027883323 /nfs/dbraw/zinc/88/33/23/1027883323.db2.gz RRPOUPVNANZYDW-SJBKTWHCSA-N 2 1 388.600 3.705 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1O ZINC001204126680 1027899093 /nfs/dbraw/zinc/89/90/93/1027899093.db2.gz LMHJCGDUVBPTAA-LEWJYISDSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1O ZINC001204126680 1027899113 /nfs/dbraw/zinc/89/91/13/1027899113.db2.gz LMHJCGDUVBPTAA-LEWJYISDSA-N 2 1 396.531 3.753 20 0 GHADMP CSc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001142026005 1027912254 /nfs/dbraw/zinc/91/22/54/1027912254.db2.gz VXOSLXRSPZXXBH-IEBWSBKVSA-N 2 1 389.590 3.588 20 0 GHADMP CSc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001142026005 1027912262 /nfs/dbraw/zinc/91/22/62/1027912262.db2.gz VXOSLXRSPZXXBH-IEBWSBKVSA-N 2 1 389.590 3.588 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001142026005 1027912266 /nfs/dbraw/zinc/91/22/66/1027912266.db2.gz VXOSLXRSPZXXBH-IEBWSBKVSA-N 2 1 389.590 3.588 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC001142026005 1027912272 /nfs/dbraw/zinc/91/22/72/1027912272.db2.gz VXOSLXRSPZXXBH-IEBWSBKVSA-N 2 1 389.590 3.588 20 0 GHADMP CN(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000841801853 1028949663 /nfs/dbraw/zinc/94/96/63/1028949663.db2.gz ZKOHGXUELGWPJO-SOAGJPPSSA-N 2 1 392.975 3.606 20 0 GHADMP CN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000841801853 1028949670 /nfs/dbraw/zinc/94/96/70/1028949670.db2.gz ZKOHGXUELGWPJO-SOAGJPPSSA-N 2 1 392.975 3.606 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183099880 1029240865 /nfs/dbraw/zinc/24/08/65/1029240865.db2.gz IWOQUABQHVTPOL-CEXWTWQISA-N 2 1 379.589 3.876 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679468 1029251826 /nfs/dbraw/zinc/25/18/26/1029251826.db2.gz GFZUCCPWNPQBDA-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679468 1029251840 /nfs/dbraw/zinc/25/18/40/1029251840.db2.gz GFZUCCPWNPQBDA-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679468 1029251853 /nfs/dbraw/zinc/25/18/53/1029251853.db2.gz GFZUCCPWNPQBDA-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP c1nc2c(cccc2C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)[nH]1 ZINC001142680300 1029256297 /nfs/dbraw/zinc/25/62/97/1029256297.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2c(cccc2C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)[nH]1 ZINC001142680300 1029256316 /nfs/dbraw/zinc/25/63/16/1029256316.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2c(cccc2C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)[nH]1 ZINC001142680300 1029256336 /nfs/dbraw/zinc/25/63/36/1029256336.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)c2[nH]1 ZINC001142680300 1029256351 /nfs/dbraw/zinc/25/63/51/1029256351.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)c2[nH]1 ZINC001142680300 1029256364 /nfs/dbraw/zinc/25/63/64/1029256364.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)c2[nH]1 ZINC001142680300 1029256381 /nfs/dbraw/zinc/25/63/81/1029256381.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1nc2cccc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)c2[nH]1 ZINC001142680300 1029256390 /nfs/dbraw/zinc/25/63/90/1029256390.db2.gz XFALQVNQMWCUIK-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP COC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842699094 1029508135 /nfs/dbraw/zinc/50/81/35/1029508135.db2.gz HYCWRPYIPAPVNF-NQIIRXRSSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842699094 1029508144 /nfs/dbraw/zinc/50/81/44/1029508144.db2.gz HYCWRPYIPAPVNF-NQIIRXRSSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842699096 1029508210 /nfs/dbraw/zinc/50/82/10/1029508210.db2.gz HYCWRPYIPAPVNF-WIYYLYMNSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842699096 1029508217 /nfs/dbraw/zinc/50/82/17/1029508217.db2.gz HYCWRPYIPAPVNF-WIYYLYMNSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699775 1029509125 /nfs/dbraw/zinc/50/91/25/1029509125.db2.gz PZLZHDNCWAKFIF-SESVDKBCSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699775 1029509135 /nfs/dbraw/zinc/50/91/35/1029509135.db2.gz PZLZHDNCWAKFIF-SESVDKBCSA-N 2 1 385.552 3.640 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2c1 ZINC000843125342 1029816858 /nfs/dbraw/zinc/81/68/58/1029816858.db2.gz SOLWUVRVBBNGJT-STQMWFEESA-N 2 1 380.355 3.880 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000843128587 1029818606 /nfs/dbraw/zinc/81/86/06/1029818606.db2.gz KKJIJFFPNQQIFE-NNMXDRDESA-N 2 1 391.531 3.508 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000843128587 1029818616 /nfs/dbraw/zinc/81/86/16/1029818616.db2.gz KKJIJFFPNQQIFE-NNMXDRDESA-N 2 1 391.531 3.508 20 0 GHADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4cc5c(cn4)OCCO5)C3)CC2)cc1 ZINC001143069669 1029821763 /nfs/dbraw/zinc/82/17/63/1029821763.db2.gz RUKSKYMWWJAZDV-UHFFFAOYSA-N 2 1 393.531 3.731 20 0 GHADMP CC[N@H+](C)[C@@H](c1nc(-c2ccc(N3CCC([NH3+])CC3)cc2)no1)c1ccccc1 ZINC000843144516 1029827547 /nfs/dbraw/zinc/82/75/47/1029827547.db2.gz ZKXHFSNONDTNDX-OAQYLSRUSA-N 2 1 391.519 3.705 20 0 GHADMP CC[N@@H+](C)[C@@H](c1nc(-c2ccc(N3CCC([NH3+])CC3)cc2)no1)c1ccccc1 ZINC000843144516 1029827553 /nfs/dbraw/zinc/82/75/53/1029827553.db2.gz ZKXHFSNONDTNDX-OAQYLSRUSA-N 2 1 391.519 3.705 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143092328 1029839306 /nfs/dbraw/zinc/83/93/06/1029839306.db2.gz XQDAOBVIJAGSJW-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143092328 1029839311 /nfs/dbraw/zinc/83/93/11/1029839311.db2.gz XQDAOBVIJAGSJW-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143092328 1029839320 /nfs/dbraw/zinc/83/93/20/1029839320.db2.gz XQDAOBVIJAGSJW-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4n[nH]cc43)C[C@@H]21 ZINC001143092328 1029839329 /nfs/dbraw/zinc/83/93/29/1029839329.db2.gz XQDAOBVIJAGSJW-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1F ZINC001143146088 1029867987 /nfs/dbraw/zinc/86/79/87/1029867987.db2.gz WYUJHLJJOHWCNE-AWEZNQCLSA-N 2 1 390.330 3.621 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001222115280 1029969719 /nfs/dbraw/zinc/96/97/19/1029969719.db2.gz NTVQERZUVMTYGV-FQEVSTJZSA-N 2 1 378.605 3.691 20 0 GHADMP c1[nH]c2cc(OCc3ccccc3)ccc2c1C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001222181745 1029991669 /nfs/dbraw/zinc/99/16/69/1029991669.db2.gz XLYXHYMMYBTRGT-UHFFFAOYSA-N 2 1 391.515 3.701 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426572 1029998037 /nfs/dbraw/zinc/99/80/37/1029998037.db2.gz AIHAHSCNVRTDKG-PBASOCQRSA-N 2 1 387.568 3.709 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321213 1030070406 /nfs/dbraw/zinc/07/04/06/1030070406.db2.gz RZIVIALAKYUIBU-QGZVFWFLSA-N 2 1 384.305 3.708 20 0 GHADMP Cc1ccc(I)cc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222321213 1030070395 /nfs/dbraw/zinc/07/03/95/1030070395.db2.gz RZIVIALAKYUIBU-QGZVFWFLSA-N 2 1 384.305 3.708 20 0 GHADMP Fc1cccc(COc2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)c1 ZINC001222400815 1030108172 /nfs/dbraw/zinc/10/81/72/1030108172.db2.gz IYPZFFQZBDZDIF-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC001149519405 1030203981 /nfs/dbraw/zinc/20/39/81/1030203981.db2.gz QFEMRXOJHXQHSU-VXKWHMMOSA-N 2 1 383.580 3.764 20 0 GHADMP Nc1ccc(F)cc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591005 1030218919 /nfs/dbraw/zinc/21/89/19/1030218919.db2.gz QLQITEPFSROZID-NRFANRHFSA-N 2 1 383.511 3.711 20 0 GHADMP Nc1ccc(F)cc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591005 1030218932 /nfs/dbraw/zinc/21/89/32/1030218932.db2.gz QLQITEPFSROZID-NRFANRHFSA-N 2 1 383.511 3.711 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)C2)cc1 ZINC001222595675 1030222135 /nfs/dbraw/zinc/22/21/35/1030222135.db2.gz GMOFTVGMSOCDEJ-ISKFKSNPSA-N 2 1 375.560 3.588 20 0 GHADMP Brc1cccc(-c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC001222623153 1030246165 /nfs/dbraw/zinc/24/61/65/1030246165.db2.gz CPJILWLERXCNJB-IYBDPMFKSA-N 2 1 386.337 3.943 20 0 GHADMP CCCOc1ccc(Br)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1F ZINC001222629512 1030249967 /nfs/dbraw/zinc/24/99/67/1030249967.db2.gz KNNIIJZRHWXSBT-OKILXGFUSA-N 2 1 385.321 3.808 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000129866951 1030263991 /nfs/dbraw/zinc/26/39/91/1030263991.db2.gz DMUUFJDVKQLHEW-FQEVSTJZSA-N 2 1 375.582 3.747 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217846938 1030661596 /nfs/dbraw/zinc/66/15/96/1030661596.db2.gz DKIFZKWOJAKAQS-FCHUYYIVSA-N 2 1 386.580 3.853 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)c2)CC[N@H+]1C ZINC001218086668 1030764998 /nfs/dbraw/zinc/76/49/98/1030764998.db2.gz RVTUZHJSMLJZHE-ITRHLMGHSA-N 2 1 398.591 3.842 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H](c2ccccc2)[C@H](C)[NH+]2CCCC2)cc1 ZINC001218189729 1030815801 /nfs/dbraw/zinc/81/58/01/1030815801.db2.gz YIROMBKNMOZGLG-TZYHBYERSA-N 2 1 396.531 3.724 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218247936 1030852205 /nfs/dbraw/zinc/85/22/05/1030852205.db2.gz RRAQWOWCEKJUDY-QHCPKHFHSA-N 2 1 379.548 3.776 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2ccccc2N2CC[NH2+]CC2)C3)cc1 ZINC001218344468 1030904646 /nfs/dbraw/zinc/90/46/46/1030904646.db2.gz YFQKLZNTNFQPAY-KOUNCHBCSA-N 2 1 377.532 3.671 20 0 GHADMP Clc1ccc(C[N@@H+]2CC[C@H](Oc3ccc4c(n3)CC[NH2+]C4)C2)cc1Cl ZINC001218391507 1030916834 /nfs/dbraw/zinc/91/68/34/1030916834.db2.gz VJFJZTLWMZYVCE-HNNXBMFYSA-N 2 1 378.303 3.687 20 0 GHADMP Clc1ccc(C[N@H+]2CC[C@H](Oc3ccc4c(n3)CC[NH2+]C4)C2)cc1Cl ZINC001218391507 1030916842 /nfs/dbraw/zinc/91/68/42/1030916842.db2.gz VJFJZTLWMZYVCE-HNNXBMFYSA-N 2 1 378.303 3.687 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2C[NH2+]CCC2(F)F)c1-3 ZINC001218453723 1030942263 /nfs/dbraw/zinc/94/22/63/1030942263.db2.gz LBQNVBFRUGSLPQ-AEFFLSMTSA-N 2 1 386.442 3.520 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)c2ccccc2)CC1 ZINC001224305313 1030962155 /nfs/dbraw/zinc/96/21/55/1030962155.db2.gz CCTCLCPFXXIEBQ-JOCHJYFZSA-N 2 1 386.584 3.633 20 0 GHADMP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001218713066 1031045190 /nfs/dbraw/zinc/04/51/90/1031045190.db2.gz QNINFQYWLXXICJ-DOTOQJQBSA-N 2 1 388.899 3.603 20 0 GHADMP CC[NH+](CC)[C@H](C)CNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001219418665 1031411173 /nfs/dbraw/zinc/41/11/73/1031411173.db2.gz IMOMVYPRTGJMDA-CQSZACIVSA-N 2 1 389.569 3.742 20 0 GHADMP C[C@H]1[C@H](CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001219589584 1031512257 /nfs/dbraw/zinc/51/22/57/1031512257.db2.gz YPHHIVJXWHAPPU-LBVMUVSTSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)[NH+]1CCc2ccccc2C1 ZINC001225791658 1031608702 /nfs/dbraw/zinc/60/87/02/1031608702.db2.gz KVRDYKRCYOFTIN-AUSIDOKSSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001225791658 1031608713 /nfs/dbraw/zinc/60/87/13/1031608713.db2.gz KVRDYKRCYOFTIN-AUSIDOKSSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001225791658 1031608722 /nfs/dbraw/zinc/60/87/22/1031608722.db2.gz KVRDYKRCYOFTIN-AUSIDOKSSA-N 2 1 398.595 3.530 20 0 GHADMP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001219941315 1031707603 /nfs/dbraw/zinc/70/76/03/1031707603.db2.gz UZUVHYNYNQNBCA-PZJWPPBQSA-N 2 1 399.966 3.628 20 0 GHADMP CC(C)(NC(=O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001220066026 1031763633 /nfs/dbraw/zinc/76/36/33/1031763633.db2.gz NWJMQYFBCXKUHX-OAHLLOKOSA-N 2 1 397.485 3.521 20 0 GHADMP CSc1cccc(Cl)c1C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277106736 1031842221 /nfs/dbraw/zinc/84/22/21/1031842221.db2.gz CLKHZVQHTCZXEM-HXUWFJFHSA-N 2 1 396.000 3.581 20 0 GHADMP CC(C)[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001220610687 1032011623 /nfs/dbraw/zinc/01/16/23/1032011623.db2.gz KUJNHKZKJCFTFJ-SFTDATJTSA-N 2 1 380.621 3.554 20 0 GHADMP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@]1(C)CCC[NH2+]C1 ZINC001156978192 1033353546 /nfs/dbraw/zinc/35/35/46/1033353546.db2.gz ZDLMXHXDYABLIK-JOCHJYFZSA-N 2 1 395.576 3.998 20 0 GHADMP CCOC(=O)N1CC[C@@H]([NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001205457051 1033420172 /nfs/dbraw/zinc/42/01/72/1033420172.db2.gz OYFVAJFDAJHTSK-NFBKMPQASA-N 2 1 387.568 3.745 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001461860076 1069798654 /nfs/dbraw/zinc/79/86/54/1069798654.db2.gz DAQFLGFQBTXSNI-DHIUTWEWSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001461860076 1069798657 /nfs/dbraw/zinc/79/86/57/1069798657.db2.gz DAQFLGFQBTXSNI-DHIUTWEWSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001461860076 1069798659 /nfs/dbraw/zinc/79/86/59/1069798659.db2.gz DAQFLGFQBTXSNI-DHIUTWEWSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001461860076 1069798671 /nfs/dbraw/zinc/79/86/71/1069798671.db2.gz DAQFLGFQBTXSNI-DHIUTWEWSA-N 2 1 378.516 3.960 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)n1 ZINC001157269393 1033502586 /nfs/dbraw/zinc/50/25/86/1033502586.db2.gz BEQDOVQFXFOOJN-SJORKVTESA-N 2 1 387.597 3.680 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CCC[N@@H+](C)[C@H]3C2)n1 ZINC001157269393 1033502594 /nfs/dbraw/zinc/50/25/94/1033502594.db2.gz BEQDOVQFXFOOJN-SJORKVTESA-N 2 1 387.597 3.680 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001229569967 1033562555 /nfs/dbraw/zinc/56/25/55/1033562555.db2.gz PZKZVTASINUDPZ-ONTIZHBOSA-N 2 1 388.600 3.974 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001229569967 1033562559 /nfs/dbraw/zinc/56/25/59/1033562559.db2.gz PZKZVTASINUDPZ-ONTIZHBOSA-N 2 1 388.600 3.974 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001229569967 1033562568 /nfs/dbraw/zinc/56/25/68/1033562568.db2.gz PZKZVTASINUDPZ-ONTIZHBOSA-N 2 1 388.600 3.974 20 0 GHADMP CCN(C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC001229619342 1033597179 /nfs/dbraw/zinc/59/71/79/1033597179.db2.gz FQJTUAYCQHOEDL-VXKWHMMOSA-N 2 1 388.600 3.614 20 0 GHADMP CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@H]3C[C@@H]4CC(=O)C[C@H]3[N@H+]4C)c2C1 ZINC001229647129 1033613493 /nfs/dbraw/zinc/61/34/93/1033613493.db2.gz DOMJYHUNKYKSKL-ZFMISHDWSA-N 2 1 384.564 3.849 20 0 GHADMP C[C@@H](CCNC(=O)N1CC[NH+](C2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC001229796100 1033722114 /nfs/dbraw/zinc/72/21/14/1033722114.db2.gz ZJHGPPPPAGBMAT-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC[C@H]([NH3+])[C@@H]3C)n2)CCC4)CC1 ZINC001157745369 1033750480 /nfs/dbraw/zinc/75/04/80/1033750480.db2.gz NOMBJAWIEFYXDN-RDJZCZTQSA-N 2 1 399.608 3.728 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC[C@H]1F ZINC001206172741 1033752823 /nfs/dbraw/zinc/75/28/23/1033752823.db2.gz BPYNZVVEPSJMII-RTBURBONSA-N 2 1 386.902 3.999 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC[C@H]1F ZINC001206172741 1033752836 /nfs/dbraw/zinc/75/28/36/1033752836.db2.gz BPYNZVVEPSJMII-RTBURBONSA-N 2 1 386.902 3.999 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001206321808 1033795570 /nfs/dbraw/zinc/79/55/70/1033795570.db2.gz WWKHLBFKQNBXFS-NQHRYMMQSA-N 2 1 378.560 3.918 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001206321808 1033795579 /nfs/dbraw/zinc/79/55/79/1033795579.db2.gz WWKHLBFKQNBXFS-NQHRYMMQSA-N 2 1 378.560 3.918 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2c(-c3ccc(F)cc3)c3ccccc3nc2C2CC2)C[C@@H]1O ZINC001206525669 1033889812 /nfs/dbraw/zinc/88/98/12/1033889812.db2.gz YIGGNWDOFNRSNL-JTSKRJEESA-N 2 1 391.490 3.670 20 0 GHADMP COc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc(OC)c1Br ZINC001206599336 1033921266 /nfs/dbraw/zinc/92/12/66/1033921266.db2.gz RKQRTJXNTPQOMH-HNNXBMFYSA-N 2 1 385.346 3.819 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206727922 1033959440 /nfs/dbraw/zinc/95/94/40/1033959440.db2.gz NZMFWEFAQHBRPK-DEOSSOPVSA-N 2 1 394.559 3.982 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001206727922 1033959447 /nfs/dbraw/zinc/95/94/47/1033959447.db2.gz NZMFWEFAQHBRPK-DEOSSOPVSA-N 2 1 394.559 3.982 20 0 GHADMP CCN(c1nc(C[NH+]2CCCCC2)nc2sc(C)c(C)c21)[C@H]1CCC[NH2+]C1 ZINC001158204464 1033963136 /nfs/dbraw/zinc/96/31/36/1033963136.db2.gz GVHOBYMXAXXXHU-KRWDZBQOSA-N 2 1 387.597 3.872 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001206748612 1033967363 /nfs/dbraw/zinc/96/73/63/1033967363.db2.gz IMKNZKVYXIPPFW-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP CSc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)o1 ZINC001206776678 1033978963 /nfs/dbraw/zinc/97/89/63/1033978963.db2.gz DWOMNZVQDLAAFS-IBGZPJMESA-N 2 1 375.538 3.890 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)o1 ZINC001206776678 1033978967 /nfs/dbraw/zinc/97/89/67/1033978967.db2.gz DWOMNZVQDLAAFS-IBGZPJMESA-N 2 1 375.538 3.890 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)o1 ZINC001206776678 1033978973 /nfs/dbraw/zinc/97/89/73/1033978973.db2.gz DWOMNZVQDLAAFS-IBGZPJMESA-N 2 1 375.538 3.890 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)[NH+](CC)CC)cc1 ZINC001230300659 1033984887 /nfs/dbraw/zinc/98/48/87/1033984887.db2.gz YCBAPBVDXNIJHH-XJABCFGWSA-N 2 1 386.584 3.556 20 0 GHADMP COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158261329 1033991743 /nfs/dbraw/zinc/99/17/43/1033991743.db2.gz MCDXHCANYWAHJE-GFCCVEGCSA-N 2 1 395.334 3.552 20 0 GHADMP COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158261329 1033991744 /nfs/dbraw/zinc/99/17/44/1033991744.db2.gz MCDXHCANYWAHJE-GFCCVEGCSA-N 2 1 395.334 3.552 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)CC1 ZINC001206827195 1034009446 /nfs/dbraw/zinc/00/94/46/1034009446.db2.gz JGSRJKFQMCQPON-LJQANCHMSA-N 2 1 391.600 3.878 20 0 GHADMP Cc1nc(CN2CCO[C@@H]3C[N@@H+](CCC4CCCCC4)CC[C@@H]3C2)cs1 ZINC001207263016 1034220417 /nfs/dbraw/zinc/22/04/17/1034220417.db2.gz SCEFMQJMOUHCIZ-TZIWHRDSSA-N 2 1 377.598 3.945 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001207288631 1034239009 /nfs/dbraw/zinc/23/90/09/1034239009.db2.gz BHACLKYROUOJIV-FGZHOGPDSA-N 2 1 399.579 3.840 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001207291742 1034243489 /nfs/dbraw/zinc/24/34/89/1034243489.db2.gz WQSOCOXZVUPVPD-ZEQRLZLVSA-N 2 1 384.564 3.559 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C[C@@H]4CCCN4C(=O)OC(C)(C)C)C[C@H]3C2)cc1 ZINC001207367674 1034308726 /nfs/dbraw/zinc/30/87/26/1034308726.db2.gz RGOIJJRGAMSLPY-VSKRKVRLSA-N 2 1 399.579 3.758 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](C[C@@H]1CC=C(CCCC(C)(C)O)CC1)CC2 ZINC001207406098 1034345559 /nfs/dbraw/zinc/34/55/59/1034345559.db2.gz NIRKAIBSAGFBEW-LJQANCHMSA-N 2 1 377.573 3.784 20 0 GHADMP COc1ccccc1CC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001207455641 1034376421 /nfs/dbraw/zinc/37/64/21/1034376421.db2.gz DTSDFWOOBWWDQA-PMVMPFDFSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001207455641 1034376436 /nfs/dbraw/zinc/37/64/36/1034376436.db2.gz DTSDFWOOBWWDQA-PMVMPFDFSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001207455641 1034376450 /nfs/dbraw/zinc/37/64/50/1034376450.db2.gz DTSDFWOOBWWDQA-PMVMPFDFSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001207455641 1034376463 /nfs/dbraw/zinc/37/64/63/1034376463.db2.gz DTSDFWOOBWWDQA-PMVMPFDFSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1 ZINC001207479845 1034390290 /nfs/dbraw/zinc/39/02/90/1034390290.db2.gz UVIUMWRQJJLVHQ-QHCPKHFHSA-N 2 1 394.559 3.993 20 0 GHADMP C[NH+]1CCC(CC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001207488699 1034394364 /nfs/dbraw/zinc/39/43/64/1034394364.db2.gz OWPNSVUQCWWRLN-IBGZPJMESA-N 2 1 379.589 3.830 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccc(Cl)cc1)C2 ZINC001207597133 1034474600 /nfs/dbraw/zinc/47/46/00/1034474600.db2.gz YUCYPFMLEAWILZ-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207597133 1034474606 /nfs/dbraw/zinc/47/46/06/1034474606.db2.gz YUCYPFMLEAWILZ-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCc1ccc(Cl)cc1)C2 ZINC001207597133 1034474614 /nfs/dbraw/zinc/47/46/14/1034474614.db2.gz YUCYPFMLEAWILZ-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP c1ccc(CCCC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207609763 1034487265 /nfs/dbraw/zinc/48/72/65/1034487265.db2.gz AHKKWDUXMZPOMM-DNQXCXABSA-N 2 1 379.548 3.627 20 0 GHADMP c1ccc(CCCC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207609763 1034487271 /nfs/dbraw/zinc/48/72/71/1034487271.db2.gz AHKKWDUXMZPOMM-DNQXCXABSA-N 2 1 379.548 3.627 20 0 GHADMP c1ccc(CCCC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001207609763 1034487274 /nfs/dbraw/zinc/48/72/74/1034487274.db2.gz AHKKWDUXMZPOMM-DNQXCXABSA-N 2 1 379.548 3.627 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620303 1034491754 /nfs/dbraw/zinc/49/17/54/1034491754.db2.gz LYFUWIIMSGPDEW-GNXKAVGDSA-N 2 1 381.564 3.597 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(NCC4C[NH+](C)C4)c23)C1 ZINC001159222755 1034493969 /nfs/dbraw/zinc/49/39/69/1034493969.db2.gz RPWCRQREKSQVCF-OAHLLOKOSA-N 2 1 399.608 3.776 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC2)CC1 ZINC001207634957 1034499861 /nfs/dbraw/zinc/49/98/61/1034499861.db2.gz GPBOULZGJVJZBO-LJQANCHMSA-N 2 1 396.616 3.693 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001207638505 1034501709 /nfs/dbraw/zinc/50/17/09/1034501709.db2.gz CKHFERFZNKWMAS-KJXAQDMKSA-N 2 1 380.617 3.634 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001207638505 1034501716 /nfs/dbraw/zinc/50/17/16/1034501716.db2.gz CKHFERFZNKWMAS-KJXAQDMKSA-N 2 1 380.617 3.634 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001207638505 1034501724 /nfs/dbraw/zinc/50/17/24/1034501724.db2.gz CKHFERFZNKWMAS-KJXAQDMKSA-N 2 1 380.617 3.634 20 0 GHADMP Clc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c(n1)C[NH2+]CC2 ZINC001159294364 1034529141 /nfs/dbraw/zinc/52/91/41/1034529141.db2.gz QAOMUATXFIBYDS-NNZMDNLPSA-N 2 1 382.939 3.988 20 0 GHADMP Cc1[nH+]c2ccc(Br)cn2c1Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001159372093 1034568937 /nfs/dbraw/zinc/56/89/37/1034568937.db2.gz OVYNBBLIOZRUMY-UHFFFAOYSA-N 2 1 386.297 3.558 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cn1 ZINC001231535909 1034690510 /nfs/dbraw/zinc/69/05/10/1034690510.db2.gz YCHSPEOUFCHJBL-HXUWFJFHSA-N 2 1 399.535 3.717 20 0 GHADMP COCCCOc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1OC ZINC001231544087 1034697628 /nfs/dbraw/zinc/69/76/28/1034697628.db2.gz MXGPHNGJGGKIEC-SFTDATJTSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc1OC ZINC001231544087 1034697636 /nfs/dbraw/zinc/69/76/36/1034697636.db2.gz MXGPHNGJGGKIEC-SFTDATJTSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC001231544087 1034697647 /nfs/dbraw/zinc/69/76/47/1034697647.db2.gz MXGPHNGJGGKIEC-SFTDATJTSA-N 2 1 390.568 3.949 20 0 GHADMP COCCCOc1ccc(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc1OC ZINC001231544087 1034697652 /nfs/dbraw/zinc/69/76/52/1034697652.db2.gz MXGPHNGJGGKIEC-SFTDATJTSA-N 2 1 390.568 3.949 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001208105710 1034739568 /nfs/dbraw/zinc/73/95/68/1034739568.db2.gz BATZWLKUDUBLTD-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP CC/C=C\CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001208189947 1034785312 /nfs/dbraw/zinc/78/53/12/1034785312.db2.gz JNAJLSKRDYHCGT-IDWYUOIOSA-N 2 1 375.601 3.920 20 0 GHADMP Cc1sc2ccccc2c1C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001231644334 1034804386 /nfs/dbraw/zinc/80/43/86/1034804386.db2.gz UBBBZRHBRZRLOE-UHFFFAOYSA-N 2 1 398.576 3.890 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(OC(C)(C)C)cc4)C[C@@H]3C2)cn1 ZINC001231804271 1034920255 /nfs/dbraw/zinc/92/02/55/1034920255.db2.gz AUDKFSMTNXXXTJ-RTWAWAEBSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(OC(C)(C)C)cc4)C[C@@H]3C2)cn1 ZINC001231804271 1034920258 /nfs/dbraw/zinc/92/02/58/1034920258.db2.gz AUDKFSMTNXXXTJ-RTWAWAEBSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(OC(C)(C)C)cc4)C[C@@H]3C2)cn1 ZINC001231804271 1034920259 /nfs/dbraw/zinc/92/02/59/1034920259.db2.gz AUDKFSMTNXXXTJ-RTWAWAEBSA-N 2 1 382.552 3.551 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(OC(C)(C)C)cc4)C[C@@H]3C2)cn1 ZINC001231804271 1034920263 /nfs/dbraw/zinc/92/02/63/1034920263.db2.gz AUDKFSMTNXXXTJ-RTWAWAEBSA-N 2 1 382.552 3.551 20 0 GHADMP [NH3+]CC1(CC(=O)N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)CCCCC1 ZINC001160294364 1034932117 /nfs/dbraw/zinc/93/21/17/1034932117.db2.gz ALKWQJNDYGOBTM-QHCPKHFHSA-N 2 1 387.543 3.692 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN(C[C@@H]4CCC[N@@H+](C)C4)CC3)CC2)c1 ZINC001208610248 1034952813 /nfs/dbraw/zinc/95/28/13/1034952813.db2.gz OQRVZMKBUIGYFU-JOCHJYFZSA-N 3 1 385.596 3.715 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC3)c1 ZINC001208610248 1034952818 /nfs/dbraw/zinc/95/28/18/1034952818.db2.gz OQRVZMKBUIGYFU-JOCHJYFZSA-N 3 1 385.596 3.715 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC3)c1 ZINC001208610248 1034952824 /nfs/dbraw/zinc/95/28/24/1034952824.db2.gz OQRVZMKBUIGYFU-JOCHJYFZSA-N 2 1 385.596 3.715 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C[C@@H]2CCCN(C)C2)CC3)c1 ZINC001208610248 1034952831 /nfs/dbraw/zinc/95/28/31/1034952831.db2.gz OQRVZMKBUIGYFU-JOCHJYFZSA-N 2 1 385.596 3.715 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001208613470 1034955134 /nfs/dbraw/zinc/95/51/34/1034955134.db2.gz UZNBAEXMTOMHEO-OAHLLOKOSA-N 2 1 378.973 3.804 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001208613470 1034955137 /nfs/dbraw/zinc/95/51/37/1034955137.db2.gz UZNBAEXMTOMHEO-OAHLLOKOSA-N 2 1 378.973 3.804 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001208613470 1034955139 /nfs/dbraw/zinc/95/51/39/1034955139.db2.gz UZNBAEXMTOMHEO-OAHLLOKOSA-N 2 1 378.973 3.804 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001208634985 1034963406 /nfs/dbraw/zinc/96/34/06/1034963406.db2.gz TZVHOJYCBWBWHT-SSGKUCQKSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001208634985 1034963410 /nfs/dbraw/zinc/96/34/10/1034963410.db2.gz TZVHOJYCBWBWHT-SSGKUCQKSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001208634985 1034963412 /nfs/dbraw/zinc/96/34/12/1034963412.db2.gz TZVHOJYCBWBWHT-SSGKUCQKSA-N 2 1 384.564 3.810 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CCC(C)(C)c1ccccc1)CCC2 ZINC001208665463 1034974058 /nfs/dbraw/zinc/97/40/58/1034974058.db2.gz GKPCALSQNFSINM-UHFFFAOYSA-N 2 1 396.579 3.659 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC001231907641 1034983497 /nfs/dbraw/zinc/98/34/97/1034983497.db2.gz WYYXOEAATFQNGQ-UNWVZKJWSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC001231907641 1034983500 /nfs/dbraw/zinc/98/35/00/1034983500.db2.gz WYYXOEAATFQNGQ-UNWVZKJWSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC001231907641 1034983504 /nfs/dbraw/zinc/98/35/04/1034983504.db2.gz WYYXOEAATFQNGQ-UNWVZKJWSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@@H]21 ZINC001231907641 1034983507 /nfs/dbraw/zinc/98/35/07/1034983507.db2.gz WYYXOEAATFQNGQ-UNWVZKJWSA-N 2 1 375.520 3.690 20 0 GHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001160572729 1035006054 /nfs/dbraw/zinc/00/60/54/1035006054.db2.gz TWJMDXWOVQQHGH-XQBPLPMBSA-N 2 1 389.584 3.609 20 0 GHADMP Cc1c[nH+]ccc1N1CC[NH+](C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC001208765370 1035008132 /nfs/dbraw/zinc/00/81/32/1035008132.db2.gz VTLYDEUEDZOYPM-HXUWFJFHSA-N 2 1 396.535 3.778 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231971150 1035015289 /nfs/dbraw/zinc/01/52/89/1035015289.db2.gz OYLIRWHEYGRVIR-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP Cc1cc(F)ncc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001231981765 1035020814 /nfs/dbraw/zinc/02/08/14/1035020814.db2.gz NEEKPPJCQXZVTH-GOSISDBHSA-N 2 1 389.540 3.846 20 0 GHADMP O=C(C[C@H]1CCCC[NH2+]1)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160683549 1035035381 /nfs/dbraw/zinc/03/53/81/1035035381.db2.gz NMIGXRMWRWEXEC-DNQXCXABSA-N 2 1 391.559 3.822 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4cc5c[nH+]ccc5[nH]4)C[C@H]3O2)n1 ZINC001232011341 1035041760 /nfs/dbraw/zinc/04/17/60/1035041760.db2.gz BXPAJBBYHRATIU-ONGXBYRLSA-N 2 1 377.492 3.828 20 0 GHADMP CC(C)(C)[C@H](C[NH3+])Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001160914802 1035092622 /nfs/dbraw/zinc/09/26/22/1035092622.db2.gz XXUQJGCJMZIEPP-INIZCTEOSA-N 2 1 387.597 3.951 20 0 GHADMP O=C1N(CC2CC2)CC[C@@]12CCC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208934614 1035100807 /nfs/dbraw/zinc/10/08/07/1035100807.db2.gz JZIVSIZIDZBOKZ-UKILVPOCSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@@]12CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208934614 1035100811 /nfs/dbraw/zinc/10/08/11/1035100811.db2.gz JZIVSIZIDZBOKZ-UKILVPOCSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@@]12CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208934614 1035100814 /nfs/dbraw/zinc/10/08/14/1035100814.db2.gz JZIVSIZIDZBOKZ-UKILVPOCSA-N 2 1 395.591 3.623 20 0 GHADMP O=C1N(CC2CC2)CC[C@@]12CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934614 1035100818 /nfs/dbraw/zinc/10/08/18/1035100818.db2.gz JZIVSIZIDZBOKZ-UKILVPOCSA-N 2 1 395.591 3.623 20 0 GHADMP COC[C@H]1COCCC12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208936390 1035102988 /nfs/dbraw/zinc/10/29/88/1035102988.db2.gz SCQAGDVHZSSDCG-PKTZIBPZSA-N 2 1 386.580 3.664 20 0 GHADMP COC[C@H]1COCCC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936390 1035102994 /nfs/dbraw/zinc/10/29/94/1035102994.db2.gz SCQAGDVHZSSDCG-PKTZIBPZSA-N 2 1 386.580 3.664 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208950401 1035121670 /nfs/dbraw/zinc/12/16/70/1035121670.db2.gz SVEWQQCTCKDBCH-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208950401 1035121675 /nfs/dbraw/zinc/12/16/75/1035121675.db2.gz SVEWQQCTCKDBCH-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208950401 1035121683 /nfs/dbraw/zinc/12/16/83/1035121683.db2.gz SVEWQQCTCKDBCH-NHCUHLMSSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145993 1035124011 /nfs/dbraw/zinc/12/40/11/1035124011.db2.gz GAQRWZWJPOQLQO-DNVCBOLYSA-N 2 1 379.520 3.765 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145993 1035124018 /nfs/dbraw/zinc/12/40/18/1035124018.db2.gz GAQRWZWJPOQLQO-DNVCBOLYSA-N 2 1 379.520 3.765 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c1 ZINC001232151033 1035130681 /nfs/dbraw/zinc/13/06/81/1035130681.db2.gz JUXIBBJBSSZKDQ-DFQSSKMNSA-N 2 1 391.531 3.622 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(c4ccccc4OC3=O)C2(C)C)c1 ZINC001232151857 1035130731 /nfs/dbraw/zinc/13/07/31/1035130731.db2.gz QDWHYIYJBPDPPC-HSZRJFAPSA-N 2 1 382.479 3.729 20 0 GHADMP CC1(C)[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001208959608 1035131870 /nfs/dbraw/zinc/13/18/70/1035131870.db2.gz SRCYYVMGPHQKRW-NBGIEHNGSA-N 2 1 390.527 3.850 20 0 GHADMP CC1(C)[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001208959608 1035131876 /nfs/dbraw/zinc/13/18/76/1035131876.db2.gz SRCYYVMGPHQKRW-NBGIEHNGSA-N 2 1 390.527 3.850 20 0 GHADMP CC1(C)[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001208959608 1035131884 /nfs/dbraw/zinc/13/18/84/1035131884.db2.gz SRCYYVMGPHQKRW-NBGIEHNGSA-N 2 1 390.527 3.850 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208963527 1035133089 /nfs/dbraw/zinc/13/30/89/1035133089.db2.gz OOUUOSKTNFTKTF-BJKOFHAPSA-N 2 1 392.543 3.964 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208963527 1035133096 /nfs/dbraw/zinc/13/30/96/1035133096.db2.gz OOUUOSKTNFTKTF-BJKOFHAPSA-N 2 1 392.543 3.964 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208963527 1035133100 /nfs/dbraw/zinc/13/31/00/1035133100.db2.gz OOUUOSKTNFTKTF-BJKOFHAPSA-N 2 1 392.543 3.964 20 0 GHADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccccc2-c2ccc(Cl)cc2)CCC1=O ZINC001232195785 1035156120 /nfs/dbraw/zinc/15/61/20/1035156120.db2.gz XADZFVGEQWXSOM-UHFFFAOYSA-N 2 1 385.939 3.603 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(CCOC(=O)c3ccccc3)C[C@@H]21 ZINC001209045713 1035156734 /nfs/dbraw/zinc/15/67/34/1035156734.db2.gz XLRSUIRJZLZTKL-VABKMULXSA-N 2 1 378.516 3.954 20 0 GHADMP O=C(OCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001209048508 1035157800 /nfs/dbraw/zinc/15/78/00/1035157800.db2.gz XEZBROVHPBUPLM-XZOQPEGZSA-N 2 1 378.516 3.687 20 0 GHADMP O=C(OCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001209048508 1035157803 /nfs/dbraw/zinc/15/78/03/1035157803.db2.gz XEZBROVHPBUPLM-XZOQPEGZSA-N 2 1 378.516 3.687 20 0 GHADMP O=C(OCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)c1ccccc1 ZINC001209048508 1035157812 /nfs/dbraw/zinc/15/78/12/1035157812.db2.gz XEZBROVHPBUPLM-XZOQPEGZSA-N 2 1 378.516 3.687 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001209233307 1035214536 /nfs/dbraw/zinc/21/45/36/1035214536.db2.gz MXXREPANNDBSHO-UHFFFAOYSA-N 2 1 385.568 3.778 20 0 GHADMP Fc1ccc(CC[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1F ZINC001209241493 1035217073 /nfs/dbraw/zinc/21/70/73/1035217073.db2.gz MBTMKWGHDIXNCM-UHFFFAOYSA-N 2 1 392.515 3.936 20 0 GHADMP Fc1ccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1F ZINC001209241493 1035217079 /nfs/dbraw/zinc/21/70/79/1035217079.db2.gz MBTMKWGHDIXNCM-UHFFFAOYSA-N 2 1 392.515 3.936 20 0 GHADMP c1ccc(COCCCC[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001209258350 1035224789 /nfs/dbraw/zinc/22/47/89/1035224789.db2.gz BVIMDVIXUXOEKW-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP c1ccc(COCCCC[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001209258350 1035224793 /nfs/dbraw/zinc/22/47/93/1035224793.db2.gz BVIMDVIXUXOEKW-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP c1ccc(COCCCC[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001209258350 1035224797 /nfs/dbraw/zinc/22/47/97/1035224797.db2.gz BVIMDVIXUXOEKW-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP c1ccc(COCCCC[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)cc1 ZINC001209258350 1035224802 /nfs/dbraw/zinc/22/48/02/1035224802.db2.gz BVIMDVIXUXOEKW-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451073 1035277009 /nfs/dbraw/zinc/27/70/09/1035277009.db2.gz ZKUQILURBFGHTF-GHTZIAJQSA-N 2 1 383.552 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451073 1035277011 /nfs/dbraw/zinc/27/70/11/1035277011.db2.gz ZKUQILURBFGHTF-GHTZIAJQSA-N 2 1 383.552 3.533 20 0 GHADMP Fc1cccnc1N1CC[C@]2(C1)C[N@H+](CCC[NH+]1CCCCC1)CCC2(F)F ZINC001209449949 1035277118 /nfs/dbraw/zinc/27/71/18/1035277118.db2.gz FOMWEFADBHAGGT-HXUWFJFHSA-N 2 1 396.501 3.634 20 0 GHADMP Fc1cccnc1N1CC[C@]2(C1)C[N@@H+](CCC[NH+]1CCCCC1)CCC2(F)F ZINC001209449949 1035277124 /nfs/dbraw/zinc/27/71/24/1035277124.db2.gz FOMWEFADBHAGGT-HXUWFJFHSA-N 2 1 396.501 3.634 20 0 GHADMP Fc1cccc(N2CCOC[C@@]3(CCC[N@@H+](CCC[NH+]4CCCCC4)C3)C2)c1 ZINC001209450033 1035277263 /nfs/dbraw/zinc/27/72/63/1035277263.db2.gz HJOMKGJPYYZKKO-HSZRJFAPSA-N 2 1 389.559 3.621 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451078 1035277434 /nfs/dbraw/zinc/27/74/34/1035277434.db2.gz ZKUQILURBFGHTF-WIYYLYMNSA-N 2 1 383.552 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451078 1035277437 /nfs/dbraw/zinc/27/74/37/1035277437.db2.gz ZKUQILURBFGHTF-WIYYLYMNSA-N 2 1 383.552 3.533 20 0 GHADMP CC[C@H](CN1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1)NC(=O)OC(C)(C)C ZINC001209464033 1035280902 /nfs/dbraw/zinc/28/09/02/1035280902.db2.gz VMYUZQFMCGLZAO-QHAWAJNXSA-N 2 1 387.568 3.662 20 0 GHADMP CC[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209464033 1035280911 /nfs/dbraw/zinc/28/09/11/1035280911.db2.gz VMYUZQFMCGLZAO-QHAWAJNXSA-N 2 1 387.568 3.662 20 0 GHADMP CC[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209464033 1035280919 /nfs/dbraw/zinc/28/09/19/1035280919.db2.gz VMYUZQFMCGLZAO-QHAWAJNXSA-N 2 1 387.568 3.662 20 0 GHADMP Cn1nc2ccccc2c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209532295 1035305808 /nfs/dbraw/zinc/30/58/08/1035305808.db2.gz KEDZNSYXAUZMCR-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP [NH3+]C1CC[NH+](CCNc2nc(-c3cccc(Cl)c3)nc3c2CCCC3)CC1 ZINC001161873186 1035319361 /nfs/dbraw/zinc/31/93/61/1035319361.db2.gz YYSLMVNDXDPKOR-UHFFFAOYSA-N 2 1 385.943 3.511 20 0 GHADMP COc1ccc(OCc2ccccc2)c(-c2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC001241323722 1035560422 /nfs/dbraw/zinc/56/04/22/1035560422.db2.gz HAXTUVGKMSWCKQ-UHFFFAOYSA-N 2 1 375.472 3.746 20 0 GHADMP C[NH+]1CCN(C(=O)c2cccc(-c3ccc(SC4CC[NH2+]CC4)cc3)c2)CC1 ZINC001241882067 1035742033 /nfs/dbraw/zinc/74/20/33/1035742033.db2.gz ZCJUJQYXZPMUEZ-UHFFFAOYSA-N 2 1 395.572 3.585 20 0 GHADMP Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001278378912 1036443220 /nfs/dbraw/zinc/44/32/20/1036443220.db2.gz RIHPYLTWLHDKAZ-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001278378912 1036443233 /nfs/dbraw/zinc/44/32/33/1036443233.db2.gz RIHPYLTWLHDKAZ-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2CCCCC[NH+](Cc3ccccc3)C2)C1 ZINC001462117554 1070009100 /nfs/dbraw/zinc/00/91/00/1070009100.db2.gz RJCSDTLMTVLKPQ-NZQKXSOJSA-N 2 1 389.559 3.760 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001462117554 1070009123 /nfs/dbraw/zinc/00/91/23/1070009123.db2.gz RJCSDTLMTVLKPQ-NZQKXSOJSA-N 2 1 389.559 3.760 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001462117554 1070009141 /nfs/dbraw/zinc/00/91/41/1070009141.db2.gz RJCSDTLMTVLKPQ-NZQKXSOJSA-N 2 1 389.559 3.760 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001246022261 1037141554 /nfs/dbraw/zinc/14/15/54/1037141554.db2.gz JFVLLQDXHBQLIL-HOYKHHGWSA-N 2 1 393.531 3.669 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC001246046213 1037160296 /nfs/dbraw/zinc/16/02/96/1037160296.db2.gz NBCKWNNLMUOXJU-XHDPSFHLSA-N 2 1 384.364 3.832 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC001246046213 1037160305 /nfs/dbraw/zinc/16/03/05/1037160305.db2.gz NBCKWNNLMUOXJU-XHDPSFHLSA-N 2 1 384.364 3.832 20 0 GHADMP CC(C)(C)[C@H](O)C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054702 1037168612 /nfs/dbraw/zinc/16/86/12/1037168612.db2.gz JARQFUJHJSJXEH-QGZVFWFLSA-N 2 1 376.438 3.806 20 0 GHADMP CC(C)(C)[C@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054702 1037168624 /nfs/dbraw/zinc/16/86/24/1037168624.db2.gz JARQFUJHJSJXEH-QGZVFWFLSA-N 2 1 376.438 3.806 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246056545 1037170160 /nfs/dbraw/zinc/17/01/60/1037170160.db2.gz WFHFHHOKHBRTLM-HSZRJFAPSA-N 2 1 390.527 3.834 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246056545 1037170170 /nfs/dbraw/zinc/17/01/70/1037170170.db2.gz WFHFHHOKHBRTLM-HSZRJFAPSA-N 2 1 390.527 3.834 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068429 1037184211 /nfs/dbraw/zinc/18/42/11/1037184211.db2.gz RYRVRFUAQCGPGH-VAMGGRTRSA-N 2 1 392.584 3.832 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246070523 1037186318 /nfs/dbraw/zinc/18/63/18/1037186318.db2.gz RTECNTVPYIVSHS-OAQYLSRUSA-N 2 1 388.939 3.642 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246070523 1037186334 /nfs/dbraw/zinc/18/63/34/1037186334.db2.gz RTECNTVPYIVSHS-OAQYLSRUSA-N 2 1 388.939 3.642 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](NC[C@@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115215 1037198119 /nfs/dbraw/zinc/19/81/19/1037198119.db2.gz REWVUYCUNZPZCY-VNSJUHMKSA-N 2 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]C[C@@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115215 1037198145 /nfs/dbraw/zinc/19/81/45/1037198145.db2.gz REWVUYCUNZPZCY-VNSJUHMKSA-N 3 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]C[C@@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115215 1037198171 /nfs/dbraw/zinc/19/81/71/1037198171.db2.gz REWVUYCUNZPZCY-VNSJUHMKSA-N 3 1 389.587 3.951 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246128997 1037206209 /nfs/dbraw/zinc/20/62/09/1037206209.db2.gz OAPTUIUGIRNVGX-XBMUEBEBSA-N 2 1 397.357 3.549 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246318681 1037292555 /nfs/dbraw/zinc/29/25/55/1037292555.db2.gz KSHUXDQRMCAMKI-QHCPKHFHSA-N 2 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@@H](NCc2ccccc2N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246318681 1037292575 /nfs/dbraw/zinc/29/25/75/1037292575.db2.gz KSHUXDQRMCAMKI-QHCPKHFHSA-N 2 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@@H](NCc2ccccc2N2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246318681 1037292588 /nfs/dbraw/zinc/29/25/88/1037292588.db2.gz KSHUXDQRMCAMKI-QHCPKHFHSA-N 2 1 392.591 3.629 20 0 GHADMP CCc1ccc(C[N@@H+](CCN)[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC001246347328 1037308546 /nfs/dbraw/zinc/30/85/46/1037308546.db2.gz BRCUFMRJFAPCCV-KRWDZBQOSA-N 2 1 386.536 3.667 20 0 GHADMP CCc1ccc(C[N@H+](CC[NH3+])[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC001246347328 1037308561 /nfs/dbraw/zinc/30/85/61/1037308561.db2.gz BRCUFMRJFAPCCV-KRWDZBQOSA-N 2 1 386.536 3.667 20 0 GHADMP CCc1ccc(C[N@@H+](CC[NH3+])[C@@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC001246347328 1037308575 /nfs/dbraw/zinc/30/85/75/1037308575.db2.gz BRCUFMRJFAPCCV-KRWDZBQOSA-N 2 1 386.536 3.667 20 0 GHADMP C[C@H]1CC([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)C[C@H](C)[NH2+]1 ZINC001246361763 1037319658 /nfs/dbraw/zinc/31/96/58/1037319658.db2.gz OOVUSPOPKDLKSQ-HOTGVXAUSA-N 2 1 394.401 3.780 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001246431409 1037392996 /nfs/dbraw/zinc/39/29/96/1037392996.db2.gz UBSYUXJFCCEWHT-HNNXBMFYSA-N 2 1 386.458 3.994 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)C[NH2+]1 ZINC001246440602 1037401892 /nfs/dbraw/zinc/40/18/92/1037401892.db2.gz IQUBASPSXWTSDS-DOTOQJQBSA-N 2 1 381.358 3.519 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246441460 1037404452 /nfs/dbraw/zinc/40/44/52/1037404452.db2.gz HMAYQBQAMGAEFX-UDTPNQRGSA-N 3 1 380.374 3.662 20 0 GHADMP CC1([NH2+][C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001246468535 1037420027 /nfs/dbraw/zinc/42/00/27/1037420027.db2.gz YPUPNCATLFFXQB-BJKOFHAPSA-N 2 1 377.576 3.994 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246484020 1037430310 /nfs/dbraw/zinc/43/03/10/1037430310.db2.gz VTIYKAGZVNYPHL-ZFWWWQNUSA-N 2 1 375.301 3.995 20 0 GHADMP FC1(F)CNCC[C@@H]1CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246487791 1037434899 /nfs/dbraw/zinc/43/48/99/1037434899.db2.gz MJPDROQKMILNKN-NCYKPQTJSA-N 2 1 377.523 3.797 20 0 GHADMP COc1cccc([C@H](C[NH3+])N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001246509931 1037450566 /nfs/dbraw/zinc/45/05/66/1037450566.db2.gz KRGHLQJHCXNDNO-KHUIQGCPSA-N 2 1 379.548 3.870 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CCN[C@H](c3ccc(F)cc3C)C2)C1 ZINC001246517669 1037452928 /nfs/dbraw/zinc/45/29/28/1037452928.db2.gz ARZTUURCLUGJNE-LMNJBCLMSA-N 2 1 375.532 3.508 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246517669 1037452964 /nfs/dbraw/zinc/45/29/64/1037452964.db2.gz ARZTUURCLUGJNE-LMNJBCLMSA-N 2 1 375.532 3.508 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246517669 1037452991 /nfs/dbraw/zinc/45/29/91/1037452991.db2.gz ARZTUURCLUGJNE-LMNJBCLMSA-N 2 1 375.532 3.508 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC[NH2+]1 ZINC001246588290 1037494035 /nfs/dbraw/zinc/49/40/35/1037494035.db2.gz LAIQBUOULQUGHY-JTHBVZDNSA-N 3 1 381.539 3.920 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246597658 1037495007 /nfs/dbraw/zinc/49/50/07/1037495007.db2.gz YCXVZGVDRNJOCA-IBGZPJMESA-N 2 1 380.374 3.869 20 0 GHADMP C[C@H](Cc1ccccn1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622269 1037511895 /nfs/dbraw/zinc/51/18/95/1037511895.db2.gz YPEWEMZDKZWXOP-NFBKMPQASA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246624231 1037512326 /nfs/dbraw/zinc/51/23/26/1037512326.db2.gz OLHVKTTZOBZUFJ-AGILITTLSA-N 2 1 375.560 3.729 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246624243 1037513031 /nfs/dbraw/zinc/51/30/31/1037513031.db2.gz OLHVKTTZOBZUFJ-QDSKXPNFSA-N 2 1 375.560 3.729 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4CC[NH2+][C@H]5C[C@H]54)C[C@@H]23)cc1 ZINC001246658627 1037531947 /nfs/dbraw/zinc/53/19/47/1037531947.db2.gz CSUQXMAGGBJTDU-FZPKUJNRSA-N 2 1 387.571 3.798 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+]([C@@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001246683830 1037546200 /nfs/dbraw/zinc/54/62/00/1037546200.db2.gz URYWWMRJARENPS-QSFXBCCZSA-N 2 1 398.469 3.501 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246705643 1037558433 /nfs/dbraw/zinc/55/84/33/1037558433.db2.gz ZLZPPPASYLRAJY-IEBWSBKVSA-N 2 1 380.374 3.882 20 0 GHADMP c1ccc([C@H]2C[C@@H]([N@@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)CC[NH2+]2)cc1 ZINC001246706594 1037559410 /nfs/dbraw/zinc/55/94/10/1037559410.db2.gz ZVSXVCPVPGJHNR-NDBXHCKUSA-N 2 1 391.559 3.987 20 0 GHADMP c1ccc([C@H]2C[C@@H]([N@H+]3CC[C@H](OCC4CC4)[C@@H]3Cc3cccnc3)CC[NH2+]2)cc1 ZINC001246706594 1037559419 /nfs/dbraw/zinc/55/94/19/1037559419.db2.gz ZVSXVCPVPGJHNR-NDBXHCKUSA-N 2 1 391.559 3.987 20 0 GHADMP O=C1C[C@@]2(CC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1ccc(F)cc1 ZINC001246713951 1037563794 /nfs/dbraw/zinc/56/37/94/1037563794.db2.gz IQUVMNBBIBTTDH-RBBKRZOGSA-N 2 1 385.527 3.709 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246712638 1037565167 /nfs/dbraw/zinc/56/51/67/1037565167.db2.gz XKXXDLPRRJCPLI-CUDBPUKSSA-N 2 1 387.568 3.642 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@@H]2CCC4(C2)CC[NH2+]CC4)CCO3)c1 ZINC001246717429 1037570558 /nfs/dbraw/zinc/57/05/58/1037570558.db2.gz IIWAEZBQRPCABX-VWNXMTODSA-N 2 1 383.580 3.589 20 0 GHADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)C2=O)c1 ZINC001246727503 1037577684 /nfs/dbraw/zinc/57/76/84/1037577684.db2.gz HSAZSGXTKRKYLM-VWLOTQADSA-N 2 1 395.591 3.732 20 0 GHADMP Cc1cccc(CN2CC[C@]3(CC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)C2=O)c1 ZINC001246727498 1037578451 /nfs/dbraw/zinc/57/84/51/1037578451.db2.gz HSAZSGXTKRKYLM-RUZDIDTESA-N 2 1 395.591 3.732 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CC[NH2+]1 ZINC001246747758 1037588727 /nfs/dbraw/zinc/58/87/27/1037588727.db2.gz RLGQHYFDBXLTPI-NXYDZRKXSA-N 2 1 383.580 3.635 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1cccc(F)c1 ZINC001246753884 1037596402 /nfs/dbraw/zinc/59/64/02/1037596402.db2.gz DLRJQHNCEYOLAG-BKULYWANSA-N 2 1 393.506 3.748 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1cccc(F)c1 ZINC001246753884 1037596411 /nfs/dbraw/zinc/59/64/11/1037596411.db2.gz DLRJQHNCEYOLAG-BKULYWANSA-N 2 1 393.506 3.748 20 0 GHADMP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246756117 1037599028 /nfs/dbraw/zinc/59/90/28/1037599028.db2.gz VPPIVCDHRGCCFY-LADGPHEKSA-N 2 1 391.563 3.530 20 0 GHADMP CC(C)(C)[C@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759089 1037602138 /nfs/dbraw/zinc/60/21/38/1037602138.db2.gz PZAXICVWPSAKMO-FGZHOGPDSA-N 2 1 385.596 3.520 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2)C1CCCC1 ZINC001246763435 1037607484 /nfs/dbraw/zinc/60/74/84/1037607484.db2.gz BHSFXHVSQLSVCQ-KAOXLYBCSA-N 2 1 376.585 3.739 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763790 1037607525 /nfs/dbraw/zinc/60/75/25/1037607525.db2.gz DXSLJVGTQTZSMI-DODNOZFWSA-N 3 1 384.612 3.781 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763790 1037607540 /nfs/dbraw/zinc/60/75/40/1037607540.db2.gz DXSLJVGTQTZSMI-DODNOZFWSA-N 3 1 384.612 3.781 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763790 1037607555 /nfs/dbraw/zinc/60/75/55/1037607555.db2.gz DXSLJVGTQTZSMI-DODNOZFWSA-N 3 1 384.612 3.781 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763790 1037607567 /nfs/dbraw/zinc/60/75/67/1037607567.db2.gz DXSLJVGTQTZSMI-DODNOZFWSA-N 3 1 384.612 3.781 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]21 ZINC001246763790 1037607577 /nfs/dbraw/zinc/60/75/77/1037607577.db2.gz DXSLJVGTQTZSMI-DODNOZFWSA-N 3 1 384.612 3.781 20 0 GHADMP Fc1cccc2c1CC[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246770478 1037612712 /nfs/dbraw/zinc/61/27/12/1037612712.db2.gz KJRSZTXFRXIEMV-IBGZPJMESA-N 2 1 382.527 3.818 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[NH2+]1 ZINC001246778372 1037619183 /nfs/dbraw/zinc/61/91/83/1037619183.db2.gz USBHCLDNARTQHD-VCOUNFBDSA-N 2 1 387.543 3.652 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CC[NH2+]1 ZINC001246778372 1037619191 /nfs/dbraw/zinc/61/91/91/1037619191.db2.gz USBHCLDNARTQHD-VCOUNFBDSA-N 2 1 387.543 3.652 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246785202 1037625877 /nfs/dbraw/zinc/62/58/77/1037625877.db2.gz JTWOEWIUDCXWBG-RBBKRZOGSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246785202 1037625885 /nfs/dbraw/zinc/62/58/85/1037625885.db2.gz JTWOEWIUDCXWBG-RBBKRZOGSA-N 2 1 384.495 3.993 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246785202 1037625919 /nfs/dbraw/zinc/62/59/19/1037625919.db2.gz JTWOEWIUDCXWBG-RBBKRZOGSA-N 2 1 384.495 3.993 20 0 GHADMP c1ccc(C(c2ccccc2)[C@@H]2CCCC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246810947 1037646030 /nfs/dbraw/zinc/64/60/30/1037646030.db2.gz BQPDDAAMUUKVCG-PKTZIBPZSA-N 2 1 375.560 3.767 20 0 GHADMP CCCC[C@H]1CC[C@H](C2CCC(N3CC[NH2+]CCNCC[NH2+]CC3)CC2)CC1 ZINC001246818002 1037650666 /nfs/dbraw/zinc/65/06/66/1037650666.db2.gz BYCIAOXDIMPAKE-NHSJRLTNSA-N 2 1 392.676 3.626 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246819190 1037652380 /nfs/dbraw/zinc/65/23/80/1037652380.db2.gz RSAUADMVEDUCTK-UHFFFAOYSA-N 2 1 396.501 3.925 20 0 GHADMP Fc1ccc(C[N@H+]2CCCN([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823217 1037655794 /nfs/dbraw/zinc/65/57/94/1037655794.db2.gz OROSRIGVQIKKHL-BJKOFHAPSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CN2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823217 1037655808 /nfs/dbraw/zinc/65/58/08/1037655808.db2.gz OROSRIGVQIKKHL-BJKOFHAPSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CN2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823217 1037655824 /nfs/dbraw/zinc/65/58/24/1037655824.db2.gz OROSRIGVQIKKHL-BJKOFHAPSA-N 2 1 381.539 3.697 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246825507 1037657457 /nfs/dbraw/zinc/65/74/57/1037657457.db2.gz VPGYUTKSBXUOGV-CDNNERCOSA-N 2 1 379.523 3.886 20 0 GHADMP C[C@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)C[N@H+]1Cc1ccccc1 ZINC001246831547 1037662822 /nfs/dbraw/zinc/66/28/22/1037662822.db2.gz CVPNEBWXXCNRQP-ZMUKGBGYSA-N 2 1 381.539 3.852 20 0 GHADMP COCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246839816 1037667520 /nfs/dbraw/zinc/66/75/20/1037667520.db2.gz MSOVROPMZBYSKD-XMMPIXPASA-N 2 1 394.559 3.823 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246846411 1037671609 /nfs/dbraw/zinc/67/16/09/1037671609.db2.gz GXVMFMKIVGGXJO-BXXSPATCSA-N 2 1 377.532 3.603 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246846411 1037671621 /nfs/dbraw/zinc/67/16/21/1037671621.db2.gz GXVMFMKIVGGXJO-BXXSPATCSA-N 2 1 377.532 3.603 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)CC[NH2+]2)cc1 ZINC001246854226 1037678150 /nfs/dbraw/zinc/67/81/50/1037678150.db2.gz PPAPNGLJZFFEGG-DQEYMECFSA-N 3 1 389.587 3.948 20 0 GHADMP c1ccc(CN2CCC([N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246857504 1037679539 /nfs/dbraw/zinc/67/95/39/1037679539.db2.gz ABYDLGDBZBXOJH-UHFFFAOYSA-N 2 1 375.560 3.788 20 0 GHADMP c1ccc(C[NH+]2CCC([N@@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246857504 1037679555 /nfs/dbraw/zinc/67/95/55/1037679555.db2.gz ABYDLGDBZBXOJH-UHFFFAOYSA-N 3 1 375.560 3.788 20 0 GHADMP c1ccc(C[NH+]2CCC([N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246857504 1037679568 /nfs/dbraw/zinc/67/95/68/1037679568.db2.gz ABYDLGDBZBXOJH-UHFFFAOYSA-N 3 1 375.560 3.788 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C1)C2 ZINC001246880770 1037693744 /nfs/dbraw/zinc/69/37/44/1037693744.db2.gz RUIPMLLIHBMHMN-RLIDHQHUSA-N 2 1 384.564 3.748 20 0 GHADMP C[C@H](Cc1cccc(Br)c1)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882665 1037700082 /nfs/dbraw/zinc/70/00/82/1037700082.db2.gz ZNECJAJRBKQMPA-BSIFCXSSSA-N 2 1 385.349 3.853 20 0 GHADMP C[C@H](Cc1cccc(Br)c1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246882665 1037700094 /nfs/dbraw/zinc/70/00/94/1037700094.db2.gz ZNECJAJRBKQMPA-BSIFCXSSSA-N 2 1 385.349 3.853 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920820 1037726756 /nfs/dbraw/zinc/72/67/56/1037726756.db2.gz STHBRRCFKKYVBD-LNRXMEIDSA-N 2 1 382.479 3.507 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920820 1037726779 /nfs/dbraw/zinc/72/67/79/1037726779.db2.gz STHBRRCFKKYVBD-LNRXMEIDSA-N 2 1 382.479 3.507 20 0 GHADMP CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246929842 1037733565 /nfs/dbraw/zinc/73/35/65/1037733565.db2.gz HATLRQBWEGCUOA-GOTSBHOMSA-N 2 1 391.559 3.820 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)CC2 ZINC001246934655 1037738249 /nfs/dbraw/zinc/73/82/49/1037738249.db2.gz JNLKYWKLVOGXGH-WBWZNMHFSA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1)CC2 ZINC001246934655 1037738273 /nfs/dbraw/zinc/73/82/73/1037738273.db2.gz JNLKYWKLVOGXGH-WBWZNMHFSA-N 2 1 388.527 3.892 20 0 GHADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cnc(-c4ccc(Cl)cc4)s3)[C@@H]2C1 ZINC001278472622 1037743941 /nfs/dbraw/zinc/74/39/41/1037743941.db2.gz SATDXXVMKUDNNU-QFBILLFUSA-N 2 1 390.984 3.531 20 0 GHADMP CCOCCN(C1CC[NH2+]CC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246948590 1037750301 /nfs/dbraw/zinc/75/03/01/1037750301.db2.gz DDZHWWWDYWIDHY-BKFWDETESA-N 2 1 385.596 3.663 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2ccccn2)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246952463 1037756622 /nfs/dbraw/zinc/75/66/22/1037756622.db2.gz STYFSJYQSOEHFW-OYDLWJJNSA-N 2 1 378.564 3.689 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953297 1037758967 /nfs/dbraw/zinc/75/89/67/1037758967.db2.gz AXDAKADJWVNFAA-YJBOKZPZSA-N 2 1 380.479 3.641 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@H](CC)[NH2+]1 ZINC001246971592 1037795133 /nfs/dbraw/zinc/79/51/33/1037795133.db2.gz WBLRIEPDWPJJJB-FXUDXRNXSA-N 2 1 386.462 3.648 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@H](CC)[NH2+]1 ZINC001246971592 1037795153 /nfs/dbraw/zinc/79/51/53/1037795153.db2.gz WBLRIEPDWPJJJB-FXUDXRNXSA-N 2 1 386.462 3.648 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+]([C@@H](C)CC(C)(C)SCc2ccco2)CCC12C[NH2+]C2 ZINC001247010888 1037836394 /nfs/dbraw/zinc/83/63/94/1037836394.db2.gz WLAYOTGGYBYKOZ-FUHWJXTLSA-N 2 1 394.581 3.545 20 0 GHADMP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232363155 1038142012 /nfs/dbraw/zinc/14/20/12/1038142012.db2.gz HZBYPDQVMWLUFQ-UHFFFAOYSA-N 2 1 392.469 3.874 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232461643 1038246831 /nfs/dbraw/zinc/24/68/31/1038246831.db2.gz IJQMPNPYNRYDCN-UHFFFAOYSA-N 2 1 391.991 3.846 20 0 GHADMP CC(C)Cc1ccc(Br)cc1-c1noc([C@@H]([NH3+])CCCC[NH3+])n1 ZINC001247692189 1038330679 /nfs/dbraw/zinc/33/06/79/1038330679.db2.gz AHOOBVCCKUUSQF-HNNXBMFYSA-N 2 1 381.318 3.826 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)c(C(F)(F)F)c2)no1 ZINC001247693158 1038332818 /nfs/dbraw/zinc/33/28/18/1038332818.db2.gz MDCLCZQWPDSIME-NSHDSACASA-N 2 1 393.207 3.647 20 0 GHADMP Fc1cc(-c2noc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247767209 1038370376 /nfs/dbraw/zinc/37/03/76/1038370376.db2.gz NMXMXHKJSMJOGJ-BWMCOSIFSA-N 2 1 379.439 3.606 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc3ccsc3c2)CC1 ZINC001232613269 1038399659 /nfs/dbraw/zinc/39/96/59/1038399659.db2.gz LSTZBVQALZDMKJ-NHCUHLMSSA-N 2 1 397.588 3.808 20 0 GHADMP COc1cccc(C)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001232620475 1038406804 /nfs/dbraw/zinc/40/68/04/1038406804.db2.gz MSKXDTMZRVBOSZ-OAQYLSRUSA-N 2 1 395.547 3.654 20 0 GHADMP Clc1cccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1Cl ZINC001247905963 1038478345 /nfs/dbraw/zinc/47/83/45/1038478345.db2.gz NAUNHZBFYMLWRC-LBPRGKRZSA-N 2 1 381.307 3.975 20 0 GHADMP Clc1cc(Cl)cc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247907019 1038480640 /nfs/dbraw/zinc/48/06/40/1038480640.db2.gz QEAMJSWJVIMGBD-LBPRGKRZSA-N 2 1 381.307 3.975 20 0 GHADMP Fc1c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cccc1C(F)(F)F ZINC001247906525 1038480992 /nfs/dbraw/zinc/48/09/92/1038480992.db2.gz PNKHJQHCVYJBPE-LBPRGKRZSA-N 2 1 398.404 3.826 20 0 GHADMP CCCn1cnc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001232797735 1038562594 /nfs/dbraw/zinc/56/25/94/1038562594.db2.gz UIPSSPWJFAWTPK-IBGZPJMESA-N 2 1 388.581 3.610 20 0 GHADMP CN(C)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)n1 ZINC001233121685 1038908085 /nfs/dbraw/zinc/90/80/85/1038908085.db2.gz MVBQWQSXEDQIDC-VQTJNVASSA-N 2 1 382.527 3.631 20 0 GHADMP CN(C)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)n1 ZINC001233121685 1038908098 /nfs/dbraw/zinc/90/80/98/1038908098.db2.gz MVBQWQSXEDQIDC-VQTJNVASSA-N 2 1 382.527 3.631 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001252384606 1038969086 /nfs/dbraw/zinc/96/90/86/1038969086.db2.gz RNEYDAHOKOPTHA-VXKWHMMOSA-N 2 1 382.548 3.920 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001252409810 1038988207 /nfs/dbraw/zinc/98/82/07/1038988207.db2.gz NUYKQFHALAMTQG-RTBURBONSA-N 2 1 378.605 3.545 20 0 GHADMP CCOC(=O)c1ccnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001233325849 1039118392 /nfs/dbraw/zinc/11/83/92/1039118392.db2.gz GHXVVGUXXHMMKW-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cc4cccnc4s3)CC[C@@H]21 ZINC001233347256 1039160664 /nfs/dbraw/zinc/16/06/64/1039160664.db2.gz HOXIJPGCOCUFGW-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cc4cccnc4s3)CC[C@@H]21 ZINC001233347256 1039160671 /nfs/dbraw/zinc/16/06/71/1039160671.db2.gz HOXIJPGCOCUFGW-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cc4cccnc4s3)CC[C@@H]21 ZINC001233347256 1039160684 /nfs/dbraw/zinc/16/06/84/1039160684.db2.gz HOXIJPGCOCUFGW-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cc4cccnc4s3)CC[C@@H]21 ZINC001233347256 1039160688 /nfs/dbraw/zinc/16/06/88/1039160688.db2.gz HOXIJPGCOCUFGW-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001252917194 1039254644 /nfs/dbraw/zinc/25/46/44/1039254644.db2.gz OMEOXIJKDQSUBA-HYBUGGRVSA-N 2 1 382.548 3.585 20 0 GHADMP CC[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001252917194 1039254653 /nfs/dbraw/zinc/25/46/53/1039254653.db2.gz OMEOXIJKDQSUBA-HYBUGGRVSA-N 2 1 382.548 3.585 20 0 GHADMP CC[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001252917194 1039254666 /nfs/dbraw/zinc/25/46/66/1039254666.db2.gz OMEOXIJKDQSUBA-HYBUGGRVSA-N 2 1 382.548 3.585 20 0 GHADMP CC[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H](C)Cc1ccc(OC)cc1 ZINC001252917194 1039254672 /nfs/dbraw/zinc/25/46/72/1039254672.db2.gz OMEOXIJKDQSUBA-HYBUGGRVSA-N 2 1 382.548 3.585 20 0 GHADMP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC001252928726 1039266279 /nfs/dbraw/zinc/26/62/79/1039266279.db2.gz BEFZGRRXIPLZGL-RPWUZVMVSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC001252928726 1039266293 /nfs/dbraw/zinc/26/62/93/1039266293.db2.gz BEFZGRRXIPLZGL-RPWUZVMVSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@H]2CCC[NH+]2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252928726 1039266299 /nfs/dbraw/zinc/26/62/99/1039266299.db2.gz BEFZGRRXIPLZGL-RPWUZVMVSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@H]2CCC[NH+]2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252928726 1039266313 /nfs/dbraw/zinc/26/63/13/1039266313.db2.gz BEFZGRRXIPLZGL-RPWUZVMVSA-N 2 1 380.532 3.859 20 0 GHADMP CC(C)C[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccc2[nH]1 ZINC001252948985 1039291515 /nfs/dbraw/zinc/29/15/15/1039291515.db2.gz DFDQGHBEMQAKMW-VWNXMTODSA-N 2 1 392.547 3.877 20 0 GHADMP CC1([NH2+]C[C@H](O)CCOCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001253303112 1039548128 /nfs/dbraw/zinc/54/81/28/1039548128.db2.gz VKSRWWZTQBPKIU-HSZRJFAPSA-N 2 1 382.548 3.599 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253487081 1039668315 /nfs/dbraw/zinc/66/83/15/1039668315.db2.gz BWICKSSNSMZVEV-XQBPLPMBSA-N 2 1 378.988 3.933 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253487081 1039668325 /nfs/dbraw/zinc/66/83/25/1039668325.db2.gz BWICKSSNSMZVEV-XQBPLPMBSA-N 2 1 378.988 3.933 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@](O)(CCc3ccc(Cl)cc3)C(C)(C)C)C[C@@H]2C1 ZINC001253487081 1039668335 /nfs/dbraw/zinc/66/83/35/1039668335.db2.gz BWICKSSNSMZVEV-XQBPLPMBSA-N 2 1 378.988 3.933 20 0 GHADMP CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)c(OC)c3)C2)n1 ZINC001234075281 1039809521 /nfs/dbraw/zinc/80/95/21/1039809521.db2.gz IELKNFZERHCFBW-KRWDZBQOSA-N 2 1 381.480 3.596 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001254118537 1039996098 /nfs/dbraw/zinc/99/60/98/1039996098.db2.gz PHGGWMYHNCQLAY-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC001254123810 1039999437 /nfs/dbraw/zinc/99/94/37/1039999437.db2.gz JETLQWJDZJHJEK-HSZRJFAPSA-N 2 1 398.595 3.747 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001234396335 1040000575 /nfs/dbraw/zinc/00/05/75/1040000575.db2.gz JTXKRNPDKNLUDN-IRLDBZIGSA-N 2 1 388.600 3.851 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001462430095 1070246386 /nfs/dbraw/zinc/24/63/86/1070246386.db2.gz XLBDLAYNUMRTEV-FQEVSTJZSA-N 2 1 379.589 3.687 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001254210323 1040066958 /nfs/dbraw/zinc/06/69/58/1040066958.db2.gz VDBANMPACBZWLI-LJQANCHMSA-N 2 1 388.556 3.738 20 0 GHADMP C[N@@H+](C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254260467 1040105788 /nfs/dbraw/zinc/10/57/88/1040105788.db2.gz CAIJWLSWODKOKP-IBGZPJMESA-N 2 1 393.572 3.641 20 0 GHADMP CC(=O)N1CCC([NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)CC1 ZINC001254426128 1040224075 /nfs/dbraw/zinc/22/40/75/1040224075.db2.gz RVSHCDIPHPHBFC-UHFFFAOYSA-N 2 1 383.580 3.684 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC001254511263 1040290573 /nfs/dbraw/zinc/29/05/73/1040290573.db2.gz XWMGNPQLLCZZTO-GOSISDBHSA-N 2 1 381.358 3.571 20 0 GHADMP CCOC(=O)c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c[nH]1 ZINC001234949745 1040452731 /nfs/dbraw/zinc/45/27/31/1040452731.db2.gz DJBFEQCGDWTWIG-LEWJYISDSA-N 2 1 381.520 3.535 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)[C@@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254710856 1040470821 /nfs/dbraw/zinc/47/08/21/1040470821.db2.gz AOWVQFPOONAHMI-SFHVURJKSA-N 2 1 397.629 3.678 20 0 GHADMP CC(C)(C)c1ccc(OCc2ccccc2)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234994163 1040488044 /nfs/dbraw/zinc/48/80/44/1040488044.db2.gz PUIRGTMSMYHWCK-VWLOTQADSA-N 2 1 393.575 3.700 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254730196 1040488170 /nfs/dbraw/zinc/48/81/70/1040488170.db2.gz AXNUIYAYDIKCOP-OALUTQOASA-N 2 1 379.589 3.878 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001254771121 1040531615 /nfs/dbraw/zinc/53/16/15/1040531615.db2.gz YROIPWDQACWWHV-WDSOQIARSA-N 2 1 377.573 3.900 20 0 GHADMP FC(F)(F)c1cc(Cl)c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235041824 1040536173 /nfs/dbraw/zinc/53/61/73/1040536173.db2.gz TXDTWMUBJGZNOP-MEBBXXQBSA-N 2 1 383.241 3.823 20 0 GHADMP FC(F)(F)c1cc(Cl)c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(Cl)c1 ZINC001235041824 1040536186 /nfs/dbraw/zinc/53/61/86/1040536186.db2.gz TXDTWMUBJGZNOP-MEBBXXQBSA-N 2 1 383.241 3.823 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(OCc2ccccc2)c1OC ZINC001235094532 1040585013 /nfs/dbraw/zinc/58/50/13/1040585013.db2.gz ZNLRYLLAZOIDTR-UHFFFAOYSA-N 2 1 396.531 3.858 20 0 GHADMP Brc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)sc1Br ZINC001235104233 1040591961 /nfs/dbraw/zinc/59/19/61/1040591961.db2.gz NNPZKPAQOIYVJW-UHFFFAOYSA-N 2 1 394.176 3.849 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)oc2c1 ZINC001235153993 1040645481 /nfs/dbraw/zinc/64/54/81/1040645481.db2.gz GUYUFFNHMPBNHO-INIZCTEOSA-N 2 1 378.314 3.944 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1OCCCOC ZINC001235157298 1040650881 /nfs/dbraw/zinc/65/08/81/1040650881.db2.gz IIVXWIOIXGWBCC-NRFANRHFSA-N 2 1 390.568 3.855 20 0 GHADMP Brc1ccc2n[nH]c(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159088 1040653345 /nfs/dbraw/zinc/65/33/45/1040653345.db2.gz VHXURIWFFDAZIU-SFHVURJKSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2[nH]nc(C[N@@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159088 1040653359 /nfs/dbraw/zinc/65/33/59/1040653359.db2.gz VHXURIWFFDAZIU-SFHVURJKSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2[nH]nc(C[N@H+]3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159088 1040653371 /nfs/dbraw/zinc/65/33/71/1040653371.db2.gz VHXURIWFFDAZIU-SFHVURJKSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2c(c1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)OCO2 ZINC001235159791 1040653959 /nfs/dbraw/zinc/65/39/59/1040653959.db2.gz OOMHXXOCYDQYJJ-MRXNPFEDSA-N 2 1 381.314 3.532 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)CC1 ZINC001235213997 1040696004 /nfs/dbraw/zinc/69/60/04/1040696004.db2.gz GCXOHPRHPZIUME-OAQYLSRUSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001235213997 1040696010 /nfs/dbraw/zinc/69/60/10/1040696010.db2.gz GCXOHPRHPZIUME-OAQYLSRUSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001235213997 1040696018 /nfs/dbraw/zinc/69/60/18/1040696018.db2.gz GCXOHPRHPZIUME-OAQYLSRUSA-N 2 1 378.605 3.545 20 0 GHADMP Ic1csc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235228355 1040710084 /nfs/dbraw/zinc/71/00/84/1040710084.db2.gz LWPONUJFSOYMDT-OAHLLOKOSA-N 2 1 390.334 3.707 20 0 GHADMP CCOc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(Br)cn1 ZINC001235238010 1040717609 /nfs/dbraw/zinc/71/76/09/1040717609.db2.gz OLSNWOPXFQEYKD-QGZVFWFLSA-N 2 1 382.346 3.597 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CN3CCC[C@]34C[NH2+]C[C@@H]4c3ccccc3)C2)cc1 ZINC001235248208 1040729982 /nfs/dbraw/zinc/72/99/82/1040729982.db2.gz PZIATYNUWOKUQG-ICDZXHCJSA-N 2 1 375.560 3.730 20 0 GHADMP C[NH+](C)CCN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255074000 1040766811 /nfs/dbraw/zinc/76/68/11/1040766811.db2.gz SBTOGDIGNBKECS-ISJGIBHGSA-N 2 1 377.576 3.903 20 0 GHADMP CN(C)CC[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255074000 1040766826 /nfs/dbraw/zinc/76/68/26/1040766826.db2.gz SBTOGDIGNBKECS-ISJGIBHGSA-N 2 1 377.576 3.903 20 0 GHADMP CN(C)CC[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255074000 1040766838 /nfs/dbraw/zinc/76/68/38/1040766838.db2.gz SBTOGDIGNBKECS-ISJGIBHGSA-N 2 1 377.576 3.903 20 0 GHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001462488727 1070296229 /nfs/dbraw/zinc/29/62/29/1070296229.db2.gz UKMDQMXRRHZYEB-NRFANRHFSA-N 2 1 379.589 3.974 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CCN(Cc1cccc(-c3ccc(C)cc3)c1)CC2 ZINC001235307489 1040781360 /nfs/dbraw/zinc/78/13/60/1040781360.db2.gz AOFMOMSVENAFFA-UHFFFAOYSA-N 2 1 391.559 3.838 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117888 1040805294 /nfs/dbraw/zinc/80/52/94/1040805294.db2.gz XDQSTFKFGRZGHK-LOSJGSFVSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117888 1040805314 /nfs/dbraw/zinc/80/53/14/1040805314.db2.gz XDQSTFKFGRZGHK-LOSJGSFVSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117888 1040805333 /nfs/dbraw/zinc/80/53/33/1040805333.db2.gz XDQSTFKFGRZGHK-LOSJGSFVSA-N 2 1 375.560 3.859 20 0 GHADMP Brc1cc(Br)cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1 ZINC001235336582 1040807807 /nfs/dbraw/zinc/80/78/07/1040807807.db2.gz ZJMCMXHOQNZPPJ-UHFFFAOYSA-N 2 1 388.147 3.643 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001255119965 1040809927 /nfs/dbraw/zinc/80/99/27/1040809927.db2.gz HBEHMFJHAFCDMN-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001255119965 1040809952 /nfs/dbraw/zinc/80/99/52/1040809952.db2.gz HBEHMFJHAFCDMN-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001255119965 1040809971 /nfs/dbraw/zinc/80/99/71/1040809971.db2.gz HBEHMFJHAFCDMN-ISJGIBHGSA-N 2 1 375.560 3.715 20 0 GHADMP FC(F)(F)Oc1ccc(Br)cc1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235340651 1040811388 /nfs/dbraw/zinc/81/13/88/1040811388.db2.gz URSJROHWPAWCOP-UHFFFAOYSA-N 2 1 393.247 3.779 20 0 GHADMP [NH3+][C@H](CO)Cc1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc12 ZINC001255125954 1040817077 /nfs/dbraw/zinc/81/70/77/1040817077.db2.gz IJSMJQNBPKFPRZ-GPJHCHHRSA-N 2 1 389.543 3.872 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348188 1040821797 /nfs/dbraw/zinc/82/17/97/1040821797.db2.gz CQXAFYWOUCBRMS-LGPLSSKUSA-N 2 1 389.587 3.978 20 0 GHADMP COc1ccnc(C2(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)c1 ZINC001255130800 1040824916 /nfs/dbraw/zinc/82/49/16/1040824916.db2.gz ATKDVDYKGFSNGI-WKCHPHFGSA-N 2 1 377.532 3.907 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(O)cc1 ZINC001255131274 1040827176 /nfs/dbraw/zinc/82/71/76/1040827176.db2.gz ZGVNJJSKMFQAMC-QXUYBEEESA-N 2 1 394.515 3.782 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(O)cc1 ZINC001255131274 1040827188 /nfs/dbraw/zinc/82/71/88/1040827188.db2.gz ZGVNJJSKMFQAMC-QXUYBEEESA-N 2 1 394.515 3.782 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2(c4ccccn4)CCOCC2)C3)cc1 ZINC001255131757 1040827271 /nfs/dbraw/zinc/82/72/71/1040827271.db2.gz GBJBJOSCKQJOSD-WBDAEOGXSA-N 2 1 391.559 3.915 20 0 GHADMP CN(CC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001255137421 1040840337 /nfs/dbraw/zinc/84/03/37/1040840337.db2.gz RDQGJYXSMKSNIE-ZBYYUNFXSA-N 2 1 399.579 3.981 20 0 GHADMP CN(CC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001255137421 1040840357 /nfs/dbraw/zinc/84/03/57/1040840357.db2.gz RDQGJYXSMKSNIE-ZBYYUNFXSA-N 2 1 399.579 3.981 20 0 GHADMP O=C1N(c2ccccc2)CC12C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255145509 1040858127 /nfs/dbraw/zinc/85/81/27/1040858127.db2.gz PQKFTVQLSBBAAG-NUNAXRQHSA-N 2 1 387.527 3.531 20 0 GHADMP O=C1N(c2ccccc2)CC12C[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255145509 1040858140 /nfs/dbraw/zinc/85/81/40/1040858140.db2.gz PQKFTVQLSBBAAG-NUNAXRQHSA-N 2 1 387.527 3.531 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255147160 1040860149 /nfs/dbraw/zinc/86/01/49/1040860149.db2.gz NBVGYSQFYXFBPR-QEIWAGNOSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255147160 1040860157 /nfs/dbraw/zinc/86/01/57/1040860157.db2.gz NBVGYSQFYXFBPR-QEIWAGNOSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255147160 1040860167 /nfs/dbraw/zinc/86/01/67/1040860167.db2.gz NBVGYSQFYXFBPR-QEIWAGNOSA-N 2 1 397.607 3.757 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC(Oc4ccncn4)CC2)C3)cc1 ZINC001255151240 1040873173 /nfs/dbraw/zinc/87/31/73/1040873173.db2.gz URODOBAFCAGEON-AERCQKQUSA-N 2 1 378.520 3.515 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(OCc2ccccc2)cc1C ZINC001235379227 1040900157 /nfs/dbraw/zinc/90/01/57/1040900157.db2.gz MOCJCGHFRAIDGR-JBRSBNLGSA-N 2 1 392.543 3.835 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](CC2CCN(c4ccccc4)CC2)C3)cc1 ZINC001235379725 1040900220 /nfs/dbraw/zinc/90/02/20/1040900220.db2.gz QIUZNKDSPLYSET-RPBOFIJWSA-N 2 1 375.560 3.982 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001255194031 1040900957 /nfs/dbraw/zinc/90/09/57/1040900957.db2.gz ZVVPYLSZEPAUAQ-HRMJIJJXSA-N 2 1 385.552 3.910 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1 ZINC001235380885 1040901108 /nfs/dbraw/zinc/90/11/08/1040901108.db2.gz WWJFGESOPHMDEJ-CDNPAEQRSA-N 2 1 381.495 3.546 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235385830 1040904844 /nfs/dbraw/zinc/90/48/44/1040904844.db2.gz VHJAORLIPXEPFG-PAINBRILSA-N 2 1 390.527 3.626 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3ncc(Br)cc3c1)C2 ZINC001235400243 1040913484 /nfs/dbraw/zinc/91/34/84/1040913484.db2.gz CRVBRSWVPTVWJW-MSOLQXFVSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3ncc(Br)cc3c1)C2 ZINC001235400243 1040913486 /nfs/dbraw/zinc/91/34/86/1040913486.db2.gz CRVBRSWVPTVWJW-MSOLQXFVSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C2 ZINC001235408061 1040918557 /nfs/dbraw/zinc/91/85/57/1040918557.db2.gz STXWNRPEZNJVHI-SJLPKXTDSA-N 2 1 382.405 3.619 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C2 ZINC001235408061 1040918568 /nfs/dbraw/zinc/91/85/68/1040918568.db2.gz STXWNRPEZNJVHI-SJLPKXTDSA-N 2 1 382.405 3.619 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(Br)c1O ZINC001235423522 1040925957 /nfs/dbraw/zinc/92/59/57/1040925957.db2.gz GVZXNXPKELDOSZ-CVEARBPZSA-N 2 1 397.357 3.765 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)cc1Br ZINC001235426382 1040927355 /nfs/dbraw/zinc/92/73/55/1040927355.db2.gz KQWHNXYBZMDCTF-HUUCEWRRSA-N 2 1 397.357 3.678 20 0 GHADMP Brc1cccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)oc21 ZINC001235430143 1040930761 /nfs/dbraw/zinc/93/07/61/1040930761.db2.gz FLNAUHNGPBRZSE-ZIAGYGMSSA-N 2 1 378.314 3.802 20 0 GHADMP Brc1cccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)oc21 ZINC001235430143 1040930763 /nfs/dbraw/zinc/93/07/63/1040930763.db2.gz FLNAUHNGPBRZSE-ZIAGYGMSSA-N 2 1 378.314 3.802 20 0 GHADMP O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235491476 1040960094 /nfs/dbraw/zinc/96/00/94/1040960094.db2.gz RKTBAUOCSQRCMK-HSZRJFAPSA-N 2 1 387.543 3.563 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001255363909 1040963444 /nfs/dbraw/zinc/96/34/44/1040963444.db2.gz BLOLBGKAHYOAGT-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001255363909 1040963445 /nfs/dbraw/zinc/96/34/45/1040963445.db2.gz BLOLBGKAHYOAGT-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001255363909 1040963447 /nfs/dbraw/zinc/96/34/47/1040963447.db2.gz BLOLBGKAHYOAGT-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)C1 ZINC001255363909 1040963453 /nfs/dbraw/zinc/96/34/53/1040963453.db2.gz BLOLBGKAHYOAGT-RNTGTLJKSA-N 2 1 399.579 3.736 20 0 GHADMP C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001255386962 1040975288 /nfs/dbraw/zinc/97/52/88/1040975288.db2.gz DGLIPSMKCSKCTE-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255387410 1040976317 /nfs/dbraw/zinc/97/63/17/1040976317.db2.gz RVYODXXCUGLXSG-NJYVYQBISA-N 2 1 387.568 3.934 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391971 1040980112 /nfs/dbraw/zinc/98/01/12/1040980112.db2.gz WMROCKIKZPQAAA-QFIPXVFZSA-N 2 1 393.575 4.000 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](C[C@H]([NH3+])Cc2ccccc2)C3)c1 ZINC001235548389 1040982314 /nfs/dbraw/zinc/98/23/14/1040982314.db2.gz UKBCBHGAJYEIPC-SMIHKQSGSA-N 2 1 379.548 3.579 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C3)c1 ZINC001235548389 1040982315 /nfs/dbraw/zinc/98/23/15/1040982315.db2.gz UKBCBHGAJYEIPC-SMIHKQSGSA-N 2 1 379.548 3.579 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399370 1040985693 /nfs/dbraw/zinc/98/56/93/1040985693.db2.gz QVBXPOHIXNTAEJ-CEXWTWQISA-N 2 1 388.449 3.768 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399370 1040985707 /nfs/dbraw/zinc/98/57/07/1040985707.db2.gz QVBXPOHIXNTAEJ-CEXWTWQISA-N 2 1 388.449 3.768 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399370 1040985711 /nfs/dbraw/zinc/98/57/11/1040985711.db2.gz QVBXPOHIXNTAEJ-CEXWTWQISA-N 2 1 388.449 3.768 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400713 1040986222 /nfs/dbraw/zinc/98/62/22/1040986222.db2.gz MXKCDUMHXYVSNF-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400713 1040986223 /nfs/dbraw/zinc/98/62/23/1040986223.db2.gz MXKCDUMHXYVSNF-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255400713 1040986229 /nfs/dbraw/zinc/98/62/29/1040986229.db2.gz MXKCDUMHXYVSNF-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255405863 1040992581 /nfs/dbraw/zinc/99/25/81/1040992581.db2.gz ZKLBIHQHQQYJGX-QHCPKHFHSA-N 2 1 383.580 3.908 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408710 1040994898 /nfs/dbraw/zinc/99/48/98/1040994898.db2.gz AZCVKFSMHIHNSE-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1cc(C)nc(N(C2CC[NH2+]CC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255409154 1040995803 /nfs/dbraw/zinc/99/58/03/1040995803.db2.gz GUERCLDBQUFADI-JOCHJYFZSA-N 2 1 393.579 3.707 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409697 1040998251 /nfs/dbraw/zinc/99/82/51/1040998251.db2.gz LDCKKNHDMBSDFY-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409697 1040998253 /nfs/dbraw/zinc/99/82/53/1040998253.db2.gz LDCKKNHDMBSDFY-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409697 1040998255 /nfs/dbraw/zinc/99/82/55/1040998255.db2.gz LDCKKNHDMBSDFY-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409697 1040998263 /nfs/dbraw/zinc/99/82/63/1040998263.db2.gz LDCKKNHDMBSDFY-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255410408 1041005105 /nfs/dbraw/zinc/00/51/05/1041005105.db2.gz WQNGIMDPJPLFBR-NRFANRHFSA-N 2 1 380.536 3.683 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235616835 1041036276 /nfs/dbraw/zinc/03/62/76/1041036276.db2.gz SEIZTYGLXAEDBM-MJGOQNOKSA-N 2 1 390.556 3.566 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C[C@H]21 ZINC001235616053 1041038022 /nfs/dbraw/zinc/03/80/22/1041038022.db2.gz NWPTZVASVIANRW-YADHBBJMSA-N 2 1 384.527 3.505 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1-c1ccncc1)C2 ZINC001235620131 1041040854 /nfs/dbraw/zinc/04/08/54/1041040854.db2.gz OOTYHDWNORBQQX-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](C4CCC(C(C)(C)C)CC4)C3)O2)CC1 ZINC001255503753 1041096721 /nfs/dbraw/zinc/09/67/21/1041096721.db2.gz XVCNVGYPSYGOEK-HNYUPJOQSA-N 2 1 391.644 3.852 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](C4CCC(C(C)(C)C)CC4)C3)O2)CC1 ZINC001255503753 1041096741 /nfs/dbraw/zinc/09/67/41/1041096741.db2.gz XVCNVGYPSYGOEK-HNYUPJOQSA-N 2 1 391.644 3.852 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](C4CCC(C(C)(C)C)CC4)C3)O2)CC1 ZINC001255503753 1041096760 /nfs/dbraw/zinc/09/67/60/1041096760.db2.gz XVCNVGYPSYGOEK-HNYUPJOQSA-N 2 1 391.644 3.852 20 0 GHADMP C[N@H+](Cc1ccccc1F)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235692007 1041167458 /nfs/dbraw/zinc/16/74/58/1041167458.db2.gz MPHUKEHLHWSRMS-UHFFFAOYSA-N 2 1 392.316 3.630 20 0 GHADMP C[N@@H+](Cc1ccccc1F)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001235692007 1041167466 /nfs/dbraw/zinc/16/74/66/1041167466.db2.gz MPHUKEHLHWSRMS-UHFFFAOYSA-N 2 1 392.316 3.630 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+](C)CCC2CC[NH2+]CC2)cc1 ZINC001235717729 1041201264 /nfs/dbraw/zinc/20/12/64/1041201264.db2.gz LBZQNTVVFVXWSE-UHFFFAOYSA-N 2 1 396.531 3.874 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001255789504 1041294954 /nfs/dbraw/zinc/29/49/54/1041294954.db2.gz CIZHUDOVQGAASA-QFIPXVFZSA-N 2 1 393.575 3.936 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)C1 ZINC001255911682 1041394414 /nfs/dbraw/zinc/39/44/14/1041394414.db2.gz LJWOXIWXHAOEJO-FGTMMUONSA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911682 1041394422 /nfs/dbraw/zinc/39/44/22/1041394422.db2.gz LJWOXIWXHAOEJO-FGTMMUONSA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911682 1041394424 /nfs/dbraw/zinc/39/44/24/1041394424.db2.gz LJWOXIWXHAOEJO-FGTMMUONSA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911682 1041394438 /nfs/dbraw/zinc/39/44/38/1041394438.db2.gz LJWOXIWXHAOEJO-FGTMMUONSA-N 2 1 391.581 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911682 1041394442 /nfs/dbraw/zinc/39/44/42/1041394442.db2.gz LJWOXIWXHAOEJO-FGTMMUONSA-N 2 1 391.581 3.511 20 0 GHADMP Clc1cccc([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C2)c1Cl ZINC001235884699 1041411198 /nfs/dbraw/zinc/41/11/98/1041411198.db2.gz LSHDCWAMAUSGRZ-INIZCTEOSA-N 2 1 391.346 3.788 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H](C2(NC(=O)OC(C)(C)C)CC2)[C@H](CF)C1 ZINC001255958721 1041437018 /nfs/dbraw/zinc/43/70/18/1041437018.db2.gz FFGRJXWYYNAZGG-KSZLIROESA-N 2 1 385.568 3.682 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001255960946 1041439706 /nfs/dbraw/zinc/43/97/06/1041439706.db2.gz BDPSPDQHAHOXSF-JOCHJYFZSA-N 2 1 387.612 3.782 20 0 GHADMP COCCC[N@@H+](Cc1ccc(Br)c(Cl)c1)C1CC[NH2+]CC1 ZINC001235938435 1041443110 /nfs/dbraw/zinc/44/31/10/1041443110.db2.gz VTBFEUYACBEKIG-UHFFFAOYSA-N 2 1 375.738 3.693 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001255963471 1041444927 /nfs/dbraw/zinc/44/49/27/1041444927.db2.gz QRQBPHBAMARGBO-GOSISDBHSA-N 2 1 377.598 3.797 20 0 GHADMP COCCC[N@H+](Cc1cccc(OCc2ccccc2)c1OC)C1CC[NH2+]CC1 ZINC001235939688 1041446642 /nfs/dbraw/zinc/44/66/42/1041446642.db2.gz GPXLTQXCMQQTAS-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COCCC[N@@H+](Cc1cccc(OCc2ccccc2)c1OC)C1CC[NH2+]CC1 ZINC001235939688 1041446646 /nfs/dbraw/zinc/44/66/46/1041446646.db2.gz GPXLTQXCMQQTAS-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP Cc1ccc([C@]2(C)C[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CCO2)cc1 ZINC001235948278 1041453138 /nfs/dbraw/zinc/45/31/38/1041453138.db2.gz LHIYJVDLFHJZKG-DEOSSOPVSA-N 2 1 375.516 3.801 20 0 GHADMP C[N@@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235958321 1041466093 /nfs/dbraw/zinc/46/60/93/1041466093.db2.gz ZFNXXJXWWQJXGB-LBPRGKRZSA-N 2 1 381.236 3.779 20 0 GHADMP C[N@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C[C@H]1CCC[NH2+]C1 ZINC001235958321 1041466102 /nfs/dbraw/zinc/46/61/02/1041466102.db2.gz ZFNXXJXWWQJXGB-LBPRGKRZSA-N 2 1 381.236 3.779 20 0 GHADMP Cc1cc2ccccc2nc1N1CC[NH+](Cc2cc3c(s2)C[NH2+]CC3)CC1 ZINC001235971780 1041475752 /nfs/dbraw/zinc/47/57/52/1041475752.db2.gz AKDDVTALNVZVLT-UHFFFAOYSA-N 2 1 378.545 3.573 20 0 GHADMP Oc1cc(Br)cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235976818 1041482565 /nfs/dbraw/zinc/48/25/65/1041482565.db2.gz FYBLSNUBRBEERH-UHFFFAOYSA-N 2 1 387.321 3.792 20 0 GHADMP Oc1cc(Br)cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235976818 1041482574 /nfs/dbraw/zinc/48/25/74/1041482574.db2.gz FYBLSNUBRBEERH-UHFFFAOYSA-N 2 1 387.321 3.792 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC2CC2)([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072044 1041507629 /nfs/dbraw/zinc/50/76/29/1041507629.db2.gz HDZFWNKJYFDLPX-UHFFFAOYSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256076138 1041509958 /nfs/dbraw/zinc/50/99/58/1041509958.db2.gz VCIMMPLUONJTPK-JOCHJYFZSA-N 2 1 377.573 3.869 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]12CCC[N@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256076138 1041509963 /nfs/dbraw/zinc/50/99/63/1041509963.db2.gz VCIMMPLUONJTPK-JOCHJYFZSA-N 2 1 377.573 3.869 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075520 1041510050 /nfs/dbraw/zinc/51/00/50/1041510050.db2.gz MMAAIGUJFIPBSZ-QFIPXVFZSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+](C3CC[NH+](C4CC4)CC3)C2)C1 ZINC001256075520 1041510055 /nfs/dbraw/zinc/51/00/55/1041510055.db2.gz MMAAIGUJFIPBSZ-QFIPXVFZSA-N 2 1 377.573 3.726 20 0 GHADMP CCOC(=O)[C@]12C[N@H+](Cc3sccc3Oc3ccccc3)C[C@H]1C[NH2+]CC2 ZINC001236038108 1041512467 /nfs/dbraw/zinc/51/24/67/1041512467.db2.gz GNAALUOCLGICIR-IIBYNOLFSA-N 2 1 386.517 3.515 20 0 GHADMP CCOC(=O)[C@]12C[N@@H+](Cc3sccc3Oc3ccccc3)C[C@H]1C[NH2+]CC2 ZINC001236038108 1041512478 /nfs/dbraw/zinc/51/24/78/1041512478.db2.gz GNAALUOCLGICIR-IIBYNOLFSA-N 2 1 386.517 3.515 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001236043626 1041513732 /nfs/dbraw/zinc/51/37/32/1041513732.db2.gz ZDKDDTHVEJPDNS-TZIWHRDSSA-N 3 1 391.550 3.855 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001236080970 1041524756 /nfs/dbraw/zinc/52/47/56/1041524756.db2.gz JAKADTJZFHQRGV-UHFFFAOYSA-N 2 1 393.453 3.835 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC001236083170 1041525963 /nfs/dbraw/zinc/52/59/63/1041525963.db2.gz PPKYHARVELRHJX-UHFFFAOYSA-N 2 1 377.454 3.709 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224856 1041631342 /nfs/dbraw/zinc/63/13/42/1041631342.db2.gz XPEYLDZKNLFBFH-RQNOJGIXSA-N 3 1 392.591 3.711 20 0 GHADMP C[N@H+](Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224856 1041631350 /nfs/dbraw/zinc/63/13/50/1041631350.db2.gz XPEYLDZKNLFBFH-RQNOJGIXSA-N 2 1 392.591 3.711 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224856 1041631357 /nfs/dbraw/zinc/63/13/57/1041631357.db2.gz XPEYLDZKNLFBFH-RQNOJGIXSA-N 2 1 392.591 3.711 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC001236295457 1041663272 /nfs/dbraw/zinc/66/32/72/1041663272.db2.gz QHWXOLKVVRCNTH-JRGCBEDISA-N 2 1 376.516 3.749 20 0 GHADMP [NH3+]Cc1cccc(C[N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001236313239 1041667523 /nfs/dbraw/zinc/66/75/23/1041667523.db2.gz YNVRXBDSTFKPSL-VWLOTQADSA-N 2 1 399.538 3.949 20 0 GHADMP O=C1C[C@H]([N@@H+](CC[C@@H]2CCC[NH2+]C2)Cc2ccccc2)CN1Cc1ccccc1 ZINC001236314682 1041669068 /nfs/dbraw/zinc/66/90/68/1041669068.db2.gz NGYVJTWTAANDGP-URXFXBBRSA-N 2 1 391.559 3.679 20 0 GHADMP CCOC(=O)N1CCC([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001256247545 1041673390 /nfs/dbraw/zinc/67/33/90/1041673390.db2.gz UGJRUEGEQOJBPS-UHFFFAOYSA-N 2 1 399.579 3.986 20 0 GHADMP Fc1ccccc1CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001236367984 1041683916 /nfs/dbraw/zinc/68/39/16/1041683916.db2.gz RFOHXDMYMZMEHT-NRFANRHFSA-N 2 1 381.539 3.902 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001256288250 1041685406 /nfs/dbraw/zinc/68/54/06/1041685406.db2.gz RCOHZDUHEAUVPZ-UHFFFAOYSA-N 2 1 393.959 3.989 20 0 GHADMP CCOc1ncc(Br)cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374871 1041687733 /nfs/dbraw/zinc/68/77/33/1041687733.db2.gz GBBCEANDZATAMY-HNNXBMFYSA-N 2 1 396.373 3.987 20 0 GHADMP CCOc1ncc(Br)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374871 1041687738 /nfs/dbraw/zinc/68/77/38/1041687738.db2.gz GBBCEANDZATAMY-HNNXBMFYSA-N 2 1 396.373 3.987 20 0 GHADMP Fc1ccc(C[N@@H+](C[C@H]2COC3(CCCCC3)O2)CC2CC[NH2+]CC2)cc1 ZINC001236381693 1041690422 /nfs/dbraw/zinc/69/04/22/1041690422.db2.gz MACTWSSBPVDUEB-NRFANRHFSA-N 2 1 376.516 3.703 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1 ZINC001236380777 1041690468 /nfs/dbraw/zinc/69/04/68/1041690468.db2.gz HIDRXVCYOXFRHY-UHFFFAOYSA-N 2 1 397.538 3.966 20 0 GHADMP COC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)s1 ZINC001236383014 1041691364 /nfs/dbraw/zinc/69/13/64/1041691364.db2.gz QLNPRPQTXKZYQN-UHFFFAOYSA-N 2 1 376.497 3.676 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236388748 1041694628 /nfs/dbraw/zinc/69/46/28/1041694628.db2.gz OJPNGKVLSSHNKI-YFVAEKQCSA-N 2 1 376.516 3.749 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236388748 1041694633 /nfs/dbraw/zinc/69/46/33/1041694633.db2.gz OJPNGKVLSSHNKI-YFVAEKQCSA-N 2 1 376.516 3.749 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401319 1041702663 /nfs/dbraw/zinc/70/26/63/1041702663.db2.gz OQPREXOWVXLQKR-KRWDZBQOSA-N 2 1 384.495 3.987 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001278930576 1041704754 /nfs/dbraw/zinc/70/47/54/1041704754.db2.gz OKKVZQCREOXWTL-GOSISDBHSA-N 2 1 377.330 3.633 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001278930576 1041704758 /nfs/dbraw/zinc/70/47/58/1041704758.db2.gz OKKVZQCREOXWTL-GOSISDBHSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001278930576 1041704766 /nfs/dbraw/zinc/70/47/66/1041704766.db2.gz OKKVZQCREOXWTL-GOSISDBHSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001278930576 1041704774 /nfs/dbraw/zinc/70/47/74/1041704774.db2.gz OKKVZQCREOXWTL-GOSISDBHSA-N 2 1 377.330 3.633 20 0 GHADMP CC[N@H+](Cc1cc(Br)c(C)c(Br)c1)C[C@@H]1CC[NH2+]C1 ZINC001236411667 1041705756 /nfs/dbraw/zinc/70/57/56/1041705756.db2.gz NXIZGXCRCSTPTK-GFCCVEGCSA-N 2 1 390.163 3.951 20 0 GHADMP COc1ccc(C[N@H+](Cc2cc3c(c(OC)c2)OCC=C3)C2CC[NH2+]CC2)cc1 ZINC001236448879 1041717028 /nfs/dbraw/zinc/71/70/28/1041717028.db2.gz ZAIIINZDRYPMFV-UHFFFAOYSA-N 2 1 394.515 3.864 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc3c(c(OC)c2)OCC=C3)C2CC[NH2+]CC2)cc1 ZINC001236448879 1041717032 /nfs/dbraw/zinc/71/70/32/1041717032.db2.gz ZAIIINZDRYPMFV-UHFFFAOYSA-N 2 1 394.515 3.864 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCc2ccc(Cl)cc2)C2CC[NH2+]CC2)c1 ZINC001236465222 1041727282 /nfs/dbraw/zinc/72/72/82/1041727282.db2.gz QGKJXVHDVPRQSX-UHFFFAOYSA-N 2 1 386.923 3.923 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256461174 1041742793 /nfs/dbraw/zinc/74/27/93/1041742793.db2.gz IARZOAIBHLXRLE-GGPKGHCWSA-N 2 1 375.557 3.871 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cnc3c(C)cccn23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544119 1041757824 /nfs/dbraw/zinc/75/78/24/1041757824.db2.gz BRCMKDODASVWEM-MXVIHJGJSA-N 2 1 378.520 3.923 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236553803 1041760506 /nfs/dbraw/zinc/76/05/06/1041760506.db2.gz UETDCZLUIJXULU-QAQDUYKDSA-N 2 1 395.341 3.718 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(-c3ccccc3C[NH+]3CCCCC3)cc2)CC1 ZINC001236558941 1041762586 /nfs/dbraw/zinc/76/25/86/1041762586.db2.gz FWRJAACWBSETOY-UHFFFAOYSA-N 2 1 377.532 3.727 20 0 GHADMP COc1ncc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)cc1Br ZINC001236571887 1041766397 /nfs/dbraw/zinc/76/63/97/1041766397.db2.gz LSMXQXQUWBYPBP-KOMQPUFPSA-N 2 1 382.346 3.867 20 0 GHADMP Cc1cc(OCc2ccccc2)ccc1CN1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC001236583317 1041767615 /nfs/dbraw/zinc/76/76/15/1041767615.db2.gz MHMZUAJBQIOGKZ-UHFFFAOYSA-N 2 1 393.575 3.962 20 0 GHADMP CC(C)c1ccc(CN2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)c(Br)c1 ZINC001236622397 1041787776 /nfs/dbraw/zinc/78/77/76/1041787776.db2.gz MXYXQUDWFSGUTC-GOSISDBHSA-N 2 1 380.374 3.570 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1c(OC)cccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700590 1041841449 /nfs/dbraw/zinc/84/14/49/1041841449.db2.gz LQZQEZVBSQTQJB-WGSAOQKQSA-N 2 1 384.520 3.985 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723351 1041857374 /nfs/dbraw/zinc/85/73/74/1041857374.db2.gz UKBPTPRTZILZKL-RQNOJGIXSA-N 3 1 392.591 3.677 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236723728 1041857638 /nfs/dbraw/zinc/85/76/38/1041857638.db2.gz XAFLAJLYIJXTJK-WGSAOQKQSA-N 2 1 384.520 3.990 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)ccc1O ZINC001236729071 1041861566 /nfs/dbraw/zinc/86/15/66/1041861566.db2.gz LLQZQGGVOPGQFI-MXVIHJGJSA-N 2 1 382.504 3.759 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc(OC)c1 ZINC001236760019 1041876611 /nfs/dbraw/zinc/87/66/11/1041876611.db2.gz PBSPPNFECDXMOO-UHFFFAOYSA-N 2 1 398.503 3.563 20 0 GHADMP CCOC(=O)c1cn2cccc(C[N@@H+](C(CC)CC)[C@H]3CC[C@H]([NH3+])CC3)c2n1 ZINC001236789935 1041895989 /nfs/dbraw/zinc/89/59/89/1041895989.db2.gz BHSZLMYYSMNQNG-UAPYVXQJSA-N 2 1 386.540 3.772 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3C[C@@H]4C[C@H]3CN4c3ccccc3Cl)c2)CC1 ZINC001236895469 1041944233 /nfs/dbraw/zinc/94/42/33/1041944233.db2.gz OQLUXKRZCKFAEG-SFTDATJTSA-N 2 1 396.966 3.555 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@@H+]3CCC[C@@H](Oc4ccccc4)C3)ccc2F)CC1 ZINC001236963808 1041971356 /nfs/dbraw/zinc/97/13/56/1041971356.db2.gz NAYPSSRSSNHIAH-OAQYLSRUSA-N 2 1 383.511 3.621 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@H+]3CCC[C@@H](Oc4ccccc4)C3)ccc2F)CC1 ZINC001236963808 1041971359 /nfs/dbraw/zinc/97/13/59/1041971359.db2.gz NAYPSSRSSNHIAH-OAQYLSRUSA-N 2 1 383.511 3.621 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC4(CC3)OCc3ccccc34)ccc2F)CC1 ZINC001236962989 1041971554 /nfs/dbraw/zinc/97/15/54/1041971554.db2.gz GZZMSHJGMJPGPW-UHFFFAOYSA-N 2 1 395.522 3.599 20 0 GHADMP COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966401 1041972174 /nfs/dbraw/zinc/97/21/74/1041972174.db2.gz GCKUGOJUPRXCNL-GOSISDBHSA-N 2 1 385.527 3.649 20 0 GHADMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236966401 1041972176 /nfs/dbraw/zinc/97/21/76/1041972176.db2.gz GCKUGOJUPRXCNL-GOSISDBHSA-N 2 1 385.527 3.649 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)ccc2F)CC1 ZINC001236974056 1041974380 /nfs/dbraw/zinc/97/43/80/1041974380.db2.gz QGOGRKZCISRNPP-QFIPXVFZSA-N 2 1 397.538 3.759 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)ccc2F)CC1 ZINC001236974056 1041974385 /nfs/dbraw/zinc/97/43/85/1041974385.db2.gz QGOGRKZCISRNPP-QFIPXVFZSA-N 2 1 397.538 3.759 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cncc(-c3ccc(C)cc3)c2)CC1 ZINC001236994795 1041981937 /nfs/dbraw/zinc/98/19/37/1041981937.db2.gz WSENQWJKDLEVMY-UHFFFAOYSA-N 2 1 380.580 3.907 20 0 GHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cn3c4c2cccc4C[NH2+]CC3)cc1 ZINC001237041661 1042002060 /nfs/dbraw/zinc/00/20/60/1042002060.db2.gz IWTNMOHYBCEOMC-QFIPXVFZSA-N 2 1 389.499 3.868 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccnc5c(Cl)cccc45)C[C@H]3C2)cn1 ZINC001237147947 1042064391 /nfs/dbraw/zinc/06/43/91/1042064391.db2.gz KKCBDGXNUUJWOA-IEBWSBKVSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccnc5c(Cl)cccc45)C[C@H]3C2)cn1 ZINC001237147947 1042064396 /nfs/dbraw/zinc/06/43/96/1042064396.db2.gz KKCBDGXNUUJWOA-IEBWSBKVSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccnc5c(Cl)cccc45)C[C@H]3C2)cn1 ZINC001237147947 1042064399 /nfs/dbraw/zinc/06/43/99/1042064399.db2.gz KKCBDGXNUUJWOA-IEBWSBKVSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccnc5c(Cl)cccc45)C[C@H]3C2)cn1 ZINC001237147947 1042064402 /nfs/dbraw/zinc/06/44/02/1042064402.db2.gz KKCBDGXNUUJWOA-IEBWSBKVSA-N 2 1 395.938 3.576 20 0 GHADMP Fc1cccc2c1CC[C@]21CCC[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001237188924 1042085581 /nfs/dbraw/zinc/08/55/81/1042085581.db2.gz SCTKFRWBRLOTDS-VWLOTQADSA-N 2 1 393.550 3.711 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(OC)c1Cl)C2 ZINC001237192024 1042087589 /nfs/dbraw/zinc/08/75/89/1042087589.db2.gz SFURVTBHOKZXPA-RXVVDRJESA-N 2 1 378.944 3.529 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)ccc2[nH]1 ZINC001237308684 1042137794 /nfs/dbraw/zinc/13/77/94/1042137794.db2.gz ZRPZEHHUHUVRPQ-QZTJIDSGSA-N 2 1 395.528 3.580 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393584 1042187449 /nfs/dbraw/zinc/18/74/49/1042187449.db2.gz CYPSXIFYILONMC-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393584 1042187453 /nfs/dbraw/zinc/18/74/53/1042187453.db2.gz CYPSXIFYILONMC-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393584 1042187457 /nfs/dbraw/zinc/18/74/57/1042187457.db2.gz CYPSXIFYILONMC-UXHICEINSA-N 2 1 390.531 3.916 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001237532211 1042253914 /nfs/dbraw/zinc/25/39/14/1042253914.db2.gz ICUCGQYEZSSAFH-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001237532211 1042253924 /nfs/dbraw/zinc/25/39/24/1042253924.db2.gz ICUCGQYEZSSAFH-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237537277 1042255225 /nfs/dbraw/zinc/25/52/25/1042255225.db2.gz FTPSJDSVUFNQKB-FQEVSTJZSA-N 2 1 396.560 3.651 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001237709545 1042336786 /nfs/dbraw/zinc/33/67/86/1042336786.db2.gz ZXTNUAWOEUYBAZ-HXUWFJFHSA-N 2 1 384.520 3.852 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cnc(C3CC3)s1)CC2 ZINC001237787240 1042368964 /nfs/dbraw/zinc/36/89/64/1042368964.db2.gz TUHLEYIZJPLFSO-LJQANCHMSA-N 2 1 398.576 3.671 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@]4(CCN(CC5CC5)C4=O)C3)cc21 ZINC001237875773 1042404769 /nfs/dbraw/zinc/40/47/69/1042404769.db2.gz CXXSIOWNCREKJQ-VWLOTQADSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)n1 ZINC001237879098 1042406851 /nfs/dbraw/zinc/40/68/51/1042406851.db2.gz JHEMPTWQURVXOY-LJQANCHMSA-N 2 1 394.519 3.530 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)nc1 ZINC001237879140 1042406972 /nfs/dbraw/zinc/40/69/72/1042406972.db2.gz JTDKBQFTJYYBRR-FQEVSTJZSA-N 2 1 378.520 3.830 20 0 GHADMP COc1ccc(Br)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1F ZINC001237929491 1042425613 /nfs/dbraw/zinc/42/56/13/1042425613.db2.gz YWFBRHMFFGBJLZ-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP Fc1cc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cn1 ZINC001238024003 1042463836 /nfs/dbraw/zinc/46/38/36/1042463836.db2.gz ZQHMNLBXRPBNAL-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCc1ccc(Cl)cc1Cl)CC2 ZINC001278216524 1042552749 /nfs/dbraw/zinc/55/27/49/1042552749.db2.gz SVGCHIIIALDEFA-UHFFFAOYSA-N 2 1 384.395 3.885 20 0 GHADMP C[NH+](C)CCN1CCC2(C1)CC[NH+](CCc1ccc(Cl)cc1Cl)CC2 ZINC001278216524 1042552753 /nfs/dbraw/zinc/55/27/53/1042552753.db2.gz SVGCHIIIALDEFA-UHFFFAOYSA-N 2 1 384.395 3.885 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(Cl)cn1 ZINC001238358181 1042568392 /nfs/dbraw/zinc/56/83/92/1042568392.db2.gz RKDGGJXUDIEUIE-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COc1cnc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c(Cl)c1 ZINC001238487373 1042615784 /nfs/dbraw/zinc/61/57/84/1042615784.db2.gz YUCHFLVCQHIVSU-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COc1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(Cl)c1 ZINC001238487373 1042615789 /nfs/dbraw/zinc/61/57/89/1042615789.db2.gz YUCHFLVCQHIVSU-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238640334 1042666377 /nfs/dbraw/zinc/66/63/77/1042666377.db2.gz KTQWMBKJJDTDBZ-UHFFFAOYSA-N 2 1 389.927 3.719 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238640334 1042666379 /nfs/dbraw/zinc/66/63/79/1042666379.db2.gz KTQWMBKJJDTDBZ-UHFFFAOYSA-N 2 1 389.927 3.719 20 0 GHADMP Cc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(C)c1I ZINC001238729071 1042705283 /nfs/dbraw/zinc/70/52/83/1042705283.db2.gz JLDHOHWIQYQKQT-UHFFFAOYSA-N 2 1 386.321 3.826 20 0 GHADMP Cc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(C)c1I ZINC001238729071 1042705288 /nfs/dbraw/zinc/70/52/88/1042705288.db2.gz JLDHOHWIQYQKQT-UHFFFAOYSA-N 2 1 386.321 3.826 20 0 GHADMP COc1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cccc1OCc1ccccc1 ZINC001238741094 1042709086 /nfs/dbraw/zinc/70/90/86/1042709086.db2.gz FYHRRRBPICDPPC-UHFFFAOYSA-N 2 1 389.499 3.991 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523359 1043450746 /nfs/dbraw/zinc/45/07/46/1043450746.db2.gz OGFDVLXUCCPQRW-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523359 1043450758 /nfs/dbraw/zinc/45/07/58/1043450758.db2.gz OGFDVLXUCCPQRW-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001256530555 1043461632 /nfs/dbraw/zinc/46/16/32/1043461632.db2.gz NCVGTPKBLMLQPI-KNQAVFIVSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256530555 1043461641 /nfs/dbraw/zinc/46/16/41/1043461641.db2.gz NCVGTPKBLMLQPI-KNQAVFIVSA-N 2 1 377.532 3.609 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)NC3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530282 1043461665 /nfs/dbraw/zinc/46/16/65/1043461665.db2.gz BBQUHTXYXHKMBY-XXBNENTESA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)NC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530282 1043461674 /nfs/dbraw/zinc/46/16/74/1043461674.db2.gz BBQUHTXYXHKMBY-XXBNENTESA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256534940 1043473632 /nfs/dbraw/zinc/47/36/32/1043473632.db2.gz VMHXBYAKHWXQLB-TYPHKJRUSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256534940 1043473651 /nfs/dbraw/zinc/47/36/51/1043473651.db2.gz VMHXBYAKHWXQLB-TYPHKJRUSA-N 2 1 395.522 3.683 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535432 1043476501 /nfs/dbraw/zinc/47/65/01/1043476501.db2.gz ZIMYBQXAHQCLFE-ZTCOLXNVSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535432 1043476502 /nfs/dbraw/zinc/47/65/02/1043476502.db2.gz ZIMYBQXAHQCLFE-ZTCOLXNVSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535430 1043477071 /nfs/dbraw/zinc/47/70/71/1043477071.db2.gz ZIMYBQXAHQCLFE-OYDLWJJNSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001256535430 1043477091 /nfs/dbraw/zinc/47/70/91/1043477091.db2.gz ZIMYBQXAHQCLFE-OYDLWJJNSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256538223 1043483567 /nfs/dbraw/zinc/48/35/67/1043483567.db2.gz SCSITSUOUDHDOB-KAGYGMCKSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256538223 1043483570 /nfs/dbraw/zinc/48/35/70/1043483570.db2.gz SCSITSUOUDHDOB-KAGYGMCKSA-N 2 1 380.532 3.889 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256546466 1043505850 /nfs/dbraw/zinc/50/58/50/1043505850.db2.gz LQQGOYSACFBATK-IFMALSPDSA-N 2 1 398.595 3.652 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256546466 1043505864 /nfs/dbraw/zinc/50/58/64/1043505864.db2.gz LQQGOYSACFBATK-IFMALSPDSA-N 2 1 398.595 3.652 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)CC[C@H]21 ZINC001256547190 1043506817 /nfs/dbraw/zinc/50/68/17/1043506817.db2.gz RDGWUHOZBZXKOT-JMJGKCIBSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)CC[C@H]21 ZINC001256547190 1043506833 /nfs/dbraw/zinc/50/68/33/1043506833.db2.gz RDGWUHOZBZXKOT-JMJGKCIBSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC[C@H]21 ZINC001256547190 1043506853 /nfs/dbraw/zinc/50/68/53/1043506853.db2.gz RDGWUHOZBZXKOT-JMJGKCIBSA-N 2 1 383.580 3.618 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC[C@H]21 ZINC001256547190 1043506869 /nfs/dbraw/zinc/50/68/69/1043506869.db2.gz RDGWUHOZBZXKOT-JMJGKCIBSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256549980 1043512276 /nfs/dbraw/zinc/51/22/76/1043512276.db2.gz KLHUEISPZOMZDB-WMZHIEFXSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256549980 1043512281 /nfs/dbraw/zinc/51/22/81/1043512281.db2.gz KLHUEISPZOMZDB-WMZHIEFXSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)C1=O ZINC001256552377 1043515778 /nfs/dbraw/zinc/51/57/78/1043515778.db2.gz AWGDSVZZKPGRBX-IFMALSPDSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)C1=O ZINC001256552377 1043515784 /nfs/dbraw/zinc/51/57/84/1043515784.db2.gz AWGDSVZZKPGRBX-IFMALSPDSA-N 2 1 383.580 3.762 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256551839 1043516560 /nfs/dbraw/zinc/51/65/60/1043516560.db2.gz VVHAOFHJXQDHSZ-ZJSXRUAMSA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256551839 1043516567 /nfs/dbraw/zinc/51/65/67/1043516567.db2.gz VVHAOFHJXQDHSZ-ZJSXRUAMSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@H]1C[C@@H](N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256553505 1043520697 /nfs/dbraw/zinc/52/06/97/1043520697.db2.gz HWCYAUPEVWHFRU-URXFXBBRSA-N 2 1 375.560 3.857 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256558070 1043529778 /nfs/dbraw/zinc/52/97/78/1043529778.db2.gz PXNMBMODQWKHJO-FPOVZHCZSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256558070 1043529784 /nfs/dbraw/zinc/52/97/84/1043529784.db2.gz PXNMBMODQWKHJO-FPOVZHCZSA-N 2 1 380.536 3.681 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256558956 1043533069 /nfs/dbraw/zinc/53/30/69/1043533069.db2.gz WSCPGRNTCCLOAX-NFBKMPQASA-N 2 1 395.591 3.764 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256558956 1043533077 /nfs/dbraw/zinc/53/30/77/1043533077.db2.gz WSCPGRNTCCLOAX-NFBKMPQASA-N 2 1 395.591 3.764 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256558960 1043533323 /nfs/dbraw/zinc/53/33/23/1043533323.db2.gz WSCPGRNTCCLOAX-REWPJTCUSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC3(CCN(CC4CC4)C3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256558960 1043533325 /nfs/dbraw/zinc/53/33/25/1043533325.db2.gz WSCPGRNTCCLOAX-REWPJTCUSA-N 2 1 395.591 3.764 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](C4CCN(Cc5ccccc5)CC4)C[C@H]3C2)c1 ZINC001256606239 1043570397 /nfs/dbraw/zinc/57/03/97/1043570397.db2.gz SISFXFWWJQIGTP-NHCUHLMSSA-N 2 1 381.589 3.776 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256613232 1043576769 /nfs/dbraw/zinc/57/67/69/1043576769.db2.gz ZLPVMDMRCPHCKB-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256613232 1043576780 /nfs/dbraw/zinc/57/67/80/1043576780.db2.gz ZLPVMDMRCPHCKB-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256613232 1043576792 /nfs/dbraw/zinc/57/67/92/1043576792.db2.gz ZLPVMDMRCPHCKB-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)c1ccc(F)cc1 ZINC001256612979 1043577301 /nfs/dbraw/zinc/57/73/01/1043577301.db2.gz UXXYGRALNLSKBQ-JOCHJYFZSA-N 2 1 395.522 3.685 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1)c1ccc(F)cc1 ZINC001256612979 1043577307 /nfs/dbraw/zinc/57/73/07/1043577307.db2.gz UXXYGRALNLSKBQ-JOCHJYFZSA-N 2 1 395.522 3.685 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001256639235 1043586913 /nfs/dbraw/zinc/58/69/13/1043586913.db2.gz PLYFIXMWTZZMKR-FGZHOGPDSA-N 2 1 383.511 3.843 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001256639235 1043586916 /nfs/dbraw/zinc/58/69/16/1043586916.db2.gz PLYFIXMWTZZMKR-FGZHOGPDSA-N 2 1 383.511 3.843 20 0 GHADMP Clc1ccc(O[C@H]2CCC[N@H+](C3CCC([NH+]4CCOCC4)CC3)C2)cc1 ZINC001256695631 1043627103 /nfs/dbraw/zinc/62/71/03/1043627103.db2.gz HOZGRKPHPIMNFA-GRERDSQWSA-N 2 1 378.944 3.827 20 0 GHADMP c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001256694672 1043627607 /nfs/dbraw/zinc/62/76/07/1043627607.db2.gz CISZGSSYZAFQCB-ZOOXZOTBSA-N 2 1 398.591 3.742 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001292262304 1043654378 /nfs/dbraw/zinc/65/43/78/1043654378.db2.gz VDYXCKBOSOHLNQ-PKTZIBPZSA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001292262304 1043654379 /nfs/dbraw/zinc/65/43/79/1043654379.db2.gz VDYXCKBOSOHLNQ-PKTZIBPZSA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001292262303 1043654410 /nfs/dbraw/zinc/65/44/10/1043654410.db2.gz VDYXCKBOSOHLNQ-GOTSBHOMSA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC001292262303 1043654431 /nfs/dbraw/zinc/65/44/31/1043654431.db2.gz VDYXCKBOSOHLNQ-GOTSBHOMSA-N 2 1 397.538 3.908 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808116 1043664053 /nfs/dbraw/zinc/66/40/53/1043664053.db2.gz DSMDISNRPOJEQJ-NEWJYFPISA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808116 1043664065 /nfs/dbraw/zinc/66/40/65/1043664065.db2.gz DSMDISNRPOJEQJ-NEWJYFPISA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808116 1043664073 /nfs/dbraw/zinc/66/40/73/1043664073.db2.gz DSMDISNRPOJEQJ-NEWJYFPISA-N 2 1 384.564 3.587 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856382 1043704515 /nfs/dbraw/zinc/70/45/15/1043704515.db2.gz HHZHEOYRKRLXRB-FQEVSTJZSA-N 2 1 388.556 3.628 20 0 GHADMP c1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)c1 ZINC001256860257 1043706775 /nfs/dbraw/zinc/70/67/75/1043706775.db2.gz YDMZYBSUZVEXBJ-QPPBQGQZSA-N 2 1 392.547 3.764 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@@H](c2ccccc2)C1 ZINC001256865312 1043710509 /nfs/dbraw/zinc/71/05/09/1043710509.db2.gz XNHLTZWTFXLVPP-DENIHFKCSA-N 2 1 379.504 3.677 20 0 GHADMP CCC1CCC([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CC1 ZINC001256872478 1043712771 /nfs/dbraw/zinc/71/27/71/1043712771.db2.gz LLRZFUNIGLXZRZ-UNWXKSQRSA-N 2 1 378.601 3.936 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)C2)C1 ZINC001256894196 1043726311 /nfs/dbraw/zinc/72/63/11/1043726311.db2.gz FNBHGFCCZADMOO-LYGNXSNRSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC([NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)C2)C1 ZINC001256894196 1043726328 /nfs/dbraw/zinc/72/63/28/1043726328.db2.gz FNBHGFCCZADMOO-LYGNXSNRSA-N 2 1 377.573 3.773 20 0 GHADMP COc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898992 1043729795 /nfs/dbraw/zinc/72/97/95/1043729795.db2.gz QOECKYKFEXFLFA-QGZVFWFLSA-N 2 1 381.358 3.997 20 0 GHADMP COc1ccc(Br)cc1CC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256898992 1043729812 /nfs/dbraw/zinc/72/98/12/1043729812.db2.gz QOECKYKFEXFLFA-QGZVFWFLSA-N 2 1 381.358 3.997 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900906 1043730613 /nfs/dbraw/zinc/73/06/13/1043730613.db2.gz CFGRVVFRJCZLOZ-WMZHIEFXSA-N 2 1 383.536 3.654 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900906 1043730617 /nfs/dbraw/zinc/73/06/17/1043730617.db2.gz CFGRVVFRJCZLOZ-WMZHIEFXSA-N 2 1 383.536 3.654 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](c4ccccc4)C3)C[C@@H]2C1 ZINC001256950611 1043770158 /nfs/dbraw/zinc/77/01/58/1043770158.db2.gz HZVUUXJTTUXQAA-WOZUAGRISA-N 2 1 385.552 3.621 20 0 GHADMP CCCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292563473 1043788815 /nfs/dbraw/zinc/78/88/15/1043788815.db2.gz SEXIUSKWWSEAQA-GMAHTHKFSA-N 2 1 394.563 3.657 20 0 GHADMP CCCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292563473 1043788829 /nfs/dbraw/zinc/78/88/29/1043788829.db2.gz SEXIUSKWWSEAQA-GMAHTHKFSA-N 2 1 394.563 3.657 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001257645239 1044096541 /nfs/dbraw/zinc/09/65/41/1044096541.db2.gz WFSJPUSRBLZFCF-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP CCOc1ccc(Cl)cc1C[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001279049425 1044203161 /nfs/dbraw/zinc/20/31/61/1044203161.db2.gz ISLSVRIGMSSFMJ-RTWAWAEBSA-N 2 1 379.976 3.825 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001258032428 1044358082 /nfs/dbraw/zinc/35/80/82/1044358082.db2.gz XUBMOQJNVKJUKZ-ACBHZAAOSA-N 2 1 380.573 3.510 20 0 GHADMP CCOC(=O)CCC[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001258121029 1044408401 /nfs/dbraw/zinc/40/84/01/1044408401.db2.gz HMPIXZMZWMAUDH-GOSISDBHSA-N 2 1 394.581 3.537 20 0 GHADMP COC(=O)CC[N@H+](Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146480 1044434901 /nfs/dbraw/zinc/43/49/01/1044434901.db2.gz ZLEGCNLMNZHELK-UHFFFAOYSA-N 2 1 380.532 3.759 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146480 1044434921 /nfs/dbraw/zinc/43/49/21/1044434921.db2.gz ZLEGCNLMNZHELK-UHFFFAOYSA-N 2 1 380.532 3.759 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C[C@@H](C)C1 ZINC001258173736 1044454326 /nfs/dbraw/zinc/45/43/26/1044454326.db2.gz HWTACXXZNKWQMY-RMNGQBEXSA-N 2 1 397.607 3.868 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H](C)CCSC)CC2 ZINC001258218072 1044476232 /nfs/dbraw/zinc/47/62/32/1044476232.db2.gz URYXMEJBEZXLMX-AZUAARDMSA-N 2 1 377.598 3.526 20 0 GHADMP CSC(C)(C)C[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001258337426 1044512521 /nfs/dbraw/zinc/51/25/21/1044512521.db2.gz IZQWVNKRENWOSF-NRDMVMEKSA-N 2 1 390.641 3.978 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001258337426 1044512537 /nfs/dbraw/zinc/51/25/37/1044512537.db2.gz IZQWVNKRENWOSF-NRDMVMEKSA-N 2 1 390.641 3.978 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001258337426 1044512554 /nfs/dbraw/zinc/51/25/54/1044512554.db2.gz IZQWVNKRENWOSF-NRDMVMEKSA-N 2 1 390.641 3.978 20 0 GHADMP Clc1ccccc1N1CCC([N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)CC1 ZINC001258542278 1044618193 /nfs/dbraw/zinc/61/81/93/1044618193.db2.gz KITFQHXLUKUJGP-BGYRXZFFSA-N 2 1 396.966 3.768 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@@H]1CCC(C)(C)C1)CC2 ZINC001258602985 1044666088 /nfs/dbraw/zinc/66/60/88/1044666088.db2.gz FLTDFTUDUWDBFD-NHCUHLMSSA-N 2 1 378.601 3.795 20 0 GHADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258838251 1044782238 /nfs/dbraw/zinc/78/22/38/1044782238.db2.gz RVSFFCHMSOPIFL-NJYVYQBISA-N 2 1 387.568 3.539 20 0 GHADMP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258838251 1044782243 /nfs/dbraw/zinc/78/22/43/1044782243.db2.gz RVSFFCHMSOPIFL-NJYVYQBISA-N 2 1 387.568 3.539 20 0 GHADMP CC[C@H](Cc1ccccc1)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001258840051 1044782741 /nfs/dbraw/zinc/78/27/41/1044782741.db2.gz NTPTWEKYBBILKG-HXUWFJFHSA-N 2 1 377.573 3.834 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC001294967576 1044857506 /nfs/dbraw/zinc/85/75/06/1044857506.db2.gz UGLQEJAQGRXQBC-WRHDZBKDSA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001294967576 1044857531 /nfs/dbraw/zinc/85/75/31/1044857531.db2.gz UGLQEJAQGRXQBC-WRHDZBKDSA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001294967576 1044857552 /nfs/dbraw/zinc/85/75/52/1044857552.db2.gz UGLQEJAQGRXQBC-WRHDZBKDSA-N 2 1 383.580 3.522 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001258911033 1044865523 /nfs/dbraw/zinc/86/55/23/1044865523.db2.gz ZGDKYNSKNNRUJK-SIKLNZKXSA-N 2 1 397.604 3.599 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001295109681 1044918936 /nfs/dbraw/zinc/91/89/36/1044918936.db2.gz YPSMXUWNCAZRRA-QHCPKHFHSA-N 2 1 397.607 3.712 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001295109680 1044919119 /nfs/dbraw/zinc/91/91/19/1044919119.db2.gz YPSMXUWNCAZRRA-HSZRJFAPSA-N 2 1 397.607 3.712 20 0 GHADMP CCN(C(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296065819 1045241347 /nfs/dbraw/zinc/24/13/47/1045241347.db2.gz OOHCQGZJFJQIJY-GBXCKJPGSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065819 1045241356 /nfs/dbraw/zinc/24/13/56/1045241356.db2.gz OOHCQGZJFJQIJY-GBXCKJPGSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065819 1045241361 /nfs/dbraw/zinc/24/13/61/1045241361.db2.gz OOHCQGZJFJQIJY-GBXCKJPGSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065819 1045241369 /nfs/dbraw/zinc/24/13/69/1045241369.db2.gz OOHCQGZJFJQIJY-GBXCKJPGSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296065820 1045241950 /nfs/dbraw/zinc/24/19/50/1045241950.db2.gz OOHCQGZJFJQIJY-HYBUGGRVSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065820 1045241956 /nfs/dbraw/zinc/24/19/56/1045241956.db2.gz OOHCQGZJFJQIJY-HYBUGGRVSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065820 1045241964 /nfs/dbraw/zinc/24/19/64/1045241964.db2.gz OOHCQGZJFJQIJY-HYBUGGRVSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065820 1045241968 /nfs/dbraw/zinc/24/19/68/1045241968.db2.gz OOHCQGZJFJQIJY-HYBUGGRVSA-N 2 1 391.559 3.556 20 0 GHADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261221363 1045927835 /nfs/dbraw/zinc/92/78/35/1045927835.db2.gz SMVGUTHRRPKPDH-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP COc1cc2[nH+]ccc(N3CCC[N@@H+]4CCC[C@H]4C3)c2cc1Br ZINC001261439186 1045999853 /nfs/dbraw/zinc/99/98/53/1045999853.db2.gz DALDVEOXBFLUIS-ZDUSSCGKSA-N 2 1 376.298 3.680 20 0 GHADMP COc1cc2[nH+]ccc(N3CCC[N@H+]4CCC[C@H]4C3)c2cc1Br ZINC001261439186 1045999860 /nfs/dbraw/zinc/99/98/60/1045999860.db2.gz DALDVEOXBFLUIS-ZDUSSCGKSA-N 2 1 376.298 3.680 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C[C@H]2C1 ZINC001262378681 1046254528 /nfs/dbraw/zinc/25/45/28/1046254528.db2.gz IKQHUFDJZYLFCR-RBSFLKMASA-N 2 1 380.558 3.652 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606660118 1047327268 /nfs/dbraw/zinc/32/72/68/1047327268.db2.gz QOHXSSVNVVRZLW-XZOQPEGZSA-N 2 1 398.595 3.701 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389219422 1047417337 /nfs/dbraw/zinc/41/73/37/1047417337.db2.gz CTDTWXJQSUHBCQ-NZQKXSOJSA-N 2 1 376.585 3.835 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4csc(Cl)c4)C[C@H]3CC2)n(C)n1 ZINC001279117195 1047724773 /nfs/dbraw/zinc/72/47/73/1047724773.db2.gz YLTZKPRAOCHQAR-CALCHBBNSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4csc(Cl)c4)C[C@H]3CC2)n(C)n1 ZINC001279117195 1047724778 /nfs/dbraw/zinc/72/47/78/1047724778.db2.gz YLTZKPRAOCHQAR-CALCHBBNSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4csc(Cl)c4)C[C@H]3CC2)n(C)n1 ZINC001279117195 1047724780 /nfs/dbraw/zinc/72/47/80/1047724780.db2.gz YLTZKPRAOCHQAR-CALCHBBNSA-N 2 1 378.973 3.787 20 0 GHADMP COC1CCC(C[N@@H+]2C[C@@H]3CC[NH+](Cc4scnc4C)CC[C@@H]3C2)CC1 ZINC001279265068 1047751665 /nfs/dbraw/zinc/75/16/65/1047751665.db2.gz DBHXINWYWXPENJ-REPIYIIUSA-N 2 1 377.598 3.801 20 0 GHADMP COC1CCC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)CC1 ZINC001279265068 1047751668 /nfs/dbraw/zinc/75/16/68/1047751668.db2.gz DBHXINWYWXPENJ-REPIYIIUSA-N 2 1 377.598 3.801 20 0 GHADMP COC1CCC(C[NH+]2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)CC1 ZINC001279265068 1047751670 /nfs/dbraw/zinc/75/16/70/1047751670.db2.gz DBHXINWYWXPENJ-REPIYIIUSA-N 2 1 377.598 3.801 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCCN(CCC[NH+]1CCCCC1)C2 ZINC001279275718 1047753369 /nfs/dbraw/zinc/75/33/69/1047753369.db2.gz ZOYBJVOPOGRLRS-NRFANRHFSA-N 2 1 376.614 3.615 20 0 GHADMP COc1cccc(Cl)c1C[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001279308482 1047762149 /nfs/dbraw/zinc/76/21/49/1047762149.db2.gz JULGCGPRXDOMPZ-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1cccc(Cl)c1C[NH+]1CCC2(CCCN(CC[NH+](C)C)C2)CC1 ZINC001279308482 1047762152 /nfs/dbraw/zinc/76/21/52/1047762152.db2.gz JULGCGPRXDOMPZ-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1cc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1 ZINC001279340254 1047773412 /nfs/dbraw/zinc/77/34/12/1047773412.db2.gz CVNYTVFDLAOFDN-IYBDPMFKSA-N 2 1 398.378 3.534 20 0 GHADMP Cc1cc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1 ZINC001279340254 1047773417 /nfs/dbraw/zinc/77/34/17/1047773417.db2.gz CVNYTVFDLAOFDN-IYBDPMFKSA-N 2 1 398.378 3.534 20 0 GHADMP Cc1cc(Cl)c(C[N@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1 ZINC001279340254 1047773423 /nfs/dbraw/zinc/77/34/23/1047773423.db2.gz CVNYTVFDLAOFDN-IYBDPMFKSA-N 2 1 398.378 3.534 20 0 GHADMP Cc1cc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)ccc1Br ZINC001279391722 1047791333 /nfs/dbraw/zinc/79/13/33/1047791333.db2.gz DFLJZRZMIZYHNY-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ccc1Br ZINC001279391722 1047791340 /nfs/dbraw/zinc/79/13/40/1047791340.db2.gz DFLJZRZMIZYHNY-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)ccc1Br ZINC001279391722 1047791344 /nfs/dbraw/zinc/79/13/44/1047791344.db2.gz DFLJZRZMIZYHNY-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1c(C)nn(C)c1Cl)CC2 ZINC001279412040 1047797537 /nfs/dbraw/zinc/79/75/37/1047797537.db2.gz FAQWIXDBIJZWHK-UHFFFAOYSA-N 2 1 393.988 3.635 20 0 GHADMP Brc1csc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001279418001 1047798354 /nfs/dbraw/zinc/79/83/54/1047798354.db2.gz VICJGSYMHUGQFM-OKILXGFUSA-N 2 1 384.387 3.992 20 0 GHADMP Brc1csc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001279418001 1047798356 /nfs/dbraw/zinc/79/83/56/1047798356.db2.gz VICJGSYMHUGQFM-OKILXGFUSA-N 2 1 384.387 3.992 20 0 GHADMP Brc1csc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001279418001 1047798359 /nfs/dbraw/zinc/79/83/59/1047798359.db2.gz VICJGSYMHUGQFM-OKILXGFUSA-N 2 1 384.387 3.992 20 0 GHADMP Brc1csc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)n1 ZINC001279418001 1047798363 /nfs/dbraw/zinc/79/83/63/1047798363.db2.gz VICJGSYMHUGQFM-OKILXGFUSA-N 2 1 384.387 3.992 20 0 GHADMP CS[C@@H](C)CC[N@H+]1Cc2ccccc2C2(CCN(CC[NH+](C)C)CC2)C1 ZINC001279485842 1047822366 /nfs/dbraw/zinc/82/23/66/1047822366.db2.gz JUJWXNVIGQOIII-IBGZPJMESA-N 2 1 375.626 3.539 20 0 GHADMP CS[C@@H](C)CC[N@@H+]1Cc2ccccc2C2(CC[NH+](CCN(C)C)CC2)C1 ZINC001279485842 1047822370 /nfs/dbraw/zinc/82/23/70/1047822370.db2.gz JUJWXNVIGQOIII-IBGZPJMESA-N 2 1 375.626 3.539 20 0 GHADMP CS[C@@H](C)CC[N@H+]1Cc2ccccc2C2(CC[NH+](CCN(C)C)CC2)C1 ZINC001279485842 1047822381 /nfs/dbraw/zinc/82/23/81/1047822381.db2.gz JUJWXNVIGQOIII-IBGZPJMESA-N 2 1 375.626 3.539 20 0 GHADMP Nc1ncc(Br)cc1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001279715107 1047931987 /nfs/dbraw/zinc/93/19/87/1047931987.db2.gz YRBYFRNVYXNHHI-RBUKOAKNSA-N 2 1 393.373 3.894 20 0 GHADMP Cc1c(Br)ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1C ZINC001279712840 1047932035 /nfs/dbraw/zinc/93/20/35/1047932035.db2.gz JIJYJUAFCQJOAD-UHFFFAOYSA-N 2 1 394.401 3.525 20 0 GHADMP Cn1c(Br)ccc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279880714 1047979113 /nfs/dbraw/zinc/97/91/13/1047979113.db2.gz FGHIYXPWBXRHLB-IYBDPMFKSA-N 2 1 380.374 3.874 20 0 GHADMP Cn1c(Br)ccc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279880714 1047979117 /nfs/dbraw/zinc/97/91/17/1047979117.db2.gz FGHIYXPWBXRHLB-IYBDPMFKSA-N 2 1 380.374 3.874 20 0 GHADMP Cn1c(Br)ccc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279880714 1047979118 /nfs/dbraw/zinc/97/91/18/1047979118.db2.gz FGHIYXPWBXRHLB-IYBDPMFKSA-N 2 1 380.374 3.874 20 0 GHADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)cc1Cl ZINC001280115970 1048089285 /nfs/dbraw/zinc/08/92/85/1048089285.db2.gz RHVHFDJKCNVCPO-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)cc1Cl ZINC001280115970 1048089299 /nfs/dbraw/zinc/08/92/99/1048089299.db2.gz RHVHFDJKCNVCPO-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(F)cc1Cl ZINC001280115970 1048089310 /nfs/dbraw/zinc/08/93/10/1048089310.db2.gz RHVHFDJKCNVCPO-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP CC(C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+](C)C1CCCCC1 ZINC001287208140 1048654591 /nfs/dbraw/zinc/65/45/91/1048654591.db2.gz TWDFNQSGDJXRTN-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC(C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001287208140 1048654598 /nfs/dbraw/zinc/65/45/98/1048654598.db2.gz TWDFNQSGDJXRTN-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC(C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001287208140 1048654605 /nfs/dbraw/zinc/65/46/05/1048654605.db2.gz TWDFNQSGDJXRTN-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC001307432626 1049269684 /nfs/dbraw/zinc/26/96/84/1049269684.db2.gz VVHDXEVEHCOLRR-ZFGGDYGUSA-N 2 1 385.596 3.746 20 0 GHADMP CCc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001307659669 1049484013 /nfs/dbraw/zinc/48/40/13/1049484013.db2.gz VFYJQAVKHLNYMJ-HROJSSOGSA-N 2 1 379.548 3.934 20 0 GHADMP CCc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001307659669 1049484021 /nfs/dbraw/zinc/48/40/21/1049484021.db2.gz VFYJQAVKHLNYMJ-HROJSSOGSA-N 2 1 379.548 3.934 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCc2ccc(F)cc21 ZINC001307762687 1049576351 /nfs/dbraw/zinc/57/63/51/1049576351.db2.gz ZJRYCMXAQKODPD-DEOSSOPVSA-N 2 1 381.539 3.953 20 0 GHADMP O[C@]1(C[NH+]2CCC(CCc3ccccc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001308081757 1049827493 /nfs/dbraw/zinc/82/74/93/1049827493.db2.gz LIKHIIPXORQRDB-VWLOTQADSA-N 2 1 378.560 3.968 20 0 GHADMP O[C@]1(C[NH+]2CCC(CCc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308081757 1049827503 /nfs/dbraw/zinc/82/75/03/1049827503.db2.gz LIKHIIPXORQRDB-VWLOTQADSA-N 2 1 378.560 3.968 20 0 GHADMP Cn1ccc(C2CC[NH+](CCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)n1 ZINC001308090417 1049837979 /nfs/dbraw/zinc/83/79/79/1049837979.db2.gz WLKXKPIKLHIRAQ-UHFFFAOYSA-N 2 1 380.580 3.944 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001308129096 1049872934 /nfs/dbraw/zinc/87/29/34/1049872934.db2.gz NUHOLMMLCIRZOE-LJQANCHMSA-N 2 1 392.341 3.718 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001308129096 1049872939 /nfs/dbraw/zinc/87/29/39/1049872939.db2.gz NUHOLMMLCIRZOE-LJQANCHMSA-N 2 1 392.341 3.718 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC001308197761 1049909003 /nfs/dbraw/zinc/90/90/03/1049909003.db2.gz MYYCOFCNIKQTNF-ZDUSSCGKSA-N 2 1 388.313 3.770 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2c(F)cccc2Cl)[C@@H](c2ccccc2)C1 ZINC001308198439 1049909965 /nfs/dbraw/zinc/90/99/65/1049909965.db2.gz XRIKAYREOPSZDC-OAQYLSRUSA-N 2 1 375.919 3.948 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)cc1I ZINC001308205009 1049911800 /nfs/dbraw/zinc/91/18/00/1049911800.db2.gz LVKZBVHRGHLAHT-DLBZAZTESA-N 2 1 384.305 3.624 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)cc1I ZINC001308205009 1049911802 /nfs/dbraw/zinc/91/18/02/1049911802.db2.gz LVKZBVHRGHLAHT-DLBZAZTESA-N 2 1 384.305 3.624 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC001308220264 1049917475 /nfs/dbraw/zinc/91/74/75/1049917475.db2.gz NUUWAVMOQXBVLA-UHFFFAOYSA-N 2 1 379.439 3.912 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C)nc4c3CCCC4)C2)ccn1 ZINC001308875715 1050134131 /nfs/dbraw/zinc/13/41/31/1050134131.db2.gz GUYRRINUHJPCSQ-JOCHJYFZSA-N 2 1 394.563 3.769 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(C)nc4c3CCCC4)C2)ccn1 ZINC001308875715 1050134137 /nfs/dbraw/zinc/13/41/37/1050134137.db2.gz GUYRRINUHJPCSQ-JOCHJYFZSA-N 2 1 394.563 3.769 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(C)nc4c3CCCC4)C2)ccn1 ZINC001308875715 1050134141 /nfs/dbraw/zinc/13/41/41/1050134141.db2.gz GUYRRINUHJPCSQ-JOCHJYFZSA-N 2 1 394.563 3.769 20 0 GHADMP c1ccc(C[N@@H+]2CCCCC[C@H](NC3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC001308896060 1050145423 /nfs/dbraw/zinc/14/54/23/1050145423.db2.gz IKEDZPCAOYUAEW-BJKOFHAPSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001328143639 1050411518 /nfs/dbraw/zinc/41/15/18/1050411518.db2.gz UEOJOWSWGQDZQJ-GOSISDBHSA-N 2 1 377.532 3.637 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)c2)cc1 ZINC001329432601 1050805730 /nfs/dbraw/zinc/80/57/30/1050805730.db2.gz GSMFDHGFBCXYNF-UHFFFAOYSA-N 2 1 393.531 3.913 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(C)[nH+]1 ZINC001310422785 1051347081 /nfs/dbraw/zinc/34/70/81/1051347081.db2.gz YADNBJAYRSQPRP-BAGYTPMASA-N 2 1 378.520 3.543 20 0 GHADMP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(C)[nH+]1 ZINC001310422785 1051347088 /nfs/dbraw/zinc/34/70/88/1051347088.db2.gz YADNBJAYRSQPRP-BAGYTPMASA-N 2 1 378.520 3.543 20 0 GHADMP CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC001311078197 1051832538 /nfs/dbraw/zinc/83/25/38/1051832538.db2.gz DGNZGJKJTLZIJL-TZIWHRDSSA-N 2 1 393.535 3.666 20 0 GHADMP CN(C)c1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC001311078197 1051832551 /nfs/dbraw/zinc/83/25/51/1051832551.db2.gz DGNZGJKJTLZIJL-TZIWHRDSSA-N 2 1 393.535 3.666 20 0 GHADMP C[N@@H+](CCCNC(=O)N[C@H](Cn1ccnc1)c1ccccc1)C1CCCCC1 ZINC001311403105 1052106589 /nfs/dbraw/zinc/10/65/89/1052106589.db2.gz YMPDOZMLMDAEOD-OAQYLSRUSA-N 2 1 383.540 3.578 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C)C(C)C ZINC001311421128 1052125644 /nfs/dbraw/zinc/12/56/44/1052125644.db2.gz SDGUAYGQMXHBKS-PCCBWWKXSA-N 2 1 388.600 3.798 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001311430531 1052135318 /nfs/dbraw/zinc/13/53/18/1052135318.db2.gz NHPQRPXRGSBJFV-FPOVZHCZSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001311430531 1052135341 /nfs/dbraw/zinc/13/53/41/1052135341.db2.gz NHPQRPXRGSBJFV-FPOVZHCZSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001311430531 1052135351 /nfs/dbraw/zinc/13/53/51/1052135351.db2.gz NHPQRPXRGSBJFV-FPOVZHCZSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCC[NH+]1CCCCC1 ZINC001311551130 1052239422 /nfs/dbraw/zinc/23/94/22/1052239422.db2.gz OBICSKQUMUKPMY-PCCBWWKXSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001311688349 1052331033 /nfs/dbraw/zinc/33/10/33/1052331033.db2.gz KBSPSRVDNBSNBG-KCZVDYSFSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001311795985 1052402991 /nfs/dbraw/zinc/40/29/91/1052402991.db2.gz NZSOJMRMTXDZNG-WMZHIEFXSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311795985 1052402997 /nfs/dbraw/zinc/40/29/97/1052402997.db2.gz NZSOJMRMTXDZNG-WMZHIEFXSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001311795985 1052403004 /nfs/dbraw/zinc/40/30/04/1052403004.db2.gz NZSOJMRMTXDZNG-WMZHIEFXSA-N 2 1 398.595 3.530 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001312024534 1052535271 /nfs/dbraw/zinc/53/52/71/1052535271.db2.gz LJETXAOTWZFQAT-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001312118448 1052582443 /nfs/dbraw/zinc/58/24/43/1052582443.db2.gz GRYUBBRYFSGCRE-BDTNDASRSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001312140088 1052593514 /nfs/dbraw/zinc/59/35/14/1052593514.db2.gz CHAGTDKCTTYEQT-ZRCGQRJVSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001312140088 1052593522 /nfs/dbraw/zinc/59/35/22/1052593522.db2.gz CHAGTDKCTTYEQT-ZRCGQRJVSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC001312140088 1052593532 /nfs/dbraw/zinc/59/35/32/1052593532.db2.gz CHAGTDKCTTYEQT-ZRCGQRJVSA-N 2 1 398.595 3.555 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC001312181061 1052620690 /nfs/dbraw/zinc/62/06/90/1052620690.db2.gz GRZVHOOWMQJRGC-UHFFFAOYSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC001312481240 1052760660 /nfs/dbraw/zinc/76/06/60/1052760660.db2.gz VWQLZVDAVQALIR-SCLBCKFNSA-N 2 1 399.366 3.546 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[NH+](C)C1CC1 ZINC001312829368 1052886377 /nfs/dbraw/zinc/88/63/77/1052886377.db2.gz ZXQYNSKVCYNZRY-XUVXKRRUSA-N 2 1 386.584 3.554 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC001313003775 1052931198 /nfs/dbraw/zinc/93/11/98/1052931198.db2.gz TUNHYOIDFOEYOW-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001313003775 1052931205 /nfs/dbraw/zinc/93/12/05/1052931205.db2.gz TUNHYOIDFOEYOW-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001313003775 1052931206 /nfs/dbraw/zinc/93/12/06/1052931206.db2.gz TUNHYOIDFOEYOW-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC001313416025 1053047844 /nfs/dbraw/zinc/04/78/44/1053047844.db2.gz PUJFOFPYNYUQBC-FKBYEOEOSA-N 2 1 386.584 3.585 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC001318083570 1054394055 /nfs/dbraw/zinc/39/40/55/1054394055.db2.gz CCUKTOLKVYKJDE-RTWAWAEBSA-N 2 1 387.568 3.603 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC001318369537 1054592463 /nfs/dbraw/zinc/59/24/63/1054592463.db2.gz RSKYFBMIQPXSBO-HSZRJFAPSA-N 2 1 385.596 3.978 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001319175085 1055078948 /nfs/dbraw/zinc/07/89/48/1055078948.db2.gz DSAWRNPHEHMSJZ-YADHBBJMSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001319175085 1055078962 /nfs/dbraw/zinc/07/89/62/1055078962.db2.gz DSAWRNPHEHMSJZ-YADHBBJMSA-N 2 1 398.551 3.584 20 0 GHADMP Cc1c(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001320025490 1055605221 /nfs/dbraw/zinc/60/52/21/1055605221.db2.gz ITMRBNDMXLCXNW-FXAWDEMLSA-N 2 1 376.504 3.673 20 0 GHADMP Cc1c(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cnn1-c1cc[nH+]cc1 ZINC001320197401 1055702450 /nfs/dbraw/zinc/70/24/50/1055702450.db2.gz BKJXCHMNHXKHOD-UHFFFAOYSA-N 2 1 386.459 3.889 20 0 GHADMP Cc1c(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc2c[nH+]cn21 ZINC001320843877 1055984786 /nfs/dbraw/zinc/98/47/86/1055984786.db2.gz XSFLHMHGVBWFAP-UHFFFAOYSA-N 2 1 388.515 3.771 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc(Cl)cc1 ZINC001322056235 1056495025 /nfs/dbraw/zinc/49/50/25/1056495025.db2.gz ABIRXGFTIHZAPE-FQEVSTJZSA-N 2 1 397.910 3.734 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481310 1057117804 /nfs/dbraw/zinc/11/78/04/1057117804.db2.gz APHCQOIRAYUXCJ-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481310 1057117810 /nfs/dbraw/zinc/11/78/10/1057117810.db2.gz APHCQOIRAYUXCJ-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481310 1057117814 /nfs/dbraw/zinc/11/78/14/1057117814.db2.gz APHCQOIRAYUXCJ-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2cc(-c3ccc(Br)cc3)cn2)C1 ZINC000848481310 1057117818 /nfs/dbraw/zinc/11/78/18/1057117818.db2.gz APHCQOIRAYUXCJ-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP CCC(CC)Oc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001355684341 1057250080 /nfs/dbraw/zinc/25/00/80/1057250080.db2.gz BORFBTFYAPYTBZ-UHFFFAOYSA-N 2 1 382.508 3.653 20 0 GHADMP Cc1c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc2c[nH+]cn21 ZINC001325150053 1057281319 /nfs/dbraw/zinc/28/13/19/1057281319.db2.gz IOFSCGLPHNOSME-DEOSSOPVSA-N 2 1 388.515 3.771 20 0 GHADMP Cc1c(NCC(C)(C)C)cccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001442033349 1058905992 /nfs/dbraw/zinc/90/59/92/1058905992.db2.gz ORVYPHUUKWSFDX-UHFFFAOYSA-N 2 1 395.551 3.852 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001442662707 1058990594 /nfs/dbraw/zinc/99/05/94/1058990594.db2.gz KTFVYQALTSGFDR-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001442662707 1058990596 /nfs/dbraw/zinc/99/05/96/1058990596.db2.gz KTFVYQALTSGFDR-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001445091735 1059460046 /nfs/dbraw/zinc/46/00/46/1059460046.db2.gz QLEHZAORKIQSOH-LADGPHEKSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001445091735 1059460059 /nfs/dbraw/zinc/46/00/59/1059460059.db2.gz QLEHZAORKIQSOH-LADGPHEKSA-N 2 1 383.580 3.623 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001445091735 1059460075 /nfs/dbraw/zinc/46/00/75/1059460075.db2.gz QLEHZAORKIQSOH-LADGPHEKSA-N 2 1 383.580 3.623 20 0 GHADMP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001447624618 1059989656 /nfs/dbraw/zinc/98/96/56/1059989656.db2.gz XGZRSQFYFLIGDB-UNMCSNQZSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@]1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001448717494 1060249564 /nfs/dbraw/zinc/24/95/64/1060249564.db2.gz HIZFIQBMIJLRDM-LADGPHEKSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@]1(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001448717494 1060249584 /nfs/dbraw/zinc/24/95/84/1060249584.db2.gz HIZFIQBMIJLRDM-LADGPHEKSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@]1(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001448717494 1060249595 /nfs/dbraw/zinc/24/95/95/1060249595.db2.gz HIZFIQBMIJLRDM-LADGPHEKSA-N 2 1 383.580 3.812 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001341113456 1060411775 /nfs/dbraw/zinc/41/17/75/1060411775.db2.gz VBJAOVTYBFWPCE-YADHBBJMSA-N 2 1 398.526 3.522 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001341113456 1060411785 /nfs/dbraw/zinc/41/17/85/1060411785.db2.gz VBJAOVTYBFWPCE-YADHBBJMSA-N 2 1 398.526 3.522 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001341113456 1060411790 /nfs/dbraw/zinc/41/17/90/1060411790.db2.gz VBJAOVTYBFWPCE-YADHBBJMSA-N 2 1 398.526 3.522 20 0 GHADMP C[C@H]([NH3+])c1nc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)cs1 ZINC001341320889 1060578688 /nfs/dbraw/zinc/57/86/88/1060578688.db2.gz QEIJDUREBCMFMY-ZDUSSCGKSA-N 2 1 376.551 3.603 20 0 GHADMP C[C@H]([NH3+])c1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)cs1 ZINC001341474481 1060708945 /nfs/dbraw/zinc/70/89/45/1060708945.db2.gz XRFVYUJFNYBZQY-ZANVPECISA-N 2 1 387.336 3.502 20 0 GHADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001454009328 1061571800 /nfs/dbraw/zinc/57/18/00/1061571800.db2.gz JYYSSOYJFHARDE-MSOLQXFVSA-N 2 1 385.474 3.689 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001454009328 1061571813 /nfs/dbraw/zinc/57/18/13/1061571813.db2.gz JYYSSOYJFHARDE-MSOLQXFVSA-N 2 1 385.474 3.689 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)c1 ZINC001454458273 1061787848 /nfs/dbraw/zinc/78/78/48/1061787848.db2.gz HAHNCORGTFXTLY-BJKOFHAPSA-N 2 1 391.559 3.831 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)c1 ZINC001454458273 1061787866 /nfs/dbraw/zinc/78/78/66/1061787866.db2.gz HAHNCORGTFXTLY-BJKOFHAPSA-N 2 1 391.559 3.831 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001454536228 1061820311 /nfs/dbraw/zinc/82/03/11/1061820311.db2.gz CMQCUXJAWGOTHR-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC001454536228 1061820326 /nfs/dbraw/zinc/82/03/26/1061820326.db2.gz CMQCUXJAWGOTHR-IBGZPJMESA-N 2 1 393.453 3.556 20 0 GHADMP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001454545323 1061829420 /nfs/dbraw/zinc/82/94/20/1061829420.db2.gz ZRJRFQLIFUGGRJ-BASYENTBSA-N 2 1 385.474 3.686 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001454848869 1061944927 /nfs/dbraw/zinc/94/49/27/1061944927.db2.gz LDYMWHIBALKSRN-DHIUTWEWSA-N 2 1 379.548 3.850 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001455200030 1062045976 /nfs/dbraw/zinc/04/59/76/1062045976.db2.gz SDBCTTRQMVCVKT-QHCPKHFHSA-N 2 1 385.596 3.666 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC001347157639 1062171120 /nfs/dbraw/zinc/17/11/20/1062171120.db2.gz PDMRUYZRHBAJBU-DHIUTWEWSA-N 2 1 393.531 3.649 20 0 GHADMP C[NH+]1CCC(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001347503923 1062444936 /nfs/dbraw/zinc/44/49/36/1062444936.db2.gz IJCLASSMVGPHKQ-NOTZXAQLSA-N 2 1 398.595 3.603 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001456974525 1062935662 /nfs/dbraw/zinc/93/56/62/1062935662.db2.gz CDYCIOSPMHRALU-BJKOFHAPSA-N 2 1 391.559 3.804 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[NH+](C)C)cc1 ZINC001457464150 1063197643 /nfs/dbraw/zinc/19/76/43/1063197643.db2.gz NNANUWOKMPEGAA-VABKMULXSA-N 2 1 379.548 3.661 20 0 GHADMP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC(C)C ZINC001459396576 1064085829 /nfs/dbraw/zinc/08/58/29/1064085829.db2.gz HVRJNVAIWHFBBO-HXUWFJFHSA-N 2 1 379.976 3.961 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC001459476332 1064108812 /nfs/dbraw/zinc/10/88/12/1064108812.db2.gz KBPXJFUEGUVOJE-VWLOTQADSA-N 2 1 395.591 3.852 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC001459476332 1064108816 /nfs/dbraw/zinc/10/88/16/1064108816.db2.gz KBPXJFUEGUVOJE-VWLOTQADSA-N 2 1 395.591 3.852 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC001459476332 1064108825 /nfs/dbraw/zinc/10/88/25/1064108825.db2.gz KBPXJFUEGUVOJE-VWLOTQADSA-N 2 1 395.591 3.852 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001459786165 1064216368 /nfs/dbraw/zinc/21/63/68/1064216368.db2.gz KEKPMXUYTMJJGF-SBHAEUEKSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001459786165 1064216373 /nfs/dbraw/zinc/21/63/73/1064216373.db2.gz KEKPMXUYTMJJGF-SBHAEUEKSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001459786165 1064216381 /nfs/dbraw/zinc/21/63/81/1064216381.db2.gz KEKPMXUYTMJJGF-SBHAEUEKSA-N 2 1 391.600 3.972 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1CCC(C)CC1)c1cccc(C(F)(F)F)c1 ZINC001464158114 1064873893 /nfs/dbraw/zinc/87/38/93/1064873893.db2.gz IEVKVQAKIOGNDX-IBGZPJMESA-N 2 1 399.501 3.936 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001464600399 1065105387 /nfs/dbraw/zinc/10/53/87/1065105387.db2.gz ZWHRKBNBKJZUIS-UHFFFAOYSA-N 2 1 393.575 3.853 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001465461181 1065634632 /nfs/dbraw/zinc/63/46/32/1065634632.db2.gz WNQQZCOWVPKEMZ-FYYLOGMGSA-N 2 1 383.580 3.937 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001300234030 1065784875 /nfs/dbraw/zinc/78/48/75/1065784875.db2.gz DWESBHFCAIJTEV-UHFFFAOYSA-N 2 1 397.588 3.988 20 0 GHADMP Cc1ccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1 ZINC001200330148 1065933421 /nfs/dbraw/zinc/93/34/21/1065933421.db2.gz RIZNLZAOJSRRQN-UHFFFAOYSA-N 2 1 375.929 3.604 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)cc1 ZINC001357351148 1067058186 /nfs/dbraw/zinc/05/81/86/1067058186.db2.gz OUDAYWXPWPKLMW-CMCXCUNFSA-N 2 1 385.552 3.547 20 0 GHADMP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCCCCC1 ZINC001467750145 1067450970 /nfs/dbraw/zinc/45/09/70/1067450970.db2.gz HHTQSSRANABIEA-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)c1ccc(Cl)cc1 ZINC001467903067 1067521750 /nfs/dbraw/zinc/52/17/50/1067521750.db2.gz KUIZCZIUOVNXJY-SLFFLAALSA-N 2 1 377.960 3.856 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1ccc(Cl)cc1 ZINC001467903067 1067521756 /nfs/dbraw/zinc/52/17/56/1067521756.db2.gz KUIZCZIUOVNXJY-SLFFLAALSA-N 2 1 377.960 3.856 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1ccc(Cl)cc1 ZINC001467903067 1067521761 /nfs/dbraw/zinc/52/17/61/1067521761.db2.gz KUIZCZIUOVNXJY-SLFFLAALSA-N 2 1 377.960 3.856 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC001468022521 1067569497 /nfs/dbraw/zinc/56/94/97/1067569497.db2.gz NCICFXBVKISDSG-VXKWHMMOSA-N 2 1 380.536 3.555 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC001468022521 1067569503 /nfs/dbraw/zinc/56/95/03/1067569503.db2.gz NCICFXBVKISDSG-VXKWHMMOSA-N 2 1 380.536 3.555 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001468204747 1067630939 /nfs/dbraw/zinc/63/09/39/1067630939.db2.gz KMWIEDUJIZXMSV-QHAWAJNXSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001468204747 1067630943 /nfs/dbraw/zinc/63/09/43/1067630943.db2.gz KMWIEDUJIZXMSV-QHAWAJNXSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001468204747 1067630947 /nfs/dbraw/zinc/63/09/47/1067630947.db2.gz KMWIEDUJIZXMSV-QHAWAJNXSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001468349852 1067697417 /nfs/dbraw/zinc/69/74/17/1067697417.db2.gz GZVSGUZQMZKLPU-NFBKMPQASA-N 2 1 396.579 3.808 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122439 1067738542 /nfs/dbraw/zinc/73/85/42/1067738542.db2.gz GFKKHXXWHXYWJY-GPJHCHHRSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122439 1067738552 /nfs/dbraw/zinc/73/85/52/1067738552.db2.gz GFKKHXXWHXYWJY-GPJHCHHRSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122439 1067738563 /nfs/dbraw/zinc/73/85/63/1067738563.db2.gz GFKKHXXWHXYWJY-GPJHCHHRSA-N 2 1 390.527 3.800 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000849122439 1067738569 /nfs/dbraw/zinc/73/85/69/1067738569.db2.gz GFKKHXXWHXYWJY-GPJHCHHRSA-N 2 1 390.527 3.800 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001468947554 1067935576 /nfs/dbraw/zinc/93/55/76/1067935576.db2.gz PYKRHOICTPGNCB-OALUTQOASA-N 2 1 380.964 3.506 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)c1 ZINC001469385352 1068136042 /nfs/dbraw/zinc/13/60/42/1068136042.db2.gz NAGAFEUKDVVPEN-VQTJNVASSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001469385352 1068136047 /nfs/dbraw/zinc/13/60/47/1068136047.db2.gz NAGAFEUKDVVPEN-VQTJNVASSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001469385352 1068136050 /nfs/dbraw/zinc/13/60/50/1068136050.db2.gz NAGAFEUKDVVPEN-VQTJNVASSA-N 2 1 388.600 3.933 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001477994231 1078661641 /nfs/dbraw/zinc/66/16/41/1078661641.db2.gz BROUJIOXDQIPAG-NRFANRHFSA-N 2 1 378.605 3.739 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(Cl)cc1 ZINC001478083247 1078707819 /nfs/dbraw/zinc/70/78/19/1078707819.db2.gz FZOXMKYSTOPYNK-UXHICEINSA-N 2 1 392.975 3.649 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC001470135169 1068590021 /nfs/dbraw/zinc/59/00/21/1068590021.db2.gz WXMSRKSWMOPPLD-ZVDOUQERSA-N 2 1 398.551 3.625 20 0 GHADMP CC(C)OCC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460536478 1068990532 /nfs/dbraw/zinc/99/05/32/1068990532.db2.gz AGSNZHNIJYDVHE-GOTSBHOMSA-N 2 1 388.596 3.785 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001460670246 1069074263 /nfs/dbraw/zinc/07/42/63/1069074263.db2.gz GBAMJVLADJYWAR-LJQANCHMSA-N 2 1 382.976 3.688 20 0 GHADMP CC(C)C[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC001460673550 1069076142 /nfs/dbraw/zinc/07/61/42/1069076142.db2.gz XECXOZPRRYTNAY-LJQANCHMSA-N 2 1 386.502 3.909 20 0 GHADMP Cc1ccc([C@@H](NC(=O)CN[C@H](Cn2ccnc2)c2ccccc2)C2CC2)cc1 ZINC001460696140 1069093319 /nfs/dbraw/zinc/09/33/19/1069093319.db2.gz RKRULWVGAPCLEF-ISKFKSNPSA-N 2 1 388.515 3.790 20 0 GHADMP c1ccc(C[NH+]2CCC[N@@H+](C[C@@H]3CCCC34CCOCC4)CCOCC2)cc1 ZINC001460836408 1069210290 /nfs/dbraw/zinc/21/02/90/1069210290.db2.gz MMJZSMLFFUXPHC-QHCPKHFHSA-N 2 1 386.580 3.808 20 0 GHADMP c1ccc(C[NH+]2CCC[N@H+](C[C@@H]3CCCC34CCOCC4)CCOCC2)cc1 ZINC001460836408 1069210297 /nfs/dbraw/zinc/21/02/97/1069210297.db2.gz MMJZSMLFFUXPHC-QHCPKHFHSA-N 2 1 386.580 3.808 20 0 GHADMP c1ccc(C[N@H+]2CCC[NH+](C[C@@H]3CCCC34CCOCC4)CCOCC2)cc1 ZINC001460836408 1069210303 /nfs/dbraw/zinc/21/03/03/1069210303.db2.gz MMJZSMLFFUXPHC-QHCPKHFHSA-N 2 1 386.580 3.808 20 0 GHADMP c1ccc(C[N@@H+]2CCC[NH+](C[C@@H]3CCCC34CCOCC4)CCOCC2)cc1 ZINC001460836408 1069210309 /nfs/dbraw/zinc/21/03/09/1069210309.db2.gz MMJZSMLFFUXPHC-QHCPKHFHSA-N 2 1 386.580 3.808 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC001478599138 1078930183 /nfs/dbraw/zinc/93/01/83/1078930183.db2.gz GTHNQTQVPDKATI-VJBMBRPKSA-N 2 1 394.563 3.685 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC001478599138 1078930189 /nfs/dbraw/zinc/93/01/89/1078930189.db2.gz GTHNQTQVPDKATI-VJBMBRPKSA-N 2 1 394.563 3.685 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471043832 1072901206 /nfs/dbraw/zinc/90/12/06/1072901206.db2.gz ALESTOAYDRYBPP-AKIFATBCSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CC(C)(C)CC(C)(C)C1 ZINC001478941286 1079033664 /nfs/dbraw/zinc/03/36/64/1079033664.db2.gz GHQHCPRQFUEHGU-HXUWFJFHSA-N 2 1 394.648 3.896 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCCCC2)CC1 ZINC001478984622 1079050933 /nfs/dbraw/zinc/05/09/33/1079050933.db2.gz QORAPGLOFFNGQX-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC001478984622 1079050943 /nfs/dbraw/zinc/05/09/43/1079050943.db2.gz QORAPGLOFFNGQX-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001478984622 1079050957 /nfs/dbraw/zinc/05/09/57/1079050957.db2.gz QORAPGLOFFNGQX-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)CC[NH+]2CC[C@H](F)C2)cc1 ZINC001471880724 1073242083 /nfs/dbraw/zinc/24/20/83/1073242083.db2.gz ASPWJRHXDCSIHE-FQEVSTJZSA-N 2 1 399.510 3.570 20 0 GHADMP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)cc1 ZINC001471880724 1073242087 /nfs/dbraw/zinc/24/20/87/1073242087.db2.gz ASPWJRHXDCSIHE-FQEVSTJZSA-N 2 1 399.510 3.570 20 0 GHADMP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](F)C2)cc1 ZINC001471880724 1073242093 /nfs/dbraw/zinc/24/20/93/1073242093.db2.gz ASPWJRHXDCSIHE-FQEVSTJZSA-N 2 1 399.510 3.570 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001472331190 1073427736 /nfs/dbraw/zinc/42/77/36/1073427736.db2.gz PBPMVYMQIUICOM-ZRBLBEILSA-N 2 1 383.580 3.620 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001472495466 1073513462 /nfs/dbraw/zinc/51/34/62/1073513462.db2.gz RWXFVIPBSZFQHF-UEXGIBASSA-N 2 1 389.584 3.607 20 0 GHADMP CS[C@@H]1CN(C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C[C@H]1[NH+](C)C ZINC001473351342 1073931977 /nfs/dbraw/zinc/93/19/77/1073931977.db2.gz IWHMUJONRLCAGT-RBZQAINGSA-N 2 1 397.632 3.880 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCCN2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC001473717748 1074105230 /nfs/dbraw/zinc/10/52/30/1074105230.db2.gz ZOPMVYNHALSZSC-RPBOFIJWSA-N 2 1 399.623 3.864 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC001474028864 1074241261 /nfs/dbraw/zinc/24/12/61/1074241261.db2.gz QZAJTRACPQGHLB-CABCVRRESA-N 2 1 385.346 3.819 20 0 GHADMP Cn1cc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c(C(C)(C)C)n1 ZINC001474302381 1074331451 /nfs/dbraw/zinc/33/14/51/1074331451.db2.gz XQSZCKSBCXBAPI-UHFFFAOYSA-N 2 1 392.551 3.630 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506057 1074437641 /nfs/dbraw/zinc/43/76/41/1074437641.db2.gz ZUZANMZAFVSJHX-IFMALSPDSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506057 1074437647 /nfs/dbraw/zinc/43/76/47/1074437647.db2.gz ZUZANMZAFVSJHX-IFMALSPDSA-N 2 1 399.579 3.896 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001474506057 1074437652 /nfs/dbraw/zinc/43/76/52/1074437652.db2.gz ZUZANMZAFVSJHX-IFMALSPDSA-N 2 1 399.579 3.896 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641798 1074496084 /nfs/dbraw/zinc/49/60/84/1074496084.db2.gz HPMBMACFJGAJEU-QHCPKHFHSA-N 2 1 394.563 3.933 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641798 1074496085 /nfs/dbraw/zinc/49/60/85/1074496085.db2.gz HPMBMACFJGAJEU-QHCPKHFHSA-N 2 1 394.563 3.933 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc4c3NCCC4)C2)ccn1 ZINC001474641798 1074496090 /nfs/dbraw/zinc/49/60/90/1074496090.db2.gz HPMBMACFJGAJEU-QHCPKHFHSA-N 2 1 394.563 3.933 20 0 GHADMP Brc1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC001474698610 1074522131 /nfs/dbraw/zinc/52/21/31/1074522131.db2.gz ZUMSIFRSUBWOFX-LJQANCHMSA-N 2 1 393.369 3.714 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OCc1ccccc1 ZINC001474757144 1074547644 /nfs/dbraw/zinc/54/76/44/1074547644.db2.gz HZCQGLALFVZJRU-GMAHTHKFSA-N 2 1 393.531 3.871 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OCc1ccccc1 ZINC001474757144 1074547650 /nfs/dbraw/zinc/54/76/50/1074547650.db2.gz HZCQGLALFVZJRU-GMAHTHKFSA-N 2 1 393.531 3.871 20 0 GHADMP Cc1c(Cl)ccc2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc21 ZINC001164680166 719633854 /nfs/dbraw/zinc/63/38/54/719633854.db2.gz QWEOFHZLNPRVKS-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP Cc1c(Cl)ccc2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc21 ZINC001164680166 719633860 /nfs/dbraw/zinc/63/38/60/719633860.db2.gz QWEOFHZLNPRVKS-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP CC[C@H](C)c1nc(Cl)c(C)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679423 719649597 /nfs/dbraw/zinc/64/95/97/719649597.db2.gz AFLDZVTZPNLANY-ZDUSSCGKSA-N 2 1 390.963 3.624 20 0 GHADMP CC[C@H](C)c1nc(Cl)c(C)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679423 719649603 /nfs/dbraw/zinc/64/96/03/719649603.db2.gz AFLDZVTZPNLANY-ZDUSSCGKSA-N 2 1 390.963 3.624 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655691958 837674749 /nfs/dbraw/zinc/67/47/49/837674749.db2.gz JEKXBOXJWLWRCU-REHUZNOOSA-N 3 1 385.596 3.507 20 0 GHADMP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655704582 837692277 /nfs/dbraw/zinc/69/22/77/837692277.db2.gz GEBBRUGYGIPBHI-NQIIRXRSSA-N 2 1 391.987 3.708 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000655710421 837701880 /nfs/dbraw/zinc/70/18/80/837701880.db2.gz APVVTUGQJHZSNH-DLBZAZTESA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000655710421 837701885 /nfs/dbraw/zinc/70/18/85/837701885.db2.gz APVVTUGQJHZSNH-DLBZAZTESA-N 2 1 389.341 3.660 20 0 GHADMP c1cc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc2c1OCC2 ZINC000655703492 837698600 /nfs/dbraw/zinc/69/86/00/837698600.db2.gz HGZLSHXQRRFYCX-HSZRJFAPSA-N 2 1 378.516 3.631 20 0 GHADMP Clc1ccc(OCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000655703233 837700074 /nfs/dbraw/zinc/70/00/74/837700074.db2.gz CBUQPOWACSEUEX-KRWDZBQOSA-N 2 1 387.351 3.995 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000557262745 834371690 /nfs/dbraw/zinc/37/16/90/834371690.db2.gz WENJRHQKOAUCCI-LAUBAEHRSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000557262745 834371701 /nfs/dbraw/zinc/37/17/01/834371701.db2.gz WENJRHQKOAUCCI-LAUBAEHRSA-N 2 1 385.939 3.713 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579699973 834410784 /nfs/dbraw/zinc/41/07/84/834410784.db2.gz AWBUOLNTNVUWDR-LSTHTHJFSA-N 2 1 395.950 3.886 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000650722536 834689800 /nfs/dbraw/zinc/68/98/00/834689800.db2.gz WCGQESCSWQWGCB-MZYLBHOOSA-N 2 1 381.520 3.521 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000146012223 834819318 /nfs/dbraw/zinc/81/93/18/834819318.db2.gz QNVIOFQLHDFUTP-QFIPXVFZSA-N 2 1 395.572 3.839 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000536098135 834847764 /nfs/dbraw/zinc/84/77/64/834847764.db2.gz JAPBZZUTULKMCJ-PKTZIBPZSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000246258939 834860780 /nfs/dbraw/zinc/86/07/80/834860780.db2.gz KVMLIVCINOPASP-QHNSYHTFSA-N 2 1 377.532 3.634 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177172032 837817773 /nfs/dbraw/zinc/81/77/73/837817773.db2.gz NADAHAZIVCUINW-GOSISDBHSA-N 2 1 399.539 3.585 20 0 GHADMP Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000548807902 834985770 /nfs/dbraw/zinc/98/57/70/834985770.db2.gz XRTIXURGRWFQSI-UHFFFAOYSA-N 2 1 375.476 3.814 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000130301901 835017448 /nfs/dbraw/zinc/01/74/48/835017448.db2.gz CTODKJYMYKYWED-GHTZIAJQSA-N 2 1 381.520 3.527 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000130301901 835017458 /nfs/dbraw/zinc/01/74/58/835017458.db2.gz CTODKJYMYKYWED-GHTZIAJQSA-N 2 1 381.520 3.527 20 0 GHADMP C[N@H+](Cc1ccccc1OCc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457826 835022597 /nfs/dbraw/zinc/02/25/97/835022597.db2.gz PILJCDOCAVMZOC-XMMPIXPASA-N 2 1 393.575 3.866 20 0 GHADMP C[N@@H+](Cc1ccccc1OCc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457826 835022606 /nfs/dbraw/zinc/02/26/06/835022606.db2.gz PILJCDOCAVMZOC-XMMPIXPASA-N 2 1 393.575 3.866 20 0 GHADMP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685460130 835027000 /nfs/dbraw/zinc/02/70/00/835027000.db2.gz ZCCBMYWVPBDUEC-JOCHJYFZSA-N 2 1 399.535 3.557 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000510085479 835046482 /nfs/dbraw/zinc/04/64/82/835046482.db2.gz MLODMAIQSUUPLG-HSZRJFAPSA-N 2 1 385.596 3.966 20 0 GHADMP Cc1cc(C)n2c(C[N@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)cnc2n1 ZINC000472341752 835147373 /nfs/dbraw/zinc/14/73/73/835147373.db2.gz HFXMDGZOKVIFQR-UNMCSNQZSA-N 2 1 377.536 3.518 20 0 GHADMP Cc1cc(C)n2c(C[N@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)cnc2n1 ZINC000472341737 835147565 /nfs/dbraw/zinc/14/75/65/835147565.db2.gz HFXMDGZOKVIFQR-IFMALSPDSA-N 2 1 377.536 3.518 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969287 835319531 /nfs/dbraw/zinc/31/95/31/835319531.db2.gz LVWOBYZNAMTTLW-BEFAXECRSA-N 2 1 375.463 3.827 20 0 GHADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151368955 835404845 /nfs/dbraw/zinc/40/48/45/835404845.db2.gz VJYHAOPGAUQRKB-UONOGXRCSA-N 2 1 375.340 3.586 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000433363066 844052576 /nfs/dbraw/zinc/05/25/76/844052576.db2.gz QOJHHCNNHILGSJ-AVRDEDQJSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000433363066 844052582 /nfs/dbraw/zinc/05/25/82/844052582.db2.gz QOJHHCNNHILGSJ-AVRDEDQJSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ncc(-c2ccccc2)n1C ZINC000658135458 835444629 /nfs/dbraw/zinc/44/46/29/835444629.db2.gz DUSMUJFLNDNRJD-XMSQKQJNSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ncc(-c2ccccc2)n1C ZINC000658135458 835444635 /nfs/dbraw/zinc/44/46/35/835444635.db2.gz DUSMUJFLNDNRJD-XMSQKQJNSA-N 2 1 390.531 3.505 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135359 835444651 /nfs/dbraw/zinc/44/46/51/835444651.db2.gz DHRPLABBJQDPNL-FPOVZHCZSA-N 2 1 386.923 3.910 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1OC(F)F ZINC000658142173 835453642 /nfs/dbraw/zinc/45/36/42/835453642.db2.gz VCLXDCVXFDZHHV-KDOFPFPSSA-N 2 1 394.437 3.845 20 0 GHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658137750 835462551 /nfs/dbraw/zinc/46/25/51/835462551.db2.gz IGNAUMYRBYKWCT-KOSHJBKYSA-N 2 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658137750 835462562 /nfs/dbraw/zinc/46/25/62/835462562.db2.gz IGNAUMYRBYKWCT-KOSHJBKYSA-N 3 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658137750 835462569 /nfs/dbraw/zinc/46/25/69/835462569.db2.gz IGNAUMYRBYKWCT-KOSHJBKYSA-N 3 1 390.531 3.598 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000133330598 835519392 /nfs/dbraw/zinc/51/93/92/835519392.db2.gz YCPITZQHLLHNBF-PGRDOPGGSA-N 2 1 381.520 3.527 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000133330598 835519399 /nfs/dbraw/zinc/51/93/99/835519399.db2.gz YCPITZQHLLHNBF-PGRDOPGGSA-N 2 1 381.520 3.527 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000080650490 835587101 /nfs/dbraw/zinc/58/71/01/835587101.db2.gz DEVDLVOBLIXHFX-OAHLLOKOSA-N 2 1 378.542 3.682 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000584248528 835807788 /nfs/dbraw/zinc/80/77/88/835807788.db2.gz SJSZTBBXJYVDPA-WOJBJXKFSA-N 2 1 390.568 3.564 20 0 GHADMP C[NH+](C)CC1CCN(c2ccccc2NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000471219321 835938353 /nfs/dbraw/zinc/93/83/53/835938353.db2.gz QQFFRFOUXIRYNL-UHFFFAOYSA-N 2 1 394.563 3.535 20 0 GHADMP C[NH+](C)CC1CCN(c2ccccc2NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000471219321 835938357 /nfs/dbraw/zinc/93/83/57/835938357.db2.gz QQFFRFOUXIRYNL-UHFFFAOYSA-N 2 1 394.563 3.535 20 0 GHADMP COc1ccc(OCc2nc(C[N@H+](C)CC3CC[NH+](C)CC3)cs2)cc1 ZINC000154688632 835940665 /nfs/dbraw/zinc/94/06/65/835940665.db2.gz BGWYPEBWYUOPNC-UHFFFAOYSA-N 2 1 375.538 3.504 20 0 GHADMP COc1ccc(OCc2nc(C[N@@H+](C)CC3CC[NH+](C)CC3)cs2)cc1 ZINC000154688632 835940673 /nfs/dbraw/zinc/94/06/73/835940673.db2.gz BGWYPEBWYUOPNC-UHFFFAOYSA-N 2 1 375.538 3.504 20 0 GHADMP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587076 844121208 /nfs/dbraw/zinc/12/12/08/844121208.db2.gz JKFQQAMGFQUQJM-KDURUIRLSA-N 2 1 382.552 3.502 20 0 GHADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OCc1cccnc1 ZINC000647479310 836174964 /nfs/dbraw/zinc/17/49/64/836174964.db2.gz BUMXJULWJZNWIG-SFTDATJTSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OCc1cccnc1 ZINC000647479310 836174970 /nfs/dbraw/zinc/17/49/70/836174970.db2.gz BUMXJULWJZNWIG-SFTDATJTSA-N 2 1 381.520 3.633 20 0 GHADMP CC[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000685773966 836209231 /nfs/dbraw/zinc/20/92/31/836209231.db2.gz ZGLHRYARXMJAPX-NKKJXINNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000685773966 836209234 /nfs/dbraw/zinc/20/92/34/836209234.db2.gz ZGLHRYARXMJAPX-NKKJXINNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000685773966 836209241 /nfs/dbraw/zinc/20/92/41/836209241.db2.gz ZGLHRYARXMJAPX-NKKJXINNSA-N 2 1 393.575 3.924 20 0 GHADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173878549 836318630 /nfs/dbraw/zinc/31/86/30/836318630.db2.gz WBAUNPUMJLQOQX-HZPDHXFCSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173878549 836318639 /nfs/dbraw/zinc/31/86/39/836318639.db2.gz WBAUNPUMJLQOQX-HZPDHXFCSA-N 2 1 387.351 3.541 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccc(Br)cc1 ZINC000173879681 836318840 /nfs/dbraw/zinc/31/88/40/836318840.db2.gz WLEZTMXJKPNBOP-INIZCTEOSA-N 2 1 394.357 3.586 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)N2CCC([NH2+]C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000893819327 844167572 /nfs/dbraw/zinc/16/75/72/844167572.db2.gz JVAIRSNGJPSZTJ-FPOVZHCZSA-N 2 1 398.595 3.603 20 0 GHADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170780196 836667371 /nfs/dbraw/zinc/66/73/71/836667371.db2.gz RDPWNYQFONWZJO-QZTJIDSGSA-N 2 1 388.552 3.609 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000431674380 836672561 /nfs/dbraw/zinc/67/25/61/836672561.db2.gz DFNWSTMAMJATEQ-XQBPLPMBSA-N 2 1 392.632 3.649 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)cc2c1C ZINC000545313991 836758458 /nfs/dbraw/zinc/75/84/58/836758458.db2.gz QCCVFSMMHXADPY-NRFANRHFSA-N 2 1 382.577 3.925 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000471276884 836794183 /nfs/dbraw/zinc/79/41/83/836794183.db2.gz KRPKPUCDBTUARN-RXVVDRJESA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000471276884 836794188 /nfs/dbraw/zinc/79/41/88/836794188.db2.gz KRPKPUCDBTUARN-RXVVDRJESA-N 2 1 385.939 3.581 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000431696804 836901110 /nfs/dbraw/zinc/90/11/10/836901110.db2.gz FHRZATPULBSVJG-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431696804 836901117 /nfs/dbraw/zinc/90/11/17/836901117.db2.gz FHRZATPULBSVJG-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431696804 836901126 /nfs/dbraw/zinc/90/11/26/836901126.db2.gz FHRZATPULBSVJG-SJBKTWHCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431697687 836909201 /nfs/dbraw/zinc/90/92/01/836909201.db2.gz IWXRCRXWHXPRTG-KNQAVFIVSA-N 2 1 386.584 3.651 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC[C@@H]1[NH3+] ZINC000647497861 837054983 /nfs/dbraw/zinc/05/49/83/837054983.db2.gz YIVQZWYUESRUDT-KXBFYZLASA-N 2 1 391.357 3.811 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548490942 844236993 /nfs/dbraw/zinc/23/69/93/844236993.db2.gz XIVZPDHZLYEVEJ-GPUOULLFSA-N 2 1 393.575 3.560 20 0 GHADMP C[C@H](NCc1ccc(N2CCN(C)CC2)nc1)c1csc(-c2ccccc2)n1 ZINC000414060251 837311287 /nfs/dbraw/zinc/31/12/87/837311287.db2.gz JGKQHKKHGGRFMI-KRWDZBQOSA-N 2 1 393.560 3.808 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000051129924 837920916 /nfs/dbraw/zinc/92/09/16/837920916.db2.gz JFVBHSWKOUZCDE-LJQANCHMSA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000051129924 837920924 /nfs/dbraw/zinc/92/09/24/837920924.db2.gz JFVBHSWKOUZCDE-LJQANCHMSA-N 2 1 397.538 3.908 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)CC1 ZINC000051501921 837968488 /nfs/dbraw/zinc/96/84/88/837968488.db2.gz UCKQHLPTLRDQBO-GOSISDBHSA-N 2 1 385.577 3.830 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)CC1 ZINC000051501921 837968494 /nfs/dbraw/zinc/96/84/94/837968494.db2.gz UCKQHLPTLRDQBO-GOSISDBHSA-N 2 1 385.577 3.830 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000582131445 838181130 /nfs/dbraw/zinc/18/11/30/838181130.db2.gz IEBSWSDEAOEOIT-BJKOFHAPSA-N 2 1 397.607 3.977 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000052209642 844305613 /nfs/dbraw/zinc/30/56/13/844305613.db2.gz JVJKDWJCHQSGJT-UHFFFAOYSA-N 2 1 385.552 3.507 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415913175 838270005 /nfs/dbraw/zinc/27/00/05/838270005.db2.gz AICBVSGTGSDKDM-RTBURBONSA-N 2 1 380.536 3.923 20 0 GHADMP CCC[C@@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000415921223 838271044 /nfs/dbraw/zinc/27/10/44/838271044.db2.gz LKRMEUWERDTVOU-OAQYLSRUSA-N 2 1 380.536 3.924 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000415934472 838283631 /nfs/dbraw/zinc/28/36/31/838283631.db2.gz HXGRIYSQDUCLHT-GOSISDBHSA-N 2 1 396.535 3.720 20 0 GHADMP C[C@H](CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000415948749 838304039 /nfs/dbraw/zinc/30/40/39/838304039.db2.gz AKWRLLSOTZLFCQ-MRXNPFEDSA-N 2 1 384.499 3.504 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000659364983 838326806 /nfs/dbraw/zinc/32/68/06/838326806.db2.gz CNLSCAIGELPSDK-QFIPXVFZSA-N 2 1 381.520 3.832 20 0 GHADMP CCN(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415975976 838353432 /nfs/dbraw/zinc/35/34/32/838353432.db2.gz QFWMBNDWIFNCGH-LJQANCHMSA-N 2 1 396.510 3.600 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000651252596 838364838 /nfs/dbraw/zinc/36/48/38/838364838.db2.gz LEUZNYTZWMRCFK-CJRSTVEYSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275732265 838598979 /nfs/dbraw/zinc/59/89/79/838598979.db2.gz XOJRNWWHWMTKFB-KNQAVFIVSA-N 2 1 394.563 3.823 20 0 GHADMP COC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000683814920 838915334 /nfs/dbraw/zinc/91/53/34/838915334.db2.gz CJQATJDTLOISTR-MOPGFXCFSA-N 2 1 393.984 3.667 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000580127273 838933102 /nfs/dbraw/zinc/93/31/02/838933102.db2.gz FDLJABOUFAYCLW-DEOSSOPVSA-N 2 1 387.531 3.674 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000580127273 838933106 /nfs/dbraw/zinc/93/31/06/838933106.db2.gz FDLJABOUFAYCLW-DEOSSOPVSA-N 2 1 387.531 3.674 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1-n1cncn1 ZINC000580127273 838933117 /nfs/dbraw/zinc/93/31/17/838933117.db2.gz FDLJABOUFAYCLW-DEOSSOPVSA-N 2 1 387.531 3.674 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc(C[NH+](C)C)cc3)C2)s1 ZINC000580200767 839038721 /nfs/dbraw/zinc/03/87/21/839038721.db2.gz IEXQSOFMRWYJGT-IBGZPJMESA-N 2 1 385.577 3.712 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000189051485 839062309 /nfs/dbraw/zinc/06/23/09/839062309.db2.gz UDHYBRCGHAGUFR-AOMKIAJQSA-N 2 1 392.478 3.772 20 0 GHADMP c1ccc(CC(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)Cc2ccccc2)cc1 ZINC000415055796 839137225 /nfs/dbraw/zinc/13/72/25/839137225.db2.gz OUKMKYSDISPPDY-UHFFFAOYSA-N 2 1 391.603 3.894 20 0 GHADMP CO[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000659992448 839163926 /nfs/dbraw/zinc/16/39/26/839163926.db2.gz IMONTNVQXNDNTB-QHCPKHFHSA-N 2 1 379.633 3.710 20 0 GHADMP CO[C@@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000659992448 839163935 /nfs/dbraw/zinc/16/39/35/839163935.db2.gz IMONTNVQXNDNTB-QHCPKHFHSA-N 3 1 379.633 3.710 20 0 GHADMP CO[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000659992448 839163942 /nfs/dbraw/zinc/16/39/42/839163942.db2.gz IMONTNVQXNDNTB-QHCPKHFHSA-N 3 1 379.633 3.710 20 0 GHADMP O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415073628 839171144 /nfs/dbraw/zinc/17/11/44/839171144.db2.gz BFBMEYDNRGRSGP-UGKGYDQZSA-N 2 1 381.495 3.513 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000047791919 839220340 /nfs/dbraw/zinc/22/03/40/839220340.db2.gz UCDLNCOLADHCLI-NQIIRXRSSA-N 2 1 398.551 3.614 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000047791919 839220354 /nfs/dbraw/zinc/22/03/54/839220354.db2.gz UCDLNCOLADHCLI-NQIIRXRSSA-N 2 1 398.551 3.614 20 0 GHADMP Cc1cc(C)cc(-c2ccc(C[N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)cc2)c1 ZINC000415120016 839237521 /nfs/dbraw/zinc/23/75/21/839237521.db2.gz FQYWWQDHKPIBFI-HSZRJFAPSA-N 2 1 375.520 3.858 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)NC(c3ccccc3)c3ccccc3)C2)C1 ZINC000549840776 844439425 /nfs/dbraw/zinc/43/94/25/844439425.db2.gz ONYYEXYGCWONSY-RUZDIDTESA-N 2 1 391.559 3.700 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCN(Cc4ccccn4)CC3)CC23CC3)cc1 ZINC000580430539 839550080 /nfs/dbraw/zinc/55/00/80/839550080.db2.gz JXXKLOCYWIQGQQ-QHCPKHFHSA-N 2 1 390.575 3.833 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCN(Cc4ccccn4)CC3)CC23CC3)cc1 ZINC000580430539 839550089 /nfs/dbraw/zinc/55/00/89/839550089.db2.gz JXXKLOCYWIQGQQ-QHCPKHFHSA-N 2 1 390.575 3.833 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000512550556 844502754 /nfs/dbraw/zinc/50/27/54/844502754.db2.gz JIJNYOXEBQUQFR-KJXAQDMKSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512550556 844502760 /nfs/dbraw/zinc/50/27/60/844502760.db2.gz JIJNYOXEBQUQFR-KJXAQDMKSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512550556 844502766 /nfs/dbraw/zinc/50/27/66/844502766.db2.gz JIJNYOXEBQUQFR-KJXAQDMKSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3cccc4ccccc43)CC2)CC1 ZINC000511580752 840103112 /nfs/dbraw/zinc/10/31/12/840103112.db2.gz XNRVKTIVLFDWHU-UHFFFAOYSA-N 2 1 391.559 3.918 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)CC1 ZINC000511580752 840103123 /nfs/dbraw/zinc/10/31/23/840103123.db2.gz XNRVKTIVLFDWHU-UHFFFAOYSA-N 2 1 391.559 3.918 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cs2)c1OC ZINC000580777343 840158976 /nfs/dbraw/zinc/15/89/76/840158976.db2.gz QMICEPISBLPNGC-OAHLLOKOSA-N 2 1 387.549 3.791 20 0 GHADMP CN(C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000580788795 840188293 /nfs/dbraw/zinc/18/82/93/840188293.db2.gz PUCNJOHUQLVNFA-UHFFFAOYSA-N 2 1 377.532 3.638 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416972168 840327214 /nfs/dbraw/zinc/32/72/14/840327214.db2.gz IACXFEBKRLCVFA-LSWJPFSZSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000416975115 840331678 /nfs/dbraw/zinc/33/16/78/840331678.db2.gz MIPMUGLTACQBBO-CVDCTZTESA-N 2 1 398.595 3.735 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000511710857 840543282 /nfs/dbraw/zinc/54/32/82/840543282.db2.gz ZHYPRNDFDAFBLJ-FQEVSTJZSA-N 2 1 393.522 3.525 20 0 GHADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000417226173 840606870 /nfs/dbraw/zinc/60/68/70/840606870.db2.gz TVDPNPWWXQIJBS-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP Cc1c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c(=O)n(-c2ccccc2)n1C ZINC000065976515 840850331 /nfs/dbraw/zinc/85/03/31/840850331.db2.gz MYTDOOWGMAITJZ-UHFFFAOYSA-N 2 1 392.547 3.614 20 0 GHADMP [NH3+]C1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000417577319 841020914 /nfs/dbraw/zinc/02/09/14/841020914.db2.gz WKGZNLCGKJWUOQ-UHFFFAOYSA-N 2 1 399.366 3.527 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651507 841058298 /nfs/dbraw/zinc/05/82/98/841058298.db2.gz ASMZNDCJLYZHFY-NTKDMRAZSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651507 841058309 /nfs/dbraw/zinc/05/83/09/841058309.db2.gz ASMZNDCJLYZHFY-NTKDMRAZSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651507 841058326 /nfs/dbraw/zinc/05/83/26/841058326.db2.gz ASMZNDCJLYZHFY-NTKDMRAZSA-N 2 1 377.532 3.573 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651502 841058623 /nfs/dbraw/zinc/05/86/23/841058623.db2.gz ASMZNDCJLYZHFY-CYFREDJKSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651502 841058636 /nfs/dbraw/zinc/05/86/36/841058636.db2.gz ASMZNDCJLYZHFY-CYFREDJKSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000660651502 841058645 /nfs/dbraw/zinc/05/86/45/841058645.db2.gz ASMZNDCJLYZHFY-CYFREDJKSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH2+]CCC1CC[NH+](CC(=O)c2cc(C)n(CCc3cccs3)c2C)CC1 ZINC000581311266 841061278 /nfs/dbraw/zinc/06/12/78/841061278.db2.gz TYDLQZCWKHJARO-UHFFFAOYSA-N 2 1 387.593 3.913 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430559196 841092861 /nfs/dbraw/zinc/09/28/61/841092861.db2.gz ZYGGFJHBSJUANL-JOQOYGCGSA-N 2 1 384.351 3.716 20 0 GHADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430559196 841092872 /nfs/dbraw/zinc/09/28/72/841092872.db2.gz ZYGGFJHBSJUANL-JOQOYGCGSA-N 2 1 384.351 3.716 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000417887545 841240889 /nfs/dbraw/zinc/24/08/89/841240889.db2.gz ICNWWBUREUDRLM-QPXQOZNCSA-N 2 1 394.563 3.662 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418016486 841386335 /nfs/dbraw/zinc/38/63/35/841386335.db2.gz ZXBLCXWKYOHHON-NIKGAXFTSA-N 2 1 398.954 3.820 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418016486 841386348 /nfs/dbraw/zinc/38/63/48/841386348.db2.gz ZXBLCXWKYOHHON-NIKGAXFTSA-N 2 1 398.954 3.820 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000581429905 841387395 /nfs/dbraw/zinc/38/73/95/841387395.db2.gz OLVVVTTZNGZFHB-CABCVRRESA-N 2 1 380.414 3.577 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000500152301 841526681 /nfs/dbraw/zinc/52/66/81/841526681.db2.gz CPQHSUXQUCOHIZ-URVUXULASA-N 2 1 388.600 3.653 20 0 GHADMP CCCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC)C1CC[NH2+]CC1 ZINC000418177569 841616212 /nfs/dbraw/zinc/61/62/12/841616212.db2.gz HVIGIZVGTHLSTD-HXUWFJFHSA-N 2 1 394.991 3.897 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662797005 841648604 /nfs/dbraw/zinc/64/86/04/841648604.db2.gz FNWQOSKQAGHDHL-VXKWHMMOSA-N 2 1 399.485 3.564 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662797005 841648608 /nfs/dbraw/zinc/64/86/08/841648608.db2.gz FNWQOSKQAGHDHL-VXKWHMMOSA-N 2 1 399.485 3.564 20 0 GHADMP c1ccc(C[N@H+]2CCOCC23CCCC3)c(C[NH+]2CCOCC23CCCC3)c1 ZINC000487353095 841730201 /nfs/dbraw/zinc/73/02/01/841730201.db2.gz MYZLDKWITNBEMA-UHFFFAOYSA-N 2 1 384.564 3.977 20 0 GHADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001167473968 841791838 /nfs/dbraw/zinc/79/18/38/841791838.db2.gz ODLJFMGHMSILJS-LEWJYISDSA-N 2 1 383.536 3.924 20 0 GHADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000581660983 841930664 /nfs/dbraw/zinc/93/06/64/841930664.db2.gz SISHRRKQRYCJSL-VPSDZCSPSA-N 2 1 383.580 3.559 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001266801603 842033945 /nfs/dbraw/zinc/03/39/45/842033945.db2.gz FTGIEGYMUKMGRV-QEFHDYNCSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001266801603 842033954 /nfs/dbraw/zinc/03/39/54/842033954.db2.gz FTGIEGYMUKMGRV-QEFHDYNCSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C[C@@H]1C ZINC001266801603 842033963 /nfs/dbraw/zinc/03/39/63/842033963.db2.gz FTGIEGYMUKMGRV-QEFHDYNCSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001167825079 842037138 /nfs/dbraw/zinc/03/71/38/842037138.db2.gz JWBNTNXSVBGILB-ICSRJNTNSA-N 2 1 395.542 3.525 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(OC)c1OCc1ccccc1 ZINC000261942877 842071245 /nfs/dbraw/zinc/07/12/45/842071245.db2.gz DWPADUHHOLKMRL-UHFFFAOYSA-N 2 1 396.531 3.858 20 0 GHADMP O=C1c2ccccc2[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N1Cc1ccccc1 ZINC000623643063 861268633 /nfs/dbraw/zinc/26/86/33/861268633.db2.gz LWQNUYTVZRJLRX-JTAQYXEDSA-N 2 1 375.516 3.600 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001167827653 842091467 /nfs/dbraw/zinc/09/14/67/842091467.db2.gz UNAPEGBSZMYEEM-ICSRJNTNSA-N 2 1 395.542 3.525 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001167827654 842091503 /nfs/dbraw/zinc/09/15/03/842091503.db2.gz UNAPEGBSZMYEEM-QUCCMNQESA-N 2 1 395.542 3.525 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000652347276 842324821 /nfs/dbraw/zinc/32/48/21/842324821.db2.gz XVFCMXSWLAWGKL-DWRORGKVSA-N 2 1 393.959 3.502 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000652347276 842324830 /nfs/dbraw/zinc/32/48/30/842324830.db2.gz XVFCMXSWLAWGKL-DWRORGKVSA-N 2 1 393.959 3.502 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001167836203 842329591 /nfs/dbraw/zinc/32/95/91/842329591.db2.gz XINKIEZEACHLGT-CVEARBPZSA-N 2 1 388.478 3.849 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000796678022 842385436 /nfs/dbraw/zinc/38/54/36/842385436.db2.gz GMLXUEIVQMSZGN-IHPCNDPISA-N 2 1 397.604 3.549 20 0 GHADMP Cc1cccc([C@H](C)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430668309 842440243 /nfs/dbraw/zinc/44/02/43/842440243.db2.gz HQPXLSFUECRIKM-FQEVSTJZSA-N 2 1 385.596 3.753 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000510480932 842440849 /nfs/dbraw/zinc/44/08/49/842440849.db2.gz LXCVIDKPYVTUHR-ZCNNSNEGSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000510480932 842440854 /nfs/dbraw/zinc/44/08/54/842440854.db2.gz LXCVIDKPYVTUHR-ZCNNSNEGSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000510480932 842440858 /nfs/dbraw/zinc/44/08/58/842440858.db2.gz LXCVIDKPYVTUHR-ZCNNSNEGSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CCCO1 ZINC000432426737 842455142 /nfs/dbraw/zinc/45/51/42/842455142.db2.gz USJLNUKUFRZBKJ-BEFAXECRSA-N 2 1 381.358 3.991 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000647195746 842540015 /nfs/dbraw/zinc/54/00/15/842540015.db2.gz BSGOQGSPBCYNOU-FPOVZHCZSA-N 2 1 375.520 3.658 20 0 GHADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC000581953411 842799119 /nfs/dbraw/zinc/79/91/19/842799119.db2.gz OBMRJBDSQWENJL-NQIIRXRSSA-N 2 1 379.504 3.532 20 0 GHADMP COc1ccc2c(c1)[C@H]([N@H+](Cc1ccccc1)C[C@@H]1CCC3(C[NH2+]C3)O1)CCO2 ZINC000662254757 843020768 /nfs/dbraw/zinc/02/07/68/843020768.db2.gz LCHPGKKFHYWMHV-RBBKRZOGSA-N 2 1 394.515 3.542 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1)Nc1cccc(F)c1 ZINC000662255648 843025894 /nfs/dbraw/zinc/02/58/94/843025894.db2.gz ZOJWVRLMCIQXAU-QGZVFWFLSA-N 2 1 396.510 3.505 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000662290042 843078942 /nfs/dbraw/zinc/07/89/42/843078942.db2.gz GBWYPFLIMOVJBP-HSZRJFAPSA-N 2 1 391.559 3.928 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000662298294 843091115 /nfs/dbraw/zinc/09/11/15/843091115.db2.gz VFJRYHVIGFXRIS-FUHWJXTLSA-N 2 1 377.960 3.995 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295997 843092446 /nfs/dbraw/zinc/09/24/46/843092446.db2.gz JSYOMCLDDIHVNB-BHIYHBOVSA-N 2 1 375.582 3.512 20 0 GHADMP COCCOc1ccc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000512212219 843106671 /nfs/dbraw/zinc/10/66/71/843106671.db2.gz KRLOLCNWUJAQPK-FPOVZHCZSA-N 2 1 390.568 3.807 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662388588 843169917 /nfs/dbraw/zinc/16/99/17/843169917.db2.gz RLSUVVXQYCGUSZ-INIZCTEOSA-N 2 1 383.561 3.698 20 0 GHADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430913131 843172269 /nfs/dbraw/zinc/17/22/69/843172269.db2.gz RVSBMIXRIMKWDV-NFBKMPQASA-N 2 1 379.633 3.710 20 0 GHADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913131 843172274 /nfs/dbraw/zinc/17/22/74/843172274.db2.gz RVSBMIXRIMKWDV-NFBKMPQASA-N 3 1 379.633 3.710 20 0 GHADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913131 843172278 /nfs/dbraw/zinc/17/22/78/843172278.db2.gz RVSBMIXRIMKWDV-NFBKMPQASA-N 3 1 379.633 3.710 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2ccc3ccccc3c2)C2CC2)CC1 ZINC000089117566 843183894 /nfs/dbraw/zinc/18/38/94/843183894.db2.gz KGJBSZBDMIYEOA-SFHVURJKSA-N 2 1 379.548 3.966 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCC1=CCCCC1 ZINC000430973366 843293801 /nfs/dbraw/zinc/29/38/01/843293801.db2.gz UAQURQPSASCBNT-UHFFFAOYSA-N 2 1 390.616 3.715 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000512305577 843347555 /nfs/dbraw/zinc/34/75/55/843347555.db2.gz FNURGWGVZDXXKN-UHFFFAOYSA-N 2 1 387.527 3.859 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503882 843349365 /nfs/dbraw/zinc/34/93/65/843349365.db2.gz XPQNUIUKCAKXGS-XWGVYQGASA-N 2 1 389.543 3.734 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000091829748 843438372 /nfs/dbraw/zinc/43/83/72/843438372.db2.gz FBWIWYWIYFHJOJ-UHFFFAOYSA-N 2 1 395.547 3.636 20 0 GHADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000418681155 843528853 /nfs/dbraw/zinc/52/88/53/843528853.db2.gz YNZFMOVWLUBXQF-GOSISDBHSA-N 2 1 392.547 3.601 20 0 GHADMP CN(C(=O)c1ccc(C(F)F)o1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000626262038 843555795 /nfs/dbraw/zinc/55/57/95/843555795.db2.gz SUEGFCBGKPQYEP-CVEARBPZSA-N 2 1 383.483 3.626 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001167821829 843708761 /nfs/dbraw/zinc/70/87/61/843708761.db2.gz FVUFLIFLESZDCG-ILWGZMRPSA-N 2 1 375.557 3.594 20 0 GHADMP FC1(F)CCC[C@@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444084 843818720 /nfs/dbraw/zinc/81/87/20/843818720.db2.gz KMQBWNZWYQPEPV-NHCUHLMSSA-N 2 1 377.523 3.704 20 0 GHADMP CC1(C)Cc2cccc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)c2O1 ZINC000180986642 844675683 /nfs/dbraw/zinc/67/56/83/844675683.db2.gz YMFBACRMUGAAEC-QFIPXVFZSA-N 2 1 380.532 3.647 20 0 GHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549928241 844812683 /nfs/dbraw/zinc/81/26/83/844812683.db2.gz LAJSZKYDIFCSRJ-OALUTQOASA-N 2 1 389.584 3.604 20 0 GHADMP C[N@H+](Cc1ccnn1-c1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000474939441 861503217 /nfs/dbraw/zinc/50/32/17/861503217.db2.gz UFHFXTDKZCUZBB-UHFFFAOYSA-N 2 1 379.483 3.755 20 0 GHADMP C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000246650698 844870125 /nfs/dbraw/zinc/87/01/25/844870125.db2.gz ZDQOYUYBUPAPQX-CRAIPNDOSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000246650698 844870131 /nfs/dbraw/zinc/87/01/31/844870131.db2.gz ZDQOYUYBUPAPQX-CRAIPNDOSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000246650698 844870144 /nfs/dbraw/zinc/87/01/44/844870144.db2.gz ZDQOYUYBUPAPQX-CRAIPNDOSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000645127879 845194695 /nfs/dbraw/zinc/19/46/95/845194695.db2.gz CHKRVQKODROZSQ-KNQAVFIVSA-N 2 1 399.579 3.544 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000277208213 845298652 /nfs/dbraw/zinc/29/86/52/845298652.db2.gz NBICNYGGNZEZIC-UHFFFAOYSA-N 2 1 381.524 3.670 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000277208213 845298673 /nfs/dbraw/zinc/29/86/73/845298673.db2.gz NBICNYGGNZEZIC-UHFFFAOYSA-N 2 1 381.524 3.670 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262342174 845340274 /nfs/dbraw/zinc/34/02/74/845340274.db2.gz SVXZTTORAREDBV-OIRDZHBESA-N 2 1 383.580 3.511 20 0 GHADMP CC(=O)c1ccccc1OCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390727 861560834 /nfs/dbraw/zinc/56/08/34/861560834.db2.gz OJKDJUSYJIBIEV-UHFFFAOYSA-N 2 1 381.520 3.902 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000051853046 845383478 /nfs/dbraw/zinc/38/34/78/845383478.db2.gz WNOAWRVBBYTQML-QFIPXVFZSA-N 2 1 397.588 3.974 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000051853046 845383492 /nfs/dbraw/zinc/38/34/92/845383492.db2.gz WNOAWRVBBYTQML-QFIPXVFZSA-N 2 1 397.588 3.974 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1Br ZINC000179510750 861610092 /nfs/dbraw/zinc/61/00/92/861610092.db2.gz WDJPSCQNXZKWOO-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000431329641 845977515 /nfs/dbraw/zinc/97/75/15/845977515.db2.gz SHHMWTNJGQWCTM-HXUWFJFHSA-N 2 1 379.976 3.725 20 0 GHADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OCc1ccncc1 ZINC000105443080 845993333 /nfs/dbraw/zinc/99/33/33/845993333.db2.gz PYDVXTWOHJEPGU-QGZVFWFLSA-N 2 1 380.492 3.600 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657311909 846037966 /nfs/dbraw/zinc/03/79/66/846037966.db2.gz ZAQJSKNQTJUDAO-HNNXBMFYSA-N 2 1 380.458 3.961 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657311909 846037975 /nfs/dbraw/zinc/03/79/75/846037975.db2.gz ZAQJSKNQTJUDAO-HNNXBMFYSA-N 2 1 380.458 3.961 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000669708399 861633829 /nfs/dbraw/zinc/63/38/29/861633829.db2.gz PPHWZYSWQBMNHS-DQSGYLJSSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000669708399 861633831 /nfs/dbraw/zinc/63/38/31/861633831.db2.gz PPHWZYSWQBMNHS-DQSGYLJSSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000669708399 861633835 /nfs/dbraw/zinc/63/38/35/861633835.db2.gz PPHWZYSWQBMNHS-DQSGYLJSSA-N 2 1 381.486 3.821 20 0 GHADMP Cc1nc2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)cc2o1 ZINC000279997791 846262224 /nfs/dbraw/zinc/26/22/24/846262224.db2.gz KWFQRFJNCPNWEV-SFTDATJTSA-N 2 1 398.551 3.545 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000502614594 846271438 /nfs/dbraw/zinc/27/14/38/846271438.db2.gz AAETXCOHZULOKZ-MWXLCCTBSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000548673344 846305312 /nfs/dbraw/zinc/30/53/12/846305312.db2.gz JVUXJWFJDHVHBW-ZXNZYJFHSA-N 2 1 396.535 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC[N@H+]1Cc1ccccc1 ZINC000548673344 846305324 /nfs/dbraw/zinc/30/53/24/846305324.db2.gz JVUXJWFJDHVHBW-ZXNZYJFHSA-N 2 1 396.535 3.810 20 0 GHADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000513691091 846339939 /nfs/dbraw/zinc/33/99/39/846339939.db2.gz QUFVNWHSKTVDJF-NUJGCVRESA-N 2 1 394.357 3.549 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@@H]1C ZINC000502785114 846486125 /nfs/dbraw/zinc/48/61/25/846486125.db2.gz RPCNUEBFLYQLMH-HAMDTZRPSA-N 2 1 378.605 3.544 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1)C1CC1 ZINC000511084805 846510602 /nfs/dbraw/zinc/51/06/02/846510602.db2.gz GIGPSZABMRCQAK-UHFFFAOYSA-N 2 1 391.559 3.937 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1)C1CC1 ZINC000511084805 846510608 /nfs/dbraw/zinc/51/06/08/846510608.db2.gz GIGPSZABMRCQAK-UHFFFAOYSA-N 2 1 391.559 3.937 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000502852090 846547169 /nfs/dbraw/zinc/54/71/69/846547169.db2.gz ZZXUEJGTKWHPMM-QGZVFWFLSA-N 2 1 394.523 3.575 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000502852090 846547171 /nfs/dbraw/zinc/54/71/71/846547171.db2.gz ZZXUEJGTKWHPMM-QGZVFWFLSA-N 2 1 394.523 3.575 20 0 GHADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023187 846558325 /nfs/dbraw/zinc/55/83/25/846558325.db2.gz SKXPVJIQWAQACX-UHFFFAOYSA-N 2 1 386.927 3.830 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000502896274 846589975 /nfs/dbraw/zinc/58/99/75/846589975.db2.gz UJJCUGDIWGLUEY-UNMCSNQZSA-N 2 1 386.584 3.777 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502884685 846597124 /nfs/dbraw/zinc/59/71/24/846597124.db2.gz IYUSSOJPIWHCDP-SNRMKQJTSA-N 2 1 383.939 3.755 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000684798318 846661135 /nfs/dbraw/zinc/66/11/35/846661135.db2.gz RGTYLTVGHGZPDQ-NRFANRHFSA-N 2 1 384.568 3.520 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000684798318 846661137 /nfs/dbraw/zinc/66/11/37/846661137.db2.gz RGTYLTVGHGZPDQ-NRFANRHFSA-N 2 1 384.568 3.520 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501162884 846694167 /nfs/dbraw/zinc/69/41/67/846694167.db2.gz LBEUIDWXFLHPCL-ZIFCJYIRSA-N 2 1 380.602 3.693 20 0 GHADMP COc1cc2c(NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)cc[nH+]c2cc1F ZINC000664236247 846765288 /nfs/dbraw/zinc/76/52/88/846765288.db2.gz IHLCSYPVWLBJEU-QGZVFWFLSA-N 2 1 381.451 3.561 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000628337740 846784125 /nfs/dbraw/zinc/78/41/25/846784125.db2.gz PJGYRVBIARALSZ-HXUWFJFHSA-N 2 1 378.438 3.604 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657386700 846802106 /nfs/dbraw/zinc/80/21/06/846802106.db2.gz JJZJJQZTGQMRIK-YGOYIFOWSA-N 2 1 380.532 3.855 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000501492349 846952650 /nfs/dbraw/zinc/95/26/50/846952650.db2.gz SXZBFWKNIRLVAE-JOCHJYFZSA-N 2 1 388.502 3.923 20 0 GHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000501493870 846962959 /nfs/dbraw/zinc/96/29/59/846962959.db2.gz CWFAQBODJVDLHK-GPMSIDNRSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000501493870 846962976 /nfs/dbraw/zinc/96/29/76/846962976.db2.gz CWFAQBODJVDLHK-GPMSIDNRSA-N 2 1 380.964 3.505 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000272084064 846987670 /nfs/dbraw/zinc/98/76/70/846987670.db2.gz HWUFFBVHIILCRC-QFIPXVFZSA-N 2 1 384.568 3.563 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000272293591 847040138 /nfs/dbraw/zinc/04/01/38/847040138.db2.gz FQMMWDJCDFTKLX-BBTUJRGHSA-N 2 1 377.532 3.767 20 0 GHADMP [NH3+]C[C@H]([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCCCC1 ZINC000420356957 847137008 /nfs/dbraw/zinc/13/70/08/847137008.db2.gz CZWZJNCPYLWDOH-SIKLNZKXSA-N 2 1 385.577 3.841 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272676489 847143233 /nfs/dbraw/zinc/14/32/33/847143233.db2.gz RAWMFRFDRYPJRU-PGRDOPGGSA-N 2 1 375.520 3.576 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420395131 847158347 /nfs/dbraw/zinc/15/83/47/847158347.db2.gz LACCGNJMTDKKGE-PMVMPFDFSA-N 2 1 399.579 3.603 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420395131 847158358 /nfs/dbraw/zinc/15/83/58/847158358.db2.gz LACCGNJMTDKKGE-PMVMPFDFSA-N 2 1 399.579 3.603 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657429168 847228908 /nfs/dbraw/zinc/22/89/08/847228908.db2.gz GBWXAROLDORPBV-HXUWFJFHSA-N 2 1 384.495 3.613 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657429168 847228917 /nfs/dbraw/zinc/22/89/17/847228917.db2.gz GBWXAROLDORPBV-HXUWFJFHSA-N 2 1 384.495 3.613 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(OC(F)F)ccc2ccccc21 ZINC000582514534 847449101 /nfs/dbraw/zinc/44/91/01/847449101.db2.gz QIWUCQPGVZUZNL-UHFFFAOYSA-N 2 1 377.479 3.511 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(F)c(Br)c3)CC2)CC1 ZINC000420982005 847588064 /nfs/dbraw/zinc/58/80/64/847588064.db2.gz NZPXLRBNEMXFLM-UHFFFAOYSA-N 2 1 398.364 3.580 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(F)c(Br)c3)CC2)CC1 ZINC000420982005 847588075 /nfs/dbraw/zinc/58/80/75/847588075.db2.gz NZPXLRBNEMXFLM-UHFFFAOYSA-N 2 1 398.364 3.580 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000422631213 847741437 /nfs/dbraw/zinc/74/14/37/847741437.db2.gz FGYIORPNDZLFAL-ZRAXVTTISA-N 2 1 385.577 3.649 20 0 GHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783918 847820906 /nfs/dbraw/zinc/82/09/06/847820906.db2.gz LOOGRDLISFCBIK-LADGPHEKSA-N 2 1 377.532 3.628 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cs1 ZINC000422916071 847886450 /nfs/dbraw/zinc/88/64/50/847886450.db2.gz ZSMYDZJWXQRYFR-MJGOQNOKSA-N 3 1 378.630 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423058568 847956854 /nfs/dbraw/zinc/95/68/54/847956854.db2.gz COGOUQWZYUGVPA-OYRHQHFDSA-N 2 1 391.559 3.743 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CC1 ZINC000423058568 847956863 /nfs/dbraw/zinc/95/68/63/847956863.db2.gz COGOUQWZYUGVPA-OYRHQHFDSA-N 2 1 391.559 3.743 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])c2)n1 ZINC000423071423 847962826 /nfs/dbraw/zinc/96/28/26/847962826.db2.gz HUNBHUDZWHFINV-HNAYVOBHSA-N 2 1 395.528 3.645 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000116435625 847993786 /nfs/dbraw/zinc/99/37/86/847993786.db2.gz IZCUFBSTTLXXLH-LJQANCHMSA-N 2 1 395.551 3.717 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](COC)Cc1ccccc1 ZINC001167602847 848098578 /nfs/dbraw/zinc/09/85/78/848098578.db2.gz QRFYAVHMDAZLKN-XMMPIXPASA-N 2 1 382.548 3.598 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](COC)Cc1ccccc1 ZINC001167602847 848098586 /nfs/dbraw/zinc/09/85/86/848098586.db2.gz QRFYAVHMDAZLKN-XMMPIXPASA-N 2 1 382.548 3.598 20 0 GHADMP CC(C)N1CC[C@H]([NH2+]CCCc2c[nH+]cn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000582733681 848207598 /nfs/dbraw/zinc/20/75/98/848207598.db2.gz KWWHFKXPLUDSEH-PMACEKPBSA-N 2 1 378.923 3.959 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccccc4F)o3)cc2)C1 ZINC000657595327 848286708 /nfs/dbraw/zinc/28/67/08/848286708.db2.gz OWQBAQXQWDFSPD-LJQANCHMSA-N 2 1 380.463 3.942 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccccc4)n3)cc2)C1 ZINC000657594974 848287976 /nfs/dbraw/zinc/28/79/76/848287976.db2.gz LYTQHTKRUMQMCB-OAQYLSRUSA-N 2 1 379.529 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccccc4)n3)cc2)C1 ZINC000657594974 848287984 /nfs/dbraw/zinc/28/79/84/848287984.db2.gz LYTQHTKRUMQMCB-OAQYLSRUSA-N 2 1 379.529 3.667 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596120 848291130 /nfs/dbraw/zinc/29/11/30/848291130.db2.gz LFLMREZFJPASKI-HXUWFJFHSA-N 2 1 378.438 3.870 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000582815089 848455883 /nfs/dbraw/zinc/45/58/83/848455883.db2.gz AIXMOUDCAYCVQB-FGZHOGPDSA-N 2 1 388.939 3.774 20 0 GHADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000582815089 848455886 /nfs/dbraw/zinc/45/58/86/848455886.db2.gz AIXMOUDCAYCVQB-FGZHOGPDSA-N 2 1 388.939 3.774 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000431509164 848767836 /nfs/dbraw/zinc/76/78/36/848767836.db2.gz NBSNOXQTPMTNRV-QFIPXVFZSA-N 2 1 383.511 3.553 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000431509164 848767840 /nfs/dbraw/zinc/76/78/40/848767840.db2.gz NBSNOXQTPMTNRV-QFIPXVFZSA-N 2 1 383.511 3.553 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000180104555 861955209 /nfs/dbraw/zinc/95/52/09/861955209.db2.gz MOBAVFQAJMZLGS-ZEQRLZLVSA-N 2 1 391.559 3.933 20 0 GHADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)CC3 ZINC000123342333 849104487 /nfs/dbraw/zinc/10/44/87/849104487.db2.gz IMPNEVJXMBERQM-GOSISDBHSA-N 2 1 385.552 3.513 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000154326230 849241899 /nfs/dbraw/zinc/24/18/99/849241899.db2.gz DMEDDBIUIAMXHB-JBYIUTFZSA-N 2 1 382.552 3.624 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583263673 849467392 /nfs/dbraw/zinc/46/73/92/849467392.db2.gz MUTURFILBCYWHR-YUELXQCFSA-N 2 1 380.414 3.748 20 0 GHADMP COC(=O)C1CCN(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167663713 849495061 /nfs/dbraw/zinc/49/50/61/849495061.db2.gz JEDILGDIFWSFRE-HSZRJFAPSA-N 2 1 380.532 3.787 20 0 GHADMP COC(=O)C1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167663713 849495065 /nfs/dbraw/zinc/49/50/65/849495065.db2.gz JEDILGDIFWSFRE-HSZRJFAPSA-N 2 1 380.532 3.787 20 0 GHADMP COC(=O)C1CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167663713 849495069 /nfs/dbraw/zinc/49/50/69/849495069.db2.gz JEDILGDIFWSFRE-HSZRJFAPSA-N 2 1 380.532 3.787 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3C3CCCCC3)CC2)CC1 ZINC000583279950 849522502 /nfs/dbraw/zinc/52/25/02/849522502.db2.gz WYTNNGOUWWQNCI-QFIPXVFZSA-N 2 1 375.601 3.754 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCc1ccc(F)cc1 ZINC000583321813 849629313 /nfs/dbraw/zinc/62/93/13/849629313.db2.gz GMMLPJQKNQJRQK-BGYRXZFFSA-N 2 1 384.495 3.845 20 0 GHADMP Fc1ccccc1COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657751891 849644684 /nfs/dbraw/zinc/64/46/84/849644684.db2.gz VIEQZVFJFWIJRI-OAQYLSRUSA-N 2 1 384.495 3.748 20 0 GHADMP C[N@H+]1CCN(CCNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CC1(C)C ZINC000899874311 862060196 /nfs/dbraw/zinc/06/01/96/862060196.db2.gz SQKUEISZSCDYMP-UHFFFAOYSA-N 2 1 382.430 3.571 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000126899618 849848877 /nfs/dbraw/zinc/84/88/77/849848877.db2.gz CRWWFUKPORCUOM-SJORKVTESA-N 2 1 392.590 3.714 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000126899618 849848883 /nfs/dbraw/zinc/84/88/83/849848883.db2.gz CRWWFUKPORCUOM-SJORKVTESA-N 2 1 392.590 3.714 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000504038789 849850464 /nfs/dbraw/zinc/85/04/64/849850464.db2.gz YPNOQYDDOPVLJL-UHFFFAOYSA-N 2 1 386.367 3.758 20 0 GHADMP COc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(OC)c1OC ZINC000163015373 849866617 /nfs/dbraw/zinc/86/66/17/849866617.db2.gz XKHJSTLBIKNZBG-UHFFFAOYSA-N 2 1 398.547 3.552 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423324831 849867230 /nfs/dbraw/zinc/86/72/30/849867230.db2.gz IIQQNVMXGFKNOI-YVCBRDFCSA-N 2 1 398.547 3.940 20 0 GHADMP C[C@H]1C[C@@H](C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)CC[NH2+]1 ZINC000414733823 849869099 /nfs/dbraw/zinc/86/90/99/849869099.db2.gz DBCGKZUXRNMXIH-RDJZCZTQSA-N 2 1 381.358 3.818 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)C1 ZINC000414737228 849881535 /nfs/dbraw/zinc/88/15/35/849881535.db2.gz AHKXUWITXYJZDH-HTAPYJJXSA-N 2 1 397.950 3.637 20 0 GHADMP C[C@H](N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423357398 849882741 /nfs/dbraw/zinc/88/27/41/849882741.db2.gz AIHJKLBVBDUECC-IYZVWZADSA-N 2 1 399.529 3.911 20 0 GHADMP CCc1ccc([C@H]2CN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC[NH2+]2)cc1 ZINC000505564556 849886572 /nfs/dbraw/zinc/88/65/72/849886572.db2.gz FKVPHCRTTDHVSB-HSZRJFAPSA-N 2 1 386.499 3.596 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423511573 849961335 /nfs/dbraw/zinc/96/13/35/849961335.db2.gz NPGGNEWPFZMWTG-MDMXATFFSA-N 2 1 398.620 3.909 20 0 GHADMP CCCCOc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1OC ZINC000423521260 849966785 /nfs/dbraw/zinc/96/67/85/849966785.db2.gz SLPPQSGWOJDOLK-KMFTYDHNSA-N 2 1 389.584 3.741 20 0 GHADMP CC(C)(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423744430 850041267 /nfs/dbraw/zinc/04/12/67/850041267.db2.gz LEWAOAZVLMNRNN-HSZRJFAPSA-N 2 1 393.575 3.880 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)CC1 ZINC000668676723 850070659 /nfs/dbraw/zinc/07/06/59/850070659.db2.gz FCVRCXPIRUOCGT-UHFFFAOYSA-N 2 1 396.579 3.740 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)CC1 ZINC000668676723 850070669 /nfs/dbraw/zinc/07/06/69/850070669.db2.gz FCVRCXPIRUOCGT-UHFFFAOYSA-N 2 1 396.579 3.740 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000668676723 850070680 /nfs/dbraw/zinc/07/06/80/850070680.db2.gz FCVRCXPIRUOCGT-UHFFFAOYSA-N 2 1 396.579 3.740 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000668676723 850070690 /nfs/dbraw/zinc/07/06/90/850070690.db2.gz FCVRCXPIRUOCGT-UHFFFAOYSA-N 2 1 396.579 3.740 20 0 GHADMP C[C@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)C[NH+]1CCCCC1 ZINC000518759893 850072603 /nfs/dbraw/zinc/07/26/03/850072603.db2.gz ZRGJSKVJNANGFS-OAHLLOKOSA-N 2 1 379.342 3.937 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896618 850094073 /nfs/dbraw/zinc/09/40/73/850094073.db2.gz GTSLCLSGXRYATE-UPVQGACJSA-N 2 1 391.559 3.575 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1O ZINC000426426731 850111160 /nfs/dbraw/zinc/11/11/60/850111160.db2.gz ZREFJJHUXXNDHZ-OALUTQOASA-N 2 1 398.547 3.732 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1O ZINC000426426731 850111169 /nfs/dbraw/zinc/11/11/69/850111169.db2.gz ZREFJJHUXXNDHZ-OALUTQOASA-N 2 1 398.547 3.732 20 0 GHADMP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486828169 850148759 /nfs/dbraw/zinc/14/87/59/850148759.db2.gz VBJGYBIPDGRIOG-NQIIRXRSSA-N 2 1 380.536 3.780 20 0 GHADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000518849514 850219347 /nfs/dbraw/zinc/21/93/47/850219347.db2.gz KKHNTGNZMHANGU-YLJYHZDGSA-N 2 1 397.950 3.998 20 0 GHADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)C1CC1 ZINC000518849514 850219367 /nfs/dbraw/zinc/21/93/67/850219367.db2.gz KKHNTGNZMHANGU-YLJYHZDGSA-N 2 1 397.950 3.998 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(COc3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424286688 850332255 /nfs/dbraw/zinc/33/22/55/850332255.db2.gz HTTAXPYHZAXIQQ-OAHLLOKOSA-N 2 1 375.513 3.825 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccncc2)c2cccs2)C1 ZINC000424281430 850351607 /nfs/dbraw/zinc/35/16/07/850351607.db2.gz NMPSEEGBAYUVAI-FCHUYYIVSA-N 2 1 393.556 3.783 20 0 GHADMP COC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCCC1 ZINC000514878575 850400483 /nfs/dbraw/zinc/40/04/83/850400483.db2.gz RTWZESWBLYVTAJ-QFIPXVFZSA-N 2 1 386.580 3.854 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000518978813 850447123 /nfs/dbraw/zinc/44/71/23/850447123.db2.gz DPHNKUAEXMMQKF-UNMCSNQZSA-N 2 1 386.584 3.777 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000518978810 850447304 /nfs/dbraw/zinc/44/73/04/850447304.db2.gz DPHNKUAEXMMQKF-IFMALSPDSA-N 2 1 386.584 3.777 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000514937056 850508614 /nfs/dbraw/zinc/50/86/14/850508614.db2.gz FTTIVTRVXXLXHR-HXUWFJFHSA-N 2 1 396.531 3.869 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000514937056 850508622 /nfs/dbraw/zinc/50/86/22/850508622.db2.gz FTTIVTRVXXLXHR-HXUWFJFHSA-N 2 1 396.531 3.869 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000519043115 850545367 /nfs/dbraw/zinc/54/53/67/850545367.db2.gz LNELNXYUOBGAEL-LMMKCTJWSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000519043115 850545374 /nfs/dbraw/zinc/54/53/74/850545374.db2.gz LNELNXYUOBGAEL-LMMKCTJWSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000519043115 850545382 /nfs/dbraw/zinc/54/53/82/850545382.db2.gz LNELNXYUOBGAEL-LMMKCTJWSA-N 2 1 380.602 3.551 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)CC1 ZINC000505132847 850634621 /nfs/dbraw/zinc/63/46/21/850634621.db2.gz FHGQLUVWWDWEKH-VNXZQDSDSA-N 2 1 383.580 3.810 20 0 GHADMP CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435622598 850706872 /nfs/dbraw/zinc/70/68/72/850706872.db2.gz DRPSSTANPCRWBX-WMZHIEFXSA-N 2 1 397.588 3.686 20 0 GHADMP CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435622598 850706879 /nfs/dbraw/zinc/70/68/79/850706879.db2.gz DRPSSTANPCRWBX-WMZHIEFXSA-N 2 1 397.588 3.686 20 0 GHADMP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1OC ZINC000519201260 850753003 /nfs/dbraw/zinc/75/30/03/850753003.db2.gz DLJGBCSGQIIBPX-FGTMMUONSA-N 2 1 391.556 3.616 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCO1 ZINC000668785437 850765344 /nfs/dbraw/zinc/76/53/44/850765344.db2.gz QDJWIUQFPIAKTN-GOSISDBHSA-N 2 1 396.457 3.638 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCO1 ZINC000668785437 850765349 /nfs/dbraw/zinc/76/53/49/850765349.db2.gz QDJWIUQFPIAKTN-GOSISDBHSA-N 2 1 396.457 3.638 20 0 GHADMP C[C@@H](NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435697809 850779007 /nfs/dbraw/zinc/77/90/07/850779007.db2.gz ZHFPTRRSNCCUEZ-YLJYHZDGSA-N 2 1 383.561 3.570 20 0 GHADMP C[C@@H](NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435697809 850779014 /nfs/dbraw/zinc/77/90/14/850779014.db2.gz ZHFPTRRSNCCUEZ-YLJYHZDGSA-N 2 1 383.561 3.570 20 0 GHADMP c1cc(C[N@H+](CCc2nc(-c3ccccc3)no2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435697526 850779123 /nfs/dbraw/zinc/77/91/23/850779123.db2.gz YPDQJCWZDHNPNE-IBGZPJMESA-N 2 1 394.544 3.985 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cscc3C(F)(F)F)CC2)CC1 ZINC000515259297 850836040 /nfs/dbraw/zinc/83/60/40/850836040.db2.gz BEROJKCYTUZVFX-UHFFFAOYSA-N 2 1 375.504 3.616 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000667944808 862177320 /nfs/dbraw/zinc/17/73/20/862177320.db2.gz FDLBHXWAULLGJQ-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000513913051 851016289 /nfs/dbraw/zinc/01/62/89/851016289.db2.gz KZHWDACAOBWMQQ-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000515460910 851050118 /nfs/dbraw/zinc/05/01/18/851050118.db2.gz UVTOCLPJQOWDNI-WEYGHZABSA-N 2 1 395.551 3.805 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCc4c(C)cc(C)cc43)CC2)CC1 ZINC000515496957 851086003 /nfs/dbraw/zinc/08/60/03/851086003.db2.gz LLQXFOOGUHSALV-UHFFFAOYSA-N 2 1 383.580 3.779 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000514031987 851145216 /nfs/dbraw/zinc/14/52/16/851145216.db2.gz AKZKMNRXDCVCEN-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000514023594 851157877 /nfs/dbraw/zinc/15/78/77/851157877.db2.gz ZWCWIGZRMQQWJM-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000514126897 851265999 /nfs/dbraw/zinc/26/59/99/851265999.db2.gz NGZBYBSHKLOFEM-VWPQPMDRSA-N 2 1 388.600 3.655 20 0 GHADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488311530 851384810 /nfs/dbraw/zinc/38/48/10/851384810.db2.gz MJALQUGGGFWHNJ-UHFFFAOYSA-N 2 1 398.378 3.760 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc4ccc(F)cc4[nH]3)CC2)CC1 ZINC000488352384 851420335 /nfs/dbraw/zinc/42/03/35/851420335.db2.gz IISGFXTXJLARDH-UHFFFAOYSA-N 2 1 386.559 3.935 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488352384 851420344 /nfs/dbraw/zinc/42/03/44/851420344.db2.gz IISGFXTXJLARDH-UHFFFAOYSA-N 3 1 386.559 3.935 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2ccc(F)cc2[nH]1 ZINC000488352384 851420353 /nfs/dbraw/zinc/42/03/53/851420353.db2.gz IISGFXTXJLARDH-UHFFFAOYSA-N 3 1 386.559 3.935 20 0 GHADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550079947 851423952 /nfs/dbraw/zinc/42/39/52/851423952.db2.gz OTGLATUCRFMFIB-DENIHFKCSA-N 2 1 388.552 3.511 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1)N1CCCC1 ZINC000436295112 851430996 /nfs/dbraw/zinc/43/09/96/851430996.db2.gz RBBUTDWNGGWJCU-GNADVCDUSA-N 2 1 395.591 3.668 20 0 GHADMP O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1c1ccccc1 ZINC000434671012 851460553 /nfs/dbraw/zinc/46/05/53/851460553.db2.gz FXGBNQPKULUPGX-OAQYLSRUSA-N 2 1 378.520 3.594 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000519552320 851525336 /nfs/dbraw/zinc/52/53/36/851525336.db2.gz ZPRZCCCFZAWJCJ-RZUBCFFCSA-N 2 1 387.474 3.695 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000519552320 851525339 /nfs/dbraw/zinc/52/53/39/851525339.db2.gz ZPRZCCCFZAWJCJ-RZUBCFFCSA-N 2 1 387.474 3.695 20 0 GHADMP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241514 851579307 /nfs/dbraw/zinc/57/93/07/851579307.db2.gz SQFJRDNGJONWIN-MRXNPFEDSA-N 2 1 397.485 3.643 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000488532329 851589013 /nfs/dbraw/zinc/58/90/13/851589013.db2.gz NCIOGQUPCWLJFZ-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP Cc1ccc(C2CC([NH2+]Cc3cccc(C[N@H+]4CCC[C@@H](C(N)=O)C4)c3)C2)cc1 ZINC000180642116 862263185 /nfs/dbraw/zinc/26/31/85/862263185.db2.gz XMNCGCDLHMYWSL-ZKMFCFPVSA-N 2 1 391.559 3.728 20 0 GHADMP Fc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1F ZINC001167973113 851636062 /nfs/dbraw/zinc/63/60/62/851636062.db2.gz GZHAIDRCYCYRTK-SEJPIABJSA-N 2 1 389.534 3.924 20 0 GHADMP O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101547062 851669336 /nfs/dbraw/zinc/66/93/36/851669336.db2.gz GKVOJBROAKTGDN-OAQYLSRUSA-N 2 1 395.572 3.663 20 0 GHADMP F[C@H]1CC2(CC[C@H]1[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCCO2 ZINC000894600907 851757716 /nfs/dbraw/zinc/75/77/16/851757716.db2.gz NOIVCWCVUJZWOS-LEWJYISDSA-N 2 1 388.527 3.608 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H]2CCNC(=O)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835729 851792973 /nfs/dbraw/zinc/79/29/73/851792973.db2.gz GNTIXCDWUWUZGJ-NZQKXSOJSA-N 2 1 383.580 3.525 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000101792465 851915630 /nfs/dbraw/zinc/91/56/30/851915630.db2.gz WJZFLGWTFBLVSN-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000101792465 851915636 /nfs/dbraw/zinc/91/56/36/851915636.db2.gz WJZFLGWTFBLVSN-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000101792465 851915641 /nfs/dbraw/zinc/91/56/41/851915641.db2.gz WJZFLGWTFBLVSN-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000101779210 851916692 /nfs/dbraw/zinc/91/66/92/851916692.db2.gz AYAXOQYCRJZXJV-QHCPKHFHSA-N 2 1 398.595 3.699 20 0 GHADMP c1cc(OCC2CCOCC2)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167978533 851945926 /nfs/dbraw/zinc/94/59/26/851945926.db2.gz OLMDIHPHCIZWRA-NOTZXAQLSA-N 2 1 384.564 3.987 20 0 GHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167981890 852019559 /nfs/dbraw/zinc/01/95/59/852019559.db2.gz ODTMJEYYGNISRF-NXEWRWPSSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000517539920 852069301 /nfs/dbraw/zinc/06/93/01/852069301.db2.gz HVJHUGSFKITDLB-CTNGQTDRSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000517539920 852069303 /nfs/dbraw/zinc/06/93/03/852069303.db2.gz HVJHUGSFKITDLB-CTNGQTDRSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000517539920 852069310 /nfs/dbraw/zinc/06/93/10/852069310.db2.gz HVJHUGSFKITDLB-CTNGQTDRSA-N 2 1 386.584 3.776 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982858 852132182 /nfs/dbraw/zinc/13/21/82/852132182.db2.gz CSWBAWKVLVICHS-WRURNZQNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982858 852132187 /nfs/dbraw/zinc/13/21/87/852132187.db2.gz CSWBAWKVLVICHS-WRURNZQNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982858 852132190 /nfs/dbraw/zinc/13/21/90/852132190.db2.gz CSWBAWKVLVICHS-WRURNZQNSA-N 2 1 377.573 3.771 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438343012 852291488 /nfs/dbraw/zinc/29/14/88/852291488.db2.gz AKGQXXVALDQSOU-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489438944 852342397 /nfs/dbraw/zinc/34/23/97/852342397.db2.gz HVGGFGVIDILYFF-IFMALSPDSA-N 2 1 388.600 3.705 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000489857269 852611380 /nfs/dbraw/zinc/61/13/80/852611380.db2.gz QRQCMYFOPSBINV-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000489857269 852611384 /nfs/dbraw/zinc/61/13/84/852611384.db2.gz QRQCMYFOPSBINV-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000489857269 852611387 /nfs/dbraw/zinc/61/13/87/852611387.db2.gz QRQCMYFOPSBINV-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000489861321 852614841 /nfs/dbraw/zinc/61/48/41/852614841.db2.gz VIFWCJYOMDLADD-YJBOKZPZSA-N 2 1 384.351 3.860 20 0 GHADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000489861321 852614845 /nfs/dbraw/zinc/61/48/45/852614845.db2.gz VIFWCJYOMDLADD-YJBOKZPZSA-N 2 1 384.351 3.860 20 0 GHADMP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000489901799 852635407 /nfs/dbraw/zinc/63/54/07/852635407.db2.gz XUNVOULHCZSKEO-UXHICEINSA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)c1ccccc1 ZINC000489903883 852636090 /nfs/dbraw/zinc/63/60/90/852636090.db2.gz HSUCNMKHCHHNTL-RXVVDRJESA-N 2 1 385.577 3.769 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000489903883 852636097 /nfs/dbraw/zinc/63/60/97/852636097.db2.gz HSUCNMKHCHHNTL-RXVVDRJESA-N 2 1 385.577 3.769 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000489903883 852636105 /nfs/dbraw/zinc/63/61/05/852636105.db2.gz HSUCNMKHCHHNTL-RXVVDRJESA-N 2 1 385.577 3.769 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000506338986 852797550 /nfs/dbraw/zinc/79/75/50/852797550.db2.gz BRFVLHRCKFYLKA-DEOSSOPVSA-N 2 1 379.548 3.791 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000506338986 852797559 /nfs/dbraw/zinc/79/75/59/852797559.db2.gz BRFVLHRCKFYLKA-DEOSSOPVSA-N 2 1 379.548 3.791 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000518184064 853048474 /nfs/dbraw/zinc/04/84/74/853048474.db2.gz XZNYQWMOKBZPCC-IBGZPJMESA-N 2 1 380.488 3.581 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCOc3ccc4c(c3)OCO4)CC23CC3)cc1 ZINC000518184064 853048479 /nfs/dbraw/zinc/04/84/79/853048479.db2.gz XZNYQWMOKBZPCC-IBGZPJMESA-N 2 1 380.488 3.581 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnnn3Cc3ccccc3)cc2)C1 ZINC000490555768 853089951 /nfs/dbraw/zinc/08/99/51/853089951.db2.gz MYWVBYTZPPIPID-FQEVSTJZSA-N 2 1 389.547 3.848 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490577971 853101916 /nfs/dbraw/zinc/10/19/16/853101916.db2.gz IITOSBKRGJUWHC-UHFFFAOYSA-N 2 1 389.547 3.848 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000518297315 853173807 /nfs/dbraw/zinc/17/38/07/853173807.db2.gz OMCWWNIDFLJFPV-NRFANRHFSA-N 2 1 378.605 3.595 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H](C)N1CCc2sccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000516939609 853180685 /nfs/dbraw/zinc/18/06/85/853180685.db2.gz HKVBBWIIFCRDKF-XLIONFOSSA-N 2 1 385.577 3.522 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490701224 853201847 /nfs/dbraw/zinc/20/18/47/853201847.db2.gz RSNWIDHCIYXHJH-DBVUQKKJSA-N 2 1 394.401 3.858 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490701224 853201852 /nfs/dbraw/zinc/20/18/52/853201852.db2.gz RSNWIDHCIYXHJH-DBVUQKKJSA-N 2 1 394.401 3.858 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000506475548 853232141 /nfs/dbraw/zinc/23/21/41/853232141.db2.gz XYJMDRJOIOYXLL-ACIOBRDBSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000506475548 853232146 /nfs/dbraw/zinc/23/21/46/853232146.db2.gz XYJMDRJOIOYXLL-ACIOBRDBSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1C ZINC000506475548 853232159 /nfs/dbraw/zinc/23/21/59/853232159.db2.gz XYJMDRJOIOYXLL-ACIOBRDBSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1C ZINC000506475548 853232173 /nfs/dbraw/zinc/23/21/73/853232173.db2.gz XYJMDRJOIOYXLL-ACIOBRDBSA-N 2 1 388.596 3.938 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000031006683 862443099 /nfs/dbraw/zinc/44/30/99/862443099.db2.gz KDTSQNRANQTZMM-GOSISDBHSA-N 2 1 399.966 3.941 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000031006683 862443103 /nfs/dbraw/zinc/44/31/03/862443103.db2.gz KDTSQNRANQTZMM-GOSISDBHSA-N 2 1 399.966 3.941 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823710 853277522 /nfs/dbraw/zinc/27/75/22/853277522.db2.gz IQJRXVYEDWRLFJ-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823710 853277528 /nfs/dbraw/zinc/27/75/28/853277528.db2.gz IQJRXVYEDWRLFJ-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823710 853277531 /nfs/dbraw/zinc/27/75/31/853277531.db2.gz IQJRXVYEDWRLFJ-VJBMBRPKSA-N 2 1 379.548 3.706 20 0 GHADMP CCN(C(=O)NCc1c[nH+]c2n1CCCC2)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517049389 853306443 /nfs/dbraw/zinc/30/64/43/853306443.db2.gz KXNSEVYOGVUYKI-AZUAARDMSA-N 2 1 395.551 3.586 20 0 GHADMP CCN(C(=O)NCc1c[nH+]c2n1CCCC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000517049389 853306454 /nfs/dbraw/zinc/30/64/54/853306454.db2.gz KXNSEVYOGVUYKI-AZUAARDMSA-N 2 1 395.551 3.586 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437632525 853339737 /nfs/dbraw/zinc/33/97/37/853339737.db2.gz BEXGLFMZWIEQJD-TZIWHRDSSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437632525 853339744 /nfs/dbraw/zinc/33/97/44/853339744.db2.gz BEXGLFMZWIEQJD-TZIWHRDSSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437632525 853339752 /nfs/dbraw/zinc/33/97/52/853339752.db2.gz BEXGLFMZWIEQJD-TZIWHRDSSA-N 2 1 378.605 3.595 20 0 GHADMP Cc1c2cc(F)ccc2sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000518467117 853380933 /nfs/dbraw/zinc/38/09/33/853380933.db2.gz IPQAHCLEIGYKPC-UHFFFAOYSA-N 2 1 384.480 3.748 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000426303336 853395326 /nfs/dbraw/zinc/39/53/26/853395326.db2.gz MKUSBTFYHTUQIP-ACIOBRDBSA-N 2 1 387.527 3.539 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491017256 853398536 /nfs/dbraw/zinc/39/85/36/853398536.db2.gz CRSWZQHEEOBEEF-HYBUGGRVSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491017256 853398545 /nfs/dbraw/zinc/39/85/45/853398545.db2.gz CRSWZQHEEOBEEF-HYBUGGRVSA-N 2 1 379.548 3.937 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000439196804 853409961 /nfs/dbraw/zinc/40/99/61/853409961.db2.gz HEBRWDPHBKVBFT-PTUXOGIPSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000439196804 853409970 /nfs/dbraw/zinc/40/99/70/853409970.db2.gz HEBRWDPHBKVBFT-PTUXOGIPSA-N 2 1 398.595 3.829 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000439196804 853409980 /nfs/dbraw/zinc/40/99/80/853409980.db2.gz HEBRWDPHBKVBFT-PTUXOGIPSA-N 2 1 398.595 3.829 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000439199778 853414394 /nfs/dbraw/zinc/41/43/94/853414394.db2.gz NRCBTOAOJKVTTH-PMOQBDJRSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000439199778 853414405 /nfs/dbraw/zinc/41/44/05/853414405.db2.gz NRCBTOAOJKVTTH-PMOQBDJRSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000439199778 853414414 /nfs/dbraw/zinc/41/44/14/853414414.db2.gz NRCBTOAOJKVTTH-PMOQBDJRSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000623862422 862463360 /nfs/dbraw/zinc/46/33/60/862463360.db2.gz SUWPZCDPTBXLDQ-OAHLLOKOSA-N 2 1 375.454 3.913 20 0 GHADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)c2cc1C ZINC000491059814 853431379 /nfs/dbraw/zinc/43/13/79/853431379.db2.gz JIJPCNXVZOGZRC-VXKWHMMOSA-N 2 1 398.595 3.602 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518507881 853441899 /nfs/dbraw/zinc/44/18/99/853441899.db2.gz NBUZZYZZOFPFNB-UWXQAFAOSA-N 2 1 394.559 3.907 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000518516439 853453496 /nfs/dbraw/zinc/45/34/96/853453496.db2.gz CJTRURJMSCNQJH-WMZHIEFXSA-N 2 1 377.532 3.848 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c2ccccc2)CC1 ZINC000518531070 853457340 /nfs/dbraw/zinc/45/73/40/853457340.db2.gz GVXKRKTVGDRXKV-GGAORHGYSA-N 2 1 398.595 3.776 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)C ZINC000491152367 853473003 /nfs/dbraw/zinc/47/30/03/853473003.db2.gz ZFBRBOGJQLUWFU-LZNRXBQRSA-N 2 1 386.584 3.502 20 0 GHADMP COc1cc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)ccc1OC1CCCC1 ZINC000425903331 853545598 /nfs/dbraw/zinc/54/55/98/853545598.db2.gz VULXZJIXRIHUBK-UHFFFAOYSA-N 2 1 385.508 3.761 20 0 GHADMP C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(C[NH+]4CCCCC4)cc3)n1)OC2 ZINC000570970341 853669094 /nfs/dbraw/zinc/66/90/94/853669094.db2.gz AZGLNFYOMGSPOB-DENIHFKCSA-N 2 1 382.508 3.648 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000156603677 853897435 /nfs/dbraw/zinc/89/74/35/853897435.db2.gz NZCFPQSTCNZSKW-YNIZLOQISA-N 2 1 397.604 3.549 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000073895195 853963665 /nfs/dbraw/zinc/96/36/65/853963665.db2.gz QKEZKJYJXPAFJB-INIZCTEOSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000073895195 853963667 /nfs/dbraw/zinc/96/36/67/853963667.db2.gz QKEZKJYJXPAFJB-INIZCTEOSA-N 2 1 375.340 3.538 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000441369608 854152423 /nfs/dbraw/zinc/15/24/23/854152423.db2.gz FCYWNGAYIWSVRA-CABCVRRESA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000441369608 854152427 /nfs/dbraw/zinc/15/24/27/854152427.db2.gz FCYWNGAYIWSVRA-CABCVRRESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000441369608 854152431 /nfs/dbraw/zinc/15/24/31/854152431.db2.gz FCYWNGAYIWSVRA-CABCVRRESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000441369608 854152438 /nfs/dbraw/zinc/15/24/38/854152438.db2.gz FCYWNGAYIWSVRA-CABCVRRESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1F ZINC000571819767 854169365 /nfs/dbraw/zinc/16/93/65/854169365.db2.gz JTOYDXDMFQBSQV-LJQANCHMSA-N 2 1 393.890 3.661 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441411420 854190401 /nfs/dbraw/zinc/19/04/01/854190401.db2.gz NFIWQWJGVQCTTG-KXBFYZLASA-N 2 1 384.442 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441411420 854190404 /nfs/dbraw/zinc/19/04/04/854190404.db2.gz NFIWQWJGVQCTTG-KXBFYZLASA-N 2 1 384.442 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441411420 854190408 /nfs/dbraw/zinc/19/04/08/854190408.db2.gz NFIWQWJGVQCTTG-KXBFYZLASA-N 2 1 384.442 3.913 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)C[C@H](C)O1 ZINC000588711316 854369582 /nfs/dbraw/zinc/36/95/82/854369582.db2.gz NRPYODDWZCHDBB-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994984 854429853 /nfs/dbraw/zinc/42/98/53/854429853.db2.gz SGONKCUYJIHJKI-GURQWTFNSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994984 854429858 /nfs/dbraw/zinc/42/98/58/854429858.db2.gz SGONKCUYJIHJKI-GURQWTFNSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994984 854429862 /nfs/dbraw/zinc/42/98/62/854429862.db2.gz SGONKCUYJIHJKI-GURQWTFNSA-N 2 1 377.573 3.629 20 0 GHADMP COc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1SC ZINC000068821704 854628692 /nfs/dbraw/zinc/62/86/92/854628692.db2.gz LARDGYITHRWHLO-CALCHBBNSA-N 2 1 378.582 3.738 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000072884084 854731029 /nfs/dbraw/zinc/73/10/29/854731029.db2.gz RVQHMABDBBMVKY-NRFANRHFSA-N 2 1 382.552 3.596 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000072884084 854731035 /nfs/dbraw/zinc/73/10/35/854731035.db2.gz RVQHMABDBBMVKY-NRFANRHFSA-N 2 1 382.552 3.596 20 0 GHADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000572786864 854989175 /nfs/dbraw/zinc/98/91/75/854989175.db2.gz UBIGKTSNRMXEOQ-ODGPQVTHSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000572786864 854989180 /nfs/dbraw/zinc/98/91/80/854989180.db2.gz UBIGKTSNRMXEOQ-ODGPQVTHSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000572786864 854989185 /nfs/dbraw/zinc/98/91/85/854989185.db2.gz UBIGKTSNRMXEOQ-ODGPQVTHSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000572786864 854989189 /nfs/dbraw/zinc/98/91/89/854989189.db2.gz UBIGKTSNRMXEOQ-ODGPQVTHSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000572786864 854989195 /nfs/dbraw/zinc/98/91/95/854989195.db2.gz UBIGKTSNRMXEOQ-ODGPQVTHSA-N 2 1 385.596 3.520 20 0 GHADMP CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999378 855219833 /nfs/dbraw/zinc/21/98/33/855219833.db2.gz DHTJOYKVAQIMED-UHFFFAOYSA-N 2 1 391.462 3.810 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999378 855219838 /nfs/dbraw/zinc/21/98/38/855219838.db2.gz DHTJOYKVAQIMED-UHFFFAOYSA-N 2 1 391.462 3.810 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000590006355 855223015 /nfs/dbraw/zinc/22/30/15/855223015.db2.gz UEHXRKFBMADEBA-XZOQPEGZSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000590006355 855223023 /nfs/dbraw/zinc/22/30/23/855223023.db2.gz UEHXRKFBMADEBA-XZOQPEGZSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C)c1ccccc1 ZINC000590394947 855388160 /nfs/dbraw/zinc/38/81/60/855388160.db2.gz JHUYZFAFKHSZPR-HSZRJFAPSA-N 2 1 394.563 3.768 20 0 GHADMP CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168001750 855494525 /nfs/dbraw/zinc/49/45/25/855494525.db2.gz HDCNTDSAGRGTMH-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP CC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168001750 855494529 /nfs/dbraw/zinc/49/45/29/855494529.db2.gz HDCNTDSAGRGTMH-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP CC[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168001750 855494533 /nfs/dbraw/zinc/49/45/33/855494533.db2.gz HDCNTDSAGRGTMH-CBQMWWCCSA-N 2 1 391.600 3.971 20 0 GHADMP CC1(C)[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@]12c1ccccc1OC2=O ZINC001168001788 855507791 /nfs/dbraw/zinc/50/77/91/855507791.db2.gz HRYZDLNLIOSPRH-WIWXZXLPSA-N 2 1 380.532 3.733 20 0 GHADMP CC1(C)[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@]12c1ccccc1OC2=O ZINC001168001788 855507800 /nfs/dbraw/zinc/50/78/00/855507800.db2.gz HRYZDLNLIOSPRH-WIWXZXLPSA-N 2 1 380.532 3.733 20 0 GHADMP CC1(C)[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@]12c1ccccc1OC2=O ZINC001168001788 855507808 /nfs/dbraw/zinc/50/78/08/855507808.db2.gz HRYZDLNLIOSPRH-WIWXZXLPSA-N 2 1 380.532 3.733 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000542707869 855509098 /nfs/dbraw/zinc/50/90/98/855509098.db2.gz MYNPBOPHRHZSRM-HLRQEUIKSA-N 2 1 378.532 3.772 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC000465695267 855610273 /nfs/dbraw/zinc/61/02/73/855610273.db2.gz SUDMJYLGJHEDSB-FQEVSTJZSA-N 2 1 398.551 3.504 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC(C)C)c1cccs1 ZINC000465707819 855636552 /nfs/dbraw/zinc/63/65/52/855636552.db2.gz APSIRRWAFKONAI-RBUKOAKNSA-N 2 1 394.629 3.893 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000057887935 855769183 /nfs/dbraw/zinc/76/91/83/855769183.db2.gz CZXCJTLZQCGZGX-IBGZPJMESA-N 2 1 394.563 3.784 20 0 GHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Br ZINC000482139385 862725877 /nfs/dbraw/zinc/72/58/77/862725877.db2.gz DCNYEVURSOMOKL-NVXWUHKLSA-N 2 1 396.373 3.878 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+](C)C3CCCC3)cc2)CC1 ZINC000591405549 855985065 /nfs/dbraw/zinc/98/50/65/855985065.db2.gz BRRIQFDBPDKDLJ-UHFFFAOYSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000591458719 856000804 /nfs/dbraw/zinc/00/08/04/856000804.db2.gz OPWILQVAWYSKPC-ISKFKSNPSA-N 2 1 393.575 3.750 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(-n2cnnn2)c1 ZINC000156181085 856087478 /nfs/dbraw/zinc/08/74/78/856087478.db2.gz CUFKEDPYJYIEMC-OALUTQOASA-N 2 1 390.535 3.888 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000591539850 856096581 /nfs/dbraw/zinc/09/65/81/856096581.db2.gz BFZNFGVDBURAHY-HXUWFJFHSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000031231017 856153584 /nfs/dbraw/zinc/15/35/84/856153584.db2.gz DHRAQBIIOSLTIX-QZTJIDSGSA-N 2 1 381.520 3.610 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3C3CC3)c2)C1 ZINC000674334538 856178166 /nfs/dbraw/zinc/17/81/66/856178166.db2.gz UPWDWDPQUYPXDJ-JOCHJYFZSA-N 2 1 377.532 3.551 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000591716966 856210207 /nfs/dbraw/zinc/21/02/07/856210207.db2.gz CESZBTAVQOQBAZ-UHFFFAOYSA-N 2 1 378.973 3.581 20 0 GHADMP Cc1cccc(CNC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000536486406 856221178 /nfs/dbraw/zinc/22/11/78/856221178.db2.gz WOBNTDXKTBJVHB-UHFFFAOYSA-N 2 1 391.559 3.599 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168569239 856227080 /nfs/dbraw/zinc/22/70/80/856227080.db2.gz CQLSXPKYFSENTB-JKSUJKDBSA-N 2 1 395.510 3.981 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000573604059 856309686 /nfs/dbraw/zinc/30/96/86/856309686.db2.gz ITRMNKSEZIDXBZ-KKTRPPJXSA-N 2 1 379.495 3.512 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000573604059 856309699 /nfs/dbraw/zinc/30/96/99/856309699.db2.gz ITRMNKSEZIDXBZ-KKTRPPJXSA-N 2 1 379.495 3.512 20 0 GHADMP CCCN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000195426184 856398445 /nfs/dbraw/zinc/39/84/45/856398445.db2.gz UILCQIULNVASHJ-QHCPKHFHSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000172518842 856464802 /nfs/dbraw/zinc/46/48/02/856464802.db2.gz PTWFNWRYZSRLON-PXNSSMCTSA-N 2 1 392.975 3.603 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000485428255 856489544 /nfs/dbraw/zinc/48/95/44/856489544.db2.gz ZWEKPSRLDDMCDP-MRXNPFEDSA-N 2 1 383.458 3.698 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000485428255 856489547 /nfs/dbraw/zinc/48/95/47/856489547.db2.gz ZWEKPSRLDDMCDP-MRXNPFEDSA-N 2 1 383.458 3.698 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000485428255 856489555 /nfs/dbraw/zinc/48/95/55/856489555.db2.gz ZWEKPSRLDDMCDP-MRXNPFEDSA-N 2 1 383.458 3.698 20 0 GHADMP COc1ccc([C@@H]2C[C@H](N(c3cc(C)[nH+]c(C)n3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168676467 856590588 /nfs/dbraw/zinc/59/05/88/856590588.db2.gz NHDDXNYERCSHJO-IRLDBZIGSA-N 2 1 396.535 3.581 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919966 856617078 /nfs/dbraw/zinc/61/70/78/856617078.db2.gz BVCNBKQWPXKHND-LEWJYISDSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919966 856617153 /nfs/dbraw/zinc/61/71/53/856617153.db2.gz BVCNBKQWPXKHND-LEWJYISDSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919966 856617215 /nfs/dbraw/zinc/61/72/15/856617215.db2.gz BVCNBKQWPXKHND-LEWJYISDSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919966 856617282 /nfs/dbraw/zinc/61/72/82/856617282.db2.gz BVCNBKQWPXKHND-LEWJYISDSA-N 2 1 383.580 3.797 20 0 GHADMP COC(=O)c1cccc(OCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000542886709 856661636 /nfs/dbraw/zinc/66/16/36/856661636.db2.gz KTDOPVAUDRQVQM-MRXNPFEDSA-N 2 1 379.460 3.697 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)Cc2ccccc2C)cc1 ZINC000542887096 856669531 /nfs/dbraw/zinc/66/95/31/856669531.db2.gz WDGONGROYDWSNG-MOPGFXCFSA-N 2 1 390.531 3.887 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000674040586 862825351 /nfs/dbraw/zinc/82/53/51/862825351.db2.gz KVYYNUIUMIMPIY-HXUWFJFHSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000110970680 856720529 /nfs/dbraw/zinc/72/05/29/856720529.db2.gz RRENYKCYPXZIPJ-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000110970680 856720536 /nfs/dbraw/zinc/72/05/36/856720536.db2.gz RRENYKCYPXZIPJ-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000110970680 856720540 /nfs/dbraw/zinc/72/05/40/856720540.db2.gz RRENYKCYPXZIPJ-JTHBVZDNSA-N 2 1 379.548 3.708 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C(C)(C)[C@H]21 ZINC000693678421 856789594 /nfs/dbraw/zinc/78/95/94/856789594.db2.gz MQGVJMOBRJVKBP-LFDJNIOPSA-N 2 1 377.573 3.627 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](CCc2cccs2)CC1 ZINC000508165569 856997411 /nfs/dbraw/zinc/99/74/11/856997411.db2.gz XOWGBGPFMQYXKV-UHFFFAOYSA-N 2 1 397.588 3.735 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000465927239 857027503 /nfs/dbraw/zinc/02/75/03/857027503.db2.gz QNVOFIVRICNNGY-GHTZIAJQSA-N 2 1 386.584 3.680 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000520792941 857054510 /nfs/dbraw/zinc/05/45/10/857054510.db2.gz JFSXOXGPCDCATB-GOSISDBHSA-N 2 1 377.548 3.617 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000429246314 857177276 /nfs/dbraw/zinc/17/72/76/857177276.db2.gz NTBLFTNCZNPODV-IBGZPJMESA-N 2 1 396.579 3.914 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000429246314 857177279 /nfs/dbraw/zinc/17/72/79/857177279.db2.gz NTBLFTNCZNPODV-IBGZPJMESA-N 2 1 396.579 3.914 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766109792 857185397 /nfs/dbraw/zinc/18/53/97/857185397.db2.gz RHGGCPAWYGDFHY-DHIUTWEWSA-N 2 1 383.580 3.766 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766109793 857185597 /nfs/dbraw/zinc/18/55/97/857185597.db2.gz RHGGCPAWYGDFHY-GOTSBHOMSA-N 2 1 383.580 3.766 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000703532902 857195705 /nfs/dbraw/zinc/19/57/05/857195705.db2.gz CKRYSBYKUPAECF-FQEVSTJZSA-N 2 1 387.568 3.793 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000574102913 857246685 /nfs/dbraw/zinc/24/66/85/857246685.db2.gz UWDHNMSFHPEZST-LKDDOFHYSA-N 2 1 391.559 3.666 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CC2)[nH+]c1 ZINC000593129793 857354316 /nfs/dbraw/zinc/35/43/16/857354316.db2.gz OVHOWMSMOKCIBS-UHFFFAOYSA-N 2 1 396.535 3.576 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N(CC[NH+]3CCCCCC3)C(C)C)CC2)[nH+]c1 ZINC000672491582 857401682 /nfs/dbraw/zinc/40/16/82/857401682.db2.gz NWMCGZIVWKQTLW-UHFFFAOYSA-N 2 1 386.584 3.719 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000675713535 857574975 /nfs/dbraw/zinc/57/49/75/857574975.db2.gz CAZWRYKAFCWDGM-FPOVZHCZSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407687 857615183 /nfs/dbraw/zinc/61/51/83/857615183.db2.gz XNASTQMBHSIYBG-IBGZPJMESA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665276973 857632228 /nfs/dbraw/zinc/63/22/28/857632228.db2.gz QLOHCXJZWMCJDK-NKKJXINNSA-N 2 1 377.576 3.837 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000063914711 857672940 /nfs/dbraw/zinc/67/29/40/857672940.db2.gz WLKXRSGPBMPZMI-UHFFFAOYSA-N 2 1 395.522 3.770 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000063914711 857672945 /nfs/dbraw/zinc/67/29/45/857672945.db2.gz WLKXRSGPBMPZMI-UHFFFAOYSA-N 2 1 395.522 3.770 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000521174177 857704907 /nfs/dbraw/zinc/70/49/07/857704907.db2.gz VJJXHBGPNAVVQB-TXTKFYIRSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000521174177 857704912 /nfs/dbraw/zinc/70/49/12/857704912.db2.gz VJJXHBGPNAVVQB-TXTKFYIRSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000521174177 857704919 /nfs/dbraw/zinc/70/49/19/857704919.db2.gz VJJXHBGPNAVVQB-TXTKFYIRSA-N 2 1 394.563 3.642 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)[NH+](C)C)cc1 ZINC000521510571 858063592 /nfs/dbraw/zinc/06/35/92/858063592.db2.gz BDFOQOYBCZFIBF-HSZRJFAPSA-N 2 1 396.579 3.937 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1(C)C ZINC000442868137 858185204 /nfs/dbraw/zinc/18/52/04/858185204.db2.gz MXXBHOAPOFNZJL-SFHVURJKSA-N 2 1 398.364 3.655 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000543072584 858186028 /nfs/dbraw/zinc/18/60/28/858186028.db2.gz MMZRZPUKLHRAFV-OYRHEFFESA-N 3 1 387.612 3.658 20 0 GHADMP CC(C)N1CCC([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000543072584 858186032 /nfs/dbraw/zinc/18/60/32/858186032.db2.gz MMZRZPUKLHRAFV-OYRHEFFESA-N 2 1 387.612 3.658 20 0 GHADMP CC(C)N1CCC([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000543072584 858186035 /nfs/dbraw/zinc/18/60/35/858186035.db2.gz MMZRZPUKLHRAFV-OYRHEFFESA-N 2 1 387.612 3.658 20 0 GHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CCC2 ZINC000594507606 858196994 /nfs/dbraw/zinc/19/69/94/858196994.db2.gz OCQBVEIFLDLBML-AKIFATBCSA-N 2 1 378.516 3.786 20 0 GHADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876655 858198641 /nfs/dbraw/zinc/19/86/41/858198641.db2.gz QAMKXPMRFFUQGN-LJQANCHMSA-N 2 1 396.417 3.776 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1(C)C ZINC000442891775 858213070 /nfs/dbraw/zinc/21/30/70/858213070.db2.gz SJTHBQCPRNYEBI-SFHVURJKSA-N 2 1 380.374 3.516 20 0 GHADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000521683862 858230027 /nfs/dbraw/zinc/23/00/27/858230027.db2.gz CMYZRIHCYGIODI-MSOLQXFVSA-N 2 1 394.991 3.676 20 0 GHADMP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442962960 858272475 /nfs/dbraw/zinc/27/24/75/858272475.db2.gz HRCPJZOPFYRBTH-ILBGXUMGSA-N 2 1 395.591 3.623 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543088280 858276603 /nfs/dbraw/zinc/27/66/03/858276603.db2.gz IRDRBIPFKSPRSJ-UYAOXDASSA-N 2 1 381.923 3.603 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000521821708 858354662 /nfs/dbraw/zinc/35/46/62/858354662.db2.gz RJISESLXZHALOD-UHFFFAOYSA-N 2 1 385.474 3.516 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553079 858360930 /nfs/dbraw/zinc/36/09/30/858360930.db2.gz MGIJXMRDAMKNGV-MSOLQXFVSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553079 858360935 /nfs/dbraw/zinc/36/09/35/858360935.db2.gz MGIJXMRDAMKNGV-MSOLQXFVSA-N 2 1 396.938 3.526 20 0 GHADMP C[C@H](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCCCC1 ZINC000181835551 863029768 /nfs/dbraw/zinc/02/97/68/863029768.db2.gz IDGBWZCMWHFSGV-GGPKGHCWSA-N 2 1 392.613 3.695 20 0 GHADMP COC(=O)C[C@@](C)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccncc1 ZINC000595486605 858534079 /nfs/dbraw/zinc/53/40/79/858534079.db2.gz OLDIKZAYVKMEMV-HSZRJFAPSA-N 2 1 381.520 3.636 20 0 GHADMP CCOc1cc2[nH+]ccc(NCCc3cn4c([nH+]3)CCCC4)c2cc1OCC ZINC000443425635 858664849 /nfs/dbraw/zinc/66/48/49/858664849.db2.gz YBYBOVQKHNBFNE-UHFFFAOYSA-N 2 1 380.492 3.642 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000595900876 858712064 /nfs/dbraw/zinc/71/20/64/858712064.db2.gz OKUDMKXLYDZRAP-IBGZPJMESA-N 2 1 399.560 3.808 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[C@@H](c2ccccc2)C1 ZINC000474063595 858752094 /nfs/dbraw/zinc/75/20/94/858752094.db2.gz XSBGRVFRRODWQC-MOUTVQLLSA-N 2 1 385.596 3.550 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)C[C@H](C)O1 ZINC000474075776 858790547 /nfs/dbraw/zinc/79/05/47/858790547.db2.gz WRWOMXNEGXQHDT-QBZTVIHSSA-N 2 1 386.580 3.981 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(Cl)s2)cc1 ZINC000183678388 858794826 /nfs/dbraw/zinc/79/48/26/858794826.db2.gz CHVXCMTXGIMJSQ-CYBMUJFWSA-N 2 1 388.924 3.863 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000282529864 858876657 /nfs/dbraw/zinc/87/66/57/858876657.db2.gz VJLFUWLTAVBNTA-QFIPXVFZSA-N 2 1 395.547 3.775 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000282529864 858876663 /nfs/dbraw/zinc/87/66/63/858876663.db2.gz VJLFUWLTAVBNTA-QFIPXVFZSA-N 2 1 395.547 3.775 20 0 GHADMP CN(C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126943872 858921926 /nfs/dbraw/zinc/92/19/26/858921926.db2.gz IVVUSTBCTKKCPK-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001126943872 858921931 /nfs/dbraw/zinc/92/19/31/858921931.db2.gz IVVUSTBCTKKCPK-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001126943872 858921939 /nfs/dbraw/zinc/92/19/39/858921939.db2.gz IVVUSTBCTKKCPK-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2CC2CCCCC2)[C@H](C)C1 ZINC000482877309 858937149 /nfs/dbraw/zinc/93/71/49/858937149.db2.gz QWRCLQAVXSNAMA-PUHATCMVSA-N 2 1 379.633 3.758 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000482877309 858937160 /nfs/dbraw/zinc/93/71/60/858937160.db2.gz QWRCLQAVXSNAMA-PUHATCMVSA-N 2 1 379.633 3.758 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000482877309 858937172 /nfs/dbraw/zinc/93/71/72/858937172.db2.gz QWRCLQAVXSNAMA-PUHATCMVSA-N 2 1 379.633 3.758 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000466292454 859008747 /nfs/dbraw/zinc/00/87/47/859008747.db2.gz ANXQKTVIPPYQIO-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292454 859008753 /nfs/dbraw/zinc/00/87/53/859008753.db2.gz ANXQKTVIPPYQIO-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292454 859008765 /nfs/dbraw/zinc/00/87/65/859008765.db2.gz ANXQKTVIPPYQIO-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc2cccnc12 ZINC000543246023 859016263 /nfs/dbraw/zinc/01/62/63/859016263.db2.gz ZWWMGXNRIOIWGG-FQEVSTJZSA-N 2 1 380.561 3.683 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000116536272 859020929 /nfs/dbraw/zinc/02/09/29/859020929.db2.gz ZKEHFYCEVJCHNX-FQEVSTJZSA-N 2 1 394.563 3.643 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000466300097 859023936 /nfs/dbraw/zinc/02/39/36/859023936.db2.gz WCFXKDWENYJIBA-FCHUYYIVSA-N 2 1 390.616 3.549 20 0 GHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000443597722 859025604 /nfs/dbraw/zinc/02/56/04/859025604.db2.gz FDXBKHUIKSGGEK-UHFFFAOYSA-N 2 1 395.494 3.815 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC000483002308 859061807 /nfs/dbraw/zinc/06/18/07/859061807.db2.gz UPSAJCUNKYUPHA-RBBKRZOGSA-N 2 1 384.568 3.663 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC000483002306 859062047 /nfs/dbraw/zinc/06/20/47/859062047.db2.gz UPSAJCUNKYUPHA-IFMALSPDSA-N 2 1 384.568 3.663 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000522338333 859078428 /nfs/dbraw/zinc/07/84/28/859078428.db2.gz LUEBZEGGZBUUJQ-RBUKOAKNSA-N 2 1 392.613 3.551 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552646 881380664 /nfs/dbraw/zinc/38/06/64/881380664.db2.gz ODNMPBGIPBVONA-MBSDFSHPSA-N 2 1 383.536 3.799 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552646 881380682 /nfs/dbraw/zinc/38/06/82/881380682.db2.gz ODNMPBGIPBVONA-MBSDFSHPSA-N 2 1 383.536 3.799 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](C)c3ccc(OC)cc3)C2)ccn1 ZINC000856552646 881380701 /nfs/dbraw/zinc/38/07/01/881380701.db2.gz ODNMPBGIPBVONA-MBSDFSHPSA-N 2 1 383.536 3.799 20 0 GHADMP O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000011080973 859093142 /nfs/dbraw/zinc/09/31/42/859093142.db2.gz QYQRPSFGCOWXML-QHCPKHFHSA-N 2 1 395.522 3.921 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000185661011 859113431 /nfs/dbraw/zinc/11/34/31/859113431.db2.gz LEWRRCHCLZLYFM-HIXPXXRBSA-N 2 1 387.612 3.703 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000185661011 859113440 /nfs/dbraw/zinc/11/34/40/859113440.db2.gz LEWRRCHCLZLYFM-HIXPXXRBSA-N 2 1 387.612 3.703 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000191483178 859177972 /nfs/dbraw/zinc/17/79/72/859177972.db2.gz MMEFOYDQVUVJPZ-NRFANRHFSA-N 2 1 382.552 3.694 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000191483178 859177982 /nfs/dbraw/zinc/17/79/82/859177982.db2.gz MMEFOYDQVUVJPZ-NRFANRHFSA-N 2 1 382.552 3.694 20 0 GHADMP Cc1ncsc1C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000923339148 859235668 /nfs/dbraw/zinc/23/56/68/859235668.db2.gz PYBVBJYVIDFUPH-DENIHFKCSA-N 2 1 395.572 3.620 20 0 GHADMP Cc1ncsc1C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000923339148 859235680 /nfs/dbraw/zinc/23/56/80/859235680.db2.gz PYBVBJYVIDFUPH-DENIHFKCSA-N 2 1 395.572 3.620 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000191518967 859253840 /nfs/dbraw/zinc/25/38/40/859253840.db2.gz UCSDIHBKASXZCW-UHFFFAOYSA-N 2 1 393.329 3.559 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000191518967 859253854 /nfs/dbraw/zinc/25/38/54/859253854.db2.gz UCSDIHBKASXZCW-UHFFFAOYSA-N 2 1 393.329 3.559 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000923401983 859285339 /nfs/dbraw/zinc/28/53/39/859285339.db2.gz RFWOJWZPWBGZDN-RZLSGREXSA-N 2 1 396.375 3.628 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000923401983 859285348 /nfs/dbraw/zinc/28/53/48/859285348.db2.gz RFWOJWZPWBGZDN-RZLSGREXSA-N 2 1 396.375 3.628 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000069017186 859300201 /nfs/dbraw/zinc/30/02/01/859300201.db2.gz UJPCJDOSFSREOV-CEXWTWQISA-N 2 1 398.551 3.927 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000069017186 859300215 /nfs/dbraw/zinc/30/02/15/859300215.db2.gz UJPCJDOSFSREOV-CEXWTWQISA-N 2 1 398.551 3.927 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483412880 859348431 /nfs/dbraw/zinc/34/84/31/859348431.db2.gz XJAMDJYCSQEVRR-INIZCTEOSA-N 2 1 399.501 3.559 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000626016187 859358018 /nfs/dbraw/zinc/35/80/18/859358018.db2.gz KTCOTTXHOAWOJS-MQNAVGNWSA-N 2 1 388.515 3.703 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000626016187 859358029 /nfs/dbraw/zinc/35/80/29/859358029.db2.gz KTCOTTXHOAWOJS-MQNAVGNWSA-N 2 1 388.515 3.703 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000466731070 859367339 /nfs/dbraw/zinc/36/73/39/859367339.db2.gz KBDUOOPPZMVARJ-GOSISDBHSA-N 2 1 386.540 3.929 20 0 GHADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062435 859436487 /nfs/dbraw/zinc/43/64/87/859436487.db2.gz SETSBBRTBPULMN-IBGZPJMESA-N 2 1 397.563 3.798 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000626063256 859437199 /nfs/dbraw/zinc/43/71/99/859437199.db2.gz XKTVEJVQQZPSQH-KRWDZBQOSA-N 2 1 399.535 3.615 20 0 GHADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC1CCN(c2ccccn2)CC1 ZINC000543394266 859542518 /nfs/dbraw/zinc/54/25/18/859542518.db2.gz JVEWTXSVADDCAP-UHFFFAOYSA-N 2 1 390.535 3.709 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3nc(C(C)(C)C)co3)C2)ccn1 ZINC000895501668 859602398 /nfs/dbraw/zinc/60/23/98/859602398.db2.gz ZUZINCCPAVOLBT-LJQANCHMSA-N 2 1 386.540 3.861 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCCN(Cc4ccccc4)C3)CCCC2)CC1 ZINC000544362079 859605173 /nfs/dbraw/zinc/60/51/73/859605173.db2.gz DNMIJMVBCCQBEF-QFIPXVFZSA-N 2 1 385.596 3.664 20 0 GHADMP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000114455526 859614088 /nfs/dbraw/zinc/61/40/88/859614088.db2.gz GQMKXEYVBGCKTM-UHFFFAOYSA-N 2 1 386.367 3.804 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000114455526 859614090 /nfs/dbraw/zinc/61/40/90/859614090.db2.gz GQMKXEYVBGCKTM-UHFFFAOYSA-N 2 1 386.367 3.804 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561318 881445279 /nfs/dbraw/zinc/44/52/79/881445279.db2.gz SXMGIJKRGKROLU-HSZRJFAPSA-N 2 1 393.531 3.851 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561318 881445320 /nfs/dbraw/zinc/44/53/20/881445320.db2.gz SXMGIJKRGKROLU-HSZRJFAPSA-N 2 1 393.531 3.851 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)ccn1 ZINC000856561318 881445580 /nfs/dbraw/zinc/44/55/80/881445580.db2.gz SXMGIJKRGKROLU-HSZRJFAPSA-N 2 1 393.531 3.851 20 0 GHADMP Cc1cc2c(ncnc2N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000761228737 859654367 /nfs/dbraw/zinc/65/43/67/859654367.db2.gz BTVBHFNXGGZMRF-UHFFFAOYSA-N 2 1 387.597 3.632 20 0 GHADMP Cc1cc([C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2cccnc2)ccc1F ZINC000543423758 859669809 /nfs/dbraw/zinc/66/98/09/859669809.db2.gz DQIWKZORWCMANW-HSZRJFAPSA-N 2 1 394.494 3.744 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCC[NH+]3CCC4(CCCCC4)CC3)CC2)[nH+]c1 ZINC000669622476 859687692 /nfs/dbraw/zinc/68/76/92/859687692.db2.gz OJUNXZOQVSLFKF-UHFFFAOYSA-N 2 1 398.595 3.769 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000466483959 859708101 /nfs/dbraw/zinc/70/81/01/859708101.db2.gz WUCXWIBYMZGVCI-HKUYNNGSSA-N 2 1 392.613 3.527 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000532216081 881475605 /nfs/dbraw/zinc/47/56/05/881475605.db2.gz WCHLTJBKFXAHAB-SGLNWRHMSA-N 2 1 394.003 3.810 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000765402168 859955345 /nfs/dbraw/zinc/95/53/45/859955345.db2.gz UPBDYNNNCQMUKI-PXDATVDWSA-N 2 1 395.591 3.906 20 0 GHADMP Fc1ccc2occ(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)c2c1 ZINC001141852525 860069848 /nfs/dbraw/zinc/06/98/48/860069848.db2.gz HISUAHPRFDQMBT-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occ(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)c2c1 ZINC001141852525 860069862 /nfs/dbraw/zinc/06/98/62/860069862.db2.gz HISUAHPRFDQMBT-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occ(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)c2c1 ZINC001141852525 860069875 /nfs/dbraw/zinc/06/98/75/860069875.db2.gz HISUAHPRFDQMBT-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000471763490 860196047 /nfs/dbraw/zinc/19/60/47/860196047.db2.gz WPDCMIBBUZIMAC-LJQANCHMSA-N 2 1 385.309 3.694 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000484720067 860287270 /nfs/dbraw/zinc/28/72/70/860287270.db2.gz QRXNXQJHLLNPHD-CSGUBPAMSA-N 2 1 394.563 3.813 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036559 860292097 /nfs/dbraw/zinc/29/20/97/860292097.db2.gz VFHOWURIDWUNHI-BBIADKPPSA-N 2 1 383.580 3.809 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000536723270 860376730 /nfs/dbraw/zinc/37/67/30/860376730.db2.gz UMTCAZJNPZKWCJ-UHFFFAOYSA-N 2 1 383.540 3.678 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000474602803 860446950 /nfs/dbraw/zinc/44/69/50/860446950.db2.gz UIBOKAGKPHRAOK-FCGDIQPGSA-N 2 1 378.557 3.675 20 0 GHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1C(F)(F)F ZINC000484903711 860475757 /nfs/dbraw/zinc/47/57/57/860475757.db2.gz KIMQVECFDVDKGA-ATLSCFEFSA-N 2 1 386.458 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532246415 881562228 /nfs/dbraw/zinc/56/22/28/881562228.db2.gz OKWGPODEQKFRLD-WBFFODSVSA-N 2 1 384.486 3.969 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601054 881576296 /nfs/dbraw/zinc/57/62/96/881576296.db2.gz ZQHYHJLXNHBVIF-QHCPKHFHSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601054 881576308 /nfs/dbraw/zinc/57/63/08/881576308.db2.gz ZQHYHJLXNHBVIF-QHCPKHFHSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(N(C)C)c3)C2)ccn1 ZINC000856601054 881576328 /nfs/dbraw/zinc/57/63/28/881576328.db2.gz ZQHYHJLXNHBVIF-QHCPKHFHSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CC[NH+](C)Cc3ccccc3)C2)ccn1 ZINC000856603741 881578681 /nfs/dbraw/zinc/57/86/81/881578681.db2.gz FAUBZWLHVJTNGD-DEOSSOPVSA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CCN(CC[N@H+](C)Cc3ccccc3)C2)ccn1 ZINC000856603741 881578698 /nfs/dbraw/zinc/57/86/98/881578698.db2.gz FAUBZWLHVJTNGD-DEOSSOPVSA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CCN(CC[N@@H+](C)Cc3ccccc3)C2)ccn1 ZINC000856603741 881578711 /nfs/dbraw/zinc/57/87/11/881578711.db2.gz FAUBZWLHVJTNGD-DEOSSOPVSA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCN(C)Cc3ccccc3)C2)ccn1 ZINC000856603741 881578727 /nfs/dbraw/zinc/57/87/27/881578727.db2.gz FAUBZWLHVJTNGD-DEOSSOPVSA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCN(C)Cc3ccccc3)C2)ccn1 ZINC000856603741 881578739 /nfs/dbraw/zinc/57/87/39/881578739.db2.gz FAUBZWLHVJTNGD-DEOSSOPVSA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCN(C)Cc3ccccc3)C2)ccn1 ZINC000856603741 881578751 /nfs/dbraw/zinc/57/87/51/881578751.db2.gz FAUBZWLHVJTNGD-DEOSSOPVSA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCN(C)Cc3ccccc3)C2)ccn1 ZINC000856603741 881578770 /nfs/dbraw/zinc/57/87/70/881578770.db2.gz FAUBZWLHVJTNGD-DEOSSOPVSA-N 2 1 396.579 3.507 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606582 881585127 /nfs/dbraw/zinc/58/51/27/881585127.db2.gz LRJVAORSLPLWSY-DEOSSOPVSA-N 2 1 396.579 3.901 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606582 881585137 /nfs/dbraw/zinc/58/51/37/881585137.db2.gz LRJVAORSLPLWSY-DEOSSOPVSA-N 2 1 396.579 3.901 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856606582 881585148 /nfs/dbraw/zinc/58/51/48/881585148.db2.gz LRJVAORSLPLWSY-DEOSSOPVSA-N 2 1 396.579 3.901 20 0 GHADMP CCCOc1c(Br)cc(C[NH+]2CCC(C[NH3+])CC2)cc1OCC ZINC000469831218 860907792 /nfs/dbraw/zinc/90/77/92/860907792.db2.gz MVMZYFCXOAWPGF-UHFFFAOYSA-N 2 1 385.346 3.807 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)c2)cc1 ZINC000623358936 860918218 /nfs/dbraw/zinc/91/82/18/860918218.db2.gz ZVLCEWOKWUWPHU-JOCHJYFZSA-N 2 1 379.548 3.887 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)c2)cc1 ZINC000623358936 860918225 /nfs/dbraw/zinc/91/82/25/860918225.db2.gz ZVLCEWOKWUWPHU-JOCHJYFZSA-N 2 1 379.548 3.887 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1(C)C ZINC000623446047 861076825 /nfs/dbraw/zinc/07/68/25/861076825.db2.gz OIXLOVBQEXJQMJ-UONOGXRCSA-N 2 1 390.881 3.795 20 0 GHADMP C[N@H+]1CC[C@@H](NCc2cnn(-c3ccc(Br)cc3)c2)CC1(C)C ZINC000623509066 861126857 /nfs/dbraw/zinc/12/68/57/861126857.db2.gz RJKSMVVKSAMDHN-MRXNPFEDSA-N 2 1 377.330 3.597 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000482445691 863132467 /nfs/dbraw/zinc/13/24/67/863132467.db2.gz BHDUFGPLMIEHSW-FYYLOGMGSA-N 2 1 393.575 3.738 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)[C@H](C)C1 ZINC000624226090 863193389 /nfs/dbraw/zinc/19/33/89/863193389.db2.gz JQDJGBJHYJGFRV-POAQFYNOSA-N 2 1 397.966 3.784 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCc3ccc(F)c(F)c3)C2)ccn1 ZINC001183046625 912213397 /nfs/dbraw/zinc/21/33/97/912213397.db2.gz YERRTPSCZRXLLT-FQEVSTJZSA-N 2 1 389.490 3.897 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCc3ccc(F)c(F)c3)C2)ccn1 ZINC001183046625 912213414 /nfs/dbraw/zinc/21/34/14/912213414.db2.gz YERRTPSCZRXLLT-FQEVSTJZSA-N 2 1 389.490 3.897 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCc3ccc(F)c(F)c3)C2)ccn1 ZINC001183046625 912213426 /nfs/dbraw/zinc/21/34/26/912213426.db2.gz YERRTPSCZRXLLT-FQEVSTJZSA-N 2 1 389.490 3.897 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SC2CCCC2)cc1 ZINC000482540209 863279330 /nfs/dbraw/zinc/27/93/30/863279330.db2.gz FHKYIKJLDGWKQZ-IEBWSBKVSA-N 2 1 389.609 3.959 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000482556560 863307998 /nfs/dbraw/zinc/30/79/98/863307998.db2.gz NPYDENRILIQZLI-PKTZIBPZSA-N 2 1 379.548 3.538 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[N@H+](C1C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168051878 863668335 /nfs/dbraw/zinc/66/83/35/863668335.db2.gz JRRYEHLLGRMSFB-MZLICYQSSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000606620657 863739561 /nfs/dbraw/zinc/73/95/61/863739561.db2.gz HZASEDCTIBISAH-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)c2coc(C[NH3+])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000444268245 863788887 /nfs/dbraw/zinc/78/88/87/863788887.db2.gz LQKAPVUYVMVQGP-RDTXWAMCSA-N 2 1 395.425 3.570 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1cccs1 ZINC000103143137 863932785 /nfs/dbraw/zinc/93/27/85/863932785.db2.gz MGKDNEQYAIYVNS-SFHVURJKSA-N 2 1 385.577 3.769 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1cccs1 ZINC000103143137 863932794 /nfs/dbraw/zinc/93/27/94/863932794.db2.gz MGKDNEQYAIYVNS-SFHVURJKSA-N 2 1 385.577 3.769 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172775752 863955666 /nfs/dbraw/zinc/95/56/66/863955666.db2.gz JMXFSOZTSSIYDN-QHCPKHFHSA-N 2 1 393.531 3.856 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000172809432 864008873 /nfs/dbraw/zinc/00/88/73/864008873.db2.gz LOSXGCGTQOFFBD-PMACEKPBSA-N 2 1 379.589 3.687 20 0 GHADMP C[C@@H]1C[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000667618051 864017134 /nfs/dbraw/zinc/01/71/34/864017134.db2.gz JSVRUCBSLJPQAC-DENIHFKCSA-N 2 1 375.520 3.752 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000607057309 864018236 /nfs/dbraw/zinc/01/82/36/864018236.db2.gz DPRIUOMNCVZLKW-FQEVSTJZSA-N 2 1 394.563 3.818 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001168056027 864063885 /nfs/dbraw/zinc/06/38/85/864063885.db2.gz BSNRNBOMSUKUKU-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001168056027 864063901 /nfs/dbraw/zinc/06/39/01/864063901.db2.gz BSNRNBOMSUKUKU-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC001168056027 864063914 /nfs/dbraw/zinc/06/39/14/864063914.db2.gz BSNRNBOMSUKUKU-QRICJDHISA-N 2 1 395.547 3.985 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000607284226 864241004 /nfs/dbraw/zinc/24/10/04/864241004.db2.gz PGCAYEBEOFHCQC-FGZHOGPDSA-N 2 1 383.511 3.599 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000523003108 864314352 /nfs/dbraw/zinc/31/43/52/864314352.db2.gz IFBMLZFOJJGOKG-PCCBWWKXSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000523003108 864314364 /nfs/dbraw/zinc/31/43/64/864314364.db2.gz IFBMLZFOJJGOKG-PCCBWWKXSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000523003108 864314376 /nfs/dbraw/zinc/31/43/76/864314376.db2.gz IFBMLZFOJJGOKG-PCCBWWKXSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000163585335 864538271 /nfs/dbraw/zinc/53/82/71/864538271.db2.gz XIDLWOOTKGIUES-UHFFFAOYSA-N 2 1 395.576 3.913 20 0 GHADMP CCOc1c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)nn1CC(C)C ZINC000475222645 864598364 /nfs/dbraw/zinc/59/83/64/864598364.db2.gz CKQABBWMXBFMPJ-NRFANRHFSA-N 2 1 384.568 3.858 20 0 GHADMP CCOc1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1CC(C)C ZINC000475222645 864598372 /nfs/dbraw/zinc/59/83/72/864598372.db2.gz CKQABBWMXBFMPJ-NRFANRHFSA-N 2 1 384.568 3.858 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)c1ccco1 ZINC000622047715 864730701 /nfs/dbraw/zinc/73/07/01/864730701.db2.gz ZIOZKOAPBSJXIR-BTYIYWSLSA-N 2 1 394.519 3.608 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)c1ccco1 ZINC000622047715 864730707 /nfs/dbraw/zinc/73/07/07/864730707.db2.gz ZIOZKOAPBSJXIR-BTYIYWSLSA-N 2 1 394.519 3.608 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000444337594 864760493 /nfs/dbraw/zinc/76/04/93/864760493.db2.gz BENIOVHBIZCLPN-SQNIBIBYSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000444337594 864760503 /nfs/dbraw/zinc/76/05/03/864760503.db2.gz BENIOVHBIZCLPN-SQNIBIBYSA-N 2 1 383.540 3.661 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000120920232 881801395 /nfs/dbraw/zinc/80/13/95/881801395.db2.gz MXDUZWIBXRVTEM-WOJBJXKFSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000120920232 881801409 /nfs/dbraw/zinc/80/14/09/881801409.db2.gz MXDUZWIBXRVTEM-WOJBJXKFSA-N 2 1 392.975 3.601 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3nc(C)cc3C)cc2)[C@H](C)C1 ZINC000480608433 864939457 /nfs/dbraw/zinc/93/94/57/864939457.db2.gz JMGYLCVXVWHFSJ-NTKDMRAZSA-N 2 1 398.595 3.758 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000840862443 865022855 /nfs/dbraw/zinc/02/28/55/865022855.db2.gz GMLYOWZMEYCZQP-BVYCBKJFSA-N 2 1 381.520 3.750 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000840862443 865022866 /nfs/dbraw/zinc/02/28/66/865022866.db2.gz GMLYOWZMEYCZQP-BVYCBKJFSA-N 2 1 381.520 3.750 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608164749 865036327 /nfs/dbraw/zinc/03/63/27/865036327.db2.gz FMBJZQUUMGZJNR-LEWJYISDSA-N 2 1 385.939 3.676 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000608164749 865036333 /nfs/dbraw/zinc/03/63/33/865036333.db2.gz FMBJZQUUMGZJNR-LEWJYISDSA-N 2 1 385.939 3.676 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000480701077 865135316 /nfs/dbraw/zinc/13/53/16/865135316.db2.gz DSBVIIUZNHMFBP-VWLOTQADSA-N 2 1 393.575 4.000 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000608248947 865152094 /nfs/dbraw/zinc/15/20/94/865152094.db2.gz SSHMLUHFHGZGDD-FQEVSTJZSA-N 2 1 383.536 3.716 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000622752282 865263727 /nfs/dbraw/zinc/26/37/27/865263727.db2.gz YNKNBSDQKOJTRZ-GOTSBHOMSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000622752282 865263742 /nfs/dbraw/zinc/26/37/42/865263742.db2.gz YNKNBSDQKOJTRZ-GOTSBHOMSA-N 2 1 383.580 3.559 20 0 GHADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000622752282 865263757 /nfs/dbraw/zinc/26/37/57/865263757.db2.gz YNKNBSDQKOJTRZ-GOTSBHOMSA-N 2 1 383.580 3.559 20 0 GHADMP CC(C)[C@@H](CNc1cc[nH+]c2cc(Br)ccc12)[NH+]1CCN(C)CC1 ZINC000301381064 865325308 /nfs/dbraw/zinc/32/53/08/865325308.db2.gz ULQVJZICWKASHU-LJQANCHMSA-N 2 1 391.357 3.681 20 0 GHADMP COc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)cc1 ZINC000480824676 865358538 /nfs/dbraw/zinc/35/85/38/865358538.db2.gz PRPPHCUBGWDMEX-OFNKIYASSA-N 2 1 399.579 3.603 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000171764740 865362482 /nfs/dbraw/zinc/36/24/82/865362482.db2.gz GXTPKUBIGOADSX-AWEZNQCLSA-N 2 1 388.313 3.566 20 0 GHADMP CC(C)[C@@H](CNc1cc[nH+]c2cc(C(F)(F)F)ccc12)[NH+]1CCN(C)CC1 ZINC000301770609 865531172 /nfs/dbraw/zinc/53/11/72/865531172.db2.gz DKPDHEKFJNNKGN-LJQANCHMSA-N 2 1 380.458 3.938 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000738518467 865550746 /nfs/dbraw/zinc/55/07/46/865550746.db2.gz UIWSVBVBFRJTEF-QHCPKHFHSA-N 2 1 379.548 3.619 20 0 GHADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCC1 ZINC000738984449 865669729 /nfs/dbraw/zinc/66/97/29/865669729.db2.gz KQTNNGGDMJNLHS-SJBKTWHCSA-N 2 1 386.584 3.555 20 0 GHADMP CCS[C@H]1CCCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000481006639 865681894 /nfs/dbraw/zinc/68/18/94/865681894.db2.gz GJQBFYJWFGSQPY-NRFANRHFSA-N 2 1 389.609 3.506 20 0 GHADMP COc1cccc2c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc(C)[nH+]c12 ZINC000302071793 865697973 /nfs/dbraw/zinc/69/79/73/865697973.db2.gz YVNXXRMGQUZGLA-LJQANCHMSA-N 2 1 377.488 3.731 20 0 GHADMP COc1cccc2c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc(C)[nH+]c12 ZINC000302071793 865697977 /nfs/dbraw/zinc/69/79/77/865697977.db2.gz YVNXXRMGQUZGLA-LJQANCHMSA-N 2 1 377.488 3.731 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000899377084 865870276 /nfs/dbraw/zinc/87/02/76/865870276.db2.gz UADWYOIJYRGSIU-CVDCTZTESA-N 2 1 383.580 3.792 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000481177281 865929355 /nfs/dbraw/zinc/92/93/55/865929355.db2.gz TZPQRPLWLKPEKV-SPEDKVCISA-N 2 1 383.511 3.503 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000481177281 865929365 /nfs/dbraw/zinc/92/93/65/865929365.db2.gz TZPQRPLWLKPEKV-SPEDKVCISA-N 2 1 383.511 3.503 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481181901 865943659 /nfs/dbraw/zinc/94/36/59/865943659.db2.gz OIPIHSWTBRWUAT-AWRGLXIESA-N 2 1 393.575 3.542 20 0 GHADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481181901 865943671 /nfs/dbraw/zinc/94/36/71/865943671.db2.gz OIPIHSWTBRWUAT-AWRGLXIESA-N 2 1 393.575 3.542 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857008674 881925713 /nfs/dbraw/zinc/92/57/13/881925713.db2.gz FNXRFHALDGDXLF-FQEVSTJZSA-N 2 1 381.520 3.689 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068352 866101771 /nfs/dbraw/zinc/10/17/71/866101771.db2.gz XVKKMSORJOZZCS-CNNODRBYSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068352 866101773 /nfs/dbraw/zinc/10/17/73/866101773.db2.gz XVKKMSORJOZZCS-CNNODRBYSA-N 2 1 380.536 3.680 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223609 866334427 /nfs/dbraw/zinc/33/44/27/866334427.db2.gz OGASAYOGFPWZEI-APWZRJJASA-N 2 1 398.954 3.501 20 0 GHADMP CC[NH+](CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223609 866334439 /nfs/dbraw/zinc/33/44/39/866334439.db2.gz OGASAYOGFPWZEI-APWZRJJASA-N 2 1 398.954 3.501 20 0 GHADMP CC[NH+](CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223609 866334454 /nfs/dbraw/zinc/33/44/54/866334454.db2.gz OGASAYOGFPWZEI-APWZRJJASA-N 2 1 398.954 3.501 20 0 GHADMP C[N@@H+](CCNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC000534227597 866342347 /nfs/dbraw/zinc/34/23/47/866342347.db2.gz WHGUWPGZHSTNHV-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC000534227597 866342366 /nfs/dbraw/zinc/34/23/66/866342366.db2.gz WHGUWPGZHSTNHV-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC000534227597 866342385 /nfs/dbraw/zinc/34/23/85/866342385.db2.gz WHGUWPGZHSTNHV-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000478626704 866379456 /nfs/dbraw/zinc/37/94/56/866379456.db2.gz XSFYDOUMAANKAH-REWPJTCUSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000478626704 866379488 /nfs/dbraw/zinc/37/94/88/866379488.db2.gz XSFYDOUMAANKAH-REWPJTCUSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000478626704 866379521 /nfs/dbraw/zinc/37/95/21/866379521.db2.gz XSFYDOUMAANKAH-REWPJTCUSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000478626704 866379531 /nfs/dbraw/zinc/37/95/31/866379531.db2.gz XSFYDOUMAANKAH-REWPJTCUSA-N 2 1 383.580 3.764 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000582249058 866567766 /nfs/dbraw/zinc/56/77/66/866567766.db2.gz CTXFJSYZGOBEIG-HSZRJFAPSA-N 2 1 383.580 3.719 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000857084396 881995710 /nfs/dbraw/zinc/99/57/10/881995710.db2.gz PHEWGVPJUBDOFY-WSTZPKSXSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000857084396 881995724 /nfs/dbraw/zinc/99/57/24/881995724.db2.gz PHEWGVPJUBDOFY-WSTZPKSXSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000478806782 866679634 /nfs/dbraw/zinc/67/96/34/866679634.db2.gz NTFBIVRWPOAOGV-TXTKFYIRSA-N 2 1 398.595 3.829 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523150681 866771802 /nfs/dbraw/zinc/77/18/02/866771802.db2.gz VKPLMDOPJRKTRL-ZRBLBEILSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000523150681 866771805 /nfs/dbraw/zinc/77/18/05/866771805.db2.gz VKPLMDOPJRKTRL-ZRBLBEILSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000523150681 866771811 /nfs/dbraw/zinc/77/18/11/866771811.db2.gz VKPLMDOPJRKTRL-ZRBLBEILSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000121269101 882016685 /nfs/dbraw/zinc/01/66/85/882016685.db2.gz NFVYBSVQDAJCHF-HTAPYJJXSA-N 2 1 391.519 3.844 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000553143898 866874731 /nfs/dbraw/zinc/87/47/31/866874731.db2.gz SQROJXSTYRIIAC-UPVQGACJSA-N 2 1 397.607 3.710 20 0 GHADMP Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000444729148 867152328 /nfs/dbraw/zinc/15/23/28/867152328.db2.gz FEZZRYCUCWFEIL-IBGZPJMESA-N 2 1 397.538 3.735 20 0 GHADMP Cc1cc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000444729148 867152343 /nfs/dbraw/zinc/15/23/43/867152343.db2.gz FEZZRYCUCWFEIL-IBGZPJMESA-N 2 1 397.538 3.735 20 0 GHADMP Cc1cccc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)c1 ZINC000153966255 867180176 /nfs/dbraw/zinc/18/01/76/867180176.db2.gz LFBIGMJUHZKKFQ-DEOSSOPVSA-N 2 1 385.596 3.755 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553406690 867363543 /nfs/dbraw/zinc/36/35/43/867363543.db2.gz JBOSYTYZCVNKCU-OAQYLSRUSA-N 2 1 395.572 3.696 20 0 GHADMP CC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000620771328 867405322 /nfs/dbraw/zinc/40/53/22/867405322.db2.gz GLMDLNSOEAPACQ-QHCPKHFHSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000121341752 882083111 /nfs/dbraw/zinc/08/31/11/882083111.db2.gz OBHJTFVEOXJSEU-KRWDZBQOSA-N 2 1 391.519 3.803 20 0 GHADMP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000154682695 867546512 /nfs/dbraw/zinc/54/65/12/867546512.db2.gz LHDVZHQEOTXZHE-LJQANCHMSA-N 2 1 390.572 3.569 20 0 GHADMP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965330 867837045 /nfs/dbraw/zinc/83/70/45/867837045.db2.gz QZXBRVPNDQFSPS-IFMALSPDSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000155254620 867837912 /nfs/dbraw/zinc/83/79/12/867837912.db2.gz GTIQPBWFWKEMMM-MDZRGWNJSA-N 2 1 395.385 3.816 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000155321005 867867524 /nfs/dbraw/zinc/86/75/24/867867524.db2.gz KBNIHDRDGLGPKB-HBFSDRIKSA-N 2 1 376.541 3.636 20 0 GHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000479528822 867925177 /nfs/dbraw/zinc/92/51/77/867925177.db2.gz GEZUJXYALKOCSU-NRFANRHFSA-N 2 1 393.575 3.878 20 0 GHADMP Cc1cc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000535036597 867957883 /nfs/dbraw/zinc/95/78/83/867957883.db2.gz WTZGPFLPGQSKMT-LJQANCHMSA-N 2 1 377.410 3.513 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000479545549 867992764 /nfs/dbraw/zinc/99/27/64/867992764.db2.gz UOQBTBQBDAGBJC-HXUWFJFHSA-N 2 1 392.632 3.795 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C2CCC2)[NH+]2CCCCC2)cc1 ZINC000479668303 868296995 /nfs/dbraw/zinc/29/69/95/868296995.db2.gz TYSJTZFMIPRHIC-DHIUTWEWSA-N 2 1 399.579 3.603 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@H](C)C1 ZINC000156516678 868386679 /nfs/dbraw/zinc/38/66/79/868386679.db2.gz YNWZYUPKCBDRFK-DNVCBOLYSA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)cc2C(F)(F)F)[C@H](C)C1 ZINC000156516678 868386694 /nfs/dbraw/zinc/38/66/94/868386694.db2.gz YNWZYUPKCBDRFK-DNVCBOLYSA-N 2 1 388.474 3.941 20 0 GHADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000553952812 868523624 /nfs/dbraw/zinc/52/36/24/868523624.db2.gz OUWNUPFNWLLERP-JOCLIGHLSA-N 2 1 375.944 3.514 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CCC[NH+](C)C)s2)cc1OC ZINC000479858104 868610474 /nfs/dbraw/zinc/61/04/74/868610474.db2.gz IFSDOBGPHXFNAJ-CQSZACIVSA-N 2 1 377.554 3.662 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000524156231 868627536 /nfs/dbraw/zinc/62/75/36/868627536.db2.gz XKHCURABMPUJHX-UHFFFAOYSA-N 2 1 385.596 3.667 20 0 GHADMP CCC(CC)[C@H](CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000158198538 868891210 /nfs/dbraw/zinc/89/12/10/868891210.db2.gz NXDVIWCCRNCVNF-UWJYYQICSA-N 2 1 390.572 3.568 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c2cccs2)cc1 ZINC000524371367 868997750 /nfs/dbraw/zinc/99/77/50/868997750.db2.gz DKHCZCOITXGRJE-QFIPXVFZSA-N 2 1 385.577 3.536 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459449416 869120439 /nfs/dbraw/zinc/12/04/39/869120439.db2.gz YZTLVZIWWOUUSQ-RBUKOAKNSA-N 2 1 378.923 3.959 20 0 GHADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(OC)c1OCc1ccccc1 ZINC000539546230 869324981 /nfs/dbraw/zinc/32/49/81/869324981.db2.gz LIDBLGVGAOLABG-UHFFFAOYSA-N 2 1 382.504 3.634 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccsc1 ZINC000524619248 869351337 /nfs/dbraw/zinc/35/13/37/869351337.db2.gz PSTKIOFJROXUOD-PMACEKPBSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000524932546 869771282 /nfs/dbraw/zinc/77/12/82/869771282.db2.gz DTFJFMFRBUVCBD-GOSISDBHSA-N 2 1 386.584 3.602 20 0 GHADMP COc1ccc([C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000539809046 869822404 /nfs/dbraw/zinc/82/24/04/869822404.db2.gz ASPFMQRTCFLIHX-QHCPKHFHSA-N 2 1 385.527 3.541 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462741431 869976370 /nfs/dbraw/zinc/97/63/70/869976370.db2.gz UFNNKHFPHHLKJU-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccc(C)cc1 ZINC000746134014 870069141 /nfs/dbraw/zinc/06/91/41/870069141.db2.gz NCPPKDAJSUJPQA-UHFFFAOYSA-N 2 1 394.563 3.598 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000462790877 870087110 /nfs/dbraw/zinc/08/71/10/870087110.db2.gz VROULIWDSQXMNQ-UHFFFAOYSA-N 2 1 396.531 3.764 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n(C)c1C ZINC000462793184 870091268 /nfs/dbraw/zinc/09/12/68/870091268.db2.gz QVYGXAHZDFCIIZ-QGZVFWFLSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cnn1C(C)(C)C ZINC000191164687 882372404 /nfs/dbraw/zinc/37/24/04/882372404.db2.gz ULKONWKRQNWPHK-WMZHIEFXSA-N 2 1 397.611 3.976 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@@H+]1C ZINC000468089274 870126071 /nfs/dbraw/zinc/12/60/71/870126071.db2.gz QBFZUPBVNHPWHD-HFSMHLIXSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCc3sccc3C2)CC[N@H+]1C ZINC000468089274 870126084 /nfs/dbraw/zinc/12/60/84/870126084.db2.gz QBFZUPBVNHPWHD-HFSMHLIXSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000468089274 870126088 /nfs/dbraw/zinc/12/60/88/870126088.db2.gz QBFZUPBVNHPWHD-HFSMHLIXSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC[NH+]1C ZINC000468089274 870126099 /nfs/dbraw/zinc/12/60/99/870126099.db2.gz QBFZUPBVNHPWHD-HFSMHLIXSA-N 2 1 397.588 3.694 20 0 GHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248005463 870259232 /nfs/dbraw/zinc/25/92/32/870259232.db2.gz KURUFSTWMDHXJH-SFYKDHMMSA-N 2 1 379.548 3.666 20 0 GHADMP O=C(NCCCCCCC[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746320111 870271324 /nfs/dbraw/zinc/27/13/24/870271324.db2.gz DCUHBAMDFHCXBK-UNMCSNQZSA-N 2 1 390.616 3.691 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@H]21 ZINC000248050845 870273551 /nfs/dbraw/zinc/27/35/51/870273551.db2.gz WGASOYYJFVLNPH-XQBPLPMBSA-N 2 1 377.532 3.572 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC[C@H]21 ZINC000248050845 870273567 /nfs/dbraw/zinc/27/35/67/870273567.db2.gz WGASOYYJFVLNPH-XQBPLPMBSA-N 2 1 377.532 3.572 20 0 GHADMP Cc1cccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000248402059 870375302 /nfs/dbraw/zinc/37/53/02/870375302.db2.gz UFXZGYUEKVZYCK-HROJSSOGSA-N 2 1 379.548 3.988 20 0 GHADMP Cc1cccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000248402059 870375320 /nfs/dbraw/zinc/37/53/20/870375320.db2.gz UFXZGYUEKVZYCK-HROJSSOGSA-N 2 1 379.548 3.988 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248408631 870386448 /nfs/dbraw/zinc/38/64/48/870386448.db2.gz VSPDXQWMNLIPPO-BLKABHOGSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248408631 870386462 /nfs/dbraw/zinc/38/64/62/870386462.db2.gz VSPDXQWMNLIPPO-BLKABHOGSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408631 870386489 /nfs/dbraw/zinc/38/64/89/870386489.db2.gz VSPDXQWMNLIPPO-BLKABHOGSA-N 2 1 398.595 3.602 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000538720147 870415620 /nfs/dbraw/zinc/41/56/20/870415620.db2.gz JHAYZRLOXBMTKT-XLIONFOSSA-N 2 1 398.551 3.553 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000538720147 870415625 /nfs/dbraw/zinc/41/56/25/870415625.db2.gz JHAYZRLOXBMTKT-XLIONFOSSA-N 2 1 398.551 3.553 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000538720147 870415629 /nfs/dbraw/zinc/41/56/29/870415629.db2.gz JHAYZRLOXBMTKT-XLIONFOSSA-N 2 1 398.551 3.553 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000538720147 870415636 /nfs/dbraw/zinc/41/56/36/870415636.db2.gz JHAYZRLOXBMTKT-XLIONFOSSA-N 2 1 398.551 3.553 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC000538721611 870418674 /nfs/dbraw/zinc/41/86/74/870418674.db2.gz UIABXJVVZOFPLM-FQEVSTJZSA-N 2 1 385.527 3.994 20 0 GHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCCO2 ZINC000248437905 870419505 /nfs/dbraw/zinc/41/95/05/870419505.db2.gz HKOXPFXLQNOXOX-GMAHTHKFSA-N 2 1 380.532 3.955 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248440893 870423115 /nfs/dbraw/zinc/42/31/15/870423115.db2.gz JWXGGHMFHWFJFD-UNMCSNQZSA-N 2 1 384.495 3.786 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(OC)c1 ZINC000248458469 870436319 /nfs/dbraw/zinc/43/63/19/870436319.db2.gz USSGLAWADWVPRQ-PXNSSMCTSA-N 2 1 384.520 3.511 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000248463314 870440678 /nfs/dbraw/zinc/44/06/78/870440678.db2.gz YWHNPGCDXSZKKU-GMAHTHKFSA-N 2 1 382.573 3.764 20 0 GHADMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000525393676 870602530 /nfs/dbraw/zinc/60/25/30/870602530.db2.gz SGRPTALNVPLJSV-RTWAWAEBSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000525393676 870602536 /nfs/dbraw/zinc/60/25/36/870602536.db2.gz SGRPTALNVPLJSV-RTWAWAEBSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000525393676 870602542 /nfs/dbraw/zinc/60/25/42/870602542.db2.gz SGRPTALNVPLJSV-RTWAWAEBSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000525393676 870602549 /nfs/dbraw/zinc/60/25/49/870602549.db2.gz SGRPTALNVPLJSV-RTWAWAEBSA-N 2 1 391.559 3.556 20 0 GHADMP Cc1cccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000550843067 882424629 /nfs/dbraw/zinc/42/46/29/882424629.db2.gz VZGKLZQBGAPVPR-UHFFFAOYSA-N 2 1 379.548 3.516 20 0 GHADMP Cc1cccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000550843067 882424636 /nfs/dbraw/zinc/42/46/36/882424636.db2.gz VZGKLZQBGAPVPR-UHFFFAOYSA-N 2 1 379.548 3.516 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(Br)cs1 ZINC000248738699 870616333 /nfs/dbraw/zinc/61/63/33/870616333.db2.gz PHMJVXKSTSWADU-VBNZEHGJSA-N 2 1 387.387 3.929 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000538797407 870626122 /nfs/dbraw/zinc/62/61/22/870626122.db2.gz DYDGQAJMMOXZNW-KCZVDYSFSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000538797407 870626128 /nfs/dbraw/zinc/62/61/28/870626128.db2.gz DYDGQAJMMOXZNW-KCZVDYSFSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000538798296 870628647 /nfs/dbraw/zinc/62/86/47/870628647.db2.gz YCUDHVQXZHRKDL-SFHLNBCPSA-N 2 1 376.541 3.558 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000538798296 870628659 /nfs/dbraw/zinc/62/86/59/870628659.db2.gz YCUDHVQXZHRKDL-SFHLNBCPSA-N 2 1 376.541 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000122132150 882430519 /nfs/dbraw/zinc/43/05/19/882430519.db2.gz KTNQFMYOLVQAIL-MJGOQNOKSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000122132150 882430526 /nfs/dbraw/zinc/43/05/26/882430526.db2.gz KTNQFMYOLVQAIL-MJGOQNOKSA-N 2 1 383.540 3.661 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000525482473 870767532 /nfs/dbraw/zinc/76/75/32/870767532.db2.gz UTTXDYXNACCSQP-FQEVSTJZSA-N 2 1 389.927 3.912 20 0 GHADMP Cc1nc2sc3c(c2c(NCC2([NH+]4CCCCC4)CC[NH+](C)CC2)n1)CCC3 ZINC000463069708 870827697 /nfs/dbraw/zinc/82/76/97/870827697.db2.gz ALIABIJWDLTZFM-UHFFFAOYSA-N 2 1 399.608 3.851 20 0 GHADMP C[NH+]1CCC(CNc2ncnc3sc4c(c32)CCCC4)([NH+]2CCCCC2)CC1 ZINC000463072194 870831054 /nfs/dbraw/zinc/83/10/54/870831054.db2.gz CNZFPVZPJRRWBF-UHFFFAOYSA-N 2 1 399.608 3.932 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)C(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000249468420 870839557 /nfs/dbraw/zinc/83/95/57/870839557.db2.gz SXDMUJCPTSRGDF-ZJOUEHCJSA-N 2 1 389.584 3.864 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000249468420 870839572 /nfs/dbraw/zinc/83/95/72/870839572.db2.gz SXDMUJCPTSRGDF-ZJOUEHCJSA-N 2 1 389.584 3.864 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000249468420 870839581 /nfs/dbraw/zinc/83/95/81/870839581.db2.gz SXDMUJCPTSRGDF-ZJOUEHCJSA-N 2 1 389.584 3.864 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1)CC(C)C ZINC000540281455 870905468 /nfs/dbraw/zinc/90/54/68/870905468.db2.gz XVVGPGJGDRKFTG-UHFFFAOYSA-N 2 1 380.621 3.652 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463129956 870947872 /nfs/dbraw/zinc/94/78/72/870947872.db2.gz DQSIAQYJWMJHKV-RDPSFJRHSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463129956 870947879 /nfs/dbraw/zinc/94/78/79/870947879.db2.gz DQSIAQYJWMJHKV-RDPSFJRHSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130680 870950191 /nfs/dbraw/zinc/95/01/91/870950191.db2.gz HILLOFZQFOLRDU-NZQKXSOJSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130680 870950196 /nfs/dbraw/zinc/95/01/96/870950196.db2.gz HILLOFZQFOLRDU-NZQKXSOJSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873674 870958461 /nfs/dbraw/zinc/95/84/61/870958461.db2.gz RZJAKBQXKAYLGF-IZIIKQMZSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873674 870958473 /nfs/dbraw/zinc/95/84/73/870958473.db2.gz RZJAKBQXKAYLGF-IZIIKQMZSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873674 870958481 /nfs/dbraw/zinc/95/84/81/870958481.db2.gz RZJAKBQXKAYLGF-IZIIKQMZSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873674 870958488 /nfs/dbraw/zinc/95/84/88/870958488.db2.gz RZJAKBQXKAYLGF-IZIIKQMZSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463149478 871017141 /nfs/dbraw/zinc/01/71/41/871017141.db2.gz LECQFUIAOZVYLL-XUZZJYLKSA-N 3 1 395.591 3.812 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463149478 871017159 /nfs/dbraw/zinc/01/71/59/871017159.db2.gz LECQFUIAOZVYLL-XUZZJYLKSA-N 3 1 395.591 3.812 20 0 GHADMP Cn1c2ccccc2nc1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090050738 871095062 /nfs/dbraw/zinc/09/50/62/871095062.db2.gz ZCEUDADYXZKHBB-UHFFFAOYSA-N 2 1 376.548 3.803 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463191726 871097864 /nfs/dbraw/zinc/09/78/64/871097864.db2.gz NSXRIZYAAVSWEA-QUCCMNQESA-N 2 1 384.520 3.725 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463191726 871097881 /nfs/dbraw/zinc/09/78/81/871097881.db2.gz NSXRIZYAAVSWEA-QUCCMNQESA-N 2 1 384.520 3.725 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@H+]3Cc3ccccc3)ccc21 ZINC000667195390 871197319 /nfs/dbraw/zinc/19/73/19/871197319.db2.gz XACKOAVFWNCTKH-RBBKRZOGSA-N 2 1 378.520 3.632 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131435 871222974 /nfs/dbraw/zinc/22/29/74/871222974.db2.gz URGAEQLQMJMKRA-CLWJZODNSA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131435 871222985 /nfs/dbraw/zinc/22/29/85/871222985.db2.gz URGAEQLQMJMKRA-CLWJZODNSA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131435 871222998 /nfs/dbraw/zinc/22/29/98/871222998.db2.gz URGAEQLQMJMKRA-CLWJZODNSA-N 2 1 399.526 3.580 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN([C@@H]2C[C@H]4CC[C@@H](C2)[NH+]4C)CC3)c1 ZINC001169138792 871229366 /nfs/dbraw/zinc/22/93/66/871229366.db2.gz JCYMVCYPOQTUGS-KOUNCHBCSA-N 2 1 383.580 3.608 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN([C@@H]2C[C@H]4CC[C@@H](C2)[N@H+]4C)CC3)c1 ZINC001169138792 871229385 /nfs/dbraw/zinc/22/93/85/871229385.db2.gz JCYMVCYPOQTUGS-KOUNCHBCSA-N 2 1 383.580 3.608 20 0 GHADMP COc1cccc(C[NH+]2CCC3(C2)CCN([C@@H]2C[C@H]4CC[C@@H](C2)[N@@H+]4C)CC3)c1 ZINC001169138792 871229402 /nfs/dbraw/zinc/22/94/02/871229402.db2.gz JCYMVCYPOQTUGS-KOUNCHBCSA-N 2 1 383.580 3.608 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000539066642 871241697 /nfs/dbraw/zinc/24/16/97/871241697.db2.gz PIYUMUFFZDGGSH-FZMZJTMJSA-N 2 1 395.263 3.777 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CCS2 ZINC000191498565 882491835 /nfs/dbraw/zinc/49/18/35/882491835.db2.gz OHCYJGGDZPVOGY-JOCHJYFZSA-N 2 1 397.588 3.769 20 0 GHADMP FC(F)(F)c1cc(NCc2ncn3c2C[NH2+]CCC3)[nH+]c2c1CCCCC2 ZINC001169241790 871341263 /nfs/dbraw/zinc/34/12/63/871341263.db2.gz XLQIHDICKBJYNV-UHFFFAOYSA-N 2 1 379.430 3.671 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000447313291 871359356 /nfs/dbraw/zinc/35/93/56/871359356.db2.gz QOGVWYCEOGFPJU-FGZHOGPDSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000447313291 871359376 /nfs/dbraw/zinc/35/93/76/871359376.db2.gz QOGVWYCEOGFPJU-FGZHOGPDSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000447313291 871359394 /nfs/dbraw/zinc/35/93/94/871359394.db2.gz QOGVWYCEOGFPJU-FGZHOGPDSA-N 2 1 392.547 3.705 20 0 GHADMP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001169410000 871456695 /nfs/dbraw/zinc/45/66/95/871456695.db2.gz TZZPNJHZRJMNDE-RBZQAINGSA-N 2 1 382.548 3.686 20 0 GHADMP CC[C@@H](C[N@@H+](CC)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC001169483882 871534402 /nfs/dbraw/zinc/53/44/02/871534402.db2.gz YEBUMWQRHMULHY-SFTDATJTSA-N 2 1 394.563 3.634 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(SC)c1C ZINC000539310969 871668925 /nfs/dbraw/zinc/66/89/25/871668925.db2.gz ULYWPUDCKGOMHY-KRWDZBQOSA-N 2 1 378.586 3.597 20 0 GHADMP CCC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)C(C)(C)C ZINC001194426505 871691152 /nfs/dbraw/zinc/69/11/52/871691152.db2.gz KNLDPDJAKRZBCO-OAQYLSRUSA-N 2 1 389.584 3.534 20 0 GHADMP CCC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C(C)(C)C ZINC001194426505 871691160 /nfs/dbraw/zinc/69/11/60/871691160.db2.gz KNLDPDJAKRZBCO-OAQYLSRUSA-N 2 1 389.584 3.534 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1c2cc(Br)ccc2SC[C@H]1C ZINC000539306732 871700667 /nfs/dbraw/zinc/70/06/67/871700667.db2.gz NGEIOAFKNDURLJ-DYVFJYSZSA-N 2 1 387.387 3.790 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001169669710 871739238 /nfs/dbraw/zinc/73/92/38/871739238.db2.gz VEEVMMYHJFYUSM-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001169669710 871739246 /nfs/dbraw/zinc/73/92/46/871739246.db2.gz VEEVMMYHJFYUSM-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP CC1([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001169758132 871843661 /nfs/dbraw/zinc/84/36/61/871843661.db2.gz UWLQHPGFYOIRGT-HSZRJFAPSA-N 2 1 391.559 3.936 20 0 GHADMP Cc1ccccc1NC(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820934 871848744 /nfs/dbraw/zinc/84/87/44/871848744.db2.gz FPWKXXQKMPNYHQ-UHFFFAOYSA-N 2 1 380.536 3.957 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc2ccccc2[nH]c1=O ZINC000092821577 871848846 /nfs/dbraw/zinc/84/88/46/871848846.db2.gz NUQPPLIDJLUCBR-UHFFFAOYSA-N 2 1 376.504 3.662 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540721093 871998934 /nfs/dbraw/zinc/99/89/34/871998934.db2.gz FBYIDQAIQZSIPO-ZMYBRWDISA-N 2 1 398.954 3.642 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540721093 871998944 /nfs/dbraw/zinc/99/89/44/871998944.db2.gz FBYIDQAIQZSIPO-ZMYBRWDISA-N 2 1 398.954 3.642 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000478048377 872420119 /nfs/dbraw/zinc/42/01/19/872420119.db2.gz VPYRTIPLJRUFNC-CVDCTZTESA-N 2 1 383.580 3.983 20 0 GHADMP C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001129363826 872426346 /nfs/dbraw/zinc/42/63/46/872426346.db2.gz GYIGYWXVJCVYAD-XZOQPEGZSA-N 2 1 391.559 3.808 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[N@@H+]3CCCC[C@H]3C)c2C)cc1 ZINC000463739684 872456813 /nfs/dbraw/zinc/45/68/13/872456813.db2.gz XBVUHJGVIVUXIZ-GOSISDBHSA-N 2 1 384.568 3.911 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[N@H+]3CCCC[C@H]3C)c2C)cc1 ZINC000463739684 872456820 /nfs/dbraw/zinc/45/68/20/872456820.db2.gz XBVUHJGVIVUXIZ-GOSISDBHSA-N 2 1 384.568 3.911 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000540927264 872480472 /nfs/dbraw/zinc/48/04/72/872480472.db2.gz SSWCEWLMSLIHTQ-IBGZPJMESA-N 2 1 380.536 3.599 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)c2C)cc1 ZINC000463748051 872496371 /nfs/dbraw/zinc/49/63/71/872496371.db2.gz DZSLHRZLCOUYTL-OAQYLSRUSA-N 2 1 384.568 3.767 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)c2C)cc1 ZINC000463748051 872496383 /nfs/dbraw/zinc/49/63/83/872496383.db2.gz DZSLHRZLCOUYTL-OAQYLSRUSA-N 2 1 384.568 3.767 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2)cc1 ZINC000552357695 872550234 /nfs/dbraw/zinc/55/02/34/872550234.db2.gz NAUWDHHIHUNCKO-XMMPIXPASA-N 2 1 393.531 3.865 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)c2)cc1 ZINC000552357695 872550243 /nfs/dbraw/zinc/55/02/43/872550243.db2.gz NAUWDHHIHUNCKO-XMMPIXPASA-N 2 1 393.531 3.865 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)c2)cc1 ZINC000552357695 872550251 /nfs/dbraw/zinc/55/02/51/872550251.db2.gz NAUWDHHIHUNCKO-XMMPIXPASA-N 2 1 393.531 3.865 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)c2)cc1 ZINC000552357695 872550259 /nfs/dbraw/zinc/55/02/59/872550259.db2.gz NAUWDHHIHUNCKO-XMMPIXPASA-N 2 1 393.531 3.865 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@@H]1C ZINC000619428824 872640862 /nfs/dbraw/zinc/64/08/62/872640862.db2.gz XMAROVHTUGJUSI-KTGVFUQPSA-N 2 1 384.564 3.855 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(C(=O)OC(C)(C)C)c3)CC2)nc(C)[nH+]1 ZINC000478252024 872734949 /nfs/dbraw/zinc/73/49/49/872734949.db2.gz GMXLPAWEISNPDM-UHFFFAOYSA-N 2 1 396.535 3.807 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CCS2 ZINC000527214669 872821251 /nfs/dbraw/zinc/82/12/51/872821251.db2.gz CNRINNASOWSEOR-YADHBBJMSA-N 2 1 397.588 3.810 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000448240807 873110842 /nfs/dbraw/zinc/11/08/42/873110842.db2.gz MQFAXZORQQQNBY-VWNXMTODSA-N 2 1 377.532 3.591 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(-c2ccccc2)n(C)n1 ZINC000527854617 873672348 /nfs/dbraw/zinc/67/23/48/873672348.db2.gz VHIRVXYUVOJPCQ-GOSISDBHSA-N 2 1 378.520 3.878 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC2(CC1)COCCO2)c1ccccc1 ZINC001197254465 873677083 /nfs/dbraw/zinc/67/70/83/873677083.db2.gz GUOBMQBMSXPGRH-XMMPIXPASA-N 2 1 394.559 3.784 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)n1cccn1 ZINC000527938669 873778765 /nfs/dbraw/zinc/77/87/65/873778765.db2.gz KSYXIFWGKLIWEM-WCIQWLHISA-N 2 1 392.469 3.877 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000541538221 873790831 /nfs/dbraw/zinc/79/08/31/873790831.db2.gz APMVDWHIFTVSGK-QHCPKHFHSA-N 2 1 375.520 3.672 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000541533860 873820723 /nfs/dbraw/zinc/82/07/23/873820723.db2.gz FBDQKNBSQSRXJY-UHFFFAOYSA-N 3 1 389.547 3.920 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000541533860 873820738 /nfs/dbraw/zinc/82/07/38/873820738.db2.gz FBDQKNBSQSRXJY-UHFFFAOYSA-N 2 1 389.547 3.920 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000541533860 873820755 /nfs/dbraw/zinc/82/07/55/873820755.db2.gz FBDQKNBSQSRXJY-UHFFFAOYSA-N 2 1 389.547 3.920 20 0 GHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000541599877 873920186 /nfs/dbraw/zinc/92/01/86/873920186.db2.gz RKWSVJKEKIBTAD-IEBWSBKVSA-N 2 1 378.582 3.611 20 0 GHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000541599877 873920193 /nfs/dbraw/zinc/92/01/93/873920193.db2.gz RKWSVJKEKIBTAD-IEBWSBKVSA-N 2 1 378.582 3.611 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494667739 882781624 /nfs/dbraw/zinc/78/16/24/882781624.db2.gz KGTOZQIGYCBJNN-IMFGXOCKSA-N 2 1 397.485 3.737 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C1=O ZINC000550894647 882792954 /nfs/dbraw/zinc/79/29/54/882792954.db2.gz ITSNYNODTBKODO-JTSKRJEESA-N 2 1 387.543 3.874 20 0 GHADMP CC(C)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000541849472 874376521 /nfs/dbraw/zinc/37/65/21/874376521.db2.gz RZKQACXQANLVLU-ICSRJNTNSA-N 2 1 376.545 3.558 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449186573 874578055 /nfs/dbraw/zinc/57/80/55/874578055.db2.gz KSLQAHKLJBNMLS-WOJBJXKFSA-N 2 1 389.540 3.807 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H](C4CCCC4)C3)CC2)cc1 ZINC001198708306 874599777 /nfs/dbraw/zinc/59/97/77/874599777.db2.gz YCUWLKLEUDVDER-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H](C4CCCC4)C3)CC2)cc1 ZINC001198708306 874599782 /nfs/dbraw/zinc/59/97/82/874599782.db2.gz YCUWLKLEUDVDER-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H](C4CCCC4)C3)CC2)cc1 ZINC001198708306 874599786 /nfs/dbraw/zinc/59/97/86/874599786.db2.gz YCUWLKLEUDVDER-XMMPIXPASA-N 2 1 397.607 3.932 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134316146 882849093 /nfs/dbraw/zinc/84/90/93/882849093.db2.gz XVEAXHFIRDZVCR-SFHVURJKSA-N 2 1 398.364 3.583 20 0 GHADMP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccco2)C1 ZINC000464858449 874657576 /nfs/dbraw/zinc/65/75/76/874657576.db2.gz WJPPXJNEYGJZPY-SIKLNZKXSA-N 2 1 395.547 3.965 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccco2)C1 ZINC000464858449 874657577 /nfs/dbraw/zinc/65/75/77/874657577.db2.gz WJPPXJNEYGJZPY-SIKLNZKXSA-N 2 1 395.547 3.965 20 0 GHADMP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449301781 874691550 /nfs/dbraw/zinc/69/15/50/874691550.db2.gz SPNSFHMKNYBLBL-PXNSSMCTSA-N 2 1 378.582 3.580 20 0 GHADMP CC[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449378202 874794825 /nfs/dbraw/zinc/79/48/25/874794825.db2.gz CZFRYZPEMOPLDZ-QGZVFWFLSA-N 2 1 376.438 3.780 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccc(C(N)=O)cc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413573 874805807 /nfs/dbraw/zinc/80/58/07/874805807.db2.gz JIGJNVIWCRGRMT-QHCPKHFHSA-N 2 1 391.559 3.908 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449492121 874925261 /nfs/dbraw/zinc/92/52/61/874925261.db2.gz BIEPDBJQTOCRSP-QFIPXVFZSA-N 2 1 385.596 3.750 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449492121 874925274 /nfs/dbraw/zinc/92/52/74/874925274.db2.gz BIEPDBJQTOCRSP-QFIPXVFZSA-N 2 1 385.596 3.750 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449492121 874925288 /nfs/dbraw/zinc/92/52/88/874925288.db2.gz BIEPDBJQTOCRSP-QFIPXVFZSA-N 2 1 385.596 3.750 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000449492121 874925296 /nfs/dbraw/zinc/92/52/96/874925296.db2.gz BIEPDBJQTOCRSP-QFIPXVFZSA-N 2 1 385.596 3.750 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH+]ccc1N1CCCC1 ZINC001199373859 874953601 /nfs/dbraw/zinc/95/36/01/874953601.db2.gz XLJGOVFNNCQXET-MZADTFQBSA-N 2 1 390.531 3.607 20 0 GHADMP O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1c[nH+]ccc1N1CCCC1 ZINC001199373859 874953610 /nfs/dbraw/zinc/95/36/10/874953610.db2.gz XLJGOVFNNCQXET-MZADTFQBSA-N 2 1 390.531 3.607 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000465558827 882883036 /nfs/dbraw/zinc/88/30/36/882883036.db2.gz UMZPMPWVJHOFQK-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(Br)c2F)cn1 ZINC001199472344 874994138 /nfs/dbraw/zinc/99/41/38/874994138.db2.gz KOLKCBCQNGYRMY-UHFFFAOYSA-N 2 1 375.245 3.767 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH+](Cc4ccccc4)C[C@@H](C)C3)sc2C1 ZINC000449558921 875044362 /nfs/dbraw/zinc/04/43/62/875044362.db2.gz YRIHOXGRSXHCKS-LJQANCHMSA-N 2 1 398.620 3.864 20 0 GHADMP CC(C)[NH+]1CCc2nc(CN3CC[N@H+](Cc4ccccc4)C[C@@H](C)C3)sc2C1 ZINC000449558921 875044368 /nfs/dbraw/zinc/04/43/68/875044368.db2.gz YRIHOXGRSXHCKS-LJQANCHMSA-N 2 1 398.620 3.864 20 0 GHADMP CC(C)[NH+]1CCc2nc(CN3CC[N@@H+](Cc4ccccc4)C[C@@H](C)C3)sc2C1 ZINC000449558921 875044372 /nfs/dbraw/zinc/04/43/72/875044372.db2.gz YRIHOXGRSXHCKS-LJQANCHMSA-N 2 1 398.620 3.864 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OCC(F)F)cc3)c2)CCO1 ZINC001199668012 875112511 /nfs/dbraw/zinc/11/25/11/875112511.db2.gz UJGNYPIZYDJGKU-QGZVFWFLSA-N 2 1 390.474 3.841 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OCC(F)F)cc3)c2)CCO1 ZINC001199668012 875112517 /nfs/dbraw/zinc/11/25/17/875112517.db2.gz UJGNYPIZYDJGKU-QGZVFWFLSA-N 2 1 390.474 3.841 20 0 GHADMP Cc1ccc(N2CC[C@H]([N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)C2=O)cc1 ZINC000771451376 875252376 /nfs/dbraw/zinc/25/23/76/875252376.db2.gz CGZRDLXLMQAUGM-QHCPKHFHSA-N 2 1 392.547 3.734 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000105442849 875297281 /nfs/dbraw/zinc/29/72/81/875297281.db2.gz JJOGAEFGWHPQJX-ZDUSSCGKSA-N 2 1 376.298 3.656 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000476732292 882946624 /nfs/dbraw/zinc/94/66/24/882946624.db2.gz RFQPVXVSVWSKRC-FQEVSTJZSA-N 2 1 386.584 3.505 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](CC1CCCCC1)CC2 ZINC001201393418 875671357 /nfs/dbraw/zinc/67/13/57/875671357.db2.gz JJCFSSAGOZWVEM-JOCHJYFZSA-N 2 1 378.601 3.796 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001201415339 875677687 /nfs/dbraw/zinc/67/76/87/875677687.db2.gz BWRSGGOTHVSTFE-IMRHEYAYSA-N 2 1 391.575 3.775 20 0 GHADMP CCC[N@H+](Cc1c(C)nn(C)c1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121586690 875724922 /nfs/dbraw/zinc/72/49/22/875724922.db2.gz XMHORWUEJFLUHI-UHFFFAOYSA-N 2 1 390.963 3.670 20 0 GHADMP CCC[N@@H+](Cc1c(C)nn(C)c1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121586690 875724930 /nfs/dbraw/zinc/72/49/30/875724930.db2.gz XMHORWUEJFLUHI-UHFFFAOYSA-N 2 1 390.963 3.670 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000491529038 875761458 /nfs/dbraw/zinc/76/14/58/875761458.db2.gz GGXXJPKLCULDEJ-GCJKJVERSA-N 2 1 375.516 3.681 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000491529038 875761470 /nfs/dbraw/zinc/76/14/70/875761470.db2.gz GGXXJPKLCULDEJ-GCJKJVERSA-N 2 1 375.516 3.681 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000491529040 875762041 /nfs/dbraw/zinc/76/20/41/875762041.db2.gz GGXXJPKLCULDEJ-XMSQKQJNSA-N 2 1 375.516 3.681 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3n(C)c2=O)CC[N@H+]1Cc1ccccc1 ZINC000491529040 875762050 /nfs/dbraw/zinc/76/20/50/875762050.db2.gz GGXXJPKLCULDEJ-XMSQKQJNSA-N 2 1 375.516 3.681 20 0 GHADMP C[C@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1)C[NH+](C)C ZINC000491590811 875848104 /nfs/dbraw/zinc/84/81/04/875848104.db2.gz DYSJGPUBPAPFKT-OAHLLOKOSA-N 2 1 392.341 3.710 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000785504817 876078691 /nfs/dbraw/zinc/07/86/91/876078691.db2.gz XWFKAZGOJZBBPA-DOTOQJQBSA-N 2 1 391.357 3.573 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C(=O)OC)cc1 ZINC000550998915 882994119 /nfs/dbraw/zinc/99/41/19/882994119.db2.gz BQEIXLWUMXIUTA-QFIPXVFZSA-N 2 1 382.504 3.546 20 0 GHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192725068 882998487 /nfs/dbraw/zinc/99/84/87/882998487.db2.gz PTERGWHJMCYQJQ-UHFFFAOYSA-N 2 1 397.611 3.645 20 0 GHADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000450243750 876159709 /nfs/dbraw/zinc/15/97/09/876159709.db2.gz LZGNDSBGVSLXKS-HXUWFJFHSA-N 2 1 379.976 3.599 20 0 GHADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000450243750 876159721 /nfs/dbraw/zinc/15/97/21/876159721.db2.gz LZGNDSBGVSLXKS-HXUWFJFHSA-N 2 1 379.976 3.599 20 0 GHADMP Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N(C)C(C)(C)C[NH3+])c2c1C ZINC001170055314 876475987 /nfs/dbraw/zinc/47/59/87/876475987.db2.gz ALEINQBATMQPQD-UHFFFAOYSA-N 2 1 375.586 3.714 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000858351557 883042166 /nfs/dbraw/zinc/04/21/66/883042166.db2.gz RCZRRZKYNPLGHG-WTGUMLROSA-N 2 1 377.573 3.771 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000173748608 876606891 /nfs/dbraw/zinc/60/68/91/876606891.db2.gz RUUBPLFMPHNCIN-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@H](c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450642305 876699073 /nfs/dbraw/zinc/69/90/73/876699073.db2.gz IMSACKVMKQXRSF-MBOZVWFJSA-N 2 1 383.502 3.810 20 0 GHADMP CN(C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174126829 876845936 /nfs/dbraw/zinc/84/59/36/876845936.db2.gz FDVYGMAJWXLZFE-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000850576257 877044800 /nfs/dbraw/zinc/04/48/00/877044800.db2.gz IODVOYIFGJLNCD-WMZHIEFXSA-N 2 1 392.547 3.607 20 0 GHADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000850584676 877058017 /nfs/dbraw/zinc/05/80/17/877058017.db2.gz SZQFHGYPYIIXMR-UGNRZPKXSA-N 2 1 390.449 3.923 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000174680514 877167819 /nfs/dbraw/zinc/16/78/19/877167819.db2.gz GBUKGWSOXQSDSC-KNQAVFIVSA-N 2 1 386.584 3.543 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000174690463 877178806 /nfs/dbraw/zinc/17/88/06/877178806.db2.gz UJYAVUKLFHBYKN-HKUYNNGSSA-N 2 1 392.613 3.695 20 0 GHADMP FC1(F)CCCC[C@H]1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450982533 877189299 /nfs/dbraw/zinc/18/92/99/877189299.db2.gz LVEBUEMFJKLQEC-LEWJYISDSA-N 2 1 377.523 3.704 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1c[nH+]ccc1N(C)C)[C@@H](C)Cc1ccc(O)cc1 ZINC001183047414 912217774 /nfs/dbraw/zinc/21/77/74/912217774.db2.gz FALANHWQOUEDGU-KRWDZBQOSA-N 2 1 384.524 3.525 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccccc1 ZINC000642619065 912220504 /nfs/dbraw/zinc/22/05/04/912220504.db2.gz CRIFNVNZUYVSCP-PMACEKPBSA-N 2 1 388.943 3.545 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000136746949 877361855 /nfs/dbraw/zinc/36/18/55/877361855.db2.gz PRRREFCWOXQZNC-XZOQPEGZSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCc1cccs1 ZINC000615315453 877631726 /nfs/dbraw/zinc/63/17/26/877631726.db2.gz DXEADZDWDJDFNR-ZWKOTPCHSA-N 2 1 385.577 3.917 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CC[C@H](CO)[C@@H]2CC)c1 ZINC000451276218 877698212 /nfs/dbraw/zinc/69/82/12/877698212.db2.gz ZWSAFZGXVWTHIF-KNGAYFSHSA-N 2 1 394.987 3.526 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)c1 ZINC000451276218 877698216 /nfs/dbraw/zinc/69/82/16/877698216.db2.gz ZWSAFZGXVWTHIF-KNGAYFSHSA-N 2 1 394.987 3.526 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@@H]2CC)c1 ZINC000451276218 877698221 /nfs/dbraw/zinc/69/82/21/877698221.db2.gz ZWSAFZGXVWTHIF-KNGAYFSHSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175645709 877820387 /nfs/dbraw/zinc/82/03/87/877820387.db2.gz PHMYXZPKVYJFAJ-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000245571089 878128434 /nfs/dbraw/zinc/12/84/34/878128434.db2.gz XLFMPYJLAUUEMS-FVELJTHGSA-N 2 1 382.589 3.614 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000788539545 878135199 /nfs/dbraw/zinc/13/51/99/878135199.db2.gz MSEDPWKYANLLSN-QHAWAJNXSA-N 2 1 387.568 3.998 20 0 GHADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000455906953 878174781 /nfs/dbraw/zinc/17/47/81/878174781.db2.gz HSVRRIHYMUCPBE-VGSWGCGISA-N 2 1 380.536 3.878 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000176829595 878429276 /nfs/dbraw/zinc/42/92/76/878429276.db2.gz OHZDAZMKQCCNIH-AMZGXZFVSA-N 2 1 384.568 3.527 20 0 GHADMP C[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852598875 878453484 /nfs/dbraw/zinc/45/34/84/878453484.db2.gz YDARNRPLHBIGFG-IEBWSBKVSA-N 2 1 378.561 3.758 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852598875 878453497 /nfs/dbraw/zinc/45/34/97/878453497.db2.gz YDARNRPLHBIGFG-IEBWSBKVSA-N 2 1 378.561 3.758 20 0 GHADMP CC1(C)C[C@H](O)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](O)CC(C)(C)C3)c2)C1 ZINC000451810469 878501110 /nfs/dbraw/zinc/50/11/10/878501110.db2.gz NZYZOSBRXGDMDW-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](O)CC(C)(C)C3)c2)C1 ZINC000451810469 878501121 /nfs/dbraw/zinc/50/11/21/878501121.db2.gz NZYZOSBRXGDMDW-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](O)CC(C)(C)C3)c2)C1 ZINC000451810469 878501136 /nfs/dbraw/zinc/50/11/36/878501136.db2.gz NZYZOSBRXGDMDW-SZPZYZBQSA-N 2 1 388.596 3.652 20 0 GHADMP C(CCCC[NH+]1CC[C@@H]2COC[C@@H]2C1)CCCC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852664763 878502631 /nfs/dbraw/zinc/50/26/31/878502631.db2.gz CUBHRCOSRMUTMJ-ODAXIHTASA-N 2 1 378.601 3.654 20 0 GHADMP C(CCCC[NH+]1CC[C@@H]2COC[C@H]2C1)CCCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664763 878502651 /nfs/dbraw/zinc/50/26/51/878502651.db2.gz CUBHRCOSRMUTMJ-ODAXIHTASA-N 2 1 378.601 3.654 20 0 GHADMP C(CCCC[NH+]1CC[C@@H]2COC[C@H]2C1)CCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664763 878502667 /nfs/dbraw/zinc/50/26/67/878502667.db2.gz CUBHRCOSRMUTMJ-ODAXIHTASA-N 2 1 378.601 3.654 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000537953422 878578236 /nfs/dbraw/zinc/57/82/36/878578236.db2.gz SPJRUDXYLACACV-QFBILLFUSA-N 2 1 393.453 3.979 20 0 GHADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C1 ZINC000530821865 878591553 /nfs/dbraw/zinc/59/15/53/878591553.db2.gz WJHSEBDIMJHXGO-XUZZJYLKSA-N 2 1 393.575 3.878 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C1 ZINC000530821865 878591566 /nfs/dbraw/zinc/59/15/66/878591566.db2.gz WJHSEBDIMJHXGO-XUZZJYLKSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000537990371 878634660 /nfs/dbraw/zinc/63/46/60/878634660.db2.gz KPNBUQKXAKVOPA-MBSDFSHPSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)NC2CC2)c1 ZINC000537990371 878634671 /nfs/dbraw/zinc/63/46/71/878634671.db2.gz KPNBUQKXAKVOPA-MBSDFSHPSA-N 2 1 377.532 3.579 20 0 GHADMP CC(C)(C)OC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853092935 878810467 /nfs/dbraw/zinc/81/04/67/878810467.db2.gz VYEGCGYSLURWBK-SKINQDTJSA-N 2 1 379.589 3.782 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000530952937 878833358 /nfs/dbraw/zinc/83/33/58/878833358.db2.gz UVNYQHWFQQZMSI-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(-n2cccn2)cc1 ZINC000530952937 878833371 /nfs/dbraw/zinc/83/33/71/878833371.db2.gz UVNYQHWFQQZMSI-UHFFFAOYSA-N 3 1 395.595 3.500 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(-n2cccn2)cc1 ZINC000530952937 878833379 /nfs/dbraw/zinc/83/33/79/878833379.db2.gz UVNYQHWFQQZMSI-UHFFFAOYSA-N 3 1 395.595 3.500 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000246176908 879112809 /nfs/dbraw/zinc/11/28/09/879112809.db2.gz JWCVVJOOSLSDBG-VAMGGRTRSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC2(C[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC001183283013 912426714 /nfs/dbraw/zinc/42/67/14/912426714.db2.gz YUIPQMMGMGASFB-IXLJZWBNSA-N 2 1 399.579 3.790 20 0 GHADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000789770413 879250865 /nfs/dbraw/zinc/25/08/65/879250865.db2.gz XDBAZWHZXBRNIL-GOSISDBHSA-N 2 1 397.519 3.777 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000538389646 879404718 /nfs/dbraw/zinc/40/47/18/879404718.db2.gz XRFSEGUJJXOBOX-OAQYLSRUSA-N 2 1 379.548 3.689 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]C[C@@H]2CCc3ccccc32)c1)C1CCOCC1 ZINC000790047662 879425596 /nfs/dbraw/zinc/42/55/96/879425596.db2.gz ATKVLVADEKCNBV-QFIPXVFZSA-N 2 1 394.559 3.996 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854109061 879546691 /nfs/dbraw/zinc/54/66/91/879546691.db2.gz PXGWLBIJLMORNU-UHFFFAOYSA-N 2 1 379.483 3.828 20 0 GHADMP O=C(c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1)N1CCCCC1 ZINC000246489770 879616070 /nfs/dbraw/zinc/61/60/70/879616070.db2.gz HAOALKICNODXCQ-GMAHTHKFSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1)N1CCCCC1 ZINC000246489770 879616077 /nfs/dbraw/zinc/61/60/77/879616077.db2.gz HAOALKICNODXCQ-GMAHTHKFSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1)N1CCCCC1 ZINC000246489770 879616081 /nfs/dbraw/zinc/61/60/81/879616081.db2.gz HAOALKICNODXCQ-GMAHTHKFSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1)N1CCCCC1 ZINC000246489770 879616085 /nfs/dbraw/zinc/61/60/85/879616085.db2.gz HAOALKICNODXCQ-GMAHTHKFSA-N 2 1 381.564 3.761 20 0 GHADMP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000531339240 879653643 /nfs/dbraw/zinc/65/36/43/879653643.db2.gz XJQRMKFWODUWKY-FQEVSTJZSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000531339240 879653652 /nfs/dbraw/zinc/65/36/52/879653652.db2.gz XJQRMKFWODUWKY-FQEVSTJZSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000531339240 879653657 /nfs/dbraw/zinc/65/36/57/879653657.db2.gz XJQRMKFWODUWKY-FQEVSTJZSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000531339240 879653664 /nfs/dbraw/zinc/65/36/64/879653664.db2.gz XJQRMKFWODUWKY-FQEVSTJZSA-N 2 1 375.532 3.513 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000246546554 879667651 /nfs/dbraw/zinc/66/76/51/879667651.db2.gz QSASQJBJXAPBBZ-YMPZKCBVSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1cccc2ccccc21 ZINC000246964477 879865849 /nfs/dbraw/zinc/86/58/49/879865849.db2.gz OJEIZWVTZTWHAD-BNUXRISVSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1cccc2ccccc21 ZINC000246964477 879865870 /nfs/dbraw/zinc/86/58/70/879865870.db2.gz OJEIZWVTZTWHAD-BNUXRISVSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc2ccccc21 ZINC000246964477 879865885 /nfs/dbraw/zinc/86/58/85/879865885.db2.gz OJEIZWVTZTWHAD-BNUXRISVSA-N 2 1 379.548 3.822 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1cccc2ccccc21 ZINC000246964477 879865907 /nfs/dbraw/zinc/86/59/07/879865907.db2.gz OJEIZWVTZTWHAD-BNUXRISVSA-N 2 1 379.548 3.822 20 0 GHADMP c1ccc([C@@H]2CC[NH+](CC3(C[N@H+]4CC[C@@H](c5ccccc5)C4)COC3)C2)cc1 ZINC000247016353 879885290 /nfs/dbraw/zinc/88/52/90/879885290.db2.gz UJVGQBVLJSCPKF-DNQXCXABSA-N 2 1 376.544 3.982 20 0 GHADMP C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247035621 879894839 /nfs/dbraw/zinc/89/48/39/879894839.db2.gz RNDOLEYAXKMHBD-NJDAHSKKSA-N 2 1 383.580 3.546 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000247072607 879907708 /nfs/dbraw/zinc/90/77/08/879907708.db2.gz QHAQYXLWBBNWTA-GBXCKJPGSA-N 2 1 380.580 3.922 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000247122733 879923528 /nfs/dbraw/zinc/92/35/28/879923528.db2.gz YXDURSFXQHGNGG-FSSWDIPSSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000247122733 879923539 /nfs/dbraw/zinc/92/35/39/879923539.db2.gz YXDURSFXQHGNGG-FSSWDIPSSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000247122733 879923541 /nfs/dbraw/zinc/92/35/41/879923541.db2.gz YXDURSFXQHGNGG-FSSWDIPSSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247558373 880024930 /nfs/dbraw/zinc/02/49/30/880024930.db2.gz RHMDOIZBZBYOBJ-ZSJMHYJMSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000247558373 880024946 /nfs/dbraw/zinc/02/49/46/880024946.db2.gz RHMDOIZBZBYOBJ-ZSJMHYJMSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000247558373 880024957 /nfs/dbraw/zinc/02/49/57/880024957.db2.gz RHMDOIZBZBYOBJ-ZSJMHYJMSA-N 2 1 398.595 3.746 20 0 GHADMP c1cnn(-c2ncccc2C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183128291 880060046 /nfs/dbraw/zinc/06/00/46/880060046.db2.gz UVIVKQSFDRSQDE-ZRBLBEILSA-N 2 1 387.531 3.658 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC000531682036 880313830 /nfs/dbraw/zinc/31/38/30/880313830.db2.gz IWXVJFKLHUDCAE-HSZRJFAPSA-N 2 1 377.532 3.705 20 0 GHADMP Cc1ccc(C)c(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000184751881 880373375 /nfs/dbraw/zinc/37/33/75/880373375.db2.gz WLMXVKZYGFRJLQ-PMACEKPBSA-N 2 1 379.548 3.988 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC(=O)Nc3ccc(F)cc3)CCCC2)CC1 ZINC000531720273 880376903 /nfs/dbraw/zinc/37/69/03/880376903.db2.gz XSCOMGSIWJPKGU-KRWDZBQOSA-N 2 1 391.531 3.556 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc(-c2ccccc2)n1C ZINC000453055870 880406123 /nfs/dbraw/zinc/40/61/23/880406123.db2.gz BGYPMGWZJFCSJR-GOSISDBHSA-N 2 1 378.520 3.878 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(I)c2)CC1 ZINC000453076372 880425983 /nfs/dbraw/zinc/42/59/83/880425983.db2.gz HNSNPZJXMCVYAW-LLVKDONJSA-N 2 1 376.257 3.565 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1SC ZINC000185018428 880449696 /nfs/dbraw/zinc/44/96/96/880449696.db2.gz ZBNXCOVQJFCVKL-KRWDZBQOSA-N 2 1 378.586 3.597 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453107268 880474180 /nfs/dbraw/zinc/47/41/80/880474180.db2.gz ICRZAMGIIDPWBL-WXFUMESZSA-N 2 1 399.623 3.909 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453107268 880474189 /nfs/dbraw/zinc/47/41/89/880474189.db2.gz ICRZAMGIIDPWBL-WXFUMESZSA-N 2 1 399.623 3.909 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453107268 880474198 /nfs/dbraw/zinc/47/41/98/880474198.db2.gz ICRZAMGIIDPWBL-WXFUMESZSA-N 2 1 399.623 3.909 20 0 GHADMP c1ncn(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)cc2)n1 ZINC000453109387 880477560 /nfs/dbraw/zinc/47/75/60/880477560.db2.gz PKTQAVIQWNGRRG-SGNDLWITSA-N 2 1 387.531 3.800 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)CC2)n[nH]1 ZINC000453214841 880631305 /nfs/dbraw/zinc/63/13/05/880631305.db2.gz IBKKVLMLXRUGAM-DNVJHFABSA-N 2 1 393.579 3.720 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1)C(N)=O ZINC000453273581 880757104 /nfs/dbraw/zinc/75/71/04/880757104.db2.gz FVIMFXXTOPREER-DXBBTUNJSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1)C(N)=O ZINC000453273581 880757113 /nfs/dbraw/zinc/75/71/13/880757113.db2.gz FVIMFXXTOPREER-DXBBTUNJSA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1)C(N)=O ZINC000453273581 880757122 /nfs/dbraw/zinc/75/71/22/880757122.db2.gz FVIMFXXTOPREER-DXBBTUNJSA-N 2 1 383.580 3.511 20 0 GHADMP CC[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000531941263 880799347 /nfs/dbraw/zinc/79/93/47/880799347.db2.gz YEJQWWZYVRCDJP-GDBMZVCRSA-N 2 1 387.446 3.766 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCO1 ZINC000453364581 880846439 /nfs/dbraw/zinc/84/64/39/880846439.db2.gz VIIJCTKQFACYPJ-NBTNLBJRSA-N 2 1 394.563 3.673 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453403560 880870260 /nfs/dbraw/zinc/87/02/60/880870260.db2.gz GWKZCZICURBRFY-OUJCMCIWSA-N 2 1 391.559 3.519 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453403560 880870269 /nfs/dbraw/zinc/87/02/69/880870269.db2.gz GWKZCZICURBRFY-OUJCMCIWSA-N 2 1 391.559 3.519 20 0 GHADMP CC(C)Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000532041490 880970790 /nfs/dbraw/zinc/97/07/90/880970790.db2.gz QJDPARMOVZFYOR-DEOSSOPVSA-N 2 1 393.575 3.872 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000532046509 880989046 /nfs/dbraw/zinc/98/90/46/880989046.db2.gz UCRVYXXPQOZMDH-UHFFFAOYSA-N 2 1 381.564 3.870 20 0 GHADMP CCOc1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccc1OC(=O)CC ZINC001183532193 912640756 /nfs/dbraw/zinc/64/07/56/912640756.db2.gz CCZCCPPMLHMCAS-KRWDZBQOSA-N 2 1 383.492 3.506 20 0 GHADMP CCOc1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)ccc1OC(=O)CC ZINC001183532193 912640744 /nfs/dbraw/zinc/64/07/44/912640744.db2.gz CCZCCPPMLHMCAS-KRWDZBQOSA-N 2 1 383.492 3.506 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000057843937 881165954 /nfs/dbraw/zinc/16/59/54/881165954.db2.gz SLKSSRPQQGGVFK-UHFFFAOYSA-N 2 1 386.927 3.518 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000057843937 881165967 /nfs/dbraw/zinc/16/59/67/881165967.db2.gz SLKSSRPQQGGVFK-UHFFFAOYSA-N 2 1 386.927 3.518 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001129677091 883118595 /nfs/dbraw/zinc/11/85/95/883118595.db2.gz BXPGDMWIXBEWIF-FCHUYYIVSA-N 2 1 397.538 3.688 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cn(-c2ccccc2)nn1 ZINC000181338423 883140266 /nfs/dbraw/zinc/14/02/66/883140266.db2.gz WJKXJDHNVCRITO-ZWKOTPCHSA-N 2 1 379.508 3.620 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704661 883173886 /nfs/dbraw/zinc/17/38/86/883173886.db2.gz OTXMWDJGNDOWME-TZIWHRDSSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704661 883173890 /nfs/dbraw/zinc/17/38/90/883173890.db2.gz OTXMWDJGNDOWME-TZIWHRDSSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704661 883173902 /nfs/dbraw/zinc/17/39/02/883173902.db2.gz OTXMWDJGNDOWME-TZIWHRDSSA-N 2 1 377.617 3.858 20 0 GHADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000537694409 883205513 /nfs/dbraw/zinc/20/55/13/883205513.db2.gz KHVAZAMNIZPHRJ-SVFBPWRDSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000537694409 883205530 /nfs/dbraw/zinc/20/55/30/883205530.db2.gz KHVAZAMNIZPHRJ-SVFBPWRDSA-N 2 1 376.541 3.558 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000537696410 883396937 /nfs/dbraw/zinc/39/69/37/883396937.db2.gz GIIXEGKZXYCKDX-BHIFYINESA-N 2 1 396.579 3.853 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000537696410 883396957 /nfs/dbraw/zinc/39/69/57/883396957.db2.gz GIIXEGKZXYCKDX-BHIFYINESA-N 2 1 396.579 3.853 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476973544 883511066 /nfs/dbraw/zinc/51/10/66/883511066.db2.gz NRFLVUBLIBMYLF-KRWDZBQOSA-N 2 1 391.522 3.762 20 0 GHADMP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476973544 883511075 /nfs/dbraw/zinc/51/10/75/883511075.db2.gz NRFLVUBLIBMYLF-KRWDZBQOSA-N 2 1 391.522 3.762 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C(C)(C)O1 ZINC000551263753 883572232 /nfs/dbraw/zinc/57/22/32/883572232.db2.gz DNWWROCANQGSAR-RTWAWAEBSA-N 2 1 386.580 3.851 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465559131 883637905 /nfs/dbraw/zinc/63/79/05/883637905.db2.gz XNQBDFWWRZBWSM-JOCHJYFZSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465559131 883637911 /nfs/dbraw/zinc/63/79/11/883637911.db2.gz XNQBDFWWRZBWSM-JOCHJYFZSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465559131 883637919 /nfs/dbraw/zinc/63/79/19/883637919.db2.gz XNQBDFWWRZBWSM-JOCHJYFZSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C(C)C ZINC000551321611 883659483 /nfs/dbraw/zinc/65/94/83/883659483.db2.gz ONGSENNFLBJCGI-HZPDHXFCSA-N 2 1 379.511 3.520 20 0 GHADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000859214940 883669542 /nfs/dbraw/zinc/66/95/42/883669542.db2.gz VKUPLPSHGZDWOQ-SFHVURJKSA-N 2 1 396.535 3.534 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000465434679 883753605 /nfs/dbraw/zinc/75/36/05/883753605.db2.gz RPCWBPDQPWHIIO-CTNGQTDRSA-N 2 1 396.579 3.958 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000187264013 883773314 /nfs/dbraw/zinc/77/33/14/883773314.db2.gz XMIQXUBFQDYFAN-XMSQKQJNSA-N 2 1 383.561 3.830 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)ccc21 ZINC000187264013 883773316 /nfs/dbraw/zinc/77/33/16/883773316.db2.gz XMIQXUBFQDYFAN-XMSQKQJNSA-N 2 1 383.561 3.830 20 0 GHADMP CN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006396 /nfs/dbraw/zinc/00/63/96/884006396.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 2 1 393.575 3.568 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006415 /nfs/dbraw/zinc/00/64/15/884006415.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006431 /nfs/dbraw/zinc/00/64/31/884006431.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 3 1 393.575 3.568 20 0 GHADMP C[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006446 /nfs/dbraw/zinc/00/64/46/884006446.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 3 1 393.575 3.568 20 0 GHADMP C[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006465 /nfs/dbraw/zinc/00/64/65/884006465.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 3 1 393.575 3.568 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000194953107 884006371 /nfs/dbraw/zinc/00/63/71/884006371.db2.gz LXGWIIALACTMRP-LJQANCHMSA-N 2 1 380.964 3.506 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000556206446 884091067 /nfs/dbraw/zinc/09/10/67/884091067.db2.gz NOEMRNIKCOXTNN-HSZRJFAPSA-N 2 1 383.580 3.730 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)[C@H](c2ccccc2)C1 ZINC000806130733 884388541 /nfs/dbraw/zinc/38/85/41/884388541.db2.gz BMJIOWZRIYRMCS-CTNGQTDRSA-N 2 1 384.955 3.691 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000495054153 884456126 /nfs/dbraw/zinc/45/61/26/884456126.db2.gz RLXLRENJCHSMGT-SZVBFZGTSA-N 2 1 397.485 3.735 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000495054153 884456130 /nfs/dbraw/zinc/45/61/30/884456130.db2.gz RLXLRENJCHSMGT-SZVBFZGTSA-N 2 1 397.485 3.735 20 0 GHADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455870760 884642608 /nfs/dbraw/zinc/64/26/08/884642608.db2.gz XJTZVZMHVIGUCJ-HTAPYJJXSA-N 2 1 380.536 3.878 20 0 GHADMP C[NH+](C)CC1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000498530192 884750761 /nfs/dbraw/zinc/75/07/61/884750761.db2.gz UOUQKKHPOYXSJQ-UHFFFAOYSA-N 2 1 379.548 3.732 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000460345448 884953813 /nfs/dbraw/zinc/95/38/13/884953813.db2.gz GSOIUAORJDJGOL-PMACEKPBSA-N 2 1 391.559 3.712 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001168193682 885289888 /nfs/dbraw/zinc/28/98/88/885289888.db2.gz QNJNSWQANOYCPN-FUHWJXTLSA-N 2 1 378.944 3.620 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001168193682 885289930 /nfs/dbraw/zinc/28/99/30/885289930.db2.gz QNJNSWQANOYCPN-FUHWJXTLSA-N 2 1 378.944 3.620 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000130904166 885322107 /nfs/dbraw/zinc/32/21/07/885322107.db2.gz POAISZSZCCTAFB-LJQANCHMSA-N 2 1 376.504 3.682 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000130904166 885322125 /nfs/dbraw/zinc/32/21/25/885322125.db2.gz POAISZSZCCTAFB-LJQANCHMSA-N 2 1 376.504 3.682 20 0 GHADMP Brc1cncc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000655766092 885331520 /nfs/dbraw/zinc/33/15/20/885331520.db2.gz MKOIPJMTYVBFFB-MOPGFXCFSA-N 2 1 394.357 3.528 20 0 GHADMP C[C@@H](CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001126789763 885437906 /nfs/dbraw/zinc/43/79/06/885437906.db2.gz DDAXAXKUVSRWEC-UWJYYQICSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@@H](CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC001126789763 885437910 /nfs/dbraw/zinc/43/79/10/885437910.db2.gz DDAXAXKUVSRWEC-UWJYYQICSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000532442378 885451354 /nfs/dbraw/zinc/45/13/54/885451354.db2.gz ZPXQLSPEBJERSS-DOTOQJQBSA-N 2 1 395.519 3.989 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000556608909 885665368 /nfs/dbraw/zinc/66/53/68/885665368.db2.gz LJNXWMBGMAGBKM-HYBUGGRVSA-N 2 1 394.559 3.704 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000556608908 885665560 /nfs/dbraw/zinc/66/55/60/885665560.db2.gz LJNXWMBGMAGBKM-GBXCKJPGSA-N 2 1 394.559 3.704 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495444921 885830400 /nfs/dbraw/zinc/83/04/00/885830400.db2.gz OBJVOSSSOOHYQN-QEFHDYNCSA-N 2 1 391.559 3.676 20 0 GHADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000108712796 885845247 /nfs/dbraw/zinc/84/52/47/885845247.db2.gz UKUSFVFBQPFDOK-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000108712796 885845259 /nfs/dbraw/zinc/84/52/59/885845259.db2.gz UKUSFVFBQPFDOK-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000108712796 885845269 /nfs/dbraw/zinc/84/52/69/885845269.db2.gz UKUSFVFBQPFDOK-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4C[N@H+]5CCC[C@H]5CO4)n3)cc2)CC1 ZINC000923824808 885998494 /nfs/dbraw/zinc/99/84/94/885998494.db2.gz IUTGTFHUMFEOIF-VQTJNVASSA-N 2 1 382.508 3.504 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001168203274 886009174 /nfs/dbraw/zinc/00/91/74/886009174.db2.gz XAAOQRHLSCWSEW-UHFFFAOYSA-N 2 1 382.552 3.873 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N1CC(C)(C)[N@@H+](Cc2ccccc2)CC1(C)C ZINC001168203274 886009183 /nfs/dbraw/zinc/00/91/83/886009183.db2.gz XAAOQRHLSCWSEW-UHFFFAOYSA-N 2 1 382.552 3.873 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001168318600 886146987 /nfs/dbraw/zinc/14/69/87/886146987.db2.gz DBJCTGDCDTVJCU-WIXQSORDSA-N 2 1 375.582 3.549 20 0 GHADMP CSCC[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)C(C)(C)O ZINC001168213934 886150019 /nfs/dbraw/zinc/15/00/19/886150019.db2.gz PSHOLJRBMGHYMS-QFBILLFUSA-N 2 1 376.570 3.655 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000919718182 886213955 /nfs/dbraw/zinc/21/39/55/886213955.db2.gz AJRMDVFUQOMPGP-UHFFFAOYSA-N 2 1 396.347 3.949 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000118832815 886278787 /nfs/dbraw/zinc/27/87/87/886278787.db2.gz CYZZPDUUOWLTJX-QFIPXVFZSA-N 2 1 396.579 3.943 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000118832815 886278806 /nfs/dbraw/zinc/27/88/06/886278806.db2.gz CYZZPDUUOWLTJX-QFIPXVFZSA-N 2 1 396.579 3.943 20 0 GHADMP COc1ccc([C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+]2CCCCC2)cc1 ZINC000118756823 886309476 /nfs/dbraw/zinc/30/94/76/886309476.db2.gz OVGDOUCEMUVTHW-OAQYLSRUSA-N 2 1 398.551 3.749 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000287012112 913032291 /nfs/dbraw/zinc/03/22/91/913032291.db2.gz NOOCGEUTINDLNA-UHFFFAOYSA-N 2 1 390.597 3.575 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2CCC([NH+](C)C)CC2)CC3)c1 ZINC001168321085 886334099 /nfs/dbraw/zinc/33/40/99/886334099.db2.gz DADZDGRNFUIBRL-UHFFFAOYSA-N 3 1 385.596 3.856 20 0 GHADMP CC[NH+](CC)[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)c1cccc(OC)c1 ZINC000119060165 886397893 /nfs/dbraw/zinc/39/78/93/886397893.db2.gz LTMGFHDILBGJGN-XMMPIXPASA-N 2 1 396.579 3.727 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC001168252764 886785750 /nfs/dbraw/zinc/78/57/50/886785750.db2.gz SZFJOMDRXHMBCU-UHFFFAOYSA-N 2 1 396.959 3.697 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459248549 886814482 /nfs/dbraw/zinc/81/44/82/886814482.db2.gz DLVNKMQESUWVDE-SFHVURJKSA-N 2 1 383.540 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459248549 886814507 /nfs/dbraw/zinc/81/45/07/886814507.db2.gz DLVNKMQESUWVDE-SFHVURJKSA-N 2 1 383.540 3.908 20 0 GHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000236784606 886883974 /nfs/dbraw/zinc/88/39/74/886883974.db2.gz ITLYIPLGVGSTPM-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000236784606 886883987 /nfs/dbraw/zinc/88/39/87/886883987.db2.gz ITLYIPLGVGSTPM-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000762915620 887087911 /nfs/dbraw/zinc/08/79/11/887087911.db2.gz BHPYDDBIQGHFBG-MOPGFXCFSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000762915620 887087924 /nfs/dbraw/zinc/08/79/24/887087924.db2.gz BHPYDDBIQGHFBG-MOPGFXCFSA-N 2 1 376.545 3.693 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000119517173 887190918 /nfs/dbraw/zinc/19/09/18/887190918.db2.gz NNLYCISCMLKIGI-FRIKZZABSA-N 2 1 396.531 3.963 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000119517173 887190926 /nfs/dbraw/zinc/19/09/26/887190926.db2.gz NNLYCISCMLKIGI-FRIKZZABSA-N 2 1 396.531 3.963 20 0 GHADMP CCN(c1ccc(NC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1)C(C)C ZINC000809277803 887264666 /nfs/dbraw/zinc/26/46/66/887264666.db2.gz BFBNOTIKAHBMJI-UHFFFAOYSA-N 2 1 396.539 3.712 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000536593555 887416928 /nfs/dbraw/zinc/41/69/28/887416928.db2.gz OBZPHQLSGNMRSK-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP CC1CC[NH+](CCCC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809606467 887577218 /nfs/dbraw/zinc/57/72/18/887577218.db2.gz SOVHIRUSSYUSCK-UHFFFAOYSA-N 2 1 379.346 3.699 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000809720058 887743232 /nfs/dbraw/zinc/74/32/32/887743232.db2.gz WRRLZRZYPLMCOB-OAQYLSRUSA-N 2 1 397.523 3.599 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184405739 913192827 /nfs/dbraw/zinc/19/28/27/913192827.db2.gz WTHAPUWREPYOOK-MOMVYJMYSA-N 2 1 391.987 3.789 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000054539983 887997845 /nfs/dbraw/zinc/99/78/45/887997845.db2.gz CRNAIBPHQDYBPJ-GIVPXCGWSA-N 2 1 396.535 3.551 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc4c(F)cccc4c3)CC2)oc1C ZINC000865459184 888365793 /nfs/dbraw/zinc/36/57/93/888365793.db2.gz ZXUCAIRQQUKPLE-UHFFFAOYSA-N 2 1 382.483 3.981 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000459374635 888370386 /nfs/dbraw/zinc/37/03/86/888370386.db2.gz VHMURVWYTFWGKJ-MRXNPFEDSA-N 2 1 388.531 3.677 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CC[NH+](C4CCC4)CC3)cc2)C1 ZINC000454324350 888794113 /nfs/dbraw/zinc/79/41/13/888794113.db2.gz VNIQJSHIRUAWDT-LJQANCHMSA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+]1CCN(C2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)CC1 ZINC000866590145 888953899 /nfs/dbraw/zinc/95/38/99/888953899.db2.gz NEQHDVJTQWLKGG-HXUWFJFHSA-N 2 1 392.385 3.538 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702935 889012797 /nfs/dbraw/zinc/01/27/97/889012797.db2.gz DYOJWGWJLPHOGR-HSZRJFAPSA-N 2 1 397.567 3.515 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000123631664 889351652 /nfs/dbraw/zinc/35/16/52/889351652.db2.gz YYYFZGNDHMALES-AABGKKOBSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000123631664 889351666 /nfs/dbraw/zinc/35/16/66/889351666.db2.gz YYYFZGNDHMALES-AABGKKOBSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[NH+]1C ZINC000123631664 889351678 /nfs/dbraw/zinc/35/16/78/889351678.db2.gz YYYFZGNDHMALES-AABGKKOBSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[NH+]1C ZINC000123631664 889351689 /nfs/dbraw/zinc/35/16/89/889351689.db2.gz YYYFZGNDHMALES-AABGKKOBSA-N 2 1 384.520 3.633 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530891 913344682 /nfs/dbraw/zinc/34/46/82/913344682.db2.gz RRBGGXSTNCRGNZ-XZOQPEGZSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000124989299 889838872 /nfs/dbraw/zinc/83/88/72/889838872.db2.gz WZYUGRUEPPPLSP-FQEVSTJZSA-N 2 1 395.547 3.815 20 0 GHADMP [NH3+]C1CCC(N(c2nc(NCC3CC3)cc[nH+]2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170640539 889857571 /nfs/dbraw/zinc/85/75/71/889857571.db2.gz LFIKGYQSGHRYDL-NSKBAKJYSA-N 2 1 377.536 3.931 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000533412222 890484966 /nfs/dbraw/zinc/48/49/66/890484966.db2.gz FTLLVBPSVKBFBS-UHFFFAOYSA-N 2 1 387.474 3.747 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000533412222 890484972 /nfs/dbraw/zinc/48/49/72/890484972.db2.gz FTLLVBPSVKBFBS-UHFFFAOYSA-N 2 1 387.474 3.747 20 0 GHADMP Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000533412454 890490383 /nfs/dbraw/zinc/49/03/83/890490383.db2.gz LDPLTTVRWLNGLJ-SFHVURJKSA-N 2 1 385.577 3.658 20 0 GHADMP Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000533412454 890490394 /nfs/dbraw/zinc/49/03/94/890490394.db2.gz LDPLTTVRWLNGLJ-SFHVURJKSA-N 2 1 385.577 3.658 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890305 890566860 /nfs/dbraw/zinc/56/68/60/890566860.db2.gz LFBMNKCMZSGSCS-PSBWJHGTSA-N 2 1 397.485 3.722 20 0 GHADMP c1ccc([C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]3CCOC[C@H]23)cc1 ZINC000420970256 890586274 /nfs/dbraw/zinc/58/62/74/890586274.db2.gz ZUBRRFUBVGRQQA-ISJGIBHGSA-N 2 1 392.543 3.523 20 0 GHADMP c1ccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)[C@@H]3CCOC[C@H]23)cc1 ZINC000420970256 890586287 /nfs/dbraw/zinc/58/62/87/890586287.db2.gz ZUBRRFUBVGRQQA-ISJGIBHGSA-N 2 1 392.543 3.523 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126547298 890587849 /nfs/dbraw/zinc/58/78/49/890587849.db2.gz XKYIWRKIBABAST-QHCPKHFHSA-N 2 1 385.596 3.786 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CSCCc4ccccc43)cc2)CC1 ZINC000126730540 890668978 /nfs/dbraw/zinc/66/89/78/890668978.db2.gz LITWWNJISXLSRL-QHCPKHFHSA-N 2 1 381.589 3.554 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccsc1 ZINC000533617722 890944088 /nfs/dbraw/zinc/94/40/88/890944088.db2.gz XIODUMYOGIUYML-LJQANCHMSA-N 2 1 388.581 3.561 20 0 GHADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000871786131 891010788 /nfs/dbraw/zinc/01/07/88/891010788.db2.gz RATJJTPMAMTKMM-BPZRQAJTSA-N 2 1 389.887 3.822 20 0 GHADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000871786131 891010803 /nfs/dbraw/zinc/01/08/03/891010803.db2.gz RATJJTPMAMTKMM-BPZRQAJTSA-N 2 1 389.887 3.822 20 0 GHADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1)C1CCCC1 ZINC000872157783 891185618 /nfs/dbraw/zinc/18/56/18/891185618.db2.gz RAMMRQIWVFMODC-YOEHRIQHSA-N 2 1 386.462 3.537 20 0 GHADMP [NH3+]C1(Cc2nc(-c3c[nH]c4ccccc34)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872181044 891205065 /nfs/dbraw/zinc/20/50/65/891205065.db2.gz YVFZBGHTXSVHKG-UHFFFAOYSA-N 2 1 387.487 3.754 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000455561797 891217936 /nfs/dbraw/zinc/21/79/36/891217936.db2.gz NKDDEBUNOGVEBV-TZIWHRDSSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)[nH+]1 ZINC000128079925 891404178 /nfs/dbraw/zinc/40/41/78/891404178.db2.gz ZDSJNPCSUXITDD-LJQANCHMSA-N 3 1 382.552 3.650 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000128084593 891405725 /nfs/dbraw/zinc/40/57/25/891405725.db2.gz ZSUPSBMCXCBRCO-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1sc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Br ZINC000873103138 891470709 /nfs/dbraw/zinc/47/07/09/891470709.db2.gz XTFATVYHVVSBOC-INIZCTEOSA-N 2 1 395.366 3.675 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000873227554 891532689 /nfs/dbraw/zinc/53/26/89/891532689.db2.gz JDXAZJZTLURVMO-SMDDNHRTSA-N 2 1 392.347 3.665 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000873227554 891532695 /nfs/dbraw/zinc/53/26/95/891532695.db2.gz JDXAZJZTLURVMO-SMDDNHRTSA-N 2 1 392.347 3.665 20 0 GHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000497449002 891612404 /nfs/dbraw/zinc/61/24/04/891612404.db2.gz YDQAYBGTCWDMSL-JOCHJYFZSA-N 2 1 385.577 3.721 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116567496 891616296 /nfs/dbraw/zinc/61/62/96/891616296.db2.gz YCLGSPMBFQZZSO-AABGKKOBSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccnc(OCC[NH+](C)C)c3)cc2)C1 ZINC000497635606 892048774 /nfs/dbraw/zinc/04/87/74/892048774.db2.gz APZDATOEFYFHIS-GOSISDBHSA-N 2 1 396.535 3.506 20 0 GHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)ccn2)c1C ZINC000261947791 892174328 /nfs/dbraw/zinc/17/43/28/892174328.db2.gz NUPUBFPGKVLOBS-PWRODBHTSA-N 2 1 381.520 3.737 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC001137088437 892539854 /nfs/dbraw/zinc/53/98/54/892539854.db2.gz WXMKTXZQODNWQM-XZDHIHRUSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC001137088437 892539858 /nfs/dbraw/zinc/53/98/58/892539858.db2.gz WXMKTXZQODNWQM-XZDHIHRUSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC001137088437 892539861 /nfs/dbraw/zinc/53/98/61/892539861.db2.gz WXMKTXZQODNWQM-XZDHIHRUSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nccnc4c3)C[C@H]21 ZINC001137088437 892539865 /nfs/dbraw/zinc/53/98/65/892539865.db2.gz WXMKTXZQODNWQM-XZDHIHRUSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000455620189 892805543 /nfs/dbraw/zinc/80/55/43/892805543.db2.gz SGINPAPQQLLILM-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000455620189 892805566 /nfs/dbraw/zinc/80/55/66/892805566.db2.gz SGINPAPQQLLILM-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000455620189 892805593 /nfs/dbraw/zinc/80/55/93/892805593.db2.gz SGINPAPQQLLILM-GGAORHGYSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000498009708 892984361 /nfs/dbraw/zinc/98/43/61/892984361.db2.gz CJISDJTUZWPXOX-ROUUACIJSA-N 2 1 385.474 3.563 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC[C@@H]21 ZINC000876939940 893396465 /nfs/dbraw/zinc/39/64/65/893396465.db2.gz NDHBVVKAXNAMEA-UEDWAMCQSA-N 2 1 377.573 3.771 20 0 GHADMP Clc1ncccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000815149220 893522299 /nfs/dbraw/zinc/52/22/99/893522299.db2.gz DVVKPEYIMIADRW-HXUWFJFHSA-N 2 1 385.939 3.753 20 0 GHADMP Clc1ncccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000815149220 893522322 /nfs/dbraw/zinc/52/23/22/893522322.db2.gz DVVKPEYIMIADRW-HXUWFJFHSA-N 2 1 385.939 3.753 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000611981598 893555073 /nfs/dbraw/zinc/55/50/73/893555073.db2.gz JPEJSGXQBUGODU-QFIPXVFZSA-N 2 1 379.548 3.950 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccn1CC(F)(F)F ZINC000536702545 893576843 /nfs/dbraw/zinc/57/68/43/893576843.db2.gz HANQHIRLVCJVLE-UHFFFAOYSA-N 2 1 381.446 3.579 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nccn1CC(F)(F)F ZINC000536702545 893576859 /nfs/dbraw/zinc/57/68/59/893576859.db2.gz HANQHIRLVCJVLE-UHFFFAOYSA-N 2 1 381.446 3.579 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)c1ccc(F)c(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187490332 893632531 /nfs/dbraw/zinc/63/25/31/893632531.db2.gz MSLDKWVDBPNJKO-RFUYNDQBSA-N 2 1 399.348 3.864 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3ccccc3OC)CC2)CC1 ZINC000563372935 893673496 /nfs/dbraw/zinc/67/34/96/893673496.db2.gz CDLTUJPMLBXPPN-QFIPXVFZSA-N 2 1 399.579 3.555 20 0 GHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000815578372 894016370 /nfs/dbraw/zinc/01/63/70/894016370.db2.gz NCAKFSQXAVWJSS-PXNSSMCTSA-N 2 1 383.511 3.682 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cccc(OC)c2)CC1)CC(C)C ZINC000536888168 894030911 /nfs/dbraw/zinc/03/09/11/894030911.db2.gz SZRDXXFQXAXXAL-UHFFFAOYSA-N 2 1 375.557 3.714 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cccc(OC)c2)CC1)CC(C)C ZINC000536888168 894030926 /nfs/dbraw/zinc/03/09/26/894030926.db2.gz SZRDXXFQXAXXAL-UHFFFAOYSA-N 2 1 375.557 3.714 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000459727024 894113750 /nfs/dbraw/zinc/11/37/50/894113750.db2.gz HALGDKBOIFOCJA-OAQYLSRUSA-N 2 1 389.547 3.815 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000459729267 894118451 /nfs/dbraw/zinc/11/84/51/894118451.db2.gz IUVGNTIDOIOBJH-CQSZACIVSA-N 2 1 377.330 3.661 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459794966 894207979 /nfs/dbraw/zinc/20/79/79/894207979.db2.gz VCYPWDILVHPGGU-GJZGRUSLSA-N 2 1 387.446 3.624 20 0 GHADMP CCn1nc(C)c(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)c1C ZINC000537024507 894230780 /nfs/dbraw/zinc/23/07/80/894230780.db2.gz NELCNYMJEYPPQH-KDURUIRLSA-N 2 1 398.595 3.819 20 0 GHADMP COc1cccc(C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C2CC2)c1 ZINC000563972679 894387582 /nfs/dbraw/zinc/38/75/82/894387582.db2.gz QNZLMFMSGXXHCT-ZCYQVOJMSA-N 2 1 394.559 3.763 20 0 GHADMP Cc1ccccc1NC(=O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000564131300 894634442 /nfs/dbraw/zinc/63/44/42/894634442.db2.gz BMPICYWDUMPSNV-FGZHOGPDSA-N 2 1 377.532 3.778 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564131300 894634448 /nfs/dbraw/zinc/63/44/48/894634448.db2.gz BMPICYWDUMPSNV-FGZHOGPDSA-N 2 1 377.532 3.778 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000564131300 894634456 /nfs/dbraw/zinc/63/44/56/894634456.db2.gz BMPICYWDUMPSNV-FGZHOGPDSA-N 2 1 377.532 3.778 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000564619167 895127588 /nfs/dbraw/zinc/12/75/88/895127588.db2.gz PXPDFTXTLPXLDT-DHIUTWEWSA-N 2 1 383.580 3.752 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCc3ncc(C)cc3C)CC2)c1C ZINC000564910894 895308423 /nfs/dbraw/zinc/30/84/23/895308423.db2.gz DJDWZLOCYHOLEE-UHFFFAOYSA-N 2 1 396.579 3.858 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCc3ncc(C)cc3C)CC2)c1C ZINC000564910894 895308438 /nfs/dbraw/zinc/30/84/38/895308438.db2.gz DJDWZLOCYHOLEE-UHFFFAOYSA-N 2 1 396.579 3.858 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1)c1ccc(C)cc1 ZINC000564970698 895336183 /nfs/dbraw/zinc/33/61/83/895336183.db2.gz MUMBFHUDAQZCBW-RTBURBONSA-N 2 1 398.576 3.958 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1)c1ccc(C)cc1 ZINC000564970698 895336201 /nfs/dbraw/zinc/33/62/01/895336201.db2.gz MUMBFHUDAQZCBW-RTBURBONSA-N 2 1 398.576 3.958 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)CC1 ZINC000565190791 895450786 /nfs/dbraw/zinc/45/07/86/895450786.db2.gz MZJYOXLZDOOURH-QGZVFWFLSA-N 2 1 383.536 3.806 20 0 GHADMP CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000565528110 895702687 /nfs/dbraw/zinc/70/26/87/895702687.db2.gz KPCWPBSHCRAETP-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000565660250 895791159 /nfs/dbraw/zinc/79/11/59/895791159.db2.gz JGNGDOFNCBKKRJ-UHFFFAOYSA-N 2 1 379.548 3.610 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2c1C ZINC000565998110 896039316 /nfs/dbraw/zinc/03/93/16/896039316.db2.gz IGEXMOPHDPQXKF-JOCHJYFZSA-N 2 1 399.608 3.826 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@]4(C3)CCC[N@H+](C)C4)c2c1C ZINC000565998110 896039324 /nfs/dbraw/zinc/03/93/24/896039324.db2.gz IGEXMOPHDPQXKF-JOCHJYFZSA-N 2 1 399.608 3.826 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)c1 ZINC000818959832 896296707 /nfs/dbraw/zinc/29/67/07/896296707.db2.gz UQJUPNCGJUZSHC-WZONZLPQSA-N 2 1 398.547 3.901 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819016413 896351121 /nfs/dbraw/zinc/35/11/21/896351121.db2.gz YVYZKKIKGTYYGR-RXVVDRJESA-N 2 1 392.465 3.893 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000881626917 896400074 /nfs/dbraw/zinc/40/00/74/896400074.db2.gz SEMYZAROGIFJRY-JOCHJYFZSA-N 2 1 398.595 3.551 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000819190313 896460229 /nfs/dbraw/zinc/46/02/29/896460229.db2.gz OCLSBQPVTXSRSC-JXHRLWIKSA-N 2 1 398.547 3.628 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000566699573 896504252 /nfs/dbraw/zinc/50/42/52/896504252.db2.gz HFLHOVLAPWETNE-HXUWFJFHSA-N 2 1 394.563 3.602 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819282963 896525926 /nfs/dbraw/zinc/52/59/26/896525926.db2.gz DWFQSKHDYZFWHN-VWNXMTODSA-N 2 1 382.548 3.545 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4sc(Cl)cc43)CC2)CC1 ZINC000567059575 896839977 /nfs/dbraw/zinc/83/99/77/896839977.db2.gz ANFILLXNGLYPLJ-QGZVFWFLSA-N 2 1 396.000 3.701 20 0 GHADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCc1ccncc1 ZINC000289238547 914104137 /nfs/dbraw/zinc/10/41/37/914104137.db2.gz DNLMGNMFYCIPMY-WCRBZPEASA-N 2 1 381.520 3.726 20 0 GHADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OCc1ccncc1 ZINC000289238547 914104145 /nfs/dbraw/zinc/10/41/45/914104145.db2.gz DNLMGNMFYCIPMY-WCRBZPEASA-N 2 1 381.520 3.726 20 0 GHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCc1ccncc1 ZINC000289238547 914104160 /nfs/dbraw/zinc/10/41/60/914104160.db2.gz DNLMGNMFYCIPMY-WCRBZPEASA-N 2 1 381.520 3.726 20 0 GHADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccncc1 ZINC000289238547 914104170 /nfs/dbraw/zinc/10/41/70/914104170.db2.gz DNLMGNMFYCIPMY-WCRBZPEASA-N 2 1 381.520 3.726 20 0 GHADMP C(C[C@@H]1CCOC1)C[NH+]1CCCC2(CCC[N@H+](CCC[C@@H]3CCOC3)C2)C1 ZINC000645917889 914123427 /nfs/dbraw/zinc/12/34/27/914123427.db2.gz DADHQGJWZUDVHW-WELAQSEPSA-N 2 1 378.601 3.798 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001136348876 897371889 /nfs/dbraw/zinc/37/18/89/897371889.db2.gz YAULOBZRPWRKCL-QFIPXVFZSA-N 2 1 385.596 3.930 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883216314 897379833 /nfs/dbraw/zinc/37/98/33/897379833.db2.gz OFVGUYGRWFYKFU-RPWUZVMVSA-N 2 1 398.522 3.650 20 0 GHADMP [NH3+]CC1(CC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000567815062 897418569 /nfs/dbraw/zinc/41/85/69/897418569.db2.gz UWLMOVSJMFTWJS-UHFFFAOYSA-N 2 1 383.580 3.800 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000567986998 897524304 /nfs/dbraw/zinc/52/43/04/897524304.db2.gz LQJOKCAIKDTMRY-YLJYHZDGSA-N 2 1 375.900 3.713 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000568009279 897532430 /nfs/dbraw/zinc/53/24/30/897532430.db2.gz QGSZCZVDFBOXCZ-IIBYNOLFSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000568009279 897532442 /nfs/dbraw/zinc/53/24/42/897532442.db2.gz QGSZCZVDFBOXCZ-IIBYNOLFSA-N 2 1 381.524 3.558 20 0 GHADMP C[C@@H]([NH2+]C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOCC1)c1ccccc1 ZINC000820810986 897539732 /nfs/dbraw/zinc/53/97/32/897539732.db2.gz IQSKMWGGBRNEAG-RJCLSBMCSA-N 2 1 383.580 3.634 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000568144253 897632282 /nfs/dbraw/zinc/63/22/82/897632282.db2.gz ANNCHUKYTWZOHX-QUCCMNQESA-N 2 1 393.531 3.970 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)Cc3ccc(C)cc3)CC2)CC1 ZINC000568199565 897669026 /nfs/dbraw/zinc/66/90/26/897669026.db2.gz BVYGIKCVCHQOKV-HXUWFJFHSA-N 2 1 385.596 3.581 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000568201598 897669252 /nfs/dbraw/zinc/66/92/52/897669252.db2.gz UHNARLZGNKCHEZ-CTNGQTDRSA-N 2 1 385.577 3.665 20 0 GHADMP COCCC1(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CCCCC1 ZINC000568349864 897766682 /nfs/dbraw/zinc/76/66/82/897766682.db2.gz IPBNKGJLOKBPTB-IBGZPJMESA-N 2 1 379.614 3.613 20 0 GHADMP FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000568641201 898000483 /nfs/dbraw/zinc/00/04/83/898000483.db2.gz GWQSFPRXTLRMJV-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000568641201 898000499 /nfs/dbraw/zinc/00/04/99/898000499.db2.gz GWQSFPRXTLRMJV-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C(C)(C)C)ccc2[nH]1 ZINC001136541434 898213279 /nfs/dbraw/zinc/21/32/79/898213279.db2.gz AQFZJCWGANPMRB-HXUWFJFHSA-N 2 1 398.595 3.954 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCCOc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000107369273 898329707 /nfs/dbraw/zinc/32/97/07/898329707.db2.gz PXOBLCPEFBKJIB-IBGZPJMESA-N 2 1 399.501 3.576 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000569449831 898674569 /nfs/dbraw/zinc/67/45/69/898674569.db2.gz OUOPFTLEFVHVCS-GLCCWIKHSA-N 2 1 380.532 3.520 20 0 GHADMP Brc1cccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000569461584 898684205 /nfs/dbraw/zinc/68/42/05/898684205.db2.gz XNLCSJYKLFAFRA-GASCZTMLSA-N 2 1 376.298 3.536 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc1)C2 ZINC000289640110 914276226 /nfs/dbraw/zinc/27/62/26/914276226.db2.gz XNSLIJWTIHHGHX-HMFYCAOWSA-N 2 1 394.563 3.548 20 0 GHADMP COc1ccc(Oc2ccc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)cc2)cc1 ZINC000569768618 898939192 /nfs/dbraw/zinc/93/91/92/898939192.db2.gz LSCRDRSGZZGYSR-UHFFFAOYSA-N 2 1 397.563 3.945 20 0 GHADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000570727646 899538238 /nfs/dbraw/zinc/53/82/38/899538238.db2.gz SBBGSCTXCQLCFB-MGPQQGTHSA-N 2 1 378.314 3.909 20 0 GHADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000570727646 899538252 /nfs/dbraw/zinc/53/82/52/899538252.db2.gz SBBGSCTXCQLCFB-MGPQQGTHSA-N 2 1 378.314 3.909 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761644 899568074 /nfs/dbraw/zinc/56/80/74/899568074.db2.gz CCSQZHLFJAFPAD-SJLPKXTDSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761644 899568084 /nfs/dbraw/zinc/56/80/84/899568084.db2.gz CCSQZHLFJAFPAD-SJLPKXTDSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761644 899568094 /nfs/dbraw/zinc/56/80/94/899568094.db2.gz CCSQZHLFJAFPAD-SJLPKXTDSA-N 2 1 378.442 3.807 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCCCC1 ZINC000824426288 899593679 /nfs/dbraw/zinc/59/36/79/899593679.db2.gz CUJFUNFFTJPNKK-KRWDZBQOSA-N 2 1 382.556 3.637 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824554008 899684854 /nfs/dbraw/zinc/68/48/54/899684854.db2.gz LPFARMLGTFZOAS-DHWLSRIRSA-N 2 1 388.519 3.713 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001136918239 899751270 /nfs/dbraw/zinc/75/12/70/899751270.db2.gz KVKOKNMWFWFMMT-IBGZPJMESA-N 2 1 375.557 3.578 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1C ZINC001136918239 899751279 /nfs/dbraw/zinc/75/12/79/899751279.db2.gz KVKOKNMWFWFMMT-IBGZPJMESA-N 2 1 375.557 3.578 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cncc(Cl)c1)CC2 ZINC001136990595 899985890 /nfs/dbraw/zinc/98/58/90/899985890.db2.gz ATKNIZVWCSRMKS-GOSISDBHSA-N 2 1 375.900 3.584 20 0 GHADMP CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000571918165 900006785 /nfs/dbraw/zinc/00/67/85/900006785.db2.gz MXEOACICJXUTFV-UHFFFAOYSA-N 2 1 390.597 3.823 20 0 GHADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1nc(C(F)(F)F)c[nH]1)CC2 ZINC001137013008 900067635 /nfs/dbraw/zinc/06/76/35/900067635.db2.gz BOCWGXUIUFURDF-MRXNPFEDSA-N 2 1 382.430 3.898 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1nc(C(F)(F)F)c[nH]1)CC2 ZINC001137013008 900067644 /nfs/dbraw/zinc/06/76/44/900067644.db2.gz BOCWGXUIUFURDF-MRXNPFEDSA-N 2 1 382.430 3.898 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5[nH]cnc5c4)CC3)C2)cc1 ZINC001137045417 900203780 /nfs/dbraw/zinc/20/37/80/900203780.db2.gz HHRKPSCDUFIQGZ-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5nc[nH]c5c4)CC3)C2)cc1 ZINC001137045417 900203792 /nfs/dbraw/zinc/20/37/92/900203792.db2.gz HHRKPSCDUFIQGZ-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5nc[nH]c5c4)CC3)C2)cc1 ZINC001137045417 900203797 /nfs/dbraw/zinc/20/37/97/900203797.db2.gz HHRKPSCDUFIQGZ-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000572920855 900312488 /nfs/dbraw/zinc/31/24/88/900312488.db2.gz NUEPUPXNKKABTK-OAQYLSRUSA-N 2 1 395.547 3.786 20 0 GHADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(OCC[NH+](C)C)c1 ZINC000572920854 900312879 /nfs/dbraw/zinc/31/28/79/900312879.db2.gz NUEPUPXNKKABTK-NRFANRHFSA-N 2 1 395.547 3.786 20 0 GHADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[N@H+](C)C3CCC([NH3+])CC3)cs2)c1 ZINC000844221417 900589016 /nfs/dbraw/zinc/58/90/16/900589016.db2.gz ZMRIFKVHGJMAJO-UHFFFAOYSA-N 2 1 386.565 3.643 20 0 GHADMP COc1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573819957 900645607 /nfs/dbraw/zinc/64/56/07/900645607.db2.gz MUOUHJQZFKTREQ-JOCHJYFZSA-N 2 1 380.532 3.714 20 0 GHADMP Cc1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cccc1C(F)(F)F ZINC001143923889 900773534 /nfs/dbraw/zinc/77/35/34/900773534.db2.gz KMUPRDOHLKWUPT-MOPGFXCFSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1c(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cccc1C(F)(F)F ZINC001143923889 900773539 /nfs/dbraw/zinc/77/35/39/900773539.db2.gz KMUPRDOHLKWUPT-MOPGFXCFSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1c(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cccc1C(F)(F)F ZINC001143923889 900773543 /nfs/dbraw/zinc/77/35/43/900773543.db2.gz KMUPRDOHLKWUPT-MOPGFXCFSA-N 2 1 392.469 3.701 20 0 GHADMP Cc1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cccc1C(F)(F)F ZINC001143923889 900773549 /nfs/dbraw/zinc/77/35/49/900773549.db2.gz KMUPRDOHLKWUPT-MOPGFXCFSA-N 2 1 392.469 3.701 20 0 GHADMP C[NH+](Cc1ccc(CO)cc1)[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000886389481 900975994 /nfs/dbraw/zinc/97/59/94/900975994.db2.gz LBYVEKQBTIUCSB-RQNOJGIXSA-N 2 1 382.548 3.546 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000066675874 901014886 /nfs/dbraw/zinc/01/48/86/901014886.db2.gz ZOBQCVCPPBUQES-UHFFFAOYSA-N 2 1 379.548 3.732 20 0 GHADMP Cc1c(O)cccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001144112447 901076825 /nfs/dbraw/zinc/07/68/25/901076825.db2.gz IRSGHBUEQBKVKV-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1c(O)cccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001144112447 901076836 /nfs/dbraw/zinc/07/68/36/901076836.db2.gz IRSGHBUEQBKVKV-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1c(O)cccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001144112447 901076844 /nfs/dbraw/zinc/07/68/44/901076844.db2.gz IRSGHBUEQBKVKV-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1c(O)cccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001144112447 901076855 /nfs/dbraw/zinc/07/68/55/901076855.db2.gz IRSGHBUEQBKVKV-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524000 901121821 /nfs/dbraw/zinc/12/18/21/901121821.db2.gz AHKWMFVWIIJFKC-BDTNDASRSA-N 2 1 385.596 3.519 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886524000 901121829 /nfs/dbraw/zinc/12/18/29/901121829.db2.gz AHKWMFVWIIJFKC-BDTNDASRSA-N 2 1 385.596 3.519 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524000 901121839 /nfs/dbraw/zinc/12/18/39/901121839.db2.gz AHKWMFVWIIJFKC-BDTNDASRSA-N 2 1 385.596 3.519 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524001 901122018 /nfs/dbraw/zinc/12/20/18/901122018.db2.gz AHKWMFVWIIJFKC-FKBYEOEOSA-N 2 1 385.596 3.519 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886524001 901122021 /nfs/dbraw/zinc/12/20/21/901122021.db2.gz AHKWMFVWIIJFKC-FKBYEOEOSA-N 2 1 385.596 3.519 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886524001 901122023 /nfs/dbraw/zinc/12/20/23/901122023.db2.gz AHKWMFVWIIJFKC-FKBYEOEOSA-N 2 1 385.596 3.519 20 0 GHADMP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000575120001 901124974 /nfs/dbraw/zinc/12/49/74/901124974.db2.gz GOFLSRITEMCPKY-PXNSSMCTSA-N 2 1 385.577 3.803 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000575164075 901147899 /nfs/dbraw/zinc/14/78/99/901147899.db2.gz UTLYVGPZDHUHLJ-CALCHBBNSA-N 2 1 390.499 3.662 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000575164075 901147906 /nfs/dbraw/zinc/14/79/06/901147906.db2.gz UTLYVGPZDHUHLJ-CALCHBBNSA-N 2 1 390.499 3.662 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)CO[C@H](C)c3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886669577 901217524 /nfs/dbraw/zinc/21/75/24/901217524.db2.gz ATOPKNNKWNAFCX-OXQOHEQNSA-N 2 1 391.943 3.998 20 0 GHADMP C(C(C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815278 901284567 /nfs/dbraw/zinc/28/45/67/901284567.db2.gz APHKQPMRAVUUBZ-WMIMKTLMSA-N 2 1 390.612 3.795 20 0 GHADMP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576512400 902069113 /nfs/dbraw/zinc/06/91/13/902069113.db2.gz TZRFWTUSEXBFOE-YADHBBJMSA-N 2 1 382.548 3.661 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000127436482 902480167 /nfs/dbraw/zinc/48/01/67/902480167.db2.gz YSPIMEAFWDPZBL-UHFFFAOYSA-N 2 1 378.879 3.725 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)C1 ZINC000290426700 914676808 /nfs/dbraw/zinc/67/68/08/914676808.db2.gz UWTIRGIVOZSQES-XXBNENTESA-N 2 1 375.516 3.902 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000600888925 903051212 /nfs/dbraw/zinc/05/12/12/903051212.db2.gz MZQAAMCLDFBREN-CRKBPHHBSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000600888925 903051221 /nfs/dbraw/zinc/05/12/21/903051221.db2.gz MZQAAMCLDFBREN-CRKBPHHBSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000600888925 903051235 /nfs/dbraw/zinc/05/12/35/903051235.db2.gz MZQAAMCLDFBREN-CRKBPHHBSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000887611272 903130670 /nfs/dbraw/zinc/13/06/70/903130670.db2.gz YCSVTJPYAMHSKG-UHFFFAOYSA-N 2 1 380.536 3.620 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cc4ccccc4n(C)c3=O)C2)s1 ZINC000577765574 903165853 /nfs/dbraw/zinc/16/58/53/903165853.db2.gz FTXMZDVFCPBLSA-SFHVURJKSA-N 2 1 395.572 3.862 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cc4ccccc4n(C)c3=O)C2)s1 ZINC000577765574 903165857 /nfs/dbraw/zinc/16/58/57/903165857.db2.gz FTXMZDVFCPBLSA-SFHVURJKSA-N 2 1 395.572 3.862 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cc4ccccc4n(C)c3=O)C2)s1 ZINC000577765574 903165863 /nfs/dbraw/zinc/16/58/63/903165863.db2.gz FTXMZDVFCPBLSA-SFHVURJKSA-N 2 1 395.572 3.862 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(-c2ncco2)ccc1C ZINC000133845486 903430801 /nfs/dbraw/zinc/43/08/01/903430801.db2.gz POILACJMMCZDPT-IBGZPJMESA-N 2 1 399.539 3.530 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(CCc4ccccc4)s3)C2)CC1 ZINC000578147348 903560545 /nfs/dbraw/zinc/56/05/45/903560545.db2.gz KWMUYFKICLINSC-OAQYLSRUSA-N 2 1 398.620 3.529 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000779053736 903564253 /nfs/dbraw/zinc/56/42/53/903564253.db2.gz BEQBDXZGCZRZPT-WOJBJXKFSA-N 2 1 375.557 3.921 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000779056812 903618509 /nfs/dbraw/zinc/61/85/09/903618509.db2.gz AREJSQBOXJBTFQ-CCYWDIDXSA-N 2 1 379.589 3.873 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001146934005 903643886 /nfs/dbraw/zinc/64/38/86/903643886.db2.gz KARYYSGIFKLFMA-PMACEKPBSA-N 2 1 387.568 3.992 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000578277336 903683203 /nfs/dbraw/zinc/68/32/03/903683203.db2.gz YLXPMSVZMBUDJT-NRMGUKERSA-N 2 1 397.485 3.641 20 0 GHADMP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000578277336 903683205 /nfs/dbraw/zinc/68/32/05/903683205.db2.gz YLXPMSVZMBUDJT-NRMGUKERSA-N 2 1 397.485 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC001147479965 903797876 /nfs/dbraw/zinc/79/78/76/903797876.db2.gz ZOODEWNUCHMSKQ-QFBILLFUSA-N 2 1 399.501 3.936 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000779073097 903903531 /nfs/dbraw/zinc/90/35/31/903903531.db2.gz KMXASGRRYVVNRM-RBBKRZOGSA-N 2 1 393.522 3.871 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000779073097 903903544 /nfs/dbraw/zinc/90/35/44/903903544.db2.gz KMXASGRRYVVNRM-RBBKRZOGSA-N 2 1 393.522 3.871 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OC ZINC000265465562 903909206 /nfs/dbraw/zinc/90/92/06/903909206.db2.gz HYRCEXCYDJTYGA-HXUWFJFHSA-N 2 1 390.568 3.855 20 0 GHADMP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nnc1-c1ccccc1 ZINC000578653014 904028015 /nfs/dbraw/zinc/02/80/15/904028015.db2.gz DTIPYWGRNNAILL-FGZHOGPDSA-N 2 1 389.547 3.654 20 0 GHADMP Cn1c(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nnc1-c1ccccc1 ZINC000578653014 904028027 /nfs/dbraw/zinc/02/80/27/904028027.db2.gz DTIPYWGRNNAILL-FGZHOGPDSA-N 2 1 389.547 3.654 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724469 904083000 /nfs/dbraw/zinc/08/30/00/904083000.db2.gz SNNIXEZQTGXHBL-GGAORHGYSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724469 904083014 /nfs/dbraw/zinc/08/30/14/904083014.db2.gz SNNIXEZQTGXHBL-GGAORHGYSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724469 904083021 /nfs/dbraw/zinc/08/30/21/904083021.db2.gz SNNIXEZQTGXHBL-GGAORHGYSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724469 904083031 /nfs/dbraw/zinc/08/30/31/904083031.db2.gz SNNIXEZQTGXHBL-GGAORHGYSA-N 2 1 385.596 3.939 20 0 GHADMP COC(=O)c1ccc(OC)c(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001137248920 904112577 /nfs/dbraw/zinc/11/25/77/904112577.db2.gz MFDAYQDGZUHOQK-UHFFFAOYSA-N 2 1 396.531 3.826 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCCc3ccc(C)nc3)CC2)c1C ZINC000578803251 904133078 /nfs/dbraw/zinc/13/30/78/904133078.db2.gz OZTUDEHMQSMAMZ-UHFFFAOYSA-N 2 1 396.579 3.939 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCCc3ccc(C)nc3)CC2)c1C ZINC000578803251 904133084 /nfs/dbraw/zinc/13/30/84/904133084.db2.gz OZTUDEHMQSMAMZ-UHFFFAOYSA-N 2 1 396.579 3.939 20 0 GHADMP COCCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000152417007 904266067 /nfs/dbraw/zinc/26/60/67/904266067.db2.gz FUOIABLZOACOHJ-DNVCBOLYSA-N 2 1 381.358 3.991 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000773005379 904357819 /nfs/dbraw/zinc/35/78/19/904357819.db2.gz IWBMFMOTWYGBLJ-XMSQKQJNSA-N 2 1 381.520 3.908 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000773005379 904357832 /nfs/dbraw/zinc/35/78/32/904357832.db2.gz IWBMFMOTWYGBLJ-XMSQKQJNSA-N 2 1 381.520 3.908 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171408150 904527245 /nfs/dbraw/zinc/52/72/45/904527245.db2.gz KNLNLHNEZGLGCK-GOSISDBHSA-N 2 1 393.547 3.509 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000579365077 904544258 /nfs/dbraw/zinc/54/42/58/904544258.db2.gz LSCKHUOJXKPHJV-QFIPXVFZSA-N 2 1 381.520 3.744 20 0 GHADMP c1c2ccccc2oc1[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccnc1 ZINC000579462144 904627753 /nfs/dbraw/zinc/62/77/53/904627753.db2.gz JKTTZAXJHPZDMA-VUNKPPBISA-N 2 1 390.531 3.723 20 0 GHADMP CC(C)N(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655882 904778309 /nfs/dbraw/zinc/77/83/09/904778309.db2.gz NAVSTBDCEVAUEJ-PKTZIBPZSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655882 904778312 /nfs/dbraw/zinc/77/83/12/904778312.db2.gz NAVSTBDCEVAUEJ-PKTZIBPZSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655882 904778320 /nfs/dbraw/zinc/77/83/20/904778320.db2.gz NAVSTBDCEVAUEJ-PKTZIBPZSA-N 2 1 378.564 3.880 20 0 GHADMP CC(C)N(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000579655882 904778331 /nfs/dbraw/zinc/77/83/31/904778331.db2.gz NAVSTBDCEVAUEJ-PKTZIBPZSA-N 2 1 378.564 3.880 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3O[C@@H](COc4cccnc4)CC[C@H]32)CC1(C)C ZINC001171637767 904925834 /nfs/dbraw/zinc/92/58/34/904925834.db2.gz OZJCRFZDQRBBFT-NJDAHSKKSA-N 2 1 387.568 3.734 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC001171752075 904980392 /nfs/dbraw/zinc/98/03/92/904980392.db2.gz PNDJRXIJCUWZSK-IZSMGAQTSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)o1 ZINC001171752075 904980400 /nfs/dbraw/zinc/98/04/00/904980400.db2.gz PNDJRXIJCUWZSK-IZSMGAQTSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)o1 ZINC001171752075 904980408 /nfs/dbraw/zinc/98/04/08/904980408.db2.gz PNDJRXIJCUWZSK-IZSMGAQTSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)o1 ZINC001171752075 904980412 /nfs/dbraw/zinc/98/04/12/904980412.db2.gz PNDJRXIJCUWZSK-IZSMGAQTSA-N 2 1 379.548 3.900 20 0 GHADMP Cc1nc(C[NH+]2CCC3(CN([C@H]4C[C@H](C)[N@@H+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755592 904988836 /nfs/dbraw/zinc/98/88/36/904988836.db2.gz MZECEXMAKRQKFV-AVRDEDQJSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[NH+]2CCC3(CN([C@H]4C[C@H](C)[N@H+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755592 904988849 /nfs/dbraw/zinc/98/88/49/904988849.db2.gz MZECEXMAKRQKFV-AVRDEDQJSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[N@H+]2CCC3(CN([C@H]4C[C@H](C)[NH+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755592 904988863 /nfs/dbraw/zinc/98/88/63/904988863.db2.gz MZECEXMAKRQKFV-AVRDEDQJSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[N@@H+]2CCC3(CN([C@H]4C[C@H](C)[NH+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755592 904988874 /nfs/dbraw/zinc/98/88/74/904988874.db2.gz MZECEXMAKRQKFV-AVRDEDQJSA-N 2 1 396.604 3.622 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@]23C[C@H]2CN(C(=O)c2ccco2)C3)CC[N@H+]1Cc1ccccc1 ZINC001171963974 905171392 /nfs/dbraw/zinc/17/13/92/905171392.db2.gz GGZSWBMRMKLUTC-ROKPMTFOSA-N 2 1 393.531 3.527 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001171994373 905206344 /nfs/dbraw/zinc/20/63/44/905206344.db2.gz CESDLVATVNNZOJ-UHFFFAOYSA-N 2 1 380.374 3.834 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001171994373 905206361 /nfs/dbraw/zinc/20/63/61/905206361.db2.gz CESDLVATVNNZOJ-UHFFFAOYSA-N 2 1 380.374 3.834 20 0 GHADMP CC(C)(C)[C@H](CN1C(=O)CCC1=O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974970 905220763 /nfs/dbraw/zinc/22/07/63/905220763.db2.gz BKCYRVLTRMVYMN-PMACEKPBSA-N 2 1 399.579 3.583 20 0 GHADMP CC1(C)C[C@@H]([NH2+]CCNC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171982738 905238393 /nfs/dbraw/zinc/23/83/93/905238393.db2.gz KOWRTXQISPVRGZ-NRFANRHFSA-N 2 1 380.536 3.841 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984651 905240283 /nfs/dbraw/zinc/24/02/83/905240283.db2.gz OEBGENOVJYRFHW-LADGPHEKSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984651 905240298 /nfs/dbraw/zinc/24/02/98/905240298.db2.gz OEBGENOVJYRFHW-LADGPHEKSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984651 905240310 /nfs/dbraw/zinc/24/03/10/905240310.db2.gz OEBGENOVJYRFHW-LADGPHEKSA-N 2 1 383.580 3.907 20 0 GHADMP O=C1C[C@H]([N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)CCN1C1CC1 ZINC001172019838 905262758 /nfs/dbraw/zinc/26/27/58/905262758.db2.gz STWYIDHYAAMRTO-JOCHJYFZSA-N 2 1 381.564 3.518 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CC[C@H]([NH+]4CCOCC4)CC2)C3)cc1 ZINC001172071663 905272896 /nfs/dbraw/zinc/27/28/96/905272896.db2.gz YCCPDBWFJMBWIF-OOWXZUILSA-N 3 1 397.607 3.805 20 0 GHADMP c1ccc(CN2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CC[C@H]([NH+]4CCOCC4)CC2)C3)cc1 ZINC001172071663 905272914 /nfs/dbraw/zinc/27/29/14/905272914.db2.gz YCCPDBWFJMBWIF-OOWXZUILSA-N 2 1 397.607 3.805 20 0 GHADMP O=C1CCC[C@@]2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)N1 ZINC001172074213 905280695 /nfs/dbraw/zinc/28/06/95/905280695.db2.gz RIUXVKZSDNYBNN-NXYDZRKXSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)N1 ZINC001172074213 905280743 /nfs/dbraw/zinc/28/07/43/905280743.db2.gz RIUXVKZSDNYBNN-NXYDZRKXSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)N1 ZINC001172074213 905280756 /nfs/dbraw/zinc/28/07/56/905280756.db2.gz RIUXVKZSDNYBNN-NXYDZRKXSA-N 2 1 381.564 3.707 20 0 GHADMP OC[C@@H](COCc1ccccc1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078421 905289654 /nfs/dbraw/zinc/28/96/54/905289654.db2.gz ZCMGAHPDTDLXRW-OJJQZRKESA-N 2 1 394.559 3.739 20 0 GHADMP [NH3+]C[C@@H](CO)c1ccc(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172079957 905292764 /nfs/dbraw/zinc/29/27/64/905292764.db2.gz RGLMLBLLXKFMHV-XGAJZPNHSA-N 2 1 379.548 3.719 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090997 905313325 /nfs/dbraw/zinc/31/33/25/905313325.db2.gz ZLIGXSIUQPVNBD-WZYRSQIMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090997 905313338 /nfs/dbraw/zinc/31/33/38/905313338.db2.gz ZLIGXSIUQPVNBD-WZYRSQIMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090997 905313351 /nfs/dbraw/zinc/31/33/51/905313351.db2.gz ZLIGXSIUQPVNBD-WZYRSQIMSA-N 2 1 392.547 3.906 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172090997 905313364 /nfs/dbraw/zinc/31/33/64/905313364.db2.gz ZLIGXSIUQPVNBD-WZYRSQIMSA-N 2 1 392.547 3.906 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172100435 905323329 /nfs/dbraw/zinc/32/33/29/905323329.db2.gz QNLWYVWJTSRRSC-OKYOBFRVSA-N 2 1 377.573 3.629 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172129951 905340375 /nfs/dbraw/zinc/34/03/75/905340375.db2.gz FOTYBHGOOUERHG-PMOLBWCYSA-N 2 1 399.579 3.685 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172129951 905340393 /nfs/dbraw/zinc/34/03/93/905340393.db2.gz FOTYBHGOOUERHG-PMOLBWCYSA-N 2 1 399.579 3.685 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C1)C2 ZINC001172130405 905343887 /nfs/dbraw/zinc/34/38/87/905343887.db2.gz OXKSMRDGHTZOGX-YRPNKDGESA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C1)C2 ZINC001172130405 905343938 /nfs/dbraw/zinc/34/39/38/905343938.db2.gz OXKSMRDGHTZOGX-YRPNKDGESA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C1)C2 ZINC001172130405 905343968 /nfs/dbraw/zinc/34/39/68/905343968.db2.gz OXKSMRDGHTZOGX-YRPNKDGESA-N 2 1 377.573 3.866 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000174783552 905344875 /nfs/dbraw/zinc/34/48/75/905344875.db2.gz VLYZZEVWRVXBCF-UXHICEINSA-N 2 1 381.524 3.755 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000174783552 905344892 /nfs/dbraw/zinc/34/48/92/905344892.db2.gz VLYZZEVWRVXBCF-UXHICEINSA-N 2 1 381.524 3.755 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(c1cccc(C(F)(F)F)n1)C1CC[NH2+]CC1)C2 ZINC001172134064 905346857 /nfs/dbraw/zinc/34/68/57/905346857.db2.gz WRPSKLLGXUCFOI-BJWYYQGGSA-N 2 1 382.474 3.674 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1ncnc3ccccc31)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109982 905355230 /nfs/dbraw/zinc/35/52/30/905355230.db2.gz HVUWJEHYZOSPST-GFXZNLHSSA-N 2 1 379.552 3.721 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001172111477 905360880 /nfs/dbraw/zinc/36/08/80/905360880.db2.gz URJFJARCVJHWCL-YHDCXSKOSA-N 2 1 379.589 3.922 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3cccc(Br)c3)C1)C2 ZINC001172116203 905367200 /nfs/dbraw/zinc/36/72/00/905367200.db2.gz XXDJZAPGIZYHHP-HAGHYFMRSA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(Cc3cccc(Br)c3)C1)C2 ZINC001172116203 905367216 /nfs/dbraw/zinc/36/72/16/905367216.db2.gz XXDJZAPGIZYHHP-HAGHYFMRSA-N 2 1 392.385 3.628 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121106 905378209 /nfs/dbraw/zinc/37/82/09/905378209.db2.gz OSSDPDDZHRWQCV-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121106 905378226 /nfs/dbraw/zinc/37/82/26/905378226.db2.gz OSSDPDDZHRWQCV-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172121106 905378245 /nfs/dbraw/zinc/37/82/45/905378245.db2.gz OSSDPDDZHRWQCV-WEMPKCCASA-N 2 1 377.573 3.725 20 0 GHADMP COCCC[NH+]1CCC([NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC001172245372 905443515 /nfs/dbraw/zinc/44/35/15/905443515.db2.gz STXFOZCZSACKEC-UHFFFAOYSA-N 2 1 381.358 3.919 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)CC1 ZINC001172255668 905450973 /nfs/dbraw/zinc/45/09/73/905450973.db2.gz ZVVGWCUTKMCZHT-KMDXXIMOSA-N 2 1 384.564 3.684 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)CC1 ZINC001172255668 905450985 /nfs/dbraw/zinc/45/09/85/905450985.db2.gz ZVVGWCUTKMCZHT-KMDXXIMOSA-N 2 1 384.564 3.684 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172330928 905495778 /nfs/dbraw/zinc/49/57/78/905495778.db2.gz OSZNNDMBKYUVRB-SLFFLAALSA-N 2 1 378.557 3.929 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584938 921165963 /nfs/dbraw/zinc/16/59/63/921165963.db2.gz OBMRYPXGDJXISD-GGAORHGYSA-N 2 1 398.547 3.628 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584938 921165970 /nfs/dbraw/zinc/16/59/70/921165970.db2.gz OBMRYPXGDJXISD-GGAORHGYSA-N 2 1 398.547 3.628 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](C1CCC3(CCCC3)CC1)CCC2 ZINC001172727470 905776238 /nfs/dbraw/zinc/77/62/38/905776238.db2.gz YHXYVNGREDQBHH-UHFFFAOYSA-N 2 1 386.584 3.792 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](C1CCC3(CCCC3)CC1)CCC2 ZINC001172727470 905776246 /nfs/dbraw/zinc/77/62/46/905776246.db2.gz YHXYVNGREDQBHH-UHFFFAOYSA-N 2 1 386.584 3.792 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC3(CCCC3)CC1)CCC2 ZINC001172727470 905776251 /nfs/dbraw/zinc/77/62/51/905776251.db2.gz YHXYVNGREDQBHH-UHFFFAOYSA-N 2 1 386.584 3.792 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172763451 905805973 /nfs/dbraw/zinc/80/59/73/905805973.db2.gz JHWJNHRTWHHEJX-SEIRJHJZSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172763451 905805986 /nfs/dbraw/zinc/80/59/86/905805986.db2.gz JHWJNHRTWHHEJX-SEIRJHJZSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172763451 905806004 /nfs/dbraw/zinc/80/60/04/905806004.db2.gz JHWJNHRTWHHEJX-SEIRJHJZSA-N 2 1 387.568 3.734 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001172763451 905806015 /nfs/dbraw/zinc/80/60/15/905806015.db2.gz JHWJNHRTWHHEJX-SEIRJHJZSA-N 2 1 387.568 3.734 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172960612 906069974 /nfs/dbraw/zinc/06/99/74/906069974.db2.gz ZKGVWKFXXUTESW-SQNIBIBYSA-N 2 1 393.597 3.757 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001173073366 906168188 /nfs/dbraw/zinc/16/81/88/906168188.db2.gz NNOZPPOQLDKOPM-HKUYNNGSSA-N 2 1 388.556 3.736 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)CC1 ZINC001173110681 906198643 /nfs/dbraw/zinc/19/86/43/906198643.db2.gz NNBNCKOKQWUXET-WYZYGFAWSA-N 2 1 378.601 3.795 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139562 906225981 /nfs/dbraw/zinc/22/59/81/906225981.db2.gz USBXANGALUETIT-RDPOXOKHSA-N 2 1 382.577 3.628 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139562 906225996 /nfs/dbraw/zinc/22/59/96/906225996.db2.gz USBXANGALUETIT-RDPOXOKHSA-N 2 1 382.577 3.628 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139562 906226013 /nfs/dbraw/zinc/22/60/13/906226013.db2.gz USBXANGALUETIT-RDPOXOKHSA-N 2 1 382.577 3.628 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139562 906226031 /nfs/dbraw/zinc/22/60/31/906226031.db2.gz USBXANGALUETIT-RDPOXOKHSA-N 2 1 382.577 3.628 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4ncsc4C3)C[C@@H]21 ZINC001173139562 906226047 /nfs/dbraw/zinc/22/60/47/906226047.db2.gz USBXANGALUETIT-RDPOXOKHSA-N 2 1 382.577 3.628 20 0 GHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC001173157242 906242416 /nfs/dbraw/zinc/24/24/16/906242416.db2.gz SHZSHXRNADBZSQ-XSDIEEQYSA-N 2 1 378.516 3.784 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CCC([NH3+])(Cc3cccc(Cl)c3)CC1)CO2 ZINC001173158299 906244801 /nfs/dbraw/zinc/24/48/01/906244801.db2.gz GVASKDDLFVZNLZ-SFHVURJKSA-N 2 1 386.923 3.688 20 0 GHADMP CCCC[C@@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001173255772 906341319 /nfs/dbraw/zinc/34/13/19/906341319.db2.gz CODVCFVVRNMMCP-FQEVSTJZSA-N 2 1 376.589 3.896 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000178522689 906354784 /nfs/dbraw/zinc/35/47/84/906354784.db2.gz ZGACSPLBCHCIJC-GOSISDBHSA-N 2 1 389.540 3.763 20 0 GHADMP CC(C)[N@@H+](CCC[NH3+])[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001173384032 906412874 /nfs/dbraw/zinc/41/28/74/906412874.db2.gz NEXWOXFCLXAZSS-KZNAEPCWSA-N 2 1 398.588 3.514 20 0 GHADMP COc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001173407386 906433469 /nfs/dbraw/zinc/43/34/69/906433469.db2.gz ABHVGRVYRLZURP-NRFANRHFSA-N 2 1 399.579 3.640 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CC2)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173415368 906444366 /nfs/dbraw/zinc/44/43/66/906444366.db2.gz ZFFUEFUAXAMWBL-MXVIHJGJSA-N 2 1 389.971 3.927 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([NH2+]C(C)(C)C[NH3+])CC1 ZINC001173560105 906532436 /nfs/dbraw/zinc/53/24/36/906532436.db2.gz UXIQYYDCPMKYJA-UHFFFAOYSA-N 2 1 385.346 3.534 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+]1C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C1)CC2 ZINC001173613121 906540620 /nfs/dbraw/zinc/54/06/20/906540620.db2.gz SSFNFPFIBVUEJG-BXDOVSSBSA-N 2 1 396.575 3.871 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+]([C@H]1COC3(C1)CC[NH2+]CC3)C(C)(C)C)CC2 ZINC001173612729 906540765 /nfs/dbraw/zinc/54/07/65/906540765.db2.gz RLORRUANAUCINC-IDPGXWOASA-N 2 1 392.584 3.510 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)CC2 ZINC001173604907 906556856 /nfs/dbraw/zinc/55/68/56/906556856.db2.gz ASOJPHTWHIRJEB-AMIIXWMNSA-N 2 1 385.552 3.666 20 0 GHADMP FC(F)(F)CN1CCC([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173673072 906609293 /nfs/dbraw/zinc/60/92/93/906609293.db2.gz HHPOGTBNWJAMDX-HXUWFJFHSA-N 2 1 381.486 3.611 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173673072 906609298 /nfs/dbraw/zinc/60/92/98/906609298.db2.gz HHPOGTBNWJAMDX-HXUWFJFHSA-N 2 1 381.486 3.611 20 0 GHADMP FC(F)(F)CN1CCC([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001173673072 906609306 /nfs/dbraw/zinc/60/93/06/906609306.db2.gz HHPOGTBNWJAMDX-HXUWFJFHSA-N 2 1 381.486 3.611 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001173708459 906658236 /nfs/dbraw/zinc/65/82/36/906658236.db2.gz HZOJJYSGDQDIKE-SIKLNZKXSA-N 2 1 380.532 3.906 20 0 GHADMP CCCC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173767129 906686851 /nfs/dbraw/zinc/68/68/51/906686851.db2.gz HYEANHHSXVLDCD-UHFFFAOYSA-N 2 1 383.939 3.795 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000182236186 907165260 /nfs/dbraw/zinc/16/52/60/907165260.db2.gz XVZRHXXRCYOVFR-DYESRHJHSA-N 2 1 384.520 3.511 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3CC(F)(F)F)cc2)C1 ZINC000631174094 907613531 /nfs/dbraw/zinc/61/35/31/907613531.db2.gz VQUNMIBAZLBVOW-HXUWFJFHSA-N 2 1 378.438 3.648 20 0 GHADMP C[C@H]1C[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)CCN1c1cc[nH+]cc1 ZINC001175767947 907734286 /nfs/dbraw/zinc/73/42/86/907734286.db2.gz KOEWUQNLWMUSKV-INIZCTEOSA-N 2 1 387.911 3.650 20 0 GHADMP C[C@H]1C[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)CCN1c1cc[nH+]cc1 ZINC001175767947 907734294 /nfs/dbraw/zinc/73/42/94/907734294.db2.gz KOEWUQNLWMUSKV-INIZCTEOSA-N 2 1 387.911 3.650 20 0 GHADMP Nc1cc[nH+]c(-c2cc(Nc3ccc(OCC[NH+]4CCCCC4)cc3)ccn2)c1 ZINC001175796289 907752007 /nfs/dbraw/zinc/75/20/07/907752007.db2.gz IALLGTDCHDASPD-UHFFFAOYSA-N 2 1 389.503 3.756 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccc(N2CC[NH+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC001176037960 907898218 /nfs/dbraw/zinc/89/82/18/907898218.db2.gz CYTDAGNUKKYCAN-JOCHJYFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC001176037960 907898237 /nfs/dbraw/zinc/89/82/37/907898237.db2.gz CYTDAGNUKKYCAN-JOCHJYFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CCCCC1 ZINC001176037960 907898255 /nfs/dbraw/zinc/89/82/55/907898255.db2.gz CYTDAGNUKKYCAN-JOCHJYFZSA-N 2 1 384.568 3.564 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000632997362 908185063 /nfs/dbraw/zinc/18/50/63/908185063.db2.gz VYJFVERKGOAGTR-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1CCC[C@](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC001177441906 908590572 /nfs/dbraw/zinc/59/05/72/908590572.db2.gz LRQAMFOQYYEBJN-VCBZYWHSSA-N 2 1 377.520 3.635 20 0 GHADMP CC(C)C[C@@H]([NH3+])c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)n1 ZINC000634555779 908764760 /nfs/dbraw/zinc/76/47/60/908764760.db2.gz VAAHIOYEHNCAKP-KZNAEPCWSA-N 2 1 397.548 3.955 20 0 GHADMP Cc1ccccc1Cc1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000634558853 908765472 /nfs/dbraw/zinc/76/54/72/908765472.db2.gz PCZKVDZPLWJTTF-UHFFFAOYSA-N 2 1 376.504 3.505 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC001177830187 908771336 /nfs/dbraw/zinc/77/13/36/908771336.db2.gz VUDYRDPXYRHZTL-NRFANRHFSA-N 2 1 379.548 3.819 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000195008561 908982920 /nfs/dbraw/zinc/98/29/20/908982920.db2.gz PWSWYSNSSHXZLI-FQEVSTJZSA-N 2 1 383.502 3.740 20 0 GHADMP CN(C)c1cccc(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001178290980 908988414 /nfs/dbraw/zinc/98/84/14/908988414.db2.gz OWGJUBFNGPQLPU-LJQANCHMSA-N 2 1 387.955 3.653 20 0 GHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCCn1cc[nH+]c1C ZINC000266542367 909210867 /nfs/dbraw/zinc/21/08/67/909210867.db2.gz QXVCQHXVCOCHIE-QFIPXVFZSA-N 2 1 397.567 3.525 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCCn1cc[nH+]c1C ZINC000266542367 909210883 /nfs/dbraw/zinc/21/08/83/909210883.db2.gz QXVCQHXVCOCHIE-QFIPXVFZSA-N 2 1 397.567 3.525 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3ccc(F)cc3)C3CCCCC3)cn2)CC1 ZINC001179364844 909508113 /nfs/dbraw/zinc/50/81/13/909508113.db2.gz CMLIQAUYJKYYPJ-QFIPXVFZSA-N 2 1 397.542 3.779 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)cc1 ZINC001179531852 909565913 /nfs/dbraw/zinc/56/59/13/909565913.db2.gz PUMGSUHHOAKETD-OALUTQOASA-N 2 1 388.449 3.922 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1OC(F)F ZINC001179817293 909748920 /nfs/dbraw/zinc/74/89/20/909748920.db2.gz QAABPBJRTPCIMD-NILFDRSVSA-N 2 1 389.284 3.789 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1OC(F)F ZINC001179817293 909748930 /nfs/dbraw/zinc/74/89/30/909748930.db2.gz QAABPBJRTPCIMD-NILFDRSVSA-N 2 1 389.284 3.789 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001179925132 909809151 /nfs/dbraw/zinc/80/91/51/909809151.db2.gz NJWWMQSFTIHPQB-BJLQDIEVSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001179925132 909809161 /nfs/dbraw/zinc/80/91/61/909809161.db2.gz NJWWMQSFTIHPQB-BJLQDIEVSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001179925132 909809176 /nfs/dbraw/zinc/80/91/76/909809176.db2.gz NJWWMQSFTIHPQB-BJLQDIEVSA-N 2 1 377.573 3.582 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001180042698 909910245 /nfs/dbraw/zinc/91/02/45/909910245.db2.gz HPRDABUVFJHLKX-VQTJNVASSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000637849979 909987556 /nfs/dbraw/zinc/98/75/56/909987556.db2.gz TXKSJEHEKQLFGM-MJUUVYJYSA-N 2 1 397.588 3.550 20 0 GHADMP Cn1cnnc1C1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637940321 910008331 /nfs/dbraw/zinc/00/83/31/910008331.db2.gz GGGFFUDFCMPJIG-DEOSSOPVSA-N 2 1 395.595 3.933 20 0 GHADMP [NH3+]C1(CC(=O)Nc2ccccc2OCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638013264 910031643 /nfs/dbraw/zinc/03/16/43/910031643.db2.gz PKEHCJJFJSEVNK-UHFFFAOYSA-N 2 1 393.531 3.798 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268855973 910047634 /nfs/dbraw/zinc/04/76/34/910047634.db2.gz XPHPFYISIFLGRT-SFHVURJKSA-N 2 1 377.532 3.929 20 0 GHADMP COC(=O)c1[nH]c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C ZINC001180302013 910058205 /nfs/dbraw/zinc/05/82/05/910058205.db2.gz SDRTWQAHRPIAHN-CEWLAPEOSA-N 2 1 381.520 3.500 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000268939435 910076314 /nfs/dbraw/zinc/07/63/14/910076314.db2.gz ZRCFJDSLVHYOJI-INIZCTEOSA-N 2 1 376.932 3.652 20 0 GHADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC000246463120 910308280 /nfs/dbraw/zinc/30/82/80/910308280.db2.gz OEFAGWMEXREGEX-ICSRJNTNSA-N 2 1 385.552 3.900 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC000246463120 910308289 /nfs/dbraw/zinc/30/82/89/910308289.db2.gz OEFAGWMEXREGEX-ICSRJNTNSA-N 2 1 385.552 3.900 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC000246463120 910308301 /nfs/dbraw/zinc/30/83/01/910308301.db2.gz OEFAGWMEXREGEX-ICSRJNTNSA-N 2 1 385.552 3.900 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC000246463120 910308315 /nfs/dbraw/zinc/30/83/15/910308315.db2.gz OEFAGWMEXREGEX-ICSRJNTNSA-N 2 1 385.552 3.900 20 0 GHADMP CC(C)(C)[C@]1(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639296504 910378790 /nfs/dbraw/zinc/37/87/90/910378790.db2.gz VFTRNZRELMONMB-RDPSFJRHSA-N 2 1 383.580 3.525 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639304572 910381145 /nfs/dbraw/zinc/38/11/45/910381145.db2.gz WZIWVPRRTNWAIH-LADGPHEKSA-N 2 1 377.532 3.780 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639304572 910381164 /nfs/dbraw/zinc/38/11/64/910381164.db2.gz WZIWVPRRTNWAIH-LADGPHEKSA-N 2 1 377.532 3.780 20 0 GHADMP c1ccc([C@@H](C[NH+]2CCC[C@@H]3COCC[C@@H]32)C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000639516316 910480157 /nfs/dbraw/zinc/48/01/57/910480157.db2.gz QVVIPRJITMFSSM-JYSSUKAJSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@H](C[NH+]2CCC[C@@H]3COCC[C@H]32)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516316 910480160 /nfs/dbraw/zinc/48/01/60/910480160.db2.gz QVVIPRJITMFSSM-JYSSUKAJSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@H](C[NH+]2CCC[C@@H]3COCC[C@H]32)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000639516316 910480167 /nfs/dbraw/zinc/48/01/67/910480167.db2.gz QVVIPRJITMFSSM-JYSSUKAJSA-N 2 1 398.591 3.772 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000270328452 910521276 /nfs/dbraw/zinc/52/12/76/910521276.db2.gz KVCDGBHXJGOITO-MRXNPFEDSA-N 2 1 384.442 3.555 20 0 GHADMP CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000270328452 910521287 /nfs/dbraw/zinc/52/12/87/910521287.db2.gz KVCDGBHXJGOITO-MRXNPFEDSA-N 2 1 384.442 3.555 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000270328452 910521298 /nfs/dbraw/zinc/52/12/98/910521298.db2.gz KVCDGBHXJGOITO-MRXNPFEDSA-N 2 1 384.442 3.555 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000270328452 910521301 /nfs/dbraw/zinc/52/13/01/910521301.db2.gz KVCDGBHXJGOITO-MRXNPFEDSA-N 2 1 384.442 3.555 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC2OCCCO2)CC1 ZINC000270357285 910532788 /nfs/dbraw/zinc/53/27/88/910532788.db2.gz VTAPOTYVAHCLSJ-UHFFFAOYSA-N 2 1 386.458 3.755 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC2OCCCO2)CC1 ZINC000270357285 910532793 /nfs/dbraw/zinc/53/27/93/910532793.db2.gz VTAPOTYVAHCLSJ-UHFFFAOYSA-N 2 1 386.458 3.755 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681850 910612177 /nfs/dbraw/zinc/61/21/77/910612177.db2.gz FVRSEPVJRGFIOW-OAHLLOKOSA-N 2 1 392.425 3.640 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681850 910612187 /nfs/dbraw/zinc/61/21/87/910612187.db2.gz FVRSEPVJRGFIOW-OAHLLOKOSA-N 2 1 392.425 3.640 20 0 GHADMP CC[C@@H](C)[N@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000270835552 910714521 /nfs/dbraw/zinc/71/45/21/910714521.db2.gz MJWTVRSLMSUNEY-CQSZACIVSA-N 2 1 382.430 3.950 20 0 GHADMP CC[C@@H](C)[N@@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000270835552 910714534 /nfs/dbraw/zinc/71/45/34/910714534.db2.gz MJWTVRSLMSUNEY-CQSZACIVSA-N 2 1 382.430 3.950 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C34CC[NH+](CC3)CC4)cccc2[C@H](c2ccccc2)C1 ZINC001181550666 910834686 /nfs/dbraw/zinc/83/46/86/910834686.db2.gz LEXIKPTUKBGLIH-FQEVSTJZSA-N 2 1 375.516 3.688 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001181869627 911052160 /nfs/dbraw/zinc/05/21/60/911052160.db2.gz YUQIOZWSRUAAEL-UHFFFAOYSA-N 2 1 399.501 3.994 20 0 GHADMP O=C(CC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001182045048 911148099 /nfs/dbraw/zinc/14/80/99/911148099.db2.gz LDXOONIXSOMXNQ-JOCHJYFZSA-N 2 1 383.580 3.812 20 0 GHADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)[C@H](C(=O)OC)c1ccccc1C ZINC000466799766 911632147 /nfs/dbraw/zinc/63/21/47/911632147.db2.gz ASABBCINNHDDNN-QFIPXVFZSA-N 2 1 381.520 3.843 20 0 GHADMP CCN(CC1CCN(c2ccccn2)CC1)[C@H](C(=O)OC)c1ccccc1C ZINC000466799766 911632154 /nfs/dbraw/zinc/63/21/54/911632154.db2.gz ASABBCINNHDDNN-QFIPXVFZSA-N 2 1 381.520 3.843 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284043552 911731804 /nfs/dbraw/zinc/73/18/04/911731804.db2.gz RWBKGFYRTJMGKY-RTBURBONSA-N 2 1 391.968 3.931 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000092821007 911840084 /nfs/dbraw/zinc/84/00/84/911840084.db2.gz IPPZQOXKTNLYQR-OAQYLSRUSA-N 2 1 375.463 3.632 20 0 GHADMP C[C@H](C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001299399142 912022446 /nfs/dbraw/zinc/02/24/46/912022446.db2.gz QRAXZVYYTXUDIF-YKSBVNFPSA-N 2 1 391.559 3.503 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001182798102 912029571 /nfs/dbraw/zinc/02/95/71/912029571.db2.gz FYJGPVUTGLNDRC-NRFANRHFSA-N 2 1 375.532 3.609 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001182798102 912029588 /nfs/dbraw/zinc/02/95/88/912029588.db2.gz FYJGPVUTGLNDRC-NRFANRHFSA-N 2 1 375.532 3.609 20 0 GHADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001182848031 912060571 /nfs/dbraw/zinc/06/05/71/912060571.db2.gz CJRTWTOAMXWQIG-ZEQRLZLVSA-N 2 1 391.559 3.772 20 0 GHADMP CC(C)[N@H+]1CC[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001182848031 912060584 /nfs/dbraw/zinc/06/05/84/912060584.db2.gz CJRTWTOAMXWQIG-ZEQRLZLVSA-N 2 1 391.559 3.772 20 0 GHADMP CC(C)[NH+]1CC[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001182848031 912060602 /nfs/dbraw/zinc/06/06/02/912060602.db2.gz CJRTWTOAMXWQIG-ZEQRLZLVSA-N 2 1 391.559 3.772 20 0 GHADMP CC(C)[NH+]1CC[C@H]1C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001182848031 912060619 /nfs/dbraw/zinc/06/06/19/912060619.db2.gz CJRTWTOAMXWQIG-ZEQRLZLVSA-N 2 1 391.559 3.772 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1cccs1 ZINC000647333080 915156000 /nfs/dbraw/zinc/15/60/00/915156000.db2.gz LELBRMBQWQAGDT-YYWHXJBOSA-N 2 1 385.577 3.643 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NCc1cccs1 ZINC000647333080 915156004 /nfs/dbraw/zinc/15/60/04/915156004.db2.gz LELBRMBQWQAGDT-YYWHXJBOSA-N 2 1 385.577 3.643 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CC(c1ccc(F)cc1)c1ccc(F)cc1)CCO2 ZINC000648072000 915507527 /nfs/dbraw/zinc/50/75/27/915507527.db2.gz GHWFAVRZLFDJLW-UHFFFAOYSA-N 2 1 386.486 3.893 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292755535 915828912 /nfs/dbraw/zinc/82/89/12/915828912.db2.gz VEDFTJDTUJOHHB-QFIPXVFZSA-N 2 1 381.524 3.614 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292755535 915828935 /nfs/dbraw/zinc/82/89/35/915828935.db2.gz VEDFTJDTUJOHHB-QFIPXVFZSA-N 2 1 381.524 3.614 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000648850795 915908134 /nfs/dbraw/zinc/90/81/34/915908134.db2.gz IQYLGDSDBJMPJR-SFHVURJKSA-N 2 1 383.540 3.557 20 0 GHADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C[NH+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000649421974 916150034 /nfs/dbraw/zinc/15/00/34/916150034.db2.gz YNXVTFVXQGUAGM-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP CO[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000649421974 916150045 /nfs/dbraw/zinc/15/00/45/916150045.db2.gz YNXVTFVXQGUAGM-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP CO[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000649421974 916150053 /nfs/dbraw/zinc/15/00/53/916150053.db2.gz YNXVTFVXQGUAGM-RTWAWAEBSA-N 2 1 378.532 3.828 20 0 GHADMP Nc1cn(C(=O)c2ccc(C[NH+]3CCCCC3)o2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001189742850 916865209 /nfs/dbraw/zinc/86/52/09/916865209.db2.gz ZNALSAGOJHKDMN-UHFFFAOYSA-N 2 1 394.450 3.623 20 0 GHADMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000361802981 916922405 /nfs/dbraw/zinc/92/24/05/916922405.db2.gz FOPQUOUZTHHVFZ-GOSISDBHSA-N 2 1 382.508 3.552 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650414875 916962926 /nfs/dbraw/zinc/96/29/26/916962926.db2.gz DMSCTQKNUFFQQS-KRWDZBQOSA-N 2 1 378.586 3.725 20 0 GHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707507 917243295 /nfs/dbraw/zinc/24/32/95/917243295.db2.gz HLNICROSNJKQEJ-VCOUNFBDSA-N 2 1 396.579 3.888 20 0 GHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(-c2cc3ccccc3o2)n1 ZINC000650705992 917243439 /nfs/dbraw/zinc/24/34/39/917243439.db2.gz BNMDAYFNEJMWNM-DSKINZAPSA-N 2 1 394.519 3.552 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(COc3ccccc3)n2)C1 ZINC000650723939 917250413 /nfs/dbraw/zinc/25/04/13/917250413.db2.gz WBVUAZAGRNWTDU-UXPWSPDFSA-N 2 1 387.549 3.583 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(COc3ccccc3)n2)C1 ZINC000650723939 917250423 /nfs/dbraw/zinc/25/04/23/917250423.db2.gz WBVUAZAGRNWTDU-UXPWSPDFSA-N 2 1 387.549 3.583 20 0 GHADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC001191173460 917800528 /nfs/dbraw/zinc/80/05/28/917800528.db2.gz FCSCAXFWQGXGFZ-YGFFAISXSA-N 2 1 379.589 3.828 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cs2)c1 ZINC000652363089 917883213 /nfs/dbraw/zinc/88/32/13/917883213.db2.gz XPCQWFMTGGLQMX-PWIZWCRZSA-N 2 1 387.549 3.680 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653153393 918144028 /nfs/dbraw/zinc/14/40/28/918144028.db2.gz OHBNXDUANYZTBD-MOPGFXCFSA-N 2 1 396.362 3.605 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(N)=O ZINC000296600777 918448725 /nfs/dbraw/zinc/44/87/25/918448725.db2.gz VOSUNDDGPJJQFB-FNAHDJPLSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(N)=O ZINC000296600777 918448732 /nfs/dbraw/zinc/44/87/32/918448732.db2.gz VOSUNDDGPJJQFB-FNAHDJPLSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(N)=O ZINC000296600777 918448737 /nfs/dbraw/zinc/44/87/37/918448737.db2.gz VOSUNDDGPJJQFB-FNAHDJPLSA-N 2 1 383.580 3.796 20 0 GHADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000381917479 919716940 /nfs/dbraw/zinc/71/69/40/919716940.db2.gz MDEAEIFIZHJRCC-GOSISDBHSA-N 2 1 375.557 3.934 20 0 GHADMP C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382019898 919718576 /nfs/dbraw/zinc/71/85/76/919718576.db2.gz XONNZCPLAXPAPM-IEBWSBKVSA-N 2 1 375.557 3.790 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1)CC(C)C ZINC000800367113 919971803 /nfs/dbraw/zinc/97/18/03/919971803.db2.gz CQRJABRSEWKXNI-UHFFFAOYSA-N 2 1 381.605 3.933 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1)C[C@@H]1CCCCO1 ZINC000901319720 921015683 /nfs/dbraw/zinc/01/56/83/921015683.db2.gz KWEHUFOKBDQYAP-NRFANRHFSA-N 2 1 385.552 3.500 20 0 GHADMP [NH3+]CCCC[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1F ZINC000902362858 922124123 /nfs/dbraw/zinc/12/41/23/922124123.db2.gz WNVCZJTZBWPOAH-OAQYLSRUSA-N 2 1 395.538 3.760 20 0 GHADMP COC(=O)c1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(C)c1 ZINC000902799938 922504115 /nfs/dbraw/zinc/50/41/15/922504115.db2.gz HZHSYACNRUWSJJ-KRWDZBQOSA-N 2 1 399.535 3.949 20 0 GHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000903127989 922796334 /nfs/dbraw/zinc/79/63/34/922796334.db2.gz PNWYCXOECBETQC-ITDBNAKBSA-N 2 1 379.552 3.702 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)c2)n1 ZINC000903158562 922818739 /nfs/dbraw/zinc/81/87/39/922818739.db2.gz ULVVXPQJLCTKCM-JLYLLQBASA-N 2 1 397.544 3.844 20 0 GHADMP C[C@@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000369195310 923196621 /nfs/dbraw/zinc/19/66/21/923196621.db2.gz UJHQYPXOMMHTNW-DLBZAZTESA-N 2 1 383.502 3.909 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000903793090 923300145 /nfs/dbraw/zinc/30/01/45/923300145.db2.gz MRCNBZJTQONMHB-UHFFFAOYSA-N 2 1 388.471 3.574 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000369829678 923652937 /nfs/dbraw/zinc/65/29/37/923652937.db2.gz DZNHSJLNGPHGBM-SFHVURJKSA-N 2 1 386.584 3.872 20 0 GHADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000370215201 923962525 /nfs/dbraw/zinc/96/25/25/923962525.db2.gz JFVNYRJYBODKTM-KRWDZBQOSA-N 2 1 377.598 3.506 20 0 GHADMP CCCCC[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370264088 923994335 /nfs/dbraw/zinc/99/43/35/923994335.db2.gz FLLZEXJIMSTMQF-LJQANCHMSA-N 2 1 380.621 3.793 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000371185625 924464501 /nfs/dbraw/zinc/46/45/01/924464501.db2.gz SYNWULXAIRCQHL-VAMGGRTRSA-N 2 1 389.540 3.717 20 0 GHADMP c1ccc2c(c1)CC[C@]21C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000678278163 924703884 /nfs/dbraw/zinc/70/38/84/924703884.db2.gz URMZLNJJQZLTBB-VWLOTQADSA-N 2 1 392.543 3.835 20 0 GHADMP Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(-c2cc3ccccc3o2)n1 ZINC000678339007 924732790 /nfs/dbraw/zinc/73/27/90/924732790.db2.gz LACKFIFKTSMRDS-SVFBPWRDSA-N 2 1 394.519 3.517 20 0 GHADMP Cn1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(-c2cc3ccccc3o2)n1 ZINC000678339007 924732794 /nfs/dbraw/zinc/73/27/94/924732794.db2.gz LACKFIFKTSMRDS-SVFBPWRDSA-N 2 1 394.519 3.517 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)NCc1ccccc1 ZINC000680039086 925339223 /nfs/dbraw/zinc/33/92/23/925339223.db2.gz RKQMAHBTJQJMGW-ZMUKGBGYSA-N 2 1 391.559 3.582 20 0 GHADMP CN(C)c1cc[nH+]c(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000680257845 925409424 /nfs/dbraw/zinc/40/94/24/925409424.db2.gz WKSQAVZXPQYAII-LJQANCHMSA-N 2 1 392.425 3.541 20 0 GHADMP Fc1cccc(Br)c1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001137463001 925919869 /nfs/dbraw/zinc/91/98/69/925919869.db2.gz NQLSBHWTJZXSII-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP Fc1nc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001137472334 925938580 /nfs/dbraw/zinc/93/85/80/925938580.db2.gz WFMRLMFMWXXCBE-UHFFFAOYSA-N 2 1 395.931 3.803 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1Cl ZINC000682824248 926261371 /nfs/dbraw/zinc/26/13/71/926261371.db2.gz DCBVKUVJJMDPDP-GOSISDBHSA-N 2 1 380.964 3.506 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000392233437 926405011 /nfs/dbraw/zinc/40/50/11/926405011.db2.gz CFMVHPNOJBXGEF-VAMGGRTRSA-N 2 1 377.573 3.796 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000398034207 926485825 /nfs/dbraw/zinc/48/58/25/926485825.db2.gz MKEMQCBVOKGAPY-MJGOQNOKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000398034207 926485830 /nfs/dbraw/zinc/48/58/30/926485830.db2.gz MKEMQCBVOKGAPY-MJGOQNOKSA-N 2 1 375.557 3.790 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000373934681 926572217 /nfs/dbraw/zinc/57/22/17/926572217.db2.gz QVGOYOZGLGAYNU-PMACEKPBSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000373934681 926572224 /nfs/dbraw/zinc/57/22/24/926572224.db2.gz QVGOYOZGLGAYNU-PMACEKPBSA-N 2 1 381.524 3.803 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)c1ccco1 ZINC000411687487 926640993 /nfs/dbraw/zinc/64/09/93/926640993.db2.gz ABKQKHXXMCWXKN-QFIPXVFZSA-N 2 1 395.547 3.908 20 0 GHADMP CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411695526 926647393 /nfs/dbraw/zinc/64/73/93/926647393.db2.gz TWCTZTDBERZHIP-UHFFFAOYSA-N 2 1 385.577 3.872 20 0 GHADMP CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411695526 926647397 /nfs/dbraw/zinc/64/73/97/926647397.db2.gz TWCTZTDBERZHIP-UHFFFAOYSA-N 2 1 385.577 3.872 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000374286942 926982448 /nfs/dbraw/zinc/98/24/48/926982448.db2.gz IEGCRIBUOXDTTI-YLJYHZDGSA-N 2 1 383.502 3.909 20 0 GHADMP Cc1c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)sc2nc(C)nc(C)c12 ZINC000749842780 927308262 /nfs/dbraw/zinc/30/82/62/927308262.db2.gz WYNNODMFYHHIGO-UHFFFAOYSA-N 2 1 396.564 3.782 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000543844755 928491119 /nfs/dbraw/zinc/49/11/19/928491119.db2.gz XULSIZYGUKZXGM-JOCHJYFZSA-N 2 1 383.624 3.920 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCc2ccccc2C1 ZINC000543844755 928491125 /nfs/dbraw/zinc/49/11/25/928491125.db2.gz XULSIZYGUKZXGM-JOCHJYFZSA-N 3 1 383.624 3.920 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCc2ccccc2C1 ZINC000543844755 928491135 /nfs/dbraw/zinc/49/11/35/928491135.db2.gz XULSIZYGUKZXGM-JOCHJYFZSA-N 3 1 383.624 3.920 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4cc(F)c(OC)cc43)cc2)CC1 ZINC000467388551 929025651 /nfs/dbraw/zinc/02/56/51/929025651.db2.gz LYJNNZHRRDRPDU-HSZRJFAPSA-N 2 1 397.538 3.749 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000544349200 929079371 /nfs/dbraw/zinc/07/93/71/929079371.db2.gz UKZOGSIERHCDRS-FQEVSTJZSA-N 2 1 376.460 3.684 20 0 GHADMP Cc1cc(C)c(CCNC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544421008 929157120 /nfs/dbraw/zinc/15/71/20/929157120.db2.gz OMPWIMVTQZGDSC-LEWJYISDSA-N 2 1 385.596 3.513 20 0 GHADMP Cc1cc(C)c(CCNC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544421008 929157125 /nfs/dbraw/zinc/15/71/25/929157125.db2.gz OMPWIMVTQZGDSC-LEWJYISDSA-N 2 1 385.596 3.513 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000753096235 929202436 /nfs/dbraw/zinc/20/24/36/929202436.db2.gz DIGLLEPFBWRGJN-YTFSRNRJSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000753547372 929405502 /nfs/dbraw/zinc/40/55/02/929405502.db2.gz PLKGPGZFEZCCIY-AEFFLSMTSA-N 2 1 399.539 3.701 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCCC1(C)C ZINC000469313817 929785239 /nfs/dbraw/zinc/78/52/39/929785239.db2.gz ZANAGKITORWPJO-OAQYLSRUSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000469757721 930139729 /nfs/dbraw/zinc/13/97/29/930139729.db2.gz NPCOIZSNVVNMQR-UAKAABGRSA-N 2 1 397.538 3.749 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000469757721 930139732 /nfs/dbraw/zinc/13/97/32/930139732.db2.gz NPCOIZSNVVNMQR-UAKAABGRSA-N 2 1 397.538 3.749 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000470373497 930568788 /nfs/dbraw/zinc/56/87/88/930568788.db2.gz MUXQZHCTRTZRCP-OXQOHEQNSA-N 2 1 387.886 3.505 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470489926 930661285 /nfs/dbraw/zinc/66/12/85/930661285.db2.gz NAWAXAIXAAGXHW-JOCHJYFZSA-N 2 1 388.600 3.659 20 0 GHADMP CN(C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470735858 930868559 /nfs/dbraw/zinc/86/85/59/930868559.db2.gz DNNVYXITIZGDHV-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000470748932 930880270 /nfs/dbraw/zinc/88/02/70/930880270.db2.gz HVXSTAPZGPSANU-QHCPKHFHSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)[C@@H](C)CN1C ZINC000781903781 931020775 /nfs/dbraw/zinc/02/07/75/931020775.db2.gz XBTKHHAHEPPEGW-BJESRGMDSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2C[C@H](C)N(C)C[C@@H]2C)[C@@H](C)CN1C ZINC000781903781 931020784 /nfs/dbraw/zinc/02/07/84/931020784.db2.gz XBTKHHAHEPPEGW-BJESRGMDSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[N@H+](CCCCCCCCC[NH+]2C[C@H](C)N(C)C[C@@H]2C)[C@@H](C)CN1C ZINC000781903781 931020799 /nfs/dbraw/zinc/02/07/99/931020799.db2.gz XBTKHHAHEPPEGW-BJESRGMDSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2)C[C@@H](C2CC2)O1 ZINC000470916254 931027823 /nfs/dbraw/zinc/02/78/23/931027823.db2.gz IRYFZINOVVHYNP-ZJYDQZTPSA-N 2 1 384.564 3.685 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2)C[C@@H](C2CC2)O1 ZINC000470916254 931027831 /nfs/dbraw/zinc/02/78/31/931027831.db2.gz IRYFZINOVVHYNP-ZJYDQZTPSA-N 2 1 384.564 3.685 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2)C[C@@H](C2CC2)O1 ZINC000470916254 931027838 /nfs/dbraw/zinc/02/78/38/931027838.db2.gz IRYFZINOVVHYNP-ZJYDQZTPSA-N 2 1 384.564 3.685 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCCS2 ZINC000783238269 931471006 /nfs/dbraw/zinc/47/10/06/931471006.db2.gz GHDNKIBWHPKQCT-ICSRJNTNSA-N 2 1 376.566 3.855 20 0 GHADMP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000924930911 931589479 /nfs/dbraw/zinc/58/94/79/931589479.db2.gz ZFQOZPFLTSEZDH-MRXNPFEDSA-N 2 1 387.524 3.632 20 0 GHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+](C)C ZINC000557821985 931706675 /nfs/dbraw/zinc/70/66/75/931706675.db2.gz VJRJLJSKRGIREC-SIKLNZKXSA-N 2 1 388.600 3.748 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1 ZINC000783929363 931720815 /nfs/dbraw/zinc/72/08/15/931720815.db2.gz UPASJONLZHEQCL-UHFFFAOYSA-N 2 1 396.535 3.521 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(N2CCCC2)n1 ZINC000558505070 932040511 /nfs/dbraw/zinc/04/05/11/932040511.db2.gz WMMOPZXHITWROA-KMDXXIMOSA-N 2 1 390.575 3.990 20 0 GHADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796747346 932052153 /nfs/dbraw/zinc/05/21/53/932052153.db2.gz SENGOIWREUZOGA-ZGXWSNOMSA-N 2 1 397.604 3.549 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000796747346 932052156 /nfs/dbraw/zinc/05/21/56/932052156.db2.gz SENGOIWREUZOGA-ZGXWSNOMSA-N 2 1 397.604 3.549 20 0 GHADMP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000558604777 932103029 /nfs/dbraw/zinc/10/30/29/932103029.db2.gz CVXDSYUDLJRCPC-CTNGQTDRSA-N 2 1 388.600 3.564 20 0 GHADMP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000926768071 932298626 /nfs/dbraw/zinc/29/86/26/932298626.db2.gz HIGCQDCYTWHZBE-CVNLYIMZSA-N 2 1 380.536 3.835 20 0 GHADMP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000926768071 932298635 /nfs/dbraw/zinc/29/86/35/932298635.db2.gz HIGCQDCYTWHZBE-CVNLYIMZSA-N 2 1 380.536 3.835 20 0 GHADMP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)O2)CO1 ZINC000926880614 932335262 /nfs/dbraw/zinc/33/52/62/932335262.db2.gz YTBSLOIHSOBXBQ-KGYFDXFPSA-N 2 1 384.564 3.888 20 0 GHADMP OC[C@@]1(c2ccccc2)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000927156574 932434689 /nfs/dbraw/zinc/43/46/89/932434689.db2.gz LJUWSCCHKXVYMG-UDNBIFARSA-N 2 1 376.544 3.864 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000798415524 932638560 /nfs/dbraw/zinc/63/85/60/932638560.db2.gz GETJYCFSDOKBFR-NZQKXSOJSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482941 932665225 /nfs/dbraw/zinc/66/52/25/932665225.db2.gz PXFVQJYPDRRSBA-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798498818 932673902 /nfs/dbraw/zinc/67/39/02/932673902.db2.gz JGUNFXCICPNUGR-HSZRJFAPSA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498818 932673905 /nfs/dbraw/zinc/67/39/05/932673905.db2.gz JGUNFXCICPNUGR-HSZRJFAPSA-N 2 1 384.520 3.714 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935492 932823391 /nfs/dbraw/zinc/82/33/91/932823391.db2.gz PNJXGBKIGGCFPL-SXWKCWPCSA-N 2 1 387.568 3.934 20 0 GHADMP Cn1c2cc(Br)ccc2nc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178504 932900252 /nfs/dbraw/zinc/90/02/52/932900252.db2.gz XMHGGFRTMOSXEG-UHFFFAOYSA-N 2 1 391.357 3.644 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)CC1 ZINC000799178218 932900455 /nfs/dbraw/zinc/90/04/55/932900455.db2.gz PWCAWMKFQHAXDC-SFHVURJKSA-N 2 1 396.362 3.907 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)CC1 ZINC000799178218 932900461 /nfs/dbraw/zinc/90/04/61/932900461.db2.gz PWCAWMKFQHAXDC-SFHVURJKSA-N 2 1 396.362 3.907 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000559923563 932958294 /nfs/dbraw/zinc/95/82/94/932958294.db2.gz MOPAAOXOBTYXSD-FDTLVRFQSA-N 2 1 382.552 3.634 20 0 GHADMP Cc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)cn2cc[nH+]c12 ZINC000560443262 933262231 /nfs/dbraw/zinc/26/22/31/933262231.db2.gz FFVFVKLUFUTIPD-KRWDZBQOSA-N 2 1 377.492 3.629 20 0 GHADMP Cc1cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cn2cc[nH+]c12 ZINC000560443262 933262235 /nfs/dbraw/zinc/26/22/35/933262235.db2.gz FFVFVKLUFUTIPD-KRWDZBQOSA-N 2 1 377.492 3.629 20 0 GHADMP C[C@@H]1C[C@H](NCC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000560892776 933659201 /nfs/dbraw/zinc/65/92/01/933659201.db2.gz OHAXOCRYNXOBJW-GDBMZVCRSA-N 2 1 391.437 3.685 20 0 GHADMP CC(C)c1ccc2occ(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2c1 ZINC000561084125 933847474 /nfs/dbraw/zinc/84/74/74/933847474.db2.gz GXCKQKPNMXKEBT-UHFFFAOYSA-N 2 1 378.476 3.955 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(Cc4ccccc4)CCC3)CC2)CC1 ZINC000561290514 934025390 /nfs/dbraw/zinc/02/53/90/934025390.db2.gz ALENIGBNELGTRP-UHFFFAOYSA-N 2 1 397.607 3.712 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561316709 934047237 /nfs/dbraw/zinc/04/72/37/934047237.db2.gz WYQBTWMEDULQGT-OYDLWJJNSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561316709 934047244 /nfs/dbraw/zinc/04/72/44/934047244.db2.gz WYQBTWMEDULQGT-OYDLWJJNSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561316709 934047250 /nfs/dbraw/zinc/04/72/50/934047250.db2.gz WYQBTWMEDULQGT-OYDLWJJNSA-N 2 1 391.559 3.535 20 0 GHADMP CCOc1cc(C[NH2+]CC[C@@H](C)[NH2+]C)cc(Br)c1OC(F)F ZINC001118020760 934078751 /nfs/dbraw/zinc/07/87/51/934078751.db2.gz XXLLJXSOOIJVQT-SNVBAGLBSA-N 2 1 381.261 3.537 20 0 GHADMP CC[N@H+](Cc1nnc(-c2ccccc2OC)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC001118903567 934278886 /nfs/dbraw/zinc/27/88/86/934278886.db2.gz NCEQCRQLJHYVCV-UHFFFAOYSA-N 2 1 380.492 3.829 20 0 GHADMP CC[N@@H+](Cc1nnc(-c2ccccc2OC)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC001118903567 934278892 /nfs/dbraw/zinc/27/88/92/934278892.db2.gz NCEQCRQLJHYVCV-UHFFFAOYSA-N 2 1 380.492 3.829 20 0 GHADMP C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)CC2)CC1 ZINC001118988691 934298248 /nfs/dbraw/zinc/29/82/48/934298248.db2.gz WDJOTEVPQOKRTF-HXUWFJFHSA-N 2 1 398.595 3.828 20 0 GHADMP CC(=O)N1CCC([N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000931084559 934368033 /nfs/dbraw/zinc/36/80/33/934368033.db2.gz QHDYBFDQSIGHCL-QHCPKHFHSA-N 2 1 383.580 3.620 20 0 GHADMP CCSc1cccc(F)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000562109867 934702370 /nfs/dbraw/zinc/70/23/70/934702370.db2.gz IJPNNJXRXBVHHB-INIZCTEOSA-N 2 1 396.576 3.818 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(Cc4cc(F)cc(C(F)(F)F)c4)C[C@@H]3C2)cn1 ZINC001137861215 935831114 /nfs/dbraw/zinc/83/11/14/935831114.db2.gz AELFCVMVLPWZFZ-SJORKVTESA-N 2 1 396.432 3.532 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000544847644 1015094397 /nfs/dbraw/zinc/09/43/97/1015094397.db2.gz PWMPEDRJGVXMFS-VGSWGCGISA-N 2 1 399.966 3.901 20 0 GHADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468804046 1016050648 /nfs/dbraw/zinc/05/06/48/1016050648.db2.gz CKUXOCJAMVCAFN-UHFFFAOYSA-N 2 1 391.466 3.541 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468804046 1016050661 /nfs/dbraw/zinc/05/06/61/1016050661.db2.gz CKUXOCJAMVCAFN-UHFFFAOYSA-N 2 1 391.466 3.541 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468838166 1016091681 /nfs/dbraw/zinc/09/16/81/1016091681.db2.gz DKPXZWZEXKCIMC-MQFRRQCYSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000468838166 1016091690 /nfs/dbraw/zinc/09/16/90/1016091690.db2.gz DKPXZWZEXKCIMC-MQFRRQCYSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000468838166 1016091702 /nfs/dbraw/zinc/09/17/02/1016091702.db2.gz DKPXZWZEXKCIMC-MQFRRQCYSA-N 2 1 383.580 3.905 20 0 GHADMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccc2ccccc2c1 ZINC001220918699 1032189463 /nfs/dbraw/zinc/18/94/63/1032189463.db2.gz CGUDBXZAONCPPN-FCHUYYIVSA-N 2 1 379.548 3.623 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC001221435453 1032414661 /nfs/dbraw/zinc/41/46/61/1032414661.db2.gz QVRNWOZPPKFSDH-RZUBCFFCSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001221435453 1032414663 /nfs/dbraw/zinc/41/46/63/1032414663.db2.gz QVRNWOZPPKFSDH-RZUBCFFCSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001221435453 1032414665 /nfs/dbraw/zinc/41/46/65/1032414665.db2.gz QVRNWOZPPKFSDH-RZUBCFFCSA-N 2 1 388.600 3.563 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[NH+](C)C)cc1 ZINC001221537642 1032453564 /nfs/dbraw/zinc/45/35/64/1032453564.db2.gz PAVJRLHUAGZRLV-PMOQBDJRSA-N 2 1 394.563 3.560 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001221738921 1032520695 /nfs/dbraw/zinc/52/06/95/1032520695.db2.gz AUBBLHMMMATZOR-FQEVSTJZSA-N 2 1 386.584 3.513 20 0 GHADMP c1cc2n(c1)C[C@@H](CCNc1[nH+]cnc3c1ccn3Cc1ccccc1)C[NH2+]C2 ZINC001155458922 1032550751 /nfs/dbraw/zinc/55/07/51/1032550751.db2.gz LXZMFNBEYOKJPJ-IBGZPJMESA-N 2 1 386.503 3.503 20 0 GHADMP c1c(-c2ccccc2)c2c(nc[nH+]c2NC[C@@]23C[NH2+][C@@H](CO2)C3)n1-c1ccccc1 ZINC001155543751 1032575542 /nfs/dbraw/zinc/57/55/42/1032575542.db2.gz QKBFMCRQGVOSQL-HOYKHHGWSA-N 2 1 397.482 3.630 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149656 1032603057 /nfs/dbraw/zinc/60/30/57/1032603057.db2.gz WVMZLTCNBWZJNJ-WWNPGLIZSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149656 1032603061 /nfs/dbraw/zinc/60/30/61/1032603061.db2.gz WVMZLTCNBWZJNJ-WWNPGLIZSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149656 1032603065 /nfs/dbraw/zinc/60/30/65/1032603065.db2.gz WVMZLTCNBWZJNJ-WWNPGLIZSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149656 1032603069 /nfs/dbraw/zinc/60/30/69/1032603069.db2.gz WVMZLTCNBWZJNJ-WWNPGLIZSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149654 1032603859 /nfs/dbraw/zinc/60/38/59/1032603859.db2.gz WVMZLTCNBWZJNJ-MDNUFGMLSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149654 1032603864 /nfs/dbraw/zinc/60/38/64/1032603864.db2.gz WVMZLTCNBWZJNJ-MDNUFGMLSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149654 1032603870 /nfs/dbraw/zinc/60/38/70/1032603870.db2.gz WVMZLTCNBWZJNJ-MDNUFGMLSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001204149654 1032603879 /nfs/dbraw/zinc/60/38/79/1032603879.db2.gz WVMZLTCNBWZJNJ-MDNUFGMLSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001204152816 1032605505 /nfs/dbraw/zinc/60/55/05/1032605505.db2.gz SBKVXYRWEPVBSP-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001204152816 1032605515 /nfs/dbraw/zinc/60/55/15/1032605515.db2.gz SBKVXYRWEPVBSP-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001204152816 1032605526 /nfs/dbraw/zinc/60/55/26/1032605526.db2.gz SBKVXYRWEPVBSP-XZOQPEGZSA-N 2 1 378.516 3.817 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC001227861759 1032652274 /nfs/dbraw/zinc/65/22/74/1032652274.db2.gz BYQIJSGAHSSWGD-NRFANRHFSA-N 2 1 386.584 3.591 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001204269123 1032711520 /nfs/dbraw/zinc/71/15/20/1032711520.db2.gz UZERSUJJWJTCMP-LJQANCHMSA-N 2 1 376.541 3.571 20 0 GHADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204270006 1032713113 /nfs/dbraw/zinc/71/31/13/1032713113.db2.gz MVAQZUORFBBSKQ-UHFFFAOYSA-N 2 1 393.572 3.752 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000562767781 1018615975 /nfs/dbraw/zinc/61/59/75/1018615975.db2.gz ONNBKKGLHRNMAX-SFHVURJKSA-N 2 1 392.547 3.886 20 0 GHADMP Brc1cccc2c1C[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CC2 ZINC000562768556 1018616106 /nfs/dbraw/zinc/61/61/06/1018616106.db2.gz VRTFREDEMCUAJL-KRWDZBQOSA-N 2 1 393.369 3.541 20 0 GHADMP C[NH+](C)CCCOc1ccc(Nc2cccc(CC[NH+]3CCOCC3)c2)cc1 ZINC001204366362 1032807807 /nfs/dbraw/zinc/80/78/07/1032807807.db2.gz ROHINPOCIHIYQH-UHFFFAOYSA-N 2 1 383.536 3.635 20 0 GHADMP Cc1ccc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000568260769 1019387040 /nfs/dbraw/zinc/38/70/40/1019387040.db2.gz BAUQQPBJXHNQRU-KRWDZBQOSA-N 2 1 394.519 3.691 20 0 GHADMP O=C(C[N@H+]1CC[C@H](c2cccc(F)c2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000570185207 1019564935 /nfs/dbraw/zinc/56/49/35/1019564935.db2.gz RUTONAOAEYGLGD-QFIPXVFZSA-N 2 1 395.522 3.527 20 0 GHADMP O=C(C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000570185207 1019564945 /nfs/dbraw/zinc/56/49/45/1019564945.db2.gz RUTONAOAEYGLGD-QFIPXVFZSA-N 2 1 395.522 3.527 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3cc(Br)ccc3o2)CCCO1 ZINC000576768693 1020061530 /nfs/dbraw/zinc/06/15/30/1020061530.db2.gz YLSKITQMCQSHCE-CQSZACIVSA-N 2 1 381.314 3.786 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3cc(Br)ccc3o2)CCCO1 ZINC000576768693 1020061550 /nfs/dbraw/zinc/06/15/50/1020061550.db2.gz YLSKITQMCQSHCE-CQSZACIVSA-N 2 1 381.314 3.786 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000600970234 1020288299 /nfs/dbraw/zinc/28/82/99/1020288299.db2.gz QXAHHVAGGDAYCN-LJQANCHMSA-N 2 1 397.485 3.613 20 0 GHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000600970234 1020288307 /nfs/dbraw/zinc/28/83/07/1020288307.db2.gz QXAHHVAGGDAYCN-LJQANCHMSA-N 2 1 397.485 3.613 20 0 GHADMP C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000600970234 1020288324 /nfs/dbraw/zinc/28/83/24/1020288324.db2.gz QXAHHVAGGDAYCN-LJQANCHMSA-N 2 1 397.485 3.613 20 0 GHADMP CC(C)N(CCC[NH3+])c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001156124650 1032889761 /nfs/dbraw/zinc/88/97/61/1032889761.db2.gz YYEROIUPNWDJCJ-UHFFFAOYSA-N 2 1 387.597 3.730 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc(CC3=[NH+][C@@H]4CCCC[C@H]4N3)no2)cc1)C1CC1 ZINC000579063584 1020385966 /nfs/dbraw/zinc/38/59/66/1020385966.db2.gz MCFISZNTXCIIID-RTBURBONSA-N 2 1 379.508 3.576 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000579593568 1020425563 /nfs/dbraw/zinc/42/55/63/1020425563.db2.gz UIRDHPZDOYVPNM-QGZVFWFLSA-N 2 1 386.458 3.552 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccccc3C[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000629762188 1020766441 /nfs/dbraw/zinc/76/64/41/1020766441.db2.gz SFLCTKIHYNNJBN-XMMPIXPASA-N 2 1 391.559 3.702 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(C)C ZINC000779440936 1020791417 /nfs/dbraw/zinc/79/14/17/1020791417.db2.gz RXRQHDUDKDAHKP-MYGLTJDJSA-N 2 1 387.568 3.932 20 0 GHADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NO[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000779651870 1020910467 /nfs/dbraw/zinc/91/04/67/1020910467.db2.gz MAXOIFDXLVYPLF-SUMWQHHRSA-N 2 1 392.887 3.664 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NO[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000779651870 1020910473 /nfs/dbraw/zinc/91/04/73/1020910473.db2.gz MAXOIFDXLVYPLF-SUMWQHHRSA-N 2 1 392.887 3.664 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000637033016 1021011104 /nfs/dbraw/zinc/01/11/04/1021011104.db2.gz HHKNSYXQRCWCJJ-VQTJNVASSA-N 2 1 390.616 3.689 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@@H]2c2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000637921093 1021032482 /nfs/dbraw/zinc/03/24/82/1021032482.db2.gz ATSQNIJWOLYEPC-JOCHJYFZSA-N 2 1 395.522 3.873 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCc3nnc4n3CCCCC4)CC[N@@H+]2C2CC2)cc1 ZINC000638511374 1021044844 /nfs/dbraw/zinc/04/48/44/1021044844.db2.gz OPMBLUMDGVLQHF-IRLDBZIGSA-N 2 1 393.579 3.895 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCc3nnc4n3CCCCC4)CC[N@H+]2C2CC2)cc1 ZINC000638511374 1021044852 /nfs/dbraw/zinc/04/48/52/1021044852.db2.gz OPMBLUMDGVLQHF-IRLDBZIGSA-N 2 1 393.579 3.895 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cc(C)c(C)o1)CC2 ZINC001204533311 1032955075 /nfs/dbraw/zinc/95/50/75/1032955075.db2.gz KJKZRICVCAQNKC-GOSISDBHSA-N 2 1 389.565 3.856 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cc(C)c(C)o1)CC2 ZINC001204533311 1032955078 /nfs/dbraw/zinc/95/50/78/1032955078.db2.gz KJKZRICVCAQNKC-GOSISDBHSA-N 2 1 389.565 3.856 20 0 GHADMP CC[C@H]1C[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC[C@H]1[NH3+] ZINC000647498311 1021148039 /nfs/dbraw/zinc/14/80/39/1021148039.db2.gz FALYYIGUFZUUGE-KBXCAEBGSA-N 2 1 377.330 3.502 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC[C@H]1[NH3+] ZINC000647498311 1021148041 /nfs/dbraw/zinc/14/80/41/1021148041.db2.gz FALYYIGUFZUUGE-KBXCAEBGSA-N 2 1 377.330 3.502 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc(I)s2)CC1 ZINC001204543383 1032962949 /nfs/dbraw/zinc/96/29/49/1032962949.db2.gz QCMLLGLHEAADBN-UHFFFAOYSA-N 2 1 392.350 3.907 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000834586137 1021282641 /nfs/dbraw/zinc/28/26/41/1021282641.db2.gz ZBEHTNKRKWRKAN-OJJQZRKESA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000834586137 1021282651 /nfs/dbraw/zinc/28/26/51/1021282651.db2.gz ZBEHTNKRKWRKAN-OJJQZRKESA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCN(C[C@@H]4CCCO4)CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000834586137 1021282661 /nfs/dbraw/zinc/28/26/61/1021282661.db2.gz ZBEHTNKRKWRKAN-OJJQZRKESA-N 3 1 397.607 3.663 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593722 1032988215 /nfs/dbraw/zinc/98/82/15/1032988215.db2.gz UBZHFEXELNSJBJ-KNQAVFIVSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593722 1032988218 /nfs/dbraw/zinc/98/82/18/1032988218.db2.gz UBZHFEXELNSJBJ-KNQAVFIVSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593722 1032988220 /nfs/dbraw/zinc/98/82/20/1032988220.db2.gz UBZHFEXELNSJBJ-KNQAVFIVSA-N 2 1 379.589 3.687 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c1 ZINC001204652331 1033015460 /nfs/dbraw/zinc/01/54/60/1033015460.db2.gz LGZFDXSJUKYAGM-OAQYLSRUSA-N 2 1 382.504 3.943 20 0 GHADMP c1cn(-c2ccc(C[NH+]3CCC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369716 1021983011 /nfs/dbraw/zinc/98/30/11/1021983011.db2.gz UMXLVNMTGNYTRF-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369716 1021983014 /nfs/dbraw/zinc/98/30/14/1021983014.db2.gz UMXLVNMTGNYTRF-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1cn(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)nn1 ZINC001137369716 1021983017 /nfs/dbraw/zinc/98/30/17/1021983017.db2.gz UMXLVNMTGNYTRF-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835300484 1022015216 /nfs/dbraw/zinc/01/52/16/1022015216.db2.gz RHQDATWQYUSHNJ-VGSWGCGISA-N 2 1 394.450 3.599 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@](F)(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000835300484 1022015230 /nfs/dbraw/zinc/01/52/30/1022015230.db2.gz RHQDATWQYUSHNJ-VGSWGCGISA-N 2 1 394.450 3.599 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001140591589 1022025657 /nfs/dbraw/zinc/02/56/57/1022025657.db2.gz CZKPTNUWGPUFCG-DNVJHFABSA-N 2 1 390.543 3.614 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(OC)c1O ZINC000679721190 1022042359 /nfs/dbraw/zinc/04/23/59/1022042359.db2.gz JMUGQTSVGMCUSL-PCCBWWKXSA-N 2 1 396.531 3.800 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204742178 1033058529 /nfs/dbraw/zinc/05/85/29/1033058529.db2.gz JMAFMRAFAQVHNG-UHFFFAOYSA-N 2 1 384.305 3.565 20 0 GHADMP c1ccc(COc2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc3c2OCO3)cc1 ZINC001204748503 1033062742 /nfs/dbraw/zinc/06/27/42/1033062742.db2.gz MSMBBPRQOZYEAZ-UHFFFAOYSA-N 2 1 394.515 3.960 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001140971265 1023041604 /nfs/dbraw/zinc/04/16/04/1023041604.db2.gz NPAMFQPJRQVASC-HSZRJFAPSA-N 2 1 399.966 3.839 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001140971265 1023041622 /nfs/dbraw/zinc/04/16/22/1023041622.db2.gz NPAMFQPJRQVASC-HSZRJFAPSA-N 2 1 399.966 3.839 20 0 GHADMP C[C@@H]1CN(Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001204895682 1033151080 /nfs/dbraw/zinc/15/10/80/1033151080.db2.gz AVCDDVNAOLTGFB-UXHICEINSA-N 2 1 388.559 3.839 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H](C)CN1Cc1ccccc1 ZINC001204895682 1033151093 /nfs/dbraw/zinc/15/10/93/1033151093.db2.gz AVCDDVNAOLTGFB-UXHICEINSA-N 2 1 388.559 3.839 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@@H](C)CN1Cc1ccccc1 ZINC001204895682 1033151107 /nfs/dbraw/zinc/15/11/07/1033151107.db2.gz AVCDDVNAOLTGFB-UXHICEINSA-N 2 1 388.559 3.839 20 0 GHADMP C[NH2+][C@H]1CCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001156657783 1033160505 /nfs/dbraw/zinc/16/05/05/1033160505.db2.gz DKMQAASFNFYFEO-LJQANCHMSA-N 2 1 398.938 3.512 20 0 GHADMP CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C3(CCCCC3)C2)(c2ccccc2)CC1 ZINC001141152796 1023978933 /nfs/dbraw/zinc/97/89/33/1023978933.db2.gz DVBOEJNFZOLACV-UHFFFAOYSA-N 2 1 383.580 3.517 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(F)c1 ZINC001141191817 1024062793 /nfs/dbraw/zinc/06/27/93/1024062793.db2.gz BVEJBILMAVLEKF-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)cc1 ZINC000831077413 1024343285 /nfs/dbraw/zinc/34/32/85/1024343285.db2.gz LIYSREZXCCENKI-LIRRHRJNSA-N 2 1 397.910 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)cc1 ZINC000831077410 1024343838 /nfs/dbraw/zinc/34/38/38/1024343838.db2.gz LIYSREZXCCENKI-AUUYWEPGSA-N 2 1 397.910 3.805 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)CC2)cc1 ZINC001141295276 1024431800 /nfs/dbraw/zinc/43/18/00/1024431800.db2.gz XBNSDOJRAZPJGX-HSZRJFAPSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC001141295276 1024431804 /nfs/dbraw/zinc/43/18/04/1024431804.db2.gz XBNSDOJRAZPJGX-HSZRJFAPSA-N 2 1 383.580 3.826 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)cc1 ZINC001141295276 1024431811 /nfs/dbraw/zinc/43/18/11/1024431811.db2.gz XBNSDOJRAZPJGX-HSZRJFAPSA-N 2 1 383.580 3.826 20 0 GHADMP COc1ccsc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001141322937 1024549173 /nfs/dbraw/zinc/54/91/73/1024549173.db2.gz HIUYIXPTPOCTOQ-INIZCTEOSA-N 2 1 376.522 3.605 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4CC)CC2)C1 ZINC001138361697 1024727146 /nfs/dbraw/zinc/72/71/46/1024727146.db2.gz XAIQQJXYEPKERY-IBGZPJMESA-N 2 1 397.563 3.970 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4CC)CC2)C1 ZINC001138361697 1024727155 /nfs/dbraw/zinc/72/71/55/1024727155.db2.gz XAIQQJXYEPKERY-IBGZPJMESA-N 2 1 397.563 3.970 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001138411893 1024797596 /nfs/dbraw/zinc/79/75/96/1024797596.db2.gz MELOHQZKQYZJLN-JPYJTQIMSA-N 2 1 385.527 3.796 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001138411893 1024797607 /nfs/dbraw/zinc/79/76/07/1024797607.db2.gz MELOHQZKQYZJLN-JPYJTQIMSA-N 2 1 385.527 3.796 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001138411893 1024797619 /nfs/dbraw/zinc/79/76/19/1024797619.db2.gz MELOHQZKQYZJLN-JPYJTQIMSA-N 2 1 385.527 3.796 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1[nH]c3ccc(F)cc3c1C)C2 ZINC001138411893 1024797630 /nfs/dbraw/zinc/79/76/30/1024797630.db2.gz MELOHQZKQYZJLN-JPYJTQIMSA-N 2 1 385.527 3.796 20 0 GHADMP Cc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1C ZINC001205074155 1033236915 /nfs/dbraw/zinc/23/69/15/1033236915.db2.gz FSDUEOKLJBPWBB-QHCPKHFHSA-N 2 1 379.548 3.954 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1OC ZINC001138437494 1024847877 /nfs/dbraw/zinc/84/78/77/1024847877.db2.gz NKULTFZLQLZEKJ-VXKWHMMOSA-N 2 1 380.532 3.884 20 0 GHADMP COc1ccc(C)cc1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001138485643 1024915945 /nfs/dbraw/zinc/91/59/45/1024915945.db2.gz APBGJHFZVRGFAL-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001138485643 1024915946 /nfs/dbraw/zinc/91/59/46/1024915946.db2.gz APBGJHFZVRGFAL-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001138485643 1024915949 /nfs/dbraw/zinc/91/59/49/1024915949.db2.gz APBGJHFZVRGFAL-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001138485643 1024915950 /nfs/dbraw/zinc/91/59/50/1024915950.db2.gz APBGJHFZVRGFAL-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001138485643 1024915952 /nfs/dbraw/zinc/91/59/52/1024915952.db2.gz APBGJHFZVRGFAL-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001138486109 1024916753 /nfs/dbraw/zinc/91/67/53/1024916753.db2.gz HLEGGFGKDIPTOD-HXUWFJFHSA-N 2 1 384.520 3.852 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(N3C(=O)Cc4ccccc43)CC2)cc1 ZINC001138547741 1024994661 /nfs/dbraw/zinc/99/46/61/1024994661.db2.gz SRSSOPDEKBLPDH-UHFFFAOYSA-N 2 1 386.499 3.734 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(c3nc4ccc(C)cn4n3)CC2)cc1 ZINC001138548328 1024994927 /nfs/dbraw/zinc/99/49/27/1024994927.db2.gz ARYCLCUEVIEULL-UHFFFAOYSA-N 2 1 386.503 3.911 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)cc1 ZINC001138549910 1024997753 /nfs/dbraw/zinc/99/77/53/1024997753.db2.gz WMMPOQAPBBTCFM-ISKFKSNPSA-N 2 1 395.547 3.836 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCCC3)C2)cc1 ZINC001138549910 1024997755 /nfs/dbraw/zinc/99/77/55/1024997755.db2.gz WMMPOQAPBBTCFM-ISKFKSNPSA-N 2 1 395.547 3.836 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138579174 1025059338 /nfs/dbraw/zinc/05/93/38/1025059338.db2.gz LQNXQUYOLWOLEO-UHFFFAOYSA-N 2 1 381.568 3.979 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606084 1025094175 /nfs/dbraw/zinc/09/41/75/1025094175.db2.gz HMLNWSWLMGXIHX-DEOSSOPVSA-N 2 1 385.596 4.000 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606084 1025094186 /nfs/dbraw/zinc/09/41/86/1025094186.db2.gz HMLNWSWLMGXIHX-DEOSSOPVSA-N 2 1 385.596 4.000 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606084 1025094199 /nfs/dbraw/zinc/09/41/99/1025094199.db2.gz HMLNWSWLMGXIHX-DEOSSOPVSA-N 2 1 385.596 4.000 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606084 1025094212 /nfs/dbraw/zinc/09/42/12/1025094212.db2.gz HMLNWSWLMGXIHX-DEOSSOPVSA-N 2 1 385.596 4.000 20 0 GHADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000831993395 1025098413 /nfs/dbraw/zinc/09/84/13/1025098413.db2.gz RXZLKMDTUDUWMG-SFHVURJKSA-N 2 1 376.545 3.549 20 0 GHADMP FC(F)(F)c1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001141460198 1025118671 /nfs/dbraw/zinc/11/86/71/1025118671.db2.gz MEVIRHCFGCDLGS-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CCC(O)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138761840 1025317966 /nfs/dbraw/zinc/31/79/66/1025317966.db2.gz AJBGXUYVQXRZLJ-JOCHJYFZSA-N 2 1 393.575 3.602 20 0 GHADMP C[N@H+](Cc1ccccc1N1CCC(O)CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001138761840 1025317981 /nfs/dbraw/zinc/31/79/81/1025317981.db2.gz AJBGXUYVQXRZLJ-JOCHJYFZSA-N 2 1 393.575 3.602 20 0 GHADMP C[NH+](Cc1ccccc1N1CCC(O)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001138761840 1025317993 /nfs/dbraw/zinc/31/79/93/1025317993.db2.gz AJBGXUYVQXRZLJ-JOCHJYFZSA-N 2 1 393.575 3.602 20 0 GHADMP C[NH+](Cc1ccccc1N1CCC(O)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138761840 1025318014 /nfs/dbraw/zinc/31/80/14/1025318014.db2.gz AJBGXUYVQXRZLJ-JOCHJYFZSA-N 2 1 393.575 3.602 20 0 GHADMP C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772298 1025341369 /nfs/dbraw/zinc/34/13/69/1025341369.db2.gz YBNCWJNZFYCOJQ-YLJYHZDGSA-N 2 1 391.556 3.505 20 0 GHADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138771844 1025341638 /nfs/dbraw/zinc/34/16/38/1025341638.db2.gz GYHSITIGAZQSEW-IBGZPJMESA-N 2 1 384.520 3.581 20 0 GHADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n([C@H]2CCCCO2)n1 ZINC001138785023 1025358735 /nfs/dbraw/zinc/35/87/35/1025358735.db2.gz MTFUZRLAOCUEKG-CQOQZXRMSA-N 2 1 394.563 3.926 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n([C@H]2CCCCO2)n1 ZINC001138785023 1025358751 /nfs/dbraw/zinc/35/87/51/1025358751.db2.gz MTFUZRLAOCUEKG-CQOQZXRMSA-N 2 1 394.563 3.926 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n([C@H]2CCCCO2)n1 ZINC001138785023 1025358765 /nfs/dbraw/zinc/35/87/65/1025358765.db2.gz MTFUZRLAOCUEKG-CQOQZXRMSA-N 2 1 394.563 3.926 20 0 GHADMP O=C(OCc1ccccc1)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000839037821 1025537016 /nfs/dbraw/zinc/53/70/16/1025537016.db2.gz DMFUWJXGVGJPEY-QHCPKHFHSA-N 2 1 378.516 3.730 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCCC3(CCCC3)C2)c1C ZINC001141567485 1025580179 /nfs/dbraw/zinc/58/01/79/1025580179.db2.gz DLZHNVUOUGBESJ-UHFFFAOYSA-N 2 1 388.600 3.859 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001138968218 1025679986 /nfs/dbraw/zinc/67/99/86/1025679986.db2.gz NERVAVYKMGMKPI-UPVQGACJSA-N 2 1 386.580 3.902 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001138968218 1025679997 /nfs/dbraw/zinc/67/99/97/1025679997.db2.gz NERVAVYKMGMKPI-UPVQGACJSA-N 2 1 386.580 3.902 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001138968218 1025680002 /nfs/dbraw/zinc/68/00/02/1025680002.db2.gz NERVAVYKMGMKPI-UPVQGACJSA-N 2 1 386.580 3.902 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OCC(C)C)cc1)C2 ZINC001138968218 1025680014 /nfs/dbraw/zinc/68/00/14/1025680014.db2.gz NERVAVYKMGMKPI-UPVQGACJSA-N 2 1 386.580 3.902 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1ccc3c(c1)[nH+]cn3[C@@H]1CCC[NH2+]CC1)C(=O)N2 ZINC001162565541 1025798573 /nfs/dbraw/zinc/79/85/73/1025798573.db2.gz IFVGIIPASVATIG-IIBYNOLFSA-N 2 1 375.476 3.765 20 0 GHADMP COc1cc(O)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001139140804 1025955163 /nfs/dbraw/zinc/95/51/63/1025955163.db2.gz SWAPRSIELKVUPT-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP Cc1ccc(N(C)C)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162940529 1025977546 /nfs/dbraw/zinc/97/75/46/1025977546.db2.gz GTCRAUKTYSHFGG-QFIPXVFZSA-N 2 1 392.591 3.975 20 0 GHADMP Cc1ncc(Cl)cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940816 1025977920 /nfs/dbraw/zinc/97/79/20/1025977920.db2.gz NBQZPOGMGFKHOD-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP C[N@H+](Cc1ccc(N2CCC(O)CC2)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001139296407 1026148041 /nfs/dbraw/zinc/14/80/41/1026148041.db2.gz JPZSTLUEVKWOIT-FQEVSTJZSA-N 2 1 399.604 3.663 20 0 GHADMP C[NH+](Cc1ccc(N2CCC(O)CC2)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139296407 1026148047 /nfs/dbraw/zinc/14/80/47/1026148047.db2.gz JPZSTLUEVKWOIT-FQEVSTJZSA-N 2 1 399.604 3.663 20 0 GHADMP C[NH+](Cc1ccc(N2CCC(O)CC2)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139296407 1026148049 /nfs/dbraw/zinc/14/80/49/1026148049.db2.gz JPZSTLUEVKWOIT-FQEVSTJZSA-N 2 1 399.604 3.663 20 0 GHADMP CC[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139360707 1026234091 /nfs/dbraw/zinc/23/40/91/1026234091.db2.gz DUNFQOBWEZTLGL-LJQANCHMSA-N 2 1 384.524 3.951 20 0 GHADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CCC(COCC[NH+]4CCCC4)CC3)c12 ZINC001163881660 1026349268 /nfs/dbraw/zinc/34/92/68/1026349268.db2.gz QSIBYHSDNFHVOQ-UHFFFAOYSA-N 2 1 397.567 3.875 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)nc1 ZINC001139494007 1026353085 /nfs/dbraw/zinc/35/30/85/1026353085.db2.gz QVGRCLHLUYOBKG-WMQCIHAUSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)nc1 ZINC001139494007 1026353091 /nfs/dbraw/zinc/35/30/91/1026353091.db2.gz QVGRCLHLUYOBKG-WMQCIHAUSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)nc1 ZINC001139494007 1026353106 /nfs/dbraw/zinc/35/31/06/1026353106.db2.gz QVGRCLHLUYOBKG-WMQCIHAUSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)nc1 ZINC001139494007 1026353118 /nfs/dbraw/zinc/35/31/18/1026353118.db2.gz QVGRCLHLUYOBKG-WMQCIHAUSA-N 2 1 399.560 3.662 20 0 GHADMP CCO[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139516092 1026373327 /nfs/dbraw/zinc/37/33/27/1026373327.db2.gz VGJNKHTVRRDQAU-HSZRJFAPSA-N 2 1 379.548 3.620 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H](C)CC[C@@H]3C[NH3+])c2c1C ZINC001164073094 1026402209 /nfs/dbraw/zinc/40/22/09/1026402209.db2.gz HNHYHJFBVREHSN-RHSMWYFYSA-N 2 1 387.597 3.858 20 0 GHADMP C[C@@H]1CC[C@H](C[NH3+])N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164074543 1026402311 /nfs/dbraw/zinc/40/23/11/1026402311.db2.gz UHHAODFCGGJNDU-HZPDHXFCSA-N 2 1 399.608 3.730 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1CC ZINC001139619401 1026485442 /nfs/dbraw/zinc/48/54/42/1026485442.db2.gz DBSHMZPUIYSRRR-ISKFKSNPSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1CC ZINC001139619401 1026485450 /nfs/dbraw/zinc/48/54/50/1026485450.db2.gz DBSHMZPUIYSRRR-ISKFKSNPSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1CC ZINC001139619401 1026485458 /nfs/dbraw/zinc/48/54/58/1026485458.db2.gz DBSHMZPUIYSRRR-ISKFKSNPSA-N 2 1 386.580 3.828 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1CC ZINC001139619401 1026485466 /nfs/dbraw/zinc/48/54/66/1026485466.db2.gz DBSHMZPUIYSRRR-ISKFKSNPSA-N 2 1 386.580 3.828 20 0 GHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656069 1026517682 /nfs/dbraw/zinc/51/76/82/1026517682.db2.gz NAEWUEBKYFCVDM-OAQYLSRUSA-N 2 1 391.581 3.569 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656069 1026517684 /nfs/dbraw/zinc/51/76/84/1026517684.db2.gz NAEWUEBKYFCVDM-OAQYLSRUSA-N 2 1 391.581 3.569 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656069 1026517687 /nfs/dbraw/zinc/51/76/87/1026517687.db2.gz NAEWUEBKYFCVDM-OAQYLSRUSA-N 2 1 391.581 3.569 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001139656069 1026517691 /nfs/dbraw/zinc/51/76/91/1026517691.db2.gz NAEWUEBKYFCVDM-OAQYLSRUSA-N 2 1 391.581 3.569 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164493650 1026531524 /nfs/dbraw/zinc/53/15/24/1026531524.db2.gz VOHVOYPGKHOQNT-FDFHNCONSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164493650 1026531532 /nfs/dbraw/zinc/53/15/32/1026531532.db2.gz VOHVOYPGKHOQNT-FDFHNCONSA-N 2 1 392.547 3.549 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4cccnc4c3)C[C@H]21 ZINC001139741539 1026583185 /nfs/dbraw/zinc/58/31/85/1026583185.db2.gz LWTZJMFQORVLAR-XZDHIHRUSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4cccnc4c3)C[C@H]21 ZINC001139741539 1026583190 /nfs/dbraw/zinc/58/31/90/1026583190.db2.gz LWTZJMFQORVLAR-XZDHIHRUSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4cccnc4c3)C[C@H]21 ZINC001139741539 1026583200 /nfs/dbraw/zinc/58/32/00/1026583200.db2.gz LWTZJMFQORVLAR-XZDHIHRUSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4cccnc4c3)C[C@H]21 ZINC001139741539 1026583204 /nfs/dbraw/zinc/58/32/04/1026583204.db2.gz LWTZJMFQORVLAR-XZDHIHRUSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc(F)c1)CC2 ZINC001139832080 1026653394 /nfs/dbraw/zinc/65/33/94/1026653394.db2.gz OFYVNYSYEVGFFS-QGZVFWFLSA-N 2 1 375.513 3.538 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C(C)C)[C@H](C)C3)c2c1C ZINC001165199653 1026660943 /nfs/dbraw/zinc/66/09/43/1026660943.db2.gz GUJPJHLVCDAXPP-OAHLLOKOSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C(C)C)[C@H](C)C3)c2c1C ZINC001165199653 1026660948 /nfs/dbraw/zinc/66/09/48/1026660948.db2.gz GUJPJHLVCDAXPP-OAHLLOKOSA-N 2 1 387.597 3.823 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)c5ccccc45)C[C@H]3C2)cn1 ZINC001139890791 1026707431 /nfs/dbraw/zinc/70/74/31/1026707431.db2.gz XKZQUXNHPYBCKM-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(F)c5ccccc45)C[C@H]3C2)cn1 ZINC001139890791 1026707442 /nfs/dbraw/zinc/70/74/42/1026707442.db2.gz XKZQUXNHPYBCKM-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(F)c5ccccc45)C[C@H]3C2)cn1 ZINC001139890791 1026707450 /nfs/dbraw/zinc/70/74/50/1026707450.db2.gz XKZQUXNHPYBCKM-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(F)c5ccccc45)C[C@H]3C2)cn1 ZINC001139890791 1026707458 /nfs/dbraw/zinc/70/74/58/1026707458.db2.gz XKZQUXNHPYBCKM-UYAOXDASSA-N 2 1 378.495 3.666 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC001165368477 1026713959 /nfs/dbraw/zinc/71/39/59/1026713959.db2.gz UVBJQWPTFYTXGE-JOCHJYFZSA-N 2 1 380.536 3.683 20 0 GHADMP C[N@H+]1CCCC[C@@H]1c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC001165368477 1026713966 /nfs/dbraw/zinc/71/39/66/1026713966.db2.gz UVBJQWPTFYTXGE-JOCHJYFZSA-N 2 1 380.536 3.683 20 0 GHADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(OC)n1 ZINC001139918899 1026730950 /nfs/dbraw/zinc/73/09/50/1026730950.db2.gz WKXGQBBWXUXLOQ-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP COc1ccc2n[nH]c(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071467 1026852306 /nfs/dbraw/zinc/85/23/06/1026852306.db2.gz LYIDICYTNQAQJR-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071467 1026852311 /nfs/dbraw/zinc/85/23/11/1026852311.db2.gz LYIDICYTNQAQJR-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2n[nH]c(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071467 1026852317 /nfs/dbraw/zinc/85/23/17/1026852317.db2.gz LYIDICYTNQAQJR-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071467 1026852338 /nfs/dbraw/zinc/85/23/38/1026852338.db2.gz LYIDICYTNQAQJR-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071467 1026852343 /nfs/dbraw/zinc/85/23/43/1026852343.db2.gz LYIDICYTNQAQJR-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071467 1026852348 /nfs/dbraw/zinc/85/23/48/1026852348.db2.gz LYIDICYTNQAQJR-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2[nH]nc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2c1 ZINC001140071467 1026852355 /nfs/dbraw/zinc/85/23/55/1026852355.db2.gz LYIDICYTNQAQJR-VQTJNVASSA-N 2 1 390.531 3.916 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1C ZINC001140159229 1026932868 /nfs/dbraw/zinc/93/28/68/1026932868.db2.gz WOUHWRZJICZNGW-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP Clc1ccccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001203381965 1026965570 /nfs/dbraw/zinc/96/55/70/1026965570.db2.gz NHWOFMPSRGVHEF-UHFFFAOYSA-N 2 1 385.939 3.850 20 0 GHADMP Nc1cc[nH+]cc1C[NH+]1CCC2(CC1)c1ccccc1N(Cc1ccccc1)C2=O ZINC001209727389 1027122725 /nfs/dbraw/zinc/12/27/25/1027122725.db2.gz WUWWMYMTZXCFEB-UHFFFAOYSA-N 2 1 398.510 3.575 20 0 GHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC001461195530 1069436009 /nfs/dbraw/zinc/43/60/09/1069436009.db2.gz MIQOLGSDRSUPLK-PDDLGQBUSA-N 2 1 379.589 3.876 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC001461195530 1069436015 /nfs/dbraw/zinc/43/60/15/1069436015.db2.gz MIQOLGSDRSUPLK-PDDLGQBUSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccccc2)CC1 ZINC001166997465 1027187890 /nfs/dbraw/zinc/18/78/90/1027187890.db2.gz SNGLBRZNTAWWCX-RDPSFJRHSA-N 2 1 391.559 3.645 20 0 GHADMP [NH3+]CCN1CC[NH+](Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC001210029858 1027322041 /nfs/dbraw/zinc/32/20/41/1027322041.db2.gz YLFAMMBYXNETBD-UHFFFAOYSA-N 2 1 379.426 3.574 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1C(F)(F)F ZINC001461233581 1069455475 /nfs/dbraw/zinc/45/54/75/1069455475.db2.gz NKDVZYFSMXQNAG-PZJWPPBQSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccc1C(F)(F)F ZINC001461233581 1069455478 /nfs/dbraw/zinc/45/54/78/1069455478.db2.gz NKDVZYFSMXQNAG-PZJWPPBQSA-N 2 1 392.465 3.986 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001461254586 1069463981 /nfs/dbraw/zinc/46/39/81/1069463981.db2.gz HQWIOEDHHTUJHK-ZWKOTPCHSA-N 2 1 391.357 3.906 20 0 GHADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1NC1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001210712192 1027618608 /nfs/dbraw/zinc/61/86/08/1027618608.db2.gz DHQOYILNYARNOO-LJQANCHMSA-N 2 1 396.535 3.796 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC001203919855 1027708920 /nfs/dbraw/zinc/70/89/20/1027708920.db2.gz NNQKXWFFGIXXCN-NRFANRHFSA-N 2 1 385.939 3.991 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950501 1027744015 /nfs/dbraw/zinc/74/40/15/1027744015.db2.gz AKNBYAGYMNBHBL-OYDLWJJNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950501 1027744033 /nfs/dbraw/zinc/74/40/33/1027744033.db2.gz AKNBYAGYMNBHBL-OYDLWJJNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950501 1027744052 /nfs/dbraw/zinc/74/40/52/1027744052.db2.gz AKNBYAGYMNBHBL-OYDLWJJNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950501 1027744067 /nfs/dbraw/zinc/74/40/67/1027744067.db2.gz AKNBYAGYMNBHBL-OYDLWJJNSA-N 2 1 393.531 3.739 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2ccccn2)cs1 ZINC001204035999 1027825997 /nfs/dbraw/zinc/82/59/97/1027825997.db2.gz GFJCRTQUROGAJF-GMAHTHKFSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)cs1 ZINC001204035999 1027826022 /nfs/dbraw/zinc/82/60/22/1027826022.db2.gz GFJCRTQUROGAJF-GMAHTHKFSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)cs1 ZINC001204035999 1027826045 /nfs/dbraw/zinc/82/60/45/1027826045.db2.gz GFJCRTQUROGAJF-GMAHTHKFSA-N 2 1 397.588 3.894 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)cs1 ZINC001204035999 1027826066 /nfs/dbraw/zinc/82/60/66/1027826066.db2.gz GFJCRTQUROGAJF-GMAHTHKFSA-N 2 1 397.588 3.894 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1O ZINC001204124954 1027897382 /nfs/dbraw/zinc/89/73/82/1027897382.db2.gz GOTBWELNKWFZCA-UHFFFAOYSA-N 2 1 384.520 3.753 20 0 GHADMP CSc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204140775 1027910882 /nfs/dbraw/zinc/91/08/82/1027910882.db2.gz DLDLXJSUXYEAJJ-IFMALSPDSA-N 2 1 383.561 3.526 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204140775 1027910884 /nfs/dbraw/zinc/91/08/84/1027910884.db2.gz DLDLXJSUXYEAJJ-IFMALSPDSA-N 2 1 383.561 3.526 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001204140775 1027910886 /nfs/dbraw/zinc/91/08/86/1027910886.db2.gz DLDLXJSUXYEAJJ-IFMALSPDSA-N 2 1 383.561 3.526 20 0 GHADMP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC001142026748 1027913672 /nfs/dbraw/zinc/91/36/72/1027913672.db2.gz JEEDEIPRZHURHD-FQEVSTJZSA-N 2 1 389.559 3.618 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921556 1027958774 /nfs/dbraw/zinc/95/87/74/1027958774.db2.gz WHTHYMILGNECRN-UYAOXDASSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921556 1027958780 /nfs/dbraw/zinc/95/87/80/1027958780.db2.gz WHTHYMILGNECRN-UYAOXDASSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921556 1027958784 /nfs/dbraw/zinc/95/87/84/1027958784.db2.gz WHTHYMILGNECRN-UYAOXDASSA-N 2 1 386.536 3.849 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1OC(=O)CC ZINC000840921556 1027958794 /nfs/dbraw/zinc/95/87/94/1027958794.db2.gz WHTHYMILGNECRN-UYAOXDASSA-N 2 1 386.536 3.849 20 0 GHADMP CCO[C@H](CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)C[NH+](C)C ZINC001214367776 1028697244 /nfs/dbraw/zinc/69/72/44/1028697244.db2.gz HHGXPDVGVJHCLD-HXUWFJFHSA-N 2 1 390.572 3.539 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1Cl ZINC001461428965 1069545297 /nfs/dbraw/zinc/54/52/97/1069545297.db2.gz AWMVPDYBCCGOCG-IBGZPJMESA-N 2 1 390.959 3.501 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1Cl ZINC001461428965 1069545310 /nfs/dbraw/zinc/54/53/10/1069545310.db2.gz AWMVPDYBCCGOCG-IBGZPJMESA-N 2 1 390.959 3.501 20 0 GHADMP Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2ccc(C[NH2+]CC(C)C)cc2)[nH+]1 ZINC001215744552 1029377619 /nfs/dbraw/zinc/37/76/19/1029377619.db2.gz XPOQQSKUYNIYIL-IAGOWNOFSA-N 2 1 383.540 3.888 20 0 GHADMP COc1c(C)cnc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1C ZINC001142757126 1029383010 /nfs/dbraw/zinc/38/30/10/1029383010.db2.gz GMLNRHYZFIQWAH-FQEVSTJZSA-N 2 1 393.531 3.626 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccnn3-c3ccccn3)cc2)CC1 ZINC000842692776 1029502451 /nfs/dbraw/zinc/50/24/51/1029502451.db2.gz QFBJYNDGWQFZPE-UHFFFAOYSA-N 2 1 390.535 3.657 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842694950 1029504893 /nfs/dbraw/zinc/50/48/93/1029504893.db2.gz NHRIHMGWJPCVEP-HXUWFJFHSA-N 2 1 385.552 3.640 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842694950 1029504905 /nfs/dbraw/zinc/50/49/05/1029504905.db2.gz NHRIHMGWJPCVEP-HXUWFJFHSA-N 2 1 385.552 3.640 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842922694 1029686947 /nfs/dbraw/zinc/68/69/47/1029686947.db2.gz CBXHJFMDXSOZTN-AYWYSENESA-N 2 1 387.568 3.567 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090301 1029838709 /nfs/dbraw/zinc/83/87/09/1029838709.db2.gz PYQVGBOYAABZKK-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[NH2+]C[C@H](C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000843207219 1029852769 /nfs/dbraw/zinc/85/27/69/1029852769.db2.gz LKQXPSCGMOUYLU-KRWDZBQOSA-N 2 1 392.503 3.559 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843385656 1029953835 /nfs/dbraw/zinc/95/38/35/1029953835.db2.gz BIJSFWHRDXVDFK-QHAWAJNXSA-N 2 1 398.595 3.716 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)s1 ZINC001222148468 1029978750 /nfs/dbraw/zinc/97/87/50/1029978750.db2.gz POAYCSZZCSCXEN-LJQANCHMSA-N 2 1 377.941 3.951 20 0 GHADMP Clc1ncc(COc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)s1 ZINC001222148468 1029978753 /nfs/dbraw/zinc/97/87/53/1029978753.db2.gz POAYCSZZCSCXEN-LJQANCHMSA-N 2 1 377.941 3.951 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CCCc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC001222215746 1030011266 /nfs/dbraw/zinc/01/12/66/1030011266.db2.gz KSKFZFAHXMSFFS-GOSISDBHSA-N 2 1 398.469 3.645 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3ccc(C)o3)cc1)CC[NH2+]CC2 ZINC001222226315 1030020209 /nfs/dbraw/zinc/02/02/09/1030020209.db2.gz QNNIZYVSRBTDGW-FQEVSTJZSA-N 2 1 382.504 3.762 20 0 GHADMP Cc1ccc(I)c(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222320586 1030070192 /nfs/dbraw/zinc/07/01/92/1030070192.db2.gz KTGHXHAHRNRDAS-KRWDZBQOSA-N 2 1 384.305 3.708 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)c1 ZINC001222320586 1030070210 /nfs/dbraw/zinc/07/02/10/1030070210.db2.gz KTGHXHAHRNRDAS-KRWDZBQOSA-N 2 1 384.305 3.708 20 0 GHADMP COc1cc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1O ZINC001222575580 1030207892 /nfs/dbraw/zinc/20/78/92/1030207892.db2.gz NOTGLTRVYRTAMI-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP COc1cc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccc1O ZINC001222575580 1030207906 /nfs/dbraw/zinc/20/79/06/1030207906.db2.gz NOTGLTRVYRTAMI-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP c1[nH]nc2cccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)c12 ZINC001222582844 1030212051 /nfs/dbraw/zinc/21/20/51/1030212051.db2.gz IFQRWNWBCSYAJT-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2CCN3)cc1 ZINC001222591293 1030218240 /nfs/dbraw/zinc/21/82/40/1030218240.db2.gz UFVHLINCBPSUAK-QFIPXVFZSA-N 2 1 391.559 3.958 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602001 1030227066 /nfs/dbraw/zinc/22/70/66/1030227066.db2.gz FQSQTHVLPYUTQY-DEOSSOPVSA-N 2 1 386.543 3.737 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602001 1030227080 /nfs/dbraw/zinc/22/70/80/1030227080.db2.gz FQSQTHVLPYUTQY-DEOSSOPVSA-N 2 1 386.543 3.737 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)c2n1 ZINC001206633299 1030469897 /nfs/dbraw/zinc/46/98/97/1030469897.db2.gz VMYLBTXWTQQKLP-CYBMUJFWSA-N 2 1 378.314 3.567 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)c2n1 ZINC001206633299 1030469902 /nfs/dbraw/zinc/46/99/02/1030469902.db2.gz VMYLBTXWTQQKLP-CYBMUJFWSA-N 2 1 378.314 3.567 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)c1ccccc1Cl ZINC001223455695 1030581856 /nfs/dbraw/zinc/58/18/56/1030581856.db2.gz YRZJXTNDONOYLN-VAMGGRTRSA-N 2 1 392.975 3.601 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001223507490 1030610126 /nfs/dbraw/zinc/61/01/26/1030610126.db2.gz DRDJRKYHYNZJFW-PKOBYXMFSA-N 2 1 390.597 3.591 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1Cl ZINC001223558141 1030636314 /nfs/dbraw/zinc/63/63/14/1030636314.db2.gz WEVZSYFTMBDCOB-IBGZPJMESA-N 2 1 380.964 3.508 20 0 GHADMP [NH3+][C@H](Cc1ccnc2ccccc12)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217753338 1030642745 /nfs/dbraw/zinc/64/27/45/1030642745.db2.gz YUASPDREFYKBIH-TZIWHRDSSA-N 2 1 399.498 3.850 20 0 GHADMP [NH3+][C@H](Cc1ccnc2ccccc12)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217753338 1030642746 /nfs/dbraw/zinc/64/27/46/1030642746.db2.gz YUASPDREFYKBIH-TZIWHRDSSA-N 2 1 399.498 3.850 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NCc1ccn2ccnc2c1 ZINC001223748892 1030736808 /nfs/dbraw/zinc/73/68/08/1030736808.db2.gz QFPAWFIHDWUZFE-NRFANRHFSA-N 2 1 391.519 3.530 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001223818671 1030768151 /nfs/dbraw/zinc/76/81/51/1030768151.db2.gz JRVGKJGFPYROND-UHFFFAOYSA-N 2 1 397.567 3.716 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001223818671 1030768167 /nfs/dbraw/zinc/76/81/67/1030768167.db2.gz JRVGKJGFPYROND-UHFFFAOYSA-N 2 1 397.567 3.716 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001223831614 1030773695 /nfs/dbraw/zinc/77/36/95/1030773695.db2.gz NKVSKITWNMNZBV-KSEOMHKRSA-N 2 1 388.600 3.734 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001223831609 1030773875 /nfs/dbraw/zinc/77/38/75/1030773875.db2.gz NKVSKITWNMNZBV-CEMLEFRQSA-N 2 1 388.600 3.734 20 0 GHADMP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1sc(Cl)c2ccccc21 ZINC001276937685 1030848656 /nfs/dbraw/zinc/84/86/56/1030848656.db2.gz FOJNWVVDTQUWCC-IAGOWNOFSA-N 2 1 391.968 3.682 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001218337298 1030900812 /nfs/dbraw/zinc/90/08/12/1030900812.db2.gz WRPMTYYRXTXSRI-BULFRSBZSA-N 2 1 382.504 3.539 20 0 GHADMP [NH3+]C1CCN(Cc2ccccc2O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC001218390251 1030916621 /nfs/dbraw/zinc/91/66/21/1030916621.db2.gz GYAHMOFVQPUSGJ-QFIPXVFZSA-N 2 1 397.538 3.792 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001218411105 1030927107 /nfs/dbraw/zinc/92/71/07/1030927107.db2.gz ZBCMBPNXVDKRTN-QUCCMNQESA-N 2 1 388.895 3.556 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001224564016 1031047701 /nfs/dbraw/zinc/04/77/01/1031047701.db2.gz QDZCIRRJQKIBNW-VXKWHMMOSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218847664 1031112601 /nfs/dbraw/zinc/11/26/01/1031112601.db2.gz NNOYMTVQVLTMTE-QHCPKHFHSA-N 3 1 394.563 3.637 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218847664 1031112608 /nfs/dbraw/zinc/11/26/08/1031112608.db2.gz NNOYMTVQVLTMTE-QHCPKHFHSA-N 3 1 394.563 3.637 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219027805 1031219986 /nfs/dbraw/zinc/21/99/86/1031219986.db2.gz CFBNFRWNKZFHEP-QGZVFWFLSA-N 2 1 399.922 3.673 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@]3(C)CC(C)(C)C[NH2+]3)cccc2[C@@H](c2ccccc2)C1 ZINC001219047104 1031230168 /nfs/dbraw/zinc/23/01/68/1031230168.db2.gz QBGUVPQEVUWILA-DVECYGJZSA-N 2 1 377.532 3.981 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1C ZINC001225132046 1031272421 /nfs/dbraw/zinc/27/24/21/1031272421.db2.gz ZOTRKWOOEOSKOZ-WOJBJXKFSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001220472887 1031954788 /nfs/dbraw/zinc/95/47/88/1031954788.db2.gz MELSNIVVYQKMAL-PGRDOPGGSA-N 2 1 399.583 3.628 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001220552646 1031987312 /nfs/dbraw/zinc/98/73/12/1031987312.db2.gz SRPIOJBHVXTLOJ-RBUKOAKNSA-N 2 1 392.975 3.649 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001205457054 1033421055 /nfs/dbraw/zinc/42/10/55/1033421055.db2.gz OYFVAJFDAJHTSK-REWPJTCUSA-N 2 1 387.568 3.745 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)[C@@H](c2ccccc2)C1 ZINC001157495678 1033618775 /nfs/dbraw/zinc/61/87/75/1033618775.db2.gz KMKWYDSNVIWPIB-ISKFKSNPSA-N 2 1 387.527 3.615 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)[C@@H](c2ccccc2)C1 ZINC001157495678 1033618787 /nfs/dbraw/zinc/61/87/87/1033618787.db2.gz KMKWYDSNVIWPIB-ISKFKSNPSA-N 2 1 387.527 3.615 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc3ccccc3c2)[C@H](c2ccccc2)C1 ZINC001157495171 1033619728 /nfs/dbraw/zinc/61/97/28/1033619728.db2.gz GYOIVXWKKMUNDB-ZEQRLZLVSA-N 2 1 387.527 3.615 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc3ccccc3c2)[C@H](c2ccccc2)C1 ZINC001157495171 1033619734 /nfs/dbraw/zinc/61/97/34/1033619734.db2.gz GYOIVXWKKMUNDB-ZEQRLZLVSA-N 2 1 387.527 3.615 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2c(-c3ccc(F)cc3)c3ccccc3nc2C2CC2)C[C@H]1O ZINC001205958373 1033654996 /nfs/dbraw/zinc/65/49/96/1033654996.db2.gz CCLCMWKYXYOCFX-IFMALSPDSA-N 2 1 391.490 3.812 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2c(-c3ccc(F)cc3)c3ccccc3nc2C2CC2)C[C@H]1O ZINC001205958373 1033655003 /nfs/dbraw/zinc/65/50/03/1033655003.db2.gz CCLCMWKYXYOCFX-IFMALSPDSA-N 2 1 391.490 3.812 20 0 GHADMP CCC(=O)C1(c2cccc(O[C@H]3[C@@H]4CCC[C@H]3C[N@H+](C)C4)c2)CC[NH+](C)CC1 ZINC001229736843 1033675587 /nfs/dbraw/zinc/67/55/87/1033675587.db2.gz ISUAKANSMQLEPO-MOJGAOKDSA-N 2 1 384.564 3.738 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013148 1033686188 /nfs/dbraw/zinc/68/61/88/1033686188.db2.gz PQVJBMKNWUEVEX-ZIAGYGMSSA-N 2 1 377.916 3.805 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc1C ZINC001206023263 1033691595 /nfs/dbraw/zinc/69/15/95/1033691595.db2.gz FDGRTRYBZBWMGP-HUUCEWRRSA-N 2 1 386.321 3.715 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N(CC(C)(C)C)C3CC[NH2+]CC3)n2)cc1 ZINC001157892113 1033812943 /nfs/dbraw/zinc/81/29/43/1033812943.db2.gz INLDLJJZXVISQH-UHFFFAOYSA-N 2 1 397.567 3.726 20 0 GHADMP CC(C)[N@H+](Cc1ccc(I)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206592144 1033917745 /nfs/dbraw/zinc/91/77/45/1033917745.db2.gz XRFXROFFVNVLIU-OAHLLOKOSA-N 2 1 390.284 3.783 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(I)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC001206592144 1033917751 /nfs/dbraw/zinc/91/77/51/1033917751.db2.gz XRFXROFFVNVLIU-OAHLLOKOSA-N 2 1 390.284 3.783 20 0 GHADMP Cc1ccc(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)cc1I ZINC001206606828 1033923125 /nfs/dbraw/zinc/92/31/25/1033923125.db2.gz UHVJPLRRGCOWTI-INIZCTEOSA-N 2 1 386.321 3.952 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(C(F)(F)F)nc3sccn23)CC1 ZINC001206755801 1033970311 /nfs/dbraw/zinc/97/03/11/1033970311.db2.gz QUQDENNYNBRYBS-UHFFFAOYSA-N 2 1 394.466 3.907 20 0 GHADMP COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158261330 1033991671 /nfs/dbraw/zinc/99/16/71/1033991671.db2.gz MCDXHCANYWAHJE-LBPRGKRZSA-N 2 1 395.334 3.552 20 0 GHADMP COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158261330 1033991675 /nfs/dbraw/zinc/99/16/75/1033991675.db2.gz MCDXHCANYWAHJE-LBPRGKRZSA-N 2 1 395.334 3.552 20 0 GHADMP CC1(C)C[C@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)C[C@](C)(C[NH3+])C1 ZINC001158264093 1033992705 /nfs/dbraw/zinc/99/27/05/1033992705.db2.gz AVLSSVDYHUIPKS-CYFREDJKSA-N 2 1 393.579 3.991 20 0 GHADMP CC1(C)C[C@H](Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)C[C@](C)(C[NH3+])C1 ZINC001158264093 1033992714 /nfs/dbraw/zinc/99/27/14/1033992714.db2.gz AVLSSVDYHUIPKS-CYFREDJKSA-N 2 1 393.579 3.991 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1 ZINC001206812541 1033995021 /nfs/dbraw/zinc/99/50/21/1033995021.db2.gz ZJNITYBTMVZHCE-IEBWSBKVSA-N 2 1 382.504 3.611 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2nc(Cl)ccc2C)c1 ZINC001158323068 1034022297 /nfs/dbraw/zinc/02/22/97/1034022297.db2.gz UYYXPHQUSZKCJU-UHFFFAOYSA-N 2 1 382.842 3.755 20 0 GHADMP C[C@@H]([NH3+])c1ccn(-c2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)n1 ZINC001158355970 1034042044 /nfs/dbraw/zinc/04/20/44/1034042044.db2.gz LNPMQAPZJRXMAP-CQSZACIVSA-N 2 1 396.564 3.617 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)CCC23CC(NC(=O)OC(C)(C)C)(C2)C3)CC1 ZINC001207228642 1034195589 /nfs/dbraw/zinc/19/55/89/1034195589.db2.gz FQWJMTTVWSIKLY-UHFFFAOYSA-N 2 1 379.589 3.876 20 0 GHADMP CCOC[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2c1cnn2CC ZINC001207289097 1034238585 /nfs/dbraw/zinc/23/85/85/1034238585.db2.gz HGBXNKXNUIIPJI-QFIPXVFZSA-N 2 1 396.579 3.751 20 0 GHADMP CCOC[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2c1cnn2CC ZINC001207289097 1034238604 /nfs/dbraw/zinc/23/86/04/1034238604.db2.gz HGBXNKXNUIIPJI-QFIPXVFZSA-N 2 1 396.579 3.751 20 0 GHADMP CCOC[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2c1cnn2CC ZINC001207289096 1034238916 /nfs/dbraw/zinc/23/89/16/1034238916.db2.gz HGBXNKXNUIIPJI-JOCHJYFZSA-N 2 1 396.579 3.751 20 0 GHADMP CCOC[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2c1cnn2CC ZINC001207289096 1034238925 /nfs/dbraw/zinc/23/89/25/1034238925.db2.gz HGBXNKXNUIIPJI-JOCHJYFZSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)N1CCOC[C@@]2(CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288574 1034239267 /nfs/dbraw/zinc/23/92/67/1034239267.db2.gz AEFAIHACIDHZFW-RUZDIDTESA-N 3 1 399.623 3.721 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288574 1034239282 /nfs/dbraw/zinc/23/92/82/1034239282.db2.gz AEFAIHACIDHZFW-RUZDIDTESA-N 3 1 399.623 3.721 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288574 1034239294 /nfs/dbraw/zinc/23/92/94/1034239294.db2.gz AEFAIHACIDHZFW-RUZDIDTESA-N 3 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288574 1034239305 /nfs/dbraw/zinc/23/93/05/1034239305.db2.gz AEFAIHACIDHZFW-RUZDIDTESA-N 3 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001207288574 1034239316 /nfs/dbraw/zinc/23/93/16/1034239316.db2.gz AEFAIHACIDHZFW-RUZDIDTESA-N 3 1 399.623 3.721 20 0 GHADMP COc1ccccc1CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001207456138 1034378154 /nfs/dbraw/zinc/37/81/54/1034378154.db2.gz OMIHPKRJEVRJGY-UHFFFAOYSA-N 2 1 380.532 3.605 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)CC1 ZINC001207483252 1034393281 /nfs/dbraw/zinc/39/32/81/1034393281.db2.gz VHHSKTRKQBLPTF-OAQYLSRUSA-N 2 1 377.523 3.956 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(C[NH2+]C3)CC2)n1 ZINC001159050234 1034401394 /nfs/dbraw/zinc/40/13/94/1034401394.db2.gz XJJVYLPTTFHNFM-UHFFFAOYSA-N 2 1 393.560 3.610 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCc4ccc(F)cc4)CC3)C2)c1 ZINC001207514189 1034420870 /nfs/dbraw/zinc/42/08/70/1034420870.db2.gz WGEYHGVOBDCPBX-UHFFFAOYSA-N 2 1 398.522 3.744 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCc4ccc(F)cc4)CC3)C2)c1 ZINC001207514189 1034420877 /nfs/dbraw/zinc/42/08/77/1034420877.db2.gz WGEYHGVOBDCPBX-UHFFFAOYSA-N 2 1 398.522 3.744 20 0 GHADMP COc1cccc(CCC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001207564182 1034451866 /nfs/dbraw/zinc/45/18/66/1034451866.db2.gz FFHPGABVUDFJJU-UHFFFAOYSA-N 2 1 394.559 3.995 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620306 1034491090 /nfs/dbraw/zinc/49/10/90/1034491090.db2.gz LYFUWIIMSGPDEW-ZZLPTCMGSA-N 2 1 381.564 3.597 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635352 1034501371 /nfs/dbraw/zinc/50/13/71/1034501371.db2.gz JEQLUBGELCKBIE-PMACEKPBSA-N 2 1 396.616 3.693 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC1CCSCC1)CC2 ZINC001207706971 1034535605 /nfs/dbraw/zinc/53/56/05/1034535605.db2.gz INIOKEJAGLTXAB-SFHVURJKSA-N 2 1 395.638 3.589 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)ccc1O ZINC001231422184 1034572531 /nfs/dbraw/zinc/57/25/31/1034572531.db2.gz SZWUFQVIEVGFKN-OAQYLSRUSA-N 2 1 398.503 3.648 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)c(Oc2ccccc2)c1 ZINC001231538180 1034694193 /nfs/dbraw/zinc/69/41/93/1034694193.db2.gz JPXLOJMHMRJCEP-FCHUYYIVSA-N 2 1 383.511 3.828 20 0 GHADMP CCOc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)ccc1OC(=O)C(C)C ZINC001231559359 1034711347 /nfs/dbraw/zinc/71/13/47/1034711347.db2.gz BLLVTQQPUZUOHV-UHFFFAOYSA-N 2 1 397.519 3.672 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001208108040 1034738869 /nfs/dbraw/zinc/73/88/69/1034738869.db2.gz NYRUUSOQGNNNIM-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP c1nc2n(c1CN1CCCCC1)CCN(Cc1coc(-c3ccccc3)n1)CC2 ZINC001231631215 1034791382 /nfs/dbraw/zinc/79/13/82/1034791382.db2.gz OBDVYDCFXIVVQD-UHFFFAOYSA-N 2 1 391.519 3.582 20 0 GHADMP [NH3+]C1CCN(c2ccc(F)cc2NC2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001160079898 1034852044 /nfs/dbraw/zinc/85/20/44/1034852044.db2.gz QEAQICKTTOMTDT-UHFFFAOYSA-N 2 1 380.511 3.955 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001208587939 1034945021 /nfs/dbraw/zinc/94/50/21/1034945021.db2.gz BJRDBLXHRPSPBM-XMMPIXPASA-N 2 1 393.575 3.738 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001208587939 1034945023 /nfs/dbraw/zinc/94/50/23/1034945023.db2.gz BJRDBLXHRPSPBM-XMMPIXPASA-N 2 1 393.575 3.738 20 0 GHADMP Clc1ccc(CC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001208742575 1034994105 /nfs/dbraw/zinc/99/41/05/1034994105.db2.gz CIXPXRMYIQPCPT-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1ccc(CC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001208742575 1034994109 /nfs/dbraw/zinc/99/41/09/1034994109.db2.gz CIXPXRMYIQPCPT-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1ccc(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001208742575 1034994112 /nfs/dbraw/zinc/99/41/12/1034994112.db2.gz CIXPXRMYIQPCPT-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1ccc(CC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001208745173 1034996244 /nfs/dbraw/zinc/99/62/44/1034996244.db2.gz WPVJEOUPSUIHPL-UHFFFAOYSA-N 2 1 399.966 3.892 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CCCc1ccc(F)cc1)CC2 ZINC001208764923 1035008561 /nfs/dbraw/zinc/00/85/61/1035008561.db2.gz GWNGXVLMLOTKMQ-QHCPKHFHSA-N 2 1 397.538 3.909 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001232014438 1035044173 /nfs/dbraw/zinc/04/41/73/1035044173.db2.gz IGCJROOVEXLLAO-ODOSVJCGSA-N 3 1 375.520 3.690 20 0 GHADMP Fc1cccnc1OC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232015262 1035045226 /nfs/dbraw/zinc/04/52/26/1035045226.db2.gz RXORATQJIARHJB-UNMCSNQZSA-N 2 1 396.466 3.547 20 0 GHADMP c1c(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232015482 1035046054 /nfs/dbraw/zinc/04/60/54/1035046054.db2.gz XFKCXUOUCROWPZ-GOTSBHOMSA-N 2 1 392.503 3.546 20 0 GHADMP Cc1nc(-n2cc(C[NH3+])c3ccc(Br)cc32)cc(N2CCCC2)[nH+]1 ZINC001160753670 1035057534 /nfs/dbraw/zinc/05/75/34/1035057534.db2.gz RMQGXBLGXSPCCB-UHFFFAOYSA-N 2 1 386.297 3.550 20 0 GHADMP CC(C)N(C)Cc1nnc2n1CCC[N@H+](CCCc1ccccc1Cl)C2 ZINC001208872971 1035071189 /nfs/dbraw/zinc/07/11/89/1035071189.db2.gz UYLZNYBVNWVFPO-UHFFFAOYSA-N 2 1 375.948 3.610 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](CCCc3ccccc3Cl)C2)C1 ZINC001208874360 1035071413 /nfs/dbraw/zinc/07/14/13/1035071413.db2.gz PSEFPMGHXUOABD-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCCc3ccccc3Cl)C2)C1 ZINC001208874360 1035071423 /nfs/dbraw/zinc/07/14/23/1035071423.db2.gz PSEFPMGHXUOABD-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCCc3ccccc3Cl)C2)C1 ZINC001208874360 1035071432 /nfs/dbraw/zinc/07/14/32/1035071432.db2.gz PSEFPMGHXUOABD-IFMALSPDSA-N 2 1 376.972 3.953 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ncccc3[nH]1)CC2 ZINC001232064789 1035074609 /nfs/dbraw/zinc/07/46/09/1035074609.db2.gz VKSTXCLQVMFQQI-NRFANRHFSA-N 2 1 390.531 3.818 20 0 GHADMP CCC(=O)C(C)(C)C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3cccs3)CO2)CC1 ZINC001208915928 1035087912 /nfs/dbraw/zinc/08/79/12/1035087912.db2.gz QXPKPGWFWMXFDB-QGZVFWFLSA-N 2 1 378.582 3.809 20 0 GHADMP CCC(=O)C(C)(C)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001208915928 1035087922 /nfs/dbraw/zinc/08/79/22/1035087922.db2.gz QXPKPGWFWMXFDB-QGZVFWFLSA-N 2 1 378.582 3.809 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934004 1035099739 /nfs/dbraw/zinc/09/97/39/1035099739.db2.gz XIWPUWLHDIWALX-MFMCRYCZSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208934004 1035099742 /nfs/dbraw/zinc/09/97/42/1035099742.db2.gz XIWPUWLHDIWALX-MFMCRYCZSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208934004 1035099745 /nfs/dbraw/zinc/09/97/45/1035099745.db2.gz XIWPUWLHDIWALX-MFMCRYCZSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208934004 1035099748 /nfs/dbraw/zinc/09/97/48/1035099748.db2.gz XIWPUWLHDIWALX-MFMCRYCZSA-N 2 1 399.579 3.888 20 0 GHADMP COC[C@H]1COCCC12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208936388 1035103604 /nfs/dbraw/zinc/10/36/04/1035103604.db2.gz SCQAGDVHZSSDCG-GOTSBHOMSA-N 2 1 386.580 3.664 20 0 GHADMP COC[C@H]1COCCC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936388 1035103609 /nfs/dbraw/zinc/10/36/09/1035103609.db2.gz SCQAGDVHZSSDCG-GOTSBHOMSA-N 2 1 386.580 3.664 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208939027 1035106210 /nfs/dbraw/zinc/10/62/10/1035106210.db2.gz AVEDWACQKBGXLE-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208939027 1035106213 /nfs/dbraw/zinc/10/62/13/1035106213.db2.gz AVEDWACQKBGXLE-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208939027 1035106215 /nfs/dbraw/zinc/10/62/15/1035106215.db2.gz AVEDWACQKBGXLE-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1cnc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208939027 1035106218 /nfs/dbraw/zinc/10/62/18/1035106218.db2.gz AVEDWACQKBGXLE-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940179 1035108122 /nfs/dbraw/zinc/10/81/22/1035108122.db2.gz AVBLMSQIPVOPBD-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208940179 1035108124 /nfs/dbraw/zinc/10/81/24/1035108124.db2.gz AVBLMSQIPVOPBD-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208940179 1035108132 /nfs/dbraw/zinc/10/81/32/1035108132.db2.gz AVBLMSQIPVOPBD-REWPJTCUSA-N 2 1 385.552 3.594 20 0 GHADMP CC1(C(=O)N2CCCC2)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208939910 1035108498 /nfs/dbraw/zinc/10/84/98/1035108498.db2.gz LEWNLJSPGMNJEL-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP Cc1ccnc(OC2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208942270 1035111331 /nfs/dbraw/zinc/11/13/31/1035111331.db2.gz HRKMGMQMWLICJI-NRFANRHFSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208941934 1035112469 /nfs/dbraw/zinc/11/24/69/1035112469.db2.gz NQQFVISVJYIEPX-BHDDXSALSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208941934 1035112472 /nfs/dbraw/zinc/11/24/72/1035112472.db2.gz NQQFVISVJYIEPX-BHDDXSALSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208941934 1035112474 /nfs/dbraw/zinc/11/24/74/1035112474.db2.gz NQQFVISVJYIEPX-BHDDXSALSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943246 1035113197 /nfs/dbraw/zinc/11/31/97/1035113197.db2.gz SLOYVMRRHBYOAG-CTNGQTDRSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943246 1035113204 /nfs/dbraw/zinc/11/32/04/1035113204.db2.gz SLOYVMRRHBYOAG-CTNGQTDRSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943246 1035113210 /nfs/dbraw/zinc/11/32/10/1035113210.db2.gz SLOYVMRRHBYOAG-CTNGQTDRSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943246 1035113217 /nfs/dbraw/zinc/11/32/17/1035113217.db2.gz SLOYVMRRHBYOAG-CTNGQTDRSA-N 2 1 387.568 3.840 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945418 1035115704 /nfs/dbraw/zinc/11/57/04/1035115704.db2.gz NIGHTVUICRVYCZ-OLKYXYMISA-N 2 1 384.564 3.557 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945418 1035115708 /nfs/dbraw/zinc/11/57/08/1035115708.db2.gz NIGHTVUICRVYCZ-OLKYXYMISA-N 2 1 384.564 3.557 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208945418 1035115713 /nfs/dbraw/zinc/11/57/13/1035115713.db2.gz NIGHTVUICRVYCZ-OLKYXYMISA-N 2 1 384.564 3.557 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3C[C@H]4CN(c5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208947440 1035116591 /nfs/dbraw/zinc/11/65/91/1035116591.db2.gz KAVRXZGWICLGCI-HJOGWXRNSA-N 2 1 375.560 3.967 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208946273 1035116692 /nfs/dbraw/zinc/11/66/92/1035116692.db2.gz TYDDVGSPZWCPQJ-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208946273 1035116700 /nfs/dbraw/zinc/11/67/00/1035116700.db2.gz TYDDVGSPZWCPQJ-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208946273 1035116706 /nfs/dbraw/zinc/11/67/06/1035116706.db2.gz TYDDVGSPZWCPQJ-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208946273 1035116713 /nfs/dbraw/zinc/11/67/13/1035116713.db2.gz TYDDVGSPZWCPQJ-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001232144180 1035121821 /nfs/dbraw/zinc/12/18/21/1035121821.db2.gz GYJPVHJZWYJPNS-AZUAARDMSA-N 2 1 391.531 3.719 20 0 GHADMP O=C(C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCCC1 ZINC001208950847 1035122474 /nfs/dbraw/zinc/12/24/74/1035122474.db2.gz WUOAECYXVYADPB-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)c1 ZINC001232146490 1035124302 /nfs/dbraw/zinc/12/43/02/1035124302.db2.gz QHTPUPBJOLTECL-UHFFFAOYSA-N 2 1 382.479 3.887 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c1 ZINC001232146129 1035124582 /nfs/dbraw/zinc/12/45/82/1035124582.db2.gz JAPMCKAHMSOWDE-OALUTQOASA-N 2 1 391.531 3.576 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)c1 ZINC001232148588 1035126295 /nfs/dbraw/zinc/12/62/95/1035126295.db2.gz RGEZYVGZEXADCH-UHFFFAOYSA-N 2 1 397.542 3.560 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001161054490 1035127157 /nfs/dbraw/zinc/12/71/57/1035127157.db2.gz AYFLTGJZKUXUOE-URLVKDPJSA-N 2 1 383.580 3.666 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)c1 ZINC001232149036 1035128080 /nfs/dbraw/zinc/12/80/80/1035128080.db2.gz JDTOWEYMPRSOCH-UZLBHIALSA-N 2 1 391.531 3.719 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3[C@@H](CCN3C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208960168 1035131064 /nfs/dbraw/zinc/13/10/64/1035131064.db2.gz USRRMYFILXTILA-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001208960168 1035131068 /nfs/dbraw/zinc/13/10/68/1035131068.db2.gz USRRMYFILXTILA-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001208960168 1035131075 /nfs/dbraw/zinc/13/10/75/1035131075.db2.gz USRRMYFILXTILA-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP COc1ccnc(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001232154840 1035132643 /nfs/dbraw/zinc/13/26/43/1035132643.db2.gz GCKZQRCMRKAXOC-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP COc1ccnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001232154840 1035132648 /nfs/dbraw/zinc/13/26/48/1035132648.db2.gz GCKZQRCMRKAXOC-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](CCOC(=O)c1ccccc1)CC2 ZINC001209043800 1035155971 /nfs/dbraw/zinc/15/59/71/1035155971.db2.gz WUUZEJXEBPATQL-NRFANRHFSA-N 2 1 382.504 3.813 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC4CCC5(CC4)OCCO5)CC[C@H]3C2)cc1 ZINC001209104664 1035174726 /nfs/dbraw/zinc/17/47/26/1035174726.db2.gz DWMDDUYUKCLPDL-XZOQPEGZSA-N 2 1 384.564 3.764 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@H]3C2)cc1 ZINC001209104664 1035174729 /nfs/dbraw/zinc/17/47/29/1035174729.db2.gz DWMDDUYUKCLPDL-XZOQPEGZSA-N 2 1 384.564 3.764 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@H]3C2)cc1 ZINC001209104664 1035174733 /nfs/dbraw/zinc/17/47/33/1035174733.db2.gz DWMDDUYUKCLPDL-XZOQPEGZSA-N 2 1 384.564 3.764 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCOc1ccccc1)CC2 ZINC001209296929 1035233975 /nfs/dbraw/zinc/23/39/75/1035233975.db2.gz MAYODAVCASJQQF-IBGZPJMESA-N 2 1 386.561 3.882 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC001209451324 1035277286 /nfs/dbraw/zinc/27/72/86/1035277286.db2.gz HQLLYOQLTDCXTL-FQEVSTJZSA-N 2 1 391.625 3.679 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451324 1035277291 /nfs/dbraw/zinc/27/72/91/1035277291.db2.gz HQLLYOQLTDCXTL-FQEVSTJZSA-N 3 1 391.625 3.679 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451324 1035277294 /nfs/dbraw/zinc/27/72/94/1035277294.db2.gz HQLLYOQLTDCXTL-FQEVSTJZSA-N 3 1 391.625 3.679 20 0 GHADMP CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209450820 1035277354 /nfs/dbraw/zinc/27/73/54/1035277354.db2.gz RLCXZUBECJAGDA-QFIPXVFZSA-N 2 1 383.580 3.733 20 0 GHADMP Cn1nc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c2ccccc21 ZINC001209579935 1035316315 /nfs/dbraw/zinc/31/63/15/1035316315.db2.gz KWDSPNVHHIAUKQ-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209591169 1035321503 /nfs/dbraw/zinc/32/15/03/1035321503.db2.gz NWLWNXJWENGCHU-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1cc(Cl)ncc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001209629745 1035337436 /nfs/dbraw/zinc/33/74/36/1035337436.db2.gz SAVDCSFYJOHNLK-UHFFFAOYSA-N 2 1 391.968 3.972 20 0 GHADMP Fc1cc(-c2noc(CCCC3CC[NH2+]CC3)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001248218935 1035649756 /nfs/dbraw/zinc/64/97/56/1035649756.db2.gz WNVXIHCBARVOJL-HXUWFJFHSA-N 2 1 395.482 3.930 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cccc(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001241760358 1035682942 /nfs/dbraw/zinc/68/29/42/1035682942.db2.gz FEYYUGSBKOTIRD-XMMPIXPASA-N 2 1 396.531 3.651 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1 ZINC001241768064 1035687598 /nfs/dbraw/zinc/68/75/98/1035687598.db2.gz DREPCLBTBRXKSE-QFIPXVFZSA-N 2 1 380.536 3.587 20 0 GHADMP CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cccc(C[NH+]3CCOCC3)c2)n1C ZINC001241815176 1035707420 /nfs/dbraw/zinc/70/74/20/1035707420.db2.gz PCMBOOROXPEFIV-UHFFFAOYSA-N 2 1 393.487 3.558 20 0 GHADMP C[NH+](C)CCOc1ccc(-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC001242146720 1035832135 /nfs/dbraw/zinc/83/21/35/1035832135.db2.gz PKDDSCIOIJRQMJ-UHFFFAOYSA-N 2 1 388.515 3.642 20 0 GHADMP CCCN(CCC)C(=O)c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001243257896 1036083047 /nfs/dbraw/zinc/08/30/47/1036083047.db2.gz UGXKEAQHFCRFDH-UHFFFAOYSA-N 2 1 376.504 3.950 20 0 GHADMP C[C@@](O)(C[NH2+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1)c1ccccc1 ZINC001246011101 1037131611 /nfs/dbraw/zinc/13/16/11/1037131611.db2.gz RRLKVYTUCWZRAL-LJQANCHMSA-N 2 1 378.438 3.781 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001246047501 1037160268 /nfs/dbraw/zinc/16/02/68/1037160268.db2.gz TYVXTBMDQVSHSU-XUVXKRRUSA-N 2 1 389.337 3.517 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001246047501 1037160276 /nfs/dbraw/zinc/16/02/76/1037160276.db2.gz TYVXTBMDQVSHSU-XUVXKRRUSA-N 2 1 389.337 3.517 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246050269 1037162121 /nfs/dbraw/zinc/16/21/21/1037162121.db2.gz DCYSSELYAHBAQW-NFBKMPQASA-N 2 1 376.585 3.835 20 0 GHADMP COc1cccc(OC[C@@H](O)C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246063627 1037176007 /nfs/dbraw/zinc/17/60/07/1037176007.db2.gz APVGWOVGKDRLGE-ACRUOGEOSA-N 2 1 390.568 3.587 20 0 GHADMP COc1ccccc1OC[C@@H](O)C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067911 1037181298 /nfs/dbraw/zinc/18/12/98/1037181298.db2.gz QHMDAKZTESUMBB-ACRUOGEOSA-N 2 1 390.568 3.587 20 0 GHADMP CC(C)C[N@H+](C[C@H](O)COCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001246069370 1037183914 /nfs/dbraw/zinc/18/39/14/1037183914.db2.gz NKPLXEKVEYASIB-CVEARBPZSA-N 2 1 389.367 3.581 20 0 GHADMP CC(C)C[N@@H+](C[C@H](O)COCc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001246069370 1037183923 /nfs/dbraw/zinc/18/39/23/1037183923.db2.gz NKPLXEKVEYASIB-CVEARBPZSA-N 2 1 389.367 3.581 20 0 GHADMP COc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246070386 1037185988 /nfs/dbraw/zinc/18/59/88/1037185988.db2.gz NQHQUCQPJJVYGN-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123882 1037205049 /nfs/dbraw/zinc/20/50/49/1037205049.db2.gz VHKKWVJMLDSLKS-NFBKMPQASA-N 3 1 395.566 3.848 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168726 1037222392 /nfs/dbraw/zinc/22/23/92/1037222392.db2.gz GIWWTRJVEIHPLY-CCDWMCETSA-N 2 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168726 1037222416 /nfs/dbraw/zinc/22/24/16/1037222416.db2.gz GIWWTRJVEIHPLY-CCDWMCETSA-N 3 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246168726 1037222426 /nfs/dbraw/zinc/22/24/26/1037222426.db2.gz GIWWTRJVEIHPLY-CCDWMCETSA-N 3 1 377.576 3.852 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC[NH2+]2)cc1 ZINC001246177124 1037223472 /nfs/dbraw/zinc/22/34/72/1037223472.db2.gz ZAXSWTGLTYNZEL-ZFXZZAOISA-N 2 1 389.587 3.850 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CC[NH2+]2)cc1 ZINC001246177124 1037223497 /nfs/dbraw/zinc/22/34/97/1037223497.db2.gz ZAXSWTGLTYNZEL-ZFXZZAOISA-N 3 1 389.587 3.850 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC[NH2+]2)cc1 ZINC001246177124 1037223517 /nfs/dbraw/zinc/22/35/17/1037223517.db2.gz ZAXSWTGLTYNZEL-ZFXZZAOISA-N 3 1 389.587 3.850 20 0 GHADMP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCc1ccccc1 ZINC001246190550 1037230022 /nfs/dbraw/zinc/23/00/22/1037230022.db2.gz FYGAEBQJEQORKM-KSZLIROESA-N 2 1 386.458 3.938 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[NH2+]C3(CCCCC3)C2)c2ccccc12 ZINC001246196054 1037233165 /nfs/dbraw/zinc/23/31/65/1037233165.db2.gz DQLGDTSQDGSYJR-ICSRJNTNSA-N 2 1 383.536 3.702 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)OC)c2ccc(OCc3ccccc3)cc2)CC[NH2+]1 ZINC001246253159 1037254631 /nfs/dbraw/zinc/25/46/31/1037254631.db2.gz CUGDKIMPGMLVGE-XPNTWCBSSA-N 2 1 396.531 3.990 20 0 GHADMP OCC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc(Br)c1 ZINC001246360354 1037319962 /nfs/dbraw/zinc/31/99/62/1037319962.db2.gz XWNRSMRYVIBUBI-QZTJIDSGSA-N 2 1 381.358 3.917 20 0 GHADMP COc1ccc(CC2(N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246374599 1037329923 /nfs/dbraw/zinc/32/99/23/1037329923.db2.gz FQDQDFPHDSYIEX-REWPJTCUSA-N 2 1 393.575 3.613 20 0 GHADMP Fc1cccc(CC2(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246379255 1037336629 /nfs/dbraw/zinc/33/66/29/1037336629.db2.gz MBUKEEMVWAKGME-XZOQPEGZSA-N 3 1 381.539 3.821 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC3CCOCC3)c(OC)c2)CC[NH2+]1 ZINC001246385992 1037346994 /nfs/dbraw/zinc/34/69/94/1037346994.db2.gz GXMTXVXTUHQPKH-NHCUHLMSSA-N 2 1 390.568 3.901 20 0 GHADMP COc1ccc(CC2(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246389663 1037349157 /nfs/dbraw/zinc/34/91/57/1037349157.db2.gz QJOJTCUNFFYLIV-UPVQGACJSA-N 3 1 393.575 3.690 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)CC[NH2+]1 ZINC001246388877 1037350458 /nfs/dbraw/zinc/35/04/58/1037350458.db2.gz NFWZPHOPFRVWMF-PMACEKPBSA-N 2 1 381.499 3.936 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246430573 1037391347 /nfs/dbraw/zinc/39/13/47/1037391347.db2.gz NISOOJQZVSQTRO-YOEHRIQHSA-N 2 1 384.442 3.606 20 0 GHADMP FC(F)(F)c1cccc(C2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246430864 1037391839 /nfs/dbraw/zinc/39/18/39/1037391839.db2.gz PZETZACSOSYIOV-MOPGFXCFSA-N 2 1 381.486 3.796 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246443332 1037405305 /nfs/dbraw/zinc/40/53/05/1037405305.db2.gz BOEYTVQIRFSRBD-HUUCEWRRSA-N 2 1 384.442 3.606 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@H](C(=O)Nc2cc3ccccc3c(OC)c2)C(C)C)CC[NH2+]1 ZINC001246478746 1037426808 /nfs/dbraw/zinc/42/68/08/1037426808.db2.gz AYBUFNHECOHMOG-FGSXEWAUSA-N 2 1 383.536 3.932 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+]CC[C@H]1CC[NH2+]CC1(F)F ZINC001246484018 1037430378 /nfs/dbraw/zinc/43/03/78/1037430378.db2.gz VTIYKAGZVNYPHL-UKRRQHHQSA-N 2 1 375.301 3.995 20 0 GHADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CCC[C@@H]1C[NH3+] ZINC001246561756 1037481186 /nfs/dbraw/zinc/48/11/86/1037481186.db2.gz LJFRIHYEDWHZBG-ZADIZFFCSA-N 2 1 383.580 3.624 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@H]1CCN[C@H](c3ccccc3)C1)CC2 ZINC001246585809 1037490263 /nfs/dbraw/zinc/49/02/63/1037490263.db2.gz JQSJPVDXNFGTOW-GOTSBHOMSA-N 2 1 378.516 3.644 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC001246585809 1037490306 /nfs/dbraw/zinc/49/03/06/1037490306.db2.gz JQSJPVDXNFGTOW-GOTSBHOMSA-N 2 1 378.516 3.644 20 0 GHADMP C[NH2+]CC1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246597785 1037496174 /nfs/dbraw/zinc/49/61/74/1037496174.db2.gz UUXPNEYQDTYWPJ-TWJOJJKGSA-N 2 1 389.587 3.903 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246617727 1037506657 /nfs/dbraw/zinc/50/66/57/1037506657.db2.gz FXIHFJFKXUSHKA-VJBWXMMDSA-N 3 1 385.596 3.566 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246617727 1037506682 /nfs/dbraw/zinc/50/66/82/1037506682.db2.gz FXIHFJFKXUSHKA-VJBWXMMDSA-N 3 1 385.596 3.566 20 0 GHADMP Brc1ccc(C2CCC([N@@H+]3CCO[C@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246615105 1037507256 /nfs/dbraw/zinc/50/72/56/1037507256.db2.gz CHWVJCDKIBZKFQ-UUKMXZOPSA-N 2 1 393.369 3.930 20 0 GHADMP Brc1ccc(C2CCC([N@H+]3CCO[C@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246615105 1037507276 /nfs/dbraw/zinc/50/72/76/1037507276.db2.gz CHWVJCDKIBZKFQ-UUKMXZOPSA-N 2 1 393.369 3.930 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3c(F)cccc3C1)CC2 ZINC001246630979 1037519097 /nfs/dbraw/zinc/51/90/97/1037519097.db2.gz MYORLAVMTMOCAR-LJQANCHMSA-N 2 1 380.507 3.829 20 0 GHADMP C[C@H]1C[C@@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)C[N@@H+]1Cc1ccccc1 ZINC001246639495 1037523856 /nfs/dbraw/zinc/52/38/56/1037523856.db2.gz OTTJHEQLEJLPAR-NZQKXSOJSA-N 2 1 375.560 3.786 20 0 GHADMP C[C@H]1C[C@@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)C[N@H+]1Cc1ccccc1 ZINC001246639495 1037523860 /nfs/dbraw/zinc/52/38/60/1037523860.db2.gz OTTJHEQLEJLPAR-NZQKXSOJSA-N 2 1 375.560 3.786 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001246651691 1037525268 /nfs/dbraw/zinc/52/52/68/1037525268.db2.gz YJMXAXLBJSNVRQ-VEDCXYSMSA-N 2 1 376.928 3.521 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC001246651691 1037525275 /nfs/dbraw/zinc/52/52/75/1037525275.db2.gz YJMXAXLBJSNVRQ-VEDCXYSMSA-N 2 1 376.928 3.521 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCCC[C@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246655284 1037529109 /nfs/dbraw/zinc/52/91/09/1037529109.db2.gz YVYWCZOGWSYCLW-KELBGUDLSA-N 2 1 395.591 3.926 20 0 GHADMP CC1(C)C[C@H](N2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC001246659153 1037530852 /nfs/dbraw/zinc/53/08/52/1037530852.db2.gz WDQLYTBHRRKSPQ-NSHGMRRFSA-N 3 1 381.486 3.513 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246675872 1037542870 /nfs/dbraw/zinc/54/28/70/1037542870.db2.gz YUHDAXHOYKHEOB-FQUZAXHOSA-N 2 1 375.560 3.733 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CCN2)cc1 ZINC001246675872 1037542888 /nfs/dbraw/zinc/54/28/88/1037542888.db2.gz YUHDAXHOYKHEOB-FQUZAXHOSA-N 2 1 375.560 3.733 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001246683272 1037545966 /nfs/dbraw/zinc/54/59/66/1037545966.db2.gz IEIZSAABOSJAID-NDEVUPSOSA-N 2 1 389.587 3.903 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)C[C@@H](CC)[NH2+]1 ZINC001246694878 1037553221 /nfs/dbraw/zinc/55/32/21/1037553221.db2.gz NWXFTWAOAVGMNT-RTBURBONSA-N 2 1 382.527 3.993 20 0 GHADMP c1ccc(N2CCC[C@@]3(C2)C[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)cc1 ZINC001246714064 1037563243 /nfs/dbraw/zinc/56/32/43/1037563243.db2.gz IOPAUVQSWUPNPY-LADGPHEKSA-N 2 1 383.580 3.813 20 0 GHADMP c1ccc(N2CCC[C@@]3(C2)C[N@@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)cc1 ZINC001246714064 1037563254 /nfs/dbraw/zinc/56/32/54/1037563254.db2.gz IOPAUVQSWUPNPY-LADGPHEKSA-N 2 1 383.580 3.813 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4CCC[C@@]4(COc4cccnc4)C3)CC[NH2+]2)cc1 ZINC001246716518 1037570215 /nfs/dbraw/zinc/57/02/15/1037570215.db2.gz AHRZCLMTQRYLNB-WBJOIXBTSA-N 2 1 391.559 3.926 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CCC[C@@]4(CC[NH2+]C4)C2)C3)c1 ZINC001246728606 1037577525 /nfs/dbraw/zinc/57/75/25/1037577525.db2.gz YYRUAEMFPMMUFZ-YCAMKHIRSA-N 2 1 383.580 3.931 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCC[C@]4(CC[NH2+]C4)C2)CC3)c1 ZINC001246744016 1037585484 /nfs/dbraw/zinc/58/54/84/1037585484.db2.gz YFICHEMJDABCCN-DHLKQENFSA-N 3 1 397.607 3.905 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)C[C@H](CC)[NH2+]1 ZINC001246745113 1037585779 /nfs/dbraw/zinc/58/57/79/1037585779.db2.gz MERDKSDSMOXJSC-KKXBDNRESA-N 2 1 391.531 3.532 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759093 1037602460 /nfs/dbraw/zinc/60/24/60/1037602460.db2.gz PZAXICVWPSAKMO-YADHBBJMSA-N 2 1 385.596 3.520 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@@H]3CN([C@H]4CC[NH2+]C5(CCCCC5)C4)CC[N@H+]3C2)cc1 ZINC001246765493 1037610107 /nfs/dbraw/zinc/61/01/07/1037610107.db2.gz JWIUGFNLTSXDHI-QZNHQXDQSA-N 2 1 383.580 3.587 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)cc1 ZINC001246779980 1037617695 /nfs/dbraw/zinc/61/76/95/1037617695.db2.gz PJKVVJYBNZFCCD-JBRSBNLGSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+][C@@H](c5ccccc5)C4)C3)CC2=O)cc1 ZINC001246779980 1037617703 /nfs/dbraw/zinc/61/77/03/1037617703.db2.gz PJKVVJYBNZFCCD-JBRSBNLGSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246778836 1037618088 /nfs/dbraw/zinc/61/80/88/1037618088.db2.gz ODKBFBYROGRJPE-FYYLOGMGSA-N 2 1 381.564 3.879 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246778839 1037618449 /nfs/dbraw/zinc/61/84/49/1037618449.db2.gz ODKBFBYROGRJPE-GGAORHGYSA-N 2 1 381.564 3.879 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)cc1 ZINC001246779986 1037618549 /nfs/dbraw/zinc/61/85/49/1037618549.db2.gz PJKVVJYBNZFCCD-SONWIMMPSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)cc1 ZINC001246779986 1037618563 /nfs/dbraw/zinc/61/85/63/1037618563.db2.gz PJKVVJYBNZFCCD-SONWIMMPSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+](C4CCC5(CCC[NH2+]C5)CC4)C3)CC2=O)cc1 ZINC001246780949 1037620360 /nfs/dbraw/zinc/62/03/60/1037620360.db2.gz QWLNFCYJWHDMIZ-VZYOYLOZSA-N 2 1 381.564 3.736 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246783150 1037623575 /nfs/dbraw/zinc/62/35/75/1037623575.db2.gz NRYAJDHFNNMOCC-PMOLBWCYSA-N 2 1 394.401 3.876 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC001246806751 1037639999 /nfs/dbraw/zinc/63/99/99/1037639999.db2.gz HZISYLHZDDEGSG-JTHBVZDNSA-N 2 1 379.523 3.888 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC001246806751 1037640016 /nfs/dbraw/zinc/64/00/16/1037640016.db2.gz HZISYLHZDDEGSG-JTHBVZDNSA-N 2 1 379.523 3.888 20 0 GHADMP Cc1ccccc1O[C@H](CC[N@H+](C)[C@H]1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246824823 1037657999 /nfs/dbraw/zinc/65/79/99/1037657999.db2.gz TWVGIWOICNDKKM-JTHBVZDNSA-N 2 1 380.532 3.958 20 0 GHADMP COC(=O)C1C[C@@H]2CC([N@H+](CCc3ccccc3)Cc3ccccc3)C[C@H](C1)[NH2+]2 ZINC001246836843 1037665244 /nfs/dbraw/zinc/66/52/44/1037665244.db2.gz BZNBFPQBNOFANK-VVTBANEOSA-N 2 1 392.543 3.804 20 0 GHADMP COC(=O)C1C[C@@H]2CC([N@@H+](CCc3ccccc3)Cc3ccccc3)C[C@H](C1)[NH2+]2 ZINC001246836843 1037665253 /nfs/dbraw/zinc/66/52/53/1037665253.db2.gz BZNBFPQBNOFANK-VVTBANEOSA-N 2 1 392.543 3.804 20 0 GHADMP CCOc1cccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)c1 ZINC001246863993 1037683703 /nfs/dbraw/zinc/68/37/03/1037683703.db2.gz NVAODSHATHBCER-JTHBVZDNSA-N 2 1 379.548 3.571 20 0 GHADMP CC[C@H]1CC([NH+]2CCN(c3cc(C)nn3-c3ccccc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246879384 1037693726 /nfs/dbraw/zinc/69/37/26/1037693726.db2.gz MVOJLSJDNHNCKT-PMACEKPBSA-N 2 1 381.568 3.612 20 0 GHADMP C[Si](C)(C)CCOCN[C@@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246891652 1037705510 /nfs/dbraw/zinc/70/55/10/1037705510.db2.gz FIWFCVWARGTRKA-QNGMFEMESA-N 2 1 381.681 3.665 20 0 GHADMP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246891652 1037705527 /nfs/dbraw/zinc/70/55/27/1037705527.db2.gz FIWFCVWARGTRKA-QNGMFEMESA-N 2 1 381.681 3.665 20 0 GHADMP CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246889611 1037705630 /nfs/dbraw/zinc/70/56/30/1037705630.db2.gz GAWHRCZVULSPTI-HBMCJLEFSA-N 2 1 376.541 3.550 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246889611 1037705647 /nfs/dbraw/zinc/70/56/47/1037705647.db2.gz GAWHRCZVULSPTI-HBMCJLEFSA-N 2 1 376.541 3.550 20 0 GHADMP CCOC(=O)C1CCC([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246939661 1037746175 /nfs/dbraw/zinc/74/61/75/1037746175.db2.gz TZAPANFHYUASNX-UHFFFAOYSA-N 2 1 376.516 3.749 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1)CO2 ZINC001246941919 1037747121 /nfs/dbraw/zinc/74/71/21/1037747121.db2.gz JIGMCOPXNMOOMU-FQEVSTJZSA-N 2 1 384.495 3.640 20 0 GHADMP C(CN1CCOCC1)C[N@@H+](CC1CC[NH2+]CC1)C1CCC2(CCCC2)CC1 ZINC001246941818 1037748205 /nfs/dbraw/zinc/74/82/05/1037748205.db2.gz IDVAQVPWTDPAQN-UHFFFAOYSA-N 2 1 377.617 3.513 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)C2CCc3ccccc3CC2)c1 ZINC001246953424 1037758494 /nfs/dbraw/zinc/75/84/94/1037758494.db2.gz BKVHYBFXOGMBDJ-UHFFFAOYSA-N 2 1 392.543 3.975 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954574 1037761268 /nfs/dbraw/zinc/76/12/68/1037761268.db2.gz IGGSJABCCUMYDQ-IRXDYDNUSA-N 2 1 380.479 3.641 20 0 GHADMP Cc1ccc(F)cc1CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246956217 1037765046 /nfs/dbraw/zinc/76/50/46/1037765046.db2.gz QYXPNRUWFDOHNO-XMMPIXPASA-N 2 1 381.539 3.963 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccncc2)[C@H]2CC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246957622 1037771610 /nfs/dbraw/zinc/77/16/10/1037771610.db2.gz BVXKPLIJWVUMLA-KZTDQWPFSA-N 2 1 378.564 3.687 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246959501 1037777777 /nfs/dbraw/zinc/77/77/77/1037777777.db2.gz JBZVJUPGIHCHBE-UHFFFAOYSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246960842 1037780345 /nfs/dbraw/zinc/78/03/45/1037780345.db2.gz OKLMUTJRRKIDGB-UHFFFAOYSA-N 2 1 392.515 3.510 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001246966370 1037790836 /nfs/dbraw/zinc/79/08/36/1037790836.db2.gz UEJRGMRCAICWIW-XRXFAXGQSA-N 2 1 388.552 3.889 20 0 GHADMP COc1ccc(C[N@H+](C2CC[NH2+]CC2)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001246968022 1037791473 /nfs/dbraw/zinc/79/14/73/1037791473.db2.gz WOWRNOFDMHHMEA-HXUWFJFHSA-N 2 1 386.923 3.906 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC001246968022 1037791493 /nfs/dbraw/zinc/79/14/93/1037791493.db2.gz WOWRNOFDMHHMEA-HXUWFJFHSA-N 2 1 386.923 3.906 20 0 GHADMP CO[C@@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1N ZINC001246983501 1037805550 /nfs/dbraw/zinc/80/55/50/1037805550.db2.gz SMROCMVNQJVPDC-ZOOXZOTBSA-N 3 1 393.575 3.658 20 0 GHADMP CO[C@@H]1CN(C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC001246983501 1037805569 /nfs/dbraw/zinc/80/55/69/1037805569.db2.gz SMROCMVNQJVPDC-ZOOXZOTBSA-N 3 1 393.575 3.658 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246989070 1037813587 /nfs/dbraw/zinc/81/35/87/1037813587.db2.gz LGRLLFCZDOSRPD-QRQLOZEOSA-N 2 1 379.342 3.825 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246990781 1037815289 /nfs/dbraw/zinc/81/52/89/1037815289.db2.gz JBSIGZVVSGPDCK-TZRRMPRUSA-N 2 1 392.543 3.805 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001247009711 1037831574 /nfs/dbraw/zinc/83/15/74/1037831574.db2.gz LKRLFFLBYMEQQQ-GEALJGNFSA-N 2 1 392.385 3.801 20 0 GHADMP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001462219528 1070094361 /nfs/dbraw/zinc/09/43/61/1070094361.db2.gz KKTYTNGTEZQYKK-VTZPFEBOSA-N 2 1 399.623 3.720 20 0 GHADMP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001462219528 1070094375 /nfs/dbraw/zinc/09/43/75/1070094375.db2.gz KKTYTNGTEZQYKK-VTZPFEBOSA-N 2 1 399.623 3.720 20 0 GHADMP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001462219528 1070094394 /nfs/dbraw/zinc/09/43/94/1070094394.db2.gz KKTYTNGTEZQYKK-VTZPFEBOSA-N 2 1 399.623 3.720 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(C)n1 ZINC001232311764 1038069683 /nfs/dbraw/zinc/06/96/83/1038069683.db2.gz NCGREUBBDMGIPK-UHFFFAOYSA-N 2 1 380.536 3.672 20 0 GHADMP Cc1ccc(OC(C)C)c(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001232395990 1038180059 /nfs/dbraw/zinc/18/00/59/1038180059.db2.gz HYMLUWCBGOFPSW-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1ccc(OC(C)C)c(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001232395990 1038180065 /nfs/dbraw/zinc/18/00/65/1038180065.db2.gz HYMLUWCBGOFPSW-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1ccc(OC(C)C)c(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1 ZINC001232395990 1038180077 /nfs/dbraw/zinc/18/00/77/1038180077.db2.gz HYMLUWCBGOFPSW-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1ccc(OC(C)C)c(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001232395990 1038180086 /nfs/dbraw/zinc/18/00/86/1038180086.db2.gz HYMLUWCBGOFPSW-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP Cc1ccc(OC(C)C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC001232395990 1038180087 /nfs/dbraw/zinc/18/00/87/1038180087.db2.gz HYMLUWCBGOFPSW-ISKFKSNPSA-N 2 1 386.580 3.963 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1nc3ccccc3o1)CC2 ZINC001232556059 1038323940 /nfs/dbraw/zinc/32/39/40/1038323940.db2.gz FNTPOGANLOIOHB-KRWDZBQOSA-N 2 1 381.476 3.676 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(Cl)c3ccccc3n(C)c2=O)CC1 ZINC001232643047 1038429110 /nfs/dbraw/zinc/42/91/10/1038429110.db2.gz UWAKCOAHYVPKIN-UHFFFAOYSA-N 2 1 396.922 3.634 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)c2n1 ZINC001232645828 1038432414 /nfs/dbraw/zinc/43/24/14/1038432414.db2.gz NOQZLXKAVGWHFS-UHFFFAOYSA-N 2 1 392.341 3.780 20 0 GHADMP Cc1cc2ccccc2nc1-c1noc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247906372 1038478011 /nfs/dbraw/zinc/47/80/11/1038478011.db2.gz VROXBYDMXKJRQL-KRWDZBQOSA-N 2 1 377.492 3.525 20 0 GHADMP [NH3+][C@H](Cc1ccc(F)c(F)c1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001248005914 1038534745 /nfs/dbraw/zinc/53/47/45/1038534745.db2.gz UHKFYADKYCEMST-JGZYNSJSSA-N 2 1 397.429 3.719 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(C)cc4C)CC3)C2)cc1 ZINC001233007706 1038767710 /nfs/dbraw/zinc/76/77/10/1038767710.db2.gz ZKUWDTRBKFRLDS-UHFFFAOYSA-N 2 1 379.548 3.874 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462304308 1070157019 /nfs/dbraw/zinc/15/70/19/1070157019.db2.gz HJDJULUGENWSTI-GBESFXJTSA-N 2 1 385.552 3.694 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462304308 1070157033 /nfs/dbraw/zinc/15/70/33/1070157033.db2.gz HJDJULUGENWSTI-GBESFXJTSA-N 2 1 385.552 3.694 20 0 GHADMP Fc1ccc2c(c1)n[nH]c2C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001233122202 1038909494 /nfs/dbraw/zinc/90/94/94/1038909494.db2.gz XGVMQUWNRIJTRR-UHFFFAOYSA-N 2 1 394.494 3.569 20 0 GHADMP Oc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233227186 1038988010 /nfs/dbraw/zinc/98/80/10/1038988010.db2.gz ZVPLYFQJACJRAD-YADHBBJMSA-N 2 1 393.531 3.530 20 0 GHADMP Oc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233227186 1038988018 /nfs/dbraw/zinc/98/80/18/1038988018.db2.gz ZVPLYFQJACJRAD-YADHBBJMSA-N 2 1 393.531 3.530 20 0 GHADMP Oc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233227186 1038988023 /nfs/dbraw/zinc/98/80/23/1038988023.db2.gz ZVPLYFQJACJRAD-YADHBBJMSA-N 2 1 393.531 3.530 20 0 GHADMP Oc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1OCC1CC1 ZINC001233227186 1038988025 /nfs/dbraw/zinc/98/80/25/1038988025.db2.gz ZVPLYFQJACJRAD-YADHBBJMSA-N 2 1 393.531 3.530 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1O ZINC001233230818 1038992312 /nfs/dbraw/zinc/99/23/12/1038992312.db2.gz DBCZPYVFPNLWLF-QFIPXVFZSA-N 2 1 380.532 3.956 20 0 GHADMP COc1ccc(CC2(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CCC2)cc1 ZINC001252950740 1039295343 /nfs/dbraw/zinc/29/53/43/1039295343.db2.gz MKJAACDBLSBVAO-VWLOTQADSA-N 2 1 394.559 3.635 20 0 GHADMP COc1ccc(CC2(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCC2)cc1 ZINC001252950740 1039295350 /nfs/dbraw/zinc/29/53/50/1039295350.db2.gz MKJAACDBLSBVAO-VWLOTQADSA-N 2 1 394.559 3.635 20 0 GHADMP O[C@@]1(C[NH2+]C2(CC3CC3)CCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252953743 1039297523 /nfs/dbraw/zinc/29/75/23/1039297523.db2.gz OSBUUPVFRINSME-OAQYLSRUSA-N 2 1 378.507 3.961 20 0 GHADMP O[C@@]1(C[NH2+]C2(CC3CC3)CCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252953743 1039297531 /nfs/dbraw/zinc/29/75/31/1039297531.db2.gz OSBUUPVFRINSME-OAQYLSRUSA-N 2 1 378.507 3.961 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001252996576 1039325733 /nfs/dbraw/zinc/32/57/33/1039325733.db2.gz DOBICEAXLMDCFL-UXHICEINSA-N 2 1 377.573 3.523 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001253291602 1039538957 /nfs/dbraw/zinc/53/89/57/1039538957.db2.gz LPZIUAVFQUHTKA-HUVFLSCGSA-N 2 1 382.548 3.597 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001253291602 1039538968 /nfs/dbraw/zinc/53/89/68/1039538968.db2.gz LPZIUAVFQUHTKA-HUVFLSCGSA-N 2 1 382.548 3.597 20 0 GHADMP Cc1c2ccccc2sc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001233690587 1039541424 /nfs/dbraw/zinc/54/14/24/1039541424.db2.gz BWCLEJYEDBTBHY-DOTOQJQBSA-N 2 1 390.597 3.842 20 0 GHADMP Cc1c2ccccc2sc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001233690587 1039541428 /nfs/dbraw/zinc/54/14/28/1039541428.db2.gz BWCLEJYEDBTBHY-DOTOQJQBSA-N 2 1 390.597 3.842 20 0 GHADMP O[C@H](CCOCc1ccccc1)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001253298999 1039545005 /nfs/dbraw/zinc/54/50/05/1039545005.db2.gz XIWWHULVFAATEO-ZKGSSEMHSA-N 2 1 394.559 3.739 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C[C@@H](O)COC(C)(C)C)CC3)C2)cc1 ZINC001253452570 1039648092 /nfs/dbraw/zinc/64/80/92/1039648092.db2.gz LHOBLDBKJBXXMT-JOCHJYFZSA-N 2 1 388.596 3.849 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(Cc3ccc4c(n3)OCCO4)C[C@@H]21 ZINC001233858790 1039667834 /nfs/dbraw/zinc/66/78/34/1039667834.db2.gz JQNDRTJNMRARGY-LSTHTHJFSA-N 2 1 399.560 3.647 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1)CC(C)C ZINC001254122329 1039998005 /nfs/dbraw/zinc/99/80/05/1039998005.db2.gz LIHQMMALFYYNRE-UHFFFAOYSA-N 2 1 397.567 3.796 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1)CC(C)C ZINC001254122329 1039998014 /nfs/dbraw/zinc/99/80/14/1039998014.db2.gz LIHQMMALFYYNRE-UHFFFAOYSA-N 2 1 397.567 3.796 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001254201994 1040051507 /nfs/dbraw/zinc/05/15/07/1040051507.db2.gz JMLOMYPQRVNFSC-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001254201994 1040051525 /nfs/dbraw/zinc/05/15/25/1040051525.db2.gz JMLOMYPQRVNFSC-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001254201994 1040051532 /nfs/dbraw/zinc/05/15/32/1040051532.db2.gz JMLOMYPQRVNFSC-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001254238925 1040090558 /nfs/dbraw/zinc/09/05/58/1040090558.db2.gz QHCKQPSMQISRHQ-WDSOQIARSA-N 2 1 393.572 3.817 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC001254511332 1040290783 /nfs/dbraw/zinc/29/07/83/1040290783.db2.gz YXOZHNQQKCHKHW-IBGZPJMESA-N 3 1 394.401 3.735 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)CC1 ZINC001254523699 1040297097 /nfs/dbraw/zinc/29/70/97/1040297097.db2.gz QXPWCYCXFDKLBI-QHCPKHFHSA-N 2 1 383.580 3.735 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)o2)c(Cl)c1 ZINC001234986656 1040483712 /nfs/dbraw/zinc/48/37/12/1040483712.db2.gz DXIFFBMBRHGSJU-SFHVURJKSA-N 2 1 399.844 3.756 20 0 GHADMP CN1CCC([N@@H+](C)C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254792485 1040553511 /nfs/dbraw/zinc/55/35/11/1040553511.db2.gz BSRHLVFGNJJJIN-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP Cc1nnc(-c2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2)o1 ZINC001235065544 1040555471 /nfs/dbraw/zinc/55/54/71/1040555471.db2.gz KGFVYVQDIICSBR-DHIUTWEWSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)cc2)o1 ZINC001235065544 1040555488 /nfs/dbraw/zinc/55/54/88/1040555488.db2.gz KGFVYVQDIICSBR-DHIUTWEWSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2)o1 ZINC001235065544 1040555501 /nfs/dbraw/zinc/55/55/01/1040555501.db2.gz KGFVYVQDIICSBR-DHIUTWEWSA-N 2 1 388.515 3.999 20 0 GHADMP CCCCN(c1ccccc1)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235064977 1040555856 /nfs/dbraw/zinc/55/58/56/1040555856.db2.gz ZNVIUJNRZOXWDK-DEOSSOPVSA-N 2 1 378.564 3.762 20 0 GHADMP CCCCN(c1ccccc1)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235064977 1040555877 /nfs/dbraw/zinc/55/58/77/1040555877.db2.gz ZNVIUJNRZOXWDK-DEOSSOPVSA-N 2 1 378.564 3.762 20 0 GHADMP CSc1ncc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001235152121 1040642247 /nfs/dbraw/zinc/64/22/47/1040642247.db2.gz CCTVZCJRJYOAKC-LJQANCHMSA-N 2 1 389.613 3.907 20 0 GHADMP COc1cc(OC)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1Br ZINC001235154268 1040647173 /nfs/dbraw/zinc/64/71/73/1040647173.db2.gz KOPIKKLNEWLSIK-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP Brc1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)nc2c1 ZINC001235158034 1040652182 /nfs/dbraw/zinc/65/21/82/1040652182.db2.gz TYEKUHBFPGVTKK-QGZVFWFLSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]c2c1 ZINC001235158034 1040652205 /nfs/dbraw/zinc/65/22/05/1040652205.db2.gz TYEKUHBFPGVTKK-QGZVFWFLSA-N 2 1 377.330 3.680 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)nc2c1 ZINC001235238922 1040720265 /nfs/dbraw/zinc/72/02/65/1040720265.db2.gz GOFPPDHMWSLPRJ-OAHLLOKOSA-N 2 1 382.430 3.816 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001235260589 1040741245 /nfs/dbraw/zinc/74/12/45/1040741245.db2.gz VSXMHSYXTMZZTB-HSZRJFAPSA-N 2 1 394.563 3.542 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)CO1 ZINC001255068777 1040763924 /nfs/dbraw/zinc/76/39/24/1040763924.db2.gz CNHMLRLBUPLTHE-STAYPELNSA-N 2 1 390.527 3.657 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CO1 ZINC001255068777 1040763941 /nfs/dbraw/zinc/76/39/41/1040763941.db2.gz CNHMLRLBUPLTHE-STAYPELNSA-N 2 1 390.527 3.657 20 0 GHADMP Cc1cc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc2[nH+]1 ZINC001255109560 1040790666 /nfs/dbraw/zinc/79/06/66/1040790666.db2.gz BUQYBLLMLGFUPJ-JOCHJYFZSA-N 2 1 386.543 3.940 20 0 GHADMP c1ccc(C[NH+]2CC3(C2)CCN([C@@H]2CC[N@@H+](Cc4ccccc4)C2)CC3)cc1 ZINC001255119587 1040809794 /nfs/dbraw/zinc/80/97/94/1040809794.db2.gz WIQCJTOCLDXHHS-XMMPIXPASA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(CN2CC[C@@H]([NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)C2)cc1 ZINC001255119587 1040809813 /nfs/dbraw/zinc/80/98/13/1040809813.db2.gz WIQCJTOCLDXHHS-XMMPIXPASA-N 2 1 375.560 3.859 20 0 GHADMP Fc1ccc(C(F)(F)F)c(Br)c1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235343004 1040813668 /nfs/dbraw/zinc/81/36/68/1040813668.db2.gz ZLCHAWYDKRWAMT-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP Fc1ccc(C(F)(F)F)c(Br)c1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235343004 1040813682 /nfs/dbraw/zinc/81/36/82/1040813682.db2.gz ZLCHAWYDKRWAMT-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)OCc1ccccc1 ZINC001255127992 1040819633 /nfs/dbraw/zinc/81/96/33/1040819633.db2.gz HPPJVOAXGFNKMR-WBDAEOGXSA-N 2 1 378.516 3.905 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(O)cc1 ZINC001255131269 1040824554 /nfs/dbraw/zinc/82/45/54/1040824554.db2.gz ZGVNJJSKMFQAMC-ADYITMSISA-N 2 1 394.515 3.782 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(O)cc1 ZINC001255131269 1040824583 /nfs/dbraw/zinc/82/45/83/1040824583.db2.gz ZGVNJJSKMFQAMC-ADYITMSISA-N 2 1 394.515 3.782 20 0 GHADMP [NH3+]C1(c2cccnc2)CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255130847 1040825418 /nfs/dbraw/zinc/82/54/18/1040825418.db2.gz JTTUZSWNPPZZLB-NUNAXRQHSA-N 2 1 376.548 3.527 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2(c4ccncc4)CCOCC2)C3)cc1 ZINC001255132024 1040829318 /nfs/dbraw/zinc/82/93/18/1040829318.db2.gz HSLYGHDQYXOSSL-JOZNFPNDSA-N 2 1 391.559 3.915 20 0 GHADMP O[C@@]1(C(F)(F)F)CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255136423 1040839815 /nfs/dbraw/zinc/83/98/15/1040839815.db2.gz LACBTGFKUUWRFM-YRPNKDGESA-N 2 1 382.470 3.961 20 0 GHADMP O[C@@]1(C(F)(F)F)CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136423 1040839833 /nfs/dbraw/zinc/83/98/33/1040839833.db2.gz LACBTGFKUUWRFM-YRPNKDGESA-N 2 1 382.470 3.961 20 0 GHADMP O[C@@]1(C(F)(F)F)CCCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136423 1040839840 /nfs/dbraw/zinc/83/98/40/1040839840.db2.gz LACBTGFKUUWRFM-YRPNKDGESA-N 2 1 382.470 3.961 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255142086 1040851247 /nfs/dbraw/zinc/85/12/47/1040851247.db2.gz YNYPXPNBRVXSJX-UDIRQSBCSA-N 2 1 384.564 3.700 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255142086 1040851249 /nfs/dbraw/zinc/85/12/49/1040851249.db2.gz YNYPXPNBRVXSJX-UDIRQSBCSA-N 2 1 384.564 3.700 20 0 GHADMP O=C(C1CCC1)N1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255144097 1040855069 /nfs/dbraw/zinc/85/50/69/1040855069.db2.gz LXVRWQZDXSAOBE-JKHIJQBDSA-N 2 1 381.564 3.516 20 0 GHADMP O=C(C1CCC1)N1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255144097 1040855077 /nfs/dbraw/zinc/85/50/77/1040855077.db2.gz LXVRWQZDXSAOBE-JKHIJQBDSA-N 2 1 381.564 3.516 20 0 GHADMP O=C(C1CCC1)N1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255144097 1040855087 /nfs/dbraw/zinc/85/50/87/1040855087.db2.gz LXVRWQZDXSAOBE-JKHIJQBDSA-N 2 1 381.564 3.516 20 0 GHADMP O=C(C1CCC1)N1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255144097 1040855099 /nfs/dbraw/zinc/85/50/99/1040855099.db2.gz LXVRWQZDXSAOBE-JKHIJQBDSA-N 2 1 381.564 3.516 20 0 GHADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235365261 1040857239 /nfs/dbraw/zinc/85/72/39/1040857239.db2.gz NKYKZIKBXOIHLN-NOZRDPDXSA-N 2 1 386.543 3.934 20 0 GHADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)s1 ZINC001235367536 1040861443 /nfs/dbraw/zinc/86/14/43/1040861443.db2.gz TXUUXTTYZITHMI-SIKLNZKXSA-N 2 1 384.593 3.743 20 0 GHADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)s1 ZINC001235367536 1040861467 /nfs/dbraw/zinc/86/14/67/1040861467.db2.gz TXUUXTTYZITHMI-SIKLNZKXSA-N 2 1 384.593 3.743 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235366841 1040863063 /nfs/dbraw/zinc/86/30/63/1040863063.db2.gz RTXUWQNDLQTCJA-REWPJTCUSA-N 2 1 387.568 3.545 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@H+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001235369381 1040868553 /nfs/dbraw/zinc/86/85/53/1040868553.db2.gz MGNWRWBUUJXTOX-ZJSXRUAMSA-N 2 1 378.516 3.601 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2ccc4c(c2)OCCCO4)CC3)cc1 ZINC001235369381 1040868584 /nfs/dbraw/zinc/86/85/84/1040868584.db2.gz MGNWRWBUUJXTOX-ZJSXRUAMSA-N 2 1 378.516 3.601 20 0 GHADMP Brc1ccc2ccccc2c1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235369565 1040870159 /nfs/dbraw/zinc/87/01/59/1040870159.db2.gz SKAWBZQOBJQTGX-JXXFODFXSA-N 2 1 387.321 3.555 20 0 GHADMP CCC(=O)N(CC)C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255151372 1040876451 /nfs/dbraw/zinc/87/64/51/1040876451.db2.gz XQOYQIASUMELMF-JKHIJQBDSA-N 2 1 383.580 3.905 20 0 GHADMP Oc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1OCC1CC1 ZINC001235377927 1040893354 /nfs/dbraw/zinc/89/33/54/1040893354.db2.gz WGPKVZFVEQZWGD-QPPBQGQZSA-N 2 1 378.516 3.760 20 0 GHADMP Oc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1OCC1CC1 ZINC001235377927 1040893371 /nfs/dbraw/zinc/89/33/71/1040893371.db2.gz WGPKVZFVEQZWGD-QPPBQGQZSA-N 2 1 378.516 3.760 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001255188950 1040894808 /nfs/dbraw/zinc/89/48/08/1040894808.db2.gz QUHFJCKVHPVSHC-YSFYHYPLSA-N 2 1 385.552 3.640 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235379040 1040897261 /nfs/dbraw/zinc/89/72/61/1040897261.db2.gz FRRKYAZUIICJMF-UKILVPOCSA-N 2 1 392.543 3.545 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(OCc2ccccc2)c1 ZINC001235378349 1040897378 /nfs/dbraw/zinc/89/73/78/1040897378.db2.gz GOCPNNGHEQCHLM-WMTXJRDZSA-N 2 1 378.516 3.527 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC001255199860 1040902763 /nfs/dbraw/zinc/90/27/63/1040902763.db2.gz JRTJDRCSXFGASN-TXZRGUEPSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC001255199860 1040902764 /nfs/dbraw/zinc/90/27/64/1040902764.db2.gz JRTJDRCSXFGASN-TXZRGUEPSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)C1CCN(Cc3ccccc3)CC1)C2 ZINC001255204628 1040903937 /nfs/dbraw/zinc/90/39/37/1040903937.db2.gz QFQGPIFNVPBWAV-KOUNCHBCSA-N 2 1 385.552 3.735 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)cc1 ZINC001235398404 1040912347 /nfs/dbraw/zinc/91/23/47/1040912347.db2.gz VNRZSDSQWQQENY-AZUAARDMSA-N 2 1 383.511 3.972 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431070 1040932215 /nfs/dbraw/zinc/93/22/15/1040932215.db2.gz UHTQNKOQABMSLV-LSDHHAIUSA-N 2 1 391.357 3.547 20 0 GHADMP Clc1ccc(N2CCC([NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nn1 ZINC001255380681 1040972209 /nfs/dbraw/zinc/97/22/09/1040972209.db2.gz MCGOFJCOFBRPBP-LJQANCHMSA-N 2 1 399.970 3.743 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255387627 1040976565 /nfs/dbraw/zinc/97/65/65/1040976565.db2.gz URPGJVLFPHOZTL-CLAROIROSA-N 2 1 399.579 3.886 20 0 GHADMP O=C1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)[C@H](c2ccccc2)N1 ZINC001255389675 1040978238 /nfs/dbraw/zinc/97/82/38/1040978238.db2.gz PQVLKASNCAKFNW-FIXSFTCYSA-N 2 1 377.532 3.651 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255391477 1040979415 /nfs/dbraw/zinc/97/94/15/1040979415.db2.gz QMBGBDFICJNNRI-QHCPKHFHSA-N 2 1 378.564 3.690 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@H]3CCC[N@H+](Cc4ccccc4)CC3)cn21 ZINC001255392774 1040981095 /nfs/dbraw/zinc/98/10/95/1040981095.db2.gz LIXNCQUIKCVRQC-NRFANRHFSA-N 2 1 377.536 3.997 20 0 GHADMP CC(C)c1nnc2ccc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)cn21 ZINC001255392774 1040981102 /nfs/dbraw/zinc/98/11/02/1040981102.db2.gz LIXNCQUIKCVRQC-NRFANRHFSA-N 2 1 377.536 3.997 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3(Cc4cccnc4)CCOCC3)CC2)cc1 ZINC001255393680 1040981332 /nfs/dbraw/zinc/98/13/32/1040981332.db2.gz TVWNWYXECGHGDD-QHCPKHFHSA-N 2 1 379.548 3.818 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255393209 1040981751 /nfs/dbraw/zinc/98/17/51/1040981751.db2.gz MKYQDHSAXILMGP-BJKOFHAPSA-N 2 1 391.559 3.936 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255402556 1040989729 /nfs/dbraw/zinc/98/97/29/1040989729.db2.gz PAXPGJPXYYBALQ-RBZQAINGSA-N 2 1 386.580 3.949 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402556 1040989738 /nfs/dbraw/zinc/98/97/38/1040989738.db2.gz PAXPGJPXYYBALQ-RBZQAINGSA-N 2 1 386.580 3.949 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402556 1040989740 /nfs/dbraw/zinc/98/97/40/1040989740.db2.gz PAXPGJPXYYBALQ-RBZQAINGSA-N 2 1 386.580 3.949 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403667 1040991030 /nfs/dbraw/zinc/99/10/30/1040991030.db2.gz FBQRJEUZVWFZEH-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403667 1040991032 /nfs/dbraw/zinc/99/10/32/1040991032.db2.gz FBQRJEUZVWFZEH-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403667 1040991035 /nfs/dbraw/zinc/99/10/35/1040991035.db2.gz FBQRJEUZVWFZEH-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP C[N@@H+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409611 1040997312 /nfs/dbraw/zinc/99/73/12/1040997312.db2.gz IXKRIVBNNPVIHU-FNAHDJPLSA-N 2 1 399.579 3.838 20 0 GHADMP C[NH+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409611 1040997314 /nfs/dbraw/zinc/99/73/14/1040997314.db2.gz IXKRIVBNNPVIHU-FNAHDJPLSA-N 2 1 399.579 3.838 20 0 GHADMP C[NH+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409611 1040997317 /nfs/dbraw/zinc/99/73/17/1040997317.db2.gz IXKRIVBNNPVIHU-FNAHDJPLSA-N 2 1 399.579 3.838 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409695 1040997482 /nfs/dbraw/zinc/99/74/82/1040997482.db2.gz LDCKKNHDMBSDFY-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409695 1040997498 /nfs/dbraw/zinc/99/74/98/1040997498.db2.gz LDCKKNHDMBSDFY-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409695 1040997500 /nfs/dbraw/zinc/99/75/00/1040997500.db2.gz LDCKKNHDMBSDFY-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409695 1040997501 /nfs/dbraw/zinc/99/75/01/1040997501.db2.gz LDCKKNHDMBSDFY-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001235594516 1041005864 /nfs/dbraw/zinc/00/58/64/1041005864.db2.gz RRVMZTHMLHVTNO-AABGKKOBSA-N 2 1 389.609 3.946 20 0 GHADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C[C@@H]2Cc4ccccc4C[NH2+]2)C3)c1 ZINC001235629157 1041060242 /nfs/dbraw/zinc/06/02/42/1041060242.db2.gz OOOJPCAQEOXXON-BJKOFHAPSA-N 2 1 379.523 3.581 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)CC[C@@H]21 ZINC001235634926 1041067964 /nfs/dbraw/zinc/06/79/64/1041067964.db2.gz BNOHAMIQNSPMHU-LYSIVYOWSA-N 2 1 377.523 3.811 20 0 GHADMP CC(C)CN1c2ccccc2[C@@H]2C[N@H+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)CC[C@@H]21 ZINC001235634926 1041067985 /nfs/dbraw/zinc/06/79/85/1041067985.db2.gz BNOHAMIQNSPMHU-LYSIVYOWSA-N 2 1 377.523 3.811 20 0 GHADMP FC(F)(F)C1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001255519592 1041109573 /nfs/dbraw/zinc/10/95/73/1041109573.db2.gz YTGBMAMYMUNPDM-YNIZLOQISA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)C1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001255519592 1041109592 /nfs/dbraw/zinc/10/95/92/1041109592.db2.gz YTGBMAMYMUNPDM-YNIZLOQISA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)C1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001255519592 1041109604 /nfs/dbraw/zinc/10/96/04/1041109604.db2.gz YTGBMAMYMUNPDM-YNIZLOQISA-N 2 1 397.485 3.725 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664126 1041117216 /nfs/dbraw/zinc/11/72/16/1041117216.db2.gz YOPLPXADZCKRFT-YUXAGFNASA-N 2 1 396.604 3.521 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664126 1041117233 /nfs/dbraw/zinc/11/72/33/1041117233.db2.gz YOPLPXADZCKRFT-YUXAGFNASA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664126 1041117256 /nfs/dbraw/zinc/11/72/56/1041117256.db2.gz YOPLPXADZCKRFT-YUXAGFNASA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664126 1041117295 /nfs/dbraw/zinc/11/72/95/1041117295.db2.gz YOPLPXADZCKRFT-YUXAGFNASA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664126 1041117327 /nfs/dbraw/zinc/11/73/27/1041117327.db2.gz YOPLPXADZCKRFT-YUXAGFNASA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CC3)OCCO4)C[C@H]21 ZINC001255625349 1041178066 /nfs/dbraw/zinc/17/80/66/1041178066.db2.gz QRJBNYIMTZFUSP-IOMROCGXSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](C3CCC4(CC3)OCCO4)C[C@H]21 ZINC001255625349 1041178075 /nfs/dbraw/zinc/17/80/75/1041178075.db2.gz QRJBNYIMTZFUSP-IOMROCGXSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CC3)OCCO4)C[C@H]21 ZINC001255625349 1041178082 /nfs/dbraw/zinc/17/80/82/1041178082.db2.gz QRJBNYIMTZFUSP-IOMROCGXSA-N 2 1 390.593 3.966 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001255713565 1041239070 /nfs/dbraw/zinc/23/90/70/1041239070.db2.gz DZPBIQWNSBKQQI-DLBZAZTESA-N 2 1 384.490 3.848 20 0 GHADMP CC[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235761559 1041250946 /nfs/dbraw/zinc/25/09/46/1041250946.db2.gz MLFIDIMGADWFPS-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP CC[N@@H+](Cc1cc(Br)ccc1OC(F)(F)F)C1CC[NH2+]CC1 ZINC001235761559 1041250968 /nfs/dbraw/zinc/25/09/68/1041250968.db2.gz MLFIDIMGADWFPS-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001235796773 1041298203 /nfs/dbraw/zinc/29/82/03/1041298203.db2.gz VQHJVJNAJBKKFA-SFTDATJTSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001235796773 1041298208 /nfs/dbraw/zinc/29/82/08/1041298208.db2.gz VQHJVJNAJBKKFA-SFTDATJTSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001235796773 1041298216 /nfs/dbraw/zinc/29/82/16/1041298216.db2.gz VQHJVJNAJBKKFA-SFTDATJTSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001255792109 1041300134 /nfs/dbraw/zinc/30/01/34/1041300134.db2.gz UAPGEWYEBQXASW-GATIMQMVSA-N 2 1 392.591 3.998 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001255792109 1041300159 /nfs/dbraw/zinc/30/01/59/1041300159.db2.gz UAPGEWYEBQXASW-GATIMQMVSA-N 2 1 392.591 3.998 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001255792109 1041300191 /nfs/dbraw/zinc/30/01/91/1041300191.db2.gz UAPGEWYEBQXASW-GATIMQMVSA-N 2 1 392.591 3.998 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001255903767 1041385589 /nfs/dbraw/zinc/38/55/89/1041385589.db2.gz NLTMUHNFKWRPOL-IBGZPJMESA-N 2 1 391.531 3.561 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C[C@@H]3C2)cc1 ZINC001255911692 1041394616 /nfs/dbraw/zinc/39/46/16/1041394616.db2.gz LOVIDWLXPBIBSY-BHIFYINESA-N 2 1 399.579 3.758 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)C[C@@H]3C2)cc1 ZINC001255911692 1041394627 /nfs/dbraw/zinc/39/46/27/1041394627.db2.gz LOVIDWLXPBIBSY-BHIFYINESA-N 2 1 399.579 3.758 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001235872327 1041405742 /nfs/dbraw/zinc/40/57/42/1041405742.db2.gz RLUUONXDKUODCY-FGZHOGPDSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001235872327 1041405759 /nfs/dbraw/zinc/40/57/59/1041405759.db2.gz RLUUONXDKUODCY-FGZHOGPDSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001235872327 1041405776 /nfs/dbraw/zinc/40/57/76/1041405776.db2.gz RLUUONXDKUODCY-FGZHOGPDSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001235872326 1041406436 /nfs/dbraw/zinc/40/64/36/1041406436.db2.gz RLUUONXDKUODCY-FCHUYYIVSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001235872326 1041406454 /nfs/dbraw/zinc/40/64/54/1041406454.db2.gz RLUUONXDKUODCY-FCHUYYIVSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001235872326 1041406465 /nfs/dbraw/zinc/40/64/65/1041406465.db2.gz RLUUONXDKUODCY-FCHUYYIVSA-N 2 1 393.531 3.602 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235887087 1041412593 /nfs/dbraw/zinc/41/25/93/1041412593.db2.gz GWSYOVBKSGELBQ-QGZVFWFLSA-N 2 1 382.346 3.595 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC001235893709 1041417076 /nfs/dbraw/zinc/41/70/76/1041417076.db2.gz QTKSLLBZKQPDHU-MAUKXSAKSA-N 2 1 378.358 3.623 20 0 GHADMP COc1cccc(OC)c1CN1CCC([N@@H+](C(C)C)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255928997 1041417874 /nfs/dbraw/zinc/41/78/74/1041417874.db2.gz FINIGEOZUHAIFC-WGSAOQKQSA-N 2 1 389.584 3.649 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2cc(C(=O)OC)c(-c3ccoc3)nc2CC1 ZINC001255959447 1041438122 /nfs/dbraw/zinc/43/81/22/1041438122.db2.gz LTADNGBESGRUGU-QGZVFWFLSA-N 2 1 399.535 3.649 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2cc(C(=O)OC)c(-c3ccoc3)nc2CC1 ZINC001255959447 1041438138 /nfs/dbraw/zinc/43/81/38/1041438138.db2.gz LTADNGBESGRUGU-QGZVFWFLSA-N 2 1 399.535 3.649 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001255960956 1041439980 /nfs/dbraw/zinc/43/99/80/1041439980.db2.gz BDPSPDQHAHOXSF-QFIPXVFZSA-N 2 1 387.612 3.782 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001255962719 1041444388 /nfs/dbraw/zinc/44/43/88/1041444388.db2.gz YDRNMOICSVEDOC-XLIONFOSSA-N 2 1 398.517 3.879 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001255962719 1041444400 /nfs/dbraw/zinc/44/44/00/1041444400.db2.gz YDRNMOICSVEDOC-XLIONFOSSA-N 2 1 398.517 3.879 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)s2)cc1 ZINC001235941256 1041447903 /nfs/dbraw/zinc/44/79/03/1041447903.db2.gz VEJINJUELJJCLB-UONOGXRCSA-N 2 1 378.339 3.614 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[NH2+]C[C@@H]4C3)s2)cc1 ZINC001235941256 1041447909 /nfs/dbraw/zinc/44/79/09/1041447909.db2.gz VEJINJUELJJCLB-UONOGXRCSA-N 2 1 378.339 3.614 20 0 GHADMP COCC[N@@H+](Cc1ccc(Br)c2ccccc12)C1CC[NH2+]CC1 ZINC001235945957 1041451201 /nfs/dbraw/zinc/45/12/01/1041451201.db2.gz YYXNEAAQKUSJGL-UHFFFAOYSA-N 2 1 377.326 3.803 20 0 GHADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc(OC)c1OCc1ccccc1 ZINC001235956508 1041462359 /nfs/dbraw/zinc/46/23/59/1041462359.db2.gz FFBSQVMOCDEFQQ-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc(OC)c1OCc1ccccc1 ZINC001235956508 1041462371 /nfs/dbraw/zinc/46/23/71/1041462371.db2.gz FFBSQVMOCDEFQQ-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP COc1ccccc1[C@H](O)C[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)C(C)C ZINC001235963113 1041468122 /nfs/dbraw/zinc/46/81/22/1041468122.db2.gz PLBQQIFALNKYPQ-JOCHJYFZSA-N 2 1 393.531 3.697 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2ccccc2Oc2cccc(Cl)c2)CC1 ZINC001236067073 1041519092 /nfs/dbraw/zinc/51/90/92/1041519092.db2.gz LNLVONOLZKUBFC-HXUWFJFHSA-N 2 1 388.895 3.845 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001236082580 1041525710 /nfs/dbraw/zinc/52/57/10/1041525710.db2.gz MUJYOCKDBHSFSA-QHCPKHFHSA-N 2 1 381.539 3.964 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC001236083439 1041526207 /nfs/dbraw/zinc/52/62/07/1041526207.db2.gz QQYRVEFEPKBKGE-UHFFFAOYSA-N 2 1 377.454 3.709 20 0 GHADMP c1cc2c(cc1C[N@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)C[NH2+]CC2 ZINC001236093802 1041529606 /nfs/dbraw/zinc/52/96/06/1041529606.db2.gz YUVFGIMDPAUSOV-KVZCNWPJSA-N 3 1 377.576 3.727 20 0 GHADMP c1cc2c(cc1C[NH+]1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)C[NH2+]CC2 ZINC001236093802 1041529619 /nfs/dbraw/zinc/52/96/19/1041529619.db2.gz YUVFGIMDPAUSOV-KVZCNWPJSA-N 3 1 377.576 3.727 20 0 GHADMP c1cc2c(cc1C[NH+]1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)C[NH2+]CC2 ZINC001236093802 1041529635 /nfs/dbraw/zinc/52/96/35/1041529635.db2.gz YUVFGIMDPAUSOV-KVZCNWPJSA-N 3 1 377.576 3.727 20 0 GHADMP c1cc2c(cc1C[N@@H+]1CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]31)C[NH2+]CC2 ZINC001236093802 1041529654 /nfs/dbraw/zinc/52/96/54/1041529654.db2.gz YUVFGIMDPAUSOV-KVZCNWPJSA-N 2 1 377.576 3.727 20 0 GHADMP c1cc2c(cc1C[N@H+]1CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]31)C[NH2+]CC2 ZINC001236093802 1041529671 /nfs/dbraw/zinc/52/96/71/1041529671.db2.gz YUVFGIMDPAUSOV-KVZCNWPJSA-N 2 1 377.576 3.727 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@H]1CCC[C@H](c3ccccc3)C1)CCC2 ZINC001256119140 1041552980 /nfs/dbraw/zinc/55/29/80/1041552980.db2.gz PCUFZLWTWCRSSV-VXKWHMMOSA-N 2 1 396.579 3.893 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(Br)c3ccc(OC)nc23)CC1 ZINC001236214893 1041625678 /nfs/dbraw/zinc/62/56/78/1041625678.db2.gz JYACDWGOZPRYEE-UHFFFAOYSA-N 2 1 392.341 3.968 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC1 ZINC001236216139 1041626201 /nfs/dbraw/zinc/62/62/01/1041626201.db2.gz KFMZHJYNOVAPBO-UHFFFAOYSA-N 2 1 382.504 3.957 20 0 GHADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001236228339 1041634335 /nfs/dbraw/zinc/63/43/35/1041634335.db2.gz UHVNLLILEWTRNV-UHFFFAOYSA-N 2 1 393.575 3.791 20 0 GHADMP [NH3+]C1CCC([N@H+](Cc2ccccc2)Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001236228339 1041634337 /nfs/dbraw/zinc/63/43/37/1041634337.db2.gz UHVNLLILEWTRNV-UHFFFAOYSA-N 3 1 393.575 3.791 20 0 GHADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001236228339 1041634340 /nfs/dbraw/zinc/63/43/40/1041634340.db2.gz UHVNLLILEWTRNV-UHFFFAOYSA-N 3 1 393.575 3.791 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)CC1(C)CC[NH2+]CC1 ZINC001236287409 1041660634 /nfs/dbraw/zinc/66/06/34/1041660634.db2.gz FBADNMGIJDMWPW-VQTJNVASSA-N 2 1 376.516 3.749 20 0 GHADMP Brc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)sc1Br ZINC001236320717 1041670634 /nfs/dbraw/zinc/67/06/34/1041670634.db2.gz CCZUMISYTFWSME-AOOOYVTPSA-N 2 1 394.176 3.705 20 0 GHADMP COc1ccc(-c2c(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cnn2C)cc1 ZINC001236375387 1041687387 /nfs/dbraw/zinc/68/73/87/1041687387.db2.gz JUBRCYRLHQUSTR-SFHVURJKSA-N 2 1 382.552 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001256294798 1041688536 /nfs/dbraw/zinc/68/85/36/1041688536.db2.gz HITKXAWKWQIAAD-DEOSSOPVSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256294798 1041688541 /nfs/dbraw/zinc/68/85/41/1041688541.db2.gz HITKXAWKWQIAAD-DEOSSOPVSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256294798 1041688542 /nfs/dbraw/zinc/68/85/42/1041688542.db2.gz HITKXAWKWQIAAD-DEOSSOPVSA-N 2 1 399.579 3.984 20 0 GHADMP COc1nccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c1Cl ZINC001236385593 1041693709 /nfs/dbraw/zinc/69/37/09/1041693709.db2.gz XNEDXQZJVKMBJS-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COc1nccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c1Cl ZINC001236385593 1041693714 /nfs/dbraw/zinc/69/37/14/1041693714.db2.gz XNEDXQZJVKMBJS-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236443822 1041715062 /nfs/dbraw/zinc/71/50/62/1041715062.db2.gz WGMSVZALNFKYPX-UHFFFAOYSA-N 2 1 382.504 3.626 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236443822 1041715069 /nfs/dbraw/zinc/71/50/69/1041715069.db2.gz WGMSVZALNFKYPX-UHFFFAOYSA-N 2 1 382.504 3.626 20 0 GHADMP Clc1ccc(C[N@H+](Cc2ccc(-n3nccn3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236455194 1041719410 /nfs/dbraw/zinc/71/94/10/1041719410.db2.gz QYEWGKZXIYGDCD-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2ccc(-n3nccn3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236455194 1041719418 /nfs/dbraw/zinc/71/94/18/1041719418.db2.gz QYEWGKZXIYGDCD-UHFFFAOYSA-N 2 1 381.911 3.675 20 0 GHADMP CCOCC[N@@H+](Cc1c[nH]c2cc(Br)ccc12)C1CC[NH2+]CC1 ZINC001236463032 1041724944 /nfs/dbraw/zinc/72/49/44/1041724944.db2.gz ZXDQSOJQWCDCDS-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](CCc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1 ZINC001236464463 1041725896 /nfs/dbraw/zinc/72/58/96/1041725896.db2.gz GABROIANZBFGAH-UHFFFAOYSA-N 2 1 388.458 3.548 20 0 GHADMP CCOCC[N@H+](Cc1cc(OC(C)C)cc(OC(C)C)c1)C1CC[NH2+]CC1 ZINC001236464745 1041725975 /nfs/dbraw/zinc/72/59/75/1041725975.db2.gz FUJCOIYJVTWIFE-UHFFFAOYSA-N 2 1 378.557 3.852 20 0 GHADMP CCOCC[N@@H+](Cc1cc(OC(C)C)cc(OC(C)C)c1)C1CC[NH2+]CC1 ZINC001236464745 1041725983 /nfs/dbraw/zinc/72/59/83/1041725983.db2.gz FUJCOIYJVTWIFE-UHFFFAOYSA-N 2 1 378.557 3.852 20 0 GHADMP CCOCC[N@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)C1CC[NH2+]CC1 ZINC001236465150 1041726884 /nfs/dbraw/zinc/72/68/84/1041726884.db2.gz MKVJCBVDYGCWAO-UHFFFAOYSA-N 2 1 396.531 3.731 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)C1CC[NH2+]CC1 ZINC001236465150 1041726887 /nfs/dbraw/zinc/72/68/87/1041726887.db2.gz MKVJCBVDYGCWAO-UHFFFAOYSA-N 2 1 396.531 3.731 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccnc3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236465224 1041726912 /nfs/dbraw/zinc/72/69/12/1041726912.db2.gz QGZXFQROQGMDBY-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccnc3ccccc23)C2CC[NH2+]CC2)c1 ZINC001236465224 1041726918 /nfs/dbraw/zinc/72/69/18/1041726918.db2.gz QGZXFQROQGMDBY-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP COc1ccc(C[N@@H+](CCc2ccc3c(c2)CCO3)C2CC[NH2+]CC2)cc1F ZINC001236515466 1041748968 /nfs/dbraw/zinc/74/89/68/1041748968.db2.gz IJURDJYHNNCNBZ-UHFFFAOYSA-N 2 1 384.495 3.566 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001236533489 1041754755 /nfs/dbraw/zinc/75/47/55/1041754755.db2.gz TYEDRKUDRLXDAU-GOSISDBHSA-N 2 1 386.565 3.665 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(-n3ccnn3)cc2)Cc2ccccc2F)CC1 ZINC001236537902 1041755491 /nfs/dbraw/zinc/75/54/91/1041755491.db2.gz XXYUBQOSIDWCQA-MXVIHJGJSA-N 2 1 379.483 3.679 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cn3cccc(C)c3n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544266 1041757413 /nfs/dbraw/zinc/75/74/13/1041757413.db2.gz JOEWIWARTXBMJK-XUTJKUGGSA-N 2 1 378.520 3.923 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236554640 1041760360 /nfs/dbraw/zinc/76/03/60/1041760360.db2.gz OSTZCCRMRFJMJA-KSTPKZIDSA-N 2 1 380.479 3.879 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236557398 1041761383 /nfs/dbraw/zinc/76/13/83/1041761383.db2.gz MKNGWOKBWIFRIA-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)CCO2)c1 ZINC001236604860 1041777152 /nfs/dbraw/zinc/77/71/52/1041777152.db2.gz QEWKSDYKVGCIMH-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)CCO2)c1 ZINC001236604860 1041777159 /nfs/dbraw/zinc/77/71/59/1041777159.db2.gz QEWKSDYKVGCIMH-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP Fc1ccc(C[N@@H+](C2CCC2)C2CC[NH2+]CC2)cc1I ZINC001236634004 1041796026 /nfs/dbraw/zinc/79/60/26/1041796026.db2.gz OEPAZAQYRSXYAL-UHFFFAOYSA-N 2 1 388.268 3.537 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1[nH]nc2ccc(F)cc21)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709145 1041846270 /nfs/dbraw/zinc/84/62/70/1041846270.db2.gz FDWYJZOHLPOKNU-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccccc1C[N@H+](Cc1c(F)ccc(N)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710107 1041847491 /nfs/dbraw/zinc/84/74/91/1041847491.db2.gz MZLKYZQWQCCKQW-WKILWMFISA-N 2 1 375.463 3.828 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1c(F)ccc(N)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710107 1041847499 /nfs/dbraw/zinc/84/74/99/1041847499.db2.gz MZLKYZQWQCCKQW-WKILWMFISA-N 2 1 375.463 3.828 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2cn(Cc3ccccc3)nn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722127 1041856671 /nfs/dbraw/zinc/85/66/71/1041856671.db2.gz DVWRDVFLUQSFDN-HCGLCNNCSA-N 2 1 389.547 3.907 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2ccccc2N2CC[NH2+]CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729105 1041861481 /nfs/dbraw/zinc/86/14/81/1041861481.db2.gz MNEFRFVYXOSOCT-RQNOJGIXSA-N 3 1 392.591 3.677 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2cccc(N3CCOCC3)c2)CC1 ZINC001236755915 1041875183 /nfs/dbraw/zinc/87/51/83/1041875183.db2.gz WRFCOHTWFIDDMX-YHBQERECSA-N 2 1 397.538 3.934 20 0 GHADMP CCC[N@@H+](Cc1c2cc(Cl)ccc2[nH]c1C(=O)OCC)C[C@@H]1CC[NH2+]C1 ZINC001236843518 1041925524 /nfs/dbraw/zinc/92/55/24/1041925524.db2.gz PHOSKWWZBYCPQV-CQSZACIVSA-N 2 1 377.916 3.820 20 0 GHADMP CCC[N@H+](Cc1c2cc(Cl)ccc2[nH]c1C(=O)OCC)C[C@@H]1CC[NH2+]C1 ZINC001236843518 1041925527 /nfs/dbraw/zinc/92/55/27/1041925527.db2.gz PHOSKWWZBYCPQV-CQSZACIVSA-N 2 1 377.916 3.820 20 0 GHADMP Fc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c2occc21 ZINC001236894174 1041943427 /nfs/dbraw/zinc/94/34/27/1041943427.db2.gz OCVJZVZVWJDAMG-XMSQKQJNSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c2occc21 ZINC001236894174 1041943431 /nfs/dbraw/zinc/94/34/31/1041943431.db2.gz OCVJZVZVWJDAMG-XMSQKQJNSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c2occc21 ZINC001236894174 1041943433 /nfs/dbraw/zinc/94/34/33/1041943433.db2.gz OCVJZVZVWJDAMG-XMSQKQJNSA-N 2 1 395.478 3.690 20 0 GHADMP C[N@@H+](Cc1ccc(Br)cc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236898064 1041944535 /nfs/dbraw/zinc/94/45/35/1041944535.db2.gz ILFQRIIREGFTON-UHFFFAOYSA-N 2 1 388.353 3.833 20 0 GHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)cc1OC ZINC001236898233 1041944850 /nfs/dbraw/zinc/94/48/50/1041944850.db2.gz JJPCQSUEUBYZNP-JOCHJYFZSA-N 2 1 395.547 3.793 20 0 GHADMP Cc1cc(Br)cc(C)c1C[N@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001237039829 1041999657 /nfs/dbraw/zinc/99/96/57/1041999657.db2.gz VSMCLJMOXBTRQL-UHFFFAOYSA-N 2 1 394.401 3.714 20 0 GHADMP Cc1cc(Br)cc(C)c1C[N@@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001237039829 1041999658 /nfs/dbraw/zinc/99/96/58/1041999658.db2.gz VSMCLJMOXBTRQL-UHFFFAOYSA-N 2 1 394.401 3.714 20 0 GHADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001237265134 1042112951 /nfs/dbraw/zinc/11/29/51/1042112951.db2.gz MNSDMQTVNPQYGO-UHFFFAOYSA-N 2 1 391.481 3.785 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001237483931 1042228493 /nfs/dbraw/zinc/22/84/93/1042228493.db2.gz WFAMLUSQOFDBJT-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001237483931 1042228498 /nfs/dbraw/zinc/22/84/98/1042228498.db2.gz WFAMLUSQOFDBJT-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001237483931 1042228502 /nfs/dbraw/zinc/22/85/02/1042228502.db2.gz WFAMLUSQOFDBJT-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001237485937 1042229423 /nfs/dbraw/zinc/22/94/23/1042229423.db2.gz RJCHMQMVHRDYCH-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001237485937 1042229429 /nfs/dbraw/zinc/22/94/29/1042229429.db2.gz RJCHMQMVHRDYCH-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001237485937 1042229434 /nfs/dbraw/zinc/22/94/34/1042229434.db2.gz RJCHMQMVHRDYCH-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP COc1c(C)cccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001237502309 1042239258 /nfs/dbraw/zinc/23/92/58/1042239258.db2.gz LMTVOQDZFRDRTI-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1F ZINC001237572401 1042266278 /nfs/dbraw/zinc/26/62/78/1042266278.db2.gz SKCYTUJKDKTYMI-UHFFFAOYSA-N 2 1 388.483 3.924 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001237706825 1042334902 /nfs/dbraw/zinc/33/49/02/1042334902.db2.gz DUNJWTMKOGYHHB-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001237706825 1042334905 /nfs/dbraw/zinc/33/49/05/1042334905.db2.gz DUNJWTMKOGYHHB-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(COc2ccccc2)cc1 ZINC001237927138 1042424619 /nfs/dbraw/zinc/42/46/19/1042424619.db2.gz ZAXQXSPXKFQXNR-UHFFFAOYSA-N 2 1 384.520 3.582 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(COc2ccccc2)cc1 ZINC001237927138 1042424624 /nfs/dbraw/zinc/42/46/24/1042424624.db2.gz ZAXQXSPXKFQXNR-UHFFFAOYSA-N 2 1 384.520 3.582 20 0 GHADMP Cc1sccc1C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001237973081 1042441507 /nfs/dbraw/zinc/44/15/07/1042441507.db2.gz YIRNJXHEHSOOED-UHFFFAOYSA-N 2 1 397.588 3.613 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)ccc1C ZINC001238078796 1042483267 /nfs/dbraw/zinc/48/32/67/1042483267.db2.gz GRILIJMDTOGVPU-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1C ZINC001238078796 1042483271 /nfs/dbraw/zinc/48/32/71/1042483271.db2.gz GRILIJMDTOGVPU-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1C ZINC001238078796 1042483272 /nfs/dbraw/zinc/48/32/72/1042483272.db2.gz GRILIJMDTOGVPU-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP COc1c(C)cnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1C ZINC001238176803 1042509636 /nfs/dbraw/zinc/50/96/36/1042509636.db2.gz QPNPPHNLLBJGJF-UHFFFAOYSA-N 2 1 380.536 3.590 20 0 GHADMP COc1cc(F)ccc1-c1cncc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC001238545653 1042635597 /nfs/dbraw/zinc/63/55/97/1042635597.db2.gz DVAUNSWQSLOEAM-UHFFFAOYSA-N 2 1 392.478 3.922 20 0 GHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001238629971 1042663555 /nfs/dbraw/zinc/66/35/55/1042663555.db2.gz RCUBQSLGGPUEAF-XZOQPEGZSA-N 2 1 397.538 3.712 20 0 GHADMP CSc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001238672953 1042679087 /nfs/dbraw/zinc/67/90/87/1042679087.db2.gz HEORHESAGWXVEN-SJLPKXTDSA-N 2 1 390.984 3.749 20 0 GHADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](CCc1ccc(F)c(F)c1)CC2 ZINC001278282048 1042732308 /nfs/dbraw/zinc/73/23/08/1042732308.db2.gz PZVKILUIWHGLQB-UHFFFAOYSA-N 2 1 377.504 3.870 20 0 GHADMP CC(C)c1cccc(C(C)C)c1NC(=S)N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001239444804 1042830882 /nfs/dbraw/zinc/83/08/82/1042830882.db2.gz AYBJBOCYPPUZAU-GOSISDBHSA-N 2 1 388.625 3.985 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(-c4ccc(OC5CC[NH2+]CC5)cc4)cc3)CC2)CC1 ZINC001240590253 1042944477 /nfs/dbraw/zinc/94/44/77/1042944477.db2.gz ZNWRHGUVIFCWIE-UHFFFAOYSA-N 2 1 391.559 3.721 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256522832 1043446927 /nfs/dbraw/zinc/44/69/27/1043446927.db2.gz KDVGHYNUHSDHSK-XXBNENTESA-N 2 1 380.532 3.935 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256522832 1043446939 /nfs/dbraw/zinc/44/69/39/1043446939.db2.gz KDVGHYNUHSDHSK-XXBNENTESA-N 2 1 380.532 3.935 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC[N@@H+]1Cc1ccccc1 ZINC001256523370 1043450374 /nfs/dbraw/zinc/45/03/74/1043450374.db2.gz OMXVKBUHSSQUAO-RXVVDRJESA-N 2 1 376.504 3.922 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)CC[N@H+]1Cc1ccccc1 ZINC001256523370 1043450378 /nfs/dbraw/zinc/45/03/78/1043450378.db2.gz OMXVKBUHSSQUAO-RXVVDRJESA-N 2 1 376.504 3.922 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256524998 1043450971 /nfs/dbraw/zinc/45/09/71/1043450971.db2.gz XTGPZJBKHXMGOI-JFZIVLOISA-N 2 1 399.579 3.742 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256524998 1043450985 /nfs/dbraw/zinc/45/09/85/1043450985.db2.gz XTGPZJBKHXMGOI-JFZIVLOISA-N 2 1 399.579 3.742 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256531557 1043466687 /nfs/dbraw/zinc/46/66/87/1043466687.db2.gz TXFCXUACSWMVCI-KNQAVFIVSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256531557 1043466692 /nfs/dbraw/zinc/46/66/92/1043466692.db2.gz TXFCXUACSWMVCI-KNQAVFIVSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256531558 1043466951 /nfs/dbraw/zinc/46/69/51/1043466951.db2.gz TXFCXUACSWMVCI-SIKLNZKXSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256531558 1043466959 /nfs/dbraw/zinc/46/69/59/1043466959.db2.gz TXFCXUACSWMVCI-SIKLNZKXSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534538 1043470144 /nfs/dbraw/zinc/47/01/44/1043470144.db2.gz RXOBKBTVKOXPNL-DENIHFKCSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256534538 1043470149 /nfs/dbraw/zinc/47/01/49/1043470149.db2.gz RXOBKBTVKOXPNL-DENIHFKCSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256533934 1043470797 /nfs/dbraw/zinc/47/07/97/1043470797.db2.gz OZCOTRDXFRYWDI-HYBUGGRVSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256533934 1043470808 /nfs/dbraw/zinc/47/08/08/1043470808.db2.gz OZCOTRDXFRYWDI-HYBUGGRVSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccncc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535141 1043471819 /nfs/dbraw/zinc/47/18/19/1043471819.db2.gz DCYCHZFHZSCYQE-NZQKXSOJSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccncc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256535141 1043471838 /nfs/dbraw/zinc/47/18/38/1043471838.db2.gz DCYCHZFHZSCYQE-NZQKXSOJSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538385 1043483399 /nfs/dbraw/zinc/48/33/99/1043483399.db2.gz SRTMSMCQWOHINA-QPPBQGQZSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[N@H+](Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538385 1043483428 /nfs/dbraw/zinc/48/34/28/1043483428.db2.gz SRTMSMCQWOHINA-QPPBQGQZSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[N@@H+](Cc3ccncc3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256538385 1043483443 /nfs/dbraw/zinc/48/34/43/1043483443.db2.gz SRTMSMCQWOHINA-QPPBQGQZSA-N 2 1 378.564 3.642 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256538900 1043488516 /nfs/dbraw/zinc/48/85/16/1043488516.db2.gz VRKOWBRHQLGUQX-WMZHIEFXSA-N 2 1 379.548 3.574 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256538900 1043488535 /nfs/dbraw/zinc/48/85/35/1043488535.db2.gz VRKOWBRHQLGUQX-WMZHIEFXSA-N 2 1 379.548 3.574 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CO2 ZINC001256540768 1043489869 /nfs/dbraw/zinc/48/98/69/1043489869.db2.gz ZKHQNPQLKNORAS-UZKOGDIHSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CO2 ZINC001256540768 1043489889 /nfs/dbraw/zinc/48/98/89/1043489889.db2.gz ZKHQNPQLKNORAS-UZKOGDIHSA-N 2 1 380.532 3.889 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)c1 ZINC001256540735 1043491414 /nfs/dbraw/zinc/49/14/14/1043491414.db2.gz ZGWMMFQXLPREJX-REWPJTCUSA-N 2 1 393.575 3.998 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256544764 1043499253 /nfs/dbraw/zinc/49/92/53/1043499253.db2.gz OJRZKPNMCNXXLS-TWDDROGUSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256544764 1043499266 /nfs/dbraw/zinc/49/92/66/1043499266.db2.gz OJRZKPNMCNXXLS-TWDDROGUSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256544764 1043499292 /nfs/dbraw/zinc/49/92/92/1043499292.db2.gz OJRZKPNMCNXXLS-TWDDROGUSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256544764 1043499313 /nfs/dbraw/zinc/49/93/13/1043499313.db2.gz OJRZKPNMCNXXLS-TWDDROGUSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[N@@H+]1Cc1ccccc1 ZINC001256545486 1043503807 /nfs/dbraw/zinc/50/38/07/1043503807.db2.gz FMMREXJMCAUTFJ-DRMXPCRNSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[N@H+]1Cc1ccccc1 ZINC001256545486 1043503821 /nfs/dbraw/zinc/50/38/21/1043503821.db2.gz FMMREXJMCAUTFJ-DRMXPCRNSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[NH+]1Cc1ccccc1 ZINC001256545486 1043503836 /nfs/dbraw/zinc/50/38/36/1043503836.db2.gz FMMREXJMCAUTFJ-DRMXPCRNSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)CC[NH+]1Cc1ccccc1 ZINC001256545486 1043503851 /nfs/dbraw/zinc/50/38/51/1043503851.db2.gz FMMREXJMCAUTFJ-DRMXPCRNSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@H]1C[C@H](N(c2ncccc2F)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552772 1043518343 /nfs/dbraw/zinc/51/83/43/1043518343.db2.gz CZMWKZVTMLLSJU-GHTZIAJQSA-N 2 1 382.527 3.832 20 0 GHADMP CC[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552903 1043518437 /nfs/dbraw/zinc/51/84/37/1043518437.db2.gz CZTUUGRTJKLPAH-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552903 1043518448 /nfs/dbraw/zinc/51/84/48/1043518448.db2.gz CZTUUGRTJKLPAH-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552903 1043518455 /nfs/dbraw/zinc/51/84/55/1043518455.db2.gz CZTUUGRTJKLPAH-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP CC[NH+](CCNC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552903 1043518465 /nfs/dbraw/zinc/51/84/65/1043518465.db2.gz CZTUUGRTJKLPAH-ICSRJNTNSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256555430 1043525452 /nfs/dbraw/zinc/52/54/52/1043525452.db2.gz UYPGUKYREQWDEF-OCFYOKIWSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256555430 1043525457 /nfs/dbraw/zinc/52/54/57/1043525457.db2.gz UYPGUKYREQWDEF-OCFYOKIWSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555430 1043525460 /nfs/dbraw/zinc/52/54/60/1043525460.db2.gz UYPGUKYREQWDEF-OCFYOKIWSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555430 1043525466 /nfs/dbraw/zinc/52/54/66/1043525466.db2.gz UYPGUKYREQWDEF-OCFYOKIWSA-N 2 1 375.560 3.998 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC001256558991 1043532422 /nfs/dbraw/zinc/53/24/22/1043532422.db2.gz XKBRXMREOQMGJG-PZJWPPBQSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC001256558991 1043532437 /nfs/dbraw/zinc/53/24/37/1043532437.db2.gz XKBRXMREOQMGJG-PZJWPPBQSA-N 2 1 380.536 3.681 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559531 1043534594 /nfs/dbraw/zinc/53/45/94/1043534594.db2.gz LSFIVWQIQPXMEW-GFOJFJKKSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256559531 1043534598 /nfs/dbraw/zinc/53/45/98/1043534598.db2.gz LSFIVWQIQPXMEW-GFOJFJKKSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559531 1043534613 /nfs/dbraw/zinc/53/46/13/1043534613.db2.gz LSFIVWQIQPXMEW-GFOJFJKKSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559531 1043534620 /nfs/dbraw/zinc/53/46/20/1043534620.db2.gz LSFIVWQIQPXMEW-GFOJFJKKSA-N 2 1 385.552 3.591 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1OCC1CCOCC1 ZINC001256567313 1043541062 /nfs/dbraw/zinc/54/10/62/1043541062.db2.gz UBVKVEDBIWGCPJ-UHFFFAOYSA-N 2 1 390.568 3.853 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC1 ZINC001256571113 1043544510 /nfs/dbraw/zinc/54/45/10/1043544510.db2.gz CKNBGIMMHZDPKG-JOCHJYFZSA-N 2 1 391.506 3.657 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256595551 1043561886 /nfs/dbraw/zinc/56/18/86/1043561886.db2.gz GJLUXJMSSVHADC-JBACZVJFSA-N 2 1 385.552 3.639 20 0 GHADMP O=C(c1cccc(F)c1)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256600829 1043564533 /nfs/dbraw/zinc/56/45/33/1043564533.db2.gz MAAUXEHJTFIYRO-UHFFFAOYSA-N 2 1 395.522 3.685 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608886 1043573698 /nfs/dbraw/zinc/57/36/98/1043573698.db2.gz IXSMBCWPKXCQMB-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256608886 1043573706 /nfs/dbraw/zinc/57/37/06/1043573706.db2.gz IXSMBCWPKXCQMB-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256695290 1043627448 /nfs/dbraw/zinc/62/74/48/1043627448.db2.gz UOIPAFMHHSGNAT-UHFFFAOYSA-N 3 1 385.596 3.616 20 0 GHADMP C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855904 1043705008 /nfs/dbraw/zinc/70/50/08/1043705008.db2.gz ZKSMYHGAGQGJBS-QZTJIDSGSA-N 2 1 388.556 3.676 20 0 GHADMP Brc1ccc2c(c1)C[N@H+](C1CCN(c3cc[nH+]cc3)CC1)CCO2 ZINC001256865525 1043710338 /nfs/dbraw/zinc/71/03/38/1043710338.db2.gz IFMALTYSVKPBCK-UHFFFAOYSA-N 2 1 388.309 3.708 20 0 GHADMP Brc1ccc2c(c1)C[N@@H+](C1CCN(c3cc[nH+]cc3)CC1)CCO2 ZINC001256865525 1043710347 /nfs/dbraw/zinc/71/03/47/1043710347.db2.gz IFMALTYSVKPBCK-UHFFFAOYSA-N 2 1 388.309 3.708 20 0 GHADMP CCOC(=O)C1([N@H+](Cc2ccccc2)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865620 1043710927 /nfs/dbraw/zinc/71/09/27/1043710927.db2.gz NNONDDVBJSCDCY-UHFFFAOYSA-N 2 1 379.504 3.648 20 0 GHADMP CCOC(=O)C1([N@@H+](Cc2ccccc2)C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256865620 1043710937 /nfs/dbraw/zinc/71/09/37/1043710937.db2.gz NNONDDVBJSCDCY-UHFFFAOYSA-N 2 1 379.504 3.648 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCO1 ZINC001256925250 1043754505 /nfs/dbraw/zinc/75/45/05/1043754505.db2.gz FTMFZTKFJCLQNR-DDJHWDJXSA-N 3 1 393.575 3.660 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCO1 ZINC001256925250 1043754525 /nfs/dbraw/zinc/75/45/25/1043754525.db2.gz FTMFZTKFJCLQNR-DDJHWDJXSA-N 3 1 393.575 3.660 20 0 GHADMP CCC(CC)[NH+]1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001257297720 1043960656 /nfs/dbraw/zinc/96/06/56/1043960656.db2.gz AIRPKLHEDJBRNX-HXUWFJFHSA-N 2 1 397.607 3.860 20 0 GHADMP C[NH+]1CCN(C(=O)C[C@@H]2CC3(CC[NH+](C4CCCC4)CC3)c3ccccc32)CC1 ZINC001257350968 1043969601 /nfs/dbraw/zinc/96/96/01/1043969601.db2.gz JLIKUGNWDTVWPB-HXUWFJFHSA-N 2 1 395.591 3.614 20 0 GHADMP c1ccc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C2CCCCC2)C3)nc1 ZINC001257455955 1044004187 /nfs/dbraw/zinc/00/41/87/1044004187.db2.gz OYNGROLMNJHFNX-XUZZJYLKSA-N 2 1 383.580 3.965 20 0 GHADMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C2CCCCC2)C3)nc1 ZINC001257455955 1044004197 /nfs/dbraw/zinc/00/41/97/1044004197.db2.gz OYNGROLMNJHFNX-XUZZJYLKSA-N 2 1 383.580 3.965 20 0 GHADMP c1ccc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C2CCCCC2)C3)nc1 ZINC001257455955 1044004207 /nfs/dbraw/zinc/00/42/07/1044004207.db2.gz OYNGROLMNJHFNX-XUZZJYLKSA-N 2 1 383.580 3.965 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)o1 ZINC001279031360 1044093582 /nfs/dbraw/zinc/09/35/82/1044093582.db2.gz UAOWELLHAITAKP-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)o1 ZINC001279031360 1044093598 /nfs/dbraw/zinc/09/35/98/1044093598.db2.gz UAOWELLHAITAKP-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001293470546 1044198899 /nfs/dbraw/zinc/19/88/99/1044198899.db2.gz OADOTRLCOXCCMX-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001293470546 1044198907 /nfs/dbraw/zinc/19/89/07/1044198907.db2.gz OADOTRLCOXCCMX-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC001293470546 1044198913 /nfs/dbraw/zinc/19/89/13/1044198913.db2.gz OADOTRLCOXCCMX-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC001293470546 1044198921 /nfs/dbraw/zinc/19/89/21/1044198921.db2.gz OADOTRLCOXCCMX-AUSIDOKSSA-N 2 1 397.538 3.817 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001293627084 1044271250 /nfs/dbraw/zinc/27/12/50/1044271250.db2.gz VDTWNSKHYLYDIN-NRFANRHFSA-N 2 1 376.504 3.685 20 0 GHADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257960033 1044277625 /nfs/dbraw/zinc/27/76/25/1044277625.db2.gz PUPGCJWOQDFMAZ-JAXLGGSGSA-N 2 1 386.923 3.523 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257960033 1044277629 /nfs/dbraw/zinc/27/76/29/1044277629.db2.gz PUPGCJWOQDFMAZ-JAXLGGSGSA-N 2 1 386.923 3.523 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC001293678020 1044291021 /nfs/dbraw/zinc/29/10/21/1044291021.db2.gz QUCYNCUAPJZKAH-GHTZIAJQSA-N 2 1 383.536 3.648 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC001293678020 1044291034 /nfs/dbraw/zinc/29/10/34/1044291034.db2.gz QUCYNCUAPJZKAH-GHTZIAJQSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+](C3CC[NH+](CC(C)C)CC3)C2)C1=O ZINC001258014298 1044342438 /nfs/dbraw/zinc/34/24/38/1044342438.db2.gz FLMHNTVTFJOOMR-XMMPIXPASA-N 2 1 383.580 3.753 20 0 GHADMP C[NH+](C)CCCCC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC001294072933 1044456902 /nfs/dbraw/zinc/45/69/02/1044456902.db2.gz RMNJIPZTYNOHEU-LJQANCHMSA-N 2 1 399.501 3.631 20 0 GHADMP CSC(C)(C)C[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258343328 1044518498 /nfs/dbraw/zinc/51/84/98/1044518498.db2.gz XHGZEWDUTZKNGM-DFQSSKMNSA-N 2 1 377.598 3.525 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001258393602 1044531618 /nfs/dbraw/zinc/53/16/18/1044531618.db2.gz XDPPSGMULDCBQE-OYDLWJJNSA-N 2 1 399.623 3.945 20 0 GHADMP CSc1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c(Cl)n1 ZINC001279100429 1044566324 /nfs/dbraw/zinc/56/63/24/1044566324.db2.gz OAQSDFLXGFJDEV-GASCZTMLSA-N 2 1 391.972 3.524 20 0 GHADMP CSc1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c(Cl)n1 ZINC001279100429 1044566334 /nfs/dbraw/zinc/56/63/34/1044566334.db2.gz OAQSDFLXGFJDEV-GASCZTMLSA-N 2 1 391.972 3.524 20 0 GHADMP CSc1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c(Cl)n1 ZINC001279100429 1044566354 /nfs/dbraw/zinc/56/63/54/1044566354.db2.gz OAQSDFLXGFJDEV-GASCZTMLSA-N 2 1 391.972 3.524 20 0 GHADMP CCC[NH+]1CCC(n2cc(C[C@H]([NH3+])C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001258769337 1044754781 /nfs/dbraw/zinc/75/47/81/1044754781.db2.gz MZRNJZLTRPPCIJ-FQEVSTJZSA-N 2 1 385.552 3.900 20 0 GHADMP CCC[NH+]1CCC(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001258775742 1044758351 /nfs/dbraw/zinc/75/83/51/1044758351.db2.gz BZYZWZSFYZWRRW-UHFFFAOYSA-N 2 1 385.474 3.577 20 0 GHADMP CCC[NH+]1CCC(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001258774830 1044758387 /nfs/dbraw/zinc/75/83/87/1044758387.db2.gz QCDBSWITKZJMFM-UHFFFAOYSA-N 2 1 382.552 3.539 20 0 GHADMP CCC[NH+]1CCC(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001258774830 1044758400 /nfs/dbraw/zinc/75/84/00/1044758400.db2.gz QCDBSWITKZJMFM-UHFFFAOYSA-N 2 1 382.552 3.539 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001258823550 1044774751 /nfs/dbraw/zinc/77/47/51/1044774751.db2.gz LYYAAQIHBJXNNM-OFNKIYASSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)c2ccc(C[NH+]3CCCC3)o2)C[N@H+]1Cc1ccccc1 ZINC001295144499 1044931275 /nfs/dbraw/zinc/93/12/75/1044931275.db2.gz ZOWGGAFFCUPQCA-FPOVZHCZSA-N 2 1 395.547 3.906 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001295376479 1044992512 /nfs/dbraw/zinc/99/25/12/1044992512.db2.gz NHSDZRPBDHDXLY-GUDVDZBRSA-N 2 1 390.620 3.585 20 0 GHADMP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC001296530343 1045333228 /nfs/dbraw/zinc/33/32/28/1045333228.db2.gz PUAFLSGELDQDNG-OAHLLOKOSA-N 2 1 382.346 3.571 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC001296530343 1045333234 /nfs/dbraw/zinc/33/32/34/1045333234.db2.gz PUAFLSGELDQDNG-OAHLLOKOSA-N 2 1 382.346 3.571 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC001298317932 1045772080 /nfs/dbraw/zinc/77/20/80/1045772080.db2.gz FQYKVYODATUGCK-REWPJTCUSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)c1 ZINC001298317932 1045772090 /nfs/dbraw/zinc/77/20/90/1045772090.db2.gz FQYKVYODATUGCK-REWPJTCUSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)c1 ZINC001298317932 1045772102 /nfs/dbraw/zinc/77/21/02/1045772102.db2.gz FQYKVYODATUGCK-REWPJTCUSA-N 2 1 383.580 3.682 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cccc(C[NH+]2CCCCC2)c1 ZINC001301234964 1046421370 /nfs/dbraw/zinc/42/13/70/1046421370.db2.gz ZMRBOSDSOGWOQZ-HSZRJFAPSA-N 2 1 377.532 3.677 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ncoc2C2CC[NH2+]CC2)c1 ZINC001263103447 1046560296 /nfs/dbraw/zinc/56/02/96/1046560296.db2.gz ZGGBEMVZRFRFDR-UHFFFAOYSA-N 2 1 398.551 3.694 20 0 GHADMP CC(C)(C(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1)[C@H]([NH3+])c1ccccc1 ZINC001263186626 1046627222 /nfs/dbraw/zinc/62/72/22/1046627222.db2.gz JMZDVTIHKCNWDP-HXUWFJFHSA-N 2 1 391.519 3.695 20 0 GHADMP CC(C)[N@@H+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001303266991 1047331443 /nfs/dbraw/zinc/33/14/43/1047331443.db2.gz XCTGRRXXVNZKFO-UHFFFAOYSA-N 2 1 392.636 3.518 20 0 GHADMP CC(C)[NH+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001303266991 1047331454 /nfs/dbraw/zinc/33/14/54/1047331454.db2.gz XCTGRRXXVNZKFO-UHFFFAOYSA-N 2 1 392.636 3.518 20 0 GHADMP CC(C)[NH+](C)CCCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001303266991 1047331469 /nfs/dbraw/zinc/33/14/69/1047331469.db2.gz XCTGRRXXVNZKFO-UHFFFAOYSA-N 2 1 392.636 3.518 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC001265539919 1047627611 /nfs/dbraw/zinc/62/76/11/1047627611.db2.gz XODLGIQUPDPGTD-UHFFFAOYSA-N 2 1 381.564 3.925 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4sccc4Cl)C[C@H]3CC2)n(C)n1 ZINC001279373224 1047785288 /nfs/dbraw/zinc/78/52/88/1047785288.db2.gz XCPLQWXZCHPBQD-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4sccc4Cl)C[C@H]3CC2)n(C)n1 ZINC001279373224 1047785291 /nfs/dbraw/zinc/78/52/91/1047785291.db2.gz XCPLQWXZCHPBQD-IYBDPMFKSA-N 2 1 378.973 3.787 20 0 GHADMP Clc1csc(C[NH+]2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001279576651 1047844363 /nfs/dbraw/zinc/84/43/63/1047844363.db2.gz BSBHKFZEAYUZKZ-UHFFFAOYSA-N 2 1 378.973 3.976 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579441 1047848183 /nfs/dbraw/zinc/84/81/83/1047848183.db2.gz LUBRORKZHVHJFP-CUXKYVRBSA-N 2 1 375.988 3.649 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579441 1047848205 /nfs/dbraw/zinc/84/82/05/1047848205.db2.gz LUBRORKZHVHJFP-CUXKYVRBSA-N 2 1 375.988 3.649 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579441 1047848223 /nfs/dbraw/zinc/84/82/23/1047848223.db2.gz LUBRORKZHVHJFP-CUXKYVRBSA-N 2 1 375.988 3.649 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579441 1047848246 /nfs/dbraw/zinc/84/82/46/1047848246.db2.gz LUBRORKZHVHJFP-CUXKYVRBSA-N 2 1 375.988 3.649 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579441 1047848257 /nfs/dbraw/zinc/84/82/57/1047848257.db2.gz LUBRORKZHVHJFP-CUXKYVRBSA-N 2 1 375.988 3.649 20 0 GHADMP CCc1csc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4scnc4C)CC[C@@H]3C2)n1 ZINC001279607896 1047866284 /nfs/dbraw/zinc/86/62/84/1047866284.db2.gz MRGLHSPFJLIWGV-IYBDPMFKSA-N 2 1 376.595 3.814 20 0 GHADMP CCc1csc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4scnc4C)CC[C@@H]3C2)n1 ZINC001279607896 1047866291 /nfs/dbraw/zinc/86/62/91/1047866291.db2.gz MRGLHSPFJLIWGV-IYBDPMFKSA-N 2 1 376.595 3.814 20 0 GHADMP CCc1csc(C[NH+]2C[C@@H]3CC[N@H+](Cc4scnc4C)CC[C@@H]3C2)n1 ZINC001279607896 1047866302 /nfs/dbraw/zinc/86/63/02/1047866302.db2.gz MRGLHSPFJLIWGV-IYBDPMFKSA-N 2 1 376.595 3.814 20 0 GHADMP FC(F)(F)CCC[NH+]1CC2(C1)CC[NH+](Cc1nc(C(F)(F)F)c[nH]1)CC2 ZINC001279639798 1047884749 /nfs/dbraw/zinc/88/47/49/1047884749.db2.gz BBGKMYAEKZNKBD-UHFFFAOYSA-N 2 1 384.368 3.669 20 0 GHADMP Cc1cc(CN2CCC[C@]3(CCC[N@@H+](CC4CCSCC4)C3)C2)n(C)n1 ZINC001279644001 1047888862 /nfs/dbraw/zinc/88/88/62/1047888862.db2.gz FTUTVJXIJZLLQK-NRFANRHFSA-N 2 1 376.614 3.550 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3cccc(C)c3Cl)CC2)C1 ZINC001279670980 1047908797 /nfs/dbraw/zinc/90/87/97/1047908797.db2.gz JEGZFAANGQBXAG-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3cccc(C)c3Cl)CC2)C1 ZINC001279670980 1047908800 /nfs/dbraw/zinc/90/88/00/1047908800.db2.gz JEGZFAANGQBXAG-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(Br)cccc3OC(F)F)C[C@H]2CC1 ZINC001279702519 1047923832 /nfs/dbraw/zinc/92/38/32/1047923832.db2.gz UUEKCMRBIILPQT-BETUJISGSA-N 2 1 389.284 3.824 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(Br)cccc3OC(F)F)C[C@H]2CC1 ZINC001279702519 1047923840 /nfs/dbraw/zinc/92/38/40/1047923840.db2.gz UUEKCMRBIILPQT-BETUJISGSA-N 2 1 389.284 3.824 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3c(Br)cccc3OC(F)F)C[C@H]2CC1 ZINC001279702519 1047923847 /nfs/dbraw/zinc/92/38/47/1047923847.db2.gz UUEKCMRBIILPQT-BETUJISGSA-N 2 1 389.284 3.824 20 0 GHADMP Brc1cscc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279708132 1047926839 /nfs/dbraw/zinc/92/68/39/1047926839.db2.gz NNSDLSJFCFPIHE-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1cscc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279708132 1047926843 /nfs/dbraw/zinc/92/68/43/1047926843.db2.gz NNSDLSJFCFPIHE-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1cscc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279708132 1047926845 /nfs/dbraw/zinc/92/68/45/1047926845.db2.gz NNSDLSJFCFPIHE-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP COc1ccc(Br)c(OC)c1CN1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279770265 1047945853 /nfs/dbraw/zinc/94/58/53/1047945853.db2.gz AFAKSDZMVMBNHT-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP COc1ccc(Br)c(OC)c1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001279770265 1047945857 /nfs/dbraw/zinc/94/58/57/1047945857.db2.gz AFAKSDZMVMBNHT-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP COc1ccc(Br)c(OC)c1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279770265 1047945859 /nfs/dbraw/zinc/94/58/59/1047945859.db2.gz AFAKSDZMVMBNHT-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP CSc1cc(C)cc(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001280168080 1048112822 /nfs/dbraw/zinc/11/28/22/1048112822.db2.gz PUMUIHATQUPPJV-UHFFFAOYSA-N 2 1 375.626 3.957 20 0 GHADMP CSc1cc(C)cc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)c1 ZINC001280168080 1048112828 /nfs/dbraw/zinc/11/28/28/1048112828.db2.gz PUMUIHATQUPPJV-UHFFFAOYSA-N 2 1 375.626 3.957 20 0 GHADMP COc1cc(F)c(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)cc1Cl ZINC001280234559 1048139935 /nfs/dbraw/zinc/13/99/35/1048139935.db2.gz STJWNAOHHIAUQW-UXHICEINSA-N 2 1 383.939 3.574 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001306237425 1048521196 /nfs/dbraw/zinc/52/11/96/1048521196.db2.gz UOJITFRLERQKKG-XPWALMASSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001306237425 1048521204 /nfs/dbraw/zinc/52/12/04/1048521204.db2.gz UOJITFRLERQKKG-XPWALMASSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001306237425 1048521215 /nfs/dbraw/zinc/52/12/15/1048521215.db2.gz UOJITFRLERQKKG-XPWALMASSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001307508313 1049350590 /nfs/dbraw/zinc/35/05/90/1049350590.db2.gz SSZXKASWPVWSKI-IFMALSPDSA-N 2 1 385.596 3.773 20 0 GHADMP C[C@H]1CCC[C@H](C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC001307508316 1049351064 /nfs/dbraw/zinc/35/10/64/1049351064.db2.gz SSZXKASWPVWSKI-UNMCSNQZSA-N 2 1 385.596 3.773 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCCC[C@H]1C ZINC001307683754 1049503273 /nfs/dbraw/zinc/50/32/73/1049503273.db2.gz KANZFQHUTJDKAS-KNQAVFIVSA-N 2 1 386.584 3.668 20 0 GHADMP CC1(C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1OCc1ccccc1 ZINC001307776886 1049584619 /nfs/dbraw/zinc/58/46/19/1049584619.db2.gz BUBVWMIHWSXEIF-ZEQRLZLVSA-N 2 1 394.559 3.992 20 0 GHADMP CN(CCC[N@H+](C)Cc1oc2ccccc2c1Br)CC[NH+](C)C ZINC001307820996 1049615489 /nfs/dbraw/zinc/61/54/89/1049615489.db2.gz NHQINXURWCQMAA-UHFFFAOYSA-N 2 1 382.346 3.511 20 0 GHADMP CN(CCC[N@@H+](C)Cc1oc2ccccc2c1Br)CC[NH+](C)C ZINC001307820996 1049615492 /nfs/dbraw/zinc/61/54/92/1049615492.db2.gz NHQINXURWCQMAA-UHFFFAOYSA-N 2 1 382.346 3.511 20 0 GHADMP O[C@H](C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1)CC1(O)CCCCC1 ZINC001308113146 1049857883 /nfs/dbraw/zinc/85/78/83/1049857883.db2.gz PEBOLXMFMLGIKD-QFIPXVFZSA-N 2 1 386.580 3.520 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCOCC1 ZINC001308194273 1049907857 /nfs/dbraw/zinc/90/78/57/1049907857.db2.gz ILMGNZUKQXWFPN-QDSKXPNFSA-N 2 1 387.612 3.766 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCOCC1 ZINC001308194273 1049907861 /nfs/dbraw/zinc/90/78/61/1049907861.db2.gz ILMGNZUKQXWFPN-QDSKXPNFSA-N 2 1 387.612 3.766 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)c1 ZINC001308245225 1049924787 /nfs/dbraw/zinc/92/47/87/1049924787.db2.gz UTGQQCCJZQORSG-UHFFFAOYSA-N 2 1 395.478 3.667 20 0 GHADMP CCc1cccc(NC(=O)CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC001308829976 1050112594 /nfs/dbraw/zinc/11/25/94/1050112594.db2.gz YZJCFVQDYCUBFM-WWNPGLIZSA-N 2 1 377.532 3.830 20 0 GHADMP CCc1cccc(NC(=O)C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC001308829976 1050112600 /nfs/dbraw/zinc/11/26/00/1050112600.db2.gz YZJCFVQDYCUBFM-WWNPGLIZSA-N 2 1 377.532 3.830 20 0 GHADMP CCc1cccc(NC(=O)C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC001308829976 1050112608 /nfs/dbraw/zinc/11/26/08/1050112608.db2.gz YZJCFVQDYCUBFM-WWNPGLIZSA-N 2 1 377.532 3.830 20 0 GHADMP CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)NCc1cccs1 ZINC001308834527 1050114346 /nfs/dbraw/zinc/11/43/46/1050114346.db2.gz FYZXQMXSWXQRPW-CUXKYVRBSA-N 2 1 397.588 3.786 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(C)(C)c2ccc(Br)cc2)CCO1 ZINC001308881172 1050137160 /nfs/dbraw/zinc/13/71/60/1050137160.db2.gz QRSYDDRZGVDFBF-GOSISDBHSA-N 2 1 383.374 3.769 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)CC1 ZINC001308913544 1050162829 /nfs/dbraw/zinc/16/28/29/1050162829.db2.gz RYLLVZPTOMLKTR-JOCHJYFZSA-N 2 1 381.605 3.981 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C[C@@H]1C ZINC001308919844 1050169796 /nfs/dbraw/zinc/16/97/96/1050169796.db2.gz SXXCKFZVEWNMQU-XODARUQUSA-N 2 1 385.552 3.751 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001330157010 1050967898 /nfs/dbraw/zinc/96/78/98/1050967898.db2.gz OHWMNDRAUPBPOI-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001330157010 1050967910 /nfs/dbraw/zinc/96/79/10/1050967910.db2.gz OHWMNDRAUPBPOI-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001330157010 1050967914 /nfs/dbraw/zinc/96/79/14/1050967914.db2.gz OHWMNDRAUPBPOI-FRIKZZABSA-N 2 1 386.584 3.603 20 0 GHADMP CC(C)(C)OC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001331059490 1051181001 /nfs/dbraw/zinc/18/10/01/1051181001.db2.gz SSIYVUSCEJIKDH-FQEVSTJZSA-N 2 1 389.540 3.767 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001311443915 1052155330 /nfs/dbraw/zinc/15/53/30/1052155330.db2.gz HYIUTXDBJGWLIS-WOJBJXKFSA-N 2 1 394.563 3.553 20 0 GHADMP CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC001311496303 1052202380 /nfs/dbraw/zinc/20/23/80/1052202380.db2.gz LHEKDNOCUXCMGP-PMACEKPBSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001311715314 1052352036 /nfs/dbraw/zinc/35/20/36/1052352036.db2.gz VLXVMAWVFBUOLN-UNMCSNQZSA-N 2 1 386.584 3.729 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CC1 ZINC001312558494 1052791480 /nfs/dbraw/zinc/79/14/80/1052791480.db2.gz HWKJVAREUNBGCN-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001313178892 1052978573 /nfs/dbraw/zinc/97/85/73/1052978573.db2.gz GABCQMNJERNXNU-SNIUIWFXSA-N 2 1 386.584 3.554 20 0 GHADMP CN(C(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC001313246136 1052995426 /nfs/dbraw/zinc/99/54/26/1052995426.db2.gz DYTAEPYVRLUHOY-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001343228778 1053634476 /nfs/dbraw/zinc/63/44/76/1053634476.db2.gz YNUQBDYTADTGIX-TUACAJSNSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ncoc3C3CC[NH2+]CC3)cc2)C1 ZINC001343372832 1053732689 /nfs/dbraw/zinc/73/26/89/1053732689.db2.gz ZQPDQKSYLITKJL-INIZCTEOSA-N 2 1 382.508 3.626 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001344535833 1054550662 /nfs/dbraw/zinc/55/06/62/1054550662.db2.gz SYQKVBDXGIVLJF-DNQXCXABSA-N 2 1 392.591 3.953 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCN1Cc1ccncc1 ZINC001318313077 1054559923 /nfs/dbraw/zinc/55/99/23/1054559923.db2.gz JJMCIBSIFCPSHA-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001318313077 1054559936 /nfs/dbraw/zinc/55/99/36/1054559936.db2.gz JJMCIBSIFCPSHA-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001318313077 1054559949 /nfs/dbraw/zinc/55/99/49/1054559949.db2.gz JJMCIBSIFCPSHA-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318313077 1054559962 /nfs/dbraw/zinc/55/99/62/1054559962.db2.gz JJMCIBSIFCPSHA-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318313077 1054559977 /nfs/dbraw/zinc/55/99/77/1054559977.db2.gz JJMCIBSIFCPSHA-QHCPKHFHSA-N 2 1 394.563 3.593 20 0 GHADMP O=C(Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1)[C@H]1CCCCC12CC[NH2+]CC2 ZINC001344614605 1054598852 /nfs/dbraw/zinc/59/88/52/1054598852.db2.gz SHZVJICUWPTGER-GOSISDBHSA-N 2 1 395.551 3.528 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001318474532 1054663984 /nfs/dbraw/zinc/66/39/84/1054663984.db2.gz ZBJDUOMUCFTDGM-PKTZIBPZSA-N 2 1 398.595 3.551 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001318474532 1054663990 /nfs/dbraw/zinc/66/39/90/1054663990.db2.gz ZBJDUOMUCFTDGM-PKTZIBPZSA-N 2 1 398.595 3.551 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001318701263 1054805175 /nfs/dbraw/zinc/80/51/75/1054805175.db2.gz PKPZQUWTNRJCDS-STZQEDGTSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CC1 ZINC001319183910 1055085580 /nfs/dbraw/zinc/08/55/80/1055085580.db2.gz OTCOJRBVXJKZTE-HMXCVIKNSA-N 2 1 378.605 3.545 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001320176865 1055692716 /nfs/dbraw/zinc/69/27/16/1055692716.db2.gz NLLJMHVGWUMJDO-FCHUYYIVSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccc(F)cc1 ZINC001320176865 1055692719 /nfs/dbraw/zinc/69/27/19/1055692719.db2.gz NLLJMHVGWUMJDO-FCHUYYIVSA-N 2 1 381.495 3.597 20 0 GHADMP C[S@](=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001323319136 1056952666 /nfs/dbraw/zinc/95/26/66/1056952666.db2.gz VISPFJYSRQSBKS-MHZLTWQESA-N 2 1 382.573 3.912 20 0 GHADMP Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccc2c[nH+]cn21 ZINC001323657297 1056996164 /nfs/dbraw/zinc/99/61/64/1056996164.db2.gz YHEFUSJBFFFMLC-HXUWFJFHSA-N 2 1 382.895 3.863 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000848521315 1057146146 /nfs/dbraw/zinc/14/61/46/1057146146.db2.gz MPUKZRMEAJOAGD-MSOLQXFVSA-N 2 1 385.512 3.501 20 0 GHADMP O=C1COc2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2N1 ZINC001324555792 1057163575 /nfs/dbraw/zinc/16/35/75/1057163575.db2.gz VAGRLATZQJXXQK-SEJPIABJSA-N 2 1 391.515 3.693 20 0 GHADMP O=C1COc2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2N1 ZINC001324555792 1057163578 /nfs/dbraw/zinc/16/35/78/1057163578.db2.gz VAGRLATZQJXXQK-SEJPIABJSA-N 2 1 391.515 3.693 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001324703801 1057207605 /nfs/dbraw/zinc/20/76/05/1057207605.db2.gz BPLMSETVHSBXPF-HMXCVIKNSA-N 2 1 377.523 3.606 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001324737130 1057215950 /nfs/dbraw/zinc/21/59/50/1057215950.db2.gz QQXYXOSBBLOQEF-WVUPVLJSSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001324737130 1057215954 /nfs/dbraw/zinc/21/59/54/1057215954.db2.gz QQXYXOSBBLOQEF-WVUPVLJSSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001324737130 1057215958 /nfs/dbraw/zinc/21/59/58/1057215958.db2.gz QQXYXOSBBLOQEF-WVUPVLJSSA-N 2 1 398.595 3.696 20 0 GHADMP Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc2c[nH+]cn21 ZINC001325037431 1057267932 /nfs/dbraw/zinc/26/79/32/1057267932.db2.gz BYGFYVHJLXITAH-SEJPIABJSA-N 2 1 388.515 3.958 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001326227290 1057437707 /nfs/dbraw/zinc/43/77/07/1057437707.db2.gz JRRDPZOSRYGKII-IFMALSPDSA-N 2 1 383.580 3.588 20 0 GHADMP Clc1ccc(OC[C@H]2CCCO2)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327006032 1057584973 /nfs/dbraw/zinc/58/49/73/1057584973.db2.gz UMYTZNICVANLGD-LJQANCHMSA-N 2 1 378.944 3.863 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000849085471 1057587955 /nfs/dbraw/zinc/58/79/55/1057587955.db2.gz NVAPSULJEQRGHH-IBGZPJMESA-N 2 1 396.535 3.942 20 0 GHADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000849091386 1057591264 /nfs/dbraw/zinc/59/12/64/1057591264.db2.gz BLUQUADMDFMKDC-FPOVZHCZSA-N 2 1 378.520 3.536 20 0 GHADMP COc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)cc1 ZINC001440374469 1058506269 /nfs/dbraw/zinc/50/62/69/1058506269.db2.gz ODKDVNHSRUEERN-DHIUTWEWSA-N 2 1 399.579 3.745 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440647035 1058556619 /nfs/dbraw/zinc/55/66/19/1058556619.db2.gz OYNBTPQBLGMLFQ-HSZRJFAPSA-N 2 1 379.548 3.604 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001440647035 1058556634 /nfs/dbraw/zinc/55/66/34/1058556634.db2.gz OYNBTPQBLGMLFQ-HSZRJFAPSA-N 2 1 379.548 3.604 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001442260617 1058940704 /nfs/dbraw/zinc/94/07/04/1058940704.db2.gz SZEBGYWXVLFFNV-XPNTWCBSSA-N 2 1 399.623 3.814 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001442715596 1058997446 /nfs/dbraw/zinc/99/74/46/1058997446.db2.gz BCAHQOHOIMYYHN-UHFFFAOYSA-N 2 1 379.976 3.885 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1[NH2+]CC12CCCC2 ZINC001339769197 1059455523 /nfs/dbraw/zinc/45/55/23/1059455523.db2.gz UYVOTJSWPFGBCA-SFHVURJKSA-N 2 1 396.362 3.606 20 0 GHADMP C[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001445084662 1059458439 /nfs/dbraw/zinc/45/84/39/1059458439.db2.gz JHVOLPNESMEBMF-HRAATJIYSA-N 2 1 385.939 3.506 20 0 GHADMP C[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001445084662 1059458450 /nfs/dbraw/zinc/45/84/50/1059458450.db2.gz JHVOLPNESMEBMF-HRAATJIYSA-N 2 1 385.939 3.506 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001446719784 1059839373 /nfs/dbraw/zinc/83/93/73/1059839373.db2.gz ZAHIKZIJQLPEBM-BVAFDOMYSA-N 2 1 383.580 3.524 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)C1CCCCC1 ZINC001340774944 1060115134 /nfs/dbraw/zinc/11/51/34/1060115134.db2.gz WMGJZKKSSPSDCT-SXSPYAJSSA-N 2 1 399.579 3.937 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+])C1CCCCC1 ZINC001340774815 1060115159 /nfs/dbraw/zinc/11/51/59/1060115159.db2.gz VWFFLRXGILPRHV-SFHVURJKSA-N 2 1 381.524 3.694 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001449231207 1060359600 /nfs/dbraw/zinc/35/96/00/1060359600.db2.gz VSTAPUTZSMGLSA-JOCHJYFZSA-N 2 1 383.536 3.615 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001449231207 1060359618 /nfs/dbraw/zinc/35/96/18/1060359618.db2.gz VSTAPUTZSMGLSA-JOCHJYFZSA-N 2 1 383.536 3.615 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001449231207 1060359627 /nfs/dbraw/zinc/35/96/27/1060359627.db2.gz VSTAPUTZSMGLSA-JOCHJYFZSA-N 2 1 383.536 3.615 20 0 GHADMP CCC[N@H+](C)[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccc(Cl)cc1 ZINC001449266620 1060369076 /nfs/dbraw/zinc/36/90/76/1060369076.db2.gz RBMHLWZVPPKZRR-GOSISDBHSA-N 2 1 376.932 3.859 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccc(Cl)cc1 ZINC001449266620 1060369095 /nfs/dbraw/zinc/36/90/95/1060369095.db2.gz RBMHLWZVPPKZRR-GOSISDBHSA-N 2 1 376.932 3.859 20 0 GHADMP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001454545328 1061830276 /nfs/dbraw/zinc/83/02/76/1061830276.db2.gz ZRJRFQLIFUGGRJ-JTOWHCCKSA-N 2 1 385.474 3.686 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC001347157644 1062171067 /nfs/dbraw/zinc/17/10/67/1062171067.db2.gz PDMRUYZRHBAJBU-XZOQPEGZSA-N 2 1 393.531 3.649 20 0 GHADMP C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC001455812288 1062303836 /nfs/dbraw/zinc/30/38/36/1062303836.db2.gz VRQVMXSZUKKMHN-QHCPKHFHSA-N 2 1 393.531 3.763 20 0 GHADMP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC001455812288 1062303865 /nfs/dbraw/zinc/30/38/65/1062303865.db2.gz VRQVMXSZUKKMHN-QHCPKHFHSA-N 2 1 393.531 3.763 20 0 GHADMP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC001455812288 1062303894 /nfs/dbraw/zinc/30/38/94/1062303894.db2.gz VRQVMXSZUKKMHN-QHCPKHFHSA-N 2 1 393.531 3.763 20 0 GHADMP CC1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC001457309929 1063083988 /nfs/dbraw/zinc/08/39/88/1063083988.db2.gz KQLSHTCQWVLTNL-GOSISDBHSA-N 2 1 377.960 3.684 20 0 GHADMP CC1(C)CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC001457309929 1063084010 /nfs/dbraw/zinc/08/40/10/1063084010.db2.gz KQLSHTCQWVLTNL-GOSISDBHSA-N 2 1 377.960 3.684 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001457611855 1063277363 /nfs/dbraw/zinc/27/73/63/1063277363.db2.gz KADLVLBPTPADRH-SFHVURJKSA-N 2 1 383.540 3.752 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001457611855 1063277387 /nfs/dbraw/zinc/27/73/87/1063277387.db2.gz KADLVLBPTPADRH-SFHVURJKSA-N 2 1 383.540 3.752 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001457702722 1063319554 /nfs/dbraw/zinc/31/95/54/1063319554.db2.gz NCNMXSAHGWGDSO-QFIPXVFZSA-N 2 1 397.538 3.839 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001458036861 1063517821 /nfs/dbraw/zinc/51/78/21/1063517821.db2.gz YNIQVPMAZFJJBE-SGNDLWITSA-N 2 1 391.559 3.779 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1cccc2ccccc21 ZINC001349389430 1063691892 /nfs/dbraw/zinc/69/18/92/1063691892.db2.gz MYDSTNYWOZZENE-RTBURBONSA-N 2 1 379.548 3.871 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001459315435 1064059648 /nfs/dbraw/zinc/05/96/48/1064059648.db2.gz LZLWYQZUGTYRAS-YADHBBJMSA-N 2 1 399.966 3.970 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC001459315435 1064059654 /nfs/dbraw/zinc/05/96/54/1064059654.db2.gz LZLWYQZUGTYRAS-YADHBBJMSA-N 2 1 399.966 3.970 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001438576415 1064075476 /nfs/dbraw/zinc/07/54/76/1064075476.db2.gz XVKPQQDMJWIPMJ-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001438576415 1064075485 /nfs/dbraw/zinc/07/54/85/1064075485.db2.gz XVKPQQDMJWIPMJ-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001438576415 1064075503 /nfs/dbraw/zinc/07/55/03/1064075503.db2.gz XVKPQQDMJWIPMJ-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC001459609318 1064141891 /nfs/dbraw/zinc/14/18/91/1064141891.db2.gz LVYXFSNRJPGTDF-BWKNWUBXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC001459609318 1064141893 /nfs/dbraw/zinc/14/18/93/1064141893.db2.gz LVYXFSNRJPGTDF-BWKNWUBXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC001459609318 1064141897 /nfs/dbraw/zinc/14/18/97/1064141897.db2.gz LVYXFSNRJPGTDF-BWKNWUBXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC001459609318 1064141899 /nfs/dbraw/zinc/14/18/99/1064141899.db2.gz LVYXFSNRJPGTDF-BWKNWUBXSA-N 2 1 391.559 3.722 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(N(C)C(C)C)c(F)c2)CC1 ZINC001459614463 1064144170 /nfs/dbraw/zinc/14/41/70/1064144170.db2.gz QDPQNDITBYGJJT-UHFFFAOYSA-N 2 1 392.563 3.805 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC001459687658 1064170123 /nfs/dbraw/zinc/17/01/23/1064170123.db2.gz SODPBOVFWKICKD-HSZRJFAPSA-N 2 1 379.548 3.504 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001464380123 1064979848 /nfs/dbraw/zinc/97/98/48/1064979848.db2.gz YBLIQVGETPARJS-IFMALSPDSA-N 2 1 385.596 3.915 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001465257111 1065504347 /nfs/dbraw/zinc/50/43/47/1065504347.db2.gz FJSGQPYLQNYAJD-GBXCKJPGSA-N 2 1 393.575 3.916 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC001200244293 1065722885 /nfs/dbraw/zinc/72/28/85/1065722885.db2.gz QRRWBULDZGVAEW-UHFFFAOYSA-N 2 1 378.419 3.758 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(-c2ccccc2)c1 ZINC001465946821 1065933258 /nfs/dbraw/zinc/93/32/58/1065933258.db2.gz BICVOGIHUOUHKD-OAQYLSRUSA-N 2 1 395.551 3.628 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001466083153 1065976607 /nfs/dbraw/zinc/97/66/07/1065976607.db2.gz VEMCKHHFZVEPJY-UXHICEINSA-N 2 1 379.548 3.526 20 0 GHADMP CCCCOc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC ZINC001200376409 1066024666 /nfs/dbraw/zinc/02/46/66/1066024666.db2.gz BQLQFBDGCGCFFO-HXUWFJFHSA-N 2 1 376.541 3.607 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1)CC1CC1 ZINC001466382101 1066124031 /nfs/dbraw/zinc/12/40/31/1066124031.db2.gz IQXGDHTYPSONTB-UHFFFAOYSA-N 2 1 387.568 3.850 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2cc3c(s2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001357403482 1067085118 /nfs/dbraw/zinc/08/51/18/1067085118.db2.gz DIQLOYQMKKAXPE-VQIMIIECSA-N 2 1 383.561 3.519 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)CC3(C)C)C[N@H+]2C1 ZINC001467407966 1067281085 /nfs/dbraw/zinc/28/10/85/1067281085.db2.gz GSYZMYLSTDDSJM-PSWRPDDJSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)C[NH+]2C1 ZINC001467407966 1067281092 /nfs/dbraw/zinc/28/10/92/1067281092.db2.gz GSYZMYLSTDDSJM-PSWRPDDJSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)C[NH+]2C1 ZINC001467407966 1067281097 /nfs/dbraw/zinc/28/10/97/1067281097.db2.gz GSYZMYLSTDDSJM-PSWRPDDJSA-N 2 1 383.580 3.524 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001477673516 1078520043 /nfs/dbraw/zinc/52/00/43/1078520043.db2.gz RDTIQQAFISCJHF-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP CN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001467752263 1067452276 /nfs/dbraw/zinc/45/22/76/1067452276.db2.gz OOVYLELANZPFSD-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001468347665 1067696429 /nfs/dbraw/zinc/69/64/29/1067696429.db2.gz KOOQCPJSTYVNMB-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001468390353 1067715504 /nfs/dbraw/zinc/71/55/04/1067715504.db2.gz VZCMHIADTUNDEZ-PKTZIBPZSA-N 2 1 398.595 3.879 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)C[NH+](C)Cc1ccccc1 ZINC001477798060 1078571013 /nfs/dbraw/zinc/57/10/13/1078571013.db2.gz JCWGWPGMBGBBIL-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC001477798060 1078571015 /nfs/dbraw/zinc/57/10/15/1078571015.db2.gz JCWGWPGMBGBBIL-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001477798060 1078571018 /nfs/dbraw/zinc/57/10/18/1078571018.db2.gz JCWGWPGMBGBBIL-NRFANRHFSA-N 2 1 388.600 3.851 20 0 GHADMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NCc3ccc(C)cc3)CC2)cs1 ZINC000849101943 1067728104 /nfs/dbraw/zinc/72/81/04/1067728104.db2.gz AVEQXRPABBGILW-UHFFFAOYSA-N 2 1 385.581 3.540 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC1CCCCC1 ZINC001468788754 1067883433 /nfs/dbraw/zinc/88/34/33/1067883433.db2.gz YECXECZVGQMGOQ-TZIWHRDSSA-N 2 1 380.621 3.793 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001477888528 1078612136 /nfs/dbraw/zinc/61/21/36/1078612136.db2.gz XIRIDUPOQBTWDG-QFIPXVFZSA-N 2 1 386.584 3.605 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858602 1068224783 /nfs/dbraw/zinc/22/47/83/1068224783.db2.gz OONWRDMQCPPVQN-HXUWFJFHSA-N 2 1 377.960 3.637 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001478140080 1078738580 /nfs/dbraw/zinc/73/85/80/1078738580.db2.gz ZCYJYUITYPDGCH-KXTWHKPSSA-N 2 1 388.600 3.563 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001478140080 1078738589 /nfs/dbraw/zinc/73/85/89/1078738589.db2.gz ZCYJYUITYPDGCH-KXTWHKPSSA-N 2 1 388.600 3.563 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001478140080 1078738596 /nfs/dbraw/zinc/73/85/96/1078738596.db2.gz ZCYJYUITYPDGCH-KXTWHKPSSA-N 2 1 388.600 3.563 20 0 GHADMP C[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](CO)Cc1ccccc1 ZINC001460416917 1068957933 /nfs/dbraw/zinc/95/79/33/1068957933.db2.gz JRGQPYXGBZBVCE-RUZDIDTESA-N 2 1 380.576 3.867 20 0 GHADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001478519898 1078902952 /nfs/dbraw/zinc/90/29/52/1078902952.db2.gz IYPUJRSFOYNDKR-HXUWFJFHSA-N 2 1 390.616 3.739 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001479001092 1079058680 /nfs/dbraw/zinc/05/86/80/1079058680.db2.gz LJJBDUJRNFWLHG-OAQYLSRUSA-N 2 1 392.632 3.937 20 0 GHADMP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001479056442 1079086297 /nfs/dbraw/zinc/08/62/97/1079086297.db2.gz VDKZRSFPQPFCOY-QHCPKHFHSA-N 2 1 398.595 3.605 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001479083153 1079096555 /nfs/dbraw/zinc/09/65/55/1079096555.db2.gz QLKXEXXFUWCZLN-AJSBUHFISA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001479083153 1079096556 /nfs/dbraw/zinc/09/65/56/1079096556.db2.gz QLKXEXXFUWCZLN-AJSBUHFISA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001479083153 1079096560 /nfs/dbraw/zinc/09/65/60/1079096560.db2.gz QLKXEXXFUWCZLN-AJSBUHFISA-N 2 1 398.595 3.870 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001472576538 1073558117 /nfs/dbraw/zinc/55/81/17/1073558117.db2.gz ZCUYIBIKWJUHTH-XXBNENTESA-N 2 1 379.548 3.746 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001472576538 1073558130 /nfs/dbraw/zinc/55/81/30/1073558130.db2.gz ZCUYIBIKWJUHTH-XXBNENTESA-N 2 1 379.548 3.746 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473144394 1073805565 /nfs/dbraw/zinc/80/55/65/1073805565.db2.gz KRKIIESORYXZGP-RTWAWAEBSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1C1CCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473144394 1073805579 /nfs/dbraw/zinc/80/55/79/1073805579.db2.gz KRKIIESORYXZGP-RTWAWAEBSA-N 2 1 389.971 3.858 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192414 1073845029 /nfs/dbraw/zinc/84/50/29/1073845029.db2.gz MMFZBBIPPQHJOD-DLBZAZTESA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192414 1073845040 /nfs/dbraw/zinc/84/50/40/1073845040.db2.gz MMFZBBIPPQHJOD-DLBZAZTESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192414 1073845049 /nfs/dbraw/zinc/84/50/49/1073845049.db2.gz MMFZBBIPPQHJOD-DLBZAZTESA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001473192414 1073845053 /nfs/dbraw/zinc/84/50/53/1073845053.db2.gz MMFZBBIPPQHJOD-DLBZAZTESA-N 2 1 375.340 3.539 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001473492523 1073988084 /nfs/dbraw/zinc/98/80/84/1073988084.db2.gz HZDBTBDYXZIZIS-SJLPKXTDSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001473492523 1073988088 /nfs/dbraw/zinc/98/80/88/1073988088.db2.gz HZDBTBDYXZIZIS-SJLPKXTDSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001473492523 1073988093 /nfs/dbraw/zinc/98/80/93/1073988093.db2.gz HZDBTBDYXZIZIS-SJLPKXTDSA-N 2 1 398.332 3.640 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001473492524 1073988151 /nfs/dbraw/zinc/98/81/51/1073988151.db2.gz HZDBTBDYXZIZIS-WMZOPIPTSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001473492524 1073988153 /nfs/dbraw/zinc/98/81/53/1073988153.db2.gz HZDBTBDYXZIZIS-WMZOPIPTSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001473492524 1073988156 /nfs/dbraw/zinc/98/81/56/1073988156.db2.gz HZDBTBDYXZIZIS-WMZOPIPTSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(c2ccccc2Cl)CCC1)c1ccccc1 ZINC001473612862 1074049298 /nfs/dbraw/zinc/04/92/98/1074049298.db2.gz GXMYPCJKQXOPDC-HXUWFJFHSA-N 2 1 385.939 3.728 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC001473912896 1074200607 /nfs/dbraw/zinc/20/06/07/1074200607.db2.gz ZGUJDZDAOIKAHG-UHFFFAOYSA-N 2 1 379.346 3.621 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1-n1cncn1 ZINC001473931533 1074208869 /nfs/dbraw/zinc/20/88/69/1074208869.db2.gz LIYACSCLQNYQOW-IBGZPJMESA-N 2 1 375.520 3.932 20 0 GHADMP COC(=O)COc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001473931577 1074209068 /nfs/dbraw/zinc/20/90/68/1074209068.db2.gz MOZGRDNTVWQYCM-IBGZPJMESA-N 2 1 396.531 3.760 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cccc(I)c2)C1 ZINC001473936144 1074210255 /nfs/dbraw/zinc/21/02/55/1074210255.db2.gz WNPSATRIFILPHD-GJZGRUSLSA-N 2 1 386.321 3.749 20 0 GHADMP CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC001473975218 1074223522 /nfs/dbraw/zinc/22/35/22/1074223522.db2.gz VVFCCGFZRMAJLJ-DENIHFKCSA-N 2 1 392.609 3.940 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC001474013531 1074235153 /nfs/dbraw/zinc/23/51/53/1074235153.db2.gz MIAONDKVYJGNDI-UHFFFAOYSA-N 2 1 395.473 3.655 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1OC ZINC001474029617 1074241413 /nfs/dbraw/zinc/24/14/13/1074241413.db2.gz LTHSOHYFIRXSJZ-YLJYHZDGSA-N 2 1 384.520 3.713 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1OC ZINC001474029617 1074241417 /nfs/dbraw/zinc/24/14/17/1074241417.db2.gz LTHSOHYFIRXSJZ-YLJYHZDGSA-N 2 1 384.520 3.713 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C(F)F)nc1 ZINC001474184209 1074286415 /nfs/dbraw/zinc/28/64/15/1074286415.db2.gz BEVLLELGKBWTAC-UYAOXDASSA-N 2 1 375.463 3.646 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C(F)F)nc1 ZINC001474184209 1074286417 /nfs/dbraw/zinc/28/64/17/1074286417.db2.gz BEVLLELGKBWTAC-UYAOXDASSA-N 2 1 375.463 3.646 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001474234329 1074302512 /nfs/dbraw/zinc/30/25/12/1074302512.db2.gz LVZJHQYGJQCRMT-CTNGQTDRSA-N 2 1 385.596 3.771 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001474355462 1074360446 /nfs/dbraw/zinc/36/04/46/1074360446.db2.gz JYXWADMYLYDCAT-LADGPHEKSA-N 2 1 395.595 3.929 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001474355462 1074360456 /nfs/dbraw/zinc/36/04/56/1074360456.db2.gz JYXWADMYLYDCAT-LADGPHEKSA-N 2 1 395.595 3.929 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001474355462 1074360464 /nfs/dbraw/zinc/36/04/64/1074360464.db2.gz JYXWADMYLYDCAT-LADGPHEKSA-N 2 1 395.595 3.929 20 0 GHADMP CCN(CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)CCC(F)(F)F ZINC001474437974 1074406212 /nfs/dbraw/zinc/40/62/12/1074406212.db2.gz AYZVQRUZFGOVLC-ZCNNSNEGSA-N 2 1 383.502 3.903 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505148 1074437918 /nfs/dbraw/zinc/43/79/18/1074437918.db2.gz PTCMVTKFXNVHFJ-YLJOHRSJSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505148 1074437922 /nfs/dbraw/zinc/43/79/22/1074437922.db2.gz PTCMVTKFXNVHFJ-YLJOHRSJSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505148 1074437925 /nfs/dbraw/zinc/43/79/25/1074437925.db2.gz PTCMVTKFXNVHFJ-YLJOHRSJSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@@H](C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC001474513037 1074442665 /nfs/dbraw/zinc/44/26/65/1074442665.db2.gz FIWVZDFEUOBFOK-IBGZPJMESA-N 2 1 387.518 3.818 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CC[N@H+](C)[C@H](C)CC ZINC001495776800 1079429556 /nfs/dbraw/zinc/42/95/56/1079429556.db2.gz DUNHVAKQDMLNOH-RTBURBONSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](CC(C)C)CC3)c2c1C ZINC000301057738 719337386 /nfs/dbraw/zinc/33/73/86/719337386.db2.gz NKTPJHDMMNJXNY-UHFFFAOYSA-N 2 1 387.597 3.682 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)cc(C)[nH+]1)CC2 ZINC001164712968 720095279 /nfs/dbraw/zinc/09/52/79/720095279.db2.gz ZKVWZQPWCLLWTC-NRFANRHFSA-N 2 1 380.536 3.601 20 0 GHADMP COc1ccc2c[nH+]c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)cc2c1 ZINC001164863595 720981931 /nfs/dbraw/zinc/98/19/31/720981931.db2.gz XFPWSFYUAQRQQL-INIZCTEOSA-N 2 1 379.508 3.861 20 0 GHADMP COc1ccc2c[nH+]c(N3CCn4c(C[N@@H+](C)C(C)C)cnc4[C@@H]3C)cc2c1 ZINC001164863595 720981937 /nfs/dbraw/zinc/98/19/37/720981937.db2.gz XFPWSFYUAQRQQL-INIZCTEOSA-N 2 1 379.508 3.861 20 0 GHADMP Cc1cccc(N(c2ccc(C[N@H+](C)C3CC3)cn2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164776110 721329766 /nfs/dbraw/zinc/32/97/66/721329766.db2.gz COKWDYTYZWBGQA-LADGPHEKSA-N 2 1 392.547 3.643 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)C[N@H+]1Cc1ccccc1 ZINC000414364812 837390832 /nfs/dbraw/zinc/39/08/32/837390832.db2.gz JQDPYYIFOWIHGL-AEFFLSMTSA-N 2 1 392.590 3.542 20 0 GHADMP C[C@H]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000471386725 837461376 /nfs/dbraw/zinc/46/13/76/837461376.db2.gz WLICDVHUWQHLDY-NRFANRHFSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@H]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471386725 837461383 /nfs/dbraw/zinc/46/13/83/837461383.db2.gz WLICDVHUWQHLDY-NRFANRHFSA-N 2 1 391.559 3.558 20 0 GHADMP C[C@H]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471386725 837461391 /nfs/dbraw/zinc/46/13/91/837461391.db2.gz WLICDVHUWQHLDY-NRFANRHFSA-N 2 1 391.559 3.558 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000647544332 837476612 /nfs/dbraw/zinc/47/66/12/837476612.db2.gz ZAVKZJGJMBYQSV-IRXDYDNUSA-N 2 1 386.458 3.848 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccc(OC)nc3)CC2)cs1 ZINC000414113615 837609487 /nfs/dbraw/zinc/60/94/87/837609487.db2.gz KWSGBTABOGCPDU-INIZCTEOSA-N 2 1 388.581 3.542 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Oc1ccccc1C(F)(F)F ZINC000655731571 837766043 /nfs/dbraw/zinc/76/60/43/837766043.db2.gz SQXUOSJBSIYLHT-IRXDYDNUSA-N 2 1 386.458 3.706 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000274619214 834493981 /nfs/dbraw/zinc/49/39/81/834493981.db2.gz VUSKPJVSXDJDPR-IDTFWCKXSA-N 2 1 379.548 3.855 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000274619214 834493987 /nfs/dbraw/zinc/49/39/87/834493987.db2.gz VUSKPJVSXDJDPR-IDTFWCKXSA-N 2 1 379.548 3.855 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583508786 834526723 /nfs/dbraw/zinc/52/67/23/834526723.db2.gz UKBGGIOWZNHVBC-HSZRJFAPSA-N 2 1 379.548 3.619 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1OC ZINC000650706762 834543365 /nfs/dbraw/zinc/54/33/65/834543365.db2.gz RVBCXTDUYAMYCL-XFIJJGBISA-N 2 1 376.541 3.591 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706921 834552679 /nfs/dbraw/zinc/55/26/79/834552679.db2.gz VOUIMIXMIOMFKI-ZWOKBUDYSA-N 2 1 387.549 3.537 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)C1 ZINC000090585335 834617383 /nfs/dbraw/zinc/61/73/83/834617383.db2.gz GQBNURGUAQBEEW-DLBZAZTESA-N 2 1 375.948 3.939 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)C1 ZINC000090585335 834617389 /nfs/dbraw/zinc/61/73/89/834617389.db2.gz GQBNURGUAQBEEW-DLBZAZTESA-N 2 1 375.948 3.939 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879854 834622201 /nfs/dbraw/zinc/62/22/01/834622201.db2.gz UFWIXJJBNYOFOP-IBGZPJMESA-N 2 1 375.520 3.625 20 0 GHADMP O=C1CCCN1Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000128487034 834685928 /nfs/dbraw/zinc/68/59/28/834685928.db2.gz IOGGMQIKQUFZSR-UHFFFAOYSA-N 2 1 391.559 3.606 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc2ccncc2s1 ZINC000657868303 834714738 /nfs/dbraw/zinc/71/47/38/834714738.db2.gz NWGSXMWNNMONHC-FXAWDEMLSA-N 2 1 380.561 3.936 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000510057411 834737124 /nfs/dbraw/zinc/73/71/24/834737124.db2.gz QBFWJAMGGUSTCQ-KRWDZBQOSA-N 2 1 386.462 3.585 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4ccccc4[C@H]3C(C)C)CC2)CC1 ZINC000654914177 834782703 /nfs/dbraw/zinc/78/27/03/834782703.db2.gz AGQHMDVWAPHBKI-XMMPIXPASA-N 2 1 397.607 3.965 20 0 GHADMP CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000657878551 834881082 /nfs/dbraw/zinc/88/10/82/834881082.db2.gz WFLQDAPDAYTFKY-VQTJNVASSA-N 2 1 387.612 3.909 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657881135 834889458 /nfs/dbraw/zinc/88/94/58/834889458.db2.gz GGCJFCTZCXTLSK-CYBMUJFWSA-N 2 1 378.866 3.990 20 0 GHADMP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000511265449 834908410 /nfs/dbraw/zinc/90/84/10/834908410.db2.gz LDJUVPYCYWLJDH-LJQANCHMSA-N 2 1 384.568 3.512 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000583770767 835004236 /nfs/dbraw/zinc/00/42/36/835004236.db2.gz VDGRWUYEZKAEBS-UHFFFAOYSA-N 2 1 398.551 3.539 20 0 GHADMP CC(C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604509 835215993 /nfs/dbraw/zinc/21/59/93/835215993.db2.gz AEHFCQIGKLTEKR-CMOCDZPBSA-N 2 1 388.596 3.690 20 0 GHADMP CC(C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604509 835215997 /nfs/dbraw/zinc/21/59/97/835215997.db2.gz AEHFCQIGKLTEKR-CMOCDZPBSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511246150 835227129 /nfs/dbraw/zinc/22/71/29/835227129.db2.gz BSBAYSCANGALIA-KCZVDYSFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511246150 835227134 /nfs/dbraw/zinc/22/71/34/835227134.db2.gz BSBAYSCANGALIA-KCZVDYSFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511246150 835227135 /nfs/dbraw/zinc/22/71/35/835227135.db2.gz BSBAYSCANGALIA-KCZVDYSFSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511246150 835227137 /nfs/dbraw/zinc/22/71/37/835227137.db2.gz BSBAYSCANGALIA-KCZVDYSFSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000180524810 835241312 /nfs/dbraw/zinc/24/13/12/835241312.db2.gz MWFGKFDOUIXHSL-MSOLQXFVSA-N 2 1 388.515 3.805 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCn4nccc43)cc2)C[C@H]1C ZINC000657939302 835275169 /nfs/dbraw/zinc/27/51/69/835275169.db2.gz XJXXIKFWTKUMSS-XQBPLPMBSA-N 2 1 382.552 3.517 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000061865202 835328560 /nfs/dbraw/zinc/32/85/60/835328560.db2.gz UYKNXTORXMGFFM-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000061865202 835328568 /nfs/dbraw/zinc/32/85/68/835328568.db2.gz UYKNXTORXMGFFM-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000061865202 835328576 /nfs/dbraw/zinc/32/85/76/835328576.db2.gz UYKNXTORXMGFFM-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC001167077802 835331301 /nfs/dbraw/zinc/33/13/01/835331301.db2.gz NVMVHBXZIGWGAY-NRFANRHFSA-N 2 1 375.532 3.765 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092576 835417033 /nfs/dbraw/zinc/41/70/33/835417033.db2.gz QNDFTESIYPZOMU-XJKSGUPXSA-N 2 1 382.346 3.629 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cc2)C1 ZINC000658135339 835444516 /nfs/dbraw/zinc/44/45/16/835444516.db2.gz DFDYQHCAQRNSKO-RPWUZVMVSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cc2)C1 ZINC000658135339 835444522 /nfs/dbraw/zinc/44/45/22/835444522.db2.gz DFDYQHCAQRNSKO-RPWUZVMVSA-N 2 1 391.490 3.667 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)CC1 ZINC000179487324 835583994 /nfs/dbraw/zinc/58/39/94/835583994.db2.gz SHHYVXSUSBMTHB-ONEGZZNKSA-N 2 1 389.971 3.619 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000274876830 835755231 /nfs/dbraw/zinc/75/52/31/835755231.db2.gz YTZBYTORTVMNAC-SIKLNZKXSA-N 2 1 385.596 3.771 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000448211365 835780522 /nfs/dbraw/zinc/78/05/22/835780522.db2.gz CMBVCDVDPCNOHQ-JOCHJYFZSA-N 2 1 388.600 3.696 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC000584224228 835785019 /nfs/dbraw/zinc/78/50/19/835785019.db2.gz MLKWYUZUAIITMM-UHFFFAOYSA-N 2 1 387.430 3.850 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)cc1 ZINC000154658442 835885473 /nfs/dbraw/zinc/88/54/73/835885473.db2.gz MBNHIJCOVBIDJW-GCJKJVERSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000154658442 835885480 /nfs/dbraw/zinc/88/54/80/835885480.db2.gz MBNHIJCOVBIDJW-GCJKJVERSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000154658442 835885483 /nfs/dbraw/zinc/88/54/83/835885483.db2.gz MBNHIJCOVBIDJW-GCJKJVERSA-N 2 1 385.552 3.643 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000547748306 836000944 /nfs/dbraw/zinc/00/09/44/836000944.db2.gz BAHFLFYXZHYBBS-QUCCMNQESA-N 2 1 386.584 3.730 20 0 GHADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCCCCCCCC(=O)OC)CC1 ZINC001209097941 836009047 /nfs/dbraw/zinc/00/90/47/836009047.db2.gz NWFUMHRSZKMRPI-OAQYLSRUSA-N 2 1 382.589 3.855 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCCCCCCCC(=O)OC)CC1 ZINC001209097941 836009060 /nfs/dbraw/zinc/00/90/60/836009060.db2.gz NWFUMHRSZKMRPI-OAQYLSRUSA-N 2 1 382.589 3.855 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000154861092 836082887 /nfs/dbraw/zinc/08/28/87/836082887.db2.gz WZYXJQZKHQDUBG-KRWDZBQOSA-N 2 1 389.565 3.749 20 0 GHADMP CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000581997882 844140208 /nfs/dbraw/zinc/14/02/08/844140208.db2.gz HIJDKZVZQSGHIA-RPWUZVMVSA-N 2 1 382.548 3.536 20 0 GHADMP C[N@H+](CCC(=O)Nc1ccccc1Br)CC[C@@H]1CCCC[NH+]1C ZINC000173645238 836234190 /nfs/dbraw/zinc/23/41/90/836234190.db2.gz ZANSIHVDDBMFSO-HNNXBMFYSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1ccccc1Br)CC[C@@H]1CCCC[N@@H+]1C ZINC000173645238 836234204 /nfs/dbraw/zinc/23/42/04/836234204.db2.gz ZANSIHVDDBMFSO-HNNXBMFYSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1ccccc1Br)CC[C@@H]1CCCC[N@H+]1C ZINC000173645238 836234217 /nfs/dbraw/zinc/23/42/17/836234217.db2.gz ZANSIHVDDBMFSO-HNNXBMFYSA-N 2 1 382.346 3.584 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1Br ZINC000180646131 836237392 /nfs/dbraw/zinc/23/73/92/836237392.db2.gz DDQZPJXYVJGHCC-YJBOKZPZSA-N 2 1 389.337 3.867 20 0 GHADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)cc1 ZINC000613382399 836246923 /nfs/dbraw/zinc/24/69/23/836246923.db2.gz FVESMCOKPHHFQQ-UHFFFAOYSA-N 2 1 385.939 3.684 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(Cl)cc1 ZINC000613382399 836246934 /nfs/dbraw/zinc/24/69/34/836246934.db2.gz FVESMCOKPHHFQQ-UHFFFAOYSA-N 2 1 385.939 3.684 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)n1 ZINC000548483932 844148743 /nfs/dbraw/zinc/14/87/43/844148743.db2.gz FGMSTGSAGCIAGC-NZQKXSOJSA-N 2 1 389.547 3.884 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000570041825 836318737 /nfs/dbraw/zinc/31/87/37/836318737.db2.gz BLTFDDFNXDTSRV-AQNXPRMDSA-N 2 1 392.469 3.978 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000570041825 836318753 /nfs/dbraw/zinc/31/87/53/836318753.db2.gz BLTFDDFNXDTSRV-AQNXPRMDSA-N 2 1 392.469 3.978 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000092665139 844156600 /nfs/dbraw/zinc/15/66/00/844156600.db2.gz RCVKXYZESVCJSX-OYRHEFFESA-N 2 1 378.564 3.739 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000092665139 844156608 /nfs/dbraw/zinc/15/66/08/844156608.db2.gz RCVKXYZESVCJSX-OYRHEFFESA-N 2 1 378.564 3.739 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000092665139 844156614 /nfs/dbraw/zinc/15/66/14/844156614.db2.gz RCVKXYZESVCJSX-OYRHEFFESA-N 2 1 378.564 3.739 20 0 GHADMP COc1ccc([C@@H](CO)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000414169272 836386211 /nfs/dbraw/zinc/38/62/11/836386211.db2.gz BAIDWSCWHMKJIM-BXXSPATCSA-N 2 1 380.532 3.556 20 0 GHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000109675430 836464506 /nfs/dbraw/zinc/46/45/06/836464506.db2.gz UFDJAIBHIJXAKF-NRFANRHFSA-N 2 1 380.536 3.907 20 0 GHADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000109675430 836464508 /nfs/dbraw/zinc/46/45/08/836464508.db2.gz UFDJAIBHIJXAKF-NRFANRHFSA-N 2 1 380.536 3.907 20 0 GHADMP C[C@H](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000177394843 836473399 /nfs/dbraw/zinc/47/33/99/836473399.db2.gz OEMAYSOMTLAZCI-GOSISDBHSA-N 2 1 375.557 3.886 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000613493142 836553611 /nfs/dbraw/zinc/55/36/11/836553611.db2.gz XFWOLUIUFONCQD-UHFFFAOYSA-N 2 1 399.623 3.912 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827765 836701986 /nfs/dbraw/zinc/70/19/86/836701986.db2.gz YTAWFFOHMDIOHH-OALUTQOASA-N 2 1 384.568 3.626 20 0 GHADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827765 836701997 /nfs/dbraw/zinc/70/19/97/836701997.db2.gz YTAWFFOHMDIOHH-OALUTQOASA-N 2 1 384.568 3.626 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376062009 836717470 /nfs/dbraw/zinc/71/74/70/836717470.db2.gz NOWYKBZKEGJRQH-DVWBAYGPSA-N 2 1 396.535 3.667 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000275359133 836880429 /nfs/dbraw/zinc/88/04/29/836880429.db2.gz ASIXIKVGHWPXGR-KFKAGJAMSA-N 2 1 382.508 3.746 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000511420521 837201157 /nfs/dbraw/zinc/20/11/57/837201157.db2.gz FDNJALRRYFHDMN-HSZRJFAPSA-N 2 1 377.532 3.800 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000511420521 837201165 /nfs/dbraw/zinc/20/11/65/837201165.db2.gz FDNJALRRYFHDMN-HSZRJFAPSA-N 2 1 377.532 3.800 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000511420521 837201171 /nfs/dbraw/zinc/20/11/71/837201171.db2.gz FDNJALRRYFHDMN-HSZRJFAPSA-N 2 1 377.532 3.800 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000511420521 837201179 /nfs/dbraw/zinc/20/11/79/837201179.db2.gz FDNJALRRYFHDMN-HSZRJFAPSA-N 2 1 377.532 3.800 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCCOc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000647528536 837267608 /nfs/dbraw/zinc/26/76/08/837267608.db2.gz SFZKLRMIFFVTJX-OAQYLSRUSA-N 2 1 382.552 3.706 20 0 GHADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccc2c(c1)C[NH2+]C2 ZINC000659021453 837273544 /nfs/dbraw/zinc/27/35/44/837273544.db2.gz DSMLRVFACGQIBQ-OAQYLSRUSA-N 2 1 390.531 3.714 20 0 GHADMP CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)s1 ZINC000414348457 837283681 /nfs/dbraw/zinc/28/36/81/837283681.db2.gz IZFSIMIRIMWFEU-UHFFFAOYSA-N 2 1 392.590 3.817 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000647532561 837339256 /nfs/dbraw/zinc/33/92/56/837339256.db2.gz DBIANQMMSLSFER-VWNXMTODSA-N 2 1 391.559 3.751 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc(C)c1F ZINC001143378224 838000255 /nfs/dbraw/zinc/00/02/55/838000255.db2.gz KQBHUUJSIVVAGM-FGZHOGPDSA-N 2 1 383.511 3.560 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc(C)c1F ZINC001143378224 838000262 /nfs/dbraw/zinc/00/02/62/838000262.db2.gz KQBHUUJSIVVAGM-FGZHOGPDSA-N 2 1 383.511 3.560 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc(C)c1F ZINC001143378224 838000271 /nfs/dbraw/zinc/00/02/71/838000271.db2.gz KQBHUUJSIVVAGM-FGZHOGPDSA-N 2 1 383.511 3.560 20 0 GHADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c2)C[C@H](C)O1 ZINC000121396591 838012599 /nfs/dbraw/zinc/01/25/99/838012599.db2.gz QJZSYKBHAAAASY-ROUUACIJSA-N 2 1 381.520 3.610 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659279446 838055990 /nfs/dbraw/zinc/05/59/90/838055990.db2.gz AAEKGHJKAVZOHC-NFBKMPQASA-N 2 1 391.559 3.659 20 0 GHADMP C[NH2+][C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1cccc(Cl)c1Cl ZINC000659285685 838202188 /nfs/dbraw/zinc/20/21/88/838202188.db2.gz QQIZZNYOFUXJHW-GOSISDBHSA-N 2 1 396.318 3.833 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659284663 838208283 /nfs/dbraw/zinc/20/82/83/838208283.db2.gz LZZWPDDLHWKCLI-UKILVPOCSA-N 2 1 389.543 3.736 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415913172 838269859 /nfs/dbraw/zinc/26/98/59/838269859.db2.gz AICBVSGTGSDKDM-MOPGFXCFSA-N 2 1 380.536 3.923 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000415932630 838281333 /nfs/dbraw/zinc/28/13/33/838281333.db2.gz OKRKQEJJRJJDOG-QHCPKHFHSA-N 2 1 378.520 3.536 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000415936945 838289919 /nfs/dbraw/zinc/28/99/19/838289919.db2.gz XQOXKBSGJCJDPM-HSZRJFAPSA-N 2 1 380.536 3.972 20 0 GHADMP C[NH2+][C@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cccc(Cl)c1Cl ZINC000659366037 838320706 /nfs/dbraw/zinc/32/07/06/838320706.db2.gz ZXINALQKUAUSIE-AEFFLSMTSA-N 2 1 394.302 3.554 20 0 GHADMP C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275729227 838588281 /nfs/dbraw/zinc/58/82/81/838588281.db2.gz XAJSKPFGGBZDHT-DENIHFKCSA-N 2 1 394.563 3.823 20 0 GHADMP Brc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Br ZINC000124524871 838625484 /nfs/dbraw/zinc/62/54/84/838625484.db2.gz IHBWYJDYPBJYNJ-CHWSQXEVSA-N 2 1 388.147 3.928 20 0 GHADMP Brc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000124524871 838625486 /nfs/dbraw/zinc/62/54/86/838625486.db2.gz IHBWYJDYPBJYNJ-CHWSQXEVSA-N 2 1 388.147 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416173773 838666412 /nfs/dbraw/zinc/66/64/12/838666412.db2.gz DQVNZGBTTUGJPJ-UHFFFAOYSA-N 2 1 377.532 3.978 20 0 GHADMP C[N@@H+](CCC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000548064298 838904364 /nfs/dbraw/zinc/90/43/64/838904364.db2.gz OGBRZMYOQGHHSW-UTKZUKDTSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000548064298 838904374 /nfs/dbraw/zinc/90/43/74/838904374.db2.gz OGBRZMYOQGHHSW-UTKZUKDTSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+](CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCCCC1 ZINC000548064298 838904386 /nfs/dbraw/zinc/90/43/86/838904386.db2.gz OGBRZMYOQGHHSW-UTKZUKDTSA-N 2 1 377.598 3.902 20 0 GHADMP CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358254 838935476 /nfs/dbraw/zinc/93/54/76/838935476.db2.gz XVJXZYOSDWIWEK-RTWAWAEBSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@@H](C)[C@H](C)[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358254 838935485 /nfs/dbraw/zinc/93/54/85/838935485.db2.gz XVJXZYOSDWIWEK-RTWAWAEBSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@@H](C)[C@H](C)[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358254 838935493 /nfs/dbraw/zinc/93/54/93/838935493.db2.gz XVJXZYOSDWIWEK-RTWAWAEBSA-N 2 1 385.596 3.928 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000580142860 838960681 /nfs/dbraw/zinc/96/06/81/838960681.db2.gz XTHZRPKNPGLHLG-QFIPXVFZSA-N 2 1 387.612 3.853 20 0 GHADMP CCc1ccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000613644846 839057599 /nfs/dbraw/zinc/05/75/99/839057599.db2.gz PFQRPMORRJULDD-UHFFFAOYSA-N 2 1 377.598 3.515 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549430449 839074238 /nfs/dbraw/zinc/07/42/38/839074238.db2.gz NTMFCRLJKUTSNR-QFIPXVFZSA-N 2 1 377.532 3.534 20 0 GHADMP Fc1ccccc1COc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415046049 839125638 /nfs/dbraw/zinc/12/56/38/839125638.db2.gz CGVBWUWAUMDTIR-UHFFFAOYSA-N 2 1 397.538 3.711 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@@H]2CCC[NH+](C)C2)c1 ZINC000458165478 844409340 /nfs/dbraw/zinc/40/93/40/844409340.db2.gz KXMXFQZYBLPCAT-NRFANRHFSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000458165478 844409343 /nfs/dbraw/zinc/40/93/43/844409343.db2.gz KXMXFQZYBLPCAT-NRFANRHFSA-N 2 1 379.548 3.780 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000458165478 844409346 /nfs/dbraw/zinc/40/93/46/844409346.db2.gz KXMXFQZYBLPCAT-NRFANRHFSA-N 2 1 379.548 3.780 20 0 GHADMP CCCc1nc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000377269271 839217056 /nfs/dbraw/zinc/21/70/56/839217056.db2.gz XALDNLCWJQLJBM-UHFFFAOYSA-N 2 1 378.630 3.724 20 0 GHADMP CCCc1nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000377269271 839217076 /nfs/dbraw/zinc/21/70/76/839217076.db2.gz XALDNLCWJQLJBM-UHFFFAOYSA-N 2 1 378.630 3.724 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000580308627 839223205 /nfs/dbraw/zinc/22/32/05/839223205.db2.gz OSOANBWBYNQEGD-ILBGXUMGSA-N 2 1 391.559 3.981 20 0 GHADMP COc1ccc2oc(CNCC3([NH3+])CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000415127420 839236010 /nfs/dbraw/zinc/23/60/10/839236010.db2.gz ICGDASSCBLOWND-UHFFFAOYSA-N 2 1 379.504 3.525 20 0 GHADMP [NH3+]C1(CNCc2cnc(-c3ccccc3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137432 839261766 /nfs/dbraw/zinc/26/17/66/839261766.db2.gz TZQLMGJMWFVVRH-UHFFFAOYSA-N 2 1 392.572 3.893 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000378523940 839276804 /nfs/dbraw/zinc/27/68/04/839276804.db2.gz WGGARIJHUKAQMR-LJQANCHMSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@@H](c1ccc(NC(=O)NCC[NH2+]C2CCCCCC2)cc1)[NH+]1CCOCC1 ZINC000415181596 839333017 /nfs/dbraw/zinc/33/30/17/839333017.db2.gz LWFOLBHFIONPNU-SFHVURJKSA-N 2 1 388.556 3.514 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC001167391943 839469099 /nfs/dbraw/zinc/46/90/99/839469099.db2.gz PKVHWYLIAQZJHP-WOJBJXKFSA-N 2 1 377.617 3.715 20 0 GHADMP COc1cccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cs2)c1 ZINC000580451703 839574685 /nfs/dbraw/zinc/57/46/85/839574685.db2.gz ILLSTLARCPDYLW-WOJBJXKFSA-N 2 1 387.549 3.537 20 0 GHADMP COc1cccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cs2)c1 ZINC000580451702 839575212 /nfs/dbraw/zinc/57/52/12/839575212.db2.gz ILLSTLARCPDYLW-VQTJNVASSA-N 2 1 387.549 3.537 20 0 GHADMP COCc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC ZINC000160613871 840072555 /nfs/dbraw/zinc/07/25/55/840072555.db2.gz QCIIHNVPGQVBLW-GOSISDBHSA-N 2 1 384.520 3.525 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1OCc1ccccc1 ZINC000535809330 844512078 /nfs/dbraw/zinc/51/20/78/844512078.db2.gz RODGZZKXHBAYNK-AOHZBQACSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1OCc1ccccc1 ZINC000535809330 844512083 /nfs/dbraw/zinc/51/20/83/844512083.db2.gz RODGZZKXHBAYNK-AOHZBQACSA-N 2 1 380.532 3.949 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000416977378 840320713 /nfs/dbraw/zinc/32/07/13/840320713.db2.gz PLFJCOQLWBABPH-OIBXWCBGSA-N 2 1 398.595 3.592 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000416979878 840341496 /nfs/dbraw/zinc/34/14/96/840341496.db2.gz SPOVNRCCFKEYLW-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660437595 840386685 /nfs/dbraw/zinc/38/66/85/840386685.db2.gz ZKXRYKMHBIFXNF-SFHVURJKSA-N 2 1 386.584 3.684 20 0 GHADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(I)cc1 ZINC000610799858 844555877 /nfs/dbraw/zinc/55/58/77/844555877.db2.gz DHEJMBNKQSVXSP-INIZCTEOSA-N 2 1 383.277 3.927 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000417221430 840614793 /nfs/dbraw/zinc/61/47/93/840614793.db2.gz OSLXQXKVJAGWQZ-RBUKOAKNSA-N 2 1 386.584 3.638 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1)C1CC1 ZINC000511785256 840749848 /nfs/dbraw/zinc/74/98/48/840749848.db2.gz NLEAWBHGAMEURR-QFIPXVFZSA-N 2 1 379.548 3.574 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC000124172444 840803291 /nfs/dbraw/zinc/80/32/91/840803291.db2.gz VEGJIVXDCRQIPI-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC000124172444 840803304 /nfs/dbraw/zinc/80/33/04/840803304.db2.gz VEGJIVXDCRQIPI-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP [NH3+][C@@H](c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1 ZINC000656468931 841054738 /nfs/dbraw/zinc/05/47/38/841054738.db2.gz VTINCOUQOFILFN-LAUBAEHRSA-N 2 1 381.911 3.502 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCC3(OC)CCC3)CC2)c1C ZINC000549921834 844616246 /nfs/dbraw/zinc/61/62/46/844616246.db2.gz MROYVWIVXFQCGV-UHFFFAOYSA-N 2 1 375.557 3.562 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCC3(OC)CCC3)CC2)c1C ZINC000549921834 844616250 /nfs/dbraw/zinc/61/62/50/844616250.db2.gz MROYVWIVXFQCGV-UHFFFAOYSA-N 2 1 375.557 3.562 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417827162 841208013 /nfs/dbraw/zinc/20/80/13/841208013.db2.gz PDSGFOVCSQAGSE-UEVCKROQSA-N 2 1 394.563 3.676 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417856983 841221559 /nfs/dbraw/zinc/22/15/59/841221559.db2.gz NMNVFQCWAXTTQK-KSFYIVLOSA-N 2 1 391.519 3.803 20 0 GHADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417856986 841222015 /nfs/dbraw/zinc/22/20/15/841222015.db2.gz NMNVFQCWAXTTQK-ZHRRBRCNSA-N 2 1 391.519 3.803 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417914394 841268846 /nfs/dbraw/zinc/26/88/46/841268846.db2.gz ASWLLPXHEFNJJY-DXIQSLLYSA-N 2 1 394.563 3.806 20 0 GHADMP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417991750 841360615 /nfs/dbraw/zinc/36/06/15/841360615.db2.gz LLOHHCZPVRWDOE-BVGQSLNGSA-N 2 1 398.954 3.820 20 0 GHADMP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417991750 841360632 /nfs/dbraw/zinc/36/06/32/841360632.db2.gz LLOHHCZPVRWDOE-BVGQSLNGSA-N 2 1 398.954 3.820 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000500100379 841435001 /nfs/dbraw/zinc/43/50/01/841435001.db2.gz SSESUWBXSJCRFZ-IBGZPJMESA-N 2 1 399.510 3.617 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000500152300 841527153 /nfs/dbraw/zinc/52/71/53/841527153.db2.gz CPQHSUXQUCOHIZ-SJBKTWHCSA-N 2 1 388.600 3.653 20 0 GHADMP CCCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC)C1CC[NH2+]CC1 ZINC000418177568 841616533 /nfs/dbraw/zinc/61/65/33/841616533.db2.gz HVIGIZVGTHLSTD-FQEVSTJZSA-N 2 1 394.991 3.897 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)o1 ZINC000510431118 841634235 /nfs/dbraw/zinc/63/42/35/841634235.db2.gz VEPCXDCGRDAAPX-HXUWFJFHSA-N 2 1 390.572 3.679 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000045410064 841679599 /nfs/dbraw/zinc/67/95/99/841679599.db2.gz PMWNLRCROOOOJC-UHFFFAOYSA-N 2 1 381.524 3.803 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806798 841794152 /nfs/dbraw/zinc/79/41/52/841794152.db2.gz FKJIPNKYLOBWBN-LJQANCHMSA-N 2 1 387.568 3.919 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)CC2=CCCOC2)c1)CC1=CCCOC1 ZINC000661652771 841990050 /nfs/dbraw/zinc/99/00/50/841990050.db2.gz NZUNUXHOWYLUFH-UHFFFAOYSA-N 2 1 390.955 3.897 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000276487010 842003885 /nfs/dbraw/zinc/00/38/85/842003885.db2.gz GZAKICAMYLHWKO-AEFFLSMTSA-N 2 1 387.549 3.505 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001167825081 842037543 /nfs/dbraw/zinc/03/75/43/842037543.db2.gz JWBNTNXSVBGILB-QUCCMNQESA-N 2 1 395.542 3.525 20 0 GHADMP C[C@H]1C[N@@H+](CCCNCc2cc(Br)ccc2Cl)CCCO1 ZINC000432358574 842165517 /nfs/dbraw/zinc/16/55/17/842165517.db2.gz PTSQRDKHUMBKKV-ZDUSSCGKSA-N 2 1 375.738 3.693 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000652334923 842269371 /nfs/dbraw/zinc/26/93/71/842269371.db2.gz UEIDGWSXMPCNAF-IEEQIXEPSA-N 2 1 391.559 3.796 20 0 GHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)n2)cc1 ZINC000652347091 842316116 /nfs/dbraw/zinc/31/61/16/842316116.db2.gz RHPXRWZRSXJBFL-SLFFLAALSA-N 2 1 384.524 3.578 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C2)C1 ZINC000652346660 842316156 /nfs/dbraw/zinc/31/61/56/842316156.db2.gz DGJGGLKKVAOYMH-MZKRTTBSSA-N 2 1 399.579 3.571 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000652347115 842316419 /nfs/dbraw/zinc/31/64/19/842316419.db2.gz SAEDULVDYSSMFH-SZVBFZGTSA-N 2 1 375.900 3.713 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3coc(-c4cccc(Cl)c4)n3)C2)C1 ZINC000652347885 842319768 /nfs/dbraw/zinc/31/97/68/842319768.db2.gz NXFNZFVXAOQQQM-KVSKMBFKSA-N 2 1 375.900 3.713 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000652347278 842324548 /nfs/dbraw/zinc/32/45/48/842324548.db2.gz XVFCMXSWLAWGKL-LSTDLKDCSA-N 2 1 393.959 3.502 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1 ZINC000652347278 842324558 /nfs/dbraw/zinc/32/45/58/842324558.db2.gz XVFCMXSWLAWGKL-LSTDLKDCSA-N 2 1 393.959 3.502 20 0 GHADMP Clc1scc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000432238496 842330051 /nfs/dbraw/zinc/33/00/51/842330051.db2.gz ROWDJNOJQICGJZ-UHFFFAOYSA-N 2 1 385.364 3.752 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000652360943 842369590 /nfs/dbraw/zinc/36/95/90/842369590.db2.gz UOKJQXHHNVPZQT-OIBXWCBGSA-N 2 1 399.579 3.713 20 0 GHADMP COCCC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cc1 ZINC000278967081 842392142 /nfs/dbraw/zinc/39/21/42/842392142.db2.gz NBUKAKLRCAKNJQ-CRAIPNDOSA-N 2 1 392.341 3.966 20 0 GHADMP Brc1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166862654 842405921 /nfs/dbraw/zinc/40/59/21/842405921.db2.gz JPZVVQSFSWUISQ-VQTJNVASSA-N 2 1 392.385 3.630 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000432414292 842422954 /nfs/dbraw/zinc/42/29/54/842422954.db2.gz KKRKNXLBLRONGM-UXHICEINSA-N 2 1 384.568 3.949 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1-c1cc(C)ccc1C ZINC000432414292 842422958 /nfs/dbraw/zinc/42/29/58/842422958.db2.gz KKRKNXLBLRONGM-UXHICEINSA-N 2 1 384.568 3.949 20 0 GHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512089037 842457148 /nfs/dbraw/zinc/45/71/48/842457148.db2.gz QTRYCZYLTNWXRT-HNNXBMFYSA-N 2 1 378.973 3.783 20 0 GHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(Br)c(C)nn1C ZINC000279056855 842523669 /nfs/dbraw/zinc/52/36/69/842523669.db2.gz DWDULARWZHCJHC-UHFFFAOYSA-N 2 1 379.346 3.623 20 0 GHADMP Cc1ccc(CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000430683855 842531087 /nfs/dbraw/zinc/53/10/87/842531087.db2.gz YAYROMRHXWKCFE-UHFFFAOYSA-N 2 1 399.623 3.891 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)C[C@H](C)O1 ZINC000512187529 842838926 /nfs/dbraw/zinc/83/89/26/842838926.db2.gz QSYGUTNSDPLTDM-IYBDPMFKSA-N 2 1 390.959 3.548 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)C[C@H](C)O1 ZINC000512187529 842838934 /nfs/dbraw/zinc/83/89/34/842838934.db2.gz QSYGUTNSDPLTDM-IYBDPMFKSA-N 2 1 390.959 3.548 20 0 GHADMP CCCOc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC ZINC000512188303 842842675 /nfs/dbraw/zinc/84/26/75/842842675.db2.gz YCYSOOIQAKSBEG-KDURUIRLSA-N 2 1 390.568 3.805 20 0 GHADMP COc1cccc(C(=O)N2CCC([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CC2)c1 ZINC001167861880 842889230 /nfs/dbraw/zinc/88/92/30/842889230.db2.gz DJWJICNPRIBJBV-XUTJKUGGSA-N 2 1 399.579 3.814 20 0 GHADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000430717313 842890715 /nfs/dbraw/zinc/89/07/15/842890715.db2.gz YMJCCLDFDNOCOB-DWLFOUALSA-N 2 1 387.568 3.652 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662290688 843080681 /nfs/dbraw/zinc/08/06/81/843080681.db2.gz IHGABBWVUYKVSB-MRXNPFEDSA-N 2 1 394.441 3.967 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC(=O)CC[NH+](C)C3CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000548392797 843099456 /nfs/dbraw/zinc/09/94/56/843099456.db2.gz ZZTHIKCTJKKDTR-ISKFKSNPSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)CC[NH+]2C2CC2)c1 ZINC000548392797 843099461 /nfs/dbraw/zinc/09/94/61/843099461.db2.gz ZZTHIKCTJKKDTR-ISKFKSNPSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC(=O)CC[N@@H+](C)C3CCCCC3)CC[NH+]2C2CC2)c1 ZINC000548392797 843099473 /nfs/dbraw/zinc/09/94/73/843099473.db2.gz ZZTHIKCTJKKDTR-ISKFKSNPSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)c1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000663314577 843101170 /nfs/dbraw/zinc/10/11/70/843101170.db2.gz ANUCJFCAYMEVEY-QHCPKHFHSA-N 2 1 379.548 3.797 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662388695 843170034 /nfs/dbraw/zinc/17/00/34/843170034.db2.gz SJDJSJVZYFXUFD-WZONZLPQSA-N 2 1 377.532 3.912 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662388212 843184322 /nfs/dbraw/zinc/18/43/22/843184322.db2.gz KKIYNPKCOCMKLG-MRXNPFEDSA-N 2 1 383.561 3.556 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000178706187 861399312 /nfs/dbraw/zinc/39/93/12/861399312.db2.gz YYPMZNAUUBTTAX-ZIAGYGMSSA-N 2 1 398.429 3.733 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548414022 843306003 /nfs/dbraw/zinc/30/60/03/843306003.db2.gz ZBMDRMOTKRTJCH-HXUWFJFHSA-N 2 1 397.588 3.986 20 0 GHADMP CN(C(=O)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000663368474 843331514 /nfs/dbraw/zinc/33/15/14/843331514.db2.gz FYTQIKZJHSFTTG-JOCHJYFZSA-N 2 1 391.559 3.931 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1 ZINC000432665375 843385420 /nfs/dbraw/zinc/38/54/20/843385420.db2.gz CTBNEPUNHVLKCU-IBGZPJMESA-N 2 1 387.524 3.860 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1NC(C)=O ZINC000165327323 843392087 /nfs/dbraw/zinc/39/20/87/843392087.db2.gz NJFJEEPZSZEIIA-GHTZIAJQSA-N 2 1 395.547 3.869 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1NC(C)=O ZINC000165327323 843392099 /nfs/dbraw/zinc/39/20/99/843392099.db2.gz NJFJEEPZSZEIIA-GHTZIAJQSA-N 2 1 395.547 3.869 20 0 GHADMP O=C(CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCc2ccccc21 ZINC000432672126 843402534 /nfs/dbraw/zinc/40/25/34/843402534.db2.gz SGAIZYXMFKYCBE-NRFANRHFSA-N 2 1 395.572 3.672 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000512349918 843494378 /nfs/dbraw/zinc/49/43/78/843494378.db2.gz CSBDSIOYBYCVQG-YSPNNUNSSA-N 2 1 380.532 3.593 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418661112 843510096 /nfs/dbraw/zinc/51/00/96/843510096.db2.gz PAPUOXDJHISXHG-GMAHTHKFSA-N 2 1 394.563 3.630 20 0 GHADMP CC1(C)CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418684894 843532072 /nfs/dbraw/zinc/53/20/72/843532072.db2.gz YNQJWEAVCNKOSE-JOCHJYFZSA-N 2 1 394.563 3.773 20 0 GHADMP COc1ccccc1-c1nc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)no1 ZINC000276846904 843544711 /nfs/dbraw/zinc/54/47/11/843544711.db2.gz SXBZZWNQOKVDKS-SFHVURJKSA-N 2 1 384.524 3.799 20 0 GHADMP COc1ccccc1-c1nc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000276846904 843544722 /nfs/dbraw/zinc/54/47/22/843544722.db2.gz SXBZZWNQOKVDKS-SFHVURJKSA-N 2 1 384.524 3.799 20 0 GHADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CC1CC[NH+](C)CC1 ZINC000093089145 843662792 /nfs/dbraw/zinc/66/27/92/843662792.db2.gz RCZBXSJGOPYVPM-UHFFFAOYSA-N 2 1 389.547 3.767 20 0 GHADMP Brc1ccc(C[N@@H+](CC[C@@H]2CCCCO2)CCn2ccnc2)o1 ZINC000510874990 843687566 /nfs/dbraw/zinc/68/75/66/843687566.db2.gz SNAJIIPHRUJOHY-HNNXBMFYSA-N 2 1 382.302 3.700 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H]2[C@H](OCc3cccc(C)n3)CC[C@@H]21 ZINC001167821097 843696653 /nfs/dbraw/zinc/69/66/53/843696653.db2.gz AQMXPXJPCNISED-KZKAQZJJSA-N 2 1 389.584 3.649 20 0 GHADMP C(C[NH+]1CCCC2(CCC[N@H+](CCC3CCOCC3)C2)C1)C1CCOCC1 ZINC000433205497 843830109 /nfs/dbraw/zinc/83/01/09/843830109.db2.gz CWXNQTRILFVILX-UHFFFAOYSA-N 2 1 378.601 3.798 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000458262416 844695727 /nfs/dbraw/zinc/69/57/27/844695727.db2.gz YNJIAZYAAHELPF-QFIPXVFZSA-N 2 1 386.584 3.543 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2c(Br)cccc2C(=O)OC)CC1 ZINC000432941611 844696985 /nfs/dbraw/zinc/69/69/85/844696985.db2.gz WKOBMRZORVOXRS-UHFFFAOYSA-N 2 1 397.357 3.790 20 0 GHADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000512617933 844775884 /nfs/dbraw/zinc/77/58/84/844775884.db2.gz HAMVVXSFDZARRW-BHDDXSALSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)s1 ZINC000179206683 861500271 /nfs/dbraw/zinc/50/02/71/861500271.db2.gz BIDJEUADUBIHNT-LBPRGKRZSA-N 2 1 384.343 3.697 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)s1 ZINC000179206695 861501399 /nfs/dbraw/zinc/50/13/99/861501399.db2.gz BIDJEUADUBIHNT-GFCCVEGCSA-N 2 1 384.343 3.697 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512646858 844875695 /nfs/dbraw/zinc/87/56/95/844875695.db2.gz DQMNMHZBIPTTAV-MHMIHQHRSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)[NH+]1CCCCC1 ZINC000729354151 844876118 /nfs/dbraw/zinc/87/61/18/844876118.db2.gz LQEUYERJMQRCTE-FQEVSTJZSA-N 2 1 392.975 3.541 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000512692194 845066783 /nfs/dbraw/zinc/06/67/83/845066783.db2.gz CDFWAEDBRHKZAK-IRXDYDNUSA-N 2 1 385.474 3.576 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000512692193 845066832 /nfs/dbraw/zinc/06/68/32/845066832.db2.gz CDFWAEDBRHKZAK-IAGOWNOFSA-N 2 1 385.474 3.576 20 0 GHADMP CC(C)CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC[NH+](C)CC1 ZINC000509924191 845098140 /nfs/dbraw/zinc/09/81/40/845098140.db2.gz LAGDJATWEOOXIT-HXUWFJFHSA-N 2 1 389.559 3.617 20 0 GHADMP COC(=O)[C@H](C)Oc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000894113933 845212231 /nfs/dbraw/zinc/21/22/31/845212231.db2.gz SIEPXLPUMUNWGP-KRWDZBQOSA-N 2 1 397.519 3.539 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(F)c(F)c1 ZINC000179390364 861561129 /nfs/dbraw/zinc/56/11/29/861561129.db2.gz MMFFUWOKCSQXHX-UHFFFAOYSA-N 2 1 388.462 3.537 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(Cc4ccccc4)CCCCC3)cn2)CC1 ZINC000472036879 845521413 /nfs/dbraw/zinc/52/14/13/845521413.db2.gz FDRWXFBAFZTFCI-UHFFFAOYSA-N 2 1 393.579 3.511 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513494293 845527206 /nfs/dbraw/zinc/52/72/06/845527206.db2.gz HGOJJAZWIPHTFI-UYAOXDASSA-N 2 1 375.520 3.862 20 0 GHADMP CCCN(CC(F)(F)F)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000625327511 861585202 /nfs/dbraw/zinc/58/52/02/861585202.db2.gz YNTCCJCCDHOMCD-IRXDYDNUSA-N 2 1 399.501 3.534 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cc(F)ccc2F)c1)C1CCOCC1 ZINC000102781483 845585314 /nfs/dbraw/zinc/58/53/14/845585314.db2.gz YSXDJKPQNAJLJG-UHFFFAOYSA-N 2 1 390.474 3.744 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433964319 845675047 /nfs/dbraw/zinc/67/50/47/845675047.db2.gz IOMRIVNLYSHJHE-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433964319 845675052 /nfs/dbraw/zinc/67/50/52/845675052.db2.gz IOMRIVNLYSHJHE-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433964319 845675054 /nfs/dbraw/zinc/67/50/54/845675054.db2.gz IOMRIVNLYSHJHE-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)[C@H](C)C1 ZINC000892105660 845815707 /nfs/dbraw/zinc/81/57/07/845815707.db2.gz NFBJZVQRCDMBLP-ACJLOTCBSA-N 2 1 382.346 3.570 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2NC(C)=O)[C@H](C)C1 ZINC000892105660 845815710 /nfs/dbraw/zinc/81/57/10/845815710.db2.gz NFBJZVQRCDMBLP-ACJLOTCBSA-N 2 1 382.346 3.570 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2NC(C)=O)[C@H](C)C1 ZINC000892105660 845815713 /nfs/dbraw/zinc/81/57/13/845815713.db2.gz NFBJZVQRCDMBLP-ACJLOTCBSA-N 2 1 382.346 3.570 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2NC(C)=O)[C@H](C)C1 ZINC000892105660 845815717 /nfs/dbraw/zinc/81/57/17/845815717.db2.gz NFBJZVQRCDMBLP-ACJLOTCBSA-N 2 1 382.346 3.570 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Br)ccc1F ZINC000179509957 861610110 /nfs/dbraw/zinc/61/01/10/861610110.db2.gz ZECYXRTVOIMNNO-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000431316079 845835007 /nfs/dbraw/zinc/83/50/07/845835007.db2.gz BJQCEYZBFCPFQN-AFXVXQJMSA-N 2 1 398.595 3.521 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3c(C4CCC4)cnn3C)cc2)C[C@H](C)O1 ZINC000657301249 845857281 /nfs/dbraw/zinc/85/72/81/845857281.db2.gz XGTUOYDOJCKZBM-HDICACEKSA-N 2 1 382.552 3.587 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000502648096 846313669 /nfs/dbraw/zinc/31/36/69/846313669.db2.gz MEZLDOMORNTTKO-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000657338016 846341065 /nfs/dbraw/zinc/34/10/65/846341065.db2.gz GHCWTBGBTIJYCH-TZIWHRDSSA-N 2 1 386.561 3.918 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)c1 ZINC000657338016 846341074 /nfs/dbraw/zinc/34/10/74/846341074.db2.gz GHCWTBGBTIJYCH-TZIWHRDSSA-N 2 1 386.561 3.918 20 0 GHADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc(C)c1OC(F)F ZINC000513691597 846342537 /nfs/dbraw/zinc/34/25/37/846342537.db2.gz VROMAWULHOKKCF-LJQANCHMSA-N 2 1 381.511 3.507 20 0 GHADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc(C)c1OC(F)F ZINC000513691597 846342552 /nfs/dbraw/zinc/34/25/52/846342552.db2.gz VROMAWULHOKKCF-LJQANCHMSA-N 2 1 381.511 3.507 20 0 GHADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000280348390 846369380 /nfs/dbraw/zinc/36/93/80/846369380.db2.gz REIWJYKAAWLOGJ-DLBZAZTESA-N 2 1 398.551 3.861 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502852455 846546006 /nfs/dbraw/zinc/54/60/06/846546006.db2.gz GHQCIPYNFBBYGW-LZJOCLMNSA-N 2 1 395.950 3.853 20 0 GHADMP CCCn1c(C)cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501045426 846570499 /nfs/dbraw/zinc/57/04/99/846570499.db2.gz MCLSXVQXPZUMMQ-UHFFFAOYSA-N 2 1 382.552 3.941 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000502896273 846589834 /nfs/dbraw/zinc/58/98/34/846589834.db2.gz UJJCUGDIWGLUEY-RBBKRZOGSA-N 2 1 386.584 3.777 20 0 GHADMP COC(=O)[C@@H](c1cccc(Cl)c1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501069058 846599074 /nfs/dbraw/zinc/59/90/74/846599074.db2.gz OHGOWPKUPFBVKU-HXUWFJFHSA-N 2 1 387.911 3.798 20 0 GHADMP COC(=O)[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501069058 846599078 /nfs/dbraw/zinc/59/90/78/846599078.db2.gz OHGOWPKUPFBVKU-HXUWFJFHSA-N 2 1 387.911 3.798 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000684798329 846661205 /nfs/dbraw/zinc/66/12/05/846661205.db2.gz RGTYLTVGHGZPDQ-OAQYLSRUSA-N 2 1 384.568 3.520 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)[nH+]c1 ZINC000684798329 846661209 /nfs/dbraw/zinc/66/12/09/846661209.db2.gz RGTYLTVGHGZPDQ-OAQYLSRUSA-N 2 1 384.568 3.520 20 0 GHADMP CCC(CC)(CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000502960635 846664885 /nfs/dbraw/zinc/66/48/85/846664885.db2.gz OKDFUUCITAYQOH-HMXCVIKNSA-N 2 1 386.584 3.822 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501160965 846691016 /nfs/dbraw/zinc/69/10/16/846691016.db2.gz DBJJERWJRDQKSU-YQVWRLOYSA-N 2 1 380.602 3.551 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@H](C)C1 ZINC000503031023 846725451 /nfs/dbraw/zinc/72/54/51/846725451.db2.gz IBAWYBMDQPJPBL-ABAIWWIYSA-N 2 1 392.712 3.765 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@H](C)C1 ZINC000503031023 846725461 /nfs/dbraw/zinc/72/54/61/846725461.db2.gz IBAWYBMDQPJPBL-ABAIWWIYSA-N 2 1 392.712 3.765 20 0 GHADMP C[N@@H+](CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCCCC1 ZINC000501583286 847024958 /nfs/dbraw/zinc/02/49/58/847024958.db2.gz UQUNOFNSBDPKIL-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272336867 847053027 /nfs/dbraw/zinc/05/30/27/847053027.db2.gz BABPUNHAFAZSEI-WWNPGLIZSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000420296903 847097102 /nfs/dbraw/zinc/09/71/02/847097102.db2.gz CONSBVWZHQXGIS-IBGZPJMESA-N 2 1 396.510 3.831 20 0 GHADMP C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272613614 847125509 /nfs/dbraw/zinc/12/55/09/847125509.db2.gz WVAWKBQMGYFEEH-MJGOQNOKSA-N 2 1 383.502 3.903 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000420332982 847128747 /nfs/dbraw/zinc/12/87/47/847128747.db2.gz DUBSTKRTYQRZDX-QFIPXVFZSA-N 2 1 377.532 3.680 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000431405615 847178969 /nfs/dbraw/zinc/17/89/69/847178969.db2.gz XJBBJDNGRQZRDU-ARFHVFGLSA-N 2 1 379.511 3.522 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000501840631 847272703 /nfs/dbraw/zinc/27/27/03/847272703.db2.gz LIOQGCXWMRWQHU-PNYFIKQUSA-N 2 1 390.572 3.661 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420809907 847448484 /nfs/dbraw/zinc/44/84/84/847448484.db2.gz VFRWGTLNYYXHTM-OSFYOIPJSA-N 2 1 386.584 3.591 20 0 GHADMP OCCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000420933371 847552091 /nfs/dbraw/zinc/55/20/91/847552091.db2.gz IJZOTSRAARFUNN-UHFFFAOYSA-N 2 1 388.939 3.557 20 0 GHADMP OCCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000420933371 847552095 /nfs/dbraw/zinc/55/20/95/847552095.db2.gz IJZOTSRAARFUNN-UHFFFAOYSA-N 2 1 388.939 3.557 20 0 GHADMP CC1(C)CCc2cc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)ccc2O1 ZINC000731675130 861804716 /nfs/dbraw/zinc/80/47/16/861804716.db2.gz JZOYPVJKMHCLNX-UHFFFAOYSA-N 2 1 380.532 3.912 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000420981674 847587883 /nfs/dbraw/zinc/58/78/83/847587883.db2.gz NKTWPCDWXFWYSZ-UHFFFAOYSA-N 2 1 398.364 3.580 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000420981674 847587888 /nfs/dbraw/zinc/58/78/88/847587888.db2.gz NKTWPCDWXFWYSZ-UHFFFAOYSA-N 2 1 398.364 3.580 20 0 GHADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OCc1c(C)noc1C ZINC000048750368 847698611 /nfs/dbraw/zinc/69/86/11/847698611.db2.gz VMEVJBJTEJCQJR-UHFFFAOYSA-N 2 1 384.480 3.564 20 0 GHADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422697942 847771930 /nfs/dbraw/zinc/77/19/30/847771930.db2.gz WXYPIUMUPDAFCJ-VWNXMTODSA-N 2 1 379.548 3.874 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000237129703 847807303 /nfs/dbraw/zinc/80/73/03/847807303.db2.gz OVPJUIGAOGWVCM-UHFFFAOYSA-N 2 1 396.560 3.801 20 0 GHADMP CC[NH+](CC)Cc1ccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422793240 847838913 /nfs/dbraw/zinc/83/89/13/847838913.db2.gz WSYMUWOMFADPSC-UPVQGACJSA-N 2 1 379.548 3.874 20 0 GHADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422835217 847846563 /nfs/dbraw/zinc/84/65/63/847846563.db2.gz YHOJCKLFDVGWEO-YOEHRIQHSA-N 2 1 382.426 3.684 20 0 GHADMP CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422889423 847872773 /nfs/dbraw/zinc/87/27/73/847872773.db2.gz PLZWEQDYMNBFEW-NJDAHSKKSA-N 2 1 392.609 3.658 20 0 GHADMP COc1ccc([C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423090891 847975284 /nfs/dbraw/zinc/97/52/84/847975284.db2.gz YTFMDYRNIYLRNE-HUVFLSCGSA-N 2 1 379.548 3.600 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Sc4ccccn4)o3)cc2)C1 ZINC000657597299 848282233 /nfs/dbraw/zinc/28/22/33/848282233.db2.gz SOZUUUWBKYWSQO-LJQANCHMSA-N 2 1 395.528 3.682 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000472269578 848533917 /nfs/dbraw/zinc/53/39/17/848533917.db2.gz WVKUXUUPUIDKHY-RBUKOAKNSA-N 2 1 375.557 3.570 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000472269578 848533923 /nfs/dbraw/zinc/53/39/23/848533923.db2.gz WVKUXUUPUIDKHY-RBUKOAKNSA-N 2 1 375.557 3.570 20 0 GHADMP COc1cccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1OC ZINC000582927142 848710098 /nfs/dbraw/zinc/71/00/98/848710098.db2.gz SQGQNMDIRMLZCM-UHFFFAOYSA-N 2 1 386.511 3.682 20 0 GHADMP COc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000162234161 848870424 /nfs/dbraw/zinc/87/04/24/848870424.db2.gz KCFNTLAAPCZQDI-MRXNPFEDSA-N 2 1 384.524 3.739 20 0 GHADMP COCc1cc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1OC ZINC000162289755 848882166 /nfs/dbraw/zinc/88/21/66/848882166.db2.gz ITURFSPNMBIIFD-INIZCTEOSA-N 2 1 384.524 3.568 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000180106981 861956369 /nfs/dbraw/zinc/95/63/69/861956369.db2.gz DXIUWCXERXWSKQ-RTBURBONSA-N 2 1 381.358 3.727 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000600441777 861969834 /nfs/dbraw/zinc/96/98/34/861969834.db2.gz NKHRVXXBILEQFL-PMACEKPBSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000600441777 861969839 /nfs/dbraw/zinc/96/98/39/861969839.db2.gz NKHRVXXBILEQFL-PMACEKPBSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000600441777 861969851 /nfs/dbraw/zinc/96/98/51/861969851.db2.gz NKHRVXXBILEQFL-PMACEKPBSA-N 2 1 387.568 3.544 20 0 GHADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000535944973 849198713 /nfs/dbraw/zinc/19/87/13/849198713.db2.gz DCMPAQRPXQQMDG-APWZRJJASA-N 2 1 380.458 3.920 20 0 GHADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000535944973 849198717 /nfs/dbraw/zinc/19/87/17/849198717.db2.gz DCMPAQRPXQQMDG-APWZRJJASA-N 2 1 380.458 3.920 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066998 849290303 /nfs/dbraw/zinc/29/03/03/849290303.db2.gz BUZBAWLOMKOWFG-QPPBQGQZSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066998 849290309 /nfs/dbraw/zinc/29/03/09/849290309.db2.gz BUZBAWLOMKOWFG-QPPBQGQZSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066998 849290315 /nfs/dbraw/zinc/29/03/15/849290315.db2.gz BUZBAWLOMKOWFG-QPPBQGQZSA-N 3 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000092066998 849290323 /nfs/dbraw/zinc/29/03/23/849290323.db2.gz BUZBAWLOMKOWFG-QPPBQGQZSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000092066998 849290330 /nfs/dbraw/zinc/29/03/30/849290330.db2.gz BUZBAWLOMKOWFG-QPPBQGQZSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066998 849290340 /nfs/dbraw/zinc/29/03/40/849290340.db2.gz BUZBAWLOMKOWFG-QPPBQGQZSA-N 2 1 383.580 3.610 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066998 849290346 /nfs/dbraw/zinc/29/03/46/849290346.db2.gz BUZBAWLOMKOWFG-QPPBQGQZSA-N 2 1 383.580 3.610 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000154877762 849392745 /nfs/dbraw/zinc/39/27/45/849392745.db2.gz DCKAZUIFFYYQOM-YKSBVNFPSA-N 2 1 380.580 3.922 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414853193 849758480 /nfs/dbraw/zinc/75/84/80/849758480.db2.gz SEDNDHCWNHMEMH-GUYCJALGSA-N 2 1 387.446 3.800 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000423340652 849874617 /nfs/dbraw/zinc/87/46/17/849874617.db2.gz SUSAEWFXFMUOOV-WTNAPCKOSA-N 2 1 398.547 3.687 20 0 GHADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423397407 849901260 /nfs/dbraw/zinc/90/12/60/849901260.db2.gz SSVZZJOEEHMXMG-CNNODRBYSA-N 2 1 386.561 3.656 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423834964 850069418 /nfs/dbraw/zinc/06/94/18/850069418.db2.gz VACYKOZMHOHQNB-DLPLYFIVSA-N 2 1 387.474 3.938 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000423834964 850069428 /nfs/dbraw/zinc/06/94/28/850069428.db2.gz VACYKOZMHOHQNB-DLPLYFIVSA-N 2 1 387.474 3.938 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000439592154 850171215 /nfs/dbraw/zinc/17/12/15/850171215.db2.gz GNKKWYPJKZEDNM-QHCPKHFHSA-N 2 1 389.499 3.807 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000486912458 850228670 /nfs/dbraw/zinc/22/86/70/850228670.db2.gz UPJBIGJQIITCFL-FPOVZHCZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964900 850255082 /nfs/dbraw/zinc/25/50/82/850255082.db2.gz ZVKJEZBJMQGJFK-NXEWRWPSSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Br)c3c(c1)OCCCO3)CC[NH2+]CC2 ZINC000424373089 850412765 /nfs/dbraw/zinc/41/27/65/850412765.db2.gz GOWYADUPWPGLRL-AWEZNQCLSA-N 2 1 395.341 3.574 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc4ccc(C)cc4s3)CC2)CC1 ZINC000515006835 850576964 /nfs/dbraw/zinc/57/69/64/850576964.db2.gz XHCALWXBAZIYSK-UHFFFAOYSA-N 2 1 386.565 3.740 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000440008900 850696426 /nfs/dbraw/zinc/69/64/26/850696426.db2.gz YOOLWAJITYMHSQ-KNQAVFIVSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440008900 850696433 /nfs/dbraw/zinc/69/64/33/850696433.db2.gz YOOLWAJITYMHSQ-KNQAVFIVSA-N 2 1 375.601 3.897 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440008900 850696436 /nfs/dbraw/zinc/69/64/36/850696436.db2.gz YOOLWAJITYMHSQ-KNQAVFIVSA-N 2 1 375.601 3.897 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000555904930 862164583 /nfs/dbraw/zinc/16/45/83/862164583.db2.gz OCBJCKHJLQHIQC-NRFANRHFSA-N 2 1 393.575 3.974 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccc(Cl)cc1 ZINC000515219779 850801785 /nfs/dbraw/zinc/80/17/85/850801785.db2.gz ITQMJNBKSFJAPR-WOJBJXKFSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H]1c1ccc(Cl)cc1 ZINC000515219779 850801796 /nfs/dbraw/zinc/80/17/96/850801796.db2.gz ITQMJNBKSFJAPR-WOJBJXKFSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000440145326 850830871 /nfs/dbraw/zinc/83/08/71/850830871.db2.gz NULVEZQSDDWEAW-HSZRJFAPSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440145326 850830875 /nfs/dbraw/zinc/83/08/75/850830875.db2.gz NULVEZQSDDWEAW-HSZRJFAPSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440145326 850830881 /nfs/dbraw/zinc/83/08/81/850830881.db2.gz NULVEZQSDDWEAW-HSZRJFAPSA-N 2 1 383.580 3.764 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425032418 850853255 /nfs/dbraw/zinc/85/32/55/850853255.db2.gz CBFCSZJNDAZKFR-KRWDZBQOSA-N 2 1 386.565 3.931 20 0 GHADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC000415009959 850946667 /nfs/dbraw/zinc/94/66/67/850946667.db2.gz UJCVLGBTWQGWRH-AYOQOUSVSA-N 2 1 375.513 3.617 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891887 850983647 /nfs/dbraw/zinc/98/36/47/850983647.db2.gz NWAUPDDJYADQRC-FPOVZHCZSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@@H](N[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000487911878 850984452 /nfs/dbraw/zinc/98/44/52/850984452.db2.gz GGTOATBJPAJVSD-AOIWGVFYSA-N 2 1 385.939 3.770 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000487911878 850984468 /nfs/dbraw/zinc/98/44/68/850984468.db2.gz GGTOATBJPAJVSD-AOIWGVFYSA-N 2 1 385.939 3.770 20 0 GHADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCCCC1 ZINC000513911668 851013416 /nfs/dbraw/zinc/01/34/16/851013416.db2.gz SCRCELFGECCUIS-OAQYLSRUSA-N 2 1 385.596 3.915 20 0 GHADMP CC[C@@H](C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000519432637 851061279 /nfs/dbraw/zinc/06/12/79/851061279.db2.gz USCHIBZLUVNQLG-LEWJYISDSA-N 2 1 383.536 3.752 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000667944797 862203008 /nfs/dbraw/zinc/20/30/08/862203008.db2.gz FDLBHXWAULLGJQ-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168374131 851121282 /nfs/dbraw/zinc/12/12/82/851121282.db2.gz WORAAUDKTNRTBR-UHFFFAOYSA-N 2 1 381.486 3.697 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514025999 851161021 /nfs/dbraw/zinc/16/10/21/851161021.db2.gz BOKXZZIPOKBDCP-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000514076288 851200320 /nfs/dbraw/zinc/20/03/20/851200320.db2.gz VYZCLYSPAIDXCO-UHFFFAOYSA-N 2 1 396.373 3.832 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000514063744 851205640 /nfs/dbraw/zinc/20/56/40/851205640.db2.gz HCUHCOAMFJVLEU-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000488164504 851218274 /nfs/dbraw/zinc/21/82/74/851218274.db2.gz GZDUDDYGRSLXNZ-FQEVSTJZSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000434544911 851263214 /nfs/dbraw/zinc/26/32/14/851263214.db2.gz PVDUTGADEVWAKK-PKOBYXMFSA-N 2 1 377.598 3.882 20 0 GHADMP C[C@@H](CC1CCOCC1)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000434544911 851263226 /nfs/dbraw/zinc/26/32/26/851263226.db2.gz PVDUTGADEVWAKK-PKOBYXMFSA-N 2 1 377.598 3.882 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c[nH]nc3-c3ccsc3)c2)CCO1 ZINC000436281586 851403093 /nfs/dbraw/zinc/40/30/93/851403093.db2.gz QAWLPHQFHIWQIY-INIZCTEOSA-N 2 1 382.533 3.649 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c[nH]nc3-c3ccsc3)c2)CCO1 ZINC000436281586 851403099 /nfs/dbraw/zinc/40/30/99/851403099.db2.gz QAWLPHQFHIWQIY-INIZCTEOSA-N 2 1 382.533 3.649 20 0 GHADMP CC[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000488322523 851408536 /nfs/dbraw/zinc/40/85/36/851408536.db2.gz JHSSPWLNBHABDY-FQEVSTJZSA-N 2 1 377.960 3.715 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000488372715 851438524 /nfs/dbraw/zinc/43/85/24/851438524.db2.gz AFSPXZBNWVEFEO-UHFFFAOYSA-N 2 1 383.536 3.867 20 0 GHADMP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434677314 851474691 /nfs/dbraw/zinc/47/46/91/851474691.db2.gz WHCJHOORQXOYCM-OAQYLSRUSA-N 2 1 397.563 3.962 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000436344031 851490811 /nfs/dbraw/zinc/49/08/11/851490811.db2.gz KVIWLJKLZGVPLX-HXUWFJFHSA-N 2 1 388.556 3.546 20 0 GHADMP CCN1CCC[C@@H](C[N@@H+](C)CCc2cccc(F)c2F)[C@@H]1c1cnn(C)c1 ZINC000434733551 851554118 /nfs/dbraw/zinc/55/41/18/851554118.db2.gz BLGCSUSXDGKUGK-LAUBAEHRSA-N 2 1 376.495 3.646 20 0 GHADMP Cc1cncc(CC[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664835699 851792240 /nfs/dbraw/zinc/79/22/40/851792240.db2.gz GDPMMDWARVRCKN-QHCPKHFHSA-N 2 1 378.564 3.950 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)s2)cc1OC ZINC000425948127 852031675 /nfs/dbraw/zinc/03/16/75/852031675.db2.gz AEWKFQJOMRGMOS-HUUCEWRRSA-N 2 1 391.581 3.908 20 0 GHADMP c1[nH]nc2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)ccc12 ZINC000550270747 852240631 /nfs/dbraw/zinc/24/06/31/852240631.db2.gz AZJSAKJDEBFGLT-JOCHJYFZSA-N 2 1 390.531 3.581 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OC(C)(C)C ZINC000438483651 852460630 /nfs/dbraw/zinc/46/06/30/852460630.db2.gz NQGHCQCGKVHETG-SFHVURJKSA-N 2 1 390.572 3.744 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000489604110 852481678 /nfs/dbraw/zinc/48/16/78/852481678.db2.gz MOYJACKFJRTTQJ-HMXCVIKNSA-N 2 1 388.600 3.563 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCc3ccc(F)c(F)c3)CC2)CC1 ZINC000489916662 852643103 /nfs/dbraw/zinc/64/31/03/852643103.db2.gz WRWUXWHEKKBLJB-UHFFFAOYSA-N 2 1 379.539 3.635 20 0 GHADMP C[N@@H+](CCc1ccc(F)c(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000489916662 852643108 /nfs/dbraw/zinc/64/31/08/852643108.db2.gz WRWUXWHEKKBLJB-UHFFFAOYSA-N 3 1 379.539 3.635 20 0 GHADMP C[N@H+](CCc1ccc(F)c(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000489916662 852643110 /nfs/dbraw/zinc/64/31/10/852643110.db2.gz WRWUXWHEKKBLJB-UHFFFAOYSA-N 3 1 379.539 3.635 20 0 GHADMP Cc1ccccc1[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000507203000 852653565 /nfs/dbraw/zinc/65/35/65/852653565.db2.gz IJDPEVWXWSTAEX-QHCPKHFHSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506311255 852666882 /nfs/dbraw/zinc/66/68/82/852666882.db2.gz VQXIVTFUJNNMMC-RXVVDRJESA-N 2 1 396.535 3.584 20 0 GHADMP COc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000490005056 852699973 /nfs/dbraw/zinc/69/99/73/852699973.db2.gz OBJPZNCFSKPWGH-FQEVSTJZSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000490005056 852699977 /nfs/dbraw/zinc/69/99/77/852699977.db2.gz OBJPZNCFSKPWGH-FQEVSTJZSA-N 2 1 384.520 3.986 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(F)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167961748 852775294 /nfs/dbraw/zinc/77/52/94/852775294.db2.gz PGXOZCMVFUUZLI-YQQQUEKLSA-N 2 1 395.563 3.721 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(F)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167961748 852775297 /nfs/dbraw/zinc/77/52/97/852775297.db2.gz PGXOZCMVFUUZLI-YQQQUEKLSA-N 2 1 395.563 3.721 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC[NH2+]1 ZINC000414944919 852781360 /nfs/dbraw/zinc/78/13/60/852781360.db2.gz HPTPWOMANWZQIY-YOEHRIQHSA-N 2 1 390.325 3.653 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000507399209 852863247 /nfs/dbraw/zinc/86/32/47/852863247.db2.gz AYNPRVRPILSEDH-FQEVSTJZSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490278228 852913359 /nfs/dbraw/zinc/91/33/59/852913359.db2.gz WJILBGKXMABMKV-VQIMIIECSA-N 2 1 391.357 3.536 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490278228 852913363 /nfs/dbraw/zinc/91/33/63/852913363.db2.gz WJILBGKXMABMKV-VQIMIIECSA-N 2 1 391.357 3.536 20 0 GHADMP CCCOc1c(Br)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000516970159 853213074 /nfs/dbraw/zinc/21/30/74/853213074.db2.gz AILADHXWCFZNNQ-IYBDPMFKSA-N 2 1 397.357 3.678 20 0 GHADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)COCc1ccccc1 ZINC000623828064 862442524 /nfs/dbraw/zinc/44/25/24/862442524.db2.gz HSBDUGAGOHTVTA-DNQXCXABSA-N 2 1 394.559 3.741 20 0 GHADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)COCc1ccccc1 ZINC000623828064 862442531 /nfs/dbraw/zinc/44/25/31/862442531.db2.gz HSBDUGAGOHTVTA-DNQXCXABSA-N 2 1 394.559 3.741 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc(OC)c1OCc1ccccc1 ZINC000414980042 853258675 /nfs/dbraw/zinc/25/86/75/853258675.db2.gz WETZTJHUMKXSHR-NRFANRHFSA-N 2 1 384.520 3.761 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483943 853266604 /nfs/dbraw/zinc/26/66/04/853266604.db2.gz CZEROTNUDBMINQ-OALUTQOASA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483943 853266610 /nfs/dbraw/zinc/26/66/10/853266610.db2.gz CZEROTNUDBMINQ-OALUTQOASA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483943 853266615 /nfs/dbraw/zinc/26/66/15/853266615.db2.gz CZEROTNUDBMINQ-OALUTQOASA-N 2 1 391.987 3.933 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000440543146 853342567 /nfs/dbraw/zinc/34/25/67/853342567.db2.gz AAPVNVOGCXPJKO-GOTSBHOMSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490991169 853391926 /nfs/dbraw/zinc/39/19/26/853391926.db2.gz AFCUNSZEHOVDPP-OFNKIYASSA-N 2 1 387.612 3.711 20 0 GHADMP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055699 853429059 /nfs/dbraw/zinc/42/90/59/853429059.db2.gz ANFNGHSHDUJAJA-RTBURBONSA-N 2 1 380.960 3.668 20 0 GHADMP O[C@@H](COc1ccccc1Cl)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055699 853429065 /nfs/dbraw/zinc/42/90/65/853429065.db2.gz ANFNGHSHDUJAJA-RTBURBONSA-N 2 1 380.960 3.668 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055854 853429905 /nfs/dbraw/zinc/42/99/05/853429905.db2.gz BEGWBRXXEJGQGI-ICSRJNTNSA-N 2 1 380.960 3.668 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055854 853429909 /nfs/dbraw/zinc/42/99/09/853429909.db2.gz BEGWBRXXEJGQGI-ICSRJNTNSA-N 2 1 380.960 3.668 20 0 GHADMP C[C@H](NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000518543608 853480541 /nfs/dbraw/zinc/48/05/41/853480541.db2.gz OGIOCOCIJDDOPU-ZCVJKFOLSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000518543608 853480550 /nfs/dbraw/zinc/48/05/50/853480550.db2.gz OGIOCOCIJDDOPU-ZCVJKFOLSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000518543608 853480554 /nfs/dbraw/zinc/48/05/54/853480554.db2.gz OGIOCOCIJDDOPU-ZCVJKFOLSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604781534 862477083 /nfs/dbraw/zinc/47/70/83/862477083.db2.gz OQCXECIOVFUULL-RTWAWAEBSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000604785372 862480413 /nfs/dbraw/zinc/48/04/13/862480413.db2.gz HMKMCYAWCPSAFS-VAMGGRTRSA-N 2 1 386.584 3.774 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998535 853649972 /nfs/dbraw/zinc/64/99/72/853649972.db2.gz ICTZAUNZQPDNJA-KXHCOYLBSA-N 2 1 381.539 3.944 20 0 GHADMP COc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167964582 853678170 /nfs/dbraw/zinc/67/81/70/853678170.db2.gz TZDGZBWECPPOFX-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP COc1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167964582 853678179 /nfs/dbraw/zinc/67/81/79/853678179.db2.gz TZDGZBWECPPOFX-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP COc1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167964582 853678187 /nfs/dbraw/zinc/67/81/87/853678187.db2.gz TZDGZBWECPPOFX-NOTZXAQLSA-N 2 1 383.580 3.655 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623887828 862500258 /nfs/dbraw/zinc/50/02/58/862500258.db2.gz PCTFXNAJKYBCMO-AWEZNQCLSA-N 2 1 375.454 3.769 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC[C@H]21 ZINC001167988990 853798679 /nfs/dbraw/zinc/79/86/79/853798679.db2.gz WGFWRRUHTQXJHZ-XAAMQAMVSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@H]21 ZINC001167988990 853798687 /nfs/dbraw/zinc/79/86/87/853798687.db2.gz WGFWRRUHTQXJHZ-XAAMQAMVSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@H]21 ZINC001167988990 853798714 /nfs/dbraw/zinc/79/87/14/853798714.db2.gz WGFWRRUHTQXJHZ-XAAMQAMVSA-N 2 1 389.584 3.723 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891163 862504899 /nfs/dbraw/zinc/50/48/99/862504899.db2.gz GCFBNZAXNBJKIB-OLZOCXBDSA-N 2 1 391.300 3.615 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[NH+](C)C)cc1 ZINC000520108721 853851602 /nfs/dbraw/zinc/85/16/02/853851602.db2.gz TXENBHPEDWVNAY-GMAHTHKFSA-N 2 1 397.538 3.765 20 0 GHADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000520166209 853919498 /nfs/dbraw/zinc/91/94/98/853919498.db2.gz IKOAXTNCALZSSB-FQEVSTJZSA-N 2 1 387.543 3.515 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000164411617 854003378 /nfs/dbraw/zinc/00/33/78/854003378.db2.gz IOAZJTURZREWTI-QGZVFWFLSA-N 2 1 390.549 3.741 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000164411617 854003384 /nfs/dbraw/zinc/00/33/84/854003384.db2.gz IOAZJTURZREWTI-QGZVFWFLSA-N 2 1 390.549 3.741 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cn3ccc(-c4ccc(Br)cc4)n3)CC[C@@H]21 ZINC000164609581 854093171 /nfs/dbraw/zinc/09/31/71/854093171.db2.gz SSQRURSZFHGMTL-APWZRJJASA-N 2 1 389.341 3.686 20 0 GHADMP CSc1ccc(OCC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000441317441 854093452 /nfs/dbraw/zinc/09/34/52/854093452.db2.gz KMQXKJWFBDKLGU-UHFFFAOYSA-N 2 1 399.604 3.537 20 0 GHADMP CSc1ccc(OCC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000441317441 854093462 /nfs/dbraw/zinc/09/34/62/854093462.db2.gz KMQXKJWFBDKLGU-UHFFFAOYSA-N 2 1 399.604 3.537 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000441330087 854117225 /nfs/dbraw/zinc/11/72/25/854117225.db2.gz LDFXRWDTDNOWIU-HZPDHXFCSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000441330087 854117228 /nfs/dbraw/zinc/11/72/28/854117228.db2.gz LDFXRWDTDNOWIU-HZPDHXFCSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000441330087 854117232 /nfs/dbraw/zinc/11/72/32/854117232.db2.gz LDFXRWDTDNOWIU-HZPDHXFCSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000441330087 854117236 /nfs/dbraw/zinc/11/72/36/854117236.db2.gz LDFXRWDTDNOWIU-HZPDHXFCSA-N 2 1 375.340 3.539 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000571805428 854161220 /nfs/dbraw/zinc/16/12/20/854161220.db2.gz BZNBGXGNDCVKGY-HXUWFJFHSA-N 2 1 396.531 3.872 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000571805428 854161226 /nfs/dbraw/zinc/16/12/26/854161226.db2.gz BZNBGXGNDCVKGY-HXUWFJFHSA-N 2 1 396.531 3.872 20 0 GHADMP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000571930681 854255841 /nfs/dbraw/zinc/25/58/41/854255841.db2.gz PXGFREIDEHUQQF-JOCHJYFZSA-N 2 1 381.520 3.826 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)CC[N@H+]1C ZINC000638949162 854402540 /nfs/dbraw/zinc/40/25/40/854402540.db2.gz YROTWGYWMABMIM-GCJKJVERSA-N 2 1 375.520 3.566 20 0 GHADMP CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000473962756 854428144 /nfs/dbraw/zinc/42/81/44/854428144.db2.gz GMJADBBFNJZXDA-NNMXDRDESA-N 2 1 397.567 3.695 20 0 GHADMP CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473962756 854428152 /nfs/dbraw/zinc/42/81/52/854428152.db2.gz GMJADBBFNJZXDA-NNMXDRDESA-N 2 1 397.567 3.695 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000572493435 854523344 /nfs/dbraw/zinc/52/33/44/854523344.db2.gz DMRRQXZCEYVAML-LEWJYISDSA-N 2 1 391.987 3.614 20 0 GHADMP COC1CC[NH+](C2(CN[C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CCCC2)CC1 ZINC000572467965 854537083 /nfs/dbraw/zinc/53/70/83/854537083.db2.gz PZOCXBAHRWBKSH-GGAORHGYSA-N 2 1 385.596 3.835 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC1 ZINC000068777011 854622892 /nfs/dbraw/zinc/62/28/92/854622892.db2.gz GUEGBZHGIMRUME-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000068777011 854622898 /nfs/dbraw/zinc/62/28/98/854622898.db2.gz GUEGBZHGIMRUME-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000068777011 854622902 /nfs/dbraw/zinc/62/29/02/854622902.db2.gz GUEGBZHGIMRUME-UHFFFAOYSA-N 2 1 379.548 3.875 20 0 GHADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000589317532 854807141 /nfs/dbraw/zinc/80/71/41/854807141.db2.gz QDYKAXMNCQTIFT-QHCPKHFHSA-N 2 1 389.543 3.910 20 0 GHADMP Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482036452 862628536 /nfs/dbraw/zinc/62/85/36/862628536.db2.gz NMLJFWZJDNVQRD-UHFFFAOYSA-N 2 1 394.563 3.596 20 0 GHADMP Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482036452 862628547 /nfs/dbraw/zinc/62/85/47/862628547.db2.gz NMLJFWZJDNVQRD-UHFFFAOYSA-N 2 1 394.563 3.596 20 0 GHADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998846 855221057 /nfs/dbraw/zinc/22/10/57/855221057.db2.gz ZRPUCAODBJAWQU-QHAWAJNXSA-N 2 1 385.596 3.723 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]21 ZINC001168001883 855530510 /nfs/dbraw/zinc/53/05/10/855530510.db2.gz JXTNJUSRUYHSNV-YCRDUGMLSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001168001883 855530511 /nfs/dbraw/zinc/53/05/11/855530511.db2.gz JXTNJUSRUYHSNV-YCRDUGMLSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]21 ZINC001168001883 855530514 /nfs/dbraw/zinc/53/05/14/855530514.db2.gz JXTNJUSRUYHSNV-YCRDUGMLSA-N 2 1 389.584 3.627 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000590786952 855585668 /nfs/dbraw/zinc/58/56/68/855585668.db2.gz ZSIHYDHIKZASCJ-OAQYLSRUSA-N 2 1 376.585 3.776 20 0 GHADMP CC(C)[NH+](CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000591092212 855757893 /nfs/dbraw/zinc/75/78/93/855757893.db2.gz OCOBMOSETFBDAT-FQEVSTJZSA-N 2 1 389.584 3.788 20 0 GHADMP CC(C)(CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000108413431 855868517 /nfs/dbraw/zinc/86/85/17/855868517.db2.gz KYLLFUZLVAQNJE-UHFFFAOYSA-N 2 1 378.605 3.549 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000482148781 862745044 /nfs/dbraw/zinc/74/50/44/862745044.db2.gz HJHYKEOXRCYATH-GBESFXJTSA-N 2 1 375.557 3.903 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168562760 856062444 /nfs/dbraw/zinc/06/24/44/856062444.db2.gz SDAKSIGMBJHNOL-HZPDHXFCSA-N 2 1 393.494 3.590 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536461445 856147858 /nfs/dbraw/zinc/14/78/58/856147858.db2.gz ZYEYMHHSYYLTFX-APWZRJJASA-N 2 1 398.954 3.503 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536461445 856147863 /nfs/dbraw/zinc/14/78/63/856147863.db2.gz ZYEYMHHSYYLTFX-APWZRJJASA-N 2 1 398.954 3.503 20 0 GHADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536461445 856147864 /nfs/dbraw/zinc/14/78/64/856147864.db2.gz ZYEYMHHSYYLTFX-APWZRJJASA-N 2 1 398.954 3.503 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@@H]1CCc2ccccc21 ZINC000674308629 856156718 /nfs/dbraw/zinc/15/67/18/856156718.db2.gz NAOSPBDBZQLTQW-QFIPXVFZSA-N 2 1 397.607 3.761 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000536482412 856205326 /nfs/dbraw/zinc/20/53/26/856205326.db2.gz OODIAEIGVSMTDD-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843695 856235702 /nfs/dbraw/zinc/23/57/02/856235702.db2.gz LJPPDOQQDFOIOY-UHFFFAOYSA-N 2 1 395.547 3.786 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843695 856235708 /nfs/dbraw/zinc/23/57/08/856235708.db2.gz LJPPDOQQDFOIOY-UHFFFAOYSA-N 2 1 395.547 3.786 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3nc4ccccc4n3C)C2)s1 ZINC000573497285 856260357 /nfs/dbraw/zinc/26/03/57/856260357.db2.gz WJOYYVZTTDBXAP-GOSISDBHSA-N 2 1 382.577 3.940 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCc3nc4ccccc4n3C)C2)s1 ZINC000573497285 856260371 /nfs/dbraw/zinc/26/03/71/856260371.db2.gz WJOYYVZTTDBXAP-GOSISDBHSA-N 2 1 382.577 3.940 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCc3nc4ccccc4n3C)C2)s1 ZINC000573497285 856260389 /nfs/dbraw/zinc/26/03/89/856260389.db2.gz WJOYYVZTTDBXAP-GOSISDBHSA-N 2 1 382.577 3.940 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCc3nc4ccccc4n3C)C2)s1 ZINC000573497285 856260398 /nfs/dbraw/zinc/26/03/98/856260398.db2.gz WJOYYVZTTDBXAP-GOSISDBHSA-N 2 1 382.577 3.940 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2nnc3n2CCCCC3)CC1 ZINC000280978393 862787127 /nfs/dbraw/zinc/78/71/27/862787127.db2.gz KZYOGGUKHWTWQX-UHFFFAOYSA-N 2 1 381.568 3.580 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387695 856426221 /nfs/dbraw/zinc/42/62/21/856426221.db2.gz OPZBFJVUPJYWIB-MSOLQXFVSA-N 2 1 382.976 3.785 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387695 856426225 /nfs/dbraw/zinc/42/62/25/856426225.db2.gz OPZBFJVUPJYWIB-MSOLQXFVSA-N 2 1 382.976 3.785 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387695 856426229 /nfs/dbraw/zinc/42/62/29/856426229.db2.gz OPZBFJVUPJYWIB-MSOLQXFVSA-N 2 1 382.976 3.785 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387695 856426234 /nfs/dbraw/zinc/42/62/34/856426234.db2.gz OPZBFJVUPJYWIB-MSOLQXFVSA-N 2 1 382.976 3.785 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387695 856426238 /nfs/dbraw/zinc/42/62/38/856426238.db2.gz OPZBFJVUPJYWIB-MSOLQXFVSA-N 2 1 382.976 3.785 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387700 856427514 /nfs/dbraw/zinc/42/75/14/856427514.db2.gz OPZBFJVUPJYWIB-ROUUACIJSA-N 2 1 382.976 3.785 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387700 856427527 /nfs/dbraw/zinc/42/75/27/856427527.db2.gz OPZBFJVUPJYWIB-ROUUACIJSA-N 2 1 382.976 3.785 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387700 856427537 /nfs/dbraw/zinc/42/75/37/856427537.db2.gz OPZBFJVUPJYWIB-ROUUACIJSA-N 2 1 382.976 3.785 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)C1 ZINC000485387700 856427560 /nfs/dbraw/zinc/42/75/60/856427560.db2.gz OPZBFJVUPJYWIB-ROUUACIJSA-N 2 1 382.976 3.785 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000172525448 856466729 /nfs/dbraw/zinc/46/67/29/856466729.db2.gz MTRZSPKLBVKUSE-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC[NH2+]CC2 ZINC000573793731 856476482 /nfs/dbraw/zinc/47/64/82/856476482.db2.gz SCZRUXYXUMMILF-LJQANCHMSA-N 2 1 393.531 3.668 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000674694412 856711372 /nfs/dbraw/zinc/71/13/72/856711372.db2.gz UBBOMFRTQSWDHB-UNMCSNQZSA-N 2 1 387.568 3.603 20 0 GHADMP C[N@@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605148886 862833475 /nfs/dbraw/zinc/83/34/75/862833475.db2.gz LDVHZXDHTYNZMA-YOEHRIQHSA-N 2 1 389.425 3.894 20 0 GHADMP C[N@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605148886 862833492 /nfs/dbraw/zinc/83/34/92/862833492.db2.gz LDVHZXDHTYNZMA-YOEHRIQHSA-N 2 1 389.425 3.894 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cc(C)n([C@H](C)COC)c2C)CC1 ZINC000507981821 856766139 /nfs/dbraw/zinc/76/61/39/856766139.db2.gz ZRKULXJQDPWEJI-GOSISDBHSA-N 2 1 377.573 3.549 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000508069996 856857059 /nfs/dbraw/zinc/85/70/59/856857059.db2.gz JVOTVLBBONDVLS-FQEVSTJZSA-N 2 1 386.584 3.876 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000508077889 856897205 /nfs/dbraw/zinc/89/72/05/856897205.db2.gz GMKCJCPWJMEVBO-QHCPKHFHSA-N 2 1 379.548 3.842 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000665254389 857086165 /nfs/dbraw/zinc/08/61/65/857086165.db2.gz PEMIKXISTHJLME-WTNAPCKOSA-N 2 1 398.547 3.769 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000485817510 857126331 /nfs/dbraw/zinc/12/63/31/857126331.db2.gz PUUXKNPGDYPLRS-HSZRJFAPSA-N 2 1 397.538 3.900 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000485817510 857126335 /nfs/dbraw/zinc/12/63/35/857126335.db2.gz PUUXKNPGDYPLRS-HSZRJFAPSA-N 2 1 397.538 3.900 20 0 GHADMP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000057169172 857157050 /nfs/dbraw/zinc/15/70/50/857157050.db2.gz OAFFLLQXZNKIEA-GOSISDBHSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000057169172 857157058 /nfs/dbraw/zinc/15/70/58/857157058.db2.gz OAFFLLQXZNKIEA-GOSISDBHSA-N 2 1 397.588 3.523 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC000485858926 857160526 /nfs/dbraw/zinc/16/05/26/857160526.db2.gz YVPNGZRACDOFQG-ZLNRFVROSA-N 2 1 383.580 3.634 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000429246152 857186198 /nfs/dbraw/zinc/18/61/98/857186198.db2.gz FOYCHHYMUJQLQV-NZQKXSOJSA-N 2 1 395.478 3.762 20 0 GHADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1F ZINC000665259723 857208259 /nfs/dbraw/zinc/20/82/59/857208259.db2.gz NTGWROUDMGXXJF-RFVSGWPVSA-N 2 1 385.483 3.589 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058880057 857372153 /nfs/dbraw/zinc/37/21/53/857372153.db2.gz CYOBLICHXPMWJP-QFIPXVFZSA-N 2 1 397.538 3.628 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000486214344 857557845 /nfs/dbraw/zinc/55/78/45/857557845.db2.gz MACBHJDQRXICOW-ACESQOTJSA-N 2 1 398.595 3.555 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000077645019 857616203 /nfs/dbraw/zinc/61/62/03/857616203.db2.gz RVWHTYPJSNOERV-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000063524489 857626484 /nfs/dbraw/zinc/62/64/84/857626484.db2.gz GVAAJRZWNITVGN-MSOLQXFVSA-N 2 1 396.531 3.529 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)O[C@H](C)C2 ZINC000063524489 857626488 /nfs/dbraw/zinc/62/64/88/857626488.db2.gz GVAAJRZWNITVGN-MSOLQXFVSA-N 2 1 396.531 3.529 20 0 GHADMP O=C(C[N@H+]1CC=C(c2cccc3ccccc32)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000063762354 857654573 /nfs/dbraw/zinc/65/45/73/857654573.db2.gz IDOLSPJZEBXSIG-UHFFFAOYSA-N 2 1 389.543 3.672 20 0 GHADMP O=C(C[N@@H+]1CC=C(c2cccc3ccccc32)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000063762354 857654582 /nfs/dbraw/zinc/65/45/82/857654582.db2.gz IDOLSPJZEBXSIG-UHFFFAOYSA-N 2 1 389.543 3.672 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521149876 857666914 /nfs/dbraw/zinc/66/69/14/857666914.db2.gz YHIYOVYSAIYPAS-OAQYLSRUSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521149876 857666920 /nfs/dbraw/zinc/66/69/20/857666920.db2.gz YHIYOVYSAIYPAS-OAQYLSRUSA-N 2 1 391.559 3.632 20 0 GHADMP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1Cl ZINC000676056412 857719881 /nfs/dbraw/zinc/71/98/81/857719881.db2.gz HEMLKIJVJVHRQY-CQSZACIVSA-N 2 1 393.915 3.543 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000671741876 857759652 /nfs/dbraw/zinc/75/96/52/857759652.db2.gz ITZNEUJSHUPIQY-OTWHNJEPSA-N 2 1 397.519 3.854 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743207 857772395 /nfs/dbraw/zinc/77/23/95/857772395.db2.gz PFTLDCVNKOVRAB-HOTGVXAUSA-N 2 1 381.476 3.605 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000671743207 857772406 /nfs/dbraw/zinc/77/24/06/857772406.db2.gz PFTLDCVNKOVRAB-HOTGVXAUSA-N 2 1 381.476 3.605 20 0 GHADMP C[C@](CO)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cc1ccccc1 ZINC000478177342 857773607 /nfs/dbraw/zinc/77/36/07/857773607.db2.gz OHFFMUTVRXPXHW-ZGFBMJKBSA-N 2 1 378.560 3.728 20 0 GHADMP C[C@](CO)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cc1ccccc1 ZINC000478177335 857773629 /nfs/dbraw/zinc/77/36/29/857773629.db2.gz OHFFMUTVRXPXHW-ZFFYZDHPSA-N 2 1 378.560 3.728 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000065857826 857866031 /nfs/dbraw/zinc/86/60/31/857866031.db2.gz SFYAFENDEUOEDW-PKOBYXMFSA-N 2 1 389.540 3.518 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000065867823 857867687 /nfs/dbraw/zinc/86/76/87/857867687.db2.gz PWZGJMADLHCUST-FPOVZHCZSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065867823 857867692 /nfs/dbraw/zinc/86/76/92/857867692.db2.gz PWZGJMADLHCUST-FPOVZHCZSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065867823 857867702 /nfs/dbraw/zinc/86/77/02/857867702.db2.gz PWZGJMADLHCUST-FPOVZHCZSA-N 2 1 389.559 3.809 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574754349 858160019 /nfs/dbraw/zinc/16/00/19/858160019.db2.gz XAKRDRXOVRVFNG-TZIWHRDSSA-N 2 1 395.950 3.899 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574754349 858160023 /nfs/dbraw/zinc/16/00/23/858160023.db2.gz XAKRDRXOVRVFNG-TZIWHRDSSA-N 2 1 395.950 3.899 20 0 GHADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000765973724 858169103 /nfs/dbraw/zinc/16/91/03/858169103.db2.gz DODMPQSCHJNLNC-WMLDXEAASA-N 2 1 384.467 3.591 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)[C@H](C)C1 ZINC000594495633 858191142 /nfs/dbraw/zinc/19/11/42/858191142.db2.gz RKEUTNSFUKWBAH-WTNAPCKOSA-N 2 1 388.552 3.577 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442928142 858234990 /nfs/dbraw/zinc/23/49/90/858234990.db2.gz PKFAWJATJXOMCI-HNNXBMFYSA-N 2 1 377.330 3.504 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000466122039 858356001 /nfs/dbraw/zinc/35/60/01/858356001.db2.gz ZNWRXDAZQUGEOU-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000521855593 858380221 /nfs/dbraw/zinc/38/02/21/858380221.db2.gz QYPGRWIZTDEQRZ-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079392923 858511896 /nfs/dbraw/zinc/51/18/96/858511896.db2.gz MHIULPOUGNPVIX-OAQYLSRUSA-N 2 1 392.632 3.939 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC000522080064 858603295 /nfs/dbraw/zinc/60/32/95/858603295.db2.gz ZRBVYWCJMKFSFL-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC000522080064 858603301 /nfs/dbraw/zinc/60/33/01/858603301.db2.gz ZRBVYWCJMKFSFL-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000522080064 858603306 /nfs/dbraw/zinc/60/33/06/858603306.db2.gz ZRBVYWCJMKFSFL-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccccc1Br ZINC000429259438 858848258 /nfs/dbraw/zinc/84/82/58/858848258.db2.gz JTGFOWRGYRYQNV-UHFFFAOYSA-N 2 1 380.330 3.999 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccccc1Br ZINC000429259438 858848263 /nfs/dbraw/zinc/84/82/63/858848263.db2.gz JTGFOWRGYRYQNV-UHFFFAOYSA-N 2 1 380.330 3.999 20 0 GHADMP Cn1c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)[nH+]c2cccc(F)c21 ZINC000443524381 858893030 /nfs/dbraw/zinc/89/30/30/858893030.db2.gz SXJLFUDKFVTANS-UHFFFAOYSA-N 2 1 396.510 3.618 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc4ccnc(Cl)c4s3)cc2)C1 ZINC000895248398 858899124 /nfs/dbraw/zinc/89/91/24/858899124.db2.gz OMNLKYFUBOVSSN-KRWDZBQOSA-N 2 1 387.936 3.806 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000482852184 858906336 /nfs/dbraw/zinc/90/63/36/858906336.db2.gz ACPLOYJHVCVMGZ-IBGZPJMESA-N 2 1 385.577 3.811 20 0 GHADMP Cc1ccc(C)c(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000429283761 858925142 /nfs/dbraw/zinc/92/51/42/858925142.db2.gz ABFZNBSJIMTIDO-OAQYLSRUSA-N 2 1 393.575 3.905 20 0 GHADMP Brc1ccc2oc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000509278781 858925681 /nfs/dbraw/zinc/92/56/81/858925681.db2.gz JBPMLIGBUSGHOG-UHFFFAOYSA-N 2 1 378.314 3.898 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146495 858935830 /nfs/dbraw/zinc/93/58/30/858935830.db2.gz IIWBCAQNNJWBPE-JWQCQUIFSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146495 858935844 /nfs/dbraw/zinc/93/58/44/858935844.db2.gz IIWBCAQNNJWBPE-JWQCQUIFSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146495 858935848 /nfs/dbraw/zinc/93/58/48/858935848.db2.gz IIWBCAQNNJWBPE-JWQCQUIFSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146495 858935856 /nfs/dbraw/zinc/93/58/56/858935856.db2.gz IIWBCAQNNJWBPE-JWQCQUIFSA-N 2 1 392.543 3.952 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(-c2ccccc2)c1 ZINC000482885438 858941439 /nfs/dbraw/zinc/94/14/39/858941439.db2.gz HDFOIONDTGJENK-LJQANCHMSA-N 2 1 379.548 3.947 20 0 GHADMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc2cccnc12 ZINC000543246024 859016350 /nfs/dbraw/zinc/01/63/50/859016350.db2.gz ZWWMGXNRIOIWGG-HXUWFJFHSA-N 2 1 380.561 3.683 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CCC(=O)N3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168023048 859064399 /nfs/dbraw/zinc/06/43/99/859064399.db2.gz USQKSEBGJFNMGY-XBDPHGSLSA-N 2 1 383.580 3.857 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000532193477 881379013 /nfs/dbraw/zinc/37/90/13/881379013.db2.gz XFTNQFFPBJPTRO-DEOSSOPVSA-N 2 1 395.616 3.944 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc4cccc(OC)c4o3)C2)ccn1 ZINC000856553191 881384106 /nfs/dbraw/zinc/38/41/06/881384106.db2.gz BEZIXCUTCSECGD-FQEVSTJZSA-N 2 1 395.503 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc4cccc(OC)c4o3)C2)ccn1 ZINC000856553191 881384129 /nfs/dbraw/zinc/38/41/29/881384129.db2.gz BEZIXCUTCSECGD-FQEVSTJZSA-N 2 1 395.503 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc4cccc(OC)c4o3)C2)ccn1 ZINC000856553191 881384141 /nfs/dbraw/zinc/38/41/41/881384141.db2.gz BEZIXCUTCSECGD-FQEVSTJZSA-N 2 1 395.503 3.941 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185733968 859122608 /nfs/dbraw/zinc/12/26/08/859122608.db2.gz SHLRWVJAVRUWAQ-GREBRCKQSA-N 2 1 383.580 3.765 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185733968 859122618 /nfs/dbraw/zinc/12/26/18/859122618.db2.gz SHLRWVJAVRUWAQ-GREBRCKQSA-N 2 1 383.580 3.765 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH]nc3-c3cccs3)C2)ccn1 ZINC000856554765 881396707 /nfs/dbraw/zinc/39/67/07/881396707.db2.gz KBXHUUCQGVBOTP-IBGZPJMESA-N 2 1 397.548 3.638 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)ccn1 ZINC000856554765 881396744 /nfs/dbraw/zinc/39/67/44/881396744.db2.gz KBXHUUCQGVBOTP-IBGZPJMESA-N 2 1 397.548 3.638 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)ccn1 ZINC000856554765 881396781 /nfs/dbraw/zinc/39/67/81/881396781.db2.gz KBXHUUCQGVBOTP-IBGZPJMESA-N 2 1 397.548 3.638 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1)c1cccc(Cl)c1 ZINC000923497025 859371528 /nfs/dbraw/zinc/37/15/28/859371528.db2.gz KAUZMGAFWWAPIS-UKRRQHHQSA-N 2 1 392.956 3.898 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cs1)c1cccc(Cl)c1 ZINC000923497025 859371532 /nfs/dbraw/zinc/37/15/32/859371532.db2.gz KAUZMGAFWWAPIS-UKRRQHHQSA-N 2 1 392.956 3.898 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCCCC1 ZINC000764357365 859402990 /nfs/dbraw/zinc/40/29/90/859402990.db2.gz UFHCGAOPWGUKAM-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429456828 859407721 /nfs/dbraw/zinc/40/77/21/859407721.db2.gz RHZTZVZCROFNND-LZQXYRQZSA-N 2 1 382.523 3.792 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483502812 859413987 /nfs/dbraw/zinc/41/39/87/859413987.db2.gz IDYIVTOWZIJLLM-JCTONOIOSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483502812 859413994 /nfs/dbraw/zinc/41/39/94/859413994.db2.gz IDYIVTOWZIJLLM-JCTONOIOSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483502812 859414001 /nfs/dbraw/zinc/41/40/01/859414001.db2.gz IDYIVTOWZIJLLM-JCTONOIOSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483502812 859414010 /nfs/dbraw/zinc/41/40/10/859414010.db2.gz IDYIVTOWZIJLLM-JCTONOIOSA-N 2 1 398.522 3.552 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000626062603 859436394 /nfs/dbraw/zinc/43/63/94/859436394.db2.gz YVNVMBXFAUAQLQ-HNNXBMFYSA-N 2 1 375.463 3.876 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000626062603 859436403 /nfs/dbraw/zinc/43/64/03/859436403.db2.gz YVNVMBXFAUAQLQ-HNNXBMFYSA-N 2 1 375.463 3.876 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000543371769 859442209 /nfs/dbraw/zinc/44/22/09/859442209.db2.gz VSXVMFQNAJEBAO-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000543371769 859442224 /nfs/dbraw/zinc/44/22/24/859442224.db2.gz VSXVMFQNAJEBAO-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)[NH+]1CC[C@H](CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000543371769 859442231 /nfs/dbraw/zinc/44/22/31/859442231.db2.gz VSXVMFQNAJEBAO-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000114017794 859450535 /nfs/dbraw/zinc/45/05/35/859450535.db2.gz YSVGYLWBSPOIJM-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[NH+](C2CCCC2)CC1)C1CC1 ZINC000483679029 859530720 /nfs/dbraw/zinc/53/07/20/859530720.db2.gz HXCYKZZLRKNDGF-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CC1 ZINC000483679029 859530725 /nfs/dbraw/zinc/53/07/25/859530725.db2.gz HXCYKZZLRKNDGF-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CC1 ZINC000483679029 859530732 /nfs/dbraw/zinc/53/07/32/859530732.db2.gz HXCYKZZLRKNDGF-HSZRJFAPSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029534 859560310 /nfs/dbraw/zinc/56/03/10/859560310.db2.gz SWGHOTUNEROIFW-SWXWDQRWSA-N 2 1 393.575 3.923 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000895479377 859565608 /nfs/dbraw/zinc/56/56/08/859565608.db2.gz PFXYLJWKYIIALB-XDNAFOTISA-N 2 1 390.490 3.608 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)ccc3F)C2)ccn1 ZINC000856559971 881440370 /nfs/dbraw/zinc/44/03/70/881440370.db2.gz DQYNYYZSXVPQSW-HXUWFJFHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)ccc3F)C2)ccn1 ZINC000856559971 881440375 /nfs/dbraw/zinc/44/03/75/881440375.db2.gz DQYNYYZSXVPQSW-HXUWFJFHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)ccc3F)C2)ccn1 ZINC000856559971 881440382 /nfs/dbraw/zinc/44/03/82/881440382.db2.gz DQYNYYZSXVPQSW-HXUWFJFHSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)ccc3F)C2)ccn1 ZINC000856559971 881440389 /nfs/dbraw/zinc/44/03/89/881440389.db2.gz DQYNYYZSXVPQSW-HXUWFJFHSA-N 2 1 375.463 3.853 20 0 GHADMP CCC[N@H+](CC(=O)Nc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477363 859626398 /nfs/dbraw/zinc/62/63/98/859626398.db2.gz OAUCRANKHVMVHD-UHFFFAOYSA-N 2 1 395.551 3.721 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1cccc(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477363 859626405 /nfs/dbraw/zinc/62/64/05/859626405.db2.gz OAUCRANKHVMVHD-UHFFFAOYSA-N 2 1 395.551 3.721 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@@H](C)C1 ZINC000483851005 859650195 /nfs/dbraw/zinc/65/01/95/859650195.db2.gz QCKQWVCBQBGDGV-GHTZIAJQSA-N 2 1 384.568 3.527 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000764968837 859715092 /nfs/dbraw/zinc/71/50/92/859715092.db2.gz DWVONAQLSJFAON-UHFFFAOYSA-N 2 1 377.330 3.544 20 0 GHADMP Fc1ccc(N2CCOCC2)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000484130732 859840780 /nfs/dbraw/zinc/84/07/80/859840780.db2.gz DWRLYHACSUBGHE-UHFFFAOYSA-N 2 1 375.532 3.549 20 0 GHADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@]1(O)CCN(Cc3ccccc3)C1)CCCO2 ZINC000484174832 859847725 /nfs/dbraw/zinc/84/77/25/859847725.db2.gz SLQLSPPIZGCDLG-ISKFKSNPSA-N 2 1 380.532 3.744 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168032919 859848300 /nfs/dbraw/zinc/84/83/00/859848300.db2.gz JHHZAIDONDAVMW-JXQFQVJHSA-N 2 1 382.548 3.898 20 0 GHADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cnc2ccsc2c1 ZINC000484153349 859848828 /nfs/dbraw/zinc/84/88/28/859848828.db2.gz AHEJCXNLAZLMPL-VDGAXYAQSA-N 2 1 381.545 3.830 20 0 GHADMP CCO/C=C\[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000895719950 859869242 /nfs/dbraw/zinc/86/92/42/859869242.db2.gz ZAPUXYCPYNWSKS-TXWCGJNESA-N 2 1 398.469 3.617 20 0 GHADMP CCO/C=C\[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000895719950 859869252 /nfs/dbraw/zinc/86/92/52/859869252.db2.gz ZAPUXYCPYNWSKS-TXWCGJNESA-N 2 1 398.469 3.617 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000765266879 859883489 /nfs/dbraw/zinc/88/34/89/859883489.db2.gz JKRWIURBBQFFKF-PGRDOPGGSA-N 2 1 379.504 3.643 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(N2CCOCC2)c1 ZINC000484302241 859923051 /nfs/dbraw/zinc/92/30/51/859923051.db2.gz PLZLMJUWDKBZON-XUZZJYLKSA-N 2 1 393.575 3.832 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000765402166 859955214 /nfs/dbraw/zinc/95/52/14/859955214.db2.gz UPBDYNNNCQMUKI-OFVILXPXSA-N 2 1 395.591 3.906 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)[nH]c1C ZINC000602549335 860095850 /nfs/dbraw/zinc/09/58/50/860095850.db2.gz BKIQEVMJJFGBKD-UHFFFAOYSA-N 2 1 381.476 3.625 20 0 GHADMP C[N@H+]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](c2ccccc2)C1 ZINC000624911848 860126248 /nfs/dbraw/zinc/12/62/48/860126248.db2.gz IGINVTOSWSLZDZ-YADHBBJMSA-N 2 1 395.572 3.519 20 0 GHADMP CCC(CC)(CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000115828629 860214039 /nfs/dbraw/zinc/21/40/39/860214039.db2.gz OJAPLMSTLNIGBE-PMACEKPBSA-N 2 1 388.600 3.879 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474501394 860236109 /nfs/dbraw/zinc/23/61/09/860236109.db2.gz VIZUKSIZCRFZSW-WOIUINJBSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474501394 860236123 /nfs/dbraw/zinc/23/61/23/860236123.db2.gz VIZUKSIZCRFZSW-WOIUINJBSA-N 2 1 389.559 3.664 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2(C3CC[NH2+]CC3)CC2)c1 ZINC000904295715 860316742 /nfs/dbraw/zinc/31/67/42/860316742.db2.gz JEPBEDRIDVJBPL-UHFFFAOYSA-N 2 1 381.524 3.709 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000904296687 860317445 /nfs/dbraw/zinc/31/74/45/860317445.db2.gz ZBGVQLLCGYJVQB-PGRDOPGGSA-N 2 1 381.524 3.790 20 0 GHADMP C[C@@H]1C[C@@H](N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036937 860337529 /nfs/dbraw/zinc/33/75/29/860337529.db2.gz WEHJCURBNASCQS-ZFCUDEJISA-N 2 1 393.579 3.995 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000470493377 860351234 /nfs/dbraw/zinc/35/12/34/860351234.db2.gz JSKSSDBBDRGVDS-RTWAWAEBSA-N 2 1 380.621 3.791 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@@H](CNC3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000191832364 860359586 /nfs/dbraw/zinc/35/95/86/860359586.db2.gz VOMXCVMHNWAYGH-DEOSSOPVSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000155170942 860427545 /nfs/dbraw/zinc/42/75/45/860427545.db2.gz WMOKCJYDOMIPTR-NRSPTQNISA-N 2 1 398.551 3.577 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000155170942 860427552 /nfs/dbraw/zinc/42/75/52/860427552.db2.gz WMOKCJYDOMIPTR-NRSPTQNISA-N 2 1 398.551 3.577 20 0 GHADMP CCOc1c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)nn1CC(C)C ZINC000904477703 860469539 /nfs/dbraw/zinc/46/95/39/860469539.db2.gz ZFVKHOPAGSQKRO-REWPJTCUSA-N 2 1 398.551 3.592 20 0 GHADMP Cc1ccc(-c2noc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)cc1 ZINC000484920169 860490679 /nfs/dbraw/zinc/49/06/79/860490679.db2.gz WJOFSAHEVBFJFM-UHFFFAOYSA-N 2 1 397.567 3.678 20 0 GHADMP C[C@@H]1C[C@@H](N(C)CCNC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168038989 860506924 /nfs/dbraw/zinc/50/69/24/860506924.db2.gz ASAJQRWFZFXRFS-OPVJXMOQSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168038989 860506929 /nfs/dbraw/zinc/50/69/29/860506929.db2.gz ASAJQRWFZFXRFS-OPVJXMOQSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCNC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168038989 860506936 /nfs/dbraw/zinc/50/69/36/860506936.db2.gz ASAJQRWFZFXRFS-OPVJXMOQSA-N 2 1 375.557 3.885 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000904602850 860529320 /nfs/dbraw/zinc/52/93/20/860529320.db2.gz VZJOMPUBOAWGQM-OAQYLSRUSA-N 2 1 380.536 3.661 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000765745222 860555515 /nfs/dbraw/zinc/55/55/15/860555515.db2.gz ZQWSBRCCIAROIT-UHFFFAOYSA-N 2 1 387.568 3.683 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585498 881558219 /nfs/dbraw/zinc/55/82/19/881558219.db2.gz HOERQKQRHGHGNY-XZOQPEGZSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585498 881558228 /nfs/dbraw/zinc/55/82/28/881558228.db2.gz HOERQKQRHGHGNY-XZOQPEGZSA-N 2 1 383.536 3.764 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](CCOC)c3ccccc3)C2)ccn1 ZINC000856585498 881558236 /nfs/dbraw/zinc/55/82/36/881558236.db2.gz HOERQKQRHGHGNY-XZOQPEGZSA-N 2 1 383.536 3.764 20 0 GHADMP C[C@@H]1CC([NH+]2CCN(c3ccc(O)cc3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168040672 860633172 /nfs/dbraw/zinc/63/31/72/860633172.db2.gz OAAZFYKOQMLSEQ-WOJBJXKFSA-N 2 1 379.548 3.956 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)s2)C[C@H](C)O1 ZINC000598965552 860693067 /nfs/dbraw/zinc/69/30/67/860693067.db2.gz YOUIGVMGNSPSNF-IYBDPMFKSA-N 2 1 382.570 3.682 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000509050122 860693933 /nfs/dbraw/zinc/69/39/33/860693933.db2.gz KSULELOAXDTMMN-AABGKKOBSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000509050122 860693939 /nfs/dbraw/zinc/69/39/39/860693939.db2.gz KSULELOAXDTMMN-AABGKKOBSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000509050122 860693941 /nfs/dbraw/zinc/69/39/41/860693941.db2.gz KSULELOAXDTMMN-AABGKKOBSA-N 2 1 392.975 3.601 20 0 GHADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603900 881577903 /nfs/dbraw/zinc/57/79/03/881577903.db2.gz GYCZEKDIPDVGDB-BJKOFHAPSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856603900 881577915 /nfs/dbraw/zinc/57/79/15/881577915.db2.gz GYCZEKDIPDVGDB-BJKOFHAPSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603900 881577925 /nfs/dbraw/zinc/57/79/25/881577925.db2.gz GYCZEKDIPDVGDB-BJKOFHAPSA-N 2 1 397.563 3.633 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOCC3CCCC3)C2)ccn1 ZINC000856606762 881585081 /nfs/dbraw/zinc/58/50/81/881585081.db2.gz NTTNOVVSEXNAKT-QFIPXVFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOCC3CCCC3)C2)ccn1 ZINC000856606762 881585094 /nfs/dbraw/zinc/58/50/94/881585094.db2.gz NTTNOVVSEXNAKT-QFIPXVFZSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOCC3CCCC3)C2)ccn1 ZINC000856606762 881585107 /nfs/dbraw/zinc/58/51/07/881585107.db2.gz NTTNOVVSEXNAKT-QFIPXVFZSA-N 2 1 375.557 3.582 20 0 GHADMP CCC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477235 881587018 /nfs/dbraw/zinc/58/70/18/881587018.db2.gz RJXHJABANMUJGP-NRFANRHFSA-N 2 1 386.515 3.647 20 0 GHADMP CCC[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477235 881587025 /nfs/dbraw/zinc/58/70/25/881587025.db2.gz RJXHJABANMUJGP-NRFANRHFSA-N 2 1 386.515 3.647 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)nnn1-c1ccc(C)cc1 ZINC000481309856 861008478 /nfs/dbraw/zinc/00/84/78/861008478.db2.gz MURPRVAXOINOPD-SFHVURJKSA-N 2 1 393.535 3.675 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nnn1-c1ccc(C)cc1 ZINC000481312531 861015003 /nfs/dbraw/zinc/01/50/03/861015003.db2.gz UPXPKGOSCKPRBX-GOSISDBHSA-N 2 1 393.535 3.675 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000600142500 861116111 /nfs/dbraw/zinc/11/61/11/861116111.db2.gz OXPWFLYGYGJVPW-UYAOXDASSA-N 2 1 381.520 3.649 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000182228060 863155933 /nfs/dbraw/zinc/15/59/33/863155933.db2.gz DPSXHSLUIMJRME-LAUBAEHRSA-N 2 1 385.527 3.699 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@@H]1C ZINC000444040694 863200007 /nfs/dbraw/zinc/20/00/07/863200007.db2.gz ZDZLJJGVNDKTEM-HKUYNNGSSA-N 2 1 390.597 3.572 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH+]2CCSCC2)C[C@@H]1C ZINC000444040694 863200012 /nfs/dbraw/zinc/20/00/12/863200012.db2.gz ZDZLJJGVNDKTEM-HKUYNNGSSA-N 2 1 390.597 3.572 20 0 GHADMP CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000183151822 863488747 /nfs/dbraw/zinc/48/87/47/863488747.db2.gz UQKLRVANOBWOLH-ZDUSSCGKSA-N 2 1 383.521 3.797 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCCCC1 ZINC000606376310 863569926 /nfs/dbraw/zinc/56/99/26/863569926.db2.gz OHEHUQVLLVDBEP-JQVVWYNYSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCCCC1 ZINC000606376310 863569932 /nfs/dbraw/zinc/56/99/32/863569932.db2.gz OHEHUQVLLVDBEP-JQVVWYNYSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000606688562 863779631 /nfs/dbraw/zinc/77/96/31/863779631.db2.gz VQARXNQGGOTVMD-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053491 863916069 /nfs/dbraw/zinc/91/60/69/863916069.db2.gz OQJUWUDXUPWNKU-KCZVDYSFSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)c1cccs1 ZINC000103143139 863933544 /nfs/dbraw/zinc/93/35/44/863933544.db2.gz MGKDNEQYAIYVNS-GOSISDBHSA-N 2 1 385.577 3.769 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1cccs1 ZINC000103143139 863933559 /nfs/dbraw/zinc/93/35/59/863933559.db2.gz MGKDNEQYAIYVNS-GOSISDBHSA-N 2 1 385.577 3.769 20 0 GHADMP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103142963 863933658 /nfs/dbraw/zinc/93/36/58/863933658.db2.gz IYYXKJDIMNXDQS-LJQANCHMSA-N 2 1 390.535 3.567 20 0 GHADMP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142963 863933664 /nfs/dbraw/zinc/93/36/64/863933664.db2.gz IYYXKJDIMNXDQS-LJQANCHMSA-N 2 1 390.535 3.567 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)sc2c1)C1CC1 ZINC000667611496 863960613 /nfs/dbraw/zinc/96/06/13/863960613.db2.gz QGSWCBORFXWMKV-SJLPKXTDSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)sc2c1)C1CC1 ZINC000667611496 863960625 /nfs/dbraw/zinc/96/06/25/863960625.db2.gz QGSWCBORFXWMKV-SJLPKXTDSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)sc2c1)C1CC1 ZINC000667611496 863960639 /nfs/dbraw/zinc/96/06/39/863960639.db2.gz QGSWCBORFXWMKV-SJLPKXTDSA-N 2 1 399.564 3.639 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)cc1 ZINC000120771401 881715426 /nfs/dbraw/zinc/71/54/26/881715426.db2.gz GITMYKLEMFUERR-QGZVFWFLSA-N 2 1 381.586 3.753 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054772 863985113 /nfs/dbraw/zinc/98/51/13/863985113.db2.gz BEQWHEIEOIWSDY-HVYFLLBWSA-N 2 1 399.579 3.979 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054772 863985123 /nfs/dbraw/zinc/98/51/23/863985123.db2.gz BEQWHEIEOIWSDY-HVYFLLBWSA-N 2 1 399.579 3.979 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054772 863985133 /nfs/dbraw/zinc/98/51/33/863985133.db2.gz BEQWHEIEOIWSDY-HVYFLLBWSA-N 2 1 399.579 3.979 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000734217371 864090470 /nfs/dbraw/zinc/09/04/70/864090470.db2.gz HQQURGXSQVHIMF-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000607173948 864135978 /nfs/dbraw/zinc/13/59/78/864135978.db2.gz HUOLBGMXJAIVEY-PCCBWWKXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000607173948 864135985 /nfs/dbraw/zinc/13/59/85/864135985.db2.gz HUOLBGMXJAIVEY-PCCBWWKXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000607173948 864135986 /nfs/dbraw/zinc/13/59/86/864135986.db2.gz HUOLBGMXJAIVEY-PCCBWWKXSA-N 2 1 386.584 3.555 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000607281728 864239203 /nfs/dbraw/zinc/23/92/03/864239203.db2.gz AJBLAEBSCXRUAG-YADHBBJMSA-N 2 1 383.511 3.599 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(N2CCOCC2)c1 ZINC000480242278 864332349 /nfs/dbraw/zinc/33/23/49/864332349.db2.gz ATEQYJKQKHBFJJ-HXUWFJFHSA-N 2 1 379.548 3.622 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(N2CCOCC2)c1 ZINC000480242278 864332366 /nfs/dbraw/zinc/33/23/66/864332366.db2.gz ATEQYJKQKHBFJJ-HXUWFJFHSA-N 2 1 379.548 3.622 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000607539276 864471698 /nfs/dbraw/zinc/47/16/98/864471698.db2.gz GDNGZZDVCAMRRG-JXFKEZNVSA-N 2 1 389.565 3.996 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(C(C)C)nc2s1 ZINC000475293933 864707762 /nfs/dbraw/zinc/70/77/62/864707762.db2.gz LTHXUUKMKCDPDV-SFHVURJKSA-N 2 1 383.565 3.834 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(C(C)C)nc2s1 ZINC000475293933 864707773 /nfs/dbraw/zinc/70/77/73/864707773.db2.gz LTHXUUKMKCDPDV-SFHVURJKSA-N 2 1 383.565 3.834 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000554720078 864793570 /nfs/dbraw/zinc/79/35/70/864793570.db2.gz FQOXUFHMRLNUTO-UHFFFAOYSA-N 2 1 396.304 3.604 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c2)CC1 ZINC000182676388 864972287 /nfs/dbraw/zinc/97/22/87/864972287.db2.gz GEARCCSDPAXHMG-XZOQPEGZSA-N 2 1 398.595 3.544 20 0 GHADMP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000554820819 864976326 /nfs/dbraw/zinc/97/63/26/864976326.db2.gz ZJLWNWIPGKWFGP-VXKWHMMOSA-N 2 1 383.580 3.737 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000840862448 865024527 /nfs/dbraw/zinc/02/45/27/865024527.db2.gz GMLYOWZMEYCZQP-QIJUGHKUSA-N 2 1 381.520 3.750 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000840862448 865024531 /nfs/dbraw/zinc/02/45/31/865024531.db2.gz GMLYOWZMEYCZQP-QIJUGHKUSA-N 2 1 381.520 3.750 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000667725270 865093834 /nfs/dbraw/zinc/09/38/34/865093834.db2.gz BVQAOKONWKNWEN-QHCPKHFHSA-N 2 1 378.520 3.665 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c(F)c1 ZINC000622704357 865143153 /nfs/dbraw/zinc/14/31/53/865143153.db2.gz ZGXLKWNWOZFKFA-UHFFFAOYSA-N 2 1 389.381 3.658 20 0 GHADMP CCCNC(=O)c1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480735985 865165031 /nfs/dbraw/zinc/16/50/31/865165031.db2.gz SINSLEPIWWHKIX-XXBNENTESA-N 2 1 379.548 3.827 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480735985 865165053 /nfs/dbraw/zinc/16/50/53/865165053.db2.gz SINSLEPIWWHKIX-XXBNENTESA-N 2 1 379.548 3.827 20 0 GHADMP CC(C)[C@H](CNc1cc[nH+]c2ccc(Br)cc12)[NH+]1CCN(C)CC1 ZINC000301334844 865292948 /nfs/dbraw/zinc/29/29/48/865292948.db2.gz CNCQAAMVVUPRTM-IBGZPJMESA-N 2 1 391.357 3.681 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000608383340 865298298 /nfs/dbraw/zinc/29/82/98/865298298.db2.gz WTHBQFRQSYBSTH-BEFAXECRSA-N 2 1 377.916 3.829 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000608563623 865464467 /nfs/dbraw/zinc/46/44/67/865464467.db2.gz QDGMJGXFTRTQAC-NRFANRHFSA-N 2 1 381.564 3.839 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000608563623 865464472 /nfs/dbraw/zinc/46/44/72/865464472.db2.gz QDGMJGXFTRTQAC-NRFANRHFSA-N 2 1 381.564 3.839 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000172066198 865478821 /nfs/dbraw/zinc/47/88/21/865478821.db2.gz YAEUFGVBHISCRA-LJQANCHMSA-N 2 1 390.531 3.931 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000172066198 865478823 /nfs/dbraw/zinc/47/88/23/865478823.db2.gz YAEUFGVBHISCRA-LJQANCHMSA-N 2 1 390.531 3.931 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cn2ccc(-c3cc(Cl)ccc3Cl)n2)CC1 ZINC000738207823 865501755 /nfs/dbraw/zinc/50/17/55/865501755.db2.gz GGAJZXREXXDFGN-UHFFFAOYSA-N 2 1 397.350 3.857 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000608620102 865538142 /nfs/dbraw/zinc/53/81/42/865538142.db2.gz NNZDTWNDYWSSMA-FUHIMQAGSA-N 2 1 392.975 3.601 20 0 GHADMP CCc1ccc([C@H](NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c2cccs2)cc1 ZINC000480953675 865596791 /nfs/dbraw/zinc/59/67/91/865596791.db2.gz HCKOCGHBTQSZIX-QHCPKHFHSA-N 2 1 399.604 3.790 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671242517 865698317 /nfs/dbraw/zinc/69/83/17/865698317.db2.gz GTRGVSIGHLDKIF-SFHVURJKSA-N 2 1 386.540 3.868 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000671242517 865698320 /nfs/dbraw/zinc/69/83/20/865698320.db2.gz GTRGVSIGHLDKIF-SFHVURJKSA-N 2 1 386.540 3.868 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C(C)(C)c2ccccc2)CC1 ZINC000671245739 865721465 /nfs/dbraw/zinc/72/14/65/865721465.db2.gz MJGTYTBIAFEALD-UHFFFAOYSA-N 2 1 393.575 3.943 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555213346 865729658 /nfs/dbraw/zinc/72/96/58/865729658.db2.gz WSUBFGVLMZBQHR-NRFANRHFSA-N 2 1 388.600 3.660 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000481113200 865815686 /nfs/dbraw/zinc/81/56/86/865815686.db2.gz IFPYSHVAUBPVIY-SESVDKBCSA-N 2 1 398.551 3.673 20 0 GHADMP CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000302638976 865863996 /nfs/dbraw/zinc/86/39/96/865863996.db2.gz HXPQDXFXUYREKT-OAHLLOKOSA-N 2 1 391.357 3.683 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000481163150 865899183 /nfs/dbraw/zinc/89/91/83/865899183.db2.gz DTDUIIBLFNYRLH-MZYLBHOOSA-N 2 1 382.548 3.543 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000174450070 865908726 /nfs/dbraw/zinc/90/87/26/865908726.db2.gz HKXZMBIVCYTUKX-UHFFFAOYSA-N 2 1 378.472 3.973 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000667827807 865919282 /nfs/dbraw/zinc/91/92/82/865919282.db2.gz XTTHZJNIFOELTB-UHFFFAOYSA-N 2 1 396.510 3.520 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)C2)CC1 ZINC000533987346 865924658 /nfs/dbraw/zinc/92/46/58/865924658.db2.gz YJTAJOXKKBWPJH-MDNUFGMLSA-N 2 1 398.595 3.585 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481185831 865952189 /nfs/dbraw/zinc/95/21/89/865952189.db2.gz FKYMWGXDZSRICB-QTEQDKRBSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481185831 865952202 /nfs/dbraw/zinc/95/22/02/865952202.db2.gz FKYMWGXDZSRICB-QTEQDKRBSA-N 2 1 379.548 3.706 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481190055 865972760 /nfs/dbraw/zinc/97/27/60/865972760.db2.gz LEDHABZGJLDXEM-SPEDKVCISA-N 2 1 381.520 3.522 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481190055 865972770 /nfs/dbraw/zinc/97/27/70/865972770.db2.gz LEDHABZGJLDXEM-SPEDKVCISA-N 2 1 381.520 3.522 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068355 866101703 /nfs/dbraw/zinc/10/17/03/866101703.db2.gz XVKKMSORJOZZCS-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068355 866101707 /nfs/dbraw/zinc/10/17/07/866101707.db2.gz XVKKMSORJOZZCS-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccnc(O[C@H]2CC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068355 866101710 /nfs/dbraw/zinc/10/17/10/866101710.db2.gz XVKKMSORJOZZCS-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccnc(O[C@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168068355 866101715 /nfs/dbraw/zinc/10/17/15/866101715.db2.gz XVKKMSORJOZZCS-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223612 866333971 /nfs/dbraw/zinc/33/39/71/866333971.db2.gz OGASAYOGFPWZEI-VQIMIIECSA-N 2 1 398.954 3.501 20 0 GHADMP CC[NH+](CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223612 866333990 /nfs/dbraw/zinc/33/39/90/866333990.db2.gz OGASAYOGFPWZEI-VQIMIIECSA-N 2 1 398.954 3.501 20 0 GHADMP CC[NH+](CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000534223612 866334008 /nfs/dbraw/zinc/33/40/08/866334008.db2.gz OGASAYOGFPWZEI-VQIMIIECSA-N 2 1 398.954 3.501 20 0 GHADMP Cn1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C(F)(F)F ZINC000534232834 866381179 /nfs/dbraw/zinc/38/11/79/866381179.db2.gz UYHAKGGPFAMDEE-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000620192976 866527283 /nfs/dbraw/zinc/52/72/83/866527283.db2.gz XJLOHKTUWFTTIN-HSZRJFAPSA-N 2 1 391.559 3.780 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414080157 866744155 /nfs/dbraw/zinc/74/41/55/866744155.db2.gz CVFIRIVSBXVSRA-WIYYLYMNSA-N 2 1 391.987 3.899 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2C(F)(F)F)c2cccs2)CC1 ZINC000620437314 866754228 /nfs/dbraw/zinc/75/42/28/866754228.db2.gz FVYLLBSIAMXYKD-QGZVFWFLSA-N 2 1 383.483 3.845 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000501051763 866759612 /nfs/dbraw/zinc/75/96/12/866759612.db2.gz GDKUFDXEBZKRGW-QGZVFWFLSA-N 2 1 394.401 3.784 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000553143895 866874515 /nfs/dbraw/zinc/87/45/15/866874515.db2.gz SQROJXSTYRIIAC-LADGPHEKSA-N 2 1 397.607 3.710 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000523220680 866888980 /nfs/dbraw/zinc/88/89/80/866888980.db2.gz ZCMJZESPVNPEJW-HKUYNNGSSA-N 2 1 390.572 3.535 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000444599731 866963171 /nfs/dbraw/zinc/96/31/71/866963171.db2.gz XKRIIKNZLDTSIC-ROUUACIJSA-N 2 1 383.540 3.661 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000553225919 867007383 /nfs/dbraw/zinc/00/73/83/867007383.db2.gz RJMODQGMWFFSCJ-UHFFFAOYSA-N 2 1 398.576 3.945 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)C[C@H](C)O1 ZINC000479054463 867066249 /nfs/dbraw/zinc/06/62/49/867066249.db2.gz GHMWCKWVBLKNMQ-XQBPLPMBSA-N 2 1 382.552 3.729 20 0 GHADMP O=C(C[N@@H+]1CCCC12CCC2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444774031 867214073 /nfs/dbraw/zinc/21/40/73/867214073.db2.gz HFWCAGORXHAYLM-IBGZPJMESA-N 2 1 375.944 3.612 20 0 GHADMP O=C(C[N@H+]1CCCC12CCC2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000444774031 867214090 /nfs/dbraw/zinc/21/40/90/867214090.db2.gz HFWCAGORXHAYLM-IBGZPJMESA-N 2 1 375.944 3.612 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000523391636 867226209 /nfs/dbraw/zinc/22/62/09/867226209.db2.gz CEXXMXZPOAJDEF-UHFFFAOYSA-N 2 1 382.596 3.962 20 0 GHADMP COCCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(Br)cc1 ZINC000154841646 867626303 /nfs/dbraw/zinc/62/63/03/867626303.db2.gz HXMDHBLEMGKIKW-LJQANCHMSA-N 2 1 399.373 3.617 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000457141406 867754646 /nfs/dbraw/zinc/75/46/46/867754646.db2.gz ZDMDCUJAACJBCB-HSZRJFAPSA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000457141406 867754655 /nfs/dbraw/zinc/75/46/55/867754655.db2.gz ZDMDCUJAACJBCB-HSZRJFAPSA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000457141406 867754666 /nfs/dbraw/zinc/75/46/66/867754666.db2.gz ZDMDCUJAACJBCB-HSZRJFAPSA-N 2 1 379.548 3.873 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463081 867807833 /nfs/dbraw/zinc/80/78/33/867807833.db2.gz IAZFYBIORHYGEV-XUZZJYLKSA-N 2 1 377.532 3.592 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccc(Cl)cc43)c2)C1 ZINC000479484614 867853063 /nfs/dbraw/zinc/85/30/63/867853063.db2.gz IASLIJISBAYHIP-SIKLNZKXSA-N 2 1 397.950 3.814 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000429541759 882133633 /nfs/dbraw/zinc/13/36/33/882133633.db2.gz PMHVLNYHFXNTCA-UBFVSLLYSA-N 2 1 396.575 3.878 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)C[C@@H](C)O1 ZINC000535034744 868006829 /nfs/dbraw/zinc/00/68/29/868006829.db2.gz CPKZQOJMSRTORV-RTBURBONSA-N 2 1 396.535 3.590 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857247833 882142690 /nfs/dbraw/zinc/14/26/90/882142690.db2.gz GBDKTPIRPVSUPD-GMAHTHKFSA-N 2 1 395.547 3.537 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000479554838 868042092 /nfs/dbraw/zinc/04/20/92/868042092.db2.gz NEVXOWZGDPSWDS-HLAWJBBLSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000553772961 868169847 /nfs/dbraw/zinc/16/98/47/868169847.db2.gz JMVZNWGCXPGXQE-ZRCGQRJVSA-N 2 1 398.595 3.829 20 0 GHADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156887538 868492654 /nfs/dbraw/zinc/49/26/54/868492654.db2.gz GTLKCZPCZPVMMS-UGKGYDQZSA-N 2 1 379.548 3.852 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000156913150 868499981 /nfs/dbraw/zinc/49/99/81/868499981.db2.gz KXURVIULCHTDFN-CVDCTZTESA-N 2 1 379.548 3.852 20 0 GHADMP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000156973422 868518218 /nfs/dbraw/zinc/51/82/18/868518218.db2.gz XJJSXVGSBZWWDJ-OALUTQOASA-N 2 1 380.374 3.612 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156976969 868519205 /nfs/dbraw/zinc/51/92/05/868519205.db2.gz YZMJBJGRRXHBEM-COPCDDAFSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156976969 868519218 /nfs/dbraw/zinc/51/92/18/868519218.db2.gz YZMJBJGRRXHBEM-COPCDDAFSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000156976969 868519229 /nfs/dbraw/zinc/51/92/29/868519229.db2.gz YZMJBJGRRXHBEM-COPCDDAFSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000156976969 868519240 /nfs/dbraw/zinc/51/92/40/868519240.db2.gz YZMJBJGRRXHBEM-COPCDDAFSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000457664311 868599476 /nfs/dbraw/zinc/59/94/76/868599476.db2.gz UQNFHVOEQQVIGD-GBXCKJPGSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000457664311 868599487 /nfs/dbraw/zinc/59/94/87/868599487.db2.gz UQNFHVOEQQVIGD-GBXCKJPGSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000457664311 868599498 /nfs/dbraw/zinc/59/94/98/868599498.db2.gz UQNFHVOEQQVIGD-GBXCKJPGSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(N2CCOCC2)c1 ZINC000479869958 868633308 /nfs/dbraw/zinc/63/33/08/868633308.db2.gz APNXCRJOBIZMSF-FQEVSTJZSA-N 2 1 379.548 3.838 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cccc(Br)c1 ZINC000157481347 868664296 /nfs/dbraw/zinc/66/42/96/868664296.db2.gz DJPCKFMYKCUZRC-SFHVURJKSA-N 2 1 394.357 3.728 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000157607231 868701852 /nfs/dbraw/zinc/70/18/52/868701852.db2.gz DZOHTEGJWGPYMB-QZTJIDSGSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCc1ccccc1F ZINC000524452983 869104357 /nfs/dbraw/zinc/10/43/57/869104357.db2.gz DQWBIDHPDBETOK-RBUKOAKNSA-N 2 1 397.538 3.995 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cn1 ZINC000190771241 882266324 /nfs/dbraw/zinc/26/63/24/882266324.db2.gz ZCVDESLIGTYPLF-FQEVSTJZSA-N 2 1 396.579 3.828 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)c2)CCO1 ZINC000190868803 882291361 /nfs/dbraw/zinc/29/13/61/882291361.db2.gz WRRISQYEGRHHLJ-IBGZPJMESA-N 2 1 380.532 3.986 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)c2)CCO1 ZINC000190868803 882291374 /nfs/dbraw/zinc/29/13/74/882291374.db2.gz WRRISQYEGRHHLJ-IBGZPJMESA-N 2 1 380.532 3.986 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)cc1 ZINC000539658025 869543564 /nfs/dbraw/zinc/54/35/64/869543564.db2.gz KMDHMZOCRBWOGD-VGSWGCGISA-N 2 1 390.535 3.889 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C[C@@H]1C ZINC000524880082 869726294 /nfs/dbraw/zinc/72/62/94/869726294.db2.gz LDWOVKBDIWCIAQ-MZKRTTBSSA-N 2 1 385.596 3.661 20 0 GHADMP CCc1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)o2)cc1 ZINC000539823127 869854332 /nfs/dbraw/zinc/85/43/32/869854332.db2.gz RMBYZQRUNLHLDD-AUSIDOKSSA-N 2 1 381.564 3.967 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000446584771 870062010 /nfs/dbraw/zinc/06/20/10/870062010.db2.gz XSUIIGAOIDFMCE-UHFFFAOYSA-N 2 1 382.552 3.823 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cc4cc(F)ccc4o3)c2)C1 ZINC000525182462 870124312 /nfs/dbraw/zinc/12/43/12/870124312.db2.gz AZQWFERGIYPYOQ-GOSISDBHSA-N 2 1 395.478 3.559 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000525224887 870198619 /nfs/dbraw/zinc/19/86/19/870198619.db2.gz NEBBVGKJSFGFQR-CQSZACIVSA-N 2 1 387.355 3.873 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001170436606 882383676 /nfs/dbraw/zinc/38/36/76/882383676.db2.gz JKHLUKKQMKAVSL-RBUKOAKNSA-N 2 1 388.552 3.748 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000461468770 870248414 /nfs/dbraw/zinc/24/84/14/870248414.db2.gz FEDOZWWQQUHBJH-QFIPXVFZSA-N 2 1 379.548 3.780 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(I)ccc2Cl)CC1 ZINC001205591051 870257515 /nfs/dbraw/zinc/25/75/15/870257515.db2.gz CLLMZIHRXDFFDP-CQSZACIVSA-N 2 1 396.675 3.598 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(I)ccc2Cl)CC1 ZINC001205591051 870257536 /nfs/dbraw/zinc/25/75/36/870257536.db2.gz CLLMZIHRXDFFDP-CQSZACIVSA-N 2 1 396.675 3.598 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000248073025 870280472 /nfs/dbraw/zinc/28/04/72/870280472.db2.gz QRPMRPAAQVNZIG-VWPQPMDRSA-N 2 1 396.535 3.551 20 0 GHADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043697 870292317 /nfs/dbraw/zinc/29/23/17/870292317.db2.gz DQJMHJZNKMSSEX-SIKLNZKXSA-N 2 1 386.584 3.657 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1cccc(Cl)c1 ZINC000538692449 870312232 /nfs/dbraw/zinc/31/22/32/870312232.db2.gz HQHHUAISAABLKZ-FQEVSTJZSA-N 2 1 377.960 3.714 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCCO2 ZINC000248437906 870419699 /nfs/dbraw/zinc/41/96/99/870419699.db2.gz HKOXPFXLQNOXOX-JTHBVZDNSA-N 2 1 380.532 3.955 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Br)s1 ZINC000248452042 870430838 /nfs/dbraw/zinc/43/08/38/870430838.db2.gz PRRIQXSSIXYGKB-XJKSGUPXSA-N 2 1 395.366 3.928 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)C1 ZINC000248465020 870444267 /nfs/dbraw/zinc/44/42/67/870444267.db2.gz ZWHCXPZZTSYHKU-VWNXMTODSA-N 2 1 392.543 3.745 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248544404 870482652 /nfs/dbraw/zinc/48/26/52/870482652.db2.gz CWQSUQNZZONUEZ-WERVVEIQSA-N 2 1 383.580 3.985 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248544404 870482657 /nfs/dbraw/zinc/48/26/57/870482657.db2.gz CWQSUQNZZONUEZ-WERVVEIQSA-N 2 1 383.580 3.985 20 0 GHADMP C[C@H](N[C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248567939 870496919 /nfs/dbraw/zinc/49/69/19/870496919.db2.gz LINRWYIKJUQHMI-XKCSPQBFSA-N 2 1 383.580 3.983 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000122104385 882418234 /nfs/dbraw/zinc/41/82/34/882418234.db2.gz IFUUCCOWQHLISA-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000122104385 882418236 /nfs/dbraw/zinc/41/82/36/882418236.db2.gz IFUUCCOWQHLISA-UHFFFAOYSA-N 2 1 395.975 3.657 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000538750838 870567003 /nfs/dbraw/zinc/56/70/03/870567003.db2.gz BESGPEUUKCEOFK-JOCHJYFZSA-N 3 1 384.612 3.526 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000538750838 870567015 /nfs/dbraw/zinc/56/70/15/870567015.db2.gz BESGPEUUKCEOFK-JOCHJYFZSA-N 3 1 384.612 3.526 20 0 GHADMP CCc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC001192698021 870605048 /nfs/dbraw/zinc/60/50/48/870605048.db2.gz CGJNFJDTXNAOKR-OAQYLSRUSA-N 2 1 393.575 3.943 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)c(F)c1 ZINC000540158819 870619309 /nfs/dbraw/zinc/61/93/09/870619309.db2.gz ZNAHZHXVUVYMSQ-RZAIGCCYSA-N 2 1 385.321 3.617 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000538799186 870630713 /nfs/dbraw/zinc/63/07/13/870630713.db2.gz SCTPQYBAONFBLC-APWZRJJASA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000538799186 870630726 /nfs/dbraw/zinc/63/07/26/870630726.db2.gz SCTPQYBAONFBLC-APWZRJJASA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000538799186 870630735 /nfs/dbraw/zinc/63/07/35/870630735.db2.gz SCTPQYBAONFBLC-APWZRJJASA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001168789013 870736637 /nfs/dbraw/zinc/73/66/37/870736637.db2.gz HGKKKZONGBEHJH-WDOMSKHVSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001168789013 870736645 /nfs/dbraw/zinc/73/66/45/870736645.db2.gz HGKKKZONGBEHJH-WDOMSKHVSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001168789013 870736653 /nfs/dbraw/zinc/73/66/53/870736653.db2.gz HGKKKZONGBEHJH-WDOMSKHVSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)C1(C)CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001168789013 870736661 /nfs/dbraw/zinc/73/66/61/870736661.db2.gz HGKKKZONGBEHJH-WDOMSKHVSA-N 2 1 399.579 3.736 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000463053578 870751292 /nfs/dbraw/zinc/75/12/92/870751292.db2.gz AYJCTLBBLHRBKK-PXDATVDWSA-N 2 1 377.576 3.804 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CC3)cc2)CC1 ZINC000540264819 870871869 /nfs/dbraw/zinc/87/18/69/870871869.db2.gz LTIAHALRPGEWAQ-JOCHJYFZSA-N 2 1 397.950 3.969 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168824245 870876401 /nfs/dbraw/zinc/87/64/01/870876401.db2.gz OELLGGBZJOQJOL-NQIIRXRSSA-N 2 1 387.568 3.681 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168837100 870894578 /nfs/dbraw/zinc/89/45/78/870894578.db2.gz ZRBFBFXSZMVJJL-LEAZDLGRSA-N 2 1 388.556 3.551 20 0 GHADMP c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c(C[NH+](C[C@H]2CCOC2)C2CC2)c1 ZINC000249775530 870908277 /nfs/dbraw/zinc/90/82/77/870908277.db2.gz WIHACMYFJZXUPP-WOJBJXKFSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873676 870958088 /nfs/dbraw/zinc/95/80/88/870958088.db2.gz RZJAKBQXKAYLGF-ZILOHOTNSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873676 870958094 /nfs/dbraw/zinc/95/80/94/870958094.db2.gz RZJAKBQXKAYLGF-ZILOHOTNSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873676 870958101 /nfs/dbraw/zinc/95/81/01/870958101.db2.gz RZJAKBQXKAYLGF-ZILOHOTNSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CN1C(=O)OC(C)(C)C ZINC001168873676 870958106 /nfs/dbraw/zinc/95/81/06/870958106.db2.gz RZJAKBQXKAYLGF-ZILOHOTNSA-N 2 1 399.579 3.982 20 0 GHADMP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000463138292 870988782 /nfs/dbraw/zinc/98/87/82/870988782.db2.gz OMJSNWYCJABZLJ-XMMPIXPASA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000463138292 870988785 /nfs/dbraw/zinc/98/87/85/870988785.db2.gz OMJSNWYCJABZLJ-XMMPIXPASA-N 2 1 381.539 3.697 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000447094880 871015665 /nfs/dbraw/zinc/01/56/65/871015665.db2.gz AUJQACQMOQHNFH-IHLLOCCUSA-N 2 1 398.522 3.899 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775591346 871044375 /nfs/dbraw/zinc/04/43/75/871044375.db2.gz OOGXDEJLPWLKAA-SFHVURJKSA-N 2 1 387.337 3.674 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000538983460 871047401 /nfs/dbraw/zinc/04/74/01/871047401.db2.gz AJMBWYKVIFGLDI-UWJYYQICSA-N 2 1 389.515 3.750 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463205293 871132054 /nfs/dbraw/zinc/13/20/54/871132054.db2.gz MOFYLOMMGLUPAI-BVSLBCMMSA-N 2 1 379.548 3.917 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000463205293 871132068 /nfs/dbraw/zinc/13/20/68/871132068.db2.gz MOFYLOMMGLUPAI-BVSLBCMMSA-N 2 1 379.548 3.917 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449080911 871197868 /nfs/dbraw/zinc/19/78/68/871197868.db2.gz AGIINMGBRRVALX-SFHVURJKSA-N 2 1 386.561 3.612 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001169139412 871229141 /nfs/dbraw/zinc/22/91/41/871229141.db2.gz BWKZJSSLSPQRQF-WKCHPHFGSA-N 2 1 391.600 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169154684 871268400 /nfs/dbraw/zinc/26/84/00/871268400.db2.gz RVKHJPHELNEDIL-BWTSREIZSA-N 2 1 395.469 3.525 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463279626 871318114 /nfs/dbraw/zinc/31/81/14/871318114.db2.gz KEPNZFRKVLDUMG-XLIONFOSSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463279626 871318139 /nfs/dbraw/zinc/31/81/39/871318139.db2.gz KEPNZFRKVLDUMG-XLIONFOSSA-N 2 1 383.502 3.903 20 0 GHADMP CC[NH+]1CCC([NH2+]C2(Cc3ccccc3Br)CCOCC2)CC1 ZINC001169240909 871339259 /nfs/dbraw/zinc/33/92/59/871339259.db2.gz FMUGUYPODPZVHZ-UHFFFAOYSA-N 2 1 381.358 3.615 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000461998581 871418072 /nfs/dbraw/zinc/41/80/72/871418072.db2.gz VKYLCUUVKCMYGY-AZUAARDMSA-N 2 1 394.629 3.894 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(C)c1I ZINC001205653375 871502546 /nfs/dbraw/zinc/50/25/46/871502546.db2.gz UARACJNHMAWKOK-MLGOLLRUSA-N 2 1 386.321 3.715 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001169453033 871514818 /nfs/dbraw/zinc/51/48/18/871514818.db2.gz SJEMEMDCGVEVPT-OAHLLOKOSA-N 2 1 385.474 3.602 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001169467279 871542990 /nfs/dbraw/zinc/54/29/90/871542990.db2.gz MBPMQOXQRPHCTB-UYAOXDASSA-N 2 1 375.557 3.603 20 0 GHADMP CC(C)([NH3+])c1ccccc1N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169517491 871624644 /nfs/dbraw/zinc/62/46/44/871624644.db2.gz FJHOXSLKADBNLR-NQIIRXRSSA-N 2 1 381.520 3.752 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000539307134 871699132 /nfs/dbraw/zinc/69/91/32/871699132.db2.gz QJYMKZKWYFRGKY-UIFIKXQLSA-N 2 1 378.582 3.506 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 ZINC000539307132 871699383 /nfs/dbraw/zinc/69/93/83/871699383.db2.gz QJYMKZKWYFRGKY-QMMLZNLJSA-N 2 1 378.582 3.506 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169670114 871738794 /nfs/dbraw/zinc/73/87/94/871738794.db2.gz XJOQWTAOUSNJPK-ACRUOGEOSA-N 2 1 391.531 3.909 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001169708113 871791974 /nfs/dbraw/zinc/79/19/74/871791974.db2.gz YDGZHNWDDUFJRA-QFIPXVFZSA-N 2 1 387.568 3.841 20 0 GHADMP C[NH+](C)CCC(C)(C)Nc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001169712063 871799381 /nfs/dbraw/zinc/79/93/81/871799381.db2.gz WEWRTYAPFUSCHJ-UHFFFAOYSA-N 2 1 377.609 3.886 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000552060025 871958265 /nfs/dbraw/zinc/95/82/65/871958265.db2.gz DVGMUCQRTFCBQR-UHFFFAOYSA-N 2 1 378.516 3.961 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540721091 871999568 /nfs/dbraw/zinc/99/95/68/871999568.db2.gz FBYIDQAIQZSIPO-MDASCCDHSA-N 2 1 398.954 3.642 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540721091 871999593 /nfs/dbraw/zinc/99/95/93/871999593.db2.gz FBYIDQAIQZSIPO-MDASCCDHSA-N 2 1 398.954 3.642 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000775622476 872064109 /nfs/dbraw/zinc/06/41/09/872064109.db2.gz WGDRQIMVRGVSGV-PCCBWWKXSA-N 2 1 387.568 3.934 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CC[C@H]3CCCC[NH+]3C)C2)s1 ZINC000552135435 872079512 /nfs/dbraw/zinc/07/95/12/872079512.db2.gz NOLWLWTURLOBCY-RBUKOAKNSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)s1 ZINC000552135435 872079537 /nfs/dbraw/zinc/07/95/37/872079537.db2.gz NOLWLWTURLOBCY-RBUKOAKNSA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)CC[C@H]3CCCC[N@H+]3C)C2)s1 ZINC000552135435 872079557 /nfs/dbraw/zinc/07/95/57/872079557.db2.gz NOLWLWTURLOBCY-RBUKOAKNSA-N 2 1 377.598 3.601 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(c2ncc3n2CCCC3)CC1)c1ccccc1 ZINC000447681453 872091491 /nfs/dbraw/zinc/09/14/91/872091491.db2.gz ZNSRFNTWOXHGNQ-OAQYLSRUSA-N 2 1 380.536 3.618 20 0 GHADMP CCN(C)[C@@H](C(=O)N1CCC(c2ncc3n2CCCC3)CC1)c1ccccc1 ZINC000447681453 872091514 /nfs/dbraw/zinc/09/15/14/872091514.db2.gz ZNSRFNTWOXHGNQ-OAQYLSRUSA-N 2 1 380.536 3.618 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000447725913 872165164 /nfs/dbraw/zinc/16/51/64/872165164.db2.gz CUHMFRQMVJXTLI-UHFFFAOYSA-N 2 1 381.967 3.902 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C3CC[NH+](CC(C)C)CC3)c2C)cc1 ZINC000463734570 872441374 /nfs/dbraw/zinc/44/13/74/872441374.db2.gz CAVIMMQKJMLADC-UHFFFAOYSA-N 2 1 384.568 3.767 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000541264574 873262759 /nfs/dbraw/zinc/26/27/59/873262759.db2.gz OINUNWYWWAIBIX-HSZRJFAPSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000541264574 873262777 /nfs/dbraw/zinc/26/27/77/873262777.db2.gz OINUNWYWWAIBIX-HSZRJFAPSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000541264574 873262793 /nfs/dbraw/zinc/26/27/93/873262793.db2.gz OINUNWYWWAIBIX-HSZRJFAPSA-N 2 1 379.548 3.731 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(Cn3ncc4cccc(OCc5ccccc5)c43)CC[C@@H]21 ZINC000768495293 873354120 /nfs/dbraw/zinc/35/41/20/873354120.db2.gz PFIPGZMDTZXYSG-VXKWHMMOSA-N 2 1 390.531 3.989 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527644580 873395091 /nfs/dbraw/zinc/39/50/91/873395091.db2.gz JFPRGAJBMGFBMX-GFCCVEGCSA-N 2 1 383.359 3.722 20 0 GHADMP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000768678334 873449599 /nfs/dbraw/zinc/44/95/99/873449599.db2.gz NJFVXWOEIGGIHD-AQNXPRMDSA-N 2 1 397.604 3.645 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(F)cc1OC ZINC000527654958 873450592 /nfs/dbraw/zinc/45/05/92/873450592.db2.gz VDZOSZJZLMQNDI-IBGZPJMESA-N 2 1 386.511 3.887 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)cc1OC ZINC000527654958 873450601 /nfs/dbraw/zinc/45/06/01/873450601.db2.gz VDZOSZJZLMQNDI-IBGZPJMESA-N 2 1 386.511 3.887 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2csc(-c3cnn(C)c3)n2)C[N@H+]1Cc1ccccc1 ZINC000527684103 873491714 /nfs/dbraw/zinc/49/17/14/873491714.db2.gz RYJNOLMXFGDUNN-PKOBYXMFSA-N 2 1 395.576 3.934 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527718325 873525235 /nfs/dbraw/zinc/52/52/35/873525235.db2.gz IJWYXYFOKVPQEM-GFCCVEGCSA-N 2 1 383.359 3.722 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cccn1 ZINC000527940917 873785034 /nfs/dbraw/zinc/78/50/34/873785034.db2.gz WXBRVQPMPIEIAF-AKHDSKFASA-N 2 1 378.442 3.772 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cccn1 ZINC000527940917 873785041 /nfs/dbraw/zinc/78/50/41/873785041.db2.gz WXBRVQPMPIEIAF-AKHDSKFASA-N 2 1 378.442 3.772 20 0 GHADMP CC[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527947410 873792777 /nfs/dbraw/zinc/79/27/77/873792777.db2.gz IOSHWXQEQSOICW-PZJWPPBQSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2=O)c1 ZINC000541599421 873917693 /nfs/dbraw/zinc/91/76/93/873917693.db2.gz LYIJYBGUBODDNV-LQWHRVPQSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)C2=O)c1 ZINC000541599421 873917696 /nfs/dbraw/zinc/91/76/96/873917696.db2.gz LYIJYBGUBODDNV-LQWHRVPQSA-N 2 1 387.543 3.872 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541584591 873925761 /nfs/dbraw/zinc/92/57/61/873925761.db2.gz KHIIWKLOTSJNSI-INIZCTEOSA-N 2 1 399.501 3.906 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000541584591 873925772 /nfs/dbraw/zinc/92/57/72/873925772.db2.gz KHIIWKLOTSJNSI-INIZCTEOSA-N 2 1 399.501 3.906 20 0 GHADMP c1ccc2nc(N3CCOCC3)c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000769465698 874089350 /nfs/dbraw/zinc/08/93/50/874089350.db2.gz BTSRSUHRVARAMI-JOCHJYFZSA-N 2 1 394.563 3.522 20 0 GHADMP c1ccc2nc(N3CCOCC3)c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2c1 ZINC000769465698 874089371 /nfs/dbraw/zinc/08/93/71/874089371.db2.gz BTSRSUHRVARAMI-JOCHJYFZSA-N 2 1 394.563 3.522 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001198034971 874191150 /nfs/dbraw/zinc/19/11/50/874191150.db2.gz JBNJTQWVRCTUPU-UHFFFAOYSA-N 2 1 395.454 3.661 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541763497 874231108 /nfs/dbraw/zinc/23/11/08/874231108.db2.gz OHAXNCCLWSDOKG-JRGCBEDISA-N 2 1 399.966 3.627 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541763497 874231122 /nfs/dbraw/zinc/23/11/22/874231122.db2.gz OHAXNCCLWSDOKG-JRGCBEDISA-N 2 1 399.966 3.627 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541763496 874231649 /nfs/dbraw/zinc/23/16/49/874231649.db2.gz OHAXNCCLWSDOKG-DUXKGJEZSA-N 2 1 399.966 3.627 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541763496 874231659 /nfs/dbraw/zinc/23/16/59/874231659.db2.gz OHAXNCCLWSDOKG-DUXKGJEZSA-N 2 1 399.966 3.627 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1)c1ccccc1 ZINC000448983612 874314496 /nfs/dbraw/zinc/31/44/96/874314496.db2.gz OISSOXXZUMRIAB-GOSISDBHSA-N 2 1 389.503 3.661 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666091037 882826476 /nfs/dbraw/zinc/82/64/76/882826476.db2.gz KVHBLLYGPJRILM-MIZPHKNDSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666091037 882826497 /nfs/dbraw/zinc/82/64/97/882826497.db2.gz KVHBLLYGPJRILM-MIZPHKNDSA-N 2 1 384.951 3.670 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000449073865 874453798 /nfs/dbraw/zinc/45/37/98/874453798.db2.gz ANIVUMAEKQGYEO-IBGZPJMESA-N 2 1 379.548 3.622 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464848746 874633744 /nfs/dbraw/zinc/63/37/44/874633744.db2.gz AZXJLYHUNWGJTA-LWSSLDFYSA-N 2 1 384.564 3.688 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1F ZINC000464868274 874645099 /nfs/dbraw/zinc/64/50/99/874645099.db2.gz KRKOIXITWWPKAW-UHFFFAOYSA-N 2 1 384.495 3.956 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000464894838 874734378 /nfs/dbraw/zinc/73/43/78/874734378.db2.gz PRCUFTAAMZOWGJ-ZJSXRUAMSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000464894838 874734385 /nfs/dbraw/zinc/73/43/85/874734385.db2.gz PRCUFTAAMZOWGJ-ZJSXRUAMSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000464894838 874734393 /nfs/dbraw/zinc/73/43/93/874734393.db2.gz PRCUFTAAMZOWGJ-ZJSXRUAMSA-N 2 1 391.559 3.774 20 0 GHADMP CC1(C)C[N@@H+](Cc2cccc(C(N)=O)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449415433 874809079 /nfs/dbraw/zinc/80/90/79/874809079.db2.gz OZLHVMZEQGLMDP-QHCPKHFHSA-N 2 1 391.559 3.908 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000528677400 874873317 /nfs/dbraw/zinc/87/33/17/874873317.db2.gz ATVLFBNQWRCIHE-IMCXTFKOSA-N 2 1 383.580 3.666 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000528677400 874873322 /nfs/dbraw/zinc/87/33/22/874873322.db2.gz ATVLFBNQWRCIHE-IMCXTFKOSA-N 2 1 383.580 3.666 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000528677400 874873328 /nfs/dbraw/zinc/87/33/28/874873328.db2.gz ATVLFBNQWRCIHE-IMCXTFKOSA-N 2 1 383.580 3.666 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)NCc3ccccc3Cl)C2)CC1 ZINC000303057753 874908645 /nfs/dbraw/zinc/90/86/45/874908645.db2.gz XFLBTIAMCNLAEF-LJQANCHMSA-N 2 1 391.987 3.790 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000449493162 874926671 /nfs/dbraw/zinc/92/66/71/874926671.db2.gz DJPGAFPSWXNLSK-HSZRJFAPSA-N 2 1 385.596 3.619 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000449493162 874926681 /nfs/dbraw/zinc/92/66/81/874926681.db2.gz DJPGAFPSWXNLSK-HSZRJFAPSA-N 2 1 385.596 3.619 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000449493162 874926686 /nfs/dbraw/zinc/92/66/86/874926686.db2.gz DJPGAFPSWXNLSK-HSZRJFAPSA-N 2 1 385.596 3.619 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000449493162 874926697 /nfs/dbraw/zinc/92/66/97/874926697.db2.gz DJPGAFPSWXNLSK-HSZRJFAPSA-N 2 1 385.596 3.619 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](Cc3csc4ccccc34)C2)CC1 ZINC000449506401 874970002 /nfs/dbraw/zinc/97/00/02/874970002.db2.gz SGZIPXZYLFNPMB-IBGZPJMESA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3csc4ccccc34)C2)CC1 ZINC000449506401 874970017 /nfs/dbraw/zinc/97/00/17/874970017.db2.gz SGZIPXZYLFNPMB-IBGZPJMESA-N 2 1 385.577 3.668 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3csc4ccccc34)C2)CC1 ZINC000449506401 874970027 /nfs/dbraw/zinc/97/00/27/874970027.db2.gz SGZIPXZYLFNPMB-IBGZPJMESA-N 2 1 385.577 3.668 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@H](c4ccncc4)C3)CC2)cc1 ZINC000449537089 875018659 /nfs/dbraw/zinc/01/86/59/875018659.db2.gz JENWJBCLTGRRFU-GOTSBHOMSA-N 2 1 383.511 3.738 20 0 GHADMP C[C@H]1CCCN(Cc2csc(NC(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)n2)C1 ZINC000528879046 875206816 /nfs/dbraw/zinc/20/68/16/875206816.db2.gz VIJJRXFEULGFAA-YJBOKZPZSA-N 2 1 391.585 3.513 20 0 GHADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001199934265 875249734 /nfs/dbraw/zinc/24/97/34/875249734.db2.gz RNNCIJFHWXTFOV-JOCHJYFZSA-N 2 1 399.510 3.650 20 0 GHADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001199934265 875249746 /nfs/dbraw/zinc/24/97/46/875249746.db2.gz RNNCIJFHWXTFOV-JOCHJYFZSA-N 2 1 399.510 3.650 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000771451884 875251149 /nfs/dbraw/zinc/25/11/49/875251149.db2.gz GJSMNCIBNDHTFW-UHFFFAOYSA-N 2 1 381.520 3.536 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OCc1cccnc1 ZINC000105457050 875298526 /nfs/dbraw/zinc/29/85/26/875298526.db2.gz MUWIFFODEFIEFJ-FQEVSTJZSA-N 2 1 383.536 3.879 20 0 GHADMP C[C@H](CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCC1 ZINC000542380116 875452396 /nfs/dbraw/zinc/45/23/96/875452396.db2.gz ZGGVJYCXGGNROK-APWZRJJASA-N 2 1 380.964 3.506 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)C[C@H](C)O1 ZINC000237667781 882934100 /nfs/dbraw/zinc/93/41/00/882934100.db2.gz OCZOQGJFXPBLRC-OKILXGFUSA-N 2 1 376.875 3.920 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)sc2C1 ZINC000542386899 875486467 /nfs/dbraw/zinc/48/64/67/875486467.db2.gz IAHKECHQSNTPEH-UHFFFAOYSA-N 2 1 393.516 3.722 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)sc2C1 ZINC000542386899 875486475 /nfs/dbraw/zinc/48/64/75/875486475.db2.gz IAHKECHQSNTPEH-UHFFFAOYSA-N 2 1 393.516 3.722 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)sc2C1 ZINC000542389012 875490748 /nfs/dbraw/zinc/49/07/48/875490748.db2.gz AZUJXJNWUZTLEE-IBGZPJMESA-N 2 1 398.576 3.903 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3)sc2C1 ZINC000542389012 875490751 /nfs/dbraw/zinc/49/07/51/875490751.db2.gz AZUJXJNWUZTLEE-IBGZPJMESA-N 2 1 398.576 3.903 20 0 GHADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000542405498 875509202 /nfs/dbraw/zinc/50/92/02/875509202.db2.gz JMCMNUZMQCYBMP-MBSDFSHPSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542405498 875509204 /nfs/dbraw/zinc/50/92/04/875509204.db2.gz JMCMNUZMQCYBMP-MBSDFSHPSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542405498 875509205 /nfs/dbraw/zinc/50/92/05/875509205.db2.gz JMCMNUZMQCYBMP-MBSDFSHPSA-N 2 1 377.532 3.531 20 0 GHADMP C[C@@H](c1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1)N1CCOCC1 ZINC000449846239 875510415 /nfs/dbraw/zinc/51/04/15/875510415.db2.gz WTVWLSAGCMBKRM-PGRDOPGGSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491403030 875671852 /nfs/dbraw/zinc/67/18/52/875671852.db2.gz WFCIGIGMKLORCH-PMACEKPBSA-N 2 1 389.547 3.573 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001201415349 875677646 /nfs/dbraw/zinc/67/76/46/875677646.db2.gz BWRSGGOTHVSTFE-RTFZILSDSA-N 2 1 391.575 3.775 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001201409617 875690217 /nfs/dbraw/zinc/69/02/17/875690217.db2.gz BVIOLGSMSVUUMR-UNMCSNQZSA-N 2 1 376.585 3.572 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2C2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC001201490362 875718364 /nfs/dbraw/zinc/71/83/64/875718364.db2.gz CKBLUCVGZKBFNQ-FPOVZHCZSA-N 2 1 396.579 3.704 20 0 GHADMP C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516624054 875962911 /nfs/dbraw/zinc/96/29/11/875962911.db2.gz FEKVEVQUDZYUAT-KRWDZBQOSA-N 2 1 396.535 3.537 20 0 GHADMP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1C(=O)OC(C)(C)C ZINC000858327215 883029242 /nfs/dbraw/zinc/02/92/42/883029242.db2.gz LVZNLWFMIXVURZ-NQIIRXRSSA-N 2 1 387.568 3.681 20 0 GHADMP Clc1cc(C[NH+]2CC[C@]3(CCOC3)C2)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000450488573 876513950 /nfs/dbraw/zinc/51/39/50/876513950.db2.gz XYMCBTHJBPGKSU-VXKWHMMOSA-N 2 1 390.955 3.565 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000850036342 876620426 /nfs/dbraw/zinc/62/04/26/876620426.db2.gz IQVFNWXXPDHSIZ-UHFFFAOYSA-N 2 1 384.524 3.665 20 0 GHADMP CCC[N@H+](CCCc1cc(CC)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450568881 876629771 /nfs/dbraw/zinc/62/97/71/876629771.db2.gz VWUARUKPMYRNRU-UHFFFAOYSA-N 2 1 385.556 3.957 20 0 GHADMP CCC[N@@H+](CCCc1cc(CC)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450568881 876629774 /nfs/dbraw/zinc/62/97/74/876629774.db2.gz VWUARUKPMYRNRU-UHFFFAOYSA-N 2 1 385.556 3.957 20 0 GHADMP COC(=O)CC1CCC(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000858401888 883071169 /nfs/dbraw/zinc/07/11/69/883071169.db2.gz SQPAFMLIATWMIW-UHFFFAOYSA-N 2 1 387.568 3.998 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000492464109 876872520 /nfs/dbraw/zinc/87/25/20/876872520.db2.gz KGLXJJLNFYYMNQ-AZUAARDMSA-N 2 1 381.520 3.524 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000492464109 876872529 /nfs/dbraw/zinc/87/25/29/876872529.db2.gz KGLXJJLNFYYMNQ-AZUAARDMSA-N 2 1 381.520 3.524 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc[nH+]c4ccsc43)CC2)cc1 ZINC000450784993 876886473 /nfs/dbraw/zinc/88/64/73/876886473.db2.gz MBUWOWKPGXKCJF-UHFFFAOYSA-N 2 1 380.517 3.753 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836912 876956799 /nfs/dbraw/zinc/95/67/99/876956799.db2.gz QENPMKJOXDCVDA-IPJJNNNSSA-N 2 1 392.547 3.920 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836912 876956807 /nfs/dbraw/zinc/95/68/07/876956807.db2.gz QENPMKJOXDCVDA-IPJJNNNSSA-N 2 1 392.547 3.920 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2)CC1 ZINC000537670821 883085975 /nfs/dbraw/zinc/08/59/75/883085975.db2.gz RUWNDRCQKRONFR-GGAORHGYSA-N 2 1 398.595 3.909 20 0 GHADMP C[C@@H]([NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850566087 877032089 /nfs/dbraw/zinc/03/20/89/877032089.db2.gz VGQQMCKZJBFOQA-ORMLZTFFSA-N 2 1 399.579 3.886 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850580464 877052421 /nfs/dbraw/zinc/05/24/21/877052421.db2.gz NENAKVHIGJAPMW-UVFQYZLESA-N 2 1 378.438 3.638 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000850580795 877054638 /nfs/dbraw/zinc/05/46/38/877054638.db2.gz REDPMTXEZQBCKF-QVKFZJNVSA-N 2 1 392.465 3.823 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000850582766 877056883 /nfs/dbraw/zinc/05/68/83/877056883.db2.gz LCLHVBSBPVJVBG-HXPMCKFVSA-N 2 1 375.394 3.982 20 0 GHADMP CC[C@@H]1C[NH+](Cc2cc(C[N@H+]3CCCO[C@H](CC)C3)ccc2F)CCCO1 ZINC000450899419 877061814 /nfs/dbraw/zinc/06/18/14/877061814.db2.gz DLUKQZNLMUVEAV-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP CC[C@@H]1C[NH+](Cc2ccc(F)c(C[N@@H+]3CCCO[C@H](CC)C3)c2)CCCO1 ZINC000450899419 877061822 /nfs/dbraw/zinc/06/18/22/877061822.db2.gz DLUKQZNLMUVEAV-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP CC[C@@H]1C[NH+](Cc2ccc(F)c(C[N@H+]3CCCO[C@H](CC)C3)c2)CCCO1 ZINC000450899419 877061830 /nfs/dbraw/zinc/06/18/30/877061830.db2.gz DLUKQZNLMUVEAV-NHCUHLMSSA-N 2 1 378.532 3.828 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000174891591 877312677 /nfs/dbraw/zinc/31/26/77/877312677.db2.gz WDSAZXKALFGWLC-IBGZPJMESA-N 2 1 397.567 3.935 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000477268028 877340790 /nfs/dbraw/zinc/34/07/90/877340790.db2.gz VLMSXFQBVZRYPC-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240444 877349751 /nfs/dbraw/zinc/34/97/51/877349751.db2.gz LCEPPEAEXAUSFI-GOEBONIOSA-N 2 1 378.467 3.583 20 0 GHADMP Fc1ccc(-c2nc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000530240815 877350306 /nfs/dbraw/zinc/35/03/06/877350306.db2.gz OFMDMBFTBWRIOV-IBGZPJMESA-N 2 1 375.513 3.540 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000136747224 877362044 /nfs/dbraw/zinc/36/20/44/877362044.db2.gz YAZZFNAIFAWDKE-DHIUTWEWSA-N 2 1 398.595 3.544 20 0 GHADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000642630846 912229081 /nfs/dbraw/zinc/22/90/81/912229081.db2.gz NJHGWEVVGPZCHZ-GOTSBHOMSA-N 2 1 387.531 3.710 20 0 GHADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000642630846 912229126 /nfs/dbraw/zinc/22/91/26/912229126.db2.gz NJHGWEVVGPZCHZ-GOTSBHOMSA-N 2 1 387.531 3.710 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H](Oc4ccccc4)C3(C)C)CC2)nc(C)[nH+]1 ZINC000551533307 877393726 /nfs/dbraw/zinc/39/37/26/877393726.db2.gz KLLVSNKOGQLSCE-SFTDATJTSA-N 2 1 380.536 3.898 20 0 GHADMP COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000551572872 877460629 /nfs/dbraw/zinc/46/06/29/877460629.db2.gz XPPMXZBYZFIMJF-CVDCTZTESA-N 2 1 380.532 3.661 20 0 GHADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000137455095 877547391 /nfs/dbraw/zinc/54/73/91/877547391.db2.gz TXZHZSJFXZNUNY-HXUWFJFHSA-N 2 1 387.568 3.858 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175589864 877783428 /nfs/dbraw/zinc/78/34/28/877783428.db2.gz SNRAONGWSRHEQK-UHFFFAOYSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245421620 877847612 /nfs/dbraw/zinc/84/76/12/877847612.db2.gz IBJIWDZCYHKNQD-RTWAWAEBSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530460487 877863137 /nfs/dbraw/zinc/86/31/37/877863137.db2.gz YAEDOVYNSQQXHY-NSHDSACASA-N 2 1 388.821 3.642 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)cn1 ZINC000788244654 877945986 /nfs/dbraw/zinc/94/59/86/877945986.db2.gz HZDDALTVDXWZLZ-MOPGFXCFSA-N 2 1 399.539 3.891 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)oc1C ZINC000530545568 878031419 /nfs/dbraw/zinc/03/14/19/878031419.db2.gz IQNJZGNECDWVJQ-PCCBWWKXSA-N 2 1 375.557 3.688 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000788539537 878134717 /nfs/dbraw/zinc/13/47/17/878134717.db2.gz MSEDPWKYANLLSN-HBMCJLEFSA-N 2 1 387.568 3.998 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534188 878154465 /nfs/dbraw/zinc/15/44/65/878154465.db2.gz MXTCDWBUMYPBKB-MJGOQNOKSA-N 2 1 377.960 3.667 20 0 GHADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000451534188 878154474 /nfs/dbraw/zinc/15/44/74/878154474.db2.gz MXTCDWBUMYPBKB-MJGOQNOKSA-N 2 1 377.960 3.667 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc(Br)ccc1F ZINC000788648118 878208477 /nfs/dbraw/zinc/20/84/77/878208477.db2.gz XKHQSZVQWFEYMU-HZSPNIEDSA-N 2 1 388.325 3.523 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852301182 878215488 /nfs/dbraw/zinc/21/54/88/878215488.db2.gz OGUCVIJHMSQDHG-FQEVSTJZSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852301182 878215507 /nfs/dbraw/zinc/21/55/07/878215507.db2.gz OGUCVIJHMSQDHG-FQEVSTJZSA-N 2 1 390.572 3.941 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC001183136325 912323766 /nfs/dbraw/zinc/32/37/66/912323766.db2.gz UYZGYNQRZCEHAB-VXKWHMMOSA-N 2 1 381.520 3.649 20 0 GHADMP CC(C)[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000245656727 878297332 /nfs/dbraw/zinc/29/73/32/878297332.db2.gz CQJOZTSHPDHFSI-IEBWSBKVSA-N 2 1 380.602 3.549 20 0 GHADMP O=C(N1CCC[C@H]([C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000852472751 878350225 /nfs/dbraw/zinc/35/02/25/878350225.db2.gz CMSPLXLYVLMYJE-ZWKOTPCHSA-N 2 1 389.506 3.518 20 0 GHADMP O=C(CC1CCCCC1)NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245684070 878370740 /nfs/dbraw/zinc/37/07/40/878370740.db2.gz JGLVQQVZCBWREO-WBDAEOGXSA-N 2 1 383.580 3.858 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000245774912 878577146 /nfs/dbraw/zinc/57/71/46/878577146.db2.gz XYBJWOJVGXQCQF-PESUVLPXSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@@H](C)O1 ZINC000245774912 878577158 /nfs/dbraw/zinc/57/71/58/878577158.db2.gz XYBJWOJVGXQCQF-PESUVLPXSA-N 2 1 385.596 3.661 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000852753948 878579587 /nfs/dbraw/zinc/57/95/87/878579587.db2.gz LTCLWGCTYVSQCY-HNNXBMFYSA-N 2 1 383.508 3.651 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1Cl ZINC000177842730 878883505 /nfs/dbraw/zinc/88/35/05/878883505.db2.gz FFGFGJNGQKXLNX-XLIONFOSSA-N 2 1 394.991 3.706 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000177877152 878900818 /nfs/dbraw/zinc/90/08/18/878900818.db2.gz UJCSIQHXPFZMKK-VQTJNVASSA-N 2 1 386.584 3.633 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(SC)cc1OC ZINC000246086495 878950071 /nfs/dbraw/zinc/95/00/71/878950071.db2.gz IGYIKBLWFNHEMQ-MAUKXSAKSA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(SC)cc1OC ZINC000246086495 878950084 /nfs/dbraw/zinc/95/00/84/878950084.db2.gz IGYIKBLWFNHEMQ-MAUKXSAKSA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(SC)cc1OC ZINC000246086495 878950096 /nfs/dbraw/zinc/95/00/96/878950096.db2.gz IGYIKBLWFNHEMQ-MAUKXSAKSA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(SC)cc1OC ZINC000246086495 878950108 /nfs/dbraw/zinc/95/01/08/878950108.db2.gz IGYIKBLWFNHEMQ-MAUKXSAKSA-N 2 1 376.566 3.874 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccccc3)C3CC3)c2)C1 ZINC000246112321 879003252 /nfs/dbraw/zinc/00/32/52/879003252.db2.gz PUKYNQRLLQQTOC-DHIUTWEWSA-N 2 1 377.532 3.625 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000538219708 879038061 /nfs/dbraw/zinc/03/80/61/879038061.db2.gz SFAUMGGSDQOVES-QFIPXVFZSA-N 2 1 387.568 3.746 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000246137776 879040346 /nfs/dbraw/zinc/04/03/46/879040346.db2.gz JHOGWIWBRRQLLJ-UYAOXDASSA-N 2 1 392.613 3.552 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000531065173 879055936 /nfs/dbraw/zinc/05/59/36/879055936.db2.gz UHYXDKYCNSTPFJ-DEOSSOPVSA-N 2 1 393.575 3.879 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000178606759 879157133 /nfs/dbraw/zinc/15/71/33/879157133.db2.gz VVIRIJSGCOZUAB-GOTSBHOMSA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000531143141 879229426 /nfs/dbraw/zinc/22/94/26/879229426.db2.gz GUCFJUKDLXWBLU-JWQCQUIFSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000531143141 879229451 /nfs/dbraw/zinc/22/94/51/879229451.db2.gz GUCFJUKDLXWBLU-JWQCQUIFSA-N 2 1 396.575 3.878 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000538373882 879373694 /nfs/dbraw/zinc/37/36/94/879373694.db2.gz DQWWKGOHVZQVSN-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000538373882 879373709 /nfs/dbraw/zinc/37/37/09/879373709.db2.gz DQWWKGOHVZQVSN-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000538373882 879373728 /nfs/dbraw/zinc/37/37/28/879373728.db2.gz DQWWKGOHVZQVSN-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC000854065172 879492834 /nfs/dbraw/zinc/49/28/34/879492834.db2.gz IRSKKJFGRUCDAX-UHFFFAOYSA-N 2 1 381.499 3.991 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC000854065172 879492849 /nfs/dbraw/zinc/49/28/49/879492849.db2.gz IRSKKJFGRUCDAX-UHFFFAOYSA-N 2 1 381.499 3.991 20 0 GHADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790365027 879632630 /nfs/dbraw/zinc/63/26/30/879632630.db2.gz HEVDMNFJYUYWMK-GMAHTHKFSA-N 2 1 385.552 3.512 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461430008 879799000 /nfs/dbraw/zinc/79/90/00/879799000.db2.gz KLMXBNTZYVNNNO-ZRBLBEILSA-N 2 1 395.591 3.622 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461430008 879799006 /nfs/dbraw/zinc/79/90/06/879799006.db2.gz KLMXBNTZYVNNNO-ZRBLBEILSA-N 2 1 395.591 3.622 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461430008 879799015 /nfs/dbraw/zinc/79/90/15/879799015.db2.gz KLMXBNTZYVNNNO-ZRBLBEILSA-N 2 1 395.591 3.622 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000246860858 879831563 /nfs/dbraw/zinc/83/15/63/879831563.db2.gz BYYSQZMOLQYDNW-CVEARBPZSA-N 2 1 396.373 3.876 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2)C1 ZINC000246959599 879863325 /nfs/dbraw/zinc/86/33/25/879863325.db2.gz OCPYWQDIKOJYCM-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2)C1 ZINC000246959599 879863338 /nfs/dbraw/zinc/86/33/38/879863338.db2.gz OCPYWQDIKOJYCM-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2)C1 ZINC000246959599 879863356 /nfs/dbraw/zinc/86/33/56/879863356.db2.gz OCPYWQDIKOJYCM-PTUXOGIPSA-N 2 1 398.595 3.544 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000247127421 879925321 /nfs/dbraw/zinc/92/53/21/879925321.db2.gz RNCRJLKOECYHGG-CVDCTZTESA-N 2 1 379.548 3.745 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@@H](C)C1 ZINC000247127421 879925324 /nfs/dbraw/zinc/92/53/24/879925324.db2.gz RNCRJLKOECYHGG-CVDCTZTESA-N 2 1 379.548 3.745 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247195940 879941077 /nfs/dbraw/zinc/94/10/77/879941077.db2.gz WAAXSZADPYYURI-RTBURBONSA-N 2 1 390.535 3.745 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247313019 879966875 /nfs/dbraw/zinc/96/68/75/879966875.db2.gz HJLRGGBCIKZUGF-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000247415337 879993603 /nfs/dbraw/zinc/99/36/03/879993603.db2.gz ZWGNYYBEHQMVAX-UXHICEINSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247415337 879993611 /nfs/dbraw/zinc/99/36/11/879993611.db2.gz ZWGNYYBEHQMVAX-UXHICEINSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000247415337 879993620 /nfs/dbraw/zinc/99/36/20/879993620.db2.gz ZWGNYYBEHQMVAX-UXHICEINSA-N 2 1 386.584 3.544 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](CC3CC3)c3ccccc3)cc2)CC1 ZINC000531682038 880314125 /nfs/dbraw/zinc/31/41/25/880314125.db2.gz IWXVJFKLHUDCAE-QHCPKHFHSA-N 2 1 377.532 3.705 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOCC3CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453111641 880481981 /nfs/dbraw/zinc/48/19/81/880481981.db2.gz CJHADXCOXWEFHT-HJOGWXRNSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)c2ccccc21 ZINC000185139998 880487699 /nfs/dbraw/zinc/48/76/99/880487699.db2.gz VAWNXGJFSULHGG-INIZCTEOSA-N 2 1 395.938 3.886 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000185841121 880708402 /nfs/dbraw/zinc/70/84/02/880708402.db2.gz UBRVIJICKFDPRR-XZOQPEGZSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000453295287 880743349 /nfs/dbraw/zinc/74/33/49/880743349.db2.gz YEGMFYWLATZUER-TZIWHRDSSA-N 2 1 385.596 3.696 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000531932839 880783625 /nfs/dbraw/zinc/78/36/25/880783625.db2.gz FHRZQJGJLCILDF-RXVVDRJESA-N 2 1 395.576 3.573 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531932267 880783709 /nfs/dbraw/zinc/78/37/09/880783709.db2.gz APAXTJSBXSIICY-WIYYLYMNSA-N 2 1 387.593 3.656 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cc1N(C)C ZINC000531932094 880785105 /nfs/dbraw/zinc/78/51/05/880785105.db2.gz NDFFPAUXDBEHHK-UZLBHIALSA-N 2 1 390.572 3.593 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000531932979 880786206 /nfs/dbraw/zinc/78/62/06/880786206.db2.gz GACJPCSORQBHPU-MSOLQXFVSA-N 2 1 379.976 3.931 20 0 GHADMP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)c2ccccc2)CC1 ZINC000531965301 880831454 /nfs/dbraw/zinc/83/14/54/880831454.db2.gz SBLCLIFIQBQMMF-RTWAWAEBSA-N 2 1 385.552 3.941 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000453364577 880845769 /nfs/dbraw/zinc/84/57/69/880845769.db2.gz VIIJCTKQFACYPJ-MOGNJTFLSA-N 2 1 394.563 3.673 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453403559 880869661 /nfs/dbraw/zinc/86/96/61/880869661.db2.gz GWKZCZICURBRFY-CDIGIKMISA-N 2 1 391.559 3.519 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000453403559 880869670 /nfs/dbraw/zinc/86/96/70/880869670.db2.gz GWKZCZICURBRFY-CDIGIKMISA-N 2 1 391.559 3.519 20 0 GHADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453390091 880886881 /nfs/dbraw/zinc/88/68/81/880886881.db2.gz CXARRVGNOBANIW-LEWJYISDSA-N 2 1 378.582 3.544 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000643325987 912629905 /nfs/dbraw/zinc/62/99/05/912629905.db2.gz ZHRUSRRFWMJCEA-HDYDNRTBSA-N 2 1 387.568 3.542 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000187022430 881051183 /nfs/dbraw/zinc/05/11/83/881051183.db2.gz DXBAKJKBWOJOSO-AYBZRNKSSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000187022430 881051198 /nfs/dbraw/zinc/05/11/98/881051198.db2.gz DXBAKJKBWOJOSO-AYBZRNKSSA-N 2 1 395.975 3.702 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000187168731 881090044 /nfs/dbraw/zinc/09/00/44/881090044.db2.gz KTHSTKHGNUWDRA-KDURUIRLSA-N 2 1 383.536 3.736 20 0 GHADMP Cc1cc(Br)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000453593421 881114612 /nfs/dbraw/zinc/11/46/12/881114612.db2.gz JIZOJSJZSLZQLR-UHFFFAOYSA-N 2 1 398.370 3.834 20 0 GHADMP CC1(C)C[C@@H](Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C[N@H+]1Cc1ccccc1 ZINC000643348915 912648707 /nfs/dbraw/zinc/64/87/07/912648707.db2.gz IOYVWYMDTZBEQZ-PKTZIBPZSA-N 2 1 379.548 3.718 20 0 GHADMP CC1(C)C[C@@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)C[NH+]1Cc1ccccc1 ZINC000643348915 912648716 /nfs/dbraw/zinc/64/87/16/912648716.db2.gz IOYVWYMDTZBEQZ-PKTZIBPZSA-N 2 1 379.548 3.718 20 0 GHADMP CC1(C)C[C@@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)C[NH+]1Cc1ccccc1 ZINC000643348915 912648729 /nfs/dbraw/zinc/64/87/29/912648729.db2.gz IOYVWYMDTZBEQZ-PKTZIBPZSA-N 2 1 379.548 3.718 20 0 GHADMP COc1ccc(C[C@@H](C)C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc1F ZINC000187496936 881213915 /nfs/dbraw/zinc/21/39/15/881213915.db2.gz DQAMSNFEVNPLHE-GOSISDBHSA-N 2 1 378.532 3.638 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000119938685 881218721 /nfs/dbraw/zinc/21/87/21/881218721.db2.gz XQNRMAWFUXVDKX-LJQANCHMSA-N 2 1 397.567 3.655 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000119938685 881218729 /nfs/dbraw/zinc/21/87/29/881218729.db2.gz XQNRMAWFUXVDKX-LJQANCHMSA-N 2 1 397.567 3.655 20 0 GHADMP [NH3+]Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000262987928 881316212 /nfs/dbraw/zinc/31/62/12/881316212.db2.gz NZKWJYOYEUJUNN-GOSISDBHSA-N 2 1 377.410 3.767 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000120255096 881325627 /nfs/dbraw/zinc/32/56/27/881325627.db2.gz SZWDVZDURYYIGJ-FQEVSTJZSA-N 2 1 390.572 3.570 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000134933878 883120165 /nfs/dbraw/zinc/12/01/65/883120165.db2.gz USZSMTZYMINMOM-WTIAFYNJSA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000134933878 883120174 /nfs/dbraw/zinc/12/01/74/883120174.db2.gz USZSMTZYMINMOM-WTIAFYNJSA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000134933878 883120179 /nfs/dbraw/zinc/12/01/79/883120179.db2.gz USZSMTZYMINMOM-WTIAFYNJSA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000134933878 883120183 /nfs/dbraw/zinc/12/01/83/883120183.db2.gz USZSMTZYMINMOM-WTIAFYNJSA-N 2 1 381.564 3.519 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704681 883173959 /nfs/dbraw/zinc/17/39/59/883173959.db2.gz OTXMWDJGNDOWME-PZJWPPBQSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704681 883173967 /nfs/dbraw/zinc/17/39/67/883173967.db2.gz OTXMWDJGNDOWME-PZJWPPBQSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181704681 883173978 /nfs/dbraw/zinc/17/39/78/883173978.db2.gz OTXMWDJGNDOWME-PZJWPPBQSA-N 2 1 377.617 3.858 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000460527551 883175135 /nfs/dbraw/zinc/17/51/35/883175135.db2.gz NYGONLASAUTTNC-YQVWRLOYSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000460527551 883175143 /nfs/dbraw/zinc/17/51/43/883175143.db2.gz NYGONLASAUTTNC-YQVWRLOYSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000460527551 883175147 /nfs/dbraw/zinc/17/51/47/883175147.db2.gz NYGONLASAUTTNC-YQVWRLOYSA-N 2 1 380.602 3.551 20 0 GHADMP CN(C(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000135032507 883176294 /nfs/dbraw/zinc/17/62/94/883176294.db2.gz FWBGOJHMAICUQA-UHFFFAOYSA-N 2 1 379.548 3.884 20 0 GHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000286299485 912676806 /nfs/dbraw/zinc/67/68/06/912676806.db2.gz WPQAYLYXNBZNLK-HSZRJFAPSA-N 2 1 395.547 3.609 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000193775681 883490666 /nfs/dbraw/zinc/49/06/66/883490666.db2.gz WDSNFNRLWUCYST-BJKOFHAPSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193775681 883490672 /nfs/dbraw/zinc/49/06/72/883490672.db2.gz WDSNFNRLWUCYST-BJKOFHAPSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193775681 883490679 /nfs/dbraw/zinc/49/06/79/883490679.db2.gz WDSNFNRLWUCYST-BJKOFHAPSA-N 2 1 391.559 3.537 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476968672 883493530 /nfs/dbraw/zinc/49/35/30/883493530.db2.gz DEXILZJPIZDYIB-RBUKOAKNSA-N 2 1 387.568 3.999 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476968672 883493537 /nfs/dbraw/zinc/49/35/37/883493537.db2.gz DEXILZJPIZDYIB-RBUKOAKNSA-N 2 1 387.568 3.999 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000476978863 883518499 /nfs/dbraw/zinc/51/84/99/883518499.db2.gz DAVMRVZCKMTDPN-IBGZPJMESA-N 2 1 389.559 3.761 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000476987212 883543212 /nfs/dbraw/zinc/54/32/12/883543212.db2.gz QZJISGSWFJCKJN-IBGZPJMESA-N 2 1 397.563 3.649 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000477026185 883564778 /nfs/dbraw/zinc/56/47/78/883564778.db2.gz VFXWTWHKPRSVQL-PBHICJAKSA-N 2 1 385.474 3.563 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000477027991 883588423 /nfs/dbraw/zinc/58/84/23/883588423.db2.gz LTBOMBVSUPTONW-HSZRJFAPSA-N 2 1 391.559 3.804 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000477027991 883588440 /nfs/dbraw/zinc/58/84/40/883588440.db2.gz LTBOMBVSUPTONW-HSZRJFAPSA-N 2 1 391.559 3.804 20 0 GHADMP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213178 883665930 /nfs/dbraw/zinc/66/59/30/883665930.db2.gz UWANPFOHEVALOT-PXNSSMCTSA-N 2 1 385.577 3.994 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC[N@H+]1C ZINC000666172369 883781971 /nfs/dbraw/zinc/78/19/71/883781971.db2.gz NWUFPSFSMCOIBR-LZQXYRQZSA-N 2 1 381.539 3.866 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC[NH+]1C ZINC000666172369 883781992 /nfs/dbraw/zinc/78/19/92/883781992.db2.gz NWUFPSFSMCOIBR-LZQXYRQZSA-N 2 1 381.539 3.866 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)CC2)CC1 ZINC001183748154 912795048 /nfs/dbraw/zinc/79/50/48/912795048.db2.gz ILVFRNLNNFZQHO-QHCPKHFHSA-N 2 1 383.580 3.622 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)CC2)CC1 ZINC001183748154 912795057 /nfs/dbraw/zinc/79/50/57/912795057.db2.gz ILVFRNLNNFZQHO-QHCPKHFHSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001168175968 884267258 /nfs/dbraw/zinc/26/72/58/884267258.db2.gz AJDARBUTXJEWAA-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001168175968 884267279 /nfs/dbraw/zinc/26/72/79/884267279.db2.gz AJDARBUTXJEWAA-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001168175968 884267295 /nfs/dbraw/zinc/26/72/95/884267295.db2.gz AJDARBUTXJEWAA-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(OC)c(C)c1C ZINC000494951748 884279502 /nfs/dbraw/zinc/27/95/02/884279502.db2.gz NNODLQZVHBYPMV-LJQANCHMSA-N 2 1 390.572 3.500 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCCC1 ZINC000465460266 884304517 /nfs/dbraw/zinc/30/45/17/884304517.db2.gz RFFLKYPYSLSWHT-MJGOQNOKSA-N 2 1 392.613 3.695 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(C)=O ZINC000192930157 884314829 /nfs/dbraw/zinc/31/48/29/884314829.db2.gz ZIRLWKHFSJIMKW-YLJYHZDGSA-N 2 1 381.520 3.826 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)[C@@H](c2ccccc2)C1 ZINC000806130739 884388613 /nfs/dbraw/zinc/38/86/13/884388613.db2.gz BMJIOWZRIYRMCS-TZIWHRDSSA-N 2 1 384.955 3.691 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001168177733 884416369 /nfs/dbraw/zinc/41/63/69/884416369.db2.gz RVSBYQWUDQCLSP-KRWDZBQOSA-N 2 1 391.987 3.536 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCCCCNC(=O)OC(C)(C)C ZINC001168284965 884565344 /nfs/dbraw/zinc/56/53/44/884565344.db2.gz PTCHBAORTSULCG-HSALFYBXSA-N 2 1 397.604 3.645 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000898101841 884607470 /nfs/dbraw/zinc/60/74/70/884607470.db2.gz ZRHZTKQSJSVXSG-VMXMFDLUSA-N 2 1 387.568 3.790 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000648749007 884695136 /nfs/dbraw/zinc/69/51/36/884695136.db2.gz GLKMOMOORPGJHM-GOSISDBHSA-N 2 1 395.551 3.567 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1OC ZINC000173409477 884887456 /nfs/dbraw/zinc/88/74/56/884887456.db2.gz TXXKGVKAYOXBLM-INIZCTEOSA-N 2 1 387.524 3.871 20 0 GHADMP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000537537769 885098623 /nfs/dbraw/zinc/09/86/23/885098623.db2.gz ZEOPQZGUPYHEMC-XXBNENTESA-N 2 1 383.536 3.501 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000045790615 885320362 /nfs/dbraw/zinc/32/03/62/885320362.db2.gz ZWDSYEMWSLKJGW-UHFFFAOYSA-N 2 1 388.600 3.838 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000303130356 885462135 /nfs/dbraw/zinc/46/21/35/885462135.db2.gz KFPKJKJLCQBDQG-URVUXULASA-N 2 1 386.584 3.552 20 0 GHADMP c1cc2cccc(-c3noc([C@@H]4C[N@@H+](Cc5ccccc5)CC45C[NH2+]C5)n3)c2o1 ZINC001211917298 885575381 /nfs/dbraw/zinc/57/53/81/885575381.db2.gz XVQMRWVOSNKZAW-IBGZPJMESA-N 2 1 386.455 3.672 20 0 GHADMP c1cc2cccc(-c3noc([C@@H]4C[N@H+](Cc5ccccc5)CC45C[NH2+]C5)n3)c2o1 ZINC001211917298 885575394 /nfs/dbraw/zinc/57/53/94/885575394.db2.gz XVQMRWVOSNKZAW-IBGZPJMESA-N 2 1 386.455 3.672 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCc2sccc2C1 ZINC000532471208 885670146 /nfs/dbraw/zinc/67/01/46/885670146.db2.gz UCKPDAZBCUKJSS-WOIUINJBSA-N 2 1 383.605 3.995 20 0 GHADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCc2sccc2C1 ZINC000532471210 885670340 /nfs/dbraw/zinc/67/03/40/885670340.db2.gz UCKPDAZBCUKJSS-XQBPLPMBSA-N 2 1 383.605 3.995 20 0 GHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550640758 885674041 /nfs/dbraw/zinc/67/40/41/885674041.db2.gz CFPCHWWWMMHLBZ-VWNXMTODSA-N 3 1 381.564 3.595 20 0 GHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550640758 885674052 /nfs/dbraw/zinc/67/40/52/885674052.db2.gz CFPCHWWWMMHLBZ-VWNXMTODSA-N 3 1 381.564 3.595 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000532506342 885840513 /nfs/dbraw/zinc/84/05/13/885840513.db2.gz MBOQOMKICUXYNJ-RTBURBONSA-N 2 1 378.520 3.906 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000532500467 885878358 /nfs/dbraw/zinc/87/83/58/885878358.db2.gz AOEXKGSANSNFNA-ALKREAHSSA-N 2 1 385.474 3.545 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000532500467 885878370 /nfs/dbraw/zinc/87/83/70/885878370.db2.gz AOEXKGSANSNFNA-ALKREAHSSA-N 2 1 385.474 3.545 20 0 GHADMP C[C@H]1Cc2ccccc2CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000532587231 886188714 /nfs/dbraw/zinc/18/87/14/886188714.db2.gz XHUOYKVOTOVGLN-SFHVURJKSA-N 2 1 395.572 3.621 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000118970214 886372830 /nfs/dbraw/zinc/37/28/30/886372830.db2.gz PEYIAFSRAXGNST-ILBGXUMGSA-N 2 1 396.575 3.924 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1F ZINC000556871685 886426702 /nfs/dbraw/zinc/42/67/02/886426702.db2.gz LSFZVBTVEQMKKQ-CYBMUJFWSA-N 2 1 380.423 3.502 20 0 GHADMP CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000119539767 886713625 /nfs/dbraw/zinc/71/36/25/886713625.db2.gz OSEVDEQMUSPBRJ-CBQGHPETSA-N 2 1 383.580 3.557 20 0 GHADMP CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000119539767 886713635 /nfs/dbraw/zinc/71/36/35/886713635.db2.gz OSEVDEQMUSPBRJ-CBQGHPETSA-N 2 1 383.580 3.557 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168257774 886867589 /nfs/dbraw/zinc/86/75/89/886867589.db2.gz SKZWYACCBMTUTQ-YPAWHYETSA-N 2 1 380.532 3.943 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000237123183 886913563 /nfs/dbraw/zinc/91/35/63/886913563.db2.gz QJGIBBVYFFNESW-CVEARBPZSA-N 2 1 381.948 3.920 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](C)c3ccc(C)cc3)cc2)CC1 ZINC000915688818 887306685 /nfs/dbraw/zinc/30/66/85/887306685.db2.gz DFMPYOATGSHFLM-HXUWFJFHSA-N 2 1 394.563 3.768 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000131056747 887502022 /nfs/dbraw/zinc/50/20/22/887502022.db2.gz XGXZSYMNHXMVCT-UHFFFAOYSA-N 2 1 398.551 3.537 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000809605252 887575042 /nfs/dbraw/zinc/57/50/42/887575042.db2.gz FWEHCROALROPGZ-MRXNPFEDSA-N 2 1 387.549 3.853 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CC2)[nH+]c1 ZINC000194448789 888347114 /nfs/dbraw/zinc/34/71/14/888347114.db2.gz YCUHUESTSNVNMS-UHFFFAOYSA-N 2 1 392.547 3.883 20 0 GHADMP CCOc1cc(F)cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000865460732 888365511 /nfs/dbraw/zinc/36/55/11/888365511.db2.gz LYCIRBJMDVWWOB-UHFFFAOYSA-N 2 1 375.488 3.831 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000475922920 888458509 /nfs/dbraw/zinc/45/85/09/888458509.db2.gz VOQVSYYMTXUUMJ-KRWDZBQOSA-N 2 1 398.551 3.589 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000459379645 888471789 /nfs/dbraw/zinc/47/17/89/888471789.db2.gz SOEZATNEFQGNNW-UHFFFAOYSA-N 2 1 377.532 3.641 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000397959295 888481932 /nfs/dbraw/zinc/48/19/32/888481932.db2.gz CZMGRMDECCKVPT-SLYNCCJLSA-N 2 1 388.939 3.580 20 0 GHADMP [NH3+]CCCCCCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000237981468 888701923 /nfs/dbraw/zinc/70/19/23/888701923.db2.gz JKAFIJGIQXQFCK-UHFFFAOYSA-N 2 1 385.474 3.695 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866306800 888823093 /nfs/dbraw/zinc/82/30/93/888823093.db2.gz MZKXDQICAWBUPG-RBZQAINGSA-N 2 1 379.548 3.723 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC000123357550 888852076 /nfs/dbraw/zinc/85/20/76/888852076.db2.gz GNRDAPQILNQSJI-KRWDZBQOSA-N 2 1 383.540 3.853 20 0 GHADMP c1c[nH]c([C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)n1 ZINC000866470741 888897807 /nfs/dbraw/zinc/89/78/07/888897807.db2.gz YXIKCSASJHEYNO-QFIPXVFZSA-N 2 1 375.520 3.786 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123508581 889316061 /nfs/dbraw/zinc/31/60/61/889316061.db2.gz GJJIGYOBXLEKRJ-OAHLLOKOSA-N 2 1 381.948 3.729 20 0 GHADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000125124911 889881932 /nfs/dbraw/zinc/88/19/32/889881932.db2.gz PBOOLHFKVQJOFC-HOTGVXAUSA-N 2 1 391.357 3.849 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc2ccccc2c1 ZINC000644635840 913416829 /nfs/dbraw/zinc/41/68/29/913416829.db2.gz DBOFQYFYBWMBJM-QPPBQGQZSA-N 2 1 390.527 3.691 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3N3CCCCC3)cc2)CC1 ZINC000916838536 890276762 /nfs/dbraw/zinc/27/67/62/890276762.db2.gz GVENLUZPWRLVSI-UHFFFAOYSA-N 2 1 392.591 3.714 20 0 GHADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126735497 890670415 /nfs/dbraw/zinc/67/04/15/890670415.db2.gz LJOCZIUIYMKGST-XMMPIXPASA-N 2 1 379.548 3.610 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000533547966 890821335 /nfs/dbraw/zinc/82/13/35/890821335.db2.gz JPOQUTKVPTVHKR-AABGKKOBSA-N 2 1 397.563 3.694 20 0 GHADMP C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000812841543 891028322 /nfs/dbraw/zinc/02/83/22/891028322.db2.gz ALAXXYHRBQWLEX-UXHICEINSA-N 2 1 384.612 3.964 20 0 GHADMP CC1(C)CCc2onc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)[nH]n4)CC3)c2C1 ZINC000872145794 891182633 /nfs/dbraw/zinc/18/26/33/891182633.db2.gz YZNIQUATUDDJFT-UHFFFAOYSA-N 2 1 397.567 3.759 20 0 GHADMP CC1(C)CCc2onc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)n[nH]4)CC3)c2C1 ZINC000872145794 891182644 /nfs/dbraw/zinc/18/26/44/891182644.db2.gz YZNIQUATUDDJFT-UHFFFAOYSA-N 2 1 397.567 3.759 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246485156 891274417 /nfs/dbraw/zinc/27/44/17/891274417.db2.gz DKBZSGJRJHYWME-LWSSLDFYSA-N 2 1 384.564 3.688 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000246863596 891317830 /nfs/dbraw/zinc/31/78/30/891317830.db2.gz DCKAZUIFFYYQOM-HYBUGGRVSA-N 2 1 380.580 3.922 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1F ZINC000246918628 891323391 /nfs/dbraw/zinc/32/33/91/891323391.db2.gz GOGMNJBVXDHCPS-VGOFRKELSA-N 2 1 393.510 3.715 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247291644 891363685 /nfs/dbraw/zinc/36/36/85/891363685.db2.gz FCMQNQIGPIYDIS-XQBPLPMBSA-N 2 1 397.567 3.522 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247291644 891363699 /nfs/dbraw/zinc/36/36/99/891363699.db2.gz FCMQNQIGPIYDIS-XQBPLPMBSA-N 2 1 397.567 3.522 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399003 891495346 /nfs/dbraw/zinc/49/53/46/891495346.db2.gz KZAYHBCXXAMZHA-XZOQPEGZSA-N 2 1 379.548 3.745 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399003 891495354 /nfs/dbraw/zinc/49/53/54/891495354.db2.gz KZAYHBCXXAMZHA-XZOQPEGZSA-N 2 1 379.548 3.745 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1)C(C)C ZINC000497399003 891495360 /nfs/dbraw/zinc/49/53/60/891495360.db2.gz KZAYHBCXXAMZHA-XZOQPEGZSA-N 2 1 379.548 3.745 20 0 GHADMP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc(Cl)n1 ZINC000825702908 891861314 /nfs/dbraw/zinc/86/13/14/891861314.db2.gz VZKBDWLSWACRLV-SJORKVTESA-N 2 1 395.334 3.506 20 0 GHADMP CNC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000813789773 891977139 /nfs/dbraw/zinc/97/71/39/891977139.db2.gz CQBLUROLFHODPW-NOTZXAQLSA-N 2 1 377.532 3.722 20 0 GHADMP FC(F)(F)CN1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000813790580 891978795 /nfs/dbraw/zinc/97/87/95/891978795.db2.gz RNIXEWSSRVVWOK-XUBOLADHSA-N 2 1 381.486 3.798 20 0 GHADMP c1cc(N2CCCCC2)cc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)[nH+]1 ZINC001170718122 892130880 /nfs/dbraw/zinc/13/08/80/892130880.db2.gz JXELYDZLFBDNTM-HZCBDIJESA-N 2 1 397.611 3.823 20 0 GHADMP CC[NH+](CC)Cc1cncc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001170718446 892134081 /nfs/dbraw/zinc/13/40/81/892134081.db2.gz NCQVDMLYTQFVSR-HCGLCNNCSA-N 2 1 399.627 3.674 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)nc(C)[nH+]1 ZINC000162240735 892139186 /nfs/dbraw/zinc/13/91/86/892139186.db2.gz ARWWEHXDXNAGMN-OAHLLOKOSA-N 2 1 393.535 3.643 20 0 GHADMP Clc1ccc(Cl)c(-c2csc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262071939 892211912 /nfs/dbraw/zinc/21/19/12/892211912.db2.gz CMTWLXMUDKBOCF-CQSZACIVSA-N 2 1 397.375 3.596 20 0 GHADMP Clc1ccc(Cl)c(-c2csc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000262071939 892211934 /nfs/dbraw/zinc/21/19/34/892211934.db2.gz CMTWLXMUDKBOCF-CQSZACIVSA-N 2 1 397.375 3.596 20 0 GHADMP CC[C@H](C)Oc1ccccc1/C=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000729824051 892248684 /nfs/dbraw/zinc/24/86/84/892248684.db2.gz DVJZBSXACMSKCI-BBVFFXRHSA-N 2 1 394.519 3.663 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274710 892397637 /nfs/dbraw/zinc/39/76/37/892397637.db2.gz VVHUIWBVCBZBPV-ILJKJKDTSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274710 892397658 /nfs/dbraw/zinc/39/76/58/892397658.db2.gz VVHUIWBVCBZBPV-ILJKJKDTSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274710 892397674 /nfs/dbraw/zinc/39/76/74/892397674.db2.gz VVHUIWBVCBZBPV-ILJKJKDTSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274710 892397694 /nfs/dbraw/zinc/39/76/94/892397694.db2.gz VVHUIWBVCBZBPV-ILJKJKDTSA-N 2 1 391.559 3.790 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C1)C2 ZINC001168274710 892397714 /nfs/dbraw/zinc/39/77/14/892397714.db2.gz VVHUIWBVCBZBPV-ILJKJKDTSA-N 2 1 391.559 3.790 20 0 GHADMP c1cc(-c2cccnc2)n(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000814223240 892415835 /nfs/dbraw/zinc/41/58/35/892415835.db2.gz FDLBFRGNDGZJDP-UHFFFAOYSA-N 2 1 387.531 3.891 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645109481 913681643 /nfs/dbraw/zinc/68/16/43/913681643.db2.gz YXKWHPNOGCGDIC-RZUBCFFCSA-N 2 1 399.579 3.544 20 0 GHADMP C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508695118 892653988 /nfs/dbraw/zinc/65/39/88/892653988.db2.gz HMXLEAKZKBIXGI-FUHWJXTLSA-N 2 1 393.453 3.979 20 0 GHADMP C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700460 892669227 /nfs/dbraw/zinc/66/92/27/892669227.db2.gz UJGQIARTOWWKDN-WWPVKYPJSA-N 2 1 379.548 3.706 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000645154448 913712924 /nfs/dbraw/zinc/71/29/24/913712924.db2.gz VWQKGWLHYJLVGX-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000645154448 913712934 /nfs/dbraw/zinc/71/29/34/913712934.db2.gz VWQKGWLHYJLVGX-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000645154448 913712939 /nfs/dbraw/zinc/71/29/39/913712939.db2.gz VWQKGWLHYJLVGX-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498073136 893114466 /nfs/dbraw/zinc/11/44/66/893114466.db2.gz HETQGFFXZLXEEW-IEZWGBDMSA-N 2 1 385.474 3.722 20 0 GHADMP C[C@H]1CN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC000876562148 893230133 /nfs/dbraw/zinc/23/01/33/893230133.db2.gz TUDPUAMIYCMVRW-IBGZPJMESA-N 2 1 377.532 3.516 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877190574 893527159 /nfs/dbraw/zinc/52/71/59/893527159.db2.gz LCBCFJVVSYDKKI-KRWDZBQOSA-N 2 1 385.895 3.728 20 0 GHADMP CCOP(=O)(CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)OCC ZINC000877489007 893641967 /nfs/dbraw/zinc/64/19/67/893641967.db2.gz KOJUJFQCZVUFGZ-BGYRXZFFSA-N 2 1 380.469 3.706 20 0 GHADMP CCOP(=O)(CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)OCC ZINC000877489007 893641978 /nfs/dbraw/zinc/64/19/78/893641978.db2.gz KOJUJFQCZVUFGZ-BGYRXZFFSA-N 2 1 380.469 3.706 20 0 GHADMP CCOP(=O)(CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)OCC ZINC000877489007 893641987 /nfs/dbraw/zinc/64/19/87/893641987.db2.gz KOJUJFQCZVUFGZ-BGYRXZFFSA-N 2 1 380.469 3.706 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccccc3)CC(C)C)CC2)CC1 ZINC000563373596 893677085 /nfs/dbraw/zinc/67/70/85/893677085.db2.gz JCOUWHNKMMVBDW-UHFFFAOYSA-N 2 1 385.596 3.868 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000563388354 893687384 /nfs/dbraw/zinc/68/73/84/893687384.db2.gz ZCKIXSQVZAYCHD-FQEVSTJZSA-N 2 1 385.596 3.547 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCO1 ZINC000459509366 893701166 /nfs/dbraw/zinc/70/11/66/893701166.db2.gz VIGOOZDBEWKOOO-LJQANCHMSA-N 2 1 394.563 3.824 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000459546665 893775620 /nfs/dbraw/zinc/77/56/20/893775620.db2.gz NPCZMVZQVSWDCR-GVAUOCQISA-N 2 1 375.560 3.682 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221169 893849893 /nfs/dbraw/zinc/84/98/93/893849893.db2.gz KEOQLMFMPZVWHP-LVCYWYKZSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221169 893849910 /nfs/dbraw/zinc/84/99/10/893849910.db2.gz KEOQLMFMPZVWHP-LVCYWYKZSA-N 2 1 387.568 3.742 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000536843219 893919400 /nfs/dbraw/zinc/91/94/00/893919400.db2.gz DNKYMHBSUNLNJG-ZJOUEHCJSA-N 2 1 377.548 3.521 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000563577309 893930864 /nfs/dbraw/zinc/93/08/64/893930864.db2.gz IURSRERBZCHOLB-IBGZPJMESA-N 2 1 384.520 3.801 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000563577309 893930874 /nfs/dbraw/zinc/93/08/74/893930874.db2.gz IURSRERBZCHOLB-IBGZPJMESA-N 2 1 384.520 3.801 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccncc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000536829895 893939783 /nfs/dbraw/zinc/93/97/83/893939783.db2.gz AGUGXDIAGWZASZ-ZJSXRUAMSA-N 2 1 392.591 3.936 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C[C@H]1c1ccccc1 ZINC000645395108 913873218 /nfs/dbraw/zinc/87/32/18/913873218.db2.gz CRHCMKRJEIMBBO-ZEQRLZLVSA-N 2 1 387.527 3.822 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C[C@H]1c1ccccc1 ZINC000645395108 913873240 /nfs/dbraw/zinc/87/32/40/913873240.db2.gz CRHCMKRJEIMBBO-ZEQRLZLVSA-N 2 1 387.527 3.822 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCC[C@@H](c4ccccc4)O3)CC2)CC1 ZINC000878721810 894534607 /nfs/dbraw/zinc/53/46/07/894534607.db2.gz IYWPIJMVSFYNMD-ZEQRLZLVSA-N 2 1 385.596 3.789 20 0 GHADMP CN(C)c1ccc(N2CCC(N[C@@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000127423147 894735524 /nfs/dbraw/zinc/73/55/24/894735524.db2.gz MUZBKOPVXSPQJN-JOCHJYFZSA-N 2 1 375.520 3.824 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000537325753 894777732 /nfs/dbraw/zinc/77/77/32/894777732.db2.gz OMJMMNYEAKEIRA-XXBNENTESA-N 2 1 393.579 3.544 20 0 GHADMP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]nc21 ZINC001137146258 895265299 /nfs/dbraw/zinc/26/52/99/895265299.db2.gz DVTQAJRWEXEHQK-QTGUNEKASA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH]nc21 ZINC001137146258 895265313 /nfs/dbraw/zinc/26/53/13/895265313.db2.gz DVTQAJRWEXEHQK-QTGUNEKASA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)[nH]nc21 ZINC001137146258 895265329 /nfs/dbraw/zinc/26/53/29/895265329.db2.gz DVTQAJRWEXEHQK-QTGUNEKASA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cccc2c(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)[nH]nc21 ZINC001137146258 895265342 /nfs/dbraw/zinc/26/53/42/895265342.db2.gz DVTQAJRWEXEHQK-QTGUNEKASA-N 2 1 389.547 3.999 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)c(C(C)C)cc1Cl ZINC000564871894 895290736 /nfs/dbraw/zinc/29/07/36/895290736.db2.gz GKGUXRSNDVWTTO-FUHWJXTLSA-N 2 1 380.960 3.752 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000564910810 895308009 /nfs/dbraw/zinc/30/80/09/895308009.db2.gz PUTLPEZORRAFNO-DEOSSOPVSA-N 2 1 388.515 3.925 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC001135851498 895412622 /nfs/dbraw/zinc/41/26/22/895412622.db2.gz KGIHBHJDGOZDHC-GOTSBHOMSA-N 2 1 385.596 3.853 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)ccc3OC(C)C)CC2)CC1 ZINC000565178800 895442476 /nfs/dbraw/zinc/44/24/76/895442476.db2.gz CKBBEYIVAAILRY-UHFFFAOYSA-N 2 1 391.531 3.748 20 0 GHADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170864616 895545796 /nfs/dbraw/zinc/54/57/96/895545796.db2.gz UDMDDDJWPADMIJ-LJQANCHMSA-N 2 1 386.337 3.651 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1)C(C)C ZINC000565362662 895565954 /nfs/dbraw/zinc/56/59/54/895565954.db2.gz RVSDFKORYNEMPE-FCHUYYIVSA-N 2 1 383.511 3.623 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000817893268 895951612 /nfs/dbraw/zinc/95/16/12/895951612.db2.gz QVDTZRSSRYGUFM-LMMKCTJWSA-N 2 1 377.548 3.748 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cs2)cc1OC ZINC000566010411 896045415 /nfs/dbraw/zinc/04/54/15/896045415.db2.gz SLUUBRYWUFAXPB-IRXDYDNUSA-N 2 1 387.549 3.649 20 0 GHADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(-c2ccccc2F)s1 ZINC000566103568 896111291 /nfs/dbraw/zinc/11/12/91/896111291.db2.gz AHTQAXUNBPMYJH-ZDUSSCGKSA-N 2 1 385.512 3.990 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818959599 896295663 /nfs/dbraw/zinc/29/56/63/896295663.db2.gz ONBKQYCAIATUGA-KDOFPFPSSA-N 2 1 387.337 3.866 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccc(F)cc3Cl)CC2)oc1C ZINC000819054086 896344312 /nfs/dbraw/zinc/34/43/12/896344312.db2.gz VGEOUMZCGANTCV-IBGZPJMESA-N 2 1 395.906 3.619 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)C(=O)N(C)C3CCCCC3)C2)s1 ZINC000566645822 896449092 /nfs/dbraw/zinc/44/90/92/896449092.db2.gz ATVPCWPKEPMFEY-RTBURBONSA-N 2 1 391.625 3.990 20 0 GHADMP C[C@@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl)C1=CC[N@@H+](C)CC1 ZINC000819220042 896512475 /nfs/dbraw/zinc/51/24/75/896512475.db2.gz JTKKUTWZMDSDFX-PXAZEXFGSA-N 2 1 387.749 3.550 20 0 GHADMP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000567046672 896828547 /nfs/dbraw/zinc/82/85/47/896828547.db2.gz NRFCOGGPAIELEY-FKRHRZSBSA-N 2 1 395.950 3.614 20 0 GHADMP [NH3+]C1(Cc2nc([C@@H]3CCC(F)(F)C3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000686767151 896837925 /nfs/dbraw/zinc/83/79/25/896837925.db2.gz YNBGJEGIKBHNPV-MRXNPFEDSA-N 2 1 376.451 3.508 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c3c(nn2C)CCSC3)cc1 ZINC000882889610 897077005 /nfs/dbraw/zinc/07/70/05/897077005.db2.gz DTFZIYRCWHHQEY-KRWDZBQOSA-N 2 1 384.593 3.874 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1)CC[NH2+]CC2 ZINC000567491542 897199941 /nfs/dbraw/zinc/19/99/41/897199941.db2.gz SWAMRPDTDNIGMW-GOSISDBHSA-N 2 1 379.504 3.881 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)s1 ZINC000568045585 897555138 /nfs/dbraw/zinc/55/51/38/897555138.db2.gz FTJUPTLWQPLVSW-UYAOXDASSA-N 2 1 377.598 3.600 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)s1 ZINC000568045585 897555152 /nfs/dbraw/zinc/55/51/52/897555152.db2.gz FTJUPTLWQPLVSW-UYAOXDASSA-N 2 1 377.598 3.600 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)s1 ZINC000568045585 897555169 /nfs/dbraw/zinc/55/51/69/897555169.db2.gz FTJUPTLWQPLVSW-UYAOXDASSA-N 2 1 377.598 3.600 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000131921132 897609933 /nfs/dbraw/zinc/60/99/33/897609933.db2.gz RBGJONQJWFWQOC-SJORKVTESA-N 2 1 379.570 3.559 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000131921132 897609938 /nfs/dbraw/zinc/60/99/38/897609938.db2.gz RBGJONQJWFWQOC-SJORKVTESA-N 2 1 379.570 3.559 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3c4ccccc4CC[C@H]3C)CC2)CC1 ZINC000568202222 897671236 /nfs/dbraw/zinc/67/12/36/897671236.db2.gz HAWRBOOQTRJBKI-JPYJTQIMSA-N 2 1 383.580 3.623 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cccc(-n3ccnc3)c2)C1 ZINC000568433648 897830453 /nfs/dbraw/zinc/83/04/53/897830453.db2.gz UNPWWVPGEKFZIC-FPOVZHCZSA-N 2 1 395.551 3.668 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778643976 897834719 /nfs/dbraw/zinc/83/47/19/897834719.db2.gz ZESZKOMLOXBVLC-ICSRJNTNSA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643976 897834728 /nfs/dbraw/zinc/83/47/28/897834728.db2.gz ZESZKOMLOXBVLC-ICSRJNTNSA-N 2 1 384.520 3.678 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CC(F)F)c3ccccc3)CC2)CC1 ZINC000568778184 898095415 /nfs/dbraw/zinc/09/54/15/898095415.db2.gz CPXLYWJLQNVDRG-FQEVSTJZSA-N 2 1 393.522 3.695 20 0 GHADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCc1cccnc1 ZINC000289537958 914229981 /nfs/dbraw/zinc/22/99/81/914229981.db2.gz HYBAIRQXMGUXRY-WCRBZPEASA-N 2 1 381.520 3.726 20 0 GHADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCc1cccnc1 ZINC000289537958 914229995 /nfs/dbraw/zinc/22/99/95/914229995.db2.gz HYBAIRQXMGUXRY-WCRBZPEASA-N 2 1 381.520 3.726 20 0 GHADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCc1cccnc1 ZINC000289537958 914230012 /nfs/dbraw/zinc/23/00/12/914230012.db2.gz HYBAIRQXMGUXRY-WCRBZPEASA-N 2 1 381.520 3.726 20 0 GHADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCc1cccnc1 ZINC000289537958 914230024 /nfs/dbraw/zinc/23/00/24/914230024.db2.gz HYBAIRQXMGUXRY-WCRBZPEASA-N 2 1 381.520 3.726 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000282857900 898322776 /nfs/dbraw/zinc/32/27/76/898322776.db2.gz UHIPTDAADYVPFZ-UHFFFAOYSA-N 2 1 390.535 3.797 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000107372409 898329924 /nfs/dbraw/zinc/32/99/24/898329924.db2.gz TWNWBWYSGWEBAS-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(-c2ccc(F)cc2)s1 ZINC000569095473 898338394 /nfs/dbraw/zinc/33/83/94/898338394.db2.gz ZZQFRUXDAIWSJK-ZDUSSCGKSA-N 2 1 385.512 3.990 20 0 GHADMP Cc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000569106308 898345462 /nfs/dbraw/zinc/34/54/62/898345462.db2.gz UIOLYHKQNPOQAF-UGKGYDQZSA-N 2 1 386.561 3.528 20 0 GHADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCc1c(Cl)cccc1Cl ZINC001276331563 914267413 /nfs/dbraw/zinc/26/74/13/914267413.db2.gz LGAXYJSJKPHVRL-FQEVSTJZSA-N 2 1 398.378 3.555 20 0 GHADMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCc1c(Cl)cccc1Cl ZINC001276331563 914267423 /nfs/dbraw/zinc/26/74/23/914267423.db2.gz LGAXYJSJKPHVRL-FQEVSTJZSA-N 2 1 398.378 3.555 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485431 898705302 /nfs/dbraw/zinc/70/53/02/898705302.db2.gz PIAWOYODVHTWPF-PZUNEJSGSA-N 2 1 399.623 3.768 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485431 898705313 /nfs/dbraw/zinc/70/53/13/898705313.db2.gz PIAWOYODVHTWPF-PZUNEJSGSA-N 3 1 399.623 3.768 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485431 898705321 /nfs/dbraw/zinc/70/53/21/898705321.db2.gz PIAWOYODVHTWPF-PZUNEJSGSA-N 3 1 399.623 3.768 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3noc(-c4ccc([C@H](C)[NH3+])cc4)n3)cc2F)CC1 ZINC000822950919 898748807 /nfs/dbraw/zinc/74/88/07/898748807.db2.gz GEDYJUXQSLEHLH-HNNXBMFYSA-N 2 1 395.482 3.704 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1O ZINC000289661357 914284582 /nfs/dbraw/zinc/28/45/82/914284582.db2.gz ITKMOBMCJSQQOK-FGTMMUONSA-N 2 1 384.520 3.861 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000569909175 899019273 /nfs/dbraw/zinc/01/92/73/899019273.db2.gz XFKRAJVIJJRLQH-NFBKMPQASA-N 2 1 393.531 3.912 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(O)c1 ZINC000570219230 899201529 /nfs/dbraw/zinc/20/15/29/899201529.db2.gz JDPCXKPZAGYLFI-KNQAVFIVSA-N 2 1 380.532 3.972 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000570281046 899241369 /nfs/dbraw/zinc/24/13/69/899241369.db2.gz RUTVZJXFAGUFTJ-XTBFLFJDSA-N 2 1 380.414 3.876 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000570281046 899241380 /nfs/dbraw/zinc/24/13/80/899241380.db2.gz RUTVZJXFAGUFTJ-XTBFLFJDSA-N 2 1 380.414 3.876 20 0 GHADMP Cc1ccc(F)c(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000116916316 899329871 /nfs/dbraw/zinc/32/98/71/899329871.db2.gz CIRCNDXQOZSPSY-UHFFFAOYSA-N 2 1 386.511 3.914 20 0 GHADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1CCCCC1 ZINC001136803623 899336966 /nfs/dbraw/zinc/33/69/66/899336966.db2.gz GZGPSPNBTOMEJL-SFHVURJKSA-N 2 1 397.485 3.660 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000824389991 899578576 /nfs/dbraw/zinc/57/85/76/899578576.db2.gz YIGVJRWXFIRLKU-GGPKGHCWSA-N 2 1 379.589 3.686 20 0 GHADMP O=C(Nc1ccccc1)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000282909148 899603992 /nfs/dbraw/zinc/60/39/92/899603992.db2.gz GEZXQSIOHPUDMG-QFIPXVFZSA-N 2 1 378.520 3.547 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cn5ccccc5n4)CC3)C2)cc1 ZINC001136879688 899641767 /nfs/dbraw/zinc/64/17/67/899641767.db2.gz OSRSGNPDYMLQNH-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824585284 899723953 /nfs/dbraw/zinc/72/39/53/899723953.db2.gz PEGRWOFTRREUFZ-HRAATJIYSA-N 2 1 376.508 3.669 20 0 GHADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000571103813 899741633 /nfs/dbraw/zinc/74/16/33/899741633.db2.gz JEMMVKIECZFAPK-RGCNIUKASA-N 2 1 389.971 3.712 20 0 GHADMP C[C@H]1CC[NH+](CC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000571103813 899741637 /nfs/dbraw/zinc/74/16/37/899741637.db2.gz JEMMVKIECZFAPK-RGCNIUKASA-N 2 1 389.971 3.712 20 0 GHADMP C[C@H]1CC[NH+](CC(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000571103813 899741644 /nfs/dbraw/zinc/74/16/44/899741644.db2.gz JEMMVKIECZFAPK-RGCNIUKASA-N 2 1 389.971 3.712 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571303456 899821960 /nfs/dbraw/zinc/82/19/60/899821960.db2.gz BZAQNDSLPAFQRX-YADARESESA-N 2 1 392.547 3.514 20 0 GHADMP C[C@@H](C[C@@H](O)c1cccs1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000121171814 899971241 /nfs/dbraw/zinc/97/12/41/899971241.db2.gz KFAGSDVTAVHILA-OXJNMPFZSA-N 2 1 376.541 3.996 20 0 GHADMP C[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572948612 900322763 /nfs/dbraw/zinc/32/27/63/900322763.db2.gz JRTYEXYULDKHMO-FXAWDEMLSA-N 2 1 384.495 3.735 20 0 GHADMP C[N@@H+](CCCn1ccnc1)Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000844312394 900669974 /nfs/dbraw/zinc/66/99/74/900669974.db2.gz FTXVKEIBQNRGGD-UHFFFAOYSA-N 2 1 384.524 3.698 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328175 900733961 /nfs/dbraw/zinc/73/39/61/900733961.db2.gz VGSAXCGQQSOWHH-WBVHZDCISA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328175 900733966 /nfs/dbraw/zinc/73/39/66/900733966.db2.gz VGSAXCGQQSOWHH-WBVHZDCISA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328175 900733975 /nfs/dbraw/zinc/73/39/75/900733975.db2.gz VGSAXCGQQSOWHH-WBVHZDCISA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328175 900733982 /nfs/dbraw/zinc/73/39/82/900733982.db2.gz VGSAXCGQQSOWHH-WBVHZDCISA-N 2 1 381.586 3.723 20 0 GHADMP O=C1OCCN1c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886588636 901180457 /nfs/dbraw/zinc/18/04/57/901180457.db2.gz WJPMXFMPYZLBQA-XJUOHMSHSA-N 2 1 391.515 3.786 20 0 GHADMP CNC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000886605606 901185530 /nfs/dbraw/zinc/18/55/30/901185530.db2.gz VDCXLOGTYFZZNZ-XXTHSBEZSA-N 2 1 377.532 3.507 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)CO[C@@H](C)c3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886669576 901217125 /nfs/dbraw/zinc/21/71/25/901217125.db2.gz ATOPKNNKWNAFCX-OXJNMPFZSA-N 2 1 391.943 3.998 20 0 GHADMP Cc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn2cc[nH+]c12 ZINC000575630729 901254616 /nfs/dbraw/zinc/25/46/16/901254616.db2.gz MPLPBZFYSVTJEU-VCSGRIEYSA-N 2 1 389.503 3.960 20 0 GHADMP Cc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn2cc[nH+]c12 ZINC000575630729 901254625 /nfs/dbraw/zinc/25/46/25/901254625.db2.gz MPLPBZFYSVTJEU-VCSGRIEYSA-N 2 1 389.503 3.960 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576000504 901569933 /nfs/dbraw/zinc/56/99/33/901569933.db2.gz CIFCERACIBFRFP-NFBKMPQASA-N 2 1 391.559 3.850 20 0 GHADMP C[N@H+](Cc1cc(Br)cc(Br)c1)CC1CC[NH+](C)CC1 ZINC000576073950 901650869 /nfs/dbraw/zinc/65/08/69/901650869.db2.gz UWPXRGKNWCVYEB-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1Br ZINC000646496484 914566732 /nfs/dbraw/zinc/56/67/32/914566732.db2.gz NLKACUOEXZCJHL-KRWDZBQOSA-N 2 1 376.298 3.539 20 0 GHADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646497116 914568134 /nfs/dbraw/zinc/56/81/34/914568134.db2.gz PAAVQSYTRCBKAM-KXBFYZLASA-N 2 1 398.378 3.982 20 0 GHADMP CC[C@H](C)Oc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000576556164 902094784 /nfs/dbraw/zinc/09/47/84/902094784.db2.gz RKKSBCPBLXXDRG-ICSRJNTNSA-N 2 1 390.572 3.744 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577080012 902488727 /nfs/dbraw/zinc/48/87/27/902488727.db2.gz VUTNSERJWPTFJM-SFHVURJKSA-N 2 1 392.547 3.886 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cnnn3-c3ccccc3)cc2)CC1 ZINC000845916608 902499664 /nfs/dbraw/zinc/49/96/64/902499664.db2.gz NZVXXLQLPPLRSD-UHFFFAOYSA-N 2 1 390.535 3.657 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846011091 902590729 /nfs/dbraw/zinc/59/07/29/902590729.db2.gz KJMQAAMVIKIZHV-NRFANRHFSA-N 2 1 382.895 3.713 20 0 GHADMP C[C@@H](CCN1CC[N@@H+](C)C2(CCCCC2)C1)N1CC[NH+](C)C2(CCCCC2)C1 ZINC000577229913 902600664 /nfs/dbraw/zinc/60/06/64/902600664.db2.gz DXRBLDPJRRUYAT-QFIPXVFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[C@@H](CCN1CC[NH+](C)C2(CCCCC2)C1)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000577229913 902600671 /nfs/dbraw/zinc/60/06/71/902600671.db2.gz DXRBLDPJRRUYAT-QFIPXVFZSA-N 2 1 390.660 3.666 20 0 GHADMP C[C@@H](CCN1CC[NH+](C)C2(CCCCC2)C1)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000577229913 902600677 /nfs/dbraw/zinc/60/06/77/902600677.db2.gz DXRBLDPJRRUYAT-QFIPXVFZSA-N 2 1 390.660 3.666 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)C[C@H]3C)CC2)CC1 ZINC000577229980 902602098 /nfs/dbraw/zinc/60/20/98/902602098.db2.gz VADYRZYOFVCVAV-NFBKMPQASA-N 2 1 397.607 3.977 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000846222334 902798222 /nfs/dbraw/zinc/79/82/22/902798222.db2.gz HIABBZSUKDRRDT-XPNTWCBSSA-N 2 1 393.531 3.510 20 0 GHADMP Cc1[nH+]ccn1CCCSc1nnc(SCCCn2cc[nH+]c2C)s1 ZINC000264228710 902941418 /nfs/dbraw/zinc/94/14/18/902941418.db2.gz ZSFURQOLZPVIMR-UHFFFAOYSA-N 2 1 394.595 3.913 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(CS(C)(=O)=O)c2)cc1 ZINC000131643679 903130642 /nfs/dbraw/zinc/13/06/42/903130642.db2.gz LPSJMGISFSFYQG-MRXNPFEDSA-N 2 1 383.517 3.576 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000846834261 903255861 /nfs/dbraw/zinc/25/58/61/903255861.db2.gz NCSQBOAIXBPKHS-XMMPIXPASA-N 2 1 375.516 3.689 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000846834261 903255870 /nfs/dbraw/zinc/25/58/70/903255870.db2.gz NCSQBOAIXBPKHS-XMMPIXPASA-N 2 1 375.516 3.689 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C[C@H](C)O1 ZINC000779033442 903268518 /nfs/dbraw/zinc/26/85/18/903268518.db2.gz MFVZGWATJGFSCD-IYWMVGAKSA-N 2 1 397.604 3.549 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000577849883 903268879 /nfs/dbraw/zinc/26/88/79/903268879.db2.gz LPBYRCJEAWGQID-CVEARBPZSA-N 2 1 389.341 3.661 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cn(C(C)C)nc3C)CC2)c1C ZINC000290563456 914734232 /nfs/dbraw/zinc/73/42/32/914734232.db2.gz SKYNJOGQYKFQAR-UHFFFAOYSA-N 2 1 399.583 3.889 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cn(C(C)C)nc3C)CC2)c1C ZINC000290563456 914734243 /nfs/dbraw/zinc/73/42/43/914734243.db2.gz SKYNJOGQYKFQAR-UHFFFAOYSA-N 2 1 399.583 3.889 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OCc1ccncc1 ZINC000290572702 914738590 /nfs/dbraw/zinc/73/85/90/914738590.db2.gz TYYLYXAFGIIEOR-JOCHJYFZSA-N 2 1 395.547 3.833 20 0 GHADMP COc1cccc2c1C[C@@H](Nc1ccc3c(c1)[nH+]cn3[C@@H]1CCC[NH2+]CC1)CO2 ZINC001171312402 903839117 /nfs/dbraw/zinc/83/91/17/903839117.db2.gz GKUFAHLBKGSUNX-QZTJIDSGSA-N 2 1 392.503 3.775 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC001147667170 903844231 /nfs/dbraw/zinc/84/42/31/903844231.db2.gz JDRQQGOGOBBXDK-TZIWHRDSSA-N 2 1 385.577 3.665 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000646682281 914770880 /nfs/dbraw/zinc/77/08/80/914770880.db2.gz REXRRHPQYRNDRX-FUPPJEDESA-N 2 1 385.596 3.740 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)C2 ZINC000290682627 914785088 /nfs/dbraw/zinc/78/50/88/914785088.db2.gz DVFHTLKADXEMAU-DZFGPLHGSA-N 2 1 382.552 3.636 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000646739570 914814065 /nfs/dbraw/zinc/81/40/65/914814065.db2.gz SJSGTQZXRMFWTF-IAGOWNOFSA-N 2 1 396.579 3.642 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000646739570 914814086 /nfs/dbraw/zinc/81/40/86/914814086.db2.gz SJSGTQZXRMFWTF-IAGOWNOFSA-N 2 1 396.579 3.642 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)C2 ZINC001171616162 904881906 /nfs/dbraw/zinc/88/19/06/904881906.db2.gz ZAQUNXMXCUWEOF-QSNWEANLSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC1(C)C ZINC001171624330 904888838 /nfs/dbraw/zinc/88/88/38/904888838.db2.gz QAGNXLJUVZKUOS-AQYVVDRMSA-N 3 1 390.660 3.566 20 0 GHADMP CN1CC[C@@]2(C[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001171636189 904923917 /nfs/dbraw/zinc/92/39/17/904923917.db2.gz BZRSUJHRGWKRGS-YKSBVNFPSA-N 2 1 383.580 3.586 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC001171719375 904946273 /nfs/dbraw/zinc/94/62/73/904946273.db2.gz RRVLPMNISYGUNI-XMMPIXPASA-N 2 1 378.560 3.750 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC001171719375 904946278 /nfs/dbraw/zinc/94/62/78/904946278.db2.gz RRVLPMNISYGUNI-XMMPIXPASA-N 2 1 378.560 3.750 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN([C@@H]1C[C@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC001171751466 904979207 /nfs/dbraw/zinc/97/92/07/904979207.db2.gz NWJLIYYYXAGCRM-PZJWPPBQSA-N 2 1 395.595 3.547 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN([C@@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC001171751466 904979215 /nfs/dbraw/zinc/97/92/15/904979215.db2.gz NWJLIYYYXAGCRM-PZJWPPBQSA-N 2 1 395.595 3.547 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171762920 904999781 /nfs/dbraw/zinc/99/97/81/904999781.db2.gz NJLHZZDVVMSKHZ-AKAGGGOCSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762920 904999788 /nfs/dbraw/zinc/99/97/88/904999788.db2.gz NJLHZZDVVMSKHZ-AKAGGGOCSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171762920 904999792 /nfs/dbraw/zinc/99/97/92/904999792.db2.gz NJLHZZDVVMSKHZ-AKAGGGOCSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C[N@H+]1Cc1ccccc1 ZINC001171768146 905009210 /nfs/dbraw/zinc/00/92/10/905009210.db2.gz SLORLYSFARHAFM-GATIMQMVSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C[NH+]1Cc1ccccc1 ZINC001171768146 905009227 /nfs/dbraw/zinc/00/92/27/905009227.db2.gz SLORLYSFARHAFM-GATIMQMVSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C[NH+]1Cc1ccccc1 ZINC001171768146 905009244 /nfs/dbraw/zinc/00/92/44/905009244.db2.gz SLORLYSFARHAFM-GATIMQMVSA-N 2 1 375.560 3.856 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H]2Cc3cccc(F)c3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001171788941 905047388 /nfs/dbraw/zinc/04/73/88/905047388.db2.gz ZWIAPXPASXPLDU-NJDAHSKKSA-N 2 1 396.506 3.852 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816330 905076781 /nfs/dbraw/zinc/07/67/81/905076781.db2.gz JBAVONHIYDREFO-ACDBMABISA-N 2 1 397.604 3.644 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001171951933 905158668 /nfs/dbraw/zinc/15/86/68/905158668.db2.gz IZLUWLVHBOOKIJ-FPCVHMJOSA-N 2 1 384.564 3.871 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001171951933 905158674 /nfs/dbraw/zinc/15/86/74/905158674.db2.gz IZLUWLVHBOOKIJ-FPCVHMJOSA-N 2 1 384.564 3.871 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001171951933 905158689 /nfs/dbraw/zinc/15/86/89/905158689.db2.gz IZLUWLVHBOOKIJ-FPCVHMJOSA-N 2 1 384.564 3.871 20 0 GHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948116 905169351 /nfs/dbraw/zinc/16/93/51/905169351.db2.gz BXDKRPMWMBBJMM-IBGZPJMESA-N 2 1 387.568 3.714 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171995637 905207849 /nfs/dbraw/zinc/20/78/49/905207849.db2.gz SUGGVWSXQSJPOJ-UHFFFAOYSA-N 2 1 380.374 3.836 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974780 905220115 /nfs/dbraw/zinc/22/01/15/905220115.db2.gz AHRWBWSGRCMEGK-QFIPXVFZSA-N 2 1 383.580 3.810 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)ncn1 ZINC001171979099 905228010 /nfs/dbraw/zinc/22/80/10/905228010.db2.gz NCABRQLWMYITRD-QFIPXVFZSA-N 2 1 393.579 3.787 20 0 GHADMP CC1(C)C[C@H]([NH+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001171979313 905228433 /nfs/dbraw/zinc/22/84/33/905228433.db2.gz HNRFAGCYKJGAJH-CUDBPUKSSA-N 2 1 395.591 3.666 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979313 905228449 /nfs/dbraw/zinc/22/84/49/905228449.db2.gz HNRFAGCYKJGAJH-CUDBPUKSSA-N 2 1 395.591 3.666 20 0 GHADMP CC1(C)C[C@H]([N@H+]2C[C@@H]3C[C@H](C(=O)NC4CC4)C[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001171979313 905228466 /nfs/dbraw/zinc/22/84/66/905228466.db2.gz HNRFAGCYKJGAJH-CUDBPUKSSA-N 2 1 395.591 3.666 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)cn21 ZINC001171980520 905231046 /nfs/dbraw/zinc/23/10/46/905231046.db2.gz RJTHKQQMENLEPR-HXUWFJFHSA-N 2 1 377.536 3.825 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)cn21 ZINC001171980520 905231060 /nfs/dbraw/zinc/23/10/60/905231060.db2.gz RJTHKQQMENLEPR-HXUWFJFHSA-N 2 1 377.536 3.825 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CCN(Cc3ccncc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171980389 905231175 /nfs/dbraw/zinc/23/11/75/905231175.db2.gz QFZQJHUTHXMFSH-PKTZIBPZSA-N 2 1 378.564 3.689 20 0 GHADMP CC1(C)C[C@@H]([NH+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001171984357 905240896 /nfs/dbraw/zinc/24/08/96/905240896.db2.gz KNDRYEYGWFYRGP-MYDTUXCISA-N 2 1 384.564 3.555 20 0 GHADMP CC1(C)C[C@@H]([NH+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001171984357 905240907 /nfs/dbraw/zinc/24/09/07/905240907.db2.gz KNDRYEYGWFYRGP-MYDTUXCISA-N 2 1 384.564 3.555 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001171984357 905240923 /nfs/dbraw/zinc/24/09/23/905240923.db2.gz KNDRYEYGWFYRGP-MYDTUXCISA-N 2 1 384.564 3.555 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001171984357 905240940 /nfs/dbraw/zinc/24/09/40/905240940.db2.gz KNDRYEYGWFYRGP-MYDTUXCISA-N 2 1 384.564 3.555 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987401 905246435 /nfs/dbraw/zinc/24/64/35/905246435.db2.gz UWVRNLRTFGHJCL-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987401 905246448 /nfs/dbraw/zinc/24/64/48/905246448.db2.gz UWVRNLRTFGHJCL-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987401 905246460 /nfs/dbraw/zinc/24/64/60/905246460.db2.gz UWVRNLRTFGHJCL-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987401 905246475 /nfs/dbraw/zinc/24/64/75/905246475.db2.gz UWVRNLRTFGHJCL-NHCUHLMSSA-N 2 1 380.536 3.681 20 0 GHADMP O=C1OCCCN1C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172089040 905308045 /nfs/dbraw/zinc/30/80/45/905308045.db2.gz PJFYENYWPCZFOV-NUNAXRQHSA-N 2 1 397.563 3.879 20 0 GHADMP CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172061368 905322678 /nfs/dbraw/zinc/32/26/78/905322678.db2.gz GQZLMRVRPKIVIB-ZKTXZKFHSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172061368 905322698 /nfs/dbraw/zinc/32/26/98/905322698.db2.gz GQZLMRVRPKIVIB-ZKTXZKFHSA-N 2 1 385.552 3.781 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(c1ncccc1C(F)(F)F)C1CC[NH2+]CC1)C2 ZINC001172133721 905345879 /nfs/dbraw/zinc/34/58/79/905345879.db2.gz URWOPEFSRXKSGJ-BJWYYQGGSA-N 2 1 382.474 3.674 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC001172111835 905359139 /nfs/dbraw/zinc/35/91/39/905359139.db2.gz WTYPGBUEOCFZCV-FJIDUMEYSA-N 2 1 395.341 3.658 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001172111824 905360365 /nfs/dbraw/zinc/36/03/65/905360365.db2.gz WNQAUFFCFXDVTA-XQUALCHDSA-N 2 1 394.559 3.774 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H](CO)Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001172111824 905360388 /nfs/dbraw/zinc/36/03/88/905360388.db2.gz WNQAUFFCFXDVTA-XQUALCHDSA-N 2 1 394.559 3.774 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)[N@H+]4C)CCO3)c1 ZINC001172116432 905368439 /nfs/dbraw/zinc/36/84/39/905368439.db2.gz FEPIWIYCHUTSSA-CBJLPSGESA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CCO3)c1 ZINC001172116432 905368454 /nfs/dbraw/zinc/36/84/54/905368454.db2.gz FEPIWIYCHUTSSA-CBJLPSGESA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001172116432 905368468 /nfs/dbraw/zinc/36/84/68/905368468.db2.gz FEPIWIYCHUTSSA-CBJLPSGESA-N 2 1 383.580 3.682 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+]([C@@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CCO3)c1 ZINC001172116432 905368485 /nfs/dbraw/zinc/36/84/85/905368485.db2.gz FEPIWIYCHUTSSA-CBJLPSGESA-N 2 1 383.580 3.682 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCC(=O)N3Cc3cccc(F)c3)CC1)C2 ZINC001172117063 905371326 /nfs/dbraw/zinc/37/13/26/905371326.db2.gz NZECCYBHXSDFJZ-KOUNCHBCSA-N 2 1 399.554 3.798 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C2 ZINC001172121836 905379708 /nfs/dbraw/zinc/37/97/08/905379708.db2.gz UAZSNULCOZQOEC-TZDBLYRBSA-N 2 1 395.563 3.673 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C2 ZINC001172121836 905379721 /nfs/dbraw/zinc/37/97/21/905379721.db2.gz UAZSNULCOZQOEC-TZDBLYRBSA-N 2 1 395.563 3.673 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)C2 ZINC001172121836 905379732 /nfs/dbraw/zinc/37/97/32/905379732.db2.gz UAZSNULCOZQOEC-TZDBLYRBSA-N 2 1 395.563 3.673 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172529084 905590149 /nfs/dbraw/zinc/59/01/49/905590149.db2.gz VFOHBVRYMFAXNC-VABKMULXSA-N 2 1 383.580 3.735 20 0 GHADMP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)CCc2c(F)cc(Cl)cc2F)CC1 ZINC001172570036 905630875 /nfs/dbraw/zinc/63/08/75/905630875.db2.gz GVPKVAIFMNFLPC-ZDUSSCGKSA-N 2 1 388.886 3.686 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172605953 905665241 /nfs/dbraw/zinc/66/52/41/905665241.db2.gz RPRXTBBCGSARBL-PBHICJAKSA-N 2 1 384.442 3.687 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172638467 905700552 /nfs/dbraw/zinc/70/05/52/905700552.db2.gz XKGRWMUWVPAMGU-VQIMIIECSA-N 2 1 398.469 3.991 20 0 GHADMP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729574 905777621 /nfs/dbraw/zinc/77/76/21/905777621.db2.gz XEHFXDBKSINXPR-UHFFFAOYSA-N 2 1 384.568 3.548 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCc4ccc(C)cc4C3)CC2)c1 ZINC001172838478 905888067 /nfs/dbraw/zinc/88/80/67/905888067.db2.gz LKLXXLYIXTZZGP-DEOSSOPVSA-N 2 1 392.543 3.893 20 0 GHADMP Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001212689326 905973784 /nfs/dbraw/zinc/97/37/84/905973784.db2.gz YTHVTAUTFKJSQM-IAGOWNOFSA-N 2 1 395.551 3.951 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001172945586 906014663 /nfs/dbraw/zinc/01/46/63/906014663.db2.gz FSNJUQVJAYNBEP-GOSISDBHSA-N 2 1 375.557 3.886 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000177041495 906027579 /nfs/dbraw/zinc/02/75/79/906027579.db2.gz KUJZAVUTZPYEBJ-UHFFFAOYSA-N 2 1 398.526 3.581 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001172972711 906037687 /nfs/dbraw/zinc/03/76/87/906037687.db2.gz YLKBVQMKYZHDKL-SESVDKBCSA-N 2 1 387.568 3.696 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172972711 906037700 /nfs/dbraw/zinc/03/77/00/906037700.db2.gz YLKBVQMKYZHDKL-SESVDKBCSA-N 2 1 387.568 3.696 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172972711 906037712 /nfs/dbraw/zinc/03/77/12/906037712.db2.gz YLKBVQMKYZHDKL-SESVDKBCSA-N 2 1 387.568 3.696 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177121807 906041401 /nfs/dbraw/zinc/04/14/01/906041401.db2.gz MUSOBMGAZWKBJU-FXAWDEMLSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000177121807 906041416 /nfs/dbraw/zinc/04/14/16/906041416.db2.gz MUSOBMGAZWKBJU-FXAWDEMLSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000177121807 906041430 /nfs/dbraw/zinc/04/14/30/906041430.db2.gz MUSOBMGAZWKBJU-FXAWDEMLSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000177121807 906041437 /nfs/dbraw/zinc/04/14/37/906041437.db2.gz MUSOBMGAZWKBJU-FXAWDEMLSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172959826 906068336 /nfs/dbraw/zinc/06/83/36/906068336.db2.gz SYLMTBPDHFYLQR-GOSISDBHSA-N 2 1 379.589 3.972 20 0 GHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(C[NH+](C)C)ccc3C)CC2)cs1 ZINC000177302245 906095272 /nfs/dbraw/zinc/09/52/72/906095272.db2.gz ULGJWKKXESSKLX-UHFFFAOYSA-N 2 1 386.565 3.672 20 0 GHADMP C(C1CCCC1)[N@H+]1CCO[C@@H]2C[NH+](C3CCC4(CCOCC4)CC3)C[C@@H]2C1 ZINC001173047716 906117828 /nfs/dbraw/zinc/11/78/28/906117828.db2.gz IJYBUDQGTRGVAO-RBBKRZOGSA-N 2 1 376.585 3.549 20 0 GHADMP C(C1CCCC1)[NH+]1CCO[C@@H]2C[N@@H+](C3CCC4(CCOCC4)CC3)C[C@@H]2C1 ZINC001173047716 906117833 /nfs/dbraw/zinc/11/78/33/906117833.db2.gz IJYBUDQGTRGVAO-RBBKRZOGSA-N 2 1 376.585 3.549 20 0 GHADMP C(C1CCCC1)[NH+]1CCO[C@@H]2C[N@H+](C3CCC4(CCOCC4)CC3)C[C@@H]2C1 ZINC001173047716 906117839 /nfs/dbraw/zinc/11/78/39/906117839.db2.gz IJYBUDQGTRGVAO-RBBKRZOGSA-N 2 1 376.585 3.549 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001173075105 906171353 /nfs/dbraw/zinc/17/13/53/906171353.db2.gz KKEZRMOHKAHXDY-CRAIPNDOSA-N 2 1 386.458 3.607 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001173075105 906171362 /nfs/dbraw/zinc/17/13/62/906171362.db2.gz KKEZRMOHKAHXDY-CRAIPNDOSA-N 2 1 386.458 3.607 20 0 GHADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2cnn(CC3CC3)c21 ZINC001173109893 906197098 /nfs/dbraw/zinc/19/70/98/906197098.db2.gz FAWOYGVRIMLPJY-ITAUSPCMSA-N 2 1 388.600 3.882 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001173114310 906202773 /nfs/dbraw/zinc/20/27/73/906202773.db2.gz GDBNQBCVUSBZFR-ZMTPEHOPSA-N 2 1 379.589 3.828 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000177826569 906223808 /nfs/dbraw/zinc/22/38/08/906223808.db2.gz YFLQXYGYZCWFQO-HZPDHXFCSA-N 2 1 383.517 3.996 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000177826547 906224195 /nfs/dbraw/zinc/22/41/95/906224195.db2.gz YFLQXYGYZCWFQO-CVEARBPZSA-N 2 1 383.517 3.996 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC001173166159 906224235 /nfs/dbraw/zinc/22/42/35/906224235.db2.gz RGZDQYQJJSSQQP-NRFANRHFSA-N 2 1 380.532 3.843 20 0 GHADMP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000365856844 921216992 /nfs/dbraw/zinc/21/69/92/921216992.db2.gz QBBKMFGHFFAYTE-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC[N@H+]1C ZINC000177913521 906241912 /nfs/dbraw/zinc/24/19/12/906241912.db2.gz GOOGQWKXABLLPF-MAUKXSAKSA-N 2 1 381.358 3.570 20 0 GHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CC[NH2+]CC1 ZINC000629601090 906892387 /nfs/dbraw/zinc/89/23/87/906892387.db2.gz FRBWDEUDAKXCOF-SFHVURJKSA-N 2 1 383.536 3.554 20 0 GHADMP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC[NH2+]CC1 ZINC000629601090 906892397 /nfs/dbraw/zinc/89/23/97/906892397.db2.gz FRBWDEUDAKXCOF-SFHVURJKSA-N 2 1 383.536 3.554 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Nc3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC001174446665 907040824 /nfs/dbraw/zinc/04/08/24/907040824.db2.gz KSXDVGJQLINNKH-UHFFFAOYSA-N 2 1 381.520 3.735 20 0 GHADMP CCCc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000631658692 907794417 /nfs/dbraw/zinc/79/44/17/907794417.db2.gz MIHIXJNYUIGQOE-UHFFFAOYSA-N 2 1 391.625 3.969 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000186355935 907913931 /nfs/dbraw/zinc/91/39/31/907913931.db2.gz YBIAFERZGAYLSX-UHFFFAOYSA-N 2 1 379.548 3.509 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ncc(Br)cc1F ZINC000187021590 908020257 /nfs/dbraw/zinc/02/02/57/908020257.db2.gz MKFLJEKUWGCPAI-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP C[NH+](C)CCn1cc(Nc2cc(-c3ccc(F)cc3)[nH+]c3ccc(N)cc23)cn1 ZINC001176454396 908117920 /nfs/dbraw/zinc/11/79/20/908117920.db2.gz MWTSCNBFPSUQDZ-UHFFFAOYSA-N 2 1 390.466 3.547 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)cc1 ZINC000188360332 908205833 /nfs/dbraw/zinc/20/58/33/908205833.db2.gz TVAOIHAPTDSTMJ-QHCPKHFHSA-N 2 1 395.547 3.665 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000190759709 908524071 /nfs/dbraw/zinc/52/40/71/908524071.db2.gz NMRKXIDEJWCDFT-UHFFFAOYSA-N 2 1 394.810 3.671 20 0 GHADMP C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccco2)CC1 ZINC001177617914 908672892 /nfs/dbraw/zinc/67/28/92/908672892.db2.gz GUDGBBVTQGWQNS-JOCHJYFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccco2)CC1 ZINC001177617914 908672897 /nfs/dbraw/zinc/67/28/97/908672897.db2.gz GUDGBBVTQGWQNS-JOCHJYFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)CC1 ZINC001177617914 908672906 /nfs/dbraw/zinc/67/29/06/908672906.db2.gz GUDGBBVTQGWQNS-JOCHJYFZSA-N 2 1 399.510 3.506 20 0 GHADMP C[NH+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccco2)CC1 ZINC001177617914 908672913 /nfs/dbraw/zinc/67/29/13/908672913.db2.gz GUDGBBVTQGWQNS-JOCHJYFZSA-N 2 1 399.510 3.506 20 0 GHADMP [NH3+]C1(Cc2nc(-c3nccc4ccccc43)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634553621 908762863 /nfs/dbraw/zinc/76/28/63/908762863.db2.gz BVYZLAQENJJELQ-UHFFFAOYSA-N 2 1 399.498 3.821 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000635006422 909098088 /nfs/dbraw/zinc/09/80/88/909098088.db2.gz YIVRDFKRSWWNAD-IFXJQAMLSA-N 2 1 380.458 3.821 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268118566 909773632 /nfs/dbraw/zinc/77/36/32/909773632.db2.gz NJKDOTRBFDHNMJ-FXAWDEMLSA-N 2 1 385.577 3.935 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001179924063 909809297 /nfs/dbraw/zinc/80/92/97/909809297.db2.gz BPRCHFMBEZHLSZ-GREBRCKQSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001179924063 909809304 /nfs/dbraw/zinc/80/93/04/909809304.db2.gz BPRCHFMBEZHLSZ-GREBRCKQSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001179924063 909809320 /nfs/dbraw/zinc/80/93/20/909809320.db2.gz BPRCHFMBEZHLSZ-GREBRCKQSA-N 2 1 391.600 3.972 20 0 GHADMP Cc1cc2cc(NC(=O)CC3([NH3+])CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000637904189 909999673 /nfs/dbraw/zinc/99/96/73/909999673.db2.gz BYVDDDNBNLMGJA-UHFFFAOYSA-N 2 1 376.504 3.798 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000268770484 910006782 /nfs/dbraw/zinc/00/67/82/910006782.db2.gz PSKYIKSDEYJSTH-YKSBVNFPSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC000268770484 910006799 /nfs/dbraw/zinc/00/67/99/910006799.db2.gz PSKYIKSDEYJSTH-YKSBVNFPSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000268793190 910019053 /nfs/dbraw/zinc/01/90/53/910019053.db2.gz DWUSIJGTCIFRPN-GOSISDBHSA-N 2 1 377.532 3.563 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268821141 910032894 /nfs/dbraw/zinc/03/28/94/910032894.db2.gz LSPZSHSNDRVQPR-RDPSFJRHSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268821141 910032907 /nfs/dbraw/zinc/03/29/07/910032907.db2.gz LSPZSHSNDRVQPR-RDPSFJRHSA-N 2 1 391.559 3.934 20 0 GHADMP COCCc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000638155271 910071270 /nfs/dbraw/zinc/07/12/70/910071270.db2.gz UFMFBOQTRUSQKN-UHFFFAOYSA-N 2 1 385.577 3.820 20 0 GHADMP O=c1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178204 910075863 /nfs/dbraw/zinc/07/58/63/910075863.db2.gz NSXKDCHLGNSYPY-QUCCMNQESA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178204 910075879 /nfs/dbraw/zinc/07/58/79/910075879.db2.gz NSXKDCHLGNSYPY-QUCCMNQESA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178204 910075893 /nfs/dbraw/zinc/07/58/93/910075893.db2.gz NSXKDCHLGNSYPY-QUCCMNQESA-N 2 1 387.474 3.730 20 0 GHADMP O=c1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cccn1C(F)F ZINC000638178204 910075901 /nfs/dbraw/zinc/07/59/01/910075901.db2.gz NSXKDCHLGNSYPY-QUCCMNQESA-N 2 1 387.474 3.730 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)nc(C)n1 ZINC000269053136 910119789 /nfs/dbraw/zinc/11/97/89/910119789.db2.gz IOZGHYVHKUZKQD-FDDCHVKYSA-N 2 1 393.579 3.562 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)nc(C)n1 ZINC000269053136 910119800 /nfs/dbraw/zinc/11/98/00/910119800.db2.gz IOZGHYVHKUZKQD-FDDCHVKYSA-N 2 1 393.579 3.562 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638347340 910128017 /nfs/dbraw/zinc/12/80/17/910128017.db2.gz PDTPYOVYWUYPEX-IRLDBZIGSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638347340 910128023 /nfs/dbraw/zinc/12/80/23/910128023.db2.gz PDTPYOVYWUYPEX-IRLDBZIGSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638352485 910129475 /nfs/dbraw/zinc/12/94/75/910129475.db2.gz NRMBUNUTXSEKOP-GGAORHGYSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638352485 910129483 /nfs/dbraw/zinc/12/94/83/910129483.db2.gz NRMBUNUTXSEKOP-GGAORHGYSA-N 2 1 393.531 3.842 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638368897 910133570 /nfs/dbraw/zinc/13/35/70/910133570.db2.gz ZNVZOBZWDDWJHD-MRXNPFEDSA-N 2 1 375.463 3.908 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382637 910139326 /nfs/dbraw/zinc/13/93/26/910139326.db2.gz XWUVHQYARXJERU-KPFFTGBYSA-N 2 1 381.486 3.828 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382637 910139333 /nfs/dbraw/zinc/13/93/33/910139333.db2.gz XWUVHQYARXJERU-KPFFTGBYSA-N 2 1 381.486 3.828 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638427641 910152432 /nfs/dbraw/zinc/15/24/32/910152432.db2.gz WMGWYWCDBRDEPX-JTHBVZDNSA-N 2 1 383.580 3.981 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638427641 910152442 /nfs/dbraw/zinc/15/24/42/910152442.db2.gz WMGWYWCDBRDEPX-JTHBVZDNSA-N 2 1 383.580 3.981 20 0 GHADMP C[C@@H](C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001180580901 910226180 /nfs/dbraw/zinc/22/61/80/910226180.db2.gz ZYAQASPHQVLWRS-URXFXBBRSA-N 2 1 391.559 3.774 20 0 GHADMP [NH3+][C@@H](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000638881084 910263008 /nfs/dbraw/zinc/26/30/08/910263008.db2.gz NISMSVHYHKMBEF-RTWAWAEBSA-N 2 1 394.563 3.570 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639079725 910308335 /nfs/dbraw/zinc/30/83/35/910308335.db2.gz MIBPKJPUJYWARZ-UVUJQTEASA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639079725 910308352 /nfs/dbraw/zinc/30/83/52/910308352.db2.gz MIBPKJPUJYWARZ-UVUJQTEASA-N 2 1 380.536 3.598 20 0 GHADMP OCCCCOc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639114905 910320979 /nfs/dbraw/zinc/32/09/79/910320979.db2.gz PPMCPSVCLHAOOC-UHFFFAOYSA-N 2 1 383.536 3.750 20 0 GHADMP COC(=O)c1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1Br ZINC001180811570 910379533 /nfs/dbraw/zinc/37/95/33/910379533.db2.gz SPFHVKULXJPLMB-AWEZNQCLSA-N 2 1 383.330 3.590 20 0 GHADMP C[N@@H+]1CCC[C@H]1CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180816862 910385777 /nfs/dbraw/zinc/38/57/77/910385777.db2.gz BLMGQISQXXGZTI-KRWDZBQOSA-N 2 1 398.378 3.806 20 0 GHADMP C[N@H+]1CCC[C@H]1CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180816862 910385796 /nfs/dbraw/zinc/38/57/96/910385796.db2.gz BLMGQISQXXGZTI-KRWDZBQOSA-N 2 1 398.378 3.806 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c[nH]1 ZINC000639351582 910397367 /nfs/dbraw/zinc/39/73/67/910397367.db2.gz HVTSGQWIKOGBBM-SQMWVJLWSA-N 2 1 379.504 3.575 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c[nH]1 ZINC000639351582 910397381 /nfs/dbraw/zinc/39/73/81/910397381.db2.gz HVTSGQWIKOGBBM-SQMWVJLWSA-N 2 1 379.504 3.575 20 0 GHADMP c1ccc(C(C[NH+]2CC[C@]3(C2)CCCOC3)C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000639633398 910576457 /nfs/dbraw/zinc/57/64/57/910576457.db2.gz YRSGVVOWGJAAOC-DQEYMECFSA-N 2 1 398.591 3.775 20 0 GHADMP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F ZINC001181344476 910739428 /nfs/dbraw/zinc/73/94/28/910739428.db2.gz GABSEIOPVLSFAI-ZWKOTPCHSA-N 2 1 395.538 3.625 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(Br)ncc1F ZINC000273850608 911056961 /nfs/dbraw/zinc/05/69/61/911056961.db2.gz JUHWIYTTYKVJAW-HZSPNIEDSA-N 2 1 388.325 3.523 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000801934496 921646115 /nfs/dbraw/zinc/64/61/15/921646115.db2.gz NQDVFTGGCINEQG-SVFBPWRDSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000801934496 921646125 /nfs/dbraw/zinc/64/61/25/921646125.db2.gz NQDVFTGGCINEQG-SVFBPWRDSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000801934496 921646135 /nfs/dbraw/zinc/64/61/35/921646135.db2.gz NQDVFTGGCINEQG-SVFBPWRDSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000801934496 921646147 /nfs/dbraw/zinc/64/61/47/921646147.db2.gz NQDVFTGGCINEQG-SVFBPWRDSA-N 2 1 391.600 3.972 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)N(C)Cc3ccccc3)C[C@H]2C1 ZINC001182239574 911360788 /nfs/dbraw/zinc/36/07/88/911360788.db2.gz GNRDDMGZYUMJPW-TZRRMPRUSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239574 911360802 /nfs/dbraw/zinc/36/08/02/911360802.db2.gz GNRDDMGZYUMJPW-TZRRMPRUSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239574 911360818 /nfs/dbraw/zinc/36/08/18/911360818.db2.gz GNRDDMGZYUMJPW-TZRRMPRUSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239574 911360833 /nfs/dbraw/zinc/36/08/33/911360833.db2.gz GNRDDMGZYUMJPW-TZRRMPRUSA-N 2 1 391.559 3.660 20 0 GHADMP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[N@@H+](C)Cc3ccccc3)C[C@H]2C1 ZINC001182239574 911360849 /nfs/dbraw/zinc/36/08/49/911360849.db2.gz GNRDDMGZYUMJPW-TZRRMPRUSA-N 2 1 391.559 3.660 20 0 GHADMP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774362315 911670345 /nfs/dbraw/zinc/67/03/45/911670345.db2.gz JXQFMDNJDZKXMA-BLCKVISQSA-N 2 1 385.552 3.639 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C(C)C ZINC001182886758 912114432 /nfs/dbraw/zinc/11/44/32/912114432.db2.gz JAJONRCZZJHSJB-FQEVSTJZSA-N 2 1 379.976 3.930 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C(C)C ZINC001182886758 912114441 /nfs/dbraw/zinc/11/44/41/912114441.db2.gz JAJONRCZZJHSJB-FQEVSTJZSA-N 2 1 379.976 3.930 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C[NH+]1C(c1ccccc1)c1ccccc1 ZINC001186949389 914913299 /nfs/dbraw/zinc/91/32/99/914913299.db2.gz SSLHJWYRFZVDDT-OIBXWCBGSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949389 914913305 /nfs/dbraw/zinc/91/33/05/914913305.db2.gz SSLHJWYRFZVDDT-OIBXWCBGSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949389 914913314 /nfs/dbraw/zinc/91/33/14/914913314.db2.gz SSLHJWYRFZVDDT-OIBXWCBGSA-N 2 1 391.559 3.697 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000646950167 914946878 /nfs/dbraw/zinc/94/68/78/914946878.db2.gz HDKKXCJJZAQFOL-HSZRJFAPSA-N 2 1 385.596 3.522 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000647343733 915164321 /nfs/dbraw/zinc/16/43/21/915164321.db2.gz AYBUEZAUDVEHIM-AHRSYUTCSA-N 2 1 377.532 3.912 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000647344668 915164803 /nfs/dbraw/zinc/16/48/03/915164803.db2.gz WONJPHRZNSCYRS-DQLDELGASA-N 2 1 381.520 3.650 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+](C)C)cc1 ZINC000647578138 915330796 /nfs/dbraw/zinc/33/07/96/915330796.db2.gz XVUKDKMBWSGMIT-HXUWFJFHSA-N 2 1 377.598 3.782 20 0 GHADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976324 915459715 /nfs/dbraw/zinc/45/97/15/915459715.db2.gz NBKQEWIYVTWUOQ-YDZRNGNQSA-N 2 1 375.582 3.512 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977807 915460047 /nfs/dbraw/zinc/46/00/47/915460047.db2.gz HWJOXEKZFQDJKL-MISYRCLQSA-N 2 1 383.536 3.664 20 0 GHADMP CCc1nccn1[C@@H](C)CC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648804247 915887271 /nfs/dbraw/zinc/88/72/71/915887271.db2.gz AFQBXALIOZKCEI-PZJWPPBQSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648804247 915887284 /nfs/dbraw/zinc/88/72/84/915887284.db2.gz AFQBXALIOZKCEI-PZJWPPBQSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648804247 915887302 /nfs/dbraw/zinc/88/73/02/915887302.db2.gz AFQBXALIOZKCEI-PZJWPPBQSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000648839318 915903377 /nfs/dbraw/zinc/90/33/77/915903377.db2.gz WDSXNPLGTFLUTI-ZVDOUQERSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000648839318 915903388 /nfs/dbraw/zinc/90/33/88/915903388.db2.gz WDSXNPLGTFLUTI-ZVDOUQERSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000648901788 915930403 /nfs/dbraw/zinc/93/04/03/915930403.db2.gz ZMMHVJAACUHMGO-WMZHIEFXSA-N 2 1 380.536 3.521 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000648901788 915930411 /nfs/dbraw/zinc/93/04/11/915930411.db2.gz ZMMHVJAACUHMGO-WMZHIEFXSA-N 2 1 380.536 3.521 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000648904832 915932360 /nfs/dbraw/zinc/93/23/60/915932360.db2.gz VRSDMRHKACUEFF-XLIONFOSSA-N 2 1 386.540 3.603 20 0 GHADMP Cn1cc(-c2cc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)on2)cn1 ZINC000293220315 916066456 /nfs/dbraw/zinc/06/64/56/916066456.db2.gz GSRNWTRJANHHMF-UHFFFAOYSA-N 2 1 391.519 3.563 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650414572 916963893 /nfs/dbraw/zinc/96/38/93/916963893.db2.gz OLBXHLZBVQJYPR-GOSISDBHSA-N 2 1 390.597 3.728 20 0 GHADMP CCOC[C@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@H](COCC)C3)ccc2F)C1 ZINC000294865693 917020391 /nfs/dbraw/zinc/02/03/91/917020391.db2.gz DIUIIJRXKMRQIH-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP CCOC[C@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000294865693 917020404 /nfs/dbraw/zinc/02/04/04/917020404.db2.gz DIUIIJRXKMRQIH-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP CCOC[C@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000294865693 917020414 /nfs/dbraw/zinc/02/04/14/917020414.db2.gz DIUIIJRXKMRQIH-PMACEKPBSA-N 2 1 378.532 3.543 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000295260302 917233972 /nfs/dbraw/zinc/23/39/72/917233972.db2.gz GWTMSQXBTNINTN-PZBISTMVSA-N 2 1 378.532 3.824 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000295260302 917233981 /nfs/dbraw/zinc/23/39/81/917233981.db2.gz GWTMSQXBTNINTN-PZBISTMVSA-N 2 1 378.532 3.824 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000295260302 917233985 /nfs/dbraw/zinc/23/39/85/917233985.db2.gz GWTMSQXBTNINTN-PZBISTMVSA-N 2 1 378.532 3.824 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000650722548 917248357 /nfs/dbraw/zinc/24/83/57/917248357.db2.gz WGMTWVUBWWJLDJ-NZSAHSFTSA-N 2 1 375.513 3.810 20 0 GHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000651350711 917593075 /nfs/dbraw/zinc/59/30/75/917593075.db2.gz PNTZHXAWEKBPSS-UHZRXMQZSA-N 2 1 382.470 3.865 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc4cnccc4o3)CC2)c1C ZINC000651810633 917713362 /nfs/dbraw/zinc/71/33/62/917713362.db2.gz ZIJPEPAEHXAUSZ-UHFFFAOYSA-N 2 1 394.519 3.945 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc4cnccc4o3)CC2)c1C ZINC000651810633 917713374 /nfs/dbraw/zinc/71/33/74/917713374.db2.gz ZIJPEPAEHXAUSZ-UHFFFAOYSA-N 2 1 394.519 3.945 20 0 GHADMP C[N@@H+](Cc1ccc(I)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC001191174213 917808800 /nfs/dbraw/zinc/80/88/00/917808800.db2.gz MZEJASSSSAJLMC-ZDUSSCGKSA-N 2 1 392.712 3.718 20 0 GHADMP C[N@H+](Cc1ccc(I)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC001191174213 917808808 /nfs/dbraw/zinc/80/88/08/917808808.db2.gz MZEJASSSSAJLMC-ZDUSSCGKSA-N 2 1 392.712 3.718 20 0 GHADMP C[NH+](Cc1ccc(I)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001191174213 917808827 /nfs/dbraw/zinc/80/88/27/917808827.db2.gz MZEJASSSSAJLMC-ZDUSSCGKSA-N 2 1 392.712 3.718 20 0 GHADMP C[NH+](Cc1ccc(I)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001191174213 917808832 /nfs/dbraw/zinc/80/88/32/917808832.db2.gz MZEJASSSSAJLMC-ZDUSSCGKSA-N 2 1 392.712 3.718 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)C1 ZINC000652349189 917877460 /nfs/dbraw/zinc/87/74/60/917877460.db2.gz FHWWZKNBKIOFOV-QKNQBKEWSA-N 2 1 385.577 3.647 20 0 GHADMP CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001191298256 917903263 /nfs/dbraw/zinc/90/32/63/917903263.db2.gz XBSZSGGGKAFRIF-QFIPXVFZSA-N 2 1 386.580 3.995 20 0 GHADMP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001191298256 917903270 /nfs/dbraw/zinc/90/32/70/917903270.db2.gz XBSZSGGGKAFRIF-QFIPXVFZSA-N 2 1 386.580 3.995 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001191417098 917992569 /nfs/dbraw/zinc/99/25/69/917992569.db2.gz MRNABDGGRWOJDQ-XOKHGSTOSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001191417098 917992581 /nfs/dbraw/zinc/99/25/81/917992581.db2.gz MRNABDGGRWOJDQ-XOKHGSTOSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC001191417098 917992593 /nfs/dbraw/zinc/99/25/93/917992593.db2.gz MRNABDGGRWOJDQ-XOKHGSTOSA-N 2 1 375.340 3.538 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296637642 918524248 /nfs/dbraw/zinc/52/42/48/918524248.db2.gz DUBUCIYJLYQHFY-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP OC[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000802656005 922314446 /nfs/dbraw/zinc/31/44/46/922314446.db2.gz JJOGFCOSGUDVTC-RUZDIDTESA-N 2 1 394.559 3.687 20 0 GHADMP C[C@@H](NCc1ccccc1CN1CCOCC1)c1ccc(C(F)(F)F)cn1 ZINC000902727946 922440956 /nfs/dbraw/zinc/44/09/56/922440956.db2.gz HLEAAHHOFLCPKX-OAHLLOKOSA-N 2 1 379.426 3.783 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368531538 922732563 /nfs/dbraw/zinc/73/25/63/922732563.db2.gz VPZUGEOLHSDEHU-NQHRYMMQSA-N 2 1 392.591 3.794 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)CC2)cs1 ZINC000368577349 922755900 /nfs/dbraw/zinc/75/59/00/922755900.db2.gz VWOMLJMLJRBPET-GOEBONIOSA-N 2 1 391.503 3.617 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000368640220 922787750 /nfs/dbraw/zinc/78/77/50/922787750.db2.gz BFRLJWBUBWZMQC-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCCC[NH2+]C2)n1 ZINC000903788166 923294085 /nfs/dbraw/zinc/29/40/85/923294085.db2.gz DFEUNVCGDGKDAJ-PVNZRKONSA-N 2 1 391.625 3.731 20 0 GHADMP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908374 923389953 /nfs/dbraw/zinc/38/99/53/923389953.db2.gz HQZDPVHPKLYIFY-YOEHRIQHSA-N 2 1 381.446 3.805 20 0 GHADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908374 923389967 /nfs/dbraw/zinc/38/99/67/923389967.db2.gz HQZDPVHPKLYIFY-YOEHRIQHSA-N 2 1 381.446 3.805 20 0 GHADMP FC(F)(F)c1ccccc1C1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903911205 923393798 /nfs/dbraw/zinc/39/37/98/923393798.db2.gz YURXVPDYWSFNMT-INIZCTEOSA-N 2 1 393.457 3.601 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)c1cccs1 ZINC000370217154 923964013 /nfs/dbraw/zinc/96/40/13/923964013.db2.gz VZLAOCIUTFLNIJ-UHFFFAOYSA-N 2 1 391.625 3.680 20 0 GHADMP CSc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000370217155 923964334 /nfs/dbraw/zinc/96/43/34/923964334.db2.gz VZZVGEBRWQUIRH-UHFFFAOYSA-N 2 1 389.609 3.677 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c2cccs2)CC1 ZINC000677244698 924296978 /nfs/dbraw/zinc/29/69/78/924296978.db2.gz SKXIIGRLLVVFHU-MRXNPFEDSA-N 2 1 399.482 3.567 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000678258591 924692392 /nfs/dbraw/zinc/69/23/92/924692392.db2.gz FLAWFBZEQQCQPL-QFIPXVFZSA-N 2 1 379.548 3.574 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000678258591 924692398 /nfs/dbraw/zinc/69/23/98/924692398.db2.gz FLAWFBZEQQCQPL-QFIPXVFZSA-N 2 1 379.548 3.574 20 0 GHADMP Fc1cccn2cc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)nc12 ZINC000678294713 924710919 /nfs/dbraw/zinc/71/09/19/924710919.db2.gz DNSVNIGEXYHOME-UHFFFAOYSA-N 2 1 378.495 3.962 20 0 GHADMP Fc1cccn2cc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)nc12 ZINC000678294713 924710927 /nfs/dbraw/zinc/71/09/27/924710927.db2.gz DNSVNIGEXYHOME-UHFFFAOYSA-N 2 1 378.495 3.962 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCCOc1cccc(C)c1 ZINC000678342839 924734781 /nfs/dbraw/zinc/73/47/81/924734781.db2.gz AWBSPXNHNXBUMB-SFTDATJTSA-N 2 1 396.531 3.503 20 0 GHADMP CN(Cc1cc(Cl)ccc1OC(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000678718764 924893672 /nfs/dbraw/zinc/89/36/72/924893672.db2.gz CAHHPOUXCPESDI-QGZVFWFLSA-N 2 1 387.902 3.542 20 0 GHADMP C[N@H+](Cc1cc(Cl)ccc1OC(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678718764 924893677 /nfs/dbraw/zinc/89/36/77/924893677.db2.gz CAHHPOUXCPESDI-QGZVFWFLSA-N 2 1 387.902 3.542 20 0 GHADMP C[N@@H+](Cc1cc(Cl)ccc1OC(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678718764 924893683 /nfs/dbraw/zinc/89/36/83/924893683.db2.gz CAHHPOUXCPESDI-QGZVFWFLSA-N 2 1 387.902 3.542 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000679174583 925051807 /nfs/dbraw/zinc/05/18/07/925051807.db2.gz MSBHZZGBMLJSFD-WOJBJXKFSA-N 2 1 384.568 3.580 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001137389695 925277154 /nfs/dbraw/zinc/27/71/54/925277154.db2.gz ASBFNVRPBJOOAO-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001137389695 925277160 /nfs/dbraw/zinc/27/71/60/925277160.db2.gz ASBFNVRPBJOOAO-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3ccncc3)c1)C2 ZINC001137389695 925277166 /nfs/dbraw/zinc/27/71/66/925277166.db2.gz ASBFNVRPBJOOAO-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000410335998 925541153 /nfs/dbraw/zinc/54/11/53/925541153.db2.gz BNEXDMFNWLHKFC-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000410335998 925541158 /nfs/dbraw/zinc/54/11/58/925541158.db2.gz BNEXDMFNWLHKFC-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410335998 925541162 /nfs/dbraw/zinc/54/11/62/925541162.db2.gz BNEXDMFNWLHKFC-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP NC(=O)c1ccc(C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)cc1 ZINC000411149476 926129361 /nfs/dbraw/zinc/12/93/61/926129361.db2.gz VWYRNIVWNHFMRU-UHFFFAOYSA-N 2 1 377.532 3.936 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)n1 ZINC000682841106 926267010 /nfs/dbraw/zinc/26/70/10/926267010.db2.gz GKACXHJEKVBXQN-UAFMIMERSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000682841106 926267018 /nfs/dbraw/zinc/26/70/18/926267018.db2.gz GKACXHJEKVBXQN-UAFMIMERSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000682841106 926267024 /nfs/dbraw/zinc/26/70/24/926267024.db2.gz GKACXHJEKVBXQN-UAFMIMERSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[nH+]1 ZINC000682841106 926267030 /nfs/dbraw/zinc/26/70/30/926267030.db2.gz GKACXHJEKVBXQN-UAFMIMERSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[nH+]1 ZINC000682841106 926267037 /nfs/dbraw/zinc/26/70/37/926267037.db2.gz GKACXHJEKVBXQN-UAFMIMERSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000682841106 926267042 /nfs/dbraw/zinc/26/70/42/926267042.db2.gz GKACXHJEKVBXQN-UAFMIMERSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000682841106 926267051 /nfs/dbraw/zinc/26/70/51/926267051.db2.gz GKACXHJEKVBXQN-UAFMIMERSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)n1 ZINC000682841101 926267124 /nfs/dbraw/zinc/26/71/24/926267124.db2.gz GKACXHJEKVBXQN-IYWMVGAKSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000682841101 926267128 /nfs/dbraw/zinc/26/71/28/926267128.db2.gz GKACXHJEKVBXQN-IYWMVGAKSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000682841101 926267134 /nfs/dbraw/zinc/26/71/34/926267134.db2.gz GKACXHJEKVBXQN-IYWMVGAKSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)[nH+]1 ZINC000682841101 926267141 /nfs/dbraw/zinc/26/71/41/926267141.db2.gz GKACXHJEKVBXQN-IYWMVGAKSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)[nH+]1 ZINC000682841101 926267146 /nfs/dbraw/zinc/26/71/46/926267146.db2.gz GKACXHJEKVBXQN-IYWMVGAKSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000682841101 926267158 /nfs/dbraw/zinc/26/71/58/926267158.db2.gz GKACXHJEKVBXQN-IYWMVGAKSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000682841101 926267166 /nfs/dbraw/zinc/26/71/66/926267166.db2.gz GKACXHJEKVBXQN-IYWMVGAKSA-N 3 1 398.599 3.677 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000725717224 926415465 /nfs/dbraw/zinc/41/54/65/926415465.db2.gz HUCBQZQKNGEDPT-HXUWFJFHSA-N 2 1 384.568 3.779 20 0 GHADMP CSc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000411477724 926445573 /nfs/dbraw/zinc/44/55/73/926445573.db2.gz QMKRMAQLSZWWBX-JXFKEZNVSA-N 2 1 397.544 3.993 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000411548670 926512646 /nfs/dbraw/zinc/51/26/46/926512646.db2.gz FRUAGVWQGRDZPC-CVDCTZTESA-N 2 1 395.547 3.914 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000749448952 927109242 /nfs/dbraw/zinc/10/92/42/927109242.db2.gz AYKICSFLILEPBQ-VAMGGRTRSA-N 2 1 387.568 3.542 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000749459832 927114615 /nfs/dbraw/zinc/11/46/15/927114615.db2.gz JVSLMVQXRIAVBB-UHFFFAOYSA-N 2 1 383.552 3.992 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000749571572 927194041 /nfs/dbraw/zinc/19/40/41/927194041.db2.gz KNZYCAROXRPVKQ-OAQYLSRUSA-N 2 1 394.563 3.535 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000749571572 927194045 /nfs/dbraw/zinc/19/40/45/927194045.db2.gz KNZYCAROXRPVKQ-OAQYLSRUSA-N 2 1 394.563 3.535 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000749571572 927194051 /nfs/dbraw/zinc/19/40/51/927194051.db2.gz KNZYCAROXRPVKQ-OAQYLSRUSA-N 2 1 394.563 3.535 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000412196829 927197340 /nfs/dbraw/zinc/19/73/40/927197340.db2.gz CHDJJXWLIJZKJM-FYYLOGMGSA-N 2 1 381.564 3.761 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796915 927532992 /nfs/dbraw/zinc/53/29/92/927532992.db2.gz DJODXRFAVGZQKM-OALUTQOASA-N 2 1 387.572 3.592 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796915 927532996 /nfs/dbraw/zinc/53/29/96/927532996.db2.gz DJODXRFAVGZQKM-OALUTQOASA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796915 927533001 /nfs/dbraw/zinc/53/30/01/927533001.db2.gz DJODXRFAVGZQKM-OALUTQOASA-N 2 1 387.572 3.592 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374796915 927533005 /nfs/dbraw/zinc/53/30/05/927533005.db2.gz DJODXRFAVGZQKM-OALUTQOASA-N 2 1 387.572 3.592 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374800957 927536802 /nfs/dbraw/zinc/53/68/02/927536802.db2.gz QMLRMVXXRRTWPR-IBGZPJMESA-N 2 1 398.555 3.703 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374800957 927536808 /nfs/dbraw/zinc/53/68/08/927536808.db2.gz QMLRMVXXRRTWPR-IBGZPJMESA-N 2 1 398.555 3.703 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(Cl)c1C ZINC000751008975 927979439 /nfs/dbraw/zinc/97/94/39/927979439.db2.gz AKWDEOPAKMBQNG-MRXNPFEDSA-N 2 1 383.005 3.693 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751109295 928034108 /nfs/dbraw/zinc/03/41/08/928034108.db2.gz DSOZKPINSKIYAT-XPPIMPSXSA-N 2 1 398.595 3.699 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000467167185 928780209 /nfs/dbraw/zinc/78/02/09/928780209.db2.gz AWBCNONKHJVAJG-UHFFFAOYSA-N 2 1 383.536 3.601 20 0 GHADMP CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000544191502 928914565 /nfs/dbraw/zinc/91/45/65/928914565.db2.gz ZEBZLRXXBUXKSP-SFHVURJKSA-N 2 1 375.582 3.542 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000544239034 928966100 /nfs/dbraw/zinc/96/61/00/928966100.db2.gz DMTKMJITZBCHQU-LJQANCHMSA-N 2 1 384.568 3.580 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000544348530 929080996 /nfs/dbraw/zinc/08/09/96/929080996.db2.gz NHJKAEUNIAQPNU-MOPGFXCFSA-N 2 1 375.520 3.671 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000753662226 929468442 /nfs/dbraw/zinc/46/84/42/929468442.db2.gz QWHMOXQDDRHRQT-WPYKKVEZSA-N 2 1 382.548 3.846 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000753662226 929468449 /nfs/dbraw/zinc/46/84/49/929468449.db2.gz QWHMOXQDDRHRQT-WPYKKVEZSA-N 2 1 382.548 3.846 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000467854200 929509583 /nfs/dbraw/zinc/50/95/83/929509583.db2.gz VMFQPGHGFHKCED-OXJNMPFZSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000467854200 929509594 /nfs/dbraw/zinc/50/95/94/929509594.db2.gz VMFQPGHGFHKCED-OXJNMPFZSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@@](C)(c3ccccn3)CC2=O)CC1 ZINC000758239528 929983964 /nfs/dbraw/zinc/98/39/64/929983964.db2.gz MRBOEHVHSZQLRC-YKSBVNFPSA-N 2 1 398.595 3.506 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@@](C)(c3ccccn3)CC2=O)CC1 ZINC000758239528 929983967 /nfs/dbraw/zinc/98/39/67/929983967.db2.gz MRBOEHVHSZQLRC-YKSBVNFPSA-N 2 1 398.595 3.506 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469758458 930141288 /nfs/dbraw/zinc/14/12/88/930141288.db2.gz RFQXQAJTLPAJCA-SFTDATJTSA-N 2 1 393.575 3.781 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469761508 930143455 /nfs/dbraw/zinc/14/34/55/930143455.db2.gz BELQTWOGGOUUOU-NJYVYQBISA-N 2 1 393.575 3.952 20 0 GHADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(Br)c1OC(F)F ZINC000470022654 930323644 /nfs/dbraw/zinc/32/36/44/930323644.db2.gz PEOYLGAGBNSPOU-UHFFFAOYSA-N 2 1 393.272 3.633 20 0 GHADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(Br)c1OC(F)F ZINC000470022654 930323649 /nfs/dbraw/zinc/32/36/49/930323649.db2.gz PEOYLGAGBNSPOU-UHFFFAOYSA-N 2 1 393.272 3.633 20 0 GHADMP COc1cc(Br)ccc1CCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000546766950 930415728 /nfs/dbraw/zinc/41/57/28/930415728.db2.gz KWNIXNBZOAZMJQ-UHFFFAOYSA-N 2 1 378.314 3.641 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780880010 930625240 /nfs/dbraw/zinc/62/52/40/930625240.db2.gz WWLCNURRSWKZFB-UGKGYDQZSA-N 2 1 377.532 3.814 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)[NH+]2CCCC2)cc1 ZINC000470733012 930867061 /nfs/dbraw/zinc/86/70/61/930867061.db2.gz MNQJBJDNVPYLAC-GGAORHGYSA-N 2 1 398.595 3.505 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000470769895 930896741 /nfs/dbraw/zinc/89/67/41/930896741.db2.gz VDSRBAGEMRUDMG-DFIYOIEZSA-N 2 1 396.575 3.564 20 0 GHADMP CN(C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470896291 931008197 /nfs/dbraw/zinc/00/81/97/931008197.db2.gz FCPNWSDJHRGKBQ-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470896291 931008201 /nfs/dbraw/zinc/00/82/01/931008201.db2.gz FCPNWSDJHRGKBQ-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470896291 931008209 /nfs/dbraw/zinc/00/82/09/931008209.db2.gz FCPNWSDJHRGKBQ-DHIUTWEWSA-N 2 1 398.595 3.557 20 0 GHADMP c1csc(-c2noc(CCC[N@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000470995377 931083865 /nfs/dbraw/zinc/08/38/65/931083865.db2.gz IAABZWXOWMTBMW-KDURUIRLSA-N 2 1 394.544 3.795 20 0 GHADMP c1csc(-c2noc(CCC[N@@H+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000470995377 931083871 /nfs/dbraw/zinc/08/38/71/931083871.db2.gz IAABZWXOWMTBMW-KDURUIRLSA-N 2 1 394.544 3.795 20 0 GHADMP c1csc(-c2noc(CCC[NH+]3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000470995377 931083884 /nfs/dbraw/zinc/08/38/84/931083884.db2.gz IAABZWXOWMTBMW-KDURUIRLSA-N 2 1 394.544 3.795 20 0 GHADMP c1csc(-c2noc(CCC[NH+]3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000470995377 931083892 /nfs/dbraw/zinc/08/38/92/931083892.db2.gz IAABZWXOWMTBMW-KDURUIRLSA-N 2 1 394.544 3.795 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000557266148 931310317 /nfs/dbraw/zinc/31/03/17/931310317.db2.gz NQHOUDQPZGVMBD-GOSISDBHSA-N 2 1 393.510 3.764 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000783325818 931520612 /nfs/dbraw/zinc/52/06/12/931520612.db2.gz CBEARABIYYJTFG-WTGUMLROSA-N 2 1 397.604 3.549 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000924873705 931570104 /nfs/dbraw/zinc/57/01/04/931570104.db2.gz MSQWJLTTYJMASE-WWDZGPRUSA-N 2 1 393.597 3.853 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000924873705 931570110 /nfs/dbraw/zinc/57/01/10/931570110.db2.gz MSQWJLTTYJMASE-WWDZGPRUSA-N 2 1 393.597 3.853 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccc(C(F)(F)F)cc1)c1cnnn1C ZINC000925089598 931640774 /nfs/dbraw/zinc/64/07/74/931640774.db2.gz KNRMKTOZLFNJPF-JCKWVBRZSA-N 2 1 381.446 3.568 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1OC ZINC000557844041 931718162 /nfs/dbraw/zinc/71/81/62/931718162.db2.gz KMIFWLGXPSVGRK-YLJYHZDGSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1OC ZINC000557844041 931718163 /nfs/dbraw/zinc/71/81/63/931718163.db2.gz KMIFWLGXPSVGRK-YLJYHZDGSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cn1 ZINC000925475542 931798256 /nfs/dbraw/zinc/79/82/56/931798256.db2.gz VJSBDJNIYOOXRQ-XGRCMKMKSA-N 2 1 397.519 3.757 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000558567524 932078857 /nfs/dbraw/zinc/07/88/57/932078857.db2.gz VSBUOIIQMMEOOO-BXWQOUMASA-N 2 1 393.522 3.792 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000796887988 932098190 /nfs/dbraw/zinc/09/81/90/932098190.db2.gz JUUNXSSLVUYENA-NXOAAHMSSA-N 2 1 376.850 3.552 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000798119868 932538644 /nfs/dbraw/zinc/53/86/44/932538644.db2.gz FOOWSSDBXRVWHR-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)NC(=O)OC(C)(C)C ZINC000798272395 932586783 /nfs/dbraw/zinc/58/67/83/932586783.db2.gz QAAVZFYDQDZPTD-KRWDZBQOSA-N 2 1 393.547 3.726 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000798482964 932666390 /nfs/dbraw/zinc/66/63/90/932666390.db2.gz QUODJLIHGHXDGY-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798482964 932666396 /nfs/dbraw/zinc/66/63/96/932666396.db2.gz QUODJLIHGHXDGY-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP C[C@]1(CNC(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798482964 932666402 /nfs/dbraw/zinc/66/64/02/932666402.db2.gz QUODJLIHGHXDGY-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000799120226 932881526 /nfs/dbraw/zinc/88/15/26/932881526.db2.gz JDRPXKJNFRDFGG-UHFFFAOYSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178690 932899219 /nfs/dbraw/zinc/89/92/19/932899219.db2.gz DDOONTXFWKZTAM-FXAWDEMLSA-N 2 1 380.960 3.586 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178881 932899233 /nfs/dbraw/zinc/89/92/33/932899233.db2.gz OVNBPXTWVJTAIO-INIZCTEOSA-N 2 1 393.959 3.792 20 0 GHADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177300 932899283 /nfs/dbraw/zinc/89/92/83/932899283.db2.gz PYACEMGWDNKDJO-UHFFFAOYSA-N 2 1 398.378 3.760 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(C)cc2c1Cl ZINC001115940213 933252447 /nfs/dbraw/zinc/25/24/47/933252447.db2.gz ZHPIFZUTEBEKAB-INIZCTEOSA-N 2 1 390.959 3.618 20 0 GHADMP CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC001115995773 933272962 /nfs/dbraw/zinc/27/29/62/933272962.db2.gz XBPYKCHKDGMJLD-IBGZPJMESA-N 2 1 383.540 3.908 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC001115995773 933272967 /nfs/dbraw/zinc/27/29/67/933272967.db2.gz XBPYKCHKDGMJLD-IBGZPJMESA-N 2 1 383.540 3.908 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000560538238 933323919 /nfs/dbraw/zinc/32/39/19/933323919.db2.gz QOTNYRKVPPBRDZ-RJGXRXQPSA-N 2 1 392.547 3.820 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1)CC1CC1 ZINC000560819137 933585490 /nfs/dbraw/zinc/58/54/90/933585490.db2.gz NJPCUJJRTJYVRD-UHFFFAOYSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@]1(C[NH2+]Cc2ccccc2N2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001116914221 933825941 /nfs/dbraw/zinc/82/59/41/933825941.db2.gz TXXQZSACBWNYLH-DEOSSOPVSA-N 2 1 379.548 3.525 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3cccc(OC)c3)CC2)CC1 ZINC000561103771 933868023 /nfs/dbraw/zinc/86/80/23/933868023.db2.gz OROXMVMUKXPKRB-QHCPKHFHSA-N 2 1 399.579 3.555 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001117714683 933993312 /nfs/dbraw/zinc/99/33/12/933993312.db2.gz JNOQBJYWWOXIOL-YXPZWWFCSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001117714683 933993323 /nfs/dbraw/zinc/99/33/23/933993323.db2.gz JNOQBJYWWOXIOL-YXPZWWFCSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117714683 933993331 /nfs/dbraw/zinc/99/33/31/933993331.db2.gz JNOQBJYWWOXIOL-YXPZWWFCSA-N 2 1 398.595 3.554 20 0 GHADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(C)n1 ZINC000561278633 934013835 /nfs/dbraw/zinc/01/38/35/934013835.db2.gz NTZZVQHGDXPJBQ-AVRDEDQJSA-N 2 1 394.563 3.673 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cn1 ZINC001119539594 934365848 /nfs/dbraw/zinc/36/58/48/934365848.db2.gz BGFKANAIOGBTMF-HNNXBMFYSA-N 2 1 378.442 3.703 20 0 GHADMP Cc1ccc([C@@H](OC[C@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC001120520223 934469230 /nfs/dbraw/zinc/46/92/30/934469230.db2.gz SYJJMZDXTJRPSS-RCTAOEEJSA-N 2 1 394.559 3.678 20 0 GHADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@]2(C)C1 ZINC000931306485 934496294 /nfs/dbraw/zinc/49/62/94/934496294.db2.gz GYYXPKZJHBZLGP-ZLNRFVROSA-N 2 1 397.588 3.617 20 0 GHADMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@]2(C)C1 ZINC000931306485 934496299 /nfs/dbraw/zinc/49/62/99/934496299.db2.gz GYYXPKZJHBZLGP-ZLNRFVROSA-N 2 1 397.588 3.617 20 0 GHADMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@]2(C)C1 ZINC000931306485 934496303 /nfs/dbraw/zinc/49/63/03/934496303.db2.gz GYYXPKZJHBZLGP-ZLNRFVROSA-N 2 1 397.588 3.617 20 0 GHADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@]2(C)C1 ZINC000931306485 934496307 /nfs/dbraw/zinc/49/63/07/934496307.db2.gz GYYXPKZJHBZLGP-ZLNRFVROSA-N 2 1 397.588 3.617 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000562012115 934631196 /nfs/dbraw/zinc/63/11/96/934631196.db2.gz ARWOMJPVNCXZPW-CNNODRBYSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000562012115 934631199 /nfs/dbraw/zinc/63/11/99/934631199.db2.gz ARWOMJPVNCXZPW-CNNODRBYSA-N 2 1 375.520 3.971 20 0 GHADMP COC(=O)c1oc([C@H](C)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000562060486 934665435 /nfs/dbraw/zinc/66/54/35/934665435.db2.gz UAUADCIAPMORMK-IHPCNDPISA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000562060486 934665439 /nfs/dbraw/zinc/66/54/39/934665439.db2.gz UAUADCIAPMORMK-IHPCNDPISA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000562060486 934665441 /nfs/dbraw/zinc/66/54/41/934665441.db2.gz UAUADCIAPMORMK-IHPCNDPISA-N 2 1 382.504 3.890 20 0 GHADMP CC(C)(C[NH3+])C1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC001122347690 934856776 /nfs/dbraw/zinc/85/67/76/934856776.db2.gz UOSZHHMOXALSSC-GOSISDBHSA-N 2 1 386.584 3.717 20 0 GHADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC001124283915 935369577 /nfs/dbraw/zinc/36/95/77/935369577.db2.gz GYDHPVMMPHTPNP-NJYVYQBISA-N 2 1 383.536 3.547 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC001124283915 935369581 /nfs/dbraw/zinc/36/95/81/935369581.db2.gz GYDHPVMMPHTPNP-NJYVYQBISA-N 2 1 383.536 3.547 20 0 GHADMP CC[N@@H+](CCn1ccnc1)Cc1cc(Br)cc(Br)c1 ZINC001137846857 935821698 /nfs/dbraw/zinc/82/16/98/935821698.db2.gz XKTDYXDUGPZFMD-UHFFFAOYSA-N 2 1 387.119 3.930 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CCCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000829959522 935885650 /nfs/dbraw/zinc/88/56/50/935885650.db2.gz XQMZOHKPEGYNLD-VQIMIIECSA-N 2 1 385.474 3.724 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000829963420 935885957 /nfs/dbraw/zinc/88/59/57/935885957.db2.gz KGTOZQIGYCBJNN-XKGZKEIXSA-N 2 1 397.485 3.737 20 0 GHADMP Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc(C)c1F ZINC001211910531 1014572203 /nfs/dbraw/zinc/57/22/03/1014572203.db2.gz FRSOWEPYIFANLQ-LJQANCHMSA-N 2 1 392.478 3.682 20 0 GHADMP Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc(C)c1F ZINC001211910531 1014572210 /nfs/dbraw/zinc/57/22/10/1014572210.db2.gz FRSOWEPYIFANLQ-LJQANCHMSA-N 2 1 392.478 3.682 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC3(COC(C)(C)C3)CC2)c2cccs2)CC1 ZINC001461003087 1069328885 /nfs/dbraw/zinc/32/88/85/1069328885.db2.gz IVOSHBUQBVMWMD-LVIWNVNYSA-N 2 1 391.625 3.754 20 0 GHADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544894879 1015169052 /nfs/dbraw/zinc/16/90/52/1015169052.db2.gz YHTVLKWXURKJAB-ONTIZHBOSA-N 2 1 379.548 3.733 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000468294535 1015555826 /nfs/dbraw/zinc/55/58/26/1015555826.db2.gz JKASFBDXJCXPPE-DEOSSOPVSA-N 2 1 391.559 3.953 20 0 GHADMP CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468512815 1015766240 /nfs/dbraw/zinc/76/62/40/1015766240.db2.gz YLEMNOHFVJKTOV-UNMCSNQZSA-N 2 1 387.568 3.796 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3C[C@H](C)CN(Cc4ccccc4)C3)CCCC2)CC1 ZINC000468553633 1015799757 /nfs/dbraw/zinc/79/97/57/1015799757.db2.gz KUJJCGZSHOOISU-GMAHTHKFSA-N 2 1 399.623 3.910 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1I ZINC000546689580 1016715799 /nfs/dbraw/zinc/71/57/99/1016715799.db2.gz OQVNFCRLUSIGHU-UHFFFAOYSA-N 2 1 384.305 3.564 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000470143128 1016735363 /nfs/dbraw/zinc/73/53/63/1016735363.db2.gz JGGQSRVWYICISZ-ZFJSRUIDSA-N 2 1 380.532 3.760 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000470143127 1016736217 /nfs/dbraw/zinc/73/62/17/1016736217.db2.gz JGGQSRVWYICISZ-WNOPAQSVSA-N 2 1 380.532 3.760 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000470602471 1016830619 /nfs/dbraw/zinc/83/06/19/1016830619.db2.gz SVSIQBKINMNWCC-RBUKOAKNSA-N 2 1 397.485 3.831 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CCOCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470950393 1016928566 /nfs/dbraw/zinc/92/85/66/1016928566.db2.gz XUTJLCGFYJVAHQ-AAVRWANBSA-N 2 1 376.385 3.548 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001220917344 1032187432 /nfs/dbraw/zinc/18/74/32/1032187432.db2.gz WUUDFKGALASSMD-RBBKRZOGSA-N 2 1 395.591 3.566 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CCCc1ccccc1 ZINC001221011276 1032235110 /nfs/dbraw/zinc/23/51/10/1032235110.db2.gz ZBQHMDDEOMXBHO-XZOQPEGZSA-N 2 1 393.575 3.754 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001221064756 1032263134 /nfs/dbraw/zinc/26/31/34/1032263134.db2.gz QJCAWEWHVJMRFG-VJBMBRPKSA-N 2 1 394.563 3.642 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)c1ccccc1Cl ZINC001221074065 1032268453 /nfs/dbraw/zinc/26/84/53/1032268453.db2.gz JUTXBMHQFDBBJY-WOJBJXKFSA-N 2 1 394.991 3.705 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001221088847 1032279468 /nfs/dbraw/zinc/27/94/68/1032279468.db2.gz YCTBIALKFGNUNM-MOPGFXCFSA-N 2 1 390.597 3.591 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001155039512 1032391117 /nfs/dbraw/zinc/39/11/17/1032391117.db2.gz NVALTECDPHHGLM-GJZGRUSLSA-N 2 1 385.512 3.532 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001227382157 1032397334 /nfs/dbraw/zinc/39/73/34/1032397334.db2.gz BMAWCJRMQARIAF-FQEVSTJZSA-N 2 1 388.600 3.982 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@@H]2C[NH2+]CCC2(OCC)OCC)nc1 ZINC001155233703 1032465679 /nfs/dbraw/zinc/46/56/79/1032465679.db2.gz XRJXYHSFZBTBSF-VQTJNVASSA-N 2 1 390.572 3.562 20 0 GHADMP CSCc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001155363686 1032519898 /nfs/dbraw/zinc/51/98/98/1032519898.db2.gz ZQHUOQOBMKHNPG-NRFANRHFSA-N 2 1 396.604 3.858 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001204150542 1032605317 /nfs/dbraw/zinc/60/53/17/1032605317.db2.gz SBSIJHHSLYBOGR-DEOSSOPVSA-N 2 1 378.516 3.961 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001204150542 1032605325 /nfs/dbraw/zinc/60/53/25/1032605325.db2.gz SBSIJHHSLYBOGR-DEOSSOPVSA-N 2 1 378.516 3.961 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001204150542 1032605331 /nfs/dbraw/zinc/60/53/31/1032605331.db2.gz SBSIJHHSLYBOGR-DEOSSOPVSA-N 2 1 378.516 3.961 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001204150542 1032605337 /nfs/dbraw/zinc/60/53/37/1032605337.db2.gz SBSIJHHSLYBOGR-DEOSSOPVSA-N 2 1 378.516 3.961 20 0 GHADMP COc1cccc(OC)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001204251673 1032695629 /nfs/dbraw/zinc/69/56/29/1032695629.db2.gz XVIBIBZBXSLLBW-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)[nH+]c1C ZINC000931747750 1018045198 /nfs/dbraw/zinc/04/51/98/1018045198.db2.gz DBGLPJXLYYEJPF-AEFFLSMTSA-N 2 1 376.545 3.899 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000562489402 1018212054 /nfs/dbraw/zinc/21/20/54/1018212054.db2.gz FWDACJQHABREQX-GOSISDBHSA-N 2 1 398.514 3.835 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)cc1C ZINC001204352561 1032790799 /nfs/dbraw/zinc/79/07/99/1032790799.db2.gz JAGPMYQLOWPPCX-WXFUMESZSA-N 2 1 386.580 3.784 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)o1 ZINC001204390667 1032816838 /nfs/dbraw/zinc/81/68/38/1032816838.db2.gz IUZOHQUBFYKNOQ-HXUWFJFHSA-N 2 1 390.568 3.572 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000778550567 1019252567 /nfs/dbraw/zinc/25/25/67/1019252567.db2.gz COOJZICJLOXRBC-WPYKKVEZSA-N 2 1 377.532 3.601 20 0 GHADMP Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000778550567 1019252568 /nfs/dbraw/zinc/25/25/68/1019252568.db2.gz COOJZICJLOXRBC-WPYKKVEZSA-N 2 1 377.532 3.601 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000567851593 1019345841 /nfs/dbraw/zinc/34/58/41/1019345841.db2.gz QVGALJGAMYFTBQ-JOCHJYFZSA-N 2 1 377.532 3.723 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000567851593 1019345856 /nfs/dbraw/zinc/34/58/56/1019345856.db2.gz QVGALJGAMYFTBQ-JOCHJYFZSA-N 2 1 377.532 3.723 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC000779149282 1020419807 /nfs/dbraw/zinc/41/98/07/1020419807.db2.gz FEUHKINNAAMEQH-RTWAWAEBSA-N 2 1 385.552 3.631 20 0 GHADMP Cc1ccc([C@@H](C)C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1 ZINC000628232596 1020678813 /nfs/dbraw/zinc/67/88/13/1020678813.db2.gz FMXULKDTSBAVPR-FQEVSTJZSA-N 2 1 395.547 3.549 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3cccc(C[NH2+]CC4CC4)c3)c2)CC1 ZINC000629762163 1020765944 /nfs/dbraw/zinc/76/59/44/1020765944.db2.gz PMJPMJIHRAHURB-UHFFFAOYSA-N 2 1 377.532 3.517 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc(C4CC[NH2+]CC4)cc3C)c2)CC1 ZINC000629762048 1020766821 /nfs/dbraw/zinc/76/68/21/1020766821.db2.gz LVXQYDYJCSYLHP-UHFFFAOYSA-N 2 1 391.559 3.793 20 0 GHADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NO[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000779651869 1020910426 /nfs/dbraw/zinc/91/04/26/1020910426.db2.gz MAXOIFDXLVYPLF-GUYCJALGSA-N 2 1 392.887 3.664 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NO[C@@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000779651869 1020910432 /nfs/dbraw/zinc/91/04/32/1020910432.db2.gz MAXOIFDXLVYPLF-GUYCJALGSA-N 2 1 392.887 3.664 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000632872721 1020917098 /nfs/dbraw/zinc/91/70/98/1020917098.db2.gz AJHLUQMQYSGPQH-GOTSBHOMSA-N 2 1 377.532 3.533 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245786193 1021025429 /nfs/dbraw/zinc/02/54/29/1021025429.db2.gz ZNYYSSCNRWNHAH-XSDIEEQYSA-N 2 1 385.552 3.781 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638972536 1021058777 /nfs/dbraw/zinc/05/87/77/1021058777.db2.gz UNKTZYVVRLOPEC-FQEVSTJZSA-N 2 1 397.469 3.760 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638972536 1021058784 /nfs/dbraw/zinc/05/87/84/1021058784.db2.gz UNKTZYVVRLOPEC-FQEVSTJZSA-N 2 1 397.469 3.760 20 0 GHADMP CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497845 1021148418 /nfs/dbraw/zinc/14/84/18/1021148418.db2.gz XRSIELWMSQGKIA-WOJBJXKFSA-N 2 1 384.520 3.842 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000647497845 1021148423 /nfs/dbraw/zinc/14/84/23/1021148423.db2.gz XRSIELWMSQGKIA-WOJBJXKFSA-N 2 1 384.520 3.842 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH2+]C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000652288036 1021217250 /nfs/dbraw/zinc/21/72/50/1021217250.db2.gz RCELZMUMUSUETF-CVDCTZTESA-N 2 1 394.563 3.773 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccc(OC4CC[NH+](C)CC4)cc3)c2)CC1 ZINC001204565290 1032975791 /nfs/dbraw/zinc/97/57/91/1032975791.db2.gz XHSZVLUFEFBFCQ-UHFFFAOYSA-N 2 1 394.563 3.651 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4nc(N5CCCCC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001156318205 1032982445 /nfs/dbraw/zinc/98/24/45/1032982445.db2.gz QGEVFXWDIZDQSZ-ACRUOGEOSA-N 2 1 377.536 3.789 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4nc(N5CCCCC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001156318205 1032982449 /nfs/dbraw/zinc/98/24/49/1032982449.db2.gz QGEVFXWDIZDQSZ-ACRUOGEOSA-N 2 1 377.536 3.789 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCC3)CC2 ZINC001203028434 1021492595 /nfs/dbraw/zinc/49/25/95/1021492595.db2.gz LQDHCVPURRJDDH-XMMPIXPASA-N 2 1 391.559 3.826 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC001204594553 1032988586 /nfs/dbraw/zinc/98/85/86/1032988586.db2.gz ZDRPDFWLCGFGEN-MRXNPFEDSA-N 2 1 377.529 3.882 20 0 GHADMP Cn1cnc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001140507657 1021893432 /nfs/dbraw/zinc/89/34/32/1021893432.db2.gz NLEKFWUVWXJVNF-IEIRFRATSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001140507657 1021893445 /nfs/dbraw/zinc/89/34/45/1021893445.db2.gz NLEKFWUVWXJVNF-IEIRFRATSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001140507657 1021893461 /nfs/dbraw/zinc/89/34/61/1021893461.db2.gz NLEKFWUVWXJVNF-IEIRFRATSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)ccc21 ZINC001140507657 1021893472 /nfs/dbraw/zinc/89/34/72/1021893472.db2.gz NLEKFWUVWXJVNF-IEIRFRATSA-N 2 1 389.547 3.701 20 0 GHADMP CN(c1cnc2cc(Cl)c(Cl)cc2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000679845624 1022052225 /nfs/dbraw/zinc/05/22/25/1022052225.db2.gz JQJICHJLIPGSSW-CQSZACIVSA-N 2 1 394.350 3.541 20 0 GHADMP CN(c1cnc2cc(Cl)c(Cl)cc2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000679845624 1022052252 /nfs/dbraw/zinc/05/22/52/1022052252.db2.gz JQJICHJLIPGSSW-CQSZACIVSA-N 2 1 394.350 3.541 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001140617896 1022084135 /nfs/dbraw/zinc/08/41/35/1022084135.db2.gz VBFHWNZMIWOJFB-ZEQRLZLVSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001140617896 1022084152 /nfs/dbraw/zinc/08/41/52/1022084152.db2.gz VBFHWNZMIWOJFB-ZEQRLZLVSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001140617896 1022084164 /nfs/dbraw/zinc/08/41/64/1022084164.db2.gz VBFHWNZMIWOJFB-ZEQRLZLVSA-N 2 1 391.559 3.779 20 0 GHADMP CC(C)NC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001140617896 1022084178 /nfs/dbraw/zinc/08/41/78/1022084178.db2.gz VBFHWNZMIWOJFB-ZEQRLZLVSA-N 2 1 391.559 3.779 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(C)c1 ZINC001140674042 1022228762 /nfs/dbraw/zinc/22/87/62/1022228762.db2.gz KBZRFEKUWCTCGA-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)c1 ZINC001140674042 1022228772 /nfs/dbraw/zinc/22/87/72/1022228772.db2.gz KBZRFEKUWCTCGA-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)c1 ZINC001140674042 1022228777 /nfs/dbraw/zinc/22/87/77/1022228777.db2.gz KBZRFEKUWCTCGA-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(C)c1 ZINC001140674369 1022230414 /nfs/dbraw/zinc/23/04/14/1022230414.db2.gz DXPYOFVPDISQAC-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(C)c1 ZINC001140674369 1022230424 /nfs/dbraw/zinc/23/04/24/1022230424.db2.gz DXPYOFVPDISQAC-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(C)c1 ZINC001140674369 1022230432 /nfs/dbraw/zinc/23/04/32/1022230432.db2.gz DXPYOFVPDISQAC-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(C)c1 ZINC001140674369 1022230442 /nfs/dbraw/zinc/23/04/42/1022230442.db2.gz DXPYOFVPDISQAC-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390836920 1022378083 /nfs/dbraw/zinc/37/80/83/1022378083.db2.gz ABSAUNXHJFRYGX-WOJBJXKFSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390836920 1022378097 /nfs/dbraw/zinc/37/80/97/1022378097.db2.gz ABSAUNXHJFRYGX-WOJBJXKFSA-N 2 1 387.568 3.886 20 0 GHADMP Cc1nc(CN2CCO[C@@H]3C[N@@H+](Cc4coc5ccccc45)CC[C@@H]3C2)cs1 ZINC001140785627 1022525372 /nfs/dbraw/zinc/52/53/72/1022525372.db2.gz PHRIXYZMDRZGCX-VGOFRKELSA-N 2 1 397.544 3.921 20 0 GHADMP Cc1nc(CO[C@H]2COC3(C2)CC[NH+](Cc2c[nH]c4cc[nH+]cc24)CC3)cs1 ZINC001140802874 1022571494 /nfs/dbraw/zinc/57/14/94/1022571494.db2.gz HQJBYCKXKQLHRZ-GOSISDBHSA-N 2 1 398.532 3.668 20 0 GHADMP O=C(c1cccs1)N1CCC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803072 1022573560 /nfs/dbraw/zinc/57/35/60/1022573560.db2.gz IHDXDBFYQLELSC-UHFFFAOYSA-N 2 1 380.517 3.753 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140841972 1022677424 /nfs/dbraw/zinc/67/74/24/1022677424.db2.gz ANMYLZJPQLCPLR-RTBURBONSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140841972 1022677441 /nfs/dbraw/zinc/67/74/41/1022677441.db2.gz ANMYLZJPQLCPLR-RTBURBONSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140841972 1022677448 /nfs/dbraw/zinc/67/74/48/1022677448.db2.gz ANMYLZJPQLCPLR-RTBURBONSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001140841972 1022677461 /nfs/dbraw/zinc/67/74/61/1022677461.db2.gz ANMYLZJPQLCPLR-RTBURBONSA-N 2 1 397.592 3.584 20 0 GHADMP FC(F)Oc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1OCC1CC1 ZINC001140903049 1022838119 /nfs/dbraw/zinc/83/81/19/1022838119.db2.gz MGEWANIBFSDDMX-UHFFFAOYSA-N 2 1 389.446 3.794 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000757017914 1023908637 /nfs/dbraw/zinc/90/86/37/1023908637.db2.gz RNHFRHXGLNJUGT-QFIPXVFZSA-N 2 1 384.568 3.517 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000757017914 1023908639 /nfs/dbraw/zinc/90/86/39/1023908639.db2.gz RNHFRHXGLNJUGT-QFIPXVFZSA-N 2 1 384.568 3.517 20 0 GHADMP CC[NH+]1C[C@@H]2C[NH+](Cc3cnccc3-c3cccc(Br)c3)C[C@H]2C1 ZINC001138076653 1024007309 /nfs/dbraw/zinc/00/73/09/1024007309.db2.gz QDGFJYXEMVOOAN-QZTJIDSGSA-N 2 1 386.337 3.895 20 0 GHADMP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1OCc1ccccc1 ZINC001141254421 1024298649 /nfs/dbraw/zinc/29/86/49/1024298649.db2.gz PCWJWEIKUKPDLI-UHFFFAOYSA-N 2 1 393.575 3.787 20 0 GHADMP CC1CC[NH+](CCC[NH2+]Cc2ccc(I)s2)CC1 ZINC001461012849 1069334705 /nfs/dbraw/zinc/33/47/05/1069334705.db2.gz JTQLCCAPMAFISD-UHFFFAOYSA-N 2 1 378.323 3.564 20 0 GHADMP COc1cc(Cl)ncc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001141340270 1024622156 /nfs/dbraw/zinc/62/21/56/1024622156.db2.gz BDPNVVYPEQRBTM-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1cc(Cl)ncc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001141340270 1024622171 /nfs/dbraw/zinc/62/21/71/1024622171.db2.gz BDPNVVYPEQRBTM-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(-c4ccsc4)c3)CC[C@@H]2C1 ZINC001141381550 1024798783 /nfs/dbraw/zinc/79/87/83/1024798783.db2.gz JAVJPCGGYSXDIE-IFMALSPDSA-N 2 1 386.561 3.584 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(-c4ccsc4)c3)CC[C@@H]2C1 ZINC001141381550 1024798793 /nfs/dbraw/zinc/79/87/93/1024798793.db2.gz JAVJPCGGYSXDIE-IFMALSPDSA-N 2 1 386.561 3.584 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(-c4ccsc4)c3)CC[C@@H]2C1 ZINC001141381550 1024798801 /nfs/dbraw/zinc/79/88/01/1024798801.db2.gz JAVJPCGGYSXDIE-IFMALSPDSA-N 2 1 386.561 3.584 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)cc1 ZINC001138544295 1024987925 /nfs/dbraw/zinc/98/79/25/1024987925.db2.gz FVXRSOHCIBONSN-QGZVFWFLSA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)cc1 ZINC001138544295 1024987935 /nfs/dbraw/zinc/98/79/35/1024987935.db2.gz FVXRSOHCIBONSN-QGZVFWFLSA-N 2 1 384.524 3.870 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1OC(C)C ZINC001138575035 1025050597 /nfs/dbraw/zinc/05/05/97/1025050597.db2.gz KTOKOHZPOCNPSB-YADHBBJMSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)ccc1OC(C)C ZINC001138575035 1025050604 /nfs/dbraw/zinc/05/06/04/1025050604.db2.gz KTOKOHZPOCNPSB-YADHBBJMSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)ccc1OC(C)C ZINC001138575035 1025050610 /nfs/dbraw/zinc/05/06/10/1025050610.db2.gz KTOKOHZPOCNPSB-YADHBBJMSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)ccc1OC(C)C ZINC001138575035 1025050620 /nfs/dbraw/zinc/05/06/20/1025050620.db2.gz KTOKOHZPOCNPSB-YADHBBJMSA-N 2 1 395.547 3.831 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC001141454968 1025101760 /nfs/dbraw/zinc/10/17/60/1025101760.db2.gz XFQWNSXJLQGJJS-QHCPKHFHSA-N 2 1 389.559 3.747 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(c2)CCCO4)CC3)c1 ZINC001138715425 1025238782 /nfs/dbraw/zinc/23/87/82/1025238782.db2.gz OQPOOHUTKRESNF-UHFFFAOYSA-N 2 1 377.532 3.895 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](c2ccccc2)C1 ZINC001138772350 1025341446 /nfs/dbraw/zinc/34/14/46/1025341446.db2.gz ZYQJPXAQZCEEKK-JTHBVZDNSA-N 2 1 396.531 3.753 20 0 GHADMP C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772295 1025341658 /nfs/dbraw/zinc/34/16/58/1025341658.db2.gz YBNCWJNZFYCOJQ-FXAWDEMLSA-N 2 1 391.556 3.505 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000832257225 1025379774 /nfs/dbraw/zinc/37/97/74/1025379774.db2.gz FWKHSQXDFCOVJJ-PMACEKPBSA-N 2 1 379.589 3.831 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000838895246 1025424664 /nfs/dbraw/zinc/42/46/64/1025424664.db2.gz OZCLGHUYBRHZCF-UHFFFAOYSA-N 2 1 385.552 3.640 20 0 GHADMP C[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000839011023 1025516505 /nfs/dbraw/zinc/51/65/05/1025516505.db2.gz LKYZYOJPQKYVLJ-IRXDYDNUSA-N 2 1 377.573 3.629 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](CC)Cc2ccccc2)c1C ZINC001141565179 1025566459 /nfs/dbraw/zinc/56/64/59/1025566459.db2.gz WMWRHHCIGGIDNG-UHFFFAOYSA-N 2 1 384.568 3.725 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001138964732 1025671538 /nfs/dbraw/zinc/67/15/38/1025671538.db2.gz VLBKYZNJOCYRSP-UHFFFAOYSA-N 2 1 393.531 3.885 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000839188525 1025707276 /nfs/dbraw/zinc/70/72/76/1025707276.db2.gz IJZAPHLLVLGAKS-OALUTQOASA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000839188525 1025707294 /nfs/dbraw/zinc/70/72/94/1025707294.db2.gz IJZAPHLLVLGAKS-OALUTQOASA-N 2 1 376.545 3.693 20 0 GHADMP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162454532 1025753811 /nfs/dbraw/zinc/75/38/11/1025753811.db2.gz ORDRWIAHUJOUKC-FPOVZHCZSA-N 2 1 378.564 3.996 20 0 GHADMP Brc1c[nH]nc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001139027270 1025792901 /nfs/dbraw/zinc/79/29/01/1025792901.db2.gz SRWWRIOHKJDEHS-IRXDYDNUSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001139027270 1025792918 /nfs/dbraw/zinc/79/29/18/1025792918.db2.gz SRWWRIOHKJDEHS-IRXDYDNUSA-N 2 1 389.341 3.516 20 0 GHADMP Brc1c[nH]nc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001139027270 1025792926 /nfs/dbraw/zinc/79/29/26/1025792926.db2.gz SRWWRIOHKJDEHS-IRXDYDNUSA-N 2 1 389.341 3.516 20 0 GHADMP Cc1cc(NC[C@]2(F)CCCC[NH2+]C2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162573189 1025802205 /nfs/dbraw/zinc/80/22/05/1025802205.db2.gz OHIIQELQAGSBFT-QHCPKHFHSA-N 2 1 382.527 3.842 20 0 GHADMP C[N@@H+](Cc1cccc(CN2CCOCC2)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139060398 1025852144 /nfs/dbraw/zinc/85/21/44/1025852144.db2.gz UANCBLHIKIXMBY-UHFFFAOYSA-N 2 1 385.596 3.748 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001139066301 1025862290 /nfs/dbraw/zinc/86/22/90/1025862290.db2.gz BLPQDABNPXBGGP-ISKFKSNPSA-N 2 1 398.522 3.662 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001139066301 1025862300 /nfs/dbraw/zinc/86/23/00/1025862300.db2.gz BLPQDABNPXBGGP-ISKFKSNPSA-N 2 1 398.522 3.662 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(F)cc4)c3)CC[C@@H]2C1 ZINC001139066301 1025862310 /nfs/dbraw/zinc/86/23/10/1025862310.db2.gz BLPQDABNPXBGGP-ISKFKSNPSA-N 2 1 398.522 3.662 20 0 GHADMP COc1ccc2c(c1)c(C[N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)cn2C ZINC001139149753 1025966599 /nfs/dbraw/zinc/96/65/99/1025966599.db2.gz LUWUQSKGBVHIKV-BGYRXZFFSA-N 2 1 375.516 3.751 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)cn2C ZINC001139149753 1025966604 /nfs/dbraw/zinc/96/66/04/1025966604.db2.gz LUWUQSKGBVHIKV-BGYRXZFFSA-N 2 1 375.516 3.751 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)cn2C ZINC001139149753 1025966610 /nfs/dbraw/zinc/96/66/10/1025966610.db2.gz LUWUQSKGBVHIKV-BGYRXZFFSA-N 2 1 375.516 3.751 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)cn2C ZINC001139149753 1025966614 /nfs/dbraw/zinc/96/66/14/1025966614.db2.gz LUWUQSKGBVHIKV-BGYRXZFFSA-N 2 1 375.516 3.751 20 0 GHADMP Cc1nc(Cl)c(C)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162929151 1025969942 /nfs/dbraw/zinc/96/99/42/1025969942.db2.gz MGEOAHNRZHKFGP-IBGZPJMESA-N 2 1 399.970 3.661 20 0 GHADMP CCc1nc(Cl)cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162929650 1025969968 /nfs/dbraw/zinc/96/99/68/1025969968.db2.gz OGMAIZVUQRZTJJ-SFHVURJKSA-N 2 1 399.970 3.606 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3nccc4ccncc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001162927708 1025970321 /nfs/dbraw/zinc/97/03/21/1025970321.db2.gz DANMVPFJLPRQBI-OAQYLSRUSA-N 2 1 387.531 3.544 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cccc(C4COC4)c3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162934463 1025972631 /nfs/dbraw/zinc/97/26/31/1025972631.db2.gz MAHUKTRJPHOBJW-QHCPKHFHSA-N 2 1 391.559 3.714 20 0 GHADMP Fc1cc2nc[nH]c2cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940620 1025977584 /nfs/dbraw/zinc/97/75/84/1025977584.db2.gz ITJXYMUSGMRASP-GOSISDBHSA-N 2 1 393.510 3.616 20 0 GHADMP Fc1cc2[nH]cnc2cc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940620 1025977589 /nfs/dbraw/zinc/97/75/89/1025977589.db2.gz ITJXYMUSGMRASP-GOSISDBHSA-N 2 1 393.510 3.616 20 0 GHADMP Fc1cc2[nH]cnc2cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940620 1025977594 /nfs/dbraw/zinc/97/75/94/1025977594.db2.gz ITJXYMUSGMRASP-GOSISDBHSA-N 2 1 393.510 3.616 20 0 GHADMP Fc1cc2[nH]c[nH+]c2cc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940620 1025977597 /nfs/dbraw/zinc/97/75/97/1025977597.db2.gz ITJXYMUSGMRASP-GOSISDBHSA-N 3 1 393.510 3.616 20 0 GHADMP Fc1cc2[nH]c[nH+]c2cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940620 1025977605 /nfs/dbraw/zinc/97/76/05/1025977605.db2.gz ITJXYMUSGMRASP-GOSISDBHSA-N 3 1 393.510 3.616 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(CC(C)C)nc2)CC1 ZINC001461052474 1069362956 /nfs/dbraw/zinc/36/29/56/1069362956.db2.gz WSCFLGPPMICXMF-UHFFFAOYSA-N 2 1 380.580 3.707 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(OCc4cnc(Cl)s4)cc3)C[C@@H]2C1 ZINC001139305207 1026160172 /nfs/dbraw/zinc/16/01/72/1026160172.db2.gz GRECZIRTMHVCHU-HOTGVXAUSA-N 2 1 377.941 3.759 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4cccc(Cl)c4)CC3)s2)CC1 ZINC001139322533 1026182283 /nfs/dbraw/zinc/18/22/83/1026182283.db2.gz WBZGDWQISTVAKO-UHFFFAOYSA-N 2 1 390.984 3.928 20 0 GHADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001139361372 1026234222 /nfs/dbraw/zinc/23/42/22/1026234222.db2.gz KLVWNXVIGYNQMS-OOZJCBPQSA-N 2 1 399.579 3.554 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001139423345 1026293129 /nfs/dbraw/zinc/29/31/29/1026293129.db2.gz DFYIHBOXNFTUIN-VXKWHMMOSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001139423345 1026293137 /nfs/dbraw/zinc/29/31/37/1026293137.db2.gz DFYIHBOXNFTUIN-VXKWHMMOSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001139423345 1026293150 /nfs/dbraw/zinc/29/31/50/1026293150.db2.gz DFYIHBOXNFTUIN-VXKWHMMOSA-N 2 1 387.531 3.611 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)nc1 ZINC001139494004 1026353413 /nfs/dbraw/zinc/35/34/13/1026353413.db2.gz QVGRCLHLUYOBKG-DZFGPLHGSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4cccs4)[C@H]3C2)nc1 ZINC001139494004 1026353422 /nfs/dbraw/zinc/35/34/22/1026353422.db2.gz QVGRCLHLUYOBKG-DZFGPLHGSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4cccs4)[C@H]3C2)nc1 ZINC001139494004 1026353435 /nfs/dbraw/zinc/35/34/35/1026353435.db2.gz QVGRCLHLUYOBKG-DZFGPLHGSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)nc1 ZINC001139494004 1026353444 /nfs/dbraw/zinc/35/34/44/1026353444.db2.gz QVGRCLHLUYOBKG-DZFGPLHGSA-N 2 1 399.560 3.662 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3CCCCC34COC4)CC2)cc1 ZINC001139513388 1026368423 /nfs/dbraw/zinc/36/84/23/1026368423.db2.gz RGTLARPAOIOGFJ-UHFFFAOYSA-N 2 1 391.559 3.764 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCCCC34COC4)CC2)cc1 ZINC001139513388 1026368429 /nfs/dbraw/zinc/36/84/29/1026368429.db2.gz RGTLARPAOIOGFJ-UHFFFAOYSA-N 2 1 391.559 3.764 20 0 GHADMP C[N@H+](Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)CC1CC[NH+](C)CC1 ZINC001139654184 1026515830 /nfs/dbraw/zinc/51/58/30/1026515830.db2.gz WXDJQBNDXRHELQ-UHFFFAOYSA-N 2 1 393.597 3.815 20 0 GHADMP Cc1nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc([C@H]2CCC[NH2+]C2)n1 ZINC001164483447 1026524362 /nfs/dbraw/zinc/52/43/62/1026524362.db2.gz BJINEWDASNNUMU-LNRXMEIDSA-N 2 1 391.563 3.575 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cnc4c(c3)OCCO4)C[C@@H]21 ZINC001139735321 1026576927 /nfs/dbraw/zinc/57/69/27/1026576927.db2.gz XEWQQSSBNDYNMN-YSIASYRMSA-N 2 1 399.560 3.647 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001139777742 1026608641 /nfs/dbraw/zinc/60/86/41/1026608641.db2.gz ZWPPSCHZLKNATC-UHFFFAOYSA-N 2 1 396.531 3.582 20 0 GHADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2-c2ccc([C@H]3CCCC[N@H+]3CC)cn2)C1 ZINC001165106160 1026609733 /nfs/dbraw/zinc/60/97/33/1026609733.db2.gz REEFMWXOBRJMIO-ZWKOTPCHSA-N 2 1 399.608 3.817 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Cl)ncc2Br)CC1 ZINC001139803095 1026626248 /nfs/dbraw/zinc/62/62/48/1026626248.db2.gz FHDSXZJRYAZGQO-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3ccnc3[C@@H]3CCC[NH2+]C3)c2c1C ZINC001165142548 1026632101 /nfs/dbraw/zinc/63/21/01/1026632101.db2.gz AHJGAWQUDUVXEU-MRXNPFEDSA-N 2 1 396.564 3.557 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1Cl)CC2 ZINC001139848521 1026666385 /nfs/dbraw/zinc/66/63/85/1026666385.db2.gz KAZFXPQITMDCME-QGZVFWFLSA-N 2 1 375.900 3.584 20 0 GHADMP CN(CC[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001203000864 1026867424 /nfs/dbraw/zinc/86/74/24/1026867424.db2.gz MUFCVLYCWVYJSM-UHFFFAOYSA-N 2 1 375.557 3.697 20 0 GHADMP CC(CNc1cc[nH+]c(N2CCC([NH3+])CC2)n1)(c1ccccc1)c1ccccc1 ZINC001166154320 1026930023 /nfs/dbraw/zinc/93/00/23/1026930023.db2.gz WHGLZRZDGBZLHS-UHFFFAOYSA-N 2 1 387.531 3.822 20 0 GHADMP C[N@H+](Cc1nc(Cl)ccc1NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001140191317 1026963911 /nfs/dbraw/zinc/96/39/11/1026963911.db2.gz WWLOQHPSQCBLPY-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(C)cc1O ZINC001140200186 1026973505 /nfs/dbraw/zinc/97/35/05/1026973505.db2.gz RKGYGPIVZAUPGN-UHFFFAOYSA-N 2 1 380.532 3.876 20 0 GHADMP CC[N@H+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167037334 1027212194 /nfs/dbraw/zinc/21/21/94/1027212194.db2.gz BIDFKTAWHMRLGT-XMSQKQJNSA-N 2 1 399.966 3.941 20 0 GHADMP CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167037334 1027212212 /nfs/dbraw/zinc/21/22/12/1027212212.db2.gz BIDFKTAWHMRLGT-XMSQKQJNSA-N 2 1 399.966 3.941 20 0 GHADMP CC[NH+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167037334 1027212230 /nfs/dbraw/zinc/21/22/30/1027212230.db2.gz BIDFKTAWHMRLGT-XMSQKQJNSA-N 2 1 399.966 3.941 20 0 GHADMP CC[NH+](Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167037334 1027212252 /nfs/dbraw/zinc/21/22/52/1027212252.db2.gz BIDFKTAWHMRLGT-XMSQKQJNSA-N 2 1 399.966 3.941 20 0 GHADMP C[C@H]1[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001141775454 1027215342 /nfs/dbraw/zinc/21/53/42/1027215342.db2.gz PGLNPZPMUKTXDY-MBSDFSHPSA-N 2 1 386.499 3.640 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)[C@H]1c1cccs1 ZINC001461234786 1069455433 /nfs/dbraw/zinc/45/54/33/1069455433.db2.gz WXCOVJPCXGWQCH-UZLBHIALSA-N 2 1 385.512 3.641 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)[C@H]1c1cccs1 ZINC001461234786 1069455434 /nfs/dbraw/zinc/45/54/34/1069455434.db2.gz WXCOVJPCXGWQCH-UZLBHIALSA-N 2 1 385.512 3.641 20 0 GHADMP Fc1c(Cl)c(Br)ccc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266157 1027413690 /nfs/dbraw/zinc/41/36/90/1027413690.db2.gz GMBDNRMZAFBGRB-UHFFFAOYSA-N 2 1 385.668 3.790 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC001210494156 1027532107 /nfs/dbraw/zinc/53/21/07/1027532107.db2.gz QKGFEOPPOZBWLH-JOCHJYFZSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC001210494156 1027532116 /nfs/dbraw/zinc/53/21/16/1027532116.db2.gz QKGFEOPPOZBWLH-JOCHJYFZSA-N 2 1 396.535 3.715 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc(OC)c1 ZINC001203856502 1027664223 /nfs/dbraw/zinc/66/42/23/1027664223.db2.gz WDZYVXOGKHLUNG-WUMKDDEVSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc(OC)c1 ZINC001203856502 1027664231 /nfs/dbraw/zinc/66/42/31/1027664231.db2.gz WDZYVXOGKHLUNG-WUMKDDEVSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(OC)c1 ZINC001203856502 1027664243 /nfs/dbraw/zinc/66/42/43/1027664243.db2.gz WDZYVXOGKHLUNG-WUMKDDEVSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(OC)c1 ZINC001203856502 1027664254 /nfs/dbraw/zinc/66/42/54/1027664254.db2.gz WDZYVXOGKHLUNG-WUMKDDEVSA-N 2 1 395.547 3.831 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC001210826112 1027665657 /nfs/dbraw/zinc/66/56/57/1027665657.db2.gz FYLFJJFWMALETC-NRFANRHFSA-N 2 1 388.600 3.707 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001461273733 1069474270 /nfs/dbraw/zinc/47/42/70/1069474270.db2.gz PBGAUHCURHMWDR-LJQANCHMSA-N 2 1 378.520 3.881 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001461273733 1069474271 /nfs/dbraw/zinc/47/42/71/1069474271.db2.gz PBGAUHCURHMWDR-LJQANCHMSA-N 2 1 378.520 3.881 20 0 GHADMP C[C@H](CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001211285873 1027888913 /nfs/dbraw/zinc/88/89/13/1027888913.db2.gz MDRWLJRGQWMFRF-RBUKOAKNSA-N 2 1 380.621 3.649 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204116544 1027889618 /nfs/dbraw/zinc/88/96/18/1027889618.db2.gz QCWUXINVORKMIO-CEWLAPEOSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204116544 1027889626 /nfs/dbraw/zinc/88/96/26/1027889626.db2.gz QCWUXINVORKMIO-CEWLAPEOSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204116544 1027889635 /nfs/dbraw/zinc/88/96/35/1027889635.db2.gz QCWUXINVORKMIO-CEWLAPEOSA-N 2 1 381.520 3.528 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204116544 1027889650 /nfs/dbraw/zinc/88/96/50/1027889650.db2.gz QCWUXINVORKMIO-CEWLAPEOSA-N 2 1 381.520 3.528 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000841309534 1028405669 /nfs/dbraw/zinc/40/56/69/1028405669.db2.gz RSJPXYHPBJOFQZ-QHCPKHFHSA-N 2 1 380.536 3.830 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001461377808 1069525051 /nfs/dbraw/zinc/52/50/51/1069525051.db2.gz FWQPRYDSRIBMAR-HXUWFJFHSA-N 2 1 378.438 3.952 20 0 GHADMP CCN(C(=O)NCc1ccc(CC[NH3+])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000841928596 1029003028 /nfs/dbraw/zinc/00/30/28/1029003028.db2.gz OXAYFBONTOCVGT-WMZHIEFXSA-N 2 1 394.563 3.555 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2c1 ZINC000843125339 1029816382 /nfs/dbraw/zinc/81/63/82/1029816382.db2.gz SOLWUVRVBBNGJT-CHWSQXEVSA-N 2 1 380.355 3.880 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC001461584626 1069623032 /nfs/dbraw/zinc/62/30/32/1069623032.db2.gz JNLYRDUDXLZDFU-ISKFKSNPSA-N 2 1 375.516 3.862 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2ncccc2c1 ZINC001461584626 1069623036 /nfs/dbraw/zinc/62/30/36/1069623036.db2.gz JNLYRDUDXLZDFU-ISKFKSNPSA-N 2 1 375.516 3.862 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc3cccnc3[nH]1)CC2 ZINC001143214018 1029918149 /nfs/dbraw/zinc/91/81/49/1029918149.db2.gz ICOCYWQKHPBVQI-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP COc1cc2c(cc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)oc1ccccc12 ZINC000843348692 1029931045 /nfs/dbraw/zinc/93/10/45/1029931045.db2.gz MKZOHTANYQRLCY-CQSZACIVSA-N 2 1 381.476 3.592 20 0 GHADMP C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001222211100 1030008839 /nfs/dbraw/zinc/00/88/39/1030008839.db2.gz KQVIDJJPZXKALD-XAPVIXHLSA-N 2 1 388.600 3.735 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1c(Br)cccc1Br)CC2 ZINC001222210997 1030008880 /nfs/dbraw/zinc/00/88/80/1030008880.db2.gz COKMNDSKAFIXSQ-UHFFFAOYSA-N 2 1 388.147 3.915 20 0 GHADMP c1cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc([C@@H]2CCC[NH2+]2)c1 ZINC001217070022 1030143189 /nfs/dbraw/zinc/14/31/89/1030143189.db2.gz FTHBQYFVOVFWFN-NRFANRHFSA-N 2 1 390.487 3.660 20 0 GHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3cc(C[NH3+])ccc3C)n2)c1 ZINC001217099769 1030161689 /nfs/dbraw/zinc/16/16/89/1030161689.db2.gz ZCCSFXVBQNDYSJ-UHFFFAOYSA-N 2 1 387.443 3.559 20 0 GHADMP COc1cccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222573732 1030205350 /nfs/dbraw/zinc/20/53/50/1030205350.db2.gz CKVLRKUYLVHJHX-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP c1[nH+]c(CN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n2ccccc12 ZINC001222577388 1030208351 /nfs/dbraw/zinc/20/83/51/1030208351.db2.gz ZKAPEXGEDQFUCZ-JOCHJYFZSA-N 2 1 390.531 3.638 20 0 GHADMP CCn1nc(C)c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222583550 1030210692 /nfs/dbraw/zinc/21/06/92/1030210692.db2.gz PGSNCKRFOCNKAS-QFIPXVFZSA-N 2 1 396.579 3.823 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)CCN3)cc1 ZINC001222591147 1030219088 /nfs/dbraw/zinc/21/90/88/1030219088.db2.gz RNBDOUGYCFPKPE-QHCPKHFHSA-N 2 1 391.559 3.958 20 0 GHADMP CCOC(=O)c1ccc2c(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c[nH]c2c1 ZINC001222614170 1030237827 /nfs/dbraw/zinc/23/78/27/1030237827.db2.gz BFXOABMDUYNDKY-NRFANRHFSA-N 2 1 389.499 3.534 20 0 GHADMP CN(C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150431124 1030527372 /nfs/dbraw/zinc/52/73/72/1030527372.db2.gz JRXKHMCNVFULDY-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150431124 1030527375 /nfs/dbraw/zinc/52/73/75/1030527375.db2.gz JRXKHMCNVFULDY-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP CN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150431124 1030527380 /nfs/dbraw/zinc/52/73/80/1030527380.db2.gz JRXKHMCNVFULDY-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H]1C[N@@H+](CCc2nnc(CCCCCCCCCCC[NH3+])o2)C[C@H](C)O1 ZINC001217728791 1030631619 /nfs/dbraw/zinc/63/16/19/1030631619.db2.gz PTTYUDTZKPSJGU-KDURUIRLSA-N 2 1 380.577 3.733 20 0 GHADMP C[C@@H]1C[N@H+](CCc2nnc(CCCCCCCCCCC[NH3+])o2)C[C@H](C)O1 ZINC001217728791 1030631628 /nfs/dbraw/zinc/63/16/28/1030631628.db2.gz PTTYUDTZKPSJGU-KDURUIRLSA-N 2 1 380.577 3.733 20 0 GHADMP [NH3+][C@H](CCc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1ccccc1 ZINC001217727572 1030632151 /nfs/dbraw/zinc/63/21/51/1030632151.db2.gz ZPGRHCUZNPMRPN-LEWJYISDSA-N 2 1 376.504 3.562 20 0 GHADMP Clc1ccc(C[N@@H+]2CC[C@H](OC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1Cl ZINC001217912712 1030673064 /nfs/dbraw/zinc/67/30/64/1030673064.db2.gz VIEVUTGWTCNJAQ-IRXDYDNUSA-N 2 1 399.362 3.743 20 0 GHADMP Clc1ccc(C[N@H+]2CC[C@H](OC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1Cl ZINC001217912712 1030673069 /nfs/dbraw/zinc/67/30/69/1030673069.db2.gz VIEVUTGWTCNJAQ-IRXDYDNUSA-N 2 1 399.362 3.743 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001217947017 1030680688 /nfs/dbraw/zinc/68/06/88/1030680688.db2.gz QTSZFSHYVYCYNN-VXKWHMMOSA-N 2 1 396.531 3.551 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001217947017 1030680698 /nfs/dbraw/zinc/68/06/98/1030680698.db2.gz QTSZFSHYVYCYNN-VXKWHMMOSA-N 2 1 396.531 3.551 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@@H]3CC[NH2+]CC(=O)C3)c2)CC[N@@H+]1C ZINC001218197683 1030820286 /nfs/dbraw/zinc/82/02/86/1030820286.db2.gz ZKXDFEIDVPKKGX-QPXUXIHVSA-N 2 1 384.564 3.929 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@@H]3CC[NH2+]CC(=O)C3)c2)CC[N@H+]1C ZINC001218197683 1030820303 /nfs/dbraw/zinc/82/03/03/1030820303.db2.gz ZKXDFEIDVPKKGX-QPXUXIHVSA-N 2 1 384.564 3.929 20 0 GHADMP CC(C)C1(C(C)C)OC[C@@H](CCOc2ccccc2C[NH+]2CCC([NH3+])CC2)O1 ZINC001218356685 1030908485 /nfs/dbraw/zinc/90/84/85/1030908485.db2.gz GFURQLOETCHUDQ-OAQYLSRUSA-N 2 1 390.568 3.802 20 0 GHADMP C[C@@H](COc1ccccc1)OCCCOc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218373507 1030912735 /nfs/dbraw/zinc/91/27/35/1030912735.db2.gz YMBHYPHRLZFCJV-FQEVSTJZSA-N 2 1 398.547 3.863 20 0 GHADMP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001218713074 1031044646 /nfs/dbraw/zinc/04/46/46/1031044646.db2.gz QNINFQYWLXXICJ-WBVHZDCISA-N 2 1 388.899 3.603 20 0 GHADMP Cc1ccc2ccccc2c1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218812449 1031089992 /nfs/dbraw/zinc/08/99/92/1031089992.db2.gz UIGIQYHKVUGAEU-JOCHJYFZSA-N 2 1 385.511 3.808 20 0 GHADMP Cc1ccc2ccccc2c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001218812449 1031090010 /nfs/dbraw/zinc/09/00/10/1031090010.db2.gz UIGIQYHKVUGAEU-JOCHJYFZSA-N 2 1 385.511 3.808 20 0 GHADMP C=Cc1ccc(NC(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)cc1 ZINC001218841924 1031108495 /nfs/dbraw/zinc/10/84/95/1031108495.db2.gz PDUSNHHVDNGZMK-ZJSXRUAMSA-N 2 1 375.516 3.770 20 0 GHADMP C[N@@H+]1[C@@H](C(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001218896005 1031136292 /nfs/dbraw/zinc/13/62/92/1031136292.db2.gz YWLGDCSIULYSKI-NHCICSSKSA-N 2 1 393.531 3.706 20 0 GHADMP C[N@H+]1[C@@H](C(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001218896005 1031136298 /nfs/dbraw/zinc/13/62/98/1031136298.db2.gz YWLGDCSIULYSKI-NHCICSSKSA-N 2 1 393.531 3.706 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@H]1C ZINC001225132044 1031272710 /nfs/dbraw/zinc/27/27/10/1031272710.db2.gz ZOTRKWOOEOSKOZ-UXHICEINSA-N 2 1 386.584 3.687 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001219941377 1031708398 /nfs/dbraw/zinc/70/83/98/1031708398.db2.gz WLSHLGAIDCYGFT-XWGVYQGASA-N 2 1 391.559 3.551 20 0 GHADMP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001220162121 1031809585 /nfs/dbraw/zinc/80/95/85/1031809585.db2.gz HRNGPYPHBYTGKK-DWLFOUALSA-N 2 1 389.971 3.591 20 0 GHADMP C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001220252172 1031861657 /nfs/dbraw/zinc/86/16/57/1031861657.db2.gz QIIYDBNMNULYNT-WDJPJFJCSA-N 2 1 393.575 3.850 20 0 GHADMP COc1ccc(F)c(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c1 ZINC001461822604 1069772375 /nfs/dbraw/zinc/77/23/75/1069772375.db2.gz NKIYBSCKSPDJKP-UHFFFAOYSA-N 2 1 380.467 3.746 20 0 GHADMP CC[N@@H+](CCCC(=O)NC[C@H]([NH3+])c1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001220499989 1031965766 /nfs/dbraw/zinc/96/57/66/1031965766.db2.gz GDTSKGLYQSXCRA-XXBNENTESA-N 2 1 397.563 3.545 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1C[NH3+] ZINC001205303296 1033350496 /nfs/dbraw/zinc/35/04/96/1033350496.db2.gz CIIDSSAYLZBEHL-GXTWGEPZSA-N 2 1 380.355 3.989 20 0 GHADMP c1ccc(C[N@H+]2CCc3c(ccnc3-c3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001205378012 1033383732 /nfs/dbraw/zinc/38/37/32/1033383732.db2.gz GNSLPTNTWGZRDE-UHFFFAOYSA-N 2 1 384.527 3.717 20 0 GHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001205405254 1033396320 /nfs/dbraw/zinc/39/63/20/1033396320.db2.gz GIEMSYQQKDWHHW-LPHOPBHVSA-N 2 1 383.374 3.861 20 0 GHADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001205405254 1033396326 /nfs/dbraw/zinc/39/63/26/1033396326.db2.gz GIEMSYQQKDWHHW-LPHOPBHVSA-N 2 1 383.374 3.861 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c(Br)cccc2Br)CC1 ZINC001205560065 1033470516 /nfs/dbraw/zinc/47/05/16/1033470516.db2.gz YUCVEKNJPXMSIP-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(Br)cccc2Br)CC1 ZINC001205560065 1033470523 /nfs/dbraw/zinc/47/05/23/1033470523.db2.gz YUCVEKNJPXMSIP-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC1 ZINC001205592716 1033483955 /nfs/dbraw/zinc/48/39/55/1033483955.db2.gz XITMMHXZEDNFBP-QFIPXVFZSA-N 2 1 386.467 3.647 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001229453703 1033489013 /nfs/dbraw/zinc/48/90/13/1033489013.db2.gz GGAPEMJBHGEPBU-XSDIEEQYSA-N 2 1 388.600 3.800 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001229453703 1033489020 /nfs/dbraw/zinc/48/90/20/1033489020.db2.gz GGAPEMJBHGEPBU-XSDIEEQYSA-N 2 1 388.600 3.800 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001229453703 1033489026 /nfs/dbraw/zinc/48/90/26/1033489026.db2.gz GGAPEMJBHGEPBU-XSDIEEQYSA-N 2 1 388.600 3.800 20 0 GHADMP Cc1ccc(F)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001205648415 1033509564 /nfs/dbraw/zinc/50/95/64/1033509564.db2.gz ROPYQCJUGLPHPO-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP C[NH+](C)CCOc1ccc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc1 ZINC001205811986 1033585380 /nfs/dbraw/zinc/58/53/80/1033585380.db2.gz VTEWXKIRJVMFPS-UHFFFAOYSA-N 2 1 381.520 3.692 20 0 GHADMP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001205902277 1033628032 /nfs/dbraw/zinc/62/80/32/1033628032.db2.gz JMDOEIYYWQOYGX-GMAHTHKFSA-N 3 1 392.591 3.568 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(C)c1I ZINC001206036602 1033696875 /nfs/dbraw/zinc/69/68/75/1033696875.db2.gz LWBFGUKJMJFUEC-GOEBONIOSA-N 2 1 386.321 3.715 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC001158033569 1033873541 /nfs/dbraw/zinc/87/35/41/1033873541.db2.gz FNYSLNSSMYKDQQ-INIZCTEOSA-N 2 1 393.959 3.872 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2c(Br)cccc2Br)CC1 ZINC001206500969 1033875340 /nfs/dbraw/zinc/87/53/40/1033875340.db2.gz XOYYCQHTRAQGHT-UHFFFAOYSA-N 2 1 376.136 3.772 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(I)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC001206598827 1033919611 /nfs/dbraw/zinc/91/96/11/1033919611.db2.gz MWHPUVDWWVREJU-AWEZNQCLSA-N 2 1 390.284 3.783 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H](C)[NH2+][C@H](C)C4)c23)C1 ZINC001158184750 1033955868 /nfs/dbraw/zinc/95/58/68/1033955868.db2.gz IDNHXKCJOBHBJI-BZUAXINKSA-N 2 1 399.608 3.599 20 0 GHADMP CCN(c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3)[C@@H]1CCC[NH2+]C1 ZINC001158206058 1033962814 /nfs/dbraw/zinc/96/28/14/1033962814.db2.gz ZPKHNMGTFOXAPL-MRXNPFEDSA-N 2 1 399.608 3.744 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001206756509 1033971229 /nfs/dbraw/zinc/97/12/29/1033971229.db2.gz QXZBIHSLPCIMSY-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP COc1cc(C)ccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001206756604 1033971254 /nfs/dbraw/zinc/97/12/54/1033971254.db2.gz UYFKNPLBAMTUEM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)ccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001206756604 1033971257 /nfs/dbraw/zinc/97/12/57/1033971257.db2.gz UYFKNPLBAMTUEM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001206756604 1033971261 /nfs/dbraw/zinc/97/12/61/1033971261.db2.gz UYFKNPLBAMTUEM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001206756604 1033971267 /nfs/dbraw/zinc/97/12/67/1033971267.db2.gz UYFKNPLBAMTUEM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)cs1 ZINC001206798169 1033987108 /nfs/dbraw/zinc/98/71/08/1033987108.db2.gz KWFJSOCCZUNXSL-QGZVFWFLSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1nc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)cs1 ZINC001206798169 1033987114 /nfs/dbraw/zinc/98/71/14/1033987114.db2.gz KWFJSOCCZUNXSL-QGZVFWFLSA-N 2 1 377.579 3.769 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1[nH+]cc3ccccn31)CC2 ZINC001207050182 1034070017 /nfs/dbraw/zinc/07/00/17/1034070017.db2.gz LUBHAOUHEMDZTC-UHFFFAOYSA-N 2 1 379.508 3.570 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1[nH+]cc3ccccn31)CC2 ZINC001207050182 1034070031 /nfs/dbraw/zinc/07/00/31/1034070031.db2.gz LUBHAOUHEMDZTC-UHFFFAOYSA-N 2 1 379.508 3.570 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)nc1 ZINC001158589156 1034181100 /nfs/dbraw/zinc/18/11/00/1034181100.db2.gz MGYKSANCZVRDJD-HSZRJFAPSA-N 3 1 399.627 3.671 20 0 GHADMP c1ccc(COCC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001207233831 1034199133 /nfs/dbraw/zinc/19/91/33/1034199133.db2.gz NEPZGNSNAANATE-DQEYMECFSA-N 2 1 398.591 3.664 20 0 GHADMP c1ccc(COCC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001207233831 1034199141 /nfs/dbraw/zinc/19/91/41/1034199141.db2.gz NEPZGNSNAANATE-DQEYMECFSA-N 2 1 398.591 3.664 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccc(Br)cc3)C2)C1 ZINC001207379541 1034324682 /nfs/dbraw/zinc/32/46/82/1034324682.db2.gz ATKZULYFCOPDBJ-HXUWFJFHSA-N 2 1 395.385 3.814 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CCc3ccc(Br)cc3)C2)C1 ZINC001207379541 1034324698 /nfs/dbraw/zinc/32/46/98/1034324698.db2.gz ATKZULYFCOPDBJ-HXUWFJFHSA-N 2 1 395.385 3.814 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CCc3ccc(Br)cc3)C2)C1 ZINC001207379541 1034324710 /nfs/dbraw/zinc/32/47/10/1034324710.db2.gz ATKZULYFCOPDBJ-HXUWFJFHSA-N 2 1 395.385 3.814 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CCc3ccc(Br)cc3)C2)C1 ZINC001207379541 1034324724 /nfs/dbraw/zinc/32/47/24/1034324724.db2.gz ATKZULYFCOPDBJ-HXUWFJFHSA-N 2 1 395.385 3.814 20 0 GHADMP C[NH+]1CCC(C[N@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001207393526 1034338499 /nfs/dbraw/zinc/33/84/99/1034338499.db2.gz BQYITULCZHNZEN-NRFANRHFSA-N 2 1 399.579 3.665 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+](CC3CC[NH+](C)CC3)C2)c1-c1ccccc1 ZINC001207401517 1034341657 /nfs/dbraw/zinc/34/16/57/1034341657.db2.gz GKCIGFYXPSQROB-LJQANCHMSA-N 2 1 398.576 3.900 20 0 GHADMP COc1ccccc1CC[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001207453548 1034376096 /nfs/dbraw/zinc/37/60/96/1034376096.db2.gz YCNGOTBOJPMIKG-UHFFFAOYSA-N 2 1 386.561 3.666 20 0 GHADMP COc1ccccc1CC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001207453548 1034376112 /nfs/dbraw/zinc/37/61/12/1034376112.db2.gz YCNGOTBOJPMIKG-UHFFFAOYSA-N 2 1 386.561 3.666 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1O ZINC001231419783 1034570519 /nfs/dbraw/zinc/57/05/19/1034570519.db2.gz RVGZHRSFOQDODB-UHFFFAOYSA-N 2 1 394.515 3.667 20 0 GHADMP CC[N@H+](C)C1CC[NH+](C[C@@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207825903 1034603354 /nfs/dbraw/zinc/60/33/54/1034603354.db2.gz DBNKIUNUOUMUFL-DOTOQJQBSA-N 2 1 389.531 3.541 20 0 GHADMP CC[N@@H+](C)C1CC[NH+](C[C@@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207825903 1034603361 /nfs/dbraw/zinc/60/33/61/1034603361.db2.gz DBNKIUNUOUMUFL-DOTOQJQBSA-N 2 1 389.531 3.541 20 0 GHADMP c1cn(Cc2nnn3c2C[N@@H+](Cc2cccc(-c4ccccc4)c2)CCC3)cn1 ZINC001231508439 1034654144 /nfs/dbraw/zinc/65/41/44/1034654144.db2.gz KLKRXPPMOZBKCA-UHFFFAOYSA-N 2 1 384.487 3.596 20 0 GHADMP CC(C)c1ccc(C[C@@H](C)C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)cc1 ZINC001207939058 1034667947 /nfs/dbraw/zinc/66/79/47/1034667947.db2.gz DOUNHGZRKCVNMT-LJQANCHMSA-N 2 1 396.579 3.513 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CC[C@H](C)SC)CC3)C2)c1 ZINC001208143047 1034754004 /nfs/dbraw/zinc/75/40/04/1034754004.db2.gz JQMOBUDWMVAJPJ-SFHVURJKSA-N 2 1 378.582 3.504 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CC[C@H](C)SC)CC3)C2)c1 ZINC001208143047 1034754012 /nfs/dbraw/zinc/75/40/12/1034754012.db2.gz JQMOBUDWMVAJPJ-SFHVURJKSA-N 2 1 378.582 3.504 20 0 GHADMP COCCCOc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1OC ZINC001231611590 1034766622 /nfs/dbraw/zinc/76/66/22/1034766622.db2.gz FJTOGBCQIYOFJH-UHFFFAOYSA-N 2 1 378.557 3.663 20 0 GHADMP CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CC1 ZINC001208171638 1034771517 /nfs/dbraw/zinc/77/15/17/1034771517.db2.gz VERKIRCLJMGRAM-ISBMVONUSA-N 2 1 390.612 3.959 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(NCc3cccc(OCC4CCCCC4)c3)n2)CC1 ZINC001160087291 1034853678 /nfs/dbraw/zinc/85/36/78/1034853678.db2.gz OIRFBMTVBBZAKU-UHFFFAOYSA-N 2 1 395.551 3.975 20 0 GHADMP Fc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1N1CC[NH2+]CC1 ZINC001160114115 1034866943 /nfs/dbraw/zinc/86/69/43/1034866943.db2.gz KOQRNLBWKKSWQE-RTWAWAEBSA-N 2 1 392.522 3.968 20 0 GHADMP CC(C)CN1Cc2ccccc2CC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001208614119 1034955524 /nfs/dbraw/zinc/95/55/24/1034955524.db2.gz RQNVXCBJGKDSMJ-OAQYLSRUSA-N 2 1 397.607 3.651 20 0 GHADMP C[N@H+](Cc1ccccc1Nc1ccncc1C[NH3+])C[C@H](O)c1ccc(Cl)cc1 ZINC001160389523 1034964221 /nfs/dbraw/zinc/96/42/21/1034964221.db2.gz UIUMTKQICFWAQN-QFIPXVFZSA-N 2 1 396.922 3.525 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@H]4COC5(CCCCC5)O4)CC[C@H]3C2)cc1 ZINC001208648697 1034967212 /nfs/dbraw/zinc/96/72/12/1034967212.db2.gz QPXLBGXYQDILFH-ZRBLBEILSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4COC5(CCCCC5)O4)CC[C@H]3C2)cc1 ZINC001208648697 1034967214 /nfs/dbraw/zinc/96/72/14/1034967214.db2.gz QPXLBGXYQDILFH-ZRBLBEILSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4COC5(CCCCC5)O4)CC[C@H]3C2)cc1 ZINC001208648697 1034967215 /nfs/dbraw/zinc/96/72/15/1034967215.db2.gz QPXLBGXYQDILFH-ZRBLBEILSA-N 2 1 384.564 3.906 20 0 GHADMP CC/C=C\CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001208727867 1034991178 /nfs/dbraw/zinc/99/11/78/1034991178.db2.gz SXWHDZXVAXECAA-TXRVJCEASA-N 2 1 383.580 3.988 20 0 GHADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001208727867 1034991182 /nfs/dbraw/zinc/99/11/82/1034991182.db2.gz SXWHDZXVAXECAA-TXRVJCEASA-N 2 1 383.580 3.988 20 0 GHADMP CC/C=C\CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001208727867 1034991184 /nfs/dbraw/zinc/99/11/84/1034991184.db2.gz SXWHDZXVAXECAA-TXRVJCEASA-N 2 1 383.580 3.988 20 0 GHADMP [NH3+]C[C@]1(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C[NH+]2CCC1CC2 ZINC001160521258 1034994037 /nfs/dbraw/zinc/99/40/37/1034994037.db2.gz XGWKBCAYLJOWMU-QFIPXVFZSA-N 2 1 393.922 3.785 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(F)c(C)c4)CC3)C2)cc1 ZINC001231929360 1034995461 /nfs/dbraw/zinc/99/54/61/1034995461.db2.gz WZQQBPNPMYFBCD-UHFFFAOYSA-N 2 1 383.511 3.705 20 0 GHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001160546176 1034999421 /nfs/dbraw/zinc/99/94/21/1034999421.db2.gz JNLZEGUKXPADHX-JTHBVZDNSA-N 2 1 395.547 3.515 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1OC ZINC001208755662 1035001493 /nfs/dbraw/zinc/00/14/93/1035001493.db2.gz HCOCVLQSUSAXBG-UHFFFAOYSA-N 2 1 395.547 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC001231971751 1035016458 /nfs/dbraw/zinc/01/64/58/1035016458.db2.gz SDOMPNNKSACYHD-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC001231971751 1035016465 /nfs/dbraw/zinc/01/64/65/1035016465.db2.gz SDOMPNNKSACYHD-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC001231971751 1035016471 /nfs/dbraw/zinc/01/64/71/1035016471.db2.gz SDOMPNNKSACYHD-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4c[nH]nc43)C[C@H]21 ZINC001231971751 1035016480 /nfs/dbraw/zinc/01/64/80/1035016480.db2.gz SDOMPNNKSACYHD-STZQEDGTSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc(C)n1 ZINC001231999045 1035033836 /nfs/dbraw/zinc/03/38/36/1035033836.db2.gz OWUAYMYALLZJOA-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc(C)n1 ZINC001231999045 1035033838 /nfs/dbraw/zinc/03/38/38/1035033838.db2.gz OWUAYMYALLZJOA-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc(C)n1 ZINC001231999045 1035033845 /nfs/dbraw/zinc/03/38/45/1035033845.db2.gz OWUAYMYALLZJOA-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc(C)n1 ZINC001231999045 1035033852 /nfs/dbraw/zinc/03/38/52/1035033852.db2.gz OWUAYMYALLZJOA-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001160737976 1035049910 /nfs/dbraw/zinc/04/99/10/1035049910.db2.gz APWADAPUJDGFHD-VXKWHMMOSA-N 2 1 375.601 3.944 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001160737976 1035049918 /nfs/dbraw/zinc/04/99/18/1035049918.db2.gz APWADAPUJDGFHD-VXKWHMMOSA-N 2 1 375.601 3.944 20 0 GHADMP CCC(C)(C)c1ccc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cc1 ZINC001232079768 1035081449 /nfs/dbraw/zinc/08/14/49/1035081449.db2.gz YXOGBBGVXHWJPO-UHFFFAOYSA-N 2 1 395.591 3.698 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232081733 1035083129 /nfs/dbraw/zinc/08/31/29/1035083129.db2.gz FTEXNKIRGYAHQS-QHCPKHFHSA-N 2 1 379.548 3.954 20 0 GHADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(C(F)(F)F)n1 ZINC001232085872 1035086806 /nfs/dbraw/zinc/08/68/06/1035086806.db2.gz CAUOKGBGFBWWTK-UHFFFAOYSA-N 2 1 382.430 3.520 20 0 GHADMP c1c2ccncc2[nH]c1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001232094330 1035091456 /nfs/dbraw/zinc/09/14/56/1035091456.db2.gz BNEDAUGRLXFZHB-QPPBQGQZSA-N 2 1 394.563 3.523 20 0 GHADMP Brc1ccc2nc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)ccc2c1 ZINC001232099650 1035095385 /nfs/dbraw/zinc/09/53/85/1035095385.db2.gz BAQJXKWASSYIOY-UHFFFAOYSA-N 2 1 383.293 3.715 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208931550 1035095760 /nfs/dbraw/zinc/09/57/60/1035095760.db2.gz AGEIBQNRSKJHIW-HXUWFJFHSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)C[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208931550 1035095767 /nfs/dbraw/zinc/09/57/67/1035095767.db2.gz AGEIBQNRSKJHIW-HXUWFJFHSA-N 2 1 399.579 3.888 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208934653 1035099485 /nfs/dbraw/zinc/09/94/85/1035099485.db2.gz IBPIFZUSZDQHJK-KMDXXIMOSA-N 2 1 386.580 3.806 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208934653 1035099489 /nfs/dbraw/zinc/09/94/89/1035099489.db2.gz IBPIFZUSZDQHJK-KMDXXIMOSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CC[NH+](Cc2ccccc2)C1 ZINC001461937897 1069903213 /nfs/dbraw/zinc/90/32/13/1069903213.db2.gz HBTBLMXGFMWKQW-URXFXBBRSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@H]2C(=O)NC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001461937897 1069903215 /nfs/dbraw/zinc/90/32/15/1069903215.db2.gz HBTBLMXGFMWKQW-URXFXBBRSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@H]2C(=O)NC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461937897 1069903219 /nfs/dbraw/zinc/90/32/19/1069903219.db2.gz HBTBLMXGFMWKQW-URXFXBBRSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208940542 1035110003 /nfs/dbraw/zinc/11/00/03/1035110003.db2.gz DKAUHBGUNYZJIF-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208940542 1035110004 /nfs/dbraw/zinc/11/00/04/1035110004.db2.gz DKAUHBGUNYZJIF-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208940542 1035110009 /nfs/dbraw/zinc/11/00/09/1035110009.db2.gz DKAUHBGUNYZJIF-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208946967 1035116759 /nfs/dbraw/zinc/11/67/59/1035116759.db2.gz SGNZWBPKZBYGPP-JIMJEQGWSA-N 2 1 389.587 3.881 20 0 GHADMP O=C(NC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC001208957553 1035129273 /nfs/dbraw/zinc/12/92/73/1035129273.db2.gz LOASXUOTRADGGK-HXUWFJFHSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(Nc1ccccc1)NC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208958798 1035131748 /nfs/dbraw/zinc/13/17/48/1035131748.db2.gz QNXQHCFKQSZJIV-OAQYLSRUSA-N 2 1 392.547 3.795 20 0 GHADMP Brc1cccnc1C[NH+]1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001232166104 1035140716 /nfs/dbraw/zinc/14/07/16/1035140716.db2.gz ZSYFYPSOWUWHHF-UHFFFAOYSA-N 2 1 386.337 3.942 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001209004700 1035146045 /nfs/dbraw/zinc/14/60/45/1035146045.db2.gz QHVVUSDTYBNXJT-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001209004700 1035146047 /nfs/dbraw/zinc/14/60/47/1035146047.db2.gz QHVVUSDTYBNXJT-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001209004700 1035146048 /nfs/dbraw/zinc/14/60/48/1035146048.db2.gz QHVVUSDTYBNXJT-CQOQZXRMSA-N 2 1 384.564 3.954 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC001161150312 1035158969 /nfs/dbraw/zinc/15/89/69/1035158969.db2.gz MLBOLUVJWZWLJQ-UHFFFAOYSA-N 2 1 388.600 3.976 20 0 GHADMP c1ccc(C[NH+]2CCc3c(ncnc3N[C@H]3CC[N@@H+](CC4CCCC4)C3)C2)cc1 ZINC001161186825 1035170282 /nfs/dbraw/zinc/17/02/82/1035170282.db2.gz UUZBGOQJUMETCQ-NRFANRHFSA-N 2 1 391.563 3.711 20 0 GHADMP c1ccc(C[NH+]2CCc3c(ncnc3N[C@H]3CC[N@H+](CC4CCCC4)C3)C2)cc1 ZINC001161186825 1035170289 /nfs/dbraw/zinc/17/02/89/1035170289.db2.gz UUZBGOQJUMETCQ-NRFANRHFSA-N 2 1 391.563 3.711 20 0 GHADMP c1ccc(C[N@H+]2CCc3c(ncnc3N[C@H]3CC[NH+](CC4CCCC4)C3)C2)cc1 ZINC001161186825 1035170293 /nfs/dbraw/zinc/17/02/93/1035170293.db2.gz UUZBGOQJUMETCQ-NRFANRHFSA-N 2 1 391.563 3.711 20 0 GHADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N[C@H]3CC[NH+](CC4CCCC4)C3)C2)cc1 ZINC001161186825 1035170300 /nfs/dbraw/zinc/17/03/00/1035170300.db2.gz UUZBGOQJUMETCQ-NRFANRHFSA-N 2 1 391.563 3.711 20 0 GHADMP CC(C)(C)CCCCCC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196534 1035176522 /nfs/dbraw/zinc/17/65/22/1035176522.db2.gz LIWGQOCWTAMDJA-UHFFFAOYSA-N 2 1 395.632 3.534 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3cccn3Cc3ccccc3)C2)C1 ZINC001232235719 1035176552 /nfs/dbraw/zinc/17/65/52/1035176552.db2.gz NWIRUUTYTAYPOX-DEOSSOPVSA-N 2 1 381.564 3.859 20 0 GHADMP FC(F)(F)c1cccc(CC[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC001209116184 1035180466 /nfs/dbraw/zinc/18/04/66/1035180466.db2.gz IUOKVOIIYSUOBH-HDICACEKSA-N 2 1 375.438 3.707 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N(CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001161261527 1035195996 /nfs/dbraw/zinc/19/59/96/1035195996.db2.gz FITOSGCPXVZMCI-OAQYLSRUSA-N 2 1 385.596 3.834 20 0 GHADMP CCN(C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161331397 1035210017 /nfs/dbraw/zinc/21/00/17/1035210017.db2.gz XCGNDHICWNJOLQ-QGZVFWFLSA-N 2 1 398.378 3.806 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1F ZINC001161399237 1035222743 /nfs/dbraw/zinc/22/27/43/1035222743.db2.gz ALSIFBIGGZFQMA-OAQYLSRUSA-N 2 1 399.510 3.759 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1F ZINC001161399237 1035222747 /nfs/dbraw/zinc/22/27/47/1035222747.db2.gz ALSIFBIGGZFQMA-OAQYLSRUSA-N 2 1 399.510 3.759 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCCOCc1ccccc1)C2 ZINC001209254945 1035223442 /nfs/dbraw/zinc/22/34/42/1035223442.db2.gz VFOKUKDYHCHIDN-RPWUZVMVSA-N 2 1 386.580 3.664 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)C[C@H](C)O1 ZINC001209381073 1035263521 /nfs/dbraw/zinc/26/35/21/1035263521.db2.gz ODGRHBSDDACIKI-REPLKXPHSA-N 2 1 378.582 3.619 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(CCC[NH+]1CCCCC1)C2 ZINC001209450909 1035276914 /nfs/dbraw/zinc/27/69/14/1035276914.db2.gz RXWNVKUHJGDFGA-UHFFFAOYSA-N 2 1 382.552 3.541 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(CCC[NH+]1CCCCC1)C2 ZINC001209450909 1035276918 /nfs/dbraw/zinc/27/69/18/1035276918.db2.gz RXWNVKUHJGDFGA-UHFFFAOYSA-N 2 1 382.552 3.541 20 0 GHADMP O=C(c1cccs1)N1CCC2(CC1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451926 1035277824 /nfs/dbraw/zinc/27/78/24/1035277824.db2.gz WWCQYGLMGHTWAV-UHFFFAOYSA-N 2 1 389.609 3.942 20 0 GHADMP Cc1cc(Cl)ncc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001209628164 1035336613 /nfs/dbraw/zinc/33/66/13/1035336613.db2.gz BLFXJRPLOKELAH-SFHVURJKSA-N 2 1 389.927 3.892 20 0 GHADMP C[NH+]1CCC(n2cc(-c3nccc4c3CC[N@@H+](Cc3ccccc3)C4)cn2)CC1 ZINC001242725665 1035948707 /nfs/dbraw/zinc/94/87/07/1035948707.db2.gz GEQLWEONIIJTCB-UHFFFAOYSA-N 2 1 387.531 3.770 20 0 GHADMP Fc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001278353002 1035964999 /nfs/dbraw/zinc/96/49/99/1035964999.db2.gz ONOGCHPIMQHSKL-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001278353002 1035965003 /nfs/dbraw/zinc/96/50/03/1035965003.db2.gz ONOGCHPIMQHSKL-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001278353002 1035965009 /nfs/dbraw/zinc/96/50/09/1035965009.db2.gz ONOGCHPIMQHSKL-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001246029624 1037146020 /nfs/dbraw/zinc/14/60/20/1037146020.db2.gz RGHKOHCECJPTRX-XQBPLPMBSA-N 2 1 378.988 3.981 20 0 GHADMP CSCCC[N@H+]1CCC[C@]2(CCN(Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426415 1037149546 /nfs/dbraw/zinc/14/95/46/1037149546.db2.gz NHKBPDXYHNQRCL-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP CSCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426415 1037149601 /nfs/dbraw/zinc/14/96/01/1037149601.db2.gz NHKBPDXYHNQRCL-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP CSCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426415 1037149622 /nfs/dbraw/zinc/14/96/22/1037149622.db2.gz NHKBPDXYHNQRCL-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP CSCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426415 1037149642 /nfs/dbraw/zinc/14/96/42/1037149642.db2.gz NHKBPDXYHNQRCL-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP CSCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001278426415 1037149658 /nfs/dbraw/zinc/14/96/58/1037149658.db2.gz NHKBPDXYHNQRCL-NRFANRHFSA-N 2 1 375.582 3.686 20 0 GHADMP COc1ccc(C[N@H+](Cc2cccc3ccccc32)C[C@]2(O)CC[NH2+]C2)cc1 ZINC001246048201 1037160325 /nfs/dbraw/zinc/16/03/25/1037160325.db2.gz YJKVJCWUJRSLAJ-DEOSSOPVSA-N 2 1 376.500 3.575 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc3ccccc32)C[C@]2(O)CC[NH2+]C2)cc1 ZINC001246048201 1037160336 /nfs/dbraw/zinc/16/03/36/1037160336.db2.gz YJKVJCWUJRSLAJ-DEOSSOPVSA-N 2 1 376.500 3.575 20 0 GHADMP CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246052323 1037164842 /nfs/dbraw/zinc/16/48/42/1037164842.db2.gz LXFVLYQXAMXAMD-CCDWMCETSA-N 2 1 392.543 3.515 20 0 GHADMP CC(C)[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001246052325 1037165579 /nfs/dbraw/zinc/16/55/79/1037165579.db2.gz LXFVLYQXAMXAMD-ISJGIBHGSA-N 2 1 392.543 3.515 20 0 GHADMP O[C@H](C[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246056289 1037171463 /nfs/dbraw/zinc/17/14/63/1037171463.db2.gz SPTFGZSRBOOZKW-HXUWFJFHSA-N 2 1 382.401 3.531 20 0 GHADMP O[C@H](C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246056289 1037171467 /nfs/dbraw/zinc/17/14/67/1037171467.db2.gz SPTFGZSRBOOZKW-HXUWFJFHSA-N 2 1 382.401 3.531 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H]([NH2+]CC3CC[NH+](Cc4ccccc4)CC3)CCN2)cc1 ZINC001246170584 1037223266 /nfs/dbraw/zinc/22/32/66/1037223266.db2.gz MCXVZIHROMHXCV-LOSJGSFVSA-N 2 1 377.576 3.852 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+]C[C@@]1(C)CC[NH2+]CC1(F)F ZINC001246223362 1037245434 /nfs/dbraw/zinc/24/54/34/1037245434.db2.gz VNEGVNRXRSZSDA-XJKSGUPXSA-N 2 1 375.301 3.995 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CC[NH2+]1 ZINC001246271094 1037266969 /nfs/dbraw/zinc/26/69/69/1037266969.db2.gz DXRVGVJVKLYPCB-ZLNRFVROSA-N 2 1 385.596 3.947 20 0 GHADMP CC[C@@H]1CC([NH2+][C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)C[C@@H](CC)[NH2+]1 ZINC001246275470 1037271748 /nfs/dbraw/zinc/27/17/48/1037271748.db2.gz UVSQNYBCZUFBAD-VIZSFHNOSA-N 2 1 385.596 3.945 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246283641 1037275094 /nfs/dbraw/zinc/27/50/94/1037275094.db2.gz WRVWHFUDFNUURK-XFKSJGNHSA-N 2 1 382.589 3.754 20 0 GHADMP COc1cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc2ccccc21 ZINC001246289610 1037279740 /nfs/dbraw/zinc/27/97/40/1037279740.db2.gz QAJYATCYUIVGAQ-MDKPJZGXSA-N 2 1 383.536 3.932 20 0 GHADMP Clc1ccc(C2(C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC[NH2+]CC2)cc1 ZINC001246344122 1037305405 /nfs/dbraw/zinc/30/54/05/1037305405.db2.gz XCTAMMAONODIMF-HXUWFJFHSA-N 3 1 375.988 3.958 20 0 GHADMP Clc1ccc(C2(C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]CC2)cc1 ZINC001246344122 1037305424 /nfs/dbraw/zinc/30/54/24/1037305424.db2.gz XCTAMMAONODIMF-HXUWFJFHSA-N 3 1 375.988 3.958 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+]C3C[C@H](C)[NH2+][C@@H](C)C3)ccc12 ZINC001246353917 1037311767 /nfs/dbraw/zinc/31/17/67/1037311767.db2.gz WLMVTVPMRFDBSW-FTRWYGJKSA-N 2 1 399.535 3.573 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3F)C2)CC[NH2+]1 ZINC001246362448 1037322826 /nfs/dbraw/zinc/32/28/26/1037322826.db2.gz SSAYPZQHAASCJW-MZKRTTBSSA-N 2 1 385.502 3.930 20 0 GHADMP [NH3+]C/C=C/C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246364900 1037323997 /nfs/dbraw/zinc/32/39/97/1037323997.db2.gz VEVHRXANFKZRMU-QMWLYMBLSA-N 3 1 375.560 3.856 20 0 GHADMP C[C@@H]1CC([NH2+]CC2CCN(Cc3ccccc3Br)CC2)C[C@@H](C)[NH2+]1 ZINC001246363670 1037325214 /nfs/dbraw/zinc/32/52/14/1037325214.db2.gz FUDPHGFPHDNGQD-HZPDHXFCSA-N 2 1 394.401 3.780 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1F ZINC001246376785 1037332698 /nfs/dbraw/zinc/33/26/98/1037332698.db2.gz XXQGGZNXDOXJEK-GHTZIAJQSA-N 2 1 390.474 3.881 20 0 GHADMP COc1ccc(C2(N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246381476 1037341602 /nfs/dbraw/zinc/34/16/02/1037341602.db2.gz RZTSTANZZZDJSM-NFBKMPQASA-N 2 1 393.575 3.917 20 0 GHADMP Fc1ccc(CC2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC[NH2+]CC2)cc1 ZINC001246383957 1037344822 /nfs/dbraw/zinc/34/48/22/1037344822.db2.gz KLHBKULKSIHWGU-UHFFFAOYSA-N 3 1 395.566 3.992 20 0 GHADMP COc1ccc(CC2(C[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246389661 1037350738 /nfs/dbraw/zinc/35/07/38/1037350738.db2.gz QJOJTCUNFFYLIV-LADGPHEKSA-N 3 1 393.575 3.690 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(Br)c3)CCOCC2)C[NH2+]1 ZINC001246402479 1037360238 /nfs/dbraw/zinc/36/02/38/1037360238.db2.gz AVJJEEIGBVDTKO-MAUKXSAKSA-N 2 1 381.358 3.519 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccn3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246420501 1037377348 /nfs/dbraw/zinc/37/73/48/1037377348.db2.gz IRUDVRLOLKWSRB-REWPJTCUSA-N 3 1 396.554 3.524 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246453524 1037414591 /nfs/dbraw/zinc/41/45/91/1037414591.db2.gz WQDYEYFXSVJAGC-JKSUJKDBSA-N 2 1 398.469 3.996 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+][C@H]2CC[NH2+]C(C)(C)C2)C(C)C)cc2ccccc21 ZINC001246485129 1037432631 /nfs/dbraw/zinc/43/26/31/1037432631.db2.gz YDOMVIGRWBBZCR-UWJYYQICSA-N 2 1 383.536 3.932 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CSc2ccccc2C1)C(=O)OCc1ccccc1 ZINC001246493160 1037438707 /nfs/dbraw/zinc/43/87/07/1037438707.db2.gz HZCZIMDFIFVDNF-VQTJNVASSA-N 2 1 384.545 3.534 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)C[C@H](CC)[NH2+]1 ZINC001246496120 1037442006 /nfs/dbraw/zinc/44/20/06/1037442006.db2.gz CRVNXTIMYCXZAP-MLHJIOFPSA-N 2 1 397.357 3.952 20 0 GHADMP Brc1ccc(C2CCC([N@H+]3CCNC4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246595297 1037496744 /nfs/dbraw/zinc/49/67/44/1037496744.db2.gz LXZLAEHHUNAJGK-UHFFFAOYSA-N 2 1 392.385 3.503 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H](C[NH3+])CC[C@H]2C)CC1 ZINC001246595516 1037496897 /nfs/dbraw/zinc/49/68/97/1037496897.db2.gz ZYMIPFOBPBPWKZ-QOXJJDPVSA-N 2 1 378.944 3.753 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2CCC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246610218 1037502079 /nfs/dbraw/zinc/50/20/79/1037502079.db2.gz LTFPRSYVHROINB-CKHPTIKVSA-N 2 1 376.928 3.521 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@]3(CC[NH2+]3)C2)CC1 ZINC001246610218 1037502100 /nfs/dbraw/zinc/50/21/00/1037502100.db2.gz LTFPRSYVHROINB-CKHPTIKVSA-N 2 1 376.928 3.521 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3cc(F)ccc3C1)CC2 ZINC001246642364 1037523505 /nfs/dbraw/zinc/52/35/05/1037523505.db2.gz VWIZRTREVYLKLE-OAQYLSRUSA-N 2 1 380.507 3.829 20 0 GHADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001246644720 1037525879 /nfs/dbraw/zinc/52/58/79/1037525879.db2.gz IUGGLHTXFQIURP-YADARESESA-N 2 1 382.548 3.872 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246664443 1037535743 /nfs/dbraw/zinc/53/57/43/1037535743.db2.gz XJRTXOFINAXXMK-ZXHYAQOVSA-N 2 1 379.548 3.672 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CCN2)cc1 ZINC001246675879 1037544320 /nfs/dbraw/zinc/54/43/20/1037544320.db2.gz YUHDAXHOYKHEOB-ZKGSSEMHSA-N 2 1 375.560 3.733 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CCN2)cc1 ZINC001246675879 1037544329 /nfs/dbraw/zinc/54/43/29/1037544329.db2.gz YUHDAXHOYKHEOB-ZKGSSEMHSA-N 2 1 375.560 3.733 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4C[C@@H]5C[C@H]4C[NH2+]5)C[C@@H]23)cc1 ZINC001246689369 1037550976 /nfs/dbraw/zinc/55/09/76/1037550976.db2.gz JNFMUHVSSVWBLI-QWDLEPIUSA-N 2 1 387.571 3.798 20 0 GHADMP C[C@H]1C[C@@H](N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001246688417 1037551054 /nfs/dbraw/zinc/55/10/54/1037551054.db2.gz ZKVTXVQHSDLGFG-KTJVCJKDSA-N 2 1 375.560 3.729 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246714952 1037568556 /nfs/dbraw/zinc/56/85/56/1037568556.db2.gz AAESOLUUEWNKFI-DVKRWUGUSA-N 2 1 385.596 3.975 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)C[C@H](CC)[NH2+]1 ZINC001246714952 1037568567 /nfs/dbraw/zinc/56/85/67/1037568567.db2.gz AAESOLUUEWNKFI-DVKRWUGUSA-N 2 1 385.596 3.975 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246725467 1037574915 /nfs/dbraw/zinc/57/49/15/1037574915.db2.gz MCMLXPFZFPATNX-FLQYYVGBSA-N 2 1 375.601 3.941 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)N1c1ccccc1 ZINC001246730457 1037580759 /nfs/dbraw/zinc/58/07/59/1037580759.db2.gz RUHZSMYQJMLLMK-SSGKUCQKSA-N 2 1 375.516 3.750 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)N1c1ccccc1 ZINC001246730457 1037580775 /nfs/dbraw/zinc/58/07/75/1037580775.db2.gz RUHZSMYQJMLLMK-SSGKUCQKSA-N 2 1 375.516 3.750 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+](C4CCC5(CC[NH2+]CC5)CC4)C3)CC2=O)c1 ZINC001246745689 1037585443 /nfs/dbraw/zinc/58/54/43/1037585443.db2.gz NTKGJVKLSBBNDH-XMMPIXPASA-N 2 1 381.564 3.736 20 0 GHADMP O=C1C[C@]2(CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)CN1c1cccc(F)c1 ZINC001246754646 1037595199 /nfs/dbraw/zinc/59/51/99/1037595199.db2.gz GBBHLZWSEPABDW-HXJXPZHGSA-N 2 1 385.527 3.567 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246757968 1037599998 /nfs/dbraw/zinc/59/99/98/1037599998.db2.gz NHCSKOWCMKESOE-NAVOZUGXSA-N 2 1 384.564 3.635 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246757968 1037600031 /nfs/dbraw/zinc/60/00/31/1037600031.db2.gz NHCSKOWCMKESOE-NAVOZUGXSA-N 2 1 384.564 3.635 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246759339 1037601211 /nfs/dbraw/zinc/60/12/11/1037601211.db2.gz ROOXAOZZNUJIEZ-WSOYEBOPSA-N 2 1 398.591 3.505 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246759087 1037602324 /nfs/dbraw/zinc/60/23/24/1037602324.db2.gz PZAXICVWPSAKMO-FCHUYYIVSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246761378 1037603296 /nfs/dbraw/zinc/60/32/96/1037603296.db2.gz BBPZNLMQQFXPIQ-OHEPNIRZSA-N 2 1 391.506 3.560 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC[NH2+]1 ZINC001246762244 1037607310 /nfs/dbraw/zinc/60/73/10/1037607310.db2.gz YBQFOJNCAWUJRR-OQLXKQOESA-N 2 1 387.568 3.642 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)CC[NH2+]1 ZINC001246762244 1037607320 /nfs/dbraw/zinc/60/73/20/1037607320.db2.gz YBQFOJNCAWUJRR-OQLXKQOESA-N 2 1 387.568 3.642 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2)C1CCCC1 ZINC001246763438 1037607600 /nfs/dbraw/zinc/60/76/00/1037607600.db2.gz BHSFXHVSQLSVCQ-MYDTUXCISA-N 2 1 376.585 3.739 20 0 GHADMP Cc1ccc(Cl)c(O[C@H]2CCC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)c1 ZINC001246776553 1037618776 /nfs/dbraw/zinc/61/87/76/1037618776.db2.gz DCFWKTOOSPDIIU-WBTXTPOCSA-N 2 1 378.944 3.793 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)C1=O ZINC001246779713 1037618806 /nfs/dbraw/zinc/61/88/06/1037618806.db2.gz UNCSNCCTICQFJN-YADARESESA-N 2 1 381.564 3.555 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)C1=O ZINC001246780904 1037621701 /nfs/dbraw/zinc/62/17/01/1037621701.db2.gz VVPVWIZMZMFANZ-XZOYJPPVSA-N 2 1 383.580 3.799 20 0 GHADMP Fc1ccccc1[C@@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246797228 1037635465 /nfs/dbraw/zinc/63/54/65/1037635465.db2.gz OQXXDZFPERUCTE-XARGGIHNSA-N 2 1 379.523 3.968 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246810962 1037645501 /nfs/dbraw/zinc/64/55/01/1037645501.db2.gz BZPYMFBEGOVAQI-MFKWGIFDSA-N 2 1 377.617 3.949 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)C[C@@H](CC)[NH2+]1 ZINC001246817071 1037649303 /nfs/dbraw/zinc/64/93/03/1037649303.db2.gz IUROZEQKVSCQIB-HZPDHXFCSA-N 2 1 384.490 3.922 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246858247 1037680598 /nfs/dbraw/zinc/68/05/98/1037680598.db2.gz CTNSLUYXGFCMSP-HXUWFJFHSA-N 2 1 378.516 3.873 20 0 GHADMP CCOc1cccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)c1 ZINC001246863984 1037683332 /nfs/dbraw/zinc/68/33/32/1037683332.db2.gz NVAODSHATHBCER-GGAORHGYSA-N 2 1 379.548 3.571 20 0 GHADMP CC[C@H]1CC([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246885291 1037701179 /nfs/dbraw/zinc/70/11/79/1037701179.db2.gz DLYHFWXCAZCZNR-OALUTQOASA-N 2 1 377.960 3.797 20 0 GHADMP CC[C@H]1CC([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246885291 1037701195 /nfs/dbraw/zinc/70/11/95/1037701195.db2.gz DLYHFWXCAZCZNR-OALUTQOASA-N 2 1 377.960 3.797 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)CO2 ZINC001246946413 1037749568 /nfs/dbraw/zinc/74/95/68/1037749568.db2.gz MEGFIFRMNMBKEX-IBGZPJMESA-N 2 1 386.923 3.906 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)CO2 ZINC001246946413 1037749586 /nfs/dbraw/zinc/74/95/86/1037749586.db2.gz MEGFIFRMNMBKEX-IBGZPJMESA-N 2 1 386.923 3.906 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955546 1037765857 /nfs/dbraw/zinc/76/58/57/1037765857.db2.gz NSDZIQGOYIXQCW-YJBOKZPZSA-N 2 1 380.479 3.641 20 0 GHADMP Fc1ccc(C[N@H+](C2CC[NH2+]CC2)C2CCC3(CCC[NH2+]C3)CC2)c(F)c1 ZINC001246956401 1037766922 /nfs/dbraw/zinc/76/69/22/1037766922.db2.gz SMHSSZDZYUDFMR-UHFFFAOYSA-N 3 1 377.523 3.831 20 0 GHADMP Fc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CCC[NH2+]C3)CC2)c(F)c1 ZINC001246956401 1037766928 /nfs/dbraw/zinc/76/69/28/1037766928.db2.gz SMHSSZDZYUDFMR-UHFFFAOYSA-N 3 1 377.523 3.831 20 0 GHADMP Fc1ccc(C[N@@H+](C2Cc3cc(F)c(F)cc3C2)C2CC[NH2+]CC2)cc1F ZINC001246957097 1037767388 /nfs/dbraw/zinc/76/73/88/1037767388.db2.gz YJVATUCTJRFFTN-UHFFFAOYSA-N 2 1 378.413 3.964 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246962090 1037783487 /nfs/dbraw/zinc/78/34/87/1037783487.db2.gz SWBGSTNXQURJOV-HXUWFJFHSA-N 2 1 391.531 3.699 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](C3C[C@H](CC)[NH2+][C@@H](CC)C3)C2)cc1 ZINC001246974906 1037799091 /nfs/dbraw/zinc/79/90/91/1037799091.db2.gz SOMROGPEJWKHOM-IPJJNNNSSA-N 2 1 387.568 3.589 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)c1-c1ccccc1 ZINC001246992254 1037814381 /nfs/dbraw/zinc/81/43/81/1037814381.db2.gz VJQHVORSHNGQBC-FHLIZLRMSA-N 2 1 384.549 3.698 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)nc(C)[nH+]1 ZINC001246992511 1037815262 /nfs/dbraw/zinc/81/52/62/1037815262.db2.gz MYCAKKASVLBEAU-IRLDBZIGSA-N 3 1 397.542 3.593 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247008268 1037832841 /nfs/dbraw/zinc/83/28/41/1037832841.db2.gz GBMVJLMMQZMHJT-QAPCUYQASA-N 2 1 380.374 3.658 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccc4nc(C[C@H]5CCCC[NH2+]5)[nH]c4c3)CC2)cc1 ZINC001247010367 1037835352 /nfs/dbraw/zinc/83/53/52/1037835352.db2.gz IMOKJJNMBAZEFV-HXUWFJFHSA-N 2 1 389.547 3.570 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)Oc1ccccc1 ZINC001462223592 1070098715 /nfs/dbraw/zinc/09/87/15/1070098715.db2.gz VXFMNOKMESSLBE-UHFFFAOYSA-N 2 1 381.564 3.594 20 0 GHADMP Clc1csc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001232281624 1038014869 /nfs/dbraw/zinc/01/48/69/1038014869.db2.gz LRVWHMYIJCPAQE-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001232299348 1038041835 /nfs/dbraw/zinc/04/18/35/1038041835.db2.gz ASMUOZWHDUVRBN-OAQYLSRUSA-N 2 1 384.520 3.682 20 0 GHADMP [NH3+][C@H](Cc1ccc(-c2ccccc2)cc1)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247687666 1038326929 /nfs/dbraw/zinc/32/69/29/1038326929.db2.gz QUVOQTCNNMVOGF-HXUWFJFHSA-N 2 1 397.482 3.687 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cc(Br)ccc2C(F)(F)F)no1 ZINC001247698336 1038337167 /nfs/dbraw/zinc/33/71/67/1038337167.db2.gz FRFYBLBEZQPUEF-LLVKDONJSA-N 2 1 393.207 3.647 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2C(F)(F)F)no1 ZINC001247699538 1038339130 /nfs/dbraw/zinc/33/91/30/1038339130.db2.gz RMJQQZOKEBRPAE-LLVKDONJSA-N 2 1 393.207 3.647 20 0 GHADMP COc1cccc(C)c1CN1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001232622248 1038409576 /nfs/dbraw/zinc/40/95/76/1038409576.db2.gz MRNCQKQNJVVMMP-GIWBLDEGSA-N 2 1 394.563 3.575 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000721862015 1038412702 /nfs/dbraw/zinc/41/27/02/1038412702.db2.gz NZNJFTUSYSUIRY-KMKNWIINSA-N 2 1 399.579 3.885 20 0 GHADMP COc1ccc2c(Br)ccc(C[NH+]3CC4(C3)CC[NH+](C)CC4)c2n1 ZINC001232648676 1038436244 /nfs/dbraw/zinc/43/62/44/1038436244.db2.gz GQLUGHDRTSZKLD-UHFFFAOYSA-N 2 1 390.325 3.534 20 0 GHADMP Fc1cc(C(F)(F)F)ccc1-c1noc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247905182 1038476612 /nfs/dbraw/zinc/47/66/12/1038476612.db2.gz CRCPENCGZONWPZ-GFCCVEGCSA-N 2 1 398.404 3.826 20 0 GHADMP CCCCOc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1 ZINC001247909425 1038485085 /nfs/dbraw/zinc/48/50/85/1038485085.db2.gz LZVHPULHMAEAKL-UHFFFAOYSA-N 2 1 384.524 3.847 20 0 GHADMP Fc1cc(-c2noc([C@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247913977 1038487099 /nfs/dbraw/zinc/48/70/99/1038487099.db2.gz PIHZQGBZBVWHKA-VKSDOSABSA-N 2 1 393.466 3.711 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)[nH]1 ZINC001232689723 1038493734 /nfs/dbraw/zinc/49/37/34/1038493734.db2.gz PLOVQNCFWPFJCQ-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP [NH3+][C@H](Cc1ccc(F)cc1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247999769 1038532040 /nfs/dbraw/zinc/53/20/40/1038532040.db2.gz VRJRSIJGBNTRNE-FHLIRTJZSA-N 2 1 379.439 3.580 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cn1 ZINC001232824834 1038578683 /nfs/dbraw/zinc/57/86/83/1038578683.db2.gz JTPLEWSUGPXDQK-UHFFFAOYSA-N 2 1 385.577 3.859 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233121307 1038908227 /nfs/dbraw/zinc/90/82/27/1038908227.db2.gz FVVUIMYPZSIOBN-KRWDZBQOSA-N 2 1 398.482 3.551 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001252409798 1038988316 /nfs/dbraw/zinc/98/83/16/1038988316.db2.gz NUYKQFHALAMTQG-MOPGFXCFSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC001252411389 1038989009 /nfs/dbraw/zinc/98/90/09/1038989009.db2.gz VBSDWGZYJWBZJO-VJBWXMMDSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC001252411389 1038989010 /nfs/dbraw/zinc/98/90/10/1038989010.db2.gz VBSDWGZYJWBZJO-VJBWXMMDSA-N 2 1 398.595 3.555 20 0 GHADMP COc1c(O)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001233256622 1039024826 /nfs/dbraw/zinc/02/48/26/1039024826.db2.gz LVINBKDCEJOSNQ-IOMROCGXSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001233256622 1039024841 /nfs/dbraw/zinc/02/48/41/1039024841.db2.gz LVINBKDCEJOSNQ-IOMROCGXSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001233256622 1039024859 /nfs/dbraw/zinc/02/48/59/1039024859.db2.gz LVINBKDCEJOSNQ-IOMROCGXSA-N 2 1 381.520 3.528 20 0 GHADMP COc1c(O)cccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001233256622 1039024873 /nfs/dbraw/zinc/02/48/73/1039024873.db2.gz LVINBKDCEJOSNQ-IOMROCGXSA-N 2 1 381.520 3.528 20 0 GHADMP COCOc1cccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001233280451 1039052656 /nfs/dbraw/zinc/05/26/56/1039052656.db2.gz PHRJXHQFUAAZRO-UHFFFAOYSA-N 2 1 395.547 3.941 20 0 GHADMP O[C@]1(C[NH+]2CCC(c3nc4ccccc4o3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252916878 1039255060 /nfs/dbraw/zinc/25/50/60/1039255060.db2.gz IOPKVAIBBWWNND-DEOSSOPVSA-N 2 1 391.515 3.644 20 0 GHADMP O[C@]1(C[NH+]2CCC(c3nc4ccccc4o3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252916878 1039255072 /nfs/dbraw/zinc/25/50/72/1039255072.db2.gz IOPKVAIBBWWNND-DEOSSOPVSA-N 2 1 391.515 3.644 20 0 GHADMP C[C@H]1OC2(CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001252938836 1039282620 /nfs/dbraw/zinc/28/26/20/1039282620.db2.gz YWRVCEBHCGQSAW-YKSBVNFPSA-N 2 1 392.543 3.706 20 0 GHADMP C[C@H]1OC2(CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001252938836 1039282631 /nfs/dbraw/zinc/28/26/31/1039282631.db2.gz YWRVCEBHCGQSAW-YKSBVNFPSA-N 2 1 392.543 3.706 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC001252939390 1039284440 /nfs/dbraw/zinc/28/44/40/1039284440.db2.gz JXAYNTKXJACOBB-FKBYEOEOSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001252939390 1039284446 /nfs/dbraw/zinc/28/44/46/1039284446.db2.gz JXAYNTKXJACOBB-FKBYEOEOSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001252939390 1039284456 /nfs/dbraw/zinc/28/44/56/1039284456.db2.gz JXAYNTKXJACOBB-FKBYEOEOSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1ccc2c(C[C@@H](C)[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001252949147 1039294445 /nfs/dbraw/zinc/29/44/45/1039294445.db2.gz HWICKRPORMYLIZ-NTKDMRAZSA-N 2 1 377.532 3.634 20 0 GHADMP Cc1ccc2c(C[C@@H](C)[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001252949147 1039294449 /nfs/dbraw/zinc/29/44/49/1039294449.db2.gz HWICKRPORMYLIZ-NTKDMRAZSA-N 2 1 377.532 3.634 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001253023064 1039356039 /nfs/dbraw/zinc/35/60/39/1039356039.db2.gz UAKPHAFKENGJDC-FPOVZHCZSA-N 2 1 377.573 3.542 20 0 GHADMP CC1([NH2+]C[C@@H](O)CCOCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC001253303113 1039548478 /nfs/dbraw/zinc/54/84/78/1039548478.db2.gz VKSRWWZTQBPKIU-QHCPKHFHSA-N 2 1 382.548 3.599 20 0 GHADMP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2CCc4[nH+]ccn4C2)cc13 ZINC001233940143 1039717879 /nfs/dbraw/zinc/71/78/79/1039717879.db2.gz BAMWFXRIMKDWFF-QVHJCDIPSA-N 2 1 377.532 3.965 20 0 GHADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@@H]2CCc4[nH+]ccn4C2)cc13 ZINC001233940143 1039717889 /nfs/dbraw/zinc/71/78/89/1039717889.db2.gz BAMWFXRIMKDWFF-QVHJCDIPSA-N 2 1 377.532 3.965 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC001253728199 1039783110 /nfs/dbraw/zinc/78/31/10/1039783110.db2.gz NPQPRIYSWMNFMP-OAQYLSRUSA-N 2 1 378.605 3.593 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001253828416 1039834142 /nfs/dbraw/zinc/83/41/42/1039834142.db2.gz RNDGSRFGRUFXOS-HSZRJFAPSA-N 2 1 382.548 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001253832639 1039840379 /nfs/dbraw/zinc/84/03/79/1039840379.db2.gz UXMINLWYFPDQQA-TZRRMPRUSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001253832639 1039840396 /nfs/dbraw/zinc/84/03/96/1039840396.db2.gz UXMINLWYFPDQQA-TZRRMPRUSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001253832639 1039840417 /nfs/dbraw/zinc/84/04/17/1039840417.db2.gz UXMINLWYFPDQQA-TZRRMPRUSA-N 2 1 394.559 3.579 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)c1 ZINC001234179313 1039911076 /nfs/dbraw/zinc/91/10/76/1039911076.db2.gz KYCXUJPOVSOEQB-UHFFFAOYSA-N 2 1 392.591 3.976 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253999565 1039943982 /nfs/dbraw/zinc/94/39/82/1039943982.db2.gz GUBMASBYMYKZSI-RTWAWAEBSA-N 2 1 390.568 3.554 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001253999565 1039943989 /nfs/dbraw/zinc/94/39/89/1039943989.db2.gz GUBMASBYMYKZSI-RTWAWAEBSA-N 2 1 390.568 3.554 20 0 GHADMP CC[N@@H+](CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001254029291 1039963522 /nfs/dbraw/zinc/96/35/22/1039963522.db2.gz CLQNWJKYKWBWKE-NRFANRHFSA-N 2 1 396.575 3.975 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC001254033821 1039966659 /nfs/dbraw/zinc/96/66/59/1039966659.db2.gz AAYFCNQTGSVQCI-YADHBBJMSA-N 2 1 388.600 3.750 20 0 GHADMP FC1(F)CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001254220475 1040074735 /nfs/dbraw/zinc/07/47/35/1040074735.db2.gz MUYACTNTQPCKAP-HOJAQTOUSA-N 2 1 378.511 3.636 20 0 GHADMP FC1(F)CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001254220475 1040074749 /nfs/dbraw/zinc/07/47/49/1040074749.db2.gz MUYACTNTQPCKAP-HOJAQTOUSA-N 2 1 378.511 3.636 20 0 GHADMP FC1(F)CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001254220475 1040074768 /nfs/dbraw/zinc/07/47/68/1040074768.db2.gz MUYACTNTQPCKAP-HOJAQTOUSA-N 2 1 378.511 3.636 20 0 GHADMP FC1(F)CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CC1 ZINC001254220475 1040074778 /nfs/dbraw/zinc/07/47/78/1040074778.db2.gz MUYACTNTQPCKAP-HOJAQTOUSA-N 2 1 378.511 3.636 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+]([C@@H]2Cc3ccc(Br)cc3C2)C2CCOCC2)CC1 ZINC001254274978 1040119830 /nfs/dbraw/zinc/11/98/30/1040119830.db2.gz IYPJLAMMUOALAA-QWFCFKBJSA-N 2 1 393.369 3.667 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254313586 1040166391 /nfs/dbraw/zinc/16/63/91/1040166391.db2.gz KHDYHTPDGFVFOW-SFHVURJKSA-N 2 1 388.556 3.738 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+](Cc1[nH]c(C)nc1C)CC2 ZINC001234610244 1040166982 /nfs/dbraw/zinc/16/69/82/1040166982.db2.gz SJWQUOMJPCGCHR-UHFFFAOYSA-N 2 1 396.516 3.537 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CCN(Cc1[nH]c(C)nc1C)CC2 ZINC001234610244 1040166987 /nfs/dbraw/zinc/16/69/87/1040166987.db2.gz SJWQUOMJPCGCHR-UHFFFAOYSA-N 2 1 396.516 3.537 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCc4ccccc4CC3)CC2)c1 ZINC001254462555 1040250270 /nfs/dbraw/zinc/25/02/70/1040250270.db2.gz CVTZEVVTYDDNJI-UHFFFAOYSA-N 2 1 392.543 3.975 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506574 1040286814 /nfs/dbraw/zinc/28/68/14/1040286814.db2.gz UKPJONDDYVXULL-GMAHTHKFSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506574 1040286826 /nfs/dbraw/zinc/28/68/26/1040286826.db2.gz UKPJONDDYVXULL-GMAHTHKFSA-N 2 1 396.531 3.944 20 0 GHADMP Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522594 1040296684 /nfs/dbraw/zinc/29/66/84/1040296684.db2.gz OZKJEUGZULMERJ-DENIHFKCSA-N 2 1 398.595 3.529 20 0 GHADMP CC(C)N1CCOC[C@@]2(CCC[N@H+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626299 1040402663 /nfs/dbraw/zinc/40/26/63/1040402663.db2.gz SOZGGCVPCLLUFH-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626299 1040402670 /nfs/dbraw/zinc/40/26/70/1040402670.db2.gz SOZGGCVPCLLUFH-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626299 1040402676 /nfs/dbraw/zinc/40/26/76/1040402676.db2.gz SOZGGCVPCLLUFH-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626299 1040402691 /nfs/dbraw/zinc/40/26/91/1040402691.db2.gz SOZGGCVPCLLUFH-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCN(c4ccc(F)cc4)CC3)C2)C1 ZINC001254626299 1040402701 /nfs/dbraw/zinc/40/27/01/1040402701.db2.gz SOZGGCVPCLLUFH-QHCPKHFHSA-N 2 1 389.559 3.617 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254730193 1040488346 /nfs/dbraw/zinc/48/83/46/1040488346.db2.gz AXNUIYAYDIKCOP-MOPGFXCFSA-N 2 1 379.589 3.878 20 0 GHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(OCc2ccccc2)cc1C ZINC001235036974 1040532479 /nfs/dbraw/zinc/53/24/79/1040532479.db2.gz ANSXNNLUOZWWHE-ZJSXRUAMSA-N 2 1 380.532 3.693 20 0 GHADMP c1ccc(COc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc3c2OCO3)cc1 ZINC001235095492 1040585962 /nfs/dbraw/zinc/58/59/62/1040585962.db2.gz RJKGSLNDMXXPAZ-UHFFFAOYSA-N 2 1 380.488 3.570 20 0 GHADMP c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@@H]3C[NH+]4CCC3CC4)no1)CC2 ZINC001254851110 1040594392 /nfs/dbraw/zinc/59/43/92/1040594392.db2.gz RNYQXDULGFABJE-IEBWSBKVSA-N 2 1 381.524 3.853 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4c(c3)CCN4C(=O)OC(C)(C)C)C2)CC1 ZINC001235126119 1040618459 /nfs/dbraw/zinc/61/84/59/1040618459.db2.gz NRPZXPFJBJYMJK-UHFFFAOYSA-N 2 1 385.552 3.902 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)C[C@@H]2C1 ZINC001254891889 1040645840 /nfs/dbraw/zinc/64/58/40/1040645840.db2.gz CHWWMEWSXROLAP-WOZUAGRISA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)C[C@@H]2C1 ZINC001254891889 1040645870 /nfs/dbraw/zinc/64/58/70/1040645870.db2.gz CHWWMEWSXROLAP-WOZUAGRISA-N 2 1 391.600 3.876 20 0 GHADMP Brc1cc2[nH]cc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2cn1 ZINC001235156683 1040650935 /nfs/dbraw/zinc/65/09/35/1040650935.db2.gz HRVKJLFNPXMWPC-QGZVFWFLSA-N 2 1 377.330 3.680 20 0 GHADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(Br)c(OC(F)(F)F)c3)C[C@@H]2C1 ZINC001235172660 1040664365 /nfs/dbraw/zinc/66/43/65/1040664365.db2.gz SPRZDAVIODJEJS-OLZOCXBDSA-N 2 1 393.247 3.731 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235227289 1040707531 /nfs/dbraw/zinc/70/75/31/1040707531.db2.gz HEQGFTMCPUISGB-JOCHJYFZSA-N 2 1 383.511 3.749 20 0 GHADMP [NH3+]Cc1nc2ccc(Cl)cc2n1C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254992222 1040713332 /nfs/dbraw/zinc/71/33/32/1040713332.db2.gz IWLHAQIWZVJMDT-YQQQUEKLSA-N 2 1 396.922 3.753 20 0 GHADMP COC(=O)/C=C/c1cc(F)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC001235236640 1040715694 /nfs/dbraw/zinc/71/56/94/1040715694.db2.gz GBRPBMGDYNJRFZ-XJDXJNMNSA-N 2 1 378.463 3.505 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2Cc3ccccc3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255018030 1040731450 /nfs/dbraw/zinc/73/14/50/1040731450.db2.gz FVQIVNAUNGOYRU-HZCBDIJESA-N 2 1 378.516 3.713 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001235284546 1040755944 /nfs/dbraw/zinc/75/59/44/1040755944.db2.gz LXMBKJCJGPRKEH-XEMDLRDOSA-N 2 1 392.421 3.682 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC001235284546 1040755963 /nfs/dbraw/zinc/75/59/63/1040755963.db2.gz LXMBKJCJGPRKEH-XEMDLRDOSA-N 2 1 392.421 3.682 20 0 GHADMP CC(=O)OCC[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255077521 1040767009 /nfs/dbraw/zinc/76/70/09/1040767009.db2.gz WHOWPEXPVCHQPZ-ISJGIBHGSA-N 2 1 392.543 3.904 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(SC)cc1)C2 ZINC001235323376 1040793489 /nfs/dbraw/zinc/79/34/89/1040793489.db2.gz CCPFAXDFXNCLCC-SIKLNZKXSA-N 2 1 388.577 3.553 20 0 GHADMP CCCOc1cccnc1C(=[NH2+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255132095 1040828979 /nfs/dbraw/zinc/82/89/79/1040828979.db2.gz JCPBYQFZRATPPV-OWZKRDHZSA-N 2 1 378.520 3.981 20 0 GHADMP CCCOc1cccnc1C(=[NH2+])N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132095 1040828989 /nfs/dbraw/zinc/82/89/89/1040828989.db2.gz JCPBYQFZRATPPV-OWZKRDHZSA-N 2 1 378.520 3.981 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001255131467 1040829021 /nfs/dbraw/zinc/82/90/21/1040829021.db2.gz DZPNTUGIPFDYGQ-XCQSSEHYSA-N 2 1 397.607 3.933 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255131467 1040829037 /nfs/dbraw/zinc/82/90/37/1040829037.db2.gz DZPNTUGIPFDYGQ-XCQSSEHYSA-N 3 1 397.607 3.933 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255131467 1040829045 /nfs/dbraw/zinc/82/90/45/1040829045.db2.gz DZPNTUGIPFDYGQ-XCQSSEHYSA-N 3 1 397.607 3.933 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCOCC2)[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255131467 1040829052 /nfs/dbraw/zinc/82/90/52/1040829052.db2.gz DZPNTUGIPFDYGQ-XCQSSEHYSA-N 3 1 397.607 3.933 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCOCC2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255131467 1040829062 /nfs/dbraw/zinc/82/90/62/1040829062.db2.gz DZPNTUGIPFDYGQ-XCQSSEHYSA-N 3 1 397.607 3.933 20 0 GHADMP O[C@]1(C(F)(F)F)CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255135485 1040836614 /nfs/dbraw/zinc/83/66/14/1040836614.db2.gz CAIACSIDHKWPRU-IYWMVGAKSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255135485 1040836640 /nfs/dbraw/zinc/83/66/40/1040836640.db2.gz CAIACSIDHKWPRU-IYWMVGAKSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135485 1040836650 /nfs/dbraw/zinc/83/66/50/1040836650.db2.gz CAIACSIDHKWPRU-IYWMVGAKSA-N 2 1 382.470 3.961 20 0 GHADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363719 1040849770 /nfs/dbraw/zinc/84/97/70/1040849770.db2.gz JQVUVXOEBQFCPM-RDGATRHJSA-N 2 1 387.527 3.997 20 0 GHADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363719 1040849794 /nfs/dbraw/zinc/84/97/94/1040849794.db2.gz JQVUVXOEBQFCPM-RDGATRHJSA-N 2 1 387.527 3.997 20 0 GHADMP CC1(C(=O)N2CCCC2)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255145834 1040858923 /nfs/dbraw/zinc/85/89/23/1040858923.db2.gz VMMAUMCLVJEKPL-NUNAXRQHSA-N 2 1 395.591 3.907 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001255149451 1040867497 /nfs/dbraw/zinc/86/74/97/1040867497.db2.gz HRTSZTCEZJLMRR-KOUNCHBCSA-N 2 1 392.547 3.824 20 0 GHADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235369197 1040869582 /nfs/dbraw/zinc/86/95/82/1040869582.db2.gz XPFGEEXIEQOLIU-ZJSXRUAMSA-N 2 1 380.532 3.847 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OC ZINC001235369197 1040869597 /nfs/dbraw/zinc/86/95/97/1040869597.db2.gz XPFGEEXIEQOLIU-ZJSXRUAMSA-N 2 1 380.532 3.847 20 0 GHADMP Cc1c[nH+]ccc1N1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255150802 1040873443 /nfs/dbraw/zinc/87/34/43/1040873443.db2.gz OTXDYWQKHDENJE-NUNAXRQHSA-N 2 1 376.548 3.708 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151267 1040875065 /nfs/dbraw/zinc/87/50/65/1040875065.db2.gz VGWIWNHFBJRCSU-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151267 1040875075 /nfs/dbraw/zinc/87/50/75/1040875075.db2.gz VGWIWNHFBJRCSU-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151267 1040875084 /nfs/dbraw/zinc/87/50/84/1040875084.db2.gz VGWIWNHFBJRCSU-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151267 1040875092 /nfs/dbraw/zinc/87/50/92/1040875092.db2.gz VGWIWNHFBJRCSU-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP Cc1nccc(N(C2CC[NH2+]CC2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255151272 1040875834 /nfs/dbraw/zinc/87/58/34/1040875834.db2.gz VKEFFSIBRJOYBU-NUNAXRQHSA-N 2 1 391.563 3.539 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2ccccc2-c2cncnc2)CC3)cc1 ZINC001235372334 1040879768 /nfs/dbraw/zinc/87/97/68/1040879768.db2.gz TYQCOUIVVISRLS-UKILVPOCSA-N 2 1 384.527 3.897 20 0 GHADMP Oc1ccc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1OC(F)(F)F ZINC001235374632 1040882330 /nfs/dbraw/zinc/88/23/30/1040882330.db2.gz GPYVMESTNOJCDB-XLIONFOSSA-N 2 1 392.421 3.870 20 0 GHADMP Oc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1OC(F)(F)F ZINC001235374632 1040882347 /nfs/dbraw/zinc/88/23/47/1040882347.db2.gz GPYVMESTNOJCDB-XLIONFOSSA-N 2 1 392.421 3.870 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001255186398 1040893256 /nfs/dbraw/zinc/89/32/56/1040893256.db2.gz UJNOOCBDZWIGQO-OHLDOZIISA-N 2 1 385.552 3.781 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001255186398 1040893266 /nfs/dbraw/zinc/89/32/66/1040893266.db2.gz UJNOOCBDZWIGQO-OHLDOZIISA-N 2 1 385.552 3.781 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001255194032 1040900819 /nfs/dbraw/zinc/90/08/19/1040900819.db2.gz ZVVPYLSZEPAUAQ-YPHBOWRQSA-N 2 1 385.552 3.910 20 0 GHADMP Fc1ccc(-n2cc(C[N@@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cn2)cc1 ZINC001235381476 1040902124 /nfs/dbraw/zinc/90/21/24/1040902124.db2.gz XUEONUOKBDULGO-PKTZIBPZSA-N 2 1 376.479 3.591 20 0 GHADMP Fc1ccc(-n2cc(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)cn2)cc1 ZINC001235381476 1040902127 /nfs/dbraw/zinc/90/21/27/1040902127.db2.gz XUEONUOKBDULGO-PKTZIBPZSA-N 2 1 376.479 3.591 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@H+](Cc2cccc(N4CCCCC4)n2)CC3)cc1 ZINC001235383467 1040903082 /nfs/dbraw/zinc/90/30/82/1040903082.db2.gz PQHOTKLTOXOJLT-RDGATRHJSA-N 2 1 390.575 3.825 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2cccc(N4CCCCC4)n2)CC3)cc1 ZINC001235383467 1040903083 /nfs/dbraw/zinc/90/30/83/1040903083.db2.gz PQHOTKLTOXOJLT-RDGATRHJSA-N 2 1 390.575 3.825 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C1)C2 ZINC001255206391 1040904919 /nfs/dbraw/zinc/90/49/19/1040904919.db2.gz XEJSVFXBJUZUTK-VJRSKZRISA-N 2 1 397.563 3.511 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C1)C2 ZINC001255206391 1040904920 /nfs/dbraw/zinc/90/49/20/1040904920.db2.gz XEJSVFXBJUZUTK-VJRSKZRISA-N 2 1 397.563 3.511 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C1)C2 ZINC001255206391 1040904922 /nfs/dbraw/zinc/90/49/22/1040904922.db2.gz XEJSVFXBJUZUTK-VJRSKZRISA-N 2 1 397.563 3.511 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001255221204 1040912491 /nfs/dbraw/zinc/91/24/91/1040912491.db2.gz WJQDQVGRPCPDHW-KJFMYELZSA-N 2 1 379.589 3.875 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(Br)c1O ZINC001235423528 1040925926 /nfs/dbraw/zinc/92/59/26/1040925926.db2.gz GVZXNXPKELDOSZ-HZPDHXFCSA-N 2 1 397.357 3.765 20 0 GHADMP CCOC(=O)C1CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001255266409 1040934261 /nfs/dbraw/zinc/93/42/61/1040934261.db2.gz MATIGBPPJAKTLT-JKYAZJQKSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001255266409 1040934266 /nfs/dbraw/zinc/93/42/66/1040934266.db2.gz MATIGBPPJAKTLT-JKYAZJQKSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001255266409 1040934278 /nfs/dbraw/zinc/93/42/78/1040934278.db2.gz MATIGBPPJAKTLT-JKYAZJQKSA-N 2 1 384.564 3.952 20 0 GHADMP COc1cncc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1C ZINC001235463185 1040948909 /nfs/dbraw/zinc/94/89/09/1040948909.db2.gz KLPZOTQQQHBJOW-UHFFFAOYSA-N 2 1 380.536 3.670 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cncc(OC)c2C)CC3)c1 ZINC001235463812 1040949024 /nfs/dbraw/zinc/94/90/24/1040949024.db2.gz LGZOMYPWVWYEIJ-UHFFFAOYSA-N 2 1 395.547 3.895 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cncc(F)c1Cl)CC2 ZINC001235500336 1040963446 /nfs/dbraw/zinc/96/34/46/1040963446.db2.gz ZFPGHYWBVFUEEU-INIZCTEOSA-N 2 1 393.890 3.723 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389289 1040977278 /nfs/dbraw/zinc/97/72/78/1040977278.db2.gz FCVFGRNIAVECMV-ZEQRLZLVSA-N 2 1 393.575 3.914 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC001255390515 1040977815 /nfs/dbraw/zinc/97/78/15/1040977815.db2.gz IFCDZASOWYXCRJ-VWLOTQADSA-N 3 1 392.591 3.938 20 0 GHADMP c1ccc(CN2CCC[C@H]([NH2+]CC3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC001255390515 1040977817 /nfs/dbraw/zinc/97/78/17/1040977817.db2.gz IFCDZASOWYXCRJ-VWLOTQADSA-N 2 1 392.591 3.938 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3cccc(OC4CCOCC4)n3)CC2)cc1 ZINC001255390588 1040978047 /nfs/dbraw/zinc/97/80/47/1040978047.db2.gz JGTKPUFNPKBLCY-OAQYLSRUSA-N 2 1 395.547 3.784 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3cccc(OC4CCOCC4)n3)CC2)cc1 ZINC001255390588 1040978059 /nfs/dbraw/zinc/97/80/59/1040978059.db2.gz JGTKPUFNPKBLCY-OAQYLSRUSA-N 2 1 395.547 3.784 20 0 GHADMP CN(CC1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001255399497 1040984554 /nfs/dbraw/zinc/98/45/54/1040984554.db2.gz SWYHWZTWTQFBSG-NRFANRHFSA-N 2 1 387.568 3.840 20 0 GHADMP CN(CC1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001255399497 1040984555 /nfs/dbraw/zinc/98/45/55/1040984555.db2.gz SWYHWZTWTQFBSG-NRFANRHFSA-N 2 1 387.568 3.840 20 0 GHADMP CN(CC1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001255399498 1040985389 /nfs/dbraw/zinc/98/53/89/1040985389.db2.gz SWYHWZTWTQFBSG-OAQYLSRUSA-N 2 1 387.568 3.840 20 0 GHADMP CN(CC1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001255399498 1040985392 /nfs/dbraw/zinc/98/53/92/1040985392.db2.gz SWYHWZTWTQFBSG-OAQYLSRUSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001235558407 1040986363 /nfs/dbraw/zinc/98/63/63/1040986363.db2.gz JBMILYDEDURCSB-YTQUADARSA-N 2 1 393.597 3.805 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001235558407 1040986366 /nfs/dbraw/zinc/98/63/66/1040986366.db2.gz JBMILYDEDURCSB-YTQUADARSA-N 2 1 393.597 3.805 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001235558407 1040986371 /nfs/dbraw/zinc/98/63/71/1040986371.db2.gz JBMILYDEDURCSB-YTQUADARSA-N 2 1 393.597 3.805 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H]21 ZINC001235558407 1040986375 /nfs/dbraw/zinc/98/63/75/1040986375.db2.gz JBMILYDEDURCSB-YTQUADARSA-N 2 1 393.597 3.805 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001255405291 1040993324 /nfs/dbraw/zinc/99/33/24/1040993324.db2.gz YYDCROAPCOYHLJ-ZLNRFVROSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001255405291 1040993325 /nfs/dbraw/zinc/99/33/25/1040993325.db2.gz YYDCROAPCOYHLJ-ZLNRFVROSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001255405291 1040993326 /nfs/dbraw/zinc/99/33/26/1040993326.db2.gz YYDCROAPCOYHLJ-ZLNRFVROSA-N 2 1 383.580 3.620 20 0 GHADMP c1cc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)ccn1 ZINC001235577298 1040995691 /nfs/dbraw/zinc/99/56/91/1040995691.db2.gz XTYCULNMVWQEPG-RPWUZVMVSA-N 2 1 377.532 3.546 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409625 1040998161 /nfs/dbraw/zinc/99/81/61/1040998161.db2.gz JEYGBIOMLIJOCP-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409625 1040998164 /nfs/dbraw/zinc/99/81/64/1040998164.db2.gz JEYGBIOMLIJOCP-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)ncn1 ZINC001255409625 1040998166 /nfs/dbraw/zinc/99/81/66/1040998166.db2.gz JEYGBIOMLIJOCP-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410323 1040998900 /nfs/dbraw/zinc/99/89/00/1040998900.db2.gz UKOCUZICNBWWKX-JTHBVZDNSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410323 1040998902 /nfs/dbraw/zinc/99/89/02/1040998902.db2.gz UKOCUZICNBWWKX-JTHBVZDNSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410323 1040998906 /nfs/dbraw/zinc/99/89/06/1040998906.db2.gz UKOCUZICNBWWKX-JTHBVZDNSA-N 2 1 378.516 3.814 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)Cc2ccccc21 ZINC001255410323 1040998907 /nfs/dbraw/zinc/99/89/07/1040998907.db2.gz UKOCUZICNBWWKX-JTHBVZDNSA-N 2 1 378.516 3.814 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](CCC[NH2+]C3CCCCC3)C[C@H]12 ZINC001235608924 1041025872 /nfs/dbraw/zinc/02/58/72/1041025872.db2.gz JLHMMBJRGYUJLO-BJKOFHAPSA-N 2 1 383.580 3.563 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](CCC[NH2+]C3CCCCC3)C[C@H]12 ZINC001235608924 1041025892 /nfs/dbraw/zinc/02/58/92/1041025892.db2.gz JLHMMBJRGYUJLO-BJKOFHAPSA-N 2 1 383.580 3.563 20 0 GHADMP COc1cc(C)c(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1C ZINC001235646508 1041085970 /nfs/dbraw/zinc/08/59/70/1041085970.db2.gz QMRBDNRIROVNJR-UHFFFAOYSA-N 2 1 382.552 3.947 20 0 GHADMP Fc1cc(F)c(CC[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1F ZINC001235646418 1041086846 /nfs/dbraw/zinc/08/68/46/1041086846.db2.gz OJMSQBPDKUKRNI-UHFFFAOYSA-N 2 1 392.469 3.781 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660900 1041114273 /nfs/dbraw/zinc/11/42/73/1041114273.db2.gz IIWMAEXUGNDXRT-VOQZNFBZSA-N 2 1 396.604 3.521 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660900 1041114282 /nfs/dbraw/zinc/11/42/82/1041114282.db2.gz IIWMAEXUGNDXRT-VOQZNFBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660900 1041114299 /nfs/dbraw/zinc/11/42/99/1041114299.db2.gz IIWMAEXUGNDXRT-VOQZNFBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660900 1041114310 /nfs/dbraw/zinc/11/43/10/1041114310.db2.gz IIWMAEXUGNDXRT-VOQZNFBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@@H]21 ZINC001235660900 1041114321 /nfs/dbraw/zinc/11/43/21/1041114321.db2.gz IIWMAEXUGNDXRT-VOQZNFBZSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001235693380 1041170308 /nfs/dbraw/zinc/17/03/08/1041170308.db2.gz YVGCGGMQTFTQAT-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP COc1ccc(Br)c(OC)c1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235702079 1041182462 /nfs/dbraw/zinc/18/24/62/1041182462.db2.gz IWPABBZVWMZERI-UHFFFAOYSA-N 2 1 397.357 3.678 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235712721 1041194799 /nfs/dbraw/zinc/19/47/99/1041194799.db2.gz PGDHKZCFHKFKGZ-UHFFFAOYSA-N 3 1 392.591 3.583 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCC1CCOCC1 ZINC001255670846 1041203431 /nfs/dbraw/zinc/20/34/31/1041203431.db2.gz BXUTXUUUAQJKNG-SEJPIABJSA-N 2 1 388.552 3.606 20 0 GHADMP CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001255679166 1041211795 /nfs/dbraw/zinc/21/17/95/1041211795.db2.gz TZDZBWCKEKYNBA-KORDQABASA-N 2 1 395.591 3.872 20 0 GHADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2OCc2ccccc2)C1 ZINC001235748846 1041235162 /nfs/dbraw/zinc/23/51/62/1041235162.db2.gz DOESVTHVVONROV-MRXNPFEDSA-N 2 1 380.410 3.945 20 0 GHADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2OCc2ccccc2)C1 ZINC001235748846 1041235179 /nfs/dbraw/zinc/23/51/79/1041235179.db2.gz DOESVTHVVONROV-MRXNPFEDSA-N 2 1 380.410 3.945 20 0 GHADMP CC[N@@H+](Cc1ccc(Cl)c(I)c1)C1CC[NH2+]CC1 ZINC001235761641 1041250054 /nfs/dbraw/zinc/25/00/54/1041250054.db2.gz NUDSOZBNNGZMDD-UHFFFAOYSA-N 2 1 378.685 3.519 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255740832 1041259516 /nfs/dbraw/zinc/25/95/16/1041259516.db2.gz CSELDOHLMUXIMV-LRXVAGHRSA-N 2 1 392.584 3.987 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255740832 1041259527 /nfs/dbraw/zinc/25/95/27/1041259527.db2.gz CSELDOHLMUXIMV-LRXVAGHRSA-N 2 1 392.584 3.987 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255740832 1041259542 /nfs/dbraw/zinc/25/95/42/1041259542.db2.gz CSELDOHLMUXIMV-LRXVAGHRSA-N 2 1 392.584 3.987 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001255835360 1041332164 /nfs/dbraw/zinc/33/21/64/1041332164.db2.gz XICLHNJZNBQXNN-KRWDZBQOSA-N 2 1 381.536 3.583 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255844831 1041337487 /nfs/dbraw/zinc/33/74/87/1041337487.db2.gz LWVPJXWIEWJTTI-KNQAVFIVSA-N 2 1 397.538 3.907 20 0 GHADMP O=C(c1ccc(Br)cc1)C1CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235841469 1041368575 /nfs/dbraw/zinc/36/85/75/1041368575.db2.gz ZHNZHVYZSHXHIQ-SFHVURJKSA-N 2 1 379.342 3.876 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001255960949 1041440303 /nfs/dbraw/zinc/44/03/03/1041440303.db2.gz KABVZOUZCMWTPP-RTWAWAEBSA-N 2 1 389.584 3.700 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964531 1041443595 /nfs/dbraw/zinc/44/35/95/1041443595.db2.gz ZGAHXLVZMCVJMD-QPPBQGQZSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@]1(c2ccc(F)cc2)C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)CCO1 ZINC001235962464 1041469777 /nfs/dbraw/zinc/46/97/77/1041469777.db2.gz KYUHGMUPJJLUMB-HSZRJFAPSA-N 2 1 379.479 3.631 20 0 GHADMP CC(C)Oc1ccccc1OC1CC[NH+](C[C@H]2[C@@H](C)C[NH2+]CC2(F)F)CC1 ZINC001235968610 1041473063 /nfs/dbraw/zinc/47/30/63/1041473063.db2.gz JTGQXDXGSBQNDP-WMZOPIPTSA-N 2 1 382.495 3.808 20 0 GHADMP Clc1ccc(O[C@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001235974393 1041479399 /nfs/dbraw/zinc/47/93/99/1041479399.db2.gz QNMMRHYSDISERS-QFIPXVFZSA-N 2 1 385.939 3.793 20 0 GHADMP CCCN(C(=O)NCC[NH+]1CCC[C@@H]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001256034210 1041485594 /nfs/dbraw/zinc/48/55/94/1041485594.db2.gz WSGFWYNBTMSPKT-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001256034210 1041485606 /nfs/dbraw/zinc/48/56/06/1041485606.db2.gz WSGFWYNBTMSPKT-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CCCN(C(=O)NCC[N@H+]1CCC[C@@H]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001256034210 1041485618 /nfs/dbraw/zinc/48/56/18/1041485618.db2.gz WSGFWYNBTMSPKT-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256070392 1041505410 /nfs/dbraw/zinc/50/54/10/1041505410.db2.gz YDPMMZVOALRMER-MHIUNMELSA-N 2 1 398.595 3.699 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1)c1cccc(Cl)c1 ZINC001256072207 1041506689 /nfs/dbraw/zinc/50/66/89/1041506689.db2.gz KRJZTSBXGVSMFB-IYARVYRRSA-N 2 1 375.944 3.597 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236099179 1041535782 /nfs/dbraw/zinc/53/57/82/1041535782.db2.gz XGEAVUXDAISHLA-DHIUTWEWSA-N 2 1 378.516 3.644 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001236146158 1041568765 /nfs/dbraw/zinc/56/87/65/1041568765.db2.gz XPYZJXCHGQPSBM-JOCHJYFZSA-N 2 1 385.596 3.761 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)Cc1cccc(C[NH3+])c1 ZINC001236155168 1041579776 /nfs/dbraw/zinc/57/97/76/1041579776.db2.gz ZCOFGJLEPBRVTE-SCWSEQNSSA-N 2 1 378.557 3.739 20 0 GHADMP CC(C)[N@@H+](CCC(=O)c1ccc2ccccc2c1)Cc1cnc2n1CC[NH2+]CC2 ZINC001236162016 1041586568 /nfs/dbraw/zinc/58/65/68/1041586568.db2.gz WDDYHQOAYZQXNZ-UHFFFAOYSA-N 2 1 390.531 3.665 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3c[nH]c4ccccc34)s2)CC1 ZINC001236194282 1041611961 /nfs/dbraw/zinc/61/19/61/1041611961.db2.gz VDKZWUCBPRLSHA-HXUWFJFHSA-N 2 1 381.549 3.713 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3c[nH]c4ccccc34)s2)CC1 ZINC001236194282 1041611967 /nfs/dbraw/zinc/61/19/67/1041611967.db2.gz VDKZWUCBPRLSHA-HXUWFJFHSA-N 2 1 381.549 3.713 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C[C@@H]2Cc4ccccc4C[NH2+]2)C3)cc1 ZINC001236241444 1041640126 /nfs/dbraw/zinc/64/01/26/1041640126.db2.gz SGRFMBVLDVGMMZ-LOSJGSFVSA-N 2 1 375.560 3.689 20 0 GHADMP Cc1ncc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(C(F)(F)F)n1 ZINC001236386615 1041693228 /nfs/dbraw/zinc/69/32/28/1041693228.db2.gz SGKZZEUTWQZAJX-UHFFFAOYSA-N 2 1 396.432 3.945 20 0 GHADMP Fc1ccc(CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236388129 1041693425 /nfs/dbraw/zinc/69/34/25/1041693425.db2.gz IMXJKXXRYAUZPX-ISKFKSNPSA-N 2 1 381.539 3.902 20 0 GHADMP Fc1ccc(C[N@H+](Cc2c[nH]c(Br)c2)CC2CC[NH2+]CC2)cc1 ZINC001236385556 1041693735 /nfs/dbraw/zinc/69/37/35/1041693735.db2.gz WDLYAOLCTIHIMA-UHFFFAOYSA-N 2 1 380.305 3.918 20 0 GHADMP COC(=O)c1cc2cc(C[N@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)ccc2[nH]1 ZINC001236407057 1041703517 /nfs/dbraw/zinc/70/35/17/1041703517.db2.gz BCDMCPYOIBFIGH-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cc2cc(C[N@@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)ccc2[nH]1 ZINC001236407057 1041703522 /nfs/dbraw/zinc/70/35/22/1041703522.db2.gz BCDMCPYOIBFIGH-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc3c(c2)OCCCO3)C2CC[NH2+]CC2)cc1 ZINC001236442310 1041714578 /nfs/dbraw/zinc/71/45/78/1041714578.db2.gz MZFHZRCLGJMTNT-UHFFFAOYSA-N 2 1 382.504 3.611 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCCCO3)C2CC[NH2+]CC2)cc1 ZINC001236442310 1041714580 /nfs/dbraw/zinc/71/45/80/1041714580.db2.gz MZFHZRCLGJMTNT-UHFFFAOYSA-N 2 1 382.504 3.611 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236448145 1041716960 /nfs/dbraw/zinc/71/69/60/1041716960.db2.gz ZERMVKXEDZHXKE-FMIVXFBMSA-N 2 1 394.515 3.636 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236448145 1041716966 /nfs/dbraw/zinc/71/69/66/1041716966.db2.gz ZERMVKXEDZHXKE-FMIVXFBMSA-N 2 1 394.515 3.636 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OCc2ccccc2)c(OC)c1)C1CC[NH2+]CC1 ZINC001236459814 1041722460 /nfs/dbraw/zinc/72/24/60/1041722460.db2.gz FTGFSKDCEHCPBK-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OCc2ccccc2)c(OC)c1)C1CC[NH2+]CC1 ZINC001236459814 1041722466 /nfs/dbraw/zinc/72/24/66/1041722466.db2.gz FTGFSKDCEHCPBK-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](CN(Cc3cccnc3)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236479506 1041733671 /nfs/dbraw/zinc/73/36/71/1041733671.db2.gz WBQNIWTUCAKOQY-RPWUZVMVSA-N 2 1 378.564 3.548 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001236509124 1041745706 /nfs/dbraw/zinc/74/57/06/1041745706.db2.gz GVZZIPWDMBBANY-IYARVYRRSA-N 2 1 376.516 3.668 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cnc3cc(Br)ccn23)CC2CCC2)CC1 ZINC001236540165 1041756836 /nfs/dbraw/zinc/75/68/36/1041756836.db2.gz IZYYZOBZZCFTPV-QAQDUYKDSA-N 2 1 391.357 3.969 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1cn(Cc2ccccc2)nn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556116 1041761363 /nfs/dbraw/zinc/76/13/63/1041761363.db2.gz RAEVRSGYGZRHNE-HCGLCNNCSA-N 2 1 389.547 3.907 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001236661309 1041809800 /nfs/dbraw/zinc/80/98/00/1041809800.db2.gz BWJYBBSXKBKQHK-QHCPKHFHSA-N 2 1 381.564 3.999 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001236694799 1041836612 /nfs/dbraw/zinc/83/66/12/1041836612.db2.gz QYFDRLZVLDOEAZ-WGSAOQKQSA-N 2 1 377.488 3.918 20 0 GHADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc(C(F)(F)F)c3Br)C[C@@H]2C1 ZINC001236727674 1041859175 /nfs/dbraw/zinc/85/91/75/1041859175.db2.gz RMSVNZNQIRPUDQ-YPMHNXCESA-N 2 1 377.248 3.851 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2ccc(-n3nccn3)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236727714 1041859493 /nfs/dbraw/zinc/85/94/93/1041859493.db2.gz YSZIBQFIMDNHMR-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccc4occc43)O2)CC1 ZINC001236736884 1041866772 /nfs/dbraw/zinc/86/67/72/1041866772.db2.gz GGPYXVSVAHCLTE-KIFXHHALSA-N 2 1 398.547 3.913 20 0 GHADMP COc1ccc(Br)nc1C[N@@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236779416 1041887032 /nfs/dbraw/zinc/88/70/32/1041887032.db2.gz IRZJKLNPTOKUMX-HDJSIYSDSA-N 2 1 384.362 3.971 20 0 GHADMP COc1ccc(Br)c(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001236780592 1041888245 /nfs/dbraw/zinc/88/82/45/1041888245.db2.gz VCLHLGDXWJOJER-HDJSIYSDSA-N 2 1 384.362 3.971 20 0 GHADMP CCC(CC)[N@@H+](Cc1cc(I)c[nH]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236789960 1041895469 /nfs/dbraw/zinc/89/54/69/1041895469.db2.gz BZBNLOJPLSOQJM-SAZUREKKSA-N 2 1 389.325 3.880 20 0 GHADMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@H]2c2ccc(C(F)(F)F)cc2)c1C ZINC001236819051 1041915073 /nfs/dbraw/zinc/91/50/73/1041915073.db2.gz LWTVZBFVIWYPKQ-SFHVURJKSA-N 2 1 379.426 3.872 20 0 GHADMP CCC[N@H+](Cc1ccc(-c2cc(C(F)(F)F)nn2C)s1)C[C@@H]1CC[NH2+]C1 ZINC001236835602 1041922875 /nfs/dbraw/zinc/92/28/75/1041922875.db2.gz NVEGPRKUKZTWIW-CYBMUJFWSA-N 2 1 386.487 3.989 20 0 GHADMP FC1(C[N@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236848094 1041927242 /nfs/dbraw/zinc/92/72/42/1041927242.db2.gz MRSQWCYSUBEWNK-UHFFFAOYSA-N 2 1 393.550 3.875 20 0 GHADMP FC1(CN2CCC3(C[NH+](C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]CC1 ZINC001236848094 1041927245 /nfs/dbraw/zinc/92/72/45/1041927245.db2.gz MRSQWCYSUBEWNK-UHFFFAOYSA-N 2 1 393.550 3.875 20 0 GHADMP C[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)C1CCN(Cc2ccccc2)CC1 ZINC001236887485 1041940779 /nfs/dbraw/zinc/94/07/79/1041940779.db2.gz LKGBGGULAGTOCR-UHFFFAOYSA-N 3 1 392.591 3.535 20 0 GHADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001237040853 1042000429 /nfs/dbraw/zinc/00/04/29/1042000429.db2.gz CBRWJOOMMOTTJO-UHFFFAOYSA-N 2 1 379.426 3.627 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1Br ZINC001237082503 1042027932 /nfs/dbraw/zinc/02/79/32/1042027932.db2.gz QULMHBAMKCKWLK-VGPLMAKISA-N 2 1 388.147 3.913 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001237390887 1042185152 /nfs/dbraw/zinc/18/51/52/1042185152.db2.gz SYWUZOUKIIHPIL-UHFFFAOYSA-N 2 1 380.492 3.653 20 0 GHADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001237410248 1042196314 /nfs/dbraw/zinc/19/63/14/1042196314.db2.gz KPJNOLPGRCNOIO-JOCHJYFZSA-N 2 1 393.531 3.610 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)cc2)CCC12C[NH2+]C2 ZINC001237430848 1042205433 /nfs/dbraw/zinc/20/54/33/1042205433.db2.gz NQNNXIKPBPOSIK-HXUWFJFHSA-N 2 1 398.934 3.982 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001237481748 1042228019 /nfs/dbraw/zinc/22/80/19/1042228019.db2.gz JOWWVXJNGZIJLL-PSWAGMNNSA-N 2 1 392.543 3.664 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001237481748 1042228020 /nfs/dbraw/zinc/22/80/20/1042228020.db2.gz JOWWVXJNGZIJLL-PSWAGMNNSA-N 2 1 392.543 3.664 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001237481748 1042228025 /nfs/dbraw/zinc/22/80/25/1042228025.db2.gz JOWWVXJNGZIJLL-PSWAGMNNSA-N 2 1 392.543 3.664 20 0 GHADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(Br)c1 ZINC001278115998 1042266524 /nfs/dbraw/zinc/26/65/24/1042266524.db2.gz CCOKWITWZUWGBL-IHWFROFDSA-N 2 1 394.401 3.528 20 0 GHADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1cccc(Br)c1 ZINC001278115998 1042266531 /nfs/dbraw/zinc/26/65/31/1042266531.db2.gz CCOKWITWZUWGBL-IHWFROFDSA-N 2 1 394.401 3.528 20 0 GHADMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(Br)c1 ZINC001278115998 1042266537 /nfs/dbraw/zinc/26/65/37/1042266537.db2.gz CCOKWITWZUWGBL-IHWFROFDSA-N 2 1 394.401 3.528 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OCC4)C[C@H]21 ZINC001237749003 1042352320 /nfs/dbraw/zinc/35/23/20/1042352320.db2.gz HSLWZTJDCHFQRD-WWPVKYPJSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCC4)C[C@H]21 ZINC001237749003 1042352325 /nfs/dbraw/zinc/35/23/25/1042352325.db2.gz HSLWZTJDCHFQRD-WWPVKYPJSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCC4)C[C@H]21 ZINC001237749003 1042352329 /nfs/dbraw/zinc/35/23/29/1042352329.db2.gz HSLWZTJDCHFQRD-WWPVKYPJSA-N 2 1 377.532 3.749 20 0 GHADMP c1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4C4CCOCC4)C[C@@H]3C2)nc1 ZINC001237901815 1042416035 /nfs/dbraw/zinc/41/60/35/1042416035.db2.gz RVIKFMNIPPMVHQ-SZPZYZBQSA-N 2 1 377.532 3.539 20 0 GHADMP Clc1cccc(Cl)c1CC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001278231880 1042593011 /nfs/dbraw/zinc/59/30/11/1042593011.db2.gz NKNIXMGKVDMUCU-UHFFFAOYSA-N 2 1 379.335 3.857 20 0 GHADMP COC(=O)C[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462638234 1070433750 /nfs/dbraw/zinc/43/37/50/1070433750.db2.gz NCQXPMATYONMGM-KIHHCIJBSA-N 2 1 392.543 3.804 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(-c4cc(N5CCCCC5)cc[nH+]4)cc3)CC2)CC1 ZINC001240572472 1042941663 /nfs/dbraw/zinc/94/16/63/1042941663.db2.gz GNVVRCBHUVFSSR-UHFFFAOYSA-N 2 1 376.548 3.975 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256484413 1043420568 /nfs/dbraw/zinc/42/05/68/1043420568.db2.gz DSEJDXJFRFHKMD-HKUYNNGSSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256522863 1043446632 /nfs/dbraw/zinc/44/66/32/1043446632.db2.gz MCQLRWAUVLCTJE-TXZRGUEPSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256522863 1043446645 /nfs/dbraw/zinc/44/66/45/1043446645.db2.gz MCQLRWAUVLCTJE-TXZRGUEPSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523358 1043447507 /nfs/dbraw/zinc/44/75/07/1043447507.db2.gz OGFDVLXUCCPQRW-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523358 1043447525 /nfs/dbraw/zinc/44/75/25/1043447525.db2.gz OGFDVLXUCCPQRW-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256525437 1043453236 /nfs/dbraw/zinc/45/32/36/1043453236.db2.gz ZJNDXJXUSIDRPH-CWJKEVGVSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256525437 1043453249 /nfs/dbraw/zinc/45/32/49/1043453249.db2.gz ZJNDXJXUSIDRPH-CWJKEVGVSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256530135 1043460714 /nfs/dbraw/zinc/46/07/14/1043460714.db2.gz KBBQDLRXKMDXRQ-WKNJGTSGSA-N 2 1 375.560 3.760 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256530135 1043460728 /nfs/dbraw/zinc/46/07/28/1043460728.db2.gz KBBQDLRXKMDXRQ-WKNJGTSGSA-N 2 1 375.560 3.760 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256530135 1043460741 /nfs/dbraw/zinc/46/07/41/1043460741.db2.gz KBBQDLRXKMDXRQ-WKNJGTSGSA-N 2 1 375.560 3.760 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534762 1043472691 /nfs/dbraw/zinc/47/26/91/1043472691.db2.gz UVYBUGJZSKJVKX-WMZHIEFXSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256534762 1043472697 /nfs/dbraw/zinc/47/26/97/1043472697.db2.gz UVYBUGJZSKJVKX-WMZHIEFXSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535249 1043476355 /nfs/dbraw/zinc/47/63/55/1043476355.db2.gz YJNXKDQLNIHKCJ-IFMALSPDSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256535249 1043476360 /nfs/dbraw/zinc/47/63/60/1043476360.db2.gz YJNXKDQLNIHKCJ-IFMALSPDSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C23CC(NC(=O)OC(C)(C)C)(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256537002 1043484589 /nfs/dbraw/zinc/48/45/89/1043484589.db2.gz KKPGQFDOJSGUGK-YILSLVNCSA-N 2 1 385.552 3.829 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C23CC(NC(=O)OC(C)(C)C)(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256537002 1043484607 /nfs/dbraw/zinc/48/46/07/1043484607.db2.gz KKPGQFDOJSGUGK-YILSLVNCSA-N 2 1 385.552 3.829 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256539469 1043487303 /nfs/dbraw/zinc/48/73/03/1043487303.db2.gz XVOXTSYEKHFDEQ-DZFGPLHGSA-N 2 1 380.532 3.986 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256539469 1043487313 /nfs/dbraw/zinc/48/73/13/1043487313.db2.gz XVOXTSYEKHFDEQ-DZFGPLHGSA-N 2 1 380.532 3.986 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256539471 1043488011 /nfs/dbraw/zinc/48/80/11/1043488011.db2.gz XVOXTSYEKHFDEQ-JRGCBEDISA-N 2 1 380.532 3.986 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256539471 1043488020 /nfs/dbraw/zinc/48/80/20/1043488020.db2.gz XVOXTSYEKHFDEQ-JRGCBEDISA-N 2 1 380.532 3.986 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541253 1043491066 /nfs/dbraw/zinc/49/10/66/1043491066.db2.gz IPMJDZLHJIXPQW-FPOVZHCZSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541253 1043491069 /nfs/dbraw/zinc/49/10/69/1043491069.db2.gz IPMJDZLHJIXPQW-FPOVZHCZSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541253 1043491081 /nfs/dbraw/zinc/49/10/81/1043491081.db2.gz IPMJDZLHJIXPQW-FPOVZHCZSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)N(C)Cc1nn([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541253 1043491090 /nfs/dbraw/zinc/49/10/90/1043491090.db2.gz IPMJDZLHJIXPQW-FPOVZHCZSA-N 2 1 395.595 3.595 20 0 GHADMP CC(C)N(C)Cc1nn([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541253 1043491099 /nfs/dbraw/zinc/49/10/99/1043491099.db2.gz IPMJDZLHJIXPQW-FPOVZHCZSA-N 2 1 395.595 3.595 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256540441 1043491476 /nfs/dbraw/zinc/49/14/76/1043491476.db2.gz HQLPXZJFQWUJFN-PBASOCQRSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256540441 1043491488 /nfs/dbraw/zinc/49/14/88/1043491488.db2.gz HQLPXZJFQWUJFN-PBASOCQRSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256540441 1043491498 /nfs/dbraw/zinc/49/14/98/1043491498.db2.gz HQLPXZJFQWUJFN-PBASOCQRSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256540441 1043491509 /nfs/dbraw/zinc/49/15/09/1043491509.db2.gz HQLPXZJFQWUJFN-PBASOCQRSA-N 2 1 385.552 3.733 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)C1=O ZINC001256552384 1043516157 /nfs/dbraw/zinc/51/61/57/1043516157.db2.gz AWGDSVZZKPGRBX-UNMCSNQZSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)C1=O ZINC001256552384 1043516168 /nfs/dbraw/zinc/51/61/68/1043516168.db2.gz AWGDSVZZKPGRBX-UNMCSNQZSA-N 2 1 383.580 3.762 20 0 GHADMP COc1ccc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001256552781 1043518394 /nfs/dbraw/zinc/51/83/94/1043518394.db2.gz DASSOJTWOXNKJQ-KNQAVFIVSA-N 2 1 394.563 3.702 20 0 GHADMP C[C@@H]1C[C@@H](N(c2ncccc2F)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552773 1043518877 /nfs/dbraw/zinc/51/88/77/1043518877.db2.gz CZMWKZVTMLLSJU-NQIIRXRSSA-N 2 1 382.527 3.832 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555332 1043525939 /nfs/dbraw/zinc/52/59/39/1043525939.db2.gz UDBULTVVPQVZJS-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555332 1043525946 /nfs/dbraw/zinc/52/59/46/1043525946.db2.gz UDBULTVVPQVZJS-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256558069 1043529697 /nfs/dbraw/zinc/52/96/97/1043529697.db2.gz PXNMBMODQWKHJO-CTNGQTDRSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256558069 1043529703 /nfs/dbraw/zinc/52/97/03/1043529703.db2.gz PXNMBMODQWKHJO-CTNGQTDRSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256558071 1043530879 /nfs/dbraw/zinc/53/08/79/1043530879.db2.gz PXNMBMODQWKHJO-PZJWPPBQSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n1 ZINC001256558071 1043530889 /nfs/dbraw/zinc/53/08/89/1043530889.db2.gz PXNMBMODQWKHJO-PZJWPPBQSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC001256558989 1043533366 /nfs/dbraw/zinc/53/33/66/1043533366.db2.gz XKBRXMREOQMGJG-FPOVZHCZSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC001256558989 1043533374 /nfs/dbraw/zinc/53/33/74/1043533374.db2.gz XKBRXMREOQMGJG-FPOVZHCZSA-N 2 1 380.536 3.681 20 0 GHADMP c1ccc(CC2CC[NH+](CCNC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC001256579052 1043550634 /nfs/dbraw/zinc/55/06/34/1043550634.db2.gz OJBLXPDFGGHTMS-UHFFFAOYSA-N 2 1 392.591 3.590 20 0 GHADMP COc1ccc(C2([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCOCC2)cc1 ZINC001256602224 1043565892 /nfs/dbraw/zinc/56/58/92/1043565892.db2.gz QRBWPUUMNSCPHL-UHFFFAOYSA-N 2 1 380.532 3.955 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C2CC2)C1 ZINC001256605244 1043568874 /nfs/dbraw/zinc/56/88/74/1043568874.db2.gz ZWLCQGDIJZHSCW-QFIPXVFZSA-N 2 1 399.579 3.886 20 0 GHADMP c1ccc(C[NH+]2CCC([NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)CC2)cc1 ZINC001256605897 1043569397 /nfs/dbraw/zinc/56/93/97/1043569397.db2.gz KZMHOBZJSLDPND-QHCPKHFHSA-N 2 1 384.564 3.701 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C1CCN(Cc2ccccc2)CC1 ZINC001256608511 1043572630 /nfs/dbraw/zinc/57/26/30/1043572630.db2.gz AANJBMDXNWMBQP-DNQXCXABSA-N 2 1 391.559 3.775 20 0 GHADMP C[N@@H+](C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001256864909 1043709577 /nfs/dbraw/zinc/70/95/77/1043709577.db2.gz MPTYKHNEEADSSJ-WOJBJXKFSA-N 2 1 388.556 3.818 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900200 1043729696 /nfs/dbraw/zinc/72/96/96/1043729696.db2.gz JISXDPYHNBATNP-TZIWHRDSSA-N 2 1 383.536 3.654 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)c2ccccc12 ZINC001256900200 1043729709 /nfs/dbraw/zinc/72/97/09/1043729709.db2.gz JISXDPYHNBATNP-TZIWHRDSSA-N 2 1 383.536 3.654 20 0 GHADMP CNC(=O)C[N@@H+](C)C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256932765 1043757712 /nfs/dbraw/zinc/75/77/12/1043757712.db2.gz WUVVHMJIHQXMQO-UHFFFAOYSA-N 2 1 379.548 3.678 20 0 GHADMP COC(=O)CC1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001256989309 1043789072 /nfs/dbraw/zinc/78/90/72/1043789072.db2.gz DJIXDXWJJDFGOM-XOUFRROXSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001256989309 1043789081 /nfs/dbraw/zinc/78/90/81/1043789081.db2.gz DJIXDXWJJDFGOM-XOUFRROXSA-N 2 1 384.564 3.952 20 0 GHADMP COC(=O)CC1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001256989309 1043789089 /nfs/dbraw/zinc/78/90/89/1043789089.db2.gz DJIXDXWJJDFGOM-XOUFRROXSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001257067549 1043828265 /nfs/dbraw/zinc/82/82/65/1043828265.db2.gz FRZLYADOGDJENG-PXNSSMCTSA-N 2 1 378.944 3.968 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001257067549 1043828283 /nfs/dbraw/zinc/82/82/83/1043828283.db2.gz FRZLYADOGDJENG-PXNSSMCTSA-N 2 1 378.944 3.968 20 0 GHADMP CC[C@H]1C[C@@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257113653 1043857408 /nfs/dbraw/zinc/85/74/08/1043857408.db2.gz IYPFXRIHXLOTHK-ROUUACIJSA-N 3 1 398.636 3.640 20 0 GHADMP CC(C)N1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001257217953 1043940109 /nfs/dbraw/zinc/94/01/09/1043940109.db2.gz SDSGDXAJWBPQPA-OAQYLSRUSA-N 2 1 375.582 3.549 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC1 ZINC001257217953 1043940117 /nfs/dbraw/zinc/94/01/17/1043940117.db2.gz SDSGDXAJWBPQPA-OAQYLSRUSA-N 2 1 375.582 3.549 20 0 GHADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257566118 1044049696 /nfs/dbraw/zinc/04/96/96/1044049696.db2.gz XDDNIABAZORSCA-JXFKEZNVSA-N 2 1 395.385 3.955 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC001257566118 1044049714 /nfs/dbraw/zinc/04/97/14/1044049714.db2.gz XDDNIABAZORSCA-JXFKEZNVSA-N 2 1 395.385 3.955 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001293470548 1044198621 /nfs/dbraw/zinc/19/86/21/1044198621.db2.gz OADOTRLCOXCCMX-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+](C)Cc1ccccc1 ZINC001293470548 1044198631 /nfs/dbraw/zinc/19/86/31/1044198631.db2.gz OADOTRLCOXCCMX-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@H+](C)Cc1ccccc1 ZINC001293470548 1044198635 /nfs/dbraw/zinc/19/86/35/1044198635.db2.gz OADOTRLCOXCCMX-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC001293470548 1044198641 /nfs/dbraw/zinc/19/86/41/1044198641.db2.gz OADOTRLCOXCCMX-CVDCTZTESA-N 2 1 397.538 3.817 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)ccc1OCC1CCOCC1 ZINC001258007983 1044334412 /nfs/dbraw/zinc/33/44/12/1044334412.db2.gz ABUFHBVJCWSXOY-UHFFFAOYSA-N 2 1 390.568 3.711 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001258012603 1044339623 /nfs/dbraw/zinc/33/96/23/1044339623.db2.gz DSBPZXRCIFVKIL-UHFFFAOYSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001258012881 1044340095 /nfs/dbraw/zinc/34/00/95/1044340095.db2.gz ZWNSCBSQDJNDIE-QFIPXVFZSA-N 2 1 389.609 3.797 20 0 GHADMP CCOC(=O)CC1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258036750 1044362709 /nfs/dbraw/zinc/36/27/09/1044362709.db2.gz CHWJTOYTNFLBDP-CIFBLZBGSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258036750 1044362720 /nfs/dbraw/zinc/36/27/20/1044362720.db2.gz CHWJTOYTNFLBDP-CIFBLZBGSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258036750 1044362732 /nfs/dbraw/zinc/36/27/32/1044362732.db2.gz CHWJTOYTNFLBDP-CIFBLZBGSA-N 2 1 384.564 3.952 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258066534 1044377951 /nfs/dbraw/zinc/37/79/51/1044377951.db2.gz REBFFOYPWMRWJA-MYDTUXCISA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258066534 1044377966 /nfs/dbraw/zinc/37/79/66/1044377966.db2.gz REBFFOYPWMRWJA-MYDTUXCISA-N 2 1 379.633 3.708 20 0 GHADMP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258066534 1044377979 /nfs/dbraw/zinc/37/79/79/1044377979.db2.gz REBFFOYPWMRWJA-MYDTUXCISA-N 2 1 379.633 3.708 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1)C1CCCC1 ZINC001258137170 1044422107 /nfs/dbraw/zinc/42/21/07/1044422107.db2.gz CGFUJQURICTUHX-YHBQERECSA-N 2 1 397.607 3.901 20 0 GHADMP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCn4ccnc4)CC[C@@H]3C2)s1 ZINC001279077973 1044427510 /nfs/dbraw/zinc/42/75/10/1044427510.db2.gz XSEUHQGYDRQIIV-CALCHBBNSA-N 2 1 376.595 3.511 20 0 GHADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)s1 ZINC001279077973 1044427512 /nfs/dbraw/zinc/42/75/12/1044427512.db2.gz XSEUHQGYDRQIIV-CALCHBBNSA-N 2 1 376.595 3.511 20 0 GHADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)s1 ZINC001279077973 1044427522 /nfs/dbraw/zinc/42/75/22/1044427522.db2.gz XSEUHQGYDRQIIV-CALCHBBNSA-N 2 1 376.595 3.511 20 0 GHADMP C[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@]1(O)C(F)(F)F ZINC001258141265 1044427611 /nfs/dbraw/zinc/42/76/11/1044427611.db2.gz XDDYLUPZRHXSNP-FXAWDEMLSA-N 2 1 384.486 3.719 20 0 GHADMP C[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@]1(O)C(F)(F)F ZINC001258141265 1044427616 /nfs/dbraw/zinc/42/76/16/1044427616.db2.gz XDDYLUPZRHXSNP-FXAWDEMLSA-N 2 1 384.486 3.719 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)CC2)cc1 ZINC001258146069 1044435379 /nfs/dbraw/zinc/43/53/79/1044435379.db2.gz QYQDLRVKZXQDGC-AZGAKELHSA-N 2 1 389.587 3.900 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001258149287 1044439060 /nfs/dbraw/zinc/43/90/60/1044439060.db2.gz HYPRODJVDQXKEP-RPWUZVMVSA-N 2 1 392.543 3.582 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001258149287 1044439065 /nfs/dbraw/zinc/43/90/65/1044439065.db2.gz HYPRODJVDQXKEP-RPWUZVMVSA-N 2 1 392.543 3.582 20 0 GHADMP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258171898 1044453159 /nfs/dbraw/zinc/45/31/59/1044453159.db2.gz DOPRVHWSPWSBKQ-KRWDZBQOSA-N 2 1 391.556 3.664 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H](C)Cc1ccco1)CC2 ZINC001258188497 1044461179 /nfs/dbraw/zinc/46/11/79/1044461179.db2.gz LBSHSKHKHANRTA-CTNGQTDRSA-N 2 1 383.536 3.609 20 0 GHADMP C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001258313148 1044502033 /nfs/dbraw/zinc/50/20/33/1044502033.db2.gz SVVAQADWWFJMDA-YZGWKJHDSA-N 2 1 379.614 3.780 20 0 GHADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001258358056 1044522042 /nfs/dbraw/zinc/52/20/42/1044522042.db2.gz MPVNEIRTGHEEQA-VJBMBRPKSA-N 2 1 380.532 3.976 20 0 GHADMP CCCC[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001294215843 1044529077 /nfs/dbraw/zinc/52/90/77/1044529077.db2.gz VVMJFASNVHRQHZ-PMACEKPBSA-N 2 1 390.620 3.588 20 0 GHADMP O=C1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC001258568096 1044646918 /nfs/dbraw/zinc/64/69/18/1044646918.db2.gz IYMSFTWJSDGITE-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258767905 1044755571 /nfs/dbraw/zinc/75/55/71/1044755571.db2.gz ONZMYYUHWFFYFH-UHFFFAOYSA-N 2 1 387.568 3.944 20 0 GHADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC001258863245 1044803768 /nfs/dbraw/zinc/80/37/68/1044803768.db2.gz ZFRVYSJKJMUHPJ-PXNSSMCTSA-N 2 1 390.568 3.888 20 0 GHADMP COc1cc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)cc(OC)c1OC ZINC001258863245 1044803776 /nfs/dbraw/zinc/80/37/76/1044803776.db2.gz ZFRVYSJKJMUHPJ-PXNSSMCTSA-N 2 1 390.568 3.888 20 0 GHADMP COc1cc(C[C@H](C)N(c2[nH+]cccc2C)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001258877123 1044826712 /nfs/dbraw/zinc/82/67/12/1044826712.db2.gz SSRJAPIGZCGEIV-KRWDZBQOSA-N 2 1 399.535 3.605 20 0 GHADMP CCOC[C@H]1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2nn(CC3CC3)cc21 ZINC001258909020 1044860765 /nfs/dbraw/zinc/86/07/65/1044860765.db2.gz BTZCGKFRSWRBOR-AZUAARDMSA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2nn(CC3CC3)cc21 ZINC001258909020 1044860782 /nfs/dbraw/zinc/86/07/82/1044860782.db2.gz BTZCGKFRSWRBOR-AZUAARDMSA-N 2 1 376.589 3.739 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C[C@@H]2C1 ZINC001262378683 1046254346 /nfs/dbraw/zinc/25/43/46/1046254346.db2.gz IKQHUFDJZYLFCR-SOUVJXGZSA-N 2 1 380.558 3.652 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001302340276 1046914727 /nfs/dbraw/zinc/91/47/27/1046914727.db2.gz OMBWCMHSQLHTAM-QHCPKHFHSA-N 2 1 385.596 3.915 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716833 1047116731 /nfs/dbraw/zinc/11/67/31/1047116731.db2.gz CXXZTDIWINTJEK-CTNGQTDRSA-N 2 1 388.939 3.582 20 0 GHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(OC(F)F)c(OC(F)F)c1)CC2 ZINC001279116655 1047724085 /nfs/dbraw/zinc/72/40/85/1047724085.db2.gz NMOGVPKVSRLCLH-UHFFFAOYSA-N 2 1 376.394 3.807 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)nc3NC(=O)C(C)(C)C)(C1)CCC2 ZINC001279261301 1047751295 /nfs/dbraw/zinc/75/12/95/1047751295.db2.gz NVLYFWWDXFZLNQ-VQTJNVASSA-N 2 1 378.948 3.874 20 0 GHADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccsc2)cs1 ZINC001279341492 1047774012 /nfs/dbraw/zinc/77/40/12/1047774012.db2.gz POKVWALRLOUAND-AYHJJNSGSA-N 2 1 389.590 3.650 20 0 GHADMP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccsc2)cs1 ZINC001279341492 1047774018 /nfs/dbraw/zinc/77/40/18/1047774018.db2.gz POKVWALRLOUAND-AYHJJNSGSA-N 2 1 389.590 3.650 20 0 GHADMP COc1ccc(Cl)c(C[NH+]2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001279659515 1047901799 /nfs/dbraw/zinc/90/17/99/1047901799.db2.gz VKYKKGQOTQBPET-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1ccc(Cl)c(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)c1 ZINC001279659515 1047901812 /nfs/dbraw/zinc/90/18/12/1047901812.db2.gz VKYKKGQOTQBPET-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(O)cc(F)c1)CC2 ZINC001279705753 1047924943 /nfs/dbraw/zinc/92/49/43/1047924943.db2.gz BLNOXLLNALZGCB-UHFFFAOYSA-N 2 1 375.513 3.784 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001280009205 1048046376 /nfs/dbraw/zinc/04/63/76/1048046376.db2.gz LJNFNUFTYPQCFN-OXQOHEQNSA-N 2 1 398.378 3.616 20 0 GHADMP Cc1cc(F)cc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001280229023 1048138100 /nfs/dbraw/zinc/13/81/00/1048138100.db2.gz UZBNKWVABNDMAR-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1cc(F)cc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001280229023 1048138105 /nfs/dbraw/zinc/13/81/05/1048138105.db2.gz UZBNKWVABNDMAR-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1cc(F)cc(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001280229023 1048138108 /nfs/dbraw/zinc/13/81/08/1048138108.db2.gz UZBNKWVABNDMAR-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP NC(=O)CCCCC[N@H+]1CCC[C@@]2(CCCN(CCCC(F)(F)F)C2)C1 ZINC001280280070 1048159120 /nfs/dbraw/zinc/15/91/20/1048159120.db2.gz IVZFNMYDLLTLGV-GOSISDBHSA-N 2 1 377.495 3.553 20 0 GHADMP NC(=O)CCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280280070 1048159123 /nfs/dbraw/zinc/15/91/23/1048159123.db2.gz IVZFNMYDLLTLGV-GOSISDBHSA-N 2 1 377.495 3.553 20 0 GHADMP NC(=O)CCCCC[N@H+]1CCC[C@@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280280070 1048159133 /nfs/dbraw/zinc/15/91/33/1048159133.db2.gz IVZFNMYDLLTLGV-GOSISDBHSA-N 2 1 377.495 3.553 20 0 GHADMP NC(=O)CCCCC[NH+]1CCC[C@@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280280070 1048159139 /nfs/dbraw/zinc/15/91/39/1048159139.db2.gz IVZFNMYDLLTLGV-GOSISDBHSA-N 2 1 377.495 3.553 20 0 GHADMP NC(=O)CCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280280070 1048159145 /nfs/dbraw/zinc/15/91/45/1048159145.db2.gz IVZFNMYDLLTLGV-GOSISDBHSA-N 2 1 377.495 3.553 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001306885182 1048943750 /nfs/dbraw/zinc/94/37/50/1048943750.db2.gz MFAMGCIRINMDKG-QHCPKHFHSA-N 2 1 379.548 3.923 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001287926202 1048949149 /nfs/dbraw/zinc/94/91/49/1048949149.db2.gz XVKPQQDMJWIPMJ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001287926202 1048949151 /nfs/dbraw/zinc/94/91/51/1048949151.db2.gz XVKPQQDMJWIPMJ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001287926202 1048949155 /nfs/dbraw/zinc/94/91/55/1048949155.db2.gz XVKPQQDMJWIPMJ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307485052 1049325162 /nfs/dbraw/zinc/32/51/62/1049325162.db2.gz BGZLGAJUJPHQSN-CVDCTZTESA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cn2c(nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)cc2=O)s1 ZINC001307532162 1049377739 /nfs/dbraw/zinc/37/77/39/1049377739.db2.gz ZPMUOUOYYQEWSJ-MRXNPFEDSA-N 2 1 388.581 3.541 20 0 GHADMP Cc1cn2c(nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)cc2=O)s1 ZINC001307532162 1049377750 /nfs/dbraw/zinc/37/77/50/1049377750.db2.gz ZPMUOUOYYQEWSJ-MRXNPFEDSA-N 2 1 388.581 3.541 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)C2CCCCC2)CC1 ZINC001307737574 1049549168 /nfs/dbraw/zinc/54/91/68/1049549168.db2.gz RFAHTZYWNZXLSZ-NRFANRHFSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)C2CCCCC2)CC1 ZINC001307737574 1049549182 /nfs/dbraw/zinc/54/91/82/1049549182.db2.gz RFAHTZYWNZXLSZ-NRFANRHFSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)C2CCCCC2)CC1 ZINC001307737574 1049549196 /nfs/dbraw/zinc/54/91/96/1049549196.db2.gz RFAHTZYWNZXLSZ-NRFANRHFSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)c1cccc(C(F)(F)F)c1 ZINC001289851200 1049657688 /nfs/dbraw/zinc/65/76/88/1049657688.db2.gz QVFJNSISMODAOX-AITUJVMLSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H](CSc1ccccc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307907304 1049684903 /nfs/dbraw/zinc/68/49/03/1049684903.db2.gz KSWXAILUQFBQTH-RXVVDRJESA-N 2 1 385.577 3.518 20 0 GHADMP C[C@@H](CSc1ccccc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307907304 1049684905 /nfs/dbraw/zinc/68/49/05/1049684905.db2.gz KSWXAILUQFBQTH-RXVVDRJESA-N 2 1 385.577 3.518 20 0 GHADMP Cc1cc(Br)ccc1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001308152253 1049887970 /nfs/dbraw/zinc/88/79/70/1049887970.db2.gz XQLDZTPNROPKQN-UHFFFAOYSA-N 2 1 381.358 3.570 20 0 GHADMP CC(C)Cc1ncc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC001308196328 1049908930 /nfs/dbraw/zinc/90/89/30/1049908930.db2.gz GBDYRKZQXBWMFD-NRFANRHFSA-N 2 1 386.609 3.810 20 0 GHADMP CC(C)[C@@H](C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC001308199337 1049909611 /nfs/dbraw/zinc/90/96/11/1049909611.db2.gz QLSMWAIBJYSQQF-GSVIPDFHSA-N 2 1 379.589 3.732 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(CC(F)(F)F)cc3)cc2)CC1 ZINC001308199937 1049910394 /nfs/dbraw/zinc/91/03/94/1049910394.db2.gz GKRGTJRFZYTTAO-UHFFFAOYSA-N 2 1 391.481 3.829 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(OC)c1OC ZINC001308281583 1049936318 /nfs/dbraw/zinc/93/63/18/1049936318.db2.gz ADGRVJFOOBRAPC-UZLBHIALSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(OC)c1OC ZINC001308281583 1049936320 /nfs/dbraw/zinc/93/63/20/1049936320.db2.gz ADGRVJFOOBRAPC-UZLBHIALSA-N 2 1 390.549 3.947 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2sccc2Br)CC1 ZINC001308299501 1049942485 /nfs/dbraw/zinc/94/24/85/1049942485.db2.gz HSXULKUTTHYLKL-UHFFFAOYSA-N 2 1 395.366 3.757 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC001308338637 1049952699 /nfs/dbraw/zinc/95/26/99/1049952699.db2.gz BJWMJXFXAHLZCW-INIZCTEOSA-N 2 1 386.321 3.749 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c(C(F)(F)F)nc3n2CCCC3)cc1 ZINC001308742228 1050077232 /nfs/dbraw/zinc/07/72/32/1050077232.db2.gz AQMGBZZEKRBFQW-UHFFFAOYSA-N 2 1 380.458 3.932 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c(C(F)(F)F)nc3n2CCCC3)cc1 ZINC001308742228 1050077239 /nfs/dbraw/zinc/07/72/39/1050077239.db2.gz AQMGBZZEKRBFQW-UHFFFAOYSA-N 2 1 380.458 3.932 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001308914125 1050162541 /nfs/dbraw/zinc/16/25/41/1050162541.db2.gz LIBKSTAUXJSDDB-INIZCTEOSA-N 2 1 377.520 3.733 20 0 GHADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308941786 1050202787 /nfs/dbraw/zinc/20/27/87/1050202787.db2.gz AZYQZOZZTHKJPL-SIKLNZKXSA-N 2 1 380.532 3.891 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001330236712 1050982767 /nfs/dbraw/zinc/98/27/67/1050982767.db2.gz MOZUZKMQOKAOGP-XLIONFOSSA-N 2 1 392.613 3.647 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC001311080159 1051837355 /nfs/dbraw/zinc/83/73/55/1051837355.db2.gz FEJQYCCYEYUKTO-UHFFFAOYSA-N 2 1 395.551 3.697 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001311396382 1052090880 /nfs/dbraw/zinc/09/08/80/1052090880.db2.gz NMXGZKTUYZWNGN-UGKGYDQZSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)CC1)CC(C)C ZINC001311401027 1052103066 /nfs/dbraw/zinc/10/30/66/1052103066.db2.gz ORZLPNLFHLYHFR-HXUWFJFHSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1)CC(C)C ZINC001311401027 1052103076 /nfs/dbraw/zinc/10/30/76/1052103076.db2.gz ORZLPNLFHLYHFR-HXUWFJFHSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1)CC(C)C ZINC001311401027 1052103087 /nfs/dbraw/zinc/10/30/87/1052103087.db2.gz ORZLPNLFHLYHFR-HXUWFJFHSA-N 2 1 380.621 3.508 20 0 GHADMP C[C@@H](CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001311403786 1052107165 /nfs/dbraw/zinc/10/71/65/1052107165.db2.gz LPPRVVRKPFZDNP-NJYVYQBISA-N 2 1 388.600 3.564 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001311587390 1052266563 /nfs/dbraw/zinc/26/65/63/1052266563.db2.gz AKRDYSCLXMKSEB-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC001311688347 1052331159 /nfs/dbraw/zinc/33/11/59/1052331159.db2.gz KBSPSRVDNBSNBG-JAXLGGSGSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC001311889376 1052459900 /nfs/dbraw/zinc/45/99/00/1052459900.db2.gz ZXEQCNVLXVEYOP-IBGZPJMESA-N 2 1 380.621 3.649 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001312118457 1052583115 /nfs/dbraw/zinc/58/31/15/1052583115.db2.gz GRYUBBRYFSGCRE-YPAWHYETSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001312674915 1052833383 /nfs/dbraw/zinc/83/33/83/1052833383.db2.gz LVNCZTHBRQFXQD-LJQANCHMSA-N 2 1 380.964 3.508 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1CC[NH+](C2CCC2)CC1)Cc1ccccc1 ZINC001312966512 1052922641 /nfs/dbraw/zinc/92/26/41/1052922641.db2.gz FMJMJABWFWKQCZ-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP CC(C)N(CC[NH+](C)C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001313248489 1052996091 /nfs/dbraw/zinc/99/60/91/1052996091.db2.gz XMZQMRYRBCHXME-UHFFFAOYSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ncoc3C3CC[NH2+]CC3)cc2)C1 ZINC001343372833 1053732181 /nfs/dbraw/zinc/73/21/81/1053732181.db2.gz ZQPDQKSYLITKJL-MRXNPFEDSA-N 2 1 382.508 3.626 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC001318671472 1054788390 /nfs/dbraw/zinc/78/83/90/1054788390.db2.gz KUPBRQLNSCBQIG-XLIONFOSSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001319995417 1055585074 /nfs/dbraw/zinc/58/50/74/1055585074.db2.gz OSCYNHSHDRRKDC-NFBKMPQASA-N 2 1 383.580 3.937 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001319995417 1055585086 /nfs/dbraw/zinc/58/50/86/1055585086.db2.gz OSCYNHSHDRRKDC-NFBKMPQASA-N 2 1 383.580 3.937 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c(C)c1OC ZINC001321857478 1056421796 /nfs/dbraw/zinc/42/17/96/1056421796.db2.gz OCTVIFGVNLSZBU-IBGZPJMESA-N 2 1 397.563 3.610 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001322075656 1056505940 /nfs/dbraw/zinc/50/59/40/1056505940.db2.gz WGRGRTQBKXBHAV-PKTZIBPZSA-N 2 1 383.580 3.684 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001323003279 1056906208 /nfs/dbraw/zinc/90/62/08/1056906208.db2.gz LSSKKAGIMHERRN-VXKWHMMOSA-N 2 1 390.462 3.561 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC001323003279 1056906210 /nfs/dbraw/zinc/90/62/10/1056906210.db2.gz LSSKKAGIMHERRN-VXKWHMMOSA-N 2 1 390.462 3.561 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001323154361 1056930847 /nfs/dbraw/zinc/93/08/47/1056930847.db2.gz JIJYSVRGILOYQP-NSISKUIASA-N 2 1 395.950 3.853 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001323154361 1056930853 /nfs/dbraw/zinc/93/08/53/1056930853.db2.gz JIJYSVRGILOYQP-NSISKUIASA-N 2 1 395.950 3.853 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001323154361 1056930855 /nfs/dbraw/zinc/93/08/55/1056930855.db2.gz JIJYSVRGILOYQP-NSISKUIASA-N 2 1 395.950 3.853 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC001355311659 1057115808 /nfs/dbraw/zinc/11/58/08/1057115808.db2.gz UJRFWQXFIKAWJM-QPPBQGQZSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001355311659 1057115811 /nfs/dbraw/zinc/11/58/11/1057115811.db2.gz UJRFWQXFIKAWJM-QPPBQGQZSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001355311659 1057115815 /nfs/dbraw/zinc/11/58/15/1057115815.db2.gz UJRFWQXFIKAWJM-QPPBQGQZSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@]1(CO)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@](C)(CO)C3)c2)C1 ZINC001324425160 1057130713 /nfs/dbraw/zinc/13/07/13/1057130713.db2.gz QXONGSTYYJJANX-VXKWHMMOSA-N 2 1 394.987 3.529 20 0 GHADMP C[C@@]1(CO)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@](C)(CO)C3)c2)C1 ZINC001324425155 1057130782 /nfs/dbraw/zinc/13/07/82/1057130782.db2.gz QXONGSTYYJJANX-FGZHOGPDSA-N 2 1 394.987 3.529 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001324653978 1057191298 /nfs/dbraw/zinc/19/12/98/1057191298.db2.gz DTFJLFKXFSIDDT-UHFFFAOYSA-N 2 1 375.476 3.548 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC001325963192 1057388691 /nfs/dbraw/zinc/38/86/91/1057388691.db2.gz CUPIYQGPTLHQEF-QFIPXVFZSA-N 2 1 379.548 3.756 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cn2)cc1 ZINC001326202886 1057432405 /nfs/dbraw/zinc/43/24/05/1057432405.db2.gz WZZMMTUBWANHNU-UHFFFAOYSA-N 2 1 392.469 3.916 20 0 GHADMP C[S@@](=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC001326344531 1057462147 /nfs/dbraw/zinc/46/21/47/1057462147.db2.gz TZSPEPNVUPVUKC-HHHXNRCGSA-N 2 1 382.573 3.912 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000849059840 1057570645 /nfs/dbraw/zinc/57/06/45/1057570645.db2.gz RCKVCRAALAAOSL-SFHVURJKSA-N 2 1 391.991 3.641 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCc2ccc(C3CC3)cc2)CC1 ZINC001356615801 1057573231 /nfs/dbraw/zinc/57/32/31/1057573231.db2.gz GLPVMTOZSOFHAO-UHFFFAOYSA-N 2 1 378.520 3.672 20 0 GHADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000849063295 1057574619 /nfs/dbraw/zinc/57/46/19/1057574619.db2.gz BQNDQWXUTOCQFP-IBGZPJMESA-N 2 1 394.519 3.696 20 0 GHADMP C[NH+](C)C1(CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)Cc2ccccc2C1 ZINC000849083763 1057585606 /nfs/dbraw/zinc/58/56/06/1057585606.db2.gz HTWHQZPAIKPBMP-UHFFFAOYSA-N 2 1 392.425 3.621 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)CC2)cc1 ZINC001440862875 1058637302 /nfs/dbraw/zinc/63/73/02/1058637302.db2.gz GWLAIBWZOOZVBG-UHFFFAOYSA-N 2 1 381.520 3.532 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccsc1 ZINC001441003974 1058672431 /nfs/dbraw/zinc/67/24/31/1058672431.db2.gz HPYCFAQYQSZLPR-SFTDATJTSA-N 2 1 397.588 3.769 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001441348441 1058757592 /nfs/dbraw/zinc/75/75/92/1058757592.db2.gz AHFFKXSXIOPMMM-WMZHIEFXSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001441348441 1058757610 /nfs/dbraw/zinc/75/76/10/1058757610.db2.gz AHFFKXSXIOPMMM-WMZHIEFXSA-N 2 1 383.580 3.942 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001441348441 1058757626 /nfs/dbraw/zinc/75/76/26/1058757626.db2.gz AHFFKXSXIOPMMM-WMZHIEFXSA-N 2 1 383.580 3.942 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)c2)CC1 ZINC001446247894 1059735954 /nfs/dbraw/zinc/73/59/54/1059735954.db2.gz VGMHZYIQXBYDKQ-QFIPXVFZSA-N 2 1 395.551 3.703 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)c2)CC1 ZINC001446247894 1059735970 /nfs/dbraw/zinc/73/59/70/1059735970.db2.gz VGMHZYIQXBYDKQ-QFIPXVFZSA-N 2 1 395.551 3.703 20 0 GHADMP Cc1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)ccc1OCC[NH+](C)C ZINC001451132469 1060741716 /nfs/dbraw/zinc/74/17/16/1060741716.db2.gz LRYNRFKDLIEUHZ-FQEVSTJZSA-N 2 1 389.927 3.830 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001454122561 1061615337 /nfs/dbraw/zinc/61/53/37/1061615337.db2.gz SUGNSIHWZJEVPK-PKTZIBPZSA-N 2 1 397.607 3.915 20 0 GHADMP CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)(c2ccccc2)CC1 ZINC001454459903 1061789252 /nfs/dbraw/zinc/78/92/52/1061789252.db2.gz MECPRYODXFSSKI-HSZRJFAPSA-N 2 1 391.559 3.522 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC001435321318 1062508164 /nfs/dbraw/zinc/50/81/64/1062508164.db2.gz ALSIJWORPQJRKM-NEWJYFPISA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC001459424600 1064095489 /nfs/dbraw/zinc/09/54/89/1064095489.db2.gz RNJCPQZGMSEGGJ-TXTKFYIRSA-N 2 1 379.548 3.501 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H](C)c1ccccc1 ZINC001459424600 1064095502 /nfs/dbraw/zinc/09/55/02/1064095502.db2.gz RNJCPQZGMSEGGJ-TXTKFYIRSA-N 2 1 379.548 3.501 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H](C)c1ccccc1 ZINC001459424600 1064095511 /nfs/dbraw/zinc/09/55/11/1064095511.db2.gz RNJCPQZGMSEGGJ-TXTKFYIRSA-N 2 1 379.548 3.501 20 0 GHADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c(C)cc1I ZINC001459617042 1064145232 /nfs/dbraw/zinc/14/52/32/1064145232.db2.gz WHVXLUBEFQTZAS-ZBFHGGJFSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)cc1I ZINC001459617042 1064145234 /nfs/dbraw/zinc/14/52/34/1064145234.db2.gz WHVXLUBEFQTZAS-ZBFHGGJFSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)cc1I ZINC001459617042 1064145235 /nfs/dbraw/zinc/14/52/35/1064145235.db2.gz WHVXLUBEFQTZAS-ZBFHGGJFSA-N 2 1 386.321 3.823 20 0 GHADMP OC[C@@H]1c2ccccc2CC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001459719084 1064185631 /nfs/dbraw/zinc/18/56/31/1064185631.db2.gz OMMSYEREDCOACS-RUZDIDTESA-N 2 1 378.560 3.923 20 0 GHADMP OC[C@@H]1c2ccccc2CC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001459719084 1064185636 /nfs/dbraw/zinc/18/56/36/1064185636.db2.gz OMMSYEREDCOACS-RUZDIDTESA-N 2 1 378.560 3.923 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCC[C@H]1C ZINC001459956103 1064302433 /nfs/dbraw/zinc/30/24/33/1064302433.db2.gz WSXILLGEGWABOS-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H]1CCCC[C@H]1C ZINC001459956103 1064302454 /nfs/dbraw/zinc/30/24/54/1064302454.db2.gz WSXILLGEGWABOS-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H]1CCCC[C@H]1C ZINC001459956103 1064302479 /nfs/dbraw/zinc/30/24/79/1064302479.db2.gz WSXILLGEGWABOS-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4coc(C)n4)cc3)CC2)CC1 ZINC000847314943 1065040796 /nfs/dbraw/zinc/04/07/96/1065040796.db2.gz BGTYXMKBHRADIG-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1CC[NH+]1C1CCCC1 ZINC001464847009 1065242373 /nfs/dbraw/zinc/24/23/73/1065242373.db2.gz PUEMMGAQHOEPGX-RTWAWAEBSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1CC[NH+]1C1CCCC1 ZINC001464847009 1065242386 /nfs/dbraw/zinc/24/23/86/1065242386.db2.gz PUEMMGAQHOEPGX-RTWAWAEBSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001464847009 1065242400 /nfs/dbraw/zinc/24/24/00/1065242400.db2.gz PUEMMGAQHOEPGX-RTWAWAEBSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001464847009 1065242414 /nfs/dbraw/zinc/24/24/14/1065242414.db2.gz PUEMMGAQHOEPGX-RTWAWAEBSA-N 2 1 389.971 3.828 20 0 GHADMP CN(CCC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C(=O)OC(C)(C)C ZINC001200204343 1065576427 /nfs/dbraw/zinc/57/64/27/1065576427.db2.gz PJSCKEBRXNQMRY-UHFFFAOYSA-N 2 1 377.573 3.991 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC001465574078 1065723850 /nfs/dbraw/zinc/72/38/50/1065723850.db2.gz ZMYXEMJKOFCWFX-INIZCTEOSA-N 2 1 391.947 3.524 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC001465574078 1065723862 /nfs/dbraw/zinc/72/38/62/1065723862.db2.gz ZMYXEMJKOFCWFX-INIZCTEOSA-N 2 1 391.947 3.524 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(C)[nH+]1 ZINC001465885791 1065911072 /nfs/dbraw/zinc/91/10/72/1065911072.db2.gz PNNFAULDDZNJRY-HXUWFJFHSA-N 2 1 378.520 3.544 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(C)[nH+]1 ZINC001465885791 1065911076 /nfs/dbraw/zinc/91/10/76/1065911076.db2.gz PNNFAULDDZNJRY-HXUWFJFHSA-N 2 1 378.520 3.544 20 0 GHADMP C[NH+]1CCC(N(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)CC1 ZINC001357398963 1067082429 /nfs/dbraw/zinc/08/24/29/1067082429.db2.gz LQMHFXQEBXBMMJ-OAQYLSRUSA-N 2 1 377.532 3.636 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)NCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001477608500 1078489954 /nfs/dbraw/zinc/48/99/54/1078489954.db2.gz DNHVRFTVCRHZFQ-JWEZTNTCSA-N 2 1 392.632 3.649 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001477657459 1078512172 /nfs/dbraw/zinc/51/21/72/1078512172.db2.gz WVTMRRWQMNRSCB-FXAWDEMLSA-N 2 1 394.991 3.724 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001467740474 1067445160 /nfs/dbraw/zinc/44/51/60/1067445160.db2.gz ORUGBOVNFPQRGG-NRFANRHFSA-N 2 1 392.632 3.987 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3cccc(Cl)c3s2)CC1 ZINC001358318739 1067478815 /nfs/dbraw/zinc/47/88/15/1067478815.db2.gz DDNJAILZRIVKAI-UHFFFAOYSA-N 2 1 386.908 3.954 20 0 GHADMP CC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001468028629 1067572446 /nfs/dbraw/zinc/57/24/46/1067572446.db2.gz ZYZLNCZLLDHUCT-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001468176246 1067621011 /nfs/dbraw/zinc/62/10/11/1067621011.db2.gz QXHYJGFNKCBRGC-RBBKRZOGSA-N 2 1 388.600 3.879 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001468175646 1067621078 /nfs/dbraw/zinc/62/10/78/1067621078.db2.gz OSGYHFWJFSSMBU-QTEQDKRBSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001477797864 1078571171 /nfs/dbraw/zinc/57/11/71/1078571171.db2.gz HMDPDKZLGKUPNW-QFIPXVFZSA-N 2 1 392.632 3.939 20 0 GHADMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)Nc1cccc2c1CCCC2 ZINC000849103942 1067729212 /nfs/dbraw/zinc/72/92/12/1067729212.db2.gz HAWGOLDCVDUSTQ-OAQYLSRUSA-N 2 1 392.547 3.793 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC001469185631 1068016990 /nfs/dbraw/zinc/01/69/90/1068016990.db2.gz UXEPKGZWGGCBQX-SFTDATJTSA-N 2 1 388.600 3.800 20 0 GHADMP CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC001469351726 1068118254 /nfs/dbraw/zinc/11/82/54/1068118254.db2.gz MJQLEFZHFDXTSB-BVSLBCMMSA-N 2 1 388.600 3.878 20 0 GHADMP CC(C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC[N@H+](C)C(C)C ZINC001359698835 1068141459 /nfs/dbraw/zinc/14/14/59/1068141459.db2.gz MHPSLOABRUPOLQ-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC(C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001359716164 1068152420 /nfs/dbraw/zinc/15/24/20/1068152420.db2.gz XYMXFJVBHADIMF-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460627045 1069039975 /nfs/dbraw/zinc/03/99/75/1069039975.db2.gz NMCVKXSKHVPKGY-FQEVSTJZSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)C[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC001460673546 1069076211 /nfs/dbraw/zinc/07/62/11/1069076211.db2.gz XECXOZPRRYTNAY-IBGZPJMESA-N 2 1 386.502 3.909 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1 ZINC001478378747 1078841245 /nfs/dbraw/zinc/84/12/45/1078841245.db2.gz ZIBXJWBMBCLSFD-IRSIHTCSSA-N 2 1 398.595 3.715 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1 ZINC001478378747 1078841247 /nfs/dbraw/zinc/84/12/47/1078841247.db2.gz ZIBXJWBMBCLSFD-IRSIHTCSSA-N 2 1 398.595 3.715 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@]3(C)C3CCCCC3)cc2)CC1 ZINC001460688970 1069087950 /nfs/dbraw/zinc/08/79/50/1069087950.db2.gz XZCCQLUHSDEQHU-DEOSSOPVSA-N 2 1 398.595 3.812 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001478538371 1078909385 /nfs/dbraw/zinc/90/93/85/1078909385.db2.gz PRNKXVQMRVULAG-OAQYLSRUSA-N 2 1 378.605 3.691 20 0 GHADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001478538955 1078910332 /nfs/dbraw/zinc/91/03/32/1078910332.db2.gz WDBRNMLFNOKOJT-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCN(C(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001478590798 1078928183 /nfs/dbraw/zinc/92/81/83/1078928183.db2.gz JRWLRUMDDBDQAD-OIBXWCBGSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001478590798 1078928184 /nfs/dbraw/zinc/92/81/84/1078928184.db2.gz JRWLRUMDDBDQAD-OIBXWCBGSA-N 2 1 398.595 3.870 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC001470653959 1072672739 /nfs/dbraw/zinc/67/27/39/1072672739.db2.gz PLPCABNANFOMJO-XABBQPORSA-N 2 1 390.616 3.545 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1C[C@@H](C)[NH+](CC)C[C@@H]1C)Cc1ccccc1 ZINC001470719182 1072703988 /nfs/dbraw/zinc/70/39/88/1072703988.db2.gz ULNXGZCSIOPOOM-RTWAWAEBSA-N 2 1 388.600 3.803 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)Cc1ccccc1 ZINC001470719182 1072703998 /nfs/dbraw/zinc/70/39/98/1072703998.db2.gz ULNXGZCSIOPOOM-RTWAWAEBSA-N 2 1 388.600 3.803 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)Cc1ccccc1 ZINC001470719182 1072704004 /nfs/dbraw/zinc/70/40/04/1072704004.db2.gz ULNXGZCSIOPOOM-RTWAWAEBSA-N 2 1 388.600 3.803 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001479001103 1079058812 /nfs/dbraw/zinc/05/88/12/1079058812.db2.gz LNCUUEWWEMTARB-FQEVSTJZSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001479001103 1079058815 /nfs/dbraw/zinc/05/88/15/1079058815.db2.gz LNCUUEWWEMTARB-FQEVSTJZSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001479001103 1079058822 /nfs/dbraw/zinc/05/88/22/1079058822.db2.gz LNCUUEWWEMTARB-FQEVSTJZSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC001473170437 1073828499 /nfs/dbraw/zinc/82/84/99/1073828499.db2.gz NKWDHCZZZLIMSW-SLFFLAALSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC001473170437 1073828504 /nfs/dbraw/zinc/82/85/04/1073828504.db2.gz NKWDHCZZZLIMSW-SLFFLAALSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC001473170437 1073828512 /nfs/dbraw/zinc/82/85/12/1073828512.db2.gz NKWDHCZZZLIMSW-SLFFLAALSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC001473170437 1073828518 /nfs/dbraw/zinc/82/85/18/1073828518.db2.gz NKWDHCZZZLIMSW-SLFFLAALSA-N 2 1 394.987 3.975 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740168 1074118118 /nfs/dbraw/zinc/11/81/18/1074118118.db2.gz BSUNZSSXOOXAOE-UEVCKROQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740168 1074118121 /nfs/dbraw/zinc/11/81/21/1074118121.db2.gz BSUNZSSXOOXAOE-UEVCKROQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C2CCC2)CC1 ZINC001473740168 1074118123 /nfs/dbraw/zinc/11/81/23/1074118123.db2.gz BSUNZSSXOOXAOE-UEVCKROQSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)c2cccs2)CC1 ZINC001473914468 1074201408 /nfs/dbraw/zinc/20/14/08/1074201408.db2.gz YONXAVMVGYFEQX-FQEVSTJZSA-N 2 1 399.604 3.930 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CC1 ZINC001473941306 1074212880 /nfs/dbraw/zinc/21/28/80/1074212880.db2.gz FKKJKOSWDSRCQV-UHFFFAOYSA-N 2 1 390.959 3.968 20 0 GHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)ccc1-n1cncn1 ZINC001474019285 1074237429 /nfs/dbraw/zinc/23/74/29/1074237429.db2.gz UVBWTYLLXMCYMW-WIYYLYMNSA-N 2 1 381.549 3.810 20 0 GHADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)ccc1-n1cncn1 ZINC001474019285 1074237432 /nfs/dbraw/zinc/23/74/32/1074237432.db2.gz UVBWTYLLXMCYMW-WIYYLYMNSA-N 2 1 381.549 3.810 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC001474028867 1074241336 /nfs/dbraw/zinc/24/13/36/1074241336.db2.gz QZAJTRACPQGHLB-LSDHHAIUSA-N 2 1 385.346 3.819 20 0 GHADMP CCC[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC001474391781 1074381375 /nfs/dbraw/zinc/38/13/75/1074381375.db2.gz ZBCCQMVNDQLCCY-JOCHJYFZSA-N 2 1 375.520 3.754 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474570979 1074468159 /nfs/dbraw/zinc/46/81/59/1074468159.db2.gz MITTWWFLCXEHFV-UMQXSMKFSA-N 2 1 379.589 3.876 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC001474613084 1074485118 /nfs/dbraw/zinc/48/51/18/1074485118.db2.gz XCZAZSHLMFEVHF-HNNXBMFYSA-N 2 1 384.362 3.734 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001474646314 1074497669 /nfs/dbraw/zinc/49/76/69/1074497669.db2.gz YGFSBPAHTFDQTQ-GBESFXJTSA-N 2 1 377.573 3.534 20 0 GHADMP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001546208494 1075069157 /nfs/dbraw/zinc/06/91/57/1075069157.db2.gz PQGZXONOGLYSBJ-WIYYLYMNSA-N 2 1 390.531 3.931 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001476276361 1075114771 /nfs/dbraw/zinc/11/47/71/1075114771.db2.gz SFKQTJDXMPYLSB-UHFFFAOYSA-N 2 1 390.572 3.793 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412262 599374462 /nfs/dbraw/zinc/37/44/62/599374462.db2.gz LPFARMLGTFZOAS-OARUMGJZSA-N 2 1 388.519 3.713 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820705528 606408503 /nfs/dbraw/zinc/40/85/03/606408503.db2.gz UQXZGXFWOVIKJV-OAHLLOKOSA-N 2 1 382.537 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626122 609326497 /nfs/dbraw/zinc/32/64/97/609326497.db2.gz MBPFVRVRFICCPE-HNNXBMFYSA-N 2 1 382.487 3.697 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC(F)(C[NH3+])CC3)c2c1C ZINC001164390716 718813257 /nfs/dbraw/zinc/81/32/57/718813257.db2.gz CYJWSHVAZNIJCT-UHFFFAOYSA-N 2 1 391.560 3.561 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4cccc(C)c43)CC2)CC1 ZINC001164618138 719033235 /nfs/dbraw/zinc/03/32/35/719033235.db2.gz SYHBWBDVGBMADT-UHFFFAOYSA-N 2 1 381.520 3.787 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001164836267 720533621 /nfs/dbraw/zinc/53/36/21/720533621.db2.gz JJDLPCQNWGHTIW-ONTIZHBOSA-N 2 1 379.552 3.535 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c([nH+]3)CCCC4)CC[C@@H]21 ZINC001164836267 720533627 /nfs/dbraw/zinc/53/36/27/720533627.db2.gz JJDLPCQNWGHTIW-ONTIZHBOSA-N 2 1 379.552 3.535 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164838240 720667798 /nfs/dbraw/zinc/66/77/98/720667798.db2.gz GRBYQJBGJGDHKC-HXUWFJFHSA-N 2 1 376.504 3.823 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000431777726 837454051 /nfs/dbraw/zinc/45/40/51/837454051.db2.gz BUVYTQMIBHMTSX-WIYYLYMNSA-N 2 1 385.577 3.769 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OCc1cccnc1 ZINC000647544183 837476693 /nfs/dbraw/zinc/47/66/93/837476693.db2.gz XYYUKCUUQYGODF-VXKWHMMOSA-N 2 1 395.547 3.881 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414111301 837586382 /nfs/dbraw/zinc/58/63/82/837586382.db2.gz IVVQCPXBGHDLCS-GGPKGHCWSA-N 2 1 377.960 3.543 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655687214 837606440 /nfs/dbraw/zinc/60/64/40/837606440.db2.gz MUHUITLVELKTAM-DEOSSOPVSA-N 3 1 393.575 3.758 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655687215 837606618 /nfs/dbraw/zinc/60/66/18/837606618.db2.gz MUHUITLVELKTAM-XMMPIXPASA-N 3 1 393.575 3.758 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689396 837609254 /nfs/dbraw/zinc/60/92/54/837609254.db2.gz CGQWZHDXOKGRCB-YKSBVNFPSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689396 837609262 /nfs/dbraw/zinc/60/92/62/837609262.db2.gz CGQWZHDXOKGRCB-YKSBVNFPSA-N 3 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689396 837609267 /nfs/dbraw/zinc/60/92/67/837609267.db2.gz CGQWZHDXOKGRCB-YKSBVNFPSA-N 3 1 385.596 3.652 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431802111 837672546 /nfs/dbraw/zinc/67/25/46/837672546.db2.gz RCIHWHIUIXLOEU-OAQYLSRUSA-N 2 1 387.593 3.971 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275592471 837680139 /nfs/dbraw/zinc/68/01/39/837680139.db2.gz FSKMHKVFMMJXKW-FQEVSTJZSA-N 2 1 394.563 3.919 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]2CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000472610825 837709134 /nfs/dbraw/zinc/70/91/34/837709134.db2.gz MMBUMVTZALSQCH-UHFFFAOYSA-N 2 1 377.326 3.785 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000458538755 834425500 /nfs/dbraw/zinc/42/55/00/834425500.db2.gz ISZNWDOKZVMNOC-FRIKZZABSA-N 2 1 386.584 3.733 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000458538755 834425505 /nfs/dbraw/zinc/42/55/05/834425505.db2.gz ISZNWDOKZVMNOC-FRIKZZABSA-N 2 1 386.584 3.733 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000458538755 834425513 /nfs/dbraw/zinc/42/55/13/834425513.db2.gz ISZNWDOKZVMNOC-FRIKZZABSA-N 2 1 386.584 3.733 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3OCc3ccccc3)C2)C1 ZINC000650705279 834520788 /nfs/dbraw/zinc/52/07/88/834520788.db2.gz BADGYJLRBKGNMY-AKFKNWHVSA-N 2 1 380.532 3.984 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)C1 ZINC000650707899 834546571 /nfs/dbraw/zinc/54/65/71/834546571.db2.gz PMTQKDDQEYPMJD-JTNHKYCSSA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)C1 ZINC000650707899 834546581 /nfs/dbraw/zinc/54/65/81/834546581.db2.gz PMTQKDDQEYPMJD-JTNHKYCSSA-N 2 1 393.778 3.882 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3OC(C)(C)C)CC2)CC1 ZINC000654799650 834576235 /nfs/dbraw/zinc/57/62/35/834576235.db2.gz TZDVHIIVHBSDRO-UHFFFAOYSA-N 2 1 387.568 3.999 20 0 GHADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820957 834689056 /nfs/dbraw/zinc/68/90/56/834689056.db2.gz IAGSCGDRHYPOSA-LJQANCHMSA-N 2 1 380.536 3.671 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511255464 834717021 /nfs/dbraw/zinc/71/70/21/834717021.db2.gz YJLHQGDHZBAKMU-TZIWHRDSSA-N 2 1 390.616 3.547 20 0 GHADMP c1ncn(-c2ccccc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000657772960 834720160 /nfs/dbraw/zinc/72/01/60/834720160.db2.gz OZQNXFYYHJWXML-JOCHJYFZSA-N 2 1 387.531 3.659 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4ccccc4[C@@H]3C(C)C)CC2)CC1 ZINC000654914176 834782331 /nfs/dbraw/zinc/78/23/31/834782331.db2.gz AGQHMDVWAPHBKI-DEOSSOPVSA-N 2 1 397.607 3.965 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000657872280 834819826 /nfs/dbraw/zinc/81/98/26/834819826.db2.gz MOVZVXBKVRFBNA-OAHLLOKOSA-N 2 1 391.909 3.907 20 0 GHADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246234982 834840501 /nfs/dbraw/zinc/84/05/01/834840501.db2.gz IENODLIBPQHWIZ-BZRIBIQUSA-N 2 1 379.548 3.834 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511265688 834908431 /nfs/dbraw/zinc/90/84/31/834908431.db2.gz MANKUYYMJZXKSF-UXHICEINSA-N 2 1 380.621 3.649 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000685464201 835031236 /nfs/dbraw/zinc/03/12/36/835031236.db2.gz DOZHENLWMYJOBC-NHCUHLMSSA-N 2 1 385.596 3.856 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000151150666 835052844 /nfs/dbraw/zinc/05/28/44/835052844.db2.gz ZVTHSHPYOCLMMT-IBGZPJMESA-N 2 1 381.568 3.959 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000151150666 835052848 /nfs/dbraw/zinc/05/28/48/835052848.db2.gz ZVTHSHPYOCLMMT-IBGZPJMESA-N 2 1 381.568 3.959 20 0 GHADMP C[N@H+](C1CCOCC1)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207386031 835093209 /nfs/dbraw/zinc/09/32/09/835093209.db2.gz RIAJUQCEEYBFPB-UHFFFAOYSA-N 2 1 381.358 3.567 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207386031 835093219 /nfs/dbraw/zinc/09/32/19/835093219.db2.gz RIAJUQCEEYBFPB-UHFFFAOYSA-N 2 1 381.358 3.567 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)Cc4ccccc43)CC2)CC1 ZINC000655104515 835151843 /nfs/dbraw/zinc/15/18/43/835151843.db2.gz IRDMMADKKLMRHD-UHFFFAOYSA-N 2 1 383.580 3.798 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000511312324 835212292 /nfs/dbraw/zinc/21/22/92/835212292.db2.gz BPSGOBWCJMPGCQ-HECUDJIGSA-N 2 1 394.559 3.709 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000511312324 835212300 /nfs/dbraw/zinc/21/23/00/835212300.db2.gz BPSGOBWCJMPGCQ-HECUDJIGSA-N 2 1 394.559 3.709 20 0 GHADMP CCOC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000658024585 835376336 /nfs/dbraw/zinc/37/63/36/835376336.db2.gz ZGCJDNAVGBRODE-DDRJZQQSSA-N 2 1 386.580 3.853 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000612046788 835432600 /nfs/dbraw/zinc/43/26/00/835432600.db2.gz GKXKYQSFDCHJCR-JKHIJQBDSA-N 2 1 389.628 3.858 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000433363071 844052684 /nfs/dbraw/zinc/05/26/84/844052684.db2.gz QOJHHCNNHILGSJ-PGRDOPGGSA-N 2 1 385.552 3.815 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000433363071 844052692 /nfs/dbraw/zinc/05/26/92/844052692.db2.gz QOJHHCNNHILGSJ-PGRDOPGGSA-N 2 1 385.552 3.815 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](Cc3ccncc3)c3cccs3)cc2)C1 ZINC000658135306 835445271 /nfs/dbraw/zinc/44/52/71/835445271.db2.gz DAFICSVNAGMWSQ-YADHBBJMSA-N 2 1 393.556 3.783 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cnn(C2CCCC2)c1 ZINC000548860672 835451983 /nfs/dbraw/zinc/45/19/83/835451983.db2.gz CQYSUKUWHFRCHX-PXNSSMCTSA-N 2 1 387.597 3.699 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4c(Cl)cccc43)cc2)C1 ZINC000658139951 835464609 /nfs/dbraw/zinc/46/46/09/835464609.db2.gz OWVYWJXEHSXPNA-WIYYLYMNSA-N 2 1 386.923 3.910 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000584072816 835540930 /nfs/dbraw/zinc/54/09/30/835540930.db2.gz FVFFZVUMBVBQIT-VDGAXYAQSA-N 2 1 387.499 3.629 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000584072816 835540932 /nfs/dbraw/zinc/54/09/32/835540932.db2.gz FVFFZVUMBVBQIT-VDGAXYAQSA-N 2 1 387.499 3.629 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNC3CC[NH+](C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315693 835570400 /nfs/dbraw/zinc/57/04/00/835570400.db2.gz ABEMWGZMHAKKRB-UPVQGACJSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315693 835570408 /nfs/dbraw/zinc/57/04/08/835570408.db2.gz ABEMWGZMHAKKRB-UPVQGACJSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315693 835570412 /nfs/dbraw/zinc/57/04/12/835570412.db2.gz ABEMWGZMHAKKRB-UPVQGACJSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNC3CC[NH+](C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315690 835570581 /nfs/dbraw/zinc/57/05/81/835570581.db2.gz ABEMWGZMHAKKRB-LADGPHEKSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315690 835570586 /nfs/dbraw/zinc/57/05/86/835570586.db2.gz ABEMWGZMHAKKRB-LADGPHEKSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315690 835570590 /nfs/dbraw/zinc/57/05/90/835570590.db2.gz ABEMWGZMHAKKRB-LADGPHEKSA-N 2 1 397.607 3.522 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658319320 835573060 /nfs/dbraw/zinc/57/30/60/835573060.db2.gz ZMHVDRUQUMFTNX-SIKLNZKXSA-N 2 1 379.548 3.913 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cccnc4CC3)CC2)cs1 ZINC000421828846 835653516 /nfs/dbraw/zinc/65/35/16/835653516.db2.gz FOQATOUSYJUQTC-LJQANCHMSA-N 2 1 384.593 3.850 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)cc2)C1 ZINC000154561462 835760476 /nfs/dbraw/zinc/76/04/76/835760476.db2.gz RDVIJDSCQYPKPS-GCJKJVERSA-N 2 1 385.552 3.500 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)cc2)C1 ZINC000154561462 835760482 /nfs/dbraw/zinc/76/04/82/835760482.db2.gz RDVIJDSCQYPKPS-GCJKJVERSA-N 2 1 385.552 3.500 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)cc2)C1 ZINC000154561462 835760490 /nfs/dbraw/zinc/76/04/90/835760490.db2.gz RDVIJDSCQYPKPS-GCJKJVERSA-N 2 1 385.552 3.500 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169139373 835858160 /nfs/dbraw/zinc/85/81/60/835858160.db2.gz XYIFDMAQYBOXJV-USXIJHARSA-N 2 1 385.474 3.578 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000657849326 835929175 /nfs/dbraw/zinc/92/91/75/835929175.db2.gz HNDIMRGLSMMSNP-IBGZPJMESA-N 2 1 383.374 3.717 20 0 GHADMP Clc1cc(C[NH+]2CCC23CCOCC3)cc(C[N@H+]2CCC23CCOCC3)c1 ZINC000649501103 835952107 /nfs/dbraw/zinc/95/21/07/835952107.db2.gz UONDCCYJYDGFFG-UHFFFAOYSA-N 2 1 390.955 3.850 20 0 GHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000569768382 836047180 /nfs/dbraw/zinc/04/71/80/836047180.db2.gz FHBZPDRPSRDIEL-UHFFFAOYSA-N 2 1 398.378 3.808 20 0 GHADMP COc1cccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1OC(F)F ZINC000092587328 844121718 /nfs/dbraw/zinc/12/17/18/844121718.db2.gz JUEASIUWSAMONH-HZPDHXFCSA-N 2 1 398.494 3.618 20 0 GHADMP Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc2)no1 ZINC000092587824 844122562 /nfs/dbraw/zinc/12/25/62/844122562.db2.gz JOMXFHVFQIKNMI-NRFANRHFSA-N 2 1 398.551 3.901 20 0 GHADMP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)cc2)no1 ZINC000092587824 844122568 /nfs/dbraw/zinc/12/25/68/844122568.db2.gz JOMXFHVFQIKNMI-NRFANRHFSA-N 2 1 398.551 3.901 20 0 GHADMP Cc1nc(COc2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc2)no1 ZINC000092587823 844122586 /nfs/dbraw/zinc/12/25/86/844122586.db2.gz JOMXFHVFQIKNMI-OAQYLSRUSA-N 2 1 398.551 3.901 20 0 GHADMP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCC(C)CC4)C3)cc2)no1 ZINC000092587823 844122593 /nfs/dbraw/zinc/12/25/93/844122593.db2.gz JOMXFHVFQIKNMI-OAQYLSRUSA-N 2 1 398.551 3.901 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483674 844153021 /nfs/dbraw/zinc/15/30/21/844153021.db2.gz IFANADGNQXZXAA-BVSLBCMMSA-N 2 1 399.604 3.622 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2c2ccsc2)CC1 ZINC000613427850 836372226 /nfs/dbraw/zinc/37/22/26/836372226.db2.gz PSMGIMQJPAMTSV-QFIPXVFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2c2ccsc2)CC1 ZINC000613427850 836372235 /nfs/dbraw/zinc/37/22/35/836372235.db2.gz PSMGIMQJPAMTSV-QFIPXVFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000613427850 836372247 /nfs/dbraw/zinc/37/22/47/836372247.db2.gz PSMGIMQJPAMTSV-QFIPXVFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2ccsc2)CC1 ZINC000613427850 836372253 /nfs/dbraw/zinc/37/22/53/836372253.db2.gz PSMGIMQJPAMTSV-QFIPXVFZSA-N 2 1 397.588 3.928 20 0 GHADMP C[N@@H+](C[C@H](O)COc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403525 836441132 /nfs/dbraw/zinc/44/11/32/836441132.db2.gz UQJCYCYDTVUMEP-PMACEKPBSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@H](O)COc1ccccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403525 836441135 /nfs/dbraw/zinc/44/11/35/836441135.db2.gz UQJCYCYDTVUMEP-PMACEKPBSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@H](O)COc1ccccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403525 836441139 /nfs/dbraw/zinc/44/11/39/836441139.db2.gz UQJCYCYDTVUMEP-PMACEKPBSA-N 2 1 388.939 3.534 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000892575623 836693067 /nfs/dbraw/zinc/69/30/67/836693067.db2.gz WLLRBNDDYYEUSV-INIZCTEOSA-N 2 1 387.549 3.842 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000892575623 836693074 /nfs/dbraw/zinc/69/30/74/836693074.db2.gz WLLRBNDDYYEUSV-INIZCTEOSA-N 2 1 387.549 3.842 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471280174 836841913 /nfs/dbraw/zinc/84/19/13/836841913.db2.gz QLKDQWBEKYGVRQ-FYYLOGMGSA-N 2 1 379.548 3.708 20 0 GHADMP CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468512812 836848248 /nfs/dbraw/zinc/84/82/48/836848248.db2.gz YLEMNOHFVJKTOV-IFMALSPDSA-N 2 1 387.568 3.796 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000236165660 836886561 /nfs/dbraw/zinc/88/65/61/836886561.db2.gz QKLHMHXSELDQPL-UHFFFAOYSA-N 2 1 376.136 3.772 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000500863422 844215272 /nfs/dbraw/zinc/21/52/72/844215272.db2.gz SCVQKPOIGJLMDX-JOCHJYFZSA-N 2 1 386.584 3.736 20 0 GHADMP CC(C)COC(=O)N1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001167283786 837315191 /nfs/dbraw/zinc/31/51/91/837315191.db2.gz LVMXYPNSVSZPGE-UHFFFAOYSA-N 2 1 387.568 3.973 20 0 GHADMP CC(C)COC(=O)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001167283786 837315202 /nfs/dbraw/zinc/31/52/02/837315202.db2.gz LVMXYPNSVSZPGE-UHFFFAOYSA-N 2 1 387.568 3.973 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000423467470 837908385 /nfs/dbraw/zinc/90/83/85/837908385.db2.gz IZEIJOXVDYCPQG-XGAJZPNHSA-N 2 1 381.539 3.944 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000423467470 837908392 /nfs/dbraw/zinc/90/83/92/837908392.db2.gz IZEIJOXVDYCPQG-XGAJZPNHSA-N 2 1 381.539 3.944 20 0 GHADMP C[N@H+]1CC[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000423467468 837908807 /nfs/dbraw/zinc/90/88/07/837908807.db2.gz IZEIJOXVDYCPQG-RBVMOCNTSA-N 2 1 381.539 3.944 20 0 GHADMP CN1CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000423467468 837908812 /nfs/dbraw/zinc/90/88/12/837908812.db2.gz IZEIJOXVDYCPQG-RBVMOCNTSA-N 2 1 381.539 3.944 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659279448 838056449 /nfs/dbraw/zinc/05/64/49/838056449.db2.gz AAEKGHJKAVZOHC-NZQKXSOJSA-N 2 1 391.559 3.659 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000052189698 844297337 /nfs/dbraw/zinc/29/73/37/844297337.db2.gz XQVXLQLTKAZBFM-UHFFFAOYSA-N 2 1 386.367 3.804 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C(C)C)CC1 ZINC000052189698 844297347 /nfs/dbraw/zinc/29/73/47/844297347.db2.gz XQVXLQLTKAZBFM-UHFFFAOYSA-N 2 1 386.367 3.804 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000415910250 838255039 /nfs/dbraw/zinc/25/50/39/838255039.db2.gz HPSJOPCZPPBBDM-UHFFFAOYSA-N 2 1 380.536 3.782 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[NH2+]C[C@H]3c3ccccc3Cl)cc21 ZINC000659311663 838270717 /nfs/dbraw/zinc/27/07/17/838270717.db2.gz OMVPXVGLASQSJU-UTKZUKDTSA-N 2 1 383.923 3.505 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CC[NH2+]C[C@@H]3c3ccccc3Cl)cc21 ZINC000659311662 838270937 /nfs/dbraw/zinc/27/09/37/838270937.db2.gz OMVPXVGLASQSJU-LAUBAEHRSA-N 2 1 383.923 3.505 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415945926 838299614 /nfs/dbraw/zinc/29/96/14/838299614.db2.gz MIHIRGVAIFBFSZ-SFHVURJKSA-N 2 1 388.556 3.533 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000415960515 838319629 /nfs/dbraw/zinc/31/96/29/838319629.db2.gz PUFGQTVNXADPCH-SJORKVTESA-N 2 1 396.510 3.598 20 0 GHADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981523 838351238 /nfs/dbraw/zinc/35/12/38/838351238.db2.gz VTMGTJPKRRGBBF-VGSWGCGISA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981523 838351245 /nfs/dbraw/zinc/35/12/45/838351245.db2.gz VTMGTJPKRRGBBF-VGSWGCGISA-N 2 1 395.551 3.613 20 0 GHADMP CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415997630 838386726 /nfs/dbraw/zinc/38/67/26/838386726.db2.gz QBSKTGKDTVOBEU-VGOFRKELSA-N 2 1 378.520 3.979 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000659466149 838424265 /nfs/dbraw/zinc/42/42/65/838424265.db2.gz FWVFJFQNBDMIEY-UWJYYQICSA-N 2 1 395.551 3.663 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000659466665 838425841 /nfs/dbraw/zinc/42/58/41/838425841.db2.gz IDRFEDVVQPXKRK-DYESRHJHSA-N 2 1 395.551 3.663 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)[C@H](C)C1 ZINC000123259857 838459839 /nfs/dbraw/zinc/45/98/39/838459839.db2.gz MUSZICVDXAQZSE-HMFYCAOWSA-N 2 1 399.579 3.760 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000124499788 838558703 /nfs/dbraw/zinc/55/87/03/838558703.db2.gz MMPFUAUTCFDAAK-CQSZACIVSA-N 2 1 389.918 3.866 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416165224 838658179 /nfs/dbraw/zinc/65/81/79/838658179.db2.gz DWGUZRYMDHVOPH-LEWJYISDSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416165224 838658183 /nfs/dbraw/zinc/65/81/83/838658183.db2.gz DWGUZRYMDHVOPH-LEWJYISDSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416165224 838658187 /nfs/dbraw/zinc/65/81/87/838658187.db2.gz DWGUZRYMDHVOPH-LEWJYISDSA-N 2 1 383.580 3.548 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000376764938 838712922 /nfs/dbraw/zinc/71/29/22/838712922.db2.gz OIMAAJRXCZAJTJ-XGHQBKJUSA-N 2 1 381.524 3.510 20 0 GHADMP Cn1c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2sc1=O ZINC000549823543 844371231 /nfs/dbraw/zinc/37/12/31/844371231.db2.gz BBHPNHMGTGHRJM-NRFANRHFSA-N 2 1 395.572 3.990 20 0 GHADMP Cn1c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc2sc1=O ZINC000549823543 844371264 /nfs/dbraw/zinc/37/12/64/844371264.db2.gz BBHPNHMGTGHRJM-NRFANRHFSA-N 2 1 395.572 3.990 20 0 GHADMP CCc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cs2)cc1 ZINC000051957423 844375306 /nfs/dbraw/zinc/37/53/06/844375306.db2.gz WFWNXIAJTWLGGZ-UHFFFAOYSA-N 2 1 385.577 3.917 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1)C1CC1 ZINC000511546357 839040844 /nfs/dbraw/zinc/04/08/44/839040844.db2.gz HBFYFWFPGZQRAH-HSZRJFAPSA-N 2 1 379.548 3.574 20 0 GHADMP Brc1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415034395 839096587 /nfs/dbraw/zinc/09/65/87/839096587.db2.gz HXNVOVHWXCXTPP-OAHLLOKOSA-N 2 1 381.339 3.646 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c2C)cc1 ZINC000580245267 839109408 /nfs/dbraw/zinc/10/94/08/839109408.db2.gz HEIGFNAAOGSGOK-JOCHJYFZSA-N 2 1 396.579 3.721 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000415100668 839205319 /nfs/dbraw/zinc/20/53/19/839205319.db2.gz BCKBZQSIUKJZTA-DLBZAZTESA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCCO1 ZINC000415108167 839219044 /nfs/dbraw/zinc/21/90/44/839219044.db2.gz LUKYEYPIBBDRCK-OAQYLSRUSA-N 2 1 396.922 3.742 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCCO1 ZINC000415108167 839219056 /nfs/dbraw/zinc/21/90/56/839219056.db2.gz LUKYEYPIBBDRCK-OAQYLSRUSA-N 2 1 396.922 3.742 20 0 GHADMP NC1(C[NH2+]Cc2ccccc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000415134155 839250225 /nfs/dbraw/zinc/25/02/25/839250225.db2.gz NXZMQVGOQSPMOE-UHFFFAOYSA-N 2 1 388.353 3.532 20 0 GHADMP Fc1cccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccn5c[nH+]cc5c4)no3)C2)c1 ZINC000584569917 839294845 /nfs/dbraw/zinc/29/48/45/839294845.db2.gz HTZWGHWHXJNAFV-QGZVFWFLSA-N 2 1 377.423 3.903 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001167396963 839522778 /nfs/dbraw/zinc/52/27/78/839522778.db2.gz DDNRNRDTSBOFAN-LAUBAEHRSA-N 2 1 387.955 3.622 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000892944370 839564732 /nfs/dbraw/zinc/56/47/32/839564732.db2.gz PTXMLJYFNHKAKH-HNNXBMFYSA-N 2 1 382.346 3.618 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000892944370 839564742 /nfs/dbraw/zinc/56/47/42/839564742.db2.gz PTXMLJYFNHKAKH-HNNXBMFYSA-N 2 1 382.346 3.618 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000471579818 839592769 /nfs/dbraw/zinc/59/27/69/839592769.db2.gz CHZVWPFWCJNQSB-VQTJNVASSA-N 2 1 399.579 3.799 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000471579817 839592956 /nfs/dbraw/zinc/59/29/56/839592956.db2.gz CHZVWPFWCJNQSB-UXHICEINSA-N 2 1 399.579 3.799 20 0 GHADMP Brc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)OCCO2 ZINC000047968913 839881307 /nfs/dbraw/zinc/88/13/07/839881307.db2.gz ZWNQBRUFHGHNFO-UHFFFAOYSA-N 2 1 395.341 3.528 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(OC)cc1Cl ZINC000580675668 839997128 /nfs/dbraw/zinc/99/71/28/839997128.db2.gz UDECSNIPVWYLEC-MRXNPFEDSA-N 2 1 396.963 3.537 20 0 GHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000246500470 844498521 /nfs/dbraw/zinc/49/85/21/844498521.db2.gz KFRGJHCWHXZJEK-BVSLBCMMSA-N 2 1 384.568 3.610 20 0 GHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000246500470 844498530 /nfs/dbraw/zinc/49/85/30/844498530.db2.gz KFRGJHCWHXZJEK-BVSLBCMMSA-N 2 1 384.568 3.610 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000535807634 844505834 /nfs/dbraw/zinc/50/58/34/844505834.db2.gz WTOBUCMFUXOMPZ-RBQRNVLBSA-N 2 1 391.575 3.992 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000535807634 844505837 /nfs/dbraw/zinc/50/58/37/844505837.db2.gz WTOBUCMFUXOMPZ-RBQRNVLBSA-N 2 1 391.575 3.992 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829279 840299628 /nfs/dbraw/zinc/29/96/28/840299628.db2.gz HHYHSCDPLUNARE-GMAHTHKFSA-N 2 1 390.527 3.691 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000416975831 840319732 /nfs/dbraw/zinc/31/97/32/840319732.db2.gz NEVIDBKMBJCSSC-FQEVSTJZSA-N 2 1 398.595 3.736 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416970488 840327714 /nfs/dbraw/zinc/32/77/14/840327714.db2.gz NNJHIUKLPYLRLE-RTBURBONSA-N 2 1 394.563 3.938 20 0 GHADMP C[NH2+]CCC1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000416970615 840327747 /nfs/dbraw/zinc/32/77/47/840327747.db2.gz FLZGMMXKYHRGTF-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000416971940 840328390 /nfs/dbraw/zinc/32/83/90/840328390.db2.gz QYHLULAONDOGPI-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416985735 840335789 /nfs/dbraw/zinc/33/57/89/840335789.db2.gz YZQPSODELNGAPS-CVDCTZTESA-N 2 1 398.595 3.735 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](C)C1 ZINC000364035501 840497923 /nfs/dbraw/zinc/49/79/23/840497923.db2.gz QGWZENFYSOEVAW-QFUCXCTJSA-N 2 1 386.584 3.682 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](C)C1 ZINC000364035501 840497927 /nfs/dbraw/zinc/49/79/27/840497927.db2.gz QGWZENFYSOEVAW-QFUCXCTJSA-N 2 1 386.584 3.682 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2nc(-c3ccccc3Cl)cs2)CC12CCOCC2 ZINC000581012708 840591803 /nfs/dbraw/zinc/59/18/03/840591803.db2.gz MIJCUSBQBWZFHP-AWEZNQCLSA-N 2 1 377.941 3.651 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC12CCOCC2 ZINC000581012708 840591810 /nfs/dbraw/zinc/59/18/10/840591810.db2.gz MIJCUSBQBWZFHP-AWEZNQCLSA-N 2 1 377.941 3.651 20 0 GHADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000581255933 840957420 /nfs/dbraw/zinc/95/74/20/840957420.db2.gz KBCNARFCGFZCKU-FQEVSTJZSA-N 2 1 392.547 3.674 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000510374359 840972949 /nfs/dbraw/zinc/97/29/49/840972949.db2.gz COJWDSXLJVCLPO-GOSISDBHSA-N 2 1 385.474 3.690 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000417856592 841222850 /nfs/dbraw/zinc/22/28/50/841222850.db2.gz MWBDUTZTQXDURA-KRWDZBQOSA-N 2 1 383.540 3.792 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000417847761 841224395 /nfs/dbraw/zinc/22/43/95/841224395.db2.gz APBXETOMODVKSH-JKSUJKDBSA-N 2 1 377.492 3.761 20 0 GHADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000417991355 841359006 /nfs/dbraw/zinc/35/90/06/841359006.db2.gz LJSIGMRHCLLCPK-UCNVEGJOSA-N 2 1 386.584 3.762 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000549542426 841605186 /nfs/dbraw/zinc/60/51/86/841605186.db2.gz FXAPCDQYQIMMJY-FXAWDEMLSA-N 2 1 394.991 3.610 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000429103026 861220414 /nfs/dbraw/zinc/22/04/14/861220414.db2.gz MJSKSWFWGUKOEP-PGRDOPGGSA-N 2 1 384.568 3.528 20 0 GHADMP CCc1cc2c(C[NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)cc(=O)oc2cc1O ZINC000185713193 861222693 /nfs/dbraw/zinc/22/26/93/861222693.db2.gz NENBDXLDUKPCAX-NVXWUHKLSA-N 2 1 384.520 3.804 20 0 GHADMP CCc1cc2c(C[NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)cc(=O)oc2cc1O ZINC000185713193 861222709 /nfs/dbraw/zinc/22/27/09/861222709.db2.gz NENBDXLDUKPCAX-NVXWUHKLSA-N 2 1 384.520 3.804 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)C3(C)C)CC2)CC1 ZINC000581558424 841664400 /nfs/dbraw/zinc/66/44/00/841664400.db2.gz PQMZZCNDKONOML-HSZRJFAPSA-N 2 1 397.607 3.977 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000661411626 841719859 /nfs/dbraw/zinc/71/98/59/841719859.db2.gz ZNAFIFLORBXDKB-NRFANRHFSA-N 2 1 398.595 3.557 20 0 GHADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(Br)c1OC(F)F ZINC000656788353 841928191 /nfs/dbraw/zinc/92/81/91/841928191.db2.gz KSYHUVGZKRXHLX-UHFFFAOYSA-N 2 1 393.272 3.810 20 0 GHADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-n2cncn2)c1 ZINC000684374843 841978381 /nfs/dbraw/zinc/97/83/81/841978381.db2.gz XJTHWIWEQNUGBZ-IBGZPJMESA-N 2 1 395.938 3.923 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC001167823948 842012603 /nfs/dbraw/zinc/01/26/03/842012603.db2.gz FXZFKRVGJSXGPW-YADARESESA-N 2 1 383.580 3.897 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432348030 842126579 /nfs/dbraw/zinc/12/65/79/842126579.db2.gz RFRBWYNMYHZYHB-CQSZACIVSA-N 2 1 387.387 3.762 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432348030 842126582 /nfs/dbraw/zinc/12/65/82/842126582.db2.gz RFRBWYNMYHZYHB-CQSZACIVSA-N 2 1 387.387 3.762 20 0 GHADMP COc1c(F)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001143528409 842142041 /nfs/dbraw/zinc/14/20/41/842142041.db2.gz BQPDEPPLZSIWBI-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP CC[C@@H](C)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000652336973 842281073 /nfs/dbraw/zinc/28/10/73/842281073.db2.gz XZEJRPCRVOXUJJ-MRXNPFEDSA-N 2 1 376.504 3.782 20 0 GHADMP CC[C@@H](C)[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000652336973 842281075 /nfs/dbraw/zinc/28/10/75/842281075.db2.gz XZEJRPCRVOXUJJ-MRXNPFEDSA-N 2 1 376.504 3.782 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581857049 842313202 /nfs/dbraw/zinc/31/32/02/842313202.db2.gz CAIINCFGGYSJRM-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)[C@H]1c1cccs1 ZINC000891597689 842400688 /nfs/dbraw/zinc/40/06/88/842400688.db2.gz RMQWXNLMVDAMAB-MMOPVJDHSA-N 2 1 392.613 3.538 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCCO1 ZINC000432422755 842444505 /nfs/dbraw/zinc/44/45/05/842444505.db2.gz GPCJXGGIHGPSBG-QAPCUYQASA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCCO1 ZINC000432422755 842444510 /nfs/dbraw/zinc/44/45/10/842444510.db2.gz GPCJXGGIHGPSBG-QAPCUYQASA-N 2 1 397.357 3.753 20 0 GHADMP Clc1cccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)co2)c1 ZINC000549581891 842480817 /nfs/dbraw/zinc/48/08/17/842480817.db2.gz BHDKQFBNFXRPBG-UHFFFAOYSA-N 2 1 389.927 3.929 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(F)c1Cl ZINC000430685912 842538913 /nfs/dbraw/zinc/53/89/13/842538913.db2.gz KDRNAEIIPDGHHT-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000248608340 842696472 /nfs/dbraw/zinc/69/64/72/842696472.db2.gz WZZQRCCPWHSXPG-GGPKGHCWSA-N 2 1 389.559 3.978 20 0 GHADMP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000248608340 842696481 /nfs/dbraw/zinc/69/64/81/842696481.db2.gz WZZQRCCPWHSXPG-GGPKGHCWSA-N 2 1 389.559 3.978 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc2ccc(N)cc2s1 ZINC000663701288 842795676 /nfs/dbraw/zinc/79/56/76/842795676.db2.gz YJVZAXRNSHJENF-UHFFFAOYSA-N 2 1 387.597 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000510500801 842800974 /nfs/dbraw/zinc/80/09/74/842800974.db2.gz MCNNVCOYMZBXDV-OALUTQOASA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000510500801 842800986 /nfs/dbraw/zinc/80/09/86/842800986.db2.gz MCNNVCOYMZBXDV-OALUTQOASA-N 2 1 384.568 3.511 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)C1=CC[N@@H+](C)CC1 ZINC000510500801 842800992 /nfs/dbraw/zinc/80/09/92/842800992.db2.gz MCNNVCOYMZBXDV-OALUTQOASA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4c(s3)C[C@@H](C)CC4)CC2)C[C@H](C)O1 ZINC000512185595 842833288 /nfs/dbraw/zinc/83/32/88/842833288.db2.gz KKMVPEUWOIDUIQ-YESZJQIVSA-N 2 1 377.598 3.589 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4c(s3)C[C@@H](C)CC4)CC2)C[C@H](C)O1 ZINC000512185595 842833295 /nfs/dbraw/zinc/83/32/95/842833295.db2.gz KKMVPEUWOIDUIQ-YESZJQIVSA-N 2 1 377.598 3.589 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000891775456 842893309 /nfs/dbraw/zinc/89/33/09/842893309.db2.gz OSXSGHORKXVBCZ-UHFFFAOYSA-N 2 1 382.346 3.571 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430752096 842928895 /nfs/dbraw/zinc/92/88/95/842928895.db2.gz ARIHRJDABIXEGJ-UHFFFAOYSA-N 2 1 392.547 3.760 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000684508696 842987652 /nfs/dbraw/zinc/98/76/52/842987652.db2.gz SSXILABFEODWGF-MWXLCCTBSA-N 2 1 399.579 3.687 20 0 GHADMP CCCN(C(=O)c1cccs1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161658398 843127078 /nfs/dbraw/zinc/12/70/78/843127078.db2.gz QRWOIGICVONSQW-UHFFFAOYSA-N 2 1 377.598 3.941 20 0 GHADMP c1coc(-c2cc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)[nH]n4)CC3)no2)c1 ZINC000662326997 843138551 /nfs/dbraw/zinc/13/85/51/843138551.db2.gz CWJDLYMCGHWKSQ-UHFFFAOYSA-N 2 1 381.480 3.504 20 0 GHADMP c1c(C2CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327451 843156922 /nfs/dbraw/zinc/15/69/22/843156922.db2.gz OPDUBJMMFYJEPN-UHFFFAOYSA-N 2 1 391.519 3.911 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000662327451 843156944 /nfs/dbraw/zinc/15/69/44/843156944.db2.gz OPDUBJMMFYJEPN-UHFFFAOYSA-N 2 1 391.519 3.911 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000512270668 843285751 /nfs/dbraw/zinc/28/57/51/843285751.db2.gz NRGLOVOYYCZJTD-SFHVURJKSA-N 2 1 389.609 3.958 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000512270668 843285761 /nfs/dbraw/zinc/28/57/61/843285761.db2.gz NRGLOVOYYCZJTD-SFHVURJKSA-N 2 1 389.609 3.958 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2cc3c(s2)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000662467452 843295573 /nfs/dbraw/zinc/29/55/73/843295573.db2.gz BBQRUFKTQWRYRI-LPHOPBHVSA-N 2 1 383.561 3.519 20 0 GHADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000662488202 843328335 /nfs/dbraw/zinc/32/83/35/843328335.db2.gz RIVRHYLHMWWWSI-HSZRJFAPSA-N 2 1 395.572 3.522 20 0 GHADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503688 843349752 /nfs/dbraw/zinc/34/97/52/843349752.db2.gz VPSCETPHEYKMIR-ICSRJNTNSA-N 2 1 395.572 3.521 20 0 GHADMP CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418662838 843511379 /nfs/dbraw/zinc/51/13/79/843511379.db2.gz FJVBMBXVFCRKAX-BPBCIEFSSA-N 2 1 386.584 3.619 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001167821128 843697675 /nfs/dbraw/zinc/69/76/75/843697675.db2.gz BPDFJASGFGYABM-QZNHQXDQSA-N 2 1 389.584 3.842 20 0 GHADMP C[C@@H](CCc1ccccc1)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512411304 843722329 /nfs/dbraw/zinc/72/23/29/843722329.db2.gz XJOSNPWCIQGVTA-DHLKQENFSA-N 2 1 377.576 3.900 20 0 GHADMP CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411700045 843849554 /nfs/dbraw/zinc/84/95/54/843849554.db2.gz ZDDUZHHYIFBTAJ-HXUWFJFHSA-N 2 1 383.540 3.501 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500721275 843890837 /nfs/dbraw/zinc/89/08/37/843890837.db2.gz QGCZIIMRDJXHFX-KDURUIRLSA-N 2 1 380.621 3.506 20 0 GHADMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc3c(cccc3O)s2)c2ccccc2)CC1 ZINC000894139493 843998871 /nfs/dbraw/zinc/99/88/71/843998871.db2.gz WHKQYKDRWSGESM-HXUWFJFHSA-N 2 1 381.545 3.685 20 0 GHADMP C[C@H](c1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000151122886 844636790 /nfs/dbraw/zinc/63/67/90/844636790.db2.gz CYPMGMBRXHHMGU-GOSISDBHSA-N 2 1 388.556 3.514 20 0 GHADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCC2 ZINC000535837928 844777056 /nfs/dbraw/zinc/77/70/56/844777056.db2.gz CTZUPMKIWSUBIR-QHCPKHFHSA-N 2 1 377.532 3.550 20 0 GHADMP CN(CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512635145 844844220 /nfs/dbraw/zinc/84/42/20/844844220.db2.gz GCJRVEVZKZGWOR-XUVXKRRUSA-N 2 1 383.502 3.761 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCCC1 ZINC000512666130 844960795 /nfs/dbraw/zinc/96/07/95/844960795.db2.gz IZNJOYWLMDZGKV-XPWALMASSA-N 2 1 383.580 3.669 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000512669329 844977825 /nfs/dbraw/zinc/97/78/25/844977825.db2.gz ZNFSMMQXQRXJMC-OYTPZHDJSA-N 2 1 397.607 3.960 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000512662912 844982227 /nfs/dbraw/zinc/98/22/27/844982227.db2.gz CMZZEUCFTKKCLU-IRXDYDNUSA-N 2 1 385.474 3.576 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000663927449 844998538 /nfs/dbraw/zinc/99/85/38/844998538.db2.gz YVVMPOBCXVNTRR-DEOSSOPVSA-N 2 1 375.516 3.768 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000512676814 845004155 /nfs/dbraw/zinc/00/41/55/845004155.db2.gz FCHPLLJJHREGFP-QZTJIDSGSA-N 2 1 399.501 3.618 20 0 GHADMP CN(C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CCCCC1 ZINC000433059628 845125544 /nfs/dbraw/zinc/12/55/44/845125544.db2.gz UQOSVTYQGYCGGF-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000645112818 845169149 /nfs/dbraw/zinc/16/91/49/845169149.db2.gz RGQKJVUPTDUOOR-ZEQRLZLVSA-N 2 1 391.559 3.923 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000563135515 845224742 /nfs/dbraw/zinc/22/47/42/845224742.db2.gz OHAVLLMGMFXSFP-INIZCTEOSA-N 2 1 389.341 3.661 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Br)cn1 ZINC000179396020 861563165 /nfs/dbraw/zinc/56/31/65/861563165.db2.gz FGGCSDZMOPTFPM-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000614237006 845374198 /nfs/dbraw/zinc/37/41/98/845374198.db2.gz HAKVTDIQEQNVGC-ISKFKSNPSA-N 2 1 391.559 3.504 20 0 GHADMP COc1ccccc1CC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513453752 845462504 /nfs/dbraw/zinc/46/25/04/845462504.db2.gz AMABIHDLWZEGPH-UHFFFAOYSA-N 2 1 381.564 3.900 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C2)CC1 ZINC000093133284 845492253 /nfs/dbraw/zinc/49/22/53/845492253.db2.gz NDZZONHHJYOZJL-JOCHJYFZSA-N 2 1 397.538 3.617 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCc1ccccc1 ZINC000511020280 845638150 /nfs/dbraw/zinc/63/81/50/845638150.db2.gz XWPSTYNJMXELDT-UXHICEINSA-N 2 1 379.548 3.713 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCc1ccccc1 ZINC000511020284 845638258 /nfs/dbraw/zinc/63/82/58/845638258.db2.gz XWPSTYNJMXELDT-WOJBJXKFSA-N 2 1 379.548 3.713 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc2c1C ZINC000472060596 845643949 /nfs/dbraw/zinc/64/39/49/845643949.db2.gz WILBJIIENPVSSB-REWPJTCUSA-N 2 1 377.532 3.757 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2c1C ZINC000472060596 845643955 /nfs/dbraw/zinc/64/39/55/845643955.db2.gz WILBJIIENPVSSB-REWPJTCUSA-N 2 1 377.532 3.757 20 0 GHADMP C[C@H](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472067778 845685314 /nfs/dbraw/zinc/68/53/14/845685314.db2.gz KUOYZLARCOZWTQ-HXUWFJFHSA-N 2 1 379.548 3.923 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1nc(-c2ccccc2)cs1 ZINC000179510212 861609659 /nfs/dbraw/zinc/60/96/59/861609659.db2.gz AWTQIMVABAJICT-MRXNPFEDSA-N 2 1 382.533 3.996 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000421369852 846182458 /nfs/dbraw/zinc/18/24/58/846182458.db2.gz IAVDARGUUMBLIF-UHFFFAOYSA-N 2 1 385.474 3.577 20 0 GHADMP OCCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513655046 846197155 /nfs/dbraw/zinc/19/71/55/846197155.db2.gz KRZVFTXDCYGPSA-PZUNEJSGSA-N 2 1 394.559 3.838 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000513667178 846214416 /nfs/dbraw/zinc/21/44/16/846214416.db2.gz PVOGZWZOYFPKFA-KJXAQDMKSA-N 2 1 396.579 3.772 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513667178 846214428 /nfs/dbraw/zinc/21/44/28/846214428.db2.gz PVOGZWZOYFPKFA-KJXAQDMKSA-N 2 1 396.579 3.772 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513668434 846215618 /nfs/dbraw/zinc/21/56/18/846215618.db2.gz YNCRVUITQLFRIV-TZRRMPRUSA-N 2 1 391.559 3.827 20 0 GHADMP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064416 846595690 /nfs/dbraw/zinc/59/56/90/846595690.db2.gz WTBBWTJPITXROS-MOPGFXCFSA-N 2 1 392.547 3.596 20 0 GHADMP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000502963518 846667588 /nfs/dbraw/zinc/66/75/88/846667588.db2.gz ZNUUANXLMFMIET-UXHICEINSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000503036591 846738162 /nfs/dbraw/zinc/73/81/62/846738162.db2.gz QMQSUXRUTWHMSL-PZJWPPBQSA-N 2 1 395.547 3.775 20 0 GHADMP CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000179695741 861713215 /nfs/dbraw/zinc/71/32/15/861713215.db2.gz OVKLLIGPJLNELA-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000179695741 861713220 /nfs/dbraw/zinc/71/32/20/861713220.db2.gz OVKLLIGPJLNELA-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000503073512 846776500 /nfs/dbraw/zinc/77/65/00/846776500.db2.gz HMZWCZUMGJPBRS-UHFFFAOYSA-N 2 1 382.552 3.532 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000503073512 846776511 /nfs/dbraw/zinc/77/65/11/846776511.db2.gz HMZWCZUMGJPBRS-UHFFFAOYSA-N 2 1 382.552 3.532 20 0 GHADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000503080365 846783952 /nfs/dbraw/zinc/78/39/52/846783952.db2.gz FFWYHBSOOMZYIB-LJQANCHMSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000545868577 846798475 /nfs/dbraw/zinc/79/84/75/846798475.db2.gz SOYRFUXIYWOPIW-UGSOOPFHSA-N 2 1 395.366 3.895 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000545868577 846798487 /nfs/dbraw/zinc/79/84/87/846798487.db2.gz SOYRFUXIYWOPIW-UGSOOPFHSA-N 2 1 395.366 3.895 20 0 GHADMP CC(C)(C)[N@H+]1C[C@@H](c2nc(-c3ccn4c[nH+]cc4c3)no2)[C@H](C(F)(F)F)C1 ZINC000350527192 861722819 /nfs/dbraw/zinc/72/28/19/861722819.db2.gz MXRHCDOIPBWKSD-ZIAGYGMSSA-N 2 1 379.386 3.761 20 0 GHADMP COc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)ccc1OCc1ccncc1 ZINC000271815017 846926471 /nfs/dbraw/zinc/92/64/71/846926471.db2.gz UUUUZYFYMFTBCL-QGZVFWFLSA-N 2 1 380.492 3.915 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000684835853 846977087 /nfs/dbraw/zinc/97/70/87/846977087.db2.gz KHYFRCDSYPZUEP-OOMBGRCJSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000125039450 847096739 /nfs/dbraw/zinc/09/67/39/847096739.db2.gz YVSOBVQQYZFZNQ-MSOLQXFVSA-N 2 1 376.508 3.539 20 0 GHADMP Fc1ccc(OCc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cs2)cc1 ZINC000420338390 847118027 /nfs/dbraw/zinc/11/80/27/847118027.db2.gz KULNVMQXOVDDJE-IBGZPJMESA-N 2 1 375.513 3.825 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000501755834 847156341 /nfs/dbraw/zinc/15/63/41/847156341.db2.gz LYHLLOVKVPHZIA-IBGZPJMESA-N 2 1 399.501 3.670 20 0 GHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1SC ZINC000272740608 847160141 /nfs/dbraw/zinc/16/01/41/847160141.db2.gz KWKPTCDQNADHJB-JXFKEZNVSA-N 2 1 386.561 3.835 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC(c1ccccc1)c1ccccc1 ZINC000420407886 847171511 /nfs/dbraw/zinc/17/15/11/847171511.db2.gz VSQSACWPLSPGFY-XZOQPEGZSA-N 2 1 391.559 3.746 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000501792328 847187648 /nfs/dbraw/zinc/18/76/48/847187648.db2.gz DLBVDUZRCFXRMN-UHFFFAOYSA-N 2 1 399.501 3.631 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511124372 847219690 /nfs/dbraw/zinc/21/96/90/847219690.db2.gz SQCARNSNEWHAKZ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511124372 847219701 /nfs/dbraw/zinc/21/97/01/847219701.db2.gz SQCARNSNEWHAKZ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511124372 847219714 /nfs/dbraw/zinc/21/97/14/847219714.db2.gz SQCARNSNEWHAKZ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCc2ccccc2)Cc2cccnc2)CC1 ZINC000501900653 847308022 /nfs/dbraw/zinc/30/80/22/847308022.db2.gz QSGCOEZTVIAEJO-UHFFFAOYSA-N 2 1 380.580 3.542 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675680 847314280 /nfs/dbraw/zinc/31/42/80/847314280.db2.gz CKAJTIXOYUVFDH-XLIONFOSSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]1CC[NH+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675680 847314268 /nfs/dbraw/zinc/31/42/68/847314268.db2.gz CKAJTIXOYUVFDH-XLIONFOSSA-N 2 1 394.991 3.752 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237101955 847328620 /nfs/dbraw/zinc/32/86/20/847328620.db2.gz KOEXPOOSJYBZOS-HDICACEKSA-N 2 1 381.520 3.658 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237101955 847328625 /nfs/dbraw/zinc/32/86/25/847328625.db2.gz KOEXPOOSJYBZOS-HDICACEKSA-N 2 1 381.520 3.658 20 0 GHADMP C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000625398631 861796587 /nfs/dbraw/zinc/79/65/87/861796587.db2.gz OWNLZZOIISLPJV-NHCUHLMSSA-N 2 1 397.588 3.516 20 0 GHADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cccc(CN4CCOCC4)c3)C2)c1 ZINC000420958838 847579521 /nfs/dbraw/zinc/57/95/21/847579521.db2.gz DLIWVUWVRTWLIH-YHBQERECSA-N 2 1 380.532 3.905 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000611626091 847664948 /nfs/dbraw/zinc/66/49/48/847664948.db2.gz WEXPJFIUABRUTM-UHFFFAOYSA-N 2 1 394.991 3.676 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)C(C)C ZINC000611626091 847664950 /nfs/dbraw/zinc/66/49/50/847664950.db2.gz WEXPJFIUABRUTM-UHFFFAOYSA-N 2 1 394.991 3.676 20 0 GHADMP CN1c2ccccc2[C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000582575983 847674710 /nfs/dbraw/zinc/67/47/10/847674710.db2.gz PEIIMSWZBXUBPA-IRLDBZIGSA-N 2 1 377.532 3.986 20 0 GHADMP CN1c2ccccc2[C@@H]([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000582575983 847674716 /nfs/dbraw/zinc/67/47/16/847674716.db2.gz PEIIMSWZBXUBPA-IRLDBZIGSA-N 2 1 377.532 3.986 20 0 GHADMP CN1c2ccccc2[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000582575983 847674721 /nfs/dbraw/zinc/67/47/21/847674721.db2.gz PEIIMSWZBXUBPA-IRLDBZIGSA-N 2 1 377.532 3.986 20 0 GHADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422690831 847782428 /nfs/dbraw/zinc/78/24/28/847782428.db2.gz GYCFQSDTNFKQLZ-VAMGGRTRSA-N 2 1 397.519 3.519 20 0 GHADMP C[C@H](CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422822576 847841064 /nfs/dbraw/zinc/84/10/64/847841064.db2.gz KDLMURVETRFSRA-ZFJSRUIDSA-N 2 1 379.548 3.743 20 0 GHADMP C[C@H](CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000422822576 847841075 /nfs/dbraw/zinc/84/10/75/847841075.db2.gz KDLMURVETRFSRA-ZFJSRUIDSA-N 3 1 379.548 3.743 20 0 GHADMP C[C@H](CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[N@@H+](C)Cc1ccccc1 ZINC000422822576 847841083 /nfs/dbraw/zinc/84/10/83/847841083.db2.gz KDLMURVETRFSRA-ZFJSRUIDSA-N 3 1 379.548 3.743 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000626062095 847842219 /nfs/dbraw/zinc/84/22/19/847842219.db2.gz GZBHBGYBOWETDZ-OAHLLOKOSA-N 2 1 375.463 3.876 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854049 847855628 /nfs/dbraw/zinc/85/56/28/847855628.db2.gz CKHACIZXKZTUEH-LADGPHEKSA-N 3 1 379.548 3.872 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854049 847855640 /nfs/dbraw/zinc/85/56/40/847855640.db2.gz CKHACIZXKZTUEH-LADGPHEKSA-N 2 1 379.548 3.872 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422854049 847855646 /nfs/dbraw/zinc/85/56/46/847855646.db2.gz CKHACIZXKZTUEH-LADGPHEKSA-N 2 1 379.548 3.872 20 0 GHADMP COc1cc2[nH]c(CCC[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2c(OC)c1 ZINC000422866338 847860850 /nfs/dbraw/zinc/86/08/50/847860850.db2.gz QEHDTKZSLCHBPD-IERDGZPVSA-N 2 1 381.520 3.666 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCCC1)c1ccccc1 ZINC000503734678 847927469 /nfs/dbraw/zinc/92/74/69/847927469.db2.gz KEQIOWAOLHKPCN-TZIWHRDSSA-N 2 1 398.595 3.966 20 0 GHADMP Cc1cc(Br)c(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000657673591 848555093 /nfs/dbraw/zinc/55/50/93/848555093.db2.gz LQKFWGUZUWCJFR-UHFFFAOYSA-N 2 1 377.311 3.998 20 0 GHADMP O=C(CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(F)c1 ZINC000582993831 848843368 /nfs/dbraw/zinc/84/33/68/848843368.db2.gz ZBBCXGJVURCLCP-WOJBJXKFSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(F)c1 ZINC000582993831 848843372 /nfs/dbraw/zinc/84/33/72/848843372.db2.gz ZBBCXGJVURCLCP-WOJBJXKFSA-N 2 1 381.495 3.608 20 0 GHADMP CCCCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H](C)c1ccccc1 ZINC000604209312 861996240 /nfs/dbraw/zinc/99/62/40/861996240.db2.gz RKHYIHLGWGKPCA-PZJWPPBQSA-N 2 1 386.584 3.728 20 0 GHADMP CCCCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)c1ccccc1 ZINC000604209312 861996247 /nfs/dbraw/zinc/99/62/47/861996247.db2.gz RKHYIHLGWGKPCA-PZJWPPBQSA-N 2 1 386.584 3.728 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000472285697 849574283 /nfs/dbraw/zinc/57/42/83/849574283.db2.gz GEJOSMRXPDWROW-IBGZPJMESA-N 2 1 377.916 3.928 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000472285697 849574287 /nfs/dbraw/zinc/57/42/87/849574287.db2.gz GEJOSMRXPDWROW-IBGZPJMESA-N 2 1 377.916 3.928 20 0 GHADMP Fc1ccc(C(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000657750953 849621683 /nfs/dbraw/zinc/62/16/83/849621683.db2.gz FLAOBLCCKHZBKD-JOCHJYFZSA-N 2 1 386.486 3.940 20 0 GHADMP CN(C)C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000423104779 849754870 /nfs/dbraw/zinc/75/48/70/849754870.db2.gz MRCZMQMJRIRVNA-JAXLGGSGSA-N 2 1 385.939 3.788 20 0 GHADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423345520 849863213 /nfs/dbraw/zinc/86/32/13/849863213.db2.gz XPKDSXHWTZABEP-MZYLBHOOSA-N 2 1 386.511 3.517 20 0 GHADMP CCc1ccc([C@H]2CN(C(=O)c3ccc(C[NH+](CC)CC)cc3)CC[NH2+]2)cc1 ZINC000505556674 849863556 /nfs/dbraw/zinc/86/35/56/849863556.db2.gz BWVQHRHNHQIDPY-HSZRJFAPSA-N 2 1 379.548 3.878 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1Br ZINC000425235655 849874398 /nfs/dbraw/zinc/87/43/98/849874398.db2.gz PCKDELFJTGFLCX-OLZOCXBDSA-N 2 1 376.298 3.679 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1Br ZINC000425235655 849874411 /nfs/dbraw/zinc/87/44/11/849874411.db2.gz PCKDELFJTGFLCX-OLZOCXBDSA-N 2 1 376.298 3.679 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H](C)C1 ZINC000423424074 849906979 /nfs/dbraw/zinc/90/69/79/849906979.db2.gz CJSJEKDCEQDCBV-LSTHTHJFSA-N 2 1 375.557 3.598 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H](C)C1 ZINC000423424074 849906992 /nfs/dbraw/zinc/90/69/92/849906992.db2.gz CJSJEKDCEQDCBV-LSTHTHJFSA-N 2 1 375.557 3.598 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H]([NH3+])c1ccccc1 ZINC000583439187 849907316 /nfs/dbraw/zinc/90/73/16/849907316.db2.gz BPZJJIAUYRYIDM-SCLBCKFNSA-N 2 1 390.325 3.785 20 0 GHADMP CCc1ccc([C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC[NH2+]2)cc1 ZINC000505572942 849918947 /nfs/dbraw/zinc/91/89/47/849918947.db2.gz PDNWRTRECWDLSC-QHCPKHFHSA-N 2 1 377.532 3.632 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2cccc(Br)c21 ZINC000423523993 849967727 /nfs/dbraw/zinc/96/77/27/849967727.db2.gz WQTLIWYHMGZTME-XTUQQUOLSA-N 2 1 392.385 3.803 20 0 GHADMP CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[C@@H](C)[NH3+] ZINC000423742070 850040592 /nfs/dbraw/zinc/04/05/92/850040592.db2.gz IMUWNZNBPNEVNJ-DNVCBOLYSA-N 2 1 399.501 3.748 20 0 GHADMP O[C@@H](C[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)C[NH+]1CCCC1 ZINC000518759870 850071541 /nfs/dbraw/zinc/07/15/41/850071541.db2.gz XJPSXRUFISVBNE-KRWDZBQOSA-N 2 1 392.902 3.604 20 0 GHADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000504444374 850072099 /nfs/dbraw/zinc/07/20/99/850072099.db2.gz UNERWXSCMNFAFR-SIOWJKJVSA-N 2 1 392.975 3.503 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000423914339 850099452 /nfs/dbraw/zinc/09/94/52/850099452.db2.gz XTMLXVFMJRQUQQ-OFAXGOBFSA-N 2 1 377.532 3.833 20 0 GHADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415003554 850199463 /nfs/dbraw/zinc/19/94/63/850199463.db2.gz NGXQMYXZUXAIAG-SIKLNZKXSA-N 2 1 378.495 3.803 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)C1 ZINC000486940963 850263674 /nfs/dbraw/zinc/26/36/74/850263674.db2.gz LAMRPOAUDTYJDH-OAHLLOKOSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)C1 ZINC000486940963 850263683 /nfs/dbraw/zinc/26/36/83/850263683.db2.gz LAMRPOAUDTYJDH-OAHLLOKOSA-N 2 1 391.357 3.704 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000518879026 850277060 /nfs/dbraw/zinc/27/70/60/850277060.db2.gz IZBIWWOJKLUCSF-IBGZPJMESA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000518879026 850277074 /nfs/dbraw/zinc/27/70/74/850277074.db2.gz IZBIWWOJKLUCSF-IBGZPJMESA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000518879026 850277086 /nfs/dbraw/zinc/27/70/86/850277086.db2.gz IZBIWWOJKLUCSF-IBGZPJMESA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000518879026 850277098 /nfs/dbraw/zinc/27/70/98/850277098.db2.gz IZBIWWOJKLUCSF-IBGZPJMESA-N 2 1 379.548 3.590 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000424189069 850280840 /nfs/dbraw/zinc/28/08/40/850280840.db2.gz MTHPSURDLMWBIX-QPPBQGQZSA-N 2 1 393.575 3.768 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000424189069 850280852 /nfs/dbraw/zinc/28/08/52/850280852.db2.gz MTHPSURDLMWBIX-QPPBQGQZSA-N 2 1 393.575 3.768 20 0 GHADMP Clc1cc(I)cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000424286349 850332807 /nfs/dbraw/zinc/33/28/07/850332807.db2.gz GBSCPELPJYZPIX-UHFFFAOYSA-N 2 1 390.696 3.661 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000514817214 850343458 /nfs/dbraw/zinc/34/34/58/850343458.db2.gz AKNLONUXRLPXAX-XZDHIHRUSA-N 2 1 380.532 3.618 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1c3ccccc3CCc3ccccc31)CC[NH2+]CC2 ZINC000424283136 850353934 /nfs/dbraw/zinc/35/39/34/850353934.db2.gz AVBHCNCZCDEACS-LJQANCHMSA-N 2 1 389.543 3.914 20 0 GHADMP [NH3+][C@H](CCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)CC1CCCCC1 ZINC000424339793 850397192 /nfs/dbraw/zinc/39/71/92/850397192.db2.gz RDKJNNMLGIZKRJ-OAQYLSRUSA-N 2 1 398.551 3.799 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Br)c3c(c1)OCCCO3)CC[NH2+]CC2 ZINC000424373090 850412786 /nfs/dbraw/zinc/41/27/86/850412786.db2.gz GOWYADUPWPGLRL-CQSZACIVSA-N 2 1 395.341 3.574 20 0 GHADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OCc1cccnc1 ZINC000424378792 850416871 /nfs/dbraw/zinc/41/68/71/850416871.db2.gz NTVYHMNPTVMTEJ-SFHVURJKSA-N 2 1 381.520 3.633 20 0 GHADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506695368 850470651 /nfs/dbraw/zinc/47/06/51/850470651.db2.gz GZVFYTXFIRVKCV-RTWAWAEBSA-N 2 1 380.621 3.795 20 0 GHADMP COc1ccc(C[C@H](C)C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1F ZINC000435426783 850507424 /nfs/dbraw/zinc/50/74/24/850507424.db2.gz JSTRNQLEXANZJF-MAUKXSAKSA-N 2 1 391.556 3.890 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000439961136 850630440 /nfs/dbraw/zinc/63/04/40/850630440.db2.gz LQUFDKHWAZLRLR-YVWKXTFCSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000439961136 850630443 /nfs/dbraw/zinc/63/04/43/850630443.db2.gz LQUFDKHWAZLRLR-YVWKXTFCSA-N 2 1 375.582 3.654 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000439961136 850630446 /nfs/dbraw/zinc/63/04/46/850630446.db2.gz LQUFDKHWAZLRLR-YVWKXTFCSA-N 2 1 375.582 3.654 20 0 GHADMP Cc1ccc2c(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccnc2n1 ZINC000435575068 850661454 /nfs/dbraw/zinc/66/14/54/850661454.db2.gz PROUAWKURWGQMV-UHFFFAOYSA-N 2 1 381.568 3.571 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCC[NH2+]Cc3cccnc3)cc2)n1 ZINC000414871878 850725291 /nfs/dbraw/zinc/72/52/91/850725291.db2.gz FDZXBEQFNBHYHX-UHFFFAOYSA-N 2 1 389.425 3.556 20 0 GHADMP COc1cccc(NC(=O)CC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435693557 850774187 /nfs/dbraw/zinc/77/41/87/850774187.db2.gz MTDZCIDJKOQHCR-HXUWFJFHSA-N 2 1 399.560 3.730 20 0 GHADMP c1cc2n(n1)C[C@H](C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1)CN2 ZINC000673931476 862168993 /nfs/dbraw/zinc/16/89/93/862168993.db2.gz FXVGUGWZNOGAGX-HSZRJFAPSA-N 2 1 389.547 3.607 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000435751078 850815866 /nfs/dbraw/zinc/81/58/66/850815866.db2.gz PKHKTEHHMDEISF-HSZRJFAPSA-N 2 1 398.595 3.747 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414832422 850870460 /nfs/dbraw/zinc/87/04/60/850870460.db2.gz DMEIZYDVTJZNOR-GUYCJALGSA-N 2 1 382.346 3.663 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000440262256 850975798 /nfs/dbraw/zinc/97/57/98/850975798.db2.gz WMPHNJIDOJFHTD-ZCYQVOJMSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000440262256 850975804 /nfs/dbraw/zinc/97/58/04/850975804.db2.gz WMPHNJIDOJFHTD-ZCYQVOJMSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000440262256 850975811 /nfs/dbraw/zinc/97/58/11/850975811.db2.gz WMPHNJIDOJFHTD-ZCYQVOJMSA-N 2 1 395.591 3.908 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000519361842 850979852 /nfs/dbraw/zinc/97/98/52/850979852.db2.gz GWJMXAHLAVCHHM-PZJWPPBQSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000519361842 850979863 /nfs/dbraw/zinc/97/98/63/850979863.db2.gz GWJMXAHLAVCHHM-PZJWPPBQSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000519361842 850979877 /nfs/dbraw/zinc/97/98/77/850979877.db2.gz GWJMXAHLAVCHHM-PZJWPPBQSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000519361840 850980204 /nfs/dbraw/zinc/98/02/04/850980204.db2.gz GWJMXAHLAVCHHM-FPOVZHCZSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000519361840 850980208 /nfs/dbraw/zinc/98/02/08/850980208.db2.gz GWJMXAHLAVCHHM-FPOVZHCZSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000519361840 850980218 /nfs/dbraw/zinc/98/02/18/850980218.db2.gz GWJMXAHLAVCHHM-FPOVZHCZSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891886 850983076 /nfs/dbraw/zinc/98/30/76/850983076.db2.gz NWAUPDDJYADQRC-CTNGQTDRSA-N 2 1 386.584 3.633 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487961747 851030239 /nfs/dbraw/zinc/03/02/39/851030239.db2.gz OETHAISXIFFRGU-IBGZPJMESA-N 2 1 397.538 3.735 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487961747 851030247 /nfs/dbraw/zinc/03/02/47/851030247.db2.gz OETHAISXIFFRGU-IBGZPJMESA-N 2 1 397.538 3.735 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000519432640 851061225 /nfs/dbraw/zinc/06/12/25/851061225.db2.gz USCHIBZLUVNQLG-SFTDATJTSA-N 2 1 383.536 3.752 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(Cl)c1OC ZINC000415012338 851126046 /nfs/dbraw/zinc/12/60/46/851126046.db2.gz WZISWHJOIKAXAD-FUHWJXTLSA-N 2 1 392.902 3.979 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000519506472 851160343 /nfs/dbraw/zinc/16/03/43/851160343.db2.gz OIRBXZLIKBUNCX-UHFFFAOYSA-N 2 1 392.563 3.554 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnc(-c2ccccc2)cn1 ZINC000488130726 851189544 /nfs/dbraw/zinc/18/95/44/851189544.db2.gz XOTCDVQSDOMXKG-UHFFFAOYSA-N 2 1 393.579 3.776 20 0 GHADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]CCC[NH2+]Cc3cccnc3)cc2c1 ZINC000414880069 851293823 /nfs/dbraw/zinc/29/38/23/851293823.db2.gz PRMMJTVKOKUUSR-UHFFFAOYSA-N 2 1 389.547 3.890 20 0 GHADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1-c1ccc(Cl)cc1 ZINC000514138736 851303769 /nfs/dbraw/zinc/30/37/69/851303769.db2.gz SILVFYBZAXHDGO-KRWDZBQOSA-N 2 1 385.939 3.822 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000514201173 851369587 /nfs/dbraw/zinc/36/95/87/851369587.db2.gz CAORHAAJJUYIND-VOQZNFBZSA-N 2 1 398.526 3.563 20 0 GHADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434661042 851436526 /nfs/dbraw/zinc/43/65/26/851436526.db2.gz CHAGESFYTOHRHA-IBGZPJMESA-N 2 1 394.563 3.836 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000505803526 851532982 /nfs/dbraw/zinc/53/29/82/851532982.db2.gz WGXBPVPWDHLWIB-LJQANCHMSA-N 2 1 392.547 3.809 20 0 GHADMP CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000425544932 851594549 /nfs/dbraw/zinc/59/45/49/851594549.db2.gz FIXGMKRQPAYUGT-UHFFFAOYSA-N 2 1 399.501 3.559 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975039 851722173 /nfs/dbraw/zinc/72/21/73/851722173.db2.gz FXNNOYPLEMBFNS-NOTZXAQLSA-N 2 1 399.554 3.673 20 0 GHADMP c1ccc(N2CCC[NH+](CCC[N@H+]3CCCN(c4ccccc4)CC3)CC2)cc1 ZINC000488798005 851790125 /nfs/dbraw/zinc/79/01/25/851790125.db2.gz SWWJTGQIAOMGTF-UHFFFAOYSA-N 2 1 392.591 3.801 20 0 GHADMP CC1(C)C[N@H+](Cc2cc3n(n2)CCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834955 851815478 /nfs/dbraw/zinc/81/54/78/851815478.db2.gz AKKRRVRHZBMNRT-HSZRJFAPSA-N 2 1 378.564 3.952 20 0 GHADMP CC1(C)C[N@@H+](Cc2cc3n(n2)CCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664834955 851815491 /nfs/dbraw/zinc/81/54/91/851815491.db2.gz AKKRRVRHZBMNRT-HSZRJFAPSA-N 2 1 378.564 3.952 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473743583 851818039 /nfs/dbraw/zinc/81/80/39/851818039.db2.gz NQPQMNIKXZSFSE-FKVLARQCSA-N 2 1 386.584 3.726 20 0 GHADMP CO[C@H](C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000664837588 851879873 /nfs/dbraw/zinc/87/98/73/851879873.db2.gz PRQBKMQPODLCTP-ZRBLBEILSA-N 2 1 386.580 3.661 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)s2)cc1OC ZINC000425948128 852031444 /nfs/dbraw/zinc/03/14/44/852031444.db2.gz AEWKFQJOMRGMOS-LSDHHAIUSA-N 2 1 391.581 3.908 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000489208636 852120010 /nfs/dbraw/zinc/12/00/10/852120010.db2.gz VQKAHVVDTQVYKL-WMZHIEFXSA-N 2 1 396.579 3.937 20 0 GHADMP C[N@H+](CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000489267576 852166811 /nfs/dbraw/zinc/16/68/11/852166811.db2.gz HKKISLDGXGSFSV-UHFFFAOYSA-N 2 1 381.520 3.622 20 0 GHADMP C[N@@H+](CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000489267576 852166821 /nfs/dbraw/zinc/16/68/21/852166821.db2.gz HKKISLDGXGSFSV-UHFFFAOYSA-N 2 1 381.520 3.622 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425981676 852257172 /nfs/dbraw/zinc/25/71/72/852257172.db2.gz SICYQUIKJMWFRW-HSZRJFAPSA-N 2 1 395.934 3.957 20 0 GHADMP CN(Cc1ccc(Cl)c2cccnc12)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425981676 852257184 /nfs/dbraw/zinc/25/71/84/852257184.db2.gz SICYQUIKJMWFRW-HSZRJFAPSA-N 2 1 395.934 3.957 20 0 GHADMP CN(Cc1ccc(Cl)c2cccnc12)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425981676 852257190 /nfs/dbraw/zinc/25/71/90/852257190.db2.gz SICYQUIKJMWFRW-HSZRJFAPSA-N 2 1 395.934 3.957 20 0 GHADMP C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167983769 852259081 /nfs/dbraw/zinc/25/90/81/852259081.db2.gz HLPCXZMQAQKSQE-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167983769 852259094 /nfs/dbraw/zinc/25/90/94/852259094.db2.gz HLPCXZMQAQKSQE-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167983769 852259107 /nfs/dbraw/zinc/25/91/07/852259107.db2.gz HLPCXZMQAQKSQE-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167983769 852259116 /nfs/dbraw/zinc/25/91/16/852259116.db2.gz HLPCXZMQAQKSQE-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000489448642 852364361 /nfs/dbraw/zinc/36/43/61/852364361.db2.gz RRKCKFWFLPGOMS-VWPQPMDRSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000489448642 852364363 /nfs/dbraw/zinc/36/43/63/852364363.db2.gz RRKCKFWFLPGOMS-VWPQPMDRSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000489448642 852364371 /nfs/dbraw/zinc/36/43/71/852364371.db2.gz RRKCKFWFLPGOMS-VWPQPMDRSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000489636895 852500600 /nfs/dbraw/zinc/50/06/00/852500600.db2.gz VGOKJWHRSZDZQY-XMMPIXPASA-N 2 1 396.575 3.887 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489650317 852508894 /nfs/dbraw/zinc/50/88/94/852508894.db2.gz RBFMWQDRCCEFBW-UHFFFAOYSA-N 2 1 393.575 3.879 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000489678258 852527304 /nfs/dbraw/zinc/52/73/04/852527304.db2.gz NSCJKLUPNAKFCH-IBGZPJMESA-N 2 1 388.556 3.525 20 0 GHADMP C[C@@H](c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1)[NH+]1CCOCC1 ZINC000518024926 852725485 /nfs/dbraw/zinc/72/54/85/852725485.db2.gz DCIWTCVBKJCAGY-IBGZPJMESA-N 2 1 393.531 3.928 20 0 GHADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(Br)c1OC(F)F ZINC000414898975 852818390 /nfs/dbraw/zinc/81/83/90/852818390.db2.gz BKULBBXFVQVNMN-GFCCVEGCSA-N 2 1 393.272 3.681 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000427301115 852953712 /nfs/dbraw/zinc/95/37/12/852953712.db2.gz HZRCAVFVVOSREQ-NQIIRXRSSA-N 2 1 397.588 3.744 20 0 GHADMP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000427301115 852953715 /nfs/dbraw/zinc/95/37/15/852953715.db2.gz HZRCAVFVVOSREQ-NQIIRXRSSA-N 2 1 397.588 3.744 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437347659 853044588 /nfs/dbraw/zinc/04/45/88/853044588.db2.gz PNQIOGSGGYZLMM-QUCCMNQESA-N 2 1 387.568 3.720 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1 ZINC001167986448 853086760 /nfs/dbraw/zinc/08/67/60/853086760.db2.gz FHYDTOJCIBFYTH-SRDOODBNSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167986448 853086763 /nfs/dbraw/zinc/08/67/63/853086763.db2.gz FHYDTOJCIBFYTH-SRDOODBNSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167986448 853086769 /nfs/dbraw/zinc/08/67/69/853086769.db2.gz FHYDTOJCIBFYTH-SRDOODBNSA-N 2 1 389.584 3.725 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCN1CCSCC1)C1CCCCC1 ZINC000490551792 853087160 /nfs/dbraw/zinc/08/71/60/853087160.db2.gz ZRTLKZLZMGFNFU-UHFFFAOYSA-N 2 1 390.597 3.621 20 0 GHADMP C[N@H+](Cc1ccccc1NC(=O)NCC[NH+]1CCSCC1)C1CCCCC1 ZINC000490551792 853087170 /nfs/dbraw/zinc/08/71/70/853087170.db2.gz ZRTLKZLZMGFNFU-UHFFFAOYSA-N 2 1 390.597 3.621 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[NH+]1CCSCC1)C1CCCCC1 ZINC000490551792 853087179 /nfs/dbraw/zinc/08/71/79/853087179.db2.gz ZRTLKZLZMGFNFU-UHFFFAOYSA-N 2 1 390.597 3.621 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000414905240 853129290 /nfs/dbraw/zinc/12/92/90/853129290.db2.gz OFCSTSJTAMIRFF-IHPCNDPISA-N 2 1 381.524 3.646 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473756 853241386 /nfs/dbraw/zinc/24/13/86/853241386.db2.gz JHTLMHFONUYKJZ-HBFSDRIKSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473756 853241395 /nfs/dbraw/zinc/24/13/95/853241395.db2.gz JHTLMHFONUYKJZ-HBFSDRIKSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473756 853241401 /nfs/dbraw/zinc/24/14/01/853241401.db2.gz JHTLMHFONUYKJZ-HBFSDRIKSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473756 853241411 /nfs/dbraw/zinc/24/14/11/853241411.db2.gz JHTLMHFONUYKJZ-HBFSDRIKSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490780003 853255440 /nfs/dbraw/zinc/25/54/40/853255440.db2.gz DDLHGOZIBQABDU-XJABCFGWSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490780003 853255446 /nfs/dbraw/zinc/25/54/46/853255446.db2.gz DDLHGOZIBQABDU-XJABCFGWSA-N 2 1 399.966 3.970 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167987803 853322684 /nfs/dbraw/zinc/32/26/84/853322684.db2.gz NFKHMUAPSJDGND-JKWVGCSGSA-N 2 1 391.600 3.969 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167987803 853322690 /nfs/dbraw/zinc/32/26/90/853322690.db2.gz NFKHMUAPSJDGND-JKWVGCSGSA-N 2 1 391.600 3.969 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167987803 853322697 /nfs/dbraw/zinc/32/26/97/853322697.db2.gz NFKHMUAPSJDGND-JKWVGCSGSA-N 2 1 391.600 3.969 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167987803 853322701 /nfs/dbraw/zinc/32/27/01/853322701.db2.gz NFKHMUAPSJDGND-JKWVGCSGSA-N 2 1 391.600 3.969 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437632522 853339534 /nfs/dbraw/zinc/33/95/34/853339534.db2.gz BEXGLFMZWIEQJD-CTNGQTDRSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437632522 853339542 /nfs/dbraw/zinc/33/95/42/853339542.db2.gz BEXGLFMZWIEQJD-CTNGQTDRSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437632522 853339553 /nfs/dbraw/zinc/33/95/53/853339553.db2.gz BEXGLFMZWIEQJD-CTNGQTDRSA-N 2 1 378.605 3.595 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000426288539 853342197 /nfs/dbraw/zinc/34/21/97/853342197.db2.gz JKJGCXQIYJCMRH-REWPJTCUSA-N 2 1 384.495 3.651 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491017257 853398286 /nfs/dbraw/zinc/39/82/86/853398286.db2.gz CRSWZQHEEOBEEF-RDPSFJRHSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491017257 853398296 /nfs/dbraw/zinc/39/82/96/853398296.db2.gz CRSWZQHEEOBEEF-RDPSFJRHSA-N 2 1 379.548 3.937 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000491024741 853404169 /nfs/dbraw/zinc/40/41/69/853404169.db2.gz AYOWVDLCIZCMAI-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000491024741 853404179 /nfs/dbraw/zinc/40/41/79/853404179.db2.gz AYOWVDLCIZCMAI-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000491024741 853404187 /nfs/dbraw/zinc/40/41/87/853404187.db2.gz AYOWVDLCIZCMAI-FYYLOGMGSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1cc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000290973626 853533205 /nfs/dbraw/zinc/53/32/05/853533205.db2.gz UGTZHDLCTBJEHU-UHFFFAOYSA-N 2 1 399.583 3.587 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000519937729 853648443 /nfs/dbraw/zinc/64/84/43/853648443.db2.gz IZODHWDBEOCBOP-HSZRJFAPSA-N 2 1 394.563 3.775 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000604788933 862486653 /nfs/dbraw/zinc/48/66/53/862486653.db2.gz UKSBFLBPPWMJPQ-NRFANRHFSA-N 2 1 388.600 3.579 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000604788934 862486815 /nfs/dbraw/zinc/48/68/15/862486815.db2.gz UKSBFLBPPWMJPQ-OAQYLSRUSA-N 2 1 388.600 3.579 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623898338 862496876 /nfs/dbraw/zinc/49/68/76/862496876.db2.gz FVEWPJKASSLBQR-FUHIMQAGSA-N 2 1 387.549 3.621 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623898338 862496882 /nfs/dbraw/zinc/49/68/82/862496882.db2.gz FVEWPJKASSLBQR-FUHIMQAGSA-N 2 1 387.549 3.621 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167988926 853760699 /nfs/dbraw/zinc/76/06/99/853760699.db2.gz VKHJVVPZBXRPBM-JUJYPNOZSA-N 2 1 389.584 3.581 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000604814190 862524610 /nfs/dbraw/zinc/52/46/10/862524610.db2.gz RPZHGRXXNDBINH-IBGZPJMESA-N 2 1 392.547 3.527 20 0 GHADMP O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000579235578 854087752 /nfs/dbraw/zinc/08/77/52/854087752.db2.gz UNHRKLXMILGIPU-KRWDZBQOSA-N 2 1 378.520 3.778 20 0 GHADMP C[N@@H+](CCc1cccc(NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1)C1CC1 ZINC000571818402 854167711 /nfs/dbraw/zinc/16/77/11/854167711.db2.gz GUSZFBVFCMRPKX-OAQYLSRUSA-N 2 1 377.532 3.784 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1)C1CC1 ZINC000571818402 854167715 /nfs/dbraw/zinc/16/77/15/854167715.db2.gz GUSZFBVFCMRPKX-OAQYLSRUSA-N 2 1 377.532 3.784 20 0 GHADMP C[NH+](CCc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1)C1CC1 ZINC000571818402 854167723 /nfs/dbraw/zinc/16/77/23/854167723.db2.gz GUSZFBVFCMRPKX-OAQYLSRUSA-N 2 1 377.532 3.784 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000473916779 854247912 /nfs/dbraw/zinc/24/79/12/854247912.db2.gz ASMWDIHKBZMZDV-UHFFFAOYSA-N 2 1 376.541 3.989 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000588268365 854262988 /nfs/dbraw/zinc/26/29/88/854262988.db2.gz IQUZESBLFXEHGU-IBGZPJMESA-N 2 1 380.964 3.506 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc2c(cccc2Cl)c1C ZINC000505818111 862553609 /nfs/dbraw/zinc/55/36/09/862553609.db2.gz MIWQNLIEASTEIL-INIZCTEOSA-N 2 1 391.943 3.883 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000123393755 854404462 /nfs/dbraw/zinc/40/44/62/854404462.db2.gz HFMXSLJCVSMGOY-HDICACEKSA-N 2 1 381.520 3.658 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000123393755 854404468 /nfs/dbraw/zinc/40/44/68/854404468.db2.gz HFMXSLJCVSMGOY-HDICACEKSA-N 2 1 381.520 3.658 20 0 GHADMP O=C1C[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993997 854427632 /nfs/dbraw/zinc/42/76/32/854427632.db2.gz VTJSCWZHLZWHFS-OTTNMNEJSA-N 2 1 397.538 3.660 20 0 GHADMP O=C1C[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993997 854427633 /nfs/dbraw/zinc/42/76/33/854427633.db2.gz VTJSCWZHLZWHFS-OTTNMNEJSA-N 2 1 397.538 3.660 20 0 GHADMP O=C1C[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993997 854427637 /nfs/dbraw/zinc/42/76/37/854427637.db2.gz VTJSCWZHLZWHFS-OTTNMNEJSA-N 2 1 397.538 3.660 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000572495873 854524522 /nfs/dbraw/zinc/52/45/22/854524522.db2.gz LOZFEZPDMHJZLC-CQSZACIVSA-N 2 1 393.466 3.848 20 0 GHADMP O=C(C1CCC1)N(CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000567851490 862576548 /nfs/dbraw/zinc/57/65/48/862576548.db2.gz LVERZKYCXFTRAZ-QFIPXVFZSA-N 2 1 395.591 3.954 20 0 GHADMP O=C(C1CCC1)N(CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000567851490 862576556 /nfs/dbraw/zinc/57/65/56/862576556.db2.gz LVERZKYCXFTRAZ-QFIPXVFZSA-N 2 1 395.591 3.954 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754076 854692950 /nfs/dbraw/zinc/69/29/50/854692950.db2.gz MPCFELLLEDDVLY-UHFFFAOYSA-N 2 1 382.302 3.541 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000073843486 854738888 /nfs/dbraw/zinc/73/88/88/854738888.db2.gz QBFIPABKTGTIAL-UHFFFAOYSA-N 2 1 379.548 3.877 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc12 ZINC000111391202 854747651 /nfs/dbraw/zinc/74/76/51/854747651.db2.gz WRFICSSLEIKNHM-SEJPIABJSA-N 2 1 375.520 3.562 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(C)cc3)n2)[C@@H](C)C1 ZINC000482009979 862605652 /nfs/dbraw/zinc/60/56/52/862605652.db2.gz QNVYKIKSIYZIBF-UGKGYDQZSA-N 2 1 385.552 3.919 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C)C1=O ZINC001168047774 862612791 /nfs/dbraw/zinc/61/27/91/862612791.db2.gz SLLPQONYDAOWFH-KKYITRMCSA-N 2 1 383.580 3.618 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C)C1=O ZINC001168047774 862612794 /nfs/dbraw/zinc/61/27/94/862612794.db2.gz SLLPQONYDAOWFH-KKYITRMCSA-N 2 1 383.580 3.618 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C)C1=O ZINC001168047774 862612797 /nfs/dbraw/zinc/61/27/97/862612797.db2.gz SLLPQONYDAOWFH-KKYITRMCSA-N 2 1 383.580 3.618 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000482020473 862615219 /nfs/dbraw/zinc/61/52/19/862615219.db2.gz YRCHTLFANOIRQP-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)o1 ZINC000482020473 862615224 /nfs/dbraw/zinc/61/52/24/862615224.db2.gz YRCHTLFANOIRQP-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)o1 ZINC000482020473 862615230 /nfs/dbraw/zinc/61/52/30/862615230.db2.gz YRCHTLFANOIRQP-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000482020473 862615234 /nfs/dbraw/zinc/61/52/34/862615234.db2.gz YRCHTLFANOIRQP-SFHVURJKSA-N 2 1 382.504 3.897 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624052937 862615435 /nfs/dbraw/zinc/61/54/35/862615435.db2.gz UIANUFQYEMANAR-OSYLJGHBSA-N 2 1 378.442 3.724 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624052937 862615440 /nfs/dbraw/zinc/61/54/40/862615440.db2.gz UIANUFQYEMANAR-OSYLJGHBSA-N 2 1 378.442 3.724 20 0 GHADMP FC(F)(F)c1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000189221733 855035618 /nfs/dbraw/zinc/03/56/18/855035618.db2.gz ZKIGRRTXDHPEGI-CYBMUJFWSA-N 2 1 376.850 3.949 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466714 855069849 /nfs/dbraw/zinc/06/98/49/855069849.db2.gz UIMAJIZUXBHDJO-RBBKRZOGSA-N 2 1 388.596 3.840 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441466714 855069858 /nfs/dbraw/zinc/06/98/58/855069858.db2.gz UIMAJIZUXBHDJO-RBBKRZOGSA-N 2 1 388.596 3.840 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1OC ZINC000520467219 855099741 /nfs/dbraw/zinc/09/97/41/855099741.db2.gz HJIOVTOLDPUDRW-VXKWHMMOSA-N 2 1 380.532 3.966 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1OC ZINC000520467219 855099743 /nfs/dbraw/zinc/09/97/43/855099743.db2.gz HJIOVTOLDPUDRW-VXKWHMMOSA-N 2 1 380.532 3.966 20 0 GHADMP O=C1c2ccccc2[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)N1Cc1ccccc1 ZINC000624106764 862658702 /nfs/dbraw/zinc/65/87/02/862658702.db2.gz NSXKEXYBMIJEHT-XMMPIXPASA-N 2 1 389.543 3.848 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)c2)CC1 ZINC000590347133 855376498 /nfs/dbraw/zinc/37/64/98/855376498.db2.gz PPFRSZCRGFEEQA-OAQYLSRUSA-N 2 1 398.551 3.614 20 0 GHADMP CC1(C)[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)CC[C@@]12c1ccccc1OC2=O ZINC001168001787 855506663 /nfs/dbraw/zinc/50/66/63/855506663.db2.gz HRYZDLNLIOSPRH-PZLRFAAKSA-N 2 1 380.532 3.733 20 0 GHADMP CC1(C)[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@]12c1ccccc1OC2=O ZINC001168001787 855506669 /nfs/dbraw/zinc/50/66/69/855506669.db2.gz HRYZDLNLIOSPRH-PZLRFAAKSA-N 2 1 380.532 3.733 20 0 GHADMP CC1(C)[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@]12c1ccccc1OC2=O ZINC001168001787 855506677 /nfs/dbraw/zinc/50/66/77/855506677.db2.gz HRYZDLNLIOSPRH-PZLRFAAKSA-N 2 1 380.532 3.733 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000590670038 855540708 /nfs/dbraw/zinc/54/07/08/855540708.db2.gz PSHCAPVRVTZQHV-MRXNPFEDSA-N 2 1 392.425 3.508 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000057631573 855557301 /nfs/dbraw/zinc/55/73/01/855557301.db2.gz ITUJNTGFKBDKMB-UHFFFAOYSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000579473217 855573244 /nfs/dbraw/zinc/57/32/44/855573244.db2.gz LRKRJVYACBHJDX-HNNXBMFYSA-N 2 1 391.357 3.929 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000579473217 855573249 /nfs/dbraw/zinc/57/32/49/855573249.db2.gz LRKRJVYACBHJDX-HNNXBMFYSA-N 2 1 391.357 3.929 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002405 855596646 /nfs/dbraw/zinc/59/66/46/855596646.db2.gz REDTUAVQGWEFFH-FFSRPXEDSA-N 2 1 394.563 3.904 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002405 855596653 /nfs/dbraw/zinc/59/66/53/855596653.db2.gz REDTUAVQGWEFFH-FFSRPXEDSA-N 2 1 394.563 3.904 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002405 855596657 /nfs/dbraw/zinc/59/66/57/855596657.db2.gz REDTUAVQGWEFFH-FFSRPXEDSA-N 2 1 394.563 3.904 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002405 855596663 /nfs/dbraw/zinc/59/66/63/855596663.db2.gz REDTUAVQGWEFFH-FFSRPXEDSA-N 2 1 394.563 3.904 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000465709104 855625642 /nfs/dbraw/zinc/62/56/42/855625642.db2.gz NQWGNMCZKMTEJS-NQIIRXRSSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000465709104 855625644 /nfs/dbraw/zinc/62/56/44/855625644.db2.gz NQWGNMCZKMTEJS-NQIIRXRSSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000465709104 855625646 /nfs/dbraw/zinc/62/56/46/855625646.db2.gz NQWGNMCZKMTEJS-NQIIRXRSSA-N 2 1 386.584 3.733 20 0 GHADMP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002827 855631319 /nfs/dbraw/zinc/63/13/19/855631319.db2.gz ZLDSBDXRFKIGHA-NPZNXQLHSA-N 2 1 397.607 3.615 20 0 GHADMP CC[NH+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002827 855631322 /nfs/dbraw/zinc/63/13/22/855631322.db2.gz ZLDSBDXRFKIGHA-NPZNXQLHSA-N 2 1 397.607 3.615 20 0 GHADMP CC[NH+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002827 855631326 /nfs/dbraw/zinc/63/13/26/855631326.db2.gz ZLDSBDXRFKIGHA-NPZNXQLHSA-N 2 1 397.607 3.615 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)c1 ZINC000573084100 855858800 /nfs/dbraw/zinc/85/88/00/855858800.db2.gz LNCZZUWSFIAMGH-NHYNNZIHSA-N 2 1 394.559 3.828 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474798919 855928709 /nfs/dbraw/zinc/92/87/09/855928709.db2.gz MFSMQCIXUMCFIP-WQUXRXDGSA-N 2 1 384.486 3.970 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC(C(F)(F)F)CC1 ZINC000474798919 855928713 /nfs/dbraw/zinc/92/87/13/855928713.db2.gz MFSMQCIXUMCFIP-WQUXRXDGSA-N 2 1 384.486 3.970 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000591407130 855962650 /nfs/dbraw/zinc/96/26/50/855962650.db2.gz JOVUSAURSTWYEY-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000591407130 855962653 /nfs/dbraw/zinc/96/26/53/855962653.db2.gz JOVUSAURSTWYEY-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000591407130 855962657 /nfs/dbraw/zinc/96/26/57/855962657.db2.gz JOVUSAURSTWYEY-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591438841 855986890 /nfs/dbraw/zinc/98/68/90/855986890.db2.gz NJKVUKDGAFURKO-MOPGFXCFSA-N 2 1 398.551 3.511 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591438841 855986911 /nfs/dbraw/zinc/98/69/11/855986911.db2.gz NJKVUKDGAFURKO-MOPGFXCFSA-N 2 1 398.551 3.511 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828987 855988998 /nfs/dbraw/zinc/98/89/98/855988998.db2.gz ARSMYYRUYCYLHZ-ZCNNSNEGSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828987 855989009 /nfs/dbraw/zinc/98/90/09/855989009.db2.gz ARSMYYRUYCYLHZ-ZCNNSNEGSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760828987 855989015 /nfs/dbraw/zinc/98/90/15/855989015.db2.gz ARSMYYRUYCYLHZ-ZCNNSNEGSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000172588444 856056066 /nfs/dbraw/zinc/05/60/66/856056066.db2.gz PCCXGCHDWSPUIW-QHCPKHFHSA-N 2 1 391.559 3.877 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1sccc1Br ZINC000542848829 856127031 /nfs/dbraw/zinc/12/70/31/856127031.db2.gz GYNJBGKQGFNZKQ-CJNGLKHVSA-N 2 1 395.366 3.928 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1sccc1Br ZINC000542848829 856127040 /nfs/dbraw/zinc/12/70/40/856127040.db2.gz GYNJBGKQGFNZKQ-CJNGLKHVSA-N 2 1 395.366 3.928 20 0 GHADMP COc1ccc([C@H]2C[C@H]([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168674646 856528761 /nfs/dbraw/zinc/52/87/61/856528761.db2.gz ZDMMDUWRZURUJF-STAYPELNSA-N 2 1 392.543 3.979 20 0 GHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000043771589 856576499 /nfs/dbraw/zinc/57/64/99/856576499.db2.gz ONBPKXWGPYEEJS-GOSISDBHSA-N 2 1 397.588 3.911 20 0 GHADMP C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000043771589 856576513 /nfs/dbraw/zinc/57/65/13/856576513.db2.gz ONBPKXWGPYEEJS-GOSISDBHSA-N 2 1 397.588 3.911 20 0 GHADMP Oc1ccc(C2CCC([NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)CC2)cc1 ZINC000668490809 856609889 /nfs/dbraw/zinc/60/98/89/856609889.db2.gz YACHXIXSHFRNBM-JVPYDEADSA-N 2 1 380.532 3.775 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1Br ZINC000507895108 856641710 /nfs/dbraw/zinc/64/17/10/856641710.db2.gz ZXXIBIIZYUPCAN-MRXNPFEDSA-N 2 1 382.346 3.714 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1Br ZINC000507895108 856641718 /nfs/dbraw/zinc/64/17/18/856641718.db2.gz ZXXIBIIZYUPCAN-MRXNPFEDSA-N 2 1 382.346 3.714 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)Cc2ccccc2C)cc1 ZINC000542887098 856669601 /nfs/dbraw/zinc/66/96/01/856669601.db2.gz WDGONGROYDWSNG-RBUKOAKNSA-N 2 1 390.531 3.887 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C[C@H](C)O1 ZINC000062252900 856681477 /nfs/dbraw/zinc/68/14/77/856681477.db2.gz FVAVBGCBEVXAPS-HDICACEKSA-N 2 1 390.959 3.564 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccc(Cl)cc43)cc2)C1 ZINC000658141753 856795372 /nfs/dbraw/zinc/79/53/72/856795372.db2.gz UKYQAUQOGXOQBC-TZIWHRDSSA-N 2 1 386.923 3.910 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H](C(N)=O)c3ccc(F)cc3)cc2)C1 ZINC000245406493 856828173 /nfs/dbraw/zinc/82/81/73/856828173.db2.gz XMOWUNVOJWADBE-HYFFOGBASA-N 2 1 383.511 3.620 20 0 GHADMP c1cn2c(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c(-c3ccccc3)nc2s1 ZINC000733333776 862874824 /nfs/dbraw/zinc/87/48/24/862874824.db2.gz VWXFKSWFFKWASD-LJQANCHMSA-N 2 1 396.560 3.796 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000703532903 857195843 /nfs/dbraw/zinc/19/58/43/857195843.db2.gz CKRYSBYKUPAECF-HXUWFJFHSA-N 2 1 387.568 3.793 20 0 GHADMP CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000658296134 857272797 /nfs/dbraw/zinc/27/27/97/857272797.db2.gz GNULUIXNSBNECL-MYGLTJDJSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574335720 857709849 /nfs/dbraw/zinc/70/98/49/857709849.db2.gz CAEBTXRHMWNDQI-YYWHXJBOSA-N 2 1 388.502 3.616 20 0 GHADMP Cc1ccc([C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000665282162 857781583 /nfs/dbraw/zinc/78/15/83/857781583.db2.gz SBYWOBGXJLGEKQ-FGZHOGPDSA-N 2 1 388.577 3.759 20 0 GHADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000665281694 857790203 /nfs/dbraw/zinc/79/02/03/857790203.db2.gz JKRZOMHERGCWNR-UXHICEINSA-N 2 1 394.968 3.796 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc4[nH]c(=O)oc4c3)CC2)oc1C ZINC000671747112 857822881 /nfs/dbraw/zinc/82/28/81/857822881.db2.gz JHXQHRWBOOBNPD-CQSZACIVSA-N 2 1 384.480 3.701 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451820 857890600 /nfs/dbraw/zinc/89/06/00/857890600.db2.gz OOBLVSSFHSOWIB-FKBYEOEOSA-N 2 1 394.563 3.910 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574451820 857890608 /nfs/dbraw/zinc/89/06/08/857890608.db2.gz OOBLVSSFHSOWIB-FKBYEOEOSA-N 2 1 394.563 3.910 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cnc(-c3ccccc3)s2)c2cccs2)CC1 ZINC000521333810 857895740 /nfs/dbraw/zinc/89/57/40/857895740.db2.gz QQWPRVCQIQWURD-LJQANCHMSA-N 2 1 398.601 3.950 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000605339787 862967139 /nfs/dbraw/zinc/96/71/39/862967139.db2.gz NVLZMFSMVJHJIF-MOPGFXCFSA-N 2 1 390.572 3.792 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000521461479 858004097 /nfs/dbraw/zinc/00/40/97/858004097.db2.gz ORLPALNOCDZFDI-QUCCMNQESA-N 2 1 377.598 3.587 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000594295950 858032623 /nfs/dbraw/zinc/03/26/23/858032623.db2.gz BGLMZIQUMWOPMV-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@@H](c2ccccc2)C1 ZINC000442704036 858063334 /nfs/dbraw/zinc/06/33/34/858063334.db2.gz BLRISKFRSRCLAT-NBGIEHNGSA-N 2 1 388.559 3.604 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(Cl)cc1 ZINC000574518164 858066385 /nfs/dbraw/zinc/06/63/85/858066385.db2.gz WAMVVTGWLRZVTJ-NRFANRHFSA-N 2 1 397.950 3.857 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(Cl)cc1 ZINC000574518164 858066392 /nfs/dbraw/zinc/06/63/92/858066392.db2.gz WAMVVTGWLRZVTJ-NRFANRHFSA-N 2 1 397.950 3.857 20 0 GHADMP COCCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000442719635 858089768 /nfs/dbraw/zinc/08/97/68/858089768.db2.gz RQZMWSOGPMTDOG-XMMPIXPASA-N 2 1 399.554 3.831 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000673066803 858130007 /nfs/dbraw/zinc/13/00/07/858130007.db2.gz IMEXDXQUSHMRKW-WBADGQHESA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000673066803 858130016 /nfs/dbraw/zinc/13/00/16/858130016.db2.gz IMEXDXQUSHMRKW-WBADGQHESA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000673066803 858130020 /nfs/dbraw/zinc/13/00/20/858130020.db2.gz IMEXDXQUSHMRKW-WBADGQHESA-N 2 1 383.580 3.668 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C12CCC2 ZINC000181737402 862992442 /nfs/dbraw/zinc/99/24/42/862992442.db2.gz CTINMNOJBPPCIZ-RTBURBONSA-N 2 1 377.598 3.855 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]n1 ZINC000442881318 858201806 /nfs/dbraw/zinc/20/18/06/858201806.db2.gz MHYDHVOJBQVUFE-UHFFFAOYSA-N 2 1 378.442 3.917 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000181769281 863008454 /nfs/dbraw/zinc/00/84/54/863008454.db2.gz ARXZVRBPUUJTFM-XUJVJEKNSA-N 2 1 379.854 3.841 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553007 858359641 /nfs/dbraw/zinc/35/96/41/858359641.db2.gz AIRRVHQQWLEVBP-FUICEZJUSA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553007 858359650 /nfs/dbraw/zinc/35/96/50/858359650.db2.gz AIRRVHQQWLEVBP-FUICEZJUSA-N 2 1 396.938 3.572 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000079554705 858571322 /nfs/dbraw/zinc/57/13/22/858571322.db2.gz RXWKYMPAAIZNHI-JOCHJYFZSA-N 2 1 386.584 3.585 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000522116529 858639979 /nfs/dbraw/zinc/63/99/79/858639979.db2.gz GPNHJNTUDAUVLZ-RPWUZVMVSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000522160570 858682374 /nfs/dbraw/zinc/68/23/74/858682374.db2.gz GIUMTAVPCXRNKC-FQEVSTJZSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000183352665 858725488 /nfs/dbraw/zinc/72/54/88/858725488.db2.gz LLGPBSCCISGTSD-VWLOTQADSA-N 2 1 395.591 3.998 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)c1 ZINC000676716227 858774866 /nfs/dbraw/zinc/77/48/66/858774866.db2.gz SIZQJNZCAHJBPT-QHAWAJNXSA-N 2 1 387.568 3.514 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3c(F)cccc3F)C2=O)cc1 ZINC000183689451 858798005 /nfs/dbraw/zinc/79/80/05/858798005.db2.gz WACHRUBERVEOMK-XOBRGWDASA-N 2 1 396.441 3.915 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)cc1 ZINC000532186845 881359258 /nfs/dbraw/zinc/35/92/58/881359258.db2.gz SSYYYKSCHXORQS-DVECYGJZSA-N 2 1 390.531 3.732 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482861599 858926614 /nfs/dbraw/zinc/92/66/14/858926614.db2.gz CIPFPJOTDJVQIG-ZOBUZTSGSA-N 2 1 389.367 3.976 20 0 GHADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000532187405 881361626 /nfs/dbraw/zinc/36/16/26/881361626.db2.gz DJPPXPKACISRMF-GDBMZVCRSA-N 2 1 378.611 3.715 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146497 858936464 /nfs/dbraw/zinc/93/64/64/858936464.db2.gz IIWBCAQNNJWBPE-RPBOFIJWSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146497 858936467 /nfs/dbraw/zinc/93/64/67/858936467.db2.gz IIWBCAQNNJWBPE-RPBOFIJWSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146497 858936473 /nfs/dbraw/zinc/93/64/73/858936473.db2.gz IIWBCAQNNJWBPE-RPBOFIJWSA-N 2 1 392.543 3.952 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc(O[C@@H]5CCOC5)cc4)C3)C2)cc1 ZINC000668146497 858936476 /nfs/dbraw/zinc/93/64/76/858936476.db2.gz IIWBCAQNNJWBPE-RPBOFIJWSA-N 2 1 392.543 3.952 20 0 GHADMP C[C@@H]1CCC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000443578172 858972564 /nfs/dbraw/zinc/97/25/64/858972564.db2.gz QDAQWLYXAXAFMZ-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162186 858975271 /nfs/dbraw/zinc/97/52/71/858975271.db2.gz QORRXUQIPYMZMK-NRFANRHFSA-N 2 1 398.526 3.613 20 0 GHADMP C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162186 858975279 /nfs/dbraw/zinc/97/52/79/858975279.db2.gz QORRXUQIPYMZMK-NRFANRHFSA-N 2 1 398.526 3.613 20 0 GHADMP CC(C)(CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000543262108 859075363 /nfs/dbraw/zinc/07/53/63/859075363.db2.gz KDFHGBYBWOBJKM-IBGZPJMESA-N 2 1 386.584 3.874 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000522338332 859077921 /nfs/dbraw/zinc/07/79/21/859077921.db2.gz LUEBZEGGZBUUJQ-OALUTQOASA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185660564 859113652 /nfs/dbraw/zinc/11/36/52/859113652.db2.gz LYZQRUNYNJANJB-SOLBZPMBSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185660564 859113659 /nfs/dbraw/zinc/11/36/59/859113659.db2.gz LYZQRUNYNJANJB-SOLBZPMBSA-N 2 1 377.960 3.760 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ccc4c(c2)COC42C[NH2+]C2)C3)cc1 ZINC001170336909 881383234 /nfs/dbraw/zinc/38/32/34/881383234.db2.gz HHUYKRCDPFKDPH-DKUWSORSSA-N 2 1 375.516 3.623 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185663910 859114304 /nfs/dbraw/zinc/11/43/04/859114304.db2.gz VQEBDZHOTCLOQK-HKUYNNGSSA-N 2 1 389.609 3.610 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185663910 859114309 /nfs/dbraw/zinc/11/43/09/859114309.db2.gz VQEBDZHOTCLOQK-HKUYNNGSSA-N 2 1 389.609 3.610 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)ccn1 ZINC000856553220 881384199 /nfs/dbraw/zinc/38/41/99/881384199.db2.gz KGRRDUIBNYWYCM-QFIPXVFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)ccn1 ZINC000856553220 881384216 /nfs/dbraw/zinc/38/42/16/881384216.db2.gz KGRRDUIBNYWYCM-QFIPXVFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)C2)ccn1 ZINC000856553220 881384234 /nfs/dbraw/zinc/38/42/34/881384234.db2.gz KGRRDUIBNYWYCM-QFIPXVFZSA-N 2 1 395.547 3.900 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734065 859122651 /nfs/dbraw/zinc/12/26/51/859122651.db2.gz HKTDAZUJJIGWAB-IKGGRYGDSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734065 859122657 /nfs/dbraw/zinc/12/26/57/859122657.db2.gz HKTDAZUJJIGWAB-IKGGRYGDSA-N 2 1 375.582 3.978 20 0 GHADMP C[C@@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738145 859123342 /nfs/dbraw/zinc/12/33/42/859123342.db2.gz WGXDEZLZLDBSLE-TZIWHRDSSA-N 2 1 396.583 3.753 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483146569 859180492 /nfs/dbraw/zinc/18/04/92/859180492.db2.gz RBJHMUZLZKCADA-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483146569 859180506 /nfs/dbraw/zinc/18/05/06/859180506.db2.gz RBJHMUZLZKCADA-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483146569 859180516 /nfs/dbraw/zinc/18/05/16/859180516.db2.gz RBJHMUZLZKCADA-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000191512223 859232936 /nfs/dbraw/zinc/23/29/36/859232936.db2.gz HDEFILKVRFBYMP-INIZCTEOSA-N 2 1 376.932 3.516 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000191512223 859232949 /nfs/dbraw/zinc/23/29/49/859232949.db2.gz HDEFILKVRFBYMP-INIZCTEOSA-N 2 1 376.932 3.516 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000466720221 859289965 /nfs/dbraw/zinc/28/99/65/859289965.db2.gz ZWEQEOBCIJNGNH-UHFFFAOYSA-N 2 1 389.584 3.745 20 0 GHADMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1csc(Cc3ccc(Cl)cc3)n1)CC2 ZINC000923453072 859330498 /nfs/dbraw/zinc/33/04/98/859330498.db2.gz ZLMNKNOXDCSMTH-GOSISDBHSA-N 2 1 391.968 3.717 20 0 GHADMP COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1 ZINC000923482994 859361273 /nfs/dbraw/zinc/36/12/73/859361273.db2.gz KTFHTGDIUQZXPF-GFCCVEGCSA-N 2 1 396.354 3.752 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000765980046 859384067 /nfs/dbraw/zinc/38/40/67/859384067.db2.gz YYRZFHLXSCDESN-PKOBYXMFSA-N 2 1 384.442 3.806 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000568237138 859386934 /nfs/dbraw/zinc/38/69/34/859386934.db2.gz MXASUFCKFUIMCX-RBUKOAKNSA-N 2 1 375.900 3.713 20 0 GHADMP O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000282547293 859396308 /nfs/dbraw/zinc/39/63/08/859396308.db2.gz WVMYHSQPDBQCLW-HSZRJFAPSA-N 2 1 392.547 3.590 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(F)c1 ZINC000856558133 881421964 /nfs/dbraw/zinc/42/19/64/881421964.db2.gz FMOVFBPFTHQMAG-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(F)c1 ZINC000856558133 881422035 /nfs/dbraw/zinc/42/20/35/881422035.db2.gz FMOVFBPFTHQMAG-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(F)c1 ZINC000856558133 881422256 /nfs/dbraw/zinc/42/22/56/881422256.db2.gz FMOVFBPFTHQMAG-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(F)c1 ZINC000856558133 881422405 /nfs/dbraw/zinc/42/24/05/881422405.db2.gz FMOVFBPFTHQMAG-OAQYLSRUSA-N 2 1 387.499 3.723 20 0 GHADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000764467313 859458831 /nfs/dbraw/zinc/45/88/31/859458831.db2.gz VERYZIFXTMHMFC-VQTJNVASSA-N 2 1 385.577 3.712 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000114454268 859612760 /nfs/dbraw/zinc/61/27/60/859612760.db2.gz LIHSIYFSKSVAFL-UHFFFAOYSA-N 2 1 397.485 3.659 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000114454268 859612765 /nfs/dbraw/zinc/61/27/65/859612765.db2.gz LIHSIYFSKSVAFL-UHFFFAOYSA-N 2 1 397.485 3.659 20 0 GHADMP CCC[N@H+](CCCCCn1cccn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477367 859626452 /nfs/dbraw/zinc/62/64/52/859626452.db2.gz NZWXEZURKLIUDD-UHFFFAOYSA-N 2 1 384.572 3.841 20 0 GHADMP CCC[N@@H+](CCCCCn1cccn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477367 859626457 /nfs/dbraw/zinc/62/64/57/859626457.db2.gz NZWXEZURKLIUDD-UHFFFAOYSA-N 2 1 384.572 3.841 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000765011882 859727007 /nfs/dbraw/zinc/72/70/07/859727007.db2.gz USDAXUHWZBJSFR-DEOSSOPVSA-N 2 1 393.575 4.000 20 0 GHADMP C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000474278265 859751289 /nfs/dbraw/zinc/75/12/89/859751289.db2.gz SQGPBLNKQMEYAS-IBGZPJMESA-N 2 1 395.938 3.875 20 0 GHADMP C[NH+](Cc1ccc(Cl)cc1-n1cncn1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474278265 859751297 /nfs/dbraw/zinc/75/12/97/859751297.db2.gz SQGPBLNKQMEYAS-IBGZPJMESA-N 2 1 395.938 3.875 20 0 GHADMP C[NH+](Cc1ccc(Cl)cc1-n1cncn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474278265 859751308 /nfs/dbraw/zinc/75/13/08/859751308.db2.gz SQGPBLNKQMEYAS-IBGZPJMESA-N 2 1 395.938 3.875 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000543449301 859752630 /nfs/dbraw/zinc/75/26/30/859752630.db2.gz DNZFQYGIUPBVKK-IBGZPJMESA-N 2 1 382.976 3.832 20 0 GHADMP Fc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OCC1CCOCC1 ZINC001168368609 859784786 /nfs/dbraw/zinc/78/47/86/859784786.db2.gz MPCIVXLSFQZPCQ-UHFFFAOYSA-N 2 1 376.516 3.595 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1OC ZINC000856562222 881470625 /nfs/dbraw/zinc/47/06/25/881470625.db2.gz WMHFIXAMRUDRNL-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1OC ZINC000856562222 881470849 /nfs/dbraw/zinc/47/08/49/881470849.db2.gz WMHFIXAMRUDRNL-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1OC ZINC000856562222 881470860 /nfs/dbraw/zinc/47/08/60/881470860.db2.gz WMHFIXAMRUDRNL-NRFANRHFSA-N 2 1 399.535 3.592 20 0 GHADMP Cc1cc(C2CC[NH+](CCCCC[NH+]3CCC(c4cc(C)[nH]n4)CC3)CC2)[nH]n1 ZINC000273056108 859869344 /nfs/dbraw/zinc/86/93/44/859869344.db2.gz ZHDHGDXFDDKVPL-UHFFFAOYSA-N 2 1 398.599 3.979 20 0 GHADMP Cc1cc(C2CC[NH+](CCCCC[NH+]3CCC(c4cc(C)[nH]n4)CC3)CC2)n[nH]1 ZINC000273056108 859869356 /nfs/dbraw/zinc/86/93/56/859869356.db2.gz ZHDHGDXFDDKVPL-UHFFFAOYSA-N 2 1 398.599 3.979 20 0 GHADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)C2)[C@H]1C(C)C ZINC000922391525 859890866 /nfs/dbraw/zinc/89/08/66/859890866.db2.gz FFMXSFXLODOYRB-SOAMZJECSA-N 2 1 391.606 3.831 20 0 GHADMP CCc1cccc(Cl)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000474347655 859893121 /nfs/dbraw/zinc/89/31/21/859893121.db2.gz HCIPJNAPLGIAEV-FQEVSTJZSA-N 2 1 399.966 3.890 20 0 GHADMP CC(C)[C@H](C)[N@H+]1Cc2ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc2C1 ZINC000727086644 859920171 /nfs/dbraw/zinc/92/01/71/859920171.db2.gz ORUGQKNGFCROOV-INIZCTEOSA-N 2 1 376.614 3.921 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369583 859931891 /nfs/dbraw/zinc/93/18/91/859931891.db2.gz HPMUDDAAKNNWEO-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000765432469 859968130 /nfs/dbraw/zinc/96/81/30/859968130.db2.gz VABBCYHIYPEJOZ-XGHQBKJUSA-N 2 1 393.597 3.752 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH2+][C@@H](C)c1ccccc1 ZINC000074211668 881497059 /nfs/dbraw/zinc/49/70/59/881497059.db2.gz PGNTXWXJKDXRMY-TYPHKJRUSA-N 2 1 386.584 3.774 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(N3C[C@H](CC[NH3+])c4ccccc43)c2c1C ZINC001168544741 860194962 /nfs/dbraw/zinc/19/49/62/860194962.db2.gz RFTHMZHAQMIJNP-HNNXBMFYSA-N 2 1 381.549 3.954 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474501393 860236172 /nfs/dbraw/zinc/23/61/72/860236172.db2.gz VIZUKSIZCRFZSW-KNKQGSTJSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474501393 860236183 /nfs/dbraw/zinc/23/61/83/860236183.db2.gz VIZUKSIZCRFZSW-KNKQGSTJSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000533818690 860238939 /nfs/dbraw/zinc/23/89/39/860238939.db2.gz GSXUBLILXBKLLU-JZWVFAODSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000533818690 860238949 /nfs/dbraw/zinc/23/89/49/860238949.db2.gz GSXUBLILXBKLLU-JZWVFAODSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000533818690 860238963 /nfs/dbraw/zinc/23/89/63/860238963.db2.gz GSXUBLILXBKLLU-JZWVFAODSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000533818690 860238973 /nfs/dbraw/zinc/23/89/73/860238973.db2.gz GSXUBLILXBKLLU-JZWVFAODSA-N 2 1 392.547 3.525 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534530380 860246942 /nfs/dbraw/zinc/24/69/42/860246942.db2.gz CGPAUQUXDHBOGQ-JOCHJYFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534530380 860246958 /nfs/dbraw/zinc/24/69/58/860246958.db2.gz CGPAUQUXDHBOGQ-JOCHJYFZSA-N 2 1 380.536 3.514 20 0 GHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000522448249 860309561 /nfs/dbraw/zinc/30/95/61/860309561.db2.gz VOSXHEWFGOBLLV-QFIPXVFZSA-N 2 1 386.584 3.546 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@H](C)C1 ZINC000765608117 860323981 /nfs/dbraw/zinc/32/39/81/860323981.db2.gz USOHQSAHGMDYMF-XLIONFOSSA-N 2 1 375.557 3.574 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000765646158 860377142 /nfs/dbraw/zinc/37/71/42/860377142.db2.gz UAUDLEICMQSFQH-UYAOXDASSA-N 2 1 375.557 3.744 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000765646158 860377146 /nfs/dbraw/zinc/37/71/46/860377146.db2.gz UAUDLEICMQSFQH-UYAOXDASSA-N 2 1 375.557 3.744 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000904503850 860479167 /nfs/dbraw/zinc/47/91/67/860479167.db2.gz LSQWEJRZKBRXSK-RZUBCFFCSA-N 2 1 378.520 3.568 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428968723 860546129 /nfs/dbraw/zinc/54/61/29/860546129.db2.gz PGVFKWDQKXXSMZ-IRLDBZIGSA-N 2 1 388.600 3.848 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(Cc2cccnc2)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000765749425 860565986 /nfs/dbraw/zinc/56/59/86/860565986.db2.gz MWLFQBUGVLXVHZ-QUCCMNQESA-N 2 1 390.572 3.529 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000484998406 860579201 /nfs/dbraw/zinc/57/92/01/860579201.db2.gz XGCWWCNAQMEXNE-MJGOQNOKSA-N 2 1 376.504 3.717 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000509029695 860615342 /nfs/dbraw/zinc/61/53/42/860615342.db2.gz GORUMZCRZGNBNS-FFZOFVMBSA-N 2 1 394.991 3.847 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000509029695 860615348 /nfs/dbraw/zinc/61/53/48/860615348.db2.gz GORUMZCRZGNBNS-FFZOFVMBSA-N 2 1 394.991 3.847 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000509029695 860615354 /nfs/dbraw/zinc/61/53/54/860615354.db2.gz GORUMZCRZGNBNS-FFZOFVMBSA-N 2 1 394.991 3.847 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC000474690378 860642830 /nfs/dbraw/zinc/64/28/30/860642830.db2.gz JNNJGUOXFCSWLU-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000474690378 860642837 /nfs/dbraw/zinc/64/28/37/860642837.db2.gz JNNJGUOXFCSWLU-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000474690378 860642842 /nfs/dbraw/zinc/64/28/42/860642842.db2.gz JNNJGUOXFCSWLU-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474690378 860642848 /nfs/dbraw/zinc/64/28/48/860642848.db2.gz JNNJGUOXFCSWLU-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474690378 860642855 /nfs/dbraw/zinc/64/28/55/860642855.db2.gz JNNJGUOXFCSWLU-JOCHJYFZSA-N 2 1 389.559 3.761 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)C[C@H]1c1ccccc1 ZINC000453345229 860653545 /nfs/dbraw/zinc/65/35/45/860653545.db2.gz FERUPXMCILASGC-WIYBCGNWSA-N 2 1 382.552 3.805 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)C[C@H]1c1ccccc1 ZINC000453345229 860653553 /nfs/dbraw/zinc/65/35/53/860653553.db2.gz FERUPXMCILASGC-WIYBCGNWSA-N 2 1 382.552 3.805 20 0 GHADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603902 881578438 /nfs/dbraw/zinc/57/84/38/881578438.db2.gz GYCZEKDIPDVGDB-RPWUZVMVSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856603902 881578449 /nfs/dbraw/zinc/57/84/49/881578449.db2.gz GYCZEKDIPDVGDB-RPWUZVMVSA-N 2 1 397.563 3.633 20 0 GHADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603902 881578465 /nfs/dbraw/zinc/57/84/65/881578465.db2.gz GYCZEKDIPDVGDB-RPWUZVMVSA-N 2 1 397.563 3.633 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474776295 860777959 /nfs/dbraw/zinc/77/79/59/860777959.db2.gz WCYLOESJJIMZOK-QHCPKHFHSA-N 2 1 395.522 3.702 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474776295 860777963 /nfs/dbraw/zinc/77/79/63/860777963.db2.gz WCYLOESJJIMZOK-QHCPKHFHSA-N 2 1 395.522 3.702 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000557032417 881584862 /nfs/dbraw/zinc/58/48/62/881584862.db2.gz OCZIXONWECGZPC-UHFFFAOYSA-N 2 1 399.966 3.931 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CO)CC2)C1 ZINC000532232690 881585314 /nfs/dbraw/zinc/58/53/14/881585314.db2.gz YCMLPXGOMGEUCL-BESOESOGSA-N 2 1 399.623 3.502 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CN(Cc4ccccc4)CC[C@H]3CO)CC2)C1 ZINC000532232690 881585323 /nfs/dbraw/zinc/58/53/23/881585323.db2.gz YCMLPXGOMGEUCL-BESOESOGSA-N 2 1 399.623 3.502 20 0 GHADMP CCC(CC)(CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000603611700 860905291 /nfs/dbraw/zinc/90/52/91/860905291.db2.gz JQHXJLKADYSIER-NQIIRXRSSA-N 2 1 386.584 3.680 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000157079660 860930727 /nfs/dbraw/zinc/93/07/27/860930727.db2.gz IFAYCRSUXMKGKZ-FUHWJXTLSA-N 2 1 389.506 3.516 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000157079660 860930743 /nfs/dbraw/zinc/93/07/43/860930743.db2.gz IFAYCRSUXMKGKZ-FUHWJXTLSA-N 2 1 389.506 3.516 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623371444 860957538 /nfs/dbraw/zinc/95/75/38/860957538.db2.gz DBPVVGLJOOVPIM-WBVHZDCISA-N 2 1 380.374 3.738 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000600136689 861098320 /nfs/dbraw/zinc/09/83/20/861098320.db2.gz WMWJXSGMVUWPKL-UHFFFAOYSA-N 2 1 381.520 3.780 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)o1 ZINC000600145079 861120382 /nfs/dbraw/zinc/12/03/82/861120382.db2.gz MXUDLWKQBXMXAN-KRWDZBQOSA-N 2 1 385.508 3.767 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000482449318 863148499 /nfs/dbraw/zinc/14/84/99/863148499.db2.gz HKEOWTAKBYDWSJ-HTAPYJJXSA-N 2 1 384.495 3.735 20 0 GHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCO2 ZINC000182269027 863170083 /nfs/dbraw/zinc/17/00/83/863170083.db2.gz YAHADEGRSFLVOB-GMAHTHKFSA-N 2 1 380.532 3.874 20 0 GHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000532269940 881641503 /nfs/dbraw/zinc/64/15/03/881641503.db2.gz IJQKNKRTLKBKFG-MOPGFXCFSA-N 2 1 397.346 3.737 20 0 GHADMP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482560206 863313345 /nfs/dbraw/zinc/31/33/45/863313345.db2.gz XJDSPWICEIWBEW-IEBWSBKVSA-N 2 1 399.501 3.970 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000624255022 863325484 /nfs/dbraw/zinc/32/54/84/863325484.db2.gz CFKOWGVSXDGAQR-BXXSPATCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624255022 863325494 /nfs/dbraw/zinc/32/54/94/863325494.db2.gz CFKOWGVSXDGAQR-BXXSPATCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000624255022 863325503 /nfs/dbraw/zinc/32/55/03/863325503.db2.gz CFKOWGVSXDGAQR-BXXSPATCSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482592846 863356898 /nfs/dbraw/zinc/35/68/98/863356898.db2.gz SLRYXIGYXHUHJJ-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183151741 863488892 /nfs/dbraw/zinc/48/88/92/863488892.db2.gz GMXWNCXPQKZQLF-HZPDHXFCSA-N 2 1 378.476 3.867 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156494 863490247 /nfs/dbraw/zinc/49/02/47/863490247.db2.gz MTZLNGICSYBDIX-IRXDYDNUSA-N 2 1 392.503 3.717 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2F)cc1 ZINC000183156687 863491918 /nfs/dbraw/zinc/49/19/18/863491918.db2.gz RXWGUUNWCRRDCE-HRAATJIYSA-N 2 1 383.467 3.548 20 0 GHADMP Fc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Oc1cccnc1 ZINC000655700520 863616832 /nfs/dbraw/zinc/61/68/32/863616832.db2.gz LRUAMURSCOVODA-FQEVSTJZSA-N 2 1 385.483 3.746 20 0 GHADMP CCN(CCC[NH+](C)C)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667607628 863896720 /nfs/dbraw/zinc/89/67/20/863896720.db2.gz LGRXXQZBGGFZOK-UHFFFAOYSA-N 2 1 389.569 3.696 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000667602913 863914103 /nfs/dbraw/zinc/91/41/03/863914103.db2.gz RFWVYYIFSZKOPO-NRFANRHFSA-N 2 1 384.593 3.720 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000667602913 863914105 /nfs/dbraw/zinc/91/41/05/863914105.db2.gz RFWVYYIFSZKOPO-NRFANRHFSA-N 2 1 384.593 3.720 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000480085147 864004836 /nfs/dbraw/zinc/00/48/36/864004836.db2.gz SRWHPSJIOWTLPX-GMAHTHKFSA-N 2 1 385.596 3.522 20 0 GHADMP COc1cc2c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc[nH+]c2cc1F ZINC000480108352 864047064 /nfs/dbraw/zinc/04/70/64/864047064.db2.gz JOTKFGSRPUERGT-QGZVFWFLSA-N 2 1 381.451 3.561 20 0 GHADMP Cc1ccnc(N(C2CC[NH2+]CC2)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168056353 864157690 /nfs/dbraw/zinc/15/76/90/864157690.db2.gz FSONFDLYLKNUKQ-JHDGKUDLSA-N 2 1 393.579 3.785 20 0 GHADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000480245148 864310594 /nfs/dbraw/zinc/31/05/94/864310594.db2.gz WKEOYHYIOOBUEM-MAUKXSAKSA-N 2 1 385.474 3.595 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC3(CN(c4ccccc4)C3=O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058128 864443133 /nfs/dbraw/zinc/44/31/33/864443133.db2.gz BCUHNJZRFTUJFQ-JHDGKUDLSA-N 2 1 389.543 3.777 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC3(CN(c4ccccc4)C3=O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058128 864443144 /nfs/dbraw/zinc/44/31/44/864443144.db2.gz BCUHNJZRFTUJFQ-JHDGKUDLSA-N 2 1 389.543 3.777 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3nc(C)sc32)c1 ZINC000163643490 864547544 /nfs/dbraw/zinc/54/75/44/864547544.db2.gz IATGLYGAQCTBJJ-LJQANCHMSA-N 2 1 389.565 3.576 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NCc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163966688 864582125 /nfs/dbraw/zinc/58/21/25/864582125.db2.gz QPTIMKKQSISPSJ-NTKDMRAZSA-N 2 1 398.595 3.775 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)[C@H](C)C1 ZINC000163966688 864582137 /nfs/dbraw/zinc/58/21/37/864582137.db2.gz QPTIMKKQSISPSJ-NTKDMRAZSA-N 2 1 398.595 3.775 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000554586473 864583747 /nfs/dbraw/zinc/58/37/47/864583747.db2.gz ISYWXVJBGHRAER-FQEVSTJZSA-N 2 1 394.991 3.754 20 0 GHADMP CCOc1c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)nn1CC(C)C ZINC000475222646 864598145 /nfs/dbraw/zinc/59/81/45/864598145.db2.gz CKQABBWMXBFMPJ-OAQYLSRUSA-N 2 1 384.568 3.858 20 0 GHADMP CCOc1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)nn1CC(C)C ZINC000475222646 864598157 /nfs/dbraw/zinc/59/81/57/864598157.db2.gz CKQABBWMXBFMPJ-OAQYLSRUSA-N 2 1 384.568 3.858 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000182564190 864631495 /nfs/dbraw/zinc/63/14/95/864631495.db2.gz OMAMSWFGOAGPOQ-QWFCFKBJSA-N 2 1 390.572 3.615 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(OC)c1OC ZINC000165305956 864662190 /nfs/dbraw/zinc/66/21/90/864662190.db2.gz CCEDLMBVIZCGOB-UYAOXDASSA-N 2 1 398.547 3.928 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000184552379 864680664 /nfs/dbraw/zinc/68/06/64/864680664.db2.gz QIUNEHLOMSQJSU-SFTDATJTSA-N 2 1 387.568 3.729 20 0 GHADMP CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475277908 864683540 /nfs/dbraw/zinc/68/35/40/864683540.db2.gz ZJFXBQNCSSQNJY-QHCPKHFHSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000166682080 864748580 /nfs/dbraw/zinc/74/85/80/864748580.db2.gz HQDLJYLSIPDKIV-KBPBESRZSA-N 2 1 388.313 3.879 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000607897567 864852224 /nfs/dbraw/zinc/85/22/24/864852224.db2.gz CCLQMZZTAFVWQC-IAGOWNOFSA-N 2 1 399.501 3.683 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000480577487 864901321 /nfs/dbraw/zinc/90/13/21/864901321.db2.gz FWGMRDDQFWBDOT-RDPSFJRHSA-N 2 1 381.564 3.690 20 0 GHADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182651536 864921397 /nfs/dbraw/zinc/92/13/97/864921397.db2.gz GFKCMMIRHDUFEK-UXHICEINSA-N 2 1 378.605 3.595 20 0 GHADMP CC(C)Cc1ccc([C@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000622325238 864924386 /nfs/dbraw/zinc/92/43/86/864924386.db2.gz RZQYCPVQHDNUOP-SFHVURJKSA-N 2 1 380.536 3.774 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000608166779 865040786 /nfs/dbraw/zinc/04/07/86/865040786.db2.gz ROEXAPVTYUDJCS-QHCPKHFHSA-N 2 1 377.532 3.629 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C(C)C)cc1Cl ZINC000429539823 881834546 /nfs/dbraw/zinc/83/45/46/881834546.db2.gz VWSHEEHODIDNKY-ZWKOTPCHSA-N 2 1 382.976 3.928 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C(C)C)cc1Cl ZINC000429539823 881834565 /nfs/dbraw/zinc/83/45/65/881834565.db2.gz VWSHEEHODIDNKY-ZWKOTPCHSA-N 2 1 382.976 3.928 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Nc3cccc(C[NH3+])c3)cc2)C1 ZINC000667730979 865124877 /nfs/dbraw/zinc/12/48/77/865124877.db2.gz INYCNQGFYYJXAA-HDICACEKSA-N 2 1 380.536 3.945 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000480770054 865229265 /nfs/dbraw/zinc/22/92/65/865229265.db2.gz RDDCNHASQQDIGP-KRWDZBQOSA-N 2 1 377.529 3.885 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000480778556 865251880 /nfs/dbraw/zinc/25/18/80/865251880.db2.gz IKIKHXOVVAAURS-GCJKJVERSA-N 2 1 385.527 3.864 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000480773377 865272038 /nfs/dbraw/zinc/27/20/38/865272038.db2.gz XAKZGUXPUUIPIX-UNMCSNQZSA-N 2 1 387.637 3.848 20 0 GHADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OCc1cccnc1 ZINC000480904560 865469569 /nfs/dbraw/zinc/46/95/69/865469569.db2.gz AZVBYQVROXDHSJ-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000172081528 865483339 /nfs/dbraw/zinc/48/33/39/865483339.db2.gz PCGCPDWWSIKTAU-CVDCTZTESA-N 2 1 379.548 3.838 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)cc2)C1 ZINC000172081528 865483344 /nfs/dbraw/zinc/48/33/44/865483344.db2.gz PCGCPDWWSIKTAU-CVDCTZTESA-N 2 1 379.548 3.838 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301790558 865537206 /nfs/dbraw/zinc/53/72/06/865537206.db2.gz NGDAWTUQDCZQBO-KRWDZBQOSA-N 2 1 392.469 3.860 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301790558 865537214 /nfs/dbraw/zinc/53/72/14/865537214.db2.gz NGDAWTUQDCZQBO-KRWDZBQOSA-N 2 1 392.469 3.860 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000667816064 865813229 /nfs/dbraw/zinc/81/32/29/865813229.db2.gz VSLMQTXOLRLSDB-BAGYTPMASA-N 2 1 378.520 3.568 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000481177057 865929886 /nfs/dbraw/zinc/92/98/86/865929886.db2.gz YNKAMCDBFHNPFJ-HFRGRHLUSA-N 2 1 391.559 3.754 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000481177057 865929902 /nfs/dbraw/zinc/92/99/02/865929902.db2.gz YNKAMCDBFHNPFJ-HFRGRHLUSA-N 2 1 391.559 3.754 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1cccs1 ZINC000174804539 865943650 /nfs/dbraw/zinc/94/36/50/865943650.db2.gz PHYGMYUSXKPCLO-QAPCUYQASA-N 2 1 392.613 3.739 20 0 GHADMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184539 865947321 /nfs/dbraw/zinc/94/73/21/865947321.db2.gz CWWKMAIUPIRJEA-SFYKDHMMSA-N 2 1 397.538 3.673 20 0 GHADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184539 865947329 /nfs/dbraw/zinc/94/73/29/865947329.db2.gz CWWKMAIUPIRJEA-SFYKDHMMSA-N 2 1 397.538 3.673 20 0 GHADMP c1cn([C@@H]2CCC[N@H+](CCCCCC[NH+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000740877077 866061274 /nfs/dbraw/zinc/06/12/74/866061274.db2.gz XXXGAIRLXZRYGD-SZPZYZBQSA-N 2 1 384.572 3.614 20 0 GHADMP c1cn([C@@H]2CCC[NH+](CCCCCC[N@@H+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000740877077 866061286 /nfs/dbraw/zinc/06/12/86/866061286.db2.gz XXXGAIRLXZRYGD-SZPZYZBQSA-N 2 1 384.572 3.614 20 0 GHADMP c1cn([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000740877077 866061301 /nfs/dbraw/zinc/06/13/01/866061301.db2.gz XXXGAIRLXZRYGD-SZPZYZBQSA-N 2 1 384.572 3.614 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000478565506 866266814 /nfs/dbraw/zinc/26/68/14/866266814.db2.gz NJZRCNDYBSSBFP-VNWBIDQUSA-N 2 1 395.950 3.849 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000478565506 866266832 /nfs/dbraw/zinc/26/68/32/866266832.db2.gz NJZRCNDYBSSBFP-VNWBIDQUSA-N 2 1 395.950 3.849 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000478565506 866266846 /nfs/dbraw/zinc/26/68/46/866266846.db2.gz NJZRCNDYBSSBFP-VNWBIDQUSA-N 2 1 395.950 3.849 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534207746 866274579 /nfs/dbraw/zinc/27/45/79/866274579.db2.gz ZOFPHMSEYQDSHX-LPHOPBHVSA-N 2 1 398.954 3.503 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534207746 866274591 /nfs/dbraw/zinc/27/45/91/866274591.db2.gz ZOFPHMSEYQDSHX-LPHOPBHVSA-N 2 1 398.954 3.503 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534207746 866274607 /nfs/dbraw/zinc/27/46/07/866274607.db2.gz ZOFPHMSEYQDSHX-LPHOPBHVSA-N 2 1 398.954 3.503 20 0 GHADMP C[N@H+](Cc1cccc(Br)c1OC(F)F)CC1CC[NH+](C)CC1 ZINC000153464165 866494299 /nfs/dbraw/zinc/49/42/99/866494299.db2.gz UPTONKATVLBXDM-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000152337468 866531104 /nfs/dbraw/zinc/53/11/04/866531104.db2.gz PAURRHFQDGHYLR-YTQUADARSA-N 2 1 399.501 3.791 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553125614 866843619 /nfs/dbraw/zinc/84/36/19/866843619.db2.gz SIXJBJCPDUFVRS-QFIPXVFZSA-N 2 1 383.561 3.548 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000444598004 866921285 /nfs/dbraw/zinc/92/12/85/866921285.db2.gz NYNJPTBYEMJPIY-OXJNMPFZSA-N 2 1 385.556 3.907 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479059509 867076341 /nfs/dbraw/zinc/07/63/41/867076341.db2.gz LTMCHRHJJPDEMN-IBGZPJMESA-N 2 1 394.401 3.789 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000429784518 867331546 /nfs/dbraw/zinc/33/15/46/867331546.db2.gz NUBMDMOCGQNRNE-KNKQGSTJSA-N 2 1 379.548 3.818 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000429784518 867331558 /nfs/dbraw/zinc/33/15/58/867331558.db2.gz NUBMDMOCGQNRNE-KNKQGSTJSA-N 2 1 379.548 3.818 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)[C@H](C)C1 ZINC000429784518 867331568 /nfs/dbraw/zinc/33/15/68/867331568.db2.gz NUBMDMOCGQNRNE-KNKQGSTJSA-N 2 1 379.548 3.818 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154397984 867390247 /nfs/dbraw/zinc/39/02/47/867390247.db2.gz WRTVJQRXJRUNHU-SFHVURJKSA-N 2 1 386.609 3.721 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000183710203 867428875 /nfs/dbraw/zinc/42/88/75/867428875.db2.gz UNITXDYSTHHRRU-APWZRJJASA-N 2 1 399.539 3.843 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000479276673 867464292 /nfs/dbraw/zinc/46/42/92/867464292.db2.gz CHTKKBKDZFUJFG-INIZCTEOSA-N 2 1 381.358 3.615 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000620798188 867506680 /nfs/dbraw/zinc/50/66/80/867506680.db2.gz YNSDRZGVGITLOF-HXUWFJFHSA-N 2 1 383.536 3.763 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cc(Br)ccc21 ZINC000479358623 867604527 /nfs/dbraw/zinc/60/45/27/867604527.db2.gz JPDVSLLQDKKZOW-SFHVURJKSA-N 2 1 381.358 3.608 20 0 GHADMP C[N@@H+](CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000523597965 867626221 /nfs/dbraw/zinc/62/62/21/867626221.db2.gz ZMSBNMMNDIZOEI-UHFFFAOYSA-N 2 1 392.613 3.524 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000553598959 867719558 /nfs/dbraw/zinc/71/95/58/867719558.db2.gz AQJCRWNTTRPSID-LJQANCHMSA-N 2 1 380.964 3.506 20 0 GHADMP Cc1cc2[nH]c(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2c(C)c1 ZINC000479440632 867759252 /nfs/dbraw/zinc/75/92/52/867759252.db2.gz WYQLDZGEMWFHJT-OFNKIYASSA-N 2 1 377.532 3.757 20 0 GHADMP Cc1cc2[nH]c(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2c(C)c1 ZINC000479440632 867759263 /nfs/dbraw/zinc/75/92/63/867759263.db2.gz WYQLDZGEMWFHJT-OFNKIYASSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000155598382 867968456 /nfs/dbraw/zinc/96/84/56/867968456.db2.gz HQFZDDQTMOYJKR-FXAWDEMLSA-N 2 1 395.950 3.709 20 0 GHADMP COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3nc4ccccc4o3)CC2)c1C ZINC000171693153 882151683 /nfs/dbraw/zinc/15/16/83/882151683.db2.gz SOMNTDLREMHXSG-UHFFFAOYSA-N 2 1 394.519 3.945 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3nc4ccccc4o3)CC2)c1C ZINC000171693153 882151695 /nfs/dbraw/zinc/15/16/95/882151695.db2.gz SOMNTDLREMHXSG-UHFFFAOYSA-N 2 1 394.519 3.945 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000457664313 868599082 /nfs/dbraw/zinc/59/90/82/868599082.db2.gz UQNFHVOEQQVIGD-RDPSFJRHSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000457664313 868599092 /nfs/dbraw/zinc/59/90/92/868599092.db2.gz UQNFHVOEQQVIGD-RDPSFJRHSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000457664313 868599095 /nfs/dbraw/zinc/59/90/95/868599095.db2.gz UQNFHVOEQQVIGD-RDPSFJRHSA-N 2 1 398.595 3.546 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@@H](C)C2)CC1 ZINC000157296770 868617132 /nfs/dbraw/zinc/61/71/32/868617132.db2.gz LAJPPZBZXSRNCY-JXFKEZNVSA-N 2 1 397.966 3.703 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000524156109 868624626 /nfs/dbraw/zinc/62/46/26/868624626.db2.gz JHAMOLVKLVLYPJ-UHFFFAOYSA-N 2 1 399.501 3.630 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000524156109 868624634 /nfs/dbraw/zinc/62/46/34/868624634.db2.gz JHAMOLVKLVLYPJ-UHFFFAOYSA-N 2 1 399.501 3.630 20 0 GHADMP O=C(C[N@H+]1CCCC12CCCCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000535443693 868747736 /nfs/dbraw/zinc/74/77/36/868747736.db2.gz UKJHMNWGYRVKIB-UHFFFAOYSA-N 2 1 387.593 3.973 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554157969 868860847 /nfs/dbraw/zinc/86/08/47/868860847.db2.gz QHPPEBCJAJVSRD-BAGYTPMASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554157970 868860924 /nfs/dbraw/zinc/86/09/24/868860924.db2.gz QHPPEBCJAJVSRD-CEMLEFRQSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c2cccs2)cc1 ZINC000524371366 868997506 /nfs/dbraw/zinc/99/75/06/868997506.db2.gz DKHCZCOITXGRJE-JOCHJYFZSA-N 2 1 385.577 3.536 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000190764943 882263236 /nfs/dbraw/zinc/26/32/36/882263236.db2.gz MENKOTFKSGPEIP-HXUWFJFHSA-N 2 1 396.579 3.686 20 0 GHADMP CCC[N@H+](Cc1cccc(NC(C)=O)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477047 869208328 /nfs/dbraw/zinc/20/83/28/869208328.db2.gz JLXZGWDFHWZORZ-UHFFFAOYSA-N 2 1 395.551 3.933 20 0 GHADMP CCC[N@@H+](Cc1cccc(NC(C)=O)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477047 869208336 /nfs/dbraw/zinc/20/83/36/869208336.db2.gz JLXZGWDFHWZORZ-UHFFFAOYSA-N 2 1 395.551 3.933 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)C ZINC000508852086 869255047 /nfs/dbraw/zinc/25/50/47/869255047.db2.gz ITLKWHWNCYBOCR-KNQAVFIVSA-N 2 1 386.584 3.646 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H]3CCc4cc(F)ccc4C3)CC[C@@H]21 ZINC001168432017 869714779 /nfs/dbraw/zinc/71/47/79/869714779.db2.gz PHCYROFMFVRQQN-KAMZKSLDSA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H]3CCc4cc(F)ccc4C3)CC[C@@H]21 ZINC001168432017 869714783 /nfs/dbraw/zinc/71/47/83/869714783.db2.gz PHCYROFMFVRQQN-KAMZKSLDSA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H]3CCc4cc(F)ccc4C3)CC[C@@H]21 ZINC001168432017 869714787 /nfs/dbraw/zinc/71/47/87/869714787.db2.gz PHCYROFMFVRQQN-KAMZKSLDSA-N 2 1 396.554 3.753 20 0 GHADMP Cc1csc(-c2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc2)n1 ZINC000665929436 869975304 /nfs/dbraw/zinc/97/53/04/869975304.db2.gz UWIFQUPXEKQKEN-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP Cc1csc(-c2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc2)n1 ZINC000665929436 869975310 /nfs/dbraw/zinc/97/53/10/869975310.db2.gz UWIFQUPXEKQKEN-HNNXBMFYSA-N 2 1 389.569 3.512 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446589154 870069358 /nfs/dbraw/zinc/06/93/58/870069358.db2.gz HDBBEOCGFMBFSI-LJQANCHMSA-N 2 1 380.536 3.529 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446589154 870069372 /nfs/dbraw/zinc/06/93/72/870069372.db2.gz HDBBEOCGFMBFSI-LJQANCHMSA-N 2 1 380.536 3.529 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000462790320 870088010 /nfs/dbraw/zinc/08/80/10/870088010.db2.gz UNGHAKHQXZWODL-UHFFFAOYSA-N 2 1 396.531 3.764 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1)CC1CC1 ZINC000540049188 870262873 /nfs/dbraw/zinc/26/28/73/870262873.db2.gz HEXTWUQIUYDXSD-SFHVURJKSA-N 2 1 389.588 3.625 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1)CC1CC1 ZINC000540049188 870262882 /nfs/dbraw/zinc/26/28/82/870262882.db2.gz HEXTWUQIUYDXSD-SFHVURJKSA-N 2 1 389.588 3.625 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000248067928 870278479 /nfs/dbraw/zinc/27/84/79/870278479.db2.gz ZZDHUBMEHULRLU-AZUAARDMSA-N 2 1 390.572 3.568 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000248067928 870278495 /nfs/dbraw/zinc/27/84/95/870278495.db2.gz ZZDHUBMEHULRLU-AZUAARDMSA-N 2 1 390.572 3.568 20 0 GHADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540043691 870291535 /nfs/dbraw/zinc/29/15/35/870291535.db2.gz DQJMHJZNKMSSEX-DENIHFKCSA-N 2 1 386.584 3.657 20 0 GHADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248151215 870302189 /nfs/dbraw/zinc/30/21/89/870302189.db2.gz QUXBVKXTTORFMS-PGRDOPGGSA-N 2 1 397.538 3.634 20 0 GHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000446756395 870303577 /nfs/dbraw/zinc/30/35/77/870303577.db2.gz HWPTUGMSKNJNED-XMMPIXPASA-N 2 1 382.548 3.850 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000538720098 870415531 /nfs/dbraw/zinc/41/55/31/870415531.db2.gz GOIZVTBTJGQLPY-QGZVFWFLSA-N 2 1 386.492 3.678 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000538720098 870415533 /nfs/dbraw/zinc/41/55/33/870415533.db2.gz GOIZVTBTJGQLPY-QGZVFWFLSA-N 2 1 386.492 3.678 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1)c1ccccc1 ZINC001192515711 870449337 /nfs/dbraw/zinc/44/93/37/870449337.db2.gz RFZDZDKUQHIUBV-WMZHIEFXSA-N 2 1 397.538 3.814 20 0 GHADMP CCC[N@@H+](Cc1cn(C)nc1C(F)F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000462942806 870472779 /nfs/dbraw/zinc/47/27/79/870472779.db2.gz LWGDNBSFQOBIQN-UHFFFAOYSA-N 2 1 392.498 3.646 20 0 GHADMP CCC[N@H+](Cc1cn(C)nc1C(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000462942806 870472783 /nfs/dbraw/zinc/47/27/83/870472783.db2.gz LWGDNBSFQOBIQN-UHFFFAOYSA-N 2 1 392.498 3.646 20 0 GHADMP CCC[N@@H+](Cc1cn(C)nc1C(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000462942806 870472790 /nfs/dbraw/zinc/47/27/90/870472790.db2.gz LWGDNBSFQOBIQN-UHFFFAOYSA-N 2 1 392.498 3.646 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000248525272 870473293 /nfs/dbraw/zinc/47/32/93/870473293.db2.gz UHGGTJMWXCUBGU-IOMROCGXSA-N 2 1 389.565 3.511 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248570799 870501098 /nfs/dbraw/zinc/50/10/98/870501098.db2.gz LYZQRUNYNJANJB-RYRKJORJSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248570799 870501103 /nfs/dbraw/zinc/50/11/03/870501103.db2.gz LYZQRUNYNJANJB-RYRKJORJSA-N 2 1 377.960 3.760 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000538750579 870562838 /nfs/dbraw/zinc/56/28/38/870562838.db2.gz KGKGOHKKTZNYBO-MRXNPFEDSA-N 2 1 386.492 3.536 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000538750579 870562875 /nfs/dbraw/zinc/56/28/75/870562875.db2.gz KGKGOHKKTZNYBO-MRXNPFEDSA-N 2 1 386.492 3.536 20 0 GHADMP O=C1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1c1ccccc1F ZINC000462972128 870574480 /nfs/dbraw/zinc/57/44/80/870574480.db2.gz YPTFRLOQSIQRMV-MXEMCNAFSA-N 2 1 393.506 3.716 20 0 GHADMP O=C1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1c1ccccc1F ZINC000462972128 870574488 /nfs/dbraw/zinc/57/44/88/870574488.db2.gz YPTFRLOQSIQRMV-MXEMCNAFSA-N 2 1 393.506 3.716 20 0 GHADMP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538762410 870601969 /nfs/dbraw/zinc/60/19/69/870601969.db2.gz OJWYRRIJULILEQ-BGYRXZFFSA-N 2 1 396.579 3.892 20 0 GHADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000540166772 870649089 /nfs/dbraw/zinc/64/90/89/870649089.db2.gz COQLYIRFBUCPKJ-CQSZACIVSA-N 2 1 387.387 3.630 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000248842749 870659945 /nfs/dbraw/zinc/65/99/45/870659945.db2.gz OJSYAAYWXHOVAL-BEFAXECRSA-N 2 1 381.358 3.848 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000248841185 870660259 /nfs/dbraw/zinc/66/02/59/870660259.db2.gz NWQFNJLMKJLLCO-BEFAXECRSA-N 2 1 381.358 3.848 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000540182808 870698877 /nfs/dbraw/zinc/69/88/77/870698877.db2.gz TYAFPGRZUVMBRC-VQIMIIECSA-N 2 1 397.485 3.573 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540182808 870698884 /nfs/dbraw/zinc/69/88/84/870698884.db2.gz TYAFPGRZUVMBRC-VQIMIIECSA-N 2 1 397.485 3.573 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000448474012 870762793 /nfs/dbraw/zinc/76/27/93/870762793.db2.gz UVRQWFRSMDHVHL-VXKWHMMOSA-N 2 1 392.632 3.508 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000249269632 870799691 /nfs/dbraw/zinc/79/96/91/870799691.db2.gz IWHVNRCDBNSPNZ-MOJGAOKDSA-N 2 1 379.548 3.635 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000249297029 870805736 /nfs/dbraw/zinc/80/57/36/870805736.db2.gz NDNUKWDONCPPLN-QLPKVWCKSA-N 2 1 376.438 3.650 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000249380280 870818109 /nfs/dbraw/zinc/81/81/09/870818109.db2.gz OYDXIGLAZCETIF-RTWAWAEBSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000249380280 870818114 /nfs/dbraw/zinc/81/81/14/870818114.db2.gz OYDXIGLAZCETIF-RTWAWAEBSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000249380280 870818124 /nfs/dbraw/zinc/81/81/24/870818124.db2.gz OYDXIGLAZCETIF-RTWAWAEBSA-N 2 1 383.580 3.548 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000249409325 870823925 /nfs/dbraw/zinc/82/39/25/870823925.db2.gz DXBAKJKBWOJOSO-WDYCEAGBSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000249409325 870823937 /nfs/dbraw/zinc/82/39/37/870823937.db2.gz DXBAKJKBWOJOSO-WDYCEAGBSA-N 2 1 395.975 3.702 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000463116571 870953193 /nfs/dbraw/zinc/95/31/93/870953193.db2.gz CVVBLFCPODRZQZ-WTIAFYNJSA-N 2 1 384.568 3.699 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC001193323689 871023175 /nfs/dbraw/zinc/02/31/75/871023175.db2.gz ILEHYTMPEBTBQQ-UHFFFAOYSA-N 2 1 383.378 3.760 20 0 GHADMP COCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461800288 871026228 /nfs/dbraw/zinc/02/62/28/871026228.db2.gz SKRFRTPBAUADLO-QFIPXVFZSA-N 2 1 399.604 3.548 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000538983459 871046682 /nfs/dbraw/zinc/04/66/82/871046682.db2.gz AJMBWYKVIFGLDI-UTKZUKDTSA-N 2 1 389.515 3.750 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@H]1CCCC[C@@H]1C ZINC001193413642 871096462 /nfs/dbraw/zinc/09/64/62/871096462.db2.gz PBBFDNGQVHMTKK-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCC[C@@H]1C ZINC001193413642 871096472 /nfs/dbraw/zinc/09/64/72/871096472.db2.gz PBBFDNGQVHMTKK-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCC[C@@H]1C ZINC001193413642 871096483 /nfs/dbraw/zinc/09/64/83/871096483.db2.gz PBBFDNGQVHMTKK-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463207784 871139539 /nfs/dbraw/zinc/13/95/39/871139539.db2.gz UPQTYYBKEUYDEK-CVDCTZTESA-N 2 1 397.538 3.805 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463207784 871139544 /nfs/dbraw/zinc/13/95/44/871139544.db2.gz UPQTYYBKEUYDEK-CVDCTZTESA-N 2 1 397.538 3.805 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc3ccccc3s2)[C@H](C)C1 ZINC000766575368 871159329 /nfs/dbraw/zinc/15/93/29/871159329.db2.gz KDOFPTWHQSYDTR-NZSAHSFTSA-N 2 1 376.566 3.661 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449122127 871210057 /nfs/dbraw/zinc/21/00/57/871210057.db2.gz KKCVSMOYNWJNOW-YLJYHZDGSA-N 2 1 377.960 3.508 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(Cc3ccc(Br)cc3)CC1)C2 ZINC001169111924 871239754 /nfs/dbraw/zinc/23/97/54/871239754.db2.gz QYDJLHLCWLFTSK-OWZKRDHZSA-N 2 1 392.385 3.628 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191497524 882492047 /nfs/dbraw/zinc/49/20/47/882492047.db2.gz OJSYAAYWXHOVAL-DNVCBOLYSA-N 2 1 381.358 3.848 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169250556 871349939 /nfs/dbraw/zinc/34/99/39/871349939.db2.gz QBDOJLARQSVBAN-RBUKOAKNSA-N 2 1 379.589 3.830 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169250556 871349953 /nfs/dbraw/zinc/34/99/53/871349953.db2.gz QBDOJLARQSVBAN-RBUKOAKNSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000539201090 871488877 /nfs/dbraw/zinc/48/88/77/871488877.db2.gz MIBFWPITMNJHTL-LAUBAEHRSA-N 2 1 399.966 3.758 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOc3ccc4c(c3)OCO4)C2)s1 ZINC001194152715 871513802 /nfs/dbraw/zinc/51/38/02/871513802.db2.gz GISJOVKTRWOJGT-KRWDZBQOSA-N 2 1 388.533 3.618 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOc3ccc4c(c3)OCO4)C2)s1 ZINC001194152715 871513814 /nfs/dbraw/zinc/51/38/14/871513814.db2.gz GISJOVKTRWOJGT-KRWDZBQOSA-N 2 1 388.533 3.618 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOc3ccc4c(c3)OCO4)C2)s1 ZINC001194152715 871513817 /nfs/dbraw/zinc/51/38/17/871513817.db2.gz GISJOVKTRWOJGT-KRWDZBQOSA-N 2 1 388.533 3.618 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001169470561 871546580 /nfs/dbraw/zinc/54/65/80/871546580.db2.gz DRIHFLVASSNJNY-FMWKFLBASA-N 2 1 391.625 3.927 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001169470561 871546593 /nfs/dbraw/zinc/54/65/93/871546593.db2.gz DRIHFLVASSNJNY-FMWKFLBASA-N 2 1 391.625 3.927 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001169470561 871546603 /nfs/dbraw/zinc/54/66/03/871546603.db2.gz DRIHFLVASSNJNY-FMWKFLBASA-N 2 1 391.625 3.927 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508782 871573597 /nfs/dbraw/zinc/57/35/97/871573597.db2.gz RMZGWSYHFMYRSB-JRFVFWCSSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508782 871573610 /nfs/dbraw/zinc/57/36/10/871573610.db2.gz RMZGWSYHFMYRSB-JRFVFWCSSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508782 871573629 /nfs/dbraw/zinc/57/36/29/871573629.db2.gz RMZGWSYHFMYRSB-JRFVFWCSSA-N 2 1 383.580 3.622 20 0 GHADMP CN(CC[N@@H+](C)[C@@H]1CCCc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000539237449 871574352 /nfs/dbraw/zinc/57/43/52/871574352.db2.gz KAYJGOHQQVMDFV-HXUWFJFHSA-N 2 1 394.401 3.784 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCCC1)c1ccccc1 ZINC000462080776 871585345 /nfs/dbraw/zinc/58/53/45/871585345.db2.gz OOQUGDBEFXKIQN-GOSISDBHSA-N 2 1 396.535 3.664 20 0 GHADMP [NH3+][C@@H]1CCc2c1cccc2N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169524870 871602517 /nfs/dbraw/zinc/60/25/17/871602517.db2.gz ZTHFGXOGYAFCSJ-ZNLUXHQJSA-N 2 1 379.504 3.504 20 0 GHADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000539288147 871642092 /nfs/dbraw/zinc/64/20/92/871642092.db2.gz CKRUNCDHLOCLSJ-JAXLGGSGSA-N 2 1 379.548 3.733 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN(C)C(C)(C)C[NH+]3CCCCCC3)sc2C1 ZINC000428487257 871693111 /nfs/dbraw/zinc/69/31/11/871693111.db2.gz XHHWAZKVCCOGFG-UHFFFAOYSA-N 2 1 378.630 3.996 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)c2cccs2)CC1 ZINC000552040289 871920159 /nfs/dbraw/zinc/92/01/59/871920159.db2.gz WERFABFWHDLQFQ-ICSRJNTNSA-N 2 1 387.597 3.671 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169949241 872048908 /nfs/dbraw/zinc/04/89/08/872048908.db2.gz MQIIFAZIYHMIHA-KRWDZBQOSA-N 2 1 387.911 3.696 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1sccc1Cl ZINC000552095641 872050082 /nfs/dbraw/zinc/05/00/82/872050082.db2.gz BXRPCGHMZIVISL-UHFFFAOYSA-N 2 1 383.989 3.670 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627067 872086058 /nfs/dbraw/zinc/08/60/58/872086058.db2.gz KYZBIHDCOIIMMU-LAUBAEHRSA-N 2 1 390.531 3.716 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)[C@@H](CCO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000093442610 872189493 /nfs/dbraw/zinc/18/94/93/872189493.db2.gz RWGGHPQMKDQSFV-QHCPKHFHSA-N 2 1 381.564 3.773 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447836014 872374513 /nfs/dbraw/zinc/37/45/13/872374513.db2.gz VYDYKIMWMKNDEI-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447836014 872374528 /nfs/dbraw/zinc/37/45/28/872374528.db2.gz VYDYKIMWMKNDEI-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[NH+]1Cc1ccccc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447836014 872374544 /nfs/dbraw/zinc/37/45/44/872374544.db2.gz VYDYKIMWMKNDEI-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447836013 872374916 /nfs/dbraw/zinc/37/49/16/872374916.db2.gz VYDYKIMWMKNDEI-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447836013 872374936 /nfs/dbraw/zinc/37/49/36/872374936.db2.gz VYDYKIMWMKNDEI-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1Cc1ccccc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447836013 872374954 /nfs/dbraw/zinc/37/49/54/872374954.db2.gz VYDYKIMWMKNDEI-KZTDQWPFSA-N 2 1 388.596 3.937 20 0 GHADMP CCN(CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1)C(=O)OC(C)(C)C ZINC000767410955 872473718 /nfs/dbraw/zinc/47/37/18/872473718.db2.gz HTWUOPPBOXRWDC-UHFFFAOYSA-N 2 1 378.561 3.941 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448152296 872964082 /nfs/dbraw/zinc/96/40/82/872964082.db2.gz XNUPWEMSQLQJHJ-UZLBHIALSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448152296 872964097 /nfs/dbraw/zinc/96/40/97/872964097.db2.gz XNUPWEMSQLQJHJ-UZLBHIALSA-N 2 1 383.540 3.661 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000061016449 882677053 /nfs/dbraw/zinc/67/70/53/882677053.db2.gz XVWBQYBVHFIAJL-UHFFFAOYSA-N 2 1 389.547 3.957 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001196623191 873263701 /nfs/dbraw/zinc/26/37/01/873263701.db2.gz OHBHZPIJTBPONU-KRWDZBQOSA-N 2 1 387.955 3.928 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000448471258 873437188 /nfs/dbraw/zinc/43/71/88/873437188.db2.gz CAJYXYZDCAPEGU-VQTJNVASSA-N 2 1 388.600 3.783 20 0 GHADMP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000134080790 882723242 /nfs/dbraw/zinc/72/32/42/882723242.db2.gz YXHUGSHNTRFORI-AQNXPRMDSA-N 2 1 397.567 3.540 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC1([NH+]2CCCCC2)CCOCC1 ZINC000237129891 882757340 /nfs/dbraw/zinc/75/73/40/882757340.db2.gz OQNCEYVEYSVGPO-UHFFFAOYSA-N 2 1 387.612 3.769 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000527933536 873808449 /nfs/dbraw/zinc/80/84/49/873808449.db2.gz OWQSAOWZSZETQA-APWZRJJASA-N 2 1 380.458 3.672 20 0 GHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000541599875 873920505 /nfs/dbraw/zinc/92/05/05/873920505.db2.gz RKWSVJKEKIBTAD-HKUYNNGSSA-N 2 1 378.582 3.611 20 0 GHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000541599875 873920510 /nfs/dbraw/zinc/92/05/10/873920510.db2.gz RKWSVJKEKIBTAD-HKUYNNGSSA-N 2 1 378.582 3.611 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc2c(c1)CCCC2 ZINC000541601534 873921767 /nfs/dbraw/zinc/92/17/67/873921767.db2.gz GTZNSIQJWGVDKT-SFYKDHMMSA-N 2 1 397.607 3.985 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)CCCC2 ZINC000541601534 873921774 /nfs/dbraw/zinc/92/17/74/873921774.db2.gz GTZNSIQJWGVDKT-SFYKDHMMSA-N 2 1 397.607 3.985 20 0 GHADMP C[C@@H](C[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1)NC(=O)OC(C)(C)C ZINC000769676251 874227760 /nfs/dbraw/zinc/22/77/60/874227760.db2.gz AMPITSZSQFHIBB-ROUUACIJSA-N 2 1 375.557 3.716 20 0 GHADMP C[C@@H](C[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1)NC(=O)OC(C)(C)C ZINC000769676251 874227769 /nfs/dbraw/zinc/22/77/69/874227769.db2.gz AMPITSZSQFHIBB-ROUUACIJSA-N 2 1 375.557 3.716 20 0 GHADMP CCC(CC)(CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000448984632 874315746 /nfs/dbraw/zinc/31/57/46/874315746.db2.gz TUNFBKFTPNZPNG-GOSISDBHSA-N 2 1 391.519 3.907 20 0 GHADMP COCCOc1ccccc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449084347 874436256 /nfs/dbraw/zinc/43/62/56/874436256.db2.gz GTNZMSNQPWULFU-HXUWFJFHSA-N 2 1 382.548 3.897 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449264471 874679216 /nfs/dbraw/zinc/67/92/16/874679216.db2.gz OYYIARVEOAMXQJ-VJBMBRPKSA-N 2 1 396.579 3.808 20 0 GHADMP COc1cc(F)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000449343082 874733494 /nfs/dbraw/zinc/73/34/94/874733494.db2.gz HNNTWTJXJVKODF-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000542053827 874862402 /nfs/dbraw/zinc/86/24/02/874862402.db2.gz UWCDMZPBDMSFOM-OAQYLSRUSA-N 2 1 380.621 3.508 20 0 GHADMP CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000542144006 875018403 /nfs/dbraw/zinc/01/84/03/875018403.db2.gz PSQKCKUONVLDFV-MJGOQNOKSA-N 2 1 389.634 3.979 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@H](c4ccc(Cl)cc4)C3)cn2)CC1 ZINC000449729903 875294904 /nfs/dbraw/zinc/29/49/04/875294904.db2.gz CGNPMWPEJMWTOW-FPOVZHCZSA-N 2 1 399.970 3.698 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000449771834 875370803 /nfs/dbraw/zinc/37/08/03/875370803.db2.gz KDGLRLJMQHYJSG-ZQGJOIPISA-N 2 1 394.563 3.531 20 0 GHADMP O[C@@H](COc1ccccc1F)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475739438 882950273 /nfs/dbraw/zinc/95/02/73/882950273.db2.gz OFIJOUYZWSYUAC-ZJSXRUAMSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccccc1F)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475739438 882950289 /nfs/dbraw/zinc/95/02/89/882950289.db2.gz OFIJOUYZWSYUAC-ZJSXRUAMSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccccc1F)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475739438 882950306 /nfs/dbraw/zinc/95/03/06/882950306.db2.gz OFIJOUYZWSYUAC-ZJSXRUAMSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccccc1F)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475739438 882950322 /nfs/dbraw/zinc/95/03/22/882950322.db2.gz OFIJOUYZWSYUAC-ZJSXRUAMSA-N 2 1 398.522 3.554 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001201626011 875801887 /nfs/dbraw/zinc/80/18/87/875801887.db2.gz HTNDMOKENRHKRD-HXUWFJFHSA-N 2 1 378.438 3.952 20 0 GHADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000303564005 875809248 /nfs/dbraw/zinc/80/92/48/875809248.db2.gz XNQADHJZKOXFSC-DEOSSOPVSA-N 2 1 395.547 3.786 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1cnc2n1CCCC2 ZINC000529311098 875995604 /nfs/dbraw/zinc/99/56/04/875995604.db2.gz BCVBEULKPUUDPN-IFMALSPDSA-N 2 1 394.563 3.630 20 0 GHADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000450243748 876160640 /nfs/dbraw/zinc/16/06/40/876160640.db2.gz LZGNDSBGVSLXKS-FQEVSTJZSA-N 2 1 379.976 3.599 20 0 GHADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000450243748 876160650 /nfs/dbraw/zinc/16/06/50/876160650.db2.gz LZGNDSBGVSLXKS-FQEVSTJZSA-N 2 1 379.976 3.599 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cccc2C1 ZINC000850034652 876619135 /nfs/dbraw/zinc/61/91/35/876619135.db2.gz KGKUWAIYPUXNQE-VQTJNVASSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000450563642 876619655 /nfs/dbraw/zinc/61/96/55/876619655.db2.gz OHTQBDYAXIDZBW-VABKMULXSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)C1 ZINC000450563642 876619662 /nfs/dbraw/zinc/61/96/62/876619662.db2.gz OHTQBDYAXIDZBW-VABKMULXSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](C)C1 ZINC000450563642 876619677 /nfs/dbraw/zinc/61/96/77/876619677.db2.gz OHTQBDYAXIDZBW-VABKMULXSA-N 2 1 378.649 3.518 20 0 GHADMP C[N@H+](Cc1ccn(CCc2ccccc2)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643803 876700860 /nfs/dbraw/zinc/70/08/60/876700860.db2.gz RKJDLTAEQBPSDC-UHFFFAOYSA-N 2 1 389.547 3.869 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(Cl)cc(C)c3OC)CC2)CC1 ZINC000529848822 876751452 /nfs/dbraw/zinc/75/14/52/876751452.db2.gz SXBAZDRAXDHDDY-UHFFFAOYSA-N 2 1 393.959 3.792 20 0 GHADMP CCn1c2ccccc2nc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000537661826 883060446 /nfs/dbraw/zinc/06/04/46/883060446.db2.gz ULRGCUZZUDSDDP-KDURUIRLSA-N 2 1 384.568 3.768 20 0 GHADMP CCn1c2ccccc2nc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000537661826 883060464 /nfs/dbraw/zinc/06/04/64/883060464.db2.gz ULRGCUZZUDSDDP-KDURUIRLSA-N 2 1 384.568 3.768 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000850582763 877056689 /nfs/dbraw/zinc/05/66/89/877056689.db2.gz LCLHVBSBPVJVBG-BLVKFPJESA-N 2 1 375.394 3.982 20 0 GHADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000850584664 877058480 /nfs/dbraw/zinc/05/84/80/877058480.db2.gz SZQFHGYPYIIXMR-DCXXXQMHSA-N 2 1 390.449 3.923 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)CC1 ZINC000564349931 877209458 /nfs/dbraw/zinc/20/94/58/877209458.db2.gz OJMMQIRJFXAXBW-QHCPKHFHSA-N 2 1 399.529 3.809 20 0 GHADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCCC1 ZINC000174740101 877214343 /nfs/dbraw/zinc/21/43/43/877214343.db2.gz QUXJLYWEOWDJPU-BJLQDIEVSA-N 2 1 392.613 3.551 20 0 GHADMP Cn1c2ccc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2sc1=O ZINC000195018037 883109337 /nfs/dbraw/zinc/10/93/37/883109337.db2.gz LUPASKWIVBIUGR-LJQANCHMSA-N 2 1 381.545 3.554 20 0 GHADMP Cn1c2ccc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2sc1=O ZINC000195018037 883109345 /nfs/dbraw/zinc/10/93/45/883109345.db2.gz LUPASKWIVBIUGR-LJQANCHMSA-N 2 1 381.545 3.554 20 0 GHADMP Cn1c2ccc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000195018037 883109353 /nfs/dbraw/zinc/10/93/53/883109353.db2.gz LUPASKWIVBIUGR-LJQANCHMSA-N 2 1 381.545 3.554 20 0 GHADMP Cn1c2ccc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000195018037 883109361 /nfs/dbraw/zinc/10/93/61/883109361.db2.gz LUPASKWIVBIUGR-LJQANCHMSA-N 2 1 381.545 3.554 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240446 877350549 /nfs/dbraw/zinc/35/05/49/877350549.db2.gz LCEPPEAEXAUSFI-ZBFHGGJFSA-N 2 1 378.467 3.583 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000136746903 877361533 /nfs/dbraw/zinc/36/15/33/877361533.db2.gz PRRREFCWOXQZNC-PKTZIBPZSA-N 2 1 398.595 3.544 20 0 GHADMP Cc1cc(NC(=O)CCn2cc[nH+]c2C(C)C)ccc1OCC[NH+]1CCCC1 ZINC000175024089 877410697 /nfs/dbraw/zinc/41/06/97/877410697.db2.gz JLPHJAFBYVUENX-UHFFFAOYSA-N 2 1 384.524 3.818 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c2)cc1 ZINC000666996873 877428394 /nfs/dbraw/zinc/42/83/94/877428394.db2.gz JXAJQIVVFUILGL-FQEVSTJZSA-N 2 1 379.504 3.712 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996864 877428504 /nfs/dbraw/zinc/42/85/04/877428504.db2.gz JFMYZQUVGDFAIK-LBPRGKRZSA-N 2 1 375.257 3.815 20 0 GHADMP C[C@@H](C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000477353322 877473979 /nfs/dbraw/zinc/47/39/79/877473979.db2.gz NGSRNRPHKLCPSY-HBMCJLEFSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000477353322 877473985 /nfs/dbraw/zinc/47/39/85/877473985.db2.gz NGSRNRPHKLCPSY-HBMCJLEFSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000477353322 877473993 /nfs/dbraw/zinc/47/39/93/877473993.db2.gz NGSRNRPHKLCPSY-HBMCJLEFSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000530335920 877568092 /nfs/dbraw/zinc/56/80/92/877568092.db2.gz PBMFCRGBKVHWQF-OAQYLSRUSA-N 2 1 393.522 3.508 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CC[C@H](CO)[C@H]2CC)c1 ZINC000451276222 877698500 /nfs/dbraw/zinc/69/85/00/877698500.db2.gz ZWSAFZGXVWTHIF-NPDDRXJXSA-N 2 1 394.987 3.526 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)[C@H]2CC)c1 ZINC000451276222 877698501 /nfs/dbraw/zinc/69/85/01/877698501.db2.gz ZWSAFZGXVWTHIF-NPDDRXJXSA-N 2 1 394.987 3.526 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CO)[C@H]2CC)c1 ZINC000451276222 877698504 /nfs/dbraw/zinc/69/85/04/877698504.db2.gz ZWSAFZGXVWTHIF-NPDDRXJXSA-N 2 1 394.987 3.526 20 0 GHADMP CC(C)(CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000175634827 877810049 /nfs/dbraw/zinc/81/00/49/877810049.db2.gz AMFOYSKAFDEWFG-UHFFFAOYSA-N 2 1 398.595 3.530 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1C/C=C/C[NH+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334625 877821295 /nfs/dbraw/zinc/82/12/95/877821295.db2.gz CNFUWCVVSOIFFF-LPAXEEFKSA-N 2 1 390.612 3.574 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334625 877821302 /nfs/dbraw/zinc/82/13/02/877821302.db2.gz CNFUWCVVSOIFFF-LPAXEEFKSA-N 2 1 390.612 3.574 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451334625 877821309 /nfs/dbraw/zinc/82/13/09/877821309.db2.gz CNFUWCVVSOIFFF-LPAXEEFKSA-N 2 1 390.612 3.574 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245427987 877856368 /nfs/dbraw/zinc/85/63/68/877856368.db2.gz WSIMOKJINJEFOC-FGZHOGPDSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245427987 877856380 /nfs/dbraw/zinc/85/63/80/877856380.db2.gz WSIMOKJINJEFOC-FGZHOGPDSA-N 2 1 387.543 3.657 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530460483 877862678 /nfs/dbraw/zinc/86/26/78/877862678.db2.gz YAEDOVYNSQQXHY-LLVKDONJSA-N 2 1 388.821 3.642 20 0 GHADMP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000851812295 877923619 /nfs/dbraw/zinc/92/36/19/877923619.db2.gz HGJHLZWXKBEQQN-IEBWSBKVSA-N 2 1 390.505 3.547 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)cn1 ZINC000788244656 877945258 /nfs/dbraw/zinc/94/52/58/877945258.db2.gz HZDDALTVDXWZLZ-OALUTQOASA-N 2 1 399.539 3.891 20 0 GHADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852296403 878206868 /nfs/dbraw/zinc/20/68/68/878206868.db2.gz MTFHKUBTPCHRMZ-LJQANCHMSA-N 2 1 376.545 3.551 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000788669647 878262177 /nfs/dbraw/zinc/26/21/77/878262177.db2.gz FOCJTSQIHKPCKR-XUVXKRRUSA-N 2 1 381.605 3.980 20 0 GHADMP c1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nn1-c1ccccc1 ZINC000537852175 878430544 /nfs/dbraw/zinc/43/05/44/878430544.db2.gz XZHPQWGHYUEIRS-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP c1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nn1-c1ccccc1 ZINC000537852175 878430552 /nfs/dbraw/zinc/43/05/52/878430552.db2.gz XZHPQWGHYUEIRS-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C[NH+]1CCCC1 ZINC000616064616 878502317 /nfs/dbraw/zinc/50/23/17/878502317.db2.gz GDMXJPMYMTUUFY-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177265475 878626858 /nfs/dbraw/zinc/62/68/58/878626858.db2.gz JRFUWWLWQPVLOK-OAQYLSRUSA-N 2 1 383.580 3.812 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C=C2CC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000852870451 878638481 /nfs/dbraw/zinc/63/84/81/878638481.db2.gz CNNCQXZFGWFWMN-FXAWDEMLSA-N 2 1 395.469 3.514 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2ccccc2n1 ZINC000538045815 878753504 /nfs/dbraw/zinc/75/35/04/878753504.db2.gz NVGKQWAZVYWGOV-WOJBJXKFSA-N 2 1 397.563 3.633 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC000530978490 878867157 /nfs/dbraw/zinc/86/71/57/878867157.db2.gz BIOIAYHTMXBWHC-NRFANRHFSA-N 2 1 390.531 3.618 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cn1cccn1 ZINC000853240280 878925224 /nfs/dbraw/zinc/92/52/24/878925224.db2.gz OLJNDUJSLWBVIV-UYAOXDASSA-N 2 1 382.552 3.713 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000649330016 879028317 /nfs/dbraw/zinc/02/83/17/879028317.db2.gz PPMZQTNEIGIJFF-UGKGYDQZSA-N 2 1 394.563 3.538 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538274678 879166353 /nfs/dbraw/zinc/16/63/53/879166353.db2.gz XTJRCURHQMORIP-DYQZNNLLSA-N 2 1 385.596 3.931 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccn(-c4ccccc4)n3)CC2)CC1 ZINC000531187939 879274548 /nfs/dbraw/zinc/27/45/48/879274548.db2.gz GXBPDHBDQUWUNR-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccn(-c4ccccc4)n3)CC2)CC1 ZINC000531187939 879274565 /nfs/dbraw/zinc/27/45/65/879274565.db2.gz GXBPDHBDQUWUNR-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789770726 879286362 /nfs/dbraw/zinc/28/63/62/879286362.db2.gz RDNMZQVSODAJKA-KRWDZBQOSA-N 2 1 391.475 3.725 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CCCO1 ZINC000761579894 879329387 /nfs/dbraw/zinc/32/93/87/879329387.db2.gz PZCIKEDSHFHMPD-QGZVFWFLSA-N 2 1 384.549 3.653 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CCCO1 ZINC000761579894 879329407 /nfs/dbraw/zinc/32/94/07/879329407.db2.gz PZCIKEDSHFHMPD-QGZVFWFLSA-N 2 1 384.549 3.653 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000246360120 879459326 /nfs/dbraw/zinc/45/93/26/879459326.db2.gz PSVRZOIEDHNDPW-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000246360120 879459330 /nfs/dbraw/zinc/45/93/30/879459330.db2.gz PSVRZOIEDHNDPW-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000246360120 879459336 /nfs/dbraw/zinc/45/93/36/879459336.db2.gz PSVRZOIEDHNDPW-KNKQGSTJSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000531339242 879653424 /nfs/dbraw/zinc/65/34/24/879653424.db2.gz XJQRMKFWODUWKY-HXUWFJFHSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000531339242 879653434 /nfs/dbraw/zinc/65/34/34/879653434.db2.gz XJQRMKFWODUWKY-HXUWFJFHSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000531339242 879653444 /nfs/dbraw/zinc/65/34/44/879653444.db2.gz XJQRMKFWODUWKY-HXUWFJFHSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000531339242 879653451 /nfs/dbraw/zinc/65/34/51/879653451.db2.gz XJQRMKFWODUWKY-HXUWFJFHSA-N 2 1 375.532 3.513 20 0 GHADMP C[C@H]([N@@H+](Cc1ccccc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)(C)C ZINC000790386000 879657126 /nfs/dbraw/zinc/65/71/26/879657126.db2.gz OWPNIUUSYKPRBS-FDDCHVKYSA-N 2 1 385.552 3.797 20 0 GHADMP C[C@H]([N@H+](Cc1ccccc1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)(C)C ZINC000790386000 879657142 /nfs/dbraw/zinc/65/71/42/879657142.db2.gz OWPNIUUSYKPRBS-FDDCHVKYSA-N 2 1 385.552 3.797 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccccc43)c2)C1 ZINC000246618410 879723997 /nfs/dbraw/zinc/72/39/97/879723997.db2.gz SVDOESGYGHAXSL-GGAORHGYSA-N 2 1 377.532 3.551 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)[C@@H](OC)c3ccccc3)cc2)CC1 ZINC000493967661 879786306 /nfs/dbraw/zinc/78/63/06/879786306.db2.gz HNRCNBDTBXKIJI-HYBUGGRVSA-N 2 1 381.564 3.690 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC000246839729 879822771 /nfs/dbraw/zinc/82/27/71/879822771.db2.gz CBZWUMDDFHODQD-YAJHFMINSA-N 2 1 397.966 3.561 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC000246839729 879822785 /nfs/dbraw/zinc/82/27/85/879822785.db2.gz CBZWUMDDFHODQD-YAJHFMINSA-N 2 1 397.966 3.561 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246859516 879831450 /nfs/dbraw/zinc/83/14/50/879831450.db2.gz PNGDLSDACJVOJR-DBVUQKKJSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246859516 879831462 /nfs/dbraw/zinc/83/14/62/879831462.db2.gz PNGDLSDACJVOJR-DBVUQKKJSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246859516 879831468 /nfs/dbraw/zinc/83/14/68/879831468.db2.gz PNGDLSDACJVOJR-DBVUQKKJSA-N 2 1 382.470 3.558 20 0 GHADMP C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873884 879836513 /nfs/dbraw/zinc/83/65/13/879836513.db2.gz LOVYLIUOFWCJSE-DEYYWGMASA-N 2 1 384.351 3.587 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000246962060 879864356 /nfs/dbraw/zinc/86/43/56/879864356.db2.gz IPQRGRFKZHPODQ-RBUKOAKNSA-N 2 1 393.597 3.532 20 0 GHADMP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000461466425 879885753 /nfs/dbraw/zinc/88/57/53/879885753.db2.gz JHKXFOZXPHYHQS-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000461466425 879885765 /nfs/dbraw/zinc/88/57/65/879885765.db2.gz JHKXFOZXPHYHQS-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000461466425 879885776 /nfs/dbraw/zinc/88/57/76/879885776.db2.gz JHKXFOZXPHYHQS-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000461466425 879885792 /nfs/dbraw/zinc/88/57/92/879885792.db2.gz JHKXFOZXPHYHQS-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000247033917 879892827 /nfs/dbraw/zinc/89/28/27/879892827.db2.gz YMFODKNILRUSBT-QFBILLFUSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000247033917 879892842 /nfs/dbraw/zinc/89/28/42/879892842.db2.gz YMFODKNILRUSBT-QFBILLFUSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000247033917 879892854 /nfs/dbraw/zinc/89/28/54/879892854.db2.gz YMFODKNILRUSBT-QFBILLFUSA-N 2 1 386.927 3.881 20 0 GHADMP Clc1ccc(-c2noc(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000247033917 879892866 /nfs/dbraw/zinc/89/28/66/879892866.db2.gz YMFODKNILRUSBT-QFBILLFUSA-N 2 1 386.927 3.881 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)CC[C@@H]21 ZINC000140278941 879928715 /nfs/dbraw/zinc/92/87/15/879928715.db2.gz CEVARPCYZWCQBL-PKTZIBPZSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494213547 879998042 /nfs/dbraw/zinc/99/80/42/879998042.db2.gz UNUZCDUWJRPHQN-ZAAXVRCTSA-N 2 1 381.923 3.603 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000494213547 879998058 /nfs/dbraw/zinc/99/80/58/879998058.db2.gz UNUZCDUWJRPHQN-ZAAXVRCTSA-N 2 1 381.923 3.603 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000123190163 880036912 /nfs/dbraw/zinc/03/69/12/880036912.db2.gz ZTUARBTWYKBEQP-QGZVFWFLSA-N 2 1 383.540 3.615 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247939833 880090666 /nfs/dbraw/zinc/09/06/66/880090666.db2.gz CXKXYIRWGWDSMD-JKIFEVAISA-N 2 1 397.386 3.768 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247939833 880090674 /nfs/dbraw/zinc/09/06/74/880090674.db2.gz CXKXYIRWGWDSMD-JKIFEVAISA-N 2 1 397.386 3.768 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286058989 912551284 /nfs/dbraw/zinc/55/12/84/912551284.db2.gz KORSQIKJZRLUGH-FCHUYYIVSA-N 2 1 382.552 3.778 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286058989 912551297 /nfs/dbraw/zinc/55/12/97/912551297.db2.gz KORSQIKJZRLUGH-FCHUYYIVSA-N 2 1 382.552 3.778 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286058989 912551307 /nfs/dbraw/zinc/55/13/07/912551307.db2.gz KORSQIKJZRLUGH-FCHUYYIVSA-N 2 1 382.552 3.778 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCO1 ZINC000453220474 880637778 /nfs/dbraw/zinc/63/77/78/880637778.db2.gz UEZLGFNANJIPMU-BUZMGHMJSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCO1 ZINC000453220474 880637783 /nfs/dbraw/zinc/63/77/83/880637783.db2.gz UEZLGFNANJIPMU-BUZMGHMJSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCO1 ZINC000453220474 880637791 /nfs/dbraw/zinc/63/77/91/880637791.db2.gz UEZLGFNANJIPMU-BUZMGHMJSA-N 2 1 385.596 3.520 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)c2cccs2)CC1 ZINC000531932473 880783504 /nfs/dbraw/zinc/78/35/04/880783504.db2.gz NFQOBHBDGXVUKO-RBUKOAKNSA-N 2 1 389.540 3.679 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000531932027 880784723 /nfs/dbraw/zinc/78/47/23/880784723.db2.gz AGCKVXIYFIUESL-NQIIRXRSSA-N 2 1 395.576 3.573 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000531932980 880785731 /nfs/dbraw/zinc/78/57/31/880785731.db2.gz GACJPCSORQBHPU-QZTJIDSGSA-N 2 1 379.976 3.931 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4cc(OC)ccc43)cc2)CC1 ZINC000531937914 880795413 /nfs/dbraw/zinc/79/54/13/880795413.db2.gz PKHSXARVNINCBT-RUZDIDTESA-N 2 1 393.575 4.000 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000531948443 880807653 /nfs/dbraw/zinc/80/76/53/880807653.db2.gz GVEWQZZNQFFBHD-JTHBVZDNSA-N 2 1 385.596 3.664 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000531948443 880807671 /nfs/dbraw/zinc/80/76/71/880807671.db2.gz GVEWQZZNQFFBHD-JTHBVZDNSA-N 2 1 385.596 3.664 20 0 GHADMP COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000531989427 880843120 /nfs/dbraw/zinc/84/31/20/880843120.db2.gz OXBXAOFMSSJESY-MRXNPFEDSA-N 2 1 378.476 3.616 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1OC ZINC000286186113 912613265 /nfs/dbraw/zinc/61/32/65/912613265.db2.gz RAHVWTNRTVXLMJ-OAHLLOKOSA-N 2 1 398.551 3.609 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000776866836 880916146 /nfs/dbraw/zinc/91/61/46/880916146.db2.gz ZWZYAGGIGFHMJJ-XMGTWHOFSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000776866836 880916149 /nfs/dbraw/zinc/91/61/49/880916149.db2.gz ZWZYAGGIGFHMJJ-XMGTWHOFSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000186751328 880976472 /nfs/dbraw/zinc/97/64/72/880976472.db2.gz CHUXAHFOVLUYAW-GOSISDBHSA-N 2 1 390.597 3.621 20 0 GHADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000792253618 881018480 /nfs/dbraw/zinc/01/84/80/881018480.db2.gz FCTZQCVONFELHG-FXAWDEMLSA-N 2 1 384.524 3.916 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2=O)c(C)c1 ZINC000249044090 912637398 /nfs/dbraw/zinc/63/73/98/912637398.db2.gz HEQOQDWATLJGRS-URVUXULASA-N 2 1 383.580 3.960 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)C2=O)c(C)c1 ZINC000249044090 912637411 /nfs/dbraw/zinc/63/74/11/912637411.db2.gz HEQOQDWATLJGRS-URVUXULASA-N 2 1 383.580 3.960 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4c(F)cccc4F)o3)C2)CC1 ZINC000537622655 881188104 /nfs/dbraw/zinc/18/81/04/881188104.db2.gz GWSJFMNLORKKQI-QGZVFWFLSA-N 2 1 389.490 3.825 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001170255250 881305510 /nfs/dbraw/zinc/30/55/10/881305510.db2.gz NGQVCCAMIMHQBJ-OAHLLOKOSA-N 2 1 381.948 3.589 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001170285606 881334529 /nfs/dbraw/zinc/33/45/29/881334529.db2.gz SRTFYFSFSWGGTL-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000134933899 883120391 /nfs/dbraw/zinc/12/03/91/883120391.db2.gz USZSMTZYMINMOM-UEVCKROQSA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000134933899 883120400 /nfs/dbraw/zinc/12/04/00/883120400.db2.gz USZSMTZYMINMOM-UEVCKROQSA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000134933899 883120405 /nfs/dbraw/zinc/12/04/05/883120405.db2.gz USZSMTZYMINMOM-UEVCKROQSA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000134933899 883120415 /nfs/dbraw/zinc/12/04/15/883120415.db2.gz USZSMTZYMINMOM-UEVCKROQSA-N 2 1 381.564 3.519 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858490916 883141367 /nfs/dbraw/zinc/14/13/67/883141367.db2.gz SIIJKKXSYZKJJU-SJLPKXTDSA-N 2 1 390.572 3.797 20 0 GHADMP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858492525 883144523 /nfs/dbraw/zinc/14/45/23/883144523.db2.gz YGGBWDLOLZUNSC-RTBURBONSA-N 2 1 385.552 3.553 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000123239203 883261633 /nfs/dbraw/zinc/26/16/33/883261633.db2.gz DYTWZUGIWRQGRK-PXNSSMCTSA-N 2 1 383.540 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000123239203 883261643 /nfs/dbraw/zinc/26/16/43/883261643.db2.gz DYTWZUGIWRQGRK-PXNSSMCTSA-N 2 1 383.540 3.758 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001168468779 883465516 /nfs/dbraw/zinc/46/55/16/883465516.db2.gz OHKKTEMIHJJMBF-QGZVFWFLSA-N 2 1 381.536 3.583 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476990374 883522962 /nfs/dbraw/zinc/52/29/62/883522962.db2.gz WVOFKLGMIHKYAT-IBGZPJMESA-N 2 1 387.568 3.919 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476990374 883522978 /nfs/dbraw/zinc/52/29/78/883522978.db2.gz WVOFKLGMIHKYAT-IBGZPJMESA-N 2 1 387.568 3.919 20 0 GHADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000551265581 883575128 /nfs/dbraw/zinc/57/51/28/883575128.db2.gz WEKCNMKVMMDTED-RPWUZVMVSA-N 2 1 394.559 3.893 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cs1 ZINC000194036901 883643996 /nfs/dbraw/zinc/64/39/96/883643996.db2.gz GXJWKGUNSNFRCX-HMXCVIKNSA-N 2 1 389.609 3.855 20 0 GHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215154 883669213 /nfs/dbraw/zinc/66/92/13/883669213.db2.gz WDYVANHIWGUZKH-CQSZACIVSA-N 2 1 377.891 4.000 20 0 GHADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215154 883669216 /nfs/dbraw/zinc/66/92/16/883669216.db2.gz WDYVANHIWGUZKH-CQSZACIVSA-N 2 1 377.891 4.000 20 0 GHADMP Fc1cccc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1Cl ZINC001211911683 883842215 /nfs/dbraw/zinc/84/22/15/883842215.db2.gz SWPYVQQMLWXJHU-MRXNPFEDSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1cccc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1Cl ZINC001211911683 883842227 /nfs/dbraw/zinc/84/22/27/883842227.db2.gz SWPYVQQMLWXJHU-MRXNPFEDSA-N 2 1 398.869 3.718 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000194734677 883913997 /nfs/dbraw/zinc/91/39/97/883913997.db2.gz RRXKUTYJZPCEDS-QFIPXVFZSA-N 2 1 377.532 3.534 20 0 GHADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CCC[NH+]2Cc2ccccc21 ZINC000116710043 884037259 /nfs/dbraw/zinc/03/72/59/884037259.db2.gz UBXGDAYDCYYVCP-GOTSBHOMSA-N 2 1 389.543 3.910 20 0 GHADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000116710043 884037266 /nfs/dbraw/zinc/03/72/66/884037266.db2.gz UBXGDAYDCYYVCP-GOTSBHOMSA-N 2 1 389.543 3.910 20 0 GHADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000116710043 884037278 /nfs/dbraw/zinc/03/72/78/884037278.db2.gz UBXGDAYDCYYVCP-GOTSBHOMSA-N 2 1 389.543 3.910 20 0 GHADMP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000494881242 884107792 /nfs/dbraw/zinc/10/77/92/884107792.db2.gz VZCLQBSWFXQNKB-ZJSXRUAMSA-N 2 1 398.522 3.915 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CCC(C)(C)CC1 ZINC000494900654 884155883 /nfs/dbraw/zinc/15/58/83/884155883.db2.gz BEOMCLJFVGKMTQ-UHFFFAOYSA-N 2 1 377.617 3.858 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000105094107 884158056 /nfs/dbraw/zinc/15/80/56/884158056.db2.gz LFEZLPAQCUDQDV-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)CC1 ZINC001142531987 884597565 /nfs/dbraw/zinc/59/75/65/884597565.db2.gz SBKYUISKNVITTC-NRFANRHFSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001142531987 884597571 /nfs/dbraw/zinc/59/75/71/884597571.db2.gz SBKYUISKNVITTC-NRFANRHFSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001142531987 884597580 /nfs/dbraw/zinc/59/75/80/884597580.db2.gz SBKYUISKNVITTC-NRFANRHFSA-N 2 1 383.580 3.622 20 0 GHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000498622220 885062177 /nfs/dbraw/zinc/06/21/77/885062177.db2.gz XEKYNHHUOFUNEA-PKTZIBPZSA-N 2 1 377.532 3.604 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)CC1 ZINC000556496742 885149139 /nfs/dbraw/zinc/14/91/39/885149139.db2.gz DNSYVLLUWDNKEZ-RPBOFIJWSA-N 2 1 399.623 3.721 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000045788429 885318060 /nfs/dbraw/zinc/31/80/60/885318060.db2.gz CMWDGXILBBHDGP-HXUWFJFHSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC000498707649 885390290 /nfs/dbraw/zinc/39/02/90/885390290.db2.gz VHRCESAUPVBUGD-PNJWGLBASA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000498707649 885390308 /nfs/dbraw/zinc/39/03/08/885390308.db2.gz VHRCESAUPVBUGD-PNJWGLBASA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000498707649 885390323 /nfs/dbraw/zinc/39/03/23/885390323.db2.gz VHRCESAUPVBUGD-PNJWGLBASA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000303049707 885439944 /nfs/dbraw/zinc/43/99/44/885439944.db2.gz XVALSPNSHOJPHI-WIYYLYMNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000303049707 885439949 /nfs/dbraw/zinc/43/99/49/885439949.db2.gz XVALSPNSHOJPHI-WIYYLYMNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2sccc2C1 ZINC000303049707 885439956 /nfs/dbraw/zinc/43/99/56/885439956.db2.gz XVALSPNSHOJPHI-WIYYLYMNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2sccc2C1 ZINC000303049707 885439965 /nfs/dbraw/zinc/43/99/65/885439965.db2.gz XVALSPNSHOJPHI-WIYYLYMNSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000303049704 885440171 /nfs/dbraw/zinc/44/01/71/885440171.db2.gz XVALSPNSHOJPHI-GHTZIAJQSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCc2sccc2C1 ZINC000303049704 885440176 /nfs/dbraw/zinc/44/01/76/885440176.db2.gz XVALSPNSHOJPHI-GHTZIAJQSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCc2sccc2C1 ZINC000303049704 885440182 /nfs/dbraw/zinc/44/01/82/885440182.db2.gz XVALSPNSHOJPHI-GHTZIAJQSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCc2sccc2C1 ZINC000303049704 885440190 /nfs/dbraw/zinc/44/01/90/885440190.db2.gz XVALSPNSHOJPHI-GHTZIAJQSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495375514 885567037 /nfs/dbraw/zinc/56/70/37/885567037.db2.gz YDUFTNLOSPEWFP-PZJWPPBQSA-N 2 1 385.596 3.914 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Br)c(F)c2)CC1 ZINC000131128747 885568148 /nfs/dbraw/zinc/56/81/48/885568148.db2.gz WWNAKBUNHNOSSC-HNNXBMFYSA-N 2 1 386.353 3.657 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H](CNC3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769010 885571543 /nfs/dbraw/zinc/57/15/43/885571543.db2.gz AZWCYDRYVKRKJG-UPVQGACJSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769010 885571550 /nfs/dbraw/zinc/57/15/50/885571550.db2.gz AZWCYDRYVKRKJG-UPVQGACJSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769010 885571568 /nfs/dbraw/zinc/57/15/68/885571568.db2.gz AZWCYDRYVKRKJG-UPVQGACJSA-N 2 1 385.596 3.522 20 0 GHADMP C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000807620931 885577290 /nfs/dbraw/zinc/57/72/90/885577290.db2.gz SYUMOSVBUXXNJC-WMZHIEFXSA-N 2 1 394.563 3.553 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495379497 885594591 /nfs/dbraw/zinc/59/45/91/885594591.db2.gz KSESMYRVFMKCEU-NNMXDRDESA-N 2 1 375.520 3.829 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000173433820 885664384 /nfs/dbraw/zinc/66/43/84/885664384.db2.gz SUAJJQHVBKSGOD-UHFFFAOYSA-N 2 1 397.567 3.525 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000173433820 885664392 /nfs/dbraw/zinc/66/43/92/885664392.db2.gz SUAJJQHVBKSGOD-UHFFFAOYSA-N 2 1 397.567 3.525 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)C[C@H](C)O1 ZINC000108363850 885665821 /nfs/dbraw/zinc/66/58/21/885665821.db2.gz YJFVSPSKCMZPMO-HOTGVXAUSA-N 2 1 375.538 3.724 20 0 GHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550640756 885674424 /nfs/dbraw/zinc/67/44/24/885674424.db2.gz CFPCHWWWMMHLBZ-LADGPHEKSA-N 3 1 381.564 3.595 20 0 GHADMP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550640756 885674436 /nfs/dbraw/zinc/67/44/36/885674436.db2.gz CFPCHWWWMMHLBZ-LADGPHEKSA-N 3 1 381.564 3.595 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000108428157 885728605 /nfs/dbraw/zinc/72/86/05/885728605.db2.gz PXSONTNGOHAYBJ-MRXNPFEDSA-N 2 1 391.357 3.683 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000108428157 885728613 /nfs/dbraw/zinc/72/86/13/885728613.db2.gz PXSONTNGOHAYBJ-MRXNPFEDSA-N 2 1 391.357 3.683 20 0 GHADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000532526652 885892769 /nfs/dbraw/zinc/89/27/69/885892769.db2.gz ZKXXLCMESSQONB-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000532526652 885892781 /nfs/dbraw/zinc/89/27/81/885892781.db2.gz ZKXXLCMESSQONB-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC000498859985 885960466 /nfs/dbraw/zinc/96/04/66/885960466.db2.gz YLHRMUUOXSGCLZ-QUCCMNQESA-N 2 1 380.960 3.524 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC000498859985 885960486 /nfs/dbraw/zinc/96/04/86/885960486.db2.gz YLHRMUUOXSGCLZ-QUCCMNQESA-N 2 1 380.960 3.524 20 0 GHADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000056162140 886180794 /nfs/dbraw/zinc/18/07/94/886180794.db2.gz QBECPTSGTCDEGF-SOLBZPMBSA-N 2 1 384.524 3.578 20 0 GHADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000056162140 886180803 /nfs/dbraw/zinc/18/08/03/886180803.db2.gz QBECPTSGTCDEGF-SOLBZPMBSA-N 2 1 384.524 3.578 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)C2)s1 ZINC000556829833 886283498 /nfs/dbraw/zinc/28/34/98/886283498.db2.gz XLBUKJHKUKKVHT-PBWTXFEYSA-N 2 1 377.598 3.598 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000808388828 886319466 /nfs/dbraw/zinc/31/94/66/886319466.db2.gz AZPIABPBCMPRIM-KDOFPFPSSA-N 2 1 399.348 3.752 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000644101982 913037061 /nfs/dbraw/zinc/03/70/61/913037061.db2.gz KWJAPZRXEZKNFO-UHFFFAOYSA-N 2 1 386.499 3.612 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccccn1 ZINC000556869481 886419554 /nfs/dbraw/zinc/41/95/54/886419554.db2.gz IHSKGKHVOLBLEL-FDFHNCONSA-N 2 1 392.547 3.691 20 0 GHADMP COCCC[N@@H+](C1CCC([NH+](C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001168324404 886513778 /nfs/dbraw/zinc/51/37/78/886513778.db2.gz NMBLGUPNSCHWSE-SOAGJPPSSA-N 2 1 397.604 3.597 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(C)c1OC ZINC000556891245 886517309 /nfs/dbraw/zinc/51/73/09/886517309.db2.gz ADFYHZLVWHIASL-WIYYLYMNSA-N 2 1 398.547 3.820 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536521286 886695327 /nfs/dbraw/zinc/69/53/27/886695327.db2.gz GDOFILDHNNJAJF-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127323701 887052025 /nfs/dbraw/zinc/05/20/25/887052025.db2.gz CTLAWPVLXJNAFX-UHFFFAOYSA-N 2 1 389.931 3.865 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127323701 887052037 /nfs/dbraw/zinc/05/20/37/887052037.db2.gz CTLAWPVLXJNAFX-UHFFFAOYSA-N 2 1 389.931 3.865 20 0 GHADMP O[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1F ZINC000762927296 887115878 /nfs/dbraw/zinc/11/58/78/887115878.db2.gz PCRPHYDGJXKDAG-JOCHJYFZSA-N 2 1 386.486 3.986 20 0 GHADMP C[C@H](Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000809656462 887662958 /nfs/dbraw/zinc/66/29/58/887662958.db2.gz CXRLSNDKZUIMNK-OFAXGOBFSA-N 2 1 395.547 3.773 20 0 GHADMP C[C@H](Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000809656462 887662959 /nfs/dbraw/zinc/66/29/59/887662959.db2.gz CXRLSNDKZUIMNK-OFAXGOBFSA-N 2 1 395.547 3.773 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184406041 913168209 /nfs/dbraw/zinc/16/82/09/913168209.db2.gz WWGZZXOTXSRWJT-SFHVURJKSA-N 2 1 377.960 3.543 20 0 GHADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000119962311 887682945 /nfs/dbraw/zinc/68/29/45/887682945.db2.gz WKZVKIFWEVBSLX-WMZOPIPTSA-N 2 1 397.485 3.689 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134110270 887835389 /nfs/dbraw/zinc/83/53/89/887835389.db2.gz ITJGTTBMFQSZJI-QDSKXPNFSA-N 2 1 378.564 3.719 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134110270 887835397 /nfs/dbraw/zinc/83/53/97/887835397.db2.gz ITJGTTBMFQSZJI-QDSKXPNFSA-N 2 1 378.564 3.719 20 0 GHADMP O[C@H](CNc1cccn2cc[nH+]c12)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001170597791 888202829 /nfs/dbraw/zinc/20/28/29/888202829.db2.gz YJNBQONLTNSYRG-JOCHJYFZSA-N 2 1 386.499 3.810 20 0 GHADMP Brc1ncccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000865458562 888363842 /nfs/dbraw/zinc/36/38/42/888363842.db2.gz KDNWLSNIRKQLTB-UHFFFAOYSA-N 2 1 390.325 3.609 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000120636530 888444978 /nfs/dbraw/zinc/44/49/78/888444978.db2.gz BNSUOMPKEMKIEA-AUSIDOKSSA-N 2 1 382.548 3.763 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810413196 888478473 /nfs/dbraw/zinc/47/84/73/888478473.db2.gz QXFSNTWZMJPBTP-VGOFRKELSA-N 2 1 375.532 3.541 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)s1 ZINC000865655348 888502770 /nfs/dbraw/zinc/50/27/70/888502770.db2.gz DYFLWYQJZMHWNR-MRXNPFEDSA-N 2 1 386.487 3.616 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000810549145 888643797 /nfs/dbraw/zinc/64/37/97/888643797.db2.gz HRWTWIVDHCLZQB-QFIPXVFZSA-N 2 1 376.516 3.654 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000509674400 888763273 /nfs/dbraw/zinc/76/32/73/888763273.db2.gz XCWKXKRZHRJSOQ-HMMYKYKNSA-N 2 1 380.532 3.858 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3CC[NH+](C4CCC4)CC3)cc2)C1 ZINC000454324340 888792970 /nfs/dbraw/zinc/79/29/70/888792970.db2.gz VNIQJSHIRUAWDT-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866306799 888822311 /nfs/dbraw/zinc/82/23/11/888822311.db2.gz MZKXDQICAWBUPG-KMDXXIMOSA-N 2 1 379.548 3.723 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2c(ccnc2Cl)o1 ZINC000866389525 888853177 /nfs/dbraw/zinc/85/31/77/888853177.db2.gz USXVKPWRLOCLQX-PBHICJAKSA-N 2 1 385.895 3.899 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1)CC(C)C ZINC000810877948 888948830 /nfs/dbraw/zinc/94/88/30/888948830.db2.gz OTEADDLQBIKVGS-JOCHJYFZSA-N 2 1 383.596 3.806 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1)CC(C)C ZINC000810877948 888948837 /nfs/dbraw/zinc/94/88/37/888948837.db2.gz OTEADDLQBIKVGS-JOCHJYFZSA-N 2 1 383.596 3.806 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1)CC(C)C ZINC000810877948 888948841 /nfs/dbraw/zinc/94/88/41/888948841.db2.gz OTEADDLQBIKVGS-JOCHJYFZSA-N 2 1 383.596 3.806 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657329 889176813 /nfs/dbraw/zinc/17/68/13/889176813.db2.gz DWKOSKTWIAFNMT-HFDWIEFGSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657329 889176817 /nfs/dbraw/zinc/17/68/17/889176817.db2.gz DWKOSKTWIAFNMT-HFDWIEFGSA-N 2 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000245657329 889176820 /nfs/dbraw/zinc/17/68/20/889176820.db2.gz DWKOSKTWIAFNMT-HFDWIEFGSA-N 2 1 399.623 3.909 20 0 GHADMP C[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000868181051 889337077 /nfs/dbraw/zinc/33/70/77/889337077.db2.gz NDVJTTZYAGHTIL-JJJJLYANSA-N 2 1 378.520 3.533 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000644524160 913335983 /nfs/dbraw/zinc/33/59/83/913335983.db2.gz XFPVVCYYWKFFTA-CXSMSNRLSA-N 2 1 394.559 3.678 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000532950890 889364939 /nfs/dbraw/zinc/36/49/39/889364939.db2.gz VFHGFXRQTPXOOB-CQSZACIVSA-N 2 1 392.544 3.815 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000532950890 889364954 /nfs/dbraw/zinc/36/49/54/889364954.db2.gz VFHGFXRQTPXOOB-CQSZACIVSA-N 2 1 392.544 3.815 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530884 913345490 /nfs/dbraw/zinc/34/54/90/913345490.db2.gz RRBGGXSTNCRGNZ-DHIUTWEWSA-N 2 1 382.548 3.545 20 0 GHADMP Brc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000124518269 889657273 /nfs/dbraw/zinc/65/72/73/889657273.db2.gz YDKBZWRCUYGIFG-GFCCVEGCSA-N 2 1 388.147 3.786 20 0 GHADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1OC ZINC000245760906 889662782 /nfs/dbraw/zinc/66/27/82/889662782.db2.gz VOYAQMMBPRHOHF-WKCHPHFGSA-N 2 1 396.531 3.998 20 0 GHADMP COc1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1OC ZINC000245760906 889662791 /nfs/dbraw/zinc/66/27/91/889662791.db2.gz VOYAQMMBPRHOHF-WKCHPHFGSA-N 2 1 396.531 3.998 20 0 GHADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1OC ZINC000245760899 889663232 /nfs/dbraw/zinc/66/32/32/889663232.db2.gz VOYAQMMBPRHOHF-MZADTFQBSA-N 2 1 396.531 3.998 20 0 GHADMP COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(OC)c1OC ZINC000245760899 889663236 /nfs/dbraw/zinc/66/32/36/889663236.db2.gz VOYAQMMBPRHOHF-MZADTFQBSA-N 2 1 396.531 3.998 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000644574078 913375093 /nfs/dbraw/zinc/37/50/93/913375093.db2.gz SBLCJWFAYOPJPY-YVHKJVDXSA-N 2 1 399.560 3.642 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)[C@H]1c1cccs1 ZINC000644574078 913375106 /nfs/dbraw/zinc/37/51/06/913375106.db2.gz SBLCJWFAYOPJPY-YVHKJVDXSA-N 2 1 399.560 3.642 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000063917635 889798438 /nfs/dbraw/zinc/79/84/38/889798438.db2.gz XNBSEHZZPMSHCP-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000063917635 889798449 /nfs/dbraw/zinc/79/84/49/889798449.db2.gz XNBSEHZZPMSHCP-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(-c3ccccc3Cl)cs2)C1 ZINC000774774995 913386918 /nfs/dbraw/zinc/38/69/18/913386918.db2.gz JNARTMQBWXROKM-INIZCTEOSA-N 2 1 394.928 3.571 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(-c3ccccc3Cl)cs2)C1 ZINC000774774995 913386940 /nfs/dbraw/zinc/38/69/40/913386940.db2.gz JNARTMQBWXROKM-INIZCTEOSA-N 2 1 394.928 3.571 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@H](C)c1ccccc1 ZINC000125001253 889843872 /nfs/dbraw/zinc/84/38/72/889843872.db2.gz QHLCSRGDCZCVTQ-VQTJNVASSA-N 2 1 395.547 3.629 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000465537039 890028175 /nfs/dbraw/zinc/02/81/75/890028175.db2.gz GHUGCLQTSVWMHP-LBVMUVSTSA-N 2 1 398.595 3.543 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000125728422 890102258 /nfs/dbraw/zinc/10/22/58/890102258.db2.gz XFUDNRIIXRVLSA-PKOBYXMFSA-N 2 1 379.976 3.787 20 0 GHADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CCCCC1 ZINC001168520749 890137479 /nfs/dbraw/zinc/13/74/79/890137479.db2.gz UMBWUARKAHOYDQ-HSZRJFAPSA-N 2 1 385.596 3.978 20 0 GHADMP O=C1NCCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1Cc1ccccc1 ZINC001170660806 890332749 /nfs/dbraw/zinc/33/27/49/890332749.db2.gz FWDFDSOPXPZEDR-XMMPIXPASA-N 2 1 391.559 3.606 20 0 GHADMP C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000455119295 890335712 /nfs/dbraw/zinc/33/57/12/890335712.db2.gz QTNPGSSRIOOFNN-NRFANRHFSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497232254 890390755 /nfs/dbraw/zinc/39/07/55/890390755.db2.gz UGWUTQLSUPFFAB-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000455444913 890973358 /nfs/dbraw/zinc/97/33/58/890973358.db2.gz KVOXPJOAUVOENW-VGFQSMBLSA-N 2 1 398.595 3.589 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000066568512 890990224 /nfs/dbraw/zinc/99/02/24/890990224.db2.gz XFZAOCLSECQTQD-QGZVFWFLSA-N 2 1 377.960 3.667 20 0 GHADMP CCOc1ccc(-c2nc(CO[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)co2)cc1 ZINC000871786145 891010217 /nfs/dbraw/zinc/01/02/17/891010217.db2.gz RYSRIKGVMBFJKN-ZNXRZULTSA-N 2 1 384.480 3.612 20 0 GHADMP CCOc1ccc(-c2nc(CO[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)co2)cc1 ZINC000871786145 891010233 /nfs/dbraw/zinc/01/02/33/891010233.db2.gz RYSRIKGVMBFJKN-ZNXRZULTSA-N 2 1 384.480 3.612 20 0 GHADMP C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000812841542 891029050 /nfs/dbraw/zinc/02/90/50/891029050.db2.gz ALAXXYHRBQWLEX-PMACEKPBSA-N 2 1 384.612 3.964 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC000246507374 891279638 /nfs/dbraw/zinc/27/96/38/891279638.db2.gz TVHSBHHSJRQEKO-FVJLSDCUSA-N 2 1 383.540 3.613 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC000246507374 891279650 /nfs/dbraw/zinc/27/96/50/891279650.db2.gz TVHSBHHSJRQEKO-FVJLSDCUSA-N 2 1 383.540 3.613 20 0 GHADMP CC[NH+](CC)CC(C)(C)COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000813151125 891341806 /nfs/dbraw/zinc/34/18/06/891341806.db2.gz XCRUEDOLKFFSKT-UHFFFAOYSA-N 2 1 380.439 3.730 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2)C1 ZINC000128118690 891425290 /nfs/dbraw/zinc/42/52/90/891425290.db2.gz NPYDENRILIQZLI-GOTSBHOMSA-N 2 1 379.548 3.538 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCSC5)C4)[C@H]3C2)cc1 ZINC000248398717 891430466 /nfs/dbraw/zinc/43/04/66/891430466.db2.gz JGNFUCXMGFATOQ-MFKCLSPESA-N 2 1 386.605 3.931 20 0 GHADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000262009449 892194827 /nfs/dbraw/zinc/19/48/27/892194827.db2.gz SSIYUXBWJMWIJE-UHFFFAOYSA-N 2 1 381.520 3.526 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000497735299 892288525 /nfs/dbraw/zinc/28/85/25/892288525.db2.gz GZBLGBVLBNPHKX-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(F)c(C)c1 ZINC000874925490 892377562 /nfs/dbraw/zinc/37/75/62/892377562.db2.gz KVVYOOKNEJFTRB-UHFFFAOYSA-N 2 1 375.532 3.683 20 0 GHADMP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508689353 892637553 /nfs/dbraw/zinc/63/75/53/892637553.db2.gz GFVGYEHUAINEHG-IEIRFRATSA-N 2 1 393.579 3.544 20 0 GHADMP C[C@H](NCc1cccnc1OCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714354 892792814 /nfs/dbraw/zinc/79/28/14/892792814.db2.gz HABRJOQURQJYNU-QFBILLFUSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H]([NH2+]Cc1cccnc1OCC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714354 892792821 /nfs/dbraw/zinc/79/28/21/892792821.db2.gz HABRJOQURQJYNU-QFBILLFUSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H]([NH2+]Cc1cccnc1OCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714354 892792830 /nfs/dbraw/zinc/79/28/30/892792830.db2.gz HABRJOQURQJYNU-QFBILLFUSA-N 2 1 375.463 3.726 20 0 GHADMP C[N@@H+]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000747953065 892924298 /nfs/dbraw/zinc/92/42/98/892924298.db2.gz GOBKWCGLOHEWPL-JOCHJYFZSA-N 2 1 386.584 3.731 20 0 GHADMP C[N@H+]1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000747953065 892924307 /nfs/dbraw/zinc/92/43/07/892924307.db2.gz GOBKWCGLOHEWPL-JOCHJYFZSA-N 2 1 386.584 3.731 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000645154167 913713371 /nfs/dbraw/zinc/71/33/71/913713371.db2.gz VFXAKKXPCNFYTR-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000645154167 913713383 /nfs/dbraw/zinc/71/33/83/913713383.db2.gz VFXAKKXPCNFYTR-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000645154167 913713389 /nfs/dbraw/zinc/71/33/89/913713389.db2.gz VFXAKKXPCNFYTR-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000498009707 892984998 /nfs/dbraw/zinc/98/49/98/892984998.db2.gz CJISDJTUZWPXOX-QZTJIDSGSA-N 2 1 385.474 3.563 20 0 GHADMP COc1cc(NCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1 ZINC000508723500 892989634 /nfs/dbraw/zinc/98/96/34/892989634.db2.gz XJYYCSDFUGGTQG-AZUAARDMSA-N 2 1 383.536 3.616 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498070326 893105397 /nfs/dbraw/zinc/10/53/97/893105397.db2.gz CILIZVHGFZSPQB-POAQFYNOSA-N 2 1 397.485 3.594 20 0 GHADMP C[N@@H+](CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O)Cc1ccccc1 ZINC000162762599 893160322 /nfs/dbraw/zinc/16/03/22/893160322.db2.gz KEINLJCVDDUNOG-UHFFFAOYSA-N 2 1 377.532 3.931 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(C2CC2)cn1 ZINC000933971619 893329238 /nfs/dbraw/zinc/32/92/38/893329238.db2.gz HOCCYWLQNOBKBQ-UHFFFAOYSA-N 2 1 399.583 3.619 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000563120148 893374643 /nfs/dbraw/zinc/37/46/43/893374643.db2.gz TXDIFAWDVFIZQN-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000876898950 893377577 /nfs/dbraw/zinc/37/75/77/893377577.db2.gz QUNKAKMLFNULAW-CDNPAEQRSA-N 2 1 396.531 3.695 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000876898950 893377595 /nfs/dbraw/zinc/37/75/95/893377595.db2.gz QUNKAKMLFNULAW-CDNPAEQRSA-N 2 1 396.531 3.695 20 0 GHADMP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000815126942 893459717 /nfs/dbraw/zinc/45/97/17/893459717.db2.gz TUZVBGHNICTSHP-QZTJIDSGSA-N 2 1 393.369 3.539 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cccc(O)c2Br)cc1 ZINC000459414364 893479162 /nfs/dbraw/zinc/47/91/62/893479162.db2.gz YSSZEYKFACUWIR-UHFFFAOYSA-N 2 1 393.325 3.775 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815107586 893481173 /nfs/dbraw/zinc/48/11/73/893481173.db2.gz RICJUUSDUYGETF-KRWDZBQOSA-N 2 1 389.765 3.728 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000815107586 893481181 /nfs/dbraw/zinc/48/11/81/893481181.db2.gz RICJUUSDUYGETF-KRWDZBQOSA-N 2 1 389.765 3.728 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000877137269 893505701 /nfs/dbraw/zinc/50/57/01/893505701.db2.gz RQJLTRNXQCDDHE-DZFGPLHGSA-N 2 1 378.520 3.947 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1([NH2+][C@H](C)c3ccccc3)CCCC1)CC2 ZINC000563243478 893521896 /nfs/dbraw/zinc/52/18/96/893521896.db2.gz QURVGKYAAWSWJX-YLJYHZDGSA-N 2 1 380.536 3.534 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459444013 893535265 /nfs/dbraw/zinc/53/52/65/893535265.db2.gz QKQPKVDCTOTURJ-IFMALSPDSA-N 3 1 378.564 3.941 20 0 GHADMP FC1(F)CCC(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000459462369 893575028 /nfs/dbraw/zinc/57/50/28/893575028.db2.gz LEJPRSPOQDKENQ-NRFANRHFSA-N 2 1 377.523 3.704 20 0 GHADMP C[N@H+](Cc1cccc(O)c1Br)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459472147 893612415 /nfs/dbraw/zinc/61/24/15/893612415.db2.gz ACPWIOIDHAQDJS-UHFFFAOYSA-N 2 1 390.325 3.898 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccc(C)c(F)c2)CC1)CC1CC1 ZINC000536737470 893699799 /nfs/dbraw/zinc/69/97/99/893699799.db2.gz HJCTWSZZOIJHFE-UHFFFAOYSA-N 2 1 389.559 3.584 20 0 GHADMP COCc1nc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459533475 893748958 /nfs/dbraw/zinc/74/89/58/893748958.db2.gz YCAACVVOMYVFOG-OAQYLSRUSA-N 2 1 398.551 3.873 20 0 GHADMP COCc1nc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459533475 893748968 /nfs/dbraw/zinc/74/89/68/893748968.db2.gz YCAACVVOMYVFOG-OAQYLSRUSA-N 2 1 398.551 3.873 20 0 GHADMP Fc1ccc(C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2COc3ccccc3O2)cc1 ZINC000459555294 893799766 /nfs/dbraw/zinc/79/97/66/893799766.db2.gz HABIEQSBVZQEFN-QPPBQGQZSA-N 2 1 396.506 3.793 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000536828154 893858071 /nfs/dbraw/zinc/85/80/71/893858071.db2.gz QCOJQTRQDQNOMU-IRFCIJBXSA-N 2 1 390.535 3.614 20 0 GHADMP Brc1csc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000563612041 893969301 /nfs/dbraw/zinc/96/93/01/893969301.db2.gz KTFDHEDRIJSNED-ZDUSSCGKSA-N 2 1 397.342 3.525 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000563621835 893983564 /nfs/dbraw/zinc/98/35/64/893983564.db2.gz BYNBFVQITQFVSU-BBTUJRGHSA-N 2 1 384.570 3.688 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000563621835 893983566 /nfs/dbraw/zinc/98/35/66/893983566.db2.gz BYNBFVQITQFVSU-BBTUJRGHSA-N 2 1 384.570 3.688 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NCc2cccs2)CC1)CC(C)C ZINC000536888046 894031207 /nfs/dbraw/zinc/03/12/07/894031207.db2.gz LILWIXJNWANTOL-GOSISDBHSA-N 2 1 379.614 3.833 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459743986 894168619 /nfs/dbraw/zinc/16/86/19/894168619.db2.gz XJLUHXANOPTQDT-CQSZACIVSA-N 2 1 385.346 3.678 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3c2cccc3Br)C[C@H](C)O1 ZINC000537016603 894195984 /nfs/dbraw/zinc/19/59/84/894195984.db2.gz PQQXCUFXLNMQGT-ZRGWGRIASA-N 2 1 381.358 3.915 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C2CC2)c1 ZINC000563972678 894387068 /nfs/dbraw/zinc/38/70/68/894387068.db2.gz QNZLMFMSGXXHCT-UKILVPOCSA-N 2 1 394.559 3.763 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816552107 894938691 /nfs/dbraw/zinc/93/86/91/894938691.db2.gz AWXIHEIZSDXPCL-BXWFABGCSA-N 2 1 393.597 3.976 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816552107 894938696 /nfs/dbraw/zinc/93/86/96/894938696.db2.gz AWXIHEIZSDXPCL-BXWFABGCSA-N 2 1 393.597 3.976 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCc4cccnc43)C3(C2)CCOCC3)cc1 ZINC000645490699 913933402 /nfs/dbraw/zinc/93/34/02/913933402.db2.gz MFAVYILPYUTSKQ-PKTZIBPZSA-N 2 1 391.559 3.977 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000564845353 895278926 /nfs/dbraw/zinc/27/89/26/895278926.db2.gz UHIYENYTXFMKQJ-RVFVQDDPSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000564845353 895278934 /nfs/dbraw/zinc/27/89/34/895278934.db2.gz UHIYENYTXFMKQJ-RVFVQDDPSA-N 2 1 394.559 3.678 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1)c1ccc(C)cc1 ZINC000564970697 895336540 /nfs/dbraw/zinc/33/65/40/895336540.db2.gz MUMBFHUDAQZCBW-RBUKOAKNSA-N 2 1 398.576 3.958 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1)c1ccc(C)cc1 ZINC000564970697 895336553 /nfs/dbraw/zinc/33/65/53/895336553.db2.gz MUMBFHUDAQZCBW-RBUKOAKNSA-N 2 1 398.576 3.958 20 0 GHADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000565095762 895386910 /nfs/dbraw/zinc/38/69/10/895386910.db2.gz QYSKTIHLOWIZSO-JOCHJYFZSA-N 2 1 398.938 3.595 20 0 GHADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000565095762 895386924 /nfs/dbraw/zinc/38/69/24/895386924.db2.gz QYSKTIHLOWIZSO-JOCHJYFZSA-N 2 1 398.938 3.595 20 0 GHADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000565304120 895520492 /nfs/dbraw/zinc/52/04/92/895520492.db2.gz BSKKZIPGSBSDHW-SFHVURJKSA-N 2 1 399.501 3.810 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170862455 895523379 /nfs/dbraw/zinc/52/33/79/895523379.db2.gz KPNKFTFXKMDWHI-SFHVURJKSA-N 3 1 396.417 3.782 20 0 GHADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132890 895532031 /nfs/dbraw/zinc/53/20/31/895532031.db2.gz GYSHXFCEYQWYEZ-KNKQGSTJSA-N 2 1 383.561 3.512 20 0 GHADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000880132890 895532041 /nfs/dbraw/zinc/53/20/41/895532041.db2.gz GYSHXFCEYQWYEZ-KNKQGSTJSA-N 2 1 383.561 3.512 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000565555680 895719342 /nfs/dbraw/zinc/71/93/42/895719342.db2.gz URXLENTWXLOYEP-OAQYLSRUSA-N 2 1 393.575 3.811 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1sccc1Br ZINC000565563797 895725071 /nfs/dbraw/zinc/72/50/71/895725071.db2.gz WIJPNVIYFOVUIB-GFCCVEGCSA-N 2 1 384.343 3.697 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)CCc3ccccc3)CC2)CC1 ZINC000565606153 895755153 /nfs/dbraw/zinc/75/51/53/895755153.db2.gz GNHCQGJJXUIQTF-UHFFFAOYSA-N 2 1 385.596 3.710 20 0 GHADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000565780507 895872037 /nfs/dbraw/zinc/87/20/37/895872037.db2.gz YQIHTLBIDRDFNS-WOJBJXKFSA-N 2 1 377.315 3.729 20 0 GHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897499 895952491 /nfs/dbraw/zinc/95/24/91/895952491.db2.gz RAKKXNRRERFPMP-UPVQGACJSA-N 3 1 383.580 3.877 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CCCCC1 ZINC001136147114 896175473 /nfs/dbraw/zinc/17/54/73/896175473.db2.gz RIIGQRYLWFBCBI-PKTZIBPZSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818985142 896304426 /nfs/dbraw/zinc/30/44/26/896304426.db2.gz PDHDZTJTYONMQZ-KDOFPFPSSA-N 2 1 387.337 3.506 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(CC(C)(C)C)cs3)CC2)CC1 ZINC000566450278 896320348 /nfs/dbraw/zinc/32/03/48/896320348.db2.gz DVLTUFBRNSESCP-UHFFFAOYSA-N 2 1 392.613 3.867 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)c2)cc1 ZINC000566556780 896375974 /nfs/dbraw/zinc/37/59/74/896375974.db2.gz BLDLQGCYLRDBNJ-GOSISDBHSA-N 2 1 393.531 3.912 20 0 GHADMP Cc1cc(N2CCC([NH2+]C[C@H](O)c3cccc4ccccc43)CC2)nc(C)[nH+]1 ZINC000819137123 896394773 /nfs/dbraw/zinc/39/47/73/896394773.db2.gz VSRAGJUROPNJIZ-QFIPXVFZSA-N 2 1 376.504 3.539 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778552862 896568447 /nfs/dbraw/zinc/56/84/47/896568447.db2.gz KSVPWXAOZKKVCN-LQBOVUBWSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778552862 896568464 /nfs/dbraw/zinc/56/84/64/896568464.db2.gz KSVPWXAOZKKVCN-LQBOVUBWSA-N 2 1 397.950 3.946 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccsc3)CC2)CC1 ZINC000566923510 896700319 /nfs/dbraw/zinc/70/03/19/896700319.db2.gz INJZPYBRDPVXJZ-HXUWFJFHSA-N 2 1 375.582 3.608 20 0 GHADMP CC(C)C[C@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000567135382 896901839 /nfs/dbraw/zinc/90/18/39/896901839.db2.gz NQPKOENNMDVTQA-UYAOXDASSA-N 2 1 397.567 3.784 20 0 GHADMP CCCOc1ccc(Br)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567589172 897275762 /nfs/dbraw/zinc/27/57/62/897275762.db2.gz ZDEZCFWTOBTPRK-MJGOQNOKSA-N 2 1 397.357 3.566 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC000883216315 897379405 /nfs/dbraw/zinc/37/94/05/897379405.db2.gz OFVGUYGRWFYKFU-ZEQRLZLVSA-N 2 1 398.522 3.650 20 0 GHADMP [NH3+][C@H](CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CC1CCCCC1 ZINC000567801955 897408264 /nfs/dbraw/zinc/40/82/64/897408264.db2.gz HVRILLDPBAIMDZ-DHIUTWEWSA-N 2 1 385.596 3.745 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000567870685 897464040 /nfs/dbraw/zinc/46/40/40/897464040.db2.gz JDEWHKHNIMHUTO-DLBZAZTESA-N 2 1 386.458 3.848 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809134 897538109 /nfs/dbraw/zinc/53/81/09/897538109.db2.gz UVBJMBFUMIXLOM-PMACEKPBSA-N 3 1 381.564 3.820 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809134 897538119 /nfs/dbraw/zinc/53/81/19/897538119.db2.gz UVBJMBFUMIXLOM-PMACEKPBSA-N 3 1 381.564 3.820 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC001136397980 897641168 /nfs/dbraw/zinc/64/11/68/897641168.db2.gz UIGXYPTZECMBNQ-IBGZPJMESA-N 2 1 389.584 3.648 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)Cc3ccc(C)cc3)CC2)CC1 ZINC000568199564 897667408 /nfs/dbraw/zinc/66/74/08/897667408.db2.gz BVYGIKCVCHQOKV-FQEVSTJZSA-N 2 1 385.596 3.581 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000568526846 897913160 /nfs/dbraw/zinc/91/31/60/897913160.db2.gz KODLNFAPJSQVEW-KJNZLNQQSA-N 2 1 391.987 3.517 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000821987592 898156086 /nfs/dbraw/zinc/15/60/86/898156086.db2.gz FLTAMLJWGBKPAM-GOSISDBHSA-N 2 1 379.932 3.624 20 0 GHADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000569106303 898345821 /nfs/dbraw/zinc/34/58/21/898345821.db2.gz UIOLYHKQNPOQAF-DENIHFKCSA-N 2 1 386.561 3.528 20 0 GHADMP C[C@@H]([NH3+])CCc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000822956300 898754816 /nfs/dbraw/zinc/75/48/16/898754816.db2.gz IQOPARLERMOJER-QGZVFWFLSA-N 2 1 392.503 3.516 20 0 GHADMP C[N@H+]1CCCN(c2ccc(-c3noc(-c4cccc(C[NH3+])c4)n3)cc2Cl)CC1 ZINC000822976667 898769719 /nfs/dbraw/zinc/76/97/19/898769719.db2.gz HLMXTKOKRGTPHV-UHFFFAOYSA-N 2 1 397.910 3.658 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001136660242 898817483 /nfs/dbraw/zinc/81/74/83/898817483.db2.gz IILYPIDURDFHBJ-HSZRJFAPSA-N 2 1 385.596 3.837 20 0 GHADMP CC(C)CCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000569625336 898834116 /nfs/dbraw/zinc/83/41/16/898834116.db2.gz GSNSQCXYCQSFNM-AIZNXBIQSA-N 2 1 385.596 3.854 20 0 GHADMP CC(C)CCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000569625336 898834127 /nfs/dbraw/zinc/83/41/27/898834127.db2.gz GSNSQCXYCQSFNM-AIZNXBIQSA-N 2 1 385.596 3.854 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001136686644 898901398 /nfs/dbraw/zinc/90/13/98/898901398.db2.gz LFPLNZPHMRPLMD-IBGZPJMESA-N 2 1 377.960 3.541 20 0 GHADMP C[N@@H+](CC(c1ccccc1)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646197011 914316289 /nfs/dbraw/zinc/31/62/89/914316289.db2.gz JTSUDQKJPQRTDJ-XMMPIXPASA-N 2 1 377.576 3.919 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000823742127 899214191 /nfs/dbraw/zinc/21/41/91/899214191.db2.gz JTWXPDYBEGFQNO-WOJBJXKFSA-N 2 1 384.524 3.922 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC000823965924 899317615 /nfs/dbraw/zinc/31/76/15/899317615.db2.gz DEFIIBFTDQLNSY-UMCMBGNQSA-N 2 1 399.579 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC000823965924 899317630 /nfs/dbraw/zinc/31/76/30/899317630.db2.gz DEFIIBFTDQLNSY-UMCMBGNQSA-N 2 1 399.579 3.886 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761645 899567516 /nfs/dbraw/zinc/56/75/16/899567516.db2.gz CCSQZHLFJAFPAD-WMZOPIPTSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761645 899567527 /nfs/dbraw/zinc/56/75/27/899567527.db2.gz CCSQZHLFJAFPAD-WMZOPIPTSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000570761645 899567536 /nfs/dbraw/zinc/56/75/36/899567536.db2.gz CCSQZHLFJAFPAD-WMZOPIPTSA-N 2 1 378.442 3.807 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cn3ccccc3n1)CC2 ZINC001136878418 899608526 /nfs/dbraw/zinc/60/85/26/899608526.db2.gz XNPMMULTPJQMJR-LJQANCHMSA-N 2 1 396.560 3.651 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000570865186 899650347 /nfs/dbraw/zinc/65/03/47/899650347.db2.gz SYALRXVUYUSFNY-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532251 899662947 /nfs/dbraw/zinc/66/29/47/899662947.db2.gz TUVGBXWXQLLUSS-BXWFABGCSA-N 2 1 394.498 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824548662 899682077 /nfs/dbraw/zinc/68/20/77/899682077.db2.gz YWLLYPINLVTTOD-DLBZAZTESA-N 2 1 376.508 3.743 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824546741 899704039 /nfs/dbraw/zinc/70/40/39/899704039.db2.gz KTPVPICTEHBMKE-CKJXQJPGSA-N 2 1 376.508 3.667 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824546741 899704048 /nfs/dbraw/zinc/70/40/48/899704048.db2.gz KTPVPICTEHBMKE-CKJXQJPGSA-N 2 1 376.508 3.667 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824625723 899747263 /nfs/dbraw/zinc/74/72/63/899747263.db2.gz JHSPTFWRBXTRES-HNNXBMFYSA-N 2 1 382.487 3.697 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1Cl ZINC001143365078 900226297 /nfs/dbraw/zinc/22/62/97/900226297.db2.gz JMHSHJQRHHEMRC-UHFFFAOYSA-N 2 1 384.923 3.812 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccc(C(C)C)cc3)CC2)CC1 ZINC000573017260 900343932 /nfs/dbraw/zinc/34/39/32/900343932.db2.gz AEGDIUOKNPTWDF-UHFFFAOYSA-N 2 1 385.596 3.665 20 0 GHADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000573143385 900390459 /nfs/dbraw/zinc/39/04/59/900390459.db2.gz IBHMVWQTOKBIOQ-RUZDIDTESA-N 2 1 395.591 3.842 20 0 GHADMP COc1c(F)cc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1Cl ZINC001143844924 900587211 /nfs/dbraw/zinc/58/72/11/900587211.db2.gz OKWJWVWKUATBGF-MSOLQXFVSA-N 2 1 389.902 3.837 20 0 GHADMP COc1c(F)cc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc1Cl ZINC001143844924 900587216 /nfs/dbraw/zinc/58/72/16/900587216.db2.gz OKWJWVWKUATBGF-MSOLQXFVSA-N 2 1 389.902 3.837 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C3(CCC3)C2)cc1 ZINC000886164932 900853285 /nfs/dbraw/zinc/85/32/85/900853285.db2.gz YEVDOFLXIBDJME-VXKWHMMOSA-N 2 1 384.564 3.607 20 0 GHADMP C[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000574601639 900941079 /nfs/dbraw/zinc/94/10/79/900941079.db2.gz GBIYMWRWZBPJFW-NFBKMPQASA-N 2 1 396.579 3.555 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCc3ccc4c[nH+]cn4c3)cc2)C1 ZINC000574772903 901006717 /nfs/dbraw/zinc/00/67/17/901006717.db2.gz HJXSPFSVELYTQZ-GOSISDBHSA-N 2 1 391.519 3.566 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001144099662 901064198 /nfs/dbraw/zinc/06/41/98/901064198.db2.gz ZMIDWCYIQQVNDX-HXUWFJFHSA-N 2 1 383.540 3.608 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001144099662 901064215 /nfs/dbraw/zinc/06/42/15/901064215.db2.gz ZMIDWCYIQQVNDX-HXUWFJFHSA-N 2 1 383.540 3.608 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC000886596397 901182565 /nfs/dbraw/zinc/18/25/65/901182565.db2.gz DNEIPMHOEGUOQJ-FHWLQOOXSA-N 2 1 399.560 3.505 20 0 GHADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)CC2 ZINC000886598755 901183985 /nfs/dbraw/zinc/18/39/85/901183985.db2.gz JJIGWESRWOLPKZ-UDIDDNNKSA-N 2 1 378.564 3.964 20 0 GHADMP C[N@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000282968031 901336780 /nfs/dbraw/zinc/33/67/80/901336780.db2.gz CQBRUUQLEKBFKP-JOCHJYFZSA-N 2 1 391.559 3.745 20 0 GHADMP C[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000282968031 901336788 /nfs/dbraw/zinc/33/67/88/901336788.db2.gz CQBRUUQLEKBFKP-JOCHJYFZSA-N 2 1 391.559 3.745 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCN(c4ccccn4)CC3)CC23CC3)cc1 ZINC000575987893 901557903 /nfs/dbraw/zinc/55/79/03/901557903.db2.gz PQNUCHYTITYHNE-JOCHJYFZSA-N 2 1 376.548 3.837 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCN(c4ccccn4)CC3)CC23CC3)cc1 ZINC000575987893 901557914 /nfs/dbraw/zinc/55/79/14/901557914.db2.gz PQNUCHYTITYHNE-JOCHJYFZSA-N 2 1 376.548 3.837 20 0 GHADMP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576512399 902069341 /nfs/dbraw/zinc/06/93/41/902069341.db2.gz TZRFWTUSEXBFOE-VXKWHMMOSA-N 2 1 382.548 3.661 20 0 GHADMP Clc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)nn2)cc1Cl ZINC000576703056 902202915 /nfs/dbraw/zinc/20/29/15/902202915.db2.gz KYYNWAYCQBHANS-SFHVURJKSA-N 2 1 380.323 3.538 20 0 GHADMP Brc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000576875123 902326114 /nfs/dbraw/zinc/32/61/14/902326114.db2.gz MLPQRLUSCZLUQV-HZPDHXFCSA-N 2 1 390.325 3.926 20 0 GHADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000577098234 902500258 /nfs/dbraw/zinc/50/02/58/902500258.db2.gz XKOJTIPMOJQRKQ-AWEZNQCLSA-N 2 1 376.570 3.935 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ncn5ccccc45)CC3)C2)cc1 ZINC001144619332 902513582 /nfs/dbraw/zinc/51/35/82/902513582.db2.gz YLUPJWUSOLZBTC-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128465843 902670265 /nfs/dbraw/zinc/67/02/65/902670265.db2.gz NKQRNLKOIASPRW-SFHVURJKSA-N 2 1 386.609 3.721 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000779014925 902867095 /nfs/dbraw/zinc/86/70/95/902867095.db2.gz RKENETOHJGKUPY-RDJZCZTQSA-N 2 1 388.556 3.550 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000600845672 902996874 /nfs/dbraw/zinc/99/68/74/902996874.db2.gz IOSHIFIAOMIBHC-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000600845672 902996884 /nfs/dbraw/zinc/99/68/84/902996884.db2.gz IOSHIFIAOMIBHC-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000600845672 902996893 /nfs/dbraw/zinc/99/68/93/902996893.db2.gz IOSHIFIAOMIBHC-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC001144940829 903206446 /nfs/dbraw/zinc/20/64/46/903206446.db2.gz ABUAPPLNGQLDIX-JOCHJYFZSA-N 2 1 395.547 3.968 20 0 GHADMP O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000646602957 914711206 /nfs/dbraw/zinc/71/12/06/914711206.db2.gz MIMOJBDDTFIXOE-XMMPIXPASA-N 2 1 391.559 3.601 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)[C@@H](C)C1 ZINC000779075933 903941814 /nfs/dbraw/zinc/94/18/14/903941814.db2.gz LOJCNMMFNJZRKT-ZGXWSNOMSA-N 2 1 397.604 3.501 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000646682410 914771158 /nfs/dbraw/zinc/77/11/58/914771158.db2.gz XNYRZYZLWZXOOJ-QZTJIDSGSA-N 2 1 396.579 3.644 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000646682410 914771169 /nfs/dbraw/zinc/77/11/69/914771169.db2.gz XNYRZYZLWZXOOJ-QZTJIDSGSA-N 2 1 396.579 3.644 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(OC)c(O)c3)CC2)cs1 ZINC000578684762 904050885 /nfs/dbraw/zinc/05/08/85/904050885.db2.gz UTRPMCMSDCZLQV-OAHLLOKOSA-N 2 1 389.565 3.983 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000578759683 904103939 /nfs/dbraw/zinc/10/39/39/904103939.db2.gz CXYXIAOJOVSIKY-NHYNNZIHSA-N 2 1 394.559 3.828 20 0 GHADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000578920027 904224910 /nfs/dbraw/zinc/22/49/10/904224910.db2.gz RVEFEQROXZJXHU-WIYYLYMNSA-N 2 1 398.547 3.755 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000773005377 904357646 /nfs/dbraw/zinc/35/76/46/904357646.db2.gz IWBMFMOTWYGBLJ-GCJKJVERSA-N 2 1 381.520 3.908 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000773005377 904357658 /nfs/dbraw/zinc/35/76/58/904357658.db2.gz IWBMFMOTWYGBLJ-GCJKJVERSA-N 2 1 381.520 3.908 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[NH+](CC)CC)cc1 ZINC000579187806 904409078 /nfs/dbraw/zinc/40/90/78/904409078.db2.gz LZXPDAOIXFBBSA-UNMCSNQZSA-N 2 1 388.600 3.661 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[NH+](CC)CC)cc1 ZINC000579187803 904409163 /nfs/dbraw/zinc/40/91/63/904409163.db2.gz LZXPDAOIXFBBSA-IFMALSPDSA-N 2 1 388.600 3.661 20 0 GHADMP CCCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000889489719 904602138 /nfs/dbraw/zinc/60/21/38/904602138.db2.gz VQXVFPJPOKJNSK-NRFANRHFSA-N 2 1 394.563 3.657 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171546722 904789078 /nfs/dbraw/zinc/78/90/78/904789078.db2.gz LAGFABSXNSQHKO-MRXNPFEDSA-N 2 1 375.438 3.923 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CCc4c(C)cccc4C3)CC2)CC1 ZINC001171565095 904829899 /nfs/dbraw/zinc/82/98/99/904829899.db2.gz LBOFXOXGZDKYGP-JOCHJYFZSA-N 2 1 384.564 3.592 20 0 GHADMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)CC1(C)C ZINC001171629475 904851110 /nfs/dbraw/zinc/85/11/10/904851110.db2.gz SKPWVYKIVMRZNL-UHFFFAOYSA-N 2 1 384.490 3.874 20 0 GHADMP Cc1ccc(CC[C@H](C)[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1 ZINC001171672120 904913983 /nfs/dbraw/zinc/91/39/83/904913983.db2.gz QBRYAZADYUCEBZ-FQEVSTJZSA-N 2 1 396.579 3.619 20 0 GHADMP Cc1ccc(CC[C@H](C)[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001171672120 904913995 /nfs/dbraw/zinc/91/39/95/904913995.db2.gz QBRYAZADYUCEBZ-FQEVSTJZSA-N 2 1 396.579 3.619 20 0 GHADMP Cc1ccc(CC[C@H](C)[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001171672120 904914005 /nfs/dbraw/zinc/91/40/05/904914005.db2.gz QBRYAZADYUCEBZ-FQEVSTJZSA-N 2 1 396.579 3.619 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1(C)C ZINC001171638116 904927961 /nfs/dbraw/zinc/92/79/61/904927961.db2.gz RVXDBDSVKNSSJT-NQIIRXRSSA-N 2 1 389.559 3.614 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171737055 905021104 /nfs/dbraw/zinc/02/11/04/905021104.db2.gz AMZUVNNDCKOGSS-HCUBDLJJSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171737055 905021125 /nfs/dbraw/zinc/02/11/25/905021125.db2.gz AMZUVNNDCKOGSS-HCUBDLJJSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171737055 905021143 /nfs/dbraw/zinc/02/11/43/905021143.db2.gz AMZUVNNDCKOGSS-HCUBDLJJSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171740202 905026532 /nfs/dbraw/zinc/02/65/32/905026532.db2.gz IIOYKPYEEFGQFF-ZNEWLNCYSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171740202 905026551 /nfs/dbraw/zinc/02/65/51/905026551.db2.gz IIOYKPYEEFGQFF-ZNEWLNCYSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171740202 905026568 /nfs/dbraw/zinc/02/65/68/905026568.db2.gz IIOYKPYEEFGQFF-ZNEWLNCYSA-N 2 1 378.564 3.817 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171739992 905027420 /nfs/dbraw/zinc/02/74/20/905027420.db2.gz ROAUMDTVEAZQIH-CTNGQTDRSA-N 2 1 379.548 3.608 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171962111 905169505 /nfs/dbraw/zinc/16/95/05/905169505.db2.gz BLJGMPIQADHBPI-PKTZIBPZSA-N 2 1 391.559 3.820 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626598510 905172609 /nfs/dbraw/zinc/17/26/09/905172609.db2.gz XWTVJIPIFVCULG-XZOQPEGZSA-N 2 1 391.559 3.887 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cccn3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975084 905220881 /nfs/dbraw/zinc/22/08/81/905220881.db2.gz KUQUEKWJLVWESU-NRFANRHFSA-N 2 1 375.520 3.800 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(-n3cccn3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001171975084 905220901 /nfs/dbraw/zinc/22/09/01/905220901.db2.gz KUQUEKWJLVWESU-NRFANRHFSA-N 2 1 375.520 3.800 20 0 GHADMP CC(C)(C)[C@@H](CN1C(=O)CCC1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974974 905221541 /nfs/dbraw/zinc/22/15/41/905221541.db2.gz BKCYRVLTRMVYMN-WOJBJXKFSA-N 2 1 399.579 3.583 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CCN(c3ccncn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978549 905226031 /nfs/dbraw/zinc/22/60/31/905226031.db2.gz HSTLLXFCSHZNHJ-JOCHJYFZSA-N 2 1 393.579 3.726 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980427 905231107 /nfs/dbraw/zinc/23/11/07/905231107.db2.gz QOKZEAQZFOQLRF-HSZRJFAPSA-N 3 1 399.623 3.910 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCN1Cc1ccccc1 ZINC001171980427 905231118 /nfs/dbraw/zinc/23/11/18/905231118.db2.gz QOKZEAQZFOQLRF-HSZRJFAPSA-N 2 1 399.623 3.910 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCCC[C@@H]2C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171984810 905241594 /nfs/dbraw/zinc/24/15/94/905241594.db2.gz PEQCGCCCNNAVGT-FCHUYYIVSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCCC[C@@H]2C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171984810 905241607 /nfs/dbraw/zinc/24/16/07/905241607.db2.gz PEQCGCCCNNAVGT-FCHUYYIVSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001171984810 905241624 /nfs/dbraw/zinc/24/16/24/905241624.db2.gz PEQCGCCCNNAVGT-FCHUYYIVSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001171984810 905241634 /nfs/dbraw/zinc/24/16/34/905241634.db2.gz PEQCGCCCNNAVGT-FCHUYYIVSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(NC(=O)N3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171986637 905245227 /nfs/dbraw/zinc/24/52/27/905245227.db2.gz JWHBJJMLUFLIQA-QFIPXVFZSA-N 2 1 398.595 3.699 20 0 GHADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC001172061124 905265355 /nfs/dbraw/zinc/26/53/55/905265355.db2.gz FRJFVCPDKXQIRQ-BJESRGMDSA-N 2 1 380.532 3.602 20 0 GHADMP CCO[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001172072753 905275958 /nfs/dbraw/zinc/27/59/58/905275958.db2.gz QBRKHWHPCYRLGC-DAMRUUDFSA-N 2 1 384.564 3.840 20 0 GHADMP CCO[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001172072753 905275972 /nfs/dbraw/zinc/27/59/72/905275972.db2.gz QBRKHWHPCYRLGC-DAMRUUDFSA-N 2 1 384.564 3.840 20 0 GHADMP CCO[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001172072753 905275989 /nfs/dbraw/zinc/27/59/89/905275989.db2.gz QBRKHWHPCYRLGC-DAMRUUDFSA-N 2 1 384.564 3.840 20 0 GHADMP CCO[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC001172072753 905276008 /nfs/dbraw/zinc/27/60/08/905276008.db2.gz QBRKHWHPCYRLGC-DAMRUUDFSA-N 2 1 384.564 3.840 20 0 GHADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075003 905285350 /nfs/dbraw/zinc/28/53/50/905285350.db2.gz NHAAEBUPJBZCNJ-WOZUAGRISA-N 2 1 377.536 3.545 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084756 905298274 /nfs/dbraw/zinc/29/82/74/905298274.db2.gz DFWGYFSAZYCPQD-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000174599960 905308029 /nfs/dbraw/zinc/30/80/29/905308029.db2.gz SKPZZAJMILBHTO-SEJPIABJSA-N 2 1 381.520 3.774 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000174599960 905308048 /nfs/dbraw/zinc/30/80/48/905308048.db2.gz SKPZZAJMILBHTO-SEJPIABJSA-N 2 1 381.520 3.774 20 0 GHADMP CCC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172065934 905332084 /nfs/dbraw/zinc/33/20/84/905332084.db2.gz BTWKELXLIHWHNJ-GOAPXITPSA-N 2 1 383.580 3.999 20 0 GHADMP OC[C@]1(C(F)(F)F)CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172069015 905337388 /nfs/dbraw/zinc/33/73/88/905337388.db2.gz NFNBDKUBIWSMHE-NMLBUPMWSA-N 2 1 382.470 3.819 20 0 GHADMP OC[C@]1(C(F)(F)F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172069015 905337416 /nfs/dbraw/zinc/33/74/16/905337416.db2.gz NFNBDKUBIWSMHE-NMLBUPMWSA-N 2 1 382.470 3.819 20 0 GHADMP OC[C@]1(C(F)(F)F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172069015 905337428 /nfs/dbraw/zinc/33/74/28/905337428.db2.gz NFNBDKUBIWSMHE-NMLBUPMWSA-N 2 1 382.470 3.819 20 0 GHADMP OC1(C(F)(F)F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172068991 905337725 /nfs/dbraw/zinc/33/77/25/905337725.db2.gz MRUAMHXMYLUNSG-BWTSREIZSA-N 2 1 382.470 3.961 20 0 GHADMP OC1(C(F)(F)F)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172068991 905337743 /nfs/dbraw/zinc/33/77/43/905337743.db2.gz MRUAMHXMYLUNSG-BWTSREIZSA-N 2 1 382.470 3.961 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172105661 905354113 /nfs/dbraw/zinc/35/41/13/905354113.db2.gz JZEBPYMYDZEVHQ-PMOLBWCYSA-N 2 1 377.573 3.866 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCc1ccc(CNC(=O)OC(C)(C)C)cc1)C2 ZINC001172108940 905355300 /nfs/dbraw/zinc/35/53/00/905355300.db2.gz FVWOTIYSLUKQQO-MZADTFQBSA-N 2 1 387.568 3.859 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001172113934 905363751 /nfs/dbraw/zinc/36/37/51/905363751.db2.gz KXGXNUJGSYPROZ-REPLKXPHSA-N 2 1 381.486 3.971 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C1)C2 ZINC001172122322 905381387 /nfs/dbraw/zinc/38/13/87/905381387.db2.gz PBZQATNTCCOIQP-BVAFDOMYSA-N 2 1 376.585 3.832 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C1)C2 ZINC001172122322 905381404 /nfs/dbraw/zinc/38/14/04/905381404.db2.gz PBZQATNTCCOIQP-BVAFDOMYSA-N 2 1 376.585 3.832 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C1)C2 ZINC001172122322 905381424 /nfs/dbraw/zinc/38/14/24/905381424.db2.gz PBZQATNTCCOIQP-BVAFDOMYSA-N 2 1 376.585 3.832 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001172338439 905505401 /nfs/dbraw/zinc/50/54/01/905505401.db2.gz OFOCYETZEQYFCC-SFTDATJTSA-N 2 1 389.584 3.590 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001172361553 905528456 /nfs/dbraw/zinc/52/84/56/905528456.db2.gz NZRBQWOUVDFIRM-MSOLQXFVSA-N 2 1 376.541 3.621 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172467661 905578845 /nfs/dbraw/zinc/57/88/45/905578845.db2.gz SJIRHNVSAUGKTF-VQTJNVASSA-N 2 1 378.557 3.786 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172529083 905590098 /nfs/dbraw/zinc/59/00/98/905590098.db2.gz VFOHBVRYMFAXNC-RJGXRXQPSA-N 2 1 383.580 3.735 20 0 GHADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCC[C@@H](c3ccccc3)C1)CC2 ZINC001172542123 905645184 /nfs/dbraw/zinc/64/51/84/905645184.db2.gz SUWXRXPXRZISEL-PKTZIBPZSA-N 2 1 393.575 3.537 20 0 GHADMP c1ccc([C@@H]2CCC[C@@H]([N@H+]3CCc4nnc(CN5CCCCC5)n4CC3)C2)cc1 ZINC001172544307 905649358 /nfs/dbraw/zinc/64/93/58/905649358.db2.gz SQEMDLPGEGCNQH-FGZHOGPDSA-N 2 1 393.579 3.849 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172584372 905684342 /nfs/dbraw/zinc/68/43/42/905684342.db2.gz NGNXXLFXFWMQLB-AEFFLSMTSA-N 2 1 379.520 3.902 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172668525 905753857 /nfs/dbraw/zinc/75/38/57/905753857.db2.gz ZXGQPUNWUJAQOK-WXFUMESZSA-N 2 1 391.559 3.950 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173001532 906076872 /nfs/dbraw/zinc/07/68/72/906076872.db2.gz LYZMAIPJZVJCJQ-NRFANRHFSA-N 2 1 387.543 3.771 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)CC1 ZINC001173111524 906198898 /nfs/dbraw/zinc/19/88/98/906198898.db2.gz ZEKKMSCWBBEXHP-DXEGLPQDSA-N 2 1 387.568 3.735 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H](C(=O)OC)[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001173114031 906202212 /nfs/dbraw/zinc/20/22/12/906202212.db2.gz SWQKDFXBXFEWEY-VFUGHAIPSA-N 2 1 376.516 3.667 20 0 GHADMP COc1ccccc1C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1COc2cccc(OC)c2C1 ZINC001173161174 906246029 /nfs/dbraw/zinc/24/60/29/906246029.db2.gz PNALMFAWEDIBGR-VAMGGRTRSA-N 2 1 396.531 3.779 20 0 GHADMP CC(C)[N@H+](C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173415265 906444357 /nfs/dbraw/zinc/44/43/57/906444357.db2.gz VBLNVTDUZLZEIP-WGSAOQKQSA-N 2 1 377.960 3.925 20 0 GHADMP COC(=O)CCCC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173442311 906454952 /nfs/dbraw/zinc/45/49/52/906454952.db2.gz CXHSGHOZIKDUED-IHPCNDPISA-N 2 1 376.541 3.889 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(-c2ccsc2)n1 ZINC000179397007 906491577 /nfs/dbraw/zinc/49/15/77/906491577.db2.gz ABGLLIWKLFKGNO-UHFFFAOYSA-N 2 1 383.521 3.932 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1noc(-c2ccsc2)n1 ZINC000179397007 906491587 /nfs/dbraw/zinc/49/15/87/906491587.db2.gz ABGLLIWKLFKGNO-UHFFFAOYSA-N 2 1 383.521 3.932 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634129 906585862 /nfs/dbraw/zinc/58/58/62/906585862.db2.gz OPZMXCVFFPFDEV-ZIBCJSCZSA-N 2 1 388.552 3.889 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+]C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173686613 906644204 /nfs/dbraw/zinc/64/42/04/906644204.db2.gz SYSMOBBOYJFGFE-LXYWVVSTSA-N 2 1 399.579 3.740 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001173709623 906660034 /nfs/dbraw/zinc/66/00/34/906660034.db2.gz PDTGZTOKMXDJFK-PVERMEFCSA-N 2 1 392.543 3.904 20 0 GHADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c(C)c1 ZINC000180740927 906833695 /nfs/dbraw/zinc/83/36/95/906833695.db2.gz LVURZYXROFLEJE-FQEVSTJZSA-N 2 1 387.568 3.645 20 0 GHADMP Clc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629581298 906877278 /nfs/dbraw/zinc/87/72/78/906877278.db2.gz VCGORBCTVXREDZ-BBRMVZONSA-N 2 1 385.733 3.760 20 0 GHADMP Clc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629581298 906877291 /nfs/dbraw/zinc/87/72/91/906877291.db2.gz VCGORBCTVXREDZ-BBRMVZONSA-N 2 1 385.733 3.760 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]([NH3+])c1ccccc1 ZINC000629603082 906896046 /nfs/dbraw/zinc/89/60/46/906896046.db2.gz ZWNLMCKBOOMZAT-FDDCHVKYSA-N 2 1 391.515 3.864 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]([NH3+])c1ccccc1 ZINC000629603082 906896055 /nfs/dbraw/zinc/89/60/55/906896055.db2.gz ZWNLMCKBOOMZAT-FDDCHVKYSA-N 2 1 391.515 3.864 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655852 906933312 /nfs/dbraw/zinc/93/33/12/906933312.db2.gz LIEJRNCQFHZBLX-ZWKOTPCHSA-N 2 1 379.426 3.716 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629655852 906933323 /nfs/dbraw/zinc/93/33/23/906933323.db2.gz LIEJRNCQFHZBLX-ZWKOTPCHSA-N 2 1 379.426 3.716 20 0 GHADMP C[C@H](NC(=O)c1oc2ccccc2c1C[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630609 907042376 /nfs/dbraw/zinc/04/23/76/907042376.db2.gz YDTHIMZMYOIGTH-IRXDYDNUSA-N 2 1 383.536 3.877 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)C1CCS(=O)(=O)CC1 ZINC000187039534 908025210 /nfs/dbraw/zinc/02/52/10/908025210.db2.gz HWXOZTAXYNCYRV-SFHVURJKSA-N 2 1 392.609 3.754 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)c(Cl)cc1O ZINC000193059066 908067302 /nfs/dbraw/zinc/06/73/02/908067302.db2.gz DVTGEIZVDZYYLX-GFCCVEGCSA-N 2 1 384.307 3.885 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366220084 921387182 /nfs/dbraw/zinc/38/71/82/921387182.db2.gz COEGUVYXEQCOPF-PFATUAPWSA-N 2 1 392.591 3.794 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001177294946 908499247 /nfs/dbraw/zinc/49/92/47/908499247.db2.gz TXJCMJYEVCMPPB-XMMPIXPASA-N 2 1 386.628 3.819 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(N(C)C(C)C)nc3)CC2)oc1C ZINC000191010837 908557572 /nfs/dbraw/zinc/55/75/72/908557572.db2.gz WVTJYXPSAVSNEI-UHFFFAOYSA-N 2 1 385.556 3.533 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCS2 ZINC000191522529 908637357 /nfs/dbraw/zinc/63/73/57/908637357.db2.gz RERDOFRXYPYBRS-LJQANCHMSA-N 2 1 384.549 3.898 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCS2 ZINC000191535097 908639204 /nfs/dbraw/zinc/63/92/04/908639204.db2.gz HJIKSFYZDKAHAD-AQNXPRMDSA-N 2 1 376.566 3.590 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(C(F)F)c(F)c3)c2)CC1 ZINC001177637821 908684381 /nfs/dbraw/zinc/68/43/81/908684381.db2.gz QFGPWZSCPDJEJK-UHFFFAOYSA-N 2 1 377.454 3.801 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC000636096396 909428156 /nfs/dbraw/zinc/42/81/56/909428156.db2.gz XPKNVXZOPPHAGI-ZRZAMGCNSA-N 2 1 377.532 3.675 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001179338817 909497742 /nfs/dbraw/zinc/49/77/42/909497742.db2.gz OSHWMTCNYIUQAO-UTKZUKDTSA-N 2 1 386.511 3.975 20 0 GHADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001179338817 909497748 /nfs/dbraw/zinc/49/77/48/909497748.db2.gz OSHWMTCNYIUQAO-UTKZUKDTSA-N 2 1 386.511 3.975 20 0 GHADMP COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c(C)c1 ZINC001179805964 909743318 /nfs/dbraw/zinc/74/33/18/909743318.db2.gz XBJARLSGAXXTLX-UHFFFAOYSA-N 2 1 376.504 3.916 20 0 GHADMP C[N@H+](Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C[C@H]1CCC[NH+](C)C1 ZINC001179994137 909859065 /nfs/dbraw/zinc/85/90/65/909859065.db2.gz WEZQAXSVPCYPSM-IBGZPJMESA-N 2 1 387.568 3.753 20 0 GHADMP C[NH+](Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C[C@H]1CCC[N@H+](C)C1 ZINC001179994137 909859070 /nfs/dbraw/zinc/85/90/70/909859070.db2.gz WEZQAXSVPCYPSM-IBGZPJMESA-N 2 1 387.568 3.753 20 0 GHADMP C[NH+](Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C[C@H]1CCC[N@@H+](C)C1 ZINC001179994137 909859077 /nfs/dbraw/zinc/85/90/77/909859077.db2.gz WEZQAXSVPCYPSM-IBGZPJMESA-N 2 1 387.568 3.753 20 0 GHADMP CC(=O)N(C)C1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637977420 910019782 /nfs/dbraw/zinc/01/97/82/910019782.db2.gz PHKFEKNHBNDIHN-XMMPIXPASA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268832557 910038256 /nfs/dbraw/zinc/03/82/56/910038256.db2.gz RGRHIQUKYSHYIT-HYBUGGRVSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000268832557 910038265 /nfs/dbraw/zinc/03/82/65/910038265.db2.gz RGRHIQUKYSHYIT-HYBUGGRVSA-N 2 1 391.559 3.952 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1 ZINC000268929187 910073834 /nfs/dbraw/zinc/07/38/34/910073834.db2.gz YZLLTFKNSWGHFO-QGZVFWFLSA-N 2 1 392.503 3.984 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC000268990488 910095435 /nfs/dbraw/zinc/09/54/35/910095435.db2.gz RGLXCVUPZNEMRY-CVDCTZTESA-N 2 1 393.579 3.651 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)ncn1 ZINC000268990488 910095449 /nfs/dbraw/zinc/09/54/49/910095449.db2.gz RGLXCVUPZNEMRY-CVDCTZTESA-N 2 1 393.579 3.651 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)C1CC[NH+](C)CC1 ZINC000246108359 910104465 /nfs/dbraw/zinc/10/44/65/910104465.db2.gz JQRBUZRGOAHANG-GMAHTHKFSA-N 2 1 397.563 3.898 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638719677 910217130 /nfs/dbraw/zinc/21/71/30/910217130.db2.gz OPIMAQJEZRSQDB-UHFFFAOYSA-N 2 1 397.469 3.760 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638747638 910223652 /nfs/dbraw/zinc/22/36/52/910223652.db2.gz DNSWJEMOMCNGPV-FUDKSRODSA-N 2 1 381.564 3.735 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638747638 910223657 /nfs/dbraw/zinc/22/36/57/910223657.db2.gz DNSWJEMOMCNGPV-FUDKSRODSA-N 2 1 381.564 3.735 20 0 GHADMP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)CC1 ZINC001181493110 910794387 /nfs/dbraw/zinc/79/43/87/910794387.db2.gz AUKCJVHFUZCCES-NPXOOMFISA-N 2 1 383.580 3.810 20 0 GHADMP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001181841115 911037380 /nfs/dbraw/zinc/03/73/80/911037380.db2.gz VWPZXRGLVPLKBW-PKTZIBPZSA-N 2 1 397.538 3.580 20 0 GHADMP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001181841115 911037393 /nfs/dbraw/zinc/03/73/93/911037393.db2.gz VWPZXRGLVPLKBW-PKTZIBPZSA-N 2 1 397.538 3.580 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000640561442 911067696 /nfs/dbraw/zinc/06/76/96/911067696.db2.gz HGWZXOCIABHXNJ-WIYYLYMNSA-N 2 1 395.551 3.660 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000640607916 911083476 /nfs/dbraw/zinc/08/34/76/911083476.db2.gz DOATXHIHJAQFPG-AVRDEDQJSA-N 2 1 395.551 3.660 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000640607916 911083495 /nfs/dbraw/zinc/08/34/95/911083495.db2.gz DOATXHIHJAQFPG-AVRDEDQJSA-N 2 1 395.551 3.660 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000247655840 911379770 /nfs/dbraw/zinc/37/97/70/911379770.db2.gz XDFHJSJOITUKGC-JFIYKMOQSA-N 2 1 379.570 3.730 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000247655840 911379797 /nfs/dbraw/zinc/37/97/97/911379797.db2.gz XDFHJSJOITUKGC-JFIYKMOQSA-N 2 1 379.570 3.730 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001182320887 911479666 /nfs/dbraw/zinc/47/96/66/911479666.db2.gz XATPUOKZTVRQKB-GOTSBHOMSA-N 2 1 383.580 3.684 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000774389874 911731986 /nfs/dbraw/zinc/73/19/86/911731986.db2.gz CLAMFEXEPFCJQX-YTFSRNRJSA-N 2 1 384.564 3.810 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000366707368 921699985 /nfs/dbraw/zinc/69/99/85/921699985.db2.gz HJLHZTVRWXWEDN-JNDMAISQSA-N 3 1 399.623 3.787 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000366707368 921699997 /nfs/dbraw/zinc/69/99/97/921699997.db2.gz HJLHZTVRWXWEDN-JNDMAISQSA-N 2 1 399.623 3.787 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000366707368 921700001 /nfs/dbraw/zinc/70/00/01/921700001.db2.gz HJLHZTVRWXWEDN-JNDMAISQSA-N 2 1 399.623 3.787 20 0 GHADMP C[C@@H]1CC[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001182543691 911865032 /nfs/dbraw/zinc/86/50/32/911865032.db2.gz MEALHFKTKVRQQV-GATIMQMVSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1CC[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001182543691 911865037 /nfs/dbraw/zinc/86/50/37/911865037.db2.gz MEALHFKTKVRQQV-GATIMQMVSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1CC[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1Cc1ccccc1 ZINC001182543691 911865047 /nfs/dbraw/zinc/86/50/47/911865047.db2.gz MEALHFKTKVRQQV-GATIMQMVSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC001182543691 911865057 /nfs/dbraw/zinc/86/50/57/911865057.db2.gz MEALHFKTKVRQQV-GATIMQMVSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC001182543691 911865064 /nfs/dbraw/zinc/86/50/64/911865064.db2.gz MEALHFKTKVRQQV-GATIMQMVSA-N 2 1 377.576 3.975 20 0 GHADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001182848030 912061430 /nfs/dbraw/zinc/06/14/30/912061430.db2.gz CJRTWTOAMXWQIG-RPWUZVMVSA-N 2 1 391.559 3.772 20 0 GHADMP CC(C)[N@H+]1CC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001182848030 912061438 /nfs/dbraw/zinc/06/14/38/912061438.db2.gz CJRTWTOAMXWQIG-RPWUZVMVSA-N 2 1 391.559 3.772 20 0 GHADMP CC(C)[NH+]1CC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001182848030 912061449 /nfs/dbraw/zinc/06/14/49/912061449.db2.gz CJRTWTOAMXWQIG-RPWUZVMVSA-N 2 1 391.559 3.772 20 0 GHADMP CC(C)[NH+]1CC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001182848030 912061461 /nfs/dbraw/zinc/06/14/61/912061461.db2.gz CJRTWTOAMXWQIG-RPWUZVMVSA-N 2 1 391.559 3.772 20 0 GHADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647248721 915105116 /nfs/dbraw/zinc/10/51/16/915105116.db2.gz WXGAVJAVOGPKCC-MJGOQNOKSA-N 2 1 389.337 3.893 20 0 GHADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248721 915105123 /nfs/dbraw/zinc/10/51/23/915105123.db2.gz WXGAVJAVOGPKCC-MJGOQNOKSA-N 2 1 389.337 3.893 20 0 GHADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344585 915164767 /nfs/dbraw/zinc/16/47/67/915164767.db2.gz UVIKWNLVAZUROB-QIJUGHKUSA-N 2 1 379.548 3.901 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647479694 915290653 /nfs/dbraw/zinc/29/06/53/915290653.db2.gz PWBFMIPPVIMYQR-AZUAARDMSA-N 2 1 392.469 3.914 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cn2)cc1 ZINC000647479694 915290689 /nfs/dbraw/zinc/29/06/89/915290689.db2.gz PWBFMIPPVIMYQR-AZUAARDMSA-N 2 1 392.469 3.914 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384487 915362280 /nfs/dbraw/zinc/36/22/80/915362280.db2.gz OMMDPDMZBHIOKW-RPWUZVMVSA-N 2 1 375.560 3.609 20 0 GHADMP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000291798353 915369397 /nfs/dbraw/zinc/36/93/97/915369397.db2.gz ZBEAHYHRIIQWGR-UHFFFAOYSA-N 2 1 398.378 3.806 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@H]21 ZINC000647907881 915433746 /nfs/dbraw/zinc/43/37/46/915433746.db2.gz IUKPHDNTCRSOFV-MISYRCLQSA-N 2 1 379.504 3.867 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978476 915459650 /nfs/dbraw/zinc/45/96/50/915459650.db2.gz SSPGXLBKWIUNNE-CGTJXYLNSA-N 2 1 397.519 3.674 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978476 915459661 /nfs/dbraw/zinc/45/96/61/915459661.db2.gz SSPGXLBKWIUNNE-CGTJXYLNSA-N 2 1 397.519 3.674 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C[C@@H]3CCOC3)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000292206074 915559063 /nfs/dbraw/zinc/55/90/63/915559063.db2.gz PUPDFKPPSFJQGN-PGRDOPGGSA-N 2 1 398.526 3.959 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000292206069 915559193 /nfs/dbraw/zinc/55/91/93/915559193.db2.gz PUPDFKPPSFJQGN-AVRDEDQJSA-N 2 1 398.526 3.959 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377959 915643359 /nfs/dbraw/zinc/64/33/59/915643359.db2.gz ZOWBOSVZKVQCHC-SELNLUPBSA-N 2 1 379.548 3.950 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377959 915643370 /nfs/dbraw/zinc/64/33/70/915643370.db2.gz ZOWBOSVZKVQCHC-SELNLUPBSA-N 2 1 379.548 3.950 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000648863724 915914003 /nfs/dbraw/zinc/91/40/03/915914003.db2.gz UHEFGJVNLNTCPT-YOEHRIQHSA-N 2 1 396.457 3.835 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)c2cccs2)CC1 ZINC000543777941 915971364 /nfs/dbraw/zinc/97/13/64/915971364.db2.gz YOXLCFUCALBWIB-RBUKOAKNSA-N 2 1 389.540 3.679 20 0 GHADMP c1coc(-c2nnc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)o2)c1 ZINC000293226322 916070403 /nfs/dbraw/zinc/07/04/03/916070403.db2.gz HBKVVPILWSJEGT-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP c1coc(-c2nnc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)o2)c1 ZINC000293226322 916070416 /nfs/dbraw/zinc/07/04/16/916070416.db2.gz HBKVVPILWSJEGT-UHFFFAOYSA-N 2 1 378.476 3.818 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000649329995 916102398 /nfs/dbraw/zinc/10/23/98/916102398.db2.gz NXENOOWDQHPQJX-DENIHFKCSA-N 2 1 379.548 3.574 20 0 GHADMP CO[C@]1(C)CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@](C)(OC)CC3)c2)CC1 ZINC000649526042 916209897 /nfs/dbraw/zinc/20/98/97/916209897.db2.gz YHPFHUIYQLYBTA-DHIUTWEWSA-N 2 1 389.584 3.864 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000293811683 916398099 /nfs/dbraw/zinc/39/80/99/916398099.db2.gz CMXBPAPWZPZLAU-QGZVFWFLSA-N 2 1 379.504 3.539 20 0 GHADMP c1oc(-c2ccccc2)nc1CN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000361240226 916591011 /nfs/dbraw/zinc/59/10/11/916591011.db2.gz GPZMQHKBLFTWJF-IRLDBZIGSA-N 2 1 380.536 3.522 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C[N@H+]1Cc1ccccc1 ZINC000775312828 916918453 /nfs/dbraw/zinc/91/84/53/916918453.db2.gz AONLYXUEVJZODD-KNQAVFIVSA-N 2 1 391.559 3.986 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650416999 916968787 /nfs/dbraw/zinc/96/87/87/916968787.db2.gz IVYHYOFEPCZHJZ-SFHVURJKSA-N 2 1 390.597 3.680 20 0 GHADMP Cc1cc(F)cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000362214898 917140176 /nfs/dbraw/zinc/14/01/76/917140176.db2.gz AGSPXICXLDAYIY-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OCC ZINC000650705631 917241964 /nfs/dbraw/zinc/24/19/64/917241964.db2.gz OMFSGLPJCCFZRB-ZVDOUQERSA-N 2 1 376.541 3.592 20 0 GHADMP CCCOc1c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cccc1OCC ZINC000650705232 917242482 /nfs/dbraw/zinc/24/24/82/917242482.db2.gz ACMRGGKHNQVDOA-FBBABVLZSA-N 2 1 376.541 3.592 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3Cl)C2)C1 ZINC000650708400 917243941 /nfs/dbraw/zinc/24/39/41/917243941.db2.gz ZCPGGFWXEJMICF-VMGRFDJRSA-N 2 1 387.749 3.821 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000650722656 917248480 /nfs/dbraw/zinc/24/84/80/917248480.db2.gz YSLMYXGLSZEKOP-SFHLNBCPSA-N 2 1 376.541 3.735 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OCC ZINC000650722195 917248601 /nfs/dbraw/zinc/24/86/01/917248601.db2.gz MYLRHUISWUMFOQ-SBHAEUEKSA-N 2 1 376.541 3.735 20 0 GHADMP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC001190652218 917481809 /nfs/dbraw/zinc/48/18/09/917481809.db2.gz XYFRGRAGJRDWJG-FQEVSTJZSA-N 2 1 387.568 3.858 20 0 GHADMP Cc1ccc(C[C@H]2CCC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001190682369 917511314 /nfs/dbraw/zinc/51/13/14/917511314.db2.gz HCRSRKSEUOQMQS-VWNXMTODSA-N 2 1 393.575 3.669 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[NH+]3CCC[C@H]3C2)c1 ZINC000362967953 917568986 /nfs/dbraw/zinc/56/89/86/917568986.db2.gz XHKMSRISXIVVHB-QHCPKHFHSA-N 2 1 377.532 3.629 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000362967953 917568992 /nfs/dbraw/zinc/56/89/92/917568992.db2.gz XHKMSRISXIVVHB-QHCPKHFHSA-N 2 1 377.532 3.629 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000362967953 917569002 /nfs/dbraw/zinc/56/90/02/917569002.db2.gz XHKMSRISXIVVHB-QHCPKHFHSA-N 2 1 377.532 3.629 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000652347137 917877691 /nfs/dbraw/zinc/87/76/91/917877691.db2.gz SPPCECTYJMDKAX-SCPDWHHUSA-N 2 1 393.531 3.585 20 0 GHADMP Cc1ccnc(-c2noc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)n2)c1 ZINC000296208447 917992393 /nfs/dbraw/zinc/99/23/93/917992393.db2.gz FVPLXRJABOWLNQ-UHFFFAOYSA-N 2 1 392.507 3.574 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653153394 918143820 /nfs/dbraw/zinc/14/38/20/918143820.db2.gz OHBNXDUANYZTBD-OALUTQOASA-N 2 1 396.362 3.605 20 0 GHADMP C[C@@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000653239622 918197188 /nfs/dbraw/zinc/19/71/88/918197188.db2.gz CMYUCKFBVLYXKR-AUSIDOKSSA-N 2 1 379.548 3.908 20 0 GHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653617207 918359771 /nfs/dbraw/zinc/35/97/71/918359771.db2.gz JVFWXMOSTVTVDY-QUCCMNQESA-N 2 1 381.524 3.863 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ncc(C(F)(F)F)cc2Br)CC1 ZINC001205578959 918401482 /nfs/dbraw/zinc/40/14/82/918401482.db2.gz KRFNCHJSNHXKFO-ZDUSSCGKSA-N 2 1 384.215 3.516 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CC1 ZINC001205578959 918401488 /nfs/dbraw/zinc/40/14/88/918401488.db2.gz KRFNCHJSNHXKFO-ZDUSSCGKSA-N 2 1 384.215 3.516 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000654634820 919259993 /nfs/dbraw/zinc/25/99/93/919259993.db2.gz RVCWLSFVKLEQGT-ZEQRLZLVSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654634820 919260004 /nfs/dbraw/zinc/26/00/04/919260004.db2.gz RVCWLSFVKLEQGT-ZEQRLZLVSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654634820 919260013 /nfs/dbraw/zinc/26/00/13/919260013.db2.gz RVCWLSFVKLEQGT-ZEQRLZLVSA-N 2 1 391.559 3.537 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000800233804 919744828 /nfs/dbraw/zinc/74/48/28/919744828.db2.gz FRZNOVLJTKHHKQ-UHFFFAOYSA-N 2 1 387.518 3.714 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000800353597 919949764 /nfs/dbraw/zinc/94/97/64/919949764.db2.gz VMOKFGRRXVKCRP-SFHVURJKSA-N 2 1 379.589 3.830 20 0 GHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000800971886 920656748 /nfs/dbraw/zinc/65/67/48/920656748.db2.gz XNEBINWEAMGQBQ-HKUYNNGSSA-N 2 1 379.342 3.669 20 0 GHADMP CCOc1c(Br)cc(CN2CC[C@@H](c3nccn3C)C2)cc1OC ZINC000367710696 922277995 /nfs/dbraw/zinc/27/79/95/922277995.db2.gz ZRVYFGFLTCAMGM-CQSZACIVSA-N 2 1 394.313 3.579 20 0 GHADMP CCO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000902789083 922499655 /nfs/dbraw/zinc/49/96/55/922499655.db2.gz HSBQDALZDBHDPG-NZQKXSOJSA-N 2 1 390.568 3.614 20 0 GHADMP CC(C)(C)OC(=O)NCCC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000902993669 922694243 /nfs/dbraw/zinc/69/42/43/922694243.db2.gz VLDITXQQRLRDET-MSOLQXFVSA-N 2 1 384.524 3.903 20 0 GHADMP COc1ccc(NC(=[NH2+])NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000368532509 922732912 /nfs/dbraw/zinc/73/29/12/922732912.db2.gz ZDLXOCKWAKRSQQ-QFIPXVFZSA-N 2 1 382.508 3.552 20 0 GHADMP CN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2F)c2ccc(F)cc2F)CC1 ZINC000903066124 922741428 /nfs/dbraw/zinc/74/14/28/922741428.db2.gz KPMWMRPWKMINHL-QFIPXVFZSA-N 2 1 391.481 3.811 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1)C1CCOCC1 ZINC000903088652 922763883 /nfs/dbraw/zinc/76/38/83/922763883.db2.gz KWMYUQREPDQDOL-XMMPIXPASA-N 2 1 395.547 3.812 20 0 GHADMP O[C@H](C[C@H]1CCCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000903735381 923238883 /nfs/dbraw/zinc/23/88/83/923238883.db2.gz ZHTGSTDSAMLINA-CEXWTWQISA-N 2 1 378.582 3.575 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000677128964 924252014 /nfs/dbraw/zinc/25/20/14/924252014.db2.gz GGZPLKDNZGMSLH-PZJWPPBQSA-N 2 1 375.520 3.658 20 0 GHADMP CCCN(C(=O)c1cccs1)C1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000370757621 924287820 /nfs/dbraw/zinc/28/78/20/924287820.db2.gz OQVJCOHWKURDAH-GOSISDBHSA-N 2 1 377.598 3.939 20 0 GHADMP CCCN(C(=O)c1cccs1)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000370757621 924287827 /nfs/dbraw/zinc/28/78/27/924287827.db2.gz OQVJCOHWKURDAH-GOSISDBHSA-N 2 1 377.598 3.939 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1c1ccc(Oc2ccccc2)cc1 ZINC000677238019 924295382 /nfs/dbraw/zinc/29/53/82/924295382.db2.gz UVMSGIFJLSQWOM-ZJOUEHCJSA-N 2 1 391.515 3.801 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CN1c1ccc(Oc2ccccc2)cc1 ZINC000677238019 924295387 /nfs/dbraw/zinc/29/53/87/924295387.db2.gz UVMSGIFJLSQWOM-ZJOUEHCJSA-N 2 1 391.515 3.801 20 0 GHADMP Cc1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001137289409 924328081 /nfs/dbraw/zinc/32/80/81/924328081.db2.gz BBTGTCRJVHHXPD-QZTJIDSGSA-N 2 1 391.968 3.828 20 0 GHADMP Cc1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001137289409 924328091 /nfs/dbraw/zinc/32/80/91/924328091.db2.gz BBTGTCRJVHHXPD-QZTJIDSGSA-N 2 1 391.968 3.828 20 0 GHADMP Cc1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001137289409 924328102 /nfs/dbraw/zinc/32/81/02/924328102.db2.gz BBTGTCRJVHHXPD-QZTJIDSGSA-N 2 1 391.968 3.828 20 0 GHADMP Cc1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001137289409 924328115 /nfs/dbraw/zinc/32/81/15/924328115.db2.gz BBTGTCRJVHHXPD-QZTJIDSGSA-N 2 1 391.968 3.828 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc4ccccc4[nH]3)O2)CC1 ZINC001137315737 924539494 /nfs/dbraw/zinc/53/94/94/924539494.db2.gz KTOAZCMCIGTONZ-GMKZXUHWSA-N 2 1 397.563 3.648 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000678129096 924623339 /nfs/dbraw/zinc/62/33/39/924623339.db2.gz MYTCBKJLMPKEGI-UHFFFAOYSA-N 2 1 394.519 3.519 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000678258590 924691217 /nfs/dbraw/zinc/69/12/17/924691217.db2.gz FLAWFBZEQQCQPL-JOCHJYFZSA-N 2 1 379.548 3.574 20 0 GHADMP COc1ccccc1-c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000678258590 924691223 /nfs/dbraw/zinc/69/12/23/924691223.db2.gz FLAWFBZEQQCQPL-JOCHJYFZSA-N 2 1 379.548 3.574 20 0 GHADMP Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(-c2cc3ccccc3o2)n1 ZINC000678339002 924731734 /nfs/dbraw/zinc/73/17/34/924731734.db2.gz LACKFIFKTSMRDS-SBHAEUEKSA-N 2 1 394.519 3.517 20 0 GHADMP Cn1cc(C[N@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(-c2cc3ccccc3o2)n1 ZINC000678339002 924731742 /nfs/dbraw/zinc/73/17/42/924731742.db2.gz LACKFIFKTSMRDS-SBHAEUEKSA-N 2 1 394.519 3.517 20 0 GHADMP C(=C\C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1)\C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678636867 924857068 /nfs/dbraw/zinc/85/70/68/924857068.db2.gz NQOSSXIOYJJBRW-HEAXVUOASA-N 2 1 390.612 3.820 20 0 GHADMP CCc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1CC ZINC000372051288 925098849 /nfs/dbraw/zinc/09/88/49/925098849.db2.gz GGTHGEPLCWVARH-UHFFFAOYSA-N 2 1 389.584 3.673 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000680001178 925327753 /nfs/dbraw/zinc/32/77/53/925327753.db2.gz JZKNLVZHCLZVMK-QGZVFWFLSA-N 2 1 396.457 3.679 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1c[nH]c3ncccc13)C2 ZINC001137400914 925387778 /nfs/dbraw/zinc/38/77/78/925387778.db2.gz KTEGVSXXGPVZNP-UHFFFAOYSA-N 2 1 387.487 3.741 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1c[nH]c3ncccc13)C2 ZINC001137400914 925387785 /nfs/dbraw/zinc/38/77/85/925387785.db2.gz KTEGVSXXGPVZNP-UHFFFAOYSA-N 2 1 387.487 3.741 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(OC)c1 ZINC001137451666 925829367 /nfs/dbraw/zinc/82/93/67/925829367.db2.gz GFUUYJVJGPDDKK-UHFFFAOYSA-N 2 1 398.503 3.563 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N(C)C(C)(C)C[NH+]3CCCCCC3)CC2)[nH+]c1 ZINC000681685879 925879536 /nfs/dbraw/zinc/87/95/36/925879536.db2.gz HMUUATCHRLWMQM-UHFFFAOYSA-N 2 1 386.584 3.719 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000682654937 926198204 /nfs/dbraw/zinc/19/82/04/926198204.db2.gz VQPDUDSLYXQRAT-FCHUYYIVSA-N 2 1 396.535 3.584 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000394475405 926413958 /nfs/dbraw/zinc/41/39/58/926413958.db2.gz WRHVFIFWQLTRIM-LJQANCHMSA-N 2 1 375.557 3.586 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000411549793 926511151 /nfs/dbraw/zinc/51/11/51/926511151.db2.gz HXMUBQXGZKEFNT-XMSQKQJNSA-N 2 1 399.966 3.847 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(OC(C)C)cc1 ZINC000726489671 926704114 /nfs/dbraw/zinc/70/41/14/926704114.db2.gz CNEFIDIHQFTWFM-LJQANCHMSA-N 2 1 392.613 3.519 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411788227 926773184 /nfs/dbraw/zinc/77/31/84/926773184.db2.gz GJCVSYSXXWCPSS-KSZLIROESA-N 2 1 375.582 3.744 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000749587275 927203900 /nfs/dbraw/zinc/20/39/00/927203900.db2.gz HENFLHZGKNIVQR-CUWPLCDZSA-N 2 1 387.568 3.585 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(C)nn(C)c3nc2Cl)CC1 ZINC000750284750 927534250 /nfs/dbraw/zinc/53/42/50/927534250.db2.gz KWGPDBNRIGBCER-UHFFFAOYSA-N 2 1 377.964 3.874 20 0 GHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)cc2)C[C@H](C)O1 ZINC000412555351 927569994 /nfs/dbraw/zinc/56/99/94/927569994.db2.gz BTBZTTFXBUOVFC-IRXDYDNUSA-N 2 1 399.510 3.749 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000750833825 927883542 /nfs/dbraw/zinc/88/35/42/927883542.db2.gz HGRORGYDUUFVOO-UHFFFAOYSA-N 2 1 394.563 3.923 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(CCCn3ccnc3)CC2)c1 ZINC000544021466 928697728 /nfs/dbraw/zinc/69/77/28/928697728.db2.gz TUWAEODNPLLMSQ-UHFFFAOYSA-N 2 1 397.567 3.737 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544262004 928992968 /nfs/dbraw/zinc/99/29/68/928992968.db2.gz GHNSUTGGILOOFQ-HUUCEWRRSA-N 2 1 398.378 3.947 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000467540704 929178856 /nfs/dbraw/zinc/17/88/56/929178856.db2.gz BWPQUSJJMXSERG-WMZHIEFXSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000467540704 929178862 /nfs/dbraw/zinc/17/88/62/929178862.db2.gz BWPQUSJJMXSERG-WMZHIEFXSA-N 2 1 377.532 3.603 20 0 GHADMP CC(C)[NH+](CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C(C)C ZINC000467776273 929401026 /nfs/dbraw/zinc/40/10/26/929401026.db2.gz RJHQCCAMKJJINI-UHFFFAOYSA-N 2 1 385.346 3.819 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000753543773 929403010 /nfs/dbraw/zinc/40/30/10/929403010.db2.gz FDURDMOEMJPJET-PXNSSMCTSA-N 2 1 399.539 3.701 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)C[N@H+]1Cc1ccccc1 ZINC000753584796 929428198 /nfs/dbraw/zinc/42/81/98/929428198.db2.gz ALTBJPDBRQBMII-DENIHFKCSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)C[NH+]1Cc1ccccc1 ZINC000753584796 929428211 /nfs/dbraw/zinc/42/82/11/929428211.db2.gz ALTBJPDBRQBMII-DENIHFKCSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)C[NH+]1Cc1ccccc1 ZINC000753584796 929428215 /nfs/dbraw/zinc/42/82/15/929428215.db2.gz ALTBJPDBRQBMII-DENIHFKCSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)C[N@H+]1Cc1ccccc1 ZINC000753584802 929428286 /nfs/dbraw/zinc/42/82/86/929428286.db2.gz ALTBJPDBRQBMII-KNQAVFIVSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)C[NH+]1Cc1ccccc1 ZINC000753584802 929428294 /nfs/dbraw/zinc/42/82/94/929428294.db2.gz ALTBJPDBRQBMII-KNQAVFIVSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)C[NH+]1Cc1ccccc1 ZINC000753584802 929428302 /nfs/dbraw/zinc/42/83/02/929428302.db2.gz ALTBJPDBRQBMII-KNQAVFIVSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000467854201 929509910 /nfs/dbraw/zinc/50/99/10/929509910.db2.gz VMFQPGHGFHKCED-OXQOHEQNSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000467854201 929509919 /nfs/dbraw/zinc/50/99/19/929509919.db2.gz VMFQPGHGFHKCED-OXQOHEQNSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000757727343 929783904 /nfs/dbraw/zinc/78/39/04/929783904.db2.gz HBGIOOVEZHVOJT-JYUKWDKTSA-N 2 1 398.595 3.746 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440744 929890026 /nfs/dbraw/zinc/89/00/26/929890026.db2.gz MNKJLJQSFOHVLJ-VXKWHMMOSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440744 929890028 /nfs/dbraw/zinc/89/00/28/929890028.db2.gz MNKJLJQSFOHVLJ-VXKWHMMOSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440744 929890030 /nfs/dbraw/zinc/89/00/30/929890030.db2.gz MNKJLJQSFOHVLJ-VXKWHMMOSA-N 2 1 388.600 3.516 20 0 GHADMP COCCn1cc2c(n1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CCC2 ZINC000546268348 930006993 /nfs/dbraw/zinc/00/69/93/930006993.db2.gz WTGMKHSYFXPKRM-BVYCBKJFSA-N 2 1 382.552 3.550 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1nc2ccccc2n1C ZINC000469759424 930142734 /nfs/dbraw/zinc/14/27/34/930142734.db2.gz ZAWBHDYMPHYPKD-HROJSSOGSA-N 2 1 376.548 3.862 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000759147522 930289624 /nfs/dbraw/zinc/28/96/24/930289624.db2.gz VIFFJLIITRJWTB-INIZCTEOSA-N 2 1 381.586 3.853 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000759147522 930289633 /nfs/dbraw/zinc/28/96/33/930289633.db2.gz VIFFJLIITRJWTB-INIZCTEOSA-N 2 1 381.586 3.853 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000546887719 930511105 /nfs/dbraw/zinc/51/11/05/930511105.db2.gz GECNUSPCHOMLBD-HTAPYJJXSA-N 2 1 399.966 3.901 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000470369842 930567371 /nfs/dbraw/zinc/56/73/71/930567371.db2.gz QUEOSVKYOBEVJN-NRFANRHFSA-N 2 1 383.923 3.728 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000470369842 930567378 /nfs/dbraw/zinc/56/73/78/930567378.db2.gz QUEOSVKYOBEVJN-NRFANRHFSA-N 2 1 383.923 3.728 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1c(F)cccc1F ZINC000781423403 930839896 /nfs/dbraw/zinc/83/98/96/930839896.db2.gz PTGNIZLQLOETEB-MOXQZVSFSA-N 2 1 386.486 3.889 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000470751600 930882674 /nfs/dbraw/zinc/88/26/74/930882674.db2.gz NPAPETOIGSNQET-NRFANRHFSA-N 2 1 390.616 3.549 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470884692 930998798 /nfs/dbraw/zinc/99/87/98/930998798.db2.gz YTGUIPZSZIJFRS-CTNGQTDRSA-N 2 1 398.595 3.585 20 0 GHADMP CN(C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470896294 931007749 /nfs/dbraw/zinc/00/77/49/931007749.db2.gz FCPNWSDJHRGKBQ-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470896294 931007759 /nfs/dbraw/zinc/00/77/59/931007759.db2.gz FCPNWSDJHRGKBQ-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470896294 931007769 /nfs/dbraw/zinc/00/77/69/931007769.db2.gz FCPNWSDJHRGKBQ-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1)C(C)C ZINC000557203220 931270611 /nfs/dbraw/zinc/27/06/11/931270611.db2.gz HNJUWKBSMDOQRR-QHCPKHFHSA-N 2 1 397.563 3.958 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782778339 931333554 /nfs/dbraw/zinc/33/35/54/931333554.db2.gz LLBJHCKGEYCNLS-RPBOFIJWSA-N 2 1 394.559 3.901 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000924648113 931461395 /nfs/dbraw/zinc/46/13/95/931461395.db2.gz JFWLXORMIJGBTH-UHFFFAOYSA-N 2 1 387.568 3.586 20 0 GHADMP CC(C)c1ccc([C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2cccnc2)cc1 ZINC000924662446 931466176 /nfs/dbraw/zinc/46/61/76/931466176.db2.gz RAJYHGIWUFGCRR-XMMPIXPASA-N 2 1 380.580 3.912 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)C[C@H]3c3ccco3)CC2)CC1 ZINC000557634526 931585805 /nfs/dbraw/zinc/58/58/05/931585805.db2.gz HXTMCPVWLVNNCC-RXVVDRJESA-N 2 1 387.568 3.776 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3Cc3ccccn3)CC2)oc1C ZINC000925038853 931621420 /nfs/dbraw/zinc/62/14/20/931621420.db2.gz WMCRCPSARHETTI-IFMALSPDSA-N 2 1 382.552 3.899 20 0 GHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000925044292 931622897 /nfs/dbraw/zinc/62/28/97/931622897.db2.gz ZXRMKMUAKFFHDQ-GSVIPDFHSA-N 2 1 387.572 3.589 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CC2)cs1 ZINC000925572488 931826923 /nfs/dbraw/zinc/82/69/23/931826923.db2.gz JBPWMQABQYIMTO-RTWAWAEBSA-N 3 1 390.641 3.675 20 0 GHADMP OC[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@@H]1c1ccccc1 ZINC000558504825 932041222 /nfs/dbraw/zinc/04/12/22/932041222.db2.gz MWYNWOBLLGKVIJ-DNQXCXABSA-N 2 1 382.523 3.588 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000558604778 932103477 /nfs/dbraw/zinc/10/34/77/932103477.db2.gz CVXDSYUDLJRCPC-FPOVZHCZSA-N 2 1 388.600 3.564 20 0 GHADMP C[N@@H+]1CCN(CC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1(C)C ZINC000926356709 932144560 /nfs/dbraw/zinc/14/45/60/932144560.db2.gz JEZNNRJOLNGCQE-JOCHJYFZSA-N 2 1 378.520 3.533 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1(C)C ZINC000926356709 932144566 /nfs/dbraw/zinc/14/45/66/932144566.db2.gz JEZNNRJOLNGCQE-JOCHJYFZSA-N 2 1 378.520 3.533 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000798935682 932823315 /nfs/dbraw/zinc/82/33/15/932823315.db2.gz RPYAHRPUMIGKPI-DYXWJJEUSA-N 2 1 394.506 3.855 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000799178964 932900966 /nfs/dbraw/zinc/90/09/66/932900966.db2.gz UMEULNLMSBTGML-ROUUACIJSA-N 2 1 383.536 3.806 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000559890376 932925061 /nfs/dbraw/zinc/92/50/61/932925061.db2.gz FLFIGAYZKFJWGM-RJGXRXQPSA-N 2 1 398.591 3.853 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)CC2)oc1C ZINC000560025996 933023811 /nfs/dbraw/zinc/02/38/11/933023811.db2.gz QEXKZZBEGOCYGK-WOJBJXKFSA-N 2 1 385.556 3.553 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000560257830 933164932 /nfs/dbraw/zinc/16/49/32/933164932.db2.gz RWEWYGHMGJTFHR-QVQNZMNRSA-N 2 1 393.575 3.798 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](c3ccccc3)N(C)C)C2)s1 ZINC000560482177 933281800 /nfs/dbraw/zinc/28/18/00/933281800.db2.gz LDMNDORLJUEDRS-GHTZIAJQSA-N 2 1 385.577 3.640 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000560482177 933281815 /nfs/dbraw/zinc/28/18/15/933281815.db2.gz LDMNDORLJUEDRS-GHTZIAJQSA-N 2 1 385.577 3.640 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000560482177 933281820 /nfs/dbraw/zinc/28/18/20/933281820.db2.gz LDMNDORLJUEDRS-GHTZIAJQSA-N 2 1 385.577 3.640 20 0 GHADMP Cc1ccncc1CCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000560598184 933373028 /nfs/dbraw/zinc/37/30/28/933373028.db2.gz RYHKTNMSGAHGMQ-XMMPIXPASA-N 2 1 393.575 3.841 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000930059200 933805787 /nfs/dbraw/zinc/80/57/87/933805787.db2.gz AKCOLKZKKSMKAO-IEIRFRATSA-N 2 1 399.510 3.580 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000930059200 933805800 /nfs/dbraw/zinc/80/58/00/933805800.db2.gz AKCOLKZKKSMKAO-IEIRFRATSA-N 2 1 399.510 3.580 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000561045976 933813681 /nfs/dbraw/zinc/81/36/81/933813681.db2.gz QGIVSZDBLIDLJQ-YLJYHZDGSA-N 2 1 378.520 3.507 20 0 GHADMP CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089175 933825786 /nfs/dbraw/zinc/82/57/86/933825786.db2.gz JEXVYWAXFRDYLM-ZCYQVOJMSA-N 2 1 393.575 3.702 20 0 GHADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089175 933825795 /nfs/dbraw/zinc/82/57/95/933825795.db2.gz JEXVYWAXFRDYLM-ZCYQVOJMSA-N 2 1 393.575 3.702 20 0 GHADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC000930089175 933825803 /nfs/dbraw/zinc/82/58/03/933825803.db2.gz JEXVYWAXFRDYLM-ZCYQVOJMSA-N 2 1 393.575 3.702 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1n[nH]c3ccc(Br)cc31)CC2 ZINC001139660209 933947092 /nfs/dbraw/zinc/94/70/92/933947092.db2.gz KAVUFUIFIDIJFO-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001117726868 933997344 /nfs/dbraw/zinc/99/73/44/933997344.db2.gz LXWHGQWMDSXCOD-GLCCWIKHSA-N 2 1 383.580 3.953 20 0 GHADMP c1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(C[NH+]5CCOCC5)cc4)C3)nc2c1 ZINC001118050870 934083006 /nfs/dbraw/zinc/08/30/06/934083006.db2.gz ROBIUQLWVRGKQO-OAQYLSRUSA-N 2 1 390.531 3.775 20 0 GHADMP c1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(C[NH+]5CCOCC5)cc4)C3)nc2c1 ZINC001118050870 934083016 /nfs/dbraw/zinc/08/30/16/934083016.db2.gz ROBIUQLWVRGKQO-OAQYLSRUSA-N 2 1 390.531 3.775 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198434 934105862 /nfs/dbraw/zinc/10/58/62/934105862.db2.gz NAUKVBCZUGPAQH-RBUKOAKNSA-N 2 1 379.548 3.871 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccccc1Cc1ccccc1 ZINC001118263468 934121731 /nfs/dbraw/zinc/12/17/31/934121731.db2.gz GDOVDZMIKMOFCB-UHFFFAOYSA-N 2 1 377.532 3.682 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3C[C@@]3(C)Br)CC2)cs1 ZINC001119949371 934424255 /nfs/dbraw/zinc/42/42/55/934424255.db2.gz XTKSGACHPGEOKY-WMLDXEAASA-N 2 1 386.403 3.681 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc(OC)c1OCC(F)F ZINC001119988973 934431030 /nfs/dbraw/zinc/43/10/30/934431030.db2.gz MNCBXKIUEULFTE-BBWFWOEESA-N 2 1 398.494 3.510 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435218 934557066 /nfs/dbraw/zinc/55/70/66/934557066.db2.gz JGPNJZLOUJCJBK-FRRDWIJNSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931435218 934557071 /nfs/dbraw/zinc/55/70/71/934557071.db2.gz JGPNJZLOUJCJBK-FRRDWIJNSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931435218 934557077 /nfs/dbraw/zinc/55/70/77/934557077.db2.gz JGPNJZLOUJCJBK-FRRDWIJNSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931435218 934557082 /nfs/dbraw/zinc/55/70/82/934557082.db2.gz JGPNJZLOUJCJBK-FRRDWIJNSA-N 2 1 381.307 3.988 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc3c(c2)OCC[NH2+]C3)c1 ZINC001121909518 934787728 /nfs/dbraw/zinc/78/77/28/934787728.db2.gz UGZDHALDQXTNCK-UHFFFAOYSA-N 2 1 390.487 3.789 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCCCC12CC[NH2+]CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001121972935 934795960 /nfs/dbraw/zinc/79/59/60/934795960.db2.gz UVDLLMZIRMMEEG-ILWGZMRPSA-N 2 1 383.580 3.573 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001125133031 935532481 /nfs/dbraw/zinc/53/24/81/935532481.db2.gz MCZCKFCNIHPOQN-IBGZPJMESA-N 2 1 385.577 3.742 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001125133031 935532484 /nfs/dbraw/zinc/53/24/84/935532484.db2.gz MCZCKFCNIHPOQN-IBGZPJMESA-N 2 1 385.577 3.742 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001625820940 1014205193 /nfs/dbraw/zinc/20/51/93/1014205193.db2.gz BTYJCEFWIYKSAE-DEOSSOPVSA-N 2 1 393.575 3.579 20 0 GHADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001625820940 1014205204 /nfs/dbraw/zinc/20/52/04/1014205204.db2.gz BTYJCEFWIYKSAE-DEOSSOPVSA-N 2 1 393.575 3.579 20 0 GHADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001625820940 1014205212 /nfs/dbraw/zinc/20/52/12/1014205212.db2.gz BTYJCEFWIYKSAE-DEOSSOPVSA-N 2 1 393.575 3.579 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC001625850808 1014229614 /nfs/dbraw/zinc/22/96/14/1014229614.db2.gz UIJWYEYAWARNIC-IBGZPJMESA-N 2 1 390.597 3.870 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1ccc(Br)cc1Br)CC2 ZINC001222215963 1030010483 /nfs/dbraw/zinc/01/04/83/1030010483.db2.gz QBXFBEKGPOLSEB-UHFFFAOYSA-N 2 1 388.147 3.915 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468019271 1015151149 /nfs/dbraw/zinc/15/11/49/1015151149.db2.gz GDLWIJBTCZNMOD-KCZVDYSFSA-N 2 1 388.600 3.735 20 0 GHADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468024295 1015158527 /nfs/dbraw/zinc/15/85/27/1015158527.db2.gz KIVIKBJPTFJSNE-SVFBPWRDSA-N 2 1 386.584 3.535 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000545309587 1015762514 /nfs/dbraw/zinc/76/25/14/1015762514.db2.gz STHZDRMMCMIGJP-NRFANRHFSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468557150 1015804154 /nfs/dbraw/zinc/80/41/54/1015804154.db2.gz XSCWSSIUBQHSEH-JXFKEZNVSA-N 2 1 378.969 3.949 20 0 GHADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468557150 1015804159 /nfs/dbraw/zinc/80/41/59/1015804159.db2.gz XSCWSSIUBQHSEH-JXFKEZNVSA-N 2 1 378.969 3.949 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545458397 1015891388 /nfs/dbraw/zinc/89/13/88/1015891388.db2.gz WCZUMCRDPOELBI-JOCHJYFZSA-N 2 1 386.971 3.636 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545457617 1015892747 /nfs/dbraw/zinc/89/27/47/1015892747.db2.gz HJGINIJHASWACH-VXKWHMMOSA-N 2 1 387.955 3.845 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000469095960 1016468867 /nfs/dbraw/zinc/46/88/67/1016468867.db2.gz XZQUYSZOAHTRSL-JOCHJYFZSA-N 2 1 381.520 3.620 20 0 GHADMP CC[N@@H+](CCCC(=O)NCc1ccccc1C[NH3+])[C@@H](C)Cc1ccc(OC)cc1 ZINC001220855179 1032153634 /nfs/dbraw/zinc/15/36/34/1032153634.db2.gz PBWCJLZIAVRKDK-IBGZPJMESA-N 2 1 397.563 3.503 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)cc2)C1 ZINC001220880850 1032170149 /nfs/dbraw/zinc/17/01/49/1032170149.db2.gz XZVWDRSACKPMOU-UEVCKROQSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)C1 ZINC001220880850 1032170156 /nfs/dbraw/zinc/17/01/56/1032170156.db2.gz XZVWDRSACKPMOU-UEVCKROQSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)C1 ZINC001220880850 1032170164 /nfs/dbraw/zinc/17/01/64/1032170164.db2.gz XZVWDRSACKPMOU-UEVCKROQSA-N 2 1 398.595 3.735 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1Cl ZINC001221073849 1032268283 /nfs/dbraw/zinc/26/82/83/1032268283.db2.gz GKYJVGOESHDMNO-UIAACRFSSA-N 2 1 392.975 3.505 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001221100133 1032286112 /nfs/dbraw/zinc/28/61/12/1032286112.db2.gz FSKNDDDZSDUBCP-HXUWFJFHSA-N 2 1 394.991 3.850 20 0 GHADMP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001221407668 1032401784 /nfs/dbraw/zinc/40/17/84/1032401784.db2.gz DAFUZDNOYKPLJF-NHCUHLMSSA-N 2 1 389.971 3.761 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001221463376 1032425554 /nfs/dbraw/zinc/42/55/54/1032425554.db2.gz ATPPTGVIQZMCNZ-SLFFLAALSA-N 2 1 388.600 3.563 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001227458709 1032427285 /nfs/dbraw/zinc/42/72/85/1032427285.db2.gz ZNZKFBSDQUVJBC-RZFJCUDFSA-N 2 1 392.632 3.983 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3NCc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001155268776 1032477433 /nfs/dbraw/zinc/47/74/33/1032477433.db2.gz XVCPHKABELAZHP-UHFFFAOYSA-N 2 1 387.462 3.877 20 0 GHADMP CCc1cc(Cl)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155361859 1032518838 /nfs/dbraw/zinc/51/88/38/1032518838.db2.gz OHKPYCGTQMIHSC-GOSISDBHSA-N 2 1 399.970 3.606 20 0 GHADMP CC(C)Oc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155363861 1032520266 /nfs/dbraw/zinc/52/02/66/1032520266.db2.gz NTYZDIGULICIIG-NRFANRHFSA-N 2 1 394.563 3.783 20 0 GHADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3nc(-c4ccccc4)cc(-c4ccccc4)n3)C2)C1 ZINC001155373249 1032524193 /nfs/dbraw/zinc/52/41/93/1032524193.db2.gz PBHFRYKZJPGTPJ-JOCHJYFZSA-N 2 1 399.542 3.670 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1nc(N3CCCCC3)cc[nH+]1)CC21CC[NH2+]CC1 ZINC001155436664 1032541635 /nfs/dbraw/zinc/54/16/35/1032541635.db2.gz OXKHVPOYNHMRIM-FQEVSTJZSA-N 2 1 377.536 3.953 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149652 1032603249 /nfs/dbraw/zinc/60/32/49/1032603249.db2.gz WVMZLTCNBWZJNJ-ACIOBRDBSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149652 1032603255 /nfs/dbraw/zinc/60/32/55/1032603255.db2.gz WVMZLTCNBWZJNJ-ACIOBRDBSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149652 1032603262 /nfs/dbraw/zinc/60/32/62/1032603262.db2.gz WVMZLTCNBWZJNJ-ACIOBRDBSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001204149652 1032603264 /nfs/dbraw/zinc/60/32/64/1032603264.db2.gz WVMZLTCNBWZJNJ-ACIOBRDBSA-N 2 1 393.531 3.601 20 0 GHADMP C[C@@H]([NH2+]C1(CN[C@H](CCC[NH3+])c2ccccc2)CCOCC1)c1ccccc1 ZINC000925512434 1017098480 /nfs/dbraw/zinc/09/84/80/1017098480.db2.gz CNFALIZYACVRPO-NFBKMPQASA-N 2 1 381.564 3.956 20 0 GHADMP CCS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000926909331 1017324110 /nfs/dbraw/zinc/32/41/10/1017324110.db2.gz OHFGJQLJZWURLY-RXVVDRJESA-N 2 1 392.609 3.655 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2CCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC001204267996 1032711020 /nfs/dbraw/zinc/71/10/20/1032711020.db2.gz YHBLUWBELXENQC-UHFFFAOYSA-N 2 1 389.490 3.618 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000929771287 1017739548 /nfs/dbraw/zinc/73/95/48/1017739548.db2.gz DLOZLSCDRHSBQS-LJQANCHMSA-N 2 1 383.540 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000929771287 1017739561 /nfs/dbraw/zinc/73/95/61/1017739561.db2.gz DLOZLSCDRHSBQS-LJQANCHMSA-N 2 1 383.540 3.908 20 0 GHADMP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)C[C@]2(C)C1 ZINC000931309251 1017956731 /nfs/dbraw/zinc/95/67/31/1017956731.db2.gz XMEWQFZWBWUDOG-ZEQRLZLVSA-N 2 1 377.532 3.956 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969687 1017996035 /nfs/dbraw/zinc/99/60/35/1017996035.db2.gz RKCYWXYDGHFNTK-RUZDIDTESA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969687 1017996038 /nfs/dbraw/zinc/99/60/38/1017996038.db2.gz RKCYWXYDGHFNTK-RUZDIDTESA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969687 1017996044 /nfs/dbraw/zinc/99/60/44/1017996044.db2.gz RKCYWXYDGHFNTK-RUZDIDTESA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4N4CCOCC4)C3)C2)cc1 ZINC000561969687 1017996047 /nfs/dbraw/zinc/99/60/47/1017996047.db2.gz RKCYWXYDGHFNTK-RUZDIDTESA-N 2 1 391.559 3.621 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000561981143 1017997828 /nfs/dbraw/zinc/99/78/28/1017997828.db2.gz ZHQPDMFAACNNJC-IBGZPJMESA-N 2 1 377.916 3.925 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000561981143 1017997834 /nfs/dbraw/zinc/99/78/34/1017997834.db2.gz ZHQPDMFAACNNJC-IBGZPJMESA-N 2 1 377.916 3.925 20 0 GHADMP CCCCCOc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001204315441 1032759357 /nfs/dbraw/zinc/75/93/57/1032759357.db2.gz VEOOYIYHVLOMEY-PKTZIBPZSA-N 2 1 396.579 3.943 20 0 GHADMP CCCCCOc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001204315441 1032759375 /nfs/dbraw/zinc/75/93/75/1032759375.db2.gz VEOOYIYHVLOMEY-PKTZIBPZSA-N 2 1 396.579 3.943 20 0 GHADMP CCCCCOc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001204315441 1032759390 /nfs/dbraw/zinc/75/93/90/1032759390.db2.gz VEOOYIYHVLOMEY-PKTZIBPZSA-N 2 1 396.579 3.943 20 0 GHADMP CCCCCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1 ZINC001204315441 1032759404 /nfs/dbraw/zinc/75/94/04/1032759404.db2.gz VEOOYIYHVLOMEY-PKTZIBPZSA-N 2 1 396.579 3.943 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn2cc[nH+]c12 ZINC000562614502 1018400109 /nfs/dbraw/zinc/40/01/09/1018400109.db2.gz HSGGNGAQRSTPCU-XLIONFOSSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn2cc[nH+]c12 ZINC000562614502 1018400116 /nfs/dbraw/zinc/40/01/16/1018400116.db2.gz HSGGNGAQRSTPCU-XLIONFOSSA-N 2 1 377.492 3.675 20 0 GHADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000562775546 1018625910 /nfs/dbraw/zinc/62/59/10/1018625910.db2.gz LMQCTCNXFLCLRW-ZSTWQFLISA-N 2 1 382.548 3.550 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000562987740 1018893402 /nfs/dbraw/zinc/89/34/02/1018893402.db2.gz KCMDAXQGLPCONK-PKOBYXMFSA-N 2 1 376.504 3.586 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H](COC)[N@H+](Cc4nccs4)C3)CC2)o1 ZINC001204390961 1032816183 /nfs/dbraw/zinc/81/61/83/1032816183.db2.gz LKKZZMQTIZHRQH-KRWDZBQOSA-N 2 1 389.565 3.802 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H](COC)[N@@H+](Cc4nccs4)C3)CC2)o1 ZINC001204390961 1032816195 /nfs/dbraw/zinc/81/61/95/1032816195.db2.gz LKKZZMQTIZHRQH-KRWDZBQOSA-N 2 1 389.565 3.802 20 0 GHADMP CC[C@]1(C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CCC[NH2+]1 ZINC000567236173 1019277554 /nfs/dbraw/zinc/27/75/54/1019277554.db2.gz UCINOEKODXIFPH-HXUWFJFHSA-N 2 1 397.485 3.660 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3Cc3ccc(C)cc3)CC2)CC1 ZINC000567364652 1019285956 /nfs/dbraw/zinc/28/59/56/1019285956.db2.gz QOYZTTJCOHMENN-DEOSSOPVSA-N 2 1 397.607 3.725 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000567864828 1019349465 /nfs/dbraw/zinc/34/94/65/1019349465.db2.gz STLVLOBNGYXTFX-KRWDZBQOSA-N 2 1 389.341 3.803 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(-n3ccnc3)c2)C1 ZINC000568433649 1019406488 /nfs/dbraw/zinc/40/64/88/1019406488.db2.gz UNPWWVPGEKFZIC-PZJWPPBQSA-N 2 1 395.551 3.668 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000572294006 1019763257 /nfs/dbraw/zinc/76/32/57/1019763257.db2.gz UWKHLAAJCRJBCS-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000572294006 1019763273 /nfs/dbraw/zinc/76/32/73/1019763273.db2.gz UWKHLAAJCRJBCS-OAQYLSRUSA-N 2 1 398.522 3.853 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000572548612 1019784499 /nfs/dbraw/zinc/78/44/99/1019784499.db2.gz CXHNBFGCPRVVEN-RJGXRXQPSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)oc1C ZINC000187821689 1020434001 /nfs/dbraw/zinc/43/40/01/1020434001.db2.gz NAMGCHYWWPHGAQ-UHFFFAOYSA-N 2 1 392.887 3.855 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C)c(Br)cn2)CC1 ZINC000628186564 1020674440 /nfs/dbraw/zinc/67/44/40/1020674440.db2.gz OGLOBUMYUYEZIW-UHFFFAOYSA-N 2 1 398.389 3.723 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)c(Br)cn2)CC1 ZINC000628186564 1020674446 /nfs/dbraw/zinc/67/44/46/1020674446.db2.gz OGLOBUMYUYEZIW-UHFFFAOYSA-N 2 1 398.389 3.723 20 0 GHADMP COc1cc(Cl)c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000631086012 1020857207 /nfs/dbraw/zinc/85/72/07/1020857207.db2.gz QLHITRWPLWZLDA-UHFFFAOYSA-N 2 1 390.915 3.523 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)oc1C ZINC001204530764 1032953960 /nfs/dbraw/zinc/95/39/60/1032953960.db2.gz IIPOWBOACRWIEJ-UHFFFAOYSA-N 2 1 395.547 3.647 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1F ZINC001204561789 1032973027 /nfs/dbraw/zinc/97/30/27/1032973027.db2.gz UVLGBHCQDCESIH-DWLFOUALSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1F ZINC001204561789 1032973032 /nfs/dbraw/zinc/97/30/32/1032973032.db2.gz UVLGBHCQDCESIH-DWLFOUALSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1F ZINC001204561789 1032973035 /nfs/dbraw/zinc/97/30/35/1032973035.db2.gz UVLGBHCQDCESIH-DWLFOUALSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1F ZINC001204561789 1032973042 /nfs/dbraw/zinc/97/30/42/1032973042.db2.gz UVLGBHCQDCESIH-DWLFOUALSA-N 2 1 383.511 3.962 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(O)cc(Cl)c3)CC2)CC1 ZINC001204601605 1032989759 /nfs/dbraw/zinc/98/97/59/1032989759.db2.gz HMDPELOUQAFHIB-UHFFFAOYSA-N 2 1 379.976 3.674 20 0 GHADMP CC(C)(C)OC(=O)N1CC=C(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903165234 1021581174 /nfs/dbraw/zinc/58/11/74/1021581174.db2.gz QDIYGHLXHGTWGC-CTXDPNEZSA-N 2 1 375.557 3.691 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]2c2ccc(I)cc2)CC1 ZINC001204640987 1033007900 /nfs/dbraw/zinc/00/79/00/1033007900.db2.gz ZINMYEWERHCJGU-KRWDZBQOSA-N 2 1 384.305 3.770 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000678285740 1021916495 /nfs/dbraw/zinc/91/64/95/1021916495.db2.gz ZVGJFGKYMNNBDK-SFHVURJKSA-N 2 1 378.520 3.997 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000678285740 1021916498 /nfs/dbraw/zinc/91/64/98/1021916498.db2.gz ZVGJFGKYMNNBDK-SFHVURJKSA-N 2 1 378.520 3.997 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000678285740 1021916501 /nfs/dbraw/zinc/91/65/01/1021916501.db2.gz ZVGJFGKYMNNBDK-SFHVURJKSA-N 2 1 378.520 3.997 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000678285740 1021916505 /nfs/dbraw/zinc/91/65/05/1021916505.db2.gz ZVGJFGKYMNNBDK-SFHVURJKSA-N 2 1 378.520 3.997 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001140524763 1021918845 /nfs/dbraw/zinc/91/88/45/1021918845.db2.gz SVHURYWEVUIGQE-RTBURBONSA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001140524763 1021918847 /nfs/dbraw/zinc/91/88/47/1021918847.db2.gz SVHURYWEVUIGQE-RTBURBONSA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001140524763 1021918851 /nfs/dbraw/zinc/91/88/51/1021918851.db2.gz SVHURYWEVUIGQE-RTBURBONSA-N 2 1 384.545 3.879 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC001228629765 1033020095 /nfs/dbraw/zinc/02/00/95/1033020095.db2.gz YQTQAADZTNYKCK-QWFCFKBJSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001228629765 1033020110 /nfs/dbraw/zinc/02/01/10/1033020110.db2.gz YQTQAADZTNYKCK-QWFCFKBJSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001228629765 1033020123 /nfs/dbraw/zinc/02/01/23/1033020123.db2.gz YQTQAADZTNYKCK-QWFCFKBJSA-N 2 1 392.613 3.503 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2c(C)nn(C)c2C)CC3)c1 ZINC001203056953 1022227557 /nfs/dbraw/zinc/22/75/57/1022227557.db2.gz FFVVXYDSJWJWML-UHFFFAOYSA-N 2 1 382.552 3.534 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)[nH]1 ZINC001140685690 1022260525 /nfs/dbraw/zinc/26/05/25/1022260525.db2.gz CKFKRVNERLAWDO-FQEVSTJZSA-N 2 1 385.508 3.661 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)[nH]1 ZINC001140685691 1022261051 /nfs/dbraw/zinc/26/10/51/1022261051.db2.gz CKFKRVNERLAWDO-HXUWFJFHSA-N 2 1 385.508 3.661 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001140780057 1022506585 /nfs/dbraw/zinc/50/65/85/1022506585.db2.gz LEQFFJYSUCWYGV-PUHATCMVSA-N 2 1 382.527 3.706 20 0 GHADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001140780057 1022506600 /nfs/dbraw/zinc/50/66/00/1022506600.db2.gz LEQFFJYSUCWYGV-PUHATCMVSA-N 2 1 382.527 3.706 20 0 GHADMP Cc1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001140780057 1022506606 /nfs/dbraw/zinc/50/66/06/1022506606.db2.gz LEQFFJYSUCWYGV-PUHATCMVSA-N 2 1 382.527 3.706 20 0 GHADMP Cc1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001140780057 1022506617 /nfs/dbraw/zinc/50/66/17/1022506617.db2.gz LEQFFJYSUCWYGV-PUHATCMVSA-N 2 1 382.527 3.706 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001140803864 1022575401 /nfs/dbraw/zinc/57/54/01/1022575401.db2.gz ZFCOQRIJQCRWPY-XZOQPEGZSA-N 2 1 392.503 3.546 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001140803864 1022575410 /nfs/dbraw/zinc/57/54/10/1022575410.db2.gz ZFCOQRIJQCRWPY-XZOQPEGZSA-N 2 1 392.503 3.546 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC001204756760 1033068073 /nfs/dbraw/zinc/06/80/73/1033068073.db2.gz OKQWCBOMJJGEDO-JWQCQUIFSA-N 2 1 377.576 3.930 20 0 GHADMP CN(Cc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001140975023 1023057140 /nfs/dbraw/zinc/05/71/40/1023057140.db2.gz BHFZQKFKQFTOOE-DEOSSOPVSA-N 2 1 392.591 3.535 20 0 GHADMP C[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001140975023 1023057151 /nfs/dbraw/zinc/05/71/51/1023057151.db2.gz BHFZQKFKQFTOOE-DEOSSOPVSA-N 2 1 392.591 3.535 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001140975023 1023057161 /nfs/dbraw/zinc/05/71/61/1023057161.db2.gz BHFZQKFKQFTOOE-DEOSSOPVSA-N 2 1 392.591 3.535 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3c(=O)sc4c3CC[C@H](C(C)(C)C)C4)C2)CC1 ZINC000755780879 1023374617 /nfs/dbraw/zinc/37/46/17/1023374617.db2.gz QOLCZLPODIKEFR-MSOLQXFVSA-N 2 1 391.625 3.682 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3c(=O)sc4c3CC[C@H](C(C)(C)C)C4)C2)CC1 ZINC000755780879 1023374623 /nfs/dbraw/zinc/37/46/23/1023374623.db2.gz QOLCZLPODIKEFR-MSOLQXFVSA-N 2 1 391.625 3.682 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ccc1Cl ZINC001141233042 1024229368 /nfs/dbraw/zinc/22/93/68/1024229368.db2.gz CSYHHGIHGJGDOK-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC001141366734 1024735496 /nfs/dbraw/zinc/73/54/96/1024735496.db2.gz ZOIXDDBPJSPIGG-NHCUHLMSSA-N 2 1 389.609 3.925 20 0 GHADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)cc2c1 ZINC001138416231 1024804443 /nfs/dbraw/zinc/80/44/43/1024804443.db2.gz VCWLESOPHDQLQZ-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)cc2c1 ZINC001138416231 1024804457 /nfs/dbraw/zinc/80/44/57/1024804457.db2.gz VCWLESOPHDQLQZ-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1ccc2[nH]c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)cc2c1 ZINC001138416231 1024804470 /nfs/dbraw/zinc/80/44/70/1024804470.db2.gz VCWLESOPHDQLQZ-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c(C)s1 ZINC001138566330 1025036766 /nfs/dbraw/zinc/03/67/66/1025036766.db2.gz IXYQNMUUFIDFRF-UHFFFAOYSA-N 2 1 385.577 3.875 20 0 GHADMP CC(C)(C)c1n[nH]cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001138576967 1025055675 /nfs/dbraw/zinc/05/56/75/1025055675.db2.gz JHFCLRMFJUURIJ-UHFFFAOYSA-N 2 1 388.581 3.636 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1N1CCCCC1)C2 ZINC001138606121 1025093886 /nfs/dbraw/zinc/09/38/86/1025093886.db2.gz HYNJURZNPCTJOH-ZCYQVOJMSA-N 2 1 397.607 3.857 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001138606121 1025093896 /nfs/dbraw/zinc/09/38/96/1025093896.db2.gz HYNJURZNPCTJOH-ZCYQVOJMSA-N 2 1 397.607 3.857 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001138606121 1025093908 /nfs/dbraw/zinc/09/39/08/1025093908.db2.gz HYNJURZNPCTJOH-ZCYQVOJMSA-N 2 1 397.607 3.857 20 0 GHADMP Cn1ccc(C[N@@H+]2CCCC23CCN(Cc2ccccc2N2CCCC2)CC3)n1 ZINC001138612241 1025103025 /nfs/dbraw/zinc/10/30/25/1025103025.db2.gz LYXQOQKEWSDWDE-UHFFFAOYSA-N 2 1 393.579 3.651 20 0 GHADMP CCSc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001138657607 1025174550 /nfs/dbraw/zinc/17/45/50/1025174550.db2.gz JTXYITPYQTXUQM-LEWJYISDSA-N 2 1 382.577 3.933 20 0 GHADMP CCSc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001138657607 1025174551 /nfs/dbraw/zinc/17/45/51/1025174551.db2.gz JTXYITPYQTXUQM-LEWJYISDSA-N 2 1 382.577 3.933 20 0 GHADMP CCSc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001138657607 1025174555 /nfs/dbraw/zinc/17/45/55/1025174555.db2.gz JTXYITPYQTXUQM-LEWJYISDSA-N 2 1 382.577 3.933 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)CCCO5)CC3)C2)cc1 ZINC001138716063 1025240102 /nfs/dbraw/zinc/24/01/02/1025240102.db2.gz YQXWDZXVLYGREW-UHFFFAOYSA-N 2 1 392.543 3.879 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001138773938 1025346066 /nfs/dbraw/zinc/34/60/66/1025346066.db2.gz TYHNTSLJKXTDEG-QHCPKHFHSA-N 2 1 381.564 3.723 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001138773938 1025346080 /nfs/dbraw/zinc/34/60/80/1025346080.db2.gz TYHNTSLJKXTDEG-QHCPKHFHSA-N 2 1 381.564 3.723 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001138773938 1025346093 /nfs/dbraw/zinc/34/60/93/1025346093.db2.gz TYHNTSLJKXTDEG-QHCPKHFHSA-N 2 1 381.564 3.723 20 0 GHADMP CCCCOc1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001138956920 1025655089 /nfs/dbraw/zinc/65/50/89/1025655089.db2.gz SYFNJSGYEAIUET-UHFFFAOYSA-N 2 1 382.552 3.716 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001138983850 1025717530 /nfs/dbraw/zinc/71/75/30/1025717530.db2.gz CQJOZDMWGMJIKV-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)Oc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001138983850 1025717548 /nfs/dbraw/zinc/71/75/48/1025717548.db2.gz CQJOZDMWGMJIKV-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cnc2c1ccn2COCC[Si](C)(C)C ZINC001162456604 1025753904 /nfs/dbraw/zinc/75/39/04/1025753904.db2.gz XMXOGBIEUGRDJP-SJORKVTESA-N 2 1 389.620 3.791 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606195 1025760123 /nfs/dbraw/zinc/76/01/23/1025760123.db2.gz AJAKPUKFVHELOM-GOSISDBHSA-N 2 1 397.519 3.530 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccccc2OCC2CC2)[C@H](c2ccccc2)C1 ZINC001461034591 1069348627 /nfs/dbraw/zinc/34/86/27/1069348627.db2.gz JMYJWIBCIPAWKL-DEOSSOPVSA-N 2 1 393.575 3.944 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(NC[C@@H]3CC[NH2+]C[C@@H]3F)c2c1C ZINC001162808912 1025925606 /nfs/dbraw/zinc/92/56/06/1025925606.db2.gz UHSFLRVHEYPMCT-HOTGVXAUSA-N 2 1 391.560 3.654 20 0 GHADMP CCn1ccc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COC)C3)cc21 ZINC001139121779 1025934219 /nfs/dbraw/zinc/93/42/19/1025934219.db2.gz BHAIZPMYBYPUDM-VWNXMTODSA-N 2 1 381.564 3.842 20 0 GHADMP CCn1ccc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)cc21 ZINC001139121779 1025934222 /nfs/dbraw/zinc/93/42/22/1025934222.db2.gz BHAIZPMYBYPUDM-VWNXMTODSA-N 2 1 381.564 3.842 20 0 GHADMP CCn1ccc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)cc21 ZINC001139121779 1025934227 /nfs/dbraw/zinc/93/42/27/1025934227.db2.gz BHAIZPMYBYPUDM-VWNXMTODSA-N 2 1 381.564 3.842 20 0 GHADMP CCc1ccc([C@H]2CN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)CC[NH2+]2)cc1 ZINC001139138702 1025952173 /nfs/dbraw/zinc/95/21/73/1025952173.db2.gz MNRODLVNKOVONZ-OAQYLSRUSA-N 2 1 376.504 3.640 20 0 GHADMP Cc1cc(Cl)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162928295 1025970341 /nfs/dbraw/zinc/97/03/41/1025970341.db2.gz IPPASVDIECDOLF-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP Cc1c2cc[nH]c2ncc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933768 1025972407 /nfs/dbraw/zinc/97/24/07/1025972407.db2.gz HYMQGPDPFGOSLN-FQEVSTJZSA-N 2 1 389.547 3.737 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc(C4CC4)nc3)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940672 1025977437 /nfs/dbraw/zinc/97/74/37/1025977437.db2.gz KCCDUFKJHXIBOK-NRFANRHFSA-N 2 1 376.548 3.873 20 0 GHADMP COCC[N@@H+](C)Cc1ccnc(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)c1 ZINC001163032757 1026014909 /nfs/dbraw/zinc/01/49/09/1026014909.db2.gz YUMKEXABEKTNKC-QFIPXVFZSA-N 2 1 394.563 3.646 20 0 GHADMP Cc1c[nH+]ccc1OC1CC[NH+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000839582272 1026079494 /nfs/dbraw/zinc/07/94/94/1026079494.db2.gz CEVAAECFZRTXAW-GOSISDBHSA-N 2 1 389.540 3.880 20 0 GHADMP Fc1ccc(-c2cc3cc[nH+]c(NC[C@@H]4CO[C@@]5(C4)CCC[NH2+]C5)c3[nH]2)cc1 ZINC001163278911 1026121277 /nfs/dbraw/zinc/12/12/77/1026121277.db2.gz LHEXHBJBUUAWEM-IVZQSRNASA-N 2 1 380.467 3.940 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)s2)CC1 ZINC001139322993 1026182092 /nfs/dbraw/zinc/18/20/92/1026182092.db2.gz BQRRTQKCBSGGMK-MRXNPFEDSA-N 2 1 376.957 3.538 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)s2)CC1 ZINC001139322993 1026182098 /nfs/dbraw/zinc/18/20/98/1026182098.db2.gz BQRRTQKCBSGGMK-MRXNPFEDSA-N 2 1 376.957 3.538 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001139361539 1026236920 /nfs/dbraw/zinc/23/69/20/1026236920.db2.gz MACKHIYGOWCOEU-GOTSBHOMSA-N 2 1 383.580 3.779 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(-c5cnccn5)cc4)C[C@H]3C2)c1 ZINC001139387811 1026254463 /nfs/dbraw/zinc/25/44/63/1026254463.db2.gz RZCAOJHKCLKAEN-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc(-c5cnccn5)cc4)C[C@H]3C2)c1 ZINC001139387811 1026254479 /nfs/dbraw/zinc/25/44/79/1026254479.db2.gz RZCAOJHKCLKAEN-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(-c5cnccn5)cc4)C[C@H]3C2)c1 ZINC001139387811 1026254489 /nfs/dbraw/zinc/25/44/89/1026254489.db2.gz RZCAOJHKCLKAEN-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(-c5cnccn5)cc4)C[C@H]3C2)c1 ZINC001139387811 1026254502 /nfs/dbraw/zinc/25/45/02/1026254502.db2.gz RZCAOJHKCLKAEN-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2-n2cncn2)CC3)c1 ZINC001139420589 1026291140 /nfs/dbraw/zinc/29/11/40/1026291140.db2.gz YOPWRGDHIXBUMZ-UHFFFAOYSA-N 2 1 393.560 3.817 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001139515015 1026371180 /nfs/dbraw/zinc/37/11/80/1026371180.db2.gz CKPMLLKODVNUPY-UHFFFAOYSA-N 2 1 398.554 3.962 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001139515015 1026371191 /nfs/dbraw/zinc/37/11/91/1026371191.db2.gz CKPMLLKODVNUPY-UHFFFAOYSA-N 2 1 398.554 3.962 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC[C@@H]1O ZINC001139514878 1026371451 /nfs/dbraw/zinc/37/14/51/1026371451.db2.gz VTDPOUTUFJNOAG-OFVILXPXSA-N 2 1 393.575 3.602 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC001164475391 1026521236 /nfs/dbraw/zinc/52/12/36/1026521236.db2.gz ZOVUSDHOQHFKRW-XJKSGUPXSA-N 2 1 375.586 3.714 20 0 GHADMP [NH3+][C@@H]1CCN(Cc2cccc(N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)c2)C1 ZINC001164499951 1026536563 /nfs/dbraw/zinc/53/65/63/1026536563.db2.gz WCUDIYFXKQXFSL-WMMXXEOUSA-N 2 1 390.575 3.542 20 0 GHADMP Cn1c(=O)cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC001139755572 1026595522 /nfs/dbraw/zinc/59/55/22/1026595522.db2.gz QZSXIOSCPYYTFD-UHFFFAOYSA-N 2 1 375.516 3.635 20 0 GHADMP Cn1c(=O)cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC001139755572 1026595530 /nfs/dbraw/zinc/59/55/30/1026595530.db2.gz QZSXIOSCPYYTFD-UHFFFAOYSA-N 2 1 375.516 3.635 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001165202600 1026664854 /nfs/dbraw/zinc/66/48/54/1026664854.db2.gz VWQGMTBPUFVRIQ-IRXDYDNUSA-N 2 1 399.970 3.696 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001165323002 1026703990 /nfs/dbraw/zinc/70/39/90/1026703990.db2.gz HQTQAWBAYFLZPW-NRFANRHFSA-N 2 1 393.510 3.977 20 0 GHADMP C[C@@H]1CCCCN1c1cccc(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC001165368389 1026713694 /nfs/dbraw/zinc/71/36/94/1026713694.db2.gz TYJUPLBAUUZKTR-LJQANCHMSA-N 2 1 380.536 3.905 20 0 GHADMP CN(CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001203005837 1026914084 /nfs/dbraw/zinc/91/40/84/1026914084.db2.gz PXELUHBZNMFHSA-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001203005837 1026914095 /nfs/dbraw/zinc/91/40/95/1026914095.db2.gz PXELUHBZNMFHSA-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001203005837 1026914098 /nfs/dbraw/zinc/91/40/98/1026914098.db2.gz PXELUHBZNMFHSA-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001461168363 1069423669 /nfs/dbraw/zinc/42/36/69/1069423669.db2.gz BAWNXOBANDHIBD-QUCCMNQESA-N 2 1 375.557 3.921 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(C)cc1O ZINC001140199160 1026971987 /nfs/dbraw/zinc/97/19/87/1026971987.db2.gz IEUWBGVKMGUVNV-QFIPXVFZSA-N 2 1 395.547 3.660 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(C)cc1O ZINC001140201102 1026975649 /nfs/dbraw/zinc/97/56/49/1026975649.db2.gz ULECIYDVXUQXFT-NOZRDPDXSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)cc1O ZINC001140201102 1026975652 /nfs/dbraw/zinc/97/56/52/1026975652.db2.gz ULECIYDVXUQXFT-NOZRDPDXSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)cc1O ZINC001140201102 1026975657 /nfs/dbraw/zinc/97/56/57/1026975657.db2.gz ULECIYDVXUQXFT-NOZRDPDXSA-N 2 1 398.591 3.970 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)C3(CCC3)[C@@H]2c2cccnc2)CC1 ZINC000840044704 1027110936 /nfs/dbraw/zinc/11/09/36/1027110936.db2.gz RGRMQSPUDLYONV-QFIPXVFZSA-N 2 1 398.595 3.927 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@]2(CCCC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209729534 1027125264 /nfs/dbraw/zinc/12/52/64/1027125264.db2.gz NIKSZQZHLMYZQY-QFIPXVFZSA-N 2 1 388.556 3.887 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@]2(CCCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209729534 1027125273 /nfs/dbraw/zinc/12/52/73/1027125273.db2.gz NIKSZQZHLMYZQY-QFIPXVFZSA-N 2 1 388.556 3.887 20 0 GHADMP C[C@H]1[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001141775452 1027214070 /nfs/dbraw/zinc/21/40/70/1027214070.db2.gz PGLNPZPMUKTXDY-FDDCHVKYSA-N 2 1 386.499 3.640 20 0 GHADMP CCCCn1c([C@@H](CC)[NH+](C)C)nn(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1=S ZINC000840151633 1027282680 /nfs/dbraw/zinc/28/26/80/1027282680.db2.gz IPATTYICMOPATN-QZTJIDSGSA-N 2 1 396.649 3.599 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203786488 1027604348 /nfs/dbraw/zinc/60/43/48/1027604348.db2.gz ZKRMPYMGWYROMP-JOCHJYFZSA-N 2 1 383.511 3.724 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203890549 1027685590 /nfs/dbraw/zinc/68/55/90/1027685590.db2.gz JCQMREVCQPNUFB-HXUWFJFHSA-N 2 1 385.577 3.955 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203890549 1027685598 /nfs/dbraw/zinc/68/55/98/1027685598.db2.gz JCQMREVCQPNUFB-HXUWFJFHSA-N 2 1 385.577 3.955 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001210970658 1027727957 /nfs/dbraw/zinc/72/79/57/1027727957.db2.gz OVKLVCFURCTQJN-WOJBJXKFSA-N 2 1 388.600 3.696 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203953903 1027748199 /nfs/dbraw/zinc/74/81/99/1027748199.db2.gz USGFKGVAAVYYET-GOTSBHOMSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203953903 1027748218 /nfs/dbraw/zinc/74/82/18/1027748218.db2.gz USGFKGVAAVYYET-GOTSBHOMSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001203953903 1027748240 /nfs/dbraw/zinc/74/82/40/1027748240.db2.gz USGFKGVAAVYYET-GOTSBHOMSA-N 2 1 378.516 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC([NH2+]CC3(CN4CCOCC4)CCCCC3)CC2)cc1 ZINC001461282997 1069479618 /nfs/dbraw/zinc/47/96/18/1069479618.db2.gz CTCFJAPCLSKLRO-UHFFFAOYSA-N 2 1 385.596 3.523 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccc3ccccc31)CCC2 ZINC001203983150 1027777673 /nfs/dbraw/zinc/77/76/73/1027777673.db2.gz DPXJCEDZDZYJMX-UHFFFAOYSA-N 2 1 390.531 3.644 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccc3ccccc31)CCC2 ZINC001203983150 1027777692 /nfs/dbraw/zinc/77/76/92/1027777692.db2.gz DPXJCEDZDZYJMX-UHFFFAOYSA-N 2 1 390.531 3.644 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)ccc1OCc1ccc(F)cc1 ZINC001204089774 1027866711 /nfs/dbraw/zinc/86/67/11/1027866711.db2.gz QOOCNDHSOVZVEM-HMXCVIKNSA-N 2 1 384.495 3.843 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc(OCC[NH3+])c3)cc2)C1 ZINC000841290141 1028375964 /nfs/dbraw/zinc/37/59/64/1028375964.db2.gz BYOFRWBCPNPGKZ-SFHVURJKSA-N 2 1 396.535 3.578 20 0 GHADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001142359698 1028743447 /nfs/dbraw/zinc/74/34/47/1028743447.db2.gz OWOUUCDVZVJOTD-VJBWXMMDSA-N 2 1 381.568 3.604 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001142359698 1028743463 /nfs/dbraw/zinc/74/34/63/1028743463.db2.gz OWOUUCDVZVJOTD-VJBWXMMDSA-N 2 1 381.568 3.604 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001142359698 1028743482 /nfs/dbraw/zinc/74/34/82/1028743482.db2.gz OWOUUCDVZVJOTD-VJBWXMMDSA-N 2 1 381.568 3.604 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)cc1 ZINC001142359698 1028743500 /nfs/dbraw/zinc/74/35/00/1028743500.db2.gz OWOUUCDVZVJOTD-VJBWXMMDSA-N 2 1 381.568 3.604 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](C(=O)OCc2ccccc2)c2ccccc2)CC1(C)C ZINC001461436287 1069548835 /nfs/dbraw/zinc/54/88/35/1069548835.db2.gz JCVGMLITCPAWBI-YADHBBJMSA-N 2 1 380.532 3.976 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842684851 1029491188 /nfs/dbraw/zinc/49/11/88/1029491188.db2.gz PTSLOIAXYBACRO-CEXWTWQISA-N 2 1 376.545 3.597 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC001142906520 1029668727 /nfs/dbraw/zinc/66/87/27/1029668727.db2.gz PFOCRZDNUCJDDN-UHFFFAOYSA-N 2 1 392.543 3.890 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+](C)C2CCC([NH3+])CC2)cs1)c1ccc(F)cc1 ZINC000843055151 1029790311 /nfs/dbraw/zinc/79/03/11/1029790311.db2.gz UMCVLJDXVJWRDF-UHFFFAOYSA-N 2 1 376.501 3.669 20 0 GHADMP CC(=O)N(c1nc(C[N@H+](C)C2CCC([NH3+])CC2)cs1)c1ccc(F)cc1 ZINC000843055151 1029790317 /nfs/dbraw/zinc/79/03/17/1029790317.db2.gz UMCVLJDXVJWRDF-UHFFFAOYSA-N 2 1 376.501 3.669 20 0 GHADMP CN1c2ccc(C[N@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)cc2CCC1=O ZINC000843106823 1029811827 /nfs/dbraw/zinc/81/18/27/1029811827.db2.gz COCSMQZWQPORBU-LADGPHEKSA-N 2 1 391.559 3.768 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167592 1029985835 /nfs/dbraw/zinc/98/58/35/1029985835.db2.gz OTQPKTIQVVMIAF-NRFANRHFSA-N 3 1 376.614 3.664 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222167592 1029985840 /nfs/dbraw/zinc/98/58/40/1029985840.db2.gz OTQPKTIQVVMIAF-NRFANRHFSA-N 2 1 376.614 3.664 20 0 GHADMP Clc1nc2[nH]cc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2c(Cl)n1 ZINC001222172516 1029988101 /nfs/dbraw/zinc/98/81/01/1029988101.db2.gz LSQGINWEYZDBPP-SFHVURJKSA-N 2 1 382.339 3.962 20 0 GHADMP Clc1nc2[nH]cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)c2c(Cl)n1 ZINC001222172516 1029988102 /nfs/dbraw/zinc/98/81/02/1029988102.db2.gz LSQGINWEYZDBPP-SFHVURJKSA-N 2 1 382.339 3.962 20 0 GHADMP Brc1ccc(-c2ccc(C[N@@H+]3CCOC4(CC[NH2+]CC4)C3)o2)cc1 ZINC001222181346 1029990661 /nfs/dbraw/zinc/99/06/61/1029990661.db2.gz CIFYQAUPZJSDRB-UHFFFAOYSA-N 2 1 391.309 3.664 20 0 GHADMP Brc1ccc(-c2ccc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)o2)cc1 ZINC001222181346 1029990669 /nfs/dbraw/zinc/99/06/69/1029990669.db2.gz CIFYQAUPZJSDRB-UHFFFAOYSA-N 2 1 391.309 3.664 20 0 GHADMP Cc1cc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc(C)c1OCc1ccccc1 ZINC001222186270 1029993385 /nfs/dbraw/zinc/99/33/85/1029993385.db2.gz BWZGTEKGDKOBBN-UHFFFAOYSA-N 2 1 380.532 3.837 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222407426 1030111089 /nfs/dbraw/zinc/11/10/89/1030111089.db2.gz ICSWTEMBRPZLHM-UHFFFAOYSA-N 2 1 379.548 3.965 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407398 1030111147 /nfs/dbraw/zinc/11/11/47/1030111147.db2.gz HTAVJGWILDNLLC-UHFFFAOYSA-N 2 1 385.939 3.912 20 0 GHADMP FC(F)(F)c1cc(Cl)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(Cl)c1 ZINC001222511500 1030174798 /nfs/dbraw/zinc/17/47/98/1030174798.db2.gz YUIGIJQUPIBCJU-GJZGRUSLSA-N 2 1 382.257 3.538 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)s2)c1 ZINC001222511027 1030174960 /nfs/dbraw/zinc/17/49/60/1030174960.db2.gz KSCANJSNZQLDJK-ROUUACIJSA-N 2 1 395.494 3.960 20 0 GHADMP CC1(C)C[C@H](C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CCO1 ZINC001222576213 1030207060 /nfs/dbraw/zinc/20/70/60/1030207060.db2.gz RWYPQIQYQHSSBC-YADHBBJMSA-N 2 1 386.580 3.995 20 0 GHADMP Clc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1-n1cccn1 ZINC001222608971 1030232077 /nfs/dbraw/zinc/23/20/77/1030232077.db2.gz KBLKVWKPSKBRSP-IBGZPJMESA-N 2 1 378.907 3.715 20 0 GHADMP Clc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1-n1cccn1 ZINC001222608971 1030232093 /nfs/dbraw/zinc/23/20/93/1030232093.db2.gz KBLKVWKPSKBRSP-IBGZPJMESA-N 2 1 378.907 3.715 20 0 GHADMP Clc1ccc(Cn2cc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)c3ccccc32)cn1 ZINC001222620739 1030244957 /nfs/dbraw/zinc/24/49/57/1030244957.db2.gz YWXXMCDSRGHYLK-FXAWDEMLSA-N 2 1 380.923 3.922 20 0 GHADMP Cc1cc(C)n(Cc2ccc(-c3nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o3)cc2)n1 ZINC001217753301 1030643022 /nfs/dbraw/zinc/64/30/22/1030643022.db2.gz YBVFJANPVYKBNC-FQEVSTJZSA-N 2 1 396.539 3.766 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001217967006 1030694077 /nfs/dbraw/zinc/69/40/77/1030694077.db2.gz KHQYQFWCUILBMM-CJFMBICVSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001217967006 1030694081 /nfs/dbraw/zinc/69/40/81/1030694081.db2.gz KHQYQFWCUILBMM-CJFMBICVSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001217967006 1030694088 /nfs/dbraw/zinc/69/40/88/1030694088.db2.gz KHQYQFWCUILBMM-CJFMBICVSA-N 3 1 393.575 3.899 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001218410515 1030927521 /nfs/dbraw/zinc/92/75/21/1030927521.db2.gz CUXPBHYVTDEHPP-UXHICEINSA-N 2 1 388.895 3.556 20 0 GHADMP [NH3+]C1CCN(Cc2ccccc2O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001218410720 1030927717 /nfs/dbraw/zinc/92/77/17/1030927717.db2.gz LDGPTMOKXRVNHD-OAQYLSRUSA-N 2 1 399.966 3.916 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001224470201 1031019196 /nfs/dbraw/zinc/01/91/96/1031019196.db2.gz CETSWPUKPXZVIK-HSZRJFAPSA-N 2 1 398.595 3.605 20 0 GHADMP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)Cc2ccccc2C1 ZINC001218847360 1031111809 /nfs/dbraw/zinc/11/18/09/1031111809.db2.gz IIFLETCOYFQARL-UHFFFAOYSA-N 2 1 383.495 3.637 20 0 GHADMP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)Cc2ccccc2C1 ZINC001218847360 1031111823 /nfs/dbraw/zinc/11/18/23/1031111823.db2.gz IIFLETCOYFQARL-UHFFFAOYSA-N 2 1 383.495 3.637 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001224900923 1031168982 /nfs/dbraw/zinc/16/89/82/1031168982.db2.gz WIDXXALSGOPBBU-NNWRFLSQSA-N 2 1 386.584 3.632 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)C1CCCCC1 ZINC001219023851 1031218937 /nfs/dbraw/zinc/21/89/37/1031218937.db2.gz LMXSVXHBFVECIT-RDPSFJRHSA-N 2 1 399.579 3.938 20 0 GHADMP C[NH2+]C1CCC(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)CC1 ZINC001219047165 1031229730 /nfs/dbraw/zinc/22/97/30/1031229730.db2.gz REIROJWIRDPLQA-GZNCHQMQSA-N 2 1 377.532 3.981 20 0 GHADMP O=C(Nc1cccc2cc[nH]c21)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219110084 1031256327 /nfs/dbraw/zinc/25/63/27/1031256327.db2.gz LOGOSNOYDUHBIB-HYBUGGRVSA-N 2 1 388.515 3.608 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001220062307 1031761725 /nfs/dbraw/zinc/76/17/25/1031761725.db2.gz UKVLIHFHPNNSOU-CVDCTZTESA-N 2 1 379.548 3.604 20 0 GHADMP CC(C)c1cc(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)ccc1Cl ZINC001277103368 1031817583 /nfs/dbraw/zinc/81/75/83/1031817583.db2.gz JAAMPQJICMKLAA-OAQYLSRUSA-N 2 1 377.960 3.592 20 0 GHADMP CC(C)c1cc(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)ccc1Cl ZINC001277103368 1031817594 /nfs/dbraw/zinc/81/75/94/1031817594.db2.gz JAAMPQJICMKLAA-OAQYLSRUSA-N 2 1 377.960 3.592 20 0 GHADMP COc1cccc(OC)c1CNc1ccc(N2CC[NH+](C)CC2)c2cc[nH+]cc12 ZINC001461822790 1069772354 /nfs/dbraw/zinc/77/23/54/1069772354.db2.gz NOMFPUIEOLNTSY-UHFFFAOYSA-N 2 1 392.503 3.616 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCCC1 ZINC001220477696 1031957644 /nfs/dbraw/zinc/95/76/44/1031957644.db2.gz MHOWWOZOWKXLLP-NRFANRHFSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001220552735 1031987180 /nfs/dbraw/zinc/98/71/80/1031987180.db2.gz VFHIFNOUUCZBOB-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccc(Cl)cc1 ZINC001220633423 1032032188 /nfs/dbraw/zinc/03/21/88/1032032188.db2.gz FQXOGCDWJAEBMU-HXUWFJFHSA-N 2 1 394.991 3.897 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc(OCc2ccccc2)c1OC ZINC001205289472 1033342222 /nfs/dbraw/zinc/34/22/22/1033342222.db2.gz YCGDTARSGNHQNI-HSZRJFAPSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(OCc2ccccc2)c1OC ZINC001205289472 1033342237 /nfs/dbraw/zinc/34/22/37/1033342237.db2.gz YCGDTARSGNHQNI-HSZRJFAPSA-N 2 1 384.520 3.986 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001229274518 1033384950 /nfs/dbraw/zinc/38/49/50/1033384950.db2.gz BDVUTZSFUGOBIX-NRFANRHFSA-N 2 1 390.616 3.691 20 0 GHADMP Cc1ccc(F)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001205623821 1033497484 /nfs/dbraw/zinc/49/74/84/1033497484.db2.gz GSHNFOHLQIYTMN-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c2c1C ZINC001157273051 1033505088 /nfs/dbraw/zinc/50/50/88/1033505088.db2.gz VCOUGWAKADDURK-MSOLQXFVSA-N 2 1 399.608 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@H]4CCC[N@H+](C)[C@H]4C3)c2c1C ZINC001157273051 1033505100 /nfs/dbraw/zinc/50/51/00/1033505100.db2.gz VCOUGWAKADDURK-MSOLQXFVSA-N 2 1 399.608 3.824 20 0 GHADMP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC001205681614 1033528681 /nfs/dbraw/zinc/52/86/81/1033528681.db2.gz KYWOCXQLIPVPHZ-QGZVFWFLSA-N 2 1 385.455 3.505 20 0 GHADMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)C1 ZINC001205681614 1033528688 /nfs/dbraw/zinc/52/86/88/1033528688.db2.gz KYWOCXQLIPVPHZ-QGZVFWFLSA-N 2 1 385.455 3.505 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2csc3ccccc23)[C@@H](c2ccccc2)C1 ZINC001157495683 1033619397 /nfs/dbraw/zinc/61/93/97/1033619397.db2.gz KNNUMCMGNGYIKU-PZJWPPBQSA-N 2 1 393.556 3.677 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2csc3ccccc23)[C@@H](c2ccccc2)C1 ZINC001157495683 1033619408 /nfs/dbraw/zinc/61/94/08/1033619408.db2.gz KNNUMCMGNGYIKU-PZJWPPBQSA-N 2 1 393.556 3.677 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(OCc2ccccc2)cc1OC ZINC001205905247 1033629209 /nfs/dbraw/zinc/62/92/09/1033629209.db2.gz ZMJQWBMKVXENQB-PKOBYXMFSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c(OCc2ccccc2)cc1OC ZINC001205905247 1033629213 /nfs/dbraw/zinc/62/92/13/1033629213.db2.gz ZMJQWBMKVXENQB-PKOBYXMFSA-N 2 1 384.520 3.842 20 0 GHADMP Cc1nc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)s1 ZINC001206158410 1033746594 /nfs/dbraw/zinc/74/65/94/1033746594.db2.gz IEPLXBZCEAGEDV-KRWDZBQOSA-N 2 1 375.538 3.608 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3cccn3)c(Br)c2)CC1 ZINC001206327854 1033798565 /nfs/dbraw/zinc/79/85/65/1033798565.db2.gz YYWCCCZPFSXZNY-SFHVURJKSA-N 2 1 377.330 3.586 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)C1 ZINC001206584509 1033915523 /nfs/dbraw/zinc/91/55/23/1033915523.db2.gz ZNMGRWCVWXQAQJ-QHCPKHFHSA-N 2 1 382.504 3.945 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)C1 ZINC001206584509 1033915524 /nfs/dbraw/zinc/91/55/24/1033915524.db2.gz ZNMGRWCVWXQAQJ-QHCPKHFHSA-N 2 1 382.504 3.945 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206728381 1033959249 /nfs/dbraw/zinc/95/92/49/1033959249.db2.gz WJUJXMMARBLENZ-DEOSSOPVSA-N 2 1 394.559 3.982 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206728381 1033959253 /nfs/dbraw/zinc/95/92/53/1033959253.db2.gz WJUJXMMARBLENZ-DEOSSOPVSA-N 2 1 394.559 3.982 20 0 GHADMP O=C(c1ccc(OCc2ccccc2)cc1)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC001206809945 1033993550 /nfs/dbraw/zinc/99/35/50/1033993550.db2.gz MNPNZSCKMAPXCM-HXUWFJFHSA-N 2 1 378.516 3.770 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(OCc2ccccc2)c1OC ZINC001206811519 1033994845 /nfs/dbraw/zinc/99/48/45/1033994845.db2.gz VZFQTAJGSBTQIJ-HKUYNNGSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc(OCc2ccccc2)c1OC ZINC001206811519 1033994848 /nfs/dbraw/zinc/99/48/48/1033994848.db2.gz VZFQTAJGSBTQIJ-HKUYNNGSSA-N 2 1 384.520 3.842 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001206827397 1034010496 /nfs/dbraw/zinc/01/04/96/1034010496.db2.gz LUTWQCYGFKYKTH-SFHVURJKSA-N 2 1 383.536 3.865 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001206827397 1034010512 /nfs/dbraw/zinc/01/05/12/1034010512.db2.gz LUTWQCYGFKYKTH-SFHVURJKSA-N 2 1 383.536 3.865 20 0 GHADMP C[C@H]([NH3+])c1ccn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)n1 ZINC001158356045 1034041682 /nfs/dbraw/zinc/04/16/82/1034041682.db2.gz MYRBVJJSJLIUFF-KGLIPLIRSA-N 2 1 396.564 3.617 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1nc(Cl)cc(C2CC[NH2+]CC2)n1 ZINC001158524526 1034126940 /nfs/dbraw/zinc/12/69/40/1034126940.db2.gz VWQGMTBPUFVRIQ-IAGOWNOFSA-N 2 1 399.970 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207192573 1034162988 /nfs/dbraw/zinc/16/29/88/1034162988.db2.gz GHIJIBQVLAZLLB-SZPZYZBQSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207192573 1034162997 /nfs/dbraw/zinc/16/29/97/1034162997.db2.gz GHIJIBQVLAZLLB-SZPZYZBQSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001207192573 1034163002 /nfs/dbraw/zinc/16/30/02/1034163002.db2.gz GHIJIBQVLAZLLB-SZPZYZBQSA-N 2 1 399.579 3.697 20 0 GHADMP CC[N@@H+](CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)C1CCCCC1 ZINC001230686843 1034179658 /nfs/dbraw/zinc/17/96/58/1034179658.db2.gz RZQWAMQDBQJTGF-NRFANRHFSA-N 2 1 392.563 3.772 20 0 GHADMP C[NH+](C)CC(C)(C)C[NH+]1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001207282399 1034234603 /nfs/dbraw/zinc/23/46/03/1034234603.db2.gz PTMNPXCRALBJLK-UHFFFAOYSA-N 2 1 383.580 3.755 20 0 GHADMP CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207286318 1034237166 /nfs/dbraw/zinc/23/71/66/1034237166.db2.gz GBZJDCRBKUCPGU-UHFFFAOYSA-N 2 1 399.579 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289551 1034240830 /nfs/dbraw/zinc/24/08/30/1034240830.db2.gz RHAGUABXMCOZTP-FKBYEOEOSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291322 1034242801 /nfs/dbraw/zinc/24/28/01/1034242801.db2.gz NPCGZBZTYQGWSJ-DEOSSOPVSA-N 2 1 383.580 3.622 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001207293984 1034247465 /nfs/dbraw/zinc/24/74/65/1034247465.db2.gz FYISITLNNUHPLH-BJKOFHAPSA-N 2 1 392.543 3.787 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3CCN4CCc5ccccc5[C@H]4C3)CC2)cc1 ZINC001207294369 1034247500 /nfs/dbraw/zinc/24/75/00/1034247500.db2.gz QADYBPPVEFTGNM-RUZDIDTESA-N 2 1 375.560 3.814 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001207295297 1034248866 /nfs/dbraw/zinc/24/88/66/1034248866.db2.gz MAUJGUSKUVHBBB-JOCHJYFZSA-N 2 1 380.536 3.540 20 0 GHADMP CC1(C)C[C@H](C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359489 1034305420 /nfs/dbraw/zinc/30/54/20/1034305420.db2.gz VHWAKYFBOLJJTE-WIYYLYMNSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@H](C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359489 1034305434 /nfs/dbraw/zinc/30/54/34/1034305434.db2.gz VHWAKYFBOLJJTE-WIYYLYMNSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359489 1034305443 /nfs/dbraw/zinc/30/54/43/1034305443.db2.gz VHWAKYFBOLJJTE-WIYYLYMNSA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359489 1034305466 /nfs/dbraw/zinc/30/54/66/1034305466.db2.gz VHWAKYFBOLJJTE-WIYYLYMNSA-N 2 1 393.522 3.820 20 0 GHADMP COC1CC[NH+](C2CC[NH+](CCc3ccc(Br)cc3)CC2)CC1 ZINC001207384273 1034331543 /nfs/dbraw/zinc/33/15/43/1034331543.db2.gz LRJWLVSATLYFPF-UHFFFAOYSA-N 2 1 381.358 3.567 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1cccc(Cl)c1)C2 ZINC001207588744 1034467919 /nfs/dbraw/zinc/46/79/19/1034467919.db2.gz VMLCDKKDHZAIOE-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCc1cccc(Cl)c1)C2 ZINC001207588744 1034467930 /nfs/dbraw/zinc/46/79/30/1034467930.db2.gz VMLCDKKDHZAIOE-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCc1cccc(Cl)c1)C2 ZINC001207588744 1034467943 /nfs/dbraw/zinc/46/79/43/1034467943.db2.gz VMLCDKKDHZAIOE-IRLDBZIGSA-N 2 1 376.972 3.953 20 0 GHADMP CCOC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH]c1C ZINC001461902708 1069862770 /nfs/dbraw/zinc/86/27/70/1069862770.db2.gz QDOAPCQUSODNEY-UHFFFAOYSA-N 2 1 383.536 3.844 20 0 GHADMP COC(=O)c1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418329 1034569605 /nfs/dbraw/zinc/56/96/05/1034569605.db2.gz QTNURBLZEAIGGT-SFTDATJTSA-N 2 1 394.515 3.523 20 0 GHADMP COC(=O)c1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418329 1034569612 /nfs/dbraw/zinc/56/96/12/1034569612.db2.gz QTNURBLZEAIGGT-SFTDATJTSA-N 2 1 394.515 3.523 20 0 GHADMP COC(=O)c1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)ccc1O ZINC001231418329 1034569624 /nfs/dbraw/zinc/56/96/24/1034569624.db2.gz QTNURBLZEAIGGT-SFTDATJTSA-N 2 1 394.515 3.523 20 0 GHADMP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001159391301 1034576016 /nfs/dbraw/zinc/57/60/16/1034576016.db2.gz QPNCLWWBHRQKST-CEWLAPEOSA-N 2 1 393.579 3.804 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c[nH]c3cccnc13)CC2 ZINC001231490456 1034633992 /nfs/dbraw/zinc/63/39/92/1034633992.db2.gz ZKMFQWYTIFGMTF-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231504728 1034648257 /nfs/dbraw/zinc/64/82/57/1034648257.db2.gz BASRPCIEIHOVDF-PMACEKPBSA-N 2 1 386.561 3.727 20 0 GHADMP Fc1cccc(F)c1CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001208119354 1034748161 /nfs/dbraw/zinc/74/81/61/1034748161.db2.gz ZQPWNTZKCKNVKI-UHFFFAOYSA-N 2 1 386.486 3.874 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1C(C)C ZINC001231628320 1034788857 /nfs/dbraw/zinc/78/88/57/1034788857.db2.gz SEGSMHYJCIUZBO-UHFFFAOYSA-N 2 1 396.579 3.978 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc5cc[nH]c5cn4)CC3)C2)cc1 ZINC001231665717 1034820676 /nfs/dbraw/zinc/82/06/76/1034820676.db2.gz CQVLMSVRPJXEKP-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP COc1ncc(F)cc1C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001231741263 1034875217 /nfs/dbraw/zinc/87/52/17/1034875217.db2.gz QWRKGSYMMPBEOZ-UHFFFAOYSA-N 2 1 384.499 3.501 20 0 GHADMP COc1ncc(F)cc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001231741263 1034875222 /nfs/dbraw/zinc/87/52/22/1034875222.db2.gz QWRKGSYMMPBEOZ-UHFFFAOYSA-N 2 1 384.499 3.501 20 0 GHADMP Fc1ccc(OC2CC[NH2+]CC2)c(Nc2cccc(CC[NH+]3CCOCC3)c2)c1 ZINC001160133943 1034877136 /nfs/dbraw/zinc/87/71/36/1034877136.db2.gz AUICGJICTXLGPC-UHFFFAOYSA-N 2 1 399.510 3.575 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(-n3cc4ccc(C[NH3+])cc4n3)c2c1C ZINC001160143473 1034879048 /nfs/dbraw/zinc/87/90/48/1034879048.db2.gz ORQHNJXOJVUDCZ-UHFFFAOYSA-N 2 1 392.532 3.702 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001160150320 1034879568 /nfs/dbraw/zinc/87/95/68/1034879568.db2.gz HSNRNVQNJWCBMX-INIZCTEOSA-N 2 1 381.549 3.974 20 0 GHADMP Fc1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1OC1CC[NH2+]CC1 ZINC001160172535 1034889150 /nfs/dbraw/zinc/88/91/50/1034889150.db2.gz FPTWKYFFZDFLKI-UHFFFAOYSA-N 2 1 385.483 3.532 20 0 GHADMP CSc1ccccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001231784803 1034907952 /nfs/dbraw/zinc/90/79/52/1034907952.db2.gz ODWCRZIFGBXDGL-UHFFFAOYSA-N 2 1 397.588 3.918 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+](Cc1ccc(-c3ccccc3)o1)CCC2 ZINC001231810880 1034923853 /nfs/dbraw/zinc/92/38/53/1034923853.db2.gz ABRAVMGWOINNPM-UHFFFAOYSA-N 2 1 394.519 3.627 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1ccc(-c3ccccc3)o1)CCC2 ZINC001231810880 1034923854 /nfs/dbraw/zinc/92/38/54/1034923854.db2.gz ABRAVMGWOINNPM-UHFFFAOYSA-N 2 1 394.519 3.627 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)C1 ZINC001208609301 1034951825 /nfs/dbraw/zinc/95/18/25/1034951825.db2.gz LIHGEOKTQCDWIJ-WOJBJXKFSA-N 2 1 395.591 3.518 20 0 GHADMP COCCO[C@@H]1CCC2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001208616500 1034954727 /nfs/dbraw/zinc/95/47/27/1034954727.db2.gz ZLJLESNGEFOHIS-NFBKMPQASA-N 2 1 386.580 3.860 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001208634978 1034963370 /nfs/dbraw/zinc/96/33/70/1034963370.db2.gz TZVHOJYCBWBWHT-CWBXHPNXSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001208634978 1034963377 /nfs/dbraw/zinc/96/33/77/1034963377.db2.gz TZVHOJYCBWBWHT-CWBXHPNXSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001208634978 1034963379 /nfs/dbraw/zinc/96/33/79/1034963379.db2.gz TZVHOJYCBWBWHT-CWBXHPNXSA-N 2 1 384.564 3.810 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CC[C@@H](C)CC(C)(C)C)CC[C@@H]21 ZINC001208661631 1034973143 /nfs/dbraw/zinc/97/31/43/1034973143.db2.gz XGDLNPHNWAQVFQ-CGXNFDGLSA-N 2 1 375.605 3.914 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CC[C@@H](C)CC(C)(C)C)CC[C@@H]21 ZINC001208661631 1034973146 /nfs/dbraw/zinc/97/31/46/1034973146.db2.gz XGDLNPHNWAQVFQ-CGXNFDGLSA-N 2 1 375.605 3.914 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CC[C@@H](C)CC(C)(C)C)CC[C@@H]21 ZINC001208661631 1034973154 /nfs/dbraw/zinc/97/31/54/1034973154.db2.gz XGDLNPHNWAQVFQ-CGXNFDGLSA-N 2 1 375.605 3.914 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCC(C)(C)c3ccccc3)CC[C@@H]21 ZINC001208666524 1034974933 /nfs/dbraw/zinc/97/49/33/1034974933.db2.gz OAEIHNPIQSBKPS-PUHATCMVSA-N 2 1 395.595 3.819 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCC(C)(C)c3ccccc3)CC[C@@H]21 ZINC001208666524 1034974936 /nfs/dbraw/zinc/97/49/36/1034974936.db2.gz OAEIHNPIQSBKPS-PUHATCMVSA-N 2 1 395.595 3.819 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCC(C)(C)c3ccccc3)CC[C@@H]21 ZINC001208666524 1034974938 /nfs/dbraw/zinc/97/49/38/1034974938.db2.gz OAEIHNPIQSBKPS-PUHATCMVSA-N 2 1 395.595 3.819 20 0 GHADMP O=C(C1CC[NH+](CCC2CCCC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001208694846 1034982797 /nfs/dbraw/zinc/98/27/97/1034982797.db2.gz CNFATKUCODDSGB-UHFFFAOYSA-N 2 1 383.580 3.623 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)n2)cc1 ZINC001160476390 1034985436 /nfs/dbraw/zinc/98/54/36/1034985436.db2.gz VZDLERHHXWQDEC-LDLYASANSA-N 2 1 381.524 3.549 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)n2)cc1 ZINC001160476390 1034985443 /nfs/dbraw/zinc/98/54/43/1034985443.db2.gz VZDLERHHXWQDEC-LDLYASANSA-N 2 1 381.524 3.549 20 0 GHADMP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001160595376 1035012631 /nfs/dbraw/zinc/01/26/31/1035012631.db2.gz ANSWTHUSZYFIMH-NRFANRHFSA-N 2 1 397.607 3.798 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC001231970225 1035015105 /nfs/dbraw/zinc/01/51/05/1035015105.db2.gz FZQLNMZPHOFBJC-IBGZPJMESA-N 2 1 396.560 3.880 20 0 GHADMP C[C@@]1(CC(=O)N(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC001160680554 1035033103 /nfs/dbraw/zinc/03/31/03/1035033103.db2.gz UNQNZAVTGIOYJT-NOZRDPDXSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCc2ccccc2C1 ZINC001160685225 1035035477 /nfs/dbraw/zinc/03/54/77/1035035477.db2.gz HKBJVCBOIAQKEM-AUSIDOKSSA-N 2 1 391.559 3.672 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@@H+]1CCc2ccccc2C1 ZINC001160685225 1035035485 /nfs/dbraw/zinc/03/54/85/1035035485.db2.gz HKBJVCBOIAQKEM-AUSIDOKSSA-N 2 1 391.559 3.672 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@H+]1CCc2ccccc2C1 ZINC001160685225 1035035493 /nfs/dbraw/zinc/03/54/93/1035035493.db2.gz HKBJVCBOIAQKEM-AUSIDOKSSA-N 2 1 391.559 3.672 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232013233 1035042801 /nfs/dbraw/zinc/04/28/01/1035042801.db2.gz HNIZHAGYYGCVBQ-OAQYLSRUSA-N 2 1 380.517 3.753 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC001208845360 1035054584 /nfs/dbraw/zinc/05/45/84/1035054584.db2.gz JIAVZWZUVKRFPJ-UHFFFAOYSA-N 2 1 396.417 3.731 20 0 GHADMP COc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c21 ZINC001232036542 1035055238 /nfs/dbraw/zinc/05/52/38/1035055238.db2.gz PJOHBZQOSYAQFI-UHFFFAOYSA-N 2 1 395.503 3.637 20 0 GHADMP COc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c21 ZINC001232036542 1035055245 /nfs/dbraw/zinc/05/52/45/1035055245.db2.gz PJOHBZQOSYAQFI-UHFFFAOYSA-N 2 1 395.503 3.637 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ncccc4[nH]3)C[C@H]21 ZINC001232070340 1035077708 /nfs/dbraw/zinc/07/77/08/1035077708.db2.gz RRCJQSSQJFPVAM-XTQVGHSUSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ncccc4[nH]3)C[C@H]21 ZINC001232070340 1035077721 /nfs/dbraw/zinc/07/77/21/1035077721.db2.gz RRCJQSSQJFPVAM-XTQVGHSUSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ncccc4[nH]3)C[C@H]21 ZINC001232070340 1035077731 /nfs/dbraw/zinc/07/77/31/1035077731.db2.gz RRCJQSSQJFPVAM-XTQVGHSUSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ncccc4[nH]3)C[C@H]21 ZINC001232070340 1035077740 /nfs/dbraw/zinc/07/77/40/1035077740.db2.gz RRCJQSSQJFPVAM-XTQVGHSUSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C)n1 ZINC001232081730 1035083414 /nfs/dbraw/zinc/08/34/14/1035083414.db2.gz FTEXNKIRGYAHQS-HSZRJFAPSA-N 2 1 379.548 3.954 20 0 GHADMP c1ccc(N2CCC(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)CC2)cc1 ZINC001208909406 1035085418 /nfs/dbraw/zinc/08/54/18/1035085418.db2.gz YYRFDRWFLOHNNG-UKILVPOCSA-N 2 1 397.607 3.726 20 0 GHADMP Fc1ccc(N2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)CC2)nc1 ZINC001208930780 1035093595 /nfs/dbraw/zinc/09/35/95/1035093595.db2.gz DSBMEDVAQVVQSU-OAQYLSRUSA-N 2 1 382.527 3.645 20 0 GHADMP Fc1ccc(N2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208930780 1035093603 /nfs/dbraw/zinc/09/36/03/1035093603.db2.gz DSBMEDVAQVVQSU-OAQYLSRUSA-N 2 1 382.527 3.645 20 0 GHADMP Fc1ccc(N2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208930780 1035093609 /nfs/dbraw/zinc/09/36/09/1035093609.db2.gz DSBMEDVAQVVQSU-OAQYLSRUSA-N 2 1 382.527 3.645 20 0 GHADMP COc1ccc(CC[N@H+](C[C@@H](C)O)C[C@H]2CCC[NH+](Cc3ccccc3)C2)cc1 ZINC001208933579 1035096534 /nfs/dbraw/zinc/09/65/34/1035096534.db2.gz WHUPJAWDFUNIGU-QPPBQGQZSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@@H](C)O)C[C@H]2CCC[NH+](Cc3ccccc3)C2)cc1 ZINC001208933579 1035096543 /nfs/dbraw/zinc/09/65/43/1035096543.db2.gz WHUPJAWDFUNIGU-QPPBQGQZSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[NH+](C[C@@H](C)O)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001208933579 1035096548 /nfs/dbraw/zinc/09/65/48/1035096548.db2.gz WHUPJAWDFUNIGU-QPPBQGQZSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(CC[NH+](C[C@@H](C)O)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001208933579 1035096556 /nfs/dbraw/zinc/09/65/56/1035096556.db2.gz WHUPJAWDFUNIGU-QPPBQGQZSA-N 2 1 396.575 3.833 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)C(=O)c2cccc([C@H](C)[NH3+])c2)cc1 ZINC001160958354 1035105638 /nfs/dbraw/zinc/10/56/38/1035105638.db2.gz VHYLIEDIJGCBKB-AVRDEDQJSA-N 2 1 395.547 3.842 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938968 1035106493 /nfs/dbraw/zinc/10/64/93/1035106493.db2.gz AJRMKPXFLROMCL-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938968 1035106516 /nfs/dbraw/zinc/10/65/16/1035106516.db2.gz AJRMKPXFLROMCL-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938968 1035106521 /nfs/dbraw/zinc/10/65/21/1035106521.db2.gz AJRMKPXFLROMCL-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938968 1035106523 /nfs/dbraw/zinc/10/65/23/1035106523.db2.gz AJRMKPXFLROMCL-FGZHOGPDSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208940404 1035110083 /nfs/dbraw/zinc/11/00/83/1035110083.db2.gz CQTURUKNWVKZRP-RTWAWAEBSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940404 1035110088 /nfs/dbraw/zinc/11/00/88/1035110088.db2.gz CQTURUKNWVKZRP-RTWAWAEBSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@H]2CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208940404 1035110091 /nfs/dbraw/zinc/11/00/91/1035110091.db2.gz CQTURUKNWVKZRP-RTWAWAEBSA-N 2 1 399.579 3.697 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001232143531 1035120919 /nfs/dbraw/zinc/12/09/19/1035120919.db2.gz AKAKITMUGKZACX-LJQANCHMSA-N 2 1 379.520 3.767 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208951275 1035122494 /nfs/dbraw/zinc/12/24/94/1035122494.db2.gz AYPBGJFYYATDGR-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208951275 1035122499 /nfs/dbraw/zinc/12/24/99/1035122499.db2.gz AYPBGJFYYATDGR-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208951275 1035122502 /nfs/dbraw/zinc/12/25/02/1035122502.db2.gz AYPBGJFYYATDGR-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208951275 1035122505 /nfs/dbraw/zinc/12/25/05/1035122505.db2.gz AYPBGJFYYATDGR-HMXCVIKNSA-N 2 1 387.568 3.744 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)c1 ZINC001232150056 1035128827 /nfs/dbraw/zinc/12/88/27/1035128827.db2.gz RRLBNVMWDOUJHV-UHFFFAOYSA-N 2 1 394.494 3.874 20 0 GHADMP COC(=O)C[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208958085 1035128913 /nfs/dbraw/zinc/12/89/13/1035128913.db2.gz OAMXWDTWEVOABE-NFBKMPQASA-N 2 1 380.532 3.962 20 0 GHADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208958085 1035128915 /nfs/dbraw/zinc/12/89/15/1035128915.db2.gz OAMXWDTWEVOABE-NFBKMPQASA-N 2 1 380.532 3.962 20 0 GHADMP COC(=O)C[C@@H](C)[NH+](Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208958085 1035128916 /nfs/dbraw/zinc/12/89/16/1035128916.db2.gz OAMXWDTWEVOABE-NFBKMPQASA-N 2 1 380.532 3.962 20 0 GHADMP C[N@@H+](C[C@@H]1CCN1C(=O)OC(C)(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001208996674 1035141252 /nfs/dbraw/zinc/14/12/52/1035141252.db2.gz DRNNWPBNJMZRAL-NRFANRHFSA-N 2 1 387.568 3.840 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cn(C)nc2C2CC2)CC3)c1 ZINC001232170818 1035142150 /nfs/dbraw/zinc/14/21/50/1035142150.db2.gz STNGRSYKNTVOPJ-UHFFFAOYSA-N 2 1 394.563 3.794 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001209103382 1035174315 /nfs/dbraw/zinc/17/43/15/1035174315.db2.gz VDSZPMDERSNRNN-MDNUFGMLSA-N 2 1 399.579 3.547 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001209103382 1035174318 /nfs/dbraw/zinc/17/43/18/1035174318.db2.gz VDSZPMDERSNRNN-MDNUFGMLSA-N 2 1 399.579 3.547 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001209103382 1035174321 /nfs/dbraw/zinc/17/43/21/1035174321.db2.gz VDSZPMDERSNRNN-MDNUFGMLSA-N 2 1 399.579 3.547 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001209103382 1035174324 /nfs/dbraw/zinc/17/43/24/1035174324.db2.gz VDSZPMDERSNRNN-MDNUFGMLSA-N 2 1 399.579 3.547 20 0 GHADMP C[C@H]1[C@@H](CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001161232015 1035186915 /nfs/dbraw/zinc/18/69/15/1035186915.db2.gz WYAINZVDKWQZAB-MXBUBSDBSA-N 2 1 391.559 3.695 20 0 GHADMP [NH3+]CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CCCCC1 ZINC001161575705 1035262207 /nfs/dbraw/zinc/26/22/07/1035262207.db2.gz MVNIPXBGBIRGSN-VXKWHMMOSA-N 2 1 383.580 3.656 20 0 GHADMP COC1CCC(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)CC1 ZINC001209391222 1035266993 /nfs/dbraw/zinc/26/69/93/1035266993.db2.gz KLJMBXSITUVLGD-UHFFFAOYSA-N 2 1 386.580 3.867 20 0 GHADMP Fc1cccnc1N1CC[C@@]2(C1)C[N@H+](CCC[NH+]1CCCCC1)CCC2(F)F ZINC001209449947 1035276848 /nfs/dbraw/zinc/27/68/48/1035276848.db2.gz FOMWEFADBHAGGT-FQEVSTJZSA-N 2 1 396.501 3.634 20 0 GHADMP Fc1cccnc1N1CC[C@@]2(C1)C[N@@H+](CCC[NH+]1CCCCC1)CCC2(F)F ZINC001209449947 1035276858 /nfs/dbraw/zinc/27/68/58/1035276858.db2.gz FOMWEFADBHAGGT-FQEVSTJZSA-N 2 1 396.501 3.634 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508087 1035296673 /nfs/dbraw/zinc/29/66/73/1035296673.db2.gz ZIRHSWKLNHJHTL-VXKWHMMOSA-N 2 1 377.532 3.751 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508087 1035296677 /nfs/dbraw/zinc/29/66/77/1035296677.db2.gz ZIRHSWKLNHJHTL-VXKWHMMOSA-N 2 1 377.532 3.751 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508087 1035296681 /nfs/dbraw/zinc/29/66/81/1035296681.db2.gz ZIRHSWKLNHJHTL-VXKWHMMOSA-N 2 1 377.532 3.751 20 0 GHADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001278332281 1035628875 /nfs/dbraw/zinc/62/88/75/1035628875.db2.gz SEMRPKOPOKFFHB-GASCZTMLSA-N 2 1 375.866 3.569 20 0 GHADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001278332281 1035628882 /nfs/dbraw/zinc/62/88/82/1035628882.db2.gz SEMRPKOPOKFFHB-GASCZTMLSA-N 2 1 375.866 3.569 20 0 GHADMP [NH3+][C@H]1CCCC[C@@H]1OCc1ccccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241999454 1035785706 /nfs/dbraw/zinc/78/57/06/1035785706.db2.gz GQAPQUGXDJMFPC-ZEQRLZLVSA-N 2 1 380.532 3.972 20 0 GHADMP COc1c(F)cc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1Cl ZINC001278340831 1035803629 /nfs/dbraw/zinc/80/36/29/1035803629.db2.gz XLMOXEHQXDDATP-UXHICEINSA-N 2 1 383.939 3.574 20 0 GHADMP CCN1CC[NH+](Cc2ccc(Nc3ccc(OCCC[NH+](C)C)cc3)cc2)CC1 ZINC001248413833 1035832984 /nfs/dbraw/zinc/83/29/84/1035832984.db2.gz JTEVKNIWRWTZOY-UHFFFAOYSA-N 2 1 396.579 3.898 20 0 GHADMP Fc1cc(C(F)(F)F)cnc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001248787162 1036146624 /nfs/dbraw/zinc/14/66/24/1036146624.db2.gz RQWSKHFQLWGQGV-UHFFFAOYSA-N 2 1 389.437 3.564 20 0 GHADMP O[C@H](C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1)c1ccc(F)cc1 ZINC001246007874 1037127762 /nfs/dbraw/zinc/12/77/62/1037127762.db2.gz QIRJJYRNHVGVLV-GOSISDBHSA-N 2 1 382.401 3.746 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001246013089 1037133733 /nfs/dbraw/zinc/13/37/33/1037133733.db2.gz BXMLNYLPTBOWDV-LEWJYISDSA-N 2 1 392.877 3.638 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001246013089 1037133748 /nfs/dbraw/zinc/13/37/48/1037133748.db2.gz BXMLNYLPTBOWDV-LEWJYISDSA-N 2 1 392.877 3.638 20 0 GHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001246053210 1037165614 /nfs/dbraw/zinc/16/56/14/1037165614.db2.gz QRCFSMRCCONUSY-UGKGYDQZSA-N 2 1 388.596 3.968 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CCC[NH2+]C1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001246058748 1037172425 /nfs/dbraw/zinc/17/24/25/1037172425.db2.gz GLBXELXYUUEJJI-GATIMQMVSA-N 2 1 394.559 3.912 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](CC1(O)CC[NH2+]CC1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001246062230 1037175344 /nfs/dbraw/zinc/17/53/44/1037175344.db2.gz ZSSDBFUZDLIDEH-HUVFLSCGSA-N 2 1 394.559 3.912 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246192006 1037231037 /nfs/dbraw/zinc/23/10/37/1037231037.db2.gz XTCVZSKFUDSQBU-HVHOJJEHSA-N 2 1 377.576 3.992 20 0 GHADMP O=C(OCc1ccccc1)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246207487 1037239038 /nfs/dbraw/zinc/23/90/38/1037239038.db2.gz AOWBSRZRMNGCAM-CUYJMHBOSA-N 2 1 392.543 3.853 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCc2ccccc2)cc1 ZINC001246257136 1037256578 /nfs/dbraw/zinc/25/65/78/1037256578.db2.gz UEFKAGJXLCQMTK-KGSLCBSSSA-N 2 1 394.515 3.742 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[NH2+]1 ZINC001246278218 1037273656 /nfs/dbraw/zinc/27/36/56/1037273656.db2.gz LGBWLHWWFQZKCR-IRLDBZIGSA-N 2 1 395.522 3.886 20 0 GHADMP CCCC[C@H]([NH3+])Cc1cn([C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)c2ccccc12 ZINC001246331206 1037297346 /nfs/dbraw/zinc/29/73/46/1037297346.db2.gz DTDGOOBPUVVPNR-BJLQDIEVSA-N 2 1 385.552 3.946 20 0 GHADMP CCc1ccc(C[N@@H+](CCN)[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC001246347334 1037308276 /nfs/dbraw/zinc/30/82/76/1037308276.db2.gz BRCUFMRJFAPCCV-QGZVFWFLSA-N 2 1 386.536 3.667 20 0 GHADMP CCc1ccc(C[N@H+](CC[NH3+])[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC001246347334 1037308295 /nfs/dbraw/zinc/30/82/95/1037308295.db2.gz BRCUFMRJFAPCCV-QGZVFWFLSA-N 2 1 386.536 3.667 20 0 GHADMP CCc1ccc(C[N@@H+](CC[NH3+])[C@H](C)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC001246347334 1037308315 /nfs/dbraw/zinc/30/83/15/1037308315.db2.gz BRCUFMRJFAPCCV-QGZVFWFLSA-N 2 1 386.536 3.667 20 0 GHADMP Brc1ccccc1CN1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246368798 1037327090 /nfs/dbraw/zinc/32/70/90/1037327090.db2.gz SVICQIASFVFYCV-DFNIBXOVSA-N 2 1 392.385 3.534 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC001246372100 1037328078 /nfs/dbraw/zinc/32/80/78/1037328078.db2.gz CFCSOXCPZDFPMX-URXFXBBRSA-N 3 1 377.576 3.951 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246372100 1037328096 /nfs/dbraw/zinc/32/80/96/1037328096.db2.gz CFCSOXCPZDFPMX-URXFXBBRSA-N 3 1 377.576 3.951 20 0 GHADMP CC(C)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)C(=O)Nc1ccc(F)cc1 ZINC001246371057 1037328917 /nfs/dbraw/zinc/32/89/17/1037328917.db2.gz UNJPEDQAIWHSIY-FKBYEOEOSA-N 2 1 383.511 3.742 20 0 GHADMP CC[C@H]1CC([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)C[C@H](CC)[NH2+]1 ZINC001246378312 1037337121 /nfs/dbraw/zinc/33/71/21/1037337121.db2.gz WEBAVSVVZKBPRY-XYJFISCASA-N 2 1 397.357 3.952 20 0 GHADMP COc1ccccc1C1(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]CC1 ZINC001246378330 1037337774 /nfs/dbraw/zinc/33/77/74/1037337774.db2.gz WFRPJWCPPOESGG-RBBKRZOGSA-N 2 1 393.575 3.917 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246422686 1037381533 /nfs/dbraw/zinc/38/15/33/1037381533.db2.gz MSHPBAXHBMXMCV-QAPCUYQASA-N 2 1 398.469 3.996 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4cccc(F)c4)n3c2)C[C@H](CC)[NH2+]1 ZINC001246439669 1037402156 /nfs/dbraw/zinc/40/21/56/1037402156.db2.gz POKDJZBNEUXQRK-PMOLBWCYSA-N 2 1 381.499 3.934 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH2+]1 ZINC001246441571 1037403361 /nfs/dbraw/zinc/40/33/61/1037403361.db2.gz JCKRQVGUIOWDDU-UDTPNQRGSA-N 3 1 380.374 3.662 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246452752 1037413531 /nfs/dbraw/zinc/41/35/31/1037413531.db2.gz STTWBWVCGHXXNP-HUUCEWRRSA-N 2 1 384.442 3.606 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246453523 1037414545 /nfs/dbraw/zinc/41/45/45/1037414545.db2.gz WQDYEYFXSVJAGC-HZPDHXFCSA-N 2 1 398.469 3.996 20 0 GHADMP CC[C@H]1CC([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)C[C@H](CC)[NH2+]1 ZINC001246489063 1037434311 /nfs/dbraw/zinc/43/43/11/1037434311.db2.gz KCCACTVSJGJPRO-ZJOUEHCJSA-N 2 1 391.625 3.843 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)CC[NH2+]1 ZINC001246503736 1037446484 /nfs/dbraw/zinc/44/64/84/1037446484.db2.gz LMKXBEBVIMAWBC-NBHGPNQESA-N 2 1 376.903 3.946 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH2+]1 ZINC001246535817 1037470368 /nfs/dbraw/zinc/47/03/68/1037470368.db2.gz LUHLBAAINLAPET-CTNGQTDRSA-N 2 1 386.490 3.674 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH2+]1 ZINC001246535817 1037470386 /nfs/dbraw/zinc/47/03/86/1037470386.db2.gz LUHLBAAINLAPET-CTNGQTDRSA-N 2 1 386.490 3.674 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CC1 ZINC001246599110 1037495330 /nfs/dbraw/zinc/49/53/30/1037495330.db2.gz AQXYDGDKIXYYFR-LADGPHEKSA-N 2 1 383.580 3.927 20 0 GHADMP c1ccc(COc2ccc3c(c2)C[C@H]([N@H+]2CCOC4(CC[NH2+]CC4)C2)CC3)cc1 ZINC001246608063 1037502738 /nfs/dbraw/zinc/50/27/38/1037502738.db2.gz VRPHUJVCEGXEDA-HSZRJFAPSA-N 2 1 392.543 3.577 20 0 GHADMP C[C@@H]1C[C@H](N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001246624377 1037514591 /nfs/dbraw/zinc/51/45/91/1037514591.db2.gz DSABPUGYFHYJGW-NEWSRXKRSA-N 2 1 381.486 3.656 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001246628719 1037515474 /nfs/dbraw/zinc/51/54/74/1037515474.db2.gz CSARDHNLBMCDGR-LJQANCHMSA-N 2 1 398.497 3.968 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628397 1037516699 /nfs/dbraw/zinc/51/66/99/1037516699.db2.gz XMYIQDNQUKEHTN-UARRHKHWSA-N 2 1 397.607 3.805 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628397 1037516719 /nfs/dbraw/zinc/51/67/19/1037516719.db2.gz XMYIQDNQUKEHTN-UARRHKHWSA-N 2 1 397.607 3.805 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628397 1037516743 /nfs/dbraw/zinc/51/67/43/1037516743.db2.gz XMYIQDNQUKEHTN-UARRHKHWSA-N 3 1 397.607 3.805 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628397 1037516764 /nfs/dbraw/zinc/51/67/64/1037516764.db2.gz XMYIQDNQUKEHTN-UARRHKHWSA-N 2 1 397.607 3.805 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1[C@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628397 1037516774 /nfs/dbraw/zinc/51/67/74/1037516774.db2.gz XMYIQDNQUKEHTN-UARRHKHWSA-N 2 1 397.607 3.805 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2CN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001246673909 1037539593 /nfs/dbraw/zinc/53/95/93/1037539593.db2.gz QMRLBMJXJBUXAG-FCQNWVOVSA-N 2 1 379.592 3.645 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CC3)cc1 ZINC001246673909 1037539597 /nfs/dbraw/zinc/53/95/97/1037539597.db2.gz QMRLBMJXJBUXAG-FCQNWVOVSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001246673909 1037539609 /nfs/dbraw/zinc/53/96/09/1037539609.db2.gz QMRLBMJXJBUXAG-FCQNWVOVSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001246673909 1037539624 /nfs/dbraw/zinc/53/96/24/1037539624.db2.gz QMRLBMJXJBUXAG-FCQNWVOVSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001246673909 1037539644 /nfs/dbraw/zinc/53/96/44/1037539644.db2.gz QMRLBMJXJBUXAG-FCQNWVOVSA-N 3 1 379.592 3.645 20 0 GHADMP CC[C@@H]1C[C@H](N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246716103 1037567768 /nfs/dbraw/zinc/56/77/68/1037567768.db2.gz SXZVQXFQHIURAT-AUZHNRIQSA-N 2 1 389.584 3.500 20 0 GHADMP CC[C@@H]1C[C@H](N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246716103 1037567786 /nfs/dbraw/zinc/56/77/86/1037567786.db2.gz SXZVQXFQHIURAT-AUZHNRIQSA-N 2 1 389.584 3.500 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC[NH2+]1 ZINC001246723217 1037571932 /nfs/dbraw/zinc/57/19/32/1037571932.db2.gz WPMMCIYAASNVJZ-UXHICEINSA-N 2 1 382.527 3.994 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1cccc(F)c1 ZINC001246753885 1037595564 /nfs/dbraw/zinc/59/55/64/1037595564.db2.gz DLRJQHNCEYOLAG-FJIJXJHWSA-N 2 1 393.506 3.748 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CN1c1cccc(F)c1 ZINC001246753885 1037595574 /nfs/dbraw/zinc/59/55/74/1037595574.db2.gz DLRJQHNCEYOLAG-FJIJXJHWSA-N 2 1 393.506 3.748 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CC[NH2+]1 ZINC001246761664 1037603603 /nfs/dbraw/zinc/60/36/03/1037603603.db2.gz ULEYXXBWRHSNSO-DBJGNFRESA-N 2 1 387.543 3.889 20 0 GHADMP FC(F)(F)c1ccc(O[C@H]2CCC[N@H+](C3CCC4(CC3)C[NH2+]CCO4)C2)cc1 ZINC001246780053 1037617531 /nfs/dbraw/zinc/61/75/31/1037617531.db2.gz MCOHICWCASGZIH-SYYJFZTOSA-N 2 1 398.469 3.850 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+](C4CCC5(CCC[NH2+]C5)CC4)C3)CC2=O)cc1 ZINC001246780942 1037621358 /nfs/dbraw/zinc/62/13/58/1037621358.db2.gz QWLNFCYJWHDMIZ-BOYUCYPVSA-N 2 1 381.564 3.736 20 0 GHADMP Brc1cccc([C@H]2CN([C@@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]2)c1 ZINC001246806987 1037640672 /nfs/dbraw/zinc/64/06/72/1037640672.db2.gz PSBWXROGIZZWAK-WOJBJXKFSA-N 2 1 392.385 3.802 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)C[C@H](CC)[NH2+]1 ZINC001246814264 1037648271 /nfs/dbraw/zinc/64/82/71/1037648271.db2.gz XJRWIBQCFLSJQU-SMOZNVCYSA-N 2 1 381.564 3.696 20 0 GHADMP COc1ccc(C(=O)C2CC[NH+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246832239 1037663255 /nfs/dbraw/zinc/66/32/55/1037663255.db2.gz FWJYNPQPQJIBIC-XZOQPEGZSA-N 2 1 392.543 3.953 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246849528 1037673599 /nfs/dbraw/zinc/67/35/99/1037673599.db2.gz FVFNOOGGNAXSPM-CCDWMCETSA-N 3 1 377.576 3.804 20 0 GHADMP Cc1ncsc1C[N@@H+]1CCC[C@]2(CCC[NH+](CCC3CCOCC3)C2)C1 ZINC001278468953 1037680970 /nfs/dbraw/zinc/68/09/70/1037680970.db2.gz MJYKECIRQPRKKE-NRFANRHFSA-N 2 1 377.598 3.946 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC[C@]2(CCC[NH+](CCC3CCOCC3)C2)C1 ZINC001278468953 1037680980 /nfs/dbraw/zinc/68/09/80/1037680980.db2.gz MJYKECIRQPRKKE-NRFANRHFSA-N 2 1 377.598 3.946 20 0 GHADMP Cc1ncsc1C[NH+]1CCC[C@]2(CCC[N@H+](CCC3CCOCC3)C2)C1 ZINC001278468953 1037680989 /nfs/dbraw/zinc/68/09/89/1037680989.db2.gz MJYKECIRQPRKKE-NRFANRHFSA-N 2 1 377.598 3.946 20 0 GHADMP Cc1ncsc1C[NH+]1CCC[C@]2(CCC[N@@H+](CCC3CCOCC3)C2)C1 ZINC001278468953 1037680995 /nfs/dbraw/zinc/68/09/95/1037680995.db2.gz MJYKECIRQPRKKE-NRFANRHFSA-N 2 1 377.598 3.946 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879239 1037694170 /nfs/dbraw/zinc/69/41/70/1037694170.db2.gz NILZYCWEPNIGIS-SCWSEQNSSA-N 2 1 390.449 3.989 20 0 GHADMP COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001246882364 1037697685 /nfs/dbraw/zinc/69/76/85/1037697685.db2.gz HWHWSYBWYUUGFD-RXVVDRJESA-N 2 1 382.573 3.976 20 0 GHADMP C[Si](C)(C)CCOCN[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246892407 1037708784 /nfs/dbraw/zinc/70/87/84/1037708784.db2.gz HPKFKNDJFJUQRE-LJQANCHMSA-N 2 1 381.681 3.665 20 0 GHADMP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN(C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246892407 1037708794 /nfs/dbraw/zinc/70/87/94/1037708794.db2.gz HPKFKNDJFJUQRE-LJQANCHMSA-N 2 1 381.681 3.665 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCN1 ZINC001246909056 1037718055 /nfs/dbraw/zinc/71/80/55/1037718055.db2.gz ZBPGVZHJSGEDDS-UFYCRDLUSA-N 2 1 381.486 3.657 20 0 GHADMP CCCC[C@H]1C[C@H]([N@@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC[NH2+]1 ZINC001246910067 1037718739 /nfs/dbraw/zinc/71/87/39/1037718739.db2.gz JFLNOEOADOQTDH-JKSUJKDBSA-N 2 1 398.020 3.675 20 0 GHADMP CCCC[C@H]1C[C@H]([N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC[NH2+]1 ZINC001246910067 1037718755 /nfs/dbraw/zinc/71/87/55/1037718755.db2.gz JFLNOEOADOQTDH-JKSUJKDBSA-N 2 1 398.020 3.675 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001246911326 1037720441 /nfs/dbraw/zinc/72/04/41/1037720441.db2.gz BJFDJSOPWBEYGH-SFHVURJKSA-N 2 1 398.547 3.898 20 0 GHADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001246936303 1037740127 /nfs/dbraw/zinc/74/01/27/1037740127.db2.gz HHURJNZNLHMKKJ-DEOSSOPVSA-N 2 1 381.539 3.902 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246944379 1037746899 /nfs/dbraw/zinc/74/68/99/1037746899.db2.gz WZPOLVXUGRWOCN-DCEJCQMCSA-N 2 1 390.955 3.625 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954059 1037761611 /nfs/dbraw/zinc/76/16/11/1037761611.db2.gz GBNVIKWGVQMAAG-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3cc(F)ccc3C2)c1 ZINC001246956868 1037768910 /nfs/dbraw/zinc/76/89/10/1037768910.db2.gz IBOHDXJVCYBEAZ-HSZRJFAPSA-N 2 1 396.506 3.724 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccncc2)[C@@H]2CC[NH2+]C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246957632 1037772435 /nfs/dbraw/zinc/77/24/35/1037772435.db2.gz BVXKPLIJWVUMLA-WNXIRNOKSA-N 2 1 378.564 3.687 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246958766 1037774467 /nfs/dbraw/zinc/77/44/67/1037774467.db2.gz GWHWVUZBYCWRDM-PXNSSMCTSA-N 2 1 376.516 3.810 20 0 GHADMP C[C@H]1CC([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)C[C@H](C)[NH2+]1 ZINC001246983792 1037808285 /nfs/dbraw/zinc/80/82/85/1037808285.db2.gz JGIOHJAWWQTJLJ-PMACEKPBSA-N 2 1 379.548 3.917 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246998213 1037822357 /nfs/dbraw/zinc/82/23/57/1037822357.db2.gz XWBUFZGDHHDMBS-XPWALMASSA-N 2 1 378.516 3.935 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC001246998213 1037822387 /nfs/dbraw/zinc/82/23/87/1037822387.db2.gz XWBUFZGDHHDMBS-XPWALMASSA-N 2 1 378.516 3.935 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccc4nc(C[C@@H]5CCCC[NH2+]5)[nH]c4c3)CC2)cc1 ZINC001247010362 1037835983 /nfs/dbraw/zinc/83/59/83/1037835983.db2.gz IMOKJJNMBAZEFV-FQEVSTJZSA-N 2 1 389.547 3.570 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccc4nc([C@H]5CCCC[NH2+]5)[nH]c4c3)CC2)cc1 ZINC001247009879 1037836254 /nfs/dbraw/zinc/83/62/54/1037836254.db2.gz CXFAXDWUDCWPEB-OAQYLSRUSA-N 2 1 375.520 3.700 20 0 GHADMP [NH3+][C@H](Cc1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1)c1cccs1 ZINC001247259401 1038036932 /nfs/dbraw/zinc/03/69/32/1038036932.db2.gz GTMIRCKGXMFNJW-IAGOWNOFSA-N 2 1 395.463 3.912 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396111 1038180742 /nfs/dbraw/zinc/18/07/42/1038180742.db2.gz KLDILNZVXDFLFN-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396111 1038180748 /nfs/dbraw/zinc/18/07/48/1038180748.db2.gz KLDILNZVXDFLFN-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396111 1038180758 /nfs/dbraw/zinc/18/07/58/1038180758.db2.gz KLDILNZVXDFLFN-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396111 1038180766 /nfs/dbraw/zinc/18/07/66/1038180766.db2.gz KLDILNZVXDFLFN-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C)ccc1OC(C)C)C2 ZINC001232396111 1038180773 /nfs/dbraw/zinc/18/07/73/1038180773.db2.gz KLDILNZVXDFLFN-UPVQGACJSA-N 2 1 386.580 3.963 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001232434559 1038215915 /nfs/dbraw/zinc/21/59/15/1038215915.db2.gz PXCAWVIMJIFBSZ-PMACEKPBSA-N 2 1 385.552 3.758 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1N)CC2 ZINC001232507828 1038277888 /nfs/dbraw/zinc/27/78/88/1038277888.db2.gz HLCJTDNRBPCBJF-SFHVURJKSA-N 2 1 389.540 3.725 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2Br)no1 ZINC001247693630 1038332592 /nfs/dbraw/zinc/33/25/92/1038332592.db2.gz QKBFNPSVEJHKHY-NSHDSACASA-N 2 1 393.207 3.647 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cncc3cnccc31)C2 ZINC001232650795 1038437822 /nfs/dbraw/zinc/43/78/22/1038437822.db2.gz SMPMBXDTMHZVGQ-UHFFFAOYSA-N 2 1 399.498 3.808 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cncc3cnccc31)CC2 ZINC001232649520 1038438203 /nfs/dbraw/zinc/43/82/03/1038438203.db2.gz AMVAFYUNZVYOIV-UHFFFAOYSA-N 2 1 387.531 3.901 20 0 GHADMP CCN(CC)c1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247905374 1038478783 /nfs/dbraw/zinc/47/87/83/1038478783.db2.gz NTVLXIOVBNGGGZ-SFHVURJKSA-N 2 1 383.540 3.514 20 0 GHADMP Cc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1C(F)(F)F ZINC001247907667 1038481094 /nfs/dbraw/zinc/48/10/94/1038481094.db2.gz VGRWHVMKGWYMDM-OAHLLOKOSA-N 2 1 394.441 3.995 20 0 GHADMP Cc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c(C(F)(F)F)c1 ZINC001247909832 1038485662 /nfs/dbraw/zinc/48/56/62/1038485662.db2.gz UHWDBNKWBDLZMI-UHFFFAOYSA-N 2 1 394.441 3.995 20 0 GHADMP Fc1cc(-c2noc([C@H]3CCC[C@@]34CC[NH2+]C4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247937173 1038508423 /nfs/dbraw/zinc/50/84/23/1038508423.db2.gz WXDIYYZNPKXXJB-JUXOCIIHSA-N 2 1 393.466 3.855 20 0 GHADMP Cc1cc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cn1 ZINC001233006089 1038766625 /nfs/dbraw/zinc/76/66/25/1038766625.db2.gz NPLDVAQPCXZLBI-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cn1 ZINC001233006089 1038766632 /nfs/dbraw/zinc/76/66/32/1038766632.db2.gz NPLDVAQPCXZLBI-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cn1 ZINC001233006089 1038766636 /nfs/dbraw/zinc/76/66/36/1038766636.db2.gz NPLDVAQPCXZLBI-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cn1 ZINC001233006089 1038766643 /nfs/dbraw/zinc/76/66/43/1038766643.db2.gz NPLDVAQPCXZLBI-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H](O)c2ccccc2)CC3)c1 ZINC001251986396 1038793882 /nfs/dbraw/zinc/79/38/82/1038793882.db2.gz AJCAVTJNTQWTTC-QHCPKHFHSA-N 2 1 380.532 3.717 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(C)c(C)c4)CC3)C2)cc1 ZINC001233160153 1038933438 /nfs/dbraw/zinc/93/34/38/1038933438.db2.gz QPIGRPZSKJSJJW-UHFFFAOYSA-N 2 1 379.548 3.874 20 0 GHADMP CC[N@@H+](CCCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)C1CCCCC1 ZINC001252697222 1039085033 /nfs/dbraw/zinc/08/50/33/1039085033.db2.gz XDBBYKJVVOSHNS-IBGZPJMESA-N 2 1 378.605 3.737 20 0 GHADMP CC[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001252697222 1039085056 /nfs/dbraw/zinc/08/50/56/1039085056.db2.gz XDBBYKJVVOSHNS-IBGZPJMESA-N 2 1 378.605 3.737 20 0 GHADMP CC[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001252697222 1039085074 /nfs/dbraw/zinc/08/50/74/1039085074.db2.gz XDBBYKJVVOSHNS-IBGZPJMESA-N 2 1 378.605 3.737 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC001252697392 1039085658 /nfs/dbraw/zinc/08/56/58/1039085658.db2.gz ZGXNURAXSZROTB-UGKGYDQZSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC001252697392 1039085679 /nfs/dbraw/zinc/08/56/79/1039085679.db2.gz ZGXNURAXSZROTB-UGKGYDQZSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC001252697392 1039085703 /nfs/dbraw/zinc/08/57/03/1039085703.db2.gz ZGXNURAXSZROTB-UGKGYDQZSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001462334417 1070180331 /nfs/dbraw/zinc/18/03/31/1070180331.db2.gz MHDJDQUMZRZMBZ-GOSISDBHSA-N 2 1 385.552 3.696 20 0 GHADMP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001462334417 1070180333 /nfs/dbraw/zinc/18/03/33/1070180333.db2.gz MHDJDQUMZRZMBZ-GOSISDBHSA-N 2 1 385.552 3.696 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252765141 1039155634 /nfs/dbraw/zinc/15/56/34/1039155634.db2.gz ORPKTCMFVUQPTC-OAQYLSRUSA-N 2 1 397.563 3.686 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Cl)c(I)c2)CC1 ZINC001233354735 1039171703 /nfs/dbraw/zinc/17/17/03/1039171703.db2.gz SMMTUWURRORADT-UHFFFAOYSA-N 2 1 392.712 3.718 20 0 GHADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c[nH]c2ccccc21 ZINC001252949599 1039294410 /nfs/dbraw/zinc/29/44/10/1039294410.db2.gz QMAHLVOVASCHFT-DEOSSOPVSA-N 2 1 377.532 3.672 20 0 GHADMP CC(C)(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c[nH]c2ccccc21 ZINC001252949599 1039294422 /nfs/dbraw/zinc/29/44/22/1039294422.db2.gz QMAHLVOVASCHFT-DEOSSOPVSA-N 2 1 377.532 3.672 20 0 GHADMP Clc1ccc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)ccc2n1 ZINC001233442853 1039324895 /nfs/dbraw/zinc/32/48/95/1039324895.db2.gz IRCYCLIGDYQCDU-UHFFFAOYSA-N 2 1 395.938 3.739 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@](C)(O)c3ccccc3)C[C@H]21 ZINC001253101923 1039425041 /nfs/dbraw/zinc/42/50/41/1039425041.db2.gz VZTIJJUHCSLNPP-OTUUDDROSA-N 2 1 379.548 3.522 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@@](C)(O)c3ccccc3)C[C@H]21 ZINC001253101923 1039425056 /nfs/dbraw/zinc/42/50/56/1039425056.db2.gz VZTIJJUHCSLNPP-OTUUDDROSA-N 2 1 379.548 3.522 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@@](C)(O)c3ccccc3)C[C@H]21 ZINC001253101923 1039425068 /nfs/dbraw/zinc/42/50/68/1039425068.db2.gz VZTIJJUHCSLNPP-OTUUDDROSA-N 2 1 379.548 3.522 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@@](C)(O)c3ccccc3)C[C@H]21 ZINC001253101923 1039425078 /nfs/dbraw/zinc/42/50/78/1039425078.db2.gz VZTIJJUHCSLNPP-OTUUDDROSA-N 2 1 379.548 3.522 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001253276002 1039522895 /nfs/dbraw/zinc/52/28/95/1039522895.db2.gz ZMVCIZCBYPEYCQ-DEOSSOPVSA-N 2 1 382.548 3.551 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001253276002 1039522912 /nfs/dbraw/zinc/52/29/12/1039522912.db2.gz ZMVCIZCBYPEYCQ-DEOSSOPVSA-N 2 1 382.548 3.551 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc(C)[nH+]1 ZINC001253507619 1039683642 /nfs/dbraw/zinc/68/36/42/1039683642.db2.gz IOMZHFUAPBTQEO-HSZRJFAPSA-N 2 1 378.520 3.640 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc(C)[nH+]1 ZINC001253507619 1039683692 /nfs/dbraw/zinc/68/36/92/1039683692.db2.gz IOMZHFUAPBTQEO-HSZRJFAPSA-N 2 1 378.520 3.640 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830312 1039837631 /nfs/dbraw/zinc/83/76/31/1039837631.db2.gz DAWGKYGGUCJCEW-KECVZHQQSA-N 2 1 396.575 3.630 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830312 1039837650 /nfs/dbraw/zinc/83/76/50/1039837650.db2.gz DAWGKYGGUCJCEW-KECVZHQQSA-N 2 1 396.575 3.630 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830312 1039837669 /nfs/dbraw/zinc/83/76/69/1039837669.db2.gz DAWGKYGGUCJCEW-KECVZHQQSA-N 2 1 396.575 3.630 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234396377 1040001911 /nfs/dbraw/zinc/00/19/11/1040001911.db2.gz KCYGSUYDQQTXOC-VXKWHMMOSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccc[nH+]c1N([C@@H]1Cc2ccc(Br)cc2C1)C1CC[NH2+]CC1 ZINC001254289736 1040140042 /nfs/dbraw/zinc/14/00/42/1040140042.db2.gz WSMKZMSDRCSPCJ-LJQANCHMSA-N 2 1 386.337 3.878 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254313585 1040166636 /nfs/dbraw/zinc/16/66/36/1040166636.db2.gz KHDYHTPDGFVFOW-GOSISDBHSA-N 2 1 388.556 3.738 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]C2CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC001254509771 1040287853 /nfs/dbraw/zinc/28/78/53/1040287853.db2.gz QIDQELLNLHZQDE-SFHVURJKSA-N 2 1 387.465 3.883 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+][C@@H]2CCC[N@H+](C)CC2)C(C)C)cc2ccccc21 ZINC001254514374 1040291107 /nfs/dbraw/zinc/29/11/07/1040291107.db2.gz KXDFQCJNEABVSU-GCJKJVERSA-N 2 1 383.536 3.885 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)CC2)C(C)C)cc2ccccc21 ZINC001254514374 1040291118 /nfs/dbraw/zinc/29/11/18/1040291118.db2.gz KXDFQCJNEABVSU-GCJKJVERSA-N 2 1 383.536 3.885 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912198 1040663111 /nfs/dbraw/zinc/66/31/11/1040663111.db2.gz AUTYVEPYWFHDOR-QGLKVJOYSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912198 1040663118 /nfs/dbraw/zinc/66/31/18/1040663118.db2.gz AUTYVEPYWFHDOR-QGLKVJOYSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912198 1040663122 /nfs/dbraw/zinc/66/31/22/1040663122.db2.gz AUTYVEPYWFHDOR-QGLKVJOYSA-N 2 1 391.600 3.971 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ccn1 ZINC001462481030 1070289420 /nfs/dbraw/zinc/28/94/20/1070289420.db2.gz LZWVZPIPXGFHJA-KNQAVFIVSA-N 2 1 379.548 3.913 20 0 GHADMP COc1ccc(-c2ccccc2)c(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001235230070 1040709279 /nfs/dbraw/zinc/70/92/79/1040709279.db2.gz ISBIZDNHYVMYTL-PXNSSMCTSA-N 2 1 376.422 3.946 20 0 GHADMP COc1ccc(-c2ccccc2)c(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C2)c1 ZINC001235230070 1040709288 /nfs/dbraw/zinc/70/92/88/1040709288.db2.gz ISBIZDNHYVMYTL-PXNSSMCTSA-N 2 1 376.422 3.946 20 0 GHADMP [NH3+][C@H]1Cc2c3ccccc3n(C3C[C@@H]4COC[C@H](C3)[N@H+]4Cc3ccccc3)c2C1 ZINC001254995011 1040715141 /nfs/dbraw/zinc/71/51/41/1040715141.db2.gz JFNAEOLTYGBNMO-UDEWTMQYSA-N 2 1 387.527 3.672 20 0 GHADMP Ic1sccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235237381 1040717895 /nfs/dbraw/zinc/71/78/95/1040717895.db2.gz AQZZNPQACVDCRX-CQSZACIVSA-N 2 1 390.334 3.707 20 0 GHADMP OC1(C[NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255073734 1040765913 /nfs/dbraw/zinc/76/59/13/1040765913.db2.gz QUOQIAIJFOQSSI-JBRSBNLGSA-N 2 1 376.544 3.866 20 0 GHADMP O[C@@H](CF)C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255075839 1040767151 /nfs/dbraw/zinc/76/71/51/1040767151.db2.gz JEIZSYINIIIKRB-UEQSERJNSA-N 2 1 382.523 3.671 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1coc3ccccc13)C2 ZINC001235322550 1040792845 /nfs/dbraw/zinc/79/28/45/1040792845.db2.gz ZDJTVAQNUYVIMF-NZQKXSOJSA-N 2 1 382.504 3.578 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CCCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)[C@H]3C2)cc1 ZINC001255112012 1040795778 /nfs/dbraw/zinc/79/57/78/1040795778.db2.gz HRMPUECUJXVCRT-SDHSZQHLSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001255112012 1040795792 /nfs/dbraw/zinc/79/57/92/1040795792.db2.gz HRMPUECUJXVCRT-SDHSZQHLSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC001255112012 1040795804 /nfs/dbraw/zinc/79/58/04/1040795804.db2.gz HRMPUECUJXVCRT-SDHSZQHLSA-N 2 1 375.560 3.857 20 0 GHADMP Fc1c(C[N@@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Br)ccc1C(F)(F)F ZINC001235339112 1040807875 /nfs/dbraw/zinc/80/78/75/1040807875.db2.gz CWGFCRQQZFYTRN-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP Fc1c(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)c(Br)ccc1C(F)(F)F ZINC001235339112 1040807900 /nfs/dbraw/zinc/80/79/00/1040807900.db2.gz CWGFCRQQZFYTRN-VIFPVBQESA-N 2 1 381.211 3.648 20 0 GHADMP [NH3+]CCc1nc(-c2ccccc2)nn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255126158 1040820857 /nfs/dbraw/zinc/82/08/57/1040820857.db2.gz KXFOZAIPFNRJMR-ZBYYUNFXSA-N 2 1 387.531 3.814 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)C2)cc1 ZINC001235348190 1040823475 /nfs/dbraw/zinc/82/34/75/1040823475.db2.gz CQXAFYWOUCBRMS-SKBVVQJISA-N 2 1 389.587 3.978 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CC1 ZINC001255131434 1040827674 /nfs/dbraw/zinc/82/76/74/1040827674.db2.gz DKKXWDOXENGJMS-DTUBNOLGSA-N 2 1 381.564 3.609 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](Cc2ccc(Oc4ncccn4)cc2)C3)cc1 ZINC001235351828 1040829740 /nfs/dbraw/zinc/82/97/40/1040829740.db2.gz VYTPXWRGJBFORE-ISKFKSNPSA-N 2 1 386.499 3.848 20 0 GHADMP FC(F)(F)Cn1cnc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255133001 1040831769 /nfs/dbraw/zinc/83/17/69/1040831769.db2.gz OHSTWLJGZCPMBW-LUPIEILUSA-N 2 1 378.442 3.731 20 0 GHADMP COC[C@@H]1COCCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255141177 1040847436 /nfs/dbraw/zinc/84/74/36/1040847436.db2.gz AGTDNWPOBZNTPC-LWSSLDFYSA-N 2 1 398.591 3.947 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255141177 1040847451 /nfs/dbraw/zinc/84/74/51/1040847451.db2.gz AGTDNWPOBZNTPC-LWSSLDFYSA-N 2 1 398.591 3.947 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255141177 1040847463 /nfs/dbraw/zinc/84/74/63/1040847463.db2.gz AGTDNWPOBZNTPC-LWSSLDFYSA-N 2 1 398.591 3.947 20 0 GHADMP CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255140859 1040848055 /nfs/dbraw/zinc/84/80/55/1040848055.db2.gz RKSPTASNHLNSQY-UDIRQSBCSA-N 2 1 384.564 3.842 20 0 GHADMP CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255140859 1040848088 /nfs/dbraw/zinc/84/80/88/1040848088.db2.gz RKSPTASNHLNSQY-UDIRQSBCSA-N 2 1 384.564 3.842 20 0 GHADMP CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255140859 1040848112 /nfs/dbraw/zinc/84/81/12/1040848112.db2.gz RKSPTASNHLNSQY-UDIRQSBCSA-N 2 1 384.564 3.842 20 0 GHADMP O=C([C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142868 1040854565 /nfs/dbraw/zinc/85/45/65/1040854565.db2.gz KGSPASQZPDALQN-JLLPCOHGSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142868 1040854575 /nfs/dbraw/zinc/85/45/75/1040854575.db2.gz KGSPASQZPDALQN-JLLPCOHGSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCCC1 ZINC001255142868 1040854583 /nfs/dbraw/zinc/85/45/83/1040854583.db2.gz KGSPASQZPDALQN-JLLPCOHGSA-N 2 1 395.591 3.907 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCc4ncnc(C5CC5)c4CC2)C3)cc1 ZINC001255144412 1040857546 /nfs/dbraw/zinc/85/75/46/1040857546.db2.gz SGUWLZGKQLKHGB-ZBYYUNFXSA-N 2 1 388.559 3.950 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCc4ncnc(C5CC5)c4CC2)C3)cc1 ZINC001255144412 1040857559 /nfs/dbraw/zinc/85/75/59/1040857559.db2.gz SGUWLZGKQLKHGB-ZBYYUNFXSA-N 2 1 388.559 3.950 20 0 GHADMP COc1cc(C)cc(OC)c1C[N@@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369905 1040873749 /nfs/dbraw/zinc/87/37/49/1040873749.db2.gz NMQYLJQJJITUEN-YKSBVNFPSA-N 2 1 380.532 3.765 20 0 GHADMP COc1cc(C)cc(OC)c1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235369905 1040873769 /nfs/dbraw/zinc/87/37/69/1040873769.db2.gz NMQYLJQJJITUEN-YKSBVNFPSA-N 2 1 380.532 3.765 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151786 1040874938 /nfs/dbraw/zinc/87/49/38/1040874938.db2.gz YGQVVNLSQVPNQQ-JTOYRKQZSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151786 1040874947 /nfs/dbraw/zinc/87/49/47/1040874947.db2.gz YGQVVNLSQVPNQQ-JTOYRKQZSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151786 1040874957 /nfs/dbraw/zinc/87/49/57/1040874957.db2.gz YGQVVNLSQVPNQQ-JTOYRKQZSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151786 1040874964 /nfs/dbraw/zinc/87/49/64/1040874964.db2.gz YGQVVNLSQVPNQQ-JTOYRKQZSA-N 2 1 390.527 3.954 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235377892 1040893173 /nfs/dbraw/zinc/89/31/73/1040893173.db2.gz FYSVTTWHZVBJQL-SYYKKAFVSA-N 2 1 383.923 3.663 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235377891 1040893932 /nfs/dbraw/zinc/89/39/32/1040893932.db2.gz FYSVTTWHZVBJQL-CZTZKLFOSA-N 2 1 383.923 3.663 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC([N@@H+]3CCc4ccccc4C3)CC1)C2 ZINC001255213252 1040908032 /nfs/dbraw/zinc/90/80/32/1040908032.db2.gz FRONSWSRJFMNIM-NUNAXRQHSA-N 2 1 397.563 3.661 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC([N@H+]3CCc4ccccc4C3)CC1)C2 ZINC001255213252 1040908035 /nfs/dbraw/zinc/90/80/35/1040908035.db2.gz FRONSWSRJFMNIM-NUNAXRQHSA-N 2 1 397.563 3.661 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235394551 1040910119 /nfs/dbraw/zinc/91/01/19/1040910119.db2.gz DNPYDITVXCGNIQ-XMSQKQJNSA-N 2 1 383.511 3.972 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235396803 1040911049 /nfs/dbraw/zinc/91/10/49/1040911049.db2.gz MHYSWDILLBWWFQ-NHCUHLMSSA-N 2 1 382.479 3.649 20 0 GHADMP Brc1cccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]nc21 ZINC001235429630 1040931020 /nfs/dbraw/zinc/93/10/20/1040931020.db2.gz UUKNPLORSAABCN-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP C[N@@H+](Cc1c(Br)ccc(Br)c1F)CC1CC[NH2+]CC1 ZINC001235432624 1040933125 /nfs/dbraw/zinc/93/31/25/1040933125.db2.gz OJWRWLCTHWKSRC-UHFFFAOYSA-N 2 1 394.126 3.782 20 0 GHADMP C[N@H+](Cc1c(Br)ccc(Br)c1F)CC1CC[NH2+]CC1 ZINC001235432624 1040933126 /nfs/dbraw/zinc/93/31/26/1040933126.db2.gz OJWRWLCTHWKSRC-UHFFFAOYSA-N 2 1 394.126 3.782 20 0 GHADMP C[N@H+](Cc1ccc(Br)cc1N1CCCCC1)CC1CC[NH2+]CC1 ZINC001235433814 1040934289 /nfs/dbraw/zinc/93/42/89/1040934289.db2.gz RPLXTQCBSSJCOO-UHFFFAOYSA-N 2 1 380.374 3.871 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CCN(CCC[NH2+]C4CCCCC4)CC3)C2)c1 ZINC001235499156 1040962698 /nfs/dbraw/zinc/96/26/98/1040962698.db2.gz ZNKRCYYHDZZNNZ-UHFFFAOYSA-N 2 1 391.625 3.727 20 0 GHADMP [NH3+][C@H](CO)Cc1cn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2ccccc12 ZINC001255386546 1040975518 /nfs/dbraw/zinc/97/55/18/1040975518.db2.gz NYWUCZZVGTUSAD-VXKWHMMOSA-N 2 1 377.532 3.731 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386804 1040975737 /nfs/dbraw/zinc/97/57/37/1040975737.db2.gz BXGQWKHTCCSJAH-ICSRJNTNSA-N 2 1 375.557 3.792 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255389288 1040976861 /nfs/dbraw/zinc/97/68/61/1040976861.db2.gz FCVFGRNIAVECMV-RPWUZVMVSA-N 2 1 393.575 3.914 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccc4c(c2)C[NH2+]CC4)CCO3)c1 ZINC001235537623 1040980976 /nfs/dbraw/zinc/98/09/76/1040980976.db2.gz OAECTNQIKNGHHU-RUZDIDTESA-N 2 1 391.559 3.512 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)CCO3)c1 ZINC001235537623 1040980978 /nfs/dbraw/zinc/98/09/78/1040980978.db2.gz OAECTNQIKNGHHU-RUZDIDTESA-N 2 1 391.559 3.512 20 0 GHADMP [NH3+]CCc1nc(-c2ccccc2)nn1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255394199 1040981547 /nfs/dbraw/zinc/98/15/47/1040981547.db2.gz ULHPDZKXFOYXDN-NRFANRHFSA-N 2 1 375.520 3.674 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255400330 1040986186 /nfs/dbraw/zinc/98/61/86/1040986186.db2.gz IIHDVHXTEOXJCV-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255400330 1040986188 /nfs/dbraw/zinc/98/61/88/1040986188.db2.gz IIHDVHXTEOXJCV-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400723 1040986731 /nfs/dbraw/zinc/98/67/31/1040986731.db2.gz NEXYGAQDIBUROC-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400723 1040986735 /nfs/dbraw/zinc/98/67/35/1040986735.db2.gz NEXYGAQDIBUROC-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC001255400723 1040986741 /nfs/dbraw/zinc/98/67/41/1040986741.db2.gz NEXYGAQDIBUROC-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1 ZINC001235564110 1040990864 /nfs/dbraw/zinc/99/08/64/1040990864.db2.gz HALXFINIINXOGO-UHFFFAOYSA-N 2 1 394.441 3.830 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1 ZINC001235564110 1040990865 /nfs/dbraw/zinc/99/08/65/1040990865.db2.gz HALXFINIINXOGO-UHFFFAOYSA-N 2 1 394.441 3.830 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](N3CC4(C3)CC[N@H+](Cc3cccnc3)C4)CC2)cc1 ZINC001255405239 1040993058 /nfs/dbraw/zinc/99/30/58/1040993058.db2.gz XZKQSCSNNUIOLR-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](N3CC4(C3)CC[NH+](Cc3cccnc3)C4)CC2)cc1 ZINC001255405239 1040993059 /nfs/dbraw/zinc/99/30/59/1040993059.db2.gz XZKQSCSNNUIOLR-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](N3CC4(C3)CC[NH+](Cc3cccnc3)C4)CC2)cc1 ZINC001255405239 1040993064 /nfs/dbraw/zinc/99/30/64/1040993064.db2.gz XZKQSCSNNUIOLR-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP O=C1OC2(CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c2cccnc21 ZINC001255408463 1040995156 /nfs/dbraw/zinc/99/51/56/1040995156.db2.gz MUEJHYLVFVEUPY-FQEVSTJZSA-N 2 1 391.515 3.598 20 0 GHADMP Cc1cccc(N2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407952 1040995347 /nfs/dbraw/zinc/99/53/47/1040995347.db2.gz GUDFWVWHRAZCEB-HSZRJFAPSA-N 2 1 378.564 3.957 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407952 1040995349 /nfs/dbraw/zinc/99/53/49/1040995349.db2.gz GUDFWVWHRAZCEB-HSZRJFAPSA-N 2 1 378.564 3.957 20 0 GHADMP Cc1cccc(N2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255407952 1040995350 /nfs/dbraw/zinc/99/53/50/1040995350.db2.gz GUDFWVWHRAZCEB-HSZRJFAPSA-N 2 1 378.564 3.957 20 0 GHADMP O=C1OC2(CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c2cnccc21 ZINC001255409261 1040995903 /nfs/dbraw/zinc/99/59/03/1040995903.db2.gz VBSPEJGJOABXBS-HXUWFJFHSA-N 2 1 391.515 3.598 20 0 GHADMP COc1cccc(O[C@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255409550 1040997128 /nfs/dbraw/zinc/99/71/28/1040997128.db2.gz HAWZULHNZWVHIP-SFTDATJTSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255409550 1040997131 /nfs/dbraw/zinc/99/71/31/1040997131.db2.gz HAWZULHNZWVHIP-SFTDATJTSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255409550 1040997135 /nfs/dbraw/zinc/99/71/35/1040997135.db2.gz HAWZULHNZWVHIP-SFTDATJTSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CC2CC4(C2)CC[NH2+]CC4)CC3)c1 ZINC001235591956 1041006333 /nfs/dbraw/zinc/00/63/33/1041006333.db2.gz OFXYEESCTWIPRM-UHFFFAOYSA-N 3 1 397.607 3.763 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)NCC5)CC3)C2)cc1 ZINC001235609404 1041027245 /nfs/dbraw/zinc/02/72/45/1041027245.db2.gz KYMXOBDITDUFQV-UHFFFAOYSA-N 2 1 391.559 3.830 20 0 GHADMP Cc1cc(-c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)n(-c2cc[nH+]cc2)n1 ZINC001255468131 1041069788 /nfs/dbraw/zinc/06/97/88/1041069788.db2.gz DDGJRMXYDIQPNR-GOSISDBHSA-N 2 1 386.459 3.615 20 0 GHADMP Cc1cc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)n(-c2cc[nH+]cc2)n1 ZINC001255468131 1041069809 /nfs/dbraw/zinc/06/98/09/1041069809.db2.gz DDGJRMXYDIQPNR-GOSISDBHSA-N 2 1 386.459 3.615 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001255741436 1041260611 /nfs/dbraw/zinc/26/06/11/1041260611.db2.gz FOKWGKKZJZMWEB-QGZVFWFLSA-N 2 1 388.556 3.657 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255844828 1041337382 /nfs/dbraw/zinc/33/73/82/1041337382.db2.gz LWVPJXWIEWJTTI-DENIHFKCSA-N 2 1 397.538 3.907 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c2c1OC(F)(F)O2 ZINC001462536044 1070337093 /nfs/dbraw/zinc/33/70/93/1070337093.db2.gz RPDIFWQEFRWPTH-UHFFFAOYSA-N 3 1 397.510 3.768 20 0 GHADMP CN(C)Cc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c2c1OC(F)(F)O2 ZINC001462536044 1070337110 /nfs/dbraw/zinc/33/71/10/1070337110.db2.gz RPDIFWQEFRWPTH-UHFFFAOYSA-N 2 1 397.510 3.768 20 0 GHADMP CN(C)Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c2c1OC(F)(F)O2 ZINC001462536044 1070337129 /nfs/dbraw/zinc/33/71/29/1070337129.db2.gz RPDIFWQEFRWPTH-UHFFFAOYSA-N 2 1 397.510 3.768 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001462535476 1070337365 /nfs/dbraw/zinc/33/73/65/1070337365.db2.gz BPHJEEUIMCRIDJ-NZQKXSOJSA-N 2 1 389.559 3.712 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001462535476 1070337383 /nfs/dbraw/zinc/33/73/83/1070337383.db2.gz BPHJEEUIMCRIDJ-NZQKXSOJSA-N 2 1 389.559 3.712 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001462535476 1070337396 /nfs/dbraw/zinc/33/73/96/1070337396.db2.gz BPHJEEUIMCRIDJ-NZQKXSOJSA-N 2 1 389.559 3.712 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(Cc3cccc(F)c3)CC2)C1 ZINC001255904548 1041387266 /nfs/dbraw/zinc/38/72/66/1041387266.db2.gz ZGGJECRUXXZGCI-LJQANCHMSA-N 2 1 391.531 3.561 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cncn1Cc1ccccc1Br ZINC001255953518 1041434184 /nfs/dbraw/zinc/43/41/84/1041434184.db2.gz LCMMDCYGKMTYCS-MRXNPFEDSA-N 2 1 393.373 3.904 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001255960947 1041440281 /nfs/dbraw/zinc/44/02/81/1041440281.db2.gz KABVZOUZCMWTPP-LEWJYISDSA-N 2 1 389.584 3.700 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001255961946 1041442017 /nfs/dbraw/zinc/44/20/17/1041442017.db2.gz RAVGOHPHQBROBI-ACIOBRDBSA-N 2 1 389.584 3.590 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001255962720 1041445130 /nfs/dbraw/zinc/44/51/30/1041445130.db2.gz YDRNMOICSVEDOC-YLJYHZDGSA-N 2 1 398.517 3.879 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001255962720 1041445139 /nfs/dbraw/zinc/44/51/39/1041445139.db2.gz YDRNMOICSVEDOC-YLJYHZDGSA-N 2 1 398.517 3.879 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235961273 1041468189 /nfs/dbraw/zinc/46/81/89/1041468189.db2.gz DNRUXXRVFHZFFE-CVDCTZTESA-N 2 1 378.516 3.546 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1Cc2ccccc2C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC001235961273 1041468197 /nfs/dbraw/zinc/46/81/97/1041468197.db2.gz DNRUXXRVFHZFFE-CVDCTZTESA-N 2 1 378.516 3.546 20 0 GHADMP Clc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001235971971 1041476046 /nfs/dbraw/zinc/47/60/46/1041476046.db2.gz DEIFNOMJOHKXGI-NRFANRHFSA-N 2 1 385.939 3.793 20 0 GHADMP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235973505 1041477323 /nfs/dbraw/zinc/47/73/23/1041477323.db2.gz LRKWFBMBDXOXQA-UHFFFAOYSA-N 2 1 389.499 3.592 20 0 GHADMP Oc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1OCC1CC1 ZINC001235979199 1041483988 /nfs/dbraw/zinc/48/39/88/1041483988.db2.gz VNJIASFFUJLWAT-UHFFFAOYSA-N 2 1 378.516 3.818 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1)c1ccc(Cl)cc1 ZINC001256071993 1041506772 /nfs/dbraw/zinc/50/67/72/1041506772.db2.gz UMZWJCJQVZMWMP-IYARVYRRSA-N 2 1 375.944 3.597 20 0 GHADMP COc1ccccc1Sc1ccc(C[N@H+]2CCC[C@H](N3CC(C[NH3+])C3)C2)cc1 ZINC001236079251 1041524360 /nfs/dbraw/zinc/52/43/60/1041524360.db2.gz MZMMKNSHBOVLBW-FQEVSTJZSA-N 2 1 397.588 3.701 20 0 GHADMP Cc1ccccc1N(C)c1ccc(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc1 ZINC001236079046 1041524438 /nfs/dbraw/zinc/52/44/38/1041524438.db2.gz KTCYRBPGLYFZLM-HSZRJFAPSA-N 2 1 378.564 3.618 20 0 GHADMP C[N@H+](Cc1c(Cl)cccc1I)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223170 1041629610 /nfs/dbraw/zinc/62/96/10/1041629610.db2.gz LOWFVNPOJSCCKV-XYPYZODXSA-N 2 1 378.685 3.646 20 0 GHADMP C[N@@H+](Cc1c(Cl)cccc1I)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223170 1041629616 /nfs/dbraw/zinc/62/96/16/1041629616.db2.gz LOWFVNPOJSCCKV-XYPYZODXSA-N 2 1 378.685 3.646 20 0 GHADMP C[N@@H+](Cc1cc2ccccc2n1S(=O)(=O)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224767 1041630989 /nfs/dbraw/zinc/63/09/89/1041630989.db2.gz WKUUZTLEWSVQKP-WGSAOQKQSA-N 2 1 397.544 3.580 20 0 GHADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC001236228851 1041633646 /nfs/dbraw/zinc/63/36/46/1041633646.db2.gz QYFDRLZVLDOEAZ-UHFFFAOYSA-N 2 1 377.488 3.918 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)cc1OC ZINC001236227701 1041634106 /nfs/dbraw/zinc/63/41/06/1041634106.db2.gz AHPSGSSOENKWEP-UHFFFAOYSA-N 2 1 382.504 3.754 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)cc1 ZINC001236228002 1041634311 /nfs/dbraw/zinc/63/43/11/1041634311.db2.gz PSSALJYYPGOFEP-UHFFFAOYSA-N 3 1 381.564 3.899 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256214159 1041653417 /nfs/dbraw/zinc/65/34/17/1041653417.db2.gz HNEIGXIMBRPKGZ-ZTFGCOKTSA-N 2 1 381.358 3.741 20 0 GHADMP O=C1C[C@H]([N@@H+](CCC2CC[NH2+]CC2)Cc2ccccc2)CN1Cc1ccccc1 ZINC001236318075 1041669056 /nfs/dbraw/zinc/66/90/56/1041669056.db2.gz ZPHUFCZEYUCFBW-DEOSSOPVSA-N 2 1 391.559 3.679 20 0 GHADMP FC(F)(F)Oc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321654 1041670123 /nfs/dbraw/zinc/67/01/23/1041670123.db2.gz KGCSHTOMGJEPAY-TXEJJXNPSA-N 2 1 393.247 3.779 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC001256240119 1041671672 /nfs/dbraw/zinc/67/16/72/1041671672.db2.gz FDZBYVUKEOFQKZ-HXUWFJFHSA-N 2 1 389.540 3.577 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366516 1041684033 /nfs/dbraw/zinc/68/40/33/1041684033.db2.gz DGMGSJIKVJANEP-KRWDZBQOSA-N 2 1 384.495 3.987 20 0 GHADMP COc1cc(Br)cnc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373877 1041686313 /nfs/dbraw/zinc/68/63/13/1041686313.db2.gz MOTJASISZAWLJT-CQSZACIVSA-N 2 1 382.346 3.597 20 0 GHADMP COc1cc(Br)cnc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373877 1041686317 /nfs/dbraw/zinc/68/63/17/1041686317.db2.gz MOTJASISZAWLJT-CQSZACIVSA-N 2 1 382.346 3.597 20 0 GHADMP CC1(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CCOCC1 ZINC001236377798 1041688818 /nfs/dbraw/zinc/68/88/18/1041688818.db2.gz MJASCJVZDNRGEV-UHFFFAOYSA-N 2 1 381.358 3.820 20 0 GHADMP Brc1coc(C[NH+]2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278928396 1041697397 /nfs/dbraw/zinc/69/73/97/1041697397.db2.gz ANQLURQCCLNGNR-UHFFFAOYSA-N 2 1 393.329 3.643 20 0 GHADMP Brc1coc(C[NH+]2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278928396 1041697401 /nfs/dbraw/zinc/69/74/01/1041697401.db2.gz ANQLURQCCLNGNR-UHFFFAOYSA-N 2 1 393.329 3.643 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]c3ncc(Cl)cc23)C2CC[NH2+]CC2)cc1 ZINC001236439434 1041711702 /nfs/dbraw/zinc/71/17/02/1041711702.db2.gz FUUJHDWXENFODH-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)C2CC[NH2+]CC2)cc1 ZINC001236439434 1041711712 /nfs/dbraw/zinc/71/17/12/1041711712.db2.gz FUUJHDWXENFODH-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1ccc(I)cc1)C1CC[NH2+]CC1 ZINC001236458588 1041721248 /nfs/dbraw/zinc/72/12/48/1041721248.db2.gz UESNRCIPGRSBMC-UHFFFAOYSA-N 2 1 386.321 3.891 20 0 GHADMP Fc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1F ZINC001278935874 1041722917 /nfs/dbraw/zinc/72/29/17/1041722917.db2.gz UAECQATYQMJXMT-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1F ZINC001278935874 1041722922 /nfs/dbraw/zinc/72/29/22/1041722922.db2.gz UAECQATYQMJXMT-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(Cl)c1F ZINC001278935874 1041722927 /nfs/dbraw/zinc/72/29/27/1041722927.db2.gz UAECQATYQMJXMT-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP O=C(c1cccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1)N1CC[NH2+]CC1 ZINC001236473230 1041730920 /nfs/dbraw/zinc/73/09/20/1041730920.db2.gz CJLRCRHSNLFRQG-RPWUZVMVSA-N 2 1 387.527 3.552 20 0 GHADMP O=C(c1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1)N1CC[NH2+]CC1 ZINC001236476116 1041731934 /nfs/dbraw/zinc/73/19/34/1041731934.db2.gz QZJHTJMKGVPOOF-RPWUZVMVSA-N 2 1 387.527 3.552 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256465529 1041745443 /nfs/dbraw/zinc/74/54/43/1041745443.db2.gz VMGMEOZLGAOCQS-JPLJXNOCSA-N 2 1 395.588 3.525 20 0 GHADMP COc1ccc(C[N@@H+](CCc2ccc(F)c(F)c2)C2CC[NH2+]CC2)cc1F ZINC001236514566 1041748104 /nfs/dbraw/zinc/74/81/04/1041748104.db2.gz DCRZNIWOCMUXRQ-UHFFFAOYSA-N 2 1 378.438 3.909 20 0 GHADMP COc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cc1O ZINC001236553039 1041759501 /nfs/dbraw/zinc/75/95/01/1041759501.db2.gz VVDDUSXGRZTGLA-SHTZXODSSA-N 2 1 385.346 3.891 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1ccc(-n2nccn2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236560208 1041763665 /nfs/dbraw/zinc/76/36/65/1041763665.db2.gz JFKFVLKPYYAZQW-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP Cc1nc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)o1 ZINC001236594796 1041771728 /nfs/dbraw/zinc/77/17/28/1041771728.db2.gz XYTKVSJLLBCWCF-KRWDZBQOSA-N 2 1 375.538 3.608 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ncc(C)c(OC)c1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714323 1041849885 /nfs/dbraw/zinc/84/98/85/1041849885.db2.gz MHUCTIISYIFDMU-MXVIHJGJSA-N 2 1 383.536 3.988 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2cnn3ccc(Cl)nc23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236727562 1041859611 /nfs/dbraw/zinc/85/96/11/1041859611.db2.gz WGTJHILGYMUTGQ-WGSAOQKQSA-N 2 1 383.927 3.963 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236742029 1041868613 /nfs/dbraw/zinc/86/86/13/1041868613.db2.gz MFTYMXODFPWKJC-HZCBDIJESA-N 2 1 384.495 3.813 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236758022 1041876379 /nfs/dbraw/zinc/87/63/79/1041876379.db2.gz ASKSXMYMGMTHAY-IYARVYRRSA-N 2 1 377.602 3.892 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@H]12 ZINC001236832627 1041921369 /nfs/dbraw/zinc/92/13/69/1041921369.db2.gz WGMTUEUAFNMKAL-FHLIZLRMSA-N 2 1 377.410 3.816 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@@H]12 ZINC001236831455 1041921596 /nfs/dbraw/zinc/92/15/96/1041921596.db2.gz RHSWIBRTWCVIRQ-MRCXROJRSA-N 2 1 379.220 3.517 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@@H]12 ZINC001236831455 1041921597 /nfs/dbraw/zinc/92/15/97/1041921597.db2.gz RHSWIBRTWCVIRQ-MRCXROJRSA-N 2 1 379.220 3.517 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001236860733 1041931629 /nfs/dbraw/zinc/93/16/29/1041931629.db2.gz UMXKVANVZQANME-UHFFFAOYSA-N 2 1 388.556 3.770 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC4(COc5ccccc54)CC3)ccc2F)CC1 ZINC001236966514 1041972323 /nfs/dbraw/zinc/97/23/23/1041972323.db2.gz JBVZEXMWKMJWQO-UHFFFAOYSA-N 2 1 395.522 3.504 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1sc(=O)[nH]c1Cl)CC2 ZINC001237151149 1042065439 /nfs/dbraw/zinc/06/54/39/1042065439.db2.gz WLHYADARTAIYAP-UHFFFAOYSA-N 2 1 392.956 3.774 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC1 ZINC001237251843 1042107725 /nfs/dbraw/zinc/10/77/25/1042107725.db2.gz YJCXKZLAQABNQY-IFMALSPDSA-N 2 1 396.966 3.875 20 0 GHADMP c1ccc(C2(C[NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)CCOCC2)cc1 ZINC001237275133 1042118658 /nfs/dbraw/zinc/11/86/58/1042118658.db2.gz KXJIYZICHHXQKE-UHFFFAOYSA-N 2 1 376.544 3.872 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnc(-c3ccccc3)o1)C2 ZINC001237363615 1042172007 /nfs/dbraw/zinc/17/20/07/1042172007.db2.gz CNDYIVYTBLIRHJ-OFNKIYASSA-N 2 1 381.520 3.522 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnc(-c3ccccc3)o1)C2 ZINC001237363615 1042172012 /nfs/dbraw/zinc/17/20/12/1042172012.db2.gz CNDYIVYTBLIRHJ-OFNKIYASSA-N 2 1 381.520 3.522 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC001237363615 1042172014 /nfs/dbraw/zinc/17/20/14/1042172014.db2.gz CNDYIVYTBLIRHJ-OFNKIYASSA-N 2 1 381.520 3.522 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC001237363615 1042172018 /nfs/dbraw/zinc/17/20/18/1042172018.db2.gz CNDYIVYTBLIRHJ-OFNKIYASSA-N 2 1 381.520 3.522 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393590 1042187570 /nfs/dbraw/zinc/18/75/70/1042187570.db2.gz CYPSXIFYILONMC-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393590 1042187573 /nfs/dbraw/zinc/18/75/73/1042187573.db2.gz CYPSXIFYILONMC-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237393590 1042187577 /nfs/dbraw/zinc/18/75/77/1042187577.db2.gz CYPSXIFYILONMC-WOJBJXKFSA-N 2 1 390.531 3.916 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237414734 1042197867 /nfs/dbraw/zinc/19/78/67/1042197867.db2.gz NNVKJZVUOMMRFL-FCHUYYIVSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237414734 1042197870 /nfs/dbraw/zinc/19/78/70/1042197870.db2.gz NNVKJZVUOMMRFL-FCHUYYIVSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001237414734 1042197875 /nfs/dbraw/zinc/19/78/75/1042197875.db2.gz NNVKJZVUOMMRFL-FCHUYYIVSA-N 2 1 377.532 3.989 20 0 GHADMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)CCC12C[NH2+]C2 ZINC001237431403 1042205637 /nfs/dbraw/zinc/20/56/37/1042205637.db2.gz RXDCVXUNPLCNKR-SFHVURJKSA-N 2 1 388.895 3.575 20 0 GHADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001237457853 1042216168 /nfs/dbraw/zinc/21/61/68/1042216168.db2.gz FUTVXOOZWLJPKP-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001237457853 1042216170 /nfs/dbraw/zinc/21/61/70/1042216170.db2.gz FUTVXOOZWLJPKP-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001237457853 1042216174 /nfs/dbraw/zinc/21/61/74/1042216174.db2.gz FUTVXOOZWLJPKP-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP Cc1c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cccc1-c1ccccc1 ZINC001237583860 1042272624 /nfs/dbraw/zinc/27/26/24/1042272624.db2.gz MPJIXCGQTPGUAZ-UHFFFAOYSA-N 2 1 391.559 3.648 20 0 GHADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccccc1Br ZINC001278127454 1042306162 /nfs/dbraw/zinc/30/61/62/1042306162.db2.gz XAGWJADJOSFUIX-YQQQUEKLSA-N 2 1 394.401 3.528 20 0 GHADMP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccccc1Br ZINC001278127454 1042306167 /nfs/dbraw/zinc/30/61/67/1042306167.db2.gz XAGWJADJOSFUIX-YQQQUEKLSA-N 2 1 394.401 3.528 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c1OCC3)CC2 ZINC001237748248 1042352298 /nfs/dbraw/zinc/35/22/98/1042352298.db2.gz RPPOAKHEYKJTIM-HSZRJFAPSA-N 2 1 392.543 3.877 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237896243 1042413867 /nfs/dbraw/zinc/41/38/67/1042413867.db2.gz REMGATAGBNXLBB-XMMPIXPASA-N 2 1 386.580 3.903 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237896243 1042413868 /nfs/dbraw/zinc/41/38/68/1042413868.db2.gz REMGATAGBNXLBB-XMMPIXPASA-N 2 1 386.580 3.903 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237896243 1042413869 /nfs/dbraw/zinc/41/38/69/1042413869.db2.gz REMGATAGBNXLBB-XMMPIXPASA-N 2 1 386.580 3.903 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237896243 1042413872 /nfs/dbraw/zinc/41/38/72/1042413872.db2.gz REMGATAGBNXLBB-XMMPIXPASA-N 2 1 386.580 3.903 20 0 GHADMP O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3cccc4cncn43)C2)C1 ZINC001238106454 1042493506 /nfs/dbraw/zinc/49/35/06/1042493506.db2.gz ZSMQFEFADLCQHO-NRFANRHFSA-N 2 1 380.517 3.524 20 0 GHADMP O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238106454 1042493513 /nfs/dbraw/zinc/49/35/13/1042493513.db2.gz ZSMQFEFADLCQHO-NRFANRHFSA-N 2 1 380.517 3.524 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001238105980 1042493648 /nfs/dbraw/zinc/49/36/48/1042493648.db2.gz WNLCKISBZCDLJA-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3cncn31)CC2 ZINC001238105980 1042493650 /nfs/dbraw/zinc/49/36/50/1042493650.db2.gz WNLCKISBZCDLJA-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3cncn31)CC2 ZINC001238105980 1042493654 /nfs/dbraw/zinc/49/36/54/1042493654.db2.gz WNLCKISBZCDLJA-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3cccc4cncn43)C2)CC1 ZINC001238105954 1042493817 /nfs/dbraw/zinc/49/38/17/1042493817.db2.gz WABBVXIQALLNAI-UHFFFAOYSA-N 2 1 380.517 3.524 20 0 GHADMP O=C(c1ccsc1)N1CCC2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)CC1 ZINC001238105954 1042493820 /nfs/dbraw/zinc/49/38/20/1042493820.db2.gz WABBVXIQALLNAI-UHFFFAOYSA-N 2 1 380.517 3.524 20 0 GHADMP O=C(c1ccsc1)N1CCC2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)CC1 ZINC001238105954 1042493823 /nfs/dbraw/zinc/49/38/23/1042493823.db2.gz WABBVXIQALLNAI-UHFFFAOYSA-N 2 1 380.517 3.524 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cncc(C5CC5)c4)CC3)C2)c1 ZINC001238184139 1042511665 /nfs/dbraw/zinc/51/16/65/1042511665.db2.gz ILNCFBRHQDUHLY-UHFFFAOYSA-N 2 1 383.561 3.888 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](CCc1c(Cl)cccc1Cl)C2 ZINC001278230771 1042590602 /nfs/dbraw/zinc/59/06/02/1042590602.db2.gz FNAUWTYMQQMWRA-FQEVSTJZSA-N 2 1 384.395 3.885 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](CCc1c(Cl)cccc1Cl)CC2 ZINC001278232137 1042594190 /nfs/dbraw/zinc/59/41/90/1042594190.db2.gz QVHUJMKRDJJFRA-UHFFFAOYSA-N 2 1 384.395 3.885 20 0 GHADMP CC(C)Oc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001238466733 1042606283 /nfs/dbraw/zinc/60/62/83/1042606283.db2.gz NNIDZUPVIXEOEZ-UHFFFAOYSA-N 2 1 395.547 3.736 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238500390 1042620534 /nfs/dbraw/zinc/62/05/34/1042620534.db2.gz BBGMEDJJSYEUJA-DHIUTWEWSA-N 2 1 399.554 3.610 20 0 GHADMP Cc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc(C)c1-c1ccc(F)cc1F ZINC001238550411 1042637021 /nfs/dbraw/zinc/63/70/21/1042637021.db2.gz SSQKGHSJFAKKSQ-UHFFFAOYSA-N 2 1 387.518 3.928 20 0 GHADMP CCOc1cc(F)c(F)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001238651282 1042670195 /nfs/dbraw/zinc/67/01/95/1042670195.db2.gz ABOQWCHIPDZABM-UHFFFAOYSA-N 2 1 382.495 3.688 20 0 GHADMP CC1(C)OCC(C[N@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)CO1 ZINC001278264796 1042679907 /nfs/dbraw/zinc/67/99/07/1042679907.db2.gz OLCVELJIASCLRV-GOSISDBHSA-N 2 1 378.479 3.516 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(F)cn1 ZINC001238735382 1042707216 /nfs/dbraw/zinc/70/72/16/1042707216.db2.gz OTGALGCKVUNGCH-PMACEKPBSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)cn1 ZINC001238735382 1042707219 /nfs/dbraw/zinc/70/72/19/1042707219.db2.gz OTGALGCKVUNGCH-PMACEKPBSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(F)cn1 ZINC001238735382 1042707226 /nfs/dbraw/zinc/70/72/26/1042707226.db2.gz OTGALGCKVUNGCH-PMACEKPBSA-N 2 1 383.511 3.963 20 0 GHADMP CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240386087 1042924214 /nfs/dbraw/zinc/92/42/14/1042924214.db2.gz ZJCBAHXEUIHIKQ-UHFFFAOYSA-N 2 1 378.520 3.814 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC000656539831 1043217746 /nfs/dbraw/zinc/21/77/46/1043217746.db2.gz WOYAAVGWARRWBB-NKKJXINNSA-N 3 1 376.548 3.551 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522000 1043447216 /nfs/dbraw/zinc/44/72/16/1043447216.db2.gz CCPUNTOLWOUFLU-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256522000 1043447232 /nfs/dbraw/zinc/44/72/32/1043447232.db2.gz CCPUNTOLWOUFLU-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256522861 1043448612 /nfs/dbraw/zinc/44/86/12/1043448612.db2.gz MCQLRWAUVLCTJE-ICGSVKGVSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256522861 1043448622 /nfs/dbraw/zinc/44/86/22/1043448622.db2.gz MCQLRWAUVLCTJE-ICGSVKGVSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC[N@@H+]1Cc1ccccc1 ZINC001256528340 1043458690 /nfs/dbraw/zinc/45/86/90/1043458690.db2.gz ZVDPZFBIRVWRQZ-MBMVPVEPSA-N 2 1 399.579 3.885 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC001256528340 1043458695 /nfs/dbraw/zinc/45/86/95/1043458695.db2.gz ZVDPZFBIRVWRQZ-MBMVPVEPSA-N 2 1 399.579 3.885 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256529728 1043459936 /nfs/dbraw/zinc/45/99/36/1043459936.db2.gz WLOMDIXUXATYDJ-CVDCTZTESA-N 2 1 380.532 3.935 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256529728 1043459958 /nfs/dbraw/zinc/45/99/58/1043459958.db2.gz WLOMDIXUXATYDJ-CVDCTZTESA-N 2 1 380.532 3.935 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530672 1043463091 /nfs/dbraw/zinc/46/30/91/1043463091.db2.gz DBQAAVLHWJOSBD-SIKLNZKXSA-N 2 1 385.596 3.709 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530672 1043463107 /nfs/dbraw/zinc/46/31/07/1043463107.db2.gz DBQAAVLHWJOSBD-SIKLNZKXSA-N 2 1 385.596 3.709 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535433 1043477926 /nfs/dbraw/zinc/47/79/26/1043477926.db2.gz ZIOMXKHORONTFQ-LEOXJPRUSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256535433 1043477934 /nfs/dbraw/zinc/47/79/34/1043477934.db2.gz ZIOMXKHORONTFQ-LEOXJPRUSA-N 2 1 395.522 3.683 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256536218 1043480095 /nfs/dbraw/zinc/48/00/95/1043480095.db2.gz JLYSJEHLCOFZRQ-OFNKIYASSA-N 2 1 393.575 3.998 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256538526 1043486888 /nfs/dbraw/zinc/48/68/88/1043486888.db2.gz UAQXJQCOAHEIFI-RLLPEYFOSA-N 2 1 383.580 3.857 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256538526 1043486900 /nfs/dbraw/zinc/48/69/00/1043486900.db2.gz UAQXJQCOAHEIFI-RLLPEYFOSA-N 2 1 383.580 3.857 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256538901 1043487086 /nfs/dbraw/zinc/48/70/86/1043487086.db2.gz VRKOWBRHQLGUQX-XXBNENTESA-N 2 1 379.548 3.574 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256538901 1043487105 /nfs/dbraw/zinc/48/71/05/1043487105.db2.gz VRKOWBRHQLGUQX-XXBNENTESA-N 2 1 379.548 3.574 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001256540670 1043491162 /nfs/dbraw/zinc/49/11/62/1043491162.db2.gz ZABNACNJAYRLOF-VDEHWKIFSA-N 2 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256540670 1043491168 /nfs/dbraw/zinc/49/11/68/1043491168.db2.gz ZABNACNJAYRLOF-VDEHWKIFSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256540670 1043491173 /nfs/dbraw/zinc/49/11/73/1043491173.db2.gz ZABNACNJAYRLOF-VDEHWKIFSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256540670 1043491178 /nfs/dbraw/zinc/49/11/78/1043491178.db2.gz ZABNACNJAYRLOF-VDEHWKIFSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256540670 1043491184 /nfs/dbraw/zinc/49/11/84/1043491184.db2.gz ZABNACNJAYRLOF-VDEHWKIFSA-N 3 1 385.596 3.790 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256540622 1043491878 /nfs/dbraw/zinc/49/18/78/1043491878.db2.gz GTFXHNKTPOVSDV-DENIHFKCSA-N 2 1 378.564 3.982 20 0 GHADMP Cc1cnc2n1CCC21CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256540622 1043491891 /nfs/dbraw/zinc/49/18/91/1043491891.db2.gz GTFXHNKTPOVSDV-DENIHFKCSA-N 2 1 378.564 3.982 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548590 1043509837 /nfs/dbraw/zinc/50/98/37/1043509837.db2.gz BLQRVDMVFFQCCQ-RDGATRHJSA-N 2 1 377.576 3.900 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548593 1043510409 /nfs/dbraw/zinc/51/04/09/1043510409.db2.gz BLSVGBIULVUZDS-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256548593 1043510417 /nfs/dbraw/zinc/51/04/17/1043510417.db2.gz BLSVGBIULVUZDS-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548593 1043510427 /nfs/dbraw/zinc/51/04/27/1043510427.db2.gz BLSVGBIULVUZDS-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256548593 1043510435 /nfs/dbraw/zinc/51/04/35/1043510435.db2.gz BLSVGBIULVUZDS-GIVPXCGWSA-N 2 1 387.568 3.886 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552305 1043516963 /nfs/dbraw/zinc/51/69/63/1043516963.db2.gz BELPFFUYAJSWCE-AGILITTLSA-N 2 1 385.596 3.615 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552305 1043516972 /nfs/dbraw/zinc/51/69/72/1043516972.db2.gz BELPFFUYAJSWCE-AGILITTLSA-N 2 1 385.596 3.615 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256552305 1043516985 /nfs/dbraw/zinc/51/69/85/1043516985.db2.gz BELPFFUYAJSWCE-AGILITTLSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@H](N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256553506 1043520418 /nfs/dbraw/zinc/52/04/18/1043520418.db2.gz HWCYAUPEVWHFRU-XUZZJYLKSA-N 2 1 375.560 3.857 20 0 GHADMP COc1cccnc1N(C1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256553118 1043521804 /nfs/dbraw/zinc/52/18/04/1043521804.db2.gz DYRXVKWJOZXAMR-KNQAVFIVSA-N 2 1 394.563 3.702 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256556126 1043525421 /nfs/dbraw/zinc/52/54/21/1043525421.db2.gz XFKQAJUYRMPMDP-QPPBQGQZSA-N 2 1 393.575 3.866 20 0 GHADMP COc1cccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256556126 1043525431 /nfs/dbraw/zinc/52/54/31/1043525431.db2.gz XFKQAJUYRMPMDP-QPPBQGQZSA-N 2 1 393.575 3.866 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556703 1043527196 /nfs/dbraw/zinc/52/71/96/1043527196.db2.gz IOCGHPYBVDXPIJ-ILWGZMRPSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556703 1043527203 /nfs/dbraw/zinc/52/72/03/1043527203.db2.gz IOCGHPYBVDXPIJ-ILWGZMRPSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556703 1043527211 /nfs/dbraw/zinc/52/72/11/1043527211.db2.gz IOCGHPYBVDXPIJ-ILWGZMRPSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@@H]2CCC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001256556703 1043527219 /nfs/dbraw/zinc/52/72/19/1043527219.db2.gz IOCGHPYBVDXPIJ-ILWGZMRPSA-N 2 1 395.547 3.987 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001256572972 1043546800 /nfs/dbraw/zinc/54/68/00/1043546800.db2.gz JBYQYHPGJYEIHC-HSZRJFAPSA-N 2 1 387.543 3.513 20 0 GHADMP c1ccc(C[NH+]2CCC([NH2+]CC3(Cc4cccnc4)CCOCC3)CC2)cc1 ZINC001256601083 1043563883 /nfs/dbraw/zinc/56/38/83/1043563883.db2.gz PAVGIMCKAKHFHS-UHFFFAOYSA-N 2 1 379.548 3.675 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccn2)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256601845 1043565830 /nfs/dbraw/zinc/56/58/30/1043565830.db2.gz HQPYLWCVDXQKTJ-AFARHQOCSA-N 2 1 378.564 3.818 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@H]21 ZINC001256605064 1043567620 /nfs/dbraw/zinc/56/76/20/1043567620.db2.gz AHHHXSPXXHJWNS-PZJWPPBQSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001256605064 1043567623 /nfs/dbraw/zinc/56/76/23/1043567623.db2.gz AHHHXSPXXHJWNS-PZJWPPBQSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001256605064 1043567630 /nfs/dbraw/zinc/56/76/30/1043567630.db2.gz AHHHXSPXXHJWNS-PZJWPPBQSA-N 2 1 385.552 3.592 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCN(Cc2ccccc2)CC1 ZINC001256605470 1043568889 /nfs/dbraw/zinc/56/88/89/1043568889.db2.gz CHKQGWBOVVLQKD-JOCHJYFZSA-N 2 1 385.596 3.663 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256613231 1043577334 /nfs/dbraw/zinc/57/73/34/1043577334.db2.gz ZLPVMDMRCPHCKB-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256613231 1043577338 /nfs/dbraw/zinc/57/73/38/1043577338.db2.gz ZLPVMDMRCPHCKB-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256613231 1043577345 /nfs/dbraw/zinc/57/73/45/1043577345.db2.gz ZLPVMDMRCPHCKB-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP COc1ccc([C@H]([NH3+])[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccc(OC)cc2)cc1 ZINC001256616335 1043579127 /nfs/dbraw/zinc/57/91/27/1043579127.db2.gz PHQANFJHBDHNFC-PBEBUTGESA-N 2 1 395.547 3.660 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC001256613870 1043579280 /nfs/dbraw/zinc/57/92/80/1043579280.db2.gz XIZVDOFWDLAFEV-UKILVPOCSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC001256613870 1043579282 /nfs/dbraw/zinc/57/92/82/1043579282.db2.gz XIZVDOFWDLAFEV-UKILVPOCSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815422 1043672169 /nfs/dbraw/zinc/67/21/69/1043672169.db2.gz SEFOVSOTOIDWIK-NEWJYFPISA-N 2 1 384.564 3.730 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815422 1043672176 /nfs/dbraw/zinc/67/21/76/1043672176.db2.gz SEFOVSOTOIDWIK-NEWJYFPISA-N 2 1 384.564 3.730 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815422 1043672182 /nfs/dbraw/zinc/67/21/82/1043672182.db2.gz SEFOVSOTOIDWIK-NEWJYFPISA-N 2 1 384.564 3.730 20 0 GHADMP Cn1c2ccccc2nc1[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC001256856414 1043704808 /nfs/dbraw/zinc/70/48/08/1043704808.db2.gz KZYFBDRFSOMFQY-HSZRJFAPSA-N 2 1 398.514 3.711 20 0 GHADMP C[C@H]1CC[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001256855792 1043705076 /nfs/dbraw/zinc/70/50/76/1043705076.db2.gz VYPFLUZMRWTPDM-ZWKOTPCHSA-N 2 1 388.556 3.533 20 0 GHADMP FC1(F)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856156 1043705105 /nfs/dbraw/zinc/70/51/05/1043705105.db2.gz FMAYLVSUYYPPIU-NRFANRHFSA-N 2 1 386.490 3.550 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256904018 1043732346 /nfs/dbraw/zinc/73/23/46/1043732346.db2.gz BHOHMBWMNJPOGL-OALUTQOASA-N 2 1 379.552 3.595 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256904018 1043732354 /nfs/dbraw/zinc/73/23/54/1043732354.db2.gz BHOHMBWMNJPOGL-OALUTQOASA-N 2 1 379.552 3.595 20 0 GHADMP OC[C@@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCO1 ZINC001256931597 1043757003 /nfs/dbraw/zinc/75/70/03/1043757003.db2.gz KTMXFUNFHQXLMB-STEQJIOHSA-N 2 1 394.559 3.693 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001257144609 1043894185 /nfs/dbraw/zinc/89/41/85/1043894185.db2.gz HIVIVWBCYLWREI-SIKLNZKXSA-N 2 1 380.532 3.906 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(C2CC[NH+](C(C)C)CC2)CC3)c1 ZINC001257217994 1043940065 /nfs/dbraw/zinc/94/00/65/1043940065.db2.gz XEIAACGUOSWRBV-UHFFFAOYSA-N 3 1 385.596 3.856 20 0 GHADMP CC(C)[NH+]1CCC([NH+](CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C)CC1 ZINC001257223881 1043941150 /nfs/dbraw/zinc/94/11/50/1043941150.db2.gz HCIVFQXIOAMDDN-UHFFFAOYSA-N 2 1 398.588 3.625 20 0 GHADMP CNC(=O)C[C@H]1CC2(CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c2ccccc21 ZINC001257220312 1043941189 /nfs/dbraw/zinc/94/11/89/1043941189.db2.gz NKJMHUVRWZVRRZ-IBGZPJMESA-N 2 1 383.580 3.516 20 0 GHADMP CCCCOC(=O)CC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001257381707 1043976156 /nfs/dbraw/zinc/97/61/56/1043976156.db2.gz SEFYYQZPFZQYQK-IBGZPJMESA-N 2 1 390.568 3.804 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257582604 1044066791 /nfs/dbraw/zinc/06/67/91/1044066791.db2.gz ZEMUBZWNMOHHNQ-CSPBNMCHSA-N 2 1 399.579 3.883 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257582604 1044066807 /nfs/dbraw/zinc/06/68/07/1044066807.db2.gz ZEMUBZWNMOHHNQ-CSPBNMCHSA-N 2 1 399.579 3.883 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)[C@@H](C)C1 ZINC001257756832 1044145579 /nfs/dbraw/zinc/14/55/79/1044145579.db2.gz QLNSQLNYYBKXKL-PKOBYXMFSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)c(OC3CCOCC3)c(F)c2)CC1 ZINC001258008042 1044333704 /nfs/dbraw/zinc/33/37/04/1044333704.db2.gz BSXYKRGOODLNLJ-UHFFFAOYSA-N 2 1 382.495 3.733 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001258013852 1044338023 /nfs/dbraw/zinc/33/80/23/1044338023.db2.gz YECASSUWJWZGDJ-IEBWSBKVSA-N 2 1 397.579 3.682 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001258013218 1044339761 /nfs/dbraw/zinc/33/97/61/1044339761.db2.gz NDNMVBPTBPUXFK-DENIHFKCSA-N 2 1 397.579 3.778 20 0 GHADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+](C4CC[NH+](CC(C)C)CC4)C3)C2=O)c1 ZINC001258015611 1044343312 /nfs/dbraw/zinc/34/33/12/1044343312.db2.gz YOHLLTFYMVFLJT-DEOSSOPVSA-N 2 1 383.580 3.540 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258063211 1044375655 /nfs/dbraw/zinc/37/56/55/1044375655.db2.gz FDZXTLWAEAHVQQ-MOPGFXCFSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258063211 1044375672 /nfs/dbraw/zinc/37/56/72/1044375672.db2.gz FDZXTLWAEAHVQQ-MOPGFXCFSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258063211 1044375689 /nfs/dbraw/zinc/37/56/89/1044375689.db2.gz FDZXTLWAEAHVQQ-MOPGFXCFSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258068095 1044380737 /nfs/dbraw/zinc/38/07/37/1044380737.db2.gz VPKMJUGDTKPQIB-VQTJNVASSA-N 2 1 391.604 3.557 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)nn3)C[C@H]2CC1 ZINC001279076933 1044403836 /nfs/dbraw/zinc/40/38/36/1044403836.db2.gz XNQCRFHSKYOWHN-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)nn3)C[C@H]2CC1 ZINC001279076933 1044403841 /nfs/dbraw/zinc/40/38/41/1044403841.db2.gz XNQCRFHSKYOWHN-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)nn3)C[C@H]2CC1 ZINC001279076933 1044403846 /nfs/dbraw/zinc/40/38/46/1044403846.db2.gz XNQCRFHSKYOWHN-OKILXGFUSA-N 2 1 376.854 3.616 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001258121030 1044408312 /nfs/dbraw/zinc/40/83/12/1044408312.db2.gz HMPIXZMZWMAUDH-SFHVURJKSA-N 2 1 394.581 3.537 20 0 GHADMP CC(C)CCNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136850 1044422246 /nfs/dbraw/zinc/42/22/46/1044422246.db2.gz WZYILKVOFJOROE-QHCPKHFHSA-N 2 1 387.612 3.860 20 0 GHADMP C[C@@H]1CC([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C[C@@H](C)C1 ZINC001258173737 1044454644 /nfs/dbraw/zinc/45/46/44/1044454644.db2.gz HWTACXXZNKWQMY-SFTDATJTSA-N 2 1 397.607 3.868 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001294139769 1044492533 /nfs/dbraw/zinc/49/25/33/1044492533.db2.gz QCMBPYGVQSAGCZ-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001294139769 1044492537 /nfs/dbraw/zinc/49/25/37/1044492537.db2.gz QCMBPYGVQSAGCZ-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001294139769 1044492549 /nfs/dbraw/zinc/49/25/49/1044492549.db2.gz QCMBPYGVQSAGCZ-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001258773992 1044758824 /nfs/dbraw/zinc/75/88/24/1044758824.db2.gz SNONKCLJPSZODZ-NRFANRHFSA-N 2 1 375.582 3.551 20 0 GHADMP CCC[NH+]1CCC([N@H+](CCCOC)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258775367 1044759458 /nfs/dbraw/zinc/75/94/58/1044759458.db2.gz MIWDFHSAAPFUPN-UHFFFAOYSA-N 2 1 397.604 3.599 20 0 GHADMP CCC[NH+]1CCC([N@@H+](CCCOC)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001258775367 1044759468 /nfs/dbraw/zinc/75/94/68/1044759468.db2.gz MIWDFHSAAPFUPN-UHFFFAOYSA-N 2 1 397.604 3.599 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC001258823547 1044774949 /nfs/dbraw/zinc/77/49/49/1044774949.db2.gz LYYAAQIHBJXNNM-NFBKMPQASA-N 2 1 383.580 3.622 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@@H]1CCC[C@H](C)C1)CC2 ZINC001258820950 1044775100 /nfs/dbraw/zinc/77/51/00/1044775100.db2.gz QQHDGIDSBVPOKL-NNWRFLSQSA-N 2 1 378.601 3.795 20 0 GHADMP CC(C)CC(CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258834394 1044780164 /nfs/dbraw/zinc/78/01/64/1044780164.db2.gz GZZOYMMCXGUKCW-UHFFFAOYSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)CC(CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258834394 1044780168 /nfs/dbraw/zinc/78/01/68/1044780168.db2.gz GZZOYMMCXGUKCW-UHFFFAOYSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)CC(CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258834394 1044780175 /nfs/dbraw/zinc/78/01/75/1044780175.db2.gz GZZOYMMCXGUKCW-UHFFFAOYSA-N 2 1 376.589 3.750 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1OC ZINC001258863572 1044803185 /nfs/dbraw/zinc/80/31/85/1044803185.db2.gz JOKNGAWYLIGEPH-SZVBFZGTSA-N 2 1 376.541 3.768 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001298378658 1045791702 /nfs/dbraw/zinc/79/17/02/1045791702.db2.gz MSZBSPXHKCIZAH-PKTZIBPZSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001298378658 1045791710 /nfs/dbraw/zinc/79/17/10/1045791710.db2.gz MSZBSPXHKCIZAH-PKTZIBPZSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001298378658 1045791723 /nfs/dbraw/zinc/79/17/23/1045791723.db2.gz MSZBSPXHKCIZAH-PKTZIBPZSA-N 2 1 385.596 3.520 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC001298899637 1045981274 /nfs/dbraw/zinc/98/12/74/1045981274.db2.gz XJCDHRNAWMHSBT-UHFFFAOYSA-N 2 1 396.579 3.884 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC001298899637 1045981280 /nfs/dbraw/zinc/98/12/80/1045981280.db2.gz XJCDHRNAWMHSBT-UHFFFAOYSA-N 2 1 396.579 3.884 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cs1)c1ccccc1 ZINC001262378906 1046254393 /nfs/dbraw/zinc/25/43/93/1046254393.db2.gz OFDSUEZVMCNDIZ-UEXGIBASSA-N 2 1 398.576 3.990 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cs1)c1ccccc1 ZINC001262378906 1046254408 /nfs/dbraw/zinc/25/44/08/1046254408.db2.gz OFDSUEZVMCNDIZ-UEXGIBASSA-N 2 1 398.576 3.990 20 0 GHADMP CC(C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001302682123 1047039968 /nfs/dbraw/zinc/03/99/68/1047039968.db2.gz YYSBNNOJUIRMLI-FQEVSTJZSA-N 2 1 390.620 3.587 20 0 GHADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4csc(Cl)c4)C[C@H]3CC2)[nH]1 ZINC001279116613 1047724173 /nfs/dbraw/zinc/72/41/73/1047724173.db2.gz QWCARKNWWWTIBH-IYBDPMFKSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4csc(Cl)c4)C[C@H]3CC2)[nH]1 ZINC001279116613 1047724182 /nfs/dbraw/zinc/72/41/82/1047724182.db2.gz QWCARKNWWWTIBH-IYBDPMFKSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4csc(Cl)c4)C[C@H]3CC2)[nH]1 ZINC001279116613 1047724189 /nfs/dbraw/zinc/72/41/89/1047724189.db2.gz QWCARKNWWWTIBH-IYBDPMFKSA-N 2 1 377.941 3.846 20 0 GHADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)cc1Cl ZINC001279227751 1047745061 /nfs/dbraw/zinc/74/50/61/1047745061.db2.gz RDNGUPFKAYBSHN-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279323140 1047767525 /nfs/dbraw/zinc/76/75/25/1047767525.db2.gz XTXCTHSETNVTPW-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279323140 1047767531 /nfs/dbraw/zinc/76/75/31/1047767531.db2.gz XTXCTHSETNVTPW-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP CC1(C)OC[C@H](C[N@@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)O1 ZINC001279469585 1047817947 /nfs/dbraw/zinc/81/79/47/1047817947.db2.gz MGHIWMBZIRVAOH-WMZOPIPTSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@H](C[N@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)O1 ZINC001279469585 1047817954 /nfs/dbraw/zinc/81/79/54/1047817954.db2.gz MGHIWMBZIRVAOH-WMZOPIPTSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@H](C[NH+]2CCC[C@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)O1 ZINC001279469585 1047817958 /nfs/dbraw/zinc/81/79/58/1047817958.db2.gz MGHIWMBZIRVAOH-WMZOPIPTSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@H](C[NH+]2CCC[C@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)O1 ZINC001279469585 1047817962 /nfs/dbraw/zinc/81/79/62/1047817962.db2.gz MGHIWMBZIRVAOH-WMZOPIPTSA-N 2 1 378.479 3.658 20 0 GHADMP Brc1sccc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279515642 1047831144 /nfs/dbraw/zinc/83/11/44/1047831144.db2.gz WAPZZBPJIPZOLI-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP Brc1sccc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279515642 1047831152 /nfs/dbraw/zinc/83/11/52/1047831152.db2.gz WAPZZBPJIPZOLI-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP Brc1sccc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279515642 1047831161 /nfs/dbraw/zinc/83/11/61/1047831161.db2.gz WAPZZBPJIPZOLI-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579457 1047848049 /nfs/dbraw/zinc/84/80/49/1047848049.db2.gz LUBRORKZHVHJFP-XAPVIXHLSA-N 2 1 375.988 3.649 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579457 1047848066 /nfs/dbraw/zinc/84/80/66/1047848066.db2.gz LUBRORKZHVHJFP-XAPVIXHLSA-N 2 1 375.988 3.649 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579457 1047848084 /nfs/dbraw/zinc/84/80/84/1047848084.db2.gz LUBRORKZHVHJFP-XAPVIXHLSA-N 2 1 375.988 3.649 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579457 1047848097 /nfs/dbraw/zinc/84/80/97/1047848097.db2.gz LUBRORKZHVHJFP-XAPVIXHLSA-N 2 1 375.988 3.649 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@H]2CC1 ZINC001279579457 1047848113 /nfs/dbraw/zinc/84/81/13/1047848113.db2.gz LUBRORKZHVHJFP-XAPVIXHLSA-N 2 1 375.988 3.649 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279636272 1047880399 /nfs/dbraw/zinc/88/03/99/1047880399.db2.gz INHAZPZEPXVINS-IYBDPMFKSA-N 2 1 394.350 3.764 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279636272 1047880410 /nfs/dbraw/zinc/88/04/10/1047880410.db2.gz INHAZPZEPXVINS-IYBDPMFKSA-N 2 1 394.350 3.764 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279636272 1047880427 /nfs/dbraw/zinc/88/04/27/1047880427.db2.gz INHAZPZEPXVINS-IYBDPMFKSA-N 2 1 394.350 3.764 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(F)c(C)c3Cl)C[C@H]2CC1 ZINC001279656196 1047897399 /nfs/dbraw/zinc/89/73/99/1047897399.db2.gz DQSFZHSUSVNPDW-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(F)c(C)c3Cl)C[C@H]2CC1 ZINC001279656196 1047897411 /nfs/dbraw/zinc/89/74/11/1047897411.db2.gz DQSFZHSUSVNPDW-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(F)c(C)c3Cl)C[C@H]2CC1 ZINC001279656196 1047897419 /nfs/dbraw/zinc/89/74/19/1047897419.db2.gz DQSFZHSUSVNPDW-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP CCCCc1nc(Cl)c(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001279684416 1047913793 /nfs/dbraw/zinc/91/37/93/1047913793.db2.gz JBLJUEVJJWFLCB-UHFFFAOYSA-N 2 1 375.948 3.832 20 0 GHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(OC(F)F)ccc1Br)CC2 ZINC001279698387 1047921455 /nfs/dbraw/zinc/92/14/55/1047921455.db2.gz IEUUXQWQVXKFLT-UHFFFAOYSA-N 2 1 389.284 3.968 20 0 GHADMP CCSCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175272 1048116357 /nfs/dbraw/zinc/11/63/57/1048116357.db2.gz KXTVKSWVCHRNFV-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CCSCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175272 1048116361 /nfs/dbraw/zinc/11/63/61/1048116361.db2.gz KXTVKSWVCHRNFV-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CCSCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175272 1048116364 /nfs/dbraw/zinc/11/63/64/1048116364.db2.gz KXTVKSWVCHRNFV-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001305541475 1048116419 /nfs/dbraw/zinc/11/64/19/1048116419.db2.gz XRFQIZXVKTUZMY-UXHICEINSA-N 2 1 392.636 3.831 20 0 GHADMP CCSCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)C1 ZINC001280175272 1048116369 /nfs/dbraw/zinc/11/63/69/1048116369.db2.gz KXTVKSWVCHRNFV-OAQYLSRUSA-N 2 1 375.582 3.686 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCCCC2)C1 ZINC001307458600 1049293864 /nfs/dbraw/zinc/29/38/64/1049293864.db2.gz IUBGKOSIQSHTBR-IRLDBZIGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCCC2)C1 ZINC001307458600 1049293878 /nfs/dbraw/zinc/29/38/78/1049293878.db2.gz IUBGKOSIQSHTBR-IRLDBZIGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCCC2)C1 ZINC001307458600 1049293897 /nfs/dbraw/zinc/29/38/97/1049293897.db2.gz IUBGKOSIQSHTBR-IRLDBZIGSA-N 2 1 383.580 3.812 20 0 GHADMP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307597733 1049435740 /nfs/dbraw/zinc/43/57/40/1049435740.db2.gz KFMLCNISAROEHY-PKTZIBPZSA-N 2 1 380.532 3.930 20 0 GHADMP COC(=O)C[C@@H]1CCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597733 1049435748 /nfs/dbraw/zinc/43/57/48/1049435748.db2.gz KFMLCNISAROEHY-PKTZIBPZSA-N 2 1 380.532 3.930 20 0 GHADMP COC(=O)C[C@@H]1CCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597733 1049435749 /nfs/dbraw/zinc/43/57/49/1049435749.db2.gz KFMLCNISAROEHY-PKTZIBPZSA-N 2 1 380.532 3.930 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3cccc(C)c3)CC2)cc1 ZINC001307601979 1049440258 /nfs/dbraw/zinc/44/02/58/1049440258.db2.gz NGPNCBZFWGJRCH-NRFANRHFSA-N 2 1 379.548 3.689 20 0 GHADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001307729639 1049542204 /nfs/dbraw/zinc/54/22/04/1049542204.db2.gz HMNCPUUAGWPBTF-NRFANRHFSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@@H](Oc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC001307911419 1049689224 /nfs/dbraw/zinc/68/92/24/1049689224.db2.gz UDFDEWRWYHXJKW-VQTJNVASSA-N 2 1 395.547 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001290499424 1049859376 /nfs/dbraw/zinc/85/93/76/1049859376.db2.gz YBMJIKWILXGEOD-VJBWXMMDSA-N 2 1 379.548 3.531 20 0 GHADMP CN(c1ccccc1CNC[C@H](C1CCCCC1)[NH+](C)C)C1CC[NH+](C)CC1 ZINC001308204018 1049911848 /nfs/dbraw/zinc/91/18/48/1049911848.db2.gz WUGCBUXOQXERKM-XMMPIXPASA-N 2 1 386.628 3.817 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC001308245999 1049924922 /nfs/dbraw/zinc/92/49/22/1049924922.db2.gz CCDDMUOFFRHYNK-PFATUAPWSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001308245999 1049924924 /nfs/dbraw/zinc/92/49/24/1049924924.db2.gz CCDDMUOFFRHYNK-PFATUAPWSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001308245999 1049924930 /nfs/dbraw/zinc/92/49/30/1049924930.db2.gz CCDDMUOFFRHYNK-PFATUAPWSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001308245999 1049924932 /nfs/dbraw/zinc/92/49/32/1049924932.db2.gz CCDDMUOFFRHYNK-PFATUAPWSA-N 2 1 377.576 3.976 20 0 GHADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC001308245999 1049924934 /nfs/dbraw/zinc/92/49/34/1049924934.db2.gz CCDDMUOFFRHYNK-PFATUAPWSA-N 2 1 377.576 3.976 20 0 GHADMP CC(C)(C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1)C[NH+]1CCCC1 ZINC001308391274 1049965193 /nfs/dbraw/zinc/96/51/93/1049965193.db2.gz XDWYLUTYFUWOOZ-UHFFFAOYSA-N 2 1 390.959 3.827 20 0 GHADMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)NCc1cccs1 ZINC001308834530 1050114668 /nfs/dbraw/zinc/11/46/68/1050114668.db2.gz FYZXQMXSWXQRPW-XWUOBKMESA-N 2 1 397.588 3.786 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCCC[C@@H]3[NH+](C)C)cc2)C1 ZINC001327674265 1050249688 /nfs/dbraw/zinc/24/96/88/1050249688.db2.gz MPAKCLAMMUKBPV-QIJUGHKUSA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)ccn1 ZINC001329440208 1050806821 /nfs/dbraw/zinc/80/68/21/1050806821.db2.gz DBJUIOPKEUBZNZ-HSZRJFAPSA-N 2 1 394.563 3.787 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)ccn1 ZINC001329440208 1050806832 /nfs/dbraw/zinc/80/68/32/1050806832.db2.gz DBJUIOPKEUBZNZ-HSZRJFAPSA-N 2 1 394.563 3.787 20 0 GHADMP [NH3+][C@H]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001332431875 1051519799 /nfs/dbraw/zinc/51/97/99/1051519799.db2.gz NBFIMVBKIWDGCK-MSOLQXFVSA-N 2 1 384.351 3.592 20 0 GHADMP Cc1c(C(=O)N(C[C@@H](C)[NH+](C)C)c2c(C)cccc2C)cnn1-c1cc[nH+]cc1 ZINC001332519996 1051535806 /nfs/dbraw/zinc/53/58/06/1051535806.db2.gz FPERVMXMALTOIK-GOSISDBHSA-N 2 1 391.519 3.789 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(C)c1OC ZINC001311014289 1051773355 /nfs/dbraw/zinc/77/33/55/1051773355.db2.gz VWEDCQZPZGWERG-KRWDZBQOSA-N 2 1 396.963 3.537 20 0 GHADMP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311404981 1052110385 /nfs/dbraw/zinc/11/03/85/1052110385.db2.gz GXJPHYOVKSKHHV-KCZVDYSFSA-N 2 1 386.584 3.728 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c(Cl)nc21 ZINC001335581483 1052135080 /nfs/dbraw/zinc/13/50/80/1052135080.db2.gz FDLWNMROBMUQBC-LESCRADOSA-N 2 1 375.948 3.828 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487215 1052194937 /nfs/dbraw/zinc/19/49/37/1052194937.db2.gz OVSZXQHOVQJEFZ-HSALFYBXSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487215 1052194942 /nfs/dbraw/zinc/19/49/42/1052194942.db2.gz OVSZXQHOVQJEFZ-HSALFYBXSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC001311487215 1052194943 /nfs/dbraw/zinc/19/49/43/1052194943.db2.gz OVSZXQHOVQJEFZ-HSALFYBXSA-N 2 1 392.975 3.649 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001311535174 1052227675 /nfs/dbraw/zinc/22/76/75/1052227675.db2.gz XIMCJVHNZGRBHK-GMAHTHKFSA-N 2 1 388.600 3.707 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001311564805 1052248634 /nfs/dbraw/zinc/24/86/34/1052248634.db2.gz SYBRDDOZDQLRDT-APKLWFBNSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@@H](C)C[NH+](CC)CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001311749533 1052373727 /nfs/dbraw/zinc/37/37/27/1052373727.db2.gz LZWAFKVBNJKNJS-RBBKRZOGSA-N 2 1 388.600 3.803 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1)C[C@@H]1CCCCO1 ZINC001337239797 1052431165 /nfs/dbraw/zinc/43/11/65/1052431165.db2.gz RGJFZNGAPJGKBC-FQEVSTJZSA-N 2 1 375.557 3.793 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001312024537 1052535063 /nfs/dbraw/zinc/53/50/63/1052535063.db2.gz LJETXAOTWZFQAT-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001312118454 1052582892 /nfs/dbraw/zinc/58/28/92/1052582892.db2.gz GRYUBBRYFSGCRE-FKBYEOEOSA-N 2 1 386.584 3.555 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001312647163 1052824447 /nfs/dbraw/zinc/82/44/47/1052824447.db2.gz SZCCGFJKQNQAKS-XZOQPEGZSA-N 2 1 398.595 3.735 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC001313002407 1052930961 /nfs/dbraw/zinc/93/09/61/1052930961.db2.gz NRVSQELWFGWRHA-URXFXBBRSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC001313002407 1052930962 /nfs/dbraw/zinc/93/09/62/1052930962.db2.gz NRVSQELWFGWRHA-URXFXBBRSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC001313002407 1052930963 /nfs/dbraw/zinc/93/09/63/1052930963.db2.gz NRVSQELWFGWRHA-URXFXBBRSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC001342325090 1053109191 /nfs/dbraw/zinc/10/91/91/1053109191.db2.gz KSJMPBSVLDKBAW-XMMPIXPASA-N 2 1 390.506 3.852 20 0 GHADMP [NH3+]C[C@H]1CCCC12CCN(C(=O)[C@@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CC2 ZINC001342760645 1053342002 /nfs/dbraw/zinc/34/20/02/1053342002.db2.gz FJEDSPVKJRIWOH-WOJBJXKFSA-N 2 1 398.595 3.861 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001343394314 1053746385 /nfs/dbraw/zinc/74/63/85/1053746385.db2.gz LRDWVOBXLPXTSB-YADHBBJMSA-N 2 1 383.580 3.575 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC001319500890 1055292537 /nfs/dbraw/zinc/29/25/37/1055292537.db2.gz ZUXZBYABZQSMSI-XZOQPEGZSA-N 2 1 383.580 3.540 20 0 GHADMP Cc1c(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc2c[nH+]cn21 ZINC001319985336 1055580808 /nfs/dbraw/zinc/58/08/08/1055580808.db2.gz NFWHXAIIFUPBDL-KRWDZBQOSA-N 2 1 376.504 3.947 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3c(c2)oc2ccccc23)CC1 ZINC001322428025 1056699636 /nfs/dbraw/zinc/69/96/36/1056699636.db2.gz OZRYETBSBTVGJQ-UHFFFAOYSA-N 2 1 386.455 3.985 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000848899390 1057407197 /nfs/dbraw/zinc/40/71/97/1057407197.db2.gz NFDIDCHPCYQAIM-SWECLWCZSA-N 2 1 382.504 3.856 20 0 GHADMP O[C@@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000848911792 1057415817 /nfs/dbraw/zinc/41/58/17/1057415817.db2.gz IGONAZLSKDCXGS-LPHOPBHVSA-N 2 1 387.351 3.650 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC001356506243 1057531713 /nfs/dbraw/zinc/53/17/13/1057531713.db2.gz GPLRBQJRDWTANP-IRMYBRCSSA-N 2 1 385.596 3.914 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001356506243 1057531718 /nfs/dbraw/zinc/53/17/18/1057531718.db2.gz GPLRBQJRDWTANP-IRMYBRCSSA-N 2 1 385.596 3.914 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001356506243 1057531722 /nfs/dbraw/zinc/53/17/22/1057531722.db2.gz GPLRBQJRDWTANP-IRMYBRCSSA-N 2 1 385.596 3.914 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1cccc(OC)c1 ZINC000849081311 1057584979 /nfs/dbraw/zinc/58/49/79/1057584979.db2.gz RENKOQKPLHYRQW-IBGZPJMESA-N 2 1 376.451 3.993 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1 ZINC000849090952 1057589757 /nfs/dbraw/zinc/58/97/57/1057589757.db2.gz UGCOLLHTZGOJOM-UHFFFAOYSA-N 2 1 378.442 3.971 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)cc1 ZINC001442596116 1058981481 /nfs/dbraw/zinc/98/14/81/1058981481.db2.gz URINLLRMVXBMET-ZEQRLZLVSA-N 2 1 391.559 3.770 20 0 GHADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001443206428 1059084640 /nfs/dbraw/zinc/08/46/40/1059084640.db2.gz LAYVMOFEVLGTLJ-JOCHJYFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001443206428 1059084665 /nfs/dbraw/zinc/08/46/65/1059084665.db2.gz LAYVMOFEVLGTLJ-JOCHJYFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001443206428 1059084686 /nfs/dbraw/zinc/08/46/86/1059084686.db2.gz LAYVMOFEVLGTLJ-JOCHJYFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001443206428 1059084710 /nfs/dbraw/zinc/08/47/10/1059084710.db2.gz LAYVMOFEVLGTLJ-JOCHJYFZSA-N 2 1 389.559 3.903 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001444838444 1059392439 /nfs/dbraw/zinc/39/24/39/1059392439.db2.gz CNILVYOPJSHTCH-RPWUZVMVSA-N 2 1 391.559 3.947 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001444838444 1059392459 /nfs/dbraw/zinc/39/24/59/1059392459.db2.gz CNILVYOPJSHTCH-RPWUZVMVSA-N 2 1 391.559 3.947 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001445084895 1059457731 /nfs/dbraw/zinc/45/77/31/1059457731.db2.gz JWJALGADSZOFKI-VWLOTQADSA-N 2 1 397.607 3.869 20 0 GHADMP C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC001445084666 1059458296 /nfs/dbraw/zinc/45/82/96/1059458296.db2.gz JHVOLPNESMEBMF-IERDGZPVSA-N 2 1 385.939 3.506 20 0 GHADMP C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC001445084666 1059458307 /nfs/dbraw/zinc/45/83/07/1059458307.db2.gz JHVOLPNESMEBMF-IERDGZPVSA-N 2 1 385.939 3.506 20 0 GHADMP C[C@H]([C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC001445194983 1059478297 /nfs/dbraw/zinc/47/82/97/1059478297.db2.gz WFZDZHQPBJKYOJ-RBUKOAKNSA-N 2 1 379.633 3.959 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448059685 1060093163 /nfs/dbraw/zinc/09/31/63/1060093163.db2.gz CLLYCHMWGBJNTF-MSOLQXFVSA-N 2 1 385.474 3.545 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC001449173383 1060346202 /nfs/dbraw/zinc/34/62/02/1060346202.db2.gz LYCYINDFADULIS-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC001449173383 1060346228 /nfs/dbraw/zinc/34/62/28/1060346228.db2.gz LYCYINDFADULIS-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC001449173383 1060346249 /nfs/dbraw/zinc/34/62/49/1060346249.db2.gz LYCYINDFADULIS-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1 ZINC001449173383 1060346269 /nfs/dbraw/zinc/34/62/69/1060346269.db2.gz LYCYINDFADULIS-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC001341113450 1060412319 /nfs/dbraw/zinc/41/23/19/1060412319.db2.gz VBJAOVTYBFWPCE-FGZHOGPDSA-N 2 1 398.526 3.522 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC001341113450 1060412334 /nfs/dbraw/zinc/41/23/34/1060412334.db2.gz VBJAOVTYBFWPCE-FGZHOGPDSA-N 2 1 398.526 3.522 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC001341113450 1060412347 /nfs/dbraw/zinc/41/23/47/1060412347.db2.gz VBJAOVTYBFWPCE-FGZHOGPDSA-N 2 1 398.526 3.522 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1[NH2+]CC12CCCC2 ZINC001341291275 1060557188 /nfs/dbraw/zinc/55/71/88/1060557188.db2.gz LWXAHAYETPZCLV-GOSISDBHSA-N 2 1 396.362 3.606 20 0 GHADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC001452977184 1061054989 /nfs/dbraw/zinc/05/49/89/1061054989.db2.gz RMFPJRFPNVILQA-QFIPXVFZSA-N 2 1 390.531 3.680 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)[NH+](C)C ZINC001453163243 1061084719 /nfs/dbraw/zinc/08/47/19/1061084719.db2.gz JBYMQCIXWZIGCX-QUURXOELSA-N 2 1 393.575 3.533 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H](F)C1)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC001455651121 1062249729 /nfs/dbraw/zinc/24/97/29/1062249729.db2.gz UGVAKGGDORFTDP-HNNXBMFYSA-N 2 1 387.421 3.674 20 0 GHADMP O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001459316187 1064059603 /nfs/dbraw/zinc/05/96/03/1064059603.db2.gz VIJHTFBIIMRVEX-DEOSSOPVSA-N 2 1 397.607 3.569 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCc1cccc2ccccc21)c1ccccc1 ZINC001459395231 1064086178 /nfs/dbraw/zinc/08/61/78/1064086178.db2.gz PXUDHPXWPJJKSX-DEOSSOPVSA-N 2 1 389.543 3.733 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCN(CC[N@@H+](C)Cc4ccccc4)CC3)cc2c1 ZINC001459447116 1064101185 /nfs/dbraw/zinc/10/11/85/1064101185.db2.gz LLOKTLOMLLZZJJ-UHFFFAOYSA-N 2 1 388.559 3.793 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCN(CC[N@H+](C)Cc4ccccc4)CC3)cc2c1 ZINC001459447116 1064101187 /nfs/dbraw/zinc/10/11/87/1064101187.db2.gz LLOKTLOMLLZZJJ-UHFFFAOYSA-N 2 1 388.559 3.793 20 0 GHADMP CC1CCN(Cc2csc(NC(=O)C[N@H+]3CCCC(C)(C)CC3)n2)CC1 ZINC001459562850 1064128365 /nfs/dbraw/zinc/12/83/65/1064128365.db2.gz VQKMSNZCDLMISL-UHFFFAOYSA-N 2 1 378.586 3.826 20 0 GHADMP CCc1cc2c(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)cc(=O)oc2cc1O ZINC001459875533 1064252673 /nfs/dbraw/zinc/25/26/73/1064252673.db2.gz DQIMFVFBVMMABX-UHFFFAOYSA-N 2 1 380.488 3.755 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001464220347 1064913895 /nfs/dbraw/zinc/91/38/95/1064913895.db2.gz RWQQUFUYAIIQCD-WOIUINJBSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001464220347 1064913896 /nfs/dbraw/zinc/91/38/96/1064913896.db2.gz RWQQUFUYAIIQCD-WOIUINJBSA-N 2 1 389.559 3.664 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001464300829 1064947555 /nfs/dbraw/zinc/94/75/55/1064947555.db2.gz PMELOSXBZISNEC-OAQYLSRUSA-N 2 1 395.547 3.520 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC001200069379 1065121392 /nfs/dbraw/zinc/12/13/92/1065121392.db2.gz HEPKISAGRWSZIR-FQEVSTJZSA-N 2 1 388.556 3.546 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2c1ccn2CC(C)C ZINC001464694533 1065161061 /nfs/dbraw/zinc/16/10/61/1065161061.db2.gz LORYCKRUQJWHIH-FQEVSTJZSA-N 2 1 398.595 3.785 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C[N@H+]2C1 ZINC001465257153 1065504566 /nfs/dbraw/zinc/50/45/66/1065504566.db2.gz FXJOIBYLBRUHAB-RNTGTLJKSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C[NH+]2C1 ZINC001465257153 1065504581 /nfs/dbraw/zinc/50/45/81/1065504581.db2.gz FXJOIBYLBRUHAB-RNTGTLJKSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[NH+]2C1 ZINC001465257153 1065504595 /nfs/dbraw/zinc/50/45/95/1065504595.db2.gz FXJOIBYLBRUHAB-RNTGTLJKSA-N 2 1 383.580 3.618 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1cccc(OC)c1 ZINC001466700540 1066264849 /nfs/dbraw/zinc/26/48/49/1066264849.db2.gz BGVQMLNGBXDZCF-HXUWFJFHSA-N 2 1 395.507 3.856 20 0 GHADMP C[C@H]1CCC[N@H+]1CCNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001466929727 1066396667 /nfs/dbraw/zinc/39/66/67/1066396667.db2.gz HEYJQUZCNOANMB-SFHVURJKSA-N 2 1 390.597 3.870 20 0 GHADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001477677770 1078521526 /nfs/dbraw/zinc/52/15/26/1078521526.db2.gz QTNMGQGOYHYNPD-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001467674803 1067411723 /nfs/dbraw/zinc/41/17/23/1067411723.db2.gz BBWRIZQGHPNTLT-GMAHTHKFSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001467674803 1067411726 /nfs/dbraw/zinc/41/17/26/1067411726.db2.gz BBWRIZQGHPNTLT-GMAHTHKFSA-N 2 1 398.595 3.530 20 0 GHADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCCCC1 ZINC001467683853 1067419077 /nfs/dbraw/zinc/41/90/77/1067419077.db2.gz NRWKEFNSWIWVOI-OAQYLSRUSA-N 2 1 380.621 3.841 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001467692608 1067424608 /nfs/dbraw/zinc/42/46/08/1067424608.db2.gz PBXPBEJPODAUFJ-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[NH+]2CCCC2)cc1 ZINC001468387766 1067713863 /nfs/dbraw/zinc/71/38/63/1067713863.db2.gz JCIMDUIAICXVEU-GOTSBHOMSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H](NC(=[NH2+])NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1Cl ZINC000849104097 1067730587 /nfs/dbraw/zinc/73/05/87/1067730587.db2.gz JYYDXANGLJIETD-UONOGXRCSA-N 2 1 387.355 3.669 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C ZINC001468444242 1067733411 /nfs/dbraw/zinc/73/34/11/1067733411.db2.gz SABFPQKAURQWHB-NJDAHSKKSA-N 2 1 394.648 3.896 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CC1)CC(C)C ZINC001468609922 1067790059 /nfs/dbraw/zinc/79/00/59/1067790059.db2.gz HWTNDUZXPORTTR-RTWAWAEBSA-N 2 1 380.621 3.649 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@H](C)[NH+](Cc2ccccc2)C[C@H]1C ZINC001468947301 1067935052 /nfs/dbraw/zinc/93/50/52/1067935052.db2.gz NTRONAWKIXAXQW-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001468947301 1067935056 /nfs/dbraw/zinc/93/50/56/1067935056.db2.gz NTRONAWKIXAXQW-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001468947301 1067935060 /nfs/dbraw/zinc/93/50/60/1067935060.db2.gz NTRONAWKIXAXQW-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C[NH+]1Cc1ccccc1 ZINC001469433253 1068161773 /nfs/dbraw/zinc/16/17/73/1068161773.db2.gz XSWPGQLERLOUFA-YPIGPJMWSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C[N@@H+]1Cc1ccccc1 ZINC001469433253 1068161777 /nfs/dbraw/zinc/16/17/77/1068161777.db2.gz XSWPGQLERLOUFA-YPIGPJMWSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C[N@H+]1Cc1ccccc1 ZINC001469433253 1068161781 /nfs/dbraw/zinc/16/17/81/1068161781.db2.gz XSWPGQLERLOUFA-YPIGPJMWSA-N 2 1 398.595 3.603 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)C ZINC001478056565 1078694271 /nfs/dbraw/zinc/69/42/71/1078694271.db2.gz CVMZUAGCWIAMEW-CBQOVEMMSA-N 2 1 386.584 3.550 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001470067318 1068552921 /nfs/dbraw/zinc/55/29/21/1068552921.db2.gz JNVIREDLTWUYGP-UONOGXRCSA-N 2 1 389.371 3.626 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001470067318 1068552936 /nfs/dbraw/zinc/55/29/36/1068552936.db2.gz JNVIREDLTWUYGP-UONOGXRCSA-N 2 1 389.371 3.626 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001470088382 1068566162 /nfs/dbraw/zinc/56/61/62/1068566162.db2.gz WFCQHVVRXVUHRL-QFIPXVFZSA-N 2 1 394.563 3.539 20 0 GHADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001470381786 1068712587 /nfs/dbraw/zinc/71/25/87/1068712587.db2.gz BDQNXLZBCBQUMA-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001470381786 1068712588 /nfs/dbraw/zinc/71/25/88/1068712588.db2.gz BDQNXLZBCBQUMA-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001470381786 1068712593 /nfs/dbraw/zinc/71/25/93/1068712593.db2.gz BDQNXLZBCBQUMA-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001470381786 1068712598 /nfs/dbraw/zinc/71/25/98/1068712598.db2.gz BDQNXLZBCBQUMA-SFHVURJKSA-N 2 1 394.991 3.678 20 0 GHADMP CC(=O)NC[C@H]1CCCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001460556001 1068994797 /nfs/dbraw/zinc/99/47/97/1068994797.db2.gz QWIPGFILMOTQKW-JWQCQUIFSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@H]1CCCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001460556001 1068994798 /nfs/dbraw/zinc/99/47/98/1068994798.db2.gz QWIPGFILMOTQKW-JWQCQUIFSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001460556001 1068994804 /nfs/dbraw/zinc/99/48/04/1068994804.db2.gz QWIPGFILMOTQKW-JWQCQUIFSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001460556001 1068994805 /nfs/dbraw/zinc/99/48/05/1068994805.db2.gz QWIPGFILMOTQKW-JWQCQUIFSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001460556006 1068995697 /nfs/dbraw/zinc/99/56/97/1068995697.db2.gz QWIPGFILMOTQKW-RPBOFIJWSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001460556006 1068995699 /nfs/dbraw/zinc/99/56/99/1068995699.db2.gz QWIPGFILMOTQKW-RPBOFIJWSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001460556006 1068995703 /nfs/dbraw/zinc/99/57/03/1068995703.db2.gz QWIPGFILMOTQKW-RPBOFIJWSA-N 2 1 393.575 3.893 20 0 GHADMP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001460556006 1068995708 /nfs/dbraw/zinc/99/57/08/1068995708.db2.gz QWIPGFILMOTQKW-RPBOFIJWSA-N 2 1 393.575 3.893 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)CC2 ZINC001460605997 1069023475 /nfs/dbraw/zinc/02/34/75/1069023475.db2.gz PXOYNBAQEOHYFP-GOSISDBHSA-N 2 1 396.362 3.907 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)c1 ZINC001470713241 1072699858 /nfs/dbraw/zinc/69/98/58/1072699858.db2.gz MHTVROAINSRKOK-QHCPKHFHSA-N 2 1 377.532 3.595 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001478686725 1078956311 /nfs/dbraw/zinc/95/63/11/1078956311.db2.gz GWGNBJWPLDLNCS-VSKRKVRLSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCCC3)CC2)c1 ZINC001471114367 1072928189 /nfs/dbraw/zinc/92/81/89/1072928189.db2.gz CGEDFOVLOUTHHY-QHCPKHFHSA-N 2 1 398.595 3.619 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)CC2)c1 ZINC001471114367 1072928194 /nfs/dbraw/zinc/92/81/94/1072928194.db2.gz CGEDFOVLOUTHHY-QHCPKHFHSA-N 2 1 398.595 3.619 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001478984305 1079051230 /nfs/dbraw/zinc/05/12/30/1079051230.db2.gz MINFFAKLJHDNGO-IFMALSPDSA-N 2 1 390.616 3.691 20 0 GHADMP CC1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC001472410005 1073473077 /nfs/dbraw/zinc/47/30/77/1073473077.db2.gz WIDVGLDLOKVWDX-LJQANCHMSA-N 2 1 375.532 3.559 20 0 GHADMP CC1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC001472410005 1073473082 /nfs/dbraw/zinc/47/30/82/1073473082.db2.gz WIDVGLDLOKVWDX-LJQANCHMSA-N 2 1 375.532 3.559 20 0 GHADMP CN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001479107814 1079106922 /nfs/dbraw/zinc/10/69/22/1079106922.db2.gz UKRIRWHROZRLRG-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473144392 1073806048 /nfs/dbraw/zinc/80/60/48/1073806048.db2.gz KRKIIESORYXZGP-NHCUHLMSSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1C1CCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473144392 1073806059 /nfs/dbraw/zinc/80/60/59/1073806059.db2.gz KRKIIESORYXZGP-NHCUHLMSSA-N 2 1 389.971 3.858 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC3(CCOCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC001473205476 1073858143 /nfs/dbraw/zinc/85/81/43/1073858143.db2.gz HZJOFRGMBGNBEU-PUHATCMVSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCC3(CCOCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC001473205476 1073858156 /nfs/dbraw/zinc/85/81/56/1073858156.db2.gz HZJOFRGMBGNBEU-PUHATCMVSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC3(CCOCC3)CO2)CC[NH+]1Cc1ccccc1 ZINC001473205476 1073858162 /nfs/dbraw/zinc/85/81/62/1073858162.db2.gz HZJOFRGMBGNBEU-PUHATCMVSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC3(CCOCC3)CO2)CC[NH+]1Cc1ccccc1 ZINC001473205476 1073858171 /nfs/dbraw/zinc/85/81/71/1073858171.db2.gz HZJOFRGMBGNBEU-PUHATCMVSA-N 2 1 386.580 3.947 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001473212459 1073863515 /nfs/dbraw/zinc/86/35/15/1073863515.db2.gz JXMBXAJYLMSTHY-RUZDIDTESA-N 2 1 383.624 3.995 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001473212460 1073864293 /nfs/dbraw/zinc/86/42/93/1073864293.db2.gz JXMBXAJYLMSTHY-VWLOTQADSA-N 2 1 383.624 3.995 20 0 GHADMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC001473329487 1073923318 /nfs/dbraw/zinc/92/33/18/1073923318.db2.gz HVRSOJOVLPNCGC-JTQLQIEISA-N 2 1 378.731 3.508 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C[NH+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390173 1073946108 /nfs/dbraw/zinc/94/61/08/1073946108.db2.gz XVRMSWVYAJECOD-WWPVKYPJSA-N 2 1 380.532 3.786 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390173 1073946111 /nfs/dbraw/zinc/94/61/11/1073946111.db2.gz XVRMSWVYAJECOD-WWPVKYPJSA-N 2 1 380.532 3.786 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)[C@H]1C ZINC001473390173 1073946117 /nfs/dbraw/zinc/94/61/17/1073946117.db2.gz XVRMSWVYAJECOD-WWPVKYPJSA-N 2 1 380.532 3.786 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001479356207 1079187091 /nfs/dbraw/zinc/18/70/91/1079187091.db2.gz USORCXMQENOZGZ-UHFFFAOYSA-N 2 1 398.595 3.619 20 0 GHADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473435295 1073961894 /nfs/dbraw/zinc/96/18/94/1073961894.db2.gz YHNBPSROERNQDF-QFIPXVFZSA-N 2 1 399.623 3.516 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@H]21 ZINC001473725348 1074110027 /nfs/dbraw/zinc/11/00/27/1074110027.db2.gz NTUBYXAZCYKQIB-NZQKXSOJSA-N 2 1 393.531 3.620 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@H]21 ZINC001473725348 1074110030 /nfs/dbraw/zinc/11/00/30/1074110030.db2.gz NTUBYXAZCYKQIB-NZQKXSOJSA-N 2 1 393.531 3.620 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@H]21 ZINC001473725348 1074110034 /nfs/dbraw/zinc/11/00/34/1074110034.db2.gz NTUBYXAZCYKQIB-NZQKXSOJSA-N 2 1 393.531 3.620 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@H]21 ZINC001473725348 1074110037 /nfs/dbraw/zinc/11/00/37/1074110037.db2.gz NTUBYXAZCYKQIB-NZQKXSOJSA-N 2 1 393.531 3.620 20 0 GHADMP Cc1ccc([C@@H]2CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2(C)C)cc1 ZINC001473750532 1074122793 /nfs/dbraw/zinc/12/27/93/1074122793.db2.gz JVJCNWFJSJRPPM-GOTSBHOMSA-N 2 1 393.575 3.982 20 0 GHADMP CC[NH+](CC)CCC[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001473912691 1074201019 /nfs/dbraw/zinc/20/10/19/1074201019.db2.gz UBSXFKFQDUBIOM-UHFFFAOYSA-N 2 1 375.557 3.801 20 0 GHADMP C[C@@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)C[NH+]1CCCC1 ZINC001473940132 1074212435 /nfs/dbraw/zinc/21/24/35/1074212435.db2.gz PVDRCRLNSOSZJC-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001474234334 1074303360 /nfs/dbraw/zinc/30/33/60/1074303360.db2.gz LVZJHQYGJQCRMT-TZIWHRDSSA-N 2 1 385.596 3.771 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC001474436954 1074406096 /nfs/dbraw/zinc/40/60/96/1074406096.db2.gz QLOOSMTUVBZXIF-FQEVSTJZSA-N 2 1 379.331 3.892 20 0 GHADMP CC[N@@H+](CCC[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C1CCCCC1 ZINC001474615007 1074485773 /nfs/dbraw/zinc/48/57/73/1074485773.db2.gz JRYAOFHTPWTBNV-LJQANCHMSA-N 2 1 397.604 3.993 20 0 GHADMP COc1ccc(C2=NO[C@H](C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H](C)C4)CC3)C2)cc1 ZINC001474692632 1074518755 /nfs/dbraw/zinc/51/87/55/1074518755.db2.gz JLERLSYUSXGWKI-ZNLUXHQJSA-N 2 1 385.552 3.821 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001476124580 1075089054 /nfs/dbraw/zinc/08/90/54/1075089054.db2.gz OQXKZZNFSBTBMH-NHCUHLMSSA-N 2 1 388.556 3.546 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001495587003 1079419210 /nfs/dbraw/zinc/41/92/10/1079419210.db2.gz FRMZUNQRXAWUCJ-ZCNNSNEGSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000820703501 606408657 /nfs/dbraw/zinc/40/86/57/606408657.db2.gz GKEQOSLNMXBCQQ-OAHLLOKOSA-N 2 1 382.537 3.592 20 0 GHADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC(CCC[NH+](C)C)CC3)c2c1 ZINC000826263509 608305644 /nfs/dbraw/zinc/30/56/44/608305644.db2.gz FHAPBTJLVWGGKE-UHFFFAOYSA-N 2 1 393.539 3.590 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548011 609138191 /nfs/dbraw/zinc/13/81/91/609138191.db2.gz ULHQRABEQJBSJP-HNNXBMFYSA-N 2 1 386.519 3.701 20 0 GHADMP C[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H](C)C[N@@H+]1C ZINC001164637220 719237252 /nfs/dbraw/zinc/23/72/52/719237252.db2.gz UTLAUXSWXLMBOM-CVEARBPZSA-N 2 1 399.608 3.695 20 0 GHADMP C[C@@H]1CN(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)[C@@H](C)C[N@H+]1C ZINC001164637220 719237254 /nfs/dbraw/zinc/23/72/54/719237254.db2.gz UTLAUXSWXLMBOM-CVEARBPZSA-N 2 1 399.608 3.695 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431778019 837467541 /nfs/dbraw/zinc/46/75/41/837467541.db2.gz FYNLUFIGBYWPSF-WIYYLYMNSA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431778019 837467544 /nfs/dbraw/zinc/46/75/44/837467544.db2.gz FYNLUFIGBYWPSF-WIYYLYMNSA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431778019 837467549 /nfs/dbraw/zinc/46/75/49/837467549.db2.gz FYNLUFIGBYWPSF-WIYYLYMNSA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431778016 837467668 /nfs/dbraw/zinc/46/76/68/837467668.db2.gz FYNLUFIGBYWPSF-GHTZIAJQSA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431778016 837467672 /nfs/dbraw/zinc/46/76/72/837467672.db2.gz FYNLUFIGBYWPSF-GHTZIAJQSA-N 2 1 389.609 3.873 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431778016 837467679 /nfs/dbraw/zinc/46/76/79/837467679.db2.gz FYNLUFIGBYWPSF-GHTZIAJQSA-N 2 1 389.609 3.873 20 0 GHADMP [NH3+][C@@H](CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000237923537 837488776 /nfs/dbraw/zinc/48/87/76/837488776.db2.gz UHKGWYSOZRBWIB-NRFANRHFSA-N 2 1 385.939 3.855 20 0 GHADMP [NH3+][C@@H](CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000237923537 837488785 /nfs/dbraw/zinc/48/87/85/837488785.db2.gz UHKGWYSOZRBWIB-NRFANRHFSA-N 2 1 385.939 3.855 20 0 GHADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cc2n(n1)CCC2 ZINC000414106987 837575427 /nfs/dbraw/zinc/57/54/27/837575427.db2.gz RLGMXCJJIVCLAM-ZCNNSNEGSA-N 2 1 396.579 3.689 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2)CC1 ZINC000655717241 837727670 /nfs/dbraw/zinc/72/76/70/837727670.db2.gz YTDBACUJNVDADT-DEOSSOPVSA-N 3 1 385.596 3.652 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)c2)CC1 ZINC000655717241 837727680 /nfs/dbraw/zinc/72/76/80/837727680.db2.gz YTDBACUJNVDADT-DEOSSOPVSA-N 2 1 385.596 3.652 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000150995269 834412289 /nfs/dbraw/zinc/41/22/89/834412289.db2.gz RJAGJAHZYZWBRU-INIZCTEOSA-N 2 1 381.511 3.586 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000654729318 834440977 /nfs/dbraw/zinc/44/09/77/834440977.db2.gz RPMZRZGXFJIMDX-LGKPFJOYSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000654729318 834440982 /nfs/dbraw/zinc/44/09/82/834440982.db2.gz RPMZRZGXFJIMDX-LGKPFJOYSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC000654729318 834440987 /nfs/dbraw/zinc/44/09/87/834440987.db2.gz RPMZRZGXFJIMDX-LGKPFJOYSA-N 2 1 398.595 3.698 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)C1 ZINC000650705742 834525875 /nfs/dbraw/zinc/52/58/75/834525875.db2.gz UIKLLASFOXLQNJ-AKFKNWHVSA-N 2 1 380.532 3.984 20 0 GHADMP COc1cccc2c1CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000579757504 834542721 /nfs/dbraw/zinc/54/27/21/834542721.db2.gz ZQUQCFNPKPFEQZ-UHFFFAOYSA-N 2 1 379.548 3.784 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1cccc(Br)c1 ZINC000650707589 834544911 /nfs/dbraw/zinc/54/49/11/834544911.db2.gz JBXONQXCXFTTKV-HYEGPXJVSA-N 2 1 381.358 3.771 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)c(OC)c1 ZINC000584411398 834546847 /nfs/dbraw/zinc/54/68/47/834546847.db2.gz GTCKZGOZCIPFMV-CVEARBPZSA-N 2 1 387.549 3.649 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000090585228 834617612 /nfs/dbraw/zinc/61/76/12/834617612.db2.gz UNGVYSHLFLPGNM-NRFANRHFSA-N 2 1 375.576 3.790 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000090585228 834617614 /nfs/dbraw/zinc/61/76/14/834617614.db2.gz UNGVYSHLFLPGNM-NRFANRHFSA-N 2 1 375.576 3.790 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000090585228 834617618 /nfs/dbraw/zinc/61/76/18/834617618.db2.gz UNGVYSHLFLPGNM-NRFANRHFSA-N 2 1 375.576 3.790 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000584440031 834619319 /nfs/dbraw/zinc/61/93/19/834619319.db2.gz YKBXJIZWNLCTBQ-QFIPXVFZSA-N 2 1 378.564 3.942 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)sc1Br ZINC000375756001 834631616 /nfs/dbraw/zinc/63/16/16/834631616.db2.gz HLVGGBOUUAWZFU-ZIAGYGMSSA-N 2 1 387.387 3.971 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000654864479 834686698 /nfs/dbraw/zinc/68/66/98/834686698.db2.gz AOROITMCSYHJMM-XMSQKQJNSA-N 2 1 388.515 3.880 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000654864479 834686704 /nfs/dbraw/zinc/68/67/04/834686704.db2.gz AOROITMCSYHJMM-XMSQKQJNSA-N 2 1 388.515 3.880 20 0 GHADMP CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000093814530 834704928 /nfs/dbraw/zinc/70/49/28/834704928.db2.gz XEJUZVMXWXRBPG-QFIPXVFZSA-N 2 1 379.552 3.689 20 0 GHADMP CC(C)c1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000093814530 834704935 /nfs/dbraw/zinc/70/49/35/834704935.db2.gz XEJUZVMXWXRBPG-QFIPXVFZSA-N 2 1 379.552 3.689 20 0 GHADMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc2ccncc2s1 ZINC000657868308 834715937 /nfs/dbraw/zinc/71/59/37/834715937.db2.gz NWGSXMWNNMONHC-XLIONFOSSA-N 2 1 380.561 3.936 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000472293740 834716613 /nfs/dbraw/zinc/71/66/13/834716613.db2.gz NLHQRCYNAVWMEC-XZOQPEGZSA-N 2 1 395.547 3.799 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000472293740 834716618 /nfs/dbraw/zinc/71/66/18/834716618.db2.gz NLHQRCYNAVWMEC-XZOQPEGZSA-N 2 1 395.547 3.799 20 0 GHADMP CCC(CC)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OC)c(OC)c1 ZINC000655755233 837827423 /nfs/dbraw/zinc/82/74/23/837827423.db2.gz UKGOHTKUMPBRHX-FQEVSTJZSA-N 2 1 390.568 3.605 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000685457853 835021969 /nfs/dbraw/zinc/02/19/69/835021969.db2.gz QATPGKFLSMOAOY-HXUWFJFHSA-N 2 1 385.527 3.994 20 0 GHADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000685458006 835023935 /nfs/dbraw/zinc/02/39/35/835023935.db2.gz XESDJOICKDRGIR-OXQOHEQNSA-N 2 1 394.401 3.653 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3C(C)(F)F)CC2)CC1 ZINC000655126946 835198753 /nfs/dbraw/zinc/19/87/53/835198753.db2.gz GTTRPIKOSVZVGK-UHFFFAOYSA-N 2 1 379.495 3.933 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)C1 ZINC001208606020 835210584 /nfs/dbraw/zinc/21/05/84/835210584.db2.gz DDEXMBQMOLXEML-GGPKGHCWSA-N 2 1 385.552 3.799 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)C1 ZINC001208606020 835210587 /nfs/dbraw/zinc/21/05/87/835210587.db2.gz DDEXMBQMOLXEML-GGPKGHCWSA-N 2 1 385.552 3.799 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)C1 ZINC001208606020 835210594 /nfs/dbraw/zinc/21/05/94/835210594.db2.gz DDEXMBQMOLXEML-GGPKGHCWSA-N 2 1 385.552 3.799 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000536171530 835303157 /nfs/dbraw/zinc/30/31/57/835303157.db2.gz NHTPDXUAKGVQCH-IBGZPJMESA-N 2 1 383.580 3.834 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c2)cc1 ZINC000093644059 835346502 /nfs/dbraw/zinc/34/65/02/835346502.db2.gz KLCKMPPORZMENC-UTKZUKDTSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c2)cc1 ZINC000093644059 835346512 /nfs/dbraw/zinc/34/65/12/835346512.db2.gz KLCKMPPORZMENC-UTKZUKDTSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2)cc1 ZINC000093644059 835346521 /nfs/dbraw/zinc/34/65/21/835346521.db2.gz KLCKMPPORZMENC-UTKZUKDTSA-N 2 1 381.520 3.862 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)cc1 ZINC000093644059 835346531 /nfs/dbraw/zinc/34/65/31/835346531.db2.gz KLCKMPPORZMENC-UTKZUKDTSA-N 2 1 381.520 3.862 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000510117665 835382048 /nfs/dbraw/zinc/38/20/48/835382048.db2.gz JDMCEDLVNMLAFF-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000510117665 835382058 /nfs/dbraw/zinc/38/20/58/835382058.db2.gz JDMCEDLVNMLAFF-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000510117665 835382062 /nfs/dbraw/zinc/38/20/62/835382062.db2.gz JDMCEDLVNMLAFF-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000510117665 835382069 /nfs/dbraw/zinc/38/20/69/835382069.db2.gz JDMCEDLVNMLAFF-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000658083481 835405229 /nfs/dbraw/zinc/40/52/29/835405229.db2.gz WNMVGEMISSFLIC-GBESFXJTSA-N 2 1 390.453 3.886 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000658083481 835405234 /nfs/dbraw/zinc/40/52/34/835405234.db2.gz WNMVGEMISSFLIC-GBESFXJTSA-N 2 1 390.453 3.886 20 0 GHADMP C[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000433364350 844053486 /nfs/dbraw/zinc/05/34/86/844053486.db2.gz JMBRFQHQSBWYRL-REWPJTCUSA-N 2 1 379.548 3.802 20 0 GHADMP CN1c2ccccc2C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000658108613 835439090 /nfs/dbraw/zinc/43/90/90/835439090.db2.gz SZWPDPPSPZGANF-HRTMPFAESA-N 2 1 377.532 3.607 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cc2)C1 ZINC000658135332 835444784 /nfs/dbraw/zinc/44/47/84/835444784.db2.gz DFDYQHCAQRNSKO-BJKOFHAPSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cc2)C1 ZINC000658135332 835444789 /nfs/dbraw/zinc/44/47/89/835444789.db2.gz DFDYQHCAQRNSKO-BJKOFHAPSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cc2)C1 ZINC000658135336 835445067 /nfs/dbraw/zinc/44/50/67/835445067.db2.gz DFDYQHCAQRNSKO-DNQXCXABSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3cccnc3)cc2)C1 ZINC000658135336 835445071 /nfs/dbraw/zinc/44/50/71/835445071.db2.gz DFDYQHCAQRNSKO-DNQXCXABSA-N 2 1 391.490 3.667 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OCC ZINC000658141608 835452116 /nfs/dbraw/zinc/45/21/16/835452116.db2.gz SNGVLDAPOREABS-AVRDEDQJSA-N 2 1 398.547 3.901 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000584072813 835540586 /nfs/dbraw/zinc/54/05/86/835540586.db2.gz FVFFZVUMBVBQIT-DBVUQKKJSA-N 2 1 387.499 3.629 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccco1 ZINC000584072813 835540587 /nfs/dbraw/zinc/54/05/87/835540587.db2.gz FVFFZVUMBVBQIT-DBVUQKKJSA-N 2 1 387.499 3.629 20 0 GHADMP CCC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000179400660 835551867 /nfs/dbraw/zinc/55/18/67/835551867.db2.gz DTGYXWIHYIKOOO-UHFFFAOYSA-N 2 1 382.430 3.740 20 0 GHADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000179400660 835551870 /nfs/dbraw/zinc/55/18/70/835551870.db2.gz DTGYXWIHYIKOOO-UHFFFAOYSA-N 2 1 382.430 3.740 20 0 GHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082114 835564828 /nfs/dbraw/zinc/56/48/28/835564828.db2.gz AIXWJTNKOYCAHJ-UXHICEINSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082114 835564832 /nfs/dbraw/zinc/56/48/32/835564832.db2.gz AIXWJTNKOYCAHJ-UXHICEINSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082114 835564835 /nfs/dbraw/zinc/56/48/35/835564835.db2.gz AIXWJTNKOYCAHJ-UXHICEINSA-N 2 1 381.495 3.608 20 0 GHADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000658319984 835572916 /nfs/dbraw/zinc/57/29/16/835572916.db2.gz KVHHMQKWJKIOMG-PZJWPPBQSA-N 2 1 379.548 3.913 20 0 GHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C)cc(C[NH+](C)C)c3)cc2F)CC1 ZINC000536214968 835587986 /nfs/dbraw/zinc/58/79/86/835587986.db2.gz OEFIMSKGQASURN-UHFFFAOYSA-N 2 1 398.526 3.590 20 0 GHADMP c1c[nH]c([C@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000080961348 835924298 /nfs/dbraw/zinc/92/42/98/835924298.db2.gz IRZHKHNHSCINPD-PMACEKPBSA-N 2 1 384.572 3.752 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000657849113 835933378 /nfs/dbraw/zinc/93/33/78/835933378.db2.gz FNKXAKNGGMBPOA-CYBMUJFWSA-N 2 1 378.866 3.990 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C[C@H](C)O1 ZINC000092587302 844121265 /nfs/dbraw/zinc/12/12/65/844121265.db2.gz JTNYSJXOOQRDAV-CALCHBBNSA-N 2 1 386.515 3.537 20 0 GHADMP CC(C)C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000180103743 836074276 /nfs/dbraw/zinc/07/42/76/836074276.db2.gz ULKIRFQAIRODSU-UCBGAZFYSA-N 2 1 385.596 3.519 20 0 GHADMP Cn1cc([C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c2cccc(F)c2)cn1 ZINC000180425190 836168660 /nfs/dbraw/zinc/16/86/60/836168660.db2.gz ACDMMHVIQQLIMZ-HSZRJFAPSA-N 2 1 396.510 3.769 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000177271338 836224295 /nfs/dbraw/zinc/22/42/95/836224295.db2.gz AVZJSROGGCFCLU-QGZVFWFLSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000177271338 836224305 /nfs/dbraw/zinc/22/43/05/836224305.db2.gz AVZJSROGGCFCLU-QGZVFWFLSA-N 2 1 393.597 3.949 20 0 GHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)C[C@H](C)O1 ZINC000047453991 836224877 /nfs/dbraw/zinc/22/48/77/836224877.db2.gz IKVIBQAWCGMLAG-ROUUACIJSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000613378051 836233829 /nfs/dbraw/zinc/23/38/29/836233829.db2.gz ROEPCVXNHMFOIU-WMZOPIPTSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000613378051 836233840 /nfs/dbraw/zinc/23/38/40/836233840.db2.gz ROEPCVXNHMFOIU-WMZOPIPTSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613378051 836233844 /nfs/dbraw/zinc/23/38/44/836233844.db2.gz ROEPCVXNHMFOIU-WMZOPIPTSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613378051 836233857 /nfs/dbraw/zinc/23/38/57/836233857.db2.gz ROEPCVXNHMFOIU-WMZOPIPTSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)CCc3ccccc3)cc2)C1 ZINC000613450080 836409185 /nfs/dbraw/zinc/40/91/85/836409185.db2.gz VSHCETFFOHYTRM-NRFANRHFSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)CCc3ccccc3)cc2)C1 ZINC000613450080 836409188 /nfs/dbraw/zinc/40/91/88/836409188.db2.gz VSHCETFFOHYTRM-NRFANRHFSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)CCc3ccccc3)cc2)C1 ZINC000613450080 836409194 /nfs/dbraw/zinc/40/91/94/836409194.db2.gz VSHCETFFOHYTRM-NRFANRHFSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC[N@H+]1C ZINC000155251783 836665831 /nfs/dbraw/zinc/66/58/31/836665831.db2.gz NFMKSDWJKWEOCC-QAPCUYQASA-N 2 1 381.358 3.570 20 0 GHADMP CC[NH+]1CCC([N@H+](C)CCOc2ccc(Cl)cc2Br)CC1 ZINC000531141180 836798564 /nfs/dbraw/zinc/79/85/64/836798564.db2.gz RQUNVWNINFAMBW-UHFFFAOYSA-N 2 1 375.738 3.897 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc(Cl)cc2Br)CC1 ZINC000531141180 836798570 /nfs/dbraw/zinc/79/85/70/836798570.db2.gz RQUNVWNINFAMBW-UHFFFAOYSA-N 2 1 375.738 3.897 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000431691260 836844746 /nfs/dbraw/zinc/84/47/46/836844746.db2.gz MAZIZMDTJWFAMO-KXTWHKPSSA-N 2 1 392.632 3.649 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000047968620 844211621 /nfs/dbraw/zinc/21/16/21/844211621.db2.gz AGRSPGFHBYDSPB-UHFFFAOYSA-N 2 1 395.547 3.616 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175628698 836909334 /nfs/dbraw/zinc/90/93/34/836909334.db2.gz QSASQJBJXAPBBZ-MZYLBHOOSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1nc(C(F)(F)F)cs1 ZINC000414314469 837057550 /nfs/dbraw/zinc/05/75/50/837057550.db2.gz ZVPVVVMBXUBPPZ-AWEZNQCLSA-N 2 1 399.482 3.840 20 0 GHADMP C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000376164818 837104548 /nfs/dbraw/zinc/10/45/48/837104548.db2.gz GRLBSYJOPNRKJD-HXUWFJFHSA-N 2 1 386.584 3.684 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000430431738 837325121 /nfs/dbraw/zinc/32/51/21/837325121.db2.gz XYBKCMRDJOKFGQ-HSZRJFAPSA-N 2 1 379.548 3.632 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001125832599 837855333 /nfs/dbraw/zinc/85/53/33/837855333.db2.gz KDXAPWXCYKAXJM-PMACEKPBSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001125832599 837855350 /nfs/dbraw/zinc/85/53/50/837855350.db2.gz KDXAPWXCYKAXJM-PMACEKPBSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125832599 837855361 /nfs/dbraw/zinc/85/53/61/837855361.db2.gz KDXAPWXCYKAXJM-PMACEKPBSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125832599 837855374 /nfs/dbraw/zinc/85/53/74/837855374.db2.gz KDXAPWXCYKAXJM-PMACEKPBSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001125832601 837856183 /nfs/dbraw/zinc/85/61/83/837856183.db2.gz KDXAPWXCYKAXJM-VQTJNVASSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001125832601 837856190 /nfs/dbraw/zinc/85/61/90/837856190.db2.gz KDXAPWXCYKAXJM-VQTJNVASSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125832601 837856196 /nfs/dbraw/zinc/85/61/96/837856196.db2.gz KDXAPWXCYKAXJM-VQTJNVASSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125832601 837856202 /nfs/dbraw/zinc/85/62/02/837856202.db2.gz KDXAPWXCYKAXJM-VQTJNVASSA-N 2 1 377.960 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000051180559 837932516 /nfs/dbraw/zinc/93/25/16/837932516.db2.gz JBLUNNPPCGUHED-DEOSSOPVSA-N 2 1 391.559 3.913 20 0 GHADMP Cc1ccccc1C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051212319 837939101 /nfs/dbraw/zinc/93/91/01/837939101.db2.gz BIEXPZARRUKLPG-UHFFFAOYSA-N 2 1 379.548 3.516 20 0 GHADMP Cc1ccccc1C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051212319 837939105 /nfs/dbraw/zinc/93/91/05/837939105.db2.gz BIEXPZARRUKLPG-UHFFFAOYSA-N 2 1 379.548 3.516 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000051650362 837978872 /nfs/dbraw/zinc/97/88/72/837978872.db2.gz QMHSHMHWFVAXCY-XMMPIXPASA-N 2 1 391.559 3.695 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000659245988 838001114 /nfs/dbraw/zinc/00/11/14/838001114.db2.gz FFPPQCKBWPYFBF-VOQZNFBZSA-N 2 1 377.532 3.631 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc(C)c1F ZINC001143379618 838046721 /nfs/dbraw/zinc/04/67/21/838046721.db2.gz TWGDPCCBTDWLJE-FGZHOGPDSA-N 2 1 383.511 3.560 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C)c1F ZINC001143379618 838046733 /nfs/dbraw/zinc/04/67/33/838046733.db2.gz TWGDPCCBTDWLJE-FGZHOGPDSA-N 2 1 383.511 3.560 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C)c1F ZINC001143379618 838046744 /nfs/dbraw/zinc/04/67/44/838046744.db2.gz TWGDPCCBTDWLJE-FGZHOGPDSA-N 2 1 383.511 3.560 20 0 GHADMP C[C@H](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000471450535 838165787 /nfs/dbraw/zinc/16/57/87/838165787.db2.gz PJYPMYHANJXUCU-OAQYLSRUSA-N 2 1 393.575 3.925 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000415880029 838227583 /nfs/dbraw/zinc/22/75/83/838227583.db2.gz DPCKJSOHPUIWHL-UHFFFAOYSA-N 2 1 398.938 3.726 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000415880029 838227594 /nfs/dbraw/zinc/22/75/94/838227594.db2.gz DPCKJSOHPUIWHL-UHFFFAOYSA-N 2 1 398.938 3.726 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000549804281 844312570 /nfs/dbraw/zinc/31/25/70/844312570.db2.gz PYBRALXMBKOZSK-LPHOPBHVSA-N 2 1 380.964 3.506 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000415905935 838259689 /nfs/dbraw/zinc/25/96/89/838259689.db2.gz JFJQUESZQRNREX-AVRDEDQJSA-N 2 1 380.536 3.971 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000549804281 844312578 /nfs/dbraw/zinc/31/25/78/844312578.db2.gz PYBRALXMBKOZSK-LPHOPBHVSA-N 2 1 380.964 3.506 20 0 GHADMP CCC[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415947400 838299916 /nfs/dbraw/zinc/29/99/16/838299916.db2.gz RICNGPJWHRDKMQ-OAQYLSRUSA-N 2 1 396.535 3.543 20 0 GHADMP C[C@@H]1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415955386 838316529 /nfs/dbraw/zinc/31/65/29/838316529.db2.gz MFDZXBVLIITULL-QGZVFWFLSA-N 2 1 396.510 3.600 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000893198430 838814036 /nfs/dbraw/zinc/81/40/36/838814036.db2.gz ICYJXLANXZZZLC-NLWGTHIKSA-N 2 1 392.613 3.504 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1)C1CCOCC1 ZINC000163948722 838825337 /nfs/dbraw/zinc/82/53/37/838825337.db2.gz JKJXIVFFNYHKTL-XMMPIXPASA-N 2 1 380.532 3.953 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C2CC2)o1 ZINC000613644908 839058106 /nfs/dbraw/zinc/05/81/06/839058106.db2.gz YZCABSSFMTVSIW-UHFFFAOYSA-N 2 1 387.568 3.667 20 0 GHADMP Brc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000394574599 839226452 /nfs/dbraw/zinc/22/64/52/839226452.db2.gz QDLNPGQOQVAWPH-GJZGRUSLSA-N 2 1 388.147 3.928 20 0 GHADMP Brc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000394574599 839226465 /nfs/dbraw/zinc/22/64/65/839226465.db2.gz QDLNPGQOQVAWPH-GJZGRUSLSA-N 2 1 388.147 3.928 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)c(Br)c3)CC2)C1 ZINC000415130738 839258789 /nfs/dbraw/zinc/25/87/89/839258789.db2.gz XMKCLRXDGFQUGA-WMLDXEAASA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000415136789 839263039 /nfs/dbraw/zinc/26/30/39/839263039.db2.gz SDBBXOLPYMTMCM-XUZZJYLKSA-N 2 1 398.639 3.613 20 0 GHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000415136788 839263316 /nfs/dbraw/zinc/26/33/16/839263316.db2.gz SDBBXOLPYMTMCM-URXFXBBRSA-N 2 1 398.639 3.613 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCCCN2C(=O)OC(C)(C)C)CC1 ZINC000160480673 839408124 /nfs/dbraw/zinc/40/81/24/839408124.db2.gz FDPBQCQXSJRQGN-QUCCMNQESA-N 2 1 397.604 3.645 20 0 GHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000656255031 839843782 /nfs/dbraw/zinc/84/37/82/839843782.db2.gz KQYCZFNUICBAPB-JRGCBEDISA-N 2 1 388.943 3.518 20 0 GHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000656255031 839843795 /nfs/dbraw/zinc/84/37/95/839843795.db2.gz KQYCZFNUICBAPB-JRGCBEDISA-N 2 1 388.943 3.518 20 0 GHADMP CSC1(CNc2cc[nH+]c3ccc(Br)cc23)CC[NH+](C)CC1 ZINC000580746868 840121652 /nfs/dbraw/zinc/12/16/52/840121652.db2.gz HEIYRHCUHURLIX-UHFFFAOYSA-N 2 1 380.355 3.659 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)CC1 ZINC000580783342 840178660 /nfs/dbraw/zinc/17/86/60/840178660.db2.gz KZNVITQVWOLIAL-UHFFFAOYSA-N 2 1 379.495 3.933 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000416969909 840325479 /nfs/dbraw/zinc/32/54/79/840325479.db2.gz LZOMIHBGESJDTH-FQEVSTJZSA-N 2 1 394.563 3.589 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](NC[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693460 840338411 /nfs/dbraw/zinc/33/84/11/840338411.db2.gz QRCHMLGHVBUQGE-LOSJGSFVSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](NC[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693460 840338420 /nfs/dbraw/zinc/33/84/20/840338420.db2.gz QRCHMLGHVBUQGE-LOSJGSFVSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693460 840338427 /nfs/dbraw/zinc/33/84/27/840338427.db2.gz QRCHMLGHVBUQGE-LOSJGSFVSA-N 2 1 393.575 3.532 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)cc1 ZINC000390693460 840338435 /nfs/dbraw/zinc/33/84/35/840338435.db2.gz QRCHMLGHVBUQGE-LOSJGSFVSA-N 2 1 393.575 3.532 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000195185448 840422674 /nfs/dbraw/zinc/42/26/74/840422674.db2.gz JDCUAJXNBHWWJC-QHCPKHFHSA-N 2 1 387.568 3.888 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc(C4CC4)no3)CC2)c1C ZINC000660159483 840507114 /nfs/dbraw/zinc/50/71/14/840507114.db2.gz BEPFGWGQRZWRFE-UHFFFAOYSA-N 2 1 384.524 3.669 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc(C4CC4)no3)CC2)c1C ZINC000660159483 840507121 /nfs/dbraw/zinc/50/71/21/840507121.db2.gz BEPFGWGQRZWRFE-UHFFFAOYSA-N 2 1 384.524 3.669 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCCC1=CC[NH2+]CC1)C1CCCCC1 ZINC000417226673 840605611 /nfs/dbraw/zinc/60/56/11/840605611.db2.gz UIVQUNOOGZBBMF-UHFFFAOYSA-N 2 1 384.568 3.560 20 0 GHADMP Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001167443548 840620604 /nfs/dbraw/zinc/62/06/04/840620604.db2.gz XETCCTHPNGJGPN-QGZVFWFLSA-N 2 1 385.321 3.917 20 0 GHADMP Fc1cc(Br)cc(OCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001167443548 840620609 /nfs/dbraw/zinc/62/06/09/840620609.db2.gz XETCCTHPNGJGPN-QGZVFWFLSA-N 2 1 385.321 3.917 20 0 GHADMP CN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807608 840815568 /nfs/dbraw/zinc/81/55/68/840815568.db2.gz NOFZZLUKCXGUSP-QFIPXVFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807608 840815579 /nfs/dbraw/zinc/81/55/79/840815579.db2.gz NOFZZLUKCXGUSP-QFIPXVFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807608 840815590 /nfs/dbraw/zinc/81/55/90/840815590.db2.gz NOFZZLUKCXGUSP-QFIPXVFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807608 840815599 /nfs/dbraw/zinc/81/55/99/840815599.db2.gz NOFZZLUKCXGUSP-QFIPXVFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)Cc1ccccc1 ZINC000511807608 840815611 /nfs/dbraw/zinc/81/56/11/840815611.db2.gz NOFZZLUKCXGUSP-QFIPXVFZSA-N 2 1 379.548 3.535 20 0 GHADMP C[N@@H+](C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512565322 844582267 /nfs/dbraw/zinc/58/22/67/844582267.db2.gz PKFKVNSVDXUNPG-JGUMPVPUSA-N 2 1 396.531 3.776 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512565322 844582275 /nfs/dbraw/zinc/58/22/75/844582275.db2.gz PKFKVNSVDXUNPG-JGUMPVPUSA-N 2 1 396.531 3.776 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccc(Oc2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512565322 844582282 /nfs/dbraw/zinc/58/22/82/844582282.db2.gz PKFKVNSVDXUNPG-JGUMPVPUSA-N 2 1 396.531 3.776 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000652125084 840888829 /nfs/dbraw/zinc/88/88/29/840888829.db2.gz BMSJTTSOBHWPHS-LJQANCHMSA-N 2 1 394.563 3.780 20 0 GHADMP CCOc1ccc(NC(=O)CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660675085 841088715 /nfs/dbraw/zinc/08/87/15/841088715.db2.gz FZRXNUWYIHZATO-UHFFFAOYSA-N 2 1 381.520 3.668 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000548159767 841102722 /nfs/dbraw/zinc/10/27/22/841102722.db2.gz WHBQMWDCVHHAAX-ICSRJNTNSA-N 2 1 378.520 3.632 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000548159767 841102726 /nfs/dbraw/zinc/10/27/26/841102726.db2.gz WHBQMWDCVHHAAX-ICSRJNTNSA-N 2 1 378.520 3.632 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417743085 841180279 /nfs/dbraw/zinc/18/02/79/841180279.db2.gz WOVHPVOLWVXHNL-QFIPXVFZSA-N 2 1 398.551 3.618 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417743085 841180286 /nfs/dbraw/zinc/18/02/86/841180286.db2.gz WOVHPVOLWVXHNL-QFIPXVFZSA-N 2 1 398.551 3.618 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417834563 841217012 /nfs/dbraw/zinc/21/70/12/841217012.db2.gz KGKKLKVHYCXEOE-UGKGYDQZSA-N 2 1 386.584 3.590 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000319153649 841272522 /nfs/dbraw/zinc/27/25/22/841272522.db2.gz JRUUFFKKJNHNIG-GFCCVEGCSA-N 2 1 381.236 3.779 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccccc2C(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000417948142 841308305 /nfs/dbraw/zinc/30/83/05/841308305.db2.gz HLCURXYDELTHKI-PZJWPPBQSA-N 2 1 379.548 3.779 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418016491 841386626 /nfs/dbraw/zinc/38/66/26/841386626.db2.gz ZXBLCXWKYOHHON-ZMYBRWDISA-N 2 1 398.954 3.820 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418016491 841386639 /nfs/dbraw/zinc/38/66/39/841386639.db2.gz ZXBLCXWKYOHHON-ZMYBRWDISA-N 2 1 398.954 3.820 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691740 861201759 /nfs/dbraw/zinc/20/17/59/861201759.db2.gz ZYPYDDKRPVSCKG-GMBSWORKSA-N 2 1 381.358 3.725 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[C@@H]([NH3+])c1ccccc1 ZINC000662715301 841456252 /nfs/dbraw/zinc/45/62/52/841456252.db2.gz MVNAOQPZDUGJSB-WWPVKYPJSA-N 2 1 391.559 3.741 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000500152860 841526052 /nfs/dbraw/zinc/52/60/52/841526052.db2.gz CPQHSUXQUCOHIZ-VWPQPMDRSA-N 2 1 388.600 3.653 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000177695022 861210341 /nfs/dbraw/zinc/21/03/41/861210341.db2.gz QAAVBFOBIJYMQG-GOSISDBHSA-N 2 1 384.499 3.591 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000177695022 861210355 /nfs/dbraw/zinc/21/03/55/861210355.db2.gz QAAVBFOBIJYMQG-GOSISDBHSA-N 2 1 384.499 3.591 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581488624 841535836 /nfs/dbraw/zinc/53/58/36/841535836.db2.gz QSFCKIPEGJTUBD-QHCPKHFHSA-N 3 1 393.575 3.914 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581488624 841535845 /nfs/dbraw/zinc/53/58/45/841535845.db2.gz QSFCKIPEGJTUBD-QHCPKHFHSA-N 3 1 393.575 3.914 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000177723569 861214579 /nfs/dbraw/zinc/21/45/79/861214579.db2.gz BPKPRDHVNGKROO-FQEVSTJZSA-N 2 1 379.976 3.566 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000510447799 841989530 /nfs/dbraw/zinc/98/95/30/841989530.db2.gz ZAKDANQGGLMDAW-RBUKOAKNSA-N 2 1 390.572 3.649 20 0 GHADMP CCOC[C@@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2cn(CC3CC3)nc21 ZINC001167823390 842001928 /nfs/dbraw/zinc/00/19/28/842001928.db2.gz KYVGRROIIFEEHW-RXVVDRJESA-N 2 1 376.589 3.739 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000652153539 842014550 /nfs/dbraw/zinc/01/45/50/842014550.db2.gz LUSUPEKOUYNZHB-DNQXCXABSA-N 2 1 379.548 3.930 20 0 GHADMP O[C@@]1(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652153539 842014560 /nfs/dbraw/zinc/01/45/60/842014560.db2.gz LUSUPEKOUYNZHB-DNQXCXABSA-N 2 1 379.548 3.930 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000623637849 861263037 /nfs/dbraw/zinc/26/30/37/861263037.db2.gz MWBUOUVWVIDOLP-UYAOXDASSA-N 2 1 396.522 3.586 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(OCCO)CCC(F)(F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000623637849 861263042 /nfs/dbraw/zinc/26/30/42/861263042.db2.gz MWBUOUVWVIDOLP-UYAOXDASSA-N 2 1 396.522 3.586 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001167824981 842035252 /nfs/dbraw/zinc/03/52/52/842035252.db2.gz JFSJDQYKQINDCW-PGRDOPGGSA-N 2 1 375.532 3.765 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001167827655 842091003 /nfs/dbraw/zinc/09/10/03/842091003.db2.gz UNAPEGBSZMYEEM-UYAOXDASSA-N 2 1 395.542 3.525 20 0 GHADMP Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000647175431 842096518 /nfs/dbraw/zinc/09/65/18/842096518.db2.gz OIWPPLBMVNUFEM-HXUWFJFHSA-N 2 1 390.531 3.691 20 0 GHADMP Cc1ccccc1-n1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000647175431 842096531 /nfs/dbraw/zinc/09/65/31/842096531.db2.gz OIWPPLBMVNUFEM-HXUWFJFHSA-N 2 1 390.531 3.691 20 0 GHADMP CCOC[C@@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)Cc2cnn(CC3CC3)c21 ZINC001167828438 842117713 /nfs/dbraw/zinc/11/77/13/842117713.db2.gz YLOIDZZWSZJTAY-NQIIRXRSSA-N 2 1 376.589 3.739 20 0 GHADMP Cc1nc(COc2ccc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)cc2)cs1 ZINC000432349049 842131510 /nfs/dbraw/zinc/13/15/10/842131510.db2.gz ULEVLMUVMGUSNP-QGZVFWFLSA-N 2 1 389.565 3.621 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCC[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000510462437 842154720 /nfs/dbraw/zinc/15/47/20/842154720.db2.gz PPUKWZVFIXAZMA-OAQYLSRUSA-N 2 1 398.551 3.546 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348841 842328050 /nfs/dbraw/zinc/32/80/50/842328050.db2.gz SWNKAYUQRUHDFU-LDDOYCOJSA-N 2 1 378.467 3.711 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2csc(Cl)c2Cl)c1 ZINC000432241376 842346697 /nfs/dbraw/zinc/34/66/97/842346697.db2.gz PAJKTQFWHLBYSO-UHFFFAOYSA-N 2 1 386.348 3.636 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCCO1 ZINC000432408952 842403491 /nfs/dbraw/zinc/40/34/91/842403491.db2.gz DOXUGWJSLFSJFJ-MAUKXSAKSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CCCO1 ZINC000432408952 842403494 /nfs/dbraw/zinc/40/34/94/842403494.db2.gz DOXUGWJSLFSJFJ-MAUKXSAKSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC000399026281 842417330 /nfs/dbraw/zinc/41/73/30/842417330.db2.gz JKRWSYSUDUFXCF-HLAWJBBLSA-N 2 1 387.568 3.886 20 0 GHADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1)C[C@@H]1CCCC[C@@H]1O ZINC000481412826 861310985 /nfs/dbraw/zinc/31/09/85/861310985.db2.gz UABYQQNLDRNSIV-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1cccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1)C[C@@H]1CCCC[C@H]1O ZINC000481412826 861311005 /nfs/dbraw/zinc/31/10/05/861311005.db2.gz UABYQQNLDRNSIV-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1)C[C@@H]1CCCC[C@H]1O ZINC000481412826 861311026 /nfs/dbraw/zinc/31/10/26/861311026.db2.gz UABYQQNLDRNSIV-NEWJYFPISA-N 2 1 388.596 3.652 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](CC)CC)cc1 ZINC000432435158 842490347 /nfs/dbraw/zinc/49/03/47/842490347.db2.gz POSDNTDPNJXALX-VSKRKVRLSA-N 2 1 386.584 3.558 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1=CC[N@@H+](C)CC1 ZINC000510484980 842497263 /nfs/dbraw/zinc/49/72/63/842497263.db2.gz ZLFTVPDCBAUYOP-AQNXPRMDSA-N 2 1 398.595 3.614 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512169522 842720261 /nfs/dbraw/zinc/72/02/61/842720261.db2.gz OVJQFQJHFNUTGR-PZJWPPBQSA-N 2 1 388.552 3.571 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512169522 842720270 /nfs/dbraw/zinc/72/02/70/842720270.db2.gz OVJQFQJHFNUTGR-PZJWPPBQSA-N 2 1 388.552 3.571 20 0 GHADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510499997 842788435 /nfs/dbraw/zinc/78/84/35/842788435.db2.gz JNMYYYQAOYGBQF-RBUKOAKNSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](CCC1CC1)CC1CC1 ZINC000662178354 842807470 /nfs/dbraw/zinc/80/74/70/842807470.db2.gz BAMKZNCXCCKPRR-LJQANCHMSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000652611041 842846043 /nfs/dbraw/zinc/84/60/43/842846043.db2.gz VLBJVQQHTNZQBU-GUDVDZBRSA-N 2 1 396.535 3.539 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248370 843014136 /nfs/dbraw/zinc/01/41/36/843014136.db2.gz AAVIHPGYOGFYCJ-LJQANCHMSA-N 2 1 394.544 3.554 20 0 GHADMP CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc2c1CC[NH2+]C2 ZINC000662249951 843015021 /nfs/dbraw/zinc/01/50/21/843015021.db2.gz WFXHWRKOILFWLU-UHFFFAOYSA-N 2 1 391.437 3.600 20 0 GHADMP CCOc1cc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)ccc1OC(F)F ZINC000662250737 843017087 /nfs/dbraw/zinc/01/70/87/843017087.db2.gz NCEWNTFBQGLUOD-UHFFFAOYSA-N 2 1 376.447 3.964 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662280349 843061896 /nfs/dbraw/zinc/06/18/96/843061896.db2.gz OIRLZRCZXDCXAX-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662280349 843061906 /nfs/dbraw/zinc/06/19/06/843061906.db2.gz OIRLZRCZXDCXAX-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000662388589 843169634 /nfs/dbraw/zinc/16/96/34/843169634.db2.gz RLSUVVXQYCGUSZ-MRXNPFEDSA-N 2 1 383.561 3.698 20 0 GHADMP C[NH2+][C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000662398834 843185268 /nfs/dbraw/zinc/18/52/68/843185268.db2.gz JMALSNBAJRVJPO-GOSISDBHSA-N 2 1 396.318 3.833 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OCC(F)(F)F ZINC000663346719 843263436 /nfs/dbraw/zinc/26/34/36/843263436.db2.gz DFSAAYGNVKJWEM-KRWDZBQOSA-N 2 1 386.458 3.848 20 0 GHADMP COc1ccc(-n2ccc(C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)n2)cc1 ZINC000178711306 861400984 /nfs/dbraw/zinc/40/09/84/861400984.db2.gz GVZWOJPZEJMMFH-GOSISDBHSA-N 2 1 394.519 3.672 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000165312415 843363138 /nfs/dbraw/zinc/36/31/38/843363138.db2.gz LTDKXZOINONAHN-PZJWPPBQSA-N 2 1 393.531 3.858 20 0 GHADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000662513137 843375433 /nfs/dbraw/zinc/37/54/33/843375433.db2.gz ZHJZNPGHDVKROB-UHFFFAOYSA-N 2 1 395.572 3.522 20 0 GHADMP C[NH2+][C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1Cl ZINC000662525384 843381876 /nfs/dbraw/zinc/38/18/76/843381876.db2.gz RUWFNAIFQGAJLJ-SFHVURJKSA-N 2 1 384.351 3.731 20 0 GHADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432670543 843387994 /nfs/dbraw/zinc/38/79/94/843387994.db2.gz MZQLVMAVGMFHQU-HOJAQTOUSA-N 2 1 389.609 3.729 20 0 GHADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432670543 843388005 /nfs/dbraw/zinc/38/80/05/843388005.db2.gz MZQLVMAVGMFHQU-HOJAQTOUSA-N 2 1 389.609 3.729 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)cc1)C1CC1 ZINC000599627414 861417065 /nfs/dbraw/zinc/41/70/65/861417065.db2.gz AZSZWOZXHHJKSI-LJQANCHMSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1)C1CC1 ZINC000599627414 861417070 /nfs/dbraw/zinc/41/70/70/861417070.db2.gz AZSZWOZXHHJKSI-LJQANCHMSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1)C1CC1 ZINC000599627414 861417074 /nfs/dbraw/zinc/41/70/74/861417074.db2.gz AZSZWOZXHHJKSI-LJQANCHMSA-N 2 1 379.548 3.921 20 0 GHADMP [NH3+]CCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000418675709 843526318 /nfs/dbraw/zinc/52/63/18/843526318.db2.gz PUWBXINTIGIBIT-JOCHJYFZSA-N 2 1 398.526 3.523 20 0 GHADMP [NH3+]CCC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000418675709 843526327 /nfs/dbraw/zinc/52/63/27/843526327.db2.gz PUWBXINTIGIBIT-JOCHJYFZSA-N 2 1 398.526 3.523 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182378746 843543806 /nfs/dbraw/zinc/54/38/06/843543806.db2.gz YIBYYZGRJCCDJA-CTNGQTDRSA-N 2 1 398.595 3.735 20 0 GHADMP CC1CC[NH+](CCNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000410337097 843673898 /nfs/dbraw/zinc/67/38/98/843673898.db2.gz LQBHZICWIXFQCP-FQEVSTJZSA-N 2 1 386.584 3.592 20 0 GHADMP CCOc1cc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc(Br)c1OC ZINC000092253685 843753807 /nfs/dbraw/zinc/75/38/07/843753807.db2.gz ABGYTLZMKXORNZ-AWEZNQCLSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Br)c1OC ZINC000092253685 843753811 /nfs/dbraw/zinc/75/38/11/843753811.db2.gz ABGYTLZMKXORNZ-AWEZNQCLSA-N 2 1 385.346 3.630 20 0 GHADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Br)c1OC ZINC000092253685 843753818 /nfs/dbraw/zinc/75/38/18/843753818.db2.gz ABGYTLZMKXORNZ-AWEZNQCLSA-N 2 1 385.346 3.630 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512429315 843762732 /nfs/dbraw/zinc/76/27/32/843762732.db2.gz FLYHAMQEIVULJY-SIKLNZKXSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512429315 843762736 /nfs/dbraw/zinc/76/27/36/843762736.db2.gz FLYHAMQEIVULJY-SIKLNZKXSA-N 2 1 397.567 3.524 20 0 GHADMP FC1(F)CCC[C@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444083 843818669 /nfs/dbraw/zinc/81/86/69/843818669.db2.gz KMQBWNZWYQPEPV-LEWJYISDSA-N 2 1 377.523 3.704 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCCN(c4ccccc4)C3)sc2C1 ZINC000433199101 843820142 /nfs/dbraw/zinc/82/01/42/843820142.db2.gz BAUFGJFWNTZGSD-GOSISDBHSA-N 2 1 384.593 3.916 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCCN(c4ccccc4)C3)sc2C1 ZINC000433199101 843820155 /nfs/dbraw/zinc/82/01/55/843820155.db2.gz BAUFGJFWNTZGSD-GOSISDBHSA-N 2 1 384.593 3.916 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000474939729 861501634 /nfs/dbraw/zinc/50/16/34/861501634.db2.gz CFLDOFVZZLIVCP-FGSXEWAUSA-N 2 1 398.547 3.552 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000512630612 844837395 /nfs/dbraw/zinc/83/73/95/844837395.db2.gz NRPIFZKYLVTEOT-TZRRMPRUSA-N 2 1 391.559 3.779 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000512659710 844938727 /nfs/dbraw/zinc/93/87/27/844938727.db2.gz JJULIEKXULGYGE-VABKMULXSA-N 2 1 376.548 3.787 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179269818 861515252 /nfs/dbraw/zinc/51/52/52/861515252.db2.gz WFGDOACGQMATGL-VXKWHMMOSA-N 2 1 384.568 3.528 20 0 GHADMP FC(F)(F)c1cnc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000246570084 845201183 /nfs/dbraw/zinc/20/11/83/845201183.db2.gz XWLCGEHSMCGCER-KBPBESRZSA-N 2 1 377.838 3.739 20 0 GHADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)C2)cc1 ZINC000513344260 845273887 /nfs/dbraw/zinc/27/38/87/845273887.db2.gz YXZYKVJLTYYCNH-DHLKQENFSA-N 2 1 386.543 3.915 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)C2)cc1 ZINC000513344260 845273897 /nfs/dbraw/zinc/27/38/97/845273897.db2.gz YXZYKVJLTYYCNH-DHLKQENFSA-N 2 1 386.543 3.915 20 0 GHADMP Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000664010368 845353980 /nfs/dbraw/zinc/35/39/80/845353980.db2.gz BYIVLCPXRNXRAN-UHFFFAOYSA-N 2 1 391.462 3.836 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000179396192 861563244 /nfs/dbraw/zinc/56/32/44/861563244.db2.gz UPPYWOFDPVJBEB-UHFFFAOYSA-N 2 1 385.483 3.746 20 0 GHADMP C[C@@H]1C[C@H](N(C)[C@H]2CCC3(C[C@H]2F)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000892006854 845395009 /nfs/dbraw/zinc/39/50/09/845395009.db2.gz CPTWQXIZWOYRLA-WLRLJWMZSA-N 2 1 376.516 3.605 20 0 GHADMP C[C@@H]1C[C@H](N(C)[C@H]2CCC3(C[C@H]2F)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000892006854 845395028 /nfs/dbraw/zinc/39/50/28/845395028.db2.gz CPTWQXIZWOYRLA-WLRLJWMZSA-N 2 1 376.516 3.605 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000512777129 845492024 /nfs/dbraw/zinc/49/20/24/845492024.db2.gz ADAWXJRZXHJQHH-UHFFFAOYSA-N 2 1 379.548 3.576 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000433147497 845501069 /nfs/dbraw/zinc/50/10/69/845501069.db2.gz OURIWSZTMIUCHY-UHFFFAOYSA-N 2 1 387.527 3.859 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513499486 845553858 /nfs/dbraw/zinc/55/38/58/845553858.db2.gz GRRZIHFNLDRKSJ-TZIWHRDSSA-N 2 1 389.547 3.872 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472070101 845692293 /nfs/dbraw/zinc/69/22/93/845692293.db2.gz ZCVBSUNAAPWNGN-RBBKRZOGSA-N 2 1 388.600 3.660 20 0 GHADMP C[C@@]1(CNCc2ccc(-n3cncn3)c(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000548624615 845903951 /nfs/dbraw/zinc/90/39/51/845903951.db2.gz HTGYVCFZDQPJKX-QFIPXVFZSA-N 2 1 379.483 3.551 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)Cc3ccc(OC)c(F)c3)CC2)CC1 ZINC000421373028 846185381 /nfs/dbraw/zinc/18/53/81/846185381.db2.gz LZMXMCLAEMJFPM-LJQANCHMSA-N 2 1 391.575 3.505 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000664217441 846234653 /nfs/dbraw/zinc/23/46/53/846234653.db2.gz KGWGOBXCMDOPBE-XLIONFOSSA-N 2 1 394.991 3.676 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000502648097 846313892 /nfs/dbraw/zinc/31/38/92/846313892.db2.gz MEZLDOMORNTTKO-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000472166354 846349773 /nfs/dbraw/zinc/34/97/73/846349773.db2.gz WSNJMUZBTNBZML-HSZRJFAPSA-N 2 1 391.559 3.858 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000502760165 846417626 /nfs/dbraw/zinc/41/76/26/846417626.db2.gz RJBTWNFFLPYWNI-UHFFFAOYSA-N 2 1 385.596 3.938 20 0 GHADMP Cc1ccc(-c2ccc(C[NH+]3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)o2)cc1 ZINC000093142946 846535951 /nfs/dbraw/zinc/53/59/51/846535951.db2.gz IAGQQEPZHUWSPS-UHFFFAOYSA-N 2 1 395.547 3.631 20 0 GHADMP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050063 846576970 /nfs/dbraw/zinc/57/69/70/846576970.db2.gz KRDOOTLXOVIKHX-UXHICEINSA-N 2 1 394.563 3.804 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C(C)C)c(F)c1 ZINC000421858650 846624922 /nfs/dbraw/zinc/62/49/22/846624922.db2.gz RSJXNZQIGDGLRE-NRFANRHFSA-N 2 1 375.488 3.657 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1)C1CC1 ZINC000509941409 846632649 /nfs/dbraw/zinc/63/26/49/846632649.db2.gz YXGJOQOXWJQOMP-UHFFFAOYSA-N 2 1 383.536 3.776 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2cc(Br)cc(Br)c2)CC1 ZINC000582208295 846632909 /nfs/dbraw/zinc/63/29/09/846632909.db2.gz PZNGROZEWSBYLH-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCC1)c1ccccc1 ZINC000503080001 846782622 /nfs/dbraw/zinc/78/26/22/846782622.db2.gz DQCFYLQAFYFJKF-JBACZVJFSA-N 2 1 384.568 3.576 20 0 GHADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000503080364 846784144 /nfs/dbraw/zinc/78/41/44/846784144.db2.gz FFWYHBSOOMZYIB-IBGZPJMESA-N 2 1 386.584 3.687 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000501407809 846910350 /nfs/dbraw/zinc/91/03/50/846910350.db2.gz QDWMLQMBUWMWRK-JOCHJYFZSA-N 2 1 386.584 3.765 20 0 GHADMP CCC[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000582368213 846970688 /nfs/dbraw/zinc/97/06/88/846970688.db2.gz ASQJOQMYDGCWBE-JOCHJYFZSA-N 2 1 385.596 3.710 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044593 861740473 /nfs/dbraw/zinc/74/04/73/861740473.db2.gz GAWSTQVOEVDRBV-IHOVJFEMSA-N 2 1 399.579 3.883 20 0 GHADMP CN(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)C1CC[NH2+]CC1 ZINC000420140909 847014034 /nfs/dbraw/zinc/01/40/34/847014034.db2.gz QQINOSSUNIWQNL-UHFFFAOYSA-N 2 1 381.549 3.608 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272473096 847086010 /nfs/dbraw/zinc/08/60/10/847086010.db2.gz RYKDAKROGCYHPY-AZUAARDMSA-N 2 1 381.524 3.613 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272473096 847086017 /nfs/dbraw/zinc/08/60/17/847086017.db2.gz RYKDAKROGCYHPY-AZUAARDMSA-N 2 1 381.524 3.613 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000164689382 847108869 /nfs/dbraw/zinc/10/88/69/847108869.db2.gz GJYRJHWOEUYGBK-CYBMUJFWSA-N 2 1 383.277 3.927 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000647900738 847120588 /nfs/dbraw/zinc/12/05/88/847120588.db2.gz FVRRPRCTACKQDP-DHIUTWEWSA-N 2 1 391.559 3.746 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000420378695 847147421 /nfs/dbraw/zinc/14/74/21/847147421.db2.gz BKXTXUJPXUOMTA-MIZPHKNDSA-N 2 1 397.588 3.808 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(OC)c(OC)c1 ZINC000272717421 847154656 /nfs/dbraw/zinc/15/46/56/847154656.db2.gz DISVYXLTCLKVBQ-RTWAWAEBSA-N 2 1 384.520 3.511 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501827664 847217572 /nfs/dbraw/zinc/21/75/72/847217572.db2.gz QIQVJYCFWAENLG-RTWAWAEBSA-N 2 1 397.567 3.744 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000582501759 847428541 /nfs/dbraw/zinc/42/85/41/847428541.db2.gz DUHXENLITGYDQG-QTLGCAHFSA-N 2 1 393.575 3.724 20 0 GHADMP c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000420937081 847556788 /nfs/dbraw/zinc/55/67/88/847556788.db2.gz NENYFTDMNROVEP-UHFFFAOYSA-N 3 1 385.596 3.607 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000420981590 847589316 /nfs/dbraw/zinc/58/93/16/847589316.db2.gz NFQFERPMVCFMIQ-UHFFFAOYSA-N 2 1 384.593 3.802 20 0 GHADMP Fc1ccc(CC2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCOCC2)cc1 ZINC000420974432 847601368 /nfs/dbraw/zinc/60/13/68/847601368.db2.gz OGHVNLARTZMTIN-UHFFFAOYSA-N 2 1 398.522 3.539 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3cccc4ccccc43)CC2)CC1 ZINC000420974716 847602279 /nfs/dbraw/zinc/60/22/79/847602279.db2.gz DWLKPZVPLMJVJE-UHFFFAOYSA-N 2 1 381.564 3.711 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000502265668 847648494 /nfs/dbraw/zinc/64/84/94/847648494.db2.gz BRPQLFLDVQPGLS-XGAJZPNHSA-N 2 1 379.548 3.580 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000502265668 847648501 /nfs/dbraw/zinc/64/85/01/847648501.db2.gz BRPQLFLDVQPGLS-XGAJZPNHSA-N 2 1 379.548 3.580 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422736222 847790192 /nfs/dbraw/zinc/79/01/92/847790192.db2.gz FZBNULDDPWIAAN-BZVKRPRLSA-N 2 1 377.532 3.667 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422736222 847790200 /nfs/dbraw/zinc/79/02/00/847790200.db2.gz FZBNULDDPWIAAN-BZVKRPRLSA-N 2 1 377.532 3.667 20 0 GHADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000422722732 847797126 /nfs/dbraw/zinc/79/71/26/847797126.db2.gz YSKZETUSNNRCKM-SGNDLWITSA-N 2 1 381.564 3.779 20 0 GHADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1c(F)cccc1Cl ZINC000422796363 847826623 /nfs/dbraw/zinc/82/66/23/847826623.db2.gz JDYHZMGNFLYOKL-WJPUGNRLSA-N 2 1 376.903 3.713 20 0 GHADMP c1ccc([C@H](CN2CCCC2)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422800264 847828553 /nfs/dbraw/zinc/82/85/53/847828553.db2.gz AZXXTNTYQZCFQE-GPXNEJASSA-N 2 1 377.532 3.669 20 0 GHADMP COc1ccc([C@@H](NCCc2[nH+]ccn2Cc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422815028 847836873 /nfs/dbraw/zinc/83/68/73/847836873.db2.gz ANSORADCFCKAQJ-LADGPHEKSA-N 2 1 390.531 3.565 20 0 GHADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000422835216 847846348 /nfs/dbraw/zinc/84/63/48/847846348.db2.gz YHOJCKLFDVGWEO-WMLDXEAASA-N 2 1 382.426 3.684 20 0 GHADMP C[C@@H]1C[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000422835348 847847667 /nfs/dbraw/zinc/84/76/67/847847667.db2.gz IKRKHGSCLXCQLM-ASASOQJESA-N 2 1 391.559 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCN1Cc1ccccc1 ZINC000422835348 847847669 /nfs/dbraw/zinc/84/76/69/847847669.db2.gz IKRKHGSCLXCQLM-ASASOQJESA-N 2 1 391.559 3.885 20 0 GHADMP COc1ccc([C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422851907 847854850 /nfs/dbraw/zinc/85/48/50/847854850.db2.gz XMESBZYVWAKNMX-XZOQPEGZSA-N 2 1 380.532 3.826 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCCC1)c1ccccc1 ZINC000503734676 847927664 /nfs/dbraw/zinc/92/76/64/847927664.db2.gz KEQIOWAOLHKPCN-PZJWPPBQSA-N 2 1 398.595 3.966 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000611687762 847959995 /nfs/dbraw/zinc/95/99/95/847959995.db2.gz ZRHQWFBVRJMBKX-FXAWDEMLSA-N 2 1 392.975 3.651 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cccc(C3CC3)c2)c1 ZINC000421339073 847961536 /nfs/dbraw/zinc/96/15/36/847961536.db2.gz FNHIPBRJSXMZEA-UHFFFAOYSA-N 2 1 393.531 3.515 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(OC(F)F)cc1C ZINC000657593990 848284985 /nfs/dbraw/zinc/28/49/85/848284985.db2.gz FUINQBORUGSDEE-HXUWFJFHSA-N 2 1 390.474 3.761 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237588720 848419139 /nfs/dbraw/zinc/41/91/39/848419139.db2.gz CBGNXKVTNPVFFO-DYESRHJHSA-N 2 1 385.939 3.710 20 0 GHADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237588720 848419143 /nfs/dbraw/zinc/41/91/43/848419143.db2.gz CBGNXKVTNPVFFO-DYESRHJHSA-N 2 1 385.939 3.710 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000472267151 848492863 /nfs/dbraw/zinc/49/28/63/848492863.db2.gz BUJJYCLIPNSHNQ-KRWDZBQOSA-N 2 1 379.451 3.553 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000472267151 848492867 /nfs/dbraw/zinc/49/28/67/848492867.db2.gz BUJJYCLIPNSHNQ-KRWDZBQOSA-N 2 1 379.451 3.553 20 0 GHADMP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000604171034 861923269 /nfs/dbraw/zinc/92/32/69/861923269.db2.gz JOGZKVSUBFPAAH-KCZVDYSFSA-N 2 1 386.584 3.633 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@H]21 ZINC000583028764 848912486 /nfs/dbraw/zinc/91/24/86/848912486.db2.gz ULIPOZLDDQYTFO-XNRPHZJLSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@H]21 ZINC000583028764 848912489 /nfs/dbraw/zinc/91/24/89/848912489.db2.gz ULIPOZLDDQYTFO-XNRPHZJLSA-N 2 1 376.298 3.663 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000123954113 849235135 /nfs/dbraw/zinc/23/51/35/849235135.db2.gz VAPLALNNGDEEJY-QGZVFWFLSA-N 2 1 389.565 3.751 20 0 GHADMP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604209459 861995807 /nfs/dbraw/zinc/99/58/07/861995807.db2.gz UJWSEKYLVKWUDS-JOCHJYFZSA-N 2 1 394.563 3.540 20 0 GHADMP CCN(Cc1ccc2ccccc2c1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604209459 861995817 /nfs/dbraw/zinc/99/58/17/861995817.db2.gz UJWSEKYLVKWUDS-JOCHJYFZSA-N 2 1 394.563 3.540 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000472286640 849761010 /nfs/dbraw/zinc/76/10/10/849761010.db2.gz JVNBCJVGIJXJQS-AEFFLSMTSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000472286640 849761016 /nfs/dbraw/zinc/76/10/16/849761016.db2.gz JVNBCJVGIJXJQS-AEFFLSMTSA-N 2 1 390.503 3.678 20 0 GHADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nnn1-c1cccc(Br)c1 ZINC000423277691 849847624 /nfs/dbraw/zinc/84/76/24/849847624.db2.gz PUHKTYVKLLZZJW-DXCKQFNASA-N 2 1 392.345 3.506 20 0 GHADMP COc1ccccc1CCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000505567815 849894718 /nfs/dbraw/zinc/89/47/18/849894718.db2.gz CNPSFYMAWPBFGP-UHFFFAOYSA-N 3 1 387.612 3.756 20 0 GHADMP COc1ccccc1CCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000505567815 849894723 /nfs/dbraw/zinc/89/47/23/849894723.db2.gz CNPSFYMAWPBFGP-UHFFFAOYSA-N 3 1 387.612 3.756 20 0 GHADMP COc1ccccc1CCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000505567815 849894726 /nfs/dbraw/zinc/89/47/26/849894726.db2.gz CNPSFYMAWPBFGP-UHFFFAOYSA-N 3 1 387.612 3.756 20 0 GHADMP CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423397460 849901130 /nfs/dbraw/zinc/90/11/30/849901130.db2.gz SWPXCJUWUCMISS-VWPQPMDRSA-N 2 1 386.561 3.601 20 0 GHADMP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505722 849947418 /nfs/dbraw/zinc/94/74/18/849947418.db2.gz HUPVBRXGFZPSGD-DZIBYMRMSA-N 2 1 384.593 3.986 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000435105941 850086032 /nfs/dbraw/zinc/08/60/32/850086032.db2.gz MVCFZIQINRMHBQ-YADHBBJMSA-N 2 1 384.568 3.806 20 0 GHADMP Brc1ccc2c(c1)C=C(C[NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC000518781122 850090171 /nfs/dbraw/zinc/09/01/71/850090171.db2.gz RKKKXBKOQXXWOE-UHFFFAOYSA-N 2 1 377.326 3.831 20 0 GHADMP Cc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000514640146 850091453 /nfs/dbraw/zinc/09/14/53/850091453.db2.gz YHDGQULNNMVCMO-QFIPXVFZSA-N 2 1 392.547 3.661 20 0 GHADMP Cc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000514640146 850091455 /nfs/dbraw/zinc/09/14/55/850091455.db2.gz YHDGQULNNMVCMO-QFIPXVFZSA-N 2 1 392.547 3.661 20 0 GHADMP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486828172 850149033 /nfs/dbraw/zinc/14/90/33/850149033.db2.gz VBJGYBIPDGRIOG-WIYYLYMNSA-N 2 1 380.536 3.780 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)CC(C)C ZINC000426448616 850211068 /nfs/dbraw/zinc/21/10/68/850211068.db2.gz COQCZHBPLLEKHV-INIZCTEOSA-N 2 1 393.482 3.691 20 0 GHADMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000514728564 850229650 /nfs/dbraw/zinc/22/96/50/850229650.db2.gz XKTLACVIJJRBJV-QFIPXVFZSA-N 2 1 381.520 3.505 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc3c(cc1Br)OCCCO3)CC[NH2+]CC2 ZINC000424302572 850343026 /nfs/dbraw/zinc/34/30/26/850343026.db2.gz ZXMPIJBXPDURJP-CQSZACIVSA-N 2 1 395.341 3.574 20 0 GHADMP O[C@@]1(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000424327730 850364397 /nfs/dbraw/zinc/36/43/97/850364397.db2.gz ZKVNQLXEAGCXOY-FYYLOGMGSA-N 2 1 393.556 3.654 20 0 GHADMP O[C@@]1(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000424327730 850364402 /nfs/dbraw/zinc/36/44/02/850364402.db2.gz ZKVNQLXEAGCXOY-FYYLOGMGSA-N 2 1 393.556 3.654 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCc1ccsc1 ZINC000783433909 850461954 /nfs/dbraw/zinc/46/19/54/850461954.db2.gz CIOBOZCRCPNKFS-UHFFFAOYSA-N 2 1 391.625 3.726 20 0 GHADMP Ic1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965426 850543534 /nfs/dbraw/zinc/54/35/34/850543534.db2.gz FGZPTYHGWVFAKO-AYHJJNSGSA-N 2 1 396.316 3.786 20 0 GHADMP CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435617579 850702893 /nfs/dbraw/zinc/70/28/93/850702893.db2.gz WJAFEZULGOVJDO-GHTZIAJQSA-N 2 1 389.540 3.557 20 0 GHADMP CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435617579 850702901 /nfs/dbraw/zinc/70/29/01/850702901.db2.gz WJAFEZULGOVJDO-GHTZIAJQSA-N 2 1 389.540 3.557 20 0 GHADMP CN(C)C(=O)c1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435694519 850775164 /nfs/dbraw/zinc/77/51/64/850775164.db2.gz LQRICIMRJZPQOJ-FQEVSTJZSA-N 2 1 383.561 3.594 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000514026000 851160836 /nfs/dbraw/zinc/16/08/36/851160836.db2.gz BOKXZZIPOKBDCP-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000514089221 851228412 /nfs/dbraw/zinc/22/84/12/851228412.db2.gz KXUFKGCFYDEPJC-UHFFFAOYSA-N 2 1 391.559 3.652 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000514124106 851289384 /nfs/dbraw/zinc/28/93/84/851289384.db2.gz YWKMMBBFZKWMOG-KCZVDYSFSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514124106 851289399 /nfs/dbraw/zinc/28/93/99/851289399.db2.gz YWKMMBBFZKWMOG-KCZVDYSFSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514124106 851289409 /nfs/dbraw/zinc/28/94/09/851289409.db2.gz YWKMMBBFZKWMOG-KCZVDYSFSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000514139310 851304709 /nfs/dbraw/zinc/30/47/09/851304709.db2.gz YSPGIVWSDZCPTG-IRLDBZIGSA-N 2 1 386.584 3.633 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000515669846 851316725 /nfs/dbraw/zinc/31/67/25/851316725.db2.gz CZEYFAFINMFEOM-HSZRJFAPSA-N 2 1 393.575 3.821 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000469490850 851348090 /nfs/dbraw/zinc/34/80/90/851348090.db2.gz YQCLOLXXTRGMCJ-MJBXVCDLSA-N 2 1 382.346 3.711 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000469490850 851348093 /nfs/dbraw/zinc/34/80/93/851348093.db2.gz YQCLOLXXTRGMCJ-MJBXVCDLSA-N 2 1 382.346 3.711 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000488291514 851382597 /nfs/dbraw/zinc/38/25/97/851382597.db2.gz FVGIKZJFVIMIFF-UHFFFAOYSA-N 2 1 399.501 3.631 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000434677034 851471669 /nfs/dbraw/zinc/47/16/69/851471669.db2.gz VXCGNWFSYHMRTA-UHFFFAOYSA-N 2 1 386.584 3.684 20 0 GHADMP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110911094 851478561 /nfs/dbraw/zinc/47/85/61/851478561.db2.gz MVQVROCGLPTDBX-QHCPKHFHSA-N 2 1 379.548 3.660 20 0 GHADMP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488453464 851524133 /nfs/dbraw/zinc/52/41/33/851524133.db2.gz XXDXGKAIRGCEFQ-DEOSSOPVSA-N 2 1 391.559 3.852 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000488475045 851526940 /nfs/dbraw/zinc/52/69/40/851526940.db2.gz GVSDKAUZPGEXOC-NFBKMPQASA-N 2 1 398.595 3.648 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000488475047 851527478 /nfs/dbraw/zinc/52/74/78/851527478.db2.gz GVSDKAUZPGEXOC-OFNKIYASSA-N 2 1 398.595 3.648 20 0 GHADMP CCCN(Cc1ccc(F)cc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000515864688 851564118 /nfs/dbraw/zinc/56/41/18/851564118.db2.gz LAEDWYCFDKUYSY-UHFFFAOYSA-N 2 1 389.559 3.761 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000475035095 862280250 /nfs/dbraw/zinc/28/02/50/862280250.db2.gz UOLDEFJWLUORGP-DHIUTWEWSA-N 2 1 377.532 3.557 20 0 GHADMP O=C([C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCC1 ZINC001167977895 851931054 /nfs/dbraw/zinc/93/10/54/851931054.db2.gz IJYLHFOTJNBEGM-UCBGAZFYSA-N 2 1 395.591 3.605 20 0 GHADMP O=C([C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCC1 ZINC001167977895 851931063 /nfs/dbraw/zinc/93/10/63/851931063.db2.gz IJYLHFOTJNBEGM-UCBGAZFYSA-N 2 1 395.591 3.605 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCCC1 ZINC000111834913 851939385 /nfs/dbraw/zinc/93/93/85/851939385.db2.gz OGQMNHXMYYUYIQ-SNWXZZBVSA-N 2 1 398.595 3.603 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccccc2OC(F)F)[C@@H](c2ccccc2)C1 ZINC000517537069 852065500 /nfs/dbraw/zinc/06/55/00/852065500.db2.gz CDKNUQPHFWFLCM-HXUWFJFHSA-N 2 1 389.490 3.756 20 0 GHADMP CC(=O)NC1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000516032763 852089383 /nfs/dbraw/zinc/08/93/83/852089383.db2.gz COMFCFAELOCGDY-KQGPZRGRSA-N 2 1 383.580 3.714 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000516181251 852227164 /nfs/dbraw/zinc/22/71/64/852227164.db2.gz FHGRVVVEHVZCRN-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H](OC(C)C)C2)cc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000516178776 852248382 /nfs/dbraw/zinc/24/83/82/852248382.db2.gz GTIVOVPAVHAXOQ-FGZHOGPDSA-N 2 1 390.568 3.694 20 0 GHADMP CCCN(C(=O)NCc1ccc(C[NH3+])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516179554 852249564 /nfs/dbraw/zinc/24/95/64/852249564.db2.gz YLMGCVNYJLWGPI-QHCPKHFHSA-N 2 1 394.563 3.732 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000489448428 852364299 /nfs/dbraw/zinc/36/42/99/852364299.db2.gz RRKCKFWFLPGOMS-TUNNFDKTSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000489448428 852364304 /nfs/dbraw/zinc/36/43/04/852364304.db2.gz RRKCKFWFLPGOMS-TUNNFDKTSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000489448428 852364307 /nfs/dbraw/zinc/36/43/07/852364307.db2.gz RRKCKFWFLPGOMS-TUNNFDKTSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1cc2c(cc1F)[nH+]c1c(c2N2CCC([N@H+]3CC[C@H](O)C3)CC2)CCCC1 ZINC000664598829 852633906 /nfs/dbraw/zinc/63/39/06/852633906.db2.gz WOOZJYIPXRMKSA-KRWDZBQOSA-N 2 1 383.511 3.597 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000507174084 852643654 /nfs/dbraw/zinc/64/36/54/852643654.db2.gz QFMGCAGWROYLQK-JOCHJYFZSA-N 2 1 393.579 3.863 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000507174084 852643655 /nfs/dbraw/zinc/64/36/55/852643655.db2.gz QFMGCAGWROYLQK-JOCHJYFZSA-N 2 1 393.579 3.863 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000516579424 852747304 /nfs/dbraw/zinc/74/73/04/852747304.db2.gz WTEPHPLWEFAVIC-DENIHFKCSA-N 2 1 386.584 3.585 20 0 GHADMP NC(=O)CCCCC[NH+]1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001280280290 852759735 /nfs/dbraw/zinc/75/97/35/852759735.db2.gz QNEFZMTZYZDBSW-UHFFFAOYSA-N 2 1 377.495 3.553 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598787 852781466 /nfs/dbraw/zinc/78/14/66/852781466.db2.gz HYVNMHDSEDRKEM-RBZQAINGSA-N 2 1 397.607 3.541 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598787 852781473 /nfs/dbraw/zinc/78/14/73/852781473.db2.gz HYVNMHDSEDRKEM-RBZQAINGSA-N 2 1 397.607 3.541 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccccc2)CC1 ZINC000507337265 852784952 /nfs/dbraw/zinc/78/49/52/852784952.db2.gz FPLOGXJXXPOTJY-UHFFFAOYSA-N 2 1 379.548 3.554 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000507376009 852829788 /nfs/dbraw/zinc/82/97/88/852829788.db2.gz FHLKCVGIPVDFBU-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000507376009 852829793 /nfs/dbraw/zinc/82/97/93/852829793.db2.gz FHLKCVGIPVDFBU-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000507376009 852829802 /nfs/dbraw/zinc/82/98/02/852829802.db2.gz FHLKCVGIPVDFBU-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000490223627 852834244 /nfs/dbraw/zinc/83/42/44/852834244.db2.gz UFEVBLDSYHOWGO-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP CC[N@@H+](CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)CCC(F)(F)F ZINC000427267870 852918812 /nfs/dbraw/zinc/91/88/12/852918812.db2.gz SCWJETJYMNZGBY-UHFFFAOYSA-N 2 1 399.501 3.679 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000427301116 852953784 /nfs/dbraw/zinc/95/37/84/852953784.db2.gz HZRCAVFVVOSREQ-RXVVDRJESA-N 2 1 397.588 3.744 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000427301116 852953788 /nfs/dbraw/zinc/95/37/88/852953788.db2.gz HZRCAVFVVOSREQ-RXVVDRJESA-N 2 1 397.588 3.744 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000151148317 853110381 /nfs/dbraw/zinc/11/03/81/853110381.db2.gz ZVDQKAHFGDFEFE-DZFGPLHGSA-N 2 1 380.960 3.729 20 0 GHADMP CC(C)Oc1ccccc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000518269379 853144030 /nfs/dbraw/zinc/14/40/30/853144030.db2.gz BUFMUUGFLUSKEU-HSZRJFAPSA-N 2 1 381.564 3.942 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000438991947 853167141 /nfs/dbraw/zinc/16/71/41/853167141.db2.gz FFVIMTQUGCTWPT-MRXNPFEDSA-N 2 1 382.508 3.677 20 0 GHADMP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473880918 853306102 /nfs/dbraw/zinc/30/61/02/853306102.db2.gz YNHRUTANGQPZFQ-IFMALSPDSA-N 2 1 386.584 3.729 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491017255 853398372 /nfs/dbraw/zinc/39/83/72/853398372.db2.gz CRSWZQHEEOBEEF-GBXCKJPGSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491017255 853398377 /nfs/dbraw/zinc/39/83/77/853398377.db2.gz CRSWZQHEEOBEEF-GBXCKJPGSA-N 2 1 379.548 3.937 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000491024745 853404343 /nfs/dbraw/zinc/40/43/43/853404343.db2.gz AYOWVDLCIZCMAI-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000491024745 853404346 /nfs/dbraw/zinc/40/43/46/853404346.db2.gz AYOWVDLCIZCMAI-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000491024745 853404348 /nfs/dbraw/zinc/40/43/48/853404348.db2.gz AYOWVDLCIZCMAI-GMAHTHKFSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000519720215 853405086 /nfs/dbraw/zinc/40/50/86/853405086.db2.gz YZHKTHFINLEOCQ-KBXCAEBGSA-N 2 1 391.357 3.927 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000519720215 853405093 /nfs/dbraw/zinc/40/50/93/853405093.db2.gz YZHKTHFINLEOCQ-KBXCAEBGSA-N 2 1 391.357 3.927 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000491078297 853418800 /nfs/dbraw/zinc/41/88/00/853418800.db2.gz VJBMNPRLEXEJSO-HSZRJFAPSA-N 2 1 382.548 3.579 20 0 GHADMP O[C@H](COc1ccccc1Cl)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055695 853428761 /nfs/dbraw/zinc/42/87/61/853428761.db2.gz ANFNGHSHDUJAJA-MOPGFXCFSA-N 2 1 380.960 3.668 20 0 GHADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491055695 853428767 /nfs/dbraw/zinc/42/87/67/853428767.db2.gz ANFNGHSHDUJAJA-MOPGFXCFSA-N 2 1 380.960 3.668 20 0 GHADMP Fc1ccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)co2)cc1F ZINC000491059006 853430772 /nfs/dbraw/zinc/43/07/72/853430772.db2.gz QISFMWLJCUMVQF-UHFFFAOYSA-N 2 1 391.462 3.554 20 0 GHADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)C(C)(C)C ZINC000604774192 862471697 /nfs/dbraw/zinc/47/16/97/862471697.db2.gz FJXRFENDDUYWKV-IAGOWNOFSA-N 2 1 385.474 3.767 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000519884546 853580688 /nfs/dbraw/zinc/58/06/88/853580688.db2.gz GIMRFUIQZHLWOS-HSZRJFAPSA-N 2 1 377.532 3.928 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000519937730 853648534 /nfs/dbraw/zinc/64/85/34/853648534.db2.gz IZODHWDBEOCBOP-QHCPKHFHSA-N 2 1 394.563 3.775 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000519937814 853648569 /nfs/dbraw/zinc/64/85/69/853648569.db2.gz SCCBETDQRBWUBT-OALUTQOASA-N 2 1 388.600 3.694 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570925124 853671924 /nfs/dbraw/zinc/67/19/24/853671924.db2.gz FEUOENLKOMVKTE-RPWUZVMVSA-N 2 1 391.559 3.537 20 0 GHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000623891423 862504951 /nfs/dbraw/zinc/50/49/51/862504951.db2.gz MCJOMMCCGCAASS-HIFRSBDPSA-N 2 1 393.881 3.511 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC(C)(C)c4ccccc43)cc2)CC1 ZINC000481913658 862510929 /nfs/dbraw/zinc/51/09/29/862510929.db2.gz GRBCINBKAJYNST-QHCPKHFHSA-N 2 1 391.559 3.977 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000571685605 853986188 /nfs/dbraw/zinc/98/61/88/853986188.db2.gz KTPPAPAMBHSBLL-IBGZPJMESA-N 2 1 379.548 3.610 20 0 GHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)co2)cc1 ZINC000588710254 854368407 /nfs/dbraw/zinc/36/84/07/854368407.db2.gz IQBAOBJAQYYQAG-RTBURBONSA-N 2 1 383.536 3.971 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1csc2c1cccc2Br ZINC000572304356 854458781 /nfs/dbraw/zinc/45/87/81/854458781.db2.gz NCCKRXFCKXKYFW-OAHLLOKOSA-N 2 1 397.382 3.990 20 0 GHADMP CN(CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001167995448 854468290 /nfs/dbraw/zinc/46/82/90/854468290.db2.gz FXZOFCLXJJYCEJ-WCRBZPEASA-N 2 1 391.600 3.971 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)o1 ZINC000481989422 862583757 /nfs/dbraw/zinc/58/37/57/862583757.db2.gz BNJVPBJMWZEKAF-SFHVURJKSA-N 2 1 378.428 3.782 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc4c(cc(C)cc4C)[nH]3)CC2)CC1 ZINC000481982040 862591359 /nfs/dbraw/zinc/59/13/59/862591359.db2.gz FGMGVAIKYZYOQW-UHFFFAOYSA-N 2 1 396.579 3.551 20 0 GHADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(OCc2cccnc2)c1 ZINC000443971660 862617684 /nfs/dbraw/zinc/61/76/84/862617684.db2.gz VCWCXYUZDFGXCQ-KRWDZBQOSA-N 2 1 380.492 3.600 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572858809 855046171 /nfs/dbraw/zinc/04/61/71/855046171.db2.gz XLIHHDCCQTXATG-JTHBVZDNSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572858809 855046174 /nfs/dbraw/zinc/04/61/74/855046174.db2.gz XLIHHDCCQTXATG-JTHBVZDNSA-N 2 1 382.548 3.625 20 0 GHADMP O=C1Nc2ccccc2CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655791292 855192995 /nfs/dbraw/zinc/19/29/95/855192995.db2.gz LLEYBGYTNPGUPI-CUDBPUKSSA-N 2 1 375.516 3.725 20 0 GHADMP O=C1Nc2ccccc2CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655791292 855193002 /nfs/dbraw/zinc/19/30/02/855193002.db2.gz LLEYBGYTNPGUPI-CUDBPUKSSA-N 2 1 375.516 3.725 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000589992323 855234738 /nfs/dbraw/zinc/23/47/38/855234738.db2.gz LHBSVAZKDMNWMV-QHCPKHFHSA-N 2 1 379.548 3.982 20 0 GHADMP COc1ccc([C@@H]2C[C@@H]([NH+]3CCC4(CCn5c(C)c[nH+]c54)CC3)CCO2)cc1 ZINC001168643201 855647246 /nfs/dbraw/zinc/64/72/46/855647246.db2.gz CZHUHIJMJSYGDM-FPOVZHCZSA-N 2 1 381.520 3.858 20 0 GHADMP CN(C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004232 855752442 /nfs/dbraw/zinc/75/24/42/855752442.db2.gz RTKYAXXANOEPKW-GURQWTFNSA-N 2 1 377.573 3.581 20 0 GHADMP CN(C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004232 855752447 /nfs/dbraw/zinc/75/24/47/855752447.db2.gz RTKYAXXANOEPKW-GURQWTFNSA-N 2 1 377.573 3.581 20 0 GHADMP CN(C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004232 855752452 /nfs/dbraw/zinc/75/24/52/855752452.db2.gz RTKYAXXANOEPKW-GURQWTFNSA-N 2 1 377.573 3.581 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(Br)nn3C)c2)CC1 ZINC000785450583 855976811 /nfs/dbraw/zinc/97/68/11/855976811.db2.gz CDYYKIALGXLABZ-UHFFFAOYSA-N 2 1 391.357 3.704 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000482149088 862744754 /nfs/dbraw/zinc/74/47/54/862744754.db2.gz IGFNSMUZRRASHS-JENIJYKNSA-N 2 1 377.598 3.512 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000485040508 856018887 /nfs/dbraw/zinc/01/88/87/856018887.db2.gz LRLUWJBRUAHRCN-UHFFFAOYSA-N 2 1 379.932 3.628 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C[C@@H]1C ZINC000674031769 862749758 /nfs/dbraw/zinc/74/97/58/862749758.db2.gz ZLNLBKYUYRMRHZ-BVSLBCMMSA-N 2 1 386.584 3.728 20 0 GHADMP COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000591473491 856040705 /nfs/dbraw/zinc/04/07/05/856040705.db2.gz ZBAXAJNTFPJMNT-JOCHJYFZSA-N 2 1 396.531 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000520703809 856073798 /nfs/dbraw/zinc/07/37/98/856073798.db2.gz UYRQHMUGLLCVBD-DENIHFKCSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000520703809 856073806 /nfs/dbraw/zinc/07/38/06/856073806.db2.gz UYRQHMUGLLCVBD-DENIHFKCSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000520703809 856073817 /nfs/dbraw/zinc/07/38/17/856073817.db2.gz UYRQHMUGLLCVBD-DENIHFKCSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000391738100 856086768 /nfs/dbraw/zinc/08/67/68/856086768.db2.gz ABRWDPBMOGPZSY-HNNXBMFYSA-N 2 1 397.357 3.965 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000391738100 856086774 /nfs/dbraw/zinc/08/67/74/856086774.db2.gz ABRWDPBMOGPZSY-HNNXBMFYSA-N 2 1 397.357 3.965 20 0 GHADMP CSC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000542844595 856121430 /nfs/dbraw/zinc/12/14/30/856121430.db2.gz UGFVFROYEPJRMM-SFHVURJKSA-N 2 1 389.531 3.727 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@H]1c1cccs1 ZINC000905133597 856180625 /nfs/dbraw/zinc/18/06/25/856180625.db2.gz QMOGHMAFLHJBSW-KWCYVHTRSA-N 2 1 386.430 3.669 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@H]1c1cccs1 ZINC000905133597 856180634 /nfs/dbraw/zinc/18/06/34/856180634.db2.gz QMOGHMAFLHJBSW-KWCYVHTRSA-N 2 1 386.430 3.669 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000536484801 856219836 /nfs/dbraw/zinc/21/98/36/856219836.db2.gz GMNJVSLXXRZWEY-NRFANRHFSA-N 2 1 391.559 3.852 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000429228785 856308191 /nfs/dbraw/zinc/30/81/91/856308191.db2.gz FPCIXENJSXNPNC-SFHVURJKSA-N 2 1 392.906 3.756 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000429228785 856308199 /nfs/dbraw/zinc/30/81/99/856308199.db2.gz FPCIXENJSXNPNC-SFHVURJKSA-N 2 1 392.906 3.756 20 0 GHADMP CN(Cc1ccco1)Cc1ccccc1CNCc1nc(Br)c[nH]1 ZINC000921775016 856366862 /nfs/dbraw/zinc/36/68/62/856366862.db2.gz PETCQKVKYDRXBG-UHFFFAOYSA-N 2 1 389.297 3.687 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000520765449 856384440 /nfs/dbraw/zinc/38/44/40/856384440.db2.gz XUUAKQMTJGKZPF-QGZVFWFLSA-N 2 1 378.520 3.986 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)N3CCCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009209 856392297 /nfs/dbraw/zinc/39/22/97/856392297.db2.gz HLVVQOBGGOSBJU-JHDGKUDLSA-N 2 1 398.595 3.698 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000485435301 856518018 /nfs/dbraw/zinc/51/80/18/856518018.db2.gz GWGOCGNVNJNNFB-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000485435301 856518058 /nfs/dbraw/zinc/51/80/58/856518058.db2.gz GWGOCGNVNJNNFB-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000485435301 856518101 /nfs/dbraw/zinc/51/81/01/856518101.db2.gz GWGOCGNVNJNNFB-NRFANRHFSA-N 2 1 395.547 3.868 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2c(=O)[nH]c3ccccc32)cc1 ZINC000542885252 856648673 /nfs/dbraw/zinc/64/86/73/856648673.db2.gz YEFGLQGYXABZQV-MRXNPFEDSA-N 2 1 375.476 3.977 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000110740132 856650626 /nfs/dbraw/zinc/65/06/26/856650626.db2.gz UZDKLJMOSQCZQE-GMAHTHKFSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000110740132 856650629 /nfs/dbraw/zinc/65/06/29/856650629.db2.gz UZDKLJMOSQCZQE-GMAHTHKFSA-N 2 1 395.547 3.641 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000110795813 856668490 /nfs/dbraw/zinc/66/84/90/856668490.db2.gz XGUXUCDJPGDGJN-UHFFFAOYSA-N 2 1 383.511 3.998 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2)C1 ZINC000658135859 856767251 /nfs/dbraw/zinc/76/72/51/856767251.db2.gz FPTZHUWFLPVTLZ-GMKZXUHWSA-N 2 1 380.532 3.511 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000508047670 856851024 /nfs/dbraw/zinc/85/10/24/856851024.db2.gz AYQXPFPZPYCLGI-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000482258205 862847989 /nfs/dbraw/zinc/84/79/89/862847989.db2.gz PYTNENRMQVCDOR-PTLVVNQVSA-N 2 1 379.548 3.774 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)c1 ZINC000482258205 862848004 /nfs/dbraw/zinc/84/80/04/862848004.db2.gz PYTNENRMQVCDOR-PTLVVNQVSA-N 2 1 379.548 3.774 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000063463432 856968739 /nfs/dbraw/zinc/96/87/39/856968739.db2.gz SCHACLSBQZGBNR-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185683 862871911 /nfs/dbraw/zinc/87/19/11/862871911.db2.gz MYIWBBCKZJHUCG-LPHOPBHVSA-N 2 1 385.474 3.546 20 0 GHADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185683 862871929 /nfs/dbraw/zinc/87/19/29/862871929.db2.gz MYIWBBCKZJHUCG-LPHOPBHVSA-N 2 1 385.474 3.546 20 0 GHADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605185683 862871948 /nfs/dbraw/zinc/87/19/48/862871948.db2.gz MYIWBBCKZJHUCG-LPHOPBHVSA-N 2 1 385.474 3.546 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C1CCCCC1 ZINC000592955323 857153827 /nfs/dbraw/zinc/15/38/27/857153827.db2.gz LULVNKHYCRRPCT-KRWDZBQOSA-N 2 1 395.551 3.736 20 0 GHADMP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000173879478 857173852 /nfs/dbraw/zinc/17/38/52/857173852.db2.gz HVOOHCVDZUXMCY-QRVBRYPASA-N 2 1 398.551 3.927 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000520878522 857340336 /nfs/dbraw/zinc/34/03/36/857340336.db2.gz FMEGJTVMTYEKAH-SFTDATJTSA-N 2 1 398.551 3.626 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1Br ZINC000520881180 857344143 /nfs/dbraw/zinc/34/41/43/857344143.db2.gz FJASEGYVWNZGTF-AWEZNQCLSA-N 2 1 378.314 3.635 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012430 857359531 /nfs/dbraw/zinc/35/95/31/857359531.db2.gz ZVTWAKHABNDPBX-WNXIRNOKSA-N 2 1 391.559 3.819 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059291460 857391804 /nfs/dbraw/zinc/39/18/04/857391804.db2.gz BOCGERLFIMVEAV-UHFFFAOYSA-N 2 1 394.563 3.556 20 0 GHADMP CC(C)O[C@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000428238882 857396570 /nfs/dbraw/zinc/39/65/70/857396570.db2.gz FSOXWVICXLGUJB-RUZDIDTESA-N 2 1 395.591 3.902 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000574261348 857477629 /nfs/dbraw/zinc/47/76/29/857477629.db2.gz VHUQNSXBFXDLPO-ZRBLBEILSA-N 2 1 388.515 3.584 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000061553629 857529844 /nfs/dbraw/zinc/52/98/44/857529844.db2.gz BUVNVEHWNUTMEH-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000061793892 857543861 /nfs/dbraw/zinc/54/38/61/857543861.db2.gz AROXCJBLRBOGSZ-HSZRJFAPSA-N 2 1 394.563 3.775 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)C1 ZINC000442226849 857619086 /nfs/dbraw/zinc/61/90/86/857619086.db2.gz BPDKGXUYUHSDDO-UNMCSNQZSA-N 2 1 397.567 3.615 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000486363593 857676579 /nfs/dbraw/zinc/67/65/79/857676579.db2.gz ZVZUSZRSUXAQQF-FXAWDEMLSA-N 2 1 384.520 3.713 20 0 GHADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccccc3C[NH+](C)C)c2)C[C@H](C)O1 ZINC000486376096 857689503 /nfs/dbraw/zinc/68/95/03/857689503.db2.gz FDEHEGNDBSXGSL-ROUUACIJSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000486486002 857784786 /nfs/dbraw/zinc/78/47/86/857784786.db2.gz LJOFAIODLSHBKI-CQSZACIVSA-N 2 1 390.325 3.687 20 0 GHADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000486486002 857784798 /nfs/dbraw/zinc/78/47/98/857784798.db2.gz LJOFAIODLSHBKI-CQSZACIVSA-N 2 1 390.325 3.687 20 0 GHADMP Cc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000486500502 857799253 /nfs/dbraw/zinc/79/92/53/857799253.db2.gz ZNOXKAKJCSJMCA-OAHLLOKOSA-N 2 1 391.462 3.834 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccncc4)s3)c2)CCO1 ZINC000521291111 857830680 /nfs/dbraw/zinc/83/06/80/857830680.db2.gz MNPCPTAOHHUPRY-KRWDZBQOSA-N 2 1 394.544 3.716 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(-c4ccncc4)s3)c2)CCO1 ZINC000521291111 857830688 /nfs/dbraw/zinc/83/06/88/857830688.db2.gz MNPCPTAOHHUPRY-KRWDZBQOSA-N 2 1 394.544 3.716 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486547058 857833944 /nfs/dbraw/zinc/83/39/44/857833944.db2.gz HTHRCNRKQUZBIS-MJGOQNOKSA-N 2 1 384.520 3.713 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486547058 857833954 /nfs/dbraw/zinc/83/39/54/857833954.db2.gz HTHRCNRKQUZBIS-MJGOQNOKSA-N 2 1 384.520 3.713 20 0 GHADMP Cc1cc(C)cc(CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000676385538 857847370 /nfs/dbraw/zinc/84/73/70/857847370.db2.gz QWJHHTSHKBREGH-UHFFFAOYSA-N 2 1 399.623 3.891 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000594107509 857904804 /nfs/dbraw/zinc/90/48/04/857904804.db2.gz IYNOUAHRGJLLTQ-CEXWTWQISA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000594107509 857904818 /nfs/dbraw/zinc/90/48/18/857904818.db2.gz IYNOUAHRGJLLTQ-CEXWTWQISA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000594107509 857904826 /nfs/dbraw/zinc/90/48/26/857904826.db2.gz IYNOUAHRGJLLTQ-CEXWTWQISA-N 2 1 392.613 3.522 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000544349120 858065158 /nfs/dbraw/zinc/06/51/58/858065158.db2.gz YUSNRNUSOGIVJT-FQEVSTJZSA-N 2 1 376.460 3.684 20 0 GHADMP Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cs1 ZINC000665294356 858148978 /nfs/dbraw/zinc/14/89/78/858148978.db2.gz MXXXJJRYACEJLI-KRWDZBQOSA-N 2 1 388.924 3.738 20 0 GHADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000442864900 858183783 /nfs/dbraw/zinc/18/37/83/858183783.db2.gz DPFCCSCGXSUSLS-XUVXKRRUSA-N 2 1 387.474 3.726 20 0 GHADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000442864900 858183784 /nfs/dbraw/zinc/18/37/84/858183784.db2.gz DPFCCSCGXSUSLS-XUVXKRRUSA-N 2 1 387.474 3.726 20 0 GHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442872545 858189748 /nfs/dbraw/zinc/18/97/48/858189748.db2.gz JSEJKMXRPBUQHZ-HNNXBMFYSA-N 2 1 390.572 3.934 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)c1 ZINC000594644275 858238227 /nfs/dbraw/zinc/23/82/27/858238227.db2.gz CGXWCPBPMAMRMC-HSZRJFAPSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000594644275 858238238 /nfs/dbraw/zinc/23/82/38/858238238.db2.gz CGXWCPBPMAMRMC-HSZRJFAPSA-N 2 1 377.532 3.533 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000594644275 858238241 /nfs/dbraw/zinc/23/82/41/858238241.db2.gz CGXWCPBPMAMRMC-HSZRJFAPSA-N 2 1 377.532 3.533 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(Br)c1OC(F)F ZINC000442919429 858243960 /nfs/dbraw/zinc/24/39/60/858243960.db2.gz FGQQVLPSLSKYHC-NSHDSACASA-N 2 1 393.272 3.620 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000574828122 858308797 /nfs/dbraw/zinc/30/87/97/858308797.db2.gz JLDSVEHCNNOVLD-OXQOHEQNSA-N 2 1 375.532 3.730 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(C)c1C ZINC000595001577 858362465 /nfs/dbraw/zinc/36/24/65/858362465.db2.gz XEAGSJYJDQGUMO-HXUWFJFHSA-N 2 1 395.547 3.512 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469767755 858489382 /nfs/dbraw/zinc/48/93/82/858489382.db2.gz GCVDQNPSPDRLIV-HOCLYGCPSA-N 2 1 380.401 3.701 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469767755 858489386 /nfs/dbraw/zinc/48/93/86/858489386.db2.gz GCVDQNPSPDRLIV-HOCLYGCPSA-N 2 1 380.401 3.701 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000115794855 858669911 /nfs/dbraw/zinc/66/99/11/858669911.db2.gz FONGRYWCBHKAJD-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000115794855 858669915 /nfs/dbraw/zinc/66/99/15/858669915.db2.gz FONGRYWCBHKAJD-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000115794855 858669918 /nfs/dbraw/zinc/66/99/18/858669918.db2.gz FONGRYWCBHKAJD-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP COC1CC[NH+](C2(CN[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CCCC2)CC1 ZINC000482636018 858725046 /nfs/dbraw/zinc/72/50/46/858725046.db2.gz LCKLJDDRSMTCKL-URXFXBBRSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H](C)O1 ZINC000183454763 858750109 /nfs/dbraw/zinc/75/01/09/858750109.db2.gz QLQLAOWGOCIYOH-GASCZTMLSA-N 2 1 392.437 3.746 20 0 GHADMP C[C@@H](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000183564875 858773486 /nfs/dbraw/zinc/77/34/86/858773486.db2.gz DESFVVRKSJIAFG-SFHVURJKSA-N 2 1 390.597 3.621 20 0 GHADMP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(F)c1F ZINC000181949662 863062545 /nfs/dbraw/zinc/06/25/45/863062545.db2.gz BRYISPOOYVBZQL-INIZCTEOSA-N 2 1 387.474 3.528 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000183688026 858797867 /nfs/dbraw/zinc/79/78/67/858797867.db2.gz VAMIRRZMVOIROR-QZTJIDSGSA-N 2 1 376.504 3.845 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000482870275 858928757 /nfs/dbraw/zinc/92/87/57/858928757.db2.gz OPQQBGQHVBZZLQ-GOSISDBHSA-N 2 1 396.000 3.799 20 0 GHADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000532187407 881362352 /nfs/dbraw/zinc/36/23/52/881362352.db2.gz DJPPXPKACISRMF-HOCLYGCPSA-N 2 1 378.611 3.715 20 0 GHADMP C[N@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162187 858974955 /nfs/dbraw/zinc/97/49/55/858974955.db2.gz QORRXUQIPYMZMK-OAQYLSRUSA-N 2 1 398.526 3.613 20 0 GHADMP C[N@@H+](Cc1ccc(Oc2ccc(F)cc2)nc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162187 858974957 /nfs/dbraw/zinc/97/49/57/858974957.db2.gz QORRXUQIPYMZMK-OAQYLSRUSA-N 2 1 398.526 3.613 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cncc4ccccc43)C2)ccn1 ZINC000856552035 881371953 /nfs/dbraw/zinc/37/19/53/881371953.db2.gz FYMIYPVZIYRLFB-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cncc4ccccc43)C2)ccn1 ZINC000856552035 881371974 /nfs/dbraw/zinc/37/19/74/881371974.db2.gz FYMIYPVZIYRLFB-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cncc4ccccc43)C2)ccn1 ZINC000856552035 881371995 /nfs/dbraw/zinc/37/19/95/881371995.db2.gz FYMIYPVZIYRLFB-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)ccn1 ZINC000856553219 881382032 /nfs/dbraw/zinc/38/20/32/881382032.db2.gz KGRRDUIBNYWYCM-JOCHJYFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)ccn1 ZINC000856553219 881382058 /nfs/dbraw/zinc/38/20/58/881382058.db2.gz KGRRDUIBNYWYCM-JOCHJYFZSA-N 2 1 395.547 3.900 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)C2)ccn1 ZINC000856553219 881382093 /nfs/dbraw/zinc/38/20/93/881382093.db2.gz KGRRDUIBNYWYCM-JOCHJYFZSA-N 2 1 395.547 3.900 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659416 859113016 /nfs/dbraw/zinc/11/30/16/859113016.db2.gz AOCPSWOBPVIDIK-HZPDHXFCSA-N 2 1 395.950 3.680 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1c(F)cccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659416 859113017 /nfs/dbraw/zinc/11/30/17/859113017.db2.gz AOCPSWOBPVIDIK-HZPDHXFCSA-N 2 1 395.950 3.680 20 0 GHADMP COC(=O)c1ccc(OCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185667884 859114718 /nfs/dbraw/zinc/11/47/18/859114718.db2.gz KDZDJYAMYFPXPO-NVXWUHKLSA-N 2 1 394.943 3.748 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)COc1cccc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661992 859114977 /nfs/dbraw/zinc/11/49/77/859114977.db2.gz DVGNJSFGJHNDJV-VCOUNFBDSA-N 2 1 382.548 3.822 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185748265 859124913 /nfs/dbraw/zinc/12/49/13/859124913.db2.gz UAAUQJOHJBUFJI-ULQDDVLXSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185748265 859124923 /nfs/dbraw/zinc/12/49/23/859124923.db2.gz UAAUQJOHJBUFJI-ULQDDVLXSA-N 2 1 375.582 3.978 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000543281824 859125237 /nfs/dbraw/zinc/12/52/37/859125237.db2.gz TZICOAIUVBCPFF-WOJBJXKFSA-N 2 1 384.568 3.580 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000665363802 859134927 /nfs/dbraw/zinc/13/49/27/859134927.db2.gz CDPGGQACASAWPL-HLAWJBBLSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000665363802 859134930 /nfs/dbraw/zinc/13/49/30/859134930.db2.gz CDPGGQACASAWPL-HLAWJBBLSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000665363802 859134932 /nfs/dbraw/zinc/13/49/32/859134932.db2.gz CDPGGQACASAWPL-HLAWJBBLSA-N 2 1 386.584 3.554 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000543289762 859158353 /nfs/dbraw/zinc/15/83/53/859158353.db2.gz OYKSPQKFEMWASB-NHCUHLMSSA-N 2 1 398.595 3.970 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c2cccs2)CC1 ZINC000443653129 859188316 /nfs/dbraw/zinc/18/83/16/859188316.db2.gz LWAVHJJKNZBRNX-GBESFXJTSA-N 2 1 392.613 3.503 20 0 GHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000113557959 859211061 /nfs/dbraw/zinc/21/10/61/859211061.db2.gz PQCPHIGSEXPKKP-IBGZPJMESA-N 2 1 390.597 3.621 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000113557959 859211070 /nfs/dbraw/zinc/21/10/70/859211070.db2.gz PQCPHIGSEXPKKP-IBGZPJMESA-N 2 1 390.597 3.621 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@@H+](CC2CC2)C2CCC2)[NH+]2CCCCC2)cc1 ZINC000483297126 859277499 /nfs/dbraw/zinc/27/74/99/859277499.db2.gz RZUPOQOVJNBDOR-QHCPKHFHSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429414998 859313143 /nfs/dbraw/zinc/31/31/43/859313143.db2.gz ZWHGLKPGRUGHRE-NQHRYMMQSA-N 2 1 399.623 3.910 20 0 GHADMP CC(C)[NH+]1CCCN(Cc2cccc(CN3CCC[N@H+](C(C)C)CC3)c2)CC1 ZINC000487439843 859388955 /nfs/dbraw/zinc/38/89/55/859388955.db2.gz BBLODDRYWLISOT-UHFFFAOYSA-N 2 1 386.628 3.519 20 0 GHADMP CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC[NH2+]CC2)n1 ZINC000923527144 859394775 /nfs/dbraw/zinc/39/47/75/859394775.db2.gz LJBDMCXYMGBZMY-VSOVRNOCSA-N 2 1 391.625 3.731 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc(-c3ccccc3C)no2)CC1 ZINC000466738615 859415469 /nfs/dbraw/zinc/41/54/69/859415469.db2.gz YRKLCRVDANEAPZ-GOSISDBHSA-N 2 1 386.540 3.929 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@@H]1C ZINC000483522530 859433644 /nfs/dbraw/zinc/43/36/44/859433644.db2.gz ZIBRLDLROVRNEF-VQTJNVASSA-N 2 1 378.605 3.689 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000466744949 859457181 /nfs/dbraw/zinc/45/71/81/859457181.db2.gz TZLBGFJEHYSJGY-HNNXBMFYSA-N 2 1 378.542 3.682 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000466746971 859459813 /nfs/dbraw/zinc/45/98/13/859459813.db2.gz BZERTOPDLFVQGZ-HXUWFJFHSA-N 2 1 389.584 3.762 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)ccc1-n1cncn1 ZINC000509448364 859463833 /nfs/dbraw/zinc/46/38/33/859463833.db2.gz MXMTUQBGALVMFN-QHCPKHFHSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1-n1cncn1 ZINC000509448364 859463835 /nfs/dbraw/zinc/46/38/35/859463835.db2.gz MXMTUQBGALVMFN-QHCPKHFHSA-N 2 1 389.547 3.966 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001127781231 859516971 /nfs/dbraw/zinc/51/69/71/859516971.db2.gz NGYVJLCLKSWGCW-QHCPKHFHSA-N 2 1 393.575 3.925 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001127781231 859516976 /nfs/dbraw/zinc/51/69/76/859516976.db2.gz NGYVJLCLKSWGCW-QHCPKHFHSA-N 2 1 393.575 3.925 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001127781231 859516980 /nfs/dbraw/zinc/51/69/80/859516980.db2.gz NGYVJLCLKSWGCW-QHCPKHFHSA-N 2 1 393.575 3.925 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@H]1c1cccs1 ZINC000483717616 859557380 /nfs/dbraw/zinc/55/73/80/859557380.db2.gz YAEKGFGZUHZDRW-GCJKJVERSA-N 2 1 384.593 3.780 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@H]1c1cccs1 ZINC000483717616 859557385 /nfs/dbraw/zinc/55/73/85/859557385.db2.gz YAEKGFGZUHZDRW-GCJKJVERSA-N 2 1 384.593 3.780 20 0 GHADMP Cc1cccn2c(C[NH+]3CC[C@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)cnc12 ZINC000856559381 881438532 /nfs/dbraw/zinc/43/85/32/881438532.db2.gz GMGMRQVRADNGTE-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccn2c(C[N@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cnc12 ZINC000856559381 881438538 /nfs/dbraw/zinc/43/85/38/881438538.db2.gz GMGMRQVRADNGTE-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccn2c(C[N@@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cnc12 ZINC000856559381 881438546 /nfs/dbraw/zinc/43/85/46/881438546.db2.gz GMGMRQVRADNGTE-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C[C@@H]1C ZINC000483805006 859634555 /nfs/dbraw/zinc/63/45/55/859634555.db2.gz KZOWSXXZIGYZMU-JPLJXNOCSA-N 2 1 392.613 3.645 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C[C@@H]1C ZINC000483805006 859634557 /nfs/dbraw/zinc/63/45/57/859634557.db2.gz KZOWSXXZIGYZMU-JPLJXNOCSA-N 2 1 392.613 3.645 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@@H]1C ZINC000483805006 859634558 /nfs/dbraw/zinc/63/45/58/859634558.db2.gz KZOWSXXZIGYZMU-JPLJXNOCSA-N 2 1 392.613 3.645 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764959936 859709715 /nfs/dbraw/zinc/70/97/15/859709715.db2.gz BEPZEKWGCVWZBF-HOTGVXAUSA-N 2 1 388.524 3.988 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000484086403 859810072 /nfs/dbraw/zinc/81/00/72/859810072.db2.gz ZOMSOKAKSXDJEH-UHFFFAOYSA-N 2 1 384.568 3.751 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000673544173 859869988 /nfs/dbraw/zinc/86/99/88/859869988.db2.gz PZGAWTJSRCPYLY-WIYYLYMNSA-N 2 1 398.551 3.545 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)s2)cc1 ZINC000922389443 859874898 /nfs/dbraw/zinc/87/48/98/859874898.db2.gz VPVWOJLGENNEIN-XWSHUIEDSA-N 2 1 385.577 3.688 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389804 859881348 /nfs/dbraw/zinc/88/13/48/859881348.db2.gz KKIKUILBBYEKOO-UGESXGAOSA-N 2 1 385.577 3.688 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3nc(Cl)ccc3s1)C2 ZINC000922391174 859887527 /nfs/dbraw/zinc/88/75/27/859887527.db2.gz UIMAZIGZSXIIQL-LTDCPUDJSA-N 2 1 379.957 3.519 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000532216078 881473893 /nfs/dbraw/zinc/47/38/93/881473893.db2.gz WCHLTJBKFXAHAB-DEPWHIHDSA-N 2 1 394.003 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000532216079 881478622 /nfs/dbraw/zinc/47/86/22/881478622.db2.gz WCHLTJBKFXAHAB-DGQTTZFYSA-N 2 1 394.003 3.810 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000598032517 860012501 /nfs/dbraw/zinc/01/25/01/860012501.db2.gz IXTFZHRXSHXYID-WMZHIEFXSA-N 2 1 377.532 3.814 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000484499174 860047826 /nfs/dbraw/zinc/04/78/26/860047826.db2.gz LHDRSLBREBZCJX-QFUCXCTJSA-N 2 1 384.955 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000484499174 860047835 /nfs/dbraw/zinc/04/78/35/860047835.db2.gz LHDRSLBREBZCJX-QFUCXCTJSA-N 2 1 384.955 3.814 20 0 GHADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000474455932 860143722 /nfs/dbraw/zinc/14/37/22/860143722.db2.gz DASONASWFUAEKI-HOCLYGCPSA-N 2 1 398.332 3.686 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCc3c(F)cccc3F)C2)ccn1 ZINC000856583912 881535194 /nfs/dbraw/zinc/53/51/94/881535194.db2.gz SWIGLKPXONNHGI-LJQANCHMSA-N 2 1 389.490 3.897 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCc3c(F)cccc3F)C2)ccn1 ZINC000856583912 881535203 /nfs/dbraw/zinc/53/52/03/881535203.db2.gz SWIGLKPXONNHGI-LJQANCHMSA-N 2 1 389.490 3.897 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCc3c(F)cccc3F)C2)ccn1 ZINC000856583912 881535215 /nfs/dbraw/zinc/53/52/15/881535215.db2.gz SWIGLKPXONNHGI-LJQANCHMSA-N 2 1 389.490 3.897 20 0 GHADMP O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000025701077 860411782 /nfs/dbraw/zinc/41/17/82/860411782.db2.gz ORBFNXJPBDJZAV-HSZRJFAPSA-N 2 1 377.532 3.782 20 0 GHADMP C[C@H]1CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168037508 860422328 /nfs/dbraw/zinc/42/23/28/860422328.db2.gz ZAWZANKYFGXVNT-SFTDATJTSA-N 2 1 399.623 3.909 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(OC)c3Cl)C2)ccn1 ZINC000856583327 881538791 /nfs/dbraw/zinc/53/87/91/881538791.db2.gz FHTVNXRZDKPVCL-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(OC)c3Cl)C2)ccn1 ZINC000856583327 881538941 /nfs/dbraw/zinc/53/89/41/881538941.db2.gz FHTVNXRZDKPVCL-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(OC)c3Cl)C2)ccn1 ZINC000856583327 881539065 /nfs/dbraw/zinc/53/90/65/881539065.db2.gz FHTVNXRZDKPVCL-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1C(F)(F)F ZINC000484903712 860475666 /nfs/dbraw/zinc/47/56/66/860475666.db2.gz KIMQVECFDVDKGA-CYGHRXIMSA-N 2 1 386.458 3.610 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030899 860617884 /nfs/dbraw/zinc/61/78/84/860617884.db2.gz IJZDCUBYHLEPAV-UXHICEINSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030899 860617888 /nfs/dbraw/zinc/61/78/88/860617888.db2.gz IJZDCUBYHLEPAV-UXHICEINSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030899 860617892 /nfs/dbraw/zinc/61/78/92/860617892.db2.gz IJZDCUBYHLEPAV-UXHICEINSA-N 2 1 392.975 3.601 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856593311 881567203 /nfs/dbraw/zinc/56/72/03/881567203.db2.gz NYWVVOWGTBKLNA-STZQEDGTSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856593311 881567214 /nfs/dbraw/zinc/56/72/14/881567214.db2.gz NYWVVOWGTBKLNA-STZQEDGTSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856593311 881567222 /nfs/dbraw/zinc/56/72/22/881567222.db2.gz NYWVVOWGTBKLNA-STZQEDGTSA-N 2 1 375.557 3.582 20 0 GHADMP CO[C@H](C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606120 881583016 /nfs/dbraw/zinc/58/30/16/881583016.db2.gz IKEFLOYOWDDRPK-XZOQPEGZSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606120 881583027 /nfs/dbraw/zinc/58/30/27/881583027.db2.gz IKEFLOYOWDDRPK-XZOQPEGZSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@H](C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606120 881583042 /nfs/dbraw/zinc/58/30/42/881583042.db2.gz IKEFLOYOWDDRPK-XZOQPEGZSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@@H](C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606118 881583099 /nfs/dbraw/zinc/58/30/99/881583099.db2.gz IKEFLOYOWDDRPK-PKTZIBPZSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606118 881583113 /nfs/dbraw/zinc/58/31/13/881583113.db2.gz IKEFLOYOWDDRPK-PKTZIBPZSA-N 2 1 389.584 3.970 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)C1CCCCC1 ZINC000856606118 881583132 /nfs/dbraw/zinc/58/31/32/881583132.db2.gz IKEFLOYOWDDRPK-PKTZIBPZSA-N 2 1 389.584 3.970 20 0 GHADMP CCC[N@H+](CC(=O)OCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477215 881587881 /nfs/dbraw/zinc/58/78/81/881587881.db2.gz WCYAGJAZMIAPID-UHFFFAOYSA-N 2 1 396.535 3.518 20 0 GHADMP CCC[N@@H+](CC(=O)OCc1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477215 881587887 /nfs/dbraw/zinc/58/78/87/881587887.db2.gz WCYAGJAZMIAPID-UHFFFAOYSA-N 2 1 396.535 3.518 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000599264145 860994054 /nfs/dbraw/zinc/99/40/54/860994054.db2.gz LYYLFSIESXUJRR-UHFFFAOYSA-N 2 1 396.616 3.693 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000481312866 861045514 /nfs/dbraw/zinc/04/55/14/861045514.db2.gz RPVYMTBYHWVQHP-GHTZIAJQSA-N 2 1 375.557 3.630 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000481312866 861045527 /nfs/dbraw/zinc/04/55/27/861045527.db2.gz RPVYMTBYHWVQHP-GHTZIAJQSA-N 2 1 375.557 3.630 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000600124071 861058393 /nfs/dbraw/zinc/05/83/93/861058393.db2.gz OPMWOHWJVBHCPN-GOSISDBHSA-N 2 1 381.520 3.923 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000600124071 861058406 /nfs/dbraw/zinc/05/84/06/861058406.db2.gz OPMWOHWJVBHCPN-GOSISDBHSA-N 2 1 381.520 3.923 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000673648650 861087753 /nfs/dbraw/zinc/08/77/53/861087753.db2.gz HNNWNSKPTJWXOL-QHCPKHFHSA-N 2 1 388.515 3.852 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000673648650 861087767 /nfs/dbraw/zinc/08/77/67/861087767.db2.gz HNNWNSKPTJWXOL-QHCPKHFHSA-N 2 1 388.515 3.852 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1(C)C ZINC000623486016 861111669 /nfs/dbraw/zinc/11/16/69/861111669.db2.gz JGMBPLHLZQQJAB-ROUUACIJSA-N 2 1 397.485 3.659 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1(C)C ZINC000623486016 861111683 /nfs/dbraw/zinc/11/16/83/861111683.db2.gz JGMBPLHLZQQJAB-ROUUACIJSA-N 2 1 397.485 3.659 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000624255025 863325396 /nfs/dbraw/zinc/32/53/96/863325396.db2.gz CFKOWGVSXDGAQR-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624255025 863325402 /nfs/dbraw/zinc/32/54/02/863325402.db2.gz CFKOWGVSXDGAQR-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000624255025 863325413 /nfs/dbraw/zinc/32/54/13/863325413.db2.gz CFKOWGVSXDGAQR-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000183149112 863487167 /nfs/dbraw/zinc/48/71/67/863487167.db2.gz HFJPWIWHLZGDLW-ZIAGYGMSSA-N 2 1 383.521 3.932 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000499238076 881672418 /nfs/dbraw/zinc/67/24/18/881672418.db2.gz XIRYWDBAALJHJO-RBUKOAKNSA-N 2 1 380.536 3.875 20 0 GHADMP CCCN(C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000606704174 863769909 /nfs/dbraw/zinc/76/99/09/863769909.db2.gz QLGSVPVIUHWUAV-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000606704174 863769914 /nfs/dbraw/zinc/76/99/14/863769914.db2.gz QLGSVPVIUHWUAV-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000606704174 863769921 /nfs/dbraw/zinc/76/99/21/863769921.db2.gz QLGSVPVIUHWUAV-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)C2CCCCC2)cc1 ZINC000856733819 881700866 /nfs/dbraw/zinc/70/08/66/881700866.db2.gz IRQZVJADGKOEBD-INIZCTEOSA-N 2 1 375.538 3.579 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N(C)C)[C@H](C)C1 ZINC000480060634 863930114 /nfs/dbraw/zinc/93/01/14/863930114.db2.gz ATCOKABKFXQAFT-JRGCBEDISA-N 2 1 381.992 3.669 20 0 GHADMP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1Cl ZINC000607057841 864018278 /nfs/dbraw/zinc/01/82/78/864018278.db2.gz LUZLFPZMHPDZBC-KRWDZBQOSA-N 2 1 396.963 3.619 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3cccc(Cl)c3)c2C)CC1 ZINC000159053174 864019136 /nfs/dbraw/zinc/01/91/36/864019136.db2.gz BKRQIESMTKXOPS-INIZCTEOSA-N 2 1 390.959 3.986 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103510225 864044622 /nfs/dbraw/zinc/04/46/22/864044622.db2.gz GJIQODXYURJWSE-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP CCCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000621335003 864089946 /nfs/dbraw/zinc/08/99/46/864089946.db2.gz YUMIGKBYWYYVCI-LJQANCHMSA-N 2 1 385.577 3.688 20 0 GHADMP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475159751 864353602 /nfs/dbraw/zinc/35/36/02/864353602.db2.gz ZJHMGPJJFQVXDN-DEOSSOPVSA-N 2 1 395.591 3.907 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000621751519 864397952 /nfs/dbraw/zinc/39/79/52/864397952.db2.gz IGJFNTRQOGWJJO-JTHBVZDNSA-N 2 1 377.532 3.639 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(N4CCCC4=O)c3)CC2)[nH+]c1 ZINC000163498795 864525901 /nfs/dbraw/zinc/52/59/01/864525901.db2.gz JRKTVEHQTYXCGB-GOSISDBHSA-N 2 1 378.520 3.836 20 0 GHADMP COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ncc4n3CCCC4)C1)O[C@H](C)C2 ZINC000554558744 864548882 /nfs/dbraw/zinc/54/88/82/864548882.db2.gz SYQSKRHKJPLOSQ-IAGOWNOFSA-N 2 1 381.520 3.931 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000164203498 864599422 /nfs/dbraw/zinc/59/94/22/864599422.db2.gz LKJIDLBVCLDWRP-JZXOWHBKSA-N 2 1 375.582 3.744 20 0 GHADMP Cc1cc(OCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C(C)C ZINC000182564854 864688100 /nfs/dbraw/zinc/68/81/00/864688100.db2.gz OUEWSTYSIJIHNW-CBQGHPETSA-N 2 1 385.596 3.740 20 0 GHADMP C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182567893 864692212 /nfs/dbraw/zinc/69/22/12/864692212.db2.gz XXUZZBJAQILMKX-QUCCMNQESA-N 2 1 390.616 3.593 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000444340169 864866002 /nfs/dbraw/zinc/86/60/02/864866002.db2.gz HPQGBJAWYHINBV-QGZVFWFLSA-N 2 1 383.540 3.805 20 0 GHADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC000622325335 864924402 /nfs/dbraw/zinc/92/44/02/864924402.db2.gz WJKLCMZFLYTWEB-INIZCTEOSA-N 2 1 386.927 3.694 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000608145769 865057439 /nfs/dbraw/zinc/05/74/39/865057439.db2.gz FJZWKJHZDCHYOE-UDEWTMQYSA-N 2 1 399.579 3.685 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000608145769 865057456 /nfs/dbraw/zinc/05/74/56/865057456.db2.gz FJZWKJHZDCHYOE-UDEWTMQYSA-N 2 1 399.579 3.685 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000608145769 865057470 /nfs/dbraw/zinc/05/74/70/865057470.db2.gz FJZWKJHZDCHYOE-UDEWTMQYSA-N 2 1 399.579 3.685 20 0 GHADMP COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000554863054 865081087 /nfs/dbraw/zinc/08/10/87/865081087.db2.gz WKHYJRSRLBGTGZ-IEBWSBKVSA-N 2 1 384.520 3.800 20 0 GHADMP Brc1ccc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000301275655 865259667 /nfs/dbraw/zinc/25/96/67/865259667.db2.gz LWUAQYNBPWKCKE-AWEZNQCLSA-N 2 1 390.325 3.910 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000480776628 865277466 /nfs/dbraw/zinc/27/74/66/865277466.db2.gz CVYILCMUUJBMHF-DNQXCXABSA-N 2 1 379.548 3.651 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1C ZINC000301410992 865345302 /nfs/dbraw/zinc/34/53/02/865345302.db2.gz KAWWCJZOTHDGHP-YOEHRIQHSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2c1C ZINC000301410992 865345317 /nfs/dbraw/zinc/34/53/17/865345317.db2.gz KAWWCJZOTHDGHP-YOEHRIQHSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1C ZINC000301410992 865345333 /nfs/dbraw/zinc/34/53/33/865345333.db2.gz KAWWCJZOTHDGHP-YOEHRIQHSA-N 2 1 387.597 3.823 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CN2C(=S)N=NC2CCC2CCCC2)CC1 ZINC000738070829 865478143 /nfs/dbraw/zinc/47/81/43/865478143.db2.gz LHFDXRLJACCDOB-UHFFFAOYSA-N 2 1 379.618 3.701 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC([NH2+]C4CC4)CC3)c2c1C ZINC000301756849 865524349 /nfs/dbraw/zinc/52/43/49/865524349.db2.gz AEMAEWIFXPVNRI-UHFFFAOYSA-N 2 1 385.581 3.625 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(CNC[C@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000494543863 881886752 /nfs/dbraw/zinc/88/67/52/881886752.db2.gz CAIISCCLEWXTNV-MRXNPFEDSA-N 2 1 378.442 3.524 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cn2)cc1 ZINC000494543863 881886766 /nfs/dbraw/zinc/88/67/66/881886766.db2.gz CAIISCCLEWXTNV-MRXNPFEDSA-N 2 1 378.442 3.524 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000494543863 881886783 /nfs/dbraw/zinc/88/67/83/881886783.db2.gz CAIISCCLEWXTNV-MRXNPFEDSA-N 2 1 378.442 3.524 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000164604356 865706543 /nfs/dbraw/zinc/70/65/43/865706543.db2.gz WNKVFVOOTRXTPF-IBGZPJMESA-N 2 1 394.563 3.575 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000537634111 881897631 /nfs/dbraw/zinc/89/76/31/881897631.db2.gz YCSOCLDHFWVYPS-UHFFFAOYSA-N 2 1 385.596 3.869 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555213347 865729451 /nfs/dbraw/zinc/72/94/51/865729451.db2.gz WSUBFGVLMZBQHR-OAQYLSRUSA-N 2 1 388.600 3.660 20 0 GHADMP Cc1cccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000173974425 865862980 /nfs/dbraw/zinc/86/29/80/865862980.db2.gz ORDROCUKLYHWKU-IBGZPJMESA-N 2 1 381.520 3.507 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[N@H+](C)C3CCCCC3)c2)C[C@@H](C)O1 ZINC000555295644 865863243 /nfs/dbraw/zinc/86/32/43/865863243.db2.gz RKQGPNLJPIKIEL-RTBURBONSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)C[C@@H](C)O1 ZINC000555295644 865863256 /nfs/dbraw/zinc/86/32/56/865863256.db2.gz RKQGPNLJPIKIEL-RTBURBONSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@H](C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000494563500 881916172 /nfs/dbraw/zinc/91/61/72/881916172.db2.gz NQZNTGCJSYGSTD-OAQYLSRUSA-N 2 1 393.575 3.750 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCc4ccc(-c5ccccc5)cc43)cn2)CC1 ZINC000189575934 881923790 /nfs/dbraw/zinc/92/37/90/881923790.db2.gz FGIYWTNCTCYTMS-XMMPIXPASA-N 2 1 399.542 3.673 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481177728 865932936 /nfs/dbraw/zinc/93/29/36/865932936.db2.gz UQBNTHZAYFVNHB-OWJFNRGVSA-N 2 1 395.591 3.572 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000481177728 865932943 /nfs/dbraw/zinc/93/29/43/865932943.db2.gz UQBNTHZAYFVNHB-OWJFNRGVSA-N 2 1 395.591 3.572 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C(F)F)C3CCCCC3)CC2)CC1 ZINC000623045998 865967077 /nfs/dbraw/zinc/96/70/77/865967077.db2.gz GGHXMZYGSNQMLE-LJQANCHMSA-N 2 1 385.543 3.513 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000552784861 866222706 /nfs/dbraw/zinc/22/27/06/866222706.db2.gz FFORRKNXPFKNSO-UHFFFAOYSA-N 2 1 394.563 3.669 20 0 GHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)cs1 ZINC000456260421 866316680 /nfs/dbraw/zinc/31/66/80/866316680.db2.gz FOOFILRNLFPJMF-OAQYLSRUSA-N 2 1 398.576 3.851 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000428361135 866347019 /nfs/dbraw/zinc/34/70/19/866347019.db2.gz FRHWUQFDGFUJKP-IBGZPJMESA-N 2 1 398.595 3.592 20 0 GHADMP O=C(OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1ccc2c[nH+]cn2c1 ZINC000793144205 881969402 /nfs/dbraw/zinc/96/94/02/881969402.db2.gz WQAFRCOHJZIYCW-OAHLLOKOSA-N 2 1 385.414 3.682 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000665821148 866455581 /nfs/dbraw/zinc/45/55/81/866455581.db2.gz IFIQYSWEUPOQSC-FQEVSTJZSA-N 2 1 386.584 3.957 20 0 GHADMP CC[C@@H](C)[C@@H]([NH2+]CCn1cc[nH+]c1C)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000552969694 866541891 /nfs/dbraw/zinc/54/18/91/866541891.db2.gz VIGWJLOJTPTAGY-AUSIDOKSSA-N 2 1 396.579 3.677 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857076853 881991069 /nfs/dbraw/zinc/99/10/69/881991069.db2.gz YDJSLNVPCDTLRZ-RTWAWAEBSA-N 2 1 383.536 3.902 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000620310701 866652669 /nfs/dbraw/zinc/65/26/69/866652669.db2.gz PZVSFMBSBOZMLA-MQFRRQCYSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000620310701 866652675 /nfs/dbraw/zinc/65/26/75/866652675.db2.gz PZVSFMBSBOZMLA-MQFRRQCYSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000620310701 866652679 /nfs/dbraw/zinc/65/26/79/866652679.db2.gz PZVSFMBSBOZMLA-MQFRRQCYSA-N 2 1 383.580 3.762 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC4(CCCCC4)C3)CC2)CC1 ZINC000553092840 866759821 /nfs/dbraw/zinc/75/98/21/866759821.db2.gz QRQCWDRLYYPYAN-UHFFFAOYSA-N 2 1 375.601 3.756 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414122285 866785196 /nfs/dbraw/zinc/78/51/96/866785196.db2.gz NUTHVMOOUUEQQZ-GHTZIAJQSA-N 2 1 391.987 3.899 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000444569987 866896503 /nfs/dbraw/zinc/89/65/03/866896503.db2.gz GFURUXAJBMPZOT-FGTMMUONSA-N 2 1 383.540 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000444569987 866896528 /nfs/dbraw/zinc/89/65/28/866896528.db2.gz GFURUXAJBMPZOT-FGTMMUONSA-N 2 1 383.540 3.804 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1C ZINC000444584780 866928661 /nfs/dbraw/zinc/92/86/61/866928661.db2.gz VOKSXGWAPUDJTL-FIKGOQFSSA-N 2 1 383.540 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1C ZINC000444584780 866928671 /nfs/dbraw/zinc/92/86/71/866928671.db2.gz VOKSXGWAPUDJTL-FIKGOQFSSA-N 2 1 383.540 3.756 20 0 GHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444602227 866936437 /nfs/dbraw/zinc/93/64/37/866936437.db2.gz ZESOKBWRBYXNFI-XLIONFOSSA-N 2 1 383.540 3.805 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444602227 866936458 /nfs/dbraw/zinc/93/64/58/866936458.db2.gz ZESOKBWRBYXNFI-XLIONFOSSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000444599729 866962639 /nfs/dbraw/zinc/96/26/39/866962639.db2.gz XKRIIKNZLDTSIC-QZTJIDSGSA-N 2 1 383.540 3.661 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000523311734 867049579 /nfs/dbraw/zinc/04/95/79/867049579.db2.gz YDBLGZXDRLMEQJ-SFTDATJTSA-N 2 1 386.499 3.729 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000479042238 867058053 /nfs/dbraw/zinc/05/80/53/867058053.db2.gz OHUCEDOUTWGPSM-HKUYNNGSSA-N 2 1 392.613 3.552 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479072723 867129561 /nfs/dbraw/zinc/12/95/61/867129561.db2.gz WMKLJXJZDPHOIW-PKOBYXMFSA-N 2 1 381.358 3.653 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)[C@@H](C)C1 ZINC000479078557 867140470 /nfs/dbraw/zinc/14/04/70/867140470.db2.gz JLOYBJMQIMHWHW-VJBMBRPKSA-N 2 1 396.579 3.976 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)[C@@H](C)C1 ZINC000479078557 867140484 /nfs/dbraw/zinc/14/04/84/867140484.db2.gz JLOYBJMQIMHWHW-VJBMBRPKSA-N 2 1 396.579 3.976 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000154074161 867236544 /nfs/dbraw/zinc/23/65/44/867236544.db2.gz XVVVDCRYMCYJMO-GPMSIDNRSA-N 2 1 380.960 3.715 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000523615715 867657835 /nfs/dbraw/zinc/65/78/35/867657835.db2.gz MREUPLVCWOBGOC-SFHVURJKSA-N 2 1 390.572 3.649 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857258050 882149319 /nfs/dbraw/zinc/14/93/19/882149319.db2.gz KCCDZXKGNSVYGA-NRFANRHFSA-N 2 1 383.536 3.683 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857258050 882149330 /nfs/dbraw/zinc/14/93/30/882149330.db2.gz KCCDZXKGNSVYGA-NRFANRHFSA-N 2 1 383.536 3.683 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857258050 882149335 /nfs/dbraw/zinc/14/93/35/882149335.db2.gz KCCDZXKGNSVYGA-NRFANRHFSA-N 2 1 383.536 3.683 20 0 GHADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000479581575 868126353 /nfs/dbraw/zinc/12/63/53/868126353.db2.gz JORHSNDIFRMRAX-FXAWDEMLSA-N 2 1 386.584 3.682 20 0 GHADMP C[C@H](CC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1 ZINC000156211817 868289000 /nfs/dbraw/zinc/28/90/00/868289000.db2.gz DXRSASRGEUIJPF-QZTJIDSGSA-N 2 1 389.565 3.619 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H](C)C1 ZINC000479877803 868645289 /nfs/dbraw/zinc/64/52/89/868645289.db2.gz XUTIKIIZCXSCDM-HSALFYBXSA-N 2 1 379.614 3.612 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000479877803 868645290 /nfs/dbraw/zinc/64/52/90/868645290.db2.gz XUTIKIIZCXSCDM-HSALFYBXSA-N 2 1 379.614 3.612 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@H](C)C1 ZINC000479877803 868645293 /nfs/dbraw/zinc/64/52/93/868645293.db2.gz XUTIKIIZCXSCDM-HSALFYBXSA-N 2 1 379.614 3.612 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000157532846 868679546 /nfs/dbraw/zinc/67/95/46/868679546.db2.gz TYQZKFVPNLBMCA-OALUTQOASA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000157532846 868679558 /nfs/dbraw/zinc/67/95/58/868679558.db2.gz TYQZKFVPNLBMCA-OALUTQOASA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000457780242 868767655 /nfs/dbraw/zinc/76/76/55/868767655.db2.gz AZJFSGRZWQSLEQ-ZJVRTDGDSA-N 2 1 386.927 3.575 20 0 GHADMP Cc1[nH+]ccn1CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000457780242 868767663 /nfs/dbraw/zinc/76/76/63/868767663.db2.gz AZJFSGRZWQSLEQ-ZJVRTDGDSA-N 2 1 386.927 3.575 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3CCO)CC1 ZINC000648434158 882231298 /nfs/dbraw/zinc/23/12/98/882231298.db2.gz SDVXBWBYWIZVJT-IBGZPJMESA-N 2 1 376.589 3.522 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459449401 869120326 /nfs/dbraw/zinc/12/03/26/869120326.db2.gz YZTLVZIWWOUUSQ-MOPGFXCFSA-N 2 1 378.923 3.959 20 0 GHADMP CCC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000539437070 869122586 /nfs/dbraw/zinc/12/25/86/869122586.db2.gz XJXPRNKRUDMREX-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000491274422 869542555 /nfs/dbraw/zinc/54/25/55/869542555.db2.gz ZMVNTOTZRWPSDP-HKUYNNGSSA-N 2 1 380.536 3.895 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000491274422 869542567 /nfs/dbraw/zinc/54/25/67/869542567.db2.gz ZMVNTOTZRWPSDP-HKUYNNGSSA-N 2 1 380.536 3.895 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000539660501 869548306 /nfs/dbraw/zinc/54/83/06/869548306.db2.gz MLSPDJFURXTRIG-OIBXWCBGSA-N 2 1 393.579 3.544 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000446263170 869647002 /nfs/dbraw/zinc/64/70/02/869647002.db2.gz ULVHAYPYCXSDHV-SELNLUPBSA-N 2 1 396.535 3.526 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000446569446 870018855 /nfs/dbraw/zinc/01/88/55/870018855.db2.gz OBNXHONQEWYPHE-NRFANRHFSA-N 2 1 380.536 3.577 20 0 GHADMP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000462773912 870071851 /nfs/dbraw/zinc/07/18/51/870071851.db2.gz BQSBXNZRKOLLFZ-XLIONFOSSA-N 2 1 383.536 3.510 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000462871389 870227213 /nfs/dbraw/zinc/22/72/13/870227213.db2.gz PAOOZSYAWBPZMB-FOVJLYNBSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)C[NH+](Cc2ccccc2)C1 ZINC000462871389 870227223 /nfs/dbraw/zinc/22/72/23/870227223.db2.gz PAOOZSYAWBPZMB-FOVJLYNBSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@@H]1C[C@@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)C[NH+](Cc2ccccc2)C1 ZINC000462871389 870227228 /nfs/dbraw/zinc/22/72/28/870227228.db2.gz PAOOZSYAWBPZMB-FOVJLYNBSA-N 2 1 379.548 3.576 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1)CC1CC1 ZINC000540050496 870307348 /nfs/dbraw/zinc/30/73/48/870307348.db2.gz UGHMNZLKSFBQEG-UHFFFAOYSA-N 2 1 384.568 3.966 20 0 GHADMP C[C@H](C1CC1)N(C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000248388960 870356407 /nfs/dbraw/zinc/35/64/07/870356407.db2.gz AFFBNNFPDDCNGC-GUDVDZBRSA-N 2 1 383.580 3.522 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248392871 870363611 /nfs/dbraw/zinc/36/36/11/870363611.db2.gz DKXMGSYVPHYRFY-XRXFAXGQSA-N 2 1 395.513 3.761 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000248395693 870367143 /nfs/dbraw/zinc/36/71/43/870367143.db2.gz GOZVEDZKEIETSS-MLCQCVOFSA-N 2 1 376.548 3.551 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000122038174 882401983 /nfs/dbraw/zinc/40/19/83/882401983.db2.gz RAIAPTUSZKTQGO-LJQANCHMSA-N 2 1 397.567 3.887 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC2)n1 ZINC000248407529 870384373 /nfs/dbraw/zinc/38/43/73/870384373.db2.gz DFKMDWMYLQRBLU-GMKZXUHWSA-N 2 1 390.575 3.859 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CC2)[nH+]1 ZINC000248407529 870384390 /nfs/dbraw/zinc/38/43/90/870384390.db2.gz DFKMDWMYLQRBLU-GMKZXUHWSA-N 3 1 390.575 3.859 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC2)[nH+]1 ZINC000248407529 870384401 /nfs/dbraw/zinc/38/44/01/870384401.db2.gz DFKMDWMYLQRBLU-GMKZXUHWSA-N 3 1 390.575 3.859 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-n2ccnc2)cc1 ZINC000248460414 870439103 /nfs/dbraw/zinc/43/91/03/870439103.db2.gz WMONDHSPMMAEEE-CYFREDJKSA-N 2 1 390.531 3.680 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000248538525 870479348 /nfs/dbraw/zinc/47/93/48/870479348.db2.gz ALVDCDRUGMKEKS-VXNCWWDNSA-N 2 1 375.532 3.634 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000248538525 870479362 /nfs/dbraw/zinc/47/93/62/870479362.db2.gz ALVDCDRUGMKEKS-VXNCWWDNSA-N 2 1 375.532 3.634 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248598544 870525409 /nfs/dbraw/zinc/52/54/09/870525409.db2.gz UJEPUHBBCSXACN-NHTRMHBPSA-N 2 1 386.580 3.684 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540160559 870624336 /nfs/dbraw/zinc/62/43/36/870624336.db2.gz NZFIOFIDCDKCCC-CEXWTWQISA-N 2 1 397.332 3.543 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000540160562 870624411 /nfs/dbraw/zinc/62/44/11/870624411.db2.gz NZFIOFIDCDKCCC-GUDVDZBRSA-N 2 1 397.332 3.543 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCc2ccccc2)c1 ZINC000538798108 870628810 /nfs/dbraw/zinc/62/88/10/870628810.db2.gz OAKSCAODPXXBLG-GMKZXUHWSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCc2ccccc2)c1 ZINC000538798108 870628817 /nfs/dbraw/zinc/62/88/17/870628817.db2.gz OAKSCAODPXXBLG-GMKZXUHWSA-N 2 1 380.532 3.949 20 0 GHADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C(C)C ZINC000766384627 870672061 /nfs/dbraw/zinc/67/20/61/870672061.db2.gz PROAREGBJCYSTA-OAHLLOKOSA-N 2 1 376.513 3.842 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001170438307 882438194 /nfs/dbraw/zinc/43/81/94/882438194.db2.gz RDBJRJRZSYAXMR-GBESFXJTSA-N 2 1 384.545 3.862 20 0 GHADMP Cc1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)sc2nc(C)nc(C)c12 ZINC000030545849 870744493 /nfs/dbraw/zinc/74/44/93/870744493.db2.gz XCEKXKKHUPKMDM-UHFFFAOYSA-N 2 1 396.560 3.739 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2sc(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000249275495 870799862 /nfs/dbraw/zinc/79/98/62/870799862.db2.gz JWJOSQGBKBATLA-GXTWGEPZSA-N 2 1 379.492 3.697 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sc(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000249275495 870799871 /nfs/dbraw/zinc/79/98/71/870799871.db2.gz JWJOSQGBKBATLA-GXTWGEPZSA-N 2 1 379.492 3.697 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)C1 ZINC000249339595 870810333 /nfs/dbraw/zinc/81/03/33/870810333.db2.gz DGLGXMSRQHRSCZ-WTNAPCKOSA-N 2 1 387.543 3.559 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2C)CC1 ZINC000122215667 882445484 /nfs/dbraw/zinc/44/54/84/882445484.db2.gz JBVAHMRTOCKOHH-HXUWFJFHSA-N 2 1 389.584 3.701 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000249402308 870822821 /nfs/dbraw/zinc/82/28/21/870822821.db2.gz CJGSNHRKWCYREQ-LMMKCTJWSA-N 2 1 395.975 3.702 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000249402308 870822835 /nfs/dbraw/zinc/82/28/35/870822835.db2.gz CJGSNHRKWCYREQ-LMMKCTJWSA-N 2 1 395.975 3.702 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1 ZINC001168826197 870880438 /nfs/dbraw/zinc/88/04/38/870880438.db2.gz PHBCREDERIBAJV-LJQANCHMSA-N 2 1 396.453 3.639 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168835614 870892047 /nfs/dbraw/zinc/89/20/47/870892047.db2.gz UMJPFLPMDFRTTE-YJBOKZPZSA-N 2 1 393.959 3.988 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168837991 870896486 /nfs/dbraw/zinc/89/64/86/870896486.db2.gz FFJZWYVVXSMYCV-LFGUQSLTSA-N 2 1 388.556 3.551 20 0 GHADMP C[C@H]1C[C@H](NCc2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463115043 870916942 /nfs/dbraw/zinc/91/69/42/870916942.db2.gz WFEXLXQUWGUXOB-NZQKXSOJSA-N 2 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000463115043 870916952 /nfs/dbraw/zinc/91/69/52/870916952.db2.gz WFEXLXQUWGUXOB-NZQKXSOJSA-N 2 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463115043 870916961 /nfs/dbraw/zinc/91/69/61/870916961.db2.gz WFEXLXQUWGUXOB-NZQKXSOJSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463115043 870916968 /nfs/dbraw/zinc/91/69/68/870916968.db2.gz WFEXLXQUWGUXOB-NZQKXSOJSA-N 3 1 381.564 3.770 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463100186 870923671 /nfs/dbraw/zinc/92/36/71/870923671.db2.gz WQUHOHNQZSEGDF-HNNXBMFYSA-N 2 1 396.329 3.523 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463100186 870923680 /nfs/dbraw/zinc/92/36/80/870923680.db2.gz WQUHOHNQZSEGDF-HNNXBMFYSA-N 2 1 396.329 3.523 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1(C)C ZINC001193208614 870944342 /nfs/dbraw/zinc/94/43/42/870944342.db2.gz CDQSXFANHXYVDO-XLIONFOSSA-N 2 1 391.987 3.961 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1(C)C ZINC001193208614 870944347 /nfs/dbraw/zinc/94/43/47/870944347.db2.gz CDQSXFANHXYVDO-XLIONFOSSA-N 2 1 391.987 3.961 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1)CC1CC1 ZINC000538949175 870959706 /nfs/dbraw/zinc/95/97/06/870959706.db2.gz LTGBSZUCDJSLLU-UHFFFAOYSA-N 2 1 391.987 3.790 20 0 GHADMP C[C@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000463191691 871097275 /nfs/dbraw/zinc/09/72/75/871097275.db2.gz NKXBCQQAHLWYCQ-OFVILXPXSA-N 2 1 377.576 3.946 20 0 GHADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000463206905 871137679 /nfs/dbraw/zinc/13/76/79/871137679.db2.gz QRTHEVQTYFGMNT-YKSBVNFPSA-N 2 1 377.576 3.728 20 0 GHADMP CC(C)C[C@H](Cc1ccccc1)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001169070329 871156688 /nfs/dbraw/zinc/15/66/88/871156688.db2.gz NKXDITYXFGPYIR-YADHBBJMSA-N 2 1 396.579 3.795 20 0 GHADMP CC(C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001169070232 871157035 /nfs/dbraw/zinc/15/70/35/871157035.db2.gz OZFQFQGCARWUBU-AQNXPRMDSA-N 2 1 375.557 3.570 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC3(CCC(=O)N3Cc3cccc(F)c3)CC1)C2 ZINC001169096460 871170350 /nfs/dbraw/zinc/17/03/50/871170350.db2.gz XBEFGRRANAELHP-DNZXKKCJSA-N 2 1 399.554 3.844 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1)C2 ZINC001169092231 871202455 /nfs/dbraw/zinc/20/24/55/871202455.db2.gz AHVLJAODRTUTRZ-XNTOXWQXSA-N 2 1 385.552 3.952 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccc(Br)cc3)CCOCC1)C2 ZINC001169117378 871206293 /nfs/dbraw/zinc/20/62/93/871206293.db2.gz ZOZOIKLMEWOSHC-REPLKXPHSA-N 2 1 393.369 3.712 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120228 871211062 /nfs/dbraw/zinc/21/10/62/871211062.db2.gz ZUGIAVBGXNQNEO-KHUIQGCPSA-N 2 1 380.532 3.688 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000539064310 871213741 /nfs/dbraw/zinc/21/37/41/871213741.db2.gz GLAYGYUOZDBWFK-INIZCTEOSA-N 2 1 381.476 3.928 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc3ccccc3n2C(F)F)[C@@H](C)C1 ZINC000539086349 871236165 /nfs/dbraw/zinc/23/61/65/871236165.db2.gz JPIBFWZHTBREGY-DLBZAZTESA-N 2 1 394.510 3.701 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000539065925 871239900 /nfs/dbraw/zinc/23/99/00/871239900.db2.gz DWNCHEZGTNYSFA-KNQAVFIVSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000539065925 871239918 /nfs/dbraw/zinc/23/99/18/871239918.db2.gz DWNCHEZGTNYSFA-KNQAVFIVSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001193807416 871318597 /nfs/dbraw/zinc/31/85/97/871318597.db2.gz KPQFLJVDOORGPN-TZIWHRDSSA-N 2 1 385.596 3.914 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000252591433 871332903 /nfs/dbraw/zinc/33/29/03/871332903.db2.gz BGQGRJSFBFHZFU-RTBURBONSA-N 2 1 389.588 3.768 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000252591433 871332920 /nfs/dbraw/zinc/33/29/20/871332920.db2.gz BGQGRJSFBFHZFU-RTBURBONSA-N 2 1 389.588 3.768 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000252591433 871332939 /nfs/dbraw/zinc/33/29/39/871332939.db2.gz BGQGRJSFBFHZFU-RTBURBONSA-N 2 1 389.588 3.768 20 0 GHADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC001169239281 871337417 /nfs/dbraw/zinc/33/74/17/871337417.db2.gz WZGXQNJXBRPLAX-UHFFFAOYSA-N 2 1 387.465 3.883 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000174782253 882502524 /nfs/dbraw/zinc/50/25/24/882502524.db2.gz QYLKYPPWTPYITE-SEJPIABJSA-N 2 1 380.536 3.708 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000174782253 882502530 /nfs/dbraw/zinc/50/25/30/882502530.db2.gz QYLKYPPWTPYITE-SEJPIABJSA-N 2 1 380.536 3.708 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000447303966 871387933 /nfs/dbraw/zinc/38/79/33/871387933.db2.gz HGKBARDPPPCVHH-XMMPIXPASA-N 2 1 392.547 3.707 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000447303966 871387952 /nfs/dbraw/zinc/38/79/52/871387952.db2.gz HGKBARDPPPCVHH-XMMPIXPASA-N 2 1 392.547 3.707 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000447303966 871387970 /nfs/dbraw/zinc/38/79/70/871387970.db2.gz HGKBARDPPPCVHH-XMMPIXPASA-N 2 1 392.547 3.707 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492351 871411559 /nfs/dbraw/zinc/41/15/59/871411559.db2.gz IVPVZJJOHYWRMQ-IFMALSPDSA-N 2 1 385.596 3.932 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492351 871411564 /nfs/dbraw/zinc/41/15/64/871411564.db2.gz IVPVZJJOHYWRMQ-IFMALSPDSA-N 3 1 385.596 3.932 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492351 871411573 /nfs/dbraw/zinc/41/15/73/871411573.db2.gz IVPVZJJOHYWRMQ-IFMALSPDSA-N 3 1 385.596 3.932 20 0 GHADMP CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001194116549 871485810 /nfs/dbraw/zinc/48/58/10/871485810.db2.gz RXPHUFUNLYMXHS-RPWUZVMVSA-N 2 1 393.575 3.848 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]Cc4cccc(N5CCOCC5)c4)[C@H]3C2)cc1 ZINC000550857478 882519190 /nfs/dbraw/zinc/51/91/90/882519190.db2.gz UHOMKROZFHAHEN-ZKMPZPQNSA-N 2 1 391.559 3.523 20 0 GHADMP CN(CC[N@@H+](C)[C@H]1CCCc2ccc(Br)cc21)C1CC[NH+](C)CC1 ZINC000539237448 871573605 /nfs/dbraw/zinc/57/36/05/871573605.db2.gz KAYJGOHQQVMDFV-FQEVSTJZSA-N 2 1 394.401 3.784 20 0 GHADMP [NH3+][C@@H]1CCc2c1cccc2N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169524868 871603375 /nfs/dbraw/zinc/60/33/75/871603375.db2.gz ZTHFGXOGYAFCSJ-UCNVEGJOSA-N 2 1 379.504 3.504 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000539307130 871698955 /nfs/dbraw/zinc/69/89/55/871698955.db2.gz QJYMKZKWYFRGKY-JRGCBEDISA-N 2 1 378.582 3.506 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000312143182 871828798 /nfs/dbraw/zinc/82/87/98/871828798.db2.gz SETLZXRKEWUVAA-WCIQWLHISA-N 2 1 379.589 3.876 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(I)c(Cl)c1 ZINC001169761681 871848523 /nfs/dbraw/zinc/84/85/23/871848523.db2.gz MJVQQIKZUXUQBB-UHFFFAOYSA-N 2 1 392.712 3.862 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(I)c(Cl)c1 ZINC001169761681 871848540 /nfs/dbraw/zinc/84/85/40/871848540.db2.gz MJVQQIKZUXUQBB-UHFFFAOYSA-N 2 1 392.712 3.862 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821428 871849457 /nfs/dbraw/zinc/84/94/57/871849457.db2.gz XCBPVSNURWXLTQ-HSALFYBXSA-N 2 1 386.584 3.798 20 0 GHADMP COC(=O)c1ccccc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000552060399 871958302 /nfs/dbraw/zinc/95/83/02/871958302.db2.gz SFCUNJUBHDKBIR-UHFFFAOYSA-N 2 1 378.516 3.961 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000477945395 872221865 /nfs/dbraw/zinc/22/18/65/872221865.db2.gz CXFZLEFXONQFGD-UHFFFAOYSA-N 2 1 391.559 3.924 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000552228761 872253597 /nfs/dbraw/zinc/25/35/97/872253597.db2.gz VGSWMWUOJGEYOH-STTLMXHVSA-N 2 1 385.596 3.663 20 0 GHADMP Cc1nc(-c2cccs2)sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000619176669 872394168 /nfs/dbraw/zinc/39/41/68/872394168.db2.gz BTBHGWRYKAGCPX-UHFFFAOYSA-N 2 1 399.545 3.579 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093844585 872450808 /nfs/dbraw/zinc/45/08/08/872450808.db2.gz ZUPASEATSVYEFW-IBGZPJMESA-N 2 1 381.568 3.959 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2)cc1 ZINC000552357694 872549879 /nfs/dbraw/zinc/54/98/79/872549879.db2.gz NAUWDHHIHUNCKO-DEOSSOPVSA-N 2 1 393.531 3.865 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)c2)cc1 ZINC000552357694 872549887 /nfs/dbraw/zinc/54/98/87/872549887.db2.gz NAUWDHHIHUNCKO-DEOSSOPVSA-N 2 1 393.531 3.865 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)c2)cc1 ZINC000552357694 872549894 /nfs/dbraw/zinc/54/98/94/872549894.db2.gz NAUWDHHIHUNCKO-DEOSSOPVSA-N 2 1 393.531 3.865 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2)cc1 ZINC000552357694 872549904 /nfs/dbraw/zinc/54/99/04/872549904.db2.gz NAUWDHHIHUNCKO-DEOSSOPVSA-N 2 1 393.531 3.865 20 0 GHADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000540973776 872625711 /nfs/dbraw/zinc/62/57/11/872625711.db2.gz DJSVAUZRGUKVFQ-PMVMPFDFSA-N 2 1 381.564 3.530 20 0 GHADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000540973774 872625953 /nfs/dbraw/zinc/62/59/53/872625953.db2.gz DJSVAUZRGUKVFQ-ACIOBRDBSA-N 2 1 381.564 3.530 20 0 GHADMP C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000540965810 872645236 /nfs/dbraw/zinc/64/52/36/872645236.db2.gz YXCZZDQSFXHDBG-IEBWSBKVSA-N 2 1 378.520 3.630 20 0 GHADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000540982873 872667650 /nfs/dbraw/zinc/66/76/50/872667650.db2.gz MJTHGSCIORUQPD-UNMCSNQZSA-N 2 1 389.971 3.999 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000552580737 872850893 /nfs/dbraw/zinc/85/08/93/872850893.db2.gz ASPVBXSXELOERI-AZUAARDMSA-N 2 1 383.536 3.758 20 0 GHADMP COc1cc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1 ZINC000552580737 872850901 /nfs/dbraw/zinc/85/09/01/872850901.db2.gz ASPVBXSXELOERI-AZUAARDMSA-N 2 1 383.536 3.758 20 0 GHADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000768104189 873082832 /nfs/dbraw/zinc/08/28/32/873082832.db2.gz XAKXHTBKCWFAJA-LADGPHEKSA-N 2 1 380.532 3.689 20 0 GHADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000768104189 873082853 /nfs/dbraw/zinc/08/28/53/873082853.db2.gz XAKXHTBKCWFAJA-LADGPHEKSA-N 2 1 380.532 3.689 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001196683484 873283986 /nfs/dbraw/zinc/28/39/86/873283986.db2.gz FIEIMNOMIWRNMD-UHFFFAOYSA-N 2 1 379.932 3.628 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000527660171 873411138 /nfs/dbraw/zinc/41/11/38/873411138.db2.gz DCYPVMZJIYGBKZ-HNAYVOBHSA-N 2 1 388.474 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000527660171 873411148 /nfs/dbraw/zinc/41/11/48/873411148.db2.gz DCYPVMZJIYGBKZ-HNAYVOBHSA-N 2 1 388.474 3.941 20 0 GHADMP COc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)ccc1OCc1c(C)noc1C ZINC000527809094 873594629 /nfs/dbraw/zinc/59/46/29/873594629.db2.gz SKWJLPLWHQWOHC-HXUWFJFHSA-N 2 1 399.535 3.986 20 0 GHADMP COc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)ccc1OCc1c(C)noc1C ZINC000527809094 873594638 /nfs/dbraw/zinc/59/46/38/873594638.db2.gz SKWJLPLWHQWOHC-HXUWFJFHSA-N 2 1 399.535 3.986 20 0 GHADMP CC(C)C[N@H+](CC(=O)Nc1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC001197194539 873644261 /nfs/dbraw/zinc/64/42/61/873644261.db2.gz QASBHSTYOJBVAJ-UHFFFAOYSA-N 2 1 396.373 3.687 20 0 GHADMP CC(C)C[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)CC1CC[NH+](C)CC1 ZINC001197194669 873644433 /nfs/dbraw/zinc/64/44/33/873644433.db2.gz RLHZVKBWZMXTPI-UYAOXDASSA-N 2 1 381.605 3.789 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000921230866 882745099 /nfs/dbraw/zinc/74/50/99/882745099.db2.gz GLJLVERIECQYOG-HXUWFJFHSA-N 2 1 398.595 3.812 20 0 GHADMP CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541537665 873790005 /nfs/dbraw/zinc/79/00/05/873790005.db2.gz ZPBDYJHVLPFINJ-JOCHJYFZSA-N 2 1 389.547 3.920 20 0 GHADMP CC[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527946742 873791570 /nfs/dbraw/zinc/79/15/70/873791570.db2.gz IOSHWXQEQSOICW-CTNGQTDRSA-N 2 1 387.568 3.601 20 0 GHADMP CC[C@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000527946742 873791579 /nfs/dbraw/zinc/79/15/79/873791579.db2.gz IOSHWXQEQSOICW-CTNGQTDRSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001198337218 874358947 /nfs/dbraw/zinc/35/89/47/874358947.db2.gz PVBSNCFSAMCVGD-IBGZPJMESA-N 2 1 390.572 3.941 20 0 GHADMP CC(C)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000541849474 874375876 /nfs/dbraw/zinc/37/58/76/874375876.db2.gz RZKQACXQANLVLU-UYAOXDASSA-N 2 1 376.545 3.558 20 0 GHADMP COc1cccc2c(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)cccc12 ZINC000449059071 874396357 /nfs/dbraw/zinc/39/63/57/874396357.db2.gz AAGJNQVQGLZLFQ-UHFFFAOYSA-N 2 1 376.500 3.970 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449077889 874459576 /nfs/dbraw/zinc/45/95/76/874459576.db2.gz KKRYSHWMUZYCOJ-MRXNPFEDSA-N 2 1 388.383 3.768 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC1 ZINC000449100316 874471243 /nfs/dbraw/zinc/47/12/43/874471243.db2.gz BNJIJHDSJBRPLO-GBXCKJPGSA-N 2 1 393.575 3.891 20 0 GHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449100552 874471414 /nfs/dbraw/zinc/47/14/14/874471414.db2.gz BWHIAWBGGSCZBB-BHDDXSALSA-N 2 1 387.612 3.561 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464782591 874486673 /nfs/dbraw/zinc/48/66/73/874486673.db2.gz YLEYTVBWWPNWJT-CTNGQTDRSA-N 2 1 376.585 3.696 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464782591 874486682 /nfs/dbraw/zinc/48/66/82/874486682.db2.gz YLEYTVBWWPNWJT-CTNGQTDRSA-N 2 1 376.585 3.696 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCCCC1 ZINC000302926569 874590856 /nfs/dbraw/zinc/59/08/56/874590856.db2.gz DEPGHYFTXHHLLQ-QFIPXVFZSA-N 2 1 386.584 3.777 20 0 GHADMP COc1ccc(-n2cc(CN[C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222000 874610821 /nfs/dbraw/zinc/61/08/21/874610821.db2.gz BUZWNWRPJQUTPB-DENIHFKCSA-N 2 1 390.531 3.881 20 0 GHADMP COc1ccc(-n2cc(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222000 874610829 /nfs/dbraw/zinc/61/08/29/874610829.db2.gz BUZWNWRPJQUTPB-DENIHFKCSA-N 2 1 390.531 3.881 20 0 GHADMP COc1ccc(-n2cc(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222000 874610836 /nfs/dbraw/zinc/61/08/36/874610836.db2.gz BUZWNWRPJQUTPB-DENIHFKCSA-N 2 1 390.531 3.881 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449233309 874622710 /nfs/dbraw/zinc/62/27/10/874622710.db2.gz KYYLSHCINMLSJU-SFHVURJKSA-N 2 1 397.519 3.806 20 0 GHADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000449249771 874628992 /nfs/dbraw/zinc/62/89/92/874628992.db2.gz KESIJAWNFSCYBI-NRFANRHFSA-N 2 1 392.591 3.983 20 0 GHADMP Cn1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(-c2ccc(F)cc2)n1 ZINC000449241190 874646173 /nfs/dbraw/zinc/64/61/73/874646173.db2.gz RUCAANTWKRCGQS-UHFFFAOYSA-N 2 1 393.510 3.970 20 0 GHADMP COC(=O)COc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC001199027527 874788734 /nfs/dbraw/zinc/78/87/34/874788734.db2.gz GQLDQUIQGMAJNP-UHFFFAOYSA-N 2 1 382.504 3.514 20 0 GHADMP CC(C)n1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000449413697 874806003 /nfs/dbraw/zinc/80/60/03/874806003.db2.gz JVGZRMXILKVWJM-JOCHJYFZSA-N 2 1 381.568 3.982 20 0 GHADMP CC(C)n1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000449413697 874806017 /nfs/dbraw/zinc/80/60/17/874806017.db2.gz JVGZRMXILKVWJM-JOCHJYFZSA-N 2 1 381.568 3.982 20 0 GHADMP C[C@@H]1C(=O)N(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1ccccc1 ZINC000770651556 874825585 /nfs/dbraw/zinc/82/55/85/874825585.db2.gz PBSSVSCMYDFMFU-WMZHIEFXSA-N 2 1 392.547 3.797 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492402 874924975 /nfs/dbraw/zinc/92/49/75/874924975.db2.gz BYFYCJVBCYDNHU-CAOCKLPOSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492402 874924987 /nfs/dbraw/zinc/92/49/87/874924987.db2.gz BYFYCJVBCYDNHU-CAOCKLPOSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492402 874924999 /nfs/dbraw/zinc/92/49/99/874924999.db2.gz BYFYCJVBCYDNHU-CAOCKLPOSA-N 2 1 397.607 3.763 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CC[C@](C)(c4ccccc4)C3)C2)CC1 ZINC000449492402 874925009 /nfs/dbraw/zinc/92/50/09/874925009.db2.gz BYFYCJVBCYDNHU-CAOCKLPOSA-N 2 1 397.607 3.763 20 0 GHADMP C[N@H+]1CC=C(C[NH2+]Cc2c(F)ccc(C(F)(F)F)c2Br)CC1 ZINC000858156114 882894506 /nfs/dbraw/zinc/89/45/06/882894506.db2.gz RTCGQEUBSSHLMQ-UHFFFAOYSA-N 2 1 381.211 3.959 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(F)ccc(C(F)(F)F)c2Br)CC1 ZINC000858156114 882894521 /nfs/dbraw/zinc/89/45/21/882894521.db2.gz RTCGQEUBSSHLMQ-UHFFFAOYSA-N 2 1 381.211 3.959 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449652396 875183975 /nfs/dbraw/zinc/18/39/75/875183975.db2.gz AUAQEKWVXLADBA-QZUCXDRTSA-N 2 1 396.579 3.880 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1Cl ZINC000303228742 875301735 /nfs/dbraw/zinc/30/17/35/875301735.db2.gz XUOZVEYHKUQQAL-OAHLLOKOSA-N 2 1 398.378 3.978 20 0 GHADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000465199485 875310905 /nfs/dbraw/zinc/31/09/05/875310905.db2.gz XSKPOZRTDOLFKI-XMSQKQJNSA-N 2 1 381.520 3.649 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C1 ZINC000465199485 875310922 /nfs/dbraw/zinc/31/09/22/875310922.db2.gz XSKPOZRTDOLFKI-XMSQKQJNSA-N 2 1 381.520 3.649 20 0 GHADMP C[C@@H](c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1)N1CCOCC1 ZINC000449846237 875510074 /nfs/dbraw/zinc/51/00/74/875510074.db2.gz WTVWLSAGCMBKRM-AVRDEDQJSA-N 2 1 385.552 3.815 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)CC3 ZINC000491424795 875681074 /nfs/dbraw/zinc/68/10/74/875681074.db2.gz XFIZKKXQSRTZCR-OAQYLSRUSA-N 2 1 389.543 3.956 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(Br)n3)CC2)nc(C)[nH+]1 ZINC000925224841 875833383 /nfs/dbraw/zinc/83/33/83/875833383.db2.gz OACZPRLTRQVKBF-CYBMUJFWSA-N 2 1 390.329 3.571 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC000303613751 875873503 /nfs/dbraw/zinc/87/35/03/875873503.db2.gz ZJJRDGUUYMWOQV-GOSISDBHSA-N 2 1 375.557 3.856 20 0 GHADMP Cc1c2cccc(C)c2oc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000172752988 875900242 /nfs/dbraw/zinc/90/02/42/875900242.db2.gz DIDHAYFRFNGYFM-UHFFFAOYSA-N 2 1 383.536 3.730 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc2c1CCCC2 ZINC000450064017 875927093 /nfs/dbraw/zinc/92/70/93/875927093.db2.gz ZYBPYPQSKADPJF-UHFFFAOYSA-N 2 1 397.607 3.834 20 0 GHADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](CC2CCCC2)C3)c1 ZINC001202161404 876036985 /nfs/dbraw/zinc/03/69/85/876036985.db2.gz UCVDIRXSLJOKBE-ZEQRLZLVSA-N 2 1 383.580 3.822 20 0 GHADMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](CC2CCCC2)C3)c1 ZINC001202161404 876036996 /nfs/dbraw/zinc/03/69/96/876036996.db2.gz UCVDIRXSLJOKBE-ZEQRLZLVSA-N 2 1 383.580 3.822 20 0 GHADMP c1cncc(COC[C@@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](CC2CCCC2)C3)c1 ZINC001202161404 876037011 /nfs/dbraw/zinc/03/70/11/876037011.db2.gz UCVDIRXSLJOKBE-ZEQRLZLVSA-N 2 1 383.580 3.822 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(CC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000509463924 876157301 /nfs/dbraw/zinc/15/73/01/876157301.db2.gz MFTSIFHKLZQRAN-IEBWSBKVSA-N 2 1 383.502 3.903 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000173192470 876235261 /nfs/dbraw/zinc/23/52/61/876235261.db2.gz RKXZPZCTXVCZJS-UHFFFAOYSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000173192470 876235269 /nfs/dbraw/zinc/23/52/69/876235269.db2.gz RKXZPZCTXVCZJS-UHFFFAOYSA-N 2 1 383.536 3.648 20 0 GHADMP CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)(c2ccccc2)CC1 ZINC000529717178 876578226 /nfs/dbraw/zinc/57/82/26/876578226.db2.gz NWAYOHDMHGSSGE-JOCHJYFZSA-N 2 1 383.580 3.563 20 0 GHADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620814 876666095 /nfs/dbraw/zinc/66/60/95/876666095.db2.gz ZCLXUSXPGLOUJC-NEAWWFDSSA-N 2 1 394.987 3.811 20 0 GHADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620814 876666100 /nfs/dbraw/zinc/66/61/00/876666100.db2.gz ZCLXUSXPGLOUJC-NEAWWFDSSA-N 2 1 394.987 3.811 20 0 GHADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000450620814 876666107 /nfs/dbraw/zinc/66/61/07/876666107.db2.gz ZCLXUSXPGLOUJC-NEAWWFDSSA-N 2 1 394.987 3.811 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccsc1 ZINC000173823168 876668496 /nfs/dbraw/zinc/66/84/96/876668496.db2.gz PXZVGHMCJAUOEV-HSALFYBXSA-N 2 1 392.613 3.788 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2)C1 ZINC000174148742 876860262 /nfs/dbraw/zinc/86/02/62/876860262.db2.gz IGIRHVHEDVTPRY-NZQKXSOJSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850434232 876918130 /nfs/dbraw/zinc/91/81/30/876918130.db2.gz VRSUJKFWNWJIHU-BPLDGKMQSA-N 2 1 376.850 3.743 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850434232 876918133 /nfs/dbraw/zinc/91/81/33/876918133.db2.gz VRSUJKFWNWJIHU-BPLDGKMQSA-N 2 1 376.850 3.743 20 0 GHADMP O=C(N1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc2C1)C(F)(F)F ZINC000850466510 876946250 /nfs/dbraw/zinc/94/62/50/876946250.db2.gz LBHHPQQSPIVXJK-TVPLGVNVSA-N 2 1 395.469 3.629 20 0 GHADMP Clc1cccc(-c2noc(CCN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000134916735 883105945 /nfs/dbraw/zinc/10/59/45/883105945.db2.gz JSTLOHCDTWKAQX-APWZRJJASA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000134916735 883105956 /nfs/dbraw/zinc/10/59/56/883105956.db2.gz JSTLOHCDTWKAQX-APWZRJJASA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)c1 ZINC000134916735 883105967 /nfs/dbraw/zinc/10/59/67/883105967.db2.gz JSTLOHCDTWKAQX-APWZRJJASA-N 2 1 386.927 3.881 20 0 GHADMP Clc1cccc(-c2noc(CC[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)c1 ZINC000134916735 883105977 /nfs/dbraw/zinc/10/59/77/883105977.db2.gz JSTLOHCDTWKAQX-APWZRJJASA-N 2 1 386.927 3.881 20 0 GHADMP c1cc([C@@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@@H](c4ccncc4)C3)C2)ccn1 ZINC000451008525 877224618 /nfs/dbraw/zinc/22/46/18/877224618.db2.gz XQLUYQDWNWQFSC-DNQXCXABSA-N 2 1 394.563 3.552 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174787756 877248571 /nfs/dbraw/zinc/24/85/71/877248571.db2.gz DFRHJPCMEQSBBT-YQQQUEKLSA-N 2 1 388.556 3.544 20 0 GHADMP FC(F)(F)c1cc(Cl)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530247907 877328816 /nfs/dbraw/zinc/32/88/16/877328816.db2.gz CVFIWTSVRIHJAV-KRWDZBQOSA-N 2 1 376.850 3.949 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216573 877326944 /nfs/dbraw/zinc/32/69/44/877326944.db2.gz BOEPBHCHMCFGSZ-XHDPSFHLSA-N 2 1 389.849 3.950 20 0 GHADMP Brc1cccc([C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C2CCOCC2)c1 ZINC000530217621 877327055 /nfs/dbraw/zinc/32/70/55/877327055.db2.gz UMUJPKVMVHYWNR-MSOLQXFVSA-N 2 1 379.342 3.791 20 0 GHADMP FC(F)(F)c1cc(Cl)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530247908 877327856 /nfs/dbraw/zinc/32/78/56/877327856.db2.gz CVFIWTSVRIHJAV-QGZVFWFLSA-N 2 1 376.850 3.949 20 0 GHADMP Clc1cc(Br)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241892 877352001 /nfs/dbraw/zinc/35/20/01/877352001.db2.gz ROMYOUFASRFSRB-INIZCTEOSA-N 2 1 387.749 3.693 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000642638112 912239018 /nfs/dbraw/zinc/23/90/18/912239018.db2.gz GIDIZPDMSBVTMT-XZOQPEGZSA-N 2 1 394.563 3.643 20 0 GHADMP Fc1ccc(C2(NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551699299 877664112 /nfs/dbraw/zinc/66/41/12/877664112.db2.gz XBPFHYUOMWBLSA-HSZRJFAPSA-N 2 1 398.522 3.712 20 0 GHADMP Fc1ccc(C2(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CCOCC2)cc1 ZINC000551699299 877664126 /nfs/dbraw/zinc/66/41/26/877664126.db2.gz XBPFHYUOMWBLSA-HSZRJFAPSA-N 2 1 398.522 3.712 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551708084 877680631 /nfs/dbraw/zinc/68/06/31/877680631.db2.gz HKHHVVFJJJTHEN-UHFFFAOYSA-N 2 1 377.330 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000851803629 877916336 /nfs/dbraw/zinc/91/63/36/877916336.db2.gz UFKPIVXJYKURCL-IHPCNDPISA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000851803629 877916340 /nfs/dbraw/zinc/91/63/40/877916340.db2.gz UFKPIVXJYKURCL-IHPCNDPISA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000851803629 877916345 /nfs/dbraw/zinc/91/63/45/877916345.db2.gz UFKPIVXJYKURCL-IHPCNDPISA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000851803629 877916349 /nfs/dbraw/zinc/91/63/49/877916349.db2.gz UFKPIVXJYKURCL-IHPCNDPISA-N 2 1 398.484 3.556 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528000 878057076 /nfs/dbraw/zinc/05/70/76/878057076.db2.gz DZCNSRLHEFNBFM-KNQAVFIVSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528000 878057097 /nfs/dbraw/zinc/05/70/97/878057097.db2.gz DZCNSRLHEFNBFM-KNQAVFIVSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528000 878057118 /nfs/dbraw/zinc/05/71/18/878057118.db2.gz DZCNSRLHEFNBFM-KNQAVFIVSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528000 878057138 /nfs/dbraw/zinc/05/71/38/878057138.db2.gz DZCNSRLHEFNBFM-KNQAVFIVSA-N 2 1 375.532 3.543 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245550204 878095388 /nfs/dbraw/zinc/09/53/88/878095388.db2.gz HDIYYSLLZQTMEU-PMACEKPBSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245550204 878095409 /nfs/dbraw/zinc/09/54/09/878095409.db2.gz HDIYYSLLZQTMEU-PMACEKPBSA-N 2 1 392.975 3.505 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@H](c2ccccc2)C1 ZINC000788517698 878122889 /nfs/dbraw/zinc/12/28/89/878122889.db2.gz CMPLURRIWHABPV-UXHICEINSA-N 2 1 384.955 3.691 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)C1 ZINC000788525214 878130955 /nfs/dbraw/zinc/13/09/55/878130955.db2.gz JBKCXXDGMJVMBZ-UHFFFAOYSA-N 2 1 399.579 3.683 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000248661945 912320032 /nfs/dbraw/zinc/32/00/32/912320032.db2.gz GBUJSVCFNFCPLT-LRXVAGHRSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000248661945 912320042 /nfs/dbraw/zinc/32/00/42/912320042.db2.gz GBUJSVCFNFCPLT-LRXVAGHRSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000248661945 912320064 /nfs/dbraw/zinc/32/00/64/912320064.db2.gz GBUJSVCFNFCPLT-LRXVAGHRSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000615893858 878229624 /nfs/dbraw/zinc/22/96/24/878229624.db2.gz FMBIOIBPBFMSDQ-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000245645143 878270392 /nfs/dbraw/zinc/27/03/92/878270392.db2.gz YXZJNNHQLZXAAY-OSXBXZONSA-N 2 1 392.975 3.505 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000245645143 878270416 /nfs/dbraw/zinc/27/04/16/878270416.db2.gz YXZJNNHQLZXAAY-OSXBXZONSA-N 2 1 392.975 3.505 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1)CC1CC1 ZINC000537803913 878352842 /nfs/dbraw/zinc/35/28/42/878352842.db2.gz UNKCXZNVPQUOLW-UHFFFAOYSA-N 2 1 392.632 3.793 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245680679 878364291 /nfs/dbraw/zinc/36/42/91/878364291.db2.gz ITQYQZBBMXWFBP-WKCHPHFGSA-N 2 1 396.531 3.998 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245680679 878364305 /nfs/dbraw/zinc/36/43/05/878364305.db2.gz ITQYQZBBMXWFBP-WKCHPHFGSA-N 2 1 396.531 3.998 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(F)c2)CC1)CC1CC1 ZINC000537848377 878388016 /nfs/dbraw/zinc/38/80/16/878388016.db2.gz ALFKQINNWPMFRI-QGZVFWFLSA-N 2 1 375.532 3.987 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000176831836 878431122 /nfs/dbraw/zinc/43/11/22/878431122.db2.gz HQMREZNWKXBYHF-NHCUHLMSSA-N 2 1 388.600 3.516 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](n4cc(C[NH3+])nn4)C3)ccc21 ZINC000667041156 878584185 /nfs/dbraw/zinc/58/41/85/878584185.db2.gz LNLFBHIBCZXLFQ-LJQANCHMSA-N 2 1 388.519 3.702 20 0 GHADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C[NH+](C)C)ccc3C)cc2F)CC1 ZINC000177350285 878659456 /nfs/dbraw/zinc/65/94/56/878659456.db2.gz VZURLIGBZWPJQZ-UHFFFAOYSA-N 2 1 398.526 3.590 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCCC2CC[NH+](CC)CC2)CC1)CC(C)C ZINC000538056450 878773636 /nfs/dbraw/zinc/77/36/36/878773636.db2.gz OQXAFSGPMYWKHR-UHFFFAOYSA-N 2 1 394.648 3.898 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246050808 878903435 /nfs/dbraw/zinc/90/34/35/878903435.db2.gz PNYWRXPDLJOCDW-JRGCBEDISA-N 2 1 378.582 3.506 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(SC)cc1OC ZINC000246086506 878950294 /nfs/dbraw/zinc/95/02/94/878950294.db2.gz IGYIKBLWFNHEMQ-YJBOKZPZSA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(SC)cc1OC ZINC000246086506 878950310 /nfs/dbraw/zinc/95/03/10/878950310.db2.gz IGYIKBLWFNHEMQ-YJBOKZPZSA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(SC)cc1OC ZINC000246086506 878950322 /nfs/dbraw/zinc/95/03/22/878950322.db2.gz IGYIKBLWFNHEMQ-YJBOKZPZSA-N 2 1 376.566 3.874 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(SC)cc1OC ZINC000246086506 878950328 /nfs/dbraw/zinc/95/03/28/878950328.db2.gz IGYIKBLWFNHEMQ-YJBOKZPZSA-N 2 1 376.566 3.874 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000178210542 879043744 /nfs/dbraw/zinc/04/37/44/879043744.db2.gz RZOISUJIEUCUPZ-AZUAARDMSA-N 2 1 385.552 3.673 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000178210542 879043756 /nfs/dbraw/zinc/04/37/56/879043756.db2.gz RZOISUJIEUCUPZ-AZUAARDMSA-N 2 1 385.552 3.673 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000246167051 879082940 /nfs/dbraw/zinc/08/29/40/879082940.db2.gz FRAQARIVJXIBPO-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4CC[N@H+](C5CC5)C4)cc3)nc12 ZINC000068840067 879089297 /nfs/dbraw/zinc/08/92/97/879089297.db2.gz LQWPYXVRSLWHTM-FQEVSTJZSA-N 2 1 390.531 3.796 20 0 GHADMP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)c1cccc(O)c1 ZINC000178378703 879099568 /nfs/dbraw/zinc/09/95/68/879099568.db2.gz GRQULOOHRQJPPT-LJQANCHMSA-N 2 1 395.547 3.687 20 0 GHADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C)c1cccc(O)c1 ZINC000178378703 879099583 /nfs/dbraw/zinc/09/95/83/879099583.db2.gz GRQULOOHRQJPPT-LJQANCHMSA-N 2 1 395.547 3.687 20 0 GHADMP CCN(CC)Cc1csc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000746838021 879149604 /nfs/dbraw/zinc/14/96/04/879149604.db2.gz XGFTXIHJBKVEOX-SFHVURJKSA-N 2 1 386.565 3.836 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000531142565 879229703 /nfs/dbraw/zinc/22/97/03/879229703.db2.gz KNUPJWFBEYJZHW-MRXNPFEDSA-N 2 1 388.508 3.830 20 0 GHADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000538397795 879419779 /nfs/dbraw/zinc/41/97/79/879419779.db2.gz BRHFVELYIVIQPP-OAHLLOKOSA-N 2 1 394.357 3.874 20 0 GHADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]c1 ZINC000246435513 879560323 /nfs/dbraw/zinc/56/03/23/879560323.db2.gz HFGFLYGESBSSJK-PZJWPPBQSA-N 2 1 395.551 3.544 20 0 GHADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]c1 ZINC000246435513 879560336 /nfs/dbraw/zinc/56/03/36/879560336.db2.gz HFGFLYGESBSSJK-PZJWPPBQSA-N 2 1 395.551 3.544 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000246494134 879618712 /nfs/dbraw/zinc/61/87/12/879618712.db2.gz SDUUGXMAGKNLFV-SLFFLAALSA-N 2 1 378.944 3.911 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001183379253 912494307 /nfs/dbraw/zinc/49/43/07/912494307.db2.gz KYNAEPJRXNZPJZ-UYAOXDASSA-N 2 1 387.568 3.720 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001183379253 912494310 /nfs/dbraw/zinc/49/43/10/912494310.db2.gz KYNAEPJRXNZPJZ-UYAOXDASSA-N 2 1 387.568 3.720 20 0 GHADMP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139792 879826076 /nfs/dbraw/zinc/82/60/76/879826076.db2.gz VZVJODSXSVXQCG-QLBRKBSLSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001170139792 879826099 /nfs/dbraw/zinc/82/60/99/879826099.db2.gz VZVJODSXSVXQCG-QLBRKBSLSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001170139792 879826116 /nfs/dbraw/zinc/82/61/16/879826116.db2.gz VZVJODSXSVXQCG-QLBRKBSLSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247031174 879892945 /nfs/dbraw/zinc/89/29/45/879892945.db2.gz LHTPRAGWFVRTCI-JTDSTZFVSA-N 2 1 391.357 3.677 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247031174 879892960 /nfs/dbraw/zinc/89/29/60/879892960.db2.gz LHTPRAGWFVRTCI-JTDSTZFVSA-N 2 1 391.357 3.677 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247327854 879971359 /nfs/dbraw/zinc/97/13/59/879971359.db2.gz IVXBSUUXAAAATO-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182911146 880037145 /nfs/dbraw/zinc/03/71/45/880037145.db2.gz MMDSDPLKZBJRLW-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911146 880037160 /nfs/dbraw/zinc/03/71/60/880037160.db2.gz MMDSDPLKZBJRLW-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182911146 880037179 /nfs/dbraw/zinc/03/71/79/880037179.db2.gz MMDSDPLKZBJRLW-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001170146301 880108417 /nfs/dbraw/zinc/10/84/17/880108417.db2.gz PUVSZXAGMDJRPY-NRFANRHFSA-N 2 1 387.543 3.657 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001170146301 880108419 /nfs/dbraw/zinc/10/84/19/880108419.db2.gz PUVSZXAGMDJRPY-NRFANRHFSA-N 2 1 387.543 3.657 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531677551 880305008 /nfs/dbraw/zinc/30/50/08/880305008.db2.gz FZTBEYUNDHKZEN-LVCYWYKZSA-N 2 1 387.593 3.827 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CSCCc3ccccc32)c2cccs2)CC1 ZINC000531676938 880307641 /nfs/dbraw/zinc/30/76/41/880307641.db2.gz UTFLRFPCIHQOJE-VQTJNVASSA-N 2 1 387.618 3.657 20 0 GHADMP Clc1ccc(-n2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000184593537 880340549 /nfs/dbraw/zinc/34/05/49/880340549.db2.gz FQLYMNWVDYCXOY-UHFFFAOYSA-N 2 1 388.943 3.603 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000184743610 880371504 /nfs/dbraw/zinc/37/15/04/880371504.db2.gz GZULZJUELVEQLD-GJZGRUSLSA-N 2 1 380.458 3.685 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453056241 880406224 /nfs/dbraw/zinc/40/62/24/880406224.db2.gz FJNZJRUHXTWPSQ-LLVKDONJSA-N 2 1 387.240 3.676 20 0 GHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc2n1CCCC2 ZINC000453083167 880439368 /nfs/dbraw/zinc/43/93/68/880439368.db2.gz MXOTZRWAYDEFSF-XPWALMASSA-N 2 1 378.564 3.795 20 0 GHADMP CC(C)[NH+](CCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000509482007 880441346 /nfs/dbraw/zinc/44/13/46/880441346.db2.gz XUHLSWJPFHDVKD-HXUWFJFHSA-N 2 1 399.501 3.676 20 0 GHADMP Clc1ccccc1C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCO1 ZINC000453094041 880457797 /nfs/dbraw/zinc/45/77/97/880457797.db2.gz GJUBNTUWNCUOOR-SFTDATJTSA-N 2 1 392.971 3.665 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000186878888 881010675 /nfs/dbraw/zinc/01/06/75/881010675.db2.gz MXMYOZLGXNSYAV-HXUWFJFHSA-N 2 1 383.502 3.903 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)C1CC1 ZINC000186878888 881010695 /nfs/dbraw/zinc/01/06/95/881010695.db2.gz MXMYOZLGXNSYAV-HXUWFJFHSA-N 2 1 383.502 3.903 20 0 GHADMP Cc1noc([C@@H]2CCC[NH+]2CCCCCC[N@@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000796695941 881022546 /nfs/dbraw/zinc/02/25/46/881022546.db2.gz QTAIYVAUFOXXTQ-ROUUACIJSA-N 2 1 388.516 3.604 20 0 GHADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000186984158 881042115 /nfs/dbraw/zinc/04/21/15/881042115.db2.gz FNRITWBRPBGODM-UHFFFAOYSA-N 2 1 394.494 3.988 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)C1CC1 ZINC000453593535 881066715 /nfs/dbraw/zinc/06/67/15/881066715.db2.gz GPHLOKJSCDXKMT-UHFFFAOYSA-N 2 1 375.520 3.898 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001183533374 912640986 /nfs/dbraw/zinc/64/09/86/912640986.db2.gz KMCUIPGARUNKLX-SFHVURJKSA-N 2 1 390.572 3.923 20 0 GHADMP COc1c(Br)cccc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000187247655 881121937 /nfs/dbraw/zinc/12/19/37/881121937.db2.gz NKAWMJOSEHVNGF-UHFFFAOYSA-N 2 1 390.325 3.920 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4c(F)cccc4F)o3)C2)CC1 ZINC000537622653 881131609 /nfs/dbraw/zinc/13/16/09/881131609.db2.gz GWSJFMNLORKKQI-KRWDZBQOSA-N 2 1 389.490 3.825 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000073918967 881159813 /nfs/dbraw/zinc/15/98/13/881159813.db2.gz MWFAIHLEAPSLJL-IRLDBZIGSA-N 2 1 386.584 3.505 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001170275786 881291894 /nfs/dbraw/zinc/29/18/94/881291894.db2.gz XOVCBQGYFNLRKT-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001170275786 881291903 /nfs/dbraw/zinc/29/19/03/881291903.db2.gz XOVCBQGYFNLRKT-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001170275786 881291913 /nfs/dbraw/zinc/29/19/13/881291913.db2.gz XOVCBQGYFNLRKT-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1cn(-c2ccccc2)nn1 ZINC000181338221 883140389 /nfs/dbraw/zinc/14/03/89/883140389.db2.gz UQOPETXNFHZRFQ-QZTJIDSGSA-N 2 1 379.508 3.620 20 0 GHADMP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858492523 883144801 /nfs/dbraw/zinc/14/48/01/883144801.db2.gz YGGBWDLOLZUNSC-OALUTQOASA-N 2 1 385.552 3.553 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000195139442 883192745 /nfs/dbraw/zinc/19/27/45/883192745.db2.gz NTGJTXIGXHWDPC-RBBKRZOGSA-N 3 1 381.564 3.800 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000195139442 883192755 /nfs/dbraw/zinc/19/27/55/883192755.db2.gz NTGJTXIGXHWDPC-RBBKRZOGSA-N 2 1 381.564 3.800 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476975250 883510760 /nfs/dbraw/zinc/51/07/60/883510760.db2.gz QGIJBFNBNSHIQY-RTBURBONSA-N 2 1 389.559 3.807 20 0 GHADMP Cc1ccccc1COC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000859053793 883561320 /nfs/dbraw/zinc/56/13/20/883561320.db2.gz FARWWLLONHSMRE-UHFFFAOYSA-N 2 1 387.568 3.760 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ncn(-c3ccccc3)n2)CC1 ZINC000551301063 883616709 /nfs/dbraw/zinc/61/67/09/883616709.db2.gz COMYPJSYWVNVGB-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ncn(-c3ccccc3)n2)CC1 ZINC000551301063 883616714 /nfs/dbraw/zinc/61/67/14/883616714.db2.gz COMYPJSYWVNVGB-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000859213125 883665711 /nfs/dbraw/zinc/66/57/11/883665711.db2.gz RVKJQYUVLBZSJT-VGOFRKELSA-N 2 1 383.511 3.681 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000542503178 883666179 /nfs/dbraw/zinc/66/61/79/883666179.db2.gz RMEIOJUUUYXMEM-FQEVSTJZSA-N 2 1 385.596 3.915 20 0 GHADMP C[NH+](C)[C@@H]1CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000859278183 883714388 /nfs/dbraw/zinc/71/43/88/883714388.db2.gz MCMNOIYGYVWEFM-SZPZYZBQSA-N 4 1 396.740 3.527 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[Si](C)(C)CC[NH+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000859278183 883714403 /nfs/dbraw/zinc/71/44/03/883714403.db2.gz MCMNOIYGYVWEFM-SZPZYZBQSA-N 4 1 396.740 3.527 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@H+](CC[Si](C)(C)CC[NH+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000859278183 883714420 /nfs/dbraw/zinc/71/44/20/883714420.db2.gz MCMNOIYGYVWEFM-SZPZYZBQSA-N 4 1 396.740 3.527 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556217604 884117067 /nfs/dbraw/zinc/11/70/67/884117067.db2.gz NFWWVOHCMYAESI-OFNKIYASSA-N 2 1 379.548 3.523 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)c1 ZINC000498372706 884200101 /nfs/dbraw/zinc/20/01/01/884200101.db2.gz IJEFOGWXKXVSLP-PKTZIBPZSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000498372706 884200118 /nfs/dbraw/zinc/20/01/18/884200118.db2.gz IJEFOGWXKXVSLP-PKTZIBPZSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000498372706 884200135 /nfs/dbraw/zinc/20/01/35/884200135.db2.gz IJEFOGWXKXVSLP-PKTZIBPZSA-N 2 1 377.532 3.675 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000859995561 884249283 /nfs/dbraw/zinc/24/92/83/884249283.db2.gz SWOFQULESPFDOI-HXUWFJFHSA-N 2 1 375.557 3.827 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860039087 884281074 /nfs/dbraw/zinc/28/10/74/884281074.db2.gz YQTKFVCAJGYSEK-NMLBUPMWSA-N 2 1 388.556 3.549 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860039087 884281091 /nfs/dbraw/zinc/28/10/91/884281091.db2.gz YQTKFVCAJGYSEK-NMLBUPMWSA-N 2 1 388.556 3.549 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542531140 884354702 /nfs/dbraw/zinc/35/47/02/884354702.db2.gz AFZBCHDHJHXACS-CTNGQTDRSA-N 2 1 399.623 3.885 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542531140 884354728 /nfs/dbraw/zinc/35/47/28/884354728.db2.gz AFZBCHDHJHXACS-CTNGQTDRSA-N 2 1 399.623 3.885 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806130905 884389271 /nfs/dbraw/zinc/38/92/71/884389271.db2.gz DSINAGLMUXKEFZ-HXUWFJFHSA-N 2 1 384.955 3.650 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001168181105 884621533 /nfs/dbraw/zinc/62/15/33/884621533.db2.gz XQOXVIWKKGEKHY-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001168181105 884621538 /nfs/dbraw/zinc/62/15/38/884621538.db2.gz XQOXVIWKKGEKHY-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001168181105 884621544 /nfs/dbraw/zinc/62/15/44/884621544.db2.gz XQOXVIWKKGEKHY-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001168181396 884641547 /nfs/dbraw/zinc/64/15/47/884641547.db2.gz YUFLTAWQSWNCBX-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001168181396 884641555 /nfs/dbraw/zinc/64/15/55/884641555.db2.gz YUFLTAWQSWNCBX-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001168181396 884641559 /nfs/dbraw/zinc/64/15/59/884641559.db2.gz YUFLTAWQSWNCBX-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP CCSc1ccc([C@H](C)NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000105246924 884681689 /nfs/dbraw/zinc/68/16/89/884681689.db2.gz TWTJSFGLULCFLM-KRWDZBQOSA-N 2 1 392.613 3.527 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000556428965 884895090 /nfs/dbraw/zinc/89/50/90/884895090.db2.gz CGIXRCREBHDJLP-UHFFFAOYSA-N 3 1 393.575 3.914 20 0 GHADMP CCN(C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000460348995 884931507 /nfs/dbraw/zinc/93/15/07/884931507.db2.gz HFYITKPILODBQR-GZOXUSKESA-N 2 1 379.548 3.786 20 0 GHADMP CCN(C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000460348995 884931519 /nfs/dbraw/zinc/93/15/19/884931519.db2.gz HFYITKPILODBQR-GZOXUSKESA-N 2 1 379.548 3.786 20 0 GHADMP CCC[N@@H+](Cc1cc(C)c(I)c(C)c1)C1CC[NH2+]CC1 ZINC001236183922 885248172 /nfs/dbraw/zinc/24/81/72/885248172.db2.gz BRZWTMFZBSZNQZ-UHFFFAOYSA-N 2 1 386.321 3.872 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107367777 885305822 /nfs/dbraw/zinc/30/58/22/885305822.db2.gz RXWPGHJBKISVQU-ROUUACIJSA-N 2 1 399.501 3.575 20 0 GHADMP C[C@H](CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001126789762 885437697 /nfs/dbraw/zinc/43/76/97/885437697.db2.gz DDAXAXKUVSRWEC-UTKZUKDTSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@H](CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC001126789762 885437700 /nfs/dbraw/zinc/43/77/00/885437700.db2.gz DDAXAXKUVSRWEC-UTKZUKDTSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442298 885451075 /nfs/dbraw/zinc/45/10/75/885451075.db2.gz KSTAJQGUTPYYFM-XLIONFOSSA-N 2 1 375.557 3.787 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498721408 885481928 /nfs/dbraw/zinc/48/19/28/885481928.db2.gz LFJHWXFIJSTIED-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC000508881075 885552281 /nfs/dbraw/zinc/55/22/81/885552281.db2.gz MXRVJCXGXLHNPU-CUXKYVRBSA-N 2 1 386.584 3.643 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000532480705 885802074 /nfs/dbraw/zinc/80/20/74/885802074.db2.gz XTUFBIIEPKPUBN-QHCPKHFHSA-N 2 1 395.547 3.817 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3Cl)C2)CC1 ZINC000498850062 885935516 /nfs/dbraw/zinc/93/55/16/885935516.db2.gz NJNZJETZYPVLMY-RTBURBONSA-N 2 1 380.960 3.524 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3Cl)C2)CC1 ZINC000498850062 885935526 /nfs/dbraw/zinc/93/55/26/885935526.db2.gz NJNZJETZYPVLMY-RTBURBONSA-N 2 1 380.960 3.524 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000550703832 885955253 /nfs/dbraw/zinc/95/52/53/885955253.db2.gz OSZICKAZQKCKRL-DLBZAZTESA-N 2 1 379.426 3.904 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)C[C@@H]1c1ccccc1 ZINC000550703832 885955271 /nfs/dbraw/zinc/95/52/71/885955271.db2.gz OSZICKAZQKCKRL-DLBZAZTESA-N 2 1 379.426 3.904 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@H]4C[N@H+]5CCC[C@@H]5CO4)n3)cc2)CC1 ZINC000923824809 885998402 /nfs/dbraw/zinc/99/84/02/885998402.db2.gz IUTGTFHUMFEOIF-WOJBJXKFSA-N 2 1 382.508 3.504 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000643492949 886160178 /nfs/dbraw/zinc/16/01/78/886160178.db2.gz AMNBVMKZKDFPPV-KMDXXIMOSA-N 2 1 398.595 3.510 20 0 GHADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000556885787 886454735 /nfs/dbraw/zinc/45/47/35/886454735.db2.gz IEBZORZGAGPPLB-GUGJDKNPSA-N 2 1 387.568 3.505 20 0 GHADMP CN1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556886798 886458992 /nfs/dbraw/zinc/45/89/92/886458992.db2.gz WCGSHFPOZRDGGS-WPCMGHOJSA-N 2 1 379.951 3.934 20 0 GHADMP CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000072895376 886500376 /nfs/dbraw/zinc/50/03/76/886500376.db2.gz GQXIYTRBBIHMKD-QHCPKHFHSA-N 2 1 379.548 3.982 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057176771 886549159 /nfs/dbraw/zinc/54/91/59/886549159.db2.gz VOKRMGLEQOUNHT-QHCPKHFHSA-N 2 1 395.522 3.571 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000556916741 886666126 /nfs/dbraw/zinc/66/61/26/886666126.db2.gz ZHDZVIQLXDQVFG-OOMBGRCJSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cnn1-c1ccccc1 ZINC000808720088 886703905 /nfs/dbraw/zinc/70/39/05/886703905.db2.gz MWBKPWRRMQDLIU-GOSISDBHSA-N 2 1 393.535 3.757 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168328263 886723611 /nfs/dbraw/zinc/72/36/11/886723611.db2.gz BZGOGWMIDAZKJC-QDIHITRGSA-N 2 1 393.494 3.637 20 0 GHADMP C[C@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000644160923 913079527 /nfs/dbraw/zinc/07/95/27/913079527.db2.gz KSZFGCMSJBKVKI-NFBKMPQASA-N 2 1 398.595 3.729 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000119613207 886787740 /nfs/dbraw/zinc/78/77/40/886787740.db2.gz GXVFJWGKORGMHH-HSZRJFAPSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000125177949 886835372 /nfs/dbraw/zinc/83/53/72/886835372.db2.gz HAEHQKXRCTWRHO-ROUUACIJSA-N 2 1 376.508 3.539 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085684 886909259 /nfs/dbraw/zinc/90/92/59/886909259.db2.gz XYIFDMAQYBOXJV-HYVNUMGLSA-N 2 1 385.474 3.578 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000126711968 887000375 /nfs/dbraw/zinc/00/03/75/887000375.db2.gz BENZKOQXXHISPD-UZLBHIALSA-N 2 1 378.944 3.953 20 0 GHADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000666664544 887013851 /nfs/dbraw/zinc/01/38/51/887013851.db2.gz HAGWNLLZBZANIW-OAQYLSRUSA-N 2 1 398.595 3.699 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000127045945 887025880 /nfs/dbraw/zinc/02/58/80/887025880.db2.gz DNHLPWGXTQUFCN-UHFFFAOYSA-N 2 1 384.499 3.627 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000127045945 887025895 /nfs/dbraw/zinc/02/58/95/887025895.db2.gz DNHLPWGXTQUFCN-UHFFFAOYSA-N 2 1 384.499 3.627 20 0 GHADMP FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655755673 887194877 /nfs/dbraw/zinc/19/48/77/887194877.db2.gz HVNIMMVYIIAFPF-QZTJIDSGSA-N 2 1 397.485 3.517 20 0 GHADMP Brc1ccc2[nH]c(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1 ZINC000655757179 887325140 /nfs/dbraw/zinc/32/51/40/887325140.db2.gz PEEIRIXDWSJVDR-SFHVURJKSA-N 2 1 392.341 3.663 20 0 GHADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184401110 913182616 /nfs/dbraw/zinc/18/26/16/913182616.db2.gz HTACKZSCNUQOHV-KRWDZBQOSA-N 2 1 395.894 3.771 20 0 GHADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184401110 913182622 /nfs/dbraw/zinc/18/26/22/913182622.db2.gz HTACKZSCNUQOHV-KRWDZBQOSA-N 2 1 395.894 3.771 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000120111436 887848083 /nfs/dbraw/zinc/84/80/83/887848083.db2.gz GYFQYDCREZVXBH-IIBYNOLFSA-N 2 1 390.549 3.912 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000120111436 887848093 /nfs/dbraw/zinc/84/80/93/887848093.db2.gz GYFQYDCREZVXBH-IIBYNOLFSA-N 2 1 390.549 3.912 20 0 GHADMP O=C(c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1)N1CCCC1 ZINC000865437754 888350318 /nfs/dbraw/zinc/35/03/18/888350318.db2.gz FEDXEHJKIHAIIA-HXUWFJFHSA-N 2 1 397.588 3.986 20 0 GHADMP O=C(c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1)N1CCCC1 ZINC000865437754 888350326 /nfs/dbraw/zinc/35/03/26/888350326.db2.gz FEDXEHJKIHAIIA-HXUWFJFHSA-N 2 1 397.588 3.986 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000729684574 888661738 /nfs/dbraw/zinc/66/17/38/888661738.db2.gz SKGBXNLMVODOCW-UHFFFAOYSA-N 2 1 384.549 3.674 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866306801 888822511 /nfs/dbraw/zinc/82/25/11/888822511.db2.gz MZKXDQICAWBUPG-TZRRMPRUSA-N 2 1 379.548 3.723 20 0 GHADMP c1c[nH]c([C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)n1 ZINC000866470740 888897001 /nfs/dbraw/zinc/89/70/01/888897001.db2.gz YXIKCSASJHEYNO-JOCHJYFZSA-N 2 1 375.520 3.786 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCNC3=O)cc2)cc1 ZINC000866575113 888946397 /nfs/dbraw/zinc/94/63/97/888946397.db2.gz IJEYSNMQFZOQOY-QGZVFWFLSA-N 2 1 389.503 3.557 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000454475648 889103343 /nfs/dbraw/zinc/10/33/43/889103343.db2.gz AFUGVVMVWJCRSC-NOTZXAQLSA-N 2 1 398.595 3.747 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245700503 889281205 /nfs/dbraw/zinc/28/12/05/889281205.db2.gz LRZOSEZGFDVPFX-QERLCLQCSA-N 2 1 397.607 3.540 20 0 GHADMP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000868177393 889335882 /nfs/dbraw/zinc/33/58/82/889335882.db2.gz NVKXRIAJUBFOAN-WMTXJRDZSA-N 2 1 390.531 3.631 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000644545405 913354845 /nfs/dbraw/zinc/35/48/45/913354845.db2.gz SJQNLWBFWKGBDV-LJQANCHMSA-N 2 1 385.939 3.823 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000122310519 889607955 /nfs/dbraw/zinc/60/79/55/889607955.db2.gz NFTQQVSKMHYAKY-RTBURBONSA-N 2 1 382.552 3.766 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC2([NH+]4CCCCC4)CCOCC2)C3)cc1 ZINC000245769815 889680110 /nfs/dbraw/zinc/68/01/10/889680110.db2.gz WZXVKHIQMHABFE-BKFWDETESA-N 2 1 397.607 3.807 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125902969 890245930 /nfs/dbraw/zinc/24/59/30/890245930.db2.gz HBEGJNUDLNLPJK-HOTGVXAUSA-N 2 1 381.948 3.776 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000916838178 890274865 /nfs/dbraw/zinc/27/48/65/890274865.db2.gz OCZSNBDOGVRZTN-FDFHNCONSA-N 2 1 399.579 3.796 20 0 GHADMP Cc1cc(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000812123204 890324837 /nfs/dbraw/zinc/32/48/37/890324837.db2.gz RRLRKQIXBRREKY-UHFFFAOYSA-N 2 1 399.583 3.587 20 0 GHADMP O=C(CCC12CC(C1)C[NH2+]2)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000870928048 890579250 /nfs/dbraw/zinc/57/92/50/890579250.db2.gz SFONLLHIQUYCPA-UHFFFAOYSA-N 2 1 396.362 3.606 20 0 GHADMP Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(CCC[NH+](C)C)CC3)c2C)no1 ZINC000123407752 890587856 /nfs/dbraw/zinc/58/78/56/890587856.db2.gz DPXKQKJUHAWGMA-UHFFFAOYSA-N 2 1 386.540 3.627 20 0 GHADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCC2 ZINC000126711217 890660060 /nfs/dbraw/zinc/66/00/60/890660060.db2.gz VEBKRJFYOLNPHA-JPYJTQIMSA-N 2 1 384.564 3.870 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(Br)c3OC(F)F)CC[C@@H]21 ZINC000533558993 890843476 /nfs/dbraw/zinc/84/34/76/890843476.db2.gz YKQCREMLAQMOBS-DOMZBBRYSA-N 2 1 389.284 3.967 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)c1ccc(C[NH3+])o1)Cc1ccccc1 ZINC000237133735 890868303 /nfs/dbraw/zinc/86/83/03/890868303.db2.gz ZKZQIKDDXRIHKC-UHFFFAOYSA-N 2 1 377.488 3.513 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](CC3CCCCC3)C3CC3)cc2)CC1 ZINC000917072915 891009786 /nfs/dbraw/zinc/00/97/86/891009786.db2.gz WYHDPUJFTCNJHH-UHFFFAOYSA-N 2 1 398.595 3.812 20 0 GHADMP C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000812841545 891028868 /nfs/dbraw/zinc/02/88/68/891028868.db2.gz ALAXXYHRBQWLEX-WOJBJXKFSA-N 2 1 384.612 3.964 20 0 GHADMP CC[C@@](O)(CCC(F)(F)F)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000897523899 891099820 /nfs/dbraw/zinc/09/98/20/891099820.db2.gz ZBCYYZGBCDLUAN-LJQANCHMSA-N 2 1 390.465 3.906 20 0 GHADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156645 891183935 /nfs/dbraw/zinc/18/39/35/891183935.db2.gz KVZCDIFNMGONHP-AOIWGVFYSA-N 2 1 378.561 3.923 20 0 GHADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156645 891183940 /nfs/dbraw/zinc/18/39/40/891183940.db2.gz KVZCDIFNMGONHP-AOIWGVFYSA-N 2 1 378.561 3.923 20 0 GHADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156646 891184129 /nfs/dbraw/zinc/18/41/29/891184129.db2.gz KVZCDIFNMGONHP-LMMKCTJWSA-N 2 1 378.561 3.923 20 0 GHADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156646 891184135 /nfs/dbraw/zinc/18/41/35/891184135.db2.gz KVZCDIFNMGONHP-LMMKCTJWSA-N 2 1 378.561 3.923 20 0 GHADMP C[C@H](c1cccs1)c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872175581 891199054 /nfs/dbraw/zinc/19/90/54/891199054.db2.gz NRZZTBRXLKJGEK-MRXNPFEDSA-N 2 1 382.533 3.819 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170696642 891265569 /nfs/dbraw/zinc/26/55/69/891265569.db2.gz GJNORYDBBBYRFK-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170696642 891265583 /nfs/dbraw/zinc/26/55/83/891265583.db2.gz GJNORYDBBBYRFK-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170696642 891265599 /nfs/dbraw/zinc/26/55/99/891265599.db2.gz GJNORYDBBBYRFK-QMHWCDLVSA-N 2 1 390.518 3.502 20 0 GHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000128239239 891497045 /nfs/dbraw/zinc/49/70/45/891497045.db2.gz OTQMBOVOBRCXFP-NRFANRHFSA-N 2 1 381.564 3.944 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)C1CCCCC1 ZINC000497400030 891499246 /nfs/dbraw/zinc/49/92/46/891499246.db2.gz HYYVNIVQGWYUTE-CVDCTZTESA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)C1CCCCC1 ZINC000497400030 891499256 /nfs/dbraw/zinc/49/92/56/891499256.db2.gz HYYVNIVQGWYUTE-CVDCTZTESA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)C1CCCCC1 ZINC000497400030 891499265 /nfs/dbraw/zinc/49/92/65/891499265.db2.gz HYYVNIVQGWYUTE-CVDCTZTESA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1F ZINC000128268023 891539840 /nfs/dbraw/zinc/53/98/40/891539840.db2.gz ZPSKGQJRWBKEDL-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1cc(Cl)sc1Cl ZINC000873247579 891548369 /nfs/dbraw/zinc/54/83/69/891548369.db2.gz PUNVCUAXLSJDEC-JTQLQIEISA-N 2 1 382.320 3.945 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH+]1CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC1)C2 ZINC001168270672 891662433 /nfs/dbraw/zinc/66/24/33/891662433.db2.gz CXLKTDHIZFGVDJ-NHCUHLMSSA-N 2 1 396.531 3.511 20 0 GHADMP C[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262662117 892393109 /nfs/dbraw/zinc/39/31/09/892393109.db2.gz YQLYPGXSBIYBPW-YCADQPJXSA-N 2 1 379.548 3.595 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC)C3(C(=O)OC)CCC3)CC2)cs1 ZINC000497806946 892475390 /nfs/dbraw/zinc/47/53/90/892475390.db2.gz HYIKNWTVNMQISD-SFHVURJKSA-N 2 1 393.597 3.629 20 0 GHADMP CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000125411108 892612190 /nfs/dbraw/zinc/61/21/90/892612190.db2.gz SPIYTZBQBUVBEF-DEOSSOPVSA-N 2 1 382.548 3.804 20 0 GHADMP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508689356 892637780 /nfs/dbraw/zinc/63/77/80/892637780.db2.gz GFVGYEHUAINEHG-WPYKKVEZSA-N 2 1 393.579 3.544 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814676036 893057096 /nfs/dbraw/zinc/05/70/96/893057096.db2.gz YSCMHKAIPQAYQH-SLFFLAALSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814676036 893057116 /nfs/dbraw/zinc/05/71/16/893057116.db2.gz YSCMHKAIPQAYQH-SLFFLAALSA-N 2 1 379.589 3.830 20 0 GHADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498073135 893114198 /nfs/dbraw/zinc/11/41/98/893114198.db2.gz HETQGFFXZLXEEW-AYBZRNKSSA-N 2 1 385.474 3.722 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000918121774 893199006 /nfs/dbraw/zinc/19/90/06/893199006.db2.gz MZWCNMDWYHGUGB-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000876908919 893382216 /nfs/dbraw/zinc/38/22/16/893382216.db2.gz SHROOJPOABFGRP-POAQFYNOSA-N 2 1 377.573 3.771 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000536658563 893437849 /nfs/dbraw/zinc/43/78/49/893437849.db2.gz GJUTWKCEDMAWOU-WIYYLYMNSA-N 2 1 383.536 3.974 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000536658563 893437860 /nfs/dbraw/zinc/43/78/60/893437860.db2.gz GJUTWKCEDMAWOU-WIYYLYMNSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000536658563 893437873 /nfs/dbraw/zinc/43/78/73/893437873.db2.gz GJUTWKCEDMAWOU-WIYYLYMNSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000536658563 893437882 /nfs/dbraw/zinc/43/78/82/893437882.db2.gz GJUTWKCEDMAWOU-WIYYLYMNSA-N 2 1 383.536 3.974 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000536696882 893565597 /nfs/dbraw/zinc/56/55/97/893565597.db2.gz FMHNTKVFLPJVIZ-IBGZPJMESA-N 2 1 381.586 3.565 20 0 GHADMP Cc1cc(Cl)ccc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000129566340 893642001 /nfs/dbraw/zinc/64/20/01/893642001.db2.gz XANMTRHHARUFMG-FQEVSTJZSA-N 2 1 385.939 3.636 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N([C@@H](C)c3ccccc3)C3CC3)CC2)CC1 ZINC000563372828 893673611 /nfs/dbraw/zinc/67/36/11/893673611.db2.gz CVRQYZVMDIPVMK-IBGZPJMESA-N 2 1 383.580 3.935 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000563382810 893683833 /nfs/dbraw/zinc/68/38/33/893683833.db2.gz IUXHUPHJVBVBSC-UHFFFAOYSA-N 2 1 385.552 3.610 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCO1 ZINC000459509364 893700977 /nfs/dbraw/zinc/70/09/77/893700977.db2.gz VIGOOZDBEWKOOO-IBGZPJMESA-N 2 1 394.563 3.824 20 0 GHADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536834881 893907726 /nfs/dbraw/zinc/90/77/26/893907726.db2.gz SQEXOADWBQEOAA-HKUYNNGSSA-N 2 1 381.923 3.603 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459743984 894169286 /nfs/dbraw/zinc/16/92/86/894169286.db2.gz XJLUHXANOPTQDT-AWEZNQCLSA-N 2 1 385.346 3.678 20 0 GHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049292 894266894 /nfs/dbraw/zinc/26/68/94/894266894.db2.gz APUCWSPPXXSERG-FPOVZHCZSA-N 2 1 387.568 3.603 20 0 GHADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049292 894266907 /nfs/dbraw/zinc/26/69/07/894266907.db2.gz APUCWSPPXXSERG-FPOVZHCZSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1 ZINC000563975185 894390078 /nfs/dbraw/zinc/39/00/78/894390078.db2.gz SBONDCKGXDCBBV-UHFFFAOYSA-N 2 1 396.579 3.720 20 0 GHADMP Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000564131301 894634190 /nfs/dbraw/zinc/63/41/90/894634190.db2.gz BMPICYWDUMPSNV-VXKWHMMOSA-N 2 1 377.532 3.778 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564131301 894634199 /nfs/dbraw/zinc/63/41/99/894634199.db2.gz BMPICYWDUMPSNV-VXKWHMMOSA-N 2 1 377.532 3.778 20 0 GHADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000564131301 894634205 /nfs/dbraw/zinc/63/42/05/894634205.db2.gz BMPICYWDUMPSNV-VXKWHMMOSA-N 2 1 377.532 3.778 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000564236648 894754186 /nfs/dbraw/zinc/75/41/86/894754186.db2.gz BUGTYGFYBVCOPD-OEMFJLHTSA-N 2 1 386.580 3.853 20 0 GHADMP CCN(C(=O)NCC[NH+]1CC=C(C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460217938 894876232 /nfs/dbraw/zinc/87/62/32/894876232.db2.gz SCQVRPROXSRQKA-IFMALSPDSA-N 2 1 384.568 3.505 20 0 GHADMP CCN(C(=O)NCC[N@H+]1CC=C(C)CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000460217938 894876247 /nfs/dbraw/zinc/87/62/47/894876247.db2.gz SCQVRPROXSRQKA-IFMALSPDSA-N 2 1 384.568 3.505 20 0 GHADMP CCN(C(=O)NCC[N@@H+]1CC=C(C)CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000460217938 894876253 /nfs/dbraw/zinc/87/62/53/894876253.db2.gz SCQVRPROXSRQKA-IFMALSPDSA-N 2 1 384.568 3.505 20 0 GHADMP O=c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000564454456 895002975 /nfs/dbraw/zinc/00/29/75/895002975.db2.gz SNURNOYOBFTPBO-SJORKVTESA-N 2 1 394.544 3.885 20 0 GHADMP O=c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000564454456 895002992 /nfs/dbraw/zinc/00/29/92/895002992.db2.gz SNURNOYOBFTPBO-SJORKVTESA-N 2 1 394.544 3.885 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000564933548 895313743 /nfs/dbraw/zinc/31/37/43/895313743.db2.gz BQOKNURZYDGRJT-STZQEDGTSA-N 2 1 379.548 3.882 20 0 GHADMP COc1ccc(COCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000564958675 895323774 /nfs/dbraw/zinc/32/37/74/895323774.db2.gz IVBUBHYQDJBZGF-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP COc1ccc(COCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000564958675 895323791 /nfs/dbraw/zinc/32/37/91/895323791.db2.gz IVBUBHYQDJBZGF-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1)c1ccc(C)cc1 ZINC000564970665 895336300 /nfs/dbraw/zinc/33/63/00/895336300.db2.gz MUMBFHUDAQZCBW-MOPGFXCFSA-N 2 1 398.576 3.958 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1)c1ccc(C)cc1 ZINC000564970665 895336316 /nfs/dbraw/zinc/33/63/16/895336316.db2.gz MUMBFHUDAQZCBW-MOPGFXCFSA-N 2 1 398.576 3.958 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000565037274 895361417 /nfs/dbraw/zinc/36/14/17/895361417.db2.gz JJJTZBPIDAUEMH-SFHVURJKSA-N 2 1 386.565 3.629 20 0 GHADMP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000817275215 895459273 /nfs/dbraw/zinc/45/92/73/895459273.db2.gz XTGUURLJWXVHQO-SFTDATJTSA-N 2 1 386.561 3.668 20 0 GHADMP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000817275215 895459283 /nfs/dbraw/zinc/45/92/83/895459283.db2.gz XTGUURLJWXVHQO-SFTDATJTSA-N 2 1 386.561 3.668 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCSCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000565389711 895584537 /nfs/dbraw/zinc/58/45/37/895584537.db2.gz FTKOMPFPUCUQFN-WOJBJXKFSA-N 2 1 392.609 3.510 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000128518521 895759138 /nfs/dbraw/zinc/75/91/38/895759138.db2.gz IKHMGHMTMDFFSB-UHFFFAOYSA-N 2 1 389.503 3.817 20 0 GHADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817892879 895950887 /nfs/dbraw/zinc/95/08/87/895950887.db2.gz WHRKYTBXPUVOOR-MJGOQNOKSA-N 2 1 391.284 3.934 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902195 895955777 /nfs/dbraw/zinc/95/57/77/895955777.db2.gz KPCZIZXWIBQAMM-QTLGCAHFSA-N 2 1 390.527 3.847 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000565887480 895959343 /nfs/dbraw/zinc/95/93/43/895959343.db2.gz RVDUKMVBKWHQJW-GMAHTHKFSA-N 2 1 392.547 3.972 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000566132591 896130680 /nfs/dbraw/zinc/13/06/80/896130680.db2.gz YRJQJZNQLIRSNM-KSNOWIBYSA-N 2 1 394.559 3.702 20 0 GHADMP Cc1sc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000566244702 896194906 /nfs/dbraw/zinc/19/49/06/896194906.db2.gz WZBWUOGFVPBWBU-GFCCVEGCSA-N 2 1 392.956 3.770 20 0 GHADMP CC[N@@H+](C)[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)c1ccccc1 ZINC000289123289 914046386 /nfs/dbraw/zinc/04/63/86/914046386.db2.gz RACSDIOQVAEBCD-HXUWFJFHSA-N 2 1 380.492 3.718 20 0 GHADMP CC[N@H+](C)[C@@H](c1nc(-c2ccccc2OCC[NH+](C)C)no1)c1ccccc1 ZINC000289123289 914046360 /nfs/dbraw/zinc/04/63/60/914046360.db2.gz RACSDIOQVAEBCD-HXUWFJFHSA-N 2 1 380.492 3.718 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1 ZINC000818959829 896295905 /nfs/dbraw/zinc/29/59/05/896295905.db2.gz UQJUPNCGJUZSHC-FDDCHVKYSA-N 2 1 398.547 3.901 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000566430951 896308437 /nfs/dbraw/zinc/30/84/37/896308437.db2.gz MPBGNQZYMQRWQM-MRXNPFEDSA-N 2 1 393.522 3.681 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3cc(C)cc(C)c3)CC2)cs1 ZINC000819049426 896340119 /nfs/dbraw/zinc/34/01/19/896340119.db2.gz JNFPKMDYEFGNFN-NRFANRHFSA-N 2 1 387.593 3.858 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000819137372 896394454 /nfs/dbraw/zinc/39/44/54/896394454.db2.gz BRRVJDHMMOVQOF-KNQAVFIVSA-N 2 1 394.563 3.724 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000819137372 896394466 /nfs/dbraw/zinc/39/44/66/896394466.db2.gz BRRVJDHMMOVQOF-KNQAVFIVSA-N 2 1 394.563 3.724 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819283554 896526833 /nfs/dbraw/zinc/52/68/33/896526833.db2.gz KZCMLVSTYYMOLZ-LADGPHEKSA-N 2 1 382.548 3.545 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778554430 896570071 /nfs/dbraw/zinc/57/00/71/896570071.db2.gz YEVQXJWOLUIVCZ-OYDLWJJNSA-N 2 1 391.559 3.678 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136218884 896701918 /nfs/dbraw/zinc/70/19/18/896701918.db2.gz FVLZPMHMVGCRTE-ICSRJNTNSA-N 2 1 377.960 3.715 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001136258215 896936071 /nfs/dbraw/zinc/93/60/71/896936071.db2.gz PCKRBKPXEMCINK-HSZRJFAPSA-N 2 1 397.607 3.917 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000567213725 896973674 /nfs/dbraw/zinc/97/36/74/896973674.db2.gz ACGAYQQJGMTAMD-DHIUTWEWSA-N 2 1 382.548 3.627 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001136319109 897239581 /nfs/dbraw/zinc/23/95/81/897239581.db2.gz CJHIJZUKTLAVSH-DHIUTWEWSA-N 2 1 397.538 3.908 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2[nH+]ccc3ccc(C)cc32)CC1 ZINC000567607968 897290041 /nfs/dbraw/zinc/29/00/41/897290041.db2.gz LBWXCGINBGOLSM-UHFFFAOYSA-N 2 1 382.552 3.608 20 0 GHADMP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CCOCC2)cc1 ZINC000883189434 897354376 /nfs/dbraw/zinc/35/43/76/897354376.db2.gz HAGZUYNVTVIAIR-FGZHOGPDSA-N 2 1 376.516 3.526 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)c2ccccc2)CC1 ZINC001136363400 897454924 /nfs/dbraw/zinc/45/49/24/897454924.db2.gz XFQJYKAPLBTLJD-DEOSSOPVSA-N 2 1 393.575 3.750 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)c2ccccc2)CC1 ZINC001136363400 897454931 /nfs/dbraw/zinc/45/49/31/897454931.db2.gz XFQJYKAPLBTLJD-DEOSSOPVSA-N 2 1 393.575 3.750 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(-c4ccccn4)n2)C3)cc1 ZINC000883293609 897461729 /nfs/dbraw/zinc/46/17/29/897461729.db2.gz ZKBZNROEUUCOSH-KOUNCHBCSA-N 2 1 385.515 3.824 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccnc(-c4ccccn4)n2)C3)cc1 ZINC000883293609 897461735 /nfs/dbraw/zinc/46/17/35/897461735.db2.gz ZKBZNROEUUCOSH-KOUNCHBCSA-N 2 1 385.515 3.824 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc4c(s3)CCCCC4)CC2)CC1 ZINC000568308230 897729068 /nfs/dbraw/zinc/72/90/68/897729068.db2.gz RBMHFGGGRDDASU-UHFFFAOYSA-N 2 1 390.597 3.547 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000132438103 897785973 /nfs/dbraw/zinc/78/59/73/897785973.db2.gz ZNYYSSCNRWNHAH-UDEWTMQYSA-N 2 1 385.552 3.781 20 0 GHADMP COCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282841900 898009963 /nfs/dbraw/zinc/00/99/63/898009963.db2.gz VSAUNFHWXCJWOG-QGZVFWFLSA-N 2 1 385.508 3.590 20 0 GHADMP CCN(CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)CC(F)(F)F ZINC000568804073 898114298 /nfs/dbraw/zinc/11/42/98/898114298.db2.gz DGDHVNILZFQDLD-WOJBJXKFSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)CC(F)(F)F ZINC000568804073 898114303 /nfs/dbraw/zinc/11/43/03/898114303.db2.gz DGDHVNILZFQDLD-WOJBJXKFSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)CC(F)(F)F ZINC000568804073 898114310 /nfs/dbraw/zinc/11/43/10/898114310.db2.gz DGDHVNILZFQDLD-WOJBJXKFSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000568804072 898114534 /nfs/dbraw/zinc/11/45/34/898114534.db2.gz DGDHVNILZFQDLD-VQTJNVASSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000568804072 898114538 /nfs/dbraw/zinc/11/45/38/898114538.db2.gz DGDHVNILZFQDLD-VQTJNVASSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000568804072 898114544 /nfs/dbraw/zinc/11/45/44/898114544.db2.gz DGDHVNILZFQDLD-VQTJNVASSA-N 2 1 383.502 3.715 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000569038948 898292491 /nfs/dbraw/zinc/29/24/91/898292491.db2.gz NNIXXMYVKOWCFP-UHFFFAOYSA-N 2 1 377.882 3.817 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+](CC(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000569162346 898380265 /nfs/dbraw/zinc/38/02/65/898380265.db2.gz UTBKDGTUNKOZLN-UHFFFAOYSA-N 2 1 380.576 3.867 20 0 GHADMP CCCC1(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822452060 898380980 /nfs/dbraw/zinc/38/09/80/898380980.db2.gz VLKBGHFRCWXBLF-SFHVURJKSA-N 2 1 379.589 3.878 20 0 GHADMP CCCC1(C[NH2+]C2CC[NH+](CCOC)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822457068 898384480 /nfs/dbraw/zinc/38/44/80/898384480.db2.gz WUEKTEOILIZGCL-UHFFFAOYSA-N 2 1 397.604 3.504 20 0 GHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000569222695 898442824 /nfs/dbraw/zinc/44/28/24/898442824.db2.gz MSUOJYJLDARUKG-POAQFYNOSA-N 2 1 392.613 3.503 20 0 GHADMP CO[C@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OC)C(C)(C)C3)c2)CC1(C)C ZINC000569545650 898769166 /nfs/dbraw/zinc/76/91/66/898769166.db2.gz LYCBZAWLCULKFV-SFTDATJTSA-N 2 1 389.584 3.575 20 0 GHADMP CC(C)[C@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)[C@H](C)[NH3+] ZINC000822977134 898769612 /nfs/dbraw/zinc/76/96/12/898769612.db2.gz PGVMUXNBQWASGN-KSSFIOAISA-N 2 1 391.947 3.619 20 0 GHADMP CC(C)[C@@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)[C@@H](C)[NH3+] ZINC000822977135 898769977 /nfs/dbraw/zinc/76/99/77/898769977.db2.gz PGVMUXNBQWASGN-RDTXWAMCSA-N 2 1 391.947 3.619 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4Cl)s3)C2)nn1 ZINC000569691678 898889554 /nfs/dbraw/zinc/88/95/54/898889554.db2.gz PFSINPIYUPYJAQ-OAHLLOKOSA-N 2 1 387.940 3.956 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCCCCCCC[NH+]4CCCC4)cc3c2C1 ZINC000823439907 899028963 /nfs/dbraw/zinc/02/89/63/899028963.db2.gz XHFSGBYLYIPIBA-UHFFFAOYSA-N 2 1 396.579 3.932 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NCCCCCCC[NH+]4CCCC4)cc3c2C1 ZINC000823439907 899028979 /nfs/dbraw/zinc/02/89/79/899028979.db2.gz XHFSGBYLYIPIBA-UHFFFAOYSA-N 2 1 396.579 3.932 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001136806031 899346072 /nfs/dbraw/zinc/34/60/72/899346072.db2.gz BUEPBZRJMMHCFG-IEXUWNMDSA-N 2 1 391.559 3.674 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001136806030 899346693 /nfs/dbraw/zinc/34/66/93/899346693.db2.gz BUEPBZRJMMHCFG-FOVJLYNBSA-N 2 1 391.559 3.674 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000570633016 899456503 /nfs/dbraw/zinc/45/65/03/899456503.db2.gz UJZZHFZAOISROW-NEPJUHHUSA-N 2 1 390.742 3.907 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000570633016 899456506 /nfs/dbraw/zinc/45/65/06/899456506.db2.gz UJZZHFZAOISROW-NEPJUHHUSA-N 2 1 390.742 3.907 20 0 GHADMP C[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000646249173 914352490 /nfs/dbraw/zinc/35/24/90/914352490.db2.gz OXXWFQPTNWWCIG-OIBXWCBGSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000824644991 899735414 /nfs/dbraw/zinc/73/54/14/899735414.db2.gz VXWRKMOMMTZHBZ-IAGOWNOFSA-N 2 1 393.547 3.724 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024049 900113791 /nfs/dbraw/zinc/11/37/91/900113791.db2.gz ONVZXZLIDLUFKV-XMMPIXPASA-N 2 1 392.543 3.972 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329389 900703343 /nfs/dbraw/zinc/70/33/43/900703343.db2.gz NHOVUYGUKRNSKW-MGPUTAFESA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329389 900703357 /nfs/dbraw/zinc/70/33/57/900703357.db2.gz NHOVUYGUKRNSKW-MGPUTAFESA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329389 900703370 /nfs/dbraw/zinc/70/33/70/900703370.db2.gz NHOVUYGUKRNSKW-MGPUTAFESA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)c3ccc(F)cc3F)C2)s1 ZINC000844329389 900703384 /nfs/dbraw/zinc/70/33/84/900703384.db2.gz NHOVUYGUKRNSKW-MGPUTAFESA-N 2 1 380.504 3.822 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCNC(=O)OC(C)(C)C)C2)s1 ZINC000844327857 900734196 /nfs/dbraw/zinc/73/41/96/900734196.db2.gz UTGYBGKPFFBOMI-KRWDZBQOSA-N 2 1 381.586 3.725 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCNC(=O)OC(C)(C)C)C2)s1 ZINC000844327857 900734202 /nfs/dbraw/zinc/73/42/02/900734202.db2.gz UTGYBGKPFFBOMI-KRWDZBQOSA-N 2 1 381.586 3.725 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCNC(=O)OC(C)(C)C)C2)s1 ZINC000844327857 900734206 /nfs/dbraw/zinc/73/42/06/900734206.db2.gz UTGYBGKPFFBOMI-KRWDZBQOSA-N 2 1 381.586 3.725 20 0 GHADMP Cc1ccc(NC(=O)Cc2nc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000574162592 900800950 /nfs/dbraw/zinc/80/09/50/900800950.db2.gz NVPRDQQPYRHTQP-KRWDZBQOSA-N 2 1 398.576 3.597 20 0 GHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccn2)c1C ZINC000574981309 901078343 /nfs/dbraw/zinc/07/83/43/901078343.db2.gz VZCDQUAXRWOHAF-NJDAHSKKSA-N 2 1 381.520 3.737 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000886503761 901091936 /nfs/dbraw/zinc/09/19/36/901091936.db2.gz DDPPWCRGGOQMEI-YLJYHZDGSA-N 2 1 396.535 3.669 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000886503761 901091944 /nfs/dbraw/zinc/09/19/44/901091944.db2.gz DDPPWCRGGOQMEI-YLJYHZDGSA-N 2 1 396.535 3.669 20 0 GHADMP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC[NH2+]CC1 ZINC000575399267 901224302 /nfs/dbraw/zinc/22/43/02/901224302.db2.gz YSCVSLWWLQDIRD-FNXXIHLHSA-N 2 1 395.950 3.614 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000886711493 901241623 /nfs/dbraw/zinc/24/16/23/901241623.db2.gz XADOXOAYCAMOPW-PMVMPFDFSA-N 2 1 386.580 3.853 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000575768363 901286118 /nfs/dbraw/zinc/28/61/18/901286118.db2.gz UCCIAMHNIOSOGH-VQTJNVASSA-N 2 1 383.502 3.959 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000844901879 901484206 /nfs/dbraw/zinc/48/42/06/901484206.db2.gz HTVISMQCKNQNJJ-ABSDTBQOSA-N 2 1 388.943 3.552 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@H](C)C1 ZINC000122331861 901762717 /nfs/dbraw/zinc/76/27/17/901762717.db2.gz OSBPLFIOLHIOEM-JPIVOGHISA-N 2 1 399.579 3.546 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000576198129 901796611 /nfs/dbraw/zinc/79/66/11/901796611.db2.gz ABNHTVDILNWSJG-ILXRZTDVSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)C[C@H]1C ZINC000576198129 901796620 /nfs/dbraw/zinc/79/66/20/901796620.db2.gz ABNHTVDILNWSJG-ILXRZTDVSA-N 2 1 375.340 3.538 20 0 GHADMP COC(=O)c1ccc([C@@H](C)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550778 902090606 /nfs/dbraw/zinc/09/06/06/902090606.db2.gz BGKKIFHQRZCKII-HZPDHXFCSA-N 2 1 376.522 3.951 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)o2)cc1 ZINC000576984436 902409339 /nfs/dbraw/zinc/40/93/39/902409339.db2.gz NBXRVOXDHWYITQ-HXUWFJFHSA-N 2 1 382.504 3.897 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3OCC3CC3)CC2)CC1 ZINC000577076305 902487086 /nfs/dbraw/zinc/48/70/86/902487086.db2.gz PUSVQJKNZVZGHB-UHFFFAOYSA-N 2 1 385.552 3.610 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000577271846 902636869 /nfs/dbraw/zinc/63/68/69/902636869.db2.gz CNIWUWBIWFLABM-CVDCTZTESA-N 2 1 394.563 3.899 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3cc[nH]c31)CC2 ZINC001144712191 902685743 /nfs/dbraw/zinc/68/57/43/902685743.db2.gz NSLDNWKUKOXUKX-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(OCC(C)C)c3)CC2)CC1 ZINC000577384773 902730053 /nfs/dbraw/zinc/73/00/53/902730053.db2.gz JCRXOKIZHRGBOM-UHFFFAOYSA-N 2 1 387.568 3.856 20 0 GHADMP COc1cc2c(cc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1)oc1ccccc12 ZINC000846226943 902799904 /nfs/dbraw/zinc/79/99/04/902799904.db2.gz FDINRAUKWPRVHM-UHFFFAOYSA-N 2 1 381.476 3.594 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000779014926 902867477 /nfs/dbraw/zinc/86/74/77/902867477.db2.gz RKENETOHJGKUPY-WBVHZDCISA-N 2 1 388.556 3.550 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000600834222 902979853 /nfs/dbraw/zinc/97/98/53/902979853.db2.gz OZGSYLIRAREHRZ-RTBURBONSA-N 2 1 390.572 3.616 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000132745396 903303247 /nfs/dbraw/zinc/30/32/47/903303247.db2.gz REGZLMMPGBUOBT-GJZGRUSLSA-N 2 1 397.357 3.609 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[NH+]1CC(C)C1 ZINC000577885447 903309469 /nfs/dbraw/zinc/30/94/69/903309469.db2.gz JZCZZWXUNIMZSC-SUMDDJOVSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[NH+]1CC(C)C1 ZINC000577885447 903309478 /nfs/dbraw/zinc/30/94/78/903309478.db2.gz JZCZZWXUNIMZSC-SUMDDJOVSA-N 2 1 397.485 3.545 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(OC)c1OCC(F)F ZINC000290540169 914725313 /nfs/dbraw/zinc/72/53/13/914725313.db2.gz RFMZSNKMDORPSI-QGZVFWFLSA-N 2 1 398.494 3.511 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC/C=C/c3ccc(Br)cc3)C2)CC1 ZINC000265354346 903831762 /nfs/dbraw/zinc/83/17/62/903831762.db2.gz KGZAGOZQKORPBZ-HQMUEHRGSA-N 2 1 392.385 3.564 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000646681752 914770581 /nfs/dbraw/zinc/77/05/81/914770581.db2.gz PYFNKPZXOXCQQM-HSZRJFAPSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000646681177 914771738 /nfs/dbraw/zinc/77/17/38/914771738.db2.gz LGTIDEINMUMQLW-JTHBVZDNSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000646681177 914771748 /nfs/dbraw/zinc/77/17/48/914771748.db2.gz LGTIDEINMUMQLW-JTHBVZDNSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000646681177 914771763 /nfs/dbraw/zinc/77/17/63/914771763.db2.gz LGTIDEINMUMQLW-JTHBVZDNSA-N 2 1 385.596 3.569 20 0 GHADMP c1nn(-c2cc[nH+]cc2)cc1-c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000578846954 904176375 /nfs/dbraw/zinc/17/63/75/904176375.db2.gz QJAZZCLUHILAQE-UHFFFAOYSA-N 2 1 386.459 3.970 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C3CCC(C(C)C)CC3)CC2)CC1 ZINC000579000286 904283928 /nfs/dbraw/zinc/28/39/28/904283928.db2.gz BUEGJGJPFCEJGS-UHFFFAOYSA-N 2 1 377.617 3.856 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171481861 904723860 /nfs/dbraw/zinc/72/38/60/904723860.db2.gz JFQALHCIOYMGKB-ROUUACIJSA-N 2 1 378.507 3.834 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534238 904759456 /nfs/dbraw/zinc/75/94/56/904759456.db2.gz FOIKAOYATFKIJR-VGSWGCGISA-N 2 1 396.497 3.784 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CCc4c(C)cccc4C3)CC2)CC1 ZINC001171565096 904830249 /nfs/dbraw/zinc/83/02/49/904830249.db2.gz LBOFXOXGZDKYGP-QFIPXVFZSA-N 2 1 384.564 3.592 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631645 904853105 /nfs/dbraw/zinc/85/31/05/904853105.db2.gz LIMOJYDFJDKAAJ-WMZOPIPTSA-N 2 1 379.589 3.969 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)CC1(C)C ZINC001171638135 904927768 /nfs/dbraw/zinc/92/77/68/904927768.db2.gz SGMFGERSNMSTQR-QHCPKHFHSA-N 2 1 387.543 3.906 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC[C@@H]3C3CCC3)CC2)cc1 ZINC001171750024 904977558 /nfs/dbraw/zinc/97/75/58/904977558.db2.gz BBFFDQUSJYLYBA-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC[C@@H]3C3CCC3)CC2)cc1 ZINC001171750024 904977560 /nfs/dbraw/zinc/97/75/60/904977560.db2.gz BBFFDQUSJYLYBA-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC[C@@H]3C3CCC3)CC2)cc1 ZINC001171750024 904977570 /nfs/dbraw/zinc/97/75/70/904977570.db2.gz BBFFDQUSJYLYBA-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(C[NH+](C)C)c1 ZINC000646816019 914863440 /nfs/dbraw/zinc/86/34/40/914863440.db2.gz DOVWVQIPOJEYJW-OAQYLSRUSA-N 2 1 379.548 3.950 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000796345083 914875133 /nfs/dbraw/zinc/87/51/33/914875133.db2.gz ZTPBXKMIIGKVJK-CEWLAPEOSA-N 2 1 384.593 3.595 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000796345083 914875151 /nfs/dbraw/zinc/87/51/51/914875151.db2.gz ZTPBXKMIIGKVJK-CEWLAPEOSA-N 2 1 384.593 3.595 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171973106 905218693 /nfs/dbraw/zinc/21/86/93/905218693.db2.gz VYGZSROGSSPZCK-JOCHJYFZSA-N 2 1 380.532 3.935 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974096 905218820 /nfs/dbraw/zinc/21/88/20/905218820.db2.gz ACGKYIQCMYIEKX-NRFANRHFSA-N 2 1 395.547 3.917 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H]2CCN(Cc3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977488 905223658 /nfs/dbraw/zinc/22/36/58/905223658.db2.gz BRDYDNGFWNAAMA-FYYLOGMGSA-N 2 1 378.564 3.689 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171979750 905227766 /nfs/dbraw/zinc/22/77/66/905227766.db2.gz QNNWDDBMLRFMOS-GOTSBHOMSA-N 2 1 382.548 3.899 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171979750 905227773 /nfs/dbraw/zinc/22/77/73/905227773.db2.gz QNNWDDBMLRFMOS-GOTSBHOMSA-N 2 1 382.548 3.899 20 0 GHADMP CC1(C)C[C@H](N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171981078 905231794 /nfs/dbraw/zinc/23/17/94/905231794.db2.gz WCZSCNHBCRGXCH-YPAWHYETSA-N 2 1 393.579 3.996 20 0 GHADMP CC1(C)C[C@H](N2CCC([NH3+])(Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171980940 905232592 /nfs/dbraw/zinc/23/25/92/905232592.db2.gz UWUKQETYRQGZSA-HSZRJFAPSA-N 2 1 392.591 3.861 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984654 905242625 /nfs/dbraw/zinc/24/26/25/905242625.db2.gz OEBGENOVJYRFHW-VWNXMTODSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984654 905242647 /nfs/dbraw/zinc/24/26/47/905242647.db2.gz OEBGENOVJYRFHW-VWNXMTODSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984654 905242661 /nfs/dbraw/zinc/24/26/61/905242661.db2.gz OEBGENOVJYRFHW-VWNXMTODSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(C)(N3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171988019 905250134 /nfs/dbraw/zinc/25/01/34/905250134.db2.gz NVLWCEAZPLZQIW-JOCHJYFZSA-N 2 1 385.596 3.616 20 0 GHADMP O=c1ccc2c([nH]1)CC[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172060426 905260842 /nfs/dbraw/zinc/26/08/42/905260842.db2.gz AGYMUGDVIOEAEJ-MYGLTJDJSA-N 2 1 377.532 3.820 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC001172073431 905278425 /nfs/dbraw/zinc/27/84/25/905278425.db2.gz QPRMQPLHXBJLEK-WBDAEOGXSA-N 2 1 395.522 3.731 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N(c2ncccn2)C2CC[NH2+]CC2)C3)cc1 ZINC001172074238 905280458 /nfs/dbraw/zinc/28/04/58/905280458.db2.gz GMVQKSKHMAWPJT-NUNAXRQHSA-N 2 1 391.563 3.621 20 0 GHADMP O=C([C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074181 905281953 /nfs/dbraw/zinc/28/19/53/905281953.db2.gz GBGVPTIKUQQREZ-XQUALCHDSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074181 905281968 /nfs/dbraw/zinc/28/19/68/905281968.db2.gz GBGVPTIKUQQREZ-XQUALCHDSA-N 2 1 395.591 3.907 20 0 GHADMP O=C([C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)N1CCCC1 ZINC001172074181 905281985 /nfs/dbraw/zinc/28/19/85/905281985.db2.gz GBGVPTIKUQQREZ-XQUALCHDSA-N 2 1 395.591 3.907 20 0 GHADMP N=c1nc([C@@H]2CCC[NH2+]2)ccn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074998 905284142 /nfs/dbraw/zinc/28/41/42/905284142.db2.gz NHAAEBUPJBZCNJ-BQJUDKOJSA-N 2 1 377.536 3.545 20 0 GHADMP O=C(NC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CCC1 ZINC001172075692 905284806 /nfs/dbraw/zinc/28/48/06/905284806.db2.gz SELYANXQKMCKFM-BKFWDETESA-N 2 1 395.591 3.953 20 0 GHADMP OCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC001172076014 905288865 /nfs/dbraw/zinc/28/88/65/905288865.db2.gz GPQSZZUFMGUROS-BKFWDETESA-N 2 1 376.544 3.692 20 0 GHADMP Fc1cnc(O[C@@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001172084773 905298517 /nfs/dbraw/zinc/29/85/17/905298517.db2.gz DJVXUPFXTSYARK-CIAFKFPVSA-N 2 1 396.510 3.655 20 0 GHADMP Fc1cnc(O[C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084773 905298532 /nfs/dbraw/zinc/29/85/32/905298532.db2.gz DJVXUPFXTSYARK-CIAFKFPVSA-N 2 1 396.510 3.655 20 0 GHADMP Fc1cnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084773 905298547 /nfs/dbraw/zinc/29/85/47/905298547.db2.gz DJVXUPFXTSYARK-CIAFKFPVSA-N 2 1 396.510 3.655 20 0 GHADMP CC[NH+](CC)C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172086647 905303260 /nfs/dbraw/zinc/30/32/60/905303260.db2.gz HSCDVVKPAYBLJP-NAVOZUGXSA-N 2 1 385.596 3.615 20 0 GHADMP CCN1CC2(CC1=O)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172089683 905308276 /nfs/dbraw/zinc/30/82/76/905308276.db2.gz RNHMRYYHWDKKRW-JKHIJQBDSA-N 2 1 395.591 3.907 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098651 905319002 /nfs/dbraw/zinc/31/90/02/905319002.db2.gz GJPZQVFQQGUWBK-AUYGFBLUSA-N 2 1 391.600 3.875 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172100790 905322762 /nfs/dbraw/zinc/32/27/62/905322762.db2.gz UBACEPCBNWRVMN-LUPIEILUSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172100790 905322773 /nfs/dbraw/zinc/32/27/73/905322773.db2.gz UBACEPCBNWRVMN-LUPIEILUSA-N 2 1 377.573 3.771 20 0 GHADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063350 905327485 /nfs/dbraw/zinc/32/74/85/905327485.db2.gz YONCUKOSRCWGBO-NDBXHCKUSA-N 2 1 394.559 3.739 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@H](Oc3cccc(Br)c3)C1)C2 ZINC001172132749 905343774 /nfs/dbraw/zinc/34/37/74/905343774.db2.gz NSHKSXGTRRZHOG-VUHPKUFZSA-N 2 1 379.342 3.918 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@H](Oc3cccc(Br)c3)C1)C2 ZINC001172132749 905343792 /nfs/dbraw/zinc/34/37/92/905343792.db2.gz NSHKSXGTRRZHOG-VUHPKUFZSA-N 2 1 379.342 3.918 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@H](Oc3cccc(Br)c3)C1)C2 ZINC001172132749 905343808 /nfs/dbraw/zinc/34/38/08/905343808.db2.gz NSHKSXGTRRZHOG-VUHPKUFZSA-N 2 1 379.342 3.918 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001172111823 905359834 /nfs/dbraw/zinc/35/98/34/905359834.db2.gz WNQAUFFCFXDVTA-NEWJYFPISA-N 2 1 394.559 3.774 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](CO)Cc1ccc(OCc3ccccc3)cc1)C2 ZINC001172111823 905359853 /nfs/dbraw/zinc/35/98/53/905359853.db2.gz WNQAUFFCFXDVTA-NEWJYFPISA-N 2 1 394.559 3.774 20 0 GHADMP COCCN(C)[C@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115746 905367727 /nfs/dbraw/zinc/36/77/27/905367727.db2.gz ZUYXDLQMLXUAAH-PLACYPQZSA-N 2 1 379.976 3.564 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COCC3CC3)CC1)C2 ZINC001172118920 905374947 /nfs/dbraw/zinc/37/49/47/905374947.db2.gz ZEMNTFSPSCXQBF-KJJMTIBFSA-N 2 1 376.585 3.547 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COCC3CC3)CC1)C2 ZINC001172118920 905374962 /nfs/dbraw/zinc/37/49/62/905374962.db2.gz ZEMNTFSPSCXQBF-KJJMTIBFSA-N 2 1 376.585 3.547 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172120024 905379252 /nfs/dbraw/zinc/37/92/52/905379252.db2.gz IXRNPVGGVSCYRO-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)CS2 ZINC001172197844 905430101 /nfs/dbraw/zinc/43/01/01/905430101.db2.gz QMGJQBOOAOKBSD-FKBYEOEOSA-N 2 1 385.621 3.632 20 0 GHADMP COCCC[NH+]1CCC([NH2+]C2(Cc3ccncc3)CCC(F)(F)CC2)CC1 ZINC001172249024 905445508 /nfs/dbraw/zinc/44/55/08/905445508.db2.gz UBNBYMSVZRCLAM-UHFFFAOYSA-N 2 1 381.511 3.663 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001172255930 905450473 /nfs/dbraw/zinc/45/04/73/905450473.db2.gz OREWKUPATQZHJW-NRFANRHFSA-N 2 1 380.960 3.822 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H](OCc3ccc(Cl)cc3)C2)CC1 ZINC001172255930 905450487 /nfs/dbraw/zinc/45/04/87/905450487.db2.gz OREWKUPATQZHJW-NRFANRHFSA-N 2 1 380.960 3.822 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H](C)C1 ZINC000190006927 905479338 /nfs/dbraw/zinc/47/93/38/905479338.db2.gz NKQIHRULUSSMOK-VGSWGCGISA-N 2 1 398.547 3.508 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)[C@H](C)C1 ZINC000190006927 905479345 /nfs/dbraw/zinc/47/93/45/905479345.db2.gz NKQIHRULUSSMOK-VGSWGCGISA-N 2 1 398.547 3.508 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC[C@H]2C1 ZINC001172531899 905594618 /nfs/dbraw/zinc/59/46/18/905594618.db2.gz WBJDJNNIMVKFOC-JAXLGGSGSA-N 2 1 381.564 3.534 20 0 GHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172671959 905754921 /nfs/dbraw/zinc/75/49/21/905754921.db2.gz ZFUSVOOAOOEVGI-DEOSSOPVSA-N 2 1 391.559 3.774 20 0 GHADMP COC(=O)N1CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001172737177 905782553 /nfs/dbraw/zinc/78/25/53/905782553.db2.gz HWHGEJXDBPUUTO-VDGAXYAQSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)N1CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001172737177 905782561 /nfs/dbraw/zinc/78/25/61/905782561.db2.gz HWHGEJXDBPUUTO-VDGAXYAQSA-N 2 1 391.581 3.511 20 0 GHADMP COC(=O)N1CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)CC1 ZINC001172737177 905782570 /nfs/dbraw/zinc/78/25/70/905782570.db2.gz HWHGEJXDBPUUTO-VDGAXYAQSA-N 2 1 391.581 3.511 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CCOCC4)CC3)cc2)CC1 ZINC001173042147 906112630 /nfs/dbraw/zinc/11/26/30/906112630.db2.gz VRSDLAOBOFFIEW-UHFFFAOYSA-N 2 1 385.596 3.653 20 0 GHADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](C4CCC5(CCOCC5)CC4)CC3)C2)co1 ZINC001173045411 906114466 /nfs/dbraw/zinc/11/44/66/906114466.db2.gz GOQPFFXQZMHCFQ-UHFFFAOYSA-N 2 1 388.552 3.686 20 0 GHADMP c1cc(C[N@H+]2CCOC3(CC[NH+](C4CCC5(CCOCC5)CC4)CC3)C2)co1 ZINC001173045411 906114473 /nfs/dbraw/zinc/11/44/73/906114473.db2.gz GOQPFFXQZMHCFQ-UHFFFAOYSA-N 2 1 388.552 3.686 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001173073370 906167478 /nfs/dbraw/zinc/16/74/78/906167478.db2.gz NNOZPPOQLDKOPM-PKOBYXMFSA-N 2 1 388.556 3.736 20 0 GHADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001173109535 906195087 /nfs/dbraw/zinc/19/50/87/906195087.db2.gz CPKHJYQHDQHWBR-JRJYRQGGSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001173109535 906195094 /nfs/dbraw/zinc/19/50/94/906195094.db2.gz CPKHJYQHDQHWBR-JRJYRQGGSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001173109535 906195104 /nfs/dbraw/zinc/19/51/04/906195104.db2.gz CPKHJYQHDQHWBR-JRJYRQGGSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CC(=O)N(c4ccc(OC)cc4)C3)C2)CC1 ZINC001173109054 906195134 /nfs/dbraw/zinc/19/51/34/906195134.db2.gz FGGXTGDZVFLNOK-IMQCZEGASA-N 2 1 399.579 3.777 20 0 GHADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](CC)CC)CC2)Cc2cn(CC3CC3)nc21 ZINC001173109710 906196494 /nfs/dbraw/zinc/19/64/94/906196494.db2.gz LNMBDUNHGLWRIU-ITAUSPCMSA-N 2 1 388.600 3.882 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)CC1 ZINC001173111269 906199008 /nfs/dbraw/zinc/19/90/08/906199008.db2.gz URGCOTHEYCJVNZ-MQSUGXTHSA-N 2 1 397.607 3.904 20 0 GHADMP CCSC[C@@H](C)[NH+]1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001173303091 906360454 /nfs/dbraw/zinc/36/04/54/906360454.db2.gz WROCLGBWPMOZGW-QUCCMNQESA-N 2 1 377.598 3.526 20 0 GHADMP CCSC[C@H](C)[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001173303083 906361107 /nfs/dbraw/zinc/36/11/07/906361107.db2.gz WROCLGBWPMOZGW-AZUAARDMSA-N 2 1 377.598 3.526 20 0 GHADMP CCSC[C@H](C)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001173287613 906369315 /nfs/dbraw/zinc/36/93/15/906369315.db2.gz OARKIIHYIOFGBF-INIZCTEOSA-N 2 1 385.618 3.582 20 0 GHADMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173417007 906445934 /nfs/dbraw/zinc/44/59/34/906445934.db2.gz KZRRFVCSIQDLIS-QGZVFWFLSA-N 2 1 377.960 3.786 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@@H](C)C1 ZINC001173418027 906447519 /nfs/dbraw/zinc/44/75/19/906447519.db2.gz JLBHGPJDRNUZSF-OXJNMPFZSA-N 2 1 377.960 3.653 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ncc(Br)s3)CC2)nc(C)[nH+]1 ZINC000179237449 906453277 /nfs/dbraw/zinc/45/32/77/906453277.db2.gz QRCMIMBEOTUACE-NSHDSACASA-N 2 1 396.358 3.632 20 0 GHADMP Cc1cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1F ZINC000365911669 921244240 /nfs/dbraw/zinc/24/42/40/921244240.db2.gz KXDCYNNODDDJAQ-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCN(CC(F)(F)F)CC1 ZINC001173672972 906609586 /nfs/dbraw/zinc/60/95/86/906609586.db2.gz FNKZNUCCNSWVIG-UHFFFAOYSA-N 2 1 383.502 3.857 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734257 906676238 /nfs/dbraw/zinc/67/62/38/906676238.db2.gz HYQRYUDNYRCOFV-WDJPJFJCSA-N 2 1 392.543 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734257 906676241 /nfs/dbraw/zinc/67/62/41/906676241.db2.gz HYQRYUDNYRCOFV-WDJPJFJCSA-N 2 1 392.543 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734257 906676254 /nfs/dbraw/zinc/67/62/54/906676254.db2.gz HYQRYUDNYRCOFV-WDJPJFJCSA-N 2 1 392.543 3.858 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001174761736 907211258 /nfs/dbraw/zinc/21/12/58/907211258.db2.gz WYVUGOQHZPOPPH-GMAHTHKFSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001174761736 907211270 /nfs/dbraw/zinc/21/12/70/907211270.db2.gz WYVUGOQHZPOPPH-GMAHTHKFSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC001174761736 907211285 /nfs/dbraw/zinc/21/12/85/907211285.db2.gz WYVUGOQHZPOPPH-GMAHTHKFSA-N 2 1 383.580 3.684 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648148 907787805 /nfs/dbraw/zinc/78/78/05/907787805.db2.gz VZQWLNIWBQICJT-TZIWHRDSSA-N 2 1 384.520 3.511 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000187026742 908022538 /nfs/dbraw/zinc/02/25/38/908022538.db2.gz SXDMUJCPTSRGDF-DYXWJJEUSA-N 2 1 389.584 3.864 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000187026742 908022554 /nfs/dbraw/zinc/02/25/54/908022554.db2.gz SXDMUJCPTSRGDF-DYXWJJEUSA-N 2 1 389.584 3.864 20 0 GHADMP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192934689 908024557 /nfs/dbraw/zinc/02/45/57/908024557.db2.gz NMMVYBDSLMNGHQ-QNGMFEMESA-N 2 1 387.568 3.934 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000187306804 908071609 /nfs/dbraw/zinc/07/16/09/908071609.db2.gz LLMCOIMDKSYKMA-GOTSBHOMSA-N 2 1 395.547 3.615 20 0 GHADMP C[NH+](C)C1(C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CCCCC1 ZINC001177065912 908390157 /nfs/dbraw/zinc/39/01/57/908390157.db2.gz HPJPSPQJIPUAPY-AWEZNQCLSA-N 2 1 381.483 3.686 20 0 GHADMP CCCOc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)c1 ZINC001177103872 908408166 /nfs/dbraw/zinc/40/81/66/908408166.db2.gz CEQZGARCFGHFQP-NRFANRHFSA-N 2 1 387.593 3.924 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000633713976 908439926 /nfs/dbraw/zinc/43/99/26/908439926.db2.gz NUKKEJQITKXYMK-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000633713976 908439936 /nfs/dbraw/zinc/43/99/36/908439936.db2.gz NUKKEJQITKXYMK-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000633713976 908439943 /nfs/dbraw/zinc/43/99/43/908439943.db2.gz NUKKEJQITKXYMK-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001177294092 908499044 /nfs/dbraw/zinc/49/90/44/908499044.db2.gz DPQREMJJZZTNLK-NRFANRHFSA-N 2 1 395.591 3.944 20 0 GHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC001177318906 908524546 /nfs/dbraw/zinc/52/45/46/908524546.db2.gz JSSIXCOITVEGJC-LBPRGKRZSA-N 2 1 377.273 3.790 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(C)c2OC(F)F)C1 ZINC001177318906 908524564 /nfs/dbraw/zinc/52/45/64/908524564.db2.gz JSSIXCOITVEGJC-LBPRGKRZSA-N 2 1 377.273 3.790 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCS2 ZINC000191522547 908637467 /nfs/dbraw/zinc/63/74/67/908637467.db2.gz RERDOFRXYPYBRS-IBGZPJMESA-N 2 1 384.549 3.898 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000195135380 908971303 /nfs/dbraw/zinc/97/13/03/908971303.db2.gz BHHAMJFUFNEHQU-FPOVZHCZSA-N 2 1 377.532 3.986 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001178728640 909223471 /nfs/dbraw/zinc/22/34/71/909223471.db2.gz JVRSAQFENCVKKD-ZZHZOUHUSA-N 2 1 395.591 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001179925135 909808789 /nfs/dbraw/zinc/80/87/89/909808789.db2.gz NJWWMQSFTIHPQB-CMKODMSKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001179925135 909808798 /nfs/dbraw/zinc/80/87/98/909808798.db2.gz NJWWMQSFTIHPQB-CMKODMSKSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001179925135 909808807 /nfs/dbraw/zinc/80/88/07/909808807.db2.gz NJWWMQSFTIHPQB-CMKODMSKSA-N 2 1 377.573 3.582 20 0 GHADMP COc1ccsc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268786708 910017669 /nfs/dbraw/zinc/01/76/69/910017669.db2.gz KOHOUWZUSNQBBG-UHFFFAOYSA-N 2 1 390.549 3.536 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nnc2n1CCCCC2 ZINC000268850247 910045043 /nfs/dbraw/zinc/04/50/43/910045043.db2.gz OZRITOJGGVQUKA-PXNSSMCTSA-N 2 1 385.556 3.747 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268873753 910054928 /nfs/dbraw/zinc/05/49/28/910054928.db2.gz JQBFSFGKMKQTSR-XXBNENTESA-N 2 1 395.547 3.640 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268873753 910054943 /nfs/dbraw/zinc/05/49/43/910054943.db2.gz JQBFSFGKMKQTSR-XXBNENTESA-N 2 1 395.547 3.640 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CCN(c4ccccc4)C3)CC2)CC1 ZINC000638137201 910062834 /nfs/dbraw/zinc/06/28/34/910062834.db2.gz SDJKDBAQFDAYJA-HSZRJFAPSA-N 2 1 398.639 3.641 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCN(c2ccccc2)C1 ZINC000638137201 910062850 /nfs/dbraw/zinc/06/28/50/910062850.db2.gz SDJKDBAQFDAYJA-HSZRJFAPSA-N 3 1 398.639 3.641 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCN(c2ccccc2)C1 ZINC000638137201 910062868 /nfs/dbraw/zinc/06/28/68/910062868.db2.gz SDJKDBAQFDAYJA-HSZRJFAPSA-N 3 1 398.639 3.641 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000268939436 910076658 /nfs/dbraw/zinc/07/66/58/910076658.db2.gz ZRCFJDSLVHYOJI-MRXNPFEDSA-N 2 1 376.932 3.652 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638358278 910131926 /nfs/dbraw/zinc/13/19/26/910131926.db2.gz ARGFJNZKXBICPT-MOXGXCLJSA-N 2 1 392.385 3.658 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)n1 ZINC000269098667 910139351 /nfs/dbraw/zinc/13/93/51/910139351.db2.gz SMZRLAIYTJXZGO-CVDCTZTESA-N 2 1 393.579 3.705 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc(C)n1 ZINC000269098667 910139358 /nfs/dbraw/zinc/13/93/58/910139358.db2.gz SMZRLAIYTJXZGO-CVDCTZTESA-N 2 1 393.579 3.705 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CCN(c4ccccc4)C3)CC2)oc1C ZINC000638524855 910170583 /nfs/dbraw/zinc/17/05/83/910170583.db2.gz SAKFQZAUEDQELP-OAQYLSRUSA-N 2 1 382.552 3.620 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cc(Cl)cc(Cl)c3N)CC2)nc(C)[nH+]1 ZINC000638874137 910262726 /nfs/dbraw/zinc/26/27/26/910262726.db2.gz POTOTDOEABIPBS-UHFFFAOYSA-N 2 1 380.323 3.741 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cs1)c1ccccc1 ZINC000639109249 910320093 /nfs/dbraw/zinc/32/00/93/910320093.db2.gz UIGSHEOEGPSJCV-UHFFFAOYSA-N 2 1 384.549 3.792 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)CC23CCC[NH+]2CCC3)cc1 ZINC001181108355 910539664 /nfs/dbraw/zinc/53/96/64/910539664.db2.gz APAQAWRNPFMMCD-OAQYLSRUSA-N 2 1 399.579 3.527 20 0 GHADMP CC[C@H](C)[N@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000270835551 910714938 /nfs/dbraw/zinc/71/49/38/910714938.db2.gz MJWTVRSLMSUNEY-AWEZNQCLSA-N 2 1 382.430 3.950 20 0 GHADMP CC[C@H](C)[N@@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000270835551 910714946 /nfs/dbraw/zinc/71/49/46/910714946.db2.gz MJWTVRSLMSUNEY-AWEZNQCLSA-N 2 1 382.430 3.950 20 0 GHADMP C[NH+]1C(C)(C)CC(NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)CC1(C)C ZINC001181492987 910794305 /nfs/dbraw/zinc/79/43/05/910794305.db2.gz AMPRDPVLTMFNOQ-UHFFFAOYSA-N 2 1 383.580 3.809 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c2c1OC(F)(F)O2 ZINC001181526377 910818512 /nfs/dbraw/zinc/81/85/12/910818512.db2.gz XOHATIWJFBNSPK-CVEARBPZSA-N 2 1 396.478 3.708 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000271415993 910895451 /nfs/dbraw/zinc/89/54/51/910895451.db2.gz OHXQDGBDASNSGD-NRFANRHFSA-N 2 1 386.584 3.767 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)CC1 ZINC001182239608 911362493 /nfs/dbraw/zinc/36/24/93/911362493.db2.gz HGVRVQOWPJTPPF-QHCPKHFHSA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001182239608 911362510 /nfs/dbraw/zinc/36/25/10/911362510.db2.gz HGVRVQOWPJTPPF-QHCPKHFHSA-N 2 1 379.548 3.802 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641857917 911551505 /nfs/dbraw/zinc/55/15/05/911551505.db2.gz LGEGJHIGRMUORU-HNNXBMFYSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000641857917 911551537 /nfs/dbraw/zinc/55/15/37/911551537.db2.gz LGEGJHIGRMUORU-HNNXBMFYSA-N 2 1 375.340 3.538 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1CC1CC1)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001182555409 911845780 /nfs/dbraw/zinc/84/57/80/911845780.db2.gz PDIMLFFSLNEMGB-QHCPKHFHSA-N 2 1 395.591 3.766 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182855166 912079886 /nfs/dbraw/zinc/07/98/86/912079886.db2.gz NCNKHAWOSAHOJM-GMAHTHKFSA-N 2 1 381.568 3.538 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182855166 912079903 /nfs/dbraw/zinc/07/99/03/912079903.db2.gz NCNKHAWOSAHOJM-GMAHTHKFSA-N 2 1 381.568 3.538 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182855166 912079928 /nfs/dbraw/zinc/07/99/28/912079928.db2.gz NCNKHAWOSAHOJM-GMAHTHKFSA-N 2 1 381.568 3.538 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947390 914944686 /nfs/dbraw/zinc/94/46/86/914944686.db2.gz YTADPAODSXGCQC-SGNDLWITSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947390 914944690 /nfs/dbraw/zinc/94/46/90/914944690.db2.gz YTADPAODSXGCQC-SGNDLWITSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000646947390 914944704 /nfs/dbraw/zinc/94/47/04/914944704.db2.gz YTADPAODSXGCQC-SGNDLWITSA-N 2 1 391.559 3.503 20 0 GHADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1 ZINC000647343895 915165246 /nfs/dbraw/zinc/16/52/46/915165246.db2.gz FKRMURFTTVDPKH-FCEUIQTBSA-N 2 1 379.548 3.956 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647479921 915291043 /nfs/dbraw/zinc/29/10/43/915291043.db2.gz YBNPCDMKVBTJRY-NZQKXSOJSA-N 2 1 393.531 3.912 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647479921 915291053 /nfs/dbraw/zinc/29/10/53/915291053.db2.gz YBNPCDMKVBTJRY-NZQKXSOJSA-N 2 1 393.531 3.912 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647975975 915457907 /nfs/dbraw/zinc/45/79/07/915457907.db2.gz IJMBIYSOKQJNEZ-DKKFBQAASA-N 2 1 377.960 3.617 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978478 915459735 /nfs/dbraw/zinc/45/97/35/915459735.db2.gz SSPGXLBKWIUNNE-RYQLBKOJSA-N 2 1 397.519 3.674 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978478 915459742 /nfs/dbraw/zinc/45/97/42/915459742.db2.gz SSPGXLBKWIUNNE-RYQLBKOJSA-N 2 1 397.519 3.674 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647987782 915465773 /nfs/dbraw/zinc/46/57/73/915465773.db2.gz ZLHHIIBDTMPLAB-OLZOCXBDSA-N 2 1 389.849 3.619 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000647987782 915465777 /nfs/dbraw/zinc/46/57/77/915465777.db2.gz ZLHHIIBDTMPLAB-OLZOCXBDSA-N 2 1 389.849 3.619 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000648029337 915487110 /nfs/dbraw/zinc/48/71/10/915487110.db2.gz BWSPZRFTJMNOHJ-UHFFFAOYSA-N 2 1 379.508 3.901 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccccc3Br)C2)CC1 ZINC000366868555 921788135 /nfs/dbraw/zinc/78/81/35/921788135.db2.gz YOMZRIJWGQNTLR-UHFFFAOYSA-N 2 1 394.357 3.586 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000648894341 915928567 /nfs/dbraw/zinc/92/85/67/915928567.db2.gz XYYOICRJTKEWDV-QUCCMNQESA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000648894341 915928571 /nfs/dbraw/zinc/92/85/71/915928571.db2.gz XYYOICRJTKEWDV-QUCCMNQESA-N 2 1 382.552 3.814 20 0 GHADMP CO[C@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](OC)CC3)ccc2F)CC1 ZINC000649421975 916149293 /nfs/dbraw/zinc/14/92/93/916149293.db2.gz YNXVTFVXQGUAGM-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP CO[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000649421975 916149304 /nfs/dbraw/zinc/14/93/04/916149304.db2.gz YNXVTFVXQGUAGM-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP CO[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000649421975 916149312 /nfs/dbraw/zinc/14/93/12/916149312.db2.gz YNXVTFVXQGUAGM-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP CSCc1cnc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)s1 ZINC000293468299 916217676 /nfs/dbraw/zinc/21/76/76/916217676.db2.gz DVSSIRDDFPNYFZ-UHFFFAOYSA-N 2 1 380.583 3.613 20 0 GHADMP CCO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OCC)[C@H](C)C3)c2)C[C@@H]1C ZINC000649992122 916603670 /nfs/dbraw/zinc/60/36/70/916603670.db2.gz HHNICJMLEICWRY-ZIIYYELXSA-N 2 1 389.584 3.575 20 0 GHADMP CCO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OCC)[C@H](C)C3)c2)C[C@@H]1C ZINC000649992122 916603682 /nfs/dbraw/zinc/60/36/82/916603682.db2.gz HHNICJMLEICWRY-ZIIYYELXSA-N 2 1 389.584 3.575 20 0 GHADMP CCO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OCC)[C@H](C)C3)c2)C[C@@H]1C ZINC000649992122 916603695 /nfs/dbraw/zinc/60/36/95/916603695.db2.gz HHNICJMLEICWRY-ZIIYYELXSA-N 2 1 389.584 3.575 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)C1 ZINC000650708386 917243779 /nfs/dbraw/zinc/24/37/79/917243779.db2.gz YXOBCJTYCFKYFI-VBQJREDUSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(-c4ccc(F)cc4)n3)C2)C1 ZINC000650705734 917244292 /nfs/dbraw/zinc/24/42/92/917244292.db2.gz UEODRSYHTLQRCU-SUMDDJOVSA-N 2 1 375.513 3.668 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)C1 ZINC000650707844 917245370 /nfs/dbraw/zinc/24/53/70/917245370.db2.gz OCTGTBPDGLWWHM-JJRVBVJISA-N 2 1 387.749 3.821 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796444318 917338451 /nfs/dbraw/zinc/33/84/51/917338451.db2.gz MJJYMVIFPIXDRU-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796444318 917338463 /nfs/dbraw/zinc/33/84/63/917338463.db2.gz MJJYMVIFPIXDRU-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000796444318 917338482 /nfs/dbraw/zinc/33/84/82/917338482.db2.gz MJJYMVIFPIXDRU-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796444318 917338501 /nfs/dbraw/zinc/33/85/01/917338501.db2.gz MJJYMVIFPIXDRU-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000796445335 917378868 /nfs/dbraw/zinc/37/88/68/917378868.db2.gz TVZJHLHNKDTNSO-URXFXBBRSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445335 917378881 /nfs/dbraw/zinc/37/88/81/917378881.db2.gz TVZJHLHNKDTNSO-URXFXBBRSA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC000796445335 917378894 /nfs/dbraw/zinc/37/88/94/917378894.db2.gz TVZJHLHNKDTNSO-URXFXBBRSA-N 2 1 399.579 3.841 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ncc(-c4ccccc4)n3C)CC2)nc(C)[nH+]1 ZINC000651243567 917544290 /nfs/dbraw/zinc/54/42/90/917544290.db2.gz GFNBFLLSMAPIQA-KRWDZBQOSA-N 2 1 390.535 3.814 20 0 GHADMP C[C@H]([N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1(C)CC1 ZINC001191464497 918030711 /nfs/dbraw/zinc/03/07/11/918030711.db2.gz LVOKNMKJVQQBIH-LPHOPBHVSA-N 2 1 377.960 3.714 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000296346938 918165030 /nfs/dbraw/zinc/16/50/30/918165030.db2.gz HGAFQYCKNJPRRR-QUCCMNQESA-N 2 1 385.939 3.859 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775493448 918345396 /nfs/dbraw/zinc/34/53/96/918345396.db2.gz SOIKXHOTDNTENW-NQIIRXRSSA-N 2 1 379.504 3.643 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1Cl ZINC000364188626 919221155 /nfs/dbraw/zinc/22/11/55/919221155.db2.gz YNCLEXDINJWRNX-UHFFFAOYSA-N 2 1 377.960 3.608 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000367864953 922341701 /nfs/dbraw/zinc/34/17/01/922341701.db2.gz CTUUXBAWHBUFCL-ZYGDZFMBSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000367864953 922341717 /nfs/dbraw/zinc/34/17/17/922341717.db2.gz CTUUXBAWHBUFCL-ZYGDZFMBSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000367864953 922341727 /nfs/dbraw/zinc/34/17/27/922341727.db2.gz CTUUXBAWHBUFCL-ZYGDZFMBSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1=O ZINC000903176725 922833907 /nfs/dbraw/zinc/83/39/07/922833907.db2.gz DHIRCMAILMPYPC-BFEZIHKWSA-N 2 1 385.527 3.625 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1=O ZINC000903176725 922833920 /nfs/dbraw/zinc/83/39/20/922833920.db2.gz DHIRCMAILMPYPC-BFEZIHKWSA-N 2 1 385.527 3.625 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000369924807 923745502 /nfs/dbraw/zinc/74/55/02/923745502.db2.gz DPINUQAVPGJPAQ-UHFFFAOYSA-N 2 1 394.563 3.763 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000370149055 923906440 /nfs/dbraw/zinc/90/64/40/923906440.db2.gz DRZSTWRHAJESNR-IBGZPJMESA-N 2 1 386.584 3.824 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c2ccccc2C1 ZINC000370367652 924057990 /nfs/dbraw/zinc/05/79/90/924057990.db2.gz QEFDEEBCAZEBBJ-DVECYGJZSA-N 2 1 379.548 3.980 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CC[NH2+]CC1 ZINC000370762897 924289119 /nfs/dbraw/zinc/28/91/19/924289119.db2.gz CNHVDGHUPKXTQT-YKSBVNFPSA-N 2 1 383.580 3.527 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000371116754 924434368 /nfs/dbraw/zinc/43/43/68/924434368.db2.gz HEWRMDCYTIJVGS-UTKZUKDTSA-N 2 1 395.551 3.615 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806746 924505427 /nfs/dbraw/zinc/50/54/27/924505427.db2.gz MGGTVGGPTVHFJK-PUHATCMVSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806746 924505433 /nfs/dbraw/zinc/50/54/33/924505433.db2.gz MGGTVGGPTVHFJK-PUHATCMVSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806746 924505444 /nfs/dbraw/zinc/50/54/44/924505444.db2.gz MGGTVGGPTVHFJK-PUHATCMVSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806746 924505449 /nfs/dbraw/zinc/50/54/49/924505449.db2.gz MGGTVGGPTVHFJK-PUHATCMVSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)[C@H](C)C1 ZINC000677806746 924505455 /nfs/dbraw/zinc/50/54/55/924505455.db2.gz MGGTVGGPTVHFJK-PUHATCMVSA-N 2 1 387.612 3.766 20 0 GHADMP CC(=O)Nc1cccc2c1CC[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000678203983 924662445 /nfs/dbraw/zinc/66/24/45/924662445.db2.gz XKCVEOADTCUDMM-UHFFFAOYSA-N 2 1 393.531 3.678 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678234921 924679431 /nfs/dbraw/zinc/67/94/31/924679431.db2.gz WIENOPXOTSJSIO-UHFFFAOYSA-N 2 1 391.559 3.923 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000679174378 925051787 /nfs/dbraw/zinc/05/17/87/925051787.db2.gz IBOBCCSSOFOZBZ-FQEVSTJZSA-N 2 1 386.584 3.731 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]2CCCO2)cc1 ZINC000679333756 925098025 /nfs/dbraw/zinc/09/80/25/925098025.db2.gz CRNSUWAMSOMREM-MKXGPGLRSA-N 2 1 379.342 3.886 20 0 GHADMP Brc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCCO2)cc1 ZINC000679333756 925098036 /nfs/dbraw/zinc/09/80/36/925098036.db2.gz CRNSUWAMSOMREM-MKXGPGLRSA-N 2 1 379.342 3.886 20 0 GHADMP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000679333914 925098752 /nfs/dbraw/zinc/09/87/52/925098752.db2.gz WEWXFFVNQXCEQV-LZQZEXGQSA-N 2 1 381.358 3.991 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000680271366 925418470 /nfs/dbraw/zinc/41/84/70/925418470.db2.gz WDTPEJBOZDACIK-YTFSRNRJSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410335932 925541444 /nfs/dbraw/zinc/54/14/44/925541444.db2.gz BBYAFVLUVYNPIX-FQEVSTJZSA-N 2 1 388.600 3.790 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cncc2ccccc21 ZINC000372580489 925554009 /nfs/dbraw/zinc/55/40/09/925554009.db2.gz BIGIDRCXBOBKTB-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410362984 925567704 /nfs/dbraw/zinc/56/77/04/925567704.db2.gz FDKRSVADXCHQND-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410370022 925587869 /nfs/dbraw/zinc/58/78/69/925587869.db2.gz ZMULDGPTWNEJCX-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000410368022 925589742 /nfs/dbraw/zinc/58/97/42/925589742.db2.gz SNGWPEVJESZNOA-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000410368022 925589747 /nfs/dbraw/zinc/58/97/47/925589747.db2.gz SNGWPEVJESZNOA-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000410368022 925589756 /nfs/dbraw/zinc/58/97/56/925589756.db2.gz SNGWPEVJESZNOA-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000682107048 926013762 /nfs/dbraw/zinc/01/37/62/926013762.db2.gz CPHLOAARUYUESN-OAQYLSRUSA-N 2 1 380.536 3.529 20 0 GHADMP O=C1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]2N1C1CC1 ZINC000411402331 926363134 /nfs/dbraw/zinc/36/31/34/926363134.db2.gz ZZCVBZZUURVZLB-GGAORHGYSA-N 2 1 381.564 3.648 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000411548631 926512440 /nfs/dbraw/zinc/51/24/40/926512440.db2.gz FNOHKPGBIPXEHX-XBYSBRQOSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000411548631 926512446 /nfs/dbraw/zinc/51/24/46/926512446.db2.gz FNOHKPGBIPXEHX-XBYSBRQOSA-N 2 1 383.580 3.668 20 0 GHADMP COC(=O)C[C@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccn1 ZINC000411559147 926520911 /nfs/dbraw/zinc/52/09/11/926520911.db2.gz HGSNYAUKIWOLOK-QHCPKHFHSA-N 2 1 381.520 3.636 20 0 GHADMP Cc1cc(N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)nc(N)[nH+]1 ZINC000726786580 926852613 /nfs/dbraw/zinc/85/26/13/926852613.db2.gz DJXLVGNDZKCXCA-NRFANRHFSA-N 2 1 393.922 3.932 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412298539 927308933 /nfs/dbraw/zinc/30/89/33/927308933.db2.gz GAHGOMQQXMFPMU-QHCPKHFHSA-N 2 1 391.559 3.924 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000374868649 927628415 /nfs/dbraw/zinc/62/84/15/927628415.db2.gz MQLFEJIXCXYAJG-AZUAARDMSA-N 2 1 388.515 3.994 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[NH+]([C@@H](C)c4cccnc4)CC3)c2cc1OC ZINC000413133698 928243571 /nfs/dbraw/zinc/24/35/71/928243571.db2.gz CUPGWMCALFTBLC-INIZCTEOSA-N 2 1 378.476 3.530 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000752004832 928543755 /nfs/dbraw/zinc/54/37/55/928543755.db2.gz YVBQDHOXAPNJEX-BJKOFHAPSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000752004832 928543761 /nfs/dbraw/zinc/54/37/61/928543761.db2.gz YVBQDHOXAPNJEX-BJKOFHAPSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000752004832 928543771 /nfs/dbraw/zinc/54/37/71/928543771.db2.gz YVBQDHOXAPNJEX-BJKOFHAPSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000752004832 928543778 /nfs/dbraw/zinc/54/37/78/928543778.db2.gz YVBQDHOXAPNJEX-BJKOFHAPSA-N 2 1 392.543 3.889 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000467338130 928973639 /nfs/dbraw/zinc/97/36/39/928973639.db2.gz IFBVYBSSFZHQCN-RPWUZVMVSA-N 2 1 392.591 3.953 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467347619 928982162 /nfs/dbraw/zinc/98/21/62/928982162.db2.gz PEQPWMMGCZVZDR-AZUAARDMSA-N 2 1 377.960 3.748 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000467374651 929011480 /nfs/dbraw/zinc/01/14/80/929011480.db2.gz ZKYHEYMZLMPNPB-JLLPCOHGSA-N 2 1 393.575 3.889 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000467374651 929011487 /nfs/dbraw/zinc/01/14/87/929011487.db2.gz ZKYHEYMZLMPNPB-JLLPCOHGSA-N 2 1 393.575 3.889 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000544421600 929159580 /nfs/dbraw/zinc/15/95/80/929159580.db2.gz MOKMHDIBMVDTBZ-LQWHRVPQSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000544421600 929159589 /nfs/dbraw/zinc/15/95/89/929159589.db2.gz MOKMHDIBMVDTBZ-LQWHRVPQSA-N 2 1 387.543 3.872 20 0 GHADMP CC(C)N1CCc2nc(C[N@H+]3CCC[C@H]3[C@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543990 929183428 /nfs/dbraw/zinc/18/34/28/929183428.db2.gz SIHGUBZUMCODIW-FPAYPSAMSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H]3[C@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543990 929183434 /nfs/dbraw/zinc/18/34/34/929183434.db2.gz SIHGUBZUMCODIW-FPAYPSAMSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H]3[C@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543990 929183443 /nfs/dbraw/zinc/18/34/43/929183443.db2.gz SIHGUBZUMCODIW-FPAYPSAMSA-N 2 1 377.598 3.671 20 0 GHADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H]3[C@H]3C[C@H](C)CC[C@@H]3O)sc2C1 ZINC000467543990 929183446 /nfs/dbraw/zinc/18/34/46/929183446.db2.gz SIHGUBZUMCODIW-FPAYPSAMSA-N 2 1 377.598 3.671 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000753746188 929513883 /nfs/dbraw/zinc/51/38/83/929513883.db2.gz ADQCMVZYSVMHRX-UYAOXDASSA-N 2 1 387.568 3.934 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+]Cc2c[nH+]ccc2N(C)C)CCOCC1 ZINC000546075675 929829575 /nfs/dbraw/zinc/82/95/75/929829575.db2.gz NMXVEQARMUNGTE-UHFFFAOYSA-N 2 1 389.927 3.648 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000469424399 929874076 /nfs/dbraw/zinc/87/40/76/929874076.db2.gz MZQMAEMBHMRDKL-YADHBBJMSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000469424399 929874079 /nfs/dbraw/zinc/87/40/79/929874079.db2.gz MZQMAEMBHMRDKL-YADHBBJMSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000469424399 929874085 /nfs/dbraw/zinc/87/40/85/929874085.db2.gz MZQMAEMBHMRDKL-YADHBBJMSA-N 2 1 388.600 3.563 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440745 929889823 /nfs/dbraw/zinc/88/98/23/929889823.db2.gz MNKJLJQSFOHVLJ-YADHBBJMSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440745 929889827 /nfs/dbraw/zinc/88/98/27/929889827.db2.gz MNKJLJQSFOHVLJ-YADHBBJMSA-N 2 1 388.600 3.516 20 0 GHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469440745 929889834 /nfs/dbraw/zinc/88/98/34/929889834.db2.gz MNKJLJQSFOHVLJ-YADHBBJMSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000469756658 930138628 /nfs/dbraw/zinc/13/86/28/930138628.db2.gz HXVYHAARFHUXGV-MIOZMULLSA-N 2 1 391.559 3.710 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469756658 930138632 /nfs/dbraw/zinc/13/86/32/930138632.db2.gz HXVYHAARFHUXGV-MIOZMULLSA-N 2 1 391.559 3.710 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000758735502 930153093 /nfs/dbraw/zinc/15/30/93/930153093.db2.gz AUVUXTIXUAYASK-XZOQPEGZSA-N 2 1 398.595 3.776 20 0 GHADMP CC(C)[NH+](CCCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000470223128 930464410 /nfs/dbraw/zinc/46/44/10/930464410.db2.gz LKHKDNFDWGYPKM-PMACEKPBSA-N 2 1 389.584 3.535 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000470332468 930535485 /nfs/dbraw/zinc/53/54/85/930535485.db2.gz BRQGSEOCLATCLM-UHFFFAOYSA-N 2 1 391.559 3.923 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000470368824 930566171 /nfs/dbraw/zinc/56/61/71/930566171.db2.gz FXSXHNZNBJRJPA-SFTDATJTSA-N 2 1 385.458 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000470368824 930566181 /nfs/dbraw/zinc/56/61/81/930566181.db2.gz FXSXHNZNBJRJPA-SFTDATJTSA-N 2 1 385.458 3.522 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000470378391 930571990 /nfs/dbraw/zinc/57/19/90/930571990.db2.gz ZUXFBQROCBPQQJ-HDICACEKSA-N 2 1 377.532 3.698 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1OCCO ZINC000547505565 931079484 /nfs/dbraw/zinc/07/94/84/931079484.db2.gz ZLHTXPQRBZNKRT-IPJJNNNSSA-N 2 1 398.547 3.628 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000557114387 931216800 /nfs/dbraw/zinc/21/68/00/931216800.db2.gz NMWVRUJCFMPXQT-NZQKXSOJSA-N 2 1 398.595 3.831 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924657418 931465362 /nfs/dbraw/zinc/46/53/62/931465362.db2.gz CHARJBMMZQVHIC-QFIPXVFZSA-N 2 1 386.971 3.832 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000557611923 931573133 /nfs/dbraw/zinc/57/31/33/931573133.db2.gz VHEXYDNOBXADNE-UKILVPOCSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557611923 931573137 /nfs/dbraw/zinc/57/31/37/931573137.db2.gz VHEXYDNOBXADNE-UKILVPOCSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557611923 931573141 /nfs/dbraw/zinc/57/31/41/931573141.db2.gz VHEXYDNOBXADNE-UKILVPOCSA-N 2 1 395.591 3.908 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000924948621 931592819 /nfs/dbraw/zinc/59/28/19/931592819.db2.gz DYFADUOICGSJQE-LIEJCIORSA-N 2 1 376.545 3.594 20 0 GHADMP CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925179480 931691871 /nfs/dbraw/zinc/69/18/71/931691871.db2.gz VNISHLAIQDAEFP-JLUHHDAESA-N 2 1 383.580 3.809 20 0 GHADMP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H](C)C1 ZINC000558012669 931800562 /nfs/dbraw/zinc/80/05/62/931800562.db2.gz RQSVVLCRFGFHSO-GWOFKNCZSA-N 2 1 398.595 3.682 20 0 GHADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H](C)C1 ZINC000558012669 931800570 /nfs/dbraw/zinc/80/05/70/931800570.db2.gz RQSVVLCRFGFHSO-GWOFKNCZSA-N 2 1 398.595 3.682 20 0 GHADMP [NH3+]CCC[C@H]([NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 ZINC000925589814 931832936 /nfs/dbraw/zinc/83/29/36/931832936.db2.gz KXJHWRSSYZJVJT-HNNXBMFYSA-N 2 1 397.832 3.971 20 0 GHADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000558325133 931942009 /nfs/dbraw/zinc/94/20/09/931942009.db2.gz AIPPIHORZMEIME-LJQANCHMSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000558325133 931942018 /nfs/dbraw/zinc/94/20/18/931942018.db2.gz AIPPIHORZMEIME-LJQANCHMSA-N 2 1 397.485 3.660 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000925952450 931973184 /nfs/dbraw/zinc/97/31/84/931973184.db2.gz IJKZKQAFILRECK-QFIPXVFZSA-N 2 1 381.524 3.805 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926662728 932265853 /nfs/dbraw/zinc/26/58/53/932265853.db2.gz SFBCTRKZBMYYSN-ZYJGPIPZSA-N 2 1 391.559 3.938 20 0 GHADMP CS(=O)(=O)C1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000926877895 932333636 /nfs/dbraw/zinc/33/36/36/932333636.db2.gz JVINZZDIWAGOJJ-KXALBIEPSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)C1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000926877895 932333644 /nfs/dbraw/zinc/33/36/44/932333644.db2.gz JVINZZDIWAGOJJ-KXALBIEPSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)C1CCC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000926877897 932333972 /nfs/dbraw/zinc/33/39/72/932333972.db2.gz JVINZZDIWAGOJJ-WTYTYNAUSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)C1CCC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000926877897 932333975 /nfs/dbraw/zinc/33/39/75/932333975.db2.gz JVINZZDIWAGOJJ-WTYTYNAUSA-N 2 1 390.593 3.548 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000559268841 932566812 /nfs/dbraw/zinc/56/68/12/932566812.db2.gz MKYRYLXZKIVMNM-KRWDZBQOSA-N 2 1 375.582 3.747 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000798271289 932585673 /nfs/dbraw/zinc/58/56/73/932585673.db2.gz FRBYGNSKOYUIHX-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000798271289 932585683 /nfs/dbraw/zinc/58/56/83/932585683.db2.gz FRBYGNSKOYUIHX-QUCCMNQESA-N 2 1 375.557 3.886 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312243 932591202 /nfs/dbraw/zinc/59/12/02/932591202.db2.gz RGTUGTVHSMOBGZ-DHIUTWEWSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312243 932591208 /nfs/dbraw/zinc/59/12/08/932591208.db2.gz RGTUGTVHSMOBGZ-DHIUTWEWSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)C2)C1 ZINC000559312243 932591215 /nfs/dbraw/zinc/59/12/15/932591215.db2.gz RGTUGTVHSMOBGZ-DHIUTWEWSA-N 2 1 397.588 3.762 20 0 GHADMP C[C@]1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798431328 932644804 /nfs/dbraw/zinc/64/48/04/932644804.db2.gz IVNBWMYMGRJAJQ-XMMPIXPASA-N 2 1 398.595 3.605 20 0 GHADMP CN1c2ccc(C[NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000798498436 932674014 /nfs/dbraw/zinc/67/40/14/932674014.db2.gz SGVJKDBRRFZGKD-XMMPIXPASA-N 2 1 377.532 3.597 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc1 ZINC000559521037 932719052 /nfs/dbraw/zinc/71/90/52/932719052.db2.gz FEHGXZSBAZWSSB-IAGOWNOFSA-N 2 1 385.474 3.638 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000798946670 932831191 /nfs/dbraw/zinc/83/11/91/932831191.db2.gz INUSUQRUOHZNAR-HSZRJFAPSA-N 2 1 387.568 3.672 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000798946670 932831194 /nfs/dbraw/zinc/83/11/94/932831194.db2.gz INUSUQRUOHZNAR-HSZRJFAPSA-N 2 1 387.568 3.672 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000559743570 932831456 /nfs/dbraw/zinc/83/14/56/932831456.db2.gz PYPKHYVFCXXQTQ-HJOGWXRNSA-N 2 1 397.538 3.624 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)C[C@H]1c1ccccc1 ZINC000559743570 932831458 /nfs/dbraw/zinc/83/14/58/932831458.db2.gz PYPKHYVFCXXQTQ-HJOGWXRNSA-N 2 1 397.538 3.624 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000559751748 932838438 /nfs/dbraw/zinc/83/84/38/932838438.db2.gz AZDATFGZANMFQP-RXVVDRJESA-N 2 1 384.520 3.680 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(OC)c1 ZINC000559751748 932838443 /nfs/dbraw/zinc/83/84/43/932838443.db2.gz AZDATFGZANMFQP-RXVVDRJESA-N 2 1 384.520 3.680 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc4cc(C(F)(F)F)ccc4c(=O)[nH]3)C2)CC1 ZINC000799179483 932901988 /nfs/dbraw/zinc/90/19/88/932901988.db2.gz MGOFZSVPTYWTIP-UHFFFAOYSA-N 2 1 394.441 3.662 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4cc(C(F)(F)F)ccc4c(=O)[nH]3)C2)CC1 ZINC000799179483 932902002 /nfs/dbraw/zinc/90/20/02/932902002.db2.gz MGOFZSVPTYWTIP-UHFFFAOYSA-N 2 1 394.441 3.662 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2cccc(N4CCOCC4)c2)C3)cc1 ZINC000559877769 932918320 /nfs/dbraw/zinc/91/83/20/932918320.db2.gz OGHAVUVPWQNWBI-RHHYMUMYSA-N 2 1 391.559 3.808 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000560257823 933164989 /nfs/dbraw/zinc/16/49/89/933164989.db2.gz RWEWYGHMGJTFHR-CGBRIMPHSA-N 2 1 393.575 3.798 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001115914366 933243281 /nfs/dbraw/zinc/24/32/81/933243281.db2.gz ASAHMJFDRWJXMI-FCHUYYIVSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC001116288640 933459061 /nfs/dbraw/zinc/45/90/61/933459061.db2.gz LWDHOBQJWLDVAE-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC001116288640 933459084 /nfs/dbraw/zinc/45/90/84/933459084.db2.gz LWDHOBQJWLDVAE-MSOLQXFVSA-N 2 1 378.582 3.785 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000930059201 933805586 /nfs/dbraw/zinc/80/55/86/933805586.db2.gz AKCOLKZKKSMKAO-KJXAQDMKSA-N 2 1 399.510 3.580 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000930059201 933805592 /nfs/dbraw/zinc/80/55/92/933805592.db2.gz AKCOLKZKKSMKAO-KJXAQDMKSA-N 2 1 399.510 3.580 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1cccc2c1CC[NH2+]C2 ZINC000561043820 933811880 /nfs/dbraw/zinc/81/18/80/933811880.db2.gz AXDPVRZZVTZULQ-FQEVSTJZSA-N 2 1 392.547 3.756 20 0 GHADMP Cc1c(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001118275803 934125107 /nfs/dbraw/zinc/12/51/07/934125107.db2.gz ZXQUZAXXAAYSFO-NRFANRHFSA-N 2 1 376.504 3.768 20 0 GHADMP COC(=O)c1oc([C@H](C)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000562060485 934665336 /nfs/dbraw/zinc/66/53/36/934665336.db2.gz UAUADCIAPMORMK-DFQSSKMNSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1C ZINC000562060485 934665342 /nfs/dbraw/zinc/66/53/42/934665342.db2.gz UAUADCIAPMORMK-DFQSSKMNSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1C ZINC000562060485 934665346 /nfs/dbraw/zinc/66/53/46/934665346.db2.gz UAUADCIAPMORMK-DFQSSKMNSA-N 2 1 382.504 3.890 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC001137626841 935641422 /nfs/dbraw/zinc/64/14/22/935641422.db2.gz XRONQKTULYPNFT-DPLHUUCSSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC001137626841 935641425 /nfs/dbraw/zinc/64/14/25/935641425.db2.gz XRONQKTULYPNFT-DPLHUUCSSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccc4ncccc34)CC[C@@H]21 ZINC001137626841 935641429 /nfs/dbraw/zinc/64/14/29/935641429.db2.gz XRONQKTULYPNFT-DPLHUUCSSA-N 2 1 389.547 3.805 20 0 GHADMP CC(=O)Oc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001138048006 935952479 /nfs/dbraw/zinc/95/24/79/935952479.db2.gz HUUDGYJXHGLPBO-GOTSBHOMSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001138048006 935952480 /nfs/dbraw/zinc/95/24/80/935952480.db2.gz HUUDGYJXHGLPBO-GOTSBHOMSA-N 2 1 378.516 3.956 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001138048006 935952481 /nfs/dbraw/zinc/95/24/81/935952481.db2.gz HUUDGYJXHGLPBO-GOTSBHOMSA-N 2 1 378.516 3.956 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC001625820941 1014204778 /nfs/dbraw/zinc/20/47/78/1014204778.db2.gz BTYJCEFWIYKSAE-XMMPIXPASA-N 2 1 393.575 3.579 20 0 GHADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001625820941 1014204790 /nfs/dbraw/zinc/20/47/90/1014204790.db2.gz BTYJCEFWIYKSAE-XMMPIXPASA-N 2 1 393.575 3.579 20 0 GHADMP C[NH+](CCc1ccccc1)CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC001625820941 1014204802 /nfs/dbraw/zinc/20/48/02/1014204802.db2.gz BTYJCEFWIYKSAE-XMMPIXPASA-N 2 1 393.575 3.579 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCCN2Cc2cccc(F)c2)C1 ZINC001625849878 1014228395 /nfs/dbraw/zinc/22/83/95/1014228395.db2.gz PNEDPHZVHICYHW-DENIHFKCSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001625849878 1014228412 /nfs/dbraw/zinc/22/84/12/1014228412.db2.gz PNEDPHZVHICYHW-DENIHFKCSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001625849878 1014228421 /nfs/dbraw/zinc/22/84/21/1014228421.db2.gz PNEDPHZVHICYHW-DENIHFKCSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001625849878 1014228434 /nfs/dbraw/zinc/22/84/34/1014228434.db2.gz PNEDPHZVHICYHW-DENIHFKCSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001625849878 1014228443 /nfs/dbraw/zinc/22/84/43/1014228443.db2.gz PNEDPHZVHICYHW-DENIHFKCSA-N 2 1 389.559 3.809 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)c1ccccc1 ZINC001220788948 1032122903 /nfs/dbraw/zinc/12/29/03/1032122903.db2.gz HMHAYEQNCIKESA-VABKMULXSA-N 2 1 394.563 3.712 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000468416934 1015688119 /nfs/dbraw/zinc/68/81/19/1015688119.db2.gz KDHWJCJPCPGZDB-HXUWFJFHSA-N 2 1 388.600 3.934 20 0 GHADMP Cc1ccc(NCCCNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)[nH+]c1 ZINC001226776241 1032124556 /nfs/dbraw/zinc/12/45/56/1032124556.db2.gz WURSLHJRPWKTQE-UHFFFAOYSA-N 2 1 395.551 3.546 20 0 GHADMP Cc1ccc(NCCCNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)[nH+]c1 ZINC001226776241 1032124565 /nfs/dbraw/zinc/12/45/65/1032124565.db2.gz WURSLHJRPWKTQE-UHFFFAOYSA-N 2 1 395.551 3.546 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1OC ZINC000468555888 1015802670 /nfs/dbraw/zinc/80/26/70/1015802670.db2.gz RNBUGNYZKLDKLI-GOSISDBHSA-N 2 1 390.568 3.648 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)[C@H](C)C1 ZINC000468797505 1016043994 /nfs/dbraw/zinc/04/39/94/1016043994.db2.gz CERLUBTZYHJZJT-JRGCBEDISA-N 2 1 394.003 3.812 20 0 GHADMP [NH3+][C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220919136 1032190791 /nfs/dbraw/zinc/19/07/91/1032190791.db2.gz VKOLMLRDHCJOAT-ISKFKSNPSA-N 2 1 391.559 3.747 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221010975 1032235629 /nfs/dbraw/zinc/23/56/29/1032235629.db2.gz VSHUKALQXBROHS-GOTSBHOMSA-N 2 1 391.559 3.508 20 0 GHADMP CC(C)(CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001221495476 1032437326 /nfs/dbraw/zinc/43/73/26/1032437326.db2.gz KCLDJUAWAJXGKX-JOCHJYFZSA-N 2 1 398.595 3.530 20 0 GHADMP CC(C)(CNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001221495476 1032437329 /nfs/dbraw/zinc/43/73/29/1032437329.db2.gz KCLDJUAWAJXGKX-JOCHJYFZSA-N 2 1 398.595 3.530 20 0 GHADMP CC(C)(CNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001221495476 1032437331 /nfs/dbraw/zinc/43/73/31/1032437331.db2.gz KCLDJUAWAJXGKX-JOCHJYFZSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001221581309 1032469272 /nfs/dbraw/zinc/46/92/72/1032469272.db2.gz VNURGPTUSCJKHO-FCHUYYIVSA-N 2 1 386.584 3.696 20 0 GHADMP c1cc2ccnc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2o1 ZINC001155357286 1032516115 /nfs/dbraw/zinc/51/61/15/1032516115.db2.gz DAZVCTIOAUWEPG-FQEVSTJZSA-N 2 1 376.504 3.742 20 0 GHADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc2[nH]ccc21 ZINC001155362137 1032518964 /nfs/dbraw/zinc/51/89/64/1032518964.db2.gz DOLJGWKFVKVQFG-FQEVSTJZSA-N 2 1 389.547 3.785 20 0 GHADMP CSc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361427 1032519437 /nfs/dbraw/zinc/51/94/37/1032519437.db2.gz MDBPOVJMSNTOPL-LJQANCHMSA-N 2 1 382.577 3.717 20 0 GHADMP Cc1ccc(-c2csc3ncnc(N4CCC[C@H]([NH+]5CC(C[NH3+])C5)C4)c23)cc1 ZINC001155372107 1032523596 /nfs/dbraw/zinc/52/35/96/1032523596.db2.gz GCVOFVJPSZVUEV-SFHVURJKSA-N 2 1 393.560 3.526 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001221792917 1032536250 /nfs/dbraw/zinc/53/62/50/1032536250.db2.gz ZIMJYXYHJZHSOV-HKBOAZHASA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001221792917 1032536255 /nfs/dbraw/zinc/53/62/55/1032536255.db2.gz ZIMJYXYHJZHSOV-HKBOAZHASA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001221792917 1032536264 /nfs/dbraw/zinc/53/62/64/1032536264.db2.gz ZIMJYXYHJZHSOV-HKBOAZHASA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001221792919 1032537215 /nfs/dbraw/zinc/53/72/15/1032537215.db2.gz ZIMJYXYHJZHSOV-NJYVYQBISA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001221792919 1032537222 /nfs/dbraw/zinc/53/72/22/1032537222.db2.gz ZIMJYXYHJZHSOV-NJYVYQBISA-N 2 1 390.547 3.525 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001221792919 1032537228 /nfs/dbraw/zinc/53/72/28/1032537228.db2.gz ZIMJYXYHJZHSOV-NJYVYQBISA-N 2 1 390.547 3.525 20 0 GHADMP CCOC(=O)c1c[nH]c2cc(N(c3cccc(OC)c3)C3CC[NH2+]CC3)[nH+]cc21 ZINC001155614098 1032599721 /nfs/dbraw/zinc/59/97/21/1032599721.db2.gz LYWAZXCQIHBZJG-UHFFFAOYSA-N 2 1 394.475 3.638 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001204166363 1032618493 /nfs/dbraw/zinc/61/84/93/1032618493.db2.gz MOBBSWCBABXSCI-DHIUTWEWSA-N 2 1 383.580 3.717 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CN(C(=O)C[NH+](C)C)c4ccc(C)cc43)CC2)cc1 ZINC001204172155 1032623429 /nfs/dbraw/zinc/62/34/29/1032623429.db2.gz GCTKCNQYSYKYFF-UHFFFAOYSA-N 2 1 391.559 3.745 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001204176258 1032627714 /nfs/dbraw/zinc/62/77/14/1032627714.db2.gz KTTYRVQRFKXGNX-UHFFFAOYSA-N 2 1 379.548 3.759 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001204267997 1032712091 /nfs/dbraw/zinc/71/20/91/1032712091.db2.gz YINKKWZJKOTGDA-IBGZPJMESA-N 2 1 391.556 3.506 20 0 GHADMP Cc1cc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn2ccnc12 ZINC000560443450 1017626298 /nfs/dbraw/zinc/62/62/98/1017626298.db2.gz ZXKRAUZNYOPFKL-WOJBJXKFSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn2cc[nH+]c12 ZINC000560443450 1017626301 /nfs/dbraw/zinc/62/63/01/1017626301.db2.gz ZXKRAUZNYOPFKL-WOJBJXKFSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn2cc[nH+]c12 ZINC000560443450 1017626306 /nfs/dbraw/zinc/62/63/06/1017626306.db2.gz ZXKRAUZNYOPFKL-WOJBJXKFSA-N 2 1 389.503 3.629 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433262 1017978821 /nfs/dbraw/zinc/97/88/21/1017978821.db2.gz VOAPVAJTDJUQEH-AEGPPILISA-N 2 1 380.414 3.700 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433262 1017978826 /nfs/dbraw/zinc/97/88/26/1017978826.db2.gz VOAPVAJTDJUQEH-AEGPPILISA-N 2 1 380.414 3.700 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931433262 1017978827 /nfs/dbraw/zinc/97/88/27/1017978827.db2.gz VOAPVAJTDJUQEH-AEGPPILISA-N 2 1 380.414 3.700 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931433262 1017978828 /nfs/dbraw/zinc/97/88/28/1017978828.db2.gz VOAPVAJTDJUQEH-AEGPPILISA-N 2 1 380.414 3.700 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931433262 1017978829 /nfs/dbraw/zinc/97/88/29/1017978829.db2.gz VOAPVAJTDJUQEH-AEGPPILISA-N 2 1 380.414 3.700 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562772766 1018625288 /nfs/dbraw/zinc/62/52/88/1018625288.db2.gz ZYHIMTLODPDBPB-LJQANCHMSA-N 2 1 378.520 3.714 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000562988536 1018892511 /nfs/dbraw/zinc/89/25/11/1018892511.db2.gz PPXAWUAGYWOJIA-KRWDZBQOSA-N 2 1 379.932 3.696 20 0 GHADMP C[C@@H](C[NH+](C)C)Nc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001155920559 1032794498 /nfs/dbraw/zinc/79/44/98/1032794498.db2.gz FCVBZEBVHGIPBY-HNNXBMFYSA-N 2 1 387.597 3.918 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001228120883 1032795320 /nfs/dbraw/zinc/79/53/20/1032795320.db2.gz XMOLPLDNJMHOTB-DHIUTWEWSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001228120883 1032795334 /nfs/dbraw/zinc/79/53/34/1032795334.db2.gz XMOLPLDNJMHOTB-DHIUTWEWSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001228120883 1032795338 /nfs/dbraw/zinc/79/53/38/1032795338.db2.gz XMOLPLDNJMHOTB-DHIUTWEWSA-N 2 1 398.595 3.747 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)s1 ZINC000564059254 1019003759 /nfs/dbraw/zinc/00/37/59/1019003759.db2.gz KROJRMXGVVETAX-TZIWHRDSSA-N 2 1 391.625 3.847 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000572797491 1019801420 /nfs/dbraw/zinc/80/14/20/1019801420.db2.gz YUDSVKLOBMWGFF-UHFFFAOYSA-N 2 1 387.527 4.000 20 0 GHADMP Cc1c(F)cccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001204510059 1032939186 /nfs/dbraw/zinc/93/91/86/1032939186.db2.gz HNGSXYNFUKKSKM-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@@H]2c2ccsc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637921892 1021032361 /nfs/dbraw/zinc/03/23/61/1021032361.db2.gz IZNXDQOJMSQYFQ-HXUWFJFHSA-N 2 1 383.561 3.795 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH2+]CCCc3nnc4n3CCCCC4)CC[N@@H+]2C2CC2)cc1 ZINC000638511371 1021045428 /nfs/dbraw/zinc/04/54/28/1021045428.db2.gz OPMBLUMDGVLQHF-IFMALSPDSA-N 2 1 393.579 3.895 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH2+]CCCc3nnc4n3CCCCC4)CC[N@H+]2C2CC2)cc1 ZINC000638511371 1021045434 /nfs/dbraw/zinc/04/54/34/1021045434.db2.gz OPMBLUMDGVLQHF-IFMALSPDSA-N 2 1 393.579 3.895 20 0 GHADMP CC[N@H+](CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000652237128 1021216094 /nfs/dbraw/zinc/21/60/94/1021216094.db2.gz IFMFQBDFUSKEET-KRWDZBQOSA-N 2 1 381.586 3.753 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000652237128 1021216104 /nfs/dbraw/zinc/21/61/04/1021216104.db2.gz IFMFQBDFUSKEET-KRWDZBQOSA-N 2 1 381.586 3.753 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nc(Br)cs1 ZINC000834519282 1021240847 /nfs/dbraw/zinc/24/08/47/1021240847.db2.gz RVQYWTXWYZGBJH-GFCCVEGCSA-N 2 1 384.343 3.697 20 0 GHADMP C[NH+](C)Cc1cc(OC2CCN(c3cc[nH+]cc3)CC2)ccc1Br ZINC001228545321 1032980079 /nfs/dbraw/zinc/98/00/79/1032980079.db2.gz GHJMFYPNVOGQBF-UHFFFAOYSA-N 2 1 390.325 3.954 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140383585 1021536676 /nfs/dbraw/zinc/53/66/76/1021536676.db2.gz OPWIYEAMAUXFOP-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](C)c2cccc(Br)c2)C1 ZINC001204593397 1032988918 /nfs/dbraw/zinc/98/89/18/1032988918.db2.gz QWZJWGZHXHSNOV-QFBILLFUSA-N 2 1 383.374 3.985 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OCCC(C)C ZINC000678930603 1021942400 /nfs/dbraw/zinc/94/24/00/1021942400.db2.gz UKBFSGDLZYOGKY-OAQYLSRUSA-N 2 1 390.568 3.853 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1ccccc1 ZINC000679722139 1022043420 /nfs/dbraw/zinc/04/34/20/1022043420.db2.gz WCOGHRQELRLZSV-ACIOBRDBSA-N 2 1 377.532 3.906 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ncc1F)CC2 ZINC001140606554 1022059978 /nfs/dbraw/zinc/05/99/78/1022059978.db2.gz IZLYCKVVCTVMFU-MRXNPFEDSA-N 2 1 393.890 3.723 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4ccncc43)CC[C@@H]21 ZINC001140642807 1022136876 /nfs/dbraw/zinc/13/68/76/1022136876.db2.gz FXKJIEKMZBWICW-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccc4ccncc43)CC[C@@H]21 ZINC001140642807 1022136888 /nfs/dbraw/zinc/13/68/88/1022136888.db2.gz FXKJIEKMZBWICW-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccc4ccncc43)CC[C@@H]21 ZINC001140642807 1022136899 /nfs/dbraw/zinc/13/68/99/1022136899.db2.gz FXKJIEKMZBWICW-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(C)c1 ZINC001140674676 1022230096 /nfs/dbraw/zinc/23/00/96/1022230096.db2.gz YRPBKIHKNLPECZ-FQEVSTJZSA-N 2 1 384.520 3.852 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001140798127 1022561562 /nfs/dbraw/zinc/56/15/62/1022561562.db2.gz GDJZVOQJLDGAHQ-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001140798127 1022561565 /nfs/dbraw/zinc/56/15/65/1022561565.db2.gz GDJZVOQJLDGAHQ-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001140798127 1022561567 /nfs/dbraw/zinc/56/15/67/1022561567.db2.gz GDJZVOQJLDGAHQ-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001140798127 1022561575 /nfs/dbraw/zinc/56/15/75/1022561575.db2.gz GDJZVOQJLDGAHQ-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)c1 ZINC001140798246 1022561906 /nfs/dbraw/zinc/56/19/06/1022561906.db2.gz IJSNECBTKRNMBY-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP O=C(c1ccsc1)N1CCC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140801233 1022569633 /nfs/dbraw/zinc/56/96/33/1022569633.db2.gz IJIVYTLCFUIFQS-UHFFFAOYSA-N 2 1 380.517 3.753 20 0 GHADMP Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3c[nH]c4cc[nH+]cc34)O2)cs1 ZINC001140803837 1022576339 /nfs/dbraw/zinc/57/63/39/1022576339.db2.gz YKDQHCIMUIJACF-IOMROCGXSA-N 2 1 398.532 3.667 20 0 GHADMP Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c[nH]c4cc[nH+]cc34)O2)cs1 ZINC001140803837 1022576343 /nfs/dbraw/zinc/57/63/43/1022576343.db2.gz YKDQHCIMUIJACF-IOMROCGXSA-N 2 1 398.532 3.667 20 0 GHADMP C[C@@H](C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC001204756372 1033068594 /nfs/dbraw/zinc/06/85/94/1033068594.db2.gz KFTAGOZKYLJLPI-IBGZPJMESA-N 2 1 387.518 3.818 20 0 GHADMP C[C@@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1cc(F)cc(F)c1 ZINC001204756372 1033068610 /nfs/dbraw/zinc/06/86/10/1033068610.db2.gz KFTAGOZKYLJLPI-IBGZPJMESA-N 2 1 387.518 3.818 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)c1 ZINC001140974786 1023054971 /nfs/dbraw/zinc/05/49/71/1023054971.db2.gz KSMXENLFOKSNNQ-JOCHJYFZSA-N 2 1 393.575 3.902 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141000258 1023137255 /nfs/dbraw/zinc/13/72/55/1023137255.db2.gz YHKAQFVEQLKOBU-AUSIDOKSSA-N 2 1 397.588 3.990 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141000258 1023137268 /nfs/dbraw/zinc/13/72/68/1023137268.db2.gz YHKAQFVEQLKOBU-AUSIDOKSSA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141000258 1023137278 /nfs/dbraw/zinc/13/72/78/1023137278.db2.gz YHKAQFVEQLKOBU-AUSIDOKSSA-N 2 1 397.588 3.990 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)s3)C2)C1 ZINC001141000258 1023137288 /nfs/dbraw/zinc/13/72/88/1023137288.db2.gz YHKAQFVEQLKOBU-AUSIDOKSSA-N 2 1 397.588 3.990 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC001138079595 1024018154 /nfs/dbraw/zinc/01/81/54/1024018154.db2.gz QNMAJLNVYRJBEI-UHFFFAOYSA-N 2 1 379.504 3.896 20 0 GHADMP CCOc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001138097489 1024071270 /nfs/dbraw/zinc/07/12/70/1024071270.db2.gz WGMCLCLPWJGIHI-FQEVSTJZSA-N 2 1 384.520 3.934 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001205016970 1033211558 /nfs/dbraw/zinc/21/15/58/1033211558.db2.gz VACDDXTVHXFYSS-XMMPIXPASA-N 2 1 380.532 3.993 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4CC)CC2)C1 ZINC001138361698 1024725990 /nfs/dbraw/zinc/72/59/90/1024725990.db2.gz XAIQQJXYEPKERY-LJQANCHMSA-N 2 1 397.563 3.970 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4c3cccc4CC)CC2)C1 ZINC001138361698 1024726006 /nfs/dbraw/zinc/72/60/06/1024726006.db2.gz XAIQQJXYEPKERY-LJQANCHMSA-N 2 1 397.563 3.970 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC001138547158 1024994096 /nfs/dbraw/zinc/99/40/96/1024994096.db2.gz GJFQGOVSIVQVJM-UHFFFAOYSA-N 2 1 380.536 3.795 20 0 GHADMP CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549636 1024996816 /nfs/dbraw/zinc/99/68/16/1024996816.db2.gz BCSFYIJYGLAMEO-OAQYLSRUSA-N 2 1 387.524 3.751 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549636 1024996817 /nfs/dbraw/zinc/99/68/17/1024996817.db2.gz BCSFYIJYGLAMEO-OAQYLSRUSA-N 2 1 387.524 3.751 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)nc1 ZINC001138552046 1025005594 /nfs/dbraw/zinc/00/55/94/1025005594.db2.gz WUVAYSOGMAHSBK-NRFANRHFSA-N 2 1 378.476 3.628 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)nc1 ZINC001138552046 1025005600 /nfs/dbraw/zinc/00/56/00/1025005600.db2.gz WUVAYSOGMAHSBK-NRFANRHFSA-N 2 1 378.476 3.628 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001138579160 1025058939 /nfs/dbraw/zinc/05/89/39/1025058939.db2.gz LMDWMFONURSFAJ-GOSISDBHSA-N 2 1 386.540 3.556 20 0 GHADMP FC(F)(F)c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001141471021 1025152228 /nfs/dbraw/zinc/15/22/28/1025152228.db2.gz XTNWKUSEIHVCCX-RTBURBONSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001141471021 1025152234 /nfs/dbraw/zinc/15/22/34/1025152234.db2.gz XTNWKUSEIHVCCX-RTBURBONSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001141471021 1025152244 /nfs/dbraw/zinc/15/22/44/1025152244.db2.gz XTNWKUSEIHVCCX-RTBURBONSA-N 2 1 390.453 3.839 20 0 GHADMP CN1CC[NH+](C2(c3ccc(Nc4ccc5c(c4)C[N@H+](C)CC5)cc3)CC2)CC1 ZINC001205128956 1033268929 /nfs/dbraw/zinc/26/89/29/1033268929.db2.gz HZOMNTKBGRTKOJ-UHFFFAOYSA-N 2 1 376.548 3.655 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(Nc4ccc5c(c4)C[N@@H+](C)CC5)cc3)CC2)CC1 ZINC001205128956 1033268941 /nfs/dbraw/zinc/26/89/41/1033268941.db2.gz HZOMNTKBGRTKOJ-UHFFFAOYSA-N 2 1 376.548 3.655 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(Nc4ccc5c(c4)C[N@H+](C)CC5)cc3)CC2)CC1 ZINC001205128956 1033268947 /nfs/dbraw/zinc/26/89/47/1033268947.db2.gz HZOMNTKBGRTKOJ-UHFFFAOYSA-N 2 1 376.548 3.655 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001138773937 1025346536 /nfs/dbraw/zinc/34/65/36/1025346536.db2.gz TYHNTSLJKXTDEG-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001138773937 1025346552 /nfs/dbraw/zinc/34/65/52/1025346552.db2.gz TYHNTSLJKXTDEG-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001138773937 1025346566 /nfs/dbraw/zinc/34/65/66/1025346566.db2.gz TYHNTSLJKXTDEG-HSZRJFAPSA-N 2 1 381.564 3.723 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1F)CC2 ZINC001138786963 1025361406 /nfs/dbraw/zinc/36/14/06/1025361406.db2.gz RIPBZBPVNHJTCS-KRWDZBQOSA-N 2 1 375.513 3.538 20 0 GHADMP c1cc2cc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3cccnc3)C4)ccc2o1 ZINC001138821926 1025425383 /nfs/dbraw/zinc/42/53/83/1025425383.db2.gz MCZGRRSXSRODDA-UHFFFAOYSA-N 2 1 391.515 3.942 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000838967901 1025485040 /nfs/dbraw/zinc/48/50/40/1025485040.db2.gz FLMOWFNIGCHTIH-NQIIRXRSSA-N 2 1 399.579 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000838967901 1025485048 /nfs/dbraw/zinc/48/50/48/1025485048.db2.gz FLMOWFNIGCHTIH-NQIIRXRSSA-N 2 1 399.579 3.886 20 0 GHADMP Cn1ccc2c1nc[nH+]c2N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001162053634 1025568932 /nfs/dbraw/zinc/56/89/32/1025568932.db2.gz AMFXDRWCLYIRFF-UHFFFAOYSA-N 2 1 389.425 3.528 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)[C@H]2CC[C@H](C)CC2)c1C ZINC001141577407 1025672223 /nfs/dbraw/zinc/67/22/23/1025672223.db2.gz DJTZYFWYFUCNIM-RUCARUNLSA-N 2 1 376.589 3.714 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2coc(-c3ccccc3)n2)[C@H](c2ccccc2)C1 ZINC001461037591 1069352638 /nfs/dbraw/zinc/35/26/38/1069352638.db2.gz VJBVCEKKNYVLRY-QHCPKHFHSA-N 2 1 390.531 3.810 20 0 GHADMP Clc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc2c1OCO2 ZINC001139074032 1025878198 /nfs/dbraw/zinc/87/81/98/1025878198.db2.gz CNUCPKNAGUGALC-UHFFFAOYSA-N 2 1 399.922 3.952 20 0 GHADMP CC(C)(C)c1nccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162928279 1025969914 /nfs/dbraw/zinc/96/99/14/1025969914.db2.gz IHTMEJURZVBQSO-HXUWFJFHSA-N 2 1 393.579 3.688 20 0 GHADMP [NH3+]C1(c2ccc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2)CC1 ZINC001162933601 1025971149 /nfs/dbraw/zinc/97/11/49/1025971149.db2.gz GKKOJNCCBRAWLE-QFIPXVFZSA-N 3 1 390.575 3.548 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001141635410 1025976902 /nfs/dbraw/zinc/97/69/02/1025976902.db2.gz AQHWAASSUYCSTC-NRFANRHFSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001141635410 1025976906 /nfs/dbraw/zinc/97/69/06/1025976906.db2.gz AQHWAASSUYCSTC-NRFANRHFSA-N 2 1 393.575 3.852 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001141635410 1025976910 /nfs/dbraw/zinc/97/69/10/1025976910.db2.gz AQHWAASSUYCSTC-NRFANRHFSA-N 2 1 393.575 3.852 20 0 GHADMP CC(C)c1ncc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cn1 ZINC001162941746 1025978900 /nfs/dbraw/zinc/97/89/00/1025978900.db2.gz PHKMSWNPDINJTR-FQEVSTJZSA-N 2 1 379.552 3.514 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)c(C(F)(F)F)c3)cc2)CC1 ZINC001461048734 1069360811 /nfs/dbraw/zinc/36/08/11/1069360811.db2.gz BQLLCLORSFULTB-UHFFFAOYSA-N 2 1 395.444 3.882 20 0 GHADMP O=C(Nc1ccccc1)Nc1cc[nH+]c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162959013 1025987122 /nfs/dbraw/zinc/98/71/22/1025987122.db2.gz VKNGSULGIPHUGP-IBGZPJMESA-N 2 1 395.507 3.686 20 0 GHADMP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)c12 ZINC001163278007 1026120760 /nfs/dbraw/zinc/12/07/60/1026120760.db2.gz GAJBGJXUJGQUPP-VGSWGCGISA-N 2 1 383.540 3.734 20 0 GHADMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)s2)cc1 ZINC001139287717 1026141397 /nfs/dbraw/zinc/14/13/97/1026141397.db2.gz SDMIVNUENYYIID-LEWJYISDSA-N 2 1 385.577 3.634 20 0 GHADMP COc1ccc2c(c1)c(C[N@H+]1C[C@H]3CC[NH+](C)C[C@H]3C1)cn2C(=O)OC(C)(C)C ZINC001139300941 1026154081 /nfs/dbraw/zinc/15/40/81/1026154081.db2.gz ZBUKSDIFUDSZLE-SJORKVTESA-N 2 1 399.535 3.817 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001139337654 1026200144 /nfs/dbraw/zinc/20/01/44/1026200144.db2.gz WFFDRFXJNRYPAF-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001139337654 1026200157 /nfs/dbraw/zinc/20/01/57/1026200157.db2.gz WFFDRFXJNRYPAF-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cc2)n1 ZINC001139337654 1026200172 /nfs/dbraw/zinc/20/01/72/1026200172.db2.gz WFFDRFXJNRYPAF-PKTZIBPZSA-N 2 1 387.531 3.611 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@@H]([NH3+])c2ccc(C(=O)OC)cc2)nc1 ZINC001163468219 1026206152 /nfs/dbraw/zinc/20/61/52/1026206152.db2.gz ZFVMPSTWBUGXLI-WOJBJXKFSA-N 2 1 382.508 3.527 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001139361540 1026237042 /nfs/dbraw/zinc/23/70/42/1026237042.db2.gz MACKHIYGOWCOEU-PKTZIBPZSA-N 2 1 383.580 3.779 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 ZINC001461092915 1069384606 /nfs/dbraw/zinc/38/46/06/1069384606.db2.gz VOXQSUHYQMWHOO-URXFXBBRSA-N 2 1 386.628 3.819 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001139496366 1026354617 /nfs/dbraw/zinc/35/46/17/1026354617.db2.gz PKMPETVGECCLDK-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP c1cc(-c2ccc(CN3C[C@H]4C[NH+](Cc5cccnc5)C[C@@H]4C3)cn2)cs1 ZINC001139498805 1026355543 /nfs/dbraw/zinc/35/55/43/1026355543.db2.gz RIULWBOJMDRWMW-NHCUHLMSSA-N 2 1 376.529 3.769 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cn3c(cccc3F)n1)CC2 ZINC001139569041 1026438834 /nfs/dbraw/zinc/43/88/34/1026438834.db2.gz YASPCUFFGQWSBA-IBGZPJMESA-N 2 1 382.483 3.943 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139620606 1026488666 /nfs/dbraw/zinc/48/86/66/1026488666.db2.gz SIJKPGRJPYMBHK-QPPBQGQZSA-N 2 1 386.580 3.999 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139620606 1026488670 /nfs/dbraw/zinc/48/86/70/1026488670.db2.gz SIJKPGRJPYMBHK-QPPBQGQZSA-N 2 1 386.580 3.999 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139620606 1026488676 /nfs/dbraw/zinc/48/86/76/1026488676.db2.gz SIJKPGRJPYMBHK-QPPBQGQZSA-N 2 1 386.580 3.999 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OC)c(C(C)C)c1)C2 ZINC001139620606 1026488677 /nfs/dbraw/zinc/48/86/77/1026488677.db2.gz SIJKPGRJPYMBHK-QPPBQGQZSA-N 2 1 386.580 3.999 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1 ZINC001165169059 1026645338 /nfs/dbraw/zinc/64/53/38/1026645338.db2.gz OLTGPPCBNXVMJM-ARNLJNQMSA-N 2 1 390.575 3.996 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001165201362 1026661887 /nfs/dbraw/zinc/66/18/87/1026661887.db2.gz HBEZRKUFGZARHE-PMACEKPBSA-N 2 1 394.563 3.654 20 0 GHADMP C[C@@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165201363 1026662378 /nfs/dbraw/zinc/66/23/78/1026662378.db2.gz HBEZRKUFGZARHE-UXHICEINSA-N 2 1 394.563 3.654 20 0 GHADMP C[N@H+](Cc1c[nH]c2ncnc(Cl)c12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139939292 1026744726 /nfs/dbraw/zinc/74/47/26/1026744726.db2.gz VYEPYEZJQBUUGH-UHFFFAOYSA-N 2 1 383.927 3.907 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001140024677 1026811422 /nfs/dbraw/zinc/81/14/22/1026811422.db2.gz GPQJYKWROJQMED-JOCHJYFZSA-N 2 1 392.528 3.871 20 0 GHADMP CN(CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001203005838 1026913864 /nfs/dbraw/zinc/91/38/64/1026913864.db2.gz PXELUHBZNMFHSA-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001203005838 1026913867 /nfs/dbraw/zinc/91/38/67/1026913867.db2.gz PXELUHBZNMFHSA-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001203005838 1026913874 /nfs/dbraw/zinc/91/38/74/1026913874.db2.gz PXELUHBZNMFHSA-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)ccc1C ZINC001140157662 1026929969 /nfs/dbraw/zinc/92/99/69/1026929969.db2.gz KZLRMAPTZBBVTI-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)ccc1C ZINC001140157662 1026929972 /nfs/dbraw/zinc/92/99/72/1026929972.db2.gz KZLRMAPTZBBVTI-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)ccc1C ZINC001140157662 1026929976 /nfs/dbraw/zinc/92/99/76/1026929976.db2.gz KZLRMAPTZBBVTI-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP COc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)ccc1C ZINC001140157662 1026929979 /nfs/dbraw/zinc/92/99/79/1026929979.db2.gz KZLRMAPTZBBVTI-ZCYQVOJMSA-N 2 1 398.591 3.964 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1coc2ccc3ccccc3c12 ZINC001166247983 1026952841 /nfs/dbraw/zinc/95/28/41/1026952841.db2.gz MHFVFMWNIFAXRC-KRWDZBQOSA-N 2 1 381.520 3.517 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1coc2ccc3ccccc3c12 ZINC001166247983 1026952847 /nfs/dbraw/zinc/95/28/47/1026952847.db2.gz MHFVFMWNIFAXRC-KRWDZBQOSA-N 2 1 381.520 3.517 20 0 GHADMP O=C(Nc1cc[nH+]c(N2CCCCC2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC001209728000 1027123286 /nfs/dbraw/zinc/12/32/86/1027123286.db2.gz IOUXSLHKJQOJMO-UHFFFAOYSA-N 2 1 385.556 3.991 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC2CC[NH+](Cc3c[nH+]ccc3N)CC2)CC1 ZINC001209732645 1027126515 /nfs/dbraw/zinc/12/65/15/1027126515.db2.gz ATSCVZFQYLVGSW-UHFFFAOYSA-N 2 1 388.556 3.743 20 0 GHADMP Nc1cc[nH+]cc1C[NH+]1CCC(n2c3ccccc3nc2C(F)(F)F)CC1 ZINC001209732074 1027127701 /nfs/dbraw/zinc/12/77/01/1027127701.db2.gz WLWCCWOPAXGYNX-UHFFFAOYSA-N 2 1 375.398 3.700 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@H](c4cccc(Cl)c4Cl)C3)n2)CC1 ZINC001166896097 1027139458 /nfs/dbraw/zinc/13/94/58/1027139458.db2.gz UJSOSJIQSSHTKO-CYBMUJFWSA-N 2 1 392.334 3.705 20 0 GHADMP Clc1ccc2n[nH]c(C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)c2c1 ZINC001209749729 1027140116 /nfs/dbraw/zinc/14/01/16/1027140116.db2.gz AMSUROQFMJIZOF-UHFFFAOYSA-N 2 1 376.932 3.541 20 0 GHADMP CC[NH+](CC)Cc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)nc(C)[nH+]2)cc1 ZINC001209821826 1027222020 /nfs/dbraw/zinc/22/20/20/1027222020.db2.gz BFYPNLGAALBHPR-IRXDYDNUSA-N 2 1 383.540 3.984 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC001203798753 1027611314 /nfs/dbraw/zinc/61/13/14/1027611314.db2.gz HDCKALBBBXLDFX-OAQYLSRUSA-N 2 1 385.939 3.991 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc3ccccc3c2)CC1 ZINC001204000737 1027798701 /nfs/dbraw/zinc/79/87/01/1027798701.db2.gz OVMOVUFUQNFFJQ-DNQXCXABSA-N 2 1 391.559 3.747 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC001204135321 1027907094 /nfs/dbraw/zinc/90/70/94/1027907094.db2.gz MMIOBBGIRGOKEJ-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC001204135321 1027907099 /nfs/dbraw/zinc/90/70/99/1027907099.db2.gz MMIOBBGIRGOKEJ-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC001204135321 1027907103 /nfs/dbraw/zinc/90/71/03/1027907103.db2.gz MMIOBBGIRGOKEJ-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC001204135321 1027907115 /nfs/dbraw/zinc/90/71/15/1027907115.db2.gz MMIOBBGIRGOKEJ-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC001204135321 1027907121 /nfs/dbraw/zinc/90/71/21/1027907121.db2.gz MMIOBBGIRGOKEJ-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC001204135321 1027907125 /nfs/dbraw/zinc/90/71/25/1027907125.db2.gz MMIOBBGIRGOKEJ-SGNDLWITSA-N 2 1 387.531 3.540 20 0 GHADMP C[NH+](C)CC1(C[NH2+]Cc2ccc(I)s2)CCCC1 ZINC001461422699 1069542782 /nfs/dbraw/zinc/54/27/82/1069542782.db2.gz DTAWEDIQBSGART-UHFFFAOYSA-N 2 1 378.323 3.564 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001214829778 1028928550 /nfs/dbraw/zinc/92/85/50/1028928550.db2.gz ASULZEXORAXEDT-VXKWHMMOSA-N 2 1 384.568 3.853 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001142453076 1028947647 /nfs/dbraw/zinc/94/76/47/1028947647.db2.gz SQKFBERUGDPJRX-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679338 1029251625 /nfs/dbraw/zinc/25/16/25/1029251625.db2.gz BJNXYELUHKBYGX-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679338 1029251641 /nfs/dbraw/zinc/25/16/41/1029251641.db2.gz BJNXYELUHKBYGX-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679338 1029251655 /nfs/dbraw/zinc/25/16/55/1029251655.db2.gz BJNXYELUHKBYGX-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679337 1029252481 /nfs/dbraw/zinc/25/24/81/1029252481.db2.gz BJNXYELUHKBYGX-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679337 1029252499 /nfs/dbraw/zinc/25/24/99/1029252499.db2.gz BJNXYELUHKBYGX-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679337 1029252516 /nfs/dbraw/zinc/25/25/16/1029252516.db2.gz BJNXYELUHKBYGX-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3[nH]cnc31)CC2 ZINC001142679959 1029254392 /nfs/dbraw/zinc/25/43/92/1029254392.db2.gz NZGZOLWFOCEEQQ-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679959 1029254398 /nfs/dbraw/zinc/25/43/98/1029254398.db2.gz NZGZOLWFOCEEQQ-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3nc[nH]c31)CC2 ZINC001142679959 1029254409 /nfs/dbraw/zinc/25/44/09/1029254409.db2.gz NZGZOLWFOCEEQQ-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP CCN(C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC001215961543 1029472838 /nfs/dbraw/zinc/47/28/38/1029472838.db2.gz NWFXVCUZASAIJI-JOCHJYFZSA-N 2 1 386.584 3.909 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842679589 1029484467 /nfs/dbraw/zinc/48/44/67/1029484467.db2.gz IWHVYBKOMSKVQV-OAQYLSRUSA-N 2 1 385.552 3.783 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842679589 1029484476 /nfs/dbraw/zinc/48/44/76/1029484476.db2.gz IWHVYBKOMSKVQV-OAQYLSRUSA-N 2 1 385.552 3.783 20 0 GHADMP COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684162 1029489859 /nfs/dbraw/zinc/48/98/59/1029489859.db2.gz XZCRFXIIQYLUMG-REWPJTCUSA-N 2 1 396.531 3.524 20 0 GHADMP COc1cc(OC)cc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684162 1029489865 /nfs/dbraw/zinc/48/98/65/1029489865.db2.gz XZCRFXIIQYLUMG-REWPJTCUSA-N 2 1 396.531 3.524 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142908849 1029671927 /nfs/dbraw/zinc/67/19/27/1029671927.db2.gz JRIYXVFLZNOZOG-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142908849 1029671930 /nfs/dbraw/zinc/67/19/30/1029671930.db2.gz JRIYXVFLZNOZOG-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142908849 1029671937 /nfs/dbraw/zinc/67/19/37/1029671937.db2.gz JRIYXVFLZNOZOG-DEOSSOPVSA-N 2 1 378.516 3.500 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3n[nH]cc31)CC2 ZINC001143090300 1029838962 /nfs/dbraw/zinc/83/89/62/1029838962.db2.gz PYQVGBOYAABZKK-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP COc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001143152757 1029871619 /nfs/dbraw/zinc/87/16/19/1029871619.db2.gz PZXSVIZNSRWLPK-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001143152757 1029871624 /nfs/dbraw/zinc/87/16/24/1029871624.db2.gz PZXSVIZNSRWLPK-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001143152757 1029871629 /nfs/dbraw/zinc/87/16/29/1029871629.db2.gz PZXSVIZNSRWLPK-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001143152757 1029871633 /nfs/dbraw/zinc/87/16/33/1029871633.db2.gz PZXSVIZNSRWLPK-GIWBLDEGSA-N 2 1 382.552 3.574 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001221946499 1029902554 /nfs/dbraw/zinc/90/25/54/1029902554.db2.gz WLSBTWXEGVLFQY-LPWQTFTOSA-N 2 1 394.991 3.608 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC001221946499 1029902555 /nfs/dbraw/zinc/90/25/55/1029902555.db2.gz WLSBTWXEGVLFQY-LPWQTFTOSA-N 2 1 394.991 3.608 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001221967396 1029910795 /nfs/dbraw/zinc/91/07/95/1029910795.db2.gz DBCLYYRUOXMGLD-NRFANRHFSA-N 2 1 388.600 3.805 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364016 1029940445 /nfs/dbraw/zinc/94/04/45/1029940445.db2.gz KQHFXQUIMRGKPS-KBPBESRZSA-N 2 1 384.351 3.635 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000843363871 1029942285 /nfs/dbraw/zinc/94/22/85/1029942285.db2.gz GSHSPCFDUPKBPP-UHFFFAOYSA-N 2 1 387.543 3.563 20 0 GHADMP C[NH2+]Cc1ccc(-c2nc(-c3cccc(C(=O)Cn4cc[nH+]c4C)c3)no2)cc1 ZINC001216902779 1029989860 /nfs/dbraw/zinc/98/98/60/1029989860.db2.gz XOIQAGJSZUOAHZ-UHFFFAOYSA-N 2 1 387.443 3.511 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001222407945 1030112352 /nfs/dbraw/zinc/11/23/52/1030112352.db2.gz TVAZUGCHBQCBKH-UHFFFAOYSA-N 2 1 381.358 3.775 20 0 GHADMP Fc1cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)ccc1OCc1ccccc1 ZINC001222408091 1030112416 /nfs/dbraw/zinc/11/24/16/1030112416.db2.gz YMOYHQJCZOSEIU-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP COc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222574690 1030205638 /nfs/dbraw/zinc/20/56/38/1030205638.db2.gz JKMJFLROPUTPCS-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001222574247 1030206034 /nfs/dbraw/zinc/20/60/34/1030206034.db2.gz GKLXBDAGEHNULU-HSZRJFAPSA-N 3 1 397.607 3.570 20 0 GHADMP CC1(C)C[C@@H](C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CCO1 ZINC001222576212 1030207732 /nfs/dbraw/zinc/20/77/32/1030207732.db2.gz RWYPQIQYQHSSBC-VXKWHMMOSA-N 2 1 386.580 3.995 20 0 GHADMP c1c(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cnccc12 ZINC001222590699 1030214896 /nfs/dbraw/zinc/21/48/96/1030214896.db2.gz MDTCZUZZBDYPQG-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cnccc12 ZINC001222590699 1030214913 /nfs/dbraw/zinc/21/49/13/1030214913.db2.gz MDTCZUZZBDYPQG-JOCHJYFZSA-N 2 1 390.531 3.866 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2OCC3)cc1 ZINC001222591350 1030219263 /nfs/dbraw/zinc/21/92/63/1030219263.db2.gz UTUXNYUUNXJVIT-HSZRJFAPSA-N 2 1 392.543 3.925 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC001222868883 1030335423 /nfs/dbraw/zinc/33/54/23/1030335423.db2.gz YZVIHXNBEJIJLT-QETWGEEDSA-N 2 1 390.616 3.880 20 0 GHADMP Fc1cc(-c2noc(-c3ccc4c(c3)C[NH2+]C4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001217400131 1030369155 /nfs/dbraw/zinc/36/91/55/1030369155.db2.gz MWFKWBHUZBKWPQ-HXUWFJFHSA-N 2 1 387.418 3.878 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001223090519 1030434378 /nfs/dbraw/zinc/43/43/78/1030434378.db2.gz WFIRKKAHGDEYPZ-FCEUIQTBSA-N 2 1 388.600 3.705 20 0 GHADMP [NH3+][C@@H](Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1)Cc1cccc(Cl)c1 ZINC001217718168 1030627021 /nfs/dbraw/zinc/62/70/21/1030627021.db2.gz VNOLFFUJROJIMT-AZUAARDMSA-N 2 1 396.922 3.825 20 0 GHADMP C[C@H]1C[NH+](CCc2nnc(CCCCCCCCCCC[NH3+])o2)C[C@H](C)O1 ZINC001217728796 1030631859 /nfs/dbraw/zinc/63/18/59/1030631859.db2.gz PTTYUDTZKPSJGU-OALUTQOASA-N 2 1 380.577 3.733 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC001223664753 1030694135 /nfs/dbraw/zinc/69/41/35/1030694135.db2.gz YHVUYCOBXBNSCL-RMEPHLEKSA-N 2 1 386.584 3.534 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001224178293 1030914748 /nfs/dbraw/zinc/91/47/48/1030914748.db2.gz ROQMVXUXYCUEMC-YLJYHZDGSA-N 2 1 394.991 3.897 20 0 GHADMP [NH3+]C1CCN(Cc2ccccc2O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC001218410719 1030927332 /nfs/dbraw/zinc/92/73/32/1030927332.db2.gz LDGPTMOKXRVNHD-NRFANRHFSA-N 2 1 399.966 3.916 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3c2CN(Cc2ccccc2)C3)C1 ZINC001151812035 1031011555 /nfs/dbraw/zinc/01/15/55/1031011555.db2.gz OUNXNPUDUPFRFB-NRFANRHFSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151812035 1031011567 /nfs/dbraw/zinc/01/15/67/1031011567.db2.gz OUNXNPUDUPFRFB-NRFANRHFSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151812035 1031011580 /nfs/dbraw/zinc/01/15/80/1031011580.db2.gz OUNXNPUDUPFRFB-NRFANRHFSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)C1 ZINC001151812035 1031011596 /nfs/dbraw/zinc/01/15/96/1031011596.db2.gz OUNXNPUDUPFRFB-NRFANRHFSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)C1 ZINC001151812035 1031011615 /nfs/dbraw/zinc/01/16/15/1031011615.db2.gz OUNXNPUDUPFRFB-NRFANRHFSA-N 2 1 377.532 3.757 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001152023439 1031077596 /nfs/dbraw/zinc/07/75/96/1031077596.db2.gz KVPVXUHOXUQUGB-YKSBVNFPSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC001152023439 1031077612 /nfs/dbraw/zinc/07/76/12/1031077612.db2.gz KVPVXUHOXUQUGB-YKSBVNFPSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001152023439 1031077630 /nfs/dbraw/zinc/07/76/30/1031077630.db2.gz KVPVXUHOXUQUGB-YKSBVNFPSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001152023439 1031077650 /nfs/dbraw/zinc/07/76/50/1031077650.db2.gz KVPVXUHOXUQUGB-YKSBVNFPSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H]([NH3+])c1ncc(C(=O)Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)s1 ZINC001219047297 1031230601 /nfs/dbraw/zinc/23/06/01/1031230601.db2.gz UXOOUPYCKZCYMC-RHSMWYFYSA-N 2 1 392.528 3.992 20 0 GHADMP C[C@@H]([NH3+])c1ncc(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)s1 ZINC001219047297 1031230611 /nfs/dbraw/zinc/23/06/11/1031230611.db2.gz UXOOUPYCKZCYMC-RHSMWYFYSA-N 2 1 392.528 3.992 20 0 GHADMP Cc1cccc(NCCNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)[nH+]1 ZINC001225521375 1031455221 /nfs/dbraw/zinc/45/52/21/1031455221.db2.gz KRDSXRWWPLHARM-UHFFFAOYSA-N 2 1 395.551 3.677 20 0 GHADMP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219818933 1031634398 /nfs/dbraw/zinc/63/43/98/1031634398.db2.gz UTPHBMVJBOQGTJ-NNWRFLSQSA-N 2 1 397.950 3.771 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001220061994 1031761905 /nfs/dbraw/zinc/76/19/05/1031761905.db2.gz IGMLBUXOXVAEPW-ICSRJNTNSA-N 2 1 389.584 3.505 20 0 GHADMP CC[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001153911924 1031810342 /nfs/dbraw/zinc/81/03/42/1031810342.db2.gz WZYDSISRPZAOBK-DHIUTWEWSA-N 2 1 379.548 3.802 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001220481171 1031958570 /nfs/dbraw/zinc/95/85/70/1031958570.db2.gz YPMVSIYREPKCCZ-HXUWFJFHSA-N 2 1 378.605 3.739 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC001220611693 1032011419 /nfs/dbraw/zinc/01/14/19/1032011419.db2.gz VUMXEQWSIZYAIE-RTWAWAEBSA-N 2 1 394.648 3.943 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC001229184597 1033327376 /nfs/dbraw/zinc/32/73/76/1033327376.db2.gz FYKSUOKPFPYLNR-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001229184597 1033327391 /nfs/dbraw/zinc/32/73/91/1033327391.db2.gz FYKSUOKPFPYLNR-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001229184597 1033327407 /nfs/dbraw/zinc/32/74/07/1033327407.db2.gz FYKSUOKPFPYLNR-PTUXOGIPSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC001229184503 1033327739 /nfs/dbraw/zinc/32/77/39/1033327739.db2.gz FYKSUOKPFPYLNR-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001229184503 1033327749 /nfs/dbraw/zinc/32/77/49/1033327749.db2.gz FYKSUOKPFPYLNR-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001229184503 1033327754 /nfs/dbraw/zinc/32/77/54/1033327754.db2.gz FYKSUOKPFPYLNR-OIBXWCBGSA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+]3CCC[C@](C)([NH3+])CC3)c2n1 ZINC001205281196 1033338754 /nfs/dbraw/zinc/33/87/54/1033338754.db2.gz RAFGSSFEUZGACC-SFHVURJKSA-N 2 1 378.314 3.709 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)c2n1 ZINC001205281196 1033338763 /nfs/dbraw/zinc/33/87/63/1033338763.db2.gz RAFGSSFEUZGACC-SFHVURJKSA-N 2 1 378.314 3.709 20 0 GHADMP C[C@@]1([NH3+])CCC[N@H+](Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC001205281592 1033339625 /nfs/dbraw/zinc/33/96/25/1033339625.db2.gz VPIIFGWQNDKQMN-JOCHJYFZSA-N 2 1 397.544 3.582 20 0 GHADMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC001205281592 1033339634 /nfs/dbraw/zinc/33/96/34/1033339634.db2.gz VPIIFGWQNDKQMN-JOCHJYFZSA-N 2 1 397.544 3.582 20 0 GHADMP [NH2+]=C(Nc1cc(-c2ccc(Cl)nc2)ccc1C1OCCCO1)SCC[NH3+] ZINC001157131128 1033429704 /nfs/dbraw/zinc/42/97/04/1033429704.db2.gz VCPIDTOUXFXQQR-UHFFFAOYSA-N 2 1 392.912 3.876 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)nc1 ZINC001157173475 1033447835 /nfs/dbraw/zinc/44/78/35/1033447835.db2.gz ZMHOMKUTAIGSFU-RBUKOAKNSA-N 2 1 390.572 3.880 20 0 GHADMP Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)cc1I ZINC001205703122 1033538572 /nfs/dbraw/zinc/53/85/72/1033538572.db2.gz WOTFKPJVSGWHFA-CRAIPNDOSA-N 2 1 398.332 3.824 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CCC1(F)F ZINC001205771854 1033566815 /nfs/dbraw/zinc/56/68/15/1033566815.db2.gz WOQYXIYQCXQJAS-OAHLLOKOSA-N 2 1 396.279 3.927 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CCC1(F)F ZINC001205771854 1033566817 /nfs/dbraw/zinc/56/68/17/1033566817.db2.gz WOQYXIYQCXQJAS-OAHLLOKOSA-N 2 1 396.279 3.927 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC001157495277 1033619045 /nfs/dbraw/zinc/61/90/45/1033619045.db2.gz HBLPNQOSZVZRDW-RTBURBONSA-N 2 1 391.437 3.611 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2)C1 ZINC001157495277 1033619053 /nfs/dbraw/zinc/61/90/53/1033619053.db2.gz HBLPNQOSZVZRDW-RTBURBONSA-N 2 1 391.437 3.611 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CC[C@@H]1F ZINC001206176391 1033754583 /nfs/dbraw/zinc/75/45/83/1033754583.db2.gz ZNHSNCDFYGWOAX-HOTGVXAUSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CC[C@@H]1F ZINC001206176391 1033754590 /nfs/dbraw/zinc/75/45/90/1033754590.db2.gz ZNHSNCDFYGWOAX-HOTGVXAUSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@H]1F ZINC001206200888 1033761385 /nfs/dbraw/zinc/76/13/85/1033761385.db2.gz UCJAMYKYKLGNGA-SJORKVTESA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC[C@H]1F ZINC001206200888 1033761398 /nfs/dbraw/zinc/76/13/98/1033761398.db2.gz UCJAMYKYKLGNGA-SJORKVTESA-N 2 1 383.389 3.908 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)c(Br)o2)CC1 ZINC001206304410 1033787848 /nfs/dbraw/zinc/78/78/48/1033787848.db2.gz KDLHSRAQRICREI-ZDUSSCGKSA-N 2 1 380.124 3.756 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)c(Br)o2)CC1 ZINC001206304410 1033787866 /nfs/dbraw/zinc/78/78/66/1033787866.db2.gz KDLHSRAQRICREI-ZDUSSCGKSA-N 2 1 380.124 3.756 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC1 ZINC001206336038 1033801754 /nfs/dbraw/zinc/80/17/54/1033801754.db2.gz JQKZTFBACSGLRS-HSZRJFAPSA-N 2 1 382.504 3.945 20 0 GHADMP COc1ccc(CN(c2ccc(C[N@@H+](C)C3CC3)cn2)C2CC[NH2+]CC2)cc1F ZINC001158010525 1033867169 /nfs/dbraw/zinc/86/71/69/1033867169.db2.gz JQGWNDMTBIGCIB-UHFFFAOYSA-N 2 1 398.526 3.582 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2c(Br)cccc2OC(F)(F)F)CC1 ZINC001206506682 1033880752 /nfs/dbraw/zinc/88/07/52/1033880752.db2.gz LAVYXCAJBQJCDL-UHFFFAOYSA-N 2 1 381.236 3.909 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206598007 1033919408 /nfs/dbraw/zinc/91/94/08/1033919408.db2.gz HHDZYELBYHXIMG-INIZCTEOSA-N 2 1 383.330 3.588 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206598007 1033919415 /nfs/dbraw/zinc/91/94/15/1033919415.db2.gz HHDZYELBYHXIMG-INIZCTEOSA-N 2 1 383.330 3.588 20 0 GHADMP CC(C)[N@H+](Cc1cccc(I)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206598755 1033919542 /nfs/dbraw/zinc/91/95/42/1033919542.db2.gz MIJLNXXLKCNBIQ-CQSZACIVSA-N 2 1 390.284 3.783 20 0 GHADMP CC(C)[N@@H+](Cc1cccc(I)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206598755 1033919545 /nfs/dbraw/zinc/91/95/45/1033919545.db2.gz MIJLNXXLKCNBIQ-CQSZACIVSA-N 2 1 390.284 3.783 20 0 GHADMP Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206717435 1033957167 /nfs/dbraw/zinc/95/71/67/1033957167.db2.gz UAVHLJDNSDGFSZ-HSZRJFAPSA-N 2 1 380.532 3.871 20 0 GHADMP Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206717435 1033957168 /nfs/dbraw/zinc/95/71/68/1033957168.db2.gz UAVHLJDNSDGFSZ-HSZRJFAPSA-N 2 1 380.532 3.871 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2cnc(Cl)cc2C)c1 ZINC001158322546 1034022334 /nfs/dbraw/zinc/02/23/34/1034022334.db2.gz FKTABPWVJDRRNT-UHFFFAOYSA-N 2 1 382.842 3.755 20 0 GHADMP C[C@@H]([NH3+])c1ccn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@@H](C)C4)n1 ZINC001158356048 1034041734 /nfs/dbraw/zinc/04/17/34/1034041734.db2.gz MYRBVJJSJLIUFF-ZIAGYGMSSA-N 2 1 396.564 3.617 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC001207102281 1034093850 /nfs/dbraw/zinc/09/38/50/1034093850.db2.gz NPNOVWGKKVWCGS-AFVILVPDSA-N 2 1 387.568 3.647 20 0 GHADMP C[C@@H](C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001158626247 1034208091 /nfs/dbraw/zinc/20/80/91/1034208091.db2.gz ILRMSJQPUQATMD-KTIHBUSBSA-N 2 1 393.575 3.801 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249201 1034213127 /nfs/dbraw/zinc/21/31/27/1034213127.db2.gz VIKWDTFJLCOEMM-UFYCRDLUSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249201 1034213143 /nfs/dbraw/zinc/21/31/43/1034213143.db2.gz VIKWDTFJLCOEMM-UFYCRDLUSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249201 1034213156 /nfs/dbraw/zinc/21/31/56/1034213156.db2.gz VIKWDTFJLCOEMM-UFYCRDLUSA-N 2 1 379.589 3.972 20 0 GHADMP CC1=CC[C@@H](CC[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)C1(C)C ZINC001207271638 1034226372 /nfs/dbraw/zinc/22/63/72/1034226372.db2.gz GQCLWDPADVCROB-IBGZPJMESA-N 2 1 386.584 3.672 20 0 GHADMP CC1=CC[C@@H](CC[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)C1(C)C ZINC001207271638 1034226379 /nfs/dbraw/zinc/22/63/79/1034226379.db2.gz GQCLWDPADVCROB-IBGZPJMESA-N 2 1 386.584 3.672 20 0 GHADMP CC1=CC[C@@H](CC[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)C1(C)C ZINC001207271638 1034226386 /nfs/dbraw/zinc/22/63/86/1034226386.db2.gz GQCLWDPADVCROB-IBGZPJMESA-N 2 1 386.584 3.672 20 0 GHADMP CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)C1(C)C ZINC001207272285 1034228318 /nfs/dbraw/zinc/22/83/18/1034228318.db2.gz MXNAANWXXRUCOE-YPAWHYETSA-N 2 1 387.612 3.776 20 0 GHADMP CCOCc1ncn2c1C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC001207290661 1034242412 /nfs/dbraw/zinc/24/24/12/1034242412.db2.gz HATPYIDFWYPNFL-UHFFFAOYSA-N 2 1 382.552 3.538 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC001230859409 1034255115 /nfs/dbraw/zinc/25/51/15/1034255115.db2.gz YGJVJOPOQOPQFM-IBGZPJMESA-N 2 1 398.595 3.689 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(C)(C)c1ccc2ccccc2c1 ZINC001230859409 1034255127 /nfs/dbraw/zinc/25/51/27/1034255127.db2.gz YGJVJOPOQOPQFM-IBGZPJMESA-N 2 1 398.595 3.689 20 0 GHADMP C[NH+]1CCC(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(F)cc2)CC1 ZINC001207399624 1034342045 /nfs/dbraw/zinc/34/20/45/1034342045.db2.gz PUCKVNNYXDZOMC-FQEVSTJZSA-N 2 1 391.531 3.761 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(F)cc2)CC1 ZINC001207399624 1034342056 /nfs/dbraw/zinc/34/20/56/1034342056.db2.gz PUCKVNNYXDZOMC-FQEVSTJZSA-N 2 1 391.531 3.761 20 0 GHADMP CCOC[C@H]1C[N@@H+](CCC2CC[NH+](C)CC2)Cc2cn(CC3CCCC3)nc21 ZINC001207482127 1034391941 /nfs/dbraw/zinc/39/19/41/1034391941.db2.gz JKDGTYXYVMRPPY-JOCHJYFZSA-N 2 1 388.600 3.741 20 0 GHADMP Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(Nc2ccc(C3CC[NH2+]CC3)cc2)[nH+]1 ZINC001159227790 1034495642 /nfs/dbraw/zinc/49/56/42/1034495642.db2.gz MUSHHQSZUSDJCF-IYBDPMFKSA-N 2 1 381.524 3.609 20 0 GHADMP C(OC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCSCC1)C2)C1CC1 ZINC001207729508 1034546380 /nfs/dbraw/zinc/54/63/80/1034546380.db2.gz SZKQGNYJXAYSRI-YADHBBJMSA-N 2 1 378.626 3.590 20 0 GHADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCSCC1)C2)C1CC1 ZINC001207729508 1034546389 /nfs/dbraw/zinc/54/63/89/1034546389.db2.gz SZKQGNYJXAYSRI-YADHBBJMSA-N 2 1 378.626 3.590 20 0 GHADMP C(OC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCSCC1)C2)C1CC1 ZINC001207729508 1034546398 /nfs/dbraw/zinc/54/63/98/1034546398.db2.gz SZKQGNYJXAYSRI-YADHBBJMSA-N 2 1 378.626 3.590 20 0 GHADMP C[C@@H]1C[C@@H]([NH3+])C[C@@H](c2ccncc2Nc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC001159391321 1034576415 /nfs/dbraw/zinc/57/64/15/1034576415.db2.gz QVOHYKKSLRJXGR-SESVDKBCSA-N 2 1 393.579 3.804 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1[C@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207827927 1034604964 /nfs/dbraw/zinc/60/49/64/1034604964.db2.gz PTDIAIROJDDXAF-IAGOWNOFSA-N 2 1 391.547 3.788 20 0 GHADMP C[C@@H](Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)[C@H]1C[NH2+]CCO1 ZINC001159500379 1034621645 /nfs/dbraw/zinc/62/16/45/1034621645.db2.gz CLENLQYOTBPVNQ-DYESRHJHSA-N 2 1 399.498 3.876 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)s1 ZINC001231500124 1034645134 /nfs/dbraw/zinc/64/51/34/1034645134.db2.gz PHPBDGXBINZUDQ-UHFFFAOYSA-N 2 1 385.577 3.820 20 0 GHADMP C[C@H](C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1)c1ccccc1 ZINC001207906749 1034649669 /nfs/dbraw/zinc/64/96/69/1034649669.db2.gz ODIFEFDNXUNRRN-OFNKIYASSA-N 2 1 379.548 3.941 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(-c4ccccc4)c3)CC2)CC1 ZINC001231511273 1034660234 /nfs/dbraw/zinc/66/02/34/1034660234.db2.gz KQKJMRGJCAMZCJ-UHFFFAOYSA-N 2 1 377.532 3.515 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)CCCC1 ZINC001208185578 1034782101 /nfs/dbraw/zinc/78/21/01/1034782101.db2.gz BDKKAPHAHLUQRF-JTHBVZDNSA-N 2 1 378.601 3.939 20 0 GHADMP c1ccc(C2(C[NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)CCOCC2)cc1 ZINC001208227944 1034815694 /nfs/dbraw/zinc/81/56/94/1034815694.db2.gz RRTWWETWXPJHSY-LADGPHEKSA-N 2 1 398.591 3.558 20 0 GHADMP c1ccc(C2(C[N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCOCC2)cc1 ZINC001208227944 1034815707 /nfs/dbraw/zinc/81/57/07/1034815707.db2.gz RRTWWETWXPJHSY-LADGPHEKSA-N 2 1 398.591 3.558 20 0 GHADMP c1ccc(C2(C[N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCOCC2)cc1 ZINC001208227944 1034815718 /nfs/dbraw/zinc/81/57/18/1034815718.db2.gz RRTWWETWXPJHSY-LADGPHEKSA-N 2 1 398.591 3.558 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)C1 ZINC001208609296 1034952065 /nfs/dbraw/zinc/95/20/65/1034952065.db2.gz LIHGEOKTQCDWIJ-VQTJNVASSA-N 2 1 395.591 3.518 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc(C(F)F)c1)CC2 ZINC001231889849 1034970856 /nfs/dbraw/zinc/97/08/56/1034970856.db2.gz WNGJRSZGCDEROE-QGZVFWFLSA-N 2 1 391.462 3.868 20 0 GHADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCOCCOCc2ccccc2)CC3)co1 ZINC001208746247 1034995836 /nfs/dbraw/zinc/99/58/36/1034995836.db2.gz MJNWKMJVXRYIAN-UHFFFAOYSA-N 2 1 398.547 3.801 20 0 GHADMP CC[C@H](CCC(=O)OC)C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001208779304 1035017070 /nfs/dbraw/zinc/01/70/70/1035017070.db2.gz FFUMYGUAVMRMIK-QUCCMNQESA-N 2 1 376.541 3.935 20 0 GHADMP CC(C)Oc1ncccc1CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208800891 1035028741 /nfs/dbraw/zinc/02/87/41/1035028741.db2.gz FCNZSQAQGRHVOX-DHIUTWEWSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208800891 1035028748 /nfs/dbraw/zinc/02/87/48/1035028748.db2.gz FCNZSQAQGRHVOX-DHIUTWEWSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001208800891 1035028755 /nfs/dbraw/zinc/02/87/55/1035028755.db2.gz FCNZSQAQGRHVOX-DHIUTWEWSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208800891 1035028762 /nfs/dbraw/zinc/02/87/62/1035028762.db2.gz FCNZSQAQGRHVOX-DHIUTWEWSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001208800891 1035028770 /nfs/dbraw/zinc/02/87/70/1035028770.db2.gz FCNZSQAQGRHVOX-DHIUTWEWSA-N 2 1 379.548 3.865 20 0 GHADMP C[N@@H+](Cc1ccon1)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208819576 1035038023 /nfs/dbraw/zinc/03/80/23/1035038023.db2.gz IRWGTTHAUXSHBC-UHFFFAOYSA-N 2 1 399.535 3.974 20 0 GHADMP C[N@H+](Cc1ccon1)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208819576 1035038036 /nfs/dbraw/zinc/03/80/36/1035038036.db2.gz IRWGTTHAUXSHBC-UHFFFAOYSA-N 2 1 399.535 3.974 20 0 GHADMP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001160695156 1035038160 /nfs/dbraw/zinc/03/81/60/1035038160.db2.gz IYCNJDPZQFBNEP-XLIONFOSSA-N 2 1 377.960 3.715 20 0 GHADMP C[NH+](C)C1CC[NH+](CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001208819344 1035038368 /nfs/dbraw/zinc/03/83/68/1035038368.db2.gz QIZXZUHQDXYRBT-UHFFFAOYSA-N 2 1 399.576 3.965 20 0 GHADMP c1c(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232015484 1035045579 /nfs/dbraw/zinc/04/55/79/1035045579.db2.gz XFKCXUOUCROWPZ-XZOQPEGZSA-N 2 1 392.503 3.546 20 0 GHADMP C[N@@H+](Cc1ccc(-n2cc(C[NH3+])c3ccc(Br)cc32)nc1)C1CC1 ZINC001160758325 1035060007 /nfs/dbraw/zinc/06/00/07/1035060007.db2.gz MKVRVJPKFVHSAM-UHFFFAOYSA-N 2 1 385.309 3.841 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc3ncccc3[nH]1)CC2 ZINC001232063530 1035073528 /nfs/dbraw/zinc/07/35/28/1035073528.db2.gz TWTDNUSYHGSDNR-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1)Cc1cccc2ccccc21 ZINC001160848048 1035078743 /nfs/dbraw/zinc/07/87/43/1035078743.db2.gz CNCAZWUKIZZDOA-RCZVLFRGSA-N 2 1 399.538 3.541 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1)Cc1cccc2ccccc21 ZINC001160848048 1035078751 /nfs/dbraw/zinc/07/87/51/1035078751.db2.gz CNCAZWUKIZZDOA-RCZVLFRGSA-N 2 1 399.538 3.541 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(C)n1 ZINC001232082183 1035084102 /nfs/dbraw/zinc/08/41/02/1035084102.db2.gz NCXLZSHORKOISJ-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(C)n1 ZINC001232082183 1035084107 /nfs/dbraw/zinc/08/41/07/1035084107.db2.gz NCXLZSHORKOISJ-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)n1 ZINC001232082183 1035084112 /nfs/dbraw/zinc/08/41/12/1035084112.db2.gz NCXLZSHORKOISJ-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)n1 ZINC001232082183 1035084117 /nfs/dbraw/zinc/08/41/17/1035084117.db2.gz NCXLZSHORKOISJ-ZEQRLZLVSA-N 2 1 383.580 3.659 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ccncc3[nH]1)CC2 ZINC001232094815 1035092412 /nfs/dbraw/zinc/09/24/12/1035092412.db2.gz JYQUYVMOUAAMOW-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP CCCCN(C(=O)C[NH2+]C1CC[NH2+]CC1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001160921848 1035093966 /nfs/dbraw/zinc/09/39/66/1035093966.db2.gz OLNLMMQNIBTWKS-INIZCTEOSA-N 2 1 399.501 3.607 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930774 1035094297 /nfs/dbraw/zinc/09/42/97/1035094297.db2.gz DPSZMZSRBHELOM-HOJAQTOUSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930774 1035094309 /nfs/dbraw/zinc/09/43/09/1035094309.db2.gz DPSZMZSRBHELOM-HOJAQTOUSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@@]1(O)C(F)(F)F ZINC001208930774 1035094318 /nfs/dbraw/zinc/09/43/18/1035094318.db2.gz DPSZMZSRBHELOM-HOJAQTOUSA-N 2 1 384.486 3.924 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208935244 1035102432 /nfs/dbraw/zinc/10/24/32/1035102432.db2.gz NHEWHAPCOJGHFX-ZYQDXHPFSA-N 2 1 398.591 3.947 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208935244 1035102439 /nfs/dbraw/zinc/10/24/39/1035102439.db2.gz NHEWHAPCOJGHFX-ZYQDXHPFSA-N 2 1 398.591 3.947 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CC[C@H]4O[C@@H](COCC5CC5)CC[C@H]43)C2)cc1 ZINC001208935244 1035102447 /nfs/dbraw/zinc/10/24/47/1035102447.db2.gz NHEWHAPCOJGHFX-ZYQDXHPFSA-N 2 1 398.591 3.947 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935857 1035102517 /nfs/dbraw/zinc/10/25/17/1035102517.db2.gz MLQXGYHMYMAERA-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935857 1035102521 /nfs/dbraw/zinc/10/25/21/1035102521.db2.gz MLQXGYHMYMAERA-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935857 1035102530 /nfs/dbraw/zinc/10/25/30/1035102530.db2.gz MLQXGYHMYMAERA-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935857 1035102534 /nfs/dbraw/zinc/10/25/34/1035102534.db2.gz MLQXGYHMYMAERA-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208936392 1035103874 /nfs/dbraw/zinc/10/38/74/1035103874.db2.gz SCQAGDVHZSSDCG-XZOQPEGZSA-N 2 1 386.580 3.664 20 0 GHADMP COC[C@@H]1COCCC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936392 1035103877 /nfs/dbraw/zinc/10/38/77/1035103877.db2.gz SCQAGDVHZSSDCG-XZOQPEGZSA-N 2 1 386.580 3.664 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938969 1035106933 /nfs/dbraw/zinc/10/69/33/1035106933.db2.gz AJRMKPXFLROMCL-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938969 1035106937 /nfs/dbraw/zinc/10/69/37/1035106937.db2.gz AJRMKPXFLROMCL-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938969 1035106943 /nfs/dbraw/zinc/10/69/43/1035106943.db2.gz AJRMKPXFLROMCL-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938969 1035106949 /nfs/dbraw/zinc/10/69/49/1035106949.db2.gz AJRMKPXFLROMCL-VXKWHMMOSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940177 1035107377 /nfs/dbraw/zinc/10/73/77/1035107377.db2.gz AVBLMSQIPVOPBD-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208940177 1035107380 /nfs/dbraw/zinc/10/73/80/1035107380.db2.gz AVBLMSQIPVOPBD-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208940177 1035107383 /nfs/dbraw/zinc/10/73/83/1035107383.db2.gz AVBLMSQIPVOPBD-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+]4CCc5ccccc5[C@H]4C3)C2)cc1 ZINC001208939865 1035107426 /nfs/dbraw/zinc/10/74/26/1035107426.db2.gz KILARFLEOVCSBE-WIOPSUGQSA-N 2 1 375.560 3.814 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[N@@H+]4CCc5ccccc5[C@H]4C3)C2)cc1 ZINC001208939865 1035107428 /nfs/dbraw/zinc/10/74/28/1035107428.db2.gz KILARFLEOVCSBE-WIOPSUGQSA-N 2 1 375.560 3.814 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[N@H+]4CCc5ccccc5[C@H]4C3)C2)cc1 ZINC001208939865 1035107433 /nfs/dbraw/zinc/10/74/33/1035107433.db2.gz KILARFLEOVCSBE-WIOPSUGQSA-N 2 1 375.560 3.814 20 0 GHADMP COc1ccc(OC2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208939519 1035107531 /nfs/dbraw/zinc/10/75/31/1035107531.db2.gz CHPXDIHEFNSCIF-OAQYLSRUSA-N 2 1 395.547 3.846 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208943235 1035112911 /nfs/dbraw/zinc/11/29/11/1035112911.db2.gz SGYMJQSWNYSVDH-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208943235 1035112917 /nfs/dbraw/zinc/11/29/17/1035112917.db2.gz SGYMJQSWNYSVDH-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC001208943235 1035112923 /nfs/dbraw/zinc/11/29/23/1035112923.db2.gz SGYMJQSWNYSVDH-VSKRKVRLSA-N 2 1 399.579 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948584 1035118773 /nfs/dbraw/zinc/11/87/73/1035118773.db2.gz SAGRZUFGCPEOAQ-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948584 1035118779 /nfs/dbraw/zinc/11/87/79/1035118779.db2.gz SAGRZUFGCPEOAQ-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948584 1035118785 /nfs/dbraw/zinc/11/87/85/1035118785.db2.gz SAGRZUFGCPEOAQ-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948584 1035118790 /nfs/dbraw/zinc/11/87/90/1035118790.db2.gz SAGRZUFGCPEOAQ-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP COc1ccccc1[C@H](O)C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208952136 1035123386 /nfs/dbraw/zinc/12/33/86/1035123386.db2.gz HKVQAVYESYYGEL-FYYLOGMGSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@H](O)C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(C)C ZINC001208952136 1035123391 /nfs/dbraw/zinc/12/33/91/1035123391.db2.gz HKVQAVYESYYGEL-FYYLOGMGSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@H](O)C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC001208952136 1035123393 /nfs/dbraw/zinc/12/33/93/1035123393.db2.gz HKVQAVYESYYGEL-FYYLOGMGSA-N 2 1 382.548 3.961 20 0 GHADMP COc1ccccc1[C@H](O)C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC001208952136 1035123397 /nfs/dbraw/zinc/12/33/97/1035123397.db2.gz HKVQAVYESYYGEL-FYYLOGMGSA-N 2 1 382.548 3.961 20 0 GHADMP O=C(C1CCCCC1)N1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208951715 1035123669 /nfs/dbraw/zinc/12/36/69/1035123669.db2.gz BGGFPTACJAGKFK-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C(C1CCCCC1)N1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208951715 1035123671 /nfs/dbraw/zinc/12/36/71/1035123671.db2.gz BGGFPTACJAGKFK-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C(C1CCCCC1)N1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951715 1035123674 /nfs/dbraw/zinc/12/36/74/1035123674.db2.gz BGGFPTACJAGKFK-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C(C1CCCCC1)N1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951715 1035123679 /nfs/dbraw/zinc/12/36/79/1035123679.db2.gz BGGFPTACJAGKFK-QFIPXVFZSA-N 2 1 383.580 3.623 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)c1 ZINC001232146128 1035124138 /nfs/dbraw/zinc/12/41/38/1035124138.db2.gz JAPMCKAHMSOWDE-MOPGFXCFSA-N 2 1 391.531 3.576 20 0 GHADMP C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001161046546 1035124962 /nfs/dbraw/zinc/12/49/62/1035124962.db2.gz MTVWOKPKXJPSIK-QUCCMNQESA-N 2 1 379.548 3.823 20 0 GHADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208957491 1035129098 /nfs/dbraw/zinc/12/90/98/1035129098.db2.gz LHJPNDLPAKMYPF-DHIUTWEWSA-N 2 1 384.564 3.954 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150144 1035129193 /nfs/dbraw/zinc/12/91/93/1035129193.db2.gz UBAMWYFDNUSPKZ-DNVCBOLYSA-N 2 1 379.520 3.622 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150144 1035129197 /nfs/dbraw/zinc/12/91/97/1035129197.db2.gz UBAMWYFDNUSPKZ-DNVCBOLYSA-N 2 1 379.520 3.622 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)CC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC001209011899 1035150590 /nfs/dbraw/zinc/15/05/90/1035150590.db2.gz VKHSLRBOWAEIQV-IBGZPJMESA-N 2 1 397.604 3.801 20 0 GHADMP C[C@H]([NH3+])c1ncc(C(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC001161146907 1035158670 /nfs/dbraw/zinc/15/86/70/1035158670.db2.gz SWXYZOYCJOGPTJ-KRWDZBQOSA-N 2 1 398.576 3.681 20 0 GHADMP Clc1cccc(C[N@H+]2CC[C@H](Nc3cc(Cl)nc4c3CC[NH2+]C4)C2)c1 ZINC001161181602 1035169118 /nfs/dbraw/zinc/16/91/18/1035169118.db2.gz PDENFFGBYADBHA-HNNXBMFYSA-N 2 1 377.319 3.721 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001209103383 1035174116 /nfs/dbraw/zinc/17/41/16/1035174116.db2.gz VDSZPMDERSNRNN-YMPZKCBVSA-N 2 1 399.579 3.547 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001209103383 1035174120 /nfs/dbraw/zinc/17/41/20/1035174120.db2.gz VDSZPMDERSNRNN-YMPZKCBVSA-N 2 1 399.579 3.547 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001209103383 1035174126 /nfs/dbraw/zinc/17/41/26/1035174126.db2.gz VDSZPMDERSNRNN-YMPZKCBVSA-N 2 1 399.579 3.547 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)C[C@H]21 ZINC001209103383 1035174129 /nfs/dbraw/zinc/17/41/29/1035174129.db2.gz VDSZPMDERSNRNN-YMPZKCBVSA-N 2 1 399.579 3.547 20 0 GHADMP CC/C=C\CCCCCC[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209285958 1035231102 /nfs/dbraw/zinc/23/11/02/1035231102.db2.gz QPEGUZNVLSRKAX-PLNGDYQASA-N 2 1 385.600 3.546 20 0 GHADMP CC/C=C\CCCCCC[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209285958 1035231105 /nfs/dbraw/zinc/23/11/05/1035231105.db2.gz QPEGUZNVLSRKAX-PLNGDYQASA-N 2 1 385.600 3.546 20 0 GHADMP O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC001209451983 1035277956 /nfs/dbraw/zinc/27/79/56/1035277956.db2.gz YUACEJANDMPEBP-NRFANRHFSA-N 2 1 375.582 3.552 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4ccc(C)cc34)CC2)C1 ZINC001209490649 1035290603 /nfs/dbraw/zinc/29/06/03/1035290603.db2.gz CPTMEHBZQKIZNF-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4ccc(C)cc34)CC2)C1 ZINC001209490649 1035290608 /nfs/dbraw/zinc/29/06/08/1035290608.db2.gz CPTMEHBZQKIZNF-SFHVURJKSA-N 2 1 383.536 3.716 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc4c(cn2)OCCC4)CC3)c1 ZINC001209500772 1035293906 /nfs/dbraw/zinc/29/39/06/1035293906.db2.gz DKXYTQMZDMQLMH-UHFFFAOYSA-N 2 1 383.561 3.956 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508090 1035296756 /nfs/dbraw/zinc/29/67/56/1035296756.db2.gz ZIRHSWKLNHJHTL-YADHBBJMSA-N 2 1 377.532 3.751 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508090 1035296763 /nfs/dbraw/zinc/29/67/63/1035296763.db2.gz ZIRHSWKLNHJHTL-YADHBBJMSA-N 2 1 377.532 3.751 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cc5c(cn4)OCCC5)CC[C@@H]3C2)cc1 ZINC001209508090 1035296770 /nfs/dbraw/zinc/29/67/70/1035296770.db2.gz ZIRHSWKLNHJHTL-YADHBBJMSA-N 2 1 377.532 3.751 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3cc[nH]c3c1)CC2 ZINC001209511265 1035298582 /nfs/dbraw/zinc/29/85/82/1035298582.db2.gz RNFOHPLEFSFJNG-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(Br)cc(F)c2F)no1 ZINC001248194778 1035624353 /nfs/dbraw/zinc/62/43/53/1035624353.db2.gz NDXOKTKGBCUKCX-LBPRGKRZSA-N 2 1 389.244 3.509 20 0 GHADMP C[NH+]1CCC(n2cc(-c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)cn2)CC1 ZINC001242725520 1035948611 /nfs/dbraw/zinc/94/86/11/1035948611.db2.gz RZYFKWPZWHXKHQ-UHFFFAOYSA-N 2 1 387.531 3.770 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2cccc(Br)c2Cl)no1 ZINC001248896258 1036226730 /nfs/dbraw/zinc/22/67/30/1036226730.db2.gz NLXXNNAUCLFDFT-LBPRGKRZSA-N 2 1 385.693 3.542 20 0 GHADMP Fc1cc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1Cl ZINC001278372614 1036318943 /nfs/dbraw/zinc/31/89/43/1036318943.db2.gz JSOTZIRDPHKOAV-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1Cl ZINC001278372614 1036318960 /nfs/dbraw/zinc/31/89/60/1036318960.db2.gz JSOTZIRDPHKOAV-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP Fc1cc(F)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1Cl ZINC001278372614 1036318983 /nfs/dbraw/zinc/31/89/83/1036318983.db2.gz JSOTZIRDPHKOAV-GASCZTMLSA-N 2 1 380.870 3.685 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1 ZINC001245993423 1037115197 /nfs/dbraw/zinc/11/51/97/1037115197.db2.gz KLJBMYXAPQGNJQ-FCHUYYIVSA-N 2 1 380.463 3.639 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001246009680 1037129595 /nfs/dbraw/zinc/12/95/95/1037129595.db2.gz ZHOAWJWVNBCIGA-YTFSRNRJSA-N 2 1 380.919 3.950 20 0 GHADMP O[C@@H](C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC001246028526 1037147260 /nfs/dbraw/zinc/14/72/60/1037147260.db2.gz NRRACPFURPNSGS-PKTZIBPZSA-N 2 1 398.522 3.663 20 0 GHADMP O[C@@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C(c1ccccc1)c1ccccc1 ZINC001246040870 1037155015 /nfs/dbraw/zinc/15/50/15/1037155015.db2.gz WCAMQBWEKGZWNO-VXNXHJTFSA-N 2 1 378.560 3.891 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC001246045273 1037157136 /nfs/dbraw/zinc/15/71/36/1037157136.db2.gz SJNDHSYOXHKSOU-PWRODBHTSA-N 2 1 378.438 3.562 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001246045273 1037157144 /nfs/dbraw/zinc/15/71/44/1037157144.db2.gz SJNDHSYOXHKSOU-PWRODBHTSA-N 2 1 378.438 3.562 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc3ccccc32)C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC001246046824 1037159905 /nfs/dbraw/zinc/15/99/05/1037159905.db2.gz RAWKQHJAFATGCY-RUZDIDTESA-N 2 1 390.527 3.965 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052494 1037165143 /nfs/dbraw/zinc/16/51/43/1037165143.db2.gz MWHCMTVGBIOISI-XQBPLPMBSA-N 2 1 378.988 3.981 20 0 GHADMP C[N@@H+](CCCC12CCC(c3ccccc31)c1ccccc12)C[C@]1(O)CC[NH2+]C1 ZINC001246057029 1037170709 /nfs/dbraw/zinc/17/07/09/1037170709.db2.gz RFDZZMXXINMXDU-WDEWVQCLSA-N 2 1 376.544 3.648 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CCC[NH2+]C1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001246058768 1037173571 /nfs/dbraw/zinc/17/35/71/1037173571.db2.gz GLBXELXYUUEJJI-YFJHUXEUSA-N 2 1 394.559 3.912 20 0 GHADMP CCCC[C@H](O)C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246069277 1037183961 /nfs/dbraw/zinc/18/39/61/1037183961.db2.gz MOSMWGKEKYANGY-INIZCTEOSA-N 2 1 376.438 3.950 20 0 GHADMP CCCC[C@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001246069277 1037183969 /nfs/dbraw/zinc/18/39/69/1037183969.db2.gz MOSMWGKEKYANGY-INIZCTEOSA-N 2 1 376.438 3.950 20 0 GHADMP CCC1CCC(C2CCC([NH2+]Cc3cc(=O)n4c(n3)C[NH2+]CCC4)CC2)CC1 ZINC001246130435 1037207841 /nfs/dbraw/zinc/20/78/41/1037207841.db2.gz HFSFFPPEGNDSLC-UHFFFAOYSA-N 2 1 386.584 3.601 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC001246184471 1037226184 /nfs/dbraw/zinc/22/61/84/1037226184.db2.gz SEUUBHYPGODPNC-VXKWHMMOSA-N 3 1 385.596 3.568 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)CO2)CCN1Cc1ccccc1 ZINC001246184471 1037226198 /nfs/dbraw/zinc/22/61/98/1037226198.db2.gz SEUUBHYPGODPNC-VXKWHMMOSA-N 2 1 385.596 3.568 20 0 GHADMP CC1(C)C[C@@H](N[C@@H](C2CC[NH2+]CC2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246195886 1037231220 /nfs/dbraw/zinc/23/12/20/1037231220.db2.gz USFOALAIDPFLNR-OALUTQOASA-N 2 1 383.502 3.950 20 0 GHADMP CCOC(=O)CC1([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001246206182 1037238911 /nfs/dbraw/zinc/23/89/11/1037238911.db2.gz XXINCAHPXZURPQ-YADHBBJMSA-N 2 1 378.516 3.560 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246212833 1037240872 /nfs/dbraw/zinc/24/08/72/1037240872.db2.gz REMRRBLQIQRGRR-FYYLOGMGSA-N 3 1 399.529 3.977 20 0 GHADMP COCC[N@@H+](Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)[C@H]1CC[C@@H](C)C1 ZINC001462176194 1070054522 /nfs/dbraw/zinc/05/45/22/1070054522.db2.gz MKGMQNZLGSGZCI-PBHICJAKSA-N 2 1 384.467 3.707 20 0 GHADMP CCCC[C@@H]1C[C@@H](NC2=C(C(=O)OCC)C[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246290450 1037279567 /nfs/dbraw/zinc/27/95/67/1037279567.db2.gz KYUNGPOSBYKJDG-RTWAWAEBSA-N 2 1 399.579 3.610 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1 ZINC001246343657 1037305467 /nfs/dbraw/zinc/30/54/67/1037305467.db2.gz GNCGAEQQNYMHNB-RBBKRZOGSA-N 2 1 384.495 3.823 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC001246366152 1037324398 /nfs/dbraw/zinc/32/43/98/1037324398.db2.gz MDLYFJTVQCNOJR-RTBURBONSA-N 2 1 394.401 3.781 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3Cl)CC[NH2+]CC1)C2 ZINC001246368331 1037327116 /nfs/dbraw/zinc/32/71/16/1037327116.db2.gz FEVJCQMIHHZYGX-OWZKRDHZSA-N 2 1 375.988 3.857 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3ccccc3Cl)CC[NH2+]CC1)C2 ZINC001246368331 1037327125 /nfs/dbraw/zinc/32/71/25/1037327125.db2.gz FEVJCQMIHHZYGX-OWZKRDHZSA-N 2 1 375.988 3.857 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246374077 1037331120 /nfs/dbraw/zinc/33/11/20/1037331120.db2.gz JWHJMCHXDCVILT-GGAORHGYSA-N 3 1 381.539 3.838 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([NH2+]Cc3ccc4nnc(-c5ccccc5)n4c3)CC[NH2+]2)cc1 ZINC001246385955 1037346466 /nfs/dbraw/zinc/34/64/66/1037346466.db2.gz GGUCYEKDUWNOEK-GOTSBHOMSA-N 2 1 397.526 3.849 20 0 GHADMP Fc1cccc([C@H](N[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246403578 1037359546 /nfs/dbraw/zinc/35/95/46/1037359546.db2.gz HJNNUJZLJKMGRR-RBZQAINGSA-N 2 1 381.539 3.819 20 0 GHADMP COc1cccc(C2(N[C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[NH2+]CC2)c1 ZINC001246418370 1037375320 /nfs/dbraw/zinc/37/53/20/1037375320.db2.gz ZDGJUEQXADKUPG-QHCPKHFHSA-N 2 1 393.575 3.918 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C1 ZINC001246428531 1037387210 /nfs/dbraw/zinc/38/72/10/1037387210.db2.gz AGMNIGRCPDPSBV-QAPCUYQASA-N 2 1 398.469 3.996 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(OCC3CCOCC3)c(F)c2)CC[NH2+]1 ZINC001246440214 1037402066 /nfs/dbraw/zinc/40/20/66/1037402066.db2.gz GSYHJITZAKSZBM-WIYYLYMNSA-N 2 1 378.532 3.887 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246439560 1037402091 /nfs/dbraw/zinc/40/20/91/1037402091.db2.gz ZBZPQCXJFHMKJA-MOPGFXCFSA-N 3 1 383.502 3.818 20 0 GHADMP C[C@@H]1CC[C@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246444132 1037405460 /nfs/dbraw/zinc/40/54/60/1037405460.db2.gz VRPVJEJTVFBWOS-AXUOBQJMSA-N 3 1 380.374 3.662 20 0 GHADMP C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246444132 1037405468 /nfs/dbraw/zinc/40/54/68/1037405468.db2.gz VRPVJEJTVFBWOS-AXUOBQJMSA-N 3 1 380.374 3.662 20 0 GHADMP FC(F)(F)c1ccccc1C1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246454004 1037414505 /nfs/dbraw/zinc/41/45/05/1037414505.db2.gz ZJCNIKHWZUDAFF-APWZRJJASA-N 2 1 381.486 3.796 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)cc1 ZINC001246485725 1037432526 /nfs/dbraw/zinc/43/25/26/1037432526.db2.gz NBGXTLZJXXZQSI-WMZHIEFXSA-N 2 1 398.547 3.847 20 0 GHADMP [NH3+][C@H](CCCC[NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCc1ccccc1 ZINC001246485845 1037433266 /nfs/dbraw/zinc/43/32/66/1037433266.db2.gz OKDWNUANYXKKBM-DAWZGUTISA-N 2 1 386.458 3.938 20 0 GHADMP C[NH2+]C[C@H]1CCC[N@H+](C2CCC(C(=O)OC)(c3ccc(Cl)cc3)CC2)C1 ZINC001246554433 1037480571 /nfs/dbraw/zinc/48/05/71/1037480571.db2.gz ZSUYQYVWCBJYQX-YLZJTPGZSA-N 2 1 378.944 3.625 20 0 GHADMP C[C@@H]1C[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CCC[C@H]1C[NH3+] ZINC001246561755 1037480819 /nfs/dbraw/zinc/48/08/19/1037480819.db2.gz LJFRIHYEDWHZBG-PMAMDCHESA-N 2 1 383.580 3.624 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@@H](C)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001246603813 1037499405 /nfs/dbraw/zinc/49/94/05/1037499405.db2.gz OSUVIGDRVXHSTG-KBXCAEBGSA-N 2 1 399.362 3.932 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H](C)Cc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC001246603813 1037499420 /nfs/dbraw/zinc/49/94/20/1037499420.db2.gz OSUVIGDRVXHSTG-KBXCAEBGSA-N 2 1 399.362 3.932 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4cc(Br)cnc34)C2)C1 ZINC001278459053 1037519535 /nfs/dbraw/zinc/51/95/35/1037519535.db2.gz REPDJHJQPQZFRQ-GOSISDBHSA-N 2 1 377.330 3.633 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3c[nH]c4cc(Br)cnc34)C2)C1 ZINC001278459053 1037519541 /nfs/dbraw/zinc/51/95/41/1037519541.db2.gz REPDJHJQPQZFRQ-GOSISDBHSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3c[nH]c4cc(Br)cnc34)C2)C1 ZINC001278459053 1037519555 /nfs/dbraw/zinc/51/95/55/1037519555.db2.gz REPDJHJQPQZFRQ-GOSISDBHSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3c[nH]c4cc(Br)cnc34)C2)C1 ZINC001278459053 1037519572 /nfs/dbraw/zinc/51/95/72/1037519572.db2.gz REPDJHJQPQZFRQ-GOSISDBHSA-N 2 1 377.330 3.633 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001246632817 1037520566 /nfs/dbraw/zinc/52/05/66/1037520566.db2.gz ZPIMUBHRWWPIBB-IBGZPJMESA-N 2 1 398.497 3.968 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001246632817 1037520578 /nfs/dbraw/zinc/52/05/78/1037520578.db2.gz ZPIMUBHRWWPIBB-IBGZPJMESA-N 2 1 398.497 3.968 20 0 GHADMP c1ccc(CN2CCC([N@@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246681177 1037545063 /nfs/dbraw/zinc/54/50/63/1037545063.db2.gz HTRCOKDPZGZHLB-JWQCQUIFSA-N 2 1 375.560 3.730 20 0 GHADMP c1ccc(CN2CCC([N@H+]3CC[C@@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)CC2)cc1 ZINC001246681177 1037545078 /nfs/dbraw/zinc/54/50/78/1037545078.db2.gz HTRCOKDPZGZHLB-JWQCQUIFSA-N 2 1 375.560 3.730 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC[NH2+]1 ZINC001246697560 1037553489 /nfs/dbraw/zinc/55/34/89/1037553489.db2.gz VMIVXVGOHXEBCO-WIYYLYMNSA-N 2 1 382.527 3.850 20 0 GHADMP O=C1C[C@@]2(CC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1ccc(F)cc1 ZINC001246713949 1037564677 /nfs/dbraw/zinc/56/46/77/1037564677.db2.gz IQUVMNBBIBTTDH-IFMALSPDSA-N 2 1 385.527 3.709 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1ccc(F)cc1 ZINC001246714680 1037567393 /nfs/dbraw/zinc/56/73/93/1037567393.db2.gz MBXOFNIVFKJACG-GPXNEJASSA-N 2 1 393.506 3.748 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1ccc(F)cc1 ZINC001246714680 1037567414 /nfs/dbraw/zinc/56/74/14/1037567414.db2.gz MBXOFNIVFKJACG-GPXNEJASSA-N 2 1 393.506 3.748 20 0 GHADMP CC[C@@H]1C[C@@H](N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246716112 1037567544 /nfs/dbraw/zinc/56/75/44/1037567544.db2.gz SXZVQXFQHIURAT-UOKWYYLTSA-N 2 1 389.584 3.500 20 0 GHADMP CC[C@@H]1C[C@@H](N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246716112 1037567555 /nfs/dbraw/zinc/56/75/55/1037567555.db2.gz SXZVQXFQHIURAT-UOKWYYLTSA-N 2 1 389.584 3.500 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([N@H+]3C[C@H]4CCC[C@@]4(COc4cccnc4)C3)CC[NH2+]2)cc1 ZINC001246716517 1037569890 /nfs/dbraw/zinc/56/98/90/1037569890.db2.gz AHRZCLMTQRYLNB-QENXHYHDSA-N 2 1 391.559 3.926 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+]([C@H]2CCC4(C2)CC[NH2+]CC4)CCO3)c1 ZINC001246717428 1037570064 /nfs/dbraw/zinc/57/00/64/1037570064.db2.gz IIWAEZBQRPCABX-UPVQGACJSA-N 2 1 383.580 3.589 20 0 GHADMP C[C@H]1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)C[NH2+]1 ZINC001246719059 1037570320 /nfs/dbraw/zinc/57/03/20/1037570320.db2.gz JXRNNINHPUXOHD-RAKJYXHLSA-N 2 1 395.572 3.711 20 0 GHADMP C[C@H]1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)C[NH2+]1 ZINC001246719059 1037570347 /nfs/dbraw/zinc/57/03/47/1037570347.db2.gz JXRNNINHPUXOHD-RAKJYXHLSA-N 2 1 395.572 3.711 20 0 GHADMP CC[C@H]1CC(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749420 1037589014 /nfs/dbraw/zinc/58/90/14/1037589014.db2.gz WLJLMHOVQKLGTJ-GOTSBHOMSA-N 2 1 399.623 3.971 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766916 1037609807 /nfs/dbraw/zinc/60/98/07/1037609807.db2.gz OVIZDUFSCBTNLV-PDJNOVGNSA-N 2 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766916 1037609815 /nfs/dbraw/zinc/60/98/15/1037609815.db2.gz OVIZDUFSCBTNLV-PDJNOVGNSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766916 1037609827 /nfs/dbraw/zinc/60/98/27/1037609827.db2.gz OVIZDUFSCBTNLV-PDJNOVGNSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766916 1037609838 /nfs/dbraw/zinc/60/98/38/1037609838.db2.gz OVIZDUFSCBTNLV-PDJNOVGNSA-N 3 1 384.612 3.923 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)C[C@H](CC)[NH2+]1 ZINC001246766916 1037609844 /nfs/dbraw/zinc/60/98/44/1037609844.db2.gz OVIZDUFSCBTNLV-PDJNOVGNSA-N 3 1 384.612 3.923 20 0 GHADMP Fc1ccc2c(c1)CC[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246772894 1037614933 /nfs/dbraw/zinc/61/49/33/1037614933.db2.gz RUGMEDZAKGRHBF-OAQYLSRUSA-N 2 1 382.527 3.818 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246776531 1037617903 /nfs/dbraw/zinc/61/79/03/1037617903.db2.gz NZGFHAVZXHOCAC-PGRDOPGGSA-N 3 1 384.955 3.933 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246812764 1037645843 /nfs/dbraw/zinc/64/58/43/1037645843.db2.gz WDAHYKPXBVCHJJ-LRARRHDQSA-N 2 1 393.575 3.699 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)CC[NH2+]2)cc1 ZINC001246854230 1037676655 /nfs/dbraw/zinc/67/66/55/1037676655.db2.gz PPAPNGLJZFFEGG-LOSJGSFVSA-N 3 1 389.587 3.948 20 0 GHADMP C[N@@H+](Cc1c(F)cccc1Oc1ccc(Cl)cc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246862148 1037683483 /nfs/dbraw/zinc/68/34/83/1037683483.db2.gz VMWBQTKGAWAISL-MRXNPFEDSA-N 2 1 389.902 3.797 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)CC[NH2+]1 ZINC001246868297 1037685678 /nfs/dbraw/zinc/68/56/78/1037685678.db2.gz RTHJIZZGMJDWPK-OYDLWJJNSA-N 2 1 379.523 3.842 20 0 GHADMP C[C@H]1CC([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246879123 1037694351 /nfs/dbraw/zinc/69/43/51/1037694351.db2.gz LXDXNSUTKYGVTC-ROBHXDBVSA-N 3 1 389.587 3.901 20 0 GHADMP C[C@H]1CC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246879123 1037694383 /nfs/dbraw/zinc/69/43/83/1037694383.db2.gz LXDXNSUTKYGVTC-ROBHXDBVSA-N 3 1 389.587 3.901 20 0 GHADMP C[C@H]1CC([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001246879123 1037694396 /nfs/dbraw/zinc/69/43/96/1037694396.db2.gz LXDXNSUTKYGVTC-ROBHXDBVSA-N 2 1 389.587 3.901 20 0 GHADMP C[C@H]1CC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)C[C@H](C)N1Cc1ccccc1 ZINC001246879123 1037694410 /nfs/dbraw/zinc/69/44/10/1037694410.db2.gz LXDXNSUTKYGVTC-ROBHXDBVSA-N 2 1 389.587 3.901 20 0 GHADMP CCOC(=O)c1cc2cc(N3CC[NH+]([C@@H]4CC[NH2+][C@@H](C(C)C)C4)CC3)ccc2o1 ZINC001246882564 1037698781 /nfs/dbraw/zinc/69/87/81/1037698781.db2.gz JQRZNQWHIHMBMB-WOJBJXKFSA-N 2 1 399.535 3.508 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246893949 1037708618 /nfs/dbraw/zinc/70/86/18/1037708618.db2.gz YGYQNSHBVSWDPL-YADHBBJMSA-N 2 1 385.596 3.904 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](N(Cc3ccncc3)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246944295 1037748435 /nfs/dbraw/zinc/74/84/35/1037748435.db2.gz CBKSQCKPLQVQGQ-BJKOFHAPSA-N 2 1 378.564 3.690 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946553 1037750686 /nfs/dbraw/zinc/75/06/86/1037750686.db2.gz NTKIKOFTESJFBQ-SJORKVTESA-N 2 1 375.866 3.577 20 0 GHADMP COC(=O)C1(C)CCC([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246956040 1037765388 /nfs/dbraw/zinc/76/53/88/1037765388.db2.gz PVHLFZHNQDNDJH-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CC1 ZINC001246955261 1037766101 /nfs/dbraw/zinc/76/61/01/1037766101.db2.gz QVNUXEZCVZGFCC-GOSISDBHSA-N 2 1 393.959 3.905 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CC1 ZINC001246955261 1037766112 /nfs/dbraw/zinc/76/61/12/1037766112.db2.gz QVNUXEZCVZGFCC-GOSISDBHSA-N 2 1 393.959 3.905 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)C1 ZINC001246960942 1037780263 /nfs/dbraw/zinc/78/02/63/1037780263.db2.gz FFDJSPCYXDIQHN-DYESRHJHSA-N 2 1 376.516 3.810 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C1 ZINC001246961858 1037783197 /nfs/dbraw/zinc/78/31/97/1037783197.db2.gz BIEJHEILQIOTRX-FRIYVGAWSA-N 2 1 385.527 3.558 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001246961293 1037783572 /nfs/dbraw/zinc/78/35/72/1037783572.db2.gz PTEYWBRFEFRRGS-SFHVURJKSA-N 3 1 379.564 3.899 20 0 GHADMP Fc1cccc(F)c1CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246965801 1037788040 /nfs/dbraw/zinc/78/80/40/1037788040.db2.gz SHHMQLSQRBFGJJ-FQEVSTJZSA-N 2 1 385.502 3.793 20 0 GHADMP FC(F)(F)c1ccc([C@H]2C[NH2+]CCN2[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001246974633 1037796483 /nfs/dbraw/zinc/79/64/83/1037796483.db2.gz LDILFEJNVXVTTH-LEWJYISDSA-N 2 1 389.465 3.926 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)CC[C@H]2C1 ZINC001246976995 1037804298 /nfs/dbraw/zinc/80/42/98/1037804298.db2.gz XIWBGTASYWJOEM-LKFPXLSTSA-N 2 1 395.591 3.781 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC[NH2+]1 ZINC001246984336 1037808692 /nfs/dbraw/zinc/80/86/92/1037808692.db2.gz LJNRDBTYPMPMOE-GGAORHGYSA-N 2 1 379.548 3.918 20 0 GHADMP CCC[NH+](CCC)[C@@H](C)c1nc(-c2cccc(C[NH+]3CCN(C)CC3)c2)no1 ZINC001247418172 1038177567 /nfs/dbraw/zinc/17/75/67/1038177567.db2.gz YEIOQDPDGKIRRJ-SFHVURJKSA-N 2 1 385.556 3.667 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1N)CC2 ZINC001232507826 1038277648 /nfs/dbraw/zinc/27/76/48/1038277648.db2.gz HLCJTDNRBPCBJF-GOSISDBHSA-N 2 1 389.540 3.725 20 0 GHADMP CCOc1ccnc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232578742 1038347509 /nfs/dbraw/zinc/34/75/09/1038347509.db2.gz GUDYSPIHWSDXEF-QFIPXVFZSA-N 2 1 395.547 3.736 20 0 GHADMP CC1(C)C[NH2+][C@@](C)(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)C1 ZINC001247789111 1038382550 /nfs/dbraw/zinc/38/25/50/1038382550.db2.gz XGSVPYYKENROPP-DYESRHJHSA-N 2 1 381.455 3.843 20 0 GHADMP Clc1ccc(Cl)c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247905770 1038477141 /nfs/dbraw/zinc/47/71/41/1038477141.db2.gz QTDUJADPSCSYGV-LBPRGKRZSA-N 2 1 381.307 3.975 20 0 GHADMP Fc1c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cccc1C(F)(F)F ZINC001247906523 1038480713 /nfs/dbraw/zinc/48/07/13/1038480713.db2.gz PNKHJQHCVYJBPE-GFCCVEGCSA-N 2 1 398.404 3.826 20 0 GHADMP Cc1cc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc(C(F)(F)F)c1 ZINC001247908870 1038481856 /nfs/dbraw/zinc/48/18/56/1038481856.db2.gz DYCQVAFYPUJGTD-UHFFFAOYSA-N 2 1 394.441 3.995 20 0 GHADMP Cc1ccc2cccc(-c3noc(C4CC[NH+](C5CC[NH2+]CC5)CC4)n3)c2n1 ZINC001247909760 1038483281 /nfs/dbraw/zinc/48/32/81/1038483281.db2.gz PUXPMEMNFMKHMJ-UHFFFAOYSA-N 2 1 377.492 3.525 20 0 GHADMP Clc1ccnc2c(-c3noc(C4CC[NH+](C5CC[NH2+]CC5)CC4)n3)cccc12 ZINC001247909459 1038485760 /nfs/dbraw/zinc/48/57/60/1038485760.db2.gz NNIOQZFPGHHDQE-UHFFFAOYSA-N 2 1 397.910 3.870 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1-n1cccc1)C2 ZINC001232910586 1038708079 /nfs/dbraw/zinc/70/80/79/1038708079.db2.gz CCLHAOYAQTXANF-VWNXMTODSA-N 2 1 379.548 3.658 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1-n1cccc1)C2 ZINC001232910586 1038708083 /nfs/dbraw/zinc/70/80/83/1038708083.db2.gz CCLHAOYAQTXANF-VWNXMTODSA-N 2 1 379.548 3.658 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1-n1cccc1)C2 ZINC001232910586 1038708091 /nfs/dbraw/zinc/70/80/91/1038708091.db2.gz CCLHAOYAQTXANF-VWNXMTODSA-N 2 1 379.548 3.658 20 0 GHADMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001233035721 1038791988 /nfs/dbraw/zinc/79/19/88/1038791988.db2.gz IDIZSTILGCELRZ-SFHVURJKSA-N 2 1 375.900 3.910 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc(Cl)ncc1O)CC2 ZINC001233035721 1038792001 /nfs/dbraw/zinc/79/20/01/1038792001.db2.gz IDIZSTILGCELRZ-SFHVURJKSA-N 2 1 375.900 3.910 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001252843603 1039202916 /nfs/dbraw/zinc/20/29/16/1039202916.db2.gz WJJRXUJQSSZOJU-XZOQPEGZSA-N 2 1 398.522 3.615 20 0 GHADMP O[C@@]1(C[NH+]2CCC3(CCc4ccccc43)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252923981 1039262279 /nfs/dbraw/zinc/26/22/79/1039262279.db2.gz USBQOQCHAVCKPO-RUZDIDTESA-N 2 1 376.544 3.603 20 0 GHADMP O[C@@]1(C[NH+]2CCC3(CCc4ccccc43)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252923981 1039262287 /nfs/dbraw/zinc/26/22/87/1039262287.db2.gz USBQOQCHAVCKPO-RUZDIDTESA-N 2 1 376.544 3.603 20 0 GHADMP O[C@@]1(CNc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252938832 1039281971 /nfs/dbraw/zinc/28/19/71/1039281971.db2.gz YVAFBAZTHANDLN-XMMPIXPASA-N 2 1 379.548 3.721 20 0 GHADMP Oc1ccc([C@@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949310 1039293018 /nfs/dbraw/zinc/29/30/18/1039293018.db2.gz JOORSBJCRXTGIR-LOSJGSFVSA-N 2 1 388.511 3.708 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Br)ncc2Cl)CC1 ZINC001233426695 1039296306 /nfs/dbraw/zinc/29/63/06/1039296306.db2.gz UHCODDZUEJLUDP-UHFFFAOYSA-N 2 1 395.732 3.940 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001253003108 1039330884 /nfs/dbraw/zinc/33/08/84/1039330884.db2.gz ZVFBTWXAAMMRLC-UNMCSNQZSA-N 2 1 380.617 3.921 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001253003108 1039330899 /nfs/dbraw/zinc/33/08/99/1039330899.db2.gz ZVFBTWXAAMMRLC-UNMCSNQZSA-N 2 1 380.617 3.921 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001253104019 1039426854 /nfs/dbraw/zinc/42/68/54/1039426854.db2.gz OMWXGZYYIYUMAF-COXVUDFISA-N 2 1 382.346 3.629 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@H](c2ccccc2)C1 ZINC001462367783 1070205349 /nfs/dbraw/zinc/20/53/49/1070205349.db2.gz PIWROJRKCJDLLC-KVEDYDLGSA-N 2 1 399.579 3.709 20 0 GHADMP c1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc5c(n4)OCCO5)C3)CC2)cc1 ZINC001233894478 1039689225 /nfs/dbraw/zinc/68/92/25/1039689225.db2.gz HWPNHXDNTFKTRL-UHFFFAOYSA-N 2 1 393.531 3.731 20 0 GHADMP C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)[C@@]35CCCC[C@@H]3[C@@H](C4)[NH+](C)CC5)[C@H]1CC(=O)C2 ZINC001233939462 1039715219 /nfs/dbraw/zinc/71/52/19/1039715219.db2.gz NTWIOBZVGSOTSB-RXBYFRPHSA-N 2 1 394.559 3.558 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001253822285 1039827945 /nfs/dbraw/zinc/82/79/45/1039827945.db2.gz HKAYKXPOIPZFND-NFBKMPQASA-N 2 1 398.547 3.704 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(c3ccccc3Br)CCOCC2)CC1 ZINC001254507329 1040287055 /nfs/dbraw/zinc/28/70/55/1040287055.db2.gz AUDILOQBVSEARY-INIZCTEOSA-N 2 1 381.358 3.571 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254510978 1040290112 /nfs/dbraw/zinc/29/01/12/1040290112.db2.gz SPLBUDDORFJQCF-JIGPKXGUSA-N 2 1 399.535 3.529 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001254510978 1040290125 /nfs/dbraw/zinc/29/01/25/1040290125.db2.gz SPLBUDDORFJQCF-JIGPKXGUSA-N 2 1 399.535 3.529 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)CC1 ZINC001254523697 1040296487 /nfs/dbraw/zinc/29/64/87/1040296487.db2.gz QXPWCYCXFDKLBI-HSZRJFAPSA-N 2 1 383.580 3.735 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531741 1040303904 /nfs/dbraw/zinc/30/39/04/1040303904.db2.gz KWYXQXVPODXGLB-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531741 1040303915 /nfs/dbraw/zinc/30/39/15/1040303915.db2.gz KWYXQXVPODXGLB-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531741 1040303922 /nfs/dbraw/zinc/30/39/22/1040303922.db2.gz KWYXQXVPODXGLB-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP COC(=O)c1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963757 1040466484 /nfs/dbraw/zinc/46/64/84/1040466484.db2.gz GPVLRHKTYQVKGZ-DEOSSOPVSA-N 2 1 394.515 3.580 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCCNc2ccc(C)c[nH+]2)[NH+]2CCCC2)cc1 ZINC001234994910 1040490315 /nfs/dbraw/zinc/49/03/15/1040490315.db2.gz NEJPOUWKKOICIO-OAQYLSRUSA-N 2 1 395.551 3.637 20 0 GHADMP c1[nH]c2ccc(OCc3ccccc3)cc2c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235035103 1040529080 /nfs/dbraw/zinc/52/90/80/1040529080.db2.gz ANNWPZLMVREKPO-NTKDMRAZSA-N 2 1 391.515 3.557 20 0 GHADMP Clc1cc(Cl)cc(-c2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235064683 1040554326 /nfs/dbraw/zinc/55/43/26/1040554326.db2.gz STUTVSLXGLNLPC-HXUWFJFHSA-N 2 1 376.331 3.798 20 0 GHADMP Clc1cc(Cl)cc(-c2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC001235064683 1040554343 /nfs/dbraw/zinc/55/43/43/1040554343.db2.gz STUTVSLXGLNLPC-HXUWFJFHSA-N 2 1 376.331 3.798 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793971 1040554547 /nfs/dbraw/zinc/55/45/47/1040554547.db2.gz UATSUGMYOSYLEZ-MJGOQNOKSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793971 1040554564 /nfs/dbraw/zinc/55/45/64/1040554564.db2.gz UATSUGMYOSYLEZ-MJGOQNOKSA-N 2 1 379.589 3.876 20 0 GHADMP Brc1cccc(Br)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235093265 1040583128 /nfs/dbraw/zinc/58/31/28/1040583128.db2.gz RQVVWDUBGISVNS-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)C[C@@H]2C1 ZINC001254891888 1040645376 /nfs/dbraw/zinc/64/53/76/1040645376.db2.gz CHWWMEWSXROLAP-JSXRDJHFSA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)C[C@@H]2C1 ZINC001254891888 1040645383 /nfs/dbraw/zinc/64/53/83/1040645383.db2.gz CHWWMEWSXROLAP-JSXRDJHFSA-N 2 1 391.600 3.876 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)cn1 ZINC001235160224 1040653837 /nfs/dbraw/zinc/65/38/37/1040653837.db2.gz ZSDGCGKZPYKFCP-QGZVFWFLSA-N 2 1 382.346 3.597 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001255007670 1040725453 /nfs/dbraw/zinc/72/54/53/1040725453.db2.gz ZVHKEKVBIFDHMH-LUPIEKBUSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001255007670 1040725464 /nfs/dbraw/zinc/72/54/64/1040725464.db2.gz ZVHKEKVBIFDHMH-LUPIEKBUSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001255007670 1040725477 /nfs/dbraw/zinc/72/54/77/1040725477.db2.gz ZVHKEKVBIFDHMH-LUPIEKBUSA-N 2 1 397.607 3.757 20 0 GHADMP C[C@H](CO)C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069312 1040763507 /nfs/dbraw/zinc/76/35/07/1040763507.db2.gz JMPCYTHWYDIDKI-MNPDLOSFSA-N 2 1 378.560 3.969 20 0 GHADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068709 1040763570 /nfs/dbraw/zinc/76/35/70/1040763570.db2.gz BNYDPFJFXSPEFL-FXEFVXDJSA-N 2 1 376.544 3.864 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@@H]([NH2+]CC4OCCO4)C[C@@H]23)cc1 ZINC001255068751 1040763800 /nfs/dbraw/zinc/76/38/00/1040763800.db2.gz CDMLBQOLXVRKEK-VDKIKQQVSA-N 2 1 392.543 3.714 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C(N)=O ZINC001255073675 1040766573 /nfs/dbraw/zinc/76/65/73/1040766573.db2.gz PMCIOXLMRWZUOU-STAYPELNSA-N 2 1 391.559 3.605 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c(F)cn1 ZINC001235318354 1040791731 /nfs/dbraw/zinc/79/17/31/1040791731.db2.gz SUYWNTVEMSDTHZ-UHFFFAOYSA-N 2 1 375.513 3.779 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001235321658 1040793740 /nfs/dbraw/zinc/79/37/40/1040793740.db2.gz QLIJGPVYMRAKBO-WMZHIEFXSA-N 2 1 388.527 3.587 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC001235324910 1040794179 /nfs/dbraw/zinc/79/41/79/1040794179.db2.gz MTPZGBHHVOERFH-SIKLNZKXSA-N 2 1 390.955 3.527 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CCC4(CC[NH+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001255115311 1040798924 /nfs/dbraw/zinc/79/89/24/1040798924.db2.gz MDKJLKDNGHNVOP-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001255115311 1040798929 /nfs/dbraw/zinc/79/89/29/1040798929.db2.gz MDKJLKDNGHNVOP-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)C2)cc1 ZINC001255115311 1040798946 /nfs/dbraw/zinc/79/89/46/1040798946.db2.gz MDKJLKDNGHNVOP-XMMPIXPASA-N 2 1 390.575 3.644 20 0 GHADMP CCCCCCc1ccc(C[N@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)s1 ZINC001235334017 1040804954 /nfs/dbraw/zinc/80/49/54/1040804954.db2.gz HDMBQBHDCYWMDT-QEMXTEJRSA-N 2 1 390.593 3.701 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CCC([NH+]4CCc5ccccc5C4)CC3)C2)cc1 ZINC001255119053 1040806890 /nfs/dbraw/zinc/80/68/90/1040806890.db2.gz KJTIKLMSHLLLRV-VWLOTQADSA-N 2 1 375.560 3.784 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CCC([N@@H+]4CCc5ccccc5C4)CC3)C2)cc1 ZINC001255119053 1040806901 /nfs/dbraw/zinc/80/69/01/1040806901.db2.gz KJTIKLMSHLLLRV-VWLOTQADSA-N 2 1 375.560 3.784 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)C2)cc1 ZINC001255119053 1040806916 /nfs/dbraw/zinc/80/69/16/1040806916.db2.gz KJTIKLMSHLLLRV-VWLOTQADSA-N 2 1 375.560 3.784 20 0 GHADMP c1ccc(C[NH+]2CC3(C2)CCN([C@H]2CC[N@@H+](Cc4ccccc4)C2)CC3)cc1 ZINC001255119586 1040809237 /nfs/dbraw/zinc/80/92/37/1040809237.db2.gz WIQCJTOCLDXHHS-DEOSSOPVSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(CN2CC[C@H]([NH+]3CCC4(C[NH+](Cc5ccccc5)C4)CC3)C2)cc1 ZINC001255119586 1040809256 /nfs/dbraw/zinc/80/92/56/1040809256.db2.gz WIQCJTOCLDXHHS-DEOSSOPVSA-N 2 1 375.560 3.859 20 0 GHADMP C[N@@H+](Cc1cccc(F)c1)C1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001255120974 1040809397 /nfs/dbraw/zinc/80/93/97/1040809397.db2.gz VHWZCMCFQHISEK-DEOSSOPVSA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1cccc(F)c1)C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255120974 1040809416 /nfs/dbraw/zinc/80/94/16/1040809416.db2.gz VHWZCMCFQHISEK-DEOSSOPVSA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1cccc(F)c1)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255120974 1040809430 /nfs/dbraw/zinc/80/94/30/1040809430.db2.gz VHWZCMCFQHISEK-DEOSSOPVSA-N 2 1 381.539 3.996 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)ccc1Br ZINC001235341036 1040810471 /nfs/dbraw/zinc/81/04/71/1040810471.db2.gz YLGGERCKOYAIAI-UHFFFAOYSA-N 2 1 377.248 3.899 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255122885 1040812465 /nfs/dbraw/zinc/81/24/65/1040812465.db2.gz WYKDMZDSNIKQPG-ROLQDKDTSA-N 2 1 397.563 3.781 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123571 1040814564 /nfs/dbraw/zinc/81/45/64/1040814564.db2.gz CWRHYUIYQZUULU-WOZUAGRISA-N 2 1 385.552 3.781 20 0 GHADMP COc1cccc([C@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255123863 1040814660 /nfs/dbraw/zinc/81/46/60/1040814660.db2.gz FEQWYLHZVFETEJ-YCSHWKNNSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255123863 1040814661 /nfs/dbraw/zinc/81/46/61/1040814661.db2.gz FEQWYLHZVFETEJ-YCSHWKNNSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255123858 1040815094 /nfs/dbraw/zinc/81/50/94/1040815094.db2.gz FEQWYLHZVFETEJ-PIATZUFCSA-N 2 1 380.532 3.904 20 0 GHADMP COc1cccc([C@@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255123858 1040815105 /nfs/dbraw/zinc/81/51/05/1040815105.db2.gz FEQWYLHZVFETEJ-PIATZUFCSA-N 2 1 380.532 3.904 20 0 GHADMP C[NH+]1CCC(N(Cc2ccc(F)cc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255123195 1040816080 /nfs/dbraw/zinc/81/60/80/1040816080.db2.gz OWRWWIFZOSXDOD-XMMPIXPASA-N 2 1 381.539 3.996 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001255131109 1040824844 /nfs/dbraw/zinc/82/48/44/1040824844.db2.gz YEWGBDWRLIPJMW-VILGAWFOSA-N 3 1 376.548 3.836 20 0 GHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001255131109 1040824851 /nfs/dbraw/zinc/82/48/51/1040824851.db2.gz YEWGBDWRLIPJMW-VILGAWFOSA-N 2 1 376.548 3.836 20 0 GHADMP CCC(CC)C(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255130663 1040825611 /nfs/dbraw/zinc/82/56/11/1040825611.db2.gz HBTJFJWAGYSUBP-BXXSPATCSA-N 2 1 383.580 3.809 20 0 GHADMP N[C@H]([C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136032 1040836803 /nfs/dbraw/zinc/83/68/03/1040836803.db2.gz LQXVMMDGLZHZQJ-CENDIDJXSA-N 2 1 381.486 3.784 20 0 GHADMP N[C@H]([C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136032 1040836809 /nfs/dbraw/zinc/83/68/09/1040836809.db2.gz LQXVMMDGLZHZQJ-CENDIDJXSA-N 2 1 381.486 3.784 20 0 GHADMP N[C@H]([C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136032 1040836821 /nfs/dbraw/zinc/83/68/21/1040836821.db2.gz LQXVMMDGLZHZQJ-CENDIDJXSA-N 2 1 381.486 3.784 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136679 1040840187 /nfs/dbraw/zinc/84/01/87/1040840187.db2.gz MWBRGWPFINASDQ-NUNAXRQHSA-N 2 1 376.548 3.789 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136679 1040840200 /nfs/dbraw/zinc/84/02/00/1040840200.db2.gz MWBRGWPFINASDQ-NUNAXRQHSA-N 2 1 376.548 3.789 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCCN(c4ccccn4)CC2)C3)cc1 ZINC001255136679 1040840214 /nfs/dbraw/zinc/84/02/14/1040840214.db2.gz MWBRGWPFINASDQ-NUNAXRQHSA-N 2 1 376.548 3.789 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1OC ZINC001235364783 1040851697 /nfs/dbraw/zinc/85/16/97/1040851697.db2.gz MTRHBOMURHSLHK-URXFXBBRSA-N 2 1 380.532 3.765 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CN3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001235365363 1040854847 /nfs/dbraw/zinc/85/48/47/1040854847.db2.gz NYCBWAFWIRKCSK-AYRHNUGRSA-N 2 1 389.587 3.762 20 0 GHADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235365259 1040856973 /nfs/dbraw/zinc/85/69/73/1040856973.db2.gz NKYKZIKBXOIHLN-ILBGXUMGSA-N 2 1 386.543 3.934 20 0 GHADMP CCC[N@H+](C1CCN(C(C)=O)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255148298 1040862960 /nfs/dbraw/zinc/86/29/60/1040862960.db2.gz UESKNZJVAJEHKV-BKFWDETESA-N 2 1 383.580 3.905 20 0 GHADMP CCC[N@@H+](C1CCN(C(C)=O)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001255148298 1040862965 /nfs/dbraw/zinc/86/29/65/1040862965.db2.gz UESKNZJVAJEHKV-BKFWDETESA-N 2 1 383.580 3.905 20 0 GHADMP CCC[NH+](C1CCN(C(C)=O)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148298 1040862970 /nfs/dbraw/zinc/86/29/70/1040862970.db2.gz UESKNZJVAJEHKV-BKFWDETESA-N 2 1 383.580 3.905 20 0 GHADMP CCC[NH+](C1CCN(C(C)=O)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148298 1040862982 /nfs/dbraw/zinc/86/29/82/1040862982.db2.gz UESKNZJVAJEHKV-BKFWDETESA-N 2 1 383.580 3.905 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)c1 ZINC001255150082 1040865843 /nfs/dbraw/zinc/86/58/43/1040865843.db2.gz LNXYBTKUWBLMLK-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)c1 ZINC001255150082 1040865848 /nfs/dbraw/zinc/86/58/48/1040865848.db2.gz LNXYBTKUWBLMLK-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c1 ZINC001255150082 1040865867 /nfs/dbraw/zinc/86/58/67/1040865867.db2.gz LNXYBTKUWBLMLK-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c1 ZINC001255150082 1040865881 /nfs/dbraw/zinc/86/58/81/1040865881.db2.gz LNXYBTKUWBLMLK-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP CCN1CCC2(CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1=O ZINC001255151260 1040871646 /nfs/dbraw/zinc/87/16/46/1040871646.db2.gz VBXNFBBKQFLLCL-ZBYYUNFXSA-N 2 1 381.564 3.516 20 0 GHADMP COc1ccccc1Sc1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1 ZINC001235378767 1040897134 /nfs/dbraw/zinc/89/71/34/1040897134.db2.gz JUSHKXJXYZRUGP-YCRNBWNJSA-N 2 1 396.556 3.799 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255193296 1040899758 /nfs/dbraw/zinc/89/97/58/1040899758.db2.gz WEDGILJKMULNEU-YWRVKSOHSA-N 2 1 397.563 3.924 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235401049 1040914621 /nfs/dbraw/zinc/91/46/21/1040914621.db2.gz FWVZCFCOGXBUEL-ZWKOTPCHSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3cc(Br)cnc3c1)C2 ZINC001235401049 1040914625 /nfs/dbraw/zinc/91/46/25/1040914625.db2.gz FWVZCFCOGXBUEL-ZWKOTPCHSA-N 2 1 378.289 3.521 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)cc2)cc1 ZINC001235409902 1040919415 /nfs/dbraw/zinc/91/94/15/1040919415.db2.gz XRQGSJXOARNFOB-GOTSBHOMSA-N 2 1 383.511 3.987 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)cc2)cc1 ZINC001235409341 1040919816 /nfs/dbraw/zinc/91/98/16/1040919816.db2.gz WLPZITYKDZHHSN-GMAHTHKFSA-N 2 1 382.479 3.664 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC)cc1Br ZINC001235426380 1040927987 /nfs/dbraw/zinc/92/79/87/1040927987.db2.gz KQWHNXYBZMDCTF-GJZGRUSLSA-N 2 1 397.357 3.678 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235427525 1040928450 /nfs/dbraw/zinc/92/84/50/1040928450.db2.gz MDFYICOBBGPRKK-ZWKOTPCHSA-N 2 1 383.536 3.865 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235432872 1040934962 /nfs/dbraw/zinc/93/49/62/1040934962.db2.gz WSZOSOWINGPWNG-HOTGVXAUSA-N 2 1 398.332 3.811 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@@H+](Cc2cc4c(s2)CC[NH2+]C4)CC3)c1 ZINC001235482832 1040955909 /nfs/dbraw/zinc/95/59/09/1040955909.db2.gz NUWAJWMNGTZFLK-UHFFFAOYSA-N 2 1 394.519 3.591 20 0 GHADMP c1cncc(CO[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CCC[NH2+]C2CCCCC2)C3)c1 ZINC001235515386 1040970703 /nfs/dbraw/zinc/97/07/03/1040970703.db2.gz BHDWMGKFUAGPEV-XZOQPEGZSA-N 2 1 387.568 3.534 20 0 GHADMP c1cncc(CO[C@@H]2CO[C@@]3(C2)CCC[N@H+](CCC[NH2+]C2CCCCC2)C3)c1 ZINC001235515386 1040970704 /nfs/dbraw/zinc/97/07/04/1040970704.db2.gz BHDWMGKFUAGPEV-XZOQPEGZSA-N 2 1 387.568 3.534 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255389576 1040978265 /nfs/dbraw/zinc/97/82/65/1040978265.db2.gz NYULSRRQSIDMFT-VWLOTQADSA-N 3 1 399.623 3.769 20 0 GHADMP c1ccc(CN2CCC[C@H]([NH2+]CC3CC[NH+](CC4CCOCC4)CC3)CC2)cc1 ZINC001255389576 1040978270 /nfs/dbraw/zinc/97/82/70/1040978270.db2.gz NYULSRRQSIDMFT-VWLOTQADSA-N 2 1 399.623 3.769 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390933 1040979495 /nfs/dbraw/zinc/97/94/95/1040979495.db2.gz LJRXWXOGKITESG-ZEQRLZLVSA-N 2 1 393.575 3.914 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255393212 1040981156 /nfs/dbraw/zinc/98/11/56/1040981156.db2.gz MKYQDHSAXILMGP-DNQXCXABSA-N 2 1 391.559 3.936 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255401659 1040988841 /nfs/dbraw/zinc/98/88/41/1040988841.db2.gz KEEHWGYHXFDXPR-GBXCKJPGSA-N 2 1 375.516 3.637 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255401659 1040988848 /nfs/dbraw/zinc/98/88/48/1040988848.db2.gz KEEHWGYHXFDXPR-GBXCKJPGSA-N 2 1 375.516 3.637 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255401659 1040988856 /nfs/dbraw/zinc/98/88/56/1040988856.db2.gz KEEHWGYHXFDXPR-GBXCKJPGSA-N 2 1 375.516 3.637 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001255405288 1040993405 /nfs/dbraw/zinc/99/34/05/1040993405.db2.gz YYDCROAPCOYHLJ-VJBWXMMDSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001255405288 1040993409 /nfs/dbraw/zinc/99/34/09/1040993409.db2.gz YYDCROAPCOYHLJ-VJBWXMMDSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[C@@H]21 ZINC001255405288 1040993417 /nfs/dbraw/zinc/99/34/17/1040993417.db2.gz YYDCROAPCOYHLJ-VJBWXMMDSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001235594523 1041006452 /nfs/dbraw/zinc/00/64/52/1041006452.db2.gz RRVMZTHMLHVTNO-HSALFYBXSA-N 2 1 389.609 3.946 20 0 GHADMP Fc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4ccc5c(c4)C[NH2+]C5)C3)C2)c1 ZINC001235596434 1041007255 /nfs/dbraw/zinc/00/72/55/1041007255.db2.gz JGAKBURASJYHOK-XMMPIXPASA-N 2 1 395.522 3.548 20 0 GHADMP COC1CCC([N@H+]2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)CC1 ZINC001255462497 1041065062 /nfs/dbraw/zinc/06/50/62/1041065062.db2.gz YOJDCKSEABPAPY-SOAGJPPSSA-N 2 1 379.495 3.572 20 0 GHADMP COC1CCC(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001255462497 1041065064 /nfs/dbraw/zinc/06/50/64/1041065064.db2.gz YOJDCKSEABPAPY-SOAGJPPSSA-N 2 1 379.495 3.572 20 0 GHADMP COC1CCC(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001255462497 1041065069 /nfs/dbraw/zinc/06/50/69/1041065069.db2.gz YOJDCKSEABPAPY-SOAGJPPSSA-N 2 1 379.495 3.572 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+](C1CCC(C(C)(C)C)CC1)CCC2 ZINC001255503017 1041096593 /nfs/dbraw/zinc/09/65/93/1041096593.db2.gz OXTGSFOTIIPKON-UHFFFAOYSA-N 2 1 376.589 3.772 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H]([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)C1 ZINC001255713567 1041238981 /nfs/dbraw/zinc/23/89/81/1041238981.db2.gz DZPBIQWNSBKQQI-IRXDYDNUSA-N 2 1 384.490 3.848 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716568 1041243883 /nfs/dbraw/zinc/24/38/83/1041243883.db2.gz NIWZFAMOUKQAGB-GFEQUFNTSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716568 1041243893 /nfs/dbraw/zinc/24/38/93/1041243893.db2.gz NIWZFAMOUKQAGB-GFEQUFNTSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716568 1041243908 /nfs/dbraw/zinc/24/39/08/1041243908.db2.gz NIWZFAMOUKQAGB-GFEQUFNTSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716568 1041243925 /nfs/dbraw/zinc/24/39/25/1041243925.db2.gz NIWZFAMOUKQAGB-GFEQUFNTSA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001235835550 1041360557 /nfs/dbraw/zinc/36/05/57/1041360557.db2.gz WQVAJMIMYKERDJ-WDYCEAGBSA-N 2 1 389.609 3.689 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3sc(C)nc3c1)C2 ZINC001235858366 1041386881 /nfs/dbraw/zinc/38/68/81/1041386881.db2.gz IRYGWAGNZIWZQR-UGKGYDQZSA-N 2 1 385.577 3.785 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3sc(C)nc3c1)C2 ZINC001235858366 1041386903 /nfs/dbraw/zinc/38/69/03/1041386903.db2.gz IRYGWAGNZIWZQR-UGKGYDQZSA-N 2 1 385.577 3.785 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3sc(C)nc3c1)C2 ZINC001235858366 1041386912 /nfs/dbraw/zinc/38/69/12/1041386912.db2.gz IRYGWAGNZIWZQR-UGKGYDQZSA-N 2 1 385.577 3.785 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3sc(C)nc3c1)C2 ZINC001235858366 1041386922 /nfs/dbraw/zinc/38/69/22/1041386922.db2.gz IRYGWAGNZIWZQR-UGKGYDQZSA-N 2 1 385.577 3.785 20 0 GHADMP COc1cccc(OC)c1C[NH+]1CCC(NC(=[NH2+])c2ccc(F)c(F)c2)CC1 ZINC001255922884 1041411748 /nfs/dbraw/zinc/41/17/48/1041411748.db2.gz XHHFTMMHUZHFGO-UHFFFAOYSA-N 2 1 389.446 3.562 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC001235893708 1041416695 /nfs/dbraw/zinc/41/66/95/1041416695.db2.gz QTKSLLBZKQPDHU-CRAIPNDOSA-N 2 1 378.358 3.623 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC001255958932 1041435979 /nfs/dbraw/zinc/43/59/79/1041435979.db2.gz HSGCYAXOKIKXBK-KRWDZBQOSA-N 2 1 392.613 3.529 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001255958585 1041436346 /nfs/dbraw/zinc/43/63/46/1041436346.db2.gz DLCDLGZFVOFCOC-INIZCTEOSA-N 2 1 383.374 3.853 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001255958715 1041436526 /nfs/dbraw/zinc/43/65/26/1041436526.db2.gz FDAOAZYCLWWSNK-WOJBJXKFSA-N 2 1 393.641 3.924 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964535 1041444496 /nfs/dbraw/zinc/44/44/96/1041444496.db2.gz ZGAHXLVZMCVJMD-XUZZJYLKSA-N 2 1 385.596 3.664 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001255968773 1041448130 /nfs/dbraw/zinc/44/81/30/1041448130.db2.gz IFLXGIQLSYBNMX-LJQANCHMSA-N 2 1 377.548 3.527 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001235947848 1041454101 /nfs/dbraw/zinc/45/41/01/1041454101.db2.gz LLRKQFQNCJQFOM-TZMCWYRMSA-N 2 1 378.294 3.606 20 0 GHADMP C[N@H+](Cc1cccc(C(=O)NCC[NH3+])c1)Cc1ccccc1Oc1ccccc1 ZINC001235969162 1041473369 /nfs/dbraw/zinc/47/33/69/1041473369.db2.gz OVLQJWFNFKNOGB-UHFFFAOYSA-N 2 1 389.499 3.799 20 0 GHADMP C[N@@H+](Cc1cccc(C(=O)NCC[NH3+])c1)Cc1ccccc1Oc1ccccc1 ZINC001235969162 1041473382 /nfs/dbraw/zinc/47/33/82/1041473382.db2.gz OVLQJWFNFKNOGB-UHFFFAOYSA-N 2 1 389.499 3.799 20 0 GHADMP COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236066174 1041519056 /nfs/dbraw/zinc/51/90/56/1041519056.db2.gz GCQBAZJBSHFUKQ-VXKWHMMOSA-N 2 1 380.532 3.766 20 0 GHADMP COC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001236066174 1041519066 /nfs/dbraw/zinc/51/90/66/1041519066.db2.gz GCQBAZJBSHFUKQ-VXKWHMMOSA-N 2 1 380.532 3.766 20 0 GHADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2)C1 ZINC001236072215 1041522981 /nfs/dbraw/zinc/52/29/81/1041522981.db2.gz FMKRTFXJQLJSTH-OAHLLOKOSA-N 2 1 380.319 3.861 20 0 GHADMP FC(F)(F)c1cccc2c1CC[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001236084970 1041526047 /nfs/dbraw/zinc/52/60/47/1041526047.db2.gz HWUXOXKERFKFEN-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP FC(F)(F)c1cccc2c1CC[N@@H+](Cc1cccc(N3CC[NH2+]CC3)c1)C2 ZINC001236084970 1041526056 /nfs/dbraw/zinc/52/60/56/1041526056.db2.gz HWUXOXKERFKFEN-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236098493 1041534648 /nfs/dbraw/zinc/53/46/48/1041534648.db2.gz QPIKRZRDFFGERI-TZIWHRDSSA-N 2 1 384.545 3.705 20 0 GHADMP FC(F)(F)c1ccc(C(F)(F)F)c(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC001236127432 1041553453 /nfs/dbraw/zinc/55/34/53/1041553453.db2.gz HQNJGKMQHCBZNX-UHFFFAOYSA-N 2 1 395.391 3.594 20 0 GHADMP FC(F)(F)c1cccc(CN2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)c1 ZINC001236143705 1041566670 /nfs/dbraw/zinc/56/66/70/1041566670.db2.gz JUQNTQLZFYZPNH-UHFFFAOYSA-N 2 1 395.494 3.730 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001236145915 1041570291 /nfs/dbraw/zinc/57/02/91/1041570291.db2.gz PRRHVYHQWASJIL-FQEVSTJZSA-N 2 1 399.604 3.889 20 0 GHADMP COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001236145915 1041570310 /nfs/dbraw/zinc/57/03/10/1041570310.db2.gz PRRHVYHQWASJIL-FQEVSTJZSA-N 2 1 399.604 3.889 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001236145915 1041570332 /nfs/dbraw/zinc/57/03/32/1041570332.db2.gz PRRHVYHQWASJIL-FQEVSTJZSA-N 2 1 399.604 3.889 20 0 GHADMP C[C@H](Cc1cccc(Br)c1)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001256179891 1041624212 /nfs/dbraw/zinc/62/42/12/1041624212.db2.gz XMQMRYHGFOVEHE-MRXNPFEDSA-N 2 1 388.353 3.811 20 0 GHADMP CCOC(=O)COc1cccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)c1 ZINC001236231703 1041634890 /nfs/dbraw/zinc/63/48/90/1041634890.db2.gz SEADMQJGIRNMSR-UHFFFAOYSA-N 2 1 396.531 3.901 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300549 1041664779 /nfs/dbraw/zinc/66/47/79/1041664779.db2.gz RSLWRJZBZJDPSJ-UHFFFAOYSA-N 2 1 379.426 3.922 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236300549 1041664785 /nfs/dbraw/zinc/66/47/85/1041664785.db2.gz RSLWRJZBZJDPSJ-UHFFFAOYSA-N 2 1 379.426 3.922 20 0 GHADMP Clc1nc2[nH]cc(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)c2c(Cl)n1 ZINC001236305361 1041666901 /nfs/dbraw/zinc/66/69/01/1041666901.db2.gz UNSGQSCSRTUBRJ-UHFFFAOYSA-N 2 1 390.318 3.971 20 0 GHADMP Clc1nc2[nH]cc(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)c2c(Cl)n1 ZINC001236305361 1041666906 /nfs/dbraw/zinc/66/69/06/1041666906.db2.gz UNSGQSCSRTUBRJ-UHFFFAOYSA-N 2 1 390.318 3.971 20 0 GHADMP FC(F)(F)c1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1Br ZINC001236320547 1041669829 /nfs/dbraw/zinc/66/98/29/1041669829.db2.gz INZXIHSSOYEGND-TXEJJXNPSA-N 2 1 377.248 3.899 20 0 GHADMP CC(C)CC[C@H](C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256367249 1041711440 /nfs/dbraw/zinc/71/14/40/1041711440.db2.gz APNFBSUKFGVIEW-NRFANRHFSA-N 2 1 385.596 3.868 20 0 GHADMP CC(C)(C)C[N@H+](Cc1cn2c(cccc2Br)n1)C1CC[NH2+]CC1 ZINC001236457320 1041720328 /nfs/dbraw/zinc/72/03/28/1041720328.db2.gz LXJCHPGPCVLUCV-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cn2c(cccc2Br)n1)C1CC[NH2+]CC1 ZINC001236457320 1041720333 /nfs/dbraw/zinc/72/03/33/1041720333.db2.gz LXJCHPGPCVLUCV-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CCOc1cc(C[N@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)ccc1C ZINC001236465774 1041728016 /nfs/dbraw/zinc/72/80/16/1041728016.db2.gz AQOPGCTUHLSKDG-UHFFFAOYSA-N 2 1 396.531 3.935 20 0 GHADMP CCOc1cc(C[N@@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)ccc1C ZINC001236465774 1041728020 /nfs/dbraw/zinc/72/80/20/1041728020.db2.gz AQOPGCTUHLSKDG-UHFFFAOYSA-N 2 1 396.531 3.935 20 0 GHADMP Cc1cc(OC2CC[NH2+]CC2)nc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001236472320 1041731041 /nfs/dbraw/zinc/73/10/41/1041731041.db2.gz ZVFORXSNWBPMEK-RTWAWAEBSA-N 2 1 390.531 3.736 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN(Cc3cccnc3)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236479507 1041733918 /nfs/dbraw/zinc/73/39/18/1041733918.db2.gz WBQNIWTUCAKOQY-ZEQRLZLVSA-N 2 1 378.564 3.548 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC001236518364 1041751648 /nfs/dbraw/zinc/75/16/48/1041751648.db2.gz RSYUSIVIVMQDAQ-UHFFFAOYSA-N 2 1 393.547 3.993 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc(OC)ccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542241 1041756496 /nfs/dbraw/zinc/75/64/96/1041756496.db2.gz BFLOKBOHDXISEY-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP CC(C)C[N@@H+](Cc1c(Cl)c2ccccc2n(C)c1=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552983 1041759782 /nfs/dbraw/zinc/75/97/82/1041759782.db2.gz UYEYVDUWKNENJD-WKILWMFISA-N 2 1 375.944 3.920 20 0 GHADMP COC(=O)c1ccc(Br)c(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236554747 1041760392 /nfs/dbraw/zinc/76/03/92/1041760392.db2.gz UAYPKOYBCJCQSD-QAQDUYKDSA-N 2 1 397.357 3.964 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1cccc(-n2cncn2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236562655 1041764267 /nfs/dbraw/zinc/76/42/67/1041764267.db2.gz VJRZJIWGYRTJFZ-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(CN3CCOCC3)c2)C2CCCCC2)CC1 ZINC001236568352 1041764948 /nfs/dbraw/zinc/76/49/48/1041764948.db2.gz WTXGWGWHTKEADM-HCGLCNNCSA-N 2 1 385.596 3.923 20 0 GHADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001236623368 1041788608 /nfs/dbraw/zinc/78/86/08/1041788608.db2.gz SOGCBVDTACMLHS-QHCPKHFHSA-N 2 1 379.548 3.571 20 0 GHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001236622462 1041789011 /nfs/dbraw/zinc/78/90/11/1041789011.db2.gz OGKZNLZDGYWDCZ-GOSISDBHSA-N 2 1 380.374 3.570 20 0 GHADMP CC(C)c1cc(Br)ccc1CN1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001236622462 1041789012 /nfs/dbraw/zinc/78/90/12/1041789012.db2.gz OGKZNLZDGYWDCZ-GOSISDBHSA-N 2 1 380.374 3.570 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cc(C)c1OCc1ccccc1 ZINC001236624337 1041789585 /nfs/dbraw/zinc/78/95/85/1041789585.db2.gz YVRXAQWFWOZNKC-DEOSSOPVSA-N 2 1 393.575 3.880 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1 ZINC001236701421 1041841133 /nfs/dbraw/zinc/84/11/33/1041841133.db2.gz SOUCORXKHHYANZ-MXVIHJGJSA-N 2 1 384.520 3.985 20 0 GHADMP CC[C@H](CCC(=O)OC)C[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700622 1041841327 /nfs/dbraw/zinc/84/13/27/1041841327.db2.gz MVVVDPRGESXLPO-MISYRCLQSA-N 2 1 376.541 3.747 20 0 GHADMP COc1ccc2c(c1)n[nH]c2C[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711475 1041847989 /nfs/dbraw/zinc/84/79/89/1041847989.db2.gz QEZXEDCUZVKMFF-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711475 1041847997 /nfs/dbraw/zinc/84/79/97/1041847997.db2.gz QEZXEDCUZVKMFF-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711475 1041848002 /nfs/dbraw/zinc/84/80/02/1041848002.db2.gz QEZXEDCUZVKMFF-IYARVYRRSA-N 2 1 394.519 3.852 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cc(C)c(OC)nc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714973 1041851072 /nfs/dbraw/zinc/85/10/72/1041851072.db2.gz RCOCNPKHWDKUDA-MXVIHJGJSA-N 2 1 399.535 3.688 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2cnc3ccc(Cl)nn23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723278 1041857552 /nfs/dbraw/zinc/85/75/52/1041857552.db2.gz RWKYPQBZUDEUND-IYARVYRRSA-N 2 1 383.927 3.963 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236728840 1041860549 /nfs/dbraw/zinc/86/05/49/1041860549.db2.gz KVYWKVSZVFFOHT-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP c1cc2cccc(C[NH+]3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2o1 ZINC001236733159 1041864329 /nfs/dbraw/zinc/86/43/29/1041864329.db2.gz SAWGLZSZBMTGEC-UHFFFAOYSA-N 2 1 391.515 3.942 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001236853658 1041929191 /nfs/dbraw/zinc/92/91/91/1041929191.db2.gz NEOGFEQOXTUNKK-TZIWHRDSSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001236853658 1041929193 /nfs/dbraw/zinc/92/91/93/1041929193.db2.gz NEOGFEQOXTUNKK-TZIWHRDSSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1Cl ZINC001236853658 1041929198 /nfs/dbraw/zinc/92/91/98/1041929198.db2.gz NEOGFEQOXTUNKK-TZIWHRDSSA-N 2 1 385.939 3.766 20 0 GHADMP c1ncn(-c2cccc(CN3CCC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2)n1 ZINC001236891224 1041941814 /nfs/dbraw/zinc/94/18/14/1041941814.db2.gz YPWRQKFHSCWHDM-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2cccc(C[NH+]3CCC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2)n1 ZINC001236891224 1041941819 /nfs/dbraw/zinc/94/18/19/1041941819.db2.gz YPWRQKFHSCWHDM-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2cccc(C[N@@H+]3CCC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)c2)n1 ZINC001236891224 1041941828 /nfs/dbraw/zinc/94/18/28/1041941828.db2.gz YPWRQKFHSCWHDM-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP CCOc1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c(Br)cn1 ZINC001236961801 1041970524 /nfs/dbraw/zinc/97/05/24/1041970524.db2.gz HHJYUYXOPBREMS-UHFFFAOYSA-N 2 1 396.373 3.845 20 0 GHADMP COc1cccc2c(CN3CCC[C@]4(C3)COCC[N@H+](C(C)C)C4)ccnc12 ZINC001237105895 1042039404 /nfs/dbraw/zinc/03/94/04/1042039404.db2.gz MBEMXXADLBBYTA-HSZRJFAPSA-N 2 1 383.536 3.566 20 0 GHADMP COc1cccc2c(C[N@@H+]3CCC[C@]4(C3)COCC[NH+](C(C)C)C4)ccnc12 ZINC001237105895 1042039418 /nfs/dbraw/zinc/03/94/18/1042039418.db2.gz MBEMXXADLBBYTA-HSZRJFAPSA-N 2 1 383.536 3.566 20 0 GHADMP COc1cccc2c(C[N@H+]3CCC[C@]4(C3)COCC[NH+](C(C)C)C4)ccnc12 ZINC001237105895 1042039422 /nfs/dbraw/zinc/03/94/22/1042039422.db2.gz MBEMXXADLBBYTA-HSZRJFAPSA-N 2 1 383.536 3.566 20 0 GHADMP COc1cccc2c(C[NH+]3CCC[C@]4(C3)COCC[N@@H+](C(C)C)C4)ccnc12 ZINC001237105895 1042039426 /nfs/dbraw/zinc/03/94/26/1042039426.db2.gz MBEMXXADLBBYTA-HSZRJFAPSA-N 2 1 383.536 3.566 20 0 GHADMP COc1cccc2c(C[NH+]3CCC[C@]4(C3)COCC[N@H+](C(C)C)C4)ccnc12 ZINC001237105895 1042039427 /nfs/dbraw/zinc/03/94/27/1042039427.db2.gz MBEMXXADLBBYTA-HSZRJFAPSA-N 2 1 383.536 3.566 20 0 GHADMP c1c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263297 1042112534 /nfs/dbraw/zinc/11/25/34/1042112534.db2.gz BZMMKSKLZDMMPJ-VQTJNVASSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263297 1042112536 /nfs/dbraw/zinc/11/25/36/1042112536.db2.gz BZMMKSKLZDMMPJ-VQTJNVASSA-N 3 1 381.589 3.738 20 0 GHADMP c1c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001237263297 1042112542 /nfs/dbraw/zinc/11/25/42/1042112542.db2.gz BZMMKSKLZDMMPJ-VQTJNVASSA-N 3 1 381.589 3.738 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)ccc1-2 ZINC001237281625 1042122456 /nfs/dbraw/zinc/12/24/56/1042122456.db2.gz FSGKZZWYWJWSEV-MJGOQNOKSA-N 2 1 384.520 3.857 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)ccc1-2 ZINC001237281625 1042122459 /nfs/dbraw/zinc/12/24/59/1042122459.db2.gz FSGKZZWYWJWSEV-MJGOQNOKSA-N 2 1 384.520 3.857 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)ccc1-2 ZINC001237281625 1042122468 /nfs/dbraw/zinc/12/24/68/1042122468.db2.gz FSGKZZWYWJWSEV-MJGOQNOKSA-N 2 1 384.520 3.857 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1c(Br)cccc1Br)CC2 ZINC001237356301 1042166225 /nfs/dbraw/zinc/16/62/25/1042166225.db2.gz IACLEKWKRLIPIN-AWEZNQCLSA-N 2 1 388.147 3.915 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc(Cl)c(F)c1)CC2 ZINC001237399407 1042191396 /nfs/dbraw/zinc/19/13/96/1042191396.db2.gz AYWYBUQCALJHFR-INIZCTEOSA-N 2 1 393.890 3.723 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001237410903 1042196438 /nfs/dbraw/zinc/19/64/38/1042196438.db2.gz QDZFLUDADKFSIC-KWOQKUFVSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001237410903 1042196439 /nfs/dbraw/zinc/19/64/39/1042196439.db2.gz QDZFLUDADKFSIC-KWOQKUFVSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001237410903 1042196443 /nfs/dbraw/zinc/19/64/43/1042196443.db2.gz QDZFLUDADKFSIC-KWOQKUFVSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001237410903 1042196447 /nfs/dbraw/zinc/19/64/47/1042196447.db2.gz QDZFLUDADKFSIC-KWOQKUFVSA-N 2 1 392.547 3.773 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c3cccnc13)C2 ZINC001237425487 1042202278 /nfs/dbraw/zinc/20/22/78/1042202278.db2.gz MOJAYGINHJCQMP-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(F)c3cccnc13)C2 ZINC001237425487 1042202280 /nfs/dbraw/zinc/20/22/80/1042202280.db2.gz MOJAYGINHJCQMP-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(F)c3cccnc13)C2 ZINC001237425487 1042202282 /nfs/dbraw/zinc/20/22/82/1042202282.db2.gz MOJAYGINHJCQMP-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(F)c3cccnc13)C2 ZINC001237425487 1042202284 /nfs/dbraw/zinc/20/22/84/1042202284.db2.gz MOJAYGINHJCQMP-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC001237440848 1042208457 /nfs/dbraw/zinc/20/84/57/1042208457.db2.gz KQOOHGVNVFTZKY-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccn4nccc4c2)CC3)c1 ZINC001237541156 1042256715 /nfs/dbraw/zinc/25/67/15/1042256715.db2.gz PGUOCZJSWBBCKT-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@@]4(CCN(CC5CC5)C4=O)C3)cc21 ZINC001237875772 1042404871 /nfs/dbraw/zinc/40/48/71/1042404871.db2.gz CXXSIOWNCREKJQ-RUZDIDTESA-N 2 1 393.575 3.912 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(COc3ccccc3)cc1)CC2 ZINC001237921917 1042423671 /nfs/dbraw/zinc/42/36/71/1042423671.db2.gz RWCWNWVEZLAGNE-UHFFFAOYSA-N 2 1 379.504 3.896 20 0 GHADMP COc1c(C)cnc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1C ZINC001238173567 1042508708 /nfs/dbraw/zinc/50/87/08/1042508708.db2.gz SEHUAAYBQDBRAD-IBGZPJMESA-N 2 1 399.535 3.556 20 0 GHADMP CCOc1ccc(Br)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001238282430 1042540520 /nfs/dbraw/zinc/54/05/20/1042540520.db2.gz APQMFVAYGNBTJL-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP CCOc1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1F ZINC001238282430 1042540521 /nfs/dbraw/zinc/54/05/21/1042540521.db2.gz APQMFVAYGNBTJL-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001238531597 1042631177 /nfs/dbraw/zinc/63/11/77/1042631177.db2.gz BGQRHTKNURMTTC-UHFFFAOYSA-N 2 1 398.982 3.924 20 0 GHADMP Fc1cc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238700775 1042691628 /nfs/dbraw/zinc/69/16/28/1042691628.db2.gz IRPGOCVTOFENDN-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP Fc1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238700775 1042691632 /nfs/dbraw/zinc/69/16/32/1042691632.db2.gz IRPGOCVTOFENDN-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP Fc1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238700775 1042691636 /nfs/dbraw/zinc/69/16/36/1042691636.db2.gz IRPGOCVTOFENDN-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP Fc1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238700775 1042691639 /nfs/dbraw/zinc/69/16/39/1042691639.db2.gz IRPGOCVTOFENDN-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP Fc1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001238700775 1042691644 /nfs/dbraw/zinc/69/16/44/1042691644.db2.gz IRPGOCVTOFENDN-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP CCCCCCOC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001239316310 1042808191 /nfs/dbraw/zinc/80/81/91/1042808191.db2.gz APIJIZXMHXTDLF-NRFANRHFSA-N 2 1 387.568 3.795 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(Cl)c3F)(C1)CCC2 ZINC001278307266 1042880637 /nfs/dbraw/zinc/88/06/37/1042880637.db2.gz AIHWSMMNWKQEEN-MOPGFXCFSA-N 2 1 388.886 3.763 20 0 GHADMP [NH3+]C1CCN(C(=O)c2cccc(C3=CCC[N@@H+](Cc4ccccc4)C3)c2)CC1 ZINC001240388601 1042925207 /nfs/dbraw/zinc/92/52/07/1042925207.db2.gz HNXHPHCSRUUJOR-UHFFFAOYSA-N 2 1 375.516 3.539 20 0 GHADMP COc1ccc(-c2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)cc1C[NH+](C)C ZINC001240588050 1042943477 /nfs/dbraw/zinc/94/34/77/1042943477.db2.gz HAWGCKBWBRDXMC-UHFFFAOYSA-N 2 1 379.548 3.660 20 0 GHADMP Cc1cc(N2CCCCC2)[nH+]cc1-c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240814809 1042955748 /nfs/dbraw/zinc/95/57/48/1042955748.db2.gz BKDKDDMQZUVCQZ-UHFFFAOYSA-N 2 1 376.504 3.621 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256520720 1043445304 /nfs/dbraw/zinc/44/53/04/1043445304.db2.gz UEECGPUZWJNDAJ-QUCCMNQESA-N 2 1 375.557 3.934 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256520720 1043445306 /nfs/dbraw/zinc/44/53/06/1043445306.db2.gz UEECGPUZWJNDAJ-QUCCMNQESA-N 2 1 375.557 3.934 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(O)cc1 ZINC001256528568 1043457981 /nfs/dbraw/zinc/45/79/81/1043457981.db2.gz HNGJZPFDSJOTAW-WEYGHZABSA-N 2 1 382.504 3.639 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(O)cc1 ZINC001256528568 1043457989 /nfs/dbraw/zinc/45/79/89/1043457989.db2.gz HNGJZPFDSJOTAW-WEYGHZABSA-N 2 1 382.504 3.639 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(O)cc1 ZINC001256528570 1043458969 /nfs/dbraw/zinc/45/89/69/1043458969.db2.gz HNGJZPFDSJOTAW-ZNLUXHQJSA-N 2 1 382.504 3.639 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(O)cc1 ZINC001256528570 1043458975 /nfs/dbraw/zinc/45/89/75/1043458975.db2.gz HNGJZPFDSJOTAW-ZNLUXHQJSA-N 2 1 382.504 3.639 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530609 1043461318 /nfs/dbraw/zinc/46/13/18/1043461318.db2.gz CUFCCOLOUDPOCJ-URXFXBBRSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530609 1043461326 /nfs/dbraw/zinc/46/13/26/1043461326.db2.gz CUFCCOLOUDPOCJ-URXFXBBRSA-N 3 1 392.591 3.936 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC001256534876 1043472901 /nfs/dbraw/zinc/47/29/01/1043472901.db2.gz ADAMUANNFGCERF-KNQAVFIVSA-N 2 1 398.547 3.863 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC001256534876 1043472904 /nfs/dbraw/zinc/47/29/04/1043472904.db2.gz ADAMUANNFGCERF-KNQAVFIVSA-N 2 1 398.547 3.863 20 0 GHADMP C[C@@H]1C[C@H](N2CC3(C2)CC[NH+](Cc2cccnc2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256539673 1043486939 /nfs/dbraw/zinc/48/69/39/1043486939.db2.gz DIQUNKQJDSFUEG-ZJSXRUAMSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@@H]1C[C@H](N2CC3(C2)CC[N@H+](Cc2cccnc2)C3)CC[NH+]1Cc1ccccc1 ZINC001256539673 1043486958 /nfs/dbraw/zinc/48/69/58/1043486958.db2.gz DIQUNKQJDSFUEG-ZJSXRUAMSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@@H]1C[C@H](N2CC3(C2)CC[N@@H+](Cc2cccnc2)C3)CC[NH+]1Cc1ccccc1 ZINC001256539673 1043486978 /nfs/dbraw/zinc/48/69/78/1043486978.db2.gz DIQUNKQJDSFUEG-ZJSXRUAMSA-N 2 1 390.575 3.642 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ncccc3F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256538616 1043488446 /nfs/dbraw/zinc/48/84/46/1043488446.db2.gz UMKVREJPFBZFNO-CTNGQTDRSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256540440 1043489795 /nfs/dbraw/zinc/48/97/95/1043489795.db2.gz HQLPXZJFQWUJFN-NRDMVMEKSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256540440 1043489807 /nfs/dbraw/zinc/48/98/07/1043489807.db2.gz HQLPXZJFQWUJFN-NRDMVMEKSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256540440 1043489825 /nfs/dbraw/zinc/48/98/25/1043489825.db2.gz HQLPXZJFQWUJFN-NRDMVMEKSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC001256540440 1043489832 /nfs/dbraw/zinc/48/98/32/1043489832.db2.gz HQLPXZJFQWUJFN-NRDMVMEKSA-N 2 1 385.552 3.733 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548541 1043510087 /nfs/dbraw/zinc/51/00/87/1043510087.db2.gz YRFZZARYBMAKRS-OHCFRWENSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256548541 1043510099 /nfs/dbraw/zinc/51/00/99/1043510099.db2.gz YRFZZARYBMAKRS-OHCFRWENSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548541 1043510105 /nfs/dbraw/zinc/51/01/05/1043510105.db2.gz YRFZZARYBMAKRS-OHCFRWENSA-N 2 1 389.543 3.634 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548541 1043510116 /nfs/dbraw/zinc/51/01/16/1043510116.db2.gz YRFZZARYBMAKRS-OHCFRWENSA-N 2 1 389.543 3.634 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256550679 1043513640 /nfs/dbraw/zinc/51/36/40/1043513640.db2.gz NFFBLPLTXBOOMA-BGWNEDDSSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256550679 1043513651 /nfs/dbraw/zinc/51/36/51/1043513651.db2.gz NFFBLPLTXBOOMA-BGWNEDDSSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256550679 1043513663 /nfs/dbraw/zinc/51/36/63/1043513663.db2.gz NFFBLPLTXBOOMA-BGWNEDDSSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256550679 1043513676 /nfs/dbraw/zinc/51/36/76/1043513676.db2.gz NFFBLPLTXBOOMA-BGWNEDDSSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H](n2ncc3cc(N4CC[NH2+]CC4)ccc32)CC[N@H+]1Cc1ccccc1 ZINC001256552812 1043518841 /nfs/dbraw/zinc/51/88/41/1043518841.db2.gz DTLUILGJMHJXNA-XXBNENTESA-N 2 1 389.547 3.672 20 0 GHADMP COc1ccc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC001256552780 1043519413 /nfs/dbraw/zinc/51/94/13/1043519413.db2.gz DASSOJTWOXNKJQ-DENIHFKCSA-N 2 1 394.563 3.702 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001256553596 1043520743 /nfs/dbraw/zinc/52/07/43/1043520743.db2.gz GXENHFMSGVQIPS-PZJWPPBQSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)nc1 ZINC001256553596 1043520751 /nfs/dbraw/zinc/52/07/51/1043520751.db2.gz GXENHFMSGVQIPS-PZJWPPBQSA-N 2 1 395.547 3.987 20 0 GHADMP C[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001256555431 1043524419 /nfs/dbraw/zinc/52/44/19/1043524419.db2.gz UYPGUKYREQWDEF-PQVVKJAFSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001256555431 1043524423 /nfs/dbraw/zinc/52/44/23/1043524423.db2.gz UYPGUKYREQWDEF-PQVVKJAFSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555431 1043524430 /nfs/dbraw/zinc/52/44/30/1043524430.db2.gz UYPGUKYREQWDEF-PQVVKJAFSA-N 2 1 375.560 3.998 20 0 GHADMP C[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001256555431 1043524431 /nfs/dbraw/zinc/52/44/31/1043524431.db2.gz UYPGUKYREQWDEF-PQVVKJAFSA-N 2 1 375.560 3.998 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256559219 1043532881 /nfs/dbraw/zinc/53/28/81/1043532881.db2.gz ZIOYFURVEWKBME-KNQAVFIVSA-N 3 1 394.563 3.702 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256559219 1043532887 /nfs/dbraw/zinc/53/28/87/1043532887.db2.gz ZIOYFURVEWKBME-KNQAVFIVSA-N 2 1 394.563 3.702 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001256559219 1043532893 /nfs/dbraw/zinc/53/28/93/1043532893.db2.gz ZIOYFURVEWKBME-KNQAVFIVSA-N 2 1 394.563 3.702 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559527 1043534829 /nfs/dbraw/zinc/53/48/29/1043534829.db2.gz LSFIVWQIQPXMEW-AYWYSENESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256559527 1043534835 /nfs/dbraw/zinc/53/48/35/1043534835.db2.gz LSFIVWQIQPXMEW-AYWYSENESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559527 1043534842 /nfs/dbraw/zinc/53/48/42/1043534842.db2.gz LSFIVWQIQPXMEW-AYWYSENESA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559527 1043534849 /nfs/dbraw/zinc/53/48/49/1043534849.db2.gz LSFIVWQIQPXMEW-AYWYSENESA-N 2 1 385.552 3.591 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]12 ZINC001256570504 1043542776 /nfs/dbraw/zinc/54/27/76/1043542776.db2.gz LXEWARKGFDHJEM-ISKFKSNPSA-N 2 1 383.580 3.514 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]12 ZINC001256570504 1043542790 /nfs/dbraw/zinc/54/27/90/1043542790.db2.gz LXEWARKGFDHJEM-ISKFKSNPSA-N 2 1 383.580 3.514 20 0 GHADMP COCCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C(C)(C)C)CC1 ZINC001256577901 1043549196 /nfs/dbraw/zinc/54/91/96/1043549196.db2.gz XTWFIHKBKUTKMZ-IBGZPJMESA-N 2 1 397.604 3.597 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C4CCN(Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592571 1043559245 /nfs/dbraw/zinc/55/92/45/1043559245.db2.gz GTVUKIZNDMIIHM-VWLOTQADSA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C4CCN(Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592571 1043559256 /nfs/dbraw/zinc/55/92/56/1043559256.db2.gz GTVUKIZNDMIIHM-VWLOTQADSA-N 2 1 390.575 3.644 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C4CCN(Cc5ccncc5)CC4)C3)C2)cc1 ZINC001256592571 1043559259 /nfs/dbraw/zinc/55/92/59/1043559259.db2.gz GTVUKIZNDMIIHM-VWLOTQADSA-N 2 1 390.575 3.644 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C=C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@H]2C1 ZINC001256605206 1043569210 /nfs/dbraw/zinc/56/92/10/1043569210.db2.gz XXRSKQSBJXSGQR-ILWGZMRPSA-N 2 1 397.563 3.662 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001256609982 1043574006 /nfs/dbraw/zinc/57/40/06/1043574006.db2.gz WFKODKVHSSPEPS-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001256609982 1043574015 /nfs/dbraw/zinc/57/40/15/1043574015.db2.gz WFKODKVHSSPEPS-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001256612362 1043575920 /nfs/dbraw/zinc/57/59/20/1043575920.db2.gz JAEFLFZVKAOYAO-GOTSBHOMSA-N 2 1 378.516 3.540 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001256612362 1043575927 /nfs/dbraw/zinc/57/59/27/1043575927.db2.gz JAEFLFZVKAOYAO-GOTSBHOMSA-N 2 1 378.516 3.540 20 0 GHADMP CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)C1CCN(Cc2ccccc2)CC1 ZINC001256613676 1043577276 /nfs/dbraw/zinc/57/72/76/1043577276.db2.gz SDNVDCCCUAGBAY-QFIPXVFZSA-N 2 1 390.568 3.721 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)c1ccccc1F ZINC001256613119 1043577410 /nfs/dbraw/zinc/57/74/10/1043577410.db2.gz WRYKRZJMHUTWBG-HXUWFJFHSA-N 2 1 395.522 3.685 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1)c1ccccc1F ZINC001256613119 1043577414 /nfs/dbraw/zinc/57/74/14/1043577414.db2.gz WRYKRZJMHUTWBG-HXUWFJFHSA-N 2 1 395.522 3.685 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4c(cccc4OC)C3)CC2)cc1 ZINC001256640366 1043588274 /nfs/dbraw/zinc/58/82/74/1043588274.db2.gz YBZKEAQLZMAZBT-QFIPXVFZSA-N 2 1 394.559 3.858 20 0 GHADMP Cc1ccccc1C[N@H+](C1CCC([NH+]2CCOCC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256687551 1043623656 /nfs/dbraw/zinc/62/36/56/1043623656.db2.gz YIJBYORBAWWOPW-SAXTUKQPSA-N 3 1 385.596 3.710 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C4CCC([NH+]5CCOCC5)CC4)C3)CC2)cc1 ZINC001256694685 1043627670 /nfs/dbraw/zinc/62/76/70/1043627670.db2.gz CXBNRWVXUJFYBL-UHFFFAOYSA-N 3 1 397.607 3.618 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](C4CCC(N5CCOCC5)CC4)C3)CC2)cc1 ZINC001256694685 1043627675 /nfs/dbraw/zinc/62/76/75/1043627675.db2.gz CXBNRWVXUJFYBL-UHFFFAOYSA-N 2 1 397.607 3.618 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C4CCC(N5CCOCC5)CC4)C3)CC2)cc1 ZINC001256694685 1043627681 /nfs/dbraw/zinc/62/76/81/1043627681.db2.gz CXBNRWVXUJFYBL-UHFFFAOYSA-N 2 1 397.607 3.618 20 0 GHADMP Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860615 1043707213 /nfs/dbraw/zinc/70/72/13/1043707213.db2.gz BBLSBXMUTAXEMD-CBQGHPETSA-N 2 1 394.567 3.942 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256900368 1043729040 /nfs/dbraw/zinc/72/90/40/1043729040.db2.gz MWRLIEFNEPDCSC-LMMKCTJWSA-N 2 1 383.552 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256900368 1043729052 /nfs/dbraw/zinc/72/90/52/1043729052.db2.gz MWRLIEFNEPDCSC-LMMKCTJWSA-N 2 1 383.552 3.578 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256905332 1043733882 /nfs/dbraw/zinc/73/38/82/1043733882.db2.gz OMOFFARKYNHYAN-KCZVDYSFSA-N 2 1 381.564 3.950 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256905332 1043733886 /nfs/dbraw/zinc/73/38/86/1043733886.db2.gz OMOFFARKYNHYAN-KCZVDYSFSA-N 2 1 381.564 3.950 20 0 GHADMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC001292465012 1043748436 /nfs/dbraw/zinc/74/84/36/1043748436.db2.gz SWIPIDALFPUFOK-SFHVURJKSA-N 2 1 399.966 3.677 20 0 GHADMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC001292465012 1043748451 /nfs/dbraw/zinc/74/84/51/1043748451.db2.gz SWIPIDALFPUFOK-SFHVURJKSA-N 2 1 399.966 3.677 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)cc1 ZINC001257153177 1043901648 /nfs/dbraw/zinc/90/16/48/1043901648.db2.gz JLIMLQQBBULMBI-KRWDZBQOSA-N 2 1 384.495 3.883 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC([N@H+](C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206888 1043936555 /nfs/dbraw/zinc/93/65/55/1043936555.db2.gz XFBLGFFYLXWDMJ-UXHICEINSA-N 2 1 379.589 3.969 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC([N@@H+](C)C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001257206888 1043936558 /nfs/dbraw/zinc/93/65/58/1043936558.db2.gz XFBLGFFYLXWDMJ-UXHICEINSA-N 2 1 379.589 3.969 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813940 1044194676 /nfs/dbraw/zinc/19/46/76/1044194676.db2.gz CNQMEGUKTGFYNA-QIJUGHKUSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813940 1044194688 /nfs/dbraw/zinc/19/46/88/1044194688.db2.gz CNQMEGUKTGFYNA-QIJUGHKUSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813940 1044194700 /nfs/dbraw/zinc/19/47/00/1044194700.db2.gz CNQMEGUKTGFYNA-QIJUGHKUSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)CC1 ZINC001257815240 1044196370 /nfs/dbraw/zinc/19/63/70/1044196370.db2.gz KXQZVGITPDEGID-AUSIDOKSSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC001293678022 1044290839 /nfs/dbraw/zinc/29/08/39/1044290839.db2.gz QUCYNCUAPJZKAH-RXVVDRJESA-N 2 1 383.536 3.648 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC001293678022 1044290851 /nfs/dbraw/zinc/29/08/51/1044290851.db2.gz QUCYNCUAPJZKAH-RXVVDRJESA-N 2 1 383.536 3.648 20 0 GHADMP C[NH+](C)CCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257991775 1044320145 /nfs/dbraw/zinc/32/01/45/1044320145.db2.gz XWUORZUXRNFTLY-SFTDATJTSA-N 2 1 389.584 3.881 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCCN3C(=O)OC(C)(C)C)CC1 ZINC001258013267 1044338485 /nfs/dbraw/zinc/33/84/85/1044338485.db2.gz NLWKGFVFHSBWSW-QFIPXVFZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258065739 1044377756 /nfs/dbraw/zinc/37/77/56/1044377756.db2.gz OARLSVURTQPYDR-UGESXGAOSA-N 2 1 377.617 3.854 20 0 GHADMP CC(C)(C)OC(=O)NCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC001258138037 1044423634 /nfs/dbraw/zinc/42/36/34/1044423634.db2.gz PYXYPQDGWFKDMY-UHFFFAOYSA-N 2 1 387.568 3.731 20 0 GHADMP COc1ccc(CC[N@H+](C)C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC001258140936 1044427267 /nfs/dbraw/zinc/42/72/67/1044427267.db2.gz OYHBUNAKELVXLK-UHFFFAOYSA-N 2 1 382.548 3.885 20 0 GHADMP COc1ccc(CC[N@@H+](C)C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC001258140936 1044427275 /nfs/dbraw/zinc/42/72/75/1044427275.db2.gz OYHBUNAKELVXLK-UHFFFAOYSA-N 2 1 382.548 3.885 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)C1 ZINC001258145085 1044433449 /nfs/dbraw/zinc/43/34/49/1044433449.db2.gz YIFWQBCXMPJSNG-RUZDIDTESA-N 2 1 399.623 3.516 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146474 1044434433 /nfs/dbraw/zinc/43/44/33/1044434433.db2.gz YXQAMXUAGGQZBA-OAQYLSRUSA-N 2 1 387.568 3.635 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146474 1044434443 /nfs/dbraw/zinc/43/44/43/1044434443.db2.gz YXQAMXUAGGQZBA-OAQYLSRUSA-N 2 1 387.568 3.635 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC001258149129 1044439779 /nfs/dbraw/zinc/43/97/79/1044439779.db2.gz ZDIRPBLZBAQOPD-AZGAKELHSA-N 2 1 389.587 3.900 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CC2)cc1 ZINC001258149129 1044439785 /nfs/dbraw/zinc/43/97/85/1044439785.db2.gz ZDIRPBLZBAQOPD-AZGAKELHSA-N 2 1 389.587 3.900 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)CCSC)CC2 ZINC001258217525 1044475684 /nfs/dbraw/zinc/47/56/84/1044475684.db2.gz ORKXUQJJMSFCOG-SJORKVTESA-N 2 1 383.627 3.588 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258343329 1044519351 /nfs/dbraw/zinc/51/93/51/1044519351.db2.gz XHGZEWDUTZKNGM-MISYRCLQSA-N 2 1 377.598 3.525 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C2CCN(c4ccccc4)CC2)CC3)cn1 ZINC001258515906 1044593013 /nfs/dbraw/zinc/59/30/13/1044593013.db2.gz LFLSKLOSXBIOEM-UHFFFAOYSA-N 2 1 393.579 3.520 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+](C2CCN(c4ccccc4)CC2)CC3)cn1 ZINC001258515906 1044593025 /nfs/dbraw/zinc/59/30/25/1044593025.db2.gz LFLSKLOSXBIOEM-UHFFFAOYSA-N 2 1 393.579 3.520 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746401 1044740416 /nfs/dbraw/zinc/74/04/16/1044740416.db2.gz HSGZGRXGTIBBTR-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746401 1044740432 /nfs/dbraw/zinc/74/04/32/1044740432.db2.gz HSGZGRXGTIBBTR-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746401 1044740450 /nfs/dbraw/zinc/74/04/50/1044740450.db2.gz HSGZGRXGTIBBTR-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746401 1044740474 /nfs/dbraw/zinc/74/04/74/1044740474.db2.gz HSGZGRXGTIBBTR-RBDMOPTHSA-N 2 1 376.972 3.951 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001258772258 1044756344 /nfs/dbraw/zinc/75/63/44/1044756344.db2.gz LKKXFSBAOOSVAY-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP CCn1ncc2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@H]2COCC1CC1 ZINC001258910101 1044864369 /nfs/dbraw/zinc/86/43/69/1044864369.db2.gz NRHUROFUFPQTMR-QUCCMNQESA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@H]1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2ncn(CC3CC3)c21 ZINC001258911071 1044865276 /nfs/dbraw/zinc/86/52/76/1044865276.db2.gz ZRSFZSFFKAKKAY-AZUAARDMSA-N 2 1 376.589 3.739 20 0 GHADMP CCOC[C@H]1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)Cc2ncn(CC3CC3)c21 ZINC001258911071 1044865298 /nfs/dbraw/zinc/86/52/98/1044865298.db2.gz ZRSFZSFFKAKKAY-AZUAARDMSA-N 2 1 376.589 3.739 20 0 GHADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC001295977075 1045204170 /nfs/dbraw/zinc/20/41/70/1045204170.db2.gz GXJCFABDFGJYEY-AABGKKOBSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001295977075 1045204179 /nfs/dbraw/zinc/20/41/79/1045204179.db2.gz GXJCFABDFGJYEY-AABGKKOBSA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+]1C[C@H](C)N(c2nnc(C(C)C)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC001295977075 1045204184 /nfs/dbraw/zinc/20/41/84/1045204184.db2.gz GXJCFABDFGJYEY-AABGKKOBSA-N 2 1 390.620 3.585 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@@H](n2cncn2)C1 ZINC001261240218 1045935859 /nfs/dbraw/zinc/93/58/59/1045935859.db2.gz PTTYJFBFFXVZLW-LGKPFJOYSA-N 2 1 381.568 3.900 20 0 GHADMP O[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001261438262 1045998655 /nfs/dbraw/zinc/99/86/55/1045998655.db2.gz YONCUKOSRCWGBO-AAZCMCCISA-N 2 1 394.559 3.739 20 0 GHADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001301380663 1046517324 /nfs/dbraw/zinc/51/73/24/1046517324.db2.gz ZZTKVJNKEWHMDM-PKTZIBPZSA-N 2 1 397.538 3.627 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001301380663 1046517336 /nfs/dbraw/zinc/51/73/36/1046517336.db2.gz ZZTKVJNKEWHMDM-PKTZIBPZSA-N 2 1 397.538 3.627 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CC[C@H]2C[NH+](Cc3cnc(Cl)nc3)C[C@H]2CC1 ZINC001279178648 1047737881 /nfs/dbraw/zinc/73/78/81/1047737881.db2.gz OAEGHCTUEVGDTD-GASCZTMLSA-N 2 1 376.854 3.616 20 0 GHADMP FC(F)(F)CCC[NH+]1CC[C@H]2C[N@@H+](Cc3cnc(Cl)nc3)C[C@H]2CC1 ZINC001279178648 1047737885 /nfs/dbraw/zinc/73/78/85/1047737885.db2.gz OAEGHCTUEVGDTD-GASCZTMLSA-N 2 1 376.854 3.616 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](CC3C[C@@H](C)O[C@H](C)C3)C[C@H]2CC1 ZINC001279263537 1047751925 /nfs/dbraw/zinc/75/19/25/1047751925.db2.gz SBDJBYPSDAENOL-SMOSDQRPSA-N 2 1 377.598 3.799 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](CC3C[C@@H](C)O[C@H](C)C3)C[C@H]2CC1 ZINC001279263537 1047751930 /nfs/dbraw/zinc/75/19/30/1047751930.db2.gz SBDJBYPSDAENOL-SMOSDQRPSA-N 2 1 377.598 3.799 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](CC3C[C@@H](C)O[C@H](C)C3)C[C@H]2CC1 ZINC001279263537 1047751932 /nfs/dbraw/zinc/75/19/32/1047751932.db2.gz SBDJBYPSDAENOL-SMOSDQRPSA-N 2 1 377.598 3.799 20 0 GHADMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1Br ZINC001279362766 1047780752 /nfs/dbraw/zinc/78/07/52/1047780752.db2.gz MKBAKUPLBVZMQM-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001279449131 1047813741 /nfs/dbraw/zinc/81/37/41/1047813741.db2.gz QNHQSDIQIGXOHB-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC001279449131 1047813750 /nfs/dbraw/zinc/81/37/50/1047813750.db2.gz QNHQSDIQIGXOHB-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)cn3)C[C@H]2CC1 ZINC001279631471 1047877775 /nfs/dbraw/zinc/87/77/75/1047877775.db2.gz MPCQZEXKQMVXEN-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cn3)C[C@H]2CC1 ZINC001279631471 1047877787 /nfs/dbraw/zinc/87/77/87/1047877787.db2.gz MPCQZEXKQMVXEN-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cn3)C[C@H]2CC1 ZINC001279631471 1047877793 /nfs/dbraw/zinc/87/77/93/1047877793.db2.gz MPCQZEXKQMVXEN-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1c(Br)cccc1C[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279638521 1047882559 /nfs/dbraw/zinc/88/25/59/1047882559.db2.gz GWBMYFICSQGYED-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1c(Br)cccc1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001279638521 1047882574 /nfs/dbraw/zinc/88/25/74/1047882574.db2.gz GWBMYFICSQGYED-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(OC(F)F)ccc3Br)C[C@H]2CC1 ZINC001279698648 1047921384 /nfs/dbraw/zinc/92/13/84/1047921384.db2.gz NBMYFXGUZZBJII-BETUJISGSA-N 2 1 389.284 3.824 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(OC(F)F)ccc3Br)C[C@H]2CC1 ZINC001279698648 1047921385 /nfs/dbraw/zinc/92/13/85/1047921385.db2.gz NBMYFXGUZZBJII-BETUJISGSA-N 2 1 389.284 3.824 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(OC(F)F)ccc3Br)C[C@H]2CC1 ZINC001279698648 1047921387 /nfs/dbraw/zinc/92/13/87/1047921387.db2.gz NBMYFXGUZZBJII-BETUJISGSA-N 2 1 389.284 3.824 20 0 GHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001280217181 1048128836 /nfs/dbraw/zinc/12/88/36/1048128836.db2.gz JYSLTFDXUXFNCM-OAHLLOKOSA-N 2 1 378.479 3.847 20 0 GHADMP C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001280217181 1048128842 /nfs/dbraw/zinc/12/88/42/1048128842.db2.gz JYSLTFDXUXFNCM-OAHLLOKOSA-N 2 1 378.479 3.847 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001287926203 1048949587 /nfs/dbraw/zinc/94/95/87/1048949587.db2.gz XVKPQQDMJWIPMJ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001287926203 1048949588 /nfs/dbraw/zinc/94/95/88/1048949588.db2.gz XVKPQQDMJWIPMJ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001287926203 1048949590 /nfs/dbraw/zinc/94/95/90/1048949590.db2.gz XVKPQQDMJWIPMJ-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001307440332 1049276457 /nfs/dbraw/zinc/27/64/57/1049276457.db2.gz JLLIDQDSALFGFD-NJDAHSKKSA-N 2 1 393.616 3.933 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001307456806 1049292989 /nfs/dbraw/zinc/29/29/89/1049292989.db2.gz XVRNUAYYERXRCY-VQTJNVASSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001307456806 1049293000 /nfs/dbraw/zinc/29/30/00/1049293000.db2.gz XVRNUAYYERXRCY-VQTJNVASSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCC(C)(C)C2CC2)CC1)Cc1ccccc1 ZINC001307504195 1049347618 /nfs/dbraw/zinc/34/76/18/1049347618.db2.gz OOCPYZLDRHOBMD-UHFFFAOYSA-N 2 1 385.596 3.773 20 0 GHADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001307729916 1049542564 /nfs/dbraw/zinc/54/25/64/1049542564.db2.gz JTLVMYJHWYMNDC-UEVCKROQSA-N 2 1 379.548 3.592 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CC[C@@H](CC(C)(C)C)C3)cc2)CC1 ZINC001307848362 1049631515 /nfs/dbraw/zinc/63/15/15/1049631515.db2.gz YJEQXRVEMIZCHQ-IBGZPJMESA-N 2 1 386.584 3.525 20 0 GHADMP C[C@H](CSc1ccccc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307907305 1049684154 /nfs/dbraw/zinc/68/41/54/1049684154.db2.gz KSWXAILUQFBQTH-WIYYLYMNSA-N 2 1 385.577 3.518 20 0 GHADMP C[C@H](CSc1ccccc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001307907305 1049684171 /nfs/dbraw/zinc/68/41/71/1049684171.db2.gz KSWXAILUQFBQTH-WIYYLYMNSA-N 2 1 385.577 3.518 20 0 GHADMP C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001307973955 1049733403 /nfs/dbraw/zinc/73/34/03/1049733403.db2.gz LMVXLXLINRZGQV-YEFOHOTDSA-N 2 1 383.580 3.754 20 0 GHADMP CC[N@H+](CC(=O)Nc1nc2c(s1)CCCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC001307975893 1049734672 /nfs/dbraw/zinc/73/46/72/1049734672.db2.gz PDEYSMYKGUDXAH-UHFFFAOYSA-N 2 1 386.565 3.544 20 0 GHADMP CC[N@@H+](CC(=O)Nc1nc2c(s1)CCCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC001307975893 1049734675 /nfs/dbraw/zinc/73/46/75/1049734675.db2.gz PDEYSMYKGUDXAH-UHFFFAOYSA-N 2 1 386.565 3.544 20 0 GHADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 ZINC001308043166 1049792888 /nfs/dbraw/zinc/79/28/88/1049792888.db2.gz ROIGLBWBDJLYPP-OAQYLSRUSA-N 2 1 398.595 3.745 20 0 GHADMP CC(C)(C)OC(=O)C1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001308635793 1050042562 /nfs/dbraw/zinc/04/25/62/1050042562.db2.gz SRQSFHSAFYURBT-QKQBLWMGSA-N 2 1 384.564 3.997 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001330154365 1050967248 /nfs/dbraw/zinc/96/72/48/1050967248.db2.gz MZPSJFLCYOXPCA-GTCWDNOESA-N 2 1 398.595 3.744 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC001331501536 1051302725 /nfs/dbraw/zinc/30/27/25/1051302725.db2.gz LZWBBJIBHANUCA-RBBKRZOGSA-N 2 1 383.511 3.668 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCN(C)CC3)c1)CCC2 ZINC001333468080 1051747498 /nfs/dbraw/zinc/74/74/98/1051747498.db2.gz YIFBYSQPSMDHBL-XMMPIXPASA-N 2 1 379.548 3.610 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(C(C)(C)O)cc1 ZINC001334361948 1051934404 /nfs/dbraw/zinc/93/44/04/1051934404.db2.gz XGQLKNDWKIYIKN-IBGZPJMESA-N 2 1 381.564 3.512 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCCCC1 ZINC001311346035 1052042444 /nfs/dbraw/zinc/04/24/44/1052042444.db2.gz SLIBAHLKSBJRLX-FQEVSTJZSA-N 2 1 378.605 3.595 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001311400788 1052101657 /nfs/dbraw/zinc/10/16/57/1052101657.db2.gz SXUHZAKZJRZSTA-PHZLKFDYSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001311430533 1052136694 /nfs/dbraw/zinc/13/66/94/1052136694.db2.gz NHPQRPXRGSBJFV-TZIWHRDSSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001311430533 1052136704 /nfs/dbraw/zinc/13/67/04/1052136704.db2.gz NHPQRPXRGSBJFV-TZIWHRDSSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001311430533 1052136718 /nfs/dbraw/zinc/13/67/18/1052136718.db2.gz NHPQRPXRGSBJFV-TZIWHRDSSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC001311553328 1052240138 /nfs/dbraw/zinc/24/01/38/1052240138.db2.gz BZAFWNYLURDGES-PMACEKPBSA-N 2 1 388.600 3.564 20 0 GHADMP O=C(CC[NH2+][C@H]1CCc2c[nH+]cn2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC001336703556 1052310441 /nfs/dbraw/zinc/31/04/41/1052310441.db2.gz LBKHKEJEERRBQE-SFHVURJKSA-N 2 1 376.460 3.609 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001311694286 1052336261 /nfs/dbraw/zinc/33/62/61/1052336261.db2.gz LQHZQFKRPZJYRD-UXHICEINSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001311694286 1052336270 /nfs/dbraw/zinc/33/62/70/1052336270.db2.gz LQHZQFKRPZJYRD-UXHICEINSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001312140087 1052593986 /nfs/dbraw/zinc/59/39/86/1052593986.db2.gz CHAGTDKCTTYEQT-VIZSFHNOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001312140087 1052593993 /nfs/dbraw/zinc/59/39/93/1052593993.db2.gz CHAGTDKCTTYEQT-VIZSFHNOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001312140087 1052594003 /nfs/dbraw/zinc/59/40/03/1052594003.db2.gz CHAGTDKCTTYEQT-VIZSFHNOSA-N 2 1 398.595 3.555 20 0 GHADMP CC1(C)CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001312775719 1052865943 /nfs/dbraw/zinc/86/59/43/1052865943.db2.gz DZFPGMVVLJXCJO-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001313169196 1052975097 /nfs/dbraw/zinc/97/50/97/1052975097.db2.gz ZPUQFYFWCFAJTA-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001313663976 1053160506 /nfs/dbraw/zinc/16/05/06/1053160506.db2.gz LSXMGTLAWNYDLA-IBGZPJMESA-N 2 1 390.620 3.587 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001342737822 1053328658 /nfs/dbraw/zinc/32/86/58/1053328658.db2.gz HRRMYTMMNJOCQP-HLAWJBBLSA-N 2 1 397.588 3.840 20 0 GHADMP C[NH+](C)CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001343757854 1054001391 /nfs/dbraw/zinc/00/13/91/1054001391.db2.gz GOWGVURFHQRSNT-NOTZXAQLSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001319288607 1055157868 /nfs/dbraw/zinc/15/78/68/1055157868.db2.gz CVYXWZAEDTUSCZ-REWPJTCUSA-N 3 1 384.612 3.571 20 0 GHADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001319543965 1055317056 /nfs/dbraw/zinc/31/70/56/1055317056.db2.gz YOMFOJGWGSKQDU-TZIWHRDSSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001319543965 1055317081 /nfs/dbraw/zinc/31/70/81/1055317081.db2.gz YOMFOJGWGSKQDU-TZIWHRDSSA-N 2 1 396.579 3.751 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN(C)C(=O)OC(C)(C)C ZINC001319946371 1055555776 /nfs/dbraw/zinc/55/57/76/1055555776.db2.gz LSKMAPYTDWOGBO-DYXWJJEUSA-N 2 1 389.584 3.990 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001319995418 1055585518 /nfs/dbraw/zinc/58/55/18/1055585518.db2.gz OSCYNHSHDRRKDC-NZQKXSOJSA-N 2 1 383.580 3.937 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001319995418 1055585527 /nfs/dbraw/zinc/58/55/27/1055585527.db2.gz OSCYNHSHDRRKDC-NZQKXSOJSA-N 2 1 383.580 3.937 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC001320176746 1055692654 /nfs/dbraw/zinc/69/26/54/1055692654.db2.gz LSNMZPRBJPOGOD-AKIFATBCSA-N 2 1 395.522 3.599 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC001320176746 1055692656 /nfs/dbraw/zinc/69/26/56/1055692656.db2.gz LSNMZPRBJPOGOD-AKIFATBCSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC001320176746 1055692660 /nfs/dbraw/zinc/69/26/60/1055692660.db2.gz LSNMZPRBJPOGOD-AKIFATBCSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC001320176746 1055692664 /nfs/dbraw/zinc/69/26/64/1055692664.db2.gz LSNMZPRBJPOGOD-AKIFATBCSA-N 2 1 395.522 3.599 20 0 GHADMP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001320309150 1055748606 /nfs/dbraw/zinc/74/86/06/1055748606.db2.gz SIYMXPFIMGRIMQ-PXNSSMCTSA-N 2 1 376.504 3.768 20 0 GHADMP Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc2c[nH+]cn21 ZINC001320692693 1055930410 /nfs/dbraw/zinc/93/04/10/1055930410.db2.gz ZKWRAJIFKWYRIF-KRWDZBQOSA-N 2 1 376.504 3.805 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC001323338792 1056954967 /nfs/dbraw/zinc/95/49/67/1056954967.db2.gz HXPVODQZBYTHKK-VJBWXMMDSA-N 2 1 383.580 3.823 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001323744472 1057007594 /nfs/dbraw/zinc/00/75/94/1057007594.db2.gz MAYNMFXUWUHMMF-DHIUTWEWSA-N 2 1 379.548 3.921 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[NH+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809288 1057016993 /nfs/dbraw/zinc/01/69/93/1057016993.db2.gz NBTZZMHEUJIVAG-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809288 1057016997 /nfs/dbraw/zinc/01/69/97/1057016997.db2.gz NBTZZMHEUJIVAG-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC001323809288 1057017001 /nfs/dbraw/zinc/01/70/01/1057017001.db2.gz NBTZZMHEUJIVAG-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC001323976531 1057048058 /nfs/dbraw/zinc/04/80/58/1057048058.db2.gz HWYVZGVBNGWTTK-HUUCEWRRSA-N 2 1 387.446 3.624 20 0 GHADMP CC[NH+](CC)Cc1ccc(-c2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)o2)o1 ZINC001324098703 1057069727 /nfs/dbraw/zinc/06/97/27/1057069727.db2.gz BEYWKNKXVWMTMV-HXUWFJFHSA-N 2 1 396.491 3.745 20 0 GHADMP CC[NH+](CC)Cc1ccc(-c2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)o2)o1 ZINC001324098703 1057069733 /nfs/dbraw/zinc/06/97/33/1057069733.db2.gz BEYWKNKXVWMTMV-HXUWFJFHSA-N 2 1 396.491 3.745 20 0 GHADMP COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CNc3cccc(C)n3)o2)cc1 ZINC001324296569 1057106523 /nfs/dbraw/zinc/10/65/23/1057106523.db2.gz GDQCOPZFOCPCBU-QGZVFWFLSA-N 2 1 379.464 3.525 20 0 GHADMP COc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3CNc3cccc(C)n3)o2)cc1 ZINC001324296569 1057106525 /nfs/dbraw/zinc/10/65/25/1057106525.db2.gz GDQCOPZFOCPCBU-QGZVFWFLSA-N 2 1 379.464 3.525 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)cc3ccccc32)CC1 ZINC001355689369 1057251122 /nfs/dbraw/zinc/25/11/22/1057251122.db2.gz RASISGDSROKZIS-UHFFFAOYSA-N 2 1 380.879 3.892 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000848989819 1057492777 /nfs/dbraw/zinc/49/27/77/1057492777.db2.gz CJWNZQWAJIOTJZ-KNQAVFIVSA-N 2 1 394.563 3.652 20 0 GHADMP COc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OCc1cccnc1 ZINC001327006407 1057584891 /nfs/dbraw/zinc/58/48/91/1057584891.db2.gz YCHXYOUFGZDGAH-UHFFFAOYSA-N 2 1 381.520 3.635 20 0 GHADMP COc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)cc1 ZINC001440374477 1058506752 /nfs/dbraw/zinc/50/67/52/1058506752.db2.gz ODKDVNHSRUEERN-PKTZIBPZSA-N 2 1 399.579 3.745 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001440678574 1058580502 /nfs/dbraw/zinc/58/05/02/1058580502.db2.gz JTEYEEFAFYSNNW-SFHVURJKSA-N 2 1 377.960 3.543 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102354 1059927906 /nfs/dbraw/zinc/92/79/06/1059927906.db2.gz DDTKYLVOPYRYOC-UWVAXJGDSA-N 2 1 395.950 3.710 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102354 1059927907 /nfs/dbraw/zinc/92/79/07/1059927907.db2.gz DDTKYLVOPYRYOC-UWVAXJGDSA-N 2 1 395.950 3.710 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102354 1059927908 /nfs/dbraw/zinc/92/79/08/1059927908.db2.gz DDTKYLVOPYRYOC-UWVAXJGDSA-N 2 1 395.950 3.710 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC001449172806 1060344323 /nfs/dbraw/zinc/34/43/23/1060344323.db2.gz YYOGKHBXZHSUDZ-OALUTQOASA-N 2 1 391.987 3.756 20 0 GHADMP Cc1nc(-c2ccccc2)n(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001341616978 1060776469 /nfs/dbraw/zinc/77/64/69/1060776469.db2.gz ISJKGSBQHDLOCG-UHFFFAOYSA-N 2 1 390.535 3.845 20 0 GHADMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001454009345 1061571930 /nfs/dbraw/zinc/57/19/30/1061571930.db2.gz JYYSSOYJFHARDE-ZWKOTPCHSA-N 2 1 385.474 3.689 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001454009345 1061571954 /nfs/dbraw/zinc/57/19/54/1061571954.db2.gz JYYSSOYJFHARDE-ZWKOTPCHSA-N 2 1 385.474 3.689 20 0 GHADMP Cc1ccccc1NC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC001346588894 1061708824 /nfs/dbraw/zinc/70/88/24/1061708824.db2.gz OWPVZXNKFIOBLZ-UHFFFAOYSA-N 2 1 385.943 3.797 20 0 GHADMP CC(C)(C)[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001347516238 1062458265 /nfs/dbraw/zinc/45/82/65/1062458265.db2.gz WKYNBDZFRCYBPH-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]C3CCC(OC4CCCC4)CC3)c2)CC1 ZINC001347781124 1062659565 /nfs/dbraw/zinc/65/95/65/1062659565.db2.gz BHNWABKIISUYHV-UHFFFAOYSA-N 2 1 385.596 3.794 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001457551554 1063240604 /nfs/dbraw/zinc/24/06/04/1063240604.db2.gz VRCACOAFVPWYRA-MXKPZRPRSA-N 2 1 387.568 3.598 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001457611846 1063277021 /nfs/dbraw/zinc/27/70/21/1063277021.db2.gz KADLVLBPTPADRH-GOSISDBHSA-N 2 1 383.540 3.752 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001457611846 1063277044 /nfs/dbraw/zinc/27/70/44/1063277044.db2.gz KADLVLBPTPADRH-GOSISDBHSA-N 2 1 383.540 3.752 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccccc1 ZINC001459357013 1064074683 /nfs/dbraw/zinc/07/46/83/1064074683.db2.gz YTSZPRQWVQTXMA-IRLDBZIGSA-N 2 1 399.966 3.766 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)c1ccccc1 ZINC001459357013 1064074688 /nfs/dbraw/zinc/07/46/88/1064074688.db2.gz YTSZPRQWVQTXMA-IRLDBZIGSA-N 2 1 399.966 3.766 20 0 GHADMP OC[C@H]1c2ccccc2CC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001459719471 1064185666 /nfs/dbraw/zinc/18/56/66/1064185666.db2.gz OMMSYEREDCOACS-VWLOTQADSA-N 2 1 378.560 3.923 20 0 GHADMP OC[C@H]1c2ccccc2CC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001459719471 1064185669 /nfs/dbraw/zinc/18/56/69/1064185669.db2.gz OMMSYEREDCOACS-VWLOTQADSA-N 2 1 378.560 3.923 20 0 GHADMP Cc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001459747505 1064199068 /nfs/dbraw/zinc/19/90/68/1064199068.db2.gz HHJONAJHCHJEKZ-XMMPIXPASA-N 2 1 391.559 3.695 20 0 GHADMP COC(=O)c1ccc(OC)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001459876362 1064252315 /nfs/dbraw/zinc/25/23/15/1064252315.db2.gz GOSJBGIWYPSZRI-UHFFFAOYSA-N 2 1 397.519 3.615 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc2c(c1)OCO2 ZINC001460005876 1064338030 /nfs/dbraw/zinc/33/80/30/1064338030.db2.gz MLUFVSBBNCSFTQ-JOCHJYFZSA-N 2 1 382.504 3.684 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc2c(c1)OCO2 ZINC001460005876 1064338039 /nfs/dbraw/zinc/33/80/39/1064338039.db2.gz MLUFVSBBNCSFTQ-JOCHJYFZSA-N 2 1 382.504 3.684 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C[N@H+]2C1 ZINC001465257152 1065505030 /nfs/dbraw/zinc/50/50/30/1065505030.db2.gz FXJOIBYLBRUHAB-KRQRVDPASA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C[NH+]2C1 ZINC001465257152 1065505050 /nfs/dbraw/zinc/50/50/50/1065505050.db2.gz FXJOIBYLBRUHAB-KRQRVDPASA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C[NH+]2C1 ZINC001465257152 1065505072 /nfs/dbraw/zinc/50/50/72/1065505072.db2.gz FXJOIBYLBRUHAB-KRQRVDPASA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001465762034 1065838143 /nfs/dbraw/zinc/83/81/43/1065838143.db2.gz RHEIEMFWVBDFOV-INIZCTEOSA-N 2 1 394.535 3.541 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC001465762034 1065838162 /nfs/dbraw/zinc/83/81/62/1065838162.db2.gz RHEIEMFWVBDFOV-INIZCTEOSA-N 2 1 394.535 3.541 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC001466061593 1065970139 /nfs/dbraw/zinc/97/01/39/1065970139.db2.gz VFGPQBGHCMBOQO-WXFUMESZSA-N 2 1 399.623 3.875 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001466061593 1065970145 /nfs/dbraw/zinc/97/01/45/1065970145.db2.gz VFGPQBGHCMBOQO-WXFUMESZSA-N 2 1 399.623 3.875 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001466061593 1065970149 /nfs/dbraw/zinc/97/01/49/1065970149.db2.gz VFGPQBGHCMBOQO-WXFUMESZSA-N 2 1 399.623 3.875 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1cccc(OC)c1 ZINC001466700539 1066264824 /nfs/dbraw/zinc/26/48/24/1066264824.db2.gz BGVQMLNGBXDZCF-FQEVSTJZSA-N 2 1 395.507 3.856 20 0 GHADMP CN(C)c1cc(NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC001467118418 1067080357 /nfs/dbraw/zinc/08/03/57/1067080357.db2.gz BSOZLKDPAPDYTI-UHFFFAOYSA-N 2 1 393.535 3.668 20 0 GHADMP CN(C)c1cc(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC001467118418 1067080371 /nfs/dbraw/zinc/08/03/71/1067080371.db2.gz BSOZLKDPAPDYTI-UHFFFAOYSA-N 2 1 393.535 3.668 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001357398474 1067082720 /nfs/dbraw/zinc/08/27/20/1067082720.db2.gz YMIQUMCSYAOFIX-SYYKKAFVSA-N 2 1 395.547 3.645 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001477615905 1078492712 /nfs/dbraw/zinc/49/27/12/1078492712.db2.gz ZNUKNXQHGWNHNX-IFMALSPDSA-N 2 1 398.595 3.872 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC001467570905 1067364898 /nfs/dbraw/zinc/36/48/98/1067364898.db2.gz VEAIQUHXHKHYAB-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP O=C(NCC[N@H+]1CCc2ccccc2C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001467575869 1067367088 /nfs/dbraw/zinc/36/70/88/1067367088.db2.gz UKMBYVPZURLZIE-UHFFFAOYSA-N 2 1 398.595 3.533 20 0 GHADMP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001467684557 1067418805 /nfs/dbraw/zinc/41/88/05/1067418805.db2.gz SBEUQOOZISKZHT-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001467684557 1067418811 /nfs/dbraw/zinc/41/88/11/1067418811.db2.gz SBEUQOOZISKZHT-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001467684557 1067418815 /nfs/dbraw/zinc/41/88/15/1067418815.db2.gz SBEUQOOZISKZHT-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001468175648 1067621158 /nfs/dbraw/zinc/62/11/58/1067621158.db2.gz OSGYHFWJFSSMBU-VIZSFHNOSA-N 2 1 386.584 3.585 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001477866666 1078602602 /nfs/dbraw/zinc/60/26/02/1078602602.db2.gz JTEHULPRWIINMO-PZJWPPBQSA-N 2 1 392.632 3.983 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001477866666 1078602605 /nfs/dbraw/zinc/60/26/05/1078602605.db2.gz JTEHULPRWIINMO-PZJWPPBQSA-N 2 1 392.632 3.983 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001477866666 1078602610 /nfs/dbraw/zinc/60/26/10/1078602610.db2.gz JTEHULPRWIINMO-PZJWPPBQSA-N 2 1 392.632 3.983 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC001468831014 1067903487 /nfs/dbraw/zinc/90/34/87/1067903487.db2.gz LLGZQPQNBIRVAO-VQTJNVASSA-N 2 1 386.584 3.681 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC001468842952 1067906922 /nfs/dbraw/zinc/90/69/22/1067906922.db2.gz WCEFCTRYPNXIGO-JPYJTQIMSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC001468842952 1067906928 /nfs/dbraw/zinc/90/69/28/1067906928.db2.gz WCEFCTRYPNXIGO-JPYJTQIMSA-N 2 1 392.547 3.698 20 0 GHADMP C[N@@H+](CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C1CCCCC1 ZINC001477926230 1078631053 /nfs/dbraw/zinc/63/10/53/1078631053.db2.gz FELTVXMRHKQQJM-QFIPXVFZSA-N 2 1 386.584 3.777 20 0 GHADMP C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001469368170 1068127292 /nfs/dbraw/zinc/12/72/92/1068127292.db2.gz IBPCQVCGTYKBDC-TZRRMPRUSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001469368170 1068127296 /nfs/dbraw/zinc/12/72/96/1068127296.db2.gz IBPCQVCGTYKBDC-TZRRMPRUSA-N 2 1 391.559 3.503 20 0 GHADMP C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC001469368170 1068127301 /nfs/dbraw/zinc/12/73/01/1068127301.db2.gz IBPCQVCGTYKBDC-TZRRMPRUSA-N 2 1 391.559 3.503 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)c1 ZINC001469385351 1068136182 /nfs/dbraw/zinc/13/61/82/1068136182.db2.gz NAGAFEUKDVVPEN-UXHICEINSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001469385351 1068136186 /nfs/dbraw/zinc/13/61/86/1068136186.db2.gz NAGAFEUKDVVPEN-UXHICEINSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001469385351 1068136190 /nfs/dbraw/zinc/13/61/90/1068136190.db2.gz NAGAFEUKDVVPEN-UXHICEINSA-N 2 1 388.600 3.933 20 0 GHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccc(C)c(F)c1 ZINC001469614019 1068258513 /nfs/dbraw/zinc/25/85/13/1068258513.db2.gz YGXKSQJUPIVXBQ-CTNGQTDRSA-N 2 1 392.563 3.643 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Cl)cc1 ZINC001478057400 1078695007 /nfs/dbraw/zinc/69/50/07/1078695007.db2.gz KOFPYZSOUVSRJM-UXHICEINSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC001469896184 1068456728 /nfs/dbraw/zinc/45/67/28/1068456728.db2.gz VMEHQIPXRQHFKT-VXKWHMMOSA-N 2 1 399.966 3.718 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC001469896184 1068456734 /nfs/dbraw/zinc/45/67/34/1068456734.db2.gz VMEHQIPXRQHFKT-VXKWHMMOSA-N 2 1 399.966 3.718 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H](CC)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001478192459 1078760178 /nfs/dbraw/zinc/76/01/78/1078760178.db2.gz QZJBWHSBLAKWEH-UXHICEINSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001460615138 1069032607 /nfs/dbraw/zinc/03/26/07/1069032607.db2.gz IOAPGZYPQFEFET-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001460615138 1069032626 /nfs/dbraw/zinc/03/26/26/1069032626.db2.gz IOAPGZYPQFEFET-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001460615138 1069032642 /nfs/dbraw/zinc/03/26/42/1069032642.db2.gz IOAPGZYPQFEFET-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001478519296 1078902986 /nfs/dbraw/zinc/90/29/86/1078902986.db2.gz LDSJMMQBFIBENE-HXUWFJFHSA-N 2 1 378.605 3.596 20 0 GHADMP CN(CC1([NH+](C)C)CCC1)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471047753 1072903702 /nfs/dbraw/zinc/90/37/02/1072903702.db2.gz WOUAOQZOPUZVNW-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(C)c(C)c(C)c(C)c3C)CC2)CC1 ZINC001473162910 1073819496 /nfs/dbraw/zinc/81/94/96/1073819496.db2.gz IONNBYVXAXCCJN-UHFFFAOYSA-N 2 1 399.623 3.995 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC001473200652 1073854220 /nfs/dbraw/zinc/85/42/20/1073854220.db2.gz FZSYNBFXNDXXBQ-VXKWHMMOSA-N 2 1 375.601 3.754 20 0 GHADMP C[NH+]1CCN(C(=O)CC[N@@H+](C2CC2)[C@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC001473200652 1073854229 /nfs/dbraw/zinc/85/42/29/1073854229.db2.gz FZSYNBFXNDXXBQ-VXKWHMMOSA-N 2 1 375.601 3.754 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC001473407036 1073952517 /nfs/dbraw/zinc/95/25/17/1073952517.db2.gz MMBVQLMFXKUEGN-VQIMIIECSA-N 2 1 388.474 3.811 20 0 GHADMP C[C@]12C[NH+](CCC(=O)NCC3CCCCC3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001473717920 1074105070 /nfs/dbraw/zinc/10/50/70/1074105070.db2.gz CECRZENPDBNWCK-JWQCQUIFSA-N 2 1 397.607 3.917 20 0 GHADMP C[NH+](C)C1(C)CC[NH+](Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001473720888 1074106181 /nfs/dbraw/zinc/10/61/81/1074106181.db2.gz DIPZGNHXQQNJFK-UHFFFAOYSA-N 2 1 387.568 3.896 20 0 GHADMP COc1ccccc1CCC[N@H+]1CCCN(Cc2ccccc2)CCOCC1 ZINC001473830004 1074163686 /nfs/dbraw/zinc/16/36/86/1074163686.db2.gz KLEAUCXXRNOOIL-UHFFFAOYSA-N 2 1 382.548 3.852 20 0 GHADMP COc1ccccc1CCCN1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001473830004 1074163692 /nfs/dbraw/zinc/16/36/92/1074163692.db2.gz KLEAUCXXRNOOIL-UHFFFAOYSA-N 2 1 382.548 3.852 20 0 GHADMP COc1ccccc1CCCN1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001473830004 1074163698 /nfs/dbraw/zinc/16/36/98/1074163698.db2.gz KLEAUCXXRNOOIL-UHFFFAOYSA-N 2 1 382.548 3.852 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C3(C4CCCCC4)CC3)CC2)cc1 ZINC001473869591 1074183200 /nfs/dbraw/zinc/18/32/00/1074183200.db2.gz GLMBCGWAIFYQMR-UHFFFAOYSA-N 2 1 383.580 3.732 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001473915575 1074201563 /nfs/dbraw/zinc/20/15/63/1074201563.db2.gz AMHVLVLMENIAEZ-UHFFFAOYSA-N 2 1 387.568 3.944 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC001473929936 1074208092 /nfs/dbraw/zinc/20/80/92/1074208092.db2.gz NKMASVCDOGQDEK-UHFFFAOYSA-N 2 1 391.506 3.949 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001474027867 1074241486 /nfs/dbraw/zinc/24/14/86/1074241486.db2.gz JUGFYNNJVFEFFY-QZTJIDSGSA-N 2 1 399.373 3.827 20 0 GHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001474165740 1074281422 /nfs/dbraw/zinc/28/14/22/1074281422.db2.gz CSWSWJCIVHODFM-RBUKOAKNSA-N 2 1 397.604 3.645 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001474165740 1074281431 /nfs/dbraw/zinc/28/14/31/1074281431.db2.gz CSWSWJCIVHODFM-RBUKOAKNSA-N 2 1 397.604 3.645 20 0 GHADMP Cc1cc(C(F)(F)F)nn1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001474269541 1074318721 /nfs/dbraw/zinc/31/87/21/1074318721.db2.gz NRXGPMPUZNYUOJ-UHFFFAOYSA-N 2 1 398.448 3.646 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505147 1074437545 /nfs/dbraw/zinc/43/75/45/1074437545.db2.gz PTCMVTKFXNVHFJ-SPACUTFJSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505147 1074437548 /nfs/dbraw/zinc/43/75/48/1074437548.db2.gz PTCMVTKFXNVHFJ-SPACUTFJSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505147 1074437551 /nfs/dbraw/zinc/43/75/51/1074437551.db2.gz PTCMVTKFXNVHFJ-SPACUTFJSA-N 2 1 377.573 3.581 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC001474694743 1074519972 /nfs/dbraw/zinc/51/99/72/1074519972.db2.gz MXKFTDFZFLOTJS-KSZLIROESA-N 2 1 378.442 3.545 20 0 GHADMP COC(=O)c1sccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001474745551 1074542809 /nfs/dbraw/zinc/54/28/09/1074542809.db2.gz RVTQYJJESPPSBW-HSALFYBXSA-N 2 1 384.545 3.925 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001476017776 1075069530 /nfs/dbraw/zinc/06/95/30/1075069530.db2.gz YNWQXILUDYOPAR-QFIPXVFZSA-N 2 1 386.584 3.909 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001495638916 1079425624 /nfs/dbraw/zinc/42/56/24/1079425624.db2.gz IFUJEVYXTDFLRH-WOJBJXKFSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCCC[NH+]1CC ZINC001495638916 1079425627 /nfs/dbraw/zinc/42/56/27/1079425627.db2.gz IFUJEVYXTDFLRH-WOJBJXKFSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@H]1CCCC[NH+]1CC ZINC001495638916 1079425629 /nfs/dbraw/zinc/42/56/29/1079425629.db2.gz IFUJEVYXTDFLRH-WOJBJXKFSA-N 2 1 390.620 3.587 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C1CCCCC1 ZINC000821614332 606213113 /nfs/dbraw/zinc/21/31/13/606213113.db2.gz AQMFOKPWRDDOBW-UHFFFAOYSA-N 2 1 396.564 3.983 20 0 GHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000820704544 606914767 /nfs/dbraw/zinc/91/47/67/606914767.db2.gz OPGZHQCYCACYHK-ROUUACIJSA-N 2 1 382.556 3.904 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824531811 609348529 /nfs/dbraw/zinc/34/85/29/609348529.db2.gz QTBQAEUXRAZFOS-GJYPPUQNSA-N 2 1 394.498 3.567 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824531811 609348533 /nfs/dbraw/zinc/34/85/33/609348533.db2.gz QTBQAEUXRAZFOS-GJYPPUQNSA-N 2 1 394.498 3.567 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ncccc4C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001164622283 719111559 /nfs/dbraw/zinc/11/15/59/719111559.db2.gz BPRWQZKCRXMCQY-JTHBVZDNSA-N 2 1 376.548 3.778 20 0 GHADMP Cc1ccc2c(C)cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2c1C ZINC001164679512 719640602 /nfs/dbraw/zinc/64/06/02/719640602.db2.gz DSZWXQUZEHLJCA-UHFFFAOYSA-N 2 1 377.536 3.832 20 0 GHADMP Cc1ccc2c(C)cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2c1C ZINC001164679512 719640608 /nfs/dbraw/zinc/64/06/08/719640608.db2.gz DSZWXQUZEHLJCA-UHFFFAOYSA-N 2 1 377.536 3.832 20 0 GHADMP c1ccc(C[NH+]2CCc3nc(N4CC5(C4)CC[N@H+](CC4CC4)C5)ccc3C2)cc1 ZINC001164774194 721284829 /nfs/dbraw/zinc/28/48/29/721284829.db2.gz XUDMBJYFIPDENF-UHFFFAOYSA-N 2 1 388.559 3.562 20 0 GHADMP c1ccc(C[N@@H+]2CCc3nc(N4CC5(C4)CC[NH+](CC4CC4)C5)ccc3C2)cc1 ZINC001164774194 721284833 /nfs/dbraw/zinc/28/48/33/721284833.db2.gz XUDMBJYFIPDENF-UHFFFAOYSA-N 2 1 388.559 3.562 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CC5(C4)CC[NH+](CC4CC4)C5)ccc3C2)cc1 ZINC001164774194 721284836 /nfs/dbraw/zinc/28/48/36/721284836.db2.gz XUDMBJYFIPDENF-UHFFFAOYSA-N 2 1 388.559 3.562 20 0 GHADMP CCOc1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164939751 721926118 /nfs/dbraw/zinc/92/61/18/721926118.db2.gz MMJRTFRPBPYVBP-UHFFFAOYSA-N 2 1 381.520 3.660 20 0 GHADMP Cc1cccc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981028 722149837 /nfs/dbraw/zinc/14/98/37/722149837.db2.gz OJXDQPFTVKYZFR-FCHUYYIVSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cccc2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981028 722149839 /nfs/dbraw/zinc/14/98/39/722149839.db2.gz OJXDQPFTVKYZFR-FCHUYYIVSA-N 2 1 388.515 3.666 20 0 GHADMP Fc1cccc(COc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)c1 ZINC000655698363 837688156 /nfs/dbraw/zinc/68/81/56/837688156.db2.gz VIGYHWWROLPZLI-JOCHJYFZSA-N 2 1 384.495 3.748 20 0 GHADMP Brc1ccccc1C1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655716456 837721725 /nfs/dbraw/zinc/72/17/25/837721725.db2.gz YASMILHJJITBMN-KRWDZBQOSA-N 2 1 393.369 3.714 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1oc2ccccc2c1Br ZINC000655735403 837765595 /nfs/dbraw/zinc/76/55/95/837765595.db2.gz UXTAWLWGDKSIKP-AWEZNQCLSA-N 2 1 381.314 3.522 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706919 834552636 /nfs/dbraw/zinc/55/26/36/834552636.db2.gz VOUIMIXMIOMFKI-QKLQHJQFSA-N 2 1 387.549 3.537 20 0 GHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707504 834556041 /nfs/dbraw/zinc/55/60/41/834556041.db2.gz HLNICROSNJKQEJ-CZTZKLFOSA-N 2 1 396.579 3.888 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000458572394 834558783 /nfs/dbraw/zinc/55/87/83/834558783.db2.gz DOYAPUIYPJRCJJ-ROUUACIJSA-N 2 1 380.964 3.505 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000458572394 834558789 /nfs/dbraw/zinc/55/87/89/834558789.db2.gz DOYAPUIYPJRCJJ-ROUUACIJSA-N 2 1 380.964 3.505 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000650723560 834703126 /nfs/dbraw/zinc/70/31/26/834703126.db2.gz QGRHRQWHYCXGCU-PTUXOGIPSA-N 2 1 381.520 3.521 20 0 GHADMP CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000093814531 834705335 /nfs/dbraw/zinc/70/53/35/834705335.db2.gz XEJUZVMXWXRBPG-JOCHJYFZSA-N 2 1 379.552 3.689 20 0 GHADMP CC(C)c1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000093814531 834705338 /nfs/dbraw/zinc/70/53/38/834705338.db2.gz XEJUZVMXWXRBPG-JOCHJYFZSA-N 2 1 379.552 3.689 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000536098126 834847699 /nfs/dbraw/zinc/84/76/99/834847699.db2.gz JAPBZZUTULKMCJ-DHIUTWEWSA-N 2 1 394.563 3.773 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000431569711 834930284 /nfs/dbraw/zinc/93/02/84/834930284.db2.gz JNWXDABEOJRGLD-HXUWFJFHSA-N 2 1 379.976 3.817 20 0 GHADMP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c(Cl)c1 ZINC000655760496 837824817 /nfs/dbraw/zinc/82/48/17/837824817.db2.gz RNBOAXMNRDWHOY-MSOLQXFVSA-N 2 1 398.378 3.805 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511276435 834946578 /nfs/dbraw/zinc/94/65/78/834946578.db2.gz HXMOQJLQJGADBW-KRWDZBQOSA-N 2 1 397.588 3.909 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511276435 834946582 /nfs/dbraw/zinc/94/65/82/834946582.db2.gz HXMOQJLQJGADBW-KRWDZBQOSA-N 2 1 397.588 3.909 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511276435 834946589 /nfs/dbraw/zinc/94/65/89/834946589.db2.gz HXMOQJLQJGADBW-KRWDZBQOSA-N 2 1 397.588 3.909 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511276435 834946594 /nfs/dbraw/zinc/94/65/94/834946594.db2.gz HXMOQJLQJGADBW-KRWDZBQOSA-N 2 1 397.588 3.909 20 0 GHADMP Brc1ccc2[nH]c(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1 ZINC000655757178 837830935 /nfs/dbraw/zinc/83/09/35/837830935.db2.gz PEEIRIXDWSJVDR-GOSISDBHSA-N 2 1 392.341 3.663 20 0 GHADMP C[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457888 835022177 /nfs/dbraw/zinc/02/21/77/835022177.db2.gz ROEXOINIVIDCIX-KRWDZBQOSA-N 2 1 389.490 3.825 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2c(s1)CCC2 ZINC000583787530 835034618 /nfs/dbraw/zinc/03/46/18/835034618.db2.gz KDWKVXMQIHURJH-RDJZCZTQSA-N 2 1 375.607 3.938 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274758080 835037120 /nfs/dbraw/zinc/03/71/20/835037120.db2.gz JHIVADQJINZHCX-RXVVDRJESA-N 2 1 379.504 3.643 20 0 GHADMP Cc1ccccc1[C@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000728195736 835093321 /nfs/dbraw/zinc/09/33/21/835093321.db2.gz NUYNSSNAGFLWQO-QFIPXVFZSA-N 2 1 383.580 3.856 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000143110201 835107623 /nfs/dbraw/zinc/10/76/23/835107623.db2.gz QFHPABIEDQUVBB-HSZRJFAPSA-N 2 1 377.532 3.677 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001208614670 835242042 /nfs/dbraw/zinc/24/20/42/835242042.db2.gz FKJRRNKEPATWIS-UFYCRDLUSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001208614670 835242054 /nfs/dbraw/zinc/24/20/54/835242054.db2.gz FKJRRNKEPATWIS-UFYCRDLUSA-N 2 1 379.589 3.876 20 0 GHADMP C[NH+]1CCC[C@H](C[N@H+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001208614670 835242064 /nfs/dbraw/zinc/24/20/64/835242064.db2.gz FKJRRNKEPATWIS-UFYCRDLUSA-N 2 1 379.589 3.876 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+](CC2CC2)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)C1 ZINC001208614670 835242071 /nfs/dbraw/zinc/24/20/71/835242071.db2.gz FKJRRNKEPATWIS-UFYCRDLUSA-N 2 1 379.589 3.876 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C2CC2)cc1 ZINC000182225153 835263080 /nfs/dbraw/zinc/26/30/80/835263080.db2.gz QDYKJRDLYOPFPE-ISKFKSNPSA-N 2 1 380.532 3.893 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3CC(CF)(CF)C3)cc2)C[C@H]1C ZINC000657936057 835269045 /nfs/dbraw/zinc/26/90/45/835269045.db2.gz DHTMLSFOLRNWPQ-HDICACEKSA-N 2 1 380.523 3.873 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000430236988 835318215 /nfs/dbraw/zinc/31/82/15/835318215.db2.gz IBRZFHPDBYYFMZ-UHFFFAOYSA-N 2 1 389.547 3.670 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309738914 835341231 /nfs/dbraw/zinc/34/12/31/835341231.db2.gz RIEMYZALXWLBPN-QHAWAJNXSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000430242728 835356900 /nfs/dbraw/zinc/35/69/00/835356900.db2.gz SJYXZCAXZUBWRG-DEOSSOPVSA-N 2 1 398.595 3.701 20 0 GHADMP FCC1(CF)CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000658024813 835376462 /nfs/dbraw/zinc/37/64/62/835376462.db2.gz WZHSPXDUIDEFLG-LJQANCHMSA-N 2 1 378.507 3.593 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135355 835445009 /nfs/dbraw/zinc/44/50/09/835445009.db2.gz DHRPLABBJQDPNL-CTNGQTDRSA-N 2 1 386.923 3.910 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136496 835445794 /nfs/dbraw/zinc/44/57/94/835445794.db2.gz HDUUPNRRLXHZOT-UPVQGACJSA-N 2 1 392.543 3.745 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658142864 835452875 /nfs/dbraw/zinc/45/28/75/835452875.db2.gz ZMAHFTMQAGXVRT-VJBWXMMDSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658137453 835463153 /nfs/dbraw/zinc/46/31/53/835463153.db2.gz KVTJEPHSHJRUFG-FOIQADDNSA-N 2 1 376.903 3.767 20 0 GHADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658166130 835482108 /nfs/dbraw/zinc/48/21/08/835482108.db2.gz MTAQLHLMVXDDJO-PXDATVDWSA-N 3 1 392.591 3.794 20 0 GHADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000658166130 835482115 /nfs/dbraw/zinc/48/21/15/835482115.db2.gz MTAQLHLMVXDDJO-PXDATVDWSA-N 2 1 392.591 3.794 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433372480 844058463 /nfs/dbraw/zinc/05/84/63/844058463.db2.gz DSQOTTSJAQNKCP-VYVQKFEUSA-N 2 1 393.575 3.952 20 0 GHADMP Brc1ccc(CC2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000658210399 835511205 /nfs/dbraw/zinc/51/12/05/835511205.db2.gz XIDAAOWBTXNAMD-IBGZPJMESA-N 2 1 393.369 3.615 20 0 GHADMP Clc1ccccc1-c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)no1 ZINC000419193391 844061769 /nfs/dbraw/zinc/06/17/69/844061769.db2.gz QSBRNCFBBPRFMR-UHFFFAOYSA-N 2 1 389.927 3.929 20 0 GHADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)[C@@]1(O)CCCOC1 ZINC000658317199 835570702 /nfs/dbraw/zinc/57/07/02/835570702.db2.gz VRRKUZQFUVZQOW-JVNMPXIPSA-N 2 1 386.580 3.587 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC1 ZINC000154458908 835682855 /nfs/dbraw/zinc/68/28/55/835682855.db2.gz FMIHXCQMDCUPFG-HNNXBMFYSA-N 2 1 386.353 3.657 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278673361 835760664 /nfs/dbraw/zinc/76/06/64/835760664.db2.gz UCUXIXXZIQABME-OALUTQOASA-N 2 1 375.557 3.618 20 0 GHADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278673361 835760667 /nfs/dbraw/zinc/76/06/67/835760667.db2.gz UCUXIXXZIQABME-OALUTQOASA-N 2 1 375.557 3.618 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000473274097 844130025 /nfs/dbraw/zinc/13/00/25/844130025.db2.gz SFNNNMLRPNODET-ADGBJGEGSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000473274097 844130031 /nfs/dbraw/zinc/13/00/31/844130031.db2.gz SFNNNMLRPNODET-ADGBJGEGSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000473274097 844130036 /nfs/dbraw/zinc/13/00/36/844130036.db2.gz SFNNNMLRPNODET-ADGBJGEGSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000177291252 836263196 /nfs/dbraw/zinc/26/31/96/836263196.db2.gz PVYYOIXBDGNDDX-FQEVSTJZSA-N 2 1 387.568 3.540 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000613427847 836372067 /nfs/dbraw/zinc/37/20/67/836372067.db2.gz PSMGIMQJPAMTSV-JOCHJYFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000613427847 836372075 /nfs/dbraw/zinc/37/20/75/836372075.db2.gz PSMGIMQJPAMTSV-JOCHJYFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000613427847 836372083 /nfs/dbraw/zinc/37/20/83/836372083.db2.gz PSMGIMQJPAMTSV-JOCHJYFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccsc2)CC1 ZINC000613427847 836372091 /nfs/dbraw/zinc/37/20/91/836372091.db2.gz PSMGIMQJPAMTSV-JOCHJYFZSA-N 2 1 397.588 3.928 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483551 844156388 /nfs/dbraw/zinc/15/63/88/844156388.db2.gz HNEODEJGNDCHTA-REWPJTCUSA-N 2 1 379.548 3.523 20 0 GHADMP CCC(=O)N1CCCN(C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167122241 836417315 /nfs/dbraw/zinc/41/73/15/836417315.db2.gz DIQGPVYVFYOUGG-XMMPIXPASA-N 2 1 393.575 3.847 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000471272175 836698864 /nfs/dbraw/zinc/69/88/64/836698864.db2.gz HXRZSZYHVHPHRQ-QHCPKHFHSA-N 2 1 391.559 3.924 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414264524 836799278 /nfs/dbraw/zinc/79/92/78/836799278.db2.gz KODUEMLQCUBEON-KJXAQDMKSA-N 2 1 384.568 3.522 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000414264524 836799282 /nfs/dbraw/zinc/79/92/82/836799282.db2.gz KODUEMLQCUBEON-KJXAQDMKSA-N 2 1 384.568 3.522 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000175391137 836812907 /nfs/dbraw/zinc/81/29/07/836812907.db2.gz DMNVGUUZHQIIAJ-CVDCTZTESA-N 2 1 394.563 3.601 20 0 GHADMP Brc1cccc(OCCSCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000247149021 836942719 /nfs/dbraw/zinc/94/27/19/836942719.db2.gz XHXMBVKECTZCRK-IRXDYDNUSA-N 2 1 399.398 3.778 20 0 GHADMP Brc1cccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000414356092 837347762 /nfs/dbraw/zinc/34/77/62/837347762.db2.gz YJSHIWNFMRNOBC-PMACEKPBSA-N 2 1 392.385 3.630 20 0 GHADMP c1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000030907147 837349029 /nfs/dbraw/zinc/34/90/29/837349029.db2.gz UBWJHEVFRRVXST-FQEVSTJZSA-N 2 1 387.531 3.567 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000644190345 837351607 /nfs/dbraw/zinc/35/16/07/837351607.db2.gz XYBLSRHTCNHVHW-ACIOBRDBSA-N 2 1 392.547 3.876 20 0 GHADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCC2 ZINC000423523221 837958540 /nfs/dbraw/zinc/95/85/40/837958540.db2.gz VQDISEDLRUWZLW-AFMYVXGZSA-N 2 1 392.385 3.633 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000047791917 837960620 /nfs/dbraw/zinc/96/06/20/837960620.db2.gz HTCIWVFJPBMKQC-NRFANRHFSA-N 2 1 398.551 3.614 20 0 GHADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000659865927 837965398 /nfs/dbraw/zinc/96/53/98/837965398.db2.gz RLCCSNFDEBCHEI-MOPGFXCFSA-N 2 1 380.527 3.597 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000047791952 837968105 /nfs/dbraw/zinc/96/81/05/837968105.db2.gz HWUOGQHFRKLSAH-NQIIRXRSSA-N 2 1 398.551 3.614 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000047791952 837968113 /nfs/dbraw/zinc/96/81/13/837968113.db2.gz HWUOGQHFRKLSAH-NQIIRXRSSA-N 2 1 398.551 3.614 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000659245989 838000738 /nfs/dbraw/zinc/00/07/38/838000738.db2.gz FFPPQCKBWPYFBF-WTNAPCKOSA-N 2 1 377.532 3.631 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000121418633 838014308 /nfs/dbraw/zinc/01/43/08/838014308.db2.gz WYZCVOAEKGXRHO-UONOGXRCSA-N 2 1 393.329 3.597 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(C(C)(C)C)on3)CC2)CC1 ZINC000377847515 838047214 /nfs/dbraw/zinc/04/72/14/838047214.db2.gz NJDDLPYQAKMXOG-UHFFFAOYSA-N 2 1 376.589 3.600 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(C(C)(C)C)on3)CC2)CC1 ZINC000377847515 838047226 /nfs/dbraw/zinc/04/72/26/838047226.db2.gz NJDDLPYQAKMXOG-UHFFFAOYSA-N 2 1 376.589 3.600 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659285337 838210520 /nfs/dbraw/zinc/21/05/20/838210520.db2.gz MKMVVGNTFRHPJH-NZQKXSOJSA-N 2 1 377.532 3.592 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000415912283 838267784 /nfs/dbraw/zinc/26/77/84/838267784.db2.gz LFABPFBAOSZFON-GHTZIAJQSA-N 2 1 380.536 3.923 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415943828 838297667 /nfs/dbraw/zinc/29/76/67/838297667.db2.gz NIHYTLKHTFIZEI-RXVVDRJESA-N 2 1 380.536 3.828 20 0 GHADMP C[N@@H+](CCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000415977129 838342690 /nfs/dbraw/zinc/34/26/90/838342690.db2.gz WEXGCGASUXDLET-UHFFFAOYSA-N 2 1 394.441 3.808 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000415974871 838351942 /nfs/dbraw/zinc/35/19/42/838351942.db2.gz RVYCFIIQRVLRIZ-XMSQKQJNSA-N 2 1 380.536 3.923 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415984345 838361413 /nfs/dbraw/zinc/36/14/13/838361413.db2.gz PENRICIVFRGTHZ-GHTZIAJQSA-N 2 1 380.536 3.828 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000415996406 838373833 /nfs/dbraw/zinc/37/38/33/838373833.db2.gz MRNLTBCRLVSPKI-NZQKXSOJSA-N 2 1 390.531 3.808 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000275687272 838419949 /nfs/dbraw/zinc/41/99/49/838419949.db2.gz QWRJFUAVNOEJTE-UGKGYDQZSA-N 2 1 394.563 3.965 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCCCCC1 ZINC000535713729 844332168 /nfs/dbraw/zinc/33/21/68/844332168.db2.gz QHXMJTAPXYHCMW-OXFYSEKESA-N 2 1 395.950 3.853 20 0 GHADMP C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275729238 838589362 /nfs/dbraw/zinc/58/93/62/838589362.db2.gz XAJSKPFGGBZDHT-SIKLNZKXSA-N 2 1 394.563 3.823 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCc3ccccc3C2)c1 ZINC000416162724 838649993 /nfs/dbraw/zinc/64/99/93/838649993.db2.gz VXXHCIOBXYEJTR-UHFFFAOYSA-N 2 1 379.548 3.591 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000416162724 838650000 /nfs/dbraw/zinc/65/00/00/838650000.db2.gz VXXHCIOBXYEJTR-UHFFFAOYSA-N 2 1 379.548 3.591 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)CC[N@H+]2CCc3ccccc3C2)c1 ZINC000416162724 838650007 /nfs/dbraw/zinc/65/00/07/838650007.db2.gz VXXHCIOBXYEJTR-UHFFFAOYSA-N 2 1 379.548 3.591 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000416158670 838652006 /nfs/dbraw/zinc/65/20/06/838652006.db2.gz TZLHYVGFKWIGML-CVDCTZTESA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000416158670 838652010 /nfs/dbraw/zinc/65/20/10/838652010.db2.gz TZLHYVGFKWIGML-CVDCTZTESA-N 2 1 397.588 3.696 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)CC[N@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000416158670 838652015 /nfs/dbraw/zinc/65/20/15/838652015.db2.gz TZLHYVGFKWIGML-CVDCTZTESA-N 2 1 397.588 3.696 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)CC[N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000416183296 838677425 /nfs/dbraw/zinc/67/74/25/838677425.db2.gz XVXBOCOGMAPAPV-UHFFFAOYSA-N 2 1 383.580 3.594 20 0 GHADMP CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)(C)C[NH+]1CCCC1 ZINC000416331375 838973564 /nfs/dbraw/zinc/97/35/64/838973564.db2.gz BPANTLMEIBNBJX-LJQANCHMSA-N 2 1 386.584 3.826 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000893224969 839036782 /nfs/dbraw/zinc/03/67/82/839036782.db2.gz GYECEMAVXZCMAH-HZEGPAAWSA-N 2 1 376.516 3.510 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000415015814 839063697 /nfs/dbraw/zinc/06/36/97/839063697.db2.gz NFYGMSPDACQZPU-ZIAGYGMSSA-N 2 1 393.325 3.862 20 0 GHADMP Brc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415034394 839096150 /nfs/dbraw/zinc/09/61/50/839096150.db2.gz HXNVOVHWXCXTPP-HNNXBMFYSA-N 2 1 381.339 3.646 20 0 GHADMP Brc1ccc(-n2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415041100 839105246 /nfs/dbraw/zinc/10/52/46/839105246.db2.gz KWCYMUQQVCEBGW-VQIMIIECSA-N 2 1 389.341 3.599 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cn2)cc1 ZINC000415041100 839105257 /nfs/dbraw/zinc/10/52/57/839105257.db2.gz KWCYMUQQVCEBGW-VQIMIIECSA-N 2 1 389.341 3.599 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000549164820 839121947 /nfs/dbraw/zinc/12/19/47/839121947.db2.gz HVGUOAASDLHZBU-INIZCTEOSA-N 2 1 376.438 3.794 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000549164820 839121949 /nfs/dbraw/zinc/12/19/49/839121949.db2.gz HVGUOAASDLHZBU-INIZCTEOSA-N 2 1 376.438 3.794 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000415100038 839204255 /nfs/dbraw/zinc/20/42/55/839204255.db2.gz ABMWWAGNMNIIFN-IRXDYDNUSA-N 2 1 387.749 3.821 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000377267267 839211016 /nfs/dbraw/zinc/21/10/16/839211016.db2.gz OKSJIKFADJPFGR-UHFFFAOYSA-N 2 1 396.579 3.970 20 0 GHADMP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000549235964 839440360 /nfs/dbraw/zinc/44/03/60/839440360.db2.gz SQFJAHZOOZMMFN-PXWCZTGZSA-N 2 1 399.000 3.667 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1F ZINC000535777498 844437054 /nfs/dbraw/zinc/43/70/54/844437054.db2.gz LKVZTYMDXWNITE-CRAIPNDOSA-N 2 1 377.529 3.535 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C(F)(F)F)c1 ZINC000510326731 839508893 /nfs/dbraw/zinc/50/88/93/839508893.db2.gz YEEZWLHZKHOBEE-OTWHNJEPSA-N 2 1 397.485 3.831 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C(F)(F)F)c1 ZINC000510326731 839508903 /nfs/dbraw/zinc/50/89/03/839508903.db2.gz YEEZWLHZKHOBEE-OTWHNJEPSA-N 2 1 397.485 3.831 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000125738253 839649756 /nfs/dbraw/zinc/64/97/56/839649756.db2.gz BYYSQZMOLQYDNW-HOTGVXAUSA-N 2 1 396.373 3.876 20 0 GHADMP Clc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000893010251 839907557 /nfs/dbraw/zinc/90/75/57/839907557.db2.gz HXZQRQVYXHYBMA-ZDUSSCGKSA-N 2 1 387.749 3.693 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000418461283 840263768 /nfs/dbraw/zinc/26/37/68/840263768.db2.gz LMHJJXFAHLGPCH-SFYKDHMMSA-N 2 1 394.563 3.901 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829280 840299331 /nfs/dbraw/zinc/29/93/31/840299331.db2.gz HHYHSCDPLUNARE-JTHBVZDNSA-N 2 1 390.527 3.691 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000416970579 840327372 /nfs/dbraw/zinc/32/73/72/840327372.db2.gz FHEJWRBLRWOKFE-GCJKJVERSA-N 2 1 380.536 3.560 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)[NH+](CC)CC)cc1 ZINC000580851719 840330856 /nfs/dbraw/zinc/33/08/56/840330856.db2.gz IWYOQCSMYRHVDE-JOCHJYFZSA-N 2 1 398.551 3.646 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC(c4ccc(F)cc4)C3)c2)C1 ZINC000127513243 840421955 /nfs/dbraw/zinc/42/19/55/840421955.db2.gz FWJUFIAVIQWGAT-ZJOBEGKPSA-N 2 1 395.522 3.559 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920889 840434424 /nfs/dbraw/zinc/43/44/24/840434424.db2.gz RISKWBISRZPTRH-FGZHOGPDSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920889 840434429 /nfs/dbraw/zinc/43/44/29/840434429.db2.gz RISKWBISRZPTRH-FGZHOGPDSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000580920889 840434435 /nfs/dbraw/zinc/43/44/35/840434435.db2.gz RISKWBISRZPTRH-FGZHOGPDSA-N 2 1 388.515 3.733 20 0 GHADMP O=C1Nc2ccccc2S[C@H]1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000660448909 840455521 /nfs/dbraw/zinc/45/55/21/840455521.db2.gz QQYBRDCZZLWTOK-JQVVWYNYSA-N 2 1 393.556 3.553 20 0 GHADMP O=C1Nc2ccccc2S[C@H]1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000660448909 840455527 /nfs/dbraw/zinc/45/55/27/840455527.db2.gz QQYBRDCZZLWTOK-JQVVWYNYSA-N 2 1 393.556 3.553 20 0 GHADMP O=C1Nc2ccccc2S[C@H]1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000660448909 840455533 /nfs/dbraw/zinc/45/55/33/840455533.db2.gz QQYBRDCZZLWTOK-JQVVWYNYSA-N 2 1 393.556 3.553 20 0 GHADMP CCN(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418552459 840470137 /nfs/dbraw/zinc/47/01/37/840470137.db2.gz KYSLMFPNMYIEHU-MBSDFSHPSA-N 2 1 392.547 3.657 20 0 GHADMP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466931399 840679725 /nfs/dbraw/zinc/67/97/25/840679725.db2.gz USGGKQWGSZSGQK-UHFFFAOYSA-N 2 1 375.538 3.788 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000584746416 840752695 /nfs/dbraw/zinc/75/26/95/840752695.db2.gz HCGNHVLGCTUMEN-OAHLLOKOSA-N 2 1 397.357 3.630 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581130458 840765644 /nfs/dbraw/zinc/76/56/44/840765644.db2.gz RUDMXWQEVPNKFI-MTRXVTSTSA-N 2 1 393.934 3.651 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581130458 840765648 /nfs/dbraw/zinc/76/56/48/840765648.db2.gz RUDMXWQEVPNKFI-MTRXVTSTSA-N 2 1 393.934 3.651 20 0 GHADMP COc1cc(C)nc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000581277988 841001792 /nfs/dbraw/zinc/00/17/92/841001792.db2.gz MBBTXPYZQGONOI-UHFFFAOYSA-N 2 1 398.551 3.515 20 0 GHADMP COc1cc(C)nc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000581277988 841001798 /nfs/dbraw/zinc/00/17/98/841001798.db2.gz MBBTXPYZQGONOI-UHFFFAOYSA-N 2 1 398.551 3.515 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C2 ZINC000660656332 841068458 /nfs/dbraw/zinc/06/84/58/841068458.db2.gz LIGOIDXLNDMNHM-XZOQPEGZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C2 ZINC000660656332 841068464 /nfs/dbraw/zinc/06/84/64/841068464.db2.gz LIGOIDXLNDMNHM-XZOQPEGZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C2 ZINC000660656332 841068473 /nfs/dbraw/zinc/06/84/73/841068473.db2.gz LIGOIDXLNDMNHM-XZOQPEGZSA-N 2 1 397.588 3.762 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660675699 841089515 /nfs/dbraw/zinc/08/95/15/841089515.db2.gz KWPSKLBEWLGURZ-CTNGQTDRSA-N 2 1 398.595 3.633 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000621922205 841352597 /nfs/dbraw/zinc/35/25/97/841352597.db2.gz RDWWDINWZZBNHZ-WWMYMODYSA-N 2 1 385.939 3.770 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000581517172 841576964 /nfs/dbraw/zinc/57/69/64/841576964.db2.gz RTEXOCLUQGGHJK-DUXKGJEZSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000581517172 841576969 /nfs/dbraw/zinc/57/69/69/841576969.db2.gz RTEXOCLUQGGHJK-DUXKGJEZSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000581517172 841576976 /nfs/dbraw/zinc/57/69/76/841576976.db2.gz RTEXOCLUQGGHJK-DUXKGJEZSA-N 2 1 390.568 3.540 20 0 GHADMP COc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000581517172 841576985 /nfs/dbraw/zinc/57/69/85/841576985.db2.gz RTEXOCLUQGGHJK-DUXKGJEZSA-N 2 1 390.568 3.540 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418239402 841679457 /nfs/dbraw/zinc/67/94/57/841679457.db2.gz OVKQOYZEGMMZIG-KNQAVFIVSA-N 2 1 394.563 3.808 20 0 GHADMP CSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000500243741 841716085 /nfs/dbraw/zinc/71/60/85/841716085.db2.gz FYVOLPIZAQLLTB-WFXMLNOXSA-N 2 1 397.588 3.838 20 0 GHADMP Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001167473970 841792185 /nfs/dbraw/zinc/79/21/85/841792185.db2.gz ODLJFMGHMSILJS-RTWAWAEBSA-N 2 1 383.536 3.924 20 0 GHADMP CC1(C)C[N@@H+](CC2(O)CCSCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000656700513 841824765 /nfs/dbraw/zinc/82/47/65/841824765.db2.gz PNAFUILPWRTSSE-NRFANRHFSA-N 2 1 388.621 3.867 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001167825173 842038138 /nfs/dbraw/zinc/03/81/38/842038138.db2.gz GRQUPJJZEYVRBT-MRXNPFEDSA-N 2 1 387.494 3.518 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC000684410391 842125567 /nfs/dbraw/zinc/12/55/67/842125567.db2.gz UVOCNQAOZXMGPX-XMMPIXPASA-N 3 1 393.575 3.773 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](CNCc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC000684410391 842125568 /nfs/dbraw/zinc/12/55/68/842125568.db2.gz UVOCNQAOZXMGPX-XMMPIXPASA-N 2 1 393.575 3.773 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](CNCc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC000684410391 842125575 /nfs/dbraw/zinc/12/55/75/842125575.db2.gz UVOCNQAOZXMGPX-XMMPIXPASA-N 2 1 393.575 3.773 20 0 GHADMP c1ccc(CN2CC[C@H](C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC000684410391 842125581 /nfs/dbraw/zinc/12/55/81/842125581.db2.gz UVOCNQAOZXMGPX-XMMPIXPASA-N 2 1 393.575 3.773 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000512014355 842134957 /nfs/dbraw/zinc/13/49/57/842134957.db2.gz FLZPSUZZOACAFL-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000512014355 842134962 /nfs/dbraw/zinc/13/49/62/842134962.db2.gz FLZPSUZZOACAFL-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000512014355 842134967 /nfs/dbraw/zinc/13/49/67/842134967.db2.gz FLZPSUZZOACAFL-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(C[NH3+])cc2F)CC1)CC(C)C ZINC000652275577 842137476 /nfs/dbraw/zinc/13/74/76/842137476.db2.gz RIHRSXGGUXKHDR-UHFFFAOYSA-N 2 1 392.563 3.574 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CCCO1 ZINC000432448282 842238573 /nfs/dbraw/zinc/23/85/73/842238573.db2.gz SEKFZISHBARYFL-KXBFYZLASA-N 2 1 381.358 3.917 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000661859477 842241637 /nfs/dbraw/zinc/24/16/37/842241637.db2.gz YGDFCGXXPQJFRW-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661859477 842241645 /nfs/dbraw/zinc/24/16/45/842241645.db2.gz YGDFCGXXPQJFRW-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661859477 842241652 /nfs/dbraw/zinc/24/16/52/842241652.db2.gz YGDFCGXXPQJFRW-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000511907709 842359317 /nfs/dbraw/zinc/35/93/17/842359317.db2.gz YVOXBGSMHJTLFM-YADHBBJMSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000511907709 842359330 /nfs/dbraw/zinc/35/93/30/842359330.db2.gz YVOXBGSMHJTLFM-YADHBBJMSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000511907709 842359344 /nfs/dbraw/zinc/35/93/44/842359344.db2.gz YVOXBGSMHJTLFM-YADHBBJMSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cc(Cl)ccc2Br)s1 ZINC000512081882 842434431 /nfs/dbraw/zinc/43/44/31/842434431.db2.gz FQXVFFBLEFHVJR-UHFFFAOYSA-N 2 1 388.762 3.953 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CCCC1)c1ccccc1 ZINC000085404746 842719920 /nfs/dbraw/zinc/71/99/20/842719920.db2.gz KUUMQIZSAXKSKD-DYXWJJEUSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180576 842793614 /nfs/dbraw/zinc/79/36/14/842793614.db2.gz ONHVCMKSXJHVSU-QZTJIDSGSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180576 842793622 /nfs/dbraw/zinc/79/36/22/842793622.db2.gz ONHVCMKSXJHVSU-QZTJIDSGSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180576 842793634 /nfs/dbraw/zinc/79/36/34/842793634.db2.gz ONHVCMKSXJHVSU-QZTJIDSGSA-N 2 1 396.535 3.892 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000512180576 842793644 /nfs/dbraw/zinc/79/36/44/842793644.db2.gz ONHVCMKSXJHVSU-QZTJIDSGSA-N 2 1 396.535 3.892 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1Cl ZINC000510505595 842873218 /nfs/dbraw/zinc/87/32/18/842873218.db2.gz YMKGDIDCYRJURM-JXFKEZNVSA-N 2 1 392.975 3.673 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000471862656 842978846 /nfs/dbraw/zinc/97/88/46/842978846.db2.gz LTIXPRPQNVIDAX-RBUKOAKNSA-N 2 1 382.533 3.970 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000471862656 842978851 /nfs/dbraw/zinc/97/88/51/842978851.db2.gz LTIXPRPQNVIDAX-RBUKOAKNSA-N 2 1 382.533 3.970 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291251 843081657 /nfs/dbraw/zinc/08/16/57/843081657.db2.gz QKONZRWOHOACLQ-NVXWUHKLSA-N 2 1 393.959 3.696 20 0 GHADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)c1cccs1 ZINC000662291530 843083520 /nfs/dbraw/zinc/08/35/20/843083520.db2.gz HQWGLLAEXYYAJF-YLJYHZDGSA-N 2 1 377.598 3.663 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000178535154 861381650 /nfs/dbraw/zinc/38/16/50/861381650.db2.gz ZXZBFLPOXGRFOV-DNQXCXABSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000178535154 861381657 /nfs/dbraw/zinc/38/16/57/861381657.db2.gz ZXZBFLPOXGRFOV-DNQXCXABSA-N 2 1 391.559 3.875 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000178535154 861381671 /nfs/dbraw/zinc/38/16/71/861381671.db2.gz ZXZBFLPOXGRFOV-DNQXCXABSA-N 2 1 391.559 3.875 20 0 GHADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662342726 843151311 /nfs/dbraw/zinc/15/13/11/843151311.db2.gz JTMPTSOKJSIVLF-KRWDZBQOSA-N 2 1 389.952 3.614 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000662389654 843176796 /nfs/dbraw/zinc/17/67/96/843176796.db2.gz YTXLZZJHDLODSA-MBSDFSHPSA-N 2 1 377.532 3.769 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662388210 843183895 /nfs/dbraw/zinc/18/38/95/843183895.db2.gz KKIYNPKCOCMKLG-INIZCTEOSA-N 2 1 383.561 3.556 20 0 GHADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000430928251 843185771 /nfs/dbraw/zinc/18/57/71/843185771.db2.gz KYAAAYCDFYMLCQ-JTQLQIEISA-N 2 1 397.363 3.722 20 0 GHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247204 843209740 /nfs/dbraw/zinc/20/97/40/843209740.db2.gz YXMUXWZUDOHTJW-XMMPIXPASA-N 2 1 383.580 3.671 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247204 843209749 /nfs/dbraw/zinc/20/97/49/843209749.db2.gz YXMUXWZUDOHTJW-XMMPIXPASA-N 2 1 383.580 3.671 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247204 843209761 /nfs/dbraw/zinc/20/97/61/843209761.db2.gz YXMUXWZUDOHTJW-XMMPIXPASA-N 2 1 383.580 3.671 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178707901 861399189 /nfs/dbraw/zinc/39/91/89/861399189.db2.gz VYEMVYNRXVDJQY-IAGOWNOFSA-N 2 1 389.565 3.895 20 0 GHADMP CCN(C(=O)c1cc2c(s1)CC[NH2+]C2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662502171 843354728 /nfs/dbraw/zinc/35/47/28/843354728.db2.gz IQHLVAKEDMNFHB-APWZRJJASA-N 2 1 383.561 3.691 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NC1CCCCCC1 ZINC000432660492 843369676 /nfs/dbraw/zinc/36/96/76/843369676.db2.gz USMAMFSPWRECRJ-LJQANCHMSA-N 2 1 375.582 3.531 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NC1CCCCCC1 ZINC000432660492 843369682 /nfs/dbraw/zinc/36/96/82/843369682.db2.gz USMAMFSPWRECRJ-LJQANCHMSA-N 2 1 375.582 3.531 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000662514787 843370233 /nfs/dbraw/zinc/37/02/33/843370233.db2.gz RCJKOCLJKCLDLF-XJUOHMSHSA-N 2 1 399.485 3.839 20 0 GHADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000431017982 843433228 /nfs/dbraw/zinc/43/32/28/843433228.db2.gz TYUPTFPRGOJLFG-UHFFFAOYSA-N 2 1 381.545 3.852 20 0 GHADMP CCN(C(=O)c1cccc2c1CC[NH2+]C2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662694524 843523983 /nfs/dbraw/zinc/52/39/83/843523983.db2.gz RRSNCXKBKGLELZ-NQIIRXRSSA-N 2 1 377.532 3.630 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000663469973 843679414 /nfs/dbraw/zinc/67/94/14/843679414.db2.gz SFIIGAXCXPTPPD-QUCCMNQESA-N 2 1 382.552 3.772 20 0 GHADMP c1ccc(CCCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512409296 843717588 /nfs/dbraw/zinc/71/75/88/843717588.db2.gz NBUPNZJQFCLGIA-RUZDIDTESA-N 2 1 377.576 3.901 20 0 GHADMP C[C@H](CCc1ccccc1)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512411306 843722880 /nfs/dbraw/zinc/72/28/80/843722880.db2.gz XJOSNPWCIQGVTA-RDGATRHJSA-N 2 1 377.576 3.900 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](C3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000512412755 843725043 /nfs/dbraw/zinc/72/50/43/843725043.db2.gz RBRSHHFERZIOBZ-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000500670570 843802029 /nfs/dbraw/zinc/80/20/29/843802029.db2.gz WFEPPZSMWLZJMX-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000500670570 843802041 /nfs/dbraw/zinc/80/20/41/843802041.db2.gz WFEPPZSMWLZJMX-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000500670570 843802052 /nfs/dbraw/zinc/80/20/52/843802052.db2.gz WFEPPZSMWLZJMX-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP CN(Cc1cccs1)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433194065 843809479 /nfs/dbraw/zinc/80/94/79/843809479.db2.gz UMEVGUHZSKJPPE-UHFFFAOYSA-N 2 1 397.588 3.695 20 0 GHADMP CCOc1c(Br)cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000391447042 843861251 /nfs/dbraw/zinc/86/12/51/843861251.db2.gz CEKYUGXWJVZETH-LSDHHAIUSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000391447042 843861259 /nfs/dbraw/zinc/86/12/59/843861259.db2.gz CEKYUGXWJVZETH-LSDHHAIUSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000391447042 843861268 /nfs/dbraw/zinc/86/12/68/843861268.db2.gz CEKYUGXWJVZETH-LSDHHAIUSA-N 2 1 383.330 3.573 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccs1 ZINC000512626571 844804427 /nfs/dbraw/zinc/80/44/27/844804427.db2.gz VJMWFCBEYJMCJK-PCCBWWKXSA-N 2 1 397.588 3.758 20 0 GHADMP CN(CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512635143 844843865 /nfs/dbraw/zinc/84/38/65/844843865.db2.gz GCJRVEVZKZGWOR-SLFFLAALSA-N 2 1 383.502 3.761 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512659796 844940436 /nfs/dbraw/zinc/94/04/36/844940436.db2.gz JURRKNMBPIZSGB-TZRRMPRUSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H](NC(=O)N(CC[NH+](C)C)CC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512704106 845099632 /nfs/dbraw/zinc/09/96/32/845099632.db2.gz WVZWDJRZMXITKN-CTNGQTDRSA-N 2 1 392.632 3.793 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713207 845152135 /nfs/dbraw/zinc/15/21/35/845152135.db2.gz XWJCNHQVVDLIQN-XWUOBKMESA-N 2 1 392.632 3.839 20 0 GHADMP CCC(CC)(C[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000236655686 845161350 /nfs/dbraw/zinc/16/13/50/845161350.db2.gz MBMZXOROCRFNGF-UHFFFAOYSA-N 2 1 386.367 3.839 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@@H](C)C1 ZINC000248132849 845245059 /nfs/dbraw/zinc/24/50/59/845245059.db2.gz OSBPLFIOLHIOEM-ZITZPLIHSA-N 2 1 399.579 3.546 20 0 GHADMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433118551 845375232 /nfs/dbraw/zinc/37/52/32/845375232.db2.gz XLXRXASXPZPADF-OAQYLSRUSA-N 2 1 383.580 3.622 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000179390601 861560873 /nfs/dbraw/zinc/56/08/73/861560873.db2.gz APCOUGIEVBUAAE-UHFFFAOYSA-N 2 1 385.483 3.746 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000047883929 845444152 /nfs/dbraw/zinc/44/41/52/845444152.db2.gz UMKQWGVHSICFDK-LJQANCHMSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000513506106 845543810 /nfs/dbraw/zinc/54/38/10/845543810.db2.gz OCOVPOZXFIBGNF-SIKLNZKXSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000419258144 845571158 /nfs/dbraw/zinc/57/11/58/845571158.db2.gz BBFXNYUMWDBHBR-MSOLQXFVSA-N 2 1 383.580 3.738 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC001167505847 845634311 /nfs/dbraw/zinc/63/43/11/845634311.db2.gz WOOSYAYMSVSODM-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC001167505847 845634314 /nfs/dbraw/zinc/63/43/14/845634314.db2.gz WOOSYAYMSVSODM-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001167505847 845634317 /nfs/dbraw/zinc/63/43/17/845634317.db2.gz WOOSYAYMSVSODM-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)cc(F)c1 ZINC000156927004 845761203 /nfs/dbraw/zinc/76/12/03/845761203.db2.gz UBXYEPNEUSATFN-QAPCUYQASA-N 2 1 387.474 3.513 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000472089971 845787623 /nfs/dbraw/zinc/78/76/23/845787623.db2.gz IZZXDFWSIDBBFZ-ICSRJNTNSA-N 2 1 394.629 3.894 20 0 GHADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1 ZINC000502547646 846187560 /nfs/dbraw/zinc/18/75/60/846187560.db2.gz WFYLPRDABNXKNI-OFNKIYASSA-N 2 1 396.575 3.636 20 0 GHADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)c3ccccc3)cc2)C1 ZINC000502547646 846187566 /nfs/dbraw/zinc/18/75/66/846187566.db2.gz WFYLPRDABNXKNI-OFNKIYASSA-N 2 1 396.575 3.636 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000119782797 846250602 /nfs/dbraw/zinc/25/06/02/846250602.db2.gz VOFFXQSIQZYBQI-FQEVSTJZSA-N 2 1 378.520 3.653 20 0 GHADMP COCCOCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582094292 846304319 /nfs/dbraw/zinc/30/43/19/846304319.db2.gz DRWMRCCIJVXZDM-JWQCQUIFSA-N 2 1 394.559 3.804 20 0 GHADMP COCCOCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582094292 846304327 /nfs/dbraw/zinc/30/43/27/846304327.db2.gz DRWMRCCIJVXZDM-JWQCQUIFSA-N 2 1 394.559 3.804 20 0 GHADMP COCCOCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000582094292 846304333 /nfs/dbraw/zinc/30/43/33/846304333.db2.gz DRWMRCCIJVXZDM-JWQCQUIFSA-N 2 1 394.559 3.804 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000673767210 861678791 /nfs/dbraw/zinc/67/87/91/861678791.db2.gz DEFMSBIQWPDDMQ-REWPJTCUSA-N 2 1 394.563 3.595 20 0 GHADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045867 846570940 /nfs/dbraw/zinc/57/09/40/846570940.db2.gz NYQTZXGEIVJTPE-FQEVSTJZSA-N 2 1 394.563 3.667 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)c(F)c1 ZINC000421817291 846616550 /nfs/dbraw/zinc/61/65/50/846616550.db2.gz SVCFEWCJLQZERD-HSZRJFAPSA-N 2 1 384.495 3.907 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C(C)C)c(F)c1 ZINC000421858652 846625253 /nfs/dbraw/zinc/62/52/53/846625253.db2.gz RSJXNZQIGDGLRE-OAQYLSRUSA-N 2 1 375.488 3.657 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000502948598 846645102 /nfs/dbraw/zinc/64/51/02/846645102.db2.gz CKXMTPJKBLZQTI-WOJBJXKFSA-N 2 1 388.600 3.927 20 0 GHADMP CC[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000502999650 846699958 /nfs/dbraw/zinc/69/99/58/846699958.db2.gz WLOOXVJZPRPIFL-JTHBVZDNSA-N 2 1 379.548 3.667 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000414428485 846831764 /nfs/dbraw/zinc/83/17/64/846831764.db2.gz BHNQPRHJVIBANE-FQEVSTJZSA-N 2 1 378.495 3.932 20 0 GHADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414428485 846831779 /nfs/dbraw/zinc/83/17/79/846831779.db2.gz BHNQPRHJVIBANE-FQEVSTJZSA-N 2 1 378.495 3.932 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000501490698 846953273 /nfs/dbraw/zinc/95/32/73/846953273.db2.gz KEYPBOGQZFTENR-OALUTQOASA-N 2 1 394.629 3.722 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Br)s2)[C@H](C)C1 ZINC000481576086 861737559 /nfs/dbraw/zinc/73/75/59/861737559.db2.gz RIUBSUDYSUAYBG-ZBFHGGJFSA-N 2 1 389.403 3.780 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000684835851 846977373 /nfs/dbraw/zinc/97/73/73/846977373.db2.gz KHYFRCDSYPZUEP-KOENEWCDSA-N 2 1 383.580 3.810 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c2cccs2)CC1 ZINC000684843335 847035717 /nfs/dbraw/zinc/03/57/17/847035717.db2.gz GXYJCXABXJMQEQ-KRWDZBQOSA-N 2 1 399.482 3.725 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(c1ccccc1)c1ccccc1 ZINC000647900739 847120828 /nfs/dbraw/zinc/12/08/28/847120828.db2.gz FVRRPRCTACKQDP-GOTSBHOMSA-N 2 1 391.559 3.746 20 0 GHADMP C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1=CC[NH+](C)CC1 ZINC000272629313 847129380 /nfs/dbraw/zinc/12/93/80/847129380.db2.gz BEEYBGLDLDJRDT-LJQANCHMSA-N 2 1 377.532 3.699 20 0 GHADMP C[C@@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)C1=CC[N@H+](C)CC1 ZINC000272629313 847129386 /nfs/dbraw/zinc/12/93/86/847129386.db2.gz BEEYBGLDLDJRDT-LJQANCHMSA-N 2 1 377.532 3.699 20 0 GHADMP C[C@@H](NC(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)C1=CC[N@@H+](C)CC1 ZINC000272629313 847129394 /nfs/dbraw/zinc/12/93/94/847129394.db2.gz BEEYBGLDLDJRDT-LJQANCHMSA-N 2 1 377.532 3.699 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000501795684 847196584 /nfs/dbraw/zinc/19/65/84/847196584.db2.gz RCVHZDQEYGYOMK-UHFFFAOYSA-N 2 1 392.975 3.797 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657431800 847260630 /nfs/dbraw/zinc/26/06/30/847260630.db2.gz KBGGRKRXTLEMMS-BHIYHBOVSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657431800 847260638 /nfs/dbraw/zinc/26/06/38/847260638.db2.gz KBGGRKRXTLEMMS-BHIYHBOVSA-N 2 1 392.469 3.829 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000273184558 847268205 /nfs/dbraw/zinc/26/82/05/847268205.db2.gz OUJXPUJSYUVTQD-IBGZPJMESA-N 2 1 395.547 3.550 20 0 GHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501858311 847283216 /nfs/dbraw/zinc/28/32/16/847283216.db2.gz IUJAGVFPYNBYTP-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000422198971 847453472 /nfs/dbraw/zinc/45/34/72/847453472.db2.gz ZSYRGYZSNUEOGB-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000422248190 847492242 /nfs/dbraw/zinc/49/22/42/847492242.db2.gz ZJHHPIDDAUBAEX-UHFFFAOYSA-N 2 1 398.595 3.557 20 0 GHADMP c1[nH]c2ncccc2c1C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420928018 847547840 /nfs/dbraw/zinc/54/78/40/847547840.db2.gz BEIDALQCNOJLQJ-UHFFFAOYSA-N 2 1 390.531 3.775 20 0 GHADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420957291 847577272 /nfs/dbraw/zinc/57/72/72/847577272.db2.gz CJJXGNQIXDARHR-GOUWZUTHSA-N 2 1 386.580 3.670 20 0 GHADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420957291 847577282 /nfs/dbraw/zinc/57/72/82/847577282.db2.gz CJJXGNQIXDARHR-GOUWZUTHSA-N 2 1 386.580 3.670 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000503361090 847640342 /nfs/dbraw/zinc/64/03/42/847640342.db2.gz LGYPAEINDYUCFU-SESVDKBCSA-N 2 1 398.551 3.530 20 0 GHADMP OCC[C@@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421019660 847641951 /nfs/dbraw/zinc/64/19/51/847641951.db2.gz PYBBRLWZAJKWHA-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP OCC[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH+]2CCC[C@H](CCO)CC2)CC1 ZINC000421019660 847641955 /nfs/dbraw/zinc/64/19/55/847641955.db2.gz PYBBRLWZAJKWHA-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP OCC[C@@H]1CCC[N@H+](Cc2ccccc2C[NH+]2CCC[C@H](CCO)CC2)CC1 ZINC000421019660 847641963 /nfs/dbraw/zinc/64/19/63/847641963.db2.gz PYBBRLWZAJKWHA-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000503388650 847646980 /nfs/dbraw/zinc/64/69/80/847646980.db2.gz JDJRFVSLALZCHP-BHIFYINESA-N 2 1 392.632 3.508 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726805 847799657 /nfs/dbraw/zinc/79/96/57/847799657.db2.gz AMWJUUQNTTZCNI-TZRRMPRUSA-N 3 1 385.596 3.698 20 0 GHADMP C[N@H+](Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726805 847799668 /nfs/dbraw/zinc/79/96/68/847799668.db2.gz AMWJUUQNTTZCNI-TZRRMPRUSA-N 2 1 385.596 3.698 20 0 GHADMP C[N@@H+](Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726805 847799679 /nfs/dbraw/zinc/79/96/79/847799679.db2.gz AMWJUUQNTTZCNI-TZRRMPRUSA-N 2 1 385.596 3.698 20 0 GHADMP Fc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)c1 ZINC000422765062 847825159 /nfs/dbraw/zinc/82/51/59/847825159.db2.gz QCGWLRIVOJRHON-HKUYNNGSSA-N 2 1 391.284 3.934 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422901279 847879035 /nfs/dbraw/zinc/87/90/35/847879035.db2.gz RVCDBCXPFWSJHC-ILBGXUMGSA-N 2 1 391.559 3.805 20 0 GHADMP COc1ccc([C@@H](NCc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422896752 847890326 /nfs/dbraw/zinc/89/03/26/847890326.db2.gz AWRNHBVEGUFZJN-JTHBVZDNSA-N 2 1 394.494 3.911 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000657544055 848157851 /nfs/dbraw/zinc/15/78/51/848157851.db2.gz LRQXKJZQROGFIP-HSZRJFAPSA-N 2 1 377.532 3.610 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000657544055 848157858 /nfs/dbraw/zinc/15/78/58/848157858.db2.gz LRQXKJZQROGFIP-HSZRJFAPSA-N 2 1 377.532 3.610 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000582726973 848160563 /nfs/dbraw/zinc/16/05/63/848160563.db2.gz YHSJGTKPWVWFIY-UHFFFAOYSA-N 3 1 383.502 3.991 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000582726973 848160568 /nfs/dbraw/zinc/16/05/68/848160568.db2.gz YHSJGTKPWVWFIY-UHFFFAOYSA-N 3 1 383.502 3.991 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(-c4ccccc4F)s3)cc2)C1 ZINC000657596560 848280883 /nfs/dbraw/zinc/28/08/83/848280883.db2.gz OFDMPEVONPCYCK-SFHVURJKSA-N 2 1 397.519 3.806 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OCC(C)C ZINC000657596020 848291072 /nfs/dbraw/zinc/29/10/72/848291072.db2.gz TZIANTMCROVDRH-QFIPXVFZSA-N 2 1 398.547 3.586 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c2ccccc12 ZINC000657595749 848292066 /nfs/dbraw/zinc/29/20/66/848292066.db2.gz RYAZJFHDZYSBLH-NRFANRHFSA-N 2 1 376.500 3.705 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Br ZINC000657596608 848297817 /nfs/dbraw/zinc/29/78/17/848297817.db2.gz OXOZRYMYJRVHDP-IBGZPJMESA-N 2 1 389.337 3.614 20 0 GHADMP c1ccc(C[NH+]2CCC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000657611721 848326280 /nfs/dbraw/zinc/32/62/80/848326280.db2.gz DUQUHBFEKJPUTF-UHFFFAOYSA-N 3 1 378.564 3.548 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC000657613845 848341701 /nfs/dbraw/zinc/34/17/01/848341701.db2.gz SVFMPXAJEJUMDB-UHFFFAOYSA-N 3 1 392.591 3.590 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000472266388 848456986 /nfs/dbraw/zinc/45/69/86/848456986.db2.gz WNOJIUQRBPNEJZ-FQEVSTJZSA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000472266388 848456995 /nfs/dbraw/zinc/45/69/95/848456995.db2.gz WNOJIUQRBPNEJZ-FQEVSTJZSA-N 2 1 389.565 3.751 20 0 GHADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000600427176 861950728 /nfs/dbraw/zinc/95/07/28/861950728.db2.gz HZTIYBJPLNTTCV-LJQANCHMSA-N 2 1 386.584 3.623 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000600427176 861950733 /nfs/dbraw/zinc/95/07/33/861950733.db2.gz HZTIYBJPLNTTCV-LJQANCHMSA-N 2 1 386.584 3.623 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4c3cccc4Cl)CC2)CC1 ZINC000583100060 849059945 /nfs/dbraw/zinc/05/99/45/849059945.db2.gz HPOPBASGINFMHR-NRFANRHFSA-N 2 1 389.971 3.640 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N(C)Cc3ccccc3C)C2)s1 ZINC000583171865 849243600 /nfs/dbraw/zinc/24/36/00/849243600.db2.gz INQHUUBHDBAUQR-HXUWFJFHSA-N 2 1 399.604 3.777 20 0 GHADMP CC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000583334285 849647540 /nfs/dbraw/zinc/64/75/40/849647540.db2.gz FBZZFNXJOYFUIB-IBGZPJMESA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000472286647 849779366 /nfs/dbraw/zinc/77/93/66/849779366.db2.gz JVNBCJVGIJXJQS-WMZOPIPTSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000472286647 849779377 /nfs/dbraw/zinc/77/93/77/849779377.db2.gz JVNBCJVGIJXJQS-WMZOPIPTSA-N 2 1 390.503 3.678 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCCC[NH2+]Cc3cccnc3)[C@H]3CCC[C@H]32)cc1 ZINC000423180262 849788608 /nfs/dbraw/zinc/78/86/08/849788608.db2.gz AONXGRGLLQJAOX-TZRRMPRUSA-N 2 1 378.564 3.594 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504031475 849857625 /nfs/dbraw/zinc/85/76/25/849857625.db2.gz DPRUPIUUJXFRNE-HSALFYBXSA-N 2 1 381.511 3.772 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000504031475 849857631 /nfs/dbraw/zinc/85/76/31/849857631.db2.gz DPRUPIUUJXFRNE-HSALFYBXSA-N 2 1 381.511 3.772 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583440095 849906157 /nfs/dbraw/zinc/90/61/57/849906157.db2.gz JZGOTGWWXRXKPU-QHCPKHFHSA-N 2 1 391.559 3.718 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000583440095 849906161 /nfs/dbraw/zinc/90/61/61/849906161.db2.gz JZGOTGWWXRXKPU-QHCPKHFHSA-N 2 1 391.559 3.718 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H](C)C1 ZINC000423424076 849906608 /nfs/dbraw/zinc/90/66/08/849906608.db2.gz CJSJEKDCEQDCBV-VDGAXYAQSA-N 2 1 375.557 3.598 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)[C@@H](C)C1 ZINC000423424076 849906617 /nfs/dbraw/zinc/90/66/17/849906617.db2.gz CJSJEKDCEQDCBV-VDGAXYAQSA-N 2 1 375.557 3.598 20 0 GHADMP CCc1ccc([C@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC[NH2+]2)cc1 ZINC000505571747 849915171 /nfs/dbraw/zinc/91/51/71/849915171.db2.gz CSMQBWXLBSIKME-HSZRJFAPSA-N 2 1 377.532 3.632 20 0 GHADMP C[C@@H](NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423474977 849940269 /nfs/dbraw/zinc/94/02/69/849940269.db2.gz PLXPGIMZYBOMMI-UTSGNWPNSA-N 2 1 399.554 3.810 20 0 GHADMP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1Br ZINC000423504841 849946423 /nfs/dbraw/zinc/94/64/23/849946423.db2.gz HJQGALAYUVESAH-RJYAGPCLSA-N 2 1 380.374 3.706 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccccc2I)CC[NH2+]1 ZINC000414748166 849955326 /nfs/dbraw/zinc/95/53/26/849955326.db2.gz WDNVMPYITHSQLM-CPUCHLNUSA-N 2 1 384.305 3.816 20 0 GHADMP [NH3+]C1(CN[C@H]2CCCOc3ccc(F)cc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423572698 849984368 /nfs/dbraw/zinc/98/43/68/849984368.db2.gz OJXIDHWHMPDZKF-NRFANRHFSA-N 2 1 383.511 3.623 20 0 GHADMP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000423754128 850043798 /nfs/dbraw/zinc/04/37/98/850043798.db2.gz YIDGCBIKJVDATD-HNAYVOBHSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000486912460 850228760 /nfs/dbraw/zinc/22/87/60/850228760.db2.gz UPJBIGJQIITCFL-PZJWPPBQSA-N 2 1 379.548 3.779 20 0 GHADMP C[NH+]1CCC(CC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000486922071 850246739 /nfs/dbraw/zinc/24/67/39/850246739.db2.gz DFFMMKGNTWNWNZ-UHFFFAOYSA-N 2 1 389.543 3.633 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000514805556 850312390 /nfs/dbraw/zinc/31/23/90/850312390.db2.gz XZKIPEVOGLVPOU-PBHICJAKSA-N 2 1 397.357 3.773 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000514805556 850312397 /nfs/dbraw/zinc/31/23/97/850312397.db2.gz XZKIPEVOGLVPOU-PBHICJAKSA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000514805556 850312407 /nfs/dbraw/zinc/31/24/07/850312407.db2.gz XZKIPEVOGLVPOU-PBHICJAKSA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@H](C)C1 ZINC000514805556 850312417 /nfs/dbraw/zinc/31/24/17/850312417.db2.gz XZKIPEVOGLVPOU-PBHICJAKSA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000514829707 850334604 /nfs/dbraw/zinc/33/46/04/850334604.db2.gz VVPWMADQCQYCJJ-HXUWFJFHSA-N 2 1 394.991 3.706 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424294397 850338724 /nfs/dbraw/zinc/33/87/24/850338724.db2.gz QCLHCKKIJOJYPC-NZQKXSOJSA-N 2 1 391.559 3.551 20 0 GHADMP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424283709 850353301 /nfs/dbraw/zinc/35/33/01/850353301.db2.gz BOGCZJNTXLAYTI-GFCCVEGCSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1c(Cl)cccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424283709 850353310 /nfs/dbraw/zinc/35/33/10/850353310.db2.gz BOGCZJNTXLAYTI-GFCCVEGCSA-N 2 1 389.849 3.761 20 0 GHADMP Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c2cccs2)cc1 ZINC000424283124 850353377 /nfs/dbraw/zinc/35/33/77/850353377.db2.gz ATBSEQCYPZVLRD-PGRDOPGGSA-N 2 1 397.588 3.726 20 0 GHADMP C[NH+](C)CC1(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCCCC1 ZINC000426485146 850361026 /nfs/dbraw/zinc/36/10/26/850361026.db2.gz MYAPVOBVIBATDK-UHFFFAOYSA-N 2 1 385.596 3.869 20 0 GHADMP [NH3+][C@@H](CCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)CC1CCCCC1 ZINC000424339792 850397392 /nfs/dbraw/zinc/39/73/92/850397392.db2.gz RDKJNNMLGIZKRJ-NRFANRHFSA-N 2 1 398.551 3.799 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514872401 850414805 /nfs/dbraw/zinc/41/48/05/850414805.db2.gz ZIJMMYYPLRPDOC-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514872401 850414812 /nfs/dbraw/zinc/41/48/12/850414812.db2.gz ZIJMMYYPLRPDOC-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514872401 850414822 /nfs/dbraw/zinc/41/48/22/850414822.db2.gz ZIJMMYYPLRPDOC-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000439800773 850421044 /nfs/dbraw/zinc/42/10/44/850421044.db2.gz LELLFVJZBYLNDK-GOSISDBHSA-N 2 1 376.520 3.583 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cnn(Cc3ccc(C(F)(F)F)cc3)c1)CC[NH2+]CC2 ZINC000424387596 850425765 /nfs/dbraw/zinc/42/57/65/850425765.db2.gz YPEHPPHNNRXRRO-MRXNPFEDSA-N 2 1 392.469 3.914 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000424438582 850450063 /nfs/dbraw/zinc/45/00/63/850450063.db2.gz QDXQPYJWAGECLJ-GCJKJVERSA-N 2 1 380.536 3.971 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(CC[NH+](C)C)CC4)nc(N)c23)C1 ZINC000180444367 862143165 /nfs/dbraw/zinc/14/31/65/862143165.db2.gz IHEHJQMDTHLBHP-CQSZACIVSA-N 2 1 387.597 3.562 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000180448512 862144802 /nfs/dbraw/zinc/14/48/02/862144802.db2.gz DTNLUTQGWVKIHR-INIZCTEOSA-N 2 1 378.476 3.869 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000515017918 850598756 /nfs/dbraw/zinc/59/87/56/850598756.db2.gz ABQYVESCCOWGBP-NHCUHLMSSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000515017918 850598768 /nfs/dbraw/zinc/59/87/68/850598768.db2.gz ABQYVESCCOWGBP-NHCUHLMSSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000515017918 850598773 /nfs/dbraw/zinc/59/87/73/850598773.db2.gz ABQYVESCCOWGBP-NHCUHLMSSA-N 2 1 395.522 3.917 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440142910 850829967 /nfs/dbraw/zinc/82/99/67/850829967.db2.gz DETAIBKDFFLLJP-NRFANRHFSA-N 2 1 387.593 3.623 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000515395518 850975231 /nfs/dbraw/zinc/97/52/31/850975231.db2.gz NTQVWORSJVJBAI-HTAPYJJXSA-N 2 1 379.504 3.834 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000434351798 851005138 /nfs/dbraw/zinc/00/51/38/851005138.db2.gz DIRMJIPCYOFFNE-KNQAVFIVSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434351798 851005141 /nfs/dbraw/zinc/00/51/41/851005141.db2.gz DIRMJIPCYOFFNE-KNQAVFIVSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434351798 851005142 /nfs/dbraw/zinc/00/51/42/851005142.db2.gz DIRMJIPCYOFFNE-KNQAVFIVSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000569939388 851029991 /nfs/dbraw/zinc/02/99/91/851029991.db2.gz RNEVZXRTXZZDFS-HSZRJFAPSA-N 2 1 383.580 3.840 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000514026079 851139945 /nfs/dbraw/zinc/13/99/45/851139945.db2.gz CMXDBULBIMPETC-IBGZPJMESA-N 2 1 388.600 3.838 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168374167 851156907 /nfs/dbraw/zinc/15/69/07/851156907.db2.gz WYBWDRPFJRZSKD-QFIPXVFZSA-N 2 1 377.573 3.584 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000514104559 851241328 /nfs/dbraw/zinc/24/13/28/851241328.db2.gz KTMIQUAOLXFYIW-KEZOAJOQSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000514166434 851322127 /nfs/dbraw/zinc/32/21/27/851322127.db2.gz CRNAIBPHQDYBPJ-HMXCVIKNSA-N 2 1 396.535 3.551 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H](c4ccccc4)C3)c2)C1 ZINC000436226539 851339255 /nfs/dbraw/zinc/33/92/55/851339255.db2.gz IVLRVMCXXIMVNT-RBZQAINGSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000488345737 851412226 /nfs/dbraw/zinc/41/22/26/851412226.db2.gz IFEAFIOLFBZVHT-SESVOUGMSA-N 2 1 389.971 3.568 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000488345737 851412230 /nfs/dbraw/zinc/41/22/30/851412230.db2.gz IFEAFIOLFBZVHT-SESVOUGMSA-N 2 1 389.971 3.568 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000488345737 851412238 /nfs/dbraw/zinc/41/22/38/851412238.db2.gz IFEAFIOLFBZVHT-SESVOUGMSA-N 2 1 389.971 3.568 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000550079952 851424338 /nfs/dbraw/zinc/42/43/38/851424338.db2.gz OTGLATUCRFMFIB-UGKGYDQZSA-N 2 1 388.552 3.511 20 0 GHADMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434661043 851437016 /nfs/dbraw/zinc/43/70/16/851437016.db2.gz CHAGESFYTOHRHA-LJQANCHMSA-N 2 1 394.563 3.836 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436313717 851446854 /nfs/dbraw/zinc/44/68/54/851446854.db2.gz LYYCXSCOURBTTN-IAGOWNOFSA-N 2 1 376.850 3.826 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cn4ccnc4s3)CC2)c1C ZINC000894491671 851506768 /nfs/dbraw/zinc/50/67/68/851506768.db2.gz HPLIHVCYRZXMPO-UHFFFAOYSA-N 2 1 399.564 3.513 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cn4ccnc4s3)CC2)c1C ZINC000894491671 851506776 /nfs/dbraw/zinc/50/67/76/851506776.db2.gz HPLIHVCYRZXMPO-UHFFFAOYSA-N 2 1 399.564 3.513 20 0 GHADMP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001168374763 851674214 /nfs/dbraw/zinc/67/42/14/851674214.db2.gz RXEVNPCXMGNXFN-QGZVFWFLSA-N 2 1 385.474 3.822 20 0 GHADMP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001168374763 851674219 /nfs/dbraw/zinc/67/42/19/851674219.db2.gz RXEVNPCXMGNXFN-QGZVFWFLSA-N 2 1 385.474 3.822 20 0 GHADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC000894554392 851700556 /nfs/dbraw/zinc/70/05/56/851700556.db2.gz AUUGXIADYLHRFH-PWRODBHTSA-N 2 1 376.516 3.512 20 0 GHADMP C[C@@]1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000488959933 851891085 /nfs/dbraw/zinc/89/10/85/851891085.db2.gz GQKAFWUXCVJHRN-DEOSSOPVSA-N 2 1 398.595 3.747 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000050110268 852016414 /nfs/dbraw/zinc/01/64/14/852016414.db2.gz RCXNBQMMZDQFAF-OALUTQOASA-N 2 1 392.613 3.524 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050110268 852016427 /nfs/dbraw/zinc/01/64/27/852016427.db2.gz RCXNBQMMZDQFAF-OALUTQOASA-N 2 1 392.613 3.524 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000050110268 852016430 /nfs/dbraw/zinc/01/64/30/852016430.db2.gz RCXNBQMMZDQFAF-OALUTQOASA-N 2 1 392.613 3.524 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282477431 862322762 /nfs/dbraw/zinc/32/27/62/862322762.db2.gz PVCQQPJAJJBWBT-UEVCKROQSA-N 2 1 392.547 3.793 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282477431 862322775 /nfs/dbraw/zinc/32/27/75/862322775.db2.gz PVCQQPJAJJBWBT-UEVCKROQSA-N 2 1 392.547 3.793 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467347621 852130937 /nfs/dbraw/zinc/13/09/37/852130937.db2.gz PEQPWMMGCZVZDR-QUCCMNQESA-N 2 1 377.960 3.748 20 0 GHADMP C[NH+](C)CCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)c1ccccc1 ZINC000625553537 862325107 /nfs/dbraw/zinc/32/51/07/862325107.db2.gz GHSSBDJRQSUJSY-NOZRDPDXSA-N 2 1 393.575 3.534 20 0 GHADMP C[NH+](C)CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)c1ccccc1 ZINC000625553539 862325242 /nfs/dbraw/zinc/32/52/42/862325242.db2.gz GHSSBDJRQSUJSY-ZCYQVOJMSA-N 2 1 393.575 3.534 20 0 GHADMP CCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550262461 852214857 /nfs/dbraw/zinc/21/48/57/852214857.db2.gz HQDLTOVMQXQKCU-JOCHJYFZSA-N 2 1 379.548 3.662 20 0 GHADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000516182627 852228464 /nfs/dbraw/zinc/22/84/64/852228464.db2.gz BFYCEOCAZNCQAP-QGZVFWFLSA-N 2 1 377.330 3.711 20 0 GHADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000516182627 852228475 /nfs/dbraw/zinc/22/84/75/852228475.db2.gz BFYCEOCAZNCQAP-QGZVFWFLSA-N 2 1 377.330 3.711 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000516164196 852230478 /nfs/dbraw/zinc/23/04/78/852230478.db2.gz PNHIBWCJAOCPPN-RTBURBONSA-N 2 1 380.621 3.505 20 0 GHADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425997276 852342527 /nfs/dbraw/zinc/34/25/27/852342527.db2.gz WUIVQTFJVQJSKY-FQEVSTJZSA-N 2 1 378.438 3.774 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425997276 852342533 /nfs/dbraw/zinc/34/25/33/852342533.db2.gz WUIVQTFJVQJSKY-FQEVSTJZSA-N 2 1 378.438 3.774 20 0 GHADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506937440 852365890 /nfs/dbraw/zinc/36/58/90/852365890.db2.gz AJDXBIAQCXPTRV-PXNSSMCTSA-N 2 1 375.582 3.684 20 0 GHADMP Cc1cccc(-c2noc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)n2)c1 ZINC000426833429 852468001 /nfs/dbraw/zinc/46/80/01/852468001.db2.gz KWGSUCMUHPHHQR-OALUTQOASA-N 2 1 398.551 3.756 20 0 GHADMP CCC1(CC)CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438503990 852474084 /nfs/dbraw/zinc/47/40/84/852474084.db2.gz TYMTWGZDNJQXLN-UHFFFAOYSA-N 2 1 375.582 3.686 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489786953 852585611 /nfs/dbraw/zinc/58/56/11/852585611.db2.gz NYLJGNONTAGGHL-QIJUGHKUSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000437084975 852736210 /nfs/dbraw/zinc/73/62/10/852736210.db2.gz YLGZBYMLBVRPLW-RSPOEFSDSA-N 2 1 384.486 3.970 20 0 GHADMP c1c(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2n1CCCC2 ZINC000516590572 852771246 /nfs/dbraw/zinc/77/12/46/852771246.db2.gz PSULJTNOMNARSM-MDNUFGMLSA-N 2 1 378.564 4.000 20 0 GHADMP c1c(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCCC2 ZINC000516590572 852771255 /nfs/dbraw/zinc/77/12/55/852771255.db2.gz PSULJTNOMNARSM-MDNUFGMLSA-N 2 1 378.564 4.000 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000427266517 852908952 /nfs/dbraw/zinc/90/89/52/852908952.db2.gz JVXLCHXOOMXKFW-NRFANRHFSA-N 2 1 391.559 3.700 20 0 GHADMP c1ccc([C@H]2C[C@@H](NCC3([NH+]4CCCC4)CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638558145 853034878 /nfs/dbraw/zinc/03/48/78/853034878.db2.gz NTIQHVBAGKRBLD-JTHBVZDNSA-N 2 1 383.580 3.589 20 0 GHADMP Cc1ccc2cc(C[NH+]3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)ccc2n1 ZINC000516919612 853156985 /nfs/dbraw/zinc/15/69/85/853156985.db2.gz NDKULTFWAOLMRN-PMACEKPBSA-N 2 1 397.563 3.633 20 0 GHADMP C[C@@H](C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000437473898 853176229 /nfs/dbraw/zinc/17/62/29/853176229.db2.gz MSEMPRGEYRLJKZ-SFTDATJTSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000437473898 853176235 /nfs/dbraw/zinc/17/62/35/853176235.db2.gz MSEMPRGEYRLJKZ-SFTDATJTSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000437473898 853176240 /nfs/dbraw/zinc/17/62/40/853176240.db2.gz MSEMPRGEYRLJKZ-SFTDATJTSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCc2ccccc2C1 ZINC000437473898 853176243 /nfs/dbraw/zinc/17/62/43/853176243.db2.gz MSEMPRGEYRLJKZ-SFTDATJTSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490702961 853201862 /nfs/dbraw/zinc/20/18/62/853201862.db2.gz WAJMTPYMHVWOMV-PXDATVDWSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490702961 853201869 /nfs/dbraw/zinc/20/18/69/853201869.db2.gz WAJMTPYMHVWOMV-PXDATVDWSA-N 2 1 393.575 3.723 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc(Br)c1OC(F)F ZINC000414978213 853240605 /nfs/dbraw/zinc/24/06/05/853240605.db2.gz STVAZOGLSPGRCF-CYBMUJFWSA-N 2 1 393.272 3.537 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000473879195 853289920 /nfs/dbraw/zinc/28/99/20/853289920.db2.gz UGZGVSINTZBXGF-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000473879195 853289929 /nfs/dbraw/zinc/28/99/29/853289929.db2.gz UGZGVSINTZBXGF-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000473879195 853289939 /nfs/dbraw/zinc/28/99/39/853289939.db2.gz UGZGVSINTZBXGF-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000473879195 853289947 /nfs/dbraw/zinc/28/99/47/853289947.db2.gz UGZGVSINTZBXGF-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000439143979 853339665 /nfs/dbraw/zinc/33/96/65/853339665.db2.gz WCJYHRBSAOCXHC-LPHOPBHVSA-N 2 1 383.374 3.984 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000490953239 853362936 /nfs/dbraw/zinc/36/29/36/853362936.db2.gz JFMCFTXWIOTGQH-MSOLQXFVSA-N 2 1 390.597 3.620 20 0 GHADMP C[C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1CCCC[C@H]1C ZINC000490953239 853362940 /nfs/dbraw/zinc/36/29/40/853362940.db2.gz JFMCFTXWIOTGQH-MSOLQXFVSA-N 2 1 390.597 3.620 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000439200758 853415262 /nfs/dbraw/zinc/41/52/62/853415262.db2.gz RKGASJVCVCJOHC-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000439200758 853415265 /nfs/dbraw/zinc/41/52/65/853415265.db2.gz RKGASJVCVCJOHC-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000439200758 853415269 /nfs/dbraw/zinc/41/52/69/853415269.db2.gz RKGASJVCVCJOHC-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP Fc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]2COc3ccccc3O2)cc1 ZINC000426318897 853422968 /nfs/dbraw/zinc/42/29/68/853422968.db2.gz MQFYTEGPPXPLOE-MDAIXWLXSA-N 2 1 396.506 3.793 20 0 GHADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000491051737 853427620 /nfs/dbraw/zinc/42/76/20/853427620.db2.gz OWHDOODQXNJINB-GMAHTHKFSA-N 2 1 379.548 3.660 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000491051737 853427622 /nfs/dbraw/zinc/42/76/22/853427622.db2.gz OWHDOODQXNJINB-GMAHTHKFSA-N 2 1 379.548 3.660 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000519757801 853468657 /nfs/dbraw/zinc/46/86/57/853468657.db2.gz BWIVAKYBVNMUPH-WAOWUJCRSA-N 2 1 382.976 3.736 20 0 GHADMP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CCO1 ZINC000664653949 853494321 /nfs/dbraw/zinc/49/43/21/853494321.db2.gz QAHALYZSTLMQGT-HNNXBMFYSA-N 2 1 378.314 3.544 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570925122 853672123 /nfs/dbraw/zinc/67/21/23/853672123.db2.gz FEUOENLKOMVKTE-BJKOFHAPSA-N 2 1 391.559 3.537 20 0 GHADMP CSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000439484679 853711329 /nfs/dbraw/zinc/71/13/29/853711329.db2.gz FYVOLPIZAQLLTB-LQWHRVPQSA-N 2 1 397.588 3.838 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000517373110 853722160 /nfs/dbraw/zinc/72/21/60/853722160.db2.gz DGLYHTPWHSBHBO-DLBZAZTESA-N 2 1 376.438 3.576 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(C(F)(F)F)c2)c2cccs2)CC1 ZINC000520190459 853939768 /nfs/dbraw/zinc/93/97/68/853939768.db2.gz TYWHQLJDWNGONN-QGZVFWFLSA-N 2 1 383.483 3.845 20 0 GHADMP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571607452 853958293 /nfs/dbraw/zinc/95/82/93/853958293.db2.gz GEQUPDPVXSHEGD-JOCHJYFZSA-N 2 1 396.531 3.630 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C[N@H+]1C1CC1 ZINC000441183923 853989010 /nfs/dbraw/zinc/98/90/10/853989010.db2.gz TYGZALSUMYKVHB-RXVVDRJESA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C[NH+]1C1CC1 ZINC000441183923 853989017 /nfs/dbraw/zinc/98/90/17/853989017.db2.gz TYGZALSUMYKVHB-RXVVDRJESA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C[NH+]1C1CC1 ZINC000441183923 853989023 /nfs/dbraw/zinc/98/90/23/853989023.db2.gz TYGZALSUMYKVHB-RXVVDRJESA-N 2 1 398.595 3.876 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000894979995 854330298 /nfs/dbraw/zinc/33/02/98/854330298.db2.gz CGPGUAYOVWTOQP-OAQYLSRUSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000588709543 854369412 /nfs/dbraw/zinc/36/94/12/854369412.db2.gz CSSZDORZMDDKAH-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000588709543 854369416 /nfs/dbraw/zinc/36/94/16/854369416.db2.gz CSSZDORZMDDKAH-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)CC[N@H+]1C ZINC000638949166 854402739 /nfs/dbraw/zinc/40/27/39/854402739.db2.gz YROTWGYWMABMIM-PGRDOPGGSA-N 2 1 375.520 3.566 20 0 GHADMP C[C@@H](N[C@@H](C)c1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550390735 854432964 /nfs/dbraw/zinc/43/29/64/854432964.db2.gz GGTOATBJPAJVSD-YQVWRLOYSA-N 2 1 385.939 3.770 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550390735 854432974 /nfs/dbraw/zinc/43/29/74/854432974.db2.gz GGTOATBJPAJVSD-YQVWRLOYSA-N 2 1 385.939 3.770 20 0 GHADMP FC(F)(F)c1nc([C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)no1 ZINC001167995474 854471748 /nfs/dbraw/zinc/47/17/48/854471748.db2.gz GQPHKQSFRMEDTH-LSVZVQIISA-N 2 1 384.446 3.673 20 0 GHADMP FC(F)(F)c1nc([C@H]2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)no1 ZINC001167995474 854471751 /nfs/dbraw/zinc/47/17/51/854471751.db2.gz GQPHKQSFRMEDTH-LSVZVQIISA-N 2 1 384.446 3.673 20 0 GHADMP FC(F)(F)c1nc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)no1 ZINC001167995474 854471759 /nfs/dbraw/zinc/47/17/59/854471759.db2.gz GQPHKQSFRMEDTH-LSVZVQIISA-N 2 1 384.446 3.673 20 0 GHADMP FC(F)(F)c1nc([C@H]2CCC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)no1 ZINC001167995474 854471767 /nfs/dbraw/zinc/47/17/67/854471767.db2.gz GQPHKQSFRMEDTH-LSVZVQIISA-N 2 1 384.446 3.673 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623995715 862571123 /nfs/dbraw/zinc/57/11/23/862571123.db2.gz HOWTYFBVCJLCNE-ZNDGOPKYSA-N 2 1 399.560 3.763 20 0 GHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000481990100 862583847 /nfs/dbraw/zinc/58/38/47/862583847.db2.gz IGRYUWBZKLRLQV-JXFKEZNVSA-N 2 1 392.465 3.993 20 0 GHADMP O=C1Nc2ccccc2CN1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167996102 854656610 /nfs/dbraw/zinc/65/66/10/854656610.db2.gz WSGCAMDTJQPEMO-CBQGHPETSA-N 2 1 394.563 3.904 20 0 GHADMP Cc1nc(-c2ccc(CC[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)s2)cs1 ZINC000655695624 862610713 /nfs/dbraw/zinc/61/07/13/862610713.db2.gz OMALQCGXJRAOOK-QGZVFWFLSA-N 2 1 391.606 3.956 20 0 GHADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572702550 854939252 /nfs/dbraw/zinc/93/92/52/854939252.db2.gz RPFWCIZZAZTDEI-JXFKEZNVSA-N 2 1 388.556 3.686 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656988 855077059 /nfs/dbraw/zinc/07/70/59/855077059.db2.gz HGXJTEDAEBIXIR-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656988 855077066 /nfs/dbraw/zinc/07/70/66/855077066.db2.gz HGXJTEDAEBIXIR-INIZCTEOSA-N 2 1 391.357 3.765 20 0 GHADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000655791294 855192621 /nfs/dbraw/zinc/19/26/21/855192621.db2.gz LLEYBGYTNPGUPI-QXUYBEEESA-N 2 1 375.516 3.725 20 0 GHADMP O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000655791294 855192630 /nfs/dbraw/zinc/19/26/30/855192630.db2.gz LLEYBGYTNPGUPI-QXUYBEEESA-N 2 1 375.516 3.725 20 0 GHADMP Cc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)o2)cc1 ZINC000441479265 855234046 /nfs/dbraw/zinc/23/40/46/855234046.db2.gz VBAAPZJBBPPDER-RTBURBONSA-N 2 1 383.536 3.971 20 0 GHADMP CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459092118 855452256 /nfs/dbraw/zinc/45/22/56/855452256.db2.gz FROOXRVWWXVLNP-CVDCTZTESA-N 2 1 398.595 3.870 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000590818918 855620133 /nfs/dbraw/zinc/62/01/33/855620133.db2.gz IMHSAGKTJBNCBT-DYESRHJHSA-N 2 1 382.976 3.831 20 0 GHADMP O=C1NCC[C@@H]1CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000520604789 855773445 /nfs/dbraw/zinc/77/34/45/855773445.db2.gz YASGCEPQUBSYJM-DHIUTWEWSA-N 2 1 383.580 3.669 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000482132352 862719705 /nfs/dbraw/zinc/71/97/05/862719705.db2.gz BAKPACFRRKIMLO-KAGYGMCKSA-N 2 1 398.595 3.705 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000573079041 855856707 /nfs/dbraw/zinc/85/67/07/855856707.db2.gz PNUPGXDGDKZSQW-GMAHTHKFSA-N 3 1 387.531 3.530 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SC(F)F)cc1 ZINC000765887449 855877061 /nfs/dbraw/zinc/87/70/61/855877061.db2.gz ZYIKFSYVSYVARS-AWEZNQCLSA-N 2 1 385.524 3.595 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000520647307 855901681 /nfs/dbraw/zinc/90/16/81/855901681.db2.gz OSHYTDLJYXEKLA-UHFFFAOYSA-N 2 1 387.119 3.896 20 0 GHADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000482123828 862734764 /nfs/dbraw/zinc/73/47/64/862734764.db2.gz WVOKNAWAIPUQNP-LJQANCHMSA-N 2 1 384.593 3.609 20 0 GHADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000482123828 862734771 /nfs/dbraw/zinc/73/47/71/862734771.db2.gz WVOKNAWAIPUQNP-LJQANCHMSA-N 2 1 384.593 3.609 20 0 GHADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157271520 855933570 /nfs/dbraw/zinc/93/35/70/855933570.db2.gz JUQNXSGIRMRRLI-DLBZAZTESA-N 2 1 387.351 3.683 20 0 GHADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157271520 855933574 /nfs/dbraw/zinc/93/35/74/855933574.db2.gz JUQNXSGIRMRRLI-DLBZAZTESA-N 2 1 387.351 3.683 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1ccccc1Cl ZINC000591545334 856100927 /nfs/dbraw/zinc/10/09/27/856100927.db2.gz BRVCQRODJWWIJB-YLJYHZDGSA-N 2 1 392.975 3.603 20 0 GHADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000542840845 856107914 /nfs/dbraw/zinc/10/79/14/856107914.db2.gz UEOLKJBMEWWCFH-HIFRSBDPSA-N 2 1 384.364 3.942 20 0 GHADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000542840845 856107918 /nfs/dbraw/zinc/10/79/18/856107918.db2.gz UEOLKJBMEWWCFH-HIFRSBDPSA-N 2 1 384.364 3.942 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C1CC1 ZINC000591570153 856156505 /nfs/dbraw/zinc/15/65/05/856156505.db2.gz INQANBXEJGUZPC-GOSISDBHSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[N@H+](C)C1CC1 ZINC000591570153 856156519 /nfs/dbraw/zinc/15/65/19/856156519.db2.gz INQANBXEJGUZPC-GOSISDBHSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[N@@H+](C)C1CC1 ZINC000591570153 856156527 /nfs/dbraw/zinc/15/65/27/856156527.db2.gz INQANBXEJGUZPC-GOSISDBHSA-N 2 1 386.584 3.733 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)[C@H]1c1cccs1 ZINC000905132303 856180971 /nfs/dbraw/zinc/18/09/71/856180971.db2.gz MCMBGRFRGUTSRQ-ONTIZHBOSA-N 2 1 388.577 3.688 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)[C@H]1c1cccs1 ZINC000905132303 856180978 /nfs/dbraw/zinc/18/09/78/856180978.db2.gz MCMBGRFRGUTSRQ-ONTIZHBOSA-N 2 1 388.577 3.688 20 0 GHADMP C[C@H]1CC([NH2+]CC(=O)N(C)Cc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168008235 856263712 /nfs/dbraw/zinc/26/37/12/856263712.db2.gz DFOBAOIETHVDHJ-PMACEKPBSA-N 2 1 379.548 3.676 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3Br)CC2)C[C@H](C)O1 ZINC000060368542 856281653 /nfs/dbraw/zinc/28/16/53/856281653.db2.gz OWZVMKPWSLAAGD-IYBDPMFKSA-N 2 1 381.358 3.770 20 0 GHADMP C[C@H](N[C@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485356635 856392400 /nfs/dbraw/zinc/39/24/00/856392400.db2.gz KDKHYSJTUJXVFU-WPYKKVEZSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485356635 856392411 /nfs/dbraw/zinc/39/24/11/856392411.db2.gz KDKHYSJTUJXVFU-WPYKKVEZSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485356635 856392416 /nfs/dbraw/zinc/39/24/16/856392416.db2.gz KDKHYSJTUJXVFU-WPYKKVEZSA-N 2 1 377.532 3.682 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485405314 856464359 /nfs/dbraw/zinc/46/43/59/856464359.db2.gz QLXGMOIFZASBEI-CZTZKLFOSA-N 2 1 395.522 3.821 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485405314 856464362 /nfs/dbraw/zinc/46/43/62/856464362.db2.gz QLXGMOIFZASBEI-CZTZKLFOSA-N 2 1 395.522 3.821 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000465886697 856768278 /nfs/dbraw/zinc/76/82/78/856768278.db2.gz GCVFSWSSUXXQQK-YADHBBJMSA-N 2 1 386.584 3.585 20 0 GHADMP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)oc21 ZINC000658142457 856796586 /nfs/dbraw/zinc/79/65/86/856796586.db2.gz YKDCISOFYXIXCJ-OXJNMPFZSA-N 2 1 380.488 3.859 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146470 856816899 /nfs/dbraw/zinc/81/68/99/856816899.db2.gz VGCIMUAFEAQPMZ-YWZLYKJASA-N 2 1 389.337 3.867 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000485641499 856851669 /nfs/dbraw/zinc/85/16/69/856851669.db2.gz GHCPMPNIBXHOCH-SFHVURJKSA-N 2 1 393.522 3.510 20 0 GHADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166437344 856944259 /nfs/dbraw/zinc/94/42/59/856944259.db2.gz KFRGJHCWHXZJEK-FCEUIQTBSA-N 2 1 384.568 3.610 20 0 GHADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166437344 856944269 /nfs/dbraw/zinc/94/42/69/856944269.db2.gz KFRGJHCWHXZJEK-FCEUIQTBSA-N 2 1 384.568 3.610 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1F ZINC000665259273 857217374 /nfs/dbraw/zinc/21/73/74/857217374.db2.gz AIKAZTPLRBVYOR-ICSRJNTNSA-N 2 1 376.516 3.609 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000574150526 857237724 /nfs/dbraw/zinc/23/77/24/857237724.db2.gz CRXFZIFKXLBEJC-IBGZPJMESA-N 2 1 376.504 3.730 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000465959541 857243419 /nfs/dbraw/zinc/24/34/19/857243419.db2.gz UWMRXTHRTFZWOD-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000465959541 857243427 /nfs/dbraw/zinc/24/34/27/857243427.db2.gz UWMRXTHRTFZWOD-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000465959541 857243434 /nfs/dbraw/zinc/24/34/34/857243434.db2.gz UWMRXTHRTFZWOD-FGZHOGPDSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc(-c2cc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)on2)cc1 ZINC000665261586 857291445 /nfs/dbraw/zinc/29/14/45/857291445.db2.gz HGEVCFBNZKUBNT-JTHBVZDNSA-N 2 1 391.471 3.696 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000520852251 857298081 /nfs/dbraw/zinc/29/80/81/857298081.db2.gz GGUXBKAXCDTNOH-CLIRFAGPSA-N 2 1 394.559 3.934 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391796 857444498 /nfs/dbraw/zinc/44/44/98/857444498.db2.gz CWMMGRZZBDTQQC-VQTJNVASSA-N 2 1 388.939 3.582 20 0 GHADMP COc1ccc2cc(C[NH2+]C[C@@H](c3cccs3)N3CC[NH+](C)CC3)ccc2c1 ZINC000521332858 857894641 /nfs/dbraw/zinc/89/46/41/857894641.db2.gz QUOFZWABOFKOGD-QFIPXVFZSA-N 2 1 395.572 3.988 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnnn1-c1ccccc1 ZINC000676469520 857905009 /nfs/dbraw/zinc/90/50/09/857905009.db2.gz JLAIZTTZKQYXTP-OALUTQOASA-N 2 1 375.520 3.514 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000066816525 857972901 /nfs/dbraw/zinc/97/29/01/857972901.db2.gz YONPSCJENRADQW-UHFFFAOYSA-N 2 1 382.895 3.792 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)c1 ZINC000442889731 858210045 /nfs/dbraw/zinc/21/00/45/858210045.db2.gz LEOUQIHCFKAEDL-HSZRJFAPSA-N 2 1 381.564 3.595 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000574828121 858308587 /nfs/dbraw/zinc/30/85/87/858308587.db2.gz JLDSVEHCNNOVLD-OXJNMPFZSA-N 2 1 375.532 3.730 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000443064453 858332651 /nfs/dbraw/zinc/33/26/51/858332651.db2.gz YGHPRUCLHAKOEX-VGOFRKELSA-N 2 1 385.939 3.606 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCN(C4CCCCC4)C3=O)CC2)C1 ZINC000443096590 858375895 /nfs/dbraw/zinc/37/58/95/858375895.db2.gz RZMPQBORPSDHSW-QIJUGHKUSA-N 2 1 375.601 3.943 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000521913781 858441666 /nfs/dbraw/zinc/44/16/66/858441666.db2.gz IAAALBONXPVZAN-UWJYYQICSA-N 2 1 385.577 3.694 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccsc1 ZINC000521913781 858441671 /nfs/dbraw/zinc/44/16/71/858441671.db2.gz IAAALBONXPVZAN-UWJYYQICSA-N 2 1 385.577 3.694 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000521955744 858482839 /nfs/dbraw/zinc/48/28/39/858482839.db2.gz WBEPGAXSDVMZPX-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000521955744 858482846 /nfs/dbraw/zinc/48/28/46/858482846.db2.gz WBEPGAXSDVMZPX-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000521955744 858482848 /nfs/dbraw/zinc/48/28/48/858482848.db2.gz WBEPGAXSDVMZPX-NFBKMPQASA-N 2 1 379.548 3.535 20 0 GHADMP CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])n2CC ZINC000595912193 858715901 /nfs/dbraw/zinc/71/59/01/858715901.db2.gz ZEMVXTNALSCGEE-VQIMIIECSA-N 2 1 386.540 3.572 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C(C)(C)c1ccccc1 ZINC000482645987 858719104 /nfs/dbraw/zinc/71/91/04/858719104.db2.gz YDRUIBUXGZEHDK-KNQAVFIVSA-N 2 1 393.575 3.840 20 0 GHADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000466218177 858733952 /nfs/dbraw/zinc/73/39/52/858733952.db2.gz RQGAIUGLMHKSQY-JPYJTQIMSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000466218177 858733960 /nfs/dbraw/zinc/73/39/60/858733960.db2.gz RQGAIUGLMHKSQY-JPYJTQIMSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000466218177 858733966 /nfs/dbraw/zinc/73/39/66/858733966.db2.gz RQGAIUGLMHKSQY-JPYJTQIMSA-N 2 1 398.595 3.733 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000183687997 858798134 /nfs/dbraw/zinc/79/81/34/858798134.db2.gz VAMIRRZMVOIROR-ZWKOTPCHSA-N 2 1 376.504 3.845 20 0 GHADMP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000482816651 858888338 /nfs/dbraw/zinc/88/83/38/858888338.db2.gz QWVTXSVDDPDGNA-GHTZIAJQSA-N 2 1 395.547 3.633 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc4ccccc4c3)C2)ccn1 ZINC000856552420 881372606 /nfs/dbraw/zinc/37/26/06/881372606.db2.gz BHOTZYDDUPZBQO-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc4ccccc4c3)C2)ccn1 ZINC000856552420 881372625 /nfs/dbraw/zinc/37/26/25/881372625.db2.gz BHOTZYDDUPZBQO-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc4ccccc4c3)C2)ccn1 ZINC000856552420 881372642 /nfs/dbraw/zinc/37/26/42/881372642.db2.gz BHOTZYDDUPZBQO-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@H](CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000184988808 859029721 /nfs/dbraw/zinc/02/97/21/859029721.db2.gz WWDRCVHHHYCWDV-RTBURBONSA-N 2 1 392.613 3.524 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C)nn(C(C)(C)C)c3C)C2)ccn1 ZINC000856551993 881373243 /nfs/dbraw/zinc/37/32/43/881373243.db2.gz FGVKRWYJZSZULX-NRFANRHFSA-N 2 1 399.583 3.755 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(C)nn(C(C)(C)C)c3C)C2)ccn1 ZINC000856551993 881373264 /nfs/dbraw/zinc/37/32/64/881373264.db2.gz FGVKRWYJZSZULX-NRFANRHFSA-N 2 1 399.583 3.755 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(C)nn(C(C)(C)C)c3C)C2)ccn1 ZINC000856551993 881373285 /nfs/dbraw/zinc/37/32/85/881373285.db2.gz FGVKRWYJZSZULX-NRFANRHFSA-N 2 1 399.583 3.755 20 0 GHADMP CC(C)c1ccc(CCNC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185718736 859120075 /nfs/dbraw/zinc/12/00/75/859120075.db2.gz DIKNJCSASSELDS-KNQAVFIVSA-N 2 1 385.596 3.711 20 0 GHADMP CC(C)c1ccc(CCNC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185718736 859120087 /nfs/dbraw/zinc/12/00/87/859120087.db2.gz DIKNJCSASSELDS-KNQAVFIVSA-N 2 1 385.596 3.711 20 0 GHADMP Cn1cc(-c2nc(C[NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)cs2)cn1 ZINC000116792587 859165011 /nfs/dbraw/zinc/16/50/11/859165011.db2.gz NILLOSLNMHFPGK-UHFFFAOYSA-N 2 1 395.576 3.888 20 0 GHADMP Cn1cc(-c2nc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cs2)cn1 ZINC000116792587 859165018 /nfs/dbraw/zinc/16/50/18/859165018.db2.gz NILLOSLNMHFPGK-UHFFFAOYSA-N 2 1 395.576 3.888 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000191489494 859182132 /nfs/dbraw/zinc/18/21/32/859182132.db2.gz WRIJLQXOGJLFNT-JLEDNIFVSA-N 2 1 386.584 3.631 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000191489494 859182134 /nfs/dbraw/zinc/18/21/34/859182134.db2.gz WRIJLQXOGJLFNT-JLEDNIFVSA-N 2 1 386.584 3.631 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c2cccs2)CC1 ZINC000443653126 859188553 /nfs/dbraw/zinc/18/85/53/859188553.db2.gz LWAVHJJKNZBRNX-CEXWTWQISA-N 2 1 392.613 3.503 20 0 GHADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000113557957 859210864 /nfs/dbraw/zinc/21/08/64/859210864.db2.gz PQCPHIGSEXPKKP-LJQANCHMSA-N 2 1 390.597 3.621 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000113557957 859210877 /nfs/dbraw/zinc/21/08/77/859210877.db2.gz PQCPHIGSEXPKKP-LJQANCHMSA-N 2 1 390.597 3.621 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)sc2C1 ZINC000543315830 859245630 /nfs/dbraw/zinc/24/56/30/859245630.db2.gz IFKDKVMFXIMDNE-UHFFFAOYSA-N 2 1 384.549 3.758 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)sc2C1 ZINC000543315830 859245642 /nfs/dbraw/zinc/24/56/42/859245642.db2.gz IFKDKVMFXIMDNE-UHFFFAOYSA-N 2 1 384.549 3.758 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000532200994 881399649 /nfs/dbraw/zinc/39/96/49/881399649.db2.gz TWUSQGCTOSGLGX-CQSZACIVSA-N 2 1 382.346 3.630 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C[C@H]1c1ccc(F)cc1 ZINC000429418330 859318988 /nfs/dbraw/zinc/31/89/88/859318988.db2.gz NHIYJRJUFONSRK-HSQNVRHTSA-N 2 1 394.534 3.792 20 0 GHADMP C[C@@H](CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543379252 859472514 /nfs/dbraw/zinc/47/25/14/859472514.db2.gz HKZNKMFOSOMODM-SFTDATJTSA-N 2 1 386.584 3.557 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccsc1 ZINC000483728048 859581902 /nfs/dbraw/zinc/58/19/02/859581902.db2.gz OQYVSBXAJGSYCM-WDSOQIARSA-N 2 1 380.602 3.645 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CC(C)C ZINC000764776974 859607318 /nfs/dbraw/zinc/60/73/18/859607318.db2.gz ROFUFDJNSWBBBY-SESVDKBCSA-N 2 1 375.557 3.647 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483806104 859621393 /nfs/dbraw/zinc/62/13/93/859621393.db2.gz KCAYEDZAYFSVPW-JOCHJYFZSA-N 2 1 390.616 3.737 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C4CCC4)cnn3C)C2)ccn1 ZINC000856560656 881450992 /nfs/dbraw/zinc/45/09/92/881450992.db2.gz YLEGOQUTIFRPBL-OAQYLSRUSA-N 2 1 397.567 3.576 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(C4CCC4)cnn3C)C2)ccn1 ZINC000856560656 881451210 /nfs/dbraw/zinc/45/12/10/881451210.db2.gz YLEGOQUTIFRPBL-OAQYLSRUSA-N 2 1 397.567 3.576 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(C4CCC4)cnn3C)C2)ccn1 ZINC000856560656 881451402 /nfs/dbraw/zinc/45/14/02/881451402.db2.gz YLEGOQUTIFRPBL-OAQYLSRUSA-N 2 1 397.567 3.576 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCSc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458522 859789486 /nfs/dbraw/zinc/78/94/86/859789486.db2.gz GISJDDMBAYJVIU-SQNIBIBYSA-N 2 1 387.593 3.756 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCSc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458522 859789492 /nfs/dbraw/zinc/78/94/92/859789492.db2.gz GISJDDMBAYJVIU-SQNIBIBYSA-N 2 1 387.593 3.756 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1CCCCC1(C)C ZINC000466523488 859840843 /nfs/dbraw/zinc/84/08/43/859840843.db2.gz XTRGXFMHUKWWJM-NRFANRHFSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cnc2ccsc2c1 ZINC000484153348 859848465 /nfs/dbraw/zinc/84/84/65/859848465.db2.gz AHEJCXNLAZLMPL-PWIZWCRZSA-N 2 1 381.545 3.830 20 0 GHADMP Cc1ccc(Nc2ccccc2C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000602199802 859861224 /nfs/dbraw/zinc/86/12/24/859861224.db2.gz APOXWMOHNWZFDM-FQEVSTJZSA-N 2 1 392.547 3.637 20 0 GHADMP Cc1ccc(Nc2ccccc2C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000602199802 859861227 /nfs/dbraw/zinc/86/12/27/859861227.db2.gz APOXWMOHNWZFDM-FQEVSTJZSA-N 2 1 392.547 3.637 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cscc1Br ZINC000511919888 859863893 /nfs/dbraw/zinc/86/38/93/859863893.db2.gz BXBOMTKGIVXAPG-QGZVFWFLSA-N 2 1 395.366 3.757 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cscc1Br ZINC000511919888 859863898 /nfs/dbraw/zinc/86/38/98/859863898.db2.gz BXBOMTKGIVXAPG-QGZVFWFLSA-N 2 1 395.366 3.757 20 0 GHADMP Cc1ccncc1CCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856561967 881470900 /nfs/dbraw/zinc/47/09/00/881470900.db2.gz ZNMITTNZPYMLSE-QHCPKHFHSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccncc1CCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561967 881470906 /nfs/dbraw/zinc/47/09/06/881470906.db2.gz ZNMITTNZPYMLSE-QHCPKHFHSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccncc1CCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561967 881470918 /nfs/dbraw/zinc/47/09/18/881470918.db2.gz ZNMITTNZPYMLSE-QHCPKHFHSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(N2CCOCC2)c1 ZINC000484302242 859922867 /nfs/dbraw/zinc/92/28/67/859922867.db2.gz PLZLMJUWDKBZON-ZJSXRUAMSA-N 2 1 393.575 3.832 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000474470601 860152143 /nfs/dbraw/zinc/15/21/43/860152143.db2.gz DZLBINJPOJSJCQ-JLSDUUJJSA-N 2 1 398.332 3.829 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474472980 860178256 /nfs/dbraw/zinc/17/82/56/860178256.db2.gz JDMZHPOLDXGJEL-UHFFFAOYSA-N 2 1 395.938 3.983 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1-c1noc(Cn2cc[nH+]c2C(C)C)n1 ZINC000895986483 860203788 /nfs/dbraw/zinc/20/37/88/860203788.db2.gz QDOINCJBTBBUEV-UHFFFAOYSA-N 2 1 383.496 3.825 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000533818691 860238103 /nfs/dbraw/zinc/23/81/03/860238103.db2.gz GSXUBLILXBKLLU-RZFNWQHOSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000533818691 860238115 /nfs/dbraw/zinc/23/81/15/860238115.db2.gz GSXUBLILXBKLLU-RZFNWQHOSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000533818691 860238124 /nfs/dbraw/zinc/23/81/24/860238124.db2.gz GSXUBLILXBKLLU-RZFNWQHOSA-N 2 1 392.547 3.525 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000533818691 860238135 /nfs/dbraw/zinc/23/81/35/860238135.db2.gz GSXUBLILXBKLLU-RZFNWQHOSA-N 2 1 392.547 3.525 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474503730 860241600 /nfs/dbraw/zinc/24/16/00/860241600.db2.gz XYIPCXSJSVEJKB-QHCPKHFHSA-N 2 1 395.522 3.702 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474503730 860241612 /nfs/dbraw/zinc/24/16/12/860241612.db2.gz XYIPCXSJSVEJKB-QHCPKHFHSA-N 2 1 395.522 3.702 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000522448201 860309607 /nfs/dbraw/zinc/30/96/07/860309607.db2.gz SUYBXRKYFXFJTO-NRFANRHFSA-N 2 1 375.532 3.765 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000508967605 860320089 /nfs/dbraw/zinc/32/00/89/860320089.db2.gz MCTHVLKFRVNRAM-FXBPSFAMSA-N 2 1 385.596 3.727 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000474615891 860503642 /nfs/dbraw/zinc/50/36/42/860503642.db2.gz LKGJEKIOBANXDI-RHKCVOJBSA-N 2 1 388.552 3.509 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000474615891 860503647 /nfs/dbraw/zinc/50/36/47/860503647.db2.gz LKGJEKIOBANXDI-RHKCVOJBSA-N 2 1 388.552 3.509 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3nsc4ccccc34)C2)ccn1 ZINC000856583585 881552613 /nfs/dbraw/zinc/55/26/13/881552613.db2.gz KQSCHYLMEMTQNE-LJQANCHMSA-N 2 1 396.560 3.839 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3nsc4ccccc34)C2)ccn1 ZINC000856583585 881552626 /nfs/dbraw/zinc/55/26/26/881552626.db2.gz KQSCHYLMEMTQNE-LJQANCHMSA-N 2 1 396.560 3.839 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3nsc4ccccc34)C2)ccn1 ZINC000856583585 881552635 /nfs/dbraw/zinc/55/26/35/881552635.db2.gz KQSCHYLMEMTQNE-LJQANCHMSA-N 2 1 396.560 3.839 20 0 GHADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532230126 881553726 /nfs/dbraw/zinc/55/37/26/881553726.db2.gz CCLXDKDXGAPKSN-GHTZIAJQSA-N 2 1 395.547 3.552 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585929 881557062 /nfs/dbraw/zinc/55/70/62/881557062.db2.gz NOHUFASTDPJMGS-LPHOPBHVSA-N 2 1 380.492 3.889 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585929 881557070 /nfs/dbraw/zinc/55/70/70/881557070.db2.gz NOHUFASTDPJMGS-LPHOPBHVSA-N 2 1 380.492 3.889 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)c3nc4ccccc4o3)C2)ccn1 ZINC000856585929 881557077 /nfs/dbraw/zinc/55/70/77/881557077.db2.gz NOHUFASTDPJMGS-LPHOPBHVSA-N 2 1 380.492 3.889 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000509029638 860615040 /nfs/dbraw/zinc/61/50/40/860615040.db2.gz GEQYHDCWQBJJRM-FFZOFVMBSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000509029638 860615045 /nfs/dbraw/zinc/61/50/45/860615045.db2.gz GEQYHDCWQBJJRM-FFZOFVMBSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000509029638 860615050 /nfs/dbraw/zinc/61/50/50/860615050.db2.gz GEQYHDCWQBJJRM-FFZOFVMBSA-N 2 1 394.991 3.705 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)c1 ZINC000474687205 860630133 /nfs/dbraw/zinc/63/01/33/860630133.db2.gz YIPSHNRNJRCVFS-QHCPKHFHSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)c1 ZINC000474687205 860630137 /nfs/dbraw/zinc/63/01/37/860630137.db2.gz YIPSHNRNJRCVFS-QHCPKHFHSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474687205 860630144 /nfs/dbraw/zinc/63/01/44/860630144.db2.gz YIPSHNRNJRCVFS-QHCPKHFHSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474687205 860630149 /nfs/dbraw/zinc/63/01/49/860630149.db2.gz YIPSHNRNJRCVFS-QHCPKHFHSA-N 2 1 397.538 3.947 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4cc(F)ccc4C3)CC2)cc1 ZINC001168414045 860643025 /nfs/dbraw/zinc/64/30/25/860643025.db2.gz BTKBXRZVQVWJDF-QHCPKHFHSA-N 2 1 382.523 3.988 20 0 GHADMP C(CC[NH+]1CCOC[C@@H](C2CCC2)C1)CC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429017115 860702376 /nfs/dbraw/zinc/70/23/76/860702376.db2.gz CFUODXHASJNAHA-GOTSBHOMSA-N 2 1 378.601 3.654 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOc3cccc(F)c3)C2)ccn1 ZINC000856598501 881571832 /nfs/dbraw/zinc/57/18/32/881571832.db2.gz IIZYWBPGMUCRGU-JOCHJYFZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOc3cccc(F)c3)C2)ccn1 ZINC000856598501 881571833 /nfs/dbraw/zinc/57/18/33/881571833.db2.gz IIZYWBPGMUCRGU-JOCHJYFZSA-N 2 1 387.499 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOc3cccc(F)c3)C2)ccn1 ZINC000856598501 881571840 /nfs/dbraw/zinc/57/18/40/881571840.db2.gz IIZYWBPGMUCRGU-JOCHJYFZSA-N 2 1 387.499 3.593 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192574166 860878770 /nfs/dbraw/zinc/87/87/70/860878770.db2.gz YGKYISRALLPVBY-INIZCTEOSA-N 2 1 381.545 3.915 20 0 GHADMP Cc1nc(C2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)[nH]c1C ZINC000899511350 860952201 /nfs/dbraw/zinc/95/22/01/860952201.db2.gz CKAMTSCXUMUJFF-FQEVSTJZSA-N 2 1 384.499 3.536 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1C ZINC000899505635 860969814 /nfs/dbraw/zinc/96/98/14/860969814.db2.gz OKYRTCAXQXMLIQ-NRFANRHFSA-N 2 1 380.536 3.645 20 0 GHADMP Cc1[nH]c(C2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1C ZINC000899505635 860969819 /nfs/dbraw/zinc/96/98/19/860969819.db2.gz OKYRTCAXQXMLIQ-NRFANRHFSA-N 2 1 380.536 3.645 20 0 GHADMP CCC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000623394098 860992120 /nfs/dbraw/zinc/99/21/20/860992120.db2.gz ZIFAUCYOVACPOJ-PZJWPPBQSA-N 2 1 386.584 3.856 20 0 GHADMP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000623394098 860992138 /nfs/dbraw/zinc/99/21/38/860992138.db2.gz ZIFAUCYOVACPOJ-PZJWPPBQSA-N 2 1 386.584 3.856 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000599321552 861061373 /nfs/dbraw/zinc/06/13/73/861061373.db2.gz IYCDBMFTYRDTRN-RDPSFJRHSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000599321552 861061389 /nfs/dbraw/zinc/06/13/89/861061389.db2.gz IYCDBMFTYRDTRN-RDPSFJRHSA-N 2 1 391.559 3.695 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000600146771 861125543 /nfs/dbraw/zinc/12/55/43/861125543.db2.gz YUTZAJFUMZOLQF-ILWGZMRPSA-N 2 1 393.531 3.649 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000600146771 861125554 /nfs/dbraw/zinc/12/55/54/861125554.db2.gz YUTZAJFUMZOLQF-ILWGZMRPSA-N 2 1 393.531 3.649 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000482443096 863130062 /nfs/dbraw/zinc/13/00/62/863130062.db2.gz FIUPXHMZYZACGG-OAHLLOKOSA-N 2 1 391.968 3.883 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282562273 863231869 /nfs/dbraw/zinc/23/18/69/863231869.db2.gz UJTJHWGBLLUHPR-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000282562273 863231876 /nfs/dbraw/zinc/23/18/76/863231876.db2.gz UJTJHWGBLLUHPR-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)cc1 ZINC000482551180 863296385 /nfs/dbraw/zinc/29/63/85/863296385.db2.gz BEOSJUBQUAHZLI-UYAOXDASSA-N 2 1 381.520 3.717 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000074299772 881652810 /nfs/dbraw/zinc/65/28/10/881652810.db2.gz MIWGFDFUUCSUFX-SIKLNZKXSA-N 2 1 386.584 3.728 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000183148904 863487483 /nfs/dbraw/zinc/48/74/83/863487483.db2.gz XQKCVORTJACVDO-KGLIPLIRSA-N 2 1 383.883 3.907 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183156476 863490705 /nfs/dbraw/zinc/49/07/05/863490705.db2.gz MTZLNGICSYBDIX-SJORKVTESA-N 2 1 392.503 3.717 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2F)cc1 ZINC000183154506 863490780 /nfs/dbraw/zinc/49/07/80/863490780.db2.gz DRRGVNSFLJPXKV-MRXNPFEDSA-N 2 1 380.467 3.629 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000665555348 863563075 /nfs/dbraw/zinc/56/30/75/863563075.db2.gz BYNUHNGIXLNIGE-HMXCVIKNSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000665555348 863563080 /nfs/dbraw/zinc/56/30/80/863563080.db2.gz BYNUHNGIXLNIGE-HMXCVIKNSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000665555348 863563094 /nfs/dbraw/zinc/56/30/94/863563094.db2.gz BYNUHNGIXLNIGE-HMXCVIKNSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000606411518 863579008 /nfs/dbraw/zinc/57/90/08/863579008.db2.gz XTFGXUJNVDKGRQ-OAQYLSRUSA-N 2 1 397.607 3.807 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000606662227 863752579 /nfs/dbraw/zinc/75/25/79/863752579.db2.gz WEUZZLVJWZXSKY-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP CN(CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000378880050 863848778 /nfs/dbraw/zinc/84/87/78/863848778.db2.gz FKTBVKRYIFDYRO-UHFFFAOYSA-N 2 1 375.557 3.540 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N(C)C)[C@@H](C)C1 ZINC000480060638 863929651 /nfs/dbraw/zinc/92/96/51/863929651.db2.gz ATCOKABKFXQAFT-YYWHXJBOSA-N 2 1 381.992 3.669 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000655705014 863986654 /nfs/dbraw/zinc/98/66/54/863986654.db2.gz TXNCEGRORFADHJ-UHFFFAOYSA-N 2 1 377.330 3.519 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537631285 881717880 /nfs/dbraw/zinc/71/78/80/881717880.db2.gz JXCQHROVEFFCCU-XMMPIXPASA-N 2 1 387.531 3.960 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000537631285 881717897 /nfs/dbraw/zinc/71/78/97/881717897.db2.gz JXCQHROVEFFCCU-XMMPIXPASA-N 2 1 387.531 3.960 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000537631285 881717907 /nfs/dbraw/zinc/71/79/07/881717907.db2.gz JXCQHROVEFFCCU-XMMPIXPASA-N 2 1 387.531 3.960 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000537631285 881717916 /nfs/dbraw/zinc/71/79/16/881717916.db2.gz JXCQHROVEFFCCU-XMMPIXPASA-N 2 1 387.531 3.960 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000159019751 864011107 /nfs/dbraw/zinc/01/11/07/864011107.db2.gz OLJAGGIZMRBZEB-SIKLNZKXSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000159019751 864011119 /nfs/dbraw/zinc/01/11/19/864011119.db2.gz OLJAGGIZMRBZEB-SIKLNZKXSA-N 2 1 399.579 3.603 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000159071120 864024023 /nfs/dbraw/zinc/02/40/23/864024023.db2.gz PXVPJYIEQRHSAF-SFHVURJKSA-N 2 1 385.321 3.666 20 0 GHADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Cl)c1 ZINC000621387934 864115385 /nfs/dbraw/zinc/11/53/85/864115385.db2.gz ACXZIVIFFRYCID-UHFFFAOYSA-N 2 1 377.960 3.541 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000469870352 864146711 /nfs/dbraw/zinc/14/67/11/864146711.db2.gz CFCAJBWZYMYFDX-JVPBZIDWSA-N 2 1 389.341 3.502 20 0 GHADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000494449553 881738384 /nfs/dbraw/zinc/73/83/84/881738384.db2.gz BUGFGVBECPYIQE-CRAIPNDOSA-N 2 1 381.358 3.835 20 0 GHADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000475159752 864353333 /nfs/dbraw/zinc/35/33/33/864353333.db2.gz ZJHMGPJJFQVXDN-XMMPIXPASA-N 2 1 395.591 3.907 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)[nH+]c1 ZINC000163467256 864519519 /nfs/dbraw/zinc/51/95/19/864519519.db2.gz NZMWYBJHZMLUCT-MRXNPFEDSA-N 2 1 378.520 3.939 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)C(C)(C)C(=O)N4)CC2)[nH+]c1 ZINC000163467134 864519671 /nfs/dbraw/zinc/51/96/71/864519671.db2.gz NZMWYBJHZMLUCT-INIZCTEOSA-N 2 1 378.520 3.939 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C)(N3CCOCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059396 864544662 /nfs/dbraw/zinc/54/46/62/864544662.db2.gz FFQXVWQZVPUDLQ-IUTQVRIDSA-N 2 1 385.596 3.615 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C(C)C)cc1Cl ZINC000480401040 864608590 /nfs/dbraw/zinc/60/85/90/864608590.db2.gz JHILUHOAHHMNKX-DBXWQHBBSA-N 2 1 394.987 3.928 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000165362605 864665342 /nfs/dbraw/zinc/66/53/42/864665342.db2.gz GHLXWQRZVWXHFJ-XXBNENTESA-N 2 1 391.575 3.517 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000165425830 864671843 /nfs/dbraw/zinc/67/18/43/864671843.db2.gz GNZNERKDRXRJOG-JFIYKMOQSA-N 2 1 385.508 3.709 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000165425830 864671851 /nfs/dbraw/zinc/67/18/51/864671851.db2.gz GNZNERKDRXRJOG-JFIYKMOQSA-N 2 1 385.508 3.709 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000165442617 864672899 /nfs/dbraw/zinc/67/28/99/864672899.db2.gz WFQQSGIATAYYIR-UHFFFAOYSA-N 2 1 385.508 3.854 20 0 GHADMP CN(C(=O)CC(C)(C)C(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000480582991 864908697 /nfs/dbraw/zinc/90/86/97/864908697.db2.gz QAEQCWQZDSLZCU-IRXDYDNUSA-N 2 1 391.522 3.761 20 0 GHADMP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480604144 864961870 /nfs/dbraw/zinc/96/18/70/864961870.db2.gz FWYKDVHBNFEMKW-LJQANCHMSA-N 2 1 395.547 3.714 20 0 GHADMP CC1=C(c2ccco2)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000554838677 865024116 /nfs/dbraw/zinc/02/41/16/865024116.db2.gz BCXZOWXVIYWKPY-UHFFFAOYSA-N 2 1 393.531 3.671 20 0 GHADMP CC1=C(c2ccco2)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000554838677 865024121 /nfs/dbraw/zinc/02/41/21/865024121.db2.gz BCXZOWXVIYWKPY-UHFFFAOYSA-N 2 1 393.531 3.671 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000608166123 865037961 /nfs/dbraw/zinc/03/79/61/865037961.db2.gz WXOFUUDNZPIVSH-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169137948 865063805 /nfs/dbraw/zinc/06/38/05/865063805.db2.gz ZNZYVGLNEHBEMA-RYQLBKOJSA-N 2 1 385.474 3.578 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000480701075 865135774 /nfs/dbraw/zinc/13/57/74/865135774.db2.gz DSBVIIUZNHMFBP-RUZDIDTESA-N 2 1 393.575 4.000 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000622728455 865153367 /nfs/dbraw/zinc/15/33/67/865153367.db2.gz CBKJZPCLBWWMPO-ZWKOTPCHSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000622728455 865153372 /nfs/dbraw/zinc/15/33/72/865153372.db2.gz CBKJZPCLBWWMPO-ZWKOTPCHSA-N 2 1 385.474 3.641 20 0 GHADMP COc1cccc2c1CC[C@H]2[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000480781041 865255126 /nfs/dbraw/zinc/25/51/26/865255126.db2.gz QFPRUQRSBXSFDT-PKTZIBPZSA-N 2 1 379.548 3.651 20 0 GHADMP CC[NH+](CC)[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)Cc1ccccc1 ZINC000480813276 865331182 /nfs/dbraw/zinc/33/11/82/865331182.db2.gz TVUZZEOQEYRNRY-DEOSSOPVSA-N 2 1 380.580 3.589 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2c1C ZINC000301410990 865345590 /nfs/dbraw/zinc/34/55/90/865345590.db2.gz KAWWCJZOTHDGHP-RHSMWYFYSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2c1C ZINC000301410990 865345607 /nfs/dbraw/zinc/34/56/07/865345607.db2.gz KAWWCJZOTHDGHP-RHSMWYFYSA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2c1C ZINC000301410990 865345627 /nfs/dbraw/zinc/34/56/27/865345627.db2.gz KAWWCJZOTHDGHP-RHSMWYFYSA-N 2 1 387.597 3.823 20 0 GHADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000608499811 865387672 /nfs/dbraw/zinc/38/76/72/865387672.db2.gz IEYONSCIDZBYQX-JKSUJKDBSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000608499811 865387687 /nfs/dbraw/zinc/38/76/87/865387687.db2.gz IEYONSCIDZBYQX-JKSUJKDBSA-N 2 1 387.351 3.541 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000738521127 865550804 /nfs/dbraw/zinc/55/08/04/865550804.db2.gz FOXVEJZQMPBTIN-QFIPXVFZSA-N 2 1 397.538 3.758 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000667788803 865567796 /nfs/dbraw/zinc/56/77/96/865567796.db2.gz CNVCTTRKEZWXHG-MDNUFGMLSA-N 2 1 392.547 3.828 20 0 GHADMP OCC[C@@H]1CCCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000671246094 865719909 /nfs/dbraw/zinc/71/99/09/865719909.db2.gz CWWYRXBTAURATP-ZEQRLZLVSA-N 2 1 388.596 3.941 20 0 GHADMP C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404818 865768337 /nfs/dbraw/zinc/76/83/37/865768337.db2.gz VJSVXMHMOCMZEE-HSZRJFAPSA-N 2 1 391.559 3.877 20 0 GHADMP C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404818 865768341 /nfs/dbraw/zinc/76/83/41/865768341.db2.gz VJSVXMHMOCMZEE-HSZRJFAPSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404818 865768346 /nfs/dbraw/zinc/76/83/46/865768346.db2.gz VJSVXMHMOCMZEE-HSZRJFAPSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](Cc1ccc(C(=O)N2CCCC2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404818 865768351 /nfs/dbraw/zinc/76/83/51/865768351.db2.gz VJSVXMHMOCMZEE-HSZRJFAPSA-N 2 1 391.559 3.877 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000671307262 866121486 /nfs/dbraw/zinc/12/14/86/866121486.db2.gz ZGJSNDSFZGLINR-KRWDZBQOSA-N 2 1 399.558 3.906 20 0 GHADMP CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125578 866144171 /nfs/dbraw/zinc/14/41/71/866144171.db2.gz XLFRGLNULIPNQL-UFYCRDLUSA-N 2 1 375.944 3.608 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125578 866144177 /nfs/dbraw/zinc/14/41/77/866144177.db2.gz XLFRGLNULIPNQL-UFYCRDLUSA-N 2 1 375.944 3.608 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125578 866144182 /nfs/dbraw/zinc/14/41/82/866144182.db2.gz XLFRGLNULIPNQL-UFYCRDLUSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125578 866144187 /nfs/dbraw/zinc/14/41/87/866144187.db2.gz XLFRGLNULIPNQL-UFYCRDLUSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534125578 866144191 /nfs/dbraw/zinc/14/41/91/866144191.db2.gz XLFRGLNULIPNQL-UFYCRDLUSA-N 2 1 375.944 3.608 20 0 GHADMP c1c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nnn1-c1ccccc1 ZINC000534230315 866300665 /nfs/dbraw/zinc/30/06/65/866300665.db2.gz RTRIGBGQZCNGKU-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000552904509 866466727 /nfs/dbraw/zinc/46/67/27/866466727.db2.gz JWFOJHFDMMVQSE-AVRDEDQJSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000552904509 866466734 /nfs/dbraw/zinc/46/67/34/866466734.db2.gz JWFOJHFDMMVQSE-AVRDEDQJSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000523115886 866531527 /nfs/dbraw/zinc/53/15/27/866531527.db2.gz AVMRVQZAIBIQIE-AXVVYFOYSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000523115886 866531536 /nfs/dbraw/zinc/53/15/36/866531536.db2.gz AVMRVQZAIBIQIE-AXVVYFOYSA-N 2 1 377.960 3.854 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494587577 881993775 /nfs/dbraw/zinc/99/37/75/881993775.db2.gz TUJOOTQEGBXGEC-JOCHJYFZSA-N 2 1 386.584 3.736 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CCC(C4CCC4)CC3)CC2)CC1 ZINC000620475618 866786222 /nfs/dbraw/zinc/78/62/22/866786222.db2.gz XQVNPIXPJATIOZ-UHFFFAOYSA-N 2 1 375.601 3.658 20 0 GHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000909604244 866792658 /nfs/dbraw/zinc/79/26/58/866792658.db2.gz WTCPMPGVCRJUMJ-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000909604244 866792676 /nfs/dbraw/zinc/79/26/76/866792676.db2.gz WTCPMPGVCRJUMJ-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000741807811 866804275 /nfs/dbraw/zinc/80/42/75/866804275.db2.gz ZWZAWXVGQLIIFQ-SFHVURJKSA-N 2 1 387.351 3.541 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)o1 ZINC000523220681 866889609 /nfs/dbraw/zinc/88/96/09/866889609.db2.gz ZCMJZESPVNPEJW-IEBWSBKVSA-N 2 1 390.572 3.535 20 0 GHADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444602226 866935820 /nfs/dbraw/zinc/93/58/20/866935820.db2.gz ZESOKBWRBYXNFI-PXNSSMCTSA-N 2 1 383.540 3.805 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444602226 866935830 /nfs/dbraw/zinc/93/58/30/866935830.db2.gz ZESOKBWRBYXNFI-PXNSSMCTSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1cc(C)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000631657513 866985870 /nfs/dbraw/zinc/98/58/70/866985870.db2.gz DPGLUDKZDZQEJZ-UHFFFAOYSA-N 2 1 377.598 3.633 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000465565846 867094271 /nfs/dbraw/zinc/09/42/71/867094271.db2.gz HGBVFRLJONLZSH-JOCHJYFZSA-N 2 1 394.563 3.699 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000189953057 882050680 /nfs/dbraw/zinc/05/06/80/882050680.db2.gz LVFMONCAPFNTAT-IRXDYDNUSA-N 2 1 384.495 3.938 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000154074274 867235655 /nfs/dbraw/zinc/23/56/55/867235655.db2.gz XVVVDCRYMCYJMO-JTDSTZFVSA-N 2 1 380.960 3.715 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000171013731 882067927 /nfs/dbraw/zinc/06/79/27/882067927.db2.gz GLAYDOJNUPESLW-UHFFFAOYSA-N 2 1 394.563 3.717 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2)C1 ZINC000857172109 882081084 /nfs/dbraw/zinc/08/10/84/882081084.db2.gz KYFYKPXSIOHAOG-QFIPXVFZSA-N 2 1 392.547 3.537 20 0 GHADMP Cc1ccc(SCC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1C ZINC000154535049 867452106 /nfs/dbraw/zinc/45/21/06/867452106.db2.gz VTUWPQCMDPNQBU-NHCUHLMSSA-N 2 1 375.626 3.886 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000553546632 867635630 /nfs/dbraw/zinc/63/56/30/867635630.db2.gz DSUNXDZWLRNCAF-XWGVYQGASA-N 2 1 399.623 3.908 20 0 GHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000553546632 867635638 /nfs/dbraw/zinc/63/56/38/867635638.db2.gz DSUNXDZWLRNCAF-XWGVYQGASA-N 2 1 399.623 3.908 20 0 GHADMP CC(C)C[C@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000553546632 867635646 /nfs/dbraw/zinc/63/56/46/867635646.db2.gz DSUNXDZWLRNCAF-XWGVYQGASA-N 2 1 399.623 3.908 20 0 GHADMP CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523638886 867707385 /nfs/dbraw/zinc/70/73/85/867707385.db2.gz JKGNXYMIVBFNAJ-OAQYLSRUSA-N 2 1 397.588 3.970 20 0 GHADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000523638886 867707392 /nfs/dbraw/zinc/70/73/92/867707392.db2.gz JKGNXYMIVBFNAJ-OAQYLSRUSA-N 2 1 397.588 3.970 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000190205392 882118784 /nfs/dbraw/zinc/11/87/84/882118784.db2.gz ZHHCBYPQFWQEPT-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCCC(C)(C)C2)[C@@H]1c1cccs1 ZINC000445138434 867855151 /nfs/dbraw/zinc/85/51/51/867855151.db2.gz QCMLNKPYVVWDLY-IEBWSBKVSA-N 2 1 392.613 3.552 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[C@@H]1c1cccs1 ZINC000445138434 867855170 /nfs/dbraw/zinc/85/51/70/867855170.db2.gz QCMLNKPYVVWDLY-IEBWSBKVSA-N 2 1 392.613 3.552 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)[C@@H]1c1cccs1 ZINC000445138434 867855190 /nfs/dbraw/zinc/85/51/90/867855190.db2.gz QCMLNKPYVVWDLY-IEBWSBKVSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479513906 867935335 /nfs/dbraw/zinc/93/53/35/867935335.db2.gz NVXWWLSZMKRYHS-WJXFIBLPSA-N 2 1 389.543 3.703 20 0 GHADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479513906 867935349 /nfs/dbraw/zinc/93/53/49/867935349.db2.gz NVXWWLSZMKRYHS-WJXFIBLPSA-N 2 1 389.543 3.703 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000156172140 868275865 /nfs/dbraw/zinc/27/58/65/868275865.db2.gz XKBCCFDRXVSGCL-UHFFFAOYSA-N 2 1 380.511 3.931 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000479652231 868308595 /nfs/dbraw/zinc/30/85/95/868308595.db2.gz YBAPBHFJOBMQNT-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000479652231 868308608 /nfs/dbraw/zinc/30/86/08/868308608.db2.gz YBAPBHFJOBMQNT-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000479652231 868308626 /nfs/dbraw/zinc/30/86/26/868308626.db2.gz YBAPBHFJOBMQNT-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000156596337 868410715 /nfs/dbraw/zinc/41/07/15/868410715.db2.gz IVHUKNFUQBAXQJ-ZEQRLZLVSA-N 2 1 391.559 3.875 20 0 GHADMP CCC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000743872368 868469616 /nfs/dbraw/zinc/46/96/16/868469616.db2.gz PLMJANUWTPFSEY-QHCPKHFHSA-N 2 1 386.584 3.669 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000156815850 868472796 /nfs/dbraw/zinc/47/27/96/868472796.db2.gz NLEAAYVETRBOAH-DNQXCXABSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc2)C1 ZINC000457636085 868553939 /nfs/dbraw/zinc/55/39/39/868553939.db2.gz BKGJUGJGBSWGET-LJQANCHMSA-N 2 1 388.600 3.838 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000457640591 868559468 /nfs/dbraw/zinc/55/94/68/868559468.db2.gz BZZUXOXWTRHZAF-IBGZPJMESA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000457651518 868576958 /nfs/dbraw/zinc/57/69/58/868576958.db2.gz NLYSSALLDPVNBO-JOCHJYFZSA-N 2 1 386.584 3.543 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000457661419 868595141 /nfs/dbraw/zinc/59/51/41/868595141.db2.gz SQAWVTXWFUXWEN-XMMPIXPASA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000554154653 868854636 /nfs/dbraw/zinc/85/46/36/868854636.db2.gz YTQYDWBHLNVFEO-OAQYLSRUSA-N 2 1 383.580 3.766 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000667589840 868877072 /nfs/dbraw/zinc/87/70/72/868877072.db2.gz DYPHQLXXOFNGLY-UHFFFAOYSA-N 2 1 380.458 3.783 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000667589840 868877084 /nfs/dbraw/zinc/87/70/84/868877084.db2.gz DYPHQLXXOFNGLY-UHFFFAOYSA-N 2 1 380.458 3.783 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000524494457 869150120 /nfs/dbraw/zinc/15/01/20/869150120.db2.gz GLOSTTMVVARCDM-UHFFFAOYSA-N 2 1 388.600 3.723 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000524485149 869166187 /nfs/dbraw/zinc/16/61/87/869166187.db2.gz VYMPUZUYTOVQNW-INIZCTEOSA-N 2 1 397.966 3.878 20 0 GHADMP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121833343 882302659 /nfs/dbraw/zinc/30/26/59/882302659.db2.gz ZMBGGXSYPAMTKX-GOSISDBHSA-N 2 1 385.552 3.804 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000539660507 869548023 /nfs/dbraw/zinc/54/80/23/869548023.db2.gz MLSPDJFURXTRIG-UEVCKROQSA-N 2 1 393.579 3.544 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000446242734 869596373 /nfs/dbraw/zinc/59/63/73/869596373.db2.gz AQLIWCCPQLHYKO-UHFFFAOYSA-N 2 1 388.556 3.597 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000446242734 869596379 /nfs/dbraw/zinc/59/63/79/869596379.db2.gz AQLIWCCPQLHYKO-UHFFFAOYSA-N 2 1 388.556 3.597 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000446569405 870019315 /nfs/dbraw/zinc/01/93/15/870019315.db2.gz NNQQKQNXGULKHG-OAQYLSRUSA-N 2 1 380.536 3.577 20 0 GHADMP CC[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000446564918 870041535 /nfs/dbraw/zinc/04/15/35/870041535.db2.gz MNXKLINOOMAHCX-JOCHJYFZSA-N 2 1 394.563 3.749 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1cccc(-n2cnnn2)c1 ZINC000669851626 870043655 /nfs/dbraw/zinc/04/36/55/870043655.db2.gz KPKSYILUXPTNNH-PGRDOPGGSA-N 2 1 390.535 3.614 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1cccc(-n2cnnn2)c1 ZINC000669851626 870043666 /nfs/dbraw/zinc/04/36/66/870043666.db2.gz KPKSYILUXPTNNH-PGRDOPGGSA-N 2 1 390.535 3.614 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539969486 870128834 /nfs/dbraw/zinc/12/88/34/870128834.db2.gz MGPXBGUZUCEAJY-FQEVSTJZSA-N 2 1 394.401 3.834 20 0 GHADMP O=C(NCCCCCCC[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746320102 870271476 /nfs/dbraw/zinc/27/14/76/870271476.db2.gz DCUHBAMDFHCXBK-IFMALSPDSA-N 2 1 390.616 3.691 20 0 GHADMP CCc1cccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000540044365 870295003 /nfs/dbraw/zinc/29/50/03/870295003.db2.gz WTXHJYXWEDLFNT-UHFFFAOYSA-N 2 1 380.536 3.821 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000525308503 870326356 /nfs/dbraw/zinc/32/63/56/870326356.db2.gz SNSOKCSJISZQID-UHFFFAOYSA-N 2 1 375.376 3.833 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248390647 870359413 /nfs/dbraw/zinc/35/94/13/870359413.db2.gz BMUUTCXHUFZSOH-XKCSPQBFSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390647 870359442 /nfs/dbraw/zinc/35/94/42/870359442.db2.gz BMUUTCXHUFZSOH-XKCSPQBFSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390647 870359458 /nfs/dbraw/zinc/35/94/58/870359458.db2.gz BMUUTCXHUFZSOH-XKCSPQBFSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C ZINC000538718581 870408751 /nfs/dbraw/zinc/40/87/51/870408751.db2.gz AOTLMLVWRDKUNU-NQIIRXRSSA-N 2 1 383.536 3.974 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C ZINC000538718581 870408761 /nfs/dbraw/zinc/40/87/61/870408761.db2.gz AOTLMLVWRDKUNU-NQIIRXRSSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C ZINC000538718581 870408766 /nfs/dbraw/zinc/40/87/66/870408766.db2.gz AOTLMLVWRDKUNU-NQIIRXRSSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@H]1C ZINC000538718581 870408773 /nfs/dbraw/zinc/40/87/73/870408773.db2.gz AOTLMLVWRDKUNU-NQIIRXRSSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OCC ZINC000248437032 870419947 /nfs/dbraw/zinc/41/99/47/870419947.db2.gz GRACMTHQUPMOAL-PGRDOPGGSA-N 2 1 398.547 3.901 20 0 GHADMP C([NH+]1CCS[C@H]2CCCC[C@H]21)C1(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)COC1 ZINC000248439801 870422688 /nfs/dbraw/zinc/42/26/88/870422688.db2.gz UITHJUREZZWXPE-JVSBHGNQSA-N 2 1 396.666 3.723 20 0 GHADMP C([NH+]1CCS[C@@H]2CCCC[C@@H]21)C1(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)COC1 ZINC000248439801 870422700 /nfs/dbraw/zinc/42/27/00/870422700.db2.gz UITHJUREZZWXPE-JVSBHGNQSA-N 2 1 396.666 3.723 20 0 GHADMP C([NH+]1CCS[C@@H]2CCCC[C@@H]21)C1(C[N@H+]2CCS[C@H]3CCCC[C@H]32)COC1 ZINC000248439801 870422709 /nfs/dbraw/zinc/42/27/09/870422709.db2.gz UITHJUREZZWXPE-JVSBHGNQSA-N 2 1 396.666 3.723 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248613594 870538607 /nfs/dbraw/zinc/53/86/07/870538607.db2.gz YGYJYDLZJNPFFG-SCTDSRPQSA-N 2 1 375.532 3.588 20 0 GHADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248613594 870538627 /nfs/dbraw/zinc/53/86/27/870538627.db2.gz YGYJYDLZJNPFFG-SCTDSRPQSA-N 2 1 375.532 3.588 20 0 GHADMP C[NH+](C)CC1(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC000248713841 870601374 /nfs/dbraw/zinc/60/13/74/870601374.db2.gz DVAKOMPPPAYWKZ-MJGOQNOKSA-N 2 1 392.613 3.552 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000540166952 870649267 /nfs/dbraw/zinc/64/92/67/870649267.db2.gz GRPSZPLNQUJNKS-KGLIPLIRSA-N 2 1 382.430 3.853 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)ncn1 ZINC000540174525 870663891 /nfs/dbraw/zinc/66/38/91/870663891.db2.gz FBFFLAUVFSFARI-VJBMBRPKSA-N 2 1 393.579 3.508 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)ncn1 ZINC000540174525 870663898 /nfs/dbraw/zinc/66/38/98/870663898.db2.gz FBFFLAUVFSFARI-VJBMBRPKSA-N 2 1 393.579 3.508 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000525448095 870704676 /nfs/dbraw/zinc/70/46/76/870704676.db2.gz MZQREAKMEYWEJB-REWPJTCUSA-N 2 1 394.563 3.595 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000122214141 882444900 /nfs/dbraw/zinc/44/49/00/882444900.db2.gz ICMMQDWYHQIMNY-SFHVURJKSA-N 2 1 386.540 3.868 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3ccc(F)cc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168831280 870887625 /nfs/dbraw/zinc/88/76/25/870887625.db2.gz BNKNXTLJQBPQTD-LPHOPBHVSA-N 2 1 391.531 3.559 20 0 GHADMP CCN(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000447053523 870926285 /nfs/dbraw/zinc/92/62/85/870926285.db2.gz DBLUYQYCMXJTKL-WMZHIEFXSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463129954 870948407 /nfs/dbraw/zinc/94/84/07/870948407.db2.gz DQSIAQYJWMJHKV-GBXCKJPGSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463129954 870948416 /nfs/dbraw/zinc/94/84/16/870948416.db2.gz DQSIAQYJWMJHKV-GBXCKJPGSA-N 2 1 378.564 3.689 20 0 GHADMP C[C@H](NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000538943550 870948481 /nfs/dbraw/zinc/94/84/81/870948481.db2.gz HSIIVLGQKCHFBX-SFHVURJKSA-N 2 1 398.526 3.636 20 0 GHADMP COc1ccc(CN2CC[C@@H]([N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)CC2=O)cc1 ZINC001168947698 871035672 /nfs/dbraw/zinc/03/56/72/871035672.db2.gz PJEKLAULYUOYQV-BHDDXSALSA-N 2 1 399.579 3.525 20 0 GHADMP COc1cccc(C2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001193430995 871105386 /nfs/dbraw/zinc/10/53/86/871105386.db2.gz WZFWIAQWLGVLGJ-DEOSSOPVSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc(C2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001193430995 871105397 /nfs/dbraw/zinc/10/53/97/871105397.db2.gz WZFWIAQWLGVLGJ-DEOSSOPVSA-N 2 1 380.532 3.512 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC3(CCN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001169097511 871173522 /nfs/dbraw/zinc/17/35/22/871173522.db2.gz ARZZKSNZGUMNNP-UAEXTMCZSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461907302 871211778 /nfs/dbraw/zinc/21/17/78/871211778.db2.gz HEZVLUXOIZKWSN-SFHVURJKSA-N 2 1 396.535 3.575 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461907302 871211798 /nfs/dbraw/zinc/21/17/98/871211798.db2.gz HEZVLUXOIZKWSN-SFHVURJKSA-N 2 1 396.535 3.575 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131665 871221790 /nfs/dbraw/zinc/22/17/90/871221790.db2.gz XKKTUAJGUJZBHD-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131665 871221807 /nfs/dbraw/zinc/22/18/07/871221807.db2.gz XKKTUAJGUJZBHD-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169131665 871221827 /nfs/dbraw/zinc/22/18/27/871221827.db2.gz XKKTUAJGUJZBHD-WEMPKCCASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)CC(=O)N(CC1CC1)c1ccccc13)C2 ZINC001169139033 871228259 /nfs/dbraw/zinc/22/82/59/871228259.db2.gz LTDLSOLDJYCTMI-WKCHPHFGSA-N 2 1 393.575 3.792 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461909122 871241784 /nfs/dbraw/zinc/24/17/84/871241784.db2.gz SUCPWDOLMFIUHP-GOSISDBHSA-N 2 1 396.535 3.575 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461909122 871241796 /nfs/dbraw/zinc/24/17/96/871241796.db2.gz SUCPWDOLMFIUHP-GOSISDBHSA-N 2 1 396.535 3.575 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](C(C)(C)C)C3)cc2)CC1 ZINC001193807083 871317988 /nfs/dbraw/zinc/31/79/88/871317988.db2.gz HHJXOZWOYWTYMI-IBGZPJMESA-N 2 1 386.584 3.525 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001193807415 871318238 /nfs/dbraw/zinc/31/82/38/871318238.db2.gz KPQFLJVDOORGPN-PZJWPPBQSA-N 2 1 385.596 3.914 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC001193808114 871320168 /nfs/dbraw/zinc/32/01/68/871320168.db2.gz RCCWGOKHRFVXNT-OAQYLSRUSA-N 2 1 385.596 3.834 20 0 GHADMP CCN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC001169238861 871335427 /nfs/dbraw/zinc/33/54/27/871335427.db2.gz MQWLWVKQOCMJQE-UHFFFAOYSA-N 2 1 394.401 3.735 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000462017865 871469459 /nfs/dbraw/zinc/46/94/59/871469459.db2.gz RHNLEALLEDSZRF-UHFFFAOYSA-N 2 1 396.535 3.576 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508784 871574398 /nfs/dbraw/zinc/57/43/98/871574398.db2.gz RMZGWSYHFMYRSB-OEMFJLHTSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508784 871574411 /nfs/dbraw/zinc/57/44/11/871574411.db2.gz RMZGWSYHFMYRSB-OEMFJLHTSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508784 871574426 /nfs/dbraw/zinc/57/44/26/871574426.db2.gz RMZGWSYHFMYRSB-OEMFJLHTSA-N 2 1 383.580 3.622 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC001169553884 871633888 /nfs/dbraw/zinc/63/38/88/871633888.db2.gz GAXCBPHDWFQMMM-APWZRJJASA-N 2 1 388.474 3.854 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001194359023 871636316 /nfs/dbraw/zinc/63/63/16/871636316.db2.gz RPKKEZVQKILMMB-RBUKOAKNSA-N 2 1 379.589 3.828 20 0 GHADMP CC(C)[C@H](C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1)[NH+](C)C ZINC000539319860 871682498 /nfs/dbraw/zinc/68/24/98/871682498.db2.gz JSPRRVGKIYJIBJ-FGZHOGPDSA-N 2 1 389.584 3.991 20 0 GHADMP CC(=O)N1CCC[C@H]([NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)C1 ZINC001169610358 871702925 /nfs/dbraw/zinc/70/29/25/871702925.db2.gz OAILMDOJTOAVFO-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169667374 871736882 /nfs/dbraw/zinc/73/68/82/871736882.db2.gz AQCUITLLWLGMNW-VAMGGRTRSA-N 2 1 391.531 3.909 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533946727 871762111 /nfs/dbraw/zinc/76/21/11/871762111.db2.gz LXYFQSFNHBUURZ-GOTSBHOMSA-N 2 1 398.595 3.729 20 0 GHADMP OC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000447536686 871799473 /nfs/dbraw/zinc/79/94/73/871799473.db2.gz PFUADIKIKOPEIG-XGAJZPNHSA-N 2 1 382.523 3.762 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001169712697 871800865 /nfs/dbraw/zinc/80/08/65/871800865.db2.gz DBXFXIFZERKPJN-HSZRJFAPSA-N 2 1 377.532 3.545 20 0 GHADMP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169745797 871817148 /nfs/dbraw/zinc/81/71/48/871817148.db2.gz BOTKTBRJCOHJCU-OAQYLSRUSA-N 2 1 397.950 3.895 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000312143181 871828538 /nfs/dbraw/zinc/82/85/38/871828538.db2.gz SETLZXRKEWUVAA-UAFMIMERSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783673 871876207 /nfs/dbraw/zinc/87/62/07/871876207.db2.gz JTQOQZQHQBJJPJ-VWNXMTODSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783673 871876223 /nfs/dbraw/zinc/87/62/23/871876223.db2.gz JTQOQZQHQBJJPJ-VWNXMTODSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783673 871876239 /nfs/dbraw/zinc/87/62/39/871876239.db2.gz JTQOQZQHQBJJPJ-VWNXMTODSA-N 2 1 391.559 3.745 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000122473611 882570705 /nfs/dbraw/zinc/57/07/05/882570705.db2.gz JUHQPGJRXWPYHY-APWZRJJASA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000122473611 882570716 /nfs/dbraw/zinc/57/07/16/882570716.db2.gz JUHQPGJRXWPYHY-APWZRJJASA-N 2 1 381.524 3.558 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169946008 872048282 /nfs/dbraw/zinc/04/82/82/872048282.db2.gz SDZQSEZBBUEBQP-KOUHRCEDSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169946008 872048303 /nfs/dbraw/zinc/04/83/03/872048303.db2.gz SDZQSEZBBUEBQP-KOUHRCEDSA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCCC4(C3)OCCO4)C[C@H]21 ZINC001169946008 872048324 /nfs/dbraw/zinc/04/83/24/872048324.db2.gz SDZQSEZBBUEBQP-KOUHRCEDSA-N 2 1 390.593 3.966 20 0 GHADMP C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002827 872098495 /nfs/dbraw/zinc/09/84/95/872098495.db2.gz UKVUHWAQUCSNEL-TZRRMPRUSA-N 2 1 381.539 3.868 20 0 GHADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002827 872098516 /nfs/dbraw/zinc/09/85/16/872098516.db2.gz UKVUHWAQUCSNEL-TZRRMPRUSA-N 2 1 381.539 3.868 20 0 GHADMP C[NH+]1CCC[C@@H]1CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002827 872098534 /nfs/dbraw/zinc/09/85/34/872098534.db2.gz UKVUHWAQUCSNEL-TZRRMPRUSA-N 2 1 381.539 3.868 20 0 GHADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002827 872098554 /nfs/dbraw/zinc/09/85/54/872098554.db2.gz UKVUHWAQUCSNEL-TZRRMPRUSA-N 2 1 381.539 3.868 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002827 872098575 /nfs/dbraw/zinc/09/85/75/872098575.db2.gz UKVUHWAQUCSNEL-TZRRMPRUSA-N 2 1 381.539 3.868 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000552248338 872266789 /nfs/dbraw/zinc/26/67/89/872266789.db2.gz DBCZTOIWWDMORG-YSTOQKLRSA-N 2 1 381.486 3.742 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC ZINC000093644453 872314723 /nfs/dbraw/zinc/31/47/23/872314723.db2.gz YJRXLCGYNFZRAY-UKRRQHHQSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(Br)c1OC ZINC000093644453 872314730 /nfs/dbraw/zinc/31/47/30/872314730.db2.gz YJRXLCGYNFZRAY-UKRRQHHQSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000093644453 872314740 /nfs/dbraw/zinc/31/47/40/872314740.db2.gz YJRXLCGYNFZRAY-UKRRQHHQSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000093644453 872314746 /nfs/dbraw/zinc/31/47/46/872314746.db2.gz YJRXLCGYNFZRAY-UKRRQHHQSA-N 2 1 385.346 3.771 20 0 GHADMP C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000540965809 872645113 /nfs/dbraw/zinc/64/51/13/872645113.db2.gz YXCZZDQSFXHDBG-HKUYNNGSSA-N 2 1 378.520 3.630 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000152748708 872827773 /nfs/dbraw/zinc/82/77/73/872827773.db2.gz JWKBMSJCECOPKN-OAFZBRQQSA-N 2 1 380.374 3.594 20 0 GHADMP CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448120802 872879766 /nfs/dbraw/zinc/87/97/66/872879766.db2.gz BEBHXZVEDRREPY-URXFXBBRSA-N 2 1 393.575 3.878 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC001196165508 872923007 /nfs/dbraw/zinc/92/30/07/872923007.db2.gz ABXJGLXFLUFNJC-UHFFFAOYSA-N 2 1 395.454 3.661 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000448205439 873042687 /nfs/dbraw/zinc/04/26/87/873042687.db2.gz PTHMVGOXLPQUON-MDNUFGMLSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@H](C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000152985407 873044905 /nfs/dbraw/zinc/04/49/05/873044905.db2.gz YNXZFGZPQFQRSE-CTNGQTDRSA-N 2 1 395.551 3.533 20 0 GHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262251253 873077855 /nfs/dbraw/zinc/07/78/55/873077855.db2.gz QBZPQTJGFPYIJM-HBUWYVDXSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262251253 873077869 /nfs/dbraw/zinc/07/78/69/873077869.db2.gz QBZPQTJGFPYIJM-HBUWYVDXSA-N 2 1 384.351 3.635 20 0 GHADMP CCc1cnccc1[C@H](C)[NH2+]CC1(C[NH2+][C@@H](C)c2ccncc2CC)COC1 ZINC000541194233 873093513 /nfs/dbraw/zinc/09/35/13/873093513.db2.gz YWYIAUWMMZPOLP-ROUUACIJSA-N 2 1 382.552 3.619 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197212285 873652915 /nfs/dbraw/zinc/65/29/15/873652915.db2.gz LNSVUSRQOFLHSZ-OAQYLSRUSA-N 2 1 378.561 3.845 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001197212285 873652921 /nfs/dbraw/zinc/65/29/21/873652921.db2.gz LNSVUSRQOFLHSZ-OAQYLSRUSA-N 2 1 378.561 3.845 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC3CC[NH+](C4CCCCC4)CC3)CC2)[nH+]c1 ZINC000177247855 882777363 /nfs/dbraw/zinc/77/73/63/882777363.db2.gz ZKFIMBGFCASWAE-UHFFFAOYSA-N 2 1 384.568 3.520 20 0 GHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000769686646 874209110 /nfs/dbraw/zinc/20/91/10/874209110.db2.gz WQVFFVFYQVOHBH-MOPGFXCFSA-N 2 1 389.584 3.975 20 0 GHADMP CC1CC[NH+](CCC[C@@H]([NH2+]Cc2cc(C(N)=O)co2)c2ccc(F)cc2)CC1 ZINC000550911126 882823197 /nfs/dbraw/zinc/82/31/97/882823197.db2.gz XCBPNJNHGGOCGX-OAQYLSRUSA-N 2 1 387.499 3.861 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449044165 874409286 /nfs/dbraw/zinc/40/92/86/874409286.db2.gz BWTVRIRNJDONTO-DYESRHJHSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449044165 874409299 /nfs/dbraw/zinc/40/92/99/874409299.db2.gz BWTVRIRNJDONTO-DYESRHJHSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000449044165 874409313 /nfs/dbraw/zinc/40/93/13/874409313.db2.gz BWTVRIRNJDONTO-DYESRHJHSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000449044165 874409319 /nfs/dbraw/zinc/40/93/19/874409319.db2.gz BWTVRIRNJDONTO-DYESRHJHSA-N 2 1 389.971 3.625 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccnn2C2CCCC2)C[C@H](C)O1 ZINC000449105076 874479251 /nfs/dbraw/zinc/47/92/51/874479251.db2.gz CDMHIIRLQVKXFG-KDURUIRLSA-N 2 1 382.552 3.897 20 0 GHADMP c1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)n(C2CCCC2)n1 ZINC000449091935 874492810 /nfs/dbraw/zinc/49/28/10/874492810.db2.gz RTSWBQAAESIMCD-UHFFFAOYSA-N 2 1 395.595 3.686 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)C1 ZINC000541919320 874531904 /nfs/dbraw/zinc/53/19/04/874531904.db2.gz XCWAZKVJLPBUIC-FPOVZHCZSA-N 2 1 386.923 3.910 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000770327196 874602157 /nfs/dbraw/zinc/60/21/57/874602157.db2.gz RFUVINDFGNNTBT-FYYLOGMGSA-N 2 1 397.563 3.900 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464841897 874612808 /nfs/dbraw/zinc/61/28/08/874612808.db2.gz YXMOUVQIGPPZFL-NRFANRHFSA-N 2 1 393.531 3.672 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464841897 874612821 /nfs/dbraw/zinc/61/28/21/874612821.db2.gz YXMOUVQIGPPZFL-NRFANRHFSA-N 2 1 393.531 3.672 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000464841897 874612829 /nfs/dbraw/zinc/61/28/29/874612829.db2.gz YXMOUVQIGPPZFL-NRFANRHFSA-N 2 1 393.531 3.672 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000464841897 874612838 /nfs/dbraw/zinc/61/28/38/874612838.db2.gz YXMOUVQIGPPZFL-NRFANRHFSA-N 2 1 393.531 3.672 20 0 GHADMP COc1ccc(-n2cc(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)cn2)cc1 ZINC000449240897 874646326 /nfs/dbraw/zinc/64/63/26/874646326.db2.gz PSKSQDYTEBNCEM-UHFFFAOYSA-N 2 1 391.519 3.624 20 0 GHADMP CN(C)c1ncc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000449417116 874814017 /nfs/dbraw/zinc/81/40/17/874814017.db2.gz XARNKAXUPQTDQW-JOCHJYFZSA-N 2 1 393.579 3.665 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H]3CCOc4ccccc43)cc2)C[C@H](C)O1 ZINC001199237826 874867522 /nfs/dbraw/zinc/86/75/22/874867522.db2.gz HNVYPVSFDWTFIF-XQBPLPMBSA-N 2 1 380.532 3.952 20 0 GHADMP O[C@@H](C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000776034098 875251974 /nfs/dbraw/zinc/25/19/74/875251974.db2.gz PUIYUBACLUMLMT-YOEHRIQHSA-N 2 1 376.850 3.856 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3nc(C4CC4)cs3)CC2)CC1 ZINC000542277011 875284712 /nfs/dbraw/zinc/28/47/12/875284712.db2.gz GZJCMSCJNOFWQH-UHFFFAOYSA-N 2 1 376.614 3.649 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc(C4CC4)cs3)CC2)CC1 ZINC000542277011 875284720 /nfs/dbraw/zinc/28/47/20/875284720.db2.gz GZJCMSCJNOFWQH-UHFFFAOYSA-N 2 1 376.614 3.649 20 0 GHADMP c1cc([C@@H]2CCC[N@H+](CCCCCC[NH+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000105570185 875339586 /nfs/dbraw/zinc/33/95/86/875339586.db2.gz AHNXQMANYIZMJO-BGYRXZFFSA-N 2 1 384.572 3.752 20 0 GHADMP c1cc([C@@H]2CCC[NH+](CCCCCC[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000105570185 875339600 /nfs/dbraw/zinc/33/96/00/875339600.db2.gz AHNXQMANYIZMJO-BGYRXZFFSA-N 2 1 384.572 3.752 20 0 GHADMP c1cc([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000105570185 875339613 /nfs/dbraw/zinc/33/96/13/875339613.db2.gz AHNXQMANYIZMJO-BGYRXZFFSA-N 2 1 384.572 3.752 20 0 GHADMP C[C@H](c1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1)N1CCOCC1 ZINC000449846240 875509988 /nfs/dbraw/zinc/50/99/88/875509988.db2.gz WTVWLSAGCMBKRM-XMSQKQJNSA-N 2 1 385.552 3.815 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475739436 882950106 /nfs/dbraw/zinc/95/01/06/882950106.db2.gz OFIJOUYZWSYUAC-URXFXBBRSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475739436 882950117 /nfs/dbraw/zinc/95/01/17/882950117.db2.gz OFIJOUYZWSYUAC-URXFXBBRSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475739436 882950083 /nfs/dbraw/zinc/95/00/83/882950083.db2.gz OFIJOUYZWSYUAC-URXFXBBRSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475739436 882950097 /nfs/dbraw/zinc/95/00/97/882950097.db2.gz OFIJOUYZWSYUAC-URXFXBBRSA-N 2 1 398.522 3.554 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(Nc3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC001201612979 875788576 /nfs/dbraw/zinc/78/85/76/875788576.db2.gz YTWZXZGXPVNBLK-UHFFFAOYSA-N 2 1 392.547 3.804 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc(Br)c1OC(F)F ZINC000491592004 875824090 /nfs/dbraw/zinc/82/40/90/875824090.db2.gz QICGUZOXHPENPU-NSHDSACASA-N 2 1 395.288 3.737 20 0 GHADMP c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](CC2CCCC2)C3)nc1 ZINC001202159529 876035635 /nfs/dbraw/zinc/03/56/35/876035635.db2.gz DRFQHAXVWVUZSE-VWNXMTODSA-N 2 1 383.580 3.822 20 0 GHADMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](CC2CCCC2)C3)nc1 ZINC001202159529 876035648 /nfs/dbraw/zinc/03/56/48/876035648.db2.gz DRFQHAXVWVUZSE-VWNXMTODSA-N 2 1 383.580 3.822 20 0 GHADMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](CC2CCCC2)C3)nc1 ZINC001202159529 876035660 /nfs/dbraw/zinc/03/56/60/876035660.db2.gz DRFQHAXVWVUZSE-VWNXMTODSA-N 2 1 383.580 3.822 20 0 GHADMP FC(F)(F)CCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001202328380 876140532 /nfs/dbraw/zinc/14/05/32/876140532.db2.gz DGGWNSMFPIDHLK-QUCCMNQESA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001202328380 876140543 /nfs/dbraw/zinc/14/05/43/876140543.db2.gz DGGWNSMFPIDHLK-QUCCMNQESA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001202328380 876140552 /nfs/dbraw/zinc/14/05/52/876140552.db2.gz DGGWNSMFPIDHLK-QUCCMNQESA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001202328380 876140556 /nfs/dbraw/zinc/14/05/56/876140556.db2.gz DGGWNSMFPIDHLK-QUCCMNQESA-N 2 1 397.485 3.585 20 0 GHADMP FC(F)(F)CC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001202328380 876140562 /nfs/dbraw/zinc/14/05/62/876140562.db2.gz DGGWNSMFPIDHLK-QUCCMNQESA-N 2 1 397.485 3.585 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)c3ccc(C)c(C(F)(F)F)c3)CC2)CC1 ZINC000529498587 876220860 /nfs/dbraw/zinc/22/08/60/876220860.db2.gz MBBYKBMXUCXOAI-UHFFFAOYSA-N 2 1 397.485 3.646 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000551004738 883032615 /nfs/dbraw/zinc/03/26/15/883032615.db2.gz DUAWOODAMNKMCA-QFIPXVFZSA-N 2 1 399.579 3.940 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123117748 883051268 /nfs/dbraw/zinc/05/12/68/883051268.db2.gz SQRMYFLECOZEQT-HNNXBMFYSA-N 2 1 383.483 3.669 20 0 GHADMP C[C@@H](c1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450644684 876703677 /nfs/dbraw/zinc/70/36/77/876703677.db2.gz BVEZCSHILAQIOQ-SJORKVTESA-N 2 1 383.502 3.953 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139343 883062242 /nfs/dbraw/zinc/06/22/42/883062242.db2.gz DWKOSKTWIAFNMT-IAYUKTFISA-N 3 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139343 883062263 /nfs/dbraw/zinc/06/22/63/883062263.db2.gz DWKOSKTWIAFNMT-IAYUKTFISA-N 3 1 399.623 3.909 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)C1 ZINC000180139343 883062282 /nfs/dbraw/zinc/06/22/82/883062282.db2.gz DWKOSKTWIAFNMT-IAYUKTFISA-N 3 1 399.623 3.909 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Cl ZINC000850357292 876848226 /nfs/dbraw/zinc/84/82/26/876848226.db2.gz DVWGZSCOYFUKMR-IBGZPJMESA-N 2 1 390.959 3.501 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1Cl ZINC000850357292 876848238 /nfs/dbraw/zinc/84/82/38/876848238.db2.gz DVWGZSCOYFUKMR-IBGZPJMESA-N 2 1 390.959 3.501 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786793547 876942982 /nfs/dbraw/zinc/94/29/82/876942982.db2.gz PAKVBZBWBKZPHU-IBGZPJMESA-N 2 1 392.547 3.574 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2c(c1)CCCO2 ZINC000850508790 876980441 /nfs/dbraw/zinc/98/04/41/876980441.db2.gz OFERLHVTFQUYOX-XZOQPEGZSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507210 876980471 /nfs/dbraw/zinc/98/04/71/876980471.db2.gz IEMQFFIASXGKAD-CXAGYDPISA-N 2 1 394.346 3.993 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509647 876981565 /nfs/dbraw/zinc/98/15/65/876981565.db2.gz SJHYMPFREWNTDB-JPYJTQIMSA-N 2 1 390.531 3.598 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000850558950 877025461 /nfs/dbraw/zinc/02/54/61/877025461.db2.gz YCFJDUFKTILCEQ-JVPBZIDWSA-N 2 1 389.367 3.753 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000850558952 877025729 /nfs/dbraw/zinc/02/57/29/877025729.db2.gz YCFJDUFKTILCEQ-ZOCIIQOWSA-N 2 1 389.367 3.753 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134891322 883093247 /nfs/dbraw/zinc/09/32/47/883093247.db2.gz HUANKLFNIVVUDP-PZKPASOESA-N 2 1 392.971 3.727 20 0 GHADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134891322 883093266 /nfs/dbraw/zinc/09/32/66/883093266.db2.gz HUANKLFNIVVUDP-PZKPASOESA-N 2 1 392.971 3.727 20 0 GHADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134891322 883093284 /nfs/dbraw/zinc/09/32/84/883093284.db2.gz HUANKLFNIVVUDP-PZKPASOESA-N 2 1 392.971 3.727 20 0 GHADMP c1c(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)onc1C1CC[NH2+]CC1 ZINC000530207124 877295907 /nfs/dbraw/zinc/29/59/07/877295907.db2.gz BQEPWWNUUMSYMG-UHFFFAOYSA-N 2 1 399.539 3.637 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCC1)c1ccccc1 ZINC000174891520 877313160 /nfs/dbraw/zinc/31/31/60/877313160.db2.gz RVEDCXWVPOOXQP-NRSPTQNISA-N 2 1 384.568 3.528 20 0 GHADMP Brc1cccc([C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C2CCOCC2)c1 ZINC000530217626 877326911 /nfs/dbraw/zinc/32/69/11/877326911.db2.gz UMUJPKVMVHYWNR-ROUUACIJSA-N 2 1 379.342 3.791 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000642638109 912238397 /nfs/dbraw/zinc/23/83/97/912238397.db2.gz GIDIZPDMSBVTMT-DHIUTWEWSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001183066165 912259820 /nfs/dbraw/zinc/25/98/20/912259820.db2.gz VHUXNXAMXYHMRU-PMPSAXMXSA-N 2 1 377.520 3.587 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001183066165 912259830 /nfs/dbraw/zinc/25/98/30/912259830.db2.gz VHUXNXAMXYHMRU-PMPSAXMXSA-N 2 1 377.520 3.587 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](CC(C)C)[C@@H](C)c2ccccc2Cl)CC1 ZINC000551721114 877710207 /nfs/dbraw/zinc/71/02/07/877710207.db2.gz MWUFPKNMDVBVAD-KRWDZBQOSA-N 2 1 379.976 3.960 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(C)C)[C@@H](C)c2ccccc2Cl)CC1 ZINC000551721114 877710221 /nfs/dbraw/zinc/71/02/21/877710221.db2.gz MWUFPKNMDVBVAD-KRWDZBQOSA-N 2 1 379.976 3.960 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000788244598 877946049 /nfs/dbraw/zinc/94/60/49/877946049.db2.gz NTWWPNXDMOUBJW-UWJYYQICSA-N 2 1 387.568 3.727 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000788246874 877948916 /nfs/dbraw/zinc/94/89/16/877948916.db2.gz GJIOIBVPPDWLBH-ZULIPRJHSA-N 2 1 375.557 3.583 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000788246874 877948928 /nfs/dbraw/zinc/94/89/28/877948928.db2.gz GJIOIBVPPDWLBH-ZULIPRJHSA-N 2 1 375.557 3.583 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCCc4ccccc43)c2)C1 ZINC000245476728 877957527 /nfs/dbraw/zinc/95/75/27/877957527.db2.gz TXAALPMRFIQSCI-VWNXMTODSA-N 2 1 391.559 3.941 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccsc1 ZINC000615672616 877999417 /nfs/dbraw/zinc/99/94/17/877999417.db2.gz CGLDGCCKCIBGRU-FQEVSTJZSA-N 2 1 394.629 3.893 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000530576575 878061163 /nfs/dbraw/zinc/06/11/63/878061163.db2.gz LDHFYWYZEZNVRZ-YJBOKZPZSA-N 2 1 385.474 3.546 20 0 GHADMP CC[N@@H+](CCCC(=O)NC(C)(C)CC[NH+](C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC001183152949 912312092 /nfs/dbraw/zinc/31/20/92/912312092.db2.gz WQYYECHMMPLFPJ-LJQANCHMSA-N 2 1 391.600 3.575 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525861 878158206 /nfs/dbraw/zinc/15/82/06/878158206.db2.gz CHTDWVUIHLZTOM-KRWDZBQOSA-N 2 1 375.557 3.872 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000245588836 878158899 /nfs/dbraw/zinc/15/88/99/878158899.db2.gz KHBUTNPHRCXIEB-QZTJIDSGSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000245588836 878158910 /nfs/dbraw/zinc/15/89/10/878158910.db2.gz KHBUTNPHRCXIEB-QZTJIDSGSA-N 2 1 378.520 3.933 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300890 878212598 /nfs/dbraw/zinc/21/25/98/878212598.db2.gz MFDOXKAPNWRTRE-LJQANCHMSA-N 2 1 390.572 3.712 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300890 878212615 /nfs/dbraw/zinc/21/26/15/878212615.db2.gz MFDOXKAPNWRTRE-LJQANCHMSA-N 2 1 390.572 3.712 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3csc4ccccc34)c2)C1 ZINC000237939730 878328597 /nfs/dbraw/zinc/32/85/97/878328597.db2.gz PWAKQNWVWJWMQO-IBGZPJMESA-N 2 1 393.556 3.888 20 0 GHADMP c1cc(C[NH+]2CCC[C@]3(CCOC3)C2)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000451899649 878665499 /nfs/dbraw/zinc/66/54/99/878665499.db2.gz KVZIMUACGGKGIJ-ZEQRLZLVSA-N 2 1 384.564 3.692 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000245901472 878719896 /nfs/dbraw/zinc/71/98/96/878719896.db2.gz DSBURAMXMRMAES-GOTSBHOMSA-N 2 1 398.595 3.688 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000245965431 878807778 /nfs/dbraw/zinc/80/77/78/878807778.db2.gz DXIUWCXERXWSKQ-RBUKOAKNSA-N 2 1 381.358 3.727 20 0 GHADMP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000853092875 878809837 /nfs/dbraw/zinc/80/98/37/878809837.db2.gz RKMSPBHRTDJACF-HNNXBMFYSA-N 2 1 380.558 3.702 20 0 GHADMP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000853092875 878809846 /nfs/dbraw/zinc/80/98/46/878809846.db2.gz RKMSPBHRTDJACF-HNNXBMFYSA-N 2 1 380.558 3.702 20 0 GHADMP O=C(OCc1ccccc1)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c[nH]1 ZINC000853092973 878810203 /nfs/dbraw/zinc/81/02/03/878810203.db2.gz XKQLTGJXORQYRF-FQEVSTJZSA-N 2 1 381.520 3.583 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H]4CC[N@H+](C5CC5)C4)cc3)nc12 ZINC000068840068 879089591 /nfs/dbraw/zinc/08/95/91/879089591.db2.gz LQWPYXVRSLWHTM-HXUWFJFHSA-N 2 1 390.531 3.796 20 0 GHADMP CCc1ccc([C@@H](CO)[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000538306958 879227121 /nfs/dbraw/zinc/22/71/21/879227121.db2.gz JLBLENQVZHZLJP-FGZHOGPDSA-N 2 1 380.532 3.860 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)CC3 ZINC000493251753 879352286 /nfs/dbraw/zinc/35/22/86/879352286.db2.gz VIEQJXWSHLTZKI-CJFMBICVSA-N 2 1 389.543 3.560 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)CC3 ZINC000493251753 879352302 /nfs/dbraw/zinc/35/23/02/879352302.db2.gz VIEQJXWSHLTZKI-CJFMBICVSA-N 2 1 389.543 3.560 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c(C(C)C)c1 ZINC000643085343 912454069 /nfs/dbraw/zinc/45/40/69/912454069.db2.gz MZKDIIQNLJPXPH-GOTSBHOMSA-N 2 1 398.595 3.654 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)o1 ZINC000746877240 879442901 /nfs/dbraw/zinc/44/29/01/879442901.db2.gz PINHCQDUUDOEMZ-UHFFFAOYSA-N 2 1 384.524 3.516 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000246410576 879536779 /nfs/dbraw/zinc/53/67/79/879536779.db2.gz BEPYVWMZJCGQIG-HMXCVIKNSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000246410576 879536788 /nfs/dbraw/zinc/53/67/88/879536788.db2.gz BEPYVWMZJCGQIG-HMXCVIKNSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COCc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000246410576 879536802 /nfs/dbraw/zinc/53/68/02/879536802.db2.gz BEPYVWMZJCGQIG-HMXCVIKNSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COCc2cccs2)CC[NH+]1Cc1ccccc1 ZINC000246410576 879536815 /nfs/dbraw/zinc/53/68/15/879536815.db2.gz BEPYVWMZJCGQIG-HMXCVIKNSA-N 2 1 388.577 3.611 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503612 879629406 /nfs/dbraw/zinc/62/94/06/879629406.db2.gz HUANKLFNIVVUDP-FBRLZHCOSA-N 2 1 392.971 3.727 20 0 GHADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503612 879629418 /nfs/dbraw/zinc/62/94/18/879629418.db2.gz HUANKLFNIVVUDP-FBRLZHCOSA-N 2 1 392.971 3.727 20 0 GHADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503612 879629427 /nfs/dbraw/zinc/62/94/27/879629427.db2.gz HUANKLFNIVVUDP-FBRLZHCOSA-N 2 1 392.971 3.727 20 0 GHADMP CC(C)c1ccc(C[C@@H]2CC[N@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)cc1 ZINC000790382996 879652949 /nfs/dbraw/zinc/65/29/49/879652949.db2.gz HRYKKJRPZNJBBY-RDPSFJRHSA-N 2 1 397.563 3.549 20 0 GHADMP CC(C)c1ccc(C[C@@H]2CC[N@@H+](CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)cc1 ZINC000790382996 879652957 /nfs/dbraw/zinc/65/29/57/879652957.db2.gz HRYKKJRPZNJBBY-RDPSFJRHSA-N 2 1 397.563 3.549 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C[NH+]1CCCCC1 ZINC000246571160 879693743 /nfs/dbraw/zinc/69/37/43/879693743.db2.gz ZJFFOGPVXDNQNI-WSTZPKSXSA-N 2 1 392.613 3.552 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000246688179 879757517 /nfs/dbraw/zinc/75/75/17/879757517.db2.gz AAQBNEDIHGFJMS-GTCWDNOESA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000246688179 879757530 /nfs/dbraw/zinc/75/75/30/879757530.db2.gz AAQBNEDIHGFJMS-GTCWDNOESA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000246688179 879757534 /nfs/dbraw/zinc/75/75/34/879757534.db2.gz AAQBNEDIHGFJMS-GTCWDNOESA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3ccccn3)C2)C1 ZINC001170140379 879814549 /nfs/dbraw/zinc/81/45/49/879814549.db2.gz XSBVHFDJMGIHRX-NAMDQGSHSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2ccccn2)C1 ZINC001170140379 879814570 /nfs/dbraw/zinc/81/45/70/879814570.db2.gz XSBVHFDJMGIHRX-NAMDQGSHSA-N 2 1 383.580 3.821 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC[C@H]21 ZINC000246831991 879819577 /nfs/dbraw/zinc/81/95/77/879819577.db2.gz KEUQFKDMSKZQNN-DHIUTWEWSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000494027652 879839201 /nfs/dbraw/zinc/83/92/01/879839201.db2.gz NNIVYYUZQVFALT-CVDCTZTESA-N 2 1 377.532 3.675 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000246942857 879856693 /nfs/dbraw/zinc/85/66/93/879856693.db2.gz HRLKYAJSNVECIS-ZODMCCGTSA-N 2 1 394.607 3.835 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2)C1 ZINC000246959583 879863649 /nfs/dbraw/zinc/86/36/49/879863649.db2.gz OCPYWQDIKOJYCM-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)C1 ZINC000246959583 879863669 /nfs/dbraw/zinc/86/36/69/879863669.db2.gz OCPYWQDIKOJYCM-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2)C1 ZINC000246959583 879863690 /nfs/dbraw/zinc/86/36/90/879863690.db2.gz OCPYWQDIKOJYCM-OIBXWCBGSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247028118 879891954 /nfs/dbraw/zinc/89/19/54/879891954.db2.gz NFSGTPUIBIWEIN-VAMGGRTRSA-N 2 1 386.584 3.632 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)[C@@H](C)C1 ZINC000247057140 879902859 /nfs/dbraw/zinc/90/28/59/879902859.db2.gz MKJUHQSXQLWCII-OXJNMPFZSA-N 2 1 394.401 3.733 20 0 GHADMP CC[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000247065022 879906496 /nfs/dbraw/zinc/90/64/96/879906496.db2.gz ZYZSHTCAGNUSFO-DZFGPLHGSA-N 2 1 389.971 3.856 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000247073652 879909341 /nfs/dbraw/zinc/90/93/41/879909341.db2.gz OKGUIHNCLIQQMA-KNKQGSTJSA-N 2 1 387.568 3.601 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)[C@H](C)C1 ZINC000247129648 879924826 /nfs/dbraw/zinc/92/48/26/879924826.db2.gz ARLKAQDNAWXVSY-PWHSHALESA-N 2 1 384.568 3.968 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1cccs1 ZINC000247453053 880002288 /nfs/dbraw/zinc/00/22/88/880002288.db2.gz PHYGMYUSXKPCLO-CRAIPNDOSA-N 2 1 392.613 3.739 20 0 GHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494188180 880004278 /nfs/dbraw/zinc/00/42/78/880004278.db2.gz HQSQOKGXUFDNCF-SJORKVTESA-N 2 1 387.749 3.570 20 0 GHADMP CSc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)cc1Cl ZINC000617506486 880010780 /nfs/dbraw/zinc/01/07/80/880010780.db2.gz PEEILZFDLUWWAF-LBPRGKRZSA-N 2 1 392.396 3.717 20 0 GHADMP CSc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)cc1Cl ZINC000617506486 880010794 /nfs/dbraw/zinc/01/07/94/880010794.db2.gz PEEILZFDLUWWAF-LBPRGKRZSA-N 2 1 392.396 3.717 20 0 GHADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247692125 880049780 /nfs/dbraw/zinc/04/97/80/880049780.db2.gz WBAUNPUMJLQOQX-JKSUJKDBSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247692125 880049790 /nfs/dbraw/zinc/04/97/90/880049790.db2.gz WBAUNPUMJLQOQX-JKSUJKDBSA-N 2 1 387.351 3.541 20 0 GHADMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnc2ccsc2c1 ZINC000531703078 880331069 /nfs/dbraw/zinc/33/10/69/880331069.db2.gz FHCIZCIBTAULRS-UWJYYQICSA-N 2 1 380.561 3.936 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1SC ZINC000185018406 880449349 /nfs/dbraw/zinc/44/93/49/880449349.db2.gz ZBNXCOVQJFCVKL-QGZVFWFLSA-N 2 1 378.586 3.597 20 0 GHADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)cc21 ZINC000453198751 880607247 /nfs/dbraw/zinc/60/72/47/880607247.db2.gz WCOULIUBRXYZPV-JRFVFWCSSA-N 2 1 389.543 3.505 20 0 GHADMP O=C1NCCc2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]4CCC[C@@H]43)cc21 ZINC000453198751 880607254 /nfs/dbraw/zinc/60/72/54/880607254.db2.gz WCOULIUBRXYZPV-JRFVFWCSSA-N 2 1 389.543 3.505 20 0 GHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc2n1CCS2 ZINC000453207819 880619594 /nfs/dbraw/zinc/61/95/94/880619594.db2.gz ZWHIRECDTZUCRF-PCCBWWKXSA-N 2 1 382.577 3.564 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CCCO1 ZINC000453218939 880637596 /nfs/dbraw/zinc/63/75/96/880637596.db2.gz SKDFOVJOLRLIJQ-DUXKGJEZSA-N 2 1 380.960 3.521 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000185805924 880699336 /nfs/dbraw/zinc/69/93/36/880699336.db2.gz ONSDOILDDKOVJV-JOCHJYFZSA-N 2 1 380.536 3.780 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000531936833 880790516 /nfs/dbraw/zinc/79/05/16/880790516.db2.gz CWTZTQJRERSBAK-OWCLPIDISA-N 2 1 381.948 3.776 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000531936833 880790519 /nfs/dbraw/zinc/79/05/19/880790519.db2.gz CWTZTQJRERSBAK-OWCLPIDISA-N 2 1 381.948 3.776 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792328297 881050438 /nfs/dbraw/zinc/05/04/38/881050438.db2.gz ZOSLYKJLHNDZNB-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792328297 881050453 /nfs/dbraw/zinc/05/04/53/881050453.db2.gz ZOSLYKJLHNDZNB-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792328295 881051147 /nfs/dbraw/zinc/05/11/47/881051147.db2.gz ZOSLYKJLHNDZNB-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792328295 881051164 /nfs/dbraw/zinc/05/11/64/881051164.db2.gz ZOSLYKJLHNDZNB-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)c1 ZINC000187206995 881103056 /nfs/dbraw/zinc/10/30/56/881103056.db2.gz JFQKLWGXBBZRKZ-UHFFFAOYSA-N 2 1 394.968 3.875 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(Cl)c2S(=O)(=O)CC)c1 ZINC000187206995 881103068 /nfs/dbraw/zinc/10/30/68/881103068.db2.gz JFQKLWGXBBZRKZ-UHFFFAOYSA-N 2 1 394.968 3.875 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000119938517 881219125 /nfs/dbraw/zinc/21/91/25/881219125.db2.gz XQNRMAWFUXVDKX-IBGZPJMESA-N 2 1 397.567 3.655 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000119938517 881219139 /nfs/dbraw/zinc/21/91/39/881219139.db2.gz XQNRMAWFUXVDKX-IBGZPJMESA-N 2 1 397.567 3.655 20 0 GHADMP Clc1cccnc1N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000119949252 881224647 /nfs/dbraw/zinc/22/46/47/881224647.db2.gz CGGLBQNDGLQXFV-FQEVSTJZSA-N 2 1 384.955 3.610 20 0 GHADMP C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494235684 881316932 /nfs/dbraw/zinc/31/69/32/881316932.db2.gz YHWGGJNDFHRLRW-PGMHBOJBSA-N 2 1 391.559 3.934 20 0 GHADMP C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000494235684 881316949 /nfs/dbraw/zinc/31/69/49/881316949.db2.gz YHWGGJNDFHRLRW-PGMHBOJBSA-N 2 1 391.559 3.934 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000077711859 883176277 /nfs/dbraw/zinc/17/62/77/883176277.db2.gz CEYMLTKUZVIANY-UHFFFAOYSA-N 2 1 382.552 3.588 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000551084320 883258888 /nfs/dbraw/zinc/25/88/88/883258888.db2.gz WQHANHLZKAJJHW-XZOQPEGZSA-N 2 1 398.595 3.918 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C[C@@H]1c1ccccc1 ZINC000551084320 883258900 /nfs/dbraw/zinc/25/89/00/883258900.db2.gz WQHANHLZKAJJHW-XZOQPEGZSA-N 2 1 398.595 3.918 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000565421864 883265046 /nfs/dbraw/zinc/26/50/46/883265046.db2.gz JVWWOGYZWSPBHT-YYWHXJBOSA-N 2 1 382.552 3.873 20 0 GHADMP Cc1cc(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1OCC[NH+](C)C ZINC001183671356 912717929 /nfs/dbraw/zinc/71/79/29/912717929.db2.gz YRJRDSAWMPDDOA-UNMCSNQZSA-N 2 1 381.520 3.567 20 0 GHADMP CC1(C)C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C(C)(C)O1 ZINC000551263751 883572323 /nfs/dbraw/zinc/57/23/23/883572323.db2.gz DNWWROCANQGSAR-LEWJYISDSA-N 2 1 386.580 3.851 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)c1 ZINC000551270612 883582420 /nfs/dbraw/zinc/58/24/20/883582420.db2.gz FWQLOHJRLREQJO-HSZRJFAPSA-N 2 1 384.520 3.516 20 0 GHADMP C(CC[NH+]1CCC[C@]2(CCCOC2)C1)CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053451 883617955 /nfs/dbraw/zinc/61/79/55/883617955.db2.gz BAKMLLFQGAVTDN-ZRZAMGCNSA-N 2 1 378.601 3.942 20 0 GHADMP C(CC[NH+]1CCC[C@@]2(CCCOC2)C1)CC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053451 883617965 /nfs/dbraw/zinc/61/79/65/883617965.db2.gz BAKMLLFQGAVTDN-ZRZAMGCNSA-N 2 1 378.601 3.942 20 0 GHADMP C(CC[NH+]1CCC[C@@]2(CCCOC2)C1)CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053451 883617970 /nfs/dbraw/zinc/61/79/70/883617970.db2.gz BAKMLLFQGAVTDN-ZRZAMGCNSA-N 2 1 378.601 3.942 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000079027857 883649669 /nfs/dbraw/zinc/64/96/69/883649669.db2.gz CYVIITSYNLYBLY-QHCPKHFHSA-N 2 1 395.522 3.775 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000079027857 883649678 /nfs/dbraw/zinc/64/96/78/883649678.db2.gz CYVIITSYNLYBLY-QHCPKHFHSA-N 2 1 395.522 3.775 20 0 GHADMP C[C@H](OC[C@@H](O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1)c1ccc(Cl)cc1 ZINC000859214088 883667723 /nfs/dbraw/zinc/66/77/23/883667723.db2.gz LRYDRLDLCJNJBX-JTSKRJEESA-N 2 1 390.955 3.972 20 0 GHADMP CCN1C[C@H](C)[NH+](CC[Si](C)(C)CC[N@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@H]1C ZINC000859221657 883673773 /nfs/dbraw/zinc/67/37/73/883673773.db2.gz WPIZIKMXJCPUEY-LRSLUSHPSA-N 2 1 396.740 3.524 20 0 GHADMP CCN1C[C@H](C)[N@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@H]1C ZINC000859221657 883673783 /nfs/dbraw/zinc/67/37/83/883673783.db2.gz WPIZIKMXJCPUEY-LRSLUSHPSA-N 2 1 396.740 3.524 20 0 GHADMP CCN1C[C@H](C)[N@@H+](CC[Si](C)(C)CC[NH+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@H]1C ZINC000859221657 883673792 /nfs/dbraw/zinc/67/37/92/883673792.db2.gz WPIZIKMXJCPUEY-LRSLUSHPSA-N 2 1 396.740 3.524 20 0 GHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000227280774 883990799 /nfs/dbraw/zinc/99/07/99/883990799.db2.gz NBFUQXFKODWLRC-BJKOFHAPSA-N 2 1 391.559 3.852 20 0 GHADMP CCC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC[N@H+]1Cc1ccccc1 ZINC001127441118 884072713 /nfs/dbraw/zinc/07/27/13/884072713.db2.gz NIDKIQYQULMCNE-NRFANRHFSA-N 2 1 376.504 3.769 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(CO)c1 ZINC000556234417 884187517 /nfs/dbraw/zinc/18/75/17/884187517.db2.gz XHSWYPSASNELNG-GBXCKJPGSA-N 2 1 394.559 3.758 20 0 GHADMP CC(C)C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000556238800 884201140 /nfs/dbraw/zinc/20/11/40/884201140.db2.gz OMJWRYHICQFOPB-VHYCJAOWSA-N 2 1 387.612 3.766 20 0 GHADMP CCOc1c(Cl)cccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000494943096 884256688 /nfs/dbraw/zinc/25/66/88/884256688.db2.gz TVMSXXKFZGFGFB-UHFFFAOYSA-N 2 1 379.976 3.729 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496748 884303548 /nfs/dbraw/zinc/30/35/48/884303548.db2.gz LHJPOVUPTZSTIG-VQQMMKBISA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496748 884303563 /nfs/dbraw/zinc/30/35/63/884303563.db2.gz LHJPOVUPTZSTIG-VQQMMKBISA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496748 884303579 /nfs/dbraw/zinc/30/35/79/884303579.db2.gz LHJPOVUPTZSTIG-VQQMMKBISA-N 2 1 379.589 3.971 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000460349090 884932171 /nfs/dbraw/zinc/93/21/71/884932171.db2.gz QRNCCFWRBDEDAI-CYGODWOOSA-N 2 1 399.966 3.702 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000460349090 884932188 /nfs/dbraw/zinc/93/21/88/884932188.db2.gz QRNCCFWRBDEDAI-CYGODWOOSA-N 2 1 399.966 3.702 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000460366545 885061208 /nfs/dbraw/zinc/06/12/08/885061208.db2.gz YSNFWYHBEUMLPX-BRLLKYFNSA-N 2 1 387.474 3.650 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000460366545 885061221 /nfs/dbraw/zinc/06/12/21/885061221.db2.gz YSNFWYHBEUMLPX-BRLLKYFNSA-N 2 1 387.474 3.650 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000045788432 885317161 /nfs/dbraw/zinc/31/71/61/885317161.db2.gz CMWDGXILBBHDGP-FQEVSTJZSA-N 2 1 398.595 3.688 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)CC1 ZINC000130903018 885321635 /nfs/dbraw/zinc/32/16/35/885321635.db2.gz OQXCHTOCVKIIMK-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000130903018 885321657 /nfs/dbraw/zinc/32/16/57/885321657.db2.gz OQXCHTOCVKIIMK-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000130903018 885321679 /nfs/dbraw/zinc/32/16/79/885321679.db2.gz OQXCHTOCVKIIMK-NRFANRHFSA-N 2 1 380.621 3.508 20 0 GHADMP Brc1cncc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000655766094 885332399 /nfs/dbraw/zinc/33/23/99/885332399.db2.gz MKOIPJMTYVBFFB-RBUKOAKNSA-N 2 1 394.357 3.528 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000302980919 885409521 /nfs/dbraw/zinc/40/95/21/885409521.db2.gz JOYGFFMJTVTPQZ-ZSYWTGECSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000532446311 885482517 /nfs/dbraw/zinc/48/25/17/885482517.db2.gz DNHVCUNAWFQDIC-IBGZPJMESA-N 2 1 379.552 3.610 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000550626878 885584560 /nfs/dbraw/zinc/58/45/60/885584560.db2.gz CPJXJGGSQCKFBF-XZOQPEGZSA-N 2 1 377.532 3.716 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000550626878 885584574 /nfs/dbraw/zinc/58/45/74/885584574.db2.gz CPJXJGGSQCKFBF-XZOQPEGZSA-N 2 1 377.532 3.716 20 0 GHADMP COc1cccc(N2C[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)CC2=O)c1 ZINC000532488522 885823048 /nfs/dbraw/zinc/82/30/48/885823048.db2.gz HBPQBDRBZBKGTI-LPHOPBHVSA-N 2 1 390.487 3.645 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000532537381 885934567 /nfs/dbraw/zinc/93/45/67/885934567.db2.gz FANFFBOEOFQWHI-JMQGYIBLSA-N 2 1 375.601 3.512 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCCc1cccs1 ZINC000495509920 885979523 /nfs/dbraw/zinc/97/95/23/885979523.db2.gz AAMABTFXMVCECB-OALUTQOASA-N 2 1 399.604 3.960 20 0 GHADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000612407643 886093953 /nfs/dbraw/zinc/09/39/53/886093953.db2.gz WJITZGUMIPNKSE-TZIWHRDSSA-N 2 1 396.531 3.801 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CN2C(=O)C(C)(C)[C@H]2c2ccncc2)CC1 ZINC000808172842 886106353 /nfs/dbraw/zinc/10/63/53/886106353.db2.gz XMZZPIFWGCYSCN-DENIHFKCSA-N 2 1 398.595 3.925 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)CC1 ZINC000808172842 886106362 /nfs/dbraw/zinc/10/63/62/886106362.db2.gz XMZZPIFWGCYSCN-DENIHFKCSA-N 2 1 398.595 3.925 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)[C@H]2c2ccncc2)CC1 ZINC000808172842 886106369 /nfs/dbraw/zinc/10/63/69/886106369.db2.gz XMZZPIFWGCYSCN-DENIHFKCSA-N 2 1 398.595 3.925 20 0 GHADMP C[C@@H](c1ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000118029318 886149937 /nfs/dbraw/zinc/14/99/37/886149937.db2.gz LBESWNBGYOENKP-PXNSSMCTSA-N 2 1 390.572 3.568 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000498944759 886163717 /nfs/dbraw/zinc/16/37/17/886163717.db2.gz UGNPDHKIXNEAGA-BJKOFHAPSA-N 2 1 380.507 3.988 20 0 GHADMP O[C@@]1(C[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000498944759 886163726 /nfs/dbraw/zinc/16/37/26/886163726.db2.gz UGNPDHKIXNEAGA-BJKOFHAPSA-N 2 1 380.507 3.988 20 0 GHADMP CC1CCC([NH+]2CCC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001168216975 886214422 /nfs/dbraw/zinc/21/44/22/886214422.db2.gz GPZCVZVGGDVUHY-UHFFFAOYSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc3ccccc3c2)CC1 ZINC000919719245 886216123 /nfs/dbraw/zinc/21/61/23/886216123.db2.gz QXBNWEWZIITJAI-UHFFFAOYSA-N 2 1 377.517 3.796 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000118772213 886261297 /nfs/dbraw/zinc/26/12/97/886261297.db2.gz ZQTKKPJBZIFVCZ-LJQANCHMSA-N 2 1 382.552 3.945 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000118772213 886261315 /nfs/dbraw/zinc/26/13/15/886261315.db2.gz ZQTKKPJBZIFVCZ-LJQANCHMSA-N 2 1 382.552 3.945 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000118944014 886356178 /nfs/dbraw/zinc/35/61/78/886356178.db2.gz COXUVLADEIVOFR-YADHBBJMSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000118944014 886356196 /nfs/dbraw/zinc/35/61/96/886356196.db2.gz COXUVLADEIVOFR-YADHBBJMSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000118944014 886356215 /nfs/dbraw/zinc/35/62/15/886356215.db2.gz COXUVLADEIVOFR-YADHBBJMSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1)c1ccccc1 ZINC000118970417 886373680 /nfs/dbraw/zinc/37/36/80/886373680.db2.gz PEYIAFSRAXGNST-UKILVPOCSA-N 2 1 396.575 3.924 20 0 GHADMP C[NH+](C)C1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001168321674 886406849 /nfs/dbraw/zinc/40/68/49/886406849.db2.gz KAXNPVFYTVMBQC-VNXZQDSDSA-N 3 1 385.596 3.615 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000919861173 886631144 /nfs/dbraw/zinc/63/11/44/886631144.db2.gz QBKZQNMVJLBTCQ-UHFFFAOYSA-N 2 1 384.483 3.657 20 0 GHADMP CCCC[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000236766773 886882289 /nfs/dbraw/zinc/88/22/89/886882289.db2.gz ZJZYJXWCYXUJPH-UHFFFAOYSA-N 2 1 397.357 3.965 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000237126453 886913735 /nfs/dbraw/zinc/91/37/35/886913735.db2.gz COJGOMLTZXGXHS-HIFRSBDPSA-N 2 1 384.364 3.990 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000536573956 887231122 /nfs/dbraw/zinc/23/11/22/887231122.db2.gz NICDYQUOBXUDGS-UHFFFAOYSA-N 2 1 392.632 3.652 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(CC2CC[NH2+]CC2)no1 ZINC000863654950 887264986 /nfs/dbraw/zinc/26/49/86/887264986.db2.gz UYXNIIBCJZWGNL-NHCUHLMSSA-N 2 1 382.552 3.873 20 0 GHADMP COc1cccc(C[C@@H]([NH3+])c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000863659048 887267901 /nfs/dbraw/zinc/26/79/01/887267901.db2.gz ZXJCXRYXRNMGQU-HXUWFJFHSA-N 2 1 378.476 3.584 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccccc1 ZINC000194055084 887997692 /nfs/dbraw/zinc/99/76/92/887997692.db2.gz CJKCNCMADVAIGL-JOCHJYFZSA-N 2 1 394.563 3.806 20 0 GHADMP COc1cccc(C[C@H]([NH3+])C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)c1 ZINC000638072646 888464125 /nfs/dbraw/zinc/46/41/25/888464125.db2.gz UKVBAZSIBZLMOE-NRFANRHFSA-N 2 1 392.503 3.572 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000195136922 888650490 /nfs/dbraw/zinc/65/04/90/888650490.db2.gz CICMVHKLLICKAB-AZUAARDMSA-N 2 1 379.504 3.816 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC000123357270 888850358 /nfs/dbraw/zinc/85/03/58/888850358.db2.gz GNRDAPQILNQSJI-QGZVFWFLSA-N 2 1 383.540 3.853 20 0 GHADMP Clc1ccc([C@@H]2OCCC[C@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000866607757 888966506 /nfs/dbraw/zinc/96/65/06/888966506.db2.gz UYBRNXBXQXEQCB-NJYVYQBISA-N 2 1 378.944 3.793 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NCCCC[N@@H+](C)C3CC3)c2)CC1 ZINC000454430273 889013353 /nfs/dbraw/zinc/01/33/53/889013353.db2.gz MDVZIQQXTVOPOR-UHFFFAOYSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+]1CCCC[C@H]1C ZINC000465530479 889256759 /nfs/dbraw/zinc/25/67/59/889256759.db2.gz NZCOONKHZBVIEG-FTEYMNFISA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@@H+]1CCCC[C@H]1C ZINC000465530479 889256774 /nfs/dbraw/zinc/25/67/74/889256774.db2.gz NZCOONKHZBVIEG-FTEYMNFISA-N 2 1 392.613 3.693 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)[N@H+]1CCCC[C@H]1C ZINC000465530479 889256788 /nfs/dbraw/zinc/25/67/88/889256788.db2.gz NZCOONKHZBVIEG-FTEYMNFISA-N 2 1 392.613 3.693 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)cc1 ZINC000644524162 913337041 /nfs/dbraw/zinc/33/70/41/913337041.db2.gz XFPVVCYYWKFFTA-ZGFBMJKBSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000644530889 913345262 /nfs/dbraw/zinc/34/52/62/913345262.db2.gz RRBGGXSTNCRGNZ-PKTZIBPZSA-N 2 1 382.548 3.545 20 0 GHADMP CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000532976311 889440062 /nfs/dbraw/zinc/44/00/62/889440062.db2.gz DXPDGMGBBDDHAH-SFHVURJKSA-N 2 1 375.582 3.686 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988658 889471841 /nfs/dbraw/zinc/47/18/41/889471841.db2.gz SIZZFOLRAQBDGT-PBHICJAKSA-N 2 1 382.346 3.582 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988658 889471852 /nfs/dbraw/zinc/47/18/52/889471852.db2.gz SIZZFOLRAQBDGT-PBHICJAKSA-N 2 1 382.346 3.582 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000532988658 889471857 /nfs/dbraw/zinc/47/18/57/889471857.db2.gz SIZZFOLRAQBDGT-PBHICJAKSA-N 2 1 382.346 3.582 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1Br ZINC000124381036 889614681 /nfs/dbraw/zinc/61/46/81/889614681.db2.gz DAFOHDODVWFVRS-CQSZACIVSA-N 2 1 386.353 3.512 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccc(C)cc1 ZINC000124998321 889841950 /nfs/dbraw/zinc/84/19/50/889841950.db2.gz NDVYNFZPPWWHGT-HSZRJFAPSA-N 2 1 395.547 3.897 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCc2cccc(C[N@H+](C)CC)c2)c1 ZINC000064229376 889875808 /nfs/dbraw/zinc/87/58/08/889875808.db2.gz MJAIIEZEFXBBQI-UHFFFAOYSA-N 2 1 382.552 3.589 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644651553 913429986 /nfs/dbraw/zinc/42/99/86/913429986.db2.gz ZCTSSRYRKKEJGC-RPWUZVMVSA-N 2 1 396.575 3.881 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870912415 890574586 /nfs/dbraw/zinc/57/45/86/890574586.db2.gz HNFKEIVGQZVCSM-KNEBKQPDSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870912415 890574590 /nfs/dbraw/zinc/57/45/90/890574590.db2.gz HNFKEIVGQZVCSM-KNEBKQPDSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870912417 890575290 /nfs/dbraw/zinc/57/52/90/890575290.db2.gz HNFKEIVGQZVCSM-LRHNDGHRSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870912417 890575294 /nfs/dbraw/zinc/57/52/94/890575294.db2.gz HNFKEIVGQZVCSM-LRHNDGHRSA-N 2 1 381.923 3.637 20 0 GHADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000870989543 890597402 /nfs/dbraw/zinc/59/74/02/890597402.db2.gz KLQYAMINBCHFBO-WZONZLPQSA-N 2 1 386.584 3.717 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)C1 ZINC000533547967 890821692 /nfs/dbraw/zinc/82/16/92/890821692.db2.gz JPOQUTKVPTVHKR-AQNXPRMDSA-N 2 1 397.563 3.694 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3c2c(F)ccc3F)c2cccs2)CC1 ZINC000533581832 890894236 /nfs/dbraw/zinc/89/42/36/890894236.db2.gz HGILRNVKEQMCAR-MSOLQXFVSA-N 2 1 377.504 3.592 20 0 GHADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000871786132 891010144 /nfs/dbraw/zinc/01/01/44/891010144.db2.gz RATJJTPMAMTKMM-DITUJHHDSA-N 2 1 389.887 3.822 20 0 GHADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000871786132 891010162 /nfs/dbraw/zinc/01/01/62/891010162.db2.gz RATJJTPMAMTKMM-DITUJHHDSA-N 2 1 389.887 3.822 20 0 GHADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128121156 891427367 /nfs/dbraw/zinc/42/73/67/891427367.db2.gz FAYFEJXAZXTYGC-VQTJNVASSA-N 2 1 385.577 3.517 20 0 GHADMP C[C@H]1[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC000813324654 891487916 /nfs/dbraw/zinc/48/79/16/891487916.db2.gz QJVAPAJIELGTTA-TYBLODHISA-N 2 1 393.575 3.660 20 0 GHADMP C[C@H]1[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC000813324654 891487926 /nfs/dbraw/zinc/48/79/26/891487926.db2.gz QJVAPAJIELGTTA-TYBLODHISA-N 2 1 393.575 3.660 20 0 GHADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497506244 891755785 /nfs/dbraw/zinc/75/57/85/891755785.db2.gz CIBZEFOUCMBQAA-UBLGTCEWSA-N 2 1 379.495 3.592 20 0 GHADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000813861322 892032739 /nfs/dbraw/zinc/03/27/39/892032739.db2.gz QTXHKCFCHSBCPP-WTOYTKOKSA-N 2 1 376.516 3.526 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000261788431 892114972 /nfs/dbraw/zinc/11/49/72/892114972.db2.gz KCJOTVDOHOWZHZ-WRWLIDTKSA-N 2 1 397.485 3.594 20 0 GHADMP C[NH2+]CCC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000261986738 892187588 /nfs/dbraw/zinc/18/75/88/892187588.db2.gz KEBGOGRNRDCMSU-UHFFFAOYSA-N 2 1 377.273 3.872 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000611626157 892278910 /nfs/dbraw/zinc/27/89/10/892278910.db2.gz ZMVZFHTUQLPVAV-QHCPKHFHSA-N 2 1 394.563 3.515 20 0 GHADMP CC(C)C[C@@H]1CC(=O)N(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000814225643 892417673 /nfs/dbraw/zinc/41/76/73/892417673.db2.gz WCGBVBGTNBYSQS-JOCHJYFZSA-N 2 1 383.580 3.827 20 0 GHADMP CC(C)[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000497821668 892504979 /nfs/dbraw/zinc/50/49/79/892504979.db2.gz JIFTUEJNDDASJK-GOTSBHOMSA-N 2 1 384.543 3.886 20 0 GHADMP C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508695120 892654289 /nfs/dbraw/zinc/65/42/89/892654289.db2.gz HMXLEAKZKBIXGI-SJLPKXTDSA-N 2 1 393.453 3.979 20 0 GHADMP C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508695116 892654430 /nfs/dbraw/zinc/65/44/30/892654430.db2.gz HMXLEAKZKBIXGI-AEFFLSMTSA-N 2 1 393.453 3.979 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000508709216 892801812 /nfs/dbraw/zinc/80/18/12/892801812.db2.gz GQOPFFKNXBISKH-ZFGGDYGUSA-N 2 1 377.576 3.933 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723379 892988298 /nfs/dbraw/zinc/98/82/98/892988298.db2.gz WHXHSSVWOCDXFV-QPPBQGQZSA-N 2 1 393.575 3.519 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674198 893050537 /nfs/dbraw/zinc/05/05/37/893050537.db2.gz OBUSUCRNCFERHQ-RTBURBONSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674198 893050557 /nfs/dbraw/zinc/05/05/57/893050557.db2.gz OBUSUCRNCFERHQ-RTBURBONSA-N 2 1 376.545 3.551 20 0 GHADMP [NH3+]C1(CC(=O)Nc2ccnn2C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000876555948 893226484 /nfs/dbraw/zinc/22/64/84/893226484.db2.gz IBIVARUKJDCPIK-UHFFFAOYSA-N 2 1 395.551 3.710 20 0 GHADMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)CC1 ZINC000428689652 893243295 /nfs/dbraw/zinc/24/32/95/893243295.db2.gz CONTXZGROYBXGA-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000428689652 893243314 /nfs/dbraw/zinc/24/33/14/893243314.db2.gz CONTXZGROYBXGA-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000428689652 893243327 /nfs/dbraw/zinc/24/33/27/893243327.db2.gz CONTXZGROYBXGA-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000536658560 893438263 /nfs/dbraw/zinc/43/82/63/893438263.db2.gz GJUTWKCEDMAWOU-NQIIRXRSSA-N 2 1 383.536 3.974 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000536658560 893438274 /nfs/dbraw/zinc/43/82/74/893438274.db2.gz GJUTWKCEDMAWOU-NQIIRXRSSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000536658560 893438287 /nfs/dbraw/zinc/43/82/87/893438287.db2.gz GJUTWKCEDMAWOU-NQIIRXRSSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@H]1C ZINC000536658560 893438294 /nfs/dbraw/zinc/43/82/94/893438294.db2.gz GJUTWKCEDMAWOU-NQIIRXRSSA-N 2 1 383.536 3.974 20 0 GHADMP Cc1ccccc1[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000934279269 893520071 /nfs/dbraw/zinc/52/00/71/893520071.db2.gz ALQXZLJFFVNGQS-HXUWFJFHSA-N 2 1 385.596 3.753 20 0 GHADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc2cc[nH]c21 ZINC000877199310 893531333 /nfs/dbraw/zinc/53/13/33/893531333.db2.gz MINROBVMLHDBNW-UHFFFAOYSA-N 2 1 376.504 3.514 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000459444019 893536875 /nfs/dbraw/zinc/53/68/75/893536875.db2.gz QKQPKVDCTOTURJ-UNMCSNQZSA-N 3 1 378.564 3.941 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643975 893675358 /nfs/dbraw/zinc/67/53/58/893675358.db2.gz BSHXBKAEEXXWSP-UIFIKXQLSA-N 2 1 388.939 3.722 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379643975 893675370 /nfs/dbraw/zinc/67/53/70/893675370.db2.gz BSHXBKAEEXXWSP-UIFIKXQLSA-N 2 1 388.939 3.722 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878020188 893952481 /nfs/dbraw/zinc/95/24/81/893952481.db2.gz IGXBMOZEMYGBOS-SGKWCMOWSA-N 2 1 385.596 3.787 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC000878020188 893952490 /nfs/dbraw/zinc/95/24/90/893952490.db2.gz IGXBMOZEMYGBOS-SGKWCMOWSA-N 2 1 385.596 3.787 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000459752227 894147528 /nfs/dbraw/zinc/14/75/28/894147528.db2.gz BGNWESZNMQBWDP-GOSISDBHSA-N 2 1 389.584 3.627 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000536999635 894204382 /nfs/dbraw/zinc/20/43/82/894204382.db2.gz VNKBAXLHMNJVID-HXUWFJFHSA-N 2 1 397.485 3.689 20 0 GHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049291 894267100 /nfs/dbraw/zinc/26/71/00/894267100.db2.gz APUCWSPPXXSERG-CTNGQTDRSA-N 2 1 387.568 3.603 20 0 GHADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000537049291 894267112 /nfs/dbraw/zinc/26/71/12/894267112.db2.gz APUCWSPPXXSERG-CTNGQTDRSA-N 2 1 387.568 3.603 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000564319143 894860325 /nfs/dbraw/zinc/86/03/25/894860325.db2.gz CZEFGHCGZPPCCB-KBMXLJTQSA-N 2 1 398.391 3.991 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000564319143 894860330 /nfs/dbraw/zinc/86/03/30/894860330.db2.gz CZEFGHCGZPPCCB-KBMXLJTQSA-N 2 1 398.391 3.991 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000645467496 913918981 /nfs/dbraw/zinc/91/89/81/913918981.db2.gz CLTODBXUELKCTH-TUACAJSNSA-N 2 1 387.531 3.658 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000645467496 913918996 /nfs/dbraw/zinc/91/89/96/913918996.db2.gz CLTODBXUELKCTH-TUACAJSNSA-N 2 1 387.531 3.658 20 0 GHADMP Cc1cccc2c(C[NH+]3CCC4(C[C@@H]([N@@H+](C)Cc5ccco5)CO4)CC3)[nH]nc21 ZINC001137144647 895070081 /nfs/dbraw/zinc/07/00/81/895070081.db2.gz BGLMPBNIAYYXEN-GOSISDBHSA-N 2 1 394.519 3.720 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC(C)C)c(C)c3)CC2)CC1 ZINC000564736150 895214716 /nfs/dbraw/zinc/21/47/16/895214716.db2.gz ILMGXOHBAUADOC-UHFFFAOYSA-N 2 1 387.568 3.917 20 0 GHADMP COc1ccc([C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C2CC2)c(F)c1 ZINC000564818010 895266325 /nfs/dbraw/zinc/26/63/25/895266325.db2.gz BRVNQLPGNAVZKZ-QFIPXVFZSA-N 2 1 384.499 3.951 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3c(Cl)cccc3Cl)CC2)CC1 ZINC000565178456 895444226 /nfs/dbraw/zinc/44/42/26/895444226.db2.gz QQIVZAXVCIDMAD-UHFFFAOYSA-N 2 1 398.378 3.806 20 0 GHADMP CC(C)(O)[C@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](C(C)(C)O)C3)c2)C1 ZINC000880148658 895541281 /nfs/dbraw/zinc/54/12/81/895541281.db2.gz IWQKWLGSZQELHC-OALUTQOASA-N 2 1 394.987 3.526 20 0 GHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000565709204 895826310 /nfs/dbraw/zinc/82/63/10/895826310.db2.gz SANNEQVDQQJCIL-DHJUGAMNSA-N 2 1 388.502 3.759 20 0 GHADMP C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000565709204 895826314 /nfs/dbraw/zinc/82/63/14/895826314.db2.gz SANNEQVDQQJCIL-DHJUGAMNSA-N 2 1 388.502 3.759 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001136015600 895911837 /nfs/dbraw/zinc/91/18/37/895911837.db2.gz URKTVXGNKYVQJM-UHFFFAOYSA-N 2 1 399.966 3.792 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001136015600 895911856 /nfs/dbraw/zinc/91/18/56/895911856.db2.gz URKTVXGNKYVQJM-UHFFFAOYSA-N 2 1 399.966 3.792 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@H]21 ZINC000565833394 895918422 /nfs/dbraw/zinc/91/84/22/895918422.db2.gz BCNWCEODCCYAPN-BHIYHBOVSA-N 2 1 378.442 3.509 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000566286918 896217063 /nfs/dbraw/zinc/21/70/63/896217063.db2.gz UCEUSLCVSBYYPN-IRLDBZIGSA-N 2 1 397.607 3.955 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000566302729 896225655 /nfs/dbraw/zinc/22/56/55/896225655.db2.gz OZPDYKQPMNIOIK-QUCCMNQESA-N 2 1 391.968 3.716 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000566414775 896296990 /nfs/dbraw/zinc/29/69/90/896296990.db2.gz RUDKDSPNMDXKRV-NRFANRHFSA-N 2 1 385.939 3.724 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)c2)cc1 ZINC000566556782 896376673 /nfs/dbraw/zinc/37/66/73/896376673.db2.gz BLDLQGCYLRDBNJ-SFHVURJKSA-N 2 1 393.531 3.912 20 0 GHADMP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000819329722 896573523 /nfs/dbraw/zinc/57/35/23/896573523.db2.gz WGAKZPYEVJDCCI-GLCCWIKHSA-N 2 1 398.522 3.741 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000819366470 896641985 /nfs/dbraw/zinc/64/19/85/896641985.db2.gz QNNGPJRIOFSVMC-DYVFJYSZSA-N 2 1 389.765 3.632 20 0 GHADMP C[NH+](C)CC1(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCCC1 ZINC000567417162 897137973 /nfs/dbraw/zinc/13/79/73/897137973.db2.gz YCKMQPXZBWIKLM-QHCPKHFHSA-N 2 1 383.580 3.623 20 0 GHADMP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826296226 897166746 /nfs/dbraw/zinc/16/67/46/897166746.db2.gz NZWYFARUWCNHEX-SFHVURJKSA-N 2 1 390.535 3.533 20 0 GHADMP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826296225 897167024 /nfs/dbraw/zinc/16/70/24/897167024.db2.gz NZWYFARUWCNHEX-GOSISDBHSA-N 2 1 390.535 3.533 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000567581713 897269670 /nfs/dbraw/zinc/26/96/70/897269670.db2.gz NCNCHTDTTYVXKH-BUUDZMLXSA-N 2 1 394.559 3.536 20 0 GHADMP [NH3+][C@@H](CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CC1CCCCC1 ZINC000567801956 897408085 /nfs/dbraw/zinc/40/80/85/897408085.db2.gz HVRILLDPBAIMDZ-GOTSBHOMSA-N 2 1 385.596 3.745 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)s1 ZINC000568045583 897555676 /nfs/dbraw/zinc/55/56/76/897555676.db2.gz FTJUPTLWQPLVSW-ICSRJNTNSA-N 2 1 377.598 3.600 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)s1 ZINC000568045583 897555688 /nfs/dbraw/zinc/55/56/88/897555688.db2.gz FTJUPTLWQPLVSW-ICSRJNTNSA-N 2 1 377.598 3.600 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)s1 ZINC000568045583 897555694 /nfs/dbraw/zinc/55/56/94/897555694.db2.gz FTJUPTLWQPLVSW-ICSRJNTNSA-N 2 1 377.598 3.600 20 0 GHADMP C[N@H+]1CC[C@H](Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000568064110 897566379 /nfs/dbraw/zinc/56/63/79/897566379.db2.gz NFEDQAXEYPFSCY-FSSWDIPSSA-N 2 1 384.568 3.786 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4ccccc4F)n3)CC2)C1 ZINC000568274574 897708363 /nfs/dbraw/zinc/70/83/63/897708363.db2.gz HBWQKMYUBZDFRS-HNAYVOBHSA-N 2 1 375.513 3.668 20 0 GHADMP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)CC1 ZINC001136447310 897893037 /nfs/dbraw/zinc/89/30/37/897893037.db2.gz OZVOHFKLEAKQGM-FQEVSTJZSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)CC1 ZINC001136447310 897893045 /nfs/dbraw/zinc/89/30/45/897893045.db2.gz OZVOHFKLEAKQGM-FQEVSTJZSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001136447310 897893050 /nfs/dbraw/zinc/89/30/50/897893050.db2.gz OZVOHFKLEAKQGM-FQEVSTJZSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001136447310 897893061 /nfs/dbraw/zinc/89/30/61/897893061.db2.gz OZVOHFKLEAKQGM-FQEVSTJZSA-N 2 1 375.532 3.513 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000568624561 897992503 /nfs/dbraw/zinc/99/25/03/897992503.db2.gz OWPMXWQPESQEIH-MBSDFSHPSA-N 2 1 377.532 3.564 20 0 GHADMP O=C(NC1CCCCC1)N1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000568856431 898169772 /nfs/dbraw/zinc/16/97/72/898169772.db2.gz AHAVHGZUUYIJLW-YADHBBJMSA-N 2 1 384.568 3.576 20 0 GHADMP COCCOCc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000289552253 914235629 /nfs/dbraw/zinc/23/56/29/914235629.db2.gz GHJMWJBKBHWFTH-UHFFFAOYSA-N 2 1 383.536 3.762 20 0 GHADMP C[C@@H]1CC2(C[NH+]1CCCCC[N@@H+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646098260 914250643 /nfs/dbraw/zinc/25/06/43/914250643.db2.gz SKTCXRZSZGQMBK-OYRHEFFESA-N 2 1 378.601 3.939 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CCCCC[NH+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646098260 914250652 /nfs/dbraw/zinc/25/06/52/914250652.db2.gz SKTCXRZSZGQMBK-OYRHEFFESA-N 2 1 378.601 3.939 20 0 GHADMP C[C@@H]1CC2(C[N@@H+]1CCCCC[NH+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646098260 914250664 /nfs/dbraw/zinc/25/06/64/914250664.db2.gz SKTCXRZSZGQMBK-OYRHEFFESA-N 2 1 378.601 3.939 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000155205904 898416880 /nfs/dbraw/zinc/41/68/80/898416880.db2.gz DTYKXJGLZRRJQC-WMZHIEFXSA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000155205904 898416884 /nfs/dbraw/zinc/41/68/84/898416884.db2.gz DTYKXJGLZRRJQC-WMZHIEFXSA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000155205904 898416887 /nfs/dbraw/zinc/41/68/87/898416887.db2.gz DTYKXJGLZRRJQC-WMZHIEFXSA-N 2 1 380.532 3.887 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000155205904 898416895 /nfs/dbraw/zinc/41/68/95/898416895.db2.gz DTYKXJGLZRRJQC-WMZHIEFXSA-N 2 1 380.532 3.887 20 0 GHADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000569222009 898443130 /nfs/dbraw/zinc/44/31/30/898443130.db2.gz LNMASPSSWTXFEK-VWPQPMDRSA-N 2 1 383.580 3.579 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000111814091 898832193 /nfs/dbraw/zinc/83/21/93/898832193.db2.gz JYIFBVRVTMTROW-LJQANCHMSA-N 2 1 386.584 3.591 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767383 898936501 /nfs/dbraw/zinc/93/65/01/898936501.db2.gz QIOWHTTXDNQMIY-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767383 898936512 /nfs/dbraw/zinc/93/65/12/898936512.db2.gz QIOWHTTXDNQMIY-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767383 898936517 /nfs/dbraw/zinc/93/65/17/898936517.db2.gz QIOWHTTXDNQMIY-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3/C=C/c3ccccc3)CC2)CC1 ZINC000569824565 898970399 /nfs/dbraw/zinc/97/03/99/898970399.db2.gz UVKREFRYTLPMAQ-LTDXDOBXSA-N 2 1 395.591 3.887 20 0 GHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(C)cc3C[NH+](C)C)CC2)cs1 ZINC000113912427 899042935 /nfs/dbraw/zinc/04/29/35/899042935.db2.gz IOYUDGQGWAVEKJ-UHFFFAOYSA-N 2 1 386.565 3.672 20 0 GHADMP CC(C)(C)OC(=O)C1([NH2+][C@H]2CCc3c(Cl)cccc3C2)CCC([NH3+])CC1 ZINC001171018619 899054738 /nfs/dbraw/zinc/05/47/38/899054738.db2.gz UUSVNQNHUSNZEQ-TZQQIIETSA-N 2 1 378.944 3.769 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c2ccccc2)cc1 ZINC000570037764 899084826 /nfs/dbraw/zinc/08/48/26/899084826.db2.gz XOKZHBCSOJCDIQ-ZFFYZDHPSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c2ccccc2)cc1 ZINC000570037764 899084837 /nfs/dbraw/zinc/08/48/37/899084837.db2.gz XOKZHBCSOJCDIQ-ZFFYZDHPSA-N 2 1 394.559 3.678 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331985768 899318744 /nfs/dbraw/zinc/31/87/44/899318744.db2.gz VZIFYLAPYYDTBS-ROUUACIJSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331985768 899318753 /nfs/dbraw/zinc/31/87/53/899318753.db2.gz VZIFYLAPYYDTBS-ROUUACIJSA-N 2 1 396.938 3.526 20 0 GHADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570537516 899368753 /nfs/dbraw/zinc/36/87/53/899368753.db2.gz INDRKXPWLSTRHN-IBGZPJMESA-N 2 1 378.545 3.859 20 0 GHADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000570537516 899368768 /nfs/dbraw/zinc/36/87/68/899368768.db2.gz INDRKXPWLSTRHN-IBGZPJMESA-N 2 1 378.545 3.859 20 0 GHADMP Cn1c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2cccc(Cl)c21 ZINC000570562440 899392070 /nfs/dbraw/zinc/39/20/70/899392070.db2.gz KNHPXQMDABNETN-DYESRHJHSA-N 2 1 382.895 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000824270527 899477675 /nfs/dbraw/zinc/47/76/75/899477675.db2.gz XQABYFHYMKYHAF-UHFFFAOYSA-N 2 1 394.563 3.877 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H]1c1ccccc1 ZINC000570717939 899529941 /nfs/dbraw/zinc/52/99/41/899529941.db2.gz IASPGVZBGXJMCK-WXFUMESZSA-N 2 1 376.544 3.939 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H]1c1ccccc1 ZINC000570717939 899529948 /nfs/dbraw/zinc/52/99/48/899529948.db2.gz IASPGVZBGXJMCK-WXFUMESZSA-N 2 1 376.544 3.939 20 0 GHADMP Cc1c2ccc(F)cc2sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000570877582 899660549 /nfs/dbraw/zinc/66/05/49/899660549.db2.gz TXBDECBXOBHOKN-UHFFFAOYSA-N 2 1 384.480 3.748 20 0 GHADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824585286 899724530 /nfs/dbraw/zinc/72/45/30/899724530.db2.gz PEGRWOFTRREUFZ-IIBYNOLFSA-N 2 1 376.508 3.669 20 0 GHADMP Cc1cccn2c(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cnc12 ZINC001136962934 899875241 /nfs/dbraw/zinc/87/52/41/899875241.db2.gz FFCJHQLNTUOFLG-UHFFFAOYSA-N 2 1 375.520 3.526 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824947434 899901173 /nfs/dbraw/zinc/90/11/73/899901173.db2.gz NPUKYDXREMLNEO-MSOLQXFVSA-N 2 1 390.535 3.949 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000333108597 899968536 /nfs/dbraw/zinc/96/85/36/899968536.db2.gz GASUAQHDQFNHFG-IIBYNOLFSA-N 2 1 398.576 3.575 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC001137025465 900122637 /nfs/dbraw/zinc/12/26/37/900122637.db2.gz GRWKNNASKSKIBF-WDJPJFJCSA-N 2 1 377.532 3.844 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC001137025465 900122645 /nfs/dbraw/zinc/12/26/45/900122645.db2.gz GRWKNNASKSKIBF-WDJPJFJCSA-N 2 1 377.532 3.844 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC001137025465 900122650 /nfs/dbraw/zinc/12/26/50/900122650.db2.gz GRWKNNASKSKIBF-WDJPJFJCSA-N 2 1 377.532 3.844 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@@H]21 ZINC001137025465 900122655 /nfs/dbraw/zinc/12/26/55/900122655.db2.gz GRWKNNASKSKIBF-WDJPJFJCSA-N 2 1 377.532 3.844 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4[nH]cnc4c3)C[C@H]21 ZINC001137045623 900205414 /nfs/dbraw/zinc/20/54/14/900205414.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045623 900205423 /nfs/dbraw/zinc/20/54/23/900205423.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4nc[nH]c4c3)C[C@H]21 ZINC001137045623 900205437 /nfs/dbraw/zinc/20/54/37/900205437.db2.gz PKKCGIABJZDEMT-KKLQWCBXSA-N 2 1 375.520 3.690 20 0 GHADMP Fc1ccc(OCc2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000572763095 900271383 /nfs/dbraw/zinc/27/13/83/900271383.db2.gz OOYMVZSUXYZHAM-MRXNPFEDSA-N 2 1 375.513 3.683 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000574020636 900743411 /nfs/dbraw/zinc/74/34/11/900743411.db2.gz QPYVPZFLBBUXCP-UXHICEINSA-N 2 1 395.551 3.908 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000574034053 900753679 /nfs/dbraw/zinc/75/36/79/900753679.db2.gz XDEOYTAVSXWJDW-NNMXDRDESA-N 2 1 388.577 3.777 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000574034053 900753686 /nfs/dbraw/zinc/75/36/86/900753686.db2.gz XDEOYTAVSXWJDW-NNMXDRDESA-N 2 1 388.577 3.777 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C3(CCC3)C2)cc1 ZINC000886164930 900853319 /nfs/dbraw/zinc/85/33/19/900853319.db2.gz YEVDOFLXIBDJME-FCHUYYIVSA-N 2 1 384.564 3.607 20 0 GHADMP CC[NH+](CC)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462523 900896211 /nfs/dbraw/zinc/89/62/11/900896211.db2.gz YCZOPYYVDDPTMN-VAMGGRTRSA-N 2 1 397.604 3.645 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462523 900896216 /nfs/dbraw/zinc/89/62/16/900896216.db2.gz YCZOPYYVDDPTMN-VAMGGRTRSA-N 2 1 397.604 3.645 20 0 GHADMP COc1c(C)cnc(CN(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1C ZINC000574716256 900977323 /nfs/dbraw/zinc/97/73/23/900977323.db2.gz WFIOXPAHGZBCAH-ICSRJNTNSA-N 2 1 396.535 3.511 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)s2)cc1OC ZINC001144068250 901012808 /nfs/dbraw/zinc/01/28/08/901012808.db2.gz SXJDVCMIFSDRDM-QGZVFWFLSA-N 2 1 397.500 3.876 20 0 GHADMP COc1ccc(-c2ncc(CN3CC[C@@H](Oc4ccncc4)C3)s2)cc1OC ZINC001144068250 901012823 /nfs/dbraw/zinc/01/28/23/901012823.db2.gz SXJDVCMIFSDRDM-QGZVFWFLSA-N 2 1 397.500 3.876 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000574846426 901032914 /nfs/dbraw/zinc/03/29/14/901032914.db2.gz PAKKQVQMUHUKLG-IBGZPJMESA-N 2 1 399.502 3.740 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(C[NH+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886822110 901287179 /nfs/dbraw/zinc/28/71/79/901287179.db2.gz MICWHYDLPNFDQL-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822110 901287195 /nfs/dbraw/zinc/28/71/95/901287195.db2.gz MICWHYDLPNFDQL-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(C[NH+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886822110 901287212 /nfs/dbraw/zinc/28/72/12/901287212.db2.gz MICWHYDLPNFDQL-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886827704 901289128 /nfs/dbraw/zinc/28/91/28/901289128.db2.gz QCBVXZHUVVSFKW-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886827704 901289146 /nfs/dbraw/zinc/28/91/46/901289146.db2.gz QCBVXZHUVVSFKW-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)ccc1C[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886827704 901289165 /nfs/dbraw/zinc/28/91/65/901289165.db2.gz QCBVXZHUVVSFKW-WAPCQROESA-N 2 1 384.564 3.688 20 0 GHADMP CC[N@H+](Cc1cn(C)nc1-c1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818756 901568165 /nfs/dbraw/zinc/56/81/65/901568165.db2.gz XLFJAQQWBPVALB-NRFANRHFSA-N 2 1 389.547 3.826 20 0 GHADMP CC[NH+](Cc1cn(C)nc1-c1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818756 901568178 /nfs/dbraw/zinc/56/81/78/901568178.db2.gz XLFJAQQWBPVALB-NRFANRHFSA-N 2 1 389.547 3.826 20 0 GHADMP CC[NH+](Cc1cn(C)nc1-c1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818756 901568193 /nfs/dbraw/zinc/56/81/93/901568193.db2.gz XLFJAQQWBPVALB-NRFANRHFSA-N 2 1 389.547 3.826 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000576100395 901682270 /nfs/dbraw/zinc/68/22/70/901682270.db2.gz LUSQFOGZZWGYBE-GHTZIAJQSA-N 2 1 388.577 3.790 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000576179501 901762715 /nfs/dbraw/zinc/76/27/15/901762715.db2.gz MXXURZMZQNRHNU-PVIBPIFHSA-N 2 1 396.600 3.955 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)nc1 ZINC001144423702 902102175 /nfs/dbraw/zinc/10/21/75/902102175.db2.gz LXPCWPVEQJFMOZ-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000576703105 902203681 /nfs/dbraw/zinc/20/36/81/902203681.db2.gz APZVXDKBWVGYFZ-UWVAXJGDSA-N 2 1 378.944 3.719 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000576914936 902354197 /nfs/dbraw/zinc/35/41/97/902354197.db2.gz NUKKEJQITKXYMK-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000576914936 902354201 /nfs/dbraw/zinc/35/42/01/902354201.db2.gz NUKKEJQITKXYMK-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000576914936 902354213 /nfs/dbraw/zinc/35/42/13/902354213.db2.gz NUKKEJQITKXYMK-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc(N2CCCC2)n1 ZINC000577029011 902445717 /nfs/dbraw/zinc/44/57/17/902445717.db2.gz KHZRMAZQKFZNIL-UHFFFAOYSA-N 2 1 396.554 3.926 20 0 GHADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000577059839 902475614 /nfs/dbraw/zinc/47/56/14/902475614.db2.gz AVMSFSXXASWRKK-SFHVURJKSA-N 2 1 390.597 3.823 20 0 GHADMP COc1cc(C[N@H+](C)CCC[NH3+])cc(Br)c1OCc1ccccc1 ZINC000577109025 902509336 /nfs/dbraw/zinc/50/93/36/902509336.db2.gz FINHQZGKAHURHA-UHFFFAOYSA-N 2 1 393.325 3.817 20 0 GHADMP COc1cc(C[N@@H+](C)CCC[NH3+])cc(Br)c1OCc1ccccc1 ZINC000577109025 902509341 /nfs/dbraw/zinc/50/93/41/902509341.db2.gz FINHQZGKAHURHA-UHFFFAOYSA-N 2 1 393.325 3.817 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ncn3ccccc13)CC2 ZINC001144619174 902513733 /nfs/dbraw/zinc/51/37/33/902513733.db2.gz SLTOVWXQYWHTII-OAQYLSRUSA-N 2 1 390.531 3.590 20 0 GHADMP C[C@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000845953409 902527878 /nfs/dbraw/zinc/52/78/78/902527878.db2.gz HUFUAGCYJYFMSF-BMHOQUIDSA-N 2 1 379.589 3.922 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846011092 902590945 /nfs/dbraw/zinc/59/09/45/902590945.db2.gz KJMQAAMVIKIZHV-OAQYLSRUSA-N 2 1 382.895 3.713 20 0 GHADMP CC[NH+](CC)CCOCC[N@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1 ZINC000290357414 914641590 /nfs/dbraw/zinc/64/15/90/914641590.db2.gz MLMAWWDDXDKFQZ-SFHVURJKSA-N 2 1 391.581 3.557 20 0 GHADMP CC[NH+](CC)CCOCC[N@@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1 ZINC000290357414 914641595 /nfs/dbraw/zinc/64/15/95/914641595.db2.gz MLMAWWDDXDKFQZ-SFHVURJKSA-N 2 1 391.581 3.557 20 0 GHADMP C[N@H+](Cc1ccccc1NC(=O)CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000263898050 902658482 /nfs/dbraw/zinc/65/84/82/902658482.db2.gz IOWQMSWGAFAXKX-UHFFFAOYSA-N 2 1 387.568 3.892 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)CCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000263898050 902658486 /nfs/dbraw/zinc/65/84/86/902658486.db2.gz IOWQMSWGAFAXKX-UHFFFAOYSA-N 2 1 387.568 3.892 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC000779002576 902692550 /nfs/dbraw/zinc/69/25/50/902692550.db2.gz HPTWPZPPBGYFDT-RTWAWAEBSA-N 2 1 387.568 3.854 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000600845685 902996827 /nfs/dbraw/zinc/99/68/27/902996827.db2.gz IPHRZRQSXFYAKU-SIKLNZKXSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000600845685 902996834 /nfs/dbraw/zinc/99/68/34/902996834.db2.gz IPHRZRQSXFYAKU-SIKLNZKXSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000600845685 902996845 /nfs/dbraw/zinc/99/68/45/902996845.db2.gz IPHRZRQSXFYAKU-SIKLNZKXSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@@H]3CCC(C)C)CC2)CC1 ZINC000577767134 903168516 /nfs/dbraw/zinc/16/85/16/903168516.db2.gz SYJKZNPFBUNFSI-DENIHFKCSA-N 2 1 377.617 3.904 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600998816 903206707 /nfs/dbraw/zinc/20/67/07/903206707.db2.gz BAJBKHSPTRNHDV-DENIHFKCSA-N 2 1 399.966 3.624 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600998816 903206718 /nfs/dbraw/zinc/20/67/18/903206718.db2.gz BAJBKHSPTRNHDV-DENIHFKCSA-N 2 1 399.966 3.624 20 0 GHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846837599 903258387 /nfs/dbraw/zinc/25/83/87/903258387.db2.gz XXJXXSORFHUGGS-UHFFFAOYSA-N 2 1 395.378 3.999 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846837599 903258404 /nfs/dbraw/zinc/25/84/04/903258404.db2.gz XXJXXSORFHUGGS-UHFFFAOYSA-N 2 1 395.378 3.999 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000577850138 903268600 /nfs/dbraw/zinc/26/86/00/903268600.db2.gz XNHMHWRLEFUSOE-MBSDFSHPSA-N 2 1 390.531 3.776 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000577850138 903268609 /nfs/dbraw/zinc/26/86/09/903268609.db2.gz XNHMHWRLEFUSOE-MBSDFSHPSA-N 2 1 390.531 3.776 20 0 GHADMP CN1CC[NH+](CCCCCCCCC[N@@H+]2CCN(C)C(C)(C)C2)CC1(C)C ZINC000846890473 903290609 /nfs/dbraw/zinc/29/06/09/903290609.db2.gz STABADLEYRQYQA-UHFFFAOYSA-N 2 1 380.665 3.769 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846926397 903310297 /nfs/dbraw/zinc/31/02/97/903310297.db2.gz WHWGLQITVFFEBL-RBUKOAKNSA-N 2 1 390.572 3.712 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846926397 903310306 /nfs/dbraw/zinc/31/03/06/903310306.db2.gz WHWGLQITVFFEBL-RBUKOAKNSA-N 2 1 390.572 3.712 20 0 GHADMP O=C1NCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1CC1CCCCC1 ZINC001171266439 903450953 /nfs/dbraw/zinc/45/09/53/903450953.db2.gz GQYJJKVIXWCFEE-HSZRJFAPSA-N 2 1 383.580 3.943 20 0 GHADMP O=C1NCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1CC1CCCCC1 ZINC001171266439 903450958 /nfs/dbraw/zinc/45/09/58/903450958.db2.gz GQYJJKVIXWCFEE-HSZRJFAPSA-N 2 1 383.580 3.943 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000265006575 903551924 /nfs/dbraw/zinc/55/19/24/903551924.db2.gz WFGMKMHAWHFOTD-MRXNPFEDSA-N 2 1 395.576 3.808 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Br)cn1 ZINC000578293819 903703083 /nfs/dbraw/zinc/70/30/83/903703083.db2.gz IBOXROWSXSILMD-AWEZNQCLSA-N 2 1 378.314 3.635 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724468 904082610 /nfs/dbraw/zinc/08/26/10/904082610.db2.gz SNNIXEZQTGXHBL-FYYLOGMGSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724468 904082624 /nfs/dbraw/zinc/08/26/24/904082624.db2.gz SNNIXEZQTGXHBL-FYYLOGMGSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724468 904082638 /nfs/dbraw/zinc/08/26/38/904082638.db2.gz SNNIXEZQTGXHBL-FYYLOGMGSA-N 2 1 385.596 3.939 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3c(C)cc(C)cc3C)C2)CC1 ZINC000578724468 904082653 /nfs/dbraw/zinc/08/26/53/904082653.db2.gz SNNIXEZQTGXHBL-FYYLOGMGSA-N 2 1 385.596 3.939 20 0 GHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000578769293 904106789 /nfs/dbraw/zinc/10/67/89/904106789.db2.gz PMATWKQMHJKWIN-JKSUJKDBSA-N 2 1 378.442 3.917 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000578927762 904231917 /nfs/dbraw/zinc/23/19/17/904231917.db2.gz LNELNXYUOBGAEL-YQVWRLOYSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000578927762 904231930 /nfs/dbraw/zinc/23/19/30/904231930.db2.gz LNELNXYUOBGAEL-YQVWRLOYSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000578927762 904231940 /nfs/dbraw/zinc/23/19/40/904231940.db2.gz LNELNXYUOBGAEL-YQVWRLOYSA-N 2 1 380.602 3.551 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001299329368 904321843 /nfs/dbraw/zinc/32/18/43/904321843.db2.gz LQLWAFLQQXTRSR-GOSISDBHSA-N 2 1 376.504 3.637 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001299329368 904321859 /nfs/dbraw/zinc/32/18/59/904321859.db2.gz LQLWAFLQQXTRSR-GOSISDBHSA-N 2 1 376.504 3.637 20 0 GHADMP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171357888 904348663 /nfs/dbraw/zinc/34/86/63/904348663.db2.gz QPQLLBDPWCRSJB-LJQANCHMSA-N 2 1 386.486 3.867 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cnn1-c1ccccc1 ZINC000773068642 904411966 /nfs/dbraw/zinc/41/19/66/904411966.db2.gz KZHXSDHZZKYVSM-PDIWNELESA-N 2 1 382.552 3.599 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000773093309 904426790 /nfs/dbraw/zinc/42/67/90/904426790.db2.gz CTKNRPQOJKKAMC-KRWDZBQOSA-N 2 1 393.547 3.583 20 0 GHADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1c1ccccc1Cl ZINC000543770029 914840014 /nfs/dbraw/zinc/84/00/14/914840014.db2.gz NLNKAGIJQZSOGK-QGZVFWFLSA-N 2 1 375.944 3.832 20 0 GHADMP Cc1nc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)oc1-c1ccc(Cl)cc1 ZINC000579639251 904761202 /nfs/dbraw/zinc/76/12/02/904761202.db2.gz GHGXNVFVLQJIEQ-UHFFFAOYSA-N 2 1 378.948 3.619 20 0 GHADMP Cc1nc(C[N@H+](C)CCCN(C)CC[NH+](C)C)oc1-c1ccc(Cl)cc1 ZINC000579639251 904761207 /nfs/dbraw/zinc/76/12/07/904761207.db2.gz GHGXNVFVLQJIEQ-UHFFFAOYSA-N 2 1 378.948 3.619 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889834058 904790209 /nfs/dbraw/zinc/79/02/09/904790209.db2.gz VTOPPKQYVYWXGA-LJQANCHMSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554624 904825894 /nfs/dbraw/zinc/82/58/94/904825894.db2.gz KZDCAFGJYBVDQH-HNNXBMFYSA-N 2 1 392.425 3.640 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554624 904825904 /nfs/dbraw/zinc/82/59/04/904825904.db2.gz KZDCAFGJYBVDQH-HNNXBMFYSA-N 2 1 392.425 3.640 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000775059472 914847526 /nfs/dbraw/zinc/84/75/26/914847526.db2.gz QBDKDWKVARDSSK-UHFFFAOYSA-N 2 1 376.545 3.535 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631637 904853394 /nfs/dbraw/zinc/85/33/94/904853394.db2.gz LIMOJYDFJDKAAJ-FUHWJXTLSA-N 2 1 379.589 3.969 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1(C)C ZINC001171640582 904929421 /nfs/dbraw/zinc/92/94/21/904929421.db2.gz GNNFUAXRUZXXAJ-GOSISDBHSA-N 2 1 375.532 3.671 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000646805496 914858343 /nfs/dbraw/zinc/85/83/43/914858343.db2.gz JOWPRHDSLCNTQX-MOPGFXCFSA-N 2 1 395.547 3.890 20 0 GHADMP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001171815798 905074272 /nfs/dbraw/zinc/07/42/72/905074272.db2.gz VKPKOQNDRKJFCX-XMMPIXPASA-N 2 1 385.596 3.592 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171962107 905169246 /nfs/dbraw/zinc/16/92/46/905169246.db2.gz BLJGMPIQADHBPI-GOTSBHOMSA-N 2 1 391.559 3.820 20 0 GHADMP CC(C)(C)[C@H](CN1C(=O)CCC1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974971 905219998 /nfs/dbraw/zinc/21/99/98/905219998.db2.gz BKCYRVLTRMVYMN-UXHICEINSA-N 2 1 399.579 3.583 20 0 GHADMP CC[C@@H]1[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981762 905234680 /nfs/dbraw/zinc/23/46/80/905234680.db2.gz PZZQIFYMRDZGTE-HFMPRLQTSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@@H]1[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981762 905234692 /nfs/dbraw/zinc/23/46/92/905234692.db2.gz PZZQIFYMRDZGTE-HFMPRLQTSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981762 905234704 /nfs/dbraw/zinc/23/47/04/905234704.db2.gz PZZQIFYMRDZGTE-HFMPRLQTSA-N 2 1 383.580 3.953 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCC[C@]12CCC(=O)N2 ZINC001171981762 905234715 /nfs/dbraw/zinc/23/47/15/905234715.db2.gz PZZQIFYMRDZGTE-HFMPRLQTSA-N 2 1 383.580 3.953 20 0 GHADMP Cc1nccc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171986820 905248580 /nfs/dbraw/zinc/24/85/80/905248580.db2.gz MQWOCEXCBZGMHB-QFIPXVFZSA-N 2 1 393.579 3.787 20 0 GHADMP COc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172072906 905277708 /nfs/dbraw/zinc/27/77/08/905277708.db2.gz NWKALNYFPKUVOQ-YCAMKHIRSA-N 2 1 394.559 3.774 20 0 GHADMP [NH3+]Cc1ccc(-c2nnn([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)cc1 ZINC001172079349 905290286 /nfs/dbraw/zinc/29/02/86/905290286.db2.gz NLAFCAUBEPYSTB-ZBYYUNFXSA-N 2 1 388.519 3.557 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C3)cc1 ZINC001172087849 905302263 /nfs/dbraw/zinc/30/22/63/905302263.db2.gz MMOZSOWSHAUWFC-KAOXLYBCSA-N 2 1 376.548 3.836 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063100 905324035 /nfs/dbraw/zinc/32/40/35/905324035.db2.gz WLEXCEWLLINBRX-NUNAXRQHSA-N 2 1 383.580 3.809 20 0 GHADMP Cc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cn12 ZINC001172068393 905338110 /nfs/dbraw/zinc/33/81/10/905338110.db2.gz KJZYZXJYFXCCTN-KOUNCHBCSA-N 2 1 375.520 3.713 20 0 GHADMP Cc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn12 ZINC001172068393 905338133 /nfs/dbraw/zinc/33/81/33/905338133.db2.gz KJZYZXJYFXCCTN-KOUNCHBCSA-N 2 1 375.520 3.713 20 0 GHADMP COc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCC1CCOCC1 ZINC001172109080 905356733 /nfs/dbraw/zinc/35/67/33/905356733.db2.gz BXUTXUUUAQJKNG-WKCHPHFGSA-N 2 1 388.552 3.606 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172111280 905359346 /nfs/dbraw/zinc/35/93/46/905359346.db2.gz PMAQUMLOHBAAMT-HAGHYFMRSA-N 2 1 381.568 3.630 20 0 GHADMP CCn1c2ccccc2nc1N1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172111280 905359363 /nfs/dbraw/zinc/35/93/63/905359363.db2.gz PMAQUMLOHBAAMT-HAGHYFMRSA-N 2 1 381.568 3.630 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccccc3N(C(=O)OC(C)(C)C)C1)C2 ZINC001172112799 905364657 /nfs/dbraw/zinc/36/46/57/905364657.db2.gz FKSQRHISSPEKRF-HAGHYFMRSA-N 2 1 385.552 3.958 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccccc3N(C(=O)OC(C)(C)C)C1)C2 ZINC001172112799 905364676 /nfs/dbraw/zinc/36/46/76/905364676.db2.gz FKSQRHISSPEKRF-HAGHYFMRSA-N 2 1 385.552 3.958 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COc3ccccn3)CC1)C2 ZINC001172118307 905376760 /nfs/dbraw/zinc/37/67/60/905376760.db2.gz VAGMCPQXCZKQRT-KJJMTIBFSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COc3ccccn3)CC1)C2 ZINC001172118307 905376781 /nfs/dbraw/zinc/37/67/81/905376781.db2.gz VAGMCPQXCZKQRT-KJJMTIBFSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C3CN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172121068 905377797 /nfs/dbraw/zinc/37/77/97/905377797.db2.gz ONUMNLANUSNREM-ACDBMABISA-N 2 1 377.573 3.581 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C3CN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172121068 905377809 /nfs/dbraw/zinc/37/78/09/905377809.db2.gz ONUMNLANUSNREM-ACDBMABISA-N 2 1 377.573 3.581 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172119809 905380357 /nfs/dbraw/zinc/38/03/57/905380357.db2.gz AUVOQPYIWOTNQB-KCOOYEKVSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001172119809 905380374 /nfs/dbraw/zinc/38/03/74/905380374.db2.gz AUVOQPYIWOTNQB-KCOOYEKVSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001172119809 905380392 /nfs/dbraw/zinc/38/03/92/905380392.db2.gz AUVOQPYIWOTNQB-KCOOYEKVSA-N 2 1 381.564 3.648 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119501 905380892 /nfs/dbraw/zinc/38/08/92/905380892.db2.gz VXPBTXVSDSDUCN-MDPIYQRISA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119501 905380905 /nfs/dbraw/zinc/38/09/05/905380905.db2.gz VXPBTXVSDSDUCN-MDPIYQRISA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119501 905380921 /nfs/dbraw/zinc/38/09/21/905380921.db2.gz VXPBTXVSDSDUCN-MDPIYQRISA-N 2 1 387.593 3.692 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123312 905385158 /nfs/dbraw/zinc/38/51/58/905385158.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001172123312 905385176 /nfs/dbraw/zinc/38/51/76/905385176.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001172123312 905385185 /nfs/dbraw/zinc/38/51/85/905385185.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 2 1 382.596 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123312 905385202 /nfs/dbraw/zinc/38/52/02/905385202.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 3 1 382.596 3.629 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123312 905385219 /nfs/dbraw/zinc/38/52/19/905385219.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123312 905385234 /nfs/dbraw/zinc/38/52/34/905385234.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001172123312 905385248 /nfs/dbraw/zinc/38/52/48/905385248.db2.gz ZNDUINNQBYODKM-HJGHSPLBSA-N 3 1 382.596 3.629 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@@H]4CCN5C(=O)CC[C@H]5C4)CC3)C2)cc1 ZINC001172172511 905395018 /nfs/dbraw/zinc/39/50/18/905395018.db2.gz FHGYDKSQXRHTIR-PKTZIBPZSA-N 2 1 395.591 3.826 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC001172211888 905414023 /nfs/dbraw/zinc/41/40/23/905414023.db2.gz GOJAWTFJXQBDBM-UHFFFAOYSA-N 2 1 392.971 3.967 20 0 GHADMP COCCCN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC001172250052 905448503 /nfs/dbraw/zinc/44/85/03/905448503.db2.gz NCQSHGLYOIUZRR-UHFFFAOYSA-N 2 1 394.003 3.643 20 0 GHADMP COCCC[NH+]1CCC([N@H+](C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172257937 905450375 /nfs/dbraw/zinc/45/03/75/905450375.db2.gz TXAXNJFEYGHXNO-HXUWFJFHSA-N 2 1 397.604 3.597 20 0 GHADMP COCCC[NH+]1CCC([N@@H+](C(C)C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172257937 905450388 /nfs/dbraw/zinc/45/03/88/905450388.db2.gz TXAXNJFEYGHXNO-HXUWFJFHSA-N 2 1 397.604 3.597 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001172338433 905502626 /nfs/dbraw/zinc/50/26/26/905502626.db2.gz OFOCYETZEQYFCC-NHCUHLMSSA-N 2 1 389.584 3.590 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172518558 905613051 /nfs/dbraw/zinc/61/30/51/905613051.db2.gz ZRCXMXHVMATNPT-SWUCNREESA-N 2 1 383.580 3.639 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536185 905640008 /nfs/dbraw/zinc/64/00/08/905640008.db2.gz MGKGABZWVXHRDP-NLPWIYRPSA-N 2 1 395.591 3.591 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536185 905640011 /nfs/dbraw/zinc/64/00/11/905640011.db2.gz MGKGABZWVXHRDP-NLPWIYRPSA-N 2 1 395.591 3.591 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C[C@@H]2C1 ZINC001172536185 905640014 /nfs/dbraw/zinc/64/00/14/905640014.db2.gz MGKGABZWVXHRDP-NLPWIYRPSA-N 2 1 395.591 3.591 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C[C@H]2C1 ZINC001172547127 905650707 /nfs/dbraw/zinc/65/07/07/905650707.db2.gz UOBFYQLAKNRFQS-NMIHRBCNSA-N 2 1 399.579 3.854 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](C[NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C[C@H]2C1 ZINC001172547127 905650713 /nfs/dbraw/zinc/65/07/13/905650713.db2.gz UOBFYQLAKNRFQS-NMIHRBCNSA-N 2 1 399.579 3.854 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172804926 905877855 /nfs/dbraw/zinc/87/78/55/905877855.db2.gz RWWQSOKFKJZIJV-IHWFROFDSA-N 2 1 398.551 3.655 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001172806000 905878906 /nfs/dbraw/zinc/87/89/06/905878906.db2.gz FICJCFJLJPKCRJ-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001172806000 905878922 /nfs/dbraw/zinc/87/89/22/905878922.db2.gz FICJCFJLJPKCRJ-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172863683 905918515 /nfs/dbraw/zinc/91/85/15/905918515.db2.gz PBCJALGGHQGNHW-KRWDZBQOSA-N 2 1 389.946 3.947 20 0 GHADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001172882665 905968964 /nfs/dbraw/zinc/96/89/64/905968964.db2.gz JIXDBVKXLNKBMO-UHFFFAOYSA-N 2 1 391.943 3.775 20 0 GHADMP CCCOC1CCC([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)CC1 ZINC001173103343 906190643 /nfs/dbraw/zinc/19/06/43/906190643.db2.gz ZXMPHPJVYAWMQH-UHFFFAOYSA-N 2 1 388.552 3.765 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)CC1 ZINC001173110352 906197031 /nfs/dbraw/zinc/19/70/31/906197031.db2.gz KAFLSPHHMTXZDQ-OAADDMNDSA-N 2 1 387.568 3.593 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173132725 906214667 /nfs/dbraw/zinc/21/46/67/906214667.db2.gz LKPQQJKHWBOKHK-KRWDZBQOSA-N 2 1 386.565 3.736 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173132725 906214683 /nfs/dbraw/zinc/21/46/83/906214683.db2.gz LKPQQJKHWBOKHK-KRWDZBQOSA-N 2 1 386.565 3.736 20 0 GHADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCCC3(CCCCC3)C1)CC2 ZINC001173345088 906386021 /nfs/dbraw/zinc/38/60/21/906386021.db2.gz QXJVMLBGCLGRIS-OAQYLSRUSA-N 2 1 385.596 3.704 20 0 GHADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391926 906491557 /nfs/dbraw/zinc/49/15/57/906491557.db2.gz PJVATLSWQYSDHR-KRWDZBQOSA-N 2 1 391.519 3.618 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001173656105 906642953 /nfs/dbraw/zinc/64/29/53/906642953.db2.gz ASJULCVYCGXZLQ-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001173656105 906642959 /nfs/dbraw/zinc/64/29/59/906642959.db2.gz ASJULCVYCGXZLQ-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001173656105 906642965 /nfs/dbraw/zinc/64/29/65/906642965.db2.gz ASJULCVYCGXZLQ-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173768917 906688612 /nfs/dbraw/zinc/68/86/12/906688612.db2.gz HTZCKUIDXDYZOZ-MRXNPFEDSA-N 2 1 395.950 3.938 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)[C@H](C)C1 ZINC001173777308 906703689 /nfs/dbraw/zinc/70/36/89/906703689.db2.gz GLLASKAMSWBVQH-QRWLVFNGSA-N 2 1 395.950 3.792 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629561305 906869151 /nfs/dbraw/zinc/86/91/51/906869151.db2.gz IGBCSCWJQGIAEN-SWLSCSKDSA-N 2 1 384.364 3.933 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629561305 906869163 /nfs/dbraw/zinc/86/91/63/906869163.db2.gz IGBCSCWJQGIAEN-SWLSCSKDSA-N 2 1 384.364 3.933 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1C(F)(F)F ZINC000629657543 906933755 /nfs/dbraw/zinc/93/37/55/906933755.db2.gz ZJBSXVWSUDMXMC-AEFFLSMTSA-N 2 1 388.437 3.985 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)CC[C@@H]1C(F)(F)F ZINC000629657543 906933772 /nfs/dbraw/zinc/93/37/72/906933772.db2.gz ZJBSXVWSUDMXMC-AEFFLSMTSA-N 2 1 388.437 3.985 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-n2ccnc2)cc1 ZINC000182243785 907168172 /nfs/dbraw/zinc/16/81/72/907168172.db2.gz WMONDHSPMMAEEE-NTKDMRAZSA-N 2 1 390.531 3.680 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001175061693 907337276 /nfs/dbraw/zinc/33/72/76/907337276.db2.gz JJIXPAMDNAVKAW-HSZRJFAPSA-N 2 1 375.516 3.982 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001175061693 907337293 /nfs/dbraw/zinc/33/72/93/907337293.db2.gz JJIXPAMDNAVKAW-HSZRJFAPSA-N 2 1 375.516 3.982 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183188062 907347547 /nfs/dbraw/zinc/34/75/47/907347547.db2.gz ULDMNCFXMVEQGR-HLLBOEOZSA-N 2 1 382.545 3.533 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183188062 907347560 /nfs/dbraw/zinc/34/75/60/907347560.db2.gz ULDMNCFXMVEQGR-HLLBOEOZSA-N 2 1 382.545 3.533 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(Nc3ccc(N4CC[NH+](CC)CC4)cc3)c2C1 ZINC001175780808 907742404 /nfs/dbraw/zinc/74/24/04/907742404.db2.gz AYJAQQFCQFDOFA-UHFFFAOYSA-N 2 1 399.608 3.984 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185668269 907810020 /nfs/dbraw/zinc/81/00/20/907810020.db2.gz FXUMUQSSRSSMDE-LSDHHAIUSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185668269 907810032 /nfs/dbraw/zinc/81/00/32/907810032.db2.gz FXUMUQSSRSSMDE-LSDHHAIUSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001176366152 908080879 /nfs/dbraw/zinc/08/08/79/908080879.db2.gz XXMNUYLQMJJWAM-UEVCKROQSA-N 2 1 379.548 3.674 20 0 GHADMP Cc1ccc2c(c1)nc(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)n2C ZINC000187574230 908108342 /nfs/dbraw/zinc/10/83/42/908108342.db2.gz BWFOEDISMJRHRV-UHFFFAOYSA-N 2 1 391.563 3.702 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCS2 ZINC000188037362 908169743 /nfs/dbraw/zinc/16/97/43/908169743.db2.gz ATKVGKLTGKNZHH-OXJNMPFZSA-N 2 1 376.566 3.713 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCCS2 ZINC000188445847 908213255 /nfs/dbraw/zinc/21/32/55/908213255.db2.gz JPZQDYBYFLZYOS-SIKLNZKXSA-N 2 1 398.572 3.979 20 0 GHADMP Cc1[nH]c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c(C)[nH+]1 ZINC001178445686 909043527 /nfs/dbraw/zinc/04/35/27/909043527.db2.gz HYUVOSKPEJMPTM-LEWJYISDSA-N 2 1 380.536 3.581 20 0 GHADMP Cc1[nH]c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c(C)[nH+]1 ZINC001178445686 909043545 /nfs/dbraw/zinc/04/35/45/909043545.db2.gz HYUVOSKPEJMPTM-LEWJYISDSA-N 2 1 380.536 3.581 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC001178972819 909340282 /nfs/dbraw/zinc/34/02/82/909340282.db2.gz ZVEKZKFMTYURHP-WIYYLYMNSA-N 2 1 398.938 3.614 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC001178972819 909340295 /nfs/dbraw/zinc/34/02/95/909340295.db2.gz ZVEKZKFMTYURHP-WIYYLYMNSA-N 2 1 398.938 3.614 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)c3sccc3C[NH+](C)C)c(C)c2)CC1 ZINC000268042726 909748125 /nfs/dbraw/zinc/74/81/25/909748125.db2.gz QRLZMQCPZPAPSZ-UHFFFAOYSA-N 2 1 386.565 3.512 20 0 GHADMP CC(C)(C)[C@]1(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001179980529 909849009 /nfs/dbraw/zinc/84/90/09/909849009.db2.gz RHSZZBRALIYVJL-WMTXJRDZSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001179980529 909849020 /nfs/dbraw/zinc/84/90/20/909849020.db2.gz RHSZZBRALIYVJL-WMTXJRDZSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001179980529 909849033 /nfs/dbraw/zinc/84/90/33/909849033.db2.gz RHSZZBRALIYVJL-WMTXJRDZSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001179980529 909849039 /nfs/dbraw/zinc/84/90/39/909849039.db2.gz RHSZZBRALIYVJL-WMTXJRDZSA-N 2 1 386.580 3.805 20 0 GHADMP CC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2n1CCCCC2 ZINC000268822220 910032159 /nfs/dbraw/zinc/03/21/59/910032159.db2.gz HIEYTABIGNLMAQ-YLJYHZDGSA-N 2 1 385.556 3.747 20 0 GHADMP COc1cc(OC)c(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c(OC)c1 ZINC000268851987 910046152 /nfs/dbraw/zinc/04/61/52/910046152.db2.gz KQSBORHQAQCRNT-MRXNPFEDSA-N 2 1 388.508 3.504 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C(F)F)nc3)CC2)CC1 ZINC000638136895 910061061 /nfs/dbraw/zinc/06/10/61/910061061.db2.gz OXFZFUORYXJGLD-UHFFFAOYSA-N 2 1 380.527 3.647 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)ncn1 ZINC000269006656 910099163 /nfs/dbraw/zinc/09/91/63/910099163.db2.gz WFVXBVZNKHYLPK-WMZHIEFXSA-N 2 1 393.579 3.508 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)ncn1 ZINC000269006656 910099168 /nfs/dbraw/zinc/09/91/68/910099168.db2.gz WFVXBVZNKHYLPK-WMZHIEFXSA-N 2 1 393.579 3.508 20 0 GHADMP CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638322264 910117054 /nfs/dbraw/zinc/11/70/54/910117054.db2.gz XJAKQNOEUMMDLL-KRWDZBQOSA-N 2 1 397.485 3.559 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269064668 910124034 /nfs/dbraw/zinc/12/40/34/910124034.db2.gz KYLJTQOBXRAGSZ-AWEZNQCLSA-N 2 1 386.508 3.741 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638474465 910161549 /nfs/dbraw/zinc/16/15/49/910161549.db2.gz LZLIVVQSDZZHMZ-UYAOXDASSA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638474465 910161556 /nfs/dbraw/zinc/16/15/56/910161556.db2.gz LZLIVVQSDZZHMZ-UYAOXDASSA-N 2 1 381.486 3.971 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000246210927 910171585 /nfs/dbraw/zinc/17/15/85/910171585.db2.gz CAGJEIZSZNWCMI-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000246210927 910171606 /nfs/dbraw/zinc/17/16/06/910171606.db2.gz CAGJEIZSZNWCMI-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000246210927 910171615 /nfs/dbraw/zinc/17/16/15/910171615.db2.gz CAGJEIZSZNWCMI-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ccc(-c3ccc(Br)cc3)n2)C1 ZINC000246210927 910171627 /nfs/dbraw/zinc/17/16/27/910171627.db2.gz CAGJEIZSZNWCMI-LPHOPBHVSA-N 2 1 389.341 3.686 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638628035 910204672 /nfs/dbraw/zinc/20/46/72/910204672.db2.gz JLJFIZHGSASCFU-LADGPHEKSA-N 2 1 391.559 3.889 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638628035 910204687 /nfs/dbraw/zinc/20/46/87/910204687.db2.gz JLJFIZHGSASCFU-LADGPHEKSA-N 2 1 391.559 3.889 20 0 GHADMP c1ccc(C(C[NH+]2CC[C@@]3(C2)CCCOC3)C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000639633399 910577260 /nfs/dbraw/zinc/57/72/60/910577260.db2.gz YRSGVVOWGJAAOC-JWQCQUIFSA-N 2 1 398.591 3.775 20 0 GHADMP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001181841111 911037302 /nfs/dbraw/zinc/03/73/02/911037302.db2.gz VWPZXRGLVPLKBW-GOTSBHOMSA-N 2 1 397.538 3.580 20 0 GHADMP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001181841111 911037322 /nfs/dbraw/zinc/03/73/22/911037322.db2.gz VWPZXRGLVPLKBW-GOTSBHOMSA-N 2 1 397.538 3.580 20 0 GHADMP COc1ccc2[nH]cc(C3=CC[N@@H+](CCCN4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000283214634 911418619 /nfs/dbraw/zinc/41/86/19/911418619.db2.gz HKCSLYXPQNEERH-UHFFFAOYSA-N 2 1 396.579 3.682 20 0 GHADMP CC(C)(C)c1cc[nH+]c(NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)c1 ZINC000641636171 911465251 /nfs/dbraw/zinc/46/52/51/911465251.db2.gz QSPRYUQIEYFECN-UHFFFAOYSA-N 2 1 380.536 3.689 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000092295052 911471565 /nfs/dbraw/zinc/47/15/65/911471565.db2.gz BGYVKAIPZHVZCQ-QFIPXVFZSA-N 2 1 378.520 3.551 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)cc1 ZINC001182389778 911601578 /nfs/dbraw/zinc/60/15/78/911601578.db2.gz DASFAQMLWIDBBP-UYAOXDASSA-N 2 1 378.520 3.921 20 0 GHADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3csc(-c4ccccn4)n3)cc2)CC1 ZINC000283962913 911705302 /nfs/dbraw/zinc/70/53/02/911705302.db2.gz KPVUJVYCKSEKBP-UHFFFAOYSA-N 2 1 394.544 3.968 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)c2c1C ZINC000466803739 911881684 /nfs/dbraw/zinc/88/16/84/911881684.db2.gz SOSHRVWMTBOZAB-CXAGYDPISA-N 2 1 385.581 3.799 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)c2c1C ZINC000466803739 911881701 /nfs/dbraw/zinc/88/17/01/911881701.db2.gz SOSHRVWMTBOZAB-CXAGYDPISA-N 2 1 385.581 3.799 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@@H]1Oc1ccccc1 ZINC001182825987 912069471 /nfs/dbraw/zinc/06/94/71/912069471.db2.gz MUJSQNANDHOMKD-MZYLBHOOSA-N 2 1 380.532 3.589 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001182938983 912170206 /nfs/dbraw/zinc/17/02/06/912170206.db2.gz VEHRNINWMXPPAI-GOTSBHOMSA-N 2 1 379.548 3.678 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(SC)cc1OC ZINC000647248795 915105630 /nfs/dbraw/zinc/10/56/30/915105630.db2.gz FPXOLSYHWMMLIS-MOPGFXCFSA-N 2 1 386.561 3.861 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(SC)cc1OC ZINC000647248795 915105641 /nfs/dbraw/zinc/10/56/41/915105641.db2.gz FPXOLSYHWMMLIS-MOPGFXCFSA-N 2 1 386.561 3.861 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)NCc1cccs1 ZINC000647334078 915157531 /nfs/dbraw/zinc/15/75/31/915157531.db2.gz FSOBZOAZEAZEMV-POAQFYNOSA-N 2 1 377.598 3.776 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963907 915455530 /nfs/dbraw/zinc/45/55/30/915455530.db2.gz HHQPIOOVBUYLBS-QHAWAJNXSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963907 915455536 /nfs/dbraw/zinc/45/55/36/915455536.db2.gz HHQPIOOVBUYLBS-QHAWAJNXSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647963907 915455543 /nfs/dbraw/zinc/45/55/43/915455543.db2.gz HHQPIOOVBUYLBS-QHAWAJNXSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000648168070 915530813 /nfs/dbraw/zinc/53/08/13/915530813.db2.gz RTGQATBLXIRTBU-HGHGUNKESA-N 2 1 385.939 3.757 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776967 915858751 /nfs/dbraw/zinc/85/87/51/915858751.db2.gz RFFMIGAAPHSTGN-CTNGQTDRSA-N 2 1 386.923 3.910 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000543776971 915860170 /nfs/dbraw/zinc/86/01/70/915860170.db2.gz RFFMIGAAPHSTGN-TZIWHRDSSA-N 2 1 386.923 3.910 20 0 GHADMP CCc1nccn1[C@@H](C)CC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648804246 915886877 /nfs/dbraw/zinc/88/68/77/915886877.db2.gz AFQBXALIOZKCEI-FPOVZHCZSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648804246 915886893 /nfs/dbraw/zinc/88/68/93/915886893.db2.gz AFQBXALIOZKCEI-FPOVZHCZSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648804246 915886905 /nfs/dbraw/zinc/88/69/05/915886905.db2.gz AFQBXALIOZKCEI-FPOVZHCZSA-N 2 1 382.552 3.767 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N[C@H]3CC[N@@H+](CC4CCCCC4)C3)cc2)CC1 ZINC001188330451 915890810 /nfs/dbraw/zinc/89/08/10/915890810.db2.gz FZMHDOQAVOZVJB-QHCPKHFHSA-N 2 1 383.580 3.880 20 0 GHADMP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000292898425 915894724 /nfs/dbraw/zinc/89/47/24/915894724.db2.gz DIOIMVRKHOSQTD-YADARESESA-N 2 1 398.522 3.915 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000648912892 915939124 /nfs/dbraw/zinc/93/91/24/915939124.db2.gz YVLMYNKXBDSJCC-FQEVSTJZSA-N 2 1 394.563 3.911 20 0 GHADMP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000649552768 916223931 /nfs/dbraw/zinc/22/39/31/916223931.db2.gz VOQFZYPKZYCMCN-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000649552768 916223952 /nfs/dbraw/zinc/22/39/52/916223952.db2.gz VOQFZYPKZYCMCN-XMMPIXPASA-N 2 1 393.575 3.504 20 0 GHADMP CC(C)O[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@H](OC(C)C)C3)c2)C1 ZINC000649703876 916344700 /nfs/dbraw/zinc/34/47/00/916344700.db2.gz OVASSHGJUYPBTP-DHIUTWEWSA-N 2 1 389.584 3.860 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@H+](C)C[C@@H]3Cc3ccccc3)ccc21 ZINC000650236914 916824670 /nfs/dbraw/zinc/82/46/70/916824670.db2.gz ODEHOUAXTVHHLS-JTHBVZDNSA-N 2 1 392.547 3.626 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[N@@H+](C)C[C@@H]3Cc3ccccc3)ccc21 ZINC000650236914 916824680 /nfs/dbraw/zinc/82/46/80/916824680.db2.gz ODEHOUAXTVHHLS-JTHBVZDNSA-N 2 1 392.547 3.626 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc4ccc(F)cc4o3)CC2)CC1 ZINC000361756942 916891895 /nfs/dbraw/zinc/89/18/95/916891895.db2.gz SRUATINEUZWVDR-UHFFFAOYSA-N 2 1 388.531 3.595 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000775309836 916897290 /nfs/dbraw/zinc/89/72/90/916897290.db2.gz GIYWADXYMABCEJ-XMSQKQJNSA-N 2 1 377.532 3.596 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3Cl)C2)C1 ZINC000650708399 917243238 /nfs/dbraw/zinc/24/32/38/917243238.db2.gz ZCPGGFWXEJMICF-SRCQZFHVSA-N 2 1 387.749 3.821 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1OCC(C)C ZINC000650721919 917250959 /nfs/dbraw/zinc/25/09/59/917250959.db2.gz FUPUUPXVNWEDJA-VWPQPMDRSA-N 2 1 390.568 3.981 20 0 GHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001190865293 917615493 /nfs/dbraw/zinc/61/54/93/917615493.db2.gz RMLXMHHZAMXBJO-UHFFFAOYSA-N 2 1 380.580 3.763 20 0 GHADMP Cc1nc(C(C)C)ccc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001190865293 917615501 /nfs/dbraw/zinc/61/55/01/917615501.db2.gz RMLXMHHZAMXBJO-UHFFFAOYSA-N 2 1 380.580 3.763 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000652032210 917778771 /nfs/dbraw/zinc/77/87/71/917778771.db2.gz FCIZXTIIWWDECP-AEFFLSMTSA-N 2 1 388.581 3.747 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000652032210 917778777 /nfs/dbraw/zinc/77/87/77/917778777.db2.gz FCIZXTIIWWDECP-AEFFLSMTSA-N 2 1 388.581 3.747 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000652050288 917783872 /nfs/dbraw/zinc/78/38/72/917783872.db2.gz AFAJLIOHIHKZKM-FPOVZHCZSA-N 2 1 377.532 3.550 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000652050288 917783881 /nfs/dbraw/zinc/78/38/81/917783881.db2.gz AFAJLIOHIHKZKM-FPOVZHCZSA-N 2 1 377.532 3.550 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)ccc2Br)CC1 ZINC001205570419 918129067 /nfs/dbraw/zinc/12/90/67/918129067.db2.gz JWMLKTQXZYHIRC-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2Br)CC1 ZINC001205570419 918129074 /nfs/dbraw/zinc/12/90/74/918129074.db2.gz JWMLKTQXZYHIRC-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000363363364 918146771 /nfs/dbraw/zinc/14/67/71/918146771.db2.gz WTMLMVHQPZYELV-UHFFFAOYSA-N 2 1 386.584 3.963 20 0 GHADMP C[C@@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000653239625 918197345 /nfs/dbraw/zinc/19/73/45/918197345.db2.gz CMYUCKFBVLYXKR-XXBNENTESA-N 2 1 379.548 3.908 20 0 GHADMP CC(C)(C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(N)=O ZINC000296600774 918448159 /nfs/dbraw/zinc/44/81/59/918448159.db2.gz VOSUNDDGPJJQFB-CZYKHXBRSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(N)=O ZINC000296600774 918448166 /nfs/dbraw/zinc/44/81/66/918448166.db2.gz VOSUNDDGPJJQFB-CZYKHXBRSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(N)=O ZINC000296600774 918448171 /nfs/dbraw/zinc/44/81/71/918448171.db2.gz VOSUNDDGPJJQFB-CZYKHXBRSA-N 2 1 383.580 3.796 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000653871956 918562552 /nfs/dbraw/zinc/56/25/52/918562552.db2.gz YZOAWPCPDMZPSV-UWVAXJGDSA-N 2 1 393.522 3.569 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381776688 919690195 /nfs/dbraw/zinc/69/01/95/919690195.db2.gz DJYSFZFTYZOLDK-CMKODMSKSA-N 2 1 375.557 3.647 20 0 GHADMP C[NH2+]C[C@H](C)c1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)c2ccccc2)n1 ZINC000900006040 919740391 /nfs/dbraw/zinc/74/03/91/919740391.db2.gz ODQDGZLYSQGKOH-XZOYJPPVSA-N 2 1 390.531 3.950 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486003 920169747 /nfs/dbraw/zinc/16/97/47/920169747.db2.gz VHGVWMXAEACWLQ-QHAWAJNXSA-N 2 1 387.568 3.854 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486003 920169758 /nfs/dbraw/zinc/16/97/58/920169758.db2.gz VHGVWMXAEACWLQ-QHAWAJNXSA-N 2 1 387.568 3.854 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486003 920169767 /nfs/dbraw/zinc/16/97/67/920169767.db2.gz VHGVWMXAEACWLQ-QHAWAJNXSA-N 2 1 387.568 3.854 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000800486003 920169775 /nfs/dbraw/zinc/16/97/75/920169775.db2.gz VHGVWMXAEACWLQ-QHAWAJNXSA-N 2 1 387.568 3.854 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)C1 ZINC000367845174 922332429 /nfs/dbraw/zinc/33/24/29/922332429.db2.gz BATAXYVSLBMHJT-HSZRJFAPSA-N 2 1 379.504 3.835 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C2)C1 ZINC000367845174 922332444 /nfs/dbraw/zinc/33/24/44/922332444.db2.gz BATAXYVSLBMHJT-HSZRJFAPSA-N 2 1 379.504 3.835 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000367883395 922355042 /nfs/dbraw/zinc/35/50/42/922355042.db2.gz BPULNEDWUUBEHD-XMMPIXPASA-N 2 1 377.532 3.518 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)c2ccccc2C1 ZINC000367883395 922355056 /nfs/dbraw/zinc/35/50/56/922355056.db2.gz BPULNEDWUUBEHD-XMMPIXPASA-N 2 1 377.532 3.518 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cn(C)nn1 ZINC000902739738 922452352 /nfs/dbraw/zinc/45/23/52/922452352.db2.gz MECLBQOGDPBVTN-GOSISDBHSA-N 2 1 375.520 3.929 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902947490 922628345 /nfs/dbraw/zinc/62/83/45/922628345.db2.gz JLRFHRMJWKASMH-KXBFYZLASA-N 2 1 393.453 3.908 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902947490 922628366 /nfs/dbraw/zinc/62/83/66/922628366.db2.gz JLRFHRMJWKASMH-KXBFYZLASA-N 2 1 393.453 3.908 20 0 GHADMP CC(C)(C)OC(=O)NCCC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000902993672 922694485 /nfs/dbraw/zinc/69/44/85/922694485.db2.gz VLDITXQQRLRDET-ZWKOTPCHSA-N 2 1 384.524 3.903 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@]23CCOC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000903098979 922770756 /nfs/dbraw/zinc/77/07/56/922770756.db2.gz WNGPKGHJRXNXSE-VBSBHUPXSA-N 2 1 398.469 3.626 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@]23CCOC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000903098979 922770766 /nfs/dbraw/zinc/77/07/66/922770766.db2.gz WNGPKGHJRXNXSE-VBSBHUPXSA-N 2 1 398.469 3.626 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903148487 922808493 /nfs/dbraw/zinc/80/84/93/922808493.db2.gz SMWCUKAMTARKTB-SQWHNCPASA-N 2 1 377.573 3.771 20 0 GHADMP C[C@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000369195311 923196187 /nfs/dbraw/zinc/19/61/87/923196187.db2.gz UJHQYPXOMMHTNW-IAGOWNOFSA-N 2 1 383.502 3.909 20 0 GHADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccccc1-c1ccccc1 ZINC000903814667 923310583 /nfs/dbraw/zinc/31/05/83/923310583.db2.gz GGKAKTSSOIBKPQ-UHFFFAOYSA-N 2 1 393.531 3.527 20 0 GHADMP Clc1cccc([C@@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000903920247 923399683 /nfs/dbraw/zinc/39/96/83/923399683.db2.gz HQPCTGPXDOEFIR-CTNGQTDRSA-N 2 1 381.911 3.735 20 0 GHADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000903958001 923436991 /nfs/dbraw/zinc/43/69/91/923436991.db2.gz VNLDICLYOUKNKS-CQSZACIVSA-N 2 1 376.875 3.862 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3c2cc(F)cc3F)c2cccs2)CC1 ZINC000677129577 924251621 /nfs/dbraw/zinc/25/16/21/924251621.db2.gz MZGKMFYNXLMWRD-RTBURBONSA-N 2 1 377.504 3.592 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2-n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000677128963 924252157 /nfs/dbraw/zinc/25/21/57/924252157.db2.gz GGZPLKDNZGMSLH-FPOVZHCZSA-N 2 1 375.520 3.658 20 0 GHADMP COc1cc(Cl)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000677150807 924261161 /nfs/dbraw/zinc/26/11/61/924261161.db2.gz SYOMBNFZQDUXBS-OKILXGFUSA-N 2 1 375.340 3.981 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000677237672 924295488 /nfs/dbraw/zinc/29/54/88/924295488.db2.gz NJCMPSKXJVJXLV-HMNCIZAVSA-N 2 1 398.595 3.856 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000677237672 924295491 /nfs/dbraw/zinc/29/54/91/924295491.db2.gz NJCMPSKXJVJXLV-HMNCIZAVSA-N 2 1 398.595 3.856 20 0 GHADMP Cc1csc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1Cl ZINC001137288957 924318330 /nfs/dbraw/zinc/31/83/30/924318330.db2.gz KHECPYCIAGKMTO-IAGOWNOFSA-N 2 1 396.000 3.617 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000371109037 924431271 /nfs/dbraw/zinc/43/12/71/924431271.db2.gz NFSOHMMMCCOBRI-IBGZPJMESA-N 2 1 399.501 3.575 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)n2c1 ZINC001137306226 924443717 /nfs/dbraw/zinc/44/37/17/924443717.db2.gz MPHNOQHXLMNEPA-UHFFFAOYSA-N 2 1 396.560 3.571 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000371483175 924606364 /nfs/dbraw/zinc/60/63/64/924606364.db2.gz UQKQHWSQSJIYLY-DHIUTWEWSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371483175 924606366 /nfs/dbraw/zinc/60/63/66/924606366.db2.gz UQKQHWSQSJIYLY-DHIUTWEWSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000371483175 924606371 /nfs/dbraw/zinc/60/63/71/924606371.db2.gz UQKQHWSQSJIYLY-DHIUTWEWSA-N 2 1 377.532 3.675 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000678121700 924616699 /nfs/dbraw/zinc/61/66/99/924616699.db2.gz CMLNVJSVHFOUJZ-UHFFFAOYSA-N 2 1 381.520 3.540 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000678121700 924616704 /nfs/dbraw/zinc/61/67/04/924616704.db2.gz CMLNVJSVHFOUJZ-UHFFFAOYSA-N 2 1 381.520 3.540 20 0 GHADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1OCCc2ccccc21 ZINC000678211880 924666030 /nfs/dbraw/zinc/66/60/30/924666030.db2.gz NXAKWVATXKOMSO-XMMPIXPASA-N 2 1 380.532 3.907 20 0 GHADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678293971 924710994 /nfs/dbraw/zinc/71/09/94/924710994.db2.gz JFWDFOVWPYGXRP-OAQYLSRUSA-N 2 1 392.547 3.950 20 0 GHADMP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678342700 924734408 /nfs/dbraw/zinc/73/44/08/924734408.db2.gz DFMZBACZQIOJNC-ROUUACIJSA-N 2 1 378.907 3.844 20 0 GHADMP Clc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000678343654 924735731 /nfs/dbraw/zinc/73/57/31/924735731.db2.gz WCIYPSJHPOEMFO-WOJBJXKFSA-N 2 1 392.934 3.903 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000409635701 924823964 /nfs/dbraw/zinc/82/39/64/924823964.db2.gz NTXKRDKLDSQSAS-IBGZPJMESA-N 2 1 379.548 3.591 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000409635701 924823969 /nfs/dbraw/zinc/82/39/69/924823969.db2.gz NTXKRDKLDSQSAS-IBGZPJMESA-N 2 1 379.548 3.591 20 0 GHADMP C[C@H](C[NH+]1CCC[C@@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638838 924859600 /nfs/dbraw/zinc/85/96/00/924859600.db2.gz YHHVAEOPNBOHGT-HTUFRPJOSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678638838 924859604 /nfs/dbraw/zinc/85/96/04/924859604.db2.gz YHHVAEOPNBOHGT-HTUFRPJOSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678638838 924859608 /nfs/dbraw/zinc/85/96/08/924859608.db2.gz YHHVAEOPNBOHGT-HTUFRPJOSA-N 2 1 392.628 3.900 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1)C1CC[NH+](C)CC1 ZINC000680002117 925328466 /nfs/dbraw/zinc/32/84/66/925328466.db2.gz QGBSLJSOWHFULR-NRFANRHFSA-N 2 1 378.564 3.677 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@@H]21 ZINC001137401834 925398971 /nfs/dbraw/zinc/39/89/71/925398971.db2.gz ISOHFDSGKMHHRN-VOQZNFBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@@H]21 ZINC001137401834 925398979 /nfs/dbraw/zinc/39/89/79/925398979.db2.gz ISOHFDSGKMHHRN-VOQZNFBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4ncccc34)C[C@@H]21 ZINC001137401834 925398986 /nfs/dbraw/zinc/39/89/86/925398986.db2.gz ISOHFDSGKMHHRN-VOQZNFBZSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4ncccc34)C[C@@H]21 ZINC001137401834 925399001 /nfs/dbraw/zinc/39/90/01/925399001.db2.gz ISOHFDSGKMHHRN-VOQZNFBZSA-N 2 1 375.520 3.690 20 0 GHADMP COc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000680335202 925447203 /nfs/dbraw/zinc/44/72/03/925447203.db2.gz RXIKRDJFHAJSRB-QHCPKHFHSA-N 2 1 382.523 3.988 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000410336100 925540287 /nfs/dbraw/zinc/54/02/87/925540287.db2.gz CKBZPXVELDBFFW-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000410368021 925589563 /nfs/dbraw/zinc/58/95/63/925589563.db2.gz SNGWPEVJESZNOA-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000410368021 925589566 /nfs/dbraw/zinc/58/95/66/925589566.db2.gz SNGWPEVJESZNOA-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NCC[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000410368021 925589570 /nfs/dbraw/zinc/58/95/70/925589570.db2.gz SNGWPEVJESZNOA-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)cc2)C[C@@H](C)O1 ZINC000680775817 925603834 /nfs/dbraw/zinc/60/38/34/925603834.db2.gz HQYVLLTXKPAOHH-OMHCMOMGSA-N 2 1 396.535 3.686 20 0 GHADMP O=C1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]2N1C1CC1 ZINC000411397707 926367463 /nfs/dbraw/zinc/36/74/63/926367463.db2.gz MOBCNEFKSMXVCQ-FYYLOGMGSA-N 2 1 381.564 3.648 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCC(OCC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000411444460 926397321 /nfs/dbraw/zinc/39/73/21/926397321.db2.gz NFACCJXOCMMONN-BGYRXZFFSA-N 2 1 397.563 3.633 20 0 GHADMP Cc1ccc2ncc(C[NH+]3CCC(OCC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000411444460 926397325 /nfs/dbraw/zinc/39/73/25/926397325.db2.gz NFACCJXOCMMONN-BGYRXZFFSA-N 2 1 397.563 3.633 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000398034209 926486002 /nfs/dbraw/zinc/48/60/02/926486002.db2.gz MKEMQCBVOKGAPY-PKOBYXMFSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000398034209 926486004 /nfs/dbraw/zinc/48/60/04/926486004.db2.gz MKEMQCBVOKGAPY-PKOBYXMFSA-N 2 1 375.557 3.790 20 0 GHADMP CN(C(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000411686185 926642687 /nfs/dbraw/zinc/64/26/87/926642687.db2.gz CTCOPFJJGMGCDV-JOCHJYFZSA-N 2 1 379.548 3.930 20 0 GHADMP CN(C(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)c1ccccc1 ZINC000411686185 926642692 /nfs/dbraw/zinc/64/26/92/926642692.db2.gz CTCOPFJJGMGCDV-JOCHJYFZSA-N 2 1 379.548 3.930 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000749448949 927109194 /nfs/dbraw/zinc/10/91/94/927109194.db2.gz AYKICSFLILEPBQ-AABGKKOBSA-N 2 1 387.568 3.542 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000749587292 927204095 /nfs/dbraw/zinc/20/40/95/927204095.db2.gz HENFLHZGKNIVQR-HFSMHLIXSA-N 2 1 387.568 3.585 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000750238411 927508678 /nfs/dbraw/zinc/50/86/78/927508678.db2.gz HEOOYIMGOZPHHI-JOCHJYFZSA-N 2 1 383.511 3.510 20 0 GHADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000750238411 927508686 /nfs/dbraw/zinc/50/86/86/927508686.db2.gz HEOOYIMGOZPHHI-JOCHJYFZSA-N 2 1 383.511 3.510 20 0 GHADMP C/C(=C/C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000750852291 927895680 /nfs/dbraw/zinc/89/56/80/927895680.db2.gz RCRBITXXNCINMD-VXPUYCOJSA-N 2 1 383.580 3.745 20 0 GHADMP CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000544191501 928914229 /nfs/dbraw/zinc/91/42/29/928914229.db2.gz ZEBZLRXXBUXKSP-GOSISDBHSA-N 2 1 375.582 3.542 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544262002 928993407 /nfs/dbraw/zinc/99/34/07/928993407.db2.gz GHNSUTGGILOOFQ-GASCZTMLSA-N 2 1 398.378 3.947 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000544262002 928993416 /nfs/dbraw/zinc/99/34/16/928993416.db2.gz GHNSUTGGILOOFQ-GASCZTMLSA-N 2 1 398.378 3.947 20 0 GHADMP CC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000752801776 929030416 /nfs/dbraw/zinc/03/04/16/929030416.db2.gz FHBXRPNYTWDYPO-SFHVURJKSA-N 2 1 391.625 3.970 20 0 GHADMP Cc1cc(C)c(CCNC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)c1 ZINC000544421015 929156901 /nfs/dbraw/zinc/15/69/01/929156901.db2.gz OMPWIMVTQZGDSC-RTWAWAEBSA-N 2 1 385.596 3.513 20 0 GHADMP Cc1cc(C)c(CCNC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000544421015 929156907 /nfs/dbraw/zinc/15/69/07/929156907.db2.gz OMPWIMVTQZGDSC-RTWAWAEBSA-N 2 1 385.596 3.513 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000544556019 929284318 /nfs/dbraw/zinc/28/43/18/929284318.db2.gz WFKWQZWZCNXKCQ-QFBILLFUSA-N 2 1 399.501 3.936 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000753547765 929406721 /nfs/dbraw/zinc/40/67/21/929406721.db2.gz VRLSSJIQAQIKAP-UZLBHIALSA-N 2 1 399.539 3.701 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000469424396 929873546 /nfs/dbraw/zinc/87/35/46/929873546.db2.gz MZQMAEMBHMRDKL-FCHUYYIVSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000469424396 929873552 /nfs/dbraw/zinc/87/35/52/929873552.db2.gz MZQMAEMBHMRDKL-FCHUYYIVSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000469424396 929873563 /nfs/dbraw/zinc/87/35/63/929873563.db2.gz MZQMAEMBHMRDKL-FCHUYYIVSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1CCCCCC1 ZINC000469731674 930118966 /nfs/dbraw/zinc/11/89/66/930118966.db2.gz REYWPJKGYSUDHC-LJQANCHMSA-N 2 1 383.536 3.792 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1CCCCCC1 ZINC000469731674 930118970 /nfs/dbraw/zinc/11/89/70/930118970.db2.gz REYWPJKGYSUDHC-LJQANCHMSA-N 2 1 383.536 3.792 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469787787 930162460 /nfs/dbraw/zinc/16/24/60/930162460.db2.gz RHIPGASOOYCKNC-WOJBJXKFSA-N 2 1 379.548 3.988 20 0 GHADMP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000469988461 930297954 /nfs/dbraw/zinc/29/79/54/930297954.db2.gz BBWBYQJATCSYBB-SFHVURJKSA-N 2 1 397.485 3.561 20 0 GHADMP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000469988461 930297962 /nfs/dbraw/zinc/29/79/62/930297962.db2.gz BBWBYQJATCSYBB-SFHVURJKSA-N 2 1 397.485 3.561 20 0 GHADMP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc(Br)c1OC(F)F ZINC000470018316 930318751 /nfs/dbraw/zinc/31/87/51/930318751.db2.gz NLHIMDQWEDUELG-SNVBAGLBSA-N 2 1 393.272 3.618 20 0 GHADMP C[C@@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(Cl)c1 ZINC000470198686 930447825 /nfs/dbraw/zinc/44/78/25/930447825.db2.gz UHCYDKTWOZYMTI-KRWDZBQOSA-N 2 1 385.939 3.621 20 0 GHADMP C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000470236059 930475399 /nfs/dbraw/zinc/47/53/99/930475399.db2.gz CLZXGZXDSNXSAN-RDPSFJRHSA-N 2 1 397.607 3.520 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000470736776 930870476 /nfs/dbraw/zinc/87/04/76/930870476.db2.gz LSYCJIJJWIYMSV-OAQYLSRUSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000782182334 931110778 /nfs/dbraw/zinc/11/07/78/931110778.db2.gz GPZYLEBRNLGZOJ-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000782182334 931110784 /nfs/dbraw/zinc/11/07/84/931110784.db2.gz GPZYLEBRNLGZOJ-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000782182334 931110786 /nfs/dbraw/zinc/11/07/86/931110786.db2.gz GPZYLEBRNLGZOJ-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000782182334 931110794 /nfs/dbraw/zinc/11/07/94/931110794.db2.gz GPZYLEBRNLGZOJ-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3ccccc3OC)C2=O)CC1)CC1CC1 ZINC000557187856 931257045 /nfs/dbraw/zinc/25/70/45/931257045.db2.gz VJVOEBPAJBXWII-JOCHJYFZSA-N 2 1 399.579 3.635 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)cc1)C(C)C ZINC000557203219 931270928 /nfs/dbraw/zinc/27/09/28/931270928.db2.gz HNJUWKBSMDOQRR-HSZRJFAPSA-N 2 1 397.563 3.958 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)C[C@@H]3c3ccco3)CC2)CC1 ZINC000557634524 931585760 /nfs/dbraw/zinc/58/57/60/931585760.db2.gz HXTMCPVWLVNNCC-GHTZIAJQSA-N 2 1 387.568 3.776 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)C3CCOCC3)CC2)cs1 ZINC000925029661 931618490 /nfs/dbraw/zinc/61/84/90/931618490.db2.gz DOHNUDAHNYPBHM-OAQYLSRUSA-N 2 1 377.598 3.712 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]3C)CC2)oc1C ZINC000925037022 931620481 /nfs/dbraw/zinc/62/04/81/931620481.db2.gz GRYNCVKEGUJXBC-XXBNENTESA-N 2 1 396.579 3.756 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1CC[NH+](CCC)CC1)c1ccc(Cl)cc1 ZINC000557748836 931648284 /nfs/dbraw/zinc/64/82/84/931648284.db2.gz NPCQQRJJVDOZDP-FQEVSTJZSA-N 2 1 394.991 3.897 20 0 GHADMP COc1ccccc1[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000925439056 931783439 /nfs/dbraw/zinc/78/34/39/931783439.db2.gz HRKFGGKBVGPZJK-YYDVJCTNSA-N 2 1 383.536 3.659 20 0 GHADMP COc1ccccc1[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000925439056 931783443 /nfs/dbraw/zinc/78/34/43/931783443.db2.gz HRKFGGKBVGPZJK-YYDVJCTNSA-N 2 1 383.536 3.659 20 0 GHADMP C[C@H](NC1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CCOCC1)c1ccccc1 ZINC000925518745 931809372 /nfs/dbraw/zinc/80/93/72/931809372.db2.gz ZNLXDZZANPWNES-VJBMBRPKSA-N 2 1 385.596 3.644 20 0 GHADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000558325132 931942204 /nfs/dbraw/zinc/94/22/04/931942204.db2.gz AIPPIHORZMEIME-IBGZPJMESA-N 2 1 397.485 3.660 20 0 GHADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000558325132 931942212 /nfs/dbraw/zinc/94/22/12/931942212.db2.gz AIPPIHORZMEIME-IBGZPJMESA-N 2 1 397.485 3.660 20 0 GHADMP Cc1cnccc1OC1CC[NH+]([C@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000558476915 932024830 /nfs/dbraw/zinc/02/48/30/932024830.db2.gz ZYXKAHOMAUFUAQ-NRFANRHFSA-N 2 1 397.494 3.876 20 0 GHADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000796696098 932032837 /nfs/dbraw/zinc/03/28/37/932032837.db2.gz QWXRCSOALJGVIP-DLBZAZTESA-N 2 1 376.545 3.623 20 0 GHADMP C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000558604780 932102989 /nfs/dbraw/zinc/10/29/89/932102989.db2.gz CVXDSYUDLJRCPC-TZIWHRDSSA-N 2 1 388.600 3.564 20 0 GHADMP COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000558725900 932195240 /nfs/dbraw/zinc/19/52/40/932195240.db2.gz UIXRXUUVXUWSEB-LJQANCHMSA-N 2 1 395.547 3.519 20 0 GHADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000558725900 932195243 /nfs/dbraw/zinc/19/52/43/932195243.db2.gz UIXRXUUVXUWSEB-LJQANCHMSA-N 2 1 395.547 3.519 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000558731870 932198954 /nfs/dbraw/zinc/19/89/54/932198954.db2.gz JJESJJASDGGVOE-HSZRJFAPSA-N 2 1 382.548 3.606 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCCc4c(Cl)ccnc43)C2)[C@@H]1C(C)C ZINC000926880855 932334896 /nfs/dbraw/zinc/33/48/96/932334896.db2.gz QFYZYLDOCGXAGH-SOMHSPELSA-N 2 1 377.960 3.572 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CCCc4c(Cl)ccnc43)C2)[C@H]1C(C)C ZINC000926880856 932335030 /nfs/dbraw/zinc/33/50/30/932335030.db2.gz QFYZYLDOCGXAGH-VLFNSIGCSA-N 2 1 377.960 3.572 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000559244786 932545600 /nfs/dbraw/zinc/54/56/00/932545600.db2.gz XUEMDHVKWAIPGN-GOSISDBHSA-N 2 1 379.976 3.921 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000559282426 932576573 /nfs/dbraw/zinc/57/65/73/932576573.db2.gz SONQTONALFPXOX-AZUAARDMSA-N 2 1 388.556 3.554 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000798429953 932644072 /nfs/dbraw/zinc/64/40/72/932644072.db2.gz UEJZCBAMRSSWLO-HSZRJFAPSA-N 2 1 388.600 3.707 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798499114 932672728 /nfs/dbraw/zinc/67/27/28/932672728.db2.gz MQZZPOAVZIXUKX-XMMPIXPASA-N 3 1 381.564 3.629 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cc1 ZINC000798499114 932672733 /nfs/dbraw/zinc/67/27/33/932672733.db2.gz MQZZPOAVZIXUKX-XMMPIXPASA-N 2 1 381.564 3.629 20 0 GHADMP C[NH+](C)CCOc1ccc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000798499114 932672739 /nfs/dbraw/zinc/67/27/39/932672739.db2.gz MQZZPOAVZIXUKX-XMMPIXPASA-N 2 1 381.564 3.629 20 0 GHADMP C[NH+](C)CCOc1ccc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798499114 932672744 /nfs/dbraw/zinc/67/27/44/932672744.db2.gz MQZZPOAVZIXUKX-XMMPIXPASA-N 2 1 381.564 3.629 20 0 GHADMP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000798935184 932823489 /nfs/dbraw/zinc/82/34/89/932823489.db2.gz NBTGDTCOHMJEJM-NTKDMRAZSA-N 2 1 395.547 3.914 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000799123738 932881941 /nfs/dbraw/zinc/88/19/41/932881941.db2.gz GCTMZMWDZADEAN-QFIPXVFZSA-N 2 1 387.568 3.699 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000799177814 932898203 /nfs/dbraw/zinc/89/82/03/932898203.db2.gz FNOMQCOFWCUCQP-IBGZPJMESA-N 2 1 379.548 3.825 20 0 GHADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000799177119 932898531 /nfs/dbraw/zinc/89/85/31/932898531.db2.gz LRJXRIZTQDMSBJ-QFIPXVFZSA-N 2 1 399.579 3.557 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)[NH+](C)C)cc1 ZINC000559921613 932955752 /nfs/dbraw/zinc/95/57/52/932955752.db2.gz CIDRFRBGNBOXMR-NRFANRHFSA-N 2 1 396.535 3.554 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000559923565 932958525 /nfs/dbraw/zinc/95/85/25/932958525.db2.gz MOPAAOXOBTYXSD-HOIMLPCSSA-N 2 1 382.552 3.634 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccccc1 ZINC000929762410 933620447 /nfs/dbraw/zinc/62/04/47/933620447.db2.gz ILNTUDLJLLFBOT-HSZRJFAPSA-N 2 1 391.559 3.504 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC001117438649 933939159 /nfs/dbraw/zinc/93/91/59/933939159.db2.gz KDZRPJFYQMZZLW-ZJQURUERSA-N 2 1 398.526 3.562 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CCCCCC1 ZINC001220723897 1032084659 /nfs/dbraw/zinc/08/46/59/1032084659.db2.gz SVERTNHQWDAUJJ-HXUWFJFHSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC[N@H+]1C ZINC001625873755 1014280517 /nfs/dbraw/zinc/28/05/17/1014280517.db2.gz OSRRQOAMDMINKV-GJZGRUSLSA-N 2 1 383.458 3.970 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)c1cccc(C(F)(F)F)c1 ZINC000468303018 1015564866 /nfs/dbraw/zinc/56/48/66/1015564866.db2.gz NWSNNAKCBUEMRD-QZTJIDSGSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC)c1cccc(C(F)(F)F)c1 ZINC000468303018 1015564875 /nfs/dbraw/zinc/56/48/75/1015564875.db2.gz NWSNNAKCBUEMRD-QZTJIDSGSA-N 2 1 385.474 3.689 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)c2)C1 ZINC000468426869 1015697902 /nfs/dbraw/zinc/69/79/02/1015697902.db2.gz HFGCCFFMKWOPGZ-SMIHKQSGSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN(Cc2ccccc2)C1 ZINC000468513429 1015766895 /nfs/dbraw/zinc/76/68/95/1015766895.db2.gz DFCALAQMSHCQKL-GMAHTHKFSA-N 2 1 385.596 3.522 20 0 GHADMP COc1cc2c(cc1C[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)OCO2 ZINC000545548128 1016020383 /nfs/dbraw/zinc/02/03/83/1016020383.db2.gz MLJPVESPZSNPTM-UHFFFAOYSA-N 2 1 394.515 3.912 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000468959470 1016274865 /nfs/dbraw/zinc/27/48/65/1016274865.db2.gz MLSMXIVUHBYFCV-RDTXWAMCSA-N 2 1 385.474 3.687 20 0 GHADMP C[N@@H+](Cc1c(F)ccc(Br)c1Br)CC1CC[NH2+]CC1 ZINC001235433348 1040934173 /nfs/dbraw/zinc/93/41/73/1040934173.db2.gz UICPYOBOQXFMRQ-UHFFFAOYSA-N 2 1 394.126 3.782 20 0 GHADMP C[N@H+](Cc1c(F)ccc(Br)c1Br)CC1CC[NH2+]CC1 ZINC001235433348 1040934176 /nfs/dbraw/zinc/93/41/76/1040934176.db2.gz UICPYOBOQXFMRQ-UHFFFAOYSA-N 2 1 394.126 3.782 20 0 GHADMP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](c3cc4ccccc4o3)c3ccccn3)C2)CC1 ZINC000925044021 1017033460 /nfs/dbraw/zinc/03/34/60/1017033460.db2.gz YYENAWUWOKCYOH-CYFREDJKSA-N 2 1 390.531 3.675 20 0 GHADMP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(F)cc1 ZINC001220859801 1032157487 /nfs/dbraw/zinc/15/74/87/1032157487.db2.gz NFEKEOTUADYSDH-FSSWDIPSSA-N 2 1 397.538 3.531 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C[C@@H]1C ZINC001220874523 1032164298 /nfs/dbraw/zinc/16/42/98/1032164298.db2.gz RUBHANPSBKYJIG-AABGKKOBSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C[C@@H]1C ZINC001220874523 1032164312 /nfs/dbraw/zinc/16/43/12/1032164312.db2.gz RUBHANPSBKYJIG-AABGKKOBSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C[C@@H]1C ZINC001220874523 1032164318 /nfs/dbraw/zinc/16/43/18/1032164318.db2.gz RUBHANPSBKYJIG-AABGKKOBSA-N 2 1 386.584 3.685 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1C1CC[NH2+]CC1 ZINC001221062896 1032261424 /nfs/dbraw/zinc/26/14/24/1032261424.db2.gz FASJPIRTSZOFQG-NRFANRHFSA-N 2 1 377.532 3.548 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC001221064754 1032262225 /nfs/dbraw/zinc/26/22/25/1032262225.db2.gz QJCAWEWHVJMRFG-AJSBUHFISA-N 2 1 394.563 3.642 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC001227109627 1032274233 /nfs/dbraw/zinc/27/42/33/1032274233.db2.gz VSMNLPFMYIUBFY-SLFFLAALSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001221443664 1032417818 /nfs/dbraw/zinc/41/78/18/1032417818.db2.gz GZMJUYXOSVJLJQ-TZIWHRDSSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC001221443664 1032417822 /nfs/dbraw/zinc/41/78/22/1032417822.db2.gz GZMJUYXOSVJLJQ-TZIWHRDSSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC001221443664 1032417828 /nfs/dbraw/zinc/41/78/28/1032417828.db2.gz GZMJUYXOSVJLJQ-TZIWHRDSSA-N 2 1 392.632 3.841 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CCC)CC2)CC[N@H+]1Cc1ccccc1 ZINC001227638435 1032496945 /nfs/dbraw/zinc/49/69/45/1032496945.db2.gz BQZDESBKFKJZTL-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(Cl)c1 ZINC001155357284 1032516494 /nfs/dbraw/zinc/51/64/94/1032516494.db2.gz CUELMJIAXDBTGB-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4ncccc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363170 1032519920 /nfs/dbraw/zinc/51/99/20/1032519920.db2.gz IVNLSNKEUUUIFS-FQEVSTJZSA-N 2 1 387.531 3.544 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ccc4cccnc4n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155363648 1032520231 /nfs/dbraw/zinc/52/02/31/1032520231.db2.gz MQNCNXSMBNYWOX-OAQYLSRUSA-N 2 1 387.531 3.544 20 0 GHADMP COC(=O)c1ccc(-c2ccc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)[nH+]c2C)cc1 ZINC001155833591 1032733171 /nfs/dbraw/zinc/73/31/71/1032733171.db2.gz LJSXNKRTEQSDNZ-NZQKXSOJSA-N 2 1 395.503 3.557 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)cc3)C2)CC1 ZINC000562516992 1018257708 /nfs/dbraw/zinc/25/77/08/1018257708.db2.gz MYNHJYCAOGAEEE-OAQYLSRUSA-N 2 1 383.511 3.830 20 0 GHADMP Cc1ccnc(-c2noc(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)n2)c1 ZINC000562697580 1018545001 /nfs/dbraw/zinc/54/50/01/1018545001.db2.gz PPVGUCUFXSQTEF-SFHVURJKSA-N 2 1 383.540 3.917 20 0 GHADMP Cc1ccnc(-c2noc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)n2)c1 ZINC000562697580 1018545011 /nfs/dbraw/zinc/54/50/11/1018545011.db2.gz PPVGUCUFXSQTEF-SFHVURJKSA-N 2 1 383.540 3.917 20 0 GHADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000567236225 1019277691 /nfs/dbraw/zinc/27/76/91/1019277691.db2.gz ZRHXQGSZRZWUFW-PUHATCMVSA-N 2 1 377.532 3.508 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000568502306 1019414214 /nfs/dbraw/zinc/41/42/14/1019414214.db2.gz PLTFXEYLOVIZJN-NQIIRXRSSA-N 2 1 393.531 3.723 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccco1 ZINC001228191861 1032833071 /nfs/dbraw/zinc/83/30/71/1032833071.db2.gz SNGVACBUSAUCOF-SESVDKBCSA-N 2 1 398.551 3.591 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000574232601 1019855009 /nfs/dbraw/zinc/85/50/09/1019855009.db2.gz AAWBDEODOVHXMK-VGOFRKELSA-N 2 1 397.588 3.574 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000574232601 1019855019 /nfs/dbraw/zinc/85/50/19/1019855019.db2.gz AAWBDEODOVHXMK-VGOFRKELSA-N 2 1 397.588 3.574 20 0 GHADMP c1nc2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)ccc2[nH]1 ZINC000574783796 1019909685 /nfs/dbraw/zinc/90/96/85/1019909685.db2.gz UNBOSTDSEOPTBH-OAQYLSRUSA-N 2 1 390.531 3.581 20 0 GHADMP c1nc2ccc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)cc2[nH]1 ZINC000574783796 1019909688 /nfs/dbraw/zinc/90/96/88/1019909688.db2.gz UNBOSTDSEOPTBH-OAQYLSRUSA-N 2 1 390.531 3.581 20 0 GHADMP c1nc2ccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)cc2[nH]1 ZINC000574783796 1019909689 /nfs/dbraw/zinc/90/96/89/1019909689.db2.gz UNBOSTDSEOPTBH-OAQYLSRUSA-N 2 1 390.531 3.581 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000601236683 1020318121 /nfs/dbraw/zinc/31/81/21/1020318121.db2.gz QLIYXFZLOYRCDR-UGKGYDQZSA-N 2 1 386.584 3.591 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC001204493756 1032926621 /nfs/dbraw/zinc/92/66/21/1032926621.db2.gz VDRHTJKZWSPVRI-MDNUFGMLSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC001204493756 1032926624 /nfs/dbraw/zinc/92/66/24/1032926624.db2.gz VDRHTJKZWSPVRI-MDNUFGMLSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC001204493756 1032926627 /nfs/dbraw/zinc/92/66/27/1032926627.db2.gz VDRHTJKZWSPVRI-MDNUFGMLSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC001204493756 1032926636 /nfs/dbraw/zinc/92/66/36/1032926636.db2.gz VDRHTJKZWSPVRI-MDNUFGMLSA-N 2 1 377.532 3.749 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245541636 1021013982 /nfs/dbraw/zinc/01/39/82/1021013982.db2.gz JGFFZSYJWQCKPA-UMQXSMKFSA-N 2 1 379.589 3.875 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000638359539 1021040007 /nfs/dbraw/zinc/04/00/07/1021040007.db2.gz BWQOQRQALPCOMI-GOSISDBHSA-N 2 1 395.547 3.825 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cccn3C3CC[NH2+]CC3)cc2)C1 ZINC000645500985 1021123685 /nfs/dbraw/zinc/12/36/85/1021123685.db2.gz QQZVDPQRBZWGFW-IBGZPJMESA-N 2 1 394.563 3.575 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4nc(N5CCCCC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001156318207 1032981945 /nfs/dbraw/zinc/98/19/45/1032981945.db2.gz QGEVFXWDIZDQSZ-PCCBWWKXSA-N 2 1 377.536 3.789 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4nc(N5CCCCC5)cc[nH+]4)[C@H]3C2)cc1 ZINC001156318207 1032981949 /nfs/dbraw/zinc/98/19/49/1032981949.db2.gz QGEVFXWDIZDQSZ-PCCBWWKXSA-N 2 1 377.536 3.789 20 0 GHADMP COc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001140477230 1021773051 /nfs/dbraw/zinc/77/30/51/1021773051.db2.gz LRCACKBRPZNHMN-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP COc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001140477230 1021773066 /nfs/dbraw/zinc/77/30/66/1021773066.db2.gz LRCACKBRPZNHMN-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP COc1cc(F)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001140476893 1021773762 /nfs/dbraw/zinc/77/37/62/1021773762.db2.gz BSQDGYRBGLIIJC-LJQANCHMSA-N 2 1 388.483 3.683 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000678131419 1021907447 /nfs/dbraw/zinc/90/74/47/1021907447.db2.gz RTRCWLVQUWQPOO-UHFFFAOYSA-N 2 1 376.504 3.793 20 0 GHADMP Cc1ccc(F)cc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001140591624 1022026486 /nfs/dbraw/zinc/02/64/86/1022026486.db2.gz FKCKORDMWKKKKX-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C(=O)NC(C)C)cc4)C[C@@H]3C2)cc1 ZINC001140615221 1022075553 /nfs/dbraw/zinc/07/55/53/1022075553.db2.gz XZKHCPRZVKYLMV-ZEQRLZLVSA-N 2 1 391.559 3.697 20 0 GHADMP C[N@H+](Cc1cc(Br)ccc1Br)CC1CC[NH+](C)CC1 ZINC001140633275 1022118653 /nfs/dbraw/zinc/11/86/53/1022118653.db2.gz QTEBJMZWOLEACF-UHFFFAOYSA-N 2 1 390.163 3.985 20 0 GHADMP CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC001204690743 1033031777 /nfs/dbraw/zinc/03/17/77/1033031777.db2.gz GOXFNSLYBXPAJX-UHFFFAOYSA-N 2 1 379.508 3.804 20 0 GHADMP CC(C[NH+]1CC[C@@H](Cc2ccncc2)C1)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680888967 1022242445 /nfs/dbraw/zinc/24/24/45/1022242445.db2.gz MMZSOLWFGVGETN-ZEQRLZLVSA-N 2 1 378.564 3.542 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000754675106 1022825196 /nfs/dbraw/zinc/82/51/96/1022825196.db2.gz PAPGUQTWLPYQRU-IBGZPJMESA-N 2 1 385.577 3.750 20 0 GHADMP Fc1ccccc1COc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000754823038 1022914647 /nfs/dbraw/zinc/91/46/47/1022914647.db2.gz XJUVQVQPILMUKW-UHFFFAOYSA-N 2 1 397.538 3.618 20 0 GHADMP c1cc2c(cc1CN1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)OCCO2 ZINC001141039812 1023360274 /nfs/dbraw/zinc/36/02/74/1023360274.db2.gz CTSZASNKKWWUEB-FBHSLPMESA-N 2 1 380.532 3.853 20 0 GHADMP c1cc2c(cc1C[N@@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)OCCO2 ZINC001141039812 1023360280 /nfs/dbraw/zinc/36/02/80/1023360280.db2.gz CTSZASNKKWWUEB-FBHSLPMESA-N 2 1 380.532 3.853 20 0 GHADMP c1cc2c(cc1C[N@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)OCCO2 ZINC001141039812 1023360288 /nfs/dbraw/zinc/36/02/88/1023360288.db2.gz CTSZASNKKWWUEB-FBHSLPMESA-N 2 1 380.532 3.853 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000757017912 1023908819 /nfs/dbraw/zinc/90/88/19/1023908819.db2.gz RNHFRHXGLNJUGT-JOCHJYFZSA-N 2 1 384.568 3.517 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000757017912 1023908825 /nfs/dbraw/zinc/90/88/25/1023908825.db2.gz RNHFRHXGLNJUGT-JOCHJYFZSA-N 2 1 384.568 3.517 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(N(C)C)c4)CC3)C2)cc1 ZINC001141264049 1024332811 /nfs/dbraw/zinc/33/28/11/1024332811.db2.gz RBZQMARZXHVBEK-UHFFFAOYSA-N 2 1 393.575 3.928 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC001138275429 1024524953 /nfs/dbraw/zinc/52/49/53/1024524953.db2.gz RXYAFOHJLMNFAV-QGZVFWFLSA-N 2 1 384.471 3.695 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)s1 ZINC001138275429 1024524962 /nfs/dbraw/zinc/52/49/62/1024524962.db2.gz RXYAFOHJLMNFAV-QGZVFWFLSA-N 2 1 384.471 3.695 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC001138275429 1024525003 /nfs/dbraw/zinc/52/50/03/1024525003.db2.gz RXYAFOHJLMNFAV-QGZVFWFLSA-N 2 1 384.471 3.695 20 0 GHADMP CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001138434220 1024838280 /nfs/dbraw/zinc/83/82/80/1024838280.db2.gz OMTKCGBOGHNINQ-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001138434220 1024838296 /nfs/dbraw/zinc/83/82/96/1024838296.db2.gz OMTKCGBOGHNINQ-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP CCOc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(C)c1 ZINC001138434220 1024838318 /nfs/dbraw/zinc/83/83/18/1024838318.db2.gz OMTKCGBOGHNINQ-ISKFKSNPSA-N 2 1 395.547 3.512 20 0 GHADMP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@H]1c1ccccc1 ZINC001138544424 1024988674 /nfs/dbraw/zinc/98/86/74/1024988674.db2.gz HTDJYVDCYUEOPZ-YADHBBJMSA-N 2 1 375.472 3.917 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@H]1c1ccccc1 ZINC001138544424 1024988676 /nfs/dbraw/zinc/98/86/76/1024988676.db2.gz HTDJYVDCYUEOPZ-YADHBBJMSA-N 2 1 375.472 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC001138550195 1024998394 /nfs/dbraw/zinc/99/83/94/1024998394.db2.gz NZXQXMFDBRCLFC-UHFFFAOYSA-N 2 1 380.536 3.842 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)n1 ZINC001138550553 1024999183 /nfs/dbraw/zinc/99/91/83/1024999183.db2.gz WYSKKTXDLOPRSX-FQEVSTJZSA-N 2 1 378.476 3.628 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)n1 ZINC001138550553 1024999184 /nfs/dbraw/zinc/99/91/84/1024999184.db2.gz WYSKKTXDLOPRSX-FQEVSTJZSA-N 2 1 378.476 3.628 20 0 GHADMP COC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@H]1c1ccccc1 ZINC001138551464 1025004473 /nfs/dbraw/zinc/00/44/73/1025004473.db2.gz HTDJYVDCYUEOPZ-VXKWHMMOSA-N 2 1 375.472 3.917 20 0 GHADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)[C@H]1c1ccccc1 ZINC001138551464 1025004484 /nfs/dbraw/zinc/00/44/84/1025004484.db2.gz HTDJYVDCYUEOPZ-VXKWHMMOSA-N 2 1 375.472 3.917 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1cnc3[nH]ccc3c1)C2 ZINC001138738706 1025275174 /nfs/dbraw/zinc/27/51/74/1025275174.db2.gz VRNYWEJUEVMQFE-UHFFFAOYSA-N 2 1 387.487 3.741 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000838972486 1025490016 /nfs/dbraw/zinc/49/00/16/1025490016.db2.gz MASZQVAXOWFAEL-AZUAARDMSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000838972486 1025490019 /nfs/dbraw/zinc/49/00/19/1025490019.db2.gz MASZQVAXOWFAEL-AZUAARDMSA-N 2 1 387.568 3.934 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)ccc1F ZINC001205180323 1033286931 /nfs/dbraw/zinc/28/69/31/1033286931.db2.gz KVVLSEYXLKAVCZ-YMPZKCBVSA-N 2 1 390.543 3.614 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001141557405 1025533034 /nfs/dbraw/zinc/53/30/34/1025533034.db2.gz FXHMQXSJSHZTLT-RPWUZVMVSA-N 2 1 391.559 3.647 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cnc1Cl)CC2 ZINC001138893042 1025541155 /nfs/dbraw/zinc/54/11/55/1025541155.db2.gz UPKPIUGIZPDFBW-QGZVFWFLSA-N 2 1 393.890 3.723 20 0 GHADMP C[C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000839107178 1025607064 /nfs/dbraw/zinc/60/70/64/1025607064.db2.gz CHSZVHCGONBBLF-VGOFRKELSA-N 2 1 388.556 3.533 20 0 GHADMP CCCOc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001138997910 1025741943 /nfs/dbraw/zinc/74/19/43/1025741943.db2.gz GGCWRYYHFJDXDC-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001138997910 1025741964 /nfs/dbraw/zinc/74/19/64/1025741964.db2.gz GGCWRYYHFJDXDC-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001138997910 1025741985 /nfs/dbraw/zinc/74/19/85/1025741985.db2.gz GGCWRYYHFJDXDC-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001138997625 1025743079 /nfs/dbraw/zinc/74/30/79/1025743079.db2.gz DLQQAJRNDWLXHJ-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001138997625 1025743094 /nfs/dbraw/zinc/74/30/94/1025743094.db2.gz DLQQAJRNDWLXHJ-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCOc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001138997625 1025743106 /nfs/dbraw/zinc/74/31/06/1025743106.db2.gz DLQQAJRNDWLXHJ-ISKFKSNPSA-N 2 1 395.547 3.593 20 0 GHADMP CCCn1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cn1 ZINC001139038907 1025816592 /nfs/dbraw/zinc/81/65/92/1025816592.db2.gz MRGWGLFEWVEEII-JOCHJYFZSA-N 2 1 382.552 3.549 20 0 GHADMP Cc1ccccc1C(=O)N1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001461038177 1069353454 /nfs/dbraw/zinc/35/34/54/1069353454.db2.gz LVXGAHFXWHODLX-UHFFFAOYSA-N 2 1 391.559 3.638 20 0 GHADMP Cc1ccccc1C(=O)N1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC001461038177 1069353462 /nfs/dbraw/zinc/35/34/62/1069353462.db2.gz LVXGAHFXWHODLX-UHFFFAOYSA-N 2 1 391.559 3.638 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)nc1OC ZINC001139104745 1025912987 /nfs/dbraw/zinc/91/29/87/1025912987.db2.gz ZEKSJXPFIQFJGP-UHFFFAOYSA-N 2 1 387.549 3.648 20 0 GHADMP CC(C)(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC001141623202 1025932359 /nfs/dbraw/zinc/93/23/59/1025932359.db2.gz YKYJTBWEUWYUMB-IBGZPJMESA-N 2 1 377.960 3.858 20 0 GHADMP CNc1cc(Cl)cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934593 1025972606 /nfs/dbraw/zinc/97/26/06/1025972606.db2.gz ZONBWNDHIJSVON-SFHVURJKSA-N 2 1 399.970 3.690 20 0 GHADMP [NH3+][C@H]1CCc2c1cccc2NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940454 1025977640 /nfs/dbraw/zinc/97/76/40/1025977640.db2.gz DVBVZRMJPDPKJT-OFNKIYASSA-N 3 1 390.575 3.546 20 0 GHADMP C[C@H]([NH3+])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162940667 1025977837 /nfs/dbraw/zinc/97/78/37/1025977837.db2.gz JYATWAAWVWOKGD-UGKGYDQZSA-N 3 1 378.564 3.620 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2C1 ZINC001461053737 1069364248 /nfs/dbraw/zinc/36/42/48/1069364248.db2.gz WSNUDJWRPXGMBS-NHCUHLMSSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cc2C1 ZINC001461053737 1069364254 /nfs/dbraw/zinc/36/42/54/1069364254.db2.gz WSNUDJWRPXGMBS-NHCUHLMSSA-N 2 1 385.552 3.696 20 0 GHADMP COc1cc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1OC ZINC001461055525 1069364919 /nfs/dbraw/zinc/36/49/19/1069364919.db2.gz OAASXQXWTXBOBX-KDURUIRLSA-N 2 1 398.547 3.911 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)cc3N3CCCCC3)C[C@@H]2C1 ZINC001139252281 1026102136 /nfs/dbraw/zinc/10/21/36/1026102136.db2.gz XIICUFIJPMVUFW-AEFFLSMTSA-N 2 1 392.385 3.823 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Br)cc3N3CCCCC3)C[C@@H]2C1 ZINC001139252281 1026102141 /nfs/dbraw/zinc/10/21/41/1026102141.db2.gz XIICUFIJPMVUFW-AEFFLSMTSA-N 2 1 392.385 3.823 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@@H]2C1 ZINC001139252281 1026102147 /nfs/dbraw/zinc/10/21/47/1026102147.db2.gz XIICUFIJPMVUFW-AEFFLSMTSA-N 2 1 392.385 3.823 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@@H]2C1 ZINC001139252281 1026102155 /nfs/dbraw/zinc/10/21/55/1026102155.db2.gz XIICUFIJPMVUFW-AEFFLSMTSA-N 2 1 392.385 3.823 20 0 GHADMP Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)c12 ZINC001163278006 1026121114 /nfs/dbraw/zinc/12/11/14/1026121114.db2.gz GAJBGJXUJGQUPP-VGOFRKELSA-N 2 1 383.540 3.734 20 0 GHADMP C[NH+](C)CC1CCC(Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001163298764 1026130087 /nfs/dbraw/zinc/13/00/87/1026130087.db2.gz HGDUIYUGSKETLE-UHFFFAOYSA-N 2 1 387.528 3.510 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1CC3(C1)CC[NH+](C)CC3)cn2C(=O)OC(C)(C)C ZINC001139297843 1026150914 /nfs/dbraw/zinc/15/09/14/1026150914.db2.gz LGOSZAQGGIBQGL-UHFFFAOYSA-N 2 1 399.535 3.961 20 0 GHADMP COc1ccc([C@H](O)C[N@@H+](CCn2ccnc2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839645429 1026154888 /nfs/dbraw/zinc/15/48/88/1026154888.db2.gz BQORMRJTHKJWHV-NTKDMRAZSA-N 2 1 393.531 3.867 20 0 GHADMP COc1ccc([C@H](O)C[N@H+](CCn2cc[nH+]c2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839645429 1026154895 /nfs/dbraw/zinc/15/48/95/1026154895.db2.gz BQORMRJTHKJWHV-NTKDMRAZSA-N 2 1 393.531 3.867 20 0 GHADMP COc1ccc([C@H](O)C[N@@H+](CCn2cc[nH+]c2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839645429 1026154901 /nfs/dbraw/zinc/15/49/01/1026154901.db2.gz BQORMRJTHKJWHV-NTKDMRAZSA-N 2 1 393.531 3.867 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001139335312 1026196721 /nfs/dbraw/zinc/19/67/21/1026196721.db2.gz LSEYLXXUHFVLOU-VWNXMTODSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001139335312 1026196728 /nfs/dbraw/zinc/19/67/28/1026196728.db2.gz LSEYLXXUHFVLOU-VWNXMTODSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3cc(O)ccc3c1)C2 ZINC001139335312 1026196733 /nfs/dbraw/zinc/19/67/33/1026196733.db2.gz LSEYLXXUHFVLOU-VWNXMTODSA-N 2 1 380.532 3.726 20 0 GHADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001139361374 1026234913 /nfs/dbraw/zinc/23/49/13/1026234913.db2.gz KLVWNXVIGYNQMS-QKWZMAAQSA-N 2 1 399.579 3.554 20 0 GHADMP CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513412 1026367414 /nfs/dbraw/zinc/36/74/14/1026367414.db2.gz SNMKIXLRLKJCFK-DEOSSOPVSA-N 2 1 392.591 3.535 20 0 GHADMP CN(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513412 1026367426 /nfs/dbraw/zinc/36/74/26/1026367426.db2.gz SNMKIXLRLKJCFK-DEOSSOPVSA-N 2 1 392.591 3.535 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H](O)CC1 ZINC001139513026 1026367551 /nfs/dbraw/zinc/36/75/51/1026367551.db2.gz BWCUBCYAKHAFAQ-RQNOJGIXSA-N 2 1 393.575 3.744 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001139514240 1026370510 /nfs/dbraw/zinc/37/05/10/1026370510.db2.gz KCYYQSCYJVULLR-BWKNWUBXSA-N 2 1 393.575 3.602 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](C)CC[C@H]2C[NH3+])n1 ZINC001164074706 1026402372 /nfs/dbraw/zinc/40/23/72/1026402372.db2.gz WBAYWWDEZJREFM-BBRMVZONSA-N 2 1 375.586 3.714 20 0 GHADMP Fc1cccc2nc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC001139572313 1026440896 /nfs/dbraw/zinc/44/08/96/1026440896.db2.gz NDMAWXPESFMWQD-VQTJNVASSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC001139572313 1026440899 /nfs/dbraw/zinc/44/08/99/1026440899.db2.gz NDMAWXPESFMWQD-VQTJNVASSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC001139572313 1026440902 /nfs/dbraw/zinc/44/09/02/1026440902.db2.gz NDMAWXPESFMWQD-VQTJNVASSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC001139572313 1026440907 /nfs/dbraw/zinc/44/09/07/1026440907.db2.gz NDMAWXPESFMWQD-VQTJNVASSA-N 2 1 378.495 3.817 20 0 GHADMP CC(C)COc1cc(Br)cc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001164216794 1026455386 /nfs/dbraw/zinc/45/53/86/1026455386.db2.gz LEFVCHNXPCFATQ-UHFFFAOYSA-N 2 1 398.389 3.922 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4cccnc4)cc3)CC2)C1 ZINC001139645761 1026507046 /nfs/dbraw/zinc/50/70/46/1026507046.db2.gz SWFZSOPBHMXADL-QFIPXVFZSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4cccnc4)cc3)CC2)C1 ZINC001139645761 1026507054 /nfs/dbraw/zinc/50/70/54/1026507054.db2.gz SWFZSOPBHMXADL-QFIPXVFZSA-N 2 1 393.531 3.598 20 0 GHADMP C[C@H]1CC[C@H](C[NH3+])CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001164475404 1026521196 /nfs/dbraw/zinc/52/11/96/1026521196.db2.gz ZQQOFBCUNRRJRL-JKSUJKDBSA-N 2 1 395.576 3.984 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001139710273 1026554971 /nfs/dbraw/zinc/55/49/71/1026554971.db2.gz OUEPYOZRDYXQIV-IBGZPJMESA-N 2 1 384.520 3.858 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]3C[NH+](C)C)c2c1C ZINC001165076005 1026589322 /nfs/dbraw/zinc/58/93/22/1026589322.db2.gz FURXODYRTNZPKY-QGZVFWFLSA-N 2 1 387.597 3.824 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc([C@@H]3CCCC[NH+]3CC)cn2)CC1 ZINC001165113330 1026614498 /nfs/dbraw/zinc/61/44/98/1026614498.db2.gz QKBUPEQQBNQACA-YADHBBJMSA-N 2 1 386.584 3.708 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN(c2ccc([C@@H]3CCCC[N@@H+]3CC)cn2)CC1 ZINC001165113330 1026614502 /nfs/dbraw/zinc/61/45/02/1026614502.db2.gz QKBUPEQQBNQACA-YADHBBJMSA-N 2 1 386.584 3.708 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN(c2ccc([C@@H]3CCCC[N@H+]3CC)cn2)CC1 ZINC001165113330 1026614506 /nfs/dbraw/zinc/61/45/06/1026614506.db2.gz QKBUPEQQBNQACA-YADHBBJMSA-N 2 1 386.584 3.708 20 0 GHADMP C[C@@H]1CN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202601 1026664485 /nfs/dbraw/zinc/66/44/85/1026664485.db2.gz VWQGMTBPUFVRIQ-SJORKVTESA-N 2 1 399.970 3.696 20 0 GHADMP C[N@@H+]1CCC[C@H](CCNc2[nH+]cnc3c2ccn3COCC[Si](C)(C)C)C1 ZINC001165252618 1026680161 /nfs/dbraw/zinc/68/01/61/1026680161.db2.gz IOVZIBTWDYDJDY-QGZVFWFLSA-N 2 1 389.620 3.887 20 0 GHADMP C[N@H+]1CCC[C@H](CCNc2[nH+]cnc3c2ccn3COCC[Si](C)(C)C)C1 ZINC001165252618 1026680164 /nfs/dbraw/zinc/68/01/64/1026680164.db2.gz IOVZIBTWDYDJDY-QGZVFWFLSA-N 2 1 389.620 3.887 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC001165368517 1026714106 /nfs/dbraw/zinc/71/41/06/1026714106.db2.gz VJJKRWLJQMNTSS-HXUWFJFHSA-N 2 1 394.563 3.900 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC001165368517 1026714115 /nfs/dbraw/zinc/71/41/15/1026714115.db2.gz VJJKRWLJQMNTSS-HXUWFJFHSA-N 2 1 394.563 3.900 20 0 GHADMP CCOC[C@H]1CN(Cc2ccccc2-n2ccnc2C)Cc2cn(CC)nc21 ZINC001140025630 1026813674 /nfs/dbraw/zinc/81/36/74/1026813674.db2.gz QUESJYHUQZSSNQ-HXUWFJFHSA-N 2 1 379.508 3.533 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)ccc1C ZINC001140158174 1026931114 /nfs/dbraw/zinc/93/11/14/1026931114.db2.gz DGRKAYFKJFPAHY-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)ccc1C ZINC001140159112 1026932799 /nfs/dbraw/zinc/93/27/99/1026932799.db2.gz RRQPSPHCNORTSF-VJBWXMMDSA-N 2 1 394.563 3.575 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)ccc1C ZINC001140159112 1026932801 /nfs/dbraw/zinc/93/28/01/1026932801.db2.gz RRQPSPHCNORTSF-VJBWXMMDSA-N 2 1 394.563 3.575 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)ccc1C ZINC001140159112 1026932807 /nfs/dbraw/zinc/93/28/07/1026932807.db2.gz RRQPSPHCNORTSF-VJBWXMMDSA-N 2 1 394.563 3.575 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)ccc1C ZINC001140159112 1026932813 /nfs/dbraw/zinc/93/28/13/1026932813.db2.gz RRQPSPHCNORTSF-VJBWXMMDSA-N 2 1 394.563 3.575 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(C)cc1O ZINC001140199159 1026971838 /nfs/dbraw/zinc/97/18/38/1026971838.db2.gz IEUWBGVKMGUVNV-JOCHJYFZSA-N 2 1 395.547 3.660 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(C)cc1O ZINC001140201103 1026975499 /nfs/dbraw/zinc/97/54/99/1026975499.db2.gz ULECIYDVXUQXFT-ZCYQVOJMSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)cc1O ZINC001140201103 1026975504 /nfs/dbraw/zinc/97/55/04/1026975504.db2.gz ULECIYDVXUQXFT-ZCYQVOJMSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(C)cc1O ZINC001140201103 1026975509 /nfs/dbraw/zinc/97/55/09/1026975509.db2.gz ULECIYDVXUQXFT-ZCYQVOJMSA-N 2 1 398.591 3.970 20 0 GHADMP C[NH+](C)CCN1CC[NH+](Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC001140214187 1026990615 /nfs/dbraw/zinc/99/06/15/1026990615.db2.gz XZDOCNDBMVNDMC-UHFFFAOYSA-N 2 1 398.498 3.508 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(c2ccccc2)CC1 ZINC001166997467 1027187306 /nfs/dbraw/zinc/18/73/06/1027187306.db2.gz SNGLBRZNTAWWCX-YKSBVNFPSA-N 2 1 391.559 3.645 20 0 GHADMP Fc1cc(Cl)cc(Br)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266926 1027413294 /nfs/dbraw/zinc/41/32/94/1027413294.db2.gz UERWSWLFZGYNFR-UHFFFAOYSA-N 2 1 385.668 3.790 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(Br)cc3)CC2)s1 ZINC001203583667 1027452862 /nfs/dbraw/zinc/45/28/62/1027452862.db2.gz SWOYOHUBKBBXLO-UHFFFAOYSA-N 2 1 380.355 3.789 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC001210494157 1027531841 /nfs/dbraw/zinc/53/18/41/1027531841.db2.gz QKGFEOPPOZBWLH-QFIPXVFZSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC001210494157 1027531850 /nfs/dbraw/zinc/53/18/50/1027531850.db2.gz QKGFEOPPOZBWLH-QFIPXVFZSA-N 2 1 396.535 3.715 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203784491 1027603039 /nfs/dbraw/zinc/60/30/39/1027603039.db2.gz DGVUCKUOUBLVHE-JOCHJYFZSA-N 2 1 390.543 3.555 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837274 1027672061 /nfs/dbraw/zinc/67/20/61/1027672061.db2.gz OTPOWGYJCGAGFE-PMACEKPBSA-N 2 1 378.605 3.595 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203890547 1027685698 /nfs/dbraw/zinc/68/56/98/1027685698.db2.gz JCQMREVCQPNUFB-FQEVSTJZSA-N 2 1 385.577 3.955 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203890547 1027685701 /nfs/dbraw/zinc/68/57/01/1027685701.db2.gz JCQMREVCQPNUFB-FQEVSTJZSA-N 2 1 385.577 3.955 20 0 GHADMP Clc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001203921570 1027711063 /nfs/dbraw/zinc/71/10/63/1027711063.db2.gz RAEGOMVCEDAIAP-UHFFFAOYSA-N 2 1 385.939 3.850 20 0 GHADMP Clc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001203920918 1027711155 /nfs/dbraw/zinc/71/11/55/1027711155.db2.gz SQOCREICUPJNHQ-UHFFFAOYSA-N 2 1 385.939 3.850 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC001203926566 1027718618 /nfs/dbraw/zinc/71/86/18/1027718618.db2.gz QMHRCWFMCBPSFM-UHFFFAOYSA-N 2 1 393.531 3.512 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc(-c2ccccn2)n[nH]1 ZINC001461286430 1069481671 /nfs/dbraw/zinc/48/16/71/1069481671.db2.gz PDLGAIFLEZIMMI-CYGODWOOSA-N 2 1 375.520 3.718 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001461286430 1069481674 /nfs/dbraw/zinc/48/16/74/1069481674.db2.gz PDLGAIFLEZIMMI-CYGODWOOSA-N 2 1 375.520 3.718 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001141980647 1027803607 /nfs/dbraw/zinc/80/36/07/1027803607.db2.gz ADCNDPJWXWGUNW-HSZRJFAPSA-N 2 1 383.536 3.973 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001141980647 1027803625 /nfs/dbraw/zinc/80/36/25/1027803625.db2.gz ADCNDPJWXWGUNW-HSZRJFAPSA-N 2 1 383.536 3.973 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccccc3-n3cncn3)cc2)CC1 ZINC001461295813 1069485699 /nfs/dbraw/zinc/48/56/99/1069485699.db2.gz CJFTWJNVGHNZPM-UHFFFAOYSA-N 2 1 390.535 3.657 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000840808232 1027849425 /nfs/dbraw/zinc/84/94/25/1027849425.db2.gz APNRVUAVYXSVHS-AEFFLSMTSA-N 2 1 390.572 3.797 20 0 GHADMP CC(=O)NCCn1c2ccccc2[nH+]c1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204109529 1027879877 /nfs/dbraw/zinc/87/98/77/1027879877.db2.gz PTIDYYNBWWAKCJ-UHFFFAOYSA-N 2 1 391.519 3.902 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001211294272 1027895679 /nfs/dbraw/zinc/89/56/79/1027895679.db2.gz ABLCVINGEFSYSB-ONTIZHBOSA-N 2 1 388.600 3.879 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000840866932 1027904321 /nfs/dbraw/zinc/90/43/21/1027904321.db2.gz ZXCXYKWVZALNAA-QIJUGHKUSA-N 2 1 381.520 3.607 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000840866932 1027904333 /nfs/dbraw/zinc/90/43/33/1027904333.db2.gz ZXCXYKWVZALNAA-QIJUGHKUSA-N 2 1 381.520 3.607 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCC1(C)C ZINC001142070227 1028026272 /nfs/dbraw/zinc/02/62/72/1028026272.db2.gz FTFNTUHMRMHAEI-LJQANCHMSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC001142070227 1028026290 /nfs/dbraw/zinc/02/62/90/1028026290.db2.gz FTFNTUHMRMHAEI-LJQANCHMSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@H+]1CCCC1(C)C ZINC001142070227 1028026314 /nfs/dbraw/zinc/02/63/14/1028026314.db2.gz FTFNTUHMRMHAEI-LJQANCHMSA-N 2 1 387.568 3.544 20 0 GHADMP COc1ccc(OCc2nc(C[NH2+]Cc3ccc(CC[NH3+])cc3)cs2)cc1 ZINC000841031905 1028055818 /nfs/dbraw/zinc/05/58/18/1028055818.db2.gz AYHXEGFPYKDDIO-UHFFFAOYSA-N 2 1 383.517 3.522 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000841309489 1028404783 /nfs/dbraw/zinc/40/47/83/1028404783.db2.gz QQHKZDPFGWUZOM-HSZRJFAPSA-N 2 1 380.536 3.830 20 0 GHADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000123746744 1028789282 /nfs/dbraw/zinc/78/92/82/1028789282.db2.gz NGRZTTFSJCANJZ-ZVDOUQERSA-N 2 1 382.552 3.721 20 0 GHADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000123746744 1028789294 /nfs/dbraw/zinc/78/92/94/1028789294.db2.gz NGRZTTFSJCANJZ-ZVDOUQERSA-N 2 1 382.552 3.721 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)N1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001142588236 1029114455 /nfs/dbraw/zinc/11/44/55/1029114455.db2.gz LHPOWQQEEYQSOZ-UHFFFAOYSA-N 2 1 391.559 3.651 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001215960136 1029471804 /nfs/dbraw/zinc/47/18/04/1029471804.db2.gz DKAVTEIRHMRNLK-QFIPXVFZSA-N 2 1 386.584 3.957 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1=O ZINC001461546255 1069602226 /nfs/dbraw/zinc/60/22/26/1069602226.db2.gz CVQHSNNYJXZEPL-OAQYLSRUSA-N 2 1 389.543 3.930 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1=O ZINC001461546255 1069602230 /nfs/dbraw/zinc/60/22/30/1069602230.db2.gz CVQHSNNYJXZEPL-OAQYLSRUSA-N 2 1 389.543 3.930 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000842924628 1029689686 /nfs/dbraw/zinc/68/96/86/1029689686.db2.gz QZMVLODXUIYFSZ-FYZZASKESA-N 2 1 387.568 3.709 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843055833 1029789409 /nfs/dbraw/zinc/78/94/09/1029789409.db2.gz PVUOSTQXBYJRIY-UHFFFAOYSA-N 2 1 377.330 3.645 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1c2ccccc2CCc2ccccc21 ZINC000843364843 1029942033 /nfs/dbraw/zinc/94/20/33/1029942033.db2.gz YZGUBGIJVZZXOJ-UHFFFAOYSA-N 2 1 375.516 3.525 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363683 1029942187 /nfs/dbraw/zinc/94/21/87/1029942187.db2.gz JDNWFYZVCDPLHQ-SFHVURJKSA-N 2 1 379.504 3.881 20 0 GHADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Oc2ccccc2)cc1 ZINC000843364791 1029942560 /nfs/dbraw/zinc/94/25/60/1029942560.db2.gz SOZFDCUSUNUBMW-UHFFFAOYSA-N 2 1 379.504 3.883 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(-c4ccsc4)cs3)C[C@@H]1C[NH2+]CCC2 ZINC001222135808 1029974160 /nfs/dbraw/zinc/97/41/60/1029974160.db2.gz IJDAUSSPIZSPFD-PXNSSMCTSA-N 2 1 390.574 3.841 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000843426678 1029997710 /nfs/dbraw/zinc/99/77/10/1029997710.db2.gz GHABISHLBKWLPX-QTEQDKRBSA-N 2 1 387.568 3.569 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426571 1029997733 /nfs/dbraw/zinc/99/77/33/1029997733.db2.gz AIHAHSCNVRTDKG-NRDMVMEKSA-N 2 1 387.568 3.709 20 0 GHADMP C[C@@H]1CCC[C@](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)([NH+](C)C)C1 ZINC001222204444 1030001781 /nfs/dbraw/zinc/00/17/81/1030001781.db2.gz HIOIUKIJJNNACE-JBPLPALLSA-N 2 1 380.621 3.554 20 0 GHADMP Brc1c2ccccc2sc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407127 1030110825 /nfs/dbraw/zinc/11/08/25/1030110825.db2.gz DMLLWHJYSQQJSA-UHFFFAOYSA-N 2 1 395.366 3.866 20 0 GHADMP Brc1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c2ccccc12 ZINC001222407136 1030111388 /nfs/dbraw/zinc/11/13/88/1030111388.db2.gz DUFZBXMOCLJLDG-UHFFFAOYSA-N 2 1 389.337 3.804 20 0 GHADMP Fc1cccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1OCc1ccccc1 ZINC001222407482 1030112516 /nfs/dbraw/zinc/11/25/16/1030112516.db2.gz JCVSFZMZXPOZGF-UHFFFAOYSA-N 2 1 384.495 3.607 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)cc2)cc1 ZINC001222497632 1030169972 /nfs/dbraw/zinc/16/99/72/1030169972.db2.gz TYSSOAYFFOVOFL-SFTDATJTSA-N 2 1 389.465 3.898 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2CCCc2cccnc2)cc1 ZINC001222575252 1030205067 /nfs/dbraw/zinc/20/50/67/1030205067.db2.gz LWODKKSUOVSNKL-HSZRJFAPSA-N 2 1 379.548 3.818 20 0 GHADMP COc1ccc(-c2ccncc2)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1 ZINC001222615440 1030238996 /nfs/dbraw/zinc/23/89/96/1030238996.db2.gz PZGAGQZLRVCLQI-XMMPIXPASA-N 2 1 385.511 3.946 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC001222665314 1030267182 /nfs/dbraw/zinc/26/71/82/1030267182.db2.gz BUQCPFXZAHZCNC-PTUXOGIPSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001222665314 1030267202 /nfs/dbraw/zinc/26/72/02/1030267202.db2.gz BUQCPFXZAHZCNC-PTUXOGIPSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001222665314 1030267211 /nfs/dbraw/zinc/26/72/11/1030267211.db2.gz BUQCPFXZAHZCNC-PTUXOGIPSA-N 2 1 398.595 3.735 20 0 GHADMP N[C@H](Cc1ccccc1Cl)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217710010 1030620401 /nfs/dbraw/zinc/62/04/01/1030620401.db2.gz BEHKSAWHIDKMSH-IEBWSBKVSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@H](Cc1ccccc1Cl)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217710010 1030620414 /nfs/dbraw/zinc/62/04/14/1030620414.db2.gz BEHKSAWHIDKMSH-IEBWSBKVSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@H](Cc1ccccc1Cl)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217710010 1030620431 /nfs/dbraw/zinc/62/04/31/1030620431.db2.gz BEHKSAWHIDKMSH-IEBWSBKVSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@@H](Cc1ccc(F)cc1F)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217733998 1030635974 /nfs/dbraw/zinc/63/59/74/1030635974.db2.gz RGYHDZQUKUEHRZ-LPHOPBHVSA-N 2 1 384.430 3.580 20 0 GHADMP [NH3+][C@@H](Cc1ccc(F)cc1F)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217733998 1030635977 /nfs/dbraw/zinc/63/59/77/1030635977.db2.gz RGYHDZQUKUEHRZ-LPHOPBHVSA-N 2 1 384.430 3.580 20 0 GHADMP [NH3+][C@H](Cc1ccnc2ccccc12)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217753337 1030642924 /nfs/dbraw/zinc/64/29/24/1030642924.db2.gz YUASPDREFYKBIH-PZJWPPBQSA-N 2 1 399.498 3.850 20 0 GHADMP [NH3+][C@H](Cc1ccnc2ccccc12)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217753337 1030642929 /nfs/dbraw/zinc/64/29/29/1030642929.db2.gz YUASPDREFYKBIH-PZJWPPBQSA-N 2 1 399.498 3.850 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001150960202 1030721280 /nfs/dbraw/zinc/72/12/80/1030721280.db2.gz BBAPLPXEWWROJU-TXTKFYIRSA-N 2 1 379.548 3.801 20 0 GHADMP C[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001150960204 1030722022 /nfs/dbraw/zinc/72/20/22/1030722022.db2.gz BBAPLPXEWWROJU-ZRCGQRJVSA-N 2 1 379.548 3.801 20 0 GHADMP CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360423 1030876013 /nfs/dbraw/zinc/87/60/13/1030876013.db2.gz YNJIMSHXDMCKEW-PZJWPPBQSA-N 2 1 382.552 3.958 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001151360423 1030876035 /nfs/dbraw/zinc/87/60/35/1030876035.db2.gz YNJIMSHXDMCKEW-PZJWPPBQSA-N 2 1 382.552 3.958 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001151360423 1030876047 /nfs/dbraw/zinc/87/60/47/1030876047.db2.gz YNJIMSHXDMCKEW-PZJWPPBQSA-N 2 1 382.552 3.958 20 0 GHADMP O=C(Nc1cc(-c2ccccc2)cc(Cl)n1)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001218742072 1031060612 /nfs/dbraw/zinc/06/06/12/1031060612.db2.gz CIVFLRSDHNWPEI-KRWDZBQOSA-N 2 1 398.938 3.805 20 0 GHADMP O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001218859487 1031121017 /nfs/dbraw/zinc/12/10/17/1031121017.db2.gz AXYNTDLNCMQQKH-KRWDZBQOSA-N 2 1 399.535 3.521 20 0 GHADMP c1ccc(C[NH+]2CCO[C@H](CO[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224956847 1031190654 /nfs/dbraw/zinc/19/06/54/1031190654.db2.gz SXKOCXWZHVYADD-ZEQRLZLVSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCO[C@H](CO[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224956847 1031190670 /nfs/dbraw/zinc/19/06/70/1031190670.db2.gz SXKOCXWZHVYADD-ZEQRLZLVSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224956847 1031190680 /nfs/dbraw/zinc/19/06/80/1031190680.db2.gz SXKOCXWZHVYADD-ZEQRLZLVSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224956847 1031190689 /nfs/dbraw/zinc/19/06/89/1031190689.db2.gz SXKOCXWZHVYADD-ZEQRLZLVSA-N 2 1 380.532 3.569 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)Cc3ccc(CC[NH3+])cc3)cccc2[C@H](c2ccccc2)C1 ZINC001219046801 1031227965 /nfs/dbraw/zinc/22/79/65/1031227965.db2.gz JDDKVIAYAUBSCA-QHCPKHFHSA-N 2 1 399.538 3.946 20 0 GHADMP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1Cl ZINC001219941316 1031707918 /nfs/dbraw/zinc/70/79/18/1031707918.db2.gz UZUVHYNYNQNBCA-TZIWHRDSSA-N 2 1 399.966 3.628 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC001219941374 1031708789 /nfs/dbraw/zinc/70/87/89/1031708789.db2.gz WLSHLGAIDCYGFT-OEMFJLHTSA-N 2 1 391.559 3.551 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001220062306 1031761222 /nfs/dbraw/zinc/76/12/22/1031761222.db2.gz UKVLIHFHPNNSOU-AUSIDOKSSA-N 2 1 379.548 3.604 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001220552647 1031986938 /nfs/dbraw/zinc/98/69/38/1031986938.db2.gz SRPIOJBHVXTLOJ-RTBURBONSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+]1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001220633369 1032032109 /nfs/dbraw/zinc/03/21/09/1032032109.db2.gz DFVDJSNBJFKAEJ-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001220633369 1032032124 /nfs/dbraw/zinc/03/21/24/1032032124.db2.gz DFVDJSNBJFKAEJ-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001220633369 1032032127 /nfs/dbraw/zinc/03/21/27/1032032127.db2.gz DFVDJSNBJFKAEJ-PXNSSMCTSA-N 2 1 394.991 3.754 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccc(Cl)cc1 ZINC001220633422 1032033118 /nfs/dbraw/zinc/03/31/18/1032033118.db2.gz FQXOGCDWJAEBMU-FQEVSTJZSA-N 2 1 394.991 3.897 20 0 GHADMP c1cc2c(cccc2C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)[nH]1 ZINC001205282450 1033341396 /nfs/dbraw/zinc/34/13/96/1033341396.db2.gz XIBAPCYDFMAZPJ-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC001205296881 1033344872 /nfs/dbraw/zinc/34/48/72/1033344872.db2.gz VVCYQVHALPQTNU-QHCPKHFHSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC001205296881 1033344890 /nfs/dbraw/zinc/34/48/90/1033344890.db2.gz VVCYQVHALPQTNU-QHCPKHFHSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC001205296880 1033345249 /nfs/dbraw/zinc/34/52/49/1033345249.db2.gz VVCYQVHALPQTNU-HSZRJFAPSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC001205296880 1033345269 /nfs/dbraw/zinc/34/52/69/1033345269.db2.gz VVCYQVHALPQTNU-HSZRJFAPSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001205305122 1033349607 /nfs/dbraw/zinc/34/96/07/1033349607.db2.gz RCXAGBCWWGPFPX-XLIONFOSSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(OCc2ccccc2)cc1OC ZINC001205305122 1033349621 /nfs/dbraw/zinc/34/96/21/1033349621.db2.gz RCXAGBCWWGPFPX-XLIONFOSSA-N 2 1 384.520 3.700 20 0 GHADMP C[C@@H](CCc1cncc2ccccc21)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001205389065 1033390406 /nfs/dbraw/zinc/39/04/06/1033390406.db2.gz RRDXETJHJNYACJ-CYFREDJKSA-N 2 1 389.543 3.912 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(c2ncccc2C[NH+]2CCCC2)CC1 ZINC001157082975 1033404493 /nfs/dbraw/zinc/40/44/93/1033404493.db2.gz HOQHUSYCEYZALF-UHFFFAOYSA-N 2 1 382.527 3.917 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccc5[nH]ccc5c4)CC[C@@H]3[N@@H+]2CC2CC2)c1 ZINC001205587822 1033481061 /nfs/dbraw/zinc/48/10/61/1033481061.db2.gz ICMLNSARCOILQJ-GPXNEJASSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccc5[nH]ccc5c4)CC[C@@H]3[N@H+]2CC2CC2)c1 ZINC001205587822 1033481065 /nfs/dbraw/zinc/48/10/65/1033481065.db2.gz ICMLNSARCOILQJ-GPXNEJASSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@H+](Cc4ccc5[nH]ccc5c4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001205587822 1033481071 /nfs/dbraw/zinc/48/10/71/1033481071.db2.gz ICMLNSARCOILQJ-GPXNEJASSA-N 2 1 389.547 3.739 20 0 GHADMP c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4ccc5[nH]ccc5c4)CC[C@@H]3[NH+]2CC2CC2)c1 ZINC001205587822 1033481079 /nfs/dbraw/zinc/48/10/79/1033481079.db2.gz ICMLNSARCOILQJ-GPXNEJASSA-N 2 1 389.547 3.739 20 0 GHADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC001205750990 1033558342 /nfs/dbraw/zinc/55/83/42/1033558342.db2.gz VMTSAOQBOBPHNE-APWUFGDNSA-N 2 1 393.575 3.941 20 0 GHADMP CCOC(=O)N1CCC(C)(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001205756618 1033560644 /nfs/dbraw/zinc/56/06/44/1033560644.db2.gz YBEVKHIBHHAENN-XMMPIXPASA-N 2 1 399.579 3.843 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001205756618 1033560647 /nfs/dbraw/zinc/56/06/47/1033560647.db2.gz YBEVKHIBHHAENN-XMMPIXPASA-N 2 1 399.579 3.843 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001205756618 1033560654 /nfs/dbraw/zinc/56/06/54/1033560654.db2.gz YBEVKHIBHHAENN-XMMPIXPASA-N 2 1 399.579 3.843 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206004894 1033680460 /nfs/dbraw/zinc/68/04/60/1033680460.db2.gz VRLYQAYEZSTPNJ-MOPGFXCFSA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206004894 1033680465 /nfs/dbraw/zinc/68/04/65/1033680465.db2.gz VRLYQAYEZSTPNJ-MOPGFXCFSA-N 2 1 386.561 3.635 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)s2)cc1OC ZINC001206011799 1033685579 /nfs/dbraw/zinc/68/55/79/1033685579.db2.gz GOTMWIWNKYMITF-HOCLYGCPSA-N 2 1 375.538 3.634 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157616644 1033693459 /nfs/dbraw/zinc/69/34/59/1033693459.db2.gz WJPLYRPRPKBXBH-JDBUVZGPSA-N 2 1 391.559 3.849 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(-c3cnn(CC[NH+](C)C)c3)c2c1C ZINC001206323585 1033795930 /nfs/dbraw/zinc/79/59/30/1033795930.db2.gz DFFHQYSUDRVSCO-UHFFFAOYSA-N 2 1 398.580 3.719 20 0 GHADMP O=C(N1CCCC[C@]2(CCCC[NH2+]C2)C1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001158031118 1033872079 /nfs/dbraw/zinc/87/20/79/1033872079.db2.gz GSNIPWODUXMLEN-JYNIAERNSA-N 2 1 395.591 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158028305 1033872255 /nfs/dbraw/zinc/87/22/55/1033872255.db2.gz OKYXQCWFVWOKDF-KIFXHHALSA-N 2 1 383.580 3.527 20 0 GHADMP O=C(N1CCCC[C@@]2(CCCC[NH2+]C2)C1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001158031119 1033872315 /nfs/dbraw/zinc/87/23/15/1033872315.db2.gz GSNIPWODUXMLEN-KWKWTDQQSA-N 2 1 395.591 3.814 20 0 GHADMP CCOc1cc(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)ccc1OCCCOC ZINC001206590457 1033918200 /nfs/dbraw/zinc/91/82/00/1033918200.db2.gz MGPQQZLOXJXDNO-FQEVSTJZSA-N 2 1 378.557 3.853 20 0 GHADMP COc1cc(Br)c2cc(C[N@@H+](C(C)C)[C@H]3CCC[NH2+]CC3)[nH]c2n1 ZINC001206598104 1033919023 /nfs/dbraw/zinc/91/90/23/1033919023.db2.gz HWXKHVGLLBZFEA-AWEZNQCLSA-N 2 1 395.345 3.687 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162052 1033945973 /nfs/dbraw/zinc/94/59/73/1033945973.db2.gz TZIGAGCZLRDOHR-SLYNCCJLSA-N 2 1 391.506 3.592 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162052 1033945979 /nfs/dbraw/zinc/94/59/79/1033945979.db2.gz TZIGAGCZLRDOHR-SLYNCCJLSA-N 2 1 391.506 3.592 20 0 GHADMP COC[C@H](C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(OC)c1 ZINC001206723109 1033958140 /nfs/dbraw/zinc/95/81/40/1033958140.db2.gz SVKCITHDNYXXOL-FQEVSTJZSA-N 2 1 398.547 3.565 20 0 GHADMP COC[C@H](C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cccc(OC)c1 ZINC001206723109 1033958148 /nfs/dbraw/zinc/95/81/48/1033958148.db2.gz SVKCITHDNYXXOL-FQEVSTJZSA-N 2 1 398.547 3.565 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cncc(F)c1)CC2 ZINC001207021310 1034058508 /nfs/dbraw/zinc/05/85/08/1034058508.db2.gz WLGXZZUVSJGNOW-SFHVURJKSA-N 2 1 375.513 3.538 20 0 GHADMP CC(C)[N@H+]1CCN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)C[C@@H]1C ZINC001158501186 1034112678 /nfs/dbraw/zinc/11/26/78/1034112678.db2.gz NOFOSLSZNWENAH-AWEZNQCLSA-N 2 1 384.902 3.576 20 0 GHADMP Clc1ccc([C@H]2C[C@H]2C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001207185409 1034154956 /nfs/dbraw/zinc/15/49/56/1034154956.db2.gz VTBBKTATAUDXKN-GHTZIAJQSA-N 2 1 384.955 3.794 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207288751 1034239190 /nfs/dbraw/zinc/23/91/90/1034239190.db2.gz CJWBGMVDCJGKFH-UHFFFAOYSA-N 2 1 394.563 3.577 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001230887087 1034272119 /nfs/dbraw/zinc/27/21/19/1034272119.db2.gz XGFNUBVBOVOELW-OAQYLSRUSA-N 2 1 394.563 3.540 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC1CCC(F)(F)CC1)CC2 ZINC001207345320 1034290601 /nfs/dbraw/zinc/29/06/01/1034290601.db2.gz DRFNDDIBROHDRK-FQEVSTJZSA-N 2 1 393.522 3.962 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC001207353803 1034298238 /nfs/dbraw/zinc/29/82/38/1034298238.db2.gz HUOBALWWUITINT-OALUTQOASA-N 2 1 376.541 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@]2(CCCC[N@@H+](CC3CC[NH2+]CC3)C2)C1 ZINC001207435788 1034369002 /nfs/dbraw/zinc/36/90/02/1034369002.db2.gz MSHFKVUYQOTAKP-QFIPXVFZSA-N 2 1 379.589 3.879 20 0 GHADMP COc1ccccc1CC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001207452252 1034374274 /nfs/dbraw/zinc/37/42/74/1034374274.db2.gz JRXVPUCSJGFVDV-HXUWFJFHSA-N 2 1 384.520 3.586 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001207474633 1034387037 /nfs/dbraw/zinc/38/70/37/1034387037.db2.gz SXJAUDCGMUWKKG-UHFFFAOYSA-N 2 1 383.536 3.973 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)cc1 ZINC001207474633 1034387049 /nfs/dbraw/zinc/38/70/49/1034387049.db2.gz SXJAUDCGMUWKKG-UHFFFAOYSA-N 2 1 383.536 3.973 20 0 GHADMP Cc1cccc(CC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001207539579 1034442613 /nfs/dbraw/zinc/44/26/13/1034442613.db2.gz ZKTLOLMYWSSMRC-UHFFFAOYSA-N 2 1 379.548 3.547 20 0 GHADMP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001207548444 1034445754 /nfs/dbraw/zinc/44/57/54/1034445754.db2.gz YRCXUMIOWSIOSE-CQSZACIVSA-N 2 1 389.569 3.742 20 0 GHADMP Cc1nc(N2C[C@@H](C)O[C@H](C)C2)cc(Nc2ccc(C3CC[NH2+]CC3)cc2)[nH+]1 ZINC001159227788 1034495289 /nfs/dbraw/zinc/49/52/89/1034495289.db2.gz MUSHHQSZUSDJCF-HZPDHXFCSA-N 2 1 381.524 3.609 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001159315425 1034541121 /nfs/dbraw/zinc/54/11/21/1034541121.db2.gz IZCAJWXYHWQGGZ-QFIPXVFZSA-N 2 1 383.580 3.671 20 0 GHADMP C[N@@H+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207781065 1034573479 /nfs/dbraw/zinc/57/34/79/1034573479.db2.gz QRZSTRQGSKMBAQ-MYGLTJDJSA-N 2 1 399.579 3.553 20 0 GHADMP C[NH+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207781065 1034573493 /nfs/dbraw/zinc/57/34/93/1034573493.db2.gz QRZSTRQGSKMBAQ-MYGLTJDJSA-N 2 1 399.579 3.553 20 0 GHADMP C[NH+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207781065 1034573508 /nfs/dbraw/zinc/57/35/08/1034573508.db2.gz QRZSTRQGSKMBAQ-MYGLTJDJSA-N 2 1 399.579 3.553 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207783881 1034574611 /nfs/dbraw/zinc/57/46/11/1034574611.db2.gz SVSSHUUKPJEJTE-JPAWQOSXSA-N 2 1 379.589 3.686 20 0 GHADMP Cc1ccc(CCCNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)cn1 ZINC001207812266 1034590179 /nfs/dbraw/zinc/59/01/79/1034590179.db2.gz BVSGHHXSNGMRTK-UHFFFAOYSA-N 2 1 375.520 3.735 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)CC1 ZINC001208107604 1034739411 /nfs/dbraw/zinc/73/94/11/1034739411.db2.gz QJKHIPLRBAIZJE-NRFANRHFSA-N 2 1 377.523 3.956 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)CC1(C)CC[NH+](C)CC1 ZINC001208110419 1034740248 /nfs/dbraw/zinc/74/02/48/1034740248.db2.gz CKKCSJDORBDXFJ-NSHGMRRFSA-N 2 1 384.605 3.812 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCc4cccc(F)c4)CC3)C2)c1 ZINC001208197552 1034791755 /nfs/dbraw/zinc/79/17/55/1034791755.db2.gz RSQNNLIJYOOTRE-UHFFFAOYSA-N 2 1 398.522 3.744 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCc4cccc(F)c4)CC3)C2)c1 ZINC001208197552 1034791768 /nfs/dbraw/zinc/79/17/68/1034791768.db2.gz RSQNNLIJYOOTRE-UHFFFAOYSA-N 2 1 398.522 3.744 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)nc1 ZINC001231640118 1034795953 /nfs/dbraw/zinc/79/59/53/1034795953.db2.gz HPUSDQOFLTVKEA-HXUWFJFHSA-N 2 1 385.577 3.961 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001461920063 1069884964 /nfs/dbraw/zinc/88/49/64/1069884964.db2.gz QGVKKIHGDCIFKA-UDEWTMQYSA-N 2 1 391.600 3.828 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001461920063 1069884988 /nfs/dbraw/zinc/88/49/88/1069884988.db2.gz QGVKKIHGDCIFKA-UDEWTMQYSA-N 2 1 391.600 3.828 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001461920063 1069885009 /nfs/dbraw/zinc/88/50/09/1069885009.db2.gz QGVKKIHGDCIFKA-UDEWTMQYSA-N 2 1 391.600 3.828 20 0 GHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(NCc3ccccc3N3CC[NH2+]CC3)c12 ZINC001160109511 1034864612 /nfs/dbraw/zinc/86/46/12/1034864612.db2.gz LCISEZSHYZHWNY-UHFFFAOYSA-N 2 1 398.514 3.501 20 0 GHADMP [NH3+]CCCCCCCC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001160294795 1034931964 /nfs/dbraw/zinc/93/19/64/1034931964.db2.gz GBASBFDARIMPKH-JOCHJYFZSA-N 2 1 375.532 3.692 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3sc4scc(C)c4c3C)CC[C@@H]2C1 ZINC001231829236 1034933145 /nfs/dbraw/zinc/93/31/45/1034933145.db2.gz NFUQTNWLQFCBDO-IAGOWNOFSA-N 2 1 394.606 3.749 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3sc4scc(C)c4c3C)CC[C@@H]2C1 ZINC001231829236 1034933147 /nfs/dbraw/zinc/93/31/47/1034933147.db2.gz NFUQTNWLQFCBDO-IAGOWNOFSA-N 2 1 394.606 3.749 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3sc4scc(C)c4c3C)CC[C@@H]2C1 ZINC001231829236 1034933148 /nfs/dbraw/zinc/93/31/48/1034933148.db2.gz NFUQTNWLQFCBDO-IAGOWNOFSA-N 2 1 394.606 3.749 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608140 1034951710 /nfs/dbraw/zinc/95/17/10/1034951710.db2.gz PYZLQIPHGJZGAS-QUCCMNQESA-N 2 1 379.589 3.830 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608140 1034951716 /nfs/dbraw/zinc/95/17/16/1034951716.db2.gz PYZLQIPHGJZGAS-QUCCMNQESA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608140 1034951719 /nfs/dbraw/zinc/95/17/19/1034951719.db2.gz PYZLQIPHGJZGAS-QUCCMNQESA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608140 1034951730 /nfs/dbraw/zinc/95/17/30/1034951730.db2.gz PYZLQIPHGJZGAS-QUCCMNQESA-N 2 1 379.589 3.830 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606821 1034951916 /nfs/dbraw/zinc/95/19/16/1034951916.db2.gz HEHURWZWJQJILT-PZJWPPBQSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606821 1034951921 /nfs/dbraw/zinc/95/19/21/1034951921.db2.gz HEHURWZWJQJILT-PZJWPPBQSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606821 1034951925 /nfs/dbraw/zinc/95/19/25/1034951925.db2.gz HEHURWZWJQJILT-PZJWPPBQSA-N 2 1 399.579 3.665 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](C2CCC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208603252 1034951990 /nfs/dbraw/zinc/95/19/90/1034951990.db2.gz XPHZVLRTGFXINZ-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)CC1CC[NH+](CC)CC1 ZINC001208601716 1034952191 /nfs/dbraw/zinc/95/21/91/1034952191.db2.gz RPRNCAKUJDTYAJ-DSKINZAPSA-N 2 1 384.605 3.812 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3cccc4c3OCCO4)CC2)c2ccccc2[nH+]1 ZINC001231882836 1034965721 /nfs/dbraw/zinc/96/57/21/1034965721.db2.gz XJNBKZAXGKCCSK-UHFFFAOYSA-N 2 1 375.472 3.637 20 0 GHADMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H](C)c1cccc3ccccc31)CC2 ZINC001208712719 1034989216 /nfs/dbraw/zinc/98/92/16/1034989216.db2.gz YUEWXADFOVAPQB-LJQANCHMSA-N 2 1 379.548 3.620 20 0 GHADMP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H](C)c1cccc3ccccc31)CC2 ZINC001208712719 1034989221 /nfs/dbraw/zinc/98/92/21/1034989221.db2.gz YUEWXADFOVAPQB-LJQANCHMSA-N 2 1 379.548 3.620 20 0 GHADMP [NH3+]C[C@]1(Nc2cnc(-c3ccccc3)c(-c3ccccc3)n2)C[NH+]2CCC1CC2 ZINC001160512871 1034992277 /nfs/dbraw/zinc/99/22/77/1034992277.db2.gz ZOLNXPQUYAXMOO-DEOSSOPVSA-N 2 1 385.515 3.646 20 0 GHADMP Cc1ccc(-c2nnc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)c3ccccc32)cc1C ZINC001160520301 1034993333 /nfs/dbraw/zinc/99/33/33/1034993333.db2.gz QYLFINXDNFIBEX-DEOSSOPVSA-N 2 1 387.531 3.749 20 0 GHADMP COc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001208751506 1034998463 /nfs/dbraw/zinc/99/84/63/1034998463.db2.gz FNCGLSAFHLHMCS-SZPZYZBQSA-N 2 1 380.532 3.619 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001208751506 1034998466 /nfs/dbraw/zinc/99/84/66/1034998466.db2.gz FNCGLSAFHLHMCS-SZPZYZBQSA-N 2 1 380.532 3.619 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001208751506 1034998470 /nfs/dbraw/zinc/99/84/70/1034998470.db2.gz FNCGLSAFHLHMCS-SZPZYZBQSA-N 2 1 380.532 3.619 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CCCc1ccc(F)cc1)CC2 ZINC001208764922 1035008018 /nfs/dbraw/zinc/00/80/18/1035008018.db2.gz GWNGXVLMLOTKMQ-HSZRJFAPSA-N 2 1 397.538 3.909 20 0 GHADMP C[C@H]1COCC[N@H+]1CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208814426 1035035625 /nfs/dbraw/zinc/03/56/25/1035035625.db2.gz FHWJGDAJJLQTKL-SFHVURJKSA-N 2 1 388.552 3.575 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCCc1ccccc1Br)CC2 ZINC001208847206 1035055095 /nfs/dbraw/zinc/05/50/95/1035055095.db2.gz UISVUUHVJQCHCN-UHFFFAOYSA-N 2 1 380.330 3.512 20 0 GHADMP COC(=O)N1CCC2(CC1)CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930352 1035094636 /nfs/dbraw/zinc/09/46/36/1035094636.db2.gz AEJORXYEOTVJHX-QFIPXVFZSA-N 2 1 399.579 3.843 20 0 GHADMP O=C(NC1CCC1)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208936426 1035103797 /nfs/dbraw/zinc/10/37/97/1035103797.db2.gz SJDKWXDWHXBHGK-FYYLOGMGSA-N 2 1 395.591 3.669 20 0 GHADMP C[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937330 1035104455 /nfs/dbraw/zinc/10/44/55/1035104455.db2.gz SCERFHOKBYXBOU-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937330 1035104460 /nfs/dbraw/zinc/10/44/60/1035104460.db2.gz SCERFHOKBYXBOU-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937330 1035104464 /nfs/dbraw/zinc/10/44/64/1035104464.db2.gz SCERFHOKBYXBOU-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937330 1035104470 /nfs/dbraw/zinc/10/44/70/1035104470.db2.gz SCERFHOKBYXBOU-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP Cc1ccnc(OC2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208942276 1035112178 /nfs/dbraw/zinc/11/21/78/1035112178.db2.gz HRKMGMQMWLICJI-OAQYLSRUSA-N 2 1 380.536 3.540 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208946473 1035117326 /nfs/dbraw/zinc/11/73/26/1035117326.db2.gz QGVBQLMWYNEDJH-DHIUTWEWSA-N 2 1 384.564 3.559 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948580 1035118540 /nfs/dbraw/zinc/11/85/40/1035118540.db2.gz SAGRZUFGCPEOAQ-CTNGQTDRSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948580 1035118546 /nfs/dbraw/zinc/11/85/46/1035118546.db2.gz SAGRZUFGCPEOAQ-CTNGQTDRSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948580 1035118550 /nfs/dbraw/zinc/11/85/50/1035118550.db2.gz SAGRZUFGCPEOAQ-CTNGQTDRSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948580 1035118552 /nfs/dbraw/zinc/11/85/52/1035118552.db2.gz SAGRZUFGCPEOAQ-CTNGQTDRSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948581 1035119134 /nfs/dbraw/zinc/11/91/34/1035119134.db2.gz SAGRZUFGCPEOAQ-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208948581 1035119139 /nfs/dbraw/zinc/11/91/39/1035119139.db2.gz SAGRZUFGCPEOAQ-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208948581 1035119143 /nfs/dbraw/zinc/11/91/43/1035119143.db2.gz SAGRZUFGCPEOAQ-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948581 1035119148 /nfs/dbraw/zinc/11/91/48/1035119148.db2.gz SAGRZUFGCPEOAQ-FPOVZHCZSA-N 2 1 387.568 3.840 20 0 GHADMP COc1cccc(C(=O)C2CC[NH+](Cc3cc(F)cc(C[NH+](C)C)c3)CC2)c1 ZINC001232143525 1035120994 /nfs/dbraw/zinc/12/09/94/1035120994.db2.gz AEVIGDWUEIWVTA-UHFFFAOYSA-N 2 1 384.495 3.991 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001232146131 1035124063 /nfs/dbraw/zinc/12/40/63/1035124063.db2.gz JAPMCKAHMSOWDE-RTBURBONSA-N 2 1 391.531 3.576 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208951583 1035124267 /nfs/dbraw/zinc/12/42/67/1035124267.db2.gz DDZWNTVISAZQFE-YUMYIRISSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208951583 1035124275 /nfs/dbraw/zinc/12/42/75/1035124275.db2.gz DDZWNTVISAZQFE-YUMYIRISSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208951583 1035124281 /nfs/dbraw/zinc/12/42/81/1035124281.db2.gz DDZWNTVISAZQFE-YUMYIRISSA-N 2 1 399.579 3.744 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c1 ZINC001232150806 1035129076 /nfs/dbraw/zinc/12/90/76/1035129076.db2.gz VHPLDZANMFVXSB-FGZHOGPDSA-N 2 1 381.495 3.657 20 0 GHADMP CN(C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062884 1035129546 /nfs/dbraw/zinc/12/95/46/1035129546.db2.gz KXUPOKXZFWPLAK-OALUTQOASA-N 2 1 398.378 3.934 20 0 GHADMP CN(C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062886 1035129581 /nfs/dbraw/zinc/12/95/81/1035129581.db2.gz KXUPOKXZFWPLAK-RBUKOAKNSA-N 2 1 398.378 3.934 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208965066 1035133240 /nfs/dbraw/zinc/13/32/40/1035133240.db2.gz WMFHTAOIBANXFG-UNMCSNQZSA-N 2 1 390.531 3.631 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208965066 1035133244 /nfs/dbraw/zinc/13/32/44/1035133244.db2.gz WMFHTAOIBANXFG-UNMCSNQZSA-N 2 1 390.531 3.631 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208965066 1035133251 /nfs/dbraw/zinc/13/32/51/1035133251.db2.gz WMFHTAOIBANXFG-UNMCSNQZSA-N 2 1 390.531 3.631 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208965066 1035133254 /nfs/dbraw/zinc/13/32/54/1035133254.db2.gz WMFHTAOIBANXFG-UNMCSNQZSA-N 2 1 390.531 3.631 20 0 GHADMP O=C(NC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCCC1 ZINC001208961082 1035133700 /nfs/dbraw/zinc/13/37/00/1035133700.db2.gz YSSSSDPQZAARIY-NRFANRHFSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC001161071983 1035134537 /nfs/dbraw/zinc/13/45/37/1035134537.db2.gz UKRGQWMCWFDMAX-INIZCTEOSA-N 2 1 379.430 3.986 20 0 GHADMP Cc1cc(N2CC[NH+](C[C@@H]3CCN3C(=O)OC(C)(C)C)CC2)c2ccccc2[nH+]1 ZINC001208996996 1035141447 /nfs/dbraw/zinc/14/14/47/1035141447.db2.gz NEVTYMBFYWZPCZ-SFHVURJKSA-N 2 1 396.535 3.675 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccnc3c(F)cccc13)C2 ZINC001232206853 1035162324 /nfs/dbraw/zinc/16/23/24/1035162324.db2.gz SXYQXPGJLAZDDG-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccnc3c(F)cccc13)C2 ZINC001232206853 1035162328 /nfs/dbraw/zinc/16/23/28/1035162328.db2.gz SXYQXPGJLAZDDG-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccnc3c(F)cccc13)C2 ZINC001232206853 1035162330 /nfs/dbraw/zinc/16/23/30/1035162330.db2.gz SXYQXPGJLAZDDG-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccnc3c(F)cccc13)C2 ZINC001232206853 1035162334 /nfs/dbraw/zinc/16/23/34/1035162334.db2.gz SXYQXPGJLAZDDG-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC001161161139 1035163199 /nfs/dbraw/zinc/16/31/99/1035163199.db2.gz OTCKMTFMWHXXKE-IBGZPJMESA-N 2 1 393.453 3.686 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001209154664 1035195322 /nfs/dbraw/zinc/19/53/22/1035195322.db2.gz QNQNDOHFHIUJQZ-BVSLBCMMSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209154664 1035195325 /nfs/dbraw/zinc/19/53/25/1035195325.db2.gz QNQNDOHFHIUJQZ-BVSLBCMMSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209154664 1035195328 /nfs/dbraw/zinc/19/53/28/1035195328.db2.gz QNQNDOHFHIUJQZ-BVSLBCMMSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209154664 1035195331 /nfs/dbraw/zinc/19/53/31/1035195331.db2.gz QNQNDOHFHIUJQZ-BVSLBCMMSA-N 2 1 387.568 3.736 20 0 GHADMP CC(=O)OC(C)(C)CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209154664 1035195334 /nfs/dbraw/zinc/19/53/34/1035195334.db2.gz QNQNDOHFHIUJQZ-BVSLBCMMSA-N 2 1 387.568 3.736 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](CC3COC(C)(C)OC3)C[C@@H]21 ZINC001209195109 1035205956 /nfs/dbraw/zinc/20/59/56/1035205956.db2.gz CALRRXAHSPWOFW-YZGWKJHDSA-N 2 1 378.582 3.680 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](Nc3ncnc4c3C[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161458651 1035235251 /nfs/dbraw/zinc/23/52/51/1035235251.db2.gz XXDFTBOFHBFOEI-VXKWHMMOSA-N 2 1 385.515 3.550 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3ncnc4c3C[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161458651 1035235258 /nfs/dbraw/zinc/23/52/58/1035235258.db2.gz XXDFTBOFHBFOEI-VXKWHMMOSA-N 2 1 385.515 3.550 20 0 GHADMP CCOC(=O)CCCCCC[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001209350599 1035248152 /nfs/dbraw/zinc/24/81/52/1035248152.db2.gz YFGKDLMHBVODPL-GOSISDBHSA-N 2 1 378.561 3.614 20 0 GHADMP CCOC(=O)CCCCCC[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001209350599 1035248156 /nfs/dbraw/zinc/24/81/56/1035248156.db2.gz YFGKDLMHBVODPL-GOSISDBHSA-N 2 1 378.561 3.614 20 0 GHADMP CCOC(=O)CCCCCC[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001209350599 1035248160 /nfs/dbraw/zinc/24/81/60/1035248160.db2.gz YFGKDLMHBVODPL-GOSISDBHSA-N 2 1 378.561 3.614 20 0 GHADMP CCOC(=O)CCCCCC[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001209350599 1035248164 /nfs/dbraw/zinc/24/81/64/1035248164.db2.gz YFGKDLMHBVODPL-GOSISDBHSA-N 2 1 378.561 3.614 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209372201 1035257816 /nfs/dbraw/zinc/25/78/16/1035257816.db2.gz VNMNRSXBMGZYFB-HDICACEKSA-N 2 1 393.597 3.807 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001209372201 1035257820 /nfs/dbraw/zinc/25/78/20/1035257820.db2.gz VNMNRSXBMGZYFB-HDICACEKSA-N 2 1 393.597 3.807 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001209372201 1035257826 /nfs/dbraw/zinc/25/78/26/1035257826.db2.gz VNMNRSXBMGZYFB-HDICACEKSA-N 2 1 393.597 3.807 20 0 GHADMP CC(C)(C)OC(=O)NCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001209372201 1035257831 /nfs/dbraw/zinc/25/78/31/1035257831.db2.gz VNMNRSXBMGZYFB-HDICACEKSA-N 2 1 393.597 3.807 20 0 GHADMP CC[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1)NC(=O)OC(C)(C)C ZINC001209458671 1035279340 /nfs/dbraw/zinc/27/93/40/1035279340.db2.gz MNJAGZBSTOVMMF-LJQANCHMSA-N 2 1 391.556 3.871 20 0 GHADMP CC[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1)NC(=O)OC(C)(C)C ZINC001209458670 1035279486 /nfs/dbraw/zinc/27/94/86/1035279486.db2.gz MNJAGZBSTOVMMF-IBGZPJMESA-N 2 1 391.556 3.871 20 0 GHADMP Cc1cccc2c(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)c[nH]c21 ZINC001209486664 1035289558 /nfs/dbraw/zinc/28/95/58/1035289558.db2.gz URRNYHHMGUCNON-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cccc2c(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)c[nH]c21 ZINC001209486664 1035289565 /nfs/dbraw/zinc/28/95/65/1035289565.db2.gz URRNYHHMGUCNON-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP Cc1cccc2c(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)c[nH]c21 ZINC001209486664 1035289569 /nfs/dbraw/zinc/28/95/69/1035289569.db2.gz URRNYHHMGUCNON-NFBKMPQASA-N 2 1 390.531 3.594 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3c[nH]c4ccc(C)cc34)CC2)C1 ZINC001209490648 1035290934 /nfs/dbraw/zinc/29/09/34/1035290934.db2.gz CPTMEHBZQKIZNF-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c[nH]c4ccc(C)cc34)CC2)C1 ZINC001209490648 1035290938 /nfs/dbraw/zinc/29/09/38/1035290938.db2.gz CPTMEHBZQKIZNF-GOSISDBHSA-N 2 1 383.536 3.716 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3cc[nH]c3c1)CC2 ZINC001209511266 1035298273 /nfs/dbraw/zinc/29/82/73/1035298273.db2.gz RNFOHPLEFSFJNG-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c4ccccc4nn3C)C[C@H]21 ZINC001209537894 1035308573 /nfs/dbraw/zinc/30/85/73/1035308573.db2.gz ZCJZOJZMIJEGGW-JMUQELJHSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209537894 1035308576 /nfs/dbraw/zinc/30/85/76/1035308576.db2.gz ZCJZOJZMIJEGGW-JMUQELJHSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209537894 1035308579 /nfs/dbraw/zinc/30/85/79/1035308579.db2.gz ZCJZOJZMIJEGGW-JMUQELJHSA-N 2 1 389.547 3.701 20 0 GHADMP Clc1cc(C2CC[NH2+]CC2)nc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC001161885063 1035321483 /nfs/dbraw/zinc/32/14/83/1035321483.db2.gz GRZSCPVQILMYLP-SFHVURJKSA-N 2 1 385.943 3.674 20 0 GHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001461988805 1069931070 /nfs/dbraw/zinc/93/10/70/1069931070.db2.gz LBQWDLKJRFHJAV-NVFTXBOLSA-N 2 1 384.564 3.999 20 0 GHADMP C[NH+](C)CCCNC(=O)c1ccc(-c2ccc([C@@H]3CCCC[N@H+]3C)cn2)cc1 ZINC001241781342 1035698065 /nfs/dbraw/zinc/69/80/65/1035698065.db2.gz BTIOVRDGRZXKBV-QFIPXVFZSA-N 2 1 380.536 3.587 20 0 GHADMP CC[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC001241877326 1035735429 /nfs/dbraw/zinc/73/54/29/1035735429.db2.gz LGGOUFUDKOHXFS-QHCPKHFHSA-N 2 1 392.547 3.683 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc1 ZINC001241877326 1035735431 /nfs/dbraw/zinc/73/54/31/1035735431.db2.gz LGGOUFUDKOHXFS-QHCPKHFHSA-N 2 1 392.547 3.683 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)c1ccc(Cl)cc1 ZINC001248628148 1036005755 /nfs/dbraw/zinc/00/57/55/1036005755.db2.gz CJMULAKOFIENBZ-FQEVSTJZSA-N 2 1 399.926 3.870 20 0 GHADMP COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001244286274 1036460091 /nfs/dbraw/zinc/46/00/91/1036460091.db2.gz VNYBXRVCFZEJQQ-GOSISDBHSA-N 2 1 380.536 3.541 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067916 1037181322 /nfs/dbraw/zinc/18/13/22/1037181322.db2.gz QJYSQMOHLVNYCD-BAMDZGJYSA-N 2 1 391.600 3.747 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123885 1037204979 /nfs/dbraw/zinc/20/49/79/1037204979.db2.gz VHKKWVJMLDSLKS-NZQKXSOJSA-N 3 1 395.566 3.848 20 0 GHADMP C[C@@H]1CC(N[C@@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)C[C@@H](C)[NH2+]1 ZINC001246136065 1037210105 /nfs/dbraw/zinc/21/01/05/1037210105.db2.gz ZOHASNOFDUJTBM-HBUWYVDXSA-N 2 1 392.385 3.634 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CC[NH2+]2)cc1 ZINC001246133049 1037210502 /nfs/dbraw/zinc/21/05/02/1037210502.db2.gz PHAUZZADJSPEBR-XPNTWCBSSA-N 3 1 391.559 3.585 20 0 GHADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246192005 1037229480 /nfs/dbraw/zinc/22/94/80/1037229480.db2.gz XTCVZSKFUDSQBU-HKTJVKLFSA-N 3 1 377.576 3.992 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H](NC[C@@H]4CC[NH2+]4)C[C@@H]23)cc1 ZINC001246199109 1037235763 /nfs/dbraw/zinc/23/57/63/1037235763.db2.gz IPOGWAJDFGSCTI-CXSMSNRLSA-N 2 1 375.560 3.703 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([NH2+]C[C@@]3(C)CC[NH2+]CC3(F)F)CC2)cc1 ZINC001246218803 1037243465 /nfs/dbraw/zinc/24/34/65/1037243465.db2.gz DWMHXHVFDSVQDI-OUNSHVDWSA-N 2 1 380.479 3.863 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](N[C@@H]3CC4(CC[NH2+]CC4)c4ccccc43)CC[NH2+]2)cc1 ZINC001246256270 1037256476 /nfs/dbraw/zinc/25/64/76/1037256476.db2.gz NVBPSOHMVCYYBP-YZUZCNPQSA-N 2 1 375.560 3.706 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCc2ccccc2)cc1 ZINC001246257124 1037257168 /nfs/dbraw/zinc/25/71/68/1037257168.db2.gz UEFKAGJXLCQMTK-ADYITMSISA-N 2 1 394.515 3.742 20 0 GHADMP COc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246274103 1037270847 /nfs/dbraw/zinc/27/08/47/1037270847.db2.gz RZGVQXWTMJIPCU-RBUKOAKNSA-N 2 1 389.337 3.911 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](NC[C@H]2Cc4ccccc4C[NH2+]2)C3)cc1 ZINC001246276654 1037273438 /nfs/dbraw/zinc/27/34/38/1037273438.db2.gz DTIMIIAORRTZQK-VPBXCIAMSA-N 2 1 375.560 3.876 20 0 GHADMP CCOC(=O)C1=C(N[C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246291428 1037280537 /nfs/dbraw/zinc/28/05/37/1037280537.db2.gz LPANNUMMJKSZPE-AERCQKQUSA-N 2 1 399.579 3.608 20 0 GHADMP C[C@@H](C[NH3+])CN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322142 1037294536 /nfs/dbraw/zinc/29/45/36/1037294536.db2.gz FRJQHYMKIAPGBQ-MNPDLOSFSA-N 2 1 377.576 3.936 20 0 GHADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322142 1037294556 /nfs/dbraw/zinc/29/45/56/1037294556.db2.gz FRJQHYMKIAPGBQ-MNPDLOSFSA-N 3 1 377.576 3.936 20 0 GHADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322142 1037294571 /nfs/dbraw/zinc/29/45/71/1037294571.db2.gz FRJQHYMKIAPGBQ-MNPDLOSFSA-N 3 1 377.576 3.936 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC001246361864 1037321753 /nfs/dbraw/zinc/32/17/53/1037321753.db2.gz PFWWLUITFTXMKY-LJQANCHMSA-N 2 1 394.401 3.781 20 0 GHADMP CC[C@H]1C[C@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246362982 1037322991 /nfs/dbraw/zinc/32/29/91/1037322991.db2.gz VNTVZFDGZZSFCR-VQTJNVASSA-N 2 1 394.401 3.781 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H](c3ccccc3)C2)cc1 ZINC001246368387 1037327594 /nfs/dbraw/zinc/32/75/94/1037327594.db2.gz BWIOLPMVFUYSJW-VOWYGXHKSA-N 2 1 375.560 3.917 20 0 GHADMP COc1ccc(CC2(N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246374594 1037330063 /nfs/dbraw/zinc/33/00/63/1037330063.db2.gz FQDQDFPHDSYIEX-NFBKMPQASA-N 2 1 393.575 3.613 20 0 GHADMP COc1ccccc1C1(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246375570 1037331944 /nfs/dbraw/zinc/33/19/44/1037331944.db2.gz IMIFEXLYZVRHPV-PZJWPPBQSA-N 2 1 379.548 3.527 20 0 GHADMP Fc1cccc(CC2(C[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246379253 1037337719 /nfs/dbraw/zinc/33/77/19/1037337719.db2.gz MBUKEEMVWAKGME-GOTSBHOMSA-N 3 1 381.539 3.821 20 0 GHADMP Fc1cccc([C@H](N[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246403577 1037360771 /nfs/dbraw/zinc/36/07/71/1037360771.db2.gz HJNNUJZLJKMGRR-KMDXXIMOSA-N 2 1 381.539 3.819 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3cccc(Cl)c3)CC[NH2+]CC1)C2 ZINC001246425975 1037382661 /nfs/dbraw/zinc/38/26/61/1037382661.db2.gz NGTKZFJXGQNPFF-MZADTFQBSA-N 2 1 375.988 3.857 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(Cc3cccc(Cl)c3)CC[NH2+]CC1)C2 ZINC001246425975 1037382680 /nfs/dbraw/zinc/38/26/80/1037382680.db2.gz NGTKZFJXGQNPFF-MZADTFQBSA-N 2 1 375.988 3.857 20 0 GHADMP Fc1ccccc1CC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246435104 1037395588 /nfs/dbraw/zinc/39/55/88/1037395588.db2.gz RXHKMTCJMONFIY-FYYLOGMGSA-N 3 1 381.539 3.821 20 0 GHADMP O=C([C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+]C2(CCCCC2)C1)N1CCCCC1 ZINC001246465327 1037418567 /nfs/dbraw/zinc/41/85/67/1037418567.db2.gz VRRAFEDPHJTFDT-YADHBBJMSA-N 2 1 383.580 3.655 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246476258 1037424587 /nfs/dbraw/zinc/42/45/87/1037424587.db2.gz YJDSPQVFPOUKGO-XWFZLUIHSA-N 2 1 384.495 3.777 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246476257 1037424844 /nfs/dbraw/zinc/42/48/44/1037424844.db2.gz YJDSPQVFPOUKGO-NBCNXNJRSA-N 2 1 384.495 3.777 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+]C2C[C@@H](C)[NH2+][C@H](C)C2)C(C)C)cc2ccccc21 ZINC001246482747 1037428149 /nfs/dbraw/zinc/42/81/49/1037428149.db2.gz OBNCMLCBTKXRCK-MCFFVMPBSA-N 2 1 383.536 3.930 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([NH2+]CC[C@@H]3CC[NH2+]CC3(F)F)CC2)cc1 ZINC001246488495 1037434062 /nfs/dbraw/zinc/43/40/62/1037434062.db2.gz NTYRUNHOOOENSO-AVAKVYKDSA-N 2 1 380.479 3.863 20 0 GHADMP CCCOC1CCC([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246494402 1037438806 /nfs/dbraw/zinc/43/88/06/1037438806.db2.gz LRRGWTPDXPZPIE-XVAXZDLZSA-N 2 1 376.541 3.555 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](c3ccc(F)cc3C)C2)C1 ZINC001246517675 1037451558 /nfs/dbraw/zinc/45/15/58/1037451558.db2.gz ARZTUURCLUGJNE-QFUCXCTJSA-N 2 1 375.532 3.508 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246517675 1037451568 /nfs/dbraw/zinc/45/15/68/1037451568.db2.gz ARZTUURCLUGJNE-QFUCXCTJSA-N 2 1 375.532 3.508 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)C1 ZINC001246517675 1037451573 /nfs/dbraw/zinc/45/15/73/1037451573.db2.gz ARZTUURCLUGJNE-QFUCXCTJSA-N 2 1 375.532 3.508 20 0 GHADMP COC(=O)c1ccc([C@@H]([NH3+])CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001246522695 1037454739 /nfs/dbraw/zinc/45/47/39/1037454739.db2.gz DWSHJDHXNCCHJN-WKZKVMAPSA-N 2 1 395.547 3.504 20 0 GHADMP COc1cc2c(cc1OC)[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246528758 1037464229 /nfs/dbraw/zinc/46/42/29/1037464229.db2.gz XVTBVSHIOCNIKV-MDKPJZGXSA-N 2 1 384.495 3.874 20 0 GHADMP C[NH2+]C1CN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246529261 1037464955 /nfs/dbraw/zinc/46/49/55/1037464955.db2.gz RSSWTTPPPZNCAB-UBFVSLLYSA-N 2 1 375.560 3.655 20 0 GHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246533430 1037467956 /nfs/dbraw/zinc/46/79/56/1037467956.db2.gz CRCRYUCBAGSEJC-RTBURBONSA-N 2 1 377.454 3.938 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(C)cc(C)c(COC)c1C ZINC001462192647 1070068939 /nfs/dbraw/zinc/06/89/39/1070068939.db2.gz PECXKQYGZALYPW-NRFANRHFSA-N 2 1 375.601 3.606 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@](F)(C[NH3+])CC2)CC1 ZINC001246556971 1037479651 /nfs/dbraw/zinc/47/96/51/1037479651.db2.gz IVPSJKGBBVWHIF-VEDCXYSMSA-N 2 1 396.934 3.846 20 0 GHADMP C[C@@H]1CC[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC[C@H]1C[NH3+] ZINC001246562024 1037480882 /nfs/dbraw/zinc/48/08/82/1037480882.db2.gz VMCMCGVQDUWWBU-PMAMDCHESA-N 2 1 383.580 3.624 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001246581269 1037490552 /nfs/dbraw/zinc/49/05/52/1037490552.db2.gz YMEBALWPVORKQP-ZPFZUWPUSA-N 2 1 383.580 3.768 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)CC[C@H]2C1 ZINC001246612386 1037501142 /nfs/dbraw/zinc/50/11/42/1037501142.db2.gz IYSQMONHGQWFRP-LCXINAFSSA-N 2 1 395.591 3.926 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246614178 1037507035 /nfs/dbraw/zinc/50/70/35/1037507035.db2.gz MPTVMEQQWKPYCF-LJQANCHMSA-N 2 1 382.474 3.677 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)CC1 ZINC001246614178 1037507062 /nfs/dbraw/zinc/50/70/62/1037507062.db2.gz MPTVMEQQWKPYCF-LJQANCHMSA-N 2 1 382.474 3.677 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001246624372 1037516621 /nfs/dbraw/zinc/51/66/21/1037516621.db2.gz DSABPUGYFHYJGW-BHIYHBOVSA-N 2 1 381.486 3.656 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3cccc(F)c3C1)CC2 ZINC001246632695 1037519214 /nfs/dbraw/zinc/51/92/14/1037519214.db2.gz ZCDNAUDVNWROGL-LJQANCHMSA-N 2 1 380.507 3.829 20 0 GHADMP FC1(F)CC[NH2+]C[C@@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246635915 1037521392 /nfs/dbraw/zinc/52/13/92/1037521392.db2.gz FABMRMSOSIWEBJ-LYBXBRPPSA-N 2 1 398.538 3.799 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246659416 1037532081 /nfs/dbraw/zinc/53/20/81/1037532081.db2.gz XGRQUYWGZWHWQM-NOLJZWGESA-N 2 1 391.275 3.854 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2CN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001246673916 1037540823 /nfs/dbraw/zinc/54/08/23/1037540823.db2.gz QMRLBMJXJBUXAG-UDLXLPFGSA-N 2 1 379.592 3.645 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)CC3)cc1 ZINC001246673916 1037540842 /nfs/dbraw/zinc/54/08/42/1037540842.db2.gz QMRLBMJXJBUXAG-UDLXLPFGSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)CC3)cc1 ZINC001246673916 1037540849 /nfs/dbraw/zinc/54/08/49/1037540849.db2.gz QMRLBMJXJBUXAG-UDLXLPFGSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001246673916 1037540858 /nfs/dbraw/zinc/54/08/58/1037540858.db2.gz QMRLBMJXJBUXAG-UDLXLPFGSA-N 3 1 379.592 3.645 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@@H]2C[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)CC3)cc1 ZINC001246673916 1037540868 /nfs/dbraw/zinc/54/08/68/1037540868.db2.gz QMRLBMJXJBUXAG-UDLXLPFGSA-N 3 1 379.592 3.645 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)CC[NH2+]1 ZINC001246697555 1037553411 /nfs/dbraw/zinc/55/34/11/1037553411.db2.gz VMIVXVGOHXEBCO-NQIIRXRSSA-N 2 1 382.527 3.850 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246710697 1037561855 /nfs/dbraw/zinc/56/18/55/1037561855.db2.gz SRNPHADTNVPKJT-DXIQSLLYSA-N 2 1 389.609 3.987 20 0 GHADMP CC[C@H]1[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246713845 1037563622 /nfs/dbraw/zinc/56/36/22/1037563622.db2.gz FKVCYNSKWQYJNO-QPPBQGQZSA-N 2 1 387.612 3.944 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246725254 1037575097 /nfs/dbraw/zinc/57/50/97/1037575097.db2.gz ZOAJQJPBCLPEOE-GIFXNVAJSA-N 2 1 397.607 3.854 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)C[C@H](CC)[NH2+]1 ZINC001246725468 1037575342 /nfs/dbraw/zinc/57/53/42/1037575342.db2.gz MCMLXPFZFPATNX-SALXWAHTSA-N 2 1 375.601 3.941 20 0 GHADMP Clc1cccc2c1CC[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCC4)c3C1)C2 ZINC001246730014 1037578614 /nfs/dbraw/zinc/57/86/14/1037578614.db2.gz GIJDFFUQODXPGR-SFHVURJKSA-N 2 1 384.955 3.942 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246756109 1037596442 /nfs/dbraw/zinc/59/64/42/1037596442.db2.gz VNSHGXQFEVVZMP-FQUBMZHMSA-N 2 1 387.593 3.879 20 0 GHADMP c1cncc(OC[C@@H]2CCC[C@@]23C[N@H+](C2CCC4(CCC[NH2+]C4)CC2)CCO3)c1 ZINC001246759968 1037601703 /nfs/dbraw/zinc/60/17/03/1037601703.db2.gz NOJDKOYUTUQFOS-QGQLOYOPSA-N 2 1 399.579 3.644 20 0 GHADMP CCCC[C@@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC[NH2+]1 ZINC001246761024 1037604366 /nfs/dbraw/zinc/60/43/66/1037604366.db2.gz YFRDEZQZQFLLMG-PKTZIBPZSA-N 2 1 385.596 3.664 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC001246783529 1037624295 /nfs/dbraw/zinc/62/42/95/1037624295.db2.gz ZYNDTSUEOAEGMP-XUZZJYLKSA-N 2 1 397.538 3.624 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[NH2+]1 ZINC001246783530 1037624387 /nfs/dbraw/zinc/62/43/87/1037624387.db2.gz ZYNDTSUEOAEGMP-ZJSXRUAMSA-N 2 1 397.538 3.624 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@@H]2Cc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246817875 1037649477 /nfs/dbraw/zinc/64/94/77/1037649477.db2.gz NSSLMTSRQZWRKD-JQOLTRQRSA-N 2 1 377.576 3.945 20 0 GHADMP CC[C@H]1CC([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C[C@H](CC)[NH2+]1 ZINC001246839593 1037668304 /nfs/dbraw/zinc/66/83/04/1037668304.db2.gz YICPCFRLSYOTFT-SEIRJHJZSA-N 2 1 385.552 3.781 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871161 1037685093 /nfs/dbraw/zinc/68/50/93/1037685093.db2.gz CLVHLEKQMLVGHP-SDHSZQHLSA-N 3 1 375.560 3.514 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871161 1037685106 /nfs/dbraw/zinc/68/51/06/1037685106.db2.gz CLVHLEKQMLVGHP-SDHSZQHLSA-N 3 1 375.560 3.514 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871161 1037685113 /nfs/dbraw/zinc/68/51/13/1037685113.db2.gz CLVHLEKQMLVGHP-SDHSZQHLSA-N 3 1 375.560 3.514 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871161 1037685123 /nfs/dbraw/zinc/68/51/23/1037685123.db2.gz CLVHLEKQMLVGHP-SDHSZQHLSA-N 2 1 375.560 3.514 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871161 1037685142 /nfs/dbraw/zinc/68/51/42/1037685142.db2.gz CLVHLEKQMLVGHP-SDHSZQHLSA-N 2 1 375.560 3.514 20 0 GHADMP O=C(OC1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC1)c1ccccc1 ZINC001246878359 1037690568 /nfs/dbraw/zinc/69/05/68/1037690568.db2.gz LERFTSMAKZEEOK-FKMNTQNHSA-N 2 1 390.527 3.628 20 0 GHADMP CN(C(=O)NCC1(CC2CC2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001246908815 1037718934 /nfs/dbraw/zinc/71/89/34/1037718934.db2.gz LJYBEBAUDLTOTD-LEWJYISDSA-N 2 1 390.616 3.545 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918090 1037724580 /nfs/dbraw/zinc/72/45/80/1037724580.db2.gz UWEOTSDHLQAJTD-JLAWEPINSA-N 2 1 397.357 3.631 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001246918090 1037724605 /nfs/dbraw/zinc/72/46/05/1037724605.db2.gz UWEOTSDHLQAJTD-JLAWEPINSA-N 2 1 397.357 3.631 20 0 GHADMP COc1cc(C[C@H](C)[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC001246926168 1037731328 /nfs/dbraw/zinc/73/13/28/1037731328.db2.gz SIRJYIFCEVTTLS-GHTZIAJQSA-N 2 1 398.547 3.898 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC001246926168 1037731356 /nfs/dbraw/zinc/73/13/56/1037731356.db2.gz SIRJYIFCEVTTLS-GHTZIAJQSA-N 2 1 398.547 3.898 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246934652 1037737427 /nfs/dbraw/zinc/73/74/27/1037737427.db2.gz JNLKYWKLVOGXGH-GQLBNEHISA-N 2 1 388.527 3.892 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1)CC2 ZINC001246934652 1037737448 /nfs/dbraw/zinc/73/74/48/1037737448.db2.gz JNLKYWKLVOGXGH-GQLBNEHISA-N 2 1 388.527 3.892 20 0 GHADMP Clc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCC([NH+]3CCOCC3)CC2)cc1 ZINC001246944345 1037747521 /nfs/dbraw/zinc/74/75/21/1037747521.db2.gz ACYOWVPQCNONNC-UHFFFAOYSA-N 3 1 391.987 3.537 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](N(Cc3ccncc3)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246944296 1037748134 /nfs/dbraw/zinc/74/81/34/1037748134.db2.gz CBKSQCKPLQVQGQ-DNQXCXABSA-N 2 1 378.564 3.690 20 0 GHADMP C[C@H]1C[C@H](N(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246948798 1037753667 /nfs/dbraw/zinc/75/36/67/1037753667.db2.gz MDLWMPSMTUTODQ-TUACAJSNSA-N 2 1 378.564 3.689 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1)CO2 ZINC001246952538 1037756569 /nfs/dbraw/zinc/75/65/69/1037756569.db2.gz VIISZXZQHQCDCY-FQEVSTJZSA-N 2 1 384.495 3.700 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1)CO2 ZINC001246952538 1037756583 /nfs/dbraw/zinc/75/65/83/1037756583.db2.gz VIISZXZQHQCDCY-FQEVSTJZSA-N 2 1 384.495 3.700 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@H]2CSc3ccccc3C2)c1 ZINC001246953526 1037759283 /nfs/dbraw/zinc/75/92/83/1037759283.db2.gz BVNCXHMTSXOXTN-OAQYLSRUSA-N 2 1 396.556 3.744 20 0 GHADMP Fc1ccc(C[N@H+](C2Cc3cc(F)c(F)cc3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246953853 1037762116 /nfs/dbraw/zinc/76/21/16/1037762116.db2.gz DYSNYODJOUZTGM-UHFFFAOYSA-N 2 1 378.413 3.964 20 0 GHADMP Fc1ccc(C[N@@H+](C2Cc3cc(F)c(F)cc3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246953853 1037762128 /nfs/dbraw/zinc/76/21/28/1037762128.db2.gz DYSNYODJOUZTGM-UHFFFAOYSA-N 2 1 378.413 3.964 20 0 GHADMP Cc1ccc(F)cc1CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246956213 1037764030 /nfs/dbraw/zinc/76/40/30/1037764030.db2.gz QYXPNRUWFDOHNO-DEOSSOPVSA-N 2 1 381.539 3.963 20 0 GHADMP Fc1ccc(CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1F ZINC001246958583 1037774824 /nfs/dbraw/zinc/77/48/24/1037774824.db2.gz TWXWIWIRMWFSSQ-NRFANRHFSA-N 2 1 385.502 3.793 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246959359 1037776755 /nfs/dbraw/zinc/77/67/55/1037776755.db2.gz ROZAGMDQCQFBCY-ZWKOTPCHSA-N 2 1 376.541 3.621 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccc(C)cc2)C2CC[NH2+]CC2)c1 ZINC001246959890 1037778512 /nfs/dbraw/zinc/77/85/12/1037778512.db2.gz UFDAMSWUBDNEEH-LJQANCHMSA-N 2 1 380.532 3.967 20 0 GHADMP COc1ccc(C[N@@H+]([C@@H]2Cc3ccc(OC)cc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246962146 1037784006 /nfs/dbraw/zinc/78/40/06/1037784006.db2.gz ADNQITJPQIGEAR-YPAWHYETSA-N 2 1 380.532 3.943 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246961214 1037784046 /nfs/dbraw/zinc/78/40/46/1037784046.db2.gz JIMUZTUASIDTEW-YLJYHZDGSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246961214 1037784067 /nfs/dbraw/zinc/78/40/67/1037784067.db2.gz JIMUZTUASIDTEW-YLJYHZDGSA-N 2 1 376.516 3.810 20 0 GHADMP FC(F)(F)c1cc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)ncn1 ZINC001246971842 1037796692 /nfs/dbraw/zinc/79/66/92/1037796692.db2.gz YHNRPKDSSCEPGB-HZPDHXFCSA-N 2 1 398.473 3.794 20 0 GHADMP FC(F)(F)c1cc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)ncn1 ZINC001246971842 1037796713 /nfs/dbraw/zinc/79/67/13/1037796713.db2.gz YHNRPKDSSCEPGB-HZPDHXFCSA-N 2 1 398.473 3.794 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)CCN2)cc1 ZINC001246982301 1037806736 /nfs/dbraw/zinc/80/67/36/1037806736.db2.gz BTRLTFOLQWSYDC-DNQXCXABSA-N 2 1 399.542 3.759 20 0 GHADMP CCOC(=O)[C@@H]1C[N@H+]([C@H](C)CC(C)(C)SCc2ccco2)CCC12C[NH2+]C2 ZINC001247010887 1037834270 /nfs/dbraw/zinc/83/42/70/1037834270.db2.gz WLAYOTGGYBYKOZ-AEFFLSMTSA-N 2 1 394.581 3.545 20 0 GHADMP Clc1csc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001232281307 1038014652 /nfs/dbraw/zinc/01/46/52/1038014652.db2.gz GOIJAIVQGQCNDX-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP COCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001232300407 1038043423 /nfs/dbraw/zinc/04/34/23/1038043423.db2.gz DQHKPDWLYXLJRY-RPBOFIJWSA-N 2 1 398.591 3.794 20 0 GHADMP COCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001232300407 1038043442 /nfs/dbraw/zinc/04/34/42/1038043442.db2.gz DQHKPDWLYXLJRY-RPBOFIJWSA-N 2 1 398.591 3.794 20 0 GHADMP COCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001232300407 1038043463 /nfs/dbraw/zinc/04/34/63/1038043463.db2.gz DQHKPDWLYXLJRY-RPBOFIJWSA-N 2 1 398.591 3.794 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cn1 ZINC001232326842 1038101706 /nfs/dbraw/zinc/10/17/06/1038101706.db2.gz NJKKPAAAOOATEX-UHFFFAOYSA-N 2 1 389.590 3.732 20 0 GHADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462237733 1070109755 /nfs/dbraw/zinc/10/97/55/1070109755.db2.gz ZHMVCOCZXDRMMW-VMXMFDLUSA-N 2 1 387.568 3.932 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccn1)CC2 ZINC001232493218 1038269026 /nfs/dbraw/zinc/26/90/26/1038269026.db2.gz CTUZSNDRDNSLGB-GOSISDBHSA-N 2 1 375.513 3.538 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccn1)CC2 ZINC001232493218 1038269032 /nfs/dbraw/zinc/26/90/32/1038269032.db2.gz CTUZSNDRDNSLGB-GOSISDBHSA-N 2 1 375.513 3.538 20 0 GHADMP Fc1ccnc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001232499010 1038272599 /nfs/dbraw/zinc/27/25/99/1038272599.db2.gz NGROWMIBIXOMOV-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP [NH3+]C12CCC(c3nc(-c4ccc([C@H]5CCc6c[nH+]cn65)c(F)c4)no3)(CC1)CC2 ZINC001247639391 1038286417 /nfs/dbraw/zinc/28/64/17/1038286417.db2.gz GKEIUKRLRHAMMM-OSFYOIPJSA-N 2 1 393.466 3.911 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2ccc(Br)c(C(F)(F)F)c2)no1 ZINC001247698280 1038336479 /nfs/dbraw/zinc/33/64/79/1038336479.db2.gz MDCLCZQWPDSIME-LLVKDONJSA-N 2 1 393.207 3.647 20 0 GHADMP Fc1cc(Cl)c(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1F ZINC001247907515 1038480809 /nfs/dbraw/zinc/48/08/09/1038480809.db2.gz TZYACTMCZMECPV-NSHDSACASA-N 2 1 382.842 3.600 20 0 GHADMP FC(F)(F)Oc1cccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247907004 1038480850 /nfs/dbraw/zinc/48/08/50/1038480850.db2.gz QCGWAPLVZANBDA-CQSZACIVSA-N 2 1 396.413 3.567 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705760 1038506240 /nfs/dbraw/zinc/50/62/40/1038506240.db2.gz AUQHXFSQHAEDNN-NHCUHLMSSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705760 1038506247 /nfs/dbraw/zinc/50/62/47/1038506247.db2.gz AUQHXFSQHAEDNN-NHCUHLMSSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705760 1038506253 /nfs/dbraw/zinc/50/62/53/1038506253.db2.gz AUQHXFSQHAEDNN-NHCUHLMSSA-N 2 1 396.506 3.956 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3ccc(OC(F)F)nc3)CC2)c2ccccc2[nH+]1 ZINC001232952580 1038730471 /nfs/dbraw/zinc/73/04/71/1038730471.db2.gz CUSCCQIZLJJBDJ-UHFFFAOYSA-N 2 1 384.430 3.862 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1F)CC2 ZINC001233051970 1038806686 /nfs/dbraw/zinc/80/66/86/1038806686.db2.gz ZSENJNAXXRRULY-KRWDZBQOSA-N 2 1 390.524 3.848 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1F)CC2 ZINC001233051970 1038806710 /nfs/dbraw/zinc/80/67/10/1038806710.db2.gz ZSENJNAXXRRULY-KRWDZBQOSA-N 2 1 390.524 3.848 20 0 GHADMP Cc1nnc([C@@H]2CC[N@@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317857 1070165511 /nfs/dbraw/zinc/16/55/11/1070165511.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1nnc([C@@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317857 1070165518 /nfs/dbraw/zinc/16/55/18/1070165518.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1nnc([C@@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)[nH]1 ZINC001462317857 1070165526 /nfs/dbraw/zinc/16/55/26/1070165526.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@@H]2CC[N@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001462317857 1070165530 /nfs/dbraw/zinc/16/55/30/1070165530.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@@H]2CC[N@@H+](C[C@@]3(C(C)(C)C)CC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001462317857 1070165537 /nfs/dbraw/zinc/16/55/37/1070165537.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001462317857 1070165548 /nfs/dbraw/zinc/16/55/48/1070165548.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 1 381.568 3.841 20 0 GHADMP Cc1n[nH]c([C@@H]2CC[NH+](C[C@@]3(C(C)(C)C)CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001462317857 1070165550 /nfs/dbraw/zinc/16/55/50/1070165550.db2.gz YKQYOWNREAAWOH-OFNKIYASSA-N 2 1 381.568 3.841 20 0 GHADMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H](O)COCc3ccccc3)C[C@@H]21 ZINC001252281790 1038922693 /nfs/dbraw/zinc/92/26/93/1038922693.db2.gz MEVNBXOENIHYGV-OCFYOKIWSA-N 2 1 394.559 3.675 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](C[C@@H](O)COCc3ccccc3)C[C@@H]21 ZINC001252281790 1038922699 /nfs/dbraw/zinc/92/26/99/1038922699.db2.gz MEVNBXOENIHYGV-OCFYOKIWSA-N 2 1 394.559 3.675 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccccc3)C[C@@H]21 ZINC001252281790 1038922702 /nfs/dbraw/zinc/92/27/02/1038922702.db2.gz MEVNBXOENIHYGV-OCFYOKIWSA-N 2 1 394.559 3.675 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](C[C@@H](O)COCc3ccccc3)C[C@@H]21 ZINC001252281790 1038922706 /nfs/dbraw/zinc/92/27/06/1038922706.db2.gz MEVNBXOENIHYGV-OCFYOKIWSA-N 2 1 394.559 3.675 20 0 GHADMP C[NH+]1CCN(C2CC[NH+](Cc3cccc(Oc4ccc(F)cc4)c3)CC2)CC1 ZINC001233210223 1038972348 /nfs/dbraw/zinc/97/23/48/1038972348.db2.gz WQTWPDVPDWFWDD-UHFFFAOYSA-N 2 1 383.511 3.830 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC001252411393 1038989363 /nfs/dbraw/zinc/98/93/63/1038989363.db2.gz VBSDWGZYJWBZJO-ZLNRFVROSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC001252411393 1038989368 /nfs/dbraw/zinc/98/93/68/1038989368.db2.gz VBSDWGZYJWBZJO-ZLNRFVROSA-N 2 1 398.595 3.555 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275949 1039045926 /nfs/dbraw/zinc/04/59/26/1039045926.db2.gz UQDLQLCFFQYBIT-QFIPXVFZSA-N 2 1 392.543 3.877 20 0 GHADMP C[N@@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233294427 1039082994 /nfs/dbraw/zinc/08/29/94/1039082994.db2.gz JZRXQDYYAGWLPI-GOSISDBHSA-N 2 1 377.488 3.600 20 0 GHADMP C[N@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001233294427 1039083005 /nfs/dbraw/zinc/08/30/05/1039083005.db2.gz JZRXQDYYAGWLPI-GOSISDBHSA-N 2 1 377.488 3.600 20 0 GHADMP C[NH+](Cc1ccc(O)c2[nH]c(=O)ccc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001233294427 1039083021 /nfs/dbraw/zinc/08/30/21/1039083021.db2.gz JZRXQDYYAGWLPI-GOSISDBHSA-N 2 1 377.488 3.600 20 0 GHADMP C[NH+](Cc1ccc(O)c2[nH]c(=O)ccc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001233294427 1039083041 /nfs/dbraw/zinc/08/30/41/1039083041.db2.gz JZRXQDYYAGWLPI-GOSISDBHSA-N 2 1 377.488 3.600 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252754892 1039136424 /nfs/dbraw/zinc/13/64/24/1039136424.db2.gz PXNICFWRAHUIEU-NRFANRHFSA-N 2 1 376.585 3.776 20 0 GHADMP C[N@H+](Cc1ccc(Cl)c(I)c1)CC1CC[NH+](C)CC1 ZINC001233354692 1039171252 /nfs/dbraw/zinc/17/12/52/1039171252.db2.gz RIJXQDDHLCBFLS-UHFFFAOYSA-N 2 1 392.712 3.718 20 0 GHADMP COc1ccccc1CC1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252925685 1039263941 /nfs/dbraw/zinc/26/39/41/1039263941.db2.gz MEGPXHYLSUDWNQ-RUZDIDTESA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccccc1CC1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252925685 1039263955 /nfs/dbraw/zinc/26/39/55/1039263955.db2.gz MEGPXHYLSUDWNQ-RUZDIDTESA-N 2 1 394.559 3.587 20 0 GHADMP O[C@@]1(C[NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947699 1039292215 /nfs/dbraw/zinc/29/22/15/1039292215.db2.gz CXYLLFJGPZRTFM-BJKOFHAPSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@@]1(C[NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947699 1039292222 /nfs/dbraw/zinc/29/22/22/1039292222.db2.gz CXYLLFJGPZRTFM-BJKOFHAPSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949032 1039293310 /nfs/dbraw/zinc/29/33/10/1039293310.db2.gz FJXALICRDHOLFE-KKGFQHLNSA-N 2 1 376.544 3.795 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949032 1039293323 /nfs/dbraw/zinc/29/33/23/1039293323.db2.gz FJXALICRDHOLFE-KKGFQHLNSA-N 2 1 376.544 3.795 20 0 GHADMP COc1ccc2cccc(CC[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)c2c1 ZINC001252949941 1039293643 /nfs/dbraw/zinc/29/36/43/1039293643.db2.gz ZEFVIWGCJBHWRX-RUZDIDTESA-N 2 1 390.527 3.618 20 0 GHADMP COc1ccc2cccc(CC[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)c2c1 ZINC001252949941 1039293653 /nfs/dbraw/zinc/29/36/53/1039293653.db2.gz ZEFVIWGCJBHWRX-RUZDIDTESA-N 2 1 390.527 3.618 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@](C)(O)c1ccccc1)CC2 ZINC001253099557 1039423148 /nfs/dbraw/zinc/42/31/48/1039423148.db2.gz JXDYTJVEDNIBOF-HSZRJFAPSA-N 2 1 379.548 3.666 20 0 GHADMP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCc3cc(-c4cccnc4)ccc32)CC1 ZINC001253186691 1039466582 /nfs/dbraw/zinc/46/65/82/1039466582.db2.gz RCHJKKZUQNCZFW-QHCPKHFHSA-N 2 1 393.575 3.731 20 0 GHADMP OC1(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038637 1039968730 /nfs/dbraw/zinc/96/87/30/1039968730.db2.gz LNAKKEFVJWPMFY-QFIPXVFZSA-N 2 1 397.588 3.665 20 0 GHADMP Cc1[nH+]ccn1Cc1ccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001254042396 1039971418 /nfs/dbraw/zinc/97/14/18/1039971418.db2.gz QNNYUGGQNGJVFF-UHFFFAOYSA-N 2 1 390.531 3.679 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001254118198 1039995878 /nfs/dbraw/zinc/99/58/78/1039995878.db2.gz LDZXWTZWEGQKNN-QFIPXVFZSA-N 2 1 386.584 3.603 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](Cc3cc(OCc4ccccc4)c(OC)cc3C)C[C@@H]2C1 ZINC001234518873 1040097370 /nfs/dbraw/zinc/09/73/70/1040097370.db2.gz PMJVYWQMPWXASN-VXKWHMMOSA-N 2 1 380.532 3.966 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001254279676 1040127106 /nfs/dbraw/zinc/12/71/06/1040127106.db2.gz GDGITLWRUVMQIY-GOSISDBHSA-N 2 1 386.337 3.859 20 0 GHADMP Cc1cccc(N([C@H]2Cc3ccc(Br)cc3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001254286483 1040134996 /nfs/dbraw/zinc/13/49/96/1040134996.db2.gz NLDJAYPNWVSFTA-IBGZPJMESA-N 2 1 386.337 3.878 20 0 GHADMP CN1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC001462440827 1070255060 /nfs/dbraw/zinc/25/50/60/1070255060.db2.gz RNEUUXTWRGIOOE-NSISKUIASA-N 2 1 394.401 3.906 20 0 GHADMP COc1ccc([C@H]([NH3+])[C@@H](N[C@H]2CCC[N@@H+](C)CC2)c2ccc(OC)cc2)cc1 ZINC001254507244 1040286512 /nfs/dbraw/zinc/28/65/12/1040286512.db2.gz KTMBZGOMBDXJAX-VJBMBRPKSA-N 2 1 383.536 3.519 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001254522458 1040297048 /nfs/dbraw/zinc/29/70/48/1040297048.db2.gz GGGZNLSJIDEGCT-FQEVSTJZSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254531419 1040301779 /nfs/dbraw/zinc/30/17/79/1040301779.db2.gz FVGWHBKYHSALGQ-APWZRJJASA-N 2 1 380.374 3.612 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254531419 1040301784 /nfs/dbraw/zinc/30/17/84/1040301784.db2.gz FVGWHBKYHSALGQ-APWZRJJASA-N 2 1 380.374 3.612 20 0 GHADMP Brc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)o2)cc1 ZINC001235035164 1040528191 /nfs/dbraw/zinc/52/81/91/1040528191.db2.gz BZESUKDHDNRMJQ-DNVCBOLYSA-N 2 1 391.309 3.519 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254782379 1040542145 /nfs/dbraw/zinc/54/21/45/1040542145.db2.gz WCVDFCFYKUZYNI-LJQANCHMSA-N 2 1 379.589 3.828 20 0 GHADMP c1ccc(COc2cc(C[N@@H+]3CCCC34CC[NH2+]CC4)cc3c2OCO3)cc1 ZINC001235145509 1040639836 /nfs/dbraw/zinc/63/98/36/1040639836.db2.gz VCUPQMRJLOCTLA-UHFFFAOYSA-N 2 1 380.488 3.712 20 0 GHADMP c1ccc(COc2cc(C[N@H+]3CCCC34CC[NH2+]CC4)cc3c2OCO3)cc1 ZINC001235145509 1040639867 /nfs/dbraw/zinc/63/98/67/1040639867.db2.gz VCUPQMRJLOCTLA-UHFFFAOYSA-N 2 1 380.488 3.712 20 0 GHADMP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](CC[C@H]4C[NH2+]CCO4)C3)CCC2)cc1 ZINC001235177568 1040668433 /nfs/dbraw/zinc/66/84/33/1040668433.db2.gz QPKHDBRREXUDEV-DEOSSOPVSA-N 3 1 399.623 3.913 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001235184127 1040675314 /nfs/dbraw/zinc/67/53/14/1040675314.db2.gz GYCFGTYWLJWZKF-CVEARBPZSA-N 2 1 377.410 3.689 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC001235184127 1040675322 /nfs/dbraw/zinc/67/53/22/1040675322.db2.gz GYCFGTYWLJWZKF-CVEARBPZSA-N 2 1 377.410 3.689 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254972628 1040700313 /nfs/dbraw/zinc/70/03/13/1040700313.db2.gz VHPHWYUQQSQNBU-HZEGPAAWSA-N 2 1 387.568 3.871 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001235221206 1040702796 /nfs/dbraw/zinc/70/27/96/1040702796.db2.gz IILAZCANAJHNSA-JTHBVZDNSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001235221206 1040702811 /nfs/dbraw/zinc/70/28/11/1040702811.db2.gz IILAZCANAJHNSA-JTHBVZDNSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001235221206 1040702829 /nfs/dbraw/zinc/70/28/29/1040702829.db2.gz IILAZCANAJHNSA-JTHBVZDNSA-N 2 1 398.595 3.603 20 0 GHADMP Brc1ccc2n[nH]c(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235226784 1040708517 /nfs/dbraw/zinc/70/85/17/1040708517.db2.gz FJOHYGSOSCGZBW-INIZCTEOSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2n[nH]c(C[NH+]3CCC([C@@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235226784 1040708529 /nfs/dbraw/zinc/70/85/29/1040708529.db2.gz FJOHYGSOSCGZBW-INIZCTEOSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2[nH]c(C[NH+]3CCC([C@H]4CCCC[NH2+]4)CC3)nc2c1 ZINC001235238947 1040719111 /nfs/dbraw/zinc/71/91/11/1040719111.db2.gz GTCUTFVKLCCFPX-OAHLLOKOSA-N 2 1 377.330 3.680 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(C)(C)C)s1 ZINC001255029796 1040741475 /nfs/dbraw/zinc/74/14/75/1040741475.db2.gz IAHQFEOUUASSJF-KRWDZBQOSA-N 2 1 394.629 3.603 20 0 GHADMP OCC1C[NH+]([C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255078270 1040769132 /nfs/dbraw/zinc/76/91/32/1040769132.db2.gz XDQSONSABJRAFC-ISJGIBHGSA-N 2 1 376.544 3.676 20 0 GHADMP OCC1C[NH+]([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255078270 1040769148 /nfs/dbraw/zinc/76/91/48/1040769148.db2.gz XDQSONSABJRAFC-ISJGIBHGSA-N 2 1 376.544 3.676 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255100404 1040781794 /nfs/dbraw/zinc/78/17/94/1040781794.db2.gz YMKRLFYVHGLYQK-IFMALSPDSA-N 2 1 391.515 3.521 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255100404 1040781798 /nfs/dbraw/zinc/78/17/98/1040781798.db2.gz YMKRLFYVHGLYQK-IFMALSPDSA-N 2 1 391.515 3.521 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1 ZINC001255127843 1040819521 /nfs/dbraw/zinc/81/95/21/1040819521.db2.gz FCKLMCLTWGWKFO-KOUNCHBCSA-N 2 1 378.520 3.593 20 0 GHADMP COC(=O)c1cccc(C(=[NH2+])N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255128493 1040822540 /nfs/dbraw/zinc/82/25/40/1040822540.db2.gz CBVHHBHEBUDIJH-WKCHPHFGSA-N 2 1 377.488 3.584 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC2CC[NH+](CC4CCOCC4)CC2)C3)cc1 ZINC001255132851 1040828070 /nfs/dbraw/zinc/82/80/70/1040828070.db2.gz WXKQKQDKTAYMCG-MPIKPJSNSA-N 2 1 397.607 3.663 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@@H+](Cc2ccc(N4CCCCC4)nc2)C3)cc1 ZINC001235351878 1040831077 /nfs/dbraw/zinc/83/10/77/1040831077.db2.gz XKMALFHXOZXAET-ISKFKSNPSA-N 2 1 376.548 3.651 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](Cc2ccc(N4CCCCC4)nc2)C3)cc1 ZINC001235351878 1040831100 /nfs/dbraw/zinc/83/11/00/1040831100.db2.gz XKMALFHXOZXAET-ISKFKSNPSA-N 2 1 376.548 3.651 20 0 GHADMP CN(CC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(=O)OC(C)(C)C ZINC001255135325 1040836504 /nfs/dbraw/zinc/83/65/04/1040836504.db2.gz ABDNFJZVFMZGRB-WKCHPHFGSA-N 2 1 387.568 3.981 20 0 GHADMP CN(CC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(=O)OC(C)(C)C ZINC001255135325 1040836518 /nfs/dbraw/zinc/83/65/18/1040836518.db2.gz ABDNFJZVFMZGRB-WKCHPHFGSA-N 2 1 387.568 3.981 20 0 GHADMP CN(CC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)OC(C)(C)C ZINC001255135325 1040836535 /nfs/dbraw/zinc/83/65/35/1040836535.db2.gz ABDNFJZVFMZGRB-WKCHPHFGSA-N 2 1 387.568 3.981 20 0 GHADMP CN(CC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)OC(C)(C)C ZINC001255135325 1040836546 /nfs/dbraw/zinc/83/65/46/1040836546.db2.gz ABDNFJZVFMZGRB-WKCHPHFGSA-N 2 1 387.568 3.981 20 0 GHADMP CC(C)(C)OC(=O)NC12CC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)(C1)C2 ZINC001255135009 1040837661 /nfs/dbraw/zinc/83/76/61/1040837661.db2.gz FGJIHNSDKPOIEI-AXJCHDHVSA-N 2 1 397.563 3.971 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CCC[NH+](Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844226 /nfs/dbraw/zinc/84/42/26/1040844226.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](N2CCC[N@H+](Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844257 /nfs/dbraw/zinc/84/42/57/1040844257.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](N2CCC[N@@H+](Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844283 /nfs/dbraw/zinc/84/42/83/1040844283.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844290 /nfs/dbraw/zinc/84/42/90/1040844290.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844310 /nfs/dbraw/zinc/84/43/10/1040844310.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844322 /nfs/dbraw/zinc/84/43/22/1040844322.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCCN(Cc4ccncc4)CC2)C3)cc1 ZINC001255137903 1040844338 /nfs/dbraw/zinc/84/43/38/1040844338.db2.gz ZAUKMBUDYANUPX-LNWKWYTESA-N 2 1 390.575 3.785 20 0 GHADMP CCN1CC[C@]2(CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255142862 1040854643 /nfs/dbraw/zinc/85/46/43/1040854643.db2.gz KDLRHGDQFNXKBO-KHUIQGCPSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@]2(CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255142862 1040854650 /nfs/dbraw/zinc/85/46/50/1040854650.db2.gz KDLRHGDQFNXKBO-KHUIQGCPSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255142862 1040854686 /nfs/dbraw/zinc/85/46/86/1040854686.db2.gz KDLRHGDQFNXKBO-KHUIQGCPSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255142862 1040854694 /nfs/dbraw/zinc/85/46/94/1040854694.db2.gz KDLRHGDQFNXKBO-KHUIQGCPSA-N 2 1 381.564 3.516 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC[NH+](Cc4ccccc4)CC2)C3)cc1 ZINC001255143126 1040854800 /nfs/dbraw/zinc/85/48/00/1040854800.db2.gz VVXHUROMPBZJAN-LNWKWYTESA-N 2 1 375.560 4.000 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235366160 1040858825 /nfs/dbraw/zinc/85/88/25/1040858825.db2.gz QGDXRYHLISEKKT-XUZZJYLKSA-N 2 1 378.516 3.755 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)ccc21 ZINC001235365995 1040859879 /nfs/dbraw/zinc/85/98/79/1040859879.db2.gz CMIBLJBCCZQHNM-XLNZFTOWSA-N 2 1 375.516 3.767 20 0 GHADMP Brc1ccc2sc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)cc2c1 ZINC001235370920 1040873094 /nfs/dbraw/zinc/87/30/94/1040873094.db2.gz YDTPLPHPPOPXOR-DDUZABMNSA-N 2 1 393.350 3.617 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151266 1040876270 /nfs/dbraw/zinc/87/62/70/1040876270.db2.gz VGWIWNHFBJRCSU-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151266 1040876290 /nfs/dbraw/zinc/87/62/90/1040876290.db2.gz VGWIWNHFBJRCSU-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151266 1040876306 /nfs/dbraw/zinc/87/63/06/1040876306.db2.gz VGWIWNHFBJRCSU-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151266 1040876319 /nfs/dbraw/zinc/87/63/19/1040876319.db2.gz VGWIWNHFBJRCSU-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1cnc3cc(Br)ccc3c1)C2 ZINC001235402670 1040915644 /nfs/dbraw/zinc/91/56/44/1040915644.db2.gz XTBVAOJJNJBFOG-ROUUACIJSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cnc3cc(Br)ccc3c1)C2 ZINC001235402670 1040915649 /nfs/dbraw/zinc/91/56/49/1040915649.db2.gz XTBVAOJJNJBFOG-ROUUACIJSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1cccc3cc(Br)cnc31)C2 ZINC001235404413 1040916497 /nfs/dbraw/zinc/91/64/97/1040916497.db2.gz MBXQDUOQFNNSBA-AEFFLSMTSA-N 2 1 378.289 3.521 20 0 GHADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)c2)cc1 ZINC001235405151 1040917030 /nfs/dbraw/zinc/91/70/30/1040917030.db2.gz NZPHDPIGFYAEOC-GMAHTHKFSA-N 2 1 382.479 3.664 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(Br)c1OC ZINC001235425600 1040926209 /nfs/dbraw/zinc/92/62/09/1040926209.db2.gz MCGNUEBODZAVPX-CVEARBPZSA-N 2 1 397.357 3.678 20 0 GHADMP CSc1ncc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(NC2CCCC2)n1 ZINC001235427381 1040928738 /nfs/dbraw/zinc/92/87/38/1040928738.db2.gz RFSOOIAUBBNFER-DLBZAZTESA-N 2 1 389.613 3.765 20 0 GHADMP Brc1cccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)oc21 ZINC001235430140 1040930922 /nfs/dbraw/zinc/93/09/22/1040930922.db2.gz FLNAUHNGPBRZSE-KGLIPLIRSA-N 2 1 378.314 3.802 20 0 GHADMP Brc1cccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)oc21 ZINC001235430140 1040930924 /nfs/dbraw/zinc/93/09/24/1040930924.db2.gz FLNAUHNGPBRZSE-KGLIPLIRSA-N 2 1 378.314 3.802 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255386806 1040975365 /nfs/dbraw/zinc/97/53/65/1040975365.db2.gz BXGQWKHTCCSJAH-UYAOXDASSA-N 2 1 375.557 3.792 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C[C@@H]3CN(c4ccccc4)CCO3)CC2)cc1 ZINC001255388979 1040977207 /nfs/dbraw/zinc/97/72/07/1040977207.db2.gz AYZSZVAFGSICBA-ISKFKSNPSA-N 2 1 379.548 3.536 20 0 GHADMP O=C(c1ccccc1F)N1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390578 1040978086 /nfs/dbraw/zinc/97/80/86/1040978086.db2.gz JBZCWIUKFYRMGQ-SFTDATJTSA-N 2 1 395.522 3.685 20 0 GHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](Cc3ccccc3)CC1)CCO2 ZINC001255396905 1040984064 /nfs/dbraw/zinc/98/40/64/1040984064.db2.gz LRZHANCUVBWWCE-RBBKRZOGSA-N 2 1 394.515 3.941 20 0 GHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CCO2 ZINC001255396905 1040984066 /nfs/dbraw/zinc/98/40/66/1040984066.db2.gz LRZHANCUVBWWCE-RBBKRZOGSA-N 2 1 394.515 3.941 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CCC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001255400068 1040986305 /nfs/dbraw/zinc/98/63/05/1040986305.db2.gz DYUHWHBVBQLKMP-DXBBTUNJSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CCC[N@H+](Cc4ccccc4)CC3)O2)n1 ZINC001255400068 1040986310 /nfs/dbraw/zinc/98/63/10/1040986310.db2.gz DYUHWHBVBQLKMP-DXBBTUNJSA-N 2 1 396.535 3.727 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CCC[N@@H+](Cc4ccccc4)CC3)O2)n1 ZINC001255400068 1040986312 /nfs/dbraw/zinc/98/63/12/1040986312.db2.gz DYUHWHBVBQLKMP-DXBBTUNJSA-N 2 1 396.535 3.727 20 0 GHADMP O=C(C1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)N1CCCCC1 ZINC001255403925 1040990764 /nfs/dbraw/zinc/99/07/64/1040990764.db2.gz HEIFIAISTCYSLR-QHCPKHFHSA-N 2 1 383.580 3.766 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255405286 1040992836 /nfs/dbraw/zinc/99/28/36/1040992836.db2.gz YYDCROAPCOYHLJ-DNVJHFABSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255405286 1040992846 /nfs/dbraw/zinc/99/28/46/1040992846.db2.gz YYDCROAPCOYHLJ-DNVJHFABSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)C(=O)N1CC[C@@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[C@H]21 ZINC001255405286 1040992852 /nfs/dbraw/zinc/99/28/52/1040992852.db2.gz YYDCROAPCOYHLJ-DNVJHFABSA-N 2 1 383.580 3.620 20 0 GHADMP COc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409046 1040996258 /nfs/dbraw/zinc/99/62/58/1040996258.db2.gz FHMSVPUIHWHBJS-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409046 1040996260 /nfs/dbraw/zinc/99/62/60/1040996260.db2.gz FHMSVPUIHWHBJS-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP COc1ccc(O[C@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409046 1040996262 /nfs/dbraw/zinc/99/62/62/1040996262.db2.gz FHMSVPUIHWHBJS-IRLDBZIGSA-N 2 1 381.520 3.598 20 0 GHADMP COC(=O)c1cccc2c1CC[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255409602 1040997431 /nfs/dbraw/zinc/99/74/31/1040997431.db2.gz IUGCJWQTXGBAPH-NRFANRHFSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1cccc2c1CC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255409602 1040997444 /nfs/dbraw/zinc/99/74/44/1040997444.db2.gz IUGCJWQTXGBAPH-NRFANRHFSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1cccc2c1CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255409602 1040997451 /nfs/dbraw/zinc/99/74/51/1040997451.db2.gz IUGCJWQTXGBAPH-NRFANRHFSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1cccc2c1CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255409602 1040997452 /nfs/dbraw/zinc/99/74/52/1040997452.db2.gz IUGCJWQTXGBAPH-NRFANRHFSA-N 2 1 378.516 3.886 20 0 GHADMP COc1cccnc1N(C1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410074 1041002699 /nfs/dbraw/zinc/00/26/99/1041002699.db2.gz QJOCNWLDJFASFH-NRFANRHFSA-N 2 1 394.563 3.703 20 0 GHADMP Fc1cccnc1N(C1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255410410 1041003245 /nfs/dbraw/zinc/00/32/45/1041003245.db2.gz WRSDRJOCSXTZNX-FQEVSTJZSA-N 2 1 382.527 3.834 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)sc2c1CC[NH2+]C2 ZINC001235632092 1041063979 /nfs/dbraw/zinc/06/39/79/1041063979.db2.gz NYFANYVICCJBHG-SIKLNZKXSA-N 2 1 390.593 3.724 20 0 GHADMP CN1CCC[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255477821 1041077714 /nfs/dbraw/zinc/07/77/14/1041077714.db2.gz PAGUZFDUZJNMFC-FHWLQOOXSA-N 2 1 380.374 3.615 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3c(F)ccc(N)c3F)C[C@@H]21 ZINC001235660599 1041110045 /nfs/dbraw/zinc/11/00/45/1041110045.db2.gz HHSNUQRFUMKNIR-LDBYXDLTSA-N 2 1 386.490 3.675 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1Cl ZINC001235699158 1041176785 /nfs/dbraw/zinc/17/67/85/1041176785.db2.gz MLKSFHLEMRGRRT-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)CCC3CC[NH2+]CC3)c2n1 ZINC001235717495 1041201494 /nfs/dbraw/zinc/20/14/94/1041201494.db2.gz GZNNITHJPKOWOR-UHFFFAOYSA-N 2 1 392.341 3.827 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC001255704955 1041225342 /nfs/dbraw/zinc/22/53/42/1041225342.db2.gz HYNVXFNARZPSAF-SJLPKXTDSA-N 2 1 390.490 3.847 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)C1 ZINC001255706690 1041227805 /nfs/dbraw/zinc/22/78/05/1041227805.db2.gz WXTQSFBJUAPAPK-SOLBZPMBSA-N 2 1 390.490 3.847 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)C1 ZINC001255706690 1041227817 /nfs/dbraw/zinc/22/78/17/1041227817.db2.gz WXTQSFBJUAPAPK-SOLBZPMBSA-N 2 1 390.490 3.847 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)c2ccc(OC)nc12)C1CC[NH2+]CC1 ZINC001235759831 1041249398 /nfs/dbraw/zinc/24/93/98/1041249398.db2.gz BEFURPJHKUZURB-UHFFFAOYSA-N 2 1 378.314 3.580 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255740831 1041259847 /nfs/dbraw/zinc/25/98/47/1041259847.db2.gz CSELDOHLMUXIMV-LQBOVUBWSA-N 2 1 392.584 3.987 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255740831 1041259869 /nfs/dbraw/zinc/25/98/69/1041259869.db2.gz CSELDOHLMUXIMV-LQBOVUBWSA-N 2 1 392.584 3.987 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)CSc1ccc(F)cc1)C2 ZINC001255740831 1041259891 /nfs/dbraw/zinc/25/98/91/1041259891.db2.gz CSELDOHLMUXIMV-LQBOVUBWSA-N 2 1 392.584 3.987 20 0 GHADMP Cc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001255790563 1041298706 /nfs/dbraw/zinc/29/87/06/1041298706.db2.gz IHEVDFJDGCPUGZ-AGILITTLSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001255790563 1041298719 /nfs/dbraw/zinc/29/87/19/1041298719.db2.gz IHEVDFJDGCPUGZ-AGILITTLSA-N 2 1 379.548 3.544 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001255790563 1041298737 /nfs/dbraw/zinc/29/87/37/1041298737.db2.gz IHEVDFJDGCPUGZ-AGILITTLSA-N 2 1 379.548 3.544 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001255917392 1041400990 /nfs/dbraw/zinc/40/09/90/1041400990.db2.gz JCUJYLDRCSZWQU-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001255917392 1041400992 /nfs/dbraw/zinc/40/09/92/1041400992.db2.gz JCUJYLDRCSZWQU-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001255917392 1041400993 /nfs/dbraw/zinc/40/09/93/1041400993.db2.gz JCUJYLDRCSZWQU-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001255917392 1041400995 /nfs/dbraw/zinc/40/09/95/1041400995.db2.gz JCUJYLDRCSZWQU-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CCc1sc(C[N@@H+](CCCOC)C2CC[NH2+]CC2)cc1Br ZINC001235936572 1041441658 /nfs/dbraw/zinc/44/16/58/1041441658.db2.gz CYLGXSGJHMJTHT-UHFFFAOYSA-N 2 1 375.376 3.664 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001255961901 1041442321 /nfs/dbraw/zinc/44/23/21/1041442321.db2.gz YLWVHCXBESSXAU-LJQANCHMSA-N 2 1 379.614 3.535 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964533 1041445425 /nfs/dbraw/zinc/44/54/25/1041445425.db2.gz ZGAHXLVZMCVJMD-URXFXBBRSA-N 2 1 385.596 3.664 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)cn1 ZINC001235939292 1041445857 /nfs/dbraw/zinc/44/58/57/1041445857.db2.gz OVLYGBWFTXHWOS-HOTGVXAUSA-N 2 1 377.410 3.689 20 0 GHADMP COCC[N@H+](Cc1ccc(C(F)(F)F)c(Br)c1)C1CC[NH2+]CC1 ZINC001235941775 1041448055 /nfs/dbraw/zinc/44/80/55/1041448055.db2.gz AMMGSPLCMSXFIJ-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP COCC[N@@H+](Cc1ccc(C(F)(F)F)c(Br)c1)C1CC[NH2+]CC1 ZINC001235941775 1041448061 /nfs/dbraw/zinc/44/80/61/1041448061.db2.gz AMMGSPLCMSXFIJ-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OCc2ccccc2)c(F)c1)C1CC[NH2+]CC1 ZINC001235940795 1041448127 /nfs/dbraw/zinc/44/81/27/1041448127.db2.gz ZUHFKMMWXXGUQV-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001235947845 1041453279 /nfs/dbraw/zinc/45/32/79/1041453279.db2.gz LLRKQFQNCJQFOM-OCCSQVGLSA-N 2 1 378.294 3.606 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(Br)c1 ZINC001278902754 1041460789 /nfs/dbraw/zinc/46/07/89/1041460789.db2.gz VYKXOXOIPRFYET-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP CCOC(=O)CCC(CCC(=O)OCC)[N@@H+](C(CC)CC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255997228 1041467504 /nfs/dbraw/zinc/46/75/04/1041467504.db2.gz SQLWFHLUMJZPTL-UAPYVXQJSA-N 2 1 398.588 3.802 20 0 GHADMP FC(F)(F)COc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cn1 ZINC001235974669 1041479690 /nfs/dbraw/zinc/47/96/90/1041479690.db2.gz SYCIAPWGQJJAIJ-UHFFFAOYSA-N 2 1 391.437 3.660 20 0 GHADMP COC(=O)c1cc(Cl)cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235977101 1041482144 /nfs/dbraw/zinc/48/21/44/1041482144.db2.gz JLGZQFKHIJYQNU-UHFFFAOYSA-N 2 1 384.907 3.764 20 0 GHADMP COC(=O)c1cc(Cl)cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235977101 1041482159 /nfs/dbraw/zinc/48/21/59/1041482159.db2.gz JLGZQFKHIJYQNU-UHFFFAOYSA-N 2 1 384.907 3.764 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975815 1041482472 /nfs/dbraw/zinc/48/24/72/1041482472.db2.gz XAEYUTRNVSHIMH-QFIPXVFZSA-N 3 1 375.560 3.646 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975815 1041482476 /nfs/dbraw/zinc/48/24/76/1041482476.db2.gz XAEYUTRNVSHIMH-QFIPXVFZSA-N 3 1 375.560 3.646 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975815 1041482481 /nfs/dbraw/zinc/48/24/81/1041482481.db2.gz XAEYUTRNVSHIMH-QFIPXVFZSA-N 3 1 375.560 3.646 20 0 GHADMP c1ccc(CN2CC[C@H](C[N@@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975815 1041482482 /nfs/dbraw/zinc/48/24/82/1041482482.db2.gz XAEYUTRNVSHIMH-QFIPXVFZSA-N 2 1 375.560 3.646 20 0 GHADMP c1ccc(CN2CC[C@H](C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975815 1041482487 /nfs/dbraw/zinc/48/24/87/1041482487.db2.gz XAEYUTRNVSHIMH-QFIPXVFZSA-N 2 1 375.560 3.646 20 0 GHADMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C(F)(F)F)o3)C2)C1 ZINC001236072363 1041523553 /nfs/dbraw/zinc/52/35/53/1041523553.db2.gz GMTWMBDFRNDAIA-HNNXBMFYSA-N 2 1 379.426 3.573 20 0 GHADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@H+]2Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001236105283 1041537545 /nfs/dbraw/zinc/53/75/45/1041537545.db2.gz WTZZJSMJKKCYNO-RSXGOPAZSA-N 2 1 397.522 3.752 20 0 GHADMP C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)[N@@H+]2Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001236105283 1041537565 /nfs/dbraw/zinc/53/75/65/1041537565.db2.gz WTZZJSMJKKCYNO-RSXGOPAZSA-N 2 1 397.522 3.752 20 0 GHADMP FC(F)(F)c1cccc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)c1 ZINC001236145576 1041568811 /nfs/dbraw/zinc/56/88/11/1041568811.db2.gz YGJXVBQLZLDVTQ-UHFFFAOYSA-N 2 1 375.438 3.626 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)OC(C)(C)C)c2)CCN1c1cc[nH+]cc1 ZINC001462550853 1070353628 /nfs/dbraw/zinc/35/36/28/1070353628.db2.gz RDVYZCBRODGAIZ-SFHVURJKSA-N 2 1 396.535 3.817 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)CC1CC2(C1)CC[NH2+]CC2 ZINC001236154895 1041577909 /nfs/dbraw/zinc/57/79/09/1041577909.db2.gz WEQXQBNDZKIWNO-DSKINZAPSA-N 2 1 396.616 3.860 20 0 GHADMP COc1cccc(C[C@H](C)[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001256159485 1041594259 /nfs/dbraw/zinc/59/42/59/1041594259.db2.gz AIDGIZUBEXHQTH-PZJWPPBQSA-N 2 1 398.547 3.975 20 0 GHADMP C[N@@H+](Cc1ccc(Br)c(Br)c1)C1(C)CC[NH2+]CC1 ZINC001236225667 1041630858 /nfs/dbraw/zinc/63/08/58/1041630858.db2.gz AWUFPUUMDMPKDK-UHFFFAOYSA-N 2 1 376.136 3.786 20 0 GHADMP CSc1nc(Cl)cc(N2CCC[N@H+](CCC[NH2+]C3CCCCC3)CC2)n1 ZINC001236208764 1041620365 /nfs/dbraw/zinc/62/03/65/1041620365.db2.gz IIOJXGBPJFMZLZ-UHFFFAOYSA-N 2 1 398.020 3.676 20 0 GHADMP CSc1nc(Cl)cc(N2CCC[N@@H+](CCC[NH2+]C3CCCCC3)CC2)n1 ZINC001236208764 1041620371 /nfs/dbraw/zinc/62/03/71/1041620371.db2.gz IIOJXGBPJFMZLZ-UHFFFAOYSA-N 2 1 398.020 3.676 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC001236236420 1041637635 /nfs/dbraw/zinc/63/76/35/1041637635.db2.gz KCJCPZWEUSEBGI-WBAXXEDZSA-N 2 1 376.566 3.869 20 0 GHADMP C[NH+]1CCC([NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)CC1 ZINC001256207074 1041648694 /nfs/dbraw/zinc/64/86/94/1041648694.db2.gz BAABAEPUHFXVPW-LJQANCHMSA-N 2 1 395.591 3.661 20 0 GHADMP OCCCCCC[N@@H+](Cc1ccccc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236314129 1041667303 /nfs/dbraw/zinc/66/73/03/1041667303.db2.gz IQSGSTOHDGWGAJ-UHFFFAOYSA-N 2 1 381.564 3.651 20 0 GHADMP Brc1cccc(-c2ccncc2C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236316522 1041668597 /nfs/dbraw/zinc/66/85/97/1041668597.db2.gz UAKMAYDEPBPADW-CALCHBBNSA-N 2 1 386.337 3.943 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001256294803 1041688662 /nfs/dbraw/zinc/68/86/62/1041688662.db2.gz HITKXAWKWQIAAD-XMMPIXPASA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256294803 1041688668 /nfs/dbraw/zinc/68/86/68/1041688668.db2.gz HITKXAWKWQIAAD-XMMPIXPASA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256294803 1041688672 /nfs/dbraw/zinc/68/86/72/1041688672.db2.gz HITKXAWKWQIAAD-XMMPIXPASA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296706 1041690248 /nfs/dbraw/zinc/69/02/48/1041690248.db2.gz RESKYVWTQZLYIZ-LEWJYISDSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296706 1041690251 /nfs/dbraw/zinc/69/02/51/1041690251.db2.gz RESKYVWTQZLYIZ-LEWJYISDSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001256296706 1041690254 /nfs/dbraw/zinc/69/02/54/1041690254.db2.gz RESKYVWTQZLYIZ-LEWJYISDSA-N 2 1 399.579 3.840 20 0 GHADMP CCOc1ncc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1F ZINC001236385282 1041693556 /nfs/dbraw/zinc/69/35/56/1041693556.db2.gz SDGINHXSXUWCGI-UHFFFAOYSA-N 2 1 375.463 3.760 20 0 GHADMP Cc1cc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc(C)c1OCCO ZINC001236407606 1041703809 /nfs/dbraw/zinc/70/38/09/1041703809.db2.gz VVSGNNWYQCFDHR-UHFFFAOYSA-N 2 1 386.511 3.568 20 0 GHADMP Cc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc(C)c1OCCO ZINC001236407606 1041703814 /nfs/dbraw/zinc/70/38/14/1041703814.db2.gz VVSGNNWYQCFDHR-UHFFFAOYSA-N 2 1 386.511 3.568 20 0 GHADMP CC[N@H+](Cc1ccc(Br)c(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236408498 1041704497 /nfs/dbraw/zinc/70/44/97/1041704497.db2.gz NQEWOVVMQBHLPF-LBPRGKRZSA-N 2 1 376.136 3.643 20 0 GHADMP Fc1cccc(C[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C2CC[NH2+]CC2)c1 ZINC001236408777 1041704784 /nfs/dbraw/zinc/70/47/84/1041704784.db2.gz SZWYUGWZUGCKHP-UHFFFAOYSA-N 3 1 392.522 3.638 20 0 GHADMP Fc1cccc(C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C2CC[NH2+]CC2)c1 ZINC001236408777 1041704792 /nfs/dbraw/zinc/70/47/92/1041704792.db2.gz SZWYUGWZUGCKHP-UHFFFAOYSA-N 3 1 392.522 3.638 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(O)c3ncccc23)C2CC[NH2+]CC2)cc1 ZINC001236445988 1041716056 /nfs/dbraw/zinc/71/60/56/1041716056.db2.gz IJRVCSNEJAUXGO-UHFFFAOYSA-N 2 1 377.488 3.703 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN(Cc2ccccn2)C2CC[NH2+]CC2)cc1 ZINC001236447224 1041717021 /nfs/dbraw/zinc/71/70/21/1041717021.db2.gz IQQFIHVRUYCUBJ-XMMPIXPASA-N 2 1 378.564 3.690 20 0 GHADMP CCOc1ccc(C[N@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c(C)c1 ZINC001236464691 1041726333 /nfs/dbraw/zinc/72/63/33/1041726333.db2.gz JDMWYDRYFOOZBH-UHFFFAOYSA-N 2 1 396.531 3.935 20 0 GHADMP CCOc1ccc(C[N@@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c(C)c1 ZINC001236464691 1041726335 /nfs/dbraw/zinc/72/63/35/1041726335.db2.gz JDMWYDRYFOOZBH-UHFFFAOYSA-N 2 1 396.531 3.935 20 0 GHADMP Fc1ccc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1F ZINC001278936009 1041727166 /nfs/dbraw/zinc/72/71/66/1041727166.db2.gz XXKILRMXNWGSNH-UHFFFAOYSA-N 2 1 380.870 3.829 20 0 GHADMP Fc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1F ZINC001278936009 1041727177 /nfs/dbraw/zinc/72/71/77/1041727177.db2.gz XXKILRMXNWGSNH-UHFFFAOYSA-N 2 1 380.870 3.829 20 0 GHADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1F ZINC001278936009 1041727188 /nfs/dbraw/zinc/72/71/88/1041727188.db2.gz XXKILRMXNWGSNH-UHFFFAOYSA-N 2 1 380.870 3.829 20 0 GHADMP CCOCC[N@@H+](Cc1cccc(-c2ccc(C(=O)OC)cc2)c1)C1CC[NH2+]CC1 ZINC001236465696 1041727586 /nfs/dbraw/zinc/72/75/86/1041727586.db2.gz RHBYVISFNLJHOQ-UHFFFAOYSA-N 2 1 396.531 3.731 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2scc3c2OCCO3)Cc2ccccc2F)CC1 ZINC001236536446 1041755438 /nfs/dbraw/zinc/75/54/38/1041755438.db2.gz DVQFTDRHRKJOFQ-WKILWMFISA-N 2 1 376.497 3.931 20 0 GHADMP CCOc1ncc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC001236545326 1041758564 /nfs/dbraw/zinc/75/85/64/1041758564.db2.gz NYYOJIKPUAWOKX-WGSAOQKQSA-N 2 1 387.499 3.900 20 0 GHADMP COc1ccc(C[N@H+](Cc2c(F)ccc(O)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236546049 1041758720 /nfs/dbraw/zinc/75/87/20/1041758720.db2.gz VVDUPFUEZBHBKO-WKILWMFISA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c(F)ccc(O)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236546049 1041758725 /nfs/dbraw/zinc/75/87/25/1041758725.db2.gz VVDUPFUEZBHBKO-WKILWMFISA-N 2 1 376.447 3.951 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556996 1041761271 /nfs/dbraw/zinc/76/12/71/1041761271.db2.gz GIEAUORRUPXCEE-RQNOJGIXSA-N 3 1 392.591 3.677 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(-c3ccc(SC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001236558740 1041762487 /nfs/dbraw/zinc/76/24/87/1041762487.db2.gz FIIGKTQQNHWPDE-UHFFFAOYSA-N 2 1 395.572 3.585 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236671099 1041818738 /nfs/dbraw/zinc/81/87/38/1041818738.db2.gz DBWSRWUWUXGBSX-YFVAEKQCSA-N 2 1 381.520 3.761 20 0 GHADMP Cc1nnn(-c2ccc(F)cc2)c1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702027 1041841816 /nfs/dbraw/zinc/84/18/16/1041841816.db2.gz WSZNZKAWSCKKNN-MEMLXQNLSA-N 2 1 393.510 3.987 20 0 GHADMP c1cc2c(cccc2C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)o1 ZINC001236744173 1041870063 /nfs/dbraw/zinc/87/00/63/1041870063.db2.gz UCNXRBVEPXLNDV-UHFFFAOYSA-N 2 1 391.515 3.942 20 0 GHADMP CS(=O)(=O)c1ccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC001236769642 1041880993 /nfs/dbraw/zinc/88/09/93/1041880993.db2.gz YIBLSWOPSWXQPB-WGSAOQKQSA-N 2 1 396.572 3.881 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1c(Br)cccc1Br)CC2 ZINC001237356302 1042166379 /nfs/dbraw/zinc/16/63/79/1042166379.db2.gz IACLEKWKRLIPIN-CQSZACIVSA-N 2 1 388.147 3.915 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2c(OC(C)C)ccc3ccccc32)CCC12C[NH2+]C2 ZINC001237430101 1042205529 /nfs/dbraw/zinc/20/55/29/1042205529.db2.gz IQMNOCSBVQWYHL-OAQYLSRUSA-N 2 1 396.531 3.602 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2sc(Cl)c3ccccc32)CCC12C[NH2+]C2 ZINC001237436036 1042207064 /nfs/dbraw/zinc/20/70/64/1042207064.db2.gz NIGVJCSWCMPZPY-OAHLLOKOSA-N 2 1 378.925 3.529 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccn3nccc3c1)CC2 ZINC001237539366 1042255974 /nfs/dbraw/zinc/25/59/74/1042255974.db2.gz RJNHJPCSLAHXRD-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)n1 ZINC001237794603 1042374142 /nfs/dbraw/zinc/37/41/42/1042374142.db2.gz HYGKVMAHWUJGSJ-UHFFFAOYSA-N 2 1 386.927 3.627 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3CCC([N@@H+](C)C4CCOCC4)CC3)cc21 ZINC001237887264 1042410294 /nfs/dbraw/zinc/41/02/94/1042410294.db2.gz UWBLAZWQGHVKOG-UHFFFAOYSA-N 2 1 383.580 3.763 20 0 GHADMP O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3cccc4cncn43)C2)C1 ZINC001238106456 1042493889 /nfs/dbraw/zinc/49/38/89/1042493889.db2.gz ZSMQFEFADLCQHO-OAQYLSRUSA-N 2 1 380.517 3.524 20 0 GHADMP O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238106456 1042493892 /nfs/dbraw/zinc/49/38/92/1042493892.db2.gz ZSMQFEFADLCQHO-OAQYLSRUSA-N 2 1 380.517 3.524 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccccc2-c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC001240174118 1042900173 /nfs/dbraw/zinc/90/01/73/1042900173.db2.gz KAJJWJOLBWZFMN-UHFFFAOYSA-N 2 1 377.532 3.727 20 0 GHADMP c1ccc(C[N@H+]2CCC=C(c3ccc4c(c3)COC3(CC[NH2+]CC3)O4)C2)cc1 ZINC001240388746 1042924887 /nfs/dbraw/zinc/92/48/87/1042924887.db2.gz URIQLGQETJPNRZ-UHFFFAOYSA-N 2 1 376.500 3.965 20 0 GHADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1Cl ZINC001278314113 1042931451 /nfs/dbraw/zinc/93/14/51/1042931451.db2.gz JDORSTRLPIKFMO-IYBDPMFKSA-N 2 1 375.866 3.569 20 0 GHADMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1Cl ZINC001278314113 1042931454 /nfs/dbraw/zinc/93/14/54/1042931454.db2.gz JDORSTRLPIKFMO-IYBDPMFKSA-N 2 1 375.866 3.569 20 0 GHADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001462674901 1070463214 /nfs/dbraw/zinc/46/32/14/1070463214.db2.gz ZXVLWBBFHAQCCS-LCWAXJCOSA-N 2 1 379.589 3.875 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccncc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530294 1043460103 /nfs/dbraw/zinc/46/01/03/1043460103.db2.gz BFSNAVRQXRYPMO-REWPJTCUSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2(Cc3ccncc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256530294 1043460119 /nfs/dbraw/zinc/46/01/19/1043460119.db2.gz BFSNAVRQXRYPMO-REWPJTCUSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2(Cc3ccccn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530343 1043461360 /nfs/dbraw/zinc/46/13/60/1043461360.db2.gz BXPGSRXNUFWPIN-RBBKRZOGSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2(Cc3ccccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256530343 1043461367 /nfs/dbraw/zinc/46/13/67/1043461367.db2.gz BXPGSRXNUFWPIN-RBBKRZOGSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@H]1C[C@H](NC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530922 1043463728 /nfs/dbraw/zinc/46/37/28/1043463728.db2.gz FWSPVBFHPIKZGG-GBXCKJPGSA-N 2 1 385.596 3.520 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC001256530836 1043463854 /nfs/dbraw/zinc/46/38/54/1043463854.db2.gz FCXBKIRSFPFEQR-GHTZIAJQSA-N 2 1 386.511 3.994 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC001256530836 1043463872 /nfs/dbraw/zinc/46/38/72/1043463872.db2.gz FCXBKIRSFPFEQR-GHTZIAJQSA-N 2 1 386.511 3.994 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531440 1043464120 /nfs/dbraw/zinc/46/41/20/1043464120.db2.gz HURATLCSJKZPMJ-QDSKXPNFSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001256531440 1043464145 /nfs/dbraw/zinc/46/41/45/1043464145.db2.gz HURATLCSJKZPMJ-QDSKXPNFSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@H]1C[C@@H](NC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530924 1043464846 /nfs/dbraw/zinc/46/48/46/1043464846.db2.gz FWSPVBFHPIKZGG-RDPSFJRHSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccnc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534889 1043472656 /nfs/dbraw/zinc/47/26/56/1043472656.db2.gz AGQYHCVNTGEAOR-OFNKIYASSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3cccnc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256534889 1043472663 /nfs/dbraw/zinc/47/26/63/1043472663.db2.gz AGQYHCVNTGEAOR-OFNKIYASSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC001256540669 1043491310 /nfs/dbraw/zinc/49/13/10/1043491310.db2.gz ZABNACNJAYRLOF-NRTAZHGZSA-N 2 1 385.596 3.790 20 0 GHADMP C[C@H]1C[C@H]([NH+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256540669 1043491323 /nfs/dbraw/zinc/49/13/23/1043491323.db2.gz ZABNACNJAYRLOF-NRTAZHGZSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@H]1C[C@H]([NH+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256540669 1043491329 /nfs/dbraw/zinc/49/13/29/1043491329.db2.gz ZABNACNJAYRLOF-NRTAZHGZSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256540669 1043491335 /nfs/dbraw/zinc/49/13/35/1043491335.db2.gz ZABNACNJAYRLOF-NRTAZHGZSA-N 3 1 385.596 3.790 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC[NH+]1Cc1ccccc1 ZINC001256540669 1043491346 /nfs/dbraw/zinc/49/13/46/1043491346.db2.gz ZABNACNJAYRLOF-NRTAZHGZSA-N 3 1 385.596 3.790 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541798 1043493876 /nfs/dbraw/zinc/49/38/76/1043493876.db2.gz JCFDYNSDDSBWEX-QLBJFCOMSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541798 1043493889 /nfs/dbraw/zinc/49/38/89/1043493889.db2.gz JCFDYNSDDSBWEX-QLBJFCOMSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541798 1043493903 /nfs/dbraw/zinc/49/39/03/1043493903.db2.gz JCFDYNSDDSBWEX-QLBJFCOMSA-N 2 1 399.623 3.862 20 0 GHADMP C[C@@H]1C[C@@H](n2nc(COCC3CC3)c3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256545276 1043502372 /nfs/dbraw/zinc/50/23/72/1043502372.db2.gz RSRVAVUDCZHLRL-XLIONFOSSA-N 2 1 380.536 3.639 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CCN1Cc1ccccc1 ZINC001256550634 1043514275 /nfs/dbraw/zinc/51/42/75/1043514275.db2.gz MYOLRAKVDUBVBC-CDIGIKMISA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256550634 1043514287 /nfs/dbraw/zinc/51/42/87/1043514287.db2.gz MYOLRAKVDUBVBC-CDIGIKMISA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256550634 1043514292 /nfs/dbraw/zinc/51/42/92/1043514292.db2.gz MYOLRAKVDUBVBC-CDIGIKMISA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550634 1043514303 /nfs/dbraw/zinc/51/43/03/1043514303.db2.gz MYOLRAKVDUBVBC-CDIGIKMISA-N 2 1 384.564 3.700 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550634 1043514312 /nfs/dbraw/zinc/51/43/12/1043514312.db2.gz MYOLRAKVDUBVBC-CDIGIKMISA-N 2 1 384.564 3.700 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256559221 1043532901 /nfs/dbraw/zinc/53/29/01/1043532901.db2.gz ZIOYFURVEWKBME-UGKGYDQZSA-N 3 1 394.563 3.702 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256559221 1043532904 /nfs/dbraw/zinc/53/29/04/1043532904.db2.gz ZIOYFURVEWKBME-UGKGYDQZSA-N 2 1 394.563 3.702 20 0 GHADMP COc1ccnc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001256559221 1043532909 /nfs/dbraw/zinc/53/29/09/1043532909.db2.gz ZIOYFURVEWKBME-UGKGYDQZSA-N 2 1 394.563 3.702 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256570322 1043542194 /nfs/dbraw/zinc/54/21/94/1043542194.db2.gz FLNFJQYRCWNEER-QUCCMNQESA-N 2 1 378.564 3.922 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001256574033 1043547689 /nfs/dbraw/zinc/54/76/89/1043547689.db2.gz UNCKOFLDDDVROP-OFNKIYASSA-N 2 1 387.568 3.594 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001256574033 1043547695 /nfs/dbraw/zinc/54/76/95/1043547695.db2.gz UNCKOFLDDDVROP-OFNKIYASSA-N 2 1 387.568 3.594 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC001256577164 1043549891 /nfs/dbraw/zinc/54/98/91/1043549891.db2.gz DORICQKDTQCICL-NRFANRHFSA-N 2 1 387.568 3.542 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)cc1 ZINC001256577164 1043549903 /nfs/dbraw/zinc/54/99/03/1043549903.db2.gz DORICQKDTQCICL-NRFANRHFSA-N 2 1 387.568 3.542 20 0 GHADMP O=C1N[C@H](c2ccccc2)C12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256607690 1043573009 /nfs/dbraw/zinc/57/30/09/1043573009.db2.gz RFILHLSWCAALHE-HSZRJFAPSA-N 2 1 389.543 3.604 20 0 GHADMP CN(C[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001256609983 1043574909 /nfs/dbraw/zinc/57/49/09/1043574909.db2.gz WFKODKVHSSPEPS-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)C(=O)OC(C)(C)C ZINC001256609983 1043574917 /nfs/dbraw/zinc/57/49/17/1043574917.db2.gz WFKODKVHSSPEPS-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256612533 1043575475 /nfs/dbraw/zinc/57/54/75/1043575475.db2.gz LKHGMEYZUHLDOQ-QFIPXVFZSA-N 2 1 390.531 3.773 20 0 GHADMP COc1cc2cccnc2c(N([C@@H](C)CCC[NH3+])C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001256615054 1043578742 /nfs/dbraw/zinc/57/87/42/1043578742.db2.gz SMXRXTMOWUWRBH-DAABDDCCSA-N 2 1 382.552 3.802 20 0 GHADMP COc1cccc2c1CC[C@H]([NH+]1CCC3(CC[N@@H+](Cc4cccnc4)C3)CC1)C2 ZINC001256650087 1043595223 /nfs/dbraw/zinc/59/52/23/1043595223.db2.gz FOTJTTPJCABBOF-QFIPXVFZSA-N 2 1 391.559 3.936 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808117 1043664537 /nfs/dbraw/zinc/66/45/37/1043664537.db2.gz DSMDISNRPOJEQJ-OLKYXYMISA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808117 1043664542 /nfs/dbraw/zinc/66/45/42/1043664542.db2.gz DSMDISNRPOJEQJ-OLKYXYMISA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCO[C@@H](c3ccccc3)C1)C2 ZINC001256808117 1043664546 /nfs/dbraw/zinc/66/45/46/1043664546.db2.gz DSMDISNRPOJEQJ-OLKYXYMISA-N 2 1 384.564 3.587 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001256838444 1043688106 /nfs/dbraw/zinc/68/81/06/1043688106.db2.gz SMEGGEXLUMUBOO-HNNXBMFYSA-N 3 1 384.406 3.855 20 0 GHADMP CC(C)[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865269 1043711368 /nfs/dbraw/zinc/71/13/68/1043711368.db2.gz VPQIMLCIJJSOKO-HXUWFJFHSA-N 2 1 388.556 3.770 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001256881973 1043718246 /nfs/dbraw/zinc/71/82/46/1043718246.db2.gz XTTBHVUHGFIDLW-OSYLJGHBSA-N 2 1 382.474 3.674 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001256881973 1043718260 /nfs/dbraw/zinc/71/82/60/1043718260.db2.gz XTTBHVUHGFIDLW-OSYLJGHBSA-N 2 1 382.474 3.674 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894797 1043727411 /nfs/dbraw/zinc/72/74/11/1043727411.db2.gz MUSLGRPNEPVTSS-ANTGDGSKSA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894797 1043727432 /nfs/dbraw/zinc/72/74/32/1043727432.db2.gz MUSLGRPNEPVTSS-ANTGDGSKSA-N 2 1 391.600 3.876 20 0 GHADMP O=C(c1cccc(F)c1)N1CCC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256906380 1043733683 /nfs/dbraw/zinc/73/36/83/1043733683.db2.gz AWCFWZROIOLQNK-NRFANRHFSA-N 2 1 387.543 3.675 20 0 GHADMP O=C(c1cccc(F)c1)N1CCC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256906380 1043733693 /nfs/dbraw/zinc/73/36/93/1043733693.db2.gz AWCFWZROIOLQNK-NRFANRHFSA-N 2 1 387.543 3.675 20 0 GHADMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC001292465011 1043748638 /nfs/dbraw/zinc/74/86/38/1043748638.db2.gz SWIPIDALFPUFOK-GOSISDBHSA-N 2 1 399.966 3.677 20 0 GHADMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC001292465011 1043748648 /nfs/dbraw/zinc/74/86/48/1043748648.db2.gz SWIPIDALFPUFOK-GOSISDBHSA-N 2 1 399.966 3.677 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256980240 1043782877 /nfs/dbraw/zinc/78/28/77/1043782877.db2.gz QGJZSNMAPAADRQ-NYZKWMLCSA-N 2 1 388.552 3.889 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001257144610 1043894023 /nfs/dbraw/zinc/89/40/23/1043894023.db2.gz HIVIVWBCYLWREI-UGKGYDQZSA-N 2 1 380.532 3.906 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3ccc(OC)cc3)CC2)cc1 ZINC001257152872 1043901942 /nfs/dbraw/zinc/90/19/42/1043901942.db2.gz CCUIYDRCAIGKPN-SFHVURJKSA-N 2 1 396.531 3.753 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001292830251 1043902701 /nfs/dbraw/zinc/90/27/01/1043902701.db2.gz HDAGFSAZTJMGTQ-QIJUGHKUSA-N 2 1 379.548 3.577 20 0 GHADMP CC(C)[NH+]1CCC([NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CC1 ZINC001257218590 1043939840 /nfs/dbraw/zinc/93/98/40/1043939840.db2.gz WRSJJLJLHISBFJ-UHFFFAOYSA-N 2 1 375.582 3.549 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001257476014 1044008247 /nfs/dbraw/zinc/00/82/47/1044008247.db2.gz FCGWGUDZQCCXOM-RBUKOAKNSA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001257476014 1044008256 /nfs/dbraw/zinc/00/82/56/1044008256.db2.gz FCGWGUDZQCCXOM-RBUKOAKNSA-N 2 1 376.589 3.894 20 0 GHADMP CCC[C@H](C)CC[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001257476014 1044008266 /nfs/dbraw/zinc/00/82/66/1044008266.db2.gz FCGWGUDZQCCXOM-RBUKOAKNSA-N 2 1 376.589 3.894 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CCCN(C(=O)OC(C)(C)C)C3)CC2)C1 ZINC001257765035 1044154706 /nfs/dbraw/zinc/15/47/06/1044154706.db2.gz YULSKBBSBIHHJM-FLPIEVNYSA-N 2 1 379.589 3.878 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257821273 1044202926 /nfs/dbraw/zinc/20/29/26/1044202926.db2.gz KJKKUDDJIRTKLE-UGKGYDQZSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257821273 1044202938 /nfs/dbraw/zinc/20/29/38/1044202938.db2.gz KJKKUDDJIRTKLE-UGKGYDQZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC1 ZINC001258013999 1044340738 /nfs/dbraw/zinc/34/07/38/1044340738.db2.gz BUGYWKUOCDEGCH-JOCHJYFZSA-N 2 1 391.506 3.514 20 0 GHADMP CCOC(=O)CCC[C@@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001258113595 1044402776 /nfs/dbraw/zinc/40/27/76/1044402776.db2.gz WPCYHKLGJZXNNB-ZJACJNJLSA-N 2 1 378.516 3.685 20 0 GHADMP CSCC[C@H](C)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258228758 1044479376 /nfs/dbraw/zinc/47/93/76/1044479376.db2.gz KGLOSSFNRYZDJP-INIZCTEOSA-N 2 1 385.618 3.582 20 0 GHADMP COC(=O)CC[C@H](C)[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258361772 1044523455 /nfs/dbraw/zinc/52/34/55/1044523455.db2.gz PTPRNTBBEZWSNU-WBAXXEDZSA-N 2 1 397.357 3.863 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001258389284 1044530182 /nfs/dbraw/zinc/53/01/82/1044530182.db2.gz LKLUMQOZVJFVAY-FQEVSTJZSA-N 2 1 381.564 3.554 20 0 GHADMP Fc1cccc(N2CCC([N@H+]3C[C@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)c1 ZINC001258421761 1044554965 /nfs/dbraw/zinc/55/49/65/1044554965.db2.gz JACJOQSOIRTXGT-HDICACEKSA-N 2 1 385.552 3.920 20 0 GHADMP Fc1cccc(N2CCC([N@@H+]3C[C@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)c1 ZINC001258421761 1044554980 /nfs/dbraw/zinc/55/49/80/1044554980.db2.gz JACJOQSOIRTXGT-HDICACEKSA-N 2 1 385.552 3.920 20 0 GHADMP Fc1cccc(N2CCC([NH+]3C[C@H]4C[N@@H+](Cc5cccs5)C[C@H]4C3)CC2)c1 ZINC001258421761 1044554991 /nfs/dbraw/zinc/55/49/91/1044554991.db2.gz JACJOQSOIRTXGT-HDICACEKSA-N 2 1 385.552 3.920 20 0 GHADMP Fc1cccc(N2CCC([NH+]3C[C@H]4C[N@H+](Cc5cccs5)C[C@H]4C3)CC2)c1 ZINC001258421761 1044555004 /nfs/dbraw/zinc/55/50/04/1044555004.db2.gz JACJOQSOIRTXGT-HDICACEKSA-N 2 1 385.552 3.920 20 0 GHADMP CC(C)N1CCOC[C@@]2(CCC[N@H+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523802 1044601571 /nfs/dbraw/zinc/60/15/71/1044601571.db2.gz JWZJSMHLGSNKBQ-QFIPXVFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523802 1044601583 /nfs/dbraw/zinc/60/15/83/1044601583.db2.gz JWZJSMHLGSNKBQ-QFIPXVFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523802 1044601588 /nfs/dbraw/zinc/60/15/88/1044601588.db2.gz JWZJSMHLGSNKBQ-QFIPXVFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523802 1044601600 /nfs/dbraw/zinc/60/16/00/1044601600.db2.gz JWZJSMHLGSNKBQ-QFIPXVFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC4(CC3)OCC(C)(C)CO4)C2)C1 ZINC001258523802 1044601608 /nfs/dbraw/zinc/60/16/08/1044601608.db2.gz JWZJSMHLGSNKBQ-QFIPXVFZSA-N 2 1 394.600 3.521 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001294552263 1044699993 /nfs/dbraw/zinc/69/99/93/1044699993.db2.gz CIXNWAQHINUFPW-RPWUZVMVSA-N 2 1 397.607 3.868 20 0 GHADMP COc1ccccc1C[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001258889515 1044841013 /nfs/dbraw/zinc/84/10/13/1044841013.db2.gz JFKLVOBYKRRKHX-OAQYLSRUSA-N 2 1 394.559 3.993 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001261811276 1046100035 /nfs/dbraw/zinc/10/00/35/1046100035.db2.gz AWJGOXJQFJHMOA-QZTJIDSGSA-N 2 1 378.314 3.542 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001261811276 1046100036 /nfs/dbraw/zinc/10/00/36/1046100036.db2.gz AWJGOXJQFJHMOA-QZTJIDSGSA-N 2 1 378.314 3.542 20 0 GHADMP C[N@H+](CCCO)C1CC[NH+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)CC1 ZINC000573263882 1046204634 /nfs/dbraw/zinc/20/46/34/1046204634.db2.gz MSCMCEVFEAZMRO-NRFANRHFSA-N 2 1 380.960 3.586 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+]([C@@H](c2ccc(Cl)cc2)C2CCOCC2)CC1 ZINC000573263882 1046204642 /nfs/dbraw/zinc/20/46/42/1046204642.db2.gz MSCMCEVFEAZMRO-NRFANRHFSA-N 2 1 380.960 3.586 20 0 GHADMP C[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCCC1 ZINC001301486019 1046562863 /nfs/dbraw/zinc/56/28/63/1046562863.db2.gz IHCWJBZEPPOZRM-UNMCSNQZSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)C2)c1 ZINC001301784141 1046702485 /nfs/dbraw/zinc/70/24/85/1046702485.db2.gz ZAJDNOVHYFPQOQ-HSZRJFAPSA-N 2 1 386.499 3.560 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001302057129 1046796505 /nfs/dbraw/zinc/79/65/05/1046796505.db2.gz DPQUCMMIQXTZIL-OAQYLSRUSA-N 2 1 387.543 3.657 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001302057129 1046796518 /nfs/dbraw/zinc/79/65/18/1046796518.db2.gz DPQUCMMIQXTZIL-OAQYLSRUSA-N 2 1 387.543 3.657 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ncccc3Cl)C[C@H]2CC1 ZINC001279447772 1047812771 /nfs/dbraw/zinc/81/27/71/1047812771.db2.gz FZLIIMAHZHVZAG-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ncccc3Cl)C[C@H]2CC1 ZINC001279447772 1047812780 /nfs/dbraw/zinc/81/27/80/1047812780.db2.gz FZLIIMAHZHVZAG-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ncccc3Cl)C[C@H]2CC1 ZINC001279447772 1047812788 /nfs/dbraw/zinc/81/27/88/1047812788.db2.gz FZLIIMAHZHVZAG-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Clc1ncnc(Cl)c1CC[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279601163 1047863649 /nfs/dbraw/zinc/86/36/49/1047863649.db2.gz XQNHFMAZOFWURX-GASCZTMLSA-N 2 1 383.367 3.912 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc3sccc3nc1Cl)C2 ZINC001279673040 1047909969 /nfs/dbraw/zinc/90/99/69/1047909969.db2.gz WMGMZYKPFCRUJW-HXUWFJFHSA-N 2 1 393.000 3.799 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3sccc3nc1Cl)C2 ZINC001279673040 1047909971 /nfs/dbraw/zinc/90/99/71/1047909971.db2.gz WMGMZYKPFCRUJW-HXUWFJFHSA-N 2 1 393.000 3.799 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001280009892 1048047870 /nfs/dbraw/zinc/04/78/70/1048047870.db2.gz MAIIRXVQLFPGSI-OXQOHEQNSA-N 2 1 398.378 3.616 20 0 GHADMP CC1(C)OC[C@@H](C[N@@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)O1 ZINC001280227280 1048137433 /nfs/dbraw/zinc/13/74/33/1048137433.db2.gz MGHIWMBZIRVAOH-AEFFLSMTSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@@H](C[N@H+]2CCC[C@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)O1 ZINC001280227280 1048137437 /nfs/dbraw/zinc/13/74/37/1048137437.db2.gz MGHIWMBZIRVAOH-AEFFLSMTSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@@H](C[NH+]2CCC[C@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)O1 ZINC001280227280 1048137442 /nfs/dbraw/zinc/13/74/42/1048137442.db2.gz MGHIWMBZIRVAOH-AEFFLSMTSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@@H](C[NH+]2CCC[C@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)O1 ZINC001280227280 1048137446 /nfs/dbraw/zinc/13/74/46/1048137446.db2.gz MGHIWMBZIRVAOH-AEFFLSMTSA-N 2 1 378.479 3.658 20 0 GHADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001280270909 1048155346 /nfs/dbraw/zinc/15/53/46/1048155346.db2.gz LUGLMGSHSOWUIB-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP C[NH+]1CCC(NC(=O)[C@H]2CCC[C@]23CC[N@@H+](Cc2ccc(Cl)s2)C3)CC1 ZINC001280310884 1048174271 /nfs/dbraw/zinc/17/42/71/1048174271.db2.gz PEPFLBMOUKQDLU-YLJYHZDGSA-N 2 1 396.000 3.604 20 0 GHADMP CCC[NH+]1CCC(N(C)c2nnc(C)n2CCC[N@@H+](C)C2CCCCC2)CC1 ZINC001307049911 1049041651 /nfs/dbraw/zinc/04/16/51/1049041651.db2.gz OHYOUKXNNREUEN-UHFFFAOYSA-N 2 1 390.620 3.552 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001307670797 1049491810 /nfs/dbraw/zinc/49/18/10/1049491810.db2.gz UDTLZNYBTQAYEV-FCGDIQPGSA-N 2 1 379.589 3.922 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC001307800305 1049598651 /nfs/dbraw/zinc/59/86/51/1049598651.db2.gz PWZHLYGKXUXXSX-VIZSFHNOSA-N 2 1 384.495 3.651 20 0 GHADMP Cn1c(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc2ccccc21 ZINC001308196042 1049908392 /nfs/dbraw/zinc/90/83/92/1049908392.db2.gz AHSGPTXPSGIKDE-DEOSSOPVSA-N 2 1 376.548 3.647 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)c2ccccc12 ZINC001308245209 1049924745 /nfs/dbraw/zinc/92/47/45/1049924745.db2.gz UEJDUDHASVFQGU-UHFFFAOYSA-N 2 1 389.543 3.886 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308281872 1049936244 /nfs/dbraw/zinc/93/62/44/1049936244.db2.gz CXUBXIQQBVHGAO-UKILVPOCSA-N 2 1 387.527 3.721 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308281872 1049936246 /nfs/dbraw/zinc/93/62/46/1049936246.db2.gz CXUBXIQQBVHGAO-UKILVPOCSA-N 2 1 387.527 3.721 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568458 1050013162 /nfs/dbraw/zinc/01/31/62/1050013162.db2.gz DYAODOJMYZTPGH-UKRRQHHQSA-N 2 1 383.330 3.540 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568458 1050013164 /nfs/dbraw/zinc/01/31/64/1050013164.db2.gz DYAODOJMYZTPGH-UKRRQHHQSA-N 2 1 383.330 3.540 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568458 1050013168 /nfs/dbraw/zinc/01/31/68/1050013168.db2.gz DYAODOJMYZTPGH-UKRRQHHQSA-N 2 1 383.330 3.540 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@H]1C ZINC001308568458 1050013172 /nfs/dbraw/zinc/01/31/72/1050013172.db2.gz DYAODOJMYZTPGH-UKRRQHHQSA-N 2 1 383.330 3.540 20 0 GHADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC001308625031 1050037691 /nfs/dbraw/zinc/03/76/91/1050037691.db2.gz WYGCGRPSCJGHBN-VURMDHGXSA-N 2 1 383.511 3.602 20 0 GHADMP COC(=O)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308968342 1050229662 /nfs/dbraw/zinc/22/96/62/1050229662.db2.gz CUKLOOSYRHVZSW-PKTZIBPZSA-N 2 1 392.543 3.948 20 0 GHADMP COC(=O)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC001308968342 1050229671 /nfs/dbraw/zinc/22/96/71/1050229671.db2.gz CUKLOOSYRHVZSW-PKTZIBPZSA-N 2 1 392.543 3.948 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001328492666 1050528186 /nfs/dbraw/zinc/52/81/86/1050528186.db2.gz NWWBLWUROZGYOO-UHFFFAOYSA-N 2 1 398.572 3.793 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001328492666 1050528200 /nfs/dbraw/zinc/52/82/00/1050528200.db2.gz NWWBLWUROZGYOO-UHFFFAOYSA-N 2 1 398.572 3.793 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001329139845 1050731796 /nfs/dbraw/zinc/73/17/96/1050731796.db2.gz BCHDAXBVGRTDAA-UCBGAZFYSA-N 2 1 394.559 3.910 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329284597 1050770271 /nfs/dbraw/zinc/77/02/71/1050770271.db2.gz XIEIHBDZVMNAAJ-HXUWFJFHSA-N 2 1 399.579 3.546 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC001331501537 1051303064 /nfs/dbraw/zinc/30/30/64/1051303064.db2.gz LZWBBJIBHANUCA-UNMCSNQZSA-N 2 1 383.511 3.668 20 0 GHADMP C[C@@H](CCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC001311403782 1052107432 /nfs/dbraw/zinc/10/74/32/1052107432.db2.gz LPPRVVRKPFZDNP-HBMCJLEFSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@@H](CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC001311403782 1052107438 /nfs/dbraw/zinc/10/74/38/1052107438.db2.gz LPPRVVRKPFZDNP-HBMCJLEFSA-N 2 1 388.600 3.564 20 0 GHADMP C[C@@H](CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC001311403782 1052107457 /nfs/dbraw/zinc/10/74/57/1052107457.db2.gz LPPRVVRKPFZDNP-HBMCJLEFSA-N 2 1 388.600 3.564 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001311535172 1052228058 /nfs/dbraw/zinc/22/80/58/1052228058.db2.gz XIMCJVHNZGRBHK-GGAORHGYSA-N 2 1 388.600 3.707 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001311748202 1052371689 /nfs/dbraw/zinc/37/16/89/1052371689.db2.gz ZQFBHRBTAHZHIS-VWNXMTODSA-N 2 1 394.563 3.562 20 0 GHADMP CC(C)c1ccc(CN2CCN(C(=O)NCC[N@@H+](C)C3CCCC3)CC2)cc1 ZINC001311919947 1052475924 /nfs/dbraw/zinc/47/59/24/1052475924.db2.gz DXLFPQNNQYSGHF-UHFFFAOYSA-N 2 1 386.584 3.512 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCC[N@H+](C)C3CCCC3)CC2)cc1 ZINC001311919947 1052475931 /nfs/dbraw/zinc/47/59/31/1052475931.db2.gz DXLFPQNNQYSGHF-UHFFFAOYSA-N 2 1 386.584 3.512 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCC[N@@H+](C)C3CCCC3)CC2)cc1 ZINC001311919947 1052475943 /nfs/dbraw/zinc/47/59/43/1052475943.db2.gz DXLFPQNNQYSGHF-UHFFFAOYSA-N 2 1 386.584 3.512 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001311992978 1052518746 /nfs/dbraw/zinc/51/87/46/1052518746.db2.gz AHJUSDBOZMRINE-KNQAVFIVSA-N 2 1 394.563 3.690 20 0 GHADMP CCC(CC)(CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH2+][C@H](C)c1ccccc1 ZINC001311995720 1052519950 /nfs/dbraw/zinc/51/99/50/1052519950.db2.gz YECZUCYCIQHSBP-HLAWJBBLSA-N 2 1 386.584 3.632 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC001312054323 1052549575 /nfs/dbraw/zinc/54/95/75/1052549575.db2.gz HTFQOWYSEVKEHV-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001312054323 1052549580 /nfs/dbraw/zinc/54/95/80/1052549580.db2.gz HTFQOWYSEVKEHV-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001312054323 1052549585 /nfs/dbraw/zinc/54/95/85/1052549585.db2.gz HTFQOWYSEVKEHV-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001312268785 1052670535 /nfs/dbraw/zinc/67/05/35/1052670535.db2.gz XIJOWVBVABFYKP-KEZQHZCBSA-N 2 1 388.600 3.876 20 0 GHADMP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC001312557501 1052789734 /nfs/dbraw/zinc/78/97/34/1052789734.db2.gz LFEPESKRNOUADG-YADHBBJMSA-N 2 1 388.600 3.516 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001312776806 1052866502 /nfs/dbraw/zinc/86/65/02/1052866502.db2.gz ZWPHUHSGFMNZQL-JOCHJYFZSA-N 2 1 386.584 3.606 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001312837194 1052888601 /nfs/dbraw/zinc/88/86/01/1052888601.db2.gz DUEHDPNDNMGYLP-NRFANRHFSA-N 2 1 398.595 3.515 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC001312994162 1052928723 /nfs/dbraw/zinc/92/87/23/1052928723.db2.gz IHHQFNDKKZRHAW-FQEVSTJZSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC001312994162 1052928724 /nfs/dbraw/zinc/92/87/24/1052928724.db2.gz IHHQFNDKKZRHAW-FQEVSTJZSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001343228773 1053634706 /nfs/dbraw/zinc/63/47/06/1053634706.db2.gz YNUQBDYTADTGIX-NKKJXINNSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)cc1)[NH+]1CCOCC1 ZINC001343423637 1053763708 /nfs/dbraw/zinc/76/37/08/1053763708.db2.gz MESWZNLVTSOUHE-GHTZIAJQSA-N 2 1 385.552 3.578 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001318690539 1054797957 /nfs/dbraw/zinc/79/79/57/1054797957.db2.gz KFVGOFAQNJSWSB-UHFFFAOYSA-N 2 1 385.474 3.516 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319201792 1055092431 /nfs/dbraw/zinc/09/24/31/1055092431.db2.gz WGVIOKJFZCOMLV-COXVUDFISA-N 2 1 387.446 3.765 20 0 GHADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001319288603 1055158451 /nfs/dbraw/zinc/15/84/51/1055158451.db2.gz CVYXWZAEDTUSCZ-NZQKXSOJSA-N 3 1 384.612 3.571 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc(OC(F)F)c1 ZINC001319392923 1055225064 /nfs/dbraw/zinc/22/50/64/1055225064.db2.gz GRMDOVCMLGNLEA-QGZVFWFLSA-N 2 1 389.490 3.886 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319657849 1055383115 /nfs/dbraw/zinc/38/31/15/1055383115.db2.gz ZECVXQMUTXQSKJ-QZTJIDSGSA-N 2 1 382.552 3.999 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319657849 1055383124 /nfs/dbraw/zinc/38/31/24/1055383124.db2.gz ZECVXQMUTXQSKJ-QZTJIDSGSA-N 2 1 382.552 3.999 20 0 GHADMP C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001319959011 1055563518 /nfs/dbraw/zinc/56/35/18/1055563518.db2.gz BNXHFXFPPCKOBR-CWKRKGSWSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1c(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001320025493 1055605445 /nfs/dbraw/zinc/60/54/45/1055605445.db2.gz ITMRBNDMXLCXNW-YLJYHZDGSA-N 2 1 376.504 3.673 20 0 GHADMP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001320309157 1055748547 /nfs/dbraw/zinc/74/85/47/1055748547.db2.gz SIYMXPFIMGRIMQ-YLJYHZDGSA-N 2 1 376.504 3.768 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCN(C)CC3)c1)CCS2 ZINC001320744024 1055946927 /nfs/dbraw/zinc/94/69/27/1055946927.db2.gz TYFSRQCRKPNYOU-QFIPXVFZSA-N 2 1 397.588 3.769 20 0 GHADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC001200704231 1056771073 /nfs/dbraw/zinc/77/10/73/1056771073.db2.gz RRPUJFYSUMALSH-VWNXMTODSA-N 2 1 382.548 3.756 20 0 GHADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC001200704231 1056771082 /nfs/dbraw/zinc/77/10/82/1056771082.db2.gz RRPUJFYSUMALSH-VWNXMTODSA-N 2 1 382.548 3.756 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(OC(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC001200821758 1056990052 /nfs/dbraw/zinc/99/00/52/1056990052.db2.gz QAJNWEHYFWSWLL-UHFFFAOYSA-N 2 1 380.414 3.751 20 0 GHADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001300786675 1057025772 /nfs/dbraw/zinc/02/57/72/1057025772.db2.gz XRAFQPNJTAHMEH-IFMALSPDSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C[NH+]1CC[C@@H](Cc2nccs2)C1)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC001355071479 1057040760 /nfs/dbraw/zinc/04/07/60/1057040760.db2.gz FMGCFOGDLHDJNW-ROUUACIJSA-N 2 1 390.622 3.665 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001324337978 1057115722 /nfs/dbraw/zinc/11/57/22/1057115722.db2.gz LCTROCFIIKZZCR-GLCCWIKHSA-N 2 1 398.595 3.746 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324337978 1057115725 /nfs/dbraw/zinc/11/57/25/1057115725.db2.gz LCTROCFIIKZZCR-GLCCWIKHSA-N 2 1 398.595 3.746 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324337978 1057115729 /nfs/dbraw/zinc/11/57/29/1057115729.db2.gz LCTROCFIIKZZCR-GLCCWIKHSA-N 2 1 398.595 3.746 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324579828 1057170123 /nfs/dbraw/zinc/17/01/23/1057170123.db2.gz FDTFTJYWDJNMBH-NOTZXAQLSA-N 2 1 383.580 3.954 20 0 GHADMP COc1ccc([C@@H](CNC(=[NH2+])NCc2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000849054974 1057564133 /nfs/dbraw/zinc/56/41/33/1057564133.db2.gz MVLQWICYEXBEEM-OAQYLSRUSA-N 2 1 396.535 3.545 20 0 GHADMP Cc1cc2c(CC(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)csc2s1 ZINC001356615985 1057573789 /nfs/dbraw/zinc/57/37/89/1057573789.db2.gz LIAPRXBATCSWKF-UHFFFAOYSA-N 2 1 386.546 3.599 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1cccc(OC)c1 ZINC000849081312 1057584870 /nfs/dbraw/zinc/58/48/70/1057584870.db2.gz RENKOQKPLHYRQW-LJQANCHMSA-N 2 1 376.451 3.993 20 0 GHADMP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC001441245046 1058736828 /nfs/dbraw/zinc/73/68/28/1058736828.db2.gz UPIRDZJSUWCUSM-FGZHOGPDSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001441245046 1058736846 /nfs/dbraw/zinc/73/68/46/1058736846.db2.gz UPIRDZJSUWCUSM-FGZHOGPDSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001441245046 1058736862 /nfs/dbraw/zinc/73/68/62/1058736862.db2.gz UPIRDZJSUWCUSM-FGZHOGPDSA-N 2 1 383.580 3.594 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001341113453 1060412889 /nfs/dbraw/zinc/41/28/89/1060412889.db2.gz VBJAOVTYBFWPCE-VXKWHMMOSA-N 2 1 398.526 3.522 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001341113453 1060412904 /nfs/dbraw/zinc/41/29/04/1060412904.db2.gz VBJAOVTYBFWPCE-VXKWHMMOSA-N 2 1 398.526 3.522 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC001341113453 1060412913 /nfs/dbraw/zinc/41/29/13/1060412913.db2.gz VBJAOVTYBFWPCE-VXKWHMMOSA-N 2 1 398.526 3.522 20 0 GHADMP CC[NH+](CC)CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1 ZINC001457208755 1063029868 /nfs/dbraw/zinc/02/98/68/1063029868.db2.gz YGALNRVQDFEMHW-DHIUTWEWSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ccccc1 ZINC001457208755 1063029886 /nfs/dbraw/zinc/02/98/86/1063029886.db2.gz YGALNRVQDFEMHW-DHIUTWEWSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1 ZINC001457208760 1063030016 /nfs/dbraw/zinc/03/00/16/1063030016.db2.gz YGALNRVQDFEMHW-XZOQPEGZSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ccccc1 ZINC001457208760 1063030040 /nfs/dbraw/zinc/03/00/40/1063030040.db2.gz YGALNRVQDFEMHW-XZOQPEGZSA-N 2 1 394.563 3.635 20 0 GHADMP C[NH+](C)[C@@H]1CCc2ccccc2N(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001437584666 1063902348 /nfs/dbraw/zinc/90/23/48/1063902348.db2.gz IDHIFLAFPACLFU-XZOQPEGZSA-N 2 1 391.559 3.808 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Nc3ccccc3Cl)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001459660024 1064157446 /nfs/dbraw/zinc/15/74/46/1064157446.db2.gz BAAQLNWZEKFMTF-HSZRJFAPSA-N 2 1 399.966 3.853 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Nc3ccccc3Cl)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001459660024 1064157449 /nfs/dbraw/zinc/15/74/49/1064157449.db2.gz BAAQLNWZEKFMTF-HSZRJFAPSA-N 2 1 399.966 3.853 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(Cl)c1 ZINC001459742398 1064196409 /nfs/dbraw/zinc/19/64/09/1064196409.db2.gz MZVWDVSTIGGIKR-VWPQPMDRSA-N 2 1 397.950 3.533 20 0 GHADMP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1cccc(Cl)c1 ZINC001459742398 1064196413 /nfs/dbraw/zinc/19/64/13/1064196413.db2.gz MZVWDVSTIGGIKR-VWPQPMDRSA-N 2 1 397.950 3.533 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCc2nccn2C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001459925834 1064277071 /nfs/dbraw/zinc/27/70/71/1064277071.db2.gz TULRLHBNIRPVKS-QUCCMNQESA-N 2 1 382.552 3.742 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001463694621 1064555391 /nfs/dbraw/zinc/55/53/91/1064555391.db2.gz TUFDSGUAIDLHIF-PKTZIBPZSA-N 2 1 379.548 3.769 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001464498799 1065046908 /nfs/dbraw/zinc/04/69/08/1065046908.db2.gz UQQAXVLVORRJCV-CRAIPNDOSA-N 2 1 385.474 3.546 20 0 GHADMP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)ccc1OC(C)C ZINC001200045946 1065066101 /nfs/dbraw/zinc/06/61/01/1065066101.db2.gz BMOOCNQLWWJLDN-UHFFFAOYSA-N 2 1 397.563 3.520 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001465484886 1065656705 /nfs/dbraw/zinc/65/67/05/1065656705.db2.gz RKBNKDSYZRYGFU-NFBKMPQASA-N 2 1 383.580 3.907 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001465484886 1065656714 /nfs/dbraw/zinc/65/67/14/1065656714.db2.gz RKBNKDSYZRYGFU-NFBKMPQASA-N 2 1 383.580 3.907 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001465484886 1065656727 /nfs/dbraw/zinc/65/67/27/1065656727.db2.gz RKBNKDSYZRYGFU-NFBKMPQASA-N 2 1 383.580 3.907 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001477577142 1078473732 /nfs/dbraw/zinc/47/37/32/1078473732.db2.gz XWFALCFKYKVTHV-YRPNKDGESA-N 2 1 388.600 3.781 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)C1 ZINC001467307998 1067215461 /nfs/dbraw/zinc/21/54/61/1067215461.db2.gz JTZGXGYBFLPUBP-SJLPKXTDSA-N 2 1 385.474 3.546 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001477615907 1078493420 /nfs/dbraw/zinc/49/34/20/1078493420.db2.gz ZNUKNXQHGWNHNX-RBBKRZOGSA-N 2 1 398.595 3.872 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001467628449 1067390560 /nfs/dbraw/zinc/39/05/60/1067390560.db2.gz ABEFPUFACLSSAJ-YLJYHZDGSA-N 2 1 394.991 3.897 20 0 GHADMP CCC(CC)[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC001467688200 1067421139 /nfs/dbraw/zinc/42/11/39/1067421139.db2.gz UQSRZMKKIKBIHQ-ZVDOUQERSA-N 2 1 380.621 3.554 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)c1 ZINC001477688625 1078526680 /nfs/dbraw/zinc/52/66/80/1078526680.db2.gz NKOISLCXLZLQBQ-QHCPKHFHSA-N 2 1 394.563 3.520 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)c1 ZINC001477688625 1078526685 /nfs/dbraw/zinc/52/66/85/1078526685.db2.gz NKOISLCXLZLQBQ-QHCPKHFHSA-N 2 1 394.563 3.520 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)c1 ZINC001477688625 1078526691 /nfs/dbraw/zinc/52/66/91/1078526691.db2.gz NKOISLCXLZLQBQ-QHCPKHFHSA-N 2 1 394.563 3.520 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC001467866842 1067506809 /nfs/dbraw/zinc/50/68/09/1067506809.db2.gz ZCIWGVBHPQZPOC-JOCHJYFZSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001467866842 1067506817 /nfs/dbraw/zinc/50/68/17/1067506817.db2.gz ZCIWGVBHPQZPOC-JOCHJYFZSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001467866842 1067506824 /nfs/dbraw/zinc/50/68/24/1067506824.db2.gz ZCIWGVBHPQZPOC-JOCHJYFZSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC001467867203 1067506872 /nfs/dbraw/zinc/50/68/72/1067506872.db2.gz DRDITUITBOIGGI-OALUTQOASA-N 2 1 388.600 3.694 20 0 GHADMP C[C@@H](CNC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC001468143011 1067609041 /nfs/dbraw/zinc/60/90/41/1067609041.db2.gz GKNWZVAXJBJDBY-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001468349854 1067697183 /nfs/dbraw/zinc/69/71/83/1067697183.db2.gz GZVSGUZQMZKLPU-NZQKXSOJSA-N 2 1 396.579 3.808 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC001468360293 1067702560 /nfs/dbraw/zinc/70/25/60/1067702560.db2.gz UJYDBVKQZPTDCP-VXKWHMMOSA-N 2 1 397.588 3.792 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001477865822 1078601383 /nfs/dbraw/zinc/60/13/83/1078601383.db2.gz ATQRGFRRCBPOPI-OALUTQOASA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001477865822 1078601388 /nfs/dbraw/zinc/60/13/88/1078601388.db2.gz ATQRGFRRCBPOPI-OALUTQOASA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001477865822 1078601390 /nfs/dbraw/zinc/60/13/90/1078601390.db2.gz ATQRGFRRCBPOPI-OALUTQOASA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCC1)c1ccccc1 ZINC001468829047 1067903070 /nfs/dbraw/zinc/90/30/70/1067903070.db2.gz BSAGLKNOJTXFLN-ICSRJNTNSA-N 2 1 386.584 3.822 20 0 GHADMP CCC(CC)(CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001468832121 1067904143 /nfs/dbraw/zinc/90/41/43/1067904143.db2.gz VLIYTNCNIRTLCE-VQTJNVASSA-N 2 1 388.600 3.927 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001468872860 1067914619 /nfs/dbraw/zinc/91/46/19/1067914619.db2.gz KBNLXNXDDJBMIS-BHDDXSALSA-N 2 1 384.568 3.530 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001468947555 1067935687 /nfs/dbraw/zinc/93/56/87/1067935687.db2.gz PYKRHOICTPGNCB-RBUKOAKNSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(CC[NH+](C)C)c1 ZINC001469753332 1068359610 /nfs/dbraw/zinc/35/96/10/1068359610.db2.gz NMLJKSQYLJGRLM-PCCBWWKXSA-N 2 1 393.575 3.914 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](CC)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC001478192458 1078760307 /nfs/dbraw/zinc/76/03/07/1078760307.db2.gz QZJBWHSBLAKWEH-PMACEKPBSA-N 2 1 394.991 3.897 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)C1 ZINC001460154683 1068818418 /nfs/dbraw/zinc/81/84/18/1068818418.db2.gz YOLGQWBCXSHYDL-MNRDOXJOSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)C1 ZINC001460154683 1068818427 /nfs/dbraw/zinc/81/84/27/1068818427.db2.gz YOLGQWBCXSHYDL-MNRDOXJOSA-N 2 1 391.600 3.972 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)C1 ZINC001460154683 1068818433 /nfs/dbraw/zinc/81/84/33/1068818433.db2.gz YOLGQWBCXSHYDL-MNRDOXJOSA-N 2 1 391.600 3.972 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)Cc3ccc(C)c(C)c3)cc2)CC1 ZINC001460243558 1068880876 /nfs/dbraw/zinc/88/08/76/1068880876.db2.gz ZUHIMCPZJWKFMG-UHFFFAOYSA-N 2 1 394.563 3.516 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(C)c(C)c3)cc2)CC1 ZINC001460243558 1068880892 /nfs/dbraw/zinc/88/08/92/1068880892.db2.gz ZUHIMCPZJWKFMG-UHFFFAOYSA-N 2 1 394.563 3.516 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001460627047 1069040501 /nfs/dbraw/zinc/04/05/01/1069040501.db2.gz NMCVKXSKHVPKGY-HXUWFJFHSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@@]12C[NH+](CCC(=O)Nc3ccccc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001460634850 1069044953 /nfs/dbraw/zinc/04/49/53/1069044953.db2.gz CVHPQWJIZJHDQE-ZEQRLZLVSA-N 2 1 377.532 3.859 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)[nH+]c1C ZINC001460784578 1069177186 /nfs/dbraw/zinc/17/71/86/1069177186.db2.gz GBJBANJYZKSWLH-KRWDZBQOSA-N 2 1 397.441 3.665 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC001478599909 1078930725 /nfs/dbraw/zinc/93/07/25/1078930725.db2.gz NIMITFBJXFALGN-OFNKIYASSA-N 2 1 394.563 3.514 20 0 GHADMP CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001478746402 1078973946 /nfs/dbraw/zinc/97/39/46/1078973946.db2.gz PAPQMRFORLQAQU-IFMALSPDSA-N 2 1 388.600 3.707 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]1C1CCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473144397 1073805191 /nfs/dbraw/zinc/80/51/91/1073805191.db2.gz KRKIIESORYXZGP-SFTDATJTSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1C1CCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473144397 1073805199 /nfs/dbraw/zinc/80/51/99/1073805199.db2.gz KRKIIESORYXZGP-SFTDATJTSA-N 2 1 389.971 3.858 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC001473357069 1073934155 /nfs/dbraw/zinc/93/41/55/1073934155.db2.gz CRLABDZIDQZAIF-KXTWHKPSSA-N 2 1 389.584 3.990 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc3ccc(C)s3)C1)O2 ZINC001473455918 1073973012 /nfs/dbraw/zinc/97/30/12/1073973012.db2.gz RMEOREGXODAGOQ-XLIONFOSSA-N 2 1 386.561 3.823 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc3ccc(C)s3)C1)O2 ZINC001473455918 1073973014 /nfs/dbraw/zinc/97/30/14/1073973014.db2.gz RMEOREGXODAGOQ-XLIONFOSSA-N 2 1 386.561 3.823 20 0 GHADMP C[C@]12C[NH+](CCC(=O)OCc3ccccc3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001473719095 1074105563 /nfs/dbraw/zinc/10/55/63/1074105563.db2.gz TZWJHLBCECDYJP-JWQCQUIFSA-N 2 1 392.543 3.964 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719496 1074106446 /nfs/dbraw/zinc/10/64/46/1074106446.db2.gz XJJTYYQJGNVABA-KOVSNXQUSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719496 1074106449 /nfs/dbraw/zinc/10/64/49/1074106449.db2.gz XJJTYYQJGNVABA-KOVSNXQUSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719496 1074106451 /nfs/dbraw/zinc/10/64/51/1074106451.db2.gz XJJTYYQJGNVABA-KOVSNXQUSA-N 2 1 384.564 3.810 20 0 GHADMP COC(=O)[C@@H]1CCCC[C@@H]1C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001473719496 1074106453 /nfs/dbraw/zinc/10/64/53/1074106453.db2.gz XJJTYYQJGNVABA-KOVSNXQUSA-N 2 1 384.564 3.810 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC001474084412 1074258206 /nfs/dbraw/zinc/25/82/06/1074258206.db2.gz JOHXEIXQDYDVTI-LJQANCHMSA-N 2 1 394.437 3.832 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1sccc1Br ZINC001474084884 1074258902 /nfs/dbraw/zinc/25/89/02/1074258902.db2.gz XWTCXSVLGHDUOQ-MRXNPFEDSA-N 2 1 395.366 3.757 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1sccc1Br ZINC001474084884 1074258909 /nfs/dbraw/zinc/25/89/09/1074258909.db2.gz XWTCXSVLGHDUOQ-MRXNPFEDSA-N 2 1 395.366 3.757 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(NC(=O)OC(C)(C)C)CC1 ZINC001474282036 1074324461 /nfs/dbraw/zinc/32/44/61/1074324461.db2.gz JKIMIILABHZBKA-UHFFFAOYSA-N 2 1 375.557 3.792 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n(C)c1C ZINC001474294870 1074329310 /nfs/dbraw/zinc/32/93/10/1074329310.db2.gz WQXSNHGNCBLMAW-QHAWAJNXSA-N 2 1 395.547 3.510 20 0 GHADMP COC(=O)c1[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C ZINC001474373976 1074371135 /nfs/dbraw/zinc/37/11/35/1074371135.db2.gz IRHOQALTFWUYIS-UHFFFAOYSA-N 2 1 381.520 3.598 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001474500261 1074433760 /nfs/dbraw/zinc/43/37/60/1074433760.db2.gz GDUZMXCIXYZPEZ-NFBKMPQASA-N 2 1 387.568 3.827 20 0 GHADMP C[C@H]1C[N@@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001474686373 1074515148 /nfs/dbraw/zinc/51/51/48/1074515148.db2.gz UFSSHTQZVSEVAO-PGRDOPGGSA-N 2 1 388.556 3.629 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC001476122561 1075088713 /nfs/dbraw/zinc/08/87/13/1075088713.db2.gz UILDPFKENKMELN-LBPRGKRZSA-N 2 1 394.869 3.752 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC001476122561 1075088717 /nfs/dbraw/zinc/08/87/17/1075088717.db2.gz UILDPFKENKMELN-LBPRGKRZSA-N 2 1 394.869 3.752 20 0 GHADMP CC[N@H+]1C[C@@]2(C[C@@H]([NH2+]Cc3cnc(-c4cccs4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550424102 1126207150 /nfs/dbraw/zinc/20/71/50/1126207150.db2.gz XZVGCDULBPEMIA-JMVFIXPQSA-N 2 1 391.606 3.831 20 0 GHADMP c1ccc2c(c1)CO[C@@]21CCN(CCC[N@H+]2CC[C@]3(C2)OCc2ccccc23)C1 ZINC000186634402 570943457 /nfs/dbraw/zinc/94/34/57/570943457.db2.gz NTPLBOVQMJSJBJ-JWQCQUIFSA-N 2 1 390.527 3.639 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419658 599380138 /nfs/dbraw/zinc/38/01/38/599380138.db2.gz JAQFLNZRGWCDCD-POZUXBRTSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419658 599380141 /nfs/dbraw/zinc/38/01/41/599380141.db2.gz JAQFLNZRGWCDCD-POZUXBRTSA-N 2 1 382.537 3.662 20 0 GHADMP Cc1nc(C2CCCCC2)cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679473 719637203 /nfs/dbraw/zinc/63/72/03/719637203.db2.gz BUCANGMSTMMZJV-UHFFFAOYSA-N 2 1 382.556 3.504 20 0 GHADMP Cc1nc(C2CCCCC2)cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679473 719637208 /nfs/dbraw/zinc/63/72/08/719637208.db2.gz BUCANGMSTMMZJV-UHFFFAOYSA-N 2 1 382.556 3.504 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)C[N@H+]1Cc1ccccc1 ZINC000414364816 837391018 /nfs/dbraw/zinc/39/10/18/837391018.db2.gz JQDPYYIFOWIHGL-WMZOPIPTSA-N 2 1 392.590 3.542 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1C ZINC000613537256 837454742 /nfs/dbraw/zinc/45/47/42/837454742.db2.gz INTDZUVDMUXKDD-IRXDYDNUSA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1C ZINC000613537256 837454748 /nfs/dbraw/zinc/45/47/48/837454748.db2.gz INTDZUVDMUXKDD-IRXDYDNUSA-N 2 1 385.581 3.943 20 0 GHADMP C[C@H](NC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000510284932 837693685 /nfs/dbraw/zinc/69/36/85/837693685.db2.gz BBQCIROCIUTJBV-DYXWJJEUSA-N 2 1 388.600 3.563 20 0 GHADMP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655725243 837746677 /nfs/dbraw/zinc/74/66/77/837746677.db2.gz PKFMPAXZUXOXJH-HKUYNNGSSA-N 2 1 378.582 3.656 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613364641 837761113 /nfs/dbraw/zinc/76/11/13/837761113.db2.gz WOLHUOAPCGIDCM-QHCPKHFHSA-N 2 1 395.522 3.875 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000613364641 837761120 /nfs/dbraw/zinc/76/11/20/837761120.db2.gz WOLHUOAPCGIDCM-QHCPKHFHSA-N 2 1 395.522 3.875 20 0 GHADMP CC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Oc1ccccc1C(F)(F)F ZINC000655731569 837765432 /nfs/dbraw/zinc/76/54/32/837765432.db2.gz SQXUOSJBSIYLHT-DLBZAZTESA-N 2 1 386.458 3.706 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654730409 834450676 /nfs/dbraw/zinc/45/06/76/834450676.db2.gz QJNWCNUXJHZPJM-DNVJHFABSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654730409 834450680 /nfs/dbraw/zinc/45/06/80/834450680.db2.gz QJNWCNUXJHZPJM-DNVJHFABSA-N 2 1 398.595 3.557 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654730409 834450687 /nfs/dbraw/zinc/45/06/87/834450687.db2.gz QJNWCNUXJHZPJM-DNVJHFABSA-N 2 1 398.595 3.557 20 0 GHADMP Clc1ccc(C[C@@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655736180 837776658 /nfs/dbraw/zinc/77/66/58/837776658.db2.gz NPFFTHQLCATHIO-IFMALSPDSA-N 2 1 385.939 3.862 20 0 GHADMP CCCN(C(=O)N[C@@H](C)C1=CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511252429 834520739 /nfs/dbraw/zinc/52/07/39/834520739.db2.gz LEHGFZNAXNEJEF-NZQKXSOJSA-N 2 1 398.595 3.723 20 0 GHADMP CCCN(C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511252429 834520742 /nfs/dbraw/zinc/52/07/42/834520742.db2.gz LEHGFZNAXNEJEF-NZQKXSOJSA-N 2 1 398.595 3.723 20 0 GHADMP CCCN(C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511252429 834520745 /nfs/dbraw/zinc/52/07/45/834520745.db2.gz LEHGFZNAXNEJEF-NZQKXSOJSA-N 2 1 398.595 3.723 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-n4cnc5ccccc54)cc3)C2)C1 ZINC000650706414 834537384 /nfs/dbraw/zinc/53/73/84/834537384.db2.gz JUIABRFYLMRDPH-YOSAUDMPSA-N 2 1 390.531 3.744 20 0 GHADMP CCCCCOc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OC ZINC000650708371 834550809 /nfs/dbraw/zinc/55/08/09/834550809.db2.gz YUXQFPJLOQVSOM-JAXLGGSGSA-N 2 1 390.568 3.983 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCCc3cnccc3C)CC2)c1C ZINC000583532578 834586991 /nfs/dbraw/zinc/58/69/91/834586991.db2.gz HXDTWFYXZBYYEA-UHFFFAOYSA-N 2 1 396.579 3.939 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCCc3cnccc3C)CC2)c1C ZINC000583532578 834586998 /nfs/dbraw/zinc/58/69/98/834586998.db2.gz HXDTWFYXZBYYEA-UHFFFAOYSA-N 2 1 396.579 3.939 20 0 GHADMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccs1 ZINC000647334805 834597189 /nfs/dbraw/zinc/59/71/89/834597189.db2.gz SGDJIBHXGICENC-LMNJBCLMSA-N 2 1 385.577 3.643 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643545728 834656796 /nfs/dbraw/zinc/65/67/96/834656796.db2.gz BIERRELMBKCVRO-AEFFLSMTSA-N 2 1 376.566 3.728 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1OC(F)F ZINC000650722379 834689570 /nfs/dbraw/zinc/68/95/70/834689570.db2.gz RFDAFSMOAHARGT-LZLYRXPVSA-N 2 1 384.467 3.548 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)C1 ZINC000650722382 834689841 /nfs/dbraw/zinc/68/98/41/834689841.db2.gz RIHKBSJSZKTBSV-PTUXOGIPSA-N 2 1 381.520 3.521 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000650723745 834704829 /nfs/dbraw/zinc/70/48/29/834704829.db2.gz STTDGYPSOFNXQH-HFTRVMKXSA-N 2 1 390.421 3.628 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000728570432 834746234 /nfs/dbraw/zinc/74/62/34/834746234.db2.gz KSSPKKHQBJFCOM-HSZRJFAPSA-N 2 1 398.547 3.581 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000139925058 834767894 /nfs/dbraw/zinc/76/78/94/834767894.db2.gz MJEHWDZZIVVYIC-UNMCSNQZSA-N 2 1 397.588 3.741 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000139925058 834767903 /nfs/dbraw/zinc/76/79/03/834767903.db2.gz MJEHWDZZIVVYIC-UNMCSNQZSA-N 2 1 397.588 3.741 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000139925058 834767909 /nfs/dbraw/zinc/76/79/09/834767909.db2.gz MJEHWDZZIVVYIC-UNMCSNQZSA-N 2 1 397.588 3.741 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)CC1 ZINC000728572270 834772300 /nfs/dbraw/zinc/77/23/00/834772300.db2.gz WDHSVLJSNVORAY-IBGZPJMESA-N 2 1 386.584 3.666 20 0 GHADMP Cc1c2occ(CC(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2ccc1Cl ZINC001125287053 834953333 /nfs/dbraw/zinc/95/33/33/834953333.db2.gz FNDJFKULLXDEGJ-UHFFFAOYSA-N 2 1 398.894 3.723 20 0 GHADMP C[N@@H+](Cc1ccc(-c2c(F)cccc2F)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457850 835021742 /nfs/dbraw/zinc/02/17/42/835021742.db2.gz PYTOORGUSDJYMW-KRWDZBQOSA-N 2 1 389.490 3.825 20 0 GHADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000685458007 835023692 /nfs/dbraw/zinc/02/36/92/835023692.db2.gz XESDJOICKDRGIR-UZLBHIALSA-N 2 1 394.401 3.653 20 0 GHADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000685458005 835023751 /nfs/dbraw/zinc/02/37/51/835023751.db2.gz XESDJOICKDRGIR-OXJNMPFZSA-N 2 1 394.401 3.653 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+](C)[C@@H]4CC[N@@H+](C)C[C@@H]4C)cc3)nc12 ZINC000685470409 835033225 /nfs/dbraw/zinc/03/32/25/835033225.db2.gz MQUIAQIRRWBTEK-WMZHIEFXSA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+](C)[C@@H]4CC[N@H+](C)C[C@@H]4C)cc3)nc12 ZINC000685470409 835033232 /nfs/dbraw/zinc/03/32/32/835033232.db2.gz MQUIAQIRRWBTEK-WMZHIEFXSA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@@H]4CC[NH+](C)C[C@@H]4C)cc3)nc12 ZINC000685470409 835033243 /nfs/dbraw/zinc/03/32/43/835033243.db2.gz MQUIAQIRRWBTEK-WMZHIEFXSA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@@H]4CC[NH+](C)C[C@@H]4C)cc3)nc12 ZINC000685470409 835033254 /nfs/dbraw/zinc/03/32/54/835033254.db2.gz MQUIAQIRRWBTEK-WMZHIEFXSA-N 2 1 392.547 3.994 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000382411103 835040912 /nfs/dbraw/zinc/04/09/12/835040912.db2.gz DRZJBCMFFLEWRB-PZJWPPBQSA-N 2 1 387.568 3.934 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728195869 835093678 /nfs/dbraw/zinc/09/36/78/835093678.db2.gz IXWAWERXAXKMFK-NRFANRHFSA-N 2 1 383.511 3.683 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000728195869 835093682 /nfs/dbraw/zinc/09/36/82/835093682.db2.gz IXWAWERXAXKMFK-NRFANRHFSA-N 2 1 383.511 3.683 20 0 GHADMP C(=C/C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)\C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604274 835212726 /nfs/dbraw/zinc/21/27/26/835212726.db2.gz HWUNMYGGFKZMPW-DXVOJMDESA-N 2 1 386.580 3.610 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc(OC)c1OC ZINC000472347699 835264843 /nfs/dbraw/zinc/26/48/43/835264843.db2.gz PSWMOXZHSYICGW-RTWAWAEBSA-N 2 1 398.547 3.885 20 0 GHADMP COC[C@]1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)OCCc2ccccc21 ZINC000685655629 835269195 /nfs/dbraw/zinc/26/91/95/835269195.db2.gz BVDKAVZWEQYBNP-ZWSUVBHBSA-N 2 1 394.559 3.601 20 0 GHADMP C[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000624642768 835270477 /nfs/dbraw/zinc/27/04/77/835270477.db2.gz AYMNLDXVHRCABW-IBGZPJMESA-N 2 1 379.548 3.779 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000431622189 835319238 /nfs/dbraw/zinc/31/92/38/835319238.db2.gz OXQFSZSSFAEMPM-UHFFFAOYSA-N 2 1 394.648 3.898 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000433348001 844041140 /nfs/dbraw/zinc/04/11/40/844041140.db2.gz RDUDKMHWDHFHHY-NHYNNZIHSA-N 2 1 391.559 3.991 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)C[N@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000510117671 835381955 /nfs/dbraw/zinc/38/19/55/835381955.db2.gz JDMCEDLVNMLAFF-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)C[N@@H+](C)Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000510117671 835381966 /nfs/dbraw/zinc/38/19/66/835381966.db2.gz JDMCEDLVNMLAFF-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000510117671 835381975 /nfs/dbraw/zinc/38/19/75/835381975.db2.gz JDMCEDLVNMLAFF-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)C[NH+](C)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000510117671 835381984 /nfs/dbraw/zinc/38/19/84/835381984.db2.gz JDMCEDLVNMLAFF-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCCS2 ZINC000658142581 835453526 /nfs/dbraw/zinc/45/35/26/835453526.db2.gz YOYWOPNNEPNSAY-SIKLNZKXSA-N 2 1 398.572 3.979 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CC2)c(F)c1 ZINC000658141067 835467256 /nfs/dbraw/zinc/46/72/56/835467256.db2.gz VZUHYJZZVYOUFW-AUSIDOKSSA-N 2 1 384.495 3.642 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC(C)(C)C(C)(C)C ZINC000458791232 835554653 /nfs/dbraw/zinc/55/46/53/835554653.db2.gz JLAVAESMNWDKRG-UHFFFAOYSA-N 2 1 394.648 3.896 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNC3CC[NH+](C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315695 835570650 /nfs/dbraw/zinc/57/06/50/835570650.db2.gz ABEMWGZMHAKKRB-VWNXMTODSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315695 835570655 /nfs/dbraw/zinc/57/06/55/835570655.db2.gz ABEMWGZMHAKKRB-VWNXMTODSA-N 2 1 397.607 3.522 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C3(CCC3)C2)cc1 ZINC000658315695 835570657 /nfs/dbraw/zinc/57/06/57/835570657.db2.gz ABEMWGZMHAKKRB-VWNXMTODSA-N 2 1 397.607 3.522 20 0 GHADMP Cc1cccc(NC2CC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001167685362 835576363 /nfs/dbraw/zinc/57/63/63/835576363.db2.gz JJEHIXRRDCDEOS-DEOSSOPVSA-N 2 1 379.548 3.508 20 0 GHADMP Cc1cccc(NC2CC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001167685362 835576378 /nfs/dbraw/zinc/57/63/78/835576378.db2.gz JJEHIXRRDCDEOS-DEOSSOPVSA-N 2 1 379.548 3.508 20 0 GHADMP c1cc2c(s1)C1(CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC1)OCC2 ZINC000420929928 835581434 /nfs/dbraw/zinc/58/14/34/835581434.db2.gz DYVFQUMNJQHLMT-UHFFFAOYSA-N 2 1 398.572 3.644 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000472366660 835658121 /nfs/dbraw/zinc/65/81/21/835658121.db2.gz GFYNFLIJXKDTRR-OALUTQOASA-N 2 1 380.458 3.618 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000179394851 835677567 /nfs/dbraw/zinc/67/75/67/835677567.db2.gz RICSCSXEERKYNN-JOCHJYFZSA-N 2 1 394.519 3.645 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cc2cnccc2o1 ZINC000657832820 835734368 /nfs/dbraw/zinc/73/43/68/835734368.db2.gz CGQXQAXZASKGOE-GHTZIAJQSA-N 2 1 378.520 3.857 20 0 GHADMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nnn1Cc1ccccc1 ZINC000892470638 835833296 /nfs/dbraw/zinc/83/32/96/835833296.db2.gz WKRCWWRQNIOEMU-UHFFFAOYSA-N 2 1 375.520 3.602 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208999704 835835532 /nfs/dbraw/zinc/83/55/32/835835532.db2.gz RRRMNFMCDHRJIF-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208999704 835835537 /nfs/dbraw/zinc/83/55/37/835835537.db2.gz RRRMNFMCDHRJIF-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208999704 835835543 /nfs/dbraw/zinc/83/55/43/835835543.db2.gz RRRMNFMCDHRJIF-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208999704 835835545 /nfs/dbraw/zinc/83/55/45/835835545.db2.gz RRRMNFMCDHRJIF-NFBKMPQASA-N 2 1 385.552 3.594 20 0 GHADMP C[C@@]1(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[N@H+]1Cc1ccccc1 ZINC000584339847 835888067 /nfs/dbraw/zinc/88/80/67/835888067.db2.gz ZPGGXRHKZDLNPI-QHCPKHFHSA-N 2 1 396.510 3.648 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)c1 ZINC000154705323 835944735 /nfs/dbraw/zinc/94/47/35/835944735.db2.gz ORLBEZVRHLIEFQ-NRFANRHFSA-N 2 1 396.535 3.637 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000154705323 835944741 /nfs/dbraw/zinc/94/47/41/835944741.db2.gz ORLBEZVRHLIEFQ-NRFANRHFSA-N 2 1 396.535 3.637 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569867293 836092733 /nfs/dbraw/zinc/09/27/33/836092733.db2.gz DYUFFIRKRXQDIA-FDFHNCONSA-N 2 1 381.564 3.707 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569867293 836092739 /nfs/dbraw/zinc/09/27/39/836092739.db2.gz DYUFFIRKRXQDIA-FDFHNCONSA-N 2 1 381.564 3.707 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481426 844131437 /nfs/dbraw/zinc/13/14/37/844131437.db2.gz FATUSADZLLHWGV-YSIASYRMSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481426 844131438 /nfs/dbraw/zinc/13/14/38/844131438.db2.gz FATUSADZLLHWGV-YSIASYRMSA-N 2 1 397.950 3.946 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CCC[C@H]([C@H](C)[NH3+])C4)cc3)nc12 ZINC000569926905 836172985 /nfs/dbraw/zinc/17/29/85/836172985.db2.gz HPQLUIWRKRRAKU-ICSRJNTNSA-N 2 1 378.520 3.781 20 0 GHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000109675427 836464411 /nfs/dbraw/zinc/46/44/11/836464411.db2.gz UFDJAIBHIJXAKF-OAQYLSRUSA-N 2 1 380.536 3.907 20 0 GHADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000109675427 836464421 /nfs/dbraw/zinc/46/44/21/836464421.db2.gz UFDJAIBHIJXAKF-OAQYLSRUSA-N 2 1 380.536 3.907 20 0 GHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332826047 836699228 /nfs/dbraw/zinc/69/92/28/836699228.db2.gz JLVBKMWVERWWIK-GGPKGHCWSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332826047 836699235 /nfs/dbraw/zinc/69/92/35/836699235.db2.gz JLVBKMWVERWWIK-GGPKGHCWSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000175296275 836746294 /nfs/dbraw/zinc/74/62/94/836746294.db2.gz REYSJUHGNWTOSB-OIBXWCBGSA-N 2 1 394.563 3.642 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000414272977 836859316 /nfs/dbraw/zinc/85/93/16/836859316.db2.gz SLQPNFVZRLYFSC-IHLLOCCUSA-N 2 1 395.547 3.833 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000414272977 836859323 /nfs/dbraw/zinc/85/93/23/836859323.db2.gz SLQPNFVZRLYFSC-IHLLOCCUSA-N 2 1 395.547 3.833 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000275359136 836882251 /nfs/dbraw/zinc/88/22/51/836882251.db2.gz ASIXIKVGHWPXGR-ZYSHUDEJSA-N 2 1 382.508 3.746 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CCCC23CC[NH+](C)CC3)C[N@H+]1Cc1ccccc1 ZINC000510955587 844246940 /nfs/dbraw/zinc/24/69/40/844246940.db2.gz YPAMTTUNYONQOA-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)N(C)CC(C)(C)[NH3+])cc1)C[C@H]1CCCCO1 ZINC000659006545 837223517 /nfs/dbraw/zinc/22/35/17/837223517.db2.gz DWOQFBVQZCKLBX-HXUWFJFHSA-N 2 1 390.572 3.667 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000659024402 837285145 /nfs/dbraw/zinc/28/51/45/837285145.db2.gz BSESESIXZVHTSE-OAQYLSRUSA-N 2 1 392.547 3.878 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000051230890 837939283 /nfs/dbraw/zinc/93/92/83/837939283.db2.gz MJBDYDISEONILD-NRFANRHFSA-N 2 1 397.588 3.974 20 0 GHADMP COC(=O)CN(CCCn1cc[nH+]c1C)CCc1ccc(Cl)cc1Cl ZINC000535668912 844288774 /nfs/dbraw/zinc/28/87/74/844288774.db2.gz PVWOKHAWPWJSTE-UHFFFAOYSA-N 2 1 384.307 3.606 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC1CCCCCC1 ZINC000431855307 838206492 /nfs/dbraw/zinc/20/64/92/838206492.db2.gz AUJUDXFERVHUHD-UHFFFAOYSA-N 2 1 378.605 3.547 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659285339 838210015 /nfs/dbraw/zinc/21/00/15/838210015.db2.gz MKMVVGNTFRHPJH-OFNKIYASSA-N 2 1 377.532 3.592 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659288571 838221276 /nfs/dbraw/zinc/22/12/76/838221276.db2.gz JXKOWGLMOPPWJJ-IHLLOCCUSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000584518153 838241211 /nfs/dbraw/zinc/24/12/11/838241211.db2.gz SGPWQRRAAJQGKU-OXQOHEQNSA-N 2 1 396.510 3.504 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000584518151 838241385 /nfs/dbraw/zinc/24/13/85/838241385.db2.gz SGPWQRRAAJQGKU-JXFKEZNVSA-N 2 1 396.510 3.504 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415913174 838270171 /nfs/dbraw/zinc/27/01/71/838270171.db2.gz AICBVSGTGSDKDM-RBUKOAKNSA-N 2 1 380.536 3.923 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000415934474 838283374 /nfs/dbraw/zinc/28/33/74/838283374.db2.gz HXGRIYSQDUCLHT-SFHVURJKSA-N 2 1 396.535 3.720 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000415957567 838310656 /nfs/dbraw/zinc/31/06/56/838310656.db2.gz PTPPADVYLKYZCZ-LJQANCHMSA-N 2 1 380.536 3.924 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415967405 838327051 /nfs/dbraw/zinc/32/70/51/838327051.db2.gz HXAAPOGXUJOABR-AWEZNQCLSA-N 2 1 386.462 3.940 20 0 GHADMP COC(=O)c1ccc(F)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000182049739 838328308 /nfs/dbraw/zinc/32/83/08/838328308.db2.gz IZHFPEGVQWYAFR-UHFFFAOYSA-N 2 1 385.483 3.746 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415960297 838329165 /nfs/dbraw/zinc/32/91/65/838329165.db2.gz UYJJAVGHJPWYFT-NQIIRXRSSA-N 2 1 380.536 3.828 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000415974449 838332165 /nfs/dbraw/zinc/33/21/65/838332165.db2.gz LHSHCKXPHKMZNV-GOSISDBHSA-N 2 1 392.425 3.560 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CC1 ZINC000415968256 838334903 /nfs/dbraw/zinc/33/49/03/838334903.db2.gz DXGJRICVADCULM-OAQYLSRUSA-N 2 1 396.510 3.504 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000415974869 838351784 /nfs/dbraw/zinc/35/17/84/838351784.db2.gz RVYCFIIQRVLRIZ-GCJKJVERSA-N 2 1 380.536 3.923 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996723 838384443 /nfs/dbraw/zinc/38/44/43/838384443.db2.gz NMXBANMCODGJKD-UHFFFAOYSA-N 2 1 390.487 3.837 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996723 838384448 /nfs/dbraw/zinc/38/44/48/838384448.db2.gz NMXBANMCODGJKD-UHFFFAOYSA-N 2 1 390.487 3.837 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNCc3nc4ccccc4o3)C3(C2)CCOCC3)cc1 ZINC000639210830 838392246 /nfs/dbraw/zinc/39/22/46/838392246.db2.gz NIBUVTDGHMQJQH-HXUWFJFHSA-N 2 1 391.515 3.846 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000659466143 838424275 /nfs/dbraw/zinc/42/42/75/838424275.db2.gz FWVFJFQNBDMIEY-DYESRHJHSA-N 2 1 395.551 3.663 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000045806845 838877110 /nfs/dbraw/zinc/87/71/10/838877110.db2.gz HHVHAASVEJEBPP-UHFFFAOYSA-N 2 1 398.595 3.813 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974121 839024995 /nfs/dbraw/zinc/02/49/95/839024995.db2.gz YMBANQQBUZAJHU-VXKWHMMOSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974121 839025003 /nfs/dbraw/zinc/02/50/03/839025003.db2.gz YMBANQQBUZAJHU-VXKWHMMOSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974121 839025014 /nfs/dbraw/zinc/02/50/14/839025014.db2.gz YMBANQQBUZAJHU-VXKWHMMOSA-N 2 1 385.596 3.725 20 0 GHADMP CSc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000613644372 839051963 /nfs/dbraw/zinc/05/19/63/839051963.db2.gz AQFMCIGVSZCDRO-UHFFFAOYSA-N 2 1 375.582 3.935 20 0 GHADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(C)(C)C[NH+](C)C ZINC000511546044 839058671 /nfs/dbraw/zinc/05/86/71/839058671.db2.gz FAZONGHIJQPSSU-ICSRJNTNSA-N 2 1 388.600 3.563 20 0 GHADMP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000892778292 839071974 /nfs/dbraw/zinc/07/19/74/839071974.db2.gz JOBBLYMIMOQAGJ-VYTWWXLVSA-N 2 1 398.595 3.999 20 0 GHADMP CCCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000892778292 839071980 /nfs/dbraw/zinc/07/19/80/839071980.db2.gz JOBBLYMIMOQAGJ-VYTWWXLVSA-N 2 1 398.595 3.999 20 0 GHADMP Brc1ccccc1-c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)s1 ZINC000415040948 839105427 /nfs/dbraw/zinc/10/54/27/839105427.db2.gz OVDFOGLZZMZAEF-ZDUSSCGKSA-N 2 1 381.339 3.646 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000472684370 839125734 /nfs/dbraw/zinc/12/57/34/839125734.db2.gz IQOXTUNULASJNK-XLIONFOSSA-N 2 1 375.944 3.962 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc(Br)c3)s2)CCCO1 ZINC000415101812 839207163 /nfs/dbraw/zinc/20/71/63/839207163.db2.gz CUIPCBUFMLYHMJ-HNNXBMFYSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3cccc(Br)c3)s2)CCCO1 ZINC000415101812 839207173 /nfs/dbraw/zinc/20/71/73/839207173.db2.gz CUIPCBUFMLYHMJ-HNNXBMFYSA-N 2 1 381.339 3.727 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCCO1 ZINC000415112952 839223367 /nfs/dbraw/zinc/22/33/67/839223367.db2.gz TVCXATLFPPRNPG-NRFANRHFSA-N 2 1 396.922 3.742 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCCO1 ZINC000415112952 839223379 /nfs/dbraw/zinc/22/33/79/839223379.db2.gz TVCXATLFPPRNPG-NRFANRHFSA-N 2 1 396.922 3.742 20 0 GHADMP C[C@@H](c1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000415189899 839361736 /nfs/dbraw/zinc/36/17/36/839361736.db2.gz WSFWIGJNCXBMRZ-PGRDOPGGSA-N 2 1 396.535 3.682 20 0 GHADMP C[C@H](c1ccc(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000415189902 839362292 /nfs/dbraw/zinc/36/22/92/839362292.db2.gz WSFWIGJNCXBMRZ-XMSQKQJNSA-N 2 1 396.535 3.682 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C(F)(F)F)c1 ZINC000510326730 839509697 /nfs/dbraw/zinc/50/96/97/839509697.db2.gz YEEZWLHZKHOBEE-FHWLQOOXSA-N 2 1 397.485 3.831 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C(F)(F)F)c1 ZINC000510326730 839509703 /nfs/dbraw/zinc/50/97/03/839509703.db2.gz YEEZWLHZKHOBEE-FHWLQOOXSA-N 2 1 397.485 3.831 20 0 GHADMP CCC[N@@H+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580585635 839850277 /nfs/dbraw/zinc/85/02/77/839850277.db2.gz RVHHAORNAHWKRC-ZJVRTDGDSA-N 2 1 377.960 3.712 20 0 GHADMP CCC[NH+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580585635 839850282 /nfs/dbraw/zinc/85/02/82/839850282.db2.gz RVHHAORNAHWKRC-ZJVRTDGDSA-N 2 1 377.960 3.712 20 0 GHADMP CCC[NH+](C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580585635 839850287 /nfs/dbraw/zinc/85/02/87/839850287.db2.gz RVHHAORNAHWKRC-ZJVRTDGDSA-N 2 1 377.960 3.712 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512550737 844503354 /nfs/dbraw/zinc/50/33/54/844503354.db2.gz LQQLTFAXLYYZIN-FPOVZHCZSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512550737 844503360 /nfs/dbraw/zinc/50/33/60/844503360.db2.gz LQQLTFAXLYYZIN-FPOVZHCZSA-N 2 1 382.552 3.814 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000512553837 844511498 /nfs/dbraw/zinc/51/14/98/844511498.db2.gz AQCWSVUPNPMHLT-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000512553837 844511504 /nfs/dbraw/zinc/51/15/04/844511504.db2.gz AQCWSVUPNPMHLT-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000512553837 844511511 /nfs/dbraw/zinc/51/15/11/844511511.db2.gz AQCWSVUPNPMHLT-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512553837 844511516 /nfs/dbraw/zinc/51/15/16/844511516.db2.gz AQCWSVUPNPMHLT-HUVFLSCGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000580789810 840189885 /nfs/dbraw/zinc/18/98/85/840189885.db2.gz HNHZTOVEVWLXDZ-SFHVURJKSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000580789810 840189890 /nfs/dbraw/zinc/18/98/90/840189890.db2.gz HNHZTOVEVWLXDZ-SFHVURJKSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000580789810 840189896 /nfs/dbraw/zinc/18/98/96/840189896.db2.gz HNHZTOVEVWLXDZ-SFHVURJKSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000580789810 840189900 /nfs/dbraw/zinc/18/99/00/840189900.db2.gz HNHZTOVEVWLXDZ-SFHVURJKSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000580789810 840189909 /nfs/dbraw/zinc/18/99/09/840189909.db2.gz HNHZTOVEVWLXDZ-SFHVURJKSA-N 2 1 377.960 3.639 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000512553835 844512358 /nfs/dbraw/zinc/51/23/58/844512358.db2.gz AQCWSVUPNPMHLT-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[NH+]1Cc1ccccc1 ZINC000512553835 844512365 /nfs/dbraw/zinc/51/23/65/844512365.db2.gz AQCWSVUPNPMHLT-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000512553835 844512372 /nfs/dbraw/zinc/51/23/72/844512372.db2.gz AQCWSVUPNPMHLT-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512553835 844512379 /nfs/dbraw/zinc/51/23/79/844512379.db2.gz AQCWSVUPNPMHLT-AGILITTLSA-N 2 1 391.559 3.678 20 0 GHADMP CN(C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000759856742 840221814 /nfs/dbraw/zinc/22/18/14/840221814.db2.gz ZHUWAWMTURTSCW-OAQYLSRUSA-N 2 1 391.918 3.546 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500141 840327511 /nfs/dbraw/zinc/32/75/11/840327511.db2.gz NXSXGVLLPNTJBY-JOCHJYFZSA-N 2 1 394.519 3.596 20 0 GHADMP C[C@@H]1C[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[N@H+]1Cc1ccccc1 ZINC000390712895 840373939 /nfs/dbraw/zinc/37/39/39/840373939.db2.gz XHFLRZREVRZWGR-ZODMCCGTSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[NH+]1Cc1ccccc1 ZINC000390712895 840373951 /nfs/dbraw/zinc/37/39/51/840373951.db2.gz XHFLRZREVRZWGR-ZODMCCGTSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[NH+]1Cc1ccccc1 ZINC000390712895 840373960 /nfs/dbraw/zinc/37/39/60/840373960.db2.gz XHFLRZREVRZWGR-ZODMCCGTSA-N 2 1 393.575 3.530 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000431926260 840515908 /nfs/dbraw/zinc/51/59/08/840515908.db2.gz VRKFYRKNUUOFHY-VQTJNVASSA-N 2 1 377.960 3.858 20 0 GHADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Nc1ccc(Cl)cc1 ZINC000313036840 840581796 /nfs/dbraw/zinc/58/17/96/840581796.db2.gz QSXKROUAXWEYSG-JRGCBEDISA-N 2 1 383.923 3.779 20 0 GHADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Nc1ccc(Cl)cc1 ZINC000313036840 840581806 /nfs/dbraw/zinc/58/18/06/840581806.db2.gz QSXKROUAXWEYSG-JRGCBEDISA-N 2 1 383.923 3.779 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000511615565 840644531 /nfs/dbraw/zinc/64/45/31/840644531.db2.gz KPVOGENWZHIPNP-HNNXBMFYSA-N 2 1 385.474 3.687 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000511615565 840644538 /nfs/dbraw/zinc/64/45/38/840644538.db2.gz KPVOGENWZHIPNP-HNNXBMFYSA-N 2 1 385.474 3.687 20 0 GHADMP CO[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCOC1 ZINC000660492419 840657854 /nfs/dbraw/zinc/65/78/54/840657854.db2.gz SDJZGGINPCAVNZ-SQZHVVNYSA-N 2 1 392.971 3.895 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000581126702 840743233 /nfs/dbraw/zinc/74/32/33/840743233.db2.gz BBKRIXJRSHEBRP-UMXIMWEHSA-N 2 1 396.575 3.783 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000473025841 840785935 /nfs/dbraw/zinc/78/59/35/840785935.db2.gz UBNFBUIQHWZIQV-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430551200 841041231 /nfs/dbraw/zinc/04/12/31/841041231.db2.gz LGWMQSMBYCIDCU-QHCPKHFHSA-N 2 1 395.547 3.813 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511862954 841045865 /nfs/dbraw/zinc/04/58/65/841045865.db2.gz GMJHYBKTJMSMCP-UHFFFAOYSA-N 2 1 389.609 3.572 20 0 GHADMP [NH3+][C@H](c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1)c1ccc(Cl)cc1 ZINC000656468933 841054508 /nfs/dbraw/zinc/05/45/08/841054508.db2.gz VTINCOUQOFILFN-UWJYYQICSA-N 2 1 381.911 3.502 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660257814 841097960 /nfs/dbraw/zinc/09/79/60/841097960.db2.gz VNSHNBRTGXYMCJ-NRFANRHFSA-N 2 1 398.595 3.594 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000473513461 844615189 /nfs/dbraw/zinc/61/51/89/844615189.db2.gz FPQOTXUJEJNART-DEOSSOPVSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000417829838 841209443 /nfs/dbraw/zinc/20/94/43/841209443.db2.gz GLBQJWNFCYIVFI-CWKRKGSWSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000417991351 841359077 /nfs/dbraw/zinc/35/90/77/841359077.db2.gz LJSIGMRHCLLCPK-PIPMEXSNSA-N 2 1 386.584 3.762 20 0 GHADMP Cc1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2ccccc12 ZINC000177508867 861193735 /nfs/dbraw/zinc/19/37/35/861193735.db2.gz XKRLEZCHCSAKKN-HDICACEKSA-N 2 1 382.552 3.650 20 0 GHADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2ccccc12 ZINC000177508867 861193736 /nfs/dbraw/zinc/19/37/36/861193736.db2.gz XKRLEZCHCSAKKN-HDICACEKSA-N 2 1 382.552 3.650 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000581429907 841387005 /nfs/dbraw/zinc/38/70/05/841387005.db2.gz OLVVVTTZNGZFHB-HUUCEWRRSA-N 2 1 380.414 3.577 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000500114258 841478023 /nfs/dbraw/zinc/47/80/23/841478023.db2.gz QJGIBBVYFFNESW-HZPDHXFCSA-N 2 1 381.948 3.920 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000581488988 841534840 /nfs/dbraw/zinc/53/48/40/841534840.db2.gz ITWPJYBAJGMGMQ-NHCUHLMSSA-N 2 1 387.531 3.756 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)CC1 ZINC000500155203 841540651 /nfs/dbraw/zinc/54/06/51/841540651.db2.gz NDBRPSLGOQHWTJ-UHFFFAOYSA-N 2 1 395.950 3.590 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000418175956 841615561 /nfs/dbraw/zinc/61/55/61/841615561.db2.gz GKHQALAIJBXZNF-JIRNRHONSA-N 2 1 392.975 3.647 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418239405 841679513 /nfs/dbraw/zinc/67/95/13/841679513.db2.gz OVKQOYZEGMMZIG-SIKLNZKXSA-N 2 1 394.563 3.808 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418286855 841737494 /nfs/dbraw/zinc/73/74/94/841737494.db2.gz SDWXEEQQJSKWIM-NRFANRHFSA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@@H+](CCC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000651909919 841856046 /nfs/dbraw/zinc/85/60/46/841856046.db2.gz AEBOUWZWDBDCGN-SFHVURJKSA-N 2 1 380.598 3.828 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647171671 841952316 /nfs/dbraw/zinc/95/23/16/841952316.db2.gz RRAJMXDHYUXSOX-LJQANCHMSA-N 2 1 375.520 3.789 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)C[C@H](C)O1 ZINC000177749747 861263784 /nfs/dbraw/zinc/26/37/84/861263784.db2.gz ALDDSANFWXGXKF-GASCZTMLSA-N 2 1 398.473 3.571 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(Cc3cccc(C)c3)C2=O)C1 ZINC001167826354 842057898 /nfs/dbraw/zinc/05/78/98/842057898.db2.gz XLQWJMCMTZDSSV-ZJSXRUAMSA-N 2 1 385.596 3.930 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000652193337 842058836 /nfs/dbraw/zinc/05/88/36/842058836.db2.gz FEFACCXPTCPMAS-NRFANRHFSA-N 2 1 394.563 3.508 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3F)c2)CCCO1 ZINC000432344717 842110735 /nfs/dbraw/zinc/11/07/35/842110735.db2.gz BRXKRIUSLFTOBG-LJQANCHMSA-N 2 1 386.511 3.995 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001167828370 842116114 /nfs/dbraw/zinc/11/61/14/842116114.db2.gz XQBMNSLRLBOBHP-MQGJPIDWSA-N 2 1 386.584 3.538 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000581839288 842271450 /nfs/dbraw/zinc/27/14/50/842271450.db2.gz YUHNGOIPVBLNTK-DUXKGJEZSA-N 2 1 378.582 3.506 20 0 GHADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347907 842319412 /nfs/dbraw/zinc/31/94/12/842319412.db2.gz OIWGCDIJMOTMOS-HUHSQHJXSA-N 2 1 390.915 3.669 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000278954398 842373437 /nfs/dbraw/zinc/37/34/37/842373437.db2.gz LSKISEFQYPIDHR-NEPJUHHUSA-N 2 1 387.377 3.999 20 0 GHADMP CC[N@@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581882865 842414150 /nfs/dbraw/zinc/41/41/50/842414150.db2.gz REUXZJOQVQIQNF-UYAOXDASSA-N 2 1 381.923 3.510 20 0 GHADMP CC[N@H+]1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581882865 842414155 /nfs/dbraw/zinc/41/41/55/842414155.db2.gz REUXZJOQVQIQNF-UYAOXDASSA-N 2 1 381.923 3.510 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512089146 842460298 /nfs/dbraw/zinc/46/02/98/842460298.db2.gz REFMUWZKHPPGLI-CYBMUJFWSA-N 2 1 375.376 3.971 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887542 842463906 /nfs/dbraw/zinc/46/39/06/842463906.db2.gz UUKBJDANKZWMRZ-UYAOXDASSA-N 2 1 376.541 3.553 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887542 842463911 /nfs/dbraw/zinc/46/39/11/842463911.db2.gz UUKBJDANKZWMRZ-UYAOXDASSA-N 2 1 376.541 3.553 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887542 842463915 /nfs/dbraw/zinc/46/39/15/842463915.db2.gz UUKBJDANKZWMRZ-UYAOXDASSA-N 2 1 376.541 3.553 20 0 GHADMP [NH3+][C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccc(Cl)c1 ZINC000648165488 842789049 /nfs/dbraw/zinc/78/90/49/842789049.db2.gz ZRTCOVVIMCLSES-NRFANRHFSA-N 2 1 397.950 3.855 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(OC(F)F)c1 ZINC000512188133 842834576 /nfs/dbraw/zinc/83/45/76/842834576.db2.gz WCUVNEOKXOKMPK-HZPDHXFCSA-N 2 1 398.494 3.618 20 0 GHADMP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000474891675 861353273 /nfs/dbraw/zinc/35/32/73/861353273.db2.gz DYUOQXSXEWJZIH-LEWJYISDSA-N 2 1 387.568 3.652 20 0 GHADMP CC(CC[NH+]1CCC[C@@H](OC(F)F)C1)CC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000663724034 842910249 /nfs/dbraw/zinc/91/02/49/842910249.db2.gz LOCZQKCVUXHNCV-HZPDHXFCSA-N 2 1 384.458 3.810 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549588923 843006912 /nfs/dbraw/zinc/00/69/12/843006912.db2.gz LZXVTLYAUYMRBD-OAQYLSRUSA-N 2 1 388.600 3.516 20 0 GHADMP COc1ccc2c(c1)[C@@H]([N@H+](Cc1ccccc1)C[C@H]1CCC3(C[NH2+]C3)O1)CCO2 ZINC000662254756 843018972 /nfs/dbraw/zinc/01/89/72/843018972.db2.gz LCHPGKKFHYWMHV-IRLDBZIGSA-N 2 1 394.515 3.542 20 0 GHADMP c1ccc(COCc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)cc1 ZINC000655690021 861375600 /nfs/dbraw/zinc/37/56/00/861375600.db2.gz RYACHUZRBGICAJ-XMMPIXPASA-N 2 1 380.532 3.746 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297198 843092959 /nfs/dbraw/zinc/09/29/59/843092959.db2.gz OHVBQFNNVTVAPN-YLJYHZDGSA-N 2 1 383.536 3.664 20 0 GHADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337607 843148939 /nfs/dbraw/zinc/14/89/39/843148939.db2.gz LXAYZVFTECSTHM-GOEBONIOSA-N 2 1 391.922 3.552 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)c1ccccc1Cl ZINC000662343346 843153248 /nfs/dbraw/zinc/15/32/48/843153248.db2.gz OSFBIZBVRFPUHE-UWJYYQICSA-N 2 1 385.939 3.751 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000673681636 861385132 /nfs/dbraw/zinc/38/51/32/861385132.db2.gz LBDQEBZHPQWFKO-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000673681636 861385138 /nfs/dbraw/zinc/38/51/38/861385138.db2.gz LBDQEBZHPQWFKO-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000673681636 861385148 /nfs/dbraw/zinc/38/51/48/861385148.db2.gz LBDQEBZHPQWFKO-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP CSc1cccc(N(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC[NH+](C)CC2)c1 ZINC000888937699 843170053 /nfs/dbraw/zinc/17/00/53/843170053.db2.gz SVPGZGNAGBVZTM-IRXDYDNUSA-N 2 1 375.582 3.566 20 0 GHADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430913132 843172142 /nfs/dbraw/zinc/17/21/42/843172142.db2.gz RVSBMIXRIMKWDV-NZQKXSOJSA-N 2 1 379.633 3.710 20 0 GHADMP C[C@H]1CCCC[C@H]1OCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913132 843172144 /nfs/dbraw/zinc/17/21/44/843172144.db2.gz RVSBMIXRIMKWDV-NZQKXSOJSA-N 3 1 379.633 3.710 20 0 GHADMP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430913132 843172151 /nfs/dbraw/zinc/17/21/51/843172151.db2.gz RVSBMIXRIMKWDV-NZQKXSOJSA-N 3 1 379.633 3.710 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000662425472 843218945 /nfs/dbraw/zinc/21/89/45/843218945.db2.gz CLLHKYOANQBXGY-YLJYHZDGSA-N 2 1 397.588 3.769 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000178705911 861398872 /nfs/dbraw/zinc/39/88/72/861398872.db2.gz COWZPOFWIDSOHQ-QWHCGFSZSA-N 2 1 383.277 3.783 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000178705788 861399859 /nfs/dbraw/zinc/39/98/59/861399859.db2.gz KNQWRFIKRCVZOX-ZIAGYGMSSA-N 2 1 393.329 3.597 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000563093297 843494527 /nfs/dbraw/zinc/49/45/27/843494527.db2.gz QBGCMWHZWBJVGO-GOSISDBHSA-N 2 1 380.536 3.519 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662675608 843512813 /nfs/dbraw/zinc/51/28/13/843512813.db2.gz NBTIVIKFAOBDTD-NRFANRHFSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418682304 843530328 /nfs/dbraw/zinc/53/03/28/843530328.db2.gz WGMLQFXAXWMVLL-URVUXULASA-N 2 1 386.584 3.763 20 0 GHADMP CCC[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431100588 843596287 /nfs/dbraw/zinc/59/62/87/843596287.db2.gz VVYHNKYOMAYHNU-HSZRJFAPSA-N 2 1 379.548 3.551 20 0 GHADMP CCC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431100588 843596298 /nfs/dbraw/zinc/59/62/98/843596298.db2.gz VVYHNKYOMAYHNU-HSZRJFAPSA-N 2 1 379.548 3.551 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000636911313 843600404 /nfs/dbraw/zinc/60/04/04/843600404.db2.gz ZBQBURKMJNTZIF-SFHVURJKSA-N 2 1 395.551 3.902 20 0 GHADMP CCCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418770407 843617625 /nfs/dbraw/zinc/61/76/25/843617625.db2.gz OICNXBPCVNCBBK-FCHUYYIVSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468236 843672661 /nfs/dbraw/zinc/67/26/61/843672661.db2.gz KSDSSVGYRYYNHF-FXAWDEMLSA-N 2 1 391.987 3.789 20 0 GHADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000178962867 861443647 /nfs/dbraw/zinc/44/36/47/861443647.db2.gz RRFZZWBAMUHPEZ-UBLGTCEWSA-N 2 1 397.485 3.889 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001167822599 843732478 /nfs/dbraw/zinc/73/24/78/843732478.db2.gz IVSZEIQYTKKVHR-LEWJYISDSA-N 3 1 391.600 3.845 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(C[C@@H](N(C)Cc3ccco3)CO2)CC1 ZINC001167822599 843732490 /nfs/dbraw/zinc/73/24/90/843732490.db2.gz IVSZEIQYTKKVHR-LEWJYISDSA-N 2 1 391.600 3.845 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000410391065 843740341 /nfs/dbraw/zinc/74/03/41/843740341.db2.gz GXXZNQUYVZXFQQ-NZQKXSOJSA-N 2 1 398.595 3.831 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C[C@H]4CCC5(CCCCC5)O4)CC3)C2)cc1 ZINC000512426829 843768303 /nfs/dbraw/zinc/76/83/03/843768303.db2.gz JAFBBGLVNXGUAI-DNQXCXABSA-N 2 1 397.607 3.760 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@H]4CCC5(CCCCC5)O4)CC3)C2)cc1 ZINC000512426829 843768306 /nfs/dbraw/zinc/76/83/06/843768306.db2.gz JAFBBGLVNXGUAI-DNQXCXABSA-N 2 1 397.607 3.760 20 0 GHADMP CCc1ccccc1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512445259 843820337 /nfs/dbraw/zinc/82/03/37/843820337.db2.gz YJDBVGFZMYUXKS-RUZDIDTESA-N 2 1 377.576 3.684 20 0 GHADMP Clc1ccccc1CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512450389 843831314 /nfs/dbraw/zinc/83/13/14/843831314.db2.gz RVULLAZGDGJBJZ-JOCHJYFZSA-N 2 1 383.967 3.775 20 0 GHADMP Clc1ccccc1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512450389 843831324 /nfs/dbraw/zinc/83/13/24/843831324.db2.gz RVULLAZGDGJBJZ-JOCHJYFZSA-N 2 1 383.967 3.775 20 0 GHADMP CCc1ccc(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512451172 843843092 /nfs/dbraw/zinc/84/30/92/843843092.db2.gz XODWYWPAWAEJGH-VWLOTQADSA-N 2 1 377.576 3.684 20 0 GHADMP CCOc1c(Br)cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000391447038 843861336 /nfs/dbraw/zinc/86/13/36/843861336.db2.gz CEKYUGXWJVZETH-GJZGRUSLSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000391447038 843861346 /nfs/dbraw/zinc/86/13/46/843861346.db2.gz CEKYUGXWJVZETH-GJZGRUSLSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000391447038 843861353 /nfs/dbraw/zinc/86/13/53/843861353.db2.gz CEKYUGXWJVZETH-GJZGRUSLSA-N 2 1 383.330 3.573 20 0 GHADMP Clc1cccc(OCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512461463 843882813 /nfs/dbraw/zinc/88/28/13/843882813.db2.gz CYNSTBRLKPANDG-JOCHJYFZSA-N 2 1 399.966 3.611 20 0 GHADMP Clc1cccc(OCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512461463 843882822 /nfs/dbraw/zinc/88/28/22/843882822.db2.gz CYNSTBRLKPANDG-JOCHJYFZSA-N 2 1 399.966 3.611 20 0 GHADMP CN1CC[N@@H+](C)C[C@@H]1CNc1cc(C2CC2)nc2c(Br)cccc12 ZINC000432825647 843993456 /nfs/dbraw/zinc/99/34/56/843993456.db2.gz XGEFEGBHNVXHLZ-AWEZNQCLSA-N 2 1 389.341 3.532 20 0 GHADMP Cc1cc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)ccc1C[NH+](C)C ZINC000458275246 844779503 /nfs/dbraw/zinc/77/95/03/844779503.db2.gz YTBNQKUQEMNQGN-UHFFFAOYSA-N 2 1 385.418 3.827 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000509776842 845133264 /nfs/dbraw/zinc/13/32/64/845133264.db2.gz MTYQJFBNLZZCJZ-PFPLVKHPSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000509776842 845133270 /nfs/dbraw/zinc/13/32/70/845133270.db2.gz MTYQJFBNLZZCJZ-PFPLVKHPSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000509776842 845133278 /nfs/dbraw/zinc/13/32/78/845133278.db2.gz MTYQJFBNLZZCJZ-PFPLVKHPSA-N 2 1 398.595 3.602 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713204 845151940 /nfs/dbraw/zinc/15/19/40/845151940.db2.gz XWJCNHQVVDLIQN-AQCRLBJHSA-N 2 1 392.632 3.839 20 0 GHADMP FC(F)(F)c1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000152233994 845205246 /nfs/dbraw/zinc/20/52/46/845205246.db2.gz FWUQUCXQOHPJNI-UHFFFAOYSA-N 2 1 379.426 3.733 20 0 GHADMP c1cn(-c2ncccc2C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000248399446 845299363 /nfs/dbraw/zinc/29/93/63/845299363.db2.gz JVZAIKOKHKIAGY-RJGXRXQPSA-N 2 1 387.531 3.658 20 0 GHADMP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388309 861560006 /nfs/dbraw/zinc/56/00/06/861560006.db2.gz FSMDXVMBCLNSLA-IBGZPJMESA-N 2 1 392.547 3.598 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)c(C)n2n1 ZINC000179417380 861571943 /nfs/dbraw/zinc/57/19/43/861571943.db2.gz QZVOUUGGCHWVKV-FUHWJXTLSA-N 2 1 383.565 3.970 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)c(C)n2n1 ZINC000179417380 861571955 /nfs/dbraw/zinc/57/19/55/861571955.db2.gz QZVOUUGGCHWVKV-FUHWJXTLSA-N 2 1 383.565 3.970 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000513461830 845483230 /nfs/dbraw/zinc/48/32/30/845483230.db2.gz QJUHFGTWEADGCG-SIKLNZKXSA-N 2 1 390.591 3.520 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccccc2N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000513488686 845521982 /nfs/dbraw/zinc/52/19/82/845521982.db2.gz ZIXYKBALCTUAAR-GGAORHGYSA-N 2 1 393.575 3.914 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000249299169 845533273 /nfs/dbraw/zinc/53/32/73/845533273.db2.gz RTTIXLFHHUPFGB-DNQXCXABSA-N 2 1 387.612 3.771 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2nccn2CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000513505291 845541682 /nfs/dbraw/zinc/54/16/82/845541682.db2.gz JEWMUYOCGIQYIJ-SJLPKXTDSA-N 2 1 380.458 3.836 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC000411549790 845580432 /nfs/dbraw/zinc/58/04/32/845580432.db2.gz HXMUBQXGZKEFNT-GCJKJVERSA-N 2 1 399.966 3.847 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000433943511 845641532 /nfs/dbraw/zinc/64/15/32/845641532.db2.gz UOBUOEJPGJSEMC-UNWVZKJWSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000433943511 845641539 /nfs/dbraw/zinc/64/15/39/845641539.db2.gz UOBUOEJPGJSEMC-UNWVZKJWSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000433943511 845641543 /nfs/dbraw/zinc/64/15/43/845641543.db2.gz UOBUOEJPGJSEMC-UNWVZKJWSA-N 2 1 398.595 3.603 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472080363 845731916 /nfs/dbraw/zinc/73/19/16/845731916.db2.gz NYHMCNRGZPOUDY-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472080363 845731925 /nfs/dbraw/zinc/73/19/25/845731925.db2.gz NYHMCNRGZPOUDY-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4sccc43)c2)C1 ZINC000156937661 845763654 /nfs/dbraw/zinc/76/36/54/845763654.db2.gz XLLGXBHNGRYJFX-AZUAARDMSA-N 2 1 383.561 3.613 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657313700 846086470 /nfs/dbraw/zinc/08/64/70/846086470.db2.gz VVJHYTWBNWXVKA-UHFFFAOYSA-N 2 1 376.548 3.904 20 0 GHADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000280349780 846370530 /nfs/dbraw/zinc/37/05/30/846370530.db2.gz REIWJYKAAWLOGJ-IRXDYDNUSA-N 2 1 398.551 3.861 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCSC3CCCCC3)CC2)C[C@@H](C)O1 ZINC000500989663 846526173 /nfs/dbraw/zinc/52/61/73/846526173.db2.gz HGQZGNRKVLIBQM-RTBURBONSA-N 2 1 384.630 3.643 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000502858152 846553983 /nfs/dbraw/zinc/55/39/83/846553983.db2.gz HOFQVFDQWWNBJQ-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000502858152 846553985 /nfs/dbraw/zinc/55/39/85/846553985.db2.gz HOFQVFDQWWNBJQ-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000502858152 846553988 /nfs/dbraw/zinc/55/39/88/846553988.db2.gz HOFQVFDQWWNBJQ-RBBKRZOGSA-N 2 1 386.584 3.605 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501024918 846559224 /nfs/dbraw/zinc/55/92/24/846559224.db2.gz OVIZKNZDXIFOGX-KRWDZBQOSA-N 2 1 398.576 3.979 20 0 GHADMP CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501045213 846571545 /nfs/dbraw/zinc/57/15/45/846571545.db2.gz LZABQCKAJOBKSM-LJQANCHMSA-N 2 1 394.563 3.670 20 0 GHADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1Cl ZINC000421821220 846600186 /nfs/dbraw/zinc/60/01/86/846600186.db2.gz QERKCRPGNMNLDW-IBGZPJMESA-N 2 1 386.971 3.984 20 0 GHADMP C[N@H+](CC(=O)NCCCC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501052371 846604543 /nfs/dbraw/zinc/60/45/43/846604543.db2.gz KCMJKAVKUQJNOC-UHFFFAOYSA-N 2 1 386.584 3.707 20 0 GHADMP COC1([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CCCC1 ZINC000421827013 846605155 /nfs/dbraw/zinc/60/51/55/846605155.db2.gz VXVHCAXPVZDPFX-IBGZPJMESA-N 2 1 390.568 3.614 20 0 GHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000501100039 846640037 /nfs/dbraw/zinc/64/00/37/846640037.db2.gz HGSKJIKJNIEKCZ-VWNXMTODSA-N 2 1 386.628 3.560 20 0 GHADMP CCN(CCCN1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501100039 846640040 /nfs/dbraw/zinc/64/00/40/846640040.db2.gz HGSKJIKJNIEKCZ-VWNXMTODSA-N 2 1 386.628 3.560 20 0 GHADMP CCN(CCCN1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000501100039 846640046 /nfs/dbraw/zinc/64/00/46/846640046.db2.gz HGSKJIKJNIEKCZ-VWNXMTODSA-N 2 1 386.628 3.560 20 0 GHADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000501100038 846640363 /nfs/dbraw/zinc/64/03/63/846640363.db2.gz HGSKJIKJNIEKCZ-UPVQGACJSA-N 2 1 386.628 3.560 20 0 GHADMP CCN(CCCN1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501100038 846640368 /nfs/dbraw/zinc/64/03/68/846640368.db2.gz HGSKJIKJNIEKCZ-UPVQGACJSA-N 2 1 386.628 3.560 20 0 GHADMP CCN(CCCN1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501100038 846640377 /nfs/dbraw/zinc/64/03/77/846640377.db2.gz HGSKJIKJNIEKCZ-UPVQGACJSA-N 2 1 386.628 3.560 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)CC1 ZINC000429133445 861707765 /nfs/dbraw/zinc/70/77/65/861707765.db2.gz HLADITMNWAHLES-HXUWFJFHSA-N 2 1 382.017 3.923 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501160967 846692323 /nfs/dbraw/zinc/69/23/23/846692323.db2.gz DBJJERWJRDQKSU-ZIFCJYIRSA-N 2 1 380.602 3.551 20 0 GHADMP COc1cccc2c(NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)cc(C)[nH+]c12 ZINC000664238107 846775127 /nfs/dbraw/zinc/77/51/27/846775127.db2.gz WDRCONKSUQWXOJ-LJQANCHMSA-N 2 1 377.488 3.731 20 0 GHADMP COc1cccc2c(NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)cc(C)[nH+]c12 ZINC000664238107 846775136 /nfs/dbraw/zinc/77/51/36/846775136.db2.gz WDRCONKSUQWXOJ-LJQANCHMSA-N 2 1 377.488 3.731 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604079742 861722927 /nfs/dbraw/zinc/72/29/27/861722927.db2.gz AWYIOXHPDGIRHB-JOCHJYFZSA-N 2 1 386.584 3.606 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422129987 846830953 /nfs/dbraw/zinc/83/09/53/846830953.db2.gz AHOKYJCFAAZTSD-QFIPXVFZSA-N 2 1 386.584 3.585 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000422129987 846830954 /nfs/dbraw/zinc/83/09/54/846830954.db2.gz AHOKYJCFAAZTSD-QFIPXVFZSA-N 2 1 386.584 3.585 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271750319 846909631 /nfs/dbraw/zinc/90/96/31/846909631.db2.gz KLPQVAWNPSXXAI-MRXNPFEDSA-N 2 1 380.467 3.863 20 0 GHADMP C[C@H]1C[NH+](CCCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000559919964 846999212 /nfs/dbraw/zinc/99/92/12/846999212.db2.gz RUAIEOODHSMIDI-CQNRZJDLSA-N 3 1 387.612 3.909 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000420332980 847129086 /nfs/dbraw/zinc/12/90/86/847129086.db2.gz DUBSTKRTYQRZDX-JOCHJYFZSA-N 2 1 377.532 3.680 20 0 GHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000420360206 847138160 /nfs/dbraw/zinc/13/81/60/847138160.db2.gz KTLKGEHVOBTWLC-PZJWPPBQSA-N 2 1 385.939 3.523 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1 ZINC000420368942 847143954 /nfs/dbraw/zinc/14/39/54/847143954.db2.gz XBJAMIWGOJAHRV-RBUKOAKNSA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000420368942 847143962 /nfs/dbraw/zinc/14/39/62/847143962.db2.gz XBJAMIWGOJAHRV-RBUKOAKNSA-N 2 1 378.520 3.802 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000420368942 847143969 /nfs/dbraw/zinc/14/39/69/847143969.db2.gz XBJAMIWGOJAHRV-RBUKOAKNSA-N 2 1 378.520 3.802 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC001167572292 847148871 /nfs/dbraw/zinc/14/88/71/847148871.db2.gz LCBVBXSFGGVWBI-FQEVSTJZSA-N 2 1 379.633 3.708 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC(C)(C)OC1(C)C ZINC001167572292 847148872 /nfs/dbraw/zinc/14/88/72/847148872.db2.gz LCBVBXSFGGVWBI-FQEVSTJZSA-N 3 1 379.633 3.708 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC(C)(C)OC1(C)C ZINC001167572292 847148875 /nfs/dbraw/zinc/14/88/75/847148875.db2.gz LCBVBXSFGGVWBI-FQEVSTJZSA-N 3 1 379.633 3.708 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000599839748 861778126 /nfs/dbraw/zinc/77/81/26/861778126.db2.gz CCNGZVZCBGOWHW-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1)CC(C)C ZINC000422244475 847487853 /nfs/dbraw/zinc/48/78/53/847487853.db2.gz LYUNZQFTMRTJLZ-UHFFFAOYSA-N 2 1 380.621 3.649 20 0 GHADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000420899151 847517293 /nfs/dbraw/zinc/51/72/93/847517293.db2.gz DYDNAQRTUHWKEB-DEOSSOPVSA-N 2 1 385.596 3.607 20 0 GHADMP c1cc(CN2CCOCC2)cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000420899151 847517301 /nfs/dbraw/zinc/51/73/01/847517301.db2.gz DYDNAQRTUHWKEB-DEOSSOPVSA-N 2 1 385.596 3.607 20 0 GHADMP Fc1ccc(NC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420932872 847552301 /nfs/dbraw/zinc/55/23/01/847552301.db2.gz HVCDTCMZWKJSQX-UHFFFAOYSA-N 2 1 383.511 3.734 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000420933883 847552884 /nfs/dbraw/zinc/55/28/84/847552884.db2.gz IQMSWJYPKIIZGG-SFHVURJKSA-N 2 1 393.531 3.718 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420979305 847605733 /nfs/dbraw/zinc/60/57/33/847605733.db2.gz KJDAYTVKVMTMJP-UHFFFAOYSA-N 2 1 399.501 3.576 20 0 GHADMP OCC1([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2cccs2)CCC1 ZINC000420979096 847605840 /nfs/dbraw/zinc/60/58/40/847605840.db2.gz URFMXFUBLRTFJA-NRFANRHFSA-N 2 1 386.561 3.574 20 0 GHADMP CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccn2)cc1 ZINC000422716402 847793025 /nfs/dbraw/zinc/79/30/25/847793025.db2.gz UNKOZVGFRACKIZ-BHDDXSALSA-N 2 1 397.519 3.519 20 0 GHADMP COc1ccc([C@H](NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422722922 847796672 /nfs/dbraw/zinc/79/66/72/847796672.db2.gz ZCPDNGOCUUJURN-CNDZOEFASA-N 2 1 385.577 3.586 20 0 GHADMP COc1ccc([C@H](NC[C@@H](C)[N@H+]2CCc3sccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422722922 847796677 /nfs/dbraw/zinc/79/66/77/847796677.db2.gz ZCPDNGOCUUJURN-CNDZOEFASA-N 2 1 385.577 3.586 20 0 GHADMP C[C@H](NC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758353 847801703 /nfs/dbraw/zinc/80/17/03/847801703.db2.gz IWASEHATMLTYBF-XXTHSBEZSA-N 2 1 385.596 3.787 20 0 GHADMP COc1ccc([C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422769271 847815538 /nfs/dbraw/zinc/81/55/38/847815538.db2.gz VNWYQVQLRMCQQU-DHIUTWEWSA-N 2 1 398.522 3.965 20 0 GHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783912 847820886 /nfs/dbraw/zinc/82/08/86/847820886.db2.gz LOOGRDLISFCBIK-ISKFKSNPSA-N 2 1 377.532 3.628 20 0 GHADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422811812 847835352 /nfs/dbraw/zinc/83/53/52/847835352.db2.gz PNRODOPTPAJDBA-NDAONFMYSA-N 2 1 385.596 3.696 20 0 GHADMP C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCOCC1)c1c[nH+]ccc1N ZINC000422876242 847864577 /nfs/dbraw/zinc/86/45/77/847864577.db2.gz FJCSQCRDJDZCIM-AWEZNQCLSA-N 2 1 390.325 3.656 20 0 GHADMP FC(F)(F)c1ccc(OCCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000423072523 847963554 /nfs/dbraw/zinc/96/35/54/847963554.db2.gz JNMPARQPZCXQPJ-ROUUACIJSA-N 2 1 379.426 3.952 20 0 GHADMP CC(C)N1CC[C@@H]([NH2+]CCCc2c[nH+]cn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000582733684 848207829 /nfs/dbraw/zinc/20/78/29/848207829.db2.gz KWWHFKXPLUDSEH-WOJBJXKFSA-N 2 1 378.923 3.959 20 0 GHADMP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000657688770 848634685 /nfs/dbraw/zinc/63/46/85/848634685.db2.gz JSKIQEXNJXXZSD-OFNKIYASSA-N 2 1 384.543 3.567 20 0 GHADMP c1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000120973152 848672904 /nfs/dbraw/zinc/67/29/04/848672904.db2.gz UCQKEPMQJQRRRJ-UHFFFAOYSA-N 2 1 387.531 3.898 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000431509162 848768140 /nfs/dbraw/zinc/76/81/40/848768140.db2.gz NBSNOXQTPMTNRV-JOCHJYFZSA-N 2 1 383.511 3.553 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000431509162 848768145 /nfs/dbraw/zinc/76/81/45/848768145.db2.gz NBSNOXQTPMTNRV-JOCHJYFZSA-N 2 1 383.511 3.553 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCCO2 ZINC000162228133 848866936 /nfs/dbraw/zinc/86/69/36/848866936.db2.gz DNQPEXJGSRYQFB-FQEVSTJZSA-N 2 1 382.508 3.574 20 0 GHADMP CN(CC[N@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](C)CC1 ZINC000583111372 849083475 /nfs/dbraw/zinc/08/34/75/849083475.db2.gz UOCHLFWIJQCYDG-UHFFFAOYSA-N 2 1 393.000 3.921 20 0 GHADMP CN(CC[N@@H+](C)Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](C)CC1 ZINC000583111372 849083484 /nfs/dbraw/zinc/08/34/84/849083484.db2.gz UOCHLFWIJQCYDG-UHFFFAOYSA-N 2 1 393.000 3.921 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000079597552 849123634 /nfs/dbraw/zinc/12/36/34/849123634.db2.gz RFXWJTPUNUHZCY-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC ZINC000657751511 849613481 /nfs/dbraw/zinc/61/34/81/849613481.db2.gz RHHPCVGUCFQOMQ-FQEVSTJZSA-N 2 1 376.541 3.607 20 0 GHADMP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899874500 862059923 /nfs/dbraw/zinc/05/99/23/862059923.db2.gz XSRSJYGMEROPRD-AWEZNQCLSA-N 2 1 382.430 3.571 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000472286023 849853692 /nfs/dbraw/zinc/85/36/92/849853692.db2.gz HJKPFEHFULAHRN-QHCPKHFHSA-N 2 1 395.547 3.872 20 0 GHADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423345522 849863519 /nfs/dbraw/zinc/86/35/19/849863519.db2.gz XPKDSXHWTZABEP-PUHATCMVSA-N 2 1 386.511 3.517 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CCc2n[nH]c3ccccc32)cc1 ZINC000423326040 849867099 /nfs/dbraw/zinc/86/70/99/849867099.db2.gz JBNYQDNGOFYAHZ-BVZALQNUSA-N 2 1 378.520 3.628 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[C@H]1O ZINC000583422686 849869199 /nfs/dbraw/zinc/86/91/99/849869199.db2.gz ZDJPUVOMDXFAPB-JHXGOWNISA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@H]1[C@H]1CCC[C@H]1O ZINC000583422686 849869210 /nfs/dbraw/zinc/86/92/10/849869210.db2.gz ZDJPUVOMDXFAPB-JHXGOWNISA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CCCC[NH+]1CCCC[C@H]1[C@H]1CCC[C@H]1O ZINC000583422686 849869222 /nfs/dbraw/zinc/86/92/22/849869222.db2.gz ZDJPUVOMDXFAPB-JHXGOWNISA-N 2 1 392.628 3.798 20 0 GHADMP CCc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423397459 849901408 /nfs/dbraw/zinc/90/14/08/849901408.db2.gz SWPXCJUWUCMISS-URVUXULASA-N 2 1 386.561 3.601 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1I ZINC000423405537 849910492 /nfs/dbraw/zinc/91/04/92/849910492.db2.gz YBVARXGJDPCOEA-GFCCVEGCSA-N 2 1 378.257 3.745 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC000504128303 849925430 /nfs/dbraw/zinc/92/54/30/849925430.db2.gz LMDQNIXJYCOEAZ-NHCUHLMSSA-N 2 1 390.547 3.525 20 0 GHADMP Brc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)s1 ZINC000423503082 849946702 /nfs/dbraw/zinc/94/67/02/849946702.db2.gz DQDDEQSTNDXQSL-JMLCCBQJSA-N 2 1 398.414 3.768 20 0 GHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)c3sccc3C[NH+](C)C)c2)CC1 ZINC000504188872 849961111 /nfs/dbraw/zinc/96/11/11/849961111.db2.gz XFEWAZXJKURZEB-UHFFFAOYSA-N 2 1 386.565 3.592 20 0 GHADMP Clc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423514164 849963080 /nfs/dbraw/zinc/96/30/80/849963080.db2.gz MDFDQUWQTJRIFV-JKSUJKDBSA-N 2 1 377.941 3.809 20 0 GHADMP C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423876927 850083000 /nfs/dbraw/zinc/08/30/00/850083000.db2.gz SMAFJUPQPFPLAA-BWAGFHJFSA-N 2 1 379.548 3.739 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637870083 850250032 /nfs/dbraw/zinc/25/00/32/850250032.db2.gz AEWPFEDWHHEVSP-UHFFFAOYSA-N 2 1 387.911 3.671 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC[NH2+]CC2 ZINC000424289057 850334450 /nfs/dbraw/zinc/33/44/50/850334450.db2.gz LILRPZNLNFVDAS-GFCCVEGCSA-N 2 1 389.849 3.761 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC[NH2+]CC2 ZINC000424302103 850371276 /nfs/dbraw/zinc/37/12/76/850371276.db2.gz YXUYZQDXVKGZQL-PGRDOPGGSA-N 2 1 397.588 3.808 20 0 GHADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[NH+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487049380 850413850 /nfs/dbraw/zinc/41/38/50/850413850.db2.gz SLYJZFBAHHNOCM-UVDFWXMISA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[NH+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487049380 850413854 /nfs/dbraw/zinc/41/38/54/850413854.db2.gz SLYJZFBAHHNOCM-UVDFWXMISA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487049380 850413861 /nfs/dbraw/zinc/41/38/61/850413861.db2.gz SLYJZFBAHHNOCM-UVDFWXMISA-N 2 1 395.950 3.707 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487049380 850413871 /nfs/dbraw/zinc/41/38/71/850413871.db2.gz SLYJZFBAHHNOCM-UVDFWXMISA-N 2 1 395.950 3.707 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435383446 850449559 /nfs/dbraw/zinc/44/95/59/850449559.db2.gz GRLUVDOOSNBNQH-CQSZACIVSA-N 2 1 377.330 3.539 20 0 GHADMP COc1cc(Br)c(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(OC)c1 ZINC000414808133 850642185 /nfs/dbraw/zinc/64/21/85/850642185.db2.gz KHCHIQMEMYGUOP-LBPRGKRZSA-N 2 1 379.298 3.776 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC(F)(F)C1 ZINC001167965908 850702488 /nfs/dbraw/zinc/70/24/88/850702488.db2.gz PUDYGWZTPIQSJA-XFYFCPPXSA-N 2 1 399.526 3.626 20 0 GHADMP Clc1ccc(OCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435693021 850771528 /nfs/dbraw/zinc/77/15/28/850771528.db2.gz ICZMENXYFAYEEH-KRWDZBQOSA-N 2 1 377.941 3.820 20 0 GHADMP Clc1ccc(OCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435693021 850771537 /nfs/dbraw/zinc/77/15/37/850771537.db2.gz ICZMENXYFAYEEH-KRWDZBQOSA-N 2 1 377.941 3.820 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505280424 850782837 /nfs/dbraw/zinc/78/28/37/850782837.db2.gz URROEUQJYCGBMK-NRFANRHFSA-N 2 1 375.601 3.756 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000435751081 850815800 /nfs/dbraw/zinc/81/58/00/850815800.db2.gz PKHKTEHHMDEISF-QHCPKHFHSA-N 2 1 398.595 3.747 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000515301948 850892055 /nfs/dbraw/zinc/89/20/55/850892055.db2.gz VUSFQRYDNGAKSX-XXBNENTESA-N 2 1 391.559 3.794 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1 ZINC000515460911 851049937 /nfs/dbraw/zinc/04/99/37/851049937.db2.gz UVTOCLPJQOWDNI-XJABCFGWSA-N 2 1 395.551 3.805 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc(Br)c1O ZINC000668818051 851110342 /nfs/dbraw/zinc/11/03/42/851110342.db2.gz FGYILHANKXKALV-HNNXBMFYSA-N 2 1 397.357 3.765 20 0 GHADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(Br)c1O ZINC000668818051 851110346 /nfs/dbraw/zinc/11/03/46/851110346.db2.gz FGYILHANKXKALV-HNNXBMFYSA-N 2 1 397.357 3.765 20 0 GHADMP CC[C@@]1(CO)CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@](CC)(CO)C3)cc2)C1 ZINC000187562015 851193966 /nfs/dbraw/zinc/19/39/66/851193966.db2.gz DINWDVWEZXILGR-DNQXCXABSA-N 2 1 388.596 3.656 20 0 GHADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678710 851447553 /nfs/dbraw/zinc/44/75/53/851447553.db2.gz JXUQAPJHKJODRA-LJQANCHMSA-N 2 1 394.563 3.754 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167970566 851473570 /nfs/dbraw/zinc/47/35/70/851473570.db2.gz MYRDOOSQRUXYBR-XUBOLADHSA-N 2 1 377.573 3.629 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000111241108 851578290 /nfs/dbraw/zinc/57/82/90/851578290.db2.gz PMPNIJCCFWQJSV-INIZCTEOSA-N 2 1 375.340 3.539 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)c1 ZINC000473733229 851787411 /nfs/dbraw/zinc/78/74/11/851787411.db2.gz KXEXQUXXEFKSAM-FCHUYYIVSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000473733229 851787415 /nfs/dbraw/zinc/78/74/15/851787415.db2.gz KXEXQUXXEFKSAM-FCHUYYIVSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000473733229 851787421 /nfs/dbraw/zinc/78/74/21/851787421.db2.gz KXEXQUXXEFKSAM-FCHUYYIVSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000473735615 851792137 /nfs/dbraw/zinc/79/21/37/851792137.db2.gz RGVNGJYYGANMPM-JOCHJYFZSA-N 2 1 388.600 3.792 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000473735615 851792140 /nfs/dbraw/zinc/79/21/40/851792140.db2.gz RGVNGJYYGANMPM-JOCHJYFZSA-N 2 1 388.600 3.792 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000473735615 851792143 /nfs/dbraw/zinc/79/21/43/851792143.db2.gz RGVNGJYYGANMPM-JOCHJYFZSA-N 2 1 388.600 3.792 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000550199806 851883744 /nfs/dbraw/zinc/88/37/44/851883744.db2.gz NGFNDYAFRJDPMS-QHCPKHFHSA-N 2 1 391.515 3.512 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000550199806 851883752 /nfs/dbraw/zinc/88/37/52/851883752.db2.gz NGFNDYAFRJDPMS-QHCPKHFHSA-N 2 1 391.515 3.512 20 0 GHADMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000101978897 852062997 /nfs/dbraw/zinc/06/29/97/852062997.db2.gz PWBSTJULZIKAQP-UHFFFAOYSA-N 2 1 382.552 3.555 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)c1 ZINC000438146069 852080453 /nfs/dbraw/zinc/08/04/53/852080453.db2.gz WAHGIJIMECKOMF-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000438146069 852080456 /nfs/dbraw/zinc/08/04/56/852080456.db2.gz WAHGIJIMECKOMF-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000438146069 852080461 /nfs/dbraw/zinc/08/04/61/852080461.db2.gz WAHGIJIMECKOMF-JOCHJYFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982802 852101872 /nfs/dbraw/zinc/10/18/72/852101872.db2.gz AVCOKSUKDUBYEB-COHPWVSRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982802 852101878 /nfs/dbraw/zinc/10/18/78/852101878.db2.gz AVCOKSUKDUBYEB-COHPWVSRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982802 852101883 /nfs/dbraw/zinc/10/18/83/852101883.db2.gz AVCOKSUKDUBYEB-COHPWVSRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982802 852101888 /nfs/dbraw/zinc/10/18/88/852101888.db2.gz AVCOKSUKDUBYEB-COHPWVSRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982802 852101894 /nfs/dbraw/zinc/10/18/94/852101894.db2.gz AVCOKSUKDUBYEB-COHPWVSRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167982851 852132073 /nfs/dbraw/zinc/13/20/73/852132073.db2.gz CPQREDKBPWRDOA-YOFSQIOKSA-N 2 1 389.584 3.725 20 0 GHADMP C[NH+](C)[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000489284489 852186653 /nfs/dbraw/zinc/18/66/53/852186653.db2.gz COPDTOXRNBYSCC-QFIPXVFZSA-N 2 1 381.520 3.793 20 0 GHADMP C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517650888 852206848 /nfs/dbraw/zinc/20/68/48/852206848.db2.gz DAAXCODUWPZSJR-CQSZACIVSA-N 2 1 390.940 3.606 20 0 GHADMP C[C@@H]1[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961072 852217065 /nfs/dbraw/zinc/21/70/65/852217065.db2.gz FBVJRRUYRKTETB-XAOHYQHJSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000438306864 852243371 /nfs/dbraw/zinc/24/33/71/852243371.db2.gz QQQCXXDKXZHWAP-JQVVWYNYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000438306864 852243377 /nfs/dbraw/zinc/24/33/77/852243377.db2.gz QQQCXXDKXZHWAP-JQVVWYNYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000438306864 852243385 /nfs/dbraw/zinc/24/33/85/852243385.db2.gz QQQCXXDKXZHWAP-JQVVWYNYSA-N 2 1 390.616 3.736 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000516242704 852316726 /nfs/dbraw/zinc/31/67/26/852316726.db2.gz OICUSTGNRPAVQK-HSALFYBXSA-N 2 1 388.600 3.692 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000516242704 852316735 /nfs/dbraw/zinc/31/67/35/852316735.db2.gz OICUSTGNRPAVQK-HSALFYBXSA-N 2 1 388.600 3.692 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000516242704 852316743 /nfs/dbraw/zinc/31/67/43/852316743.db2.gz OICUSTGNRPAVQK-HSALFYBXSA-N 2 1 388.600 3.692 20 0 GHADMP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489677678 852526566 /nfs/dbraw/zinc/52/65/66/852526566.db2.gz LCSMSZUOBLSAHO-NRFANRHFSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000489753988 852571960 /nfs/dbraw/zinc/57/19/60/852571960.db2.gz IIDRMXHQPHXOCC-COPCDDAFSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCN1C(=O)OC(C)(C)C ZINC001167961483 852573845 /nfs/dbraw/zinc/57/38/45/852573845.db2.gz LYHCHJCAXHQFCF-NTHMGXEOSA-N 2 1 377.573 3.769 20 0 GHADMP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000517892448 852583703 /nfs/dbraw/zinc/58/37/03/852583703.db2.gz OSCLAVWEHDCOGD-OAQYLSRUSA-N 2 1 396.922 3.661 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000437147723 852796978 /nfs/dbraw/zinc/79/69/78/852796978.db2.gz OBUISPLUTZDRPO-FDFHNCONSA-N 2 1 380.536 3.533 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000437147723 852796982 /nfs/dbraw/zinc/79/69/82/852796982.db2.gz OBUISPLUTZDRPO-FDFHNCONSA-N 2 1 380.536 3.533 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000507393051 852855644 /nfs/dbraw/zinc/85/56/44/852855644.db2.gz VSYROSZZOWZTPC-RTBURBONSA-N 2 1 392.613 3.552 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cc1O ZINC000426173339 852917798 /nfs/dbraw/zinc/91/77/98/852917798.db2.gz STNUWIXGGUXSJD-SFHVURJKSA-N 2 1 390.568 3.735 20 0 GHADMP O=C(C[C@H]1CCC[NH2+]CC1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000427272186 852922182 /nfs/dbraw/zinc/92/21/82/852922182.db2.gz BYFYLMDPTNCICK-INIZCTEOSA-N 2 1 397.485 3.566 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000518295510 853171263 /nfs/dbraw/zinc/17/12/63/853171263.db2.gz RAADTQZCSOENNU-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCC1(F)F ZINC000506054995 853177070 /nfs/dbraw/zinc/17/70/70/853177070.db2.gz GMERDLPBHYMELH-ICSRJNTNSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506054995 853177074 /nfs/dbraw/zinc/17/70/74/853177074.db2.gz GMERDLPBHYMELH-ICSRJNTNSA-N 2 1 393.522 3.525 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000506054995 853177077 /nfs/dbraw/zinc/17/70/77/853177077.db2.gz GMERDLPBHYMELH-ICSRJNTNSA-N 2 1 393.522 3.525 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]21 ZINC001167987094 853228642 /nfs/dbraw/zinc/22/86/42/853228642.db2.gz JZIPPCRWPHMWBR-XAAMQAMVSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]21 ZINC001167987094 853228653 /nfs/dbraw/zinc/22/86/53/853228653.db2.gz JZIPPCRWPHMWBR-XAAMQAMVSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]21 ZINC001167987094 853228661 /nfs/dbraw/zinc/22/86/61/853228661.db2.gz JZIPPCRWPHMWBR-XAAMQAMVSA-N 2 1 389.584 3.723 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]21 ZINC001167987094 853228668 /nfs/dbraw/zinc/22/86/68/853228668.db2.gz JZIPPCRWPHMWBR-XAAMQAMVSA-N 2 1 389.584 3.723 20 0 GHADMP C[C@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518341823 853239424 /nfs/dbraw/zinc/23/94/24/853239424.db2.gz LMXJPOHELYCICI-QFBILLFUSA-N 2 1 396.510 3.504 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473760 853241615 /nfs/dbraw/zinc/24/16/15/853241615.db2.gz JHTLMHFONUYKJZ-WSTZPKSXSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473760 853241621 /nfs/dbraw/zinc/24/16/21/853241621.db2.gz JHTLMHFONUYKJZ-WSTZPKSXSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473760 853241630 /nfs/dbraw/zinc/24/16/30/853241630.db2.gz JHTLMHFONUYKJZ-WSTZPKSXSA-N 2 1 380.960 3.666 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000506473760 853241636 /nfs/dbraw/zinc/24/16/36/853241636.db2.gz JHTLMHFONUYKJZ-WSTZPKSXSA-N 2 1 380.960 3.666 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439142937 853339295 /nfs/dbraw/zinc/33/92/95/853339295.db2.gz XOHPOWPTZQYHQF-WMLDXEAASA-N 2 1 387.387 3.644 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439142938 853339426 /nfs/dbraw/zinc/33/94/26/853339426.db2.gz XOHPOWPTZQYHQF-YOEHRIQHSA-N 2 1 387.387 3.644 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437632421 853340768 /nfs/dbraw/zinc/34/07/68/853340768.db2.gz GQLWEIFGQIRAAN-TZIWHRDSSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437632421 853340776 /nfs/dbraw/zinc/34/07/76/853340776.db2.gz GQLWEIFGQIRAAN-TZIWHRDSSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437632421 853340780 /nfs/dbraw/zinc/34/07/80/853340780.db2.gz GQLWEIFGQIRAAN-TZIWHRDSSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ncc(C(F)(F)F)cc1Cl ZINC000925023106 853392201 /nfs/dbraw/zinc/39/22/01/853392201.db2.gz KWOQYSRQEOVNMU-JSGCOSHPSA-N 2 1 379.854 3.641 20 0 GHADMP Cc1ccc(-c2ccc(C[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)s2)cc1 ZINC000519793844 853478397 /nfs/dbraw/zinc/47/83/97/853478397.db2.gz SOZZRBAHRTVDAK-UHFFFAOYSA-N 2 1 397.588 3.710 20 0 GHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(c3cc(C)nc(C(C)C)n3)CC2)c1 ZINC000506129291 853525294 /nfs/dbraw/zinc/52/52/94/853525294.db2.gz VADMSMLYJMBNFT-UHFFFAOYSA-N 2 1 390.535 3.929 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@@H]2C1 ZINC001167962279 853532443 /nfs/dbraw/zinc/53/24/43/853532443.db2.gz WCOGSOIVLYTKGC-ZYFSCKJDSA-N 2 1 389.584 3.627 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000519882328 853580031 /nfs/dbraw/zinc/58/00/31/853580031.db2.gz PXVZOMCDLXQZCS-PTUXOGIPSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000519882328 853580040 /nfs/dbraw/zinc/58/00/40/853580040.db2.gz PXVZOMCDLXQZCS-PTUXOGIPSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000519882328 853580050 /nfs/dbraw/zinc/58/00/50/853580050.db2.gz PXVZOMCDLXQZCS-PTUXOGIPSA-N 2 1 377.532 3.603 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506559243 853612226 /nfs/dbraw/zinc/61/22/26/853612226.db2.gz BFTFENFYIKWYHR-OYRHEFFESA-N 2 1 387.612 3.853 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506559243 853612229 /nfs/dbraw/zinc/61/22/29/853612229.db2.gz BFTFENFYIKWYHR-OYRHEFFESA-N 2 1 387.612 3.853 20 0 GHADMP Brc1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167962350 853676640 /nfs/dbraw/zinc/67/66/40/853676640.db2.gz WYBSIAHDFMRCKA-AYHJJNSGSA-N 2 1 379.342 3.823 20 0 GHADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000261993882 853718439 /nfs/dbraw/zinc/71/84/39/853718439.db2.gz NEDSTMPHMGRSMA-MRXNPFEDSA-N 2 1 378.586 3.519 20 0 GHADMP c1cncc(C[C@H]2[C@@H](OCC3CC3)CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167988980 853792764 /nfs/dbraw/zinc/79/27/64/853792764.db2.gz WDTKSBNKRHWFTL-NIYYFLRXSA-N 2 1 395.591 3.899 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623887829 862500817 /nfs/dbraw/zinc/50/08/17/862500817.db2.gz PCTFXNAJKYBCMO-CQSZACIVSA-N 2 1 375.454 3.769 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cccc(C2CC2)c1 ZINC000571578973 853934086 /nfs/dbraw/zinc/93/40/86/853934086.db2.gz FDDOVUAJAXXROP-UHFFFAOYSA-N 2 1 383.580 3.832 20 0 GHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520177973 853936237 /nfs/dbraw/zinc/93/62/37/853936237.db2.gz STUHCSMWHYZNHT-HXUWFJFHSA-N 2 1 381.520 3.608 20 0 GHADMP Fc1ccc(-c2nn(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)c3c2CC[NH2+]CC3)cc1 ZINC001167989334 854018124 /nfs/dbraw/zinc/01/81/24/854018124.db2.gz XNRFMZQPWYNTPJ-WCRBZPEASA-N 2 1 394.538 3.955 20 0 GHADMP c1cncc(OC[C@@]23CCC[C@@H]2C[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)C3)c1 ZINC001167989335 854018342 /nfs/dbraw/zinc/01/83/42/854018342.db2.gz XOHPWOWDZGAESI-UVINLSLCSA-N 2 1 381.564 3.968 20 0 GHADMP c1cncc(OC[C@@]23CCC[C@@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)C3)c1 ZINC001167989335 854018346 /nfs/dbraw/zinc/01/83/46/854018346.db2.gz XOHPWOWDZGAESI-UVINLSLCSA-N 2 1 381.564 3.968 20 0 GHADMP c1cncc(OC[C@@]23CCC[C@@H]2C[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)C3)c1 ZINC001167989335 854018351 /nfs/dbraw/zinc/01/83/51/854018351.db2.gz XOHPWOWDZGAESI-UVINLSLCSA-N 2 1 381.564 3.968 20 0 GHADMP O=C1C[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993996 854427356 /nfs/dbraw/zinc/42/73/56/854427356.db2.gz VTJSCWZHLZWHFS-INXDJGNKSA-N 2 1 397.538 3.660 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993996 854427363 /nfs/dbraw/zinc/42/73/63/854427363.db2.gz VTJSCWZHLZWHFS-INXDJGNKSA-N 2 1 397.538 3.660 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)CN1c1cccc(F)c1 ZINC001167993996 854427369 /nfs/dbraw/zinc/42/73/69/854427369.db2.gz VTJSCWZHLZWHFS-INXDJGNKSA-N 2 1 397.538 3.660 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994433 854436456 /nfs/dbraw/zinc/43/64/56/854436456.db2.gz CYUJEKLKOUNGFD-SKPIHXQZSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994433 854436461 /nfs/dbraw/zinc/43/64/61/854436461.db2.gz CYUJEKLKOUNGFD-SKPIHXQZSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994433 854436470 /nfs/dbraw/zinc/43/64/70/854436470.db2.gz CYUJEKLKOUNGFD-SKPIHXQZSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994433 854436477 /nfs/dbraw/zinc/43/64/77/854436477.db2.gz CYUJEKLKOUNGFD-SKPIHXQZSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994427 854436788 /nfs/dbraw/zinc/43/67/88/854436788.db2.gz CYUJEKLKOUNGFD-DZUNGVIMSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994427 854436793 /nfs/dbraw/zinc/43/67/93/854436793.db2.gz CYUJEKLKOUNGFD-DZUNGVIMSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994427 854436798 /nfs/dbraw/zinc/43/67/98/854436798.db2.gz CYUJEKLKOUNGFD-DZUNGVIMSA-N 2 1 377.573 3.769 20 0 GHADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994427 854436803 /nfs/dbraw/zinc/43/68/03/854436803.db2.gz CYUJEKLKOUNGFD-DZUNGVIMSA-N 2 1 377.573 3.769 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)C[C@@H]1C ZINC000458897205 854478312 /nfs/dbraw/zinc/47/83/12/854478312.db2.gz OZQLUEWUMLKLNC-XKGZKEIXSA-N 2 1 392.613 3.525 20 0 GHADMP COc1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4[nH+]cccc4C)CC3)CCO2)cc1 ZINC001168602216 854647032 /nfs/dbraw/zinc/64/70/32/854647032.db2.gz RPRRNSIBLCTJJU-IFMALSPDSA-N 2 1 381.520 3.877 20 0 GHADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000125056399 854684209 /nfs/dbraw/zinc/68/42/09/854684209.db2.gz QTWDOGIAANIALC-OAHLLOKOSA-N 2 1 379.426 3.802 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2CCn3cc(C)[nH+]c3C2)n1 ZINC000624441712 854806885 /nfs/dbraw/zinc/80/68/85/854806885.db2.gz QLSUBIGLJKKFIH-QGZVFWFLSA-N 2 1 395.507 3.692 20 0 GHADMP Brc1ccc(/C=C\CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000624046915 862612780 /nfs/dbraw/zinc/61/27/80/862612780.db2.gz PWFOYEJYPSPYKE-PJXRAHGQSA-N 2 1 379.342 3.695 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000482021224 862615189 /nfs/dbraw/zinc/61/51/89/862615189.db2.gz LFCUNUMVRZBCKA-JOCHJYFZSA-N 2 1 383.536 3.690 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000624052758 862615356 /nfs/dbraw/zinc/61/53/56/862615356.db2.gz OTDZQKZDUXHQQM-ZIFCJYIRSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000624052758 862615360 /nfs/dbraw/zinc/61/53/60/862615360.db2.gz OTDZQKZDUXHQQM-ZIFCJYIRSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1nc(Br)cc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000785441690 854940356 /nfs/dbraw/zinc/94/03/56/854940356.db2.gz LRGFUUCTJKCJFN-UHFFFAOYSA-N 2 1 391.357 3.848 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458972710 854991904 /nfs/dbraw/zinc/99/19/04/854991904.db2.gz KWCLTSONQJYPNW-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441466711 855069781 /nfs/dbraw/zinc/06/97/81/855069781.db2.gz UIMAJIZUXBHDJO-IFMALSPDSA-N 2 1 388.596 3.840 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441466711 855069786 /nfs/dbraw/zinc/06/97/86/855069786.db2.gz UIMAJIZUXBHDJO-IFMALSPDSA-N 2 1 388.596 3.840 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000589746616 855137546 /nfs/dbraw/zinc/13/75/46/855137546.db2.gz HXRLMKBXWGMSRA-UHFFFAOYSA-N 2 1 388.600 3.659 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000237180557 855570407 /nfs/dbraw/zinc/57/04/07/855570407.db2.gz QSKKORGMLHDDNJ-UHFFFAOYSA-N 2 1 377.488 3.528 20 0 GHADMP COc1ccc([C@@H](NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C(C)C)cc1 ZINC000590786543 855586983 /nfs/dbraw/zinc/58/69/83/855586983.db2.gz DROGHIIEUMVLJR-QHCPKHFHSA-N 2 1 389.584 3.561 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000590818856 855620370 /nfs/dbraw/zinc/62/03/70/855620370.db2.gz AWVVHZNJZXHAAR-INIZCTEOSA-N 2 1 389.367 3.785 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591438842 855987160 /nfs/dbraw/zinc/98/71/60/855987160.db2.gz NJKVUKDGAFURKO-OALUTQOASA-N 2 1 398.551 3.511 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591438842 855987169 /nfs/dbraw/zinc/98/71/69/855987169.db2.gz NJKVUKDGAFURKO-OALUTQOASA-N 2 1 398.551 3.511 20 0 GHADMP Fc1cc2[nH]cc(CC[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2cc1Cl ZINC000624291053 856009370 /nfs/dbraw/zinc/00/93/70/856009370.db2.gz KXBULLJHMXGAKS-INIZCTEOSA-N 2 1 379.907 3.736 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000482156873 862751458 /nfs/dbraw/zinc/75/14/58/862751458.db2.gz JOTIHCDZHQGSCH-YXYSEUPNSA-N 2 1 387.568 3.505 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnn(CC4CCC4)c3)CC2)cs1 ZINC000921725225 856065395 /nfs/dbraw/zinc/06/53/95/856065395.db2.gz OEINFHITBVTIED-UHFFFAOYSA-N 2 1 387.597 3.704 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)[C@H]1c1cccs1 ZINC000905136559 856181987 /nfs/dbraw/zinc/18/19/87/856181987.db2.gz ZNWUUSMWNLLJIS-FGSXEWAUSA-N 2 1 399.560 3.642 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc3cc[nH]c3c2)[C@H]1c1cccs1 ZINC000905136559 856181990 /nfs/dbraw/zinc/18/19/90/856181990.db2.gz ZNWUUSMWNLLJIS-FGSXEWAUSA-N 2 1 399.560 3.642 20 0 GHADMP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459170845 856205149 /nfs/dbraw/zinc/20/51/49/856205149.db2.gz XDNYXQSTGGEKCG-KNQAVFIVSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000459170845 856205154 /nfs/dbraw/zinc/20/51/54/856205154.db2.gz XDNYXQSTGGEKCG-KNQAVFIVSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000459170845 856205166 /nfs/dbraw/zinc/20/51/66/856205166.db2.gz XDNYXQSTGGEKCG-KNQAVFIVSA-N 2 1 386.584 3.728 20 0 GHADMP CC[C@@]1(C(C)C)C[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459173920 856215495 /nfs/dbraw/zinc/21/54/95/856215495.db2.gz YAVAVEXNFXKQSC-GGAORHGYSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671590 856404771 /nfs/dbraw/zinc/40/47/71/856404771.db2.gz GJKPXTDQJBMNFZ-OWCLPIDISA-N 2 1 386.565 3.866 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671590 856404786 /nfs/dbraw/zinc/40/47/86/856404786.db2.gz GJKPXTDQJBMNFZ-OWCLPIDISA-N 2 1 386.565 3.866 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000172518849 856464602 /nfs/dbraw/zinc/46/46/02/856464602.db2.gz PTWFNWRYZSRLON-YLJYHZDGSA-N 2 1 392.975 3.603 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(F)cc1 ZINC000485466440 856609750 /nfs/dbraw/zinc/60/97/50/856609750.db2.gz KAOIIKIJDNWLTK-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1ccc(F)cc1 ZINC000485466440 856609756 /nfs/dbraw/zinc/60/97/56/856609756.db2.gz KAOIIKIJDNWLTK-UHFFFAOYSA-N 2 1 381.495 3.752 20 0 GHADMP CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000605165557 862817604 /nfs/dbraw/zinc/81/76/04/862817604.db2.gz JJUKIPMLJRMICJ-YLJYHZDGSA-N 2 1 397.485 3.689 20 0 GHADMP CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000605165557 862817618 /nfs/dbraw/zinc/81/76/18/862817618.db2.gz JJUKIPMLJRMICJ-YLJYHZDGSA-N 2 1 397.485 3.689 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000542885203 856651757 /nfs/dbraw/zinc/65/17/57/856651757.db2.gz UZSVPVREKIRADZ-FOIQADDNSA-N 2 1 385.895 3.925 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000110796510 856668591 /nfs/dbraw/zinc/66/85/91/856668591.db2.gz MMWXZYRSMKIFSV-UHFFFAOYSA-N 2 1 391.559 3.810 20 0 GHADMP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000181287247 862823441 /nfs/dbraw/zinc/82/34/41/862823441.db2.gz YWSXKXQAZLNEEW-OXJNMPFZSA-N 2 1 390.487 3.645 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465909964 856892289 /nfs/dbraw/zinc/89/22/89/856892289.db2.gz YOZCBSGTABBEIH-HLNWXESRSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465909964 856892296 /nfs/dbraw/zinc/89/22/96/856892296.db2.gz YOZCBSGTABBEIH-HLNWXESRSA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465909964 856892302 /nfs/dbraw/zinc/89/23/02/856892302.db2.gz YOZCBSGTABBEIH-HLNWXESRSA-N 2 1 392.613 3.693 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000520792942 857054786 /nfs/dbraw/zinc/05/47/86/857054786.db2.gz JFSXOXGPCDCATB-SFHVURJKSA-N 2 1 377.548 3.617 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000675195167 857079117 /nfs/dbraw/zinc/07/91/17/857079117.db2.gz SYHRGLOEWRDTTB-NNWRFLSQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000665257656 857148652 /nfs/dbraw/zinc/14/86/52/857148652.db2.gz PHNYVMRROHVJJO-JJEOQYAHSA-N 2 1 385.527 3.562 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465945726 857183208 /nfs/dbraw/zinc/18/32/08/857183208.db2.gz AQPNWNUKDCGWKG-NSHGMRRFSA-N 2 1 392.613 3.695 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465945726 857183211 /nfs/dbraw/zinc/18/32/11/857183211.db2.gz AQPNWNUKDCGWKG-NSHGMRRFSA-N 2 1 392.613 3.695 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465945726 857183222 /nfs/dbraw/zinc/18/32/22/857183222.db2.gz AQPNWNUKDCGWKG-NSHGMRRFSA-N 2 1 392.613 3.695 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000174267623 857240225 /nfs/dbraw/zinc/24/02/25/857240225.db2.gz MKHJRILWOKQMRU-UHFFFAOYSA-N 2 1 381.564 3.870 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000766122776 857269603 /nfs/dbraw/zinc/26/96/03/857269603.db2.gz OJJYPTOHKNDYIG-XPWALMASSA-N 2 1 380.532 3.545 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000766122776 857269635 /nfs/dbraw/zinc/26/96/35/857269635.db2.gz OJJYPTOHKNDYIG-XPWALMASSA-N 2 1 380.532 3.545 20 0 GHADMP O=C(CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc21 ZINC000174382297 857278986 /nfs/dbraw/zinc/27/89/86/857278986.db2.gz PJYDTHJYJYWGEB-UHFFFAOYSA-N 2 1 377.532 3.610 20 0 GHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000281224864 862895602 /nfs/dbraw/zinc/89/56/02/862895602.db2.gz LXAGMHAFBGIGQJ-FQEVSTJZSA-N 2 1 387.499 3.928 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000059003487 857386094 /nfs/dbraw/zinc/38/60/94/857386094.db2.gz SESXESFYWRTTAM-UHFFFAOYSA-N 2 1 389.584 3.600 20 0 GHADMP CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675580054 857513137 /nfs/dbraw/zinc/51/31/37/857513137.db2.gz RQDWOURRDPPXFE-QHCPKHFHSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000672603032 857523375 /nfs/dbraw/zinc/52/33/75/857523375.db2.gz NPTOSOWLVPFRTH-PZJWPPBQSA-N 2 1 375.520 3.830 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000675750497 857587332 /nfs/dbraw/zinc/58/73/32/857587332.db2.gz BJZKNXMFOJNNGT-WMZHIEFXSA-N 2 1 379.548 3.969 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000675750497 857587343 /nfs/dbraw/zinc/58/73/43/857587343.db2.gz BJZKNXMFOJNNGT-WMZHIEFXSA-N 2 1 379.548 3.969 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000672696903 857605273 /nfs/dbraw/zinc/60/52/73/857605273.db2.gz OMAWDVLCQBUOPK-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H](C)C1 ZINC000675773878 857605734 /nfs/dbraw/zinc/60/57/34/857605734.db2.gz GBKGKNZGBYYGRI-SVMVAKDDSA-N 2 1 395.538 3.518 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064226969 857685921 /nfs/dbraw/zinc/68/59/21/857685921.db2.gz SCCBETDQRBWUBT-KDURUIRLSA-N 2 1 388.600 3.694 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064226969 857685929 /nfs/dbraw/zinc/68/59/29/857685929.db2.gz SCCBETDQRBWUBT-KDURUIRLSA-N 2 1 388.600 3.694 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064226969 857685934 /nfs/dbraw/zinc/68/59/34/857685934.db2.gz SCCBETDQRBWUBT-KDURUIRLSA-N 2 1 388.600 3.694 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000521585550 858130595 /nfs/dbraw/zinc/13/05/95/858130595.db2.gz PUWCGOCNPYPRCK-HNNXBMFYSA-N 2 1 375.476 3.709 20 0 GHADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cs2)cs1 ZINC000442865464 858184669 /nfs/dbraw/zinc/18/46/69/858184669.db2.gz FXTKMEXTBNHFIB-CQSZACIVSA-N 2 1 378.611 3.857 20 0 GHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(OCc2ccccc2)c1 ZINC000442871331 858188673 /nfs/dbraw/zinc/18/86/73/858188673.db2.gz FQAPVWBAAARQQQ-FQEVSTJZSA-N 2 1 381.564 3.942 20 0 GHADMP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442872549 858189615 /nfs/dbraw/zinc/18/96/15/858189615.db2.gz JSEJKMXRPBUQHZ-OAHLLOKOSA-N 2 1 390.572 3.934 20 0 GHADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCC2 ZINC000594496099 858191138 /nfs/dbraw/zinc/19/11/38/858191138.db2.gz GYJGENXCYSLWSS-NRFANRHFSA-N 2 1 394.519 3.516 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1cnc(-c2ccccc2)n1 ZINC000092295614 858199703 /nfs/dbraw/zinc/19/97/03/858199703.db2.gz ITXCLJUSIGXLLQ-UHFFFAOYSA-N 2 1 376.508 3.536 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000521791668 858328070 /nfs/dbraw/zinc/32/80/70/858328070.db2.gz XRWJKFFSNHORNV-BGYRXZFFSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000521791668 858328074 /nfs/dbraw/zinc/32/80/74/858328074.db2.gz XRWJKFFSNHORNV-BGYRXZFFSA-N 2 1 395.547 3.504 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2csc(-c3ccccc3)n2)c2cccs2)CC1 ZINC000521805599 858331110 /nfs/dbraw/zinc/33/11/10/858331110.db2.gz LXFLMGHFWJYCCR-LJQANCHMSA-N 2 1 398.601 3.950 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067402 858334564 /nfs/dbraw/zinc/33/45/64/858334564.db2.gz GLXCAUHWJOGVME-VXGBXAGGSA-N 2 1 377.838 3.747 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595013321 858350036 /nfs/dbraw/zinc/35/00/36/858350036.db2.gz RXZAQXLOQCLFNZ-SJCJKPOMSA-N 2 1 395.288 3.709 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C(F)(F)F)nn3C)cc2)C1 ZINC000657310852 858485428 /nfs/dbraw/zinc/48/54/28/858485428.db2.gz PSIFQASCGQRSDZ-HNNXBMFYSA-N 2 1 380.458 3.961 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000508418277 858519715 /nfs/dbraw/zinc/51/97/15/858519715.db2.gz AMNWEJBTJZDYBR-UYAOXDASSA-N 2 1 394.629 3.891 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000522032269 858551070 /nfs/dbraw/zinc/55/10/70/858551070.db2.gz ZDHXBNBBJQVMSJ-QFIPXVFZSA-N 2 1 381.520 3.620 20 0 GHADMP Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000522097515 858617418 /nfs/dbraw/zinc/61/74/18/858617418.db2.gz GGHJPTWTBGHPHA-HXUWFJFHSA-N 2 1 379.548 3.900 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000443418056 858667461 /nfs/dbraw/zinc/66/74/61/858667461.db2.gz RLBFYOSEWQNQOY-MJGOQNOKSA-N 2 1 386.540 3.551 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000466210514 858725995 /nfs/dbraw/zinc/72/59/95/858725995.db2.gz MQKABDJDZNIYAP-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466210514 858726007 /nfs/dbraw/zinc/72/60/07/858726007.db2.gz MQKABDJDZNIYAP-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466210514 858726017 /nfs/dbraw/zinc/72/60/17/858726017.db2.gz MQKABDJDZNIYAP-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC000466218176 858733686 /nfs/dbraw/zinc/73/36/86/858733686.db2.gz RQGAIUGLMHKSQY-FDDCHVKYSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000466218176 858733693 /nfs/dbraw/zinc/73/36/93/858733693.db2.gz RQGAIUGLMHKSQY-FDDCHVKYSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000466218176 858733704 /nfs/dbraw/zinc/73/37/04/858733704.db2.gz RQGAIUGLMHKSQY-FDDCHVKYSA-N 2 1 398.595 3.733 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000783514056 858764989 /nfs/dbraw/zinc/76/49/89/858764989.db2.gz PLBAVOVSZMARAD-ZCNNSNEGSA-N 2 1 397.604 3.503 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000474075730 858792003 /nfs/dbraw/zinc/79/20/03/858792003.db2.gz WGXJCXXSOAGLCW-IEXUWNMDSA-N 2 1 394.559 3.890 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000474075730 858792012 /nfs/dbraw/zinc/79/20/12/858792012.db2.gz WGXJCXXSOAGLCW-IEXUWNMDSA-N 2 1 394.559 3.890 20 0 GHADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000183695826 858799855 /nfs/dbraw/zinc/79/98/55/858799855.db2.gz NCGPAWCVHXPUCB-XMMPIXPASA-N 2 1 385.596 3.755 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC2CCCCC2)[C@H](C)C1 ZINC000482877307 858936821 /nfs/dbraw/zinc/93/68/21/858936821.db2.gz QWRCLQAVXSNAMA-MZYLBHOOSA-N 2 1 379.633 3.758 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000482877307 858936832 /nfs/dbraw/zinc/93/68/32/858936832.db2.gz QWRCLQAVXSNAMA-MZYLBHOOSA-N 2 1 379.633 3.758 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)[C@H](C)C1 ZINC000482877307 858936842 /nfs/dbraw/zinc/93/68/42/858936842.db2.gz QWRCLQAVXSNAMA-MZYLBHOOSA-N 2 1 379.633 3.758 20 0 GHADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000482897851 858959893 /nfs/dbraw/zinc/95/98/93/858959893.db2.gz HYIZTDXKJNNIGH-HSZRJFAPSA-N 2 1 397.563 3.832 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)c1 ZINC000466284215 858980198 /nfs/dbraw/zinc/98/01/98/858980198.db2.gz ZHUBCNCGBDIDJS-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000466284215 858980206 /nfs/dbraw/zinc/98/02/06/858980206.db2.gz ZHUBCNCGBDIDJS-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000466284215 858980208 /nfs/dbraw/zinc/98/02/08/858980208.db2.gz ZHUBCNCGBDIDJS-AUSIDOKSSA-N 2 1 394.563 3.601 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc[nH+]c(N4CCOCC4)c2)C3)cc1 ZINC001170331487 881371996 /nfs/dbraw/zinc/37/19/96/881371996.db2.gz VJBDEFFZLQFONG-DKUWSORSSA-N 2 1 378.520 3.526 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000466300099 859023999 /nfs/dbraw/zinc/02/39/99/859023999.db2.gz WCFXKDWENYJIBA-VXKWHMMOSA-N 2 1 390.616 3.549 20 0 GHADMP COc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1Br ZINC000389056774 859034408 /nfs/dbraw/zinc/03/44/08/859034408.db2.gz IHDQVCSLKJCSTE-SNVBAGLBSA-N 2 1 394.151 3.508 20 0 GHADMP O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443606548 859042880 /nfs/dbraw/zinc/04/28/80/859042880.db2.gz RRPSDLFZYHOIPS-JOCHJYFZSA-N 2 1 387.543 3.733 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4c(s3)CCCC4)C2)ccn1 ZINC000856552858 881376161 /nfs/dbraw/zinc/37/61/61/881376161.db2.gz QIRPKZUJYGFVLR-SFHVURJKSA-N 2 1 386.565 3.522 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4c(s3)CCCC4)C2)ccn1 ZINC000856552858 881376190 /nfs/dbraw/zinc/37/61/90/881376190.db2.gz QIRPKZUJYGFVLR-SFHVURJKSA-N 2 1 386.565 3.522 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc4c(s3)CCCC4)C2)ccn1 ZINC000856552858 881376230 /nfs/dbraw/zinc/37/62/30/881376230.db2.gz QIRPKZUJYGFVLR-SFHVURJKSA-N 2 1 386.565 3.522 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc4c(s3)CCCC4)C2)ccn1 ZINC000856552858 881376264 /nfs/dbraw/zinc/37/62/64/881376264.db2.gz QIRPKZUJYGFVLR-SFHVURJKSA-N 2 1 386.565 3.522 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000568163967 859059773 /nfs/dbraw/zinc/05/97/73/859059773.db2.gz FSTIAVDWXOOPJP-QGZVFWFLSA-N 2 1 395.288 3.794 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000568163967 859059783 /nfs/dbraw/zinc/05/97/83/859059783.db2.gz FSTIAVDWXOOPJP-QGZVFWFLSA-N 2 1 395.288 3.794 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC000483002309 859062158 /nfs/dbraw/zinc/06/21/58/859062158.db2.gz UPSAJCUNKYUPHA-UNMCSNQZSA-N 2 1 384.568 3.663 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000522338331 859077833 /nfs/dbraw/zinc/07/78/33/859077833.db2.gz LUEBZEGGZBUUJQ-MOPGFXCFSA-N 2 1 392.613 3.551 20 0 GHADMP COC(=O)c1ccc(OCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185667902 859114992 /nfs/dbraw/zinc/11/49/92/859114992.db2.gz KDZDJYAMYFPXPO-RDJZCZTQSA-N 2 1 394.943 3.748 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711673 859118882 /nfs/dbraw/zinc/11/88/82/859118882.db2.gz JKCNOOMQBBEQSH-LZLYRXPVSA-N 2 1 393.522 3.727 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711673 859118886 /nfs/dbraw/zinc/11/88/86/859118886.db2.gz JKCNOOMQBBEQSH-LZLYRXPVSA-N 2 1 393.522 3.727 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000509348147 859131480 /nfs/dbraw/zinc/13/14/80/859131480.db2.gz KTTWRUHDULMXLL-ZDXQCDESSA-N 2 1 384.612 3.536 20 0 GHADMP C[C@H]1CC([NH2+][C@@H](CO)COCc2ccccc2)C[C@H](C)N1Cc1ccccc1 ZINC001168024125 859139484 /nfs/dbraw/zinc/13/94/84/859139484.db2.gz ZZZMZVYYLGFPSU-SKPFHBQLSA-N 2 1 382.548 3.595 20 0 GHADMP C[C@H]1CC([NH2+][C@@H](CO)COCc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024125 859139494 /nfs/dbraw/zinc/13/94/94/859139494.db2.gz ZZZMZVYYLGFPSU-SKPFHBQLSA-N 2 1 382.548 3.595 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(OC(C)C)c3)C2)ccn1 ZINC000856554071 881390036 /nfs/dbraw/zinc/39/00/36/881390036.db2.gz OTDKLPGJLGILIX-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(OC(C)C)c3)C2)ccn1 ZINC000856554071 881390050 /nfs/dbraw/zinc/39/00/50/881390050.db2.gz OTDKLPGJLGILIX-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(OC(C)C)c3)C2)ccn1 ZINC000856554071 881390062 /nfs/dbraw/zinc/39/00/62/881390062.db2.gz OTDKLPGJLGILIX-HSZRJFAPSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3CCc3ccccc3)CC2)CC1 ZINC000568193377 859193844 /nfs/dbraw/zinc/19/38/44/859193844.db2.gz HQDKIRPHZAVQLF-XMMPIXPASA-N 2 1 397.607 3.807 20 0 GHADMP CCc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000189016055 881395233 /nfs/dbraw/zinc/39/52/33/881395233.db2.gz OHBJTCVSCQVVKS-GOTSBHOMSA-N 2 1 385.596 3.587 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000191507742 859227544 /nfs/dbraw/zinc/22/75/44/859227544.db2.gz XSRNFYLJWYISLN-QZTJIDSGSA-N 2 1 388.581 3.971 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000191507742 859227553 /nfs/dbraw/zinc/22/75/53/859227553.db2.gz XSRNFYLJWYISLN-QZTJIDSGSA-N 2 1 388.581 3.971 20 0 GHADMP O[C@@H](C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923335419 859232221 /nfs/dbraw/zinc/23/22/21/859232221.db2.gz MUEUDVOXJQDDHS-PXNSSMCTSA-N 2 1 377.891 3.552 20 0 GHADMP O[C@@H](C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000923335419 859232231 /nfs/dbraw/zinc/23/22/31/859232231.db2.gz MUEUDVOXJQDDHS-PXNSSMCTSA-N 2 1 377.891 3.552 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC[NH+]1CC=CCC1)C1CCCCC1 ZINC000474143947 859281181 /nfs/dbraw/zinc/28/11/81/859281181.db2.gz WPCAMMMVFBEIGH-UHFFFAOYSA-N 2 1 384.568 3.512 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NCC[N@H+]1CC=CCC1)C1CCCCC1 ZINC000474143947 859281189 /nfs/dbraw/zinc/28/11/89/859281189.db2.gz WPCAMMMVFBEIGH-UHFFFAOYSA-N 2 1 384.568 3.512 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NCC[N@@H+]1CC=CCC1)C1CCCCC1 ZINC000474143947 859281198 /nfs/dbraw/zinc/28/11/98/859281198.db2.gz WPCAMMMVFBEIGH-UHFFFAOYSA-N 2 1 384.568 3.512 20 0 GHADMP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000194956769 859336589 /nfs/dbraw/zinc/33/65/89/859336589.db2.gz QMOBXZJJVWMTKB-OFNKIYASSA-N 2 1 380.532 3.819 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1 ZINC000483412197 859347168 /nfs/dbraw/zinc/34/71/68/859347168.db2.gz SFUHFRDDFWNHBH-NHCUHLMSSA-N 2 1 389.609 3.570 20 0 GHADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000543673347 859362114 /nfs/dbraw/zinc/36/21/14/859362114.db2.gz JNKORMOVQHOUFO-JJXTWPQTSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)CC[NH2+]C(C)(C)C ZINC001129287705 859473126 /nfs/dbraw/zinc/47/31/26/859473126.db2.gz KRKXTBFIUDDDSU-JOCHJYFZSA-N 2 1 387.612 3.956 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C(F)(F)F)cn1 ZINC000466444144 859521479 /nfs/dbraw/zinc/52/14/79/859521479.db2.gz RFMMUYWLIIXSJG-UHFFFAOYSA-N 2 1 384.490 3.733 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Oc4ccc(OC)cc4)cc3)C2)CC1 ZINC000543395711 859558476 /nfs/dbraw/zinc/55/84/76/859558476.db2.gz ROWDOEBJJWFZAU-OAQYLSRUSA-N 2 1 395.547 3.699 20 0 GHADMP [NH3+][C@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417577028 859603118 /nfs/dbraw/zinc/60/31/18/859603118.db2.gz VVTMPKUGKYNMMC-GOEBONIOSA-N 2 1 399.366 3.527 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC000114455379 859613624 /nfs/dbraw/zinc/61/36/24/859613624.db2.gz QEDNGAPECPANKR-UHFFFAOYSA-N 2 1 397.485 3.659 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC000114455379 859613630 /nfs/dbraw/zinc/61/36/30/859613630.db2.gz QEDNGAPECPANKR-UHFFFAOYSA-N 2 1 397.485 3.659 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2-c2ccccc2)CC1 ZINC000114456205 859613976 /nfs/dbraw/zinc/61/39/76/859613976.db2.gz FDUDVCWSLZEOAO-UHFFFAOYSA-N 2 1 379.548 3.774 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC[N@@H+]2C2CC2)cc1 ZINC000895537490 859633766 /nfs/dbraw/zinc/63/37/66/859633766.db2.gz SHKXXCXQFUITRZ-MZYLBHOOSA-N 2 1 384.564 3.920 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCC4(CCOCC4)CO3)CC[N@H+]2C2CC2)cc1 ZINC000895537490 859633774 /nfs/dbraw/zinc/63/37/74/859633774.db2.gz SHKXXCXQFUITRZ-MZYLBHOOSA-N 2 1 384.564 3.920 20 0 GHADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000117849192 859639034 /nfs/dbraw/zinc/63/90/34/859639034.db2.gz PNYADBYRNYMVJY-QFBILLFUSA-N 2 1 385.474 3.546 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000611286030 859682668 /nfs/dbraw/zinc/68/26/68/859682668.db2.gz CWAYMAFVVXFGOO-IBGZPJMESA-N 2 1 376.541 3.571 20 0 GHADMP C[C@H]1C[N@@H+](CCCCc2cccc(C(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000474262901 859722757 /nfs/dbraw/zinc/72/27/57/859722757.db2.gz BQTZNFPOEJJDKE-GHTZIAJQSA-N 2 1 397.529 3.986 20 0 GHADMP CCC1(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000474322442 859837203 /nfs/dbraw/zinc/83/72/03/859837203.db2.gz PSPHNVDATLEELR-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000270619295 859837738 /nfs/dbraw/zinc/83/77/38/859837738.db2.gz JUFZOOIQZYWQLJ-HNNXBMFYSA-N 2 1 392.429 3.523 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000270619295 859837748 /nfs/dbraw/zinc/83/77/48/859837748.db2.gz JUFZOOIQZYWQLJ-HNNXBMFYSA-N 2 1 392.429 3.523 20 0 GHADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000597811807 859843666 /nfs/dbraw/zinc/84/36/66/859843666.db2.gz GJBOJYKUYKMVOQ-HSZRJFAPSA-N 2 1 385.596 3.712 20 0 GHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@]1(O)CCN(Cc3ccccc3)C1)CCCO2 ZINC000484174837 859847416 /nfs/dbraw/zinc/84/74/16/859847416.db2.gz SLQLSPPIZGCDLG-UPVQGACJSA-N 2 1 380.532 3.744 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390502 859886312 /nfs/dbraw/zinc/88/63/12/859886312.db2.gz NJQNSFPUUNBERD-OHUMZHCVSA-N 2 1 399.510 3.582 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000474479488 860168846 /nfs/dbraw/zinc/16/88/46/860168846.db2.gz RETXCQZPQBMNPI-RTBURBONSA-N 2 1 398.547 3.818 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccsc1 ZINC000533819461 860238685 /nfs/dbraw/zinc/23/86/85/860238685.db2.gz OIAIBTYYSNPFBC-WOJBJXKFSA-N 2 1 386.565 3.617 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccsc1 ZINC000533819461 860238700 /nfs/dbraw/zinc/23/87/00/860238700.db2.gz OIAIBTYYSNPFBC-WOJBJXKFSA-N 2 1 386.565 3.617 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)[C@@H]1c1cccs1 ZINC000536049437 860268717 /nfs/dbraw/zinc/26/87/17/860268717.db2.gz GZFNGLMFQVTTOR-LDQXTDLNSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)[C@@H]1c1cccs1 ZINC000536049437 860268724 /nfs/dbraw/zinc/26/87/24/860268724.db2.gz GZFNGLMFQVTTOR-LDQXTDLNSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000536049437 860268738 /nfs/dbraw/zinc/26/87/38/860268738.db2.gz GZFNGLMFQVTTOR-LDQXTDLNSA-N 2 1 398.576 3.617 20 0 GHADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000536049437 860268744 /nfs/dbraw/zinc/26/87/44/860268744.db2.gz GZFNGLMFQVTTOR-LDQXTDLNSA-N 2 1 398.576 3.617 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036873 860332066 /nfs/dbraw/zinc/33/20/66/860332066.db2.gz XMVBTOCVIUTJGU-IRJINJETSA-N 2 1 393.575 3.962 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)C1 ZINC000189055658 881534319 /nfs/dbraw/zinc/53/43/19/881534319.db2.gz DGLGXMSRQHRSCZ-VOQZNFBZSA-N 2 1 387.543 3.559 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583699 881546967 /nfs/dbraw/zinc/54/69/67/881546967.db2.gz PHQKCRNNOGEBQU-YADHBBJMSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583699 881547225 /nfs/dbraw/zinc/54/72/25/881547225.db2.gz PHQKCRNNOGEBQU-YADHBBJMSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583699 881547401 /nfs/dbraw/zinc/54/74/01/881547401.db2.gz PHQKCRNNOGEBQU-YADHBBJMSA-N 2 1 375.557 3.582 20 0 GHADMP CC(C)([NH3+])c1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000904595618 860525845 /nfs/dbraw/zinc/52/58/45/860525845.db2.gz KRIZWWYCZJJMKQ-GHTZIAJQSA-N 2 1 378.520 3.619 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000904649682 860544618 /nfs/dbraw/zinc/54/46/18/860544618.db2.gz SALDVDSLCVDUCH-KCZVDYSFSA-N 2 1 378.520 3.568 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000532230919 881555852 /nfs/dbraw/zinc/55/58/52/881555852.db2.gz ZZAMRKDVKGIQFB-QDSKXPNFSA-N 2 1 380.532 3.545 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000532230919 881555862 /nfs/dbraw/zinc/55/58/62/881555862.db2.gz ZZAMRKDVKGIQFB-QDSKXPNFSA-N 2 1 380.532 3.545 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000054511606 860604787 /nfs/dbraw/zinc/60/47/87/860604787.db2.gz LYVVCCHVIHLSIR-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000054511606 860604799 /nfs/dbraw/zinc/60/47/99/860604799.db2.gz LYVVCCHVIHLSIR-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000054511606 860604810 /nfs/dbraw/zinc/60/48/10/860604810.db2.gz LYVVCCHVIHLSIR-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030902 860617761 /nfs/dbraw/zinc/61/77/61/860617761.db2.gz IJZDCUBYHLEPAV-VQTJNVASSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030902 860617768 /nfs/dbraw/zinc/61/77/68/860617768.db2.gz IJZDCUBYHLEPAV-VQTJNVASSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000509030902 860617772 /nfs/dbraw/zinc/61/77/72/860617772.db2.gz IJZDCUBYHLEPAV-VQTJNVASSA-N 2 1 392.975 3.601 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(-c4ccccc4)no3)C2)ccn1 ZINC000856590913 881563528 /nfs/dbraw/zinc/56/35/28/881563528.db2.gz DWOMBZFZNNNVPJ-OAQYLSRUSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)ccn1 ZINC000856590913 881563536 /nfs/dbraw/zinc/56/35/36/881563536.db2.gz DWOMBZFZNNNVPJ-OAQYLSRUSA-N 2 1 392.503 3.842 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)no3)C2)ccn1 ZINC000856590913 881563547 /nfs/dbraw/zinc/56/35/47/881563547.db2.gz DWOMBZFZNNNVPJ-OAQYLSRUSA-N 2 1 392.503 3.842 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)C[C@H]1c1ccccc1 ZINC000453345224 860652739 /nfs/dbraw/zinc/65/27/39/860652739.db2.gz FERUPXMCILASGC-LILSUDLASA-N 2 1 382.552 3.805 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)C[C@H]1c1ccccc1 ZINC000453345224 860652744 /nfs/dbraw/zinc/65/27/44/860652744.db2.gz FERUPXMCILASGC-LILSUDLASA-N 2 1 382.552 3.805 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1 ZINC000474720172 860677787 /nfs/dbraw/zinc/67/77/87/860677787.db2.gz PGJFPDSVMRRQJX-UHFFFAOYSA-N 2 1 391.556 3.605 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000474743910 860705709 /nfs/dbraw/zinc/70/57/09/860705709.db2.gz DLQWXMCGBAFNGS-UHFFFAOYSA-N 2 1 391.559 3.524 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3CO)CC2)C1 ZINC000532232691 881584880 /nfs/dbraw/zinc/58/48/80/881584880.db2.gz YCMLPXGOMGEUCL-CEYBMKEASA-N 2 1 399.623 3.502 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CN(Cc4ccccc4)CC[C@@H]3CO)CC2)C1 ZINC000532232691 881584888 /nfs/dbraw/zinc/58/48/88/881584888.db2.gz YCMLPXGOMGEUCL-CEYBMKEASA-N 2 1 399.623 3.502 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000623360878 860920993 /nfs/dbraw/zinc/92/09/93/860920993.db2.gz CHXNMQSQOJNYNX-OLZOCXBDSA-N 2 1 381.343 3.617 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000623360878 860921007 /nfs/dbraw/zinc/92/10/07/860921007.db2.gz CHXNMQSQOJNYNX-OLZOCXBDSA-N 2 1 381.343 3.617 20 0 GHADMP Cc1nc(C2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)[nH]c1C ZINC000899511351 860952640 /nfs/dbraw/zinc/95/26/40/860952640.db2.gz CKAMTSCXUMUJFF-HXUWFJFHSA-N 2 1 384.499 3.536 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000481315444 861051381 /nfs/dbraw/zinc/05/13/81/861051381.db2.gz WNGPIYZMNKBJAO-HYBUGGRVSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000481315444 861051400 /nfs/dbraw/zinc/05/14/00/861051400.db2.gz WNGPIYZMNKBJAO-HYBUGGRVSA-N 2 1 378.564 3.546 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000599321549 861060539 /nfs/dbraw/zinc/06/05/39/861060539.db2.gz IYCDBMFTYRDTRN-HYBUGGRVSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[NH+]2CCCC2)cc1 ZINC000599321549 861060556 /nfs/dbraw/zinc/06/05/56/861060556.db2.gz IYCDBMFTYRDTRN-HYBUGGRVSA-N 2 1 391.559 3.695 20 0 GHADMP COC(=O)CCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000599342354 861077281 /nfs/dbraw/zinc/07/72/81/861077281.db2.gz ZHKTYJJBZLRMPM-UHFFFAOYSA-N 2 1 386.458 3.945 20 0 GHADMP COC(=O)CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000599342354 861077301 /nfs/dbraw/zinc/07/73/01/861077301.db2.gz ZHKTYJJBZLRMPM-UHFFFAOYSA-N 2 1 386.458 3.945 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[NH+](C)C2)cc1 ZINC000623454384 861080844 /nfs/dbraw/zinc/08/08/44/861080844.db2.gz BXXXNCXYRPSCAS-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623454384 861080853 /nfs/dbraw/zinc/08/08/53/861080853.db2.gz BXXXNCXYRPSCAS-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623454384 861080863 /nfs/dbraw/zinc/08/08/63/861080863.db2.gz BXXXNCXYRPSCAS-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000733848704 863202274 /nfs/dbraw/zinc/20/22/74/863202274.db2.gz QJXOZFVLXNKSNX-NHCUHLMSSA-N 2 1 380.621 3.795 20 0 GHADMP CCC1([NH+]2CCOCC2)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000626089349 863290545 /nfs/dbraw/zinc/29/05/45/863290545.db2.gz MXJVWBXGQVQCCD-UHFFFAOYSA-N 2 1 385.596 3.749 20 0 GHADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482566813 863323257 /nfs/dbraw/zinc/32/32/57/863323257.db2.gz RUMCEJARUHRZLF-WMZOPIPTSA-N 2 1 385.474 3.724 20 0 GHADMP C[C@H](CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCCCC1 ZINC000182671068 863324552 /nfs/dbraw/zinc/32/45/52/863324552.db2.gz VUHKHRZKONGUEQ-HBMCJLEFSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000428325842 863408751 /nfs/dbraw/zinc/40/87/51/863408751.db2.gz OCKGSPXEJMYMST-NXLVEIQXSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000428325842 863408756 /nfs/dbraw/zinc/40/87/56/863408756.db2.gz OCKGSPXEJMYMST-NXLVEIQXSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000428325842 863408760 /nfs/dbraw/zinc/40/87/60/863408760.db2.gz OCKGSPXEJMYMST-NXLVEIQXSA-N 2 1 386.584 3.602 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(Cl)c2)cc1 ZINC000183138160 863482998 /nfs/dbraw/zinc/48/29/98/863482998.db2.gz JTHKBICHGIUIKH-OAHLLOKOSA-N 2 1 382.895 3.801 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183151709 863488852 /nfs/dbraw/zinc/48/88/52/863488852.db2.gz GMXWNCXPQKZQLF-CVEARBPZSA-N 2 1 378.476 3.867 20 0 GHADMP C[C@@H]1CC([N@@H+]2CCCN(C(=O)C3CCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053031 863803121 /nfs/dbraw/zinc/80/31/21/863803121.db2.gz LYTLYGCCEPGPOL-WOJBJXKFSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1CC([N@H+]2CCCN(C(=O)C3CCC3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053031 863803128 /nfs/dbraw/zinc/80/31/28/863803128.db2.gz LYTLYGCCEPGPOL-WOJBJXKFSA-N 2 1 383.580 3.762 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056323 864155246 /nfs/dbraw/zinc/15/52/46/864155246.db2.gz FLCVVGLMCILJNR-CNNODRBYSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cnc(O[C@@H]2CC[N@H+](C3C[C@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056323 864155254 /nfs/dbraw/zinc/15/52/54/864155254.db2.gz FLCVVGLMCILJNR-CNNODRBYSA-N 2 1 380.536 3.680 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000475124704 864261435 /nfs/dbraw/zinc/26/14/35/864261435.db2.gz ZDQLGMUYIMTEHM-SFHVURJKSA-N 2 1 378.605 3.593 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)[C@@H]1Oc1ccccc1 ZINC000480235573 864320136 /nfs/dbraw/zinc/32/01/36/864320136.db2.gz SYRQQNUSVQNYRL-XJUOHMSHSA-N 2 1 381.520 3.573 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CC)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256002 864339481 /nfs/dbraw/zinc/33/94/81/864339481.db2.gz YBYREXUZRYLJFF-ZTCOLXNVSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CC)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256002 864339487 /nfs/dbraw/zinc/33/94/87/864339487.db2.gz YBYREXUZRYLJFF-ZTCOLXNVSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](CC)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256002 864339497 /nfs/dbraw/zinc/33/94/97/864339497.db2.gz YBYREXUZRYLJFF-ZTCOLXNVSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H](CC)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256002 864339506 /nfs/dbraw/zinc/33/95/06/864339506.db2.gz YBYREXUZRYLJFF-ZTCOLXNVSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480256002 864339513 /nfs/dbraw/zinc/33/95/13/864339513.db2.gz YBYREXUZRYLJFF-ZTCOLXNVSA-N 2 1 387.612 3.550 20 0 GHADMP C[C@@H]1C[C@@H](N2CCN(c3ccc(Cl)nn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056896 864356067 /nfs/dbraw/zinc/35/60/67/864356067.db2.gz JOJYKXPNTJVBPI-OPVJXMOQSA-N 2 1 399.970 3.694 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000163636479 864545240 /nfs/dbraw/zinc/54/52/40/864545240.db2.gz ZAGUEVQQJJEXAE-HSZRJFAPSA-N 2 1 398.547 3.956 20 0 GHADMP Cc1nccc(N(C2CC[NH2+]CC2)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001168059619 864584202 /nfs/dbraw/zinc/58/42/02/864584202.db2.gz UIDHMTGVHLQYBM-BBIADKPPSA-N 2 1 393.579 3.785 20 0 GHADMP Cc1csc(N2CCC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)n1 ZINC000165299868 864661203 /nfs/dbraw/zinc/66/12/03/864661203.db2.gz IQFMBJMDEPIMKL-HXUWFJFHSA-N 2 1 384.593 3.575 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000607897565 864851943 /nfs/dbraw/zinc/85/19/43/864851943.db2.gz CCLQMZZTAFVWQC-DLBZAZTESA-N 2 1 399.501 3.683 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182642143 864895105 /nfs/dbraw/zinc/89/51/05/864895105.db2.gz BMUUTCXHUFZSOH-RRPUWOKSSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182642143 864895132 /nfs/dbraw/zinc/89/51/32/864895132.db2.gz BMUUTCXHUFZSOH-RRPUWOKSSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182642143 864895148 /nfs/dbraw/zinc/89/51/48/864895148.db2.gz BMUUTCXHUFZSOH-RRPUWOKSSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2)CC1 ZINC000542485197 881837892 /nfs/dbraw/zinc/83/78/92/881837892.db2.gz KBPWJRNLGBBIPQ-NRFANRHFSA-N 2 1 393.579 3.689 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1C ZINC000301105535 865157584 /nfs/dbraw/zinc/15/75/84/865157584.db2.gz PJMWYKQPNFZJQF-IRXDYDNUSA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2c1C ZINC000301105535 865157590 /nfs/dbraw/zinc/15/75/90/865157590.db2.gz PJMWYKQPNFZJQF-IRXDYDNUSA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1C ZINC000301112973 865165129 /nfs/dbraw/zinc/16/51/29/865165129.db2.gz SMFWQZFPAUKSOH-SFHVURJKSA-N 2 1 399.608 3.969 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000480778558 865252190 /nfs/dbraw/zinc/25/21/90/865252190.db2.gz IKIKHXOVVAAURS-XMSQKQJNSA-N 2 1 385.527 3.864 20 0 GHADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000622751918 865266683 /nfs/dbraw/zinc/26/66/83/865266683.db2.gz PIQZZIGGZQVTFB-TZIWHRDSSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000622751918 865266698 /nfs/dbraw/zinc/26/66/98/865266698.db2.gz PIQZZIGGZQVTFB-TZIWHRDSSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000622751918 865266715 /nfs/dbraw/zinc/26/67/15/865266715.db2.gz PIQZZIGGZQVTFB-TZIWHRDSSA-N 2 1 387.543 3.561 20 0 GHADMP CC[N@@H+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000554992802 865288644 /nfs/dbraw/zinc/28/86/44/865288644.db2.gz HNEDLODQMDCASC-MIMBSXMBSA-N 2 1 389.971 3.854 20 0 GHADMP CC[NH+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000554992802 865288656 /nfs/dbraw/zinc/28/86/56/865288656.db2.gz HNEDLODQMDCASC-MIMBSXMBSA-N 2 1 389.971 3.854 20 0 GHADMP CC[NH+](CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000554992802 865288667 /nfs/dbraw/zinc/28/86/67/865288667.db2.gz HNEDLODQMDCASC-MIMBSXMBSA-N 2 1 389.971 3.854 20 0 GHADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000301515222 865398942 /nfs/dbraw/zinc/39/89/42/865398942.db2.gz CMGYZBSNKWAVMU-UHFFFAOYSA-N 2 1 388.943 3.927 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000173181432 865771672 /nfs/dbraw/zinc/77/16/72/865771672.db2.gz JZYWVMHERIZUNG-OFNKIYASSA-N 2 1 379.548 3.630 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000173181432 865771677 /nfs/dbraw/zinc/77/16/77/865771677.db2.gz JZYWVMHERIZUNG-OFNKIYASSA-N 2 1 379.548 3.630 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494563077 881917216 /nfs/dbraw/zinc/91/72/16/881917216.db2.gz HNFZLYAGSIMWTB-OALUTQOASA-N 2 1 380.458 3.913 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481178690 865936066 /nfs/dbraw/zinc/93/60/66/865936066.db2.gz SVVQLGWKSZRTJK-PGRDOPGGSA-N 2 1 381.520 3.524 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481174461 865961615 /nfs/dbraw/zinc/96/16/15/865961615.db2.gz KYEGWIBPWMZLSB-BGWNEDDSSA-N 2 1 382.548 3.543 20 0 GHADMP Cc1c(Br)cc(C[NH2+]CCc2c[nH+]cn2C)cc1Br ZINC000623085988 866005240 /nfs/dbraw/zinc/00/52/40/866005240.db2.gz RGXVVJVBCPVWRD-UHFFFAOYSA-N 2 1 387.119 3.586 20 0 GHADMP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209493 866012985 /nfs/dbraw/zinc/01/29/85/866012985.db2.gz ZCGSDQSEWWOBCD-LQWHRVPQSA-N 2 1 397.588 3.522 20 0 GHADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N1CCc2sccc2C1 ZINC000481209493 866013002 /nfs/dbraw/zinc/01/30/02/866013002.db2.gz ZCGSDQSEWWOBCD-LQWHRVPQSA-N 2 1 397.588 3.522 20 0 GHADMP FC(F)(F)c1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)c1 ZINC000655718922 866156059 /nfs/dbraw/zinc/15/60/59/866156059.db2.gz GMAPCOVKFCEMFA-LJQANCHMSA-N 2 1 382.470 3.970 20 0 GHADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131432 866247747 /nfs/dbraw/zinc/24/77/47/866247747.db2.gz BLOHSYNRYSZXLC-KZKAQZJJSA-N 2 1 380.532 3.619 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534207747 866274785 /nfs/dbraw/zinc/27/47/85/866274785.db2.gz ZOFPHMSEYQDSHX-QFBILLFUSA-N 2 1 398.954 3.503 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534207747 866274791 /nfs/dbraw/zinc/27/47/91/866274791.db2.gz ZOFPHMSEYQDSHX-QFBILLFUSA-N 2 1 398.954 3.503 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534207747 866274794 /nfs/dbraw/zinc/27/47/94/866274794.db2.gz ZOFPHMSEYQDSHX-QFBILLFUSA-N 2 1 398.954 3.503 20 0 GHADMP CC(C)[NH+](C)CC(=O)Nc1cc(NC(=O)C[N@H+](C)C(C)C)cc(C(C)(C)C)c1 ZINC000456310680 866405438 /nfs/dbraw/zinc/40/54/38/866405438.db2.gz QXANPWLSWXYKHX-UHFFFAOYSA-N 2 1 390.572 3.542 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000428761974 866488302 /nfs/dbraw/zinc/48/83/02/866488302.db2.gz XXMGQPAQELZJLL-XAPVIXHLSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428761974 866488317 /nfs/dbraw/zinc/48/83/17/866488317.db2.gz XXMGQPAQELZJLL-XAPVIXHLSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428761974 866488325 /nfs/dbraw/zinc/48/83/25/866488325.db2.gz XXMGQPAQELZJLL-XAPVIXHLSA-N 2 1 386.584 3.602 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000552917718 866490558 /nfs/dbraw/zinc/49/05/58/866490558.db2.gz HDVMCYZLAPHDBL-QFIPXVFZSA-N 2 1 387.543 3.686 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170427655 882004712 /nfs/dbraw/zinc/00/47/12/882004712.db2.gz AOCMHJNQFURKCA-ACRUOGEOSA-N 2 1 381.520 3.904 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523150679 866771547 /nfs/dbraw/zinc/77/15/47/866771547.db2.gz VKPLMDOPJRKTRL-YTFSRNRJSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000523150679 866771559 /nfs/dbraw/zinc/77/15/59/866771559.db2.gz VKPLMDOPJRKTRL-YTFSRNRJSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000523150679 866771571 /nfs/dbraw/zinc/77/15/71/866771571.db2.gz VKPLMDOPJRKTRL-YTFSRNRJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553430066 867384140 /nfs/dbraw/zinc/38/41/40/867384140.db2.gz GUCCHHPMWDRODU-LMNJBCLMSA-N 2 1 384.568 3.578 20 0 GHADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000620825777 867628890 /nfs/dbraw/zinc/62/88/90/867628890.db2.gz UERXYZHXAKAZTG-NRFANRHFSA-N 2 1 386.584 3.510 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000190207909 882118591 /nfs/dbraw/zinc/11/85/91/882118591.db2.gz QHDRHJWWJAGNTI-SFHVURJKSA-N 2 1 383.540 3.759 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000479463083 867807009 /nfs/dbraw/zinc/80/70/09/867807009.db2.gz IAZFYBIORHYGEV-ZJSXRUAMSA-N 2 1 377.532 3.592 20 0 GHADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000479444947 867813789 /nfs/dbraw/zinc/81/37/89/867813789.db2.gz KNFHDBFVWQWWJQ-AUSIDOKSSA-N 2 1 379.548 3.538 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000553657147 867851646 /nfs/dbraw/zinc/85/16/46/867851646.db2.gz AEJWVEVBCLYXLG-FQEVSTJZSA-N 2 1 394.991 3.754 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccco1 ZINC000857256469 882147713 /nfs/dbraw/zinc/14/77/13/882147713.db2.gz JBJFBAHOUAMUAG-WMQCIHAUSA-N 2 1 383.536 3.948 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000535077025 868114551 /nfs/dbraw/zinc/11/45/51/868114551.db2.gz GKTONXNFCHFBCW-UHFFFAOYSA-N 2 1 399.501 3.535 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1Cl ZINC000457470393 868358423 /nfs/dbraw/zinc/35/84/23/868358423.db2.gz DEPVQYIEQMCHJD-KVMCETHSSA-N 2 1 392.975 3.647 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000183845907 868362064 /nfs/dbraw/zinc/36/20/64/868362064.db2.gz AGAITQYOKIWSBB-AZUAARDMSA-N 2 1 397.604 3.644 20 0 GHADMP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000190423268 882184717 /nfs/dbraw/zinc/18/47/17/882184717.db2.gz MEEXILRRMIKXDT-GOSISDBHSA-N 2 1 384.351 3.762 20 0 GHADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156898470 868495266 /nfs/dbraw/zinc/49/52/66/868495266.db2.gz KURUFSTWMDHXJH-YDHSSHFGSA-N 2 1 379.548 3.666 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000156924020 868503156 /nfs/dbraw/zinc/50/31/56/868503156.db2.gz URNFEPTXWPDZMO-JXFKEZNVSA-N 2 1 397.588 3.785 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000457673725 868604821 /nfs/dbraw/zinc/60/48/21/868604821.db2.gz ZQYCFVWECHPCJC-CTNGQTDRSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000457673725 868604833 /nfs/dbraw/zinc/60/48/33/868604833.db2.gz ZQYCFVWECHPCJC-CTNGQTDRSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000457673725 868604839 /nfs/dbraw/zinc/60/48/39/868604839.db2.gz ZQYCFVWECHPCJC-CTNGQTDRSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H]4CC[N@H+]5CCC[C@@H]5C4)cc3)nc12 ZINC000621055836 868612999 /nfs/dbraw/zinc/61/29/99/868612999.db2.gz BDYYYTVQSXYSBV-RBBKRZOGSA-N 2 1 390.531 3.938 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000157432634 868653257 /nfs/dbraw/zinc/65/32/57/868653257.db2.gz QRJAYLOIVZZBMY-FYYLOGMGSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000535397659 868687957 /nfs/dbraw/zinc/68/79/57/868687957.db2.gz HKCZUBYFKDJXBI-XZOQPEGZSA-N 2 1 394.563 3.773 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1Cl ZINC000554086756 868728347 /nfs/dbraw/zinc/72/83/47/868728347.db2.gz PJEGWIBKXPATCP-QQURRQIPSA-N 2 1 384.951 3.916 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000535507134 868890094 /nfs/dbraw/zinc/89/00/94/868890094.db2.gz KCWRKTNPFCNLGN-GOSISDBHSA-N 2 1 384.351 3.513 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCN(CC(F)(F)F)C2=O)C1 ZINC000158217370 868898352 /nfs/dbraw/zinc/89/83/52/868898352.db2.gz SLGUTLBAFANPGQ-VQIMIIECSA-N 2 1 397.485 3.561 20 0 GHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(CC[NH+](C)C)cc3)cc2)C[C@H](C)O1 ZINC000524391757 869004046 /nfs/dbraw/zinc/00/40/46/869004046.db2.gz CDALODHIGUIDKJ-OALUTQOASA-N 2 1 395.547 3.652 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3CCc4cc(F)ccc4C3)CC[C@@H]21 ZINC001168432016 869714555 /nfs/dbraw/zinc/71/45/55/869714555.db2.gz PHCYROFMFVRQQN-AZOUXBGGSA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(F)ccc4C3)CC[C@@H]21 ZINC001168432016 869714563 /nfs/dbraw/zinc/71/45/63/869714563.db2.gz PHCYROFMFVRQQN-AZOUXBGGSA-N 2 1 396.554 3.753 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3CCc4cc(F)ccc4C3)CC[C@@H]21 ZINC001168432016 869714571 /nfs/dbraw/zinc/71/45/71/869714571.db2.gz PHCYROFMFVRQQN-AZOUXBGGSA-N 2 1 396.554 3.753 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000539820614 869849530 /nfs/dbraw/zinc/84/95/30/869849530.db2.gz BWNUWDQMPIASQG-UHFFFAOYSA-N 3 1 387.612 3.721 20 0 GHADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000539820614 869849538 /nfs/dbraw/zinc/84/95/38/869849538.db2.gz BWNUWDQMPIASQG-UHFFFAOYSA-N 2 1 387.612 3.721 20 0 GHADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000247965471 870247444 /nfs/dbraw/zinc/24/74/44/870247444.db2.gz GTLKCZPCZPVMMS-SIKLNZKXSA-N 2 1 379.548 3.852 20 0 GHADMP [NH3+]CCCCCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000746317013 870252445 /nfs/dbraw/zinc/25/24/45/870252445.db2.gz HMDWGVSJVZTMGR-UHFFFAOYSA-N 2 1 389.540 3.718 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000461472111 870257595 /nfs/dbraw/zinc/25/75/95/870257595.db2.gz KJOPDDYYTXVRSU-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000461472111 870257615 /nfs/dbraw/zinc/25/76/15/870257615.db2.gz KJOPDDYYTXVRSU-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC001205591088 870259276 /nfs/dbraw/zinc/25/92/76/870259276.db2.gz DEAVREKIJUELAW-HNNXBMFYSA-N 2 1 381.236 3.703 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC001205591088 870259293 /nfs/dbraw/zinc/25/92/93/870259293.db2.gz DEAVREKIJUELAW-HNNXBMFYSA-N 2 1 381.236 3.703 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000122094290 882398155 /nfs/dbraw/zinc/39/81/55/882398155.db2.gz WIMQFFHZDWMIKG-UHFFFAOYSA-N 2 1 386.540 3.615 20 0 GHADMP C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248392817 870362983 /nfs/dbraw/zinc/36/29/83/870362983.db2.gz DHGWXPGXHZEOCN-MHTWAQMVSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248392817 870363002 /nfs/dbraw/zinc/36/30/02/870363002.db2.gz DHGWXPGXHZEOCN-MHTWAQMVSA-N 2 1 392.632 3.697 20 0 GHADMP C[C@@H](NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248392817 870363009 /nfs/dbraw/zinc/36/30/09/870363009.db2.gz DHGWXPGXHZEOCN-MHTWAQMVSA-N 2 1 392.632 3.697 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C(F)(F)F)n1 ZINC000248402303 870376233 /nfs/dbraw/zinc/37/62/33/870376233.db2.gz NBPZRMOEGDTVAL-BHIYHBOVSA-N 2 1 392.469 3.829 20 0 GHADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000191810317 870388092 /nfs/dbraw/zinc/38/80/92/870388092.db2.gz NCKGQIQKJAJYPY-HNNXBMFYSA-N 2 1 383.462 3.659 20 0 GHADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000191810317 870388107 /nfs/dbraw/zinc/38/81/07/870388107.db2.gz NCKGQIQKJAJYPY-HNNXBMFYSA-N 2 1 383.462 3.659 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000122044659 882405878 /nfs/dbraw/zinc/40/58/78/882405878.db2.gz QFUQIHGZRYHEDD-KRWDZBQOSA-N 2 1 395.975 3.737 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000122044659 882405882 /nfs/dbraw/zinc/40/58/82/882405882.db2.gz QFUQIHGZRYHEDD-KRWDZBQOSA-N 2 1 395.975 3.737 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1 ZINC000248462481 870440743 /nfs/dbraw/zinc/44/07/43/870440743.db2.gz YJBZCWDVIXYGCL-KGVIQGDOSA-N 2 1 398.551 3.543 20 0 GHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248465016 870444072 /nfs/dbraw/zinc/44/40/72/870444072.db2.gz ZVZAHLQEYBRNTE-HOYKHHGWSA-N 2 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248465016 870444080 /nfs/dbraw/zinc/44/40/80/870444080.db2.gz ZVZAHLQEYBRNTE-HOYKHHGWSA-N 3 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248465016 870444085 /nfs/dbraw/zinc/44/40/85/870444085.db2.gz ZVZAHLQEYBRNTE-HOYKHHGWSA-N 3 1 390.531 3.598 20 0 GHADMP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000462942644 870473064 /nfs/dbraw/zinc/47/30/64/870473064.db2.gz GCAHYJONIDHASN-XLIONFOSSA-N 2 1 383.536 3.605 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCS2 ZINC000248809495 870645873 /nfs/dbraw/zinc/64/58/73/870645873.db2.gz HJIKSFYZDKAHAD-HSALFYBXSA-N 2 1 376.566 3.590 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249120306 870763841 /nfs/dbraw/zinc/76/38/41/870763841.db2.gz ZHHCBYPQFWQEPT-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766468928 870797889 /nfs/dbraw/zinc/79/78/89/870797889.db2.gz KYGNULLDMWNWMJ-PGRDOPGGSA-N 2 1 384.520 3.678 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000766468928 870797896 /nfs/dbraw/zinc/79/78/96/870797896.db2.gz KYGNULLDMWNWMJ-PGRDOPGGSA-N 2 1 384.520 3.678 20 0 GHADMP CC[C@]1(CO)CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@](CC)(CO)C3)cc2)C1 ZINC000249539013 870861953 /nfs/dbraw/zinc/86/19/53/870861953.db2.gz DINWDVWEZXILGR-ZEQRLZLVSA-N 2 1 388.596 3.656 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1C(=O)OC(C)(C)C ZINC001168824246 870876591 /nfs/dbraw/zinc/87/65/91/870876591.db2.gz OELLGGBZJOQJOL-RXVVDRJESA-N 2 1 387.568 3.681 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1)CC1CC1 ZINC000538949240 870959485 /nfs/dbraw/zinc/95/94/85/870959485.db2.gz MGETYFUTERCYDZ-UHFFFAOYSA-N 2 1 398.016 3.852 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1)CC1CC1 ZINC000538949240 870959495 /nfs/dbraw/zinc/95/94/95/870959495.db2.gz MGETYFUTERCYDZ-UHFFFAOYSA-N 2 1 398.016 3.852 20 0 GHADMP C[NH+]1CCC([NH2+]Cc2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 ZINC000461791310 870963978 /nfs/dbraw/zinc/96/39/78/870963978.db2.gz NCBBDWFUBIMXIF-UHFFFAOYSA-N 2 1 381.520 3.668 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463137272 870987051 /nfs/dbraw/zinc/98/70/51/870987051.db2.gz JVDCCJCOOZNWDF-UGKGYDQZSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000463137272 870987055 /nfs/dbraw/zinc/98/70/55/870987055.db2.gz JVDCCJCOOZNWDF-UGKGYDQZSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000463138035 870990819 /nfs/dbraw/zinc/99/08/19/870990819.db2.gz NXXBSVYOFFHDJG-ZODMCCGTSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000463138035 870990832 /nfs/dbraw/zinc/99/08/32/870990832.db2.gz NXXBSVYOFFHDJG-ZODMCCGTSA-N 2 1 393.575 3.530 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000538983456 871046991 /nfs/dbraw/zinc/04/69/91/871046991.db2.gz AJMBWYKVIFGLDI-DYESRHJHSA-N 2 1 389.515 3.750 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169119799 871210249 /nfs/dbraw/zinc/21/02/49/871210249.db2.gz WGKAQKVNYLQUPN-REPLKXPHSA-N 2 1 381.486 3.666 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC1)C2 ZINC001169142166 871251070 /nfs/dbraw/zinc/25/10/70/871251070.db2.gz AHAVLWXQXNVYLM-FUMNGEBKSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000539071991 871258031 /nfs/dbraw/zinc/25/80/31/871258031.db2.gz ZZVRRAKQJDMBDT-PXNSSMCTSA-N 2 1 380.511 3.755 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC000539071136 871259314 /nfs/dbraw/zinc/25/93/14/871259314.db2.gz UTBOTGWORRFNNS-OWCLPIDISA-N 2 1 399.373 3.998 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(NC4=[NH+]CCC4)cc3)C2)c1 ZINC001169148916 871260798 /nfs/dbraw/zinc/26/07/98/871260798.db2.gz GRFVVNTWARCEII-OAQYLSRUSA-N 2 1 376.504 3.604 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(CN4CCCC4)on3)cc2)C1 ZINC000461915670 871264180 /nfs/dbraw/zinc/26/41/80/871264180.db2.gz UAYUDXGYRDVVPD-KRWDZBQOSA-N 2 1 382.508 3.755 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)C1 ZINC000461915670 871264199 /nfs/dbraw/zinc/26/41/99/871264199.db2.gz UAYUDXGYRDVVPD-KRWDZBQOSA-N 2 1 382.508 3.755 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cc(C[NH+]4CCCC4)on3)cc2)C1 ZINC000461915670 871264213 /nfs/dbraw/zinc/26/42/13/871264213.db2.gz UAYUDXGYRDVVPD-KRWDZBQOSA-N 2 1 382.508 3.755 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC1)C2 ZINC001169152637 871266005 /nfs/dbraw/zinc/26/60/05/871266005.db2.gz CECQRHYZYHVYSG-NUNAXRQHSA-N 3 1 397.607 3.757 20 0 GHADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC1)C2 ZINC001169152637 871266019 /nfs/dbraw/zinc/26/60/19/871266019.db2.gz CECQRHYZYHVYSG-NUNAXRQHSA-N 2 1 397.607 3.757 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(Br)c1OC ZINC000539078043 871270729 /nfs/dbraw/zinc/27/07/29/871270729.db2.gz LYRNGZIMQLEVAS-UHFFFAOYSA-N 2 1 397.357 3.963 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)C1CC[NH+](CC)CC1 ZINC001169261876 871323331 /nfs/dbraw/zinc/32/33/31/871323331.db2.gz PUDVVXNLGJCPIP-LEWJYISDSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](CC)CC1 ZINC001169261876 871323350 /nfs/dbraw/zinc/32/33/50/871323350.db2.gz PUDVVXNLGJCPIP-LEWJYISDSA-N 2 1 376.516 3.844 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169250783 871349519 /nfs/dbraw/zinc/34/95/19/871349519.db2.gz RINGXQNYLDJMHZ-FQEVSTJZSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCC[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169250783 871349540 /nfs/dbraw/zinc/34/95/40/871349540.db2.gz RINGXQNYLDJMHZ-FQEVSTJZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(NCc3scnc3C3CC3)CC2)cc1 ZINC000449526266 871384449 /nfs/dbraw/zinc/38/44/49/871384449.db2.gz VGYRTEMTRDPOQW-UHFFFAOYSA-N 2 1 384.549 3.733 20 0 GHADMP Cc1cc(I)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc1C ZINC001205652329 871482944 /nfs/dbraw/zinc/48/29/44/871482944.db2.gz PGRBNOCGPKYJDE-SWLSCSKDSA-N 2 1 386.321 3.715 20 0 GHADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000539201091 871489246 /nfs/dbraw/zinc/48/92/46/871489246.db2.gz MIBFWPITMNJHTL-UTKZUKDTSA-N 2 1 399.966 3.758 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000540559905 871588738 /nfs/dbraw/zinc/58/87/38/871588738.db2.gz DYXYZGZKESEQAL-OAQYLSRUSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000540559905 871588740 /nfs/dbraw/zinc/58/87/40/871588740.db2.gz DYXYZGZKESEQAL-OAQYLSRUSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000540559905 871588741 /nfs/dbraw/zinc/58/87/41/871588741.db2.gz DYXYZGZKESEQAL-OAQYLSRUSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000540559905 871588742 /nfs/dbraw/zinc/58/87/42/871588742.db2.gz DYXYZGZKESEQAL-OAQYLSRUSA-N 2 1 397.588 3.928 20 0 GHADMP [NH3+]C1(c2ccc(N[C@@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2)CCC1 ZINC001169518801 871589755 /nfs/dbraw/zinc/58/97/55/871589755.db2.gz KNJWDZOJBUUYPG-DENIHFKCSA-N 2 1 393.531 3.896 20 0 GHADMP [NH3+][C@@H]1CCc2c1cccc2N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001169524867 871602304 /nfs/dbraw/zinc/60/23/04/871602304.db2.gz ZTHFGXOGYAFCSJ-NQSCKRDGSA-N 2 1 379.504 3.504 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC001169557627 871636310 /nfs/dbraw/zinc/63/63/10/871636310.db2.gz YTUFRLAIGQTADO-LPHOPBHVSA-N 2 1 388.474 3.854 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1)CC(C)C ZINC000540591028 871644467 /nfs/dbraw/zinc/64/44/67/871644467.db2.gz YAHXLFBPVUFJQY-UHFFFAOYSA-N 2 1 384.568 3.514 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1)CC(C)C ZINC000540591028 871644478 /nfs/dbraw/zinc/64/44/78/871644478.db2.gz YAHXLFBPVUFJQY-UHFFFAOYSA-N 2 1 384.568 3.514 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000552034575 871659116 /nfs/dbraw/zinc/65/91/16/871659116.db2.gz GUSOGJWRXWUCAM-SGKWCMOWSA-N 2 1 382.548 3.711 20 0 GHADMP COCC[NH+]1CCC([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000462124521 871660819 /nfs/dbraw/zinc/66/08/19/871660819.db2.gz VRHWJUHSBZYHCD-UHFFFAOYSA-N 2 1 381.731 3.726 20 0 GHADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000539320964 871684561 /nfs/dbraw/zinc/68/45/61/871684561.db2.gz XFXBSRMUHSYVAQ-NRFANRHFSA-N 2 1 375.557 3.746 20 0 GHADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000539320964 871684563 /nfs/dbraw/zinc/68/45/63/871684563.db2.gz XFXBSRMUHSYVAQ-NRFANRHFSA-N 2 1 375.557 3.746 20 0 GHADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000539320964 871684569 /nfs/dbraw/zinc/68/45/69/871684569.db2.gz XFXBSRMUHSYVAQ-NRFANRHFSA-N 2 1 375.557 3.746 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001169669707 871738999 /nfs/dbraw/zinc/73/89/99/871738999.db2.gz VEEVMMYHJFYUSM-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001169669707 871739010 /nfs/dbraw/zinc/73/90/10/871739010.db2.gz VEEVMMYHJFYUSM-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579897 871926155 /nfs/dbraw/zinc/92/61/55/871926155.db2.gz MHTPSRSJGQQTSM-KIHHCIJBSA-N 2 1 389.543 3.573 20 0 GHADMP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579897 871926175 /nfs/dbraw/zinc/92/61/75/871926175.db2.gz MHTPSRSJGQQTSM-KIHHCIJBSA-N 2 1 389.543 3.573 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000552063163 871964391 /nfs/dbraw/zinc/96/43/91/871964391.db2.gz QTVHUYMRWGVNJY-KIHHCIJBSA-N 2 1 398.591 3.995 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000122473762 882570985 /nfs/dbraw/zinc/57/09/85/882570985.db2.gz JUHQPGJRXWPYHY-LPHOPBHVSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000122473762 882570991 /nfs/dbraw/zinc/57/09/91/882570991.db2.gz JUHQPGJRXWPYHY-LPHOPBHVSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CC[C@@H]3CCCC[NH+]3C)C2)s1 ZINC000552135434 872078319 /nfs/dbraw/zinc/07/83/19/872078319.db2.gz NOLWLWTURLOBCY-OALUTQOASA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)s1 ZINC000552135434 872078339 /nfs/dbraw/zinc/07/83/39/872078339.db2.gz NOLWLWTURLOBCY-OALUTQOASA-N 2 1 377.598 3.601 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)CC[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC000552135434 872078359 /nfs/dbraw/zinc/07/83/59/872078359.db2.gz NOLWLWTURLOBCY-OALUTQOASA-N 2 1 377.598 3.601 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775632661 872147893 /nfs/dbraw/zinc/14/78/93/872147893.db2.gz PIMWSMSUHFIPEB-IZZBFERCSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000618942628 872184422 /nfs/dbraw/zinc/18/44/22/872184422.db2.gz MKNWOCAVYLBNEK-BGYRXZFFSA-N 2 1 388.600 3.516 20 0 GHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2c3ccccc3CN(C)C2=O)ccc1OC ZINC000857875435 882605086 /nfs/dbraw/zinc/60/50/86/882605086.db2.gz OJMHTJXXUUBJSE-HXOBKFHXSA-N 2 1 395.547 3.901 20 0 GHADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000191811019 882625027 /nfs/dbraw/zinc/62/50/27/882625027.db2.gz YRMWIDJEFPMXIX-UHFFFAOYSA-N 2 1 396.373 3.832 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1c(F)cccc1F ZINC000552437563 872649310 /nfs/dbraw/zinc/64/93/10/872649310.db2.gz KHNWGVNMGNGIED-UHFFFAOYSA-N 2 1 388.462 3.537 20 0 GHADMP CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076145010 882639196 /nfs/dbraw/zinc/63/91/96/882639196.db2.gz RUHOKFXZUJXSBO-FXAWDEMLSA-N 2 1 375.557 3.604 20 0 GHADMP CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076145010 882639203 /nfs/dbraw/zinc/63/92/03/882639203.db2.gz RUHOKFXZUJXSBO-FXAWDEMLSA-N 2 1 375.557 3.604 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1c(F)cccc1Cl ZINC000478386572 872920977 /nfs/dbraw/zinc/92/09/77/872920977.db2.gz AOEFYKOIDCFCRU-HZPDHXFCSA-N 2 1 398.954 3.598 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000448216246 873022701 /nfs/dbraw/zinc/02/27/01/873022701.db2.gz ATNFEZLVBALMOW-UYAOXDASSA-N 2 1 394.629 3.798 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000102421167 873056435 /nfs/dbraw/zinc/05/64/35/873056435.db2.gz HRDBKJNEIFKJAS-UHFFFAOYSA-N 2 1 379.342 3.935 20 0 GHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262251250 873077576 /nfs/dbraw/zinc/07/75/76/873077576.db2.gz QBZPQTJGFPYIJM-GLJUWKHASA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262251250 873077590 /nfs/dbraw/zinc/07/75/90/873077590.db2.gz QBZPQTJGFPYIJM-GLJUWKHASA-N 2 1 384.351 3.635 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2Br)cc1 ZINC000768175539 873131688 /nfs/dbraw/zinc/13/16/88/873131688.db2.gz SWXXXZIVYXDYFT-UHFFFAOYSA-N 2 1 390.325 3.581 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cc1 ZINC000768175539 873131695 /nfs/dbraw/zinc/13/16/95/873131695.db2.gz SWXXXZIVYXDYFT-UHFFFAOYSA-N 2 1 390.325 3.581 20 0 GHADMP COC(=O)COc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000541227451 873156932 /nfs/dbraw/zinc/15/69/32/873156932.db2.gz KDVZSWDXDNZTGY-UHFFFAOYSA-N 2 1 396.531 3.582 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000541223011 873182404 /nfs/dbraw/zinc/18/24/04/873182404.db2.gz CYDZDNAHNADJHH-DNVCBOLYSA-N 2 1 381.358 3.653 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnn3-c3ccccc3)CC2)CC1 ZINC000448339790 873223871 /nfs/dbraw/zinc/22/38/71/873223871.db2.gz RJFRKEHCLOGPTQ-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP CN(C)Cc1cc(CNCc2ncc(Cl)cc2Br)ccc1F ZINC000527662456 873414995 /nfs/dbraw/zinc/41/49/95/873414995.db2.gz QSRSHICEMIECSR-UHFFFAOYSA-N 2 1 386.696 3.988 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000768927048 873697576 /nfs/dbraw/zinc/69/75/76/873697576.db2.gz PNIODQVIPFUSQZ-UHFFFAOYSA-N 2 1 376.545 3.981 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000760161433 882749621 /nfs/dbraw/zinc/74/96/21/882749621.db2.gz VCLMVDJQLBRAIA-XLIONFOSSA-N 2 1 375.557 3.585 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000760161432 882750198 /nfs/dbraw/zinc/75/01/98/882750198.db2.gz VCLMVDJQLBRAIA-PXNSSMCTSA-N 2 1 375.557 3.585 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001197285375 873713003 /nfs/dbraw/zinc/71/30/03/873713003.db2.gz PLGNSWYANINWFM-UHFFFAOYSA-N 2 1 381.948 3.875 20 0 GHADMP c1coc([C@@H](NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)c1 ZINC000541545425 873804904 /nfs/dbraw/zinc/80/49/04/873804904.db2.gz FKAAUSMGEKSZMJ-QHCPKHFHSA-N 2 1 376.504 3.566 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(C)[nH]c3ccc(F)cc32)[C@@H](C)C1 ZINC000527993921 873861022 /nfs/dbraw/zinc/86/10/22/873861022.db2.gz FZWOIYSALXMUJO-KKSFZXQISA-N 2 1 375.532 3.885 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)c1ccccc1 ZINC000465420490 882790705 /nfs/dbraw/zinc/79/07/05/882790705.db2.gz DEGWTCSMMXENDZ-BHIFYINESA-N 2 1 386.584 3.726 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC001198202492 874270548 /nfs/dbraw/zinc/27/05/48/874270548.db2.gz NVAUDJONPYKADJ-PKTZIBPZSA-N 2 1 393.575 3.921 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528260947 874278191 /nfs/dbraw/zinc/27/81/91/874278191.db2.gz DEWFDKWJKQNEFS-FQEVSTJZSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528260947 874278204 /nfs/dbraw/zinc/27/82/04/874278204.db2.gz DEWFDKWJKQNEFS-FQEVSTJZSA-N 2 1 377.960 3.541 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449011197 874356948 /nfs/dbraw/zinc/35/69/48/874356948.db2.gz PEJUFBQMMIUBBM-GOSISDBHSA-N 2 1 380.598 3.638 20 0 GHADMP CCn1nnc(C)c1CNC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159296 874538371 /nfs/dbraw/zinc/53/83/71/874538371.db2.gz ZBRZBQHALGRJEK-APWZRJJASA-N 2 1 395.473 3.798 20 0 GHADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000449151159 874540136 /nfs/dbraw/zinc/54/01/36/874540136.db2.gz WHAXAQRVUSDNNM-LSDHHAIUSA-N 2 1 375.340 3.587 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000770322286 874597429 /nfs/dbraw/zinc/59/74/29/874597429.db2.gz BZLSSCMUHWJENE-FYYLOGMGSA-N 2 1 386.511 3.854 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464841898 874613481 /nfs/dbraw/zinc/61/34/81/874613481.db2.gz YXMOUVQIGPPZFL-OAQYLSRUSA-N 2 1 393.531 3.672 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000464841898 874613486 /nfs/dbraw/zinc/61/34/86/874613486.db2.gz YXMOUVQIGPPZFL-OAQYLSRUSA-N 2 1 393.531 3.672 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000464841898 874613493 /nfs/dbraw/zinc/61/34/93/874613493.db2.gz YXMOUVQIGPPZFL-OAQYLSRUSA-N 2 1 393.531 3.672 20 0 GHADMP CC(=O)c1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000464841898 874613498 /nfs/dbraw/zinc/61/34/98/874613498.db2.gz YXMOUVQIGPPZFL-OAQYLSRUSA-N 2 1 393.531 3.672 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)CC2)nc(C)[nH+]1 ZINC000449225145 874615833 /nfs/dbraw/zinc/61/58/33/874615833.db2.gz NYDGJSIDMYVTKF-INIZCTEOSA-N 2 1 376.426 3.757 20 0 GHADMP COc1cccc2c(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)cccc12 ZINC000449232854 874624618 /nfs/dbraw/zinc/62/46/18/874624618.db2.gz JHQKMJKNEICWAG-NRFANRHFSA-N 2 1 376.500 3.705 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001198808591 874644409 /nfs/dbraw/zinc/64/44/09/874644409.db2.gz BWUPXTBIGYCRPQ-GOSISDBHSA-N 2 1 390.572 3.760 20 0 GHADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(F)cc2)n1 ZINC000449292201 874703174 /nfs/dbraw/zinc/70/31/74/874703174.db2.gz CDUBHRUBEATWMR-LJQANCHMSA-N 2 1 378.495 3.838 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000302991638 874756543 /nfs/dbraw/zinc/75/65/43/874756543.db2.gz FZYFVOBASXWKSY-GOTSBHOMSA-N 2 1 388.596 3.795 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000302991638 874756554 /nfs/dbraw/zinc/75/65/54/874756554.db2.gz FZYFVOBASXWKSY-GOTSBHOMSA-N 2 1 388.596 3.795 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000449339183 874757832 /nfs/dbraw/zinc/75/78/32/874757832.db2.gz XHUHUXLAPREGHX-IBGZPJMESA-N 2 1 389.543 3.724 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000537650634 882863629 /nfs/dbraw/zinc/86/36/29/882863629.db2.gz PCEKBPQIGQSQPE-UHFFFAOYSA-N 2 1 388.531 3.582 20 0 GHADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC001199143102 874819829 /nfs/dbraw/zinc/81/98/29/874819829.db2.gz CJVZWNAAYLHPNP-DNQXCXABSA-N 2 1 399.623 3.910 20 0 GHADMP CCC(CC)[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC001199143102 874819839 /nfs/dbraw/zinc/81/98/39/874819839.db2.gz CJVZWNAAYLHPNP-DNQXCXABSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC001199344131 874915832 /nfs/dbraw/zinc/91/58/32/874915832.db2.gz FWSGPIADXLRAHE-HNNXBMFYSA-N 2 1 397.357 3.965 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000449493163 874927432 /nfs/dbraw/zinc/92/74/32/874927432.db2.gz DJPGAFPSWXNLSK-QHCPKHFHSA-N 2 1 385.596 3.619 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000449493163 874927445 /nfs/dbraw/zinc/92/74/45/874927445.db2.gz DJPGAFPSWXNLSK-QHCPKHFHSA-N 2 1 385.596 3.619 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000449493163 874927458 /nfs/dbraw/zinc/92/74/58/874927458.db2.gz DJPGAFPSWXNLSK-QHCPKHFHSA-N 2 1 385.596 3.619 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCc3ccc(C(C)C)cc3)C2)CC1 ZINC000449493163 874927474 /nfs/dbraw/zinc/92/74/74/874927474.db2.gz DJPGAFPSWXNLSK-QHCPKHFHSA-N 2 1 385.596 3.619 20 0 GHADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199369495 874949243 /nfs/dbraw/zinc/94/92/43/874949243.db2.gz KITZPSPSCZQJKJ-CVDCTZTESA-N 2 1 392.547 3.664 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199369495 874949250 /nfs/dbraw/zinc/94/92/50/874949250.db2.gz KITZPSPSCZQJKJ-CVDCTZTESA-N 2 1 392.547 3.664 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000134432775 882886733 /nfs/dbraw/zinc/88/67/33/882886733.db2.gz YXZJNNHQLZXAAY-AVMZVFHNSA-N 2 1 392.975 3.505 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000134432775 882886751 /nfs/dbraw/zinc/88/67/51/882886751.db2.gz YXZJNNHQLZXAAY-AVMZVFHNSA-N 2 1 392.975 3.505 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cncc(Br)c1 ZINC000542257215 875263709 /nfs/dbraw/zinc/26/37/09/875263709.db2.gz JPZZJZGFHSDPDM-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP c1ccc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CC[NH+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201412258 875672843 /nfs/dbraw/zinc/67/28/43/875672843.db2.gz VFTPTCHEHXPODT-PFATUAPWSA-N 2 1 395.591 3.988 20 0 GHADMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@H+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201412258 875672851 /nfs/dbraw/zinc/67/28/51/875672851.db2.gz VFTPTCHEHXPODT-PFATUAPWSA-N 2 1 395.591 3.988 20 0 GHADMP c1ccc(COC[C@H]2C[NH+](CC3CC3)C[C@@]23CC[N@@H+](C[C@@H]2CC=CCC2)C3)nc1 ZINC001201412258 875672854 /nfs/dbraw/zinc/67/28/54/875672854.db2.gz VFTPTCHEHXPODT-PFATUAPWSA-N 2 1 395.591 3.988 20 0 GHADMP C[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(N2CCCCC2)CC1 ZINC000172753367 875899958 /nfs/dbraw/zinc/89/99/58/875899958.db2.gz IEBCLMCKFFOZMF-UHFFFAOYSA-N 2 1 384.351 3.674 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)s2)o1 ZINC001201954389 875952510 /nfs/dbraw/zinc/95/25/10/875952510.db2.gz NSQMEEAZELGQRL-SFHVURJKSA-N 2 1 383.517 3.568 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCCC(F)(F)F)CC3)C2)c1 ZINC001202406077 876177632 /nfs/dbraw/zinc/17/76/32/876177632.db2.gz YQAXIZALJJPLBE-UHFFFAOYSA-N 2 1 386.458 3.705 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCCC(F)(F)F)CC3)C2)c1 ZINC001202406077 876177641 /nfs/dbraw/zinc/17/76/41/876177641.db2.gz YQAXIZALJJPLBE-UHFFFAOYSA-N 2 1 386.458 3.705 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000786107584 876449078 /nfs/dbraw/zinc/44/90/78/876449078.db2.gz YIKZJGKJMVPSCO-UHFFFAOYSA-N 2 1 384.524 3.610 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2C1 ZINC000850029417 876615232 /nfs/dbraw/zinc/61/52/32/876615232.db2.gz IIOWCEHASWPRDT-SFHVURJKSA-N 2 1 385.552 3.554 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cccc2C1 ZINC000850029105 876615390 /nfs/dbraw/zinc/61/53/90/876615390.db2.gz GEJAVRYSAHHMAM-KRWDZBQOSA-N 2 1 385.552 3.554 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000173953894 876742761 /nfs/dbraw/zinc/74/27/61/876742761.db2.gz UQYYAYLGJZFVBI-GOSISDBHSA-N 2 1 384.524 3.683 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3c(C)c[nH+]c4c(C)cccc43)C2)CC1 ZINC000450772114 876866665 /nfs/dbraw/zinc/86/66/65/876866665.db2.gz KNYZHPICFWSUKF-OAQYLSRUSA-N 2 1 394.563 3.622 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816429 876971829 /nfs/dbraw/zinc/97/18/29/876971829.db2.gz VOCGLFXACFNCLA-FPOVZHCZSA-N 2 1 392.547 3.779 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)cc2)C1 ZINC000850509496 876981292 /nfs/dbraw/zinc/98/12/92/876981292.db2.gz QTCDNYULDADSBG-ZEQRLZLVSA-N 2 1 380.532 3.511 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnn1-c1ccccc1 ZINC000850509645 876981877 /nfs/dbraw/zinc/98/18/77/876981877.db2.gz SJHYMPFREWNTDB-FDDCHVKYSA-N 2 1 390.531 3.598 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000390932293 877012336 /nfs/dbraw/zinc/01/23/36/877012336.db2.gz LGJLPKLGFNVISR-TZIWHRDSSA-N 2 1 388.577 3.516 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000390932293 877012348 /nfs/dbraw/zinc/01/23/48/877012348.db2.gz LGJLPKLGFNVISR-TZIWHRDSSA-N 2 1 388.577 3.516 20 0 GHADMP CCCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000193069999 883086982 /nfs/dbraw/zinc/08/69/82/883086982.db2.gz NJGLUTNAEKNXKE-VQTJNVASSA-N 2 1 384.524 3.592 20 0 GHADMP CCCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000193069999 883086999 /nfs/dbraw/zinc/08/69/99/883086999.db2.gz NJGLUTNAEKNXKE-VQTJNVASSA-N 2 1 384.524 3.592 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000786907285 877020969 /nfs/dbraw/zinc/02/09/69/877020969.db2.gz VSKZEKOWNMTDJV-JQVVWYNYSA-N 2 1 392.547 3.777 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850580465 877053278 /nfs/dbraw/zinc/05/32/78/877053278.db2.gz NENAKVHIGJAPMW-YYFZDKIDSA-N 2 1 378.438 3.638 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000787225282 877278547 /nfs/dbraw/zinc/27/85/47/877278547.db2.gz CTMMTYMSAFBTSX-HXUWFJFHSA-N 2 1 386.584 3.862 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](Oc4ccccc4)C3(C)C)CC2)nc(C)[nH+]1 ZINC000551533305 877393592 /nfs/dbraw/zinc/39/35/92/877393592.db2.gz KLLVSNKOGQLSCE-NHCUHLMSSA-N 2 1 380.536 3.898 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000477313302 877411410 /nfs/dbraw/zinc/41/14/10/877411410.db2.gz BVEQPJZFTNDBED-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066411 912259052 /nfs/dbraw/zinc/25/90/52/912259052.db2.gz ZCDUDIFICZOVBA-MOPGFXCFSA-N 2 1 397.604 3.503 20 0 GHADMP c1ccc(COC[C@H]2CC[N@@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)cc1 ZINC000551699425 877664484 /nfs/dbraw/zinc/66/44/84/877664484.db2.gz ANUQBJRSRWYFJE-LOSJGSFVSA-N 2 1 394.559 3.816 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1CN(C)Cc1ccco1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175683309 877845472 /nfs/dbraw/zinc/84/54/72/877845472.db2.gz KTGLKSGJUFAMMY-OTWHNJEPSA-N 2 1 383.536 3.789 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000175683309 877845476 /nfs/dbraw/zinc/84/54/76/877845476.db2.gz KTGLKSGJUFAMMY-OTWHNJEPSA-N 2 1 383.536 3.789 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175683309 877845491 /nfs/dbraw/zinc/84/54/91/877845491.db2.gz KTGLKSGJUFAMMY-OTWHNJEPSA-N 2 1 383.536 3.789 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000175683309 877845507 /nfs/dbraw/zinc/84/55/07/877845507.db2.gz KTGLKSGJUFAMMY-OTWHNJEPSA-N 2 1 383.536 3.789 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000175683309 877845524 /nfs/dbraw/zinc/84/55/24/877845524.db2.gz KTGLKSGJUFAMMY-OTWHNJEPSA-N 2 1 383.536 3.789 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000788669926 878262251 /nfs/dbraw/zinc/26/22/51/878262251.db2.gz GPHNSQVRLKCHGL-RTWAWAEBSA-N 2 1 387.568 3.998 20 0 GHADMP COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000788756278 878291595 /nfs/dbraw/zinc/29/15/95/878291595.db2.gz VVHMNPIISOFBEW-GRTSPXDGSA-N 2 1 387.568 3.886 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1)CC1CC1 ZINC000537817947 878337564 /nfs/dbraw/zinc/33/75/64/878337564.db2.gz MHHXXUBCQUVZLC-QFIPXVFZSA-N 2 1 375.601 3.754 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1)CC1CC1 ZINC000537817947 878337576 /nfs/dbraw/zinc/33/75/76/878337576.db2.gz MHHXXUBCQUVZLC-QFIPXVFZSA-N 2 1 375.601 3.754 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1)CC1CC1 ZINC000537817947 878337588 /nfs/dbraw/zinc/33/75/88/878337588.db2.gz MHHXXUBCQUVZLC-QFIPXVFZSA-N 2 1 375.601 3.754 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000537861964 878410290 /nfs/dbraw/zinc/41/02/90/878410290.db2.gz UAIBAZIXFDJSMP-UHFFFAOYSA-N 2 1 387.597 3.501 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000537861964 878410299 /nfs/dbraw/zinc/41/02/99/878410299.db2.gz UAIBAZIXFDJSMP-UHFFFAOYSA-N 2 1 387.597 3.501 20 0 GHADMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000176817909 878418836 /nfs/dbraw/zinc/41/88/36/878418836.db2.gz QFWQZUXGOSHAAC-UHFFFAOYSA-N 2 1 394.441 3.722 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)ccc21 ZINC000667041155 878584481 /nfs/dbraw/zinc/58/44/81/878584481.db2.gz LNLFBHIBCZXLFQ-IBGZPJMESA-N 2 1 388.519 3.702 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000537960610 878592810 /nfs/dbraw/zinc/59/28/10/878592810.db2.gz BMSPQOPDVXLPSY-SIKLNZKXSA-N 2 1 380.532 3.891 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000537960610 878592827 /nfs/dbraw/zinc/59/28/27/878592827.db2.gz BMSPQOPDVXLPSY-SIKLNZKXSA-N 2 1 380.532 3.891 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C=C2CC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000852870454 878638818 /nfs/dbraw/zinc/63/88/18/878638818.db2.gz CNNCQXZFGWFWMN-PXNSSMCTSA-N 2 1 395.469 3.514 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000616267796 878733893 /nfs/dbraw/zinc/73/38/93/878733893.db2.gz VIVKUSGKOCEFFD-FQEVSTJZSA-N 2 1 383.511 3.781 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)c(C)c2)CC1 ZINC000177625256 878782846 /nfs/dbraw/zinc/78/28/46/878782846.db2.gz KNXDFMXWPPROOK-HXUWFJFHSA-N 2 1 398.595 3.730 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177682068 878813024 /nfs/dbraw/zinc/81/30/24/878813024.db2.gz HSXBXBBXWGQSRR-IBGZPJMESA-N 2 1 387.543 3.561 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1c(F)cccc1F ZINC000853120254 878827294 /nfs/dbraw/zinc/82/72/94/878827294.db2.gz JBOBUOLLEPZCHP-RXVVDRJESA-N 2 1 386.486 3.890 20 0 GHADMP O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCN1Cc1ccccc1 ZINC000789353456 878841495 /nfs/dbraw/zinc/84/14/95/878841495.db2.gz UWYFJGSOMNQPNT-JOCHJYFZSA-N 2 1 392.547 3.590 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C ZINC001183282655 912393894 /nfs/dbraw/zinc/39/38/94/912393894.db2.gz WEPFNOUEKDTGOD-AZUAARDMSA-N 2 1 389.584 3.895 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000122410987 878895402 /nfs/dbraw/zinc/89/54/02/878895402.db2.gz OZQLWLRTOJJOHO-OXQOHEQNSA-N 2 1 378.944 3.953 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000531020614 878929610 /nfs/dbraw/zinc/92/96/10/878929610.db2.gz WYGFCKBNZOHOSB-DYESRHJHSA-N 2 1 381.524 3.512 20 0 GHADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccco1 ZINC000461010026 878958983 /nfs/dbraw/zinc/95/89/83/878958983.db2.gz XZPDXBATZYLPDZ-VQIMIIECSA-N 2 1 399.539 3.512 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC[N@H+](Cc2ccccc2)C1 ZINC001183301492 912408781 /nfs/dbraw/zinc/40/87/81/912408781.db2.gz WHIGSIAGGUOPEG-RFDPFLLZSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001183301492 912408791 /nfs/dbraw/zinc/40/87/91/912408791.db2.gz WHIGSIAGGUOPEG-RFDPFLLZSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@]1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC[NH+](Cc2ccccc2)C1 ZINC001183301492 912408759 /nfs/dbraw/zinc/40/87/59/912408759.db2.gz WHIGSIAGGUOPEG-RFDPFLLZSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC[NH+](Cc2ccccc2)C1 ZINC001183301492 912408770 /nfs/dbraw/zinc/40/87/70/912408770.db2.gz WHIGSIAGGUOPEG-RFDPFLLZSA-N 2 1 388.621 3.910 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000538267954 879153179 /nfs/dbraw/zinc/15/31/79/879153179.db2.gz WKXKMDCDBWMION-MRXNPFEDSA-N 2 1 378.476 3.869 20 0 GHADMP CC[C@H](Cc1ccccc1)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531188584 879280466 /nfs/dbraw/zinc/28/04/66/879280466.db2.gz ZTCIEWUUTDYKKY-HSZRJFAPSA-N 2 1 399.623 3.910 20 0 GHADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC000180733291 879280908 /nfs/dbraw/zinc/28/09/08/879280908.db2.gz OEFAGWMEXREGEX-QUCCMNQESA-N 2 1 385.552 3.900 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC000180733291 879280924 /nfs/dbraw/zinc/28/09/24/879280924.db2.gz OEFAGWMEXREGEX-QUCCMNQESA-N 2 1 385.552 3.900 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC000180733291 879280941 /nfs/dbraw/zinc/28/09/41/879280941.db2.gz OEFAGWMEXREGEX-QUCCMNQESA-N 2 1 385.552 3.900 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3N(C(=O)OC(C)(C)C)CC4)CC[C@@H]21 ZINC000180733291 879280959 /nfs/dbraw/zinc/28/09/59/879280959.db2.gz OEFAGWMEXREGEX-QUCCMNQESA-N 2 1 385.552 3.900 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000246274695 879326901 /nfs/dbraw/zinc/32/69/01/879326901.db2.gz JIRSPNDAULVPJY-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246351724 879445904 /nfs/dbraw/zinc/44/59/04/879445904.db2.gz HSNZFJTXIXMWQD-YTFSRNRJSA-N 2 1 384.564 3.747 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000246374754 879474165 /nfs/dbraw/zinc/47/41/65/879474165.db2.gz MDQGJNBLIWLKGF-RZUBCFFCSA-N 2 1 386.584 3.585 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000538447008 879505494 /nfs/dbraw/zinc/50/54/94/879505494.db2.gz SQTVSFKDRYHVPD-UHFFFAOYSA-N 2 1 397.357 3.988 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000246415293 879540464 /nfs/dbraw/zinc/54/04/64/879540464.db2.gz SFVZJUVCLULCEK-DOADOZAASA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246415293 879540480 /nfs/dbraw/zinc/54/04/80/879540480.db2.gz SFVZJUVCLULCEK-DOADOZAASA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246415293 879540492 /nfs/dbraw/zinc/54/04/92/879540492.db2.gz SFVZJUVCLULCEK-DOADOZAASA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000246468474 879588742 /nfs/dbraw/zinc/58/87/42/879588742.db2.gz KERSLFAGTBXYJI-SNJCGAMXSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000246468474 879588747 /nfs/dbraw/zinc/58/87/47/879588747.db2.gz KERSLFAGTBXYJI-SNJCGAMXSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000246468474 879588754 /nfs/dbraw/zinc/58/87/54/879588754.db2.gz KERSLFAGTBXYJI-SNJCGAMXSA-N 2 1 398.595 3.696 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246487750 879611151 /nfs/dbraw/zinc/61/11/51/879611151.db2.gz GYYHSRTXWQWIQQ-DBVUQKKJSA-N 2 1 387.593 3.533 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CCO1 ZINC000538507313 879626623 /nfs/dbraw/zinc/62/66/23/879626623.db2.gz WDHJSFVYNFFCCP-ADGBJGEGSA-N 2 1 388.596 3.989 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)C[C@H](C)O1 ZINC000493737872 879627103 /nfs/dbraw/zinc/62/71/03/879627103.db2.gz OCRALWBUKYDFAB-NQDIBGKZSA-N 2 1 384.564 3.733 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC[N@H+]1C ZINC000246564756 879688815 /nfs/dbraw/zinc/68/88/15/879688815.db2.gz ZDRHRYKFIOSSCP-LSTHTHJFSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cc(NC(=O)C[NH+]2CCCC[C@H]2C)ccc1F ZINC000538546075 879692688 /nfs/dbraw/zinc/69/26/88/879692688.db2.gz MQJDVBNEWLHXNR-WOCWXWTJSA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000538546075 879692693 /nfs/dbraw/zinc/69/26/93/879692693.db2.gz MQJDVBNEWLHXNR-WOCWXWTJSA-N 2 1 390.547 3.779 20 0 GHADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000538546075 879692696 /nfs/dbraw/zinc/69/26/96/879692696.db2.gz MQJDVBNEWLHXNR-WOCWXWTJSA-N 2 1 390.547 3.779 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000493928886 879740302 /nfs/dbraw/zinc/74/03/02/879740302.db2.gz VRJYCLDNESNJJL-ROUUACIJSA-N 2 1 381.358 3.571 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000246688197 879757479 /nfs/dbraw/zinc/75/74/79/879757479.db2.gz AAQBNEDIHGFJMS-MBJRSGMTSA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000246688197 879757490 /nfs/dbraw/zinc/75/74/90/879757490.db2.gz AAQBNEDIHGFJMS-MBJRSGMTSA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000246688197 879757500 /nfs/dbraw/zinc/75/75/00/879757500.db2.gz AAQBNEDIHGFJMS-MBJRSGMTSA-N 2 1 398.595 3.602 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(OC)[C@H](C)c3ccccc3C)CC2)CC1 ZINC000854522510 879877542 /nfs/dbraw/zinc/87/75/42/879877542.db2.gz USBAPPPRBQBVPL-LJQANCHMSA-N 2 1 387.568 3.642 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000494068284 879890327 /nfs/dbraw/zinc/89/03/27/879890327.db2.gz GEQSHQDBQDQTCF-YKSBVNFPSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000247091367 879916076 /nfs/dbraw/zinc/91/60/76/879916076.db2.gz PLFZGBILHVQYSS-QZTJIDSGSA-N 2 1 382.504 3.529 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000247091367 879916085 /nfs/dbraw/zinc/91/60/85/879916085.db2.gz PLFZGBILHVQYSS-QZTJIDSGSA-N 2 1 382.504 3.529 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247327838 879971908 /nfs/dbraw/zinc/97/19/08/879971908.db2.gz IVXBSUUXAAAATO-KCZVDYSFSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183156827 880064685 /nfs/dbraw/zinc/06/46/85/880064685.db2.gz UIKQBMWXFJUJDQ-YFNKSVMNSA-N 2 1 380.580 3.860 20 0 GHADMP Cc1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000184654629 880355319 /nfs/dbraw/zinc/35/53/19/880355319.db2.gz KCZOMLRNVZYQOI-CVDCTZTESA-N 2 1 394.563 3.818 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)CC1 ZINC001183480355 912570669 /nfs/dbraw/zinc/57/06/69/912570669.db2.gz ALKZMIWJYJGTBE-UHFFFAOYSA-N 2 1 375.513 3.570 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453110934 880480554 /nfs/dbraw/zinc/48/05/54/880480554.db2.gz PAZKJCBOYSDPCX-VHXCZSFDSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453110934 880480558 /nfs/dbraw/zinc/48/05/58/880480558.db2.gz PAZKJCBOYSDPCX-VHXCZSFDSA-N 3 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453110934 880480563 /nfs/dbraw/zinc/48/05/63/880480563.db2.gz PAZKJCBOYSDPCX-VHXCZSFDSA-N 3 1 397.607 3.520 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453153022 880531857 /nfs/dbraw/zinc/53/18/57/880531857.db2.gz YCTWYMNUTLTXQJ-BHDDXSALSA-N 2 1 395.547 3.741 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c(C(F)(F)F)n1 ZINC000453176459 880543151 /nfs/dbraw/zinc/54/31/51/880543151.db2.gz QUVYCKDXTRBZDC-QRVBRYPASA-N 2 1 392.469 3.972 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c(C(F)(F)F)n1 ZINC000453176459 880543162 /nfs/dbraw/zinc/54/31/62/880543162.db2.gz QUVYCKDXTRBZDC-QRVBRYPASA-N 2 1 392.469 3.972 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCN(c4ccccn4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453172310 880575826 /nfs/dbraw/zinc/57/58/26/880575826.db2.gz MUQVVKHSIZGFMQ-BXXSPATCSA-N 2 1 376.548 3.693 20 0 GHADMP CCSc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000185525933 880609930 /nfs/dbraw/zinc/60/99/30/880609930.db2.gz OWJKYYDTCLGFKP-OAQYLSRUSA-N 2 1 397.588 3.786 20 0 GHADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000531960565 880823864 /nfs/dbraw/zinc/82/38/64/880823864.db2.gz CQULOLXDBNRLRH-JLAWEPINSA-N 2 1 388.474 3.522 20 0 GHADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000531960565 880823883 /nfs/dbraw/zinc/82/38/83/880823883.db2.gz CQULOLXDBNRLRH-JLAWEPINSA-N 2 1 388.474 3.522 20 0 GHADMP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453390097 880886053 /nfs/dbraw/zinc/88/60/53/880886053.db2.gz CXARRVGNOBANIW-RTWAWAEBSA-N 2 1 378.582 3.544 20 0 GHADMP COCCOCc1ccc(CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000643319226 912624866 /nfs/dbraw/zinc/62/48/66/912624866.db2.gz HPGQJZREKKFJJT-QHCPKHFHSA-N 2 1 382.548 3.992 20 0 GHADMP COCCOCc1ccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000643319226 912624878 /nfs/dbraw/zinc/62/48/78/912624878.db2.gz HPGQJZREKKFJJT-QHCPKHFHSA-N 2 1 382.548 3.992 20 0 GHADMP CCC[N@H+]1CCc2c(N)sc(NC(=O)[C@@H]3CC[NH+](Cc4ccccc4)C3)c2C1 ZINC001183564369 912631928 /nfs/dbraw/zinc/63/19/28/912631928.db2.gz MCOUDLDOZKQIRH-QGZVFWFLSA-N 2 1 398.576 3.559 20 0 GHADMP CCC[NH+]1CCc2c(N)sc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2C1 ZINC001183564369 912631934 /nfs/dbraw/zinc/63/19/34/912631934.db2.gz MCOUDLDOZKQIRH-QGZVFWFLSA-N 2 1 398.576 3.559 20 0 GHADMP CCC[NH+]1CCc2c(N)sc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2C1 ZINC001183564369 912631940 /nfs/dbraw/zinc/63/19/40/912631940.db2.gz MCOUDLDOZKQIRH-QGZVFWFLSA-N 2 1 398.576 3.559 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000132317246 881084987 /nfs/dbraw/zinc/08/49/87/881084987.db2.gz DJDYBJIVYFNKID-FQEVSTJZSA-N 3 1 381.564 3.942 20 0 GHADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)o2)cc1 ZINC001183532137 912641365 /nfs/dbraw/zinc/64/13/65/912641365.db2.gz APJSNHDRQRCBQH-KRWDZBQOSA-N 2 1 391.471 3.839 20 0 GHADMP CC[C@H](C)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000532139588 881278437 /nfs/dbraw/zinc/27/84/37/881278437.db2.gz IKKVIWDYVOFSFJ-OXJNMPFZSA-N 2 1 387.959 3.759 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)cs1 ZINC000181737182 883177169 /nfs/dbraw/zinc/17/71/69/883177169.db2.gz UWKGULCIIMUPGG-RLLQIKCJSA-N 2 1 377.598 3.711 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310151 912683853 /nfs/dbraw/zinc/68/38/53/912683853.db2.gz XBWXEXAIILXFBQ-HZPDHXFCSA-N 2 1 385.533 3.642 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310151 912683865 /nfs/dbraw/zinc/68/38/65/912683865.db2.gz XBWXEXAIILXFBQ-HZPDHXFCSA-N 2 1 385.533 3.642 20 0 GHADMP c1ccc(Cn2c(CNc3[nH+]cccc3N3CC[NH2+]CC3)nc3ccccc32)cc1 ZINC001170463277 883281695 /nfs/dbraw/zinc/28/16/95/883281695.db2.gz MAYCJWSRBGCOPG-UHFFFAOYSA-N 2 1 398.514 3.501 20 0 GHADMP CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643465017 912713587 /nfs/dbraw/zinc/71/35/87/912713587.db2.gz DFCKXIODTYMVOW-BTCOZLQPSA-N 2 1 376.504 3.963 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476968674 883493922 /nfs/dbraw/zinc/49/39/22/883493922.db2.gz DEXILZJPIZDYIB-RTBURBONSA-N 2 1 387.568 3.999 20 0 GHADMP COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476968674 883493928 /nfs/dbraw/zinc/49/39/28/883493928.db2.gz DEXILZJPIZDYIB-RTBURBONSA-N 2 1 387.568 3.999 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000476985544 883541808 /nfs/dbraw/zinc/54/18/08/883541808.db2.gz NSAPYAPWIFVBSA-QGZVFWFLSA-N 2 1 393.522 3.558 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000476985544 883541817 /nfs/dbraw/zinc/54/18/17/883541817.db2.gz NSAPYAPWIFVBSA-QGZVFWFLSA-N 2 1 393.522 3.558 20 0 GHADMP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215135 883668888 /nfs/dbraw/zinc/66/88/88/883668888.db2.gz ZXDFQBQGEXJLED-PNKSNWOJSA-N 2 1 383.580 3.654 20 0 GHADMP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215135 883668903 /nfs/dbraw/zinc/66/89/03/883668903.db2.gz ZXDFQBQGEXJLED-PNKSNWOJSA-N 2 1 383.580 3.654 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216143 883670639 /nfs/dbraw/zinc/67/06/39/883670639.db2.gz XRYFSMILTMQADY-HNNXBMFYSA-N 2 1 391.462 3.809 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859216143 883670660 /nfs/dbraw/zinc/67/06/60/883670660.db2.gz XRYFSMILTMQADY-HNNXBMFYSA-N 2 1 391.462 3.809 20 0 GHADMP Cc1ccccc1SC[C@H](C)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000859217454 883672274 /nfs/dbraw/zinc/67/22/74/883672274.db2.gz DRBKEBBAKHJOTJ-HMXCVIKNSA-N 2 1 375.626 3.681 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000859296774 883727001 /nfs/dbraw/zinc/72/70/01/883727001.db2.gz PIUSOUGWHDEIKF-FGZHOGPDSA-N 2 1 394.676 3.700 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455859111 884022550 /nfs/dbraw/zinc/02/25/50/884022550.db2.gz POBFUPPJGNGFRA-VSDWSMLSSA-N 2 1 392.547 3.878 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=S)NCC2CC[NH+](C)CC2)c1 ZINC000760468943 884121753 /nfs/dbraw/zinc/12/17/53/884121753.db2.gz VMKSKQSDGXUUKI-UHFFFAOYSA-N 2 1 385.581 3.683 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000105094113 884158186 /nfs/dbraw/zinc/15/81/86/884158186.db2.gz LFEZLPAQCUDQDV-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1cc(N2CCC[C@H](OC(=O)c3cccc(C[NH+]4CCCC4)c3)C2)nc(C)[nH+]1 ZINC000805877969 884170917 /nfs/dbraw/zinc/17/09/17/884170917.db2.gz CCTDBVALQAGJAJ-NRFANRHFSA-N 2 1 394.519 3.515 20 0 GHADMP C[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130108259 884183015 /nfs/dbraw/zinc/18/30/15/884183015.db2.gz GPAXYCRJEHIQEF-UHFFFAOYSA-N 2 1 390.890 3.661 20 0 GHADMP CC[C@@H]1CC([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496725 884302104 /nfs/dbraw/zinc/30/21/04/884302104.db2.gz LCHCAVMDUFBETH-XFKSJGNHSA-N 2 1 379.589 3.969 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCc3nc(Cl)ccc32)[C@H](c2ccccc2)C1 ZINC000806130736 884388944 /nfs/dbraw/zinc/38/89/44/884388944.db2.gz BMJIOWZRIYRMCS-FPOVZHCZSA-N 2 1 384.955 3.691 20 0 GHADMP CC[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000044277031 884812160 /nfs/dbraw/zinc/81/21/60/884812160.db2.gz CBJXYWZKMTVPMV-JOCHJYFZSA-N 2 1 380.536 3.707 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000107327580 885342473 /nfs/dbraw/zinc/34/24/73/885342473.db2.gz ZXNRCKCIJJETEK-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC000498707647 885390584 /nfs/dbraw/zinc/39/05/84/885390584.db2.gz VHRCESAUPVBUGD-ADHNFCLRSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000498707647 885390605 /nfs/dbraw/zinc/39/06/05/885390605.db2.gz VHRCESAUPVBUGD-ADHNFCLRSA-N 2 1 398.595 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000498707647 885390621 /nfs/dbraw/zinc/39/06/21/885390621.db2.gz VHRCESAUPVBUGD-ADHNFCLRSA-N 2 1 398.595 3.554 20 0 GHADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000130986554 885402667 /nfs/dbraw/zinc/40/26/67/885402667.db2.gz ZHPMIWGTZJNGHC-WMZHIEFXSA-N 2 1 383.584 3.908 20 0 GHADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000130986554 885402677 /nfs/dbraw/zinc/40/26/77/885402677.db2.gz ZHPMIWGTZJNGHC-WMZHIEFXSA-N 2 1 383.584 3.908 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC001275283021 912947917 /nfs/dbraw/zinc/94/79/17/912947917.db2.gz XYNDBSBUFAUBTF-HXUWFJFHSA-N 2 1 398.378 3.760 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000303620571 885653374 /nfs/dbraw/zinc/65/33/74/885653374.db2.gz CZOYTXDDZDQMRI-QGZVFWFLSA-N 2 1 392.563 3.587 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H]1c1ccccc1 ZINC000550643632 885690492 /nfs/dbraw/zinc/69/04/92/885690492.db2.gz AHYJSXCGZWJQGE-ZCYQVOJMSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H]1c1ccccc1 ZINC000550643632 885690499 /nfs/dbraw/zinc/69/04/99/885690499.db2.gz AHYJSXCGZWJQGE-ZCYQVOJMSA-N 3 1 393.575 3.568 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)[C@@H](C)C1 ZINC000495420384 885747993 /nfs/dbraw/zinc/74/79/93/885747993.db2.gz HMYRUJIBDMDSHT-QFBILLFUSA-N 2 1 398.389 3.588 20 0 GHADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000131461761 886108494 /nfs/dbraw/zinc/10/84/94/886108494.db2.gz KFSWPPZXZZIFOO-QGZVFWFLSA-N 2 1 383.355 3.580 20 0 GHADMP Cc1nc(CN2CC[N@H+](C3CCC([NH+](C)C)CC3)Cc3ccc(C)nc32)cs1 ZINC001168318823 886148726 /nfs/dbraw/zinc/14/87/26/886148726.db2.gz HLWLXNFGUWJSBL-UHFFFAOYSA-N 2 1 399.608 3.850 20 0 GHADMP Cc1ccc(N2CCC(C(=O)Nc3cccc(OCCC[NH+](C)C)c3)CC2)[nH+]c1 ZINC000110488227 886198616 /nfs/dbraw/zinc/19/86/16/886198616.db2.gz AJIQPTYNVHGQBC-UHFFFAOYSA-N 2 1 396.535 3.576 20 0 GHADMP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001131248881 886263487 /nfs/dbraw/zinc/26/34/87/886263487.db2.gz NSGMZTCRTMAWAL-NFBKMPQASA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001131248881 886263508 /nfs/dbraw/zinc/26/35/08/886263508.db2.gz NSGMZTCRTMAWAL-NFBKMPQASA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001131248881 886263529 /nfs/dbraw/zinc/26/35/29/886263529.db2.gz NSGMZTCRTMAWAL-NFBKMPQASA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001131248881 886263542 /nfs/dbraw/zinc/26/35/42/886263542.db2.gz NSGMZTCRTMAWAL-NFBKMPQASA-N 2 1 389.559 3.568 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)N2CCOCC2)o1 ZINC000118954677 886361699 /nfs/dbraw/zinc/36/16/99/886361699.db2.gz UFCVDVLJXDVZNA-AVRDEDQJSA-N 2 1 394.519 3.806 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)N2CCOCC2)o1 ZINC000118954885 886361871 /nfs/dbraw/zinc/36/18/71/886361871.db2.gz UFCVDVLJXDVZNA-GCJKJVERSA-N 2 1 394.519 3.806 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000116523491 886442498 /nfs/dbraw/zinc/44/24/98/886442498.db2.gz QVUQBADFUURSAQ-PMACEKPBSA-N 2 1 386.584 3.776 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Oc3ccccc3)nn2)CC1 ZINC000499052173 886473699 /nfs/dbraw/zinc/47/36/99/886473699.db2.gz AIYOUXBBMJJODN-UHFFFAOYSA-N 2 1 384.524 3.592 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000465553580 886523904 /nfs/dbraw/zinc/52/39/04/886523904.db2.gz VXRVQSMMPDONIJ-NHCUHLMSSA-N 2 1 388.600 3.831 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124693 886913218 /nfs/dbraw/zinc/91/32/18/886913218.db2.gz CILIZVHGFZSPQB-KPFFTGBYSA-N 2 1 397.485 3.594 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000648807013 886922960 /nfs/dbraw/zinc/92/29/60/886922960.db2.gz JGSIUGXPEIAYKZ-GBXCKJPGSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000648807013 886922976 /nfs/dbraw/zinc/92/29/76/886922976.db2.gz JGSIUGXPEIAYKZ-GBXCKJPGSA-N 2 1 394.563 3.911 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000126711700 887000224 /nfs/dbraw/zinc/00/02/24/887000224.db2.gz BENZKOQXXHISPD-OXJNMPFZSA-N 2 1 378.944 3.953 20 0 GHADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000809550059 887564803 /nfs/dbraw/zinc/56/48/03/887564803.db2.gz DNMRWIYGRUZFJW-UHFFFAOYSA-N 2 1 375.948 3.781 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@H]4CC[N@H+](C)C[C@@H]43)c2cc1Br ZINC000425251647 887729774 /nfs/dbraw/zinc/72/97/74/887729774.db2.gz YDRXXYSIYVAAFY-PXAZEXFGSA-N 2 1 376.298 3.536 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2cc1Br ZINC000425251647 887729780 /nfs/dbraw/zinc/72/97/80/887729780.db2.gz YDRXXYSIYVAAFY-PXAZEXFGSA-N 2 1 376.298 3.536 20 0 GHADMP CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000809767069 887755067 /nfs/dbraw/zinc/75/50/67/887755067.db2.gz XALASDQKFYLOHQ-UHFFFAOYSA-N 2 1 377.532 3.692 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952070 888018610 /nfs/dbraw/zinc/01/86/10/888018610.db2.gz OUZRCIFBRNNHDV-VAMGGRTRSA-N 2 1 381.605 3.981 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952070 888018622 /nfs/dbraw/zinc/01/86/22/888018622.db2.gz OUZRCIFBRNNHDV-VAMGGRTRSA-N 2 1 381.605 3.981 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952070 888018633 /nfs/dbraw/zinc/01/86/33/888018633.db2.gz OUZRCIFBRNNHDV-VAMGGRTRSA-N 2 1 381.605 3.981 20 0 GHADMP NC(=[NH2+])N(C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccccc1F ZINC001184408047 913206349 /nfs/dbraw/zinc/20/63/49/913206349.db2.gz UGULEKYXMUUZPY-HNNXBMFYSA-N 2 1 388.874 3.618 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001184411190 913210413 /nfs/dbraw/zinc/21/04/13/913210413.db2.gz UOBBCVAPLDKDFO-UGKGYDQZSA-N 2 1 379.589 3.735 20 0 GHADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc(Br)c1O ZINC000459376846 888408542 /nfs/dbraw/zinc/40/85/42/888408542.db2.gz NVHWURJYNPTBNE-ZFWWWQNUSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc(Br)c1O ZINC000459376846 888408549 /nfs/dbraw/zinc/40/85/49/888408549.db2.gz NVHWURJYNPTBNE-ZFWWWQNUSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc(Br)c1O ZINC000459376846 888408556 /nfs/dbraw/zinc/40/85/56/888408556.db2.gz NVHWURJYNPTBNE-ZFWWWQNUSA-N 2 1 385.346 3.858 20 0 GHADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc(Br)c1O ZINC000459376846 888408569 /nfs/dbraw/zinc/40/85/69/888408569.db2.gz NVHWURJYNPTBNE-ZFWWWQNUSA-N 2 1 385.346 3.858 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)s1 ZINC000865655347 888502494 /nfs/dbraw/zinc/50/24/94/888502494.db2.gz DYFLWYQJZMHWNR-INIZCTEOSA-N 2 1 386.487 3.616 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000194945427 888632797 /nfs/dbraw/zinc/63/27/97/888632797.db2.gz SZAIGUFORYZLRQ-KRWDZBQOSA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532764875 888909120 /nfs/dbraw/zinc/90/91/20/888909120.db2.gz ZDMWNFBVYDBKQN-VAMGGRTRSA-N 2 1 397.563 3.838 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCN(Cc4ccccn4)CC2)C3)cc1 ZINC000245653578 889170233 /nfs/dbraw/zinc/17/02/33/889170233.db2.gz DCLMLNZQCGWGCX-MPIKPJSNSA-N 2 1 390.575 3.831 20 0 GHADMP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000867986793 889248285 /nfs/dbraw/zinc/24/82/85/889248285.db2.gz DVGPZORUWAUSKQ-HNNXBMFYSA-N 2 1 392.322 3.553 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000465530363 889253976 /nfs/dbraw/zinc/25/39/76/889253976.db2.gz ZGKFYCZOSCZOKZ-IEBWSBKVSA-N 2 1 380.602 3.504 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868183822 889339972 /nfs/dbraw/zinc/33/99/72/889339972.db2.gz DJKATNAIOYQMDO-WTIAFYNJSA-N 2 1 392.547 3.877 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644530609 913345020 /nfs/dbraw/zinc/34/50/20/913345020.db2.gz KPMPLAFLOZMFKJ-GOTSBHOMSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000644533821 913347758 /nfs/dbraw/zinc/34/77/58/913347758.db2.gz JDVOPTCNHMYIHR-QFIPXVFZSA-N 2 1 393.531 3.547 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000454734564 889645638 /nfs/dbraw/zinc/64/56/38/889645638.db2.gz LWCYPDKWNPDETO-VQTJNVASSA-N 2 1 392.975 3.651 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000454734564 889645645 /nfs/dbraw/zinc/64/56/45/889645645.db2.gz LWCYPDKWNPDETO-VQTJNVASSA-N 2 1 392.975 3.651 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCN(c4ccccn4)CC2)C3)cc1 ZINC000245784088 889717498 /nfs/dbraw/zinc/71/74/98/889717498.db2.gz ZHESERSFQFISCE-WBDAEOGXSA-N 2 1 376.548 3.836 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000124999603 889842318 /nfs/dbraw/zinc/84/23/18/889842318.db2.gz LVCBBDHBWHLJKR-NHTMILBNSA-N 2 1 387.612 3.859 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC1)C2 ZINC001168267631 890556969 /nfs/dbraw/zinc/55/69/69/890556969.db2.gz NEDAEXMYJPOJRZ-NRFANRHFSA-N 2 1 395.547 3.898 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC1)C2 ZINC001168267631 890556981 /nfs/dbraw/zinc/55/69/81/890556981.db2.gz NEDAEXMYJPOJRZ-NRFANRHFSA-N 2 1 395.547 3.898 20 0 GHADMP CN(C)C[C@@](C)(O)C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000533563414 890852983 /nfs/dbraw/zinc/85/29/83/890852983.db2.gz XZEFNBYMJARNEQ-IBGZPJMESA-N 2 1 382.426 3.900 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3c2c(F)ccc3F)c2cccs2)CC1 ZINC000533581835 890894421 /nfs/dbraw/zinc/89/44/21/890894421.db2.gz HGILRNVKEQMCAR-ZWKOTPCHSA-N 2 1 377.504 3.592 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000127107492 890897115 /nfs/dbraw/zinc/89/71/15/890897115.db2.gz LPCHJVAXNXFONA-OAQYLSRUSA-N 2 1 392.563 3.582 20 0 GHADMP CC(C)(C)n1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(-c2ccccc2Cl)n1 ZINC000066586976 890995953 /nfs/dbraw/zinc/99/59/53/890995953.db2.gz DAQXUUKYMNAYSW-KRWDZBQOSA-N 2 1 390.959 3.505 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690674 891103486 /nfs/dbraw/zinc/10/34/86/891103486.db2.gz UIDCVJMPSPOUKP-SIKLNZKXSA-N 2 1 378.507 3.645 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC000246507380 891279276 /nfs/dbraw/zinc/27/92/76/891279276.db2.gz TVHSBHHSJRQEKO-LZJOCLMNSA-N 2 1 383.540 3.613 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H](C)C1 ZINC000246507380 891279291 /nfs/dbraw/zinc/27/92/91/891279291.db2.gz TVHSBHHSJRQEKO-LZJOCLMNSA-N 2 1 383.540 3.613 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)s1 ZINC000813786905 891974261 /nfs/dbraw/zinc/97/42/61/891974261.db2.gz UPPOAQKUYMOGCV-HNNXBMFYSA-N 2 1 394.585 3.617 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000813881347 892064675 /nfs/dbraw/zinc/06/46/75/892064675.db2.gz OUHLYUAIFSQQTJ-OXTAILBZSA-N 2 1 384.564 3.888 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261794669 892119610 /nfs/dbraw/zinc/11/96/10/892119610.db2.gz IMTIIVKJPXZFIW-NFBKMPQASA-N 2 1 393.531 3.559 20 0 GHADMP C[C@@H]1C[C@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)c1 ZINC000626121281 892126911 /nfs/dbraw/zinc/12/69/11/892126911.db2.gz DONWNBCXHNCVCQ-NCXUSEDFSA-N 2 1 394.987 3.526 20 0 GHADMP CCN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262168646 892236825 /nfs/dbraw/zinc/23/68/25/892236825.db2.gz ANPWHJBQKABZSO-VEXRBCSZSA-N 2 1 383.580 3.824 20 0 GHADMP CC[C@@H](C)Oc1ccccc1/C=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000729824054 892249900 /nfs/dbraw/zinc/24/99/00/892249900.db2.gz DVJZBSXACMSKCI-QZEKMECESA-N 2 1 394.519 3.663 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262462468 892282344 /nfs/dbraw/zinc/28/23/44/892282344.db2.gz VZBSRZBPWJBLQG-BMIPRAEKSA-N 2 1 381.923 3.507 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262462468 892282359 /nfs/dbraw/zinc/28/23/59/892282359.db2.gz VZBSRZBPWJBLQG-BMIPRAEKSA-N 2 1 381.923 3.507 20 0 GHADMP COC(=O)c1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n(C)c1C ZINC000814172741 892324446 /nfs/dbraw/zinc/32/44/46/892324446.db2.gz BFPGORDNGLVDCU-SEJPIABJSA-N 2 1 395.547 3.795 20 0 GHADMP COC(=O)c1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)n(C)c1C ZINC000814172741 892324471 /nfs/dbraw/zinc/32/44/71/892324471.db2.gz BFPGORDNGLVDCU-SEJPIABJSA-N 2 1 395.547 3.795 20 0 GHADMP C[C@H](Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708256 892774844 /nfs/dbraw/zinc/77/48/44/892774844.db2.gz ARYLBDWTIXQMBP-XUZZJYLKSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508708256 892774855 /nfs/dbraw/zinc/77/48/55/892774855.db2.gz ARYLBDWTIXQMBP-XUZZJYLKSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CCN(C)CC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508708256 892774865 /nfs/dbraw/zinc/77/48/65/892774865.db2.gz ARYLBDWTIXQMBP-XUZZJYLKSA-N 2 1 392.591 3.757 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)ncn1 ZINC000508708599 892775256 /nfs/dbraw/zinc/77/52/56/892775256.db2.gz CUHTYEWFWPTGJM-RRPUWOKSSA-N 2 1 393.579 3.508 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714123 892792481 /nfs/dbraw/zinc/79/24/81/892792481.db2.gz URPJXNBCPNWONB-SQJMNOBHSA-N 3 1 393.575 3.519 20 0 GHADMP C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713654 892830145 /nfs/dbraw/zinc/83/01/45/892830145.db2.gz UCRJACPCVQYKLA-QQURRQIPSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713654 892830164 /nfs/dbraw/zinc/83/01/64/892830164.db2.gz UCRJACPCVQYKLA-QQURRQIPSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713654 892830184 /nfs/dbraw/zinc/83/01/84/892830184.db2.gz UCRJACPCVQYKLA-QQURRQIPSA-N 2 1 377.532 3.681 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000068843795 892839203 /nfs/dbraw/zinc/83/92/03/892839203.db2.gz FDRVAWMPRAWUMP-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP c1cnn(-c2ccccc2C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001137098237 892873691 /nfs/dbraw/zinc/87/36/91/892873691.db2.gz RVRLPVFEWVKOQE-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753163 892916777 /nfs/dbraw/zinc/91/67/77/892916777.db2.gz MUYLVPKQLLWABC-YSFYHYPLSA-N 2 1 390.612 3.651 20 0 GHADMP C[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722369 892977011 /nfs/dbraw/zinc/97/70/11/892977011.db2.gz XLPYRLIEADOOSZ-AEFFLSMTSA-N 2 1 393.453 3.979 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000069160411 893175802 /nfs/dbraw/zinc/17/58/02/893175802.db2.gz FNKSYBMJFMSGFG-LJQANCHMSA-N 2 1 375.520 3.756 20 0 GHADMP COC(=O)c1csc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000876867079 893368127 /nfs/dbraw/zinc/36/81/27/893368127.db2.gz QSAIASFSVIQFPC-UHFFFAOYSA-N 2 1 387.549 3.925 20 0 GHADMP CCOc1cc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc(Cl)c1O ZINC000459403396 893433014 /nfs/dbraw/zinc/43/30/14/893433014.db2.gz BNIIZCYRRZECDV-UHFFFAOYSA-N 2 1 375.900 3.906 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@@H]1C ZINC000536658558 893438164 /nfs/dbraw/zinc/43/81/64/893438164.db2.gz GJUTWKCEDMAWOU-GHTZIAJQSA-N 2 1 383.536 3.974 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@@H]1C ZINC000536658558 893438176 /nfs/dbraw/zinc/43/81/76/893438176.db2.gz GJUTWKCEDMAWOU-GHTZIAJQSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@@H]1C ZINC000536658558 893438187 /nfs/dbraw/zinc/43/81/87/893438187.db2.gz GJUTWKCEDMAWOU-GHTZIAJQSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCc3cccnc3)c2)C[C@@H]1C ZINC000536658558 893438200 /nfs/dbraw/zinc/43/82/00/893438200.db2.gz GJUTWKCEDMAWOU-GHTZIAJQSA-N 2 1 383.536 3.974 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877033859 893448814 /nfs/dbraw/zinc/44/88/14/893448814.db2.gz PRCOHPPGMKPQBI-WUMKDDEVSA-N 2 1 396.531 3.695 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877033859 893448823 /nfs/dbraw/zinc/44/88/23/893448823.db2.gz PRCOHPPGMKPQBI-WUMKDDEVSA-N 2 1 396.531 3.695 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536666364 893483750 /nfs/dbraw/zinc/48/37/50/893483750.db2.gz IVMFMVTWJNZZAP-UZLBHIALSA-N 2 1 389.490 3.683 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536666364 893483755 /nfs/dbraw/zinc/48/37/55/893483755.db2.gz IVMFMVTWJNZZAP-UZLBHIALSA-N 2 1 389.490 3.683 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1([NH2+][C@@H](C)c3ccccc3)CCCC1)CC2 ZINC000563243476 893522513 /nfs/dbraw/zinc/52/25/13/893522513.db2.gz QURVGKYAAWSWJX-PXNSSMCTSA-N 2 1 380.536 3.534 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000611981597 893554159 /nfs/dbraw/zinc/55/41/59/893554159.db2.gz JPEJSGXQBUGODU-JOCHJYFZSA-N 2 1 379.548 3.950 20 0 GHADMP c1ncn(Cc2ccc(-c3ccccc3C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)n1 ZINC000459458127 893569815 /nfs/dbraw/zinc/56/98/15/893569815.db2.gz GHMNYKRXWJNBSI-UHFFFAOYSA-N 2 1 387.531 3.710 20 0 GHADMP C[N@@H+](CCCOc1ccc2c(c1)OCO2)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536713189 893589409 /nfs/dbraw/zinc/58/94/09/893589409.db2.gz JVXNVTQNYXQWQZ-UHFFFAOYSA-N 2 1 397.519 3.818 20 0 GHADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000536714345 893590845 /nfs/dbraw/zinc/59/08/45/893590845.db2.gz XDXVGIMYGFFCOJ-KNKQGSTJSA-N 2 1 386.584 3.561 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476350 893632818 /nfs/dbraw/zinc/63/28/18/893632818.db2.gz BMEPTOGVZQJQTJ-FXABVQRQSA-N 2 1 382.485 3.590 20 0 GHADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476350 893632824 /nfs/dbraw/zinc/63/28/24/893632824.db2.gz BMEPTOGVZQJQTJ-FXABVQRQSA-N 2 1 382.485 3.590 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCO1 ZINC000877642779 893739160 /nfs/dbraw/zinc/73/91/60/893739160.db2.gz UETGDFWLWBNXKL-IBGZPJMESA-N 2 1 377.529 3.576 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCO1 ZINC000877642779 893739163 /nfs/dbraw/zinc/73/91/63/893739163.db2.gz UETGDFWLWBNXKL-IBGZPJMESA-N 2 1 377.529 3.576 20 0 GHADMP CS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459533365 893749695 /nfs/dbraw/zinc/74/96/95/893749695.db2.gz XPCCWXFPNUXAQK-JOCHJYFZSA-N 2 1 392.609 3.578 20 0 GHADMP CS(=O)(=O)CCC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459533365 893749705 /nfs/dbraw/zinc/74/97/05/893749705.db2.gz XPCCWXFPNUXAQK-JOCHJYFZSA-N 2 1 392.609 3.578 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C[C@@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000459546666 893775978 /nfs/dbraw/zinc/77/59/78/893775978.db2.gz NPCZMVZQVSWDCR-SDHOMARFSA-N 2 1 375.560 3.682 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000563499176 893830309 /nfs/dbraw/zinc/83/03/09/893830309.db2.gz PAUFEDAPAMSERT-ICSRJNTNSA-N 2 1 392.547 3.755 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cccc4ccccc43)CC2)CC1 ZINC000563547307 893886948 /nfs/dbraw/zinc/88/69/48/893886948.db2.gz RZARRFBFOIRYLM-UHFFFAOYSA-N 2 1 393.575 3.995 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000536855683 893943947 /nfs/dbraw/zinc/94/39/47/893943947.db2.gz BXHUEVPMTHFSEO-OAHLLOKOSA-N 2 1 382.895 3.915 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C[C@@H]1c1ccccc1 ZINC000563654598 894028783 /nfs/dbraw/zinc/02/87/83/894028783.db2.gz FDYAQXYFPXFJQH-QERLCLQCSA-N 2 1 376.544 3.653 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000563659254 894035160 /nfs/dbraw/zinc/03/51/60/894035160.db2.gz ZMCFKFRTFYQUQC-OEMFJLHTSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000563659254 894035176 /nfs/dbraw/zinc/03/51/76/894035176.db2.gz ZMCFKFRTFYQUQC-OEMFJLHTSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000563659254 894035184 /nfs/dbraw/zinc/03/51/84/894035184.db2.gz ZMCFKFRTFYQUQC-OEMFJLHTSA-N 2 1 380.532 3.681 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000563659254 894035200 /nfs/dbraw/zinc/03/52/00/894035200.db2.gz ZMCFKFRTFYQUQC-OEMFJLHTSA-N 2 1 380.532 3.681 20 0 GHADMP C(C(C[N@H+]1CCC2(C1)CCOCC2)C1CCCC1)[NH+]1CCC2(C1)CCOCC2 ZINC000878152370 894053924 /nfs/dbraw/zinc/05/39/24/894053924.db2.gz KHZZJRDKYXVKLQ-UHFFFAOYSA-N 2 1 390.612 3.798 20 0 GHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000563932978 894344152 /nfs/dbraw/zinc/34/41/52/894344152.db2.gz DYWRUICICFQENW-XQBPLPMBSA-N 2 1 397.567 3.619 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573561 894396829 /nfs/dbraw/zinc/39/68/29/894396829.db2.gz LIZBFRYGWGBUDR-MOPGFXCFSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573561 894396839 /nfs/dbraw/zinc/39/68/39/894396839.db2.gz LIZBFRYGWGBUDR-MOPGFXCFSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573561 894396853 /nfs/dbraw/zinc/39/68/53/894396853.db2.gz LIZBFRYGWGBUDR-MOPGFXCFSA-N 2 1 378.582 3.538 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C[C@@H]1c1ccccc1 ZINC000645395106 913873383 /nfs/dbraw/zinc/87/33/83/913873383.db2.gz CRHCMKRJEIMBBO-DNQXCXABSA-N 2 1 387.527 3.822 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C[C@@H]1c1ccccc1 ZINC000645395106 913873400 /nfs/dbraw/zinc/87/34/00/913873400.db2.gz CRHCMKRJEIMBBO-DNQXCXABSA-N 2 1 387.527 3.822 20 0 GHADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)sc2C1 ZINC000564100506 894594975 /nfs/dbraw/zinc/59/49/75/894594975.db2.gz UOPLSCSKKYGEJG-KRWDZBQOSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000564100506 894594982 /nfs/dbraw/zinc/59/49/82/894594982.db2.gz UOPLSCSKKYGEJG-KRWDZBQOSA-N 2 1 398.576 3.760 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000564100506 894594990 /nfs/dbraw/zinc/59/49/90/894594990.db2.gz UOPLSCSKKYGEJG-KRWDZBQOSA-N 2 1 398.576 3.760 20 0 GHADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000537249129 894654757 /nfs/dbraw/zinc/65/47/57/894654757.db2.gz MYFUOYIFANVTMM-UHFFFAOYSA-N 2 1 389.584 3.534 20 0 GHADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000537249129 894654764 /nfs/dbraw/zinc/65/47/64/894654764.db2.gz MYFUOYIFANVTMM-UHFFFAOYSA-N 2 1 389.584 3.534 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293177 894716382 /nfs/dbraw/zinc/71/63/82/894716382.db2.gz XPRMVPSKVKLOPI-WMZOPIPTSA-N 2 1 379.504 3.824 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2c(ccc3ccccc23)o1 ZINC000537293177 894716390 /nfs/dbraw/zinc/71/63/90/894716390.db2.gz XPRMVPSKVKLOPI-WMZOPIPTSA-N 2 1 379.504 3.824 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000645454295 913907780 /nfs/dbraw/zinc/90/77/80/913907780.db2.gz YUJHNLPTCSFCML-CCDWMCETSA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000645454295 913907791 /nfs/dbraw/zinc/90/77/91/913907791.db2.gz YUJHNLPTCSFCML-CCDWMCETSA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1c1ccccc1 ZINC000645454295 913907798 /nfs/dbraw/zinc/90/77/98/913907798.db2.gz YUJHNLPTCSFCML-CCDWMCETSA-N 2 1 393.575 3.703 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1csc(CC(=O)Nc3ccccc3)n1)CC2 ZINC000879250080 894931411 /nfs/dbraw/zinc/93/14/11/894931411.db2.gz LVKHSNVCBLTLGI-UHFFFAOYSA-N 2 1 398.576 3.632 20 0 GHADMP O=C(Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000816765353 895058699 /nfs/dbraw/zinc/05/86/99/895058699.db2.gz BYDHTCMONCQPEZ-LJQANCHMSA-N 2 1 382.508 3.769 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCc4cccnc43)C3(C2)CCOCC3)cc1 ZINC000645490694 913933278 /nfs/dbraw/zinc/93/32/78/913933278.db2.gz MFAVYILPYUTSKQ-DHIUTWEWSA-N 2 1 391.559 3.977 20 0 GHADMP [NH3+][C@@H](CCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000564837015 895274464 /nfs/dbraw/zinc/27/44/64/895274464.db2.gz OGGAZTNYMIMYDH-QHCPKHFHSA-N 2 1 391.559 3.981 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847230 895280259 /nfs/dbraw/zinc/28/02/59/895280259.db2.gz KZDGEAOOWBZLNU-QPPBQGQZSA-N 2 1 396.575 3.864 20 0 GHADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000564987192 895339561 /nfs/dbraw/zinc/33/95/61/895339561.db2.gz SFENYHXRAHICOH-TUVASFSCSA-N 2 1 386.565 3.514 20 0 GHADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000565095763 895387546 /nfs/dbraw/zinc/38/75/46/895387546.db2.gz QYSKTIHLOWIZSO-QFIPXVFZSA-N 2 1 398.938 3.595 20 0 GHADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000565095763 895387558 /nfs/dbraw/zinc/38/75/58/895387558.db2.gz QYSKTIHLOWIZSO-QFIPXVFZSA-N 2 1 398.938 3.595 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc4ccccc4c3)CC2)CC1 ZINC000565177130 895442448 /nfs/dbraw/zinc/44/24/48/895442448.db2.gz JRCOYRSHAJRWQW-UHFFFAOYSA-N 2 1 379.548 3.652 20 0 GHADMP O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000817274467 895461482 /nfs/dbraw/zinc/46/14/82/895461482.db2.gz LNXGPMZKCUXFRJ-DEOSSOPVSA-N 2 1 398.522 3.604 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2c(C)nsc2C)CC1 ZINC000565342599 895548594 /nfs/dbraw/zinc/54/85/94/895548594.db2.gz ZIGGTIZDEVJBIF-AWEZNQCLSA-N 2 1 376.545 3.892 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1-n1ccnn1 ZINC000565353981 895558920 /nfs/dbraw/zinc/55/89/20/895558920.db2.gz MNRIXIAYTNJARH-DXIQSLLYSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1-n1ccnn1 ZINC000565353981 895558936 /nfs/dbraw/zinc/55/89/36/895558936.db2.gz MNRIXIAYTNJARH-DXIQSLLYSA-N 2 1 375.520 3.829 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000565599250 895750788 /nfs/dbraw/zinc/75/07/88/895750788.db2.gz UKRWLXCYOQOGHW-GJPOJAMWSA-N 2 1 393.531 3.743 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000565599250 895750796 /nfs/dbraw/zinc/75/07/96/895750796.db2.gz UKRWLXCYOQOGHW-GJPOJAMWSA-N 2 1 393.531 3.743 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001135953978 895761273 /nfs/dbraw/zinc/76/12/73/895761273.db2.gz HJDAVCZTYOZXDM-HSZRJFAPSA-N 2 1 397.538 3.948 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001135953978 895761294 /nfs/dbraw/zinc/76/12/94/895761294.db2.gz HJDAVCZTYOZXDM-HSZRJFAPSA-N 2 1 397.538 3.948 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C4CC4)cc3F)CC2)CC1 ZINC000880750519 895852591 /nfs/dbraw/zinc/85/25/91/895852591.db2.gz DNQCNDKWHLENDJ-UHFFFAOYSA-N 2 1 388.531 3.727 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000817893260 895950944 /nfs/dbraw/zinc/95/09/44/895950944.db2.gz QVDTZRSSRYGUFM-AOIWGVFYSA-N 2 1 377.548 3.748 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566009092 896045457 /nfs/dbraw/zinc/04/54/57/896045457.db2.gz AUCVPQSDZCWQGA-QFIPXVFZSA-N 2 1 377.532 3.512 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566009092 896045472 /nfs/dbraw/zinc/04/54/72/896045472.db2.gz AUCVPQSDZCWQGA-QFIPXVFZSA-N 2 1 377.532 3.512 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H](C)C2=CC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000566132592 896130588 /nfs/dbraw/zinc/13/05/88/896130588.db2.gz YRJQJZNQLIRSNM-NIJXNBFTSA-N 2 1 394.559 3.702 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC001136146854 896173784 /nfs/dbraw/zinc/17/37/84/896173784.db2.gz LJDCXLFQTDSKDJ-GOTSBHOMSA-N 2 1 385.596 3.568 20 0 GHADMP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245036 896196666 /nfs/dbraw/zinc/19/66/66/896196666.db2.gz XXJMJELXAJSMNA-KNKQGSTJSA-N 2 1 381.495 3.827 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000566388290 896281480 /nfs/dbraw/zinc/28/14/80/896281480.db2.gz LAKKWKGSXSTITG-YKSBVNFPSA-N 2 1 382.548 3.992 20 0 GHADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000566388290 896281491 /nfs/dbraw/zinc/28/14/91/896281491.db2.gz LAKKWKGSXSTITG-YKSBVNFPSA-N 2 1 382.548 3.992 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000566424109 896304439 /nfs/dbraw/zinc/30/44/39/896304439.db2.gz INHLINGVYCEWAC-RIFZZMRRSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000566424109 896304456 /nfs/dbraw/zinc/30/44/56/896304456.db2.gz INHLINGVYCEWAC-RIFZZMRRSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000566424109 896304472 /nfs/dbraw/zinc/30/44/72/896304472.db2.gz INHLINGVYCEWAC-RIFZZMRRSA-N 2 1 377.960 3.712 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCc4ccc(C)cc43)CC2)CC1 ZINC000566459734 896325251 /nfs/dbraw/zinc/32/52/51/896325251.db2.gz AQZGIURZYXNMCK-HSZRJFAPSA-N 2 1 383.580 3.685 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)[C@H]3CC4CCC3CC4)CC2)CC1 ZINC000566463517 896326586 /nfs/dbraw/zinc/32/65/86/896326586.db2.gz GAEIQFXQIXHIQR-AITKFJGESA-N 2 1 375.601 3.514 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000566470195 896330509 /nfs/dbraw/zinc/33/05/09/896330509.db2.gz OZFPLEVGSJRNTO-ISKFKSNPSA-N 2 1 397.607 3.883 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819016416 896350751 /nfs/dbraw/zinc/35/07/51/896350751.db2.gz YVYZKKIKGTYYGR-WIYYLYMNSA-N 2 1 392.465 3.893 20 0 GHADMP O[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000819326690 896570988 /nfs/dbraw/zinc/57/09/88/896570988.db2.gz UMOOVFMYXIIUHK-UCBGAZFYSA-N 2 1 382.523 3.904 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)c3cc(F)ccc3F)cc2)CC1 ZINC000819443642 896676509 /nfs/dbraw/zinc/67/65/09/896676509.db2.gz AKSLLAINVVCCQA-QFIPXVFZSA-N 2 1 389.490 3.888 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)[C@H]2CCC[C@H]21 ZINC000567130980 896898076 /nfs/dbraw/zinc/89/80/76/896898076.db2.gz MQBNYPVUENHVOA-AYOQOUSVSA-N 2 1 376.342 3.935 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000567264473 897019515 /nfs/dbraw/zinc/01/95/15/897019515.db2.gz QZJQEAVHPKBDPN-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000567563830 897254085 /nfs/dbraw/zinc/25/40/85/897254085.db2.gz LTESERCHKGUBRV-GOTSBHOMSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1ccc2cc[nH+]c(NCc3ccc(C[NH+]4CCC(C(N)=O)CC4)cc3)c2c1 ZINC000567767156 897386334 /nfs/dbraw/zinc/38/63/34/897386334.db2.gz CVXJLJRHDUCQJR-UHFFFAOYSA-N 2 1 388.515 3.853 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccc(F)cc3)C3CCOCC3)cc2)C1 ZINC000883234945 897393383 /nfs/dbraw/zinc/39/33/83/897393383.db2.gz PTAGFVNHVBRXPA-BJKOFHAPSA-N 2 1 398.522 3.650 20 0 GHADMP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000883585985 897735349 /nfs/dbraw/zinc/73/53/49/897735349.db2.gz BZLZDZSSIPHSBB-IERDGZPVSA-N 2 1 379.508 3.635 20 0 GHADMP CC[C@H](C(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000568572418 897946959 /nfs/dbraw/zinc/94/69/59/897946959.db2.gz GJQNVEKLTMNDDV-NKKJXINNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000568572418 897946971 /nfs/dbraw/zinc/94/69/71/897946971.db2.gz GJQNVEKLTMNDDV-NKKJXINNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000568572418 897946986 /nfs/dbraw/zinc/94/69/86/897946986.db2.gz GJQNVEKLTMNDDV-NKKJXINNSA-N 2 1 393.575 3.924 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001136513070 898118854 /nfs/dbraw/zinc/11/88/54/898118854.db2.gz PAGKEXSZOGJXAG-JOCHJYFZSA-N 2 1 375.601 3.944 20 0 GHADMP CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000821987596 898156299 /nfs/dbraw/zinc/15/62/99/898156299.db2.gz FLTAMLJWGBKPAM-SFHVURJKSA-N 2 1 379.932 3.624 20 0 GHADMP CC(C)[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCCC1 ZINC001136529712 898174599 /nfs/dbraw/zinc/17/45/99/898174599.db2.gz MLTVJPBRKZKJCT-HSZRJFAPSA-N 2 1 385.596 3.664 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000568959812 898244076 /nfs/dbraw/zinc/24/40/76/898244076.db2.gz LOCLSHOQZLAHGS-LEWJYISDSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000568959812 898244091 /nfs/dbraw/zinc/24/40/91/898244091.db2.gz LOCLSHOQZLAHGS-LEWJYISDSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000568959812 898244103 /nfs/dbraw/zinc/24/41/03/898244103.db2.gz LOCLSHOQZLAHGS-LEWJYISDSA-N 2 1 396.531 3.666 20 0 GHADMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000568959812 898244119 /nfs/dbraw/zinc/24/41/19/898244119.db2.gz LOCLSHOQZLAHGS-LEWJYISDSA-N 2 1 396.531 3.666 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CC/C=C/c1ccc(Br)cc1)CCO2 ZINC000646104205 914260562 /nfs/dbraw/zinc/26/05/62/914260562.db2.gz BGHWJBTYARXTBP-DUXPYHPUSA-N 2 1 379.342 3.649 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000569350216 898568231 /nfs/dbraw/zinc/56/82/31/898568231.db2.gz BMZQOPZTSHULGT-UHFFFAOYSA-N 2 1 375.738 3.645 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000112545906 898891958 /nfs/dbraw/zinc/89/19/58/898891958.db2.gz ZDQOYUYBUPAPQX-YJBOKZPZSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000112545906 898891970 /nfs/dbraw/zinc/89/19/70/898891970.db2.gz ZDQOYUYBUPAPQX-YJBOKZPZSA-N 2 1 387.474 3.513 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823399932 899010953 /nfs/dbraw/zinc/01/09/53/899010953.db2.gz SVZDYMCJKGAWEU-DENIHFKCSA-N 2 1 379.589 3.687 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728882 914318489 /nfs/dbraw/zinc/31/84/89/914318489.db2.gz PQXJJYRYCSQCIY-DEOSSOPVSA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728882 914318504 /nfs/dbraw/zinc/31/85/04/914318504.db2.gz PQXJJYRYCSQCIY-DEOSSOPVSA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728882 914318516 /nfs/dbraw/zinc/31/85/16/914318516.db2.gz PQXJJYRYCSQCIY-DEOSSOPVSA-N 2 1 387.531 3.580 20 0 GHADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(-c2cccnc2)n1 ZINC000289728882 914318527 /nfs/dbraw/zinc/31/85/27/914318527.db2.gz PQXJJYRYCSQCIY-DEOSSOPVSA-N 2 1 387.531 3.580 20 0 GHADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000331689414 899083768 /nfs/dbraw/zinc/08/37/68/899083768.db2.gz AZWVRXNFGVOQME-SJKOYZFVSA-N 2 1 398.320 3.802 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000331689414 899083783 /nfs/dbraw/zinc/08/37/83/899083783.db2.gz AZWVRXNFGVOQME-SJKOYZFVSA-N 2 1 398.320 3.802 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000570247149 899219762 /nfs/dbraw/zinc/21/97/62/899219762.db2.gz GEFQQLPXWMJWCW-XZOQPEGZSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000570247149 899219773 /nfs/dbraw/zinc/21/97/73/899219773.db2.gz GEFQQLPXWMJWCW-XZOQPEGZSA-N 2 1 397.607 3.725 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000570247149 899219780 /nfs/dbraw/zinc/21/97/80/899219780.db2.gz GEFQQLPXWMJWCW-XZOQPEGZSA-N 2 1 397.607 3.725 20 0 GHADMP C[NH2+]CCOc1ccccc1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000884193920 899307950 /nfs/dbraw/zinc/30/79/50/899307950.db2.gz TUPOGIQZHOIMIQ-UHFFFAOYSA-N 2 1 392.503 3.905 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000824058424 899365244 /nfs/dbraw/zinc/36/52/44/899365244.db2.gz MSSFDOVHYZFZFU-LEWJYISDSA-N 2 1 376.585 3.740 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccccc2)cc1OC ZINC000570570512 899399006 /nfs/dbraw/zinc/39/90/06/899399006.db2.gz SKNTUXYCIFAWOH-FQEVSTJZSA-N 2 1 396.531 3.558 20 0 GHADMP CSC1(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000573410901 900502843 /nfs/dbraw/zinc/50/28/43/900502843.db2.gz LYYZDVMCJGUFPU-SFHVURJKSA-N 2 1 378.973 3.580 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cncc(Br)c1 ZINC000573460714 900518420 /nfs/dbraw/zinc/51/84/20/900518420.db2.gz YGIBZTZQPURTNV-HNNXBMFYSA-N 2 1 390.325 3.527 20 0 GHADMP Cc1cc([C@H]([NH3+])CC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc(Cl)n1 ZINC000844176615 900565861 /nfs/dbraw/zinc/56/58/61/900565861.db2.gz VPXBNJRDSFGARH-LJQANCHMSA-N 2 1 388.943 3.590 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccccc3OCC(F)F)CC2)oc1C ZINC000885980076 900664813 /nfs/dbraw/zinc/66/48/13/900664813.db2.gz SSMHLFGZPFOPMQ-UHFFFAOYSA-N 2 1 393.478 3.937 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCCC4)[C@H]3C(C)C)CC2)CC1 ZINC000573933639 900704892 /nfs/dbraw/zinc/70/48/92/900704892.db2.gz IYROAFNURVYHHO-OAQYLSRUSA-N 2 1 375.601 3.610 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn2cc[nH+]c12 ZINC000574408896 900878940 /nfs/dbraw/zinc/87/89/40/900878940.db2.gz VQQIQEGMXBZJOW-HSZRJFAPSA-N 2 1 389.503 3.773 20 0 GHADMP Cc1cc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn2cc[nH+]c12 ZINC000574408896 900878944 /nfs/dbraw/zinc/87/89/44/900878944.db2.gz VQQIQEGMXBZJOW-HSZRJFAPSA-N 2 1 389.503 3.773 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000574684896 900971592 /nfs/dbraw/zinc/97/15/92/900971592.db2.gz STAHKDOAPXZRKO-HXUWFJFHSA-N 2 1 381.520 3.538 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886500535 901083670 /nfs/dbraw/zinc/08/36/70/901083670.db2.gz ZSDQPRQTGUNYTO-NNWRFLSQSA-N 2 1 393.531 3.527 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886503938 901091648 /nfs/dbraw/zinc/09/16/48/901091648.db2.gz LDPPTKNGAVNSLW-PMVMPFDFSA-N 2 1 377.532 3.579 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000886503759 901092070 /nfs/dbraw/zinc/09/20/70/901092070.db2.gz DDPPWCRGGOQMEI-PXNSSMCTSA-N 2 1 396.535 3.669 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000886503759 901092084 /nfs/dbraw/zinc/09/20/84/901092084.db2.gz DDPPWCRGGOQMEI-PXNSSMCTSA-N 2 1 396.535 3.669 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886638215 901202270 /nfs/dbraw/zinc/20/22/70/901202270.db2.gz OCBVAYOQYGVNEN-PJKILVJMSA-N 2 1 378.564 3.774 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)n1cccn1 ZINC000886642070 901202339 /nfs/dbraw/zinc/20/23/39/901202339.db2.gz ZJXBCWZSFDQAKP-RDGPPVDQSA-N 2 1 378.442 3.629 20 0 GHADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000886708942 901238213 /nfs/dbraw/zinc/23/82/13/901238213.db2.gz GZMJGYAZSFDFCS-UHFFFAOYSA-N 2 1 379.932 3.628 20 0 GHADMP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000826514330 901394765 /nfs/dbraw/zinc/39/47/65/901394765.db2.gz ODJQNMTZBCFZOF-UHFFFAOYSA-N 2 1 382.556 3.781 20 0 GHADMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000887133046 901451864 /nfs/dbraw/zinc/45/18/64/901451864.db2.gz SBIYTMNVUGKFRJ-HNNXBMFYSA-N 2 1 392.425 3.640 20 0 GHADMP CC[N@H+](Cc1cn(C)nc1-c1ccncc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818831 901569124 /nfs/dbraw/zinc/56/91/24/901569124.db2.gz PATJNBOJXRKNLZ-OAQYLSRUSA-N 2 1 389.547 3.826 20 0 GHADMP CC[NH+](Cc1cn(C)nc1-c1ccncc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818831 901569134 /nfs/dbraw/zinc/56/91/34/901569134.db2.gz PATJNBOJXRKNLZ-OAQYLSRUSA-N 2 1 389.547 3.826 20 0 GHADMP CC[NH+](Cc1cn(C)nc1-c1ccncc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818831 901569143 /nfs/dbraw/zinc/56/91/43/901569143.db2.gz PATJNBOJXRKNLZ-OAQYLSRUSA-N 2 1 389.547 3.826 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc(O)cc3C(F)(F)F)C2)C1 ZINC001144386949 901977009 /nfs/dbraw/zinc/97/70/09/901977009.db2.gz PYWUGGLEOLAJEE-YLJYHZDGSA-N 2 1 398.469 3.591 20 0 GHADMP CC[C@H](C)Oc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000576556163 902094874 /nfs/dbraw/zinc/09/48/74/902094874.db2.gz RKKSBCPBLXXDRG-AZUAARDMSA-N 2 1 390.572 3.744 20 0 GHADMP Clc1ccc(-n2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)nn2)cc1Cl ZINC000576703055 902203209 /nfs/dbraw/zinc/20/32/09/902203209.db2.gz KYYNWAYCQBHANS-GOSISDBHSA-N 2 1 380.323 3.538 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C[C@@H](C)O1 ZINC000576789436 902263459 /nfs/dbraw/zinc/26/34/59/902263459.db2.gz KKYLSUUSYGUFTB-IAGOWNOFSA-N 2 1 393.597 3.501 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000126900553 902388303 /nfs/dbraw/zinc/38/83/03/902388303.db2.gz VUYXKWZNTLNXMF-MSOLQXFVSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(-n2cncn2)cc1 ZINC000126900553 902388308 /nfs/dbraw/zinc/38/83/08/902388308.db2.gz VUYXKWZNTLNXMF-MSOLQXFVSA-N 2 1 381.549 3.892 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577107792 902507576 /nfs/dbraw/zinc/50/75/76/902507576.db2.gz SMPZHOVBIBPCBP-OZOXKJRCSA-N 2 1 389.902 3.678 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000846222329 902798275 /nfs/dbraw/zinc/79/82/75/902798275.db2.gz HIABBZSUKDRRDT-QZNHQXDQSA-N 2 1 393.531 3.510 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600717683 902840062 /nfs/dbraw/zinc/84/00/62/902840062.db2.gz SMDVAVINWAYGFR-MAODHWIISA-N 2 1 396.616 3.597 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000577596934 902933876 /nfs/dbraw/zinc/93/38/76/902933876.db2.gz ZWNZBTDTBQVSPS-ZVDOUQERSA-N 2 1 382.552 3.806 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000600850635 903002684 /nfs/dbraw/zinc/00/26/84/903002684.db2.gz JFOYMLZJJRVSDT-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000600850635 903002699 /nfs/dbraw/zinc/00/26/99/903002699.db2.gz JFOYMLZJJRVSDT-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000600850635 903002710 /nfs/dbraw/zinc/00/27/10/903002710.db2.gz JFOYMLZJJRVSDT-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP CN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000846869526 903251861 /nfs/dbraw/zinc/25/18/61/903251861.db2.gz WTPYQKROZUNLPK-HXUWFJFHSA-N 2 1 389.927 3.546 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000601067171 903291285 /nfs/dbraw/zinc/29/12/85/903291285.db2.gz OAGGFBAATJCUPV-NJNPRVFISA-N 2 1 380.536 3.665 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC[C@@H](n2ccnc2)C1 ZINC000601067171 903291292 /nfs/dbraw/zinc/29/12/92/903291292.db2.gz OAGGFBAATJCUPV-NJNPRVFISA-N 2 1 380.536 3.665 20 0 GHADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132800862 903309933 /nfs/dbraw/zinc/30/99/33/903309933.db2.gz GWHGNRJPBYCNFU-IBGZPJMESA-N 2 1 396.579 3.760 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000132799561 903310363 /nfs/dbraw/zinc/31/03/63/903310363.db2.gz JJURMSAATYFZGG-ZIAGYGMSSA-N 2 1 385.321 3.740 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000578006910 903439904 /nfs/dbraw/zinc/43/99/04/903439904.db2.gz XFJTZFRUICQOHW-VQTJNVASSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000578006910 903439908 /nfs/dbraw/zinc/43/99/08/903439908.db2.gz XFJTZFRUICQOHW-VQTJNVASSA-N 2 1 388.577 3.606 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000601236792 903493949 /nfs/dbraw/zinc/49/39/49/903493949.db2.gz JMMFCFFCKRXVQZ-KNQAVFIVSA-N 2 1 386.584 3.733 20 0 GHADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578623227 904012059 /nfs/dbraw/zinc/01/20/59/904012059.db2.gz RTKFHXCRLNOERS-BEFAXECRSA-N 2 1 398.378 3.982 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171370402 904371131 /nfs/dbraw/zinc/37/11/31/904371131.db2.gz JXWQCUCKZQDMMB-MSOLQXFVSA-N 2 1 378.507 3.834 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](Cc4ccnc5ccccc45)CC3)C2)cc1 ZINC000579175489 904395169 /nfs/dbraw/zinc/39/51/69/904395169.db2.gz VIKJXNHVQLCLPK-QHCPKHFHSA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4ccnc5ccccc45)CC3)C2)cc1 ZINC000579175489 904395184 /nfs/dbraw/zinc/39/51/84/904395184.db2.gz VIKJXNHVQLCLPK-QHCPKHFHSA-N 2 1 386.543 3.627 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC1 ZINC000779149283 904697532 /nfs/dbraw/zinc/69/75/32/904697532.db2.gz FEUHKINNAAMEQH-SFTDATJTSA-N 2 1 385.552 3.631 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716721285 904697943 /nfs/dbraw/zinc/69/79/43/904697943.db2.gz ZWUJMXWADYSULA-FYQPLNBISA-N 2 1 381.486 3.513 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171526354 904806565 /nfs/dbraw/zinc/80/65/65/904806565.db2.gz VQRAHCJIKKWGHK-ZOBUZTSGSA-N 2 1 382.470 3.712 20 0 GHADMP Cc1cccc2c1CC[C@H]([NH+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C1)C2 ZINC001171570772 904838124 /nfs/dbraw/zinc/83/81/24/904838124.db2.gz IJOUKRQYMVDEQA-FVEXOFTDSA-N 2 1 392.591 3.922 20 0 GHADMP Cc1cccc2c1CC[C@H]([N@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C1)C2 ZINC001171570772 904838148 /nfs/dbraw/zinc/83/81/48/904838148.db2.gz IJOUKRQYMVDEQA-FVEXOFTDSA-N 2 1 392.591 3.922 20 0 GHADMP Cc1cccc2c1CC[C@H]([N@@H+]1CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C1)C2 ZINC001171570772 904838165 /nfs/dbraw/zinc/83/81/65/904838165.db2.gz IJOUKRQYMVDEQA-FVEXOFTDSA-N 2 1 392.591 3.922 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(OCC3(C)COC3)c(F)c2)CC1(C)C ZINC001171630668 904851636 /nfs/dbraw/zinc/85/16/36/904851636.db2.gz RGSJYJOLZCBOKP-UHFFFAOYSA-N 2 1 378.532 3.982 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1(C)C ZINC001171640298 904930580 /nfs/dbraw/zinc/93/05/80/904930580.db2.gz BJUMGWNQMGQUBN-MRXNPFEDSA-N 2 1 375.532 3.671 20 0 GHADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccc(Br)cc2)C[N@H+]1Cc1ccccc1 ZINC001171731619 904959561 /nfs/dbraw/zinc/95/95/61/904959561.db2.gz CHJDBDYNDSCZBC-UIAACRFSSA-N 2 1 388.353 3.702 20 0 GHADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171760830 904995454 /nfs/dbraw/zinc/99/54/54/904995454.db2.gz AQSVTEDXLKNSNE-WDSOQIARSA-N 2 1 384.593 3.721 20 0 GHADMP CC(C)N1CCOC[C@@]2(CCC[N@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924036 905177991 /nfs/dbraw/zinc/17/79/91/905177991.db2.gz KAXNLIZMZJTPKL-XPJNUEMQSA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924036 905177993 /nfs/dbraw/zinc/17/79/93/905177993.db2.gz KAXNLIZMZJTPKL-XPJNUEMQSA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924036 905178001 /nfs/dbraw/zinc/17/80/01/905178001.db2.gz KAXNLIZMZJTPKL-XPJNUEMQSA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924036 905178008 /nfs/dbraw/zinc/17/80/08/905178008.db2.gz KAXNLIZMZJTPKL-XPJNUEMQSA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001171924036 905178014 /nfs/dbraw/zinc/17/80/14/905178014.db2.gz KAXNLIZMZJTPKL-XPJNUEMQSA-N 2 1 394.600 3.710 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171994260 905205198 /nfs/dbraw/zinc/20/51/98/905205198.db2.gz HOUNSBRTTYTTCS-OALUTQOASA-N 2 1 380.374 3.880 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171994422 905207156 /nfs/dbraw/zinc/20/71/56/905207156.db2.gz FFMWBZTUWNMQSW-UHFFFAOYSA-N 2 1 380.374 3.692 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171969105 905214823 /nfs/dbraw/zinc/21/48/23/905214823.db2.gz TUYXVONFZAVOIN-CGXNFDGLSA-N 2 1 399.579 3.885 20 0 GHADMP CN1c2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)ccc2OCC1=O ZINC001171980824 905232850 /nfs/dbraw/zinc/23/28/50/905232850.db2.gz XIEPNSNHMJCNLL-HXUWFJFHSA-N 2 1 393.531 3.575 20 0 GHADMP CN1c2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)ccc2OCC1=O ZINC001171980824 905232869 /nfs/dbraw/zinc/23/28/69/905232869.db2.gz XIEPNSNHMJCNLL-HXUWFJFHSA-N 2 1 393.531 3.575 20 0 GHADMP CCN1CC2(CC1=O)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987652 905251095 /nfs/dbraw/zinc/25/10/95/905251095.db2.gz ZDFDCLOOEKEYJM-OAQYLSRUSA-N 2 1 383.580 3.764 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172060902 905261439 /nfs/dbraw/zinc/26/14/39/905261439.db2.gz HYUYJILAHPWJSH-CEXWTWQISA-N 2 1 377.573 3.582 20 0 GHADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172060902 905261455 /nfs/dbraw/zinc/26/14/55/905261455.db2.gz HYUYJILAHPWJSH-CEXWTWQISA-N 2 1 377.573 3.582 20 0 GHADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)C4(CCCCC4)C3)C[C@@H]2C1 ZINC001172060902 905261470 /nfs/dbraw/zinc/26/14/70/905261470.db2.gz HYUYJILAHPWJSH-CEXWTWQISA-N 2 1 377.573 3.582 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCCCC1 ZINC001172072764 905278553 /nfs/dbraw/zinc/27/85/53/905278553.db2.gz MWZVIKSJLQUETK-NUNAXRQHSA-N 2 1 383.580 3.858 20 0 GHADMP O[C@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071929 905278927 /nfs/dbraw/zinc/27/89/27/905278927.db2.gz JMTDMKPJYTXTDF-MTQWNXOMSA-N 2 1 392.543 3.832 20 0 GHADMP [NH3+]C[C@H]1COc2ccccc2N1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075280 905285259 /nfs/dbraw/zinc/28/52/59/905285259.db2.gz DOHRGUJXTZKEST-LRSLUSHPSA-N 2 1 377.532 3.798 20 0 GHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172083715 905295316 /nfs/dbraw/zinc/29/53/16/905295316.db2.gz QWHKORSSNPEHTN-FHEJEKGWSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001172083715 905295330 /nfs/dbraw/zinc/29/53/30/905295330.db2.gz QWHKORSSNPEHTN-FHEJEKGWSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001172083715 905295342 /nfs/dbraw/zinc/29/53/42/905295342.db2.gz QWHKORSSNPEHTN-FHEJEKGWSA-N 2 1 382.548 3.846 20 0 GHADMP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172083715 905295356 /nfs/dbraw/zinc/29/53/56/905295356.db2.gz QWHKORSSNPEHTN-FHEJEKGWSA-N 2 1 382.548 3.846 20 0 GHADMP Cn1cnnc1C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172082415 905296071 /nfs/dbraw/zinc/29/60/71/905296071.db2.gz JNRKVWCNRHSFIA-ZBYYUNFXSA-N 2 1 379.552 3.580 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C3)cc1 ZINC001172087846 905303994 /nfs/dbraw/zinc/30/39/94/905303994.db2.gz MMOZSOWSHAUWFC-ACESQOTJSA-N 2 1 376.548 3.836 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172098148 905320242 /nfs/dbraw/zinc/32/02/42/905320242.db2.gz ANYZIXXXGSROFO-OKYOBFRVSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172098148 905320260 /nfs/dbraw/zinc/32/02/60/905320260.db2.gz ANYZIXXXGSROFO-OKYOBFRVSA-N 2 1 377.573 3.771 20 0 GHADMP COc1ccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172063292 905327381 /nfs/dbraw/zinc/32/73/81/905327381.db2.gz BRYJIXAJOWXEEF-KHUIQGCPSA-N 2 1 380.532 3.904 20 0 GHADMP COc1ccc([C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172063292 905327401 /nfs/dbraw/zinc/32/74/01/905327401.db2.gz BRYJIXAJOWXEEF-KHUIQGCPSA-N 2 1 380.532 3.904 20 0 GHADMP c1ncn(C2CCOCC2)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067992 905334767 /nfs/dbraw/zinc/33/47/67/905334767.db2.gz IOLFPRMMWUMEKC-MUSUJDOFSA-N 2 1 394.563 3.910 20 0 GHADMP c1ncn(C2CCOCC2)c1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067992 905334785 /nfs/dbraw/zinc/33/47/85/905334785.db2.gz IOLFPRMMWUMEKC-MUSUJDOFSA-N 2 1 394.563 3.910 20 0 GHADMP FC1(F)CCN(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172069110 905338321 /nfs/dbraw/zinc/33/83/21/905338321.db2.gz ZNIMZXXIDJWUST-WKCHPHFGSA-N 2 1 377.523 3.893 20 0 GHADMP Cc1c(CC[NH3+])c2c(cc(Cl)cc2Cl)n1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172129741 905342546 /nfs/dbraw/zinc/34/25/46/905342546.db2.gz ADPKNHNLAOBJLJ-GOOCMWNKSA-N 2 1 382.335 3.792 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172110497 905359944 /nfs/dbraw/zinc/35/99/44/905359944.db2.gz NMNGXNBKVQHTEU-YXOJAJARSA-N 2 1 389.971 3.986 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c3ccc(Cl)cc3)CC1)C2 ZINC001172110497 905359981 /nfs/dbraw/zinc/35/99/81/905359981.db2.gz NMNGXNBKVQHTEU-YXOJAJARSA-N 2 1 389.971 3.986 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC3(CN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172114647 905363684 /nfs/dbraw/zinc/36/36/84/905363684.db2.gz OYLZPVAKTSEYBC-LDLYASANSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCC3(CN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172114647 905363707 /nfs/dbraw/zinc/36/37/07/905363707.db2.gz OYLZPVAKTSEYBC-LDLYASANSA-N 2 1 377.573 3.771 20 0 GHADMP O=C1CC[C@H]2C[C@H]([N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)CCN12 ZINC001172182129 905397432 /nfs/dbraw/zinc/39/74/32/905397432.db2.gz JULHACHGCWODKW-YADHBBJMSA-N 2 1 381.564 3.518 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001172328659 905494001 /nfs/dbraw/zinc/49/40/01/905494001.db2.gz FXGVBMDMJKMGNY-VYFVWBTQSA-N 2 1 396.616 3.560 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001172615082 905671568 /nfs/dbraw/zinc/67/15/68/905671568.db2.gz FVBKUYVCOSFWHK-RDJZCZTQSA-N 2 1 387.911 3.742 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001172634338 905696207 /nfs/dbraw/zinc/69/62/07/905696207.db2.gz HCFSETVHBWIGTI-WOJBJXKFSA-N 2 1 397.604 3.645 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172999999 906074955 /nfs/dbraw/zinc/07/49/55/906074955.db2.gz WSMISDLPHCSUNC-GOSISDBHSA-N 2 1 383.511 3.527 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001173060529 906130408 /nfs/dbraw/zinc/13/04/08/906130408.db2.gz ABPFCFQEOYTHGC-MJGOQNOKSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173074298 906169153 /nfs/dbraw/zinc/16/91/53/906169153.db2.gz HCFQIUROKNUHAQ-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173074298 906169160 /nfs/dbraw/zinc/16/91/60/906169160.db2.gz HCFQIUROKNUHAQ-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@H]1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173074298 906169171 /nfs/dbraw/zinc/16/91/71/906169171.db2.gz HCFQIUROKNUHAQ-VXSCBNMQSA-N 2 1 399.579 3.838 20 0 GHADMP CC[NH+](CC)C1CCC(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001173109539 906194377 /nfs/dbraw/zinc/19/43/77/906194377.db2.gz CPKHJYQHDQHWBR-QORUQQEXSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001173109539 906194384 /nfs/dbraw/zinc/19/43/84/906194384.db2.gz CPKHJYQHDQHWBR-QORUQQEXSA-N 2 1 389.559 3.616 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001173109539 906194395 /nfs/dbraw/zinc/19/43/95/906194395.db2.gz CPKHJYQHDQHWBR-QORUQQEXSA-N 2 1 389.559 3.616 20 0 GHADMP CC[C@@H]1[N@H+](C2CCC([NH+](CC)CC)CC2)CCC[C@]12CCC(=O)N2CCOC ZINC001173109068 906194483 /nfs/dbraw/zinc/19/44/83/906194483.db2.gz FKDYPQCKDNDNLJ-JRJYRQGGSA-N 2 1 393.616 3.521 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CN(Cc4cccc(C)c4)C(=O)[C@H]3C2)CC1 ZINC001173109945 906197304 /nfs/dbraw/zinc/19/73/04/906197304.db2.gz FOUMNDHTTUEAJD-SBOSXTITSA-N 2 1 383.580 3.538 20 0 GHADMP CC[NH+](CC)C1CCC([N@@H+](CCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001173114108 906202855 /nfs/dbraw/zinc/20/28/55/906202855.db2.gz WIZHWWBPRJFCAK-MHJFOBGBSA-N 2 1 397.604 3.597 20 0 GHADMP COc1cccc2c1C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC[C@H]1C)CO2 ZINC001173159895 906246544 /nfs/dbraw/zinc/24/65/44/906246544.db2.gz ICMJFVGSMKHKPZ-HLAWJBBLSA-N 2 1 380.532 3.747 20 0 GHADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178187652 906306665 /nfs/dbraw/zinc/30/66/65/906306665.db2.gz RQBRADHTQHLNOG-SFHVURJKSA-N 2 1 384.568 3.786 20 0 GHADMP CCSC[C@@H](C)[NH+]1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001173303092 906360087 /nfs/dbraw/zinc/36/00/87/906360087.db2.gz WROCLGBWPMOZGW-UYAOXDASSA-N 2 1 377.598 3.526 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001173413626 906442406 /nfs/dbraw/zinc/44/24/06/906442406.db2.gz PKXFFLAVEIBYAR-HXUWFJFHSA-N 2 1 389.971 3.941 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001173413626 906442413 /nfs/dbraw/zinc/44/24/13/906442413.db2.gz PKXFFLAVEIBYAR-HXUWFJFHSA-N 2 1 389.971 3.941 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cc(Cl)ccc1F ZINC000365911290 921244661 /nfs/dbraw/zinc/24/46/61/921244661.db2.gz HDELXXGVTBOOLU-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173632659 906584304 /nfs/dbraw/zinc/58/43/04/906584304.db2.gz MZKKQPAPHVGMEY-ZIBCJSCZSA-N 2 1 388.552 3.889 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173704298 906653827 /nfs/dbraw/zinc/65/38/27/906653827.db2.gz VRDXMJUILGBRII-XMMPIXPASA-N 2 1 394.559 3.823 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734256 906675720 /nfs/dbraw/zinc/67/57/20/906675720.db2.gz HYQRYUDNYRCOFV-IGKWTDBASA-N 2 1 392.543 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734256 906675727 /nfs/dbraw/zinc/67/57/27/906675727.db2.gz HYQRYUDNYRCOFV-IGKWTDBASA-N 2 1 392.543 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001173734256 906675732 /nfs/dbraw/zinc/67/57/32/906675732.db2.gz HYQRYUDNYRCOFV-IGKWTDBASA-N 2 1 392.543 3.858 20 0 GHADMP CC(=O)Oc1ccc(C2CCC([NH+]3CCC4(CC(N(C)C)=[NH+]O4)CC3)CC2)cc1 ZINC001173791955 906715050 /nfs/dbraw/zinc/71/50/50/906715050.db2.gz XCVKJFYSVWTSNF-UHFFFAOYSA-N 2 1 399.535 3.768 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000629653686 906931623 /nfs/dbraw/zinc/93/16/23/906931623.db2.gz FOGWSLSICRLGTO-HOCLYGCPSA-N 2 1 392.425 3.792 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000629653686 906931630 /nfs/dbraw/zinc/93/16/30/906931630.db2.gz FOGWSLSICRLGTO-HOCLYGCPSA-N 2 1 392.425 3.792 20 0 GHADMP Cc1cc(-c2ccc(OCC[NH+]3CCN(C)CC3)cc2)ccc1[C@H]1CCC[NH2+]1 ZINC000629706435 906973432 /nfs/dbraw/zinc/97/34/32/906973432.db2.gz ZLTGPBVZNCEFDU-XMMPIXPASA-N 2 1 379.548 3.713 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC000182228248 907161693 /nfs/dbraw/zinc/16/16/93/907161693.db2.gz USSGLAWADWVPRQ-FXAWDEMLSA-N 2 1 384.520 3.511 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000779473964 907257989 /nfs/dbraw/zinc/25/79/89/907257989.db2.gz LOGWANGWQYWNOV-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183191473 907348232 /nfs/dbraw/zinc/34/82/32/907348232.db2.gz FPCINYAODZJUPJ-ZIFCJYIRSA-N 2 1 393.597 3.752 20 0 GHADMP C[NH+]1CCN(c2ccc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2F)CC1 ZINC001175506088 907594580 /nfs/dbraw/zinc/59/45/80/907594580.db2.gz NPNJRDUVTFCSOP-UHFFFAOYSA-N 2 1 380.511 3.779 20 0 GHADMP C[NH+]1CCN(c2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2F)CC1 ZINC001175506088 907594586 /nfs/dbraw/zinc/59/45/86/907594586.db2.gz NPNJRDUVTFCSOP-UHFFFAOYSA-N 2 1 380.511 3.779 20 0 GHADMP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678827 907812340 /nfs/dbraw/zinc/81/23/40/907812340.db2.gz UZPZYRDLTLWIFA-WJFTUGDTSA-N 2 1 387.568 3.504 20 0 GHADMP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678827 907812347 /nfs/dbraw/zinc/81/23/47/907812347.db2.gz UZPZYRDLTLWIFA-WJFTUGDTSA-N 2 1 387.568 3.504 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001175924218 907830978 /nfs/dbraw/zinc/83/09/78/907830978.db2.gz WGJGHGUIQBXWDW-QFIPXVFZSA-N 2 1 389.559 3.905 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001175924218 907830989 /nfs/dbraw/zinc/83/09/89/907830989.db2.gz WGJGHGUIQBXWDW-QFIPXVFZSA-N 2 1 389.559 3.905 20 0 GHADMP CC1(C)OCc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)ccc2O1 ZINC000187511804 908098808 /nfs/dbraw/zinc/09/88/08/908098808.db2.gz DSUPFDIMILSJNT-JOCHJYFZSA-N 2 1 396.531 3.578 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC001177295083 908499319 /nfs/dbraw/zinc/49/93/19/908499319.db2.gz XZASVBCZQRFDSF-UHFFFAOYSA-N 2 1 375.919 3.906 20 0 GHADMP COc1cc(Cl)c(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1OC ZINC001177529200 908621117 /nfs/dbraw/zinc/62/11/17/908621117.db2.gz NMFQACYZYUPEBA-UHFFFAOYSA-N 2 1 378.900 3.587 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(I)c(F)c2F)CC1 ZINC001206311393 908820053 /nfs/dbraw/zinc/82/00/53/908820053.db2.gz NKYKHVYLDBWHRT-OAHLLOKOSA-N 2 1 394.247 3.520 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(I)c(F)c2F)CC1 ZINC001206311393 908820061 /nfs/dbraw/zinc/82/00/61/908820061.db2.gz NKYKHVYLDBWHRT-OAHLLOKOSA-N 2 1 394.247 3.520 20 0 GHADMP O=C1OCCN1c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000193278626 908862134 /nfs/dbraw/zinc/86/21/34/908862134.db2.gz KKBAUEQPWUNNQU-BRTIRZTQSA-N 2 1 391.515 3.928 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H]3CCc4nccn4C3)cccc2[C@@H](c2ccccc2)C1 ZINC001178118220 908888886 /nfs/dbraw/zinc/88/88/86/908888886.db2.gz RKYDMPKYUYIDOS-AZUAARDMSA-N 2 1 386.499 3.662 20 0 GHADMP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000193999885 908908420 /nfs/dbraw/zinc/90/84/20/908908420.db2.gz VJBYBMOCALDFML-ZDUSSCGKSA-N 2 1 395.370 3.508 20 0 GHADMP CC1(C)CC2(CO1)CCC([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC001178291593 908990233 /nfs/dbraw/zinc/99/02/33/908990233.db2.gz ZPEBOMROYCZAPZ-MHIUNMELSA-N 2 1 386.580 3.861 20 0 GHADMP CCOc1c(OC)cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC001178458179 909060483 /nfs/dbraw/zinc/06/04/83/909060483.db2.gz TYPNXNGTOCCVEW-FUHWJXTLSA-N 2 1 376.541 3.845 20 0 GHADMP O=C(NCc1[nH+]cn2ccccc12)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001178593199 909115544 /nfs/dbraw/zinc/11/55/44/909115544.db2.gz MGXCAMNGCBJLDZ-UHFFFAOYSA-N 2 1 396.494 3.672 20 0 GHADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c(C)cc1I ZINC001178872931 909271339 /nfs/dbraw/zinc/27/13/39/909271339.db2.gz PCUKYYUNJDQKMQ-UHFFFAOYSA-N 2 1 386.321 3.872 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000637372845 909796373 /nfs/dbraw/zinc/79/63/73/909796373.db2.gz IWBJSSUPDUGORW-BEVDRBHNSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000637372845 909796383 /nfs/dbraw/zinc/79/63/83/909796383.db2.gz IWBJSSUPDUGORW-BEVDRBHNSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000637372845 909796388 /nfs/dbraw/zinc/79/63/88/909796388.db2.gz IWBJSSUPDUGORW-BEVDRBHNSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000637372845 909796392 /nfs/dbraw/zinc/79/63/92/909796392.db2.gz IWBJSSUPDUGORW-BEVDRBHNSA-N 2 1 396.526 3.517 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(COc2ccccc2)c1 ZINC001179926000 909808926 /nfs/dbraw/zinc/80/89/26/909808926.db2.gz VNFAASQAYTXCJK-YFNKSVMNSA-N 2 1 380.532 3.949 20 0 GHADMP CC(=O)N1CC[C@@H](C[N@H+](C)C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000638181596 910076813 /nfs/dbraw/zinc/07/68/13/910076813.db2.gz HWCXEBJHXVYVEA-LADGPHEKSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638181596 910076827 /nfs/dbraw/zinc/07/68/27/910076827.db2.gz HWCXEBJHXVYVEA-LADGPHEKSA-N 2 1 385.596 3.725 20 0 GHADMP CC(=O)N1CC[C@@H](C[NH+](C)C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000638181596 910076840 /nfs/dbraw/zinc/07/68/40/910076840.db2.gz HWCXEBJHXVYVEA-LADGPHEKSA-N 2 1 385.596 3.725 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638386187 910141041 /nfs/dbraw/zinc/14/10/41/910141041.db2.gz LMRQHRHNXAIFRJ-MOPGFXCFSA-N 2 1 391.357 3.769 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2snc(OC)c2Br)c1 ZINC000638562977 910192005 /nfs/dbraw/zinc/19/20/05/910192005.db2.gz HMAOVSSOTUVSAN-UHFFFAOYSA-N 2 1 384.343 3.656 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2snc(OC)c2Br)c1 ZINC000638562977 910192010 /nfs/dbraw/zinc/19/20/10/910192010.db2.gz HMAOVSSOTUVSAN-UHFFFAOYSA-N 2 1 384.343 3.656 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000269714750 910341040 /nfs/dbraw/zinc/34/10/40/910341040.db2.gz RPTJCNKXQSKIJR-RTBURBONSA-N 2 1 394.519 3.559 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000639185967 910344724 /nfs/dbraw/zinc/34/47/24/910344724.db2.gz GQZTXJCDTRQAJV-RZYYESBJSA-N 2 1 381.564 3.591 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000639185967 910344740 /nfs/dbraw/zinc/34/47/40/910344740.db2.gz GQZTXJCDTRQAJV-RZYYESBJSA-N 2 1 381.564 3.591 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)C1 ZINC001181471388 910782584 /nfs/dbraw/zinc/78/25/84/910782584.db2.gz FJPGHPMUGDRXBK-AHRSYUTCSA-N 2 1 394.401 3.904 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cc(Br)ncc1F ZINC000273868587 911072157 /nfs/dbraw/zinc/07/21/57/911072157.db2.gz NTXIEDSPWOQSKF-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774004524 911227389 /nfs/dbraw/zinc/22/73/89/911227389.db2.gz AGJDONDHBIJNQD-TZIWHRDSSA-N 2 1 395.950 3.997 20 0 GHADMP CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000774004524 911227400 /nfs/dbraw/zinc/22/74/00/911227400.db2.gz AGJDONDHBIJNQD-TZIWHRDSSA-N 2 1 395.950 3.997 20 0 GHADMP O=C(NCC12CC[NH+](CC1)CC2)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182244743 911327257 /nfs/dbraw/zinc/32/72/57/911327257.db2.gz PQMLHZIFNBUEBP-HXUWFJFHSA-N 2 1 389.971 3.859 20 0 GHADMP COc1ncc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000284110892 911755719 /nfs/dbraw/zinc/75/57/19/911755719.db2.gz CDJFXGBRESJYHJ-HNAYVOBHSA-N 2 1 389.927 3.551 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)[C@@H]1c1ccccc1 ZINC001182502115 911812400 /nfs/dbraw/zinc/81/24/00/911812400.db2.gz IYWOYJFKJROUID-VXKWHMMOSA-N 2 1 397.588 3.769 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000366707369 921700663 /nfs/dbraw/zinc/70/06/63/921700663.db2.gz HJLHZTVRWXWEDN-OSMLLJOWSA-N 3 1 399.623 3.787 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000366707369 921700675 /nfs/dbraw/zinc/70/06/75/921700675.db2.gz HJLHZTVRWXWEDN-OSMLLJOWSA-N 2 1 399.623 3.787 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000366707369 921700683 /nfs/dbraw/zinc/70/06/83/921700683.db2.gz HJLHZTVRWXWEDN-OSMLLJOWSA-N 2 1 399.623 3.787 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182855165 912080227 /nfs/dbraw/zinc/08/02/27/912080227.db2.gz NCNKHAWOSAHOJM-GGAORHGYSA-N 2 1 381.568 3.538 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@@H](Cn3ccnn3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001182855165 912080251 /nfs/dbraw/zinc/08/02/51/912080251.db2.gz NCNKHAWOSAHOJM-GGAORHGYSA-N 2 1 381.568 3.538 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@@H](Cn3ccnn3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182855165 912080266 /nfs/dbraw/zinc/08/02/66/912080266.db2.gz NCNKHAWOSAHOJM-GGAORHGYSA-N 2 1 381.568 3.538 20 0 GHADMP C[C@H](C[NH+](C)C)NC(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186950715 914915940 /nfs/dbraw/zinc/91/59/40/914915940.db2.gz MHNXMSAYPLCNGA-XQBPLPMBSA-N 2 1 379.548 3.553 20 0 GHADMP C[C@H]1CC2(CN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)CC[NH2+]CC2 ZINC000647096414 915028522 /nfs/dbraw/zinc/02/85/22/915028522.db2.gz VBPPIELENDJUBJ-NRFANRHFSA-N 2 1 391.559 3.679 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccnc(N4CCCC4)c3)CC23CC3)cc1 ZINC000647170813 915066385 /nfs/dbraw/zinc/06/63/85/915066385.db2.gz PKCHCJITNLKPGI-QFIPXVFZSA-N 2 1 376.548 3.969 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccnc(N4CCCC4)c3)CC23CC3)cc1 ZINC000647170813 915066403 /nfs/dbraw/zinc/06/64/03/915066403.db2.gz PKCHCJITNLKPGI-QFIPXVFZSA-N 2 1 376.548 3.969 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1Br ZINC000647248687 915105049 /nfs/dbraw/zinc/10/50/49/915105049.db2.gz RQYLZYXZGAZCSA-MSOLQXFVSA-N 2 1 389.337 3.893 20 0 GHADMP C[N@H+]1C[C@@H](CNC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249363 915107741 /nfs/dbraw/zinc/10/77/41/915107741.db2.gz VFSRNARVYVTNKY-RDGATRHJSA-N 2 1 395.566 3.768 20 0 GHADMP C[N@@H+]1C[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249363 915107756 /nfs/dbraw/zinc/10/77/56/915107756.db2.gz VFSRNARVYVTNKY-RDGATRHJSA-N 2 1 395.566 3.768 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000647249363 915107768 /nfs/dbraw/zinc/10/77/68/915107768.db2.gz VFSRNARVYVTNKY-RDGATRHJSA-N 2 1 395.566 3.768 20 0 GHADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344432 915167931 /nfs/dbraw/zinc/16/79/31/915167931.db2.gz QMAMBKYUIDDKEO-CDXJDZJCSA-N 2 1 385.939 3.992 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647471488 915285005 /nfs/dbraw/zinc/28/50/05/915285005.db2.gz CJWFIAMFEYPDMH-LJQANCHMSA-N 2 1 381.524 3.851 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543466 915318539 /nfs/dbraw/zinc/31/85/39/915318539.db2.gz ODVQBDJJQQKGOU-HOTGVXAUSA-N 2 1 391.357 3.617 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)CC12CCOCC2 ZINC000647545213 915319728 /nfs/dbraw/zinc/31/97/28/915319728.db2.gz SEXGZOQSLKCYKX-HXUWFJFHSA-N 2 1 384.495 3.592 20 0 GHADMP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543780 915320398 /nfs/dbraw/zinc/32/03/98/915320398.db2.gz RVAAHJYFPRUHDL-SJORKVTESA-N 2 1 385.533 3.750 20 0 GHADMP CC(C)CN(C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000647918183 915438993 /nfs/dbraw/zinc/43/89/93/915438993.db2.gz TWPVVIPHXAEKNV-IBGZPJMESA-N 2 1 377.598 3.585 20 0 GHADMP CC(C)CN(C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000647918183 915439002 /nfs/dbraw/zinc/43/90/02/915439002.db2.gz TWPVVIPHXAEKNV-IBGZPJMESA-N 2 1 377.598 3.585 20 0 GHADMP C[C@@H]1[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1C ZINC000648896156 915929225 /nfs/dbraw/zinc/92/92/25/915929225.db2.gz RWJPZKWIHZFOPI-RMGXSAEISA-N 2 1 389.971 3.710 20 0 GHADMP C[C@@H]1[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1C ZINC000648896156 915929233 /nfs/dbraw/zinc/92/92/33/915929233.db2.gz RWJPZKWIHZFOPI-RMGXSAEISA-N 2 1 389.971 3.710 20 0 GHADMP C[C@@H]1[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1C ZINC000648896156 915929243 /nfs/dbraw/zinc/92/92/43/915929243.db2.gz RWJPZKWIHZFOPI-RMGXSAEISA-N 2 1 389.971 3.710 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)c2)cs1 ZINC000649420896 916149424 /nfs/dbraw/zinc/14/94/24/916149424.db2.gz CUMKNTGTQDAAIP-HNNXBMFYSA-N 2 1 384.549 3.521 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000293622913 916296779 /nfs/dbraw/zinc/29/67/79/916296779.db2.gz HCBGNTXGVSQARW-OSFYOIPJSA-N 2 1 392.609 3.754 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3ccc4c(c3)CCCCC4)CC2)CC1 ZINC000650425397 916974387 /nfs/dbraw/zinc/97/43/87/916974387.db2.gz FFWCTBNZBLVYAA-UHFFFAOYSA-N 2 1 398.595 3.979 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1OCC(C)C ZINC000650705394 917242433 /nfs/dbraw/zinc/24/24/33/917242433.db2.gz GBUSUTTWPRODOX-TUNNFDKTSA-N 2 1 390.568 3.838 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707033 917243521 /nfs/dbraw/zinc/24/35/21/917243521.db2.gz XGUTVPQQGCQMCP-WMTXJRDZSA-N 2 1 396.579 3.575 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OC ZINC000650706759 917243879 /nfs/dbraw/zinc/24/38/79/917243879.db2.gz RVBCXTDUYAMYCL-MCNSAMFCSA-N 2 1 376.541 3.591 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2Br)C1 ZINC000650724108 917249806 /nfs/dbraw/zinc/24/98/06/917249806.db2.gz YIEJADYNHYZBQE-OIISXLGYSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2Br)C1 ZINC000650724108 917249820 /nfs/dbraw/zinc/24/98/20/917249820.db2.gz YIEJADYNHYZBQE-OIISXLGYSA-N 2 1 387.749 3.963 20 0 GHADMP CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCc2ccccc2C1 ZINC001190510308 917374413 /nfs/dbraw/zinc/37/44/13/917374413.db2.gz LTNSUNZSZUOXCO-RPWUZVMVSA-N 2 1 393.575 3.675 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000295614953 917381749 /nfs/dbraw/zinc/38/17/49/917381749.db2.gz GOSJGMUENMFVNK-FZKQIMNGSA-N 2 1 397.332 3.666 20 0 GHADMP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)cc1I ZINC001191175252 917831086 /nfs/dbraw/zinc/83/10/86/917831086.db2.gz RLXPQSDWNLPXNY-HNNXBMFYSA-N 2 1 386.321 3.682 20 0 GHADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(C)cc1I ZINC001191175252 917831092 /nfs/dbraw/zinc/83/10/92/917831092.db2.gz RLXPQSDWNLPXNY-HNNXBMFYSA-N 2 1 386.321 3.682 20 0 GHADMP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(C)cc1I ZINC001191175252 917831099 /nfs/dbraw/zinc/83/10/99/917831099.db2.gz RLXPQSDWNLPXNY-HNNXBMFYSA-N 2 1 386.321 3.682 20 0 GHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)n2)cc1 ZINC000652362113 917880589 /nfs/dbraw/zinc/88/05/89/917880589.db2.gz YDKXGVYOAZJGJY-VAMGGRTRSA-N 2 1 384.524 3.721 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cs2)c1 ZINC000652363086 917882865 /nfs/dbraw/zinc/88/28/65/917882865.db2.gz XPCQWFMTGGLQMX-AHRSYUTCSA-N 2 1 387.549 3.680 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653149122 918142535 /nfs/dbraw/zinc/14/25/35/918142535.db2.gz XNNYBZAZBACENV-KRWDZBQOSA-N 2 1 397.485 3.518 20 0 GHADMP C[N@@H+](CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000381891576 919712786 /nfs/dbraw/zinc/71/27/86/919712786.db2.gz RFUYYZVRGSBYMN-FQEVSTJZSA-N 2 1 375.557 3.888 20 0 GHADMP CC[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000800347181 919940679 /nfs/dbraw/zinc/94/06/79/919940679.db2.gz VTPFAUDIFUADCR-HXUWFJFHSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+](CC1CN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000800347181 919940692 /nfs/dbraw/zinc/94/06/92/919940692.db2.gz VTPFAUDIFUADCR-HXUWFJFHSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+](CC1CN(C(=O)OC(C)(C)C)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000800347181 919940707 /nfs/dbraw/zinc/94/07/07/919940707.db2.gz VTPFAUDIFUADCR-HXUWFJFHSA-N 2 1 387.568 3.697 20 0 GHADMP CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000364793178 920013860 /nfs/dbraw/zinc/01/38/60/920013860.db2.gz PHHJIGWHMUGYNE-FQEVSTJZSA-N 2 1 381.524 3.757 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000364793178 920013874 /nfs/dbraw/zinc/01/38/74/920013874.db2.gz PHHJIGWHMUGYNE-FQEVSTJZSA-N 2 1 381.524 3.757 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000364793178 920013885 /nfs/dbraw/zinc/01/38/85/920013885.db2.gz PHHJIGWHMUGYNE-FQEVSTJZSA-N 2 1 381.524 3.757 20 0 GHADMP CCO[C@@H]1C[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@H]1SC ZINC000298261698 920352085 /nfs/dbraw/zinc/35/20/85/920352085.db2.gz FRRDKVSIJDAKQP-NJDAHSKKSA-N 2 1 377.598 3.786 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000365382839 920726676 /nfs/dbraw/zinc/72/66/76/920726676.db2.gz DKBFPPKHTVXFTN-UHFFFAOYSA-N 2 1 394.510 3.625 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2ccccc21 ZINC000367570783 922208308 /nfs/dbraw/zinc/20/83/08/922208308.db2.gz RZXXZSYUEROSEM-QHCPKHFHSA-N 2 1 395.522 3.920 20 0 GHADMP CCCc1occc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000369203692 923202827 /nfs/dbraw/zinc/20/28/27/923202827.db2.gz LUEWFFSJPNUXPH-UHFFFAOYSA-N 2 1 375.557 3.500 20 0 GHADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903755543 923258674 /nfs/dbraw/zinc/25/86/74/923258674.db2.gz IVUUDMUKVBLDKF-ZIAGYGMSSA-N 2 1 389.487 3.500 20 0 GHADMP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908371 923389416 /nfs/dbraw/zinc/38/94/16/923389416.db2.gz HQZDPVHPKLYIFY-PBHICJAKSA-N 2 1 381.446 3.805 20 0 GHADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000903908371 923389431 /nfs/dbraw/zinc/38/94/31/923389431.db2.gz HQZDPVHPKLYIFY-PBHICJAKSA-N 2 1 381.446 3.805 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000676883284 924128377 /nfs/dbraw/zinc/12/83/77/924128377.db2.gz JAVAXFNBOGDYJP-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000370709939 924269824 /nfs/dbraw/zinc/26/98/24/924269824.db2.gz LABPMOKQPGUGNA-RDPSFJRHSA-N 2 1 393.575 3.820 20 0 GHADMP COc1cc2c(cc1OC)C[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000678121456 924616473 /nfs/dbraw/zinc/61/64/73/924616473.db2.gz MBVUYHOTIJAPMU-UHFFFAOYSA-N 2 1 396.531 3.737 20 0 GHADMP COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000678121456 924616483 /nfs/dbraw/zinc/61/64/83/924616483.db2.gz MBVUYHOTIJAPMU-UHFFFAOYSA-N 2 1 396.531 3.737 20 0 GHADMP COc1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1OC ZINC000678123562 924618124 /nfs/dbraw/zinc/61/81/24/924618124.db2.gz XCOREQNLTUQBNO-UHFFFAOYSA-N 2 1 384.520 3.810 20 0 GHADMP Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000371858999 924916955 /nfs/dbraw/zinc/91/69/55/924916955.db2.gz QIMHWWNLEZFLNX-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137400869 925387909 /nfs/dbraw/zinc/38/79/09/925387909.db2.gz JJHZMOPSMNBEQD-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680268565 925415433 /nfs/dbraw/zinc/41/54/33/925415433.db2.gz HVZPIYZYBFTCGH-HMXCVIKNSA-N 2 1 397.588 3.840 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000680378677 925460885 /nfs/dbraw/zinc/46/08/85/925460885.db2.gz FJZGENIXYKINRL-HDICACEKSA-N 2 1 388.577 3.992 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000680378677 925460891 /nfs/dbraw/zinc/46/08/91/925460891.db2.gz FJZGENIXYKINRL-HDICACEKSA-N 2 1 388.577 3.992 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000680404877 925469642 /nfs/dbraw/zinc/46/96/42/925469642.db2.gz NOPDPJWNNQAHNJ-LVCYWYKZSA-N 2 1 391.515 3.863 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2ccccc2o1 ZINC000680404877 925469651 /nfs/dbraw/zinc/46/96/51/925469651.db2.gz NOPDPJWNNQAHNJ-LVCYWYKZSA-N 2 1 391.515 3.863 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000410337494 925553098 /nfs/dbraw/zinc/55/30/98/925553098.db2.gz OHRQEWWGKQIWKW-LJQANCHMSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000410391067 925608871 /nfs/dbraw/zinc/60/88/71/925608871.db2.gz GXXZNQUYVZXFQQ-OFNKIYASSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@H](CC[N@H+]1CC[C@@H](Cc2ccncc2)C1)[NH+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890624 925645254 /nfs/dbraw/zinc/64/52/54/925645254.db2.gz JSKFQTMHDALBPC-FGCOXFRFSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](Cc2ccncc2)C1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890624 925645259 /nfs/dbraw/zinc/64/52/59/925645259.db2.gz JSKFQTMHDALBPC-FGCOXFRFSA-N 2 1 378.564 3.684 20 0 GHADMP C[C@H](CC[NH+]1CC[C@@H](Cc2ccncc2)C1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680890624 925645261 /nfs/dbraw/zinc/64/52/61/925645261.db2.gz JSKFQTMHDALBPC-FGCOXFRFSA-N 2 1 378.564 3.684 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000411153542 926141313 /nfs/dbraw/zinc/14/13/13/926141313.db2.gz JLFGEPNLDHKALW-JOCHJYFZSA-N 2 1 395.547 3.714 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000682654940 926198219 /nfs/dbraw/zinc/19/82/19/926198219.db2.gz VQPDUDSLYXQRAT-YADHBBJMSA-N 2 1 396.535 3.584 20 0 GHADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411311741 926297287 /nfs/dbraw/zinc/29/72/87/926297287.db2.gz RVAPUMUCMIEFEF-PKTZIBPZSA-N 2 1 391.559 3.841 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411311741 926297294 /nfs/dbraw/zinc/29/72/94/926297294.db2.gz RVAPUMUCMIEFEF-PKTZIBPZSA-N 2 1 391.559 3.841 20 0 GHADMP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000827950878 926374467 /nfs/dbraw/zinc/37/44/67/926374467.db2.gz UNEQMEPEHVQALR-RLLQIKCJSA-N 2 1 379.589 3.734 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000389737719 926387048 /nfs/dbraw/zinc/38/70/48/926387048.db2.gz BKROTHCTYYXENF-GHTZIAJQSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373865289 926505798 /nfs/dbraw/zinc/50/57/98/926505798.db2.gz HSSTVNLBSPRABB-IZBOUPIGSA-N 2 1 383.580 3.668 20 0 GHADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCN(c2cnccn2)CC1 ZINC000411679472 926639406 /nfs/dbraw/zinc/63/94/06/926639406.db2.gz SZSLUPYUGXNDHI-UHFFFAOYSA-N 2 1 379.552 3.563 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000411797538 926774411 /nfs/dbraw/zinc/77/44/11/926774411.db2.gz LBFFPAPYBAKHNV-LWEXMRFPSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000411797538 926774415 /nfs/dbraw/zinc/77/44/15/926774415.db2.gz LBFFPAPYBAKHNV-LWEXMRFPSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000411797538 926774421 /nfs/dbraw/zinc/77/44/21/926774421.db2.gz LBFFPAPYBAKHNV-LWEXMRFPSA-N 2 1 392.628 3.654 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000749573522 927195895 /nfs/dbraw/zinc/19/58/95/927195895.db2.gz UZTCXAWJONAFNZ-FQEVSTJZSA-N 2 1 386.584 3.669 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000412196839 927197467 /nfs/dbraw/zinc/19/74/67/927197467.db2.gz CHDJJXWLIJZKJM-GGAORHGYSA-N 2 1 381.564 3.761 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751075321 928015952 /nfs/dbraw/zinc/01/59/52/928015952.db2.gz AFMAQGDWEFNXGD-FDRBHKFBSA-N 2 1 392.632 3.841 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Br ZINC000751562950 928251774 /nfs/dbraw/zinc/25/17/74/928251774.db2.gz DYVLNTXZRVWGGW-HXUWFJFHSA-N 2 1 389.337 3.737 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000467161553 928773023 /nfs/dbraw/zinc/77/30/23/928773023.db2.gz ONDRDGZRVIKTIU-KRWDZBQOSA-N 2 1 395.975 3.798 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000467348111 928984308 /nfs/dbraw/zinc/98/43/08/928984308.db2.gz VWBHNMACSFGISL-WTIAFYNJSA-N 2 1 379.548 3.773 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000467375562 929012753 /nfs/dbraw/zinc/01/27/53/929012753.db2.gz FHXXKMIBNCUSJO-GPXNEJASSA-N 2 1 379.548 3.643 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000467375562 929012762 /nfs/dbraw/zinc/01/27/62/929012762.db2.gz FHXXKMIBNCUSJO-GPXNEJASSA-N 2 1 379.548 3.643 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000544348532 929081481 /nfs/dbraw/zinc/08/14/81/929081481.db2.gz NHJKAEUNIAQPNU-RBUKOAKNSA-N 2 1 375.520 3.671 20 0 GHADMP CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000467717944 929333982 /nfs/dbraw/zinc/33/39/82/929333982.db2.gz JCNIRNOZBSMFCC-YVWKXTFCSA-N 2 1 397.485 3.737 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000753536156 929395726 /nfs/dbraw/zinc/39/57/26/929395726.db2.gz PBIPQSYUFGSOCB-GOSISDBHSA-N 2 1 399.539 3.655 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000753543784 929402929 /nfs/dbraw/zinc/40/29/29/929402929.db2.gz FDURDMOEMJPJET-YLJYHZDGSA-N 2 1 399.539 3.701 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)oc1C ZINC000545920319 929677288 /nfs/dbraw/zinc/67/72/88/929677288.db2.gz JPIQVCVVHZCCPJ-PCCBWWKXSA-N 2 1 375.557 3.688 20 0 GHADMP Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c(C[NH+](C)C)c1 ZINC000469427920 929878551 /nfs/dbraw/zinc/87/85/51/929878551.db2.gz JPGWJMKPMBFHEI-UHFFFAOYSA-N 2 1 385.418 3.827 20 0 GHADMP C[NH+](C)CCC1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000469485842 929931014 /nfs/dbraw/zinc/93/10/14/929931014.db2.gz LNMMUBAIQFSVCZ-UHFFFAOYSA-N 2 1 393.575 3.879 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000469759486 930142840 /nfs/dbraw/zinc/14/28/40/930142840.db2.gz ZPGUSIJWAASOHO-HROJSSOGSA-N 2 1 380.532 3.747 20 0 GHADMP CC1=CC[NH+](CCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000546570905 930271319 /nfs/dbraw/zinc/27/13/19/930271319.db2.gz GCHRHALQHTVKFJ-UHFFFAOYSA-N 2 1 377.532 3.700 20 0 GHADMP CC1=CC[N@H+](CCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC1 ZINC000546570905 930271323 /nfs/dbraw/zinc/27/13/23/930271323.db2.gz GCHRHALQHTVKFJ-UHFFFAOYSA-N 2 1 377.532 3.700 20 0 GHADMP CC1=CC[N@@H+](CCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC1 ZINC000546570905 930271328 /nfs/dbraw/zinc/27/13/28/930271328.db2.gz GCHRHALQHTVKFJ-UHFFFAOYSA-N 2 1 377.532 3.700 20 0 GHADMP Cc1cc(Br)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c1OC(F)F ZINC000470007910 930311342 /nfs/dbraw/zinc/31/13/42/930311342.db2.gz HENXUXWFYAPUKT-NSHDSACASA-N 2 1 377.273 3.918 20 0 GHADMP CCOC(=O)[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000470157622 930416486 /nfs/dbraw/zinc/41/64/86/930416486.db2.gz ZUGVKHBKVKVEDZ-DEOSSOPVSA-N 2 1 380.532 3.762 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000780877976 930624896 /nfs/dbraw/zinc/62/48/96/930624896.db2.gz LLMRGVYLLHHCBC-NQIIRXRSSA-N 2 1 381.520 3.908 20 0 GHADMP C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780880552 930625082 /nfs/dbraw/zinc/62/50/82/930625082.db2.gz XYHLNAAZHRFFTN-AZUAARDMSA-N 2 1 387.568 3.886 20 0 GHADMP CCCN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470478644 930648795 /nfs/dbraw/zinc/64/87/95/930648795.db2.gz WGFQRWJXUDURQR-HSZRJFAPSA-N 2 1 377.532 3.807 20 0 GHADMP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)[C@H](C)CN1C ZINC000781903783 931021520 /nfs/dbraw/zinc/02/15/20/931021520.db2.gz XBTKHHAHEPPEGW-MESAYYPLSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2C[C@H](C)N(C)C[C@@H]2C)[C@H](C)CN1C ZINC000781903783 931021529 /nfs/dbraw/zinc/02/15/29/931021529.db2.gz XBTKHHAHEPPEGW-MESAYYPLSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[N@H+](CCCCCCCCC[NH+]2C[C@H](C)N(C)C[C@@H]2C)[C@H](C)CN1C ZINC000781903783 931021534 /nfs/dbraw/zinc/02/15/34/931021534.db2.gz XBTKHHAHEPPEGW-MESAYYPLSA-N 2 1 380.665 3.766 20 0 GHADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000693672558 931200052 /nfs/dbraw/zinc/20/00/52/931200052.db2.gz QQIKTZOIJDXPOF-FHWLQOOXSA-N 2 1 382.470 3.988 20 0 GHADMP Cc1ncc2c(n1)CC[C@@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000924633283 931457117 /nfs/dbraw/zinc/45/71/17/931457117.db2.gz IBBXXNIEYCXHBQ-GTCWDNOESA-N 2 1 376.548 3.818 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000557596579 931564579 /nfs/dbraw/zinc/56/45/79/931564579.db2.gz SVKIRCPIJKNLEU-HXUWFJFHSA-N 2 1 389.609 3.780 20 0 GHADMP OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925617320 931840097 /nfs/dbraw/zinc/84/00/97/931840097.db2.gz PUPOSPGYLJQDAR-UJYXNCKDSA-N 2 1 394.559 3.646 20 0 GHADMP OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925617317 931840645 /nfs/dbraw/zinc/84/06/45/931840645.db2.gz PUPOSPGYLJQDAR-MYQSWLHYSA-N 2 1 394.559 3.646 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796741379 932049191 /nfs/dbraw/zinc/04/91/91/932049191.db2.gz COVUZACYEWZWMW-IRXDYDNUSA-N 2 1 376.545 3.622 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cnccc2NC(=O)OC(C)(C)C)C1 ZINC000796741379 932049196 /nfs/dbraw/zinc/04/91/96/932049196.db2.gz COVUZACYEWZWMW-IRXDYDNUSA-N 2 1 376.545 3.622 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124073 932055998 /nfs/dbraw/zinc/05/59/98/932055998.db2.gz FVMGIFCRJRVRQL-FDDCHVKYSA-N 2 1 382.548 3.722 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)no1 ZINC000926124672 932056972 /nfs/dbraw/zinc/05/69/72/932056972.db2.gz IRJAVMXVBUSJES-LAUBAEHRSA-N 2 1 377.488 3.759 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)no1 ZINC000926124672 932056976 /nfs/dbraw/zinc/05/69/76/932056976.db2.gz IRJAVMXVBUSJES-LAUBAEHRSA-N 2 1 377.488 3.759 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000796779882 932064568 /nfs/dbraw/zinc/06/45/68/932064568.db2.gz OPKUEMAJEVDGMS-LJQANCHMSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCCc4n[nH]cc43)cc2)C[C@H]1C ZINC000796857116 932090065 /nfs/dbraw/zinc/09/00/65/932090065.db2.gz ZURPPVHYKIUEBX-SVMVAKDDSA-N 2 1 382.552 3.586 20 0 GHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@H]3CCCc4[nH]ncc43)cc2)C[C@H]1C ZINC000796857116 932090070 /nfs/dbraw/zinc/09/00/70/932090070.db2.gz ZURPPVHYKIUEBX-SVMVAKDDSA-N 2 1 382.552 3.586 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCCc4[nH]ncc43)cc2)C[C@H]1C ZINC000796857116 932090077 /nfs/dbraw/zinc/09/00/77/932090077.db2.gz ZURPPVHYKIUEBX-SVMVAKDDSA-N 2 1 382.552 3.586 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000796887993 932098012 /nfs/dbraw/zinc/09/80/12/932098012.db2.gz JUUNXSSLVUYENA-QAETUUGQSA-N 2 1 376.850 3.552 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCC34CCOCC4)cc2)C[C@H]1C ZINC000558622762 932117071 /nfs/dbraw/zinc/11/70/71/932117071.db2.gz KXESCRIZRNIZCY-MZKRTTBSSA-N 2 1 386.580 3.745 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000796976826 932133533 /nfs/dbraw/zinc/13/35/33/932133533.db2.gz FPCKUFLOTGDZMU-WMZHIEFXSA-N 2 1 375.520 3.830 20 0 GHADMP CC[N@@H+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000558871919 932284079 /nfs/dbraw/zinc/28/40/79/932284079.db2.gz ZFDAWMFNHBYRDF-QZNYNHHHSA-N 2 1 392.975 3.505 20 0 GHADMP CC[NH+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000558871919 932284084 /nfs/dbraw/zinc/28/40/84/932284084.db2.gz ZFDAWMFNHBYRDF-QZNYNHHHSA-N 2 1 392.975 3.505 20 0 GHADMP CC[NH+](C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558871919 932284090 /nfs/dbraw/zinc/28/40/90/932284090.db2.gz ZFDAWMFNHBYRDF-QZNYNHHHSA-N 2 1 392.975 3.505 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC[N@@H+]1C ZINC000927127062 932425396 /nfs/dbraw/zinc/42/53/96/932425396.db2.gz QIITXFPKGIETFG-JWRIFHQMSA-N 2 1 387.568 3.684 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](CNC(=O)OC(C)(C)C)(c3ccccc3)C2)CC[N@H+]1C ZINC000927127062 932425400 /nfs/dbraw/zinc/42/54/00/932425400.db2.gz QIITXFPKGIETFG-JWRIFHQMSA-N 2 1 387.568 3.684 20 0 GHADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798498677 932673953 /nfs/dbraw/zinc/67/39/53/932673953.db2.gz XKTTWMUPTXCXCX-DEOSSOPVSA-N 2 1 385.596 3.915 20 0 GHADMP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934457 932821485 /nfs/dbraw/zinc/82/14/85/932821485.db2.gz GHEMBUFVCUGUDO-NTKDMRAZSA-N 2 1 395.547 3.914 20 0 GHADMP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798935680 932823254 /nfs/dbraw/zinc/82/32/54/932823254.db2.gz RNVZCMIPWYQJAF-PXDATVDWSA-N 2 1 393.575 3.626 20 0 GHADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798957113 932839725 /nfs/dbraw/zinc/83/97/25/932839725.db2.gz UYRSQUITPOXGFG-UHFFFAOYSA-N 2 1 380.458 3.900 20 0 GHADMP COc1cccc([C@H](C)[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000559773867 932846007 /nfs/dbraw/zinc/84/60/07/932846007.db2.gz KFLAVOBLHCYRLN-NZQKXSOJSA-N 2 1 379.548 3.648 20 0 GHADMP COc1cccc([C@H](C)[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000559773867 932846015 /nfs/dbraw/zinc/84/60/15/932846015.db2.gz KFLAVOBLHCYRLN-NZQKXSOJSA-N 2 1 379.548 3.648 20 0 GHADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559894754 932926968 /nfs/dbraw/zinc/92/69/68/932926968.db2.gz VLYRABWXGCOPOF-IFMALSPDSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1ccnc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559894754 932926972 /nfs/dbraw/zinc/92/69/72/932926972.db2.gz VLYRABWXGCOPOF-IFMALSPDSA-N 2 1 379.548 3.969 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1OC ZINC000560521450 933308066 /nfs/dbraw/zinc/30/80/66/933308066.db2.gz QMRIELDBVQODTA-SFHVURJKSA-N 2 1 384.520 3.695 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324748 /nfs/dbraw/zinc/32/47/48/933324748.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324757 /nfs/dbraw/zinc/32/47/57/933324757.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324768 /nfs/dbraw/zinc/32/47/68/933324768.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324780 /nfs/dbraw/zinc/32/47/80/933324780.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324790 /nfs/dbraw/zinc/32/47/90/933324790.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324799 /nfs/dbraw/zinc/32/47/99/933324799.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324810 /nfs/dbraw/zinc/32/48/10/933324810.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 3 1 399.623 3.768 20 0 GHADMP CNC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000560543578 933331017 /nfs/dbraw/zinc/33/10/17/933331017.db2.gz ULXWHLGKROSHST-UHFFFAOYSA-N 2 1 377.532 3.534 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001116113838 933341239 /nfs/dbraw/zinc/34/12/39/933341239.db2.gz VGKIAKHKUONKAG-PSWRPDDJSA-N 2 1 386.584 3.554 20 0 GHADMP CCOC(=O)[C@H](c1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560822966 933589358 /nfs/dbraw/zinc/58/93/58/933589358.db2.gz KGSJZVFHLJYLAJ-QFIPXVFZSA-N 2 1 381.520 3.924 20 0 GHADMP CCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560822966 933589368 /nfs/dbraw/zinc/58/93/68/933589368.db2.gz KGSJZVFHLJYLAJ-QFIPXVFZSA-N 2 1 381.520 3.924 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561316707 934047111 /nfs/dbraw/zinc/04/71/11/934047111.db2.gz WYQBTWMEDULQGT-NKKJXINNSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561316707 934047126 /nfs/dbraw/zinc/04/71/26/934047126.db2.gz WYQBTWMEDULQGT-NKKJXINNSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561316707 934047133 /nfs/dbraw/zinc/04/71/33/934047133.db2.gz WYQBTWMEDULQGT-NKKJXINNSA-N 2 1 391.559 3.535 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1 ZINC001118506863 934183625 /nfs/dbraw/zinc/18/36/25/934183625.db2.gz RAXJZFDNYFOCGT-HXUWFJFHSA-N 2 1 389.503 3.722 20 0 GHADMP Oc1ccc(C2CCC([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000561526495 934242084 /nfs/dbraw/zinc/24/20/84/934242084.db2.gz RUMLJMBAHBWBSF-JVPYDEADSA-N 2 1 380.532 3.645 20 0 GHADMP Oc1ccc(C2CCC([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000561526495 934242085 /nfs/dbraw/zinc/24/20/85/934242085.db2.gz RUMLJMBAHBWBSF-JVPYDEADSA-N 2 1 380.532 3.645 20 0 GHADMP Cc1ccc([C@@H](OC[C@@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC001120520222 934469397 /nfs/dbraw/zinc/46/93/97/934469397.db2.gz SYJJMZDXTJRPSS-NDBXHCKUSA-N 2 1 394.559 3.678 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001137992162 935912946 /nfs/dbraw/zinc/91/29/46/935912946.db2.gz KSULVMYZAHEAPF-GOSISDBHSA-N 2 1 388.483 3.683 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)C ZINC001154465841 1032122444 /nfs/dbraw/zinc/12/24/44/1032122444.db2.gz NKKPQWABCCJGDP-PWHSHALESA-N 2 1 379.548 3.549 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)C ZINC001154465841 1032122456 /nfs/dbraw/zinc/12/24/56/1032122456.db2.gz NKKPQWABCCJGDP-PWHSHALESA-N 2 1 379.548 3.549 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC000468699790 1015925214 /nfs/dbraw/zinc/92/52/14/1015925214.db2.gz YBQGDOMDGQKLIL-JOCHJYFZSA-N 2 1 383.536 3.905 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000468959308 1016273199 /nfs/dbraw/zinc/27/31/99/1016273199.db2.gz MLSMXIVUHBYFCV-KSSFIOAISA-N 2 1 385.474 3.687 20 0 GHADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(C)(C)C[NH+](C)C ZINC001220880441 1032170089 /nfs/dbraw/zinc/17/00/89/1032170089.db2.gz QZUSMXWAIWGMCA-MOPGFXCFSA-N 2 1 388.600 3.694 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCC[NH+]4CCCC[C@H]34)cc2)C1 ZINC001220880851 1032171190 /nfs/dbraw/zinc/17/11/90/1032171190.db2.gz XZVWDRSACKPMOU-WTIAFYNJSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)C1 ZINC001220880851 1032171198 /nfs/dbraw/zinc/17/11/98/1032171198.db2.gz XZVWDRSACKPMOU-WTIAFYNJSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2)C1 ZINC001220880851 1032171213 /nfs/dbraw/zinc/17/12/13/1032171213.db2.gz XZVWDRSACKPMOU-WTIAFYNJSA-N 2 1 398.595 3.735 20 0 GHADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC001220883226 1032172406 /nfs/dbraw/zinc/17/24/06/1032172406.db2.gz KLJFSWCXGYPOTK-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001220883226 1032172411 /nfs/dbraw/zinc/17/24/11/1032172411.db2.gz KLJFSWCXGYPOTK-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001220883226 1032172416 /nfs/dbraw/zinc/17/24/16/1032172416.db2.gz KLJFSWCXGYPOTK-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC001226890944 1032179384 /nfs/dbraw/zinc/17/93/84/1032179384.db2.gz NSDJRFQXTWVNIP-FGZHOGPDSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001226890944 1032179392 /nfs/dbraw/zinc/17/93/92/1032179392.db2.gz NSDJRFQXTWVNIP-FGZHOGPDSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC001226890944 1032179399 /nfs/dbraw/zinc/17/93/99/1032179399.db2.gz NSDJRFQXTWVNIP-FGZHOGPDSA-N 2 1 388.600 3.659 20 0 GHADMP C[N@@H+](CCCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC001221036631 1032247133 /nfs/dbraw/zinc/24/71/33/1032247133.db2.gz GXOJBAVBTKHSGJ-UHFFFAOYSA-N 2 1 386.584 3.605 20 0 GHADMP Cc1csc2sc(C[N@@H+]3CCC[C@]34CCN(CC[NH+](C)C)C4=O)c(C)c12 ZINC001277201127 1032381692 /nfs/dbraw/zinc/38/16/92/1032381692.db2.gz PWCPTXNFEYSRNY-HXUWFJFHSA-N 2 1 391.606 3.708 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3ncnc4ccccc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001155357096 1032516200 /nfs/dbraw/zinc/51/62/00/1032516200.db2.gz ATTJDLRXJNEAEI-HXUWFJFHSA-N 2 1 387.531 3.544 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001204144238 1032600643 /nfs/dbraw/zinc/60/06/43/1032600643.db2.gz HFYOGQJCCQBROT-NRFANRHFSA-N 2 1 382.504 3.943 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001204176254 1032628693 /nfs/dbraw/zinc/62/86/93/1032628693.db2.gz KNXGWVXRUSZRRQ-UHFFFAOYSA-N 2 1 379.548 3.759 20 0 GHADMP Cc1ccc([C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2cccnc2)cc1 ZINC000925651870 1017127854 /nfs/dbraw/zinc/12/78/54/1017127854.db2.gz BIWSJHMHKYMWIR-QHCPKHFHSA-N 2 1 376.504 3.605 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn2ccnc12 ZINC000560443448 1017625874 /nfs/dbraw/zinc/62/58/74/1017625874.db2.gz ZXKRAUZNYOPFKL-VQTJNVASSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn2cc[nH+]c12 ZINC000560443448 1017625878 /nfs/dbraw/zinc/62/58/78/1017625878.db2.gz ZXKRAUZNYOPFKL-VQTJNVASSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn2cc[nH+]c12 ZINC000560443448 1017625884 /nfs/dbraw/zinc/62/58/84/1017625884.db2.gz ZXKRAUZNYOPFKL-VQTJNVASSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn2ccnc12 ZINC000560443445 1017625896 /nfs/dbraw/zinc/62/58/96/1017625896.db2.gz ZXKRAUZNYOPFKL-PMACEKPBSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn2cc[nH+]c12 ZINC000560443445 1017625904 /nfs/dbraw/zinc/62/59/04/1017625904.db2.gz ZXKRAUZNYOPFKL-PMACEKPBSA-N 2 1 389.503 3.629 20 0 GHADMP Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn2cc[nH+]c12 ZINC000560443445 1017625907 /nfs/dbraw/zinc/62/59/07/1017625907.db2.gz ZXKRAUZNYOPFKL-PMACEKPBSA-N 2 1 389.503 3.629 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC001204272876 1032716553 /nfs/dbraw/zinc/71/65/53/1032716553.db2.gz UNGQWKAVISVFKI-SZPZYZBQSA-N 2 1 379.548 3.585 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000562463259 1018178254 /nfs/dbraw/zinc/17/82/54/1018178254.db2.gz YSTMANFZSNHSOB-XMMPIXPASA-N 2 1 393.575 4.000 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000567127180 1019270843 /nfs/dbraw/zinc/27/08/43/1019270843.db2.gz DFQIYOPMOMAJKU-GOSISDBHSA-N 2 1 375.582 3.747 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOCC(F)(F)C(F)F)C2)s1 ZINC000569154835 1019468749 /nfs/dbraw/zinc/46/87/49/1019468749.db2.gz PYSPKNFBMZQDSJ-CQSZACIVSA-N 2 1 382.467 3.727 20 0 GHADMP C[NH+](C)Cc1cccc(CNc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001156044964 1032853881 /nfs/dbraw/zinc/85/38/81/1032853881.db2.gz WWKZHQUQTCGKFN-UHFFFAOYSA-N 2 1 387.531 3.709 20 0 GHADMP C[NH+](C)Cc1cccc(CNc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001156044964 1032853893 /nfs/dbraw/zinc/85/38/93/1032853893.db2.gz WWKZHQUQTCGKFN-UHFFFAOYSA-N 2 1 387.531 3.709 20 0 GHADMP CC(C)[N@@H+](CCCc1cncn1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000576169621 1019986825 /nfs/dbraw/zinc/98/68/25/1019986825.db2.gz MUDDTOSPZIIAJI-OAQYLSRUSA-N 2 1 381.520 3.656 20 0 GHADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000576169621 1019986830 /nfs/dbraw/zinc/98/68/30/1019986830.db2.gz MUDDTOSPZIIAJI-OAQYLSRUSA-N 2 1 381.520 3.656 20 0 GHADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000576169621 1019986833 /nfs/dbraw/zinc/98/68/33/1019986833.db2.gz MUDDTOSPZIIAJI-OAQYLSRUSA-N 2 1 381.520 3.656 20 0 GHADMP C[C@H](O)[C@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000576350229 1020007269 /nfs/dbraw/zinc/00/72/69/1020007269.db2.gz JYTJNTMVFCWKAE-SBUREZEXSA-N 2 1 385.527 3.568 20 0 GHADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000576444955 1020013499 /nfs/dbraw/zinc/01/34/99/1020013499.db2.gz ANWYCUSGJKMMQW-MAUKXSAKSA-N 2 1 395.519 3.989 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000579592785 1020425477 /nfs/dbraw/zinc/42/54/77/1020425477.db2.gz HGAOLCUJFFOKLW-KDURUIRLSA-N 2 1 379.504 3.739 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001204493692 1032926988 /nfs/dbraw/zinc/92/69/88/1032926988.db2.gz VDRHTJKZWSPVRI-ACIOBRDBSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001204493692 1032926989 /nfs/dbraw/zinc/92/69/89/1032926989.db2.gz VDRHTJKZWSPVRI-ACIOBRDBSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001204493692 1032926992 /nfs/dbraw/zinc/92/69/92/1032926992.db2.gz VDRHTJKZWSPVRI-ACIOBRDBSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001204493692 1032927001 /nfs/dbraw/zinc/92/70/01/1032927001.db2.gz VDRHTJKZWSPVRI-ACIOBRDBSA-N 2 1 377.532 3.749 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(NC(C)=O)c3)CC2)cs1 ZINC000631069788 1020856387 /nfs/dbraw/zinc/85/63/87/1020856387.db2.gz WXODSKRVGDZZBX-UHFFFAOYSA-N 2 1 386.565 3.666 20 0 GHADMP CC(=O)N1CCC(C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000638528675 1021046068 /nfs/dbraw/zinc/04/60/68/1021046068.db2.gz NQWWRHTWNXONJD-XMMPIXPASA-N 2 1 385.596 3.773 20 0 GHADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000834526298 1021246730 /nfs/dbraw/zinc/24/67/30/1021246730.db2.gz GNKBSKBFSAZVOQ-XBYSBRQOSA-N 2 1 380.532 3.761 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(N5CCCCC5)n4)[C@@H]3C2)cc1 ZINC001156315990 1032977956 /nfs/dbraw/zinc/97/79/56/1032977956.db2.gz DTUZZGZJUTZPLZ-PWRODBHTSA-N 2 1 377.536 3.789 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](Nc4cc[nH+]c(N5CCCCC5)n4)[C@@H]3C2)cc1 ZINC001156315990 1032977957 /nfs/dbraw/zinc/97/79/57/1032977957.db2.gz DTUZZGZJUTZPLZ-PWRODBHTSA-N 2 1 377.536 3.789 20 0 GHADMP c1csc(-c2cccc(CN3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)c2)n1 ZINC001140332659 1021428595 /nfs/dbraw/zinc/42/85/95/1021428595.db2.gz ZQTPHVAPBBYTOE-NHCUHLMSSA-N 2 1 376.529 3.769 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834768750 1021456444 /nfs/dbraw/zinc/45/64/44/1021456444.db2.gz FJVRZQNXAHXTNM-VQTJNVASSA-N 2 1 384.524 3.693 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001204594080 1032988556 /nfs/dbraw/zinc/98/85/56/1032988556.db2.gz XJCIUZYQKYSBOI-LJQANCHMSA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001204594080 1032988564 /nfs/dbraw/zinc/98/85/64/1032988564.db2.gz XJCIUZYQKYSBOI-LJQANCHMSA-N 2 1 389.565 3.751 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ncc(Br)cn2)CC1 ZINC000903320506 1021592511 /nfs/dbraw/zinc/59/25/11/1021592511.db2.gz JYWLVTDMYMIXTO-UHFFFAOYSA-N 2 1 389.341 3.772 20 0 GHADMP c1csc(-c2ccccc2C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001140450854 1021739597 /nfs/dbraw/zinc/73/95/97/1021739597.db2.gz DCRKORVRSSMLSJ-UHFFFAOYSA-N 2 1 393.560 3.661 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000679086885 1021958961 /nfs/dbraw/zinc/95/89/61/1021958961.db2.gz ONBLSDBURSJJCR-NEWSRXKRSA-N 2 1 388.531 3.677 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000679086885 1021958968 /nfs/dbraw/zinc/95/89/68/1021958968.db2.gz ONBLSDBURSJJCR-NEWSRXKRSA-N 2 1 388.531 3.677 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679327307 1021986279 /nfs/dbraw/zinc/98/62/79/1021986279.db2.gz HHAOPEWMOKDEAC-MDNUFGMLSA-N 2 1 382.548 3.543 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000679461215 1021998972 /nfs/dbraw/zinc/99/89/72/1021998972.db2.gz RMNAADIQKDXJTO-OALUTQOASA-N 2 1 382.552 3.801 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140654820 1022175776 /nfs/dbraw/zinc/17/57/76/1022175776.db2.gz FUWXSWBJSAYBMT-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140654820 1022175787 /nfs/dbraw/zinc/17/57/87/1022175787.db2.gz FUWXSWBJSAYBMT-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140654820 1022175798 /nfs/dbraw/zinc/17/57/98/1022175798.db2.gz FUWXSWBJSAYBMT-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cnc3cc[nH]cc1-3)CC2 ZINC001140802943 1022573594 /nfs/dbraw/zinc/57/35/94/1022573594.db2.gz FZZYFFCSKKYRQM-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140802943 1022573601 /nfs/dbraw/zinc/57/36/01/1022573601.db2.gz FZZYFFCSKKYRQM-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ccncc13)CC2 ZINC001140802943 1022573612 /nfs/dbraw/zinc/57/36/12/1022573612.db2.gz FZZYFFCSKKYRQM-OAQYLSRUSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802943 1022573624 /nfs/dbraw/zinc/57/36/24/1022573624.db2.gz FZZYFFCSKKYRQM-OAQYLSRUSA-N 3 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140802943 1022573640 /nfs/dbraw/zinc/57/36/40/1022573640.db2.gz FZZYFFCSKKYRQM-OAQYLSRUSA-N 3 1 390.531 3.818 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001140840524 1022675132 /nfs/dbraw/zinc/67/51/32/1022675132.db2.gz XXTGWDXTEOWXIY-UHFFFAOYSA-N 2 1 397.592 3.728 20 0 GHADMP CNc1nc(SC)ncc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001140840524 1022675145 /nfs/dbraw/zinc/67/51/45/1022675145.db2.gz XXTGWDXTEOWXIY-UHFFFAOYSA-N 2 1 397.592 3.728 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001140969126 1023033359 /nfs/dbraw/zinc/03/33/59/1023033359.db2.gz VJCUHJBGAKWZTK-VWLOTQADSA-N 2 1 386.543 3.845 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001140969126 1023033372 /nfs/dbraw/zinc/03/33/72/1023033372.db2.gz VJCUHJBGAKWZTK-VWLOTQADSA-N 2 1 386.543 3.845 20 0 GHADMP COc1cccc(-n2ccn(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2=S)c1 ZINC000755777254 1023372895 /nfs/dbraw/zinc/37/28/95/1023372895.db2.gz AXYSCPPYZSLENE-SFHVURJKSA-N 2 1 386.565 3.638 20 0 GHADMP COc1cccc(-n2ccn(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c2=S)c1 ZINC000755777254 1023372910 /nfs/dbraw/zinc/37/29/10/1023372910.db2.gz AXYSCPPYZSLENE-SFHVURJKSA-N 2 1 386.565 3.638 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3c4ccccc4nc3SC(F)F)C2)CC1 ZINC000755779561 1023374146 /nfs/dbraw/zinc/37/41/46/1023374146.db2.gz KHZDWYWAILGYNP-HNNXBMFYSA-N 2 1 380.508 3.972 20 0 GHADMP CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138057093 1023961992 /nfs/dbraw/zinc/96/19/92/1023961992.db2.gz GWLUPITUAYOVAL-PKTZIBPZSA-N 2 1 379.548 3.802 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc(O)c1OC ZINC001141175249 1024011119 /nfs/dbraw/zinc/01/11/19/1024011119.db2.gz OUKNQSDHVRHRNL-NHCUHLMSSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc(O)c1OC ZINC001141175249 1024011142 /nfs/dbraw/zinc/01/11/42/1024011142.db2.gz OUKNQSDHVRHRNL-NHCUHLMSSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(O)c1OC ZINC001141175249 1024011155 /nfs/dbraw/zinc/01/11/55/1024011155.db2.gz OUKNQSDHVRHRNL-NHCUHLMSSA-N 2 1 396.531 3.753 20 0 GHADMP CCOC(=O)c1ncc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001204938313 1033175520 /nfs/dbraw/zinc/17/55/20/1033175520.db2.gz QFAYWCGMCGYFSL-YSIASYRMSA-N 2 1 399.560 3.710 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001204938313 1033175532 /nfs/dbraw/zinc/17/55/32/1033175532.db2.gz QFAYWCGMCGYFSL-YSIASYRMSA-N 2 1 399.560 3.710 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC001204938313 1033175542 /nfs/dbraw/zinc/17/55/42/1033175542.db2.gz QFAYWCGMCGYFSL-YSIASYRMSA-N 2 1 399.560 3.710 20 0 GHADMP CCOc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001138098976 1024076383 /nfs/dbraw/zinc/07/63/83/1024076383.db2.gz FITMMJKLULGNTP-UHFFFAOYSA-N 2 1 380.532 3.952 20 0 GHADMP COC(=O)c1ccc2c(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001138267355 1024507172 /nfs/dbraw/zinc/50/71/72/1024507172.db2.gz ISOIGLNXGIOKSC-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1ccc2c(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001138267355 1024507184 /nfs/dbraw/zinc/50/71/84/1024507184.db2.gz ISOIGLNXGIOKSC-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1ccc2c(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c[nH]c2c1 ZINC001138267355 1024507198 /nfs/dbraw/zinc/50/71/98/1024507198.db2.gz ISOIGLNXGIOKSC-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001138448559 1024869493 /nfs/dbraw/zinc/86/94/93/1024869493.db2.gz MYIHRLRWHZTJCR-ISKFKSNPSA-N 2 1 394.563 3.565 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001138448559 1024869512 /nfs/dbraw/zinc/86/95/12/1024869512.db2.gz MYIHRLRWHZTJCR-ISKFKSNPSA-N 2 1 394.563 3.565 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138448559 1024869531 /nfs/dbraw/zinc/86/95/31/1024869531.db2.gz MYIHRLRWHZTJCR-ISKFKSNPSA-N 2 1 394.563 3.565 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001138448559 1024869541 /nfs/dbraw/zinc/86/95/41/1024869541.db2.gz MYIHRLRWHZTJCR-ISKFKSNPSA-N 2 1 394.563 3.565 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)cc1 ZINC001138544340 1024988388 /nfs/dbraw/zinc/98/83/88/1024988388.db2.gz GLUAEOABXQNALK-UYAOXDASSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)cc1 ZINC001138544340 1024988391 /nfs/dbraw/zinc/98/83/91/1024988391.db2.gz GLUAEOABXQNALK-UYAOXDASSA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)cc1 ZINC001138548337 1024995095 /nfs/dbraw/zinc/99/50/95/1024995095.db2.gz BBKBJVGMTAGHOJ-JOCHJYFZSA-N 2 1 386.499 3.634 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001138547960 1024995117 /nfs/dbraw/zinc/99/51/17/1024995117.db2.gz XVQNGJKWWJADCV-LJQANCHMSA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC001138547960 1024995125 /nfs/dbraw/zinc/99/51/25/1024995125.db2.gz XVQNGJKWWJADCV-LJQANCHMSA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001138549081 1024995949 /nfs/dbraw/zinc/99/59/49/1024995949.db2.gz QMFZNAQBBCSMMK-PMACEKPBSA-N 2 1 396.535 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc1 ZINC001138549081 1024995951 /nfs/dbraw/zinc/99/59/51/1024995951.db2.gz QMFZNAQBBCSMMK-PMACEKPBSA-N 2 1 396.535 3.870 20 0 GHADMP CCSc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001138657610 1025174635 /nfs/dbraw/zinc/17/46/35/1025174635.db2.gz JTXYITPYQTXUQM-SFTDATJTSA-N 2 1 382.577 3.933 20 0 GHADMP CCSc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001138657610 1025174641 /nfs/dbraw/zinc/17/46/41/1025174641.db2.gz JTXYITPYQTXUQM-SFTDATJTSA-N 2 1 382.577 3.933 20 0 GHADMP CCSc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001138657610 1025174648 /nfs/dbraw/zinc/17/46/48/1025174648.db2.gz JTXYITPYQTXUQM-SFTDATJTSA-N 2 1 382.577 3.933 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCO4)CC[C@@H]21 ZINC001138715745 1025238928 /nfs/dbraw/zinc/23/89/28/1025238928.db2.gz LMVFPQNRAYRXJE-VJBWXMMDSA-N 2 1 394.563 3.582 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4c(c3)CCCO4)CC[C@@H]21 ZINC001138715745 1025238940 /nfs/dbraw/zinc/23/89/40/1025238940.db2.gz LMVFPQNRAYRXJE-VJBWXMMDSA-N 2 1 394.563 3.582 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCCO4)CC[C@@H]21 ZINC001138715745 1025238953 /nfs/dbraw/zinc/23/89/53/1025238953.db2.gz LMVFPQNRAYRXJE-VJBWXMMDSA-N 2 1 394.563 3.582 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCCO4)CC[C@@H]21 ZINC001138715745 1025238964 /nfs/dbraw/zinc/23/89/64/1025238964.db2.gz LMVFPQNRAYRXJE-VJBWXMMDSA-N 2 1 394.563 3.582 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138773438 1025345479 /nfs/dbraw/zinc/34/54/79/1025345479.db2.gz DKWWWLVGXOYROW-LJQANCHMSA-N 2 1 385.527 3.645 20 0 GHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138773438 1025345488 /nfs/dbraw/zinc/34/54/88/1025345488.db2.gz DKWWWLVGXOYROW-LJQANCHMSA-N 2 1 385.527 3.645 20 0 GHADMP c1cc2cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)ccc2o1 ZINC001138822015 1025426073 /nfs/dbraw/zinc/42/60/73/1025426073.db2.gz PQQQCGXPNBAKRE-FYYLOGMGSA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2o1 ZINC001138822015 1025426077 /nfs/dbraw/zinc/42/60/77/1025426077.db2.gz PQQQCGXPNBAKRE-FYYLOGMGSA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)ccc2o1 ZINC001138822015 1025426079 /nfs/dbraw/zinc/42/60/79/1025426079.db2.gz PQQQCGXPNBAKRE-FYYLOGMGSA-N 2 1 377.488 3.551 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000838967898 1025485119 /nfs/dbraw/zinc/48/51/19/1025485119.db2.gz FLMOWFNIGCHTIH-GHTZIAJQSA-N 2 1 399.579 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000838967898 1025485125 /nfs/dbraw/zinc/48/51/25/1025485125.db2.gz FLMOWFNIGCHTIH-GHTZIAJQSA-N 2 1 399.579 3.886 20 0 GHADMP Fc1cnc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001138892632 1025540114 /nfs/dbraw/zinc/54/01/14/1025540114.db2.gz SLJVXZJUHAYFIE-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c1C ZINC001141565118 1025564394 /nfs/dbraw/zinc/56/43/94/1025564394.db2.gz UJCWBBZUDGQVAZ-QGZVFWFLSA-N 2 1 396.579 3.822 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138918862 1025583873 /nfs/dbraw/zinc/58/38/73/1025583873.db2.gz LLZVQQVHYZGUKC-UHFFFAOYSA-N 2 1 381.520 3.648 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138918862 1025583884 /nfs/dbraw/zinc/58/38/84/1025583884.db2.gz LLZVQQVHYZGUKC-UHFFFAOYSA-N 2 1 381.520 3.648 20 0 GHADMP CCC[C@@H]1CCCC[N@H+]1Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141573318 1025618448 /nfs/dbraw/zinc/61/84/48/1025618448.db2.gz UXCWOJRFAUQMSC-LJQANCHMSA-N 2 1 376.589 3.858 20 0 GHADMP CC(C)c1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc1 ZINC001162927778 1025970200 /nfs/dbraw/zinc/97/02/00/1025970200.db2.gz FCOWMTCKSDOMLH-NRFANRHFSA-N 2 1 379.552 3.514 20 0 GHADMP COc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(C)c1 ZINC001162935270 1025972333 /nfs/dbraw/zinc/97/23/33/1025972333.db2.gz QIAHAUWMZGXZIO-NRFANRHFSA-N 2 1 379.548 3.917 20 0 GHADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc2cc[nH]c21 ZINC001162940933 1025977778 /nfs/dbraw/zinc/97/77/78/1025977778.db2.gz BGJFKEPJQDWSFG-HXUWFJFHSA-N 2 1 389.547 3.785 20 0 GHADMP c1cn(Cc2ccccc2)c2c1cc[nH+]c2NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163277481 1026121410 /nfs/dbraw/zinc/12/14/10/1026121410.db2.gz GPDOAPFERVLBMW-CVDCTZTESA-N 2 1 376.504 3.655 20 0 GHADMP CC[NH+](CC)Cc1c(Br)cccc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163333688 1026149423 /nfs/dbraw/zinc/14/94/23/1026149423.db2.gz SYDLLSJWDYVAEJ-HNAYVOBHSA-N 2 1 396.373 3.614 20 0 GHADMP c1cn(Cc2ccccc2)c2c1cc[nH+]c2N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163644287 1026265110 /nfs/dbraw/zinc/26/51/10/1026265110.db2.gz DXSRXMYQQREEKN-NZQKXSOJSA-N 2 1 376.504 3.798 20 0 GHADMP Brc1ccc2[nH+]ccc(NCc3cccnc3C3CC[NH2+]CC3)c2c1 ZINC001163912471 1026359835 /nfs/dbraw/zinc/35/98/35/1026359835.db2.gz XQHCSJLEKZVUOB-UHFFFAOYSA-N 2 1 397.320 3.893 20 0 GHADMP C[N@H+](Cc1ccccc1N1CCOCC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001139507014 1026361399 /nfs/dbraw/zinc/36/13/99/1026361399.db2.gz LOEWCRUTCOELTC-UHFFFAOYSA-N 2 1 393.575 3.867 20 0 GHADMP CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513193 1026367702 /nfs/dbraw/zinc/36/77/02/1026367702.db2.gz OJTWBIZCAPZJOE-DEOSSOPVSA-N 2 1 393.575 3.744 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001139516281 1026374133 /nfs/dbraw/zinc/37/41/33/1026374133.db2.gz XVYJMJRXFWSKPU-VWLOTQADSA-N 2 1 391.559 3.620 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCOC[C@H]3C3CC3)CC2)cc1 ZINC001139516281 1026374146 /nfs/dbraw/zinc/37/41/46/1026374146.db2.gz XVYJMJRXFWSKPU-VWLOTQADSA-N 2 1 391.559 3.620 20 0 GHADMP Cc1ccccc1NC(=O)c1c(C)cccc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164211765 1026454681 /nfs/dbraw/zinc/45/46/81/1026454681.db2.gz SKOQIGQXYZBQOV-UHFFFAOYSA-N 2 1 394.563 3.994 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@](C)(C[NH3+])CC3)c2c1C ZINC001164247142 1026463102 /nfs/dbraw/zinc/46/31/02/1026463102.db2.gz FXLHLCHKWHHRPX-OAQYLSRUSA-N 2 1 387.597 3.859 20 0 GHADMP CCOc1ccc(C)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001139604189 1026469128 /nfs/dbraw/zinc/46/91/28/1026469128.db2.gz YAELNPAJRKQAKN-UHFFFAOYSA-N 2 1 384.520 3.854 20 0 GHADMP CCOc1ccc(C)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001139604189 1026469134 /nfs/dbraw/zinc/46/91/34/1026469134.db2.gz YAELNPAJRKQAKN-UHFFFAOYSA-N 2 1 384.520 3.854 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(-c4cccnc4)cc3)CC2)C1 ZINC001139645760 1026506721 /nfs/dbraw/zinc/50/67/21/1026506721.db2.gz SWFZSOPBHMXADL-JOCHJYFZSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(-c4cccnc4)cc3)CC2)C1 ZINC001139645760 1026506729 /nfs/dbraw/zinc/50/67/29/1026506729.db2.gz SWFZSOPBHMXADL-JOCHJYFZSA-N 2 1 393.531 3.598 20 0 GHADMP C[C@@H]1CC[C@H](C[NH3+])CN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001164475403 1026521201 /nfs/dbraw/zinc/52/12/01/1026521201.db2.gz ZQQOFBCUNRRJRL-HZPDHXFCSA-N 2 1 395.576 3.984 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](Cc1ccncc1Cl)C2 ZINC001139846160 1026664248 /nfs/dbraw/zinc/66/42/48/1026664248.db2.gz HRCWDISJCNGWCE-UHFFFAOYSA-N 2 1 382.895 3.913 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](Cc1ccncc1Cl)C2 ZINC001139846160 1026664253 /nfs/dbraw/zinc/66/42/53/1026664253.db2.gz HRCWDISJCNGWCE-UHFFFAOYSA-N 2 1 382.895 3.913 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5cc(Cl)ccc5[nH]4)C[C@H]3C2)cn1 ZINC001209719172 1027114676 /nfs/dbraw/zinc/11/46/76/1027114676.db2.gz IGYOHAWQMMWENE-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5cc(Cl)ccc5[nH]4)C[C@H]3C2)cn1 ZINC001209719172 1027114688 /nfs/dbraw/zinc/11/46/88/1027114688.db2.gz IGYOHAWQMMWENE-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5cc(Cl)ccc5[nH]4)C[C@H]3C2)cn1 ZINC001209719172 1027114700 /nfs/dbraw/zinc/11/47/00/1027114700.db2.gz IGYOHAWQMMWENE-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5cc(Cl)ccc5[nH]4)C[C@H]3C2)cn1 ZINC001209719172 1027114716 /nfs/dbraw/zinc/11/47/16/1027114716.db2.gz IGYOHAWQMMWENE-SJLPKXTDSA-N 2 1 383.927 3.509 20 0 GHADMP Brc1cccc2nc(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)sc21 ZINC001210261792 1027411975 /nfs/dbraw/zinc/41/19/75/1027411975.db2.gz GRVFHBBQXWEXOB-UHFFFAOYSA-N 2 1 390.310 3.607 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC001210805977 1027657625 /nfs/dbraw/zinc/65/76/25/1027657625.db2.gz COBJNDNDDWRDSG-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC001141925562 1027675851 /nfs/dbraw/zinc/67/58/51/1027675851.db2.gz WHTPPBVPWWGGDQ-RBUKOAKNSA-N 2 1 377.891 3.501 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1 ZINC001203948589 1027743436 /nfs/dbraw/zinc/74/34/36/1027743436.db2.gz WLWDVXDUDMCIFW-UHFFFAOYSA-N 2 1 393.531 3.884 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cccs1)CC2 ZINC001204012567 1027805484 /nfs/dbraw/zinc/80/54/84/1027805484.db2.gz DXYUEKJSYYZDCI-INIZCTEOSA-N 2 1 377.579 3.708 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cccs1)CC2 ZINC001204012567 1027805504 /nfs/dbraw/zinc/80/55/04/1027805504.db2.gz DXYUEKJSYYZDCI-INIZCTEOSA-N 2 1 377.579 3.708 20 0 GHADMP c1[nH]c2ccccc2c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001204047436 1027836437 /nfs/dbraw/zinc/83/64/37/1027836437.db2.gz XXAUGPQTBRLQCJ-UHFFFAOYSA-N 2 1 390.531 3.678 20 0 GHADMP COc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001204115812 1027888235 /nfs/dbraw/zinc/88/82/35/1027888235.db2.gz QVPDEXNJXBZGGR-NRFANRHFSA-N 2 1 396.531 3.656 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)cc(OC)c1O ZINC001204127539 1027899972 /nfs/dbraw/zinc/89/99/72/1027899972.db2.gz UQVXFTUWTXYVPD-UHFFFAOYSA-N 2 1 388.483 3.645 20 0 GHADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001142046855 1027950588 /nfs/dbraw/zinc/95/05/88/1027950588.db2.gz OGQIUSWMFGFSCR-NRFANRHFSA-N 2 1 375.601 3.756 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001142046855 1027950599 /nfs/dbraw/zinc/95/05/99/1027950599.db2.gz OGQIUSWMFGFSCR-NRFANRHFSA-N 2 1 375.601 3.756 20 0 GHADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001142046855 1027950608 /nfs/dbraw/zinc/95/06/08/1027950608.db2.gz OGQIUSWMFGFSCR-NRFANRHFSA-N 2 1 375.601 3.756 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccc5c(c4)OCCCO5)C3)C2)cc1 ZINC001142271932 1028540713 /nfs/dbraw/zinc/54/07/13/1028540713.db2.gz XXNQVXZAMQVURZ-XMMPIXPASA-N 2 1 378.516 3.946 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001142275268 1028549726 /nfs/dbraw/zinc/54/97/26/1028549726.db2.gz GKLCDTWUQAPZTA-RZUBCFFCSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001142275268 1028549737 /nfs/dbraw/zinc/54/97/37/1028549737.db2.gz GKLCDTWUQAPZTA-RZUBCFFCSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001142275268 1028549749 /nfs/dbraw/zinc/54/97/49/1028549749.db2.gz GKLCDTWUQAPZTA-RZUBCFFCSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001142275268 1028549763 /nfs/dbraw/zinc/54/97/63/1028549763.db2.gz GKLCDTWUQAPZTA-RZUBCFFCSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3[nH]nc4ccccc43)cc2)C[C@H]1C ZINC001461400524 1069534498 /nfs/dbraw/zinc/53/44/98/1069534498.db2.gz JVGXEQSHSJCRRA-KDURUIRLSA-N 2 1 392.547 3.862 20 0 GHADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3n[nH]c4ccccc43)cc2)C[C@H]1C ZINC001461400524 1069534501 /nfs/dbraw/zinc/53/45/01/1069534501.db2.gz JVGXEQSHSJCRRA-KDURUIRLSA-N 2 1 392.547 3.862 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3n[nH]c4ccccc43)cc2)C[C@H]1C ZINC001461400524 1069534503 /nfs/dbraw/zinc/53/45/03/1069534503.db2.gz JVGXEQSHSJCRRA-KDURUIRLSA-N 2 1 392.547 3.862 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(-c4ccc(C)cc4)cc3)CC[C@@H]2C1 ZINC001142305983 1028644791 /nfs/dbraw/zinc/64/47/91/1028644791.db2.gz UPNCHWXYSRWMJI-JWQCQUIFSA-N 2 1 394.559 3.831 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(-c4ccc(C)cc4)cc3)CC[C@@H]2C1 ZINC001142305983 1028644812 /nfs/dbraw/zinc/64/48/12/1028644812.db2.gz UPNCHWXYSRWMJI-JWQCQUIFSA-N 2 1 394.559 3.831 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(C)cc4)cc3)CC[C@@H]2C1 ZINC001142305983 1028644842 /nfs/dbraw/zinc/64/48/42/1028644842.db2.gz UPNCHWXYSRWMJI-JWQCQUIFSA-N 2 1 394.559 3.831 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC001461429939 1069546147 /nfs/dbraw/zinc/54/61/47/1069546147.db2.gz KKWGUDBCBNEYBD-OAQYLSRUSA-N 2 1 381.907 3.745 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001461537781 1069598366 /nfs/dbraw/zinc/59/83/66/1069598366.db2.gz JYWLKUYRQHFYGS-PMOLBWCYSA-N 2 1 387.568 3.600 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1 ZINC000842677918 1029484749 /nfs/dbraw/zinc/48/47/49/1029484749.db2.gz MHCLJVSLOCJEPV-IYWMVGAKSA-N 2 1 379.589 3.732 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842698438 1029507091 /nfs/dbraw/zinc/50/70/91/1029507091.db2.gz POWCPPJRPVEMTA-KJXWVISYSA-N 2 1 391.559 3.999 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000842698438 1029507096 /nfs/dbraw/zinc/50/70/96/1029507096.db2.gz POWCPPJRPVEMTA-KJXWVISYSA-N 2 1 391.559 3.999 20 0 GHADMP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842712363 1029522750 /nfs/dbraw/zinc/52/27/50/1029522750.db2.gz XQCBAGYWRGFBDY-FGZHOGPDSA-N 2 1 393.531 3.894 20 0 GHADMP NC(=O)OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842712363 1029522767 /nfs/dbraw/zinc/52/27/67/1029522767.db2.gz XQCBAGYWRGFBDY-FGZHOGPDSA-N 2 1 393.531 3.894 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(OC)cc1CC ZINC001461584266 1069623209 /nfs/dbraw/zinc/62/32/09/1069623209.db2.gz HXKTURRQJORFFN-ISKFKSNPSA-N 2 1 382.548 3.884 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(OC)cc1CC ZINC001461584266 1069623214 /nfs/dbraw/zinc/62/32/14/1069623214.db2.gz HXKTURRQJORFFN-ISKFKSNPSA-N 2 1 382.548 3.884 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1cncc(-c3ccc(C)cc3)c1)CC[NH2+]CC2 ZINC001222226321 1030018775 /nfs/dbraw/zinc/01/87/75/1030018775.db2.gz QTWJWPZAIKFPLB-JOCHJYFZSA-N 2 1 393.531 3.564 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cncc(-c3ccc(C)cc3)c1)CC[NH2+]CC2 ZINC001222226321 1030018788 /nfs/dbraw/zinc/01/87/88/1030018788.db2.gz QTWJWPZAIKFPLB-JOCHJYFZSA-N 2 1 393.531 3.564 20 0 GHADMP [NH3+]Cc1ccccc1-c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001217059396 1030133024 /nfs/dbraw/zinc/13/30/24/1030133024.db2.gz RAVMTMJPEXYVKG-LJQANCHMSA-N 2 1 375.407 3.734 20 0 GHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(-c3cccc([C@H](C)[NH3+])c3)n2)c1 ZINC001217098513 1030161297 /nfs/dbraw/zinc/16/12/97/1030161297.db2.gz LHUGQEZCBFRHPI-AWEZNQCLSA-N 2 1 387.443 3.811 20 0 GHADMP CCOc1cc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccn1 ZINC001222595684 1030222764 /nfs/dbraw/zinc/22/27/64/1030222764.db2.gz GPDFYFGXMHUBCB-QFIPXVFZSA-N 2 1 395.547 3.784 20 0 GHADMP CCOc1cc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)ccn1 ZINC001222595684 1030222774 /nfs/dbraw/zinc/22/27/74/1030222774.db2.gz GPDFYFGXMHUBCB-QFIPXVFZSA-N 2 1 395.547 3.784 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC001222629712 1030249439 /nfs/dbraw/zinc/24/94/39/1030249439.db2.gz MDWXQNZUBOGPTI-BETUJISGSA-N 2 1 377.248 3.899 20 0 GHADMP FC(F)(F)[C@H]1N(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC12CC[NH2+]CC2 ZINC001222642120 1030254193 /nfs/dbraw/zinc/25/41/93/1030254193.db2.gz FTKUNCTXRCJOSS-PMACEKPBSA-N 2 1 395.513 3.905 20 0 GHADMP C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001217993364 1030711044 /nfs/dbraw/zinc/71/10/44/1030711044.db2.gz WCNBWISMZHSGPT-DLVCFXQMSA-N 2 1 378.516 3.911 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@H]3COC4(C[NH2+]C4)C3)c2)CC[N@H+]1C ZINC001218060757 1030749036 /nfs/dbraw/zinc/74/90/36/1030749036.db2.gz ADDPKUUDJYYVHS-GBAAUQCPSA-N 2 1 384.564 3.738 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)C1 ZINC001224564017 1031047944 /nfs/dbraw/zinc/04/79/44/1031047944.db2.gz QDZCIRRJQKIBNW-YADHBBJMSA-N 2 1 392.632 3.650 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC001224734672 1031092827 /nfs/dbraw/zinc/09/28/27/1031092827.db2.gz ISZMGYDLUPMMIL-OALUTQOASA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001224734672 1031092838 /nfs/dbraw/zinc/09/28/38/1031092838.db2.gz ISZMGYDLUPMMIL-OALUTQOASA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001224734672 1031092856 /nfs/dbraw/zinc/09/28/56/1031092856.db2.gz ISZMGYDLUPMMIL-OALUTQOASA-N 2 1 380.621 3.697 20 0 GHADMP O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001218849679 1031113873 /nfs/dbraw/zinc/11/38/73/1031113873.db2.gz WRICYPQXQVQVGJ-RTBURBONSA-N 2 1 389.421 3.539 20 0 GHADMP O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001218849679 1031113885 /nfs/dbraw/zinc/11/38/85/1031113885.db2.gz WRICYPQXQVQVGJ-RTBURBONSA-N 2 1 389.421 3.539 20 0 GHADMP O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001218859489 1031120697 /nfs/dbraw/zinc/12/06/97/1031120697.db2.gz AXYNTDLNCMQQKH-QGZVFWFLSA-N 2 1 399.535 3.521 20 0 GHADMP Cc1cnc2c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cccc2c1Cl ZINC001219608868 1031520299 /nfs/dbraw/zinc/52/02/99/1031520299.db2.gz SQKMHIXWQGULQB-HNNXBMFYSA-N 2 1 391.947 3.590 20 0 GHADMP Cc1cnc2c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cccc2c1Cl ZINC001219608868 1031520307 /nfs/dbraw/zinc/52/03/07/1031520307.db2.gz SQKMHIXWQGULQB-HNNXBMFYSA-N 2 1 391.947 3.590 20 0 GHADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)[C@@H]1CC12CCCCC2 ZINC001219726925 1031580657 /nfs/dbraw/zinc/58/06/57/1031580657.db2.gz RYTWHXJZAOFCFE-VXKWHMMOSA-N 2 1 395.591 3.575 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@H]1C[NH2+]Cc2ccsc21)c1ccccc1 ZINC001219824981 1031636928 /nfs/dbraw/zinc/63/69/28/1031636928.db2.gz ANFZTHCYBVZXGU-SFTDATJTSA-N 2 1 391.540 3.882 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@H]1C[NH2+]Cc2ccsc21)c1ccccc1 ZINC001219824981 1031636937 /nfs/dbraw/zinc/63/69/37/1031636937.db2.gz ANFZTHCYBVZXGU-SFTDATJTSA-N 2 1 391.540 3.882 20 0 GHADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1 ZINC001219940876 1031707742 /nfs/dbraw/zinc/70/77/42/1031707742.db2.gz HHKDXUPRRRDLAB-RDPSFJRHSA-N 2 1 387.527 3.868 20 0 GHADMP C[C@@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001220195011 1031829820 /nfs/dbraw/zinc/82/98/20/1031829820.db2.gz MNVZARASQJZHBO-QZTJIDSGSA-N 2 1 385.556 3.846 20 0 GHADMP C[C@@H](NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001220195011 1031829834 /nfs/dbraw/zinc/82/98/34/1031829834.db2.gz MNVZARASQJZHBO-QZTJIDSGSA-N 2 1 385.556 3.846 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3ccc(OCCC[NH+](C)C)nc3)c(C)c2)CC1 ZINC001205212355 1033307162 /nfs/dbraw/zinc/30/71/62/1033307162.db2.gz PBXRHQLJKXMCAJ-UHFFFAOYSA-N 2 1 380.536 3.892 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001205315341 1033356541 /nfs/dbraw/zinc/35/65/41/1033356541.db2.gz DWVMBLFOJXOUJR-FXAWDEMLSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001205315341 1033356556 /nfs/dbraw/zinc/35/65/56/1033356556.db2.gz DWVMBLFOJXOUJR-FXAWDEMLSA-N 2 1 384.520 3.700 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)CCCO1 ZINC001205405999 1033395983 /nfs/dbraw/zinc/39/59/83/1033395983.db2.gz PEJVVGMKUKKJJZ-RBUKOAKNSA-N 2 1 397.604 3.503 20 0 GHADMP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229302593 1033402753 /nfs/dbraw/zinc/40/27/53/1033402753.db2.gz KNSLWPWMNRQAGX-WIYYLYMNSA-N 2 1 381.520 3.820 20 0 GHADMP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ccc(C(=O)CC[NH+](C)C)cc2)C1 ZINC001229302593 1033402767 /nfs/dbraw/zinc/40/27/67/1033402767.db2.gz KNSLWPWMNRQAGX-WIYYLYMNSA-N 2 1 381.520 3.820 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccc(Br)c2Br)CC1 ZINC001205578525 1033478023 /nfs/dbraw/zinc/47/80/23/1033478023.db2.gz DSWQJZOWXBKQRL-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(Br)c2Br)CC1 ZINC001205578525 1033478031 /nfs/dbraw/zinc/47/80/31/1033478031.db2.gz DSWQJZOWXBKQRL-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205616756 1033493775 /nfs/dbraw/zinc/49/37/75/1033493775.db2.gz GWFLXUULNPFYOD-RTBURBONSA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205616756 1033493780 /nfs/dbraw/zinc/49/37/80/1033493780.db2.gz GWFLXUULNPFYOD-RTBURBONSA-N 2 1 386.561 3.635 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001205615576 1033494521 /nfs/dbraw/zinc/49/45/21/1033494521.db2.gz RNCGQTYOUPZMQT-FDFHNCONSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001205615576 1033494526 /nfs/dbraw/zinc/49/45/26/1033494526.db2.gz RNCGQTYOUPZMQT-FDFHNCONSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001205615576 1033494532 /nfs/dbraw/zinc/49/45/32/1033494532.db2.gz RNCGQTYOUPZMQT-FDFHNCONSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2c(Br)cccc2OC(F)F)CC[C@H]1C[NH3+] ZINC001205651387 1033511593 /nfs/dbraw/zinc/51/15/93/1033511593.db2.gz DLUDGPRKBBHXHY-RYUDHWBXSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC001205653926 1033511732 /nfs/dbraw/zinc/51/17/32/1033511732.db2.gz VWNPEDRCJUIYTM-NWDGAFQWSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(I)ccc2Cl)CC[C@@H]1C[NH3+] ZINC001205662660 1033517410 /nfs/dbraw/zinc/51/74/10/1033517410.db2.gz CXJLIHWIROTWQJ-VXGBXAGGSA-N 2 1 392.712 3.751 20 0 GHADMP C[N@@H+](Cc1cccc(COc2ccccc2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001205685313 1033530442 /nfs/dbraw/zinc/53/04/42/1033530442.db2.gz SKPQRIJQKCSBLA-DEOSSOPVSA-N 2 1 393.575 3.866 20 0 GHADMP c1cn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c2c1C[NH2+]CC2 ZINC001157449730 1033599011 /nfs/dbraw/zinc/59/90/11/1033599011.db2.gz XCTWOCOKPICFMB-UHFFFAOYSA-N 2 1 393.560 3.602 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)CCC[C@@H]1C[NH3+] ZINC001205996209 1033676233 /nfs/dbraw/zinc/67/62/33/1033676233.db2.gz WAZUMNKKQABHKF-QWHCGFSZSA-N 2 1 386.487 3.974 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)s2)cc1OC ZINC001206011798 1033685994 /nfs/dbraw/zinc/68/59/94/1033685994.db2.gz GOTMWIWNKYMITF-GOEBONIOSA-N 2 1 375.538 3.634 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2OC(F)F)CCC[C@H]1C[NH3+] ZINC001206025894 1033693403 /nfs/dbraw/zinc/69/34/03/1033693403.db2.gz PTFLKLSRKXFQKK-NEPJUHHUSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccccc2C2CC[NH2+]CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615749 1033693583 /nfs/dbraw/zinc/69/35/83/1033693583.db2.gz OSVBEXJVXLBJNV-UXHICEINSA-N 2 1 391.559 3.889 20 0 GHADMP CCC[NH+]1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc(C)c(C)c43)C[C@@H]2C1 ZINC001157698014 1033728910 /nfs/dbraw/zinc/72/89/10/1033728910.db2.gz AMQPHIDJOFFDFE-ROUUACIJSA-N 2 1 399.608 3.682 20 0 GHADMP Cc1nc2c(c(O[C@H]3CC[C@H]([NH+](C)C)CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC001229896478 1033779835 /nfs/dbraw/zinc/77/98/35/1033779835.db2.gz PRSOTLVUSYIBDZ-MXVIHJGJSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(O[C@H]3CC[C@H]([NH+](C)C)CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001229896478 1033779847 /nfs/dbraw/zinc/77/98/47/1033779847.db2.gz PRSOTLVUSYIBDZ-MXVIHJGJSA-N 2 1 380.536 3.595 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccccc2CS(=O)(=O)c2ccccc2)CC1 ZINC001206324418 1033796027 /nfs/dbraw/zinc/79/60/27/1033796027.db2.gz BCABDAMNRGPBBR-JOCHJYFZSA-N 2 1 386.561 3.611 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158028304 1033872062 /nfs/dbraw/zinc/87/20/62/1033872062.db2.gz OKYXQCWFVWOKDF-BKULYWANSA-N 2 1 383.580 3.527 20 0 GHADMP COc1ccccc1CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206684310 1033943853 /nfs/dbraw/zinc/94/38/53/1033943853.db2.gz QCPLOWZKVQZVDK-UHFFFAOYSA-N 2 1 394.559 3.982 20 0 GHADMP CCN(c1nc(C[NH+](CC)CC)nc2sc(C)c(C)c21)[C@@H]1CCC[NH2+]C1 ZINC001158205674 1033963157 /nfs/dbraw/zinc/96/31/57/1033963157.db2.gz VMAQKTLFLYOWND-MRXNPFEDSA-N 2 1 375.586 3.728 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2cc(C)nc(C)n2)C2CC[NH2+]CC2)nc1 ZINC001158395654 1034060005 /nfs/dbraw/zinc/06/00/05/1034060005.db2.gz CMWCPTXRFHXUFD-NRFANRHFSA-N 2 1 394.567 3.925 20 0 GHADMP C[NH+](C)C[C@@H]1C[NH+](CCCCc2cccc(C(F)(F)F)c2)C[C@H]1C[NH+](C)C ZINC001207120104 1034106935 /nfs/dbraw/zinc/10/69/35/1034106935.db2.gz RTDNRKCQDONVTB-RTBURBONSA-N 3 1 385.518 3.699 20 0 GHADMP CC[N@H+](CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001230684673 1034178707 /nfs/dbraw/zinc/17/87/07/1034178707.db2.gz BYPRRUWJLHVRQJ-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC001230684673 1034178714 /nfs/dbraw/zinc/17/87/14/1034178714.db2.gz BYPRRUWJLHVRQJ-UHFFFAOYSA-N 2 1 386.584 3.559 20 0 GHADMP CC1=CC[C@@H](CC[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)C1(C)C ZINC001207272284 1034227150 /nfs/dbraw/zinc/22/71/50/1034227150.db2.gz MXNAANWXXRUCOE-BHDDXSALSA-N 2 1 387.612 3.776 20 0 GHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001207278921 1034233718 /nfs/dbraw/zinc/23/37/18/1034233718.db2.gz HBOYZGAFZMUYIB-MOPGFXCFSA-N 2 1 381.605 3.933 20 0 GHADMP O[C@@]1(C(F)(F)F)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC001207286809 1034237536 /nfs/dbraw/zinc/23/75/36/1034237536.db2.gz MWHTVQSBAUPRGM-MOPGFXCFSA-N 2 1 388.449 3.626 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001207294765 1034247618 /nfs/dbraw/zinc/24/76/18/1034247618.db2.gz SWLKMPLJKOCRMS-NQIIRXRSSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(-n4ccc(C[NH3+])c4)c23)C1 ZINC001158766682 1034265605 /nfs/dbraw/zinc/26/56/05/1034265605.db2.gz DNWUZWOMRYOWAX-AWEZNQCLSA-N 2 1 381.549 3.661 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207376741 1034320450 /nfs/dbraw/zinc/32/04/50/1034320450.db2.gz ZQMDOOSDLYAQOI-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207376741 1034320466 /nfs/dbraw/zinc/32/04/66/1034320466.db2.gz ZQMDOOSDLYAQOI-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001207376741 1034320476 /nfs/dbraw/zinc/32/04/76/1034320476.db2.gz ZQMDOOSDLYAQOI-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001207376741 1034320497 /nfs/dbraw/zinc/32/04/97/1034320497.db2.gz ZQMDOOSDLYAQOI-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC001207401050 1034341321 /nfs/dbraw/zinc/34/13/21/1034341321.db2.gz LAVAACUSRIJRDA-LEWJYISDSA-N 2 1 376.516 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)CC2CC[NH2+]CC2)C1 ZINC001207440672 1034370709 /nfs/dbraw/zinc/37/07/09/1034370709.db2.gz BSFMWPGIWKGDHK-NRFANRHFSA-N 2 1 387.568 3.888 20 0 GHADMP COc1ccccc1CC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001207452251 1034374732 /nfs/dbraw/zinc/37/47/32/1034374732.db2.gz JRXVPUCSJGFVDV-FQEVSTJZSA-N 2 1 384.520 3.586 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207483203 1034393433 /nfs/dbraw/zinc/39/34/33/1034393433.db2.gz UWMMYOGFLDMQNI-FQEVSTJZSA-N 3 1 391.625 3.535 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2Cc3ccccc3C[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001207488353 1034394285 /nfs/dbraw/zinc/39/42/85/1034394285.db2.gz JATFJKAUSGYHEX-NRFANRHFSA-N 2 1 387.568 3.670 20 0 GHADMP C[NH+]1CCC(CC[N@@H+](C2CCC2)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207488676 1034395136 /nfs/dbraw/zinc/39/51/36/1034395136.db2.gz OEKRVIXVMOGMNR-FQEVSTJZSA-N 2 1 379.589 3.972 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001231106142 1034400854 /nfs/dbraw/zinc/40/08/54/1034400854.db2.gz KYJYWVUORIHUNM-VXKWHMMOSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001231106142 1034400861 /nfs/dbraw/zinc/40/08/61/1034400861.db2.gz KYJYWVUORIHUNM-VXKWHMMOSA-N 2 1 390.616 3.737 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001231106142 1034400864 /nfs/dbraw/zinc/40/08/64/1034400864.db2.gz KYJYWVUORIHUNM-VXKWHMMOSA-N 2 1 390.616 3.737 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635355 1034501055 /nfs/dbraw/zinc/50/10/55/1034501055.db2.gz JEQLUBGELCKBIE-WOJBJXKFSA-N 2 1 396.616 3.693 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC2)C1 ZINC001207635354 1034501862 /nfs/dbraw/zinc/50/18/62/1034501862.db2.gz JEQLUBGELCKBIE-VQTJNVASSA-N 2 1 396.616 3.693 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001207638506 1034503409 /nfs/dbraw/zinc/50/34/09/1034503409.db2.gz CKHFERFZNKWMAS-XKCSPQBFSA-N 2 1 380.617 3.634 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001207638506 1034503422 /nfs/dbraw/zinc/50/34/22/1034503422.db2.gz CKHFERFZNKWMAS-XKCSPQBFSA-N 2 1 380.617 3.634 20 0 GHADMP C[C@@H](CCCC(C)(C)O)CC[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001207638506 1034503434 /nfs/dbraw/zinc/50/34/34/1034503434.db2.gz CKHFERFZNKWMAS-XKCSPQBFSA-N 2 1 380.617 3.634 20 0 GHADMP C(OC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CC1CCSCC1)C2)C1CC1 ZINC001207707492 1034537958 /nfs/dbraw/zinc/53/79/58/1034537958.db2.gz SZKQGNYJXAYSRI-VXKWHMMOSA-N 2 1 378.626 3.590 20 0 GHADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CC1CCSCC1)C2)C1CC1 ZINC001207707492 1034537968 /nfs/dbraw/zinc/53/79/68/1034537968.db2.gz SZKQGNYJXAYSRI-VXKWHMMOSA-N 2 1 378.626 3.590 20 0 GHADMP C(OC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CC1CCSCC1)C2)C1CC1 ZINC001207707492 1034537978 /nfs/dbraw/zinc/53/79/78/1034537978.db2.gz SZKQGNYJXAYSRI-VXKWHMMOSA-N 2 1 378.626 3.590 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770291 1034566942 /nfs/dbraw/zinc/56/69/42/1034566942.db2.gz SZBGTKNLIQWLCG-YADHBBJMSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770291 1034566952 /nfs/dbraw/zinc/56/69/52/1034566952.db2.gz SZBGTKNLIQWLCG-YADHBBJMSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770291 1034566955 /nfs/dbraw/zinc/56/69/55/1034566955.db2.gz SZBGTKNLIQWLCG-YADHBBJMSA-N 2 1 399.579 3.697 20 0 GHADMP CCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207838445 1034616139 /nfs/dbraw/zinc/61/61/39/1034616139.db2.gz YLAPCBBBGLJJRU-GBESFXJTSA-N 2 1 379.589 3.734 20 0 GHADMP C[NH+](C)[C@H](CNc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(Cl)cc1Cl ZINC001159515791 1034632042 /nfs/dbraw/zinc/63/20/42/1034632042.db2.gz QNINTTIEXFFQFO-GOSISDBHSA-N 2 1 394.350 3.513 20 0 GHADMP Cc1c(C)c(C)c(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)c(C)c1C ZINC001231494022 1034638410 /nfs/dbraw/zinc/63/84/10/1034638410.db2.gz RHOCKKNUVSKHCY-UHFFFAOYSA-N 2 1 398.595 3.909 20 0 GHADMP C[C@H](C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1)c1ccccc1 ZINC001207905297 1034647570 /nfs/dbraw/zinc/64/75/70/1034647570.db2.gz JJXBSXLDJHGSNO-JFTIXFDTSA-N 2 1 378.564 3.862 20 0 GHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1)c1ccccc1 ZINC001207905297 1034647578 /nfs/dbraw/zinc/64/75/78/1034647578.db2.gz JJXBSXLDJHGSNO-JFTIXFDTSA-N 2 1 378.564 3.862 20 0 GHADMP C[C@H](C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1)c1ccccc1 ZINC001207905297 1034647588 /nfs/dbraw/zinc/64/75/88/1034647588.db2.gz JJXBSXLDJHGSNO-JFTIXFDTSA-N 2 1 378.564 3.862 20 0 GHADMP CC(C)([NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1)c1ccnc(Cl)c1 ZINC001159631042 1034697526 /nfs/dbraw/zinc/69/75/26/1034697526.db2.gz AMUSFUZCTJEZIR-MXVIHJGJSA-N 2 1 391.003 3.899 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CC[C@H](C)SC)CC2 ZINC001208139613 1034752526 /nfs/dbraw/zinc/75/25/26/1034752526.db2.gz AQIAWPWKZXCDLP-DLBZAZTESA-N 2 1 383.627 3.588 20 0 GHADMP CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001208175965 1034775911 /nfs/dbraw/zinc/77/59/11/1034775911.db2.gz OOBNPWWRWJCTGE-JTHBVZDNSA-N 2 1 383.580 3.988 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCCC1 ZINC001208185535 1034783654 /nfs/dbraw/zinc/78/36/54/1034783654.db2.gz AKYSIAFNKGISHG-HTZLVSCSSA-N 2 1 387.543 3.844 20 0 GHADMP c1cc2cc(CN3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)ncc2[nH]1 ZINC001231666552 1034820888 /nfs/dbraw/zinc/82/08/88/1034820888.db2.gz OARMZLJCVDRDNA-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)ncc2[nH]1 ZINC001231666552 1034820895 /nfs/dbraw/zinc/82/08/95/1034820895.db2.gz OARMZLJCVDRDNA-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)ncc2[nH]1 ZINC001231666552 1034820906 /nfs/dbraw/zinc/82/09/06/1034820906.db2.gz OARMZLJCVDRDNA-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)ncc2[nH]1 ZINC001231666552 1034820921 /nfs/dbraw/zinc/82/09/21/1034820921.db2.gz OARMZLJCVDRDNA-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1cc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)ncc2[nH]1 ZINC001231666552 1034820935 /nfs/dbraw/zinc/82/09/35/1034820935.db2.gz OARMZLJCVDRDNA-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccc(CC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001160015047 1034830059 /nfs/dbraw/zinc/83/00/59/1034830059.db2.gz SPABQRSOJOUBSK-UHFFFAOYSA-N 2 1 378.564 3.720 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606822 1034952202 /nfs/dbraw/zinc/95/22/02/1034952202.db2.gz HEHURWZWJQJILT-TZIWHRDSSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606822 1034952207 /nfs/dbraw/zinc/95/22/07/1034952207.db2.gz HEHURWZWJQJILT-TZIWHRDSSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606822 1034952210 /nfs/dbraw/zinc/95/22/10/1034952210.db2.gz HEHURWZWJQJILT-TZIWHRDSSA-N 2 1 399.579 3.665 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC001208621023 1034956430 /nfs/dbraw/zinc/95/64/30/1034956430.db2.gz JNSWSFVMMMHVME-FKBYEOEOSA-N 2 1 399.579 3.964 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC001208621023 1034956434 /nfs/dbraw/zinc/95/64/34/1034956434.db2.gz JNSWSFVMMMHVME-FKBYEOEOSA-N 2 1 399.579 3.964 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 ZINC001208621023 1034956439 /nfs/dbraw/zinc/95/64/39/1034956439.db2.gz JNSWSFVMMMHVME-FKBYEOEOSA-N 2 1 399.579 3.964 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C[C@H]3COC4(CCCCC4)O3)C[C@H]21 ZINC001208637987 1034964311 /nfs/dbraw/zinc/96/43/11/1034964311.db2.gz CIZWLLPKNNNSTK-KZKAQZJJSA-N 2 1 399.579 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C[C@H]3COC4(CCCCC4)O3)C[C@H]21 ZINC001208637987 1034964315 /nfs/dbraw/zinc/96/43/15/1034964315.db2.gz CIZWLLPKNNNSTK-KZKAQZJJSA-N 2 1 399.579 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C[C@H]3COC4(CCCCC4)O3)C[C@H]21 ZINC001208637987 1034964319 /nfs/dbraw/zinc/96/43/19/1034964319.db2.gz CIZWLLPKNNNSTK-KZKAQZJJSA-N 2 1 399.579 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C[C@H]3COC4(CCCCC4)O3)C[C@H]21 ZINC001208637987 1034964322 /nfs/dbraw/zinc/96/43/22/1034964322.db2.gz CIZWLLPKNNNSTK-KZKAQZJJSA-N 2 1 399.579 3.690 20 0 GHADMP CCCCC[C@H]([NH2+]C)C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001160456938 1034979815 /nfs/dbraw/zinc/97/98/15/1034979815.db2.gz VCMSQNWTLQWMBM-SFHVURJKSA-N 2 1 388.943 3.705 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC001231907640 1034983142 /nfs/dbraw/zinc/98/31/42/1034983142.db2.gz WYYXOEAATFQNGQ-KJXAQDMKSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC001231907640 1034983145 /nfs/dbraw/zinc/98/31/45/1034983145.db2.gz WYYXOEAATFQNGQ-KJXAQDMKSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC001231907640 1034983149 /nfs/dbraw/zinc/98/31/49/1034983149.db2.gz WYYXOEAATFQNGQ-KJXAQDMKSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)C[C@H]21 ZINC001231907640 1034983151 /nfs/dbraw/zinc/98/31/51/1034983151.db2.gz WYYXOEAATFQNGQ-KJXAQDMKSA-N 2 1 375.520 3.690 20 0 GHADMP c1[nH]nc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCC3CC3)ccc12 ZINC001231907548 1034983549 /nfs/dbraw/zinc/98/35/49/1034983549.db2.gz OVAIYYWOHQIGLL-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)ccc12 ZINC001231907548 1034983553 /nfs/dbraw/zinc/98/35/53/1034983553.db2.gz OVAIYYWOHQIGLL-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)ccc12 ZINC001231907548 1034983555 /nfs/dbraw/zinc/98/35/55/1034983555.db2.gz OVAIYYWOHQIGLL-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COCC4CC4)C3)ccc12 ZINC001231907548 1034983559 /nfs/dbraw/zinc/98/35/59/1034983559.db2.gz OVAIYYWOHQIGLL-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCCc3ccc(F)cc3)CC[C@@H]21 ZINC001208766633 1035009230 /nfs/dbraw/zinc/00/92/30/1035009230.db2.gz GJUMCMPTGMBXRH-PUHATCMVSA-N 2 1 384.543 3.828 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCCc3ccc(F)cc3)CC[C@@H]21 ZINC001208766633 1035009235 /nfs/dbraw/zinc/00/92/35/1035009235.db2.gz GJUMCMPTGMBXRH-PUHATCMVSA-N 2 1 384.543 3.828 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCCc3ccc(F)cc3)CC[C@@H]21 ZINC001208766633 1035009243 /nfs/dbraw/zinc/00/92/43/1035009243.db2.gz GJUMCMPTGMBXRH-PUHATCMVSA-N 2 1 384.543 3.828 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001231976764 1035018389 /nfs/dbraw/zinc/01/83/89/1035018389.db2.gz NDIAMVDJGMPGFN-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001231976764 1035018397 /nfs/dbraw/zinc/01/83/97/1035018397.db2.gz NDIAMVDJGMPGFN-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001231976764 1035018406 /nfs/dbraw/zinc/01/84/06/1035018406.db2.gz NDIAMVDJGMPGFN-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001231976764 1035018416 /nfs/dbraw/zinc/01/84/16/1035018416.db2.gz NDIAMVDJGMPGFN-WOJBJXKFSA-N 2 1 395.938 3.576 20 0 GHADMP FC1(F)CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@]12CCN(c1ccccn1)C2 ZINC001232013908 1035044298 /nfs/dbraw/zinc/04/42/98/1035044298.db2.gz VMRVWFVLSIDAPM-FQEVSTJZSA-N 2 1 383.446 3.696 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc5c[nH+]ccc5[nH]4)CC3)C2)cc1 ZINC001232014752 1035044503 /nfs/dbraw/zinc/04/45/03/1035044503.db2.gz OPCKJGVQKQCGGI-UHFFFAOYSA-N 3 1 390.531 3.738 20 0 GHADMP FC1(F)CCN(Cc2cc3c[nH+]ccc3[nH]2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001232015052 1035045674 /nfs/dbraw/zinc/04/56/74/1035045674.db2.gz QZAOZJZZMWUSFG-OAQYLSRUSA-N 2 1 397.473 3.691 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CCN(CCCc3ccccc3Cl)CC2)C1 ZINC001208875532 1035072440 /nfs/dbraw/zinc/07/24/40/1035072440.db2.gz XKZCPJWTUWSQPX-SFHVURJKSA-N 2 1 378.944 3.622 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C(F)(F)F)n1 ZINC001232088841 1035087637 /nfs/dbraw/zinc/08/76/37/1035087637.db2.gz LCQCRWJIIGQGAK-ZWKOTPCHSA-N 2 1 392.469 3.783 20 0 GHADMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C(F)(F)F)n1 ZINC001232088841 1035087643 /nfs/dbraw/zinc/08/76/43/1035087643.db2.gz LCQCRWJIIGQGAK-ZWKOTPCHSA-N 2 1 392.469 3.783 20 0 GHADMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C(F)(F)F)n1 ZINC001232088841 1035087654 /nfs/dbraw/zinc/08/76/54/1035087654.db2.gz LCQCRWJIIGQGAK-ZWKOTPCHSA-N 2 1 392.469 3.783 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941601 1035109700 /nfs/dbraw/zinc/10/97/00/1035109700.db2.gz MRBBLHAVFGLFFP-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941601 1035109703 /nfs/dbraw/zinc/10/97/03/1035109703.db2.gz MRBBLHAVFGLFFP-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC001208941601 1035109709 /nfs/dbraw/zinc/10/97/09/1035109709.db2.gz MRBBLHAVFGLFFP-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942626 1035111876 /nfs/dbraw/zinc/11/18/76/1035111876.db2.gz QPAHZJWQQSFBNK-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942626 1035111881 /nfs/dbraw/zinc/11/18/81/1035111881.db2.gz QPAHZJWQQSFBNK-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942626 1035111886 /nfs/dbraw/zinc/11/18/86/1035111886.db2.gz QPAHZJWQQSFBNK-NHCUHLMSSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001160986599 1035112565 /nfs/dbraw/zinc/11/25/65/1035112565.db2.gz NCFLTHVEBUDTHM-QFIPXVFZSA-N 2 1 397.538 3.839 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208942986 1035113880 /nfs/dbraw/zinc/11/38/80/1035113880.db2.gz KOUVYYKWVMTTQN-VXKWHMMOSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208942986 1035113885 /nfs/dbraw/zinc/11/38/85/1035113885.db2.gz KOUVYYKWVMTTQN-VXKWHMMOSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208942986 1035113889 /nfs/dbraw/zinc/11/38/89/1035113889.db2.gz KOUVYYKWVMTTQN-VXKWHMMOSA-N 2 1 395.547 3.846 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c1 ZINC001232144989 1035123098 /nfs/dbraw/zinc/12/30/98/1035123098.db2.gz QUTVQLCDWWKFFY-QFIPXVFZSA-N 2 1 391.531 3.863 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951695 1035123511 /nfs/dbraw/zinc/12/35/11/1035123511.db2.gz BCPODZIIHBXAMG-FGZHOGPDSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@H](COC)[NH+](CCC(=O)OCC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951695 1035123514 /nfs/dbraw/zinc/12/35/14/1035123514.db2.gz BCPODZIIHBXAMG-FGZHOGPDSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@H](COC)[NH+](CCC(=O)OCC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951695 1035123517 /nfs/dbraw/zinc/12/35/17/1035123517.db2.gz BCPODZIIHBXAMG-FGZHOGPDSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208951692 1035123725 /nfs/dbraw/zinc/12/37/25/1035123725.db2.gz BCPODZIIHBXAMG-FCHUYYIVSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@H](COC)[NH+](CCC(=O)OCC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208951692 1035123727 /nfs/dbraw/zinc/12/37/27/1035123727.db2.gz BCPODZIIHBXAMG-FCHUYYIVSA-N 2 1 390.568 3.579 20 0 GHADMP CCC[C@H](COC)[NH+](CCC(=O)OCC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208951692 1035123733 /nfs/dbraw/zinc/12/37/33/1035123733.db2.gz BCPODZIIHBXAMG-FCHUYYIVSA-N 2 1 390.568 3.579 20 0 GHADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145996 1035124318 /nfs/dbraw/zinc/12/43/18/1035124318.db2.gz GAQRWZWJPOQLQO-HNAYVOBHSA-N 2 1 379.520 3.765 20 0 GHADMP C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145996 1035124323 /nfs/dbraw/zinc/12/43/23/1035124323.db2.gz GAQRWZWJPOQLQO-HNAYVOBHSA-N 2 1 379.520 3.765 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)CC2)c1 ZINC001232146644 1035125440 /nfs/dbraw/zinc/12/54/40/1035125440.db2.gz WWXUOQHCNXQCEJ-LJQANCHMSA-N 2 1 379.520 3.767 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232148485 1035126317 /nfs/dbraw/zinc/12/63/17/1035126317.db2.gz CRFVTBKUUVRWRQ-HXUWFJFHSA-N 2 1 391.531 3.861 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150143 1035129510 /nfs/dbraw/zinc/12/95/10/1035129510.db2.gz UBAMWYFDNUSPKZ-BEFAXECRSA-N 2 1 379.520 3.622 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232150143 1035129515 /nfs/dbraw/zinc/12/95/15/1035129515.db2.gz UBAMWYFDNUSPKZ-BEFAXECRSA-N 2 1 379.520 3.622 20 0 GHADMP CN(C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[NH3+] ZINC001161062898 1035129604 /nfs/dbraw/zinc/12/96/04/1035129604.db2.gz LAJBTABSSGOXMU-CUDHKJQZSA-N 2 1 393.522 3.507 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC[C@@H]3C2)cc1 ZINC001208956850 1035129964 /nfs/dbraw/zinc/12/99/64/1035129964.db2.gz JCCGOZDHPFSDGR-JIMJEQGWSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208956850 1035129965 /nfs/dbraw/zinc/12/99/65/1035129965.db2.gz JCCGOZDHPFSDGR-JIMJEQGWSA-N 2 1 389.587 3.962 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001208956850 1035129969 /nfs/dbraw/zinc/12/99/69/1035129969.db2.gz JCCGOZDHPFSDGR-JIMJEQGWSA-N 2 1 389.587 3.962 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1F ZINC001208959794 1035131167 /nfs/dbraw/zinc/13/11/67/1035131167.db2.gz TXUGZNJOUGXRFU-NHCUHLMSSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1)c1ccccc1F ZINC001208959794 1035131170 /nfs/dbraw/zinc/13/11/70/1035131170.db2.gz TXUGZNJOUGXRFU-NHCUHLMSSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1F ZINC001208959794 1035131173 /nfs/dbraw/zinc/13/11/73/1035131173.db2.gz TXUGZNJOUGXRFU-NHCUHLMSSA-N 2 1 395.522 3.542 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1F ZINC001208959794 1035131175 /nfs/dbraw/zinc/13/11/75/1035131175.db2.gz TXUGZNJOUGXRFU-NHCUHLMSSA-N 2 1 395.522 3.542 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209005568 1035146987 /nfs/dbraw/zinc/14/69/87/1035146987.db2.gz SZUSGVNWWAICIC-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001209005568 1035146990 /nfs/dbraw/zinc/14/69/90/1035146990.db2.gz SZUSGVNWWAICIC-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001209005568 1035146996 /nfs/dbraw/zinc/14/69/96/1035146996.db2.gz SZUSGVNWWAICIC-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001209005568 1035146998 /nfs/dbraw/zinc/14/69/98/1035146998.db2.gz SZUSGVNWWAICIC-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](CCc4ccc5c(c4)CCO5)CC3)C2)cc1 ZINC001209148160 1035193423 /nfs/dbraw/zinc/19/34/23/1035193423.db2.gz XTDFWFUAKWYDLY-UHFFFAOYSA-N 2 1 392.543 3.531 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCCc1ccncc1)CC2 ZINC001209184246 1035203370 /nfs/dbraw/zinc/20/33/70/1035203370.db2.gz JMOOMCSMHMHOFY-HXUWFJFHSA-N 2 1 385.577 3.831 20 0 GHADMP Cc1ccc(CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397582 1035221875 /nfs/dbraw/zinc/22/18/75/1035221875.db2.gz ZSXXSTYLOFRECF-MQSCRBSSSA-N 2 1 395.547 3.851 20 0 GHADMP Cc1ccc(CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccco2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397582 1035221881 /nfs/dbraw/zinc/22/18/81/1035221881.db2.gz ZSXXSTYLOFRECF-MQSCRBSSSA-N 2 1 395.547 3.851 20 0 GHADMP O=C(c1ccsc1)N1CCC2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)CC1 ZINC001209450839 1035277387 /nfs/dbraw/zinc/27/73/87/1035277387.db2.gz CUOWUGBFQKWVEB-UHFFFAOYSA-N 2 1 375.582 3.552 20 0 GHADMP CCOC(=O)c1c(C)[nH]c(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)c1C ZINC001209602260 1035326360 /nfs/dbraw/zinc/32/63/60/1035326360.db2.gz KQRJTHICQPSZIB-UHFFFAOYSA-N 2 1 383.536 3.905 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cnc1OC ZINC001209612895 1035331089 /nfs/dbraw/zinc/33/10/89/1035331089.db2.gz OATFQWLTEHHGOF-FQEVSTJZSA-N 2 1 385.508 3.568 20 0 GHADMP CC[NH+]1CCN(Cc2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)nc2)CC1 ZINC001241505348 1035598767 /nfs/dbraw/zinc/59/87/67/1035598767.db2.gz QXOLLTYLZACEDP-UHFFFAOYSA-N 2 1 376.548 3.508 20 0 GHADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c(F)cc1Br ZINC001248193805 1035622526 /nfs/dbraw/zinc/62/25/26/1035622526.db2.gz AYFBMPXDXGKHRA-AWEZNQCLSA-N 2 1 385.281 3.678 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(F)c1OC ZINC001248756616 1036116306 /nfs/dbraw/zinc/11/63/06/1036116306.db2.gz PREJRBIEKMJQLK-UHFFFAOYSA-N 2 1 384.495 3.941 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CCC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771916 1036127146 /nfs/dbraw/zinc/12/71/46/1036127146.db2.gz AFQSFCXBNWDRBI-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CCC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771916 1036127155 /nfs/dbraw/zinc/12/71/55/1036127155.db2.gz AFQSFCXBNWDRBI-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771916 1036127160 /nfs/dbraw/zinc/12/71/60/1036127160.db2.gz AFQSFCXBNWDRBI-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1cnn(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC001248771916 1036127168 /nfs/dbraw/zinc/12/71/68/1036127168.db2.gz AFQSFCXBNWDRBI-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP Clc1ccn2ncc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2n1 ZINC001248880462 1036218032 /nfs/dbraw/zinc/21/80/32/1036218032.db2.gz JTPZKBHVIKEWJU-RTBURBONSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccn2ncc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c2n1 ZINC001248880462 1036218043 /nfs/dbraw/zinc/21/80/43/1036218043.db2.gz JTPZKBHVIKEWJU-RTBURBONSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccn2ncc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2n1 ZINC001248880462 1036218060 /nfs/dbraw/zinc/21/80/60/1036218060.db2.gz JTPZKBHVIKEWJU-RTBURBONSA-N 2 1 395.938 3.727 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(-c3ccc(COC4CC[NH2+]CC4)cc3)cc2)CC1 ZINC001245408066 1036911287 /nfs/dbraw/zinc/91/12/87/1036911287.db2.gz OPRSOSYBBHYMTE-UHFFFAOYSA-N 2 1 379.548 3.545 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246017888 1037138381 /nfs/dbraw/zinc/13/83/81/1037138381.db2.gz BWLDDARUDBNJKP-VQIMIIECSA-N 2 1 388.930 3.966 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001246029886 1037147234 /nfs/dbraw/zinc/14/72/34/1037147234.db2.gz MVFZHQYOVDHIHA-QFIPXVFZSA-N 2 1 394.987 3.504 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246044501 1037156740 /nfs/dbraw/zinc/15/67/40/1037156740.db2.gz GNURSDALBLXUPK-UNMCSNQZSA-N 2 1 388.596 3.717 20 0 GHADMP C[N@@H+](Cc1ccccc1Oc1ccccc1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246045035 1037156993 /nfs/dbraw/zinc/15/69/93/1037156993.db2.gz HNBRJANRMBYTKS-XZOQPEGZSA-N 2 1 376.500 3.842 20 0 GHADMP C[N@H+](Cc1ccccc1Oc1ccccc1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246045035 1037157001 /nfs/dbraw/zinc/15/70/01/1037157001.db2.gz HNBRJANRMBYTKS-XZOQPEGZSA-N 2 1 376.500 3.842 20 0 GHADMP CCCCC[C@H](O)C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001246054040 1037164642 /nfs/dbraw/zinc/16/46/42/1037164642.db2.gz WDCHNJBABFAEAV-IBGZPJMESA-N 2 1 383.374 3.944 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246056546 1037170735 /nfs/dbraw/zinc/17/07/35/1037170735.db2.gz WFHFHHOKHBRTLM-QHCPKHFHSA-N 2 1 390.527 3.834 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246056546 1037170748 /nfs/dbraw/zinc/17/07/48/1037170748.db2.gz WFHFHHOKHBRTLM-QHCPKHFHSA-N 2 1 390.527 3.834 20 0 GHADMP O[C@@H](C[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246056288 1037170925 /nfs/dbraw/zinc/17/09/25/1037170925.db2.gz SPTFGZSRBOOZKW-FQEVSTJZSA-N 2 1 382.401 3.531 20 0 GHADMP O[C@@H](C[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001246056288 1037170940 /nfs/dbraw/zinc/17/09/40/1037170940.db2.gz SPTFGZSRBOOZKW-FQEVSTJZSA-N 2 1 382.401 3.531 20 0 GHADMP O[C@]1(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CCN(Cc2ccccc2)C1 ZINC001246067665 1037179937 /nfs/dbraw/zinc/17/99/37/1037179937.db2.gz UTFILEBZXDTAKV-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[N@@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH+](Cc2ccccc2)C1 ZINC001246067665 1037179953 /nfs/dbraw/zinc/17/99/53/1037179953.db2.gz UTFILEBZXDTAKV-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[NH+](Cc2ccccc2)C1 ZINC001246067665 1037179963 /nfs/dbraw/zinc/17/99/63/1037179963.db2.gz UTFILEBZXDTAKV-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC001246067665 1037179984 /nfs/dbraw/zinc/17/99/84/1037179984.db2.gz UTFILEBZXDTAKV-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP O[C@]1(C[NH+]2CCC[C@H]2c2c[nH]c3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC001246067665 1037180003 /nfs/dbraw/zinc/18/00/03/1037180003.db2.gz UTFILEBZXDTAKV-BJKOFHAPSA-N 2 1 375.516 3.942 20 0 GHADMP COc1ccc2c(c1)C1(C[C@H]2N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246122359 1037200517 /nfs/dbraw/zinc/20/05/17/1037200517.db2.gz AGVQAWAACXCDAS-FDDCHVKYSA-N 2 1 383.580 3.758 20 0 GHADMP COc1ccc2c(c1)C1(C[C@H]2N[C@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246122359 1037200538 /nfs/dbraw/zinc/20/05/38/1037200538.db2.gz AGVQAWAACXCDAS-FDDCHVKYSA-N 2 1 383.580 3.758 20 0 GHADMP C[NH2+]CCCN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246117007 1037200925 /nfs/dbraw/zinc/20/09/25/1037200925.db2.gz YLPXNMRPQDYQCP-UBFVSLLYSA-N 2 1 377.576 3.951 20 0 GHADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246117007 1037200940 /nfs/dbraw/zinc/20/09/40/1037200940.db2.gz YLPXNMRPQDYQCP-UBFVSLLYSA-N 3 1 377.576 3.951 20 0 GHADMP C[NH2+]CCC[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246117007 1037200957 /nfs/dbraw/zinc/20/09/57/1037200957.db2.gz YLPXNMRPQDYQCP-UBFVSLLYSA-N 3 1 377.576 3.951 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N[C@]45C[C@H]4C[NH2+]C5)C[C@@H]23)cc1 ZINC001246133956 1037209378 /nfs/dbraw/zinc/20/93/78/1037209378.db2.gz KUIWSECJZLFEKL-DQUFFZNGSA-N 2 1 387.571 3.703 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH2+]C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC001246186271 1037228151 /nfs/dbraw/zinc/22/81/51/1037228151.db2.gz YUBIUEWKHAPDPE-HNNXBMFYSA-N 2 1 397.357 3.738 20 0 GHADMP Ic1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246194699 1037231360 /nfs/dbraw/zinc/23/13/60/1037231360.db2.gz SXZKRIDHEJRJAM-MSOLQXFVSA-N 2 1 392.284 3.874 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn(C2CCC3(CC[NH2+]CC3)CC2)c2ccccc12 ZINC001246247787 1037252670 /nfs/dbraw/zinc/25/26/70/1037252670.db2.gz YOKJEPWWOHVFJZ-QFIPXVFZSA-N 2 1 383.536 3.559 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC[NH2+]1 ZINC001246353873 1037311486 /nfs/dbraw/zinc/31/14/86/1037311486.db2.gz VWPSSTGGTYMFHB-POAQFYNOSA-N 2 1 399.535 3.575 20 0 GHADMP Brc1ccc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246359016 1037317301 /nfs/dbraw/zinc/31/73/01/1037317301.db2.gz CAMPIQIVRKYXNP-YOFSQIOKSA-N 2 1 392.385 3.534 20 0 GHADMP C[NH2+]C1CCC([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC001246360576 1037320555 /nfs/dbraw/zinc/32/05/55/1037320555.db2.gz KQBSJPXVBIORQS-UHFFFAOYSA-N 2 1 394.401 3.781 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246362987 1037321394 /nfs/dbraw/zinc/32/13/94/1037321394.db2.gz VNTVZFDGZZSFCR-WOJBJXKFSA-N 2 1 394.401 3.781 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2)CC[NH2+]1 ZINC001246362170 1037322428 /nfs/dbraw/zinc/32/24/28/1037322428.db2.gz NXLLDXZMOBLSOG-MQSCRBSSSA-N 2 1 385.502 3.930 20 0 GHADMP C[C@@H]1CC([NH2+]CC2CCN(Cc3ccc(Br)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246363490 1037323079 /nfs/dbraw/zinc/32/30/79/1037323079.db2.gz XXRPDADDVRWCHH-HZPDHXFCSA-N 2 1 394.401 3.780 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)CC1 ZINC001246374776 1037332992 /nfs/dbraw/zinc/33/29/92/1037332992.db2.gz LTCCOBSRYMOYEL-MRXNPFEDSA-N 2 1 379.932 3.519 20 0 GHADMP COc1ccc(C2(N[C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC[NH2+]CC2)cc1 ZINC001246381353 1037340352 /nfs/dbraw/zinc/34/03/52/1037340352.db2.gz PWHVVLYMNXSFGS-QHCPKHFHSA-N 2 1 393.575 3.918 20 0 GHADMP Fc1ccc(CC2(C[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246384039 1037344936 /nfs/dbraw/zinc/34/49/36/1037344936.db2.gz LKGGYLYTOGPILL-PKTZIBPZSA-N 3 1 381.539 3.821 20 0 GHADMP CC[C@@H]1CC([NH2+]Cc2ccc3nnc(-c4ccc(F)cc4)n3c2)C[C@@H](CC)[NH2+]1 ZINC001246393190 1037353459 /nfs/dbraw/zinc/35/34/59/1037353459.db2.gz WGDCQMVGWQGMCL-RTBURBONSA-N 2 1 381.499 3.934 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+][C@H]2CCN(Cc3cccc(F)c3)C2)CC[NH2+]1 ZINC001246398193 1037358785 /nfs/dbraw/zinc/35/87/85/1037358785.db2.gz VDBAWZIIJMTNFT-FUPPJEDESA-N 2 1 385.502 3.930 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246421541 1037378547 /nfs/dbraw/zinc/37/85/47/1037378547.db2.gz IKEHZEDDOCMIEA-RHSMWYFYSA-N 2 1 384.442 3.606 20 0 GHADMP FC(F)(F)c1ccccc1C1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246452267 1037411889 /nfs/dbraw/zinc/41/18/89/1037411889.db2.gz RAPPXPBBUZNFKT-INIZCTEOSA-N 2 1 381.486 3.796 20 0 GHADMP FC(F)(F)c1ccccc1C1(N[C@H]2CCC3(C2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001246452267 1037411906 /nfs/dbraw/zinc/41/19/06/1037411906.db2.gz RAPPXPBBUZNFKT-INIZCTEOSA-N 2 1 381.486 3.796 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)C[C@H](CC)[NH2+]1 ZINC001246478530 1037426629 /nfs/dbraw/zinc/42/66/29/1037426629.db2.gz OSMQQAZXRIXLRB-PMOLBWCYSA-N 2 1 386.561 3.918 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+][C@H](C(=O)Nc2cc3ccccc3c(OC)c2)C(C)C)CC[NH2+]1 ZINC001246478750 1037426723 /nfs/dbraw/zinc/42/67/23/1037426723.db2.gz AYBUFNHECOHMOG-HMFYCAOWSA-N 2 1 383.536 3.932 20 0 GHADMP C[NH2+]C[C@@H]1CCC[N@H+](C2CCC(C(=O)OC)(c3ccc(Cl)cc3)CC2)C1 ZINC001246554434 1037480932 /nfs/dbraw/zinc/48/09/32/1037480932.db2.gz ZSUYQYVWCBJYQX-YQHFOJDRSA-N 2 1 378.944 3.625 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001246574210 1037486330 /nfs/dbraw/zinc/48/63/30/1037486330.db2.gz FMFPPHHVVPSRQC-HXUWFJFHSA-N 2 1 381.923 3.535 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001246589527 1037492559 /nfs/dbraw/zinc/49/25/59/1037492559.db2.gz PBFOWZIOBDOFJW-UHFFFAOYSA-N 3 1 377.576 3.686 20 0 GHADMP Brc1ccc(C2CCC([N@H+]3CCOC4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246608447 1037502507 /nfs/dbraw/zinc/50/25/07/1037502507.db2.gz WZEAYTAILSMXOC-UHFFFAOYSA-N 2 1 393.369 3.930 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)CC2)cc1 ZINC001246608632 1037503945 /nfs/dbraw/zinc/50/39/45/1037503945.db2.gz IAMNMCDURHEHGB-HXUWFJFHSA-N 2 1 392.385 3.884 20 0 GHADMP C[C@@H](Cc1cccnc1)[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617720 1037506229 /nfs/dbraw/zinc/50/62/29/1037506229.db2.gz FWSMRRCHMCQMGI-REWPJTCUSA-N 2 1 379.548 3.816 20 0 GHADMP Clc1ccc(N2CCC([N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246623695 1037511287 /nfs/dbraw/zinc/51/12/87/1037511287.db2.gz MDCYESOEALEZSY-QFIPXVFZSA-N 2 1 381.951 3.998 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628402 1037516253 /nfs/dbraw/zinc/51/62/53/1037516253.db2.gz XMYIQDNQUKEHTN-UEQSERJNSA-N 2 1 397.607 3.805 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628402 1037516267 /nfs/dbraw/zinc/51/62/67/1037516267.db2.gz XMYIQDNQUKEHTN-UEQSERJNSA-N 2 1 397.607 3.805 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628402 1037516286 /nfs/dbraw/zinc/51/62/86/1037516286.db2.gz XMYIQDNQUKEHTN-UEQSERJNSA-N 3 1 397.607 3.805 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628402 1037516298 /nfs/dbraw/zinc/51/62/98/1037516298.db2.gz XMYIQDNQUKEHTN-UEQSERJNSA-N 2 1 397.607 3.805 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1[C@@H](COCc3ccccc3)CCC13CC[NH2+]CC3)C2 ZINC001246628402 1037516309 /nfs/dbraw/zinc/51/63/09/1037516309.db2.gz XMYIQDNQUKEHTN-UEQSERJNSA-N 2 1 397.607 3.805 20 0 GHADMP FC1(F)CC[NH2+]C[C@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246636074 1037520714 /nfs/dbraw/zinc/52/07/14/1037520714.db2.gz FABMRMSOSIWEBJ-UUKMXZOPSA-N 2 1 398.538 3.799 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1CN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001246659209 1037532173 /nfs/dbraw/zinc/53/21/73/1037532173.db2.gz WMWTWQJVTDFXNX-AFDCHOCNSA-N 3 1 393.497 3.656 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001246659209 1037532183 /nfs/dbraw/zinc/53/21/83/1037532183.db2.gz WMWTWQJVTDFXNX-AFDCHOCNSA-N 3 1 393.497 3.656 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001246659209 1037532187 /nfs/dbraw/zinc/53/21/87/1037532187.db2.gz WMWTWQJVTDFXNX-AFDCHOCNSA-N 3 1 393.497 3.656 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001246659209 1037532195 /nfs/dbraw/zinc/53/21/95/1037532195.db2.gz WMWTWQJVTDFXNX-AFDCHOCNSA-N 3 1 393.497 3.656 20 0 GHADMP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001246659209 1037532206 /nfs/dbraw/zinc/53/22/06/1037532206.db2.gz WMWTWQJVTDFXNX-AFDCHOCNSA-N 3 1 393.497 3.656 20 0 GHADMP COc1cccc2c1CC[C@H]([N@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)C2 ZINC001246674483 1037541235 /nfs/dbraw/zinc/54/12/35/1037541235.db2.gz UIGURAWIZPPZPR-OTNCWRBYSA-N 2 1 376.544 3.806 20 0 GHADMP C[C@H]1C[C@@H](N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001246676364 1037543623 /nfs/dbraw/zinc/54/36/23/1037543623.db2.gz ZKVTXVQHSDLGFG-BPUWIUIQSA-N 2 1 375.560 3.729 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CCO3)c1 ZINC001246719423 1037569845 /nfs/dbraw/zinc/56/98/45/1037569845.db2.gz MJEDHTAOTNWJAB-RUZDIDTESA-N 2 1 397.607 3.979 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)C[C@H](CC)[NH2+]1 ZINC001246722388 1037572610 /nfs/dbraw/zinc/57/26/10/1037572610.db2.gz NQFXQODGTXPDIA-HIUFNZKISA-N 2 1 389.609 3.985 20 0 GHADMP CC[C@@H]1[N@H+]([C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727755 1037576927 /nfs/dbraw/zinc/57/69/27/1037576927.db2.gz WDYLTUNNVKCPDV-SRYPRDQNSA-N 2 1 375.601 3.799 20 0 GHADMP CC[C@H]1CC([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246738795 1037583609 /nfs/dbraw/zinc/58/36/09/1037583609.db2.gz GPWZRZNBXQTAII-QRVLJTFESA-N 2 1 383.580 3.634 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CCC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246756111 1037595616 /nfs/dbraw/zinc/59/56/16/1037595616.db2.gz VNSHGXQFEVVZMP-UDJZJCJKSA-N 2 1 387.593 3.879 20 0 GHADMP CC[C@@H]1CC([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246757234 1037599941 /nfs/dbraw/zinc/59/99/41/1037599941.db2.gz BNRAJMPUBBUJLM-DZCCDHAISA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C[C@@H](CC)[NH2+]1 ZINC001246757234 1037599954 /nfs/dbraw/zinc/59/99/54/1037599954.db2.gz BNRAJMPUBBUJLM-DZCCDHAISA-N 2 1 387.568 3.641 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764186 1037607652 /nfs/dbraw/zinc/60/76/52/1037607652.db2.gz FQOYGAYWBLBCTM-XIDUCYGFSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764186 1037607679 /nfs/dbraw/zinc/60/76/79/1037607679.db2.gz FQOYGAYWBLBCTM-XIDUCYGFSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764186 1037607692 /nfs/dbraw/zinc/60/76/92/1037607692.db2.gz FQOYGAYWBLBCTM-XIDUCYGFSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764186 1037607703 /nfs/dbraw/zinc/60/77/03/1037607703.db2.gz FQOYGAYWBLBCTM-XIDUCYGFSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764186 1037607719 /nfs/dbraw/zinc/60/77/19/1037607719.db2.gz FQOYGAYWBLBCTM-XIDUCYGFSA-N 3 1 384.612 3.925 20 0 GHADMP Cc1cccc2c1CC[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246773952 1037615016 /nfs/dbraw/zinc/61/50/16/1037615016.db2.gz WWNFKPGAKIJHDH-NRFANRHFSA-N 2 1 378.564 3.987 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC3(CC[N@@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC001246806749 1037641060 /nfs/dbraw/zinc/64/10/60/1037641060.db2.gz HZISYLHZDDEGSG-GGAORHGYSA-N 2 1 379.523 3.888 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H](N2CC3(CC[N@H+]3Cc3ccccc3)C2)CC[NH2+]1 ZINC001246806749 1037641074 /nfs/dbraw/zinc/64/10/74/1037641074.db2.gz HZISYLHZDDEGSG-GGAORHGYSA-N 2 1 379.523 3.888 20 0 GHADMP c1ccc(C(c2ccccc2)[C@H]2CCCC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246810932 1037644509 /nfs/dbraw/zinc/64/45/09/1037644509.db2.gz BQPDDAAMUUKVCG-DHIUTWEWSA-N 2 1 375.560 3.767 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1Cc3ccccc3C3(CC[NH2+]CC3)C1)CC2 ZINC001246862698 1037683397 /nfs/dbraw/zinc/68/33/97/1037683397.db2.gz QWDLWWADEAEJCC-SWCONJRYSA-N 2 1 382.548 3.635 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCN([C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)C[C@H]3C2)cc1 ZINC001246894762 1037710854 /nfs/dbraw/zinc/71/08/54/1037710854.db2.gz PWXBHMMQSDDYTQ-ZYQDXHPFSA-N 2 1 375.560 3.934 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246914783 1037721418 /nfs/dbraw/zinc/72/14/18/1037721418.db2.gz CNBUHEUFURIDPH-IVAOSVALSA-N 2 1 376.516 3.890 20 0 GHADMP c1ccc(C2CCC([N@@H+](CCCN3CCOCC3)CC3CC[NH2+]CC3)CC2)cc1 ZINC001246940477 1037745885 /nfs/dbraw/zinc/74/58/85/1037745885.db2.gz FELJTROOKANQMV-UHFFFAOYSA-N 2 1 399.623 3.737 20 0 GHADMP C(C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCC2(CCCCC2)C1)N1CCOCC1 ZINC001246945714 1037749169 /nfs/dbraw/zinc/74/91/69/1037749169.db2.gz XMXGMFLSYZFNPA-JOCHJYFZSA-N 2 1 377.617 3.513 20 0 GHADMP O=C1C[C@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246945879 1037750472 /nfs/dbraw/zinc/75/04/72/1037750472.db2.gz YISHCYKRORHLFU-HSZRJFAPSA-N 2 1 395.522 3.571 20 0 GHADMP COc1cc(C[C@H](C)[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001246945654 1037751173 /nfs/dbraw/zinc/75/11/73/1037751173.db2.gz HRRWJWDHOJTCSO-INIZCTEOSA-N 2 1 378.557 3.744 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)C1 ZINC001246958763 1037774867 /nfs/dbraw/zinc/77/48/67/1037774867.db2.gz GTPKSCHJKOVKQJ-UWJYYQICSA-N 2 1 376.516 3.810 20 0 GHADMP COc1ccc(CN(C2CC[NH2+]CC2)[C@H]2CCC[N@H+](C3CCCC3)C2)cc1F ZINC001246958714 1037774974 /nfs/dbraw/zinc/77/49/74/1037774974.db2.gz GJKFKQSALNOADN-NRFANRHFSA-N 2 1 389.559 3.795 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001246961639 1037783056 /nfs/dbraw/zinc/78/30/56/1037783056.db2.gz HCSIMYLWKNLNFV-UHFFFAOYSA-N 3 1 389.559 3.701 20 0 GHADMP C([C@@H]1CCC[NH2+]C1)[N@@H+](C1CC1)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246977367 1037802435 /nfs/dbraw/zinc/80/24/35/1037802435.db2.gz ZAEFLFYYHAIJCV-LWEYNCJUSA-N 2 1 376.585 3.943 20 0 GHADMP C([C@H]1CCC[NH2+]C1)[N@@H+](C1CC1)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246977364 1037803046 /nfs/dbraw/zinc/80/30/46/1037803046.db2.gz ZAEFLFYYHAIJCV-JSOIOWGOSA-N 2 1 376.585 3.943 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246977916 1037803886 /nfs/dbraw/zinc/80/38/86/1037803886.db2.gz GGPKHNGAYCHNJY-WMZOPIPTSA-N 2 1 385.474 3.874 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]1 ZINC001246985584 1037812453 /nfs/dbraw/zinc/81/24/53/1037812453.db2.gz AKSOUNOYWWDVMW-REWPJTCUSA-N 2 1 375.560 3.924 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CCC3(CN(C(c4ccccc4)c4ccccc4)C3)C2)CC[NH2+]1 ZINC001246985584 1037812466 /nfs/dbraw/zinc/81/24/66/1037812466.db2.gz AKSOUNOYWWDVMW-REWPJTCUSA-N 2 1 375.560 3.924 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1-c1ccccc1 ZINC001246991447 1037815195 /nfs/dbraw/zinc/81/51/95/1037815195.db2.gz SVDUYFHETWDEEY-HTUJPFKRSA-N 2 1 396.560 3.841 20 0 GHADMP Brc1cnn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001462213369 1070088464 /nfs/dbraw/zinc/08/84/64/1070088464.db2.gz ACQIYMACVFXZKZ-PKOBYXMFSA-N 2 1 389.341 3.603 20 0 GHADMP Brc1cnn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001462213369 1070088479 /nfs/dbraw/zinc/08/84/79/1070088479.db2.gz ACQIYMACVFXZKZ-PKOBYXMFSA-N 2 1 389.341 3.603 20 0 GHADMP CCOc1ncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1C ZINC001232304685 1038053241 /nfs/dbraw/zinc/05/32/41/1038053241.db2.gz MIOKMKURLUDVLH-FQEVSTJZSA-N 2 1 399.535 3.637 20 0 GHADMP CCOc1ncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1C ZINC001232308041 1038058898 /nfs/dbraw/zinc/05/88/98/1038058898.db2.gz FEUKNFSCZWWSPN-UHFFFAOYSA-N 2 1 395.547 3.656 20 0 GHADMP c1[nH]c2nccnc2c1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001232548766 1038314768 /nfs/dbraw/zinc/31/47/68/1038314768.db2.gz HFTDFNDGRZLJFP-UHFFFAOYSA-N 2 1 375.520 3.788 20 0 GHADMP CSc1ccc(Cl)cc1C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001277688884 1038394626 /nfs/dbraw/zinc/39/46/26/1038394626.db2.gz OYACCNUOEGRNOA-FQEVSTJZSA-N 2 1 396.000 3.581 20 0 GHADMP CCCCOc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc1 ZINC001247905148 1038476533 /nfs/dbraw/zinc/47/65/33/1038476533.db2.gz LEVNLAKDVKCRNW-SFHVURJKSA-N 2 1 384.524 3.847 20 0 GHADMP Cc1ccc(C(F)(F)F)c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904797 1038476620 /nfs/dbraw/zinc/47/66/20/1038476620.db2.gz JPHIKUFRHRYLPK-CQSZACIVSA-N 2 1 394.441 3.995 20 0 GHADMP Cc1cc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc(C(F)(F)F)c1 ZINC001247906093 1038479345 /nfs/dbraw/zinc/47/93/45/1038479345.db2.gz UNIJIAJGVVUBET-AWEZNQCLSA-N 2 1 394.441 3.995 20 0 GHADMP Fc1cc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc(C(F)(F)F)c1 ZINC001247907739 1038479926 /nfs/dbraw/zinc/47/99/26/1038479926.db2.gz VUAMVCLJLAUQLJ-GFCCVEGCSA-N 2 1 398.404 3.826 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC001462310610 1070160925 /nfs/dbraw/zinc/16/09/25/1070160925.db2.gz CIGKPMYTGMOFSX-SJFMBGHLSA-N 2 1 382.504 3.858 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001462310610 1070160931 /nfs/dbraw/zinc/16/09/31/1070160931.db2.gz CIGKPMYTGMOFSX-SJFMBGHLSA-N 2 1 382.504 3.858 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233121311 1038908562 /nfs/dbraw/zinc/90/85/62/1038908562.db2.gz FVVUIMYPZSIOBN-QGZVFWFLSA-N 2 1 398.482 3.551 20 0 GHADMP C[N@H+](Cc1cc(Br)c[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233184120 1038956302 /nfs/dbraw/zinc/95/63/02/1038956302.db2.gz LRESJYZCYHBKCR-UHFFFAOYSA-N 2 1 390.325 3.646 20 0 GHADMP C[N@@H+](Cc1cc(Br)c[nH]c1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001233184120 1038956308 /nfs/dbraw/zinc/95/63/08/1038956308.db2.gz LRESJYZCYHBKCR-UHFFFAOYSA-N 2 1 390.325 3.646 20 0 GHADMP O=c1ccc2c(CN3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295343 1039085152 /nfs/dbraw/zinc/08/51/52/1039085152.db2.gz XMEDRZOZNWXTKL-AZUAARDMSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295343 1039085171 /nfs/dbraw/zinc/08/51/71/1039085171.db2.gz XMEDRZOZNWXTKL-AZUAARDMSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295343 1039085185 /nfs/dbraw/zinc/08/51/85/1039085185.db2.gz XMEDRZOZNWXTKL-AZUAARDMSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295343 1039085207 /nfs/dbraw/zinc/08/52/07/1039085207.db2.gz XMEDRZOZNWXTKL-AZUAARDMSA-N 2 1 389.499 3.600 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc(O)c2[nH]1 ZINC001233295343 1039085229 /nfs/dbraw/zinc/08/52/29/1039085229.db2.gz XMEDRZOZNWXTKL-AZUAARDMSA-N 2 1 389.499 3.600 20 0 GHADMP Clc1ncnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001233409382 1039258537 /nfs/dbraw/zinc/25/85/37/1039258537.db2.gz XDZACEXFHJZIDZ-UHFFFAOYSA-N 2 1 381.307 3.865 20 0 GHADMP COc1cccc([C@@H]2CCCC[N@@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001252929694 1039266749 /nfs/dbraw/zinc/26/67/49/1039266749.db2.gz IGIIWKCMMLNASJ-ZEQRLZLVSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@@H]2CCCC[N@H+]2C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC001252929694 1039266761 /nfs/dbraw/zinc/26/67/61/1039266761.db2.gz IGIIWKCMMLNASJ-ZEQRLZLVSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@@H]2CCCC[NH+]2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001252929694 1039266774 /nfs/dbraw/zinc/26/67/74/1039266774.db2.gz IGIIWKCMMLNASJ-ZEQRLZLVSA-N 2 1 380.532 3.859 20 0 GHADMP COc1cccc([C@@H]2CCCC[NH+]2C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001252929694 1039266779 /nfs/dbraw/zinc/26/67/79/1039266779.db2.gz IGIIWKCMMLNASJ-ZEQRLZLVSA-N 2 1 380.532 3.859 20 0 GHADMP O[C@]1(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001252935363 1039273247 /nfs/dbraw/zinc/27/32/47/1039273247.db2.gz ZXAUNWZWRQYZMB-VXKWHMMOSA-N 2 1 386.536 3.629 20 0 GHADMP O[C@]1(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001252935363 1039273251 /nfs/dbraw/zinc/27/32/51/1039273251.db2.gz ZXAUNWZWRQYZMB-VXKWHMMOSA-N 2 1 386.536 3.629 20 0 GHADMP O[C@]1(C[NH+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252935363 1039273255 /nfs/dbraw/zinc/27/32/55/1039273255.db2.gz ZXAUNWZWRQYZMB-VXKWHMMOSA-N 2 1 386.536 3.629 20 0 GHADMP O[C@]1(C[NH+]2CC[C@H](Sc3ccc(F)cc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252935363 1039273268 /nfs/dbraw/zinc/27/32/68/1039273268.db2.gz ZXAUNWZWRQYZMB-VXKWHMMOSA-N 2 1 386.536 3.629 20 0 GHADMP O[C@]1(C[NH2+]CCc2cccc(Cl)c2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252943503 1039287305 /nfs/dbraw/zinc/28/73/05/1039287305.db2.gz KZLVBPDILCQYEM-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@]1(C[NH2+]CCc2cccc(Cl)c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943503 1039287312 /nfs/dbraw/zinc/28/73/12/1039287312.db2.gz KZLVBPDILCQYEM-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCCc2cccc(C(F)(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001252945772 1039290000 /nfs/dbraw/zinc/29/00/00/1039290000.db2.gz HXOLCRWWDIRLIL-OAQYLSRUSA-N 2 1 392.465 3.865 20 0 GHADMP O[C@@]1(C[NH2+]CCCc2cccc(C(F)(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252945772 1039290010 /nfs/dbraw/zinc/29/00/10/1039290010.db2.gz HXOLCRWWDIRLIL-OAQYLSRUSA-N 2 1 392.465 3.865 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3ccc(F)cc3)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950054 1039293719 /nfs/dbraw/zinc/29/37/19/1039293719.db2.gz BRBWOKPJEYZGGC-XMMPIXPASA-N 2 1 382.523 3.765 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3ccc(F)cc3)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950054 1039293730 /nfs/dbraw/zinc/29/37/30/1039293730.db2.gz BRBWOKPJEYZGGC-XMMPIXPASA-N 2 1 382.523 3.765 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3cccc(F)c3)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252951319 1039295453 /nfs/dbraw/zinc/29/54/53/1039295453.db2.gz RHCGHLZECKCFPI-XMMPIXPASA-N 2 1 382.523 3.765 20 0 GHADMP O[C@@]1(C[NH2+]CC2(Cc3cccc(F)c3)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951319 1039295462 /nfs/dbraw/zinc/29/54/62/1039295462.db2.gz RHCGHLZECKCFPI-XMMPIXPASA-N 2 1 382.523 3.765 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3ccccc3Cl)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252954114 1039297838 /nfs/dbraw/zinc/29/78/38/1039297838.db2.gz QTWNQEXWJPJKRV-QHCPKHFHSA-N 2 1 384.951 3.889 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3ccccc3Cl)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252954114 1039297843 /nfs/dbraw/zinc/29/78/43/1039297843.db2.gz QTWNQEXWJPJKRV-QHCPKHFHSA-N 2 1 384.951 3.889 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC12CCCCC2 ZINC001252995053 1039324068 /nfs/dbraw/zinc/32/40/68/1039324068.db2.gz XHFFILIOWDDADX-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001253027357 1039360248 /nfs/dbraw/zinc/36/02/48/1039360248.db2.gz WOYFBEJDHTZQIN-URXFXBBRSA-N 2 1 390.612 3.877 20 0 GHADMP C[C@](O)(C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)c1ccccc1 ZINC001253102360 1039424618 /nfs/dbraw/zinc/42/46/18/1039424618.db2.gz ZVHHLTPRTYNIKF-QFIPXVFZSA-N 2 1 381.907 3.918 20 0 GHADMP Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1Br ZINC001278701966 1039463554 /nfs/dbraw/zinc/46/35/54/1039463554.db2.gz GXMQNRNXCKCILV-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001253842025 1039850124 /nfs/dbraw/zinc/85/01/24/1039850124.db2.gz GALGTUBPVFTDFR-BXXSPATCSA-N 2 1 380.532 3.520 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253999566 1039943812 /nfs/dbraw/zinc/94/38/12/1039943812.db2.gz GUBMASBYMYKZSI-SFTDATJTSA-N 2 1 390.568 3.554 20 0 GHADMP CC(C)Oc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001253999566 1039943815 /nfs/dbraw/zinc/94/38/15/1039943815.db2.gz GUBMASBYMYKZSI-SFTDATJTSA-N 2 1 390.568 3.554 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234394781 1039998875 /nfs/dbraw/zinc/99/88/75/1039998875.db2.gz BKNBEQDYWSAPHT-FCHUYYIVSA-N 2 1 386.584 3.603 20 0 GHADMP C[N@H+]1CCc2c(cccc2O[C@H]2CCCN(Cc3cnc(Cl)s3)C2)C1 ZINC001234422365 1040022704 /nfs/dbraw/zinc/02/27/04/1040022704.db2.gz IDHAXAVOXVFBEY-HNNXBMFYSA-N 2 1 377.941 3.828 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC001254369863 1040197363 /nfs/dbraw/zinc/19/73/63/1040197363.db2.gz WDJJKAQKJZNEOS-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC001254369863 1040197367 /nfs/dbraw/zinc/19/73/67/1040197367.db2.gz WDJJKAQKJZNEOS-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC001254369863 1040197371 /nfs/dbraw/zinc/19/73/71/1040197371.db2.gz WDJJKAQKJZNEOS-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H](CCc1ccccc1)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001254492482 1040276545 /nfs/dbraw/zinc/27/65/45/1040276545.db2.gz UXMBQSKJPIJDCJ-ZCNNSNEGSA-N 2 1 375.557 3.714 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(CC3CC3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254510732 1040290419 /nfs/dbraw/zinc/29/04/19/1040290419.db2.gz PZSKRXBXNPOIBL-IBGZPJMESA-N 2 1 379.589 3.878 20 0 GHADMP C[N@H+]1CCC[C@H](n2c3ccccc3c(CC[NH3+])c2CC(=O)OC(C)(C)C)CC1 ZINC001254513855 1040291273 /nfs/dbraw/zinc/29/12/73/1040291273.db2.gz GNVPHPMUGDOXER-KRWDZBQOSA-N 2 1 385.552 3.684 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519536 1040293386 /nfs/dbraw/zinc/29/33/86/1040293386.db2.gz JOLCHJFLNPNESB-ZCNNSNEGSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519536 1040293396 /nfs/dbraw/zinc/29/33/96/1040293396.db2.gz JOLCHJFLNPNESB-ZCNNSNEGSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519536 1040293412 /nfs/dbraw/zinc/29/34/12/1040293412.db2.gz JOLCHJFLNPNESB-ZCNNSNEGSA-N 2 1 379.589 3.830 20 0 GHADMP CN(C)c1ccc(-c2ccc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235014391 1040503501 /nfs/dbraw/zinc/50/35/01/1040503501.db2.gz GAGGUISHRCUICN-DEOSSOPVSA-N 2 1 379.548 3.622 20 0 GHADMP CN(C)c1ccc(-c2ccc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235014391 1040503519 /nfs/dbraw/zinc/50/35/19/1040503519.db2.gz GAGGUISHRCUICN-DEOSSOPVSA-N 2 1 379.548 3.622 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC[C@H]([NH+]3CCC([NH+]4CCC4)CC3)C2)CC1 ZINC001254752829 1040512979 /nfs/dbraw/zinc/51/29/79/1040512979.db2.gz IWQQELCJNWXQPN-IBGZPJMESA-N 2 1 377.573 3.726 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254754824 1040516368 /nfs/dbraw/zinc/51/63/68/1040516368.db2.gz NWIDBMZIBVFMDM-HSALFYBXSA-N 2 1 391.600 3.830 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001254754824 1040516381 /nfs/dbraw/zinc/51/63/81/1040516381.db2.gz NWIDBMZIBVFMDM-HSALFYBXSA-N 2 1 391.600 3.830 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001254757770 1040518549 /nfs/dbraw/zinc/51/85/49/1040518549.db2.gz CJHIAAIRRXCRAX-RTWAWAEBSA-N 2 1 399.579 3.888 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2ccnc2)c(Br)c1 ZINC001235038375 1040532333 /nfs/dbraw/zinc/53/23/33/1040532333.db2.gz IEOWEMIEHXFAEY-UHFFFAOYSA-N 2 1 379.346 3.799 20 0 GHADMP Cc1nnc(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccc(C)cc5)C[C@H]4C3)cc2)o1 ZINC001235050206 1040542061 /nfs/dbraw/zinc/54/20/61/1040542061.db2.gz UAJOWZXKRQLQQF-ZRZAMGCNSA-N 2 1 388.515 3.917 20 0 GHADMP Cc1nnc(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccc(C)cc5)C[C@H]4C3)cc2)o1 ZINC001235050206 1040542080 /nfs/dbraw/zinc/54/20/80/1040542080.db2.gz UAJOWZXKRQLQQF-ZRZAMGCNSA-N 2 1 388.515 3.917 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccc(C)cc5)C[C@H]4C3)cc2)o1 ZINC001235050206 1040542098 /nfs/dbraw/zinc/54/20/98/1040542098.db2.gz UAJOWZXKRQLQQF-ZRZAMGCNSA-N 2 1 388.515 3.917 20 0 GHADMP Cc1nnc(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccc(C)cc5)C[C@H]4C3)cc2)o1 ZINC001235050206 1040542106 /nfs/dbraw/zinc/54/21/06/1040542106.db2.gz UAJOWZXKRQLQQF-ZRZAMGCNSA-N 2 1 388.515 3.917 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001235094536 1040585159 /nfs/dbraw/zinc/58/51/59/1040585159.db2.gz ZOWVHBRBAACAES-UHFFFAOYSA-N 2 1 394.515 3.628 20 0 GHADMP [NH3+]C1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001254848029 1040592162 /nfs/dbraw/zinc/59/21/62/1040592162.db2.gz MIJZVSOUIYPWLG-IBGZPJMESA-N 2 1 381.486 3.526 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2CC4CCN(CC4)C2)CC3)c1 ZINC001254855810 1040601485 /nfs/dbraw/zinc/60/14/85/1040601485.db2.gz ANKHPRHDIOWYCZ-HSZRJFAPSA-N 2 1 397.607 3.858 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCCC23CC[NH2+]CC3)s1 ZINC001235141694 1040636597 /nfs/dbraw/zinc/63/65/97/1040636597.db2.gz WEMYOCSWLZOHOE-UHFFFAOYSA-N 2 1 384.471 3.885 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001254885994 1040637720 /nfs/dbraw/zinc/63/77/20/1040637720.db2.gz HZVWEWFPODFHBI-YUMYIRISSA-N 2 1 399.579 3.744 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1OC ZINC001235151912 1040643069 /nfs/dbraw/zinc/64/30/69/1040643069.db2.gz JPBBEXURVXMJMR-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235154939 1040647531 /nfs/dbraw/zinc/64/75/31/1040647531.db2.gz BRQVCUYYZOYHTG-INIZCTEOSA-N 2 1 385.321 3.951 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(Br)c1OC ZINC001235157980 1040651763 /nfs/dbraw/zinc/65/17/63/1040651763.db2.gz SVUBOHVCGJPLSJ-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP CC1(C)CCC(c2ccc(C[N@@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)cc2)CC1 ZINC001235194396 1040683612 /nfs/dbraw/zinc/68/36/12/1040683612.db2.gz UZDRFXPTQXQCHL-DEOSSOPVSA-N 2 1 386.580 3.951 20 0 GHADMP CC1(C)CCC(c2ccc(C[N@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)cc2)CC1 ZINC001235194396 1040683619 /nfs/dbraw/zinc/68/36/19/1040683619.db2.gz UZDRFXPTQXQCHL-DEOSSOPVSA-N 2 1 386.580 3.951 20 0 GHADMP [NH3+]Cc1ncc(-c2ccccc2)n1C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001254999460 1040721232 /nfs/dbraw/zinc/72/12/32/1040721232.db2.gz IWJSDBPJJDKIPS-FRIKZZABSA-N 2 1 388.515 3.613 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(F)cn1 ZINC001235316204 1040790493 /nfs/dbraw/zinc/79/04/93/1040790493.db2.gz JGEODUCBXBIJHA-UHFFFAOYSA-N 2 1 384.499 3.501 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@@H](C4C[NH2+]C4)C3)n2)cc1 ZINC001235341523 1040809940 /nfs/dbraw/zinc/80/99/40/1040809940.db2.gz PYDDRMYPTDMWCE-OAHLLOKOSA-N 2 1 377.410 3.689 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC001255125249 1040817730 /nfs/dbraw/zinc/81/77/30/1040817730.db2.gz UQWPSNXBQXQCHC-XQUALCHDSA-N 2 1 389.543 3.573 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](CCCc3cccc(C(F)(F)F)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235348568 1040823360 /nfs/dbraw/zinc/82/33/60/1040823360.db2.gz HDRSNVYHJVJFDC-ICSRJNTNSA-N 2 1 398.469 3.503 20 0 GHADMP COCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc2C1 ZINC001255135272 1040835128 /nfs/dbraw/zinc/83/51/28/1040835128.db2.gz IFEFAQIMDJDYME-JOZNFPNDSA-N 2 1 376.544 3.956 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](n2nc(COCC4CC4)c4c2C[NH2+]C4)C3)cc1 ZINC001255139063 1040842870 /nfs/dbraw/zinc/84/28/70/1040842870.db2.gz CNXWNJHHCYKXFU-WKCHPHFGSA-N 2 1 392.547 3.781 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255139328 1040845306 /nfs/dbraw/zinc/84/53/06/1040845306.db2.gz KMDPUQIZOYVHND-SMTRIPRVSA-N 2 1 387.527 3.778 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255139328 1040845309 /nfs/dbraw/zinc/84/53/09/1040845309.db2.gz KMDPUQIZOYVHND-SMTRIPRVSA-N 2 1 387.527 3.778 20 0 GHADMP O=C1Nc2ccccc2[C@@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255139328 1040845313 /nfs/dbraw/zinc/84/53/13/1040845313.db2.gz KMDPUQIZOYVHND-SMTRIPRVSA-N 2 1 387.527 3.778 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(C[N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1Cl ZINC001235366369 1040858309 /nfs/dbraw/zinc/85/83/09/1040858309.db2.gz DYAUCABGAYVZSN-LYOVBCGYSA-N 2 1 395.252 3.965 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1Cl ZINC001235366369 1040858325 /nfs/dbraw/zinc/85/83/25/1040858325.db2.gz DYAUCABGAYVZSN-LYOVBCGYSA-N 2 1 395.252 3.965 20 0 GHADMP c1ccc(-c2ccc3ccc(C[N@H+]4CC[C@@]56C[NH2+]C[C@@H](C[C@@H]5C4)O6)cc3n2)cc1 ZINC001235366740 1040858425 /nfs/dbraw/zinc/85/84/25/1040858425.db2.gz FPUCHOWQKXSMFM-TZBSWOFLSA-N 2 1 385.511 3.855 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC(Oc4cnccn4)CC2)C3)cc1 ZINC001255146460 1040861460 /nfs/dbraw/zinc/86/14/60/1040861460.db2.gz GYYXOWYINZAPPU-AERCQKQUSA-N 2 1 378.520 3.515 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1 ZINC001235368366 1040864402 /nfs/dbraw/zinc/86/44/02/1040864402.db2.gz MWIUVMKXBAQBDZ-WMTXJRDZSA-N 2 1 378.516 3.527 20 0 GHADMP FC(F)(F)c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1 ZINC001235370689 1040873444 /nfs/dbraw/zinc/87/34/44/1040873444.db2.gz WAWNQSUHEAHZCQ-SQWLQELKSA-N 2 1 394.359 3.677 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151795 1040874742 /nfs/dbraw/zinc/87/47/42/1040874742.db2.gz YGQVVNLSQVPNQQ-NXYDZRKXSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151795 1040874755 /nfs/dbraw/zinc/87/47/55/1040874755.db2.gz YGQVVNLSQVPNQQ-NXYDZRKXSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151795 1040874762 /nfs/dbraw/zinc/87/47/62/1040874762.db2.gz YGQVVNLSQVPNQQ-NXYDZRKXSA-N 2 1 390.527 3.954 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Cc2ccccc21 ZINC001255151795 1040874774 /nfs/dbraw/zinc/87/47/74/1040874774.db2.gz YGQVVNLSQVPNQQ-NXYDZRKXSA-N 2 1 390.527 3.954 20 0 GHADMP Brc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc2ccccc12 ZINC001235379723 1040899665 /nfs/dbraw/zinc/89/96/65/1040899665.db2.gz QHDKSWMWFHNFOQ-SQGPQFPESA-N 2 1 387.321 3.555 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC001255199857 1040903225 /nfs/dbraw/zinc/90/32/25/1040903225.db2.gz JRTJDRCSXFGASN-MIUGBVLSSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC001255199857 1040903227 /nfs/dbraw/zinc/90/32/27/1040903227.db2.gz JRTJDRCSXFGASN-MIUGBVLSSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)o2)cc1 ZINC001235401137 1040914477 /nfs/dbraw/zinc/91/44/77/1040914477.db2.gz FYVAODVBWQWJAD-IRLDBZIGSA-N 2 1 386.467 3.647 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@H]4F)o2)cc1 ZINC001235401137 1040914478 /nfs/dbraw/zinc/91/44/78/1040914478.db2.gz FYVAODVBWQWJAD-IRLDBZIGSA-N 2 1 386.467 3.647 20 0 GHADMP CCOC(=O)c1[nH]c2cc(C)ccc2c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235430925 1040932093 /nfs/dbraw/zinc/93/20/93/1040932093.db2.gz YNAAXIVFTLGHKY-ZWKOTPCHSA-N 2 1 383.536 3.865 20 0 GHADMP Cc1c(I)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432858 1040933450 /nfs/dbraw/zinc/93/34/50/1040933450.db2.gz WSVXBWSTTOGUIT-NVXWUHKLSA-N 2 1 398.332 3.811 20 0 GHADMP Cc1nc(CN2CCO[C@@H]3C[N@H+](C4CCC(C)(C)CC4)CC[C@@H]3C2)cs1 ZINC001255306195 1040942361 /nfs/dbraw/zinc/94/23/61/1040942361.db2.gz BAPSEBUHKIZZHX-YLJYHZDGSA-N 2 1 377.598 3.943 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348546 1040955225 /nfs/dbraw/zinc/95/52/25/1040955225.db2.gz COTIUJLOSSFSIC-XSDIEEQYSA-N 2 1 388.552 3.889 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc3c(s1)CC[NH2+]C3)CC2 ZINC001235484728 1040957427 /nfs/dbraw/zinc/95/74/27/1040957427.db2.gz ZZKXLULGZUUQQN-NRFANRHFSA-N 3 1 385.577 3.863 20 0 GHADMP c1c(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)c2cccc3c2n1CC[NH2+]C3 ZINC001235489835 1040959161 /nfs/dbraw/zinc/95/91/61/1040959161.db2.gz KOEMDJZKAXICBV-UHFFFAOYSA-N 2 1 378.564 3.585 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN(CC[C@H]4CCCC[NH2+]4)CC3)CC2)c1 ZINC001235500735 1040964041 /nfs/dbraw/zinc/96/40/41/1040964041.db2.gz AMEFPINTEBFCAB-JOCHJYFZSA-N 2 1 385.596 3.905 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380194 1040971061 /nfs/dbraw/zinc/97/10/61/1040971061.db2.gz INQCZXOBACRSFN-IBGZPJMESA-N 2 1 375.557 3.934 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380410 1040971554 /nfs/dbraw/zinc/97/15/54/1040971554.db2.gz JZLWCNZZYCJYJG-LNRXMEIDSA-N 2 1 399.579 3.886 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc4c(c2)C[NH2+]CC4)CC3)c1 ZINC001235526134 1040975376 /nfs/dbraw/zinc/97/53/76/1040975376.db2.gz MPWHZHHXVKEMKI-UHFFFAOYSA-N 3 1 381.589 3.882 20 0 GHADMP CC(C)(C)OC(=O)NCC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235527745 1040975997 /nfs/dbraw/zinc/97/59/97/1040975997.db2.gz WSAVUNWJFYKVLE-UHFFFAOYSA-N 2 1 379.570 3.561 20 0 GHADMP CCN(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255390766 1040978962 /nfs/dbraw/zinc/97/89/62/1040978962.db2.gz KRKUOABMVGCPHM-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391666 1040980848 /nfs/dbraw/zinc/98/08/48/1040980848.db2.gz BFVCYFLWTYFOKF-FYYLOGMGSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391666 1040980851 /nfs/dbraw/zinc/98/08/51/1040980851.db2.gz BFVCYFLWTYFOKF-FYYLOGMGSA-N 2 1 396.531 3.944 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255395407 1040981430 /nfs/dbraw/zinc/98/14/30/1040981430.db2.gz ACLDYOBDWIBOAM-NHCUHLMSSA-N 2 1 380.532 3.988 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001235551285 1040983184 /nfs/dbraw/zinc/98/31/84/1040983184.db2.gz HNXWRRNNNFOYOA-BHIYHBOVSA-N 2 1 399.476 3.715 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001235551285 1040983185 /nfs/dbraw/zinc/98/31/85/1040983185.db2.gz HNXWRRNNNFOYOA-BHIYHBOVSA-N 2 1 399.476 3.715 20 0 GHADMP Cc1noc([C@H]2C[C@@H]3CCN([C@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401075 1040988102 /nfs/dbraw/zinc/98/81/02/1040988102.db2.gz QXCOSPVQEZIKTE-FNAHDJPLSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@H]4CCC[N@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401075 1040988114 /nfs/dbraw/zinc/98/81/14/1040988114.db2.gz QXCOSPVQEZIKTE-FNAHDJPLSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1noc([C@H]2C[C@@H]3CC[NH+]([C@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@H]3O2)n1 ZINC001255401075 1040988115 /nfs/dbraw/zinc/98/81/15/1040988115.db2.gz QXCOSPVQEZIKTE-FNAHDJPLSA-N 2 1 396.535 3.585 20 0 GHADMP COC[C@H]1COCCC12CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255402637 1040990158 /nfs/dbraw/zinc/99/01/58/1040990158.db2.gz KUUIUKZZVUOWGQ-GOTSBHOMSA-N 2 1 386.580 3.806 20 0 GHADMP COC[C@H]1COCCC12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402637 1040990166 /nfs/dbraw/zinc/99/01/66/1040990166.db2.gz KUUIUKZZVUOWGQ-GOTSBHOMSA-N 2 1 386.580 3.806 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255403635 1040991155 /nfs/dbraw/zinc/99/11/55/1040991155.db2.gz STVCATSFPAHREC-QFIPXVFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255403635 1040991157 /nfs/dbraw/zinc/99/11/57/1040991157.db2.gz STVCATSFPAHREC-QFIPXVFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255403635 1040991159 /nfs/dbraw/zinc/99/11/59/1040991159.db2.gz STVCATSFPAHREC-QFIPXVFZSA-N 2 1 395.595 3.594 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255404380 1040991554 /nfs/dbraw/zinc/99/15/54/1040991554.db2.gz RWWAOJPZTWSJLL-DEOSSOPVSA-N 2 1 393.575 3.868 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255404380 1040991556 /nfs/dbraw/zinc/99/15/56/1040991556.db2.gz RWWAOJPZTWSJLL-DEOSSOPVSA-N 2 1 393.575 3.868 20 0 GHADMP O=C(NC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1)C1CCCC1 ZINC001255405445 1040992991 /nfs/dbraw/zinc/99/29/91/1040992991.db2.gz NLOYWDROUYHJGM-QHCPKHFHSA-N 2 1 383.580 3.812 20 0 GHADMP c1c2c(cccc2N2CC[NH2+]CC2)nn1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255406198 1040993143 /nfs/dbraw/zinc/99/31/43/1040993143.db2.gz QBDGJARIRZVGFK-NRFANRHFSA-N 2 1 389.547 3.673 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CC3(C1)CC[NH2+]CC3)C2)C1CCCC1 ZINC001235631041 1041062990 /nfs/dbraw/zinc/06/29/90/1041062990.db2.gz IJBYEDJHNVRSEB-JTHBVZDNSA-N 2 1 376.585 3.597 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255606798 1041161845 /nfs/dbraw/zinc/16/18/45/1041161845.db2.gz FWUMGRADYLTYQT-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255606798 1041161854 /nfs/dbraw/zinc/16/18/54/1041161854.db2.gz FWUMGRADYLTYQT-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255606798 1041161860 /nfs/dbraw/zinc/16/18/60/1041161860.db2.gz FWUMGRADYLTYQT-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255606798 1041161866 /nfs/dbraw/zinc/16/18/66/1041161866.db2.gz FWUMGRADYLTYQT-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662723 1041200309 /nfs/dbraw/zinc/20/03/09/1041200309.db2.gz RKLLDTYDBHTEEQ-XIBWBMNSSA-N 2 1 379.589 3.875 20 0 GHADMP CC1(N2CC[NH+](Cc3ccccc3OCc3ccccc3)CC2)CC[NH2+]CC1 ZINC001235815209 1041328121 /nfs/dbraw/zinc/32/81/21/1041328121.db2.gz JXWNORBKOPGUEY-UHFFFAOYSA-N 2 1 379.548 3.525 20 0 GHADMP COc1cccc(OC)c1CN1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001255922707 1041410122 /nfs/dbraw/zinc/41/01/22/1041410122.db2.gz PINUAXMUYIAHHK-IBGZPJMESA-N 2 1 389.584 3.522 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@H]2C1 ZINC001255958594 1041436842 /nfs/dbraw/zinc/43/68/42/1041436842.db2.gz DQAFTZJGKMBSEP-QFUCXCTJSA-N 2 1 396.579 3.788 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960022 1041437807 /nfs/dbraw/zinc/43/78/07/1041437807.db2.gz CPOWPHSMDKQJHB-IIBYNOLFSA-N 2 1 379.495 3.514 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C1CC[NH2+]CC1 ZINC001235936799 1041441983 /nfs/dbraw/zinc/44/19/83/1041441983.db2.gz FPRRLVNOARVZLX-UHFFFAOYSA-N 2 1 378.410 3.514 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001255964453 1041444989 /nfs/dbraw/zinc/44/49/89/1041444989.db2.gz YHRINMUIXDXXCP-QUCCMNQESA-N 2 1 380.527 3.740 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001255964453 1041445005 /nfs/dbraw/zinc/44/50/05/1041445005.db2.gz YHRINMUIXDXXCP-QUCCMNQESA-N 2 1 380.527 3.740 20 0 GHADMP C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(N4CC[NH+](C)CC4)nc3)cc12 ZINC001235976144 1041482308 /nfs/dbraw/zinc/48/23/08/1041482308.db2.gz XJZYELREBBBYAE-OAQYLSRUSA-N 2 1 389.547 3.618 20 0 GHADMP Cc1ncc(Br)cc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235981506 1041484196 /nfs/dbraw/zinc/48/41/96/1041484196.db2.gz WMJRJUKRHDAAGG-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1ncc(Br)cc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235981506 1041484199 /nfs/dbraw/zinc/48/41/99/1041484199.db2.gz WMJRJUKRHDAAGG-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)cc2)cc1 ZINC001236078172 1041524706 /nfs/dbraw/zinc/52/47/06/1041524706.db2.gz GFMMNKJZQRLAFB-DEOSSOPVSA-N 2 1 378.564 3.618 20 0 GHADMP CCC[N@@H+](Cc1cccc(N2CC[NH2+]CC2)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC001236089749 1041528333 /nfs/dbraw/zinc/52/83/33/1041528333.db2.gz XHXLRKGMLHZCCU-HXUWFJFHSA-N 2 1 394.563 3.644 20 0 GHADMP FC(F)(F)c1cccc(CN2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)c1 ZINC001236145510 1041567747 /nfs/dbraw/zinc/56/77/47/1041567747.db2.gz WIULUATZMXZOMS-UHFFFAOYSA-N 2 1 395.494 3.730 20 0 GHADMP COc1cc2cc(C3CC[NH+](CC4C[NH2+]C4)CC3)oc2c(Br)c1 ZINC001236157884 1041580920 /nfs/dbraw/zinc/58/09/20/1041580920.db2.gz MFEZMSJIQSZDHV-UHFFFAOYSA-N 2 1 379.298 3.603 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1N1CC[NH2+]CC1 ZINC001236235933 1041637850 /nfs/dbraw/zinc/63/78/50/1041637850.db2.gz HCTVGRXDKZUQAP-COPCDDAFSA-N 2 1 399.579 3.571 20 0 GHADMP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)nc1)Cc1ccc(Cl)cc1Cl ZINC001236264905 1041646435 /nfs/dbraw/zinc/64/64/35/1041646435.db2.gz FIJQUNCMUGQREM-UHFFFAOYSA-N 2 1 379.335 3.820 20 0 GHADMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)nc1)Cc1ccc(Cl)cc1Cl ZINC001236264905 1041646445 /nfs/dbraw/zinc/64/64/45/1041646445.db2.gz FIJQUNCMUGQREM-UHFFFAOYSA-N 2 1 379.335 3.820 20 0 GHADMP CCOC(=O)N1CCC([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC001256242953 1041671985 /nfs/dbraw/zinc/67/19/85/1041671985.db2.gz HHQIQMRLRLCOQR-UHFFFAOYSA-N 2 1 385.552 3.595 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001256285914 1041683881 /nfs/dbraw/zinc/68/38/81/1041683881.db2.gz OMTPCWOLAKEXDX-UHFFFAOYSA-N 2 1 393.959 3.989 20 0 GHADMP CC[N@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC001236409780 1041704722 /nfs/dbraw/zinc/70/47/22/1041704722.db2.gz WGDFWFGHLKHXIV-NSHDSACASA-N 2 1 381.236 3.779 20 0 GHADMP Cc1cc(F)cc(C[N@H+](Cc2cccc(N3CCOCC3)c2)C2CC[NH2+]CC2)c1 ZINC001236481867 1041734480 /nfs/dbraw/zinc/73/44/80/1041734480.db2.gz BITMOIPURSGUCL-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP Cc1cc(F)cc(C[N@@H+](Cc2cccc(N3CCOCC3)c2)C2CC[NH2+]CC2)c1 ZINC001236481867 1041734487 /nfs/dbraw/zinc/73/44/87/1041734487.db2.gz BITMOIPURSGUCL-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP C[N@H+]1CCC[C@H](CN(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001236490605 1041737438 /nfs/dbraw/zinc/73/74/38/1041737438.db2.gz HOSFEWVDBMKLGG-INIZCTEOSA-N 2 1 387.465 3.740 20 0 GHADMP COc1ccc(C[N@@H+](Cc2scc3c2OCCO3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544688 1041757591 /nfs/dbraw/zinc/75/75/91/1041757591.db2.gz IIVTYZMQCZKASZ-QAQDUYKDSA-N 2 1 388.533 3.800 20 0 GHADMP COC(=O)c1ccccc1C[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236544922 1041757740 /nfs/dbraw/zinc/75/77/40/1041757740.db2.gz WMLWFGNCUXWLOQ-MXVIHJGJSA-N 2 1 382.504 3.754 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(I)cc2)CC2CC2)CC1 ZINC001236553637 1041760237 /nfs/dbraw/zinc/76/02/37/1041760237.db2.gz ZYHZNPVALKMXHO-QAQDUYKDSA-N 2 1 384.305 3.773 20 0 GHADMP COc1ncc(Br)cc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236567086 1041764967 /nfs/dbraw/zinc/76/49/67/1041764967.db2.gz SQERXDIQSUUJIB-JCNLHEQBSA-N 2 1 382.346 3.867 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)cc(C)c1OCc1ccccc1 ZINC001236624339 1041789602 /nfs/dbraw/zinc/78/96/02/1041789602.db2.gz YVRXAQWFWOZNKC-XMMPIXPASA-N 2 1 393.575 3.880 20 0 GHADMP CCOC(=O)c1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001236656188 1041806877 /nfs/dbraw/zinc/80/68/77/1041806877.db2.gz MPRQBYOOZCLTIO-LEWJYISDSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001236656188 1041806881 /nfs/dbraw/zinc/80/68/81/1041806881.db2.gz MPRQBYOOZCLTIO-LEWJYISDSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001236656188 1041806883 /nfs/dbraw/zinc/80/68/83/1041806883.db2.gz MPRQBYOOZCLTIO-LEWJYISDSA-N 2 1 393.531 3.602 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cn2c(cccc2C)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700163 1041840945 /nfs/dbraw/zinc/84/09/45/1041840945.db2.gz JIIAYRMBFMQNJQ-XUTJKUGGSA-N 2 1 378.520 3.923 20 0 GHADMP COc1ccccc1C[N@H+](Cc1cc(F)c(O)c(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710159 1041846829 /nfs/dbraw/zinc/84/68/29/1041846829.db2.gz OVDYTSRXNBKRKN-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cc(F)c(O)c(F)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710159 1041846835 /nfs/dbraw/zinc/84/68/35/1041846835.db2.gz OVDYTSRXNBKRKN-QAQDUYKDSA-N 2 1 376.447 3.951 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cc(Cl)ncc1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711239 1041848651 /nfs/dbraw/zinc/84/86/51/1041848651.db2.gz OZVPVVMIFVEBBL-QAQDUYKDSA-N 2 1 375.900 3.721 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236723756 1041857523 /nfs/dbraw/zinc/85/75/23/1041857523.db2.gz YHGLNUAUWKXAKQ-YHBQERECSA-N 2 1 380.532 3.983 20 0 GHADMP c1cc2cccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)c2o1 ZINC001236733389 1041864348 /nfs/dbraw/zinc/86/43/48/1041864348.db2.gz UMKKDWXCMDGARV-IFMALSPDSA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2cccc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)c2o1 ZINC001236733389 1041864353 /nfs/dbraw/zinc/86/43/53/1041864353.db2.gz UMKKDWXCMDGARV-IFMALSPDSA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2cccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)c2o1 ZINC001236733389 1041864357 /nfs/dbraw/zinc/86/43/57/1041864357.db2.gz UMKKDWXCMDGARV-IFMALSPDSA-N 2 1 377.488 3.551 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cnnn2Cc2ccccc2)CC2CCCCC2)CC1 ZINC001236769449 1041881124 /nfs/dbraw/zinc/88/11/24/1041881124.db2.gz VQDOKCJKMXPXRX-HZCBDIJESA-N 2 1 381.568 3.979 20 0 GHADMP Brc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc2ccccc12 ZINC001462571634 1070377317 /nfs/dbraw/zinc/37/73/17/1070377317.db2.gz ATOXKAOYDIIVSN-SFHVURJKSA-N 2 1 389.337 3.945 20 0 GHADMP CCC(CC)[N@@H+](Cc1c(OC)cc(OC)cc1C(=O)OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791671 1041896659 /nfs/dbraw/zinc/89/66/59/1041896659.db2.gz YIXNCLIRAWUADP-JCNLHEQBSA-N 2 1 392.540 3.751 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@@H]12 ZINC001236832661 1041921202 /nfs/dbraw/zinc/92/12/02/1041921202.db2.gz WOZRVYQREDYIDX-CGTJXYLNSA-N 2 1 377.410 3.816 20 0 GHADMP Fc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1N1CCOCC1 ZINC001236957510 1041969336 /nfs/dbraw/zinc/96/93/36/1041969336.db2.gz IIUVISUMSCEIDR-FQEVSTJZSA-N 2 1 375.532 3.503 20 0 GHADMP Fc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1N1CCOCC1 ZINC001236957510 1041969337 /nfs/dbraw/zinc/96/93/37/1041969337.db2.gz IIUVISUMSCEIDR-FQEVSTJZSA-N 2 1 375.532 3.503 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@@H+]3CCC[C@@H](OCc4ccccc4)C3)ccc2F)CC1 ZINC001236974055 1041974516 /nfs/dbraw/zinc/97/45/16/1041974516.db2.gz QGOGRKZCISRNPP-JOCHJYFZSA-N 2 1 397.538 3.759 20 0 GHADMP C[NH+]1CCN(c2cc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)ccc2F)CC1 ZINC001236974055 1041974517 /nfs/dbraw/zinc/97/45/17/1041974517.db2.gz QGOGRKZCISRNPP-JOCHJYFZSA-N 2 1 397.538 3.759 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237069631 1042020284 /nfs/dbraw/zinc/02/02/84/1042020284.db2.gz QVCULDDJHDYJLI-ZJSXRUAMSA-N 2 1 380.532 3.726 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237069631 1042020290 /nfs/dbraw/zinc/02/02/90/1042020290.db2.gz QVCULDDJHDYJLI-ZJSXRUAMSA-N 2 1 380.532 3.726 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc(O)cc4ccccc43)C2)C1 ZINC001237069631 1042020296 /nfs/dbraw/zinc/02/02/96/1042020296.db2.gz QVCULDDJHDYJLI-ZJSXRUAMSA-N 2 1 380.532 3.726 20 0 GHADMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc3sc4ccccc4c3c2)CCC1=O ZINC001237201236 1042089991 /nfs/dbraw/zinc/08/99/91/1042089991.db2.gz WMAPMZQDUSAIJX-UHFFFAOYSA-N 2 1 381.545 3.650 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(COC(=O)CC(C)C)cocc3-4)C[C@@H]2C1 ZINC001237288070 1042125745 /nfs/dbraw/zinc/12/57/45/1042125745.db2.gz MFUCDOSPULWBSV-OALUTQOASA-N 2 1 384.520 3.857 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1cccc(Br)c1Br)CC2 ZINC001237356020 1042166369 /nfs/dbraw/zinc/16/63/69/1042166369.db2.gz FNUSPIVCMPQMTJ-ZDUSSCGKSA-N 2 1 388.147 3.915 20 0 GHADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001278087842 1042168339 /nfs/dbraw/zinc/16/83/39/1042168339.db2.gz STDOSUOSLVSMHJ-KCESLBEFSA-N 2 1 389.559 3.709 20 0 GHADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001278087842 1042168342 /nfs/dbraw/zinc/16/83/42/1042168342.db2.gz STDOSUOSLVSMHJ-KCESLBEFSA-N 2 1 389.559 3.709 20 0 GHADMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001278087842 1042168345 /nfs/dbraw/zinc/16/83/45/1042168345.db2.gz STDOSUOSLVSMHJ-KCESLBEFSA-N 2 1 389.559 3.709 20 0 GHADMP COc1c(C)cccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001237504147 1042240583 /nfs/dbraw/zinc/24/05/83/1042240583.db2.gz UBROBZFYDMKLRR-HXUWFJFHSA-N 2 1 384.520 3.852 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@@H]4CN(C(=O)OC(C)(C)C)[C@@H]4C3)cc21 ZINC001237888734 1042411341 /nfs/dbraw/zinc/41/13/41/1042411341.db2.gz DGIBRNQIWNFJAK-UYAOXDASSA-N 2 1 383.536 3.739 20 0 GHADMP c1ccc(C2CCOCC2)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001237899431 1042414860 /nfs/dbraw/zinc/41/48/60/1042414860.db2.gz CQRZZDHTDOBSQM-VWNXMTODSA-N 2 1 391.559 3.930 20 0 GHADMP c1ccc(C2CCOCC2)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001237899431 1042414861 /nfs/dbraw/zinc/41/48/61/1042414861.db2.gz CQRZZDHTDOBSQM-VWNXMTODSA-N 2 1 391.559 3.930 20 0 GHADMP c1ccc(C2CCOCC2)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001237899431 1042414864 /nfs/dbraw/zinc/41/48/64/1042414864.db2.gz CQRZZDHTDOBSQM-VWNXMTODSA-N 2 1 391.559 3.930 20 0 GHADMP c1ccc(C2CCOCC2)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001237899431 1042414865 /nfs/dbraw/zinc/41/48/65/1042414865.db2.gz CQRZZDHTDOBSQM-VWNXMTODSA-N 2 1 391.559 3.930 20 0 GHADMP c1ccc(C2CCOCC2)c(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001237902614 1042416655 /nfs/dbraw/zinc/41/66/55/1042416655.db2.gz PFLIRHRWCCYUDY-UKILVPOCSA-N 2 1 398.591 3.903 20 0 GHADMP c1ccc(C2CCOCC2)c(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001237902614 1042416660 /nfs/dbraw/zinc/41/66/60/1042416660.db2.gz PFLIRHRWCCYUDY-UKILVPOCSA-N 2 1 398.591 3.903 20 0 GHADMP c1ccc(C2CCOCC2)c(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001237902614 1042416663 /nfs/dbraw/zinc/41/66/63/1042416663.db2.gz PFLIRHRWCCYUDY-UKILVPOCSA-N 2 1 398.591 3.903 20 0 GHADMP c1ccc(C2CCOCC2)c(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c1 ZINC001237902614 1042416666 /nfs/dbraw/zinc/41/66/66/1042416666.db2.gz PFLIRHRWCCYUDY-UKILVPOCSA-N 2 1 398.591 3.903 20 0 GHADMP Cc1cc(I)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC001238143299 1042502740 /nfs/dbraw/zinc/50/27/40/1042502740.db2.gz YRSAGUNNKBIPTP-UHFFFAOYSA-N 2 1 398.332 3.826 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1O ZINC001238365776 1042571028 /nfs/dbraw/zinc/57/10/28/1042571028.db2.gz GOQMMVCAXJMGJF-RBUKOAKNSA-N 2 1 384.495 3.884 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1O ZINC001238365776 1042571032 /nfs/dbraw/zinc/57/10/32/1042571032.db2.gz GOQMMVCAXJMGJF-RBUKOAKNSA-N 2 1 384.495 3.884 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)c1O ZINC001238365776 1042571034 /nfs/dbraw/zinc/57/10/34/1042571034.db2.gz GOQMMVCAXJMGJF-RBUKOAKNSA-N 2 1 384.495 3.884 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cnc1F ZINC001238451904 1042600213 /nfs/dbraw/zinc/60/02/13/1042600213.db2.gz OZQVHYQFXWUEHN-UHFFFAOYSA-N 2 1 384.499 3.501 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cc(OC(C)C)ccc3C)CC2)C1 ZINC001238482414 1042613458 /nfs/dbraw/zinc/61/34/58/1042613458.db2.gz YBZRHURYBPVOAJ-LJQANCHMSA-N 2 1 388.552 3.632 20 0 GHADMP Clc1ccc(-c2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2)nc1 ZINC001238638164 1042666391 /nfs/dbraw/zinc/66/63/91/1042666391.db2.gz WDNZIXPCHGQJCC-UHFFFAOYSA-N 2 1 384.955 3.615 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001240477295 1042935282 /nfs/dbraw/zinc/93/52/82/1042935282.db2.gz MRANKXMTOVPVMX-DNQXCXABSA-N 2 1 380.532 3.972 20 0 GHADMP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001462674903 1070462680 /nfs/dbraw/zinc/46/26/80/1070462680.db2.gz ZXVLWBBFHAQCCS-OUUBHVDSSA-N 2 1 379.589 3.875 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001291472288 1043286744 /nfs/dbraw/zinc/28/67/44/1043286744.db2.gz OGRKIGFELXMDLL-ZCNNSNEGSA-N 2 1 392.636 3.829 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530914 1043463641 /nfs/dbraw/zinc/46/36/41/1043463641.db2.gz QIBQGROOJSHTSQ-NFBKMPQASA-N 2 1 378.564 3.941 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530914 1043463647 /nfs/dbraw/zinc/46/36/47/1043463647.db2.gz QIBQGROOJSHTSQ-NFBKMPQASA-N 2 1 378.564 3.941 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256533936 1043468690 /nfs/dbraw/zinc/46/86/90/1043468690.db2.gz OZCOTRDXFRYWDI-YKSBVNFPSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256533936 1043468705 /nfs/dbraw/zinc/46/87/05/1043468705.db2.gz OZCOTRDXFRYWDI-YKSBVNFPSA-N 2 1 393.575 3.999 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534393 1043469057 /nfs/dbraw/zinc/46/90/57/1043469057.db2.gz QSBHATVWAPRRHB-OYDLWJJNSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC001256534393 1043469072 /nfs/dbraw/zinc/46/90/72/1043469072.db2.gz QSBHATVWAPRRHB-OYDLWJJNSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3cccnc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534888 1043474135 /nfs/dbraw/zinc/47/41/35/1043474135.db2.gz AGQYHCVNTGEAOR-NZQKXSOJSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2(c3cccnc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256534888 1043474150 /nfs/dbraw/zinc/47/41/50/1043474150.db2.gz AGQYHCVNTGEAOR-NZQKXSOJSA-N 2 1 379.548 3.773 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCN(c3ccc(F)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535739 1043476806 /nfs/dbraw/zinc/47/68/06/1043476806.db2.gz COBMSUXTJHPEIP-DENIHFKCSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCN(c3ccc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535739 1043476816 /nfs/dbraw/zinc/47/68/16/1043476816.db2.gz COBMSUXTJHPEIP-DENIHFKCSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535739 1043476827 /nfs/dbraw/zinc/47/68/27/1043476827.db2.gz COBMSUXTJHPEIP-DENIHFKCSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535739 1043476838 /nfs/dbraw/zinc/47/68/38/1043476838.db2.gz COBMSUXTJHPEIP-DENIHFKCSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541683 1043494222 /nfs/dbraw/zinc/49/42/22/1043494222.db2.gz MPBPBUFEFCPZIU-PZJWPPBQSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256541683 1043494226 /nfs/dbraw/zinc/49/42/26/1043494226.db2.gz MPBPBUFEFCPZIU-PZJWPPBQSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541683 1043494231 /nfs/dbraw/zinc/49/42/31/1043494231.db2.gz MPBPBUFEFCPZIU-PZJWPPBQSA-N 2 1 399.579 3.982 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[NH+]1Cc1ccccc1 ZINC001256541683 1043494238 /nfs/dbraw/zinc/49/42/38/1043494238.db2.gz MPBPBUFEFCPZIU-PZJWPPBQSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541794 1043494345 /nfs/dbraw/zinc/49/43/45/1043494345.db2.gz JCFDYNSDDSBWEX-ICDZXHCJSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541794 1043494347 /nfs/dbraw/zinc/49/43/47/1043494347.db2.gz JCFDYNSDDSBWEX-ICDZXHCJSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)C1 ZINC001256541794 1043494352 /nfs/dbraw/zinc/49/43/52/1043494352.db2.gz JCFDYNSDDSBWEX-ICDZXHCJSA-N 2 1 399.623 3.862 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548850 1043511641 /nfs/dbraw/zinc/51/16/41/1043511641.db2.gz ZAHXCLASKZXYCE-UTYWTXRGSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256548850 1043511648 /nfs/dbraw/zinc/51/16/48/1043511648.db2.gz ZAHXCLASKZXYCE-UTYWTXRGSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548850 1043511658 /nfs/dbraw/zinc/51/16/58/1043511658.db2.gz ZAHXCLASKZXYCE-UTYWTXRGSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548850 1043511666 /nfs/dbraw/zinc/51/16/66/1043511666.db2.gz ZAHXCLASKZXYCE-UTYWTXRGSA-N 2 1 395.572 3.696 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550868 1043513453 /nfs/dbraw/zinc/51/34/53/1043513453.db2.gz NXZKEVVKHGRVBP-FYYLOGMGSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550868 1043513460 /nfs/dbraw/zinc/51/34/60/1043513460.db2.gz NXZKEVVKHGRVBP-FYYLOGMGSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550868 1043513472 /nfs/dbraw/zinc/51/34/72/1043513472.db2.gz NXZKEVVKHGRVBP-FYYLOGMGSA-N 2 1 378.564 3.955 20 0 GHADMP Cc1cccnc1N1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256550868 1043513485 /nfs/dbraw/zinc/51/34/85/1043513485.db2.gz NXZKEVVKHGRVBP-FYYLOGMGSA-N 2 1 378.564 3.955 20 0 GHADMP C[C@H]1C[C@@H](n2nc(C(F)(F)F)c3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256552942 1043518217 /nfs/dbraw/zinc/51/82/17/1043518217.db2.gz DIFTZPMBSVGZLQ-HOCLYGCPSA-N 2 1 378.442 3.773 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555333 1043525033 /nfs/dbraw/zinc/52/50/33/1043525033.db2.gz UDBULTVVPQVZJS-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555333 1043525040 /nfs/dbraw/zinc/52/50/40/1043525040.db2.gz UDBULTVVPQVZJS-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H](N2CCC([NH+](C)C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256556449 1043526018 /nfs/dbraw/zinc/52/60/18/1043526018.db2.gz ZFMPXLZQMZFBRP-RDPSFJRHSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@@H](N2CCC([N@H+](C)C3CCOCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256556449 1043526030 /nfs/dbraw/zinc/52/60/30/1043526030.db2.gz ZFMPXLZQMZFBRP-RDPSFJRHSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@@H](N2CCC([N@@H+](C)C3CCOCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256556449 1043526040 /nfs/dbraw/zinc/52/60/40/1043526040.db2.gz ZFMPXLZQMZFBRP-RDPSFJRHSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559537 1043535393 /nfs/dbraw/zinc/53/53/93/1043535393.db2.gz LSFIVWQIQPXMEW-PMXSJFBMSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256559537 1043535397 /nfs/dbraw/zinc/53/53/97/1043535397.db2.gz LSFIVWQIQPXMEW-PMXSJFBMSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559537 1043535403 /nfs/dbraw/zinc/53/54/03/1043535403.db2.gz LSFIVWQIQPXMEW-PMXSJFBMSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559537 1043535412 /nfs/dbraw/zinc/53/54/12/1043535412.db2.gz LSFIVWQIQPXMEW-PMXSJFBMSA-N 2 1 385.552 3.591 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256584033 1043553760 /nfs/dbraw/zinc/55/37/60/1043553760.db2.gz BHBNSFUZEYPNSN-HZCBDIJESA-N 2 1 396.554 3.957 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC001256602513 1043566319 /nfs/dbraw/zinc/56/63/19/1043566319.db2.gz YVNWTAIGSPJZHJ-YHBQERECSA-N 2 1 391.559 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256605055 1043567852 /nfs/dbraw/zinc/56/78/52/1043567852.db2.gz ABTCDBWBTMKLBS-NHCUHLMSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256605055 1043567861 /nfs/dbraw/zinc/56/78/61/1043567861.db2.gz ABTCDBWBTMKLBS-NHCUHLMSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256605055 1043567869 /nfs/dbraw/zinc/56/78/69/1043567869.db2.gz ABTCDBWBTMKLBS-NHCUHLMSSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC001256606420 1043570980 /nfs/dbraw/zinc/57/09/80/1043570980.db2.gz VHWIPQJMJUSIIM-HXUWFJFHSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256606420 1043570994 /nfs/dbraw/zinc/57/09/94/1043570994.db2.gz VHWIPQJMJUSIIM-HXUWFJFHSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256606420 1043571003 /nfs/dbraw/zinc/57/10/03/1043571003.db2.gz VHWIPQJMJUSIIM-HXUWFJFHSA-N 2 1 399.579 3.840 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256680654 1043618086 /nfs/dbraw/zinc/61/80/86/1043618086.db2.gz ABVMHZHTRUAEMI-IKVFXUPASA-N 3 1 389.559 3.541 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256687155 1043621948 /nfs/dbraw/zinc/62/19/48/1043621948.db2.gz OLJKYWPMDQPSSQ-XPPIMPSXSA-N 3 1 385.596 3.520 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256687155 1043621978 /nfs/dbraw/zinc/62/19/78/1043621978.db2.gz OLJKYWPMDQPSSQ-XPPIMPSXSA-N 3 1 385.596 3.520 20 0 GHADMP c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256690925 1043624292 /nfs/dbraw/zinc/62/42/92/1043624292.db2.gz LAFPLSOCQCGOGQ-ABZZFDDBSA-N 2 1 384.564 3.669 20 0 GHADMP c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256690927 1043625321 /nfs/dbraw/zinc/62/53/21/1043625321.db2.gz LAFPLSOCQCGOGQ-SMDVXAHOSA-N 2 1 384.564 3.669 20 0 GHADMP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256690928 1043625600 /nfs/dbraw/zinc/62/56/00/1043625600.db2.gz LAFPLSOCQCGOGQ-UBEQRZCFSA-N 2 1 384.564 3.669 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC001292260607 1043653183 /nfs/dbraw/zinc/65/31/83/1043653183.db2.gz DBHMFLMRZVPKIS-PKTZIBPZSA-N 2 1 379.548 3.769 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815423 1043671741 /nfs/dbraw/zinc/67/17/41/1043671741.db2.gz SEFOVSOTOIDWIK-OLKYXYMISA-N 2 1 384.564 3.730 20 0 GHADMP c1ccc([C@H]2C[C@H]([N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815423 1043671746 /nfs/dbraw/zinc/67/17/46/1043671746.db2.gz SEFOVSOTOIDWIK-OLKYXYMISA-N 2 1 384.564 3.730 20 0 GHADMP c1ccc([C@H]2C[C@H]([N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815423 1043671758 /nfs/dbraw/zinc/67/17/58/1043671758.db2.gz SEFOVSOTOIDWIK-OLKYXYMISA-N 2 1 384.564 3.730 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001256835169 1043685646 /nfs/dbraw/zinc/68/56/46/1043685646.db2.gz HRNAOPREHWUNLX-INIZCTEOSA-N 2 1 388.353 3.811 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001256884517 1043721765 /nfs/dbraw/zinc/72/17/65/1043721765.db2.gz XTTBHVUHGFIDLW-BJWYYQGGSA-N 2 1 382.474 3.674 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(c3ncccc3C(F)(F)F)CC1)C2 ZINC001256884517 1043721769 /nfs/dbraw/zinc/72/17/69/1043721769.db2.gz XTTBHVUHGFIDLW-BJWYYQGGSA-N 2 1 382.474 3.674 20 0 GHADMP CCCCc1ccc(C[NH+]2CCC3(CC[N@H+](COCCOC)C3)CC2)s1 ZINC001278988194 1043824335 /nfs/dbraw/zinc/82/43/35/1043824335.db2.gz BJFURSVZMVCTEZ-UHFFFAOYSA-N 2 1 380.598 3.999 20 0 GHADMP CCCCc1ccc(C[NH+]2CCC3(CC[N@@H+](COCCOC)C3)CC2)s1 ZINC001278988194 1043824349 /nfs/dbraw/zinc/82/43/49/1043824349.db2.gz BJFURSVZMVCTEZ-UHFFFAOYSA-N 2 1 380.598 3.999 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257068108 1043829301 /nfs/dbraw/zinc/82/93/01/1043829301.db2.gz KZPSNPDUHNIHQF-VQIMIIECSA-N 2 1 398.469 3.991 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001257071000 1043831871 /nfs/dbraw/zinc/83/18/71/1043831871.db2.gz ZGGNATYHDGJEPT-APWZRJJASA-N 2 1 398.469 3.991 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(CC(=O)OCc3ccccc3)cc2)CC1 ZINC001257207970 1043937663 /nfs/dbraw/zinc/93/76/63/1043937663.db2.gz BNUUEXRXFORLLH-UHFFFAOYSA-N 2 1 380.532 3.935 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001293235737 1044070562 /nfs/dbraw/zinc/07/05/62/1044070562.db2.gz FZIDNVVRSHGKNF-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001293235737 1044070575 /nfs/dbraw/zinc/07/05/75/1044070575.db2.gz FZIDNVVRSHGKNF-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001293235737 1044070590 /nfs/dbraw/zinc/07/05/90/1044070590.db2.gz FZIDNVVRSHGKNF-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC001293236801 1044071941 /nfs/dbraw/zinc/07/19/41/1044071941.db2.gz OIBLASPIBRXNJF-QFBILLFUSA-N 2 1 398.378 3.804 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC001293236801 1044071956 /nfs/dbraw/zinc/07/19/56/1044071956.db2.gz OIBLASPIBRXNJF-QFBILLFUSA-N 2 1 398.378 3.804 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH+]1CCC([NH+]3CCC3)CC1)C2 ZINC001257818433 1044200479 /nfs/dbraw/zinc/20/04/79/1044200479.db2.gz GEUPDXJGUWNTLX-DENIHFKCSA-N 2 1 377.573 3.726 20 0 GHADMP COC(=O)c1ccc(C[N@H+](C2CCC3(COC3)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257903926 1044253870 /nfs/dbraw/zinc/25/38/70/1044253870.db2.gz LDPUFQWQIKDCJE-MXVIHJGJSA-N 2 1 386.536 3.504 20 0 GHADMP Cc1c[nH+]c(CC[NH3+])n1[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001257971987 1044292358 /nfs/dbraw/zinc/29/23/58/1044292358.db2.gz FKHHHOXBLBKITC-PMACEKPBSA-N 2 1 398.551 3.876 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001258013219 1044339134 /nfs/dbraw/zinc/33/91/34/1044339134.db2.gz NDNMVBPTBPUXFK-KNQAVFIVSA-N 2 1 397.579 3.778 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CC1 ZINC001258014934 1044342694 /nfs/dbraw/zinc/34/26/94/1044342694.db2.gz NOJVITJZFNNIIW-CTNGQTDRSA-N 2 1 378.564 3.779 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)nn1)CC2 ZINC001279075894 1044401018 /nfs/dbraw/zinc/40/10/18/1044401018.db2.gz FRSNKZZJSBRWIL-UHFFFAOYSA-N 2 1 376.854 3.760 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)nn1)CC2 ZINC001279075894 1044401020 /nfs/dbraw/zinc/40/10/20/1044401020.db2.gz FRSNKZZJSBRWIL-UHFFFAOYSA-N 2 1 376.854 3.760 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CCCC(C)(C)C3)O2)CC1 ZINC001258287364 1044492873 /nfs/dbraw/zinc/49/28/73/1044492873.db2.gz QZXMCIPHZMQCGF-GXRSIYKFSA-N 2 1 378.601 3.936 20 0 GHADMP CCOC(=O)CC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001258490977 1044579563 /nfs/dbraw/zinc/57/95/63/1044579563.db2.gz DVCZNQXCSLGNDI-ZWKOTPCHSA-N 2 1 394.581 3.535 20 0 GHADMP O=C1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001258573617 1044649475 /nfs/dbraw/zinc/64/94/75/1044649475.db2.gz CCBRJQUTUDEKEC-GOTSBHOMSA-N 2 1 383.580 3.812 20 0 GHADMP O=C1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)CCN1Cc1ccccc1 ZINC001258573617 1044649486 /nfs/dbraw/zinc/64/94/86/1044649486.db2.gz CCBRJQUTUDEKEC-GOTSBHOMSA-N 2 1 383.580 3.812 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC001294967575 1044856970 /nfs/dbraw/zinc/85/69/70/1044856970.db2.gz UGLQEJAQGRXQBC-KTDPBYDISA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001294967575 1044856992 /nfs/dbraw/zinc/85/69/92/1044856992.db2.gz UGLQEJAQGRXQBC-KTDPBYDISA-N 2 1 383.580 3.522 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001294967575 1044857014 /nfs/dbraw/zinc/85/70/14/1044857014.db2.gz UGLQEJAQGRXQBC-KTDPBYDISA-N 2 1 383.580 3.522 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001258909523 1044864182 /nfs/dbraw/zinc/86/41/82/1044864182.db2.gz GILVOHMMGRRDIC-IBGZPJMESA-N 2 1 397.604 3.599 20 0 GHADMP CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)(c2ccccc2)CC1 ZINC001295337622 1044983853 /nfs/dbraw/zinc/98/38/53/1044983853.db2.gz CGNLEZWZAJHHLW-OAQYLSRUSA-N 2 1 385.596 3.524 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001302038071 1046790684 /nfs/dbraw/zinc/79/06/84/1046790684.db2.gz ZYZGVEXQDPCYTB-QPPBQGQZSA-N 2 1 391.559 3.771 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001302057128 1046795968 /nfs/dbraw/zinc/79/59/68/1046795968.db2.gz DPQUCMMIQXTZIL-NRFANRHFSA-N 2 1 387.543 3.657 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001302057128 1046795972 /nfs/dbraw/zinc/79/59/72/1046795972.db2.gz DPQUCMMIQXTZIL-NRFANRHFSA-N 2 1 387.543 3.657 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC[N@H+]1C1CCCC1 ZINC001303541120 1047420783 /nfs/dbraw/zinc/42/07/83/1047420783.db2.gz WSGQOGQKZBYXCA-UYAOXDASSA-N 2 1 387.543 3.513 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC[NH+]1C1CCCC1 ZINC001303541120 1047420785 /nfs/dbraw/zinc/42/07/85/1047420785.db2.gz WSGQOGQKZBYXCA-UYAOXDASSA-N 2 1 387.543 3.513 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC[NH+]1C1CCCC1 ZINC001303541120 1047420787 /nfs/dbraw/zinc/42/07/87/1047420787.db2.gz WSGQOGQKZBYXCA-UYAOXDASSA-N 2 1 387.543 3.513 20 0 GHADMP COc1c(Br)cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1Br ZINC000700508325 1047592194 /nfs/dbraw/zinc/59/21/94/1047592194.db2.gz SHPHIEBXJLXEHJ-SNVBAGLBSA-N 2 1 394.151 3.650 20 0 GHADMP COC1CCC(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4scnc4C)C3)C2)CC1 ZINC001279266098 1047751625 /nfs/dbraw/zinc/75/16/25/1047751625.db2.gz RWLBVKMZWPQKLQ-GZNCHQMQSA-N 2 1 377.598 3.945 20 0 GHADMP COC1CCC(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4scnc4C)C3)C2)CC1 ZINC001279266098 1047751632 /nfs/dbraw/zinc/75/16/32/1047751632.db2.gz RWLBVKMZWPQKLQ-GZNCHQMQSA-N 2 1 377.598 3.945 20 0 GHADMP COC1CCC(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4scnc4C)C3)C2)CC1 ZINC001279266098 1047751636 /nfs/dbraw/zinc/75/16/36/1047751636.db2.gz RWLBVKMZWPQKLQ-GZNCHQMQSA-N 2 1 377.598 3.945 20 0 GHADMP COC1CCC(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4scnc4C)C3)C2)CC1 ZINC001279266098 1047751640 /nfs/dbraw/zinc/75/16/40/1047751640.db2.gz RWLBVKMZWPQKLQ-GZNCHQMQSA-N 2 1 377.598 3.945 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(I)c3F)(C1)CCC2 ZINC001279369679 1047783761 /nfs/dbraw/zinc/78/37/61/1047783761.db2.gz RCMHOYDUVJFKSQ-JKSUJKDBSA-N 2 1 388.268 3.585 20 0 GHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2sccc2Cl)CC3)n(C)n1 ZINC001279372472 1047784347 /nfs/dbraw/zinc/78/43/47/1047784347.db2.gz RAWSGHWULVJMQP-UHFFFAOYSA-N 2 1 378.973 3.932 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)ccc1Br ZINC001279393444 1047792243 /nfs/dbraw/zinc/79/22/43/1047792243.db2.gz VMJRMEQWVFQCAK-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP Fc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279399674 1047793913 /nfs/dbraw/zinc/79/39/13/1047793913.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1cc(Cl)ccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279399674 1047793919 /nfs/dbraw/zinc/79/39/19/1047793919.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1cc(Cl)ccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279399674 1047793923 /nfs/dbraw/zinc/79/39/23/1047793923.db2.gz FGYUYPVSHVAPBQ-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279439158 1047806684 /nfs/dbraw/zinc/80/66/84/1047806684.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1c(Cl)cccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279439158 1047806690 /nfs/dbraw/zinc/80/66/90/1047806690.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Fc1c(Cl)cccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001279439158 1047806698 /nfs/dbraw/zinc/80/66/98/1047806698.db2.gz KMXDNGSFMCVLDI-CALCHBBNSA-N 2 1 376.907 3.520 20 0 GHADMP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279445878 1047811092 /nfs/dbraw/zinc/81/10/92/1047811092.db2.gz RJXTUAWQXQFUIN-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279445878 1047811098 /nfs/dbraw/zinc/81/10/98/1047811098.db2.gz RJXTUAWQXQFUIN-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1ccc(F)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279445878 1047811100 /nfs/dbraw/zinc/81/11/00/1047811100.db2.gz RJXTUAWQXQFUIN-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP O=c1cccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccc(Cl)o4)CC3)C2)[nH]1 ZINC001279481959 1047820405 /nfs/dbraw/zinc/82/04/05/1047820405.db2.gz CQNQWSRAVYIDEO-UHFFFAOYSA-N 2 1 375.900 3.912 20 0 GHADMP O=c1cccc(C[N@@H+]2CCCC3(CC[NH+](Cc4ccc(Cl)o4)CC3)C2)[nH]1 ZINC001279481959 1047820416 /nfs/dbraw/zinc/82/04/16/1047820416.db2.gz CQNQWSRAVYIDEO-UHFFFAOYSA-N 2 1 375.900 3.912 20 0 GHADMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)(C)Sc1ccc(Cl)cc1)C2 ZINC001279593259 1047858617 /nfs/dbraw/zinc/85/86/17/1047858617.db2.gz DFHMZEXOXHPZFW-AEFFLSMTSA-N 2 1 382.017 3.778 20 0 GHADMP Cc1ccc(Br)c(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001279664140 1047903586 /nfs/dbraw/zinc/90/35/86/1047903586.db2.gz UFRXFKYYVDMMIT-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC001305386815 1048008307 /nfs/dbraw/zinc/00/83/07/1048008307.db2.gz DSXBCAWHIPLTEU-UHFFFAOYSA-N 2 1 375.538 3.783 20 0 GHADMP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=S)NCCC[NH+](CC)CC ZINC001279993791 1048031214 /nfs/dbraw/zinc/03/12/14/1048031214.db2.gz QWIZSIHTLFHUGB-SLFFLAALSA-N 2 1 382.662 3.568 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C)c(Cl)cc3F)C[C@H]2CC1 ZINC001280116252 1048089569 /nfs/dbraw/zinc/08/95/69/1048089569.db2.gz WFDUTNBRFRGQCA-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C)c(Cl)cc3F)C[C@H]2CC1 ZINC001280116252 1048089584 /nfs/dbraw/zinc/08/95/84/1048089584.db2.gz WFDUTNBRFRGQCA-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cc(C)c(Cl)cc3F)C[C@H]2CC1 ZINC001280116252 1048089595 /nfs/dbraw/zinc/08/95/95/1048089595.db2.gz WFDUTNBRFRGQCA-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(C)c3Cl)C[C@H]2CC1 ZINC001280224053 1048134235 /nfs/dbraw/zinc/13/42/35/1048134235.db2.gz PUPNJKCWRCQBNO-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(C)c3Cl)C[C@H]2CC1 ZINC001280224053 1048134240 /nfs/dbraw/zinc/13/42/40/1048134240.db2.gz PUPNJKCWRCQBNO-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)cc(C)c3Cl)C[C@H]2CC1 ZINC001280224053 1048134249 /nfs/dbraw/zinc/13/42/49/1048134249.db2.gz PUPNJKCWRCQBNO-CALCHBBNSA-N 2 1 384.923 3.552 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CC[C@H](c3ccccc3)O2)CC1)Cc1ccccc1 ZINC001307459216 1049295466 /nfs/dbraw/zinc/29/54/66/1049295466.db2.gz QJNSGPAVEOSFNH-JWQCQUIFSA-N 2 1 393.575 3.656 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001307495876 1049334350 /nfs/dbraw/zinc/33/43/50/1049334350.db2.gz HKPRXCCAKFAKRN-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001307495876 1049334372 /nfs/dbraw/zinc/33/43/72/1049334372.db2.gz HKPRXCCAKFAKRN-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001307495876 1049334385 /nfs/dbraw/zinc/33/43/85/1049334385.db2.gz HKPRXCCAKFAKRN-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP CC[NH+](CC)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001290037430 1049716802 /nfs/dbraw/zinc/71/68/02/1049716802.db2.gz BBELITMKALIEGN-XZOQPEGZSA-N 2 1 385.596 3.773 20 0 GHADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC001308037418 1049787804 /nfs/dbraw/zinc/78/78/04/1049787804.db2.gz BWJVZVLXTGDVDP-UHFFFAOYSA-N 2 1 376.526 3.540 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC001308037418 1049787810 /nfs/dbraw/zinc/78/78/10/1049787810.db2.gz BWJVZVLXTGDVDP-UHFFFAOYSA-N 2 1 376.526 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001308087202 1049834953 /nfs/dbraw/zinc/83/49/53/1049834953.db2.gz SWXUCKNJNXRTCS-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001308087202 1049834961 /nfs/dbraw/zinc/83/49/61/1049834961.db2.gz SWXUCKNJNXRTCS-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001308087202 1049834968 /nfs/dbraw/zinc/83/49/68/1049834968.db2.gz SWXUCKNJNXRTCS-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308169553 1049897834 /nfs/dbraw/zinc/89/78/34/1049897834.db2.gz CLQUTXIIPDVCQU-ZRZAMGCNSA-N 2 1 388.552 3.671 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308169553 1049897847 /nfs/dbraw/zinc/89/78/47/1049897847.db2.gz CLQUTXIIPDVCQU-ZRZAMGCNSA-N 2 1 388.552 3.671 20 0 GHADMP COc1cccc(OC)c1OCCCC[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308169553 1049897854 /nfs/dbraw/zinc/89/78/54/1049897854.db2.gz CLQUTXIIPDVCQU-ZRZAMGCNSA-N 2 1 388.552 3.671 20 0 GHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001308224040 1049918500 /nfs/dbraw/zinc/91/85/00/1049918500.db2.gz DBHZLWJAPJKQIO-LSDHHAIUSA-N 2 1 395.510 3.932 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001308224040 1049918503 /nfs/dbraw/zinc/91/85/03/1049918503.db2.gz DBHZLWJAPJKQIO-LSDHHAIUSA-N 2 1 395.510 3.932 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001290890852 1049945383 /nfs/dbraw/zinc/94/53/83/1049945383.db2.gz HKQLUPVMOZMFLT-MBSDFSHPSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001290890852 1049945385 /nfs/dbraw/zinc/94/53/85/1049945385.db2.gz HKQLUPVMOZMFLT-MBSDFSHPSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001290890852 1049945387 /nfs/dbraw/zinc/94/53/87/1049945387.db2.gz HKQLUPVMOZMFLT-MBSDFSHPSA-N 2 1 389.559 3.747 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cnn(C4CCC4)c3)cc2)C[C@H]1C ZINC001308353346 1049956425 /nfs/dbraw/zinc/95/64/25/1049956425.db2.gz NUZIGWHIQAFMCL-BGYRXZFFSA-N 2 1 396.579 3.907 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001308367496 1049959434 /nfs/dbraw/zinc/95/94/34/1049959434.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 3 1 395.591 3.501 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001308367496 1049959436 /nfs/dbraw/zinc/95/94/36/1049959436.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 3 1 395.591 3.501 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001308367496 1049959437 /nfs/dbraw/zinc/95/94/37/1049959437.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 3 1 395.591 3.501 20 0 GHADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001308367496 1049959438 /nfs/dbraw/zinc/95/94/38/1049959438.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 2 1 395.591 3.501 20 0 GHADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001308367496 1049959443 /nfs/dbraw/zinc/95/94/43/1049959443.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 2 1 395.591 3.501 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)CNCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001308367496 1049959446 /nfs/dbraw/zinc/95/94/46/1049959446.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 2 1 395.591 3.501 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001308367496 1049959449 /nfs/dbraw/zinc/95/94/49/1049959449.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 2 1 395.591 3.501 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001308367496 1049959453 /nfs/dbraw/zinc/95/94/53/1049959453.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 2 1 395.591 3.501 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001308367496 1049959456 /nfs/dbraw/zinc/95/94/56/1049959456.db2.gz UEZFMFDZBDNRJG-XMMPIXPASA-N 2 1 395.591 3.501 20 0 GHADMP COc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2c1 ZINC001308368394 1049960244 /nfs/dbraw/zinc/96/02/44/1049960244.db2.gz VIQZTNKXUJWGSO-QHCPKHFHSA-N 2 1 376.500 3.705 20 0 GHADMP Brc1ccc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2c1 ZINC001308920376 1050171704 /nfs/dbraw/zinc/17/17/04/1050171704.db2.gz LYJBEDYTYXYRSZ-HXUWFJFHSA-N 2 1 389.337 3.945 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001308976967 1050238121 /nfs/dbraw/zinc/23/81/21/1050238121.db2.gz FVYGQYRBQFRPGI-OBKDMQGPSA-N 2 1 379.589 3.684 20 0 GHADMP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(-c4ccccc4)nc4ccccc43)C2)CC1 ZINC001327992361 1050349040 /nfs/dbraw/zinc/34/90/40/1050349040.db2.gz CVLPBWUPTZPTJY-IBGZPJMESA-N 2 1 387.531 3.877 20 0 GHADMP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(-c4ccccc4)nc4ccccc43)C2)CC1 ZINC001327992361 1050349054 /nfs/dbraw/zinc/34/90/54/1050349054.db2.gz CVLPBWUPTZPTJY-IBGZPJMESA-N 2 1 387.531 3.877 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001328524378 1050534905 /nfs/dbraw/zinc/53/49/05/1050534905.db2.gz IRUWRRNEOORFQG-MOPGFXCFSA-N 2 1 397.485 3.646 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC001328593190 1050553538 /nfs/dbraw/zinc/55/35/38/1050553538.db2.gz DZQHVAUBCLSPHU-OAQYLSRUSA-N 2 1 381.495 3.773 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC001328593190 1050553552 /nfs/dbraw/zinc/55/35/52/1050553552.db2.gz DZQHVAUBCLSPHU-OAQYLSRUSA-N 2 1 381.495 3.773 20 0 GHADMP CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C[NH+]3CCN(C)CC3)c2)c1 ZINC001333056895 1051648381 /nfs/dbraw/zinc/64/83/81/1051648381.db2.gz VIPYCNXPMXBRMQ-UHFFFAOYSA-N 2 1 379.552 3.694 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc1OCc1cccnc1 ZINC001334355311 1051933289 /nfs/dbraw/zinc/93/32/89/1051933289.db2.gz BRVVRKKECPQPSA-FKBYEOEOSA-N 2 1 395.547 3.831 20 0 GHADMP CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nc1-c1ccccc1 ZINC001334723884 1051968577 /nfs/dbraw/zinc/96/85/77/1051968577.db2.gz JEWYAITZWKGSER-IPMKNSEASA-N 2 1 385.581 3.721 20 0 GHADMP CCn1c(=S)n(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)nc1-c1ccccc1 ZINC001334723884 1051968579 /nfs/dbraw/zinc/96/85/79/1051968579.db2.gz JEWYAITZWKGSER-IPMKNSEASA-N 2 1 385.581 3.721 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c(Cl)nc21 ZINC001335581556 1052134788 /nfs/dbraw/zinc/13/47/88/1052134788.db2.gz FDLWNMROBMUQBC-QILLFSRXSA-N 2 1 375.948 3.828 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[NH+]3CCCCC3)cc2)C1 ZINC001311493929 1052201164 /nfs/dbraw/zinc/20/11/64/1052201164.db2.gz CRPLLXMNSJVBRC-HXUWFJFHSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC001311499115 1052204980 /nfs/dbraw/zinc/20/49/80/1052204980.db2.gz WZVBULIGXOFHPZ-UEVCKROQSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001311499115 1052204991 /nfs/dbraw/zinc/20/49/91/1052204991.db2.gz WZVBULIGXOFHPZ-UEVCKROQSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001311499115 1052205000 /nfs/dbraw/zinc/20/50/00/1052205000.db2.gz WZVBULIGXOFHPZ-UEVCKROQSA-N 2 1 398.595 3.877 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)c1ccccc1 ZINC001311576343 1052258479 /nfs/dbraw/zinc/25/84/79/1052258479.db2.gz MYLHTJUJDPGSLK-OEMFJLHTSA-N 2 1 398.595 3.587 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC001336702856 1052310112 /nfs/dbraw/zinc/31/01/12/1052310112.db2.gz HNUBFTJPFWFSBJ-FQEVSTJZSA-N 2 1 385.895 3.501 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCc2c[nH+]cn2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC001336703553 1052310177 /nfs/dbraw/zinc/31/01/77/1052310177.db2.gz LBKHKEJEERRBQE-GOSISDBHSA-N 2 1 376.460 3.609 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1OCc1ccncc1 ZINC001336888388 1052358526 /nfs/dbraw/zinc/35/85/26/1052358526.db2.gz JPQPFIPGPBWBHF-BHDDXSALSA-N 2 1 395.547 3.831 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC001312108718 1052577163 /nfs/dbraw/zinc/57/71/63/1052577163.db2.gz VZVNKYUOWDFSMA-QFIPXVFZSA-N 2 1 388.600 3.564 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001312142077 1052595251 /nfs/dbraw/zinc/59/52/51/1052595251.db2.gz YFRLHUDJGSAGFU-FQEVSTJZSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)cc1)[NH+]1CCOCC1 ZINC001343423639 1053764086 /nfs/dbraw/zinc/76/40/86/1053764086.db2.gz MESWZNLVTSOUHE-RXVVDRJESA-N 2 1 385.552 3.578 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001319460616 1055260994 /nfs/dbraw/zinc/26/09/94/1055260994.db2.gz ASTIEPCDOGTJNY-OFNKIYASSA-N 2 1 383.580 3.937 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001319460616 1055261006 /nfs/dbraw/zinc/26/10/06/1055261006.db2.gz ASTIEPCDOGTJNY-OFNKIYASSA-N 2 1 383.580 3.937 20 0 GHADMP C[N@H+](CC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC001319679762 1055394938 /nfs/dbraw/zinc/39/49/38/1055394938.db2.gz DTNKGSHAXXSTGX-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP C[N@@H+](CC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC001319679762 1055394947 /nfs/dbraw/zinc/39/49/47/1055394947.db2.gz DTNKGSHAXXSTGX-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP C[NH+](CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC001319679762 1055394958 /nfs/dbraw/zinc/39/49/58/1055394958.db2.gz DTNKGSHAXXSTGX-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP C[NH+](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Cc1ccccc1 ZINC001319679762 1055394963 /nfs/dbraw/zinc/39/49/63/1055394963.db2.gz DTNKGSHAXXSTGX-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001319995419 1055584648 /nfs/dbraw/zinc/58/46/48/1055584648.db2.gz OSCYNHSHDRRKDC-OFNKIYASSA-N 2 1 383.580 3.937 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001319995419 1055584658 /nfs/dbraw/zinc/58/46/58/1055584658.db2.gz OSCYNHSHDRRKDC-OFNKIYASSA-N 2 1 383.580 3.937 20 0 GHADMP CC(C)(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001321475706 1056281654 /nfs/dbraw/zinc/28/16/54/1056281654.db2.gz PGRXOUBRYNKLRP-UHFFFAOYSA-N 2 1 389.540 3.587 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OCc1ccccc1 ZINC001474758245 1056282186 /nfs/dbraw/zinc/28/21/86/1056282186.db2.gz ZXSOXEOQPBWUGC-VABKMULXSA-N 2 1 393.531 3.556 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000848546154 1057166835 /nfs/dbraw/zinc/16/68/35/1057166835.db2.gz TZTIZRJTEMHDTL-ZEQRLZLVSA-N 2 1 380.532 3.620 20 0 GHADMP CCN(Cc1ccc(/C=C/C(=O)OC)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848889044 1057398839 /nfs/dbraw/zinc/39/88/39/1057398839.db2.gz GLYWRKQRTFSGMO-SGWGQVFISA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@@H+](Cc1ccc(/C=C/C(=O)OC)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848889044 1057398846 /nfs/dbraw/zinc/39/88/46/1057398846.db2.gz GLYWRKQRTFSGMO-SGWGQVFISA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@H+](Cc1ccc(/C=C/C(=O)OC)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848889044 1057398850 /nfs/dbraw/zinc/39/88/50/1057398850.db2.gz GLYWRKQRTFSGMO-SGWGQVFISA-N 2 1 382.504 3.810 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001326227294 1057437837 /nfs/dbraw/zinc/43/78/37/1057437837.db2.gz JRRDPZOSRYGKII-RBBKRZOGSA-N 2 1 383.580 3.588 20 0 GHADMP COc1ccc(NC(=[NH2+])NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000848989547 1057492860 /nfs/dbraw/zinc/49/28/60/1057492860.db2.gz WSPCFXMPBQMWMB-HKUYNNGSSA-N 2 1 396.535 3.941 20 0 GHADMP COc1ccccc1[C@@H](CNC(=[NH2+])NCc1ccc(C)cc1)[NH+]1CCCCC1 ZINC000849062623 1057573303 /nfs/dbraw/zinc/57/33/03/1057573303.db2.gz XCPWYIHFEKGLPI-OAQYLSRUSA-N 2 1 380.536 3.845 20 0 GHADMP COc1ccccc1[C@@H](CNC(=[NH2+])NCCc1ccccc1)[NH+]1CCCCC1 ZINC000849062425 1057573447 /nfs/dbraw/zinc/57/34/47/1057573447.db2.gz IPZDDEPXMOUSOE-OAQYLSRUSA-N 2 1 380.536 3.579 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)cc1 ZINC001441370706 1058770548 /nfs/dbraw/zinc/77/05/48/1058770548.db2.gz KAMUMHWQHHORMU-WZONZLPQSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001441370706 1058770565 /nfs/dbraw/zinc/77/05/65/1058770565.db2.gz KAMUMHWQHHORMU-WZONZLPQSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001441370706 1058770579 /nfs/dbraw/zinc/77/05/79/1058770579.db2.gz KAMUMHWQHHORMU-WZONZLPQSA-N 2 1 389.559 3.890 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001339050635 1058939943 /nfs/dbraw/zinc/93/99/43/1058939943.db2.gz XWMITHIRLIQQTH-PMACEKPBSA-N 2 1 388.600 3.927 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001443289726 1059098449 /nfs/dbraw/zinc/09/84/49/1059098449.db2.gz JCRSCAHQSBMHIO-PKTZIBPZSA-N 2 1 397.538 3.580 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001446258199 1059738196 /nfs/dbraw/zinc/73/81/96/1059738196.db2.gz MXIWOMNJKRANJD-UNMCSNQZSA-N 2 1 385.596 3.771 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC001340205966 1059764366 /nfs/dbraw/zinc/76/43/66/1059764366.db2.gz NMHOGEQRPCAZNV-QHCPKHFHSA-N 2 1 397.607 3.917 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001448109623 1060107859 /nfs/dbraw/zinc/10/78/59/1060107859.db2.gz IJWNSHABLHZZEA-OAQYLSRUSA-N 2 1 383.536 3.762 20 0 GHADMP O=C(CC[N@H+]1CCCC2(CC[NH2+]CC2)C1)NC(c1ccccc1)c1ccccc1 ZINC001346017641 1061293576 /nfs/dbraw/zinc/29/35/76/1061293576.db2.gz NYFOPNIOXVCEIS-UHFFFAOYSA-N 2 1 391.559 3.748 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1C)c1ccccc1 ZINC001454408434 1061767489 /nfs/dbraw/zinc/76/74/89/1061767489.db2.gz SYRFOIDCTQEJLZ-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1C)c1ccccc1 ZINC001454408434 1061767511 /nfs/dbraw/zinc/76/75/11/1061767511.db2.gz SYRFOIDCTQEJLZ-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C)c1ccccc1 ZINC001454408434 1061767535 /nfs/dbraw/zinc/76/75/35/1061767535.db2.gz SYRFOIDCTQEJLZ-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C)c1ccccc1 ZINC001454408434 1061767557 /nfs/dbraw/zinc/76/75/57/1061767557.db2.gz SYRFOIDCTQEJLZ-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCCCC[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001454664630 1061906251 /nfs/dbraw/zinc/90/62/51/1061906251.db2.gz ANTIWKJQUCXTPF-SWUCNREESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001454664630 1061906253 /nfs/dbraw/zinc/90/62/53/1061906253.db2.gz ANTIWKJQUCXTPF-SWUCNREESA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N[C@H]3CCCCC[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001454664630 1061906255 /nfs/dbraw/zinc/90/62/55/1061906255.db2.gz ANTIWKJQUCXTPF-SWUCNREESA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001456476155 1062704107 /nfs/dbraw/zinc/70/41/07/1062704107.db2.gz JULDUHDNPOSOAW-QFIPXVFZSA-N 2 1 383.580 3.721 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001456974533 1062935446 /nfs/dbraw/zinc/93/54/46/1062935446.db2.gz CDYCIOSPMHRALU-DNQXCXABSA-N 2 1 391.559 3.804 20 0 GHADMP C[C@@H](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001457420341 1063165534 /nfs/dbraw/zinc/16/55/34/1063165534.db2.gz COKORUDOPVUYSN-UWJYYQICSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@@H](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC001457420341 1063165546 /nfs/dbraw/zinc/16/55/46/1063165546.db2.gz COKORUDOPVUYSN-UWJYYQICSA-N 2 1 387.955 3.970 20 0 GHADMP c1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc(CN5CCOCC5)c4)C3)nc2c1 ZINC001348620307 1063241342 /nfs/dbraw/zinc/24/13/42/1063241342.db2.gz HPMUHHJRJXVXPO-NRFANRHFSA-N 2 1 390.531 3.775 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C3CCCC3)CC2)cc1 ZINC001459346298 1064069718 /nfs/dbraw/zinc/06/97/18/1064069718.db2.gz MCECEPZYKCRWCV-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C3CCCC3)CC2)cc1 ZINC001459346298 1064069724 /nfs/dbraw/zinc/06/97/24/1064069724.db2.gz MCECEPZYKCRWCV-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C3CCCC3)CC2)cc1 ZINC001459346298 1064069732 /nfs/dbraw/zinc/06/97/32/1064069732.db2.gz MCECEPZYKCRWCV-QHCPKHFHSA-N 2 1 383.580 3.684 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCc1cccc2ccccc21)c1ccccc1 ZINC001459395232 1064085978 /nfs/dbraw/zinc/08/59/78/1064085978.db2.gz PXUDHPXWPJJKSX-XMMPIXPASA-N 2 1 389.543 3.733 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)CC2 ZINC001351023667 1064242396 /nfs/dbraw/zinc/24/23/96/1064242396.db2.gz OJKOOKVGOSXJDM-QFIPXVFZSA-N 2 1 398.595 3.549 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)CC2 ZINC001351023667 1064242398 /nfs/dbraw/zinc/24/23/98/1064242398.db2.gz OJKOOKVGOSXJDM-QFIPXVFZSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CN(c2ccccc2)CCO1 ZINC001459898924 1064262895 /nfs/dbraw/zinc/26/28/95/1064262895.db2.gz FJLSURWDZUPYDU-WIVXBSKCSA-N 2 1 393.575 3.638 20 0 GHADMP CN(C)c1ccc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001459988179 1064323216 /nfs/dbraw/zinc/32/32/16/1064323216.db2.gz BGQMTMDSTIKSMA-UHFFFAOYSA-N 2 1 393.575 3.964 20 0 GHADMP CC(C)(C)[NH2+]CCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001351273253 1064340903 /nfs/dbraw/zinc/34/09/03/1064340903.db2.gz PZSKPZKMWORCCI-UHFFFAOYSA-N 2 1 385.474 3.518 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001464197188 1064902762 /nfs/dbraw/zinc/90/27/62/1064902762.db2.gz XOYFVPYCLPRATJ-AWWSKVOZSA-N 2 1 385.596 3.901 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(OCC(F)F)cc3)CC2)oc1C ZINC001200088105 1065180902 /nfs/dbraw/zinc/18/09/02/1065180902.db2.gz JOJOFTQENNHFDV-UHFFFAOYSA-N 2 1 393.478 3.937 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C(F)F)c1 ZINC001467168146 1067116431 /nfs/dbraw/zinc/11/64/31/1067116431.db2.gz KANMXASOIBBQAE-OAHLLOKOSA-N 2 1 386.462 3.643 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC001477597834 1078484113 /nfs/dbraw/zinc/48/41/13/1078484113.db2.gz GECKENGHQQSMAA-VQIMIIECSA-N 2 1 394.991 3.752 20 0 GHADMP CC1(C)CC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001477633455 1078499671 /nfs/dbraw/zinc/49/96/71/1078499671.db2.gz KLFYSHUERMXYGR-UHFFFAOYSA-N 2 1 386.584 3.594 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001467569464 1067364101 /nfs/dbraw/zinc/36/41/01/1067364101.db2.gz AMSBKNJFRVMLSP-UGKGYDQZSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001467569464 1067364113 /nfs/dbraw/zinc/36/41/13/1067364113.db2.gz AMSBKNJFRVMLSP-UGKGYDQZSA-N 2 1 397.567 3.572 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001468020644 1067569260 /nfs/dbraw/zinc/56/92/60/1067569260.db2.gz SNNVADCDQYCAIL-XXBNENTESA-N 2 1 396.579 3.671 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001468173023 1067619894 /nfs/dbraw/zinc/61/98/94/1067619894.db2.gz APZAVLHBARMIPP-URLVKDPJSA-N 2 1 386.584 3.632 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001468351926 1067699061 /nfs/dbraw/zinc/69/90/61/1067699061.db2.gz SHXYHAZXKYPHKX-CTNGQTDRSA-N 2 1 388.600 3.798 20 0 GHADMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)Nc1ccccc1 ZINC000849109655 1067732734 /nfs/dbraw/zinc/73/27/34/1067732734.db2.gz CKXRXNMAUOXLIO-FQEVSTJZSA-N 2 1 378.520 3.552 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001477866665 1078602744 /nfs/dbraw/zinc/60/27/44/1078602744.db2.gz JTEHULPRWIINMO-FPOVZHCZSA-N 2 1 392.632 3.983 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001477866665 1078602752 /nfs/dbraw/zinc/60/27/52/1078602752.db2.gz JTEHULPRWIINMO-FPOVZHCZSA-N 2 1 392.632 3.983 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001477866665 1078602756 /nfs/dbraw/zinc/60/27/56/1078602756.db2.gz JTEHULPRWIINMO-FPOVZHCZSA-N 2 1 392.632 3.983 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCCC1)c1ccccc1 ZINC001468830552 1067903603 /nfs/dbraw/zinc/90/36/03/1067903603.db2.gz JODRECFNSBXXEJ-NZQKXSOJSA-N 2 1 398.595 3.777 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC001468831279 1067904117 /nfs/dbraw/zinc/90/41/17/1067904117.db2.gz MHUKNDXBVPFTEC-TZIWHRDSSA-N 2 1 386.584 3.774 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC001468842949 1067907133 /nfs/dbraw/zinc/90/71/33/1067907133.db2.gz WCEFCTRYPNXIGO-FDDCHVKYSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC001468842949 1067907135 /nfs/dbraw/zinc/90/71/35/1067907135.db2.gz WCEFCTRYPNXIGO-FDDCHVKYSA-N 2 1 392.547 3.698 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C)c1ccc(Cl)cc1 ZINC001470131855 1068587502 /nfs/dbraw/zinc/58/75/02/1068587502.db2.gz FIAYMJMPJXHDNF-SLFFLAALSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)c1ccc(Cl)cc1 ZINC001470131855 1068587515 /nfs/dbraw/zinc/58/75/15/1068587515.db2.gz FIAYMJMPJXHDNF-SLFFLAALSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)c1ccc(Cl)cc1 ZINC001470131855 1068587532 /nfs/dbraw/zinc/58/75/32/1068587532.db2.gz FIAYMJMPJXHDNF-SLFFLAALSA-N 2 1 392.975 3.601 20 0 GHADMP OC[C@]1([N@@H+](Cc2ccccc2)Cc2cccc(C[NH+]3CCCCC3)c2)CCOC1 ZINC001460088523 1068774257 /nfs/dbraw/zinc/77/42/57/1068774257.db2.gz GAVAEBKVMLXGFS-RUZDIDTESA-N 2 1 394.559 3.826 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148928 1068814056 /nfs/dbraw/zinc/81/40/56/1068814056.db2.gz CAKYFUDOTODDPR-DEOSSOPVSA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148928 1068814073 /nfs/dbraw/zinc/81/40/73/1068814073.db2.gz CAKYFUDOTODDPR-DEOSSOPVSA-N 2 1 399.579 3.898 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4c3CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001460148928 1068814090 /nfs/dbraw/zinc/81/40/90/1068814090.db2.gz CAKYFUDOTODDPR-DEOSSOPVSA-N 2 1 399.579 3.898 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1C[C@@H]2C[NH+](C)CC[C@@H]2C1)c1ccccc1 ZINC001460603965 1069020313 /nfs/dbraw/zinc/02/03/13/1069020313.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 2 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC001460603965 1069020334 /nfs/dbraw/zinc/02/03/34/1069020334.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 2 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC001460603965 1069020350 /nfs/dbraw/zinc/02/03/50/1069020350.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 2 1 377.576 3.786 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](C[NH+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603965 1069020367 /nfs/dbraw/zinc/02/03/67/1069020367.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 3 1 377.576 3.786 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603965 1069020384 /nfs/dbraw/zinc/02/03/84/1069020384.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 3 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603965 1069020401 /nfs/dbraw/zinc/02/04/01/1069020401.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 3 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603965 1069020420 /nfs/dbraw/zinc/02/04/20/1069020420.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 3 1 377.576 3.786 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@@H]2[C@@H](CC[NH+]2C)C1)c1ccccc1 ZINC001460657189 1069062543 /nfs/dbraw/zinc/06/25/43/1069062543.db2.gz UZJQSAUBZBTMJZ-ISJGIBHGSA-N 2 1 377.576 3.928 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC001460657189 1069062546 /nfs/dbraw/zinc/06/25/46/1069062546.db2.gz UZJQSAUBZBTMJZ-ISJGIBHGSA-N 2 1 377.576 3.928 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC001460657189 1069062549 /nfs/dbraw/zinc/06/25/49/1069062549.db2.gz UZJQSAUBZBTMJZ-ISJGIBHGSA-N 2 1 377.576 3.928 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CC[C@@H]2[C@H](CC[NH+]2C)C1)c1ccccc1 ZINC001460657197 1069062583 /nfs/dbraw/zinc/06/25/83/1069062583.db2.gz UZJQSAUBZBTMJZ-UBFVSLLYSA-N 2 1 377.576 3.928 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC001460657197 1069062589 /nfs/dbraw/zinc/06/25/89/1069062589.db2.gz UZJQSAUBZBTMJZ-UBFVSLLYSA-N 2 1 377.576 3.928 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC001460657197 1069062596 /nfs/dbraw/zinc/06/25/96/1069062596.db2.gz UZJQSAUBZBTMJZ-UBFVSLLYSA-N 2 1 377.576 3.928 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C4CCC4)CC3)cc2)CC1 ZINC001460668271 1069071754 /nfs/dbraw/zinc/07/17/54/1069071754.db2.gz CHBAYEMLWHUQRD-OAQYLSRUSA-N 2 1 398.595 3.669 20 0 GHADMP C[C@]1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001478556071 1078916500 /nfs/dbraw/zinc/91/65/00/1078916500.db2.gz WSESRAUPWOUYES-ZJSXRUAMSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@]1(CNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001478556071 1078916503 /nfs/dbraw/zinc/91/65/03/1078916503.db2.gz WSESRAUPWOUYES-ZJSXRUAMSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@]1(CNC(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001478556071 1078916504 /nfs/dbraw/zinc/91/65/04/1078916504.db2.gz WSESRAUPWOUYES-ZJSXRUAMSA-N 2 1 398.595 3.605 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001478772729 1078983330 /nfs/dbraw/zinc/98/33/30/1078983330.db2.gz YGHNZQRLYMFDHE-SFTDATJTSA-N 2 1 388.600 3.660 20 0 GHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1cc(C)ccc1C ZINC001471081696 1072914648 /nfs/dbraw/zinc/91/46/48/1072914648.db2.gz WZYUTIWRPQIJMB-IFMALSPDSA-N 2 1 388.600 3.812 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1cccc(C(F)(F)F)c1 ZINC001471215800 1072970130 /nfs/dbraw/zinc/97/01/30/1072970130.db2.gz RMJQANAKZBYBMO-QRQLOZEOSA-N 2 1 397.485 3.641 20 0 GHADMP C[N@H+]1CC[C@H]1CNC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001471409328 1073059705 /nfs/dbraw/zinc/05/97/05/1073059705.db2.gz GWKLLXLWJUFLSU-XZOQPEGZSA-N 2 1 398.595 3.557 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC001478928741 1079029858 /nfs/dbraw/zinc/02/98/58/1079029858.db2.gz JYTKLFHZUHYALZ-YADHBBJMSA-N 2 1 386.584 3.557 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC001478928741 1079029864 /nfs/dbraw/zinc/02/98/64/1079029864.db2.gz JYTKLFHZUHYALZ-YADHBBJMSA-N 2 1 386.584 3.557 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC001478928741 1079029873 /nfs/dbraw/zinc/02/98/73/1079029873.db2.gz JYTKLFHZUHYALZ-YADHBBJMSA-N 2 1 386.584 3.557 20 0 GHADMP CN(CCCC[NH+]1CCCCC1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001471537045 1073121617 /nfs/dbraw/zinc/12/16/17/1073121617.db2.gz WNPQTXGUZWADAJ-NRFANRHFSA-N 2 1 389.609 3.501 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC001471805018 1073222921 /nfs/dbraw/zinc/22/29/21/1073222921.db2.gz LHWFPNMWPILPCE-SFHVURJKSA-N 2 1 381.442 3.867 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC001471805018 1073222926 /nfs/dbraw/zinc/22/29/26/1073222926.db2.gz LHWFPNMWPILPCE-SFHVURJKSA-N 2 1 381.442 3.867 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001473182416 1073838248 /nfs/dbraw/zinc/83/82/48/1073838248.db2.gz CTLVVGFOHHRSAO-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001473182416 1073838256 /nfs/dbraw/zinc/83/82/56/1073838256.db2.gz CTLVVGFOHHRSAO-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP C[NH+](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001473182416 1073838261 /nfs/dbraw/zinc/83/82/61/1073838261.db2.gz CTLVVGFOHHRSAO-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC001473221258 1073870321 /nfs/dbraw/zinc/87/03/21/1073870321.db2.gz BLZWQMNMJSUJQL-FQEVSTJZSA-N 2 1 383.580 3.942 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H](CC(C)C)C3)CC2)cc1 ZINC001473278213 1073903476 /nfs/dbraw/zinc/90/34/76/1073903476.db2.gz QRPAXRLKJBAZNB-HSZRJFAPSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](CC(C)C)C3)CC2)cc1 ZINC001473278213 1073903479 /nfs/dbraw/zinc/90/34/79/1073903479.db2.gz QRPAXRLKJBAZNB-HSZRJFAPSA-N 2 1 385.596 3.787 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H](CC(C)C)C3)CC2)cc1 ZINC001473278213 1073903485 /nfs/dbraw/zinc/90/34/85/1073903485.db2.gz QRPAXRLKJBAZNB-HSZRJFAPSA-N 2 1 385.596 3.787 20 0 GHADMP CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H]1C ZINC001473401642 1073950994 /nfs/dbraw/zinc/95/09/94/1073950994.db2.gz CJDVBUIJEOSZMG-QKLQHJQFSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H]1C ZINC001473401642 1073950997 /nfs/dbraw/zinc/95/09/97/1073950997.db2.gz CJDVBUIJEOSZMG-QKLQHJQFSA-N 2 1 377.960 3.714 20 0 GHADMP CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001473467704 1073979712 /nfs/dbraw/zinc/97/97/12/1073979712.db2.gz GMQABHULFZSPTM-HXUWFJFHSA-N 2 1 397.604 3.648 20 0 GHADMP COc1cc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1Cl ZINC001473927633 1074207440 /nfs/dbraw/zinc/20/74/40/1074207440.db2.gz UXRXHVZQLZYPAQ-OAQYLSRUSA-N 2 1 387.955 3.817 20 0 GHADMP CCCC[NH+]1CCC([NH2+]Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC001473960944 1074219113 /nfs/dbraw/zinc/21/91/13/1074219113.db2.gz NAMHYRJDGLJRRI-UHFFFAOYSA-N 2 1 379.346 3.759 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCc2ccccc21 ZINC001473969536 1074221279 /nfs/dbraw/zinc/22/12/79/1074221279.db2.gz PIUPLSGQLQICKB-LJQANCHMSA-N 2 1 381.539 3.873 20 0 GHADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001474067596 1074252511 /nfs/dbraw/zinc/25/25/11/1074252511.db2.gz AOKIKGMLUNKUTG-SJORKVTESA-N 2 1 376.850 3.826 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC001474185617 1074287010 /nfs/dbraw/zinc/28/70/10/1074287010.db2.gz VANAZPPIWPGIKI-RCZVLFRGSA-N 2 1 393.575 3.782 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC001474185617 1074287017 /nfs/dbraw/zinc/28/70/17/1074287017.db2.gz VANAZPPIWPGIKI-RCZVLFRGSA-N 2 1 393.575 3.782 20 0 GHADMP CCc1[nH]c(C[NH+]2CCC(CC[N@H+](CC)CC(C)C)CC2)cc1C(=O)OC ZINC001474502899 1074435646 /nfs/dbraw/zinc/43/56/46/1074435646.db2.gz DLHYRTGBPHDHDZ-UHFFFAOYSA-N 2 1 377.573 3.944 20 0 GHADMP CCOc1cc(F)cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC001474641701 1074496109 /nfs/dbraw/zinc/49/61/09/1074496109.db2.gz FSGQSAHTWMRMEF-NRFANRHFSA-N 2 1 387.499 3.724 20 0 GHADMP CCOc1cc(F)cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c1 ZINC001474641701 1074496114 /nfs/dbraw/zinc/49/61/14/1074496114.db2.gz FSGQSAHTWMRMEF-NRFANRHFSA-N 2 1 387.499 3.724 20 0 GHADMP CCOc1cc(F)cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c1 ZINC001474641701 1074496118 /nfs/dbraw/zinc/49/61/18/1074496118.db2.gz FSGQSAHTWMRMEF-NRFANRHFSA-N 2 1 387.499 3.724 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000066124561 222137563 /nfs/dbraw/zinc/13/75/63/222137563.db2.gz CWSKCZOOFFDFCM-UHFFFAOYSA-N 2 1 375.557 3.588 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419014 608212023 /nfs/dbraw/zinc/21/20/23/608212023.db2.gz DFUUOXDBXIVUQC-KRWDZBQOSA-N 2 1 382.556 3.762 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4C[C@H]5c6ccccc6C[NH2+][C@@H]5C4)ccc3C2)cc1 ZINC001164425885 718942012 /nfs/dbraw/zinc/94/20/12/718942012.db2.gz XQNWTOMKZKZXAS-UKILVPOCSA-N 2 1 396.538 3.716 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC001164635334 719237326 /nfs/dbraw/zinc/23/73/26/719237326.db2.gz PRDOEFLZQWACHC-ZIAGYGMSSA-N 2 1 375.586 3.679 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC001164635334 719237330 /nfs/dbraw/zinc/23/73/30/719237330.db2.gz PRDOEFLZQWACHC-ZIAGYGMSSA-N 2 1 375.586 3.679 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC[NH+]3Cc2cccnc2)nc1 ZINC001164725727 720471370 /nfs/dbraw/zinc/47/13/70/720471370.db2.gz JXNVAOXEQFIIKF-ZLNRFVROSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164725727 720471376 /nfs/dbraw/zinc/47/13/76/720471376.db2.gz JXNVAOXEQFIIKF-ZLNRFVROSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164725727 720471383 /nfs/dbraw/zinc/47/13/83/720471383.db2.gz JXNVAOXEQFIIKF-ZLNRFVROSA-N 2 1 391.563 3.877 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164843329 720683188 /nfs/dbraw/zinc/68/31/88/720683188.db2.gz OAAMIAAJWMOACZ-OAQYLSRUSA-N 2 1 377.532 3.830 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164843329 720683203 /nfs/dbraw/zinc/68/32/03/720683203.db2.gz OAAMIAAJWMOACZ-OAQYLSRUSA-N 2 1 377.532 3.830 20 0 GHADMP Cc1cc[nH+]c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753457 720867380 /nfs/dbraw/zinc/86/73/80/720867380.db2.gz PMZCLHNUSYAEOI-UPVQGACJSA-N 2 1 392.547 3.540 20 0 GHADMP Cc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164753457 720867381 /nfs/dbraw/zinc/86/73/81/720867381.db2.gz PMZCLHNUSYAEOI-UPVQGACJSA-N 2 1 392.547 3.540 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N4CCCC4)cc[nH+]3)C[C@@H]21 ZINC001165028889 721818648 /nfs/dbraw/zinc/81/86/48/721818648.db2.gz XYUWVISAWCHSHR-AJSBUHFISA-N 2 1 391.563 3.814 20 0 GHADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)c1 ZINC001164955243 722019744 /nfs/dbraw/zinc/01/97/44/722019744.db2.gz BNJVMJLCEXAVMU-UHFFFAOYSA-N 2 1 377.536 3.569 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079451 837403658 /nfs/dbraw/zinc/40/36/58/837403658.db2.gz CFQORBBIPQEWRK-RXVVDRJESA-N 2 1 395.547 3.552 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000471382740 837422464 /nfs/dbraw/zinc/42/24/64/837422464.db2.gz HOIAASIZCFOGGV-IBGZPJMESA-N 2 1 397.588 3.525 20 0 GHADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000471382740 837422472 /nfs/dbraw/zinc/42/24/72/837422472.db2.gz HOIAASIZCFOGGV-IBGZPJMESA-N 2 1 397.588 3.525 20 0 GHADMP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000471382740 837422480 /nfs/dbraw/zinc/42/24/80/837422480.db2.gz HOIAASIZCFOGGV-IBGZPJMESA-N 2 1 397.588 3.525 20 0 GHADMP Clc1cccc(CN2CCCC[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655710505 837702810 /nfs/dbraw/zinc/70/28/10/837702810.db2.gz CLGHOZHWKWGBKK-FCHUYYIVSA-N 2 1 391.987 3.537 20 0 GHADMP COc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655710789 837703655 /nfs/dbraw/zinc/70/36/55/837703655.db2.gz FKNKXXIDCGNZSY-FQEVSTJZSA-N 2 1 382.504 3.830 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000655717278 837724034 /nfs/dbraw/zinc/72/40/34/837724034.db2.gz ZYRHZEYFZHGDIT-HNNXBMFYSA-N 2 1 389.341 3.517 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000655717278 837724038 /nfs/dbraw/zinc/72/40/38/837724038.db2.gz ZYRHZEYFZHGDIT-HNNXBMFYSA-N 2 1 389.341 3.517 20 0 GHADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Sc1ccc(Br)cc1 ZINC000655727053 837746620 /nfs/dbraw/zinc/74/66/20/837746620.db2.gz IKCYAQLSBYFASB-PBHICJAKSA-N 2 1 399.398 3.773 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000579699974 834410909 /nfs/dbraw/zinc/41/09/09/834410909.db2.gz AWBUOLNTNVUWDR-NSISKUIASA-N 2 1 395.950 3.886 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)s2)cc1C ZINC000655731765 837769043 /nfs/dbraw/zinc/76/90/43/837769043.db2.gz ZDRSCGXPIRHTKE-UHFFFAOYSA-N 2 1 386.609 3.790 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655733021 837771025 /nfs/dbraw/zinc/77/10/25/837771025.db2.gz HYVJHXLNWBZQMI-YJBOKZPZSA-N 2 1 381.358 3.613 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C[N@H+]1Cc1ccccc1 ZINC000655736134 837776952 /nfs/dbraw/zinc/77/69/52/837776952.db2.gz CEUBSHPEBISKOP-KIFXHHALSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000655736134 837776960 /nfs/dbraw/zinc/77/69/60/837776960.db2.gz CEUBSHPEBISKOP-KIFXHHALSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[N@H+]1Cc1ccccc1 ZINC000655736134 837776969 /nfs/dbraw/zinc/77/69/69/837776969.db2.gz CEUBSHPEBISKOP-KIFXHHALSA-N 3 1 385.596 3.520 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1cccs1 ZINC000647333079 834526299 /nfs/dbraw/zinc/52/62/99/834526299.db2.gz LELBRMBQWQAGDT-QMMLZNLJSA-N 2 1 385.577 3.643 20 0 GHADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NCc1cccs1 ZINC000647333079 834526306 /nfs/dbraw/zinc/52/63/06/834526306.db2.gz LELBRMBQWQAGDT-QMMLZNLJSA-N 2 1 385.577 3.643 20 0 GHADMP COC(=O)c1sccc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000892380077 834535910 /nfs/dbraw/zinc/53/59/10/834535910.db2.gz MGKDXDZPCQEPNH-UHFFFAOYSA-N 2 1 387.549 3.925 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Oc1cccnc1 ZINC000650706425 834537546 /nfs/dbraw/zinc/53/75/46/834537546.db2.gz KIOGEUDWLKMIBU-MIZPHKNDSA-N 2 1 381.520 3.901 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1cccc(Br)c1 ZINC000650707590 834544864 /nfs/dbraw/zinc/54/48/64/834544864.db2.gz JBXONQXCXFTTKV-IWKCEXAMSA-N 2 1 381.358 3.771 20 0 GHADMP C[C@H]1C[C@H](NCC2([NH+]3CCCCC3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000089595060 834595027 /nfs/dbraw/zinc/59/50/27/834595027.db2.gz OMCIHZJMYCXVCC-JTHBVZDNSA-N 2 1 385.596 3.664 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000579780302 834656926 /nfs/dbraw/zinc/65/69/26/834656926.db2.gz CSCQPJXUFBZPCR-QFIPXVFZSA-N 2 1 380.536 3.690 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000139366354 834736440 /nfs/dbraw/zinc/73/64/40/834736440.db2.gz CJTRURJMSCNQJH-XXBNENTESA-N 2 1 377.532 3.848 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000246165180 834819650 /nfs/dbraw/zinc/81/96/50/834819650.db2.gz AQCLUDOHWMTEFR-XKCSPQBFSA-N 2 1 379.548 3.693 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000536098136 834848302 /nfs/dbraw/zinc/84/83/02/834848302.db2.gz JAPBZZUTULKMCJ-XZOQPEGZSA-N 2 1 394.563 3.773 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)c(Cl)c1 ZINC000657879528 834883139 /nfs/dbraw/zinc/88/31/39/834883139.db2.gz LFEFMLCCMDZORU-UKRRQHHQSA-N 2 1 389.765 3.990 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000583708111 834902485 /nfs/dbraw/zinc/90/24/85/834902485.db2.gz FJWRDSVSAQORES-INIZCTEOSA-N 2 1 398.400 3.581 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000583708111 834902490 /nfs/dbraw/zinc/90/24/90/834902490.db2.gz FJWRDSVSAQORES-INIZCTEOSA-N 2 1 398.400 3.581 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511265691 834908385 /nfs/dbraw/zinc/90/83/85/834908385.db2.gz MANKUYYMJZXKSF-WOJBJXKFSA-N 2 1 380.621 3.649 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@@H]3C[NH+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000685401601 834983279 /nfs/dbraw/zinc/98/32/79/834983279.db2.gz ACJKAHPDXVGWPP-SIKLNZKXSA-N 2 1 384.524 3.894 20 0 GHADMP CCC[NH+](CC)Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000685401601 834983287 /nfs/dbraw/zinc/98/32/87/834983287.db2.gz ACJKAHPDXVGWPP-SIKLNZKXSA-N 2 1 384.524 3.894 20 0 GHADMP CCC[NH+](CC)Cc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000685401601 834983298 /nfs/dbraw/zinc/98/32/98/834983298.db2.gz ACJKAHPDXVGWPP-SIKLNZKXSA-N 2 1 384.524 3.894 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000685442074 835011093 /nfs/dbraw/zinc/01/10/93/835011093.db2.gz QEKLYBOUGVVKBQ-SGNDLWITSA-N 2 1 380.532 3.632 20 0 GHADMP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685446538 835019245 /nfs/dbraw/zinc/01/92/45/835019245.db2.gz VNFZXKSMJJYFNX-NRFANRHFSA-N 2 1 384.520 3.679 20 0 GHADMP C[NH+]1CCC(CNC(=O)Nc2nc(C(C)(C)C)cs2)(N2CCCCC2)CC1 ZINC000583850405 835138058 /nfs/dbraw/zinc/13/80/58/835138058.db2.gz GJSWSHIBNUVPTE-UHFFFAOYSA-N 2 1 393.601 3.512 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1=CC[N@@H+](C)CC1 ZINC000511309611 835186814 /nfs/dbraw/zinc/18/68/14/835186814.db2.gz SFXMUQADSAEBJV-IBGZPJMESA-N 2 1 384.568 3.512 20 0 GHADMP C[C@@H](C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000685604511 835215741 /nfs/dbraw/zinc/21/57/41/835215741.db2.gz AEHFCQIGKLTEKR-KNOXWWKRSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@@H](C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000685604511 835215747 /nfs/dbraw/zinc/21/57/47/835215747.db2.gz AEHFCQIGKLTEKR-KNOXWWKRSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@H](C[NH+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604511 835215754 /nfs/dbraw/zinc/21/57/54/835215754.db2.gz AEHFCQIGKLTEKR-KNOXWWKRSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@H](C[NH+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604511 835215759 /nfs/dbraw/zinc/21/57/59/835215759.db2.gz AEHFCQIGKLTEKR-KNOXWWKRSA-N 2 1 388.596 3.690 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnn2)c1 ZINC000685665248 835286222 /nfs/dbraw/zinc/28/62/22/835286222.db2.gz YXFAIMWZGUHPDB-CTNGQTDRSA-N 2 1 390.535 3.615 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274793096 835309367 /nfs/dbraw/zinc/30/93/67/835309367.db2.gz MUZKWNIQXYNLCU-XMSQKQJNSA-N 2 1 377.532 3.596 20 0 GHADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000375596448 835400220 /nfs/dbraw/zinc/40/02/20/835400220.db2.gz IBIONALBIVDUAU-UWVAXJGDSA-N 2 1 383.502 3.767 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4cc(Cl)ccc43)cc2)C1 ZINC000658135365 835444460 /nfs/dbraw/zinc/44/44/60/835444460.db2.gz DHRPLABBJQDPNL-TZIWHRDSSA-N 2 1 386.923 3.910 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cc1 ZINC000658140886 835467515 /nfs/dbraw/zinc/46/75/15/835467515.db2.gz ALWVAMUHRBIHRR-FOIQADDNSA-N 2 1 389.337 3.867 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C1CCCCC1 ZINC000584055820 835521031 /nfs/dbraw/zinc/52/10/31/835521031.db2.gz SBWBZFZOIPIBQK-NRFANRHFSA-N 2 1 395.551 3.824 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccc(F)c(F)c2)cc1 ZINC000521317647 835526322 /nfs/dbraw/zinc/52/63/22/835526322.db2.gz QUANCHKQHMAYFX-MAUKXSAKSA-N 2 1 385.458 3.961 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4cn(C(C)C)nc4c3)CC2)CC1 ZINC000655391703 835711878 /nfs/dbraw/zinc/71/18/78/835711878.db2.gz KPYVDGHKSVYFDS-UHFFFAOYSA-N 2 1 397.567 3.752 20 0 GHADMP Cc1cc(CO)cc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)[nH+]1 ZINC000663846969 844084693 /nfs/dbraw/zinc/08/46/93/844084693.db2.gz NTXGSRNVGAHHBN-UHFFFAOYSA-N 2 1 378.476 3.614 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)[C@@H](C)C1 ZINC000471221978 835975482 /nfs/dbraw/zinc/97/54/82/835975482.db2.gz YZKVVWXDOZHXHT-IYOUNJFTSA-N 2 1 386.367 3.833 20 0 GHADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471224960 836007173 /nfs/dbraw/zinc/00/71/73/836007173.db2.gz XRAOVSDOBSKMAO-IBGZPJMESA-N 2 1 397.538 3.847 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000431646663 836048546 /nfs/dbraw/zinc/04/85/46/836048546.db2.gz DUDBZYKJZAKFAJ-FQEVSTJZSA-N 2 1 380.621 3.698 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc(Br)c1O ZINC000668818061 836386449 /nfs/dbraw/zinc/38/64/49/836386449.db2.gz FGYILHANKXKALV-OAHLLOKOSA-N 2 1 397.357 3.765 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(Br)c1O ZINC000668818061 836386461 /nfs/dbraw/zinc/38/64/61/836386461.db2.gz FGYILHANKXKALV-OAHLLOKOSA-N 2 1 397.357 3.765 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@H+](C)CCc2ccccc2)c2cccs2)CC1 ZINC000613449935 836406158 /nfs/dbraw/zinc/40/61/58/836406158.db2.gz DNXUGRFPGBKIDO-NRFANRHFSA-N 2 1 399.604 3.812 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)c2cccs2)CC1 ZINC000613449935 836406160 /nfs/dbraw/zinc/40/61/60/836406160.db2.gz DNXUGRFPGBKIDO-NRFANRHFSA-N 2 1 399.604 3.812 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000246961345 836486658 /nfs/dbraw/zinc/48/66/58/836486658.db2.gz RMRSPVAAACLLRT-TYPHKJRUSA-N 2 1 385.577 3.940 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000246961345 836486661 /nfs/dbraw/zinc/48/66/61/836486661.db2.gz RMRSPVAAACLLRT-TYPHKJRUSA-N 2 1 385.577 3.940 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000246961345 836486668 /nfs/dbraw/zinc/48/66/68/836486668.db2.gz RMRSPVAAACLLRT-TYPHKJRUSA-N 2 1 385.577 3.940 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000892570263 836634105 /nfs/dbraw/zinc/63/41/05/836634105.db2.gz IQZCGFKXXCGJBH-INIZCTEOSA-N 2 1 387.549 3.984 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)s1 ZINC000892570263 836634110 /nfs/dbraw/zinc/63/41/10/836634110.db2.gz IQZCGFKXXCGJBH-INIZCTEOSA-N 2 1 387.549 3.984 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000892585241 836794230 /nfs/dbraw/zinc/79/42/30/836794230.db2.gz RYLRCEFWAYOMSJ-INIZCTEOSA-N 2 1 377.533 3.568 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000511402585 837036408 /nfs/dbraw/zinc/03/64/08/837036408.db2.gz VKVXZCOIUWTHSH-AQNXPRMDSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000511402585 837036420 /nfs/dbraw/zinc/03/64/20/837036420.db2.gz VKVXZCOIUWTHSH-AQNXPRMDSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000511402585 837036432 /nfs/dbraw/zinc/03/64/32/837036432.db2.gz VKVXZCOIUWTHSH-AQNXPRMDSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497843 837053947 /nfs/dbraw/zinc/05/39/47/837053947.db2.gz XRSIELWMSQGKIA-UXHICEINSA-N 2 1 384.520 3.842 20 0 GHADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000647497843 837053960 /nfs/dbraw/zinc/05/39/60/837053960.db2.gz XRSIELWMSQGKIA-UXHICEINSA-N 2 1 384.520 3.842 20 0 GHADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(C)=O ZINC000547828554 837163109 /nfs/dbraw/zinc/16/31/09/837163109.db2.gz ZTQCBMFWEIWQNH-LAUBAEHRSA-N 2 1 381.520 3.654 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513066982 844252809 /nfs/dbraw/zinc/25/28/09/844252809.db2.gz DBVSYURKODPXBV-UEVCKROQSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(=O)N(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513066982 844252819 /nfs/dbraw/zinc/25/28/19/844252819.db2.gz DBVSYURKODPXBV-UEVCKROQSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513066979 844253067 /nfs/dbraw/zinc/25/30/67/844253067.db2.gz DBVSYURKODPXBV-PTUXOGIPSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513066979 844253077 /nfs/dbraw/zinc/25/30/77/844253077.db2.gz DBVSYURKODPXBV-PTUXOGIPSA-N 2 1 379.548 3.849 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000047778305 837889150 /nfs/dbraw/zinc/88/91/50/837889150.db2.gz WFJYIENCOXIHOL-RXVVDRJESA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000047778305 837889160 /nfs/dbraw/zinc/88/91/60/837889160.db2.gz WFJYIENCOXIHOL-RXVVDRJESA-N 2 1 398.551 3.756 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@@H]3Sc4ccccc4NC3=O)C2)CC1 ZINC000659864184 837903849 /nfs/dbraw/zinc/90/38/49/837903849.db2.gz KBFHELKPWLRWED-RXVVDRJESA-N 2 1 387.593 3.933 20 0 GHADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCC2 ZINC000423523223 837958462 /nfs/dbraw/zinc/95/84/62/837958462.db2.gz VQDISEDLRUWZLW-QLOJAFMTSA-N 2 1 392.385 3.633 20 0 GHADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000659865931 837965177 /nfs/dbraw/zinc/96/51/77/837965177.db2.gz RLCCSNFDEBCHEI-RTBURBONSA-N 2 1 380.527 3.597 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@@H+]1C ZINC000377901261 838130478 /nfs/dbraw/zinc/13/04/78/838130478.db2.gz FBJXHXPRRMOMEW-HOCLYGCPSA-N 2 1 398.378 3.804 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[N@H+]1C ZINC000377901261 838130484 /nfs/dbraw/zinc/13/04/84/838130484.db2.gz FBJXHXPRRMOMEW-HOCLYGCPSA-N 2 1 398.378 3.804 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000312589854 838274038 /nfs/dbraw/zinc/27/40/38/838274038.db2.gz DMDJEWPEIDHFSD-AZUAARDMSA-N 2 1 386.561 3.653 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000415930228 838287659 /nfs/dbraw/zinc/28/76/59/838287659.db2.gz ZTXBBNYQWXUOKZ-VXKWHMMOSA-N 2 1 394.519 3.514 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415965897 838327079 /nfs/dbraw/zinc/32/70/79/838327079.db2.gz FLQDMPLLKLXRSI-UHFFFAOYSA-N 2 1 398.429 3.743 20 0 GHADMP COC(=O)C1(c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC001167326798 838364562 /nfs/dbraw/zinc/36/45/62/838364562.db2.gz RZKNHDQQUAUNEK-NRFANRHFSA-N 2 1 384.564 3.979 20 0 GHADMP COC(=O)C1(c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC001167326798 838364570 /nfs/dbraw/zinc/36/45/70/838364570.db2.gz RZKNHDQQUAUNEK-NRFANRHFSA-N 2 1 384.564 3.979 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000275687226 838419423 /nfs/dbraw/zinc/41/94/23/838419423.db2.gz QWRJFUAVNOEJTE-KNQAVFIVSA-N 2 1 394.563 3.965 20 0 GHADMP CCC1CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001167341563 838550805 /nfs/dbraw/zinc/55/08/05/838550805.db2.gz KMLXSRIBBZWDRP-HXUWFJFHSA-N 2 1 377.960 3.715 20 0 GHADMP Cn1c2ccc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2sc1=O ZINC000584561732 838632899 /nfs/dbraw/zinc/63/28/99/838632899.db2.gz WWLMULLZPRYZGL-WOJBJXKFSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2sc1=O ZINC000584561732 838632903 /nfs/dbraw/zinc/63/29/03/838632903.db2.gz WWLMULLZPRYZGL-WOJBJXKFSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2sc1=O ZINC000584561732 838632909 /nfs/dbraw/zinc/63/29/09/838632909.db2.gz WWLMULLZPRYZGL-WOJBJXKFSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2sc1=O ZINC000584561732 838632916 /nfs/dbraw/zinc/63/29/16/838632916.db2.gz WWLMULLZPRYZGL-WOJBJXKFSA-N 2 1 393.556 3.554 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000416156388 838644366 /nfs/dbraw/zinc/64/43/66/838644366.db2.gz OYMMTHSIDHVHMD-WOIUINJBSA-N 2 1 385.577 3.940 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000376766325 838724109 /nfs/dbraw/zinc/72/41/09/838724109.db2.gz DIPFYHFVBYVRQZ-ZYGDZFMBSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000376766325 838724117 /nfs/dbraw/zinc/72/41/17/838724117.db2.gz DIPFYHFVBYVRQZ-ZYGDZFMBSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000376766325 838724124 /nfs/dbraw/zinc/72/41/24/838724124.db2.gz DIPFYHFVBYVRQZ-ZYGDZFMBSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000892737793 838934097 /nfs/dbraw/zinc/93/40/97/838934097.db2.gz KWHFYDZUJNGASZ-OKZBNKHCSA-N 2 1 393.597 3.853 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000892737793 838934108 /nfs/dbraw/zinc/93/41/08/838934108.db2.gz KWHFYDZUJNGASZ-OKZBNKHCSA-N 2 1 393.597 3.853 20 0 GHADMP CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358251 838935249 /nfs/dbraw/zinc/93/52/49/838935249.db2.gz XVJXZYOSDWIWEK-LEWJYISDSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@H](C)[C@@H](C)[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358251 838935255 /nfs/dbraw/zinc/93/52/55/838935255.db2.gz XVJXZYOSDWIWEK-LEWJYISDSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@H](C)[C@@H](C)[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CC1 ZINC001167358251 838935264 /nfs/dbraw/zinc/93/52/64/838935264.db2.gz XVJXZYOSDWIWEK-LEWJYISDSA-N 2 1 385.596 3.928 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000312143180 838942911 /nfs/dbraw/zinc/94/29/11/838942911.db2.gz SETLZXRKEWUVAA-IYWMVGAKSA-N 2 1 379.589 3.876 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000236645371 839076894 /nfs/dbraw/zinc/07/68/94/839076894.db2.gz XKUJOCVGRNRHTJ-UHFFFAOYSA-N 2 1 397.357 3.963 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000189094276 839077943 /nfs/dbraw/zinc/07/79/43/839077943.db2.gz DNEGVZYCUBAOAI-MBSDFSHPSA-N 2 1 388.515 3.941 20 0 GHADMP Fc1ccc(C(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccc(F)cc2)cc1 ZINC000415055890 839137350 /nfs/dbraw/zinc/13/73/50/839137350.db2.gz PGRVJBZRDITHHZ-UHFFFAOYSA-N 2 1 399.529 3.903 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000415064060 839140837 /nfs/dbraw/zinc/14/08/37/839140837.db2.gz BOOCVIUCFVRHJW-MRXNPFEDSA-N 2 1 384.549 3.577 20 0 GHADMP [NH3+]CC1(N(Cc2ccccc2)c2cc[nH+]c3ccc(Br)cc32)COC1 ZINC001167374982 839185130 /nfs/dbraw/zinc/18/51/30/839185130.db2.gz ZLCBKFZVGYLPMB-UHFFFAOYSA-N 2 1 398.304 3.732 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)c(Cl)s3)CC2)C1 ZINC000415126781 839237161 /nfs/dbraw/zinc/23/71/61/839237161.db2.gz QDBYEFLSENBKBE-BXUZGUMPSA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)ccc3Cl)CC2)C1 ZINC000415126839 839237417 /nfs/dbraw/zinc/23/74/17/839237417.db2.gz QGFFYYPXMXWZGF-NVXWUHKLSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3([NH3+])CCN(Cc4ccccc4)CC3)CC2)C1 ZINC000415125363 839246924 /nfs/dbraw/zinc/24/69/24/839246924.db2.gz DOZFQZPHIZDJEX-URXFXBBRSA-N 2 1 398.639 3.613 20 0 GHADMP COc1cccc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1OC(C)C ZINC000415125476 839247071 /nfs/dbraw/zinc/24/70/71/839247071.db2.gz FDDDJXDCMDGLGL-UHFFFAOYSA-N 2 1 397.563 3.566 20 0 GHADMP [NH3+]C1(CNCc2ccc(OC(F)F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415134123 839249925 /nfs/dbraw/zinc/24/99/25/839249925.db2.gz NUGUMSMJLCKTHB-UHFFFAOYSA-N 2 1 393.453 3.510 20 0 GHADMP [NH3+]C1(CNCc2cnc(-c3ccsc3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415128108 839253146 /nfs/dbraw/zinc/25/31/46/839253146.db2.gz JOTRFNAKRLPYQB-UHFFFAOYSA-N 2 1 398.601 3.955 20 0 GHADMP [NH3+]CC1(O)CC[NH+](Cc2c(Cl)cccc2OCc2ccccc2Cl)CC1 ZINC000415144314 839275102 /nfs/dbraw/zinc/27/51/02/839275102.db2.gz UISNYOFXTBWUDJ-UHFFFAOYSA-N 2 1 395.330 3.858 20 0 GHADMP C[C@@H]1CCC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000431886110 839402512 /nfs/dbraw/zinc/40/25/12/839402512.db2.gz XFULTZDSXHKNEK-WOIUINJBSA-N 2 1 392.632 3.649 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1)C1CC1 ZINC000511566555 839422524 /nfs/dbraw/zinc/42/25/24/839422524.db2.gz QCKMFONGPKDMSU-OAQYLSRUSA-N 2 1 381.520 3.831 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000580553010 839797261 /nfs/dbraw/zinc/79/72/61/839797261.db2.gz LKZIFOISXJZIIX-ILBGXUMGSA-N 2 1 394.559 3.678 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000580579257 839838912 /nfs/dbraw/zinc/83/89/12/839838912.db2.gz MLZBEXAYPOQHQC-QFIPXVFZSA-N 2 1 399.966 3.766 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000580740846 840096977 /nfs/dbraw/zinc/09/69/77/840096977.db2.gz FTLMQJFPWVMODH-KRWDZBQOSA-N 2 1 380.458 3.770 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000580740846 840096986 /nfs/dbraw/zinc/09/69/86/840096986.db2.gz FTLMQJFPWVMODH-KRWDZBQOSA-N 2 1 380.458 3.770 20 0 GHADMP C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000759859380 840229945 /nfs/dbraw/zinc/22/99/45/840229945.db2.gz ROEXTKJCKTUJHU-LAUBAEHRSA-N 2 1 376.903 3.966 20 0 GHADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000759859380 840229955 /nfs/dbraw/zinc/22/99/55/840229955.db2.gz ROEXTKJCKTUJHU-LAUBAEHRSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000759859380 840229965 /nfs/dbraw/zinc/22/99/65/840229965.db2.gz ROEXTKJCKTUJHU-LAUBAEHRSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000759859380 840229975 /nfs/dbraw/zinc/22/99/75/840229975.db2.gz ROEXTKJCKTUJHU-LAUBAEHRSA-N 2 1 376.903 3.966 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1)CC1CC1 ZINC000418467590 840271292 /nfs/dbraw/zinc/27/12/92/840271292.db2.gz AFYCRCZQZZVXBW-GOSISDBHSA-N 2 1 386.584 3.750 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccc4ccccc4c3)CC2)CC1 ZINC000511594118 840327931 /nfs/dbraw/zinc/32/79/31/840327931.db2.gz BMRHOZRPPRZPQX-UHFFFAOYSA-N 2 1 393.575 3.649 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000093006848 840345300 /nfs/dbraw/zinc/34/53/00/840345300.db2.gz DNEGRHLDOBFMBL-UHFFFAOYSA-N 2 1 393.575 3.867 20 0 GHADMP O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000660435003 840358564 /nfs/dbraw/zinc/35/85/64/840358564.db2.gz IVMFUEBHAWRCCE-FQEVSTJZSA-N 2 1 396.560 3.902 20 0 GHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1 ZINC000614090996 844536280 /nfs/dbraw/zinc/53/62/80/844536280.db2.gz BPTJRCFCZHDLEB-GOTSBHOMSA-N 2 1 395.522 3.577 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1 ZINC000614090996 844536288 /nfs/dbraw/zinc/53/62/88/844536288.db2.gz BPTJRCFCZHDLEB-GOTSBHOMSA-N 2 1 395.522 3.577 20 0 GHADMP CC(C)(CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000417084498 840442579 /nfs/dbraw/zinc/44/25/79/840442579.db2.gz ANWCEYJTOOGUHV-QFIPXVFZSA-N 2 1 394.563 3.603 20 0 GHADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000417226175 840606520 /nfs/dbraw/zinc/60/65/20/840606520.db2.gz TVDPNPWWXQIJBS-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417227291 840607682 /nfs/dbraw/zinc/60/76/82/840607682.db2.gz VBLYHSKAEVIMSN-IBGZPJMESA-N 2 1 386.584 3.640 20 0 GHADMP C[C@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C[NH+]1CCCC1 ZINC000511774749 840704563 /nfs/dbraw/zinc/70/45/63/840704563.db2.gz XLVDDNWWPQSDRV-HXUWFJFHSA-N 2 1 379.548 3.780 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660675702 841089761 /nfs/dbraw/zinc/08/97/61/841089761.db2.gz KWPSKLBEWLGURZ-TZIWHRDSSA-N 2 1 398.595 3.633 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417914392 841269084 /nfs/dbraw/zinc/26/90/84/841269084.db2.gz ASWLLPXHEFNJJY-CNNODRBYSA-N 2 1 394.563 3.806 20 0 GHADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000417991353 841358538 /nfs/dbraw/zinc/35/85/38/841358538.db2.gz LJSIGMRHCLLCPK-RBDMOPTHSA-N 2 1 386.584 3.762 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cc1cccc(Cl)c1 ZINC000581484182 841527725 /nfs/dbraw/zinc/52/77/25/841527725.db2.gz WWZVJFPXCILTHB-HKUYNNGSSA-N 2 1 378.969 3.807 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1cccc(Cl)c1 ZINC000581484182 841527734 /nfs/dbraw/zinc/52/77/34/841527734.db2.gz WWZVJFPXCILTHB-HKUYNNGSSA-N 2 1 378.969 3.807 20 0 GHADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCNC(=O)CC1 ZINC000661576080 841905099 /nfs/dbraw/zinc/90/50/99/841905099.db2.gz PLFZLWZACZUDOQ-IBGZPJMESA-N 2 1 379.976 3.790 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OCC(F)(F)F ZINC000656783090 841913546 /nfs/dbraw/zinc/91/35/46/841913546.db2.gz NYNYEIIBXGLQMJ-KRWDZBQOSA-N 2 1 386.458 3.848 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656783108 841913952 /nfs/dbraw/zinc/91/39/52/841913952.db2.gz OCFLMVNYFMUACA-FQEVSTJZSA-N 2 1 395.547 3.881 20 0 GHADMP COc1c(Br)cc(C[NH2+]CC2([NH3+])CCCC2)cc1Br ZINC000656788453 841927757 /nfs/dbraw/zinc/92/77/57/841927757.db2.gz PUFUIVZTPKPCJG-UHFFFAOYSA-N 2 1 392.135 3.581 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000430638086 841994169 /nfs/dbraw/zinc/99/41/69/841994169.db2.gz MKKPVMHCBMASLL-QDSKXPNFSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430638086 841994177 /nfs/dbraw/zinc/99/41/77/841994177.db2.gz MKKPVMHCBMASLL-QDSKXPNFSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000430638086 841994183 /nfs/dbraw/zinc/99/41/83/841994183.db2.gz MKKPVMHCBMASLL-QDSKXPNFSA-N 2 1 391.559 3.820 20 0 GHADMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150851431 842036139 /nfs/dbraw/zinc/03/61/39/842036139.db2.gz FVKVTZPVVUCJGD-NFBKMPQASA-N 2 1 380.532 3.511 20 0 GHADMP O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150851431 842036140 /nfs/dbraw/zinc/03/61/40/842036140.db2.gz FVKVTZPVVUCJGD-NFBKMPQASA-N 2 1 380.532 3.511 20 0 GHADMP Fc1ccc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)cc1 ZINC000154979744 842095171 /nfs/dbraw/zinc/09/51/71/842095171.db2.gz KCNDLTCRIXUMEV-QHCPKHFHSA-N 2 1 389.559 3.586 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCCOC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167833975 842225141 /nfs/dbraw/zinc/22/51/41/842225141.db2.gz GVTBBOJGURXPBC-VQTJNVASSA-N 2 1 399.620 3.845 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581857046 842313015 /nfs/dbraw/zinc/31/30/15/842313015.db2.gz CAIINCFGGYSJRM-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3coc(-c4ccc(Cl)cc4)n3)C2)C1 ZINC000652347113 842315871 /nfs/dbraw/zinc/31/58/71/842315871.db2.gz SAEDULVDYSSMFH-KVSKMBFKSA-N 2 1 375.900 3.713 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C2)C1 ZINC000652346662 842316014 /nfs/dbraw/zinc/31/60/14/842316014.db2.gz DGJGGLKKVAOYMH-VIZSFHNOSA-N 2 1 399.579 3.571 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000652347318 842325485 /nfs/dbraw/zinc/32/54/85/842325485.db2.gz YNUGXQVCRQIQPC-NXHRZFHOSA-N 2 1 375.900 3.713 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC(F)F ZINC000178035436 861297634 /nfs/dbraw/zinc/29/76/34/861297634.db2.gz YSAWHNRFPOARNW-XHSDSOJGSA-N 2 1 386.483 3.837 20 0 GHADMP CC[NH+](CC)Cc1c(Br)cccc1NCC[NH+]1CCSCC1 ZINC001167838945 842342240 /nfs/dbraw/zinc/34/22/40/842342240.db2.gz JVAGLQITZKBFBV-UHFFFAOYSA-N 2 1 386.403 3.752 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000432410237 842405530 /nfs/dbraw/zinc/40/55/30/842405530.db2.gz MSCKXZZDBNMUIE-UHFFFAOYSA-N 2 1 394.401 3.558 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001167841391 842413017 /nfs/dbraw/zinc/41/30/17/842413017.db2.gz MBDYXVHYBYGFSQ-HZPDHXFCSA-N 2 1 377.520 3.731 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001167841735 842420118 /nfs/dbraw/zinc/42/01/18/842420118.db2.gz PUXKHWHHYMORPP-SFHVURJKSA-N 2 1 379.976 3.998 20 0 GHADMP Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026198564 842426930 /nfs/dbraw/zinc/42/69/30/842426930.db2.gz ANPSOBQLXNXKSK-FQEVSTJZSA-N 2 1 379.548 3.596 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCCO1 ZINC000432422756 842444327 /nfs/dbraw/zinc/44/43/27/842444327.db2.gz GPCJXGGIHGPSBG-YJBOKZPZSA-N 2 1 397.357 3.753 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CCCO1 ZINC000432422756 842444333 /nfs/dbraw/zinc/44/43/33/842444333.db2.gz GPCJXGGIHGPSBG-YJBOKZPZSA-N 2 1 397.357 3.753 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(C(F)F)cc1 ZINC000430677825 842454532 /nfs/dbraw/zinc/45/45/32/842454532.db2.gz HFVRSKVSMPXWKF-UHFFFAOYSA-N 2 1 393.522 3.893 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887540 842464089 /nfs/dbraw/zinc/46/40/89/842464089.db2.gz UUKBJDANKZWMRZ-ICSRJNTNSA-N 2 1 376.541 3.553 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887540 842464093 /nfs/dbraw/zinc/46/40/93/842464093.db2.gz UUKBJDANKZWMRZ-ICSRJNTNSA-N 2 1 376.541 3.553 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887540 842464096 /nfs/dbraw/zinc/46/40/96/842464096.db2.gz UUKBJDANKZWMRZ-ICSRJNTNSA-N 2 1 376.541 3.553 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000648162145 842648289 /nfs/dbraw/zinc/64/82/89/842648289.db2.gz LTRRWVXPDCIJEY-NHCUHLMSSA-N 2 1 397.950 3.523 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@H]1c1ccc(Cl)cc1 ZINC000648162145 842648294 /nfs/dbraw/zinc/64/82/94/842648294.db2.gz LTRRWVXPDCIJEY-NHCUHLMSSA-N 2 1 397.950 3.523 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)[C@@H](C)C1 ZINC000248523085 842688221 /nfs/dbraw/zinc/68/82/21/842688221.db2.gz SJDQKRXZAJIHCX-DAYGRLMNSA-N 2 1 399.373 3.942 20 0 GHADMP CC(CC[NH+]1CCC[C@H](OC(F)F)C1)CC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000663724032 842910456 /nfs/dbraw/zinc/91/04/56/842910456.db2.gz LOCZQKCVUXHNCV-HOTGVXAUSA-N 2 1 384.458 3.810 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000684508697 842988672 /nfs/dbraw/zinc/98/86/72/842988672.db2.gz SSXILABFEODWGF-QNGMFEMESA-N 2 1 399.579 3.687 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000152017858 843019927 /nfs/dbraw/zinc/01/99/27/843019927.db2.gz VZHSRBIEFQZVHQ-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000152018101 843024463 /nfs/dbraw/zinc/02/44/63/843024463.db2.gz VZHSRBIEFQZVHQ-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662280352 843061463 /nfs/dbraw/zinc/06/14/63/843061463.db2.gz OIRLZRCZXDCXAX-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662280352 843061473 /nfs/dbraw/zinc/06/14/73/843061473.db2.gz OIRLZRCZXDCXAX-HXUWFJFHSA-N 2 1 376.422 3.925 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C(C)C)cc1Cl ZINC000555598464 861381461 /nfs/dbraw/zinc/38/14/61/861381461.db2.gz VIWSWPMWQCMQBL-GCJKJVERSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C(C)C)cc1Cl ZINC000555598464 861381468 /nfs/dbraw/zinc/38/14/68/861381468.db2.gz VIWSWPMWQCMQBL-GCJKJVERSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C(C)C)cc1Cl ZINC000555598464 861381483 /nfs/dbraw/zinc/38/14/83/861381483.db2.gz VIWSWPMWQCMQBL-GCJKJVERSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C(C)C)cc1Cl ZINC000555598464 861381492 /nfs/dbraw/zinc/38/14/92/861381492.db2.gz VIWSWPMWQCMQBL-GCJKJVERSA-N 2 1 394.987 3.929 20 0 GHADMP c1c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)onc1-c1ccccc1 ZINC000662327695 843155579 /nfs/dbraw/zinc/15/55/79/843155579.db2.gz TZWAWTFFAQLWJD-UHFFFAOYSA-N 2 1 391.519 3.911 20 0 GHADMP C[NH2+][C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(Cl)c1Cl ZINC000662474400 843303506 /nfs/dbraw/zinc/30/35/06/843303506.db2.gz ZOAXHTUOQFDQOV-GOSISDBHSA-N 2 1 384.351 3.588 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000512277309 843304008 /nfs/dbraw/zinc/30/40/08/843304008.db2.gz ZMMPSPKXRQWXPG-UHFFFAOYSA-N 2 1 383.561 3.614 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000512277309 843304024 /nfs/dbraw/zinc/30/40/24/843304024.db2.gz ZMMPSPKXRQWXPG-UHFFFAOYSA-N 2 1 383.561 3.614 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512523 843374145 /nfs/dbraw/zinc/37/41/45/843374145.db2.gz RBFFIRGTKZNLMO-YWZLYKJASA-N 2 1 387.886 3.505 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512521 843374816 /nfs/dbraw/zinc/37/48/16/843374816.db2.gz RBFFIRGTKZNLMO-MGPUTAFESA-N 2 1 387.886 3.505 20 0 GHADMP CCN(C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000432671598 843407532 /nfs/dbraw/zinc/40/75/32/843407532.db2.gz RTNJWEPHTZJRPP-HXUWFJFHSA-N 2 1 389.609 3.873 20 0 GHADMP CCN(C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000432671598 843407535 /nfs/dbraw/zinc/40/75/35/843407535.db2.gz RTNJWEPHTZJRPP-HXUWFJFHSA-N 2 1 389.609 3.873 20 0 GHADMP Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431012483 843407626 /nfs/dbraw/zinc/40/76/26/843407626.db2.gz GSTDLZOCKAHJPB-UHFFFAOYSA-N 2 1 379.504 3.801 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662591430 843425800 /nfs/dbraw/zinc/42/58/00/843425800.db2.gz SUXKXJJNYNVIIY-NHCUHLMSSA-N 2 1 398.595 3.731 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675176 843513550 /nfs/dbraw/zinc/51/35/50/843513550.db2.gz KDARGATYTBFIAS-BTYIYWSLSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)cc2)C1 ZINC000662675176 843513562 /nfs/dbraw/zinc/51/35/62/843513562.db2.gz KDARGATYTBFIAS-BTYIYWSLSA-N 2 1 387.474 3.513 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)c1cc(C(C)(C)[NH3+])no1)C1CCCCC1 ZINC000662690570 843525724 /nfs/dbraw/zinc/52/57/24/843525724.db2.gz BEXLXCONWHYUJX-UHFFFAOYSA-N 2 1 384.524 3.563 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]([NH3+])c3ccc(F)cc3F)c2)CC1 ZINC000662698691 843531926 /nfs/dbraw/zinc/53/19/26/843531926.db2.gz PSPGEHIDFVVYLI-NRFANRHFSA-N 2 1 387.474 3.513 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000165631479 843603627 /nfs/dbraw/zinc/60/36/27/843603627.db2.gz WEWSDGROIDGMJA-UHFFFAOYSA-N 2 1 383.511 3.623 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000512392154 843624357 /nfs/dbraw/zinc/62/43/57/843624357.db2.gz SIDCPDDBOIXGKN-XZOQPEGZSA-N 2 1 380.532 3.830 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303211788 843714901 /nfs/dbraw/zinc/71/49/01/843714901.db2.gz RHHFRTRVPRGRNB-QHCPKHFHSA-N 2 1 382.548 3.579 20 0 GHADMP O=C(OCc1cccc(C[NH+]2CCCCC2)c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000840581625 861449097 /nfs/dbraw/zinc/44/90/97/861449097.db2.gz YYJCQRCZAFFCCD-UHFFFAOYSA-N 2 1 376.460 3.610 20 0 GHADMP CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)c(O)c(=O)c1 ZINC000663829270 843777833 /nfs/dbraw/zinc/77/78/33/843777833.db2.gz PZERAGHZFXDIIB-HXUWFJFHSA-N 2 1 380.532 3.830 20 0 GHADMP COc1cccc(CCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512438610 843807965 /nfs/dbraw/zinc/80/79/65/843807965.db2.gz HTXWDPFODAMUPG-DEOSSOPVSA-N 2 1 393.575 3.520 20 0 GHADMP Fc1ccc(SCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512456687 843859182 /nfs/dbraw/zinc/85/91/82/843859182.db2.gz ONIFDURLKFXTLO-JOCHJYFZSA-N 2 1 399.579 3.810 20 0 GHADMP Fc1ccc(SCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512456687 843859190 /nfs/dbraw/zinc/85/91/90/843859190.db2.gz ONIFDURLKFXTLO-JOCHJYFZSA-N 2 1 399.579 3.810 20 0 GHADMP C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000022549204 843990916 /nfs/dbraw/zinc/99/09/16/843990916.db2.gz NJORIFSKGJWQSX-NZQKXSOJSA-N 2 1 377.532 3.729 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000022549204 843990925 /nfs/dbraw/zinc/99/09/25/843990925.db2.gz NJORIFSKGJWQSX-NZQKXSOJSA-N 2 1 377.532 3.729 20 0 GHADMP COc1cc(C[NH+](C)C[C@H]2CCCCO2)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000432937425 844679048 /nfs/dbraw/zinc/67/90/48/844679048.db2.gz KMRLLWWZFQUCMZ-FGZHOGPDSA-N 2 1 390.568 3.697 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@H]3/C=C/c3ccccc3)cn2)CC1 ZINC000535825900 844706976 /nfs/dbraw/zinc/70/69/76/844706976.db2.gz ZBULIXZGJMHDTP-RGPPVUSESA-N 2 1 391.563 3.686 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@H]3/C=C/c3ccccc3)cn2)CC1 ZINC000535825900 844706985 /nfs/dbraw/zinc/70/69/85/844706985.db2.gz ZBULIXZGJMHDTP-RGPPVUSESA-N 2 1 391.563 3.686 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCc2cn3cccc(C)c3n2)cc1 ZINC000673725865 861495986 /nfs/dbraw/zinc/49/59/86/861495986.db2.gz QKAOJZCZDFQRFG-UHFFFAOYSA-N 2 1 378.520 3.847 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000152135234 844835737 /nfs/dbraw/zinc/83/57/37/844835737.db2.gz FFZORYGKXIXWQX-QGZVFWFLSA-N 2 1 383.540 3.758 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000179305433 861528175 /nfs/dbraw/zinc/52/81/75/861528175.db2.gz BSAXEHBTVLRANU-PMACEKPBSA-N 2 1 386.927 3.969 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000179305433 861528186 /nfs/dbraw/zinc/52/81/86/861528186.db2.gz BSAXEHBTVLRANU-PMACEKPBSA-N 2 1 386.927 3.969 20 0 GHADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](Cc3ccccn3)c3cccnc3)C2)cc1 ZINC000513344261 845273439 /nfs/dbraw/zinc/27/34/39/845273439.db2.gz YXZYKVJLTYYCNH-RCZVLFRGSA-N 2 1 386.543 3.915 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H](Cc3ccccn3)c3cccnc3)C2)cc1 ZINC000513344261 845273452 /nfs/dbraw/zinc/27/34/52/845273452.db2.gz YXZYKVJLTYYCNH-RCZVLFRGSA-N 2 1 386.543 3.915 20 0 GHADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248390633 845293819 /nfs/dbraw/zinc/29/38/19/845293819.db2.gz BLOHSYNRYSZXLC-MLDBQTBOSA-N 2 1 380.532 3.619 20 0 GHADMP COCCOc1ccc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cc1OC ZINC000433761915 845321111 /nfs/dbraw/zinc/32/11/11/845321111.db2.gz HVWNOKVGJGRVQE-LJQANCHMSA-N 2 1 399.535 3.551 20 0 GHADMP COCCOc1ccc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cc1OC ZINC000433761915 845321128 /nfs/dbraw/zinc/32/11/28/845321128.db2.gz HVWNOKVGJGRVQE-LJQANCHMSA-N 2 1 399.535 3.551 20 0 GHADMP CC(C)Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000513390358 845341402 /nfs/dbraw/zinc/34/14/02/845341402.db2.gz OPSIDCJNRXFRES-QIJUGHKUSA-N 2 1 388.600 3.612 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OCc4ccc(C)cc4)cc3)C2)CC1 ZINC000093133265 845492134 /nfs/dbraw/zinc/49/21/34/845492134.db2.gz VMDSQGJTABWFLY-DEOSSOPVSA-N 2 1 393.575 3.786 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](C)C[NH+]3CCCC3)c2)cc1 ZINC000048749213 845518168 /nfs/dbraw/zinc/51/81/68/845518168.db2.gz DUZSSTUUQUZNRO-SFHVURJKSA-N 2 1 381.520 3.769 20 0 GHADMP C[N@@H+](C[C@H]1CN(C2CCCCC2)C(=O)O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167503725 845521254 /nfs/dbraw/zinc/52/12/54/845521254.db2.gz CWHGMKMQUGXQKM-UNMCSNQZSA-N 2 1 385.552 3.594 20 0 GHADMP C[N@H+](C[C@H]1CN(C2CCCCC2)C(=O)O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167503725 845521260 /nfs/dbraw/zinc/52/12/60/845521260.db2.gz CWHGMKMQUGXQKM-UNMCSNQZSA-N 2 1 385.552 3.594 20 0 GHADMP C[NH+](C[C@H]1CN(C2CCCCC2)C(=O)O1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001167503725 845521265 /nfs/dbraw/zinc/52/12/65/845521265.db2.gz CWHGMKMQUGXQKM-UNMCSNQZSA-N 2 1 385.552 3.594 20 0 GHADMP C[NH+](C[C@H]1CN(C2CCCCC2)C(=O)O1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001167503725 845521271 /nfs/dbraw/zinc/52/12/71/845521271.db2.gz CWHGMKMQUGXQKM-UNMCSNQZSA-N 2 1 385.552 3.594 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000513495342 845528392 /nfs/dbraw/zinc/52/83/92/845528392.db2.gz OLOKZAURHOGWPK-AZUAARDMSA-N 2 1 375.520 3.862 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000472070099 845691984 /nfs/dbraw/zinc/69/19/84/845691984.db2.gz ZCVBSUNAAPWNGN-IFMALSPDSA-N 2 1 388.600 3.660 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC000511058326 846139336 /nfs/dbraw/zinc/13/93/36/846139336.db2.gz FONNTECOXOSFDZ-JOCHJYFZSA-N 2 1 393.522 3.537 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472144164 846159914 /nfs/dbraw/zinc/15/99/14/846159914.db2.gz MZYFVNIMDVWDOM-RBUKOAKNSA-N 2 1 385.552 3.551 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc(Br)c1O ZINC000513638061 846177958 /nfs/dbraw/zinc/17/79/58/846177958.db2.gz OUYWUSZJFOYUGM-AWEZNQCLSA-N 2 1 385.346 3.765 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000157848225 846223477 /nfs/dbraw/zinc/22/34/77/846223477.db2.gz YKONFYBSQTUMPE-ZWKOTPCHSA-N 2 1 391.556 3.665 20 0 GHADMP C[C@H](c1ccncc1)[NH+]1CCC(NCc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280434364 846405898 /nfs/dbraw/zinc/40/58/98/846405898.db2.gz XRBPNTJPBUNKGF-QGZVFWFLSA-N 2 1 379.483 3.722 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4ccc(C)nc43)CC2)CC1 ZINC000582130936 846443072 /nfs/dbraw/zinc/44/30/72/846443072.db2.gz RRPUYIVWTHCFMV-UHFFFAOYSA-N 2 1 380.536 3.678 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]Cc3ccc(O[C@@H]4CCOC4)cc3)C2)cc1 ZINC000657354140 846473100 /nfs/dbraw/zinc/47/31/00/846473100.db2.gz QSOZGJPCCATUKL-ISKFKSNPSA-N 2 1 380.532 3.509 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000502862005 846568375 /nfs/dbraw/zinc/56/83/75/846568375.db2.gz NWIMOWYZDDHYOE-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000502862005 846568380 /nfs/dbraw/zinc/56/83/80/846568380.db2.gz NWIMOWYZDDHYOE-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000502862005 846568386 /nfs/dbraw/zinc/56/83/86/846568386.db2.gz NWIMOWYZDDHYOE-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063319 846594815 /nfs/dbraw/zinc/59/48/15/846594815.db2.gz NXMPLGPKXPBOGL-JOCHJYFZSA-N 2 1 396.535 3.656 20 0 GHADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000421857700 846624880 /nfs/dbraw/zinc/62/48/80/846624880.db2.gz POHCSIGKXMOFQM-RBBKRZOGSA-N 2 1 386.580 3.853 20 0 GHADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000501085467 846629887 /nfs/dbraw/zinc/62/98/87/846629887.db2.gz ZSJOSVUZKCWDDE-QFIPXVFZSA-N 2 1 396.510 3.565 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@@H+]1C ZINC000389226847 861718130 /nfs/dbraw/zinc/71/81/30/861718130.db2.gz WOSRDFQRRPYIML-ZYHUDNBSSA-N 2 1 381.236 3.920 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC[N@H+]1C ZINC000389226847 861718143 /nfs/dbraw/zinc/71/81/43/861718143.db2.gz WOSRDFQRRPYIML-ZYHUDNBSSA-N 2 1 381.236 3.920 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000582319245 846859311 /nfs/dbraw/zinc/85/93/11/846859311.db2.gz MGSXXFUXYISODN-MSYCTHLASA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(-n2ccnn2)c1 ZINC000582319245 846859312 /nfs/dbraw/zinc/85/93/12/846859312.db2.gz MGSXXFUXYISODN-MSYCTHLASA-N 2 1 375.520 3.829 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000513713031 846891536 /nfs/dbraw/zinc/89/15/36/846891536.db2.gz JCQSIQDMKXBPFI-YDPRHXJPSA-N 2 1 377.532 3.825 20 0 GHADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000420325880 847125184 /nfs/dbraw/zinc/12/51/84/847125184.db2.gz WXBNKHYAHBGVJU-GFCCVEGCSA-N 2 1 377.838 3.619 20 0 GHADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420412007 847175898 /nfs/dbraw/zinc/17/58/98/847175898.db2.gz ZAGYOYSZFLAQST-XZOQPEGZSA-N 2 1 391.559 3.698 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420412007 847175904 /nfs/dbraw/zinc/17/59/04/847175904.db2.gz ZAGYOYSZFLAQST-XZOQPEGZSA-N 2 1 391.559 3.698 20 0 GHADMP C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272897231 847202238 /nfs/dbraw/zinc/20/22/38/847202238.db2.gz JEPKHAWLXMYWGX-SIKLNZKXSA-N 2 1 383.580 3.668 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000501804461 847203718 /nfs/dbraw/zinc/20/37/18/847203718.db2.gz KVYBBOWHBJTFTI-KRWDZBQOSA-N 2 1 395.975 3.737 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501857141 847282196 /nfs/dbraw/zinc/28/21/96/847282196.db2.gz UHPPLEOLJRFRRP-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000126371172 847421673 /nfs/dbraw/zinc/42/16/73/847421673.db2.gz WVCBPQKHIXDFNS-OXJNMPFZSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420799503 847439957 /nfs/dbraw/zinc/43/99/57/847439957.db2.gz NHMBVBYHSCZKKO-XTWGIRIWSA-N 2 1 386.584 3.733 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000420913898 847522044 /nfs/dbraw/zinc/52/20/44/847522044.db2.gz BLXYXKACYMJBKI-SFHVURJKSA-N 2 1 384.520 3.777 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000481584405 861801117 /nfs/dbraw/zinc/80/11/17/861801117.db2.gz SQPZKYXJBNEMDV-JBYIUTFZSA-N 2 1 379.504 3.514 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000481584405 861801135 /nfs/dbraw/zinc/80/11/35/861801135.db2.gz SQPZKYXJBNEMDV-JBYIUTFZSA-N 2 1 379.504 3.514 20 0 GHADMP OCC1([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)CCCC1 ZINC000420971867 847599111 /nfs/dbraw/zinc/59/91/11/847599111.db2.gz LCJJDKBUUDKGHF-XMMPIXPASA-N 2 1 394.559 3.902 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC000420977001 847603180 /nfs/dbraw/zinc/60/31/80/847603180.db2.gz HLLNKBDHLPQXTK-UHFFFAOYSA-N 3 1 398.639 3.665 20 0 GHADMP OCC1([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2ccccc2)CCC1 ZINC000420980268 847606512 /nfs/dbraw/zinc/60/65/12/847606512.db2.gz WIWKUCNKCJWFEB-HSZRJFAPSA-N 2 1 380.532 3.512 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503392791 847657010 /nfs/dbraw/zinc/65/70/10/847657010.db2.gz QIJAQTWIXAVPFX-BDTNDASRSA-N 2 1 392.632 3.652 20 0 GHADMP COc1cc(C)c(C[C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1OC ZINC000502258810 847666210 /nfs/dbraw/zinc/66/62/10/847666210.db2.gz VEFXAYBFGMWXRK-SFHVURJKSA-N 2 1 383.536 3.905 20 0 GHADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422697939 847772342 /nfs/dbraw/zinc/77/23/42/847772342.db2.gz WXYPIUMUPDAFCJ-ISKFKSNPSA-N 2 1 379.548 3.874 20 0 GHADMP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000422690832 847782529 /nfs/dbraw/zinc/78/25/29/847782529.db2.gz GYCFQSDTNFKQLZ-XUVXKRRUSA-N 2 1 397.519 3.519 20 0 GHADMP COc1ccc([C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422851902 847854642 /nfs/dbraw/zinc/85/46/42/847854642.db2.gz XMESBZYVWAKNMX-GOTSBHOMSA-N 2 1 380.532 3.826 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842490 847862883 /nfs/dbraw/zinc/86/28/83/847862883.db2.gz YJNSHHNFDROIJW-HXNUEKDGSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842490 847862892 /nfs/dbraw/zinc/86/28/92/847862892.db2.gz YJNSHHNFDROIJW-HXNUEKDGSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842490 847862901 /nfs/dbraw/zinc/86/29/01/847862901.db2.gz YJNSHHNFDROIJW-HXNUEKDGSA-N 3 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842490 847862913 /nfs/dbraw/zinc/86/29/13/847862913.db2.gz YJNSHHNFDROIJW-HXNUEKDGSA-N 3 1 391.559 3.743 20 0 GHADMP COc1ccc([C@@H](NCc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422896749 847889852 /nfs/dbraw/zinc/88/98/52/847889852.db2.gz AWRNHBVEGUFZJN-FYYLOGMGSA-N 2 1 394.494 3.911 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])c2)n1 ZINC000423071422 847962427 /nfs/dbraw/zinc/96/24/27/847962427.db2.gz HUNBHUDZWHFINV-DNVCBOLYSA-N 2 1 395.528 3.645 20 0 GHADMP CCO[C@H](C[NH+]1CCCC2(CCC[N@H+](C[C@@H](OCC)C3CC3)C2)C1)C1CC1 ZINC000625434259 861875644 /nfs/dbraw/zinc/87/56/44/861875644.db2.gz LGAIBVDFPMFQQG-WELAQSEPSA-N 2 1 378.601 3.795 20 0 GHADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1C(F)(F)F ZINC000657594423 848283418 /nfs/dbraw/zinc/28/34/18/848283418.db2.gz AEYGLPBLERPFML-LJQANCHMSA-N 2 1 378.438 3.870 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cccc3N3CCCC3)cc2)C1 ZINC000657595325 848287402 /nfs/dbraw/zinc/28/74/02/848287402.db2.gz HAMKSAXJAAEHGD-FQEVSTJZSA-N 2 1 399.966 3.797 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c4cccnc34)cc2)C1 ZINC000657594862 848288935 /nfs/dbraw/zinc/28/89/35/848288935.db2.gz DSYMNUZWCXBUOC-LJQANCHMSA-N 2 1 381.907 3.745 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657613897 848342861 /nfs/dbraw/zinc/34/28/61/848342861.db2.gz WDFVYTFSANLKOF-OFVILXPXSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657613897 848342868 /nfs/dbraw/zinc/34/28/68/848342868.db2.gz WDFVYTFSANLKOF-OFVILXPXSA-N 3 1 392.591 3.936 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657690608 848634817 /nfs/dbraw/zinc/63/48/17/848634817.db2.gz PLCDCBCEYOIBMP-ZRBLBEILSA-N 2 1 378.564 3.918 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000657690608 848634822 /nfs/dbraw/zinc/63/48/22/848634822.db2.gz PLCDCBCEYOIBMP-ZRBLBEILSA-N 2 1 378.564 3.918 20 0 GHADMP c1ccc(C[NH+]2CCC(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cc1 ZINC000192358159 861929275 /nfs/dbraw/zinc/92/92/75/861929275.db2.gz JSMFETRWZNNSJW-VWLOTQADSA-N 2 1 393.575 3.532 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000548779937 848748811 /nfs/dbraw/zinc/74/88/11/848748811.db2.gz XJKRCKVRORHJQB-GOSISDBHSA-N 2 1 399.292 3.952 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000237957988 848870488 /nfs/dbraw/zinc/87/04/88/848870488.db2.gz FWXMVRPRHLXGFB-OAQYLSRUSA-N 2 1 397.588 3.744 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000237957988 848870490 /nfs/dbraw/zinc/87/04/90/848870490.db2.gz FWXMVRPRHLXGFB-OAQYLSRUSA-N 2 1 397.588 3.744 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511230852 848998586 /nfs/dbraw/zinc/99/85/86/848998586.db2.gz GOWPUCBSBWYXRX-QKNQBKEWSA-N 2 1 378.605 3.593 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230852 848998592 /nfs/dbraw/zinc/99/85/92/848998592.db2.gz GOWPUCBSBWYXRX-QKNQBKEWSA-N 2 1 378.605 3.593 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230852 848998599 /nfs/dbraw/zinc/99/85/99/848998599.db2.gz GOWPUCBSBWYXRX-QKNQBKEWSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](O)[C@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1F ZINC000583089208 849043420 /nfs/dbraw/zinc/04/34/20/849043420.db2.gz NBNGUFLLSUDHSS-AQKFKSFVSA-N 2 1 384.495 3.825 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)CC2)[nH+]c1 ZINC000153989320 849155957 /nfs/dbraw/zinc/15/59/57/849155957.db2.gz YEKOMWXKRXSIBY-UHFFFAOYSA-N 2 1 398.595 3.721 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604206438 861990483 /nfs/dbraw/zinc/99/04/83/861990483.db2.gz QDQLEPLGTSSMDN-OAQYLSRUSA-N 2 1 386.584 3.729 20 0 GHADMP Cn1cc(CC[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000625466435 862012875 /nfs/dbraw/zinc/01/28/75/862012875.db2.gz STHHTAQGIIAQBF-QHCPKHFHSA-N 2 1 381.568 3.514 20 0 GHADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423109868 849757735 /nfs/dbraw/zinc/75/77/35/849757735.db2.gz TVMPIHVETKVDCH-XJKSGUPXSA-N 2 1 392.487 3.509 20 0 GHADMP C[N@H+](Cc1ccccc1)C1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156930 849767072 /nfs/dbraw/zinc/76/70/72/849767072.db2.gz UOVPQEDQTLDDOJ-WIOPSUGQSA-N 2 1 391.559 3.887 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000423156930 849767080 /nfs/dbraw/zinc/76/70/80/849767080.db2.gz UOVPQEDQTLDDOJ-WIOPSUGQSA-N 2 1 391.559 3.887 20 0 GHADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000434894187 849863965 /nfs/dbraw/zinc/86/39/65/849863965.db2.gz FTEDDIQGTXWXNP-YKSBVNFPSA-N 2 1 391.559 3.777 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)C1 ZINC000414737229 849882039 /nfs/dbraw/zinc/88/20/39/849882039.db2.gz AHKXUWITXYJZDH-JTSKRJEESA-N 2 1 397.950 3.637 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cnn1-c1cc(C)ccc1C ZINC000423502485 849945376 /nfs/dbraw/zinc/94/53/76/849945376.db2.gz FBOMHMDNBSVQNJ-KPQWGBOZSA-N 2 1 395.595 3.665 20 0 GHADMP COc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)cc1 ZINC000423507988 849948898 /nfs/dbraw/zinc/94/88/98/849948898.db2.gz KHSCJWXNUVWVQC-IWAAJCSBSA-N 2 1 379.548 3.591 20 0 GHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)c2)CC1 ZINC000504208207 849959660 /nfs/dbraw/zinc/95/96/60/849959660.db2.gz QIHBWFVWSRCKMM-JOCHJYFZSA-N 2 1 384.568 3.563 20 0 GHADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(SCC(F)F)cc1 ZINC000423526461 849968541 /nfs/dbraw/zinc/96/85/41/849968541.db2.gz ZJZYYSNWYGEOAB-FAEJEUNOSA-N 2 1 383.552 3.911 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000423834965 850069726 /nfs/dbraw/zinc/06/97/26/850069726.db2.gz VACYKOZMHOHQNB-LVXYXVKQSA-N 2 1 387.474 3.938 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000423834965 850069734 /nfs/dbraw/zinc/06/97/34/850069734.db2.gz VACYKOZMHOHQNB-LVXYXVKQSA-N 2 1 387.474 3.938 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000518827578 850212772 /nfs/dbraw/zinc/21/27/72/850212772.db2.gz ZBZRUHPSANVPCE-UHFFFAOYSA-N 2 1 385.405 3.860 20 0 GHADMP CC(C)n1cncc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000424177695 850264326 /nfs/dbraw/zinc/26/43/26/850264326.db2.gz QFEQQGMPNZTLMC-BGYRXZFFSA-N 2 1 384.568 3.763 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000514817217 850343726 /nfs/dbraw/zinc/34/37/26/850343726.db2.gz AKNLONUXRLPXAX-ZCVJKFOLSA-N 2 1 380.532 3.618 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC[NH2+]CC2 ZINC000424386039 850425555 /nfs/dbraw/zinc/42/55/55/850425555.db2.gz WTKQOKJKDLRHQW-LJQANCHMSA-N 2 1 387.531 3.898 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439958446 850629846 /nfs/dbraw/zinc/62/98/46/850629846.db2.gz GUHBAPUODUPSNM-XGBAPZKQSA-N 2 1 381.564 3.705 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439958446 850629848 /nfs/dbraw/zinc/62/98/48/850629848.db2.gz GUHBAPUODUPSNM-XGBAPZKQSA-N 2 1 381.564 3.705 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439958446 850629856 /nfs/dbraw/zinc/62/98/56/850629856.db2.gz GUHBAPUODUPSNM-XGBAPZKQSA-N 2 1 381.564 3.705 20 0 GHADMP Fc1ccc(OCCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687267 850753114 /nfs/dbraw/zinc/75/31/14/850753114.db2.gz DEIJVNJDHDJOGR-SFHVURJKSA-N 2 1 375.513 3.695 20 0 GHADMP Fc1ccc(OCCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687267 850753125 /nfs/dbraw/zinc/75/31/25/850753125.db2.gz DEIJVNJDHDJOGR-SFHVURJKSA-N 2 1 375.513 3.695 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)[NH+]2CCCCC2)cc1 ZINC000519227219 850761637 /nfs/dbraw/zinc/76/16/37/850761637.db2.gz CPNCTGZEWAEAKN-MBSDFSHPSA-N 2 1 399.579 3.601 20 0 GHADMP COc1ccc2ccccc2c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000519220585 850773586 /nfs/dbraw/zinc/77/35/86/850773586.db2.gz OGVYYYSRGQZSTD-UHFFFAOYSA-N 2 1 379.504 3.864 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891889 850983678 /nfs/dbraw/zinc/98/36/78/850983678.db2.gz NWAUPDDJYADQRC-TZIWHRDSSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000514011089 851117054 /nfs/dbraw/zinc/11/70/54/851117054.db2.gz JXWKWMZUMZKPFX-NFBKMPQASA-N 2 1 394.563 3.643 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000514011089 851117064 /nfs/dbraw/zinc/11/70/64/851117064.db2.gz JXWKWMZUMZKPFX-NFBKMPQASA-N 2 1 394.563 3.643 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514011089 851117072 /nfs/dbraw/zinc/11/70/72/851117072.db2.gz JXWKWMZUMZKPFX-NFBKMPQASA-N 2 1 394.563 3.643 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000514069234 851188672 /nfs/dbraw/zinc/18/86/72/851188672.db2.gz YNOCHTMBPUWMIS-PSWAGMNNSA-N 2 1 391.559 3.732 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[NH+](C)Cc3ccccc3)cc2)C1 ZINC000514085170 851222483 /nfs/dbraw/zinc/22/24/83/851222483.db2.gz VSJWNHJYTYCSDC-FQEVSTJZSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)Cc3ccccc3)cc2)C1 ZINC000514085170 851222489 /nfs/dbraw/zinc/22/24/89/851222489.db2.gz VSJWNHJYTYCSDC-FQEVSTJZSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)C1 ZINC000514085170 851222494 /nfs/dbraw/zinc/22/24/94/851222494.db2.gz VSJWNHJYTYCSDC-FQEVSTJZSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)C1 ZINC000514085170 851222501 /nfs/dbraw/zinc/22/25/01/851222501.db2.gz VSJWNHJYTYCSDC-FQEVSTJZSA-N 2 1 379.548 3.667 20 0 GHADMP CC(C)(C)C(=O)N1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167967920 851235446 /nfs/dbraw/zinc/23/54/46/851235446.db2.gz LDGYAOCUADHOQR-SEJPIABJSA-N 2 1 375.601 3.656 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)c2)cc1 ZINC000514097080 851258749 /nfs/dbraw/zinc/25/87/49/851258749.db2.gz ZTQBFCQTHGGAJJ-VXNXHJTFSA-N 2 1 391.559 3.887 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000488202804 851266141 /nfs/dbraw/zinc/26/61/41/851266141.db2.gz OXGIGKWMKVSICH-IBGZPJMESA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488202804 851266152 /nfs/dbraw/zinc/26/61/52/851266152.db2.gz OXGIGKWMKVSICH-IBGZPJMESA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488202804 851266164 /nfs/dbraw/zinc/26/61/64/851266164.db2.gz OXGIGKWMKVSICH-IBGZPJMESA-N 2 1 386.584 3.543 20 0 GHADMP COC(=O)[C@H](CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000425482481 851283107 /nfs/dbraw/zinc/28/31/07/851283107.db2.gz QTLDAMAJTWEVFW-OAQYLSRUSA-N 2 1 381.520 3.746 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000514161444 851316985 /nfs/dbraw/zinc/31/69/85/851316985.db2.gz AMWOUBQAXSHPOD-ZWKOTPCHSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436289501 851422757 /nfs/dbraw/zinc/42/27/57/851422757.db2.gz XEHGYXIELRMKTG-FCJDFRRUSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436289501 851422763 /nfs/dbraw/zinc/42/27/63/851422763.db2.gz XEHGYXIELRMKTG-FCJDFRRUSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)cc2)CC1 ZINC000436294585 851429406 /nfs/dbraw/zinc/42/94/06/851429406.db2.gz XPLHCVWORAAKFK-VWNXMTODSA-N 2 1 391.559 3.575 20 0 GHADMP Clc1ccc(OCc2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000261918909 851464745 /nfs/dbraw/zinc/46/47/45/851464745.db2.gz BLKTVUDRQWNGSE-UHFFFAOYSA-N 2 1 377.941 3.951 20 0 GHADMP Clc1ccc(OCc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000261918909 851464756 /nfs/dbraw/zinc/46/47/56/851464756.db2.gz BLKTVUDRQWNGSE-UHFFFAOYSA-N 2 1 377.941 3.951 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000515806534 851496061 /nfs/dbraw/zinc/49/60/61/851496061.db2.gz ZDNKOGSCADLVGA-LJQANCHMSA-N 2 1 392.613 3.647 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000515845926 851557760 /nfs/dbraw/zinc/55/77/60/851557760.db2.gz XYMAAHQLAIKXRS-STQMWFEESA-N 2 1 389.284 3.872 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111507500 851720968 /nfs/dbraw/zinc/72/09/68/851720968.db2.gz CIWHTYQWSPVOAM-NOTZXAQLSA-N 2 1 398.595 3.602 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000550143230 851743069 /nfs/dbraw/zinc/74/30/69/851743069.db2.gz XTXINLFOJJYBRO-VQTJNVASSA-N 2 1 394.600 3.902 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)c1 ZINC000473733231 851787654 /nfs/dbraw/zinc/78/76/54/851787654.db2.gz KXEXQUXXEFKSAM-VXKWHMMOSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000473733231 851787660 /nfs/dbraw/zinc/78/76/60/851787660.db2.gz KXEXQUXXEFKSAM-VXKWHMMOSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000473733231 851787665 /nfs/dbraw/zinc/78/76/65/851787665.db2.gz KXEXQUXXEFKSAM-VXKWHMMOSA-N 2 1 386.584 3.735 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H]2CCNC(=O)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835731 851793182 /nfs/dbraw/zinc/79/31/82/851793182.db2.gz GNTIXCDWUWUZGJ-REWPJTCUSA-N 2 1 383.580 3.525 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1)c1ccc(F)cc1 ZINC001167975531 851800576 /nfs/dbraw/zinc/80/05/76/851800576.db2.gz RDFVEXGWJCXXAV-CKSHBVQHSA-N 2 1 399.554 3.862 20 0 GHADMP Cn1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000664836840 851865958 /nfs/dbraw/zinc/86/59/58/851865958.db2.gz QBVGRGHIOZMZJT-QHCPKHFHSA-N 2 1 379.548 3.508 20 0 GHADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000111814067 851953797 /nfs/dbraw/zinc/95/37/97/851953797.db2.gz FWTNJMJFVWVAHS-IBGZPJMESA-N 2 1 386.584 3.733 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(C)c1OC ZINC000570359143 852055624 /nfs/dbraw/zinc/05/56/24/852055624.db2.gz ACMNSYMGFUZBDX-KRWDZBQOSA-N 2 1 384.520 3.523 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)c1OC ZINC000570359143 852055630 /nfs/dbraw/zinc/05/56/30/852055630.db2.gz ACMNSYMGFUZBDX-KRWDZBQOSA-N 2 1 384.520 3.523 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1C(F)(F)F ZINC000517557016 852095203 /nfs/dbraw/zinc/09/52/03/852095203.db2.gz ZGBVEDFGXXSNKZ-UYAOXDASSA-N 2 1 392.465 3.721 20 0 GHADMP C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000517639273 852195789 /nfs/dbraw/zinc/19/57/89/852195789.db2.gz HERQTZTYCQYAHB-SFHVURJKSA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000517639273 852195796 /nfs/dbraw/zinc/19/57/96/852195796.db2.gz HERQTZTYCQYAHB-SFHVURJKSA-N 2 1 397.588 3.523 20 0 GHADMP CCCn1ccc2ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCC[N@H+]3CC)cc21 ZINC000438286837 852225928 /nfs/dbraw/zinc/22/59/28/852225928.db2.gz XIBRWVSRRSBPRX-NRFANRHFSA-N 2 1 399.583 3.931 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1sc(C)nc1CC(C)C ZINC000473840237 852227700 /nfs/dbraw/zinc/22/77/00/852227700.db2.gz CILPZDPSOSVFLY-QGZVFWFLSA-N 2 1 395.617 3.530 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(-c3ccccc3)o2)CC1 ZINC000516207758 852290087 /nfs/dbraw/zinc/29/00/87/852290087.db2.gz JYIAODSDEOWUDX-UHFFFAOYSA-N 2 1 390.487 3.665 20 0 GHADMP Cc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c(Br)c1 ZINC001212142625 852325916 /nfs/dbraw/zinc/32/59/16/852325916.db2.gz OUJZTUZAOGCIMT-HNNXBMFYSA-N 2 1 381.318 3.976 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000489436164 852336855 /nfs/dbraw/zinc/33/68/55/852336855.db2.gz LUQLSJXWWWOAEC-AUSIDOKSSA-N 2 1 398.595 3.603 20 0 GHADMP COc1cc2c(cc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)oc1ccccc12 ZINC000732569536 862362196 /nfs/dbraw/zinc/36/21/96/862362196.db2.gz PXOULOWVFPANCJ-UHFFFAOYSA-N 2 1 395.503 3.807 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000489856183 852611344 /nfs/dbraw/zinc/61/13/44/852611344.db2.gz WGVYWLZXDWXVSW-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961968 852951569 /nfs/dbraw/zinc/95/15/69/852951569.db2.gz REUDLHQBGKHZSU-PANBIXPWSA-N 2 1 377.573 3.627 20 0 GHADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccco1 ZINC000509574617 852982040 /nfs/dbraw/zinc/98/20/40/852982040.db2.gz SJXYNVMSIIVUHL-CTNGQTDRSA-N 2 1 398.551 3.626 20 0 GHADMP c1coc([C@@H](C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)N2CCCC2)c1 ZINC000507513992 852992724 /nfs/dbraw/zinc/99/27/24/852992724.db2.gz SLAWANMELANLSU-CWBXHPNXSA-N 2 1 379.548 3.917 20 0 GHADMP c1coc([C@@H](CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[NH+]2CCCC2)c1 ZINC000507513992 852992728 /nfs/dbraw/zinc/99/27/28/852992728.db2.gz SLAWANMELANLSU-CWBXHPNXSA-N 2 1 379.548 3.917 20 0 GHADMP c1coc([C@@H](CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[NH+]2CCCC2)c1 ZINC000507513992 852992739 /nfs/dbraw/zinc/99/27/39/852992739.db2.gz SLAWANMELANLSU-CWBXHPNXSA-N 2 1 379.548 3.917 20 0 GHADMP COCC[N@@H+](Cc1cccs1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000506034317 853042180 /nfs/dbraw/zinc/04/21/80/853042180.db2.gz BIMWLUPTBXYJFX-UHFFFAOYSA-N 2 1 387.593 3.927 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000438997675 853186882 /nfs/dbraw/zinc/18/68/82/853186882.db2.gz JMIFRKSFRMKAEA-GHTZIAJQSA-N 2 1 395.547 3.869 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000438997675 853186889 /nfs/dbraw/zinc/18/68/89/853186889.db2.gz JMIFRKSFRMKAEA-GHTZIAJQSA-N 2 1 395.547 3.869 20 0 GHADMP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000414907439 853217711 /nfs/dbraw/zinc/21/77/11/853217711.db2.gz QNENVAMRJHPUTR-INIZCTEOSA-N 2 1 393.272 3.538 20 0 GHADMP C[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491000904 853397128 /nfs/dbraw/zinc/39/71/28/853397128.db2.gz XWPWMHSPWUCZCG-RDPSFJRHSA-N 2 1 381.564 3.567 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(O)c(OC)cc2Br)CC1 ZINC000491079966 853420245 /nfs/dbraw/zinc/42/02/45/853420245.db2.gz UOEKIXGEKWLMDJ-UHFFFAOYSA-N 2 1 385.346 3.717 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000426317664 853433246 /nfs/dbraw/zinc/43/32/46/853433246.db2.gz FRFJADRHQZURIL-LOODEUFTSA-N 2 1 384.495 3.649 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000426317664 853433264 /nfs/dbraw/zinc/43/32/64/853433264.db2.gz FRFJADRHQZURIL-LOODEUFTSA-N 2 1 384.495 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)N2CCc3sccc3C2)cc1 ZINC000570887223 853490244 /nfs/dbraw/zinc/49/02/44/853490244.db2.gz XDGKXFSUYMYIOE-INIZCTEOSA-N 2 1 394.544 3.868 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506152224 853623290 /nfs/dbraw/zinc/62/32/90/853623290.db2.gz GDAHOUWMBXTEMG-HSZRJFAPSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccnc1Cl ZINC000163929997 853634692 /nfs/dbraw/zinc/63/46/92/853634692.db2.gz PGKPXGDAURGZIT-IBGZPJMESA-N 2 1 386.971 3.984 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000604790241 862486944 /nfs/dbraw/zinc/48/69/44/862486944.db2.gz IANQLEWSZBMSKD-VQTJNVASSA-N 2 1 391.559 3.775 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000604790241 862486954 /nfs/dbraw/zinc/48/69/54/862486954.db2.gz IANQLEWSZBMSKD-VQTJNVASSA-N 2 1 391.559 3.775 20 0 GHADMP Cc1c(Br)cccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212145345 853720097 /nfs/dbraw/zinc/72/00/97/853720097.db2.gz QECRJOSLXKDWQY-HNNXBMFYSA-N 2 1 381.318 3.976 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000571565929 853951203 /nfs/dbraw/zinc/95/12/03/853951203.db2.gz NPLFBCIMYODJRS-NEWSRXKRSA-N 2 1 397.485 3.737 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000571668497 853979058 /nfs/dbraw/zinc/97/90/58/853979058.db2.gz YPAQNJBSIQETNT-QHCPKHFHSA-N 2 1 379.548 3.667 20 0 GHADMP O=C(C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000441185271 853989864 /nfs/dbraw/zinc/98/98/64/853989864.db2.gz ZGWCVJCKKZSGRT-YRBAHSOBSA-N 2 1 381.564 3.687 20 0 GHADMP C(CC[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441218310 853991444 /nfs/dbraw/zinc/99/14/44/853991444.db2.gz RJESTXLTOSSEAZ-KAOXLYBCSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441218310 853991447 /nfs/dbraw/zinc/99/14/47/853991447.db2.gz RJESTXLTOSSEAZ-KAOXLYBCSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441218310 853991451 /nfs/dbraw/zinc/99/14/51/853991451.db2.gz RJESTXLTOSSEAZ-KAOXLYBCSA-N 2 1 378.601 3.654 20 0 GHADMP Cc1cc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2n1 ZINC000188314884 854006548 /nfs/dbraw/zinc/00/65/48/854006548.db2.gz FNEDWKAZMMLHKX-DEOSSOPVSA-N 2 1 375.516 3.612 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000058467172 862521832 /nfs/dbraw/zinc/52/18/32/862521832.db2.gz LEUTVAKEOUKHED-HSZRJFAPSA-N 2 1 394.563 3.727 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000058467172 862521837 /nfs/dbraw/zinc/52/18/37/862521837.db2.gz LEUTVAKEOUKHED-HSZRJFAPSA-N 2 1 394.563 3.727 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340496 854109577 /nfs/dbraw/zinc/10/95/77/854109577.db2.gz ZLURWRQRNJCNJV-XZOQPEGZSA-N 2 1 382.548 3.900 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340496 854109581 /nfs/dbraw/zinc/10/95/81/854109581.db2.gz ZLURWRQRNJCNJV-XZOQPEGZSA-N 2 1 382.548 3.900 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340496 854109584 /nfs/dbraw/zinc/10/95/84/854109584.db2.gz ZLURWRQRNJCNJV-XZOQPEGZSA-N 2 1 382.548 3.900 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000441340496 854109588 /nfs/dbraw/zinc/10/95/88/854109588.db2.gz ZLURWRQRNJCNJV-XZOQPEGZSA-N 2 1 382.548 3.900 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(OCCCc3ccccc3)c2)CC1(C)C ZINC000441363474 854145467 /nfs/dbraw/zinc/14/54/67/854145467.db2.gz ZMNGRBROOGEEMO-UHFFFAOYSA-N 2 1 395.591 3.814 20 0 GHADMP Cc1ccc([C@H](Cn2ccnc2)N[C@@H](C)C(=O)NCc2ccccc2C)c(C)c1 ZINC000441368816 854150275 /nfs/dbraw/zinc/15/02/75/854150275.db2.gz BPNDWMLSSADWEV-REWPJTCUSA-N 2 1 390.531 3.844 20 0 GHADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588711283 854370039 /nfs/dbraw/zinc/37/00/39/854370039.db2.gz XYXKGQMLJQHYGD-KURKYZTESA-N 2 1 384.524 3.619 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)CC[N@H+]3C2)cc1 ZINC001167993776 854393579 /nfs/dbraw/zinc/39/35/79/854393579.db2.gz SEBYZQXLLOYTEN-ADXLDSDHSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)CC[NH+]3C2)cc1 ZINC001167993776 854393583 /nfs/dbraw/zinc/39/35/83/854393583.db2.gz SEBYZQXLLOYTEN-ADXLDSDHSA-N 2 1 395.591 3.538 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC[NH+]3C2)cc1 ZINC001167993776 854393587 /nfs/dbraw/zinc/39/35/87/854393587.db2.gz SEBYZQXLLOYTEN-ADXLDSDHSA-N 2 1 395.591 3.538 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Cc1ccccc1 ZINC000647976610 854428329 /nfs/dbraw/zinc/42/83/29/854428329.db2.gz QYTYDEMYGMWONM-DHIUTWEWSA-N 2 1 391.559 3.928 20 0 GHADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000330110337 862581530 /nfs/dbraw/zinc/58/15/30/862581530.db2.gz ACOUTZGVAKHPPX-ZVDOUQERSA-N 2 1 387.572 3.547 20 0 GHADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441431339 854652407 /nfs/dbraw/zinc/65/24/07/854652407.db2.gz BOLTZAGUNAXGLI-DOTOQJQBSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441431339 854652412 /nfs/dbraw/zinc/65/24/12/854652412.db2.gz BOLTZAGUNAXGLI-DOTOQJQBSA-N 2 1 387.351 3.541 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000072884086 854731580 /nfs/dbraw/zinc/73/15/80/854731580.db2.gz RVQHMABDBBMVKY-OAQYLSRUSA-N 2 1 382.552 3.596 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000072884086 854731585 /nfs/dbraw/zinc/73/15/85/854731585.db2.gz RVQHMABDBBMVKY-OAQYLSRUSA-N 2 1 382.552 3.596 20 0 GHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000074220846 854740663 /nfs/dbraw/zinc/74/06/63/854740663.db2.gz KNFGPCWOWDTPLP-OAQYLSRUSA-N 2 1 382.552 3.767 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000074220846 854740681 /nfs/dbraw/zinc/74/06/81/854740681.db2.gz KNFGPCWOWDTPLP-OAQYLSRUSA-N 2 1 382.552 3.767 20 0 GHADMP CC[C@H]1CCC[C@@H]1CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458952456 854888946 /nfs/dbraw/zinc/88/89/46/854888946.db2.gz UUCMBPQLLSYJRA-LEWJYISDSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000589836555 855158357 /nfs/dbraw/zinc/15/83/57/855158357.db2.gz LJFYANGSFOHSEA-CQSZACIVSA-N 2 1 383.330 3.780 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000674013367 862657476 /nfs/dbraw/zinc/65/74/76/862657476.db2.gz FRXXMSXIJBFJBF-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674013367 862657485 /nfs/dbraw/zinc/65/74/85/862657485.db2.gz FRXXMSXIJBFJBF-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674013367 862657493 /nfs/dbraw/zinc/65/74/93/862657493.db2.gz FRXXMSXIJBFJBF-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000765824512 855310650 /nfs/dbraw/zinc/31/06/50/855310650.db2.gz HUUGESXOBJMPON-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000765824518 855310668 /nfs/dbraw/zinc/31/06/68/855310668.db2.gz HUUGESXOBJMPON-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)C[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH2+][C@H](C)c1ccccc1 ZINC000542715859 855545437 /nfs/dbraw/zinc/54/54/37/855545437.db2.gz LAXZPPQPTBEDQO-UYAOXDASSA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000590786783 855585826 /nfs/dbraw/zinc/58/58/26/855585826.db2.gz QJUPCJOJEVYGSP-GOSISDBHSA-N 2 1 389.609 3.956 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000590786783 855585827 /nfs/dbraw/zinc/58/58/27/855585827.db2.gz QJUPCJOJEVYGSP-GOSISDBHSA-N 2 1 389.609 3.956 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002809 855630455 /nfs/dbraw/zinc/63/04/55/855630455.db2.gz YTPQJQJKZKFOAC-BMHONFFRSA-N 2 1 397.538 3.651 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002809 855630457 /nfs/dbraw/zinc/63/04/57/855630457.db2.gz YTPQJQJKZKFOAC-BMHONFFRSA-N 2 1 397.538 3.651 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002809 855630460 /nfs/dbraw/zinc/63/04/60/855630460.db2.gz YTPQJQJKZKFOAC-BMHONFFRSA-N 2 1 397.538 3.651 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002809 855630464 /nfs/dbraw/zinc/63/04/64/855630464.db2.gz YTPQJQJKZKFOAC-BMHONFFRSA-N 2 1 397.538 3.651 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002809 855630467 /nfs/dbraw/zinc/63/04/67/855630467.db2.gz YTPQJQJKZKFOAC-BMHONFFRSA-N 2 1 397.538 3.651 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000591162007 855803601 /nfs/dbraw/zinc/80/36/01/855803601.db2.gz MVAAOMXCHRFKKH-HSZRJFAPSA-N 2 1 391.559 3.924 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)c1ccccc1 ZINC000591463317 856002686 /nfs/dbraw/zinc/00/26/86/856002686.db2.gz HSGZEQCHJAZNGS-XMSQKQJNSA-N 2 1 381.520 3.711 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)c1ccccc1 ZINC000591463317 856002689 /nfs/dbraw/zinc/00/26/89/856002689.db2.gz HSGZEQCHJAZNGS-XMSQKQJNSA-N 2 1 381.520 3.711 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000573244339 856021822 /nfs/dbraw/zinc/02/18/22/856021822.db2.gz BLFRSBSOCJERGK-HLAWJBBLSA-N 2 1 395.513 3.903 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000482156874 862751371 /nfs/dbraw/zinc/75/13/71/862751371.db2.gz JOTIHCDZHQGSCH-ZFMNYDKASA-N 2 1 387.568 3.505 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)cs1 ZINC000921724879 856061956 /nfs/dbraw/zinc/06/19/56/856061956.db2.gz LUZDNFWXJKBXGY-CEXWTWQISA-N 2 1 377.598 3.712 20 0 GHADMP CC(C)C[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc(C(F)(F)F)c1 ZINC000629552564 862753573 /nfs/dbraw/zinc/75/35/73/862753573.db2.gz MJXDOMBJMAANKU-ROUUACIJSA-N 2 1 381.446 3.708 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000905121681 856168741 /nfs/dbraw/zinc/16/87/41/856168741.db2.gz FDIVFHLPCVBEES-XMSQKQJNSA-N 2 1 393.531 3.723 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000905152536 856172842 /nfs/dbraw/zinc/17/28/42/856172842.db2.gz FILGKKXRGQLFBH-OUJCMCIWSA-N 2 1 382.548 3.504 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000905152536 856172845 /nfs/dbraw/zinc/17/28/45/856172845.db2.gz FILGKKXRGQLFBH-OUJCMCIWSA-N 2 1 382.548 3.504 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCC[NH+](C)C2CC2)CC1 ZINC000459172469 856206226 /nfs/dbraw/zinc/20/62/26/856206226.db2.gz YYZYDNIWARYDLP-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459172469 856206243 /nfs/dbraw/zinc/20/62/43/856206243.db2.gz YYZYDNIWARYDLP-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459172469 856206253 /nfs/dbraw/zinc/20/62/53/856206253.db2.gz YYZYDNIWARYDLP-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)s1 ZINC000573486862 856251352 /nfs/dbraw/zinc/25/13/52/856251352.db2.gz UNRPQDCQGDQORA-ILZDJORESA-N 2 1 377.598 3.505 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000573604061 856309572 /nfs/dbraw/zinc/30/95/72/856309572.db2.gz ITRMNKSEZIDXBZ-UEXHFKJGSA-N 2 1 379.495 3.512 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000573604061 856309589 /nfs/dbraw/zinc/30/95/89/856309589.db2.gz ITRMNKSEZIDXBZ-UEXHFKJGSA-N 2 1 379.495 3.512 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000921774505 856366079 /nfs/dbraw/zinc/36/60/79/856366079.db2.gz IKZYHDXXMQOOSU-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168008837 856370904 /nfs/dbraw/zinc/37/09/04/856370904.db2.gz GBVUBSXICDGODD-RMFSNUHRSA-N 2 1 386.561 3.621 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008837 856370914 /nfs/dbraw/zinc/37/09/14/856370914.db2.gz GBVUBSXICDGODD-RMFSNUHRSA-N 2 1 386.561 3.621 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3sccc3Br)CC2)C[C@@H](C)O1 ZINC000110432592 856547131 /nfs/dbraw/zinc/54/71/31/856547131.db2.gz UUKOAPOAWAGLQI-ZIAGYGMSSA-N 2 1 387.387 3.832 20 0 GHADMP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485474832 856638540 /nfs/dbraw/zinc/63/85/40/856638540.db2.gz DLMAEIIFDVSADS-HSZRJFAPSA-N 2 1 389.543 3.928 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000674694411 856711493 /nfs/dbraw/zinc/71/14/93/856711493.db2.gz UBBOMFRTQSWDHB-RBBKRZOGSA-N 2 1 387.568 3.603 20 0 GHADMP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)oc21 ZINC000658142452 856797052 /nfs/dbraw/zinc/79/70/52/856797052.db2.gz YKDCISOFYXIXCJ-JXFKEZNVSA-N 2 1 380.488 3.859 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)cc1 ZINC000573966944 856832362 /nfs/dbraw/zinc/83/23/62/856832362.db2.gz CZORHVMTZQNNEQ-LEWJYISDSA-N 2 1 398.572 3.649 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)cc1 ZINC000573966944 856832367 /nfs/dbraw/zinc/83/23/67/856832367.db2.gz CZORHVMTZQNNEQ-LEWJYISDSA-N 2 1 398.572 3.649 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592492220 856898858 /nfs/dbraw/zinc/89/88/58/856898858.db2.gz WWVLMBWTBVKBKA-OALUTQOASA-N 2 1 399.560 3.808 20 0 GHADMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000485667696 856902994 /nfs/dbraw/zinc/90/29/94/856902994.db2.gz GZEAMGSFUGSPNO-KRWDZBQOSA-N 2 1 379.932 3.628 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000485707657 856958704 /nfs/dbraw/zinc/95/87/04/856958704.db2.gz LNBKVZADFURIBN-LJQANCHMSA-N 2 1 399.501 3.953 20 0 GHADMP C[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665252921 857000952 /nfs/dbraw/zinc/00/09/52/857000952.db2.gz AIHJKLBVBDUECC-CXEBNRJLSA-N 2 1 399.529 3.911 20 0 GHADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665257057 857124544 /nfs/dbraw/zinc/12/45/44/857124544.db2.gz XPKDSXHWTZABEP-MDNUFGMLSA-N 2 1 386.511 3.517 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000057174875 857158685 /nfs/dbraw/zinc/15/86/85/857158685.db2.gz TYLQDRHZVMGUHG-XMMPIXPASA-N 2 1 391.559 3.740 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465945722 857182964 /nfs/dbraw/zinc/18/29/64/857182964.db2.gz AQPNWNUKDCGWKG-GGPKGHCWSA-N 2 1 392.613 3.695 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465945722 857182966 /nfs/dbraw/zinc/18/29/66/857182966.db2.gz AQPNWNUKDCGWKG-GGPKGHCWSA-N 2 1 392.613 3.695 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465945722 857182973 /nfs/dbraw/zinc/18/29/73/857182973.db2.gz AQPNWNUKDCGWKG-GGPKGHCWSA-N 2 1 392.613 3.695 20 0 GHADMP Cc1nc(C(C)C)oc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000428198128 857196321 /nfs/dbraw/zinc/19/63/21/857196321.db2.gz BOQAJJHKXNHYTC-UHFFFAOYSA-N 2 1 376.589 3.735 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000429249089 857238249 /nfs/dbraw/zinc/23/82/49/857238249.db2.gz YUYXMWBFMJPQNP-AWEZNQCLSA-N 2 1 380.895 3.977 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000429249089 857238257 /nfs/dbraw/zinc/23/82/57/857238257.db2.gz YUYXMWBFMJPQNP-AWEZNQCLSA-N 2 1 380.895 3.977 20 0 GHADMP Fc1cc2[nH]c(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cc2c(Br)c1 ZINC000922023281 857556423 /nfs/dbraw/zinc/55/64/23/857556423.db2.gz BOWCVRWNQQBWSJ-NSHDSACASA-N 2 1 377.261 3.618 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000675776754 857606849 /nfs/dbraw/zinc/60/68/49/857606849.db2.gz YWAQLQXXYSZRTP-IPJJNNNSSA-N 2 1 394.003 3.893 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000065517540 857646254 /nfs/dbraw/zinc/64/62/54/857646254.db2.gz HRLOQXHIOYDNSQ-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277334 857653781 /nfs/dbraw/zinc/65/37/81/857653781.db2.gz ZFFXKKGGWNMSJA-RXVVDRJESA-N 3 1 378.564 3.802 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277334 857653783 /nfs/dbraw/zinc/65/37/83/857653783.db2.gz ZFFXKKGGWNMSJA-RXVVDRJESA-N 2 1 378.564 3.802 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277334 857653788 /nfs/dbraw/zinc/65/37/88/857653788.db2.gz ZFFXKKGGWNMSJA-RXVVDRJESA-N 2 1 378.564 3.802 20 0 GHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880515 857658623 /nfs/dbraw/zinc/65/86/23/857658623.db2.gz FOWKBVREKBMNAD-HKUYNNGSSA-N 2 1 379.342 3.669 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000486363596 857677058 /nfs/dbraw/zinc/67/70/58/857677058.db2.gz ZVZUSZRSUXAQQF-YLJYHZDGSA-N 2 1 384.520 3.713 20 0 GHADMP c1ncn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)n1 ZINC000679841398 857718636 /nfs/dbraw/zinc/71/86/36/857718636.db2.gz VVYZBSDHIKEQRU-DHIUTWEWSA-N 2 1 387.531 3.710 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc4[nH]c(=O)oc4c3)cc2)CC1 ZINC000671741651 857744829 /nfs/dbraw/zinc/74/48/29/857744829.db2.gz IXPADNZXNUJQLR-QGZVFWFLSA-N 2 1 394.519 3.522 20 0 GHADMP Fc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000665282876 857815488 /nfs/dbraw/zinc/81/54/88/857815488.db2.gz DHDGRNWDRGACPY-JXFKEZNVSA-N 2 1 378.394 3.773 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccco1 ZINC000574427650 857883360 /nfs/dbraw/zinc/88/33/60/857883360.db2.gz CNHWMQTXUKMPKF-UCLAIMLFSA-N 2 1 377.916 3.781 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000181681908 862971081 /nfs/dbraw/zinc/97/10/81/862971081.db2.gz SEVGSGHQITWSQJ-OAQYLSRUSA-N 2 1 377.617 3.859 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C[C@@H]1C ZINC000442613655 857980803 /nfs/dbraw/zinc/98/08/03/857980803.db2.gz XAIDHTJUWXFDIF-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)O[C@H](C)C2 ZINC000067976640 858092515 /nfs/dbraw/zinc/09/25/15/858092515.db2.gz GVAAJRZWNITVGN-QZTJIDSGSA-N 2 1 396.531 3.529 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)O[C@H](C)C2 ZINC000067976640 858092524 /nfs/dbraw/zinc/09/25/24/858092524.db2.gz GVAAJRZWNITVGN-QZTJIDSGSA-N 2 1 396.531 3.529 20 0 GHADMP O=C(C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000543059978 858147550 /nfs/dbraw/zinc/14/75/50/858147550.db2.gz OZABOLRCHPFKRU-VJIACCKLSA-N 2 1 387.593 3.749 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1(C)C ZINC000442873416 858190696 /nfs/dbraw/zinc/19/06/96/858190696.db2.gz OZZDAPWDTFFRLJ-SFHVURJKSA-N 2 1 384.593 3.803 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000066568514 858191772 /nfs/dbraw/zinc/19/17/72/858191772.db2.gz ZYJNLFKHFPLRGR-QGZVFWFLSA-N 2 1 377.960 3.667 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2cc(Br)ccc2o1 ZINC000442877663 858199421 /nfs/dbraw/zinc/19/94/21/858199421.db2.gz RMWFSLAQTAPWLH-CQSZACIVSA-N 2 1 394.357 3.872 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1(C)C ZINC000442894446 858215381 /nfs/dbraw/zinc/21/53/81/858215381.db2.gz ZLOZSQLFDRTBBZ-NRFANRHFSA-N 2 1 386.971 3.634 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccc(C)c(C)c4)s3)C2)CC1 ZINC000594604012 858219161 /nfs/dbraw/zinc/21/91/61/858219161.db2.gz XCCLKGJAEDGMTB-FQEVSTJZSA-N 2 1 384.593 3.639 20 0 GHADMP c1cn2c(n1)[C@@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CCc1ccccc1-2 ZINC000665300034 858230053 /nfs/dbraw/zinc/23/00/53/858230053.db2.gz XFHCPJFGNLKOSN-MZLICYQSSA-N 2 1 386.499 3.705 20 0 GHADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCC[C@H](C)C1 ZINC000521687065 858245785 /nfs/dbraw/zinc/24/57/85/858245785.db2.gz ICMRANOWCWYMSX-ZWKOTPCHSA-N 2 1 394.991 3.534 20 0 GHADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000594927272 858306856 /nfs/dbraw/zinc/30/68/56/858306856.db2.gz UZSLJHNQGOQIDT-QWRYSRLRSA-N 2 1 398.469 3.876 20 0 GHADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000594927272 858306861 /nfs/dbraw/zinc/30/68/61/858306861.db2.gz UZSLJHNQGOQIDT-QWRYSRLRSA-N 2 1 398.469 3.876 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000521780697 858321027 /nfs/dbraw/zinc/32/10/27/858321027.db2.gz RBIYVCDCYHAVTE-JOCHJYFZSA-N 2 1 386.584 3.736 20 0 GHADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000521823378 858357137 /nfs/dbraw/zinc/35/71/37/858357137.db2.gz RXECQRWLFJMSRQ-QHCPKHFHSA-N 2 1 395.547 3.931 20 0 GHADMP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000521880960 858399375 /nfs/dbraw/zinc/39/93/75/858399375.db2.gz LSNKZACLMZBZMU-FQEVSTJZSA-N 2 1 398.576 3.597 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000522032268 858551236 /nfs/dbraw/zinc/55/12/36/858551236.db2.gz ZDHXBNBBJQVMSJ-JOCHJYFZSA-N 2 1 381.520 3.620 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000522049263 858571264 /nfs/dbraw/zinc/57/12/64/858571264.db2.gz VSQQECCPUZNGQX-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[C@@H](CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000079598923 858588814 /nfs/dbraw/zinc/58/88/14/858588814.db2.gz DWGBSLVTFZMQDG-OAQYLSRUSA-N 2 1 380.621 3.505 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183731991 858806951 /nfs/dbraw/zinc/80/69/51/858806951.db2.gz FGXOGVXVJWXNQI-GFCCVEGCSA-N 2 1 379.295 3.505 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(OCC4CC4)cc3)C2)ccn1 ZINC000856551289 881367509 /nfs/dbraw/zinc/36/75/09/881367509.db2.gz OLPSXYPBTXYNRJ-XMMPIXPASA-N 2 1 395.547 3.975 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(OCC4CC4)cc3)C2)ccn1 ZINC000856551289 881367527 /nfs/dbraw/zinc/36/75/27/881367527.db2.gz OLPSXYPBTXYNRJ-XMMPIXPASA-N 2 1 395.547 3.975 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(OCC4CC4)cc3)C2)ccn1 ZINC000856551289 881367548 /nfs/dbraw/zinc/36/75/48/881367548.db2.gz OLPSXYPBTXYNRJ-XMMPIXPASA-N 2 1 395.547 3.975 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc4ccccc34)C2)ccn1 ZINC000856552437 881377262 /nfs/dbraw/zinc/37/72/62/881377262.db2.gz BOODRLIQIOKNKX-OAQYLSRUSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)ccn1 ZINC000856552437 881377281 /nfs/dbraw/zinc/37/72/81/881377281.db2.gz BOODRLIQIOKNKX-OAQYLSRUSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)ccn1 ZINC000856552437 881377298 /nfs/dbraw/zinc/37/72/98/881377298.db2.gz BOODRLIQIOKNKX-OAQYLSRUSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742488 859123969 /nfs/dbraw/zinc/12/39/69/859123969.db2.gz SYVDFDWGPDJWOO-FGTMMUONSA-N 2 1 380.536 3.804 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742488 859123977 /nfs/dbraw/zinc/12/39/77/859123977.db2.gz SYVDFDWGPDJWOO-FGTMMUONSA-N 2 1 380.536 3.804 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185748243 859125055 /nfs/dbraw/zinc/12/50/55/859125055.db2.gz UAAUQJOHJBUFJI-IXDOHACOSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185748243 859125060 /nfs/dbraw/zinc/12/50/60/859125060.db2.gz UAAUQJOHJBUFJI-IXDOHACOSA-N 2 1 375.582 3.978 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4ncccc4c3)C2)ccn1 ZINC000856553441 881384773 /nfs/dbraw/zinc/38/47/73/881384773.db2.gz CHXADLSOSDJTBQ-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)ccn1 ZINC000856553441 881384792 /nfs/dbraw/zinc/38/47/92/881384792.db2.gz CHXADLSOSDJTBQ-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)ccn1 ZINC000856553441 881384810 /nfs/dbraw/zinc/38/48/10/881384810.db2.gz CHXADLSOSDJTBQ-JOCHJYFZSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000665363804 859135216 /nfs/dbraw/zinc/13/52/16/859135216.db2.gz CDPGGQACASAWPL-NRSPTQNISA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000665363804 859135222 /nfs/dbraw/zinc/13/52/22/859135222.db2.gz CDPGGQACASAWPL-NRSPTQNISA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000665363804 859135229 /nfs/dbraw/zinc/13/52/29/859135229.db2.gz CDPGGQACASAWPL-NRSPTQNISA-N 2 1 386.584 3.554 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483248686 859240846 /nfs/dbraw/zinc/24/08/46/859240846.db2.gz RDXAJRZSPMQKRH-WNYOCNMUSA-N 2 1 376.447 3.908 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483248686 859240855 /nfs/dbraw/zinc/24/08/55/859240855.db2.gz RDXAJRZSPMQKRH-WNYOCNMUSA-N 2 1 376.447 3.908 20 0 GHADMP CCC[N@H+](Cc1ccc(N(C)CC)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000483270435 859259761 /nfs/dbraw/zinc/25/97/61/859259761.db2.gz UOSAUKAIJULTEZ-UHFFFAOYSA-N 2 1 396.583 3.826 20 0 GHADMP CCC[N@@H+](Cc1ccc(N(C)CC)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000483270435 859259766 /nfs/dbraw/zinc/25/97/66/859259766.db2.gz UOSAUKAIJULTEZ-UHFFFAOYSA-N 2 1 396.583 3.826 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000483275435 859262655 /nfs/dbraw/zinc/26/26/55/859262655.db2.gz ZCUGJPGMHSLWOG-MRXNPFEDSA-N 2 1 375.822 3.967 20 0 GHADMP CN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000601476941 859289256 /nfs/dbraw/zinc/28/92/56/859289256.db2.gz CZQKDEKEGYYJBE-OAQYLSRUSA-N 2 1 395.547 3.506 20 0 GHADMP CN(C(=O)CCc1ccc(-c2ccccc2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601476941 859289268 /nfs/dbraw/zinc/28/92/68/859289268.db2.gz CZQKDEKEGYYJBE-OAQYLSRUSA-N 2 1 395.547 3.506 20 0 GHADMP Cc1ccccc1-n1nccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000474154657 859346987 /nfs/dbraw/zinc/34/69/87/859346987.db2.gz SYXXSZWMKYHRCJ-BGYRXZFFSA-N 2 1 382.552 3.502 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499651 859374196 /nfs/dbraw/zinc/37/41/96/859374196.db2.gz MQBKYLCVMMGWKL-IJLUTSLNSA-N 2 1 377.838 3.603 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499652 859374339 /nfs/dbraw/zinc/37/43/39/859374339.db2.gz MQBKYLCVMMGWKL-UTUOFQBUSA-N 2 1 377.838 3.603 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1 ZINC000466734953 859389341 /nfs/dbraw/zinc/38/93/41/859389341.db2.gz MHEAHOYKAAZGIW-IBGZPJMESA-N 2 1 389.584 3.960 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000626062777 859434640 /nfs/dbraw/zinc/43/46/40/859434640.db2.gz GIYXGTVDLCIYHA-JOCHJYFZSA-N 2 1 383.511 3.729 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000626062777 859434644 /nfs/dbraw/zinc/43/46/44/859434644.db2.gz GIYXGTVDLCIYHA-JOCHJYFZSA-N 2 1 383.511 3.729 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000466744950 859457167 /nfs/dbraw/zinc/45/71/67/859457167.db2.gz TZLBGFJEHYSJGY-OAHLLOKOSA-N 2 1 378.542 3.682 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000895479362 859565267 /nfs/dbraw/zinc/56/52/67/859565267.db2.gz PFXYLJWKYIIALB-FJIDUMEYSA-N 2 1 390.490 3.608 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000114475747 859626342 /nfs/dbraw/zinc/62/63/42/859626342.db2.gz YTPXAZRWEUUKQK-UHFFFAOYSA-N 2 1 388.581 3.703 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000114475747 859626349 /nfs/dbraw/zinc/62/63/49/859626349.db2.gz YTPXAZRWEUUKQK-UHFFFAOYSA-N 2 1 388.581 3.703 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C[C@@H]1C ZINC000483816576 859636628 /nfs/dbraw/zinc/63/66/28/859636628.db2.gz JOLQIRZINAWETG-IPJJNNNSSA-N 2 1 386.584 3.726 20 0 GHADMP COc1cc(CN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC001168030725 859639424 /nfs/dbraw/zinc/63/94/24/859639424.db2.gz WZOPIBXEDWXMNA-XEMDLRDOSA-N 2 1 384.520 3.941 20 0 GHADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC001168030725 859639434 /nfs/dbraw/zinc/63/94/34/859639434.db2.gz WZOPIBXEDWXMNA-XEMDLRDOSA-N 2 1 384.520 3.941 20 0 GHADMP C[C@@H](c1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000118031736 859693149 /nfs/dbraw/zinc/69/31/49/859693149.db2.gz NOLKUFXEVZVKHQ-PGRDOPGGSA-N 2 1 396.535 3.504 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764964220 859711470 /nfs/dbraw/zinc/71/14/70/859711470.db2.gz QPKYZVDZBMIPEK-JKSUJKDBSA-N 2 1 388.524 3.846 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000597754660 859785860 /nfs/dbraw/zinc/78/58/60/859785860.db2.gz AQCKSWCVFLUWED-IBGZPJMESA-N 2 1 394.563 3.852 20 0 GHADMP COc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1OC ZINC000856561355 881468460 /nfs/dbraw/zinc/46/84/60/881468460.db2.gz NSXVJMQOCXBQLE-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1OC ZINC000856561355 881468466 /nfs/dbraw/zinc/46/84/66/881468466.db2.gz NSXVJMQOCXBQLE-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP COc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1OC ZINC000856561355 881468472 /nfs/dbraw/zinc/46/84/72/881468472.db2.gz NSXVJMQOCXBQLE-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@]1(O)CCN(Cc3ccccc3)C1)CCCO2 ZINC000484174838 859847673 /nfs/dbraw/zinc/84/76/73/859847673.db2.gz SLQLSPPIZGCDLG-VWNXMTODSA-N 2 1 380.532 3.744 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168032918 859848578 /nfs/dbraw/zinc/84/85/78/859848578.db2.gz JHHZAIDONDAVMW-IECBHUPTSA-N 2 1 382.548 3.898 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1OC ZINC000856562223 881471971 /nfs/dbraw/zinc/47/19/71/881471971.db2.gz WMHFIXAMRUDRNL-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1OC ZINC000856562223 881471977 /nfs/dbraw/zinc/47/19/77/881471977.db2.gz WMHFIXAMRUDRNL-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1OC ZINC000856562223 881471982 /nfs/dbraw/zinc/47/19/82/881471982.db2.gz WMHFIXAMRUDRNL-OAQYLSRUSA-N 2 1 399.535 3.592 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC001271161386 859873402 /nfs/dbraw/zinc/87/34/02/859873402.db2.gz FDLKSUMZCGYZQH-RZUBCFFCSA-N 2 1 397.950 3.533 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(Cl)cc1 ZINC001271161386 859873405 /nfs/dbraw/zinc/87/34/05/859873405.db2.gz FDLKSUMZCGYZQH-RZUBCFFCSA-N 2 1 397.950 3.533 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000727467229 860105416 /nfs/dbraw/zinc/10/54/16/860105416.db2.gz WHGXLJDRYVMRLH-UHFFFAOYSA-N 2 1 399.539 3.703 20 0 GHADMP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCSc3c(F)cccc32)c2ccccc2)CC1 ZINC000532214054 860233539 /nfs/dbraw/zinc/23/35/39/860233539.db2.gz QPYPLPJCTAFQPO-NHCUHLMSSA-N 2 1 385.552 3.941 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000536057282 860269220 /nfs/dbraw/zinc/26/92/20/860269220.db2.gz JIXIRWLUEFWDEU-JOCHJYFZSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000536057282 860269223 /nfs/dbraw/zinc/26/92/23/860269223.db2.gz JIXIRWLUEFWDEU-JOCHJYFZSA-N 2 1 396.535 3.715 20 0 GHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000522448000 860304606 /nfs/dbraw/zinc/30/46/06/860304606.db2.gz JXKRIOVTKPHKOB-JOCHJYFZSA-N 2 1 386.584 3.546 20 0 GHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=S)NCC(C)(C)C[NH+](C)C)c2C1 ZINC000727979183 860347316 /nfs/dbraw/zinc/34/73/16/860347316.db2.gz SOKQLLVYHABBGC-UHFFFAOYSA-N 2 1 376.614 3.923 20 0 GHADMP CCOc1c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(C)nn1CC(C)C ZINC000904477700 860469423 /nfs/dbraw/zinc/46/94/23/860469423.db2.gz ZFVKHOPAGSQKRO-NZQKXSOJSA-N 2 1 398.551 3.592 20 0 GHADMP C[C@@H](NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000904588766 860511956 /nfs/dbraw/zinc/51/19/56/860511956.db2.gz XFKFALKJARPEAG-IEBWSBKVSA-N 2 1 380.536 3.913 20 0 GHADMP COc1cccc(C2=CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)CC2)c1 ZINC000509007520 860515401 /nfs/dbraw/zinc/51/54/01/860515401.db2.gz SDCTWTPKVHLMGF-UHFFFAOYSA-N 2 1 391.559 3.997 20 0 GHADMP COc1cccc(C2=CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000509007520 860515411 /nfs/dbraw/zinc/51/54/11/860515411.db2.gz SDCTWTPKVHLMGF-UHFFFAOYSA-N 2 1 391.559 3.997 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000904647156 860542831 /nfs/dbraw/zinc/54/28/31/860542831.db2.gz BHNNOVICYJYJPS-IFMALSPDSA-N 2 1 378.520 3.664 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856583926 881551068 /nfs/dbraw/zinc/55/10/68/881551068.db2.gz UDACGSPMIMKCPU-HSZRJFAPSA-N 2 1 382.552 3.513 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856583926 881551480 /nfs/dbraw/zinc/55/14/80/881551480.db2.gz UDACGSPMIMKCPU-HSZRJFAPSA-N 2 1 382.552 3.513 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCN(C)c3ccccc3)C2)ccn1 ZINC000856583926 881551560 /nfs/dbraw/zinc/55/15/60/881551560.db2.gz UDACGSPMIMKCPU-HSZRJFAPSA-N 2 1 382.552 3.513 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(Cc2cccnc2)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000765749423 860566320 /nfs/dbraw/zinc/56/63/20/860566320.db2.gz MWLFQBUGVLXVHZ-AZUAARDMSA-N 2 1 390.572 3.529 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000532230917 881555541 /nfs/dbraw/zinc/55/55/41/881555541.db2.gz ZZAMRKDVKGIQFB-OYDLWJJNSA-N 2 1 380.532 3.545 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000532230917 881555552 /nfs/dbraw/zinc/55/55/52/881555552.db2.gz ZZAMRKDVKGIQFB-OYDLWJJNSA-N 2 1 380.532 3.545 20 0 GHADMP CCC(CC)(C[NH2+]C1CCN(c2cnccn2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000532232186 881557732 /nfs/dbraw/zinc/55/77/32/881557732.db2.gz NETWUYOXCIXGBF-LJQANCHMSA-N 2 1 381.568 3.945 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000509036040 860647159 /nfs/dbraw/zinc/64/71/59/860647159.db2.gz YXWIRLPWBNDAMB-PXNSSMCTSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000509036040 860647161 /nfs/dbraw/zinc/64/71/61/860647161.db2.gz YXWIRLPWBNDAMB-PXNSSMCTSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000509036040 860647162 /nfs/dbraw/zinc/64/71/62/860647162.db2.gz YXWIRLPWBNDAMB-PXNSSMCTSA-N 2 1 394.991 3.706 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4ccccc4o3)C2)ccn1 ZINC000856597879 881572304 /nfs/dbraw/zinc/57/23/04/881572304.db2.gz CRWDXVSAJARDJU-IBGZPJMESA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4ccccc4o3)C2)ccn1 ZINC000856597879 881572310 /nfs/dbraw/zinc/57/23/10/881572310.db2.gz CRWDXVSAJARDJU-IBGZPJMESA-N 2 1 380.492 3.716 20 0 GHADMP CCc1noc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)n1 ZINC000922865322 860678904 /nfs/dbraw/zinc/67/89/04/860678904.db2.gz HSRJYEDVWFJCGH-YLJYHZDGSA-N 2 1 386.515 3.704 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc4ccccc4o3)C2)ccn1 ZINC000856597879 881572317 /nfs/dbraw/zinc/57/23/17/881572317.db2.gz CRWDXVSAJARDJU-IBGZPJMESA-N 2 1 380.492 3.716 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc4ccccc4o3)C2)ccn1 ZINC000856597879 881572321 /nfs/dbraw/zinc/57/23/21/881572321.db2.gz CRWDXVSAJARDJU-IBGZPJMESA-N 2 1 380.492 3.716 20 0 GHADMP c1nc2ccccc2n1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603516836 860785621 /nfs/dbraw/zinc/78/56/21/860785621.db2.gz DOFREKCDPWIIDG-QFIPXVFZSA-N 2 1 390.531 3.759 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000669687527 860793837 /nfs/dbraw/zinc/79/38/37/860793837.db2.gz CZTICQWGBJYDIT-UHFFFAOYSA-N 2 1 387.568 3.576 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000474821556 860815952 /nfs/dbraw/zinc/81/59/52/860815952.db2.gz LTQVPOUJKMYAOY-KFELQJHASA-N 2 1 382.548 3.660 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000474821556 860815958 /nfs/dbraw/zinc/81/59/58/860815958.db2.gz LTQVPOUJKMYAOY-KFELQJHASA-N 2 1 382.548 3.660 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2)C[C@@H](C)O1 ZINC000156670919 860926614 /nfs/dbraw/zinc/92/66/14/860926614.db2.gz DJHBCSYANGAYGW-QZTJIDSGSA-N 2 1 381.520 3.610 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1OC1CC1 ZINC000623376091 860947921 /nfs/dbraw/zinc/94/79/21/860947921.db2.gz FPAQDYFFUHCXNI-SFHVURJKSA-N 2 1 396.531 3.747 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1OC1CC1 ZINC000623376091 860947935 /nfs/dbraw/zinc/94/79/35/860947935.db2.gz FPAQDYFFUHCXNI-SFHVURJKSA-N 2 1 396.531 3.747 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1(C)C ZINC000623386059 860971348 /nfs/dbraw/zinc/97/13/48/860971348.db2.gz IQFSFUGKIFLEHV-HXUWFJFHSA-N 2 1 375.520 3.897 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1(C)C ZINC000623386059 860971365 /nfs/dbraw/zinc/97/13/65/860971365.db2.gz IQFSFUGKIFLEHV-HXUWFJFHSA-N 2 1 375.520 3.897 20 0 GHADMP Fc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1F ZINC000557038199 881605319 /nfs/dbraw/zinc/60/53/19/881605319.db2.gz CYTWANMKBADVKL-HXUWFJFHSA-N 2 1 386.486 3.983 20 0 GHADMP Fc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1F ZINC000557038199 881605327 /nfs/dbraw/zinc/60/53/27/881605327.db2.gz CYTWANMKBADVKL-HXUWFJFHSA-N 2 1 386.486 3.983 20 0 GHADMP CN(C)Cc1ccnc(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000176922586 861083554 /nfs/dbraw/zinc/08/35/54/861083554.db2.gz IIUHRFLDGXCJMJ-UHFFFAOYSA-N 2 1 388.515 3.784 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)CC2)CC1 ZINC000179181633 861108307 /nfs/dbraw/zinc/10/83/07/861108307.db2.gz SBUPLCLSOOUNIW-UHFFFAOYSA-N 2 1 390.616 3.689 20 0 GHADMP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1c1ccccc1 ZINC000499210050 881623113 /nfs/dbraw/zinc/62/31/13/881623113.db2.gz FUCHWIQLITUAOO-CAUSLRQDSA-N 2 1 389.543 3.967 20 0 GHADMP O=C1[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1c1ccccc1 ZINC000499210050 881623117 /nfs/dbraw/zinc/62/31/17/881623117.db2.gz FUCHWIQLITUAOO-CAUSLRQDSA-N 2 1 389.543 3.967 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000482449324 863148441 /nfs/dbraw/zinc/14/84/41/863148441.db2.gz HKEOWTAKBYDWSJ-VGSWGCGISA-N 2 1 384.495 3.735 20 0 GHADMP COC(=O)c1ccccc1OCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000182441918 863229323 /nfs/dbraw/zinc/22/93/23/863229323.db2.gz FDGGSIHVRBIDFQ-MRXNPFEDSA-N 2 1 379.460 3.697 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428324597 863236670 /nfs/dbraw/zinc/23/66/70/863236670.db2.gz LGUURFGBZBFUHW-LJQANCHMSA-N 2 1 398.595 3.592 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000132700269 881642512 /nfs/dbraw/zinc/64/25/12/881642512.db2.gz JIBNYTSHKFQJHH-UHFFFAOYSA-N 2 1 392.613 3.821 20 0 GHADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716178760 863270243 /nfs/dbraw/zinc/27/02/43/863270243.db2.gz PLCRHJNPQGFWDD-OAQYLSRUSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552290 863298165 /nfs/dbraw/zinc/29/81/65/863298165.db2.gz RRNMCZPKTFWTSY-HKUYNNGSSA-N 2 1 399.510 3.856 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552290 863298171 /nfs/dbraw/zinc/29/81/71/863298171.db2.gz RRNMCZPKTFWTSY-HKUYNNGSSA-N 2 1 399.510 3.856 20 0 GHADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255937 863327132 /nfs/dbraw/zinc/32/71/32/863327132.db2.gz XTHMZCDYGJRFBF-JLLPCOHGSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255937 863327141 /nfs/dbraw/zinc/32/71/41/863327141.db2.gz XTHMZCDYGJRFBF-JLLPCOHGSA-N 2 1 395.591 3.668 20 0 GHADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255937 863327155 /nfs/dbraw/zinc/32/71/55/863327155.db2.gz XTHMZCDYGJRFBF-JLLPCOHGSA-N 2 1 395.591 3.668 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000482570171 863328329 /nfs/dbraw/zinc/32/83/29/863328329.db2.gz TYNSIPZRXGTMGE-DOTOQJQBSA-N 2 1 389.540 3.792 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074299770 881652608 /nfs/dbraw/zinc/65/26/08/881652608.db2.gz MIWGFDFUUCSUFX-KNQAVFIVSA-N 2 1 386.584 3.728 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444232553 863721827 /nfs/dbraw/zinc/72/18/27/863721827.db2.gz QWVSHKPHCKWEBL-NJRJFZHGSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444232553 863721834 /nfs/dbraw/zinc/72/18/34/863721834.db2.gz QWVSHKPHCKWEBL-NJRJFZHGSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444232553 863721840 /nfs/dbraw/zinc/72/18/40/863721840.db2.gz QWVSHKPHCKWEBL-NJRJFZHGSA-N 2 1 383.580 3.761 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc21 ZINC000455932608 863792846 /nfs/dbraw/zinc/79/28/46/863792846.db2.gz QBZRFXCKLUCYEW-BULFRSBZSA-N 2 1 382.552 3.716 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000158708529 863923793 /nfs/dbraw/zinc/92/37/93/863923793.db2.gz WTTIHJHVHRSXBA-SFYKDHMMSA-N 2 1 379.548 3.743 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000158708529 863923808 /nfs/dbraw/zinc/92/38/08/863923808.db2.gz WTTIHJHVHRSXBA-SFYKDHMMSA-N 2 1 379.548 3.743 20 0 GHADMP c1cc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n(-c2cc[nH+]cc2)n1 ZINC000667616355 863971596 /nfs/dbraw/zinc/97/15/96/863971596.db2.gz PZELJFDXEDUUFG-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccco2)c2ccccc2)C[C@@H]1n1ccnc1 ZINC000159010166 864008898 /nfs/dbraw/zinc/00/88/98/864008898.db2.gz UFAAXGFSDRRRMA-NQIIRXRSSA-N 2 1 378.476 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000159054981 864019471 /nfs/dbraw/zinc/01/94/71/864019471.db2.gz MCMRCUFKDNVLMO-GOSISDBHSA-N 2 1 389.609 3.609 20 0 GHADMP O=c1c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cccn1C(F)F ZINC000898520464 864082771 /nfs/dbraw/zinc/08/27/71/864082771.db2.gz ZHVQRWYBHOQDMX-HSALFYBXSA-N 2 1 387.474 3.634 20 0 GHADMP COc1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000621391857 864115349 /nfs/dbraw/zinc/11/53/49/864115349.db2.gz WVMXXNMVSOKZAM-GHTZIAJQSA-N 2 1 398.547 3.985 20 0 GHADMP COc1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000621391857 864115362 /nfs/dbraw/zinc/11/53/62/864115362.db2.gz WVMXXNMVSOKZAM-GHTZIAJQSA-N 2 1 398.547 3.985 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000475101421 864175161 /nfs/dbraw/zinc/17/51/61/864175161.db2.gz NZFDGDSRHPLWQZ-SFTDATJTSA-N 2 1 398.551 3.578 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2sc3nc(C)nc(C)c3c2C)[C@H](C)C1 ZINC000734510740 864269660 /nfs/dbraw/zinc/26/96/60/864269660.db2.gz YWZGYJVALZTBEM-RDTXWAMCSA-N 2 1 390.597 3.843 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1Oc1ccccc1 ZINC000480223186 864292638 /nfs/dbraw/zinc/29/26/38/864292638.db2.gz JWEMXCPQWQVDDN-GVAUOCQISA-N 2 1 394.559 3.908 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000607391114 864337071 /nfs/dbraw/zinc/33/70/71/864337071.db2.gz CYLPGVBJAJFPAB-QQKQFIJSSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000607391114 864337088 /nfs/dbraw/zinc/33/70/88/864337088.db2.gz CYLPGVBJAJFPAB-QQKQFIJSSA-N 2 1 396.575 3.736 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000607391114 864337104 /nfs/dbraw/zinc/33/71/04/864337104.db2.gz CYLPGVBJAJFPAB-QQKQFIJSSA-N 2 1 396.575 3.736 20 0 GHADMP COC(=O)C[C@@H]1CC[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@@H]1C ZINC000792874286 881763159 /nfs/dbraw/zinc/76/31/59/881763159.db2.gz UKIGKSFHADFLKX-ZWCUEREDSA-N 2 1 387.568 3.854 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c2cccs2)CC1 ZINC000554552885 864537196 /nfs/dbraw/zinc/53/71/96/864537196.db2.gz GJEGWZVQBYQXIF-CEWLAPEOSA-N 2 1 384.593 3.748 20 0 GHADMP C[C@@H]1CC([NH+]2CCN(c3cccc(O)c3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168059628 864586989 /nfs/dbraw/zinc/58/69/89/864586989.db2.gz ULBMHGOYNGRVEZ-WOJBJXKFSA-N 2 1 379.548 3.956 20 0 GHADMP CC[NH+](CC)[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)c1cccc(OC)c1 ZINC000480421866 864624225 /nfs/dbraw/zinc/62/42/25/864624225.db2.gz WUAXZDFABOMEKT-DEOSSOPVSA-N 2 1 396.579 3.727 20 0 GHADMP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475273995 864676944 /nfs/dbraw/zinc/67/69/44/864676944.db2.gz GWVIEFUYMLWAFB-QUCCMNQESA-N 2 1 381.520 3.524 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000184552397 864680648 /nfs/dbraw/zinc/68/06/48/864680648.db2.gz QIUNEHLOMSQJSU-NHCUHLMSSA-N 2 1 387.568 3.729 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000166681959 864748828 /nfs/dbraw/zinc/74/88/28/864748828.db2.gz HQDLJYLSIPDKIV-UONOGXRCSA-N 2 1 388.313 3.879 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000608012937 864915078 /nfs/dbraw/zinc/91/50/78/864915078.db2.gz TVWKLQSZDFSGSD-UHFFFAOYSA-N 2 1 393.575 3.925 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000554831580 864970274 /nfs/dbraw/zinc/97/02/74/864970274.db2.gz UYVHVVMOPJOUTL-QHCPKHFHSA-N 2 1 382.548 3.606 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000608168927 865064073 /nfs/dbraw/zinc/06/40/73/865064073.db2.gz RRDXYJZYLMQGAB-XMMPIXPASA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667723783 865065806 /nfs/dbraw/zinc/06/58/06/865065806.db2.gz GCVLWRFRPPKXHA-VGOFRKELSA-N 2 1 395.551 3.613 20 0 GHADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)Nc1cccc(C[NH3+])c1 ZINC000667723783 865065822 /nfs/dbraw/zinc/06/58/22/865065822.db2.gz GCVLWRFRPPKXHA-VGOFRKELSA-N 2 1 395.551 3.613 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000480686649 865086919 /nfs/dbraw/zinc/08/69/19/865086919.db2.gz CLPCUMUZYIPNFL-IBGZPJMESA-N 2 1 398.570 3.880 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000532361048 881839049 /nfs/dbraw/zinc/83/90/49/881839049.db2.gz WVWLQJUFFPDDIY-NHCUHLMSSA-N 3 1 386.628 3.675 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000622728453 865153732 /nfs/dbraw/zinc/15/37/32/865153732.db2.gz CBKJZPCLBWWMPO-QZTJIDSGSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000622728453 865153740 /nfs/dbraw/zinc/15/37/40/865153740.db2.gz CBKJZPCLBWWMPO-QZTJIDSGSA-N 2 1 385.474 3.641 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480735316 865167689 /nfs/dbraw/zinc/16/76/89/865167689.db2.gz SINSLEPIWWHKIX-WMZHIEFXSA-N 2 1 379.548 3.827 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480735316 865167696 /nfs/dbraw/zinc/16/76/96/865167696.db2.gz SINSLEPIWWHKIX-WMZHIEFXSA-N 2 1 379.548 3.827 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000480778771 865250847 /nfs/dbraw/zinc/25/08/47/865250847.db2.gz KZOQSJHATBZMMU-QGZVFWFLSA-N 2 1 389.565 3.749 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000920181023 881861879 /nfs/dbraw/zinc/86/18/79/881861879.db2.gz ZWCKNPPOVDMPSW-HXUWFJFHSA-N 2 1 396.579 3.816 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000555094906 865471964 /nfs/dbraw/zinc/47/19/64/865471964.db2.gz RBVPGJOHOMYWTF-GOTSBHOMSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000555094906 865471969 /nfs/dbraw/zinc/47/19/69/865471969.db2.gz RBVPGJOHOMYWTF-GOTSBHOMSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000555094906 865471973 /nfs/dbraw/zinc/47/19/73/865471973.db2.gz RBVPGJOHOMYWTF-GOTSBHOMSA-N 2 1 379.548 3.535 20 0 GHADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000738312768 865528158 /nfs/dbraw/zinc/52/81/58/865528158.db2.gz CBAUIOUKPSIPCV-DENIHFKCSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000608620107 865538353 /nfs/dbraw/zinc/53/83/53/865538353.db2.gz NNZDTWNDYWSSMA-HLIPFELVSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000608685439 865554550 /nfs/dbraw/zinc/55/45/50/865554550.db2.gz SCHLSDWQHPDJQY-IRLDBZIGSA-N 2 1 386.584 3.587 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNCc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494547531 881892777 /nfs/dbraw/zinc/89/27/77/881892777.db2.gz KHRPRHFHYDBUQZ-KRWDZBQOSA-N 2 1 380.458 3.772 20 0 GHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494547531 881892791 /nfs/dbraw/zinc/89/27/91/881892791.db2.gz KHRPRHFHYDBUQZ-KRWDZBQOSA-N 2 1 380.458 3.772 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494547531 881892807 /nfs/dbraw/zinc/89/28/07/881892807.db2.gz KHRPRHFHYDBUQZ-KRWDZBQOSA-N 2 1 380.458 3.772 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000899268483 865680855 /nfs/dbraw/zinc/68/08/55/865680855.db2.gz GKFCWIBOQADKNX-QHCPKHFHSA-N 2 1 385.596 3.566 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)C[NH+]1CCCC1 ZINC000481050564 865745261 /nfs/dbraw/zinc/74/52/61/865745261.db2.gz OIYJPFBFMWSFJG-IAGOWNOFSA-N 2 1 391.968 3.887 20 0 GHADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000508486120 866021302 /nfs/dbraw/zinc/02/13/02/866021302.db2.gz RYDHCVWNODFYON-NRFANRHFSA-N 2 1 386.584 3.728 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000175838516 866041580 /nfs/dbraw/zinc/04/15/80/866041580.db2.gz DMFHCSDZUOYFQL-DYESRHJHSA-N 2 1 381.524 3.512 20 0 GHADMP C[NH+](C)CCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C1CCCC1 ZINC000534096083 866125177 /nfs/dbraw/zinc/12/51/77/866125177.db2.gz CBBCOVGJCSNXQN-PMACEKPBSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+](C)CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C1CCCC1 ZINC000534096083 866125185 /nfs/dbraw/zinc/12/51/85/866125185.db2.gz CBBCOVGJCSNXQN-PMACEKPBSA-N 2 1 392.975 3.601 20 0 GHADMP COc1ccc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534230793 866302632 /nfs/dbraw/zinc/30/26/32/866302632.db2.gz LMNKHUPXFIPHHH-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP COc1ccc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534230793 866302641 /nfs/dbraw/zinc/30/26/41/866302641.db2.gz LMNKHUPXFIPHHH-UHFFFAOYSA-N 2 1 393.531 3.622 20 0 GHADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456326205 866445101 /nfs/dbraw/zinc/44/51/01/866445101.db2.gz GJRVSJXXEVXUBP-OAQYLSRUSA-N 2 1 391.559 3.877 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3cccc(F)c3)C3CC3)CC2)CC1 ZINC000552930684 866481265 /nfs/dbraw/zinc/48/12/65/866481265.db2.gz MCUFPTPHDRFSIP-UHFFFAOYSA-N 2 1 387.543 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1N(C)C ZINC000153492988 866536379 /nfs/dbraw/zinc/53/63/79/866536379.db2.gz NSIBNXQGCNEAKG-ROUUACIJSA-N 2 1 385.527 3.963 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1N(C)C ZINC000153492988 866536394 /nfs/dbraw/zinc/53/63/94/866536394.db2.gz NSIBNXQGCNEAKG-ROUUACIJSA-N 2 1 385.527 3.963 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(OC)c1OC ZINC000631615926 866578998 /nfs/dbraw/zinc/57/89/98/866578998.db2.gz FEJCHYJGHRCPJN-IFMALSPDSA-N 2 1 398.547 3.901 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000523150680 866771128 /nfs/dbraw/zinc/77/11/28/866771128.db2.gz VKPLMDOPJRKTRL-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000523150680 866771147 /nfs/dbraw/zinc/77/11/47/866771147.db2.gz VKPLMDOPJRKTRL-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000523150680 866771158 /nfs/dbraw/zinc/77/11/58/866771158.db2.gz VKPLMDOPJRKTRL-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000444592089 866915668 /nfs/dbraw/zinc/91/56/68/866915668.db2.gz DZZQNSVHZSZEOM-KURKYZTESA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000444592089 866915687 /nfs/dbraw/zinc/91/56/87/866915687.db2.gz DZZQNSVHZSZEOM-KURKYZTESA-N 2 1 383.540 3.661 20 0 GHADMP FC(F)(F)C[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)C1 ZINC000444699398 867083370 /nfs/dbraw/zinc/08/33/70/867083370.db2.gz UBXQTDKYDVVRQX-ZIAGYGMSSA-N 2 1 376.385 3.552 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553430067 867385164 /nfs/dbraw/zinc/38/51/64/867385164.db2.gz GUCCHHPMWDRODU-QFUCXCTJSA-N 2 1 384.568 3.578 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCC[C@H]1C ZINC000553432284 867387830 /nfs/dbraw/zinc/38/78/30/867387830.db2.gz XRFDDYKAQYPNGZ-LGVFNWMJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1CCCC[C@H]1C ZINC000553432284 867387841 /nfs/dbraw/zinc/38/78/41/867387841.db2.gz XRFDDYKAQYPNGZ-LGVFNWMJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1CCCC[C@H]1C ZINC000553432284 867387851 /nfs/dbraw/zinc/38/78/51/867387851.db2.gz XRFDDYKAQYPNGZ-LGVFNWMJSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000121347731 882085638 /nfs/dbraw/zinc/08/56/38/882085638.db2.gz KIFGCFPOULZYNX-SFHVURJKSA-N 2 1 383.540 3.663 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000857200788 882111658 /nfs/dbraw/zinc/11/16/58/882111658.db2.gz MMZWPCXWVQRKFC-VQTJNVASSA-N 2 1 391.559 3.775 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000479430385 867775953 /nfs/dbraw/zinc/77/59/53/867775953.db2.gz XGJQICCHENNOPI-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965332 867836247 /nfs/dbraw/zinc/83/62/47/867836247.db2.gz QZXBRVPNDQFSPS-RBBKRZOGSA-N 2 1 383.580 3.669 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000523782697 867955601 /nfs/dbraw/zinc/95/56/01/867955601.db2.gz AJIPQMPUSNRUTI-FXAWDEMLSA-N 2 1 394.991 3.706 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000479536510 867964883 /nfs/dbraw/zinc/96/48/83/867964883.db2.gz MCJAYTGIRYDKNZ-BHGTWAMESA-N 2 1 390.616 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000479536510 867964892 /nfs/dbraw/zinc/96/48/92/867964892.db2.gz MCJAYTGIRYDKNZ-BHGTWAMESA-N 2 1 390.616 3.688 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000479536510 867964902 /nfs/dbraw/zinc/96/49/02/867964902.db2.gz MCJAYTGIRYDKNZ-BHGTWAMESA-N 2 1 390.616 3.688 20 0 GHADMP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(-n2cc(Cl)cn2)n1 ZINC000190312009 882148513 /nfs/dbraw/zinc/14/85/13/882148513.db2.gz TYCNFCXPNYZQAA-UHFFFAOYSA-N 2 1 395.938 3.983 20 0 GHADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000475624433 868054975 /nfs/dbraw/zinc/05/49/75/868054975.db2.gz LZTDTSRYSHRVMJ-UHFFFAOYSA-N 2 1 390.487 3.908 20 0 GHADMP COc1nc2ccccc2cc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000535085349 868078536 /nfs/dbraw/zinc/07/85/36/868078536.db2.gz JXUPRVIXXQKQKU-HDICACEKSA-N 2 1 383.536 3.565 20 0 GHADMP CCCOc1ncccc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133325231 882176895 /nfs/dbraw/zinc/17/68/95/882176895.db2.gz BYWWRILQKSYCCY-UHFFFAOYSA-N 2 1 382.552 3.691 20 0 GHADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[NH+]2Cc2ccccc21 ZINC000524017867 868399448 /nfs/dbraw/zinc/39/94/48/868399448.db2.gz UBXGDAYDCYYVCP-XZOQPEGZSA-N 2 1 389.543 3.910 20 0 GHADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000524017867 868399460 /nfs/dbraw/zinc/39/94/60/868399460.db2.gz UBXGDAYDCYYVCP-XZOQPEGZSA-N 2 1 389.543 3.910 20 0 GHADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000524017867 868399481 /nfs/dbraw/zinc/39/94/81/868399481.db2.gz UBXGDAYDCYYVCP-XZOQPEGZSA-N 2 1 389.543 3.910 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)CC1 ZINC000457664379 868597951 /nfs/dbraw/zinc/59/79/51/868597951.db2.gz VBGJOWGMVLIXLE-XMMPIXPASA-N 2 1 398.595 3.546 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1Cl ZINC000524372259 868997435 /nfs/dbraw/zinc/99/74/35/868997435.db2.gz QTDAKFFFFNIGPL-FQEVSTJZSA-N 2 1 394.991 3.849 20 0 GHADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445812713 869015602 /nfs/dbraw/zinc/01/56/02/869015602.db2.gz ZKHMYQJYCKCUCI-KUHUBIRLSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000445812713 869015615 /nfs/dbraw/zinc/01/56/15/869015615.db2.gz ZKHMYQJYCKCUCI-KUHUBIRLSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000445812713 869015629 /nfs/dbraw/zinc/01/56/29/869015629.db2.gz ZKHMYQJYCKCUCI-KUHUBIRLSA-N 2 1 397.332 3.916 20 0 GHADMP Fc1cc(Br)cc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000445812713 869015644 /nfs/dbraw/zinc/01/56/44/869015644.db2.gz ZKHMYQJYCKCUCI-KUHUBIRLSA-N 2 1 397.332 3.916 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC2(CCCC2)C1 ZINC000445871054 869100481 /nfs/dbraw/zinc/10/04/81/869100481.db2.gz HTODGNKSBNKGIH-HXUWFJFHSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCc1ccccc1F ZINC000524452982 869104129 /nfs/dbraw/zinc/10/41/29/869104129.db2.gz DQWBIDHPDBETOK-OALUTQOASA-N 2 1 397.538 3.995 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccsc1 ZINC000524619250 869352033 /nfs/dbraw/zinc/35/20/33/869352033.db2.gz PSTKIOFJROXUOD-VQTJNVASSA-N 2 1 392.613 3.695 20 0 GHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccccc1OC(F)F ZINC000121906345 882306024 /nfs/dbraw/zinc/30/60/24/882306024.db2.gz LPCIBGOEUDAMFX-UHFFFAOYSA-N 2 1 395.494 3.815 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000508855949 869504981 /nfs/dbraw/zinc/50/49/81/869504981.db2.gz KZRFDOPWGJYVQE-UHFFFAOYSA-N 2 1 384.568 3.658 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnnn2Cc2ccccc2)[C@H]1c1cccs1 ZINC000491270849 869524066 /nfs/dbraw/zinc/52/40/66/869524066.db2.gz KIIJRNSLISPUDS-NQIIRXRSSA-N 2 1 381.549 3.561 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnnn2Cc2ccccc2)[C@H]1c1cccs1 ZINC000491270849 869524072 /nfs/dbraw/zinc/52/40/72/869524072.db2.gz KIIJRNSLISPUDS-NQIIRXRSSA-N 2 1 381.549 3.561 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000491274424 869542853 /nfs/dbraw/zinc/54/28/53/869542853.db2.gz ZMVNTOTZRWPSDP-MJGOQNOKSA-N 2 1 380.536 3.895 20 0 GHADMP COc1ccccc1-c1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000491274424 869542858 /nfs/dbraw/zinc/54/28/58/869542858.db2.gz ZMVNTOTZRWPSDP-MJGOQNOKSA-N 2 1 380.536 3.895 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000539714146 869655060 /nfs/dbraw/zinc/65/50/60/869655060.db2.gz MBSZXBAEAGFAOL-LJQANCHMSA-N 2 1 381.923 3.637 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnn(-c4ccc(Br)cc4)c3)CC[C@@H]21 ZINC000539895246 869982537 /nfs/dbraw/zinc/98/25/37/869982537.db2.gz ALGNKWBIIAEKBY-APWZRJJASA-N 2 1 389.341 3.551 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000525107179 869988288 /nfs/dbraw/zinc/98/82/88/869988288.db2.gz OUQHFKOCQPRHSO-JTAQYXEDSA-N 2 1 385.596 3.518 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191181917 882378547 /nfs/dbraw/zinc/37/85/47/882378547.db2.gz SNSKFWXSPBXIAG-IBGZPJMESA-N 2 1 397.611 3.935 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1)CC1CC1 ZINC000540046499 870252680 /nfs/dbraw/zinc/25/26/80/870252680.db2.gz FNLILRNVCDDCDK-SFHVURJKSA-N 2 1 389.559 3.664 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC001205591089 870258590 /nfs/dbraw/zinc/25/85/90/870258590.db2.gz DEAVREKIJUELAW-OAHLLOKOSA-N 2 1 381.236 3.703 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC001205591089 870258606 /nfs/dbraw/zinc/25/86/06/870258606.db2.gz DEAVREKIJUELAW-OAHLLOKOSA-N 2 1 381.236 3.703 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000540045005 870298195 /nfs/dbraw/zinc/29/81/95/870298195.db2.gz YNAVBONVZQIUKP-QHCPKHFHSA-N 2 1 392.547 3.816 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248407593 870382171 /nfs/dbraw/zinc/38/21/71/870382171.db2.gz ULDMNCFXMVEQGR-UXLLHSPISA-N 2 1 382.545 3.533 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248407593 870382232 /nfs/dbraw/zinc/38/22/32/870382232.db2.gz ULDMNCFXMVEQGR-UXLLHSPISA-N 2 1 382.545 3.533 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)c1 ZINC000248406526 870382753 /nfs/dbraw/zinc/38/27/53/870382753.db2.gz SMCTVVOOCVOCOF-NQIIRXRSSA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248406526 870382772 /nfs/dbraw/zinc/38/27/72/870382772.db2.gz SMCTVVOOCVOCOF-NQIIRXRSSA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248406526 870382790 /nfs/dbraw/zinc/38/27/90/870382790.db2.gz SMCTVVOOCVOCOF-NQIIRXRSSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000538721565 870418641 /nfs/dbraw/zinc/41/86/41/870418641.db2.gz RKCHJHJDPVFGAO-BGYRXZFFSA-N 2 1 382.552 3.584 20 0 GHADMP CCC[N@H+](Cc1ccc2c(c1)CCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000538727851 870443709 /nfs/dbraw/zinc/44/37/09/870443709.db2.gz BXOOUJQHJIEDSX-UHFFFAOYSA-N 2 1 380.536 3.909 20 0 GHADMP CCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000538727851 870443723 /nfs/dbraw/zinc/44/37/23/870443723.db2.gz BXOOUJQHJIEDSX-UHFFFAOYSA-N 2 1 380.536 3.909 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000538723920 870519832 /nfs/dbraw/zinc/51/98/32/870519832.db2.gz GWJJZERGUBFVDD-AVRDEDQJSA-N 2 1 385.527 3.852 20 0 GHADMP Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000538723920 870519845 /nfs/dbraw/zinc/51/98/45/870519845.db2.gz GWJJZERGUBFVDD-AVRDEDQJSA-N 2 1 385.527 3.852 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000462958908 870541599 /nfs/dbraw/zinc/54/15/99/870541599.db2.gz RMUTTYHTWSGDPH-YZGWKJHDSA-N 2 1 381.495 3.574 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000462958908 870541627 /nfs/dbraw/zinc/54/16/27/870541627.db2.gz RMUTTYHTWSGDPH-YZGWKJHDSA-N 2 1 381.495 3.574 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000538752674 870570386 /nfs/dbraw/zinc/57/03/86/870570386.db2.gz DQCTVZFHFXGCEH-UHFFFAOYSA-N 2 1 384.568 3.751 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1csc(Cl)c1 ZINC000248700266 870595779 /nfs/dbraw/zinc/59/57/79/870595779.db2.gz MNAYLJBKIQSEBK-RHSMWYFYSA-N 2 1 391.968 3.950 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000174126495 882428353 /nfs/dbraw/zinc/42/83/53/882428353.db2.gz IXCQAFRHUNLCGV-AUSIDOKSSA-N 2 1 379.548 3.873 20 0 GHADMP CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000540171121 870656018 /nfs/dbraw/zinc/65/60/18/870656018.db2.gz RLPHSJDCQNLDQR-XZOQPEGZSA-N 2 1 390.568 3.866 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000525448094 870704539 /nfs/dbraw/zinc/70/45/39/870704539.db2.gz MZQREAKMEYWEJB-OFNKIYASSA-N 2 1 394.563 3.595 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC[C@H](C(F)(F)F)C1 ZINC000249178330 870780802 /nfs/dbraw/zinc/78/08/02/870780802.db2.gz GMSYOALLPRZNEH-XDWAVFMPSA-N 2 1 396.497 3.970 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001168837993 870895686 /nfs/dbraw/zinc/89/56/86/870895686.db2.gz FFJZWYVVXSMYCV-QGZVKYPTSA-N 2 1 388.556 3.551 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1NC(C)=O ZINC000463113828 870914920 /nfs/dbraw/zinc/91/49/20/870914920.db2.gz DQNFOHSSFRYVCV-UWJYYQICSA-N 2 1 381.520 3.796 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1NC(C)=O ZINC000463113828 870914930 /nfs/dbraw/zinc/91/49/30/870914930.db2.gz DQNFOHSSFRYVCV-UWJYYQICSA-N 2 1 381.520 3.796 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC000463120223 870958844 /nfs/dbraw/zinc/95/88/44/870958844.db2.gz UKIXVJDEIFSYAP-BVSLBCMMSA-N 2 1 379.548 3.917 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC000463120223 870958850 /nfs/dbraw/zinc/95/88/50/870958850.db2.gz UKIXVJDEIFSYAP-BVSLBCMMSA-N 2 1 379.548 3.917 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC000463120224 870959090 /nfs/dbraw/zinc/95/90/90/870959090.db2.gz UKIXVJDEIFSYAP-FCEUIQTBSA-N 2 1 379.548 3.917 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)c1 ZINC000463120224 870959107 /nfs/dbraw/zinc/95/91/07/870959107.db2.gz UKIXVJDEIFSYAP-FCEUIQTBSA-N 2 1 379.548 3.917 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463145786 870974021 /nfs/dbraw/zinc/97/40/21/870974021.db2.gz YOQUFDIPPFVOQV-NFBKMPQASA-N 2 1 378.564 3.689 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463145786 870974023 /nfs/dbraw/zinc/97/40/23/870974023.db2.gz YOQUFDIPPFVOQV-NFBKMPQASA-N 2 1 378.564 3.689 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000447094882 871014474 /nfs/dbraw/zinc/01/44/74/871014474.db2.gz AUJQACQMOQHNFH-KUWBRRTOSA-N 2 1 398.522 3.899 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001193324483 871023540 /nfs/dbraw/zinc/02/35/40/871023540.db2.gz NUJBHASOYGSSJP-UHFFFAOYSA-N 3 1 387.612 3.853 20 0 GHADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429697789 871046948 /nfs/dbraw/zinc/04/69/48/871046948.db2.gz MKPRLQPACJRSSL-NZQKXSOJSA-N 2 1 399.604 3.718 20 0 GHADMP C[C@@H](c1ccsc1)[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429697789 871046964 /nfs/dbraw/zinc/04/69/64/871046964.db2.gz MKPRLQPACJRSSL-NZQKXSOJSA-N 2 1 399.604 3.718 20 0 GHADMP COCC[N@@H+](C)CCCC1CCN(Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000122199980 882470899 /nfs/dbraw/zinc/47/08/99/882470899.db2.gz PDZPKRQZMZUOKF-UHFFFAOYSA-N 2 1 386.540 3.615 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000122199980 882470908 /nfs/dbraw/zinc/47/09/08/882470908.db2.gz PDZPKRQZMZUOKF-UHFFFAOYSA-N 2 1 386.540 3.615 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000122199980 882470915 /nfs/dbraw/zinc/47/09/15/882470915.db2.gz PDZPKRQZMZUOKF-UHFFFAOYSA-N 2 1 386.540 3.615 20 0 GHADMP COc1ccc(O[C@H](C)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000463206497 871135803 /nfs/dbraw/zinc/13/58/03/871135803.db2.gz PMCPSRGCYDVQHP-GOSISDBHSA-N 2 1 386.511 3.898 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1CC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169096818 871171860 /nfs/dbraw/zinc/17/18/60/871171860.db2.gz YTZBDRGIOXHBRR-REPLKXPHSA-N 2 1 377.573 3.629 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000539056378 871190809 /nfs/dbraw/zinc/19/08/09/871190809.db2.gz JGKZFRGZILMRFI-HBFSDRIKSA-N 2 1 386.540 3.567 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131436 871223805 /nfs/dbraw/zinc/22/38/05/871223805.db2.gz URGAEQLQMJMKRA-NHAYFPRASA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131436 871223815 /nfs/dbraw/zinc/22/38/15/871223815.db2.gz URGAEQLQMJMKRA-NHAYFPRASA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131436 871223833 /nfs/dbraw/zinc/22/38/33/871223833.db2.gz URGAEQLQMJMKRA-NHAYFPRASA-N 2 1 399.526 3.580 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)C(=O)N(CC1CC1)[C@@H]3c1ccccc1)C2 ZINC001169136823 871224581 /nfs/dbraw/zinc/22/45/81/871224581.db2.gz AFCKOIXVXLJCRO-WZYRSQIMSA-N 2 1 393.575 3.687 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)C(=O)N(CC1CC1)[C@H]3c1ccccc1)C2 ZINC001169136821 871225521 /nfs/dbraw/zinc/22/55/21/871225521.db2.gz AFCKOIXVXLJCRO-BJESRGMDSA-N 2 1 393.575 3.687 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(CC(=O)OCc3ccccc3)cc1)C2 ZINC001169107851 871232989 /nfs/dbraw/zinc/23/29/89/871232989.db2.gz LJCGWLQWWBDRHA-NUNAXRQHSA-N 2 1 378.516 3.687 20 0 GHADMP CC[NH+]1CCC([N@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001169249231 871347602 /nfs/dbraw/zinc/34/76/02/871347602.db2.gz FWICXGQSHKPOTA-LEWJYISDSA-N 2 1 385.552 3.689 20 0 GHADMP CC[NH+]1CCC([N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001169249231 871347624 /nfs/dbraw/zinc/34/76/24/871347624.db2.gz FWICXGQSHKPOTA-LEWJYISDSA-N 2 1 385.552 3.689 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000252696341 871349385 /nfs/dbraw/zinc/34/93/85/871349385.db2.gz ZIFHDURSLOVSJP-RDJZCZTQSA-N 2 1 399.398 3.813 20 0 GHADMP COC(=O)CCC[NH+]1CCC(Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000463302628 871372519 /nfs/dbraw/zinc/37/25/19/871372519.db2.gz PHZOPYYJRKSNKW-LJQANCHMSA-N 2 1 387.568 3.891 20 0 GHADMP CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001169396949 871467757 /nfs/dbraw/zinc/46/77/57/871467757.db2.gz VPXHBAKDLIWMHH-DEOSSOPVSA-N 2 1 382.548 3.682 20 0 GHADMP CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001169396949 871467759 /nfs/dbraw/zinc/46/77/59/871467759.db2.gz VPXHBAKDLIWMHH-DEOSSOPVSA-N 2 1 382.548 3.682 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000539201092 871489502 /nfs/dbraw/zinc/48/95/02/871489502.db2.gz MIBFWPITMNJHTL-UWJYYQICSA-N 2 1 399.966 3.758 20 0 GHADMP COC(=O)[C@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000191577960 882522154 /nfs/dbraw/zinc/52/21/54/882522154.db2.gz LAFNDYUKMGLZQP-XMMPIXPASA-N 2 1 398.522 3.553 20 0 GHADMP Cc1ccc(N[C@@H]2C[C@@H](C(=O)OCc3ccccc3)CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC001169520604 871595688 /nfs/dbraw/zinc/59/56/88/871595688.db2.gz NJZOQSLNORIGFH-NZQKXSOJSA-N 2 1 395.547 3.928 20 0 GHADMP CC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)C1 ZINC001169589957 871650699 /nfs/dbraw/zinc/65/06/99/871650699.db2.gz WHCNBRWOVORNJD-GVAUOCQISA-N 2 1 391.559 3.645 20 0 GHADMP CC[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000539296077 871659240 /nfs/dbraw/zinc/65/92/40/871659240.db2.gz XTKCPIUOVXPUKO-XQBPLPMBSA-N 2 1 384.568 3.670 20 0 GHADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000540599777 871669787 /nfs/dbraw/zinc/66/97/87/871669787.db2.gz RGROROVPRPYFOU-UHFFFAOYSA-N 2 1 397.563 3.887 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000540599777 871669791 /nfs/dbraw/zinc/66/97/91/871669791.db2.gz RGROROVPRPYFOU-UHFFFAOYSA-N 2 1 397.563 3.887 20 0 GHADMP [NH3+]CCc1cn(-c2c[nH+]c3c(c2)CCCN3)c2cc(OC(F)(F)F)ccc12 ZINC001169611372 871705426 /nfs/dbraw/zinc/70/54/26/871705426.db2.gz ALVDEIDKDILJEX-UHFFFAOYSA-N 2 1 376.382 3.561 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169757790 871843529 /nfs/dbraw/zinc/84/35/29/871843529.db2.gz TUHBPZRJFCWMAV-AGILITTLSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169757790 871843542 /nfs/dbraw/zinc/84/35/42/871843542.db2.gz TUHBPZRJFCWMAV-AGILITTLSA-N 2 1 391.559 3.791 20 0 GHADMP O=C1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1c1ccccc1 ZINC000447561242 871866260 /nfs/dbraw/zinc/86/62/60/871866260.db2.gz GZXUUHYJEZEJMO-YXPKMTABSA-N 2 1 375.516 3.577 20 0 GHADMP O=C1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1c1ccccc1 ZINC000447561242 871866280 /nfs/dbraw/zinc/86/62/80/871866280.db2.gz GZXUUHYJEZEJMO-YXPKMTABSA-N 2 1 375.516 3.577 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000552044047 871925351 /nfs/dbraw/zinc/92/53/51/871925351.db2.gz NHIKZQTWYCCHBN-SBFWRKJZSA-N 2 1 386.580 3.710 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000552046817 871930326 /nfs/dbraw/zinc/93/03/26/871930326.db2.gz SXWWWCAYHZTSEX-HRTMPFAESA-N 2 1 386.511 3.598 20 0 GHADMP CC(C)C[C@H]([NH2+][C@H](C)c1cc(Cl)sc1Cl)C(=O)NCC[NH+](C)C ZINC000540744872 872090228 /nfs/dbraw/zinc/09/02/28/872090228.db2.gz WOPVCEAXUFMPQP-YPMHNXCESA-N 2 1 380.385 3.798 20 0 GHADMP CCC[N@H+](Cc1cnn(C(C)(C)C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417605 872165553 /nfs/dbraw/zinc/16/55/53/872165553.db2.gz BIVPLRVIQYRIES-UHFFFAOYSA-N 2 1 384.572 3.926 20 0 GHADMP CCC[N@@H+](Cc1cnn(C(C)(C)C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417605 872165561 /nfs/dbraw/zinc/16/55/61/872165561.db2.gz BIVPLRVIQYRIES-UHFFFAOYSA-N 2 1 384.572 3.926 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000540808360 872225579 /nfs/dbraw/zinc/22/55/79/872225579.db2.gz UZHHEMHUPXAQGH-UHFFFAOYSA-N 2 1 392.503 3.935 20 0 GHADMP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093659879 872326097 /nfs/dbraw/zinc/32/60/97/872326097.db2.gz YWNLTGNZHBKXIR-HXUWFJFHSA-N 2 1 398.551 3.555 20 0 GHADMP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093659879 872326105 /nfs/dbraw/zinc/32/61/05/872326105.db2.gz YWNLTGNZHBKXIR-HXUWFJFHSA-N 2 1 398.551 3.555 20 0 GHADMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093659879 872326110 /nfs/dbraw/zinc/32/61/10/872326110.db2.gz YWNLTGNZHBKXIR-HXUWFJFHSA-N 2 1 398.551 3.555 20 0 GHADMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000093659879 872326127 /nfs/dbraw/zinc/32/61/27/872326127.db2.gz YWNLTGNZHBKXIR-HXUWFJFHSA-N 2 1 398.551 3.555 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000552270850 872333336 /nfs/dbraw/zinc/33/33/36/872333336.db2.gz GBIOPUNLBSPTCL-GRGSLBFTSA-N 2 1 383.458 3.626 20 0 GHADMP C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478023190 872334886 /nfs/dbraw/zinc/33/48/86/872334886.db2.gz BOAXHFAEQFGUJL-UHFFFAOYSA-N 2 1 375.900 3.594 20 0 GHADMP Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000619176592 872393635 /nfs/dbraw/zinc/39/36/35/872393635.db2.gz DZZAPDCEMFKEGR-GOSISDBHSA-N 2 1 396.535 3.671 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000619176717 872394313 /nfs/dbraw/zinc/39/43/13/872394313.db2.gz IDIPZRZIDHNOJH-UHFFFAOYSA-N 2 1 396.491 3.953 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000465563422 872434866 /nfs/dbraw/zinc/43/48/66/872434866.db2.gz GVHMIHSBQMMQIY-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000093844584 872450155 /nfs/dbraw/zinc/45/01/55/872450155.db2.gz ZUPASEATSVYEFW-LJQANCHMSA-N 2 1 381.568 3.959 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CC1 ZINC000527020673 872489510 /nfs/dbraw/zinc/48/95/10/872489510.db2.gz JKNHISAZETVWAD-UHFFFAOYSA-N 2 1 386.927 3.960 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000527087384 872587947 /nfs/dbraw/zinc/58/79/47/872587947.db2.gz OJJLUEZLDJJMFO-UXHICEINSA-N 2 1 386.584 3.909 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)CC1 ZINC000541201119 873125253 /nfs/dbraw/zinc/12/52/53/873125253.db2.gz ARSHWTQDVUVJNE-SQUSKLHYSA-N 2 1 389.609 3.995 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000448260148 873137183 /nfs/dbraw/zinc/13/71/83/873137183.db2.gz JQDAXBFNKKNIDX-HKBOAZHASA-N 2 1 395.551 3.531 20 0 GHADMP CC(C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001196499395 873173250 /nfs/dbraw/zinc/17/32/50/873173250.db2.gz YXBZYCSKKBCSEQ-QHCPKHFHSA-N 2 1 385.596 3.568 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000448420845 873355008 /nfs/dbraw/zinc/35/50/08/873355008.db2.gz HTBLAPIOFOFQME-SFTDATJTSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000448420845 873355024 /nfs/dbraw/zinc/35/50/24/873355024.db2.gz HTBLAPIOFOFQME-SFTDATJTSA-N 2 1 389.559 3.522 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000448420845 873355039 /nfs/dbraw/zinc/35/50/39/873355039.db2.gz HTBLAPIOFOFQME-SFTDATJTSA-N 2 1 389.559 3.522 20 0 GHADMP CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000237004075 882718512 /nfs/dbraw/zinc/71/85/12/882718512.db2.gz PMNYIAYHIXHSLF-PBHICJAKSA-N 2 1 382.346 3.630 20 0 GHADMP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000134080378 882722679 /nfs/dbraw/zinc/72/26/79/882722679.db2.gz YXHUGSHNTRFORI-ZCNNSNEGSA-N 2 1 397.567 3.540 20 0 GHADMP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000134080378 882722694 /nfs/dbraw/zinc/72/26/94/882722694.db2.gz YXHUGSHNTRFORI-ZCNNSNEGSA-N 2 1 397.567 3.540 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000541425144 873536472 /nfs/dbraw/zinc/53/64/72/873536472.db2.gz MCEFEJFVPCPBOR-VQTJNVASSA-N 2 1 384.568 3.580 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC2(CC1)COCCO2)c1ccccc1 ZINC001197254463 873676753 /nfs/dbraw/zinc/67/67/53/873676753.db2.gz GUOBMQBMSXPGRH-DEOSSOPVSA-N 2 1 394.559 3.784 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000760161434 882752038 /nfs/dbraw/zinc/75/20/38/882752038.db2.gz VCLMVDJQLBRAIA-YLJYHZDGSA-N 2 1 375.557 3.585 20 0 GHADMP COc1ccc(CN2CC[C@@H]2C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000527972938 873814534 /nfs/dbraw/zinc/81/45/34/873814534.db2.gz ZSBULAGXNZFLHE-AGILITTLSA-N 2 1 393.575 3.770 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769217955 873898394 /nfs/dbraw/zinc/89/83/94/873898394.db2.gz QFHRGXRJWLRSIA-IEBWSBKVSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769217955 873898411 /nfs/dbraw/zinc/89/84/11/873898411.db2.gz QFHRGXRJWLRSIA-IEBWSBKVSA-N 2 1 376.541 3.683 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000769217955 873898428 /nfs/dbraw/zinc/89/84/28/873898428.db2.gz QFHRGXRJWLRSIA-IEBWSBKVSA-N 2 1 376.541 3.683 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cncc4ccccc43)CC2)CC1 ZINC000769528357 874136983 /nfs/dbraw/zinc/13/69/83/874136983.db2.gz VXDURMYVLZAXBM-UHFFFAOYSA-N 2 1 380.580 3.863 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cncc2ccccc21 ZINC000769528357 874136985 /nfs/dbraw/zinc/13/69/85/874136985.db2.gz VXDURMYVLZAXBM-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cncc2ccccc21 ZINC000769528357 874136990 /nfs/dbraw/zinc/13/69/90/874136990.db2.gz VXDURMYVLZAXBM-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000769676248 874227669 /nfs/dbraw/zinc/22/76/69/874227669.db2.gz AMPITSZSQFHIBB-MSOLQXFVSA-N 2 1 375.557 3.716 20 0 GHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000769676248 874227702 /nfs/dbraw/zinc/22/77/02/874227702.db2.gz AMPITSZSQFHIBB-MSOLQXFVSA-N 2 1 375.557 3.716 20 0 GHADMP CC[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000541768460 874261748 /nfs/dbraw/zinc/26/17/48/874261748.db2.gz PWHCVRVKZZMHJA-XQBPLPMBSA-N 2 1 384.568 3.670 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC001198202491 874270775 /nfs/dbraw/zinc/27/07/75/874270775.db2.gz NVAUDJONPYKADJ-GOTSBHOMSA-N 2 1 393.575 3.921 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000464778486 874475892 /nfs/dbraw/zinc/47/58/92/874475892.db2.gz QJCBKPKFTQNXKX-NFBKMPQASA-N 2 1 382.548 3.757 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000464778486 874475901 /nfs/dbraw/zinc/47/59/01/874475901.db2.gz QJCBKPKFTQNXKX-NFBKMPQASA-N 2 1 382.548 3.757 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(F)cc(OC)c3)CC2)cs1 ZINC000449149496 874536941 /nfs/dbraw/zinc/53/69/41/874536941.db2.gz NVZAPQNJBZMIJJ-UHFFFAOYSA-N 2 1 377.529 3.855 20 0 GHADMP CCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000541952751 874622162 /nfs/dbraw/zinc/62/21/62/874622162.db2.gz ZDPUDKSKWOSTQB-HNNXBMFYSA-N 2 1 382.533 3.772 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464846927 874627210 /nfs/dbraw/zinc/62/72/10/874627210.db2.gz KLJRUJRMOGAUIB-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464846927 874627216 /nfs/dbraw/zinc/62/72/16/874627216.db2.gz KLJRUJRMOGAUIB-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464846927 874627223 /nfs/dbraw/zinc/62/72/23/874627223.db2.gz KLJRUJRMOGAUIB-FQEVSTJZSA-N 2 1 383.511 3.917 20 0 GHADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449310279 874685719 /nfs/dbraw/zinc/68/57/19/874685719.db2.gz GBWIKUVWECXSGC-UCFCWBNQSA-N 2 1 396.579 3.979 20 0 GHADMP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449301782 874691388 /nfs/dbraw/zinc/69/13/88/874691388.db2.gz SPNSFHMKNYBLBL-XLIONFOSSA-N 2 1 378.582 3.580 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000528560245 874705623 /nfs/dbraw/zinc/70/56/23/874705623.db2.gz KTNWOIAGCYPRIS-OAQYLSRUSA-N 2 1 389.971 3.639 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000528560245 874705628 /nfs/dbraw/zinc/70/56/28/874705628.db2.gz KTNWOIAGCYPRIS-OAQYLSRUSA-N 2 1 389.971 3.639 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)c2ccccc2F)CC1 ZINC000550939745 882857231 /nfs/dbraw/zinc/85/72/31/882857231.db2.gz FCSUKTPSZUDDMU-UHFFFAOYSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000449334524 874751956 /nfs/dbraw/zinc/75/19/56/874751956.db2.gz FBKFHUAOGXDWIA-CJFMBICVSA-N 2 1 393.575 3.761 20 0 GHADMP CC(C)n1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000449413698 874806472 /nfs/dbraw/zinc/80/64/72/874806472.db2.gz JVGZRMXILKVWJM-QFIPXVFZSA-N 2 1 381.568 3.982 20 0 GHADMP CC(C)n1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000449413698 874806483 /nfs/dbraw/zinc/80/64/83/874806483.db2.gz JVGZRMXILKVWJM-QFIPXVFZSA-N 2 1 381.568 3.982 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)CC1)CC1CC1 ZINC000770686658 874827015 /nfs/dbraw/zinc/82/70/15/874827015.db2.gz NWZAJRVMOGDRNG-WMZHIEFXSA-N 2 1 383.580 3.998 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000542092053 874931946 /nfs/dbraw/zinc/93/19/46/874931946.db2.gz AAHWICNRGXKVIW-HXUWFJFHSA-N 2 1 385.596 3.794 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502768 874965054 /nfs/dbraw/zinc/96/50/54/874965054.db2.gz PAPNFJCLUQKXRD-JOCHJYFZSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502768 874965061 /nfs/dbraw/zinc/96/50/61/874965061.db2.gz PAPNFJCLUQKXRD-JOCHJYFZSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502768 874965071 /nfs/dbraw/zinc/96/50/71/874965071.db2.gz PAPNFJCLUQKXRD-JOCHJYFZSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)CC1 ZINC000449502768 874965078 /nfs/dbraw/zinc/96/50/78/874965078.db2.gz PAPNFJCLUQKXRD-JOCHJYFZSA-N 2 1 379.548 3.606 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000449512003 874977164 /nfs/dbraw/zinc/97/71/64/874977164.db2.gz ZCIBXOCVLVCDFN-XUZZJYLKSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000449512003 874977170 /nfs/dbraw/zinc/97/71/70/874977170.db2.gz ZCIBXOCVLVCDFN-XUZZJYLKSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000449512003 874977177 /nfs/dbraw/zinc/97/71/77/874977177.db2.gz ZCIBXOCVLVCDFN-XUZZJYLKSA-N 2 1 385.596 3.522 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H](C)CCc3ccccc3)C2)CC1 ZINC000449512003 874977183 /nfs/dbraw/zinc/97/71/83/874977183.db2.gz ZCIBXOCVLVCDFN-XUZZJYLKSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5ccccn5)C4)[C@H]3C2)cc1 ZINC000449615298 875155812 /nfs/dbraw/zinc/15/58/12/875155812.db2.gz KVTGMCDZVFVWMV-HZQHDGKWSA-N 2 1 377.532 3.802 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000105442903 875297491 /nfs/dbraw/zinc/29/74/91/875297491.db2.gz HYPWKMWKAHVKRV-CYBMUJFWSA-N 2 1 394.313 3.541 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OCc1cccnc1 ZINC000105457048 875298830 /nfs/dbraw/zinc/29/88/30/875298830.db2.gz MUWIFFODEFIEFJ-HXUWFJFHSA-N 2 1 383.536 3.879 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000120025683 875404358 /nfs/dbraw/zinc/40/43/58/875404358.db2.gz CVKZGAMSFODRCD-IBGZPJMESA-N 2 1 389.588 3.658 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000120025683 875404363 /nfs/dbraw/zinc/40/43/63/875404363.db2.gz CVKZGAMSFODRCD-IBGZPJMESA-N 2 1 389.588 3.658 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(F)cccc2Br)cc1 ZINC000192481995 882929656 /nfs/dbraw/zinc/92/96/56/882929656.db2.gz AEOBYVZLZCTGGW-UHFFFAOYSA-N 2 1 381.289 3.818 20 0 GHADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000542351708 875440405 /nfs/dbraw/zinc/44/04/05/875440405.db2.gz AFKFTQXPLJGUMY-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000542351708 875440413 /nfs/dbraw/zinc/44/04/13/875440413.db2.gz AFKFTQXPLJGUMY-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542351708 875440417 /nfs/dbraw/zinc/44/04/17/875440417.db2.gz AFKFTQXPLJGUMY-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC3 ZINC000491420103 875699354 /nfs/dbraw/zinc/69/93/54/875699354.db2.gz AMXQAYRWJADFGH-NRFANRHFSA-N 2 1 389.543 3.956 20 0 GHADMP c1ccc(CCC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001201662079 875820959 /nfs/dbraw/zinc/82/09/59/875820959.db2.gz FFSXHWJGYWDUFC-UHFFFAOYSA-N 2 1 379.548 3.629 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491588152 875846738 /nfs/dbraw/zinc/84/67/38/875846738.db2.gz FQQKNQQPOSSDMJ-ZDUSSCGKSA-N 2 1 379.346 3.539 20 0 GHADMP C[N@H+]1CC[C@@H](NCc2ccc(I)c(Cl)c2)CC1(C)C ZINC001202157406 876034324 /nfs/dbraw/zinc/03/43/24/876034324.db2.gz ASPRDILZOPDMGP-GFCCVEGCSA-N 2 1 392.712 3.907 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC1(C)C ZINC001202157406 876034340 /nfs/dbraw/zinc/03/43/40/876034340.db2.gz ASPRDILZOPDMGP-GFCCVEGCSA-N 2 1 392.712 3.907 20 0 GHADMP CC[C@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000450225603 876114296 /nfs/dbraw/zinc/11/42/96/876114296.db2.gz HCDVCACPZDGAPI-KBAYOESNSA-N 2 1 391.522 3.761 20 0 GHADMP Cc1cccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)Cc2ccccn2)c1 ZINC000192770273 883012795 /nfs/dbraw/zinc/01/27/95/883012795.db2.gz PCLMBMGWHHEKAO-UHFFFAOYSA-N 2 1 380.580 3.808 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180105293 883019565 /nfs/dbraw/zinc/01/95/65/883019565.db2.gz GFEJMHZZFPTXJY-CRHVVPOVSA-N 2 1 396.531 3.522 20 0 GHADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccc(F)cc2)cc1 ZINC000492224729 876448498 /nfs/dbraw/zinc/44/84/98/876448498.db2.gz NTSYJYGSJRNAFW-GGAORHGYSA-N 2 1 386.511 3.750 20 0 GHADMP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000173532294 876450181 /nfs/dbraw/zinc/45/01/81/876450181.db2.gz OXJVFWHIAQUIRD-ICSRJNTNSA-N 2 1 392.613 3.552 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000173564697 876476520 /nfs/dbraw/zinc/47/65/20/876476520.db2.gz JQWJTKMXRVFOGC-QFIPXVFZSA-N 2 1 386.584 3.688 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192931795 883050635 /nfs/dbraw/zinc/05/06/35/883050635.db2.gz YMRSZTXLIDWLKQ-KRWDZBQOSA-N 2 1 376.447 3.908 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192931795 883050653 /nfs/dbraw/zinc/05/06/53/883050653.db2.gz YMRSZTXLIDWLKQ-KRWDZBQOSA-N 2 1 376.447 3.908 20 0 GHADMP C[C@@H](c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1)C(F)(F)F ZINC000450642306 876699103 /nfs/dbraw/zinc/69/91/03/876699103.db2.gz IMSACKVMKQXRSF-UWVAXJGDSA-N 2 1 383.502 3.810 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000390932288 877012705 /nfs/dbraw/zinc/01/27/05/877012705.db2.gz LGJLPKLGFNVISR-CTNGQTDRSA-N 2 1 388.577 3.516 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000390932288 877012715 /nfs/dbraw/zinc/01/27/15/877012715.db2.gz LGJLPKLGFNVISR-CTNGQTDRSA-N 2 1 388.577 3.516 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000390932292 877012865 /nfs/dbraw/zinc/01/28/65/877012865.db2.gz LGJLPKLGFNVISR-PZJWPPBQSA-N 2 1 388.577 3.516 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000390932292 877012877 /nfs/dbraw/zinc/01/28/77/877012877.db2.gz LGJLPKLGFNVISR-PZJWPPBQSA-N 2 1 388.577 3.516 20 0 GHADMP Cn1c2ccc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2sc1=O ZINC000195018021 883109577 /nfs/dbraw/zinc/10/95/77/883109577.db2.gz LUPASKWIVBIUGR-IBGZPJMESA-N 2 1 381.545 3.554 20 0 GHADMP Cn1c2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2sc1=O ZINC000195018021 883109581 /nfs/dbraw/zinc/10/95/81/883109581.db2.gz LUPASKWIVBIUGR-IBGZPJMESA-N 2 1 381.545 3.554 20 0 GHADMP Cn1c2ccc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000195018021 883109590 /nfs/dbraw/zinc/10/95/90/883109590.db2.gz LUPASKWIVBIUGR-IBGZPJMESA-N 2 1 381.545 3.554 20 0 GHADMP Cn1c2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000195018021 883109596 /nfs/dbraw/zinc/10/95/96/883109596.db2.gz LUPASKWIVBIUGR-IBGZPJMESA-N 2 1 381.545 3.554 20 0 GHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218329 877304254 /nfs/dbraw/zinc/30/42/54/877304254.db2.gz VXVULPYREBSZPX-XHDPSFHLSA-N 2 1 389.849 3.950 20 0 GHADMP Fc1ccccc1-c1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530239859 877348889 /nfs/dbraw/zinc/34/88/89/877348889.db2.gz IGXYRNVDDHDUON-QGZVFWFLSA-N 2 1 375.513 3.540 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000136747808 877363006 /nfs/dbraw/zinc/36/30/06/877363006.db2.gz QICWIEOZPNPDHC-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136747808 877363021 /nfs/dbraw/zinc/36/30/21/877363021.db2.gz QICWIEOZPNPDHC-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136747808 877363040 /nfs/dbraw/zinc/36/30/40/877363040.db2.gz QICWIEOZPNPDHC-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996744 877431438 /nfs/dbraw/zinc/43/14/38/877431438.db2.gz CZKSAJYJSSUTGH-QGZVFWFLSA-N 2 1 389.341 3.708 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000530340828 877578327 /nfs/dbraw/zinc/57/83/27/877578327.db2.gz CFEDQHHHMHAAEP-NRFANRHFSA-N 2 1 380.536 3.774 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)c2)CCO1 ZINC000237583027 877634625 /nfs/dbraw/zinc/63/46/25/877634625.db2.gz VXBUMRWORLDFHE-GOSISDBHSA-N 2 1 380.532 3.911 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)c2)CCO1 ZINC000237583027 877634631 /nfs/dbraw/zinc/63/46/31/877634631.db2.gz VXBUMRWORLDFHE-GOSISDBHSA-N 2 1 380.532 3.911 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1cccs1 ZINC000175517557 877747793 /nfs/dbraw/zinc/74/77/93/877747793.db2.gz DXJBQKJOMBOXFJ-YLJYHZDGSA-N 2 1 392.613 3.743 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245427988 877857075 /nfs/dbraw/zinc/85/70/75/877857075.db2.gz WSIMOKJINJEFOC-YADHBBJMSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245427988 877857092 /nfs/dbraw/zinc/85/70/92/877857092.db2.gz WSIMOKJINJEFOC-YADHBBJMSA-N 2 1 387.543 3.657 20 0 GHADMP CC1(C)CC(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000615606057 877913757 /nfs/dbraw/zinc/91/37/57/877913757.db2.gz YRFPMMVDHXDCGW-UHFFFAOYSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000788244596 877945940 /nfs/dbraw/zinc/94/59/40/877945940.db2.gz NTWWPNXDMOUBJW-LAUBAEHRSA-N 2 1 387.568 3.727 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCCC[C@@H]1C ZINC000615672173 877999361 /nfs/dbraw/zinc/99/93/61/877999361.db2.gz MOPFFCRVRBJFHX-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000615672173 877999369 /nfs/dbraw/zinc/99/93/69/877999369.db2.gz MOPFFCRVRBJFHX-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000615672173 877999376 /nfs/dbraw/zinc/99/93/76/877999376.db2.gz MOPFFCRVRBJFHX-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC001183146575 912304520 /nfs/dbraw/zinc/30/45/20/912304520.db2.gz XCPYEIDAWKAAGU-UHFFFAOYSA-N 2 1 379.346 3.697 20 0 GHADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527789 878093476 /nfs/dbraw/zinc/09/34/76/878093476.db2.gz DPDYEMIEEZPOJC-QHCPKHFHSA-N 2 1 393.575 3.649 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527789 878093495 /nfs/dbraw/zinc/09/34/95/878093495.db2.gz DPDYEMIEEZPOJC-QHCPKHFHSA-N 2 1 393.575 3.649 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527789 878093514 /nfs/dbraw/zinc/09/35/14/878093514.db2.gz DPDYEMIEEZPOJC-QHCPKHFHSA-N 2 1 393.575 3.649 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527789 878093533 /nfs/dbraw/zinc/09/35/33/878093533.db2.gz DPDYEMIEEZPOJC-QHCPKHFHSA-N 2 1 393.575 3.649 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCc3ccc4ccccc4c3)C2)CC1 ZINC000451527789 878093562 /nfs/dbraw/zinc/09/35/62/878093562.db2.gz DPDYEMIEEZPOJC-QHCPKHFHSA-N 2 1 393.575 3.649 20 0 GHADMP C[NH+]1CCC(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000788487159 878096813 /nfs/dbraw/zinc/09/68/13/878096813.db2.gz DHEZKZSLRNWIKP-UHFFFAOYSA-N 2 1 381.520 3.516 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300531 878210976 /nfs/dbraw/zinc/21/09/76/878210976.db2.gz IYVRXSPQRPLVBJ-IBGZPJMESA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300531 878210985 /nfs/dbraw/zinc/21/09/85/878210985.db2.gz IYVRXSPQRPLVBJ-IBGZPJMESA-N 2 1 376.545 3.551 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245643373 878269219 /nfs/dbraw/zinc/26/92/19/878269219.db2.gz YMCMBAAWRXJZOU-AHRSYUTCSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245643373 878269236 /nfs/dbraw/zinc/26/92/36/878269236.db2.gz YMCMBAAWRXJZOU-AHRSYUTCSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245643373 878269253 /nfs/dbraw/zinc/26/92/53/878269253.db2.gz YMCMBAAWRXJZOU-AHRSYUTCSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245643373 878269261 /nfs/dbraw/zinc/26/92/61/878269261.db2.gz YMCMBAAWRXJZOU-AHRSYUTCSA-N 2 1 392.975 3.505 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000237938678 878328797 /nfs/dbraw/zinc/32/87/97/878328797.db2.gz JUDOMMSVPTVLHI-FQEVSTJZSA-N 2 1 375.516 3.670 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245674912 878342335 /nfs/dbraw/zinc/34/23/35/878342335.db2.gz HWJQEGRBPDFXLV-WBDAEOGXSA-N 2 1 377.532 3.510 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000455910801 878368221 /nfs/dbraw/zinc/36/82/21/878368221.db2.gz IQBGGVYAOKXOPP-HSZRJFAPSA-N 2 1 392.547 3.805 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC000852487921 878370828 /nfs/dbraw/zinc/37/08/28/878370828.db2.gz ONQACELDWJOBMT-NHCUHLMSSA-N 2 1 398.551 3.736 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451808396 878497647 /nfs/dbraw/zinc/49/76/47/878497647.db2.gz JSLUDWWPCHSRML-VXKWHMMOSA-N 2 1 388.596 3.652 20 0 GHADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCCC3)cc2)[C@@H]1CCC[NH3+] ZINC000852759476 878582534 /nfs/dbraw/zinc/58/25/34/878582534.db2.gz PUDMOYLPNYOIGW-DENIHFKCSA-N 2 1 386.584 3.845 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000245946756 878786649 /nfs/dbraw/zinc/78/66/49/878786649.db2.gz AFTWRUDAYQIXMS-AZUAARDMSA-N 2 1 380.598 3.602 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccccc2F)C2CCCC2)CC1 ZINC000538101160 878810572 /nfs/dbraw/zinc/81/05/72/878810572.db2.gz QSDKKDCPPYSBKU-QFIPXVFZSA-N 2 1 375.532 3.589 20 0 GHADMP CN(C(=O)CCNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccccc1 ZINC000853110972 878819140 /nfs/dbraw/zinc/81/91/40/878819140.db2.gz XTXAVJUEAUNOLU-UHFFFAOYSA-N 2 1 394.563 3.930 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc(F)ccc1F ZINC000853120234 878827045 /nfs/dbraw/zinc/82/70/45/878827045.db2.gz HYWHULMRCOQYNT-XMSQKQJNSA-N 2 1 386.486 3.890 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000177867292 878895109 /nfs/dbraw/zinc/89/51/09/878895109.db2.gz FJRVKBUKSQVVEN-JOCHJYFZSA-N 2 1 386.584 3.546 20 0 GHADMP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853239937 878922478 /nfs/dbraw/zinc/92/24/78/878922478.db2.gz KLSZKHYQLDUQBY-NHCUHLMSSA-N 2 1 385.552 3.752 20 0 GHADMP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853239935 878922720 /nfs/dbraw/zinc/92/27/20/878922720.db2.gz KLSZKHYQLDUQBY-LEWJYISDSA-N 2 1 385.552 3.752 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000285703407 912398521 /nfs/dbraw/zinc/39/85/21/912398521.db2.gz PFRJRZCNEZIGNA-GMKZXUHWSA-N 2 1 397.607 3.914 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2)CC1 ZINC000138827506 878933335 /nfs/dbraw/zinc/93/33/35/878933335.db2.gz NGILYMLTPGTAEY-DHIUTWEWSA-N 2 1 398.595 3.544 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(Br)ccc2F)CC1 ZINC000178005228 878943074 /nfs/dbraw/zinc/94/30/74/878943074.db2.gz HIXXWMVYFLEDSD-OAHLLOKOSA-N 2 1 386.353 3.657 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(Br)ccc2F)CC1 ZINC000178005216 878943592 /nfs/dbraw/zinc/94/35/92/878943592.db2.gz HIXXWMVYFLEDSD-HNNXBMFYSA-N 2 1 386.353 3.657 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(F)ccc43)c2)C1 ZINC000246097332 878971408 /nfs/dbraw/zinc/97/14/08/878971408.db2.gz XKCTXJKRUSZXBP-REWPJTCUSA-N 2 1 395.522 3.690 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000093769395 912425757 /nfs/dbraw/zinc/42/57/57/912425757.db2.gz IMAZQFIASWETQL-UHFFFAOYSA-N 2 1 378.948 3.558 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000093769395 912425760 /nfs/dbraw/zinc/42/57/60/912425760.db2.gz IMAZQFIASWETQL-UHFFFAOYSA-N 2 1 378.948 3.558 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000776688410 879223187 /nfs/dbraw/zinc/22/31/87/879223187.db2.gz CWRJJMGXGQJIRJ-OAQYLSRUSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246256437 879291960 /nfs/dbraw/zinc/29/19/60/879291960.db2.gz FXJCEKZPARIYHF-GMAHTHKFSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246256437 879291977 /nfs/dbraw/zinc/29/19/77/879291977.db2.gz FXJCEKZPARIYHF-GMAHTHKFSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246256437 879291992 /nfs/dbraw/zinc/29/19/92/879291992.db2.gz FXJCEKZPARIYHF-GMAHTHKFSA-N 2 1 398.595 3.685 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000246349809 879442805 /nfs/dbraw/zinc/44/28/05/879442805.db2.gz IXNVBWKZBWHOJT-KNQAVFIVSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000246349809 879442810 /nfs/dbraw/zinc/44/28/10/879442810.db2.gz IXNVBWKZBWHOJT-KNQAVFIVSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000246349809 879442816 /nfs/dbraw/zinc/44/28/16/879442816.db2.gz IXNVBWKZBWHOJT-KNQAVFIVSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000452449665 879459484 /nfs/dbraw/zinc/45/94/84/879459484.db2.gz CUXSSXXAPKNMLP-AJSBUHFISA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2ccc3ccccc3c2)C2CC2)CC1 ZINC000089117567 879547692 /nfs/dbraw/zinc/54/76/92/879547692.db2.gz KGJBSZBDMIYEOA-GOSISDBHSA-N 2 1 379.548 3.966 20 0 GHADMP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000854223782 879641805 /nfs/dbraw/zinc/64/18/05/879641805.db2.gz HLFIHDOSJFHCIG-IWMITWMQSA-N 2 1 383.467 3.579 20 0 GHADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000246547289 879669224 /nfs/dbraw/zinc/66/92/24/879669224.db2.gz YMCXOBZYMXHKDV-HBFSDRIKSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246547289 879669228 /nfs/dbraw/zinc/66/92/28/879669228.db2.gz YMCXOBZYMXHKDV-HBFSDRIKSA-N 2 1 392.613 3.647 20 0 GHADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246547289 879669231 /nfs/dbraw/zinc/66/92/31/879669231.db2.gz YMCXOBZYMXHKDV-HBFSDRIKSA-N 2 1 392.613 3.647 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000247064325 879906684 /nfs/dbraw/zinc/90/66/84/879906684.db2.gz OGFADKSCTXXSBS-RYFAJOAYSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182911169 880037538 /nfs/dbraw/zinc/03/75/38/880037538.db2.gz MMDSDPLKZBJRLW-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911169 880037548 /nfs/dbraw/zinc/03/75/48/880037548.db2.gz MMDSDPLKZBJRLW-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182911169 880037561 /nfs/dbraw/zinc/03/75/61/880037561.db2.gz MMDSDPLKZBJRLW-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C(F)(F)F)n1 ZINC000183155142 880063980 /nfs/dbraw/zinc/06/39/80/880063980.db2.gz NBPZRMOEGDTVAL-NZSAHSFTSA-N 2 1 392.469 3.829 20 0 GHADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000123206235 880136356 /nfs/dbraw/zinc/13/63/56/880136356.db2.gz HTCOBMLIYBLTLD-PKOBYXMFSA-N 2 1 383.540 3.615 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000123206235 880136367 /nfs/dbraw/zinc/13/63/67/880136367.db2.gz HTCOBMLIYBLTLD-PKOBYXMFSA-N 2 1 383.540 3.615 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000183898211 880175888 /nfs/dbraw/zinc/17/58/88/880175888.db2.gz BWUWHNRFJHYODD-QGZVFWFLSA-N 2 1 396.457 3.835 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000184752759 880374731 /nfs/dbraw/zinc/37/47/31/880374731.db2.gz WIHXYRFXBSKILE-PMACEKPBSA-N 2 1 379.548 3.988 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CN(Cc4ccccc4)C[C@@H]3C)CCCC2)CC1 ZINC000531720302 880376365 /nfs/dbraw/zinc/37/63/65/880376365.db2.gz KROCLACGNQGYLU-NZQKXSOJSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2sccc21 ZINC000453054457 880403164 /nfs/dbraw/zinc/40/31/64/880403164.db2.gz BZZRGCGRJSCGNN-OXJNMPFZSA-N 2 1 383.561 3.864 20 0 GHADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453096973 880463125 /nfs/dbraw/zinc/46/31/25/880463125.db2.gz VYPXQUKAKQXCNY-DNVJHFABSA-N 2 1 377.532 3.579 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453117058 880489304 /nfs/dbraw/zinc/48/93/04/880489304.db2.gz UNGKNAQGQJSBKQ-QUCCMNQESA-N 2 1 395.385 3.597 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453348717 880820047 /nfs/dbraw/zinc/82/00/47/880820047.db2.gz LGDIMJPDLGCCRZ-UXDRXVOSSA-N 2 1 376.566 3.679 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453348717 880820067 /nfs/dbraw/zinc/82/00/67/880820067.db2.gz LGDIMJPDLGCCRZ-UXDRXVOSSA-N 2 1 376.566 3.679 20 0 GHADMP CCC[NH+]1CCN(c2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2Cl)CC1 ZINC000776870210 880917899 /nfs/dbraw/zinc/91/78/99/880917899.db2.gz JOOXVPYJLXVIBV-RBUKOAKNSA-N 2 1 376.976 3.911 20 0 GHADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000187125925 881076243 /nfs/dbraw/zinc/07/62/43/881076243.db2.gz MVOGACDBFXEWLI-MRXNPFEDSA-N 2 1 386.989 3.735 20 0 GHADMP O=C(c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1)N1CCCCC1 ZINC000134937389 883122232 /nfs/dbraw/zinc/12/22/32/883122232.db2.gz HAOALKICNODXCQ-FYYLOGMGSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1)N1CCCCC1 ZINC000134937389 883122250 /nfs/dbraw/zinc/12/22/50/883122250.db2.gz HAOALKICNODXCQ-FYYLOGMGSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1)N1CCCCC1 ZINC000134937389 883122260 /nfs/dbraw/zinc/12/22/60/883122260.db2.gz HAOALKICNODXCQ-FYYLOGMGSA-N 2 1 381.564 3.761 20 0 GHADMP O=C(c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1)N1CCCCC1 ZINC000134937389 883122270 /nfs/dbraw/zinc/12/22/70/883122270.db2.gz HAOALKICNODXCQ-FYYLOGMGSA-N 2 1 381.564 3.761 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000195137385 883191247 /nfs/dbraw/zinc/19/12/47/883191247.db2.gz JSEBOSDUIUPBRZ-FPOVZHCZSA-N 2 1 377.532 3.986 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310146 912684578 /nfs/dbraw/zinc/68/45/78/912684578.db2.gz XBWXEXAIILXFBQ-CVEARBPZSA-N 2 1 385.533 3.642 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286310146 912684586 /nfs/dbraw/zinc/68/45/86/912684586.db2.gz XBWXEXAIILXFBQ-CVEARBPZSA-N 2 1 385.533 3.642 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000858654080 883259450 /nfs/dbraw/zinc/25/94/50/883259450.db2.gz ILSBHCIOLMBYAC-LJQANCHMSA-N 2 1 377.960 3.684 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000858654080 883259468 /nfs/dbraw/zinc/25/94/68/883259468.db2.gz ILSBHCIOLMBYAC-LJQANCHMSA-N 2 1 377.960 3.684 20 0 GHADMP Fc1ccc(Cl)cc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910433 883290399 /nfs/dbraw/zinc/29/03/99/883290399.db2.gz CUHACXTYEGBDNN-QGZVFWFLSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1ccc(Cl)cc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910433 883290414 /nfs/dbraw/zinc/29/04/14/883290414.db2.gz CUHACXTYEGBDNN-QGZVFWFLSA-N 2 1 398.869 3.718 20 0 GHADMP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000551265582 883574903 /nfs/dbraw/zinc/57/49/03/883574903.db2.gz WEKCNMKVMMDTED-ZEQRLZLVSA-N 2 1 394.559 3.893 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000194062303 883655540 /nfs/dbraw/zinc/65/55/40/883655540.db2.gz VZWQNKJHRPKOEU-UHFFFAOYSA-N 2 1 393.531 3.912 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556233020 884177929 /nfs/dbraw/zinc/17/79/29/884177929.db2.gz DWIDRWGIAKDCKQ-UHOSZYNNSA-N 2 1 395.473 3.748 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000556233020 884177930 /nfs/dbraw/zinc/17/79/30/884177930.db2.gz DWIDRWGIAKDCKQ-UHOSZYNNSA-N 2 1 395.473 3.748 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ncnn2-c2ccccc2)CC1 ZINC000556242376 884215904 /nfs/dbraw/zinc/21/59/04/884215904.db2.gz RYGGWHGPPLZKOQ-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP CC(C)Oc1ccc([NH+]2C=CC(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)C=C2)cc1 ZINC001170493436 884217012 /nfs/dbraw/zinc/21/70/12/884217012.db2.gz ORETXUBXXZCDAU-LMDPOFIKSA-N 2 1 381.520 3.845 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(S(C)(=O)=O)s2)CC1 ZINC000556245052 884217071 /nfs/dbraw/zinc/21/70/71/884217071.db2.gz DNVLNJMROIXWAF-UHFFFAOYSA-N 2 1 392.590 3.684 20 0 GHADMP C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000465459694 884235910 /nfs/dbraw/zinc/23/59/10/884235910.db2.gz PYURVKVZXZXRBJ-NZQKXSOJSA-N 2 1 394.563 3.595 20 0 GHADMP CC[C@@H]1CC([N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496566 884269962 /nfs/dbraw/zinc/26/99/62/884269962.db2.gz KDSWURNLSSAZRT-FCGDIQPGSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1CC([NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496566 884269980 /nfs/dbraw/zinc/26/99/80/884269980.db2.gz KDSWURNLSSAZRT-FCGDIQPGSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1CC([NH+]2C[C@H]3C[N@H+](CC)C[C@H]3C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496566 884269997 /nfs/dbraw/zinc/26/99/97/884269997.db2.gz KDSWURNLSSAZRT-FCGDIQPGSA-N 2 1 379.589 3.827 20 0 GHADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1(C)C ZINC000262811345 884812725 /nfs/dbraw/zinc/81/27/25/884812725.db2.gz VFUBNUQZKUMPGJ-GCJKJVERSA-N 2 1 384.524 3.526 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000130876241 885271987 /nfs/dbraw/zinc/27/19/87/885271987.db2.gz PRNZMHSCZBMRCD-WTIAFYNJSA-N 2 1 379.548 3.801 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000130876241 885271997 /nfs/dbraw/zinc/27/19/97/885271997.db2.gz PRNZMHSCZBMRCD-WTIAFYNJSA-N 2 1 379.548 3.801 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000045778970 885305541 /nfs/dbraw/zinc/30/55/41/885305541.db2.gz ZSNYKLUOEXUWBK-FQEVSTJZSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498721409 885482083 /nfs/dbraw/zinc/48/20/83/885482083.db2.gz LFJHWXFIJSTIED-IRLDBZIGSA-N 2 1 398.595 3.557 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000550622825 885552720 /nfs/dbraw/zinc/55/27/20/885552720.db2.gz YGZYSGFPBLBNJQ-NFBKMPQASA-N 2 1 395.522 3.855 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)C[C@@H]1c1ccccc1 ZINC000550622825 885552730 /nfs/dbraw/zinc/55/27/30/885552730.db2.gz YGZYSGFPBLBNJQ-NFBKMPQASA-N 2 1 395.522 3.855 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108548119 885740831 /nfs/dbraw/zinc/74/08/31/885740831.db2.gz LMOKXLCRNJNWDJ-FQEVSTJZSA-N 2 1 394.563 3.556 20 0 GHADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434256 885759677 /nfs/dbraw/zinc/75/96/77/885759677.db2.gz REPCATNYKHTWEN-RZUBCFFCSA-N 2 1 379.548 3.928 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498941495 886156623 /nfs/dbraw/zinc/15/66/23/886156623.db2.gz KCMDIRFGEZMIEK-REWPJTCUSA-N 2 1 379.504 3.744 20 0 GHADMP O=C1C[C@H](c2ccccc2)N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762499782 886293208 /nfs/dbraw/zinc/29/32/08/886293208.db2.gz KVCVQFKURSLBBY-HSZRJFAPSA-N 2 1 389.543 3.906 20 0 GHADMP O=C1C[C@H](c2ccccc2)N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762499782 886293230 /nfs/dbraw/zinc/29/32/30/886293230.db2.gz KVCVQFKURSLBBY-HSZRJFAPSA-N 2 1 389.543 3.906 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000114022249 886305416 /nfs/dbraw/zinc/30/54/16/886305416.db2.gz PRXZJCCENJJRGE-OALUTQOASA-N 2 1 378.605 3.545 20 0 GHADMP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)N2CCOCC2)o1 ZINC000118954628 886361480 /nfs/dbraw/zinc/36/14/80/886361480.db2.gz UFCVDVLJXDVZNA-PGRDOPGGSA-N 2 1 394.519 3.806 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCCCC1 ZINC000131619501 886369899 /nfs/dbraw/zinc/36/98/99/886369899.db2.gz IBPLXSRDBPRIOL-SXLOBPIMSA-N 2 1 377.598 3.758 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(C)c1OC ZINC000556891239 886517726 /nfs/dbraw/zinc/51/77/26/886517726.db2.gz ADFYHZLVWHIASL-NQIIRXRSSA-N 2 1 398.547 3.820 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000332828454 886552606 /nfs/dbraw/zinc/55/26/06/886552606.db2.gz NNZNCWGMIGWDKF-ICSRJNTNSA-N 2 1 386.584 3.730 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000332828454 886552623 /nfs/dbraw/zinc/55/26/23/886552623.db2.gz NNZNCWGMIGWDKF-ICSRJNTNSA-N 2 1 386.584 3.730 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(C(=O)OC)c2Cl)CC1 ZINC001168251769 886740647 /nfs/dbraw/zinc/74/06/47/886740647.db2.gz CSMRTDAMMLVWPZ-UHFFFAOYSA-N 2 1 396.959 3.697 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000236836849 886889287 /nfs/dbraw/zinc/88/92/87/886889287.db2.gz MSZPZPSAVRQCJA-OAQYLSRUSA-N 2 1 389.547 3.815 20 0 GHADMP O[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)c(F)c1 ZINC000762927256 887116296 /nfs/dbraw/zinc/11/62/96/887116296.db2.gz OECSSVFLOZPOQR-QFIPXVFZSA-N 2 1 386.486 3.986 20 0 GHADMP FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655755672 887195512 /nfs/dbraw/zinc/19/55/12/887195512.db2.gz HVNIMMVYIIAFPF-MSOLQXFVSA-N 2 1 397.485 3.517 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000131798130 887575032 /nfs/dbraw/zinc/57/50/32/887575032.db2.gz GKGIHNSBRVPRSJ-QGZVFWFLSA-N 2 1 395.507 3.608 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000809610988 887582181 /nfs/dbraw/zinc/58/21/81/887582181.db2.gz MPMMRCNFLHMLTD-GTPINHCMSA-N 2 1 379.570 3.605 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000809610988 887582191 /nfs/dbraw/zinc/58/21/91/887582191.db2.gz MPMMRCNFLHMLTD-GTPINHCMSA-N 2 1 379.570 3.605 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000809594896 887603562 /nfs/dbraw/zinc/60/35/62/887603562.db2.gz CJSKZHCKOZDBGI-PZJWPPBQSA-N 2 1 384.593 3.691 20 0 GHADMP C[NH+](C)Cc1cnc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000809594896 887603565 /nfs/dbraw/zinc/60/35/65/887603565.db2.gz CJSKZHCKOZDBGI-PZJWPPBQSA-N 2 1 384.593 3.691 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ncc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000809629352 887629895 /nfs/dbraw/zinc/62/98/95/887629895.db2.gz NFQAHCDQGGAPTJ-FUHWJXTLSA-N 2 1 387.549 3.579 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(SC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000809734289 887716469 /nfs/dbraw/zinc/71/64/69/887716469.db2.gz DBJGPUWNCFQFER-UHFFFAOYSA-N 2 1 375.504 3.756 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000809738658 887771706 /nfs/dbraw/zinc/77/17/06/887771706.db2.gz DILRASWKYZKJFI-UHFFFAOYSA-N 2 1 391.309 3.871 20 0 GHADMP OC1(C[NH+]2CCCC3(CCC[N@H+](CC4(O)CCCCC4)C3)C2)CCCCC1 ZINC000810054423 888103060 /nfs/dbraw/zinc/10/30/60/888103060.db2.gz RPSVCYIGERKNKJ-UHFFFAOYSA-N 2 1 378.601 3.555 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC001132137635 888283205 /nfs/dbraw/zinc/28/32/05/888283205.db2.gz MRFRKDHGJMJCSK-YFNKSVMNSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001132137635 888283218 /nfs/dbraw/zinc/28/32/18/888283218.db2.gz MRFRKDHGJMJCSK-YFNKSVMNSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001132137635 888283232 /nfs/dbraw/zinc/28/32/32/888283232.db2.gz MRFRKDHGJMJCSK-YFNKSVMNSA-N 2 1 397.607 3.914 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(Cl)cncc3Cl)CC2)oc1C ZINC000865458521 888364380 /nfs/dbraw/zinc/36/43/80/888364380.db2.gz MTLLOQGNVXOXJG-UHFFFAOYSA-N 2 1 383.323 3.995 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(Cl)c(F)c3)CC2)cs1 ZINC000865458990 888366019 /nfs/dbraw/zinc/36/60/19/888366019.db2.gz SFEFJJHOKMCJPO-UHFFFAOYSA-N 2 1 382.936 3.895 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)cc21 ZINC000865525799 888410608 /nfs/dbraw/zinc/41/06/08/888410608.db2.gz GMUBQHKOJRXKDB-DZFGPLHGSA-N 2 1 377.488 3.924 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc21 ZINC000865525799 888410618 /nfs/dbraw/zinc/41/06/18/888410618.db2.gz GMUBQHKOJRXKDB-DZFGPLHGSA-N 2 1 377.488 3.924 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000810460643 888508989 /nfs/dbraw/zinc/50/89/89/888508989.db2.gz WMEZOCWQLVAJBU-REWPJTCUSA-N 2 1 389.559 3.570 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810460643 888508999 /nfs/dbraw/zinc/50/89/99/888508999.db2.gz WMEZOCWQLVAJBU-REWPJTCUSA-N 2 1 389.559 3.570 20 0 GHADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810460643 888509012 /nfs/dbraw/zinc/50/90/12/888509012.db2.gz WMEZOCWQLVAJBU-REWPJTCUSA-N 2 1 389.559 3.570 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000459382944 888749140 /nfs/dbraw/zinc/74/91/40/888749140.db2.gz TYLWRZZZQBXMMJ-HXUWFJFHSA-N 2 1 379.548 3.666 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717921 888793843 /nfs/dbraw/zinc/79/38/43/888793843.db2.gz GDKLKOLJPPAQSU-XXBNENTESA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717921 888793848 /nfs/dbraw/zinc/79/38/48/888793848.db2.gz GDKLKOLJPPAQSU-XXBNENTESA-N 2 1 389.559 3.616 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@](F)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000810717921 888793858 /nfs/dbraw/zinc/79/38/58/888793858.db2.gz GDKLKOLJPPAQSU-XXBNENTESA-N 2 1 389.559 3.616 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccc1I ZINC000537968118 888813460 /nfs/dbraw/zinc/81/34/60/888813460.db2.gz RCIPJWRKHSNJPG-QWHCGFSZSA-N 2 1 383.277 3.783 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cn(-c2ccccc2)nn1 ZINC000154130183 889306514 /nfs/dbraw/zinc/30/65/14/889306514.db2.gz BBKAURGHLPCIHZ-LJQANCHMSA-N 2 1 391.519 3.593 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@H]1c1cccs1 ZINC000868185123 889341809 /nfs/dbraw/zinc/34/18/09/889341809.db2.gz MTWIMUXEWMFYKE-QEEHTWDDSA-N 2 1 384.549 3.767 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245735061 889562432 /nfs/dbraw/zinc/56/24/32/889562432.db2.gz QSCYNZHRTUJXHF-XSDIEEQYSA-N 2 1 380.511 3.585 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000124729531 889739364 /nfs/dbraw/zinc/73/93/64/889739364.db2.gz FXJCEKZPARIYHF-FYYLOGMGSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124729531 889739371 /nfs/dbraw/zinc/73/93/71/889739371.db2.gz FXJCEKZPARIYHF-FYYLOGMGSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000124729531 889739372 /nfs/dbraw/zinc/73/93/72/889739372.db2.gz FXJCEKZPARIYHF-FYYLOGMGSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000125001482 889843535 /nfs/dbraw/zinc/84/35/35/889843535.db2.gz QHLCSRGDCZCVTQ-UXHICEINSA-N 2 1 395.547 3.629 20 0 GHADMP CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000533291181 890203284 /nfs/dbraw/zinc/20/32/84/890203284.db2.gz KLEUFTRNPDLAKR-IBGZPJMESA-N 2 1 375.582 3.684 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000533321442 890271027 /nfs/dbraw/zinc/27/10/27/890271027.db2.gz LOJMWCNEBDXGAR-FXAWDEMLSA-N 2 1 394.991 3.610 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000870272604 890294273 /nfs/dbraw/zinc/29/42/73/890294273.db2.gz OIYNRKIDOYMYIV-QFIPXVFZSA-N 2 1 383.580 3.976 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126625216 890620817 /nfs/dbraw/zinc/62/08/17/890620817.db2.gz ZHWJHFTVVTXKGZ-TXTKFYIRSA-N 2 1 399.554 3.513 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126625216 890620825 /nfs/dbraw/zinc/62/08/25/890620825.db2.gz ZHWJHFTVVTXKGZ-TXTKFYIRSA-N 2 1 399.554 3.513 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126625216 890620832 /nfs/dbraw/zinc/62/08/32/890620832.db2.gz ZHWJHFTVVTXKGZ-TXTKFYIRSA-N 2 1 399.554 3.513 20 0 GHADMP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)n1 ZINC000126794943 890726880 /nfs/dbraw/zinc/72/68/80/890726880.db2.gz VNQAHDRGMKNYKW-QGZVFWFLSA-N 2 1 390.622 3.984 20 0 GHADMP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)n1 ZINC000126794943 890726889 /nfs/dbraw/zinc/72/68/89/890726889.db2.gz VNQAHDRGMKNYKW-QGZVFWFLSA-N 2 1 390.622 3.984 20 0 GHADMP C[C@H](c1cccc2ccccc21)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000533514589 890735592 /nfs/dbraw/zinc/73/55/92/890735592.db2.gz AVJBGTWJHYNKPE-LJQANCHMSA-N 2 1 379.548 3.777 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000871359798 890790892 /nfs/dbraw/zinc/79/08/92/890790892.db2.gz VBYCTNIAAXIJGE-HGCBZUSOSA-N 2 1 386.584 3.872 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000127335951 891010027 /nfs/dbraw/zinc/01/00/27/891010027.db2.gz LAEWWKZVRCJNJX-UHFFFAOYSA-N 2 1 398.532 3.514 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000127335951 891010043 /nfs/dbraw/zinc/01/00/43/891010043.db2.gz LAEWWKZVRCJNJX-UHFFFAOYSA-N 2 1 398.532 3.514 20 0 GHADMP C[C@H](ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000871785232 891010877 /nfs/dbraw/zinc/01/08/77/891010877.db2.gz GKTSWFKOJUATJL-DITUJHHDSA-N 2 1 389.887 3.822 20 0 GHADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000871785232 891010890 /nfs/dbraw/zinc/01/08/90/891010890.db2.gz GKTSWFKOJUATJL-DITUJHHDSA-N 2 1 389.887 3.822 20 0 GHADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000871785232 891010904 /nfs/dbraw/zinc/01/09/04/891010904.db2.gz GKTSWFKOJUATJL-DITUJHHDSA-N 2 1 389.887 3.822 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1 ZINC000066960747 891124008 /nfs/dbraw/zinc/12/40/08/891124008.db2.gz APCZRBABVJCTPV-OALUTQOASA-N 2 1 389.584 3.705 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872032028 891125637 /nfs/dbraw/zinc/12/56/37/891125637.db2.gz PGKLQOVMJUJGTK-LJHODMEESA-N 2 1 392.341 3.958 20 0 GHADMP CC(C)c1ccc(-c2noc(CC3([NH3+])CC[NH+](Cc4ccccc4)CC3)n2)cn1 ZINC000872180118 891203052 /nfs/dbraw/zinc/20/30/52/891203052.db2.gz LJCSOKCPBYASBC-UHFFFAOYSA-N 2 1 391.519 3.791 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000248144492 891412919 /nfs/dbraw/zinc/41/29/19/891412919.db2.gz PZYBKCQOLSMTOF-YOEHRIQHSA-N 2 1 375.504 3.747 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000248144492 891412923 /nfs/dbraw/zinc/41/29/23/891412923.db2.gz PZYBKCQOLSMTOF-YOEHRIQHSA-N 2 1 375.504 3.747 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCSC5)C4)[C@H]3C2)cc1 ZINC000248398721 891430512 /nfs/dbraw/zinc/43/05/12/891430512.db2.gz JGNFUCXMGFATOQ-SPHOGXRMSA-N 2 1 386.605 3.931 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000873227551 891532829 /nfs/dbraw/zinc/53/28/29/891532829.db2.gz JDXAZJZTLURVMO-BXUZGUMPSA-N 2 1 392.347 3.665 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000873227551 891532836 /nfs/dbraw/zinc/53/28/36/891532836.db2.gz JDXAZJZTLURVMO-BXUZGUMPSA-N 2 1 392.347 3.665 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497507273 891758563 /nfs/dbraw/zinc/75/85/63/891758563.db2.gz VBLFWFHIMKPQEF-NSHGMRRFSA-N 2 1 381.923 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497507273 891758571 /nfs/dbraw/zinc/75/85/71/891758571.db2.gz VBLFWFHIMKPQEF-NSHGMRRFSA-N 2 1 381.923 3.509 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000497602339 891986081 /nfs/dbraw/zinc/98/60/81/891986081.db2.gz CMPTWKMBIFHLTB-JOCHJYFZSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)Cn2cc(Br)cn2)CC1 ZINC000162147660 892060770 /nfs/dbraw/zinc/06/07/70/892060770.db2.gz CCKREHPSFOQACA-MRXNPFEDSA-N 2 1 391.357 3.597 20 0 GHADMP C[C@H](C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC001170722659 892214257 /nfs/dbraw/zinc/21/42/57/892214257.db2.gz KWNVXOCYBHYWIJ-RTWAWAEBSA-N 2 1 382.548 3.505 20 0 GHADMP C[C@H](C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC001170722659 892214278 /nfs/dbraw/zinc/21/42/78/892214278.db2.gz KWNVXOCYBHYWIJ-RTWAWAEBSA-N 2 1 382.548 3.505 20 0 GHADMP CN(C[C@@H](O)COc1cccc2[nH]ccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000128889488 892604674 /nfs/dbraw/zinc/60/46/74/892604674.db2.gz PTOONHKGVGTRQK-OAQYLSRUSA-N 2 1 393.531 3.504 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000508695722 892658527 /nfs/dbraw/zinc/65/85/27/892658527.db2.gz GBIRIYOVQZOLIT-FCEUIQTBSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508712611 892829600 /nfs/dbraw/zinc/82/96/00/892829600.db2.gz DEYJIBQJRHNVMG-YLJYHZDGSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713658 892831206 /nfs/dbraw/zinc/83/12/06/892831206.db2.gz UCRJACPCVQYKLA-WKHFQEMYSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508713658 892831216 /nfs/dbraw/zinc/83/12/16/892831216.db2.gz UCRJACPCVQYKLA-WKHFQEMYSA-N 2 1 377.532 3.681 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713658 892831231 /nfs/dbraw/zinc/83/12/31/892831231.db2.gz UCRJACPCVQYKLA-WKHFQEMYSA-N 2 1 377.532 3.681 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000645154449 913713548 /nfs/dbraw/zinc/71/35/48/913713548.db2.gz VWQKGWLHYJLVGX-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000645154449 913713555 /nfs/dbraw/zinc/71/35/55/913713555.db2.gz VWQKGWLHYJLVGX-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000645154449 913713559 /nfs/dbraw/zinc/71/35/59/913713559.db2.gz VWQKGWLHYJLVGX-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721006 892973805 /nfs/dbraw/zinc/97/38/05/892973805.db2.gz OGQCKBYFYAERCM-PXDATVDWSA-N 2 1 393.575 3.519 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000162793371 893204951 /nfs/dbraw/zinc/20/49/51/893204951.db2.gz SPEUJRCXKCCFMF-NMMYMHLASA-N 2 1 396.531 3.635 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000162793371 893204970 /nfs/dbraw/zinc/20/49/70/893204970.db2.gz SPEUJRCXKCCFMF-NMMYMHLASA-N 2 1 396.531 3.635 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000162793371 893204985 /nfs/dbraw/zinc/20/49/85/893204985.db2.gz SPEUJRCXKCCFMF-NMMYMHLASA-N 2 1 396.531 3.635 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3[nH]nc4ccccc43)C3(C2)CCOCC3)cc1 ZINC000645199028 913748741 /nfs/dbraw/zinc/74/87/41/913748741.db2.gz YVZSSMKYGMQXNY-HXUWFJFHSA-N 2 1 390.531 3.581 20 0 GHADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000876719726 893301516 /nfs/dbraw/zinc/30/15/16/893301516.db2.gz TUKSCGVMMNHXRA-LAUBAEHRSA-N 2 1 395.551 3.600 20 0 GHADMP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000876889196 893374239 /nfs/dbraw/zinc/37/42/39/893374239.db2.gz LDVZFXWZZOUWPN-BWPKMQGJSA-N 2 1 396.362 3.630 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC[C@H]21 ZINC000876939939 893397051 /nfs/dbraw/zinc/39/70/51/893397051.db2.gz NDHBVVKAXNAMEA-LTFPLMDUSA-N 2 1 377.573 3.771 20 0 GHADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc2c1OCO2 ZINC000536682944 893553164 /nfs/dbraw/zinc/55/31/64/893553164.db2.gz BWSDUGCUUPLMTH-UHFFFAOYSA-N 2 1 382.504 3.768 20 0 GHADMP c1csc(C[C@@H]2CC[NH+](CCCC[N@H+]3CC[C@@H](Cc4nccs4)C3)C2)n1 ZINC000934334903 893555089 /nfs/dbraw/zinc/55/50/89/893555089.db2.gz YSNXNTVCVISSFG-ROUUACIJSA-N 2 1 390.622 3.809 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnn(Cc4ccccc4)c3)CC2)C[C@H](C)O1 ZINC000536709763 893617403 /nfs/dbraw/zinc/61/74/03/893617403.db2.gz NIWKORMASRFIGX-OYRHEFFESA-N 2 1 396.579 3.643 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000563499178 893830040 /nfs/dbraw/zinc/83/00/40/893830040.db2.gz PAUFEDAPAMSERT-UYAOXDASSA-N 2 1 392.547 3.755 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221167 893849379 /nfs/dbraw/zinc/84/93/79/893849379.db2.gz KEOQLMFMPZVWHP-DBXWQHBBSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221167 893849397 /nfs/dbraw/zinc/84/93/97/893849397.db2.gz KEOQLMFMPZVWHP-DBXWQHBBSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000536829072 893860984 /nfs/dbraw/zinc/86/09/84/893860984.db2.gz VPZYWEWBUDDXJC-IFXJQAMLSA-N 2 1 377.326 3.911 20 0 GHADMP C[C@H](CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000686224012 893866530 /nfs/dbraw/zinc/86/65/30/893866530.db2.gz SOOYVDVLWLSPNX-MSOLQXFVSA-N 2 1 375.557 3.742 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000536843216 893919942 /nfs/dbraw/zinc/91/99/42/893919942.db2.gz DNKYMHBSUNLNJG-SBHAEUEKSA-N 2 1 377.548 3.521 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000498291480 893934572 /nfs/dbraw/zinc/93/45/72/893934572.db2.gz HBCFWVYRSOGRPS-FCHUYYIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000498291480 893934589 /nfs/dbraw/zinc/93/45/89/893934589.db2.gz HBCFWVYRSOGRPS-FCHUYYIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000498291480 893934605 /nfs/dbraw/zinc/93/46/05/893934605.db2.gz HBCFWVYRSOGRPS-FCHUYYIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000498291481 893935244 /nfs/dbraw/zinc/93/52/44/893935244.db2.gz HBCFWVYRSOGRPS-FGZHOGPDSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000498291481 893935251 /nfs/dbraw/zinc/93/52/51/893935251.db2.gz HBCFWVYRSOGRPS-FGZHOGPDSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000498291481 893935256 /nfs/dbraw/zinc/93/52/56/893935256.db2.gz HBCFWVYRSOGRPS-FGZHOGPDSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3csc4ccccc34)CC2)CC1 ZINC000563637103 894000674 /nfs/dbraw/zinc/00/06/74/894000674.db2.gz OKUAXAWXCYBMQV-UHFFFAOYSA-N 2 1 399.604 3.756 20 0 GHADMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1Cl ZINC000878173941 894073799 /nfs/dbraw/zinc/07/37/99/894073799.db2.gz FMPAFTYCKGVKHO-UHFFFAOYSA-N 3 1 378.992 3.672 20 0 GHADMP CC[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000537093258 894331322 /nfs/dbraw/zinc/33/13/22/894331322.db2.gz FDIGHMGFZQZNBM-YYDVJCTNSA-N 2 1 384.568 3.670 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573563 894397535 /nfs/dbraw/zinc/39/75/35/894397535.db2.gz LIZBFRYGWGBUDR-RBUKOAKNSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573563 894397550 /nfs/dbraw/zinc/39/75/50/894397550.db2.gz LIZBFRYGWGBUDR-RBUKOAKNSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCC4(CCOCC4)O3)C2)s1 ZINC000878573563 894397560 /nfs/dbraw/zinc/39/75/60/894397560.db2.gz LIZBFRYGWGBUDR-RBUKOAKNSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000564189646 894702214 /nfs/dbraw/zinc/70/22/14/894702214.db2.gz ZWOREEJYGWTARO-IIBYNOLFSA-N 2 1 395.551 3.661 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816546260 894915217 /nfs/dbraw/zinc/91/52/17/894915217.db2.gz DLSYCPRVQVTDPK-PXNSSMCTSA-N 2 1 379.589 3.876 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000460262708 894978407 /nfs/dbraw/zinc/97/84/07/894978407.db2.gz GYSAFHGBGLITMA-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000460262708 894978418 /nfs/dbraw/zinc/97/84/18/894978418.db2.gz GYSAFHGBGLITMA-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000460262708 894978432 /nfs/dbraw/zinc/97/84/32/894978432.db2.gz GYSAFHGBGLITMA-BHGTWAMESA-N 2 1 386.584 3.602 20 0 GHADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000564586295 895100125 /nfs/dbraw/zinc/10/01/25/895100125.db2.gz QTOMWEBBOJTZER-SFHVURJKSA-N 2 1 389.559 3.932 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000645502730 913941506 /nfs/dbraw/zinc/94/15/06/913941506.db2.gz CQLHEXMOHHTFAW-IBGZPJMESA-N 2 1 394.563 3.717 20 0 GHADMP Cc1sc2nc(C[N@@H+](CC(C)C)CC3CC[NH+](C)CC3)[nH]c(=O)c2c1C ZINC000879703857 895241977 /nfs/dbraw/zinc/24/19/77/895241977.db2.gz DFCNSKKLXBUJQN-UHFFFAOYSA-N 2 1 376.570 3.814 20 0 GHADMP C[C@@]1(C(F)(F)F)CC[NH+](CC2(C[N@H+]3CC[C@@](C)(C(F)(F)F)C3)COC2)C1 ZINC000880002705 895439180 /nfs/dbraw/zinc/43/91/80/895439180.db2.gz OUDRSQUXOCVBDL-ZIAGYGMSSA-N 2 1 388.396 3.552 20 0 GHADMP C[C@@]1(C(F)(F)F)CC[NH+](CC2(C[N@@H+]3CC[C@@](C)(C(F)(F)F)C3)COC2)C1 ZINC000880002705 895439185 /nfs/dbraw/zinc/43/91/85/895439185.db2.gz OUDRSQUXOCVBDL-ZIAGYGMSSA-N 2 1 388.396 3.552 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000565188387 895450384 /nfs/dbraw/zinc/45/03/84/895450384.db2.gz BHPVFYLCHQGHJD-UHFFFAOYSA-N 2 1 395.950 3.634 20 0 GHADMP COCCOc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000565277507 895498382 /nfs/dbraw/zinc/49/83/82/895498382.db2.gz WSJRGPFIARQNCC-GOTSBHOMSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000565277507 895498385 /nfs/dbraw/zinc/49/83/85/895498385.db2.gz WSJRGPFIARQNCC-GOTSBHOMSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000565277507 895498392 /nfs/dbraw/zinc/49/83/92/895498392.db2.gz WSJRGPFIARQNCC-GOTSBHOMSA-N 2 1 380.532 3.666 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cn3ccc(=S)c4ccccc43)CC2)CC1 ZINC000817372919 895549369 /nfs/dbraw/zinc/54/93/69/895549369.db2.gz MWUSEGGJCHKGNO-UHFFFAOYSA-N 2 1 384.593 3.820 20 0 GHADMP CC[N@H+](CCCc1c[nH+]cn1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000565430364 895619760 /nfs/dbraw/zinc/61/97/60/895619760.db2.gz MDJNZFZKPVPFJH-UHFFFAOYSA-N 2 1 384.572 3.565 20 0 GHADMP CC[N@@H+](CCCc1c[nH+]cn1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000565430364 895619767 /nfs/dbraw/zinc/61/97/67/895619767.db2.gz MDJNZFZKPVPFJH-UHFFFAOYSA-N 2 1 384.572 3.565 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CC12CCOCC2 ZINC000566244919 896194931 /nfs/dbraw/zinc/19/49/31/896194931.db2.gz CFOFIOGRDWLBJF-INIZCTEOSA-N 2 1 386.458 3.552 20 0 GHADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)CC1 ZINC000566244617 896196112 /nfs/dbraw/zinc/19/61/12/896196112.db2.gz FMZOLVGXUYUIAY-QGZVFWFLSA-N 2 1 395.551 3.528 20 0 GHADMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001136199962 896507867 /nfs/dbraw/zinc/50/78/67/896507867.db2.gz NMJDRUCNOMUDNW-ZEQRLZLVSA-N 2 1 391.559 3.604 20 0 GHADMP CN(CC[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1)C1CC[NH+](C)CC1 ZINC000566706170 896509454 /nfs/dbraw/zinc/50/94/54/896509454.db2.gz SYOJZNPSQZOWKS-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000819282843 896527563 /nfs/dbraw/zinc/52/75/63/896527563.db2.gz CDLPLJCUJVPBIA-LADGPHEKSA-N 2 1 382.548 3.545 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819284766 896528957 /nfs/dbraw/zinc/52/89/57/896528957.db2.gz UMZQYFCZIMPPEL-DEOSSOPVSA-N 2 1 394.563 3.583 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000819274872 896560617 /nfs/dbraw/zinc/56/06/17/896560617.db2.gz NHKVMTRYLVEHQT-FXAWDEMLSA-N 2 1 389.337 3.594 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275667 896560759 /nfs/dbraw/zinc/56/07/59/896560759.db2.gz ZWIJBODQUHFYCP-YLJYHZDGSA-N 2 1 394.437 3.730 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819275159 896560973 /nfs/dbraw/zinc/56/09/73/896560973.db2.gz RJRWRRPYYKWFGM-YLJYHZDGSA-N 2 1 378.438 3.851 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000819330090 896572568 /nfs/dbraw/zinc/57/25/68/896572568.db2.gz YQJZSAHMZIGMSI-UCBGAZFYSA-N 2 1 394.559 3.910 20 0 GHADMP Cc1cccc(OC[C@H](O)CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC000819445759 896681133 /nfs/dbraw/zinc/68/11/33/896681133.db2.gz VEOGQMILWGEWPW-HSZRJFAPSA-N 2 1 397.563 3.625 20 0 GHADMP COCc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000567056962 896838563 /nfs/dbraw/zinc/83/85/63/896838563.db2.gz CULCVQJHQOIRMA-UHFFFAOYSA-N 2 1 397.563 3.950 20 0 GHADMP COCc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000567056962 896838575 /nfs/dbraw/zinc/83/85/75/896838575.db2.gz CULCVQJHQOIRMA-UHFFFAOYSA-N 2 1 397.563 3.950 20 0 GHADMP CCOC(=O)COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000567066246 896843662 /nfs/dbraw/zinc/84/36/62/896843662.db2.gz FJXLHQIKUULRNF-JTHBVZDNSA-N 2 1 396.531 3.596 20 0 GHADMP CCOC(=O)COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000567066246 896843673 /nfs/dbraw/zinc/84/36/73/896843673.db2.gz FJXLHQIKUULRNF-JTHBVZDNSA-N 2 1 396.531 3.596 20 0 GHADMP Cc1ccc(-n2cc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)c(C(C)(C)C)n2)cc1 ZINC000567110370 896881564 /nfs/dbraw/zinc/88/15/64/896881564.db2.gz BFIZORUPDVSBAP-FQEVSTJZSA-N 2 1 396.579 3.666 20 0 GHADMP C[C@@H]1COCCN1CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939836 897019741 /nfs/dbraw/zinc/01/97/41/897019741.db2.gz XZAPVMHIVDVRBP-RCZVLFRGSA-N 2 1 399.623 3.864 20 0 GHADMP C(C[C@H]1CCOC1)C[NH+]1CCCC2(CCC[N@H+](CCC[C@H]3CCOC3)C2)C1 ZINC000645917887 914123351 /nfs/dbraw/zinc/12/33/51/914123351.db2.gz DADHQGJWZUDVHW-OJSMNCEXSA-N 2 1 378.601 3.798 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3c4ccccc4CC[C@@H]3C)CC2)CC1 ZINC000568202221 897671075 /nfs/dbraw/zinc/67/10/75/897671075.db2.gz HAWRBOOQTRJBKI-FDDCHVKYSA-N 2 1 383.580 3.623 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC001136541683 898213731 /nfs/dbraw/zinc/21/37/31/898213731.db2.gz KGBUHHOVDZWGJW-CVDCTZTESA-N 2 1 381.564 3.818 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC001136586814 898373947 /nfs/dbraw/zinc/37/39/47/898373947.db2.gz YVQIRRWARZBONM-UHFFFAOYSA-N 2 1 383.580 3.622 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@H]2CCc4cccc(F)c4C2)CC3)cn1 ZINC001170987479 898398624 /nfs/dbraw/zinc/39/86/24/898398624.db2.gz RYCBNUGZLKZASF-FQEVSTJZSA-N 2 1 382.527 3.547 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@H]2CCc4cccc(F)c4C2)CC3)cn1 ZINC001170987479 898398635 /nfs/dbraw/zinc/39/86/35/898398635.db2.gz RYCBNUGZLKZASF-FQEVSTJZSA-N 2 1 382.527 3.547 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000569348874 898565061 /nfs/dbraw/zinc/56/50/61/898565061.db2.gz LYXCFLWDJXJFLW-AVRDEDQJSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000569348874 898565081 /nfs/dbraw/zinc/56/50/81/898565081.db2.gz LYXCFLWDJXJFLW-AVRDEDQJSA-N 2 1 383.511 3.588 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCCN2Cc2cccc(Cl)c2)C1 ZINC001136635576 898663849 /nfs/dbraw/zinc/66/38/49/898663849.db2.gz SKDZJHZUHOKQDP-PZJWPPBQSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC001136635576 898663855 /nfs/dbraw/zinc/66/38/55/898663855.db2.gz SKDZJHZUHOKQDP-PZJWPPBQSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)C1 ZINC001136635576 898663857 /nfs/dbraw/zinc/66/38/57/898663857.db2.gz SKDZJHZUHOKQDP-PZJWPPBQSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1 ZINC001136635576 898663861 /nfs/dbraw/zinc/66/38/61/898663861.db2.gz SKDZJHZUHOKQDP-PZJWPPBQSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC001136635576 898663869 /nfs/dbraw/zinc/66/38/69/898663869.db2.gz SKDZJHZUHOKQDP-PZJWPPBQSA-N 2 1 391.987 3.933 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111881861 898838321 /nfs/dbraw/zinc/83/83/21/898838321.db2.gz WJHZJKHGAFNPAE-BRTIRZTQSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c2ccccc2)cc1 ZINC000570037766 899083998 /nfs/dbraw/zinc/08/39/98/899083998.db2.gz XOKZHBCSOJCDIQ-ZKGSSEMHSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc2)cc1 ZINC000570037766 899084017 /nfs/dbraw/zinc/08/40/17/899084017.db2.gz XOKZHBCSOJCDIQ-ZKGSSEMHSA-N 2 1 394.559 3.678 20 0 GHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823850438 899278897 /nfs/dbraw/zinc/27/88/97/899278897.db2.gz CRAIUXRPHBNOOT-RHSMWYFYSA-N 2 1 387.351 3.994 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)CC1 ZINC000824073287 899380907 /nfs/dbraw/zinc/38/09/07/899380907.db2.gz HRICOOVYYPWBCF-NHCUHLMSSA-N 2 1 385.552 3.979 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000571327354 899830707 /nfs/dbraw/zinc/83/07/07/899830707.db2.gz VUWGCNAUGXLYKD-UONOGXRCSA-N 2 1 389.284 3.872 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000646297055 914386852 /nfs/dbraw/zinc/38/68/52/914386852.db2.gz GCANFTDXJQRWTN-UPKQVVFYSA-N 2 1 393.522 3.631 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000646297055 914386858 /nfs/dbraw/zinc/38/68/58/914386858.db2.gz GCANFTDXJQRWTN-UPKQVVFYSA-N 2 1 393.522 3.631 20 0 GHADMP C[C@@H]1CCCC[C@H]1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824936685 899896438 /nfs/dbraw/zinc/89/64/38/899896438.db2.gz LFWHDEGWLVOAHC-MJGOQNOKSA-N 2 1 382.556 3.637 20 0 GHADMP COc1ncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001137003261 900023255 /nfs/dbraw/zinc/02/32/55/900023255.db2.gz KEFKUZMJHCJVNL-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCCC[NH+]3C3CCCC3)cc2)CC1 ZINC000825487055 900188887 /nfs/dbraw/zinc/18/88/87/900188887.db2.gz JYLYIPCFVCDRQX-QFIPXVFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)cc2)CC1 ZINC000825487055 900188895 /nfs/dbraw/zinc/18/88/95/900188895.db2.gz JYLYIPCFVCDRQX-QFIPXVFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[NH+]1CCCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000825487055 900188900 /nfs/dbraw/zinc/18/89/00/900188900.db2.gz JYLYIPCFVCDRQX-QFIPXVFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000573236981 900430053 /nfs/dbraw/zinc/43/00/53/900430053.db2.gz STERRIOJPFABIX-GHTZIAJQSA-N 2 1 388.577 3.647 20 0 GHADMP Cc1cc([C@@H]([NH3+])CC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)cc(Cl)n1 ZINC000844176614 900565985 /nfs/dbraw/zinc/56/59/85/900565985.db2.gz VPXBNJRDSFGARH-IBGZPJMESA-N 2 1 388.943 3.590 20 0 GHADMP CC[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000573650151 900588696 /nfs/dbraw/zinc/58/86/96/900588696.db2.gz AUBZOSFAVBQSMU-NHCUHLMSSA-N 2 1 381.520 3.921 20 0 GHADMP C[N@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001186354998 914473192 /nfs/dbraw/zinc/47/31/92/914473192.db2.gz STJGRCQSKAZSMT-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001186354998 914473205 /nfs/dbraw/zinc/47/32/05/914473205.db2.gz STJGRCQSKAZSMT-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+]1CCC[C@H](C(=O)N(Cc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001186354998 914473214 /nfs/dbraw/zinc/47/32/14/914473214.db2.gz STJGRCQSKAZSMT-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)O2)[C@H]1C ZINC000886335540 900940213 /nfs/dbraw/zinc/94/02/13/900940213.db2.gz DMNKSEQJJAVMFN-SFKIGLBJSA-N 2 1 384.564 3.746 20 0 GHADMP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)O2)[C@H]1C ZINC000886335540 900940223 /nfs/dbraw/zinc/94/02/23/900940223.db2.gz DMNKSEQJJAVMFN-SFKIGLBJSA-N 2 1 384.564 3.746 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)n1cccn1 ZINC000886642072 901202198 /nfs/dbraw/zinc/20/21/98/901202198.db2.gz ZJXBCWZSFDQAKP-ZSYWTGECSA-N 2 1 378.442 3.629 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000575883000 901425611 /nfs/dbraw/zinc/42/56/11/901425611.db2.gz FSQRALIEKFJFTC-OSFFKXSWSA-N 2 1 395.591 3.810 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000093770693 901564899 /nfs/dbraw/zinc/56/48/99/901564899.db2.gz KJKMXVWBJLWVBG-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000093770693 901564910 /nfs/dbraw/zinc/56/49/10/901564910.db2.gz KJKMXVWBJLWVBG-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000093770693 901564915 /nfs/dbraw/zinc/56/49/15/901564915.db2.gz KJKMXVWBJLWVBG-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000093770693 901564923 /nfs/dbraw/zinc/56/49/23/901564923.db2.gz KJKMXVWBJLWVBG-IBGZPJMESA-N 2 1 375.520 3.708 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000576179502 901763014 /nfs/dbraw/zinc/76/30/14/901763014.db2.gz MXXURZMZQNRHNU-UKWMHNODSA-N 2 1 396.600 3.955 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nc(-c4c(F)cccc4F)cs3)CC2)C1 ZINC000576376442 901982332 /nfs/dbraw/zinc/98/23/32/901982332.db2.gz JOKORCCMMGLNMK-KSSFIOAISA-N 2 1 393.503 3.807 20 0 GHADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000576503642 902062596 /nfs/dbraw/zinc/06/25/96/902062596.db2.gz JHPPMERARKSXEF-UHFFFAOYSA-N 2 1 397.611 3.505 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001144433596 902153102 /nfs/dbraw/zinc/15/31/02/902153102.db2.gz GFXJIHJXONTZRN-FQEVSTJZSA-N 2 1 377.960 3.685 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001144433596 902153105 /nfs/dbraw/zinc/15/31/05/902153105.db2.gz GFXJIHJXONTZRN-FQEVSTJZSA-N 2 1 377.960 3.685 20 0 GHADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000576755941 902239547 /nfs/dbraw/zinc/23/95/47/902239547.db2.gz CFXVININVJWAAN-VJBWXMMDSA-N 2 1 377.532 3.508 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000126899835 902388184 /nfs/dbraw/zinc/38/81/84/902388184.db2.gz CRWWFUKPORCUOM-DLBZAZTESA-N 2 1 392.590 3.714 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000126899835 902388190 /nfs/dbraw/zinc/38/81/90/902388190.db2.gz CRWWFUKPORCUOM-DLBZAZTESA-N 2 1 392.590 3.714 20 0 GHADMP CC(C)(C)OC(=O)NCCC1CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000845920401 902501858 /nfs/dbraw/zinc/50/18/58/902501858.db2.gz GBZJFKHOQOWZAH-UHFFFAOYSA-N 2 1 387.568 3.718 20 0 GHADMP CC(C)(C)OC(=O)NCCC1CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000845920401 902501867 /nfs/dbraw/zinc/50/18/67/902501867.db2.gz GBZJFKHOQOWZAH-UHFFFAOYSA-N 2 1 387.568 3.718 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290382380 914655757 /nfs/dbraw/zinc/65/57/57/914655757.db2.gz BEFGYOKONWDGRR-SFHVURJKSA-N 2 1 387.549 3.580 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290382380 914655765 /nfs/dbraw/zinc/65/57/65/914655765.db2.gz BEFGYOKONWDGRR-SFHVURJKSA-N 2 1 387.549 3.580 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846222345 902796998 /nfs/dbraw/zinc/79/69/98/902796998.db2.gz HKFDHDRZXSBDAW-QRKMNUTDSA-N 2 1 387.568 3.529 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)c2cc1C(C)C ZINC000846226332 902801150 /nfs/dbraw/zinc/80/11/50/902801150.db2.gz WYJCFVKFRCVTOG-LRXVAGHRSA-N 2 1 398.547 3.943 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000846311152 902875652 /nfs/dbraw/zinc/87/56/52/902875652.db2.gz RZZWUUBOMFLIGS-IPMKNSEASA-N 2 1 396.535 3.539 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000600842926 902993471 /nfs/dbraw/zinc/99/34/71/902993471.db2.gz NFABURLCWBQWAX-FUHWJXTLSA-N 2 1 380.602 3.551 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000600842929 902993978 /nfs/dbraw/zinc/99/39/78/902993978.db2.gz NFABURLCWBQWAX-SJLPKXTDSA-N 2 1 380.602 3.551 20 0 GHADMP COCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000577670098 903028028 /nfs/dbraw/zinc/02/80/28/903028028.db2.gz ZPBDYVSLSIVIOJ-DHIUTWEWSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000577670098 903028040 /nfs/dbraw/zinc/02/80/40/903028040.db2.gz ZPBDYVSLSIVIOJ-DHIUTWEWSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000577670098 903028054 /nfs/dbraw/zinc/02/80/54/903028054.db2.gz ZPBDYVSLSIVIOJ-DHIUTWEWSA-N 2 1 380.532 3.666 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000577850139 903268826 /nfs/dbraw/zinc/26/88/26/903268826.db2.gz XNHMHWRLEFUSOE-WZONZLPQSA-N 2 1 390.531 3.776 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000577850139 903268833 /nfs/dbraw/zinc/26/88/33/903268833.db2.gz XNHMHWRLEFUSOE-WZONZLPQSA-N 2 1 390.531 3.776 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000132746048 903302729 /nfs/dbraw/zinc/30/27/29/903302729.db2.gz REGZLMMPGBUOBT-HUUCEWRRSA-N 2 1 397.357 3.609 20 0 GHADMP Cc1cnn(CCCCC[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000264750258 903356994 /nfs/dbraw/zinc/35/69/94/903356994.db2.gz WHJMEMCTVZIPON-DEOSSOPVSA-N 2 1 398.595 3.739 20 0 GHADMP CO[C@@H](C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)c1ccc(Cl)cc1 ZINC000283034351 903940084 /nfs/dbraw/zinc/94/00/84/903940084.db2.gz HWKGBZIPQZMVFL-NRFANRHFSA-N 2 1 379.976 3.518 20 0 GHADMP Cc1ccc(NCCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[nH+]c1 ZINC001148667326 904163830 /nfs/dbraw/zinc/16/38/30/904163830.db2.gz XEMLFHYUHINPQX-NRFANRHFSA-N 2 1 392.547 3.611 20 0 GHADMP Cc1ccc(NCCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH+]c1 ZINC001148667326 904163839 /nfs/dbraw/zinc/16/38/39/904163839.db2.gz XEMLFHYUHINPQX-NRFANRHFSA-N 2 1 392.547 3.611 20 0 GHADMP [NH3+]C1CCN(c2nc(NCC3c4ccccc4CCc4ccccc43)cc[nH+]2)CC1 ZINC001171338665 904213737 /nfs/dbraw/zinc/21/37/37/904213737.db2.gz PFTWLYANDHJZAK-UHFFFAOYSA-N 2 1 399.542 3.747 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C3CCC(F)(F)CC3)CC2)cc1 ZINC000579268126 904468385 /nfs/dbraw/zinc/46/83/85/904468385.db2.gz JWCOIQMZDUYWNP-UHFFFAOYSA-N 2 1 393.522 3.539 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C3CCC(F)(F)CC3)CC2)cc1 ZINC000579268126 904468392 /nfs/dbraw/zinc/46/83/92/904468392.db2.gz JWCOIQMZDUYWNP-UHFFFAOYSA-N 2 1 393.522 3.539 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C3CCC(F)(F)CC3)CC2)cc1 ZINC000579268126 904468397 /nfs/dbraw/zinc/46/83/97/904468397.db2.gz JWCOIQMZDUYWNP-UHFFFAOYSA-N 2 1 393.522 3.539 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171631475 904853925 /nfs/dbraw/zinc/85/39/25/904853925.db2.gz JAFJZHMLZHCUBA-JOCHJYFZSA-N 2 1 379.589 3.971 20 0 GHADMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171645322 904891458 /nfs/dbraw/zinc/89/14/58/904891458.db2.gz JTJNECZWJKAWOO-VMWRSERWSA-N 2 1 397.357 3.736 20 0 GHADMP C[C@H]1C[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171744115 904971497 /nfs/dbraw/zinc/97/14/97/904971497.db2.gz DNBAMJKBGPKEMK-BHMMALPRSA-N 2 1 375.560 3.980 20 0 GHADMP C[C@H]1C[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171744115 904971510 /nfs/dbraw/zinc/97/15/10/904971510.db2.gz DNBAMJKBGPKEMK-BHMMALPRSA-N 2 1 375.560 3.980 20 0 GHADMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccc(O)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171734166 905015486 /nfs/dbraw/zinc/01/54/86/905015486.db2.gz MEQVRCCZEZSWNO-AUSIDOKSSA-N 2 1 379.548 3.609 20 0 GHADMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccc(O)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171734166 905015505 /nfs/dbraw/zinc/01/55/05/905015505.db2.gz MEQVRCCZEZSWNO-AUSIDOKSSA-N 2 1 379.548 3.609 20 0 GHADMP C[C@H]1C[C@@H](N2CCC([NH3+])(Cc3ccccc3F)CC2)C[N@H+]1Cc1ccccc1 ZINC001171739628 905025976 /nfs/dbraw/zinc/02/59/76/905025976.db2.gz QRBCOTVCICNBKG-SIKLNZKXSA-N 2 1 381.539 3.825 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171739995 905027300 /nfs/dbraw/zinc/02/73/00/905027300.db2.gz ROAUMDTVEAZQIH-PZJWPPBQSA-N 2 1 379.548 3.608 20 0 GHADMP COc1ccc(CC2([NH3+])CCN([C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171740103 905027598 /nfs/dbraw/zinc/02/75/98/905027598.db2.gz SGFIIEYVPVHPEH-OFNKIYASSA-N 2 1 393.575 3.694 20 0 GHADMP COc1cccc(CC2([NH3+])CCN([C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171740632 905029039 /nfs/dbraw/zinc/02/90/39/905029039.db2.gz TUUNQEWBLJUHFJ-NZQKXSOJSA-N 2 1 393.575 3.694 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](C3CCN(c4ccc(Br)cc4)CC3)C2)CC1 ZINC001171996982 905210162 /nfs/dbraw/zinc/21/01/62/905210162.db2.gz RUVWAUGZNHJXBC-UHFFFAOYSA-N 2 1 392.385 3.836 20 0 GHADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[N@H+]1Cc1ccccc1 ZINC001171977376 905222646 /nfs/dbraw/zinc/22/26/46/905222646.db2.gz QYLKCYAEZGTXEG-BHDDXSALSA-N 2 1 391.559 3.711 20 0 GHADMP CC1(C)C[C@H]([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[NH+]1Cc1ccccc1 ZINC001171977376 905222651 /nfs/dbraw/zinc/22/26/51/905222651.db2.gz QYLKCYAEZGTXEG-BHDDXSALSA-N 2 1 391.559 3.711 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC[NH+]1Cc1ccccc1 ZINC001171977376 905222657 /nfs/dbraw/zinc/22/26/57/905222657.db2.gz QYLKCYAEZGTXEG-BHDDXSALSA-N 2 1 391.559 3.711 20 0 GHADMP COc1ccc(C[C@@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171977371 905222725 /nfs/dbraw/zinc/22/27/25/905222725.db2.gz AYGQCCMKZZMFMS-VXKWHMMOSA-N 2 1 382.548 3.631 20 0 GHADMP CC(=O)N1CCC2(C1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171981100 905231668 /nfs/dbraw/zinc/23/16/68/905231668.db2.gz KILUPYGVXAUFIF-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP Cc1cc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001171985032 905241123 /nfs/dbraw/zinc/24/11/23/905241123.db2.gz QQCFYCURTJMJSM-QFIPXVFZSA-N 2 1 393.579 3.659 20 0 GHADMP Cc1cc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)nc(C)[nH+]1 ZINC001171985032 905241143 /nfs/dbraw/zinc/24/11/43/905241143.db2.gz QQCFYCURTJMJSM-QFIPXVFZSA-N 2 1 393.579 3.659 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987018 905248890 /nfs/dbraw/zinc/24/88/90/905248890.db2.gz OVCGTUVAOLWFJT-FGZHOGPDSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987018 905248900 /nfs/dbraw/zinc/24/89/00/905248900.db2.gz OVCGTUVAOLWFJT-FGZHOGPDSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987018 905248918 /nfs/dbraw/zinc/24/89/18/905248918.db2.gz OVCGTUVAOLWFJT-FGZHOGPDSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987018 905248934 /nfs/dbraw/zinc/24/89/34/905248934.db2.gz OVCGTUVAOLWFJT-FGZHOGPDSA-N 2 1 383.580 3.810 20 0 GHADMP O=C(NCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC001172073430 905277092 /nfs/dbraw/zinc/27/70/92/905277092.db2.gz QPRMQPLHXBJLEK-NUNAXRQHSA-N 2 1 395.522 3.731 20 0 GHADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OCc1cccnc1 ZINC000174599019 905304876 /nfs/dbraw/zinc/30/48/76/905304876.db2.gz AEVSBFVOMUMELT-SEJPIABJSA-N 2 1 381.520 3.774 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CCC1 ZINC001172089027 905306326 /nfs/dbraw/zinc/30/63/26/905306326.db2.gz PHMBQUNNKSQBTP-LWSSLDFYSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CCC1 ZINC001172089027 905306341 /nfs/dbraw/zinc/30/63/41/905306341.db2.gz PHMBQUNNKSQBTP-LWSSLDFYSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C1CCC1 ZINC001172089027 905306355 /nfs/dbraw/zinc/30/63/55/905306355.db2.gz PHMBQUNNKSQBTP-LWSSLDFYSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C1CCC1 ZINC001172089027 905306373 /nfs/dbraw/zinc/30/63/73/905306373.db2.gz PHMBQUNNKSQBTP-LWSSLDFYSA-N 2 1 395.591 3.953 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098388 905319042 /nfs/dbraw/zinc/31/90/42/905319042.db2.gz CVUMIADXZUJUQE-BOQPXBONSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001172098388 905319061 /nfs/dbraw/zinc/31/90/61/905319061.db2.gz CVUMIADXZUJUQE-BOQPXBONSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100492 905322151 /nfs/dbraw/zinc/32/21/51/905322151.db2.gz RKLLDTYDBHTEEQ-UJMXGEILSA-N 2 1 379.589 3.875 20 0 GHADMP O=C(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)NCc1ccc(F)cc1 ZINC001172064741 905326832 /nfs/dbraw/zinc/32/68/32/905326832.db2.gz FPVJIXMKPFZJPJ-NUNAXRQHSA-N 2 1 395.522 3.617 20 0 GHADMP O=C(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccc(F)cc1 ZINC001172064741 905326847 /nfs/dbraw/zinc/32/68/47/905326847.db2.gz FPVJIXMKPFZJPJ-NUNAXRQHSA-N 2 1 395.522 3.617 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC[C@@H]3NC(=O)OC(C)(C)C)CC1)C2 ZINC001172130051 905344397 /nfs/dbraw/zinc/34/43/97/905344397.db2.gz GEWFYIZYGZVAPW-MANSERQUSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cc(F)c(F)c(F)c3)CC1)C2 ZINC001172107784 905357074 /nfs/dbraw/zinc/35/70/74/905357074.db2.gz CEVFPGJGSXJDMV-NNZMDNLPSA-N 2 1 381.486 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1CCN(Cc3cc(F)c(F)c(F)c3)CC1)C2 ZINC001172107784 905357087 /nfs/dbraw/zinc/35/70/87/905357087.db2.gz CEVFPGJGSXJDMV-NNZMDNLPSA-N 2 1 381.486 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001172110948 905359538 /nfs/dbraw/zinc/35/95/38/905359538.db2.gz MKUFNQKKMJIDNA-BWTSREIZSA-N 2 1 381.486 3.971 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3Cc4c(cccc4F)C3=O)CC1)C2 ZINC001172114055 905363044 /nfs/dbraw/zinc/36/30/44/905363044.db2.gz LRFQJWIJUTZGGA-YCEIQTCASA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](N3Cc4c(cccc4F)C3=O)CC1)C2 ZINC001172114055 905363060 /nfs/dbraw/zinc/36/30/60/905363060.db2.gz LRFQJWIJUTZGGA-YCEIQTCASA-N 2 1 385.527 3.698 20 0 GHADMP COCCN(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115744 905366927 /nfs/dbraw/zinc/36/69/27/905366927.db2.gz ZUYXDLQMLXUAAH-BURNTYAHSA-N 2 1 379.976 3.564 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121859 905383825 /nfs/dbraw/zinc/38/38/25/905383825.db2.gz UKUQXHCJGIZUTA-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121859 905383835 /nfs/dbraw/zinc/38/38/35/905383835.db2.gz UKUQXHCJGIZUTA-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001172121859 905383856 /nfs/dbraw/zinc/38/38/56/905383856.db2.gz UKUQXHCJGIZUTA-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001172209449 905408086 /nfs/dbraw/zinc/40/80/86/905408086.db2.gz KKSRBDIAUKDDFW-YLZJTPGZSA-N 2 1 378.944 3.625 20 0 GHADMP COCCC[NH+]1CCC([NH2+]C2(Cc3ccccn3)CCC(F)(F)CC2)CC1 ZINC001172250651 905447934 /nfs/dbraw/zinc/44/79/34/905447934.db2.gz UODAKFRLVIOLEA-UHFFFAOYSA-N 2 1 381.511 3.663 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001172255763 905450273 /nfs/dbraw/zinc/45/02/73/905450273.db2.gz NCIQOSCKJGTMCD-KRWDZBQOSA-N 2 1 381.358 3.739 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CC[C@H](c3ccc(Br)cc3)C2)CC1 ZINC001172255763 905450287 /nfs/dbraw/zinc/45/02/87/905450287.db2.gz NCIQOSCKJGTMCD-KRWDZBQOSA-N 2 1 381.358 3.739 20 0 GHADMP COCCC[NH+]1CCC(N2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)CC1 ZINC001172255169 905450915 /nfs/dbraw/zinc/45/09/15/905450915.db2.gz IVZYPPNBEINPSX-HJOGWXRNSA-N 2 1 385.596 3.598 20 0 GHADMP CC(C)OCC[C@@H](C)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172433324 905542678 /nfs/dbraw/zinc/54/26/78/905542678.db2.gz HNRSOOOJWKARMI-GOSISDBHSA-N 2 1 397.604 3.644 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H](C)CCOC(C)C)CC2 ZINC001172445005 905562059 /nfs/dbraw/zinc/56/20/59/905562059.db2.gz AYIJOCINGUOBQT-RBBKRZOGSA-N 2 1 389.584 3.588 20 0 GHADMP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520742 905581062 /nfs/dbraw/zinc/58/10/62/905581062.db2.gz YTRZPQLBYPCSBG-HJOGWXRNSA-N 2 1 391.559 3.778 20 0 GHADMP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172520742 905581073 /nfs/dbraw/zinc/58/10/73/905581073.db2.gz YTRZPQLBYPCSBG-HJOGWXRNSA-N 2 1 391.559 3.778 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172679847 905760657 /nfs/dbraw/zinc/76/06/57/905760657.db2.gz PBKHDKOTTCVDFD-VABKMULXSA-N 2 1 383.580 3.940 20 0 GHADMP CC(C)C[N@H+](C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172996496 906070056 /nfs/dbraw/zinc/07/00/56/906070056.db2.gz CGPHEFSOHDPLSH-MXVIHJGJSA-N 2 1 375.532 3.658 20 0 GHADMP O=C(c1ccc(F)cc1)N1CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173001535 906076702 /nfs/dbraw/zinc/07/67/02/906076702.db2.gz LYZMAIPJZVJCJQ-OAQYLSRUSA-N 2 1 387.543 3.771 20 0 GHADMP [NH3+]C1(c2ccc(C(F)(F)F)cc2)CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173124140 906209551 /nfs/dbraw/zinc/20/95/51/906209551.db2.gz DWVFSTODFNNRTP-OAHLLOKOSA-N 2 1 381.467 3.969 20 0 GHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1C3c4ccccc4C(c4ccccc43)[C@@H]1[NH3+])CO2 ZINC001173164774 906222659 /nfs/dbraw/zinc/22/26/59/906222659.db2.gz PYUWAKORDLGKEP-FFXFUVGVSA-N 2 1 398.506 3.575 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@H]1F ZINC001206200137 906468264 /nfs/dbraw/zinc/46/82/64/906468264.db2.gz QLWCKVLWPWBQTA-SJORKVTESA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@H]1F ZINC001206200137 906468274 /nfs/dbraw/zinc/46/82/74/906468274.db2.gz QLWCKVLWPWBQTA-SJORKVTESA-N 2 1 383.389 3.908 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179424926 906498746 /nfs/dbraw/zinc/49/87/46/906498746.db2.gz GWHHZIAQTAZLGG-INIZCTEOSA-N 2 1 385.577 3.829 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+](C)C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001173622508 906571243 /nfs/dbraw/zinc/57/12/43/906571243.db2.gz KGPPIDUWBAPXSM-SFBGMRDWSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+](C)C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001173622508 906571250 /nfs/dbraw/zinc/57/12/50/906571250.db2.gz KGPPIDUWBAPXSM-SFBGMRDWSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+](C)C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001173622508 906571256 /nfs/dbraw/zinc/57/12/56/906571256.db2.gz KGPPIDUWBAPXSM-SFBGMRDWSA-N 2 1 384.564 3.952 20 0 GHADMP CC(=O)Nc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000180130759 906695616 /nfs/dbraw/zinc/69/56/16/906695616.db2.gz QTSLONQOHMHEJX-CWAQXLGLSA-N 2 1 377.532 3.973 20 0 GHADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000180737775 906831295 /nfs/dbraw/zinc/83/12/95/906831295.db2.gz FOFULMUZQCFYBS-LJQANCHMSA-N 2 1 387.568 3.591 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000629602895 906896932 /nfs/dbraw/zinc/89/69/32/906896932.db2.gz XGBJNWCRONKMQM-YADHBBJMSA-N 2 1 383.536 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000629602895 906896937 /nfs/dbraw/zinc/89/69/37/906896937.db2.gz XGBJNWCRONKMQM-YADHBBJMSA-N 2 1 383.536 3.826 20 0 GHADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000629664952 906941117 /nfs/dbraw/zinc/94/11/17/906941117.db2.gz LYWVIGWEMJJART-UHFFFAOYSA-N 2 1 396.318 3.653 20 0 GHADMP CCN(C)c1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cn1 ZINC000191438715 907001534 /nfs/dbraw/zinc/00/15/34/907001534.db2.gz PSBUSPRQTNXIKG-UHFFFAOYSA-N 2 1 381.568 3.928 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC001174704084 907166414 /nfs/dbraw/zinc/16/64/14/907166414.db2.gz CLUFTWOGVCOHJA-JOCHJYFZSA-N 2 1 383.580 3.588 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183128129 907332877 /nfs/dbraw/zinc/33/28/77/907332877.db2.gz CLSUCGLIDVPAIT-ACIOBRDBSA-N 2 1 383.580 3.524 20 0 GHADMP Cc1c(-c2cc(C[N@@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)on2)cnn1C ZINC000184709262 907645238 /nfs/dbraw/zinc/64/52/38/907645238.db2.gz XZQQZDSIRHZUTA-UHFFFAOYSA-N 2 1 394.523 3.517 20 0 GHADMP Fc1cc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000631654801 907791908 /nfs/dbraw/zinc/79/19/08/907791908.db2.gz IHHAASZWARTQAU-AHRSYUTCSA-N 2 1 382.907 3.542 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185697697 907816458 /nfs/dbraw/zinc/81/64/58/907816458.db2.gz QJFCZFQBLWEDPX-JYJNAYRXSA-N 2 1 393.959 3.918 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185697697 907816471 /nfs/dbraw/zinc/81/64/71/907816471.db2.gz QJFCZFQBLWEDPX-JYJNAYRXSA-N 2 1 393.959 3.918 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000366220083 921387428 /nfs/dbraw/zinc/38/74/28/921387428.db2.gz COEGUVYXEQCOPF-NMVJMZGASA-N 2 1 392.591 3.794 20 0 GHADMP CN(C)c1cccc(Cl)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001177104589 908409738 /nfs/dbraw/zinc/40/97/38/908409738.db2.gz XVFYDEVNVCBKOH-LJQANCHMSA-N 2 1 393.000 3.546 20 0 GHADMP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC001177133370 908419367 /nfs/dbraw/zinc/41/93/67/908419367.db2.gz SXHVNQWDUQXPMO-IBGZPJMESA-N 2 1 396.531 3.903 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC001177266139 908507467 /nfs/dbraw/zinc/50/74/67/908507467.db2.gz BDCVVPMMYAOOAG-FQEVSTJZSA-N 2 1 381.564 3.554 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cc1)C(C)C ZINC000634090428 908598022 /nfs/dbraw/zinc/59/80/22/908598022.db2.gz XTKYCXVYBULPIA-UHFFFAOYSA-N 2 1 383.540 3.632 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2)cc1C(F)(F)F ZINC001177616621 908671102 /nfs/dbraw/zinc/67/11/02/908671102.db2.gz YFFQUZAHULPTTB-UHFFFAOYSA-N 2 1 393.453 3.880 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2)cc1C(F)(F)F ZINC001177616621 908671109 /nfs/dbraw/zinc/67/11/09/908671109.db2.gz YFFQUZAHULPTTB-UHFFFAOYSA-N 2 1 393.453 3.880 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccco3)CC2)CC1 ZINC001177618101 908673218 /nfs/dbraw/zinc/67/32/18/908673218.db2.gz ICKPKZQNJJBOQD-QFIPXVFZSA-N 2 1 387.568 3.605 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccco3)CC2)CC1 ZINC001177618101 908673224 /nfs/dbraw/zinc/67/32/24/908673224.db2.gz ICKPKZQNJJBOQD-QFIPXVFZSA-N 2 1 387.568 3.605 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)c1cccc(C(F)(F)F)c1 ZINC001178710195 909202185 /nfs/dbraw/zinc/20/21/85/909202185.db2.gz XCFYYLPKAHTMCX-IRXDYDNUSA-N 2 1 385.474 3.545 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[N@@H+](C)CC1(C)C)c1cccc(C(F)(F)F)c1 ZINC001178710195 909202202 /nfs/dbraw/zinc/20/22/02/909202202.db2.gz XCFYYLPKAHTMCX-IRXDYDNUSA-N 2 1 385.474 3.545 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2OCC[NH+](CC)CC)C1 ZINC000266963864 909352065 /nfs/dbraw/zinc/35/20/65/909352065.db2.gz LFRYMBMGWMUZKO-IBGZPJMESA-N 2 1 390.572 3.603 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)cc1 ZINC001179531855 909565995 /nfs/dbraw/zinc/56/59/95/909565995.db2.gz PUMGSUHHOAKETD-RTBURBONSA-N 2 1 388.449 3.922 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(NC(=O)OC(C)(C)C)cn2)CC1 ZINC001180125133 909972729 /nfs/dbraw/zinc/97/27/29/909972729.db2.gz SGMHOKHSVRQYCD-UHFFFAOYSA-N 2 1 391.560 3.768 20 0 GHADMP Clc1ccc(C[NH+]2CCC(NCC3([NH+]4CCCC4)CCOCC3)CC2)cc1 ZINC000268864684 910048983 /nfs/dbraw/zinc/04/89/83/910048983.db2.gz IPKWFYQUGWNZEY-UHFFFAOYSA-N 2 1 391.987 3.539 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382638 910139044 /nfs/dbraw/zinc/13/90/44/910139044.db2.gz XWUVHQYARXJERU-POAQFYNOSA-N 2 1 381.486 3.828 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638382638 910139060 /nfs/dbraw/zinc/13/90/60/910139060.db2.gz XWUVHQYARXJERU-POAQFYNOSA-N 2 1 381.486 3.828 20 0 GHADMP [NH3+][C@H](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)Cc1ccccc1 ZINC000638881082 910262540 /nfs/dbraw/zinc/26/25/40/910262540.db2.gz NISMSVHYHKMBEF-NHCUHLMSSA-N 2 1 394.563 3.570 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639304574 910380152 /nfs/dbraw/zinc/38/01/52/910380152.db2.gz WZIWVPRRTNWAIH-VWNXMTODSA-N 2 1 377.532 3.780 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639304574 910380159 /nfs/dbraw/zinc/38/01/59/910380159.db2.gz WZIWVPRRTNWAIH-VWNXMTODSA-N 2 1 377.532 3.780 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639304571 910381654 /nfs/dbraw/zinc/38/16/54/910381654.db2.gz WZIWVPRRTNWAIH-ISKFKSNPSA-N 2 1 377.532 3.780 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639304571 910381671 /nfs/dbraw/zinc/38/16/71/910381671.db2.gz WZIWVPRRTNWAIH-ISKFKSNPSA-N 2 1 377.532 3.780 20 0 GHADMP O=C(C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CC[NH+]2CCC1CC2 ZINC001180817342 910386424 /nfs/dbraw/zinc/38/64/24/910386424.db2.gz QIVRUSJVOUMVOJ-UHFFFAOYSA-N 2 1 396.362 3.512 20 0 GHADMP c1n[nH]cc1[C@@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778210 910657959 /nfs/dbraw/zinc/65/79/59/910657959.db2.gz QUHHVMFSMHJBPJ-VXKWHMMOSA-N 2 1 376.508 3.807 20 0 GHADMP CCC1([NH+](C)C)CCN(CCCCC[NH+]2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000640017267 910782203 /nfs/dbraw/zinc/78/22/03/910782203.db2.gz JUSWXVMUAMUQMM-UHFFFAOYSA-N 3 1 380.665 3.769 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)cc1 ZINC001181485912 910817074 /nfs/dbraw/zinc/81/70/74/910817074.db2.gz KZCYAGAAHQLARP-GOSISDBHSA-N 2 1 397.510 3.825 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000271430329 910901960 /nfs/dbraw/zinc/90/19/60/910901960.db2.gz DQBDKBDKACAIOI-YKSBVNFPSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000271430329 910901979 /nfs/dbraw/zinc/90/19/79/910901979.db2.gz DQBDKBDKACAIOI-YKSBVNFPSA-N 2 1 391.559 3.809 20 0 GHADMP C[NH+]1CCC(C)(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)CC1 ZINC001181988281 911111649 /nfs/dbraw/zinc/11/16/49/911111649.db2.gz YCWREQIEFDPVMI-HXUWFJFHSA-N 2 1 377.532 3.934 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182248287 911340881 /nfs/dbraw/zinc/34/08/81/911340881.db2.gz ZVAHVUBNJXTEBR-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC001182248287 911340902 /nfs/dbraw/zinc/34/09/02/911340902.db2.gz ZVAHVUBNJXTEBR-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC001182248287 911340922 /nfs/dbraw/zinc/34/09/22/911340922.db2.gz ZVAHVUBNJXTEBR-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC001182248287 911340941 /nfs/dbraw/zinc/34/09/41/911340941.db2.gz ZVAHVUBNJXTEBR-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000641820313 911528559 /nfs/dbraw/zinc/52/85/59/911528559.db2.gz KGRNAMNRTWCACK-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)cc1 ZINC001182389775 911601494 /nfs/dbraw/zinc/60/14/94/911601494.db2.gz DASFAQMLWIDBBP-ICSRJNTNSA-N 2 1 378.520 3.921 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)cn1 ZINC000283982012 911710432 /nfs/dbraw/zinc/71/04/32/911710432.db2.gz GZORGARBTHGWCA-LPHOPBHVSA-N 2 1 399.539 3.701 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248402790 912056958 /nfs/dbraw/zinc/05/69/58/912056958.db2.gz NTMTVHDBEDZWLA-GNLZIIPMSA-N 2 1 380.532 3.619 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816509 912062624 /nfs/dbraw/zinc/06/26/24/912062624.db2.gz UBOVCBFVQAYLLC-BLKABHOGSA-N 2 1 397.588 3.940 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816509 912062635 /nfs/dbraw/zinc/06/26/35/912062635.db2.gz UBOVCBFVQAYLLC-BLKABHOGSA-N 2 1 397.588 3.940 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H]1c1ccccc1 ZINC001182816509 912062652 /nfs/dbraw/zinc/06/26/52/912062652.db2.gz UBOVCBFVQAYLLC-BLKABHOGSA-N 2 1 397.588 3.940 20 0 GHADMP C[C@H]1[C@@H](CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C[NH+]1C(c1ccccc1)c1ccccc1 ZINC001186949496 914913143 /nfs/dbraw/zinc/91/31/43/914913143.db2.gz UAYKXZOAOVXBBB-JTAQYXEDSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@H]1[C@@H](CC(=O)NC[C@@H]2CC[NH+](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949496 914913155 /nfs/dbraw/zinc/91/31/55/914913155.db2.gz UAYKXZOAOVXBBB-JTAQYXEDSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@H]1[C@@H](CC(=O)NC[C@@H]2CC[NH+](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949496 914913163 /nfs/dbraw/zinc/91/31/63/914913163.db2.gz UAYKXZOAOVXBBB-JTAQYXEDSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1csc(-c2ccccc2F)n1 ZINC000291248165 915060262 /nfs/dbraw/zinc/06/02/62/915060262.db2.gz PDZDHTZFHZFPAH-HNNXBMFYSA-N 2 1 376.545 3.626 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@H](c2ccccc2)C1 ZINC000647344652 915164999 /nfs/dbraw/zinc/16/49/99/915164999.db2.gz WHCWHVVXKCWQDU-TXDMCHHCSA-N 2 1 389.543 3.754 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@]3(C)COc4ccccc4[C@@H]3[N@@H+]2C)cc1 ZINC001187631226 915399601 /nfs/dbraw/zinc/39/96/01/915399601.db2.gz JLVOOZNJKNFEEW-JCTONOIOSA-N 2 1 393.531 3.573 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@]3(C)COc4ccccc4[C@@H]3[N@H+]2C)cc1 ZINC001187631226 915399617 /nfs/dbraw/zinc/39/96/17/915399617.db2.gz JLVOOZNJKNFEEW-JCTONOIOSA-N 2 1 393.531 3.573 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975814 915457519 /nfs/dbraw/zinc/45/75/19/915457519.db2.gz GKZXLMDZKKHMCB-GVDBMIGSSA-N 2 1 393.959 3.696 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647976735 915457864 /nfs/dbraw/zinc/45/78/64/915457864.db2.gz STJAUMQDHHUCHO-JKSUJKDBSA-N 2 1 394.441 3.967 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](CC1=Cc3cc(Cl)cc(Cl)c3OC1)CCO2 ZINC000648071571 915507791 /nfs/dbraw/zinc/50/77/91/915507791.db2.gz IXNQZMNMCQVJNA-UHFFFAOYSA-N 2 1 383.319 3.566 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1=Cc3cc(Cl)cc(Cl)c3OC1)CCO2 ZINC000648071571 915507822 /nfs/dbraw/zinc/50/78/22/915507822.db2.gz IXNQZMNMCQVJNA-UHFFFAOYSA-N 2 1 383.319 3.566 20 0 GHADMP C[C@@H]1[C@H](C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000648724752 915839586 /nfs/dbraw/zinc/83/95/86/915839586.db2.gz JRMOUNYSJZQJEG-AUSIDOKSSA-N 2 1 391.559 3.906 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000648755496 915863783 /nfs/dbraw/zinc/86/37/83/915863783.db2.gz GQRWOASWSVAFHA-QGZVFWFLSA-N 2 1 386.565 3.627 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)cc2)CC1 ZINC001188313694 915881038 /nfs/dbraw/zinc/88/10/38/915881038.db2.gz ZUYNAVDGNYHCAH-XMMPIXPASA-N 2 1 389.543 3.551 20 0 GHADMP C[NH+]1CCC(c2ccc(C(=O)N3CC[N@H+]4CCc5ccccc5[C@H]4C3)cc2)CC1 ZINC001188313694 915881047 /nfs/dbraw/zinc/88/10/47/915881047.db2.gz ZUYNAVDGNYHCAH-XMMPIXPASA-N 2 1 389.543 3.551 20 0 GHADMP CC[NH+](Cc1cc(C[N@@H+](CC)C[C@H]2CCOC2)ccc1F)C[C@H]1CCOC1 ZINC000649249425 916081534 /nfs/dbraw/zinc/08/15/34/916081534.db2.gz MGTFEQJOFHILJS-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)C[C@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000649249425 916081555 /nfs/dbraw/zinc/08/15/55/916081555.db2.gz MGTFEQJOFHILJS-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)C[C@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000649249425 916081575 /nfs/dbraw/zinc/08/15/75/916081575.db2.gz MGTFEQJOFHILJS-WOJBJXKFSA-N 2 1 378.532 3.543 20 0 GHADMP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(Cl)c1 ZINC000649312912 916099363 /nfs/dbraw/zinc/09/93/63/916099363.db2.gz JDYDADSZKWTQNR-GOSISDBHSA-N 2 1 375.925 3.527 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000649341194 916106036 /nfs/dbraw/zinc/10/60/36/916106036.db2.gz SZTGOFFQARXSRV-ZTFGCOKTSA-N 2 1 377.941 3.601 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000649381530 916131272 /nfs/dbraw/zinc/13/12/72/916131272.db2.gz NFUHJZKVCWGTDY-GOSISDBHSA-N 2 1 393.531 3.838 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cs2)cc1 ZINC000649420384 916149879 /nfs/dbraw/zinc/14/98/79/916149879.db2.gz CDVKAFAKYUSUJL-VQTJNVASSA-N 2 1 386.565 3.913 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000294396740 916784987 /nfs/dbraw/zinc/78/49/87/916784987.db2.gz VQNQOSITMQPXHX-KRWDZBQOSA-N 2 1 379.504 3.682 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001275770788 917093891 /nfs/dbraw/zinc/09/38/91/917093891.db2.gz MCWSLDVSAINTAX-OALUTQOASA-N 2 1 396.362 3.510 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC001275770788 917093907 /nfs/dbraw/zinc/09/39/07/917093907.db2.gz MCWSLDVSAINTAX-OALUTQOASA-N 2 1 396.362 3.510 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)C1 ZINC000650707269 917244036 /nfs/dbraw/zinc/24/40/36/917244036.db2.gz BZDHDRGOTVARBC-CBGDNZLLSA-N 2 1 377.960 3.659 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000650911666 917336888 /nfs/dbraw/zinc/33/68/88/917336888.db2.gz SZCWVNORATUXEP-UFYCRDLUSA-N 2 1 397.567 3.665 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000650911666 917336902 /nfs/dbraw/zinc/33/69/02/917336902.db2.gz SZCWVNORATUXEP-UFYCRDLUSA-N 2 1 397.567 3.665 20 0 GHADMP CC(C)c1[nH+]c(CN(C)C2CC[NH+](CCc3ccccn3)CC2)c2ccccn21 ZINC000651626156 917681114 /nfs/dbraw/zinc/68/11/14/917681114.db2.gz FWEHLJTVEHWKSW-UHFFFAOYSA-N 2 1 391.563 3.992 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCc2ccccc21 ZINC000651883170 917729563 /nfs/dbraw/zinc/72/95/63/917729563.db2.gz YXJNOAMFTZIOKJ-ISKFKSNPSA-N 2 1 376.544 3.650 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCc2ccccc21 ZINC000651883170 917729571 /nfs/dbraw/zinc/72/95/71/917729571.db2.gz YXJNOAMFTZIOKJ-ISKFKSNPSA-N 2 1 376.544 3.650 20 0 GHADMP CCn1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH2+][C@H](C)c3cnn(CC)c3)c2)cn1 ZINC000296114557 917862232 /nfs/dbraw/zinc/86/22/32/917862232.db2.gz QOBJGUQBDUHDGK-IAGOWNOFSA-N 2 1 398.530 3.960 20 0 GHADMP COc1cccc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2CCC(O)CC2)c1 ZINC000652338022 917875815 /nfs/dbraw/zinc/87/58/15/917875815.db2.gz XGYBXZMLFYUVKP-UHFFFAOYSA-N 2 1 380.532 3.647 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cncc(OCc3ccccc3)c2)C1 ZINC000652364027 917882472 /nfs/dbraw/zinc/88/24/72/917882472.db2.gz VRIBOKNZALZGRI-AKIFATBCSA-N 2 1 381.520 3.521 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc3ccccc32)C1 ZINC000652361553 917883241 /nfs/dbraw/zinc/88/32/41/917883241.db2.gz JWPZUJRCMXTFOU-STZQEDGTSA-N 2 1 381.520 3.529 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000296346943 918164490 /nfs/dbraw/zinc/16/44/90/918164490.db2.gz HGAFQYCKNJPRRR-UYAOXDASSA-N 2 1 385.939 3.859 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)o1 ZINC000653970074 918656794 /nfs/dbraw/zinc/65/67/94/918656794.db2.gz XKZSRWQLBNBZEA-LJQANCHMSA-N 2 1 383.536 3.716 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCCOc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000364679250 919832963 /nfs/dbraw/zinc/83/29/63/919832963.db2.gz SEPDTDABICXOJB-LJQANCHMSA-N 2 1 399.501 3.576 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)CC1 ZINC000800328851 919913152 /nfs/dbraw/zinc/91/31/52/919913152.db2.gz VHRDGDNKBDCFBP-FQEVSTJZSA-N 2 1 379.976 3.599 20 0 GHADMP [NH3+]CCCC[C@H]([NH2+]Cc1ccnc(-c2ccccn2)n1)c1ccc(F)cc1F ZINC000902401964 922164182 /nfs/dbraw/zinc/16/41/82/922164182.db2.gz GNKVLHRPBWFPIS-IBGZPJMESA-N 2 1 383.446 3.777 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(-c2ccccc2)n1C ZINC000902501124 922241964 /nfs/dbraw/zinc/24/19/64/922241964.db2.gz IPLHTDAJBZFZLY-GERBCZOESA-N 2 1 388.515 3.994 20 0 GHADMP OC[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000802656007 922314065 /nfs/dbraw/zinc/31/40/65/922314065.db2.gz JJOGFCOSGUDVTC-VWLOTQADSA-N 2 1 394.559 3.687 20 0 GHADMP COC(=O)c1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(C)c1 ZINC000902799939 922503933 /nfs/dbraw/zinc/50/39/33/922503933.db2.gz HZHSYACNRUWSJJ-QGZVFWFLSA-N 2 1 399.535 3.949 20 0 GHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(=O)N1CCc2sccc2C1 ZINC000903090177 922764656 /nfs/dbraw/zinc/76/46/56/922764656.db2.gz WLLCMPSRJMKCIL-QZNYNHHHSA-N 2 1 387.593 3.549 20 0 GHADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(=O)N1CCc2sccc2C1 ZINC000903090177 922764682 /nfs/dbraw/zinc/76/46/82/922764682.db2.gz WLLCMPSRJMKCIL-QZNYNHHHSA-N 2 1 387.593 3.549 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](c3ccccc3F)C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000903107288 922778495 /nfs/dbraw/zinc/77/84/95/922778495.db2.gz PVAIAGRLPSNRQO-QHCPKHFHSA-N 2 1 398.526 3.959 20 0 GHADMP COc1cc2[nH]c(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2c(OC)c1 ZINC000903111861 922782169 /nfs/dbraw/zinc/78/21/69/922782169.db2.gz XHQYYRZKNMGKDA-JLYLLQBASA-N 2 1 383.536 3.865 20 0 GHADMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OCc1ccccc1 ZINC000903956352 923434505 /nfs/dbraw/zinc/43/45/05/923434505.db2.gz JWTIOWMVRHHDGY-GOSISDBHSA-N 2 1 376.447 3.609 20 0 GHADMP Cc1c(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc2ccccn12 ZINC001137269397 924167380 /nfs/dbraw/zinc/16/73/80/924167380.db2.gz LYYWBYHHYAJMDA-UHFFFAOYSA-N 2 1 389.547 3.914 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000678235161 924679827 /nfs/dbraw/zinc/67/98/27/924679827.db2.gz PBZRFVVEGILOOG-OAQYLSRUSA-N 2 1 382.504 3.735 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678285996 924707717 /nfs/dbraw/zinc/70/77/17/924707717.db2.gz SMAUPDNLRMJABG-PXDATVDWSA-N 2 1 392.591 3.912 20 0 GHADMP C(C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637774 924857849 /nfs/dbraw/zinc/85/78/49/924857849.db2.gz CEVDYTOFOOOJLP-LUKWVAJMSA-N 2 1 378.601 3.654 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)o2)cc1C ZINC000371962582 925025847 /nfs/dbraw/zinc/02/58/47/925025847.db2.gz MIAWCJFBFIJENG-CTNGQTDRSA-N 2 1 397.567 3.515 20 0 GHADMP Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)o2)cc1C ZINC000371962582 925025857 /nfs/dbraw/zinc/02/58/57/925025857.db2.gz MIAWCJFBFIJENG-CTNGQTDRSA-N 2 1 397.567 3.515 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)NCc1cccs1 ZINC000680038510 925339113 /nfs/dbraw/zinc/33/91/13/925339113.db2.gz NIXCDRITVZKUPW-HVJHZFLKSA-N 2 1 397.588 3.643 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[NH+](C4CCCC4)CC3)cc2)C1 ZINC000410366630 925574895 /nfs/dbraw/zinc/57/48/95/925574895.db2.gz HPQSMGSTVGOWOL-HXUWFJFHSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000681081721 925716775 /nfs/dbraw/zinc/71/67/75/925716775.db2.gz FKIQXRBTBTZXNP-DNVCBOLYSA-N 2 1 381.358 3.613 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)CC1 ZINC001137446654 925816331 /nfs/dbraw/zinc/81/63/31/925816331.db2.gz DTAPUBPGOHWVLN-UHFFFAOYSA-N 2 1 399.579 3.898 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000392233438 926404852 /nfs/dbraw/zinc/40/48/52/926404852.db2.gz CFMVHPNOJBXGEF-XUVXKRRUSA-N 2 1 377.573 3.796 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000411472940 926436047 /nfs/dbraw/zinc/43/60/47/926436047.db2.gz JAERSKOUNQNQTJ-INIZCTEOSA-N 2 1 378.476 3.869 20 0 GHADMP CN(c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC000749209509 927002029 /nfs/dbraw/zinc/00/20/29/927002029.db2.gz ZSVMAOJPDHTUON-QFIPXVFZSA-N 2 1 384.568 3.563 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)c2cc1C(C)C ZINC000749546890 927182364 /nfs/dbraw/zinc/18/23/64/927182364.db2.gz SPSRAVNXBCRBIR-AVCGJXAMSA-N 2 1 398.547 3.908 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)c2cc1C(C)C ZINC000749546890 927182371 /nfs/dbraw/zinc/18/23/71/927182371.db2.gz SPSRAVNXBCRBIR-AVCGJXAMSA-N 2 1 398.547 3.908 20 0 GHADMP C[C@H](CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000751091400 928024097 /nfs/dbraw/zinc/02/40/97/928024097.db2.gz DUQOHTOBECHRHN-GOSISDBHSA-N 2 1 380.621 3.506 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CC(c4cccc(F)c4)C3)c2)C1 ZINC000544035845 928716153 /nfs/dbraw/zinc/71/61/53/928716153.db2.gz ZSYJTQXZMDQEMK-ZJOBEGKPSA-N 2 1 395.522 3.559 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000544232646 928959270 /nfs/dbraw/zinc/95/92/70/928959270.db2.gz LYNKRTQFMMMYRK-CTNGQTDRSA-N 2 1 398.595 3.828 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000544348967 929079811 /nfs/dbraw/zinc/07/98/11/929079811.db2.gz VBFDPQZURWPGPS-QHCPKHFHSA-N 2 1 376.504 3.838 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546015948 929774443 /nfs/dbraw/zinc/77/44/43/929774443.db2.gz HJTFTTZXZCUFDB-PMACEKPBSA-N 2 1 385.596 3.914 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N(C)c1ccc(F)cc1 ZINC000469358759 929817107 /nfs/dbraw/zinc/81/71/07/929817107.db2.gz LYXXBRKLZRSPBC-UHFFFAOYSA-N 2 1 390.547 3.510 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000469483790 929930177 /nfs/dbraw/zinc/93/01/77/929930177.db2.gz KVLKPMIIMNSDSR-UHFFFAOYSA-N 2 1 393.329 3.859 20 0 GHADMP Cc1ccc2[nH+]ccc(N3CCC(OCC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000546182815 929934316 /nfs/dbraw/zinc/93/43/16/929934316.db2.gz PEORWWFRZDKWQS-OALUTQOASA-N 2 1 383.536 3.638 20 0 GHADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000470375441 930570737 /nfs/dbraw/zinc/57/07/37/930570737.db2.gz NDFGGQXHCGTQIV-UHFFFAOYSA-N 2 1 389.543 3.951 20 0 GHADMP COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000547018985 930619384 /nfs/dbraw/zinc/61/93/84/930619384.db2.gz YIKFMJODHLSPQQ-SFHVURJKSA-N 2 1 386.511 3.635 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000470468448 930642012 /nfs/dbraw/zinc/64/20/12/930642012.db2.gz ZKACJVLXCHVKIK-OAQYLSRUSA-N 2 1 388.600 3.801 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000470884695 930998777 /nfs/dbraw/zinc/99/87/77/930998777.db2.gz YTGUIPZSZIJFRS-TZIWHRDSSA-N 2 1 398.595 3.585 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470898016 931011276 /nfs/dbraw/zinc/01/12/76/931011276.db2.gz PUVYMIZBOBRRBH-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470898016 931011280 /nfs/dbraw/zinc/01/12/80/931011280.db2.gz PUVYMIZBOBRRBH-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470898016 931011286 /nfs/dbraw/zinc/01/12/86/931011286.db2.gz PUVYMIZBOBRRBH-RZUBCFFCSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](CCCCCCCCC[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)CCN1C ZINC000781903398 931019497 /nfs/dbraw/zinc/01/94/97/931019497.db2.gz SDWQERUNSNIXAP-BJESRGMDSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1[C@H](C)[N@H+](CCCCCCCCC[NH+]2CCN(C)[C@@H](C)[C@@H]2C)CCN1C ZINC000781903398 931019504 /nfs/dbraw/zinc/01/95/04/931019504.db2.gz SDWQERUNSNIXAP-BJESRGMDSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](CCCCCCCCC[NH+]2CCN(C)[C@@H](C)[C@@H]2C)CCN1C ZINC000781903398 931019510 /nfs/dbraw/zinc/01/95/10/931019510.db2.gz SDWQERUNSNIXAP-BJESRGMDSA-N 2 1 380.665 3.766 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OCC ZINC000924558156 931420909 /nfs/dbraw/zinc/42/09/09/931420909.db2.gz BWNFRWUKGLSDMW-OHSMVPPVSA-N 2 1 376.541 3.776 20 0 GHADMP COc1ccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000557575550 931554196 /nfs/dbraw/zinc/55/41/96/931554196.db2.gz BEHXFDGJSNQIHT-JOCHJYFZSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@H](NC1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CCOCC1)c1ccccc1 ZINC000925518742 931809329 /nfs/dbraw/zinc/80/93/29/931809329.db2.gz ZNLXDZZANPWNES-PMOQBDJRSA-N 2 1 385.596 3.644 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)c1 ZINC000784318859 931854121 /nfs/dbraw/zinc/85/41/21/931854121.db2.gz ANPRFRMSNCNCBX-YFNKSVMNSA-N 2 1 380.532 3.683 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2C[C@H](O)C[NH+]2CCCC2)c1 ZINC000784318859 931854128 /nfs/dbraw/zinc/85/41/28/931854128.db2.gz ANPRFRMSNCNCBX-YFNKSVMNSA-N 2 1 380.532 3.683 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000558417231 931991044 /nfs/dbraw/zinc/99/10/44/931991044.db2.gz BMGBOSUOQZVPDX-OAHLLOKOSA-N 2 1 376.907 3.867 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000558417230 931991262 /nfs/dbraw/zinc/99/12/62/931991262.db2.gz BMGBOSUOQZVPDX-HNNXBMFYSA-N 2 1 376.907 3.867 20 0 GHADMP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000926877892 932333443 /nfs/dbraw/zinc/33/34/43/932333443.db2.gz JVINZZDIWAGOJJ-ITYAMSQCSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000926877892 932333455 /nfs/dbraw/zinc/33/34/55/932333455.db2.gz JVINZZDIWAGOJJ-ITYAMSQCSA-N 2 1 390.593 3.548 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000798957176 932839484 /nfs/dbraw/zinc/83/94/84/932839484.db2.gz XOZQZLGLXHRUMN-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Br)c4c(c3)OCCO4)C2)CC1 ZINC000798957021 932839753 /nfs/dbraw/zinc/83/97/53/932839753.db2.gz IRVQWDLDNNAPCH-UHFFFAOYSA-N 2 1 395.341 3.528 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CCCC3)C2)CC1 ZINC000799178262 932900580 /nfs/dbraw/zinc/90/05/80/932900580.db2.gz JKXAHUHOFLDTFJ-HSZRJFAPSA-N 2 1 383.580 3.842 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000560546299 933331072 /nfs/dbraw/zinc/33/10/72/933331072.db2.gz YMXPVZNCYLJAMQ-BJLQDIEVSA-N 2 1 393.531 3.969 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000560585116 933362054 /nfs/dbraw/zinc/36/20/54/933362054.db2.gz QMNZDAUPZINIJI-NZSAHSFTSA-N 2 1 394.401 3.965 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000560585116 933362064 /nfs/dbraw/zinc/36/20/64/933362064.db2.gz QMNZDAUPZINIJI-NZSAHSFTSA-N 2 1 394.401 3.965 20 0 GHADMP CC[N@@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)C ZINC001117711080 933991733 /nfs/dbraw/zinc/99/17/33/933991733.db2.gz NIQYUPFKPIVMIT-FRIKZZABSA-N 2 1 386.584 3.602 20 0 GHADMP CC[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC001117711080 933991737 /nfs/dbraw/zinc/99/17/37/933991737.db2.gz NIQYUPFKPIVMIT-FRIKZZABSA-N 2 1 386.584 3.602 20 0 GHADMP CC[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC001117711080 933991754 /nfs/dbraw/zinc/99/17/54/933991754.db2.gz NIQYUPFKPIVMIT-FRIKZZABSA-N 2 1 386.584 3.602 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3[NH2+]Cc2ccc(N3CCCC3)nc2)cc1 ZINC001117736869 934000508 /nfs/dbraw/zinc/00/05/08/934000508.db2.gz ADXVAURIZWHNGI-RIKCKFAHSA-N 2 1 376.548 3.682 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3coc(C(C)(C)C)n3)C2)ccn1 ZINC000931092522 934373458 /nfs/dbraw/zinc/37/34/58/934373458.db2.gz CKOXDJZZMHLIDT-FQEVSTJZSA-N 2 1 386.540 3.861 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1cccc(C(F)(F)F)c1 ZINC000561774229 934441834 /nfs/dbraw/zinc/44/18/34/934441834.db2.gz WGRLJIDVIIUSTE-AZUAARDMSA-N 2 1 397.485 3.643 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000829959517 935885632 /nfs/dbraw/zinc/88/56/32/935885632.db2.gz XQMZOHKPEGYNLD-QFBILLFUSA-N 2 1 385.474 3.724 20 0 GHADMP C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001220723587 1032084585 /nfs/dbraw/zinc/08/45/85/1032084585.db2.gz PWZITKQARRUUHE-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001220723587 1032084602 /nfs/dbraw/zinc/08/46/02/1032084602.db2.gz PWZITKQARRUUHE-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1cc(Br)cc2cc([C@@H]([NH2+]C[C@@]3(O)CC[N@H+](C)C3)C(C)C)oc21 ZINC000545159681 1015595773 /nfs/dbraw/zinc/59/57/73/1015595773.db2.gz YAGTWLQFJCSAPV-HKUYNNGSSA-N 2 1 395.341 3.857 20 0 GHADMP Cc1cc(Br)cc2cc([C@@H]([NH2+]C[C@@]3(O)CC[N@@H+](C)C3)C(C)C)oc21 ZINC000545159681 1015595780 /nfs/dbraw/zinc/59/57/80/1015595780.db2.gz YAGTWLQFJCSAPV-HKUYNNGSSA-N 2 1 395.341 3.857 20 0 GHADMP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000468377742 1015643337 /nfs/dbraw/zinc/64/33/37/1015643337.db2.gz QLWOHLXMIPDUHS-GOSISDBHSA-N 2 1 377.598 3.932 20 0 GHADMP Cc1cccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000468430369 1015700307 /nfs/dbraw/zinc/70/03/07/1015700307.db2.gz TWNZTIOJZUMHRE-HYBUGGRVSA-N 2 1 393.575 3.803 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000468579115 1015819142 /nfs/dbraw/zinc/81/91/42/1015819142.db2.gz QGPXCKYWIQVZHM-QHCPKHFHSA-N 2 1 393.575 3.951 20 0 GHADMP C[C@H]([N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000470549987 1016818205 /nfs/dbraw/zinc/81/82/05/1016818205.db2.gz SNOPQSNDJMXBEV-IBGZPJMESA-N 2 1 381.568 3.665 20 0 GHADMP C[C@H]([N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000470549987 1016818212 /nfs/dbraw/zinc/81/82/12/1016818212.db2.gz SNOPQSNDJMXBEV-IBGZPJMESA-N 2 1 381.568 3.665 20 0 GHADMP CCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001221069298 1032265224 /nfs/dbraw/zinc/26/52/24/1032265224.db2.gz VGVBRDIJAZGUFH-NRFANRHFSA-N 2 1 386.584 3.557 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221397178 1032394305 /nfs/dbraw/zinc/39/43/05/1032394305.db2.gz HDIFLCDHKNWCRK-VWLOTQADSA-N 2 1 399.538 3.520 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)N[C@H](C[NH3+])c1cccc(OC)c1)c1ccccc1 ZINC001221404342 1032399999 /nfs/dbraw/zinc/39/99/99/1032399999.db2.gz HOCIXFSKRCHTFV-FGZHOGPDSA-N 2 1 383.536 3.675 20 0 GHADMP COc1cc2ccnc(N3CC[N@H+]4CCc5ccccc5[C@@H]4C3)c2cc1OC ZINC001155094457 1032411178 /nfs/dbraw/zinc/41/11/78/1032411178.db2.gz CAKRJRLAQNCUNU-FQEVSTJZSA-N 2 1 375.472 3.671 20 0 GHADMP COc1cc2ccnc(N3CCN4CCc5ccccc5[C@@H]4C3)c2cc1OC ZINC001155094457 1032411182 /nfs/dbraw/zinc/41/11/82/1032411182.db2.gz CAKRJRLAQNCUNU-FQEVSTJZSA-N 2 1 375.472 3.671 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccco1 ZINC001221547752 1032457560 /nfs/dbraw/zinc/45/75/60/1032457560.db2.gz SITAUIJLMUDLAJ-UXHICEINSA-N 2 1 390.572 3.759 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)c1 ZINC001221604376 1032478383 /nfs/dbraw/zinc/47/83/83/1032478383.db2.gz WIEIEAUWRAXNQD-XMMPIXPASA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001221604376 1032478386 /nfs/dbraw/zinc/47/83/86/1032478386.db2.gz WIEIEAUWRAXNQD-XMMPIXPASA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001221604376 1032478392 /nfs/dbraw/zinc/47/83/92/1032478392.db2.gz WIEIEAUWRAXNQD-XMMPIXPASA-N 2 1 394.563 3.602 20 0 GHADMP Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc(C(C)C)n1 ZINC001155359186 1032518122 /nfs/dbraw/zinc/51/81/22/1032518122.db2.gz XZODBIJNGQZNQP-OAQYLSRUSA-N 2 1 393.579 3.822 20 0 GHADMP Cc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)c2cncc(Br)c2)cc1 ZINC000926207568 1017233278 /nfs/dbraw/zinc/23/32/78/1017233278.db2.gz SKXKLDRWXBIIAN-IBGZPJMESA-N 2 1 385.309 3.808 20 0 GHADMP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4nccn4C)C3)cs2)cc1OC ZINC000559542472 1017466167 /nfs/dbraw/zinc/46/61/67/1017466167.db2.gz VKLRMARGDKNQBN-MRXNPFEDSA-N 2 1 398.532 3.940 20 0 GHADMP CCOc1ccc(-c2nc(CN3CC[C@@H](c4nccn4C)C3)cs2)cc1OC ZINC000559542472 1017466176 /nfs/dbraw/zinc/46/61/76/1017466176.db2.gz VKLRMARGDKNQBN-MRXNPFEDSA-N 2 1 398.532 3.940 20 0 GHADMP COc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204268245 1032710846 /nfs/dbraw/zinc/71/08/46/1032710846.db2.gz GZRSQAVBKVCJHM-OAQYLSRUSA-N 2 1 384.520 3.679 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC001204269892 1032713335 /nfs/dbraw/zinc/71/33/35/1032713335.db2.gz LRVOKKWWHJZSAI-XMMPIXPASA-N 3 1 395.591 3.971 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001204269892 1032713351 /nfs/dbraw/zinc/71/33/51/1032713351.db2.gz LRVOKKWWHJZSAI-XMMPIXPASA-N 3 1 395.591 3.971 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001204269892 1032713366 /nfs/dbraw/zinc/71/33/66/1032713366.db2.gz LRVOKKWWHJZSAI-XMMPIXPASA-N 3 1 395.591 3.971 20 0 GHADMP CN(Cc1ccc(OCCC[NH+](C)C)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204269892 1032713379 /nfs/dbraw/zinc/71/33/79/1032713379.db2.gz LRVOKKWWHJZSAI-XMMPIXPASA-N 2 1 395.591 3.971 20 0 GHADMP CN(Cc1ccc(OCCC[NH+](C)C)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204269892 1032713382 /nfs/dbraw/zinc/71/33/82/1032713382.db2.gz LRVOKKWWHJZSAI-XMMPIXPASA-N 2 1 395.591 3.971 20 0 GHADMP Cc1[nH]c2ccccc2c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001204291231 1032732629 /nfs/dbraw/zinc/73/26/29/1032732629.db2.gz IIDIURDOTAOMLG-UHFFFAOYSA-N 2 1 377.536 3.717 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C[C@H](C)O1 ZINC000561979874 1017996908 /nfs/dbraw/zinc/99/69/08/1017996908.db2.gz ICSSQDAVQYYDPX-CALCHBBNSA-N 2 1 382.495 3.714 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C[C@H](C)O1 ZINC000561979874 1017996911 /nfs/dbraw/zinc/99/69/11/1017996911.db2.gz ICSSQDAVQYYDPX-CALCHBBNSA-N 2 1 382.495 3.714 20 0 GHADMP CCCOc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001204304493 1032746491 /nfs/dbraw/zinc/74/64/91/1032746491.db2.gz GLIUZWYCSLOAJO-UHFFFAOYSA-N 2 1 382.552 3.716 20 0 GHADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000567382321 1019287648 /nfs/dbraw/zinc/28/76/48/1019287648.db2.gz BZNHQZNAIYAZOX-QGPMSJSTSA-N 2 1 385.474 3.593 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)o1 ZINC001204390661 1032817474 /nfs/dbraw/zinc/81/74/74/1032817474.db2.gz IUZOHQUBFYKNOQ-FQEVSTJZSA-N 2 1 390.568 3.572 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]CC(Cc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000568457211 1019409642 /nfs/dbraw/zinc/40/96/42/1019409642.db2.gz XTLYPDVHPBTSMC-UHFFFAOYSA-N 2 1 379.592 3.704 20 0 GHADMP FC(F)(F)Oc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204429330 1032862068 /nfs/dbraw/zinc/86/20/68/1032862068.db2.gz DAYLHFCSOZXVRU-MOPGFXCFSA-N 2 1 391.437 3.934 20 0 GHADMP FC(F)(F)Oc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204429330 1032862083 /nfs/dbraw/zinc/86/20/83/1032862083.db2.gz DAYLHFCSOZXVRU-MOPGFXCFSA-N 2 1 391.437 3.934 20 0 GHADMP FC(F)(F)Oc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204429330 1032862099 /nfs/dbraw/zinc/86/20/99/1032862099.db2.gz DAYLHFCSOZXVRU-MOPGFXCFSA-N 2 1 391.437 3.934 20 0 GHADMP FC(F)(F)Oc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001204429330 1032862112 /nfs/dbraw/zinc/86/21/12/1032862112.db2.gz DAYLHFCSOZXVRU-MOPGFXCFSA-N 2 1 391.437 3.934 20 0 GHADMP C[C@H](O)[C@@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1F ZINC000576350219 1020007410 /nfs/dbraw/zinc/00/74/10/1020007410.db2.gz JYTJNTMVFCWKAE-GAJHUEQPSA-N 2 1 385.527 3.568 20 0 GHADMP c1csc([C@H]2C[NH2+]CCN2c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001156097008 1032875016 /nfs/dbraw/zinc/87/50/16/1032875016.db2.gz DZTQKZQTGBIUEE-OAQYLSRUSA-N 2 1 390.556 3.852 20 0 GHADMP CN(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975213 1020290062 /nfs/dbraw/zinc/29/00/62/1020290062.db2.gz MIBKVTFFNJHACJ-UGKGYDQZSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975213 1020290068 /nfs/dbraw/zinc/29/00/68/1020290068.db2.gz MIBKVTFFNJHACJ-UGKGYDQZSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975213 1020290073 /nfs/dbraw/zinc/29/00/73/1020290073.db2.gz MIBKVTFFNJHACJ-UGKGYDQZSA-N 2 1 399.966 3.971 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000578102303 1020328256 /nfs/dbraw/zinc/32/82/56/1020328256.db2.gz CBWDPWPSZNXPRN-VMAPGKTHSA-N 2 1 376.544 3.938 20 0 GHADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC000779149281 1020419675 /nfs/dbraw/zinc/41/96/75/1020419675.db2.gz FEUHKINNAAMEQH-NHCUHLMSSA-N 2 1 385.552 3.631 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc4c(c3)CCCC[C@@H]4[NH3+])c2)CC1 ZINC000629761961 1020767104 /nfs/dbraw/zinc/76/71/04/1020767104.db2.gz KSTIABKYZNARTA-DEOSSOPVSA-N 2 1 377.532 3.744 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3ccc(OCCC[NH+](C)C)cc3)c2)CC1 ZINC001204537598 1032957398 /nfs/dbraw/zinc/95/73/98/1032957398.db2.gz KMJUJPUVCBSUQM-UHFFFAOYSA-N 2 1 382.552 3.508 20 0 GHADMP C[N@H+](Cc1ccccc1-c1cnc(N)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001140320837 1021392649 /nfs/dbraw/zinc/39/26/49/1021392649.db2.gz KXINGWVPZZYNQZ-UHFFFAOYSA-N 2 1 387.531 3.822 20 0 GHADMP C[N@@H+](Cc1ccccc1-c1cnc(N)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001140320837 1021392664 /nfs/dbraw/zinc/39/26/64/1021392664.db2.gz KXINGWVPZZYNQZ-UHFFFAOYSA-N 2 1 387.531 3.822 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4ccc(C[NH+]5CCCC5)cn4)[C@@H]3C2)cc1 ZINC001156317729 1032980877 /nfs/dbraw/zinc/98/08/77/1032980877.db2.gz NDTAITLZLTZVQA-ZRBLBEILSA-N 2 1 376.548 4.000 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140408262 1021589364 /nfs/dbraw/zinc/58/93/64/1021589364.db2.gz DOXRUAHERYVFCV-CALCHBBNSA-N 2 1 386.337 3.895 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140408262 1021589381 /nfs/dbraw/zinc/58/93/81/1021589381.db2.gz DOXRUAHERYVFCV-CALCHBBNSA-N 2 1 386.337 3.895 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3-c3cccc(Br)n3)C[C@@H]2C1 ZINC001140408262 1021589393 /nfs/dbraw/zinc/58/93/93/1021589393.db2.gz DOXRUAHERYVFCV-CALCHBBNSA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1-c1cccc(Br)n1)C2 ZINC001140409187 1021591408 /nfs/dbraw/zinc/59/14/08/1021591408.db2.gz LSQGFAGALQCMJB-OXQOHEQNSA-N 2 1 386.337 3.895 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1-c1cccc(Br)n1)C2 ZINC001140409187 1021591420 /nfs/dbraw/zinc/59/14/20/1021591420.db2.gz LSQGFAGALQCMJB-OXQOHEQNSA-N 2 1 386.337 3.895 20 0 GHADMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140460475 1021749772 /nfs/dbraw/zinc/74/97/72/1021749772.db2.gz DAADVKBKLKOCFB-OAHLLOKOSA-N 2 1 387.281 3.682 20 0 GHADMP Cc1cnccc1O[C@@H]1CCN(Cc2c[nH]c3ncc(Br)cc23)C1 ZINC001140460475 1021749790 /nfs/dbraw/zinc/74/97/90/1021749790.db2.gz DAADVKBKLKOCFB-OAHLLOKOSA-N 2 1 387.281 3.682 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cc(Br)cc(Br)c2)CC1 ZINC001205558894 1033469078 /nfs/dbraw/zinc/46/90/78/1033469078.db2.gz LEDNIPUBMINSHA-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cc(Br)cc(Br)c2)CC1 ZINC001205558894 1033469088 /nfs/dbraw/zinc/46/90/88/1033469088.db2.gz LEDNIPUBMINSHA-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2O[C@H](C)C(=O)OC)CC1 ZINC001204651497 1033012921 /nfs/dbraw/zinc/01/29/21/1033012921.db2.gz OVSZIYQAUZYTHS-GOSISDBHSA-N 2 1 376.541 3.571 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC(CC[NH+]4CCCC[C@@H]4C)CC3)C[N@H+]2C1 ZINC001137309286 1021877598 /nfs/dbraw/zinc/87/75/98/1021877598.db2.gz DUBBOKXFIOOEAV-KIZRIRGWSA-N 2 1 375.601 3.610 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)C[NH+]2C1 ZINC001137309286 1021877610 /nfs/dbraw/zinc/87/76/10/1021877610.db2.gz DUBBOKXFIOOEAV-KIZRIRGWSA-N 2 1 375.601 3.610 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)C[NH+]2C1 ZINC001137309286 1021877618 /nfs/dbraw/zinc/87/76/18/1021877618.db2.gz DUBBOKXFIOOEAV-KIZRIRGWSA-N 2 1 375.601 3.610 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001140524761 1021919425 /nfs/dbraw/zinc/91/94/25/1021919425.db2.gz SVHURYWEVUIGQE-OALUTQOASA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001140524761 1021919430 /nfs/dbraw/zinc/91/94/30/1021919430.db2.gz SVHURYWEVUIGQE-OALUTQOASA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)s1 ZINC001140524761 1021919434 /nfs/dbraw/zinc/91/94/34/1021919434.db2.gz SVHURYWEVUIGQE-OALUTQOASA-N 2 1 384.545 3.879 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001228629760 1033019733 /nfs/dbraw/zinc/01/97/33/1033019733.db2.gz YQTQAADZTNYKCK-GGPKGHCWSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001228629760 1033019750 /nfs/dbraw/zinc/01/97/50/1033019750.db2.gz YQTQAADZTNYKCK-GGPKGHCWSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001228629760 1033019768 /nfs/dbraw/zinc/01/97/68/1033019768.db2.gz YQTQAADZTNYKCK-GGPKGHCWSA-N 2 1 392.613 3.503 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC001140697602 1022297823 /nfs/dbraw/zinc/29/78/23/1022297823.db2.gz YGUGJTVAJPFWBF-UHFFFAOYSA-N 2 1 375.601 3.666 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCSC(C)(C)C ZINC000754070011 1022460597 /nfs/dbraw/zinc/46/05/97/1022460597.db2.gz UXFIRUNCQFYIQI-UHFFFAOYSA-N 2 1 397.673 3.953 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140841969 1022676410 /nfs/dbraw/zinc/67/64/10/1022676410.db2.gz ANMYLZJPQLCPLR-MOPGFXCFSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001140841969 1022676419 /nfs/dbraw/zinc/67/64/19/1022676419.db2.gz ANMYLZJPQLCPLR-MOPGFXCFSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140841969 1022676434 /nfs/dbraw/zinc/67/64/34/1022676434.db2.gz ANMYLZJPQLCPLR-MOPGFXCFSA-N 2 1 397.592 3.584 20 0 GHADMP CNc1nc(SC)ncc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001140841969 1022676448 /nfs/dbraw/zinc/67/64/48/1022676448.db2.gz ANMYLZJPQLCPLR-MOPGFXCFSA-N 2 1 397.592 3.584 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1N ZINC001140897271 1022828077 /nfs/dbraw/zinc/82/80/77/1022828077.db2.gz RVWKHJQUOQYNLL-UHFFFAOYSA-N 2 1 380.536 3.549 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140973922 1023049479 /nfs/dbraw/zinc/04/94/79/1023049479.db2.gz QKSVADWMVZSEAC-UHFFFAOYSA-N 2 1 392.591 3.535 20 0 GHADMP COC(=O)N1CCC([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000756899921 1023852787 /nfs/dbraw/zinc/85/27/87/1023852787.db2.gz KFRASFGCPWTMIH-UHFFFAOYSA-N 2 1 395.547 3.899 20 0 GHADMP CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138057094 1023962052 /nfs/dbraw/zinc/96/20/52/1023962052.db2.gz GWLUPITUAYOVAL-XZOQPEGZSA-N 2 1 379.548 3.802 20 0 GHADMP CCOC(=O)c1ncc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001204938311 1033175986 /nfs/dbraw/zinc/17/59/86/1033175986.db2.gz QFAYWCGMCGYFSL-MISYRCLQSA-N 2 1 399.560 3.710 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001204938311 1033175993 /nfs/dbraw/zinc/17/59/93/1033175993.db2.gz QFAYWCGMCGYFSL-MISYRCLQSA-N 2 1 399.560 3.710 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC001204938311 1033176004 /nfs/dbraw/zinc/17/60/04/1033176004.db2.gz QFAYWCGMCGYFSL-MISYRCLQSA-N 2 1 399.560 3.710 20 0 GHADMP COC(=O)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]c1C ZINC001204938896 1033177505 /nfs/dbraw/zinc/17/75/05/1033177505.db2.gz UNHGWTROBYZHNI-STZQEDGTSA-N 2 1 381.520 3.500 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C12CCCC2 ZINC000831021892 1024312578 /nfs/dbraw/zinc/31/25/78/1024312578.db2.gz MSUKFTMYVQQLJG-SFHVURJKSA-N 2 1 376.545 3.884 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831146002 1024380281 /nfs/dbraw/zinc/38/02/81/1024380281.db2.gz AHUDXBDWRLVUID-OALUTQOASA-N 2 1 398.954 3.821 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCCCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831146002 1024380300 /nfs/dbraw/zinc/38/03/00/1024380300.db2.gz AHUDXBDWRLVUID-OALUTQOASA-N 2 1 398.954 3.821 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000831164337 1024396504 /nfs/dbraw/zinc/39/65/04/1024396504.db2.gz CCPVWPZYCISZDV-WVYLNQBTSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCCCC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000831164337 1024396521 /nfs/dbraw/zinc/39/65/21/1024396521.db2.gz CCPVWPZYCISZDV-WVYLNQBTSA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCCCC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000831164337 1024396538 /nfs/dbraw/zinc/39/65/38/1024396538.db2.gz CCPVWPZYCISZDV-WVYLNQBTSA-N 2 1 392.628 3.798 20 0 GHADMP CC1(C)CC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC001141298673 1024446825 /nfs/dbraw/zinc/44/68/25/1024446825.db2.gz BKTAAMADDLUWRT-IBGZPJMESA-N 2 1 375.532 3.606 20 0 GHADMP CC1(C)CC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC001141298673 1024446833 /nfs/dbraw/zinc/44/68/33/1024446833.db2.gz BKTAAMADDLUWRT-IBGZPJMESA-N 2 1 375.532 3.606 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@@H]2C1 ZINC001138276726 1024529975 /nfs/dbraw/zinc/52/99/75/1024529975.db2.gz USWLEAVCLDKESL-KBPBESRZSA-N 2 1 398.498 3.941 20 0 GHADMP COc1ccsc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001141322938 1024549386 /nfs/dbraw/zinc/54/93/86/1024549386.db2.gz HIUYIXPTPOCTOQ-MRXNPFEDSA-N 2 1 376.522 3.605 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(N3Cc4ccccc4C3=O)CC2)cc1 ZINC001138550362 1024998696 /nfs/dbraw/zinc/99/86/96/1024998696.db2.gz QSKOFCBAANSGDC-UHFFFAOYSA-N 2 1 386.499 3.801 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)n1 ZINC001138550554 1024999091 /nfs/dbraw/zinc/99/90/91/1024999091.db2.gz WYSKKTXDLOPRSX-HXUWFJFHSA-N 2 1 378.476 3.628 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)n1 ZINC001138550554 1024999094 /nfs/dbraw/zinc/99/90/94/1024999094.db2.gz WYSKKTXDLOPRSX-HXUWFJFHSA-N 2 1 378.476 3.628 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000831992348 1025097409 /nfs/dbraw/zinc/09/74/09/1025097409.db2.gz HDKFJIGYUUWPJQ-IBGZPJMESA-N 2 1 390.572 3.939 20 0 GHADMP CCCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138637562 1025144842 /nfs/dbraw/zinc/14/48/42/1025144842.db2.gz BEZVTCPVHRSRBC-VJBMBRPKSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138637562 1025144847 /nfs/dbraw/zinc/14/48/47/1025144847.db2.gz BEZVTCPVHRSRBC-VJBMBRPKSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138637562 1025144850 /nfs/dbraw/zinc/14/48/50/1025144850.db2.gz BEZVTCPVHRSRBC-VJBMBRPKSA-N 2 1 381.568 3.729 20 0 GHADMP CCCn1ncc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C ZINC001138637562 1025144855 /nfs/dbraw/zinc/14/48/55/1025144855.db2.gz BEZVTCPVHRSRBC-VJBMBRPKSA-N 2 1 381.568 3.729 20 0 GHADMP FC(F)(F)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nn1 ZINC001141492785 1025241100 /nfs/dbraw/zinc/24/11/00/1025241100.db2.gz GVYFSFJBBFSTQG-UHFFFAOYSA-N 2 1 380.414 3.577 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cc1 ZINC001138770825 1025340146 /nfs/dbraw/zinc/34/01/46/1025340146.db2.gz UBUUIAFVSOPBRQ-QPPBQGQZSA-N 2 1 395.547 3.703 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)cc1 ZINC001138772286 1025341514 /nfs/dbraw/zinc/34/15/14/1025341514.db2.gz XYXKOOHALQLHDZ-UHFFFAOYSA-N 2 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CCCC3(C[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001138772286 1025341521 /nfs/dbraw/zinc/34/15/21/1025341521.db2.gz XYXKOOHALQLHDZ-UHFFFAOYSA-N 2 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1 ZINC001138773797 1025345340 /nfs/dbraw/zinc/34/53/40/1025345340.db2.gz OCWIZUQCHSOLEA-OALUTQOASA-N 2 1 385.939 3.744 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1 ZINC001138773797 1025345354 /nfs/dbraw/zinc/34/53/54/1025345354.db2.gz OCWIZUQCHSOLEA-OALUTQOASA-N 2 1 385.939 3.744 20 0 GHADMP C[N@H+](Cc1cc(Br)c(Br)o1)CC1CC[NH+](C)CC1 ZINC001138877170 1025507630 /nfs/dbraw/zinc/50/76/30/1025507630.db2.gz QOIYRCGXQIADHG-UHFFFAOYSA-N 2 1 380.124 3.578 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c1C ZINC001141564766 1025563405 /nfs/dbraw/zinc/56/34/05/1025563405.db2.gz LLRBUDRHRQTJAU-DLBZAZTESA-N 2 1 376.589 3.571 20 0 GHADMP CCC(=O)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138967324 1025676384 /nfs/dbraw/zinc/67/63/84/1025676384.db2.gz ICNYITDKUHPCNQ-VXKWHMMOSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138967324 1025676391 /nfs/dbraw/zinc/67/63/91/1025676391.db2.gz ICNYITDKUHPCNQ-VXKWHMMOSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138967324 1025676402 /nfs/dbraw/zinc/67/64/02/1025676402.db2.gz ICNYITDKUHPCNQ-VXKWHMMOSA-N 2 1 378.516 3.956 20 0 GHADMP CCC(=O)Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138967324 1025676411 /nfs/dbraw/zinc/67/64/11/1025676411.db2.gz ICNYITDKUHPCNQ-VXKWHMMOSA-N 2 1 378.516 3.956 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Oc3ncccn3)cc2)CC1 ZINC001139078758 1025890614 /nfs/dbraw/zinc/89/06/14/1025890614.db2.gz NATSGMRBYQRGTA-UHFFFAOYSA-N 2 1 375.476 3.711 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001461044931 1069356875 /nfs/dbraw/zinc/35/68/75/1069356875.db2.gz MTYGGSCIUGRRSC-LTFPLMDUSA-N 2 1 379.589 3.732 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[N@H+]1CCC[C@@H](C)C1 ZINC001461044931 1069356887 /nfs/dbraw/zinc/35/68/87/1069356887.db2.gz MTYGGSCIUGRRSC-LTFPLMDUSA-N 2 1 379.589 3.732 20 0 GHADMP C[NH+](C)[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001162902654 1025960467 /nfs/dbraw/zinc/96/04/67/1025960467.db2.gz APAMSZLVRZOQCQ-AFXVXQJMSA-N 2 1 397.607 3.770 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccnc4ncccc34)C3(C2)CC[NH2+]CC3)cc1 ZINC001162941020 1025977905 /nfs/dbraw/zinc/97/79/05/1025977905.db2.gz OYDCWZBFERDZPL-FQEVSTJZSA-N 2 1 387.531 3.544 20 0 GHADMP CCc1cc(NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC001162948222 1025980836 /nfs/dbraw/zinc/98/08/36/1025980836.db2.gz BQFGDCUTCKNDSC-ROUUACIJSA-N 2 1 382.552 3.969 20 0 GHADMP CC[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001461064203 1069370842 /nfs/dbraw/zinc/37/08/42/1069370842.db2.gz AVGLWLMLHSTDRZ-VQTJNVASSA-N 2 1 387.568 3.653 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)C1 ZINC001139335973 1026198000 /nfs/dbraw/zinc/19/80/00/1026198000.db2.gz HJGKQKYTBOZDPO-NRFANRHFSA-N 2 1 396.531 3.785 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4cc(O)ccc4c3)CC2)C1 ZINC001139335973 1026198005 /nfs/dbraw/zinc/19/80/05/1026198005.db2.gz HJGKQKYTBOZDPO-NRFANRHFSA-N 2 1 396.531 3.785 20 0 GHADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC001139361371 1026234649 /nfs/dbraw/zinc/23/46/49/1026234649.db2.gz KLVWNXVIGYNQMS-GLBTYYSXSA-N 2 1 399.579 3.554 20 0 GHADMP CN(CCC[NH+](C)C)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001163598438 1026246446 /nfs/dbraw/zinc/24/64/46/1026246446.db2.gz WBRGKWIINGXSII-UHFFFAOYSA-N 2 1 387.597 3.554 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cn2)C[C@H](C)O1 ZINC001139386514 1026253346 /nfs/dbraw/zinc/25/33/46/1026253346.db2.gz ZRKVHGAKEFRJNI-YUVXSKOASA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cn2)C[C@H](C)O1 ZINC001139386514 1026253357 /nfs/dbraw/zinc/25/33/57/1026253357.db2.gz ZRKVHGAKEFRJNI-YUVXSKOASA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cn2)C[C@H](C)O1 ZINC001139386514 1026253368 /nfs/dbraw/zinc/25/33/68/1026253368.db2.gz ZRKVHGAKEFRJNI-YUVXSKOASA-N 2 1 386.584 3.534 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cn2)C[C@H](C)O1 ZINC001139386514 1026253378 /nfs/dbraw/zinc/25/33/78/1026253378.db2.gz ZRKVHGAKEFRJNI-YUVXSKOASA-N 2 1 386.584 3.534 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC001139421698 1026290711 /nfs/dbraw/zinc/29/07/11/1026290711.db2.gz ZNAXUBAFAKVPII-UHFFFAOYSA-N 2 1 375.520 3.754 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC001141722255 1026339726 /nfs/dbraw/zinc/33/97/26/1026339726.db2.gz WDRCDDUCTUEOCU-JTAQYXEDSA-N 2 1 385.596 3.903 20 0 GHADMP CC(C)[N@@H+](CCCO)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139512480 1026366151 /nfs/dbraw/zinc/36/61/51/1026366151.db2.gz BAQNFXQAOFSAQM-UHFFFAOYSA-N 2 1 381.564 3.602 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139517224 1026374757 /nfs/dbraw/zinc/37/47/57/1026374757.db2.gz STQSVIZLKIFREG-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139517224 1026374767 /nfs/dbraw/zinc/37/47/67/1026374767.db2.gz STQSVIZLKIFREG-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139517224 1026374774 /nfs/dbraw/zinc/37/47/74/1026374774.db2.gz STQSVIZLKIFREG-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)nc3)C2)C1 ZINC001139517224 1026374788 /nfs/dbraw/zinc/37/47/88/1026374788.db2.gz STQSVIZLKIFREG-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c[nH+]c1N1CCOCC1 ZINC001164492112 1026529194 /nfs/dbraw/zinc/52/91/94/1026529194.db2.gz IYLSBPBNVBGBPW-AKIFATBCSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c[nH+]c1N1CCOCC1 ZINC001164492112 1026529204 /nfs/dbraw/zinc/52/92/04/1026529204.db2.gz IYLSBPBNVBGBPW-AKIFATBCSA-N 2 1 392.547 3.549 20 0 GHADMP Cn1c(=O)cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC001139758293 1026596069 /nfs/dbraw/zinc/59/60/69/1026596069.db2.gz KIXBWPYLGYHLFU-UHFFFAOYSA-N 2 1 389.543 3.883 20 0 GHADMP CCC[NH2+][C@@H]1CCc2c(sc(=N)n2-c2ccc([C@H]3CCCC[N@H+]3CC)cn2)C1 ZINC001165106158 1026609753 /nfs/dbraw/zinc/60/97/53/1026609753.db2.gz REEFMWXOBRJMIO-QZTJIDSGSA-N 2 1 399.608 3.817 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC001139880724 1026697778 /nfs/dbraw/zinc/69/77/78/1026697778.db2.gz MQKXFMYEDRDTEI-GIWBLDEGSA-N 2 1 379.552 3.529 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC001139880724 1026697781 /nfs/dbraw/zinc/69/77/81/1026697781.db2.gz MQKXFMYEDRDTEI-GIWBLDEGSA-N 2 1 379.552 3.529 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccccc3C3CC3)CC[C@@H]21 ZINC001139880724 1026697785 /nfs/dbraw/zinc/69/77/85/1026697785.db2.gz MQKXFMYEDRDTEI-GIWBLDEGSA-N 2 1 379.552 3.529 20 0 GHADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cncc5ccccc54)CC3)C2)co1 ZINC001139893555 1026709806 /nfs/dbraw/zinc/70/98/06/1026709806.db2.gz DVBVPJABDFGKOI-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cncc5ccccc54)CC3)C2)co1 ZINC001139893555 1026709811 /nfs/dbraw/zinc/70/98/11/1026709811.db2.gz DVBVPJABDFGKOI-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP Cn1ncc2cc(C[N@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3ccccn3)ccc21 ZINC001139951893 1026756063 /nfs/dbraw/zinc/75/60/63/1026756063.db2.gz RUUGGAUIDUXEJA-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3ccccn3)ccc21 ZINC001139951893 1026756073 /nfs/dbraw/zinc/75/60/73/1026756073.db2.gz RUUGGAUIDUXEJA-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@H+](C)Cc3ccccn3)ccc21 ZINC001139951893 1026756079 /nfs/dbraw/zinc/75/60/79/1026756079.db2.gz RUUGGAUIDUXEJA-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@@H+](C)Cc3ccccn3)ccc21 ZINC001139951893 1026756087 /nfs/dbraw/zinc/75/60/87/1026756087.db2.gz RUUGGAUIDUXEJA-WNOPAQSVSA-N 2 1 389.547 3.701 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4-c4cncnc4)C[C@H]3C2)c1 ZINC001140018360 1026800846 /nfs/dbraw/zinc/80/08/46/1026800846.db2.gz SOCZRSVHQGXOLL-PMACEKPBSA-N 2 1 376.529 3.769 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C)cc1O ZINC001140199784 1026972535 /nfs/dbraw/zinc/97/25/35/1026972535.db2.gz BRLNLOXGISNYNO-UHFFFAOYSA-N 2 1 395.547 3.519 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC001461182473 1069430660 /nfs/dbraw/zinc/43/06/60/1069430660.db2.gz PMCWYGAVBGVWHE-GFCCVEGCSA-N 2 1 377.273 3.790 20 0 GHADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC001461182473 1069430664 /nfs/dbraw/zinc/43/06/64/1069430664.db2.gz PMCWYGAVBGVWHE-GFCCVEGCSA-N 2 1 377.273 3.790 20 0 GHADMP O=C1[C@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000840038166 1027103916 /nfs/dbraw/zinc/10/39/16/1027103916.db2.gz YXDDMZNMIATILC-PKTZIBPZSA-N 2 1 393.575 3.579 20 0 GHADMP O=C1[C@H](C2CC2)[C@H](C2CC2)N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000840038166 1027103927 /nfs/dbraw/zinc/10/39/27/1027103927.db2.gz YXDDMZNMIATILC-PKTZIBPZSA-N 2 1 393.575 3.579 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC001461257635 1069464877 /nfs/dbraw/zinc/46/48/77/1069464877.db2.gz PJHJHZGTPBZVCO-HUUCEWRRSA-N 2 1 383.330 3.573 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001461258368 1069464910 /nfs/dbraw/zinc/46/49/10/1069464910.db2.gz WGBKVSGKMYCDRA-MJGOQNOKSA-N 2 1 391.357 3.906 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC001141925563 1027675538 /nfs/dbraw/zinc/67/55/38/1027675538.db2.gz WHTPPBVPWWGGDQ-RTBURBONSA-N 2 1 377.891 3.501 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC001204051894 1027840330 /nfs/dbraw/zinc/84/03/30/1027840330.db2.gz LXPFNCDNUUKQOR-UHFFFAOYSA-N 2 1 394.515 3.591 20 0 GHADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccnc5ccccc45)CC3)C2)co1 ZINC001204083814 1027857876 /nfs/dbraw/zinc/85/78/76/1027857876.db2.gz YXYXZSORPUJFLJ-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4ccnc5ccccc45)CC3)C2)co1 ZINC001204083814 1027857887 /nfs/dbraw/zinc/85/78/87/1027857887.db2.gz YXYXZSORPUJFLJ-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP C[C@]1(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+](Cc2ccccc2)C1 ZINC000841327412 1028434011 /nfs/dbraw/zinc/43/40/11/1028434011.db2.gz JQGZECKQUWKTNY-HSZRJFAPSA-N 2 1 396.510 3.505 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001142360027 1028742773 /nfs/dbraw/zinc/74/27/73/1028742773.db2.gz WIZYESGQIIHXHA-DNQXCXABSA-N 2 1 379.548 3.757 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001142360027 1028742791 /nfs/dbraw/zinc/74/27/91/1028742791.db2.gz WIZYESGQIIHXHA-DNQXCXABSA-N 2 1 379.548 3.757 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001142360027 1028742807 /nfs/dbraw/zinc/74/28/07/1028742807.db2.gz WIZYESGQIIHXHA-DNQXCXABSA-N 2 1 379.548 3.757 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001214829777 1028928648 /nfs/dbraw/zinc/92/86/48/1028928648.db2.gz ASULZEXORAXEDT-FGZHOGPDSA-N 2 1 384.568 3.853 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559875 1029063549 /nfs/dbraw/zinc/06/35/49/1029063549.db2.gz MUPCWRGVWUGJSP-VXKWHMMOSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559875 1029063564 /nfs/dbraw/zinc/06/35/64/1029063564.db2.gz MUPCWRGVWUGJSP-VXKWHMMOSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559875 1029063581 /nfs/dbraw/zinc/06/35/81/1029063581.db2.gz MUPCWRGVWUGJSP-VXKWHMMOSA-N 2 1 383.580 3.525 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000842766884 1029574811 /nfs/dbraw/zinc/57/48/11/1029574811.db2.gz VZMDFPGCFRELBP-RTWAWAEBSA-N 2 1 387.568 3.569 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000843096089 1029804508 /nfs/dbraw/zinc/80/45/08/1029804508.db2.gz RCWGWNBYTDOWLJ-RDGATRHJSA-N 2 1 390.527 3.620 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843119680 1029815765 /nfs/dbraw/zinc/81/57/65/1029815765.db2.gz BPWMXINTEDHQLJ-UHFFFAOYSA-N 2 1 376.907 3.608 20 0 GHADMP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CCC([NH3+])CC1 ZINC000843354053 1029933880 /nfs/dbraw/zinc/93/38/80/1029933880.db2.gz UWTTWHGJOADJAQ-AOMIVXANSA-N 2 1 385.939 3.747 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364018 1029940681 /nfs/dbraw/zinc/94/06/81/1029940681.db2.gz KQHFXQUIMRGKPS-UONOGXRCSA-N 2 1 384.351 3.635 20 0 GHADMP CCOC(=O)c1nc(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)sc1C ZINC001222119250 1029970568 /nfs/dbraw/zinc/97/05/68/1029970568.db2.gz AYNBDCAQCNBLCJ-UHFFFAOYSA-N 2 1 379.570 3.764 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC001222195419 1029997393 /nfs/dbraw/zinc/99/73/93/1029997393.db2.gz JFUDEABQXRVIHM-UXHICEINSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001222195419 1029997397 /nfs/dbraw/zinc/99/73/97/1029997397.db2.gz JFUDEABQXRVIHM-UXHICEINSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001222195419 1029997406 /nfs/dbraw/zinc/99/74/06/1029997406.db2.gz JFUDEABQXRVIHM-UXHICEINSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC001222195418 1029997782 /nfs/dbraw/zinc/99/77/82/1029997782.db2.gz JFUDEABQXRVIHM-PMACEKPBSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001222195418 1029997787 /nfs/dbraw/zinc/99/77/87/1029997787.db2.gz JFUDEABQXRVIHM-PMACEKPBSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001222195418 1029997794 /nfs/dbraw/zinc/99/77/94/1029997794.db2.gz JFUDEABQXRVIHM-PMACEKPBSA-N 2 1 380.621 3.841 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC000843426752 1029998271 /nfs/dbraw/zinc/99/82/71/1029998271.db2.gz JMGPZKIDISLMRB-NRDMVMEKSA-N 2 1 387.568 3.567 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1sc(-c3ccccc3)nc1C)CC[NH2+]CC2 ZINC001222222127 1030016324 /nfs/dbraw/zinc/01/63/24/1030016324.db2.gz XULMBHKNOGSRLO-GOSISDBHSA-N 2 1 399.560 3.626 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1sc(-c3ccccc3)nc1C)CC[NH2+]CC2 ZINC001222222127 1030016331 /nfs/dbraw/zinc/01/63/31/1030016331.db2.gz XULMBHKNOGSRLO-GOSISDBHSA-N 2 1 399.560 3.626 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cccc(-c3ccccc3)c1)CC[NH2+]CC2 ZINC001222226370 1030019192 /nfs/dbraw/zinc/01/91/92/1030019192.db2.gz RFPGQAQRTAYYND-JOCHJYFZSA-N 2 1 378.516 3.861 20 0 GHADMP Cc1ccc(Br)c(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c1Cl ZINC001222408068 1030112702 /nfs/dbraw/zinc/11/27/02/1030112702.db2.gz XAJPUWVVBQNTPE-UHFFFAOYSA-N 2 1 387.749 3.613 20 0 GHADMP Cc1ccc(Br)c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1Cl ZINC001222408068 1030112714 /nfs/dbraw/zinc/11/27/14/1030112714.db2.gz XAJPUWVVBQNTPE-UHFFFAOYSA-N 2 1 387.749 3.613 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222408089 1030112960 /nfs/dbraw/zinc/11/29/60/1030112960.db2.gz YKGXPKXMIHNMEU-UHFFFAOYSA-N 2 1 381.358 3.775 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001222574293 1030204524 /nfs/dbraw/zinc/20/45/24/1030204524.db2.gz HFLIEOWEKUURGR-HSZRJFAPSA-N 3 1 385.596 3.522 20 0 GHADMP C[C@]([NH3+])(Cc1ccccc1F)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217757248 1030646426 /nfs/dbraw/zinc/64/64/26/1030646426.db2.gz HKYDDDKOVRYFIR-GCJKJVERSA-N 2 1 380.467 3.615 20 0 GHADMP C[C@]([NH3+])(Cc1ccccc1F)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217757248 1030646434 /nfs/dbraw/zinc/64/64/34/1030646434.db2.gz HKYDDDKOVRYFIR-GCJKJVERSA-N 2 1 380.467 3.615 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001151059576 1030760696 /nfs/dbraw/zinc/76/06/96/1030760696.db2.gz PBEYXKUVFKYFFO-DHIUTWEWSA-N 2 1 397.607 3.869 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@H]3CC[NH2+]CC(=O)C3)c2)CC[N@@H+]1C ZINC001218197685 1030819439 /nfs/dbraw/zinc/81/94/39/1030819439.db2.gz ZKXDFEIDVPKKGX-XQUALCHDSA-N 2 1 384.564 3.929 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@H]3CC[NH2+]CC(=O)C3)c2)CC[N@H+]1C ZINC001218197685 1030819465 /nfs/dbraw/zinc/81/94/65/1030819465.db2.gz ZKXDFEIDVPKKGX-XQUALCHDSA-N 2 1 384.564 3.929 20 0 GHADMP C[NH+](C)CC[C@H](OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC001224135607 1030899461 /nfs/dbraw/zinc/89/94/61/1030899461.db2.gz WOCNHBFKIYRLHH-ZEQRLZLVSA-N 2 1 382.548 3.987 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001218337300 1030901321 /nfs/dbraw/zinc/90/13/21/1030901321.db2.gz WRPMTYYRXTXSRI-VOQZNFBZSA-N 2 1 382.504 3.539 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)C1 ZINC001218938617 1031163198 /nfs/dbraw/zinc/16/31/98/1031163198.db2.gz UNQMAOSQVSCMAB-QFIPXVFZSA-N 2 1 377.532 3.534 20 0 GHADMP c1ccc(C[NH+]2CCO[C@H](CO[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224956846 1031191287 /nfs/dbraw/zinc/19/12/87/1031191287.db2.gz SXKOCXWZHVYADD-RPWUZVMVSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCO[C@H](CO[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001224956846 1031191297 /nfs/dbraw/zinc/19/12/97/1031191297.db2.gz SXKOCXWZHVYADD-RPWUZVMVSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224956846 1031191310 /nfs/dbraw/zinc/19/13/10/1031191310.db2.gz SXKOCXWZHVYADD-RPWUZVMVSA-N 2 1 380.532 3.569 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)C2)cc1 ZINC001224956846 1031191317 /nfs/dbraw/zinc/19/13/17/1031191317.db2.gz SXKOCXWZHVYADD-RPWUZVMVSA-N 2 1 380.532 3.569 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1)CC1CC1 ZINC001152338004 1031197348 /nfs/dbraw/zinc/19/73/48/1031197348.db2.gz NXJRKGVMNAIOQS-JOCHJYFZSA-N 2 1 377.617 3.858 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]([NH3+])Cc3ccsc3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046650 1031227660 /nfs/dbraw/zinc/22/76/60/1031227660.db2.gz GEBFJSDKLBGMBJ-CTNGQTDRSA-N 2 1 391.540 3.834 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1)c1ccccc1 ZINC001219787567 1031619808 /nfs/dbraw/zinc/61/98/08/1031619808.db2.gz GWLCSFKXKDGWBT-REWPJTCUSA-N 2 1 396.579 3.577 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N[C@@H]1C[NH2+]Cc2ccsc21)c1ccccc1 ZINC001219824979 1031637223 /nfs/dbraw/zinc/63/72/23/1031637223.db2.gz ANFZTHCYBVZXGU-NHCUHLMSSA-N 2 1 391.540 3.882 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N[C@@H]1C[NH2+]Cc2ccsc21)c1ccccc1 ZINC001219824979 1031637232 /nfs/dbraw/zinc/63/72/32/1031637232.db2.gz ANFZTHCYBVZXGU-NHCUHLMSSA-N 2 1 391.540 3.882 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001219941209 1031708492 /nfs/dbraw/zinc/70/84/92/1031708492.db2.gz REKPOUTUFVFMKZ-OFNKIYASSA-N 2 1 377.532 3.753 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC001153808487 1031753585 /nfs/dbraw/zinc/75/35/85/1031753585.db2.gz OSLZSALUTVXFBN-HSZRJFAPSA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC001153808487 1031753594 /nfs/dbraw/zinc/75/35/94/1031753594.db2.gz OSLZSALUTVXFBN-HSZRJFAPSA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC001153808487 1031753604 /nfs/dbraw/zinc/75/36/04/1031753604.db2.gz OSLZSALUTVXFBN-HSZRJFAPSA-N 2 1 379.548 3.921 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001220194732 1031830029 /nfs/dbraw/zinc/83/00/29/1031830029.db2.gz CZRBGGGVKVRCAJ-UHFFFAOYSA-N 2 1 387.572 3.904 20 0 GHADMP CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CNC(=O)[C@@H]([NH3+])CC[NH3+])CCC[C@]21C ZINC001220298563 1031887003 /nfs/dbraw/zinc/88/70/03/1031887003.db2.gz QCCBKPIBCHUFLW-HIGZBPRKSA-N 2 1 385.596 3.613 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001220481170 1031958255 /nfs/dbraw/zinc/95/82/55/1031958255.db2.gz YPMVSIYREPKCCZ-FQEVSTJZSA-N 2 1 378.605 3.739 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC001220645580 1032042102 /nfs/dbraw/zinc/04/21/02/1032042102.db2.gz WPHLGIWXTOZNTN-HXUWFJFHSA-N 2 1 386.584 3.512 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1F ZINC001205222333 1033312859 /nfs/dbraw/zinc/31/28/59/1033312859.db2.gz GKHQWWSZWWIJBK-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC001461849304 1069790061 /nfs/dbraw/zinc/79/00/61/1069790061.db2.gz HNKDMZNDYYXRDZ-VAMGGRTRSA-N 2 1 379.589 3.830 20 0 GHADMP CCOC(=O)N1CCC(C)(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC001205548409 1033465154 /nfs/dbraw/zinc/46/51/54/1033465154.db2.gz WADUWJUKCJOHLP-UHFFFAOYSA-N 2 1 388.556 3.657 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cc(Br)cc(Br)c2)CC1 ZINC001205558893 1033469557 /nfs/dbraw/zinc/46/95/57/1033469557.db2.gz LEDNIPUBMINSHA-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cc(Br)cc(Br)c2)CC1 ZINC001205558893 1033469563 /nfs/dbraw/zinc/46/95/63/1033469563.db2.gz LEDNIPUBMINSHA-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])CC3)s2)cc1OC ZINC001205628782 1033498838 /nfs/dbraw/zinc/49/88/38/1033498838.db2.gz WPZHFILTXMYSBX-ZBFHGGJFSA-N 2 1 375.538 3.634 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(-n3ccc4c3CC[NH2+]C4)c2c1C ZINC001157449468 1033598947 /nfs/dbraw/zinc/59/89/47/1033598947.db2.gz OSEJGAHQJYAJIS-UHFFFAOYSA-N 2 1 381.549 3.730 20 0 GHADMP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001205902275 1033627386 /nfs/dbraw/zinc/62/73/86/1033627386.db2.gz JMDOEIYYWQOYGX-FYYLOGMGSA-N 3 1 392.591 3.568 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)CCC[C@H]1C[NH3+] ZINC001205996208 1033675894 /nfs/dbraw/zinc/67/58/94/1033675894.db2.gz WAZUMNKKQABHKF-OLZOCXBDSA-N 2 1 386.487 3.974 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(I)c2)CCC[C@@H]1C[NH3+] ZINC001206021644 1033692025 /nfs/dbraw/zinc/69/20/25/1033692025.db2.gz ANXFTUDVFVPJBG-DGCLKSJQSA-N 2 1 392.712 3.751 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(C)c1I ZINC001206036603 1033696085 /nfs/dbraw/zinc/69/60/85/1033696085.db2.gz LWBFGUKJMJFUEC-HOCLYGCPSA-N 2 1 386.321 3.715 20 0 GHADMP [NH3+]CC[C@H]1CN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c2ccccc21 ZINC001157746899 1033750306 /nfs/dbraw/zinc/75/03/06/1033750306.db2.gz PNIAZVGAKFGULK-IBGZPJMESA-N 2 1 385.515 3.619 20 0 GHADMP [NH3+]CC[C@H]1CN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c2ccccc21 ZINC001157746899 1033750324 /nfs/dbraw/zinc/75/03/24/1033750324.db2.gz PNIAZVGAKFGULK-IBGZPJMESA-N 2 1 385.515 3.619 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(CC[NH2+]C)C(C)(C)C)n1 ZINC001157832691 1033785807 /nfs/dbraw/zinc/78/58/07/1033785807.db2.gz AKFKQWPTWUDAAK-UHFFFAOYSA-N 2 1 377.602 3.974 20 0 GHADMP CC(C)N(c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21)[C@@H]1CC[NH2+]C1 ZINC001158035554 1033875855 /nfs/dbraw/zinc/87/58/55/1033875855.db2.gz VCOXOSJDACUDDO-QGZVFWFLSA-N 2 1 395.576 3.997 20 0 GHADMP Cc1cc(I)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1C ZINC001206574143 1033913202 /nfs/dbraw/zinc/91/32/02/1033913202.db2.gz PPTWPKQYZLZGOZ-KRWDZBQOSA-N 2 1 386.321 3.859 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc1C ZINC001206574143 1033913208 /nfs/dbraw/zinc/91/32/08/1033913208.db2.gz PPTWPKQYZLZGOZ-KRWDZBQOSA-N 2 1 386.321 3.859 20 0 GHADMP COC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206734946 1033962926 /nfs/dbraw/zinc/96/29/26/1033962926.db2.gz KOZDLGHXMJSIMQ-QHCPKHFHSA-N 2 1 394.515 3.643 20 0 GHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206734946 1033962932 /nfs/dbraw/zinc/96/29/32/1033962932.db2.gz KOZDLGHXMJSIMQ-QHCPKHFHSA-N 2 1 394.515 3.643 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001206800814 1033988287 /nfs/dbraw/zinc/98/82/87/1033988287.db2.gz OBMLYMKCADWWMO-IXDOHACOSA-N 2 1 389.531 3.683 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC001206811439 1033994540 /nfs/dbraw/zinc/99/45/40/1033994540.db2.gz UPINBEHPICVNCE-PKOBYXMFSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC001206811439 1033994545 /nfs/dbraw/zinc/99/45/45/1033994545.db2.gz UPINBEHPICVNCE-PKOBYXMFSA-N 2 1 384.520 3.842 20 0 GHADMP CCOC(=O)[C@]12CCC[C@@H]1C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC001207102373 1034094043 /nfs/dbraw/zinc/09/40/43/1034094043.db2.gz OIKMNBNQKWLKSE-CKPWDMNVSA-N 2 1 384.564 3.856 20 0 GHADMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001207278922 1034233375 /nfs/dbraw/zinc/23/33/75/1034233375.db2.gz HBOYZGAFZMUYIB-OALUTQOASA-N 2 1 381.605 3.933 20 0 GHADMP CCOC[C@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2nn(CC)cc21 ZINC001207289535 1034240972 /nfs/dbraw/zinc/24/09/72/1034240972.db2.gz QRKFEBAXRZSRPI-JOCHJYFZSA-N 2 1 396.579 3.751 20 0 GHADMP CCOC[C@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)Cc2nn(CC)cc21 ZINC001207289535 1034240976 /nfs/dbraw/zinc/24/09/76/1034240976.db2.gz QRKFEBAXRZSRPI-JOCHJYFZSA-N 2 1 396.579 3.751 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](CC(C)(C)N4CCOCC4)CC3)C2)cc1 ZINC001207301997 1034252910 /nfs/dbraw/zinc/25/29/10/1034252910.db2.gz OZTGJVFZIRKPMR-UHFFFAOYSA-N 2 1 399.623 3.784 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374191 1034317564 /nfs/dbraw/zinc/31/75/64/1034317564.db2.gz FNXAVMWEOFFFLF-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374191 1034317580 /nfs/dbraw/zinc/31/75/80/1034317580.db2.gz FNXAVMWEOFFFLF-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374191 1034317596 /nfs/dbraw/zinc/31/75/96/1034317596.db2.gz FNXAVMWEOFFFLF-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP COc1ccccc1CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001207455637 1034375718 /nfs/dbraw/zinc/37/57/18/1034375718.db2.gz DTSDFWOOBWWDQA-ACIOBRDBSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001207455637 1034375730 /nfs/dbraw/zinc/37/57/30/1034375730.db2.gz DTSDFWOOBWWDQA-ACIOBRDBSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001207455637 1034375756 /nfs/dbraw/zinc/37/57/56/1034375756.db2.gz DTSDFWOOBWWDQA-ACIOBRDBSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccccc1CC[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001207455637 1034375772 /nfs/dbraw/zinc/37/57/72/1034375772.db2.gz DTSDFWOOBWWDQA-ACIOBRDBSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475629 1034387252 /nfs/dbraw/zinc/38/72/52/1034387252.db2.gz IWLFFWSHFFJZDN-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475629 1034387268 /nfs/dbraw/zinc/38/72/68/1034387268.db2.gz IWLFFWSHFFJZDN-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475629 1034387281 /nfs/dbraw/zinc/38/72/81/1034387281.db2.gz IWLFFWSHFFJZDN-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475629 1034387295 /nfs/dbraw/zinc/38/72/95/1034387295.db2.gz IWLFFWSHFFJZDN-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475629 1034387304 /nfs/dbraw/zinc/38/73/04/1034387304.db2.gz IWLFFWSHFFJZDN-ZTCOLXNVSA-N 2 1 379.548 3.865 20 0 GHADMP CCN(C(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC001207563987 1034452111 /nfs/dbraw/zinc/45/21/11/1034452111.db2.gz IYNPNLRXGNXCCL-XJUOHMSHSA-N 2 1 377.532 3.682 20 0 GHADMP CCN(C(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC001207563987 1034452115 /nfs/dbraw/zinc/45/21/15/1034452115.db2.gz IYNPNLRXGNXCCL-XJUOHMSHSA-N 2 1 377.532 3.682 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1Cl ZINC001231423362 1034574743 /nfs/dbraw/zinc/57/47/43/1034574743.db2.gz ZEPDNNYMECXCDZ-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP C[C@H]1C[C@@H](c2ccncc2Nc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]([NH3+])C1 ZINC001159392282 1034577360 /nfs/dbraw/zinc/57/73/60/1034577360.db2.gz XUNNXXYTMVUAAH-SXLOBPIMSA-N 2 1 380.536 3.888 20 0 GHADMP C[NH+](C)[C@H](CNc1nccc(C2CC[NH2+]CC2)n1)c1ccc(Cl)cc1Cl ZINC001159514476 1034629878 /nfs/dbraw/zinc/62/98/78/1034629878.db2.gz BHIFNBOGPIHSIU-GOSISDBHSA-N 2 1 394.350 3.965 20 0 GHADMP COCCCOc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1OC ZINC001231543392 1034697091 /nfs/dbraw/zinc/69/70/91/1034697091.db2.gz NNNDHRLXEGUQRP-NRFANRHFSA-N 2 1 390.568 3.951 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1OC ZINC001231543392 1034697098 /nfs/dbraw/zinc/69/70/98/1034697098.db2.gz NNNDHRLXEGUQRP-NRFANRHFSA-N 2 1 390.568 3.951 20 0 GHADMP c1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4nc5c(s4)CCCC5)CC3)C2)cc1 ZINC001231582415 1034734633 /nfs/dbraw/zinc/73/46/33/1034734633.db2.gz QTFBKMXRFCAMFG-UHFFFAOYSA-N 2 1 397.588 3.889 20 0 GHADMP c1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4nc5c(s4)CCCC5)CC3)C2)cc1 ZINC001231582415 1034734647 /nfs/dbraw/zinc/73/46/47/1034734647.db2.gz QTFBKMXRFCAMFG-UHFFFAOYSA-N 2 1 397.588 3.889 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cc(C[NH+](C)C)ccn2)cc1 ZINC001208158504 1034763953 /nfs/dbraw/zinc/76/39/53/1034763953.db2.gz KNIIPJQKIXLGBQ-GOSISDBHSA-N 2 1 395.551 3.839 20 0 GHADMP Nc1ccccc1N(CC1CC[NH2+]CC1)C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001159888807 1034775810 /nfs/dbraw/zinc/77/58/10/1034775810.db2.gz DQPNTQBKHIUHQK-UHFFFAOYSA-N 2 1 376.548 3.865 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@@H+](CC3(C[NH+](C)C)CCCC3)C1)C2 ZINC001208185339 1034783829 /nfs/dbraw/zinc/78/38/29/1034783829.db2.gz ASVFPWQTFLGYRP-HYBUGGRVSA-N 2 1 384.564 3.704 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4(c5ccccc5)CCOCC4)C[C@@H]3C2)cc1 ZINC001208226688 1034814803 /nfs/dbraw/zinc/81/48/03/1034814803.db2.gz GAEQMDRVRFZRHE-ZRZAMGCNSA-N 2 1 376.544 3.799 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4(c5ccccc5)CCOCC4)C[C@@H]3C2)cc1 ZINC001208226688 1034814814 /nfs/dbraw/zinc/81/48/14/1034814814.db2.gz GAEQMDRVRFZRHE-ZRZAMGCNSA-N 2 1 376.544 3.799 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4(c5ccccc5)CCOCC4)C[C@@H]3C2)cc1 ZINC001208226688 1034814828 /nfs/dbraw/zinc/81/48/28/1034814828.db2.gz GAEQMDRVRFZRHE-ZRZAMGCNSA-N 2 1 376.544 3.799 20 0 GHADMP CC(C)Oc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001231758598 1034889829 /nfs/dbraw/zinc/88/98/29/1034889829.db2.gz RQJQUQIKRHXMJW-UHFFFAOYSA-N 2 1 380.536 3.752 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208588633 1034945071 /nfs/dbraw/zinc/94/50/71/1034945071.db2.gz JWBRQCPJRDRSKL-ZEQRLZLVSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208588633 1034945074 /nfs/dbraw/zinc/94/50/74/1034945074.db2.gz JWBRQCPJRDRSKL-ZEQRLZLVSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208588633 1034945076 /nfs/dbraw/zinc/94/50/76/1034945076.db2.gz JWBRQCPJRDRSKL-ZEQRLZLVSA-N 2 1 385.596 3.616 20 0 GHADMP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC001160426800 1034970589 /nfs/dbraw/zinc/97/05/89/1034970589.db2.gz ZEUSVEITZLKWAN-GOTSBHOMSA-N 2 1 395.522 3.553 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC001160426800 1034970590 /nfs/dbraw/zinc/97/05/90/1034970590.db2.gz ZEUSVEITZLKWAN-GOTSBHOMSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC001160426800 1034970594 /nfs/dbraw/zinc/97/05/94/1034970594.db2.gz ZEUSVEITZLKWAN-GOTSBHOMSA-N 2 1 395.522 3.553 20 0 GHADMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC001160426800 1034970598 /nfs/dbraw/zinc/97/05/98/1034970598.db2.gz ZEUSVEITZLKWAN-GOTSBHOMSA-N 2 1 395.522 3.553 20 0 GHADMP CC1(C)C[NH2+]C[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160683448 1035035082 /nfs/dbraw/zinc/03/50/82/1035035082.db2.gz MMQMCXDLTKQRRI-PKTZIBPZSA-N 2 1 391.559 3.535 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001232002509 1035035753 /nfs/dbraw/zinc/03/57/53/1035035753.db2.gz NNMMHDCZOXJKRO-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP COC[C@@H]1CC[N@H+]1CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001208819479 1035038573 /nfs/dbraw/zinc/03/85/73/1035038573.db2.gz GUGYZEKZEAELKZ-NRFANRHFSA-N 2 1 388.552 3.575 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@@H]2C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]2CF)CC1 ZINC001232011359 1035041958 /nfs/dbraw/zinc/04/19/58/1035041958.db2.gz CFRXBLFLTVYQIJ-DOTOQJQBSA-N 2 1 388.487 3.638 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930776 1035094722 /nfs/dbraw/zinc/09/47/22/1035094722.db2.gz DPSZMZSRBHELOM-MISYRCLQSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930776 1035094727 /nfs/dbraw/zinc/09/47/27/1035094727.db2.gz DPSZMZSRBHELOM-MISYRCLQSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930776 1035094733 /nfs/dbraw/zinc/09/47/33/1035094733.db2.gz DPSZMZSRBHELOM-MISYRCLQSA-N 2 1 384.486 3.924 20 0 GHADMP COc1cccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208934049 1035098152 /nfs/dbraw/zinc/09/81/52/1035098152.db2.gz XVXQAFISYIYLNY-QFIPXVFZSA-N 2 1 379.548 3.729 20 0 GHADMP COc1cccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208934049 1035098159 /nfs/dbraw/zinc/09/81/59/1035098159.db2.gz XVXQAFISYIYLNY-QFIPXVFZSA-N 2 1 379.548 3.729 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208934091 1035098886 /nfs/dbraw/zinc/09/88/86/1035098886.db2.gz HANVYEZUIQTKEH-ODAXIHTASA-N 2 1 395.591 3.525 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208934091 1035098890 /nfs/dbraw/zinc/09/88/90/1035098890.db2.gz HANVYEZUIQTKEH-ODAXIHTASA-N 2 1 395.591 3.525 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208934091 1035098899 /nfs/dbraw/zinc/09/88/99/1035098899.db2.gz HANVYEZUIQTKEH-ODAXIHTASA-N 2 1 395.591 3.525 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936192 1035103372 /nfs/dbraw/zinc/10/33/72/1035103372.db2.gz NRUZQVNYAAOMJU-JWQCQUIFSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208936192 1035103377 /nfs/dbraw/zinc/10/33/77/1035103377.db2.gz NRUZQVNYAAOMJU-JWQCQUIFSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208936192 1035103380 /nfs/dbraw/zinc/10/33/80/1035103380.db2.gz NRUZQVNYAAOMJU-JWQCQUIFSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936195 1035103713 /nfs/dbraw/zinc/10/37/13/1035103713.db2.gz NRUZQVNYAAOMJU-RPBOFIJWSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208936195 1035103715 /nfs/dbraw/zinc/10/37/15/1035103715.db2.gz NRUZQVNYAAOMJU-RPBOFIJWSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208936195 1035103718 /nfs/dbraw/zinc/10/37/18/1035103718.db2.gz NRUZQVNYAAOMJU-RPBOFIJWSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936227 1035103823 /nfs/dbraw/zinc/10/38/23/1035103823.db2.gz NZCFUZWCAZBJKW-CMOCDZPBSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936227 1035103828 /nfs/dbraw/zinc/10/38/28/1035103828.db2.gz NZCFUZWCAZBJKW-CMOCDZPBSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936227 1035103831 /nfs/dbraw/zinc/10/38/31/1035103831.db2.gz NZCFUZWCAZBJKW-CMOCDZPBSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941602 1035109191 /nfs/dbraw/zinc/10/91/91/1035109191.db2.gz MRBBLHAVFGLFFP-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941602 1035109195 /nfs/dbraw/zinc/10/91/95/1035109195.db2.gz MRBBLHAVFGLFFP-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC001208941602 1035109200 /nfs/dbraw/zinc/10/92/00/1035109200.db2.gz MRBBLHAVFGLFFP-BHDDXSALSA-N 2 1 399.579 3.840 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947098 1035117212 /nfs/dbraw/zinc/11/72/12/1035117212.db2.gz YXIWEICZRNQFEP-GGAORHGYSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947098 1035117216 /nfs/dbraw/zinc/11/72/16/1035117216.db2.gz YXIWEICZRNQFEP-GGAORHGYSA-N 2 1 389.543 3.629 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947098 1035117218 /nfs/dbraw/zinc/11/72/18/1035117218.db2.gz YXIWEICZRNQFEP-GGAORHGYSA-N 2 1 389.543 3.629 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208950029 1035120616 /nfs/dbraw/zinc/12/06/16/1035120616.db2.gz PHYZBRARGMOWDP-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP O=C1OC2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001208950172 1035122237 /nfs/dbraw/zinc/12/22/37/1035122237.db2.gz QRNRZRNJRLKCOK-HXUWFJFHSA-N 2 1 376.500 3.670 20 0 GHADMP O=C(NC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccc(F)c1 ZINC001208951775 1035123147 /nfs/dbraw/zinc/12/31/47/1035123147.db2.gz BMTZMOXTIRBNBM-FQEVSTJZSA-N 2 1 395.522 3.542 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)[C@H]2C ZINC001232147575 1035125476 /nfs/dbraw/zinc/12/54/76/1035125476.db2.gz CJXAJXVCQJSDCB-KRWDZBQOSA-N 2 1 387.547 3.501 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952782 1035126031 /nfs/dbraw/zinc/12/60/31/1035126031.db2.gz LKRRMZMNWHWGSZ-JWQCQUIFSA-N 2 1 377.576 3.962 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cc(F)cc(C[NH+](C)C)c2)O1 ZINC001232148849 1035127640 /nfs/dbraw/zinc/12/76/40/1035127640.db2.gz LBUWXRISHNEWHZ-YPAWHYETSA-N 2 1 378.532 3.682 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001232149650 1035127728 /nfs/dbraw/zinc/12/77/28/1035127728.db2.gz NPOGFUVTPIHHMH-PKTZIBPZSA-N 2 1 381.539 3.841 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208956577 1035129923 /nfs/dbraw/zinc/12/99/23/1035129923.db2.gz BQTLZUIDBPOMDP-OFNKIYASSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208956577 1035129930 /nfs/dbraw/zinc/12/99/30/1035129930.db2.gz BQTLZUIDBPOMDP-OFNKIYASSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]1(C)CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208956577 1035129934 /nfs/dbraw/zinc/12/99/34/1035129934.db2.gz BQTLZUIDBPOMDP-OFNKIYASSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@@H](C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001161218305 1035183816 /nfs/dbraw/zinc/18/38/16/1035183816.db2.gz PBZNMVXGNQFXPC-FQEVSTJZSA-N 2 1 383.580 3.596 20 0 GHADMP C[C@@H](C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC001161218305 1035183817 /nfs/dbraw/zinc/18/38/17/1035183817.db2.gz PBZNMVXGNQFXPC-FQEVSTJZSA-N 2 1 383.580 3.596 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](CC3COC(C)(C)OC3)C[C@@H]21 ZINC001209195108 1035206193 /nfs/dbraw/zinc/20/61/93/1035206193.db2.gz CALRRXAHSPWOFW-YSIASYRMSA-N 2 1 378.582 3.680 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CCCCCc1ccccc1)CCC2 ZINC001209230757 1035213742 /nfs/dbraw/zinc/21/37/42/1035213742.db2.gz UMDMBLSZQMRMFX-UHFFFAOYSA-N 2 1 396.579 3.704 20 0 GHADMP c1cn(C2CCCC2)c2nc[nH+]c(NC3(Cc4ccccn4)CC[NH2+]CC3)c12 ZINC001161495203 1035241343 /nfs/dbraw/zinc/24/13/43/1035241343.db2.gz FVQLSEVELLXKRS-UHFFFAOYSA-N 2 1 376.508 3.718 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367378 1035255903 /nfs/dbraw/zinc/25/59/03/1035255903.db2.gz MLWJJXJLQXLFNA-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367378 1035255905 /nfs/dbraw/zinc/25/59/05/1035255905.db2.gz MLWJJXJLQXLFNA-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001209367378 1035255909 /nfs/dbraw/zinc/25/59/09/1035255909.db2.gz MLWJJXJLQXLFNA-SFTDATJTSA-N 2 1 387.568 3.745 20 0 GHADMP C[C@@H]1CC(C[N@@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001209379028 1035261723 /nfs/dbraw/zinc/26/17/23/1035261723.db2.gz GRKIOSXEJYZXSO-DBXWQHBBSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1CC(C[N@H+]2CCC(F)(F)[C@]3(CC[NH+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001209379028 1035261725 /nfs/dbraw/zinc/26/17/25/1035261725.db2.gz GRKIOSXEJYZXSO-DBXWQHBBSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001209379028 1035261731 /nfs/dbraw/zinc/26/17/31/1035261731.db2.gz GRKIOSXEJYZXSO-DBXWQHBBSA-N 2 1 393.522 3.818 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)C[C@@H](C)O1 ZINC001209379028 1035261734 /nfs/dbraw/zinc/26/17/34/1035261734.db2.gz GRKIOSXEJYZXSO-DBXWQHBBSA-N 2 1 393.522 3.818 20 0 GHADMP [NH3+]CC1(CC(=O)N2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCCCC1 ZINC001161575704 1035261898 /nfs/dbraw/zinc/26/18/98/1035261898.db2.gz MVNIPXBGBIRGSN-FGZHOGPDSA-N 2 1 383.580 3.656 20 0 GHADMP CC[C@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459871 1035279716 /nfs/dbraw/zinc/27/97/16/1035279716.db2.gz APEPKRTYDAKOJI-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459871 1035279722 /nfs/dbraw/zinc/27/97/22/1035279722.db2.gz APEPKRTYDAKOJI-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459871 1035279726 /nfs/dbraw/zinc/27/97/26/1035279726.db2.gz APEPKRTYDAKOJI-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459871 1035279732 /nfs/dbraw/zinc/27/97/32/1035279732.db2.gz APEPKRTYDAKOJI-OFNKIYASSA-N 2 1 387.568 3.888 20 0 GHADMP Cc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c2c1 ZINC001209495040 1035292406 /nfs/dbraw/zinc/29/24/06/1035292406.db2.gz LELLTFNEIOOLLN-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP Cc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c2c1 ZINC001209495040 1035292409 /nfs/dbraw/zinc/29/24/09/1035292409.db2.gz LELLTFNEIOOLLN-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP c1nc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc2c1OCCC2 ZINC001209509370 1035296867 /nfs/dbraw/zinc/29/68/67/1035296867.db2.gz BYCFYNMWXZQONM-LNGMVNIQSA-N 2 1 379.548 3.802 20 0 GHADMP Cc1ccc(C[NH+]2CCCC2)cc1-c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001241880099 1035740241 /nfs/dbraw/zinc/74/02/41/1035740241.db2.gz UFLYPAKJIDNZET-UHFFFAOYSA-N 2 1 377.532 3.645 20 0 GHADMP [NH3+]C1CC2(C1)CC(c1nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no1)C2 ZINC001248325282 1035753846 /nfs/dbraw/zinc/75/38/46/1035753846.db2.gz AYBMMGBXKVWIKL-GHRSKHFYSA-N 2 1 379.439 3.593 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCC[C@@H]1C=CCC1 ZINC001248386017 1035797117 /nfs/dbraw/zinc/79/71/17/1035797117.db2.gz BAQZRTUPFBPZAR-HXUWFJFHSA-N 2 1 390.616 3.571 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC001248628134 1036005304 /nfs/dbraw/zinc/00/53/04/1036005304.db2.gz CGJCQZBRUIXZMK-LJQANCHMSA-N 2 1 397.007 3.952 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1OC ZINC001248755468 1036113082 /nfs/dbraw/zinc/11/30/82/1036113082.db2.gz LBMMLQZFFOSNHP-UHFFFAOYSA-N 2 1 399.510 3.726 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(C4=CC[C@H]([NH+]5CCOCC5)CC4)ccc3C2)cc1 ZINC001245420086 1036915657 /nfs/dbraw/zinc/91/56/57/1036915657.db2.gz SAVIUIQPHDGORL-QHCPKHFHSA-N 2 1 389.543 3.908 20 0 GHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(-c3ccc4c[nH+]cn4c3)c2c1C ZINC001245898772 1037046901 /nfs/dbraw/zinc/04/69/01/1037046901.db2.gz VNNJSKVTFVBWFQ-UHFFFAOYSA-N 2 1 395.488 3.553 20 0 GHADMP C[C@@](O)(C[NH2+]C1(c2ccc(Br)cc2)CC[NH2+]CC1)c1ccccc1 ZINC001245982487 1037107775 /nfs/dbraw/zinc/10/77/75/1037107775.db2.gz PKLGPXODQUGQIC-LJQANCHMSA-N 2 1 389.337 3.525 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1F ZINC001245999545 1037120857 /nfs/dbraw/zinc/12/08/57/1037120857.db2.gz KRBIPUDBWMQREX-FDFHNCONSA-N 2 1 392.465 3.856 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1F ZINC001245999542 1037121169 /nfs/dbraw/zinc/12/11/69/1037121169.db2.gz KRBIPUDBWMQREX-BHDDXSALSA-N 2 1 392.465 3.856 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC001246007546 1037126833 /nfs/dbraw/zinc/12/68/33/1037126833.db2.gz WAJFDIVCFDGQBF-RBUKOAKNSA-N 2 1 380.866 3.518 20 0 GHADMP C[C@](O)(C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246023540 1037140401 /nfs/dbraw/zinc/14/04/01/1037140401.db2.gz CUVZDANIQFWQDX-ZEQRLZLVSA-N 2 1 394.559 3.698 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246023107 1037140492 /nfs/dbraw/zinc/14/04/92/1037140492.db2.gz LRRQKMBSHNHFNW-FCHUYYIVSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246023107 1037140504 /nfs/dbraw/zinc/14/05/04/1037140504.db2.gz LRRQKMBSHNHFNW-FCHUYYIVSA-N 2 1 394.987 3.504 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001246042788 1037157181 /nfs/dbraw/zinc/15/71/81/1037157181.db2.gz DOVDUFRSDPGLBB-BJKOFHAPSA-N 2 1 396.481 3.898 20 0 GHADMP CC(C)Oc1ccccc1OC[C@H](O)C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246056127 1037167375 /nfs/dbraw/zinc/16/73/75/1037167375.db2.gz QNDKGRZOFJHDGO-NJDAHSKKSA-N 2 1 390.568 3.586 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@H](O)COCc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246063739 1037176099 /nfs/dbraw/zinc/17/60/99/1037176099.db2.gz CBJXFHHOWOUYPV-HJOGWXRNSA-N 2 1 382.548 3.645 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001462172402 1070052153 /nfs/dbraw/zinc/05/21/53/1070052153.db2.gz ARNKBZXLQJWITJ-FQEVSTJZSA-N 2 1 387.568 3.793 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@@H](O)COc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246069885 1037186406 /nfs/dbraw/zinc/18/64/06/1037186406.db2.gz YVPXINDLYCEFKK-YPAWHYETSA-N 2 1 386.511 3.646 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246070894 1037186581 /nfs/dbraw/zinc/18/65/81/1037186581.db2.gz QDKCJLKPBAGZLV-DNVJHFABSA-N 2 1 382.548 3.815 20 0 GHADMP CC1(CN[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246093582 1037194189 /nfs/dbraw/zinc/19/41/89/1037194189.db2.gz JNXYLKQGJRACRN-BFLUCZKCSA-N 2 1 389.587 3.951 20 0 GHADMP CC1(C[NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246093582 1037194206 /nfs/dbraw/zinc/19/42/06/1037194206.db2.gz JNXYLKQGJRACRN-BFLUCZKCSA-N 3 1 389.587 3.951 20 0 GHADMP CC1(C[NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246093582 1037194220 /nfs/dbraw/zinc/19/42/20/1037194220.db2.gz JNXYLKQGJRACRN-BFLUCZKCSA-N 3 1 389.587 3.951 20 0 GHADMP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123198 1037203389 /nfs/dbraw/zinc/20/33/89/1037203389.db2.gz UFUDQJYOPUGOHX-FYYLOGMGSA-N 3 1 387.612 3.529 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]CCC4C[NH2+]C4)C[C@@H]23)cc1 ZINC001246185852 1037227845 /nfs/dbraw/zinc/22/78/45/1037227845.db2.gz CUJQTJWRHDYTBU-JIMJEQGWSA-N 3 1 389.587 3.951 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246357016 1037316630 /nfs/dbraw/zinc/31/66/30/1037316630.db2.gz SEGIVPZWIFDJKV-CEMLEFRQSA-N 2 1 384.495 3.864 20 0 GHADMP CC1(C)C[C@H]([NH2+]CC2CCN(Cc3ccccc3Br)CC2)CC[NH2+]1 ZINC001246369911 1037328243 /nfs/dbraw/zinc/32/82/43/1037328243.db2.gz VXUMSNNEZNYBJY-GOSISDBHSA-N 2 1 394.401 3.781 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@H](CC(=O)OC)c2cccc(Br)c2)C[C@H](CC)[NH2+]1 ZINC001246378311 1037334319 /nfs/dbraw/zinc/33/43/19/1037334319.db2.gz WEBAVSVVZKBPRY-XMTFNYHQSA-N 2 1 397.357 3.952 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)cc1 ZINC001246378499 1037337288 /nfs/dbraw/zinc/33/72/88/1037337288.db2.gz RTCAIIYSEOZAHJ-MRXNPFEDSA-N 2 1 386.923 3.926 20 0 GHADMP Fc1cccc(CC2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC[NH2+]CC2)c1 ZINC001246379024 1037337378 /nfs/dbraw/zinc/33/73/78/1037337378.db2.gz JEKOINJMHKQBSF-UHFFFAOYSA-N 3 1 395.566 3.992 20 0 GHADMP Clc1ccccc1CC1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246388897 1037350156 /nfs/dbraw/zinc/35/01/56/1037350156.db2.gz HNYGWAFKLLBMPI-OAQYLSRUSA-N 2 1 383.967 3.869 20 0 GHADMP Clc1ccccc1CC1([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246388897 1037350175 /nfs/dbraw/zinc/35/01/75/1037350175.db2.gz HNYGWAFKLLBMPI-OAQYLSRUSA-N 2 1 383.967 3.869 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CC2(c3cccc(F)c3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246398004 1037357137 /nfs/dbraw/zinc/35/71/37/1037357137.db2.gz URDLLFLBPLEQCI-JTHBVZDNSA-N 3 1 399.529 3.977 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)C[NH2+]1 ZINC001246410647 1037365645 /nfs/dbraw/zinc/36/56/45/1037365645.db2.gz ILVZVOTYNDAUTN-QAPCUYQASA-N 2 1 381.358 3.519 20 0 GHADMP FC(F)(F)c1ccc(C2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246419021 1037375377 /nfs/dbraw/zinc/37/53/77/1037375377.db2.gz BVVWAOJWSFZJEK-RTBURBONSA-N 2 1 381.486 3.796 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3C(F)(F)F)CC[NH2+]CC1)C2 ZINC001246421916 1037378260 /nfs/dbraw/zinc/37/82/60/1037378260.db2.gz GLIBFFGXWPLIFB-NNZMDNLPSA-N 3 1 395.513 3.932 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccccc3C(F)(F)F)CC[NH2+]CC1)C2 ZINC001246421916 1037378274 /nfs/dbraw/zinc/37/82/74/1037378274.db2.gz GLIBFFGXWPLIFB-NNZMDNLPSA-N 2 1 395.513 3.932 20 0 GHADMP FC(F)(F)c1cccc(C2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)c1 ZINC001246428894 1037388667 /nfs/dbraw/zinc/38/86/67/1037388667.db2.gz CVVWGOUGTIBDNE-SFHVURJKSA-N 2 1 381.486 3.796 20 0 GHADMP FC(F)(F)c1cccc(C2(N[C@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)c1 ZINC001246428894 1037388678 /nfs/dbraw/zinc/38/86/78/1037388678.db2.gz CVVWGOUGTIBDNE-SFHVURJKSA-N 2 1 381.486 3.796 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([NH2+]C2(c3ccccc3F)CC[NH2+]CC2)CC1 ZINC001246430123 1037388810 /nfs/dbraw/zinc/38/88/10/1037388810.db2.gz PCHMKTLNCCJCCJ-UHFFFAOYSA-N 2 1 376.516 3.895 20 0 GHADMP C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)C[NH2+]1 ZINC001246440606 1037401859 /nfs/dbraw/zinc/40/18/59/1037401859.db2.gz IQUBASPSXWTSDS-NVXWUHKLSA-N 2 1 381.358 3.519 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)C1 ZINC001246443330 1037406632 /nfs/dbraw/zinc/40/66/32/1037406632.db2.gz BOEYTVQIRFSRBD-CABCVRRESA-N 2 1 384.442 3.606 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001246506031 1037445864 /nfs/dbraw/zinc/44/58/64/1037445864.db2.gz TUPDDJIQVQSPNM-IBGZPJMESA-N 2 1 395.975 3.738 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCC(O)(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246523113 1037454834 /nfs/dbraw/zinc/45/48/34/1037454834.db2.gz VVRWRJXOXNONPA-GMAHTHKFSA-N 2 1 382.523 3.997 20 0 GHADMP C[C@@H]1C[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CCC[C@@H]1C[NH3+] ZINC001246561754 1037479597 /nfs/dbraw/zinc/47/95/97/1037479597.db2.gz LJFRIHYEDWHZBG-GMISPTPDSA-N 2 1 383.580 3.624 20 0 GHADMP COc1cc(C[C@H](C)[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc(OC)c1OC ZINC001246610164 1037503875 /nfs/dbraw/zinc/50/38/75/1037503875.db2.gz PUQJZWPMWUROSJ-MBSDFSHPSA-N 2 1 390.568 3.889 20 0 GHADMP COc1ccc(Cl)c2c1C[C@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246618582 1037510302 /nfs/dbraw/zinc/51/03/02/1037510302.db2.gz HMKBNWDKJNCIEQ-XLIONFOSSA-N 2 1 382.935 3.895 20 0 GHADMP C[C@@H](Cc1ccccn1)[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622306 1037513376 /nfs/dbraw/zinc/51/33/76/1037513376.db2.gz YPEWEMZDKZWXOP-REWPJTCUSA-N 2 1 379.548 3.816 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3c(C)cccc3C1)CC2 ZINC001246632182 1037517492 /nfs/dbraw/zinc/51/74/92/1037517492.db2.gz UPDIZLMRTLIUNK-NRFANRHFSA-N 2 1 376.544 3.998 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1CCc3cccc(F)c3C1)CC2 ZINC001246632693 1037517970 /nfs/dbraw/zinc/51/79/70/1037517970.db2.gz ZCDNAUDVNWROGL-IBGZPJMESA-N 2 1 380.507 3.829 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)C2)cc1 ZINC001246673591 1037539131 /nfs/dbraw/zinc/53/91/31/1037539131.db2.gz PTDQJNNBYICDJX-SDHOMARFSA-N 2 1 375.560 3.514 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CC2 ZINC001246686711 1037549004 /nfs/dbraw/zinc/54/90/04/1037549004.db2.gz SKIXWVAOVCSGMQ-GRIIQZBCSA-N 2 1 382.548 3.578 20 0 GHADMP COc1ccc2cc(CC[C@@H](C)[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)ccc2c1 ZINC001246687131 1037549188 /nfs/dbraw/zinc/54/91/88/1037549188.db2.gz VIMDOQGMQYDLFN-JLEAQPBLSA-N 2 1 380.532 3.622 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+]([C@@H]2CCC[C@@]4(CC[NH2+]C4)C2)CC3)c1 ZINC001246696650 1037552501 /nfs/dbraw/zinc/55/25/01/1037552501.db2.gz RYBVHIABZSPMTM-AUSIDOKSSA-N 2 1 380.511 3.606 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)C[C@H](CC)[NH2+]1 ZINC001246696352 1037552783 /nfs/dbraw/zinc/55/27/83/1037552783.db2.gz LSIDDFCUGCAUES-DZFIZOCASA-N 2 1 380.374 3.880 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246707537 1037561012 /nfs/dbraw/zinc/56/10/12/1037561012.db2.gz BHLYSBJAWULHOE-URLVKDPJSA-N 2 1 387.568 3.641 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](C2C[C@H]4CC[C@@H](C2)[NH2+]4)CC3)c1 ZINC001246711184 1037563691 /nfs/dbraw/zinc/56/36/91/1037563691.db2.gz ACBJQUORXUGEHX-CBQGHPETSA-N 3 1 383.580 3.656 20 0 GHADMP CC[C@@H]1[N@H+]([C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246727754 1037578158 /nfs/dbraw/zinc/57/81/58/1037578158.db2.gz WDYLTUNNVKCPDV-NVJIOZQYSA-N 2 1 375.601 3.799 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CC[NH2+]1 ZINC001246743328 1037586208 /nfs/dbraw/zinc/58/62/08/1037586208.db2.gz GBFSCJBSEVVBIR-NXWNEQKCSA-N 2 1 391.531 3.534 20 0 GHADMP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246756119 1037598235 /nfs/dbraw/zinc/59/82/35/1037598235.db2.gz VPPIVCDHRGCCFY-UPVQGACJSA-N 2 1 391.563 3.530 20 0 GHADMP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2 ZINC001246756122 1037598884 /nfs/dbraw/zinc/59/88/84/1037598884.db2.gz VPPIVCDHRGCCFY-VWNXMTODSA-N 2 1 391.563 3.530 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246757708 1037599099 /nfs/dbraw/zinc/59/90/99/1037599099.db2.gz MPXGIBWICHPNHE-STRKUORWSA-N 2 1 399.535 3.584 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246757708 1037599121 /nfs/dbraw/zinc/59/91/21/1037599121.db2.gz MPXGIBWICHPNHE-STRKUORWSA-N 2 1 399.535 3.584 20 0 GHADMP Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+]([C@@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246756115 1037599509 /nfs/dbraw/zinc/59/95/09/1037599509.db2.gz VPPIVCDHRGCCFY-ISKFKSNPSA-N 2 1 391.563 3.530 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246776536 1037618118 /nfs/dbraw/zinc/61/81/18/1037618118.db2.gz NZGFHAVZXHOCAC-XMSQKQJNSA-N 3 1 384.955 3.933 20 0 GHADMP COC(=O)c1ccc(OC2CC[NH+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)cc1 ZINC001246789534 1037627675 /nfs/dbraw/zinc/62/76/75/1037627675.db2.gz VGTYKUNSCLXCAG-REWPJTCUSA-N 2 1 394.515 3.810 20 0 GHADMP Fc1ccccc1[C@H]1C[NH2+]CCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246797225 1037635515 /nfs/dbraw/zinc/63/55/15/1037635515.db2.gz OQXXDZFPERUCTE-OOICKAIWSA-N 2 1 379.523 3.968 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246802842 1037636167 /nfs/dbraw/zinc/63/61/67/1037636167.db2.gz XIPBCFPZFLEVBV-ZCYQVOJMSA-N 2 1 377.576 3.946 20 0 GHADMP Brc1cccc([C@@H]2CN([C@@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]2)c1 ZINC001246806985 1037639839 /nfs/dbraw/zinc/63/98/39/1037639839.db2.gz PSBWXROGIZZWAK-UXHICEINSA-N 2 1 392.385 3.802 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)CC[NH2+]2)cc1 ZINC001246805614 1037639917 /nfs/dbraw/zinc/63/99/17/1037639917.db2.gz KLULTRZVEOXQBC-VPBXCIAMSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CC[NH2+]2)cc1 ZINC001246805614 1037639923 /nfs/dbraw/zinc/63/99/23/1037639923.db2.gz KLULTRZVEOXQBC-VPBXCIAMSA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4CCN(Cc5ccccc5)[C@H]4C3)CC[NH2+]2)cc1 ZINC001246805614 1037639927 /nfs/dbraw/zinc/63/99/27/1037639927.db2.gz KLULTRZVEOXQBC-VPBXCIAMSA-N 2 1 375.560 3.556 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)CC[NH2+]1 ZINC001246839869 1037669046 /nfs/dbraw/zinc/66/90/46/1037669046.db2.gz ZSBZHBYZZVABEV-NCYKPQTJSA-N 2 1 385.552 3.639 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001246862085 1037683068 /nfs/dbraw/zinc/68/30/68/1037683068.db2.gz PWFFFUOEOIIOHN-LJQANCHMSA-N 2 1 392.543 3.931 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246917207 1037722888 /nfs/dbraw/zinc/72/28/88/1037722888.db2.gz WOJGVVAZDCMBTM-HSALFYBXSA-N 2 1 376.516 3.890 20 0 GHADMP CC1(C)C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246929841 1037734007 /nfs/dbraw/zinc/73/40/07/1037734007.db2.gz HATLRQBWEGCUOA-DHIUTWEWSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC001246929874 1037734369 /nfs/dbraw/zinc/73/43/69/1037734369.db2.gz IDJLTLAAYRICQC-KZTDQWPFSA-N 2 1 391.559 3.819 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CCO1 ZINC001246936939 1037742771 /nfs/dbraw/zinc/74/27/71/1037742771.db2.gz KOLDCJVBUUVJIV-RTBURBONSA-N 2 1 381.358 3.961 20 0 GHADMP O=C1C[C@@H]([N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246945884 1037750238 /nfs/dbraw/zinc/75/02/38/1037750238.db2.gz YISHCYKRORHLFU-QHCPKHFHSA-N 2 1 395.522 3.571 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CCN1 ZINC001246949593 1037752832 /nfs/dbraw/zinc/75/28/32/1037752832.db2.gz AQMDXECQWSXPJN-WBVHZDCISA-N 2 1 375.866 3.577 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CCN1 ZINC001246949593 1037752853 /nfs/dbraw/zinc/75/28/53/1037752853.db2.gz AQMDXECQWSXPJN-WBVHZDCISA-N 2 1 375.866 3.577 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001246953184 1037758243 /nfs/dbraw/zinc/75/82/43/1037758243.db2.gz MLTMOBKOCRQKGI-UHFFFAOYSA-N 2 1 375.557 3.660 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)C1 ZINC001246955587 1037765568 /nfs/dbraw/zinc/76/55/68/1037765568.db2.gz LJACTTDIVYKFEM-FXAWDEMLSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C2CC[NH2+]CC2)c1 ZINC001246956851 1037766819 /nfs/dbraw/zinc/76/68/19/1037766819.db2.gz HMQAUKLBDHIFQM-HXUWFJFHSA-N 2 1 398.934 3.848 20 0 GHADMP CC1(C)C[C@H](N(Cc2ccncc2)[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246957724 1037771139 /nfs/dbraw/zinc/77/11/39/1037771139.db2.gz CLZWLHOENAGINL-DHIUTWEWSA-N 2 1 378.564 3.689 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)CC1 ZINC001246964709 1037788382 /nfs/dbraw/zinc/78/83/82/1037788382.db2.gz MSZCSRNOXREELN-FXAWDEMLSA-N 2 1 376.516 3.810 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1)CO2 ZINC001246966194 1037790059 /nfs/dbraw/zinc/79/00/59/1037790059.db2.gz VJLAPIYJBOPXEK-FQEVSTJZSA-N 2 1 384.495 3.700 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](Cc1cc(F)ccc1C)C1CC[NH2+]CC1)CO2 ZINC001246966194 1037790078 /nfs/dbraw/zinc/79/00/78/1037790078.db2.gz VJLAPIYJBOPXEK-FQEVSTJZSA-N 2 1 384.495 3.700 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+]([C@@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C2)cc1 ZINC001246974904 1037801733 /nfs/dbraw/zinc/80/17/33/1037801733.db2.gz SOMROGPEJWKHOM-IIZPIQPGSA-N 2 1 387.568 3.589 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CC[NH2+]C(C)(C)C2)CC1 ZINC001247008267 1037832311 /nfs/dbraw/zinc/83/23/11/1037832311.db2.gz GBMVJLMMQZMHJT-MAUKXSAKSA-N 2 1 380.374 3.658 20 0 GHADMP Clc1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001232281299 1038014497 /nfs/dbraw/zinc/01/44/97/1038014497.db2.gz GJELWJCDNGDOBR-VQIMIIECSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001232281299 1038014521 /nfs/dbraw/zinc/01/45/21/1038014521.db2.gz GJELWJCDNGDOBR-VQIMIIECSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001232281299 1038014540 /nfs/dbraw/zinc/01/45/40/1038014540.db2.gz GJELWJCDNGDOBR-VQIMIIECSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001232281299 1038014561 /nfs/dbraw/zinc/01/45/61/1038014561.db2.gz GJELWJCDNGDOBR-VQIMIIECSA-N 2 1 377.941 3.519 20 0 GHADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432693 1038212788 /nfs/dbraw/zinc/21/27/88/1038212788.db2.gz GNIUNMIOMCJBBP-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432693 1038212799 /nfs/dbraw/zinc/21/27/99/1038212799.db2.gz GNIUNMIOMCJBBP-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432693 1038212812 /nfs/dbraw/zinc/21/28/12/1038212812.db2.gz GNIUNMIOMCJBBP-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CCCN4C(=O)OC(C)(C)C)C2)C1 ZINC001232432693 1038212826 /nfs/dbraw/zinc/21/28/26/1038212826.db2.gz GNIUNMIOMCJBBP-HSZRJFAPSA-N 2 1 385.552 3.902 20 0 GHADMP CC1(C)C[NH2+][C@](C)(c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)C1 ZINC001247789112 1038382775 /nfs/dbraw/zinc/38/27/75/1038382775.db2.gz XGSVPYYKENROPP-UTKZUKDTSA-N 2 1 381.455 3.843 20 0 GHADMP Clc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(Cl)c1 ZINC001247907491 1038480368 /nfs/dbraw/zinc/48/03/68/1038480368.db2.gz SUNAGQIAEWSHFV-GFCCVEGCSA-N 2 1 381.307 3.975 20 0 GHADMP FC(F)(F)c1ccccc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247908011 1038482009 /nfs/dbraw/zinc/48/20/09/1038482009.db2.gz MVIMABNRNCILBX-UHFFFAOYSA-N 2 1 380.414 3.687 20 0 GHADMP Cc1ccc(C(F)(F)F)cc1-c1noc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001247909203 1038485723 /nfs/dbraw/zinc/48/57/23/1038485723.db2.gz JJIPRQKLZHUUNX-UHFFFAOYSA-N 2 1 394.441 3.995 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001232708573 1038506871 /nfs/dbraw/zinc/50/68/71/1038506871.db2.gz OUDHLXRTGZFXOW-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001232708573 1038506879 /nfs/dbraw/zinc/50/68/79/1038506879.db2.gz OUDHLXRTGZFXOW-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001232708573 1038506889 /nfs/dbraw/zinc/50/68/89/1038506889.db2.gz OUDHLXRTGZFXOW-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c[nH]c21 ZINC001232708573 1038506898 /nfs/dbraw/zinc/50/68/98/1038506898.db2.gz OUDHLXRTGZFXOW-BGYRXZFFSA-N 2 1 389.499 3.518 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232821309 1038575564 /nfs/dbraw/zinc/57/55/64/1038575564.db2.gz PQNOFNUDBZLFGR-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232821309 1038575566 /nfs/dbraw/zinc/57/55/66/1038575566.db2.gz PQNOFNUDBZLFGR-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232821309 1038575569 /nfs/dbraw/zinc/57/55/69/1038575569.db2.gz PQNOFNUDBZLFGR-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c[nH]c4cc(Cl)ncc34)C2)C1 ZINC001232821309 1038575574 /nfs/dbraw/zinc/57/55/74/1038575574.db2.gz PQNOFNUDBZLFGR-HXUWFJFHSA-N 2 1 376.932 3.539 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)o1 ZINC001462310605 1070160651 /nfs/dbraw/zinc/16/06/51/1070160651.db2.gz CIGKPMYTGMOFSX-GHYICZDASA-N 2 1 382.504 3.858 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001462310605 1070160654 /nfs/dbraw/zinc/16/06/54/1070160654.db2.gz CIGKPMYTGMOFSX-GHYICZDASA-N 2 1 382.504 3.858 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C[C@H](O)c1ccccc1)CC2 ZINC001251985535 1038792636 /nfs/dbraw/zinc/79/26/36/1038792636.db2.gz JJIKBUGSILHSJL-FPOVZHCZSA-N 2 1 386.561 3.537 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H](O)c2ccccc2)CC3)c1 ZINC001251986395 1038794308 /nfs/dbraw/zinc/79/43/08/1038794308.db2.gz AJCAVTJNTQWTTC-HSZRJFAPSA-N 2 1 380.532 3.717 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC001252411380 1038989230 /nfs/dbraw/zinc/98/92/30/1038989230.db2.gz VBSDWGZYJWBZJO-VABKMULXSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1Cc1ccccc1 ZINC001252411380 1038989238 /nfs/dbraw/zinc/98/92/38/1038989238.db2.gz VBSDWGZYJWBZJO-VABKMULXSA-N 2 1 398.595 3.555 20 0 GHADMP CCCCOC[C@H](O)C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC001252509836 1039012503 /nfs/dbraw/zinc/01/25/03/1039012503.db2.gz GPDRHBFFIFBZJH-HSZRJFAPSA-N 2 1 388.596 3.851 20 0 GHADMP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001252536280 1039025125 /nfs/dbraw/zinc/02/51/25/1039025125.db2.gz VNKYESADGYKFDO-DSITVLBTSA-N 2 1 396.575 3.812 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC001252697387 1039084709 /nfs/dbraw/zinc/08/47/09/1039084709.db2.gz ZGXNURAXSZROTB-DENIHFKCSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC001252697387 1039084726 /nfs/dbraw/zinc/08/47/26/1039084726.db2.gz ZGXNURAXSZROTB-DENIHFKCSA-N 2 1 390.616 3.689 20 0 GHADMP CC[NH+](CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC001252697387 1039084732 /nfs/dbraw/zinc/08/47/32/1039084732.db2.gz ZGXNURAXSZROTB-DENIHFKCSA-N 2 1 390.616 3.689 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001233297984 1039088569 /nfs/dbraw/zinc/08/85/69/1039088569.db2.gz TWRPGBVRINXCCY-VOTSOKGWSA-N 2 1 394.515 3.954 20 0 GHADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001233352283 1039167140 /nfs/dbraw/zinc/16/71/40/1039167140.db2.gz YDLRGCQFQIZOEN-IAGOWNOFSA-N 2 1 390.984 3.749 20 0 GHADMP COc1cccc([C@H]2CCC[N@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252933169 1039272667 /nfs/dbraw/zinc/27/26/67/1039272667.db2.gz DYNRMCNVQRFMSZ-UPVQGACJSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@H]2CCC[N@@H+](C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001252933169 1039272676 /nfs/dbraw/zinc/27/26/76/1039272676.db2.gz DYNRMCNVQRFMSZ-UPVQGACJSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@H]2CCC[NH+](C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933169 1039272688 /nfs/dbraw/zinc/27/26/88/1039272688.db2.gz DYNRMCNVQRFMSZ-UPVQGACJSA-N 2 1 380.532 3.512 20 0 GHADMP COc1cccc([C@H]2CCC[NH+](C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001252933169 1039272703 /nfs/dbraw/zinc/27/27/03/1039272703.db2.gz DYNRMCNVQRFMSZ-UPVQGACJSA-N 2 1 380.532 3.512 20 0 GHADMP O[C@]1(CNc2ccccc2C[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252936313 1039274803 /nfs/dbraw/zinc/27/48/03/1039274803.db2.gz UVDVRDUMGCZVOP-DEOSSOPVSA-N 2 1 379.548 3.721 20 0 GHADMP O[C@@]1(CNc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252938338 1039280970 /nfs/dbraw/zinc/28/09/70/1039280970.db2.gz VVAUKVPPSSDOIZ-XMMPIXPASA-N 2 1 379.548 3.721 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001253027356 1039360799 /nfs/dbraw/zinc/36/07/99/1039360799.db2.gz WOYFBEJDHTZQIN-QPPBQGQZSA-N 2 1 390.612 3.877 20 0 GHADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cc1Br ZINC001278702721 1039469327 /nfs/dbraw/zinc/46/93/27/1039469327.db2.gz SXSUSQPNFPHCMJ-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)cc1Br ZINC001278702721 1039469346 /nfs/dbraw/zinc/46/93/46/1039469346.db2.gz SXSUSQPNFPHCMJ-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253300017 1039547179 /nfs/dbraw/zinc/54/71/79/1039547179.db2.gz DVEKNMVDSPJTIR-ZODMCCGTSA-N 2 1 396.575 3.702 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)c(OC)c2)C[C@H]2CCCC[C@@H]12 ZINC001234043656 1039779709 /nfs/dbraw/zinc/77/97/09/1039779709.db2.gz PKTDCIWWVYJLLJ-AQNXPRMDSA-N 2 1 397.519 3.682 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1)CC1CC1 ZINC001254051884 1039976471 /nfs/dbraw/zinc/97/64/71/1039976471.db2.gz HFDHCFAIUYTDBS-HSZRJFAPSA-N 2 1 383.580 3.794 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234396378 1040001660 /nfs/dbraw/zinc/00/16/60/1040001660.db2.gz KCYGSUYDQQTXOC-YADHBBJMSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001254186343 1040033588 /nfs/dbraw/zinc/03/35/88/1040033588.db2.gz LVJGLBOQXLROKB-RTWAWAEBSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC001254391951 1040206493 /nfs/dbraw/zinc/20/64/93/1040206493.db2.gz PQDMJMBONHDSDK-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC001254391951 1040206504 /nfs/dbraw/zinc/20/65/04/1040206504.db2.gz PQDMJMBONHDSDK-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001254391951 1040206508 /nfs/dbraw/zinc/20/65/08/1040206508.db2.gz PQDMJMBONHDSDK-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001254391951 1040206520 /nfs/dbraw/zinc/20/65/20/1040206520.db2.gz PQDMJMBONHDSDK-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522596 1040296042 /nfs/dbraw/zinc/29/60/42/1040296042.db2.gz OZKJEUGZULMERJ-SIKLNZKXSA-N 2 1 398.595 3.529 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254531424 1040302649 /nfs/dbraw/zinc/30/26/49/1040302649.db2.gz FVGWHBKYHSALGQ-VQIMIIECSA-N 2 1 380.374 3.612 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254531424 1040302666 /nfs/dbraw/zinc/30/26/66/1040302666.db2.gz FVGWHBKYHSALGQ-VQIMIIECSA-N 2 1 380.374 3.612 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531739 1040304103 /nfs/dbraw/zinc/30/41/03/1040304103.db2.gz KWYXQXVPODXGLB-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531739 1040304116 /nfs/dbraw/zinc/30/41/16/1040304116.db2.gz KWYXQXVPODXGLB-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001254531739 1040304129 /nfs/dbraw/zinc/30/41/29/1040304129.db2.gz KWYXQXVPODXGLB-DNQXCXABSA-N 2 1 391.559 3.774 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccccc2C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234972052 1040473421 /nfs/dbraw/zinc/47/34/21/1040473421.db2.gz AIJIUEMTPRZTSD-YLJYHZDGSA-N 2 1 392.421 3.672 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccccc2C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001234972052 1040473436 /nfs/dbraw/zinc/47/34/36/1040473436.db2.gz AIJIUEMTPRZTSD-YLJYHZDGSA-N 2 1 392.421 3.672 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+][C@H]1CC[N@H+](CC3CCCC3)C1)C2 ZINC001254767341 1040528032 /nfs/dbraw/zinc/52/80/32/1040528032.db2.gz UWOSBRKFPJHQPM-MOPGFXCFSA-N 2 1 377.573 3.630 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC001254767341 1040528053 /nfs/dbraw/zinc/52/80/53/1040528053.db2.gz UWOSBRKFPJHQPM-MOPGFXCFSA-N 2 1 377.573 3.630 20 0 GHADMP FC(F)(F)c1ccc(-c2ncc(C[N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)s2)cc1 ZINC001235036899 1040529163 /nfs/dbraw/zinc/52/91/63/1040529163.db2.gz OXKNNYXCXMQWTP-RHSMWYFYSA-N 2 1 397.466 3.639 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001235091465 1040580031 /nfs/dbraw/zinc/58/00/31/1040580031.db2.gz CHUOVQCVNPBLEM-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2CC3(C2)CC[NH2+]CC3)cc1Br ZINC001235093234 1040582930 /nfs/dbraw/zinc/58/29/30/1040582930.db2.gz RCBPWWGXQSKOKR-UHFFFAOYSA-N 2 1 379.220 3.533 20 0 GHADMP COc1ccc2c(OC)ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CCC4(F)F)c2c1 ZINC001235093542 1040583020 /nfs/dbraw/zinc/58/30/20/1040583020.db2.gz LXOVVXZFXNOWIG-FQEVSTJZSA-N 2 1 376.447 3.678 20 0 GHADMP c1[nH+]c(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3C[NH+]4CCC3CC4)no1)CC2 ZINC001254851111 1040595134 /nfs/dbraw/zinc/59/51/34/1040595134.db2.gz RNYQXDULGFABJE-MJGOQNOKSA-N 2 1 381.524 3.853 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1O ZINC001235151808 1040643364 /nfs/dbraw/zinc/64/33/64/1040643364.db2.gz BQBCWPJXTJBKQX-INIZCTEOSA-N 2 1 383.330 3.517 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235160229 1040653573 /nfs/dbraw/zinc/65/35/73/1040653573.db2.gz ZVFFIDFOGVLGIM-GOSISDBHSA-N 2 1 398.332 3.954 20 0 GHADMP Brc1cccc2c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)[nH]nc21 ZINC001235159916 1040653602 /nfs/dbraw/zinc/65/36/02/1040653602.db2.gz YRSBZXAGRZILFQ-QGZVFWFLSA-N 2 1 377.330 3.680 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235158817 1040654371 /nfs/dbraw/zinc/65/43/71/1040654371.db2.gz WCFPWVXBGRBDBP-GOSISDBHSA-N 2 1 396.373 3.985 20 0 GHADMP c1cc(C2CCCCC2)ccc1C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206336 1040692406 /nfs/dbraw/zinc/69/24/06/1040692406.db2.gz MGMZMQZNPRSZQO-UHFFFAOYSA-N 2 1 396.579 3.708 20 0 GHADMP COc1c(Br)cc(F)cc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235239375 1040719158 /nfs/dbraw/zinc/71/91/58/1040719158.db2.gz VMASOLMWANXLLL-KRWDZBQOSA-N 2 1 385.321 3.951 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001235265918 1040744547 /nfs/dbraw/zinc/74/45/47/1040744547.db2.gz LDFUHQPYQXNKPT-UNMCSNQZSA-N 2 1 388.600 3.563 20 0 GHADMP CC(=O)OCC[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255077522 1040767397 /nfs/dbraw/zinc/76/73/97/1040767397.db2.gz WHOWPEXPVCHQPZ-UBFVSLLYSA-N 2 1 392.543 3.904 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(Cl)s1)C2 ZINC001235323389 1040792585 /nfs/dbraw/zinc/79/25/85/1040792585.db2.gz CRQBCEAEWCJTAK-HNAYVOBHSA-N 2 1 382.957 3.546 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc3ccccc31)C2 ZINC001235324256 1040794581 /nfs/dbraw/zinc/79/45/81/1040794581.db2.gz IISUCELIYHITQS-WIOPSUGQSA-N 2 1 392.543 3.985 20 0 GHADMP Fc1cc(Br)c(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341527 1040810016 /nfs/dbraw/zinc/81/00/16/1040810016.db2.gz PZMKOUDYGORBBL-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP Fc1cc(Br)c(C(F)(F)F)cc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235341527 1040810050 /nfs/dbraw/zinc/81/00/50/1040810050.db2.gz PZMKOUDYGORBBL-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP O=C1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1Cc1ccccc1 ZINC001255125250 1040817961 /nfs/dbraw/zinc/81/79/61/1040817961.db2.gz UQWPSNXBQXQCHC-YCAMKHIRSA-N 2 1 389.543 3.573 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@@H]1CC[NH2+]CC2 ZINC001235348395 1040822203 /nfs/dbraw/zinc/82/22/03/1040822203.db2.gz BPMMHBUOKZBIAT-AVRDEDQJSA-N 2 1 384.545 3.780 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235367360 1040862931 /nfs/dbraw/zinc/86/29/31/1040862931.db2.gz GGEARHDSUHMMRM-ISKFKSNPSA-N 2 1 378.516 3.617 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150973 1040871076 /nfs/dbraw/zinc/87/10/76/1040871076.db2.gz QXJUBBGMBJUZPB-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150973 1040871090 /nfs/dbraw/zinc/87/10/90/1040871090.db2.gz QXJUBBGMBJUZPB-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150973 1040871098 /nfs/dbraw/zinc/87/10/98/1040871098.db2.gz QXJUBBGMBJUZPB-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150973 1040871105 /nfs/dbraw/zinc/87/11/05/1040871105.db2.gz QXJUBBGMBJUZPB-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255150817 1040871508 /nfs/dbraw/zinc/87/15/08/1040871508.db2.gz OWXRBANXMFNPCN-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)nc1 ZINC001255150817 1040871518 /nfs/dbraw/zinc/87/15/18/1040871518.db2.gz OWXRBANXMFNPCN-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001255150817 1040871525 /nfs/dbraw/zinc/87/15/25/1040871525.db2.gz OWXRBANXMFNPCN-BESBDSHLSA-N 2 1 393.531 3.739 20 0 GHADMP Cc1cncnc1OC1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255151941 1040875002 /nfs/dbraw/zinc/87/50/02/1040875002.db2.gz ZXKSHHNOLPMNDC-KOUNCHBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)ccc1Oc1ccc(F)cc1 ZINC001235378769 1040896532 /nfs/dbraw/zinc/89/65/32/1040896532.db2.gz JVKPNOMKEOYWAE-JMUQELJHSA-N 2 1 382.479 3.879 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccc3ncc(Br)cc3c1)C2 ZINC001235400250 1040913399 /nfs/dbraw/zinc/91/33/99/1040913399.db2.gz CRVBRSWVPTVWJW-ROUUACIJSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccc3ncc(Br)cc3c1)C2 ZINC001235400250 1040913400 /nfs/dbraw/zinc/91/34/00/1040913400.db2.gz CRVBRSWVPTVWJW-ROUUACIJSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1cccc3cc(Br)cnc31)C2 ZINC001235404416 1040917126 /nfs/dbraw/zinc/91/71/26/1040917126.db2.gz MBXQDUOQFNNSBA-FUHWJXTLSA-N 2 1 378.289 3.521 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)cc2)cc1 ZINC001235409900 1040920156 /nfs/dbraw/zinc/92/01/56/1040920156.db2.gz XRQGSJXOARNFOB-DHIUTWEWSA-N 2 1 383.511 3.987 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc(OC)c1Br ZINC001278854044 1040923993 /nfs/dbraw/zinc/92/39/93/1040923993.db2.gz UMLXJIJIRVXSCV-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc(OC)c1Br ZINC001278854044 1040923994 /nfs/dbraw/zinc/92/39/94/1040923994.db2.gz UMLXJIJIRVXSCV-UHFFFAOYSA-N 2 1 397.357 3.774 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428827 1040929508 /nfs/dbraw/zinc/92/95/08/1040929508.db2.gz RIXCUBWYFDQNCT-ZIAGYGMSSA-N 2 1 385.321 3.808 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428827 1040929510 /nfs/dbraw/zinc/92/95/10/1040929510.db2.gz RIXCUBWYFDQNCT-ZIAGYGMSSA-N 2 1 385.321 3.808 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428826 1040930206 /nfs/dbraw/zinc/93/02/06/1040930206.db2.gz RIXCUBWYFDQNCT-UONOGXRCSA-N 2 1 385.321 3.808 20 0 GHADMP COc1ccc(Br)c(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235428826 1040930207 /nfs/dbraw/zinc/93/02/07/1040930207.db2.gz RIXCUBWYFDQNCT-UONOGXRCSA-N 2 1 385.321 3.808 20 0 GHADMP COc1c(Br)cc(C)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430336 1040931211 /nfs/dbraw/zinc/93/12/11/1040931211.db2.gz WUDMGXORZFIFQP-HZPDHXFCSA-N 2 1 381.358 3.978 20 0 GHADMP Brc1ccc2[nH]c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235432222 1040933279 /nfs/dbraw/zinc/93/32/79/1040933279.db2.gz RBLNRHFCPUJXJK-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432222 1040933293 /nfs/dbraw/zinc/93/32/93/1040933293.db2.gz RBLNRHFCPUJXJK-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432222 1040933298 /nfs/dbraw/zinc/93/32/98/1040933298.db2.gz RBLNRHFCPUJXJK-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)CC1 ZINC001255265929 1040933632 /nfs/dbraw/zinc/93/36/32/1040933632.db2.gz AYZOXGQPEXSYFB-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433248 1040934335 /nfs/dbraw/zinc/93/43/35/1040934335.db2.gz YQKVZZHJYINWEK-UONOGXRCSA-N 2 1 382.430 3.673 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235433248 1040934341 /nfs/dbraw/zinc/93/43/41/1040934341.db2.gz YQKVZZHJYINWEK-UONOGXRCSA-N 2 1 382.430 3.673 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235433248 1040934352 /nfs/dbraw/zinc/93/43/52/1040934352.db2.gz YQKVZZHJYINWEK-UONOGXRCSA-N 2 1 382.430 3.673 20 0 GHADMP C[N@H+](Cc1cc(F)c(Br)cc1Br)CC1CC[NH2+]CC1 ZINC001235433407 1040934859 /nfs/dbraw/zinc/93/48/59/1040934859.db2.gz VZTWXWPYVDBYLQ-UHFFFAOYSA-N 2 1 394.126 3.782 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3C3CCC(C)(C)CC3)O2)CC1 ZINC001255304468 1040942010 /nfs/dbraw/zinc/94/20/10/1040942010.db2.gz LGKPJZSRWRBCPP-YPAWHYETSA-N 2 1 378.601 3.936 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@@H+](CC[C@H]1CCCC[NH2+]1)CC2 ZINC001235484694 1040957204 /nfs/dbraw/zinc/95/72/04/1040957204.db2.gz RKYSZUQRWBBSQV-GOSISDBHSA-N 2 1 399.560 3.530 20 0 GHADMP C[C@H]1CNCC(F)(F)[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235524577 1040975123 /nfs/dbraw/zinc/97/51/23/1040975123.db2.gz AIAYESDXSXVCIN-FUHWJXTLSA-N 2 1 383.552 3.527 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001235524577 1040975126 /nfs/dbraw/zinc/97/51/26/1040975126.db2.gz AIAYESDXSXVCIN-FUHWJXTLSA-N 3 1 383.552 3.527 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001235524577 1040975129 /nfs/dbraw/zinc/97/51/29/1040975129.db2.gz AIAYESDXSXVCIN-FUHWJXTLSA-N 3 1 383.552 3.527 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389038 1040977356 /nfs/dbraw/zinc/97/73/56/1040977356.db2.gz JANKZGCRSZKMGL-QUCCMNQESA-N 2 1 375.557 3.934 20 0 GHADMP c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccc(N4CC[NH2+]CC4)c2)C3)cc1 ZINC001235533773 1040978043 /nfs/dbraw/zinc/97/80/43/1040978043.db2.gz VJVGGHPDDSTOCL-ILBGXUMGSA-N 2 1 391.559 3.635 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255391708 1040980627 /nfs/dbraw/zinc/98/06/27/1040980627.db2.gz BYLPEMSDTLXBNT-DNVJHFABSA-N 2 1 385.596 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](C2CCOCC2)[C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255391708 1040980633 /nfs/dbraw/zinc/98/06/33/1040980633.db2.gz BYLPEMSDTLXBNT-DNVJHFABSA-N 3 1 385.596 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255391708 1040980638 /nfs/dbraw/zinc/98/06/38/1040980638.db2.gz BYLPEMSDTLXBNT-DNVJHFABSA-N 3 1 385.596 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCOCC2)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255391708 1040980643 /nfs/dbraw/zinc/98/06/43/1040980643.db2.gz BYLPEMSDTLXBNT-DNVJHFABSA-N 3 1 385.596 3.792 20 0 GHADMP [NH3+][C@H]1CC[C@H]([NH+](C2CCOCC2)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391708 1040980644 /nfs/dbraw/zinc/98/06/44/1040980644.db2.gz BYLPEMSDTLXBNT-DNVJHFABSA-N 3 1 385.596 3.792 20 0 GHADMP O=C1NCCCN1c1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255394233 1040982142 /nfs/dbraw/zinc/98/21/42/1040982142.db2.gz YLHYXCDGTMXLRJ-QFIPXVFZSA-N 2 1 392.547 3.751 20 0 GHADMP COc1ccc2c(c1)OC[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255398407 1040984872 /nfs/dbraw/zinc/98/48/72/1040984872.db2.gz TZXYJCHHRJWAGU-UNMCSNQZSA-N 2 1 380.532 3.891 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401709 1040988392 /nfs/dbraw/zinc/98/83/92/1040988392.db2.gz WZODHCWBSRZTHO-PCCBWWKXSA-N 2 1 385.552 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2[C@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255401709 1040988397 /nfs/dbraw/zinc/98/83/97/1040988397.db2.gz WZODHCWBSRZTHO-PCCBWWKXSA-N 2 1 385.552 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[NH+]2[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255401709 1040988400 /nfs/dbraw/zinc/98/84/00/1040988400.db2.gz WZODHCWBSRZTHO-PCCBWWKXSA-N 2 1 385.552 3.735 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[NH+]2[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255401709 1040988406 /nfs/dbraw/zinc/98/84/06/1040988406.db2.gz WZODHCWBSRZTHO-PCCBWWKXSA-N 2 1 385.552 3.735 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255405723 1040992627 /nfs/dbraw/zinc/99/26/27/1040992627.db2.gz OPZPGEWMCQXPEB-NHCUHLMSSA-N 2 1 387.568 3.982 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255405723 1040992639 /nfs/dbraw/zinc/99/26/39/1040992639.db2.gz OPZPGEWMCQXPEB-NHCUHLMSSA-N 2 1 387.568 3.982 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255405723 1040992645 /nfs/dbraw/zinc/99/26/45/1040992645.db2.gz OPZPGEWMCQXPEB-NHCUHLMSSA-N 2 1 387.568 3.982 20 0 GHADMP CC1(C(=O)N2CCCC2)CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255406510 1040994268 /nfs/dbraw/zinc/99/42/68/1040994268.db2.gz SVPSGNCUQLYXHZ-QFIPXVFZSA-N 2 1 383.580 3.766 20 0 GHADMP Fc1ccc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC001255408672 1040994500 /nfs/dbraw/zinc/99/45/00/1040994500.db2.gz ANOJGXVYBLKUFU-NRFANRHFSA-N 2 1 382.527 3.834 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255410198 1040999046 /nfs/dbraw/zinc/99/90/46/1040999046.db2.gz RIKDIINQEBCMIV-FCHUYYIVSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255410198 1040999053 /nfs/dbraw/zinc/99/90/53/1040999053.db2.gz RIKDIINQEBCMIV-FCHUYYIVSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410198 1040999054 /nfs/dbraw/zinc/99/90/54/1040999054.db2.gz RIKDIINQEBCMIV-FCHUYYIVSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410198 1040999055 /nfs/dbraw/zinc/99/90/55/1040999055.db2.gz RIKDIINQEBCMIV-FCHUYYIVSA-N 2 1 395.547 3.988 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235617705 1041035291 /nfs/dbraw/zinc/03/52/91/1041035291.db2.gz VARNIDQRWINJNL-CTNGQTDRSA-N 2 1 378.564 3.971 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4c[nH+]ccc4N4CCCC4)o3)C2)cc1 ZINC001255468706 1041072103 /nfs/dbraw/zinc/07/21/03/1041072103.db2.gz JKKAHMDLMRWSSV-SFHVURJKSA-N 2 1 375.476 3.721 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](c3nnc(-c4c[nH+]ccc4N4CCCC4)o3)C2)cc1 ZINC001255468706 1041072120 /nfs/dbraw/zinc/07/21/20/1041072120.db2.gz JKKAHMDLMRWSSV-SFHVURJKSA-N 2 1 375.476 3.721 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)C1 ZINC001255595684 1041154505 /nfs/dbraw/zinc/15/45/05/1041154505.db2.gz MXHDUXJDTBNMTK-SFHVURJKSA-N 2 1 393.959 3.685 20 0 GHADMP Nc1ccc2c(c1)[nH]nc2C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001235694251 1041169397 /nfs/dbraw/zinc/16/93/97/1041169397.db2.gz PNBOVBLVVOVYPB-UHFFFAOYSA-N 2 1 375.520 3.633 20 0 GHADMP CC(C)(C)c1cc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)cc(C(C)(C)C)c1O ZINC001235697840 1041176312 /nfs/dbraw/zinc/17/63/12/1041176312.db2.gz BIELLDPONCIIHR-UHFFFAOYSA-N 2 1 387.612 3.857 20 0 GHADMP CSc1ncc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c(NC2CCCC2)n1 ZINC001235701974 1041180151 /nfs/dbraw/zinc/18/01/51/1041180151.db2.gz PNONVOJAECRJDU-UHFFFAOYSA-N 2 1 389.613 3.765 20 0 GHADMP CCCCc1ncc(CN2CC[NH2+][C@@H](c3cccc(Br)c3)C2)[nH]1 ZINC001235802131 1041310063 /nfs/dbraw/zinc/31/00/63/1041310063.db2.gz XOELADVFHAXWQY-QGZVFWFLSA-N 2 1 377.330 3.661 20 0 GHADMP CC1([NH+]2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)CC[NH2+]CC1 ZINC001235815838 1041330025 /nfs/dbraw/zinc/33/00/25/1041330025.db2.gz PXHSGNOLGYGBBT-UHFFFAOYSA-N 2 1 375.866 3.619 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cnc(Br)c(C)c2)CC1 ZINC001235829494 1041350093 /nfs/dbraw/zinc/35/00/93/1041350093.db2.gz SPKFJGCAYOBAPO-UHFFFAOYSA-N 2 1 375.314 3.595 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255904517 1041386977 /nfs/dbraw/zinc/38/69/77/1041386977.db2.gz YOPMUBBBSSRQGH-IHPCNDPISA-N 2 1 388.556 3.553 20 0 GHADMP CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1C[N@H+](CCCC[NH3+])CCO1 ZINC001235864095 1041395992 /nfs/dbraw/zinc/39/59/92/1041395992.db2.gz CLPKDXKIGWKMCT-DHIUTWEWSA-N 2 1 384.520 3.645 20 0 GHADMP CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1C[N@@H+](CCCC[NH3+])CCO1 ZINC001235864095 1041396001 /nfs/dbraw/zinc/39/60/01/1041396001.db2.gz CLPKDXKIGWKMCT-DHIUTWEWSA-N 2 1 384.520 3.645 20 0 GHADMP Clc1ccc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c(Cl)c1 ZINC001235864966 1041397699 /nfs/dbraw/zinc/39/76/99/1041397699.db2.gz MHXXXPHOXVHHTO-UHFFFAOYSA-N 2 1 376.331 3.961 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)nc1 ZINC001235866185 1041398270 /nfs/dbraw/zinc/39/82/70/1041398270.db2.gz MTOGGPLHHRMGCV-NRFANRHFSA-N 2 1 397.519 3.728 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H](CF)[C@H](C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC001255958722 1041436745 /nfs/dbraw/zinc/43/67/45/1041436745.db2.gz FFGRJXWYYNAZGG-OKZBNKHCSA-N 2 1 385.568 3.682 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCc3csc(C)n3)CC[C@H]21 ZINC001255962204 1041441592 /nfs/dbraw/zinc/44/15/92/1041441592.db2.gz HOPPBHJVJVYQAI-LLUDDFSJSA-N 2 1 395.613 3.710 20 0 GHADMP COCCC[N@@H+](Cc1ccc(O)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235939386 1041445951 /nfs/dbraw/zinc/44/59/51/1041445951.db2.gz AGHOAUQJGUJOFG-UHFFFAOYSA-N 2 1 384.520 3.562 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+]([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255969072 1041449327 /nfs/dbraw/zinc/44/93/27/1041449327.db2.gz SXDMANHIFVVQOI-IBGZPJMESA-N 2 1 389.584 3.790 20 0 GHADMP CC(C)[N@@H+](CCN)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001235948652 1041454084 /nfs/dbraw/zinc/45/40/84/1041454084.db2.gz RVRCGVCQJXNJFI-UHFFFAOYSA-N 2 1 389.584 3.523 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(N3CC[NH+](C)CC3)nc2)nc1 ZINC001235973460 1041478142 /nfs/dbraw/zinc/47/81/42/1041478142.db2.gz JZISQQCEGMVVNR-QFIPXVFZSA-N 2 1 379.552 3.832 20 0 GHADMP CCOc1cc(C(=O)OC)ccc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975302 1041479715 /nfs/dbraw/zinc/47/97/15/1041479715.db2.gz VAKHIVFPLQRMBB-UHFFFAOYSA-N 2 1 394.515 3.509 20 0 GHADMP COc1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(OC)c1Cl ZINC001235978880 1041483461 /nfs/dbraw/zinc/48/34/61/1041483461.db2.gz LHOLRWQPCFPKFE-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP COc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(OC)c1Cl ZINC001235978880 1041483477 /nfs/dbraw/zinc/48/34/77/1041483477.db2.gz LHOLRWQPCFPKFE-UHFFFAOYSA-N 2 1 386.923 3.994 20 0 GHADMP Brc1ccccc1CC1([NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001256071750 1041506817 /nfs/dbraw/zinc/50/68/17/1041506817.db2.gz NFGBRDNTOUMQAK-UHFFFAOYSA-N 2 1 393.369 3.757 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1)c1ccccc1Cl ZINC001256072130 1041507010 /nfs/dbraw/zinc/50/70/10/1041507010.db2.gz IUJHBARPAWXAMR-WKILWMFISA-N 2 1 375.944 3.597 20 0 GHADMP Cc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC1)O2 ZINC001236038486 1041512180 /nfs/dbraw/zinc/51/21/80/1041512180.db2.gz QFHOMKPIYAGQEV-UHFFFAOYSA-N 2 1 382.529 3.702 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CC1 ZINC001236065474 1041519269 /nfs/dbraw/zinc/51/92/69/1041519269.db2.gz ANKMWWHMQVJPSW-QHCPKHFHSA-N 2 1 389.499 3.614 20 0 GHADMP FC(F)(F)c1cccc2c1C[N@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001236086754 1041527178 /nfs/dbraw/zinc/52/71/78/1041527178.db2.gz SBWFAQAJVBDVPC-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP FC(F)(F)c1cccc2c1C[N@@H+](Cc1cccc(N3CC[NH2+]CC3)c1)CC2 ZINC001236086754 1041527193 /nfs/dbraw/zinc/52/71/93/1041527193.db2.gz SBWFAQAJVBDVPC-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236097486 1041532345 /nfs/dbraw/zinc/53/23/45/1041532345.db2.gz KLKXQGMSKTYDIV-TZIWHRDSSA-N 2 1 384.545 3.705 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236097479 1041532804 /nfs/dbraw/zinc/53/28/04/1041532804.db2.gz KLKXQGMSKTYDIV-FPOVZHCZSA-N 2 1 384.545 3.705 20 0 GHADMP CCC[N@@H+](Cc1ccc(-n2ccnc2)c(Br)c1)C1CC[NH2+]CC1 ZINC001236184985 1041605827 /nfs/dbraw/zinc/60/58/27/1041605827.db2.gz QDFPBHWFQBFCMO-UHFFFAOYSA-N 2 1 377.330 3.599 20 0 GHADMP C[N@@H+](Cc1cccc(Br)c1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223818 1041630233 /nfs/dbraw/zinc/63/02/33/1041630233.db2.gz PPJOFSGIUHWCIR-HAQNSBGRSA-N 2 1 376.136 3.913 20 0 GHADMP C[N@@H+](Cc1c(Cl)ccc(I)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224777 1041630788 /nfs/dbraw/zinc/63/07/88/1041630788.db2.gz WQWSSXQQCCKRNO-MGCOHNPYSA-N 2 1 396.675 3.785 20 0 GHADMP COC(=O)COc1ccccc1C[N@@H+](Cc1ccccc1)C1CCC([NH3+])CC1 ZINC001236227402 1041632188 /nfs/dbraw/zinc/63/21/88/1041632188.db2.gz DRLUPZPRZKEWOY-UHFFFAOYSA-N 2 1 382.504 3.511 20 0 GHADMP CN1CCC([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256201846 1041646011 /nfs/dbraw/zinc/64/60/11/1041646011.db2.gz QVTMLMQRXGLKOW-IYARVYRRSA-N 2 1 380.374 3.615 20 0 GHADMP C[NH+]1CCC([N@@H+]2CC[C@]3(CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001256203391 1041646412 /nfs/dbraw/zinc/64/64/12/1041646412.db2.gz HFMVXMGPCMAWOE-ZJSXRUAMSA-N 2 1 399.579 3.807 20 0 GHADMP C[NH+]1CCC([N@H+]2CC[C@]3(CN(C(=O)OC(C)(C)C)C[C@@H]3c3ccccc3)C2)CC1 ZINC001256203391 1041646430 /nfs/dbraw/zinc/64/64/30/1041646430.db2.gz HFMVXMGPCMAWOE-ZJSXRUAMSA-N 2 1 399.579 3.807 20 0 GHADMP COC(=O)c1ccc2c(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)c[nH]c2c1 ZINC001236300595 1041664730 /nfs/dbraw/zinc/66/47/30/1041664730.db2.gz UNVXILZTADTTPJ-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP CC1(C[N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001236314350 1041667338 /nfs/dbraw/zinc/66/73/38/1041667338.db2.gz LEFBNMAQYNXKHU-QHCPKHFHSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1cc(Br)c(OC(C)C)c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236321386 1041670596 /nfs/dbraw/zinc/67/05/96/1041670596.db2.gz LXOBRXJLGFRABT-IYBDPMFKSA-N 2 1 381.358 3.976 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC001256239773 1041671614 /nfs/dbraw/zinc/67/16/14/1041671614.db2.gz MKXMEURLARFLNQ-UHFFFAOYSA-N 2 1 391.581 3.657 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256294118 1041687130 /nfs/dbraw/zinc/68/71/30/1041687130.db2.gz HGFXTUWKDRLQFJ-UHFFFAOYSA-N 2 1 387.568 3.982 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256294118 1041687134 /nfs/dbraw/zinc/68/71/34/1041687134.db2.gz HGFXTUWKDRLQFJ-UHFFFAOYSA-N 2 1 387.568 3.982 20 0 GHADMP COc1ncc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1Cl ZINC001236384752 1041692343 /nfs/dbraw/zinc/69/23/43/1041692343.db2.gz AWIVHWDWDXOGGW-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP Fc1cccc(CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001236401655 1041702301 /nfs/dbraw/zinc/70/23/01/1041702301.db2.gz QZRYLRZNQXKKQT-QFIPXVFZSA-N 2 1 381.539 3.902 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236442745 1041714332 /nfs/dbraw/zinc/71/43/32/1041714332.db2.gz QEXOQUUZHMESST-UHFFFAOYSA-N 2 1 382.504 3.765 20 0 GHADMP CCC(=O)Oc1ccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)cc1 ZINC001236442745 1041714342 /nfs/dbraw/zinc/71/43/42/1041714342.db2.gz QEXOQUUZHMESST-UHFFFAOYSA-N 2 1 382.504 3.765 20 0 GHADMP Clc1ccc(C[N@H+](Cc2ccccc2N2CCOCC2)C2CC[NH2+]CC2)cc1 ZINC001236454325 1041719445 /nfs/dbraw/zinc/71/94/45/1041719445.db2.gz GBLWAUZHFISEMI-UHFFFAOYSA-N 2 1 399.966 3.931 20 0 GHADMP Clc1ccc(C[N@@H+](Cc2ccccc2N2CCOCC2)C2CC[NH2+]CC2)cc1 ZINC001236454325 1041719450 /nfs/dbraw/zinc/71/94/50/1041719450.db2.gz GBLWAUZHFISEMI-UHFFFAOYSA-N 2 1 399.966 3.931 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456644 1041720726 /nfs/dbraw/zinc/72/07/26/1041720726.db2.gz BKIFGRUARKNCJK-UHFFFAOYSA-N 2 1 397.357 3.836 20 0 GHADMP COC(=O)c1cc(Br)ccc1C[N@@H+](CC(C)(C)C)C1CC[NH2+]CC1 ZINC001236456644 1041720733 /nfs/dbraw/zinc/72/07/33/1041720733.db2.gz BKIFGRUARKNCJK-UHFFFAOYSA-N 2 1 397.357 3.836 20 0 GHADMP CCOCC[N@H+](Cc1cc2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC001236461571 1041723781 /nfs/dbraw/zinc/72/37/81/1041723781.db2.gz MGRFHBSUTZJCDL-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP CCOCC[N@@H+](Cc1cc2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC001236461571 1041723787 /nfs/dbraw/zinc/72/37/87/1041723787.db2.gz MGRFHBSUTZJCDL-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001256456233 1041739999 /nfs/dbraw/zinc/73/99/99/1041739999.db2.gz GZYJVUZZASPIHA-MJGOQNOKSA-N 2 1 388.556 3.736 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236537835 1041755786 /nfs/dbraw/zinc/75/57/86/1041755786.db2.gz VTZJNJJBFGDDKK-QAQDUYKDSA-N 2 1 388.483 3.821 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236537835 1041755790 /nfs/dbraw/zinc/75/57/90/1041755790.db2.gz VTZJNJJBFGDDKK-QAQDUYKDSA-N 2 1 388.483 3.821 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC001236562830 1041764170 /nfs/dbraw/zinc/76/41/70/1041764170.db2.gz YKASELBBEBLUMZ-AQYVVDRMSA-N 2 1 381.520 3.839 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2[nH]nc3ccc(Br)cc32)C2CCC2)CC1 ZINC001236571789 1041765794 /nfs/dbraw/zinc/76/57/94/1041765794.db2.gz GZHYGQBABCUNMV-CTYIDZIISA-N 2 1 377.330 3.950 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2n[nH]c3ccc(Br)cc32)C2CCC2)CC1 ZINC001236571789 1041765800 /nfs/dbraw/zinc/76/58/00/1041765800.db2.gz GZHYGQBABCUNMV-CTYIDZIISA-N 2 1 377.330 3.950 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2n[nH]c3ccc(Br)cc32)C2CCC2)CC1 ZINC001236571789 1041765807 /nfs/dbraw/zinc/76/58/07/1041765807.db2.gz GZHYGQBABCUNMV-CTYIDZIISA-N 2 1 377.330 3.950 20 0 GHADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001236623367 1041788784 /nfs/dbraw/zinc/78/87/84/1041788784.db2.gz SOGCBVDTACMLHS-HSZRJFAPSA-N 2 1 379.548 3.571 20 0 GHADMP Cn1c2ccccc2c(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c1-c1ccccc1 ZINC001236623853 1041789633 /nfs/dbraw/zinc/78/96/33/1041789633.db2.gz UVCQEHVCBALWKV-NRFANRHFSA-N 2 1 388.559 3.843 20 0 GHADMP CCOC(=O)c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001236656197 1041807142 /nfs/dbraw/zinc/80/71/42/1041807142.db2.gz MPRQBYOOZCLTIO-RTWAWAEBSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001236656197 1041807147 /nfs/dbraw/zinc/80/71/47/1041807147.db2.gz MPRQBYOOZCLTIO-RTWAWAEBSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001236656197 1041807154 /nfs/dbraw/zinc/80/71/54/1041807154.db2.gz MPRQBYOOZCLTIO-RTWAWAEBSA-N 2 1 393.531 3.602 20 0 GHADMP COc1ccc2sc(C[N@H+]3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)cc2c1 ZINC001236659860 1041809190 /nfs/dbraw/zinc/80/91/90/1041809190.db2.gz VSBHHCPXKZOXAO-MJGOQNOKSA-N 2 1 396.560 3.597 20 0 GHADMP COc1ccc2sc(C[N@@H+]3C[C@H]4CC[NH+](Cc5cnn(C)c5)C[C@H]4C3)cc2c1 ZINC001236659860 1041809196 /nfs/dbraw/zinc/80/91/96/1041809196.db2.gz VSBHHCPXKZOXAO-MJGOQNOKSA-N 2 1 396.560 3.597 20 0 GHADMP COc1ccc2sc(C[N@H+]3C[C@H]4CC[NH+](Cc5cnn(C)c5)C[C@H]4C3)cc2c1 ZINC001236659860 1041809199 /nfs/dbraw/zinc/80/91/99/1041809199.db2.gz VSBHHCPXKZOXAO-MJGOQNOKSA-N 2 1 396.560 3.597 20 0 GHADMP COc1ccc2sc(C[NH+]3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2c1 ZINC001236659860 1041809203 /nfs/dbraw/zinc/80/92/03/1041809203.db2.gz VSBHHCPXKZOXAO-MJGOQNOKSA-N 2 1 396.560 3.597 20 0 GHADMP COc1ccc2sc(C[NH+]3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cc2c1 ZINC001236659860 1041809206 /nfs/dbraw/zinc/80/92/06/1041809206.db2.gz VSBHHCPXKZOXAO-MJGOQNOKSA-N 2 1 396.560 3.597 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236671094 1041818789 /nfs/dbraw/zinc/81/87/89/1041818789.db2.gz DBWSRWUWUXGBSX-CUWPLCDZSA-N 2 1 381.520 3.761 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236690325 1041834181 /nfs/dbraw/zinc/83/41/81/1041834181.db2.gz PSSALJYYPGOFEP-YHBQERECSA-N 3 1 381.564 3.899 20 0 GHADMP CCOc1ncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001236693844 1041835985 /nfs/dbraw/zinc/83/59/85/1041835985.db2.gz DMJFAWYHGBNBKK-SFTDATJTSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1ncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001236693844 1041835987 /nfs/dbraw/zinc/83/59/87/1041835987.db2.gz DMJFAWYHGBNBKK-SFTDATJTSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1ncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1F ZINC001236693844 1041835989 /nfs/dbraw/zinc/83/59/89/1041835989.db2.gz DMJFAWYHGBNBKK-SFTDATJTSA-N 2 1 383.511 3.963 20 0 GHADMP COc1ccccc1C[N@H+](Cc1nc2cc(F)ccc2[nH]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711533 1041848064 /nfs/dbraw/zinc/84/80/64/1041848064.db2.gz SEGMAUIKQVDPFT-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711533 1041848071 /nfs/dbraw/zinc/84/80/71/1041848071.db2.gz SEGMAUIKQVDPFT-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COC(=O)COc1ccccc1C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236722374 1041856408 /nfs/dbraw/zinc/85/64/08/1041856408.db2.gz HFOMMQJXLMXYMX-HZCBDIJESA-N 2 1 396.531 3.819 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001236793997 1041898040 /nfs/dbraw/zinc/89/80/40/1041898040.db2.gz VNZHZBBUSMCPEA-NHCUHLMSSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001236793997 1041898043 /nfs/dbraw/zinc/89/80/43/1041898043.db2.gz VNZHZBBUSMCPEA-NHCUHLMSSA-N 2 1 396.506 3.956 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@H]12 ZINC001236831454 1041921397 /nfs/dbraw/zinc/92/13/97/1041921397.db2.gz RHSWIBRTWCVIRQ-LJWDBELGSA-N 2 1 379.220 3.517 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3Br)C[C@H]12 ZINC001236831454 1041921400 /nfs/dbraw/zinc/92/14/00/1041921400.db2.gz RHSWIBRTWCVIRQ-LJWDBELGSA-N 2 1 379.220 3.517 20 0 GHADMP CCOc1cncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001236839037 1041924272 /nfs/dbraw/zinc/92/42/72/1041924272.db2.gz PYVPXRFSIQAMNU-QFIPXVFZSA-N 2 1 395.547 3.736 20 0 GHADMP C[N@@H+](Cc1ccccc1F)C1CCN(Cc2cccc(-n3cncn3)c2)CC1 ZINC001236889494 1041941269 /nfs/dbraw/zinc/94/12/69/1041941269.db2.gz LSOMNXRZCKXXES-UHFFFAOYSA-N 2 1 379.483 3.503 20 0 GHADMP COc1ccccc1S[C@@H]1CC[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)C1 ZINC001236893304 1041942795 /nfs/dbraw/zinc/94/27/95/1041942795.db2.gz KVBPMPOOLSQFTA-OAQYLSRUSA-N 2 1 397.588 3.814 20 0 GHADMP COc1ccc(C2=CC[N@@H+](Cc3cccc(N4CC[NH+](C)CC4)c3)CC2)cc1 ZINC001236894414 1041943308 /nfs/dbraw/zinc/94/33/08/1041943308.db2.gz MQSUVGJJKUCMSX-UHFFFAOYSA-N 2 1 377.532 3.736 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001237191053 1042086644 /nfs/dbraw/zinc/08/66/44/1042086644.db2.gz JNTPLVRDHRXXCA-IERDGZPVSA-N 2 1 388.506 3.757 20 0 GHADMP CCOC(=O)c1ccc(CCC[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237274932 1042118540 /nfs/dbraw/zinc/11/85/40/1042118540.db2.gz HWADJUPAKOHFIG-UHFFFAOYSA-N 2 1 392.543 3.933 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393581 1042186995 /nfs/dbraw/zinc/18/69/95/1042186995.db2.gz CYPSXIFYILONMC-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393581 1042186998 /nfs/dbraw/zinc/18/69/98/1042186998.db2.gz CYPSXIFYILONMC-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001237393581 1042187004 /nfs/dbraw/zinc/18/70/04/1042187004.db2.gz CYPSXIFYILONMC-PMACEKPBSA-N 2 1 390.531 3.916 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237544716 1042257818 /nfs/dbraw/zinc/25/78/18/1042257818.db2.gz QIDVJUYPNKMRSC-DHLKQENFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237544716 1042257825 /nfs/dbraw/zinc/25/78/25/1042257825.db2.gz QIDVJUYPNKMRSC-DHLKQENFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237544716 1042257828 /nfs/dbraw/zinc/25/78/28/1042257828.db2.gz QIDVJUYPNKMRSC-DHLKQENFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(-c3ccccc3)n1)C2 ZINC001237544716 1042257835 /nfs/dbraw/zinc/25/78/35/1042257835.db2.gz QIDVJUYPNKMRSC-DHLKQENFSA-N 2 1 391.559 3.929 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c1OCC3)CC2 ZINC001237743422 1042348886 /nfs/dbraw/zinc/34/88/86/1042348886.db2.gz SNEMHYDMWUFBSL-HXUWFJFHSA-N 2 1 398.572 3.939 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237902208 1042416131 /nfs/dbraw/zinc/41/61/31/1042416131.db2.gz VQJMZGIVAQGQHS-ILBGXUMGSA-N 2 1 398.591 3.761 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3C3CCOCC3)C2)C1 ZINC001237902208 1042416133 /nfs/dbraw/zinc/41/61/33/1042416133.db2.gz VQJMZGIVAQGQHS-ILBGXUMGSA-N 2 1 398.591 3.761 20 0 GHADMP Cc1ccc(O)cc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001238092398 1042489542 /nfs/dbraw/zinc/48/95/42/1042489542.db2.gz KQCLOJSFEQBVII-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(O)cc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001238092398 1042489544 /nfs/dbraw/zinc/48/95/44/1042489544.db2.gz KQCLOJSFEQBVII-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(O)cc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001238092398 1042489545 /nfs/dbraw/zinc/48/95/45/1042489545.db2.gz KQCLOJSFEQBVII-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(O)cc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001238092398 1042489546 /nfs/dbraw/zinc/48/95/46/1042489546.db2.gz KQCLOJSFEQBVII-VWNXMTODSA-N 2 1 384.564 3.661 20 0 GHADMP Fc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccc5cncn54)C3)C2)c1 ZINC001238104190 1042493713 /nfs/dbraw/zinc/49/37/13/1042493713.db2.gz MOULWLXQZBSWGB-QHCPKHFHSA-N 2 1 394.494 3.592 20 0 GHADMP Fc1cccc(N2CCOC[C@]3(CCC[N@@H+](Cc4cccc5c[nH+]cn54)C3)C2)c1 ZINC001238104190 1042493722 /nfs/dbraw/zinc/49/37/22/1042493722.db2.gz MOULWLXQZBSWGB-QHCPKHFHSA-N 2 1 394.494 3.592 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1Br ZINC001238318137 1042555140 /nfs/dbraw/zinc/55/51/40/1042555140.db2.gz QMVHSUUDZIDUDD-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP Cc1cc(-c2cccc(Cl)c2)ncc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001238541339 1042633905 /nfs/dbraw/zinc/63/39/05/1042633905.db2.gz ZPTPHKNUZFPITJ-UHFFFAOYSA-N 2 1 386.971 3.780 20 0 GHADMP Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238679133 1042681340 /nfs/dbraw/zinc/68/13/40/1042681340.db2.gz VXYLZSYILAGQNM-YADHBBJMSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(OC(C)C)cc(C)c1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238679133 1042681347 /nfs/dbraw/zinc/68/13/47/1042681347.db2.gz VXYLZSYILAGQNM-YADHBBJMSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(OC(C)C)cc(C)c1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238679133 1042681351 /nfs/dbraw/zinc/68/13/51/1042681351.db2.gz VXYLZSYILAGQNM-YADHBBJMSA-N 2 1 396.579 3.778 20 0 GHADMP Cc1cc(OC(C)C)cc(C)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001238679133 1042681356 /nfs/dbraw/zinc/68/13/56/1042681356.db2.gz VXYLZSYILAGQNM-YADHBBJMSA-N 2 1 396.579 3.778 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522523 1043447470 /nfs/dbraw/zinc/44/74/70/1043447470.db2.gz KXDZWUIMXQVJFX-HKUYNNGSSA-N 2 1 391.531 3.588 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(F)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256522523 1043447480 /nfs/dbraw/zinc/44/74/80/1043447480.db2.gz KXDZWUIMXQVJFX-HKUYNNGSSA-N 2 1 391.531 3.588 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256528102 1043456206 /nfs/dbraw/zinc/45/62/06/1043456206.db2.gz XLZTUUSFELOWOK-CVDCTZTESA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256528102 1043456218 /nfs/dbraw/zinc/45/62/18/1043456218.db2.gz XLZTUUSFELOWOK-CVDCTZTESA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530342 1043460213 /nfs/dbraw/zinc/46/02/13/1043460213.db2.gz BXPGSRXNUFWPIN-IRLDBZIGSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256530342 1043460215 /nfs/dbraw/zinc/46/02/15/1043460215.db2.gz BXPGSRXNUFWPIN-IRLDBZIGSA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530670 1043461797 /nfs/dbraw/zinc/46/17/97/1043461797.db2.gz DBQAAVLHWJOSBD-KNQAVFIVSA-N 2 1 385.596 3.709 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530670 1043461799 /nfs/dbraw/zinc/46/17/99/1043461799.db2.gz DBQAAVLHWJOSBD-KNQAVFIVSA-N 2 1 385.596 3.709 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256536216 1043479512 /nfs/dbraw/zinc/47/95/12/1043479512.db2.gz JLYSJEHLCOFZRQ-NFBKMPQASA-N 2 1 393.575 3.998 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ncccc3F)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256538619 1043486841 /nfs/dbraw/zinc/48/68/41/1043486841.db2.gz UMKVREJPFBZFNO-FPOVZHCZSA-N 2 1 397.538 3.912 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541796 1043492974 /nfs/dbraw/zinc/49/29/74/1043492974.db2.gz JCFDYNSDDSBWEX-PZUNEJSGSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541796 1043492988 /nfs/dbraw/zinc/49/29/88/1043492988.db2.gz JCFDYNSDDSBWEX-PZUNEJSGSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)C1 ZINC001256541796 1043492998 /nfs/dbraw/zinc/49/29/98/1043492998.db2.gz JCFDYNSDDSBWEX-PZUNEJSGSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256550680 1043513731 /nfs/dbraw/zinc/51/37/31/1043513731.db2.gz NFFBLPLTXBOOMA-JCTONOIOSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256550680 1043513736 /nfs/dbraw/zinc/51/37/36/1043513736.db2.gz NFFBLPLTXBOOMA-JCTONOIOSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256550680 1043513739 /nfs/dbraw/zinc/51/37/39/1043513739.db2.gz NFFBLPLTXBOOMA-JCTONOIOSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256550680 1043513746 /nfs/dbraw/zinc/51/37/46/1043513746.db2.gz NFFBLPLTXBOOMA-JCTONOIOSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@H](n2nc(C(F)(F)F)c3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256552937 1043519376 /nfs/dbraw/zinc/51/93/76/1043519376.db2.gz DIFTZPMBSVGZLQ-GDBMZVCRSA-N 2 1 378.442 3.773 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557300 1043528399 /nfs/dbraw/zinc/52/83/99/1043528399.db2.gz LSJWMXBFNFSAAK-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256557300 1043528407 /nfs/dbraw/zinc/52/84/07/1043528407.db2.gz LSJWMXBFNFSAAK-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH+]3CCc4ccccc4[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256560667 1043534205 /nfs/dbraw/zinc/53/42/05/1043534205.db2.gz SBYBTJHSUJXKRB-JHMXWDHMSA-N 2 1 375.560 3.955 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559541 1043534634 /nfs/dbraw/zinc/53/46/34/1043534634.db2.gz LSFIVWQIQPXMEW-WLRLJWMZSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256559541 1043534641 /nfs/dbraw/zinc/53/46/41/1043534641.db2.gz LSFIVWQIQPXMEW-WLRLJWMZSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256559541 1043534648 /nfs/dbraw/zinc/53/46/48/1043534648.db2.gz LSFIVWQIQPXMEW-WLRLJWMZSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256559541 1043534659 /nfs/dbraw/zinc/53/46/59/1043534659.db2.gz LSFIVWQIQPXMEW-WLRLJWMZSA-N 2 1 385.552 3.591 20 0 GHADMP CC(C)(C)[NH+]1CCC(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001256571689 1043544997 /nfs/dbraw/zinc/54/49/97/1043544997.db2.gz DAPLCVYPOQQOPZ-UHFFFAOYSA-N 2 1 391.625 3.678 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256596474 1043561990 /nfs/dbraw/zinc/56/19/90/1043561990.db2.gz LGCSDIVWHXNZRD-UHFFFAOYSA-N 2 1 396.554 3.782 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC001256611915 1043576040 /nfs/dbraw/zinc/57/60/40/1043576040.db2.gz ZTFFHHFILCONDD-ILBGXUMGSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)C[C@H]32)cc1 ZINC001256611915 1043576046 /nfs/dbraw/zinc/57/60/46/1043576046.db2.gz ZTFFHHFILCONDD-ILBGXUMGSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC001256613868 1043578982 /nfs/dbraw/zinc/57/89/82/1043578982.db2.gz XIZVDOFWDLAFEV-ILBGXUMGSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@H+]2C[C@H]3CCN(C4CC[NH+](Cc5ccccc5)CC4)[C@@H]3C2)cc1 ZINC001256613868 1043578988 /nfs/dbraw/zinc/57/89/88/1043578988.db2.gz XIZVDOFWDLAFEV-ILBGXUMGSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256696912 1043628533 /nfs/dbraw/zinc/62/85/33/1043628533.db2.gz QAIVVAOKELEBHR-STEQJIOHSA-N 3 1 397.607 3.618 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256696912 1043628545 /nfs/dbraw/zinc/62/85/45/1043628545.db2.gz QAIVVAOKELEBHR-STEQJIOHSA-N 3 1 397.607 3.618 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C2CCC([NH+]4CCOCC4)CC2)C3)cc1 ZINC001256696912 1043628553 /nfs/dbraw/zinc/62/85/53/1043628553.db2.gz QAIVVAOKELEBHR-STEQJIOHSA-N 3 1 397.607 3.618 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)CCO2)cc1 ZINC001256792341 1043654065 /nfs/dbraw/zinc/65/40/65/1043654065.db2.gz JACOEURTEZVZEV-VPBXCIAMSA-N 2 1 397.607 3.835 20 0 GHADMP C[C@@H](Cc1ccccc1Br)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001256842808 1043692633 /nfs/dbraw/zinc/69/26/33/1043692633.db2.gz WFXBRUFFSQMTJO-AWEZNQCLSA-N 2 1 380.330 3.510 20 0 GHADMP c1ccc(CN2CCC[C@]23CC[N@H+](C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001256861873 1043707369 /nfs/dbraw/zinc/70/73/69/1043707369.db2.gz DGEKMVHURZRLPJ-XMMPIXPASA-N 2 1 376.548 3.791 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@]23CCN(C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001256861873 1043707379 /nfs/dbraw/zinc/70/73/79/1043707379.db2.gz DGEKMVHURZRLPJ-XMMPIXPASA-N 2 1 376.548 3.791 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]23CCN(C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001256861873 1043707395 /nfs/dbraw/zinc/70/73/95/1043707395.db2.gz DGEKMVHURZRLPJ-XMMPIXPASA-N 2 1 376.548 3.791 20 0 GHADMP CC[NH+](CC)C1CC[NH+](C2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256889705 1043724304 /nfs/dbraw/zinc/72/43/04/1043724304.db2.gz JGUHAADGZZNQFK-UHFFFAOYSA-N 2 1 384.490 3.875 20 0 GHADMP CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256903948 1043731418 /nfs/dbraw/zinc/73/14/18/1043731418.db2.gz GWGDGZWIAZYTFC-RQTOMXEWSA-N 2 1 397.607 3.809 20 0 GHADMP CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256903948 1043731428 /nfs/dbraw/zinc/73/14/28/1043731428.db2.gz GWGDGZWIAZYTFC-RQTOMXEWSA-N 2 1 397.607 3.809 20 0 GHADMP COc1ccc(CC[NH+]2CCC(N[C@@H]3CCC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC001256910185 1043737697 /nfs/dbraw/zinc/73/76/97/1043737697.db2.gz YGIJGGWBZHAHRE-JOCHJYFZSA-N 2 1 385.596 3.699 20 0 GHADMP COC(=O)CC1CCC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001256986362 1043786602 /nfs/dbraw/zinc/78/66/02/1043786602.db2.gz MASHNLZTJHEIOK-XEKJVIKOSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001256986362 1043786611 /nfs/dbraw/zinc/78/66/11/1043786611.db2.gz MASHNLZTJHEIOK-XEKJVIKOSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001256986362 1043786621 /nfs/dbraw/zinc/78/66/21/1043786621.db2.gz MASHNLZTJHEIOK-XEKJVIKOSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001256986362 1043786630 /nfs/dbraw/zinc/78/66/30/1043786630.db2.gz MASHNLZTJHEIOK-XEKJVIKOSA-N 2 1 399.579 3.736 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001257201868 1043933385 /nfs/dbraw/zinc/93/33/85/1043933385.db2.gz KSBRMPNHXVARQW-UHFFFAOYSA-N 2 1 387.568 3.942 20 0 GHADMP CCOCC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C(C)C)CC1 ZINC001257223813 1043941413 /nfs/dbraw/zinc/94/14/13/1043941413.db2.gz DDAVKZXXRFCDFA-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP CCOCC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C(C)C)CC1 ZINC001257223813 1043941415 /nfs/dbraw/zinc/94/14/15/1043941415.db2.gz DDAVKZXXRFCDFA-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP COc1ccc(C[C@@H](C)N(C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268553 1043949435 /nfs/dbraw/zinc/94/94/35/1043949435.db2.gz NFBZFOFPBZFATH-HYBUGGRVSA-N 2 1 382.548 3.849 20 0 GHADMP COc1ccc(C[C@@H](C)N(C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC001257268553 1043949439 /nfs/dbraw/zinc/94/94/39/1043949439.db2.gz NFBZFOFPBZFATH-HYBUGGRVSA-N 2 1 382.548 3.849 20 0 GHADMP CC1(C)CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001293053117 1044003603 /nfs/dbraw/zinc/00/36/03/1044003603.db2.gz NZGDTKIDIXVHTN-QHCPKHFHSA-N 2 1 391.559 3.774 20 0 GHADMP CC1(C)CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001293053117 1044003606 /nfs/dbraw/zinc/00/36/06/1044003606.db2.gz NZGDTKIDIXVHTN-QHCPKHFHSA-N 2 1 391.559 3.774 20 0 GHADMP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001293053117 1044003610 /nfs/dbraw/zinc/00/36/10/1044003610.db2.gz NZGDTKIDIXVHTN-QHCPKHFHSA-N 2 1 391.559 3.774 20 0 GHADMP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001293053117 1044003614 /nfs/dbraw/zinc/00/36/14/1044003614.db2.gz NZGDTKIDIXVHTN-QHCPKHFHSA-N 2 1 391.559 3.774 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813769 1044194722 /nfs/dbraw/zinc/19/47/22/1044194722.db2.gz BZUANRFXCQCUBN-VLVHOKLOSA-N 2 1 391.600 3.830 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813769 1044194734 /nfs/dbraw/zinc/19/47/34/1044194734.db2.gz BZUANRFXCQCUBN-VLVHOKLOSA-N 2 1 391.600 3.830 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C[C@@H]2C1 ZINC001257813769 1044194738 /nfs/dbraw/zinc/19/47/38/1044194738.db2.gz BZUANRFXCQCUBN-VLVHOKLOSA-N 2 1 391.600 3.830 20 0 GHADMP CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279050479 1044208375 /nfs/dbraw/zinc/20/83/75/1044208375.db2.gz PJFIQVMCCCBWSX-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279050479 1044208390 /nfs/dbraw/zinc/20/83/90/1044208390.db2.gz PJFIQVMCCCBWSX-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP CC1CCC([NH+]2CCN(C(=O)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)CC2)CC1 ZINC001293495885 1044214110 /nfs/dbraw/zinc/21/41/10/1044214110.db2.gz MTICXOWKIPOODV-RZMWZJFBSA-N 2 1 397.607 3.664 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](n2c[nH+]cc2CC[NH3+])C[C@H]1Cc1ccccc1 ZINC001257967938 1044287393 /nfs/dbraw/zinc/28/73/93/1044287393.db2.gz CJNZOJSOEAGSFM-UYAOXDASSA-N 2 1 384.524 3.568 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC001293678023 1044291259 /nfs/dbraw/zinc/29/12/59/1044291259.db2.gz QUCYNCUAPJZKAH-WIYYLYMNSA-N 2 1 383.536 3.648 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC001293678023 1044291273 /nfs/dbraw/zinc/29/12/73/1044291273.db2.gz QUCYNCUAPJZKAH-WIYYLYMNSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)C[NH+]1CCC(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001258014329 1044342315 /nfs/dbraw/zinc/34/23/15/1044342315.db2.gz GJNIKAWLRPTRLW-UHFFFAOYSA-N 2 1 396.579 3.785 20 0 GHADMP CC(C)C[NH+]1CCC(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CC1 ZINC001258014329 1044342330 /nfs/dbraw/zinc/34/23/30/1044342330.db2.gz GJNIKAWLRPTRLW-UHFFFAOYSA-N 2 1 396.579 3.785 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258063221 1044376588 /nfs/dbraw/zinc/37/65/88/1044376588.db2.gz FDZXTLWAEAHVQQ-RBUKOAKNSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258063221 1044376608 /nfs/dbraw/zinc/37/66/08/1044376608.db2.gz FDZXTLWAEAHVQQ-RBUKOAKNSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)C[C@H](C)C[C@@H](C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258063221 1044376625 /nfs/dbraw/zinc/37/66/25/1044376625.db2.gz FDZXTLWAEAHVQQ-RBUKOAKNSA-N 2 1 376.589 3.750 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258132527 1044417842 /nfs/dbraw/zinc/41/78/42/1044417842.db2.gz XYCQZIYGTVGQHA-BVSLBCMMSA-N 2 1 399.579 3.681 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258134395 1044419581 /nfs/dbraw/zinc/41/95/81/1044419581.db2.gz GNFWTNYCPXPJLP-UHFFFAOYSA-N 2 1 387.568 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258140070 1044425649 /nfs/dbraw/zinc/42/56/49/1044425649.db2.gz QQVOFFPDHHEMAE-ILWGZMRPSA-N 2 1 399.579 3.539 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258139299 1044425883 /nfs/dbraw/zinc/42/58/83/1044425883.db2.gz FEXRJXOIRIOZND-OYRHEFFESA-N 2 1 387.568 3.681 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[N@@H+]2C2CC[NH+](CCc3ccccc3)CC2)N1c1ccsc1 ZINC001258141683 1044427566 /nfs/dbraw/zinc/42/75/66/1044427566.db2.gz MCLXDIXBCPELID-FCHUYYIVSA-N 2 1 395.572 3.635 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[N@H+]2C2CC[NH+](CCc3ccccc3)CC2)N1c1ccsc1 ZINC001258141683 1044427584 /nfs/dbraw/zinc/42/75/84/1044427584.db2.gz MCLXDIXBCPELID-FCHUYYIVSA-N 2 1 395.572 3.635 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001258393601 1044531346 /nfs/dbraw/zinc/53/13/46/1044531346.db2.gz XDPPSGMULDCBQE-AGILITTLSA-N 2 1 399.623 3.945 20 0 GHADMP COc1ccc(CC[C@@H](C)[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001258401521 1044537819 /nfs/dbraw/zinc/53/78/19/1044537819.db2.gz MVUDUTINVAPBOO-HXUWFJFHSA-N 2 1 396.579 3.757 20 0 GHADMP C[C@@H](Cc1cccnc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001258626006 1044674649 /nfs/dbraw/zinc/67/46/49/1044674649.db2.gz WNTANJULDBMHLM-AZUAARDMSA-N 2 1 385.577 3.830 20 0 GHADMP O=C(c1ccccc1)N1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001258636541 1044680654 /nfs/dbraw/zinc/68/06/54/1044680654.db2.gz RDNHPYAJGYIQLN-JOCHJYFZSA-N 2 1 391.559 3.793 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258657440 1044695600 /nfs/dbraw/zinc/69/56/00/1044695600.db2.gz XMYYXGHFVFQBOW-UBFVSLLYSA-N 2 1 399.623 3.659 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258657440 1044695608 /nfs/dbraw/zinc/69/56/08/1044695608.db2.gz XMYYXGHFVFQBOW-UBFVSLLYSA-N 2 1 399.623 3.659 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258657440 1044695618 /nfs/dbraw/zinc/69/56/18/1044695618.db2.gz XMYYXGHFVFQBOW-UBFVSLLYSA-N 2 1 399.623 3.659 20 0 GHADMP CCC[NH+]1CCC([NH2+]Cc2ccc(CC(=O)OCc3ccccc3)cc2)CC1 ZINC001258768745 1044754899 /nfs/dbraw/zinc/75/48/99/1044754899.db2.gz UYDIKFFSMIKBBP-UHFFFAOYSA-N 2 1 380.532 3.937 20 0 GHADMP COc1cc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC001258856129 1044795691 /nfs/dbraw/zinc/79/56/91/1044795691.db2.gz WAIJEFBKFFCYJY-AZUAARDMSA-N 2 1 398.547 3.755 20 0 GHADMP COc1cc(C[C@H](C)[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)cc(OC)c1OC ZINC001258875058 1044821050 /nfs/dbraw/zinc/82/10/50/1044821050.db2.gz XELHBCTYCWUSDS-IHPCNDPISA-N 2 1 390.568 3.982 20 0 GHADMP COc1cc(C[C@H](C)[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)cc(OC)c1OC ZINC001258875058 1044821071 /nfs/dbraw/zinc/82/10/71/1044821071.db2.gz XELHBCTYCWUSDS-IHPCNDPISA-N 2 1 390.568 3.982 20 0 GHADMP COc1cc(C[C@H](C)[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC001258875058 1044821086 /nfs/dbraw/zinc/82/10/86/1044821086.db2.gz XELHBCTYCWUSDS-IHPCNDPISA-N 2 1 390.568 3.982 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001297114289 1045455128 /nfs/dbraw/zinc/45/51/28/1045455128.db2.gz FBVBDAPVDRQVJZ-FCHUYYIVSA-N 2 1 387.543 3.703 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001297114291 1045455405 /nfs/dbraw/zinc/45/54/05/1045455405.db2.gz FBVBDAPVDRQVJZ-VXKWHMMOSA-N 2 1 387.543 3.703 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001298378659 1045790858 /nfs/dbraw/zinc/79/08/58/1045790858.db2.gz MSZBSPXHKCIZAH-XZOQPEGZSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001298378659 1045790869 /nfs/dbraw/zinc/79/08/69/1045790869.db2.gz MSZBSPXHKCIZAH-XZOQPEGZSA-N 2 1 385.596 3.520 20 0 GHADMP CC(C)C[C@@H]1C[NH+](CCCc2ccccc2)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001298378659 1045790885 /nfs/dbraw/zinc/79/08/85/1045790885.db2.gz MSZBSPXHKCIZAH-XZOQPEGZSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[C@H](n2cncn2)C1 ZINC001261240221 1045936060 /nfs/dbraw/zinc/93/60/60/1045936060.db2.gz PTTYJFBFFXVZLW-YPIGPJMWSA-N 2 1 381.568 3.900 20 0 GHADMP CC(C)[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001300848203 1046206209 /nfs/dbraw/zinc/20/62/09/1046206209.db2.gz OOUKUHQCBOUKKC-QHCPKHFHSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCCC1 ZINC001301486011 1046563128 /nfs/dbraw/zinc/56/31/28/1046563128.db2.gz IHCWJBZEPPOZRM-IFMALSPDSA-N 2 1 383.580 3.669 20 0 GHADMP CC(C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001302682124 1047040111 /nfs/dbraw/zinc/04/01/11/1047040111.db2.gz YYSBNNOJUIRMLI-HXUWFJFHSA-N 2 1 390.620 3.587 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)cc1C(F)(F)F ZINC001303507995 1047407566 /nfs/dbraw/zinc/40/75/66/1047407566.db2.gz AQSYDVFDHIPTGJ-QGZVFWFLSA-N 2 1 395.429 3.509 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)cc1C(F)(F)F ZINC001303507995 1047407574 /nfs/dbraw/zinc/40/75/74/1047407574.db2.gz AQSYDVFDHIPTGJ-QGZVFWFLSA-N 2 1 395.429 3.509 20 0 GHADMP Brc1ncc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001279159318 1047733502 /nfs/dbraw/zinc/73/35/02/1047733502.db2.gz XYKAYZSQGADNKY-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP Cc1cc(Br)ccc1C[NH2+][C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001279322663 1047767619 /nfs/dbraw/zinc/76/76/19/1047767619.db2.gz PEIZILPHPPZTPK-UXHICEINSA-N 2 1 394.401 3.844 20 0 GHADMP Fc1ccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c(Cl)c1 ZINC001279333321 1047771380 /nfs/dbraw/zinc/77/13/80/1047771380.db2.gz WJPFGKFDQZDCSM-UHFFFAOYSA-N 2 1 376.907 3.664 20 0 GHADMP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(Br)cc3F)(C1)CCC2 ZINC001279348222 1047775867 /nfs/dbraw/zinc/77/58/67/1047775867.db2.gz AMPQUFCOOHBCPB-RBUKOAKNSA-N 2 1 398.364 3.674 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3CC[NH+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279477688 1047819540 /nfs/dbraw/zinc/81/95/40/1047819540.db2.gz ZQVSLWATHXNDGQ-HDICACEKSA-N 3 1 375.523 3.705 20 0 GHADMP C[NH+]1CCC(C)(C[NH+]2C[C@@H]3CC[N@@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279477688 1047819547 /nfs/dbraw/zinc/81/95/47/1047819547.db2.gz ZQVSLWATHXNDGQ-HDICACEKSA-N 3 1 375.523 3.705 20 0 GHADMP C[NH+]1CCC(C)(C[NH+]2C[C@@H]3CC[N@H+](CCCC(F)(F)F)CC[C@@H]3C2)CC1 ZINC001279477688 1047819553 /nfs/dbraw/zinc/81/95/53/1047819553.db2.gz ZQVSLWATHXNDGQ-HDICACEKSA-N 3 1 375.523 3.705 20 0 GHADMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)c(F)c(Cl)c3)C[C@H]2CC1 ZINC001279647098 1047888530 /nfs/dbraw/zinc/88/85/30/1047888530.db2.gz DDNLWJYWJHURCK-IYBDPMFKSA-N 2 1 388.358 3.838 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)c(F)c(Cl)c3)C[C@H]2CC1 ZINC001279647098 1047888542 /nfs/dbraw/zinc/88/85/42/1047888542.db2.gz DDNLWJYWJHURCK-IYBDPMFKSA-N 2 1 388.358 3.838 20 0 GHADMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)c(F)c(Cl)c3)C[C@H]2CC1 ZINC001279647098 1047888556 /nfs/dbraw/zinc/88/85/56/1047888556.db2.gz DDNLWJYWJHURCK-IYBDPMFKSA-N 2 1 388.358 3.838 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(Cl)c(F)c(Cl)c3)C[C@H]2CC1 ZINC001279647098 1047888568 /nfs/dbraw/zinc/88/85/68/1047888568.db2.gz DDNLWJYWJHURCK-IYBDPMFKSA-N 2 1 388.358 3.838 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(Cl)c(F)c(Cl)c3)C[C@H]2CC1 ZINC001279647098 1047888579 /nfs/dbraw/zinc/88/85/79/1047888579.db2.gz DDNLWJYWJHURCK-IYBDPMFKSA-N 2 1 388.358 3.838 20 0 GHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(-n3cccn3)c(Br)c1)CC2 ZINC001279659074 1047901880 /nfs/dbraw/zinc/90/18/80/1047901880.db2.gz BFVSCVYIZQWWGG-UHFFFAOYSA-N 2 1 389.341 3.553 20 0 GHADMP CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cc(Cl)cc(Cl)c1F)CC2 ZINC001279804147 1047955068 /nfs/dbraw/zinc/95/50/68/1047955068.db2.gz SATZZCYUQGKZRX-UHFFFAOYSA-N 2 1 388.358 3.982 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(C)c(Cl)cc3F)(C1)CCC2 ZINC001280116305 1048088983 /nfs/dbraw/zinc/08/89/83/1048088983.db2.gz XPGUBXQINTXOKN-UXHICEINSA-N 2 1 384.923 3.933 20 0 GHADMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c(Cl)n1 ZINC001280184237 1048121211 /nfs/dbraw/zinc/12/12/11/1048121211.db2.gz KQYZDSDGLUETCE-HDICACEKSA-N 2 1 378.992 3.564 20 0 GHADMP CC(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c(Cl)n1 ZINC001280184237 1048121223 /nfs/dbraw/zinc/12/12/23/1048121223.db2.gz KQYZDSDGLUETCE-HDICACEKSA-N 2 1 378.992 3.564 20 0 GHADMP CC(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c(Cl)n1 ZINC001280184237 1048121232 /nfs/dbraw/zinc/12/12/32/1048121232.db2.gz KQYZDSDGLUETCE-HDICACEKSA-N 2 1 378.992 3.564 20 0 GHADMP CC(C)c1ccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(Cl)n1 ZINC001280184237 1048121243 /nfs/dbraw/zinc/12/12/43/1048121243.db2.gz KQYZDSDGLUETCE-HDICACEKSA-N 2 1 378.992 3.564 20 0 GHADMP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(Cl)n1 ZINC001280184237 1048121255 /nfs/dbraw/zinc/12/12/55/1048121255.db2.gz KQYZDSDGLUETCE-HDICACEKSA-N 2 1 378.992 3.564 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH2+][C@@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480379 1048232995 /nfs/dbraw/zinc/23/29/95/1048232995.db2.gz DBSFKAIKTPJATR-VMAPGKTHSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCN[C@@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480379 1048233007 /nfs/dbraw/zinc/23/30/07/1048233007.db2.gz DBSFKAIKTPJATR-VMAPGKTHSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCN[C@@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480379 1048233016 /nfs/dbraw/zinc/23/30/16/1048233016.db2.gz DBSFKAIKTPJATR-VMAPGKTHSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH2+][C@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480377 1048233287 /nfs/dbraw/zinc/23/32/87/1048233287.db2.gz DBSFKAIKTPJATR-QVXKZJQXSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCN[C@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480377 1048233288 /nfs/dbraw/zinc/23/32/88/1048233288.db2.gz DBSFKAIKTPJATR-QVXKZJQXSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCN[C@H](c5ccccc5)C4)[C@@H]3C2)cc1 ZINC000643480377 1048233301 /nfs/dbraw/zinc/23/33/01/1048233301.db2.gz DBSFKAIKTPJATR-QVXKZJQXSA-N 2 1 375.560 3.980 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001288159929 1048995643 /nfs/dbraw/zinc/99/56/43/1048995643.db2.gz TVDZNYGYQMOODK-QHCPKHFHSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1)c1ccccc1 ZINC001307518534 1049362092 /nfs/dbraw/zinc/36/20/92/1049362092.db2.gz SAFURYOWXODKPZ-UKILVPOCSA-N 2 1 393.575 3.750 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)C2CCCCC2)CC1 ZINC001307720890 1049534607 /nfs/dbraw/zinc/53/46/07/1049534607.db2.gz APVNHBIWDIEXMH-FQEVSTJZSA-N 2 1 385.596 3.976 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307883227 1049664697 /nfs/dbraw/zinc/66/46/97/1049664697.db2.gz CMYFBFRYLVRBIR-JDBUVZGPSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307883227 1049664702 /nfs/dbraw/zinc/66/47/02/1049664702.db2.gz CMYFBFRYLVRBIR-JDBUVZGPSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307883227 1049664707 /nfs/dbraw/zinc/66/47/07/1049664707.db2.gz CMYFBFRYLVRBIR-JDBUVZGPSA-N 2 1 393.575 3.877 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCN3CCc4ccccc43)cc2)C[C@H](C)O1 ZINC001307885650 1049666320 /nfs/dbraw/zinc/66/63/20/1049666320.db2.gz PBJIRMNFRBFERT-OYRHEFFESA-N 2 1 393.575 3.790 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCN3CCc4ccccc43)cc2)C[C@H](C)O1 ZINC001307885650 1049666329 /nfs/dbraw/zinc/66/63/29/1049666329.db2.gz PBJIRMNFRBFERT-OYRHEFFESA-N 2 1 393.575 3.790 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCN3CCc4ccccc43)cc2)C[C@H](C)O1 ZINC001307885650 1049666342 /nfs/dbraw/zinc/66/63/42/1049666342.db2.gz PBJIRMNFRBFERT-OYRHEFFESA-N 2 1 393.575 3.790 20 0 GHADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC001307911417 1049689090 /nfs/dbraw/zinc/68/90/90/1049689090.db2.gz UDFDEWRWYHXJKW-PMACEKPBSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COc1cc(C)ccc1Cl ZINC001307976209 1049734393 /nfs/dbraw/zinc/73/43/93/1049734393.db2.gz SHGGCBMEQUKNCF-HXUWFJFHSA-N 2 1 390.955 3.972 20 0 GHADMP O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001308036835 1049786717 /nfs/dbraw/zinc/78/67/17/1049786717.db2.gz UXNLINNPXXLJAY-QFIPXVFZSA-N 2 1 392.547 3.918 20 0 GHADMP CC(C)[C@@](O)(C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)c1ccccc1 ZINC001308107399 1049853057 /nfs/dbraw/zinc/85/30/57/1049853057.db2.gz PBASBRRJBBONLU-VWLOTQADSA-N 2 1 396.575 3.755 20 0 GHADMP CC(C)[C@@](O)(C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)c1ccccc1 ZINC001308107399 1049853071 /nfs/dbraw/zinc/85/30/71/1049853071.db2.gz PBASBRRJBBONLU-VWLOTQADSA-N 2 1 396.575 3.755 20 0 GHADMP CC(C)[C@@](O)(C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1)c1ccccc1 ZINC001308107399 1049853086 /nfs/dbraw/zinc/85/30/86/1049853086.db2.gz PBASBRRJBBONLU-VWLOTQADSA-N 2 1 396.575 3.755 20 0 GHADMP CC(C)[C@@](O)(C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1)c1ccccc1 ZINC001308107399 1049853099 /nfs/dbraw/zinc/85/30/99/1049853099.db2.gz PBASBRRJBBONLU-VWLOTQADSA-N 2 1 396.575 3.755 20 0 GHADMP CC(C)(C)OC(=O)NC[C@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@@H]1CCCC2 ZINC001308172134 1049900112 /nfs/dbraw/zinc/90/01/12/1049900112.db2.gz CMZHTOWCPJVOSY-SIKLNZKXSA-N 2 1 379.589 3.879 20 0 GHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001308224037 1049918492 /nfs/dbraw/zinc/91/84/92/1049918492.db2.gz DBHZLWJAPJKQIO-CABCVRRESA-N 2 1 395.510 3.932 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC001308224037 1049918494 /nfs/dbraw/zinc/91/84/94/1049918494.db2.gz DBHZLWJAPJKQIO-CABCVRRESA-N 2 1 395.510 3.932 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cc(C)c(C4OCCO4)cc3C)CC2)nc(C)[nH+]1 ZINC001308293710 1049940050 /nfs/dbraw/zinc/94/00/50/1049940050.db2.gz WNCMBEQBTZGYQN-UHFFFAOYSA-N 2 1 396.535 3.514 20 0 GHADMP CN(c1ccccc1CN[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CC[NH+](C)CC1 ZINC001308292651 1049940152 /nfs/dbraw/zinc/94/01/52/1049940152.db2.gz KMYCIDISCHUEAI-JOCHJYFZSA-N 2 1 384.612 3.571 20 0 GHADMP CN(c1ccccc1C[NH2+][C@@H]1CCN(CC2CCCC2)C1)C1CC[NH+](C)CC1 ZINC001308292651 1049940155 /nfs/dbraw/zinc/94/01/55/1049940155.db2.gz KMYCIDISCHUEAI-JOCHJYFZSA-N 2 1 384.612 3.571 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001308367108 1049959726 /nfs/dbraw/zinc/95/97/26/1049959726.db2.gz RIMWTZVZFSPOQV-KRWDZBQOSA-N 2 1 382.401 3.701 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(Br)c1O ZINC001308367968 1049960219 /nfs/dbraw/zinc/96/02/19/1049960219.db2.gz KLWKGSCCGDBZBC-HIFRSBDPSA-N 2 1 397.357 3.906 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Br)c(Br)c3)[C@H]2C1 ZINC001308555764 1050007785 /nfs/dbraw/zinc/00/77/85/1050007785.db2.gz XPVLRXXJWMMYBA-HUBLWGQQSA-N 2 1 388.147 3.641 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)CC1 ZINC001308743849 1050077986 /nfs/dbraw/zinc/07/79/86/1050077986.db2.gz NRXANIKREKIGFI-BNSKQIAJSA-N 2 1 391.600 3.828 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](CC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)C2)CC1 ZINC001308743850 1050078010 /nfs/dbraw/zinc/07/80/10/1050078010.db2.gz NRXANIKREKIGFI-VAJWBBEOSA-N 2 1 391.600 3.828 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(F)c1OC(F)(F)F ZINC001308743353 1050078052 /nfs/dbraw/zinc/07/80/52/1050078052.db2.gz UWNHBTCURRVZLP-MRXNPFEDSA-N 2 1 391.453 3.572 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001308976970 1050237740 /nfs/dbraw/zinc/23/77/40/1050237740.db2.gz FVYGQYRBQFRPGI-SWBPCFCJSA-N 2 1 379.589 3.684 20 0 GHADMP c1nn(Cc2ccccc2)c2c1[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCC2 ZINC001327681346 1050251827 /nfs/dbraw/zinc/25/18/27/1050251827.db2.gz YQQGNMISWQGOOH-GGAORHGYSA-N 2 1 394.563 3.542 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2c(cccc2O)s1 ZINC001331568270 1051328549 /nfs/dbraw/zinc/32/85/49/1051328549.db2.gz YNQCHEULWLMSDO-SFHVURJKSA-N 2 1 382.529 3.853 20 0 GHADMP Cc1cc(NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cn2cc[nH+]c12 ZINC001310806186 1051606468 /nfs/dbraw/zinc/60/64/68/1051606468.db2.gz GIKNFQTYNBSGKE-UHFFFAOYSA-N 2 1 391.519 3.815 20 0 GHADMP Cc1cc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cn2cc[nH+]c12 ZINC001310806186 1051606476 /nfs/dbraw/zinc/60/64/76/1051606476.db2.gz GIKNFQTYNBSGKE-UHFFFAOYSA-N 2 1 391.519 3.815 20 0 GHADMP CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001311344445 1052039522 /nfs/dbraw/zinc/03/95/22/1052039522.db2.gz KVFVRGPOMZFDJR-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001311360610 1052057773 /nfs/dbraw/zinc/05/77/73/1052057773.db2.gz UIEORWPLFMNYDA-SLFFLAALSA-N 2 1 388.600 3.692 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC001311400783 1052100730 /nfs/dbraw/zinc/10/07/30/1052100730.db2.gz SXUHZAKZJRZSTA-GEOZSUPMSA-N 2 1 392.632 3.649 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cc1 ZINC001311588425 1052267426 /nfs/dbraw/zinc/26/74/26/1052267426.db2.gz MYKIOHDWLCCBSF-JOCHJYFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cc1 ZINC001311588425 1052267432 /nfs/dbraw/zinc/26/74/32/1052267432.db2.gz MYKIOHDWLCCBSF-JOCHJYFZSA-N 2 1 380.536 3.514 20 0 GHADMP C[N@@H+](CCC(F)(F)F)[C@H](CNc1nccnc1C[NH3+])c1ccc(Cl)cc1 ZINC001337157507 1052412139 /nfs/dbraw/zinc/41/21/39/1052412139.db2.gz KFRUDQCNVAKOHI-OAHLLOKOSA-N 2 1 387.837 3.626 20 0 GHADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001312140339 1052594779 /nfs/dbraw/zinc/59/47/79/1052594779.db2.gz IBVXHCXWRBHOGI-FQEVSTJZSA-N 2 1 378.605 3.595 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC001312165254 1052609599 /nfs/dbraw/zinc/60/95/99/1052609599.db2.gz BNAYUUPYNBCCQX-AZUAARDMSA-N 2 1 386.584 3.602 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@H]1C ZINC001312767599 1052863652 /nfs/dbraw/zinc/86/36/52/1052863652.db2.gz INLKTYHHPUAJGI-AJAVRQNISA-N 2 1 398.595 3.696 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001312792601 1052872322 /nfs/dbraw/zinc/87/23/22/1052872322.db2.gz DUOXWUKORAEOJS-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001312792601 1052872327 /nfs/dbraw/zinc/87/23/27/1052872327.db2.gz DUOXWUKORAEOJS-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001312792601 1052872331 /nfs/dbraw/zinc/87/23/31/1052872331.db2.gz DUOXWUKORAEOJS-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001312815597 1052879092 /nfs/dbraw/zinc/87/90/92/1052879092.db2.gz MDJWFBJVRYJASU-UNMCSNQZSA-N 2 1 386.584 3.557 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC001313003776 1052931327 /nfs/dbraw/zinc/93/13/27/1052931327.db2.gz TUNHYOIDFOEYOW-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001313003776 1052931329 /nfs/dbraw/zinc/93/13/29/1052931329.db2.gz TUNHYOIDFOEYOW-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001313003776 1052931333 /nfs/dbraw/zinc/93/13/33/1052931333.db2.gz TUNHYOIDFOEYOW-NHCUHLMSSA-N 2 1 386.584 3.555 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001313023657 1052936529 /nfs/dbraw/zinc/93/65/29/1052936529.db2.gz PLNBUCGVQVFLRT-XZOQPEGZSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001313023657 1052936531 /nfs/dbraw/zinc/93/65/31/1052936531.db2.gz PLNBUCGVQVFLRT-XZOQPEGZSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001313023657 1052936532 /nfs/dbraw/zinc/93/65/32/1052936532.db2.gz PLNBUCGVQVFLRT-XZOQPEGZSA-N 2 1 398.595 3.747 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC001313416024 1053047730 /nfs/dbraw/zinc/04/77/30/1053047730.db2.gz PUJFOFPYNYUQBC-FDFHNCONSA-N 2 1 386.584 3.585 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC001313416022 1053047867 /nfs/dbraw/zinc/04/78/67/1053047867.db2.gz PUJFOFPYNYUQBC-BHIFYINESA-N 2 1 386.584 3.585 20 0 GHADMP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001319065696 1055018652 /nfs/dbraw/zinc/01/86/52/1055018652.db2.gz KXHYNRPGDOZMNP-JOCHJYFZSA-N 2 1 383.536 3.792 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001319065696 1055018664 /nfs/dbraw/zinc/01/86/64/1055018664.db2.gz KXHYNRPGDOZMNP-JOCHJYFZSA-N 2 1 383.536 3.792 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001319065696 1055018676 /nfs/dbraw/zinc/01/86/76/1055018676.db2.gz KXHYNRPGDOZMNP-JOCHJYFZSA-N 2 1 383.536 3.792 20 0 GHADMP CCC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001319065696 1055018686 /nfs/dbraw/zinc/01/86/86/1055018686.db2.gz KXHYNRPGDOZMNP-JOCHJYFZSA-N 2 1 383.536 3.792 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001319613181 1055358691 /nfs/dbraw/zinc/35/86/91/1055358691.db2.gz QNRWNXOUJVXPQE-NRSPTQNISA-N 2 1 389.584 3.832 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001319879133 1055518199 /nfs/dbraw/zinc/51/81/99/1055518199.db2.gz OMIZQCBBOMVHRL-FCEUIQTBSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[NH+]1[C@H](C)CC[C@H]1C ZINC001320627608 1055908125 /nfs/dbraw/zinc/90/81/25/1055908125.db2.gz CUHCKZGMSAHPPT-BRWVUGGUSA-N 2 1 383.540 3.749 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC001354115567 1056348932 /nfs/dbraw/zinc/34/89/32/1056348932.db2.gz BNABJCBWJAEYQF-OUJCMCIWSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001354115567 1056348951 /nfs/dbraw/zinc/34/89/51/1056348951.db2.gz BNABJCBWJAEYQF-OUJCMCIWSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001354115567 1056348969 /nfs/dbraw/zinc/34/89/69/1056348969.db2.gz BNABJCBWJAEYQF-OUJCMCIWSA-N 2 1 397.607 3.866 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC001321730956 1056378869 /nfs/dbraw/zinc/37/88/69/1056378869.db2.gz SQBMEDFTYRMMMF-HSZRJFAPSA-N 2 1 379.548 3.728 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4cc(OC)ccc4c3)CC2)CC1 ZINC000848063623 1056525833 /nfs/dbraw/zinc/52/58/33/1056525833.db2.gz PBOOZYXAEZECQY-UHFFFAOYSA-N 2 1 395.547 3.983 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC001322226407 1056581658 /nfs/dbraw/zinc/58/16/58/1056581658.db2.gz RUEDDKXDNCUNIA-RBUKOAKNSA-N 2 1 397.485 3.785 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC001322226407 1056581674 /nfs/dbraw/zinc/58/16/74/1056581674.db2.gz RUEDDKXDNCUNIA-RBUKOAKNSA-N 2 1 397.485 3.785 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC001322226405 1056582273 /nfs/dbraw/zinc/58/22/73/1056582273.db2.gz RUEDDKXDNCUNIA-MOPGFXCFSA-N 2 1 397.485 3.785 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC001322226405 1056582298 /nfs/dbraw/zinc/58/22/98/1056582298.db2.gz RUEDDKXDNCUNIA-MOPGFXCFSA-N 2 1 397.485 3.785 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccncc3)CC2)CC1 ZINC001322922893 1056888413 /nfs/dbraw/zinc/88/84/13/1056888413.db2.gz AFVFHNBPJSOFLW-VNXZQDSDSA-N 2 1 398.595 3.595 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccncc3)CC2)CC1 ZINC001322922893 1056888427 /nfs/dbraw/zinc/88/84/27/1056888427.db2.gz AFVFHNBPJSOFLW-VNXZQDSDSA-N 2 1 398.595 3.595 20 0 GHADMP Cn1c2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2oc1=O ZINC001325022880 1057264593 /nfs/dbraw/zinc/26/45/93/1057264593.db2.gz JFIFYHDTMVQDOA-SEJPIABJSA-N 2 1 391.515 3.807 20 0 GHADMP Cn1c2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2oc1=O ZINC001325022880 1057264598 /nfs/dbraw/zinc/26/45/98/1057264598.db2.gz JFIFYHDTMVQDOA-SEJPIABJSA-N 2 1 391.515 3.807 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000848897207 1057405080 /nfs/dbraw/zinc/40/50/80/1057405080.db2.gz GKANJTOTZXBAQW-BKYXTTCZSA-N 2 1 382.504 3.712 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000848897207 1057405081 /nfs/dbraw/zinc/40/50/81/1057405081.db2.gz GKANJTOTZXBAQW-BKYXTTCZSA-N 2 1 382.504 3.712 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001326097103 1057413910 /nfs/dbraw/zinc/41/39/10/1057413910.db2.gz JZWNAMGUVFULBM-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001326097103 1057413914 /nfs/dbraw/zinc/41/39/14/1057413914.db2.gz JZWNAMGUVFULBM-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001326097103 1057413918 /nfs/dbraw/zinc/41/39/18/1057413918.db2.gz JZWNAMGUVFULBM-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000849062840 1057572518 /nfs/dbraw/zinc/57/25/18/1057572518.db2.gz VGNMGVLTSYZXTI-KDURUIRLSA-N 2 1 394.563 3.987 20 0 GHADMP CCc1ccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000849063003 1057572790 /nfs/dbraw/zinc/57/27/90/1057572790.db2.gz MMTIYVRIEGSJMM-HDICACEKSA-N 2 1 380.536 3.995 20 0 GHADMP C[C@H](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1ccccc1 ZINC000849091121 1057590859 /nfs/dbraw/zinc/59/08/59/1057590859.db2.gz SSKGOOZECMQHQJ-QGZVFWFLSA-N 2 1 382.508 3.695 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c(C)o1 ZINC001337745085 1058246058 /nfs/dbraw/zinc/24/60/58/1058246058.db2.gz FZODPVUIQHDVCF-LJQANCHMSA-N 2 1 383.536 3.590 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c(C)o1 ZINC001337745085 1058246071 /nfs/dbraw/zinc/24/60/71/1058246071.db2.gz FZODPVUIQHDVCF-LJQANCHMSA-N 2 1 383.536 3.590 20 0 GHADMP COc1cccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)c1 ZINC001440374077 1058503999 /nfs/dbraw/zinc/50/39/99/1058503999.db2.gz POGZLJRAAOGWBE-PKTZIBPZSA-N 2 1 399.579 3.745 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001442925077 1059030697 /nfs/dbraw/zinc/03/06/97/1059030697.db2.gz PQLZESWYIQNNTL-GOSISDBHSA-N 2 1 382.552 3.533 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)[C@@H]1c1cccs1 ZINC001340106382 1059702263 /nfs/dbraw/zinc/70/22/63/1059702263.db2.gz SVONPHUTHNBTKF-QWFCFKBJSA-N 2 1 389.609 3.807 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ncoc2C2CC[NH2+]CC2)cc1 ZINC001340802268 1060138481 /nfs/dbraw/zinc/13/84/81/1060138481.db2.gz FTJCLTXQQBOLFB-MRXNPFEDSA-N 2 1 382.508 3.768 20 0 GHADMP [NH3+]CC[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c2ccccc21 ZINC001341526605 1060731428 /nfs/dbraw/zinc/73/14/28/1060731428.db2.gz RRIKPNBOXOQYLO-RTBURBONSA-N 2 1 392.547 3.972 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001341792951 1060899467 /nfs/dbraw/zinc/89/94/67/1060899467.db2.gz YODOSWGWENCZLC-SYYKKAFVSA-N 2 1 395.547 3.502 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001455083662 1061996833 /nfs/dbraw/zinc/99/68/33/1061996833.db2.gz WXWDMAAUHIYJGK-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC)C1)c1cccc(C(F)(F)F)c1 ZINC001457417478 1063161090 /nfs/dbraw/zinc/16/10/90/1063161090.db2.gz UXBSYCCEIWITRL-ZWKOTPCHSA-N 2 1 385.474 3.641 20 0 GHADMP COc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001349389920 1063692536 /nfs/dbraw/zinc/69/25/36/1063692536.db2.gz POBCSIXUTMYQPB-QFIPXVFZSA-N 2 1 393.531 3.841 20 0 GHADMP CCC[C@@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001459569857 1064131245 /nfs/dbraw/zinc/13/12/45/1064131245.db2.gz IPISTBZAPRZOQD-DEOSSOPVSA-N 2 1 385.596 3.978 20 0 GHADMP CC(C)(C)OC(=O)N(CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC1 ZINC001459783913 1064215551 /nfs/dbraw/zinc/21/55/51/1064215551.db2.gz BWJLQZGDKNJYAV-FXAWDEMLSA-N 2 1 377.573 3.725 20 0 GHADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCC[N@H+]3C3CCCC3)n2C)CC1 ZINC001351240912 1064321326 /nfs/dbraw/zinc/32/13/26/1064321326.db2.gz PHFLWBWEUHPJBU-HXUWFJFHSA-N 2 1 388.604 3.595 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC001460040999 1064368405 /nfs/dbraw/zinc/36/84/05/1064368405.db2.gz SWRUWWCMYZAHQY-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001460040999 1064368413 /nfs/dbraw/zinc/36/84/13/1064368413.db2.gz SWRUWWCMYZAHQY-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[C@H]1C[NH+](CC)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001460040999 1064368423 /nfs/dbraw/zinc/36/84/23/1064368423.db2.gz SWRUWWCMYZAHQY-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)Cc3cc(C)cc(C)c3)cc2)CC1 ZINC001460058256 1064384158 /nfs/dbraw/zinc/38/41/58/1064384158.db2.gz MPALTYRZHMPCCI-UHFFFAOYSA-N 2 1 394.563 3.516 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)Cc3cc(C)cc(C)c3)cc2)CC1 ZINC001460058256 1064384172 /nfs/dbraw/zinc/38/41/72/1064384172.db2.gz MPALTYRZHMPCCI-UHFFFAOYSA-N 2 1 394.563 3.516 20 0 GHADMP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001463720608 1064569302 /nfs/dbraw/zinc/56/93/02/1064569302.db2.gz AIMUVEZKRKWAKN-QHCPKHFHSA-N 2 1 379.548 3.749 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001463720608 1064569316 /nfs/dbraw/zinc/56/93/16/1064569316.db2.gz AIMUVEZKRKWAKN-QHCPKHFHSA-N 2 1 379.548 3.749 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001464561703 1065082918 /nfs/dbraw/zinc/08/29/18/1065082918.db2.gz PUWUJUJGHOVTNO-LJQANCHMSA-N 2 1 375.582 3.603 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)Cc3ccccc3Cl)CC2)CC1 ZINC000847346473 1065102572 /nfs/dbraw/zinc/10/25/72/1065102572.db2.gz RHWYLCLZRICSPS-QGZVFWFLSA-N 2 1 391.987 3.584 20 0 GHADMP Cc1cc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc(C)[nH+]1 ZINC001465885790 1065910911 /nfs/dbraw/zinc/91/09/11/1065910911.db2.gz PNNFAULDDZNJRY-FQEVSTJZSA-N 2 1 378.520 3.544 20 0 GHADMP Cc1cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc(C)[nH+]1 ZINC001465885790 1065910915 /nfs/dbraw/zinc/91/09/15/1065910915.db2.gz PNNFAULDDZNJRY-FQEVSTJZSA-N 2 1 378.520 3.544 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001466125516 1065990830 /nfs/dbraw/zinc/99/08/30/1065990830.db2.gz DOVGBGAWXDPCAX-IRLDBZIGSA-N 2 1 385.596 3.915 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001466808030 1066329026 /nfs/dbraw/zinc/32/90/26/1066329026.db2.gz JHZZYUVRUTXZBJ-YLJYHZDGSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC001466808030 1066329044 /nfs/dbraw/zinc/32/90/44/1066329044.db2.gz JHZZYUVRUTXZBJ-YLJYHZDGSA-N 2 1 377.960 3.685 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)cc1 ZINC001357351149 1067058671 /nfs/dbraw/zinc/05/86/71/1067058671.db2.gz OUDAYWXPWPKLMW-IVOMFYJKSA-N 2 1 385.552 3.547 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC001467951154 1067542533 /nfs/dbraw/zinc/54/25/33/1067542533.db2.gz VMTCZLXOTMSQNJ-BAGYTPMASA-N 2 1 388.600 3.563 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001473435860 1067556505 /nfs/dbraw/zinc/55/65/05/1067556505.db2.gz DQZSGMLNHNGQEU-BGYRXZFFSA-N 2 1 381.495 3.527 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001473435860 1067556508 /nfs/dbraw/zinc/55/65/08/1067556508.db2.gz DQZSGMLNHNGQEU-BGYRXZFFSA-N 2 1 381.495 3.527 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001473435860 1067556517 /nfs/dbraw/zinc/55/65/17/1067556517.db2.gz DQZSGMLNHNGQEU-BGYRXZFFSA-N 2 1 381.495 3.527 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001468004878 1067560594 /nfs/dbraw/zinc/56/05/94/1067560594.db2.gz QRYBRLPJAWBFBH-JOCHJYFZSA-N 2 1 398.595 3.701 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001468390354 1067715426 /nfs/dbraw/zinc/71/54/26/1067715426.db2.gz VZCMHIADTUNDEZ-XZOQPEGZSA-N 2 1 398.595 3.879 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2CC)[NH+](CC)CC)cc1 ZINC001477866087 1078601471 /nfs/dbraw/zinc/60/14/71/1078601471.db2.gz YGQCISJXODUCTB-YADHBBJMSA-N 2 1 388.600 3.806 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC001468760036 1067865280 /nfs/dbraw/zinc/86/52/80/1067865280.db2.gz KQQGDXAUOOGFKI-SFHVURJKSA-N 2 1 394.629 3.722 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)CC1 ZINC001468797908 1067888430 /nfs/dbraw/zinc/88/84/30/1067888430.db2.gz YWMZRAGKQWDJHS-ZCNNSNEGSA-N 2 1 386.584 3.554 20 0 GHADMP O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001477994232 1078661684 /nfs/dbraw/zinc/66/16/84/1078661684.db2.gz BROUJIOXDQIPAG-OAQYLSRUSA-N 2 1 378.605 3.739 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001360031878 1068323329 /nfs/dbraw/zinc/32/33/29/1068323329.db2.gz GSUYIHDCRGLUPD-NRFANRHFSA-N 2 1 399.966 3.752 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001478073035 1078702511 /nfs/dbraw/zinc/70/25/11/1078702511.db2.gz NKOWJXXWNLEOQU-HXUWFJFHSA-N 2 1 398.595 3.872 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC001470324191 1068681731 /nfs/dbraw/zinc/68/17/31/1068681731.db2.gz REWJZBXZJSUKFG-PGRDOPGGSA-N 2 1 386.584 3.683 20 0 GHADMP CC(C)OCC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460536484 1068990737 /nfs/dbraw/zinc/99/07/37/1068990737.db2.gz AGSNZHNIJYDVHE-PKTZIBPZSA-N 2 1 388.596 3.785 20 0 GHADMP C[N@H+](CCCSCc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460555375 1068994853 /nfs/dbraw/zinc/99/48/53/1068994853.db2.gz GUAQEXVYHZRJIE-HSZRJFAPSA-N 2 1 384.589 3.879 20 0 GHADMP C[N@@H+](CCCSCc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460555375 1068994855 /nfs/dbraw/zinc/99/48/55/1068994855.db2.gz GUAQEXVYHZRJIE-HSZRJFAPSA-N 2 1 384.589 3.879 20 0 GHADMP C[NH+](CCCSCc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460555375 1068994860 /nfs/dbraw/zinc/99/48/60/1068994860.db2.gz GUAQEXVYHZRJIE-HSZRJFAPSA-N 2 1 384.589 3.879 20 0 GHADMP C[NH+](CCCSCc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460555375 1068994865 /nfs/dbraw/zinc/99/48/65/1068994865.db2.gz GUAQEXVYHZRJIE-HSZRJFAPSA-N 2 1 384.589 3.879 20 0 GHADMP CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC001460928999 1069280182 /nfs/dbraw/zinc/28/01/82/1069280182.db2.gz BEKRTDMGUVHQQG-RTBURBONSA-N 2 1 379.589 3.828 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC001478618808 1078937483 /nfs/dbraw/zinc/93/74/83/1078937483.db2.gz UOFDVHFXZUFLJL-XLIONFOSSA-N 2 1 394.991 3.754 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC001470777204 1072733865 /nfs/dbraw/zinc/73/38/65/1072733865.db2.gz KFEUZPZTVWGKLT-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)C2)cc1 ZINC001471314408 1073012842 /nfs/dbraw/zinc/01/28/42/1073012842.db2.gz JWEYFAKESWCBMH-RPWUZVMVSA-N 2 1 391.559 3.565 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001478984308 1079051269 /nfs/dbraw/zinc/05/12/69/1079051269.db2.gz MINFFAKLJHDNGO-UNMCSNQZSA-N 2 1 390.616 3.691 20 0 GHADMP CC1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC001472410004 1073472973 /nfs/dbraw/zinc/47/29/73/1073472973.db2.gz WIDVGLDLOKVWDX-IBGZPJMESA-N 2 1 375.532 3.559 20 0 GHADMP CC1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC001472410004 1073472975 /nfs/dbraw/zinc/47/29/75/1073472975.db2.gz WIDVGLDLOKVWDX-IBGZPJMESA-N 2 1 375.532 3.559 20 0 GHADMP O=C(Cc1ccccc1)OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001473220564 1073869189 /nfs/dbraw/zinc/86/91/89/1073869189.db2.gz XRWQYPIQGXWLCG-RPWUZVMVSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001473220564 1073869192 /nfs/dbraw/zinc/86/91/92/1073869192.db2.gz XRWQYPIQGXWLCG-RPWUZVMVSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001473220564 1073869200 /nfs/dbraw/zinc/86/92/00/1073869200.db2.gz XRWQYPIQGXWLCG-RPWUZVMVSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001473220564 1073869205 /nfs/dbraw/zinc/86/92/05/1073869205.db2.gz XRWQYPIQGXWLCG-RPWUZVMVSA-N 2 1 392.543 3.759 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1F ZINC001473307095 1073914456 /nfs/dbraw/zinc/91/44/56/1073914456.db2.gz GKMOKROZDSBLGU-UHFFFAOYSA-N 2 1 390.547 3.559 20 0 GHADMP CC(C)N(C)c1ccc(NC(=O)CC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1F ZINC001473307095 1073914459 /nfs/dbraw/zinc/91/44/59/1073914459.db2.gz GKMOKROZDSBLGU-UHFFFAOYSA-N 2 1 390.547 3.559 20 0 GHADMP COC(=O)[C@@H]1CC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390172 1073945880 /nfs/dbraw/zinc/94/58/80/1073945880.db2.gz XVRMSWVYAJECOD-WTIAFYNJSA-N 2 1 380.532 3.786 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390172 1073945887 /nfs/dbraw/zinc/94/58/87/1073945887.db2.gz XVRMSWVYAJECOD-WTIAFYNJSA-N 2 1 380.532 3.786 20 0 GHADMP COC(=O)[C@@H]1CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)[C@@H]1C ZINC001473390172 1073945889 /nfs/dbraw/zinc/94/58/89/1073945889.db2.gz XVRMSWVYAJECOD-WTIAFYNJSA-N 2 1 380.532 3.786 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001473749188 1074122076 /nfs/dbraw/zinc/12/20/76/1074122076.db2.gz JMDFPLKZDLCNQF-UHFFFAOYSA-N 2 1 396.373 3.894 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001473749188 1074122080 /nfs/dbraw/zinc/12/20/80/1074122080.db2.gz JMDFPLKZDLCNQF-UHFFFAOYSA-N 2 1 396.373 3.894 20 0 GHADMP COC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)s1 ZINC001473844780 1074171391 /nfs/dbraw/zinc/17/13/91/1074171391.db2.gz AUOJHDIASZVFSD-LJQANCHMSA-N 2 1 399.560 3.905 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001473937310 1074211335 /nfs/dbraw/zinc/21/13/35/1074211335.db2.gz PPXFSCLSIZUSLS-HZPDHXFCSA-N 2 1 377.520 3.779 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001474234331 1074302995 /nfs/dbraw/zinc/30/29/95/1074302995.db2.gz LVZJHQYGJQCRMT-FPOVZHCZSA-N 2 1 385.596 3.771 20 0 GHADMP C[C@@H]1OCC[C@@]12C[N@H+](C[C@@]1(C(C)(C)C)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001474494193 1074431304 /nfs/dbraw/zinc/43/13/04/1074431304.db2.gz NNUFTOVWUBWMBQ-TUACAJSNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@@]1(C(C)(C)C)CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001474494193 1074431308 /nfs/dbraw/zinc/43/13/08/1074431308.db2.gz NNUFTOVWUBWMBQ-TUACAJSNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@@]12C[NH+](C[C@@]1(C(C)(C)C)CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001474494193 1074431312 /nfs/dbraw/zinc/43/13/12/1074431312.db2.gz NNUFTOVWUBWMBQ-TUACAJSNSA-N 2 1 386.580 3.805 20 0 GHADMP C[C@@H]1OCC[C@@]12C[NH+](C[C@@]1(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001474494193 1074431314 /nfs/dbraw/zinc/43/13/14/1074431314.db2.gz NNUFTOVWUBWMBQ-TUACAJSNSA-N 2 1 386.580 3.805 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(F)cc3ccc(Cl)nc32)c2c1CC[NH2+]C2 ZINC001164683633 719623976 /nfs/dbraw/zinc/62/39/76/719623976.db2.gz UGIXSDISGYJUMU-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(F)cc3ccc(Cl)nc32)c2c1CC[NH2+]C2 ZINC001164683633 719623987 /nfs/dbraw/zinc/62/39/87/719623987.db2.gz UGIXSDISGYJUMU-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2c(Cl)ncc(Cl)c2Cl)c2c1CC[NH2+]C2 ZINC001164682647 719625870 /nfs/dbraw/zinc/62/58/70/719625870.db2.gz PLBBGJCAJHBPCK-UHFFFAOYSA-N 2 1 388.730 3.713 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2c(Cl)ncc(Cl)c2Cl)c2c1CC[NH2+]C2 ZINC001164682647 719625884 /nfs/dbraw/zinc/62/58/84/719625884.db2.gz PLBBGJCAJHBPCK-UHFFFAOYSA-N 2 1 388.730 3.713 20 0 GHADMP CC[N@@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785565 721435683 /nfs/dbraw/zinc/43/56/83/721435683.db2.gz NREVVZFSHXFMSR-ZCNNSNEGSA-N 2 1 397.592 3.653 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785565 721435685 /nfs/dbraw/zinc/43/56/85/721435685.db2.gz NREVVZFSHXFMSR-ZCNNSNEGSA-N 2 1 397.592 3.653 20 0 GHADMP CC[NH+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785565 721435690 /nfs/dbraw/zinc/43/56/90/721435690.db2.gz NREVVZFSHXFMSR-ZCNNSNEGSA-N 2 1 397.592 3.653 20 0 GHADMP CC[NH+]1CCCC[C@H]1c1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1 ZINC001164785565 721435694 /nfs/dbraw/zinc/43/56/94/721435694.db2.gz NREVVZFSHXFMSR-ZCNNSNEGSA-N 2 1 397.592 3.653 20 0 GHADMP Cn1ccc2c1cc[nH+]c2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906097 721693600 /nfs/dbraw/zinc/69/36/00/721693600.db2.gz LEGFFKIJXAESOB-NRFANRHFSA-N 2 1 397.473 3.706 20 0 GHADMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703109 837698411 /nfs/dbraw/zinc/69/84/11/837698411.db2.gz AISGBIGBUALAFC-ICSRJNTNSA-N 2 1 380.479 3.898 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000655723517 837740680 /nfs/dbraw/zinc/74/06/80/837740680.db2.gz PCKQEVTXTUIFFU-JXFKEZNVSA-N 2 1 376.516 3.909 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000278276699 834482567 /nfs/dbraw/zinc/48/25/67/834482567.db2.gz PMGYMBPWZAAMQN-WBDAEOGXSA-N 2 1 377.532 3.674 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000278276699 834482573 /nfs/dbraw/zinc/48/25/73/834482573.db2.gz PMGYMBPWZAAMQN-WBDAEOGXSA-N 2 1 377.532 3.674 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)C1 ZINC000650705402 834521699 /nfs/dbraw/zinc/52/16/99/834521699.db2.gz GFHQEWXAKZLUEB-WMTXJRDZSA-N 2 1 380.532 3.984 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3Cc3ccccc3C)CC2)CC1 ZINC000654793080 834571184 /nfs/dbraw/zinc/57/11/84/834571184.db2.gz OQZKGNNEQVWGJA-DEOSSOPVSA-N 2 1 397.607 3.725 20 0 GHADMP CCOC1CC2(C1)CC[NH+](CCCCC[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000375763531 834692326 /nfs/dbraw/zinc/69/23/26/834692326.db2.gz MYIGLWOPTGAXRA-UHFFFAOYSA-N 2 1 378.601 3.939 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1OCC(C)C ZINC000650721917 834698490 /nfs/dbraw/zinc/69/84/90/834698490.db2.gz FUPUUPXVNWEDJA-SJBKTWHCSA-N 2 1 390.568 3.981 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC[N@H+](Cc2ccccc2)C1 ZINC000583588046 834701911 /nfs/dbraw/zinc/70/19/11/834701911.db2.gz MXCAANMACKYEIJ-VWNXMTODSA-N 2 1 375.516 3.772 20 0 GHADMP O[C@]1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC[N@@H+](Cc2ccccc2)C1 ZINC000583588046 834701920 /nfs/dbraw/zinc/70/19/20/834701920.db2.gz MXCAANMACKYEIJ-VWNXMTODSA-N 2 1 375.516 3.772 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)sc1Br ZINC000093735042 834702747 /nfs/dbraw/zinc/70/27/47/834702747.db2.gz SLVGIBZCORETMR-UHFFFAOYSA-N 2 1 387.387 3.896 20 0 GHADMP CC[N@H+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818816 834705882 /nfs/dbraw/zinc/70/58/82/834705882.db2.gz QUAQVATWTDXUCS-QFIPXVFZSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818816 834705890 /nfs/dbraw/zinc/70/58/90/834705890.db2.gz QUAQVATWTDXUCS-QFIPXVFZSA-N 2 1 375.520 3.611 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818816 834705896 /nfs/dbraw/zinc/70/58/96/834705896.db2.gz QUAQVATWTDXUCS-QFIPXVFZSA-N 2 1 375.520 3.611 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000139951137 834768941 /nfs/dbraw/zinc/76/89/41/834768941.db2.gz AROXCJBLRBOGSZ-QHCPKHFHSA-N 2 1 394.563 3.775 20 0 GHADMP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1Cl ZINC000655751803 837815447 /nfs/dbraw/zinc/81/54/47/837815447.db2.gz GAHSLPWHXRGPNI-FUHWJXTLSA-N 2 1 398.378 3.805 20 0 GHADMP COc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000431571486 834939545 /nfs/dbraw/zinc/93/95/45/834939545.db2.gz RJCGXAVDXWMXOR-RBBKRZOGSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511276436 834946443 /nfs/dbraw/zinc/94/64/43/834946443.db2.gz HXMOQJLQJGADBW-QGZVFWFLSA-N 2 1 397.588 3.909 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511276436 834946448 /nfs/dbraw/zinc/94/64/48/834946448.db2.gz HXMOQJLQJGADBW-QGZVFWFLSA-N 2 1 397.588 3.909 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511276436 834946453 /nfs/dbraw/zinc/94/64/53/834946453.db2.gz HXMOQJLQJGADBW-QGZVFWFLSA-N 2 1 397.588 3.909 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1)C1CC1 ZINC000511276436 834946457 /nfs/dbraw/zinc/94/64/57/834946457.db2.gz HXMOQJLQJGADBW-QGZVFWFLSA-N 2 1 397.588 3.909 20 0 GHADMP Cn1cc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c2ccc(Cl)cc21 ZINC000655756167 837828738 /nfs/dbraw/zinc/82/87/38/837828738.db2.gz PRBYUJHUAXHZAX-LJQANCHMSA-N 2 1 375.944 3.607 20 0 GHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc(C)c1OC(F)F ZINC000685457792 835023080 /nfs/dbraw/zinc/02/30/80/835023080.db2.gz NUSFUNVWGFWIAC-LJQANCHMSA-N 2 1 381.511 3.505 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000151146126 835049133 /nfs/dbraw/zinc/04/91/33/835049133.db2.gz DHENARNYXFYYNH-UHFFFAOYSA-N 2 1 384.520 3.727 20 0 GHADMP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C(F)F)c(F)c2)c2ccccc2)CC1 ZINC000892397703 835068648 /nfs/dbraw/zinc/06/86/48/835068648.db2.gz QRMHEXHITZUXJF-FQEVSTJZSA-N 2 1 377.454 3.842 20 0 GHADMP CC[N@H+](Cc1csc(N(C)C2CC2)n1)CC1CCN(c2ccccn2)CC1 ZINC000151167046 835111925 /nfs/dbraw/zinc/11/19/25/835111925.db2.gz AREPVWNQYRQVBK-UHFFFAOYSA-N 2 1 385.581 3.875 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000430217903 835212870 /nfs/dbraw/zinc/21/28/70/835212870.db2.gz LYVVNRYVLKOOJC-RRPUWOKSSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000430217903 835212873 /nfs/dbraw/zinc/21/28/73/835212873.db2.gz LYVVNRYVLKOOJC-RRPUWOKSSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000430217903 835212880 /nfs/dbraw/zinc/21/28/80/835212880.db2.gz LYVVNRYVLKOOJC-RRPUWOKSSA-N 2 1 386.584 3.555 20 0 GHADMP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)OCCc2ccccc21 ZINC000685655555 835269426 /nfs/dbraw/zinc/26/94/26/835269426.db2.gz JXYIFBWGLQDARM-OPXMRZJTSA-N 2 1 394.559 3.601 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472351727 835328609 /nfs/dbraw/zinc/32/86/09/835328609.db2.gz XPNIRULXBCGVMY-QPPBQGQZSA-N 3 1 389.547 3.748 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472351727 835328617 /nfs/dbraw/zinc/32/86/17/835328617.db2.gz XPNIRULXBCGVMY-QPPBQGQZSA-N 2 1 389.547 3.748 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472351727 835328623 /nfs/dbraw/zinc/32/86/23/835328623.db2.gz XPNIRULXBCGVMY-QPPBQGQZSA-N 2 1 389.547 3.748 20 0 GHADMP C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274804087 835420478 /nfs/dbraw/zinc/42/04/78/835420478.db2.gz WAEPKZRYEJZOIF-YJRPBZDYSA-N 2 1 379.548 3.712 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000612046787 835433028 /nfs/dbraw/zinc/43/30/28/835433028.db2.gz GKXKYQSFDCHJCR-FGZHOGPDSA-N 2 1 389.628 3.858 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)nn1C ZINC000658135321 835444833 /nfs/dbraw/zinc/44/48/33/835444833.db2.gz DHNZKCJQCWJQMQ-GCJKJVERSA-N 2 1 390.531 3.505 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cc2)C1 ZINC000658135342 835444980 /nfs/dbraw/zinc/44/49/80/835444980.db2.gz DFDYQHCAQRNSKO-ZEQRLZLVSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)cc2)C1 ZINC000658135342 835444984 /nfs/dbraw/zinc/44/49/84/835444984.db2.gz DFDYQHCAQRNSKO-ZEQRLZLVSA-N 2 1 391.490 3.667 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658142862 835453151 /nfs/dbraw/zinc/45/31/51/835453151.db2.gz ZMAHFTMQAGXVRT-DNVJHFABSA-N 2 1 379.548 3.773 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCCS2 ZINC000658142575 835453796 /nfs/dbraw/zinc/45/37/96/835453796.db2.gz YOYWOPNNEPNSAY-DENIHFKCSA-N 2 1 398.572 3.979 20 0 GHADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658137738 835462883 /nfs/dbraw/zinc/46/28/83/835462883.db2.gz IGNAUMYRBYKWCT-HOYKHHGWSA-N 2 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658137738 835462888 /nfs/dbraw/zinc/46/28/88/835462888.db2.gz IGNAUMYRBYKWCT-HOYKHHGWSA-N 3 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658137738 835462892 /nfs/dbraw/zinc/46/28/92/835462892.db2.gz IGNAUMYRBYKWCT-HOYKHHGWSA-N 3 1 390.531 3.598 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000133330425 835519570 /nfs/dbraw/zinc/51/95/70/835519570.db2.gz YCPITZQHLLHNBF-XMSQKQJNSA-N 2 1 381.520 3.527 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000133330425 835519572 /nfs/dbraw/zinc/51/95/72/835519572.db2.gz YCPITZQHLLHNBF-XMSQKQJNSA-N 2 1 381.520 3.527 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208999705 835835246 /nfs/dbraw/zinc/83/52/46/835835246.db2.gz RRRMNFMCDHRJIF-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208999705 835835258 /nfs/dbraw/zinc/83/52/58/835835258.db2.gz RRRMNFMCDHRJIF-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208999705 835835267 /nfs/dbraw/zinc/83/52/67/835835267.db2.gz RRRMNFMCDHRJIF-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208999705 835835278 /nfs/dbraw/zinc/83/52/78/835835278.db2.gz RRRMNFMCDHRJIF-NZQKXSOJSA-N 2 1 385.552 3.594 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)cc1 ZINC000154658543 835886006 /nfs/dbraw/zinc/88/60/06/835886006.db2.gz MBNHIJCOVBIDJW-AVRDEDQJSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000154658543 835886011 /nfs/dbraw/zinc/88/60/11/835886011.db2.gz MBNHIJCOVBIDJW-AVRDEDQJSA-N 2 1 385.552 3.643 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000154658543 835886014 /nfs/dbraw/zinc/88/60/14/835886014.db2.gz MBNHIJCOVBIDJW-AVRDEDQJSA-N 2 1 385.552 3.643 20 0 GHADMP c1c[nH]c([C@@H]2CCC[N@H+](CCCCCC[NH+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000080961344 835924488 /nfs/dbraw/zinc/92/44/88/835924488.db2.gz IRZHKHNHSCINPD-BGYRXZFFSA-N 2 1 384.572 3.752 20 0 GHADMP c1c[nH]c([C@@H]2CCC[NH+](CCCCCC[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000080961344 835924493 /nfs/dbraw/zinc/92/44/93/835924493.db2.gz IRZHKHNHSCINPD-BGYRXZFFSA-N 2 1 384.572 3.752 20 0 GHADMP c1c[nH]c([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000080961344 835924498 /nfs/dbraw/zinc/92/44/98/835924498.db2.gz IRZHKHNHSCINPD-BGYRXZFFSA-N 2 1 384.572 3.752 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](c2cc(F)cc(Br)c2)C(C)C)CC1 ZINC000657850598 835934281 /nfs/dbraw/zinc/93/42/81/835934281.db2.gz WMTSJKNFGADETF-GOSISDBHSA-N 2 1 387.337 3.986 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000134765322 835952274 /nfs/dbraw/zinc/95/22/74/835952274.db2.gz OMHPITZCRMNWAV-GOSISDBHSA-N 2 1 392.547 3.578 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000134765322 835952280 /nfs/dbraw/zinc/95/22/80/835952280.db2.gz OMHPITZCRMNWAV-GOSISDBHSA-N 2 1 392.547 3.578 20 0 GHADMP Cn1c(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc2c1cccc2F ZINC000180173357 836101813 /nfs/dbraw/zinc/10/18/13/836101813.db2.gz LYQCELIHFPJCQK-SVFBPWRDSA-N 2 1 392.522 3.755 20 0 GHADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc(Cl)c1 ZINC000613390174 836258123 /nfs/dbraw/zinc/25/81/23/836258123.db2.gz DAEITTAWLXABKB-UHFFFAOYSA-N 2 1 385.939 3.684 20 0 GHADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc(Cl)c1 ZINC000613390174 836258128 /nfs/dbraw/zinc/25/81/28/836258128.db2.gz DAEITTAWLXABKB-UHFFFAOYSA-N 2 1 385.939 3.684 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000092665489 844149775 /nfs/dbraw/zinc/14/97/75/844149775.db2.gz HVBNOSGUBJXTJT-SFTDATJTSA-N 2 1 378.564 3.739 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173878563 836318018 /nfs/dbraw/zinc/31/80/18/836318018.db2.gz WBAUNPUMJLQOQX-CVEARBPZSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173878563 836318035 /nfs/dbraw/zinc/31/80/35/836318035.db2.gz WBAUNPUMJLQOQX-CVEARBPZSA-N 2 1 387.351 3.541 20 0 GHADMP C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483519 844154562 /nfs/dbraw/zinc/15/45/62/844154562.db2.gz BSENCGMYQNBULP-UNMCSNQZSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@H](NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483519 844154566 /nfs/dbraw/zinc/15/45/66/844154566.db2.gz BSENCGMYQNBULP-UNMCSNQZSA-N 2 1 387.637 3.848 20 0 GHADMP C[C@H](NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483519 844154572 /nfs/dbraw/zinc/15/45/72/844154572.db2.gz BSENCGMYQNBULP-UNMCSNQZSA-N 2 1 387.637 3.848 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000613491312 836542144 /nfs/dbraw/zinc/54/21/44/836542144.db2.gz OBSCTYGZJXLMPW-QFIPXVFZSA-N 2 1 376.585 3.795 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000155212502 836578685 /nfs/dbraw/zinc/57/86/85/836578685.db2.gz PMWUQAWZOMQWLH-UGKGYDQZSA-N 2 1 386.584 3.554 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccccc2S(C)(=O)=O)CC1 ZINC000414236223 836675159 /nfs/dbraw/zinc/67/51/59/836675159.db2.gz HVNBRCSAEUQBQW-UHFFFAOYSA-N 2 1 386.561 3.623 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000093688438 844189831 /nfs/dbraw/zinc/18/98/31/844189831.db2.gz SYEWYGFBCCNKLA-UHFFFAOYSA-N 2 1 384.318 3.911 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376062012 836717283 /nfs/dbraw/zinc/71/72/83/836717283.db2.gz NOWYKBZKEGJRQH-ZXNZYJFHSA-N 2 1 396.535 3.667 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000511401430 837038794 /nfs/dbraw/zinc/03/87/94/837038794.db2.gz ZURGVLZJETWFKK-COPCDDAFSA-N 2 1 394.003 3.813 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376428615 837151468 /nfs/dbraw/zinc/15/14/68/837151468.db2.gz RNOKMOGVOLNHPO-FRIKZZABSA-N 2 1 377.532 3.674 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100309 844241146 /nfs/dbraw/zinc/24/11/46/844241146.db2.gz AHGDHKCLLJUQFS-MOPGFXCFSA-N 2 1 392.975 3.601 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100309 844241155 /nfs/dbraw/zinc/24/11/55/844241155.db2.gz AHGDHKCLLJUQFS-MOPGFXCFSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100309 844241162 /nfs/dbraw/zinc/24/11/62/844241162.db2.gz AHGDHKCLLJUQFS-MOPGFXCFSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000534100309 844241172 /nfs/dbraw/zinc/24/11/72/844241172.db2.gz AHGDHKCLLJUQFS-MOPGFXCFSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547826085 837157801 /nfs/dbraw/zinc/15/78/01/837157801.db2.gz WJQSUAZCAUXCAG-QXAKKESOSA-N 2 1 399.485 3.570 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547826085 837157809 /nfs/dbraw/zinc/15/78/09/837157809.db2.gz WJQSUAZCAUXCAG-QXAKKESOSA-N 2 1 399.485 3.570 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000431739826 837243896 /nfs/dbraw/zinc/24/38/96/837243896.db2.gz MZIIQGXDLJWFSW-NRFANRHFSA-N 2 1 380.467 3.629 20 0 GHADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(Cc1ccccc1)Cc1ccccc1 ZINC000685848054 837270460 /nfs/dbraw/zinc/27/04/60/837270460.db2.gz VTWKNLDYMALFDL-UHFFFAOYSA-N 2 1 379.592 3.657 20 0 GHADMP [NH3+]C1(CN[C@H]2CCSc3c(F)cccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000423556214 837973005 /nfs/dbraw/zinc/97/30/05/837973005.db2.gz HYGQSQVBXNMEBB-FQEVSTJZSA-N 2 1 385.552 3.946 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535671317 844290244 /nfs/dbraw/zinc/29/02/44/844290244.db2.gz AZLPQWGPCXUTBK-QOKNQOGYSA-N 2 1 398.954 3.501 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535671317 844290249 /nfs/dbraw/zinc/29/02/49/844290249.db2.gz AZLPQWGPCXUTBK-QOKNQOGYSA-N 2 1 398.954 3.501 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000377911041 838148563 /nfs/dbraw/zinc/14/85/63/838148563.db2.gz MFRYLYVPWWTSFU-IBGZPJMESA-N 2 1 388.943 3.595 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535680224 844300291 /nfs/dbraw/zinc/30/02/91/844300291.db2.gz LMGLVBFYAVGNCQ-QFIPXVFZSA-N 2 1 398.522 3.554 20 0 GHADMP C[NH2+][C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000659285298 838209195 /nfs/dbraw/zinc/20/91/95/838209195.db2.gz LTCMEVDHFURNMO-GOSISDBHSA-N 2 1 380.319 3.997 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000415915868 838264580 /nfs/dbraw/zinc/26/45/80/838264580.db2.gz ALWPITYRVONYDN-GGAORHGYSA-N 2 1 392.547 3.924 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415960299 838329319 /nfs/dbraw/zinc/32/93/19/838329319.db2.gz UYJJAVGHJPWYFT-RXVVDRJESA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000415972552 838330980 /nfs/dbraw/zinc/33/09/80/838330980.db2.gz MXMMTTYWYVZFCY-XMMPIXPASA-N 2 1 392.547 3.926 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415999799 838377266 /nfs/dbraw/zinc/37/72/66/838377266.db2.gz VZZPJIUDRLFBHE-HTAPYJJXSA-N 2 1 378.520 3.807 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000659466666 838425746 /nfs/dbraw/zinc/42/57/46/838425746.db2.gz IDRFEDVVQPXKRK-LAUBAEHRSA-N 2 1 395.551 3.663 20 0 GHADMP O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000782935202 838456208 /nfs/dbraw/zinc/45/62/08/838456208.db2.gz YPVAXQSRHWDXCD-HXUWFJFHSA-N 2 1 397.563 3.651 20 0 GHADMP CCC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC001167341560 838550588 /nfs/dbraw/zinc/55/05/88/838550588.db2.gz KMLXSRIBBZWDRP-FQEVSTJZSA-N 2 1 377.960 3.715 20 0 GHADMP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000416196775 838695025 /nfs/dbraw/zinc/69/50/25/838695025.db2.gz KGUQEGDSYRYCJQ-WWPVKYPJSA-N 2 1 379.548 3.706 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655471831 838902150 /nfs/dbraw/zinc/90/21/50/838902150.db2.gz YWAHQQXZKDYRAG-QTWZMDIBSA-N 2 1 393.934 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655471831 838902162 /nfs/dbraw/zinc/90/21/62/838902162.db2.gz YWAHQQXZKDYRAG-QTWZMDIBSA-N 2 1 393.934 3.509 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974119 839024872 /nfs/dbraw/zinc/02/48/72/839024872.db2.gz YMBANQQBUZAJHU-FGZHOGPDSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974119 839024877 /nfs/dbraw/zinc/02/48/77/839024877.db2.gz YMBANQQBUZAJHU-FGZHOGPDSA-N 2 1 385.596 3.725 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659974119 839024888 /nfs/dbraw/zinc/02/48/88/839024888.db2.gz YMBANQQBUZAJHU-FGZHOGPDSA-N 2 1 385.596 3.725 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OCCOc1ccccc1Cl ZINC000415025205 839077063 /nfs/dbraw/zinc/07/70/63/839077063.db2.gz ZSOJAXHHRUDLMJ-HUUCEWRRSA-N 2 1 378.900 3.632 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OCc1ccncc1 ZINC000415055747 839138340 /nfs/dbraw/zinc/13/83/40/839138340.db2.gz RJDLPXJMDRUSAU-RTWAWAEBSA-N 2 1 381.520 3.633 20 0 GHADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc(OC)c1OCc1ccccc1 ZINC000415064942 839142430 /nfs/dbraw/zinc/14/24/30/839142430.db2.gz LTRLSKYSZXKOIZ-HXUWFJFHSA-N 2 1 384.520 3.890 20 0 GHADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cc2)n1 ZINC000415086797 839186925 /nfs/dbraw/zinc/18/69/25/839186925.db2.gz UXVZUCPECVKTMW-NHCUHLMSSA-N 2 1 376.504 3.924 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415102582 839207802 /nfs/dbraw/zinc/20/78/02/839207802.db2.gz CMMGGFGCUXRCSR-XLIONFOSSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415102582 839207810 /nfs/dbraw/zinc/20/78/10/839207810.db2.gz CMMGGFGCUXRCSR-XLIONFOSSA-N 2 1 384.520 3.700 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000047791948 839211236 /nfs/dbraw/zinc/21/12/36/839211236.db2.gz IDBQGJJSEFELBQ-RXVVDRJESA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000047791948 839211246 /nfs/dbraw/zinc/21/12/46/839211246.db2.gz IDBQGJJSEFELBQ-RXVVDRJESA-N 2 1 398.551 3.756 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)cc3Cl)CC2)C1 ZINC000415116492 839227463 /nfs/dbraw/zinc/22/74/63/839227463.db2.gz BMHWOZPOVMXTAM-DOTOQJQBSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)c(Cl)s3)CC2)C1 ZINC000415126790 839237288 /nfs/dbraw/zinc/23/72/88/839237288.db2.gz QDBYEFLSENBKBE-SMDDNHRTSA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+]C1(CNCc2ccc(C(F)(F)F)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415124268 839245823 /nfs/dbraw/zinc/24/58/23/839245823.db2.gz BWSAKPWBOWXVAG-UHFFFAOYSA-N 2 1 383.483 3.850 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309753070 839458696 /nfs/dbraw/zinc/45/86/96/839458696.db2.gz WLWJNTIIBMHRRD-ACRUOGEOSA-N 2 1 387.568 3.792 20 0 GHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000656255014 839843405 /nfs/dbraw/zinc/84/34/05/839843405.db2.gz KQYCZFNUICBAPB-DUXKGJEZSA-N 2 1 388.943 3.518 20 0 GHADMP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000656255014 839843415 /nfs/dbraw/zinc/84/34/15/839843415.db2.gz KQYCZFNUICBAPB-DUXKGJEZSA-N 2 1 388.943 3.518 20 0 GHADMP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000328632664 840002468 /nfs/dbraw/zinc/00/24/68/840002468.db2.gz LMSDBUBSAYSISW-QEMXTEJRSA-N 2 1 387.572 3.696 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535805892 844504176 /nfs/dbraw/zinc/50/41/76/844504176.db2.gz YPYKFVNTRROTCD-NZSAHSFTSA-N 2 1 397.346 3.953 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535805892 844504185 /nfs/dbraw/zinc/50/41/85/844504185.db2.gz YPYKFVNTRROTCD-NZSAHSFTSA-N 2 1 397.346 3.953 20 0 GHADMP FC(F)(F)Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000580789279 840188170 /nfs/dbraw/zinc/18/81/70/840188170.db2.gz HZKDBECVTJIJFD-UHFFFAOYSA-N 2 1 392.469 3.934 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000418486262 840306478 /nfs/dbraw/zinc/30/64/78/840306478.db2.gz IFINQLLKNBASHP-OALUTQOASA-N 2 1 386.584 3.892 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000416970487 840327503 /nfs/dbraw/zinc/32/75/03/840327503.db2.gz NNJHIUKLPYLRLE-RBUKOAKNSA-N 2 1 394.563 3.938 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000416972929 840329923 /nfs/dbraw/zinc/32/99/23/840329923.db2.gz JFEUXKJSAPZITR-HXUWFJFHSA-N 2 1 394.563 3.732 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2F)C2CCCCC2)CC1 ZINC000511602187 840446781 /nfs/dbraw/zinc/44/67/81/840446781.db2.gz ZYWCAVSCYIDJAQ-UHFFFAOYSA-N 2 1 389.559 3.949 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2F)C2CCCCC2)CC1 ZINC000511602187 840446786 /nfs/dbraw/zinc/44/67/86/840446786.db2.gz ZYWCAVSCYIDJAQ-UHFFFAOYSA-N 2 1 389.559 3.949 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)ccc1Cl ZINC000580938658 840476183 /nfs/dbraw/zinc/47/61/83/840476183.db2.gz HSHVZHOXWHJASL-KRWDZBQOSA-N 2 1 381.973 3.558 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)[C@H](C)C3)CC2)CC1 ZINC000581141522 840778636 /nfs/dbraw/zinc/77/86/36/840778636.db2.gz YHUMCYVPHKPOAR-YKSBVNFPSA-N 2 1 397.607 3.835 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c1 ZINC000417402616 840828564 /nfs/dbraw/zinc/82/85/64/840828564.db2.gz MVQXAWBXCBKFHF-HSZRJFAPSA-N 2 1 390.531 3.791 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]21 ZINC000584784179 840854095 /nfs/dbraw/zinc/85/40/95/840854095.db2.gz MYCUTDMYJKACBD-NUEKZKHPSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)C[C@H]21 ZINC000584784179 840854105 /nfs/dbraw/zinc/85/41/05/840854105.db2.gz MYCUTDMYJKACBD-NUEKZKHPSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+]CCCOC1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000430542875 840930920 /nfs/dbraw/zinc/93/09/20/840930920.db2.gz LBJAKPKYCNYDAL-OAQYLSRUSA-N 2 1 392.503 3.656 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000276092059 840979114 /nfs/dbraw/zinc/97/91/14/840979114.db2.gz VWRUOKRZRVBPJC-JOCHJYFZSA-N 2 1 388.600 3.797 20 0 GHADMP COc1ccccc1C[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726071832 844596126 /nfs/dbraw/zinc/59/61/26/844596126.db2.gz KSJVVXBBBAPHOP-REWPJTCUSA-N 2 1 382.548 3.585 20 0 GHADMP COc1ccccc1C[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000726071832 844596135 /nfs/dbraw/zinc/59/61/35/844596135.db2.gz KSJVVXBBBAPHOP-REWPJTCUSA-N 2 1 382.548 3.585 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000581309061 841053362 /nfs/dbraw/zinc/05/33/62/841053362.db2.gz UPIYVMSKLSQVPX-MRXNPFEDSA-N 2 1 397.485 3.518 20 0 GHADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000660695096 841106461 /nfs/dbraw/zinc/10/64/61/841106461.db2.gz MKOJGYAVIUUONB-HYXAFXHYSA-N 2 1 395.385 3.925 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000417847760 841224055 /nfs/dbraw/zinc/22/40/55/841224055.db2.gz APBXETOMODVKSH-HZPDHXFCSA-N 2 1 377.492 3.761 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417905752 841264154 /nfs/dbraw/zinc/26/41/54/841264154.db2.gz ANRJSZKFLLZSFD-PGRDOPGGSA-N 2 1 382.552 3.507 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000621922204 841352324 /nfs/dbraw/zinc/35/23/24/841352324.db2.gz RDWWDINWZZBNHZ-LLGFUMIMSA-N 2 1 385.939 3.770 20 0 GHADMP [NH3+]C1CCC(NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000417987457 841363572 /nfs/dbraw/zinc/36/35/72/841363572.db2.gz HVOZBPBKHZWZQA-UHFFFAOYSA-N 2 1 399.366 3.527 20 0 GHADMP COc1cc(OC)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000651692119 841376273 /nfs/dbraw/zinc/37/62/73/841376273.db2.gz UUFREYUINWUUNC-HNNXBMFYSA-N 2 1 378.513 3.906 20 0 GHADMP COc1cc(OC)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000651692119 841376285 /nfs/dbraw/zinc/37/62/85/841376285.db2.gz UUFREYUINWUUNC-HNNXBMFYSA-N 2 1 378.513 3.906 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)n1-c1nccs1 ZINC000123553012 841453159 /nfs/dbraw/zinc/45/31/59/841453159.db2.gz KZHXSVWLNNPQCE-UHFFFAOYSA-N 2 1 388.581 3.787 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000500129478 841495684 /nfs/dbraw/zinc/49/56/84/841495684.db2.gz NVHZDMLDLPVFDR-QHCPKHFHSA-N 2 1 394.563 3.727 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000500129478 841495688 /nfs/dbraw/zinc/49/56/88/841495688.db2.gz NVHZDMLDLPVFDR-QHCPKHFHSA-N 2 1 394.563 3.727 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716186 861230375 /nfs/dbraw/zinc/23/03/75/861230375.db2.gz XDPIBGYIKCKIDJ-KHYOSLBOSA-N 2 1 381.358 3.725 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CN(c3ccccc3)CCO2)cc1 ZINC000581674453 841986333 /nfs/dbraw/zinc/98/63/33/841986333.db2.gz GKDRVBRIOJGYDV-JPYJTQIMSA-N 2 1 376.504 3.737 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001167823196 841995239 /nfs/dbraw/zinc/99/52/39/841995239.db2.gz BWSXZVHRZPGNIH-KZKAQZJJSA-N 2 1 389.584 3.588 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001167823193 841995298 /nfs/dbraw/zinc/99/52/98/841995298.db2.gz BWSXZVHRZPGNIH-FCJDFRRUSA-N 2 1 389.584 3.588 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000625814542 842008439 /nfs/dbraw/zinc/00/84/39/842008439.db2.gz WYOSEIFHJMRFLE-TZIWHRDSSA-N 2 1 389.971 3.543 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000625814542 842008444 /nfs/dbraw/zinc/00/84/44/842008444.db2.gz WYOSEIFHJMRFLE-TZIWHRDSSA-N 2 1 389.971 3.543 20 0 GHADMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150851455 842036629 /nfs/dbraw/zinc/03/66/29/842036629.db2.gz FVKVTZPVVUCJGD-OFNKIYASSA-N 2 1 380.532 3.511 20 0 GHADMP O[C@H](COc1ccc(-c2ccccc2)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150851455 842036632 /nfs/dbraw/zinc/03/66/32/842036632.db2.gz FVKVTZPVVUCJGD-OFNKIYASSA-N 2 1 380.532 3.511 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001167826917 842062991 /nfs/dbraw/zinc/06/29/91/842062991.db2.gz ZKKWNOXHJXZUIK-OFNKIYASSA-N 2 1 386.584 3.549 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC001167827601 842089807 /nfs/dbraw/zinc/08/98/07/842089807.db2.gz UGTNKGCXNOIZOG-AKIFATBCSA-N 2 1 396.616 3.564 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652335230 842269958 /nfs/dbraw/zinc/26/99/58/842269958.db2.gz YYSASXKHKPMFGQ-XAPVIXHLSA-N 2 1 377.532 3.548 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581857048 842312848 /nfs/dbraw/zinc/31/28/48/842312848.db2.gz CAIINCFGGYSJRM-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000512056943 842354883 /nfs/dbraw/zinc/35/48/83/842354883.db2.gz INEDKTDLJLEGPE-AWEZNQCLSA-N 2 1 377.414 3.822 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2ccc(Br)cc2F)s1 ZINC000512058835 842367788 /nfs/dbraw/zinc/36/77/88/842367788.db2.gz PUIGAOMYPFLNPA-UHFFFAOYSA-N 2 1 386.334 3.829 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000652360944 842369644 /nfs/dbraw/zinc/36/96/44/842369644.db2.gz UOKJQXHHNVPZQT-PTUXOGIPSA-N 2 1 399.579 3.713 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000278954406 842373052 /nfs/dbraw/zinc/37/30/52/842373052.db2.gz LSKISEFQYPIDHR-RYUDHWBXSA-N 2 1 387.377 3.999 20 0 GHADMP Cc1cccc([C@@H](C)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430668310 842440283 /nfs/dbraw/zinc/44/02/83/842440283.db2.gz HQPXLSFUECRIKM-HXUWFJFHSA-N 2 1 385.596 3.753 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000512082750 842440887 /nfs/dbraw/zinc/44/08/87/842440887.db2.gz LMWUFRUICRKUKC-UHFFFAOYSA-N 2 1 379.957 3.696 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887539 842464128 /nfs/dbraw/zinc/46/41/28/842464128.db2.gz UUKBJDANKZWMRZ-AZUAARDMSA-N 2 1 376.541 3.553 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887539 842464132 /nfs/dbraw/zinc/46/41/32/842464132.db2.gz UUKBJDANKZWMRZ-AZUAARDMSA-N 2 1 376.541 3.553 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)Cc3ccc(F)cc3)C2)s1 ZINC000581887539 842464136 /nfs/dbraw/zinc/46/41/36/842464136.db2.gz UUKBJDANKZWMRZ-AZUAARDMSA-N 2 1 376.541 3.553 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CC[NH+](C)CC1 ZINC000510484981 842497013 /nfs/dbraw/zinc/49/70/13/842497013.db2.gz ZLFTVPDCBAUYOP-HSALFYBXSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CC[N@H+](C)CC1 ZINC000510484981 842497022 /nfs/dbraw/zinc/49/70/22/842497022.db2.gz ZLFTVPDCBAUYOP-HSALFYBXSA-N 2 1 398.595 3.614 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1=CC[N@@H+](C)CC1 ZINC000510484981 842497027 /nfs/dbraw/zinc/49/70/27/842497027.db2.gz ZLFTVPDCBAUYOP-HSALFYBXSA-N 2 1 398.595 3.614 20 0 GHADMP CCCn1c2ccccc2nc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512179681 842774334 /nfs/dbraw/zinc/77/43/34/842774334.db2.gz MMHQMBRJTLESLJ-OALUTQOASA-N 2 1 384.568 3.768 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000581953666 842801320 /nfs/dbraw/zinc/80/13/20/842801320.db2.gz VXGMBUZVARQITE-RUZDIDTESA-N 2 1 391.559 3.529 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000471862655 842978710 /nfs/dbraw/zinc/97/87/10/842978710.db2.gz LTIXPRPQNVIDAX-OALUTQOASA-N 2 1 382.533 3.970 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000471862655 842978717 /nfs/dbraw/zinc/97/87/17/842978717.db2.gz LTIXPRPQNVIDAX-OALUTQOASA-N 2 1 382.533 3.970 20 0 GHADMP CC[C@H](C)[N@@H+](Cc1cccc2c1CC[NH2+]C2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000662248500 843014616 /nfs/dbraw/zinc/01/46/16/843014616.db2.gz DHJDSNZDGFHZBO-INIZCTEOSA-N 2 1 376.504 3.782 20 0 GHADMP CC[C@H](C)[N@H+](Cc1cccc2c1CC[NH2+]C2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000662248500 843014621 /nfs/dbraw/zinc/01/46/21/843014621.db2.gz DHJDSNZDGFHZBO-INIZCTEOSA-N 2 1 376.504 3.782 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662291047 843081097 /nfs/dbraw/zinc/08/10/97/843081097.db2.gz NNWUBLMRSVKISQ-WMZOPIPTSA-N 2 1 377.960 3.995 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295181 843086636 /nfs/dbraw/zinc/08/66/36/843086636.db2.gz FTTIURXALJASOL-GOEBONIOSA-N 2 1 383.458 3.744 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC/C=C/c2ccc(Br)cc2)CCO1 ZINC000662319319 843137997 /nfs/dbraw/zinc/13/79/97/843137997.db2.gz HHBJRCAYWREGDS-MTGFJVSHSA-N 2 1 381.358 3.895 20 0 GHADMP CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471876836 843168118 /nfs/dbraw/zinc/16/81/18/843168118.db2.gz ZHBJSAJDQLQZPL-GOTSBHOMSA-N 2 1 379.548 3.561 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000662419228 843210230 /nfs/dbraw/zinc/21/02/30/843210230.db2.gz GAELNVLHRQUADT-REWPJTCUSA-N 2 1 391.559 3.707 20 0 GHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1cc(F)cc(F)c1 ZINC000512251504 843225784 /nfs/dbraw/zinc/22/57/84/843225784.db2.gz HBLINKBFQCNSOQ-QHCPKHFHSA-N 2 1 399.485 3.891 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1cc(F)cc(F)c1 ZINC000512251504 843225792 /nfs/dbraw/zinc/22/57/92/843225792.db2.gz HBLINKBFQCNSOQ-QHCPKHFHSA-N 2 1 399.485 3.891 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cc(F)cc(F)c1 ZINC000512251504 843225800 /nfs/dbraw/zinc/22/58/00/843225800.db2.gz HBLINKBFQCNSOQ-QHCPKHFHSA-N 2 1 399.485 3.891 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178707869 861399668 /nfs/dbraw/zinc/39/96/68/861399668.db2.gz VYEMVYNRXVDJQY-IRXDYDNUSA-N 2 1 389.565 3.895 20 0 GHADMP CCC[N@H+](CCOc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279161 843308031 /nfs/dbraw/zinc/30/80/31/843308031.db2.gz LJUNDKFUGQJHMX-UHFFFAOYSA-N 2 1 386.515 3.992 20 0 GHADMP CCC[N@@H+](CCOc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512279161 843308039 /nfs/dbraw/zinc/30/80/39/843308039.db2.gz LJUNDKFUGQJHMX-UHFFFAOYSA-N 2 1 386.515 3.992 20 0 GHADMP CC(=O)c1ccccc1OCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432672610 843406397 /nfs/dbraw/zinc/40/63/97/843406397.db2.gz UTUQCUITYYARNL-NRFANRHFSA-N 2 1 384.545 3.974 20 0 GHADMP CC[C@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000418681262 843529200 /nfs/dbraw/zinc/52/92/00/843529200.db2.gz VIKDLPFZUZHJBP-XZOQPEGZSA-N 2 1 394.563 3.773 20 0 GHADMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)CC1CC[NH+](C)CC1 ZINC000093089319 843663620 /nfs/dbraw/zinc/66/36/20/843663620.db2.gz TYMZXIQVFIISBT-UHFFFAOYSA-N 2 1 375.520 3.708 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000500623631 843745456 /nfs/dbraw/zinc/74/54/56/843745456.db2.gz IDFWMDRWEZIBGB-GNCJRNFWSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000500623631 843745465 /nfs/dbraw/zinc/74/54/65/843745465.db2.gz IDFWMDRWEZIBGB-GNCJRNFWSA-N 2 1 398.595 3.554 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000500623631 843745472 /nfs/dbraw/zinc/74/54/72/843745472.db2.gz IDFWMDRWEZIBGB-GNCJRNFWSA-N 2 1 398.595 3.554 20 0 GHADMP CCn1c2ccccc2c2cc(C[NH2+]CCCN3CCC[N@@H+](C)CC3)ccc21 ZINC000237005598 843901154 /nfs/dbraw/zinc/90/11/54/843901154.db2.gz LYNJEHNODSEHTO-UHFFFAOYSA-N 2 1 378.564 3.932 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000500781412 844004685 /nfs/dbraw/zinc/00/46/85/844004685.db2.gz VOZCGAMPXPZTQT-IBGZPJMESA-N 2 1 380.621 3.650 20 0 GHADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1Cc1ccc(F)cc1 ZINC000729265568 844819391 /nfs/dbraw/zinc/81/93/91/844819391.db2.gz IOTTWJPVZZUMDS-UHFFFAOYSA-N 2 1 385.527 3.749 20 0 GHADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3CC)cc2Cl)CC1 ZINC000729338256 844860799 /nfs/dbraw/zinc/86/07/99/844860799.db2.gz AUPAEXDKANZBQQ-FQEVSTJZSA-N 2 1 392.975 3.685 20 0 GHADMP O=C1CCCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512647358 844891166 /nfs/dbraw/zinc/89/11/66/844891166.db2.gz HPFWUNBWXXKUKP-YTFSRNRJSA-N 2 1 383.580 3.669 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512659797 844939408 /nfs/dbraw/zinc/93/94/08/844939408.db2.gz JURRKNMBPIZSGB-WXFUMESZSA-N 2 1 391.559 3.535 20 0 GHADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000411248701 845149076 /nfs/dbraw/zinc/14/90/76/845149076.db2.gz BQUDBUFLLOHWNY-NRFANRHFSA-N 2 1 379.552 3.590 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)[C@@H](C)C1 ZINC000248132844 845245277 /nfs/dbraw/zinc/24/52/77/845245277.db2.gz OSBPLFIOLHIOEM-NBNBZIRLSA-N 2 1 399.579 3.546 20 0 GHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549877370 845246182 /nfs/dbraw/zinc/24/61/82/845246182.db2.gz MTYMRZHTIJMMGD-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP COc1ccc(F)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549877370 845246195 /nfs/dbraw/zinc/24/61/95/845246195.db2.gz MTYMRZHTIJMMGD-NRFANRHFSA-N 2 1 398.522 3.853 20 0 GHADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)C2)cc1 ZINC000513344263 845274150 /nfs/dbraw/zinc/27/41/50/845274150.db2.gz YXZYKVJLTYYCNH-RDGATRHJSA-N 2 1 386.543 3.915 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)C2)cc1 ZINC000513344263 845274164 /nfs/dbraw/zinc/27/41/64/845274164.db2.gz YXZYKVJLTYYCNH-RDGATRHJSA-N 2 1 386.543 3.915 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC000513362782 845283794 /nfs/dbraw/zinc/28/37/94/845283794.db2.gz DTEHTAITVBWGTC-JOCHJYFZSA-N 2 1 399.583 3.724 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000512740211 845292151 /nfs/dbraw/zinc/29/21/51/845292151.db2.gz NSNYILOWIQAVEJ-GBXCKJPGSA-N 2 1 393.575 3.820 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000512740211 845292157 /nfs/dbraw/zinc/29/21/57/845292157.db2.gz NSNYILOWIQAVEJ-GBXCKJPGSA-N 2 1 393.575 3.820 20 0 GHADMP C[N@H+](CCC(=O)Nc1cccc(F)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393482 861560906 /nfs/dbraw/zinc/56/09/06/861560906.db2.gz LEUQWKXNDOBTGU-UHFFFAOYSA-N 2 1 384.499 3.788 20 0 GHADMP CC[C@@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000513461829 845483308 /nfs/dbraw/zinc/48/33/08/845483308.db2.gz QJUHFGTWEADGCG-KNQAVFIVSA-N 2 1 390.591 3.520 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1)C1CCOCC1 ZINC000102781461 845584734 /nfs/dbraw/zinc/58/47/34/845584734.db2.gz CCDRHDUADYFUHN-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc2c1C ZINC000472060594 845644049 /nfs/dbraw/zinc/64/40/49/845644049.db2.gz WILBJIIENPVSSB-NZQKXSOJSA-N 2 1 377.532 3.757 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2c1C ZINC000472060594 845644054 /nfs/dbraw/zinc/64/40/54/845644054.db2.gz WILBJIIENPVSSB-NZQKXSOJSA-N 2 1 377.532 3.757 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472080365 845730841 /nfs/dbraw/zinc/73/08/41/845730841.db2.gz NYHMCNRGZPOUDY-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472080365 845730848 /nfs/dbraw/zinc/73/08/48/845730848.db2.gz NYHMCNRGZPOUDY-VQTJNVASSA-N 2 1 392.975 3.603 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)cc(F)c1 ZINC000156926877 845761164 /nfs/dbraw/zinc/76/11/64/845761164.db2.gz UBXYEPNEUSATFN-YJBOKZPZSA-N 2 1 387.474 3.513 20 0 GHADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000563212168 845946256 /nfs/dbraw/zinc/94/62/56/845946256.db2.gz USMUPRUUPZIGNN-AZUAARDMSA-N 2 1 387.549 3.537 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN3C[C@@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358356 846171112 /nfs/dbraw/zinc/17/11/12/846171112.db2.gz BTWWOELPODLZBP-CVEARBPZSA-N 2 1 393.597 3.852 20 0 GHADMP CC(C)N1CCc2nc(CN3C[C@@H](C(=O)OC(C)(C)C)CC[C@H]3C)sc2C1 ZINC000421358356 846171116 /nfs/dbraw/zinc/17/11/16/846171116.db2.gz BTWWOELPODLZBP-CVEARBPZSA-N 2 1 393.597 3.852 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000513683036 846239428 /nfs/dbraw/zinc/23/94/28/846239428.db2.gz FNNIDVZDWKVLTI-KNTRFNDTSA-N 2 1 392.385 3.738 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NCCCC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000502645130 846292432 /nfs/dbraw/zinc/29/24/32/846292432.db2.gz BVKUFJYWRLPPSI-ITAUSPCMSA-N 2 1 392.632 3.983 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1OC ZINC000280283726 846351045 /nfs/dbraw/zinc/35/10/45/846351045.db2.gz MXZUSZCZGLSPQA-QZTJIDSGSA-N 2 1 378.557 3.675 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]2CCC[C@@H]21 ZINC000555716755 861673871 /nfs/dbraw/zinc/67/38/71/861673871.db2.gz YLZMIXCFFUSGEC-PMACEKPBSA-N 2 1 387.593 3.684 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000502821978 846515437 /nfs/dbraw/zinc/51/54/37/846515437.db2.gz AOYIJGVEWPJNMK-UNMCSNQZSA-N 2 1 386.584 3.635 20 0 GHADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501049207 846577482 /nfs/dbraw/zinc/57/74/82/846577482.db2.gz UFKDYDICQITRPT-GOSISDBHSA-N 2 1 380.536 3.819 20 0 GHADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501052109 846604259 /nfs/dbraw/zinc/60/42/59/846604259.db2.gz OIILTORYPWVANY-UHFFFAOYSA-N 2 1 386.927 3.830 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C(C)C)c(F)c1 ZINC000421842073 846632571 /nfs/dbraw/zinc/63/25/71/846632571.db2.gz KOKXRDYJEURZIH-BHIFYINESA-N 2 1 378.532 3.889 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000513707590 846658154 /nfs/dbraw/zinc/65/81/54/846658154.db2.gz FZQNHWJRUUZESB-QETWGEEDSA-N 2 1 395.522 3.964 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000503074595 846777329 /nfs/dbraw/zinc/77/73/29/846777329.db2.gz LIAJBJPFSVHWJX-QZTJIDSGSA-N 2 1 382.552 3.658 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000503074595 846777336 /nfs/dbraw/zinc/77/73/36/846777336.db2.gz LIAJBJPFSVHWJX-QZTJIDSGSA-N 2 1 382.552 3.658 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000503112633 846823298 /nfs/dbraw/zinc/82/32/98/846823298.db2.gz RSDYZJOYYGLJCJ-DENIHFKCSA-N 2 1 394.563 3.690 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)c(C(F)(F)F)c2)n1 ZINC000481562977 861729582 /nfs/dbraw/zinc/72/95/82/861729582.db2.gz NGYASXZHMALDEB-YJYMSZOUSA-N 2 1 380.458 3.938 20 0 GHADMP NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513714125 846903888 /nfs/dbraw/zinc/90/38/88/846903888.db2.gz YQURIZVWTYIGRE-YTFSRNRJSA-N 2 1 377.532 3.566 20 0 GHADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000501519105 846980550 /nfs/dbraw/zinc/98/05/50/846980550.db2.gz JEAPYYIHAPHGMN-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000501521953 846982720 /nfs/dbraw/zinc/98/27/20/846982720.db2.gz YXTDHNPKAMOAMP-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000481568662 861743077 /nfs/dbraw/zinc/74/30/77/861743077.db2.gz DMRSTYHOTQHRDI-URXFXBBRSA-N 3 1 387.612 3.625 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000481568662 861743085 /nfs/dbraw/zinc/74/30/85/861743085.db2.gz DMRSTYHOTQHRDI-URXFXBBRSA-N 2 1 387.612 3.625 20 0 GHADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344583 847121957 /nfs/dbraw/zinc/12/19/57/847121957.db2.gz UEDSKZNFEOCOSM-QFBILLFUSA-N 2 1 390.597 3.661 20 0 GHADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420390941 847156099 /nfs/dbraw/zinc/15/60/99/847156099.db2.gz IARUXVHGRALZPG-YEWWUXTCSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420390941 847156107 /nfs/dbraw/zinc/15/61/07/847156107.db2.gz IARUXVHGRALZPG-YEWWUXTCSA-N 2 1 384.351 3.635 20 0 GHADMP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000272735218 847159454 /nfs/dbraw/zinc/15/94/54/847159454.db2.gz JLENGQLOXYOZND-XXBNENTESA-N 2 1 398.547 3.519 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000272902218 847203255 /nfs/dbraw/zinc/20/32/55/847203255.db2.gz KKJJUKZYGWUUNK-PGRDOPGGSA-N 2 1 395.547 3.552 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000272933312 847211346 /nfs/dbraw/zinc/21/13/46/847211346.db2.gz ZWSKQTYZEOEOGS-GCJKJVERSA-N 2 1 379.504 3.643 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C)nc(-c4cccs4)n3)CC2)CC1 ZINC000420626266 847335543 /nfs/dbraw/zinc/33/55/43/847335543.db2.gz LKBXNRCTODTZIZ-UHFFFAOYSA-N 2 1 385.581 3.510 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C)nc(-c4cccs4)n3)CC2)CC1 ZINC000420626266 847335548 /nfs/dbraw/zinc/33/55/48/847335548.db2.gz LKBXNRCTODTZIZ-UHFFFAOYSA-N 2 1 385.581 3.510 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903525 847521870 /nfs/dbraw/zinc/52/18/70/847521870.db2.gz ATZMHGQGFGOCHF-URXFXBBRSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903525 847521879 /nfs/dbraw/zinc/52/18/79/847521879.db2.gz ATZMHGQGFGOCHF-URXFXBBRSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903525 847521886 /nfs/dbraw/zinc/52/18/86/847521886.db2.gz ATZMHGQGFGOCHF-URXFXBBRSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903525 847521898 /nfs/dbraw/zinc/52/18/98/847521898.db2.gz ATZMHGQGFGOCHF-URXFXBBRSA-N 2 1 385.596 3.605 20 0 GHADMP CN1c2ccccc2[C@@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000582575985 847675080 /nfs/dbraw/zinc/67/50/80/847675080.db2.gz PEIIMSWZBXUBPA-UNMCSNQZSA-N 2 1 377.532 3.986 20 0 GHADMP CN1c2ccccc2[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000582575985 847675087 /nfs/dbraw/zinc/67/50/87/847675087.db2.gz PEIIMSWZBXUBPA-UNMCSNQZSA-N 2 1 377.532 3.986 20 0 GHADMP CN1c2ccccc2[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000582575985 847675093 /nfs/dbraw/zinc/67/50/93/847675093.db2.gz PEIIMSWZBXUBPA-UNMCSNQZSA-N 2 1 377.532 3.986 20 0 GHADMP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000502279155 847685358 /nfs/dbraw/zinc/68/53/58/847685358.db2.gz DCPHJBOQGREDNA-IBGZPJMESA-N 2 1 398.547 3.565 20 0 GHADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422726153 847798949 /nfs/dbraw/zinc/79/89/49/847798949.db2.gz DGLCNGCSXUJNLX-SNYIIPAISA-N 2 1 379.548 3.961 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726804 847800047 /nfs/dbraw/zinc/80/00/47/847800047.db2.gz AMWJUUQNTTZCNI-RBZQAINGSA-N 3 1 385.596 3.698 20 0 GHADMP C[N@H+](Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726804 847800054 /nfs/dbraw/zinc/80/00/54/847800054.db2.gz AMWJUUQNTTZCNI-RBZQAINGSA-N 2 1 385.596 3.698 20 0 GHADMP C[N@@H+](Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000422726804 847800060 /nfs/dbraw/zinc/80/00/60/847800060.db2.gz AMWJUUQNTTZCNI-RBZQAINGSA-N 2 1 385.596 3.698 20 0 GHADMP C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1c[nH+]ccc1N ZINC000422772809 847817572 /nfs/dbraw/zinc/81/75/72/847817572.db2.gz YXNXUFIBDZSJIK-CQSZACIVSA-N 2 1 379.426 3.912 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764230 847823751 /nfs/dbraw/zinc/82/37/51/847823751.db2.gz PPQWPIOXVBWYRS-BJYDCXRDSA-N 2 1 381.486 3.961 20 0 GHADMP CN1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764230 847823758 /nfs/dbraw/zinc/82/37/58/847823758.db2.gz PPQWPIOXVBWYRS-BJYDCXRDSA-N 2 1 381.486 3.961 20 0 GHADMP CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422862857 847859812 /nfs/dbraw/zinc/85/98/12/847859812.db2.gz QOKYXINPGLKJDU-XQXKNUKBSA-N 2 1 384.568 3.657 20 0 GHADMP c1ccc(CCN2CCC([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CC2)cc1 ZINC000422842373 847862458 /nfs/dbraw/zinc/86/24/58/847862458.db2.gz FQMLMHFVXBRRTN-NOZRDPDXSA-N 2 1 391.559 3.539 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000503726814 847925387 /nfs/dbraw/zinc/92/53/87/847925387.db2.gz MFZHRQSCJZQRBR-WIYYLYMNSA-N 2 1 384.568 3.528 20 0 GHADMP CCOC(=O)C1([C@H](C)Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)CC[NH2+]CC1 ZINC000423048218 847942367 /nfs/dbraw/zinc/94/23/67/847942367.db2.gz WCBXCGDWYSTUTN-HNNXBMFYSA-N 2 1 386.540 3.604 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000611685724 847948758 /nfs/dbraw/zinc/94/87/58/847948758.db2.gz FRQLAXHBQVPQQU-YLJYHZDGSA-N 2 1 392.975 3.508 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000582660846 847953137 /nfs/dbraw/zinc/95/31/37/847953137.db2.gz QTZUBYPEQJTCLB-HXUWFJFHSA-N 2 1 380.536 3.878 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c4cccnc34)cc2)C1 ZINC000657594861 848288788 /nfs/dbraw/zinc/28/87/88/848288788.db2.gz DSYMNUZWCXBUOC-IBGZPJMESA-N 2 1 381.907 3.745 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3OC3CCCC3)cc2)C1 ZINC000657596381 848289915 /nfs/dbraw/zinc/28/99/15/848289915.db2.gz VTYWUPZMCARDBW-JOCHJYFZSA-N 2 1 380.532 3.864 20 0 GHADMP Cc1ccc(N[C@@H](Cc2ccccc2)[C@@H](O)C[C@@H]([NH3+])Cc2ccccc2)[nH+]c1 ZINC001167637385 848688177 /nfs/dbraw/zinc/68/81/77/848688177.db2.gz VWRYUSXBUGFEPZ-VABKMULXSA-N 2 1 375.516 3.734 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000472272996 848747385 /nfs/dbraw/zinc/74/73/85/848747385.db2.gz HQDNSTGNCWNRIP-WOJBJXKFSA-N 2 1 389.584 3.878 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000472272996 848747389 /nfs/dbraw/zinc/74/73/89/848747389.db2.gz HQDNSTGNCWNRIP-WOJBJXKFSA-N 2 1 389.584 3.878 20 0 GHADMP C[N@H+]1CCCC[C@H]1c1ccc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)nc1 ZINC001167642146 848764739 /nfs/dbraw/zinc/76/47/39/848764739.db2.gz DBUZZYVDCKOBTR-DKTYTTGXSA-N 2 1 388.556 3.632 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000472272912 848780073 /nfs/dbraw/zinc/78/00/73/848780073.db2.gz FUYBTZMGIOAIHB-HXUWFJFHSA-N 2 1 386.540 3.793 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000472272912 848780081 /nfs/dbraw/zinc/78/00/81/848780081.db2.gz FUYBTZMGIOAIHB-HXUWFJFHSA-N 2 1 386.540 3.793 20 0 GHADMP C[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000167307404 861942556 /nfs/dbraw/zinc/94/25/56/861942556.db2.gz KTLYUCLONIVYHS-WMZHIEFXSA-N 2 1 379.548 3.693 20 0 GHADMP [NH3+]Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000238066939 848948868 /nfs/dbraw/zinc/94/88/68/848948868.db2.gz JJPMDCOXGOGQJD-OAQYLSRUSA-N 2 1 391.540 3.736 20 0 GHADMP [NH3+]Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000238066939 848948872 /nfs/dbraw/zinc/94/88/72/848948872.db2.gz JJPMDCOXGOGQJD-OAQYLSRUSA-N 2 1 391.540 3.736 20 0 GHADMP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000583124141 849120564 /nfs/dbraw/zinc/12/05/64/849120564.db2.gz UZWQDNOLVRSWJW-PKTZIBPZSA-N 2 1 382.548 3.627 20 0 GHADMP COC(=O)c1ccc(OC)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001167658257 849297284 /nfs/dbraw/zinc/29/72/84/849297284.db2.gz DGNNUVWOFYOHEM-SFHVURJKSA-N 2 1 388.552 3.958 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCOc3ccccc32)CC1 ZINC001167658615 849303642 /nfs/dbraw/zinc/30/36/42/849303642.db2.gz JFKZEBSZVNHBDQ-FQEVSTJZSA-N 2 1 399.579 3.779 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CC2)oc1C ZINC000162760505 849438949 /nfs/dbraw/zinc/43/89/49/849438949.db2.gz JHQJBDSJRSXHOD-JWIGPWBQSA-N 2 1 389.565 3.592 20 0 GHADMP O=c1ccccn1C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000503926892 849765990 /nfs/dbraw/zinc/76/59/90/849765990.db2.gz HWBMAKJQUJALHZ-HSZRJFAPSA-N 2 1 379.548 3.976 20 0 GHADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(I)cc1 ZINC000423183951 849775634 /nfs/dbraw/zinc/77/56/34/849775634.db2.gz HAFJSWFHOFXGND-AWEZNQCLSA-N 2 1 395.288 3.517 20 0 GHADMP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000503953974 849797882 /nfs/dbraw/zinc/79/78/82/849797882.db2.gz RXRXULDLOGZHBI-FBMGVBCBSA-N 2 1 381.486 3.822 20 0 GHADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000414729944 849841768 /nfs/dbraw/zinc/84/17/68/849841768.db2.gz GEFMYKRBHVWRKX-NWDGAFQWSA-N 2 1 377.838 3.617 20 0 GHADMP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423427509 849924506 /nfs/dbraw/zinc/92/45/06/849924506.db2.gz IKURIGCVLPLWIG-FHOOGIDHSA-N 2 1 378.339 3.749 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000732087223 862072043 /nfs/dbraw/zinc/07/20/43/862072043.db2.gz YEVBTOSFCUOPTG-UHFFFAOYSA-N 2 1 388.943 3.750 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000423835496 850068970 /nfs/dbraw/zinc/06/89/70/850068970.db2.gz VKAVBXNTYULAML-WSXQUGQNSA-N 2 1 389.902 3.922 20 0 GHADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000435380607 850445217 /nfs/dbraw/zinc/44/52/17/850445217.db2.gz RSULHBMWMMILNA-UHFFFAOYSA-N 2 1 377.330 3.661 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424426877 850460280 /nfs/dbraw/zinc/46/02/80/850460280.db2.gz BDFYFBKAUXKUIF-OEWRPIJISA-N 2 1 380.536 3.732 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000435393936 850462271 /nfs/dbraw/zinc/46/22/71/850462271.db2.gz IYDBPCIXYSSNCN-WCRBZPEASA-N 2 1 379.504 3.662 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000435393936 850462275 /nfs/dbraw/zinc/46/22/75/850462275.db2.gz IYDBPCIXYSSNCN-WCRBZPEASA-N 2 1 379.504 3.662 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822468 850472874 /nfs/dbraw/zinc/47/28/74/850472874.db2.gz PNFWQUIJAFYGDH-XLIONFOSSA-N 2 1 376.520 3.534 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822468 850472879 /nfs/dbraw/zinc/47/28/79/850472879.db2.gz PNFWQUIJAFYGDH-XLIONFOSSA-N 2 1 376.520 3.534 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000439822468 850472885 /nfs/dbraw/zinc/47/28/85/850472885.db2.gz PNFWQUIJAFYGDH-XLIONFOSSA-N 2 1 376.520 3.534 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487217539 850570230 /nfs/dbraw/zinc/57/02/30/850570230.db2.gz GUPZMWRNQAPUSR-FPOVZHCZSA-N 2 1 395.950 3.851 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000487217539 850570238 /nfs/dbraw/zinc/57/02/38/850570238.db2.gz GUPZMWRNQAPUSR-FPOVZHCZSA-N 2 1 395.950 3.851 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000505116337 850617601 /nfs/dbraw/zinc/61/76/01/850617601.db2.gz ZMPNTIAZXNPHFQ-HXUWFJFHSA-N 2 1 387.474 3.844 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)c1 ZINC000519160424 850686586 /nfs/dbraw/zinc/68/65/86/850686586.db2.gz KICDQSMVRNZDRT-UHFFFAOYSA-N 2 1 393.575 3.999 20 0 GHADMP CN(c1ccccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3)C1CC[NH+](C)CC1 ZINC000668785101 850769543 /nfs/dbraw/zinc/76/95/43/850769543.db2.gz LVGKGGQEBWLQHT-PSWAGMNNSA-N 2 1 383.580 3.610 20 0 GHADMP Cc1cccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000435696465 850778239 /nfs/dbraw/zinc/77/82/39/850778239.db2.gz PWVYAJUXOPSZIU-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP Cc1cccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000435696465 850778245 /nfs/dbraw/zinc/77/82/45/850778245.db2.gz PWVYAJUXOPSZIU-FQEVSTJZSA-N 2 1 383.561 3.948 20 0 GHADMP COc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(-c2ccccc2)cc1OC ZINC000668786245 850786853 /nfs/dbraw/zinc/78/68/53/850786853.db2.gz XLQYFEVITSISDP-NRFANRHFSA-N 2 1 398.547 3.913 20 0 GHADMP COc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(-c2ccccc2)cc1OC ZINC000668786245 850786858 /nfs/dbraw/zinc/78/68/58/850786858.db2.gz XLQYFEVITSISDP-NRFANRHFSA-N 2 1 398.547 3.913 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000505338316 850832685 /nfs/dbraw/zinc/83/26/85/850832685.db2.gz OLHWSVUFPRNPOL-FQEVSTJZSA-N 2 1 387.474 3.844 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1cccs1 ZINC000513847349 850946731 /nfs/dbraw/zinc/94/67/31/850946731.db2.gz JIXFKHYTBMHCFA-GOSISDBHSA-N 2 1 388.581 3.561 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487872938 850960169 /nfs/dbraw/zinc/96/01/69/850960169.db2.gz KTKASJMLLMRAGG-GOTSBHOMSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000515414084 850996581 /nfs/dbraw/zinc/99/65/81/850996581.db2.gz AMIOWFSNNHSBAR-XMSQKQJNSA-N 2 1 379.504 3.524 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c2cccs2)CC1 ZINC000519475032 851104620 /nfs/dbraw/zinc/10/46/20/851104620.db2.gz IVXZDBGBTYQBQA-FPOVZHCZSA-N 2 1 385.577 3.940 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000514033247 851149111 /nfs/dbraw/zinc/14/91/11/851149111.db2.gz RHBATIYWLFVOEX-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1)CC1CC1 ZINC000514127184 851269444 /nfs/dbraw/zinc/26/94/44/851269444.db2.gz RHISAUPAKAXPGI-HSZRJFAPSA-N 2 1 397.607 3.983 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC000894455296 851354769 /nfs/dbraw/zinc/35/47/69/851354769.db2.gz CNKIHFVDWMACPJ-UHFFFAOYSA-N 2 1 385.512 3.517 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(NC(=O)OC(C)(C)C)nn2)cc1 ZINC000894455296 851354775 /nfs/dbraw/zinc/35/47/75/851354775.db2.gz CNKIHFVDWMACPJ-UHFFFAOYSA-N 2 1 385.512 3.517 20 0 GHADMP CC(C)C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167969487 851376351 /nfs/dbraw/zinc/37/63/51/851376351.db2.gz CZLLLRDYSMGYQG-SEBOWIOWSA-N 2 1 379.589 3.921 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000514221732 851415284 /nfs/dbraw/zinc/41/52/84/851415284.db2.gz JNXHKCZLHOJNDH-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436313713 851447105 /nfs/dbraw/zinc/44/71/05/851447105.db2.gz LYYCXSCOURBTTN-DLBZAZTESA-N 2 1 376.850 3.826 20 0 GHADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000488427524 851494605 /nfs/dbraw/zinc/49/46/05/851494605.db2.gz VAOBHLWRJWWJID-KNQAVFIVSA-N 2 1 392.609 3.796 20 0 GHADMP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[C@H]1C ZINC000303146598 851534985 /nfs/dbraw/zinc/53/49/85/851534985.db2.gz FJFPJAPYRGTBFH-QTEQDKRBSA-N 2 1 385.596 3.771 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000515843445 851553170 /nfs/dbraw/zinc/55/31/70/851553170.db2.gz HPILEQLFTPRUFM-HXUWFJFHSA-N 2 1 380.621 3.652 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000515843445 851553179 /nfs/dbraw/zinc/55/31/79/851553179.db2.gz HPILEQLFTPRUFM-HXUWFJFHSA-N 2 1 380.621 3.652 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000515843445 851553189 /nfs/dbraw/zinc/55/31/89/851553189.db2.gz HPILEQLFTPRUFM-HXUWFJFHSA-N 2 1 380.621 3.652 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000488511803 851575876 /nfs/dbraw/zinc/57/58/76/851575876.db2.gz HOEPHJSPFMCQRH-NWSQWKLXSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000488511803 851575880 /nfs/dbraw/zinc/57/58/80/851575880.db2.gz HOEPHJSPFMCQRH-NWSQWKLXSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000488511803 851575891 /nfs/dbraw/zinc/57/58/91/851575891.db2.gz HOEPHJSPFMCQRH-NWSQWKLXSA-N 2 1 383.580 3.668 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)c1ccccc1 ZINC000171457929 862266915 /nfs/dbraw/zinc/26/69/15/862266915.db2.gz QGRXIVSVSBBMGV-HSZRJFAPSA-N 2 1 394.563 3.850 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303745188 851679665 /nfs/dbraw/zinc/67/96/65/851679665.db2.gz JSOQWIDLEWZLQW-AKIFATBCSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303745188 851679669 /nfs/dbraw/zinc/67/96/69/851679669.db2.gz JSOQWIDLEWZLQW-AKIFATBCSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303745188 851679672 /nfs/dbraw/zinc/67/96/72/851679672.db2.gz JSOQWIDLEWZLQW-AKIFATBCSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303745188 851679673 /nfs/dbraw/zinc/67/96/73/851679673.db2.gz JSOQWIDLEWZLQW-AKIFATBCSA-N 2 1 382.548 3.720 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550202294 851906036 /nfs/dbraw/zinc/90/60/36/851906036.db2.gz YFRMDCOBXUMFGW-LDBYXDLTSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550202294 851906040 /nfs/dbraw/zinc/90/60/40/851906040.db2.gz YFRMDCOBXUMFGW-LDBYXDLTSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550202294 851906044 /nfs/dbraw/zinc/90/60/44/851906044.db2.gz YFRMDCOBXUMFGW-LDBYXDLTSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414885069 851915007 /nfs/dbraw/zinc/91/50/07/851915007.db2.gz VFXLEKYBJAZWNB-CQSZACIVSA-N 2 1 380.305 3.684 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000101792462 851915710 /nfs/dbraw/zinc/91/57/10/851915710.db2.gz WJZFLGWTFBLVSN-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000101792462 851915712 /nfs/dbraw/zinc/91/57/12/851915712.db2.gz WJZFLGWTFBLVSN-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CCCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000101792462 851915718 /nfs/dbraw/zinc/91/57/18/851915718.db2.gz WJZFLGWTFBLVSN-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000732469829 862306448 /nfs/dbraw/zinc/30/64/48/862306448.db2.gz SKFUNRIFDRMWTF-LJQANCHMSA-N 2 1 388.600 3.790 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000489070483 851967436 /nfs/dbraw/zinc/96/74/36/851967436.db2.gz AGDIOEFKUCEVRS-DENIHFKCSA-N 2 1 386.584 3.633 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438185792 852117640 /nfs/dbraw/zinc/11/76/40/852117640.db2.gz FBZYIMCJDIHWJI-ROHNOIKCSA-N 2 1 378.560 3.870 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000438185792 852117648 /nfs/dbraw/zinc/11/76/48/852117648.db2.gz FBZYIMCJDIHWJI-ROHNOIKCSA-N 2 1 378.560 3.870 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982814 852120145 /nfs/dbraw/zinc/12/01/45/852120145.db2.gz BDZPDCUKWHZMFH-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982814 852120152 /nfs/dbraw/zinc/12/01/52/852120152.db2.gz BDZPDCUKWHZMFH-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982814 852120158 /nfs/dbraw/zinc/12/01/58/852120158.db2.gz BDZPDCUKWHZMFH-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982814 852120166 /nfs/dbraw/zinc/12/01/66/852120166.db2.gz BDZPDCUKWHZMFH-DAABDDCCSA-N 2 1 377.573 3.723 20 0 GHADMP CC(C)[C@H](C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)N1CC[NH+](C)CC1 ZINC000030665258 862337143 /nfs/dbraw/zinc/33/71/43/862337143.db2.gz BCOBNIHQGQFQDX-IBGZPJMESA-N 2 1 398.576 3.918 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438329229 852253982 /nfs/dbraw/zinc/25/39/82/852253982.db2.gz PUULBYHMPDERCW-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000044229525 852268058 /nfs/dbraw/zinc/26/80/58/852268058.db2.gz LSMYZRHDIAHMJZ-IBGZPJMESA-N 2 1 385.581 3.826 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000044229525 852268071 /nfs/dbraw/zinc/26/80/71/852268071.db2.gz LSMYZRHDIAHMJZ-IBGZPJMESA-N 2 1 385.581 3.826 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000489790116 852587369 /nfs/dbraw/zinc/58/73/69/852587369.db2.gz RQEUUZJZEKKGHY-BVYCBKJFSA-N 2 1 386.584 3.733 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000507174085 852643436 /nfs/dbraw/zinc/64/34/36/852643436.db2.gz QFMGCAGWROYLQK-QFIPXVFZSA-N 2 1 393.579 3.863 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000507174085 852643441 /nfs/dbraw/zinc/64/34/41/852643441.db2.gz QFMGCAGWROYLQK-QFIPXVFZSA-N 2 1 393.579 3.863 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(OC)ncc3F)CC2)cs1 ZINC000516502103 852656053 /nfs/dbraw/zinc/65/60/53/852656053.db2.gz SLTXVJDACHBPJS-CQSZACIVSA-N 2 1 392.544 3.811 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)COc1ccc(Cl)cc1 ZINC000516563078 852727311 /nfs/dbraw/zinc/72/73/11/852727311.db2.gz RGFYGPDIUMFSKQ-SJLPKXTDSA-N 2 1 394.968 3.643 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)COc1ccc(Cl)cc1 ZINC000516563078 852727316 /nfs/dbraw/zinc/72/73/16/852727316.db2.gz RGFYGPDIUMFSKQ-SJLPKXTDSA-N 2 1 394.968 3.643 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCc3cccc(F)c3)CC2)CC1 ZINC000490103371 852755785 /nfs/dbraw/zinc/75/57/85/852755785.db2.gz QCRHQJJABOCBBG-UHFFFAOYSA-N 3 1 375.576 3.886 20 0 GHADMP C[N@H+](CCCc1cccc(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000490103371 852755789 /nfs/dbraw/zinc/75/57/89/852755789.db2.gz QCRHQJJABOCBBG-UHFFFAOYSA-N 3 1 375.576 3.886 20 0 GHADMP C[N@@H+](CCCc1cccc(F)c1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000490103371 852755793 /nfs/dbraw/zinc/75/57/93/852755793.db2.gz QCRHQJJABOCBBG-UHFFFAOYSA-N 3 1 375.576 3.886 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000925036958 852794742 /nfs/dbraw/zinc/79/47/42/852794742.db2.gz JDROULNETQJGQL-UHFFFAOYSA-N 2 1 378.605 3.545 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490278223 852913461 /nfs/dbraw/zinc/91/34/61/852913461.db2.gz WJILBGKXMABMKV-APWZRJJASA-N 2 1 391.357 3.536 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490278223 852913463 /nfs/dbraw/zinc/91/34/63/852913463.db2.gz WJILBGKXMABMKV-APWZRJJASA-N 2 1 391.357 3.536 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000518168231 853007187 /nfs/dbraw/zinc/00/71/87/853007187.db2.gz AIEKTCDCCJFJGT-HZPDHXFCSA-N 2 1 389.367 3.835 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112373813 853048161 /nfs/dbraw/zinc/04/81/61/853048161.db2.gz MCBSTYJTNIJPNE-ZDUSSCGKSA-N 2 1 388.313 3.770 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491041 853193296 /nfs/dbraw/zinc/19/32/96/853193296.db2.gz CJSNQOPERMEKSG-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491041 853193300 /nfs/dbraw/zinc/19/33/00/853193300.db2.gz CJSNQOPERMEKSG-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491041 853193307 /nfs/dbraw/zinc/19/33/07/853193307.db2.gz CJSNQOPERMEKSG-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491041 853193311 /nfs/dbraw/zinc/19/33/11/853193311.db2.gz CJSNQOPERMEKSG-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823708 853276104 /nfs/dbraw/zinc/27/61/04/853276104.db2.gz IQJRXVYEDWRLFJ-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823708 853276111 /nfs/dbraw/zinc/27/61/11/853276111.db2.gz IQJRXVYEDWRLFJ-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823708 853276118 /nfs/dbraw/zinc/27/61/18/853276118.db2.gz IQJRXVYEDWRLFJ-PTUXOGIPSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490817652 853289453 /nfs/dbraw/zinc/28/94/53/853289453.db2.gz YGSCTASGRIVEDI-ZTCOLXNVSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490817652 853289457 /nfs/dbraw/zinc/28/94/57/853289457.db2.gz YGSCTASGRIVEDI-ZTCOLXNVSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490817652 853289460 /nfs/dbraw/zinc/28/94/60/853289460.db2.gz YGSCTASGRIVEDI-ZTCOLXNVSA-N 2 1 391.559 3.678 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnnn3Cc3ccccc3)c2)CC1 ZINC000490890422 853335971 /nfs/dbraw/zinc/33/59/71/853335971.db2.gz YNDIHZXZQPLXPU-UHFFFAOYSA-N 2 1 389.547 3.848 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669117763 853415704 /nfs/dbraw/zinc/41/57/04/853415704.db2.gz IANFSNWFBWQQAE-GOSISDBHSA-N 2 1 392.547 3.664 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439215193 853430944 /nfs/dbraw/zinc/43/09/44/853430944.db2.gz PNLVNPDCZAARKT-QFIPXVFZSA-N 2 1 388.600 3.790 20 0 GHADMP CC[N@@H+](CCc1cccs1)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000518512920 853449758 /nfs/dbraw/zinc/44/97/58/853449758.db2.gz GSJFMCUIQQEPRD-UHFFFAOYSA-N 2 1 399.604 3.655 20 0 GHADMP CC[NH+](CCc1cccs1)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000518512920 853449763 /nfs/dbraw/zinc/44/97/63/853449763.db2.gz GSJFMCUIQQEPRD-UHFFFAOYSA-N 2 1 399.604 3.655 20 0 GHADMP CC[NH+](CCc1cccs1)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000518512920 853449771 /nfs/dbraw/zinc/44/97/71/853449771.db2.gz GSJFMCUIQQEPRD-UHFFFAOYSA-N 2 1 399.604 3.655 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@@H+](C2CC[NH+](CC4CC4)CC2)CC3)cc1 ZINC001168377167 853464421 /nfs/dbraw/zinc/46/44/21/853464421.db2.gz DFISYVZSZGRJDK-UHFFFAOYSA-N 2 1 380.511 3.558 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+](C2CC[NH+](CC4CC4)CC2)CC3)cc1 ZINC001168377167 853464427 /nfs/dbraw/zinc/46/44/27/853464427.db2.gz DFISYVZSZGRJDK-UHFFFAOYSA-N 2 1 380.511 3.558 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](NC4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964227 853466521 /nfs/dbraw/zinc/46/65/21/853466521.db2.gz NWIZCWPQVVXWMY-IZSADCMBSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964227 853466527 /nfs/dbraw/zinc/46/65/27/853466527.db2.gz NWIZCWPQVVXWMY-IZSADCMBSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964227 853466533 /nfs/dbraw/zinc/46/65/33/853466533.db2.gz NWIZCWPQVVXWMY-IZSADCMBSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964227 853466541 /nfs/dbraw/zinc/46/65/41/853466541.db2.gz NWIZCWPQVVXWMY-IZSADCMBSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964227 853466546 /nfs/dbraw/zinc/46/65/46/853466546.db2.gz NWIZCWPQVVXWMY-IZSADCMBSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964227 853466551 /nfs/dbraw/zinc/46/65/51/853466551.db2.gz NWIZCWPQVVXWMY-IZSADCMBSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@H]3C2)cc1 ZINC001167964227 853466557 /nfs/dbraw/zinc/46/65/57/853466557.db2.gz NWIZCWPQVVXWMY-IZSADCMBSA-N 3 1 379.592 3.892 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@@H]2C ZINC001167988211 853511061 /nfs/dbraw/zinc/51/10/61/853511061.db2.gz IPGYADPXZARINT-OKCRPCIYSA-N 2 1 385.600 3.505 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)[C@@H]2C ZINC001167988211 853511067 /nfs/dbraw/zinc/51/10/67/853511067.db2.gz IPGYADPXZARINT-OKCRPCIYSA-N 2 1 385.600 3.505 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)[C@@H]2C ZINC001167988211 853511076 /nfs/dbraw/zinc/51/10/76/853511076.db2.gz IPGYADPXZARINT-OKCRPCIYSA-N 2 1 385.600 3.505 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000519850292 853545449 /nfs/dbraw/zinc/54/54/49/853545449.db2.gz SGZMZQUNHLFAGE-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)CC1 ZINC000519921094 853622767 /nfs/dbraw/zinc/62/27/67/853622767.db2.gz LEEDBNMMOGXYRR-NRFANRHFSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000519921094 853622773 /nfs/dbraw/zinc/62/27/73/853622773.db2.gz LEEDBNMMOGXYRR-NRFANRHFSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000519921094 853622778 /nfs/dbraw/zinc/62/27/78/853622778.db2.gz LEEDBNMMOGXYRR-NRFANRHFSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)OC(C)(C)CC3=O)no1 ZINC001212144737 853647527 /nfs/dbraw/zinc/64/75/27/853647527.db2.gz BOADUXLRIKWERA-INIZCTEOSA-N 2 1 386.496 3.649 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000604790237 862487317 /nfs/dbraw/zinc/48/73/17/862487317.db2.gz IANQLEWSZBMSKD-PMACEKPBSA-N 2 1 391.559 3.775 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000604790237 862487326 /nfs/dbraw/zinc/48/73/26/862487326.db2.gz IANQLEWSZBMSKD-PMACEKPBSA-N 2 1 391.559 3.775 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168378134 853752093 /nfs/dbraw/zinc/75/20/93/853752093.db2.gz LKFKIBSOMWTPTA-UHFFFAOYSA-N 2 1 391.600 3.974 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093959 853826501 /nfs/dbraw/zinc/82/65/01/853826501.db2.gz PWZGJMADLHCUST-CTNGQTDRSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520093959 853826510 /nfs/dbraw/zinc/82/65/10/853826510.db2.gz PWZGJMADLHCUST-CTNGQTDRSA-N 2 1 389.559 3.809 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520093959 853826516 /nfs/dbraw/zinc/82/65/16/853826516.db2.gz PWZGJMADLHCUST-CTNGQTDRSA-N 2 1 389.559 3.809 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[NH+](C)C)cc1 ZINC000520108719 853851640 /nfs/dbraw/zinc/85/16/40/853851640.db2.gz TXENBHPEDWVNAY-FYYLOGMGSA-N 2 1 397.538 3.765 20 0 GHADMP CC1(C)CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cc(Br)ccc21 ZINC000481912793 862509430 /nfs/dbraw/zinc/50/94/30/862509430.db2.gz BQXYLSLOFLQBAF-IBGZPJMESA-N 2 1 395.385 3.998 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)Cc2ccccc2C)CC1 ZINC000520170032 853923752 /nfs/dbraw/zinc/92/37/52/853923752.db2.gz VVIIZHDPLSQYNX-UHFFFAOYSA-N 2 1 379.548 3.598 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)Cc2ccccc2C)CC1 ZINC000520170032 853923756 /nfs/dbraw/zinc/92/37/56/853923756.db2.gz VVIIZHDPLSQYNX-UHFFFAOYSA-N 2 1 379.548 3.598 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000164411498 854003609 /nfs/dbraw/zinc/00/36/09/854003609.db2.gz IOAZJTURZREWTI-KRWDZBQOSA-N 2 1 390.549 3.741 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000164411498 854003610 /nfs/dbraw/zinc/00/36/10/854003610.db2.gz IOAZJTURZREWTI-KRWDZBQOSA-N 2 1 390.549 3.741 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOC(c1ccccc1)c1ccccc1 ZINC000441238775 854010482 /nfs/dbraw/zinc/01/04/82/854010482.db2.gz UYHPKSHYACWCSH-SGNDLWITSA-N 2 1 394.559 3.976 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC000571733548 854032189 /nfs/dbraw/zinc/03/21/89/854032189.db2.gz CXRWRVFSFLANKY-UHFFFAOYSA-N 2 1 389.503 3.859 20 0 GHADMP CC(C)C[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000441405711 854201464 /nfs/dbraw/zinc/20/14/64/854201464.db2.gz PWENRCHXWYEZFA-AKIFATBCSA-N 2 1 383.580 3.839 20 0 GHADMP CCOC[C@H]1COCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167992079 854279962 /nfs/dbraw/zinc/27/99/62/854279962.db2.gz HBBMYBFBTRLITM-CCDCCJRHSA-N 2 1 376.585 3.547 20 0 GHADMP CCOC[C@H]1COCCC12CC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167992079 854279972 /nfs/dbraw/zinc/27/99/72/854279972.db2.gz HBBMYBFBTRLITM-CCDCCJRHSA-N 2 1 376.585 3.547 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C[C@H](C)O1 ZINC000588709612 854369622 /nfs/dbraw/zinc/36/96/22/854369622.db2.gz KYBVMAFROQSFHO-IRXDYDNUSA-N 2 1 387.499 3.802 20 0 GHADMP COCCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000282495317 862557984 /nfs/dbraw/zinc/55/79/84/862557984.db2.gz XUQVDKLMCSQIPC-GOTSBHOMSA-N 2 1 386.511 3.650 20 0 GHADMP CCN(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473947397 854374902 /nfs/dbraw/zinc/37/49/02/854374902.db2.gz RZRHHPAHCPTTQK-XXBNENTESA-N 2 1 398.595 3.728 20 0 GHADMP C[C@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000572119225 854399644 /nfs/dbraw/zinc/39/96/44/854399644.db2.gz POIYPVZRHXVMHX-IFMALSPDSA-N 2 1 383.580 3.527 20 0 GHADMP c1ccc2c(c1)CC[NH+](C1CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC1)C2 ZINC001167994523 854438114 /nfs/dbraw/zinc/43/81/14/854438114.db2.gz HIZZGTVGYOMVQN-XMGLRAKGSA-N 2 1 379.592 3.915 20 0 GHADMP c1ccc2c(c1)CC[N@@H+](C1CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC1)C2 ZINC001167994523 854438118 /nfs/dbraw/zinc/43/81/18/854438118.db2.gz HIZZGTVGYOMVQN-XMGLRAKGSA-N 2 1 379.592 3.915 20 0 GHADMP c1ccc2c(c1)CC[N@H+](C1CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC1)C2 ZINC001167994523 854438125 /nfs/dbraw/zinc/43/81/25/854438125.db2.gz HIZZGTVGYOMVQN-XMGLRAKGSA-N 2 1 379.592 3.915 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000572480987 854517791 /nfs/dbraw/zinc/51/77/91/854517791.db2.gz JRKASORPFWLCHG-BJKOFHAPSA-N 2 1 391.559 3.780 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CCO2)cc1 ZINC001168599989 854636989 /nfs/dbraw/zinc/63/69/89/854636989.db2.gz IRBDFGCWZGMDPA-AZKGINQHSA-N 2 1 378.516 3.635 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CCO2)cc1 ZINC001168599989 854636990 /nfs/dbraw/zinc/63/69/90/854636990.db2.gz IRBDFGCWZGMDPA-AZKGINQHSA-N 2 1 378.516 3.635 20 0 GHADMP CC(C)=CCC[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458976574 854998255 /nfs/dbraw/zinc/99/82/55/854998255.db2.gz LEVMWJIZZAOOOJ-HXUWFJFHSA-N 2 1 392.632 3.959 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cn2)cc1 ZINC000189135374 855019721 /nfs/dbraw/zinc/01/97/21/855019721.db2.gz GANUHOFYMQMQNQ-JOCHJYFZSA-N 2 1 392.522 3.725 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cn2)cc1 ZINC000189135374 855019731 /nfs/dbraw/zinc/01/97/31/855019731.db2.gz GANUHOFYMQMQNQ-JOCHJYFZSA-N 2 1 392.522 3.725 20 0 GHADMP FC(F)(F)c1cc(Cl)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000189221710 855035554 /nfs/dbraw/zinc/03/55/54/855035554.db2.gz ZKIGRRTXDHPEGI-ZDUSSCGKSA-N 2 1 376.850 3.949 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000589836000 855158139 /nfs/dbraw/zinc/15/81/39/855158139.db2.gz COBQAGRBCITMHI-AWEZNQCLSA-N 2 1 383.330 3.922 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000590155566 855302174 /nfs/dbraw/zinc/30/21/74/855302174.db2.gz NKQBOOGCWURDKE-HXUWFJFHSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000590155566 855302183 /nfs/dbraw/zinc/30/21/83/855302183.db2.gz NKQBOOGCWURDKE-HXUWFJFHSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000590155566 855302194 /nfs/dbraw/zinc/30/21/94/855302194.db2.gz NKQBOOGCWURDKE-HXUWFJFHSA-N 2 1 386.584 3.544 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)CC1 ZINC000590302727 855357227 /nfs/dbraw/zinc/35/72/27/855357227.db2.gz SYJZAKBVURWSJF-FQEVSTJZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001168001336 855431152 /nfs/dbraw/zinc/43/11/52/855431152.db2.gz AQTLMTJDJIWGGS-QRTFOUQQSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001168001336 855431157 /nfs/dbraw/zinc/43/11/57/855431157.db2.gz AQTLMTJDJIWGGS-QRTFOUQQSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001168001336 855431160 /nfs/dbraw/zinc/43/11/60/855431160.db2.gz AQTLMTJDJIWGGS-QRTFOUQQSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001168001336 855431166 /nfs/dbraw/zinc/43/11/66/855431166.db2.gz AQTLMTJDJIWGGS-QRTFOUQQSA-N 2 1 377.573 3.627 20 0 GHADMP CCN(C(=O)NC1CC[NH+](C2CCC2)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459092117 855452388 /nfs/dbraw/zinc/45/23/88/855452388.db2.gz FROOXRVWWXVLNP-AUSIDOKSSA-N 2 1 398.595 3.870 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Cc1ccccc1 ZINC000647987343 855468354 /nfs/dbraw/zinc/46/83/54/855468354.db2.gz UIMRFRYZOVTJCZ-YADHBBJMSA-N 2 1 377.532 3.537 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000542707871 855509335 /nfs/dbraw/zinc/50/93/35/855509335.db2.gz MYNPBOPHRHZSRM-XGARDCMYSA-N 2 1 378.532 3.772 20 0 GHADMP CC(C)C[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000542715856 855545647 /nfs/dbraw/zinc/54/56/47/855545647.db2.gz LAXZPPQPTBEDQO-AZUAARDMSA-N 2 1 382.552 3.644 20 0 GHADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(I)cc1 ZINC000590779698 855581185 /nfs/dbraw/zinc/58/11/85/855581185.db2.gz LHBICOOYDCQQSJ-HMQMGEFJSA-N 2 1 384.305 3.957 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000590787189 855585512 /nfs/dbraw/zinc/58/55/12/855585512.db2.gz UCGCEFAUBYRYPA-OAHLLOKOSA-N 2 1 383.483 3.667 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000590787189 855585518 /nfs/dbraw/zinc/58/55/18/855585518.db2.gz UCGCEFAUBYRYPA-OAHLLOKOSA-N 2 1 383.483 3.667 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000590787203 855585687 /nfs/dbraw/zinc/58/56/87/855585687.db2.gz UTKPYIDBCVGYSF-IBGZPJMESA-N 2 1 385.596 3.795 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[NH+](C)C2CCCC2)cc1 ZINC000520550968 855639830 /nfs/dbraw/zinc/63/98/30/855639830.db2.gz UYMVJBIPRRJEAR-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000520550968 855639834 /nfs/dbraw/zinc/63/98/34/855639834.db2.gz UYMVJBIPRRJEAR-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000520550968 855639837 /nfs/dbraw/zinc/63/98/37/855639837.db2.gz UYMVJBIPRRJEAR-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP COc1ccc([C@@H]2C[C@H]([NH+]3CCC4(CCn5c(C)c[nH+]c54)CC3)CCO2)cc1 ZINC001168643196 855647268 /nfs/dbraw/zinc/64/72/68/855647268.db2.gz CZHUHIJMJSYGDM-CTNGQTDRSA-N 2 1 381.520 3.858 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000591094997 855758886 /nfs/dbraw/zinc/75/88/86/855758886.db2.gz QKFROYSXEZBAFM-AZUAARDMSA-N 2 1 399.535 3.566 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000591094997 855758891 /nfs/dbraw/zinc/75/88/91/855758891.db2.gz QKFROYSXEZBAFM-AZUAARDMSA-N 2 1 399.535 3.566 20 0 GHADMP CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000765868909 855840048 /nfs/dbraw/zinc/84/00/48/855840048.db2.gz UEEMDXRCBWPXBK-XMSQKQJNSA-N 2 1 395.547 3.633 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(Br)c2)[C@@H](C)C1 ZINC000573103957 855867746 /nfs/dbraw/zinc/86/77/46/855867746.db2.gz HTVZYPBYXYBBEQ-DAYGRLMNSA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncc(Br)c2)[C@@H](C)C1 ZINC000573103957 855867747 /nfs/dbraw/zinc/86/77/47/855867747.db2.gz HTVZYPBYXYBBEQ-DAYGRLMNSA-N 2 1 384.362 3.632 20 0 GHADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1OC ZINC000482147696 862743481 /nfs/dbraw/zinc/74/34/81/862743481.db2.gz RJRVOLWVYKEQJS-NVXWUHKLSA-N 2 1 381.948 3.777 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000482149090 862744901 /nfs/dbraw/zinc/74/49/01/862744901.db2.gz IGFNSMUZRRASHS-LNLFQRSKSA-N 2 1 377.598 3.512 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CC[NH2+]CC1 ZINC000417733877 856040165 /nfs/dbraw/zinc/04/01/65/856040165.db2.gz JDUDIMNRSLSGCM-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC[NH2+]CC1 ZINC000417733877 856040175 /nfs/dbraw/zinc/04/01/75/856040175.db2.gz JDUDIMNRSLSGCM-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)nc(C)[nH+]1 ZINC000905153876 856172888 /nfs/dbraw/zinc/17/28/88/856172888.db2.gz HHSWUERFDMQAAT-SFHVURJKSA-N 2 1 395.334 3.692 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000905132144 856180544 /nfs/dbraw/zinc/18/05/44/856180544.db2.gz JYCCJLBBKOCRSL-JBPLPALLSA-N 2 1 388.577 3.595 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)[C@H]1c1cccs1 ZINC000905132144 856180552 /nfs/dbraw/zinc/18/05/52/856180552.db2.gz JYCCJLBBKOCRSL-JBPLPALLSA-N 2 1 388.577 3.595 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN2C(=O)COc3ccccc32)cc1 ZINC000181151297 862773930 /nfs/dbraw/zinc/77/39/30/862773930.db2.gz QJBMRMHLWPGFPG-KRWDZBQOSA-N 2 1 390.487 3.647 20 0 GHADMP [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000669420600 856345051 /nfs/dbraw/zinc/34/50/51/856345051.db2.gz RRCOGHXSVSYVEP-GMAHTHKFSA-N 2 1 394.563 3.678 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000165882717 856349970 /nfs/dbraw/zinc/34/99/70/856349970.db2.gz SVVDVAIMRALAGV-QHCPKHFHSA-N 2 1 379.548 3.637 20 0 GHADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168573608 856368433 /nfs/dbraw/zinc/36/84/33/856368433.db2.gz RJWNHOWKDAHIPA-GJZGRUSLSA-N 2 1 381.483 3.590 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000182520098 856419214 /nfs/dbraw/zinc/41/92/14/856419214.db2.gz HFIZWDIUHFDNRB-PKTZIBPZSA-N 2 1 398.595 3.688 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H]1c1cccs1 ZINC000573695543 856442528 /nfs/dbraw/zinc/44/25/28/856442528.db2.gz PYFJLLKORYKMAR-OXQOHEQNSA-N 2 1 384.549 3.598 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000043136963 856490846 /nfs/dbraw/zinc/49/08/46/856490846.db2.gz IRIFCGARUXGRND-UXHICEINSA-N 2 1 390.572 3.618 20 0 GHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000485442797 856501300 /nfs/dbraw/zinc/50/13/00/856501300.db2.gz VLIZBAGYQURJJS-MRXNPFEDSA-N 2 1 383.458 3.842 20 0 GHADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508905497 856585635 /nfs/dbraw/zinc/58/56/35/856585635.db2.gz LKNNCSAHNSVBKU-NFBKMPQASA-N 2 1 394.563 3.595 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000181280677 862820629 /nfs/dbraw/zinc/82/06/29/862820629.db2.gz UIZKNNQSEPSDJP-LJQANCHMSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1sccc1Br ZINC000658136701 856774946 /nfs/dbraw/zinc/77/49/46/856774946.db2.gz DUVLWSPQOWQMED-CZUORRHYSA-N 2 1 395.366 3.928 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)[C@@H](C)C1 ZINC000766068968 856798085 /nfs/dbraw/zinc/79/80/85/856798085.db2.gz QILBAHCSZBGCHS-JVPBZIDWSA-N 2 1 389.367 3.753 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)c1 ZINC000482246419 862837229 /nfs/dbraw/zinc/83/72/29/862837229.db2.gz QHNYNGKUMKMREW-SBUREZEXSA-N 2 1 386.511 3.806 20 0 GHADMP CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)CC1CCN(c2ccccn2)CC1 ZINC000785457875 856828462 /nfs/dbraw/zinc/82/84/62/856828462.db2.gz JJYGWCUHUROBHS-KRWDZBQOSA-N 2 1 376.545 3.533 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000427908231 856864465 /nfs/dbraw/zinc/86/44/65/856864465.db2.gz WXOAQMRMAUSHDH-AKFKNWHVSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427908231 856864472 /nfs/dbraw/zinc/86/44/72/856864472.db2.gz WXOAQMRMAUSHDH-AKFKNWHVSA-N 2 1 395.591 3.764 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000427908231 856864484 /nfs/dbraw/zinc/86/44/84/856864484.db2.gz WXOAQMRMAUSHDH-AKFKNWHVSA-N 2 1 395.591 3.764 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000672230741 856899941 /nfs/dbraw/zinc/89/99/41/856899941.db2.gz CSTSOHJSEDBUFV-DEOSSOPVSA-N 2 1 395.547 3.860 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428064680 857075609 /nfs/dbraw/zinc/07/56/09/857075609.db2.gz ABFGFCXZVNYWGX-NRFANRHFSA-N 2 1 379.548 3.780 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 ZINC000485858925 857160582 /nfs/dbraw/zinc/16/05/82/857160582.db2.gz YVPNGZRACDOFQG-YTFSRNRJSA-N 2 1 383.580 3.634 20 0 GHADMP C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665257742 857170512 /nfs/dbraw/zinc/17/05/12/857170512.db2.gz SSURQQSDRCOFLV-DYJHZFTCSA-N 2 1 381.539 3.771 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000429246156 857186329 /nfs/dbraw/zinc/18/63/29/857186329.db2.gz FOYCHHYMUJQLQV-REWPJTCUSA-N 2 1 395.478 3.762 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000428224282 857204698 /nfs/dbraw/zinc/20/46/98/857204698.db2.gz CJDNVAAZMSBPAL-CXSMSNRLSA-N 3 1 399.623 3.504 20 0 GHADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000428224282 857204705 /nfs/dbraw/zinc/20/47/05/857204705.db2.gz CJDNVAAZMSBPAL-CXSMSNRLSA-N 3 1 399.623 3.504 20 0 GHADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428224282 857204712 /nfs/dbraw/zinc/20/47/12/857204712.db2.gz CJDNVAAZMSBPAL-CXSMSNRLSA-N 3 1 399.623 3.504 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000766140949 857408068 /nfs/dbraw/zinc/40/80/68/857408068.db2.gz ZMJSSRVHTYTGIW-QMMLZNLJSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000766140949 857408073 /nfs/dbraw/zinc/40/80/73/857408073.db2.gz ZMJSSRVHTYTGIW-QMMLZNLJSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H](Cc1cccs1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000675811373 857621625 /nfs/dbraw/zinc/62/16/25/857621625.db2.gz QJXSFXFIUMXAGM-SFHVURJKSA-N 2 1 388.577 3.959 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277332 857653995 /nfs/dbraw/zinc/65/39/95/857653995.db2.gz ZFFXKKGGWNMSJA-GHTZIAJQSA-N 3 1 378.564 3.802 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277332 857653998 /nfs/dbraw/zinc/65/39/98/857653998.db2.gz ZFFXKKGGWNMSJA-GHTZIAJQSA-N 2 1 378.564 3.802 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277332 857654004 /nfs/dbraw/zinc/65/40/04/857654004.db2.gz ZFFXKKGGWNMSJA-GHTZIAJQSA-N 2 1 378.564 3.802 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OCC ZINC000675881490 857659508 /nfs/dbraw/zinc/65/95/08/857659508.db2.gz MEQSXSZIDMYZDO-FXAWDEMLSA-N 2 1 376.541 3.778 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281327080 862958051 /nfs/dbraw/zinc/95/80/51/862958051.db2.gz SYDMDVUOEUHSGV-HSZRJFAPSA-N 2 1 382.527 3.599 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482352496 862966014 /nfs/dbraw/zinc/96/60/14/862966014.db2.gz SZNPABSIMXAGAD-MRXNPFEDSA-N 2 1 387.490 3.552 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168371510 857982933 /nfs/dbraw/zinc/98/29/33/857982933.db2.gz GPSZWDLGVGGUAR-JOCHJYFZSA-N 2 1 377.573 3.584 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000067507213 858035953 /nfs/dbraw/zinc/03/59/53/858035953.db2.gz GLMRIFURHLMANT-LJQANCHMSA-N 2 1 375.520 3.754 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000067684742 858057934 /nfs/dbraw/zinc/05/79/34/858057934.db2.gz DDJFDAOCLUYSLS-PMACEKPBSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000067684742 858057942 /nfs/dbraw/zinc/05/79/42/858057942.db2.gz DDJFDAOCLUYSLS-PMACEKPBSA-N 2 1 386.584 3.591 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000067684742 858057950 /nfs/dbraw/zinc/05/79/50/858057950.db2.gz DDJFDAOCLUYSLS-PMACEKPBSA-N 2 1 386.584 3.591 20 0 GHADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000521531278 858077486 /nfs/dbraw/zinc/07/74/86/858077486.db2.gz WEPGLKRVPKVTMF-IBGZPJMESA-N 2 1 399.510 3.747 20 0 GHADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000681392635 858184098 /nfs/dbraw/zinc/18/40/98/858184098.db2.gz OKZVXYJJXVEJTD-VCOUNFBDSA-N 2 1 377.536 3.927 20 0 GHADMP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000681392635 858184102 /nfs/dbraw/zinc/18/41/02/858184102.db2.gz OKZVXYJJXVEJTD-VCOUNFBDSA-N 2 1 377.536 3.927 20 0 GHADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594606636 858240575 /nfs/dbraw/zinc/24/05/75/858240575.db2.gz MRAJOXGNLCCDMA-NHCUHLMSSA-N 2 1 380.573 3.512 20 0 GHADMP C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000673132187 858263692 /nfs/dbraw/zinc/26/36/92/858263692.db2.gz VLYKOQRRSVZTLF-AJSBUHFISA-N 2 1 394.563 3.594 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000521855592 858379972 /nfs/dbraw/zinc/37/99/72/858379972.db2.gz QYPGRWIZTDEQRZ-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP Clc1ccccc1CN1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000765974501 858592628 /nfs/dbraw/zinc/59/26/28/858592628.db2.gz HWIHXIRTQJBGAX-OAQYLSRUSA-N 2 1 391.987 3.537 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000115828616 858680662 /nfs/dbraw/zinc/68/06/62/858680662.db2.gz YPSGXVKYDYCSIV-PMACEKPBSA-N 2 1 386.584 3.633 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000417872744 858717518 /nfs/dbraw/zinc/71/75/18/858717518.db2.gz ICSLRQHVTVNJST-HSZRJFAPSA-N 2 1 386.584 3.594 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000648008539 858862774 /nfs/dbraw/zinc/86/27/74/858862774.db2.gz NCNXRCJKEWLFRK-HXUWFJFHSA-N 2 1 378.520 3.942 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000648008539 858862790 /nfs/dbraw/zinc/86/27/90/858862790.db2.gz NCNXRCJKEWLFRK-HXUWFJFHSA-N 2 1 378.520 3.942 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000648008539 858862797 /nfs/dbraw/zinc/86/27/97/858862797.db2.gz NCNXRCJKEWLFRK-HXUWFJFHSA-N 2 1 378.520 3.942 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000648008539 858862806 /nfs/dbraw/zinc/86/28/06/858862806.db2.gz NCNXRCJKEWLFRK-HXUWFJFHSA-N 2 1 378.520 3.942 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000522256250 858904285 /nfs/dbraw/zinc/90/42/85/858904285.db2.gz WXADKDLMXVOVOB-UHFFFAOYSA-N 2 1 393.318 3.712 20 0 GHADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791603 858907302 /nfs/dbraw/zinc/90/73/02/858907302.db2.gz QWUUEWQBWROWPA-JBPLPALLSA-N 2 1 397.588 3.593 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791603 858907307 /nfs/dbraw/zinc/90/73/07/858907307.db2.gz QWUUEWQBWROWPA-JBPLPALLSA-N 2 1 397.588 3.593 20 0 GHADMP C[NH+]1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](c2ccccc2)C1 ZINC000625791603 858907314 /nfs/dbraw/zinc/90/73/14/858907314.db2.gz QWUUEWQBWROWPA-JBPLPALLSA-N 2 1 397.588 3.593 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(SCC(F)F)cc1 ZINC000482885994 858940180 /nfs/dbraw/zinc/94/01/80/858940180.db2.gz HTJALKOSMDUQNE-HNNXBMFYSA-N 2 1 399.551 3.637 20 0 GHADMP COc1ccc([C@H](CCC(C)C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482882297 858948043 /nfs/dbraw/zinc/94/80/43/858948043.db2.gz ADFATTLJIQZIIB-QFIPXVFZSA-N 2 1 389.584 3.705 20 0 GHADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482882296 858948455 /nfs/dbraw/zinc/94/84/55/858948455.db2.gz ADFATTLJIQZIIB-JOCHJYFZSA-N 2 1 389.584 3.705 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCC1 ZINC000184988749 859029207 /nfs/dbraw/zinc/02/92/07/859029207.db2.gz WWDRCVHHHYCWDV-OALUTQOASA-N 2 1 392.613 3.524 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443607105 859045688 /nfs/dbraw/zinc/04/56/88/859045688.db2.gz SQWDLPUXXJPAAA-UHFFFAOYSA-N 2 1 393.959 3.875 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185663928 859114233 /nfs/dbraw/zinc/11/42/33/859114233.db2.gz VQEBDZHOTCLOQK-MJGOQNOKSA-N 2 1 389.609 3.610 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185663928 859114239 /nfs/dbraw/zinc/11/42/39/859114239.db2.gz VQEBDZHOTCLOQK-MJGOQNOKSA-N 2 1 389.609 3.610 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679891 859115849 /nfs/dbraw/zinc/11/58/49/859115849.db2.gz WQRJYELAKBPURS-SOLBZPMBSA-N 2 1 377.960 3.587 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679891 859115854 /nfs/dbraw/zinc/11/58/54/859115854.db2.gz WQRJYELAKBPURS-SOLBZPMBSA-N 2 1 377.960 3.587 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185707595 859119336 /nfs/dbraw/zinc/11/93/36/859119336.db2.gz IIGDOBZWWHZCPT-GJZGRUSLSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185707595 859119341 /nfs/dbraw/zinc/11/93/41/859119341.db2.gz IIGDOBZWWHZCPT-GJZGRUSLSA-N 2 1 383.458 3.887 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734025 859122790 /nfs/dbraw/zinc/12/27/90/859122790.db2.gz HKTDAZUJJIGWAB-IXDOHACOSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734025 859122796 /nfs/dbraw/zinc/12/27/96/859122796.db2.gz HKTDAZUJJIGWAB-IXDOHACOSA-N 2 1 375.582 3.978 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000499709218 859151033 /nfs/dbraw/zinc/15/10/33/859151033.db2.gz VZKMRMSAIGSYLH-UHFFFAOYSA-N 2 1 399.554 3.768 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000191489757 859181959 /nfs/dbraw/zinc/18/19/59/859181959.db2.gz ACXIAEWOWRPCMK-QFIPXVFZSA-N 2 1 382.552 3.911 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000191489757 859181964 /nfs/dbraw/zinc/18/19/64/859181964.db2.gz ACXIAEWOWRPCMK-QFIPXVFZSA-N 2 1 382.552 3.911 20 0 GHADMP CCc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000189016077 881394797 /nfs/dbraw/zinc/39/47/97/881394797.db2.gz OHBJTCVSCQVVKS-DHIUTWEWSA-N 2 1 385.596 3.587 20 0 GHADMP COC(=O)c1oc(CNCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1C ZINC000597058273 859255329 /nfs/dbraw/zinc/25/53/29/859255329.db2.gz WBMFBSXSMUMDCZ-UHFFFAOYSA-N 2 1 382.460 3.889 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000522384622 859306541 /nfs/dbraw/zinc/30/65/41/859306541.db2.gz IOOUDZFGKLVSBZ-UHFFFAOYSA-N 2 1 377.479 3.732 20 0 GHADMP COC[C@H]([NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1)[C@@H](O)c1ccccc1 ZINC001168026889 859366763 /nfs/dbraw/zinc/36/67/63/859366763.db2.gz LXCILZZKPCPPDE-WJNSRDFLSA-N 2 1 382.548 3.766 20 0 GHADMP COC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC000597222959 859373658 /nfs/dbraw/zinc/37/36/58/859373658.db2.gz QNXVWNKZNOFLCO-SEJPIABJSA-N 2 1 382.479 3.898 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000765980051 859385272 /nfs/dbraw/zinc/38/52/72/859385272.db2.gz YZDDDUYFLPPWDA-BEFAXECRSA-N 2 1 397.332 3.809 20 0 GHADMP COc1ccsc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856558314 881424634 /nfs/dbraw/zinc/42/46/34/881424634.db2.gz FQUSBCCDMZXAAW-SFHVURJKSA-N 2 1 375.538 3.645 20 0 GHADMP COc1ccsc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856558314 881424642 /nfs/dbraw/zinc/42/46/42/881424642.db2.gz FQUSBCCDMZXAAW-SFHVURJKSA-N 2 1 375.538 3.645 20 0 GHADMP COc1ccsc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856558314 881424648 /nfs/dbraw/zinc/42/46/48/881424648.db2.gz FQUSBCCDMZXAAW-SFHVURJKSA-N 2 1 375.538 3.645 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000626062246 859436998 /nfs/dbraw/zinc/43/69/98/859436998.db2.gz MKFWIBOXMWQZIS-QGZVFWFLSA-N 2 1 399.535 3.615 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc21 ZINC001168368110 859487113 /nfs/dbraw/zinc/48/71/13/859487113.db2.gz AHQPVNIXOSMICG-UHFFFAOYSA-N 2 1 385.552 3.948 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3CCSC)CC2)CC1 ZINC000601721347 859499885 /nfs/dbraw/zinc/49/98/85/859499885.db2.gz ISTAATXQEHXADS-UHFFFAOYSA-N 2 1 389.609 3.727 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001127781230 859516714 /nfs/dbraw/zinc/51/67/14/859516714.db2.gz NGYVJLCLKSWGCW-HSZRJFAPSA-N 2 1 393.575 3.925 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001127781230 859516717 /nfs/dbraw/zinc/51/67/17/859516717.db2.gz NGYVJLCLKSWGCW-HSZRJFAPSA-N 2 1 393.575 3.925 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001127781230 859516722 /nfs/dbraw/zinc/51/67/22/859516722.db2.gz NGYVJLCLKSWGCW-HSZRJFAPSA-N 2 1 393.575 3.925 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000117605415 859530944 /nfs/dbraw/zinc/53/09/44/859530944.db2.gz SLGIENMNJOCWCW-QHCPKHFHSA-N 2 1 395.547 3.536 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000117605415 859530948 /nfs/dbraw/zinc/53/09/48/859530948.db2.gz SLGIENMNJOCWCW-QHCPKHFHSA-N 2 1 395.547 3.536 20 0 GHADMP CCCN(CC(=O)Nc1ccccc1C)Cc1cn(-c2ccncc2)nc1C ZINC000543393539 859546773 /nfs/dbraw/zinc/54/67/73/859546773.db2.gz INRBUDUUSJEJFI-UHFFFAOYSA-N 2 1 377.492 3.735 20 0 GHADMP [NH3+][C@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417577030 859602911 /nfs/dbraw/zinc/60/29/11/859602911.db2.gz VVTMPKUGKYNMMC-HOCLYGCPSA-N 2 1 399.366 3.527 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560737 881441168 /nfs/dbraw/zinc/44/11/68/881441168.db2.gz QBAGWVSWMMPMGA-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560737 881441176 /nfs/dbraw/zinc/44/11/76/881441176.db2.gz QBAGWVSWMMPMGA-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(C)n1 ZINC000856560737 881441186 /nfs/dbraw/zinc/44/11/86/881441186.db2.gz QBAGWVSWMMPMGA-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764969703 859714219 /nfs/dbraw/zinc/71/42/19/859714219.db2.gz AXBXZEUWAPXNDW-JTOYRKQZSA-N 2 1 387.612 3.624 20 0 GHADMP O[C@H](CN1CCCC1)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000729543840 859722898 /nfs/dbraw/zinc/72/28/98/859722898.db2.gz RZWBAKBTDQFALX-GOSISDBHSA-N 2 1 386.458 3.787 20 0 GHADMP O[C@H](CN1CCCC1)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000729543840 859722901 /nfs/dbraw/zinc/72/29/01/859722901.db2.gz RZWBAKBTDQFALX-GOSISDBHSA-N 2 1 386.458 3.787 20 0 GHADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)CCO1 ZINC000856561774 881468510 /nfs/dbraw/zinc/46/85/10/881468510.db2.gz YVQLWBBOLADGOX-CZTZKLFOSA-N 2 1 375.557 3.580 20 0 GHADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)CCO1 ZINC000856561774 881468514 /nfs/dbraw/zinc/46/85/14/881468514.db2.gz YVQLWBBOLADGOX-CZTZKLFOSA-N 2 1 375.557 3.580 20 0 GHADMP CC[C@@H]1C[C@@H](C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)CCO1 ZINC000856561774 881468518 /nfs/dbraw/zinc/46/85/18/881468518.db2.gz YVQLWBBOLADGOX-CZTZKLFOSA-N 2 1 375.557 3.580 20 0 GHADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cnc2ccsc2c1 ZINC000484153346 859848543 /nfs/dbraw/zinc/84/85/43/859848543.db2.gz AHEJCXNLAZLMPL-DBVUQKKJSA-N 2 1 381.545 3.830 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)o1 ZINC000673544172 859869827 /nfs/dbraw/zinc/86/98/27/859869827.db2.gz PZGAWTJSRCPYLY-NQIIRXRSSA-N 2 1 398.551 3.545 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)s2)cc1 ZINC000922389442 859874587 /nfs/dbraw/zinc/87/45/87/859874587.db2.gz VPVWOJLGENNEIN-VMBXEPDQSA-N 2 1 385.577 3.688 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(CC(F)(F)F)c2)C[N@H+]1Cc1ccccc1 ZINC000513543857 859877569 /nfs/dbraw/zinc/87/75/69/859877569.db2.gz AHENVPOPPKXZIO-WMZOPIPTSA-N 2 1 380.458 3.836 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccco1 ZINC000522430515 859882303 /nfs/dbraw/zinc/88/23/03/859882303.db2.gz BLARNECDUMXKEV-SESVDKBCSA-N 2 1 398.551 3.797 20 0 GHADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)C2)[C@H]1C(C)C ZINC000922391524 859891029 /nfs/dbraw/zinc/89/10/29/859891029.db2.gz FFMXSFXLODOYRB-MLYOOKFZSA-N 2 1 391.606 3.831 20 0 GHADMP COc1cc(F)c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000484289238 859926494 /nfs/dbraw/zinc/92/64/94/859926494.db2.gz BUIMVKANHSYYRV-CQSZACIVSA-N 2 1 388.487 3.569 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001127859555 859967022 /nfs/dbraw/zinc/96/70/22/859967022.db2.gz KDWSTKPICDAVPX-HYBUGGRVSA-N 2 1 391.559 3.923 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428864844 860056244 /nfs/dbraw/zinc/05/62/44/860056244.db2.gz DOZHDCSZWAJTLL-SFHVURJKSA-N 2 1 385.508 3.682 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000428864844 860056247 /nfs/dbraw/zinc/05/62/47/860056247.db2.gz DOZHDCSZWAJTLL-SFHVURJKSA-N 2 1 385.508 3.682 20 0 GHADMP CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000542652328 860087521 /nfs/dbraw/zinc/08/75/21/860087521.db2.gz HFYCPYIDNHKFTK-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000542652328 860087534 /nfs/dbraw/zinc/08/75/34/860087534.db2.gz HFYCPYIDNHKFTK-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[C@H]1CC(N[C@@H]2CC[N@@H+](CC3CCOCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168035126 860118893 /nfs/dbraw/zinc/11/88/93/860118893.db2.gz RNFIIVMDXHQRGX-SXWKCWPCSA-N 2 1 385.596 3.519 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)cc1 ZINC000602573051 860122827 /nfs/dbraw/zinc/12/28/27/860122827.db2.gz XJFWOIMVCZRNGP-OAHLLOKOSA-N 2 1 395.507 3.720 20 0 GHADMP CC(C)[C@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000474482460 860196485 /nfs/dbraw/zinc/19/64/85/860196485.db2.gz KZKYRPUKJGHIPQ-QHCPKHFHSA-N 2 1 379.548 3.604 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccnn1-c1ccccc1 ZINC000281580556 860221209 /nfs/dbraw/zinc/22/12/09/860221209.db2.gz LBRUMEXSQIAVGN-AUSIDOKSSA-N 2 1 390.531 3.680 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000533820151 860238384 /nfs/dbraw/zinc/23/83/84/860238384.db2.gz TYBXGKCAPWAIJP-QFIPXVFZSA-N 2 1 380.536 3.513 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000533820151 860238392 /nfs/dbraw/zinc/23/83/92/860238392.db2.gz TYBXGKCAPWAIJP-QFIPXVFZSA-N 2 1 380.536 3.513 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000533820151 860238401 /nfs/dbraw/zinc/23/84/01/860238401.db2.gz TYBXGKCAPWAIJP-QFIPXVFZSA-N 2 1 380.536 3.513 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533820151 860238408 /nfs/dbraw/zinc/23/84/08/860238408.db2.gz TYBXGKCAPWAIJP-QFIPXVFZSA-N 2 1 380.536 3.513 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000536044102 860267984 /nfs/dbraw/zinc/26/79/84/860267984.db2.gz VENFWEGDGFEGQW-GOTSBHOMSA-N 2 1 392.547 3.618 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)[NH+]2CCCC2)cc1 ZINC000536044102 860267989 /nfs/dbraw/zinc/26/79/89/860267989.db2.gz VENFWEGDGFEGQW-GOTSBHOMSA-N 2 1 392.547 3.618 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000453111649 860395438 /nfs/dbraw/zinc/39/54/38/860395438.db2.gz PGEBXHIRAXAOGW-NRFANRHFSA-N 2 1 377.960 3.714 20 0 GHADMP CCCn1c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccccc21 ZINC000904477024 860468777 /nfs/dbraw/zinc/46/87/77/860468777.db2.gz WNKZBTSXTBVKKF-XXBNENTESA-N 2 1 376.504 3.792 20 0 GHADMP Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC2)oc1C ZINC000904575554 860519904 /nfs/dbraw/zinc/51/99/04/860519904.db2.gz CMRLARKVLIVPOB-UHFFFAOYSA-N 2 1 399.539 3.519 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011437 860531161 /nfs/dbraw/zinc/53/11/61/860531161.db2.gz AWQJZWDBFNAQGK-PXNSSMCTSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011437 860531170 /nfs/dbraw/zinc/53/11/70/860531170.db2.gz AWQJZWDBFNAQGK-PXNSSMCTSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011437 860531175 /nfs/dbraw/zinc/53/11/75/860531175.db2.gz AWQJZWDBFNAQGK-PXNSSMCTSA-N 2 1 394.991 3.706 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000765749389 860566354 /nfs/dbraw/zinc/56/63/54/860566354.db2.gz MKGJEUXRMPKBFW-QUCCMNQESA-N 2 1 375.557 3.744 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000765749389 860566364 /nfs/dbraw/zinc/56/63/64/860566364.db2.gz MKGJEUXRMPKBFW-QUCCMNQESA-N 2 1 375.557 3.744 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000856584403 881555096 /nfs/dbraw/zinc/55/50/96/881555096.db2.gz JKYQREOHGJPIAE-LJQANCHMSA-N 2 1 394.441 3.600 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000856584403 881555105 /nfs/dbraw/zinc/55/51/05/881555105.db2.gz JKYQREOHGJPIAE-LJQANCHMSA-N 2 1 394.441 3.600 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000856584403 881555108 /nfs/dbraw/zinc/55/51/08/881555108.db2.gz JKYQREOHGJPIAE-LJQANCHMSA-N 2 1 394.441 3.600 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)Cc1cn2c(n1)CCCC2 ZINC000428981663 860593080 /nfs/dbraw/zinc/59/30/80/860593080.db2.gz ZJRFUILIRAWPGN-OAQYLSRUSA-N 2 1 397.567 3.517 20 0 GHADMP CC(C)[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000474721715 860677901 /nfs/dbraw/zinc/67/79/01/860677901.db2.gz VBIMFSJBKRRCEV-BJKOFHAPSA-N 2 1 393.575 3.913 20 0 GHADMP Clc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-n2cncn2)c1 ZINC000474734401 860692195 /nfs/dbraw/zinc/69/21/95/860692195.db2.gz SOPSUUSXXHQBKQ-IBGZPJMESA-N 2 1 395.938 3.575 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCCC[NH+]3C(C)C)C2)ccn1 ZINC000856604865 881581642 /nfs/dbraw/zinc/58/16/42/881581642.db2.gz SRRRTHWXTYDXCP-FYYLOGMGSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)C2)ccn1 ZINC000856604865 881581672 /nfs/dbraw/zinc/58/16/72/881581672.db2.gz SRRRTHWXTYDXCP-FYYLOGMGSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)C2)ccn1 ZINC000856604865 881581689 /nfs/dbraw/zinc/58/16/89/881581689.db2.gz SRRRTHWXTYDXCP-FYYLOGMGSA-N 2 1 388.600 3.638 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000623342772 860890780 /nfs/dbraw/zinc/89/07/80/860890780.db2.gz NKDJICCFNTYCSX-RBUKOAKNSA-N 2 1 392.613 3.552 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623395686 860994624 /nfs/dbraw/zinc/99/46/24/860994624.db2.gz VAQRLFJBJFZYHT-OAHLLOKOSA-N 2 1 382.346 3.549 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000481321415 861038052 /nfs/dbraw/zinc/03/80/52/861038052.db2.gz OTZMXNNJMITKFD-BWKNWUBXSA-N 2 1 393.575 3.519 20 0 GHADMP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC000623543215 861187936 /nfs/dbraw/zinc/18/79/36/861187936.db2.gz FJVSUUMIGRVVAO-NHCUHLMSSA-N 2 1 397.588 3.564 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000605511597 863094731 /nfs/dbraw/zinc/09/47/31/863094731.db2.gz DLKHHPFNUKJTCG-IBGZPJMESA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000605511597 863094746 /nfs/dbraw/zinc/09/47/46/863094746.db2.gz DLKHHPFNUKJTCG-IBGZPJMESA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000605511597 863094762 /nfs/dbraw/zinc/09/47/62/863094762.db2.gz DLKHHPFNUKJTCG-IBGZPJMESA-N 2 1 379.548 3.590 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000605511597 863094777 /nfs/dbraw/zinc/09/47/77/863094777.db2.gz DLKHHPFNUKJTCG-IBGZPJMESA-N 2 1 379.548 3.590 20 0 GHADMP c1ccc(OCc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2)cc1 ZINC000655696709 863133818 /nfs/dbraw/zinc/13/38/18/863133818.db2.gz JONFVTPIGAYGJY-XMMPIXPASA-N 2 1 380.532 3.999 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000532270284 881643918 /nfs/dbraw/zinc/64/39/18/881643918.db2.gz XYAOYGADTSCMKY-GOTSBHOMSA-N 2 1 380.532 3.830 20 0 GHADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482560211 863313041 /nfs/dbraw/zinc/31/30/41/863313041.db2.gz XJDSPWICEIWBEW-MJGOQNOKSA-N 2 1 399.501 3.970 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074299767 881652498 /nfs/dbraw/zinc/65/24/98/881652498.db2.gz MIWGFDFUUCSUFX-UGKGYDQZSA-N 2 1 386.584 3.728 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)o1 ZINC000183137270 863481602 /nfs/dbraw/zinc/48/16/02/863481602.db2.gz OOCPRFIGTYWVLN-KRWDZBQOSA-N 2 1 392.503 3.924 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2C)cc1 ZINC000183154628 863490399 /nfs/dbraw/zinc/49/03/99/863490399.db2.gz RYRIZMICPQLZFH-GOSISDBHSA-N 2 1 376.504 3.798 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000606660083 863752138 /nfs/dbraw/zinc/75/21/38/863752138.db2.gz ONOZXGMXXSEXCD-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606660083 863752146 /nfs/dbraw/zinc/75/21/46/863752146.db2.gz ONOZXGMXXSEXCD-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606660083 863752152 /nfs/dbraw/zinc/75/21/52/863752152.db2.gz ONOZXGMXXSEXCD-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000606661432 863752468 /nfs/dbraw/zinc/75/24/68/863752468.db2.gz ROGLQTSFKDHPSV-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCN(C(=O)C3CCC3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053026 863803049 /nfs/dbraw/zinc/80/30/49/863803049.db2.gz LYTLYGCCEPGPOL-JHDGKUDLSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCN(C(=O)C3CCC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168053026 863803055 /nfs/dbraw/zinc/80/30/55/863803055.db2.gz LYTLYGCCEPGPOL-JHDGKUDLSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCN(C(=O)C3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053026 863803062 /nfs/dbraw/zinc/80/30/62/863803062.db2.gz LYTLYGCCEPGPOL-JHDGKUDLSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCCN(C(=O)C3CCC3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053026 863803072 /nfs/dbraw/zinc/80/30/72/863803072.db2.gz LYTLYGCCEPGPOL-JHDGKUDLSA-N 2 1 383.580 3.762 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000532300438 881705150 /nfs/dbraw/zinc/70/51/50/881705150.db2.gz ICPXTVWKMBCEPO-IBGZPJMESA-N 2 1 380.532 3.953 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000103305958 863950604 /nfs/dbraw/zinc/95/06/04/863950604.db2.gz HHHAXROAVRKINC-FCHUYYIVSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000103305973 863950628 /nfs/dbraw/zinc/95/06/28/863950628.db2.gz GGAQGOHGZVOPLE-FGZHOGPDSA-N 2 1 392.632 3.796 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](Oc3cnccn3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054696 863982243 /nfs/dbraw/zinc/98/22/43/863982243.db2.gz ALXWXYLJRSDQMJ-NPDDRXJXSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](Oc3cnccn3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054696 863982256 /nfs/dbraw/zinc/98/22/56/863982256.db2.gz ALXWXYLJRSDQMJ-NPDDRXJXSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](Oc3cnccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054696 863982267 /nfs/dbraw/zinc/98/22/67/863982267.db2.gz ALXWXYLJRSDQMJ-NPDDRXJXSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](Oc3cnccn3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054696 863982279 /nfs/dbraw/zinc/98/22/79/863982279.db2.gz ALXWXYLJRSDQMJ-NPDDRXJXSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056230 864137049 /nfs/dbraw/zinc/13/70/49/864137049.db2.gz DREMYEYNNFTXFA-IRMYBRCSSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056230 864137053 /nfs/dbraw/zinc/13/70/53/864137053.db2.gz DREMYEYNNFTXFA-IRMYBRCSSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056230 864137055 /nfs/dbraw/zinc/13/70/55/864137055.db2.gz DREMYEYNNFTXFA-IRMYBRCSSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056230 864137059 /nfs/dbraw/zinc/13/70/59/864137059.db2.gz DREMYEYNNFTXFA-IRMYBRCSSA-N 2 1 398.595 3.698 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000607284225 864241501 /nfs/dbraw/zinc/24/15/01/864241501.db2.gz PGCAYEBEOFHCQC-FCHUYYIVSA-N 2 1 383.511 3.599 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475133769 864269241 /nfs/dbraw/zinc/26/92/41/864269241.db2.gz AWMDOFFNBXOGLA-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475133769 864269254 /nfs/dbraw/zinc/26/92/54/864269254.db2.gz AWMDOFFNBXOGLA-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475133769 864269266 /nfs/dbraw/zinc/26/92/66/864269266.db2.gz AWMDOFFNBXOGLA-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621660512 864337108 /nfs/dbraw/zinc/33/71/08/864337108.db2.gz MHCZCWDNNSHGDM-PAXLWEDBSA-N 2 1 395.950 3.899 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621660512 864337132 /nfs/dbraw/zinc/33/71/32/864337132.db2.gz MHCZCWDNNSHGDM-PAXLWEDBSA-N 2 1 395.950 3.899 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621659156 864337225 /nfs/dbraw/zinc/33/72/25/864337225.db2.gz ASYXMBJUWFRREQ-HEFCMCLBSA-N 2 1 381.923 3.510 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000621659156 864337240 /nfs/dbraw/zinc/33/72/40/864337240.db2.gz ASYXMBJUWFRREQ-HEFCMCLBSA-N 2 1 381.923 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058175 864452668 /nfs/dbraw/zinc/45/26/68/864452668.db2.gz OXBAKMIAXSAEGF-RMFSNUHRSA-N 2 1 398.526 3.901 20 0 GHADMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000166014007 864708229 /nfs/dbraw/zinc/70/82/29/864708229.db2.gz UUCRUWAQFMMPPH-YKSBVNFPSA-N 2 1 380.532 3.776 20 0 GHADMP Cc1ncsc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000667683144 864771458 /nfs/dbraw/zinc/77/14/58/864771458.db2.gz GLRMYDVCZRZXJP-LAUBAEHRSA-N 2 1 384.593 3.576 20 0 GHADMP CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655711065 864884857 /nfs/dbraw/zinc/88/48/57/864884857.db2.gz HCMWSVFSXDFCHR-GHTZIAJQSA-N 2 1 378.532 3.852 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000480600521 864913960 /nfs/dbraw/zinc/91/39/60/864913960.db2.gz ITETZVBERQZFLS-IBGZPJMESA-N 2 1 391.559 3.804 20 0 GHADMP c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667706277 864941583 /nfs/dbraw/zinc/94/15/83/864941583.db2.gz WAWOBOQNPOPSMQ-XUZZJYLKSA-N 2 1 387.531 3.754 20 0 GHADMP Cc1ccc(C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C(C)C)cc1 ZINC000480617846 864956262 /nfs/dbraw/zinc/95/62/62/864956262.db2.gz WAZZCOCRVLYMBI-DEOSSOPVSA-N 2 1 393.575 3.740 20 0 GHADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](CN(C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841883 864998712 /nfs/dbraw/zinc/99/87/12/864998712.db2.gz OIPKGYVJGLIZRM-IBGZPJMESA-N 2 1 376.504 3.598 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000622460793 865010638 /nfs/dbraw/zinc/01/06/38/865010638.db2.gz YMDXJRVKPKOQSV-QETWGEEDSA-N 2 1 375.601 3.943 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000667723893 865061138 /nfs/dbraw/zinc/06/11/38/865061138.db2.gz MKUQAGMWPWEBQL-UNMCSNQZSA-N 2 1 378.520 3.664 20 0 GHADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169138940 865063522 /nfs/dbraw/zinc/06/35/22/865063522.db2.gz JAQOGUZUFLRKQR-VQIMIIECSA-N 2 1 385.474 3.593 20 0 GHADMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(Cl)c1 ZINC000184963379 865090171 /nfs/dbraw/zinc/09/01/71/865090171.db2.gz GWNPUVKHMSKPDV-QFIPXVFZSA-N 2 1 390.930 3.983 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480691011 865093640 /nfs/dbraw/zinc/09/36/40/865093640.db2.gz DLFIYPDJDHHNIB-YTQUADARSA-N 2 1 376.566 3.680 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000480691011 865093650 /nfs/dbraw/zinc/09/36/50/865093650.db2.gz DLFIYPDJDHHNIB-YTQUADARSA-N 2 1 376.566 3.680 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000480692961 865098532 /nfs/dbraw/zinc/09/85/32/865098532.db2.gz BEGJYDIETSLCSH-LEWJYISDSA-N 2 1 375.601 3.612 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nc2)CC1 ZINC000542485200 881837990 /nfs/dbraw/zinc/83/79/90/881837990.db2.gz KBPWJRNLGBBIPQ-OAQYLSRUSA-N 2 1 393.579 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726182 865179438 /nfs/dbraw/zinc/17/94/38/865179438.db2.gz HJRXGZYUHIHKLE-XLIONFOSSA-N 2 1 377.598 3.902 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCC1 ZINC000480800814 865307075 /nfs/dbraw/zinc/30/70/75/865307075.db2.gz CLGYPKAUKMGGPV-UGKGYDQZSA-N 2 1 399.579 3.603 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@@H](c3cccc(F)c3)CC2=O)CC1 ZINC000738066796 865477302 /nfs/dbraw/zinc/47/73/02/865477302.db2.gz FLEQATGCDABZAP-FQEVSTJZSA-N 2 1 375.532 3.543 20 0 GHADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000480898315 865481597 /nfs/dbraw/zinc/48/15/97/865481597.db2.gz MMKVVJPXORDNNS-HOYKHHGWSA-N 2 1 381.539 3.986 20 0 GHADMP C[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000263034111 881891471 /nfs/dbraw/zinc/89/14/71/881891471.db2.gz UXLBZDKYEGVQFK-CYBMUJFWSA-N 2 1 377.410 3.549 20 0 GHADMP C[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000263034111 881891482 /nfs/dbraw/zinc/89/14/82/881891482.db2.gz UXLBZDKYEGVQFK-CYBMUJFWSA-N 2 1 377.410 3.549 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000481113202 865815800 /nfs/dbraw/zinc/81/58/00/865815800.db2.gz IFPYSHVAUBPVIY-TYPHKJRUSA-N 2 1 398.551 3.673 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000899377083 865870438 /nfs/dbraw/zinc/87/04/38/865870438.db2.gz UADWYOIJYRGSIU-AUSIDOKSSA-N 2 1 383.580 3.792 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481164313 865901810 /nfs/dbraw/zinc/90/18/10/865901810.db2.gz GYIQWAYKWOBIIB-WWNPGLIZSA-N 2 1 382.548 3.543 20 0 GHADMP C[NH+](C)CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CCCC1 ZINC000534096086 866125074 /nfs/dbraw/zinc/12/50/74/866125074.db2.gz CBBCOVGJCSNXQN-WOJBJXKFSA-N 2 1 392.975 3.601 20 0 GHADMP C[NH+](C)CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CCCC1 ZINC000534096086 866125076 /nfs/dbraw/zinc/12/50/76/866125076.db2.gz CBBCOVGJCSNXQN-WOJBJXKFSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC(=O)N(C)c3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000552919590 866493106 /nfs/dbraw/zinc/49/31/06/866493106.db2.gz IYPSMUGGSCSJII-UZKOGDIHSA-N 2 1 377.532 3.985 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000153483411 866517908 /nfs/dbraw/zinc/51/79/08/866517908.db2.gz PLFZGBILHVQYSS-ROUUACIJSA-N 2 1 382.504 3.529 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000153483411 866517915 /nfs/dbraw/zinc/51/79/15/866517915.db2.gz PLFZGBILHVQYSS-ROUUACIJSA-N 2 1 382.504 3.529 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000857084395 881995988 /nfs/dbraw/zinc/99/59/88/881995988.db2.gz PHEWGVPJUBDOFY-HBFSDRIKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000857084395 881996001 /nfs/dbraw/zinc/99/60/01/881996001.db2.gz PHEWGVPJUBDOFY-HBFSDRIKSA-N 2 1 375.557 3.790 20 0 GHADMP CC(C)N(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501020585 866738725 /nfs/dbraw/zinc/73/87/25/866738725.db2.gz MGDFEXIYSXMSEE-UHFFFAOYSA-N 2 1 380.536 3.671 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2ncc(-c3ccccc3)s2)CC1 ZINC000620430067 866748563 /nfs/dbraw/zinc/74/85/63/866748563.db2.gz HXKJVCMMWXAPGV-UHFFFAOYSA-N 2 1 394.504 3.601 20 0 GHADMP Cc1ccc([C@H](CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[NH+]2CCCC2)o1 ZINC000857098528 882012916 /nfs/dbraw/zinc/01/29/16/882012916.db2.gz DSGCGAJOTDFGKM-VXKWHMMOSA-N 2 1 395.547 3.964 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000553167251 866895229 /nfs/dbraw/zinc/89/52/29/866895229.db2.gz AHJJXWQGRLJRKM-WIYYLYMNSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000553167251 866895251 /nfs/dbraw/zinc/89/52/51/866895251.db2.gz AHJJXWQGRLJRKM-WIYYLYMNSA-N 2 1 385.939 3.581 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000444582912 866926940 /nfs/dbraw/zinc/92/69/40/866926940.db2.gz LFXKTLLRWLKQFR-LAUBAEHRSA-N 2 1 383.540 3.661 20 0 GHADMP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC000793207863 882034730 /nfs/dbraw/zinc/03/47/30/882034730.db2.gz SPLBLETVMWECCO-QWFCFKBJSA-N 2 1 375.557 3.790 20 0 GHADMP C[N@@H+]1Cc2ccc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC000920312399 882039177 /nfs/dbraw/zinc/03/91/77/882039177.db2.gz WVQRITFEVKADQQ-UHFFFAOYSA-N 2 1 380.561 3.583 20 0 GHADMP C[N@H+]1Cc2ccc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)cc2C1 ZINC000920312399 882039201 /nfs/dbraw/zinc/03/92/01/882039201.db2.gz WVQRITFEVKADQQ-UHFFFAOYSA-N 2 1 380.561 3.583 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000523329531 867085622 /nfs/dbraw/zinc/08/56/22/867085622.db2.gz YTFSOEROVQZBGB-OALUTQOASA-N 2 1 379.976 3.599 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000534609881 867134607 /nfs/dbraw/zinc/13/46/07/867134607.db2.gz OZEOGNVAAIKCNW-PVSGBFIBSA-N 2 1 392.547 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000534609881 867134610 /nfs/dbraw/zinc/13/46/10/867134610.db2.gz OZEOGNVAAIKCNW-PVSGBFIBSA-N 2 1 392.547 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000534609881 867134618 /nfs/dbraw/zinc/13/46/18/867134618.db2.gz OZEOGNVAAIKCNW-PVSGBFIBSA-N 2 1 392.547 3.567 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479081016 867144820 /nfs/dbraw/zinc/14/48/20/867144820.db2.gz PEEMNJNIHJTZHU-BJLQDIEVSA-N 2 1 395.613 3.502 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000153901799 867145619 /nfs/dbraw/zinc/14/56/19/867145619.db2.gz LKNICHKPBQNGOM-QZTJIDSGSA-N 2 1 399.501 3.575 20 0 GHADMP CCOc1ccccc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189961783 882052276 /nfs/dbraw/zinc/05/22/76/882052276.db2.gz JQWLGMYSPSXPRY-OALUTQOASA-N 2 1 395.547 3.770 20 0 GHADMP Cc1nn(C)cc1[C@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000553333462 867199836 /nfs/dbraw/zinc/19/98/36/867199836.db2.gz WUNYILNOYFXIAP-OTWHNJEPSA-N 2 1 384.568 3.588 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000154036487 867217152 /nfs/dbraw/zinc/21/71/52/867217152.db2.gz NVHDFHWDVMKKJM-NHCUHLMSSA-N 2 1 381.564 3.709 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000183689104 867246030 /nfs/dbraw/zinc/24/60/30/867246030.db2.gz IXWFXJCJRHUDBP-KKSFZXQISA-N 2 1 376.460 3.857 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000479210571 867359095 /nfs/dbraw/zinc/35/90/95/867359095.db2.gz NQSYUBKDRPPFTR-FQEVSTJZSA-N 2 1 380.467 3.875 20 0 GHADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000534721401 867366541 /nfs/dbraw/zinc/36/65/41/867366541.db2.gz GJKUOWSQXHZOQV-XZOQPEGZSA-N 2 1 394.563 3.514 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000183710223 867429063 /nfs/dbraw/zinc/42/90/63/867429063.db2.gz UNITXDYSTHHRRU-QFBILLFUSA-N 2 1 399.539 3.843 20 0 GHADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(Br)c1 ZINC000154530883 867449522 /nfs/dbraw/zinc/44/95/22/867449522.db2.gz YRHDXFIZIYDBBC-LJQANCHMSA-N 2 1 382.390 3.908 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)Cc2ccco2)C1 ZINC000553479559 867487786 /nfs/dbraw/zinc/48/77/86/867487786.db2.gz XKCJDLGSSXHAKG-CTNGQTDRSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)CCC[N@H+](C)Cc2ccco2)C1 ZINC000553479559 867487797 /nfs/dbraw/zinc/48/77/97/867487797.db2.gz XKCJDLGSSXHAKG-CTNGQTDRSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)C1 ZINC000553479559 867487806 /nfs/dbraw/zinc/48/78/06/867487806.db2.gz XKCJDLGSSXHAKG-CTNGQTDRSA-N 2 1 398.551 3.578 20 0 GHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(C[NH+](C)C)cc3C)CC2)cs1 ZINC000909612768 867519199 /nfs/dbraw/zinc/51/91/99/867519199.db2.gz NVQSZDCUJOVDNU-UHFFFAOYSA-N 2 1 386.565 3.672 20 0 GHADMP C[C@@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000523537848 867527767 /nfs/dbraw/zinc/52/77/67/867527767.db2.gz FZCHMZWTVNVEPE-FQEVSTJZSA-N 2 1 377.532 3.562 20 0 GHADMP C[C@@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000523537848 867527773 /nfs/dbraw/zinc/52/77/73/867527773.db2.gz FZCHMZWTVNVEPE-FQEVSTJZSA-N 2 1 377.532 3.562 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)CC1 ZINC000444963693 867567850 /nfs/dbraw/zinc/56/78/50/867567850.db2.gz HHMJTEMEXICAIZ-IBGZPJMESA-N 2 1 386.584 3.633 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000154852162 867630585 /nfs/dbraw/zinc/63/05/85/867630585.db2.gz ORVDWUXQDHFNGI-KGLIPLIRSA-N 2 1 375.340 3.850 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000457085740 867637162 /nfs/dbraw/zinc/63/71/62/867637162.db2.gz MZLLHZRLLRYWHO-SFHVURJKSA-N 2 1 385.474 3.555 20 0 GHADMP Cc1cnccc1OC1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857193082 882104006 /nfs/dbraw/zinc/10/40/06/882104006.db2.gz NPZKVCOWTBKMPY-NRFANRHFSA-N 2 1 393.531 3.883 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857193082 882104015 /nfs/dbraw/zinc/10/40/15/882104015.db2.gz NPZKVCOWTBKMPY-NRFANRHFSA-N 2 1 393.531 3.883 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857193082 882104019 /nfs/dbraw/zinc/10/40/19/882104019.db2.gz NPZKVCOWTBKMPY-NRFANRHFSA-N 2 1 393.531 3.883 20 0 GHADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479454824 867787381 /nfs/dbraw/zinc/78/73/81/867787381.db2.gz MKTVULCYOGYJNY-GJZGRUSLSA-N 2 1 395.263 3.575 20 0 GHADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479454824 867787390 /nfs/dbraw/zinc/78/73/90/867787390.db2.gz MKTVULCYOGYJNY-GJZGRUSLSA-N 2 1 395.263 3.575 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000509499118 882120949 /nfs/dbraw/zinc/12/09/49/882120949.db2.gz RDJRAHVOADTHBL-FPOVZHCZSA-N 2 1 399.510 3.584 20 0 GHADMP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534962953 867876593 /nfs/dbraw/zinc/87/65/93/867876593.db2.gz NCXIJEOEUOTYBA-LJQANCHMSA-N 2 1 397.588 3.741 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000553686167 867935606 /nfs/dbraw/zinc/93/56/06/867935606.db2.gz ZMZQYGHMYDPNNV-DHIUTWEWSA-N 2 1 394.563 3.631 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000479545547 867993346 /nfs/dbraw/zinc/99/33/46/867993346.db2.gz UOQBTBQBDAGBJC-FQEVSTJZSA-N 2 1 392.632 3.795 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857258051 882150049 /nfs/dbraw/zinc/15/00/49/882150049.db2.gz KCCDZXKGNSVYGA-OAQYLSRUSA-N 2 1 383.536 3.683 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857258051 882150061 /nfs/dbraw/zinc/15/00/61/882150061.db2.gz KCCDZXKGNSVYGA-OAQYLSRUSA-N 2 1 383.536 3.683 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857258051 882150065 /nfs/dbraw/zinc/15/00/65/882150065.db2.gz KCCDZXKGNSVYGA-OAQYLSRUSA-N 2 1 383.536 3.683 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c2cccs2)CC1 ZINC000457467626 868310249 /nfs/dbraw/zinc/31/02/49/868310249.db2.gz CAKHELVAFVZKMW-OALUTQOASA-N 2 1 392.613 3.552 20 0 GHADMP COc1cccc2cc(C[NH2+]C[C@H](c3cccs3)N3CC[NH+](C)CC3)oc21 ZINC000743722586 868385135 /nfs/dbraw/zinc/38/51/35/868385135.db2.gz ZWVXVILYXCFWKW-GOSISDBHSA-N 2 1 385.533 3.581 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000272271677 868476433 /nfs/dbraw/zinc/47/64/33/868476433.db2.gz BMRMYXVNRGIUDF-BBTUJRGHSA-N 2 1 386.561 3.651 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000457643910 868562146 /nfs/dbraw/zinc/56/21/46/868562146.db2.gz GKQDTCOHDPHIJS-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457643910 868562155 /nfs/dbraw/zinc/56/21/55/868562155.db2.gz GKQDTCOHDPHIJS-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000457643910 868562162 /nfs/dbraw/zinc/56/21/62/868562162.db2.gz GKQDTCOHDPHIJS-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000457668395 868604603 /nfs/dbraw/zinc/60/46/03/868604603.db2.gz WYYYIFMKDQYGFU-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000457668395 868604608 /nfs/dbraw/zinc/60/46/08/868604608.db2.gz WYYYIFMKDQYGFU-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000457668395 868604616 /nfs/dbraw/zinc/60/46/16/868604616.db2.gz WYYYIFMKDQYGFU-UGKGYDQZSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000479873095 868637085 /nfs/dbraw/zinc/63/70/85/868637085.db2.gz LSUNMADURSUFSM-QHCPKHFHSA-N 2 1 375.520 3.576 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000479873095 868637089 /nfs/dbraw/zinc/63/70/89/868637089.db2.gz LSUNMADURSUFSM-QHCPKHFHSA-N 2 1 375.520 3.576 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000479873094 868637247 /nfs/dbraw/zinc/63/72/47/868637247.db2.gz LSUNMADURSUFSM-HSZRJFAPSA-N 2 1 375.520 3.576 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000479873094 868637249 /nfs/dbraw/zinc/63/72/49/868637249.db2.gz LSUNMADURSUFSM-HSZRJFAPSA-N 2 1 375.520 3.576 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1Cl ZINC000554086758 868728195 /nfs/dbraw/zinc/72/81/95/868728195.db2.gz PJEGWIBKXPATCP-WKHFQEMYSA-N 2 1 384.951 3.916 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1Cl ZINC000554086755 868728258 /nfs/dbraw/zinc/72/82/58/868728258.db2.gz PJEGWIBKXPATCP-MHXAIHSWSA-N 2 1 384.951 3.916 20 0 GHADMP COc1cc2c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000479932767 868747058 /nfs/dbraw/zinc/74/70/58/868747058.db2.gz QOLAOLJNKVYFQX-NRFANRHFSA-N 2 1 381.451 3.868 20 0 GHADMP CCOc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)n1 ZINC000158002908 868827490 /nfs/dbraw/zinc/82/74/90/868827490.db2.gz SAUKDBYXCGRYOC-KRWDZBQOSA-N 2 1 386.515 3.612 20 0 GHADMP Cc1[nH+]ccn1CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000457848466 868862621 /nfs/dbraw/zinc/86/26/21/868862621.db2.gz QQCRFXBTBXMBMQ-HSZRJFAPSA-N 2 1 394.563 3.875 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccnn2-c2ccncc2)CC1 ZINC000667590014 868876569 /nfs/dbraw/zinc/87/65/69/868876569.db2.gz IXEQSLUTFGUZFS-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP Cc1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C[NH+](C)C)c1 ZINC000524349699 868949881 /nfs/dbraw/zinc/94/98/81/868949881.db2.gz FCBQVVKEUGMJDD-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP Cc1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C[NH+](C)C)c1 ZINC000524349699 868949888 /nfs/dbraw/zinc/94/98/88/868949888.db2.gz FCBQVVKEUGMJDD-KDURUIRLSA-N 2 1 395.547 3.918 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000121907471 882306152 /nfs/dbraw/zinc/30/61/52/882306152.db2.gz LPLUOJPHFKRPNV-FQEVSTJZSA-N 2 1 379.976 3.869 20 0 GHADMP CC(C)Cc1ncc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000539823707 869852815 /nfs/dbraw/zinc/85/28/15/869852815.db2.gz KEWTYQFIBDZLOP-UHFFFAOYSA-N 2 1 392.657 3.970 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000539851622 869899764 /nfs/dbraw/zinc/89/97/64/869899764.db2.gz WPKTXYSIGXYJRL-NRFANRHFSA-N 2 1 388.531 3.561 20 0 GHADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000462690541 869902363 /nfs/dbraw/zinc/90/23/63/869902363.db2.gz IJTPHQUNPYUFRU-PMACEKPBSA-N 2 1 397.563 3.946 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462738500 869996049 /nfs/dbraw/zinc/99/60/49/869996049.db2.gz LDRKIWZFMFWHFA-QFIPXVFZSA-N 2 1 388.600 3.662 20 0 GHADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000446751066 870293409 /nfs/dbraw/zinc/29/34/09/870293409.db2.gz BCIYYIBYPXQARH-DEOSSOPVSA-N 2 1 389.547 3.972 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCN(c4ccccc4F)C3)sc2C1 ZINC000462911043 870369061 /nfs/dbraw/zinc/36/90/61/870369061.db2.gz MPPQBPAEUYJBMJ-MRXNPFEDSA-N 2 1 388.556 3.665 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCN(c4ccccc4F)C3)sc2C1 ZINC000462911043 870369078 /nfs/dbraw/zinc/36/90/78/870369078.db2.gz MPPQBPAEUYJBMJ-MRXNPFEDSA-N 2 1 388.556 3.665 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000248402756 870374464 /nfs/dbraw/zinc/37/44/64/870374464.db2.gz WIHXYRFXBSKILE-GZOXUSKESA-N 2 1 379.548 3.988 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)c1 ZINC000248402756 870374485 /nfs/dbraw/zinc/37/44/85/870374485.db2.gz WIHXYRFXBSKILE-GZOXUSKESA-N 2 1 379.548 3.988 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@@H](C)C1 ZINC000248428089 870408693 /nfs/dbraw/zinc/40/86/93/870408693.db2.gz QPUGPRFJFBCRBU-CVDCTZTESA-N 2 1 397.563 3.984 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@@H](C)C1 ZINC000248428089 870408706 /nfs/dbraw/zinc/40/87/06/870408706.db2.gz QPUGPRFJFBCRBU-CVDCTZTESA-N 2 1 397.563 3.984 20 0 GHADMP CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001192481934 870456146 /nfs/dbraw/zinc/45/61/46/870456146.db2.gz RQBPOOJSPSPQJJ-XLIONFOSSA-N 2 1 391.987 3.961 20 0 GHADMP CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001192481934 870456152 /nfs/dbraw/zinc/45/61/52/870456152.db2.gz RQBPOOJSPSPQJJ-XLIONFOSSA-N 2 1 391.987 3.961 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4)c3)C2)CC1 ZINC000538725425 870519963 /nfs/dbraw/zinc/51/99/63/870519963.db2.gz VDDBFPJVUVGMJM-XMMPIXPASA-N 2 1 393.575 3.866 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248606977 870533495 /nfs/dbraw/zinc/53/34/95/870533495.db2.gz WMTIPPRSEBRVCZ-FCEWJHQRSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248606977 870533500 /nfs/dbraw/zinc/53/35/00/870533500.db2.gz WMTIPPRSEBRVCZ-FCEWJHQRSA-N 2 1 375.944 3.688 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@H](C)C1 ZINC000540143370 870595439 /nfs/dbraw/zinc/59/54/39/870595439.db2.gz FOLZSTGQTPPJIN-WYZYGFAWSA-N 3 1 379.633 3.756 20 0 GHADMP CCOCCCN1CC[C@@H]([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)[C@H](C)C1 ZINC000540143370 870595445 /nfs/dbraw/zinc/59/54/45/870595445.db2.gz FOLZSTGQTPPJIN-WYZYGFAWSA-N 2 1 379.633 3.756 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540159234 870621227 /nfs/dbraw/zinc/62/12/27/870621227.db2.gz XDQNNYTVYQVRKW-WZONZLPQSA-N 2 1 384.520 3.583 20 0 GHADMP COc1cc(OC)cc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000540159234 870621232 /nfs/dbraw/zinc/62/12/32/870621232.db2.gz XDQNNYTVYQVRKW-WZONZLPQSA-N 2 1 384.520 3.583 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000538797406 870625548 /nfs/dbraw/zinc/62/55/48/870625548.db2.gz DYDGQAJMMOXZNW-JAXLGGSGSA-N 2 1 390.568 3.948 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000538797406 870625560 /nfs/dbraw/zinc/62/55/60/870625560.db2.gz DYDGQAJMMOXZNW-JAXLGGSGSA-N 2 1 390.568 3.948 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000540168618 870652247 /nfs/dbraw/zinc/65/22/47/870652247.db2.gz DTSDBEWTWJFLCY-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000540168618 870652252 /nfs/dbraw/zinc/65/22/52/870652252.db2.gz DTSDBEWTWJFLCY-OFNKIYASSA-N 2 1 379.548 3.535 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CCS2 ZINC000248883034 870675766 /nfs/dbraw/zinc/67/57/66/870675766.db2.gz XIGVJYJKDDBMAO-UGKGYDQZSA-N 2 1 398.572 3.979 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000525452516 870712666 /nfs/dbraw/zinc/71/26/66/870712666.db2.gz HSEYTCGIUTWOLT-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001170438301 882438431 /nfs/dbraw/zinc/43/84/31/882438431.db2.gz RDBJRJRZSYAXMR-CEXWTWQISA-N 2 1 384.545 3.862 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001170438301 882438439 /nfs/dbraw/zinc/43/84/39/882438439.db2.gz RDBJRJRZSYAXMR-CEXWTWQISA-N 2 1 384.545 3.862 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001170438301 882438444 /nfs/dbraw/zinc/43/84/44/882438444.db2.gz RDBJRJRZSYAXMR-CEXWTWQISA-N 2 1 384.545 3.862 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001170438301 882438448 /nfs/dbraw/zinc/43/84/48/882438448.db2.gz RDBJRJRZSYAXMR-CEXWTWQISA-N 2 1 384.545 3.862 20 0 GHADMP C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000461698067 870752841 /nfs/dbraw/zinc/75/28/41/870752841.db2.gz KDZRHJXVKFWFOA-JXFKEZNVSA-N 2 1 399.501 3.534 20 0 GHADMP Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000249123913 870765799 /nfs/dbraw/zinc/76/57/99/870765799.db2.gz ZREJFSGAJKCIMA-UNMCSNQZSA-N 2 1 396.535 3.502 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC001193022254 870850943 /nfs/dbraw/zinc/85/09/43/870850943.db2.gz QPQJVQUGYHSTIY-UHFFFAOYSA-N 2 1 383.580 3.754 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC001193022254 870850964 /nfs/dbraw/zinc/85/09/64/870850964.db2.gz QPQJVQUGYHSTIY-UHFFFAOYSA-N 2 1 383.580 3.754 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000122166799 882456413 /nfs/dbraw/zinc/45/64/13/882456413.db2.gz JQZLMJZSGLXJTI-HXUWFJFHSA-N 2 1 389.584 3.701 20 0 GHADMP COC(=O)[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000447060857 870938275 /nfs/dbraw/zinc/93/82/75/870938275.db2.gz RUEZDECPWOWHPN-QHCPKHFHSA-N 2 1 384.495 3.511 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1nc3ccc(C[N@@H+](C)C4CC4)cc3s1)C2 ZINC000617865846 870972985 /nfs/dbraw/zinc/97/29/85/870972985.db2.gz SPEVOBJDONPJBS-HNNXBMFYSA-N 2 1 395.532 3.597 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1nc3ccc(C[N@H+](C)C4CC4)cc3s1)C2 ZINC000617865846 870972995 /nfs/dbraw/zinc/97/29/95/870972995.db2.gz SPEVOBJDONPJBS-HNNXBMFYSA-N 2 1 395.532 3.597 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1nc3ccc(C[N@@H+](C)C4CC4)cc3s1)CC2 ZINC000617865488 870974613 /nfs/dbraw/zinc/97/46/13/870974613.db2.gz HZAMUVRMHPVJEI-OAHLLOKOSA-N 2 1 395.532 3.597 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1nc3ccc(C[N@H+](C)C4CC4)cc3s1)CC2 ZINC000617865488 870974616 /nfs/dbraw/zinc/97/46/16/870974616.db2.gz HZAMUVRMHPVJEI-OAHLLOKOSA-N 2 1 395.532 3.597 20 0 GHADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429697793 871047317 /nfs/dbraw/zinc/04/73/17/871047317.db2.gz MKPRLQPACJRSSL-OFNKIYASSA-N 2 1 399.604 3.718 20 0 GHADMP C[C@H](c1ccsc1)[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429697793 871047351 /nfs/dbraw/zinc/04/73/51/871047351.db2.gz MKPRLQPACJRSSL-OFNKIYASSA-N 2 1 399.604 3.718 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000540393708 871163263 /nfs/dbraw/zinc/16/32/63/871163263.db2.gz NTQWPLIXHJWGKD-XUVXKRRUSA-N 2 1 378.944 3.911 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@]1(CC3CC3)CCCN1C(=O)OC(C)(C)C)C2 ZINC001169118420 871208543 /nfs/dbraw/zinc/20/85/43/871208543.db2.gz JIWOMGZOUKQFMW-VQQMMKBISA-N 2 1 377.573 3.771 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000540430784 871242271 /nfs/dbraw/zinc/24/22/71/871242271.db2.gz RWWQXWDKBIUDKC-UHFFFAOYSA-N 2 1 392.547 3.882 20 0 GHADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC001169224323 871317106 /nfs/dbraw/zinc/31/71/06/871317106.db2.gz HALZPMTYRMMWMT-UHFFFAOYSA-N 2 1 380.492 3.693 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC001169224323 871317125 /nfs/dbraw/zinc/31/71/25/871317125.db2.gz HALZPMTYRMMWMT-UHFFFAOYSA-N 2 1 380.492 3.693 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC001169224323 871317144 /nfs/dbraw/zinc/31/71/44/871317144.db2.gz HALZPMTYRMMWMT-UHFFFAOYSA-N 2 1 380.492 3.693 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CC3CC3)CC3CCC3)CC2)cc1 ZINC001193819660 871325913 /nfs/dbraw/zinc/32/59/13/871325913.db2.gz NVJDSHNRSLQCGG-UHFFFAOYSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CC3CC3)CC3CCC3)CC2)cc1 ZINC001193819660 871325931 /nfs/dbraw/zinc/32/59/31/871325931.db2.gz NVJDSHNRSLQCGG-UHFFFAOYSA-N 2 1 383.580 3.541 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CC3CC3)CC3CCC3)CC2)cc1 ZINC001193819660 871325951 /nfs/dbraw/zinc/32/59/51/871325951.db2.gz NVJDSHNRSLQCGG-UHFFFAOYSA-N 2 1 383.580 3.541 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(-c3ccncc3)c2)c2cccs2)CC1 ZINC000525758803 871352419 /nfs/dbraw/zinc/35/24/19/871352419.db2.gz DGKRMBVAVBCGSI-QFIPXVFZSA-N 2 1 392.572 3.888 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000461998390 871415249 /nfs/dbraw/zinc/41/52/49/871415249.db2.gz UIFKAJYLAWNFCV-UHFFFAOYSA-N 2 1 379.548 3.632 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000539149721 871432857 /nfs/dbraw/zinc/43/28/57/871432857.db2.gz UPAMZDBLRKRTGX-OYRHEFFESA-N 2 1 396.575 3.973 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCc3ccc4ccccc4c3)CC2)C[C@H](C)O1 ZINC000539149721 871432865 /nfs/dbraw/zinc/43/28/65/871432865.db2.gz UPAMZDBLRKRTGX-OYRHEFFESA-N 2 1 396.575 3.973 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc1 ZINC000447350427 871457062 /nfs/dbraw/zinc/45/70/62/871457062.db2.gz RWONEFOEBOGZTF-UHFFFAOYSA-N 2 1 380.536 3.563 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001169467276 871543704 /nfs/dbraw/zinc/54/37/04/871543704.db2.gz MBPMQOXQRPHCTB-AZUAARDMSA-N 2 1 375.557 3.603 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC001169489267 871588015 /nfs/dbraw/zinc/58/80/15/871588015.db2.gz KXAFPKKAEZAYHK-MRXNPFEDSA-N 2 1 399.501 3.906 20 0 GHADMP Nc1cc[nH+]c2cc(N[C@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)ccc12 ZINC001169523379 871599072 /nfs/dbraw/zinc/59/90/72/871599072.db2.gz VTMRXHLZXHQJET-JTSKRJEESA-N 2 1 390.487 3.688 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001169524076 871600626 /nfs/dbraw/zinc/60/06/26/871600626.db2.gz CFJFNACJKHDOKP-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001169524076 871600630 /nfs/dbraw/zinc/60/06/30/871600630.db2.gz CFJFNACJKHDOKP-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001169524076 871600643 /nfs/dbraw/zinc/60/06/43/871600643.db2.gz CFJFNACJKHDOKP-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001169539929 871617613 /nfs/dbraw/zinc/61/76/13/871617613.db2.gz KZNYRFQTRNWBFD-GCJKJVERSA-N 2 1 390.531 3.931 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169709633 871793456 /nfs/dbraw/zinc/79/34/56/871793456.db2.gz JJKQNUIGNQBTGZ-LADGPHEKSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169709633 871793469 /nfs/dbraw/zinc/79/34/69/871793469.db2.gz JJKQNUIGNQBTGZ-LADGPHEKSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169709633 871793481 /nfs/dbraw/zinc/79/34/81/871793481.db2.gz JJKQNUIGNQBTGZ-LADGPHEKSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169709635 871794026 /nfs/dbraw/zinc/79/40/26/871794026.db2.gz JJKQNUIGNQBTGZ-UPVQGACJSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169709635 871794038 /nfs/dbraw/zinc/79/40/38/871794038.db2.gz JJKQNUIGNQBTGZ-UPVQGACJSA-N 2 1 399.579 3.986 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169709635 871794043 /nfs/dbraw/zinc/79/40/43/871794043.db2.gz JJKQNUIGNQBTGZ-UPVQGACJSA-N 2 1 399.579 3.986 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001169727403 871803722 /nfs/dbraw/zinc/80/37/22/871803722.db2.gz ABHFJPBUMKPOHB-QDSKXPNFSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001169727403 871803739 /nfs/dbraw/zinc/80/37/39/871803739.db2.gz ABHFJPBUMKPOHB-QDSKXPNFSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462191682 871822961 /nfs/dbraw/zinc/82/29/61/871822961.db2.gz WCIBSWRKMOCXFO-YKSBVNFPSA-N 2 1 391.559 3.535 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540645715 871831229 /nfs/dbraw/zinc/83/12/29/871831229.db2.gz GIHSGFNLONMTBC-UHFFFAOYSA-N 2 1 389.341 3.603 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCN1 ZINC001169831330 871900359 /nfs/dbraw/zinc/90/03/59/871900359.db2.gz QDVXLXKQIQAUAV-VXKWHMMOSA-N 2 1 397.950 3.786 20 0 GHADMP Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCN1 ZINC001169831330 871900374 /nfs/dbraw/zinc/90/03/74/871900374.db2.gz QDVXLXKQIQAUAV-VXKWHMMOSA-N 2 1 397.950 3.786 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(C)c1 ZINC000552041002 871920379 /nfs/dbraw/zinc/92/03/79/871920379.db2.gz WQWUSSXEMPPIGE-HSZRJFAPSA-N 2 1 395.547 3.897 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000552046088 871931902 /nfs/dbraw/zinc/93/19/02/871931902.db2.gz XSULGERMIOUJGS-LJQANCHMSA-N 2 1 385.474 3.654 20 0 GHADMP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000093336756 872093494 /nfs/dbraw/zinc/09/34/94/872093494.db2.gz QVNPRRBVBHTMAV-JOCHJYFZSA-N 2 1 375.520 3.530 20 0 GHADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000093336756 872093516 /nfs/dbraw/zinc/09/35/16/872093516.db2.gz QVNPRRBVBHTMAV-JOCHJYFZSA-N 2 1 375.520 3.530 20 0 GHADMP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000093336756 872093539 /nfs/dbraw/zinc/09/35/39/872093539.db2.gz QVNPRRBVBHTMAV-JOCHJYFZSA-N 2 1 375.520 3.530 20 0 GHADMP CCC[N@H+](Cc1cc(OC)cc(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417559 872166170 /nfs/dbraw/zinc/16/61/70/872166170.db2.gz CYVCIXBVOBCNCU-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP CCC[N@@H+](Cc1cc(OC)cc(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417559 872166185 /nfs/dbraw/zinc/16/61/85/872166185.db2.gz CYVCIXBVOBCNCU-UHFFFAOYSA-N 2 1 398.551 3.992 20 0 GHADMP O=C(C[N@@H+]1CC[C@H](C2CCC2)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195146099 872199701 /nfs/dbraw/zinc/19/97/01/872199701.db2.gz BLEPSKCMWWOVIX-GHTZIAJQSA-N 2 1 389.971 3.715 20 0 GHADMP O=C(C[N@H+]1CC[C@H](C2CCC2)C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001195146099 872199709 /nfs/dbraw/zinc/19/97/09/872199709.db2.gz BLEPSKCMWWOVIX-GHTZIAJQSA-N 2 1 389.971 3.715 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000618985668 872214134 /nfs/dbraw/zinc/21/41/34/872214134.db2.gz MQQMGTWSFXQPAO-ICSRJNTNSA-N 2 1 386.584 3.730 20 0 GHADMP CCOc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1OC(F)F ZINC000093734952 872370765 /nfs/dbraw/zinc/37/07/65/872370765.db2.gz MXUCLXZAPKJZQS-UHFFFAOYSA-N 2 1 398.494 3.764 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835790 872375933 /nfs/dbraw/zinc/37/59/33/872375933.db2.gz ZWSQLOJHSFOLCD-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[NH+]1Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835790 872375950 /nfs/dbraw/zinc/37/59/50/872375950.db2.gz ZWSQLOJHSFOLCD-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@H](O)C[C@H]1CCCC[NH+]1Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835790 872375961 /nfs/dbraw/zinc/37/59/61/872375961.db2.gz ZWSQLOJHSFOLCD-NVXDSCFRSA-N 2 1 388.596 3.937 20 0 GHADMP CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818725 872440500 /nfs/dbraw/zinc/44/05/00/872440500.db2.gz DMUCIMJERYNKJM-HSZRJFAPSA-N 2 1 389.547 3.920 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)c(C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818725 872440509 /nfs/dbraw/zinc/44/05/09/872440509.db2.gz DMUCIMJERYNKJM-HSZRJFAPSA-N 2 1 389.547 3.920 20 0 GHADMP CC[NH+](Cc1ccc(-n2cncn2)c(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818725 872440514 /nfs/dbraw/zinc/44/05/14/872440514.db2.gz DMUCIMJERYNKJM-HSZRJFAPSA-N 2 1 389.547 3.920 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093942552 872490124 /nfs/dbraw/zinc/49/01/24/872490124.db2.gz DBONFXDHKNFDBE-FQEVSTJZSA-N 2 1 380.580 3.741 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133943665 882628428 /nfs/dbraw/zinc/62/84/28/882628428.db2.gz FLGVKAGQMFGTKF-UHFFFAOYSA-N 3 1 394.607 3.959 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cc(C)ccc2C)cc1 ZINC000541022666 872736485 /nfs/dbraw/zinc/73/64/85/872736485.db2.gz LEGKBLMEJQKOTO-GCJKJVERSA-N 2 1 379.504 3.888 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000060954484 882661601 /nfs/dbraw/zinc/66/16/01/882661601.db2.gz CYKLENLWUCICNJ-QFIPXVFZSA-N 2 1 382.552 3.629 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(Br)nn1C ZINC000785418132 872999217 /nfs/dbraw/zinc/99/92/17/872999217.db2.gz OJQLGVMVSDSMNC-OAHLLOKOSA-N 2 1 391.357 3.847 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(Br)nn1C ZINC000785418132 872999228 /nfs/dbraw/zinc/99/92/28/872999228.db2.gz OJQLGVMVSDSMNC-OAHLLOKOSA-N 2 1 391.357 3.847 20 0 GHADMP O=C(C[N@@H+](CCC1CC1)CC1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001196376550 873060981 /nfs/dbraw/zinc/06/09/81/873060981.db2.gz XVDYOWHHNCIVMA-UHFFFAOYSA-N 2 1 387.593 3.686 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccnn1-c1ccccc1 ZINC000467378158 882686114 /nfs/dbraw/zinc/68/61/14/882686114.db2.gz QUUBKBOALUNBIR-UXHICEINSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccnn1-c1ccccc1 ZINC000467378158 882686122 /nfs/dbraw/zinc/68/61/22/882686122.db2.gz QUUBKBOALUNBIR-UXHICEINSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H](NC(=O)CN1CCC(CCCn2ccnc2)CC1)c1ccc(Cl)cc1 ZINC000541201318 873126397 /nfs/dbraw/zinc/12/63/97/873126397.db2.gz MLBPNYCFQXDMDH-KRWDZBQOSA-N 2 1 388.943 3.906 20 0 GHADMP Cc1ccc([C@H](Cc2ccccc2Br)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000464072987 873172125 /nfs/dbraw/zinc/17/21/25/873172125.db2.gz SRIIFXPTGQTANV-ICSRJNTNSA-N 2 1 391.353 3.553 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000541347619 873405785 /nfs/dbraw/zinc/40/57/85/873405785.db2.gz BJDSZNKHJWQDCV-INIZCTEOSA-N 2 1 381.358 3.808 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000122817846 882719605 /nfs/dbraw/zinc/71/96/05/882719605.db2.gz SSRQWJIBOZNBCM-QGZVFWFLSA-N 2 1 383.540 3.663 20 0 GHADMP CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2ccncc2Cl)CC1 ZINC000527669074 873428796 /nfs/dbraw/zinc/42/87/96/873428796.db2.gz XDZPPYIAALXMQH-UHFFFAOYSA-N 2 1 398.860 3.795 20 0 GHADMP Clc1cnccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000527714387 873521437 /nfs/dbraw/zinc/52/14/37/873521437.db2.gz ZKKSQQQDXUOHQT-FQEVSTJZSA-N 2 1 385.939 3.753 20 0 GHADMP Clc1cnccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000527714387 873521453 /nfs/dbraw/zinc/52/14/53/873521453.db2.gz ZKKSQQQDXUOHQT-FQEVSTJZSA-N 2 1 385.939 3.753 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000541425145 873536862 /nfs/dbraw/zinc/53/68/62/873536862.db2.gz MCEFEJFVPCPBOR-WOJBJXKFSA-N 2 1 384.568 3.580 20 0 GHADMP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541424542 873538038 /nfs/dbraw/zinc/53/80/38/873538038.db2.gz AHHUNHBOIMKXFJ-LJQANCHMSA-N 2 1 386.584 3.826 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541424542 873538052 /nfs/dbraw/zinc/53/80/52/873538052.db2.gz AHHUNHBOIMKXFJ-LJQANCHMSA-N 2 1 386.584 3.826 20 0 GHADMP Cc1cccc([C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C(C)C)c1 ZINC000527853007 873670825 /nfs/dbraw/zinc/67/08/25/873670825.db2.gz SBPMLSXBIMQZLF-HSZRJFAPSA-N 2 1 379.548 3.870 20 0 GHADMP Cc1cncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550881748 882760886 /nfs/dbraw/zinc/76/08/86/882760886.db2.gz CGPPVZXKUCYRNE-NZQKXSOJSA-N 2 1 379.548 3.969 20 0 GHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000122919890 882780663 /nfs/dbraw/zinc/78/06/63/882780663.db2.gz JSDYJIXROSVSDF-UHFFFAOYSA-N 2 1 381.520 3.577 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000122919890 882780671 /nfs/dbraw/zinc/78/06/71/882780671.db2.gz JSDYJIXROSVSDF-UHFFFAOYSA-N 2 1 381.520 3.577 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001168153129 882787451 /nfs/dbraw/zinc/78/74/51/882787451.db2.gz FQEOZBBQTJHDHI-HNNXBMFYSA-N 2 1 381.948 3.589 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)COc3cc(C)ccc3Cl)CC2)[nH+]c1C ZINC001197844312 874068022 /nfs/dbraw/zinc/06/80/22/874068022.db2.gz COHKAOPLKAMJAG-QGZVFWFLSA-N 2 1 377.916 3.608 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000769466519 874089807 /nfs/dbraw/zinc/08/98/07/874089807.db2.gz LCNZBZDLTPWDFX-HXUWFJFHSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)c2C1 ZINC000448892414 874149425 /nfs/dbraw/zinc/14/94/25/874149425.db2.gz BQOXXDBQXOEODV-UHFFFAOYSA-N 2 1 375.476 3.881 20 0 GHADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)c2C1 ZINC000448892414 874149429 /nfs/dbraw/zinc/14/94/29/874149429.db2.gz BQOXXDBQXOEODV-UHFFFAOYSA-N 2 1 375.476 3.881 20 0 GHADMP C[C@H](C[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1)NC(=O)OC(C)(C)C ZINC000769676249 874228123 /nfs/dbraw/zinc/22/81/23/874228123.db2.gz AMPITSZSQFHIBB-QZTJIDSGSA-N 2 1 375.557 3.716 20 0 GHADMP C[C@H](C[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1)NC(=O)OC(C)(C)C ZINC000769676249 874228138 /nfs/dbraw/zinc/22/81/38/874228138.db2.gz AMPITSZSQFHIBB-QZTJIDSGSA-N 2 1 375.557 3.716 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](CN1C[C@H]2C[NH+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001198270249 874341003 /nfs/dbraw/zinc/34/10/03/874341003.db2.gz JGIUPJOVGMEJQH-GVAUOCQISA-N 2 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001198270249 874341017 /nfs/dbraw/zinc/34/10/17/874341017.db2.gz JGIUPJOVGMEJQH-GVAUOCQISA-N 2 1 377.576 3.786 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)c1ccccc1 ZINC001198270249 874341028 /nfs/dbraw/zinc/34/10/28/874341028.db2.gz JGIUPJOVGMEJQH-GVAUOCQISA-N 2 1 377.576 3.786 20 0 GHADMP CC(C)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000541849473 874376067 /nfs/dbraw/zinc/37/60/67/874376067.db2.gz RZKQACXQANLVLU-QUCCMNQESA-N 2 1 376.545 3.558 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000449063277 874399768 /nfs/dbraw/zinc/39/97/68/874399768.db2.gz OOVCZYPNVBVNLT-GOSISDBHSA-N 2 1 398.547 3.898 20 0 GHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449174917 874552917 /nfs/dbraw/zinc/55/29/17/874552917.db2.gz IXVCUMKIRHJERJ-KGPRRQHISA-N 2 1 376.610 3.751 20 0 GHADMP Fc1ccccc1-c1ncc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000449160979 874559429 /nfs/dbraw/zinc/55/94/29/874559429.db2.gz NRCYKLJAEIDCKE-HNNXBMFYSA-N 2 1 375.513 3.540 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000528442629 874581196 /nfs/dbraw/zinc/58/11/96/874581196.db2.gz WRKPUJAVOJHCOJ-YZVOILCLSA-N 2 1 393.934 3.827 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000528442629 874581201 /nfs/dbraw/zinc/58/12/01/874581201.db2.gz WRKPUJAVOJHCOJ-YZVOILCLSA-N 2 1 393.934 3.827 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCCCC1 ZINC000302926568 874591009 /nfs/dbraw/zinc/59/10/09/874591009.db2.gz DEPGHYFTXHHLLQ-JOCHJYFZSA-N 2 1 386.584 3.777 20 0 GHADMP CC(C)COc1ccccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000449235138 874601883 /nfs/dbraw/zinc/60/18/83/874601883.db2.gz TVVORUKUSNZFMB-HSZRJFAPSA-N 2 1 382.548 3.968 20 0 GHADMP CC(C)COc1ccccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000449235139 874602355 /nfs/dbraw/zinc/60/23/55/874602355.db2.gz TVVORUKUSNZFMB-QHCPKHFHSA-N 2 1 382.548 3.968 20 0 GHADMP C[NH2+]C(C)(C)CNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000541963554 874653233 /nfs/dbraw/zinc/65/32/33/874653233.db2.gz UEYQOVFYWLVQTN-FQEVSTJZSA-N 2 1 390.572 3.586 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000528560243 874705917 /nfs/dbraw/zinc/70/59/17/874705917.db2.gz KTNWOIAGCYPRIS-NRFANRHFSA-N 2 1 389.971 3.639 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000528560243 874705921 /nfs/dbraw/zinc/70/59/21/874705921.db2.gz KTNWOIAGCYPRIS-NRFANRHFSA-N 2 1 389.971 3.639 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccnc(OC(F)F)c2)CC1 ZINC000449313102 874720400 /nfs/dbraw/zinc/72/04/00/874720400.db2.gz UPGOWDRAFBGQAA-INIZCTEOSA-N 2 1 375.463 3.868 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)CC1)CC1CC1 ZINC000770686656 874824985 /nfs/dbraw/zinc/82/49/85/874824985.db2.gz NWZAJRVMOGDRNG-AUSIDOKSSA-N 2 1 383.580 3.998 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507241 874972485 /nfs/dbraw/zinc/97/24/85/874972485.db2.gz SURIZDNGHYKXNS-VWNXMTODSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507241 874972498 /nfs/dbraw/zinc/97/24/98/874972498.db2.gz SURIZDNGHYKXNS-VWNXMTODSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507241 874972503 /nfs/dbraw/zinc/97/25/03/874972503.db2.gz SURIZDNGHYKXNS-VWNXMTODSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507241 874972513 /nfs/dbraw/zinc/97/25/13/874972513.db2.gz SURIZDNGHYKXNS-VWNXMTODSA-N 2 1 385.596 3.692 20 0 GHADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC001199743607 875160986 /nfs/dbraw/zinc/16/09/86/875160986.db2.gz XNTVUCZPRZSIBU-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC001199743607 875160990 /nfs/dbraw/zinc/16/09/90/875160990.db2.gz XNTVUCZPRZSIBU-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP c1ccc(C[NH+]2CCCO[C@H](CN3CCC[N@H+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728151 882901884 /nfs/dbraw/zinc/90/18/84/882901884.db2.gz YIEZDPDLFQOEAM-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728151 882901893 /nfs/dbraw/zinc/90/18/93/882901893.db2.gz YIEZDPDLFQOEAM-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[NH+](CC4CCCCC4)CC3)C2)cc1 ZINC000429728151 882901900 /nfs/dbraw/zinc/90/19/00/882901900.db2.gz YIEZDPDLFQOEAM-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000105451121 875297675 /nfs/dbraw/zinc/29/76/75/875297675.db2.gz OHDVAVZOLHKQDC-UHFFFAOYSA-N 2 1 398.378 3.632 20 0 GHADMP CC(C)C[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000449859806 875562065 /nfs/dbraw/zinc/56/20/65/875562065.db2.gz XELAZPWKQSDIED-GHTZIAJQSA-N 2 1 391.519 3.763 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC)c(Cl)c1 ZINC001201424435 875681984 /nfs/dbraw/zinc/68/19/84/875681984.db2.gz QRVWZUKPOXGILA-MRXNPFEDSA-N 2 1 399.004 3.942 20 0 GHADMP c1ccc(COc2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)cc2)cc1 ZINC000776174655 875691561 /nfs/dbraw/zinc/69/15/61/875691561.db2.gz QHBAAQVUUPTIKG-XMMPIXPASA-N 2 1 380.532 3.999 20 0 GHADMP CN(C(=O)c1ccc2cnccc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000450228464 876091716 /nfs/dbraw/zinc/09/17/16/876091716.db2.gz UNLUPBWRZSHRAC-DHIUTWEWSA-N 2 1 394.563 3.644 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCCC(F)(F)F)CC2 ZINC001202396078 876197984 /nfs/dbraw/zinc/19/79/84/876197984.db2.gz TUVJUSWERCQDBL-GOSISDBHSA-N 2 1 385.474 3.727 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2cccs2)CC1 ZINC000173402504 876364336 /nfs/dbraw/zinc/36/43/36/876364336.db2.gz JRHKPUNZTKWSNP-GUDVDZBRSA-N 2 1 392.613 3.645 20 0 GHADMP Cc1cc(C)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000108421010 876467107 /nfs/dbraw/zinc/46/71/07/876467107.db2.gz XYZBZBUJTNVFGQ-QFIPXVFZSA-N 2 1 379.548 3.599 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC000152003569 876472422 /nfs/dbraw/zinc/47/24/22/876472422.db2.gz XCAQSPKNNSJFHH-UHFFFAOYSA-N 2 1 387.568 3.806 20 0 GHADMP CC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000529719557 876559658 /nfs/dbraw/zinc/55/96/58/876559658.db2.gz OKMJJVGLKRVNND-QFIPXVFZSA-N 2 1 383.580 3.812 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000850012069 876598027 /nfs/dbraw/zinc/59/80/27/876598027.db2.gz BUGJFLINNZAPBG-UHFFFAOYSA-N 2 1 387.568 3.942 20 0 GHADMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192934010 883050529 /nfs/dbraw/zinc/05/05/29/883050529.db2.gz OJNXJBHUSCCCGJ-LJQANCHMSA-N 2 1 376.504 3.697 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(C)c1OCc1ccccn1 ZINC000850397323 876879009 /nfs/dbraw/zinc/87/90/09/876879009.db2.gz VYODYERZARCJIJ-HSZRJFAPSA-N 2 1 395.547 3.620 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000850421281 876903107 /nfs/dbraw/zinc/90/31/07/876903107.db2.gz SOUKQJOMQOHCJD-WIBUTAKZSA-N 2 1 378.438 3.780 20 0 GHADMP C[NH+](CC[C@H]1CCCO1)Cc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)ccc1F ZINC000450821447 876956878 /nfs/dbraw/zinc/95/68/78/876956878.db2.gz RCOSDBVFIOEYDU-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP C[NH+](CC[C@@H]1CCCO1)Cc1ccc(F)c(C[N@H+](C)CC[C@H]2CCCO2)c1 ZINC000450821447 876956883 /nfs/dbraw/zinc/95/68/83/876956883.db2.gz RCOSDBVFIOEYDU-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP C[NH+](CC[C@@H]1CCCO1)Cc1ccc(F)c(C[N@@H+](C)CC[C@H]2CCCO2)c1 ZINC000450821447 876956897 /nfs/dbraw/zinc/95/68/97/876956897.db2.gz RCOSDBVFIOEYDU-LEWJYISDSA-N 2 1 378.532 3.828 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786816431 876972161 /nfs/dbraw/zinc/97/21/61/876972161.db2.gz VOCGLFXACFNCLA-TZIWHRDSSA-N 2 1 392.547 3.779 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)cc2)C1 ZINC000850509494 876982097 /nfs/dbraw/zinc/98/20/97/876982097.db2.gz QTCDNYULDADSBG-DNQXCXABSA-N 2 1 380.532 3.511 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000451022958 877202872 /nfs/dbraw/zinc/20/28/72/877202872.db2.gz SYDSHUCYMKTCOZ-FQEVSTJZSA-N 2 1 389.975 3.769 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2CCC(C)C)CC1 ZINC001168126597 877281783 /nfs/dbraw/zinc/28/17/83/877281783.db2.gz RGUFMWSSRHCQQV-QHCPKHFHSA-N 2 1 385.596 3.976 20 0 GHADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000263278674 877288630 /nfs/dbraw/zinc/28/86/30/877288630.db2.gz TWLXTQQBUCSCAE-ICSRJNTNSA-N 2 1 397.485 3.647 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)Cc1ccccc1 ZINC000642638537 912235690 /nfs/dbraw/zinc/23/56/90/912235690.db2.gz BPUOPIHZIFJPEE-HSZRJFAPSA-N 2 1 394.563 3.645 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699036 877666091 /nfs/dbraw/zinc/66/60/91/877666091.db2.gz JMGXHMRUOPUCEO-SGKWCMOWSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699036 877666106 /nfs/dbraw/zinc/66/61/06/877666106.db2.gz JMGXHMRUOPUCEO-SGKWCMOWSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699036 877666123 /nfs/dbraw/zinc/66/61/23/877666123.db2.gz JMGXHMRUOPUCEO-SGKWCMOWSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245439538 877882328 /nfs/dbraw/zinc/88/23/28/877882328.db2.gz SYVDSNMMSKKMHD-SFTDATJTSA-N 2 1 398.595 3.546 20 0 GHADMP C[N@@H+](C[C@H](O)C1CCCCC1)[C@H]1CCC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548091 878034962 /nfs/dbraw/zinc/03/49/62/878034962.db2.gz JUSHMTFVIQEJCL-RJGXRXQPSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)C1CCCCC1)[C@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548091 878034974 /nfs/dbraw/zinc/03/49/74/878034974.db2.gz JUSHMTFVIQEJCL-RJGXRXQPSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)C1CCCCC1)[C@H]1CCC[N@@H+](C[C@@H](O)C2CCCCC2)CC1 ZINC000530548091 878034985 /nfs/dbraw/zinc/03/49/85/878034985.db2.gz JUSHMTFVIQEJCL-RJGXRXQPSA-N 2 1 380.617 3.655 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084534 878055491 /nfs/dbraw/zinc/05/54/91/878055491.db2.gz BQVMQOOOVCKCCB-RBUKOAKNSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084534 878055507 /nfs/dbraw/zinc/05/55/07/878055507.db2.gz BQVMQOOOVCKCCB-RBUKOAKNSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084534 878055520 /nfs/dbraw/zinc/05/55/20/878055520.db2.gz BQVMQOOOVCKCCB-RBUKOAKNSA-N 2 1 378.582 3.886 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3COC4(CCCCC4)O3)C2)s1 ZINC001170084534 878055535 /nfs/dbraw/zinc/05/55/35/878055535.db2.gz BQVMQOOOVCKCCB-RBUKOAKNSA-N 2 1 378.582 3.886 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176073244 878066884 /nfs/dbraw/zinc/06/68/84/878066884.db2.gz HSAAWUDPUJKIIJ-HXUWFJFHSA-N 2 1 375.532 3.559 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176073244 878066898 /nfs/dbraw/zinc/06/68/98/878066898.db2.gz HSAAWUDPUJKIIJ-HXUWFJFHSA-N 2 1 375.532 3.559 20 0 GHADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000477725229 878079271 /nfs/dbraw/zinc/07/92/71/878079271.db2.gz YOUHWVQDVNBOIT-WBADGQHESA-N 2 1 378.564 3.822 20 0 GHADMP CC[N@@H+](CCCC(=O)NCCCCC[NH+](C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC001183149510 912309790 /nfs/dbraw/zinc/30/97/90/912309790.db2.gz SSZMIYZNUAXRQH-HXUWFJFHSA-N 2 1 391.600 3.576 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085346 878099928 /nfs/dbraw/zinc/09/99/28/878099928.db2.gz HOAFAWIWNXOQCH-DYXWJJEUSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085346 878099942 /nfs/dbraw/zinc/09/99/42/878099942.db2.gz HOAFAWIWNXOQCH-DYXWJJEUSA-N 2 1 378.582 3.538 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCC[C@@]4(CCOC4)O3)C2)s1 ZINC001170085346 878099959 /nfs/dbraw/zinc/09/99/59/878099959.db2.gz HOAFAWIWNXOQCH-DYXWJJEUSA-N 2 1 378.582 3.538 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000615893828 878229519 /nfs/dbraw/zinc/22/95/19/878229519.db2.gz DCMRANVLDNZENA-JTHBVZDNSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000615893828 878229536 /nfs/dbraw/zinc/22/95/36/878229536.db2.gz DCMRANVLDNZENA-JTHBVZDNSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000615893828 878229554 /nfs/dbraw/zinc/22/95/54/878229554.db2.gz DCMRANVLDNZENA-JTHBVZDNSA-N 2 1 398.595 3.877 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000176831820 878431272 /nfs/dbraw/zinc/43/12/72/878431272.db2.gz HQMREZNWKXBYHF-SFTDATJTSA-N 2 1 388.600 3.516 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245744476 878520884 /nfs/dbraw/zinc/52/08/84/878520884.db2.gz MNHGOCBEFDROLT-ZFWWWQNUSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000245744476 878520902 /nfs/dbraw/zinc/52/09/02/878520902.db2.gz MNHGOCBEFDROLT-ZFWWWQNUSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245744476 878520916 /nfs/dbraw/zinc/52/09/16/878520916.db2.gz MNHGOCBEFDROLT-ZFWWWQNUSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000245744476 878520927 /nfs/dbraw/zinc/52/09/27/878520927.db2.gz MNHGOCBEFDROLT-ZFWWWQNUSA-N 2 1 385.346 3.771 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000177400748 878695225 /nfs/dbraw/zinc/69/52/25/878695225.db2.gz POWGSSQDFVRLRX-BGYRXZFFSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc4ccccc4c3)CC2)C[C@@H](C)O1 ZINC000538046854 878757164 /nfs/dbraw/zinc/75/71/64/878757164.db2.gz FIHGZHJNLOASGJ-WOJBJXKFSA-N 2 1 382.548 3.930 20 0 GHADMP CC(C)c1ccc(C[C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000460980453 878921734 /nfs/dbraw/zinc/92/17/34/878921734.db2.gz TZRKKXXDHAQWCK-OAQYLSRUSA-N 2 1 385.596 3.663 20 0 GHADMP CC(C)(C)[C@]1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC[NH+](Cc2ccccc2)C1 ZINC001183301490 912408445 /nfs/dbraw/zinc/40/84/45/912408445.db2.gz WHIGSIAGGUOPEG-XRVDZLCPSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC[NH+](Cc2ccccc2)C1 ZINC001183301490 912408459 /nfs/dbraw/zinc/40/84/59/912408459.db2.gz WHIGSIAGGUOPEG-XRVDZLCPSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC[N@H+](Cc2ccccc2)C1 ZINC001183301490 912408464 /nfs/dbraw/zinc/40/84/64/912408464.db2.gz WHIGSIAGGUOPEG-XRVDZLCPSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001183301490 912408479 /nfs/dbraw/zinc/40/84/79/912408479.db2.gz WHIGSIAGGUOPEG-XRVDZLCPSA-N 2 1 388.621 3.910 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000531051559 879020528 /nfs/dbraw/zinc/02/05/28/879020528.db2.gz VHNJXXYMNGRLOL-LPHOPBHVSA-N 2 1 399.501 3.935 20 0 GHADMP Cc1cc(C)cc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000531165480 879247097 /nfs/dbraw/zinc/24/70/97/879247097.db2.gz RGWLKFWGTLRLJG-UHFFFAOYSA-N 2 1 393.575 3.764 20 0 GHADMP C[C@H]1CCCC[C@@H]1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000531188915 879277865 /nfs/dbraw/zinc/27/78/65/879277865.db2.gz HJFPVCHAVSIZPV-PZJWPPBQSA-N 2 1 377.617 3.858 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000776693665 879320499 /nfs/dbraw/zinc/32/04/99/879320499.db2.gz KUBGMBZRYKNMFX-SIKLNZKXSA-N 2 1 387.568 3.744 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000776693665 879320509 /nfs/dbraw/zinc/32/05/09/879320509.db2.gz KUBGMBZRYKNMFX-SIKLNZKXSA-N 2 1 387.568 3.744 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000643081360 912452028 /nfs/dbraw/zinc/45/20/28/912452028.db2.gz PRJWODNJOXRZNP-UZLBHIALSA-N 2 1 393.503 3.807 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000246339342 879423568 /nfs/dbraw/zinc/42/35/68/879423568.db2.gz ISZDQHSYACMODD-YPAWHYETSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246339342 879423580 /nfs/dbraw/zinc/42/35/80/879423580.db2.gz ISZDQHSYACMODD-YPAWHYETSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246339342 879423585 /nfs/dbraw/zinc/42/35/85/879423585.db2.gz ISZDQHSYACMODD-YPAWHYETSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000538407717 879443736 /nfs/dbraw/zinc/44/37/36/879443736.db2.gz KRHNTGMMZUXDSA-LBPRGKRZSA-N 2 1 389.849 3.927 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000246407593 879523216 /nfs/dbraw/zinc/52/32/16/879523216.db2.gz UNFJIJCHLYGUOJ-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000246407593 879523222 /nfs/dbraw/zinc/52/32/22/879523222.db2.gz UNFJIJCHLYGUOJ-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246407593 879523235 /nfs/dbraw/zinc/52/32/35/879523235.db2.gz UNFJIJCHLYGUOJ-WOIUINJBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(I)ccc2Cl)CCC[C@@H]1C[NH3+] ZINC001206037564 879532065 /nfs/dbraw/zinc/53/20/65/879532065.db2.gz WRBQVIRGCMLCLR-NWDGAFQWSA-N 2 1 392.712 3.751 20 0 GHADMP C[C@@H]([N@@H+](Cc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C(C)(C)C ZINC000790386001 879657730 /nfs/dbraw/zinc/65/77/30/879657730.db2.gz OWPNIUUSYKPRBS-JPYJTQIMSA-N 2 1 385.552 3.797 20 0 GHADMP C[C@@H]([N@H+](Cc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C(C)(C)C ZINC000790386001 879657736 /nfs/dbraw/zinc/65/77/36/879657736.db2.gz OWPNIUUSYKPRBS-JPYJTQIMSA-N 2 1 385.552 3.797 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)CC[C@H]21 ZINC000246579298 879698426 /nfs/dbraw/zinc/69/84/26/879698426.db2.gz CEVARPCYZWCQBL-XZOQPEGZSA-N 2 1 398.595 3.688 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246580473 879698891 /nfs/dbraw/zinc/69/88/91/879698891.db2.gz ZHWJHFTVVTXKGZ-VIZSFHNOSA-N 2 1 399.554 3.513 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246580473 879698902 /nfs/dbraw/zinc/69/89/02/879698902.db2.gz ZHWJHFTVVTXKGZ-VIZSFHNOSA-N 2 1 399.554 3.513 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246580473 879698912 /nfs/dbraw/zinc/69/89/12/879698912.db2.gz ZHWJHFTVVTXKGZ-VIZSFHNOSA-N 2 1 399.554 3.513 20 0 GHADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000493890091 879703805 /nfs/dbraw/zinc/70/38/05/879703805.db2.gz ANBBDXVPSWVJPX-QDSKXPNFSA-N 2 1 381.564 3.731 20 0 GHADMP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CCCC1 ZINC000465398054 879842474 /nfs/dbraw/zinc/84/24/74/879842474.db2.gz AWRBLZQKKYTTEX-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CCCC1 ZINC000465398054 879842479 /nfs/dbraw/zinc/84/24/79/879842479.db2.gz AWRBLZQKKYTTEX-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC[C@H]21 ZINC000246959654 879864432 /nfs/dbraw/zinc/86/44/32/879864432.db2.gz OCSYCLAQOCZQBF-DHIUTWEWSA-N 2 1 398.595 3.688 20 0 GHADMP COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000247028538 879891753 /nfs/dbraw/zinc/89/17/53/879891753.db2.gz MARXXVNIFZSZCM-WOJBJXKFSA-N 2 1 398.547 3.783 20 0 GHADMP COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000247028538 879891762 /nfs/dbraw/zinc/89/17/62/879891762.db2.gz MARXXVNIFZSZCM-WOJBJXKFSA-N 2 1 398.547 3.783 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000247080113 879911446 /nfs/dbraw/zinc/91/14/46/879911446.db2.gz OUFGDYIEBJCNIK-MSOLQXFVSA-N 2 1 381.586 3.611 20 0 GHADMP C[C@H](CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000247150394 879932078 /nfs/dbraw/zinc/93/20/78/879932078.db2.gz RMJUSDNPWNFIKY-PQNGQFLHSA-N 2 1 380.580 3.792 20 0 GHADMP Cc1cnc2c(N(CC[NH3+])c3cn4cc[nH+]c4cc3C)nc3ccc(C)cc3n12 ZINC001170148902 880212269 /nfs/dbraw/zinc/21/22/69/880212269.db2.gz JNHNZLANGYQZLD-UHFFFAOYSA-N 2 1 385.475 3.552 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000643207370 912550527 /nfs/dbraw/zinc/55/05/27/912550527.db2.gz PHFCNBXFOBQGJM-GOTSBHOMSA-N 2 1 392.547 3.522 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000643207370 912550542 /nfs/dbraw/zinc/55/05/42/912550542.db2.gz PHFCNBXFOBQGJM-GOTSBHOMSA-N 2 1 392.547 3.522 20 0 GHADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531715761 880321930 /nfs/dbraw/zinc/32/19/30/880321930.db2.gz UAJXDLSVQIVECM-LQNXUBFPSA-N 2 1 395.522 3.546 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc(-c2ccccc2)n1C ZINC000453055871 880406423 /nfs/dbraw/zinc/40/64/23/880406423.db2.gz BGYPMGWZJFCSJR-SFHVURJKSA-N 2 1 378.520 3.878 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000855345930 880470482 /nfs/dbraw/zinc/47/04/82/880470482.db2.gz KTKRFINYWNGNKL-INIZCTEOSA-N 2 1 395.638 3.557 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C2SCCCS2)cc1 ZINC000855345930 880470491 /nfs/dbraw/zinc/47/04/91/880470491.db2.gz KTKRFINYWNGNKL-INIZCTEOSA-N 2 1 395.638 3.557 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOCC3CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453111642 880481607 /nfs/dbraw/zinc/48/16/07/880481607.db2.gz CJHADXCOXWEFHT-KMDXXIMOSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)nn1C ZINC000453197629 880603319 /nfs/dbraw/zinc/60/33/19/880603319.db2.gz NZPCFBIROWEZIO-AVRDEDQJSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185505598 880603355 /nfs/dbraw/zinc/60/33/55/880603355.db2.gz JPTGHMKGMSETQR-LPOKXYRGSA-N 2 1 375.523 3.846 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1)N1CCCC1 ZINC000453207698 880619799 /nfs/dbraw/zinc/61/97/99/880619799.db2.gz GPYWKVJMVJPCDV-KEJFTWOCSA-N 2 1 395.591 3.810 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(C)c1OC ZINC000286186112 912612789 /nfs/dbraw/zinc/61/27/89/912612789.db2.gz RAHVWTNRTVXLMJ-HNNXBMFYSA-N 2 1 398.551 3.609 20 0 GHADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000186751313 880976172 /nfs/dbraw/zinc/97/61/72/880976172.db2.gz CHUXAHFOVLUYAW-SFHVURJKSA-N 2 1 390.597 3.621 20 0 GHADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000187125908 881076927 /nfs/dbraw/zinc/07/69/27/881076927.db2.gz MVOGACDBFXEWLI-INIZCTEOSA-N 2 1 386.989 3.735 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1)C1CC1 ZINC000453592349 881112622 /nfs/dbraw/zinc/11/26/22/881112622.db2.gz DVYULDTUYJHPLD-UHFFFAOYSA-N 2 1 377.330 3.803 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286281906 912666262 /nfs/dbraw/zinc/66/62/62/912666262.db2.gz VUOAVZSYQKCVCJ-ZWOKBUDYSA-N 2 1 379.504 3.721 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286281906 912666270 /nfs/dbraw/zinc/66/62/70/912666270.db2.gz VUOAVZSYQKCVCJ-ZWOKBUDYSA-N 2 1 379.504 3.721 20 0 GHADMP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1cn(-c2ccccc2)nn1 ZINC000181338382 883139462 /nfs/dbraw/zinc/13/94/62/883139462.db2.gz WJKXJDHNVCRITO-ROUUACIJSA-N 2 1 379.508 3.620 20 0 GHADMP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858492522 883144603 /nfs/dbraw/zinc/14/46/03/883144603.db2.gz YGGBWDLOLZUNSC-MOPGFXCFSA-N 2 1 385.552 3.553 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000195137419 883191450 /nfs/dbraw/zinc/19/14/50/883191450.db2.gz JSEBOSDUIUPBRZ-TZIWHRDSSA-N 2 1 377.532 3.986 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000476822823 883215524 /nfs/dbraw/zinc/21/55/24/883215524.db2.gz UNMIQRLALAJENE-FESBUIRDSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476822823 883215541 /nfs/dbraw/zinc/21/55/41/883215541.db2.gz UNMIQRLALAJENE-FESBUIRDSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000476822823 883215558 /nfs/dbraw/zinc/21/55/58/883215558.db2.gz UNMIQRLALAJENE-FESBUIRDSA-N 2 1 398.595 3.602 20 0 GHADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000564331668 883256014 /nfs/dbraw/zinc/25/60/14/883256014.db2.gz HSEBNNWDBVINMH-MRXNPFEDSA-N 2 1 396.510 3.917 20 0 GHADMP C[NH+](C)CCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670093696 883494700 /nfs/dbraw/zinc/49/47/00/883494700.db2.gz PCZRVGVOLPQTAK-QZNYNHHHSA-N 2 1 392.975 3.505 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000476978801 883518014 /nfs/dbraw/zinc/51/80/14/883518014.db2.gz CPTVWLPQDNGBFP-OALUTQOASA-N 2 1 389.559 3.979 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000476988701 883523349 /nfs/dbraw/zinc/52/33/49/883523349.db2.gz TWZCYEUUQCYBKI-PZJWPPBQSA-N 2 1 399.579 3.884 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000476985619 883542690 /nfs/dbraw/zinc/54/26/90/883542690.db2.gz OFGSLQNROULGDK-FQEVSTJZSA-N 2 1 396.579 3.600 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000476985619 883542708 /nfs/dbraw/zinc/54/27/08/883542708.db2.gz OFGSLQNROULGDK-FQEVSTJZSA-N 2 1 396.579 3.600 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001183685326 912728165 /nfs/dbraw/zinc/72/81/65/912728165.db2.gz LLYNWBFDRDEIGL-OAQYLSRUSA-N 2 1 379.589 3.974 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141624 883614858 /nfs/dbraw/zinc/61/48/58/883614858.db2.gz JRUUKTLHRVQXNZ-OALUTQOASA-N 2 1 379.589 3.830 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141624 883614861 /nfs/dbraw/zinc/61/48/61/883614861.db2.gz JRUUKTLHRVQXNZ-OALUTQOASA-N 2 1 379.589 3.830 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141624 883614864 /nfs/dbraw/zinc/61/48/64/883614864.db2.gz JRUUKTLHRVQXNZ-OALUTQOASA-N 2 1 379.589 3.830 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141626 883614879 /nfs/dbraw/zinc/61/48/79/883614879.db2.gz JRUUKTLHRVQXNZ-RBUKOAKNSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141626 883614881 /nfs/dbraw/zinc/61/48/81/883614881.db2.gz JRUUKTLHRVQXNZ-RBUKOAKNSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859141626 883614884 /nfs/dbraw/zinc/61/48/84/883614884.db2.gz JRUUKTLHRVQXNZ-RBUKOAKNSA-N 2 1 379.589 3.830 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859212802 883665759 /nfs/dbraw/zinc/66/57/59/883665759.db2.gz AEHASRKKFSLODU-UHFFFAOYSA-N 2 1 385.577 3.561 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859212802 883665762 /nfs/dbraw/zinc/66/57/62/883665762.db2.gz AEHASRKKFSLODU-UHFFFAOYSA-N 2 1 385.577 3.561 20 0 GHADMP CCC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000551386788 883780150 /nfs/dbraw/zinc/78/01/50/883780150.db2.gz DCSAIPQLADLBFG-MYDTUXCISA-N 2 1 386.580 3.803 20 0 GHADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000130094804 884166383 /nfs/dbraw/zinc/16/63/83/884166383.db2.gz HULWFPBQZGOMQW-LJQANCHMSA-N 2 1 380.536 3.874 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000487540899 884276366 /nfs/dbraw/zinc/27/63/66/884276366.db2.gz PGGOQDSZKDPPDW-UGKGYDQZSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+](C)CCOc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)ccn1 ZINC000556264839 884284006 /nfs/dbraw/zinc/28/40/06/884284006.db2.gz WIPPRUJHVROUGF-UHFFFAOYSA-N 3 1 396.579 3.555 20 0 GHADMP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192918599 884299432 /nfs/dbraw/zinc/29/94/32/884299432.db2.gz HGXBNBLEEUGFAE-QUCCMNQESA-N 2 1 381.520 3.524 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000806157529 884414197 /nfs/dbraw/zinc/41/41/97/884414197.db2.gz GVHRSXCOLSPHGE-WAPOTWQKSA-N 2 1 382.470 3.987 20 0 GHADMP O[C@]1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000495039617 884418622 /nfs/dbraw/zinc/41/86/22/884418622.db2.gz CRWCWMUWFGEPMM-OYDLWJJNSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000495039617 884418627 /nfs/dbraw/zinc/41/86/27/884418627.db2.gz CRWCWMUWFGEPMM-OYDLWJJNSA-N 2 1 398.522 3.520 20 0 GHADMP CC1(C)NC(=O)CC[C@H]1[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000495059208 884465213 /nfs/dbraw/zinc/46/52/13/884465213.db2.gz MPNUXVRAWKYPLA-JOCHJYFZSA-N 2 1 379.548 3.726 20 0 GHADMP Cc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(F)cc1F ZINC001211914450 884837533 /nfs/dbraw/zinc/83/75/33/884837533.db2.gz AXUWRKDNSGHBHO-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1cc(-c2noc([C@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c(F)cc1F ZINC001211914450 884837538 /nfs/dbraw/zinc/83/75/38/884837538.db2.gz AXUWRKDNSGHBHO-QGZVFWFLSA-N 2 1 396.441 3.512 20 0 GHADMP CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478232 885077191 /nfs/dbraw/zinc/07/71/91/885077191.db2.gz QJWBMVUSTHUOAT-YLJYHZDGSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478232 885077197 /nfs/dbraw/zinc/07/71/97/885077197.db2.gz QJWBMVUSTHUOAT-YLJYHZDGSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478232 885077211 /nfs/dbraw/zinc/07/72/11/885077211.db2.gz QJWBMVUSTHUOAT-YLJYHZDGSA-N 2 1 392.975 3.506 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000495433369 885756638 /nfs/dbraw/zinc/75/66/38/885756638.db2.gz NSNPLOOFDKMRDM-LVCYWYKZSA-N 2 1 377.536 3.907 20 0 GHADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000532526651 885892613 /nfs/dbraw/zinc/89/26/13/885892613.db2.gz ZKXXLCMESSQONB-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C[NH+](Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000532526651 885892620 /nfs/dbraw/zinc/89/26/20/885892620.db2.gz ZKXXLCMESSQONB-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H](Cc1cccc(F)c1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001168489067 886034406 /nfs/dbraw/zinc/03/44/06/886034406.db2.gz VUVKRPQSOAJWCQ-XXBNENTESA-N 2 1 397.538 3.907 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000287017187 913034917 /nfs/dbraw/zinc/03/49/17/913034917.db2.gz ICXHHVIRXZKUBC-ZYGDZFMBSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000287017187 913034932 /nfs/dbraw/zinc/03/49/32/913034932.db2.gz ICXHHVIRXZKUBC-ZYGDZFMBSA-N 2 1 398.595 3.685 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000287017187 913034942 /nfs/dbraw/zinc/03/49/42/913034942.db2.gz ICXHHVIRXZKUBC-ZYGDZFMBSA-N 2 1 398.595 3.685 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)cc1F ZINC000556871687 886427033 /nfs/dbraw/zinc/42/70/33/886427033.db2.gz LSFZVBTVEQMKKQ-ZDUSSCGKSA-N 2 1 380.423 3.502 20 0 GHADMP Cc1nn2c(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c(C)nc2s1 ZINC000556882673 886484694 /nfs/dbraw/zinc/48/46/94/886484694.db2.gz BRFNOWUJVLLBLP-UHFFFAOYSA-N 2 1 395.576 3.896 20 0 GHADMP Cc1nn2c(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c(C)nc2s1 ZINC000556882673 886484698 /nfs/dbraw/zinc/48/46/98/886484698.db2.gz BRFNOWUJVLLBLP-UHFFFAOYSA-N 2 1 395.576 3.896 20 0 GHADMP C[NH+](C)C1CCC([N@@H+]2C[C@H](C(F)(F)F)C[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001168327560 886650883 /nfs/dbraw/zinc/65/08/83/886650883.db2.gz OQXXFHYFZWTHSO-QVOMUQBLSA-N 2 1 393.494 3.637 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000124211765 886718759 /nfs/dbraw/zinc/71/87/59/886718759.db2.gz LRMJYDUSFNJVKZ-UHFFFAOYSA-N 2 1 380.573 3.512 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000237093391 886911529 /nfs/dbraw/zinc/91/15/29/886911529.db2.gz KTKLTONAMGRVAK-UHFFFAOYSA-N 2 1 393.373 3.929 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000237140896 886915467 /nfs/dbraw/zinc/91/54/67/886915467.db2.gz MQQRKRIZFAZAHI-HNNXBMFYSA-N 2 1 381.948 3.920 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000762925084 887108427 /nfs/dbraw/zinc/10/84/27/887108427.db2.gz CDCCKZHDQIHIGL-RTBURBONSA-N 2 1 376.545 3.836 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000762925084 887108433 /nfs/dbraw/zinc/10/84/33/887108433.db2.gz CDCCKZHDQIHIGL-RTBURBONSA-N 2 1 376.545 3.836 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(OCc2ccccc2F)cc1)C1CC[NH+](C)CC1 ZINC000809734226 887716790 /nfs/dbraw/zinc/71/67/90/887716790.db2.gz BJODLZCQXPURKB-UHFFFAOYSA-N 2 1 399.554 3.863 20 0 GHADMP [NH3+]CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC001184404225 913188986 /nfs/dbraw/zinc/18/89/86/913188986.db2.gz GJNTZOIVZULVTH-QGZVFWFLSA-N 2 1 389.902 3.683 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952069 888018709 /nfs/dbraw/zinc/01/87/09/888018709.db2.gz OUZRCIFBRNNHDV-UFYCRDLUSA-N 2 1 381.605 3.981 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952069 888018718 /nfs/dbraw/zinc/01/87/18/888018718.db2.gz OUZRCIFBRNNHDV-UFYCRDLUSA-N 2 1 381.605 3.981 20 0 GHADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809952069 888018731 /nfs/dbraw/zinc/01/87/31/888018731.db2.gz OUZRCIFBRNNHDV-UFYCRDLUSA-N 2 1 381.605 3.981 20 0 GHADMP Cc1c(Br)cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)cc1Br ZINC001235842329 888085848 /nfs/dbraw/zinc/08/58/48/888085848.db2.gz NXWZKDHWISEVTD-LLVKDONJSA-N 2 1 376.136 3.561 20 0 GHADMP Cc1c(Br)cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)cc1Br ZINC001235842329 888085861 /nfs/dbraw/zinc/08/58/61/888085861.db2.gz NXWZKDHWISEVTD-LLVKDONJSA-N 2 1 376.136 3.561 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810084762 888136421 /nfs/dbraw/zinc/13/64/21/888136421.db2.gz FBQUXGVVTZQEIV-HXUWFJFHSA-N 2 1 390.572 3.941 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000648904831 888240165 /nfs/dbraw/zinc/24/01/65/888240165.db2.gz VRSDMRHKACUEFF-PXNSSMCTSA-N 2 1 386.540 3.603 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000120579384 888376066 /nfs/dbraw/zinc/37/60/66/888376066.db2.gz LJIHVPZREGRDIN-RTBURBONSA-N 2 1 398.547 3.924 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Br)nn3C)cc2)C1 ZINC000785417132 888597448 /nfs/dbraw/zinc/59/74/48/888597448.db2.gz AUBBERBKLAEGFP-OAHLLOKOSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000195136917 888650144 /nfs/dbraw/zinc/65/01/44/888650144.db2.gz CICMVHKLLICKAB-QUCCMNQESA-N 2 1 379.504 3.816 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCC1 ZINC000454351803 888895408 /nfs/dbraw/zinc/89/54/08/888895408.db2.gz GHJBCSAEYQJVES-UHFFFAOYSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532764874 888908568 /nfs/dbraw/zinc/90/85/68/888908568.db2.gz ZDMWNFBVYDBKQN-HSALFYBXSA-N 2 1 397.563 3.838 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000454414166 888999548 /nfs/dbraw/zinc/99/95/48/888999548.db2.gz ODQLZACWVLJVRV-IBGZPJMESA-N 2 1 392.613 3.525 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000287385506 913304743 /nfs/dbraw/zinc/30/47/43/913304743.db2.gz ILUUMLWLJOSICI-MOUTVQLLSA-N 2 1 383.580 3.525 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000644531945 913345908 /nfs/dbraw/zinc/34/59/08/913345908.db2.gz VWKHJEHTRSDQKO-SFHVURJKSA-N 2 1 379.504 3.881 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988661 889472194 /nfs/dbraw/zinc/47/21/94/889472194.db2.gz SIZZFOLRAQBDGT-YOEHRIQHSA-N 2 1 382.346 3.582 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988661 889472199 /nfs/dbraw/zinc/47/21/99/889472199.db2.gz SIZZFOLRAQBDGT-YOEHRIQHSA-N 2 1 382.346 3.582 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000532988661 889472204 /nfs/dbraw/zinc/47/22/04/889472204.db2.gz SIZZFOLRAQBDGT-YOEHRIQHSA-N 2 1 382.346 3.582 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000124729758 889739509 /nfs/dbraw/zinc/73/95/09/889739509.db2.gz FXJCEKZPARIYHF-GGAORHGYSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124729758 889739517 /nfs/dbraw/zinc/73/95/17/889739517.db2.gz FXJCEKZPARIYHF-GGAORHGYSA-N 2 1 398.595 3.685 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000124729758 889739526 /nfs/dbraw/zinc/73/95/26/889739526.db2.gz FXJCEKZPARIYHF-GGAORHGYSA-N 2 1 398.595 3.685 20 0 GHADMP Cc1[nH+]ccn1-c1cncc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)n1 ZINC001170644455 889988729 /nfs/dbraw/zinc/98/87/29/889988729.db2.gz OCBUOMGDHBZWIO-NSKBAKJYSA-N 2 1 388.519 3.603 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000870123035 890222465 /nfs/dbraw/zinc/22/24/65/890222465.db2.gz BWABVUFOYZNZJW-FQEVSTJZSA-N 2 1 392.547 3.512 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000644651434 913430153 /nfs/dbraw/zinc/43/01/53/913430153.db2.gz JOEWANPPNCMREE-GOTSBHOMSA-N 2 1 382.548 3.627 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000533307098 890259933 /nfs/dbraw/zinc/25/99/33/890259933.db2.gz RSJXKBASHRRUKS-MRXNPFEDSA-N 2 1 388.508 3.686 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000455114024 890367080 /nfs/dbraw/zinc/36/70/80/890367080.db2.gz KYOMZPKRUXWECO-NRFANRHFSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1F ZINC000126720886 890664029 /nfs/dbraw/zinc/66/40/29/890664029.db2.gz RWIRBTPELCHMRE-AWEZNQCLSA-N 2 1 386.353 3.512 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000126929143 890821531 /nfs/dbraw/zinc/82/15/31/890821531.db2.gz KZTJYJJRYHDPIQ-OALUTQOASA-N 2 1 392.613 3.696 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124949 890863725 /nfs/dbraw/zinc/86/37/25/890863725.db2.gz WOTAAEFCHLCFKV-KDOFPFPSSA-N 2 1 395.425 3.570 20 0 GHADMP CC[C@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000872036900 891128964 /nfs/dbraw/zinc/12/89/64/891128964.db2.gz WOWAMUAUGVPWIT-QZTJIDSGSA-N 2 1 385.474 3.595 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000246499576 891276794 /nfs/dbraw/zinc/27/67/94/891276794.db2.gz SJHVJFYQRAUDQQ-KNKQGSTJSA-N 2 1 386.584 3.584 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C[N@H+]4CCCC[C@H]4C)C3)CC2)[nH+]c1 ZINC000247069672 891342679 /nfs/dbraw/zinc/34/26/79/891342679.db2.gz UUAXUYYMNYNYBS-RTWAWAEBSA-N 2 1 398.595 3.719 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)CC2)[nH+]c1 ZINC000247069672 891342690 /nfs/dbraw/zinc/34/26/90/891342690.db2.gz UUAXUYYMNYNYBS-RTWAWAEBSA-N 2 1 398.595 3.719 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000128192452 891470110 /nfs/dbraw/zinc/47/01/10/891470110.db2.gz MFGNTLQMFBZFJJ-UHFFFAOYSA-N 2 1 381.568 3.551 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1)c1ccccc1 ZINC000497440170 891635213 /nfs/dbraw/zinc/63/52/13/891635213.db2.gz MQXCXDKBDUVPFE-VMSMKEMKSA-N 2 1 398.595 3.917 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1(C(=O)OC)CCC1 ZINC000497526798 891792776 /nfs/dbraw/zinc/79/27/76/891792776.db2.gz YLXCUHIZMVMXFN-UEXGIBASSA-N 2 1 388.552 3.507 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000497557689 891858936 /nfs/dbraw/zinc/85/89/36/891858936.db2.gz DJIIKLGMOMEALN-CVDCTZTESA-N 2 1 398.595 3.603 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162141648 892054571 /nfs/dbraw/zinc/05/45/71/892054571.db2.gz FJGVDKODFSILLQ-ZJSXRUAMSA-N 2 1 387.612 3.686 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnn(C(C)C)c4)CC3)C2)cc1 ZINC001137078020 892071151 /nfs/dbraw/zinc/07/11/51/892071151.db2.gz UDDAGYFUQIODES-UHFFFAOYSA-N 2 1 382.552 3.639 20 0 GHADMP CCn1ccnc1C[N@H+](CCSCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261813303 892128275 /nfs/dbraw/zinc/12/82/75/892128275.db2.gz HUJDIZQIDFNDKD-HXUWFJFHSA-N 2 1 384.593 3.781 20 0 GHADMP CCn1ccnc1C[N@@H+](CCSCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261813303 892128287 /nfs/dbraw/zinc/12/82/87/892128287.db2.gz HUJDIZQIDFNDKD-HXUWFJFHSA-N 2 1 384.593 3.781 20 0 GHADMP Cc1ccc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c(C[NH+](C)C)c1 ZINC001170718463 892135034 /nfs/dbraw/zinc/13/50/34/892135034.db2.gz HRBOOJCZIXGAPV-YHBQERECSA-N 2 1 384.612 3.807 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000508695720 892657700 /nfs/dbraw/zinc/65/77/00/892657700.db2.gz GBIRIYOVQZOLIT-BVSLBCMMSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000508709213 892801271 /nfs/dbraw/zinc/80/12/71/892801271.db2.gz GQOPFFKNXBISKH-AWRGLXIESA-N 2 1 377.576 3.933 20 0 GHADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cn2cc[nH+]c12 ZINC000455654216 892882950 /nfs/dbraw/zinc/88/29/50/892882950.db2.gz IKHROSUFUKGVJX-UHFFFAOYSA-N 2 1 387.434 3.517 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508721004 892973345 /nfs/dbraw/zinc/97/33/45/892973345.db2.gz OGQCKBYFYAERCM-BWKNWUBXSA-N 2 1 393.575 3.519 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](C)c3ccccc3C)cc2)CC1 ZINC000918024152 892990836 /nfs/dbraw/zinc/99/08/36/892990836.db2.gz XAGNWQKZDXHIRU-HXUWFJFHSA-N 2 1 394.563 3.768 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000918121772 893198771 /nfs/dbraw/zinc/19/87/71/893198771.db2.gz MZWCNMDWYHGUGB-PMACEKPBSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000918121773 893199072 /nfs/dbraw/zinc/19/90/72/893199072.db2.gz MZWCNMDWYHGUGB-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000288452986 913772043 /nfs/dbraw/zinc/77/20/43/913772043.db2.gz DCTNKQSKIRLMHB-UHFFFAOYSA-N 2 1 382.533 3.825 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815145862 893517960 /nfs/dbraw/zinc/51/79/60/893517960.db2.gz GZDUORQNKOHAJC-WOIUINJBSA-N 2 1 379.589 3.735 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815145862 893517966 /nfs/dbraw/zinc/51/79/66/893517966.db2.gz GZDUORQNKOHAJC-WOIUINJBSA-N 2 1 379.589 3.735 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CC[C@H](CNC(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815145862 893517983 /nfs/dbraw/zinc/51/79/83/893517983.db2.gz GZDUORQNKOHAJC-WOIUINJBSA-N 2 1 379.589 3.735 20 0 GHADMP Clc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000815149585 893522872 /nfs/dbraw/zinc/52/28/72/893522872.db2.gz RWWJTAWUOFEJSY-HXUWFJFHSA-N 2 1 385.939 3.753 20 0 GHADMP O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000877405213 893593296 /nfs/dbraw/zinc/59/32/96/893593296.db2.gz FIKPTXHWEYNZOP-TZIWHRDSSA-N 2 1 398.595 3.922 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643973 893675931 /nfs/dbraw/zinc/67/59/31/893675931.db2.gz BSHXBKAEEXXWSP-QMMLZNLJSA-N 2 1 388.939 3.722 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379643973 893675942 /nfs/dbraw/zinc/67/59/42/893675942.db2.gz BSHXBKAEEXXWSP-QMMLZNLJSA-N 2 1 388.939 3.722 20 0 GHADMP FCCn1ncnc1C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459518650 893688728 /nfs/dbraw/zinc/68/87/28/893688728.db2.gz GJBBZNMAJBWHTM-JOCHJYFZSA-N 2 1 399.558 3.904 20 0 GHADMP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000563417535 893712379 /nfs/dbraw/zinc/71/23/79/893712379.db2.gz MSBZPMLLYPETRV-SIKLNZKXSA-N 2 1 395.547 3.670 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000126678201 893775061 /nfs/dbraw/zinc/77/50/61/893775061.db2.gz YHRXNDNWQAOMLH-HSZRJFAPSA-N 2 1 379.548 3.610 20 0 GHADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536834911 893907903 /nfs/dbraw/zinc/90/79/03/893907903.db2.gz SQEXOADWBQEOAA-PKOBYXMFSA-N 2 1 381.923 3.603 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000563621663 893983096 /nfs/dbraw/zinc/98/30/96/893983096.db2.gz AUSLGEUKYXIDIV-MMKMLUHNSA-N 2 1 379.548 3.727 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3O)o2)CC1 ZINC000878196393 894084736 /nfs/dbraw/zinc/08/47/36/894084736.db2.gz ZTOVVODFTFLAKP-QGZVFWFLSA-N 2 1 384.524 3.919 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nnc(-c3ccccc3O)o2)CC1 ZINC000878196393 894084744 /nfs/dbraw/zinc/08/47/44/894084744.db2.gz ZTOVVODFTFLAKP-QGZVFWFLSA-N 2 1 384.524 3.919 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196630 894085009 /nfs/dbraw/zinc/08/50/09/894085009.db2.gz HHPFNJDDUZGJSZ-XPWALMASSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196630 894085025 /nfs/dbraw/zinc/08/50/25/894085025.db2.gz HHPFNJDDUZGJSZ-XPWALMASSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196630 894085044 /nfs/dbraw/zinc/08/50/44/894085044.db2.gz HHPFNJDDUZGJSZ-XPWALMASSA-N 2 1 384.564 3.701 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000536959423 894140522 /nfs/dbraw/zinc/14/05/22/894140522.db2.gz MAEWUDNFPQVGBZ-JOCHJYFZSA-N 2 1 395.503 3.853 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1)CC(C)C ZINC000536970250 894150380 /nfs/dbraw/zinc/15/03/80/894150380.db2.gz XRDFZAYOPLXQSZ-UHFFFAOYSA-N 2 1 392.632 3.650 20 0 GHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)Nc1cc(F)cc(F)c1 ZINC000563782876 894186304 /nfs/dbraw/zinc/18/63/04/894186304.db2.gz PCNZHSPHOFZKRK-MOPGFXCFSA-N 2 1 399.485 3.747 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc(OC)c1OC ZINC000563810744 894215530 /nfs/dbraw/zinc/21/55/30/894215530.db2.gz UMQDPGAMRVOILV-FQEVSTJZSA-N 2 1 396.531 3.999 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc(OC)c1OC ZINC000563810744 894215539 /nfs/dbraw/zinc/21/55/39/894215539.db2.gz UMQDPGAMRVOILV-FQEVSTJZSA-N 2 1 396.531 3.999 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001135296571 894335015 /nfs/dbraw/zinc/33/50/15/894335015.db2.gz YAMYFUBBRKOREO-MOPGFXCFSA-N 2 1 377.598 3.758 20 0 GHADMP O=c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000564454431 895002632 /nfs/dbraw/zinc/00/26/32/895002632.db2.gz SNURNOYOBFTPBO-DLBZAZTESA-N 2 1 394.544 3.885 20 0 GHADMP O=c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[nH]c2sc(-c3ccccc3)cc21 ZINC000564454431 895002649 /nfs/dbraw/zinc/00/26/49/895002649.db2.gz SNURNOYOBFTPBO-DLBZAZTESA-N 2 1 394.544 3.885 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000816842060 895103869 /nfs/dbraw/zinc/10/38/69/895103869.db2.gz BHHONXTUEKXUJY-UHFFFAOYSA-N 2 1 378.520 3.849 20 0 GHADMP CCN(CC)c1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000816843961 895148447 /nfs/dbraw/zinc/14/84/47/895148447.db2.gz JLDXDVLSJHRMSJ-UHFFFAOYSA-N 2 1 386.584 3.668 20 0 GHADMP CCOC(=O)c1sc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)nc1C ZINC000879679390 895225618 /nfs/dbraw/zinc/22/56/18/895225618.db2.gz LYSUUAQKJCCULZ-UHFFFAOYSA-N 2 1 390.553 3.793 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)CC[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000564838595 895276138 /nfs/dbraw/zinc/27/61/38/895276138.db2.gz PWMVYIZUEXSEQL-LSWJPFSZSA-N 2 1 379.548 3.884 20 0 GHADMP COc1ccc(COCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000564958670 895326003 /nfs/dbraw/zinc/32/60/03/895326003.db2.gz IVBUBHYQDJBZGF-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP COc1ccc(COCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000564958670 895326024 /nfs/dbraw/zinc/32/60/24/895326024.db2.gz IVBUBHYQDJBZGF-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000566229949 896192157 /nfs/dbraw/zinc/19/21/57/896192157.db2.gz VQALEFIAVWHTHN-TZIWHRDSSA-N 2 1 387.531 3.756 20 0 GHADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000566244106 896196412 /nfs/dbraw/zinc/19/64/12/896196412.db2.gz AFCBVERKZIUMGY-HJKBJPMPSA-N 2 1 383.561 3.559 20 0 GHADMP C[C@]1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000566319297 896234129 /nfs/dbraw/zinc/23/41/29/896234129.db2.gz BMEQSRFPENPJAD-VWLOTQADSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818959655 896295735 /nfs/dbraw/zinc/29/57/35/896295735.db2.gz PVSZBROWRAWQNA-KSSFIOAISA-N 2 1 387.337 3.723 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000819015809 896349394 /nfs/dbraw/zinc/34/93/94/896349394.db2.gz PXUXYRHDFCDSPK-UTKZUKDTSA-N 2 1 376.903 3.667 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000289183162 914075266 /nfs/dbraw/zinc/07/52/66/914075266.db2.gz ILLABJZGJUDBKG-FDDCHVKYSA-N 2 1 393.531 3.686 20 0 GHADMP Cc1ccc(OC[C@H](O)CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000819445761 896681191 /nfs/dbraw/zinc/68/11/91/896681191.db2.gz VFEHKOBARWMWCJ-HSZRJFAPSA-N 2 1 397.563 3.625 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)o1 ZINC000882389596 896781633 /nfs/dbraw/zinc/78/16/33/896781633.db2.gz ICQLBUDKGODAIC-FQEVSTJZSA-N 2 1 396.535 3.658 20 0 GHADMP C[C@H]1COCCN1CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939835 897019376 /nfs/dbraw/zinc/01/93/76/897019376.db2.gz XZAPVMHIVDVRBP-DHLKQENFSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000796284603 914135372 /nfs/dbraw/zinc/13/53/72/914135372.db2.gz XOSKKCAORSTUNO-VCWRXUFXSA-N 2 1 397.604 3.549 20 0 GHADMP Fc1ccc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CCOCC2)cc1 ZINC000883166634 897334001 /nfs/dbraw/zinc/33/40/01/897334001.db2.gz FOODOGYZPJINFP-DEOSSOPVSA-N 2 1 398.522 3.915 20 0 GHADMP Fc1ccc([C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CCOCC2)cc1 ZINC000883185698 897348310 /nfs/dbraw/zinc/34/83/10/897348310.db2.gz BYUDWVUSYSRKTQ-OAQYLSRUSA-N 2 1 376.516 3.528 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)CC[NH2+]2)cc1 ZINC000567710228 897350855 /nfs/dbraw/zinc/35/08/55/897350855.db2.gz WWAVCWWPWBBPPV-SFTDATJTSA-N 2 1 394.515 3.546 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC4(CCOCC4)CO2)C3)cc1 ZINC000883263599 897417611 /nfs/dbraw/zinc/41/76/11/897417611.db2.gz ZQEFAMBOHQFKMI-BJESRGMDSA-N 2 1 384.564 3.747 20 0 GHADMP O=C1NCCN1c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000883286285 897445670 /nfs/dbraw/zinc/44/56/70/897445670.db2.gz OEHQMSQGJSADIZ-MUSUJDOFSA-N 2 1 390.531 3.501 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000567870689 897464458 /nfs/dbraw/zinc/46/44/58/897464458.db2.gz JDEWHKHNIMHUTO-SJORKVTESA-N 2 1 386.458 3.848 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000820811391 897539437 /nfs/dbraw/zinc/53/94/37/897539437.db2.gz POWFLVMTPVMZLP-CWAQXLGLSA-N 2 1 391.559 3.764 20 0 GHADMP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)cc1 ZINC000883585987 897735809 /nfs/dbraw/zinc/73/58/09/897735809.db2.gz BZLZDZSSIPHSBB-KKSFZXQISA-N 2 1 379.508 3.635 20 0 GHADMP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)CC1 ZINC001136447311 897893577 /nfs/dbraw/zinc/89/35/77/897893577.db2.gz OZVOHFKLEAKQGM-HXUWFJFHSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)CC1 ZINC001136447311 897893580 /nfs/dbraw/zinc/89/35/80/897893580.db2.gz OZVOHFKLEAKQGM-HXUWFJFHSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001136447311 897893586 /nfs/dbraw/zinc/89/35/86/897893586.db2.gz OZVOHFKLEAKQGM-HXUWFJFHSA-N 2 1 375.532 3.513 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001136447311 897893591 /nfs/dbraw/zinc/89/35/91/897893591.db2.gz OZVOHFKLEAKQGM-HXUWFJFHSA-N 2 1 375.532 3.513 20 0 GHADMP CC[C@@H](C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000568888245 898190513 /nfs/dbraw/zinc/19/05/13/898190513.db2.gz FVLMMMOCNXBOMZ-NRFANRHFSA-N 2 1 383.536 3.785 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Oc2ccccc2)c1 ZINC001136541524 898213442 /nfs/dbraw/zinc/21/34/42/898213442.db2.gz FBICNGVTUKKVMR-OAQYLSRUSA-N 2 1 395.547 3.967 20 0 GHADMP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)c(F)c1 ZINC000822900962 898708166 /nfs/dbraw/zinc/70/81/66/898708166.db2.gz NBPZKUYFPLCIKI-INIZCTEOSA-N 2 1 384.430 3.853 20 0 GHADMP CCC1([NH+]2CCC2)CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000884071681 898789360 /nfs/dbraw/zinc/78/93/60/898789360.db2.gz CAKGAPOYENMWFF-UHFFFAOYSA-N 2 1 386.584 3.687 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4Cl)s3)C2)nn1 ZINC000569691675 898889366 /nfs/dbraw/zinc/88/93/66/898889366.db2.gz PFSINPIYUPYJAQ-HNNXBMFYSA-N 2 1 387.940 3.956 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000112532807 898890284 /nfs/dbraw/zinc/89/02/84/898890284.db2.gz KYNSNPAOSJPIGB-QFIPXVFZSA-N 2 1 381.520 3.588 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1F ZINC000112545882 898891615 /nfs/dbraw/zinc/89/16/15/898891615.db2.gz XBUJWUVIFVWLOU-QAPCUYQASA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1F ZINC000112545882 898891621 /nfs/dbraw/zinc/89/16/21/898891621.db2.gz XBUJWUVIFVWLOU-QAPCUYQASA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000569876405 899001665 /nfs/dbraw/zinc/00/16/65/899001665.db2.gz VWUCQDFPXFYUSI-HXUWFJFHSA-N 2 1 379.548 3.527 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000114223958 899071756 /nfs/dbraw/zinc/07/17/56/899071756.db2.gz OLSYJIIDGNOOJO-GOSISDBHSA-N 2 1 381.476 3.654 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000570165732 899168989 /nfs/dbraw/zinc/16/89/89/899168989.db2.gz AGEIQBWVODSHSP-XXBNENTESA-N 2 1 391.559 3.622 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)C1 ZINC000570215532 899200406 /nfs/dbraw/zinc/20/04/06/899200406.db2.gz IZYCIIMFIIFSTL-CTNGQTDRSA-N 2 1 385.577 3.647 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000823742123 899214248 /nfs/dbraw/zinc/21/42/48/899214248.db2.gz JTWXPDYBEGFQNO-PMACEKPBSA-N 2 1 384.524 3.922 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000772875442 899221606 /nfs/dbraw/zinc/22/16/06/899221606.db2.gz LVHPIZMCYQUBND-QUCCMNQESA-N 2 1 397.604 3.644 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000823851571 899279906 /nfs/dbraw/zinc/27/99/06/899279906.db2.gz PLMDOWCODZGRPD-OAQYLSRUSA-N 2 1 379.633 3.899 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570443773 899321306 /nfs/dbraw/zinc/32/13/06/899321306.db2.gz ANGNGAVCHWMGSA-FQEVSTJZSA-N 2 1 383.511 3.617 20 0 GHADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000570537517 899368981 /nfs/dbraw/zinc/36/89/81/899368981.db2.gz INDRKXPWLSTRHN-LJQANCHMSA-N 2 1 378.545 3.859 20 0 GHADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000570537517 899368994 /nfs/dbraw/zinc/36/89/94/899368994.db2.gz INDRKXPWLSTRHN-LJQANCHMSA-N 2 1 378.545 3.859 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000570551781 899380944 /nfs/dbraw/zinc/38/09/44/899380944.db2.gz QASPZRMBZKIKDC-UHFFFAOYSA-N 2 1 394.313 3.849 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000570551781 899380955 /nfs/dbraw/zinc/38/09/55/899380955.db2.gz QASPZRMBZKIKDC-UHFFFAOYSA-N 2 1 394.313 3.849 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccccc2)cc1OC ZINC000570570513 899398349 /nfs/dbraw/zinc/39/83/49/899398349.db2.gz SKNTUXYCIFAWOH-HXUWFJFHSA-N 2 1 396.531 3.558 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824532254 899662403 /nfs/dbraw/zinc/66/24/03/899662403.db2.gz TUVGBXWXQLLUSS-FRQCXROJSA-N 2 1 394.498 3.567 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143686199 900383828 /nfs/dbraw/zinc/38/38/28/900383828.db2.gz VNCRRQBEXWODSZ-UHFFFAOYSA-N 2 1 397.523 3.871 20 0 GHADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000573257681 900432578 /nfs/dbraw/zinc/43/25/78/900432578.db2.gz JVFNCMKXEJYEBH-PIGZYNQJSA-N 2 1 398.370 3.502 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171101103 900492773 /nfs/dbraw/zinc/49/27/73/900492773.db2.gz RLZRQEBSSOKUSC-SFHVURJKSA-N 2 1 393.959 3.515 20 0 GHADMP COc1ccc(CN2CC[C@H](Oc3ccncc3C)C2)cc1OC(F)(F)F ZINC001143879474 900649699 /nfs/dbraw/zinc/64/96/99/900649699.db2.gz MGEOMZNVJICMBP-HNNXBMFYSA-N 2 1 382.382 3.951 20 0 GHADMP CCC[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000573847394 900662341 /nfs/dbraw/zinc/66/23/41/900662341.db2.gz NIDZMONPDQINSC-QFIPXVFZSA-N 2 1 385.577 3.808 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cc(=O)oc4cc(O)ccc34)C2)s1 ZINC000844325950 900730695 /nfs/dbraw/zinc/73/06/95/900730695.db2.gz FDBFXTUJBJLFNX-INIZCTEOSA-N 2 1 398.528 3.822 20 0 GHADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000574022377 900745154 /nfs/dbraw/zinc/74/51/54/900745154.db2.gz PEWLKDQKJSODRL-NRFANRHFSA-N 2 1 396.579 3.726 20 0 GHADMP Cc1c(-c2cc(C[N@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)on2)cnn1C ZINC000574159382 900799674 /nfs/dbraw/zinc/79/96/74/900799674.db2.gz NXJDPAJZZRDXBL-WMZHIEFXSA-N 2 1 393.535 3.556 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C3(CCC3)C2)cc1 ZINC000886164931 900853177 /nfs/dbraw/zinc/85/31/77/900853177.db2.gz YEVDOFLXIBDJME-FGZHOGPDSA-N 2 1 384.564 3.607 20 0 GHADMP COc1c(C)cnc(CN(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1C ZINC000574716255 900977108 /nfs/dbraw/zinc/97/71/08/900977108.db2.gz WFIOXPAHGZBCAH-AZUAARDMSA-N 2 1 396.535 3.511 20 0 GHADMP CCc1noc([C@@H](C)[NH+](C)[C@H]2CC[C@H]([N@H+](C)[C@H](C)c3nc(CC)no3)CC2)n1 ZINC000886393866 900978337 /nfs/dbraw/zinc/97/83/37/900978337.db2.gz GHMHBEGZCQXISP-KLHDSHLOSA-N 2 1 390.532 3.574 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000574780299 901010558 /nfs/dbraw/zinc/01/05/58/901010558.db2.gz NJJUJUJYGFPKIQ-ZRCGQRJVSA-N 2 1 398.595 3.687 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4cc(Cl)ccc4C3)CC2)C1 ZINC001171133433 901011413 /nfs/dbraw/zinc/01/14/13/901011413.db2.gz LQPPJYSRMLAOKM-GHTZIAJQSA-N 2 1 390.955 3.547 20 0 GHADMP C[C@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574795433 901014633 /nfs/dbraw/zinc/01/46/33/901014633.db2.gz JAUCGIJVFJYYSC-NBHGPNQESA-N 2 1 385.939 3.757 20 0 GHADMP C[C@H]([NH2+][C@H](CC(N)=O)c1cccc(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574795433 901014637 /nfs/dbraw/zinc/01/46/37/901014637.db2.gz JAUCGIJVFJYYSC-NBHGPNQESA-N 2 1 385.939 3.757 20 0 GHADMP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]([NH3+])c1ccccc1 ZINC000575120000 901124568 /nfs/dbraw/zinc/12/45/68/901124568.db2.gz GOFLSRITEMCPKY-FXAWDEMLSA-N 2 1 385.577 3.803 20 0 GHADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000093770517 901565257 /nfs/dbraw/zinc/56/52/57/901565257.db2.gz KKPPLHGHMHXGRS-NRFANRHFSA-N 2 1 389.547 3.767 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000093770517 901565264 /nfs/dbraw/zinc/56/52/64/901565264.db2.gz KKPPLHGHMHXGRS-NRFANRHFSA-N 2 1 389.547 3.767 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000093770517 901565274 /nfs/dbraw/zinc/56/52/74/901565274.db2.gz KKPPLHGHMHXGRS-NRFANRHFSA-N 2 1 389.547 3.767 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000093770517 901565286 /nfs/dbraw/zinc/56/52/86/901565286.db2.gz KKPPLHGHMHXGRS-NRFANRHFSA-N 2 1 389.547 3.767 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000576100398 901682064 /nfs/dbraw/zinc/68/20/64/901682064.db2.gz LUSQFOGZZWGYBE-RXVVDRJESA-N 2 1 388.577 3.790 20 0 GHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000576219359 901830333 /nfs/dbraw/zinc/83/03/33/901830333.db2.gz YWALNQABPPMKDE-AAEUAGOBSA-N 2 1 377.838 3.808 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265857 901891345 /nfs/dbraw/zinc/89/13/45/901891345.db2.gz CGJCOBBNEZBXQC-HOCLYGCPSA-N 2 1 386.483 3.652 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265857 901891374 /nfs/dbraw/zinc/89/13/74/901891374.db2.gz CGJCOBBNEZBXQC-HOCLYGCPSA-N 2 1 386.483 3.652 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265857 901891381 /nfs/dbraw/zinc/89/13/81/901891381.db2.gz CGJCOBBNEZBXQC-HOCLYGCPSA-N 2 1 386.483 3.652 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000125729600 902243761 /nfs/dbraw/zinc/24/37/61/902243761.db2.gz PDOFWRIJGQURAD-QGZVFWFLSA-N 2 1 377.960 3.655 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893135 902338607 /nfs/dbraw/zinc/33/86/07/902338607.db2.gz WLDFKBWLSWMMNG-SDHSZQHLSA-N 2 1 393.575 3.793 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000576893135 902338613 /nfs/dbraw/zinc/33/86/13/902338613.db2.gz WLDFKBWLSWMMNG-SDHSZQHLSA-N 2 1 393.575 3.793 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000577055114 902471796 /nfs/dbraw/zinc/47/17/96/902471796.db2.gz IOAGAYIUJMVXGK-WOIUINJBSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000577055114 902471805 /nfs/dbraw/zinc/47/18/05/902471805.db2.gz IOAGAYIUJMVXGK-WOIUINJBSA-N 2 1 388.577 3.777 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ncn3ccccc13)CC2 ZINC001144619173 902513518 /nfs/dbraw/zinc/51/35/18/902513518.db2.gz SLTOVWXQYWHTII-NRFANRHFSA-N 2 1 390.531 3.590 20 0 GHADMP Cn1nnc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5cccs5)[C@H]4C3)ccc21 ZINC001144636652 902545863 /nfs/dbraw/zinc/54/58/63/902545863.db2.gz XHRCFNNNAOYYLI-HFSMHLIXSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5cccs5)[C@H]4C3)ccc21 ZINC001144636652 902545875 /nfs/dbraw/zinc/54/58/75/902545875.db2.gz XHRCFNNNAOYYLI-HFSMHLIXSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5cccs5)[C@H]4C3)ccc21 ZINC001144636652 902545887 /nfs/dbraw/zinc/54/58/87/902545887.db2.gz XHRCFNNNAOYYLI-HFSMHLIXSA-N 2 1 395.576 3.762 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)C[C@@H]3C)CC2)CC1 ZINC000577229981 902602288 /nfs/dbraw/zinc/60/22/88/902602288.db2.gz VADYRZYOFVCVAV-NZQKXSOJSA-N 2 1 397.607 3.977 20 0 GHADMP CCOc1ccccc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000263962810 902720556 /nfs/dbraw/zinc/72/05/56/902720556.db2.gz PRCOXTNUQVDELE-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccc4scnc4c3)CC[C@@H]21 ZINC001144738812 902782860 /nfs/dbraw/zinc/78/28/60/902782860.db2.gz ZGFRGUMXHXNGLN-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000577557031 902883231 /nfs/dbraw/zinc/88/32/31/902883231.db2.gz SCQBTHODXRBPHQ-UHFFFAOYSA-N 2 1 385.405 3.860 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577602194 902937800 /nfs/dbraw/zinc/93/78/00/902937800.db2.gz CRRWNQVNJDZENC-QFIPXVFZSA-N 2 1 392.547 3.755 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000577624892 902967403 /nfs/dbraw/zinc/96/74/03/902967403.db2.gz XMSCLCMZEILMIX-OFNKIYASSA-N 2 1 393.575 3.821 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779020017 902985295 /nfs/dbraw/zinc/98/52/95/902985295.db2.gz RHQCLYPAUSKEOD-GIVPXCGWSA-N 2 1 387.568 3.711 20 0 GHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000290438866 914681960 /nfs/dbraw/zinc/68/19/60/914681960.db2.gz VMONRIOJCINHQJ-GHTZIAJQSA-N 2 1 384.495 3.568 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000779043618 903438200 /nfs/dbraw/zinc/43/82/00/903438200.db2.gz ONTLBAMHFCOGDC-ZWKOTPCHSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000779043618 903438207 /nfs/dbraw/zinc/43/82/07/903438207.db2.gz ONTLBAMHFCOGDC-ZWKOTPCHSA-N 2 1 393.597 3.949 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC12CCOCC2 ZINC000578506632 903915456 /nfs/dbraw/zinc/91/54/56/903915456.db2.gz TUFQSHJKVRJQAJ-ASFVYERGSA-N 2 1 392.543 3.966 20 0 GHADMP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001148164848 904001276 /nfs/dbraw/zinc/00/12/76/904001276.db2.gz HMTBHQGLPRZRHV-NFBKMPQASA-N 2 1 385.596 3.662 20 0 GHADMP FC(F)(F)c1ccc2oc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)nc2c1 ZINC000151251813 904093995 /nfs/dbraw/zinc/09/39/95/904093995.db2.gz IQYCUBUQWFSAEN-UHFFFAOYSA-N 2 1 397.441 3.923 20 0 GHADMP c1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000578749231 904098026 /nfs/dbraw/zinc/09/80/26/904098026.db2.gz XDNAQLUKWVMPLN-DEOSSOPVSA-N 2 1 387.531 3.569 20 0 GHADMP c1c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000578749231 904098039 /nfs/dbraw/zinc/09/80/39/904098039.db2.gz XDNAQLUKWVMPLN-DEOSSOPVSA-N 2 1 387.531 3.569 20 0 GHADMP CCCCCN(C)c1ccc(F)cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000578892460 904208474 /nfs/dbraw/zinc/20/84/74/904208474.db2.gz WQOBNLOVCLUYSJ-IBGZPJMESA-N 2 1 377.548 3.639 20 0 GHADMP COCCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000152416783 904265169 /nfs/dbraw/zinc/26/51/69/904265169.db2.gz FUOIABLZOACOHJ-HNAYVOBHSA-N 2 1 381.358 3.991 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000579203772 904424407 /nfs/dbraw/zinc/42/44/07/904424407.db2.gz BMRFKPTUOJETFS-QGZVFWFLSA-N 2 1 382.527 3.702 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171411662 904542645 /nfs/dbraw/zinc/54/26/45/904542645.db2.gz LHISZBYPAYMJOK-NRFANRHFSA-N 2 1 382.523 3.988 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534236 904759517 /nfs/dbraw/zinc/75/95/17/904759517.db2.gz FOIKAOYATFKIJR-JTSKRJEESA-N 2 1 396.497 3.784 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CCc3cc(F)c(F)c(F)c3C2)c2c1CC[NH2+]C2 ZINC001171537224 904763449 /nfs/dbraw/zinc/76/34/49/904763449.db2.gz ZGDBTYGIHRWGLD-CQSZACIVSA-N 2 1 392.469 3.516 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C2)C1 ZINC001171612422 904873035 /nfs/dbraw/zinc/87/30/35/904873035.db2.gz JHSHFHDTUNCMQG-SPEDKVCISA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C2)C1 ZINC001171612422 904873050 /nfs/dbraw/zinc/87/30/50/904873050.db2.gz JHSHFHDTUNCMQG-SPEDKVCISA-N 2 1 379.589 3.828 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C2)C1 ZINC001171612422 904873061 /nfs/dbraw/zinc/87/30/61/904873061.db2.gz JHSHFHDTUNCMQG-SPEDKVCISA-N 2 1 379.589 3.828 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171617742 904884139 /nfs/dbraw/zinc/88/41/39/904884139.db2.gz QSQPPVIIFYDHAD-FCGDIQPGSA-N 2 1 379.589 3.684 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171617742 904884153 /nfs/dbraw/zinc/88/41/53/904884153.db2.gz QSQPPVIIFYDHAD-FCGDIQPGSA-N 2 1 379.589 3.684 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171617742 904884163 /nfs/dbraw/zinc/88/41/63/904884163.db2.gz QSQPPVIIFYDHAD-FCGDIQPGSA-N 2 1 379.589 3.684 20 0 GHADMP COc1ccccc1CC1([NH3+])CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171738774 905022865 /nfs/dbraw/zinc/02/28/65/905022865.db2.gz NOMBRDAVRRKGDT-NFBKMPQASA-N 2 1 393.575 3.694 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171742657 905033599 /nfs/dbraw/zinc/03/35/99/905033599.db2.gz YAZNHBLXZOWUAX-OHCFRWENSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@H](N(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171742657 905033618 /nfs/dbraw/zinc/03/36/18/905033618.db2.gz YAZNHBLXZOWUAX-OHCFRWENSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@H](N(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171742657 905033638 /nfs/dbraw/zinc/03/36/38/905033638.db2.gz YAZNHBLXZOWUAX-OHCFRWENSA-N 2 1 378.564 3.817 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@@H]2Cc3cccc(F)c3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001171787036 905048205 /nfs/dbraw/zinc/04/82/05/905048205.db2.gz GFBHYEJKEQLUEC-NJDAHSKKSA-N 2 1 396.506 3.852 20 0 GHADMP Cc1ccnc(O[C@H]2CC[N@@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990736 905200286 /nfs/dbraw/zinc/20/02/86/905200286.db2.gz NPCOUYDZXIKOEK-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990736 905200300 /nfs/dbraw/zinc/20/03/00/905200300.db2.gz NPCOUYDZXIKOEK-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990736 905200306 /nfs/dbraw/zinc/20/03/06/905200306.db2.gz NPCOUYDZXIKOEK-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171990736 905200318 /nfs/dbraw/zinc/20/03/18/905200318.db2.gz NPCOUYDZXIKOEK-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP COC(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171973109 905218142 /nfs/dbraw/zinc/21/81/42/905218142.db2.gz VYGZSROGSSPZCK-QFIPXVFZSA-N 2 1 380.532 3.935 20 0 GHADMP CN(C)C(=O)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171980951 905230839 /nfs/dbraw/zinc/23/08/39/905230839.db2.gz YLPCNWUPRWCLOU-HSZRJFAPSA-N 2 1 393.575 3.964 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984653 905241735 /nfs/dbraw/zinc/24/17/35/905241735.db2.gz OEBGENOVJYRFHW-UPVQGACJSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984653 905241750 /nfs/dbraw/zinc/24/17/50/905241750.db2.gz OEBGENOVJYRFHW-UPVQGACJSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171984653 905241762 /nfs/dbraw/zinc/24/17/62/905241762.db2.gz OEBGENOVJYRFHW-UPVQGACJSA-N 2 1 383.580 3.907 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(N3CCCOC3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985831 905244598 /nfs/dbraw/zinc/24/45/98/905244598.db2.gz CESNLUYCAUJCJH-OAQYLSRUSA-N 2 1 385.552 3.736 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987203 905247249 /nfs/dbraw/zinc/24/72/49/905247249.db2.gz RAWSBMOUDZAFJB-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987203 905247262 /nfs/dbraw/zinc/24/72/62/905247262.db2.gz RAWSBMOUDZAFJB-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987203 905247277 /nfs/dbraw/zinc/24/72/77/905247277.db2.gz RAWSBMOUDZAFJB-RBBKRZOGSA-N 2 1 395.547 3.987 20 0 GHADMP Cc1nccnc1O[C@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986995 905248483 /nfs/dbraw/zinc/24/84/83/905248483.db2.gz OHGFYNVEZIIMDV-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986995 905248494 /nfs/dbraw/zinc/24/84/94/905248494.db2.gz OHGFYNVEZIIMDV-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986995 905248510 /nfs/dbraw/zinc/24/85/10/905248510.db2.gz OHGFYNVEZIIMDV-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171986995 905248524 /nfs/dbraw/zinc/24/85/24/905248524.db2.gz OHGFYNVEZIIMDV-SFTDATJTSA-N 2 1 380.536 3.681 20 0 GHADMP [NH3+]C[C@@H](CO)c1ccc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172079956 905291960 /nfs/dbraw/zinc/29/19/60/905291960.db2.gz RGLMLBLLXKFMHV-TWDDROGUSA-N 2 1 379.548 3.719 20 0 GHADMP [NH3+]C[C@H](CO)c1ccc(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172079777 905293139 /nfs/dbraw/zinc/29/31/39/905293139.db2.gz RGLMLBLLXKFMHV-CAUSLRQDSA-N 2 1 379.548 3.719 20 0 GHADMP CC[NH+](CC)C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC001172086649 905303609 /nfs/dbraw/zinc/30/36/09/905303609.db2.gz HSCDVVKPAYBLJP-UEQSERJNSA-N 2 1 385.596 3.615 20 0 GHADMP COc1ccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172063294 905328926 /nfs/dbraw/zinc/32/89/26/905328926.db2.gz BRYJIXAJOWXEEF-YCSHWKNNSA-N 2 1 380.532 3.904 20 0 GHADMP COc1ccc([C@H](CO)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172063294 905329006 /nfs/dbraw/zinc/32/90/06/905329006.db2.gz BRYJIXAJOWXEEF-YCSHWKNNSA-N 2 1 380.532 3.904 20 0 GHADMP FC1(F)CCCN(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065315 905332177 /nfs/dbraw/zinc/33/21/77/905332177.db2.gz KIOYWSABWNGYDW-MZADTFQBSA-N 2 1 377.523 3.893 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC001172069122 905338251 /nfs/dbraw/zinc/33/82/51/905338251.db2.gz ZWNCZRHUEXJIRT-ODAXIHTASA-N 2 1 376.548 3.836 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(I)cc1 ZINC001172104238 905351839 /nfs/dbraw/zinc/35/18/39/905351839.db2.gz DPMSWUXWQITPNU-VDNDLQMASA-N 2 1 384.305 3.957 20 0 GHADMP C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(I)cc1 ZINC001172104238 905351854 /nfs/dbraw/zinc/35/18/54/905351854.db2.gz DPMSWUXWQITPNU-VDNDLQMASA-N 2 1 384.305 3.957 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172105660 905353451 /nfs/dbraw/zinc/35/34/51/905353451.db2.gz JZEBPYMYDZEVHQ-ACDBMABISA-N 2 1 377.573 3.866 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Br)c1 ZINC001172115091 905367929 /nfs/dbraw/zinc/36/79/29/905367929.db2.gz QQHFKPPJSJGERH-ZJPYXAASSA-N 2 1 395.341 3.658 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C3CN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172121070 905380237 /nfs/dbraw/zinc/38/02/37/905380237.db2.gz ONUMNLANUSNREM-PMOLBWCYSA-N 2 1 377.573 3.581 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C3CN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172121070 905380254 /nfs/dbraw/zinc/38/02/54/905380254.db2.gz ONUMNLANUSNREM-PMOLBWCYSA-N 2 1 377.573 3.581 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172329897 905495217 /nfs/dbraw/zinc/49/52/17/905495217.db2.gz LJOQMRRHASDITC-CUUWFGFTSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001172329897 905495223 /nfs/dbraw/zinc/49/52/23/905495223.db2.gz LJOQMRRHASDITC-CUUWFGFTSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001172329897 905495230 /nfs/dbraw/zinc/49/52/30/905495230.db2.gz LJOQMRRHASDITC-CUUWFGFTSA-N 2 1 376.589 3.650 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001172329897 905495232 /nfs/dbraw/zinc/49/52/32/905495232.db2.gz LJOQMRRHASDITC-CUUWFGFTSA-N 2 1 376.589 3.650 20 0 GHADMP CC(C)COCC[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001172467347 905580101 /nfs/dbraw/zinc/58/01/01/905580101.db2.gz QMFVURKHDVFNQO-RBBKRZOGSA-N 2 1 389.584 3.588 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000175515061 905586600 /nfs/dbraw/zinc/58/66/00/905586600.db2.gz XMXSDWSKEJDUEZ-NRFANRHFSA-N 2 1 398.551 3.787 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CC[C@H]4CN(C(=O)c5ccccc5)CC[C@H]4C3)C2)CC1 ZINC001172531653 905594800 /nfs/dbraw/zinc/59/48/00/905594800.db2.gz NYPOUMQGFIZMIO-VABKMULXSA-N 2 1 395.591 3.735 20 0 GHADMP CCCCCC[C@H](CCCC)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172513294 905607303 /nfs/dbraw/zinc/60/73/03/905607303.db2.gz MWXILUWVSPDWBK-SFHVURJKSA-N 2 1 392.588 3.853 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C(C)(C)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001172584377 905684666 /nfs/dbraw/zinc/68/46/66/905684666.db2.gz NGNXXLFXFWMQLB-WMZOPIPTSA-N 2 1 379.520 3.902 20 0 GHADMP O=C1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC001172663792 905726080 /nfs/dbraw/zinc/72/60/80/905726080.db2.gz QCTBMMIKLIQRQN-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172777460 905817692 /nfs/dbraw/zinc/81/76/92/905817692.db2.gz JIFZEAZHZDMBGP-AYWYSENESA-N 2 1 388.552 3.889 20 0 GHADMP CC[N@H+](Cc1cn(-c2ccc(F)cc2)nn1)CC1CCN(c2ccccn2)CC1 ZINC000628181928 905999282 /nfs/dbraw/zinc/99/92/82/905999282.db2.gz XHUWYJDDJQYSFF-UHFFFAOYSA-N 2 1 394.498 3.540 20 0 GHADMP CCN(Cc1cn(-c2ccc(F)cc2)nn1)CC1CCN(c2ccccn2)CC1 ZINC000628181928 905999294 /nfs/dbraw/zinc/99/92/94/905999294.db2.gz XHUWYJDDJQYSFF-UHFFFAOYSA-N 2 1 394.498 3.540 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001172960405 906068270 /nfs/dbraw/zinc/06/82/70/906068270.db2.gz XSWYMRKHPJKXBT-ROUUACIJSA-N 2 1 397.604 3.644 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172960610 906070695 /nfs/dbraw/zinc/07/06/95/906070695.db2.gz ZKGVWKFXXUTESW-OKZBNKHCSA-N 2 1 393.597 3.757 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001172960610 906070703 /nfs/dbraw/zinc/07/07/03/906070703.db2.gz ZKGVWKFXXUTESW-OKZBNKHCSA-N 2 1 393.597 3.757 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001172960610 906070711 /nfs/dbraw/zinc/07/07/11/906070711.db2.gz ZKGVWKFXXUTESW-OKZBNKHCSA-N 2 1 393.597 3.757 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001172960610 906070716 /nfs/dbraw/zinc/07/07/16/906070716.db2.gz ZKGVWKFXXUTESW-OKZBNKHCSA-N 2 1 393.597 3.757 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)cc1 ZINC000628424901 906122317 /nfs/dbraw/zinc/12/23/17/906122317.db2.gz VLTWBSXYTYPNSG-DEOSSOPVSA-N 2 1 394.515 3.627 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001173062636 906140231 /nfs/dbraw/zinc/14/02/31/906140231.db2.gz VFAIBTYZEMDOKY-VQIMIIECSA-N 2 1 391.531 3.864 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173110830 906199130 /nfs/dbraw/zinc/19/91/30/906199130.db2.gz ZDJZYCBKPCVCFB-KKXNLOMOSA-N 2 1 379.589 3.828 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001173111980 906200661 /nfs/dbraw/zinc/20/06/61/906200661.db2.gz SZQZZFCUIAOFBY-WIXQSORDSA-N 2 1 375.582 3.830 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000177826560 906223567 /nfs/dbraw/zinc/22/35/67/906223567.db2.gz YFLQXYGYZCWFQO-HOTGVXAUSA-N 2 1 383.517 3.996 20 0 GHADMP COc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CO2 ZINC001173162771 906248496 /nfs/dbraw/zinc/24/84/96/906248496.db2.gz YRDLNSPQCAMWRH-AUSIDOKSSA-N 2 1 380.532 3.889 20 0 GHADMP COc1cccc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CO2 ZINC001173162771 906248503 /nfs/dbraw/zinc/24/85/03/906248503.db2.gz YRDLNSPQCAMWRH-AUSIDOKSSA-N 2 1 380.532 3.889 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000177978223 906258034 /nfs/dbraw/zinc/25/80/34/906258034.db2.gz KTRZDDBYCYFTJT-INIZCTEOSA-N 2 1 392.540 3.920 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001173208658 906325196 /nfs/dbraw/zinc/32/51/96/906325196.db2.gz AFBJWDMHTJJJCR-NZQKXSOJSA-N 2 1 393.575 3.739 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001173208658 906325209 /nfs/dbraw/zinc/32/52/09/906325209.db2.gz AFBJWDMHTJJJCR-NZQKXSOJSA-N 2 1 393.575 3.739 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001173208658 906325221 /nfs/dbraw/zinc/32/52/21/906325221.db2.gz AFBJWDMHTJJJCR-NZQKXSOJSA-N 2 1 393.575 3.739 20 0 GHADMP CCCC[C@H](CC(C)C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001173264295 906345075 /nfs/dbraw/zinc/34/50/75/906345075.db2.gz YEQXYFIVYUHDPR-HXUWFJFHSA-N 2 1 376.589 3.894 20 0 GHADMP CCCC[C@H](CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001173264295 906345091 /nfs/dbraw/zinc/34/50/91/906345091.db2.gz YEQXYFIVYUHDPR-HXUWFJFHSA-N 2 1 376.589 3.894 20 0 GHADMP CCCC[C@H](CC(C)C)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001173264295 906345111 /nfs/dbraw/zinc/34/51/11/906345111.db2.gz YEQXYFIVYUHDPR-HXUWFJFHSA-N 2 1 376.589 3.894 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H](C)Cc3ccc(CC)cc3)CC2)C1 ZINC001173239788 906352313 /nfs/dbraw/zinc/35/23/13/906352313.db2.gz JXZKDQYKVBHZMQ-SIKLNZKXSA-N 2 1 386.580 3.920 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@@H](C)Cc3ccc(CC)cc3)CC2)C1 ZINC001173239788 906352333 /nfs/dbraw/zinc/35/23/33/906352333.db2.gz JXZKDQYKVBHZMQ-SIKLNZKXSA-N 2 1 386.580 3.920 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000179424934 906499455 /nfs/dbraw/zinc/49/94/55/906499455.db2.gz GWHHZIAQTAZLGG-MRXNPFEDSA-N 2 1 385.577 3.829 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662260 906598240 /nfs/dbraw/zinc/59/82/40/906598240.db2.gz WQHVPQJXIZAXAM-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001173662260 906598255 /nfs/dbraw/zinc/59/82/55/906598255.db2.gz WQHVPQJXIZAXAM-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173741509 906679538 /nfs/dbraw/zinc/67/95/38/906679538.db2.gz DJWIXVGWFFIOLU-LWYYNNOASA-N 2 1 388.947 3.582 20 0 GHADMP FC(F)(F)CN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180109983 906692029 /nfs/dbraw/zinc/69/20/29/906692029.db2.gz LWHUXXKTRVHRBJ-UMQXSMKFSA-N 2 1 381.486 3.656 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@@H]1C(F)(F)F ZINC000629566007 906872422 /nfs/dbraw/zinc/87/24/22/906872422.db2.gz XMXUBCPPKKVJBH-SJORKVTESA-N 2 1 388.437 3.960 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@@H]1C(F)(F)F ZINC000629566007 906872437 /nfs/dbraw/zinc/87/24/37/906872437.db2.gz XMXUBCPPKKVJBH-SJORKVTESA-N 2 1 388.437 3.960 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629569891 906875573 /nfs/dbraw/zinc/87/55/73/906875573.db2.gz YMEGXASRTRRANH-MJGOQNOKSA-N 2 1 391.437 3.898 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1C(F)(F)F ZINC000629569891 906875585 /nfs/dbraw/zinc/87/55/85/906875585.db2.gz YMEGXASRTRRANH-MJGOQNOKSA-N 2 1 391.437 3.898 20 0 GHADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC000629675896 906952412 /nfs/dbraw/zinc/95/24/12/906952412.db2.gz HZOWIYZLYLTLEQ-CGTJXYLNSA-N 2 1 382.533 3.665 20 0 GHADMP C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000181312063 906972677 /nfs/dbraw/zinc/97/26/77/906972677.db2.gz PFPYBEKIBTZHTC-INIZCTEOSA-N 2 1 382.533 3.996 20 0 GHADMP CC[N@H+](Cc1cccc(Br)n1)CC1CCN(c2ccccn2)CC1 ZINC000779437656 907087152 /nfs/dbraw/zinc/08/71/52/907087152.db2.gz UEHFBPXSYQFWBR-UHFFFAOYSA-N 2 1 389.341 3.978 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000182226108 907161383 /nfs/dbraw/zinc/16/13/83/907161383.db2.gz UIBOZFDHIFRWMY-GHTZIAJQSA-N 2 1 398.547 3.820 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC000182228265 907163836 /nfs/dbraw/zinc/16/38/36/907163836.db2.gz USSGLAWADWVPRQ-YLJYHZDGSA-N 2 1 384.520 3.511 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183188077 907348095 /nfs/dbraw/zinc/34/80/95/907348095.db2.gz ULDMNCFXMVEQGR-ZMSDIMECSA-N 2 1 382.545 3.533 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183188077 907348110 /nfs/dbraw/zinc/34/81/10/907348110.db2.gz ULDMNCFXMVEQGR-ZMSDIMECSA-N 2 1 382.545 3.533 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1F ZINC000183261474 907360359 /nfs/dbraw/zinc/36/03/59/907360359.db2.gz YWSJIMWCLDLUIR-QAPCUYQASA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1F ZINC000183261474 907360376 /nfs/dbraw/zinc/36/03/76/907360376.db2.gz YWSJIMWCLDLUIR-QAPCUYQASA-N 2 1 387.474 3.513 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC001175690559 907697031 /nfs/dbraw/zinc/69/70/31/907697031.db2.gz ZNHDUJQYAHWCTI-IBGZPJMESA-N 2 1 381.923 3.782 20 0 GHADMP Clc1ccc(N2CCN(CCC[N@H+]3CC[C@H](c4nccs4)C3)CC2)cc1 ZINC001175733652 907709926 /nfs/dbraw/zinc/70/99/26/907709926.db2.gz PGJAWRDHFQKAKR-KRWDZBQOSA-N 2 1 390.984 3.798 20 0 GHADMP C[NH+](C)CCOc1ccc(Nc2c[nH+]c3ccc(Br)cn23)cc1 ZINC001176223620 907993976 /nfs/dbraw/zinc/99/39/76/907993976.db2.gz INEVGQVIINOXOD-UHFFFAOYSA-N 2 1 375.270 3.781 20 0 GHADMP CC1(C)OCc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)ccc2O1 ZINC000187511824 908098401 /nfs/dbraw/zinc/09/84/01/908098401.db2.gz DSUPFDIMILSJNT-QFIPXVFZSA-N 2 1 396.531 3.578 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000632902832 908135948 /nfs/dbraw/zinc/13/59/48/908135948.db2.gz YQOSEWLWHRRCFO-LJQANCHMSA-N 2 1 383.540 3.955 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccc(F)c1 ZINC000187801864 908141090 /nfs/dbraw/zinc/14/10/90/908141090.db2.gz CAIUKOZFFPUXTB-JOCHJYFZSA-N 2 1 399.510 3.727 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001177215746 908469494 /nfs/dbraw/zinc/46/94/94/908469494.db2.gz FUDYZOIKSLTRNV-VWNXMTODSA-N 2 1 385.596 3.869 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001177222000 908472431 /nfs/dbraw/zinc/47/24/31/908472431.db2.gz FMCXDLAHJZNWBN-ILBGXUMGSA-N 2 1 393.575 3.521 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cn(Cc3ccccc3)nn2)C1 ZINC001177262269 908505869 /nfs/dbraw/zinc/50/58/69/908505869.db2.gz RZWLZIFPFDJWCV-FQEVSTJZSA-N 2 1 389.547 3.848 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)ccc3NC3CC3)CC2)CC1 ZINC000633914090 908532748 /nfs/dbraw/zinc/53/27/48/908532748.db2.gz IWABZWKIMHBJDB-UHFFFAOYSA-N 2 1 388.531 3.535 20 0 GHADMP Clc1sc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000191123787 908580595 /nfs/dbraw/zinc/58/05/95/908580595.db2.gz HIXRJYWDSQZTSL-NSHDSACASA-N 2 1 393.778 3.755 20 0 GHADMP C[C@@H]1CCC[C@@](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)([NH+](C)C)C1 ZINC001177441905 908590824 /nfs/dbraw/zinc/59/08/24/908590824.db2.gz LRQAMFOQYYEBJN-SPYBWZPUSA-N 2 1 377.520 3.635 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000634123523 908614831 /nfs/dbraw/zinc/61/48/31/908614831.db2.gz PJRDLVJUTKCAJP-IBGZPJMESA-N 2 1 386.584 3.826 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(-c4ccccc4)nc3)CC2)oc1C ZINC001177663908 908687174 /nfs/dbraw/zinc/68/71/74/908687174.db2.gz JLYMHOKCZPIDRY-UHFFFAOYSA-N 2 1 391.519 3.750 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@@H]3CCc4nccn4C3)cccc2[C@@H](c2ccccc2)C1 ZINC001178118258 908889782 /nfs/dbraw/zinc/88/97/82/908889782.db2.gz RKYDMPKYUYIDOS-UYAOXDASSA-N 2 1 386.499 3.662 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)nc(Br)c2)CC1 ZINC001206324349 909001943 /nfs/dbraw/zinc/00/19/43/909001943.db2.gz AFWIJOQPMAWXFY-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)nc(Br)c2)CC1 ZINC001206324349 909001961 /nfs/dbraw/zinc/00/19/61/909001961.db2.gz AFWIJOQPMAWXFY-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268782204 910014123 /nfs/dbraw/zinc/01/41/23/910014123.db2.gz DHLYGYSPAVINNO-XXBNENTESA-N 2 1 385.596 3.914 20 0 GHADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268782204 910014128 /nfs/dbraw/zinc/01/41/28/910014128.db2.gz DHLYGYSPAVINNO-XXBNENTESA-N 2 1 385.596 3.914 20 0 GHADMP C[C@H]1c2ccccc2CCN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637986219 910021099 /nfs/dbraw/zinc/02/10/99/910021099.db2.gz KRIMZDORKRTVJS-IBGZPJMESA-N 2 1 377.532 3.516 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000268822916 910034184 /nfs/dbraw/zinc/03/41/84/910034184.db2.gz YDCIEHIAXYDFOJ-HYBUGGRVSA-N 2 1 391.559 3.809 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(COC)c2)[C@H](C)C1 ZINC000268915575 910068637 /nfs/dbraw/zinc/06/86/37/910068637.db2.gz NZZPUOQGNPOKCY-LQWHRVPQSA-N 2 1 378.557 3.629 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccnc(OC3CCOCC3)c2)cc1 ZINC000268929185 910073174 /nfs/dbraw/zinc/07/31/74/910073174.db2.gz YZLLTFKNSWGHFO-KRWDZBQOSA-N 2 1 392.503 3.984 20 0 GHADMP Cc1cc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)c(C)c1O ZINC000638285421 910104330 /nfs/dbraw/zinc/10/43/30/910104330.db2.gz KXDFSBYARQAJBI-UHFFFAOYSA-N 2 1 381.520 3.640 20 0 GHADMP C[C@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000638313524 910114840 /nfs/dbraw/zinc/11/48/40/910114840.db2.gz XQEXATWCZHRDCX-INIZCTEOSA-N 2 1 387.474 3.526 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000638568856 910195237 /nfs/dbraw/zinc/19/52/37/910195237.db2.gz WEQSUXAJDWPZMA-IERDGZPVSA-N 2 1 385.531 3.503 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638747158 910224411 /nfs/dbraw/zinc/22/44/11/910224411.db2.gz BKBWYJSRHNOFGA-BELIEFIBSA-N 2 1 397.607 3.712 20 0 GHADMP C[C@H](NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1)c1nnc2n1CCC2 ZINC000638908271 910273982 /nfs/dbraw/zinc/27/39/82/910273982.db2.gz ZTTVDPFNGYPSJY-MBSDFSHPSA-N 2 1 381.568 3.813 20 0 GHADMP CO[C@H](CN(CCCn1ccnc1)Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000639167906 910337419 /nfs/dbraw/zinc/33/74/19/910337419.db2.gz MLZQZOSIYRUMLF-OXJNMPFZSA-N 2 1 395.906 3.619 20 0 GHADMP O=c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000246522680 910352879 /nfs/dbraw/zinc/35/28/79/910352879.db2.gz IWFQYXLTDLVHGL-AVRDEDQJSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000246522680 910352895 /nfs/dbraw/zinc/35/28/95/910352895.db2.gz IWFQYXLTDLVHGL-AVRDEDQJSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000246522680 910352897 /nfs/dbraw/zinc/35/28/97/910352897.db2.gz IWFQYXLTDLVHGL-AVRDEDQJSA-N 2 1 378.516 3.730 20 0 GHADMP O=c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2cc3c(cc2o1)CCC3 ZINC000246522680 910352910 /nfs/dbraw/zinc/35/29/10/910352910.db2.gz IWFQYXLTDLVHGL-AVRDEDQJSA-N 2 1 378.516 3.730 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000299683518 921580775 /nfs/dbraw/zinc/58/07/75/921580775.db2.gz NGCSFADYAQXHET-UHFFFAOYSA-N 2 1 383.477 3.684 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C12CC(C1)CC[NH+]2Cc1ccccc1 ZINC001181494379 910797511 /nfs/dbraw/zinc/79/75/11/910797511.db2.gz KLYIJSIGGDTKJN-ZPGVXSSASA-N 2 1 381.564 3.564 20 0 GHADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C12CC(C1)CC[NH+]2Cc1ccccc1 ZINC001181494379 910797527 /nfs/dbraw/zinc/79/75/27/910797527.db2.gz KLYIJSIGGDTKJN-ZPGVXSSASA-N 2 1 381.564 3.564 20 0 GHADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181494379 910797544 /nfs/dbraw/zinc/79/75/44/910797544.db2.gz KLYIJSIGGDTKJN-ZPGVXSSASA-N 2 1 381.564 3.564 20 0 GHADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181494379 910797561 /nfs/dbraw/zinc/79/75/61/910797561.db2.gz KLYIJSIGGDTKJN-ZPGVXSSASA-N 2 1 381.564 3.564 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000271464976 910914488 /nfs/dbraw/zinc/91/44/88/910914488.db2.gz GNJRTDTXXZNXNR-RZAIGCCYSA-N 2 1 385.321 3.617 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000801923288 921631532 /nfs/dbraw/zinc/63/15/32/921631532.db2.gz CZGWXAOODBUZGF-VQTJNVASSA-N 2 1 379.589 3.831 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001181996059 911117086 /nfs/dbraw/zinc/11/70/86/911117086.db2.gz PYERJHHDKGPUBE-IBGZPJMESA-N 2 1 397.485 3.660 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)N(c1cc(OC)cc2cccnc21)[C@@H](C)CCC[NH3+] ZINC001181997293 911117297 /nfs/dbraw/zinc/11/72/97/911117297.db2.gz PQCVBTSRKYVYQS-PXNSSMCTSA-N 2 1 398.551 3.578 20 0 GHADMP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774004521 911227264 /nfs/dbraw/zinc/22/72/64/911227264.db2.gz AGJDONDHBIJNQD-CTNGQTDRSA-N 2 1 395.950 3.997 20 0 GHADMP CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000774004521 911227274 /nfs/dbraw/zinc/22/72/74/911227274.db2.gz AGJDONDHBIJNQD-CTNGQTDRSA-N 2 1 395.950 3.997 20 0 GHADMP C[C@H]1[C@H](CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C[NH+]1C(c1ccccc1)c1ccccc1 ZINC001186949500 914914174 /nfs/dbraw/zinc/91/41/74/914914174.db2.gz UAYKXZOAOVXBBB-SXWKCWPCSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@H]1[C@H](CC(=O)NC[C@@H]2CC[NH+](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949500 914914188 /nfs/dbraw/zinc/91/41/88/914914188.db2.gz UAYKXZOAOVXBBB-SXWKCWPCSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@H]1[C@H](CC(=O)NC[C@@H]2CC[NH+](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949500 914914194 /nfs/dbraw/zinc/91/41/94/914914194.db2.gz UAYKXZOAOVXBBB-SXWKCWPCSA-N 2 1 391.559 3.554 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000291103328 914978286 /nfs/dbraw/zinc/97/82/86/914978286.db2.gz JOJVEJWKARACRE-GCJKJVERSA-N 2 1 380.536 3.923 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000291103328 914978291 /nfs/dbraw/zinc/97/82/91/914978291.db2.gz JOJVEJWKARACRE-GCJKJVERSA-N 2 1 380.536 3.923 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc1 ZINC001187290212 915155421 /nfs/dbraw/zinc/15/54/21/915155421.db2.gz ZQAFXVHWKAWUHB-XMMPIXPASA-N 2 1 395.522 3.768 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc1 ZINC001187290212 915155425 /nfs/dbraw/zinc/15/54/25/915155425.db2.gz ZQAFXVHWKAWUHB-XMMPIXPASA-N 2 1 395.522 3.768 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(=O)NCc1cccs1 ZINC000647333845 915157506 /nfs/dbraw/zinc/15/75/06/915157506.db2.gz APFLROGTAJIIFB-AVRDEDQJSA-N 2 1 399.604 3.828 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000647607188 915337409 /nfs/dbraw/zinc/33/74/09/915337409.db2.gz AZSVVALYDAFAHX-IBGZPJMESA-N 2 1 377.410 3.538 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]21 ZINC000647907882 915433942 /nfs/dbraw/zinc/43/39/42/915433942.db2.gz IUKPHDNTCRSOFV-YSIASYRMSA-N 2 1 379.504 3.867 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000647977239 915459373 /nfs/dbraw/zinc/45/93/73/915459373.db2.gz ZKPULEQIAOVTCP-ZULIPRJHSA-N 2 1 383.536 3.710 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000648726259 915841844 /nfs/dbraw/zinc/84/18/44/915841844.db2.gz DYLUVKXXYZKRSU-IBGZPJMESA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000648755972 915864823 /nfs/dbraw/zinc/86/48/23/915864823.db2.gz FLAFEYATNLBCNA-MRXNPFEDSA-N 2 1 386.565 3.893 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000648901786 915930803 /nfs/dbraw/zinc/93/08/03/915930803.db2.gz ZMMHVJAACUHMGO-AUSIDOKSSA-N 2 1 380.536 3.521 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000648901786 915930810 /nfs/dbraw/zinc/93/08/10/915930810.db2.gz ZMMHVJAACUHMGO-AUSIDOKSSA-N 2 1 380.536 3.521 20 0 GHADMP CC(C)N(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649065367 916008597 /nfs/dbraw/zinc/00/85/97/916008597.db2.gz XXKGHBJEUMKWKJ-QHCPKHFHSA-N 2 1 379.548 3.873 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000649336760 916103866 /nfs/dbraw/zinc/10/38/66/916103866.db2.gz TXIDXVRHLYVTDB-YJBOKZPZSA-N 2 1 385.474 3.722 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2)cs1 ZINC000649417773 916148047 /nfs/dbraw/zinc/14/80/47/916148047.db2.gz FLWDWSNBLKHKFC-OALUTQOASA-N 2 1 398.576 3.769 20 0 GHADMP COC[C@H]1CCCC[NH+](Cc2cncc(C[N@@H+]3CCCC[C@H](COC)C3)c2)C1 ZINC000649449570 916172911 /nfs/dbraw/zinc/17/29/11/916172911.db2.gz CWBMVVPSFYBYBA-SFTDATJTSA-N 2 1 389.584 3.579 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000293696901 916334072 /nfs/dbraw/zinc/33/40/72/916334072.db2.gz REFHXLCMGWOZJZ-HSZRJFAPSA-N 2 1 383.580 3.608 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Br ZINC000361155133 916534095 /nfs/dbraw/zinc/53/40/95/916534095.db2.gz AEJQHQADBWPHTO-OLZOCXBDSA-N 2 1 375.257 3.767 20 0 GHADMP FC(F)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000361155133 916534107 /nfs/dbraw/zinc/53/41/07/916534107.db2.gz AEJQHQADBWPHTO-OLZOCXBDSA-N 2 1 375.257 3.767 20 0 GHADMP CCSc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000361322133 916639823 /nfs/dbraw/zinc/63/98/23/916639823.db2.gz XEHKXFCGJHYRIJ-QGZVFWFLSA-N 2 1 396.000 3.693 20 0 GHADMP CN1c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000775306998 916885564 /nfs/dbraw/zinc/88/55/64/916885564.db2.gz FGLIIEFZUOOCSQ-OAQYLSRUSA-N 2 1 377.532 3.597 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCc1c(C)noc1C ZINC000295036369 917103830 /nfs/dbraw/zinc/10/38/30/917103830.db2.gz OHUBXVSGZIELMR-YQQQUEKLSA-N 2 1 385.508 3.594 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1c(C)noc1C ZINC000295036369 917103834 /nfs/dbraw/zinc/10/38/34/917103834.db2.gz OHUBXVSGZIELMR-YQQQUEKLSA-N 2 1 385.508 3.594 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650708083 917245237 /nfs/dbraw/zinc/24/52/37/917245237.db2.gz SWUBKFBXMUEOJR-ONTIZHBOSA-N 2 1 380.536 3.568 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000650721900 917250905 /nfs/dbraw/zinc/25/09/05/917250905.db2.gz FNMCZWCLLZIBOV-VEXUSMLFSA-N 2 1 390.531 3.886 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000650911668 917337496 /nfs/dbraw/zinc/33/74/96/917337496.db2.gz SZCWVNORATUXEP-ZCNNSNEGSA-N 2 1 397.567 3.665 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000650911668 917337508 /nfs/dbraw/zinc/33/75/08/917337508.db2.gz SZCWVNORATUXEP-ZCNNSNEGSA-N 2 1 397.567 3.665 20 0 GHADMP CN(CC[NH+]1CCCCC1)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000650910223 917337889 /nfs/dbraw/zinc/33/78/89/917337889.db2.gz MCUWFYCHUDDXJV-UHFFFAOYSA-N 2 1 398.551 3.539 20 0 GHADMP CN(CC[NH+]1CCCCC1)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000650910223 917337903 /nfs/dbraw/zinc/33/79/03/917337903.db2.gz MCUWFYCHUDDXJV-UHFFFAOYSA-N 2 1 398.551 3.539 20 0 GHADMP C[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000652274617 917860400 /nfs/dbraw/zinc/86/04/00/917860400.db2.gz SLXGTQPOZCKWBT-AUSIDOKSSA-N 2 1 392.547 3.995 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccccc3F)n2)C1 ZINC000652362466 917883414 /nfs/dbraw/zinc/88/34/14/917883414.db2.gz HYYKZGYPZQKZSB-MDASCCDHSA-N 2 1 375.513 3.810 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000653121391 918133966 /nfs/dbraw/zinc/13/39/66/918133966.db2.gz STVZMRUYEBDKDL-ZHALLVOQSA-N 2 1 397.485 3.594 20 0 GHADMP C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000653871958 918562458 /nfs/dbraw/zinc/56/24/58/918562458.db2.gz YZOAWPCPDMZPSV-ZWOKBUDYSA-N 2 1 393.522 3.569 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000297564128 919442641 /nfs/dbraw/zinc/44/26/41/919442641.db2.gz QDLQHTADBRSFIO-RXVVDRJESA-N 2 1 391.519 3.529 20 0 GHADMP C[C@@]1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368529563 922731373 /nfs/dbraw/zinc/73/13/73/922731373.db2.gz CLXJWBZTHTZECN-DEOSSOPVSA-N 2 1 378.564 3.548 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368531540 922733475 /nfs/dbraw/zinc/73/34/75/922733475.db2.gz VPZUGEOLHSDEHU-ZODMCCGTSA-N 2 1 392.591 3.794 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903187420 922842310 /nfs/dbraw/zinc/84/23/10/922842310.db2.gz SYDSMXCXRBEZSV-WOCFUTGOSA-N 2 1 377.573 3.914 20 0 GHADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(OC(F)(F)F)c1 ZINC000903191757 922843723 /nfs/dbraw/zinc/84/37/23/922843723.db2.gz FLDQXBGUJAMMRV-KTWXZFIHSA-N 2 1 384.442 3.756 20 0 GHADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(OC(F)(F)F)c1 ZINC000903191757 922843738 /nfs/dbraw/zinc/84/37/38/922843738.db2.gz FLDQXBGUJAMMRV-KTWXZFIHSA-N 2 1 384.442 3.756 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199836 922848312 /nfs/dbraw/zinc/84/83/12/922848312.db2.gz NHQPRYVRIJZIDA-XUZZJYLKSA-N 2 1 398.522 3.650 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903209819 922856001 /nfs/dbraw/zinc/85/60/01/922856001.db2.gz QMFLEXBCVRGCJE-FCZZKEPISA-N 2 1 377.573 3.817 20 0 GHADMP Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000370198683 923951297 /nfs/dbraw/zinc/95/12/97/923951297.db2.gz UIIHYMXBQJRGCH-UHFFFAOYSA-N 2 1 390.547 3.794 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C[C@H]1C ZINC000748958111 923955196 /nfs/dbraw/zinc/95/51/96/923955196.db2.gz DGUNUPRDELLYNI-NQIIRXRSSA-N 2 1 378.605 3.545 20 0 GHADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000676871150 924119454 /nfs/dbraw/zinc/11/94/54/924119454.db2.gz HANFIKRQUQIVJB-NLWGTHIKSA-N 2 1 395.547 3.590 20 0 GHADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000676871150 924119462 /nfs/dbraw/zinc/11/94/62/924119462.db2.gz HANFIKRQUQIVJB-NLWGTHIKSA-N 2 1 395.547 3.590 20 0 GHADMP Cc1c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc2ccccn12 ZINC001137269662 924169254 /nfs/dbraw/zinc/16/92/54/924169254.db2.gz VVFLUMSRUMOXEQ-UHFFFAOYSA-N 2 1 396.560 3.571 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000543807415 924269003 /nfs/dbraw/zinc/26/90/03/924269003.db2.gz LNSKRBSWVFOGFR-NMMYMHLASA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC001137309655 924453911 /nfs/dbraw/zinc/45/39/11/924453911.db2.gz OSUDIVBGYFPXGQ-FQEVSTJZSA-N 2 1 377.617 3.858 20 0 GHADMP CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000677767532 924488292 /nfs/dbraw/zinc/48/82/92/924488292.db2.gz YDXSALMQTOTZCZ-WMZHIEFXSA-N 2 1 385.596 3.616 20 0 GHADMP CC(C)Cc1ccc([C@H](C)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000677767532 924488297 /nfs/dbraw/zinc/48/82/97/924488297.db2.gz YDXSALMQTOTZCZ-WMZHIEFXSA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1ccco1 ZINC000409451944 924642531 /nfs/dbraw/zinc/64/25/31/924642531.db2.gz DVSHSVOGDOTPPG-QFIPXVFZSA-N 2 1 391.515 3.944 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)c1ccco1 ZINC000409451944 924642536 /nfs/dbraw/zinc/64/25/36/924642536.db2.gz DVSHSVOGDOTPPG-QFIPXVFZSA-N 2 1 391.515 3.944 20 0 GHADMP c1ccc(N2CCC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000678210422 924665062 /nfs/dbraw/zinc/66/50/62/924665062.db2.gz LMUMCWGGPSAUHY-UHFFFAOYSA-N 2 1 379.548 3.874 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)C1 ZINC001137394886 925335605 /nfs/dbraw/zinc/33/56/05/925335605.db2.gz BTJBZSVWBYGSNZ-QFIPXVFZSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)C1 ZINC001137394886 925335612 /nfs/dbraw/zinc/33/56/12/925335612.db2.gz BTJBZSVWBYGSNZ-QFIPXVFZSA-N 2 1 393.531 3.598 20 0 GHADMP c1ccc2c(c1)CO[C@@]21CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681167197 925747721 /nfs/dbraw/zinc/74/77/21/925747721.db2.gz OBJMDEVIEMMYRO-XMMPIXPASA-N 2 1 378.516 3.793 20 0 GHADMP CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000682167172 926031144 /nfs/dbraw/zinc/03/11/44/926031144.db2.gz PXAWXHPWDQYGMX-IBGZPJMESA-N 2 1 386.458 3.705 20 0 GHADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)CC2 ZINC000411449217 926404435 /nfs/dbraw/zinc/40/44/35/926404435.db2.gz SDVLYODFUXMDNH-UHFFFAOYSA-N 2 1 391.559 3.843 20 0 GHADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)NC(c1ccccc1)c1ccccc1)CC2 ZINC000411449217 926404437 /nfs/dbraw/zinc/40/44/37/926404437.db2.gz SDVLYODFUXMDNH-UHFFFAOYSA-N 2 1 391.559 3.843 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397997094 926486033 /nfs/dbraw/zinc/48/60/33/926486033.db2.gz CGLTYYRFLWJDJC-MLYOOKFZSA-N 2 1 375.557 3.788 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397997094 926486035 /nfs/dbraw/zinc/48/60/35/926486035.db2.gz CGLTYYRFLWJDJC-MLYOOKFZSA-N 2 1 375.557 3.788 20 0 GHADMP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000726071313 926547509 /nfs/dbraw/zinc/54/75/09/926547509.db2.gz TWIKLJQDDCPNJY-IBGZPJMESA-N 2 1 387.568 3.573 20 0 GHADMP CC(CC[NH+]1C[C@H](N2CCCC2)C[C@@H]1C)CC[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000411718134 926698879 /nfs/dbraw/zinc/69/88/79/926698879.db2.gz KKAWDWAGIOLSCO-CJRSTVEYSA-N 2 1 390.660 3.520 20 0 GHADMP CC(CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C)CC[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000411718134 926698889 /nfs/dbraw/zinc/69/88/89/926698889.db2.gz KKAWDWAGIOLSCO-CJRSTVEYSA-N 2 1 390.660 3.520 20 0 GHADMP CC(CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C)CC[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000411718134 926698913 /nfs/dbraw/zinc/69/89/13/926698913.db2.gz KKAWDWAGIOLSCO-CJRSTVEYSA-N 2 1 390.660 3.520 20 0 GHADMP CN(C)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000749573524 927195587 /nfs/dbraw/zinc/19/55/87/927195587.db2.gz UZTCXAWJONAFNZ-HXUWFJFHSA-N 2 1 386.584 3.669 20 0 GHADMP CCN1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000374846832 927596435 /nfs/dbraw/zinc/59/64/35/927596435.db2.gz SAVGTAAYSYTERN-UYAOXDASSA-N 2 1 380.458 3.814 20 0 GHADMP CC1CCC(=CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000750851032 927895974 /nfs/dbraw/zinc/89/59/74/927895974.db2.gz FTHKNRVFVXWWGG-UHFFFAOYSA-N 2 1 375.601 3.778 20 0 GHADMP C[C@@H](CNC(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000751085546 928020740 /nfs/dbraw/zinc/02/07/40/928020740.db2.gz WIWFCZSRCRPPJN-BVVFMGSASA-N 2 1 398.595 3.530 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)ccc1I ZINC000467377965 929017548 /nfs/dbraw/zinc/01/75/48/929017548.db2.gz QEQMBIJKDIJDJB-UHFFFAOYSA-N 2 1 386.321 3.952 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000544330555 929059377 /nfs/dbraw/zinc/05/93/77/929059377.db2.gz KOCPLNZIOOAYPA-SFTDATJTSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1cc(Br)cn2c(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)cnc12 ZINC000544348302 929077495 /nfs/dbraw/zinc/07/74/95/929077495.db2.gz GVGROUWXSWCYMX-UHFFFAOYSA-N 2 1 393.373 3.957 20 0 GHADMP Cc1cc(Br)cn2c(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cnc12 ZINC000544348302 929077503 /nfs/dbraw/zinc/07/75/03/929077503.db2.gz GVGROUWXSWCYMX-UHFFFAOYSA-N 2 1 393.373 3.957 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CCCC1)c1ccccc1 ZINC000544624748 929359361 /nfs/dbraw/zinc/35/93/61/929359361.db2.gz JHFNHICJFANLAQ-GOSISDBHSA-N 2 1 380.536 3.542 20 0 GHADMP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753541314 929399048 /nfs/dbraw/zinc/39/90/48/929399048.db2.gz HRAHJOZEFUFDBO-FQEVSTJZSA-N 2 1 399.539 3.797 20 0 GHADMP CC(C)(O)C[N@H+]1CCc2c(cccc2NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000753586034 929430139 /nfs/dbraw/zinc/43/01/39/929430139.db2.gz LVWOWVUHZRPSFV-UHFFFAOYSA-N 2 1 393.575 3.892 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000469430981 929880739 /nfs/dbraw/zinc/88/07/39/929880739.db2.gz YVAPANJRFIFGQJ-NRFANRHFSA-N 2 1 388.600 3.705 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000469633979 930046556 /nfs/dbraw/zinc/04/65/56/930046556.db2.gz UBDWMDDTZZNMHH-UHFFFAOYSA-N 2 1 393.575 3.927 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469758457 930140952 /nfs/dbraw/zinc/14/09/52/930140952.db2.gz RFQXQAJTLPAJCA-NHCUHLMSSA-N 2 1 393.575 3.781 20 0 GHADMP CC(C)N(C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C1CCCC1 ZINC000469786785 930161839 /nfs/dbraw/zinc/16/18/39/930161839.db2.gz KXPZEOLSUVTZNI-PMACEKPBSA-N 2 1 385.596 3.912 20 0 GHADMP Cc1ccccc1-c1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000469861465 930214008 /nfs/dbraw/zinc/21/40/08/930214008.db2.gz XJGCQPKZKLVBRX-QPPBQGQZSA-N 2 1 391.559 3.742 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1F ZINC000781421091 930837755 /nfs/dbraw/zinc/83/77/55/930837755.db2.gz OFFMFEJMTDBVTN-OMZJQYJESA-N 2 1 386.486 3.889 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000781425757 930840336 /nfs/dbraw/zinc/84/03/36/930840336.db2.gz ILZZGIYBCLQGRH-MNHFLQJXSA-N 2 1 385.596 3.519 20 0 GHADMP CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470892456 931006752 /nfs/dbraw/zinc/00/67/52/931006752.db2.gz RZTUVMVQVCBTHB-LEWJYISDSA-N 2 1 388.600 3.659 20 0 GHADMP C[N@H+](CCC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CCCCC1 ZINC000547428848 931009491 /nfs/dbraw/zinc/00/94/91/931009491.db2.gz ITKGKSHJPIAIMU-UHFFFAOYSA-N 2 1 375.582 3.829 20 0 GHADMP C[N@@H+](CCC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CCCCC1 ZINC000547428848 931009499 /nfs/dbraw/zinc/00/94/99/931009499.db2.gz ITKGKSHJPIAIMU-UHFFFAOYSA-N 2 1 375.582 3.829 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000924659477 931466150 /nfs/dbraw/zinc/46/61/50/931466150.db2.gz LLPSMAVMAMWAEC-QFIPXVFZSA-N 2 1 386.971 3.832 20 0 GHADMP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)n(C)n1 ZINC000925036102 931619629 /nfs/dbraw/zinc/61/96/29/931619629.db2.gz AHRYTNJVNOMCSF-RBBKRZOGSA-N 2 1 399.583 3.546 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000558476901 932024907 /nfs/dbraw/zinc/02/49/07/932024907.db2.gz ZJABLCYBJZJVES-IXTNQLDESA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000558476901 932024915 /nfs/dbraw/zinc/02/49/15/932024915.db2.gz ZJABLCYBJZJVES-IXTNQLDESA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000558476901 932024925 /nfs/dbraw/zinc/02/49/25/932024925.db2.gz ZJABLCYBJZJVES-IXTNQLDESA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000558476901 932024928 /nfs/dbraw/zinc/02/49/28/932024928.db2.gz ZJABLCYBJZJVES-IXTNQLDESA-N 2 1 383.580 3.618 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000558738380 932203001 /nfs/dbraw/zinc/20/30/01/932203001.db2.gz PJKFITFORRZWAR-GGAORHGYSA-N 2 1 382.548 3.625 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000558738380 932203003 /nfs/dbraw/zinc/20/30/03/932203003.db2.gz PJKFITFORRZWAR-GGAORHGYSA-N 2 1 382.548 3.625 20 0 GHADMP CN(CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000797976001 932477007 /nfs/dbraw/zinc/47/70/07/932477007.db2.gz VAEJOBQZYIFPDU-UHFFFAOYSA-N 2 1 390.572 3.877 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000798273033 932585946 /nfs/dbraw/zinc/58/59/46/932585946.db2.gz OTNXJJVDDHHDOQ-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000798273033 932585952 /nfs/dbraw/zinc/58/59/52/932585952.db2.gz OTNXJJVDDHHDOQ-UYAOXDASSA-N 2 1 375.557 3.886 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798497794 932672891 /nfs/dbraw/zinc/67/28/91/932672891.db2.gz BQDDDKUXWBPKQO-QHCPKHFHSA-N 2 1 384.520 3.680 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798497794 932672895 /nfs/dbraw/zinc/67/28/95/932672895.db2.gz BQDDDKUXWBPKQO-QHCPKHFHSA-N 2 1 384.520 3.680 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)nc2)CC1 ZINC000559817660 932876400 /nfs/dbraw/zinc/87/64/00/932876400.db2.gz KZVKSMBMTKLQKX-NFBKMPQASA-N 3 1 393.579 3.859 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177374 932899044 /nfs/dbraw/zinc/89/90/44/932899044.db2.gz NBQMDXACAWEMTJ-DLBZAZTESA-N 2 1 377.960 3.714 20 0 GHADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000560056581 933041124 /nfs/dbraw/zinc/04/11/24/933041124.db2.gz XFEBUXQGVSOZFZ-DENIHFKCSA-N 2 1 385.596 3.681 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc2c(c1)OCC(=O)N2 ZINC000560531006 933315189 /nfs/dbraw/zinc/31/51/89/933315189.db2.gz VYJGSRFODIGAHU-PXARDIRTSA-N 2 1 385.533 3.813 20 0 GHADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325408 /nfs/dbraw/zinc/32/54/08/933325408.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325419 /nfs/dbraw/zinc/32/54/19/933325419.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCCN[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325430 /nfs/dbraw/zinc/32/54/30/933325430.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 2 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325440 /nfs/dbraw/zinc/32/54/40/933325440.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325451 /nfs/dbraw/zinc/32/54/51/933325451.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325458 /nfs/dbraw/zinc/32/54/58/933325458.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325467 /nfs/dbraw/zinc/32/54/67/933325467.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 3 1 399.623 3.768 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000561046664 933815184 /nfs/dbraw/zinc/81/51/84/933815184.db2.gz XXYZKDIWLUBALP-FQEVSTJZSA-N 2 1 392.547 3.708 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000561046523 933815478 /nfs/dbraw/zinc/81/54/78/933815478.db2.gz TYNDKOPWELIYBA-WOJBJXKFSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000561046523 933815483 /nfs/dbraw/zinc/81/54/83/933815483.db2.gz TYNDKOPWELIYBA-WOJBJXKFSA-N 2 1 384.911 3.553 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561060513 933828367 /nfs/dbraw/zinc/82/83/67/933828367.db2.gz LVMIOJGWVVOPON-WOJBJXKFSA-N 2 1 383.561 3.523 20 0 GHADMP CC[N@H+](CCCC1CC[NH+]([C@@H](C)c2ncccn2)CC1)[C@@H](C)c1ncccn1 ZINC000930142510 933857676 /nfs/dbraw/zinc/85/76/76/933857676.db2.gz KCWUQFRIPARRPD-OALUTQOASA-N 2 1 382.556 3.903 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+]([C@@H](C)c2ncccn2)CC1)[C@@H](C)c1ncccn1 ZINC000930142510 933857680 /nfs/dbraw/zinc/85/76/80/933857680.db2.gz KCWUQFRIPARRPD-OALUTQOASA-N 2 1 382.556 3.903 20 0 GHADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC001118057718 934083851 /nfs/dbraw/zinc/08/38/51/934083851.db2.gz GPPANYFUKQDNNX-UONOGXRCSA-N 2 1 377.554 3.708 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581051 934286107 /nfs/dbraw/zinc/28/61/07/934286107.db2.gz KSAOMJIOARPVQK-UZLBHIALSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581051 934286110 /nfs/dbraw/zinc/28/61/10/934286110.db2.gz KSAOMJIOARPVQK-UZLBHIALSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000561581051 934286113 /nfs/dbraw/zinc/28/61/13/934286113.db2.gz KSAOMJIOARPVQK-UZLBHIALSA-N 2 1 392.975 3.506 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nnc(C(C)C)s3)CC2)cs1 ZINC001120033724 934440495 /nfs/dbraw/zinc/44/04/95/934440495.db2.gz RPHJFOIBQKSYFF-UHFFFAOYSA-N 2 1 379.599 3.682 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1cccc(C(F)(F)F)c1 ZINC000561774232 934441915 /nfs/dbraw/zinc/44/19/15/934441915.db2.gz WGRLJIDVIIUSTE-UYAOXDASSA-N 2 1 397.485 3.643 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(-c2cccc(F)c2F)o1)C1CC[NH+](C)CC1 ZINC000561976385 934601860 /nfs/dbraw/zinc/60/18/60/934601860.db2.gz CCMOTFBHKRINFI-UHFFFAOYSA-N 2 1 377.479 3.683 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc(OC)n2)CC3)c1 ZINC001137531824 935565438 /nfs/dbraw/zinc/56/54/38/935565438.db2.gz XZVXEVVSEBWALV-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001220706395 1032075301 /nfs/dbraw/zinc/07/53/01/1032075301.db2.gz IBZXHTISERWTAE-OYRHEFFESA-N 2 1 392.632 3.652 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001625778270 1014150333 /nfs/dbraw/zinc/15/03/33/1014150333.db2.gz KRYQIPOQNATVTH-HSZRJFAPSA-N 2 1 381.564 3.736 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[NH+](C)C)cc1 ZINC001625778270 1014150343 /nfs/dbraw/zinc/15/03/43/1014150343.db2.gz KRYQIPOQNATVTH-HSZRJFAPSA-N 2 1 381.564 3.736 20 0 GHADMP Cc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc(C)c1F ZINC001211910530 1014572974 /nfs/dbraw/zinc/57/29/74/1014572974.db2.gz FRSOWEPYIFANLQ-IBGZPJMESA-N 2 1 392.478 3.682 20 0 GHADMP Cc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc(C)c1F ZINC001211910530 1014572986 /nfs/dbraw/zinc/57/29/86/1014572986.db2.gz FRSOWEPYIFANLQ-IBGZPJMESA-N 2 1 392.478 3.682 20 0 GHADMP CCOc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000487324885 1014718341 /nfs/dbraw/zinc/71/83/41/1014718341.db2.gz WGIDKLUWYDAFHP-UHFFFAOYSA-N 2 1 388.939 3.985 20 0 GHADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001843 1069329336 /nfs/dbraw/zinc/32/93/36/1069329336.db2.gz YVWZURMOYLRKHF-ZEQRLZLVSA-N 2 1 377.576 3.946 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000468284594 1015544959 /nfs/dbraw/zinc/54/49/59/1015544959.db2.gz BBKTWGJEPBMAQA-AZUAARDMSA-N 2 1 386.540 3.847 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000468284594 1015544970 /nfs/dbraw/zinc/54/49/70/1015544970.db2.gz BBKTWGJEPBMAQA-AZUAARDMSA-N 2 1 386.540 3.847 20 0 GHADMP C[C@H](CCC1CCCC1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468511683 1015765865 /nfs/dbraw/zinc/76/58/65/1015765865.db2.gz NTBSHNNAQVQEGB-LJQANCHMSA-N 2 1 387.568 3.796 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN(Cc2ccccc2)C1 ZINC000468513427 1015767036 /nfs/dbraw/zinc/76/70/36/1015767036.db2.gz DFCALAQMSHCQKL-FYYLOGMGSA-N 2 1 385.596 3.522 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001226803934 1032135640 /nfs/dbraw/zinc/13/56/40/1032135640.db2.gz CHMASEVKKONPDU-KBPBESRZSA-N 2 1 389.371 3.626 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC001226803934 1032135651 /nfs/dbraw/zinc/13/56/51/1032135651.db2.gz CHMASEVKKONPDU-KBPBESRZSA-N 2 1 389.371 3.626 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000468895733 1016181860 /nfs/dbraw/zinc/18/18/60/1016181860.db2.gz IKNPGYQJUNLLOF-RTBURBONSA-N 2 1 384.568 3.536 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000545868574 1016548127 /nfs/dbraw/zinc/54/81/27/1016548127.db2.gz SOYRFUXIYWOPIW-ACJLOTCBSA-N 2 1 395.366 3.895 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000545868574 1016548137 /nfs/dbraw/zinc/54/81/37/1016548137.db2.gz SOYRFUXIYWOPIW-ACJLOTCBSA-N 2 1 395.366 3.895 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]21 ZINC000469869774 1016651593 /nfs/dbraw/zinc/65/15/93/1016651593.db2.gz GMPXWDYXAKPQSW-SGMGOOAPSA-N 2 1 375.257 3.610 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]21 ZINC000469869774 1016651602 /nfs/dbraw/zinc/65/16/02/1016651602.db2.gz GMPXWDYXAKPQSW-SGMGOOAPSA-N 2 1 375.257 3.610 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000470972306 1016931837 /nfs/dbraw/zinc/93/18/37/1016931837.db2.gz SQWADMPTJRLQIY-HNNXBMFYSA-N 2 1 384.351 3.986 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001220879760 1032168390 /nfs/dbraw/zinc/16/83/90/1032168390.db2.gz DVNZCNDBCFJPTF-SIKLNZKXSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC001220883020 1032173313 /nfs/dbraw/zinc/17/33/13/1032173313.db2.gz GHOPOEPBOBTYOT-AUSIDOKSSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001220883020 1032173325 /nfs/dbraw/zinc/17/33/25/1032173325.db2.gz GHOPOEPBOBTYOT-AUSIDOKSSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001220883020 1032173335 /nfs/dbraw/zinc/17/33/35/1032173335.db2.gz GHOPOEPBOBTYOT-AUSIDOKSSA-N 2 1 398.595 3.735 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204196 1032329396 /nfs/dbraw/zinc/32/93/96/1032329396.db2.gz HWHHJGRBFMSHCZ-OAQYLSRUSA-N 2 1 377.548 3.885 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C[NH+]1CCCCC1 ZINC001221251924 1032349394 /nfs/dbraw/zinc/34/93/94/1032349394.db2.gz DPHDGIYYPRNRCA-SFTDATJTSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC001221435042 1032413226 /nfs/dbraw/zinc/41/32/26/1032413226.db2.gz ISFWATXNHNLEET-NJYVYQBISA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001221435042 1032413229 /nfs/dbraw/zinc/41/32/29/1032413229.db2.gz ISFWATXNHNLEET-NJYVYQBISA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001221435042 1032413231 /nfs/dbraw/zinc/41/32/31/1032413231.db2.gz ISFWATXNHNLEET-NJYVYQBISA-N 2 1 392.632 3.793 20 0 GHADMP CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227447853 1032423987 /nfs/dbraw/zinc/42/39/87/1032423987.db2.gz WIPNAQIAXPRQSN-NHCUHLMSSA-N 2 1 388.600 3.659 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001221537097 1032452670 /nfs/dbraw/zinc/45/26/70/1032452670.db2.gz INOAVTDGALTRKG-VJBMBRPKSA-N 2 1 394.563 3.560 20 0 GHADMP c1cc2c(ccnc2NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)o1 ZINC001155359253 1032518146 /nfs/dbraw/zinc/51/81/46/1032518146.db2.gz ZICZNBIUNARLJX-IBGZPJMESA-N 2 1 376.504 3.742 20 0 GHADMP Cc1cc2[nH]ccc2c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH+]1 ZINC001155364561 1032521252 /nfs/dbraw/zinc/52/12/52/1032521252.db2.gz UJMSTMBJZXYBRC-HXUWFJFHSA-N 3 1 389.547 3.785 20 0 GHADMP CC(C)(C)c1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncn1 ZINC001155361738 1032518806 /nfs/dbraw/zinc/51/88/06/1032518806.db2.gz NBSDMSCPUNHXDD-HXUWFJFHSA-N 2 1 393.579 3.688 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC001221794846 1032538525 /nfs/dbraw/zinc/53/85/25/1032538525.db2.gz YOJCPSISYGICOR-GGAORHGYSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001221794846 1032538529 /nfs/dbraw/zinc/53/85/29/1032538529.db2.gz YOJCPSISYGICOR-GGAORHGYSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001221794846 1032538542 /nfs/dbraw/zinc/53/85/42/1032538542.db2.gz YOJCPSISYGICOR-GGAORHGYSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC001221794847 1032538639 /nfs/dbraw/zinc/53/86/39/1032538639.db2.gz YOJCPSISYGICOR-GMAHTHKFSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001221794847 1032538641 /nfs/dbraw/zinc/53/86/41/1032538641.db2.gz YOJCPSISYGICOR-GMAHTHKFSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001221794847 1032538642 /nfs/dbraw/zinc/53/86/42/1032538642.db2.gz YOJCPSISYGICOR-GMAHTHKFSA-N 2 1 386.584 3.605 20 0 GHADMP CCc1ccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001204175237 1032625786 /nfs/dbraw/zinc/62/57/86/1032625786.db2.gz BEUNAFWANIDDOE-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001204175237 1032625806 /nfs/dbraw/zinc/62/58/06/1032625806.db2.gz BEUNAFWANIDDOE-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001204175237 1032625821 /nfs/dbraw/zinc/62/58/21/1032625821.db2.gz BEUNAFWANIDDOE-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001204175237 1032625834 /nfs/dbraw/zinc/62/58/34/1032625834.db2.gz BEUNAFWANIDDOE-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001204175237 1032625845 /nfs/dbraw/zinc/62/58/45/1032625845.db2.gz BEUNAFWANIDDOE-SGNDLWITSA-N 2 1 378.564 3.821 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000559072146 1017357580 /nfs/dbraw/zinc/35/75/80/1017357580.db2.gz VAUGMVMCRYRUMO-UHFFFAOYSA-N 2 1 393.575 3.986 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)Cc2cncc(Br)c2)cc1 ZINC001204264884 1032706933 /nfs/dbraw/zinc/70/69/33/1032706933.db2.gz KTPPUEISEKLQBD-UHFFFAOYSA-N 2 1 392.341 3.807 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204271649 1032715429 /nfs/dbraw/zinc/71/54/29/1032715429.db2.gz AYWQDJFHLCWXQR-MJGOQNOKSA-N 2 1 391.556 3.505 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000930346426 1017823700 /nfs/dbraw/zinc/82/37/00/1017823700.db2.gz DYQUPKZFYNASMK-HJOGWXRNSA-N 2 1 396.575 3.751 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000930346426 1017823717 /nfs/dbraw/zinc/82/37/17/1017823717.db2.gz DYQUPKZFYNASMK-HJOGWXRNSA-N 2 1 396.575 3.751 20 0 GHADMP Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001204291848 1032735300 /nfs/dbraw/zinc/73/53/00/1032735300.db2.gz QSQIOPVEVOMLIG-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1[nH]c2ccccc2c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001204291848 1032735315 /nfs/dbraw/zinc/73/53/15/1032735315.db2.gz QSQIOPVEVOMLIG-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1[nH]c2ccccc2c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001204291848 1032735331 /nfs/dbraw/zinc/73/53/31/1032735331.db2.gz QSQIOPVEVOMLIG-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP [NH3+]C1(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCCCC1 ZINC000561945251 1017988462 /nfs/dbraw/zinc/98/84/62/1017988462.db2.gz FBGUDOJACONFRF-UHFFFAOYSA-N 2 1 377.532 3.582 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000562767780 1018616214 /nfs/dbraw/zinc/61/62/14/1018616214.db2.gz ONNBKKGLHRNMAX-GOSISDBHSA-N 2 1 392.547 3.886 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000563377188 1018909046 /nfs/dbraw/zinc/90/90/46/1018909046.db2.gz RQSLXDXTVTXTJN-XMMPIXPASA-N 2 1 397.607 3.807 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc2cccnc12 ZINC000564377444 1019063737 /nfs/dbraw/zinc/06/37/37/1019063737.db2.gz KSSJDWVVFPPLJS-PMACEKPBSA-N 2 1 397.563 3.633 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001155997563 1032830296 /nfs/dbraw/zinc/83/02/96/1032830296.db2.gz GCDQAPFHKJYQQI-LADGPHEKSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001155997563 1032830301 /nfs/dbraw/zinc/83/03/01/1032830301.db2.gz GCDQAPFHKJYQQI-LADGPHEKSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001155997563 1032830315 /nfs/dbraw/zinc/83/03/15/1032830315.db2.gz GCDQAPFHKJYQQI-LADGPHEKSA-N 2 1 397.607 3.854 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000574232592 1019855366 /nfs/dbraw/zinc/85/53/66/1019855366.db2.gz AAWBDEODOVHXMK-HTAPYJJXSA-N 2 1 397.588 3.574 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000574232592 1019855371 /nfs/dbraw/zinc/85/53/71/1019855371.db2.gz AAWBDEODOVHXMK-HTAPYJJXSA-N 2 1 397.588 3.574 20 0 GHADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594044 1020040595 /nfs/dbraw/zinc/04/05/95/1020040595.db2.gz BOQONRHYZOESEP-TZIWHRDSSA-N 2 1 394.563 3.871 20 0 GHADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961794 1020784964 /nfs/dbraw/zinc/78/49/64/1020784964.db2.gz ILVFVKJOQZCKDC-OXJNMPFZSA-N 2 1 397.485 3.689 20 0 GHADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000629961794 1020784969 /nfs/dbraw/zinc/78/49/69/1020784969.db2.gz ILVFVKJOQZCKDC-OXJNMPFZSA-N 2 1 397.485 3.689 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000779437807 1020788069 /nfs/dbraw/zinc/78/80/69/1020788069.db2.gz VAQQTUAPWLIHEO-ZIBCJSCZSA-N 2 1 387.568 3.932 20 0 GHADMP Cc1cc(C)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001204522313 1032946643 /nfs/dbraw/zinc/94/66/43/1032946643.db2.gz VDDSGTYFIHBELX-QHCPKHFHSA-N 2 1 379.548 3.954 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(C)c(C)o4)CC3)C2)c1 ZINC001204534035 1032956229 /nfs/dbraw/zinc/95/62/29/1032956229.db2.gz PTOBIYBGHKZOQK-UHFFFAOYSA-N 2 1 384.520 3.772 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)c(C)o4)CC3)C2)c1 ZINC001204534035 1032956240 /nfs/dbraw/zinc/95/62/40/1032956240.db2.gz PTOBIYBGHKZOQK-UHFFFAOYSA-N 2 1 384.520 3.772 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652167908 1021215046 /nfs/dbraw/zinc/21/50/46/1021215046.db2.gz ICDIPBRAYCLNMK-GMAHTHKFSA-N 2 1 386.584 3.579 20 0 GHADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000834501484 1021229256 /nfs/dbraw/zinc/22/92/56/1021229256.db2.gz BREQODMNUJMJQI-BHDDXSALSA-N 2 1 385.552 3.640 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140314602 1021380312 /nfs/dbraw/zinc/38/03/12/1021380312.db2.gz DQUKGIIRNVTUSA-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140314602 1021380332 /nfs/dbraw/zinc/38/03/32/1021380332.db2.gz DQUKGIIRNVTUSA-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3-c3cccnc3)C2)C1 ZINC001140314602 1021380352 /nfs/dbraw/zinc/38/03/52/1021380352.db2.gz DQUKGIIRNVTUSA-ILBGXUMGSA-N 2 1 391.559 3.929 20 0 GHADMP CN1CC[NH+](Cc2cccc(Nc3cccc4c3OCC[C@H]4[NH+](C)C)c2)CC1 ZINC001204573561 1032979649 /nfs/dbraw/zinc/97/96/49/1032979649.db2.gz BMIPCXDVTYRBRI-JOCHJYFZSA-N 2 1 380.536 3.563 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000834769226 1021456737 /nfs/dbraw/zinc/45/67/37/1021456737.db2.gz KMHWRZHLWNZORB-AZUAARDMSA-N 2 1 384.524 3.693 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001156341732 1032994579 /nfs/dbraw/zinc/99/45/79/1032994579.db2.gz NYVRCAGARXTVRD-KKSFZXQISA-N 2 1 384.955 3.728 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC(CC[NH+]4CCCC[C@@H]4C)CC3)C[N@H+]2C1 ZINC001137309287 1021876415 /nfs/dbraw/zinc/87/64/15/1021876415.db2.gz DUBBOKXFIOOEAV-WAGURGNTSA-N 2 1 375.601 3.610 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)C[NH+]2C1 ZINC001137309287 1021876440 /nfs/dbraw/zinc/87/64/40/1021876440.db2.gz DUBBOKXFIOOEAV-WAGURGNTSA-N 2 1 375.601 3.610 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)C[NH+]2C1 ZINC001137309287 1021876463 /nfs/dbraw/zinc/87/64/63/1021876463.db2.gz DUBBOKXFIOOEAV-WAGURGNTSA-N 2 1 375.601 3.610 20 0 GHADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c(C)c1 ZINC000678144130 1021907597 /nfs/dbraw/zinc/90/75/97/1021907597.db2.gz DJABXKCJWGIHBI-UHFFFAOYSA-N 2 1 383.536 3.623 20 0 GHADMP Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)c(C)c1 ZINC000678144130 1021907601 /nfs/dbraw/zinc/90/76/01/1021907601.db2.gz DJABXKCJWGIHBI-UHFFFAOYSA-N 2 1 383.536 3.623 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC001228629764 1033019149 /nfs/dbraw/zinc/01/91/49/1033019149.db2.gz YQTQAADZTNYKCK-NSHGMRRFSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001228629764 1033019161 /nfs/dbraw/zinc/01/91/61/1033019161.db2.gz YQTQAADZTNYKCK-NSHGMRRFSA-N 2 1 392.613 3.503 20 0 GHADMP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001228629764 1033019175 /nfs/dbraw/zinc/01/91/75/1033019175.db2.gz YQTQAADZTNYKCK-NSHGMRRFSA-N 2 1 392.613 3.503 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc(OC)c1O ZINC000679721191 1022042871 /nfs/dbraw/zinc/04/28/71/1022042871.db2.gz JMUGQTSVGMCUSL-PWRODBHTSA-N 2 1 396.531 3.800 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ncc1F)CC2 ZINC001140606553 1022059899 /nfs/dbraw/zinc/05/98/99/1022059899.db2.gz IZLYCKVVCTVMFU-INIZCTEOSA-N 2 1 393.890 3.723 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001140694801 1022287599 /nfs/dbraw/zinc/28/75/99/1022287599.db2.gz BZASAJZGQSYPDS-WOJBJXKFSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001140694801 1022287604 /nfs/dbraw/zinc/28/76/04/1022287604.db2.gz BZASAJZGQSYPDS-WOJBJXKFSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001140694801 1022287613 /nfs/dbraw/zinc/28/76/13/1022287613.db2.gz BZASAJZGQSYPDS-WOJBJXKFSA-N 2 1 381.520 3.535 20 0 GHADMP Cc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(C)c1I ZINC001204748976 1033063112 /nfs/dbraw/zinc/06/31/12/1033063112.db2.gz VGUTYIUVDZQFEJ-UHFFFAOYSA-N 2 1 398.332 3.874 20 0 GHADMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140976599 1023061787 /nfs/dbraw/zinc/06/17/87/1023061787.db2.gz SKEQJJQFOHRSGF-UHFFFAOYSA-N 2 1 393.453 3.969 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001141014989 1023211172 /nfs/dbraw/zinc/21/11/72/1023211172.db2.gz IQMZIQCNZWKHIF-UHFFFAOYSA-N 2 1 378.442 3.917 20 0 GHADMP FC(F)(F)c1n[nH]cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001141014989 1023211181 /nfs/dbraw/zinc/21/11/81/1023211181.db2.gz IQMZIQCNZWKHIF-UHFFFAOYSA-N 2 1 378.442 3.917 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001141040533 1023361994 /nfs/dbraw/zinc/36/19/94/1023361994.db2.gz KSMPORZEUMVJAE-ILWGZMRPSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001141040533 1023362004 /nfs/dbraw/zinc/36/20/04/1023362004.db2.gz KSMPORZEUMVJAE-ILWGZMRPSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001141040533 1023362011 /nfs/dbraw/zinc/36/20/11/1023362011.db2.gz KSMPORZEUMVJAE-ILWGZMRPSA-N 2 1 393.531 3.585 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccn3ccnc3c1)CC2 ZINC001141048292 1023385066 /nfs/dbraw/zinc/38/50/66/1023385066.db2.gz IKJPRONJBWQROH-IBGZPJMESA-N 2 1 396.560 3.651 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118302 1023539506 /nfs/dbraw/zinc/53/95/06/1023539506.db2.gz SNIRUMJNUSQGJH-UHFFFAOYSA-N 2 1 384.543 3.737 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1C ZINC001138137439 1024203925 /nfs/dbraw/zinc/20/39/25/1024203925.db2.gz NJODGLLDERIJKQ-UHFFFAOYSA-N 2 1 399.535 3.889 20 0 GHADMP CN(C)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001141263707 1024329445 /nfs/dbraw/zinc/32/94/45/1024329445.db2.gz DYWIAKWENZUMFL-NKKJXINNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001141263707 1024329464 /nfs/dbraw/zinc/32/94/64/1024329464.db2.gz DYWIAKWENZUMFL-NKKJXINNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001141263707 1024329480 /nfs/dbraw/zinc/32/94/80/1024329480.db2.gz DYWIAKWENZUMFL-NKKJXINNSA-N 2 1 378.564 3.880 20 0 GHADMP CN(C)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001141263707 1024329500 /nfs/dbraw/zinc/32/95/00/1024329500.db2.gz DYWIAKWENZUMFL-NKKJXINNSA-N 2 1 378.564 3.880 20 0 GHADMP CC1(C)CC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC(C)(C)[NH2+]1 ZINC001141298975 1024448730 /nfs/dbraw/zinc/44/87/30/1024448730.db2.gz PLSXBTJCOYGMIF-FQEVSTJZSA-N 2 1 383.580 3.714 20 0 GHADMP CCc1cccc2c(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@@H]4COC)C3)c[nH]c21 ZINC001138364363 1024729466 /nfs/dbraw/zinc/72/94/66/1024729466.db2.gz ZVJBQRSZFUVDFP-QPPBQGQZSA-N 2 1 381.564 3.911 20 0 GHADMP CCc1cccc2c(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)c[nH]c21 ZINC001138364363 1024729471 /nfs/dbraw/zinc/72/94/71/1024729471.db2.gz ZVJBQRSZFUVDFP-QPPBQGQZSA-N 2 1 381.564 3.911 20 0 GHADMP CCc1cccc2c(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COC)c[nH]c21 ZINC001138364363 1024729484 /nfs/dbraw/zinc/72/94/84/1024729484.db2.gz ZVJBQRSZFUVDFP-QPPBQGQZSA-N 2 1 381.564 3.911 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138440424 1024855810 /nfs/dbraw/zinc/85/58/10/1024855810.db2.gz GWGBGQQCCYQYKG-IFMALSPDSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138440424 1024855831 /nfs/dbraw/zinc/85/58/31/1024855831.db2.gz GWGBGQQCCYQYKG-IFMALSPDSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138440424 1024855844 /nfs/dbraw/zinc/85/58/44/1024855844.db2.gz GWGBGQQCCYQYKG-IFMALSPDSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138440424 1024855856 /nfs/dbraw/zinc/85/58/56/1024855856.db2.gz GWGBGQQCCYQYKG-IFMALSPDSA-N 2 1 380.532 3.966 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(C[C@H](c4cncnc4)CO3)CC2)cc1 ZINC001138543564 1024986040 /nfs/dbraw/zinc/98/60/40/1024986040.db2.gz XDQBYMYJTQCNFR-FQEVSTJZSA-N 2 1 389.503 3.509 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)cc1 ZINC001138547511 1024993824 /nfs/dbraw/zinc/99/38/24/1024993824.db2.gz NRSXOHYOPGUFLV-UHFFFAOYSA-N 2 1 391.397 3.962 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000831992449 1025097358 /nfs/dbraw/zinc/09/73/58/1025097358.db2.gz HDKFJIGYUUWPJQ-LJQANCHMSA-N 2 1 390.572 3.939 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cnn(-c5ccc(F)cc5)c4)C[C@H]3C2)cc1 ZINC001138647589 1025158056 /nfs/dbraw/zinc/15/80/56/1025158056.db2.gz DCQRKYRGCVVTOP-SZPZYZBQSA-N 2 1 390.506 3.884 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC001138772431 1025341153 /nfs/dbraw/zinc/34/11/53/1025341153.db2.gz MDBRQFXTGZPVJY-UHFFFAOYSA-N 2 1 396.560 3.559 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001138773174 1025343539 /nfs/dbraw/zinc/34/35/39/1025343539.db2.gz USEWUJGGASAZQP-UHFFFAOYSA-N 2 1 393.575 3.650 20 0 GHADMP Cc1c[nH]c2nc[nH+]c(N3CCC([NH3+])(Cc4ccc(C(F)(F)F)cc4)CC3)c12 ZINC001162054088 1025568272 /nfs/dbraw/zinc/56/82/72/1025568272.db2.gz ITPQLNFGGJNEJT-UHFFFAOYSA-N 2 1 389.425 3.826 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(F)ccc(C4OCCO4)c3Cl)C2)CC1 ZINC000839096062 1025595467 /nfs/dbraw/zinc/59/54/67/1025595467.db2.gz KUFOHNUBKTWYKF-OAHLLOKOSA-N 2 1 382.907 3.688 20 0 GHADMP FC(F)c1cccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162931705 1025971206 /nfs/dbraw/zinc/97/12/06/1025971206.db2.gz AWBLHAOKPGOGTE-SFHVURJKSA-N 2 1 386.490 3.933 20 0 GHADMP Fc1ccc(-c2cc3cc[nH+]c(NC[C@@H]4CO[C@]5(C4)CCC[NH2+]C5)c3[nH]2)cc1 ZINC001163278914 1026121005 /nfs/dbraw/zinc/12/10/05/1026121005.db2.gz LHEXHBJBUUAWEM-QRQCRPRQSA-N 2 1 380.467 3.940 20 0 GHADMP c1ccc(C[N@@H+]2Cc3ccc(NC[C@H]4CO[C@]5(C4)CCC[NH2+]C5)cc3C2)cc1 ZINC001163290557 1026128441 /nfs/dbraw/zinc/12/84/41/1026128441.db2.gz JGOABCHKQFHQKT-RDPSFJRHSA-N 2 1 377.532 3.773 20 0 GHADMP CC[NH+](CC)Cc1c(Br)cccc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163333686 1026149646 /nfs/dbraw/zinc/14/96/46/1026149646.db2.gz SYDLLSJWDYVAEJ-BEFAXECRSA-N 2 1 396.373 3.614 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)[C@H](C)C1 ZINC001163363960 1026160527 /nfs/dbraw/zinc/16/05/27/1026160527.db2.gz AZKUWKYBVSFLRN-WBVHZDCISA-N 2 1 387.528 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@H](Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)[C@H](C)C1 ZINC001163363960 1026160531 /nfs/dbraw/zinc/16/05/31/1026160531.db2.gz AZKUWKYBVSFLRN-WBVHZDCISA-N 2 1 387.528 3.509 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@H]3CC[N@@H+](C(C)C)C[C@H]3C)n2)cc1 ZINC001163371443 1026164809 /nfs/dbraw/zinc/16/48/09/1026164809.db2.gz QIVCEYSPUKYKSU-XLIONFOSSA-N 2 1 383.540 3.652 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@H]3CC[N@H+](C(C)C)C[C@H]3C)n2)cc1 ZINC001163371443 1026164819 /nfs/dbraw/zinc/16/48/19/1026164819.db2.gz QIVCEYSPUKYKSU-XLIONFOSSA-N 2 1 383.540 3.652 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC[C@H]([NH3+])c2ccc(C(=O)OC)cc2)nc1 ZINC001163467194 1026205519 /nfs/dbraw/zinc/20/55/19/1026205519.db2.gz QXYPHTAPWMBSEI-LEWJYISDSA-N 2 1 396.535 3.917 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001141701343 1026286004 /nfs/dbraw/zinc/28/60/04/1026286004.db2.gz ASIYCBPQMFRENF-QZTJIDSGSA-N 2 1 383.536 3.749 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@@H+]3CCOCC34CCC4)CC2)cc1 ZINC001139512671 1026366231 /nfs/dbraw/zinc/36/62/31/1026366231.db2.gz FJSFCKLVMAUWQD-UHFFFAOYSA-N 2 1 391.559 3.764 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCOCC34CCC4)CC2)cc1 ZINC001139512671 1026366245 /nfs/dbraw/zinc/36/62/45/1026366245.db2.gz FJSFCKLVMAUWQD-UHFFFAOYSA-N 2 1 391.559 3.764 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001139577160 1026443840 /nfs/dbraw/zinc/44/38/40/1026443840.db2.gz QNCJCKDJUCATTR-GOSISDBHSA-N 2 1 385.939 3.649 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccccc2Cl)C1 ZINC001139577160 1026443846 /nfs/dbraw/zinc/44/38/46/1026443846.db2.gz QNCJCKDJUCATTR-GOSISDBHSA-N 2 1 385.939 3.649 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)c21 ZINC001139721877 1026564473 /nfs/dbraw/zinc/56/44/73/1026564473.db2.gz MFVBKLVTLYYDMZ-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)c21 ZINC001139721877 1026564476 /nfs/dbraw/zinc/56/44/76/1026564476.db2.gz MFVBKLVTLYYDMZ-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c21 ZINC001139721877 1026564482 /nfs/dbraw/zinc/56/44/82/1026564482.db2.gz MFVBKLVTLYYDMZ-LJQANCHMSA-N 2 1 391.515 3.908 20 0 GHADMP C[NH+](C)C[C@H]1CCCN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001165074011 1026588590 /nfs/dbraw/zinc/58/85/90/1026588590.db2.gz IILWROYBDLUYRI-MRXNPFEDSA-N 2 1 399.608 3.696 20 0 GHADMP CC(C)(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C[NH+]1CCCC1 ZINC001139788462 1026612131 /nfs/dbraw/zinc/61/21/31/1026612131.db2.gz RFTABWCINSHDDK-NRFANRHFSA-N 2 1 383.580 3.527 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1 ZINC001165170350 1026646609 /nfs/dbraw/zinc/64/66/09/1026646609.db2.gz WGDZBFHZMXTZNG-AKFKNWHVSA-N 2 1 376.548 3.606 20 0 GHADMP CC[NH+](CC)Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC ZINC001165413172 1026721355 /nfs/dbraw/zinc/72/13/55/1026721355.db2.gz MESSHWUCCTVPAU-UHFFFAOYSA-N 2 1 397.563 3.981 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001140025711 1026813943 /nfs/dbraw/zinc/81/39/43/1026813943.db2.gz SFIHUQHAXMIFSJ-PMACEKPBSA-N 2 1 393.560 3.734 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccncc3)cc1)C2 ZINC001140169817 1026942799 /nfs/dbraw/zinc/94/27/99/1026942799.db2.gz LSDMQQCHBGDXCK-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccncc3)cc1)C2 ZINC001140169817 1026942803 /nfs/dbraw/zinc/94/28/03/1026942803.db2.gz LSDMQQCHBGDXCK-RPBOFIJWSA-N 2 1 391.559 3.929 20 0 GHADMP Fc1cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)ccc1Br ZINC001140210026 1026983297 /nfs/dbraw/zinc/98/32/97/1026983297.db2.gz HNHMDLGSEFSXCU-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3cc(OC)ccc3o1)C2 ZINC001209768876 1027173159 /nfs/dbraw/zinc/17/31/59/1027173159.db2.gz RWXYZJBERNYLDM-CVDCTZTESA-N 2 1 384.520 3.622 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3cc(OC)ccc3o1)C2 ZINC001209768876 1027173171 /nfs/dbraw/zinc/17/31/71/1027173171.db2.gz RWXYZJBERNYLDM-CVDCTZTESA-N 2 1 384.520 3.622 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc3cc(OC)ccc3o1)C2 ZINC001209768876 1027173181 /nfs/dbraw/zinc/17/31/81/1027173181.db2.gz RWXYZJBERNYLDM-CVDCTZTESA-N 2 1 384.520 3.622 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc3cc(OC)ccc3o1)C2 ZINC001209768876 1027173189 /nfs/dbraw/zinc/17/31/89/1027173189.db2.gz RWXYZJBERNYLDM-CVDCTZTESA-N 2 1 384.520 3.622 20 0 GHADMP CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1=S ZINC000840151634 1027282990 /nfs/dbraw/zinc/28/29/90/1027282990.db2.gz IPATTYICMOPATN-ROUUACIJSA-N 2 1 396.649 3.599 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C)c1 ZINC001203734207 1027560054 /nfs/dbraw/zinc/56/00/54/1027560054.db2.gz RIXFVTUHXRMISL-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1C ZINC001203754946 1027578337 /nfs/dbraw/zinc/57/83/37/1027578337.db2.gz YRDKJGJSZWGAAT-UHFFFAOYSA-N 2 1 382.552 3.553 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001461260986 1069467037 /nfs/dbraw/zinc/46/70/37/1069467037.db2.gz HFOPKMLOVFYTAB-UHFFFAOYSA-N 2 1 394.437 3.832 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001203795042 1027609427 /nfs/dbraw/zinc/60/94/27/1027609427.db2.gz MXPNFOBXRYXRFR-DWLFOUALSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001203795042 1027609431 /nfs/dbraw/zinc/60/94/31/1027609431.db2.gz MXPNFOBXRYXRFR-DWLFOUALSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001203795042 1027609438 /nfs/dbraw/zinc/60/94/38/1027609438.db2.gz MXPNFOBXRYXRFR-DWLFOUALSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1F ZINC001203795042 1027609446 /nfs/dbraw/zinc/60/94/46/1027609446.db2.gz MXPNFOBXRYXRFR-DWLFOUALSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)cc1OC ZINC001203838145 1027647354 /nfs/dbraw/zinc/64/73/54/1027647354.db2.gz MWTKRCQUQAFELT-NNWRFLSQSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1OC ZINC001203838145 1027647359 /nfs/dbraw/zinc/64/73/59/1027647359.db2.gz MWTKRCQUQAFELT-NNWRFLSQSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1OC ZINC001203838145 1027647364 /nfs/dbraw/zinc/64/73/64/1027647364.db2.gz MWTKRCQUQAFELT-NNWRFLSQSA-N 2 1 395.547 3.831 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC001141927368 1027681345 /nfs/dbraw/zinc/68/13/45/1027681345.db2.gz TUHKVSFKGJPQOI-HXUWFJFHSA-N 2 1 375.532 3.559 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC001141927368 1027681349 /nfs/dbraw/zinc/68/13/49/1027681349.db2.gz TUHKVSFKGJPQOI-HXUWFJFHSA-N 2 1 375.532 3.559 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1 ZINC001203962321 1027759397 /nfs/dbraw/zinc/75/93/97/1027759397.db2.gz QLQIXMCAAXPCML-QFIPXVFZSA-N 2 1 395.547 3.736 20 0 GHADMP CCN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001204012191 1027805714 /nfs/dbraw/zinc/80/57/14/1027805714.db2.gz PSNRXCUPYFFXOJ-XPWALMASSA-N 2 1 378.564 3.928 20 0 GHADMP C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840865726 1027902139 /nfs/dbraw/zinc/90/21/39/1027902139.db2.gz VFMSEARLGKMRTR-BWAGFHJFSA-N 2 1 381.520 3.607 20 0 GHADMP C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000840865738 1027902234 /nfs/dbraw/zinc/90/22/34/1027902234.db2.gz VFMSEARLGKMRTR-YUXAGFNASA-N 2 1 381.520 3.607 20 0 GHADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC001461349149 1069512680 /nfs/dbraw/zinc/51/26/80/1069512680.db2.gz ZHDICGKCXDXZAS-IRXDYDNUSA-N 2 1 387.749 3.570 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2-n2nnc3ccccc32)C1 ZINC001461372351 1069522414 /nfs/dbraw/zinc/52/24/14/1069522414.db2.gz DQUYCQCAKNZDDZ-IBGZPJMESA-N 2 1 377.536 3.878 20 0 GHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001461377787 1069524063 /nfs/dbraw/zinc/52/40/63/1069524063.db2.gz FLOIBIBXULCYNC-HSZRJFAPSA-N 2 1 390.531 3.632 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OCc2ccccc2)c2ccccc2)CC1(C)C ZINC001461436285 1069548941 /nfs/dbraw/zinc/54/89/41/1069548941.db2.gz JCVGMLITCPAWBI-VXKWHMMOSA-N 2 1 380.532 3.976 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000842479708 1029315508 /nfs/dbraw/zinc/31/55/08/1029315508.db2.gz WQAYSVGLYYQVIC-VWNXMTODSA-N 2 1 393.531 3.510 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842684852 1029491457 /nfs/dbraw/zinc/49/14/57/1029491457.db2.gz PTSLOIAXYBACRO-GBESFXJTSA-N 2 1 376.545 3.597 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000842701832 1029512762 /nfs/dbraw/zinc/51/27/62/1029512762.db2.gz ALNUMVMOBCMEDT-QHCPKHFHSA-N 2 1 378.520 3.990 20 0 GHADMP Clc1ccc2ncc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)n2n1 ZINC001143003362 1029771959 /nfs/dbraw/zinc/77/19/59/1029771959.db2.gz WGPLWNWPIWQCOE-OALUTQOASA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)n2n1 ZINC001143003362 1029771965 /nfs/dbraw/zinc/77/19/65/1029771965.db2.gz WGPLWNWPIWQCOE-OALUTQOASA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)n2n1 ZINC001143003362 1029771973 /nfs/dbraw/zinc/77/19/73/1029771973.db2.gz WGPLWNWPIWQCOE-OALUTQOASA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)n2n1 ZINC001143003362 1029771979 /nfs/dbraw/zinc/77/19/79/1029771979.db2.gz WGPLWNWPIWQCOE-OALUTQOASA-N 2 1 395.938 3.727 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3nccn3c1)CC2 ZINC001143021227 1029787524 /nfs/dbraw/zinc/78/75/24/1029787524.db2.gz SHXGYWYHEXWNMB-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cn3c(cccc3Br)n2)CC1 ZINC001143082042 1029832382 /nfs/dbraw/zinc/83/23/82/1029832382.db2.gz NKJXGGPRFGIHNV-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C(\C)c1ccccc1Cl ZINC001143140438 1029865157 /nfs/dbraw/zinc/86/51/57/1029865157.db2.gz QFPFPUUYLZSBID-ODECOBMASA-N 2 1 377.960 3.618 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001143153061 1029870971 /nfs/dbraw/zinc/87/09/71/1029870971.db2.gz LOUJDADPELVYQB-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001143153061 1029870977 /nfs/dbraw/zinc/87/09/77/1029870977.db2.gz LOUJDADPELVYQB-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP COc1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)oc1ccccc12 ZINC000843377950 1029951079 /nfs/dbraw/zinc/95/10/79/1029951079.db2.gz AOZBZDWSGAAASW-OAHLLOKOSA-N 2 1 381.476 3.594 20 0 GHADMP COc1cc2c(cc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)oc1ccccc12 ZINC000843377950 1029951084 /nfs/dbraw/zinc/95/10/84/1029951084.db2.gz AOZBZDWSGAAASW-OAHLLOKOSA-N 2 1 381.476 3.594 20 0 GHADMP COc1ccc(Cn2cc(C[N@@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cn2)cc1 ZINC001222171665 1029988182 /nfs/dbraw/zinc/98/81/82/1029988182.db2.gz CXTZCOQDJYUEAN-QHCPKHFHSA-N 2 1 382.552 3.686 20 0 GHADMP COc1ccc(Cn2cc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cn2)cc1 ZINC001222171665 1029988187 /nfs/dbraw/zinc/98/81/87/1029988187.db2.gz CXTZCOQDJYUEAN-QHCPKHFHSA-N 2 1 382.552 3.686 20 0 GHADMP C[C@@H]1CCC[C@@](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)([NH+](C)C)C1 ZINC001222204446 1030002723 /nfs/dbraw/zinc/00/27/23/1030002723.db2.gz HIOIUKIJJNNACE-XWSHUIEDSA-N 2 1 380.621 3.554 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CCCc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC001222215264 1030009773 /nfs/dbraw/zinc/00/97/73/1030009773.db2.gz AYAJVJZWWCRMLG-GOSISDBHSA-N 2 1 398.469 3.645 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(-c3ccc(O)cc3)cc1)CC[NH2+]CC2 ZINC001222231567 1030023224 /nfs/dbraw/zinc/02/32/24/1030023224.db2.gz NEBUROCYABXURD-QFIPXVFZSA-N 2 1 394.515 3.566 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC001222313773 1030064644 /nfs/dbraw/zinc/06/46/44/1030064644.db2.gz FWKCJOZORCRJQZ-DAYGRLMNSA-N 2 1 399.366 3.522 20 0 GHADMP COC1CCC(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001222574306 1030205714 /nfs/dbraw/zinc/20/57/14/1030205714.db2.gz HTYLTOLPBFUMSF-GTMAMOSYSA-N 2 1 386.580 3.995 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@@H+]2Cc2ccc3c(c2)OCO3)cc1 ZINC001222576111 1030207686 /nfs/dbraw/zinc/20/76/86/1030207686.db2.gz QFJXKBWVPGYEKF-OAQYLSRUSA-N 2 1 394.515 3.719 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)OCO3)cc1 ZINC001222576111 1030207701 /nfs/dbraw/zinc/20/77/01/1030207701.db2.gz QFJXKBWVPGYEKF-OAQYLSRUSA-N 2 1 394.515 3.719 20 0 GHADMP c1cn2cccc(C[N@H+]3[C@H](COCc4ccccc4)CCC34CC[NH2+]CC4)c2n1 ZINC001222582829 1030209287 /nfs/dbraw/zinc/20/92/87/1030209287.db2.gz HWLBCJTUQVZLCE-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP c1[nH]c2cnccc2c1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591621 1030218628 /nfs/dbraw/zinc/21/86/28/1030218628.db2.gz XKVWYWJMFAJJCJ-NRFANRHFSA-N 2 1 390.531 3.866 20 0 GHADMP COc1ccc(-c2cccc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)n2)cc1 ZINC001222601984 1030225978 /nfs/dbraw/zinc/22/59/78/1030225978.db2.gz FIYHWZOWGAALSA-QHCPKHFHSA-N 2 1 385.511 3.946 20 0 GHADMP COc1ccc(-c2cccc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)n2)cc1 ZINC001222601984 1030225990 /nfs/dbraw/zinc/22/59/90/1030225990.db2.gz FIYHWZOWGAALSA-QHCPKHFHSA-N 2 1 385.511 3.946 20 0 GHADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602692 1030227940 /nfs/dbraw/zinc/22/79/40/1030227940.db2.gz XJKQTNRAZHCFQU-HXUWFJFHSA-N 2 1 389.499 3.534 20 0 GHADMP CCOC(=O)c1[nH]c2ccccc2c1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222602692 1030227959 /nfs/dbraw/zinc/22/79/59/1030227959.db2.gz XJKQTNRAZHCFQU-HXUWFJFHSA-N 2 1 389.499 3.534 20 0 GHADMP Clc1cc(-n2cccn2)ccc1C[N@@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609734 1030233726 /nfs/dbraw/zinc/23/37/26/1030233726.db2.gz PWGKKUZEEFOTJX-HXUWFJFHSA-N 2 1 378.907 3.715 20 0 GHADMP Clc1cc(-n2cccn2)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222609734 1030233743 /nfs/dbraw/zinc/23/37/43/1030233743.db2.gz PWGKKUZEEFOTJX-HXUWFJFHSA-N 2 1 378.907 3.715 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150152570 1030430364 /nfs/dbraw/zinc/43/03/64/1030430364.db2.gz AZMHTLXXOBILIW-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001150152570 1030430369 /nfs/dbraw/zinc/43/03/69/1030430369.db2.gz AZMHTLXXOBILIW-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150152570 1030430378 /nfs/dbraw/zinc/43/03/78/1030430378.db2.gz AZMHTLXXOBILIW-AGILITTLSA-N 2 1 391.559 3.535 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001223507488 1030609501 /nfs/dbraw/zinc/60/95/01/1030609501.db2.gz DRDJRKYHYNZJFW-IEBWSBKVSA-N 2 1 390.597 3.591 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC001150921779 1030709139 /nfs/dbraw/zinc/70/91/39/1030709139.db2.gz YUHMDNZWOXNLAW-MAUKXSAKSA-N 2 1 386.367 3.833 20 0 GHADMP C[C@H](Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3)C1CC[NH2+]CC1 ZINC001218009292 1030720431 /nfs/dbraw/zinc/72/04/31/1030720431.db2.gz JYGHGRKQNGESSO-MGPUTAFESA-N 2 1 378.516 3.911 20 0 GHADMP CCC[C@H]1CN(C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001223832227 1030773930 /nfs/dbraw/zinc/77/39/30/1030773930.db2.gz QEEZTMMTHSZWPM-VXKWHMMOSA-N 2 1 386.584 3.557 20 0 GHADMP CCOC(=O)[C@@H](CCc1ccccc1)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218286545 1030870741 /nfs/dbraw/zinc/87/07/41/1030870741.db2.gz KVLKUPNNRUJHMK-HSZRJFAPSA-N 2 1 396.531 3.553 20 0 GHADMP C[NH+](C)C1CCC(Oc2ccc(C[C@H]([NH3+])C(=O)OCc3ccccc3)cc2)CC1 ZINC001218301389 1030879032 /nfs/dbraw/zinc/87/90/32/1030879032.db2.gz HAWBPVVEVVREBQ-SDVLMSEASA-N 2 1 396.531 3.551 20 0 GHADMP C[N@H+]1CCc2cc(Cl)c(O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)cc2[C@@H](c2ccccc2)C1 ZINC001218329796 1030897557 /nfs/dbraw/zinc/89/75/57/1030897557.db2.gz GHYFFBKNFJDVHU-JWUVWSEFSA-N 2 1 382.935 3.947 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001224492087 1031026698 /nfs/dbraw/zinc/02/66/98/1031026698.db2.gz JXLCYQCFMWHDDB-QHAWAJNXSA-N 2 1 392.632 3.698 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)c1ccccc1 ZINC001218726511 1031052648 /nfs/dbraw/zinc/05/26/48/1031052648.db2.gz FOUPEWBKEWKPQJ-IFMALSPDSA-N 2 1 396.535 3.624 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001152051974 1031088557 /nfs/dbraw/zinc/08/85/57/1031088557.db2.gz BKMZEYJPKVAQJK-GOTSBHOMSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001152051974 1031088575 /nfs/dbraw/zinc/08/85/75/1031088575.db2.gz BKMZEYJPKVAQJK-GOTSBHOMSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001152051974 1031088591 /nfs/dbraw/zinc/08/85/91/1031088591.db2.gz BKMZEYJPKVAQJK-GOTSBHOMSA-N 2 1 383.580 3.954 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001152051974 1031088610 /nfs/dbraw/zinc/08/86/10/1031088610.db2.gz BKMZEYJPKVAQJK-GOTSBHOMSA-N 2 1 383.580 3.954 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC001224734824 1031093893 /nfs/dbraw/zinc/09/38/93/1031093893.db2.gz ISZMGYDLUPMMIL-RBUKOAKNSA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001224734824 1031093911 /nfs/dbraw/zinc/09/39/11/1031093911.db2.gz ISZMGYDLUPMMIL-RBUKOAKNSA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001224734824 1031093923 /nfs/dbraw/zinc/09/39/23/1031093923.db2.gz ISZMGYDLUPMMIL-RBUKOAKNSA-N 2 1 380.621 3.697 20 0 GHADMP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001218996746 1031202737 /nfs/dbraw/zinc/20/27/37/1031202737.db2.gz NWYGNIFZAVEQBU-KWLQHXCVSA-N 2 1 375.516 3.757 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001153638972 1031683836 /nfs/dbraw/zinc/68/38/36/1031683836.db2.gz ZBLYVUDFUJHSBQ-UWJYYQICSA-N 2 1 376.504 3.541 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001220062308 1031760542 /nfs/dbraw/zinc/76/05/42/1031760542.db2.gz UKVLIHFHPNNSOU-WMZHIEFXSA-N 2 1 379.548 3.604 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC001220062309 1031761474 /nfs/dbraw/zinc/76/14/74/1031761474.db2.gz UKVLIHFHPNNSOU-XXBNENTESA-N 2 1 379.548 3.604 20 0 GHADMP C[C@H](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCCCC1 ZINC001226093067 1031785351 /nfs/dbraw/zinc/78/53/51/1031785351.db2.gz UYICNZCEBLXFBK-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCC(C)CC1 ZINC001220614424 1032014215 /nfs/dbraw/zinc/01/42/15/1032014215.db2.gz IXNWWICLRAEYEB-FCHUYYIVSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001229185330 1033327527 /nfs/dbraw/zinc/32/75/27/1033327527.db2.gz JTBUIEFQGWXCOG-LSWJPFSZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001229185330 1033327540 /nfs/dbraw/zinc/32/75/40/1033327540.db2.gz JTBUIEFQGWXCOG-LSWJPFSZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001229185330 1033327559 /nfs/dbraw/zinc/32/75/59/1033327559.db2.gz JTBUIEFQGWXCOG-LSWJPFSZSA-N 2 1 398.595 3.603 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc(OCc2ccccc2)c1OC ZINC001205289473 1033343048 /nfs/dbraw/zinc/34/30/48/1033343048.db2.gz YCGDTARSGNHQNI-QHCPKHFHSA-N 2 1 384.520 3.986 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc(OCc2ccccc2)c1OC ZINC001205289473 1033343057 /nfs/dbraw/zinc/34/30/57/1033343057.db2.gz YCGDTARSGNHQNI-QHCPKHFHSA-N 2 1 384.520 3.986 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H]1C[NH3+] ZINC001205303298 1033350552 /nfs/dbraw/zinc/35/05/52/1033350552.db2.gz CIIDSSAYLZBEHL-OCCSQVGLSA-N 2 1 380.355 3.989 20 0 GHADMP Cc1cc(N2CCCC2)nc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)[nH+]1 ZINC001157059783 1033394710 /nfs/dbraw/zinc/39/47/10/1033394710.db2.gz OEPBFSASRANCKP-UHFFFAOYSA-N 2 1 383.515 3.625 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC001205446408 1033415016 /nfs/dbraw/zinc/41/50/16/1033415016.db2.gz KHBCDMAUTRFVFY-ZRGHIBABSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC12CC([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC001205554148 1033466276 /nfs/dbraw/zinc/46/62/76/1033466276.db2.gz AKSNLTJUAPPELB-GYCHQTGJSA-N 2 1 377.573 3.819 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)ccc1OC(=O)c1cccs1 ZINC001205617282 1033493698 /nfs/dbraw/zinc/49/36/98/1033493698.db2.gz ITGWOHLRCBCWLF-NVXWUHKLSA-N 2 1 388.533 3.783 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc1-2 ZINC001205788064 1033571492 /nfs/dbraw/zinc/57/14/92/1033571492.db2.gz LCBGFRUBOMHIRP-KRWDZBQOSA-N 2 1 394.462 3.890 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)ccc1-2 ZINC001205788064 1033571498 /nfs/dbraw/zinc/57/14/98/1033571498.db2.gz LCBGFRUBOMHIRP-KRWDZBQOSA-N 2 1 394.462 3.890 20 0 GHADMP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)[C@H](c2ccccc2)C1 ZINC001157495679 1033619510 /nfs/dbraw/zinc/61/95/10/1033619510.db2.gz KMKWYDSNVIWPIB-VWNXMTODSA-N 2 1 387.527 3.615 20 0 GHADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])Cc2cccc3ccccc32)[C@H](c2ccccc2)C1 ZINC001157495679 1033619516 /nfs/dbraw/zinc/61/95/16/1033619516.db2.gz KMKWYDSNVIWPIB-VWNXMTODSA-N 2 1 387.527 3.615 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC001205912677 1033632077 /nfs/dbraw/zinc/63/20/77/1033632077.db2.gz BIXKBFVDKKNELO-XLIONFOSSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC001205912677 1033632093 /nfs/dbraw/zinc/63/20/93/1033632093.db2.gz BIXKBFVDKKNELO-XLIONFOSSA-N 2 1 384.520 3.842 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)CCC[C@H]1C[NH3+] ZINC001205996210 1033676281 /nfs/dbraw/zinc/67/62/81/1033676281.db2.gz WAZUMNKKQABHKF-STQMWFEESA-N 2 1 386.487 3.974 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC001206025324 1033692856 /nfs/dbraw/zinc/69/28/56/1033692856.db2.gz NLUZSSXGMRNUOU-NQIIRXRSSA-N 2 1 396.531 3.859 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC001206248610 1033775528 /nfs/dbraw/zinc/77/55/28/1033775528.db2.gz ZQOHYBFMHSAFKS-CQSZACIVSA-N 2 1 382.346 3.630 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC001206248610 1033775540 /nfs/dbraw/zinc/77/55/40/1033775540.db2.gz ZQOHYBFMHSAFKS-CQSZACIVSA-N 2 1 382.346 3.630 20 0 GHADMP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(OC(F)(F)F)cc2Br)C1 ZINC001206640375 1033931782 /nfs/dbraw/zinc/93/17/82/1033931782.db2.gz JGVRRDOVNXTSKS-LLVKDONJSA-N 2 1 381.236 3.909 20 0 GHADMP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2Br)C1 ZINC001206640375 1033931789 /nfs/dbraw/zinc/93/17/89/1033931789.db2.gz JGVRRDOVNXTSKS-LLVKDONJSA-N 2 1 381.236 3.909 20 0 GHADMP COc1ccc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001206716858 1033955292 /nfs/dbraw/zinc/95/52/92/1033955292.db2.gz HELGMCYPBLFVDA-UHFFFAOYSA-N 2 1 380.532 3.907 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(Br)ccnc2Cl)CC1 ZINC001206755502 1033970365 /nfs/dbraw/zinc/97/03/65/1033970365.db2.gz KRLQLXXJHYEGTA-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2ccc(F)c(Cl)n2)c1 ZINC001158321498 1034021552 /nfs/dbraw/zinc/02/15/52/1034021552.db2.gz ZWXWMFHFZPZACY-UHFFFAOYSA-N 2 1 386.805 3.586 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccnn4C(C)C)CC3)C2)cc1 ZINC001207172934 1034144585 /nfs/dbraw/zinc/14/45/85/1034144585.db2.gz VEYWMPYVCDSVTP-UHFFFAOYSA-N 2 1 382.552 3.639 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211103 1034179071 /nfs/dbraw/zinc/17/90/71/1034179071.db2.gz ZSGQMNVSAWFVPB-VSKRKVRLSA-N 2 1 399.579 3.616 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211103 1034179078 /nfs/dbraw/zinc/17/90/78/1034179078.db2.gz ZSGQMNVSAWFVPB-VSKRKVRLSA-N 2 1 399.579 3.616 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CCN(C(=O)OC(C)(C)C)C4)C[C@H]3C2)cc1 ZINC001207211103 1034179083 /nfs/dbraw/zinc/17/90/83/1034179083.db2.gz ZSGQMNVSAWFVPB-VSKRKVRLSA-N 2 1 399.579 3.616 20 0 GHADMP Cc1cnccc1O[C@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001207223872 1034190147 /nfs/dbraw/zinc/19/01/47/1034190147.db2.gz BPXMQHTWZULXLJ-IBGZPJMESA-N 2 1 389.540 3.880 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CCC3CCCCC3)O2)CC1 ZINC001207259525 1034218866 /nfs/dbraw/zinc/21/88/66/1034218866.db2.gz MGMUOUQMYLDJSZ-DNVJHFABSA-N 2 1 378.601 3.937 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207289309 1034240166 /nfs/dbraw/zinc/24/01/66/1034240166.db2.gz KKLZRDNOSOKRJE-FGZHOGPDSA-N 2 1 399.579 3.840 20 0 GHADMP CN1c2ccccc2[C@]2(CC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)C1=O ZINC001207290374 1034240560 /nfs/dbraw/zinc/24/05/60/1034240560.db2.gz AUIHRMUEWXEESA-RUZDIDTESA-N 2 1 389.543 3.519 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC3CC[NH+](Cc4ccccc4)CC3)O2)n1 ZINC001207291454 1034242826 /nfs/dbraw/zinc/24/28/26/1034242826.db2.gz REFMMFCWIISFIQ-VSKRKVRLSA-N 2 1 396.535 3.585 20 0 GHADMP Cc1cnc(O[C@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001207295298 1034249186 /nfs/dbraw/zinc/24/91/86/1034249186.db2.gz MAUJGUSKUVHBBB-QFIPXVFZSA-N 2 1 380.536 3.540 20 0 GHADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475628 1034386410 /nfs/dbraw/zinc/38/64/10/1034386410.db2.gz IWLFFWSHFFJZDN-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475628 1034386423 /nfs/dbraw/zinc/38/64/23/1034386423.db2.gz IWLFFWSHFFJZDN-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475628 1034386430 /nfs/dbraw/zinc/38/64/30/1034386430.db2.gz IWLFFWSHFFJZDN-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475628 1034386437 /nfs/dbraw/zinc/38/64/37/1034386437.db2.gz IWLFFWSHFFJZDN-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1ccc(CC[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001207475628 1034386446 /nfs/dbraw/zinc/38/64/46/1034386446.db2.gz IWLFFWSHFFJZDN-TUACAJSNSA-N 2 1 379.548 3.865 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001231105145 1034399192 /nfs/dbraw/zinc/39/91/92/1034399192.db2.gz APFYFTPZNXZRSQ-OAQYLSRUSA-N 2 1 378.605 3.691 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC001231107082 1034402236 /nfs/dbraw/zinc/40/22/36/1034402236.db2.gz PZWFZOPZNJNFTL-OAQYLSRUSA-N 2 1 386.584 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC001231107082 1034402244 /nfs/dbraw/zinc/40/22/44/1034402244.db2.gz PZWFZOPZNJNFTL-OAQYLSRUSA-N 2 1 386.584 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001231107082 1034402254 /nfs/dbraw/zinc/40/22/54/1034402254.db2.gz PZWFZOPZNJNFTL-OAQYLSRUSA-N 2 1 386.584 3.603 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1SC ZINC001207566556 1034455468 /nfs/dbraw/zinc/45/54/68/1034455468.db2.gz GTGUEWZOAWGTNO-INIZCTEOSA-N 2 1 399.004 3.942 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](CCCc3ccccc3)C[C@H]2CC(C)C)CC[N@H+]1C ZINC001159207318 1034482568 /nfs/dbraw/zinc/48/25/68/1034482568.db2.gz CAPIVNWIYYWRBT-TZRRMPRUSA-N 2 1 399.623 3.908 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@H+](CCCc3ccccc3)C[C@H]2CC(C)C)CC[NH+]1C ZINC001159207318 1034482576 /nfs/dbraw/zinc/48/25/76/1034482576.db2.gz CAPIVNWIYYWRBT-TZRRMPRUSA-N 2 1 399.623 3.908 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N2CC[N@@H+](CCCc3ccccc3)C[C@H]2CC(C)C)CC[NH+]1C ZINC001159207318 1034482584 /nfs/dbraw/zinc/48/25/84/1034482584.db2.gz CAPIVNWIYYWRBT-TZRRMPRUSA-N 2 1 399.623 3.908 20 0 GHADMP C[N@@H+](C[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC[NH+](C2CCCCC2)CC1 ZINC001207788720 1034576696 /nfs/dbraw/zinc/57/66/96/1034576696.db2.gz JUQLNMRODZVWCP-MZADTFQBSA-N 2 1 391.600 3.828 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC001207793607 1034579418 /nfs/dbraw/zinc/57/94/18/1034579418.db2.gz OSDIZUMEBGJUHD-SXYSDOLCSA-N 2 1 385.552 3.685 20 0 GHADMP CN(C)c1ccc2cc(C[NH+]3CCC([N@H+](C)C4CCOCC4)CC3)ccc2c1 ZINC001231442471 1034592163 /nfs/dbraw/zinc/59/21/63/1034592163.db2.gz OHCNSBIGXBGKPE-UHFFFAOYSA-N 2 1 381.564 3.981 20 0 GHADMP CN(C)c1ccc2cc(C[NH+]3CCC([N@@H+](C)C4CCOCC4)CC3)ccc2c1 ZINC001231442471 1034592170 /nfs/dbraw/zinc/59/21/70/1034592170.db2.gz OHCNSBIGXBGKPE-UHFFFAOYSA-N 2 1 381.564 3.981 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2[C@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207821629 1034599777 /nfs/dbraw/zinc/59/97/77/1034599777.db2.gz JVTDNXGVSHPNGW-NVXWUHKLSA-N 2 1 389.531 3.541 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2[C@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207821629 1034599784 /nfs/dbraw/zinc/59/97/84/1034599784.db2.gz JVTDNXGVSHPNGW-NVXWUHKLSA-N 2 1 389.531 3.541 20 0 GHADMP [NH3+]C1CC[NH+](CCc2cn(-c3cc(Cl)nc4[nH]cnc43)c3ccccc23)CC1 ZINC001159460180 1034606443 /nfs/dbraw/zinc/60/64/43/1034606443.db2.gz CVJSZFYROAFODA-UHFFFAOYSA-N 2 1 394.910 3.521 20 0 GHADMP Cc1ccc(CCC[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)o1 ZINC001207946536 1034674659 /nfs/dbraw/zinc/67/46/59/1034674659.db2.gz IHSZWAGTOBFQMA-UHFFFAOYSA-N 2 1 383.536 3.530 20 0 GHADMP Fc1cccc(F)c1CC[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001208115811 1034742249 /nfs/dbraw/zinc/74/22/49/1034742249.db2.gz UCTPTTVFCZTLDQ-UHFFFAOYSA-N 2 1 392.515 3.936 20 0 GHADMP Fc1cccc(F)c1CC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001208115811 1034742265 /nfs/dbraw/zinc/74/22/65/1034742265.db2.gz UCTPTTVFCZTLDQ-UHFFFAOYSA-N 2 1 392.515 3.936 20 0 GHADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153289 1034756170 /nfs/dbraw/zinc/75/61/70/1034756170.db2.gz FAHCTSMPDNZILS-JMUQELJHSA-N 2 1 383.536 3.700 20 0 GHADMP Cc1ccc([C@H](C)CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153289 1034756185 /nfs/dbraw/zinc/75/61/85/1034756185.db2.gz FAHCTSMPDNZILS-JMUQELJHSA-N 2 1 383.536 3.700 20 0 GHADMP Cc1ccc([C@H](C)CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153289 1034756200 /nfs/dbraw/zinc/75/62/00/1034756200.db2.gz FAHCTSMPDNZILS-JMUQELJHSA-N 2 1 383.536 3.700 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1n[nH]c3cc(Br)ccc31)CC2 ZINC001231614658 1034769555 /nfs/dbraw/zinc/76/95/55/1034769555.db2.gz CIEYWHMVZRWDDK-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP CC/C=C\CCCCC[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001208189788 1034784875 /nfs/dbraw/zinc/78/48/75/1034784875.db2.gz BDVXVCBKDMBDCF-ARJAWSKDSA-N 2 1 389.588 3.623 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(C)C ZINC001231626816 1034787089 /nfs/dbraw/zinc/78/70/89/1034787089.db2.gz MSDFYBSWJNGCFI-IFMALSPDSA-N 2 1 396.579 3.814 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(C)C ZINC001231626816 1034787104 /nfs/dbraw/zinc/78/71/04/1034787104.db2.gz MSDFYBSWJNGCFI-IFMALSPDSA-N 2 1 396.579 3.814 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(C)C ZINC001231626816 1034787119 /nfs/dbraw/zinc/78/71/19/1034787119.db2.gz MSDFYBSWJNGCFI-IFMALSPDSA-N 2 1 396.579 3.814 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(C)C ZINC001231626816 1034787133 /nfs/dbraw/zinc/78/71/33/1034787133.db2.gz MSDFYBSWJNGCFI-IFMALSPDSA-N 2 1 396.579 3.814 20 0 GHADMP [NH3+]C1CCN(c2c(F)cccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001160104885 1034861945 /nfs/dbraw/zinc/86/19/45/1034861945.db2.gz JAHDUJOUYUTIGO-UHFFFAOYSA-N 2 1 380.511 3.955 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(NCc2ccccc2N2CC[NH2+]CC2)nc1 ZINC001160115356 1034867769 /nfs/dbraw/zinc/86/77/69/1034867769.db2.gz HAVHQOPDPOQHII-OAQYLSRUSA-N 2 1 379.552 3.650 20 0 GHADMP CCN(CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578311 1034937963 /nfs/dbraw/zinc/93/79/63/1034937963.db2.gz SXJICIWIPSADQD-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578311 1034937965 /nfs/dbraw/zinc/93/79/65/1034937965.db2.gz SXJICIWIPSADQD-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578311 1034937967 /nfs/dbraw/zinc/93/79/67/1034937967.db2.gz SXJICIWIPSADQD-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578311 1034937971 /nfs/dbraw/zinc/93/79/71/1034937971.db2.gz SXJICIWIPSADQD-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CCN(CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(=O)OC(C)(C)C ZINC001208578311 1034937975 /nfs/dbraw/zinc/93/79/75/1034937975.db2.gz SXJICIWIPSADQD-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001208582849 1034940908 /nfs/dbraw/zinc/94/09/08/1034940908.db2.gz PIVCECCYMHBERR-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCC(COCC[NH+]3CCCC3)CC2)cc1 ZINC001208582849 1034940911 /nfs/dbraw/zinc/94/09/11/1034940911.db2.gz PIVCECCYMHBERR-RUZDIDTESA-N 2 1 399.623 3.866 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(C[C@@H]3CCCC[NH+]3Cc3ccccc3)C2)C1 ZINC001208585577 1034942458 /nfs/dbraw/zinc/94/24/58/1034942458.db2.gz MFLKKQBRACHFKZ-LOSJGSFVSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN(C[C@@H]3CCCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC001208585577 1034942468 /nfs/dbraw/zinc/94/24/68/1034942468.db2.gz MFLKKQBRACHFKZ-LOSJGSFVSA-N 2 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)C1 ZINC001208585577 1034942473 /nfs/dbraw/zinc/94/24/73/1034942473.db2.gz MFLKKQBRACHFKZ-LOSJGSFVSA-N 2 1 399.623 3.864 20 0 GHADMP CN(C)C1=NOC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)c(F)c1F)CC2 ZINC001231856788 1034945437 /nfs/dbraw/zinc/94/54/37/1034945437.db2.gz YOWVYOHMXYNFFA-UHFFFAOYSA-N 2 1 377.357 3.614 20 0 GHADMP C[C@@H](CC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1)CC(C)(C)C ZINC001208652545 1034968841 /nfs/dbraw/zinc/96/88/41/1034968841.db2.gz BVAGOTTYWUALQW-FKVLARQCSA-N 2 1 387.616 3.915 20 0 GHADMP C[C@@H](CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)CC(C)(C)C ZINC001208652545 1034968845 /nfs/dbraw/zinc/96/88/45/1034968845.db2.gz BVAGOTTYWUALQW-FKVLARQCSA-N 2 1 387.616 3.915 20 0 GHADMP C[C@@H](CC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1)CC(C)(C)C ZINC001208652545 1034968852 /nfs/dbraw/zinc/96/88/52/1034968852.db2.gz BVAGOTTYWUALQW-FKVLARQCSA-N 2 1 387.616 3.915 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](C)c3cccc4ccccc43)CC[C@@H]2C1 ZINC001208711117 1034989769 /nfs/dbraw/zinc/98/97/69/1034989769.db2.gz QZOSLLBGODBXPU-ZILOHOTNSA-N 2 1 382.548 3.612 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](C)c3cccc4ccccc43)CC[C@@H]2C1 ZINC001208711117 1034989772 /nfs/dbraw/zinc/98/97/72/1034989772.db2.gz QZOSLLBGODBXPU-ZILOHOTNSA-N 2 1 382.548 3.612 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](C)c3cccc4ccccc43)CC[C@@H]2C1 ZINC001208711117 1034989780 /nfs/dbraw/zinc/98/97/80/1034989780.db2.gz QZOSLLBGODBXPU-ZILOHOTNSA-N 2 1 382.548 3.612 20 0 GHADMP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001160595648 1035012924 /nfs/dbraw/zinc/01/29/24/1035012924.db2.gz RTCCSLYFWCCLBL-DYXWJJEUSA-N 2 1 385.596 3.653 20 0 GHADMP Cc1cc(F)ncc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001231981766 1035021046 /nfs/dbraw/zinc/02/10/46/1035021046.db2.gz NEEKPPJCQXZVTH-SFHVURJKSA-N 2 1 389.540 3.846 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C[C@H](C)C(F)(F)F)CC2 ZINC001208886322 1035075687 /nfs/dbraw/zinc/07/56/87/1035075687.db2.gz BNXCVQBRKKPWSE-FUHWJXTLSA-N 2 1 385.474 3.583 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC001160908658 1035090801 /nfs/dbraw/zinc/09/08/01/1035090801.db2.gz ZOAWLWPTHQPEII-GOSISDBHSA-N 2 1 381.520 3.721 20 0 GHADMP COc1ccccc1C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937566 1035105260 /nfs/dbraw/zinc/10/52/60/1035105260.db2.gz UNRJSFAGMCWWHW-QHCPKHFHSA-N 2 1 393.575 3.725 20 0 GHADMP COc1ccccc1C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937566 1035105264 /nfs/dbraw/zinc/10/52/64/1035105264.db2.gz UNRJSFAGMCWWHW-QHCPKHFHSA-N 2 1 393.575 3.725 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941767 1035112143 /nfs/dbraw/zinc/11/21/43/1035112143.db2.gz NAZMSMZXYBLCDH-FPOVZHCZSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941767 1035112147 /nfs/dbraw/zinc/11/21/47/1035112147.db2.gz NAZMSMZXYBLCDH-FPOVZHCZSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941767 1035112149 /nfs/dbraw/zinc/11/21/49/1035112149.db2.gz NAZMSMZXYBLCDH-FPOVZHCZSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941767 1035112153 /nfs/dbraw/zinc/11/21/53/1035112153.db2.gz NAZMSMZXYBLCDH-FPOVZHCZSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)c1 ZINC001232144409 1035121408 /nfs/dbraw/zinc/12/14/08/1035121408.db2.gz KJSPHHVRTDJZOO-JOCHJYFZSA-N 2 1 391.531 3.863 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c1 ZINC001232144658 1035121617 /nfs/dbraw/zinc/12/16/17/1035121617.db2.gz MSVXBIZPVZVBIA-AZUAARDMSA-N 2 1 391.531 3.719 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952783 1035125515 /nfs/dbraw/zinc/12/55/15/1035125515.db2.gz LKRRMZMNWHWGSZ-PLQXJYEYSA-N 2 1 377.576 3.962 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952783 1035125522 /nfs/dbraw/zinc/12/55/22/1035125522.db2.gz LKRRMZMNWHWGSZ-PLQXJYEYSA-N 2 1 377.576 3.962 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952783 1035125525 /nfs/dbraw/zinc/12/55/25/1035125525.db2.gz LKRRMZMNWHWGSZ-PLQXJYEYSA-N 2 1 377.576 3.962 20 0 GHADMP CCn1c2ccccc2nc1N1CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232148421 1035126671 /nfs/dbraw/zinc/12/66/71/1035126671.db2.gz CKLOWCMLIKQLHR-UHFFFAOYSA-N 2 1 395.526 3.579 20 0 GHADMP CCOC(=O)c1coc(C2CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208961047 1035133655 /nfs/dbraw/zinc/13/36/55/1035133655.db2.gz YCVUVCVVEAMMMT-LJQANCHMSA-N 2 1 397.519 3.553 20 0 GHADMP CCOC(=O)c1coc(C2CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC001208961047 1035133660 /nfs/dbraw/zinc/13/36/60/1035133660.db2.gz YCVUVCVVEAMMMT-LJQANCHMSA-N 2 1 397.519 3.553 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](CCOC(=O)c1ccccc1)CC2 ZINC001209043801 1035156087 /nfs/dbraw/zinc/15/60/87/1035156087.db2.gz WUUZEJXEBPATQL-OAQYLSRUSA-N 2 1 382.504 3.813 20 0 GHADMP O=C(OCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001209048505 1035157595 /nfs/dbraw/zinc/15/75/95/1035157595.db2.gz XEZBROVHPBUPLM-DHIUTWEWSA-N 2 1 378.516 3.687 20 0 GHADMP O=C(OCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001209048505 1035157605 /nfs/dbraw/zinc/15/76/05/1035157605.db2.gz XEZBROVHPBUPLM-DHIUTWEWSA-N 2 1 378.516 3.687 20 0 GHADMP O=C(OCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC001209048505 1035157613 /nfs/dbraw/zinc/15/76/13/1035157613.db2.gz XEZBROVHPBUPLM-DHIUTWEWSA-N 2 1 378.516 3.687 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccn1Cc1ccccc1)C2 ZINC001232234744 1035175553 /nfs/dbraw/zinc/17/55/53/1035175553.db2.gz XSPWXHYFNBLBST-NOZRDPDXSA-N 2 1 393.575 3.717 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccn1Cc1ccccc1)C2 ZINC001232234744 1035175556 /nfs/dbraw/zinc/17/55/56/1035175556.db2.gz XSPWXHYFNBLBST-NOZRDPDXSA-N 2 1 393.575 3.717 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccn1Cc1ccccc1)C2 ZINC001232234744 1035175560 /nfs/dbraw/zinc/17/55/60/1035175560.db2.gz XSPWXHYFNBLBST-NOZRDPDXSA-N 2 1 393.575 3.717 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccn1Cc1ccccc1)C2 ZINC001232234744 1035175564 /nfs/dbraw/zinc/17/55/64/1035175564.db2.gz XSPWXHYFNBLBST-NOZRDPDXSA-N 2 1 393.575 3.717 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(CCc3cc(F)cc(F)c3)CC[C@@H]21 ZINC001209130188 1035186005 /nfs/dbraw/zinc/18/60/05/1035186005.db2.gz MOFWZRYVEZGNQF-COPCDDAFSA-N 2 1 388.506 3.577 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](CCc1cccs1)CC2 ZINC001209223173 1035209840 /nfs/dbraw/zinc/20/98/40/1035209840.db2.gz UHAFFMNLGKVQNI-HXUWFJFHSA-N 2 1 392.609 3.520 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CCc1cccs1)CC2 ZINC001209223324 1035211065 /nfs/dbraw/zinc/21/10/65/1035211065.db2.gz WSZQQHMLNUILEM-FQEVSTJZSA-N 2 1 385.577 3.689 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001209367375 1035256030 /nfs/dbraw/zinc/25/60/30/1035256030.db2.gz MLWJJXJLQXLFNA-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209367375 1035256035 /nfs/dbraw/zinc/25/60/35/1035256035.db2.gz MLWJJXJLQXLFNA-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001209367375 1035256038 /nfs/dbraw/zinc/25/60/38/1035256038.db2.gz MLWJJXJLQXLFNA-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](CCCCCNC(=O)OC(C)(C)C)CC1 ZINC001209371545 1035257940 /nfs/dbraw/zinc/25/79/40/1035257940.db2.gz XOEWWTWHCDXILZ-UHFFFAOYSA-N 2 1 376.545 3.624 20 0 GHADMP C[C@@H]1CC(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)C[C@@H](C)O1 ZINC001209378629 1035261644 /nfs/dbraw/zinc/26/16/44/1035261644.db2.gz DKPHASQEDMJXCF-VIZSFHNOSA-N 2 1 386.580 3.946 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)C[C@H](C)O1 ZINC001209378626 1035262153 /nfs/dbraw/zinc/26/21/53/1035262153.db2.gz DKPHASQEDMJXCF-IRMYBRCSSA-N 2 1 386.580 3.946 20 0 GHADMP CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209450816 1035277237 /nfs/dbraw/zinc/27/72/37/1035277237.db2.gz RLCXZUBECJAGDA-JOCHJYFZSA-N 2 1 383.580 3.733 20 0 GHADMP CC[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459873 1035279353 /nfs/dbraw/zinc/27/93/53/1035279353.db2.gz APEPKRTYDAKOJI-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@@H](C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459873 1035279355 /nfs/dbraw/zinc/27/93/55/1035279355.db2.gz APEPKRTYDAKOJI-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@@H](C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459873 1035279357 /nfs/dbraw/zinc/27/93/57/1035279357.db2.gz APEPKRTYDAKOJI-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP CC[C@@H](C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NC(=O)OC(C)(C)C ZINC001209459873 1035279360 /nfs/dbraw/zinc/27/93/60/1035279360.db2.gz APEPKRTYDAKOJI-REWPJTCUSA-N 2 1 387.568 3.888 20 0 GHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001461988792 1069931337 /nfs/dbraw/zinc/93/13/37/1069931337.db2.gz LBQWDLKJRFHJAV-BUNPMSMLSA-N 2 1 384.564 3.999 20 0 GHADMP C[NH+](C)CCOc1ccc(-c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)cc1 ZINC001242150783 1035834008 /nfs/dbraw/zinc/83/40/08/1035834008.db2.gz QPROAVFRPMAEPN-SVMVAKDDSA-N 2 1 376.504 3.983 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CCN(Cc3cccc4nc(C)ccc34)CC2)CC1 ZINC001248555626 1035952124 /nfs/dbraw/zinc/95/21/24/1035952124.db2.gz DMDVZBYHRPMDBK-UHFFFAOYSA-N 2 1 395.547 3.783 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(CC)[C@H]1CC[NH+](CC)C1)c1ccc(Cl)cc1 ZINC001248630119 1036007958 /nfs/dbraw/zinc/00/79/58/1036007958.db2.gz XNQCSPKXPKUPLD-PMACEKPBSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(CC)[C@H]1CC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC001248630119 1036007974 /nfs/dbraw/zinc/00/79/74/1036007974.db2.gz XNQCSPKXPKUPLD-PMACEKPBSA-N 2 1 394.991 3.849 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1 ZINC001248630119 1036007994 /nfs/dbraw/zinc/00/79/94/1036007994.db2.gz XNQCSPKXPKUPLD-PMACEKPBSA-N 2 1 394.991 3.849 20 0 GHADMP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001245962092 1037084584 /nfs/dbraw/zinc/08/45/84/1037084584.db2.gz RRQIFVBKNGYNJS-LOSJGSFVSA-N 2 1 387.527 3.545 20 0 GHADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1ccccc1F ZINC001245993252 1037115163 /nfs/dbraw/zinc/11/51/63/1037115163.db2.gz LPHNKPIGMZWZJU-PWRODBHTSA-N 2 1 380.454 3.712 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246023112 1037141286 /nfs/dbraw/zinc/14/12/86/1037141286.db2.gz LRRQKMBSHNHFNW-VXKWHMMOSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001246023112 1037141300 /nfs/dbraw/zinc/14/13/00/1037141300.db2.gz LRRQKMBSHNHFNW-VXKWHMMOSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1 ZINC001246053205 1037164826 /nfs/dbraw/zinc/16/48/26/1037164826.db2.gz QRCFSMRCCONUSY-DENIHFKCSA-N 2 1 388.596 3.968 20 0 GHADMP CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067919 1037179651 /nfs/dbraw/zinc/17/96/51/1037179651.db2.gz QJYSQMOHLVNYCD-PRTQVNTJSA-N 2 1 391.600 3.747 20 0 GHADMP Cc1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068292 1037182853 /nfs/dbraw/zinc/18/28/53/1037182853.db2.gz ICYMSPCSBLFTHL-VABKMULXSA-N 2 1 382.548 3.815 20 0 GHADMP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N[C@@H]3C[NH2+]CCOC3)CC2)cc1 ZINC001246092797 1037193322 /nfs/dbraw/zinc/19/33/22/1037193322.db2.gz KFDBMCNDEJGYJM-OADZCNSWSA-N 2 1 393.575 3.578 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246122365 1037200205 /nfs/dbraw/zinc/20/02/05/1037200205.db2.gz AGVQAWAACXCDAS-MBSDFSHPSA-N 2 1 383.580 3.758 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246122365 1037200223 /nfs/dbraw/zinc/20/02/23/1037200223.db2.gz AGVQAWAACXCDAS-MBSDFSHPSA-N 2 1 383.580 3.758 20 0 GHADMP F[C@@H]1CNC[C@@H]1[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246128333 1037206780 /nfs/dbraw/zinc/20/67/80/1037206780.db2.gz RYVHWHOTRGDSCP-ZQHBMWIYSA-N 2 1 381.539 3.900 20 0 GHADMP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246141303 1037212392 /nfs/dbraw/zinc/21/23/92/1037212392.db2.gz PYJMQVXEYBJMCI-OIBXWCBGSA-N 3 1 379.523 3.975 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246162460 1037218288 /nfs/dbraw/zinc/21/82/88/1037218288.db2.gz YRTAKENFXZACFF-ZYSHUDEJSA-N 2 1 381.358 3.661 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC001246180672 1037224660 /nfs/dbraw/zinc/22/46/60/1037224660.db2.gz QOXWRINNOQODCS-OFNKIYASSA-N 3 1 385.527 3.657 20 0 GHADMP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001246202228 1037236000 /nfs/dbraw/zinc/23/60/00/1037236000.db2.gz SQWGSALKFHUWKK-NMNUPHIUSA-N 2 1 380.532 3.728 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246273140 1037268302 /nfs/dbraw/zinc/26/83/02/1037268302.db2.gz SJZPLGLWMDKEDQ-UEXGIBASSA-N 2 1 376.903 3.774 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]CCC2CCC3(CC2)OCCO3)CC[NH2+]1 ZINC001246316517 1037292416 /nfs/dbraw/zinc/29/24/16/1037292416.db2.gz HAFYMTPZSLYGIX-CTNGQTDRSA-N 2 1 376.516 3.840 20 0 GHADMP C[C@H](C[NH3+])CN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322141 1037294785 /nfs/dbraw/zinc/29/47/85/1037294785.db2.gz FRJQHYMKIAPGBQ-KMRPREKFSA-N 2 1 377.576 3.936 20 0 GHADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322141 1037294793 /nfs/dbraw/zinc/29/47/93/1037294793.db2.gz FRJQHYMKIAPGBQ-KMRPREKFSA-N 3 1 377.576 3.936 20 0 GHADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322141 1037294809 /nfs/dbraw/zinc/29/48/09/1037294809.db2.gz FRJQHYMKIAPGBQ-KMRPREKFSA-N 3 1 377.576 3.936 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC[NH2+]1 ZINC001246353872 1037312167 /nfs/dbraw/zinc/31/21/67/1037312167.db2.gz VWPSSTGGTYMFHB-KPFFTGBYSA-N 2 1 399.535 3.575 20 0 GHADMP CC[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246362979 1037322047 /nfs/dbraw/zinc/32/20/47/1037322047.db2.gz VNTVZFDGZZSFCR-UXHICEINSA-N 2 1 394.401 3.781 20 0 GHADMP COc1ccc(C2(N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246381480 1037340998 /nfs/dbraw/zinc/34/09/98/1037340998.db2.gz RZTSTANZZZDJSM-REWPJTCUSA-N 2 1 393.575 3.917 20 0 GHADMP Clc1ccccc1CC1(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246388890 1037350059 /nfs/dbraw/zinc/35/00/59/1037350059.db2.gz HNYGWAFKLLBMPI-NRFANRHFSA-N 2 1 383.967 3.869 20 0 GHADMP Clc1ccccc1CC1([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246388890 1037350072 /nfs/dbraw/zinc/35/00/72/1037350072.db2.gz HNYGWAFKLLBMPI-NRFANRHFSA-N 2 1 383.967 3.869 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001246431892 1037393256 /nfs/dbraw/zinc/39/32/56/1037393256.db2.gz WIAQMEIUKVWSST-HNNXBMFYSA-N 2 1 385.474 3.521 20 0 GHADMP C[C@H]1C[C@@H](NC2(Cc3cccc(F)c3)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246457382 1037416694 /nfs/dbraw/zinc/41/66/94/1037416694.db2.gz KCGWKBYHZSFQEY-WMZHIEFXSA-N 2 1 381.539 3.743 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCc1ccccc1 ZINC001246484791 1037430240 /nfs/dbraw/zinc/43/02/40/1037430240.db2.gz JCFSFNYASWOWSV-RCCFBDPRSA-N 2 1 386.458 3.938 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CCc2cccc(F)c2C1)C(=O)OCc1ccccc1 ZINC001246489143 1037435481 /nfs/dbraw/zinc/43/54/81/1037435481.db2.gz WWIZYXCNHGGZDN-DENIHFKCSA-N 2 1 384.495 3.514 20 0 GHADMP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1 ZINC001246502531 1037444492 /nfs/dbraw/zinc/44/44/92/1037444492.db2.gz XBVCRQVGOHMBPG-UWVAXJGDSA-N 2 1 379.331 3.980 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCC[C@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246610650 1037504340 /nfs/dbraw/zinc/50/43/40/1037504340.db2.gz QXFYDUPLVIRBIR-YCSHWKNNSA-N 2 1 381.564 3.535 20 0 GHADMP CCC[C@H]1CC[C@H](C2CCC([N@H+]3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)CC2)CC1 ZINC001246629881 1037518453 /nfs/dbraw/zinc/51/84/53/1037518453.db2.gz QLEPBZFPRDVDCD-QTDGGUPXSA-N 2 1 387.612 3.563 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)C[N@@H+]1Cc1ccccc1 ZINC001246639494 1037523018 /nfs/dbraw/zinc/52/30/18/1037523018.db2.gz OTTJHEQLEJLPAR-NFBKMPQASA-N 2 1 375.560 3.786 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC3(CC2)C[NH2+]Cc2ccccc23)C[N@H+]1Cc1ccccc1 ZINC001246639494 1037523026 /nfs/dbraw/zinc/52/30/26/1037523026.db2.gz OTTJHEQLEJLPAR-NFBKMPQASA-N 2 1 375.560 3.786 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001246659411 1037532015 /nfs/dbraw/zinc/53/20/15/1037532015.db2.gz XGRQUYWGZWHWQM-INWMFGNUSA-N 2 1 391.275 3.854 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246675120 1037541513 /nfs/dbraw/zinc/54/15/13/1037541513.db2.gz VZHDFUXVYNXTAU-VEYUFSJPSA-N 3 1 389.587 3.603 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246675120 1037541518 /nfs/dbraw/zinc/54/15/18/1037541518.db2.gz VZHDFUXVYNXTAU-VEYUFSJPSA-N 3 1 389.587 3.603 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CCN2)cc1 ZINC001246675876 1037542753 /nfs/dbraw/zinc/54/27/53/1037542753.db2.gz YUHDAXHOYKHEOB-NGSHPTGOSA-N 2 1 375.560 3.733 20 0 GHADMP c1ccc([C@@H]2C[C@H]([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CCN2)cc1 ZINC001246675876 1037542780 /nfs/dbraw/zinc/54/27/80/1037542780.db2.gz YUHDAXHOYKHEOB-NGSHPTGOSA-N 2 1 375.560 3.733 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246684024 1037548421 /nfs/dbraw/zinc/54/84/21/1037548421.db2.gz KLWOKELKCVHVIX-IMSXRSKXSA-N 2 1 378.516 3.816 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001246688419 1037551573 /nfs/dbraw/zinc/55/15/73/1037551573.db2.gz ZKVTXVQHSDLGFG-YFJHUXEUSA-N 2 1 375.560 3.729 20 0 GHADMP COC(=O)c1cc2c(nc1-c1ccsc1)CC[N@H+]([C@H]1CC[NH2+]C(C)(C)C1)CC2 ZINC001246694753 1037552885 /nfs/dbraw/zinc/55/28/85/1037552885.db2.gz ACYMYKLVFWWQNJ-KRWDZBQOSA-N 2 1 399.560 3.528 20 0 GHADMP COc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246698121 1037555102 /nfs/dbraw/zinc/55/51/02/1037555102.db2.gz WPVLRRUIWPZRAX-NZQKXSOJSA-N 2 1 397.563 3.579 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246710700 1037562420 /nfs/dbraw/zinc/56/24/20/1037562420.db2.gz SRNPHADTNVPKJT-KNKQGSTJSA-N 2 1 389.609 3.987 20 0 GHADMP c1ccc(N2CCC[C@@]3(C2)C[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CCO3)cc1 ZINC001246714068 1037564451 /nfs/dbraw/zinc/56/44/51/1037564451.db2.gz IPALTYIOZSXFNM-XMMPIXPASA-N 2 1 383.580 3.670 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@H]2CCC4(C2)CC[NH2+]CC4)C3)c1 ZINC001246727130 1037574339 /nfs/dbraw/zinc/57/43/39/1037574339.db2.gz UNJXSPGNNHUYDW-GPXNEJASSA-N 2 1 383.580 3.931 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246739893 1037583139 /nfs/dbraw/zinc/58/31/39/1037583139.db2.gz OTAJWHQQALCOJY-RJGXRXQPSA-N 2 1 399.623 3.909 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1cccc(F)c1 ZINC001246753887 1037596892 /nfs/dbraw/zinc/59/68/92/1037596892.db2.gz DLRJQHNCEYOLAG-SSPYTLHUSA-N 2 1 393.506 3.748 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1cccc(F)c1 ZINC001246753887 1037596903 /nfs/dbraw/zinc/59/69/03/1037596903.db2.gz DLRJQHNCEYOLAG-SSPYTLHUSA-N 2 1 393.506 3.748 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246759342 1037602048 /nfs/dbraw/zinc/60/20/48/1037602048.db2.gz ROOXAOZZNUJIEZ-ZGFBMJKBSA-N 2 1 398.591 3.505 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770404 1037613694 /nfs/dbraw/zinc/61/36/94/1037613694.db2.gz YKDGFJSWAPPJFR-TUACAJSNSA-N 2 1 396.623 3.926 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770404 1037613704 /nfs/dbraw/zinc/61/37/04/1037613704.db2.gz YKDGFJSWAPPJFR-TUACAJSNSA-N 3 1 396.623 3.926 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770404 1037613711 /nfs/dbraw/zinc/61/37/11/1037613711.db2.gz YKDGFJSWAPPJFR-TUACAJSNSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770404 1037613717 /nfs/dbraw/zinc/61/37/17/1037613717.db2.gz YKDGFJSWAPPJFR-TUACAJSNSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246770404 1037613731 /nfs/dbraw/zinc/61/37/31/1037613731.db2.gz YKDGFJSWAPPJFR-TUACAJSNSA-N 3 1 396.623 3.926 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)C1=O ZINC001246773119 1037615247 /nfs/dbraw/zinc/61/52/47/1037615247.db2.gz DLHDDOBHFHEYDZ-VZTJNBFISA-N 2 1 395.591 3.945 20 0 GHADMP Brc1cccc([C@H]2C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)CCN2)c1 ZINC001246809026 1037643361 /nfs/dbraw/zinc/64/33/61/1037643361.db2.gz ZITABPYXXUZLAA-LJQANCHMSA-N 2 1 392.385 3.708 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)CC[NH2+]2)cc1 ZINC001246830523 1037660966 /nfs/dbraw/zinc/66/09/66/1037660966.db2.gz VKJSSFIPCZVEGA-UODIDJSMSA-N 2 1 389.587 3.948 20 0 GHADMP Cc1ncsc1C[N@H+]1CCCC2(CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001278467910 1037666491 /nfs/dbraw/zinc/66/64/91/1037666491.db2.gz BAENTSYKFUGOSX-UHFFFAOYSA-N 2 1 377.598 3.946 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001246858245 1037679984 /nfs/dbraw/zinc/67/99/84/1037679984.db2.gz CTNSLUYXGFCMSP-FQEVSTJZSA-N 2 1 378.516 3.873 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879186 1037695050 /nfs/dbraw/zinc/69/50/50/1037695050.db2.gz MVJHEXJUBGLTIK-JMTTVTNBSA-N 2 1 387.571 3.655 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879186 1037695066 /nfs/dbraw/zinc/69/50/66/1037695066.db2.gz MVJHEXJUBGLTIK-JMTTVTNBSA-N 3 1 387.571 3.655 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879186 1037695080 /nfs/dbraw/zinc/69/50/80/1037695080.db2.gz MVJHEXJUBGLTIK-JMTTVTNBSA-N 3 1 387.571 3.655 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879186 1037695094 /nfs/dbraw/zinc/69/50/94/1037695094.db2.gz MVJHEXJUBGLTIK-JMTTVTNBSA-N 3 1 387.571 3.655 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879186 1037695116 /nfs/dbraw/zinc/69/51/16/1037695116.db2.gz MVJHEXJUBGLTIK-JMTTVTNBSA-N 3 1 387.571 3.655 20 0 GHADMP C[Si](C)(C)CCOC[NH2+][C@@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001246892014 1037707027 /nfs/dbraw/zinc/70/70/27/1037707027.db2.gz FYMWJCHEAMFWQW-YADHBBJMSA-N 2 1 389.660 3.627 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246894101 1037708748 /nfs/dbraw/zinc/70/87/48/1037708748.db2.gz NHPCZQYKHPCHII-VEYUFSJPSA-N 2 1 389.587 3.804 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)C2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC001246915466 1037724053 /nfs/dbraw/zinc/72/40/53/1037724053.db2.gz FQKJUQXEKJDYCG-UHFFFAOYSA-N 2 1 380.374 3.880 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246940362 1037745381 /nfs/dbraw/zinc/74/53/81/1037745381.db2.gz WMTCCUNAJIKLKU-NZQKXSOJSA-N 2 1 383.580 3.926 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246942196 1037748029 /nfs/dbraw/zinc/74/80/29/1037748029.db2.gz XNXWLMNMJNTEPY-DFBGVHRSSA-N 2 1 379.264 3.982 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246942196 1037748046 /nfs/dbraw/zinc/74/80/46/1037748046.db2.gz XNXWLMNMJNTEPY-DFBGVHRSSA-N 2 1 379.264 3.982 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246941316 1037748475 /nfs/dbraw/zinc/74/84/75/1037748475.db2.gz ZLXJNTPTDGCRPZ-SNCIUUNGSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)C1(C)CCC([N@@H+](Cc2cccc(F)c2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246941316 1037748493 /nfs/dbraw/zinc/74/84/93/1037748493.db2.gz ZLXJNTPTDGCRPZ-SNCIUUNGSA-N 2 1 376.516 3.892 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246966976 1037789594 /nfs/dbraw/zinc/78/95/94/1037789594.db2.gz XTFSAKVEBCPPAI-XRXFAXGQSA-N 2 1 388.552 3.889 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)CCN2)cc1 ZINC001246982302 1037807153 /nfs/dbraw/zinc/80/71/53/1037807153.db2.gz BTRLTFOLQWSYDC-RPWUZVMVSA-N 2 1 399.542 3.759 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246990788 1037815697 /nfs/dbraw/zinc/81/56/97/1037815697.db2.gz JBSIGZVVSGPDCK-WXFUMESZSA-N 2 1 392.543 3.805 20 0 GHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001247000040 1037824642 /nfs/dbraw/zinc/82/46/42/1037824642.db2.gz DBUWMDNFYIYVCU-FOVJLYNBSA-N 2 1 381.539 3.868 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnc(OC)cc2C)CC3)c1 ZINC001232351495 1038130790 /nfs/dbraw/zinc/13/07/90/1038130790.db2.gz SVGKNQNNFSIXMU-UHFFFAOYSA-N 2 1 395.547 3.895 20 0 GHADMP Cc1ccc(C[C@H]([NH3+])c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)cc1 ZINC001247643418 1038287852 /nfs/dbraw/zinc/28/78/52/1038287852.db2.gz NYYNHGWVMGWOIX-ATEOEAFZSA-N 2 1 375.476 3.749 20 0 GHADMP COc1cc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)ccc1-n1cnc(C)c1 ZINC001232562351 1038331724 /nfs/dbraw/zinc/33/17/24/1038331724.db2.gz ILBXITGBDVYZJP-UHFFFAOYSA-N 2 1 391.519 3.632 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4c3CCCC4)CC2)C1 ZINC001232634986 1038420625 /nfs/dbraw/zinc/42/06/25/1038420625.db2.gz BOMWYEFRPGUSQM-NRFANRHFSA-N 2 1 384.564 3.805 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4c3CCCC4)CC2)C1 ZINC001232634986 1038420633 /nfs/dbraw/zinc/42/06/33/1038420633.db2.gz BOMWYEFRPGUSQM-NRFANRHFSA-N 2 1 384.564 3.805 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1 ZINC001247906636 1038481156 /nfs/dbraw/zinc/48/11/56/1038481156.db2.gz BCIYSJMPBWAQKW-UHFFFAOYSA-N 2 1 380.414 3.687 20 0 GHADMP Clc1ccc(Cl)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247909192 1038482067 /nfs/dbraw/zinc/48/20/67/1038482067.db2.gz IVUPPKAERPDDQJ-UHFFFAOYSA-N 2 1 381.307 3.975 20 0 GHADMP CC(C)(O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834512 1038587737 /nfs/dbraw/zinc/58/77/37/1038587737.db2.gz VPXBCKZOWKNJJX-FCHUYYIVSA-N 2 1 379.548 3.653 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834512 1038587742 /nfs/dbraw/zinc/58/77/42/1038587742.db2.gz VPXBCKZOWKNJJX-FCHUYYIVSA-N 2 1 379.548 3.653 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834512 1038587745 /nfs/dbraw/zinc/58/77/45/1038587745.db2.gz VPXBCKZOWKNJJX-FCHUYYIVSA-N 2 1 379.548 3.653 20 0 GHADMP O[C@@H](COc1cccc2ccccc21)C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001252384604 1038969099 /nfs/dbraw/zinc/96/90/99/1038969099.db2.gz RNEYDAHOKOPTHA-FCHUYYIVSA-N 2 1 382.548 3.920 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252400043 1038981107 /nfs/dbraw/zinc/98/11/07/1038981107.db2.gz IPGZRTLFBGJLMP-OAQYLSRUSA-N 2 1 391.515 3.542 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3c1CCO3)CC2 ZINC001233275948 1039046977 /nfs/dbraw/zinc/04/69/77/1039046977.db2.gz UQDLQLCFFQYBIT-JOCHJYFZSA-N 2 1 392.543 3.877 20 0 GHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CN(C(=O)OCc4ccccc4)C3)CC2)C1 ZINC001462332153 1070178167 /nfs/dbraw/zinc/17/81/67/1070178167.db2.gz CWEVFGKAZUTVGG-PGRDOPGGSA-N 2 1 385.552 3.640 20 0 GHADMP CCOC(=O)c1ccnc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001233328240 1039122288 /nfs/dbraw/zinc/12/22/88/1039122288.db2.gz ARAFMBJJVUBZAM-FCHUYYIVSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001233328240 1039122305 /nfs/dbraw/zinc/12/23/05/1039122305.db2.gz ARAFMBJJVUBZAM-FCHUYYIVSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1ccnc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001233328240 1039122318 /nfs/dbraw/zinc/12/23/18/1039122318.db2.gz ARAFMBJJVUBZAM-FCHUYYIVSA-N 2 1 393.531 3.602 20 0 GHADMP COc1ccc(C2CC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001252926586 1039267074 /nfs/dbraw/zinc/26/70/74/1039267074.db2.gz BGPTZUXZJMVHBS-XMMPIXPASA-N 2 1 380.532 3.512 20 0 GHADMP COc1ccc(C2CC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001252926586 1039267081 /nfs/dbraw/zinc/26/70/81/1039267081.db2.gz BGPTZUXZJMVHBS-XMMPIXPASA-N 2 1 380.532 3.512 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](C[C@]3(O)CCN(Cc4ccccc4)C3)C2)cc1 ZINC001252932883 1039270725 /nfs/dbraw/zinc/27/07/25/1039270725.db2.gz ZCJGWUCRTHDTNA-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001252932883 1039270739 /nfs/dbraw/zinc/27/07/39/1039270739.db2.gz ZCJGWUCRTHDTNA-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](C[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001252932883 1039270750 /nfs/dbraw/zinc/27/07/50/1039270750.db2.gz ZCJGWUCRTHDTNA-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@H]2CCC[NH+](C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001252932883 1039270759 /nfs/dbraw/zinc/27/07/59/1039270759.db2.gz ZCJGWUCRTHDTNA-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP COc1ccc(C[C@H]2CCC[NH+](C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001252932883 1039270766 /nfs/dbraw/zinc/27/07/66/1039270766.db2.gz ZCJGWUCRTHDTNA-ILBGXUMGSA-N 2 1 394.559 3.587 20 0 GHADMP O[C@]1(C[NH2+][C@H](CC2CCOCC2)c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252950176 1039293598 /nfs/dbraw/zinc/29/35/98/1039293598.db2.gz FPXDGPXMWDJWQJ-RPBOFIJWSA-N 2 1 394.559 3.771 20 0 GHADMP COc1cccc(CC2(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CCC2)c1 ZINC001252951929 1039296274 /nfs/dbraw/zinc/29/62/74/1039296274.db2.gz XNKHKRFKMLHHMD-RUZDIDTESA-N 2 1 394.559 3.635 20 0 GHADMP COc1cccc(CC2(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CCC2)c1 ZINC001252951929 1039296283 /nfs/dbraw/zinc/29/62/83/1039296283.db2.gz XNKHKRFKMLHHMD-RUZDIDTESA-N 2 1 394.559 3.635 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001253104021 1039426815 /nfs/dbraw/zinc/42/68/15/1039426815.db2.gz OMWXGZYYIYUMAF-KBRIMQKVSA-N 2 1 382.346 3.629 20 0 GHADMP COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC001253395715 1039598658 /nfs/dbraw/zinc/59/86/58/1039598658.db2.gz MAUMQHHIFHHIAB-SIKLNZKXSA-N 2 1 384.564 3.877 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)nc3Cl)cc2)C1 ZINC001462418087 1070239370 /nfs/dbraw/zinc/23/93/70/1070239370.db2.gz LCIQQTAUKUMJGT-MRXNPFEDSA-N 2 1 399.844 3.610 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)(F)F)nc3Cl)cc2)C1 ZINC001462418087 1070239380 /nfs/dbraw/zinc/23/93/80/1070239380.db2.gz LCIQQTAUKUMJGT-MRXNPFEDSA-N 2 1 399.844 3.610 20 0 GHADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039699 1039969046 /nfs/dbraw/zinc/96/90/46/1039969046.db2.gz AWBPXEPOQQWAOY-HXUWFJFHSA-N 2 1 382.548 3.585 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001254119417 1039997177 /nfs/dbraw/zinc/99/71/77/1039997177.db2.gz YIUUMUCWXIVGFO-YMPZKCBVSA-N 2 1 398.595 3.699 20 0 GHADMP O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001234395299 1040000426 /nfs/dbraw/zinc/00/04/26/1040000426.db2.gz DNHQEEFPKWXGTH-DHIUTWEWSA-N 2 1 398.595 3.701 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C1CCC(F)(F)CC1)CC2 ZINC001254220172 1040073782 /nfs/dbraw/zinc/07/37/82/1040073782.db2.gz VXFFUCRPIKATIO-FQEVSTJZSA-N 2 1 393.522 3.962 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)C1 ZINC001278769268 1040087473 /nfs/dbraw/zinc/08/74/73/1040087473.db2.gz KOLKOKJYTJEUKO-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)C1 ZINC001278769268 1040087489 /nfs/dbraw/zinc/08/74/89/1040087489.db2.gz KOLKOKJYTJEUKO-UHFFFAOYSA-N 2 1 380.960 3.947 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001254368944 1040196981 /nfs/dbraw/zinc/19/69/81/1040196981.db2.gz KFSXYAPPLZSGED-QKDPSFTKSA-N 2 1 386.584 3.603 20 0 GHADMP CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC001254421004 1040222861 /nfs/dbraw/zinc/22/28/61/1040222861.db2.gz WSLMXRBLXGHPDD-RPBOFIJWSA-N 2 1 391.559 3.645 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)CC[NH+](Cc2ccccc2)C1 ZINC001462450431 1070260884 /nfs/dbraw/zinc/26/08/84/1070260884.db2.gz IFKRIHWRQIDQKO-RCZVLFRGSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@@H](CN3CCCC3=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001462450431 1070260898 /nfs/dbraw/zinc/26/08/98/1070260898.db2.gz IFKRIHWRQIDQKO-RCZVLFRGSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@@H](CN3CCCC3=O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462450431 1070260906 /nfs/dbraw/zinc/26/09/06/1070260906.db2.gz IFKRIHWRQIDQKO-RCZVLFRGSA-N 2 1 397.607 3.869 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)CC1 ZINC001254518897 1040292646 /nfs/dbraw/zinc/29/26/46/1040292646.db2.gz PYUSWKICLNHUSW-FPOVZHCZSA-N 2 1 395.591 3.661 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001254526738 1040298778 /nfs/dbraw/zinc/29/87/78/1040298778.db2.gz UGYJKZKAPYCNAP-MRXNPFEDSA-N 2 1 378.973 3.946 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001254526738 1040298784 /nfs/dbraw/zinc/29/87/84/1040298784.db2.gz UGYJKZKAPYCNAP-MRXNPFEDSA-N 2 1 378.973 3.946 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC1 ZINC001254526738 1040298789 /nfs/dbraw/zinc/29/87/89/1040298789.db2.gz UGYJKZKAPYCNAP-MRXNPFEDSA-N 2 1 378.973 3.946 20 0 GHADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc4cccc(Cl)c4nc3Cl)[C@@H]2C1 ZINC001278802278 1040439235 /nfs/dbraw/zinc/43/92/35/1040439235.db2.gz MZQZZZNGOIKALW-MAUKXSAKSA-N 2 1 393.362 3.609 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@H]2CSC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254702403 1040460579 /nfs/dbraw/zinc/46/05/79/1040460579.db2.gz ILDQYQATEPIDLE-GOSISDBHSA-N 2 1 397.629 3.534 20 0 GHADMP CC[N@@H+](C)C1CC[NH+]([C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254752527 1040513330 /nfs/dbraw/zinc/51/33/30/1040513330.db2.gz FIGDSCSYHAXUPA-LJQANCHMSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2ccnc2)c(Br)c1 ZINC001235027138 1040517278 /nfs/dbraw/zinc/51/72/78/1040517278.db2.gz HVHHIQZKJPWKRP-UHFFFAOYSA-N 2 1 377.330 3.553 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-n2ccnc2)c(Br)c1 ZINC001235027138 1040517307 /nfs/dbraw/zinc/51/73/07/1040517307.db2.gz HVHHIQZKJPWKRP-UHFFFAOYSA-N 2 1 377.330 3.553 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235051563 1040544516 /nfs/dbraw/zinc/54/45/16/1040544516.db2.gz ABGUIIGSUVUELI-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP FC(F)(F)c1ccccc1-c1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235051563 1040544534 /nfs/dbraw/zinc/54/45/34/1040544534.db2.gz ABGUIIGSUVUELI-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235151760 1040642785 /nfs/dbraw/zinc/64/27/85/1040642785.db2.gz BCGHLEJVYSZGSV-JOCHJYFZSA-N 2 1 383.511 3.749 20 0 GHADMP Brc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c2nsnc21 ZINC001235152783 1040645048 /nfs/dbraw/zinc/64/50/48/1040645048.db2.gz BASRDHHQPGQRBN-OAHLLOKOSA-N 2 1 395.370 3.808 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155698 1040649155 /nfs/dbraw/zinc/64/91/55/1040649155.db2.gz DSHRCDQCKYQXLE-KRWDZBQOSA-N 2 1 397.357 3.820 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1OCCCOC ZINC001235157301 1040650994 /nfs/dbraw/zinc/65/09/94/1040650994.db2.gz IIVXWIOIXGWBCC-OAQYLSRUSA-N 2 1 390.568 3.855 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([N@@H+](CC3CC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]2C1 ZINC001254897651 1040651251 /nfs/dbraw/zinc/65/12/51/1040651251.db2.gz IMRBTQCZUVFCKV-YCKXBTPASA-N 2 1 377.573 3.614 20 0 GHADMP Brc1ccc2n[nH]c(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159086 1040653712 /nfs/dbraw/zinc/65/37/12/1040653712.db2.gz VHXURIWFFDAZIU-GOSISDBHSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2[nH]nc(C[N@@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159086 1040653721 /nfs/dbraw/zinc/65/37/21/1040653721.db2.gz VHXURIWFFDAZIU-GOSISDBHSA-N 2 1 377.330 3.680 20 0 GHADMP Brc1ccc2[nH]nc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235159086 1040653729 /nfs/dbraw/zinc/65/37/29/1040653729.db2.gz VHXURIWFFDAZIU-GOSISDBHSA-N 2 1 377.330 3.680 20 0 GHADMP FC(F)(F)c1nc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)cs1 ZINC001278832303 1040718985 /nfs/dbraw/zinc/71/89/85/1040718985.db2.gz NZILJOIDDCXIER-OKILXGFUSA-N 2 1 384.471 3.834 20 0 GHADMP COc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc(OC)c1Br ZINC001235240387 1040721145 /nfs/dbraw/zinc/72/11/45/1040721145.db2.gz MPLWRGCIPZXCIX-INIZCTEOSA-N 2 1 397.357 3.820 20 0 GHADMP CC1CCC([NH+]2CCN(C3C[C@@H]4COC[C@H](C3)[N@@H+]4Cc3ccccc3)CC2)CC1 ZINC001255007777 1040725414 /nfs/dbraw/zinc/72/54/14/1040725414.db2.gz IAHGWQHQBQWSPI-RBDHKIHOSA-N 2 1 397.607 3.615 20 0 GHADMP CC1CCC([NH+]2CCN(C3C[C@@H]4COC[C@H](C3)[N@H+]4Cc3ccccc3)CC2)CC1 ZINC001255007777 1040725421 /nfs/dbraw/zinc/72/54/21/1040725421.db2.gz IAHGWQHQBQWSPI-RBDHKIHOSA-N 2 1 397.607 3.615 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255022074 1040734204 /nfs/dbraw/zinc/73/42/04/1040734204.db2.gz AVVNUHMVNDDJML-XMMPIXPASA-N 2 1 391.559 3.552 20 0 GHADMP [NH3+]Cc1cnnn1[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069753 1040762610 /nfs/dbraw/zinc/76/26/10/1040762610.db2.gz OBEQYVWFSKLPFF-QPTUXGOLSA-N 2 1 387.531 3.674 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](CCCCc1ccccc1)C2 ZINC001235324768 1040794422 /nfs/dbraw/zinc/79/44/22/1040794422.db2.gz KSAKJLJKLQHVSW-XUZZJYLKSA-N 2 1 384.564 3.654 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3c(OCC)ccc4ccccc43)C[C@@H]1CC[NH2+]CC2 ZINC001235349388 1040823042 /nfs/dbraw/zinc/82/30/42/1040823042.db2.gz MJWOHSZGDRAJLS-CYFREDJKSA-N 2 1 396.531 3.603 20 0 GHADMP COC(=O)c1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001255129963 1040826376 /nfs/dbraw/zinc/82/63/76/1040826376.db2.gz OOWYIZMVQQQQJF-WBDAEOGXSA-N 2 1 378.516 3.801 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc(C)c(OCCO)c(C)c4)C[C@H]3C2)cc1 ZINC001235353309 1040829644 /nfs/dbraw/zinc/82/96/44/1040829644.db2.gz CXZXDANPGWVXOL-DNQXCXABSA-N 2 1 394.559 3.547 20 0 GHADMP CC(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255133281 1040831991 /nfs/dbraw/zinc/83/19/91/1040831991.db2.gz RLPYBPUMZGIGBV-DTUBNOLGSA-N 2 1 383.580 3.855 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc2c1OCC=C2 ZINC001235358213 1040840334 /nfs/dbraw/zinc/84/03/34/1040840334.db2.gz NKMXHOZLCUFKJG-ZJSXRUAMSA-N 2 1 376.500 3.680 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc2c1OCC=C2 ZINC001235358213 1040840366 /nfs/dbraw/zinc/84/03/66/1040840366.db2.gz NKMXHOZLCUFKJG-ZJSXRUAMSA-N 2 1 376.500 3.680 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235365587 1040856301 /nfs/dbraw/zinc/85/63/01/1040856301.db2.gz ONIZDRMCBYIBMT-ISKFKSNPSA-N 2 1 379.548 3.665 20 0 GHADMP Brc1ccc2cc(C[N@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)ccc2c1 ZINC001235368662 1040866098 /nfs/dbraw/zinc/86/60/98/1040866098.db2.gz NSGMBPBQCAVZGU-DFQSSKMNSA-N 2 1 387.321 3.555 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CCC1 ZINC001255149359 1040868045 /nfs/dbraw/zinc/86/80/45/1040868045.db2.gz GRKWLUKTEMUBCB-BXXSPATCSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C1CCC1 ZINC001255149359 1040868054 /nfs/dbraw/zinc/86/80/54/1040868054.db2.gz GRKWLUKTEMUBCB-BXXSPATCSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C1CCC1 ZINC001255149359 1040868067 /nfs/dbraw/zinc/86/80/67/1040868067.db2.gz GRKWLUKTEMUBCB-BXXSPATCSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C1CCC1 ZINC001255149359 1040868081 /nfs/dbraw/zinc/86/80/81/1040868081.db2.gz GRKWLUKTEMUBCB-BXXSPATCSA-N 2 1 381.564 3.563 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380133 1040901000 /nfs/dbraw/zinc/90/10/00/1040901000.db2.gz SMNAPPBBIAYXSN-JLGINSKQSA-N 2 1 378.516 3.673 20 0 GHADMP COC(=O)c1ccc2c(C[N@H+]3CC[C@]4(C[NH2+]C[C@@H]4c4ccccc4)C3)c[nH]c2c1 ZINC001235380147 1040901170 /nfs/dbraw/zinc/90/11/70/1040901170.db2.gz LYBRMZOMFNKAMX-QPPBQGQZSA-N 2 1 389.499 3.534 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](C)C1CCN(Cc3ccccc3)CC1)C2 ZINC001255204629 1040903766 /nfs/dbraw/zinc/90/37/66/1040903766.db2.gz QFQGPIFNVPBWAV-ZBYYUNFXSA-N 2 1 385.552 3.735 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001255211899 1040906941 /nfs/dbraw/zinc/90/69/41/1040906941.db2.gz XLFAJKWKNSVMTJ-NXYDZRKXSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001255211899 1040906946 /nfs/dbraw/zinc/90/69/46/1040906946.db2.gz XLFAJKWKNSVMTJ-NXYDZRKXSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001255211899 1040906947 /nfs/dbraw/zinc/90/69/47/1040906947.db2.gz XLFAJKWKNSVMTJ-NXYDZRKXSA-N 2 1 397.563 3.736 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc3cc(Br)ccc3n1)C2 ZINC001235401952 1040915930 /nfs/dbraw/zinc/91/59/30/1040915930.db2.gz IGHMZNXKNZWKAJ-QZTJIDSGSA-N 2 1 378.289 3.521 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc3cc(Br)ccc3n1)C2 ZINC001235401952 1040915931 /nfs/dbraw/zinc/91/59/31/1040915931.db2.gz IGHMZNXKNZWKAJ-QZTJIDSGSA-N 2 1 378.289 3.521 20 0 GHADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)c2)cc1 ZINC001235405149 1040916702 /nfs/dbraw/zinc/91/67/02/1040916702.db2.gz NZPHDPIGFYAEOC-FYYLOGMGSA-N 2 1 382.479 3.664 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)cc1Br ZINC001235426378 1040927259 /nfs/dbraw/zinc/92/72/59/1040927259.db2.gz KQWHNXYBZMDCTF-CABCVRRESA-N 2 1 397.357 3.678 20 0 GHADMP COc1cc(OC)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Br ZINC001235426428 1040927344 /nfs/dbraw/zinc/92/73/44/1040927344.db2.gz KWKFEXPJKAEAED-CABCVRRESA-N 2 1 397.357 3.678 20 0 GHADMP Brc1ccnc2[nH]cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC001235426839 1040927515 /nfs/dbraw/zinc/92/75/15/1040927515.db2.gz LTXKNSVZXPDJPG-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1cc2[nH]cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2cn1 ZINC001235427658 1040928775 /nfs/dbraw/zinc/92/87/75/1040928775.db2.gz NVBUGXCICADWHQ-KGLIPLIRSA-N 2 1 377.330 3.537 20 0 GHADMP Ic1sccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428098 1040929734 /nfs/dbraw/zinc/92/97/34/1040929734.db2.gz OSHPSPFQPCNVFY-CHWSQXEVSA-N 2 1 390.334 3.564 20 0 GHADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2nsnc21 ZINC001235429674 1040931442 /nfs/dbraw/zinc/93/14/42/1040931442.db2.gz CMPWWTJVCBJTSL-STQMWFEESA-N 2 1 395.370 3.665 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432698 1040933211 /nfs/dbraw/zinc/93/32/11/1040933211.db2.gz VGZBOYNMGALROQ-CVEARBPZSA-N 2 1 396.373 3.843 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432698 1040933212 /nfs/dbraw/zinc/93/32/12/1040933212.db2.gz VGZBOYNMGALROQ-CVEARBPZSA-N 2 1 396.373 3.843 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432700 1040933664 /nfs/dbraw/zinc/93/36/64/1040933664.db2.gz VGZBOYNMGALROQ-HZPDHXFCSA-N 2 1 396.373 3.843 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235432700 1040933666 /nfs/dbraw/zinc/93/36/66/1040933666.db2.gz VGZBOYNMGALROQ-HZPDHXFCSA-N 2 1 396.373 3.843 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001255352263 1040957042 /nfs/dbraw/zinc/95/70/42/1040957042.db2.gz JULVDERQQBNGNP-BEDNHLLMSA-N 2 1 390.527 3.685 20 0 GHADMP c1ccc(CN2CCO[C@H](C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255380948 1040972436 /nfs/dbraw/zinc/97/24/36/1040972436.db2.gz NFORWBMKKIZDHL-LOSJGSFVSA-N 2 1 393.575 3.532 20 0 GHADMP O=C(c1ccccc1)N1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255382068 1040973119 /nfs/dbraw/zinc/97/31/19/1040973119.db2.gz BKTPHUXVRIWILW-HSZRJFAPSA-N 2 1 391.559 3.936 20 0 GHADMP c1c2c(nn1CC1CC1)[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)OCC2 ZINC001255383479 1040973601 /nfs/dbraw/zinc/97/36/01/1040973601.db2.gz JZBZWNXYFVGKJL-PKTZIBPZSA-N 2 1 394.563 3.551 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)c1 ZINC001255391438 1040979421 /nfs/dbraw/zinc/97/94/21/1040979421.db2.gz PWBGFYYYVRPYEQ-RPWUZVMVSA-N 2 1 393.575 3.914 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)[C@@H]2CCC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255399432 1040985002 /nfs/dbraw/zinc/98/50/02/1040985002.db2.gz RVDOCTFPXVBDNE-XUZZJYLKSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC001255399432 1040985004 /nfs/dbraw/zinc/98/50/04/1040985004.db2.gz RVDOCTFPXVBDNE-XUZZJYLKSA-N 2 1 396.575 3.975 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255399432 1040985005 /nfs/dbraw/zinc/98/50/05/1040985005.db2.gz RVDOCTFPXVBDNE-XUZZJYLKSA-N 2 1 396.575 3.975 20 0 GHADMP CC(C)COc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1 ZINC001235556536 1040985381 /nfs/dbraw/zinc/98/53/81/1040985381.db2.gz DNXKYDSTGOKOGX-UHFFFAOYSA-N 2 1 382.552 3.966 20 0 GHADMP CC(C)COc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1 ZINC001235556536 1040985382 /nfs/dbraw/zinc/98/53/82/1040985382.db2.gz DNXKYDSTGOKOGX-UHFFFAOYSA-N 2 1 382.552 3.966 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH+](CCOc4ccccc4)CC3)CC2)cc1 ZINC001255401456 1040988057 /nfs/dbraw/zinc/98/80/57/1040988057.db2.gz ANMWBKNZVMUNBA-XMMPIXPASA-N 2 1 393.575 3.738 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH+](CCOc4ccccc4)CC3)CC2)cc1 ZINC001255401456 1040988059 /nfs/dbraw/zinc/98/80/59/1040988059.db2.gz ANMWBKNZVMUNBA-XMMPIXPASA-N 2 1 393.575 3.738 20 0 GHADMP O=C(NC1CCC1)[C@@H]1CC12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402504 1040988509 /nfs/dbraw/zinc/98/85/09/1040988509.db2.gz OIHSQCHKFAGZLR-PKTZIBPZSA-N 2 1 395.591 3.812 20 0 GHADMP O=C(NC1CCC1)[C@H]1CC12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402502 1040989177 /nfs/dbraw/zinc/98/91/77/1040989177.db2.gz OIHSQCHKFAGZLR-DHIUTWEWSA-N 2 1 395.591 3.812 20 0 GHADMP FC(F)(F)c1ccc(CC[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1 ZINC001235565986 1040991301 /nfs/dbraw/zinc/99/13/01/1040991301.db2.gz PSTOKNKNXBFRTC-UHFFFAOYSA-N 2 1 392.469 3.992 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255409581 1040997350 /nfs/dbraw/zinc/99/73/50/1040997350.db2.gz IICYUUCWIOXXRV-OAQYLSRUSA-N 2 1 395.547 3.988 20 0 GHADMP Fc1cnccc1N(C1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409855 1040997785 /nfs/dbraw/zinc/99/77/85/1040997785.db2.gz LVQVGUJCYQODBY-HXUWFJFHSA-N 2 1 382.527 3.834 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](N3CC[NH+]4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409532 1040997811 /nfs/dbraw/zinc/99/78/11/1040997811.db2.gz ZTIDESJOJYQOFW-NOZRDPDXSA-N 2 1 375.560 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409532 1040997814 /nfs/dbraw/zinc/99/78/14/1040997814.db2.gz ZTIDESJOJYQOFW-NOZRDPDXSA-N 2 1 375.560 3.956 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](N3CC[N@H+]4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001255409532 1040997819 /nfs/dbraw/zinc/99/78/19/1040997819.db2.gz ZTIDESJOJYQOFW-NOZRDPDXSA-N 2 1 375.560 3.956 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255409580 1040998006 /nfs/dbraw/zinc/99/80/06/1040998006.db2.gz IICYUUCWIOXXRV-NRFANRHFSA-N 2 1 395.547 3.988 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664113 1041116157 /nfs/dbraw/zinc/11/61/57/1041116157.db2.gz YOPLPXADZCKRFT-BVYCBKJFSA-N 2 1 396.604 3.521 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664113 1041116171 /nfs/dbraw/zinc/11/61/71/1041116171.db2.gz YOPLPXADZCKRFT-BVYCBKJFSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664113 1041116214 /nfs/dbraw/zinc/11/62/14/1041116214.db2.gz YOPLPXADZCKRFT-BVYCBKJFSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664113 1041116237 /nfs/dbraw/zinc/11/62/37/1041116237.db2.gz YOPLPXADZCKRFT-BVYCBKJFSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664113 1041116268 /nfs/dbraw/zinc/11/62/68/1041116268.db2.gz YOPLPXADZCKRFT-BVYCBKJFSA-N 3 1 396.604 3.521 20 0 GHADMP COc1ccc(Br)c(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)c1F ZINC001235702039 1041181280 /nfs/dbraw/zinc/18/12/80/1041181280.db2.gz HHNFOCAQFOBRGH-UHFFFAOYSA-N 2 1 385.321 3.808 20 0 GHADMP C[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001255632827 1041182890 /nfs/dbraw/zinc/18/28/90/1041182890.db2.gz FKXQWUKLAGDWME-CQSZACIVSA-N 2 1 393.494 3.781 20 0 GHADMP CCC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255685386 1041215575 /nfs/dbraw/zinc/21/55/75/1041215575.db2.gz OOCFQRKHYSZOGB-WRURNZQNSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255685386 1041215593 /nfs/dbraw/zinc/21/55/93/1041215593.db2.gz OOCFQRKHYSZOGB-WRURNZQNSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255685386 1041215607 /nfs/dbraw/zinc/21/56/07/1041215607.db2.gz OOCFQRKHYSZOGB-WRURNZQNSA-N 2 1 379.589 3.971 20 0 GHADMP CCC[NH+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255685386 1041215625 /nfs/dbraw/zinc/21/56/25/1041215625.db2.gz OOCFQRKHYSZOGB-WRURNZQNSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255693255 1041219619 /nfs/dbraw/zinc/21/96/19/1041219619.db2.gz IEHPJEAQEQZNRS-HOTGVXAUSA-N 2 1 395.510 3.934 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001255728088 1041251520 /nfs/dbraw/zinc/25/15/20/1041251520.db2.gz MLWBFMLHHYSLIT-GOSISDBHSA-N 2 1 387.568 3.844 20 0 GHADMP Cc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC001255789936 1041297029 /nfs/dbraw/zinc/29/70/29/1041297029.db2.gz FEGAQRLOGQAZMF-JOCHJYFZSA-N 2 1 393.575 3.936 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C1CCCCCC1)CC2 ZINC001255888583 1041376958 /nfs/dbraw/zinc/37/69/58/1041376958.db2.gz ASQFROHPZWZFKX-JOCHJYFZSA-N 2 1 378.601 3.939 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255916186 1041400018 /nfs/dbraw/zinc/40/00/18/1041400018.db2.gz SSZLFLQMSCUMHH-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255916186 1041400023 /nfs/dbraw/zinc/40/00/23/1041400023.db2.gz SSZLFLQMSCUMHH-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255916186 1041400029 /nfs/dbraw/zinc/40/00/29/1041400029.db2.gz SSZLFLQMSCUMHH-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255916186 1041400034 /nfs/dbraw/zinc/40/00/34/1041400034.db2.gz SSZLFLQMSCUMHH-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP [NH3+]CCCCC[N@H+]1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235867300 1041401834 /nfs/dbraw/zinc/40/18/34/1041401834.db2.gz OAXBUGSQTQEXJB-UHFFFAOYSA-N 2 1 395.591 3.929 20 0 GHADMP Fc1ccc(CN2CCC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CC2)cc1 ZINC001235883975 1041410273 /nfs/dbraw/zinc/41/02/73/1041410273.db2.gz CWQRCQVWPXZJTN-UHFFFAOYSA-N 2 1 392.522 3.592 20 0 GHADMP Fc1ccc(C[N@@H+]2CCCN(Cc3cn4c5c3cccc5C[NH2+]CC4)CC2)cc1 ZINC001235883975 1041410276 /nfs/dbraw/zinc/41/02/76/1041410276.db2.gz CWQRCQVWPXZJTN-UHFFFAOYSA-N 2 1 392.522 3.592 20 0 GHADMP Fc1ccc(C[N@H+]2CCCN(Cc3cn4c5c3cccc5C[NH2+]CC4)CC2)cc1 ZINC001235883975 1041410286 /nfs/dbraw/zinc/41/02/86/1041410286.db2.gz CWQRCQVWPXZJTN-UHFFFAOYSA-N 2 1 392.522 3.592 20 0 GHADMP Clc1ccc2nc(N3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)CC3)sc2c1 ZINC001235883888 1041410529 /nfs/dbraw/zinc/41/05/29/1041410529.db2.gz AVHHZPFDYILJED-OAHLLOKOSA-N 2 1 378.973 3.852 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cncn1Cc1cccc(Br)c1 ZINC001255951981 1041432900 /nfs/dbraw/zinc/43/29/00/1041432900.db2.gz LYMYIUUWWGKWOB-MRXNPFEDSA-N 2 1 393.373 3.904 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001255959355 1041438161 /nfs/dbraw/zinc/43/81/61/1041438161.db2.gz KZTUAZSZSWGYCV-HXUWFJFHSA-N 2 1 391.575 3.613 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001255959355 1041438167 /nfs/dbraw/zinc/43/81/67/1041438167.db2.gz KZTUAZSZSWGYCV-HXUWFJFHSA-N 2 1 391.575 3.613 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001255960195 1041438838 /nfs/dbraw/zinc/43/88/38/1041438838.db2.gz FTXGPQPIVOZIET-CZTZKLFOSA-N 2 1 393.547 3.591 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001255960195 1041438857 /nfs/dbraw/zinc/43/88/57/1041438857.db2.gz FTXGPQPIVOZIET-CZTZKLFOSA-N 2 1 393.547 3.591 20 0 GHADMP Clc1ccc(Cn2cc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)c3ccccc32)cn1 ZINC001235935772 1041439676 /nfs/dbraw/zinc/43/96/76/1041439676.db2.gz FCYUWFMUEKRVAD-MSOLQXFVSA-N 2 1 380.923 3.779 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccs1)C2 ZINC001255961210 1041439773 /nfs/dbraw/zinc/43/97/73/1041439773.db2.gz VPGAXWGFMAXQMP-WIYYLYMNSA-N 2 1 377.598 3.797 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961769 1041440215 /nfs/dbraw/zinc/44/02/15/1041440215.db2.gz DAKKNTGPHVQMJM-GMAHTHKFSA-N 2 1 387.612 3.862 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+](CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255964054 1041444431 /nfs/dbraw/zinc/44/44/31/1041444431.db2.gz NNSFHKGWPJWIII-IBGZPJMESA-N 2 1 399.620 3.845 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccccc1)C2 ZINC001255964537 1041444624 /nfs/dbraw/zinc/44/46/24/1041444624.db2.gz ZGAHXLVZMCVJMD-ZJSXRUAMSA-N 2 1 385.596 3.664 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OC)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235938673 1041446130 /nfs/dbraw/zinc/44/61/30/1041446130.db2.gz YVGZOCQEOXBACO-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP Cc1ccc(C[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255979243 1041453462 /nfs/dbraw/zinc/45/34/62/1041453462.db2.gz QMRVMOVAPGIIDW-IYARVYRRSA-N 2 1 397.485 3.620 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(N3CC[NH+](C)CC3)nc2)nc1 ZINC001235973459 1041477523 /nfs/dbraw/zinc/47/75/23/1041477523.db2.gz JZISQQCEGMVVNR-JOCHJYFZSA-N 2 1 379.552 3.832 20 0 GHADMP CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071131 1041506642 /nfs/dbraw/zinc/50/66/42/1041506642.db2.gz NUTDAWPCKRACLX-FQEVSTJZSA-N 2 1 385.552 3.959 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cccc(-c2cccc(C[NH+]3CCCCC3)c2F)c1 ZINC001236016869 1041508598 /nfs/dbraw/zinc/50/85/98/1041508598.db2.gz GSJWKLQURCKGIS-HSZRJFAPSA-N 2 1 384.495 3.912 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccccc2-c2cccc(C[NH+]3CCCCC3)c2F)CC1 ZINC001236017760 1041510466 /nfs/dbraw/zinc/51/04/66/1041510466.db2.gz LHQONKZAIMMVAW-UHFFFAOYSA-N 2 1 395.522 3.866 20 0 GHADMP CCOC(=O)[C@]12C[N@@H+](Cc3ccccc3-c3ccccc3C)C[C@H]1C[NH2+]CC2 ZINC001236040233 1041512349 /nfs/dbraw/zinc/51/23/49/1041512349.db2.gz IBFYPINBQPOVTH-HYBUGGRVSA-N 2 1 378.516 3.637 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(F)c(I)c(F)c2)CC1 ZINC001236215836 1041625484 /nfs/dbraw/zinc/62/54/84/1041625484.db2.gz RLNBKIKTERYERP-UHFFFAOYSA-N 2 1 394.247 3.532 20 0 GHADMP COc1cc(OC)c(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)c(OC)c1 ZINC001236228804 1041633360 /nfs/dbraw/zinc/63/33/60/1041633360.db2.gz ZMGSIWQHUXZTCX-UHFFFAOYSA-N 2 1 384.520 3.985 20 0 GHADMP c1c(CN2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238878 1041639271 /nfs/dbraw/zinc/63/92/71/1041639271.db2.gz CUXKWZFTOFVAOH-HSZRJFAPSA-N 2 1 381.589 3.882 20 0 GHADMP c1c(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238878 1041639275 /nfs/dbraw/zinc/63/92/75/1041639275.db2.gz CUXKWZFTOFVAOH-HSZRJFAPSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238878 1041639276 /nfs/dbraw/zinc/63/92/76/1041639276.db2.gz CUXKWZFTOFVAOH-HSZRJFAPSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238878 1041639281 /nfs/dbraw/zinc/63/92/81/1041639281.db2.gz CUXKWZFTOFVAOH-HSZRJFAPSA-N 3 1 381.589 3.882 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)sc2c1C[NH2+]CC2 ZINC001236238878 1041639283 /nfs/dbraw/zinc/63/92/83/1041639283.db2.gz CUXKWZFTOFVAOH-HSZRJFAPSA-N 3 1 381.589 3.882 20 0 GHADMP C[NH+]1CCC([NH+]2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CC1 ZINC001256203566 1041645924 /nfs/dbraw/zinc/64/59/24/1041645924.db2.gz JKOWEBROAHDXJC-HXUWFJFHSA-N 2 1 395.591 3.518 20 0 GHADMP C[NH+]1CCC([NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)CC1 ZINC001256204514 1041646384 /nfs/dbraw/zinc/64/63/84/1041646384.db2.gz IBHYVDYRIPNFGE-UHFFFAOYSA-N 2 1 375.520 3.670 20 0 GHADMP C[NH+]1CCC([NH+]2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)CC1 ZINC001256202613 1041646810 /nfs/dbraw/zinc/64/68/10/1041646810.db2.gz JBUFCDXYKRGLSC-UHFFFAOYSA-N 2 1 387.568 3.639 20 0 GHADMP O=C1C[C@@H]([N@@H+](CC[C@H]2CCC[NH2+]C2)Cc2ccccc2)CN1Cc1ccccc1 ZINC001236314685 1041669029 /nfs/dbraw/zinc/66/90/29/1041669029.db2.gz NGYVJTWTAANDGP-ZJSXRUAMSA-N 2 1 391.559 3.679 20 0 GHADMP CCOC(=O)N1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256234629 1041669601 /nfs/dbraw/zinc/66/96/01/1041669601.db2.gz TURXNJVOKNTHPH-WGSAOQKQSA-N 2 1 377.504 3.519 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366905 1041684242 /nfs/dbraw/zinc/68/42/42/1041684242.db2.gz ILNLIQXJMCCCOJ-UHFFFAOYSA-N 2 1 379.520 3.685 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@@H+](Cc1ccccc1F)C1CC[NH2+]CC1 ZINC001236366905 1041684244 /nfs/dbraw/zinc/68/42/44/1041684244.db2.gz ILNLIQXJMCCCOJ-UHFFFAOYSA-N 2 1 379.520 3.685 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001256289183 1041685605 /nfs/dbraw/zinc/68/56/05/1041685605.db2.gz HWNGGLZAUAWAOB-UHFFFAOYSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001256289183 1041685611 /nfs/dbraw/zinc/68/56/11/1041685611.db2.gz HWNGGLZAUAWAOB-UHFFFAOYSA-N 2 1 377.573 3.726 20 0 GHADMP Brc1ccc(CN(Cc2[nH+]cn3ccccc23)C2CC[NH2+]CC2)cc1 ZINC001236376379 1041687041 /nfs/dbraw/zinc/68/70/41/1041687041.db2.gz GMNJMMZMOIJVBS-UHFFFAOYSA-N 2 1 399.336 3.851 20 0 GHADMP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1-n1cnc(C)c1 ZINC001236376553 1041687132 /nfs/dbraw/zinc/68/71/32/1041687132.db2.gz SVXVVAAMXLZKQO-HXUWFJFHSA-N 2 1 382.552 3.934 20 0 GHADMP COc1ncc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1Br ZINC001236376062 1041687637 /nfs/dbraw/zinc/68/76/37/1041687637.db2.gz OPQVMTRVCHOEQL-AWEZNQCLSA-N 2 1 382.346 3.597 20 0 GHADMP COc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cc1O ZINC001236376968 1041688362 /nfs/dbraw/zinc/68/83/62/1041688362.db2.gz WVAASRJBFBRJKU-CQSZACIVSA-N 2 1 397.357 3.908 20 0 GHADMP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)cc1O ZINC001236376968 1041688366 /nfs/dbraw/zinc/68/83/66/1041688366.db2.gz WVAASRJBFBRJKU-CQSZACIVSA-N 2 1 397.357 3.908 20 0 GHADMP Brc1ccc(CN(Cc2[nH+]cc3ccccn32)C2CC[NH2+]CC2)cc1 ZINC001236378395 1041689638 /nfs/dbraw/zinc/68/96/38/1041689638.db2.gz ZTYLHVKSBNXFKE-UHFFFAOYSA-N 2 1 399.336 3.851 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2cc(C)c(-c3ccc(F)cc3F)c(C)c2)CC[C@@H]1[NH3+] ZINC001236416616 1041706369 /nfs/dbraw/zinc/70/63/69/1041706369.db2.gz VTYRFIOOHODZLG-ICSRJNTNSA-N 2 1 388.458 3.571 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2cc(C)c(-c3ccc(F)cc3F)c(C)c2)CC[C@@H]1[NH3+] ZINC001236416616 1041706379 /nfs/dbraw/zinc/70/63/79/1041706379.db2.gz VTYRFIOOHODZLG-ICSRJNTNSA-N 2 1 388.458 3.571 20 0 GHADMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001236424158 1041708016 /nfs/dbraw/zinc/70/80/16/1041708016.db2.gz RYWSAMROMJKOEO-HSZRJFAPSA-N 2 1 379.548 3.575 20 0 GHADMP COc1ccc(C[N@H+](Cc2cccc(-c3cc[nH]n3)c2)C2CC[NH2+]CC2)cc1 ZINC001236447206 1041715944 /nfs/dbraw/zinc/71/59/44/1041715944.db2.gz IGVRXZXWYZSMNH-UHFFFAOYSA-N 2 1 376.504 3.840 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)C2CC[NH2+]CC2)cc1 ZINC001236447206 1041715949 /nfs/dbraw/zinc/71/59/49/1041715949.db2.gz IGVRXZXWYZSMNH-UHFFFAOYSA-N 2 1 376.504 3.840 20 0 GHADMP Cc1cc(F)cc(C[N@@H+](CCCCNC(=O)OC(C)(C)C)C2CC[NH2+]CC2)c1 ZINC001236481093 1041734507 /nfs/dbraw/zinc/73/45/07/1041734507.db2.gz PHSPBRVMDYQDSX-UHFFFAOYSA-N 2 1 393.547 3.993 20 0 GHADMP COc1ccc(C[N@H+](Cc2cccc(-c3cc[nH]n3)c2)C2CC[NH2+]CC2)cc1F ZINC001236515986 1041749574 /nfs/dbraw/zinc/74/95/74/1041749574.db2.gz FEZOYDSIZJQYHV-UHFFFAOYSA-N 2 1 394.494 3.979 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)C2CC[NH2+]CC2)cc1F ZINC001236515986 1041749577 /nfs/dbraw/zinc/74/95/77/1041749577.db2.gz FEZOYDSIZJQYHV-UHFFFAOYSA-N 2 1 394.494 3.979 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc3c(c2)CCCN3)C2CC[NH2+]CC2)cc1F ZINC001236518024 1041750880 /nfs/dbraw/zinc/75/08/80/1041750880.db2.gz PNRWTYZFTBUAOA-UHFFFAOYSA-N 2 1 383.511 3.947 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)CCCN3)C2CC[NH2+]CC2)cc1F ZINC001236518024 1041750886 /nfs/dbraw/zinc/75/08/86/1041750886.db2.gz PNRWTYZFTBUAOA-UHFFFAOYSA-N 2 1 383.511 3.947 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236536799 1041755468 /nfs/dbraw/zinc/75/54/68/1041755468.db2.gz IINSHJVIGHCLDH-WKILWMFISA-N 2 1 376.497 3.946 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001236537242 1041755858 /nfs/dbraw/zinc/75/58/58/1041755858.db2.gz MZDDMIHCBHGDTD-HZCBDIJESA-N 3 1 396.554 3.507 20 0 GHADMP Cn1nc(C(F)(F)F)c(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1Cl ZINC001236542477 1041756744 /nfs/dbraw/zinc/75/67/44/1041756744.db2.gz RDVZWIQOFNEISL-JOCQHMNTSA-N 2 1 378.870 3.964 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236546150 1041758825 /nfs/dbraw/zinc/75/88/25/1041758825.db2.gz ZBZLJGQJMULEPT-WGSAOQKQSA-N 3 1 385.577 3.675 20 0 GHADMP COc1cc(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236573373 1041766568 /nfs/dbraw/zinc/76/65/68/1041766568.db2.gz APVPRNDLOCYKGE-KOMQPUFPSA-N 2 1 382.346 3.867 20 0 GHADMP Cc1ccc(I)cc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236637448 1041797754 /nfs/dbraw/zinc/79/77/54/1041797754.db2.gz QGIUSCPLXMYRGJ-UHFFFAOYSA-N 2 1 384.305 3.706 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cnc2cc(C)ccn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700138 1041840734 /nfs/dbraw/zinc/84/07/34/1041840734.db2.gz IUXNTLDCISFOSS-MXVIHJGJSA-N 2 1 378.520 3.923 20 0 GHADMP Cc1cnccc1O[C@@H]1CCN(Cc2cc(Br)ccc2N(C)C)C1 ZINC001236707866 1041845206 /nfs/dbraw/zinc/84/52/06/1041845206.db2.gz OCRUBWCXKZOGHJ-QGZVFWFLSA-N 2 1 390.325 3.872 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(OC(F)F)cc1F)C2 ZINC001236717188 1041853123 /nfs/dbraw/zinc/85/31/23/1041853123.db2.gz FFGHLOAPSTTXIZ-UWJYYQICSA-N 2 1 398.469 3.607 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2ccc(-n3nccn3)cc2)CC1 ZINC001236754791 1041873971 /nfs/dbraw/zinc/87/39/71/1041873971.db2.gz JQYGOLPGLINXSC-MEMLXQNLSA-N 2 1 379.483 3.679 20 0 GHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001236815753 1041913761 /nfs/dbraw/zinc/91/37/61/1041913761.db2.gz VXHXCPIKIIVOCA-UHFFFAOYSA-N 2 1 379.548 3.566 20 0 GHADMP CCC[N@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236844675 1041926266 /nfs/dbraw/zinc/92/62/66/1041926266.db2.gz XPKKLBBJUWSNAX-HXUWFJFHSA-N 2 1 396.531 3.874 20 0 GHADMP CCC[N@@H+](Cc1cc(Br)ccc1OC(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236845182 1041926509 /nfs/dbraw/zinc/92/65/09/1041926509.db2.gz ZLFVJOJDSMOUCG-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP CCC[N@H+](Cc1cc(Br)ccc1OC(F)F)C[C@@H]1CC[NH2+]C1 ZINC001236845182 1041926513 /nfs/dbraw/zinc/92/65/13/1041926513.db2.gz ZLFVJOJDSMOUCG-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236960611 1041969785 /nfs/dbraw/zinc/96/97/85/1041969785.db2.gz RXVUBOQDAMIKPB-LJQANCHMSA-N 2 1 383.511 3.576 20 0 GHADMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(F)c(N3CC[NH+](C)CC3)c2)C1 ZINC001236960611 1041969787 /nfs/dbraw/zinc/96/97/87/1041969787.db2.gz RXVUBOQDAMIKPB-LJQANCHMSA-N 2 1 383.511 3.576 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc5cccccc4-5)C3)O2)CC1 ZINC001237184235 1042082609 /nfs/dbraw/zinc/08/26/09/1042082609.db2.gz UDUOIPBXAPCJBH-ILBGXUMGSA-N 2 1 393.575 3.552 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccc5cccccc4-5)C3)O2)CC1 ZINC001237184235 1042082616 /nfs/dbraw/zinc/08/26/16/1042082616.db2.gz UDUOIPBXAPCJBH-ILBGXUMGSA-N 2 1 393.575 3.552 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccc5cccccc4-5)C3)O2)CC1 ZINC001237184235 1042082624 /nfs/dbraw/zinc/08/26/24/1042082624.db2.gz UDUOIPBXAPCJBH-ILBGXUMGSA-N 2 1 393.575 3.552 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C[C@@H]4Cc5ccccc5CN4)CC[C@H]3C2)cc1 ZINC001237266598 1042114160 /nfs/dbraw/zinc/11/41/60/1042114160.db2.gz XUKKRFRGHWMUHK-GVAUOCQISA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4Cc5ccccc5CN4)CC[C@H]3C2)cc1 ZINC001237266598 1042114162 /nfs/dbraw/zinc/11/41/62/1042114162.db2.gz XUKKRFRGHWMUHK-GVAUOCQISA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4Cc5ccccc5CN4)CC[C@H]3C2)cc1 ZINC001237266598 1042114163 /nfs/dbraw/zinc/11/41/63/1042114163.db2.gz XUKKRFRGHWMUHK-GVAUOCQISA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3CN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC[C@H]3C2)cc1 ZINC001237266598 1042114166 /nfs/dbraw/zinc/11/41/66/1042114166.db2.gz XUKKRFRGHWMUHK-GVAUOCQISA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3CN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC[C@H]3C2)cc1 ZINC001237266598 1042114167 /nfs/dbraw/zinc/11/41/67/1042114167.db2.gz XUKKRFRGHWMUHK-GVAUOCQISA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@H]3C2)cc1 ZINC001237274938 1042118525 /nfs/dbraw/zinc/11/85/25/1042118525.db2.gz HYSDMBANOUFKRF-BJKOFHAPSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@H]3C2)cc1 ZINC001237274938 1042118528 /nfs/dbraw/zinc/11/85/28/1042118528.db2.gz HYSDMBANOUFKRF-BJKOFHAPSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)C[NH2+]CC5)CC[C@H]3C2)cc1 ZINC001237274938 1042118531 /nfs/dbraw/zinc/11/85/31/1042118531.db2.gz HYSDMBANOUFKRF-BJKOFHAPSA-N 3 1 375.560 3.676 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1cc(Br)c(Br)s1)CC2 ZINC001237356190 1042166616 /nfs/dbraw/zinc/16/66/16/1042166616.db2.gz HRJNPDZSCATAEE-NSHDSACASA-N 2 1 394.176 3.976 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001237410251 1042196338 /nfs/dbraw/zinc/19/63/38/1042196338.db2.gz MHEWCZKHOKZGSN-UHFFFAOYSA-N 2 1 392.547 3.917 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2Oc2ccc(F)cc2)CCC12C[NH2+]C2 ZINC001237431603 1042205788 /nfs/dbraw/zinc/20/57/88/1042205788.db2.gz SNQWBGXDVYHIMA-HXUWFJFHSA-N 2 1 398.478 3.593 20 0 GHADMP Fc1cccc2c(C[N@@H+]3CCc4ncc(C[NH+]5CCCC5)n4CC3)cccc12 ZINC001237512439 1042244727 /nfs/dbraw/zinc/24/47/27/1042244727.db2.gz ACESEHDSZKOEFI-UHFFFAOYSA-N 2 1 378.495 3.830 20 0 GHADMP COc1ccc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001237709421 1042336619 /nfs/dbraw/zinc/33/66/19/1042336619.db2.gz XUKZMJVDAQKVJM-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)nc1 ZINC001237879144 1042406950 /nfs/dbraw/zinc/40/69/50/1042406950.db2.gz JTDKBQFTJYYBRR-HXUWFJFHSA-N 2 1 378.520 3.830 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCN(c4ccc(F)cn4)CC3)cc21 ZINC001237881830 1042408015 /nfs/dbraw/zinc/40/80/15/1042408015.db2.gz VUZYZIQWPFFFSS-UHFFFAOYSA-N 2 1 380.511 3.934 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C1CCOCC1)C2 ZINC001237902524 1042416908 /nfs/dbraw/zinc/41/69/08/1042416908.db2.gz ZEJKORUZCSHQIH-ZCYQVOJMSA-N 2 1 398.591 3.761 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1C1CCOCC1)C2 ZINC001237902524 1042416911 /nfs/dbraw/zinc/41/69/11/1042416911.db2.gz ZEJKORUZCSHQIH-ZCYQVOJMSA-N 2 1 398.591 3.761 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1C1CCOCC1)C2 ZINC001237902524 1042416914 /nfs/dbraw/zinc/41/69/14/1042416914.db2.gz ZEJKORUZCSHQIH-ZCYQVOJMSA-N 2 1 398.591 3.761 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5c[nH+]cn54)CC3)C2)cc1 ZINC001238102826 1042492951 /nfs/dbraw/zinc/49/29/51/1042492951.db2.gz CVMGMSGNPSUUPQ-UHFFFAOYSA-N 3 1 390.531 3.510 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC3(CCNC(=O)O3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462630561 1070429147 /nfs/dbraw/zinc/42/91/47/1070429147.db2.gz FHTUKGCLEDUSNZ-QHCPKHFHSA-N 2 1 399.579 3.889 20 0 GHADMP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001462633274 1070430456 /nfs/dbraw/zinc/43/04/56/1070430456.db2.gz GUNAJIYXHMBWBS-UEVCKROQSA-N 2 1 380.532 3.804 20 0 GHADMP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001462633274 1070430462 /nfs/dbraw/zinc/43/04/62/1070430462.db2.gz GUNAJIYXHMBWBS-UEVCKROQSA-N 2 1 380.532 3.804 20 0 GHADMP CC(C)Oc1cncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001238464177 1042605119 /nfs/dbraw/zinc/60/51/19/1042605119.db2.gz TUGKITKTSFEXJO-HXUWFJFHSA-N 2 1 399.535 3.717 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(F)cn1 ZINC001238735393 1042707156 /nfs/dbraw/zinc/70/71/56/1042707156.db2.gz OTGALGCKVUNGCH-WOJBJXKFSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)cn1 ZINC001238735393 1042707160 /nfs/dbraw/zinc/70/71/60/1042707160.db2.gz OTGALGCKVUNGCH-WOJBJXKFSA-N 2 1 383.511 3.963 20 0 GHADMP CCOc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(F)cn1 ZINC001238735393 1042707168 /nfs/dbraw/zinc/70/71/68/1042707168.db2.gz OTGALGCKVUNGCH-WOJBJXKFSA-N 2 1 383.511 3.963 20 0 GHADMP [NH3+]C1CCN(C(=O)c2ccccc2C2=CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001240389119 1042925195 /nfs/dbraw/zinc/92/51/95/1042925195.db2.gz WHWYCXKKQVTULS-UHFFFAOYSA-N 2 1 375.516 3.539 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522524 1043447404 /nfs/dbraw/zinc/44/74/04/1043447404.db2.gz KXDZWUIMXQVJFX-IEBWSBKVSA-N 2 1 391.531 3.588 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(F)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256522524 1043447411 /nfs/dbraw/zinc/44/74/11/1043447411.db2.gz KXDZWUIMXQVJFX-IEBWSBKVSA-N 2 1 391.531 3.588 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256528104 1043458122 /nfs/dbraw/zinc/45/81/22/1043458122.db2.gz XLZTUUSFELOWOK-XXBNENTESA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256528104 1043458132 /nfs/dbraw/zinc/45/81/32/1043458132.db2.gz XLZTUUSFELOWOK-XXBNENTESA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256530134 1043461810 /nfs/dbraw/zinc/46/18/10/1043461810.db2.gz KBBQDLRXKMDXRQ-VKZFYUIYSA-N 2 1 375.560 3.760 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256530134 1043461819 /nfs/dbraw/zinc/46/18/19/1043461819.db2.gz KBBQDLRXKMDXRQ-VKZFYUIYSA-N 2 1 375.560 3.760 20 0 GHADMP C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256530134 1043461841 /nfs/dbraw/zinc/46/18/41/1043461841.db2.gz KBBQDLRXKMDXRQ-VKZFYUIYSA-N 2 1 375.560 3.760 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC001256534877 1043472163 /nfs/dbraw/zinc/47/21/63/1043472163.db2.gz ADAMUANNFGCERF-SIKLNZKXSA-N 2 1 398.547 3.863 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC001256534877 1043472176 /nfs/dbraw/zinc/47/21/76/1043472176.db2.gz ADAMUANNFGCERF-SIKLNZKXSA-N 2 1 398.547 3.863 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256535435 1043475889 /nfs/dbraw/zinc/47/58/89/1043475889.db2.gz ZIOMXKHORONTFQ-TZYHBYERSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256535435 1043475910 /nfs/dbraw/zinc/47/59/10/1043475910.db2.gz ZIOMXKHORONTFQ-TZYHBYERSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256538899 1043488045 /nfs/dbraw/zinc/48/80/45/1043488045.db2.gz VRKOWBRHQLGUQX-CVDCTZTESA-N 2 1 379.548 3.574 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256538899 1043488053 /nfs/dbraw/zinc/48/80/53/1043488053.db2.gz VRKOWBRHQLGUQX-CVDCTZTESA-N 2 1 379.548 3.574 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541255 1043493548 /nfs/dbraw/zinc/49/35/48/1043493548.db2.gz IPMJDZLHJIXPQW-TZIWHRDSSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541255 1043493564 /nfs/dbraw/zinc/49/35/64/1043493564.db2.gz IPMJDZLHJIXPQW-TZIWHRDSSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541255 1043493590 /nfs/dbraw/zinc/49/35/90/1043493590.db2.gz IPMJDZLHJIXPQW-TZIWHRDSSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)N(C)Cc1nn([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541255 1043493605 /nfs/dbraw/zinc/49/36/05/1043493605.db2.gz IPMJDZLHJIXPQW-TZIWHRDSSA-N 2 1 395.595 3.595 20 0 GHADMP CC(C)N(C)Cc1nn([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541255 1043493615 /nfs/dbraw/zinc/49/36/15/1043493615.db2.gz IPMJDZLHJIXPQW-TZIWHRDSSA-N 2 1 395.595 3.595 20 0 GHADMP C[C@H]1C[C@H](n2nc(COCC3CC3)c3c2C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256545274 1043504347 /nfs/dbraw/zinc/50/43/47/1043504347.db2.gz RSRVAVUDCZHLRL-FXAWDEMLSA-N 2 1 380.536 3.639 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256548685 1043509604 /nfs/dbraw/zinc/50/96/04/1043509604.db2.gz BZKVJTLTNVMDGF-OFNKIYASSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256548685 1043509617 /nfs/dbraw/zinc/50/96/17/1043509617.db2.gz BZKVJTLTNVMDGF-OFNKIYASSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552366 1043517307 /nfs/dbraw/zinc/51/73/07/1043517307.db2.gz BLSVGBIULVUZDS-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256552366 1043517320 /nfs/dbraw/zinc/51/73/20/1043517320.db2.gz BLSVGBIULVUZDS-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256552366 1043517330 /nfs/dbraw/zinc/51/73/30/1043517330.db2.gz BLSVGBIULVUZDS-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256552366 1043517340 /nfs/dbraw/zinc/51/73/40/1043517340.db2.gz BLSVGBIULVUZDS-CEWLAPEOSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256555334 1043525082 /nfs/dbraw/zinc/52/50/82/1043525082.db2.gz UDBULTVVPQVZJS-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256555334 1043525095 /nfs/dbraw/zinc/52/50/95/1043525095.db2.gz UDBULTVVPQVZJS-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP Cc1cc(C)nc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256560915 1043534094 /nfs/dbraw/zinc/53/40/94/1043534094.db2.gz URSWPTDOHIWFSY-REWPJTCUSA-N 2 1 393.579 3.705 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)CC[C@@H]2C1 ZINC001256569640 1043543121 /nfs/dbraw/zinc/54/31/21/1043543121.db2.gz MCDPNRXQOJHFGS-HDICACEKSA-N 2 1 379.589 3.828 20 0 GHADMP O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256612553 1043575746 /nfs/dbraw/zinc/57/57/46/1043575746.db2.gz MGDSSIXNCWBZDV-HSZRJFAPSA-N 2 1 389.543 3.771 20 0 GHADMP CCC[C@H](COC)[N@@H+](CCC(=O)OCC)C1CCN(Cc2ccccc2)CC1 ZINC001256613675 1043576829 /nfs/dbraw/zinc/57/68/29/1043576829.db2.gz SDNVDCCCUAGBAY-JOCHJYFZSA-N 2 1 390.568 3.721 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1)c1cccc(F)c1 ZINC001256612931 1043577256 /nfs/dbraw/zinc/57/72/56/1043577256.db2.gz SERYEOVNWGHXQY-JOCHJYFZSA-N 2 1 395.522 3.685 20 0 GHADMP O=C(N[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1)c1cccc(F)c1 ZINC001256612931 1043577258 /nfs/dbraw/zinc/57/72/58/1043577258.db2.gz SERYEOVNWGHXQY-JOCHJYFZSA-N 2 1 395.522 3.685 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C1CCN(Cc3ccccc3)CC1)C2 ZINC001256613652 1043577674 /nfs/dbraw/zinc/57/76/74/1043577674.db2.gz RHXFBYFXGAFZPH-HXUWFJFHSA-N 2 1 380.532 3.940 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256613652 1043577678 /nfs/dbraw/zinc/57/76/78/1043577678.db2.gz RHXFBYFXGAFZPH-HXUWFJFHSA-N 2 1 380.532 3.940 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256613652 1043577690 /nfs/dbraw/zinc/57/76/90/1043577690.db2.gz RHXFBYFXGAFZPH-HXUWFJFHSA-N 2 1 380.532 3.940 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256629693 1043582180 /nfs/dbraw/zinc/58/21/80/1043582180.db2.gz PLRLSWPFKDWIJZ-JWTNVVGKSA-N 2 1 378.358 3.505 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256629693 1043582205 /nfs/dbraw/zinc/58/22/05/1043582205.db2.gz PLRLSWPFKDWIJZ-JWTNVVGKSA-N 2 1 378.358 3.505 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C1CCC([NH+]2CCOCC2)CC1)[C@@H]1CN2CCC1CC2 ZINC001256696927 1043628430 /nfs/dbraw/zinc/62/84/30/1043628430.db2.gz QRPDZVIOIPTADD-ZSAXZHEQSA-N 2 1 397.607 3.787 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH+]3C[C@@H]4C[N@@H+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815421 1043671851 /nfs/dbraw/zinc/67/18/51/1043671851.db2.gz SEFOVSOTOIDWIK-CJRSTVEYSA-N 2 1 384.564 3.730 20 0 GHADMP c1ccc([C@H]2C[C@@H]([N@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815421 1043671855 /nfs/dbraw/zinc/67/18/55/1043671855.db2.gz SEFOVSOTOIDWIK-CJRSTVEYSA-N 2 1 384.564 3.730 20 0 GHADMP c1ccc([C@H]2C[C@@H]([N@@H+]3C[C@@H]4C[NH+](CC5CCCC5)CCO[C@@H]4C3)CCO2)cc1 ZINC001256815421 1043671863 /nfs/dbraw/zinc/67/18/63/1043671863.db2.gz SEFOVSOTOIDWIK-CJRSTVEYSA-N 2 1 384.564 3.730 20 0 GHADMP CC(C)[C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256856123 1043704832 /nfs/dbraw/zinc/70/48/32/1043704832.db2.gz BCTLHRXUWMSGGF-FQEVSTJZSA-N 2 1 388.556 3.628 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1)C1CCCCC1 ZINC001256910024 1043734294 /nfs/dbraw/zinc/73/42/94/1043734294.db2.gz WOGBXQRFPFPULS-ACRUOGEOSA-N 2 1 375.601 3.991 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1)C1CCCCC1 ZINC001256910024 1043734308 /nfs/dbraw/zinc/73/43/08/1043734308.db2.gz WOGBXQRFPFPULS-ACRUOGEOSA-N 2 1 375.601 3.991 20 0 GHADMP Fc1ccc(-c2nn([C@H]3CCC[N@H+](C4CCCC4)C3)c3c2CC[NH2+]CC3)cc1 ZINC001256912136 1043736772 /nfs/dbraw/zinc/73/67/72/1043736772.db2.gz APRHQBAWLQUBKP-FQEVSTJZSA-N 2 1 382.527 3.957 20 0 GHADMP c1ccc2c(c1)ncnc2N(C1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256924095 1043753365 /nfs/dbraw/zinc/75/33/65/1043753365.db2.gz NYKVAWXYUKDEKW-HXUWFJFHSA-N 2 1 379.552 3.595 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2ccc(F)cc2)C2CCN(C)CC2)CC1 ZINC001256989241 1043788381 /nfs/dbraw/zinc/78/83/81/1043788381.db2.gz AZVRPSKUOMQVRG-UHFFFAOYSA-N 2 1 376.516 3.844 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)cc1Cl ZINC001292582534 1043796187 /nfs/dbraw/zinc/79/61/87/1043796187.db2.gz LSQVSGLUAQOLRW-CYBMUJFWSA-N 2 1 390.330 3.621 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001257160833 1043906413 /nfs/dbraw/zinc/90/64/13/1043906413.db2.gz RDIPIUKYGPHZAN-IOMROCGXSA-N 2 1 398.572 3.920 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813939 1044194472 /nfs/dbraw/zinc/19/44/72/1044194472.db2.gz CNQMEGUKTGFYNA-NYVOZVTQSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813939 1044194480 /nfs/dbraw/zinc/19/44/80/1044194480.db2.gz CNQMEGUKTGFYNA-NYVOZVTQSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813939 1044194484 /nfs/dbraw/zinc/19/44/84/1044194484.db2.gz CNQMEGUKTGFYNA-NYVOZVTQSA-N 2 1 377.573 3.584 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)[C@@H](C)C1 ZINC001257846372 1044218436 /nfs/dbraw/zinc/21/84/36/1044218436.db2.gz WJNKSZVJFSQRIV-BYDNXPSSSA-N 2 1 379.589 3.730 20 0 GHADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001257971991 1044293338 /nfs/dbraw/zinc/29/33/38/1044293338.db2.gz FKHHHOXBLBKITC-WOJBJXKFSA-N 2 1 398.551 3.876 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CCOc3cccc4cccnc43)CC2)cc1 ZINC001258135886 1044421004 /nfs/dbraw/zinc/42/10/04/1044421004.db2.gz TWGNLJWCCQPUKW-UHFFFAOYSA-N 2 1 375.516 3.910 20 0 GHADMP CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258137102 1044422377 /nfs/dbraw/zinc/42/23/77/1044422377.db2.gz ARUHGINVCLLCFJ-MEMLXQNLSA-N 2 1 385.596 3.757 20 0 GHADMP COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001258358057 1044521258 /nfs/dbraw/zinc/52/12/58/1044521258.db2.gz MPVNEIRTGHEEQA-WWPVKYPJSA-N 2 1 380.532 3.976 20 0 GHADMP C[C@@H](CC1CC1)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258466488 1044573314 /nfs/dbraw/zinc/57/33/14/1044573314.db2.gz QWBUJZUZYPCLIO-BPUDTRNYSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H](CC1CC1)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001258466488 1044573329 /nfs/dbraw/zinc/57/33/29/1044573329.db2.gz QWBUJZUZYPCLIO-BPUDTRNYSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H](CC1CC1)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001258466488 1044573343 /nfs/dbraw/zinc/57/33/43/1044573343.db2.gz QWBUJZUZYPCLIO-BPUDTRNYSA-N 2 1 383.580 3.821 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258657439 1044695873 /nfs/dbraw/zinc/69/58/73/1044695873.db2.gz XMYYXGHFVFQBOW-ISJGIBHGSA-N 2 1 399.623 3.659 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258657439 1044695883 /nfs/dbraw/zinc/69/58/83/1044695883.db2.gz XMYYXGHFVFQBOW-ISJGIBHGSA-N 2 1 399.623 3.659 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258657439 1044695890 /nfs/dbraw/zinc/69/58/90/1044695890.db2.gz XMYYXGHFVFQBOW-ISJGIBHGSA-N 2 1 399.623 3.659 20 0 GHADMP CCC[NH+]1CCC(N(C)c2nnc(C3CCCC3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001294684124 1044762242 /nfs/dbraw/zinc/76/22/42/1044762242.db2.gz SNXYJXTVTPHYOP-UHFFFAOYSA-N 2 1 390.620 3.587 20 0 GHADMP CCc1ccc([C@@H]2CN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC[NH2+]2)cc1 ZINC001297009915 1045423573 /nfs/dbraw/zinc/42/35/73/1045423573.db2.gz KTFBIMQESAARRU-NRFANRHFSA-N 2 1 391.515 3.844 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)cc1 ZINC001263094617 1046558272 /nfs/dbraw/zinc/55/82/72/1046558272.db2.gz MPURCHNNNGXIFE-MRXNPFEDSA-N 2 1 382.508 3.768 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000381011428 1046924547 /nfs/dbraw/zinc/92/45/47/1046924547.db2.gz SNHSMCXOPYSJFI-FQEVSTJZSA-N 2 1 387.568 3.888 20 0 GHADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC000382027019 1047007961 /nfs/dbraw/zinc/00/79/61/1047007961.db2.gz BLBGYRGATZIXTL-OJJQZRKESA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](N[C@H]4CC[N@@H+](Cc5ccccc5)C4)[C@H]3C2)cc1 ZINC000382027019 1047007974 /nfs/dbraw/zinc/00/79/74/1047007974.db2.gz BLBGYRGATZIXTL-OJJQZRKESA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@@H](N[C@H]4CC[N@H+](Cc5ccccc5)C4)[C@H]3C2)cc1 ZINC000382027019 1047007987 /nfs/dbraw/zinc/00/79/87/1047007987.db2.gz BLBGYRGATZIXTL-OJJQZRKESA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC000382027019 1047008001 /nfs/dbraw/zinc/00/80/01/1047008001.db2.gz BLBGYRGATZIXTL-OJJQZRKESA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)C2)cc1 ZINC000382027019 1047008015 /nfs/dbraw/zinc/00/80/15/1047008015.db2.gz BLBGYRGATZIXTL-OJJQZRKESA-N 2 1 375.560 3.761 20 0 GHADMP CC(C)c1nnc(N2CCC(C[NH+](C)C(C)C)CC2)n1CCC[N@H+](C)C(C)C ZINC001302627645 1047012920 /nfs/dbraw/zinc/01/29/20/1047012920.db2.gz DGQSPPGKKFQVAR-UHFFFAOYSA-N 2 1 392.636 3.688 20 0 GHADMP CC(C)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCC[NH+](C)C(C)C ZINC001302627645 1047012932 /nfs/dbraw/zinc/01/29/32/1047012932.db2.gz DGQSPPGKKFQVAR-UHFFFAOYSA-N 2 1 392.636 3.688 20 0 GHADMP CC(C)c1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCC[NH+](C)C(C)C ZINC001302627645 1047012940 /nfs/dbraw/zinc/01/29/40/1047012940.db2.gz DGQSPPGKKFQVAR-UHFFFAOYSA-N 2 1 392.636 3.688 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000383716836 1047116437 /nfs/dbraw/zinc/11/64/37/1047116437.db2.gz CXXZTDIWINTJEK-PZJWPPBQSA-N 2 1 388.939 3.582 20 0 GHADMP Brc1c[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001279287325 1047757416 /nfs/dbraw/zinc/75/74/16/1047757416.db2.gz ZKDDPEZTUULLKQ-UHFFFAOYSA-N 2 1 377.330 3.593 20 0 GHADMP Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001279447962 1047812365 /nfs/dbraw/zinc/81/23/65/1047812365.db2.gz WFOXQMHNRMYGGJ-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001279447962 1047812374 /nfs/dbraw/zinc/81/23/74/1047812374.db2.gz WFOXQMHNRMYGGJ-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1F ZINC001279447962 1047812383 /nfs/dbraw/zinc/81/23/83/1047812383.db2.gz WFOXQMHNRMYGGJ-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Brc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c[nH]1 ZINC001279506506 1047828404 /nfs/dbraw/zinc/82/84/04/1047828404.db2.gz JTBKYSJDCPHHFE-UHFFFAOYSA-N 2 1 377.330 3.593 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cncc(Cl)c1)CC2 ZINC001279638494 1047882727 /nfs/dbraw/zinc/88/27/27/1047882727.db2.gz GDBYQUIMMQDDGE-UHFFFAOYSA-N 2 1 376.957 3.988 20 0 GHADMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ncc(C(F)(F)F)cc1Br)CC2 ZINC001279645618 1047887745 /nfs/dbraw/zinc/88/77/45/1047887745.db2.gz PUMSZGCHRLDOCF-UHFFFAOYSA-N 2 1 392.263 3.781 20 0 GHADMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ncc(C(F)(F)F)cc1Br)CC2 ZINC001279645618 1047887760 /nfs/dbraw/zinc/88/77/60/1047887760.db2.gz PUMSZGCHRLDOCF-UHFFFAOYSA-N 2 1 392.263 3.781 20 0 GHADMP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=S)NCCC[NH+](CC)CC ZINC001279993790 1048030726 /nfs/dbraw/zinc/03/07/26/1048030726.db2.gz QWIZSIHTLFHUGB-AQNXPRMDSA-N 2 1 382.662 3.568 20 0 GHADMP CCCC[C@H](CC)C[N@H+]1CCC12CN(C(=S)NCCC[NH+](CC)CC)C2 ZINC001279992481 1048031169 /nfs/dbraw/zinc/03/11/69/1048031169.db2.gz CMAJBKPDWITOOR-IBGZPJMESA-N 2 1 382.662 3.569 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)CC2)c1 ZINC001306188977 1048501113 /nfs/dbraw/zinc/50/11/13/1048501113.db2.gz AJLXJAYRBZWEJR-DEOSSOPVSA-N 2 1 391.559 3.762 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)CC2)c1 ZINC001306188977 1048501118 /nfs/dbraw/zinc/50/11/18/1048501118.db2.gz AJLXJAYRBZWEJR-DEOSSOPVSA-N 2 1 391.559 3.762 20 0 GHADMP CC(=O)NCC1CC[NH+](C[C@@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001307430374 1049267242 /nfs/dbraw/zinc/26/72/42/1049267242.db2.gz CNNVGMQDHSKUQC-RUZDIDTESA-N 2 1 393.575 3.750 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCCCC2)C1 ZINC001307458602 1049294676 /nfs/dbraw/zinc/29/46/76/1049294676.db2.gz IUBGKOSIQSHTBR-RBBKRZOGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCCC2)C1 ZINC001307458602 1049294686 /nfs/dbraw/zinc/29/46/86/1049294686.db2.gz IUBGKOSIQSHTBR-RBBKRZOGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCCC2)C1 ZINC001307458602 1049294701 /nfs/dbraw/zinc/29/47/01/1049294701.db2.gz IUBGKOSIQSHTBR-RBBKRZOGSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307477471 1049314975 /nfs/dbraw/zinc/31/49/75/1049314975.db2.gz BZRYAFUCXUZKKL-YYWHXJBOSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307477471 1049314982 /nfs/dbraw/zinc/31/49/82/1049314982.db2.gz BZRYAFUCXUZKKL-YYWHXJBOSA-N 2 1 389.971 3.858 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518728 1049363215 /nfs/dbraw/zinc/36/32/15/1049363215.db2.gz VVUPLTCDVXHSFZ-UXHICEINSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518728 1049363226 /nfs/dbraw/zinc/36/32/26/1049363226.db2.gz VVUPLTCDVXHSFZ-UXHICEINSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518728 1049363238 /nfs/dbraw/zinc/36/32/38/1049363238.db2.gz VVUPLTCDVXHSFZ-UXHICEINSA-N 2 1 379.589 3.687 20 0 GHADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001307745294 1049556542 /nfs/dbraw/zinc/55/65/42/1049556542.db2.gz HLYNERJUKLOSDT-DEOSSOPVSA-N 2 1 391.559 3.905 20 0 GHADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC001307745294 1049556554 /nfs/dbraw/zinc/55/65/54/1049556554.db2.gz HLYNERJUKLOSDT-DEOSSOPVSA-N 2 1 391.559 3.905 20 0 GHADMP C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001307973953 1049732970 /nfs/dbraw/zinc/73/29/70/1049732970.db2.gz LMVXLXLINRZGQV-VKUXZERMSA-N 2 1 383.580 3.754 20 0 GHADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(C)c(C)c1 ZINC001308082505 1049827454 /nfs/dbraw/zinc/82/74/54/1049827454.db2.gz DPDLCYQMSCNYAU-UHFFFAOYSA-N 2 1 382.548 3.784 20 0 GHADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(C)c(C)c1 ZINC001308082505 1049827455 /nfs/dbraw/zinc/82/74/55/1049827455.db2.gz DPDLCYQMSCNYAU-UHFFFAOYSA-N 2 1 382.548 3.784 20 0 GHADMP Cc1cccc(N2CC[NH+](CCCNC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC001308189108 1049906674 /nfs/dbraw/zinc/90/66/74/1049906674.db2.gz REMKFDDYKZSWGN-UHFFFAOYSA-N 2 1 398.639 3.894 20 0 GHADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC001308207070 1049912393 /nfs/dbraw/zinc/91/23/93/1049912393.db2.gz JCLLVPVXGIFFMC-CTNGQTDRSA-N 2 1 387.568 3.796 20 0 GHADMP CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC001308207071 1049912600 /nfs/dbraw/zinc/91/26/00/1049912600.db2.gz JCLLVPVXGIFFMC-FPOVZHCZSA-N 2 1 387.568 3.796 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)c(I)cc1C ZINC001308207824 1049913033 /nfs/dbraw/zinc/91/30/33/1049913033.db2.gz FXMWCWZZAJDXAG-UHFFFAOYSA-N 2 1 383.277 3.593 20 0 GHADMP CC[C@H](C)Oc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC ZINC001308260346 1049929314 /nfs/dbraw/zinc/92/93/14/1049929314.db2.gz HLHINNVAKAEKSE-PXNSSMCTSA-N 2 1 376.541 3.606 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC001308338675 1049952657 /nfs/dbraw/zinc/95/26/57/1049952657.db2.gz CSZXURNRJAKPSR-MRXNPFEDSA-N 2 1 376.495 3.823 20 0 GHADMP C[C@@H](CC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)[NH+]1CCCCC1 ZINC001308366845 1049959514 /nfs/dbraw/zinc/95/95/14/1049959514.db2.gz OUDZUFQFRWVFEH-HNNXBMFYSA-N 2 1 397.357 3.965 20 0 GHADMP CC(C)(C)OC(=O)CCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001308490261 1049988505 /nfs/dbraw/zinc/98/85/05/1049988505.db2.gz JZFJRZLYJQDPSN-UHFFFAOYSA-N 2 1 378.532 3.934 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001308547697 1050005447 /nfs/dbraw/zinc/00/54/47/1050005447.db2.gz DTNDUZUQIMZACZ-SVFBPWRDSA-N 2 1 395.513 3.903 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(F)c1OC(F)(F)F ZINC001308743352 1050078461 /nfs/dbraw/zinc/07/84/61/1050078461.db2.gz UWNHBTCURRVZLP-INIZCTEOSA-N 2 1 391.453 3.572 20 0 GHADMP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001308903900 1050152113 /nfs/dbraw/zinc/15/21/13/1050152113.db2.gz FXTBQSPMZWQPRB-JDBUVZGPSA-N 2 1 384.564 3.856 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H](n2cncn2)C1 ZINC001327610721 1050232839 /nfs/dbraw/zinc/23/28/39/1050232839.db2.gz FXJMWDFARMSOFE-SWUCNREESA-N 2 1 393.579 3.900 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H](n2cncn2)C1 ZINC001327610723 1050232939 /nfs/dbraw/zinc/23/29/39/1050232939.db2.gz FXJMWDFARMSOFE-YPIGPJMWSA-N 2 1 393.579 3.900 20 0 GHADMP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001327646854 1050242499 /nfs/dbraw/zinc/24/24/99/1050242499.db2.gz JGZPGQUJATXZCX-CQSZACIVSA-N 2 1 393.890 3.713 20 0 GHADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001327646854 1050242510 /nfs/dbraw/zinc/24/25/10/1050242510.db2.gz JGZPGQUJATXZCX-CQSZACIVSA-N 2 1 393.890 3.713 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328449112 1050512002 /nfs/dbraw/zinc/51/20/02/1050512002.db2.gz CSHWHKBMWKFQHT-FQEVSTJZSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328449112 1050512018 /nfs/dbraw/zinc/51/20/18/1050512018.db2.gz CSHWHKBMWKFQHT-FQEVSTJZSA-N 2 1 375.463 3.507 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328449112 1050512032 /nfs/dbraw/zinc/51/20/32/1050512032.db2.gz CSHWHKBMWKFQHT-FQEVSTJZSA-N 2 1 375.463 3.507 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC001328593189 1050553611 /nfs/dbraw/zinc/55/36/11/1050553611.db2.gz DZQHVAUBCLSPHU-NRFANRHFSA-N 2 1 381.495 3.773 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC001328593189 1050553626 /nfs/dbraw/zinc/55/36/26/1050553626.db2.gz DZQHVAUBCLSPHU-NRFANRHFSA-N 2 1 381.495 3.773 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C12CCC[NH+]1CCC2 ZINC001329037122 1050703058 /nfs/dbraw/zinc/70/30/58/1050703058.db2.gz MVGAETKKILATTJ-UHFFFAOYSA-N 2 1 396.362 3.702 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001329284596 1050769739 /nfs/dbraw/zinc/76/97/39/1050769739.db2.gz XIEIHBDZVMNAAJ-FQEVSTJZSA-N 2 1 399.579 3.546 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001329710687 1050890957 /nfs/dbraw/zinc/89/09/57/1050890957.db2.gz NXRSLILEIRWWCE-HYBUGGRVSA-N 2 1 379.548 3.984 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001329710687 1050890968 /nfs/dbraw/zinc/89/09/68/1050890968.db2.gz NXRSLILEIRWWCE-HYBUGGRVSA-N 2 1 379.548 3.984 20 0 GHADMP C[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CC12CCC2)Cc1ccccc1 ZINC001331146968 1051199312 /nfs/dbraw/zinc/19/93/12/1051199312.db2.gz MIOISOXEIYXWIU-QHCPKHFHSA-N 2 1 391.559 3.537 20 0 GHADMP C[N@@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CC12CCC2)Cc1ccccc1 ZINC001331146968 1051199318 /nfs/dbraw/zinc/19/93/18/1051199318.db2.gz MIOISOXEIYXWIU-QHCPKHFHSA-N 2 1 391.559 3.537 20 0 GHADMP C[NH+](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)Cc1ccccc1 ZINC001331146968 1051199323 /nfs/dbraw/zinc/19/93/23/1051199323.db2.gz MIOISOXEIYXWIU-QHCPKHFHSA-N 2 1 391.559 3.537 20 0 GHADMP C[NH+](CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Cc1ccccc1 ZINC001331146968 1051199328 /nfs/dbraw/zinc/19/93/28/1051199328.db2.gz MIOISOXEIYXWIU-QHCPKHFHSA-N 2 1 391.559 3.537 20 0 GHADMP FC(F)(F)Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC001333667686 1051801817 /nfs/dbraw/zinc/80/18/17/1051801817.db2.gz ILAMEYOUZNRXCZ-INIZCTEOSA-N 2 1 383.483 3.902 20 0 GHADMP FC(F)(F)Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC001333667686 1051801834 /nfs/dbraw/zinc/80/18/34/1051801834.db2.gz ILAMEYOUZNRXCZ-INIZCTEOSA-N 2 1 383.483 3.902 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001334971571 1052018128 /nfs/dbraw/zinc/01/81/28/1052018128.db2.gz GZNBXMQJKXAWHN-ZDNVTZCJSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@H]2OCCC[C@H]2C1)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001334971571 1052018138 /nfs/dbraw/zinc/01/81/38/1052018138.db2.gz GZNBXMQJKXAWHN-ZDNVTZCJSA-N 2 1 394.676 3.697 20 0 GHADMP C[Si](C)(CC[NH+]1CC[C@H]2OCCC[C@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001334971571 1052018145 /nfs/dbraw/zinc/01/81/45/1052018145.db2.gz GZNBXMQJKXAWHN-ZDNVTZCJSA-N 2 1 394.676 3.697 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC001335893961 1052199744 /nfs/dbraw/zinc/19/97/44/1052199744.db2.gz YIGGMVWLGLJMIB-LJQANCHMSA-N 2 1 385.895 3.501 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC001311553700 1052241089 /nfs/dbraw/zinc/24/10/89/1052241089.db2.gz GQUUSHKFQFNAGH-NRFANRHFSA-N 2 1 394.563 3.597 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001311553700 1052241097 /nfs/dbraw/zinc/24/10/97/1052241097.db2.gz GQUUSHKFQFNAGH-NRFANRHFSA-N 2 1 394.563 3.597 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3)c1ccccc1 ZINC001311576341 1052258374 /nfs/dbraw/zinc/25/83/74/1052258374.db2.gz MYLHTJUJDPGSLK-JRFVFWCSSA-N 2 1 398.595 3.587 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001311673289 1052320043 /nfs/dbraw/zinc/32/00/43/1052320043.db2.gz OHCCAQNMQZWTLK-HBMCJLEFSA-N 2 1 392.632 3.650 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001311765600 1052382856 /nfs/dbraw/zinc/38/28/56/1052382856.db2.gz NHKRFMXXFQEBTL-QHCPKHFHSA-N 2 1 398.595 3.879 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001311795983 1052402559 /nfs/dbraw/zinc/40/25/59/1052402559.db2.gz NZSOJMRMTXDZNG-AUSIDOKSSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001311795983 1052402565 /nfs/dbraw/zinc/40/25/65/1052402565.db2.gz NZSOJMRMTXDZNG-AUSIDOKSSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC001311795983 1052402571 /nfs/dbraw/zinc/40/25/71/1052402571.db2.gz NZSOJMRMTXDZNG-AUSIDOKSSA-N 2 1 398.595 3.530 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(Cl)cc1 ZINC001311876749 1052451138 /nfs/dbraw/zinc/45/11/38/1052451138.db2.gz DVFIZPZSXCJXJT-HSALFYBXSA-N 2 1 394.991 3.895 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001312268783 1052670692 /nfs/dbraw/zinc/67/06/92/1052670692.db2.gz XIJOWVBVABFYKP-AQCRLBJHSA-N 2 1 388.600 3.876 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](CC)C[C@H]2CC)c1 ZINC001312290056 1052680931 /nfs/dbraw/zinc/68/09/31/1052680931.db2.gz LKVBSRNKKWBTCX-JOCHJYFZSA-N 2 1 388.600 3.934 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](CC)C[C@H]2CC)c1 ZINC001312290056 1052680934 /nfs/dbraw/zinc/68/09/34/1052680934.db2.gz LKVBSRNKKWBTCX-JOCHJYFZSA-N 2 1 388.600 3.934 20 0 GHADMP CC[NH+](CC)CC[C@@H](NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC001312641427 1052821469 /nfs/dbraw/zinc/82/14/69/1052821469.db2.gz AJWWFOPRANSNCS-NHCUHLMSSA-N 2 1 388.600 3.879 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001312642263 1052821927 /nfs/dbraw/zinc/82/19/27/1052821927.db2.gz YARMZIJLHTYYHG-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001312642263 1052821933 /nfs/dbraw/zinc/82/19/33/1052821933.db2.gz YARMZIJLHTYYHG-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001312642263 1052821936 /nfs/dbraw/zinc/82/19/36/1052821936.db2.gz YARMZIJLHTYYHG-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP O=C(c1ccc(-c2ccccc2Cl)o1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001342530651 1053220963 /nfs/dbraw/zinc/22/09/63/1053220963.db2.gz QSABGORUHUQTBQ-CALCHBBNSA-N 2 1 399.922 3.641 20 0 GHADMP O=C(c1ccc(-c2ccccc2Cl)o1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342530651 1053220975 /nfs/dbraw/zinc/22/09/75/1053220975.db2.gz QSABGORUHUQTBQ-CALCHBBNSA-N 2 1 399.922 3.641 20 0 GHADMP CC[N@H+]1CCN(c2nnc(C3CCCC3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001313938208 1053292214 /nfs/dbraw/zinc/29/22/14/1053292214.db2.gz RRRLFXITHZPJJP-IBGZPJMESA-N 2 1 390.620 3.585 20 0 GHADMP CCOc1ccccc1[C@@H]([NH3+])CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC001343423296 1053764472 /nfs/dbraw/zinc/76/44/72/1053764472.db2.gz GOGRKIITACYYSR-UTKZUKDTSA-N 2 1 397.519 3.507 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001318106206 1054415573 /nfs/dbraw/zinc/41/55/73/1054415573.db2.gz SKLCWRRLHFAUBB-OAQYLSRUSA-N 2 1 378.520 3.528 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC001318194469 1054488973 /nfs/dbraw/zinc/48/89/73/1054488973.db2.gz RDDWXUIRQUCXAQ-UHFFFAOYSA-N 2 1 390.597 3.574 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)Nc2ccc3[nH]c(C[NH+]4CCCCC4)nc3c2)cc1 ZINC001318268432 1054536034 /nfs/dbraw/zinc/53/60/34/1054536034.db2.gz HNGXMLUIHFGSFW-UHFFFAOYSA-N 2 1 391.519 3.863 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CSCCc4ccccc43)c2)CC1 ZINC001319393046 1055224253 /nfs/dbraw/zinc/22/42/53/1055224253.db2.gz IOAHXBWFLYJGES-QHCPKHFHSA-N 2 1 381.589 3.554 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC001354115566 1056349316 /nfs/dbraw/zinc/34/93/16/1056349316.db2.gz BNABJCBWJAEYQF-GMHONNGPSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001354115566 1056349329 /nfs/dbraw/zinc/34/93/29/1056349329.db2.gz BNABJCBWJAEYQF-GMHONNGPSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001354115566 1056349341 /nfs/dbraw/zinc/34/93/41/1056349341.db2.gz BNABJCBWJAEYQF-GMHONNGPSA-N 2 1 397.607 3.866 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001322075657 1056505383 /nfs/dbraw/zinc/50/53/83/1056505383.db2.gz WGRGRTQBKXBHAV-XZOQPEGZSA-N 2 1 383.580 3.684 20 0 GHADMP C[S@@](=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001323319135 1056952546 /nfs/dbraw/zinc/95/25/46/1056952546.db2.gz VISPFJYSRQSBKS-HHHXNRCGSA-N 2 1 382.573 3.912 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC001323338793 1056955034 /nfs/dbraw/zinc/95/50/34/1056955034.db2.gz HXPVODQZBYTHKK-XPWALMASSA-N 2 1 383.580 3.823 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)[NH+](C)C ZINC001324100867 1057070082 /nfs/dbraw/zinc/07/00/82/1057070082.db2.gz NALGAVJXPYBUBE-OIBXWCBGSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)[NH+](C)C ZINC001324100867 1057070086 /nfs/dbraw/zinc/07/00/86/1057070086.db2.gz NALGAVJXPYBUBE-OIBXWCBGSA-N 2 1 394.563 3.552 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000848990080 1057495278 /nfs/dbraw/zinc/49/52/78/1057495278.db2.gz XLWDGRHMVCLMQA-MJGOQNOKSA-N 2 1 396.535 3.941 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000849001949 1057507032 /nfs/dbraw/zinc/50/70/32/1057507032.db2.gz UKVDDOZCYWJLKP-KRWDZBQOSA-N 2 1 391.972 3.604 20 0 GHADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000849056388 1057567953 /nfs/dbraw/zinc/56/79/53/1057567953.db2.gz NCFJYEFIJMPOTM-HIFRSBDPSA-N 2 1 387.355 3.525 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849064904 1057575390 /nfs/dbraw/zinc/57/53/90/1057575390.db2.gz IRTVOTPZBJESCK-BGYRXZFFSA-N 3 1 399.627 3.521 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc2c(c1)CCCO2 ZINC001327263096 1057629564 /nfs/dbraw/zinc/62/95/64/1057629564.db2.gz HURUJJBMIRLYBF-LJQANCHMSA-N 2 1 379.548 3.610 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001444838442 1059393291 /nfs/dbraw/zinc/39/32/91/1059393291.db2.gz CNILVYOPJSHTCH-DNQXCXABSA-N 2 1 391.559 3.947 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC001444838442 1059393314 /nfs/dbraw/zinc/39/33/14/1059393314.db2.gz CNILVYOPJSHTCH-DNQXCXABSA-N 2 1 391.559 3.947 20 0 GHADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(C)c(F)c1 ZINC001447028829 1059921287 /nfs/dbraw/zinc/92/12/87/1059921287.db2.gz LVQKQRAVKQFDJO-QFIPXVFZSA-N 2 1 389.559 3.898 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447099055 1059927037 /nfs/dbraw/zinc/92/70/37/1059927037.db2.gz CVCQZUUOGBMDDQ-XPGWFJOJSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447099055 1059927042 /nfs/dbraw/zinc/92/70/42/1059927042.db2.gz CVCQZUUOGBMDDQ-XPGWFJOJSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001447099055 1059927044 /nfs/dbraw/zinc/92/70/44/1059927044.db2.gz CVCQZUUOGBMDDQ-XPGWFJOJSA-N 2 1 393.934 3.605 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001447506785 1059973519 /nfs/dbraw/zinc/97/35/19/1059973519.db2.gz AJANZPSCPPMLEM-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001447506785 1059973522 /nfs/dbraw/zinc/97/35/22/1059973522.db2.gz AJANZPSCPPMLEM-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001447506785 1059973525 /nfs/dbraw/zinc/97/35/25/1059973525.db2.gz AJANZPSCPPMLEM-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001447506785 1059973528 /nfs/dbraw/zinc/97/35/28/1059973528.db2.gz AJANZPSCPPMLEM-ZEQRLZLVSA-N 2 1 391.559 3.774 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001453209129 1061092165 /nfs/dbraw/zinc/09/21/65/1061092165.db2.gz HDFWUAAMRNCQFQ-SFHVURJKSA-N 2 1 394.003 3.831 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC001453209129 1061092183 /nfs/dbraw/zinc/09/21/83/1061092183.db2.gz HDFWUAAMRNCQFQ-SFHVURJKSA-N 2 1 394.003 3.831 20 0 GHADMP C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3cccc(F)c3)CC2)CC1 ZINC001454605583 1061878119 /nfs/dbraw/zinc/87/81/19/1061878119.db2.gz PDTFREFLPUGQKV-NRFANRHFSA-N 2 1 387.543 3.515 20 0 GHADMP C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3cccc(F)c3)CC2)CC1 ZINC001454605583 1061878134 /nfs/dbraw/zinc/87/81/34/1061878134.db2.gz PDTFREFLPUGQKV-NRFANRHFSA-N 2 1 387.543 3.515 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccccc3N3CCC(C[NH+](C)C)CC3)C[N@H+]2C1 ZINC001346947076 1061999411 /nfs/dbraw/zinc/99/94/11/1061999411.db2.gz HILHFDYQOLFQHO-HLAWJBBLSA-N 2 1 398.595 3.524 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001347602721 1062519844 /nfs/dbraw/zinc/51/98/44/1062519844.db2.gz LCZYXPGHYSDREL-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CC[C@@H]1CN(CC)CC[NH+]1CC[Si](C)(C)CC[N@@H+]1CCN(CC)C[C@@H]1CC ZINC001348169834 1062943733 /nfs/dbraw/zinc/94/37/33/1062943733.db2.gz YZVUWOCLGLZDGZ-SZPZYZBQSA-N 2 1 396.740 3.527 20 0 GHADMP CC[C@@H]1CN(CC)CC[N@H+]1CC[Si](C)(C)CC[NH+]1CCN(CC)C[C@@H]1CC ZINC001348169834 1062943735 /nfs/dbraw/zinc/94/37/35/1062943735.db2.gz YZVUWOCLGLZDGZ-SZPZYZBQSA-N 2 1 396.740 3.527 20 0 GHADMP CC[C@@H]1CN(CC)CC[N@@H+]1CC[Si](C)(C)CC[NH+]1CCN(CC)C[C@@H]1CC ZINC001348169834 1062943737 /nfs/dbraw/zinc/94/37/37/1062943737.db2.gz YZVUWOCLGLZDGZ-SZPZYZBQSA-N 2 1 396.740 3.527 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1 ZINC001457208757 1063029106 /nfs/dbraw/zinc/02/91/06/1063029106.db2.gz YGALNRVQDFEMHW-GOTSBHOMSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1ccccc1 ZINC001457208757 1063029127 /nfs/dbraw/zinc/02/91/27/1063029127.db2.gz YGALNRVQDFEMHW-GOTSBHOMSA-N 2 1 394.563 3.635 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001349389429 1063691809 /nfs/dbraw/zinc/69/18/09/1063691809.db2.gz MYDSTNYWOZZENE-RBUKOAKNSA-N 2 1 379.548 3.871 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001438576411 1064075030 /nfs/dbraw/zinc/07/50/30/1064075030.db2.gz XVKPQQDMJWIPMJ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001438576411 1064075041 /nfs/dbraw/zinc/07/50/41/1064075041.db2.gz XVKPQQDMJWIPMJ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001438576411 1064075050 /nfs/dbraw/zinc/07/50/50/1064075050.db2.gz XVKPQQDMJWIPMJ-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001438792750 1064114800 /nfs/dbraw/zinc/11/48/00/1064114800.db2.gz ZRTKQOKFBLZZOE-QHCPKHFHSA-N 2 1 393.531 3.512 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001438792750 1064114807 /nfs/dbraw/zinc/11/48/07/1064114807.db2.gz ZRTKQOKFBLZZOE-QHCPKHFHSA-N 2 1 393.531 3.512 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CCCC4(CCC4)O3)CC2)CC1 ZINC001459604877 1064140100 /nfs/dbraw/zinc/14/01/00/1064140100.db2.gz BYBBNBBPJAXKJF-JOCHJYFZSA-N 2 1 377.617 3.606 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCCC2(CCC2)O1 ZINC001459604877 1064140105 /nfs/dbraw/zinc/14/01/05/1064140105.db2.gz BYBBNBBPJAXKJF-JOCHJYFZSA-N 3 1 377.617 3.606 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCCC2(CCC2)O1 ZINC001459604877 1064140111 /nfs/dbraw/zinc/14/01/11/1064140111.db2.gz BYBBNBBPJAXKJF-JOCHJYFZSA-N 3 1 377.617 3.606 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](CC(C)C)C3)cc2)CC1 ZINC001459766944 1064207582 /nfs/dbraw/zinc/20/75/82/1064207582.db2.gz MKZGDKFXMXMUME-HXUWFJFHSA-N 2 1 386.584 3.525 20 0 GHADMP CCc1ccc(C2=CC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC001459873422 1064251749 /nfs/dbraw/zinc/25/17/49/1064251749.db2.gz IOXQRYKOOJWZLE-XMMPIXPASA-N 2 1 391.559 3.757 20 0 GHADMP CCc1ccc(C2=CC[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC001459873422 1064251752 /nfs/dbraw/zinc/25/17/52/1064251752.db2.gz IOXQRYKOOJWZLE-XMMPIXPASA-N 2 1 391.559 3.757 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001463694630 1064554660 /nfs/dbraw/zinc/55/46/60/1064554660.db2.gz TUFDSGUAIDLHIF-XZOQPEGZSA-N 2 1 379.548 3.769 20 0 GHADMP CCOc1c(Cl)cccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001464475022 1065033413 /nfs/dbraw/zinc/03/34/13/1065033413.db2.gz DXYHYZBYFCFSRQ-UHFFFAOYSA-N 2 1 393.959 3.874 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001464498812 1065047201 /nfs/dbraw/zinc/04/72/01/1065047201.db2.gz UQQAXVLVORRJCV-YJBOKZPZSA-N 2 1 385.474 3.546 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001464553236 1065078427 /nfs/dbraw/zinc/07/84/27/1065078427.db2.gz QOPXBICUSRJOQO-DENIHFKCSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001464553236 1065078438 /nfs/dbraw/zinc/07/84/38/1065078438.db2.gz QOPXBICUSRJOQO-DENIHFKCSA-N 2 1 399.966 3.971 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001464811449 1065224140 /nfs/dbraw/zinc/22/41/40/1065224140.db2.gz MUNOPDNNSSPERF-UGKGYDQZSA-N 2 1 379.548 3.754 20 0 GHADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001465461184 1065635579 /nfs/dbraw/zinc/63/55/79/1065635579.db2.gz WNQQZCOWVPKEMZ-JTHBVZDNSA-N 2 1 383.580 3.937 20 0 GHADMP CC[C@H]1CCC[C@]1(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001465616385 1065747713 /nfs/dbraw/zinc/74/77/13/1065747713.db2.gz ZMWGLSYSNXKRME-REWPJTCUSA-N 2 1 377.617 3.858 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1(C)C ZINC001200314885 1065901767 /nfs/dbraw/zinc/90/17/67/1065901767.db2.gz ROMVTIIBKGQJLN-UXHICEINSA-N 2 1 394.003 3.954 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C[N@@H+]2C1 ZINC001466950240 1066409275 /nfs/dbraw/zinc/40/92/75/1066409275.db2.gz PQTNKJASNAXHDY-UKPHBRMFSA-N 2 1 394.357 3.570 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C[N@H+]2C1 ZINC001466950240 1066409280 /nfs/dbraw/zinc/40/92/80/1066409280.db2.gz PQTNKJASNAXHDY-UKPHBRMFSA-N 2 1 394.357 3.570 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001466962645 1066415828 /nfs/dbraw/zinc/41/58/28/1066415828.db2.gz RNVYNZHGYSRIFI-HXUWFJFHSA-N 2 1 377.960 3.639 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001466962645 1066415836 /nfs/dbraw/zinc/41/58/36/1066415836.db2.gz RNVYNZHGYSRIFI-HXUWFJFHSA-N 2 1 377.960 3.639 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc3c2OCC[NH2+]C3)c1 ZINC001357362311 1067064287 /nfs/dbraw/zinc/06/42/87/1067064287.db2.gz QSPXXORJFGPZKI-UHFFFAOYSA-N 2 1 390.487 3.789 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)C1 ZINC001477615906 1078492546 /nfs/dbraw/zinc/49/25/46/1078492546.db2.gz ZNUKNXQHGWNHNX-IRLDBZIGSA-N 2 1 398.595 3.872 20 0 GHADMP C[C@@H](CNC(=O)N1CCC[C@H]1CC[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC001467673391 1067409970 /nfs/dbraw/zinc/40/99/70/1067409970.db2.gz BMRNBVGRQBNVNF-HKBOAZHASA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001467804771 1067475797 /nfs/dbraw/zinc/47/57/97/1067475797.db2.gz NIHFJEJARMLIAD-GMKZXUHWSA-N 2 1 397.607 3.914 20 0 GHADMP c1cnn(CCCCC[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)c1 ZINC000849127335 1067739730 /nfs/dbraw/zinc/73/97/30/1067739730.db2.gz SQSIZDCGMWAQER-KIHHCIJBSA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000849127335 1067739740 /nfs/dbraw/zinc/73/97/40/1067739740.db2.gz SQSIZDCGMWAQER-KIHHCIJBSA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000849127335 1067739748 /nfs/dbraw/zinc/73/97/48/1067739748.db2.gz SQSIZDCGMWAQER-KIHHCIJBSA-N 2 1 378.564 3.896 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC001468760034 1067865006 /nfs/dbraw/zinc/86/50/06/1067865006.db2.gz KQQGDXAUOOGFKI-GOSISDBHSA-N 2 1 394.629 3.722 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccccc1 ZINC001477907215 1078622146 /nfs/dbraw/zinc/62/21/46/1078622146.db2.gz XUNWSIHHYVDVDH-GHTZIAJQSA-N 2 1 386.584 3.822 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001469570448 1068230921 /nfs/dbraw/zinc/23/09/21/1068230921.db2.gz VMAATFIHUMSCCU-XKCSPQBFSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001469570448 1068230934 /nfs/dbraw/zinc/23/09/34/1068230934.db2.gz VMAATFIHUMSCCU-XKCSPQBFSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001469570448 1068230947 /nfs/dbraw/zinc/23/09/47/1068230947.db2.gz VMAATFIHUMSCCU-XKCSPQBFSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC001469757433 1068364459 /nfs/dbraw/zinc/36/44/59/1068364459.db2.gz CMDMSLFTYUJGIY-IFMALSPDSA-N 2 1 388.600 3.707 20 0 GHADMP C[N@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC001469761348 1068368260 /nfs/dbraw/zinc/36/82/60/1068368260.db2.gz WQLUHZGISLPUKE-UHFFFAOYSA-N 2 1 383.561 3.945 20 0 GHADMP C[N@@H+](CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC001469761348 1068368272 /nfs/dbraw/zinc/36/82/72/1068368272.db2.gz WQLUHZGISLPUKE-UHFFFAOYSA-N 2 1 383.561 3.945 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[NH+]2C1)Cc1ccccc1 ZINC001469843235 1068424475 /nfs/dbraw/zinc/42/44/75/1068424475.db2.gz DVPIGLKHNGHWKV-WWNPGLIZSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCC[NH+](CCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1)Cc1ccccc1 ZINC001469843235 1068424478 /nfs/dbraw/zinc/42/44/78/1068424478.db2.gz DVPIGLKHNGHWKV-WWNPGLIZSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCC[NH+](CCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1)Cc1ccccc1 ZINC001469843235 1068424481 /nfs/dbraw/zinc/42/44/81/1068424481.db2.gz DVPIGLKHNGHWKV-WWNPGLIZSA-N 2 1 385.596 3.915 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC001469979755 1068500448 /nfs/dbraw/zinc/50/04/48/1068500448.db2.gz VVLNTAJLEYLEPU-FGZHOGPDSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001469979755 1068500460 /nfs/dbraw/zinc/50/04/60/1068500460.db2.gz VVLNTAJLEYLEPU-FGZHOGPDSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001469979755 1068500469 /nfs/dbraw/zinc/50/04/69/1068500469.db2.gz VVLNTAJLEYLEPU-FGZHOGPDSA-N 2 1 390.616 3.880 20 0 GHADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC001460082523 1068770492 /nfs/dbraw/zinc/77/04/92/1068770492.db2.gz VEYOJRHZDKUELF-FQEVSTJZSA-N 2 1 377.960 3.858 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187812 1068846120 /nfs/dbraw/zinc/84/61/20/1068846120.db2.gz TVTPYHVTRPADCG-UHOSZYNNSA-N 2 1 381.358 3.679 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187812 1068846129 /nfs/dbraw/zinc/84/61/29/1068846129.db2.gz TVTPYHVTRPADCG-UHOSZYNNSA-N 2 1 381.358 3.679 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC001460187812 1068846137 /nfs/dbraw/zinc/84/61/37/1068846137.db2.gz TVTPYHVTRPADCG-UHOSZYNNSA-N 2 1 381.358 3.679 20 0 GHADMP O=C(C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC001460303744 1068915399 /nfs/dbraw/zinc/91/53/99/1068915399.db2.gz GWXJZNDVQJBPTK-UHFFFAOYSA-N 2 1 392.475 3.547 20 0 GHADMP O=C(C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC001460303744 1068915403 /nfs/dbraw/zinc/91/54/03/1068915403.db2.gz GWXJZNDVQJBPTK-UHFFFAOYSA-N 2 1 392.475 3.547 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514798 1068984256 /nfs/dbraw/zinc/98/42/56/1068984256.db2.gz PMWGSMWRSKULHY-VXKWHMMOSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514798 1068984258 /nfs/dbraw/zinc/98/42/58/1068984258.db2.gz PMWGSMWRSKULHY-VXKWHMMOSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC4(CCC4)CO3)C2)ccn1 ZINC001460514798 1068984262 /nfs/dbraw/zinc/98/42/62/1068984262.db2.gz PMWGSMWRSKULHY-VXKWHMMOSA-N 2 1 387.568 3.724 20 0 GHADMP CC(C)OCC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460536472 1068990511 /nfs/dbraw/zinc/99/05/11/1068990511.db2.gz AGSNZHNIJYDVHE-DHIUTWEWSA-N 2 1 388.596 3.785 20 0 GHADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460549458 1068992908 /nfs/dbraw/zinc/99/29/08/1068992908.db2.gz WBWHRYIYKQXFIO-SIKLNZKXSA-N 2 1 385.596 3.864 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460973008 1069307876 /nfs/dbraw/zinc/30/78/76/1069307876.db2.gz LSSHBYMUWYUNMH-GHTZIAJQSA-N 2 1 376.545 3.599 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460973008 1069307891 /nfs/dbraw/zinc/30/78/91/1069307891.db2.gz LSSHBYMUWYUNMH-GHTZIAJQSA-N 2 1 376.545 3.599 20 0 GHADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC001478519955 1078902881 /nfs/dbraw/zinc/90/28/81/1078902881.db2.gz ZLCJWGWTSVVDCU-UHFFFAOYSA-N 2 1 390.616 3.693 20 0 GHADMP C[NH+](C)CC1(C(=O)N2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)CCCCC1 ZINC001470777381 1072733175 /nfs/dbraw/zinc/73/31/75/1072733175.db2.gz PTVWNEWDCFKZRO-PSWAGMNNSA-N 2 1 397.607 3.869 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001472471531 1073503703 /nfs/dbraw/zinc/50/37/03/1073503703.db2.gz PUUZTAUNWIALQM-QFIPXVFZSA-N 2 1 379.548 3.749 20 0 GHADMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001472487743 1073507435 /nfs/dbraw/zinc/50/74/35/1073507435.db2.gz VLWYPIGEKMQRIM-HJOGWXRNSA-N 2 1 391.559 3.633 20 0 GHADMP CC[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC001472487743 1073507450 /nfs/dbraw/zinc/50/74/50/1073507450.db2.gz VLWYPIGEKMQRIM-HJOGWXRNSA-N 2 1 391.559 3.633 20 0 GHADMP CC[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC001472487743 1073507463 /nfs/dbraw/zinc/50/74/63/1073507463.db2.gz VLWYPIGEKMQRIM-HJOGWXRNSA-N 2 1 391.559 3.633 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC3(CCOCC3)CO2)CC[N@@H+]1Cc1ccccc1 ZINC001473205477 1073858933 /nfs/dbraw/zinc/85/89/33/1073858933.db2.gz HZJOFRGMBGNBEU-YMPZKCBVSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCC3(CCOCC3)CO2)CC[N@H+]1Cc1ccccc1 ZINC001473205477 1073858941 /nfs/dbraw/zinc/85/89/41/1073858941.db2.gz HZJOFRGMBGNBEU-YMPZKCBVSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC3(CCOCC3)CO2)CC[NH+]1Cc1ccccc1 ZINC001473205477 1073858947 /nfs/dbraw/zinc/85/89/47/1073858947.db2.gz HZJOFRGMBGNBEU-YMPZKCBVSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC3(CCOCC3)CO2)CC[NH+]1Cc1ccccc1 ZINC001473205477 1073858958 /nfs/dbraw/zinc/85/89/58/1073858958.db2.gz HZJOFRGMBGNBEU-YMPZKCBVSA-N 2 1 386.580 3.947 20 0 GHADMP CC(C)[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473221638 1073870647 /nfs/dbraw/zinc/87/06/47/1073870647.db2.gz BJXILOQALSMIPO-XLIONFOSSA-N 2 1 377.960 3.571 20 0 GHADMP CC(C)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473221638 1073870658 /nfs/dbraw/zinc/87/06/58/1073870658.db2.gz BJXILOQALSMIPO-XLIONFOSSA-N 2 1 377.960 3.571 20 0 GHADMP CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001473224434 1073873643 /nfs/dbraw/zinc/87/36/43/1073873643.db2.gz ZBAIGUQEKPUNII-VWNXMTODSA-N 2 1 379.548 3.661 20 0 GHADMP Cc1cccc([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001473374203 1073938545 /nfs/dbraw/zinc/93/85/45/1073938545.db2.gz GPVNEDVZEHPHTL-AGILITTLSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1cccc([C@@H]2CC[NH+]([C@H](C)C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001473374203 1073938550 /nfs/dbraw/zinc/93/85/50/1073938550.db2.gz GPVNEDVZEHPHTL-AGILITTLSA-N 2 1 391.559 3.564 20 0 GHADMP Cc1cccc([C@@H]2CC[NH+]([C@H](C)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001473374203 1073938555 /nfs/dbraw/zinc/93/85/55/1073938555.db2.gz GPVNEDVZEHPHTL-AGILITTLSA-N 2 1 391.559 3.564 20 0 GHADMP CC[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC001479349663 1079186430 /nfs/dbraw/zinc/18/64/30/1079186430.db2.gz YZBYUOZPMGNYEM-QHCPKHFHSA-N 2 1 396.579 3.958 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H](C)C1 ZINC001474001687 1074232740 /nfs/dbraw/zinc/23/27/40/1074232740.db2.gz ADRJUDSVAFUBTN-UWJYYQICSA-N 2 1 390.959 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)[C@@H](C)C1 ZINC001474001687 1074232750 /nfs/dbraw/zinc/23/27/50/1074232750.db2.gz ADRJUDSVAFUBTN-UWJYYQICSA-N 2 1 390.959 3.752 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001474067864 1074252708 /nfs/dbraw/zinc/25/27/08/1074252708.db2.gz HUHJHSPOGZQDEC-SJORKVTESA-N 2 1 399.398 3.638 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2csc(-c3ccn(C)n3)n2)C[N@H+]1Cc1ccccc1 ZINC001474072883 1074254467 /nfs/dbraw/zinc/25/44/67/1074254467.db2.gz ACQKYIOIQDLYJZ-MJGOQNOKSA-N 2 1 395.576 3.934 20 0 GHADMP FC1(F)Oc2cccc(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2O1 ZINC001474214382 1074296336 /nfs/dbraw/zinc/29/63/36/1074296336.db2.gz VLOFCYDWCTYYFG-UHFFFAOYSA-N 2 1 388.458 3.847 20 0 GHADMP C[NH+]1CCN(c2ccc(NCc3cnc(Cl)c(F)c3)c3c[nH+]ccc32)CC1 ZINC001474301382 1074331609 /nfs/dbraw/zinc/33/16/09/1074331609.db2.gz BUNAGBBFTSTJDD-UHFFFAOYSA-N 2 1 385.874 3.786 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccnc12 ZINC001474339407 1074350837 /nfs/dbraw/zinc/35/08/37/1074350837.db2.gz IZNIDHXPSQUIJV-IBGZPJMESA-N 2 1 395.547 3.965 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+]3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)ccnc12 ZINC001474339407 1074350845 /nfs/dbraw/zinc/35/08/45/1074350845.db2.gz IZNIDHXPSQUIJV-IBGZPJMESA-N 2 1 395.547 3.965 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001474387095 1074379367 /nfs/dbraw/zinc/37/93/67/1074379367.db2.gz PNGCABRLDLEIFU-QKQBLWMGSA-N 2 1 399.579 3.932 20 0 GHADMP FC(F)(F)c1ccn(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)n1 ZINC001474694741 1074519498 /nfs/dbraw/zinc/51/94/98/1074519498.db2.gz MXKFTDFZFLOTJS-BZSNNMDCSA-N 2 1 378.442 3.545 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[NH+](C(C)C)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001495638914 1079425517 /nfs/dbraw/zinc/42/55/17/1079425517.db2.gz IFUJEVYXTDFLRH-UXHICEINSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCCC[NH+]1CC ZINC001495638914 1079425522 /nfs/dbraw/zinc/42/55/22/1079425522.db2.gz IFUJEVYXTDFLRH-UXHICEINSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H]1CCCC[NH+]1CC ZINC001495638914 1079425525 /nfs/dbraw/zinc/42/55/25/1079425525.db2.gz IFUJEVYXTDFLRH-UXHICEINSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@@H]3O)s2)cc1 ZINC001550422411 1126206273 /nfs/dbraw/zinc/20/62/73/1126206273.db2.gz VPVWOJLGENNEIN-AQCRLBJHSA-N 2 1 385.577 3.688 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000359893537 212121797 /nfs/dbraw/zinc/12/17/97/212121797.db2.gz DUIRGLOARRIGBX-AAIMPIBUSA-N 2 1 377.532 3.985 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000820702999 607473204 /nfs/dbraw/zinc/47/32/04/607473204.db2.gz CFCRHOKIZCZUOL-INIZCTEOSA-N 2 1 394.498 3.670 20 0 GHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000820704531 606914979 /nfs/dbraw/zinc/91/49/79/606914979.db2.gz OPGZHQCYCACYHK-MSOLQXFVSA-N 2 1 382.556 3.904 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4C[C@H]5[NH2+]Cc6ccccc6[C@H]5C4)ccc3C2)cc1 ZINC001164425883 718941746 /nfs/dbraw/zinc/94/17/46/718941746.db2.gz XQNWTOMKZKZXAS-ILBGXUMGSA-N 2 1 396.538 3.716 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164795724 721497810 /nfs/dbraw/zinc/49/78/10/721497810.db2.gz KWQXAEXZTIXJQL-UHFFFAOYSA-N 2 1 391.563 3.958 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nc1 ZINC001165055643 722019876 /nfs/dbraw/zinc/01/98/76/722019876.db2.gz RVSSDJJCUVGDCX-QHCPKHFHSA-N 2 1 393.579 3.778 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)c1 ZINC000414079449 837403502 /nfs/dbraw/zinc/40/35/02/837403502.db2.gz CFQORBBIPQEWRK-NQIIRXRSSA-N 2 1 395.547 3.552 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000431770357 837421277 /nfs/dbraw/zinc/42/12/77/837421277.db2.gz KWPAAXPCEDMVHD-RBBKRZOGSA-N 2 1 375.601 3.754 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655691712 837674652 /nfs/dbraw/zinc/67/46/52/837674652.db2.gz GKNIXKJOYLVMPW-BKSPAHHJSA-N 2 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691712 837674662 /nfs/dbraw/zinc/67/46/62/837674662.db2.gz GKNIXKJOYLVMPW-BKSPAHHJSA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691712 837674666 /nfs/dbraw/zinc/67/46/66/837674666.db2.gz GKNIXKJOYLVMPW-BKSPAHHJSA-N 3 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691712 837674672 /nfs/dbraw/zinc/67/46/72/837674672.db2.gz GKNIXKJOYLVMPW-BKSPAHHJSA-N 2 1 399.623 3.898 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655691712 837674680 /nfs/dbraw/zinc/67/46/80/837674680.db2.gz GKNIXKJOYLVMPW-BKSPAHHJSA-N 2 1 399.623 3.898 20 0 GHADMP Cc1cc(Br)cc(C)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703929 837693437 /nfs/dbraw/zinc/69/34/37/837693437.db2.gz NUCKFDDJQDLQKD-GOSISDBHSA-N 2 1 381.358 3.799 20 0 GHADMP COCCSc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655708697 837714837 /nfs/dbraw/zinc/71/48/37/837714837.db2.gz MBKBQZYVAUMJAC-FXAWDEMLSA-N 2 1 378.582 3.719 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000579714109 834422698 /nfs/dbraw/zinc/42/26/98/834422698.db2.gz VLTBYHJIIWITHA-SFHVURJKSA-N 2 1 384.351 3.606 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000583490457 834489977 /nfs/dbraw/zinc/48/99/77/834489977.db2.gz HDMRLHQAJJKIAW-INIZCTEOSA-N 2 1 380.414 3.719 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879899 834622308 /nfs/dbraw/zinc/62/23/08/834622308.db2.gz JVWPOBMLWSPGGE-CNNODRBYSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(-n2ccnn2)cc1 ZINC000090879899 834622315 /nfs/dbraw/zinc/62/23/15/834622315.db2.gz JVWPOBMLWSPGGE-CNNODRBYSA-N 2 1 375.520 3.971 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000650722549 834689755 /nfs/dbraw/zinc/68/97/55/834689755.db2.gz WGMTWVUBWWJLDJ-QRQLOZEOSA-N 2 1 375.513 3.810 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1OCC(C)C ZINC000650721916 834698299 /nfs/dbraw/zinc/69/82/99/834698299.db2.gz FUPUUPXVNWEDJA-KCZVDYSFSA-N 2 1 390.568 3.981 20 0 GHADMP C[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511255461 834716805 /nfs/dbraw/zinc/71/68/05/834716805.db2.gz YJLHQGDHZBAKMU-CTNGQTDRSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000510075393 834898498 /nfs/dbraw/zinc/89/84/98/834898498.db2.gz ZRJFIAAFMREYAN-SIKLNZKXSA-N 2 1 379.548 3.779 20 0 GHADMP Fc1cc(C(F)(F)F)cc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000655758110 837822999 /nfs/dbraw/zinc/82/29/99/837822999.db2.gz QTWCIVTUCVRZFL-GOSISDBHSA-N 2 1 386.433 3.719 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(-c2nc([C@@H]3C[NH+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000685401602 834983574 /nfs/dbraw/zinc/98/35/74/834983574.db2.gz ACJKAHPDXVGWPP-UGKGYDQZSA-N 2 1 384.524 3.894 20 0 GHADMP CCC[NH+](CC)Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000685401602 834983579 /nfs/dbraw/zinc/98/35/79/834983579.db2.gz ACJKAHPDXVGWPP-UGKGYDQZSA-N 2 1 384.524 3.894 20 0 GHADMP CCC[NH+](CC)Cc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000685401602 834983586 /nfs/dbraw/zinc/98/35/86/834983586.db2.gz ACJKAHPDXVGWPP-UGKGYDQZSA-N 2 1 384.524 3.894 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000130265902 835012333 /nfs/dbraw/zinc/01/23/33/835012333.db2.gz SENNLFCIMQNCOK-INIZCTEOSA-N 2 1 378.476 3.729 20 0 GHADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000151948907 835080553 /nfs/dbraw/zinc/08/05/53/835080553.db2.gz UWECSTMEHCTTOO-IAGOWNOFSA-N 2 1 377.960 3.655 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000151948907 835080563 /nfs/dbraw/zinc/08/05/63/835080563.db2.gz UWECSTMEHCTTOO-IAGOWNOFSA-N 2 1 377.960 3.655 20 0 GHADMP N#Cc1ccc(-c2ccn(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000065941452 835150175 /nfs/dbraw/zinc/15/01/75/835150175.db2.gz QOOMQVFAIZUOLE-UHFFFAOYSA-N 2 1 377.536 3.967 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000685606105 835217879 /nfs/dbraw/zinc/21/78/79/835217879.db2.gz NJHFEXIDLBTHOP-SFTDATJTSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000685606105 835217889 /nfs/dbraw/zinc/21/78/89/835217889.db2.gz NJHFEXIDLBTHOP-SFTDATJTSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685606105 835217899 /nfs/dbraw/zinc/21/78/99/835217899.db2.gz NJHFEXIDLBTHOP-SFTDATJTSA-N 2 1 390.531 3.586 20 0 GHADMP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000685606105 835217902 /nfs/dbraw/zinc/21/79/02/835217902.db2.gz NJHFEXIDLBTHOP-SFTDATJTSA-N 2 1 390.531 3.586 20 0 GHADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000685632471 835240731 /nfs/dbraw/zinc/24/07/31/835240731.db2.gz ZLGTWXPDNWXOBJ-HXUWFJFHSA-N 2 1 375.520 3.864 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000583944704 835276821 /nfs/dbraw/zinc/27/68/21/835276821.db2.gz UOFSBYKHXFNLEV-GOSISDBHSA-N 2 1 383.580 3.938 20 0 GHADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1F ZINC000655162628 835323634 /nfs/dbraw/zinc/32/36/34/835323634.db2.gz NTRFTZCPSUYLSW-NRFANRHFSA-N 2 1 375.532 3.589 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1)CC1CC1 ZINC000430240780 835335536 /nfs/dbraw/zinc/33/55/36/835335536.db2.gz ONLJRIAFZSYJLH-UHFFFAOYSA-N 2 1 381.568 3.660 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)CC(F)(F)F ZINC000612050548 835437857 /nfs/dbraw/zinc/43/78/57/835437857.db2.gz PHXDEHWKYMIIRR-UHFFFAOYSA-N 2 1 391.522 3.620 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1OCC ZINC000658141610 835451991 /nfs/dbraw/zinc/45/19/91/835451991.db2.gz SNGVLDAPOREABS-GCJKJVERSA-N 2 1 398.547 3.901 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1OC(F)F ZINC000658142175 835453970 /nfs/dbraw/zinc/45/39/70/835453970.db2.gz VCLXDCVXFDZHHV-KSSFIOAISA-N 2 1 394.437 3.845 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccc(F)cc1 ZINC000584082113 835564807 /nfs/dbraw/zinc/56/48/07/835564807.db2.gz AIXWJTNKOYCAHJ-PMACEKPBSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccc(F)cc1 ZINC000584082113 835564810 /nfs/dbraw/zinc/56/48/10/835564810.db2.gz AIXWJTNKOYCAHJ-PMACEKPBSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccc(F)cc1 ZINC000584082113 835564813 /nfs/dbraw/zinc/56/48/13/835564813.db2.gz AIXWJTNKOYCAHJ-PMACEKPBSA-N 2 1 381.495 3.608 20 0 GHADMP CC[NH+](CC)[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)Cc1ccccc1 ZINC000151732121 835790118 /nfs/dbraw/zinc/79/01/18/835790118.db2.gz GLWBLJWMLJMBSR-XMMPIXPASA-N 2 1 380.580 3.589 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)c1 ZINC000154705414 835944583 /nfs/dbraw/zinc/94/45/83/835944583.db2.gz ORLBEZVRHLIEFQ-OAQYLSRUSA-N 2 1 396.535 3.637 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000154705414 835944589 /nfs/dbraw/zinc/94/45/89/835944589.db2.gz ORLBEZVRHLIEFQ-OAQYLSRUSA-N 2 1 396.535 3.637 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000471220980 835963836 /nfs/dbraw/zinc/96/38/36/835963836.db2.gz PQLMHERTCYAOEY-UHFFFAOYSA-N 2 1 393.575 3.579 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647471487 836053633 /nfs/dbraw/zinc/05/36/33/836053633.db2.gz CJWFIAMFEYPDMH-IBGZPJMESA-N 2 1 381.524 3.851 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000473279443 844143941 /nfs/dbraw/zinc/14/39/41/844143941.db2.gz BORHGYSJWBZHGC-OAQYLSRUSA-N 2 1 385.939 3.507 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000473279443 844143949 /nfs/dbraw/zinc/14/39/49/844143949.db2.gz BORHGYSJWBZHGC-OAQYLSRUSA-N 2 1 385.939 3.507 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483489 844154953 /nfs/dbraw/zinc/15/49/53/844154953.db2.gz XDJYVQXXIYGEJN-NKKJXINNSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483489 844154957 /nfs/dbraw/zinc/15/49/57/844154957.db2.gz XDJYVQXXIYGEJN-NKKJXINNSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000612565508 836411313 /nfs/dbraw/zinc/41/13/13/836411313.db2.gz PCYYCXYYDOWHHH-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000613491108 836543768 /nfs/dbraw/zinc/54/37/68/836543768.db2.gz FTHALXUZYHZNOC-UHFFFAOYSA-N 2 1 375.582 3.569 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000613491108 836543773 /nfs/dbraw/zinc/54/37/73/836543773.db2.gz FTHALXUZYHZNOC-UHFFFAOYSA-N 2 1 375.582 3.569 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000471280175 836842349 /nfs/dbraw/zinc/84/23/49/836842349.db2.gz QLKDQWBEKYGVRQ-GGAORHGYSA-N 2 1 379.548 3.708 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000510933032 844214542 /nfs/dbraw/zinc/21/45/42/844214542.db2.gz YMZPTOHBHVULKV-FQUZAXHOSA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(C[NH+]2C[C@@H](c3ccccc3)[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000510933032 844214551 /nfs/dbraw/zinc/21/45/51/844214551.db2.gz YMZPTOHBHVULKV-FQUZAXHOSA-N 2 1 375.560 3.871 20 0 GHADMP c1ccc(C[NH+]2C[C@@H](c3ccccc3)[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000510933032 844214561 /nfs/dbraw/zinc/21/45/61/844214561.db2.gz YMZPTOHBHVULKV-FQUZAXHOSA-N 2 1 375.560 3.871 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000511402586 837036615 /nfs/dbraw/zinc/03/66/15/837036615.db2.gz VKVXZCOIUWTHSH-VAMGGRTRSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000511402586 837036626 /nfs/dbraw/zinc/03/66/26/837036626.db2.gz VKVXZCOIUWTHSH-VAMGGRTRSA-N 2 1 392.632 3.839 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000511402586 837036638 /nfs/dbraw/zinc/03/66/38/837036638.db2.gz VKVXZCOIUWTHSH-VAMGGRTRSA-N 2 1 392.632 3.839 20 0 GHADMP COc1ccc(C[NH+]2CCC(CNc3cc[nH+]cc3Br)CC2)cc1 ZINC000547825026 837128667 /nfs/dbraw/zinc/12/86/67/837128667.db2.gz FRIBMYDEQSSBND-UHFFFAOYSA-N 2 1 390.325 3.599 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000549770209 844248103 /nfs/dbraw/zinc/24/81/03/844248103.db2.gz QOSMJEMNSSBQQX-BJKOFHAPSA-N 2 1 393.575 3.578 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000549770209 844248106 /nfs/dbraw/zinc/24/81/06/844248106.db2.gz QOSMJEMNSSBQQX-BJKOFHAPSA-N 2 1 393.575 3.578 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000549770209 844248115 /nfs/dbraw/zinc/24/81/15/844248115.db2.gz QOSMJEMNSSBQQX-BJKOFHAPSA-N 2 1 393.575 3.578 20 0 GHADMP Brc1cccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000414356098 837347742 /nfs/dbraw/zinc/34/77/42/837347742.db2.gz YJSHIWNFMRNOBC-WOJBJXKFSA-N 2 1 392.385 3.630 20 0 GHADMP CC[N@@H+](CCCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CCCCC1 ZINC000659042873 837366897 /nfs/dbraw/zinc/36/68/97/837366897.db2.gz WPEAYFLUHKCIKA-NRFANRHFSA-N 2 1 388.556 3.514 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000655779575 837854527 /nfs/dbraw/zinc/85/45/27/837854527.db2.gz OAWXAWPPIFKOPG-AYHJJNSGSA-N 2 1 389.341 3.658 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000655779575 837854540 /nfs/dbraw/zinc/85/45/40/837854540.db2.gz OAWXAWPPIFKOPG-AYHJJNSGSA-N 2 1 389.341 3.658 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1)C(C)C ZINC000110147135 844273099 /nfs/dbraw/zinc/27/30/99/844273099.db2.gz RTGKXWOBXGCPPH-HSZRJFAPSA-N 2 1 381.564 3.820 20 0 GHADMP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)cc2Cl)CC1 ZINC001125381598 837961458 /nfs/dbraw/zinc/96/14/58/837961458.db2.gz YWLYHRJPZQWRAC-FQEVSTJZSA-N 2 1 392.975 3.683 20 0 GHADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccnn1-c1ccccc1 ZINC000423581399 837976145 /nfs/dbraw/zinc/97/61/45/837976145.db2.gz YZTIEKFLVNUDEM-HXUWFJFHSA-N 2 1 389.547 3.516 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431852347 838023227 /nfs/dbraw/zinc/02/32/27/838023227.db2.gz WNQRTMDUWWBHIE-LSWJPFSZSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000431852347 838023232 /nfs/dbraw/zinc/02/32/32/838023232.db2.gz WNQRTMDUWWBHIE-LSWJPFSZSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000431852347 838023241 /nfs/dbraw/zinc/02/32/41/838023241.db2.gz WNQRTMDUWWBHIE-LSWJPFSZSA-N 2 1 383.580 3.953 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)[C@H]1c1cccs1 ZINC000659264027 838027871 /nfs/dbraw/zinc/02/78/71/838027871.db2.gz JFHYAONBFNKTDW-KNKQGSTJSA-N 2 1 397.588 3.940 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000683643984 838128314 /nfs/dbraw/zinc/12/83/14/838128314.db2.gz MEMJBXMNEYACAP-LJQANCHMSA-N 2 1 399.579 3.544 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000377911044 838148472 /nfs/dbraw/zinc/14/84/72/838148472.db2.gz MFRYLYVPWWTSFU-LJQANCHMSA-N 2 1 388.943 3.595 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659285400 838201737 /nfs/dbraw/zinc/20/17/37/838201737.db2.gz OBNSLRLTGQFZLV-JPYJTQIMSA-N 2 1 377.532 3.912 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccccc3C[NH+]3CCSCC3)cc21 ZINC000659284291 838209044 /nfs/dbraw/zinc/20/90/44/838209044.db2.gz CZUDOAIDYKPQPH-IBGZPJMESA-N 2 1 395.572 3.866 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415914322 838262950 /nfs/dbraw/zinc/26/29/50/838262950.db2.gz WCIBDPSCCJHMDK-QUCCMNQESA-N 2 1 380.536 3.828 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415931425 838280030 /nfs/dbraw/zinc/28/00/30/838280030.db2.gz BQMAZUOLVIOLAZ-SFHVURJKSA-N 2 1 396.535 3.578 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659323196 838286714 /nfs/dbraw/zinc/28/67/14/838286714.db2.gz DSJICPIAVJYCIJ-AUSIDOKSSA-N 2 1 391.559 3.802 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659323199 838286913 /nfs/dbraw/zinc/28/69/13/838286913.db2.gz DSJICPIAVJYCIJ-WMZHIEFXSA-N 2 1 391.559 3.802 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415941237 838293217 /nfs/dbraw/zinc/29/32/17/838293217.db2.gz FUNDKXOKSLIUTO-NRFANRHFSA-N 2 1 380.536 3.924 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000415939536 838293437 /nfs/dbraw/zinc/29/34/37/838293437.db2.gz YZRKLONBUNFTLY-YADHBBJMSA-N 2 1 392.547 3.782 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000415954544 838315947 /nfs/dbraw/zinc/31/59/47/838315947.db2.gz GYXYMMGJFWPUTP-YADHBBJMSA-N 2 1 394.519 3.514 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000415974451 838331810 /nfs/dbraw/zinc/33/18/10/838331810.db2.gz LHSHCKXPHKMZNV-SFHVURJKSA-N 2 1 392.425 3.560 20 0 GHADMP COc1ccc(C[N@H+](CCO)Cc2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1 ZINC001167332970 838465493 /nfs/dbraw/zinc/46/54/93/838465493.db2.gz UTTYAXUCPKJCNY-UHFFFAOYSA-N 2 1 398.547 3.684 20 0 GHADMP COc1ccc(C[N@@H+](CCO)Cc2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1 ZINC001167332970 838465499 /nfs/dbraw/zinc/46/54/99/838465499.db2.gz UTTYAXUCPKJCNY-UHFFFAOYSA-N 2 1 398.547 3.684 20 0 GHADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCCCCC1 ZINC000535713728 844332011 /nfs/dbraw/zinc/33/20/11/844332011.db2.gz QHXMJTAPXYHCMW-MDYRTPRTSA-N 2 1 395.950 3.853 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC[N@@H+]1C ZINC000537956001 838526402 /nfs/dbraw/zinc/52/64/02/838526402.db2.gz VRLQTNXILAJFFW-AAEUAGOBSA-N 2 1 395.263 3.919 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Br)cc2C(F)(F)F)CC[N@H+]1C ZINC000537956001 838526411 /nfs/dbraw/zinc/52/64/11/838526411.db2.gz VRLQTNXILAJFFW-AAEUAGOBSA-N 2 1 395.263 3.919 20 0 GHADMP Cn1c2ccc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561729 838626452 /nfs/dbraw/zinc/62/64/52/838626452.db2.gz WWLMULLZPRYZGL-PMACEKPBSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561729 838626457 /nfs/dbraw/zinc/62/64/57/838626457.db2.gz WWLMULLZPRYZGL-PMACEKPBSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561729 838626458 /nfs/dbraw/zinc/62/64/58/838626458.db2.gz WWLMULLZPRYZGL-PMACEKPBSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2sc1=O ZINC000584561729 838626463 /nfs/dbraw/zinc/62/64/63/838626463.db2.gz WWLMULLZPRYZGL-PMACEKPBSA-N 2 1 393.556 3.554 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)c2)C[C@@H](C)O1 ZINC000416165939 838660155 /nfs/dbraw/zinc/66/01/55/838660155.db2.gz JAOMAXGPQODBTG-PWHSHALESA-N 2 1 395.547 3.927 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000416165941 838660235 /nfs/dbraw/zinc/66/02/35/838660235.db2.gz JAOMAXGPQODBTG-YYDVJCTNSA-N 2 1 395.547 3.927 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000416165941 838660236 /nfs/dbraw/zinc/66/02/36/838660236.db2.gz JAOMAXGPQODBTG-YYDVJCTNSA-N 2 1 395.547 3.927 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C2CC2)c1 ZINC000580174757 839010270 /nfs/dbraw/zinc/01/02/70/839010270.db2.gz LFXLJLBLRRGHPP-GOSISDBHSA-N 2 1 377.532 3.802 20 0 GHADMP C[NH+]1CCC(CCO)([NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000580214179 839067577 /nfs/dbraw/zinc/06/75/77/839067577.db2.gz MUFORUKBDHUVPN-UHFFFAOYSA-N 2 1 383.355 3.600 20 0 GHADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000580223417 839077103 /nfs/dbraw/zinc/07/71/03/839077103.db2.gz KUPPGXOSPXDUMG-PKTZIBPZSA-N 2 1 386.580 3.710 20 0 GHADMP Brc1ccc(-n2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415041096 839105683 /nfs/dbraw/zinc/10/56/83/839105683.db2.gz KWCYMUQQVCEBGW-QFBILLFUSA-N 2 1 389.341 3.599 20 0 GHADMP Brc1ccc(-n2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415041096 839105686 /nfs/dbraw/zinc/10/56/86/839105686.db2.gz KWCYMUQQVCEBGW-QFBILLFUSA-N 2 1 389.341 3.599 20 0 GHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415054848 839136484 /nfs/dbraw/zinc/13/64/84/839136484.db2.gz NVTRDACGOBPRTA-UHFFFAOYSA-N 2 1 396.560 3.862 20 0 GHADMP [NH3+]CCCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415063752 839140767 /nfs/dbraw/zinc/14/07/67/839140767.db2.gz ATSYKXPXIMRFAS-UHFFFAOYSA-N 2 1 398.576 3.618 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415102586 839208318 /nfs/dbraw/zinc/20/83/18/839208318.db2.gz CMMGGFGCUXRCSR-YLJYHZDGSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000415102586 839208326 /nfs/dbraw/zinc/20/83/26/839208326.db2.gz CMMGGFGCUXRCSR-YLJYHZDGSA-N 2 1 384.520 3.700 20 0 GHADMP Brc1cc(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000394574603 839226395 /nfs/dbraw/zinc/22/63/95/839226395.db2.gz QDLNPGQOQVAWPH-LSDHHAIUSA-N 2 1 388.147 3.928 20 0 GHADMP Brc1cc(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000394574603 839226408 /nfs/dbraw/zinc/22/64/08/839226408.db2.gz QDLNPGQOQVAWPH-LSDHHAIUSA-N 2 1 388.147 3.928 20 0 GHADMP C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378563597 839339717 /nfs/dbraw/zinc/33/97/17/839339717.db2.gz SLRQXWLXHLQUHO-PKOBYXMFSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377385222 839421323 /nfs/dbraw/zinc/42/13/23/839421323.db2.gz COIOGUAARSEMFH-NZQKXSOJSA-N 2 1 391.559 3.791 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)NC(c3ccccc3)c3ccccc3)C2)C1 ZINC000549840780 844439687 /nfs/dbraw/zinc/43/96/87/844439687.db2.gz ONYYEXYGCWONSY-VWLOTQADSA-N 2 1 391.559 3.700 20 0 GHADMP Brc1ccccc1-c1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000580452010 839575135 /nfs/dbraw/zinc/57/51/35/839575135.db2.gz OSZWMTTUTSKTAN-OKILXGFUSA-N 2 1 376.298 3.536 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000377540796 839704594 /nfs/dbraw/zinc/70/45/94/839704594.db2.gz JYRKFWCDMFAJIR-MRXNPFEDSA-N 2 1 379.570 3.665 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000377540796 839704606 /nfs/dbraw/zinc/70/46/06/839704606.db2.gz JYRKFWCDMFAJIR-MRXNPFEDSA-N 2 1 379.570 3.665 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000377561032 839729328 /nfs/dbraw/zinc/72/93/28/839729328.db2.gz HOSXKRAMXUMBQX-SFHVURJKSA-N 2 1 375.900 3.679 20 0 GHADMP CCCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OC ZINC000580588780 839859879 /nfs/dbraw/zinc/85/98/79/839859879.db2.gz UTAGPNHQBWFGNX-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1OC ZINC000580588780 839859888 /nfs/dbraw/zinc/85/98/88/839859888.db2.gz UTAGPNHQBWFGNX-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OC ZINC000580588780 839859916 /nfs/dbraw/zinc/85/99/16/839859916.db2.gz UTAGPNHQBWFGNX-YOFSQIOKSA-N 2 1 376.541 3.558 20 0 GHADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843903 840073626 /nfs/dbraw/zinc/07/36/26/840073626.db2.gz IQHDKTNUCJXXNE-GOSISDBHSA-N 2 1 390.531 3.828 20 0 GHADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843903 840073634 /nfs/dbraw/zinc/07/36/34/840073634.db2.gz IQHDKTNUCJXXNE-GOSISDBHSA-N 2 1 390.531 3.828 20 0 GHADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(I)cc1 ZINC000610799533 844536678 /nfs/dbraw/zinc/53/66/78/844536678.db2.gz PFKSGBGISWLGHC-IKGGRYGDSA-N 2 1 384.305 3.959 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431926843 840553174 /nfs/dbraw/zinc/55/31/74/840553174.db2.gz ONLJQHPZIICMGI-JOCHJYFZSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548153850 840665016 /nfs/dbraw/zinc/66/50/16/840665016.db2.gz XCKHPCXOWADJSU-DENIHFKCSA-N 2 1 383.580 3.668 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000310373263 840863043 /nfs/dbraw/zinc/86/30/43/840863043.db2.gz OPFCBRHPDFQBPP-PXNSSMCTSA-N 2 1 389.337 3.594 20 0 GHADMP c1ccc([C@@H]2CCC[NH+](CCOCC[N@H+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628679 841023957 /nfs/dbraw/zinc/02/39/57/841023957.db2.gz VOPFHYDAWHXLJC-SZPZYZBQSA-N 2 1 394.563 3.552 20 0 GHADMP c1ccc([C@@H]2CCC[N@@H+](CCOCC[NH+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628679 841023964 /nfs/dbraw/zinc/02/39/64/841023964.db2.gz VOPFHYDAWHXLJC-SZPZYZBQSA-N 2 1 394.563 3.552 20 0 GHADMP c1ccc([C@@H]2CCC[N@H+](CCOCC[NH+]3CCC[C@H](c4ccccn4)C3)C2)nc1 ZINC000660628679 841023980 /nfs/dbraw/zinc/02/39/80/841023980.db2.gz VOPFHYDAWHXLJC-SZPZYZBQSA-N 2 1 394.563 3.552 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549475432 841049404 /nfs/dbraw/zinc/04/94/04/841049404.db2.gz FISDXOSPAAYCOL-FXAWDEMLSA-N 2 1 394.991 3.897 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417836956 841217289 /nfs/dbraw/zinc/21/72/89/841217289.db2.gz LYUZLWWXHCDPIZ-PTUXOGIPSA-N 2 1 394.563 3.819 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000581429906 841387538 /nfs/dbraw/zinc/38/75/38/841387538.db2.gz OLVVVTTZNGZFHB-GJZGRUSLSA-N 2 1 380.414 3.577 20 0 GHADMP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418012104 841390598 /nfs/dbraw/zinc/39/05/98/841390598.db2.gz RQUMUOHSCJQZSP-VJBMBRPKSA-N 2 1 394.563 3.676 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000549542427 841605680 /nfs/dbraw/zinc/60/56/80/841605680.db2.gz FXAPCDQYQIMMJY-PXNSSMCTSA-N 2 1 394.991 3.610 20 0 GHADMP CSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000500243739 841716516 /nfs/dbraw/zinc/71/65/16/841716516.db2.gz FYVOLPIZAQLLTB-UEXGIBASSA-N 2 1 397.588 3.838 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(N4CCCC4)nc3)CC23CC3)cc1 ZINC000647170956 841922127 /nfs/dbraw/zinc/92/21/27/841922127.db2.gz VSURNGVBIOKTCU-QFIPXVFZSA-N 2 1 376.548 3.969 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(N4CCCC4)nc3)CC23CC3)cc1 ZINC000647170956 841922139 /nfs/dbraw/zinc/92/21/39/841922139.db2.gz VSURNGVBIOKTCU-QFIPXVFZSA-N 2 1 376.548 3.969 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647171670 841951264 /nfs/dbraw/zinc/95/12/64/841951264.db2.gz RRAJMXDHYUXSOX-IBGZPJMESA-N 2 1 375.520 3.789 20 0 GHADMP CCn1nccc1C1CC[NH+](CCC[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000278915249 842005549 /nfs/dbraw/zinc/00/55/49/842005549.db2.gz QXBWXMQJCNUIHQ-UHFFFAOYSA-N 2 1 398.599 3.569 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001167827640 842091383 /nfs/dbraw/zinc/09/13/83/842091383.db2.gz UKHJDAWYSBQPCD-NZQKXSOJSA-N 2 1 386.584 3.549 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175366 842102113 /nfs/dbraw/zinc/10/21/13/842102113.db2.gz LNUXGJCDAPBVGN-PKTZIBPZSA-N 2 1 394.559 3.830 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647175366 842102122 /nfs/dbraw/zinc/10/21/22/842102122.db2.gz LNUXGJCDAPBVGN-PKTZIBPZSA-N 2 1 394.559 3.830 20 0 GHADMP Fc1ccc(COC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000643251529 842102185 /nfs/dbraw/zinc/10/21/85/842102185.db2.gz HLBVHUZOORRHMH-UHFFFAOYSA-N 2 1 398.522 3.839 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001167828135 842104875 /nfs/dbraw/zinc/10/48/75/842104875.db2.gz WQPCQFKEFQMNIK-HTAPYJJXSA-N 2 1 393.522 3.904 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3nc(CC45CCC[NH+]4CCC5)no3)cc2)C[C@H](C)O1 ZINC000581778335 842211305 /nfs/dbraw/zinc/21/13/05/842211305.db2.gz IWTJGWVNLSJPPI-HDICACEKSA-N 2 1 396.535 3.517 20 0 GHADMP C[C@@H]1CC[NH+](Cc2cc(C[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)ccc2F)C[C@H](C)O1 ZINC000661852664 842234068 /nfs/dbraw/zinc/23/40/68/842234068.db2.gz BXIBKWGJDXPIFO-YRXWBPOGSA-N 2 1 378.532 3.824 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@@H](C)O[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000661852664 842234074 /nfs/dbraw/zinc/23/40/74/842234074.db2.gz BXIBKWGJDXPIFO-YRXWBPOGSA-N 2 1 378.532 3.824 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@@H](C)O[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000661852664 842234081 /nfs/dbraw/zinc/23/40/81/842234081.db2.gz BXIBKWGJDXPIFO-YRXWBPOGSA-N 2 1 378.532 3.824 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000661898825 842297546 /nfs/dbraw/zinc/29/75/46/842297546.db2.gz SPRPSSJXIFRZRX-NSHGMRRFSA-N 2 1 392.613 3.551 20 0 GHADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000178035844 861297293 /nfs/dbraw/zinc/29/72/93/861297293.db2.gz BMLULSNDCXNUES-KSZLIROESA-N 2 1 388.531 3.860 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000178035833 861297335 /nfs/dbraw/zinc/29/73/35/861297335.db2.gz BMLULSNDCXNUES-FGTMMUONSA-N 2 1 388.531 3.860 20 0 GHADMP Cc1ccc(Nc2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000652348784 842328202 /nfs/dbraw/zinc/32/82/02/842328202.db2.gz RABOAOMZUTWUAI-SQGPQFPESA-N 2 1 386.565 3.913 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000164613658 842337643 /nfs/dbraw/zinc/33/76/43/842337643.db2.gz NBCJVUXJABQJHE-CQSZACIVSA-N 2 1 382.430 3.997 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167841389 842413395 /nfs/dbraw/zinc/41/33/95/842413395.db2.gz MBDYXVHYBYGFSQ-CVEARBPZSA-N 2 1 377.520 3.731 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(c2ccccc2)CCC1 ZINC000430679084 842457302 /nfs/dbraw/zinc/45/73/02/842457302.db2.gz LFTJYGOIAIAZAA-UHFFFAOYSA-N 2 1 397.607 3.763 20 0 GHADMP CCCC[NH+](CCCC)CC[NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001167849778 842622125 /nfs/dbraw/zinc/62/21/25/842622125.db2.gz CTZLGNSTLXAMAD-UHFFFAOYSA-N 2 1 389.584 3.792 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000471835687 842771476 /nfs/dbraw/zinc/77/14/76/842771476.db2.gz VXQKSGKGACZXDU-UGKGYDQZSA-N 2 1 390.531 3.550 20 0 GHADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000430717311 842891085 /nfs/dbraw/zinc/89/10/85/842891085.db2.gz YMJCCLDFDNOCOB-CZTZKLFOSA-N 2 1 387.568 3.652 20 0 GHADMP Cn1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000471862615 842977616 /nfs/dbraw/zinc/97/76/16/842977616.db2.gz CNGPNVFXZCAVOC-SJLPKXTDSA-N 2 1 380.458 3.611 20 0 GHADMP Cn1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1C(F)(F)F ZINC000471862615 842977619 /nfs/dbraw/zinc/97/76/19/842977619.db2.gz CNGPNVFXZCAVOC-SJLPKXTDSA-N 2 1 380.458 3.611 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]([NH3+])c1ccccc1 ZINC000430789900 842987973 /nfs/dbraw/zinc/98/79/73/842987973.db2.gz YPVBGUGGGMKPFX-FOUBCARRSA-N 2 1 381.520 3.570 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]([NH3+])c1ccccc1 ZINC000430789900 842987983 /nfs/dbraw/zinc/98/79/83/842987983.db2.gz YPVBGUGGGMKPFX-FOUBCARRSA-N 2 1 381.520 3.570 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662280149 843058230 /nfs/dbraw/zinc/05/82/30/843058230.db2.gz CXLBEYIXTRLDSN-XPWALMASSA-N 2 1 378.516 3.747 20 0 GHADMP Clc1cccc(OCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662328828 843157299 /nfs/dbraw/zinc/15/72/99/843157299.db2.gz VLHSSZIERNRFJL-UHFFFAOYSA-N 2 1 388.943 3.789 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)[NH+]2CCCC2)o1 ZINC000510671767 843166283 /nfs/dbraw/zinc/16/62/83/843166283.db2.gz UBRLFLPLOICRKC-LJQANCHMSA-N 2 1 395.503 3.963 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ncc(C(C)(C)C)o3)CC2)CC1 ZINC000430933994 843199723 /nfs/dbraw/zinc/19/97/23/843199723.db2.gz KOWNLRATWVFSCG-UHFFFAOYSA-N 2 1 376.589 3.600 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ncc(C(C)(C)C)o3)CC2)CC1 ZINC000430933994 843199727 /nfs/dbraw/zinc/19/97/27/843199727.db2.gz KOWNLRATWVFSCG-UHFFFAOYSA-N 2 1 376.589 3.600 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc21 ZINC000662419226 843210336 /nfs/dbraw/zinc/21/03/36/843210336.db2.gz GAELNVLHRQUADT-NZQKXSOJSA-N 2 1 391.559 3.707 20 0 GHADMP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc21 ZINC000662425471 843219220 /nfs/dbraw/zinc/21/92/20/843219220.db2.gz CLLHKYOANQBXGY-XLIONFOSSA-N 2 1 397.588 3.769 20 0 GHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1cc(F)cc(F)c1 ZINC000512251503 843225604 /nfs/dbraw/zinc/22/56/04/843225604.db2.gz HBLINKBFQCNSOQ-HSZRJFAPSA-N 2 1 399.485 3.891 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1cc(F)cc(F)c1 ZINC000512251503 843225614 /nfs/dbraw/zinc/22/56/14/843225614.db2.gz HBLINKBFQCNSOQ-HSZRJFAPSA-N 2 1 399.485 3.891 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cc(F)cc(F)c1 ZINC000512251503 843225620 /nfs/dbraw/zinc/22/56/20/843225620.db2.gz HBLINKBFQCNSOQ-HSZRJFAPSA-N 2 1 399.485 3.891 20 0 GHADMP C[NH2+][C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(Cl)c1Cl ZINC000662474402 843304266 /nfs/dbraw/zinc/30/42/66/843304266.db2.gz ZOAXHTUOQFDQOV-SFHVURJKSA-N 2 1 384.351 3.588 20 0 GHADMP C[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC[N@H+]1Cc1ccccc1 ZINC000662482228 843312901 /nfs/dbraw/zinc/31/29/01/843312901.db2.gz JTYLWWQJRJQIBG-AUSIDOKSSA-N 2 1 391.559 3.802 20 0 GHADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000662505764 843351175 /nfs/dbraw/zinc/35/11/75/843351175.db2.gz QLUIFPOXZHKSRJ-LEWJYISDSA-N 2 1 397.567 3.588 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCCc2ccccc21 ZINC000432655187 843357451 /nfs/dbraw/zinc/35/74/51/843357451.db2.gz MNUWWPWTFVLONJ-OAQYLSRUSA-N 2 1 395.572 3.672 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCCc2ccccc21 ZINC000432655187 843357456 /nfs/dbraw/zinc/35/74/56/843357456.db2.gz MNUWWPWTFVLONJ-OAQYLSRUSA-N 2 1 395.572 3.672 20 0 GHADMP CC(C)N(C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C1CCCC1 ZINC000432656986 843357711 /nfs/dbraw/zinc/35/77/11/843357711.db2.gz NFJOGBHTDVOHPB-FQEVSTJZSA-N 2 1 389.609 3.872 20 0 GHADMP CC(C)N(C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C1CCCC1 ZINC000432656986 843357720 /nfs/dbraw/zinc/35/77/20/843357720.db2.gz NFJOGBHTDVOHPB-FQEVSTJZSA-N 2 1 389.609 3.872 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccc(F)cc3F)cc2)CC1 ZINC000662675196 843513531 /nfs/dbraw/zinc/51/35/31/843513531.db2.gz KKSNLOKZNJZZFZ-OAQYLSRUSA-N 2 1 387.474 3.513 20 0 GHADMP CCC[N@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC[NH2+]CC1 ZINC000431087419 843580094 /nfs/dbraw/zinc/58/00/94/843580094.db2.gz QBUDZAGBEOABGX-UHFFFAOYSA-N 2 1 397.485 3.660 20 0 GHADMP CCC[N@@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC[NH2+]CC1 ZINC000431087419 843580097 /nfs/dbraw/zinc/58/00/97/843580097.db2.gz QBUDZAGBEOABGX-UHFFFAOYSA-N 2 1 397.485 3.660 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOC3CCCCCC3)CC2)CC1 ZINC000430943202 843663866 /nfs/dbraw/zinc/66/38/66/843663866.db2.gz GZAKBQKNGNICGX-UHFFFAOYSA-N 2 1 379.633 3.854 20 0 GHADMP C[N@H+](CCOC1CCCCCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430943202 843663872 /nfs/dbraw/zinc/66/38/72/843663872.db2.gz GZAKBQKNGNICGX-UHFFFAOYSA-N 3 1 379.633 3.854 20 0 GHADMP C[N@@H+](CCOC1CCCCCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430943202 843663880 /nfs/dbraw/zinc/66/38/80/843663880.db2.gz GZAKBQKNGNICGX-UHFFFAOYSA-N 3 1 379.633 3.854 20 0 GHADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468239 843673189 /nfs/dbraw/zinc/67/31/89/843673189.db2.gz KSDSSVGYRYYNHF-YLJYHZDGSA-N 2 1 391.987 3.789 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001167821049 843691461 /nfs/dbraw/zinc/69/14/61/843691461.db2.gz AEBOXBSPWGITOW-XMSQKQJNSA-N 2 1 375.532 3.765 20 0 GHADMP c1ncc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1C[NH+]1CCSC[C@@H]1C1CC1 ZINC000581984829 843707608 /nfs/dbraw/zinc/70/76/08/843707608.db2.gz PMMLKEYPBJDEQY-NHCUHLMSSA-N 2 1 389.634 3.736 20 0 GHADMP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182395291 843734809 /nfs/dbraw/zinc/73/48/09/843734809.db2.gz GGAOSMHUULZGLI-KNQAVFIVSA-N 2 1 398.595 3.735 20 0 GHADMP COC(=O)c1cc([C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199827 843823756 /nfs/dbraw/zinc/82/37/56/843823756.db2.gz MXRAGOYNCLXOJI-DBVUQKKJSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199827 843823764 /nfs/dbraw/zinc/82/37/64/843823764.db2.gz MXRAGOYNCLXOJI-DBVUQKKJSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199827 843823771 /nfs/dbraw/zinc/82/37/71/843823771.db2.gz MXRAGOYNCLXOJI-DBVUQKKJSA-N 2 1 382.504 3.890 20 0 GHADMP COC(=O)c1cc([C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)oc1C ZINC000433199827 843823776 /nfs/dbraw/zinc/82/37/76/843823776.db2.gz MXRAGOYNCLXOJI-DBVUQKKJSA-N 2 1 382.504 3.890 20 0 GHADMP Clc1ccc(OCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512457966 843859786 /nfs/dbraw/zinc/85/97/86/843859786.db2.gz XFRPTEHJDYXTCH-JOCHJYFZSA-N 2 1 399.966 3.611 20 0 GHADMP Clc1ccc(OCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512457966 843859795 /nfs/dbraw/zinc/85/97/95/843859795.db2.gz XFRPTEHJDYXTCH-JOCHJYFZSA-N 2 1 399.966 3.611 20 0 GHADMP COc1cc(C[NH+](C(C)C)[C@H]2CCOC2)cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000433209352 843871187 /nfs/dbraw/zinc/87/11/87/843871187.db2.gz RENVYFQBOCHMLN-VXKWHMMOSA-N 2 1 390.568 3.694 20 0 GHADMP Cc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)sc1Br ZINC000512463098 843884056 /nfs/dbraw/zinc/88/40/56/843884056.db2.gz OIXAINDHFJFKKL-UHFFFAOYSA-N 2 1 387.387 3.753 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)[C@H]1c1ccccc1 ZINC000536233660 843915510 /nfs/dbraw/zinc/91/55/10/843915510.db2.gz QLIDVWAGQDCTEA-AKIFATBCSA-N 2 1 398.595 3.729 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[N@@H+]4CCCC[C@H]4C)cc3)cc12 ZINC000237354324 843932797 /nfs/dbraw/zinc/93/27/97/843932797.db2.gz NQZHDWPERPXFNJ-QGZVFWFLSA-N 2 1 377.536 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H](C)C1 ZINC000152049615 843954568 /nfs/dbraw/zinc/95/45/68/843954568.db2.gz KIYYZUYOEXODIK-KNQAVFIVSA-N 2 1 392.559 3.601 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3ccc(F)cc3)CC2)cc1 ZINC000728926764 843993092 /nfs/dbraw/zinc/99/30/92/843993092.db2.gz SOURXOMWTUFQCS-UHFFFAOYSA-N 2 1 397.538 3.693 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000512646859 844875229 /nfs/dbraw/zinc/87/52/29/844875229.db2.gz DQMNMHZBIPTTAV-OOYIDZMOSA-N 2 1 383.580 3.524 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000512659711 844937852 /nfs/dbraw/zinc/93/78/52/844937852.db2.gz JJULIEKXULGYGE-YTFSRNRJSA-N 2 1 376.548 3.787 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2csc(N3CCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513226736 845090806 /nfs/dbraw/zinc/09/08/06/845090806.db2.gz MFJMBQWRGFKHFY-AZUAARDMSA-N 2 1 384.593 3.929 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2csc(N3CCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000513226736 845090807 /nfs/dbraw/zinc/09/08/07/845090807.db2.gz MFJMBQWRGFKHFY-AZUAARDMSA-N 2 1 384.593 3.929 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433053673 845096287 /nfs/dbraw/zinc/09/62/87/845096287.db2.gz PZZOAJUHZWWXGJ-NRFANRHFSA-N 2 1 391.559 3.679 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433065071 845149100 /nfs/dbraw/zinc/14/91/00/845149100.db2.gz ZREMBGLHOOHFIY-JOCHJYFZSA-N 2 1 378.516 3.889 20 0 GHADMP COC(=O)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433065071 845149108 /nfs/dbraw/zinc/14/91/08/845149108.db2.gz ZREMBGLHOOHFIY-JOCHJYFZSA-N 2 1 378.516 3.889 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000563135520 845230991 /nfs/dbraw/zinc/23/09/91/845230991.db2.gz OHAVLLMGMFXSFP-MRXNPFEDSA-N 2 1 389.341 3.661 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510994299 845296457 /nfs/dbraw/zinc/29/64/57/845296457.db2.gz BKOVBWGKCCELSH-NRFANRHFSA-N 2 1 385.596 3.914 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000510994299 845296500 /nfs/dbraw/zinc/29/65/00/845296500.db2.gz BKOVBWGKCCELSH-NRFANRHFSA-N 2 1 385.596 3.914 20 0 GHADMP CCc1oc(C(=O)OC)cc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392746 861561612 /nfs/dbraw/zinc/56/16/12/861561612.db2.gz QAYVMQPRVHTHHY-UHFFFAOYSA-N 2 1 385.508 3.762 20 0 GHADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433170039 845564644 /nfs/dbraw/zinc/56/46/44/845564644.db2.gz ZOUAJVFTDGVLFN-HSZRJFAPSA-N 2 1 391.559 3.804 20 0 GHADMP C[C@@H](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000472067777 845685437 /nfs/dbraw/zinc/68/54/37/845685437.db2.gz KUOYZLARCOZWTQ-FQEVSTJZSA-N 2 1 379.548 3.923 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000472086065 845767717 /nfs/dbraw/zinc/76/77/17/845767717.db2.gz UZAWXKSPMKYPIC-IRLDBZIGSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(F)cc1OC(F)F ZINC000179511834 861609762 /nfs/dbraw/zinc/60/97/62/861609762.db2.gz XPTJRTLWKYYOFZ-ZDUSSCGKSA-N 2 1 383.414 3.613 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1(C)C ZINC000421353523 846163100 /nfs/dbraw/zinc/16/31/00/846163100.db2.gz FYHKFEWIYKARMP-UHFFFAOYSA-N 2 1 395.595 3.781 20 0 GHADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000513623956 846163463 /nfs/dbraw/zinc/16/34/63/846163463.db2.gz HOKOQDOHAHERKZ-OAQYLSRUSA-N 2 1 381.568 3.535 20 0 GHADMP C[NH+](C[C@H]1CCCN1c1cccnn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000513623956 846163468 /nfs/dbraw/zinc/16/34/68/846163468.db2.gz HOKOQDOHAHERKZ-OAQYLSRUSA-N 2 1 381.568 3.535 20 0 GHADMP C[NH+](C[C@H]1CCCN1c1cccnn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000513623956 846163473 /nfs/dbraw/zinc/16/34/73/846163473.db2.gz HOKOQDOHAHERKZ-OAQYLSRUSA-N 2 1 381.568 3.535 20 0 GHADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513656378 846198348 /nfs/dbraw/zinc/19/83/48/846198348.db2.gz RZTRNQGRXYOOAJ-OEMFJLHTSA-N 2 1 380.580 3.860 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(Br)c1O ZINC000513643468 846204217 /nfs/dbraw/zinc/20/42/17/846204217.db2.gz OYZLGITYSGNMQO-UHFFFAOYSA-N 2 1 385.346 3.906 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccnc2-n2cccn2)CC1 ZINC000513668275 846214980 /nfs/dbraw/zinc/21/49/80/846214980.db2.gz WMYZYBZXKLZDIO-UHFFFAOYSA-N 2 1 375.520 3.800 20 0 GHADMP Cc1nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CCN(C)CC3)cc2o1 ZINC000279997767 846261764 /nfs/dbraw/zinc/26/17/64/846261764.db2.gz KWFQRFJNCPNWEV-LEWJYISDSA-N 2 1 398.551 3.545 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000277479152 846346125 /nfs/dbraw/zinc/34/61/25/846346125.db2.gz MMXOFBMPCUZWRU-QHCPKHFHSA-N 2 1 389.547 3.910 20 0 GHADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000277479152 846346135 /nfs/dbraw/zinc/34/61/35/846346135.db2.gz MMXOFBMPCUZWRU-QHCPKHFHSA-N 2 1 389.547 3.910 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)NCCCC[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC000502686895 846353995 /nfs/dbraw/zinc/35/39/95/846353995.db2.gz OBARTCHRGMZSDW-HWELCPFYSA-N 2 1 392.632 3.841 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000582131447 846432113 /nfs/dbraw/zinc/43/21/13/846432113.db2.gz IEBSWSDEAOEOIT-RPWUZVMVSA-N 2 1 397.607 3.977 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000502849157 846543161 /nfs/dbraw/zinc/54/31/61/846543161.db2.gz WOZFWJDVSRYWRZ-YSFYHYPLSA-N 2 1 394.648 3.802 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(Cn3cncn3)cc2)CC1 ZINC000513758641 846550499 /nfs/dbraw/zinc/55/04/99/846550499.db2.gz ANWQVPSFEILKGD-UHFFFAOYSA-N 2 1 389.547 3.859 20 0 GHADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019121 846555039 /nfs/dbraw/zinc/55/50/39/846555039.db2.gz HLXYFWCDDMZNFR-QHCPKHFHSA-N 2 1 394.563 3.840 20 0 GHADMP CCN(C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000501044551 846569587 /nfs/dbraw/zinc/56/95/87/846569587.db2.gz JNJNFGQNSLWPOE-LJQANCHMSA-N 2 1 386.584 3.800 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000502896271 846589193 /nfs/dbraw/zinc/58/91/93/846589193.db2.gz UJJCUGDIWGLUEY-IFMALSPDSA-N 2 1 386.584 3.777 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)CC1 ZINC000582189997 846607119 /nfs/dbraw/zinc/60/71/19/846607119.db2.gz HEWGRZYHIFWOJO-IBGZPJMESA-N 2 1 397.607 3.939 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H](C)O1 ZINC000657368088 846623634 /nfs/dbraw/zinc/62/36/34/846623634.db2.gz UQUBBKYVGZUTEZ-HDICACEKSA-N 2 1 387.499 3.992 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000502939572 846655709 /nfs/dbraw/zinc/65/57/09/846655709.db2.gz JMBXFCQFZKQSIJ-BGYRXZFFSA-N 2 1 398.595 3.544 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000503074593 846777719 /nfs/dbraw/zinc/77/77/19/846777719.db2.gz LIAJBJPFSVHWJX-MSOLQXFVSA-N 2 1 382.552 3.658 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000503074593 846777722 /nfs/dbraw/zinc/77/77/22/846777722.db2.gz LIAJBJPFSVHWJX-MSOLQXFVSA-N 2 1 382.552 3.658 20 0 GHADMP NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000513714122 846903944 /nfs/dbraw/zinc/90/39/44/846903944.db2.gz YQURIZVWTYIGRE-DNVJHFABSA-N 2 1 377.532 3.566 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000501547641 846994771 /nfs/dbraw/zinc/99/47/71/846994771.db2.gz BUVNVEHWNUTMEH-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272308787 847044038 /nfs/dbraw/zinc/04/40/38/847044038.db2.gz ILRVMVIPLJGMOK-OFNKIYASSA-N 2 1 378.564 3.546 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000420303493 847105638 /nfs/dbraw/zinc/10/56/38/847105638.db2.gz KLOJYKRTQBJYSY-LJQANCHMSA-N 2 1 386.923 3.986 20 0 GHADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1SC ZINC000272740610 847160425 /nfs/dbraw/zinc/16/04/25/847160425.db2.gz KWKPTCDQNADHJB-OXJNMPFZSA-N 2 1 386.561 3.835 20 0 GHADMP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000501851066 847256755 /nfs/dbraw/zinc/25/67/55/847256755.db2.gz MRDXEZXWZBZNGL-GOTSBHOMSA-N 2 1 392.547 3.522 20 0 GHADMP C[N@H+]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000501851066 847256767 /nfs/dbraw/zinc/25/67/67/847256767.db2.gz MRDXEZXWZBZNGL-GOTSBHOMSA-N 2 1 392.547 3.522 20 0 GHADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501858310 847283688 /nfs/dbraw/zinc/28/36/88/847283688.db2.gz IUJAGVFPYNBYTP-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903530 847522237 /nfs/dbraw/zinc/52/22/37/847522237.db2.gz ATZMHGQGFGOCHF-ZJSXRUAMSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903530 847522247 /nfs/dbraw/zinc/52/22/47/847522247.db2.gz ATZMHGQGFGOCHF-ZJSXRUAMSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903530 847522256 /nfs/dbraw/zinc/52/22/56/847522256.db2.gz ATZMHGQGFGOCHF-ZJSXRUAMSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903530 847522260 /nfs/dbraw/zinc/52/22/60/847522260.db2.gz ATZMHGQGFGOCHF-ZJSXRUAMSA-N 2 1 385.596 3.605 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000420891819 847536240 /nfs/dbraw/zinc/53/62/40/847536240.db2.gz NLTVXNHHZWMISI-SCZRWQTQSA-N 2 1 398.595 3.555 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420955411 847575480 /nfs/dbraw/zinc/57/54/80/847575480.db2.gz WLCJBFHPMSZTMX-IBGZPJMESA-N 2 1 397.485 3.563 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420955411 847575488 /nfs/dbraw/zinc/57/54/88/847575488.db2.gz WLCJBFHPMSZTMX-IBGZPJMESA-N 2 1 397.485 3.563 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000420959056 847579395 /nfs/dbraw/zinc/57/93/95/847579395.db2.gz FEBQKQUGMYSKSR-SFHVURJKSA-N 2 1 394.494 3.694 20 0 GHADMP CN1c2ccccc2[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000582575984 847674541 /nfs/dbraw/zinc/67/45/41/847674541.db2.gz PEIIMSWZBXUBPA-RBBKRZOGSA-N 2 1 377.532 3.986 20 0 GHADMP CN1c2ccccc2[C@H]([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000582575984 847674551 /nfs/dbraw/zinc/67/45/51/847674551.db2.gz PEIIMSWZBXUBPA-RBBKRZOGSA-N 2 1 377.532 3.986 20 0 GHADMP CN1c2ccccc2[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000582575984 847674557 /nfs/dbraw/zinc/67/45/57/847674557.db2.gz PEIIMSWZBXUBPA-RBBKRZOGSA-N 2 1 377.532 3.986 20 0 GHADMP Fc1ccc(Br)cc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422811189 847834385 /nfs/dbraw/zinc/83/43/85/847834385.db2.gz ORNPLMWYKFNHDT-HKUYNNGSSA-N 2 1 391.284 3.934 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842492 847862516 /nfs/dbraw/zinc/86/25/16/847862516.db2.gz YJNSHHNFDROIJW-SXPAWZJZSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842492 847862527 /nfs/dbraw/zinc/86/25/27/847862527.db2.gz YJNSHHNFDROIJW-SXPAWZJZSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842492 847862534 /nfs/dbraw/zinc/86/25/34/847862534.db2.gz YJNSHHNFDROIJW-SXPAWZJZSA-N 3 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842492 847862545 /nfs/dbraw/zinc/86/25/45/847862545.db2.gz YJNSHHNFDROIJW-SXPAWZJZSA-N 3 1 391.559 3.743 20 0 GHADMP Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)cc1 ZINC000422881480 847867520 /nfs/dbraw/zinc/86/75/20/847867520.db2.gz NVEAKWZCEUXNIZ-FGZHOGPDSA-N 2 1 381.520 3.762 20 0 GHADMP COc1cc(C)c(C[C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000502450863 847896729 /nfs/dbraw/zinc/89/67/29/847896729.db2.gz IRZHFRDLNYIEAQ-INIZCTEOSA-N 2 1 398.551 3.609 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000611685723 847948855 /nfs/dbraw/zinc/94/88/55/847948855.db2.gz FRQLAXHBQVPQQU-XLIONFOSSA-N 2 1 392.975 3.508 20 0 GHADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1I ZINC000423096055 847977151 /nfs/dbraw/zinc/97/71/51/847977151.db2.gz NWDGYXVADRVHHL-SJORKVTESA-N 2 1 378.257 3.834 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000277852256 848223000 /nfs/dbraw/zinc/22/30/00/848223000.db2.gz AGDOWDRPGZTFMT-LJQANCHMSA-N 2 1 388.556 3.597 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000277852256 848223004 /nfs/dbraw/zinc/22/30/04/848223004.db2.gz AGDOWDRPGZTFMT-LJQANCHMSA-N 2 1 388.556 3.597 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(-c4cccs4)s3)cc2)C1 ZINC000657593597 848282878 /nfs/dbraw/zinc/28/28/78/848282878.db2.gz ASYAXTJJJRPKJC-QGZVFWFLSA-N 2 1 385.558 3.728 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596027 848291165 /nfs/dbraw/zinc/29/11/65/848291165.db2.gz LBTSUIRGBNSJSF-JOCHJYFZSA-N 2 1 393.556 3.975 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000582761644 848313797 /nfs/dbraw/zinc/31/37/97/848313797.db2.gz YEPHHVZQZVXBGZ-IIBYNOLFSA-N 2 1 399.502 3.885 20 0 GHADMP Cn1ccc(-c2nc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cs2)n1 ZINC000921505324 861910602 /nfs/dbraw/zinc/91/06/02/861910602.db2.gz LBEPKLLBNLBVHI-UHFFFAOYSA-N 2 1 381.549 3.819 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)F)c(Br)c1)CC1CC[NH+](C)CC1 ZINC000180054779 861926281 /nfs/dbraw/zinc/92/62/81/861926281.db2.gz ZNHVPBSZYRCGHL-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1F ZINC000153729809 848967903 /nfs/dbraw/zinc/96/79/03/848967903.db2.gz GOGMNJBVXDHCPS-HTAPYJJXSA-N 2 1 393.510 3.715 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000600441778 861970003 /nfs/dbraw/zinc/97/00/03/861970003.db2.gz NKHRVXXBILEQFL-UXHICEINSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000600441778 861970011 /nfs/dbraw/zinc/97/00/11/861970011.db2.gz NKHRVXXBILEQFL-UXHICEINSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000600441778 861970023 /nfs/dbraw/zinc/97/00/23/861970023.db2.gz NKHRVXXBILEQFL-UXHICEINSA-N 2 1 387.568 3.544 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)c1OC ZINC000583087639 849036176 /nfs/dbraw/zinc/03/61/76/849036176.db2.gz ZBCXJQDRMLOOJJ-CVEARBPZSA-N 2 1 387.549 3.649 20 0 GHADMP COC(=O)c1ccc(OC)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC001167658256 849297443 /nfs/dbraw/zinc/29/74/43/849297443.db2.gz DGNNUVWOFYOHEM-GOSISDBHSA-N 2 1 388.552 3.958 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000472285698 849574388 /nfs/dbraw/zinc/57/43/88/849574388.db2.gz GEJOSMRXPDWROW-LJQANCHMSA-N 2 1 377.916 3.928 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000472285698 849574393 /nfs/dbraw/zinc/57/43/93/849574393.db2.gz GEJOSMRXPDWROW-LJQANCHMSA-N 2 1 377.916 3.928 20 0 GHADMP Clc1cc(Cl)c2c(c1)C=C(CNC1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000657750235 849599396 /nfs/dbraw/zinc/59/93/96/849599396.db2.gz FCBHFJVKXQMZFW-QGZVFWFLSA-N 2 1 383.319 3.612 20 0 GHADMP CC(C)(CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000583373073 849737171 /nfs/dbraw/zinc/73/71/71/849737171.db2.gz XKVAFGNSQSIEMO-DEOSSOPVSA-N 2 1 398.595 3.559 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC2(C)CC[NH+](C)CC2)cs1)c1ccc(C)cc1 ZINC000503927226 849766694 /nfs/dbraw/zinc/76/66/94/849766694.db2.gz HVAMXPWTMCMLPV-UHFFFAOYSA-N 2 1 386.565 3.958 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140673 849772159 /nfs/dbraw/zinc/77/21/59/849772159.db2.gz ZCDJGPOFCOOUFA-JRFVFWCSSA-N 2 1 399.623 3.816 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140673 849772171 /nfs/dbraw/zinc/77/21/71/849772171.db2.gz ZCDJGPOFCOOUFA-JRFVFWCSSA-N 3 1 399.623 3.816 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140673 849772179 /nfs/dbraw/zinc/77/21/79/849772179.db2.gz ZCDJGPOFCOOUFA-JRFVFWCSSA-N 3 1 399.623 3.816 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccc(C)c(C)c3)C3CC3)CC2)CC1 ZINC000583390631 849775095 /nfs/dbraw/zinc/77/50/95/849775095.db2.gz XGWRBAAQPHJCKU-UHFFFAOYSA-N 2 1 397.607 3.991 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423324829 849866947 /nfs/dbraw/zinc/86/69/47/849866947.db2.gz IIQQNVMXGFKNOI-YAKVFXAGSA-N 2 1 398.547 3.940 20 0 GHADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423324827 849867081 /nfs/dbraw/zinc/86/70/81/849867081.db2.gz IIQQNVMXGFKNOI-FHQLIMNDSA-N 2 1 398.547 3.940 20 0 GHADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423505258 849947328 /nfs/dbraw/zinc/94/73/28/849947328.db2.gz GXPFPMHGLVAYNZ-HDYDNRTBSA-N 2 1 380.536 3.741 20 0 GHADMP CN(c1ccccc1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000434993393 849979872 /nfs/dbraw/zinc/97/98/72/849979872.db2.gz YODOECMIIAQJBL-RUZDIDTESA-N 2 1 392.591 3.706 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000434993393 849979877 /nfs/dbraw/zinc/97/98/77/849979877.db2.gz YODOECMIIAQJBL-RUZDIDTESA-N 2 1 392.591 3.706 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCN(C)C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000434993393 849979887 /nfs/dbraw/zinc/97/98/87/849979887.db2.gz YODOECMIIAQJBL-RUZDIDTESA-N 2 1 392.591 3.706 20 0 GHADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000504425915 850059565 /nfs/dbraw/zinc/05/95/65/850059565.db2.gz DKBWOQBKKQWANJ-BAGYTPMASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000424189073 850281039 /nfs/dbraw/zinc/28/10/39/850281039.db2.gz MTHPSURDLMWBIX-XUZZJYLKSA-N 2 1 393.575 3.768 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000424189073 850281045 /nfs/dbraw/zinc/28/10/45/850281045.db2.gz MTHPSURDLMWBIX-XUZZJYLKSA-N 2 1 393.575 3.768 20 0 GHADMP Cc1ncncc1[C@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000518999587 850463174 /nfs/dbraw/zinc/46/31/74/850463174.db2.gz GZWXSLKFVGLHFF-OTWHNJEPSA-N 2 1 382.552 3.645 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425376114 850499931 /nfs/dbraw/zinc/49/99/31/850499931.db2.gz WLFSQUWOZWCIBS-HSZRJFAPSA-N 2 1 383.580 3.610 20 0 GHADMP CCn1ccnc1C[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426892 850507293 /nfs/dbraw/zinc/50/72/93/850507293.db2.gz JUJDFNFROKHNFJ-WIYYLYMNSA-N 2 1 382.552 3.659 20 0 GHADMP COc1ccc(C[C@H](C)C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1F ZINC000435426866 850509037 /nfs/dbraw/zinc/50/90/37/850509037.db2.gz JSTRNQLEXANZJF-YJBOKZPZSA-N 2 1 391.556 3.890 20 0 GHADMP Cn1ccnc1C[N@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430896 850514813 /nfs/dbraw/zinc/51/48/13/850514813.db2.gz AZXDONUSLACABM-JOCHJYFZSA-N 2 1 387.531 3.626 20 0 GHADMP Cn1ccnc1C[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430896 850514823 /nfs/dbraw/zinc/51/48/23/850514823.db2.gz AZXDONUSLACABM-JOCHJYFZSA-N 2 1 387.531 3.626 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487217542 850570469 /nfs/dbraw/zinc/57/04/69/850570469.db2.gz GUPZMWRNQAPUSR-PZJWPPBQSA-N 2 1 395.950 3.851 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000487217542 850570473 /nfs/dbraw/zinc/57/04/73/850570473.db2.gz GUPZMWRNQAPUSR-PZJWPPBQSA-N 2 1 395.950 3.851 20 0 GHADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1OCC[NH+]1CCCC1 ZINC000439959492 850630455 /nfs/dbraw/zinc/63/04/55/850630455.db2.gz QWWGTHVIIYCWAR-OAQYLSRUSA-N 2 1 385.552 3.815 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435618037 850703240 /nfs/dbraw/zinc/70/32/40/850703240.db2.gz PHTWYKSKYCZMJW-IBGZPJMESA-N 2 1 384.499 3.502 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435618037 850703244 /nfs/dbraw/zinc/70/32/44/850703244.db2.gz PHTWYKSKYCZMJW-IBGZPJMESA-N 2 1 384.499 3.502 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167965893 850714275 /nfs/dbraw/zinc/71/42/75/850714275.db2.gz PMPUUYLSGVTKIM-DZJYIKFMSA-N 2 1 395.563 3.577 20 0 GHADMP C[C@@H](NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000435682378 850748099 /nfs/dbraw/zinc/74/80/99/850748099.db2.gz NATOTGBJNPNWSH-CRAIPNDOSA-N 2 1 389.590 3.631 20 0 GHADMP C[C@@H](NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1cccs1 ZINC000435682378 850748104 /nfs/dbraw/zinc/74/81/04/850748104.db2.gz NATOTGBJNPNWSH-CRAIPNDOSA-N 2 1 389.590 3.631 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000555904935 862164829 /nfs/dbraw/zinc/16/48/29/862164829.db2.gz OCBJCKHJLQHIQC-OAQYLSRUSA-N 2 1 393.575 3.974 20 0 GHADMP Clc1cccc(OCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435696047 850776049 /nfs/dbraw/zinc/77/60/49/850776049.db2.gz SZMYFOZSENAATL-QGZVFWFLSA-N 2 1 377.941 3.820 20 0 GHADMP Clc1cccc(OCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435696047 850776057 /nfs/dbraw/zinc/77/60/57/850776057.db2.gz SZMYFOZSENAATL-QGZVFWFLSA-N 2 1 377.941 3.820 20 0 GHADMP COc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(-c2ccccc2)cc1OC ZINC000668786246 850787042 /nfs/dbraw/zinc/78/70/42/850787042.db2.gz XLQYFEVITSISDP-OAQYLSRUSA-N 2 1 398.547 3.913 20 0 GHADMP COc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(-c2ccccc2)cc1OC ZINC000668786246 850787046 /nfs/dbraw/zinc/78/70/46/850787046.db2.gz XLQYFEVITSISDP-OAQYLSRUSA-N 2 1 398.547 3.913 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CNC[C@@H]3CCC[NH+]3C3CCCCC3)sc2C1 ZINC000435748514 850813516 /nfs/dbraw/zinc/81/35/16/850813516.db2.gz ORKNIOKLOVIQFV-SFHVURJKSA-N 2 1 376.614 3.796 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@@H]3CCC[N@@H+]3C3CCCCC3)sc2C1 ZINC000435748514 850813522 /nfs/dbraw/zinc/81/35/22/850813522.db2.gz ORKNIOKLOVIQFV-SFHVURJKSA-N 2 1 376.614 3.796 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@@H]3CCC[N@H+]3C3CCCCC3)sc2C1 ZINC000435748514 850813531 /nfs/dbraw/zinc/81/35/31/850813531.db2.gz ORKNIOKLOVIQFV-SFHVURJKSA-N 2 1 376.614 3.796 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000435736784 850823863 /nfs/dbraw/zinc/82/38/63/850823863.db2.gz ZBKCZXBXQLETEO-YADHBBJMSA-N 2 1 385.596 3.915 20 0 GHADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000425076435 851054149 /nfs/dbraw/zinc/05/41/49/851054149.db2.gz FYDZCTCEKIWPKI-HNNXBMFYSA-N 2 1 390.597 3.893 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)sc2C1 ZINC000425076435 851054158 /nfs/dbraw/zinc/05/41/58/851054158.db2.gz FYDZCTCEKIWPKI-HNNXBMFYSA-N 2 1 390.597 3.893 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)sc2C1 ZINC000425076435 851054175 /nfs/dbraw/zinc/05/41/75/851054175.db2.gz FYDZCTCEKIWPKI-HNNXBMFYSA-N 2 1 390.597 3.893 20 0 GHADMP CC[C@H](C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000519432638 851061504 /nfs/dbraw/zinc/06/15/04/851061504.db2.gz USCHIBZLUVNQLG-NHCUHLMSSA-N 2 1 383.536 3.752 20 0 GHADMP CCC1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514017141 851124768 /nfs/dbraw/zinc/12/47/68/851124768.db2.gz DVWLDYOIYORTGQ-VXKWHMMOSA-N 2 1 398.595 3.605 20 0 GHADMP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000488143800 851202185 /nfs/dbraw/zinc/20/21/85/851202185.db2.gz UPSQFCHOZBSWFZ-HXUWFJFHSA-N 2 1 398.595 3.688 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)C1 ZINC000514154905 851328849 /nfs/dbraw/zinc/32/88/49/851328849.db2.gz ZZWHSTYKGDOYFF-YLJYHZDGSA-N 2 1 394.991 3.754 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000514236853 851443220 /nfs/dbraw/zinc/44/32/20/851443220.db2.gz ZGYVTYQSOHYMLB-URVUXULASA-N 2 1 386.584 3.694 20 0 GHADMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Br)cc1F ZINC001167969853 851484269 /nfs/dbraw/zinc/48/42/69/851484269.db2.gz GPQSDGMNHMAGNF-GOOCMWNKSA-N 2 1 380.305 3.909 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167960697 851511194 /nfs/dbraw/zinc/51/11/94/851511194.db2.gz AENXEHBOQKHYEW-UMQXSMKFSA-N 2 1 375.354 3.911 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@H](c3ccccc3OC)C2)cc1 ZINC000505485144 851531335 /nfs/dbraw/zinc/53/13/35/851531335.db2.gz YDUIIAZHMGXAGO-QFIPXVFZSA-N 2 1 395.547 3.714 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000505803525 851533183 /nfs/dbraw/zinc/53/31/83/851533183.db2.gz WGXBPVPWDHLWIB-IBGZPJMESA-N 2 1 392.547 3.809 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC[NH+](C)C2CCCCC2)CC1 ZINC000515839226 851546558 /nfs/dbraw/zinc/54/65/58/851546558.db2.gz MMVOVKMZRLUOMZ-UHFFFAOYSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000515839226 851546577 /nfs/dbraw/zinc/54/65/77/851546577.db2.gz MMVOVKMZRLUOMZ-UHFFFAOYSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000515839226 851546582 /nfs/dbraw/zinc/54/65/82/851546582.db2.gz MMVOVKMZRLUOMZ-UHFFFAOYSA-N 2 1 380.621 3.795 20 0 GHADMP C[C@@H](c1nccc(N)n1)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838590 851881977 /nfs/dbraw/zinc/88/19/77/851881977.db2.gz VBCPNSHNSZOWSN-LAUBAEHRSA-N 2 1 379.552 3.742 20 0 GHADMP C[C@@H](c1nccc(N)n1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838590 851881982 /nfs/dbraw/zinc/88/19/82/851881982.db2.gz VBCPNSHNSZOWSN-LAUBAEHRSA-N 2 1 379.552 3.742 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)c2)cc1 ZINC000180732293 862303501 /nfs/dbraw/zinc/30/35/01/862303501.db2.gz OVQBVVAGNTWJKK-REWPJTCUSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000180732293 862303514 /nfs/dbraw/zinc/30/35/14/862303514.db2.gz OVQBVVAGNTWJKK-REWPJTCUSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2)cc1 ZINC000180732293 862303525 /nfs/dbraw/zinc/30/35/25/862303525.db2.gz OVQBVVAGNTWJKK-REWPJTCUSA-N 2 1 393.531 3.864 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)c1 ZINC000438146070 852080431 /nfs/dbraw/zinc/08/04/31/852080431.db2.gz WAHGIJIMECKOMF-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000438146070 852080437 /nfs/dbraw/zinc/08/04/37/852080437.db2.gz WAHGIJIMECKOMF-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000438146070 852080441 /nfs/dbraw/zinc/08/04/41/852080441.db2.gz WAHGIJIMECKOMF-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000517558469 852095688 /nfs/dbraw/zinc/09/56/88/852095688.db2.gz COJGOMLTZXGXHS-UKRRQHHQSA-N 2 1 384.364 3.990 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)C1 ZINC000467347622 852131848 /nfs/dbraw/zinc/13/18/48/852131848.db2.gz PEQPWMMGCZVZDR-UYAOXDASSA-N 2 1 377.960 3.748 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000506863185 852279098 /nfs/dbraw/zinc/27/90/98/852279098.db2.gz VKHCCHCAJGLIAQ-UHFFFAOYSA-N 2 1 377.330 3.613 20 0 GHADMP CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)[N@@H+](C)Cc1ccccc1 ZINC000516259741 852355673 /nfs/dbraw/zinc/35/56/73/852355673.db2.gz HZGRNDQBEAKYAM-HSZRJFAPSA-N 2 1 394.563 3.596 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000506933416 852360821 /nfs/dbraw/zinc/36/08/21/852360821.db2.gz OLYIYZSWBJWYGR-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426046171 852522500 /nfs/dbraw/zinc/52/25/00/852522500.db2.gz XKYHPWLRVFLFHD-FGZHOGPDSA-N 2 1 387.955 3.845 20 0 GHADMP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000516467762 852618580 /nfs/dbraw/zinc/61/85/80/852618580.db2.gz IRRIVXVMBGZXMU-ZRCGQRJVSA-N 2 1 393.531 3.697 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]3C[NH+]3CCCC3)c2c1C ZINC000489901791 852634891 /nfs/dbraw/zinc/63/48/91/852634891.db2.gz XTEVAJGSCOUCMR-GOSISDBHSA-N 2 1 399.608 3.969 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000490248707 852866264 /nfs/dbraw/zinc/86/62/64/852866264.db2.gz OTJHMBPLVDNPEJ-LPHOPBHVSA-N 2 1 391.357 3.678 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)CC[N@H+]1Cc1ccccc1 ZINC000490248707 852866271 /nfs/dbraw/zinc/86/62/71/852866271.db2.gz OTJHMBPLVDNPEJ-LPHOPBHVSA-N 2 1 391.357 3.678 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000507388076 852872285 /nfs/dbraw/zinc/87/22/85/852872285.db2.gz DLDYZGXLCNMLBA-PXNSSMCTSA-N 2 1 392.975 3.508 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)C1 ZINC000507415372 852886205 /nfs/dbraw/zinc/88/62/05/852886205.db2.gz WNOKSBRICOTGKK-VQTJNVASSA-N 2 1 386.584 3.681 20 0 GHADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000516765507 852975581 /nfs/dbraw/zinc/97/55/81/852975581.db2.gz IUMDQMRJGRKIBX-WMZHIEFXSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000516765507 852975587 /nfs/dbraw/zinc/97/55/87/852975587.db2.gz IUMDQMRJGRKIBX-WMZHIEFXSA-N 2 1 379.548 3.838 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490701226 853201506 /nfs/dbraw/zinc/20/15/06/853201506.db2.gz RSNWIDHCIYXHJH-NSISKUIASA-N 2 1 394.401 3.858 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490701226 853201513 /nfs/dbraw/zinc/20/15/13/853201513.db2.gz RSNWIDHCIYXHJH-NSISKUIASA-N 2 1 394.401 3.858 20 0 GHADMP C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518341821 853239721 /nfs/dbraw/zinc/23/97/21/853239721.db2.gz LMXJPOHELYCICI-APWZRJJASA-N 2 1 396.510 3.504 20 0 GHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490780002 853255067 /nfs/dbraw/zinc/25/50/67/853255067.db2.gz DDLHGOZIBQABDU-WEYGHZABSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490780002 853255081 /nfs/dbraw/zinc/25/50/81/853255081.db2.gz DDLHGOZIBQABDU-WEYGHZABSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483944 853266553 /nfs/dbraw/zinc/26/65/53/853266553.db2.gz CZEROTNUDBMINQ-RBUKOAKNSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483944 853266559 /nfs/dbraw/zinc/26/65/59/853266559.db2.gz CZEROTNUDBMINQ-RBUKOAKNSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483944 853266565 /nfs/dbraw/zinc/26/65/65/853266565.db2.gz CZEROTNUDBMINQ-RBUKOAKNSA-N 2 1 391.987 3.933 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517084719 853338441 /nfs/dbraw/zinc/33/84/41/853338441.db2.gz MKBXDFUHKBJAPM-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517084719 853338443 /nfs/dbraw/zinc/33/84/43/853338443.db2.gz MKBXDFUHKBJAPM-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517084719 853338454 /nfs/dbraw/zinc/33/84/54/853338454.db2.gz MKBXDFUHKBJAPM-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000517084719 853338464 /nfs/dbraw/zinc/33/84/64/853338464.db2.gz MKBXDFUHKBJAPM-IBGZPJMESA-N 2 1 397.485 3.614 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000519659042 853345074 /nfs/dbraw/zinc/34/50/74/853345074.db2.gz DUEROIFSQHZOBS-XMMPIXPASA-N 2 1 385.596 3.530 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000519659042 853345076 /nfs/dbraw/zinc/34/50/76/853345076.db2.gz DUEROIFSQHZOBS-XMMPIXPASA-N 3 1 385.596 3.530 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000519659042 853345080 /nfs/dbraw/zinc/34/50/80/853345080.db2.gz DUEROIFSQHZOBS-XMMPIXPASA-N 3 1 385.596 3.530 20 0 GHADMP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491046814 853425632 /nfs/dbraw/zinc/42/56/32/853425632.db2.gz FMKDSUQUVIBRDV-LJQANCHMSA-N 2 1 399.604 3.639 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(C)ccc1C ZINC000623864737 862464830 /nfs/dbraw/zinc/46/48/30/862464830.db2.gz XLGMSZIPEWOXFE-HSZRJFAPSA-N 2 1 379.548 3.932 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623866342 862466482 /nfs/dbraw/zinc/46/64/82/862466482.db2.gz RTCVWNYRIKWEKG-DZFGPLHGSA-N 2 1 399.560 3.765 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000669125181 853466553 /nfs/dbraw/zinc/46/65/53/853466553.db2.gz XVUPJDUAICAASP-GOSISDBHSA-N 2 1 392.547 3.521 20 0 GHADMP C[C@H](NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000518543606 853480465 /nfs/dbraw/zinc/48/04/65/853480465.db2.gz OGIOCOCIJDDOPU-PTLVVNQVSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000518543606 853480474 /nfs/dbraw/zinc/48/04/74/853480474.db2.gz OGIOCOCIJDDOPU-PTLVVNQVSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000518543606 853480480 /nfs/dbraw/zinc/48/04/80/853480480.db2.gz OGIOCOCIJDDOPU-PTLVVNQVSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000437755854 853495627 /nfs/dbraw/zinc/49/56/27/853495627.db2.gz FKZVLPWYQPLZHS-FQEVSTJZSA-N 2 1 396.531 3.874 20 0 GHADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000437755854 853495632 /nfs/dbraw/zinc/49/56/32/853495632.db2.gz FKZVLPWYQPLZHS-FQEVSTJZSA-N 2 1 396.531 3.874 20 0 GHADMP CC[C@H](C)Oc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000437832303 853561519 /nfs/dbraw/zinc/56/15/19/853561519.db2.gz FSSAPJXALJOTMG-AZUAARDMSA-N 2 1 390.572 3.744 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000518637993 853598657 /nfs/dbraw/zinc/59/86/57/853598657.db2.gz JHVCWGLENAUVFW-XXBNENTESA-N 2 1 379.548 3.980 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000518637993 853598662 /nfs/dbraw/zinc/59/86/62/853598662.db2.gz JHVCWGLENAUVFW-XXBNENTESA-N 2 1 379.548 3.980 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414915647 853614218 /nfs/dbraw/zinc/61/42/18/853614218.db2.gz OJQWICSWOPZJHF-IBGZPJMESA-N 2 1 391.357 3.731 20 0 GHADMP COc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)ccc1Br ZINC001212144907 853646525 /nfs/dbraw/zinc/64/65/25/853646525.db2.gz GTQIXTYOLHAHIZ-AWEZNQCLSA-N 2 1 397.317 3.676 20 0 GHADMP COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)C2 ZINC000425935570 853703054 /nfs/dbraw/zinc/70/30/54/853703054.db2.gz JBCXUADUVQRKAW-AVRDEDQJSA-N 2 1 380.532 3.563 20 0 GHADMP COc1cccc2c1CC[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)C2 ZINC000425935570 853703064 /nfs/dbraw/zinc/70/30/64/853703064.db2.gz JBCXUADUVQRKAW-AVRDEDQJSA-N 2 1 380.532 3.563 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623898339 862496575 /nfs/dbraw/zinc/49/65/75/862496575.db2.gz FVEWPJKASSLBQR-UWVAXJGDSA-N 2 1 387.549 3.621 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623898339 862496584 /nfs/dbraw/zinc/49/65/84/862496584.db2.gz FVEWPJKASSLBQR-UWVAXJGDSA-N 2 1 387.549 3.621 20 0 GHADMP C[C@@H]1CN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000571710104 853996710 /nfs/dbraw/zinc/99/67/10/853996710.db2.gz GFHYINGYHVEQFD-AVRDEDQJSA-N 2 1 387.543 3.513 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(C)(C)C ZINC000604827028 862535269 /nfs/dbraw/zinc/53/52/69/862535269.db2.gz JTEFZCBXHHIFBG-HXUWFJFHSA-N 2 1 380.621 3.650 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000520391776 854165304 /nfs/dbraw/zinc/16/53/04/854165304.db2.gz PELLIKAKZIFBHJ-LEWJYISDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000520391776 854165310 /nfs/dbraw/zinc/16/53/10/854165310.db2.gz PELLIKAKZIFBHJ-LEWJYISDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000520391776 854165318 /nfs/dbraw/zinc/16/53/18/854165318.db2.gz PELLIKAKZIFBHJ-LEWJYISDSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000520391776 854165326 /nfs/dbraw/zinc/16/53/26/854165326.db2.gz PELLIKAKZIFBHJ-LEWJYISDSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1C ZINC000520405766 854176968 /nfs/dbraw/zinc/17/69/68/854176968.db2.gz VSIXBEMLFDTYBN-ZEQRLZLVSA-N 2 1 378.560 3.994 20 0 GHADMP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1C ZINC000520405766 854176969 /nfs/dbraw/zinc/17/69/69/854176969.db2.gz VSIXBEMLFDTYBN-ZEQRLZLVSA-N 2 1 378.560 3.994 20 0 GHADMP Brc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441403239 854199538 /nfs/dbraw/zinc/19/95/38/854199538.db2.gz KJUIEDVPKWNJSY-BEFAXECRSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441403239 854199541 /nfs/dbraw/zinc/19/95/41/854199541.db2.gz KJUIEDVPKWNJSY-BEFAXECRSA-N 2 1 379.342 3.777 20 0 GHADMP Cc1nc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)sc1C ZINC000112518521 854256088 /nfs/dbraw/zinc/25/60/88/854256088.db2.gz DZIOTMHVJOSSCO-INIZCTEOSA-N 2 1 386.565 3.863 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000674000510 862571676 /nfs/dbraw/zinc/57/16/76/862571676.db2.gz WACVTIGGURFDHG-GOSISDBHSA-N 2 1 396.535 3.649 20 0 GHADMP COC1CC[NH+](C2(CN[C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CCCC2)CC1 ZINC000572467967 854537414 /nfs/dbraw/zinc/53/74/14/854537414.db2.gz PZOCXBAHRWBKSH-JTHBVZDNSA-N 2 1 385.596 3.835 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000589210406 854751639 /nfs/dbraw/zinc/75/16/39/854751639.db2.gz XLDXXSCGYKXGOA-VQIMIIECSA-N 2 1 380.964 3.506 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)CC1 ZINC000590155565 855302359 /nfs/dbraw/zinc/30/23/59/855302359.db2.gz NKQBOOGCWURDKE-FQEVSTJZSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000590155565 855302367 /nfs/dbraw/zinc/30/23/67/855302367.db2.gz NKQBOOGCWURDKE-FQEVSTJZSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000590155565 855302378 /nfs/dbraw/zinc/30/23/78/855302378.db2.gz NKQBOOGCWURDKE-FQEVSTJZSA-N 2 1 386.584 3.544 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459060761 855378441 /nfs/dbraw/zinc/37/84/41/855378441.db2.gz OQKGNGNQNVFGLF-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459060761 855378445 /nfs/dbraw/zinc/37/84/45/855378445.db2.gz OQKGNGNQNVFGLF-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459060761 855378450 /nfs/dbraw/zinc/37/84/50/855378450.db2.gz OQKGNGNQNVFGLF-WVUPVLJSSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080054683 855428190 /nfs/dbraw/zinc/42/81/90/855428190.db2.gz UVOSXZFHIPPGMX-IEBWSBKVSA-N 2 1 386.584 3.648 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)C(C)C)cc1 ZINC000590786541 855586761 /nfs/dbraw/zinc/58/67/61/855586761.db2.gz DROGHIIEUMVLJR-HSZRJFAPSA-N 2 1 389.584 3.561 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590818861 855620260 /nfs/dbraw/zinc/62/02/60/855620260.db2.gz CAMGTEOVIAKSKQ-UHFFFAOYSA-N 2 1 381.948 3.729 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000591096381 855760104 /nfs/dbraw/zinc/76/01/04/855760104.db2.gz IHVJHWJNLAFHTD-UXHICEINSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591096381 855760108 /nfs/dbraw/zinc/76/01/08/855760108.db2.gz IHVJHWJNLAFHTD-UXHICEINSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591096381 855760111 /nfs/dbraw/zinc/76/01/11/855760111.db2.gz IHVJHWJNLAFHTD-UXHICEINSA-N 2 1 387.568 3.544 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000542787761 855812023 /nfs/dbraw/zinc/81/20/23/855812023.db2.gz VJWFVMSEYCNZBC-UHFFFAOYSA-N 2 1 377.492 3.915 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+](C)C1CCCC1 ZINC000591466243 856003670 /nfs/dbraw/zinc/00/36/70/856003670.db2.gz QKWMSXMXJHMVLX-IBGZPJMESA-N 2 1 387.568 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000591466243 856003675 /nfs/dbraw/zinc/00/36/75/856003675.db2.gz QKWMSXMXJHMVLX-IBGZPJMESA-N 2 1 387.568 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000591466243 856003683 /nfs/dbraw/zinc/00/36/83/856003683.db2.gz QKWMSXMXJHMVLX-IBGZPJMESA-N 2 1 387.568 3.544 20 0 GHADMP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000567889758 862747266 /nfs/dbraw/zinc/74/72/66/862747266.db2.gz RJCJLWONOPBWEP-XJUOHMSHSA-N 2 1 377.532 3.915 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426046169 856047314 /nfs/dbraw/zinc/04/73/14/856047314.db2.gz XKYHPWLRVFLFHD-FCHUYYIVSA-N 2 1 387.955 3.845 20 0 GHADMP COc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1OC(F)F ZINC000171305028 856084347 /nfs/dbraw/zinc/08/43/47/856084347.db2.gz PEPSJTSMJVUDMZ-IYBDPMFKSA-N 2 1 398.494 3.618 20 0 GHADMP COc1cccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000485111203 856123511 /nfs/dbraw/zinc/12/35/11/856123511.db2.gz ZDXGMPFEPVCJIJ-UHFFFAOYSA-N 2 1 395.547 3.868 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000591580469 856162897 /nfs/dbraw/zinc/16/28/97/856162897.db2.gz BWUZFWNTLRQAOP-IFMALSPDSA-N 2 1 386.584 3.552 20 0 GHADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc21 ZINC000303851588 856183158 /nfs/dbraw/zinc/18/31/58/856183158.db2.gz RTOQYIHSJLMZQF-QFIPXVFZSA-N 2 1 390.531 3.806 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000760879896 856209678 /nfs/dbraw/zinc/20/96/78/856209678.db2.gz JYGNQLQJURPHQG-IBGZPJMESA-N 2 1 379.589 3.972 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000760879896 856209687 /nfs/dbraw/zinc/20/96/87/856209687.db2.gz JYGNQLQJURPHQG-IBGZPJMESA-N 2 1 379.589 3.972 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000760879900 856210396 /nfs/dbraw/zinc/21/03/96/856210396.db2.gz JYGNQLQJURPHQG-LJQANCHMSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000760879900 856210402 /nfs/dbraw/zinc/21/04/02/856210402.db2.gz JYGNQLQJURPHQG-LJQANCHMSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000591710717 856226199 /nfs/dbraw/zinc/22/61/99/856226199.db2.gz GVRZOQWPOHKUIH-QGZVFWFLSA-N 2 1 395.526 3.705 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000057912356 856251511 /nfs/dbraw/zinc/25/15/11/856251511.db2.gz LWXDYLFWYMJEDI-HSZRJFAPSA-N 2 1 379.548 3.769 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2cc(Cl)ccc2I)CC1 ZINC000405541502 856260035 /nfs/dbraw/zinc/26/00/35/856260035.db2.gz SITPEGDYIJMIMQ-UHFFFAOYSA-N 2 1 378.685 3.505 20 0 GHADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000658069824 856382194 /nfs/dbraw/zinc/38/21/94/856382194.db2.gz IYKFBTNKTOICMC-OAQYLSRUSA-N 2 1 399.623 3.563 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000181246935 862810382 /nfs/dbraw/zinc/81/03/82/862810382.db2.gz VRSNPUNEBFIIRX-QHCPKHFHSA-N 2 1 394.563 3.840 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)C2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000674697432 856714312 /nfs/dbraw/zinc/71/43/12/856714312.db2.gz QHPNHKVLKJUPER-QFIPXVFZSA-N 2 1 387.568 3.603 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cc(C)n([C@@H](C)COC)c2C)CC1 ZINC000507981825 856765901 /nfs/dbraw/zinc/76/59/01/856765901.db2.gz ZRKULXJQDPWEJI-SFHVURJKSA-N 2 1 377.573 3.549 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465909960 856892699 /nfs/dbraw/zinc/89/26/99/856892699.db2.gz YOZCBSGTABBEIH-AJYBTWMASA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465909960 856892707 /nfs/dbraw/zinc/89/27/07/856892707.db2.gz YOZCBSGTABBEIH-AJYBTWMASA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465909960 856892714 /nfs/dbraw/zinc/89/27/14/856892714.db2.gz YOZCBSGTABBEIH-AJYBTWMASA-N 2 1 392.613 3.693 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)cc1 ZINC000592484310 856893600 /nfs/dbraw/zinc/89/36/00/856893600.db2.gz BZEXTALIARATAM-KNQAVFIVSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000592484310 856893610 /nfs/dbraw/zinc/89/36/10/856893610.db2.gz BZEXTALIARATAM-KNQAVFIVSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000592484310 856893618 /nfs/dbraw/zinc/89/36/18/856893618.db2.gz BZEXTALIARATAM-KNQAVFIVSA-N 2 1 398.595 3.877 20 0 GHADMP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001168581802 857217232 /nfs/dbraw/zinc/21/72/32/857217232.db2.gz ZMYLMOKCPOLBAQ-HLIPFELVSA-N 2 1 377.960 3.856 20 0 GHADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001168581802 857217240 /nfs/dbraw/zinc/21/72/40/857217240.db2.gz ZMYLMOKCPOLBAQ-HLIPFELVSA-N 2 1 377.960 3.856 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(-c4ncco4)c3)CC2)CC1 ZINC000574051389 857229239 /nfs/dbraw/zinc/22/92/39/857229239.db2.gz IHEYXWKLSRAZCP-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)s3)c2)CCO1 ZINC000282206041 857318206 /nfs/dbraw/zinc/31/82/06/857318206.db2.gz IRCQNLZWRIRFGK-QGZVFWFLSA-N 2 1 396.560 3.659 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)s3)c2)CCO1 ZINC000282206041 857318213 /nfs/dbraw/zinc/31/82/13/857318213.db2.gz IRCQNLZWRIRFGK-QGZVFWFLSA-N 2 1 396.560 3.659 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccco1 ZINC000060566784 857459992 /nfs/dbraw/zinc/45/99/92/857459992.db2.gz MUKVNRSPOLHSAL-OAQYLSRUSA-N 2 1 398.551 3.758 20 0 GHADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000246804401 857468673 /nfs/dbraw/zinc/46/86/73/857468673.db2.gz DXDVITJSBIXVMO-AVRDEDQJSA-N 2 1 387.568 3.650 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000574278045 857493622 /nfs/dbraw/zinc/49/36/22/857493622.db2.gz ZZMZIBKUZXNDCV-PWRODBHTSA-N 2 1 396.531 3.842 20 0 GHADMP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000672620890 857532309 /nfs/dbraw/zinc/53/23/09/857532309.db2.gz SZGDBUJMCXMRGW-LJQANCHMSA-N 2 1 390.930 3.852 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000061795103 857544765 /nfs/dbraw/zinc/54/47/65/857544765.db2.gz DNVHWEUHSSPDIZ-OAQYLSRUSA-N 2 1 398.551 3.758 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1F ZINC000482323966 862931899 /nfs/dbraw/zinc/93/18/99/862931899.db2.gz UVCHPECUNZQMCN-RBBKRZOGSA-N 2 1 391.575 3.724 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000675822399 857625146 /nfs/dbraw/zinc/62/51/46/857625146.db2.gz YTPXUCRANRKSRD-RBBKRZOGSA-N 2 1 399.966 3.801 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277333 857653808 /nfs/dbraw/zinc/65/38/08/857653808.db2.gz ZFFXKKGGWNMSJA-NQIIRXRSSA-N 3 1 378.564 3.802 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277333 857653815 /nfs/dbraw/zinc/65/38/15/857653815.db2.gz ZFFXKKGGWNMSJA-NQIIRXRSSA-N 2 1 378.564 3.802 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277333 857653818 /nfs/dbraw/zinc/65/38/18/857653818.db2.gz ZFFXKKGGWNMSJA-NQIIRXRSSA-N 2 1 378.564 3.802 20 0 GHADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574335718 857709830 /nfs/dbraw/zinc/70/98/30/857709830.db2.gz CAEBTXRHMWNDQI-IOMROCGXSA-N 2 1 388.502 3.616 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000605331562 862960457 /nfs/dbraw/zinc/96/04/57/862960457.db2.gz HJMOCTYSIAQKCG-LJQANCHMSA-N 2 1 395.547 3.793 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000605331562 862960463 /nfs/dbraw/zinc/96/04/63/862960463.db2.gz HJMOCTYSIAQKCG-LJQANCHMSA-N 2 1 395.547 3.793 20 0 GHADMP Cc1cccc(Oc2ccc(NC(=O)C[NH+]3CCC(OCCC[NH3+])CC3)cc2)c1 ZINC000574452674 857891644 /nfs/dbraw/zinc/89/16/44/857891644.db2.gz JHORHDQMCBXGQL-UHFFFAOYSA-N 2 1 397.519 3.556 20 0 GHADMP C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CC(C)C1 ZINC000574582915 858070441 /nfs/dbraw/zinc/07/04/41/858070441.db2.gz BIGCJFBQALZFSF-AZQUWAFASA-N 2 1 389.971 3.710 20 0 GHADMP C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CC(C)C1 ZINC000574582915 858070446 /nfs/dbraw/zinc/07/04/46/858070446.db2.gz BIGCJFBQALZFSF-AZQUWAFASA-N 2 1 389.971 3.710 20 0 GHADMP C[C@@H](C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CC(C)C1 ZINC000574582915 858070454 /nfs/dbraw/zinc/07/04/54/858070454.db2.gz BIGCJFBQALZFSF-AZQUWAFASA-N 2 1 389.971 3.710 20 0 GHADMP COc1cccc(C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccccc2)c1 ZINC000482359093 862983757 /nfs/dbraw/zinc/98/37/57/862983757.db2.gz CITRMPQBYFQIIO-VWLOTQADSA-N 2 1 395.591 3.842 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1nc2ccccc2c(=O)[nH]1 ZINC000574658608 858108515 /nfs/dbraw/zinc/10/85/15/858108515.db2.gz WAAIJWLVYMSPTB-CYGODWOOSA-N 2 1 390.531 3.624 20 0 GHADMP O=C1CCN1c1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000442804392 858130954 /nfs/dbraw/zinc/13/09/54/858130954.db2.gz ZIQIZCQEMDNOPT-OEMFJLHTSA-N 2 1 389.543 3.814 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000574689693 858163435 /nfs/dbraw/zinc/16/34/35/858163435.db2.gz PMSIPQDNYJHPHL-CQOQZXRMSA-N 2 1 393.531 3.569 20 0 GHADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000681392628 858184039 /nfs/dbraw/zinc/18/40/39/858184039.db2.gz OKZVXYJJXVEJTD-DWLFOUALSA-N 2 1 377.536 3.927 20 0 GHADMP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000681392628 858184044 /nfs/dbraw/zinc/18/40/44/858184044.db2.gz OKZVXYJJXVEJTD-DWLFOUALSA-N 2 1 377.536 3.927 20 0 GHADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000521683865 858229998 /nfs/dbraw/zinc/22/99/98/858229998.db2.gz CMYZRIHCYGIODI-ROUUACIJSA-N 2 1 394.991 3.676 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000442918665 858243105 /nfs/dbraw/zinc/24/31/05/858243105.db2.gz HRJJRSWCPLHCAQ-FQEVSTJZSA-N 2 1 375.520 3.554 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)c2cccs2)CC1 ZINC000521816033 858352044 /nfs/dbraw/zinc/35/20/44/858352044.db2.gz GTPBRWRHMAJWGH-GOSISDBHSA-N 2 1 385.577 3.912 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)c2cccs2)CC1 ZINC000521816033 858352053 /nfs/dbraw/zinc/35/20/53/858352053.db2.gz GTPBRWRHMAJWGH-GOSISDBHSA-N 2 1 385.577 3.912 20 0 GHADMP Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000521975400 858504102 /nfs/dbraw/zinc/50/41/02/858504102.db2.gz OOYHYOCSPOLIAS-IBGZPJMESA-N 2 1 377.492 3.629 20 0 GHADMP Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000521975400 858504108 /nfs/dbraw/zinc/50/41/08/858504108.db2.gz OOYHYOCSPOLIAS-IBGZPJMESA-N 2 1 377.492 3.629 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000498600854 858646880 /nfs/dbraw/zinc/64/68/80/858646880.db2.gz PQJKJGXFMMBTKF-UHFFFAOYSA-N 2 1 377.532 3.631 20 0 GHADMP CCC[N@H+](C[C@H]1COc2ccccc2O1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000676701159 858760180 /nfs/dbraw/zinc/76/01/80/858760180.db2.gz AMVDILVJEATIEI-FQEVSTJZSA-N 2 1 396.535 3.614 20 0 GHADMP CCC[N@@H+](C[C@H]1COc2ccccc2O1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000676701159 858760181 /nfs/dbraw/zinc/76/01/81/858760181.db2.gz AMVDILVJEATIEI-FQEVSTJZSA-N 2 1 396.535 3.614 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168019412 858777056 /nfs/dbraw/zinc/77/70/56/858777056.db2.gz IWAGNXKPYGYCSU-NNTZPNAXSA-N 2 1 377.532 3.971 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc3NC2=O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019412 858777063 /nfs/dbraw/zinc/77/70/63/858777063.db2.gz IWAGNXKPYGYCSU-NNTZPNAXSA-N 2 1 377.532 3.971 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000116066965 858811484 /nfs/dbraw/zinc/81/14/84/858811484.db2.gz AMSGNYXMICUWMC-HYBUGGRVSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cn1 ZINC000028888679 858850710 /nfs/dbraw/zinc/85/07/10/858850710.db2.gz PNCGDZWXCMAKOE-INIZCTEOSA-N 2 1 386.927 3.838 20 0 GHADMP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)sc1C ZINC000443596748 859023938 /nfs/dbraw/zinc/02/39/38/859023938.db2.gz BHORFXCGMWRMOE-MRXNPFEDSA-N 2 1 378.586 3.675 20 0 GHADMP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCC1 ZINC000185011990 859031603 /nfs/dbraw/zinc/03/16/03/859031603.db2.gz DVAKOMPPPAYWKZ-PKOBYXMFSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605488 859034360 /nfs/dbraw/zinc/03/43/60/859034360.db2.gz VTBSIQDAMLDVRE-INIZCTEOSA-N 2 1 378.948 3.650 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170333299 881374722 /nfs/dbraw/zinc/37/47/22/881374722.db2.gz NKCHUEXZKOMCOI-DKUWSORSSA-N 2 1 392.547 3.834 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170333299 881374742 /nfs/dbraw/zinc/37/47/42/881374742.db2.gz NKCHUEXZKOMCOI-DKUWSORSSA-N 2 1 392.547 3.834 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000185165365 859051397 /nfs/dbraw/zinc/05/13/97/859051397.db2.gz BGMSXLWDMZQOTK-HNNXBMFYSA-N 2 1 389.341 3.526 20 0 GHADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000185192409 859054447 /nfs/dbraw/zinc/05/44/47/859054447.db2.gz MOYGPTRVKFCMDK-IBGZPJMESA-N 2 1 388.577 3.787 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185663872 859114964 /nfs/dbraw/zinc/11/49/64/859114964.db2.gz VQEBDZHOTCLOQK-PKOBYXMFSA-N 2 1 389.609 3.610 20 0 GHADMP CSc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185663872 859114967 /nfs/dbraw/zinc/11/49/67/859114967.db2.gz VQEBDZHOTCLOQK-PKOBYXMFSA-N 2 1 389.609 3.610 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185705582 859118949 /nfs/dbraw/zinc/11/89/49/859118949.db2.gz CGJXFVUEPQZLOS-SOLBZPMBSA-N 2 1 377.960 3.587 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705582 859118954 /nfs/dbraw/zinc/11/89/54/859118954.db2.gz CGJXFVUEPQZLOS-SOLBZPMBSA-N 2 1 377.960 3.587 20 0 GHADMP CCCC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000185714068 859120728 /nfs/dbraw/zinc/12/07/28/859120728.db2.gz JQKAARJTTZUKQR-LMMKCTJWSA-N 2 1 376.545 3.723 20 0 GHADMP CCCC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000185714068 859120731 /nfs/dbraw/zinc/12/07/31/859120731.db2.gz JQKAARJTTZUKQR-LMMKCTJWSA-N 2 1 376.545 3.723 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734010 859122754 /nfs/dbraw/zinc/12/27/54/859122754.db2.gz HKTDAZUJJIGWAB-YESZJQIVSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734010 859122759 /nfs/dbraw/zinc/12/27/59/859122759.db2.gz HKTDAZUJJIGWAB-YESZJQIVSA-N 2 1 375.582 3.978 20 0 GHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CCC(C)(C)C1 ZINC000483095360 859147175 /nfs/dbraw/zinc/14/71/75/859147175.db2.gz AIBVYTJCUPJVCM-LJQANCHMSA-N 2 1 375.582 3.684 20 0 GHADMP O=C(C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000483112727 859157225 /nfs/dbraw/zinc/15/72/25/859157225.db2.gz UDTWFHXIIQVHAO-QFIPXVFZSA-N 2 1 395.522 3.527 20 0 GHADMP COc1cccc(COCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499187108 881404833 /nfs/dbraw/zinc/40/48/33/881404833.db2.gz DEAGPOZJJXSUGX-NUNAXRQHSA-N 2 1 380.532 3.997 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000923401980 859285118 /nfs/dbraw/zinc/28/51/18/859285118.db2.gz RFWOJWZPWBGZDN-DSJMHWKBSA-N 2 1 396.375 3.628 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000923401980 859285124 /nfs/dbraw/zinc/28/51/24/859285124.db2.gz RFWOJWZPWBGZDN-DSJMHWKBSA-N 2 1 396.375 3.628 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194889480 859327290 /nfs/dbraw/zinc/32/72/90/859327290.db2.gz VKMFTWMUFVFOGW-IBGZPJMESA-N 2 1 397.567 3.559 20 0 GHADMP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000597238411 859370886 /nfs/dbraw/zinc/37/08/86/859370886.db2.gz IJCYXEZIUOGLPS-IRLDBZIGSA-N 2 1 376.516 3.544 20 0 GHADMP Cc1ccc(CCC[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cn1 ZINC000856558282 881419972 /nfs/dbraw/zinc/41/99/72/881419972.db2.gz FKRDXRJKBJXPIT-QHCPKHFHSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccc(CCC[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cn1 ZINC000856558282 881420000 /nfs/dbraw/zinc/42/00/00/881420000.db2.gz FKRDXRJKBJXPIT-QHCPKHFHSA-N 2 1 382.552 3.711 20 0 GHADMP Cc1ccc(CCC[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cn1 ZINC000856558282 881420037 /nfs/dbraw/zinc/42/00/37/881420037.db2.gz FKRDXRJKBJXPIT-QHCPKHFHSA-N 2 1 382.552 3.711 20 0 GHADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)CCO2 ZINC000764467314 859458784 /nfs/dbraw/zinc/45/87/84/859458784.db2.gz VERYZIFXTMHMFC-WOJBJXKFSA-N 2 1 385.577 3.712 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cnn1-c1ccccc1 ZINC000764636789 859542996 /nfs/dbraw/zinc/54/29/96/859542996.db2.gz SVNGCXQRUPJKOL-IBGZPJMESA-N 2 1 390.531 3.864 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000483725691 859561561 /nfs/dbraw/zinc/56/15/61/859561561.db2.gz NKRDVNNNNCMCOF-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccsc1 ZINC000483728044 859582275 /nfs/dbraw/zinc/58/22/75/859582275.db2.gz OQYVSBXAJGSYCM-NEWSRXKRSA-N 2 1 380.602 3.645 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C[C@@H]1C ZINC000483816577 859636387 /nfs/dbraw/zinc/63/63/87/859636387.db2.gz JOLQIRZINAWETG-JQVVWYNYSA-N 2 1 386.584 3.726 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000611286031 859682844 /nfs/dbraw/zinc/68/28/44/859682844.db2.gz CWAYMAFVVXFGOO-LJQANCHMSA-N 2 1 376.541 3.571 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(-c3ccc(F)cc3)n1)C2 ZINC000922387758 859866997 /nfs/dbraw/zinc/86/69/97/859866997.db2.gz MUKXJQOSDMMCDW-WERVVEIQSA-N 2 1 389.540 3.519 20 0 GHADMP CCOc1ccccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562196 881471629 /nfs/dbraw/zinc/47/16/29/881471629.db2.gz VUTYDPHDQLXBRA-JOCHJYFZSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562196 881471639 /nfs/dbraw/zinc/47/16/39/881471639.db2.gz VUTYDPHDQLXBRA-JOCHJYFZSA-N 2 1 383.536 3.974 20 0 GHADMP CCOc1ccccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856562196 881471648 /nfs/dbraw/zinc/47/16/48/881471648.db2.gz VUTYDPHDQLXBRA-JOCHJYFZSA-N 2 1 383.536 3.974 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCOC2=O)c1 ZINC000765266878 859883896 /nfs/dbraw/zinc/88/38/96/859883896.db2.gz JKRWIURBBQFFKF-GCJKJVERSA-N 2 1 379.504 3.643 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)[C@@H](C)C1 ZINC000484288116 859925608 /nfs/dbraw/zinc/92/56/08/859925608.db2.gz HQTFWHFCARQXLI-CUWPLCDZSA-N 2 1 379.976 3.645 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000765369586 859931762 /nfs/dbraw/zinc/93/17/62/859931762.db2.gz HPMUDDAAKNNWEO-YKSBVNFPSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(Br)cc1F ZINC000568558421 860073495 /nfs/dbraw/zinc/07/34/95/860073495.db2.gz UCOXUBGPYGWNLQ-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP O=C1[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1c1ccc(Cl)cc1Cl ZINC000474428202 860087335 /nfs/dbraw/zinc/08/73/35/860087335.db2.gz QKDWPEBHYXBGBZ-YQQAZPJKSA-N 2 1 382.335 3.705 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]3CCCCC34CC[NH2+]CC4)n2)cn1 ZINC000904092654 860139557 /nfs/dbraw/zinc/13/95/57/860139557.db2.gz SLYLXZOCINBRBI-QGZVFWFLSA-N 2 1 378.480 3.653 20 0 GHADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000093713279 860336530 /nfs/dbraw/zinc/33/65/30/860336530.db2.gz SUPFZYCHWPIOGZ-MHZLTWQESA-N 2 1 386.561 3.531 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698910 860418303 /nfs/dbraw/zinc/41/83/03/860418303.db2.gz VEQJFFJWYWQIMV-NPPFBWRTSA-N 2 1 377.532 3.909 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc2c(c1)CC(=O)N2C ZINC000765698910 860418312 /nfs/dbraw/zinc/41/83/12/860418312.db2.gz VEQJFFJWYWQIMV-NPPFBWRTSA-N 2 1 377.532 3.909 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000474602804 860447111 /nfs/dbraw/zinc/44/71/11/860447111.db2.gz UIBOKAGKPHRAOK-HCXYKTFWSA-N 2 1 378.557 3.675 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000904503851 860479611 /nfs/dbraw/zinc/47/96/11/860479611.db2.gz LSQWEJRZKBRXSK-URVUXULASA-N 2 1 378.520 3.568 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000484925142 860500468 /nfs/dbraw/zinc/50/04/68/860500468.db2.gz YSMLJQJMLFREDM-OKZBNKHCSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000484925142 860500477 /nfs/dbraw/zinc/50/04/77/860500477.db2.gz YSMLJQJMLFREDM-OKZBNKHCSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000484925142 860500485 /nfs/dbraw/zinc/50/04/85/860500485.db2.gz YSMLJQJMLFREDM-OKZBNKHCSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C(C)C)cc1Cl ZINC000484925142 860500496 /nfs/dbraw/zinc/50/04/96/860500496.db2.gz YSMLJQJMLFREDM-OKZBNKHCSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000484925141 860500646 /nfs/dbraw/zinc/50/06/46/860500646.db2.gz YSMLJQJMLFREDM-KZNAEPCWSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000484925141 860500652 /nfs/dbraw/zinc/50/06/52/860500652.db2.gz YSMLJQJMLFREDM-KZNAEPCWSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000484925141 860500656 /nfs/dbraw/zinc/50/06/56/860500656.db2.gz YSMLJQJMLFREDM-KZNAEPCWSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000484925141 860500660 /nfs/dbraw/zinc/50/06/60/860500660.db2.gz YSMLJQJMLFREDM-KZNAEPCWSA-N 2 1 382.976 3.926 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)C[C@@H]1c1ccccc1 ZINC000453345221 860652587 /nfs/dbraw/zinc/65/25/87/860652587.db2.gz FERUPXMCILASGC-AHJNKEMKSA-N 2 1 382.552 3.805 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)C[C@@H]1c1ccccc1 ZINC000453345221 860652594 /nfs/dbraw/zinc/65/25/94/860652594.db2.gz FERUPXMCILASGC-AHJNKEMKSA-N 2 1 382.552 3.805 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOC3CCCCCC3)C2)ccn1 ZINC000856590868 881564368 /nfs/dbraw/zinc/56/43/68/881564368.db2.gz CWDAGTPGCOAORI-QFIPXVFZSA-N 2 1 375.557 3.726 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOC3CCCCCC3)C2)ccn1 ZINC000856590868 881564375 /nfs/dbraw/zinc/56/43/75/881564375.db2.gz CWDAGTPGCOAORI-QFIPXVFZSA-N 2 1 375.557 3.726 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOC3CCCCCC3)C2)ccn1 ZINC000856590868 881564384 /nfs/dbraw/zinc/56/43/84/881564384.db2.gz CWDAGTPGCOAORI-QFIPXVFZSA-N 2 1 375.557 3.726 20 0 GHADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000474729289 860686343 /nfs/dbraw/zinc/68/63/43/860686343.db2.gz FLWWAZHFIXZBCN-HXUWFJFHSA-N 2 1 378.495 3.666 20 0 GHADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000474729289 860686354 /nfs/dbraw/zinc/68/63/54/860686354.db2.gz FLWWAZHFIXZBCN-HXUWFJFHSA-N 2 1 378.495 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489791046 860753350 /nfs/dbraw/zinc/75/33/50/860753350.db2.gz YOKNTWLNDVJKNN-QIJUGHKUSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000489824429 860762710 /nfs/dbraw/zinc/76/27/10/860762710.db2.gz DELZFUGNQLHTQU-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP COc1nc(C)cc(C)c1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856603561 881577367 /nfs/dbraw/zinc/57/73/67/881577367.db2.gz BZEJKAUGTHLMFB-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856603561 881577376 /nfs/dbraw/zinc/57/73/76/881577376.db2.gz BZEJKAUGTHLMFB-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856603561 881577386 /nfs/dbraw/zinc/57/73/86/881577386.db2.gz BZEJKAUGTHLMFB-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603549 881577698 /nfs/dbraw/zinc/57/76/98/881577698.db2.gz BMYFLFBBXJYWKV-HSZRJFAPSA-N 2 1 389.584 3.972 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603549 881577711 /nfs/dbraw/zinc/57/77/11/881577711.db2.gz BMYFLFBBXJYWKV-HSZRJFAPSA-N 2 1 389.584 3.972 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCCC3CCOCC3)C2)ccn1 ZINC000856603549 881577716 /nfs/dbraw/zinc/57/77/16/881577716.db2.gz BMYFLFBBXJYWKV-HSZRJFAPSA-N 2 1 389.584 3.972 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606240 881582479 /nfs/dbraw/zinc/58/24/79/881582479.db2.gz JVMZFCQTKDZNHP-QAPCUYQASA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606240 881582484 /nfs/dbraw/zinc/58/24/84/881582484.db2.gz JVMZFCQTKDZNHP-QAPCUYQASA-N 2 1 386.367 3.959 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856606240 881582488 /nfs/dbraw/zinc/58/24/88/881582488.db2.gz JVMZFCQTKDZNHP-QAPCUYQASA-N 2 1 386.367 3.959 20 0 GHADMP CCC[N@H+](C[C@H](O)c1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477309 881586785 /nfs/dbraw/zinc/58/67/85/881586785.db2.gz QCJDZZFMPNRJDI-NRFANRHFSA-N 2 1 386.515 3.647 20 0 GHADMP CCC[N@@H+](C[C@H](O)c1ccccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477309 881586800 /nfs/dbraw/zinc/58/68/00/881586800.db2.gz QCJDZZFMPNRJDI-NRFANRHFSA-N 2 1 386.515 3.647 20 0 GHADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000623363451 860935744 /nfs/dbraw/zinc/93/57/44/860935744.db2.gz VFHQEZPZEJYPFQ-AZUAARDMSA-N 2 1 387.568 3.601 20 0 GHADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000623363451 860935759 /nfs/dbraw/zinc/93/57/59/860935759.db2.gz VFHQEZPZEJYPFQ-AZUAARDMSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000170921861 860990386 /nfs/dbraw/zinc/99/03/86/860990386.db2.gz XJWCDAZNADIHRF-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1cccc2c1CC[N@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000170921861 860990411 /nfs/dbraw/zinc/99/04/11/860990411.db2.gz XJWCDAZNADIHRF-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623444326 861073788 /nfs/dbraw/zinc/07/37/88/861073788.db2.gz CZFJHHVXQDQHLD-MJGOQNOKSA-N 2 1 375.557 3.505 20 0 GHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000281585798 863268216 /nfs/dbraw/zinc/26/82/16/863268216.db2.gz LLLLEBQYBVPKJU-UGKGYDQZSA-N 2 1 384.495 3.568 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SC2CCCC2)cc1 ZINC000482540215 863278508 /nfs/dbraw/zinc/27/85/08/863278508.db2.gz FHKYIKJLDGWKQZ-PKOBYXMFSA-N 2 1 389.609 3.959 20 0 GHADMP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482560201 863313991 /nfs/dbraw/zinc/31/39/91/863313991.db2.gz XJDSPWICEIWBEW-HKUYNNGSSA-N 2 1 399.501 3.970 20 0 GHADMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000482570155 863329011 /nfs/dbraw/zinc/32/90/11/863329011.db2.gz SVSQRULLBYEKBP-SFHVURJKSA-N 2 1 379.342 3.671 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1 ZINC000182744205 863344599 /nfs/dbraw/zinc/34/45/99/863344599.db2.gz WMONTUAYCHBMQQ-UHFFFAOYSA-N 2 1 391.604 3.719 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCc2cccc(F)c2)C2CCCC2)CC1 ZINC000152578141 881662601 /nfs/dbraw/zinc/66/26/01/881662601.db2.gz YLDJZINXWYGUAX-UHFFFAOYSA-N 2 1 389.559 3.602 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(C)c(F)c2)cc1 ZINC000183144597 863485892 /nfs/dbraw/zinc/48/58/92/863485892.db2.gz SBBQTKXUYHESLP-INIZCTEOSA-N 2 1 380.467 3.595 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000665555347 863563688 /nfs/dbraw/zinc/56/36/88/863563688.db2.gz BYNUHNGIXLNIGE-HLAWJBBLSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000665555347 863563692 /nfs/dbraw/zinc/56/36/92/863563692.db2.gz BYNUHNGIXLNIGE-HLAWJBBLSA-N 2 1 386.584 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000665555347 863563704 /nfs/dbraw/zinc/56/37/04/863563704.db2.gz BYNUHNGIXLNIGE-HLAWJBBLSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000665554064 863565816 /nfs/dbraw/zinc/56/58/16/863565816.db2.gz FFIFVCBJMZFNPC-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000665554064 863565828 /nfs/dbraw/zinc/56/58/28/863565828.db2.gz FFIFVCBJMZFNPC-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000665554064 863565838 /nfs/dbraw/zinc/56/58/38/863565838.db2.gz FFIFVCBJMZFNPC-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000158666042 863907150 /nfs/dbraw/zinc/90/71/50/863907150.db2.gz BIYIAIFCSXKYON-KRWDZBQOSA-N 2 1 383.517 3.695 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H]2C(=O)N2CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054831 863986481 /nfs/dbraw/zinc/98/64/81/863986481.db2.gz UJFPHOMCKPTRQG-IRMYBRCSSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@@H]2C(=O)N2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054831 863986490 /nfs/dbraw/zinc/98/64/90/863986490.db2.gz UJFPHOMCKPTRQG-IRMYBRCSSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054831 863986497 /nfs/dbraw/zinc/98/64/97/863986497.db2.gz UJFPHOMCKPTRQG-IRMYBRCSSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054831 863986508 /nfs/dbraw/zinc/98/65/08/863986508.db2.gz UJFPHOMCKPTRQG-IRMYBRCSSA-N 2 1 383.580 3.905 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccccc1OCC(C)C ZINC000607057857 864018038 /nfs/dbraw/zinc/01/80/38/864018038.db2.gz NRJBITIQVVUHIP-IBGZPJMESA-N 2 1 390.572 3.601 20 0 GHADMP O=c1[nH]ccc2oc(C[NH2+][C@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc21 ZINC000898516933 864073617 /nfs/dbraw/zinc/07/36/17/864073617.db2.gz FRJJSSHUNIKXFG-QYZOEREBSA-N 2 1 377.488 3.924 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000480230114 864312149 /nfs/dbraw/zinc/31/21/49/864312149.db2.gz QZEBGQDDBOJJSN-SDUSCBPUSA-N 2 1 393.575 3.560 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000607339446 864314227 /nfs/dbraw/zinc/31/42/27/864314227.db2.gz AESHCCITUGZEKF-HXUWFJFHSA-N 2 1 389.927 3.912 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000621751187 864398599 /nfs/dbraw/zinc/39/85/99/864398599.db2.gz BPCOHCYVKYCZBX-GMAHTHKFSA-N 2 1 377.532 3.986 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+]C4CC[NH+](C5CC5)CC4)cc3)nc12 ZINC000063313015 864540067 /nfs/dbraw/zinc/54/00/67/864540067.db2.gz LKWGREILXJFRTE-UHFFFAOYSA-N 2 1 390.531 3.938 20 0 GHADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000163621772 864542811 /nfs/dbraw/zinc/54/28/11/864542811.db2.gz QOFRUTQVPUSXES-UHFFFAOYSA-N 2 1 382.430 3.951 20 0 GHADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000163621772 864542822 /nfs/dbraw/zinc/54/28/22/864542822.db2.gz QOFRUTQVPUSXES-UHFFFAOYSA-N 2 1 382.430 3.951 20 0 GHADMP COCC[N@@H+](C)CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994828 864706850 /nfs/dbraw/zinc/70/68/50/864706850.db2.gz SSGIKDMCIOUUCG-GHTZIAJQSA-N 2 1 384.520 3.818 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)c(C(C)C)nc2s1 ZINC000475293931 864707175 /nfs/dbraw/zinc/70/71/75/864707175.db2.gz LTHXUUKMKCDPDV-GOSISDBHSA-N 2 1 383.565 3.834 20 0 GHADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(C(C)C)nc2s1 ZINC000475293931 864707178 /nfs/dbraw/zinc/70/71/78/864707178.db2.gz LTHXUUKMKCDPDV-GOSISDBHSA-N 2 1 383.565 3.834 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000567423831 864733336 /nfs/dbraw/zinc/73/33/36/864733336.db2.gz DWODMKLPSGRGOX-UHFFFAOYSA-N 2 1 387.430 3.850 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(F)c(F)c3F)CC2)CC1 ZINC000667683035 864772759 /nfs/dbraw/zinc/77/27/59/864772759.db2.gz CQYWMBVXXUEPLM-UHFFFAOYSA-N 2 1 383.502 3.732 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1)CC1CC1 ZINC000475363150 864859576 /nfs/dbraw/zinc/85/95/76/864859576.db2.gz SFASHUNGDWHLTQ-UHFFFAOYSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000480606752 864964497 /nfs/dbraw/zinc/96/44/97/864964497.db2.gz FCBMRCJQSNMPSY-CVDCTZTESA-N 2 1 377.532 3.814 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000480606752 864964502 /nfs/dbraw/zinc/96/45/02/864964502.db2.gz FCBMRCJQSNMPSY-CVDCTZTESA-N 2 1 377.532 3.814 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c(C)c1 ZINC000554831579 864970483 /nfs/dbraw/zinc/97/04/83/864970483.db2.gz UYVHVVMOPJOUTL-HSZRJFAPSA-N 2 1 382.548 3.606 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c2)CC1 ZINC000182676341 864972564 /nfs/dbraw/zinc/97/25/64/864972564.db2.gz GEARCCSDPAXHMG-GOTSBHOMSA-N 2 1 398.595 3.544 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000455950979 865033653 /nfs/dbraw/zinc/03/36/53/865033653.db2.gz YXFUTMUXJPXGBH-OAHLLOKOSA-N 2 1 396.963 3.665 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000608168025 865042635 /nfs/dbraw/zinc/04/26/35/865042635.db2.gz WVGKKMANEYSHPK-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000608168025 865042641 /nfs/dbraw/zinc/04/26/41/865042641.db2.gz WVGKKMANEYSHPK-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000608168025 865042648 /nfs/dbraw/zinc/04/26/48/865042648.db2.gz WVGKKMANEYSHPK-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000169097777 865057387 /nfs/dbraw/zinc/05/73/87/865057387.db2.gz RBPRHWWELLJFQN-HXUWFJFHSA-N 2 1 381.486 3.744 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000169097777 865057402 /nfs/dbraw/zinc/05/74/02/865057402.db2.gz RBPRHWWELLJFQN-HXUWFJFHSA-N 2 1 381.486 3.744 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000480876853 865447318 /nfs/dbraw/zinc/44/73/18/865447318.db2.gz CHVLXJDTHMUZMM-QFIPXVFZSA-N 2 1 387.568 3.796 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000480876852 865447650 /nfs/dbraw/zinc/44/76/50/865447650.db2.gz CHVLXJDTHMUZMM-JOCHJYFZSA-N 2 1 387.568 3.796 20 0 GHADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000480909351 865488622 /nfs/dbraw/zinc/48/86/22/865488622.db2.gz OWBIWQHTKOGSLJ-FGZHOGPDSA-N 2 1 387.568 3.652 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000608699675 865603399 /nfs/dbraw/zinc/60/33/99/865603399.db2.gz SDKUNHLJSHKVLQ-OAQYLSRUSA-N 2 1 398.551 3.584 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000608699675 865603404 /nfs/dbraw/zinc/60/34/04/865603404.db2.gz SDKUNHLJSHKVLQ-OAQYLSRUSA-N 2 1 398.551 3.584 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000608746897 865632973 /nfs/dbraw/zinc/63/29/73/865632973.db2.gz ZPYWVAKTHMNGEP-UHFFFAOYSA-N 2 1 387.337 3.911 20 0 GHADMP C[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000263034121 881893771 /nfs/dbraw/zinc/89/37/71/881893771.db2.gz UXLBZDKYEGVQFK-ZDUSSCGKSA-N 2 1 377.410 3.549 20 0 GHADMP C[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCc2ccccc2C1 ZINC000263034121 881893782 /nfs/dbraw/zinc/89/37/82/881893782.db2.gz UXLBZDKYEGVQFK-ZDUSSCGKSA-N 2 1 377.410 3.549 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC3([NH+](C)C)CCC3)c2c1C ZINC000302477634 865823466 /nfs/dbraw/zinc/82/34/66/865823466.db2.gz FQEFWXDCNNRECC-UHFFFAOYSA-N 2 1 387.597 3.824 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@H+](C2CCC2)C1 ZINC000667824694 865850223 /nfs/dbraw/zinc/85/02/23/865850223.db2.gz GSOPFYUZUSBEIL-ZDUSSCGKSA-N 2 1 384.446 3.502 20 0 GHADMP Cc1[nH]c2ccc(Cl)cc2c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000623017541 865921028 /nfs/dbraw/zinc/92/10/28/865921028.db2.gz ZOGUZEGYQWPSCC-UHFFFAOYSA-N 2 1 383.883 3.529 20 0 GHADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)cs1 ZINC000456260415 866315869 /nfs/dbraw/zinc/31/58/69/866315869.db2.gz FOOFILRNLFPJMF-NRFANRHFSA-N 2 1 398.576 3.851 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c2C)cc1 ZINC000494576280 881965943 /nfs/dbraw/zinc/96/59/43/881965943.db2.gz WRBSWIWUJVYIMJ-UHFFFAOYSA-N 2 1 384.568 3.956 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(Cl)s3)CC2)CC1 ZINC000552854494 866352898 /nfs/dbraw/zinc/35/28/98/866352898.db2.gz REJNFGCFOOTMEO-UHFFFAOYSA-N 2 1 383.989 3.556 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCSc4ccccc43)CC2)CC1 ZINC000552855451 866353826 /nfs/dbraw/zinc/35/38/26/866353826.db2.gz LYTUJPAFDNHDBV-FQEVSTJZSA-N 2 1 387.593 3.536 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000552871327 866359943 /nfs/dbraw/zinc/35/99/43/866359943.db2.gz CRVYLTQPDXBSHV-OAQYLSRUSA-N 2 1 377.488 3.602 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620196092 866535213 /nfs/dbraw/zinc/53/52/13/866535213.db2.gz MEHRCWYUIIJELY-CTNGQTDRSA-N 2 1 394.563 3.815 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620196092 866535215 /nfs/dbraw/zinc/53/52/15/866535215.db2.gz MEHRCWYUIIJELY-CTNGQTDRSA-N 2 1 394.563 3.815 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000127292868 866649193 /nfs/dbraw/zinc/64/91/93/866649193.db2.gz YYEROJHVZYTDNX-JLHGSKIFSA-N 2 1 391.556 3.521 20 0 GHADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000478801913 866671024 /nfs/dbraw/zinc/67/10/24/866671024.db2.gz SCAYTQIFNSIDBA-QTEQDKRBSA-N 2 1 398.595 3.687 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414080155 866743407 /nfs/dbraw/zinc/74/34/07/866743407.db2.gz CVFIRIVSBXVSRA-NQIIRXRSSA-N 2 1 391.987 3.899 20 0 GHADMP CCCCOC(=O)[C@H](C)[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000741788306 866788913 /nfs/dbraw/zinc/78/89/13/866788913.db2.gz UFSVXPPSANCEKT-KRWDZBQOSA-N 2 1 376.545 3.506 20 0 GHADMP CCCCOC(=O)[C@H](C)[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000741788306 866788925 /nfs/dbraw/zinc/78/89/25/866788925.db2.gz UFSVXPPSANCEKT-KRWDZBQOSA-N 2 1 376.545 3.506 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000478875367 866806284 /nfs/dbraw/zinc/80/62/84/866806284.db2.gz OSWYRDNFFPDJFI-TXTKFYIRSA-N 2 1 398.595 3.829 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000121268983 882015636 /nfs/dbraw/zinc/01/56/36/882015636.db2.gz NFVYBSVQDAJCHF-VGOFRKELSA-N 2 1 391.519 3.844 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1C ZINC000444584784 866928399 /nfs/dbraw/zinc/92/83/99/866928399.db2.gz VOKSXGWAPUDJTL-LZJOCLMNSA-N 2 1 383.540 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1C ZINC000444584784 866928411 /nfs/dbraw/zinc/92/84/11/866928411.db2.gz VOKSXGWAPUDJTL-LZJOCLMNSA-N 2 1 383.540 3.756 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)NCCNc1cc[nH+]cc1)C1CCCCC1 ZINC000534525945 866993170 /nfs/dbraw/zinc/99/31/70/866993170.db2.gz GTTWMXVWYMVQTB-UHFFFAOYSA-N 2 1 381.524 3.502 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)CC1 ZINC000444669819 867038817 /nfs/dbraw/zinc/03/88/17/867038817.db2.gz XGTCIHCSJYTNFS-UHFFFAOYSA-N 2 1 397.588 3.791 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000523446581 867328086 /nfs/dbraw/zinc/32/80/86/867328086.db2.gz BAIZYRQTBKJHAK-LJQANCHMSA-N 2 1 390.572 3.712 20 0 GHADMP C[C@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000523537849 867528288 /nfs/dbraw/zinc/52/82/88/867528288.db2.gz FZCHMZWTVNVEPE-HXUWFJFHSA-N 2 1 377.532 3.562 20 0 GHADMP C[C@H](C(=O)N(CC[NH+]1CCCC1)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000523537849 867528306 /nfs/dbraw/zinc/52/83/06/867528306.db2.gz FZCHMZWTVNVEPE-HXUWFJFHSA-N 2 1 377.532 3.562 20 0 GHADMP CC[N@@H+](CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000523601483 867629793 /nfs/dbraw/zinc/62/97/93/867629793.db2.gz KYWYZKHDNNHMCA-UHFFFAOYSA-N 2 1 394.563 3.699 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000479418427 867711615 /nfs/dbraw/zinc/71/16/15/867711615.db2.gz TYPNGTPOGQUWKN-GOSISDBHSA-N 2 1 392.632 3.982 20 0 GHADMP CC[N@H+](CCCn1cc[nH+]c1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000534956617 867831176 /nfs/dbraw/zinc/83/11/76/867831176.db2.gz TVXFGOCAFISBEW-UHFFFAOYSA-N 2 1 384.572 3.794 20 0 GHADMP CC[N@@H+](CCCn1cc[nH+]c1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000534956617 867831217 /nfs/dbraw/zinc/83/12/17/867831217.db2.gz TVXFGOCAFISBEW-UHFFFAOYSA-N 2 1 384.572 3.794 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000553657148 867850836 /nfs/dbraw/zinc/85/08/36/867850836.db2.gz AEJWVEVBCLYXLG-HXUWFJFHSA-N 2 1 394.991 3.754 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c2ccccc2)cc1 ZINC000429541757 882134036 /nfs/dbraw/zinc/13/40/36/882134036.db2.gz PMHVLNYHFXNTCA-DSNGMDLFSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000523782698 867955000 /nfs/dbraw/zinc/95/50/00/867955000.db2.gz AJIPQMPUSNRUTI-PXNSSMCTSA-N 2 1 394.991 3.706 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Oc4ccccc4)nn3)CC2)C[C@H](C)O1 ZINC000535034741 868005046 /nfs/dbraw/zinc/00/50/46/868005046.db2.gz CPKZQOJMSRTORV-OALUTQOASA-N 2 1 396.535 3.590 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C2CC2)c1 ZINC000121515024 882145602 /nfs/dbraw/zinc/14/56/02/882145602.db2.gz MCICHETXYSBSQM-JOCHJYFZSA-N 2 1 380.536 3.682 20 0 GHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)C1 ZINC000479710062 868390771 /nfs/dbraw/zinc/39/07/71/868390771.db2.gz BTCPKTVPNZEYBF-UNMCSNQZSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000479710062 868390790 /nfs/dbraw/zinc/39/07/90/868390790.db2.gz BTCPKTVPNZEYBF-UNMCSNQZSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000479710062 868390808 /nfs/dbraw/zinc/39/08/08/868390808.db2.gz BTCPKTVPNZEYBF-UNMCSNQZSA-N 2 1 392.632 3.650 20 0 GHADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000156894057 868494837 /nfs/dbraw/zinc/49/48/37/868494837.db2.gz JJPFGFMHUDTVPZ-MBSDFSHPSA-N 2 1 379.548 3.797 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457634984 868551900 /nfs/dbraw/zinc/55/19/00/868551900.db2.gz AKPZBEXAJXXLQC-IBGZPJMESA-N 2 1 388.600 3.981 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000457649408 868574632 /nfs/dbraw/zinc/57/46/32/868574632.db2.gz LNEJMPWAAVGLLE-HYBUGGRVSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000457649408 868574639 /nfs/dbraw/zinc/57/46/39/868574639.db2.gz LNEJMPWAAVGLLE-HYBUGGRVSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000457649408 868574648 /nfs/dbraw/zinc/57/46/48/868574648.db2.gz LNEJMPWAAVGLLE-HYBUGGRVSA-N 2 1 398.595 3.688 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000479856850 868607773 /nfs/dbraw/zinc/60/77/73/868607773.db2.gz ZYFZTVHXGJOMQJ-BAGYTPMASA-N 2 1 399.604 3.622 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CCC[NH+](C)C)s2)cc1OC ZINC000479858103 868610602 /nfs/dbraw/zinc/61/06/02/868610602.db2.gz IFSDOBGPHXFNAJ-AWEZNQCLSA-N 2 1 377.554 3.662 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000479877804 868645330 /nfs/dbraw/zinc/64/53/30/868645330.db2.gz XUTIKIIZCXSCDM-SLFFLAALSA-N 2 1 379.614 3.612 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000479877804 868645332 /nfs/dbraw/zinc/64/53/32/868645332.db2.gz XUTIKIIZCXSCDM-SLFFLAALSA-N 2 1 379.614 3.612 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000479877804 868645334 /nfs/dbraw/zinc/64/53/34/868645334.db2.gz XUTIKIIZCXSCDM-SLFFLAALSA-N 2 1 379.614 3.612 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000535397657 868688111 /nfs/dbraw/zinc/68/81/11/868688111.db2.gz HKCZUBYFKDJXBI-GOTSBHOMSA-N 2 1 394.563 3.773 20 0 GHADMP c1ccc([C@H]2CC[N@H+](CC3(C[NH+]4CC[C@@H](c5ccccc5)C4)COC3)C2)cc1 ZINC000157843431 868778774 /nfs/dbraw/zinc/77/87/74/868778774.db2.gz UJVGQBVLJSCPKF-PSWAGMNNSA-N 2 1 376.544 3.982 20 0 GHADMP c1ccc([C@H]2CC[NH+](CC3(C[N@@H+]4CC[C@@H](c5ccccc5)C4)COC3)C2)cc1 ZINC000157843431 868778778 /nfs/dbraw/zinc/77/87/78/868778778.db2.gz UJVGQBVLJSCPKF-PSWAGMNNSA-N 2 1 376.544 3.982 20 0 GHADMP c1ccc([C@H]2CC[NH+](CC3(C[N@H+]4CC[C@@H](c5ccccc5)C4)COC3)C2)cc1 ZINC000157843431 868778781 /nfs/dbraw/zinc/77/87/81/868778781.db2.gz UJVGQBVLJSCPKF-PSWAGMNNSA-N 2 1 376.544 3.982 20 0 GHADMP C[N@H+](Cc1cncn1Cc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000445806327 869008600 /nfs/dbraw/zinc/00/86/00/869008600.db2.gz USNMWTJQEAKMSW-UHFFFAOYSA-N 2 1 375.520 3.675 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cn1 ZINC000190771223 882265903 /nfs/dbraw/zinc/26/59/03/882265903.db2.gz ZCVDESLIGTYPLF-HXUWFJFHSA-N 2 1 396.579 3.828 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000524588595 869282397 /nfs/dbraw/zinc/28/23/97/869282397.db2.gz RUSYYRMEFWGLSP-QFIPXVFZSA-N 2 1 398.595 3.879 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000539895211 869982108 /nfs/dbraw/zinc/98/21/08/869982108.db2.gz TXMSEHAORXAKST-SVFBPWRDSA-N 2 1 376.541 3.558 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000539895211 869982116 /nfs/dbraw/zinc/98/21/16/869982116.db2.gz TXMSEHAORXAKST-SVFBPWRDSA-N 2 1 376.541 3.558 20 0 GHADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462749048 870016012 /nfs/dbraw/zinc/01/60/12/870016012.db2.gz GRKSWCZTNVHNRZ-QFIPXVFZSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000446590571 870070425 /nfs/dbraw/zinc/07/04/25/870070425.db2.gz PABWDOAFIAEZPA-QHCPKHFHSA-N 2 1 394.563 3.823 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n(C)c1C ZINC000462791873 870089905 /nfs/dbraw/zinc/08/99/05/870089905.db2.gz SXKJPSOAVDPSOM-QGZVFWFLSA-N 2 1 383.536 3.784 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000462799813 870117199 /nfs/dbraw/zinc/11/71/99/870117199.db2.gz YCBRJLHCPBKTRG-NKKJXINNSA-N 2 1 385.596 3.509 20 0 GHADMP C[C@H](Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462855828 870214018 /nfs/dbraw/zinc/21/40/18/870214018.db2.gz CZMQFZANXVJPBV-APTRMMRNSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CC[C@H](O)C2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462855828 870214032 /nfs/dbraw/zinc/21/40/32/870214032.db2.gz CZMQFZANXVJPBV-APTRMMRNSA-N 2 1 379.548 3.576 20 0 GHADMP C[C@H](Nc1cccc(C[NH+]2CC[C@H](O)C2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462855828 870214044 /nfs/dbraw/zinc/21/40/44/870214044.db2.gz CZMQFZANXVJPBV-APTRMMRNSA-N 2 1 379.548 3.576 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C ZINC000248007757 870260343 /nfs/dbraw/zinc/26/03/43/870260343.db2.gz KXURVIULCHTDFN-WMZHIEFXSA-N 2 1 379.548 3.852 20 0 GHADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C)cc2F)CC1)CC1CC1 ZINC000540049278 870262487 /nfs/dbraw/zinc/26/24/87/870262487.db2.gz BLEZVDGUQXWFAX-UHFFFAOYSA-N 2 1 375.532 3.907 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C)cc2F)CC1)CC1CC1 ZINC000540049278 870262502 /nfs/dbraw/zinc/26/25/02/870262502.db2.gz BLEZVDGUQXWFAX-UHFFFAOYSA-N 2 1 375.532 3.907 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)CC[N@H+]1Cc1ccccc1 ZINC000462875411 870274673 /nfs/dbraw/zinc/27/46/73/870274673.db2.gz RQLODCYVYKHMFA-CTUHWIOQSA-N 2 1 379.548 3.718 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC[NH+]1Cc1ccccc1 ZINC000462875411 870274684 /nfs/dbraw/zinc/27/46/84/870274684.db2.gz RQLODCYVYKHMFA-CTUHWIOQSA-N 2 1 379.548 3.718 20 0 GHADMP C[C@@H]1C[C@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC[NH+]1Cc1ccccc1 ZINC000462875411 870274703 /nfs/dbraw/zinc/27/47/03/870274703.db2.gz RQLODCYVYKHMFA-CTUHWIOQSA-N 2 1 379.548 3.718 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000540045879 870299073 /nfs/dbraw/zinc/29/90/73/870299073.db2.gz ZHODKKWUROKFPF-QHCPKHFHSA-N 2 1 397.563 3.677 20 0 GHADMP CN(C(=O)c1cccc2c1CCC2)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000248386988 870354285 /nfs/dbraw/zinc/35/42/85/870354285.db2.gz ONGYBDDELXGFKX-XZOQPEGZSA-N 2 1 383.580 3.585 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248538528 870479547 /nfs/dbraw/zinc/47/95/47/870479547.db2.gz ALVDCDRUGMKEKS-ZMMAXQRCSA-N 2 1 375.532 3.634 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248538528 870479560 /nfs/dbraw/zinc/47/95/60/870479560.db2.gz ALVDCDRUGMKEKS-ZMMAXQRCSA-N 2 1 375.532 3.634 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000248570794 870501181 /nfs/dbraw/zinc/50/11/81/870501181.db2.gz LYZQRUNYNJANJB-BQFCYCMXSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000248570794 870501191 /nfs/dbraw/zinc/50/11/91/870501191.db2.gz LYZQRUNYNJANJB-BQFCYCMXSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248586956 870515527 /nfs/dbraw/zinc/51/55/27/870515527.db2.gz QHZSMJQBGQQFNJ-IKGGRYGDSA-N 2 1 377.960 3.760 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248586956 870515540 /nfs/dbraw/zinc/51/55/40/870515540.db2.gz QHZSMJQBGQQFNJ-IKGGRYGDSA-N 2 1 377.960 3.760 20 0 GHADMP Cc1ccc(NCCCNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[nH+]c1 ZINC000193292714 870528307 /nfs/dbraw/zinc/52/83/07/870528307.db2.gz SQUMGDXIVVPUFR-UHFFFAOYSA-N 2 1 383.540 3.532 20 0 GHADMP Cc1ccc(NCCCNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)[nH+]c1 ZINC000193292714 870528315 /nfs/dbraw/zinc/52/83/15/870528315.db2.gz SQUMGDXIVVPUFR-UHFFFAOYSA-N 2 1 383.540 3.532 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1c1ccccc1F ZINC000462972127 870573797 /nfs/dbraw/zinc/57/37/97/870573797.db2.gz YPTFRLOQSIQRMV-BURNTYAHSA-N 2 1 393.506 3.716 20 0 GHADMP O=C1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1c1ccccc1F ZINC000462972127 870573816 /nfs/dbraw/zinc/57/38/16/870573816.db2.gz YPTFRLOQSIQRMV-BURNTYAHSA-N 2 1 393.506 3.716 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000463007703 870653914 /nfs/dbraw/zinc/65/39/14/870653914.db2.gz GWBLBEHTHQCHFN-WMZHIEFXSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000448473783 870751892 /nfs/dbraw/zinc/75/18/92/870751892.db2.gz UBLDZTTZVFPRBK-VSKRKVRLSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000448473783 870751909 /nfs/dbraw/zinc/75/19/09/870751909.db2.gz UBLDZTTZVFPRBK-VSKRKVRLSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000448473783 870751926 /nfs/dbraw/zinc/75/19/26/870751926.db2.gz UBLDZTTZVFPRBK-VSKRKVRLSA-N 2 1 392.632 3.650 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000538869952 870793632 /nfs/dbraw/zinc/79/36/32/870793632.db2.gz XWRZZVZPVKPGSE-HXUWFJFHSA-N 2 1 394.401 3.690 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000122166986 882456341 /nfs/dbraw/zinc/45/63/41/882456341.db2.gz JQZLMJZSGLXJTI-FQEVSTJZSA-N 2 1 389.584 3.701 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000122174831 882460346 /nfs/dbraw/zinc/46/03/46/882460346.db2.gz VMXAEEMTEFDLEK-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000122174831 882460350 /nfs/dbraw/zinc/46/03/50/882460350.db2.gz VMXAEEMTEFDLEK-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP COC(=O)CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000463146906 870975407 /nfs/dbraw/zinc/97/54/07/870975407.db2.gz OWUYSVBAPBXWGZ-HSZRJFAPSA-N 2 1 380.532 3.978 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CC3(N4CCSCC4)CCCC3)CC2)cc1 ZINC000463139417 870990077 /nfs/dbraw/zinc/99/00/77/870990077.db2.gz DBEBXWMDPFIWBG-UHFFFAOYSA-N 2 1 387.637 3.645 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000463141107 870996420 /nfs/dbraw/zinc/99/64/20/870996420.db2.gz NAAONFSRJSRXDN-BGYRXZFFSA-N 2 1 375.576 3.790 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000463141107 870996427 /nfs/dbraw/zinc/99/64/27/870996427.db2.gz NAAONFSRJSRXDN-BGYRXZFFSA-N 2 1 375.576 3.790 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000463141107 870996435 /nfs/dbraw/zinc/99/64/35/870996435.db2.gz NAAONFSRJSRXDN-BGYRXZFFSA-N 2 1 375.576 3.790 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000897351851 871012942 /nfs/dbraw/zinc/01/29/42/871012942.db2.gz BAIGAFKDOFAJQT-JLMWRMLUSA-N 2 1 387.568 3.504 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000463191673 871098173 /nfs/dbraw/zinc/09/81/73/871098173.db2.gz NCCPANDIFXHYAZ-VWNXMTODSA-N 3 1 398.639 3.579 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000463191673 871098190 /nfs/dbraw/zinc/09/81/90/871098190.db2.gz NCCPANDIFXHYAZ-VWNXMTODSA-N 3 1 398.639 3.579 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000539063544 871209096 /nfs/dbraw/zinc/20/90/96/871209096.db2.gz KNNHULGLEDUSEI-XUVXKRRUSA-N 2 1 378.944 3.830 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)c1 ZINC000540416497 871223741 /nfs/dbraw/zinc/22/37/41/871223741.db2.gz QIFFFJDHPCJDGA-HSZRJFAPSA-N 2 1 386.511 3.950 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000539085869 871230494 /nfs/dbraw/zinc/23/04/94/871230494.db2.gz YUOUGFSLPBRKKI-PXNSSMCTSA-N 2 1 380.511 3.755 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000539070600 871256585 /nfs/dbraw/zinc/25/65/85/871256585.db2.gz IGXWFEPULUVNFT-MBSDFSHPSA-N 2 1 381.520 3.524 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000539070600 871256605 /nfs/dbraw/zinc/25/66/05/871256605.db2.gz IGXWFEPULUVNFT-MBSDFSHPSA-N 2 1 381.520 3.524 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1nc2ccc(Cl)cc2n1C ZINC000091311165 871272508 /nfs/dbraw/zinc/27/25/08/871272508.db2.gz CSMQUXHHQMTVGL-XHSDSOJGSA-N 2 1 378.948 3.767 20 0 GHADMP O=C1[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCN1c1c(F)cccc1F ZINC000447266794 871289666 /nfs/dbraw/zinc/28/96/66/871289666.db2.gz YEOYIXSBKUCMGJ-OAQYLSRUSA-N 2 1 399.485 3.846 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(CC2)Cc2ccccc2CN(CC(C)C)C3=O)CC1 ZINC001169253676 871351907 /nfs/dbraw/zinc/35/19/07/871351907.db2.gz GLEVKFKUIANRGE-UHFFFAOYSA-N 2 1 397.607 3.794 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(C[C@H](NC(=O)N(C)C)c4cc(C)ccc43)CC2)CC1 ZINC001169254696 871352833 /nfs/dbraw/zinc/35/28/33/871352833.db2.gz IFTLNSVUGYEETR-QFIPXVFZSA-N 2 1 398.595 3.529 20 0 GHADMP O=C(OC1CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1)c1ccccc1 ZINC001169280379 871362284 /nfs/dbraw/zinc/36/22/84/871362284.db2.gz PAKOKTRJSBZPMB-CYVVIHDOSA-N 2 1 390.527 3.875 20 0 GHADMP O=C(OC1CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1)c1ccccc1 ZINC001169280379 871362304 /nfs/dbraw/zinc/36/23/04/871362304.db2.gz PAKOKTRJSBZPMB-CYVVIHDOSA-N 2 1 390.527 3.875 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000447303965 871387334 /nfs/dbraw/zinc/38/73/34/871387334.db2.gz HGKBARDPPPCVHH-DEOSSOPVSA-N 2 1 392.547 3.707 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000447303965 871387354 /nfs/dbraw/zinc/38/73/54/871387354.db2.gz HGKBARDPPPCVHH-DEOSSOPVSA-N 2 1 392.547 3.707 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000447303965 871387375 /nfs/dbraw/zinc/38/73/75/871387375.db2.gz HGKBARDPPPCVHH-DEOSSOPVSA-N 2 1 392.547 3.707 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000539201613 871492527 /nfs/dbraw/zinc/49/25/27/871492527.db2.gz ASQVSHCBPOOWNG-MOPGFXCFSA-N 2 1 381.358 3.583 20 0 GHADMP Nc1cc[nH+]c2cc(N[C@@H]3C[C@@H](C(=O)OCc4ccccc4)CCC[NH2+]3)ccc12 ZINC001169523376 871598036 /nfs/dbraw/zinc/59/80/36/871598036.db2.gz VTMRXHLZXHQJET-HTAPYJJXSA-N 2 1 390.487 3.688 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(Br)c2)[C@@H](C)C1 ZINC001169554642 871633597 /nfs/dbraw/zinc/63/35/97/871633597.db2.gz LWRPWWBBTHYLOS-QFBILLFUSA-N 2 1 383.374 3.984 20 0 GHADMP Cc1cc(N2CCCc3ccc(C[NH3+])nc32)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001169585322 871678153 /nfs/dbraw/zinc/67/81/53/871678153.db2.gz XECVKWZGXVGRCA-UHFFFAOYSA-N 2 1 399.542 3.886 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001169647282 871712146 /nfs/dbraw/zinc/71/21/46/871712146.db2.gz ZKORCGRIGPMVQG-YUMYIRISSA-N 2 1 385.552 3.783 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)cc1 ZINC000539362441 871831219 /nfs/dbraw/zinc/83/12/19/871831219.db2.gz QRQDIXWCPCCMMQ-PGRDOPGGSA-N 2 1 379.504 3.888 20 0 GHADMP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169959839 872055621 /nfs/dbraw/zinc/05/56/21/872055621.db2.gz SAOAQORTAKUHPX-FQEVSTJZSA-N 2 1 378.944 3.922 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169959839 872055643 /nfs/dbraw/zinc/05/56/43/872055643.db2.gz SAOAQORTAKUHPX-FQEVSTJZSA-N 2 1 378.944 3.922 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C2)s1 ZINC000552135704 872079621 /nfs/dbraw/zinc/07/96/21/872079621.db2.gz VYYAUMNMPBXSRI-RXVVDRJESA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)s1 ZINC000552135704 872079641 /nfs/dbraw/zinc/07/96/41/872079641.db2.gz VYYAUMNMPBXSRI-RXVVDRJESA-N 2 1 389.609 3.744 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)s1 ZINC000552135704 872079662 /nfs/dbraw/zinc/07/96/62/872079662.db2.gz VYYAUMNMPBXSRI-RXVVDRJESA-N 2 1 389.609 3.744 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2cc(C[NH2+]C3CC[NH+](CC4CC4)CC3)ccc2C1 ZINC001168351440 882590639 /nfs/dbraw/zinc/59/06/39/882590639.db2.gz SMIRPQPFAGKXJD-UHFFFAOYSA-N 2 1 399.579 3.944 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3c4ccccc4C(C)(C)[C@@H]3C)CC2)CC1 ZINC000619019498 872255474 /nfs/dbraw/zinc/25/54/74/872255474.db2.gz POFKPDVWCJWSTM-SFHVURJKSA-N 2 1 383.580 3.896 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]CC3Cc4ccccc4C3)C3(C2)CCOCC3)cc1 ZINC000552363414 872522593 /nfs/dbraw/zinc/52/25/93/872522593.db2.gz QIFXHIQQNFLVSZ-RUZDIDTESA-N 2 1 390.571 3.920 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001195892673 872716953 /nfs/dbraw/zinc/71/69/53/872716953.db2.gz IWHUXIAWVUCBKH-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001195892673 872716961 /nfs/dbraw/zinc/71/69/61/872716961.db2.gz IWHUXIAWVUCBKH-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC001195892673 872716970 /nfs/dbraw/zinc/71/69/70/872716970.db2.gz IWHUXIAWVUCBKH-DEOSSOPVSA-N 2 1 397.607 3.932 20 0 GHADMP Cc1[nH+]ccn1CCCOC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000767626228 872719480 /nfs/dbraw/zinc/71/94/80/872719480.db2.gz COBMWVSYTBMGAW-SFHVURJKSA-N 2 1 385.508 3.692 20 0 GHADMP Cc1[nH+]ccn1CCCOC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000767626228 872719488 /nfs/dbraw/zinc/71/94/88/872719488.db2.gz COBMWVSYTBMGAW-SFHVURJKSA-N 2 1 385.508 3.692 20 0 GHADMP CC(C)(CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000478406624 872955668 /nfs/dbraw/zinc/95/56/68/872955668.db2.gz VQGKIUYUPPRJDU-FRIKZZABSA-N 2 1 398.595 3.603 20 0 GHADMP CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541150529 873030648 /nfs/dbraw/zinc/03/06/48/873030648.db2.gz QBAHJERWHYQGLS-ROUUACIJSA-N 2 1 398.954 3.596 20 0 GHADMP CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541150529 873030664 /nfs/dbraw/zinc/03/06/64/873030664.db2.gz QBAHJERWHYQGLS-ROUUACIJSA-N 2 1 398.954 3.596 20 0 GHADMP Cc1nccnc1[C@H](C)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000527360416 873080571 /nfs/dbraw/zinc/08/05/71/873080571.db2.gz UNCPCRLQUUXMHS-OTWHNJEPSA-N 2 1 382.552 3.645 20 0 GHADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000768104187 873082178 /nfs/dbraw/zinc/08/21/78/873082178.db2.gz XAKXHTBKCWFAJA-ISKFKSNPSA-N 2 1 380.532 3.689 20 0 GHADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCCO2 ZINC000768104187 873082188 /nfs/dbraw/zinc/08/21/88/873082188.db2.gz XAKXHTBKCWFAJA-ISKFKSNPSA-N 2 1 380.532 3.689 20 0 GHADMP CCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544468 873197584 /nfs/dbraw/zinc/19/75/84/873197584.db2.gz CZRAZJURAUVYQF-UHFFFAOYSA-N 3 1 380.665 3.814 20 0 GHADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000219863525 882704743 /nfs/dbraw/zinc/70/47/43/882704743.db2.gz PQAKHZCGIKQMRM-JTQLQIEISA-N 2 1 376.136 3.771 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527648114 873401611 /nfs/dbraw/zinc/40/16/11/873401611.db2.gz DSYLFLVSZKRNAL-LBPRGKRZSA-N 2 1 383.359 3.721 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000448471256 873437294 /nfs/dbraw/zinc/43/72/94/873437294.db2.gz CAJYXYZDCAPEGU-PMACEKPBSA-N 2 1 388.600 3.783 20 0 GHADMP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CC2 ZINC000541438878 873581621 /nfs/dbraw/zinc/58/16/21/873581621.db2.gz ISMOZNVDCZRCPW-IBGZPJMESA-N 2 1 384.568 3.580 20 0 GHADMP C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CC2 ZINC000541438878 873581630 /nfs/dbraw/zinc/58/16/30/873581630.db2.gz ISMOZNVDCZRCPW-IBGZPJMESA-N 2 1 384.568 3.580 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000541538219 873790789 /nfs/dbraw/zinc/79/07/89/873790789.db2.gz APMVDWHIFTVSGK-HSZRJFAPSA-N 2 1 375.520 3.672 20 0 GHADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000448768001 873910501 /nfs/dbraw/zinc/91/05/01/873910501.db2.gz PFSVVCHAXLHMOL-XMSQKQJNSA-N 2 1 389.503 3.565 20 0 GHADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000448768001 873910513 /nfs/dbraw/zinc/91/05/13/873910513.db2.gz PFSVVCHAXLHMOL-XMSQKQJNSA-N 2 1 389.503 3.565 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2=O)c1 ZINC000541599422 873917610 /nfs/dbraw/zinc/91/76/10/873917610.db2.gz LYIJYBGUBODDNV-OPYAIIAOSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)C2=O)c1 ZINC000541599422 873917614 /nfs/dbraw/zinc/91/76/14/873917614.db2.gz LYIJYBGUBODDNV-OPYAIIAOSA-N 2 1 387.543 3.872 20 0 GHADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603571 873966968 /nfs/dbraw/zinc/96/69/68/873966968.db2.gz QRMLODSBBYHHEQ-JQVVWYNYSA-N 2 1 388.596 3.966 20 0 GHADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000744414023 874017450 /nfs/dbraw/zinc/01/74/50/874017450.db2.gz CQMWCJVNGOOENM-UGKGYDQZSA-N 2 1 386.584 3.668 20 0 GHADMP COc1cccc2c(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cccc12 ZINC000449063129 874400498 /nfs/dbraw/zinc/40/04/98/874400498.db2.gz OAUCBXINNKUBHJ-UHFFFAOYSA-N 2 1 376.500 3.970 20 0 GHADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001198623907 874554151 /nfs/dbraw/zinc/55/41/51/874554151.db2.gz UOEVVNNYUDDSKI-SFHVURJKSA-N 2 1 376.545 3.549 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001198778535 874627140 /nfs/dbraw/zinc/62/71/40/874627140.db2.gz GNKTYBVMCHSHCQ-SFHVURJKSA-N 2 1 381.358 3.914 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2Cc3ccccc3C2)CC1 ZINC000449295985 874683996 /nfs/dbraw/zinc/68/39/96/874683996.db2.gz WQQQOVYMFSOSDK-UXHICEINSA-N 2 1 391.559 3.603 20 0 GHADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000449299742 874687077 /nfs/dbraw/zinc/68/70/77/874687077.db2.gz MVDOJBRILGKEAR-CVDCTZTESA-N 2 1 379.548 3.549 20 0 GHADMP C[C@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1cc(F)cc(F)c1 ZINC000449326745 874709170 /nfs/dbraw/zinc/70/91/70/874709170.db2.gz YUMDFBYURQOMCA-KZNAEPCWSA-N 2 1 396.522 3.659 20 0 GHADMP CC1(C)C[N@@H+](Cc2cc(C(N)=O)cs2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449414685 874809031 /nfs/dbraw/zinc/80/90/31/874809031.db2.gz MPJLKLXDNMRXNC-NRFANRHFSA-N 2 1 397.588 3.970 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC001199143103 874820451 /nfs/dbraw/zinc/82/04/51/874820451.db2.gz CJVZWNAAYLHPNP-RPWUZVMVSA-N 2 1 399.623 3.910 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC001199143103 874820466 /nfs/dbraw/zinc/82/04/66/874820466.db2.gz CJVZWNAAYLHPNP-RPWUZVMVSA-N 2 1 399.623 3.910 20 0 GHADMP CCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC001199190033 874844669 /nfs/dbraw/zinc/84/46/69/874844669.db2.gz REPFFUDQAGUVIR-QFIPXVFZSA-N 2 1 397.563 3.562 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC001199265633 874882431 /nfs/dbraw/zinc/88/24/31/874882431.db2.gz CMRYRMHJZZVEJA-SFHVURJKSA-N 2 1 386.561 3.612 20 0 GHADMP COc1cc(OC)c(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000449466324 874922071 /nfs/dbraw/zinc/92/20/71/874922071.db2.gz FUAJKMGVNIDWSX-SFHVURJKSA-N 2 1 398.547 3.898 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000528734319 874983009 /nfs/dbraw/zinc/98/30/09/874983009.db2.gz BCOKDNKGJCWWHC-RBZQAINGSA-N 2 1 397.607 3.725 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000528734319 874983021 /nfs/dbraw/zinc/98/30/21/874983021.db2.gz BCOKDNKGJCWWHC-RBZQAINGSA-N 2 1 397.607 3.725 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000528734319 874983033 /nfs/dbraw/zinc/98/30/33/874983033.db2.gz BCOKDNKGJCWWHC-RBZQAINGSA-N 2 1 397.607 3.725 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000465558830 882884201 /nfs/dbraw/zinc/88/42/01/882884201.db2.gz UMZPMPWVJHOFQK-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000449557647 875044745 /nfs/dbraw/zinc/04/47/45/875044745.db2.gz WAFMMYSVDUVSFU-IBGZPJMESA-N 2 1 375.520 3.530 20 0 GHADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000449657072 875190955 /nfs/dbraw/zinc/19/09/55/875190955.db2.gz NNNNODCJAJPVSK-YTFSRNRJSA-N 2 1 396.579 3.677 20 0 GHADMP CC(C)C[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)[NH2+][C@H](C)c1ccccc1 ZINC000449859809 875562192 /nfs/dbraw/zinc/56/21/92/875562192.db2.gz XELAZPWKQSDIED-WIYYLYMNSA-N 2 1 391.519 3.763 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCC(Cc3ccccc3)CC1)CC2 ZINC000465378422 875598039 /nfs/dbraw/zinc/59/80/39/875598039.db2.gz RQUNSLIPPJIUJX-HUVFLSCGSA-N 2 1 397.607 3.803 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001201409498 875688145 /nfs/dbraw/zinc/68/81/45/875688145.db2.gz VJJFCDDJEWITGN-RBUKOAKNSA-N 2 1 375.582 3.802 20 0 GHADMP C[NH+]1CCN(c2ccc(NC3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cn2)CC1 ZINC001201470009 875704209 /nfs/dbraw/zinc/70/42/09/875704209.db2.gz IOOGFCXUKGMEMH-PKTZIBPZSA-N 2 1 389.547 3.566 20 0 GHADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000303623846 875881035 /nfs/dbraw/zinc/88/10/35/875881035.db2.gz PTROUUOLWFPBKK-LJQANCHMSA-N 2 1 395.469 3.619 20 0 GHADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000772340975 875900736 /nfs/dbraw/zinc/90/07/36/875900736.db2.gz AFWHKLOEXJWPQW-TYPHKJRUSA-N 2 1 390.568 3.541 20 0 GHADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000772340975 875900753 /nfs/dbraw/zinc/90/07/53/875900753.db2.gz AFWHKLOEXJWPQW-TYPHKJRUSA-N 2 1 390.568 3.541 20 0 GHADMP CN1CCC([N@@H+](CC2CCCC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001202191168 876051770 /nfs/dbraw/zinc/05/17/70/876051770.db2.gz XJWKBRNRQLYAMR-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1F ZINC000173596154 876501118 /nfs/dbraw/zinc/50/11/18/876501118.db2.gz VXKHCEKDGGSBRX-SFHVURJKSA-N 2 1 386.515 3.925 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1F ZINC000173596154 876501127 /nfs/dbraw/zinc/50/11/27/876501127.db2.gz VXKHCEKDGGSBRX-SFHVURJKSA-N 2 1 386.515 3.925 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000858351555 883042891 /nfs/dbraw/zinc/04/28/91/883042891.db2.gz RCZRRZKYNPLGHG-NMLBUPMWSA-N 2 1 377.573 3.771 20 0 GHADMP Cc1ccc(CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2ccco2)cc1 ZINC000174041550 876794291 /nfs/dbraw/zinc/79/42/91/876794291.db2.gz SXUWEFPBXRJDRQ-UHFFFAOYSA-N 2 1 397.563 3.622 20 0 GHADMP Cc1ccc(CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2ccco2)cc1 ZINC000174041550 876794296 /nfs/dbraw/zinc/79/42/96/876794296.db2.gz SXUWEFPBXRJDRQ-UHFFFAOYSA-N 2 1 397.563 3.622 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)cc2oc1=O ZINC000850402573 876883215 /nfs/dbraw/zinc/88/32/15/876883215.db2.gz OBBJRCXJUYINDP-FQEVSTJZSA-N 2 1 391.515 3.523 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850414490 876895116 /nfs/dbraw/zinc/89/51/16/876895116.db2.gz PCWDXUVASZSAPI-SIKLNZKXSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850414490 876895120 /nfs/dbraw/zinc/89/51/20/876895120.db2.gz PCWDXUVASZSAPI-SIKLNZKXSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836911 876956482 /nfs/dbraw/zinc/95/64/82/876956482.db2.gz QENPMKJOXDCVDA-DXIQSLLYSA-N 2 1 392.547 3.920 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836911 876956488 /nfs/dbraw/zinc/95/64/88/876956488.db2.gz QENPMKJOXDCVDA-DXIQSLLYSA-N 2 1 392.547 3.920 20 0 GHADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000134870953 883082194 /nfs/dbraw/zinc/08/21/94/883082194.db2.gz XXEPGTRXPPBRKI-BEFAXECRSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000134870953 883082208 /nfs/dbraw/zinc/08/22/08/883082208.db2.gz XXEPGTRXPPBRKI-BEFAXECRSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000134870953 883082222 /nfs/dbraw/zinc/08/22/22/883082222.db2.gz XXEPGTRXPPBRKI-BEFAXECRSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000134870953 883082227 /nfs/dbraw/zinc/08/22/27/883082227.db2.gz XXEPGTRXPPBRKI-BEFAXECRSA-N 2 1 395.469 3.983 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000109370544 876999915 /nfs/dbraw/zinc/99/99/15/876999915.db2.gz LPGPRJWJAADPHV-HSZRJFAPSA-N 2 1 383.580 3.812 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2)CC1 ZINC000537670822 883086226 /nfs/dbraw/zinc/08/62/26/883086226.db2.gz RUWNDRCQKRONFR-GMAHTHKFSA-N 2 1 398.595 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1 ZINC000787009072 877079456 /nfs/dbraw/zinc/07/94/56/877079456.db2.gz HCCIMFGSDOZYEC-GTQRCTGISA-N 2 1 379.460 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902815 883099826 /nfs/dbraw/zinc/09/98/26/883099826.db2.gz XQKNHWGZHFKIGW-DKSSEZFCSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902815 883099838 /nfs/dbraw/zinc/09/98/38/883099838.db2.gz XQKNHWGZHFKIGW-DKSSEZFCSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902815 883099848 /nfs/dbraw/zinc/09/98/48/883099848.db2.gz XQKNHWGZHFKIGW-DKSSEZFCSA-N 2 1 399.362 3.682 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000174690477 877178654 /nfs/dbraw/zinc/17/86/54/877178654.db2.gz UJYAVUKLFHBYKN-MJGOQNOKSA-N 2 1 392.613 3.695 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)CC1 ZINC000564349917 877209184 /nfs/dbraw/zinc/20/91/84/877209184.db2.gz OJMMQIRJFXAXBW-HSZRJFAPSA-N 2 1 399.529 3.809 20 0 GHADMP O[C@H](COc1ccc(F)cc1)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475749863 883108692 /nfs/dbraw/zinc/10/86/92/883108692.db2.gz RPHBLBRNEDGUMC-UPVQGACJSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475749863 883108701 /nfs/dbraw/zinc/10/87/01/883108701.db2.gz RPHBLBRNEDGUMC-UPVQGACJSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475749863 883108711 /nfs/dbraw/zinc/10/87/11/883108711.db2.gz RPHBLBRNEDGUMC-UPVQGACJSA-N 2 1 398.522 3.554 20 0 GHADMP C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000174782184 877244321 /nfs/dbraw/zinc/24/43/21/877244321.db2.gz LJIVSTODZDOIDQ-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1)c1ccccc1 ZINC000174891666 877313044 /nfs/dbraw/zinc/31/30/44/877313044.db2.gz JLIGQRSDIBUITL-DYXWJJEUSA-N 2 1 386.584 3.774 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1Cl ZINC000642619066 912219895 /nfs/dbraw/zinc/21/98/95/912219895.db2.gz CRIFNVNZUYVSCP-UXHICEINSA-N 2 1 388.943 3.545 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2C(F)(F)F)[C@H](C)C1 ZINC000787305090 877331423 /nfs/dbraw/zinc/33/14/23/877331423.db2.gz QQCHRVUOWQWCQU-HIFRSBDPSA-N 2 1 393.881 3.980 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2C(F)(F)F)[C@H](C)C1 ZINC000787305090 877331432 /nfs/dbraw/zinc/33/14/32/877331432.db2.gz QQCHRVUOWQWCQU-HIFRSBDPSA-N 2 1 393.881 3.980 20 0 GHADMP Clc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000530239139 877345629 /nfs/dbraw/zinc/34/56/29/877345629.db2.gz DHQBEFBTTSTSHQ-MRXNPFEDSA-N 2 1 387.749 3.693 20 0 GHADMP Fc1cccc(F)c1-c1csc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000530242994 877353312 /nfs/dbraw/zinc/35/33/12/877353312.db2.gz WDSCOHVTOYFFSA-HNNXBMFYSA-N 2 1 393.503 3.679 20 0 GHADMP c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000642630845 912229829 /nfs/dbraw/zinc/22/98/29/912229829.db2.gz NJHGWEVVGPZCHZ-DHIUTWEWSA-N 2 1 387.531 3.710 20 0 GHADMP c1c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000642630845 912229844 /nfs/dbraw/zinc/22/98/44/912229844.db2.gz NJHGWEVVGPZCHZ-DHIUTWEWSA-N 2 1 387.531 3.710 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000477313303 877410866 /nfs/dbraw/zinc/41/08/66/877410866.db2.gz BVEQPJZFTNDBED-UXHICEINSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCc1cccs1 ZINC000615315451 877632144 /nfs/dbraw/zinc/63/21/44/877632144.db2.gz DXEADZDWDJDFNR-ROUUACIJSA-N 2 1 385.577 3.917 20 0 GHADMP c1nn([C@@H]2CC[N@H+](C[C@@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701417 877669227 /nfs/dbraw/zinc/66/92/27/877669227.db2.gz AIQSJHSIZGUSDD-PKTZIBPZSA-N 2 1 390.531 3.574 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000615614251 877920606 /nfs/dbraw/zinc/92/06/06/877920606.db2.gz GITMTLVZDYQJQI-UHFFFAOYSA-N 2 1 392.632 3.937 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC000788244658 877945331 /nfs/dbraw/zinc/94/53/31/877945331.db2.gz HZDDALTVDXWZLZ-RTBURBONSA-N 2 1 399.539 3.891 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000245590010 878160986 /nfs/dbraw/zinc/16/09/86/878160986.db2.gz AXLRYSXTGFZLPS-QWFCFKBJSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000245590010 878160996 /nfs/dbraw/zinc/16/09/96/878160996.db2.gz AXLRYSXTGFZLPS-QWFCFKBJSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000245590010 878161001 /nfs/dbraw/zinc/16/10/01/878161001.db2.gz AXLRYSXTGFZLPS-QWFCFKBJSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C[C@H](C)O1 ZINC000788645268 878204618 /nfs/dbraw/zinc/20/46/18/878204618.db2.gz OJQGBYXXLUWPQA-YSTOQKLRSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852301183 878213902 /nfs/dbraw/zinc/21/39/02/878213902.db2.gz OGUCVIJHMSQDHG-HXUWFJFHSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852301183 878213920 /nfs/dbraw/zinc/21/39/20/878213920.db2.gz OGUCVIJHMSQDHG-HXUWFJFHSA-N 2 1 390.572 3.941 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000176367108 878230666 /nfs/dbraw/zinc/23/06/66/878230666.db2.gz IYZGJUCCQNJQLZ-NOTZXAQLSA-N 2 1 398.595 3.733 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000285539432 912330096 /nfs/dbraw/zinc/33/00/96/912330096.db2.gz CBWWESQNRMQANC-ZLHNRXBCSA-N 3 1 385.596 3.520 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000285539432 912330123 /nfs/dbraw/zinc/33/01/23/912330123.db2.gz CBWWESQNRMQANC-ZLHNRXBCSA-N 2 1 385.596 3.520 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000285539432 912330144 /nfs/dbraw/zinc/33/01/44/912330144.db2.gz CBWWESQNRMQANC-ZLHNRXBCSA-N 2 1 385.596 3.520 20 0 GHADMP COc1ccc(COCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245661994 878315161 /nfs/dbraw/zinc/31/51/61/878315161.db2.gz FVHYHFGUMSTOMP-NUNAXRQHSA-N 2 1 380.532 3.997 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000245736519 878501866 /nfs/dbraw/zinc/50/18/66/878501866.db2.gz QXYRPEPSESSFSE-MZADTFQBSA-N 2 1 394.515 3.767 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1OC ZINC000245736519 878501880 /nfs/dbraw/zinc/50/18/80/878501880.db2.gz QXYRPEPSESSFSE-MZADTFQBSA-N 2 1 394.515 3.767 20 0 GHADMP CC(C)C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245753363 878545321 /nfs/dbraw/zinc/54/53/21/878545321.db2.gz ULKIRFQAIRODSU-UEQSERJNSA-N 2 1 385.596 3.519 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@@H](C)C1 ZINC000537943529 878559564 /nfs/dbraw/zinc/55/95/64/878559564.db2.gz QOFAETZXIMYCKE-FIKGOQFSSA-N 2 1 397.966 3.784 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245774907 878576484 /nfs/dbraw/zinc/57/64/84/878576484.db2.gz XYBJWOJVGXQCQF-NLTKNRQVSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245774907 878576492 /nfs/dbraw/zinc/57/64/92/878576492.db2.gz XYBJWOJVGXQCQF-NLTKNRQVSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000245774907 878576500 /nfs/dbraw/zinc/57/65/00/878576500.db2.gz XYBJWOJVGXQCQF-NLTKNRQVSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@H](C)O1 ZINC000245774907 878576509 /nfs/dbraw/zinc/57/65/09/878576509.db2.gz XYBJWOJVGXQCQF-NLTKNRQVSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@H](C)O1 ZINC000245774907 878576516 /nfs/dbraw/zinc/57/65/16/878576516.db2.gz XYBJWOJVGXQCQF-NLTKNRQVSA-N 2 1 385.596 3.661 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@@H](C)C1 ZINC000245810606 878620756 /nfs/dbraw/zinc/62/07/56/878620756.db2.gz ZGSMWFUOJKSBON-RXVVDRJESA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@@H](C)C1 ZINC000245810606 878620769 /nfs/dbraw/zinc/62/07/69/878620769.db2.gz ZGSMWFUOJKSBON-RXVVDRJESA-N 2 1 383.536 3.831 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)[C@@H](C)C1 ZINC000245810606 878620783 /nfs/dbraw/zinc/62/07/83/878620783.db2.gz ZGSMWFUOJKSBON-RXVVDRJESA-N 2 1 383.536 3.831 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000451896026 878653760 /nfs/dbraw/zinc/65/37/60/878653760.db2.gz FRZFLETXKAPDQG-DNQXCXABSA-N 2 1 384.564 3.692 20 0 GHADMP C[C@H]1c2ccccc2CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000530902180 878717036 /nfs/dbraw/zinc/71/70/36/878717036.db2.gz NFGDEXQIEBBLRT-IBGZPJMESA-N 2 1 377.532 3.518 20 0 GHADMP C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000530902180 878717052 /nfs/dbraw/zinc/71/70/52/878717052.db2.gz NFGDEXQIEBBLRT-IBGZPJMESA-N 2 1 377.532 3.518 20 0 GHADMP Cc1ccc([C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C2CC2)cc1 ZINC000246031710 878877691 /nfs/dbraw/zinc/87/76/91/878877691.db2.gz MOBAVFQAJMZLGS-DNQXCXABSA-N 2 1 391.559 3.933 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177968636 878932162 /nfs/dbraw/zinc/93/21/62/878932162.db2.gz KLRGSJCGVMNSDR-OAQYLSRUSA-N 3 1 395.591 3.985 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094733 878964575 /nfs/dbraw/zinc/96/45/75/878964575.db2.gz IVZWZICTCHWKIH-OFVILXPXSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094733 878964587 /nfs/dbraw/zinc/96/45/87/878964587.db2.gz IVZWZICTCHWKIH-OFVILXPXSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094733 878964595 /nfs/dbraw/zinc/96/45/95/878964595.db2.gz IVZWZICTCHWKIH-OFVILXPXSA-N 3 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094733 878964603 /nfs/dbraw/zinc/96/46/03/878964603.db2.gz IVZWZICTCHWKIH-OFVILXPXSA-N 2 1 396.623 3.666 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094733 878964617 /nfs/dbraw/zinc/96/46/17/878964617.db2.gz IVZWZICTCHWKIH-OFVILXPXSA-N 2 1 396.623 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000246133251 879033808 /nfs/dbraw/zinc/03/38/08/879033808.db2.gz JAKRRYWGTMEJMM-GGPKGHCWSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246133251 879033819 /nfs/dbraw/zinc/03/38/19/879033819.db2.gz JAKRRYWGTMEJMM-GGPKGHCWSA-N 2 1 392.613 3.695 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246133251 879033836 /nfs/dbraw/zinc/03/38/36/879033836.db2.gz JAKRRYWGTMEJMM-GGPKGHCWSA-N 2 1 392.613 3.695 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000246139908 879042799 /nfs/dbraw/zinc/04/27/99/879042799.db2.gz JLBZDAVYVHZHEG-KSEOMHKRSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000178606746 879157359 /nfs/dbraw/zinc/15/73/59/879157359.db2.gz VVIRIJSGCOZUAB-XZOQPEGZSA-N 2 1 383.580 3.620 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000531154046 879213966 /nfs/dbraw/zinc/21/39/66/879213966.db2.gz VZVUCELXUVIXTA-PXNSSMCTSA-N 2 1 377.960 3.714 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000531139947 879221460 /nfs/dbraw/zinc/22/14/60/879221460.db2.gz JSSSWEYUTGLEBG-BPUTZDHNSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000531139947 879221471 /nfs/dbraw/zinc/22/14/71/879221471.db2.gz JSSSWEYUTGLEBG-BPUTZDHNSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000531139947 879221486 /nfs/dbraw/zinc/22/14/86/879221486.db2.gz JSSSWEYUTGLEBG-BPUTZDHNSA-N 2 1 375.340 3.538 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)c2cc1C ZINC000246320786 879387058 /nfs/dbraw/zinc/38/70/58/879387058.db2.gz GZLIJSUBBUVHKE-YPAWHYETSA-N 2 1 398.595 3.600 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)c2cc1C ZINC000246320786 879387073 /nfs/dbraw/zinc/38/70/73/879387073.db2.gz GZLIJSUBBUVHKE-YPAWHYETSA-N 2 1 398.595 3.600 20 0 GHADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H](C[NH+]4CCCC[C@H]4C)C3)c2cc1C ZINC000246320786 879387092 /nfs/dbraw/zinc/38/70/92/879387092.db2.gz GZLIJSUBBUVHKE-YPAWHYETSA-N 2 1 398.595 3.600 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2OC)[C@@H](C)C1 ZINC000246452737 879575343 /nfs/dbraw/zinc/57/53/43/879575343.db2.gz PJFSMFLMLFEAAS-YJBOKZPZSA-N 2 1 399.373 3.684 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Br)c2OC)[C@@H](C)C1 ZINC000246452737 879575357 /nfs/dbraw/zinc/57/53/57/879575357.db2.gz PJFSMFLMLFEAAS-YJBOKZPZSA-N 2 1 399.373 3.684 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000246584711 879701465 /nfs/dbraw/zinc/70/14/65/879701465.db2.gz NTHBXAREDQFXJA-OXQOHEQNSA-N 2 1 385.939 3.888 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000531381789 879745891 /nfs/dbraw/zinc/74/58/91/879745891.db2.gz KXQHRHOGXAINKA-SFHVURJKSA-N 2 1 382.976 3.928 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000531381789 879745901 /nfs/dbraw/zinc/74/59/01/879745901.db2.gz KXQHRHOGXAINKA-SFHVURJKSA-N 2 1 382.976 3.928 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000246720706 879775301 /nfs/dbraw/zinc/77/53/01/879775301.db2.gz VAPDYGWEDJROQL-UNWVZKJWSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000246720706 879775307 /nfs/dbraw/zinc/77/53/07/879775307.db2.gz VAPDYGWEDJROQL-UNWVZKJWSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000246720706 879775315 /nfs/dbraw/zinc/77/53/15/879775315.db2.gz VAPDYGWEDJROQL-UNWVZKJWSA-N 2 1 398.595 3.555 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000461423116 879780605 /nfs/dbraw/zinc/78/06/05/879780605.db2.gz DPMTXPQWZFUKPF-SGNDLWITSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000461423116 879780607 /nfs/dbraw/zinc/78/06/07/879780607.db2.gz DPMTXPQWZFUKPF-SGNDLWITSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000461423116 879780611 /nfs/dbraw/zinc/78/06/11/879780611.db2.gz DPMTXPQWZFUKPF-SGNDLWITSA-N 2 1 391.559 3.660 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](C)C1 ZINC000538588043 879799182 /nfs/dbraw/zinc/79/91/82/879799182.db2.gz LMNXWLAEXRQNTK-SIKLNZKXSA-N 2 1 391.625 3.784 20 0 GHADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461443476 879826385 /nfs/dbraw/zinc/82/63/85/879826385.db2.gz AOYTWBCXZSQJIL-PKTZIBPZSA-N 2 1 385.596 3.869 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)cc1 ZINC000247049918 879900480 /nfs/dbraw/zinc/90/04/80/879900480.db2.gz NFGVNHPNRZDAOD-ZWKOTPCHSA-N 2 1 391.519 3.652 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000247207928 879942777 /nfs/dbraw/zinc/94/27/77/879942777.db2.gz WTTIHJHVHRSXBA-SELNLUPBSA-N 2 1 379.548 3.743 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)cc1 ZINC000247207928 879942785 /nfs/dbraw/zinc/94/27/85/879942785.db2.gz WTTIHJHVHRSXBA-SELNLUPBSA-N 2 1 379.548 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000247414446 879993485 /nfs/dbraw/zinc/99/34/85/879993485.db2.gz NMCKITQUHIGULF-AUSIDOKSSA-N 2 1 379.548 3.731 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000247414446 879993495 /nfs/dbraw/zinc/99/34/95/879993495.db2.gz NMCKITQUHIGULF-AUSIDOKSSA-N 2 1 379.548 3.731 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000247414446 879993505 /nfs/dbraw/zinc/99/35/05/879993505.db2.gz NMCKITQUHIGULF-AUSIDOKSSA-N 2 1 379.548 3.731 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182729021 880018899 /nfs/dbraw/zinc/01/88/99/880018899.db2.gz VSPDXQWMNLIPPO-NPDDRXJXSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182729021 880018908 /nfs/dbraw/zinc/01/89/08/880018908.db2.gz VSPDXQWMNLIPPO-NPDDRXJXSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182729021 880018921 /nfs/dbraw/zinc/01/89/21/880018921.db2.gz VSPDXQWMNLIPPO-NPDDRXJXSA-N 2 1 398.595 3.602 20 0 GHADMP Cc1cnc2c(N(CC[NH3+])c3cc(C)cn4cc[nH+]c34)nc3ccc(C)cc3n12 ZINC001170151234 880295740 /nfs/dbraw/zinc/29/57/40/880295740.db2.gz YUGJVVZUIJJJCZ-UHFFFAOYSA-N 2 1 385.475 3.552 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000453224955 880646307 /nfs/dbraw/zinc/64/63/07/880646307.db2.gz CFUQCRWCYULMJK-YLJYHZDGSA-N 2 1 390.959 3.752 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H](C)C1 ZINC000453224955 880646315 /nfs/dbraw/zinc/64/63/15/880646315.db2.gz CFUQCRWCYULMJK-YLJYHZDGSA-N 2 1 390.959 3.752 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453348716 880820822 /nfs/dbraw/zinc/82/08/22/880820822.db2.gz LGDIMJPDLGCCRZ-BPIHKTFHSA-N 2 1 376.566 3.679 20 0 GHADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453348716 880820828 /nfs/dbraw/zinc/82/08/28/880820828.db2.gz LGDIMJPDLGCCRZ-BPIHKTFHSA-N 2 1 376.566 3.679 20 0 GHADMP Cc1cc(C)c(N2CC[C@H](N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)C2=O)c(C)c1 ZINC000249030534 912624979 /nfs/dbraw/zinc/62/49/79/912624979.db2.gz FFLRGAAPXDYMAO-NNWRFLSQSA-N 2 1 381.564 3.666 20 0 GHADMP CN(c1ccccc1CNCCC[N@@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000532107806 881162112 /nfs/dbraw/zinc/16/21/12/881162112.db2.gz HOHJHJWMHGBTQJ-UHFFFAOYSA-N 2 1 386.628 3.961 20 0 GHADMP CN(c1ccccc1C[NH2+]CCC[N@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000532107806 881162115 /nfs/dbraw/zinc/16/21/15/881162115.db2.gz HOHJHJWMHGBTQJ-UHFFFAOYSA-N 3 1 386.628 3.961 20 0 GHADMP CN(c1ccccc1C[NH2+]CCC[N@@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000532107806 881162131 /nfs/dbraw/zinc/16/21/31/881162131.db2.gz HOHJHJWMHGBTQJ-UHFFFAOYSA-N 3 1 386.628 3.961 20 0 GHADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]ccc3cc(-c4ccc(F)cc4)[nH]c32)O1 ZINC001170271938 881288634 /nfs/dbraw/zinc/28/86/34/881288634.db2.gz FWNCSYUYPLAJJX-DBXWQHBBSA-N 2 1 384.455 3.506 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001170281916 881334836 /nfs/dbraw/zinc/33/48/36/881334836.db2.gz HKRZSNOPLRQIAC-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001170281916 881334856 /nfs/dbraw/zinc/33/48/56/881334856.db2.gz HKRZSNOPLRQIAC-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001170281916 881334877 /nfs/dbraw/zinc/33/48/77/881334877.db2.gz HKRZSNOPLRQIAC-QTGUNEKASA-N 2 1 399.966 3.889 20 0 GHADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000134942447 883127744 /nfs/dbraw/zinc/12/77/44/883127744.db2.gz ACZYNNPJGCMGQR-AUUYWEPGSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000134942447 883127748 /nfs/dbraw/zinc/12/77/48/883127748.db2.gz ACZYNNPJGCMGQR-AUUYWEPGSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000134942447 883127753 /nfs/dbraw/zinc/12/77/53/883127753.db2.gz ACZYNNPJGCMGQR-AUUYWEPGSA-N 2 1 379.907 3.756 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Cl)cc1F ZINC000134942447 883127757 /nfs/dbraw/zinc/12/77/57/883127757.db2.gz ACZYNNPJGCMGQR-AUUYWEPGSA-N 2 1 379.907 3.756 20 0 GHADMP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000134943307 883127881 /nfs/dbraw/zinc/12/78/81/883127881.db2.gz FKSPHYGCWYSKBJ-HXUWFJFHSA-N 2 1 391.559 3.556 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000760525206 883150750 /nfs/dbraw/zinc/15/07/50/883150750.db2.gz BSUDWTOYIXWTOP-QFIPXVFZSA-N 2 1 395.547 3.552 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000760525206 883150758 /nfs/dbraw/zinc/15/07/58/883150758.db2.gz BSUDWTOYIXWTOP-QFIPXVFZSA-N 2 1 395.547 3.552 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000476799571 883183479 /nfs/dbraw/zinc/18/34/79/883183479.db2.gz AEQDKHJSCSTWQS-SIKLNZKXSA-N 2 1 386.584 3.909 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000551051977 883218917 /nfs/dbraw/zinc/21/89/17/883218917.db2.gz WMKHMSVCDDCOBH-PQVVKJAFSA-N 2 1 393.575 3.701 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000551051977 883218933 /nfs/dbraw/zinc/21/89/33/883218933.db2.gz WMKHMSVCDDCOBH-PQVVKJAFSA-N 2 1 393.575 3.701 20 0 GHADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001236321405 883250505 /nfs/dbraw/zinc/25/05/05/883250505.db2.gz JNQXDJHHFHTYRW-TXEJJXNPSA-N 2 1 388.147 3.643 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COCc2ccccc2F)CC1 ZINC000476983291 883500385 /nfs/dbraw/zinc/50/03/85/883500385.db2.gz KSURCKOAMONVST-KNQAVFIVSA-N 2 1 392.559 3.680 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476975248 883511216 /nfs/dbraw/zinc/51/12/16/883511216.db2.gz QGIJBFNBNSHIQY-OALUTQOASA-N 2 1 389.559 3.807 20 0 GHADMP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476984787 883539356 /nfs/dbraw/zinc/53/93/56/883539356.db2.gz MVKPCMSZNWAPNE-OALUTQOASA-N 2 1 391.625 3.772 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000186463613 883647956 /nfs/dbraw/zinc/64/79/56/883647956.db2.gz RFRKKYWVEGQKMI-VCBZYWHSSA-N 2 1 397.485 3.628 20 0 GHADMP Cc1ccccc1SC[C@H](C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000859217457 883672521 /nfs/dbraw/zinc/67/25/21/883672521.db2.gz DRBKEBBAKHJOTJ-NRSPTQNISA-N 2 1 375.626 3.681 20 0 GHADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182699202 883816596 /nfs/dbraw/zinc/81/65/96/883816596.db2.gz JGKUKJCJLHJVDI-CTNGQTDRSA-N 2 1 392.632 3.697 20 0 GHADMP Cc1c(F)cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1F ZINC001211911605 883827318 /nfs/dbraw/zinc/82/73/18/883827318.db2.gz RPSLPJNKIBBNDT-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Cc1c(F)cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1F ZINC001211911605 883827332 /nfs/dbraw/zinc/82/73/32/883827332.db2.gz RPSLPJNKIBBNDT-KRWDZBQOSA-N 2 1 396.441 3.512 20 0 GHADMP Fc1cc(-c2noc([C@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1Cl ZINC001211911943 883987652 /nfs/dbraw/zinc/98/76/52/883987652.db2.gz VQVXTXUFQMHBRF-MRXNPFEDSA-N 2 1 398.869 3.718 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC([N@@H+](C)Cc4ccccc4)C3)ccc21 ZINC000455857594 883989802 /nfs/dbraw/zinc/98/98/02/883989802.db2.gz OUNNJXRFXWHNQN-JOCHJYFZSA-N 2 1 378.520 3.584 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000130026536 884077140 /nfs/dbraw/zinc/07/71/40/884077140.db2.gz UGWUINDBBYFCKB-QUCCMNQESA-N 2 1 397.567 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000130026536 884077159 /nfs/dbraw/zinc/07/71/59/884077159.db2.gz UGWUINDBBYFCKB-QUCCMNQESA-N 2 1 397.567 3.909 20 0 GHADMP C[NH+](C)CCOC1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000476205363 884248080 /nfs/dbraw/zinc/24/80/80/884248080.db2.gz ZZNCHVSWPPJLIQ-UHFFFAOYSA-N 2 1 378.314 3.544 20 0 GHADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1(C)C ZINC000262811347 884812834 /nfs/dbraw/zinc/81/28/34/884812834.db2.gz VFUBNUQZKUMPGJ-PGRDOPGGSA-N 2 1 384.524 3.526 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000498598883 884985987 /nfs/dbraw/zinc/98/59/87/884985987.db2.gz UDRAKZZUTGXAKQ-OAQYLSRUSA-N 2 1 381.520 3.832 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000130685041 885002275 /nfs/dbraw/zinc/00/22/75/885002275.db2.gz WSERTIPWGVVDCO-CYBMUJFWSA-N 2 1 383.323 3.698 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000130685041 885002290 /nfs/dbraw/zinc/00/22/90/885002290.db2.gz WSERTIPWGVVDCO-CYBMUJFWSA-N 2 1 383.323 3.698 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000763433413 885101157 /nfs/dbraw/zinc/10/11/57/885101157.db2.gz RHSIVWINFWDUSS-AVRDEDQJSA-N 2 1 390.568 3.714 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107831436 885496816 /nfs/dbraw/zinc/49/68/16/885496816.db2.gz BPAYXDRAQGXHNO-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000550621466 885514829 /nfs/dbraw/zinc/51/48/29/885514829.db2.gz MFCFYJYUEIUZMY-GZGNHOFSSA-N 2 1 392.591 3.622 20 0 GHADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC000550621466 885514846 /nfs/dbraw/zinc/51/48/46/885514846.db2.gz MFCFYJYUEIUZMY-GZGNHOFSSA-N 2 1 392.591 3.622 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000623426192 885549265 /nfs/dbraw/zinc/54/92/65/885549265.db2.gz DEVALNIJOHWLLH-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623426192 885549282 /nfs/dbraw/zinc/54/92/82/885549282.db2.gz DEVALNIJOHWLLH-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623426192 885549296 /nfs/dbraw/zinc/54/92/96/885549296.db2.gz DEVALNIJOHWLLH-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP COc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1Cl ZINC000556585012 885562982 /nfs/dbraw/zinc/56/29/82/885562982.db2.gz DLRAWMPSGJORBU-CVEARBPZSA-N 2 1 389.927 3.815 20 0 GHADMP COc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1Cl ZINC000556585012 885562988 /nfs/dbraw/zinc/56/29/88/885562988.db2.gz DLRAWMPSGJORBU-CVEARBPZSA-N 2 1 389.927 3.815 20 0 GHADMP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495421049 885752414 /nfs/dbraw/zinc/75/24/14/885752414.db2.gz NLQZSRBBHAAZIJ-DPLHUUCSSA-N 2 1 393.575 3.624 20 0 GHADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC001184044434 912982742 /nfs/dbraw/zinc/98/27/42/912982742.db2.gz AAPLAMLGZGQBIZ-HNAYVOBHSA-N 2 1 381.358 3.786 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000808388832 886319218 /nfs/dbraw/zinc/31/92/18/886319218.db2.gz AZPIABPBCMPRIM-RDTXWAMCSA-N 2 1 399.348 3.752 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000118942197 886353735 /nfs/dbraw/zinc/35/37/35/886353735.db2.gz IXNVBWKZBWHOJT-SIKLNZKXSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000118942197 886353753 /nfs/dbraw/zinc/35/37/53/886353753.db2.gz IXNVBWKZBWHOJT-SIKLNZKXSA-N 2 1 388.600 3.790 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000118942197 886353770 /nfs/dbraw/zinc/35/37/70/886353770.db2.gz IXNVBWKZBWHOJT-SIKLNZKXSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000119135480 886486629 /nfs/dbraw/zinc/48/66/29/886486629.db2.gz DBWZCHDSTIZLKI-IBGZPJMESA-N 2 1 392.632 3.935 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)C1 ZINC000119536794 886711766 /nfs/dbraw/zinc/71/17/66/886711766.db2.gz AANCDIQOXJZHCM-UNMCSNQZSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000119536794 886711776 /nfs/dbraw/zinc/71/17/76/886711776.db2.gz AANCDIQOXJZHCM-UNMCSNQZSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000119536794 886711790 /nfs/dbraw/zinc/71/17/90/886711790.db2.gz AANCDIQOXJZHCM-UNMCSNQZSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000125178260 886835111 /nfs/dbraw/zinc/83/51/11/886835111.db2.gz HAEHQKXRCTWRHO-ZWKOTPCHSA-N 2 1 376.508 3.539 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000237164963 886916781 /nfs/dbraw/zinc/91/67/81/886916781.db2.gz OXKAGACMTNAJHU-UHFFFAOYSA-N 2 1 375.944 3.963 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000193677008 887239101 /nfs/dbraw/zinc/23/91/01/887239101.db2.gz IKIRMFBDHTUAOE-IBGZPJMESA-N 2 1 398.595 3.592 20 0 GHADMP CC(C)(C)OC(=O)N(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000809594871 887603380 /nfs/dbraw/zinc/60/33/80/887603380.db2.gz BVTDBXFDMQVKIM-IEBWSBKVSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(C)(C)C ZINC000809594871 887603386 /nfs/dbraw/zinc/60/33/86/887603386.db2.gz BVTDBXFDMQVKIM-IEBWSBKVSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(C)(C)C ZINC000809594871 887603390 /nfs/dbraw/zinc/60/33/90/887603390.db2.gz BVTDBXFDMQVKIM-IEBWSBKVSA-N 2 1 379.589 3.971 20 0 GHADMP CC(C)(C)OC(=O)N(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000809594871 887603397 /nfs/dbraw/zinc/60/33/97/887603397.db2.gz BVTDBXFDMQVKIM-IEBWSBKVSA-N 2 1 379.589 3.971 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000132072361 887605075 /nfs/dbraw/zinc/60/50/75/887605075.db2.gz UMOZWXHYZDZYPQ-WMZHIEFXSA-N 2 1 379.548 3.873 20 0 GHADMP C[C@H](Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000809656461 887663175 /nfs/dbraw/zinc/66/31/75/887663175.db2.gz CXRLSNDKZUIMNK-NMNUPHIUSA-N 2 1 395.547 3.773 20 0 GHADMP C[C@H](Nc1cccc2c1OCC[C@H]2[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000809656461 887663182 /nfs/dbraw/zinc/66/31/82/887663182.db2.gz CXRLSNDKZUIMNK-NMNUPHIUSA-N 2 1 395.547 3.773 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000810086879 888141993 /nfs/dbraw/zinc/14/19/93/888141993.db2.gz NUPRPUSCFNLBCQ-LJQANCHMSA-N 2 1 376.545 3.551 20 0 GHADMP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC(F)F ZINC000865398402 888323770 /nfs/dbraw/zinc/32/37/70/888323770.db2.gz VAEQFWLPRLUEOI-SFHVURJKSA-N 2 1 397.510 3.789 20 0 GHADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001170601263 888349821 /nfs/dbraw/zinc/34/98/21/888349821.db2.gz YHIXGNLCSIFIME-DNVJHFABSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCCC[C@@H](CC)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001170601263 888349835 /nfs/dbraw/zinc/34/98/35/888349835.db2.gz YHIXGNLCSIFIME-DNVJHFABSA-N 2 1 379.633 3.996 20 0 GHADMP CCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001170601263 888349851 /nfs/dbraw/zinc/34/98/51/888349851.db2.gz YHIXGNLCSIFIME-DNVJHFABSA-N 2 1 379.633 3.996 20 0 GHADMP CCOc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(Cl)c1O ZINC000459376917 888381444 /nfs/dbraw/zinc/38/14/44/888381444.db2.gz OGOATHYXKGIIOO-UHFFFAOYSA-N 2 1 382.932 3.521 20 0 GHADMP CCC[N@H+](CC(=O)c1cc(C)n(C)c1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532711340 888446740 /nfs/dbraw/zinc/44/67/40/888446740.db2.gz LQWZSCPORPNFTJ-UHFFFAOYSA-N 2 1 397.567 3.612 20 0 GHADMP CCC[N@@H+](CC(=O)c1cc(C)n(C)c1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532711340 888446743 /nfs/dbraw/zinc/44/67/43/888446743.db2.gz LQWZSCPORPNFTJ-UHFFFAOYSA-N 2 1 397.567 3.612 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1noc2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC000865760837 888557962 /nfs/dbraw/zinc/55/79/62/888557962.db2.gz PRMJWKIVQXTXOZ-UHFFFAOYSA-N 2 1 382.483 3.787 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459383604 888715024 /nfs/dbraw/zinc/71/50/24/888715024.db2.gz GLTASRCOHCANHQ-QGZVFWFLSA-N 2 1 378.524 3.991 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1I ZINC000537968119 888816051 /nfs/dbraw/zinc/81/60/51/888816051.db2.gz RCIPJWRKHSNJPG-STQMWFEESA-N 2 1 383.277 3.783 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2c(ccnc2Cl)o1 ZINC000866335562 888836441 /nfs/dbraw/zinc/83/64/41/888836441.db2.gz BLXKADCIFARPFF-PBHICJAKSA-N 2 1 385.895 3.899 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000532793795 889001941 /nfs/dbraw/zinc/00/19/41/889001941.db2.gz OBUQURKOBPCNMS-XLIONFOSSA-N 2 1 392.975 3.508 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000287385504 913304242 /nfs/dbraw/zinc/30/42/42/913304242.db2.gz ILUUMLWLJOSICI-JLLPCOHGSA-N 2 1 383.580 3.525 20 0 GHADMP c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000532921932 889337321 /nfs/dbraw/zinc/33/73/21/889337321.db2.gz VADWOCBIYNVHJV-VXKWHMMOSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@@H+]1C ZINC000123631295 889351922 /nfs/dbraw/zinc/35/19/22/889351922.db2.gz YYYFZGNDHMALES-AQNXPRMDSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000123631295 889351936 /nfs/dbraw/zinc/35/19/36/889351936.db2.gz YYYFZGNDHMALES-AQNXPRMDSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[NH+]1C ZINC000123631295 889351946 /nfs/dbraw/zinc/35/19/46/889351946.db2.gz YYYFZGNDHMALES-AQNXPRMDSA-N 2 1 384.520 3.633 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[NH+]1C ZINC000123631295 889351953 /nfs/dbraw/zinc/35/19/53/889351953.db2.gz YYYFZGNDHMALES-AQNXPRMDSA-N 2 1 384.520 3.633 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)ccc1Cl ZINC000533008518 889512838 /nfs/dbraw/zinc/51/28/38/889512838.db2.gz NMXSQXFTHMRCFF-QGZVFWFLSA-N 2 1 386.927 3.647 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1Cl ZINC000533008518 889512850 /nfs/dbraw/zinc/51/28/50/889512850.db2.gz NMXSQXFTHMRCFF-QGZVFWFLSA-N 2 1 386.927 3.647 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000122228098 889523414 /nfs/dbraw/zinc/52/34/14/889523414.db2.gz WHRBXUKVPGCYJL-UHFFFAOYSA-N 2 1 386.536 3.672 20 0 GHADMP Fc1cccnc1N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245735049 889562322 /nfs/dbraw/zinc/56/23/22/889562322.db2.gz QSCYNZHRTUJXHF-NCYKPQTJSA-N 2 1 380.511 3.585 20 0 GHADMP Cc1[nH+]ccn1CCCN1CCCN(CCCn2cc[nH+]c2C)c2ccccc21 ZINC000125228497 889916667 /nfs/dbraw/zinc/91/66/67/889916667.db2.gz WVAWFBINMCBWQU-UHFFFAOYSA-N 2 1 392.551 3.894 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(N2CCOC2=O)c1 ZINC000122756339 890062643 /nfs/dbraw/zinc/06/26/43/890062643.db2.gz PDNSNFSWHPZYPO-SFHVURJKSA-N 2 1 379.504 3.742 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(N2CCOC2=O)c1 ZINC000122756339 890062658 /nfs/dbraw/zinc/06/26/58/890062658.db2.gz PDNSNFSWHPZYPO-SFHVURJKSA-N 2 1 379.504 3.742 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000870123056 890222669 /nfs/dbraw/zinc/22/26/69/890222669.db2.gz BWABVUFOYZNZJW-HXUWFJFHSA-N 2 1 392.547 3.512 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000533409483 890483619 /nfs/dbraw/zinc/48/36/19/890483619.db2.gz ZQHPKAJQAAXTMX-UHFFFAOYSA-N 2 1 387.597 3.705 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000533409483 890483624 /nfs/dbraw/zinc/48/36/24/890483624.db2.gz ZQHPKAJQAAXTMX-UHFFFAOYSA-N 2 1 387.597 3.705 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2C[C@H](c3cccc(Cl)c3)CC2=O)CC1 ZINC000812283894 890501006 /nfs/dbraw/zinc/50/10/06/890501006.db2.gz QDRVWHIGJOMATO-LJQANCHMSA-N 2 1 377.960 3.666 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)o1 ZINC000644810102 913508033 /nfs/dbraw/zinc/50/80/33/913508033.db2.gz KEBJNIQYHTWALB-UHFFFAOYSA-N 2 1 390.553 3.987 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000127448883 891065034 /nfs/dbraw/zinc/06/50/34/891065034.db2.gz VKBROHYVFZJTIN-SFHVURJKSA-N 2 1 397.544 3.836 20 0 GHADMP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000872036901 891128751 /nfs/dbraw/zinc/12/87/51/891128751.db2.gz WOWAMUAUGVPWIT-ROUUACIJSA-N 2 1 385.474 3.595 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cs1 ZINC000872037021 891129147 /nfs/dbraw/zinc/12/91/47/891129147.db2.gz ZHTHKPVEWVHBCL-GOSISDBHSA-N 2 1 377.598 3.999 20 0 GHADMP C[N@@H+](CCCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)C1CC1 ZINC000872075465 891141704 /nfs/dbraw/zinc/14/17/04/891141704.db2.gz AVJUOLCBFNEFKX-QFBILLFUSA-N 2 1 381.358 3.991 20 0 GHADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156648 891185492 /nfs/dbraw/zinc/18/54/92/891185492.db2.gz KVZCDIFNMGONHP-ZIFCJYIRSA-N 2 1 378.561 3.923 20 0 GHADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156648 891185496 /nfs/dbraw/zinc/18/54/96/891185496.db2.gz KVZCDIFNMGONHP-ZIFCJYIRSA-N 2 1 378.561 3.923 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246485146 891274921 /nfs/dbraw/zinc/27/49/21/891274921.db2.gz DKBZSGJRJHYWME-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C[NH+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246485146 891274938 /nfs/dbraw/zinc/27/49/38/891274938.db2.gz DKBZSGJRJHYWME-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(C[NH+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246485146 891274954 /nfs/dbraw/zinc/27/49/54/891274954.db2.gz DKBZSGJRJHYWME-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000247011222 891332281 /nfs/dbraw/zinc/33/22/81/891332281.db2.gz PRXZJCCENJJRGE-RTBURBONSA-N 2 1 378.605 3.545 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170698512 891343768 /nfs/dbraw/zinc/34/37/68/891343768.db2.gz PRHLCPHWQUCYGQ-ZWKOTPCHSA-N 2 1 378.507 3.834 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000128010859 891361382 /nfs/dbraw/zinc/36/13/82/891361382.db2.gz QURCWTQBFJIYNK-CTNGQTDRSA-N 2 1 395.547 3.504 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1OCc1ccccc1 ZINC000128010859 891361391 /nfs/dbraw/zinc/36/13/91/891361391.db2.gz QURCWTQBFJIYNK-CTNGQTDRSA-N 2 1 395.547 3.504 20 0 GHADMP c1sc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1-c1ccncc1 ZINC000873283256 891560366 /nfs/dbraw/zinc/56/03/66/891560366.db2.gz PMAHNTAMKZFYMV-UWJYYQICSA-N 2 1 378.501 3.551 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000116561622 891596440 /nfs/dbraw/zinc/59/64/40/891596440.db2.gz QLQUBZVGNSQUHW-RXVVDRJESA-N 2 1 384.568 3.528 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+](C2CCC2)C1 ZINC000813610004 891810955 /nfs/dbraw/zinc/81/09/55/891810955.db2.gz IMBHIFHEDFZTQH-IBGZPJMESA-N 2 1 390.616 3.547 20 0 GHADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000813861323 892032344 /nfs/dbraw/zinc/03/23/44/892032344.db2.gz QTXHKCFCHSBCPP-YHYVQYDKSA-N 2 1 376.516 3.526 20 0 GHADMP CCO[C@H]1C[C@@]([NH3+])(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1(C)C ZINC000261774950 892108500 /nfs/dbraw/zinc/10/85/00/892108500.db2.gz NIUJGABNYITLEF-PGRDOPGGSA-N 2 1 384.524 3.712 20 0 GHADMP Brc1ccc(-c2ncc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000261938844 892170433 /nfs/dbraw/zinc/17/04/33/892170433.db2.gz DMSSWOMIDQGCDZ-QGZVFWFLSA-N 2 1 378.339 3.758 20 0 GHADMP Brc1ccc(-c2ncc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)s2)cc1 ZINC000261938844 892170435 /nfs/dbraw/zinc/17/04/35/892170435.db2.gz DMSSWOMIDQGCDZ-QGZVFWFLSA-N 2 1 378.339 3.758 20 0 GHADMP C[N@H+]1CC[C@H](c2ccc(N[C@H]3CC[C@H]([NH+]4CCN(CC5CC5)CC4)CC3)cc2)C1 ZINC001170719634 892178601 /nfs/dbraw/zinc/17/86/01/892178601.db2.gz WHLQAMVGHQXREA-HVCNVCAESA-N 2 1 396.623 3.856 20 0 GHADMP C[N@@H+]1CC[C@H](c2ccc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)cc2)C1 ZINC001170719634 892178610 /nfs/dbraw/zinc/17/86/10/892178610.db2.gz WHLQAMVGHQXREA-HVCNVCAESA-N 2 1 396.623 3.856 20 0 GHADMP C[N@H+]1CC[C@H](c2ccc(N[C@H]3CC[C@H](N4CC[NH+](CC5CC5)CC4)CC3)cc2)C1 ZINC001170719634 892178617 /nfs/dbraw/zinc/17/86/17/892178617.db2.gz WHLQAMVGHQXREA-HVCNVCAESA-N 2 1 396.623 3.856 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC[N@@H+](Cc4cccnc4)C3)CC1)C2 ZINC001168275119 892433199 /nfs/dbraw/zinc/43/31/99/892433199.db2.gz WVPMNCBEWUXSSI-QFIPXVFZSA-N 2 1 377.532 3.546 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497817999 892495749 /nfs/dbraw/zinc/49/57/49/892495749.db2.gz RLGWUWXVQLTIJA-XMMPIXPASA-N 2 1 392.547 3.925 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508696799 892658218 /nfs/dbraw/zinc/65/82/18/892658218.db2.gz KSKIAHZQUQYMIG-SXLOBPIMSA-N 2 1 384.955 3.814 20 0 GHADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936164 892776647 /nfs/dbraw/zinc/77/66/47/892776647.db2.gz RFPHSRGPWFBWSB-CGTJXYLNSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936164 892776656 /nfs/dbraw/zinc/77/66/56/892776656.db2.gz RFPHSRGPWFBWSB-CGTJXYLNSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000497936164 892776659 /nfs/dbraw/zinc/77/66/59/892776659.db2.gz RFPHSRGPWFBWSB-CGTJXYLNSA-N 2 1 399.501 3.532 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000455620187 892805217 /nfs/dbraw/zinc/80/52/17/892805217.db2.gz SGINPAPQQLLILM-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000455620187 892805235 /nfs/dbraw/zinc/80/52/35/892805235.db2.gz SGINPAPQQLLILM-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000455620187 892805255 /nfs/dbraw/zinc/80/52/55/892805255.db2.gz SGINPAPQQLLILM-FYYLOGMGSA-N 2 1 398.595 3.557 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711602 892817673 /nfs/dbraw/zinc/81/76/73/892817673.db2.gz OTOZLQSQLBPKTG-SCDRESIJSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711602 892817693 /nfs/dbraw/zinc/81/76/93/892817693.db2.gz OTOZLQSQLBPKTG-SCDRESIJSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711602 892817715 /nfs/dbraw/zinc/81/77/15/892817715.db2.gz OTOZLQSQLBPKTG-SCDRESIJSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711602 892817741 /nfs/dbraw/zinc/81/77/41/892817741.db2.gz OTOZLQSQLBPKTG-SCDRESIJSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711602 892817761 /nfs/dbraw/zinc/81/77/61/892817761.db2.gz OTOZLQSQLBPKTG-SCDRESIJSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711602 892817775 /nfs/dbraw/zinc/81/77/75/892817775.db2.gz OTOZLQSQLBPKTG-SCDRESIJSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000508711602 892817796 /nfs/dbraw/zinc/81/77/96/892817796.db2.gz OTOZLQSQLBPKTG-SCDRESIJSA-N 3 1 387.612 3.624 20 0 GHADMP C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715732 892865749 /nfs/dbraw/zinc/86/57/49/892865749.db2.gz XMECKOVPUAWEAE-SJLPKXTDSA-N 2 1 393.453 3.979 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753374 892942807 /nfs/dbraw/zinc/94/28/07/892942807.db2.gz PCNCHUJSZIHLBZ-YUMYIRISSA-N 2 1 383.580 3.819 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753398 892943891 /nfs/dbraw/zinc/94/38/91/892943891.db2.gz PLHJNQQDZUJUFV-CADBVGFASA-N 2 1 389.609 3.881 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000162651522 892952255 /nfs/dbraw/zinc/95/22/55/892952255.db2.gz YLAYRBDAQXFRRL-UHFFFAOYSA-N 2 1 385.596 3.869 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674195 893050686 /nfs/dbraw/zinc/05/06/86/893050686.db2.gz OBUSUCRNCFERHQ-MOPGFXCFSA-N 2 1 376.545 3.551 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674195 893050707 /nfs/dbraw/zinc/05/07/07/893050707.db2.gz OBUSUCRNCFERHQ-MOPGFXCFSA-N 2 1 376.545 3.551 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000876906616 893380838 /nfs/dbraw/zinc/38/08/38/893380838.db2.gz DFEXZAALPOTQKA-KNQAVFIVSA-N 2 1 399.560 3.516 20 0 GHADMP CS(=O)(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000876906616 893380860 /nfs/dbraw/zinc/38/08/60/893380860.db2.gz DFEXZAALPOTQKA-KNQAVFIVSA-N 2 1 399.560 3.516 20 0 GHADMP CC1(C)CN([C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccc(Cl)cc2)CCO1 ZINC000459411018 893473020 /nfs/dbraw/zinc/47/30/20/893473020.db2.gz PXGOUFJBVDLEKO-NRFANRHFSA-N 2 1 391.987 3.708 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CC1 ZINC000536720796 893657773 /nfs/dbraw/zinc/65/77/73/893657773.db2.gz HOJZEZQHSAGGJT-YADHBBJMSA-N 2 1 384.568 3.661 20 0 GHADMP CC1(C)C[N@H+](Cc2cn3cccnc3n2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459574594 893845195 /nfs/dbraw/zinc/84/51/95/893845195.db2.gz SXNPSVMWSVMOHD-JOCHJYFZSA-N 2 1 389.547 3.852 20 0 GHADMP CC1(C)C[N@@H+](Cc2cn3cccnc3n2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459574594 893845213 /nfs/dbraw/zinc/84/52/13/893845213.db2.gz SXNPSVMWSVMOHD-JOCHJYFZSA-N 2 1 389.547 3.852 20 0 GHADMP O=C(CC1CCCCC1)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563535167 893875281 /nfs/dbraw/zinc/87/52/81/893875281.db2.gz OYIRCVIXHPUPHW-JOCHJYFZSA-N 2 1 383.580 3.860 20 0 GHADMP O=C(CC1CCCCC1)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563535167 893875299 /nfs/dbraw/zinc/87/52/99/893875299.db2.gz OYIRCVIXHPUPHW-JOCHJYFZSA-N 2 1 383.580 3.860 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000536843197 893918104 /nfs/dbraw/zinc/91/81/04/893918104.db2.gz DNKYMHBSUNLNJG-DYXWJJEUSA-N 2 1 377.548 3.521 20 0 GHADMP C[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459693063 894081995 /nfs/dbraw/zinc/08/19/95/894081995.db2.gz KJVBMCFBAQVYCC-ZWVMGRIOSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459693063 894082012 /nfs/dbraw/zinc/08/20/12/894082012.db2.gz KJVBMCFBAQVYCC-ZWVMGRIOSA-N 2 1 386.561 3.821 20 0 GHADMP C[C@@H]([NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459693063 894082027 /nfs/dbraw/zinc/08/20/27/894082027.db2.gz KJVBMCFBAQVYCC-ZWVMGRIOSA-N 2 1 386.561 3.821 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196628 894083791 /nfs/dbraw/zinc/08/37/91/894083791.db2.gz HHPFNJDDUZGJSZ-DNVJHFABSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196628 894083808 /nfs/dbraw/zinc/08/38/08/894083808.db2.gz HHPFNJDDUZGJSZ-DNVJHFABSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CCC5(CCOCC5)O4)CC[C@H]32)cc1 ZINC000878196628 894083828 /nfs/dbraw/zinc/08/38/28/894083828.db2.gz HHPFNJDDUZGJSZ-DNVJHFABSA-N 2 1 384.564 3.701 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000459744001 894166811 /nfs/dbraw/zinc/16/68/11/894166811.db2.gz XKUGFDXEQWOIRA-CQSZACIVSA-N 2 1 377.330 3.661 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000459745848 894170259 /nfs/dbraw/zinc/17/02/59/894170259.db2.gz YNUNQPCRPZPZJU-LBPRGKRZSA-N 2 1 377.273 3.872 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563886201 894296623 /nfs/dbraw/zinc/29/66/23/894296623.db2.gz OXDZIZHSJFIKCV-UXHICEINSA-N 2 1 380.511 3.586 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563886201 894296638 /nfs/dbraw/zinc/29/66/38/894296638.db2.gz OXDZIZHSJFIKCV-UXHICEINSA-N 2 1 380.511 3.586 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C[C@H]1c1ccccc1 ZINC000645395107 913874376 /nfs/dbraw/zinc/87/43/76/913874376.db2.gz CRHCMKRJEIMBBO-RPWUZVMVSA-N 2 1 387.527 3.822 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C[C@H]1c1ccccc1 ZINC000645395107 913874390 /nfs/dbraw/zinc/87/43/90/913874390.db2.gz CRHCMKRJEIMBBO-RPWUZVMVSA-N 2 1 387.527 3.822 20 0 GHADMP Clc1cc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247367 894653130 /nfs/dbraw/zinc/65/31/30/894653130.db2.gz CHVXIKURINZAOP-YLJYHZDGSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247367 894653135 /nfs/dbraw/zinc/65/31/35/894653135.db2.gz CHVXIKURINZAOP-YLJYHZDGSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247367 894653142 /nfs/dbraw/zinc/65/31/42/894653142.db2.gz CHVXIKURINZAOP-YLJYHZDGSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247367 894653152 /nfs/dbraw/zinc/65/31/52/894653152.db2.gz CHVXIKURINZAOP-YLJYHZDGSA-N 2 1 390.955 3.993 20 0 GHADMP Cn1c2ccc(CNc3ccc([NH+]4CCC(C[NH+](C)C)CC4)cc3)cc2oc1=O ZINC000816527610 894928241 /nfs/dbraw/zinc/92/82/41/894928241.db2.gz QPQOEZYEHIWVMG-UHFFFAOYSA-N 2 1 394.519 3.522 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000325473800 895028344 /nfs/dbraw/zinc/02/83/44/895028344.db2.gz GKVOUBRBZRJAGX-CVEARBPZSA-N 2 1 397.357 3.963 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000325473800 895028362 /nfs/dbraw/zinc/02/83/62/895028362.db2.gz GKVOUBRBZRJAGX-CVEARBPZSA-N 2 1 397.357 3.963 20 0 GHADMP C[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000645493392 913933217 /nfs/dbraw/zinc/93/32/17/913933217.db2.gz ZLKVNDJBJQZFMZ-OFNKIYASSA-N 2 1 386.580 3.710 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000564619169 895127602 /nfs/dbraw/zinc/12/76/02/895127602.db2.gz PXPDFTXTLPXLDT-PKTZIBPZSA-N 2 1 383.580 3.752 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675678 895174158 /nfs/dbraw/zinc/17/41/58/895174158.db2.gz CKAJTIXOYUVFDH-PXNSSMCTSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675678 895174164 /nfs/dbraw/zinc/17/41/64/895174164.db2.gz CKAJTIXOYUVFDH-PXNSSMCTSA-N 2 1 394.991 3.752 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1 ZINC000564675678 895174169 /nfs/dbraw/zinc/17/41/69/895174169.db2.gz CKAJTIXOYUVFDH-PXNSSMCTSA-N 2 1 394.991 3.752 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000564959929 895327724 /nfs/dbraw/zinc/32/77/24/895327724.db2.gz QPQRPMWOAAKLNT-LJQANCHMSA-N 2 1 397.950 3.857 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1Cl ZINC000564959929 895327738 /nfs/dbraw/zinc/32/77/38/895327738.db2.gz QPQRPMWOAAKLNT-LJQANCHMSA-N 2 1 397.950 3.857 20 0 GHADMP CC[NH2+]CC1CC[NH+](CC(=O)c2cc(C)n(CCc3cccs3)c2C)CC1 ZINC000564989333 895340284 /nfs/dbraw/zinc/34/02/84/895340284.db2.gz IZEKGERUTDTSAX-UHFFFAOYSA-N 2 1 387.593 3.913 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000564989193 895341180 /nfs/dbraw/zinc/34/11/80/895341180.db2.gz TWGKWMYVISQRHN-STQMWFEESA-N 2 1 389.849 3.619 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccc(C)s3)C(C)C)CC2)CC1 ZINC000565181534 895445369 /nfs/dbraw/zinc/44/53/69/895445369.db2.gz OUWNPHMCEWWVPJ-UHFFFAOYSA-N 2 1 391.625 3.990 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](c4ccccc4C)C[C@@H]3C)CC2)CC1 ZINC000565187789 895448453 /nfs/dbraw/zinc/44/84/53/895448453.db2.gz ISSRKKLQUFYPNB-UNMCSNQZSA-N 2 1 397.607 3.896 20 0 GHADMP CCc1ccc([C@H]2CCN(C(=O)C3CC[NH+](C4CC[NH+](CC)CC4)CC3)C2)cc1 ZINC000565202336 895458109 /nfs/dbraw/zinc/45/81/09/895458109.db2.gz AFCDLOHZPWJFNS-QHCPKHFHSA-N 2 1 397.607 3.761 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000880276270 895608643 /nfs/dbraw/zinc/60/86/43/895608643.db2.gz FROMFEXXRPTSPY-JOCHJYFZSA-N 2 1 395.595 3.672 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000566109879 896115439 /nfs/dbraw/zinc/11/54/39/896115439.db2.gz DOXYMWLNLAHKJQ-OXQOHEQNSA-N 2 1 387.474 3.936 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000566109879 896115443 /nfs/dbraw/zinc/11/54/43/896115443.db2.gz DOXYMWLNLAHKJQ-OXQOHEQNSA-N 2 1 387.474 3.936 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170902269 896160433 /nfs/dbraw/zinc/16/04/33/896160433.db2.gz QCZMGDFXLGHYIJ-MRXNPFEDSA-N 2 1 393.959 3.515 20 0 GHADMP [NH3+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000566210944 896173400 /nfs/dbraw/zinc/17/34/00/896173400.db2.gz AJOBVRMNUFMLDA-IFMALSPDSA-N 2 1 383.511 3.634 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000566242385 896195234 /nfs/dbraw/zinc/19/52/34/896195234.db2.gz OKZDCJBPOYMJBC-CYBMUJFWSA-N 2 1 389.849 3.619 20 0 GHADMP [NH3+]Cc1cccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000818605440 896234009 /nfs/dbraw/zinc/23/40/09/896234009.db2.gz DCCCFMXHILPORC-UHFFFAOYSA-N 2 1 392.330 3.847 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(Cl)nc4)CC3)C2)cc1 ZINC001137165312 896309979 /nfs/dbraw/zinc/30/99/79/896309979.db2.gz FUPNBHYUJJHFBH-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CCc1ccc(C(C)(C)CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000566443287 896316248 /nfs/dbraw/zinc/31/62/48/896316248.db2.gz ZQVBIFRSQGFBRK-UHFFFAOYSA-N 2 1 399.623 3.839 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000567120999 896890911 /nfs/dbraw/zinc/89/09/11/896890911.db2.gz VVUPKCDMNGIXOU-NQIIRXRSSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000567120999 896890931 /nfs/dbraw/zinc/89/09/31/896890931.db2.gz VVUPKCDMNGIXOU-NQIIRXRSSA-N 2 1 385.939 3.581 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000567213728 896973730 /nfs/dbraw/zinc/97/37/30/896973730.db2.gz ACGAYQQJGMTAMD-XZOQPEGZSA-N 2 1 382.548 3.627 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC001136319111 897240236 /nfs/dbraw/zinc/24/02/36/897240236.db2.gz CJHIJZUKTLAVSH-PKTZIBPZSA-N 2 1 397.538 3.908 20 0 GHADMP [NH3+][C@H](CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CC1CCCCC1 ZINC000567801958 897408245 /nfs/dbraw/zinc/40/82/45/897408245.db2.gz HVRILLDPBAIMDZ-XZOQPEGZSA-N 2 1 385.596 3.745 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)cc1 ZINC000883285329 897445757 /nfs/dbraw/zinc/44/57/57/897445757.db2.gz MEEOLZXQNWSYLY-INIZCTEOSA-N 2 1 375.476 3.561 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809136 897537924 /nfs/dbraw/zinc/53/79/24/897537924.db2.gz UVBJMBFUMIXLOM-VQTJNVASSA-N 3 1 381.564 3.820 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(C[NH+](C)C)c1 ZINC000820809136 897537938 /nfs/dbraw/zinc/53/79/38/897537938.db2.gz UVBJMBFUMIXLOM-VQTJNVASSA-N 3 1 381.564 3.820 20 0 GHADMP CCN(CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000568804071 898114420 /nfs/dbraw/zinc/11/44/20/898114420.db2.gz DGDHVNILZFQDLD-UXHICEINSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000568804071 898114427 /nfs/dbraw/zinc/11/44/27/898114427.db2.gz DGDHVNILZFQDLD-UXHICEINSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000568804071 898114436 /nfs/dbraw/zinc/11/44/36/898114436.db2.gz DGDHVNILZFQDLD-UXHICEINSA-N 2 1 383.502 3.715 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000568933093 898221664 /nfs/dbraw/zinc/22/16/64/898221664.db2.gz DWDLGAHRRWIBSV-UHFFFAOYSA-N 2 1 376.298 3.752 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000568933093 898221679 /nfs/dbraw/zinc/22/16/79/898221679.db2.gz DWDLGAHRRWIBSV-UHFFFAOYSA-N 2 1 376.298 3.752 20 0 GHADMP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4C[C@@H]5CCCC[C@@H]5[NH2+]4)n3)cc2F)CC1 ZINC000822950883 898748506 /nfs/dbraw/zinc/74/85/06/898748506.db2.gz FARKEQPKWLXROV-SNRMKQJTSA-N 2 1 399.514 3.611 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)CC(C)C ZINC001136649164 898751921 /nfs/dbraw/zinc/75/19/21/898751921.db2.gz LJFVQVOKYLZWEL-GOSISDBHSA-N 2 1 384.568 3.642 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)CC(C)C ZINC001136649164 898751933 /nfs/dbraw/zinc/75/19/33/898751933.db2.gz LJFVQVOKYLZWEL-GOSISDBHSA-N 2 1 384.568 3.642 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCC1CCOCC1)CC2 ZINC001202637974 898767190 /nfs/dbraw/zinc/76/71/90/898767190.db2.gz RTXUJCLWGDJTFJ-LJQANCHMSA-N 2 1 378.582 3.620 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000823609569 899131302 /nfs/dbraw/zinc/13/13/02/899131302.db2.gz ZQRMHOWNWQRRGX-FQEVSTJZSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823961379 899316355 /nfs/dbraw/zinc/31/63/55/899316355.db2.gz RCSXNYGUPZOAPV-ZGDJDIHISA-N 2 1 399.579 3.744 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045867 899392602 /nfs/dbraw/zinc/39/26/02/899392602.db2.gz SFIPBRINIKLTQX-MIZPHKNDSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045867 899392615 /nfs/dbraw/zinc/39/26/15/899392615.db2.gz SFIPBRINIKLTQX-MIZPHKNDSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCc3c(Cl)cccc3C1)C2 ZINC001171045867 899392628 /nfs/dbraw/zinc/39/26/28/899392628.db2.gz SFIPBRINIKLTQX-MIZPHKNDSA-N 2 1 388.983 3.878 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570570943 899398422 /nfs/dbraw/zinc/39/84/22/899398422.db2.gz UMXFUNAMYHWGNH-KURKYZTESA-N 2 1 390.597 3.519 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000570592525 899418353 /nfs/dbraw/zinc/41/83/53/899418353.db2.gz ONNNPCKHNWGRRD-INIZCTEOSA-N 2 1 380.458 3.631 20 0 GHADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000824617092 899723034 /nfs/dbraw/zinc/72/30/34/899723034.db2.gz CABUDNQJDQKOBU-UFRUDQCGSA-N 2 1 397.523 3.630 20 0 GHADMP CC(C)n1ncc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c(Cl)nc21 ZINC000134193617 899730344 /nfs/dbraw/zinc/73/03/44/899730344.db2.gz WWTHZUCPALHDPZ-UHFFFAOYSA-N 2 1 375.948 3.973 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC001137043674 900196730 /nfs/dbraw/zinc/19/67/30/900196730.db2.gz BGGKTFFMVWOJMF-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137043674 900196736 /nfs/dbraw/zinc/19/67/36/900196736.db2.gz BGGKTFFMVWOJMF-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137043674 900196743 /nfs/dbraw/zinc/19/67/43/900196743.db2.gz BGGKTFFMVWOJMF-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572518604 900213612 /nfs/dbraw/zinc/21/36/12/900213612.db2.gz YIYYEEFLMIBJDI-RPQWFQIESA-N 2 1 395.950 3.756 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572518604 900213621 /nfs/dbraw/zinc/21/36/21/900213621.db2.gz YIYYEEFLMIBJDI-RPQWFQIESA-N 2 1 395.950 3.756 20 0 GHADMP Cc1cc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC000572688102 900250232 /nfs/dbraw/zinc/25/02/32/900250232.db2.gz BBMIVNGQAULXCD-UHFFFAOYSA-N 2 1 392.547 3.906 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)cc2)C1 ZINC000885923696 900639307 /nfs/dbraw/zinc/63/93/07/900639307.db2.gz ARLZONHUFQZHRA-ZRCGQRJVSA-N 2 1 386.580 3.982 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)CC1 ZINC001186310785 914462685 /nfs/dbraw/zinc/46/26/85/914462685.db2.gz AGHSHBPSISCPPO-XMMPIXPASA-N 2 1 391.559 3.556 20 0 GHADMP CC[NH+]1CCC(N(C)C(=O)[C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)CC1 ZINC001186310785 914462690 /nfs/dbraw/zinc/46/26/90/914462690.db2.gz AGHSHBPSISCPPO-XMMPIXPASA-N 2 1 391.559 3.556 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844630 900662103 /nfs/dbraw/zinc/66/21/03/900662103.db2.gz APGNDPHRAQDKFY-ABAIWWIYSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844630 900662109 /nfs/dbraw/zinc/66/21/09/900662109.db2.gz APGNDPHRAQDKFY-ABAIWWIYSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844630 900662115 /nfs/dbraw/zinc/66/21/15/900662115.db2.gz APGNDPHRAQDKFY-ABAIWWIYSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844630 900662124 /nfs/dbraw/zinc/66/21/24/900662124.db2.gz APGNDPHRAQDKFY-ABAIWWIYSA-N 2 1 390.163 3.984 20 0 GHADMP Cc1cnc([C@@H](C)[NH+](C)[C@H]2CC[C@H]([N@H+](C)[C@H](C)c3cnc(C)cn3)CC2)cn1 ZINC000886389398 900975326 /nfs/dbraw/zinc/97/53/26/900975326.db2.gz IBXGGGUKQUAIMF-UAFMIMERSA-N 2 1 382.556 3.880 20 0 GHADMP CC(C)(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000575120002 901124858 /nfs/dbraw/zinc/12/48/58/901124858.db2.gz GOFLSRITEMCPKY-XLIONFOSSA-N 2 1 385.577 3.803 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc(NC(N)=O)cc1 ZINC000886526827 901125030 /nfs/dbraw/zinc/12/50/30/901125030.db2.gz SXKZGKPRLATFBQ-DBXVSBKESA-N 2 1 378.520 3.881 20 0 GHADMP COC(=O)c1cncc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000886532042 901135522 /nfs/dbraw/zinc/13/55/22/901135522.db2.gz CDRKHQMSJCETAC-QGZVFWFLSA-N 2 1 393.487 3.944 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886532225 901135690 /nfs/dbraw/zinc/13/56/90/901135690.db2.gz GFTUJZRKODPPNN-XWGVYQGASA-N 2 1 391.559 3.574 20 0 GHADMP C[S@@](=O)Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cc1 ZINC000886609464 901189184 /nfs/dbraw/zinc/18/91/84/901189184.db2.gz USTWBASFFZXRBV-RNLGNXJRSA-N 2 1 382.573 3.708 20 0 GHADMP Cc1[nH]c(C2CC[NH+]([C@@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)[nH+]c1C ZINC000886660939 901212231 /nfs/dbraw/zinc/21/22/31/901212231.db2.gz IPKPSTPCYXBFIS-OXJNMPFZSA-N 2 1 384.499 3.707 20 0 GHADMP Fc1ccc2n[nH]c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)c2c1 ZINC001144196490 901236904 /nfs/dbraw/zinc/23/69/04/901236904.db2.gz JHJJXZVYBUDJGF-UHFFFAOYSA-N 2 1 394.494 3.569 20 0 GHADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000075324996 901248380 /nfs/dbraw/zinc/24/83/80/901248380.db2.gz VKHDSLRJHDRZLY-QFIPXVFZSA-N 2 1 379.548 3.732 20 0 GHADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886827705 901290170 /nfs/dbraw/zinc/29/01/70/901290170.db2.gz QCBVXZHUVVSFKW-ZJZGAYNASA-N 2 1 384.564 3.688 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3ccc(Cl)cc3)CC2)CC1 ZINC000576119684 901694491 /nfs/dbraw/zinc/69/44/91/901694491.db2.gz OOENLUVCOAGQRN-UHFFFAOYSA-N 2 1 391.987 3.888 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccc(Br)s3)no1)CC[NH2+]CC2 ZINC000333364200 902037228 /nfs/dbraw/zinc/03/72/28/902037228.db2.gz DJWKGAUQINKTNS-NSHDSACASA-N 2 1 397.342 3.525 20 0 GHADMP CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000576675287 902180985 /nfs/dbraw/zinc/18/09/85/902180985.db2.gz NLMXLSWSYSWNCT-CVDCTZTESA-N 2 1 394.563 3.634 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000577008298 902425495 /nfs/dbraw/zinc/42/54/95/902425495.db2.gz DWYNDVOVMREKKF-NRFANRHFSA-N 2 1 389.971 3.685 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CC[NH+](C2CC2)CC1 ZINC000577008298 902425506 /nfs/dbraw/zinc/42/55/06/902425506.db2.gz DWYNDVOVMREKKF-NRFANRHFSA-N 2 1 389.971 3.685 20 0 GHADMP C[C@H](C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)cc1 ZINC000577026333 902442720 /nfs/dbraw/zinc/44/27/20/902442720.db2.gz NEELGBCKOSJWNS-HYBUGGRVSA-N 2 1 381.539 3.821 20 0 GHADMP Cn1nnc2cc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4[NH+](C)Cc3cccs3)ccc21 ZINC001144636653 902545333 /nfs/dbraw/zinc/54/53/33/902545333.db2.gz XHRCFNNNAOYYLI-SLYNCCJLSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@H+](C)Cc3cccs3)ccc21 ZINC001144636653 902545345 /nfs/dbraw/zinc/54/53/45/902545345.db2.gz XHRCFNNNAOYYLI-SLYNCCJLSA-N 2 1 395.576 3.762 20 0 GHADMP Cn1nnc2cc(C[NH+]3C[C@H]4[C@@H](C3)CCC[C@H]4[N@@H+](C)Cc3cccs3)ccc21 ZINC001144636653 902545356 /nfs/dbraw/zinc/54/53/56/902545356.db2.gz XHRCFNNNAOYYLI-SLYNCCJLSA-N 2 1 395.576 3.762 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000290350030 914637945 /nfs/dbraw/zinc/63/79/45/914637945.db2.gz QAHKAISKEXONKQ-SFHVURJKSA-N 2 1 375.513 3.878 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000577636869 902983954 /nfs/dbraw/zinc/98/39/54/902983954.db2.gz AQXFETBHPSYSMS-LJQANCHMSA-N 2 1 379.548 3.753 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1F ZINC000779031788 903220957 /nfs/dbraw/zinc/22/09/57/903220957.db2.gz WUAWNKXZMZWUTO-KRWDZBQOSA-N 2 1 388.487 3.809 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCC2)C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1 ZINC001171254017 903233242 /nfs/dbraw/zinc/23/32/42/903233242.db2.gz AHDMJLSTJGHQKG-GGRGVLTASA-N 2 1 381.564 3.947 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000772957639 903283497 /nfs/dbraw/zinc/28/34/97/903283497.db2.gz QIHPJUYDNMUKFP-SFHVURJKSA-N 2 1 376.545 3.886 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000772957639 903283510 /nfs/dbraw/zinc/28/35/10/903283510.db2.gz QIHPJUYDNMUKFP-SFHVURJKSA-N 2 1 376.545 3.886 20 0 GHADMP CCC(CC)(CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000601145346 903389671 /nfs/dbraw/zinc/38/96/71/903389671.db2.gz OFOUZZZUPJIHHN-VQTJNVASSA-N 2 1 388.600 3.926 20 0 GHADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000578034237 903460918 /nfs/dbraw/zinc/46/09/18/903460918.db2.gz XGZKTJLZWONACY-OYTPZHDJSA-N 2 1 397.607 3.914 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1 ZINC001171272674 903463427 /nfs/dbraw/zinc/46/34/27/903463427.db2.gz SAOHVWAYEWYSMZ-AIZNXBIQSA-N 2 1 383.580 3.874 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134864649 903583151 /nfs/dbraw/zinc/58/31/51/903583151.db2.gz NPXHWSQSZZBHAR-DNVCBOLYSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864649 903583162 /nfs/dbraw/zinc/58/31/62/903583162.db2.gz NPXHWSQSZZBHAR-DNVCBOLYSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864649 903583168 /nfs/dbraw/zinc/58/31/68/903583168.db2.gz NPXHWSQSZZBHAR-DNVCBOLYSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([NH+]1CCC([NH3+])(Cc3cccnc3)CC1)CC2 ZINC001171306809 903800657 /nfs/dbraw/zinc/80/06/57/903800657.db2.gz ONKXGAUMGMZDJK-KRWDZBQOSA-N 2 1 385.939 3.637 20 0 GHADMP CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000578701619 904063443 /nfs/dbraw/zinc/06/34/43/904063443.db2.gz QKMLJZBJADTQSX-HSZRJFAPSA-N 2 1 397.538 3.817 20 0 GHADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000048745144 904095476 /nfs/dbraw/zinc/09/54/76/904095476.db2.gz NGJWCLDDTHHRAX-INIZCTEOSA-N 2 1 391.357 3.683 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000048745144 904095488 /nfs/dbraw/zinc/09/54/88/904095488.db2.gz NGJWCLDDTHHRAX-INIZCTEOSA-N 2 1 391.357 3.683 20 0 GHADMP NC(=[NH2+])Nc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC001148645703 904136626 /nfs/dbraw/zinc/13/66/26/904136626.db2.gz GUPFDGVVXJNXRU-UHFFFAOYSA-N 2 1 385.471 3.760 20 0 GHADMP NC(=[NH2+])Nc1ccc(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC001148645703 904136636 /nfs/dbraw/zinc/13/66/36/904136636.db2.gz GUPFDGVVXJNXRU-UHFFFAOYSA-N 2 1 385.471 3.760 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000773078138 904415137 /nfs/dbraw/zinc/41/51/37/904415137.db2.gz VEAUBARULRYESO-HOTGVXAUSA-N 2 1 388.524 3.702 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000773078138 904415148 /nfs/dbraw/zinc/41/51/48/904415148.db2.gz VEAUBARULRYESO-HOTGVXAUSA-N 2 1 388.524 3.702 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC001171380662 904422324 /nfs/dbraw/zinc/42/23/24/904422324.db2.gz BWHLXBMEKAKKMJ-HLIPFELVSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)[C@H](C)C1 ZINC001171380662 904422329 /nfs/dbraw/zinc/42/23/29/904422329.db2.gz BWHLXBMEKAKKMJ-HLIPFELVSA-N 2 1 377.960 3.714 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000579203771 904424535 /nfs/dbraw/zinc/42/45/35/904424535.db2.gz BMRFKPTUOJETFS-KRWDZBQOSA-N 2 1 382.527 3.702 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000773117551 904443422 /nfs/dbraw/zinc/44/34/22/904443422.db2.gz KCEOFWRZZFDJGI-JBACZVJFSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000773117551 904443427 /nfs/dbraw/zinc/44/34/27/904443427.db2.gz KCEOFWRZZFDJGI-JBACZVJFSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@H](COCC)C3)c2)C1 ZINC000579435948 904600996 /nfs/dbraw/zinc/60/09/96/904600996.db2.gz XCDADQZRJMHACS-NHCUHLMSSA-N 2 1 389.584 3.579 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)C2 ZINC001171616158 904882533 /nfs/dbraw/zinc/88/25/33/904882533.db2.gz ZAQUNXMXCUWEOF-BZDHPDOMSA-N 2 1 379.589 3.684 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171617743 904885066 /nfs/dbraw/zinc/88/50/66/904885066.db2.gz QSQPPVIIFYDHAD-HCXYKTFWSA-N 2 1 379.589 3.684 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171617743 904885082 /nfs/dbraw/zinc/88/50/82/904885082.db2.gz QSQPPVIIFYDHAD-HCXYKTFWSA-N 2 1 379.589 3.684 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C3)C[C@@H]2C1 ZINC001171617743 904885085 /nfs/dbraw/zinc/88/50/85/904885085.db2.gz QSQPPVIIFYDHAD-HCXYKTFWSA-N 2 1 379.589 3.684 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1 ZINC001171672121 904913092 /nfs/dbraw/zinc/91/30/92/904913092.db2.gz QBRYAZADYUCEBZ-HXUWFJFHSA-N 2 1 396.579 3.619 20 0 GHADMP Cc1ccc(CC[C@@H](C)[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001171672121 904913103 /nfs/dbraw/zinc/91/31/03/904913103.db2.gz QBRYAZADYUCEBZ-HXUWFJFHSA-N 2 1 396.579 3.619 20 0 GHADMP Cc1ccc(CC[C@@H](C)[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001171672121 904913115 /nfs/dbraw/zinc/91/31/15/904913115.db2.gz QBRYAZADYUCEBZ-HXUWFJFHSA-N 2 1 396.579 3.619 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CC(C)(C)[NH+](C)C(C)(C)C1)[C@H]2C ZINC001171638022 904925798 /nfs/dbraw/zinc/92/57/98/904925798.db2.gz PROWUZJOPLDGCP-KRWDZBQOSA-N 2 1 375.605 3.751 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CC1(C)C ZINC001171638658 904928019 /nfs/dbraw/zinc/92/80/19/904928019.db2.gz YRAHXARIXAUNPG-OAQYLSRUSA-N 2 1 375.582 3.828 20 0 GHADMP CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640314 904929620 /nfs/dbraw/zinc/92/96/20/904929620.db2.gz BVLMKHXDLGPBER-JOCHJYFZSA-N 2 1 387.612 3.861 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC001171719374 904945981 /nfs/dbraw/zinc/94/59/81/904945981.db2.gz RRVLPMNISYGUNI-DEOSSOPVSA-N 2 1 378.560 3.750 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC001171719374 904945986 /nfs/dbraw/zinc/94/59/86/904945986.db2.gz RRVLPMNISYGUNI-DEOSSOPVSA-N 2 1 378.560 3.750 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001171726147 904951806 /nfs/dbraw/zinc/95/18/06/904951806.db2.gz DFJQMWINIWVSBV-WEYGHZABSA-N 2 1 391.515 3.520 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001171726147 904951819 /nfs/dbraw/zinc/95/18/19/904951819.db2.gz DFJQMWINIWVSBV-WEYGHZABSA-N 2 1 391.515 3.520 20 0 GHADMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccc(O)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171734169 905015300 /nfs/dbraw/zinc/01/53/00/905015300.db2.gz MEQVRCCZEZSWNO-WMZHIEFXSA-N 2 1 379.548 3.609 20 0 GHADMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccc(O)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171734169 905015317 /nfs/dbraw/zinc/01/53/17/905015317.db2.gz MEQVRCCZEZSWNO-WMZHIEFXSA-N 2 1 379.548 3.609 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001171956823 905164478 /nfs/dbraw/zinc/16/44/78/905164478.db2.gz QHHHDTCAPVUAFJ-IKPFXXEMSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001171956823 905164487 /nfs/dbraw/zinc/16/44/87/905164487.db2.gz QHHHDTCAPVUAFJ-IKPFXXEMSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001171956823 905164492 /nfs/dbraw/zinc/16/44/92/905164492.db2.gz QHHHDTCAPVUAFJ-IKPFXXEMSA-N 2 1 384.564 3.952 20 0 GHADMP CC1(C)C[C@@H](n2ccncc2=N[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001171979996 905229430 /nfs/dbraw/zinc/22/94/30/905229430.db2.gz OGOFJPKUKLDKKV-FKBYEOEOSA-N 2 1 393.579 3.669 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983757 905237745 /nfs/dbraw/zinc/23/77/45/905237745.db2.gz AGMIXRZKKVRJGN-RTWAWAEBSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@H]1CC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983757 905237756 /nfs/dbraw/zinc/23/77/56/905237756.db2.gz AGMIXRZKKVRJGN-RTWAWAEBSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983757 905237768 /nfs/dbraw/zinc/23/77/68/905237768.db2.gz AGMIXRZKKVRJGN-RTWAWAEBSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccnc1O[C@H]1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983757 905237783 /nfs/dbraw/zinc/23/77/83/905237783.db2.gz AGMIXRZKKVRJGN-RTWAWAEBSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(C[C@H](CO)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001172072819 905275745 /nfs/dbraw/zinc/27/57/45/905275745.db2.gz NGTZKQXHFZISEY-JLLPCOHGSA-N 2 1 394.559 3.774 20 0 GHADMP CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072715 905276815 /nfs/dbraw/zinc/27/68/15/905276815.db2.gz PVDWPAPWVKUSHN-KHUIQGCPSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001172072715 905276832 /nfs/dbraw/zinc/27/68/32/905276832.db2.gz PVDWPAPWVKUSHN-KHUIQGCPSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@@]2(CC1=O)CCCC[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072715 905276850 /nfs/dbraw/zinc/27/68/50/905276850.db2.gz PVDWPAPWVKUSHN-KHUIQGCPSA-N 2 1 381.564 3.659 20 0 GHADMP CN1C[C@@]2(CC1=O)CCCC[NH+]2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072715 905276862 /nfs/dbraw/zinc/27/68/62/905276862.db2.gz PVDWPAPWVKUSHN-KHUIQGCPSA-N 2 1 381.564 3.659 20 0 GHADMP O=C1CCCCCN1CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072802 905278875 /nfs/dbraw/zinc/27/88/75/905278875.db2.gz NCXPESJVZCGFMR-WBDAEOGXSA-N 2 1 383.580 3.954 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2C[C@@H](OCC4CC4)[C@H]4COC[C@H]42)C3)cc1 ZINC001172074903 905285044 /nfs/dbraw/zinc/28/50/44/905285044.db2.gz VLQVOBDBYKKGRT-JSFAVJLPSA-N 2 1 396.575 3.698 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2C[C@@H](OCC4CC4)[C@H]4COC[C@H]42)C3)cc1 ZINC001172074903 905285059 /nfs/dbraw/zinc/28/50/59/905285059.db2.gz VLQVOBDBYKKGRT-JSFAVJLPSA-N 2 1 396.575 3.698 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H](OCC4CC4)[C@H]4COC[C@H]42)C3)cc1 ZINC001172074903 905285076 /nfs/dbraw/zinc/28/50/76/905285076.db2.gz VLQVOBDBYKKGRT-JSFAVJLPSA-N 2 1 396.575 3.698 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2C[C@@H](OCC4CC4)[C@H]4COC[C@H]42)C3)cc1 ZINC001172074903 905285093 /nfs/dbraw/zinc/28/50/93/905285093.db2.gz VLQVOBDBYKKGRT-JSFAVJLPSA-N 2 1 396.575 3.698 20 0 GHADMP CCN1CCC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)C1=O ZINC001172082479 905296409 /nfs/dbraw/zinc/29/64/09/905296409.db2.gz KNXMQQLIPOKMKV-NUNAXRQHSA-N 2 1 395.591 3.907 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100491 905321485 /nfs/dbraw/zinc/32/14/85/905321485.db2.gz RKLLDTYDBHTEEQ-LTFPLMDUSA-N 2 1 379.589 3.875 20 0 GHADMP [NH3+]Cc1cccc(-c2nnn([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)c1 ZINC001172066674 905332266 /nfs/dbraw/zinc/33/22/66/905332266.db2.gz DYVQSWAMUZIWPV-ZBYYUNFXSA-N 2 1 388.519 3.557 20 0 GHADMP O=C(C1CCC1)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172067752 905334255 /nfs/dbraw/zinc/33/42/55/905334255.db2.gz SDMUGJARJFYXPI-CWBXHPNXSA-N 2 1 381.564 3.563 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127952 905341582 /nfs/dbraw/zinc/34/15/82/905341582.db2.gz MFEUOGRXPMTRPD-PMOLBWCYSA-N 2 1 399.579 3.683 20 0 GHADMP CC(C)NC(=O)c1ccccc1OC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127952 905341604 /nfs/dbraw/zinc/34/16/04/905341604.db2.gz MFEUOGRXPMTRPD-PMOLBWCYSA-N 2 1 399.579 3.683 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC[C@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116873 905370898 /nfs/dbraw/zinc/37/08/98/905370898.db2.gz HCVWZEYUNWWQKM-IIZPIQPGSA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CC[C@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116873 905370902 /nfs/dbraw/zinc/37/09/02/905370902.db2.gz HCVWZEYUNWWQKM-IIZPIQPGSA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CC[C@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116873 905370917 /nfs/dbraw/zinc/37/09/17/905370917.db2.gz HCVWZEYUNWWQKM-IIZPIQPGSA-N 2 1 387.593 3.692 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117841 905371129 /nfs/dbraw/zinc/37/11/29/905371129.db2.gz SJWZZBIKWZSPGZ-JTJHWIPRSA-N 2 1 390.522 3.634 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117841 905371146 /nfs/dbraw/zinc/37/11/46/905371146.db2.gz SJWZZBIKWZSPGZ-JTJHWIPRSA-N 2 1 390.522 3.634 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117841 905371160 /nfs/dbraw/zinc/37/11/60/905371160.db2.gz SJWZZBIKWZSPGZ-JTJHWIPRSA-N 2 1 390.522 3.634 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCc3ncnc(-c4cccc(F)c4)c3CC1)C2 ZINC001172116890 905371437 /nfs/dbraw/zinc/37/14/37/905371437.db2.gz HFRNTZQAPIICID-ACDBMABISA-N 2 1 380.511 3.699 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCc3ncnc(-c4cccc(F)c4)c3CC1)C2 ZINC001172116890 905371471 /nfs/dbraw/zinc/37/14/71/905371471.db2.gz HFRNTZQAPIICID-ACDBMABISA-N 2 1 380.511 3.699 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCc3ncnc(-c4cccc(F)c4)c3CC1)C2 ZINC001172116890 905371484 /nfs/dbraw/zinc/37/14/84/905371484.db2.gz HFRNTZQAPIICID-ACDBMABISA-N 2 1 380.511 3.699 20 0 GHADMP Cc1nc(C[NH+]2CCCC23CCN([C@H]2C[C@H]4CCC[C@@H](C2)[N@@H+]4C)CC3)cs1 ZINC001172119490 905373701 /nfs/dbraw/zinc/37/37/01/905373701.db2.gz VSNTWXLYTDJNOS-AERCQKQUSA-N 2 1 388.625 3.897 20 0 GHADMP Cc1nc(C[N@H+]2CCCC23CCN([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)cs1 ZINC001172119490 905373720 /nfs/dbraw/zinc/37/37/20/905373720.db2.gz VSNTWXLYTDJNOS-AERCQKQUSA-N 2 1 388.625 3.897 20 0 GHADMP Cc1nc(C[N@@H+]2CCCC23CCN([C@H]2C[C@H]4CCC[C@@H](C2)[NH+]4C)CC3)cs1 ZINC001172119490 905373741 /nfs/dbraw/zinc/37/37/41/905373741.db2.gz VSNTWXLYTDJNOS-AERCQKQUSA-N 2 1 388.625 3.897 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H]3CCCN(C)[C@H]3C2)CC1 ZINC001172215870 905419087 /nfs/dbraw/zinc/41/90/87/905419087.db2.gz MALISNXLLRKMLH-GJRMFYPFSA-N 2 1 390.955 3.719 20 0 GHADMP CCC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](CCCOC)CC1 ZINC001172254728 905450783 /nfs/dbraw/zinc/45/07/83/905450783.db2.gz UQYCWCXGLCKKBW-UHFFFAOYSA-N 2 1 397.604 3.599 20 0 GHADMP CCC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](CCCOC)CC1 ZINC001172254728 905450795 /nfs/dbraw/zinc/45/07/95/905450795.db2.gz UQYCWCXGLCKKBW-UHFFFAOYSA-N 2 1 397.604 3.599 20 0 GHADMP COCCC[NH+]1CCC(N2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC001172254729 905451291 /nfs/dbraw/zinc/45/12/91/905451291.db2.gz UVCUMBGIBVUKEN-UHFFFAOYSA-N 2 1 394.003 3.737 20 0 GHADMP CC(C)COCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001172469081 905550669 /nfs/dbraw/zinc/55/06/69/905550669.db2.gz ZNSUPTWOEKDEBB-AGILITTLSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172469081 905550678 /nfs/dbraw/zinc/55/06/78/905550678.db2.gz ZNSUPTWOEKDEBB-AGILITTLSA-N 2 1 392.628 3.898 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001172469081 905550690 /nfs/dbraw/zinc/55/06/90/905550690.db2.gz ZNSUPTWOEKDEBB-AGILITTLSA-N 2 1 392.628 3.898 20 0 GHADMP C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172576695 905621603 /nfs/dbraw/zinc/62/16/03/905621603.db2.gz HAKTWZVFQRCETK-INIZCTEOSA-N 2 1 385.930 3.653 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)CC(C3CCC3)C3CCC3)CC2)CC1 ZINC000627794622 905755059 /nfs/dbraw/zinc/75/50/59/905755059.db2.gz JCERIGPXMUHZBT-UHFFFAOYSA-N 2 1 375.601 3.612 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)CC(C3CCC3)C3CCC3)CC2)CC1 ZINC000627794622 905755065 /nfs/dbraw/zinc/75/50/65/905755065.db2.gz JCERIGPXMUHZBT-UHFFFAOYSA-N 2 1 375.601 3.612 20 0 GHADMP CC(C)C[N@H+](C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172810251 905843439 /nfs/dbraw/zinc/84/34/39/905843439.db2.gz CXOZPTNOJHTKDL-NAEGJUCDSA-N 2 1 377.573 3.921 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001172801878 905873933 /nfs/dbraw/zinc/87/39/33/905873933.db2.gz KTZYRLWMUZTODZ-IQWRZIDRSA-N 2 1 377.573 3.651 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001172863684 905918420 /nfs/dbraw/zinc/91/84/20/905918420.db2.gz PBCJALGGHQGNHW-QGZVFWFLSA-N 2 1 389.946 3.947 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001173108374 906194089 /nfs/dbraw/zinc/19/40/89/906194089.db2.gz DEAFILJHHVFNAA-YNIZLOQISA-N 2 1 379.589 3.971 20 0 GHADMP c1ccc(OC2CCC([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CC2)cc1 ZINC001173197837 906283603 /nfs/dbraw/zinc/28/36/03/906283603.db2.gz KJQINUQPPOYCIK-UHFFFAOYSA-N 2 1 380.532 3.999 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)c(C)n2n1 ZINC000179429321 906500718 /nfs/dbraw/zinc/50/07/18/906500718.db2.gz GOWVOIDXVLRQCM-INIZCTEOSA-N 2 1 396.539 3.514 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173558576 906532036 /nfs/dbraw/zinc/53/20/36/906532036.db2.gz UWEOTSDHLQAJTD-XBMUEBEBSA-N 2 1 397.357 3.631 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001173558576 906532052 /nfs/dbraw/zinc/53/20/52/906532052.db2.gz UWEOTSDHLQAJTD-XBMUEBEBSA-N 2 1 397.357 3.631 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734258 906675428 /nfs/dbraw/zinc/67/54/28/906675428.db2.gz HYQRYUDNYRCOFV-WUMKDDEVSA-N 2 1 392.543 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734258 906675437 /nfs/dbraw/zinc/67/54/37/906675437.db2.gz HYQRYUDNYRCOFV-WUMKDDEVSA-N 2 1 392.543 3.858 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001173734258 906675446 /nfs/dbraw/zinc/67/54/46/906675446.db2.gz HYQRYUDNYRCOFV-WUMKDDEVSA-N 2 1 392.543 3.858 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Cl)cc2)[C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173741512 906679363 /nfs/dbraw/zinc/67/93/63/906679363.db2.gz DJWIXVGWFFIOLU-MUGJNUQGSA-N 2 1 388.947 3.582 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566154 906872044 /nfs/dbraw/zinc/87/20/44/906872044.db2.gz MKGQRKVCRQUDCT-JQWIXIFHSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566154 906872060 /nfs/dbraw/zinc/87/20/60/906872060.db2.gz MKGQRKVCRQUDCT-JQWIXIFHSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566767 906873924 /nfs/dbraw/zinc/87/39/24/906873924.db2.gz OBTFGIWQPUYBQK-GHMZBOCLSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1C(F)(F)F ZINC000629566767 906873933 /nfs/dbraw/zinc/87/39/33/906873933.db2.gz OBTFGIWQPUYBQK-GHMZBOCLSA-N 2 1 398.256 3.781 20 0 GHADMP Clc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629581299 906876408 /nfs/dbraw/zinc/87/64/08/906876408.db2.gz VCGORBCTVXREDZ-CJNGLKHVSA-N 2 1 385.733 3.760 20 0 GHADMP Clc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629581299 906876429 /nfs/dbraw/zinc/87/64/29/906876429.db2.gz VCGORBCTVXREDZ-CJNGLKHVSA-N 2 1 385.733 3.760 20 0 GHADMP C[N@@H+](CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000629995608 907091492 /nfs/dbraw/zinc/09/14/92/907091492.db2.gz CPNFJHUIFBMKPL-QHCPKHFHSA-N 2 1 383.580 3.620 20 0 GHADMP O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001175717072 907700459 /nfs/dbraw/zinc/70/04/59/907700459.db2.gz WYIKEABPLWCOGQ-QFIPXVFZSA-N 2 1 392.547 3.918 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC001177256437 908493623 /nfs/dbraw/zinc/49/36/23/908493623.db2.gz GBXUROYGYOBUFX-IBGZPJMESA-N 2 1 375.520 3.789 20 0 GHADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000633944810 908546959 /nfs/dbraw/zinc/54/69/59/908546959.db2.gz MSQNHTPQXKBEIQ-FQEVSTJZSA-N 2 1 398.595 3.970 20 0 GHADMP Clc1sc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000191123802 908580622 /nfs/dbraw/zinc/58/06/22/908580622.db2.gz HIXRJYWDSQZTSL-LLVKDONJSA-N 2 1 393.778 3.755 20 0 GHADMP Cc1ccccc1-c1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001177586391 908650969 /nfs/dbraw/zinc/65/09/69/908650969.db2.gz CLJGEIAKXKICRI-QHCPKHFHSA-N 2 1 379.548 3.694 20 0 GHADMP Cc1ccccc1-c1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001177586391 908650982 /nfs/dbraw/zinc/65/09/82/908650982.db2.gz CLJGEIAKXKICRI-QHCPKHFHSA-N 2 1 379.548 3.694 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CCc3ccccc3CC2)c1 ZINC001177631441 908682410 /nfs/dbraw/zinc/68/24/10/908682410.db2.gz KMOMULLFKUMCOF-UHFFFAOYSA-N 2 1 382.548 3.681 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nc4cc(F)ccc4o3)CC2)cs1 ZINC000634961307 909091538 /nfs/dbraw/zinc/09/15/38/909091538.db2.gz QUHUCIUSVGTAAY-UHFFFAOYSA-N 2 1 388.512 3.988 20 0 GHADMP CC(C)(C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C[NH+]1CCCC1 ZINC001178615647 909148015 /nfs/dbraw/zinc/14/80/15/909148015.db2.gz VWWYUPXVZWJOHT-UHFFFAOYSA-N 2 1 397.357 3.822 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccc(F)cc3)C3CCCCC3)cn2)CC1 ZINC001179364842 909508528 /nfs/dbraw/zinc/50/85/28/909508528.db2.gz CMLIQAUYJKYYPJ-JOCHJYFZSA-N 2 1 397.542 3.779 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000268160818 909783935 /nfs/dbraw/zinc/78/39/35/909783935.db2.gz SVBLAYYARVJJDR-UHFFFAOYSA-N 2 1 389.590 3.653 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@@H]2c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637899818 909999478 /nfs/dbraw/zinc/99/94/78/909999478.db2.gz SRJJXINDNRSULX-JOCHJYFZSA-N 2 1 377.532 3.734 20 0 GHADMP COC(=O)COc1ccccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001180225186 910024611 /nfs/dbraw/zinc/02/46/11/910024611.db2.gz PGKKIZYNOZPHIG-IBGZPJMESA-N 2 1 388.552 3.715 20 0 GHADMP C[NH+](C)Cc1ccc(C(N)=O)cc1N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638257932 910099353 /nfs/dbraw/zinc/09/93/53/910099353.db2.gz DCDCNQDNPXZKHK-OFNKIYASSA-N 2 1 392.547 3.627 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)nc(C)n1 ZINC000269053146 910120076 /nfs/dbraw/zinc/12/00/76/910120076.db2.gz IOZGHYVHKUZKQD-JPYJTQIMSA-N 2 1 393.579 3.562 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)nc(C)n1 ZINC000269053146 910120089 /nfs/dbraw/zinc/12/00/89/910120089.db2.gz IOZGHYVHKUZKQD-JPYJTQIMSA-N 2 1 393.579 3.562 20 0 GHADMP COCC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638331667 910120774 /nfs/dbraw/zinc/12/07/74/910120774.db2.gz JPKFZHHDMMGGTM-OFNKIYASSA-N 2 1 393.531 3.729 20 0 GHADMP COCC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638331667 910120780 /nfs/dbraw/zinc/12/07/80/910120780.db2.gz JPKFZHHDMMGGTM-OFNKIYASSA-N 2 1 393.531 3.729 20 0 GHADMP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)c2ccccc21 ZINC000639066068 910304170 /nfs/dbraw/zinc/30/41/70/910304170.db2.gz TWHGPYLDQWAJJN-RTBURBONSA-N 2 1 392.547 3.972 20 0 GHADMP CS(=O)(=O)CC1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639213678 910353108 /nfs/dbraw/zinc/35/31/08/910353108.db2.gz KOYXHTVEYMBMEN-RURQWIPHSA-N 2 1 390.593 3.548 20 0 GHADMP CS(=O)(=O)CC1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639213678 910353117 /nfs/dbraw/zinc/35/31/17/910353117.db2.gz KOYXHTVEYMBMEN-RURQWIPHSA-N 2 1 390.593 3.548 20 0 GHADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757162 910649202 /nfs/dbraw/zinc/64/92/02/910649202.db2.gz HUOLWEFTAJRCNR-QGZVFWFLSA-N 2 1 390.597 3.615 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C34CC[NH+](CC3)CC4)cccc2[C@@H](c2ccccc2)C1 ZINC001181550667 910835149 /nfs/dbraw/zinc/83/51/49/910835149.db2.gz LEXIKPTUKBGLIH-HXUWFJFHSA-N 2 1 375.516 3.688 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2c3c(nn2C)CCSC3)CC1)CC(C)C ZINC001181515913 910838527 /nfs/dbraw/zinc/83/85/27/910838527.db2.gz XVWOTHUDLDHPOX-UHFFFAOYSA-N 2 1 378.630 3.789 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC2)cc1 ZINC000271450967 910910089 /nfs/dbraw/zinc/91/00/89/910910089.db2.gz DROWHMSQGMGFOL-OAQYLSRUSA-N 2 1 392.584 3.867 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000271502216 910932479 /nfs/dbraw/zinc/93/24/79/910932479.db2.gz MEVCIYBFKCOFNH-HUVFLSCGSA-N 2 1 391.559 3.535 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C(=O)Nc2cccc3c2C[NH+](C)C[C@@H]3c2ccccc2)C1 ZINC001181983727 911110052 /nfs/dbraw/zinc/11/00/52/911110052.db2.gz LXOBYWWSFMUCRH-TZIWHRDSSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[NH+]1CC[C@@H](C(=O)Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)C1 ZINC001181983727 911110062 /nfs/dbraw/zinc/11/00/62/911110062.db2.gz LXOBYWWSFMUCRH-TZIWHRDSSA-N 2 1 377.532 3.933 20 0 GHADMP CC(C)[NH+]1CC[C@@H](C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)C1 ZINC001181983727 911110070 /nfs/dbraw/zinc/11/00/70/911110070.db2.gz LXOBYWWSFMUCRH-TZIWHRDSSA-N 2 1 377.532 3.933 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182246332 911332859 /nfs/dbraw/zinc/33/28/59/911332859.db2.gz SXRTZFYICZAYGR-VABKMULXSA-N 2 1 379.548 3.849 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182246332 911332878 /nfs/dbraw/zinc/33/28/78/911332878.db2.gz SXRTZFYICZAYGR-VABKMULXSA-N 2 1 379.548 3.849 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC001182247799 911340235 /nfs/dbraw/zinc/34/02/35/911340235.db2.gz ZYLRVPBKIHOINF-JLLPCOHGSA-N 2 1 391.559 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC001182247799 911340263 /nfs/dbraw/zinc/34/02/63/911340263.db2.gz ZYLRVPBKIHOINF-JLLPCOHGSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001182247799 911340269 /nfs/dbraw/zinc/34/02/69/911340269.db2.gz ZYLRVPBKIHOINF-JLLPCOHGSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001182247799 911340293 /nfs/dbraw/zinc/34/02/93/911340293.db2.gz ZYLRVPBKIHOINF-JLLPCOHGSA-N 2 1 391.559 3.991 20 0 GHADMP CCCC[N@H+](CC)[C@@H](C(=O)N[C@H]1CC[NH+](Cc2cccnc2)C1)c1ccccc1 ZINC001182238252 911357129 /nfs/dbraw/zinc/35/71/29/911357129.db2.gz VXHQSQLPXFGBKD-XZOQPEGZSA-N 2 1 394.563 3.635 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)N[C@H]1CC[NH+](Cc2cccnc2)C1)c1ccccc1 ZINC001182238252 911357141 /nfs/dbraw/zinc/35/71/41/911357141.db2.gz VXHQSQLPXFGBKD-XZOQPEGZSA-N 2 1 394.563 3.635 20 0 GHADMP CCCC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1)c1ccccc1 ZINC001182238252 911357155 /nfs/dbraw/zinc/35/71/55/911357155.db2.gz VXHQSQLPXFGBKD-XZOQPEGZSA-N 2 1 394.563 3.635 20 0 GHADMP CCCC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC001182238252 911357168 /nfs/dbraw/zinc/35/71/68/911357168.db2.gz VXHQSQLPXFGBKD-XZOQPEGZSA-N 2 1 394.563 3.635 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[N@H+](C4CC4)C[C@@H]3C)c2c1C ZINC000466803743 911881314 /nfs/dbraw/zinc/88/13/14/911881314.db2.gz SOSHRVWMTBOZAB-GUYCJALGSA-N 2 1 385.581 3.799 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)c2c1C ZINC000466803743 911881334 /nfs/dbraw/zinc/88/13/34/911881334.db2.gz SOSHRVWMTBOZAB-GUYCJALGSA-N 2 1 385.581 3.799 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C[C@H]1Oc1ccccc1 ZINC001182825989 912068935 /nfs/dbraw/zinc/06/89/35/912068935.db2.gz MUJSQNANDHOMKD-YMPZKCBVSA-N 2 1 380.532 3.589 20 0 GHADMP Cn1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c(C(F)F)n1 ZINC000291015753 914917330 /nfs/dbraw/zinc/91/73/30/914917330.db2.gz AHQDJCYEHPJXGQ-UHFFFAOYSA-N 2 1 377.483 3.748 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC001187037398 915009717 /nfs/dbraw/zinc/00/97/17/915009717.db2.gz ZTOKQZFEYSHQAN-GGPKGHCWSA-N 2 1 393.522 3.695 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC001187037398 915009729 /nfs/dbraw/zinc/00/97/29/915009729.db2.gz ZTOKQZFEYSHQAN-GGPKGHCWSA-N 2 1 393.522 3.695 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(F)(F)C[C@H]1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001187037398 915009744 /nfs/dbraw/zinc/00/97/44/915009744.db2.gz ZTOKQZFEYSHQAN-GGPKGHCWSA-N 2 1 393.522 3.695 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(F)(F)C[C@H]1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001187037398 915009753 /nfs/dbraw/zinc/00/97/53/915009753.db2.gz ZTOKQZFEYSHQAN-GGPKGHCWSA-N 2 1 393.522 3.695 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2-c2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000647195745 915079690 /nfs/dbraw/zinc/07/96/90/915079690.db2.gz BSGOQGSPBCYNOU-CTNGQTDRSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000647249270 915105431 /nfs/dbraw/zinc/10/54/31/915105431.db2.gz OXWMGNSFSAKONP-GATIMQMVSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249270 915105437 /nfs/dbraw/zinc/10/54/37/915105437.db2.gz OXWMGNSFSAKONP-GATIMQMVSA-N 2 1 377.576 3.975 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000647249270 915105447 /nfs/dbraw/zinc/10/54/47/915105447.db2.gz OXWMGNSFSAKONP-GATIMQMVSA-N 2 1 377.576 3.975 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343918 915165423 /nfs/dbraw/zinc/16/54/23/915165423.db2.gz FVMJMDLIKUFNPS-NBCNXNJRSA-N 2 1 381.520 3.650 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343918 915165432 /nfs/dbraw/zinc/16/54/32/915165432.db2.gz FVMJMDLIKUFNPS-NBCNXNJRSA-N 2 1 381.520 3.650 20 0 GHADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OCc1cccnc1 ZINC000647479307 915288794 /nfs/dbraw/zinc/28/87/94/915288794.db2.gz BUMXJULWJZNWIG-LEWJYISDSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OCc1cccnc1 ZINC000647479307 915288806 /nfs/dbraw/zinc/28/88/06/915288806.db2.gz BUMXJULWJZNWIG-LEWJYISDSA-N 2 1 381.520 3.633 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482978 915297251 /nfs/dbraw/zinc/29/72/51/915297251.db2.gz OQVCJDOTMLVFJS-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482978 915297266 /nfs/dbraw/zinc/29/72/66/915297266.db2.gz OQVCJDOTMLVFJS-UHFFFAOYSA-N 2 1 383.330 3.573 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000648211120 915542175 /nfs/dbraw/zinc/54/21/75/915542175.db2.gz JILFAAUNYLPLCL-QFIPXVFZSA-N 2 1 377.532 3.723 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000075800926 915712959 /nfs/dbraw/zinc/71/29/59/915712959.db2.gz KKZFOMANQNIUKK-UHFFFAOYSA-N 2 1 375.504 3.806 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000543777532 915790146 /nfs/dbraw/zinc/79/01/46/915790146.db2.gz XRIAQKUPYBSKRI-QPPBQGQZSA-N 2 1 380.532 3.819 20 0 GHADMP CN1CC[NH+](CCOc2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000649436015 916157240 /nfs/dbraw/zinc/15/72/40/916157240.db2.gz NFILULMDZYADCY-UHFFFAOYSA-N 2 1 379.548 3.576 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCO[C@@H](c5cccnc5)C4)[C@H]3C2)cc1 ZINC000295119549 917151124 /nfs/dbraw/zinc/15/11/24/917151124.db2.gz XDKHGPIWRGVNKO-VHJOFQCFSA-N 2 1 377.532 3.802 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@H](c4cccnc4)C3)CC2)cc1 ZINC000295141464 917164885 /nfs/dbraw/zinc/16/48/85/917164885.db2.gz ZWQQSAVVSASWMF-DHIUTWEWSA-N 2 1 383.511 3.738 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OCC ZINC000650708406 917243334 /nfs/dbraw/zinc/24/33/34/917243334.db2.gz ZEBBGDAUKAMMRE-JAXLGGSGSA-N 2 1 390.568 3.983 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)C1 ZINC000650722383 917248984 /nfs/dbraw/zinc/24/89/84/917248984.db2.gz RIHKBSJSZKTBSV-UEVCKROQSA-N 2 1 381.520 3.521 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)C1 ZINC000650722384 917249034 /nfs/dbraw/zinc/24/90/34/917249034.db2.gz RIHKBSJSZKTBSV-WTIAFYNJSA-N 2 1 381.520 3.521 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnnn3-c3ccccc3)cc2)C1 ZINC000651677782 917692272 /nfs/dbraw/zinc/69/22/72/917692272.db2.gz UIGBLWRUMXXWPB-LJQANCHMSA-N 2 1 375.520 3.789 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000652360650 917880624 /nfs/dbraw/zinc/88/06/24/917880624.db2.gz NMDPJQKQWQZVTJ-WTIAFYNJSA-N 2 1 393.531 3.653 20 0 GHADMP C[C@H](Cc1cccs1)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001191464957 918030937 /nfs/dbraw/zinc/03/09/37/918030937.db2.gz URZWIBHHYRFLQN-GOSISDBHSA-N 2 1 385.577 3.523 20 0 GHADMP Cc1ccnc([C@@H]2CC[NH+](C/C=C/C[N@@H+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749746 918467431 /nfs/dbraw/zinc/46/74/31/918467431.db2.gz YBDBHZIMCPLHPU-UFICKVLRSA-N 2 1 376.548 3.928 20 0 GHADMP Cc1ccnc([C@@H]2CC[N@@H+](C/C=C/C[NH+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749746 918467444 /nfs/dbraw/zinc/46/74/44/918467444.db2.gz YBDBHZIMCPLHPU-UFICKVLRSA-N 2 1 376.548 3.928 20 0 GHADMP Cc1ccnc([C@@H]2CC[N@H+](C/C=C/C[NH+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749746 918467451 /nfs/dbraw/zinc/46/74/51/918467451.db2.gz YBDBHZIMCPLHPU-UFICKVLRSA-N 2 1 376.548 3.928 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000654482681 919145397 /nfs/dbraw/zinc/14/53/97/919145397.db2.gz VOLYLPAZNHKEFD-ORYQWCPZSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000654482681 919145405 /nfs/dbraw/zinc/14/54/05/919145405.db2.gz VOLYLPAZNHKEFD-ORYQWCPZSA-N 2 1 381.524 3.558 20 0 GHADMP FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000119413269 919628622 /nfs/dbraw/zinc/62/86/22/919628622.db2.gz QMMFIYQXYVPDEI-NSHDSACASA-N 2 1 375.257 3.624 20 0 GHADMP FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119413269 919628634 /nfs/dbraw/zinc/62/86/34/919628634.db2.gz QMMFIYQXYVPDEI-NSHDSACASA-N 2 1 375.257 3.624 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800507526 920214869 /nfs/dbraw/zinc/21/48/69/920214869.db2.gz YLIDRESNUIUKCP-QOUXRKOWSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000800507526 920214883 /nfs/dbraw/zinc/21/48/83/920214883.db2.gz YLIDRESNUIUKCP-QOUXRKOWSA-N 2 1 391.559 3.706 20 0 GHADMP CC(C)(C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001149057063 920746898 /nfs/dbraw/zinc/74/68/98/920746898.db2.gz LPXRZQIZEKTGHE-NRFANRHFSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902947488 922628604 /nfs/dbraw/zinc/62/86/04/922628604.db2.gz JLRFHRMJWKASMH-HNAYVOBHSA-N 2 1 393.453 3.908 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902947488 922628609 /nfs/dbraw/zinc/62/86/09/922628609.db2.gz JLRFHRMJWKASMH-HNAYVOBHSA-N 2 1 393.453 3.908 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(-n2ccnc2)c1 ZINC000902948101 922630278 /nfs/dbraw/zinc/63/02/78/922630278.db2.gz PLLUZGWENZYNIC-CYFREDJKSA-N 2 1 390.531 3.680 20 0 GHADMP c1cc(C[C@@H]2CC[N@H+](CCCC[NH+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368485457 922706080 /nfs/dbraw/zinc/70/60/80/922706080.db2.gz HTSJEIKCQRDQOV-PSWAGMNNSA-N 2 1 378.564 3.686 20 0 GHADMP c1cc(C[C@@H]2CC[NH+](CCCC[N@@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368485457 922706094 /nfs/dbraw/zinc/70/60/94/922706094.db2.gz HTSJEIKCQRDQOV-PSWAGMNNSA-N 2 1 378.564 3.686 20 0 GHADMP c1cc(C[C@@H]2CC[NH+](CCCC[N@H+]3CC[C@H](Cc4ccncc4)C3)C2)ccn1 ZINC000368485457 922706109 /nfs/dbraw/zinc/70/61/09/922706109.db2.gz HTSJEIKCQRDQOV-PSWAGMNNSA-N 2 1 378.564 3.686 20 0 GHADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000903085954 922760835 /nfs/dbraw/zinc/76/08/35/922760835.db2.gz JHQVUFSFINFWEW-NPZYAJIESA-N 2 1 377.573 3.769 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@]23CCOC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000903098976 922770469 /nfs/dbraw/zinc/77/04/69/922770469.db2.gz WNGPKGHJRXNXSE-AFYVEPGGSA-N 2 1 398.469 3.626 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@]23CCOC3)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000903098976 922770471 /nfs/dbraw/zinc/77/04/71/922770471.db2.gz WNGPKGHJRXNXSE-AFYVEPGGSA-N 2 1 398.469 3.626 20 0 GHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000903127991 922795816 /nfs/dbraw/zinc/79/58/16/922795816.db2.gz PNWYCXOECBETQC-TVFLVUDYSA-N 2 1 379.552 3.702 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)CC[N@H+]2C2CC2)c1 ZINC000903146213 922807210 /nfs/dbraw/zinc/80/72/10/922807210.db2.gz DUEDAAFUINEHIX-WDJPGHOQSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CC[NH+]2C2CC2)c1 ZINC000903146213 922807221 /nfs/dbraw/zinc/80/72/21/922807221.db2.gz DUEDAAFUINEHIX-WDJPGHOQSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@@H]2[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CC[NH+]2C2CC2)c1 ZINC000903146213 922807233 /nfs/dbraw/zinc/80/72/33/922807233.db2.gz DUEDAAFUINEHIX-WDJPGHOQSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@@H]2[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146213 922807238 /nfs/dbraw/zinc/80/72/38/922807238.db2.gz DUEDAAFUINEHIX-WDJPGHOQSA-N 2 1 381.564 3.720 20 0 GHADMP COc1cccc([C@@H]2[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)CCN2C2CC2)c1 ZINC000903146213 922807242 /nfs/dbraw/zinc/80/72/42/922807242.db2.gz DUEDAAFUINEHIX-WDJPGHOQSA-N 2 1 381.564 3.720 20 0 GHADMP Fc1ccc(-c2cn3c(n2)CC[C@@H]([NH2+]C2C[C@H]4CC[C@@H](C2)[N@@H+]4C2CC2)C3)c(F)c1 ZINC000903187735 922841272 /nfs/dbraw/zinc/84/12/72/922841272.db2.gz WHKPCVZVFUHXDS-VBZNHOPUSA-N 2 1 398.501 3.891 20 0 GHADMP C[C@H]1[N@@H+](CCCCC[NH+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000368823988 922899816 /nfs/dbraw/zinc/89/98/16/922899816.db2.gz OSMOKOIDQNTWNH-OYRHEFFESA-N 2 1 378.601 3.939 20 0 GHADMP C[C@H]1[NH+](CCCCC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000368823988 922899827 /nfs/dbraw/zinc/89/98/27/922899827.db2.gz OSMOKOIDQNTWNH-OYRHEFFESA-N 2 1 378.601 3.939 20 0 GHADMP C[C@H]1[NH+](CCCCC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000368823988 922899837 /nfs/dbraw/zinc/89/98/37/922899837.db2.gz OSMOKOIDQNTWNH-OYRHEFFESA-N 2 1 378.601 3.939 20 0 GHADMP C[NH+](C)CC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccnc1 ZINC000903379967 922978100 /nfs/dbraw/zinc/97/81/00/922978100.db2.gz JKOZAGBMQQRNOT-KIHHCIJBSA-N 2 1 378.564 3.860 20 0 GHADMP C[C@@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000369195312 923196391 /nfs/dbraw/zinc/19/63/91/923196391.db2.gz UJHQYPXOMMHTNW-IRXDYDNUSA-N 2 1 383.502 3.909 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000370725627 924275993 /nfs/dbraw/zinc/27/59/93/924275993.db2.gz UNMILUXXIPRLNR-REWPJTCUSA-N 2 1 394.563 3.640 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000370725627 924276003 /nfs/dbraw/zinc/27/60/03/924276003.db2.gz UNMILUXXIPRLNR-REWPJTCUSA-N 2 1 394.563 3.640 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000677237673 924295211 /nfs/dbraw/zinc/29/52/11/924295211.db2.gz NJCMPSKXJVJXLV-MHADKKCISA-N 2 1 398.595 3.856 20 0 GHADMP CC[C@H](C)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000677237673 924295220 /nfs/dbraw/zinc/29/52/20/924295220.db2.gz NJCMPSKXJVJXLV-MHADKKCISA-N 2 1 398.595 3.856 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000678020401 924585099 /nfs/dbraw/zinc/58/50/99/924585099.db2.gz OHQVBGVKUVOHCX-RTBURBONSA-N 2 1 383.536 3.856 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000678020401 924585101 /nfs/dbraw/zinc/58/51/01/924585101.db2.gz OHQVBGVKUVOHCX-RTBURBONSA-N 2 1 383.536 3.856 20 0 GHADMP Cc1cc(Br)ccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000678296130 924712329 /nfs/dbraw/zinc/71/23/29/924712329.db2.gz PJZFOCMINYETRD-UHFFFAOYSA-N 2 1 394.401 3.748 20 0 GHADMP c1ncn(-c2ccccc2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000678339208 924732601 /nfs/dbraw/zinc/73/26/01/924732601.db2.gz JPBDHXYHTXLFGO-GGAORHGYSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000678339208 924732604 /nfs/dbraw/zinc/73/26/04/924732604.db2.gz JPBDHXYHTXLFGO-GGAORHGYSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000678339208 924732611 /nfs/dbraw/zinc/73/26/11/924732611.db2.gz JPBDHXYHTXLFGO-GGAORHGYSA-N 2 1 387.531 3.754 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000678339208 924732618 /nfs/dbraw/zinc/73/26/18/924732618.db2.gz JPBDHXYHTXLFGO-GGAORHGYSA-N 2 1 387.531 3.754 20 0 GHADMP Brc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678686026 924884315 /nfs/dbraw/zinc/88/43/15/924884315.db2.gz NOWOQLAXFCKZJW-BEFAXECRSA-N 2 1 379.342 3.669 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679333556 925098178 /nfs/dbraw/zinc/09/81/78/925098178.db2.gz PNMAZYVBDYZKNS-MSOLQXFVSA-N 2 1 378.314 3.854 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000679335521 925099652 /nfs/dbraw/zinc/09/96/52/925099652.db2.gz BCQUEKWOCUHNKB-RCZVLFRGSA-N 2 1 391.559 3.982 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000680271361 925418422 /nfs/dbraw/zinc/41/84/22/925418422.db2.gz WDTPEJBOZDACIK-RJGXRXQPSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000410350840 925564308 /nfs/dbraw/zinc/56/43/08/925564308.db2.gz UWSOOJHRCPZJKE-FQEVSTJZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000410362988 925567888 /nfs/dbraw/zinc/56/78/88/925567888.db2.gz FDKRSVADXCHQND-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410373222 925585893 /nfs/dbraw/zinc/58/58/93/925585893.db2.gz WMDVWUSKDTWAIH-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)c1 ZINC000373110594 925866198 /nfs/dbraw/zinc/86/61/98/925866198.db2.gz DXVBDYBBPAJOQX-SFHVURJKSA-N 2 1 384.524 3.683 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000682110715 926015951 /nfs/dbraw/zinc/01/59/51/926015951.db2.gz YOAAGKLQMNYTDH-UHFFFAOYSA-N 2 1 394.563 3.839 20 0 GHADMP CC[N@@H+]1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)sc2C1 ZINC000411261144 926258563 /nfs/dbraw/zinc/25/85/63/926258563.db2.gz ZNWOCCWNZZJDDD-UHFFFAOYSA-N 2 1 384.549 3.759 20 0 GHADMP CC[N@H+]1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)sc2C1 ZINC000411261144 926258568 /nfs/dbraw/zinc/25/85/68/926258568.db2.gz ZNWOCCWNZZJDDD-UHFFFAOYSA-N 2 1 384.549 3.759 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393913315 926412310 /nfs/dbraw/zinc/41/23/10/926412310.db2.gz FAZIDYRRGRVZDM-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP COc1cccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000411548552 926512606 /nfs/dbraw/zinc/51/26/06/926512606.db2.gz FDJCEZZJBQJFJB-GCJKJVERSA-N 2 1 381.520 3.524 20 0 GHADMP C[C@@H](CC[NH+]1C[C@H](N2CCCC2)C[C@@H]1C)CC[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000411718138 926699325 /nfs/dbraw/zinc/69/93/25/926699325.db2.gz KKAWDWAGIOLSCO-NLPWIYRPSA-N 2 1 390.660 3.520 20 0 GHADMP C[C@H](CC[NH+]1C[C@@H](N2CCCC2)C[C@@H]1C)CC[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000411718138 926699331 /nfs/dbraw/zinc/69/93/31/926699331.db2.gz KKAWDWAGIOLSCO-NLPWIYRPSA-N 2 1 390.660 3.520 20 0 GHADMP C[C@H](CC[NH+]1C[C@@H](N2CCCC2)C[C@@H]1C)CC[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000411718138 926699364 /nfs/dbraw/zinc/69/93/64/926699364.db2.gz KKAWDWAGIOLSCO-NLPWIYRPSA-N 2 1 390.660 3.520 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cccc2F)s1 ZINC000750734914 927821182 /nfs/dbraw/zinc/82/11/82/927821182.db2.gz QFZLXLPDAZHBGS-OAHLLOKOSA-N 2 1 377.529 3.529 20 0 GHADMP CCc1nc(Cl)c(C)c(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000751111338 928034909 /nfs/dbraw/zinc/03/49/09/928034909.db2.gz RVNXYFSBJSLWFB-UHFFFAOYSA-N 2 1 394.007 3.633 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000544678097 929432192 /nfs/dbraw/zinc/43/21/92/929432192.db2.gz ZMAGDZWKAHIYQO-UHFFFAOYSA-N 2 1 379.552 3.815 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000544678097 929432199 /nfs/dbraw/zinc/43/21/99/929432199.db2.gz ZMAGDZWKAHIYQO-UHFFFAOYSA-N 2 1 379.552 3.815 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C ZINC000753662225 929468331 /nfs/dbraw/zinc/46/83/31/929468331.db2.gz QWHMOXQDDRHRQT-RRPUWOKSSA-N 2 1 382.548 3.846 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C ZINC000753662225 929468338 /nfs/dbraw/zinc/46/83/38/929468338.db2.gz QWHMOXQDDRHRQT-RRPUWOKSSA-N 2 1 382.548 3.846 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2cccc(Br)c2)CC1 ZINC000544759017 929544703 /nfs/dbraw/zinc/54/47/03/929544703.db2.gz QBMRABUTQMRRCA-UHFFFAOYSA-N 2 1 378.314 3.888 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000757772793 929795220 /nfs/dbraw/zinc/79/52/20/929795220.db2.gz KXPYGSGZHMYNLE-XXBNENTESA-N 2 1 394.563 3.553 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@@H]12 ZINC000469882383 930233545 /nfs/dbraw/zinc/23/35/45/930233545.db2.gz RFNNZWMVPYDFJR-APHBMKBZSA-N 2 1 378.339 3.742 20 0 GHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1NC(C)=O ZINC000470087520 930369548 /nfs/dbraw/zinc/36/95/48/930369548.db2.gz OETUJDVCFIDITO-FRIKZZABSA-N 2 1 393.531 3.939 20 0 GHADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1NC(C)=O ZINC000470087520 930369553 /nfs/dbraw/zinc/36/95/53/930369553.db2.gz OETUJDVCFIDITO-FRIKZZABSA-N 2 1 393.531 3.939 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000470368821 930566007 /nfs/dbraw/zinc/56/60/07/930566007.db2.gz FXSXHNZNBJRJPA-LEWJYISDSA-N 2 1 385.458 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000470368821 930566013 /nfs/dbraw/zinc/56/60/13/930566013.db2.gz FXSXHNZNBJRJPA-LEWJYISDSA-N 2 1 385.458 3.522 20 0 GHADMP C[C@H](Nc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780881449 930625842 /nfs/dbraw/zinc/62/58/42/930625842.db2.gz CWBBEAGIXGZCGY-UNMCSNQZSA-N 2 1 378.564 3.761 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C(C)C ZINC000470504309 930669596 /nfs/dbraw/zinc/66/95/96/930669596.db2.gz VYEAJOWQYYNKAG-IBGZPJMESA-N 2 1 382.980 3.751 20 0 GHADMP CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470751638 930882723 /nfs/dbraw/zinc/88/27/23/930882723.db2.gz OBLQDSIYDXXXBF-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP c1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCOCC2)cc1 ZINC000782757390 931325823 /nfs/dbraw/zinc/32/58/23/931325823.db2.gz PPJOGSIYUVWUSO-DEOSSOPVSA-N 2 1 380.532 3.776 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H](c2ccccc2)C2CCOCC2)c2cccs2)CC1 ZINC000782755604 931325881 /nfs/dbraw/zinc/32/58/81/931325881.db2.gz UKRVBWCFCOGAGW-FYYLOGMGSA-N 2 1 399.604 3.794 20 0 GHADMP CCc1ccc([C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)c2cccnc2)cc1 ZINC000924660745 931466189 /nfs/dbraw/zinc/46/61/89/931466189.db2.gz PWAVASNPOQCTNE-XMMPIXPASA-N 2 1 380.580 3.741 20 0 GHADMP C[NH+]1CCC(O)(C[NH2+][C@@H](c2cccnc2)c2ccc(Cl)cc2Cl)CC1 ZINC000925110946 931650660 /nfs/dbraw/zinc/65/06/60/931650660.db2.gz BAHAROKEPCGKCX-SFHVURJKSA-N 2 1 380.319 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C ZINC000925135131 931672224 /nfs/dbraw/zinc/67/22/24/931672224.db2.gz UHWWEDGKCMJHJJ-YSHGAJCASA-N 2 1 376.545 3.738 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2ccccc2F)CC1=O ZINC000783979242 931739217 /nfs/dbraw/zinc/73/92/17/931739217.db2.gz QFHDAIGTYHLVMF-HXUWFJFHSA-N 2 1 383.511 3.683 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@H](c2ccccc2F)CC1=O ZINC000783979242 931739223 /nfs/dbraw/zinc/73/92/23/931739223.db2.gz QFHDAIGTYHLVMF-HXUWFJFHSA-N 2 1 383.511 3.683 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000783980738 931739811 /nfs/dbraw/zinc/73/98/11/931739811.db2.gz XIJDTECMOQLESS-QHCPKHFHSA-N 2 1 379.548 3.852 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000783980738 931739816 /nfs/dbraw/zinc/73/98/16/931739816.db2.gz XIJDTECMOQLESS-QHCPKHFHSA-N 2 1 379.548 3.852 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000796692176 932031925 /nfs/dbraw/zinc/03/19/25/932031925.db2.gz AFVVWHWWGXNQDU-FUMNGEBKSA-N 2 1 397.604 3.549 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(C)(C)O)cc1 ZINC000926124077 932057076 /nfs/dbraw/zinc/05/70/76/932057076.db2.gz FVMGIFCRJRVRQL-WZONZLPQSA-N 2 1 382.548 3.722 20 0 GHADMP Cn1nccc1[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000926538774 932221956 /nfs/dbraw/zinc/22/19/56/932221956.db2.gz ZVZWYMGCKAEAIR-PNTZDKQRSA-N 2 1 394.563 3.816 20 0 GHADMP CC[N@@H+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000558871922 932284209 /nfs/dbraw/zinc/28/42/09/932284209.db2.gz ZFDAWMFNHBYRDF-ZNBHLAFESA-N 2 1 392.975 3.505 20 0 GHADMP CC[NH+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000558871922 932284217 /nfs/dbraw/zinc/28/42/17/932284217.db2.gz ZFDAWMFNHBYRDF-ZNBHLAFESA-N 2 1 392.975 3.505 20 0 GHADMP CC[NH+](C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558871922 932284224 /nfs/dbraw/zinc/28/42/24/932284224.db2.gz ZFDAWMFNHBYRDF-ZNBHLAFESA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000798498735 932674001 /nfs/dbraw/zinc/67/40/01/932674001.db2.gz YSFISDMEAKPVJL-QHCPKHFHSA-N 2 1 387.568 3.745 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798934499 932821864 /nfs/dbraw/zinc/82/18/64/932821864.db2.gz HCOZRMJTRTXRHK-YADARESESA-N 2 1 396.531 3.801 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934499 932821870 /nfs/dbraw/zinc/82/18/70/932821870.db2.gz HCOZRMJTRTXRHK-YADARESESA-N 2 1 396.531 3.801 20 0 GHADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000798934047 932822844 /nfs/dbraw/zinc/82/28/44/932822844.db2.gz BQJDRDNHZGEVTF-XXBNENTESA-N 2 1 375.520 3.830 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1 ZINC000799139305 932886071 /nfs/dbraw/zinc/88/60/71/932886071.db2.gz NVPGMDVVBSKQMW-KNQAVFIVSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1 ZINC000799139305 932886075 /nfs/dbraw/zinc/88/60/75/932886075.db2.gz NVPGMDVVBSKQMW-KNQAVFIVSA-N 2 1 387.568 3.697 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1 ZINC000799139305 932886077 /nfs/dbraw/zinc/88/60/77/932886077.db2.gz NVPGMDVVBSKQMW-KNQAVFIVSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCCN(c4ccccc4Cl)C3=O)C2)CC1 ZINC000799177480 932899589 /nfs/dbraw/zinc/89/95/89/932899589.db2.gz SMJWNQVQTVOJOL-IBGZPJMESA-N 2 1 375.944 3.643 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccccc3SC(F)F)C2)CC1 ZINC000799178444 932900921 /nfs/dbraw/zinc/90/09/21/932900921.db2.gz SNNCODRZWGIQNE-UHFFFAOYSA-N 2 1 383.508 3.748 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccccc3SC(F)F)C2)CC1 ZINC000799178444 932900923 /nfs/dbraw/zinc/90/09/23/932900923.db2.gz SNNCODRZWGIQNE-UHFFFAOYSA-N 2 1 383.508 3.748 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)C2)CC1 ZINC000799178468 932901051 /nfs/dbraw/zinc/90/10/51/932901051.db2.gz SYXYZILORADXRE-UHFFFAOYSA-N 2 1 378.944 3.852 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[C@H]1n1cccn1 ZINC000559923566 932958585 /nfs/dbraw/zinc/95/85/85/932958585.db2.gz MOPAAOXOBTYXSD-JTPDYBDNSA-N 2 1 382.552 3.634 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000560119762 933077512 /nfs/dbraw/zinc/07/75/12/933077512.db2.gz HIAKLWSOHAEXJR-UHFFFAOYSA-N 2 1 399.510 3.650 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000560618659 933394663 /nfs/dbraw/zinc/39/46/63/933394663.db2.gz IXWRJOVZAOMXDC-QHCPKHFHSA-N 2 1 395.547 3.957 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000561046165 933816703 /nfs/dbraw/zinc/81/67/03/933816703.db2.gz TYNDKOPWELIYBA-PMACEKPBSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000561046165 933816710 /nfs/dbraw/zinc/81/67/10/933816710.db2.gz TYNDKOPWELIYBA-PMACEKPBSA-N 2 1 384.911 3.553 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)CC1 ZINC001116904837 933821388 /nfs/dbraw/zinc/82/13/88/933821388.db2.gz FZXIJAMJSFQCIV-MRXNPFEDSA-N 2 1 387.351 3.541 20 0 GHADMP CC1CC[NH+](CCc2nnc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)o2)CC1 ZINC001117221673 933894817 /nfs/dbraw/zinc/89/48/17/933894817.db2.gz JSCMDQKNGWENAE-IBGZPJMESA-N 2 1 386.515 3.863 20 0 GHADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC001118057719 934084102 /nfs/dbraw/zinc/08/41/02/934084102.db2.gz GPPANYFUKQDNNX-ZIAGYGMSSA-N 2 1 377.554 3.708 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001149079796 934115778 /nfs/dbraw/zinc/11/57/78/934115778.db2.gz MVMIJYSYEFCIBG-SFTDATJTSA-N 2 1 383.580 3.905 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)C(C)(C)CN1C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001149079796 934115796 /nfs/dbraw/zinc/11/57/96/934115796.db2.gz MVMIJYSYEFCIBG-SFTDATJTSA-N 2 1 383.580 3.905 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)c2)cc1 ZINC000561396240 934116895 /nfs/dbraw/zinc/11/68/95/934116895.db2.gz XOUXINXOTACEKH-OFNKIYASSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2)cc1 ZINC000561396240 934116902 /nfs/dbraw/zinc/11/69/02/934116902.db2.gz XOUXINXOTACEKH-OFNKIYASSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c2)cc1 ZINC000561396240 934116910 /nfs/dbraw/zinc/11/69/10/934116910.db2.gz XOUXINXOTACEKH-OFNKIYASSA-N 2 1 393.531 3.864 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)c2c1C ZINC000561434184 934156468 /nfs/dbraw/zinc/15/64/68/934156468.db2.gz CZTNUILGTZXQOY-FUHWJXTLSA-N 2 1 399.608 3.967 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H]([NH+]4CCCC4)[C@H]3C)c2c1C ZINC000561434182 934156634 /nfs/dbraw/zinc/15/66/34/934156634.db2.gz CZTNUILGTZXQOY-AEFFLSMTSA-N 2 1 399.608 3.967 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC001120520221 934469546 /nfs/dbraw/zinc/46/95/46/934469546.db2.gz SYJJMZDXTJRPSS-FQUZAXHOSA-N 2 1 394.559 3.678 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000562012118 934631204 /nfs/dbraw/zinc/63/12/04/934631204.db2.gz ARWOMJPVNCXZPW-IPJJNNNSSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(-n2ccnn2)c1 ZINC000562012118 934631205 /nfs/dbraw/zinc/63/12/05/934631205.db2.gz ARWOMJPVNCXZPW-IPJJNNNSSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc(-n2ccnn2)c1 ZINC000562024637 934641009 /nfs/dbraw/zinc/64/10/09/934641009.db2.gz LVZXHDNOVXOYTD-QZTJIDSGSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccc(-n2ccnn2)c1 ZINC000562024637 934641014 /nfs/dbraw/zinc/64/10/14/934641014.db2.gz LVZXHDNOVXOYTD-QZTJIDSGSA-N 2 1 381.549 3.892 20 0 GHADMP CCn1c([C@H]2CCCC[N@H+]2C2CCCC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001121891245 934785994 /nfs/dbraw/zinc/78/59/94/934785994.db2.gz VVUXYUYYENIXAN-HXUWFJFHSA-N 2 1 388.604 3.734 20 0 GHADMP Fc1cccc2c1OCC[NH+](CCCC[N@H+]1CCOc3c(F)cccc3C1)C2 ZINC000562425251 934859312 /nfs/dbraw/zinc/85/93/12/934859312.db2.gz JLWJETXSGVIKDU-UHFFFAOYSA-N 2 1 388.458 3.834 20 0 GHADMP Fc1cccc2c1OCC[NH+](CCCC[N@@H+]1CCOc3c(F)cccc3C1)C2 ZINC000562425251 934859318 /nfs/dbraw/zinc/85/93/18/934859318.db2.gz JLWJETXSGVIKDU-UHFFFAOYSA-N 2 1 388.458 3.834 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828297011 935607751 /nfs/dbraw/zinc/60/77/51/935607751.db2.gz SDQSGPQXCFHHAR-QIJUGHKUSA-N 2 1 385.552 3.640 20 0 GHADMP Brc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001137692207 935722481 /nfs/dbraw/zinc/72/24/81/935722481.db2.gz GRFUGWJMTRCEDP-UHFFFAOYSA-N 2 1 390.325 3.925 20 0 GHADMP CCC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)CC[N@H+]1Cc1ccccc1 ZINC001137819200 935806356 /nfs/dbraw/zinc/80/63/56/935806356.db2.gz MSFAAVZSLHGCAF-MLDBQTBOSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000829589163 935831718 /nfs/dbraw/zinc/83/17/18/935831718.db2.gz TYZFLPCATQVESG-UHFFFAOYSA-N 2 1 396.579 3.596 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000829589163 935831721 /nfs/dbraw/zinc/83/17/21/935831721.db2.gz TYZFLPCATQVESG-UHFFFAOYSA-N 2 1 396.579 3.596 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NCCCC[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC001220704153 1032072861 /nfs/dbraw/zinc/07/28/61/1032072861.db2.gz IKRXXZYCBJGUPL-IFMALSPDSA-N 2 1 386.584 3.523 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCCCC[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001220704153 1032072884 /nfs/dbraw/zinc/07/28/84/1032072884.db2.gz IKRXXZYCBJGUPL-IFMALSPDSA-N 2 1 386.584 3.523 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCCC[NH+]3CCCC[C@H]3C)C2)cc1 ZINC001220704153 1032072903 /nfs/dbraw/zinc/07/29/03/1032072903.db2.gz IKRXXZYCBJGUPL-IFMALSPDSA-N 2 1 386.584 3.523 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468030709 1015169006 /nfs/dbraw/zinc/16/90/06/1015169006.db2.gz RAGVZHOMTIHMBY-RBBKRZOGSA-N 2 1 388.600 3.878 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)c1ccccc1 ZINC001220803172 1032127029 /nfs/dbraw/zinc/12/70/29/1032127029.db2.gz CKUNHJCTHAUREH-KSZLIROESA-N 2 1 385.474 3.506 20 0 GHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cccc21 ZINC000468873740 1016150555 /nfs/dbraw/zinc/15/05/55/1016150555.db2.gz GBJVPMUOMRODIT-RTWAWAEBSA-N 2 1 379.504 3.675 20 0 GHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cccc21 ZINC000468873740 1016150560 /nfs/dbraw/zinc/15/05/60/1016150560.db2.gz GBJVPMUOMRODIT-RTWAWAEBSA-N 2 1 379.504 3.675 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000469117099 1016509833 /nfs/dbraw/zinc/50/98/33/1016509833.db2.gz XGRXMHTYKINPMQ-KGVIQGDOSA-N 2 1 378.520 3.725 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Br)c2C)[C@H](C)C1 ZINC000469793621 1016619701 /nfs/dbraw/zinc/61/97/01/1016619701.db2.gz HOVDWRKUYCJYSP-DNVCBOLYSA-N 2 1 383.374 3.984 20 0 GHADMP C[C@@H]([N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000470549988 1016818944 /nfs/dbraw/zinc/81/89/44/1016818944.db2.gz SNOPQSNDJMXBEV-LJQANCHMSA-N 2 1 381.568 3.665 20 0 GHADMP C[C@@H]([N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000470549988 1016818961 /nfs/dbraw/zinc/81/89/61/1016818961.db2.gz SNOPQSNDJMXBEV-LJQANCHMSA-N 2 1 381.568 3.665 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000470602470 1016829938 /nfs/dbraw/zinc/82/99/38/1016829938.db2.gz SVSIQBKINMNWCC-OALUTQOASA-N 2 1 397.485 3.831 20 0 GHADMP CC[N@@H+](CCCC(=O)NCc1ccccc1C[NH3+])[C@H](C)Cc1ccc(OC)cc1 ZINC001220855180 1032153464 /nfs/dbraw/zinc/15/34/64/1032153464.db2.gz PBWCJLZIAVRKDK-LJQANCHMSA-N 2 1 397.563 3.503 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC001220883138 1032172252 /nfs/dbraw/zinc/17/22/52/1032172252.db2.gz IXTYBAPIOQVRNM-UHFFFAOYSA-N 2 1 394.563 3.553 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC001220883138 1032172256 /nfs/dbraw/zinc/17/22/56/1032172256.db2.gz IXTYBAPIOQVRNM-UHFFFAOYSA-N 2 1 394.563 3.553 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC001220883138 1032172261 /nfs/dbraw/zinc/17/22/61/1032172261.db2.gz IXTYBAPIOQVRNM-UHFFFAOYSA-N 2 1 394.563 3.553 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(CC2CCC2)CC[NH2+]CC1 ZINC001221013537 1032236728 /nfs/dbraw/zinc/23/67/28/1032236728.db2.gz QYVGKIXBBOAYKH-JOCHJYFZSA-N 2 1 397.607 3.963 20 0 GHADMP C[N@@H+](CCNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1)C1CCCC1 ZINC001227105773 1032272641 /nfs/dbraw/zinc/27/26/41/1032272641.db2.gz ARONHLVYZVAEBZ-UHFFFAOYSA-N 2 1 398.595 3.658 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C[C@@H]1C ZINC001221101174 1032287331 /nfs/dbraw/zinc/28/73/31/1032287331.db2.gz PGHBFPRCPWKGEJ-ZWOKBUDYSA-N 2 1 392.975 3.601 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001227383346 1032397987 /nfs/dbraw/zinc/39/79/87/1032397987.db2.gz LLOZXIALUFAGBG-UHFFFAOYSA-N 2 1 388.600 3.840 20 0 GHADMP CCCC[N@@H+](CC)[C@@H](C(=O)N[C@@H](C[NH3+])c1cccc(OC)c1)c1ccccc1 ZINC001221404341 1032400113 /nfs/dbraw/zinc/40/01/13/1032400113.db2.gz HOCIXFSKRCHTFV-FCHUYYIVSA-N 2 1 383.536 3.675 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@]3(F)CCCC[NH2+]C3)c2c1C ZINC001155117118 1032421491 /nfs/dbraw/zinc/42/14/91/1032421491.db2.gz CXWGXMGCDWAQOA-HXUWFJFHSA-N 2 1 391.560 3.798 20 0 GHADMP c1cc2ccnc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2o1 ZINC001155357287 1032516398 /nfs/dbraw/zinc/51/63/98/1032516398.db2.gz DAZVCTIOAUWEPG-HXUWFJFHSA-N 2 1 376.504 3.742 20 0 GHADMP Cc1nc(Cl)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1C ZINC001155358004 1032516894 /nfs/dbraw/zinc/51/68/94/1032516894.db2.gz MDPGFTQRNJTBIU-LJQANCHMSA-N 2 1 399.970 3.661 20 0 GHADMP Cc1nc(Cl)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1C ZINC001155358003 1032516985 /nfs/dbraw/zinc/51/69/85/1032516985.db2.gz MDPGFTQRNJTBIU-IBGZPJMESA-N 2 1 399.970 3.661 20 0 GHADMP c1cc2c(ccnc2NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)o1 ZINC001155359255 1032517910 /nfs/dbraw/zinc/51/79/10/1032517910.db2.gz ZICZNBIUNARLJX-LJQANCHMSA-N 2 1 376.504 3.742 20 0 GHADMP CSc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155362489 1032518759 /nfs/dbraw/zinc/51/87/59/1032518759.db2.gz SIHBVWFGHQHUHQ-IBGZPJMESA-N 2 1 382.577 3.717 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cc(C4CCC4)ncn3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155362514 1032518916 /nfs/dbraw/zinc/51/89/16/1032518916.db2.gz SRMAZQGETRKAEY-NRFANRHFSA-N 2 1 391.563 3.658 20 0 GHADMP CC(C)Oc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155363862 1032520049 /nfs/dbraw/zinc/52/00/49/1032520049.db2.gz NTYZDIGULICIIG-OAQYLSRUSA-N 2 1 394.563 3.783 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001221794392 1032537393 /nfs/dbraw/zinc/53/73/93/1032537393.db2.gz LJEBVHVNKMZSQW-JOCHJYFZSA-N 2 1 395.551 3.701 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC001221794848 1032538043 /nfs/dbraw/zinc/53/80/43/1032538043.db2.gz YOJCPSISYGICOR-JTHBVZDNSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001221794848 1032538051 /nfs/dbraw/zinc/53/80/51/1032538051.db2.gz YOJCPSISYGICOR-JTHBVZDNSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001221794848 1032538059 /nfs/dbraw/zinc/53/80/59/1032538059.db2.gz YOJCPSISYGICOR-JTHBVZDNSA-N 2 1 386.584 3.605 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1nc(N3CCCC3)c(C)c[nH+]1)CC21CC[NH2+]CC1 ZINC001155430596 1032539304 /nfs/dbraw/zinc/53/93/04/1032539304.db2.gz IAIPXNHZLFZSBU-HXUWFJFHSA-N 2 1 377.536 3.872 20 0 GHADMP COc1cccc(OC)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001204248719 1032688165 /nfs/dbraw/zinc/68/81/65/1032688165.db2.gz FXPZVYPGMUGUJL-UHFFFAOYSA-N 2 1 396.531 3.571 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001204266189 1032710127 /nfs/dbraw/zinc/71/01/27/1032710127.db2.gz UJQXGSDRWQOLPE-OYRHEFFESA-N 2 1 399.604 3.642 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001204266189 1032710137 /nfs/dbraw/zinc/71/01/37/1032710137.db2.gz UJQXGSDRWQOLPE-OYRHEFFESA-N 2 1 399.604 3.642 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)cc1 ZINC001204266189 1032710151 /nfs/dbraw/zinc/71/01/51/1032710151.db2.gz UJQXGSDRWQOLPE-OYRHEFFESA-N 2 1 399.604 3.642 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(Oc4cccc(F)c4)cc3)C2)nn1 ZINC000560979720 1017769096 /nfs/dbraw/zinc/76/90/96/1017769096.db2.gz RLRVQZDBIBKAOO-LJQANCHMSA-N 2 1 381.455 3.505 20 0 GHADMP C[N@@H+](CCC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000561282233 1017829710 /nfs/dbraw/zinc/82/97/10/1017829710.db2.gz QNEITYYJVGSOCY-DEOSSOPVSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+](CCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000561282233 1017829729 /nfs/dbraw/zinc/82/97/29/1017829729.db2.gz QNEITYYJVGSOCY-DEOSSOPVSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+](CCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000561282233 1017829760 /nfs/dbraw/zinc/82/97/60/1017829760.db2.gz QNEITYYJVGSOCY-DEOSSOPVSA-N 2 1 383.580 3.766 20 0 GHADMP C[N@@H+](CCC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000561282237 1017830047 /nfs/dbraw/zinc/83/00/47/1017830047.db2.gz QNEITYYJVGSOCY-XMMPIXPASA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+](CCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000561282237 1017830057 /nfs/dbraw/zinc/83/00/57/1017830057.db2.gz QNEITYYJVGSOCY-XMMPIXPASA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+](CCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCCCC1 ZINC000561282237 1017830069 /nfs/dbraw/zinc/83/00/69/1017830069.db2.gz QNEITYYJVGSOCY-XMMPIXPASA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cnc(-c3ccco3)s2)c2cccs2)CC1 ZINC000569413242 1019484787 /nfs/dbraw/zinc/48/47/87/1019484787.db2.gz HJBCWTVNIYEHHC-MRXNPFEDSA-N 2 1 388.562 3.543 20 0 GHADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000570190007 1019566691 /nfs/dbraw/zinc/56/66/91/1019566691.db2.gz XFRTXUYNSNOHLP-FQEVSTJZSA-N 2 1 379.504 3.881 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415981 1032845377 /nfs/dbraw/zinc/84/53/77/1032845377.db2.gz PVYMCAPRKZLTSM-LJQANCHMSA-N 2 1 386.458 3.908 20 0 GHADMP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000577449632 1020189400 /nfs/dbraw/zinc/18/94/00/1020189400.db2.gz NRDQZBSXZCCTTH-UNMCSNQZSA-N 2 1 399.966 3.628 20 0 GHADMP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000577449632 1020189411 /nfs/dbraw/zinc/18/94/11/1020189411.db2.gz NRDQZBSXZCCTTH-UNMCSNQZSA-N 2 1 399.966 3.628 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000577493046 1020210762 /nfs/dbraw/zinc/21/07/62/1020210762.db2.gz UZNZFFFMBSHSCU-CYBMUJFWSA-N 2 1 375.365 3.773 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000578319563 1020343476 /nfs/dbraw/zinc/34/34/76/1020343476.db2.gz QIKMSSFRNGXDCY-WZONZLPQSA-N 2 1 377.532 3.564 20 0 GHADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753483 1020358484 /nfs/dbraw/zinc/35/84/84/1020358484.db2.gz XXUPYBPVMCEASQ-HSZRJFAPSA-N 2 1 381.564 3.582 20 0 GHADMP COc1ccc([C@H](C[NH3+])CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753483 1020358498 /nfs/dbraw/zinc/35/84/98/1020358498.db2.gz XXUPYBPVMCEASQ-HSZRJFAPSA-N 2 1 381.564 3.582 20 0 GHADMP COc1ccc([C@H](C[NH3+])CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753483 1020358510 /nfs/dbraw/zinc/35/85/10/1020358510.db2.gz XXUPYBPVMCEASQ-HSZRJFAPSA-N 2 1 381.564 3.582 20 0 GHADMP Oc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c21 ZINC001140233728 1021208204 /nfs/dbraw/zinc/20/82/04/1021208204.db2.gz IRTRBYNNZPJUIK-UHFFFAOYSA-N 2 1 397.544 3.802 20 0 GHADMP Oc1cccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c21 ZINC001140233728 1021208213 /nfs/dbraw/zinc/20/82/13/1021208213.db2.gz IRTRBYNNZPJUIK-UHFFFAOYSA-N 2 1 397.544 3.802 20 0 GHADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000834501483 1021227850 /nfs/dbraw/zinc/22/78/50/1021227850.db2.gz BREQODMNUJMJQI-BDTNDASRSA-N 2 1 385.552 3.640 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834523501 1021244992 /nfs/dbraw/zinc/24/49/92/1021244992.db2.gz VVPPKWCRTIANOY-OALUTQOASA-N 2 1 399.539 3.843 20 0 GHADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000834578346 1021279063 /nfs/dbraw/zinc/27/90/63/1021279063.db2.gz MBWJIQOTIAAGIK-JLLPCOHGSA-N 2 1 380.532 3.761 20 0 GHADMP Clc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCO1 ZINC000834586034 1021282932 /nfs/dbraw/zinc/28/29/32/1021282932.db2.gz XTNGBHPOMDLEMQ-BVSLBCMMSA-N 2 1 392.971 3.663 20 0 GHADMP Nc1ncc(-c2ccccc2C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC001140324558 1021402049 /nfs/dbraw/zinc/40/20/49/1021402049.db2.gz WOKGHVKWCOGQDX-RUZDIDTESA-N 2 1 399.542 3.824 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC001140324558 1021402060 /nfs/dbraw/zinc/40/20/60/1021402060.db2.gz WOKGHVKWCOGQDX-RUZDIDTESA-N 2 1 399.542 3.824 20 0 GHADMP Nc1ncc(-c2ccccc2C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC001140324558 1021402071 /nfs/dbraw/zinc/40/20/71/1021402071.db2.gz WOKGHVKWCOGQDX-RUZDIDTESA-N 2 1 399.542 3.824 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1)CC(C)C ZINC000801526838 1021406230 /nfs/dbraw/zinc/40/62/30/1021406230.db2.gz YLLIJLUHABUTPN-UHFFFAOYSA-N 2 1 381.996 3.776 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1)CC(C)C ZINC000801526838 1021406234 /nfs/dbraw/zinc/40/62/34/1021406234.db2.gz YLLIJLUHABUTPN-UHFFFAOYSA-N 2 1 381.996 3.776 20 0 GHADMP c1[nH]nc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)cc12 ZINC001140386455 1021540671 /nfs/dbraw/zinc/54/06/71/1021540671.db2.gz OQRQUQACVZENQN-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)cc12 ZINC001140386455 1021540685 /nfs/dbraw/zinc/54/06/85/1021540685.db2.gz OQRQUQACVZENQN-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP Fc1ccccc1-c1ncc(C[N@@H+]2C[C@@H]3C[C@@H](CN(Cc4ccco4)C3)C2)cn1 ZINC001140398523 1021561259 /nfs/dbraw/zinc/56/12/59/1021561259.db2.gz DWSDJAGPAUYPHR-HDICACEKSA-N 2 1 392.478 3.830 20 0 GHADMP C[C@H](CC1CCOCC1)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000678775457 1021925503 /nfs/dbraw/zinc/92/55/03/1021925503.db2.gz SOGKJOQHDBSKLS-QHAWAJNXSA-N 2 1 388.596 3.991 20 0 GHADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000679544163 1022011338 /nfs/dbraw/zinc/01/13/38/1022011338.db2.gz GRRUXHIZNNIYCC-APWZRJJASA-N 2 1 397.485 3.561 20 0 GHADMP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000679544163 1022011357 /nfs/dbraw/zinc/01/13/57/1022011357.db2.gz GRRUXHIZNNIYCC-APWZRJJASA-N 2 1 397.485 3.561 20 0 GHADMP Cn1c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nc2cccc(Cl)c21 ZINC000681367084 1022284186 /nfs/dbraw/zinc/28/41/86/1022284186.db2.gz UXXGSRPQFOUQOR-UHFFFAOYSA-N 2 1 398.938 3.991 20 0 GHADMP Nc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001140715395 1022348634 /nfs/dbraw/zinc/34/86/34/1022348634.db2.gz PRHGQFSQKRSGES-UHFFFAOYSA-N 2 1 385.939 3.789 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390836917 1022378387 /nfs/dbraw/zinc/37/83/87/1022378387.db2.gz ABSAUNXHJFRYGX-UXHICEINSA-N 2 1 387.568 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000390836917 1022378399 /nfs/dbraw/zinc/37/83/99/1022378399.db2.gz ABSAUNXHJFRYGX-UXHICEINSA-N 2 1 387.568 3.886 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC001204762196 1033074892 /nfs/dbraw/zinc/07/48/92/1033074892.db2.gz AOLRHQZZQDCGBE-UHFFFAOYSA-N 2 1 378.948 3.612 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001204763938 1033076693 /nfs/dbraw/zinc/07/66/93/1033076693.db2.gz UBBVCZVZPMERSN-JOCHJYFZSA-N 2 1 377.532 3.942 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC001204763938 1033076706 /nfs/dbraw/zinc/07/67/06/1033076706.db2.gz UBBVCZVZPMERSN-JOCHJYFZSA-N 2 1 377.532 3.942 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001140969125 1023033231 /nfs/dbraw/zinc/03/32/31/1023033231.db2.gz VJCUHJBGAKWZTK-RUZDIDTESA-N 2 1 386.543 3.845 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001140969125 1023033245 /nfs/dbraw/zinc/03/32/45/1023033245.db2.gz VJCUHJBGAKWZTK-RUZDIDTESA-N 2 1 386.543 3.845 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001140970982 1023041288 /nfs/dbraw/zinc/04/12/88/1023041288.db2.gz CANXTGAUXVKMLP-JOCHJYFZSA-N 2 1 385.552 3.868 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001140970982 1023041292 /nfs/dbraw/zinc/04/12/92/1023041292.db2.gz CANXTGAUXVKMLP-JOCHJYFZSA-N 2 1 385.552 3.868 20 0 GHADMP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001204916637 1033164131 /nfs/dbraw/zinc/16/41/31/1033164131.db2.gz YTBZYWUAALCJEV-RANZSIQMSA-N 2 1 379.439 3.524 20 0 GHADMP CC1(C)CC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC001141298674 1024447063 /nfs/dbraw/zinc/44/70/63/1024447063.db2.gz BKTAAMADDLUWRT-LJQANCHMSA-N 2 1 375.532 3.606 20 0 GHADMP CC1(C)CC(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)CC(C)(C)[NH2+]1 ZINC001141298674 1024447071 /nfs/dbraw/zinc/44/70/71/1024447071.db2.gz BKTAAMADDLUWRT-LJQANCHMSA-N 2 1 375.532 3.606 20 0 GHADMP COC(=O)c1ccc2c(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c[nH]c2c1 ZINC001138266322 1024503452 /nfs/dbraw/zinc/50/34/52/1024503452.db2.gz PXJKBCKEGFEMMY-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1ccc2c(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c[nH]c2c1 ZINC001138266322 1024503470 /nfs/dbraw/zinc/50/34/70/1024503470.db2.gz PXJKBCKEGFEMMY-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1ccc2c(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c[nH]c2c1 ZINC001138266322 1024503477 /nfs/dbraw/zinc/50/34/77/1024503477.db2.gz PXJKBCKEGFEMMY-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)s1 ZINC001138272757 1024518870 /nfs/dbraw/zinc/51/88/70/1024518870.db2.gz OQNTUUJHPITYHV-OLZOCXBDSA-N 2 1 384.471 3.551 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)s1 ZINC001138272757 1024518875 /nfs/dbraw/zinc/51/88/75/1024518875.db2.gz OQNTUUJHPITYHV-OLZOCXBDSA-N 2 1 384.471 3.551 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)s1 ZINC001138272757 1024518882 /nfs/dbraw/zinc/51/88/82/1024518882.db2.gz OQNTUUJHPITYHV-OLZOCXBDSA-N 2 1 384.471 3.551 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001138371703 1024735888 /nfs/dbraw/zinc/73/58/88/1024735888.db2.gz DHBJOEAPHCODRA-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)cc1 ZINC001141413268 1024933164 /nfs/dbraw/zinc/93/31/64/1024933164.db2.gz MMADMMGILHPDOE-ZRZAMGCNSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)cc1 ZINC001141413268 1024933172 /nfs/dbraw/zinc/93/31/72/1024933172.db2.gz MMADMMGILHPDOE-ZRZAMGCNSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)cc1 ZINC001141413268 1024933178 /nfs/dbraw/zinc/93/31/78/1024933178.db2.gz MMADMMGILHPDOE-ZRZAMGCNSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)cc1 ZINC001141413268 1024933184 /nfs/dbraw/zinc/93/31/84/1024933184.db2.gz MMADMMGILHPDOE-ZRZAMGCNSA-N 2 1 392.543 3.808 20 0 GHADMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138516020 1024955000 /nfs/dbraw/zinc/95/50/00/1024955000.db2.gz FINFQPFWRQOQJL-UHFFFAOYSA-N 2 1 384.520 3.679 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138516020 1024955008 /nfs/dbraw/zinc/95/50/08/1024955008.db2.gz FINFQPFWRQOQJL-UHFFFAOYSA-N 2 1 384.520 3.679 20 0 GHADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)s1 ZINC001138524832 1024964867 /nfs/dbraw/zinc/96/48/67/1024964867.db2.gz BRTVDBKTMTZKNA-DXIQSLLYSA-N 2 1 399.608 3.667 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)s1 ZINC001138524832 1024964868 /nfs/dbraw/zinc/96/48/68/1024964868.db2.gz BRTVDBKTMTZKNA-DXIQSLLYSA-N 2 1 399.608 3.667 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)s1 ZINC001138524832 1024964871 /nfs/dbraw/zinc/96/48/71/1024964871.db2.gz BRTVDBKTMTZKNA-DXIQSLLYSA-N 2 1 399.608 3.667 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)s1 ZINC001138524832 1024964875 /nfs/dbraw/zinc/96/48/75/1024964875.db2.gz BRTVDBKTMTZKNA-DXIQSLLYSA-N 2 1 399.608 3.667 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)cc1 ZINC001138549609 1024997130 /nfs/dbraw/zinc/99/71/30/1024997130.db2.gz AGBISLGQESWWBC-OAQYLSRUSA-N 2 1 392.478 3.714 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)cc1 ZINC001138549609 1024997136 /nfs/dbraw/zinc/99/71/36/1024997136.db2.gz AGBISLGQESWWBC-OAQYLSRUSA-N 2 1 392.478 3.714 20 0 GHADMP C[NH+](C)CCc1ccc(Nc2ccc(C3(N4CC[NH+](C)CC4)CC3)cc2)cc1 ZINC001205120310 1033264766 /nfs/dbraw/zinc/26/47/66/1033264766.db2.gz OJMYOIAUMJKWLT-UHFFFAOYSA-N 2 1 378.564 3.771 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771997 1025341875 /nfs/dbraw/zinc/34/18/75/1025341875.db2.gz LTULAVKSCRGCNM-BJKOFHAPSA-N 2 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771997 1025341889 /nfs/dbraw/zinc/34/18/89/1025341889.db2.gz LTULAVKSCRGCNM-BJKOFHAPSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771997 1025341905 /nfs/dbraw/zinc/34/19/05/1025341905.db2.gz LTULAVKSCRGCNM-BJKOFHAPSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771997 1025341920 /nfs/dbraw/zinc/34/19/20/1025341920.db2.gz LTULAVKSCRGCNM-BJKOFHAPSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138771997 1025341936 /nfs/dbraw/zinc/34/19/36/1025341936.db2.gz LTULAVKSCRGCNM-BJKOFHAPSA-N 3 1 393.575 3.581 20 0 GHADMP C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772787 1025343296 /nfs/dbraw/zinc/34/32/96/1025343296.db2.gz BYBVPDBGGXCFFW-HKUYNNGSSA-N 2 1 391.556 3.505 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257105 1025377817 /nfs/dbraw/zinc/37/78/17/1025377817.db2.gz DBELWGBNKAKGEQ-VQTJNVASSA-N 2 1 390.572 3.941 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257105 1025377833 /nfs/dbraw/zinc/37/78/33/1025377833.db2.gz DBELWGBNKAKGEQ-VQTJNVASSA-N 2 1 390.572 3.941 20 0 GHADMP OCCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001138803347 1025392565 /nfs/dbraw/zinc/39/25/65/1025392565.db2.gz RTRSVDLFWLLMID-DEOSSOPVSA-N 2 1 380.532 3.546 20 0 GHADMP OCCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001138803347 1025392579 /nfs/dbraw/zinc/39/25/79/1025392579.db2.gz RTRSVDLFWLLMID-DEOSSOPVSA-N 2 1 380.532 3.546 20 0 GHADMP OCCOc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001138803347 1025392589 /nfs/dbraw/zinc/39/25/89/1025392589.db2.gz RTRSVDLFWLLMID-DEOSSOPVSA-N 2 1 380.532 3.546 20 0 GHADMP OCCOc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001138803347 1025392603 /nfs/dbraw/zinc/39/26/03/1025392603.db2.gz RTRSVDLFWLLMID-DEOSSOPVSA-N 2 1 380.532 3.546 20 0 GHADMP Clc1ccc(CC2(CNc3nc(N4CCCC4)cc[nH+]3)CC[NH2+]CC2)cc1 ZINC001161989565 1025522864 /nfs/dbraw/zinc/52/28/64/1025522864.db2.gz DOABBMKDCAZXBQ-UHFFFAOYSA-N 2 1 385.943 3.755 20 0 GHADMP Cn1ccc2c1nc[nH+]c2NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC001162048534 1025562923 /nfs/dbraw/zinc/56/29/23/1025562923.db2.gz ACAIAXJUCRWFGH-UHFFFAOYSA-N 2 1 389.425 3.764 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1C ZINC001141575062 1025638349 /nfs/dbraw/zinc/63/83/49/1025638349.db2.gz NLBXZVXHIXCKCS-KRWDZBQOSA-N 2 1 396.579 3.650 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2Cc3ccccc3C[C@@H]2C)c1C ZINC001141575062 1025638351 /nfs/dbraw/zinc/63/83/51/1025638351.db2.gz NLBXZVXHIXCKCS-KRWDZBQOSA-N 2 1 396.579 3.650 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]C/C=C\c2ccc(F)cc2F)[C@@H](c2ccccc2)C1 ZINC001461034066 1069349044 /nfs/dbraw/zinc/34/90/44/1069349044.db2.gz DLQQKZXECJZPOT-YNCGVASMSA-N 2 1 385.502 3.946 20 0 GHADMP CCn1ccc2ccc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COC)C3)cc21 ZINC001139121778 1025933764 /nfs/dbraw/zinc/93/37/64/1025933764.db2.gz BHAIZPMYBYPUDM-UPVQGACJSA-N 2 1 381.564 3.842 20 0 GHADMP CCn1ccc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)cc21 ZINC001139121778 1025933766 /nfs/dbraw/zinc/93/37/66/1025933766.db2.gz BHAIZPMYBYPUDM-UPVQGACJSA-N 2 1 381.564 3.842 20 0 GHADMP CCn1ccc2ccc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)cc21 ZINC001139121778 1025933772 /nfs/dbraw/zinc/93/37/72/1025933772.db2.gz BHAIZPMYBYPUDM-UPVQGACJSA-N 2 1 381.564 3.842 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001162881027 1025951621 /nfs/dbraw/zinc/95/16/21/1025951621.db2.gz SOFMLARKVOJTEL-MONBJTKQSA-N 2 1 380.536 3.665 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(-c4ccccn4)n[nH]3)cc2)C1 ZINC001461045740 1069357934 /nfs/dbraw/zinc/35/79/34/1069357934.db2.gz YPMIIHRLKOCUMP-SFHVURJKSA-N 2 1 375.520 3.993 20 0 GHADMP c1noc2c1cccc2NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941245 1025977283 /nfs/dbraw/zinc/97/72/83/1025977283.db2.gz SNRQSULGNYBQHZ-HXUWFJFHSA-N 2 1 376.504 3.742 20 0 GHADMP CCc1cc(NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)nc(C)[nH+]1 ZINC001162948221 1025980620 /nfs/dbraw/zinc/98/06/20/1025980620.db2.gz BQFGDCUTCKNDSC-QZTJIDSGSA-N 2 1 382.552 3.969 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(NCC[C@@H]3C[NH2+]Cc4cccn4C3)c(C)c2)CC1 ZINC001163056184 1026029169 /nfs/dbraw/zinc/02/91/69/1026029169.db2.gz NSXROBMRUKQUKN-LJQANCHMSA-N 2 1 379.552 3.522 20 0 GHADMP COc1ccc([C@@H](O)C[N@@H+](CCn2ccnc2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839645427 1026155224 /nfs/dbraw/zinc/15/52/24/1026155224.db2.gz BQORMRJTHKJWHV-DVECYGJZSA-N 2 1 393.531 3.867 20 0 GHADMP COc1ccc([C@@H](O)C[N@H+](CCn2cc[nH+]c2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839645427 1026155237 /nfs/dbraw/zinc/15/52/37/1026155237.db2.gz BQORMRJTHKJWHV-DVECYGJZSA-N 2 1 393.531 3.867 20 0 GHADMP COc1ccc([C@@H](O)C[N@@H+](CCn2cc[nH+]c2C)[C@H](C)Cc2ccccc2)cc1 ZINC000839645427 1026155246 /nfs/dbraw/zinc/15/52/46/1026155246.db2.gz BQORMRJTHKJWHV-DVECYGJZSA-N 2 1 393.531 3.867 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](Nc2ncnc3c2CC[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC001163363392 1026160183 /nfs/dbraw/zinc/16/01/83/1026160183.db2.gz QOJZHLZXEYZNBT-RXVVDRJESA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@H](Nc2ncnc3c2CC[NH+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC001163363392 1026160192 /nfs/dbraw/zinc/16/01/92/1026160192.db2.gz QOJZHLZXEYZNBT-RXVVDRJESA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[NH+]1CC[C@H](Nc2ncnc3c2CC[N@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC001163363392 1026160201 /nfs/dbraw/zinc/16/02/01/1026160201.db2.gz QOJZHLZXEYZNBT-RXVVDRJESA-N 2 1 379.552 3.566 20 0 GHADMP CC(C)[NH+]1CC[C@H](Nc2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)[C@@H](C)C1 ZINC001163363392 1026160208 /nfs/dbraw/zinc/16/02/08/1026160208.db2.gz QOJZHLZXEYZNBT-RXVVDRJESA-N 2 1 379.552 3.566 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccccc1-n1cncn1)CC2 ZINC001139419423 1026290591 /nfs/dbraw/zinc/29/05/91/1026290591.db2.gz KDDIDXNWIWYTHZ-JOCHJYFZSA-N 2 1 391.519 3.737 20 0 GHADMP CC1(C)COCC[N@@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513154 1026368298 /nfs/dbraw/zinc/36/82/98/1026368298.db2.gz NIUNVTGMZXUGSX-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP CC1(C)COCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513154 1026368305 /nfs/dbraw/zinc/36/83/05/1026368305.db2.gz NIUNVTGMZXUGSX-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP CO[C@@H]1CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139513368 1026368336 /nfs/dbraw/zinc/36/83/36/1026368336.db2.gz QZLBRVLVLSXQSG-HSZRJFAPSA-N 2 1 379.548 3.620 20 0 GHADMP F[C@@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001139514173 1026369106 /nfs/dbraw/zinc/36/91/06/1026369106.db2.gz JDPLVGDWWXDMHQ-RJGXRXQPSA-N 2 1 379.523 3.799 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC001139515540 1026372480 /nfs/dbraw/zinc/37/24/80/1026372480.db2.gz QWJQMKRDSXYVMA-NRFANRHFSA-N 2 1 379.548 3.620 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2c(Cl)ccnc2NC(=O)OC(C)(C)C)CC1 ZINC001139585602 1026447963 /nfs/dbraw/zinc/44/79/63/1026447963.db2.gz UBOTXORKCOGBAG-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccnc(Cl)c1F)CC2 ZINC001139661098 1026519649 /nfs/dbraw/zinc/51/96/49/1026519649.db2.gz FHQQWPVVEXLTFB-MRXNPFEDSA-N 2 1 393.890 3.723 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2CN(Cc3cnc4c(c3)OCCO4)C[C@H]21 ZINC001139735317 1026576516 /nfs/dbraw/zinc/57/65/16/1026576516.db2.gz XEWQQSSBNDYNMN-DFQSSKMNSA-N 2 1 399.560 3.647 20 0 GHADMP C[N@@H+](Cc1ccc(N2CCC([NH+]3CCc4ccccc4C3)CC2)nc1)C1CC1 ZINC001165154743 1026637484 /nfs/dbraw/zinc/63/74/84/1026637484.db2.gz ORJBFXZVEOQDPI-UHFFFAOYSA-N 2 1 376.548 3.703 20 0 GHADMP C[NH+](Cc1ccc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)nc1)C1CC1 ZINC001165154743 1026637490 /nfs/dbraw/zinc/63/74/90/1026637490.db2.gz ORJBFXZVEOQDPI-UHFFFAOYSA-N 2 1 376.548 3.703 20 0 GHADMP C[NH+](Cc1ccc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)nc1)C1CC1 ZINC001165154743 1026637497 /nfs/dbraw/zinc/63/74/97/1026637497.db2.gz ORJBFXZVEOQDPI-UHFFFAOYSA-N 2 1 376.548 3.703 20 0 GHADMP Cn1ncc2ccc(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC001139911107 1026724557 /nfs/dbraw/zinc/72/45/57/1026724557.db2.gz IYRJSWJJVLERSE-JVNMPXIPSA-N 2 1 376.548 3.968 20 0 GHADMP Cn1ncc2ccc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC001139911107 1026724564 /nfs/dbraw/zinc/72/45/64/1026724564.db2.gz IYRJSWJJVLERSE-JVNMPXIPSA-N 2 1 376.548 3.968 20 0 GHADMP Cn1ncc2cc(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)ccc21 ZINC001139950244 1026755511 /nfs/dbraw/zinc/75/55/11/1026755511.db2.gz JJDHUVCXPSEDBS-UHFFFAOYSA-N 2 1 389.547 3.845 20 0 GHADMP Cn1ncc2cc(C[N@@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001139951894 1026755906 /nfs/dbraw/zinc/75/59/06/1026755906.db2.gz RUUGGAUIDUXEJA-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[N@H+]3C[C@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001139951894 1026755912 /nfs/dbraw/zinc/75/59/12/1026755912.db2.gz RUUGGAUIDUXEJA-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[NH+]3C[C@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001139951894 1026755921 /nfs/dbraw/zinc/75/59/21/1026755921.db2.gz RUUGGAUIDUXEJA-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2cc(C[NH+]3C[C@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001139951894 1026755928 /nfs/dbraw/zinc/75/59/28/1026755928.db2.gz RUUGGAUIDUXEJA-ZFJSRUIDSA-N 2 1 389.547 3.701 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001140025504 1026812890 /nfs/dbraw/zinc/81/28/90/1026812890.db2.gz BZOSUIBBGMDGEH-LPHOPBHVSA-N 2 1 384.524 3.916 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(O)cc1F)CC2 ZINC001140126286 1026903688 /nfs/dbraw/zinc/90/36/88/1026903688.db2.gz SXJZKTFPRFGARX-FQEVSTJZSA-N 2 1 384.495 3.787 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2nc(Cl)ccc2NC(=O)OC(C)(C)C)CC1 ZINC001140190768 1026963197 /nfs/dbraw/zinc/96/31/97/1026963197.db2.gz AZLLQLJJPKQJTO-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718898 1027117174 /nfs/dbraw/zinc/11/71/74/1027117174.db2.gz RDOLPNFZKRXPKD-SFTDATJTSA-N 2 1 394.515 3.768 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718898 1027117181 /nfs/dbraw/zinc/11/71/81/1027117181.db2.gz RDOLPNFZKRXPKD-SFTDATJTSA-N 2 1 394.515 3.768 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718898 1027117188 /nfs/dbraw/zinc/11/71/88/1027117188.db2.gz RDOLPNFZKRXPKD-SFTDATJTSA-N 2 1 394.515 3.768 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)c2ccccc21 ZINC001209727999 1027123083 /nfs/dbraw/zinc/12/30/83/1027123083.db2.gz BJZXCPWTOUUPEE-UHFFFAOYSA-N 2 1 394.519 3.783 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1C(C)(C)C ZINC001461228466 1069451991 /nfs/dbraw/zinc/45/19/91/1069451991.db2.gz CUEGIKIRCMBFKD-JTHBVZDNSA-N 2 1 396.575 3.965 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1C(C)(C)C ZINC001461228466 1069451995 /nfs/dbraw/zinc/45/19/95/1069451995.db2.gz CUEGIKIRCMBFKD-JTHBVZDNSA-N 2 1 396.575 3.965 20 0 GHADMP Brc1nc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc2ccccc21 ZINC001210263319 1027411790 /nfs/dbraw/zinc/41/17/90/1027411790.db2.gz YBNPKNPXVIBWGD-UHFFFAOYSA-N 2 1 384.281 3.546 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC001203798752 1027611663 /nfs/dbraw/zinc/61/16/63/1027611663.db2.gz HDCKALBBBXLDFX-NRFANRHFSA-N 2 1 385.939 3.991 20 0 GHADMP Brc1ccc2ncc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)n2c1 ZINC001461267109 1069471222 /nfs/dbraw/zinc/47/12/22/1069471222.db2.gz VGRQMQXAMHUNJT-UHFFFAOYSA-N 2 1 391.357 3.984 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC001203954995 1027751713 /nfs/dbraw/zinc/75/17/13/1027751713.db2.gz DJRBABUODXGCCJ-QFIPXVFZSA-N 2 1 395.547 3.593 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC001204031839 1027820811 /nfs/dbraw/zinc/82/08/11/1027820811.db2.gz OFWLHTHBBGTTMG-HXUWFJFHSA-N 2 1 392.609 3.786 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001142137803 1028227812 /nfs/dbraw/zinc/22/78/12/1028227812.db2.gz CRMYYYQEJSESME-YOUFYPILSA-N 2 1 389.559 3.520 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001142137803 1028227822 /nfs/dbraw/zinc/22/78/22/1028227822.db2.gz CRMYYYQEJSESME-YOUFYPILSA-N 2 1 389.559 3.520 20 0 GHADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001142137803 1028227830 /nfs/dbraw/zinc/22/78/30/1028227830.db2.gz CRMYYYQEJSESME-YOUFYPILSA-N 2 1 389.559 3.520 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000841432350 1028618502 /nfs/dbraw/zinc/61/85/02/1028618502.db2.gz PKFHVMNVGZZVLK-ISKFKSNPSA-N 2 1 379.548 3.708 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000401783080 1029181654 /nfs/dbraw/zinc/18/16/54/1029181654.db2.gz XTZRCPLUILSUNN-OTWHNJEPSA-N 2 1 376.545 3.511 20 0 GHADMP [NH3+]Cc1ccc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)cc1 ZINC001215494469 1029239473 /nfs/dbraw/zinc/23/94/73/1029239473.db2.gz LTJGGHKOVMDSSD-LJQANCHMSA-N 2 1 375.407 3.734 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(Br)cnc2Cl)c1 ZINC000842671206 1029476479 /nfs/dbraw/zinc/47/64/79/1029476479.db2.gz MPTKIWJXASPATG-UHFFFAOYSA-N 2 1 398.732 3.728 20 0 GHADMP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699773 1029509598 /nfs/dbraw/zinc/50/95/98/1029509598.db2.gz PZLZHDNCWAKFIF-HLAWJBBLSA-N 2 1 385.552 3.640 20 0 GHADMP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842699773 1029509604 /nfs/dbraw/zinc/50/96/04/1029509604.db2.gz PZLZHDNCWAKFIF-HLAWJBBLSA-N 2 1 385.552 3.640 20 0 GHADMP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842712365 1029523243 /nfs/dbraw/zinc/52/32/43/1029523243.db2.gz XQCBAGYWRGFBDY-YADHBBJMSA-N 2 1 393.531 3.894 20 0 GHADMP NC(=O)OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842712365 1029523253 /nfs/dbraw/zinc/52/32/53/1029523253.db2.gz XQCBAGYWRGFBDY-YADHBBJMSA-N 2 1 393.531 3.894 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001142912224 1029678449 /nfs/dbraw/zinc/67/84/49/1029678449.db2.gz YTCKULHLTUWTLH-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001142912224 1029678457 /nfs/dbraw/zinc/67/84/57/1029678457.db2.gz YTCKULHLTUWTLH-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001142912224 1029678474 /nfs/dbraw/zinc/67/84/74/1029678474.db2.gz YTCKULHLTUWTLH-DNQXCXABSA-N 2 1 392.543 3.746 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3nccn3c1)CC2 ZINC001143020804 1029787915 /nfs/dbraw/zinc/78/79/15/1029787915.db2.gz BVYDNBDPTPBTIF-LJQANCHMSA-N 2 1 396.560 3.651 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3nccn3c1)CC2 ZINC001143020803 1029787961 /nfs/dbraw/zinc/78/79/61/1029787961.db2.gz BVYDNBDPTPBTIF-IBGZPJMESA-N 2 1 396.560 3.651 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(-c2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000843135287 1029821156 /nfs/dbraw/zinc/82/11/56/1029821156.db2.gz FHGJNENBLONHCK-UHFFFAOYSA-N 2 1 376.504 3.911 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001222010103 1029930555 /nfs/dbraw/zinc/93/05/55/1029930555.db2.gz QFNDTIMSMQQPPZ-FCHUYYIVSA-N 2 1 386.584 3.585 20 0 GHADMP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364777 1029942357 /nfs/dbraw/zinc/94/23/57/1029942357.db2.gz RTBJPNXMIBKMAP-JOCHJYFZSA-N 2 1 393.531 3.841 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407631 1029980688 /nfs/dbraw/zinc/98/06/88/1029980688.db2.gz VMWYKBOZCZPQQG-DUIUGDAFSA-N 2 1 385.552 3.854 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843407631 1029980695 /nfs/dbraw/zinc/98/06/95/1029980695.db2.gz VMWYKBOZCZPQQG-DUIUGDAFSA-N 2 1 385.552 3.854 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1C[C@H](C)c1cccc3ccccc31)CC[NH2+]CC2 ZINC001222216132 1030010982 /nfs/dbraw/zinc/01/09/82/1030010982.db2.gz XFQKMNQEHFDMDT-PGRDOPGGSA-N 2 1 380.532 3.951 20 0 GHADMP C[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001143311651 1030017861 /nfs/dbraw/zinc/01/78/61/1030017861.db2.gz UJOZDNKUMTZXHH-XMMPIXPASA-N 2 1 391.559 3.632 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccc(F)c(-c3ccccc3)c1)CC[NH2+]CC2 ZINC001222232530 1030024544 /nfs/dbraw/zinc/02/45/44/1030024544.db2.gz VXPZTQFBROLCEA-JOCHJYFZSA-N 2 1 396.506 4.000 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(F)c(-c3ccccc3)c1)CC[NH2+]CC2 ZINC001222232530 1030024562 /nfs/dbraw/zinc/02/45/62/1030024562.db2.gz VXPZTQFBROLCEA-JOCHJYFZSA-N 2 1 396.506 4.000 20 0 GHADMP c1nn(CC[NH+]2CCCC2)cc1-c1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001222461082 1030147029 /nfs/dbraw/zinc/14/70/29/1030147029.db2.gz QBCVSXJITMEYNJ-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC001149491353 1030194787 /nfs/dbraw/zinc/19/47/87/1030194787.db2.gz KAVQUBPBATWSHH-NPHXMPSESA-N 2 1 385.596 3.627 20 0 GHADMP c1[nH+]c(CN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)n2ccccc12 ZINC001222577389 1030207251 /nfs/dbraw/zinc/20/72/51/1030207251.db2.gz ZKAPEXGEDQFUCZ-QFIPXVFZSA-N 2 1 390.531 3.638 20 0 GHADMP COc1cc(O)ccc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222583488 1030211272 /nfs/dbraw/zinc/21/12/72/1030211272.db2.gz OGTOZHBWEGBNET-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP COc1cc(O)ccc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222583488 1030211294 /nfs/dbraw/zinc/21/12/94/1030211294.db2.gz OGTOZHBWEGBNET-NRFANRHFSA-N 2 1 396.531 3.704 20 0 GHADMP COc1c(O)cccc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590937 1030218447 /nfs/dbraw/zinc/21/84/47/1030218447.db2.gz PGGSGABOOAORFR-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP COc1c(O)cccc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222590937 1030218460 /nfs/dbraw/zinc/21/84/60/1030218460.db2.gz PGGSGABOOAORFR-OAQYLSRUSA-N 2 1 396.531 3.704 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001222613463 1030238420 /nfs/dbraw/zinc/23/84/20/1030238420.db2.gz STCHXFQCXRTYJZ-YADHBBJMSA-N 2 1 390.616 3.595 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222613463 1030238440 /nfs/dbraw/zinc/23/84/40/1030238440.db2.gz STCHXFQCXRTYJZ-YADHBBJMSA-N 2 1 390.616 3.595 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1CC1CCCCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222613463 1030238462 /nfs/dbraw/zinc/23/84/62/1030238462.db2.gz STCHXFQCXRTYJZ-YADHBBJMSA-N 2 1 390.616 3.595 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)cc1 ZINC001222643819 1030255781 /nfs/dbraw/zinc/25/57/81/1030255781.db2.gz VXOAWNJJWNQCJE-GOSISDBHSA-N 2 1 378.442 3.687 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]3NCCO[C@H]3C2)cc1 ZINC001222697157 1030280158 /nfs/dbraw/zinc/28/01/58/1030280158.db2.gz WGVJAZGYWKVEJA-PMACEKPBSA-N 2 1 392.421 3.815 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001222717976 1030285960 /nfs/dbraw/zinc/28/59/60/1030285960.db2.gz XHAVGJXALFIDJR-HXUWFJFHSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001222717976 1030285975 /nfs/dbraw/zinc/28/59/75/1030285975.db2.gz XHAVGJXALFIDJR-HXUWFJFHSA-N 2 1 398.595 3.699 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001223444047 1030575844 /nfs/dbraw/zinc/57/58/44/1030575844.db2.gz LTAZNBQDMMEZKV-OALUTQOASA-N 2 1 392.613 3.647 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1Cl ZINC001223445602 1030577052 /nfs/dbraw/zinc/57/70/52/1030577052.db2.gz WZBIFUJWWPAYIP-JXXFODFXSA-N 2 1 392.975 3.647 20 0 GHADMP [NH3+][C@H](Cc1cccc(Cl)c1)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217712884 1030622527 /nfs/dbraw/zinc/62/25/27/1030622527.db2.gz IXVWMTPWIANBGY-IEBWSBKVSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@H](Cc1cccc(Cl)c1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217712884 1030622543 /nfs/dbraw/zinc/62/25/43/1030622543.db2.gz IXVWMTPWIANBGY-IEBWSBKVSA-N 2 1 382.895 3.955 20 0 GHADMP [NH3+][C@@H](CSc1ccccc1)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217726440 1030630217 /nfs/dbraw/zinc/63/02/17/1030630217.db2.gz GJSRAJMTOZIPTM-HKUYNNGSSA-N 2 1 380.517 3.851 20 0 GHADMP [NH3+][C@@H](CSc1ccccc1)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217726440 1030630232 /nfs/dbraw/zinc/63/02/32/1030630232.db2.gz GJSRAJMTOZIPTM-HKUYNNGSSA-N 2 1 380.517 3.851 20 0 GHADMP Fc1ccc2c(c1)nc(O[C@@H]1CC[N@@H+](Cc3ccccc3)C1)n2C1CC[NH2+]CC1 ZINC001217946483 1030680912 /nfs/dbraw/zinc/68/09/12/1030680912.db2.gz OBUBZEBNXOQVII-HXUWFJFHSA-N 2 1 394.494 3.753 20 0 GHADMP [NH3+]C1CCN(Cc2ccccc2O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001218175525 1030807874 /nfs/dbraw/zinc/80/78/74/1030807874.db2.gz ACKCPZYEZWXSBE-QHCPKHFHSA-N 2 1 379.548 3.653 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206640737 1030872145 /nfs/dbraw/zinc/87/21/45/1030872145.db2.gz MCDJRRATEPLUFH-LJQANCHMSA-N 2 1 382.504 3.613 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)C1CCCCC1 ZINC001224563523 1031048087 /nfs/dbraw/zinc/04/80/87/1031048087.db2.gz NFVFBGQAFRWBOC-HXUWFJFHSA-N 2 1 380.621 3.698 20 0 GHADMP CC[NH+](CCCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)C1CCCCC1 ZINC001224563523 1031048105 /nfs/dbraw/zinc/04/81/05/1031048105.db2.gz NFVFBGQAFRWBOC-HXUWFJFHSA-N 2 1 380.621 3.698 20 0 GHADMP CC[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCCCC1 ZINC001224563523 1031048121 /nfs/dbraw/zinc/04/81/21/1031048121.db2.gz NFVFBGQAFRWBOC-HXUWFJFHSA-N 2 1 380.621 3.698 20 0 GHADMP Cc1cc(NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)cn2cc[nH+]c12 ZINC001218781915 1031077130 /nfs/dbraw/zinc/07/71/30/1031077130.db2.gz GMVNDSOYRQQRPZ-HXUWFJFHSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cn2cc[nH+]c12 ZINC001218781915 1031077146 /nfs/dbraw/zinc/07/71/46/1031077146.db2.gz GMVNDSOYRQQRPZ-HXUWFJFHSA-N 2 1 377.492 3.675 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC001152028834 1031079518 /nfs/dbraw/zinc/07/95/18/1031079518.db2.gz CRTRNSGTSYGHDJ-QHCPKHFHSA-N 2 1 379.548 3.575 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224962865 1031193166 /nfs/dbraw/zinc/19/31/66/1031193166.db2.gz YTKLRTGYMBAGIM-SDUSCBPUSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001224962865 1031193174 /nfs/dbraw/zinc/19/31/74/1031193174.db2.gz YTKLRTGYMBAGIM-SDUSCBPUSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001224962865 1031193179 /nfs/dbraw/zinc/19/31/79/1031193179.db2.gz YTKLRTGYMBAGIM-SDUSCBPUSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224962865 1031193188 /nfs/dbraw/zinc/19/31/88/1031193188.db2.gz YTKLRTGYMBAGIM-SDUSCBPUSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224962865 1031193196 /nfs/dbraw/zinc/19/31/96/1031193196.db2.gz YTKLRTGYMBAGIM-SDUSCBPUSA-N 2 1 394.559 3.815 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816237 1031630772 /nfs/dbraw/zinc/63/07/72/1031630772.db2.gz FLVPMODPJWJOGP-RSXGOPAZSA-N 2 1 399.538 3.908 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001219940987 1031708196 /nfs/dbraw/zinc/70/81/96/1031708196.db2.gz KBQCMPNAIUHPFT-OEMFJLHTSA-N 2 1 391.559 3.756 20 0 GHADMP [NH3+][C@@H](CSc1ccccc1)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940983 1031708724 /nfs/dbraw/zinc/70/87/24/1031708724.db2.gz JZAQZSWZLOMFEL-LEWJYISDSA-N 2 1 397.588 3.525 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001220552732 1031987065 /nfs/dbraw/zinc/98/70/65/1031987065.db2.gz VFHIFNOUUCZBOB-PMACEKPBSA-N 2 1 392.975 3.603 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001226611104 1032041203 /nfs/dbraw/zinc/04/12/03/1032041203.db2.gz QXGIVADURJGODU-XLIONFOSSA-N 2 1 394.991 3.722 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001226611104 1032041210 /nfs/dbraw/zinc/04/12/10/1032041210.db2.gz QXGIVADURJGODU-XLIONFOSSA-N 2 1 394.991 3.722 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001226611104 1032041226 /nfs/dbraw/zinc/04/12/26/1032041226.db2.gz QXGIVADURJGODU-XLIONFOSSA-N 2 1 394.991 3.722 20 0 GHADMP COc1c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc(C(C)(C)C)cc1C(C)(C)C ZINC001205228014 1033316519 /nfs/dbraw/zinc/31/65/19/1033316519.db2.gz ABIAUXMXOFLQQN-QHCPKHFHSA-N 2 1 376.585 3.966 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)CC3)c2n1 ZINC001205638508 1033504913 /nfs/dbraw/zinc/50/49/13/1033504913.db2.gz OTFAGFQAKGDPDP-KBPBESRZSA-N 2 1 392.341 3.813 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2c(Br)cccc2OC(F)F)CC[C@@H]1C[NH3+] ZINC001205651386 1033512294 /nfs/dbraw/zinc/51/22/94/1033512294.db2.gz DLUDGPRKBBHXHY-NWDGAFQWSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@H]1[C@@H]([NH3+])CCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001157744140 1033748844 /nfs/dbraw/zinc/74/88/44/1033748844.db2.gz KYZLLRNMVDIRPB-RDJZCZTQSA-N 2 1 399.608 3.872 20 0 GHADMP Cc1nc2c(c(O[C@H]3CCC[N@@H+](C(C)C)C3)n1)C[NH+](Cc1ccccc1)CC2 ZINC001229847661 1033750755 /nfs/dbraw/zinc/75/07/55/1033750755.db2.gz ZCWIHTABQNPREW-FQEVSTJZSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(O[C@H]3CCC[N@H+](C(C)C)C3)n1)C[NH+](Cc1ccccc1)CC2 ZINC001229847661 1033750774 /nfs/dbraw/zinc/75/07/74/1033750774.db2.gz ZCWIHTABQNPREW-FQEVSTJZSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(O[C@H]3CCC[NH+](C(C)C)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229847661 1033750793 /nfs/dbraw/zinc/75/07/93/1033750793.db2.gz ZCWIHTABQNPREW-FQEVSTJZSA-N 2 1 380.536 3.595 20 0 GHADMP Cc1nc2c(c(O[C@H]3CCC[NH+](C(C)C)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229847661 1033750804 /nfs/dbraw/zinc/75/08/04/1033750804.db2.gz ZCWIHTABQNPREW-FQEVSTJZSA-N 2 1 380.536 3.595 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@@H]1F ZINC001206172922 1033753611 /nfs/dbraw/zinc/75/36/11/1033753611.db2.gz CPRGFMISHLOAHA-LSDHHAIUSA-N 2 1 384.318 3.834 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@@H]1F ZINC001206172922 1033753622 /nfs/dbraw/zinc/75/36/22/1033753622.db2.gz CPRGFMISHLOAHA-LSDHHAIUSA-N 2 1 384.318 3.834 20 0 GHADMP [NH3+]C[C@]1(F)CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC001157817165 1033780892 /nfs/dbraw/zinc/78/08/92/1033780892.db2.gz KHGUIWQAVAIWRS-HSZRJFAPSA-N 2 1 387.462 3.965 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)c2n1 ZINC001206318613 1033792974 /nfs/dbraw/zinc/79/29/74/1033792974.db2.gz RYGRLRRZIQGJSK-LJQANCHMSA-N 2 1 392.341 3.957 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2cccc(Br)c2Br)CC1 ZINC001206507082 1033881328 /nfs/dbraw/zinc/88/13/28/1033881328.db2.gz ZVTVYHZATAPZOC-UHFFFAOYSA-N 2 1 376.136 3.772 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001206537785 1033898131 /nfs/dbraw/zinc/89/81/31/1033898131.db2.gz NZUYTPKBODBYDK-RTBURBONSA-N 2 1 385.552 3.551 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2C[NH+]4CCC2CC4)c1-3 ZINC001230129532 1033912704 /nfs/dbraw/zinc/91/27/04/1033912704.db2.gz KNKMXIPTCKNTAT-TZIWHRDSSA-N 2 1 376.500 3.617 20 0 GHADMP CC(C)[N@H+](Cc1sc(Br)c2c1OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206599068 1033919628 /nfs/dbraw/zinc/91/96/28/1033919628.db2.gz NDNZKYVBRRRNDE-GFCCVEGCSA-N 2 1 389.359 3.634 20 0 GHADMP CC(C)[N@@H+](Cc1sc(Br)c2c1OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC001206599068 1033919631 /nfs/dbraw/zinc/91/96/31/1033919631.db2.gz NDNZKYVBRRRNDE-GFCCVEGCSA-N 2 1 389.359 3.634 20 0 GHADMP COc1cc2c[nH+]c(N(Cc3cccnc3)[C@H]3CC[C@H]([NH3+])CC3)cc2cc1OC ZINC001158166929 1033949082 /nfs/dbraw/zinc/94/90/82/1033949082.db2.gz KLRWCEHVEHLSKD-MXVIHJGJSA-N 2 1 392.503 3.924 20 0 GHADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001206710974 1033953450 /nfs/dbraw/zinc/95/34/50/1033953450.db2.gz UHPDNASMPODHMO-SGNDLWITSA-N 2 1 384.564 3.546 20 0 GHADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001206710974 1033953457 /nfs/dbraw/zinc/95/34/57/1033953457.db2.gz UHPDNASMPODHMO-SGNDLWITSA-N 2 1 384.564 3.546 20 0 GHADMP Cc1ccc(OC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001206717438 1033956955 /nfs/dbraw/zinc/95/69/55/1033956955.db2.gz UKAGCNSBOIPVEP-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP CCN(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3)[C@H]1CCC[NH2+]C1 ZINC001158204785 1033962763 /nfs/dbraw/zinc/96/27/63/1033962763.db2.gz KNEZNZYJUVIUDB-INIZCTEOSA-N 2 1 399.608 3.744 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cn3c(cccc3Br)n2)CC1 ZINC001206755498 1033970629 /nfs/dbraw/zinc/97/06/29/1033970629.db2.gz KMSJHSHVDKRFKX-UHFFFAOYSA-N 2 1 399.336 3.589 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC001206811437 1033993736 /nfs/dbraw/zinc/99/37/36/1033993736.db2.gz UPINBEHPICVNCE-IEBWSBKVSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC001206811437 1033993743 /nfs/dbraw/zinc/99/37/43/1033993743.db2.gz UPINBEHPICVNCE-IEBWSBKVSA-N 2 1 384.520 3.842 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2cc(OC)ccn2)C2CC[NH2+]CC2)nc1 ZINC001158325756 1034024345 /nfs/dbraw/zinc/02/43/45/1034024345.db2.gz ROWUOBGNTWCMIU-NRFANRHFSA-N 2 1 395.551 3.922 20 0 GHADMP COc1cc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC001206848214 1034033934 /nfs/dbraw/zinc/03/39/34/1034033934.db2.gz ZOXZJBCUYWNNLU-RUZDIDTESA-N 2 1 390.527 3.917 20 0 GHADMP COc1cc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc2ccccc21 ZINC001206848214 1034033946 /nfs/dbraw/zinc/03/39/46/1034033946.db2.gz ZOXZJBCUYWNNLU-RUZDIDTESA-N 2 1 390.527 3.917 20 0 GHADMP COc1cc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc2ccccc21 ZINC001206848214 1034033960 /nfs/dbraw/zinc/03/39/60/1034033960.db2.gz ZOXZJBCUYWNNLU-RUZDIDTESA-N 2 1 390.527 3.917 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c(F)cncc1F)CC2 ZINC001206857965 1034036656 /nfs/dbraw/zinc/03/66/56/1034036656.db2.gz IZSNVNRKUXDWDD-GOSISDBHSA-N 2 1 387.474 3.615 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(NCC[C@H]4CCC[NH2+]4)c23)C1 ZINC001158627232 1034208549 /nfs/dbraw/zinc/20/85/49/1034208549.db2.gz PIBXUAVYFLGMRX-HZPDHXFCSA-N 2 1 399.608 3.966 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001207289398 1034240909 /nfs/dbraw/zinc/24/09/09/1034240909.db2.gz LZZBXMBWKASGNS-UHFFFAOYSA-N 2 1 387.568 3.841 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001207291361 1034242058 /nfs/dbraw/zinc/24/20/58/1034242058.db2.gz OTWMYGKZDVXBJT-OAQYLSRUSA-N 2 1 387.568 3.840 20 0 GHADMP COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291462 1034242095 /nfs/dbraw/zinc/24/20/95/1034242095.db2.gz RHTOHIOVMNCYLW-DNQXCXABSA-N 2 1 386.580 3.806 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CC(C)(C)Sc1ccc(Cl)cc1 ZINC001207298665 1034250771 /nfs/dbraw/zinc/25/07/71/1034250771.db2.gz QAJIAHMSXCHFQY-RBUKOAKNSA-N 2 1 382.017 3.921 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC001207353804 1034298069 /nfs/dbraw/zinc/29/80/69/1034298069.db2.gz HUOBALWWUITINT-RBUKOAKNSA-N 2 1 376.541 3.540 20 0 GHADMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207386226 1034333424 /nfs/dbraw/zinc/33/34/24/1034333424.db2.gz VNUOKEZPRLZNLQ-IBGZPJMESA-N 2 1 381.358 3.567 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCc2ccc(Br)cc2)CC1 ZINC001207386226 1034333434 /nfs/dbraw/zinc/33/34/34/1034333434.db2.gz VNUOKEZPRLZNLQ-IBGZPJMESA-N 2 1 381.358 3.567 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001207474387 1034385685 /nfs/dbraw/zinc/38/56/85/1034385685.db2.gz MDJPBHDZKHNXOK-ZCYQVOJMSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001207474387 1034385699 /nfs/dbraw/zinc/38/56/99/1034385699.db2.gz MDJPBHDZKHNXOK-ZCYQVOJMSA-N 2 1 398.591 3.698 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001207474387 1034385714 /nfs/dbraw/zinc/38/57/14/1034385714.db2.gz MDJPBHDZKHNXOK-ZCYQVOJMSA-N 2 1 398.591 3.698 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)c1 ZINC001207624277 1034494879 /nfs/dbraw/zinc/49/48/79/1034494879.db2.gz ATCABXRBGSROEA-KSEOMHKRSA-N 2 1 382.548 3.574 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C[C@H]4C[C@H]5C=C[C@@H]4C5)CC3)C2)c1 ZINC001207624277 1034494890 /nfs/dbraw/zinc/49/48/90/1034494890.db2.gz ATCABXRBGSROEA-KSEOMHKRSA-N 2 1 382.548 3.574 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001207767771 1034566148 /nfs/dbraw/zinc/56/61/48/1034566148.db2.gz FJUZSHPQNSIIGZ-XMMPIXPASA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001207767771 1034566157 /nfs/dbraw/zinc/56/61/57/1034566157.db2.gz FJUZSHPQNSIIGZ-XMMPIXPASA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001207767771 1034566165 /nfs/dbraw/zinc/56/61/65/1034566165.db2.gz FJUZSHPQNSIIGZ-XMMPIXPASA-N 2 1 399.579 3.841 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770290 1034567714 /nfs/dbraw/zinc/56/77/14/1034567714.db2.gz SZBGTKNLIQWLCG-VXKWHMMOSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770290 1034567721 /nfs/dbraw/zinc/56/77/21/1034567721.db2.gz SZBGTKNLIQWLCG-VXKWHMMOSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207770290 1034567731 /nfs/dbraw/zinc/56/77/31/1034567731.db2.gz SZBGTKNLIQWLCG-VXKWHMMOSA-N 2 1 399.579 3.697 20 0 GHADMP C[NH+]1CCC(C2CC[NH+](Cc3c(C(F)(F)F)nc4sccn34)CC2)CC1 ZINC001231440525 1034590429 /nfs/dbraw/zinc/59/04/29/1034590429.db2.gz UCHWUMJCIWISPI-UHFFFAOYSA-N 2 1 386.487 3.968 20 0 GHADMP Fc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001159537725 1034651158 /nfs/dbraw/zinc/65/11/58/1034651158.db2.gz ODUNEHGBHPMZFZ-YADHBBJMSA-N 2 1 392.522 3.968 20 0 GHADMP COCCN(Cc1ccc(Cl)c(Br)c1)C1CC[NH+](C)CC1 ZINC001231568291 1034717431 /nfs/dbraw/zinc/71/74/31/1034717431.db2.gz JKZGCYJQNCLQPU-UHFFFAOYSA-N 2 1 375.738 3.645 20 0 GHADMP Cc1ccc([C@H](C)CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)o1 ZINC001208154355 1034759194 /nfs/dbraw/zinc/75/91/94/1034759194.db2.gz GWJVMUFUCMUWIQ-PBASOCQRSA-N 2 1 385.556 3.547 20 0 GHADMP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)o1 ZINC001208154355 1034759197 /nfs/dbraw/zinc/75/91/97/1034759197.db2.gz GWJVMUFUCMUWIQ-PBASOCQRSA-N 2 1 385.556 3.547 20 0 GHADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)o1 ZINC001208154355 1034759202 /nfs/dbraw/zinc/75/92/02/1034759202.db2.gz GWJVMUFUCMUWIQ-PBASOCQRSA-N 2 1 385.556 3.547 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc1 ZINC001159846791 1034761472 /nfs/dbraw/zinc/76/14/72/1034761472.db2.gz WKMBGUVIQJGGQJ-QFIPXVFZSA-N 2 1 381.520 3.672 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCCC1 ZINC001208185985 1034782941 /nfs/dbraw/zinc/78/29/41/1034782941.db2.gz GGTTXHUMQFJJSB-XMMPIXPASA-N 2 1 381.564 3.509 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc1 ZINC001231641153 1034799088 /nfs/dbraw/zinc/79/90/88/1034799088.db2.gz RXULSXDQBHYVAW-HSZRJFAPSA-N 2 1 379.548 3.900 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1OC(C)=O ZINC001231709102 1034850791 /nfs/dbraw/zinc/85/07/91/1034850791.db2.gz WZWNSVXCPPCWBY-UHFFFAOYSA-N 2 1 398.503 3.702 20 0 GHADMP CCCCc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1 ZINC001231782765 1034906683 /nfs/dbraw/zinc/90/66/83/1034906683.db2.gz ZPFMWTQAFBVOLN-DNQXCXABSA-N 2 1 397.607 3.936 20 0 GHADMP CC(C)Cc1ccc(C[N@H+]2CCCn3cnc(COCC[NH+](C)C)c3C2)cc1 ZINC001231788607 1034909959 /nfs/dbraw/zinc/90/99/59/1034909959.db2.gz UQGCDKOSWDYFHT-UHFFFAOYSA-N 2 1 384.568 3.566 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C2 ZINC001208584111 1034942036 /nfs/dbraw/zinc/94/20/36/1034942036.db2.gz JZXXTJJAUDXBBG-QFIPXVFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C2 ZINC001208584111 1034942040 /nfs/dbraw/zinc/94/20/40/1034942040.db2.gz JZXXTJJAUDXBBG-QFIPXVFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C2 ZINC001208584111 1034942043 /nfs/dbraw/zinc/94/20/43/1034942043.db2.gz JZXXTJJAUDXBBG-QFIPXVFZSA-N 2 1 395.595 3.594 20 0 GHADMP CC[NH+]1CCC(C[N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001208592443 1034948099 /nfs/dbraw/zinc/94/80/99/1034948099.db2.gz HZPDREAMVQXPNR-FCHUYYIVSA-N 2 1 399.579 3.937 20 0 GHADMP COC1CC[NH+](C2CCN(C[C@@H]3CCCC[N@H+]3Cc3ccccc3)CC2)CC1 ZINC001208592701 1034948334 /nfs/dbraw/zinc/94/83/34/1034948334.db2.gz YMKNDOSSJDRHIA-QHCPKHFHSA-N 2 1 385.596 3.616 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001231957308 1035006329 /nfs/dbraw/zinc/00/63/29/1035006329.db2.gz CRRPPRFWSZKHIJ-LJQANCHMSA-N 2 1 385.939 3.991 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ncccc1Cl)CC2 ZINC001231957308 1035006339 /nfs/dbraw/zinc/00/63/39/1035006339.db2.gz CRRPPRFWSZKHIJ-LJQANCHMSA-N 2 1 385.939 3.991 20 0 GHADMP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001160595649 1035013102 /nfs/dbraw/zinc/01/31/02/1035013102.db2.gz RTCCSLYFWCCLBL-SBHAEUEKSA-N 2 1 385.596 3.653 20 0 GHADMP FC1(F)CCN(Cc2cc3c[nH+]ccc3[nH]2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001232015051 1035045972 /nfs/dbraw/zinc/04/59/72/1035045972.db2.gz QZAOZJZZMWUSFG-NRFANRHFSA-N 2 1 397.473 3.691 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ncccc4[nH]3)C[C@@H]21 ZINC001232070337 1035077783 /nfs/dbraw/zinc/07/77/83/1035077783.db2.gz RRCJQSSQJFPVAM-KPDCDPCYSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4ncccc4[nH]3)C[C@@H]21 ZINC001232070337 1035077793 /nfs/dbraw/zinc/07/77/93/1035077793.db2.gz RRCJQSSQJFPVAM-KPDCDPCYSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4ncccc4[nH]3)C[C@@H]21 ZINC001232070337 1035077797 /nfs/dbraw/zinc/07/77/97/1035077797.db2.gz RRCJQSSQJFPVAM-KPDCDPCYSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4ncccc4[nH]3)C[C@@H]21 ZINC001232070337 1035077802 /nfs/dbraw/zinc/07/78/02/1035077802.db2.gz RRCJQSSQJFPVAM-KPDCDPCYSA-N 2 1 375.520 3.690 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(C)n1 ZINC001232082182 1035084514 /nfs/dbraw/zinc/08/45/14/1035084514.db2.gz NCXLZSHORKOISJ-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(C)n1 ZINC001232082182 1035084523 /nfs/dbraw/zinc/08/45/23/1035084523.db2.gz NCXLZSHORKOISJ-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)n1 ZINC001232082182 1035084533 /nfs/dbraw/zinc/08/45/33/1035084533.db2.gz NCXLZSHORKOISJ-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(C)n1 ZINC001232082182 1035084540 /nfs/dbraw/zinc/08/45/40/1035084540.db2.gz NCXLZSHORKOISJ-RPWUZVMVSA-N 2 1 383.580 3.659 20 0 GHADMP C[N@@H+]1CC=C(N(c2ccccc2N)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001208909841 1035085535 /nfs/dbraw/zinc/08/55/35/1035085535.db2.gz HGBRYAODFKFMIG-UHFFFAOYSA-N 2 1 376.548 3.959 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931256 1035095460 /nfs/dbraw/zinc/09/54/60/1035095460.db2.gz IQRDXEIUXHDDKV-CEXWTWQISA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931256 1035095469 /nfs/dbraw/zinc/09/54/69/1035095469.db2.gz IQRDXEIUXHDDKV-CEXWTWQISA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931256 1035095480 /nfs/dbraw/zinc/09/54/80/1035095480.db2.gz IQRDXEIUXHDDKV-CEXWTWQISA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1F ZINC001208931256 1035095488 /nfs/dbraw/zinc/09/54/88/1035095488.db2.gz IQRDXEIUXHDDKV-CEXWTWQISA-N 2 1 388.449 3.626 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930778 1035095524 /nfs/dbraw/zinc/09/55/24/1035095524.db2.gz DPSZMZSRBHELOM-YZGWKJHDSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930778 1035095532 /nfs/dbraw/zinc/09/55/32/1035095532.db2.gz DPSZMZSRBHELOM-YZGWKJHDSA-N 2 1 384.486 3.924 20 0 GHADMP C[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC[C@]1(O)C(F)(F)F ZINC001208930778 1035095540 /nfs/dbraw/zinc/09/55/40/1035095540.db2.gz DPSZMZSRBHELOM-YZGWKJHDSA-N 2 1 384.486 3.924 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208934090 1035099587 /nfs/dbraw/zinc/09/95/87/1035099587.db2.gz HANVYEZUIQTKEH-CWBXHPNXSA-N 2 1 395.591 3.525 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208934090 1035099595 /nfs/dbraw/zinc/09/95/95/1035099595.db2.gz HANVYEZUIQTKEH-CWBXHPNXSA-N 2 1 395.591 3.525 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC001208934090 1035099603 /nfs/dbraw/zinc/09/96/03/1035099603.db2.gz HANVYEZUIQTKEH-CWBXHPNXSA-N 2 1 395.591 3.525 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](CCOc4ccccc4)CC3)C2)cc1 ZINC001208934814 1035100726 /nfs/dbraw/zinc/10/07/26/1035100726.db2.gz HDPLYUHYJCCPJJ-XMMPIXPASA-N 2 1 393.575 3.595 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](CCOc4ccccc4)CC3)C2)cc1 ZINC001208934814 1035100731 /nfs/dbraw/zinc/10/07/31/1035100731.db2.gz HDPLYUHYJCCPJJ-XMMPIXPASA-N 2 1 393.575 3.595 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CC[NH+](Cc2ccccc2)C1 ZINC001461937893 1069903143 /nfs/dbraw/zinc/90/31/43/1069903143.db2.gz HBTBLMXGFMWKQW-QPPBQGQZSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@@H]2C(=O)NC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001461937893 1069903145 /nfs/dbraw/zinc/90/31/45/1069903145.db2.gz HBTBLMXGFMWKQW-QPPBQGQZSA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@@H]2C(=O)NC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461937893 1069903146 /nfs/dbraw/zinc/90/31/46/1069903146.db2.gz HBTBLMXGFMWKQW-QPPBQGQZSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3cnc(-c4cccnc4)o3)CC2)c2ccccc2[nH+]1 ZINC001232133262 1035115829 /nfs/dbraw/zinc/11/58/29/1035115829.db2.gz UJFJPLQRJSRPRC-UHFFFAOYSA-N 2 1 385.471 3.915 20 0 GHADMP CC(C)(C)CC(=O)NC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208944922 1035115928 /nfs/dbraw/zinc/11/59/28/1035115928.db2.gz PQJWGQDGFZLZDB-NRFANRHFSA-N 2 1 385.596 3.915 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CN(C[C@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949686 1035120860 /nfs/dbraw/zinc/12/08/60/1035120860.db2.gz NJOLEESWUDAWRS-CCDWMCETSA-N 2 1 375.560 3.572 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208949686 1035120866 /nfs/dbraw/zinc/12/08/66/1035120866.db2.gz NJOLEESWUDAWRS-CCDWMCETSA-N 2 1 375.560 3.572 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208949686 1035120872 /nfs/dbraw/zinc/12/08/72/1035120872.db2.gz NJOLEESWUDAWRS-CCDWMCETSA-N 2 1 375.560 3.572 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)c1 ZINC001232144327 1035121697 /nfs/dbraw/zinc/12/16/97/1035121697.db2.gz HZSBXBUYNSKLDL-XMSQKQJNSA-N 2 1 391.531 3.767 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001232145179 1035122929 /nfs/dbraw/zinc/12/29/29/1035122929.db2.gz XATGSZVYATTYGZ-VQIMIIECSA-N 2 1 393.547 3.870 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208953018 1035125115 /nfs/dbraw/zinc/12/51/15/1035125115.db2.gz OCTQYBCFPGRESM-BHDDXSALSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208953018 1035125118 /nfs/dbraw/zinc/12/51/18/1035125118.db2.gz OCTQYBCFPGRESM-BHDDXSALSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208953018 1035125121 /nfs/dbraw/zinc/12/51/21/1035125121.db2.gz OCTQYBCFPGRESM-BHDDXSALSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001208952532 1035125294 /nfs/dbraw/zinc/12/52/94/1035125294.db2.gz KDASLHNHYRGYKK-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952532 1035125296 /nfs/dbraw/zinc/12/52/96/1035125296.db2.gz KDASLHNHYRGYKK-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952532 1035125301 /nfs/dbraw/zinc/12/53/01/1035125301.db2.gz KDASLHNHYRGYKK-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP [NH3+][C@H](CC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)Cc1cccs1 ZINC001161057082 1035127501 /nfs/dbraw/zinc/12/75/01/1035127501.db2.gz QQALKVVQLJUEQK-FPOVZHCZSA-N 2 1 397.588 3.664 20 0 GHADMP C[C@H]1C[N@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC001232150547 1035129028 /nfs/dbraw/zinc/12/90/28/1035129028.db2.gz YWUUFMRYCPOXJG-INIZCTEOSA-N 2 1 379.520 3.719 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC001232150547 1035129032 /nfs/dbraw/zinc/12/90/32/1035129032.db2.gz YWUUFMRYCPOXJG-INIZCTEOSA-N 2 1 379.520 3.719 20 0 GHADMP O=C(Nc1ccccc1)NC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208958797 1035131452 /nfs/dbraw/zinc/13/14/52/1035131452.db2.gz QNXQHCFKQSZJIV-NRFANRHFSA-N 2 1 392.547 3.795 20 0 GHADMP Cn1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(C2CC2)n1 ZINC001232169432 1035142443 /nfs/dbraw/zinc/14/24/43/1035142443.db2.gz ATDOJXXGGNJEBS-JOCHJYFZSA-N 2 1 394.563 3.553 20 0 GHADMP CN1CCC([N@H+](Cc2ccc(F)cc2)C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006593 1035146473 /nfs/dbraw/zinc/14/64/73/1035146473.db2.gz HNDBNWSSACBUER-HXUWFJFHSA-N 2 1 391.531 3.731 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209008454 1035147904 /nfs/dbraw/zinc/14/79/04/1035147904.db2.gz WFBMXHLITYLBMF-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209008454 1035147909 /nfs/dbraw/zinc/14/79/09/1035147909.db2.gz WFBMXHLITYLBMF-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209008454 1035147912 /nfs/dbraw/zinc/14/79/12/1035147912.db2.gz WFBMXHLITYLBMF-YPAWHYETSA-N 2 1 399.579 3.840 20 0 GHADMP C[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001161126646 1035150668 /nfs/dbraw/zinc/15/06/68/1035150668.db2.gz JQTWRPMWKKNLBW-PKTZIBPZSA-N 2 1 383.580 3.764 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccn1Cc1ccccc1)C2 ZINC001232234745 1035175952 /nfs/dbraw/zinc/17/59/52/1035175952.db2.gz XSPWXHYFNBLBST-ZCYQVOJMSA-N 2 1 393.575 3.717 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccn1Cc1ccccc1)C2 ZINC001232234745 1035175957 /nfs/dbraw/zinc/17/59/57/1035175957.db2.gz XSPWXHYFNBLBST-ZCYQVOJMSA-N 2 1 393.575 3.717 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccn1Cc1ccccc1)C2 ZINC001232234745 1035175961 /nfs/dbraw/zinc/17/59/61/1035175961.db2.gz XSPWXHYFNBLBST-ZCYQVOJMSA-N 2 1 393.575 3.717 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccn1Cc1ccccc1)C2 ZINC001232234745 1035175967 /nfs/dbraw/zinc/17/59/67/1035175967.db2.gz XSPWXHYFNBLBST-ZCYQVOJMSA-N 2 1 393.575 3.717 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N(CC(C)(C)C)C2CC[NH2+]CC2)C1 ZINC001161261345 1035195986 /nfs/dbraw/zinc/19/59/86/1035195986.db2.gz FITOSGCPXVZMCI-NRFANRHFSA-N 2 1 385.596 3.834 20 0 GHADMP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001161412631 1035225747 /nfs/dbraw/zinc/22/57/47/1035225747.db2.gz DYMFRKZOTCQSQT-RTBURBONSA-N 2 1 395.547 3.918 20 0 GHADMP CCC[NH+](CCC)CCN1CC[NH+](CCc2ccccc2C(F)(F)F)CC1 ZINC001209283968 1035230638 /nfs/dbraw/zinc/23/06/38/1035230638.db2.gz QNVGQYZSWULWMM-UHFFFAOYSA-N 2 1 385.518 3.988 20 0 GHADMP CC[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468379 1035282437 /nfs/dbraw/zinc/28/24/37/1035282437.db2.gz MAHWRQUUCKNJFX-VQTJNVASSA-N 2 1 375.557 3.744 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503118 1035294951 /nfs/dbraw/zinc/29/49/51/1035294951.db2.gz SKKBCANPHBUBMQ-WTIAFYNJSA-N 2 1 392.547 3.534 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cn3)OCCC4)C[C@@H]21 ZINC001209503118 1035294954 /nfs/dbraw/zinc/29/49/54/1035294954.db2.gz SKKBCANPHBUBMQ-WTIAFYNJSA-N 2 1 392.547 3.534 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508083 1035295997 /nfs/dbraw/zinc/29/59/97/1035295997.db2.gz ZIRHSWKLNHJHTL-FCHUYYIVSA-N 2 1 377.532 3.751 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508083 1035296002 /nfs/dbraw/zinc/29/60/02/1035296002.db2.gz ZIRHSWKLNHJHTL-FCHUYYIVSA-N 2 1 377.532 3.751 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5c(cn4)OCCC5)CC[C@H]3C2)cc1 ZINC001209508083 1035296007 /nfs/dbraw/zinc/29/60/07/1035296007.db2.gz ZIRHSWKLNHJHTL-FCHUYYIVSA-N 2 1 377.532 3.751 20 0 GHADMP [NH3+]C1CCN(C(=O)c2cccc(C3=CC[N@@H+](Cc4ccccc4)CC3)c2)CC1 ZINC001241507237 1035598050 /nfs/dbraw/zinc/59/80/50/1035598050.db2.gz SKJWYCKOSRXDMK-UHFFFAOYSA-N 2 1 375.516 3.539 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Br)no1 ZINC001248193797 1035622597 /nfs/dbraw/zinc/62/25/97/1035622597.db2.gz DENWKBUTXXQNTJ-ZDUSSCGKSA-N 2 1 387.709 3.884 20 0 GHADMP Cc1sc2nc(C[NH+](C)C)nc(-c3ccc(OCC[NH+](C)C)cc3)c2c1C ZINC001242149855 1035833608 /nfs/dbraw/zinc/83/36/08/1035833608.db2.gz TYDYVZGKTVLGQS-UHFFFAOYSA-N 2 1 384.549 3.977 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001248772690 1036126833 /nfs/dbraw/zinc/12/68/33/1036126833.db2.gz HWVUZYNEDQNDGG-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001248772690 1036126837 /nfs/dbraw/zinc/12/68/37/1036126837.db2.gz HWVUZYNEDQNDGG-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP c1cnn(-c2ccc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc2)n1 ZINC001248772690 1036126839 /nfs/dbraw/zinc/12/68/39/1036126839.db2.gz HWVUZYNEDQNDGG-XZOQPEGZSA-N 2 1 387.531 3.611 20 0 GHADMP Clc1ccn2ncc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2n1 ZINC001248880459 1036218745 /nfs/dbraw/zinc/21/87/45/1036218745.db2.gz JTPZKBHVIKEWJU-MOPGFXCFSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccn2ncc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)c2n1 ZINC001248880459 1036218766 /nfs/dbraw/zinc/21/87/66/1036218766.db2.gz JTPZKBHVIKEWJU-MOPGFXCFSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccn2ncc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c2n1 ZINC001248880459 1036218786 /nfs/dbraw/zinc/21/87/86/1036218786.db2.gz JTPZKBHVIKEWJU-MOPGFXCFSA-N 2 1 395.938 3.727 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001245998144 1037118727 /nfs/dbraw/zinc/11/87/27/1037118727.db2.gz LRJNPOHPNUWAHF-RXVVDRJESA-N 2 1 380.548 3.588 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c32)CC1 ZINC001246020721 1037137816 /nfs/dbraw/zinc/13/78/16/1037137816.db2.gz KEQYDXKJOHDZFM-SBUREZEXSA-N 2 1 381.520 3.512 20 0 GHADMP C[N@@H+](Cc1cccc(Oc2ccccc2)c1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246060665 1037173628 /nfs/dbraw/zinc/17/36/28/1037173628.db2.gz CQIAHPHXUWKUJS-BJKOFHAPSA-N 2 1 376.500 3.842 20 0 GHADMP C[N@H+](Cc1cccc(Oc2ccccc2)c1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246060665 1037173639 /nfs/dbraw/zinc/17/36/39/1037173639.db2.gz CQIAHPHXUWKUJS-BJKOFHAPSA-N 2 1 376.500 3.842 20 0 GHADMP C[N@H+](C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246062433 1037175594 /nfs/dbraw/zinc/17/55/94/1037175594.db2.gz LCIDGQQPANSGAY-YOUFYPILSA-N 2 1 389.326 3.748 20 0 GHADMP C[N@@H+](C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246062433 1037175600 /nfs/dbraw/zinc/17/56/00/1037175600.db2.gz LCIDGQQPANSGAY-YOUFYPILSA-N 2 1 389.326 3.748 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246063743 1037176125 /nfs/dbraw/zinc/17/61/25/1037176125.db2.gz CBJXFHHOWOUYPV-WXFUMESZSA-N 2 1 382.548 3.645 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068970 1037183595 /nfs/dbraw/zinc/18/35/95/1037183595.db2.gz VGCLIIZBCWQQHZ-FKBYEOEOSA-N 2 1 386.511 3.646 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001246069602 1037183750 /nfs/dbraw/zinc/18/37/50/1037183750.db2.gz KSKVGBPQBZMREC-MJGOQNOKSA-N 2 1 393.531 3.525 20 0 GHADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123982 1037204907 /nfs/dbraw/zinc/20/49/07/1037204907.db2.gz WBMYITFETNHYHO-OFNKIYASSA-N 3 1 395.566 3.848 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CCN2)cc1 ZINC001246132247 1037208038 /nfs/dbraw/zinc/20/80/38/1037208038.db2.gz OTRRJIBKRPSNGG-HJNYFJLDSA-N 2 1 377.532 3.715 20 0 GHADMP Fc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246136181 1037210011 /nfs/dbraw/zinc/21/00/11/1037210011.db2.gz COZAEQBGDLLAPK-DPLHUUCSSA-N 2 1 393.550 3.845 20 0 GHADMP CCOC(=O)CC1([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC001246206162 1037239098 /nfs/dbraw/zinc/23/90/98/1037239098.db2.gz XXINCAHPXZURPQ-FCHUYYIVSA-N 2 1 378.516 3.560 20 0 GHADMP C[C@@H]1CC[C@@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C[NH2+]1 ZINC001246310179 1037289964 /nfs/dbraw/zinc/28/99/64/1037289964.db2.gz FWNMKDPIKSBBPZ-ZNLUXHQJSA-N 2 1 391.515 3.568 20 0 GHADMP Fc1ccccc1[C@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246397679 1037356973 /nfs/dbraw/zinc/35/69/73/1037356973.db2.gz GIVMOUXDTZPYCP-AWRGLXIESA-N 3 1 381.539 3.819 20 0 GHADMP FC(F)(F)c1cccc(C2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)c1 ZINC001246430848 1037391538 /nfs/dbraw/zinc/39/15/38/1037391538.db2.gz PRNRPULLJSRMDJ-UHFFFAOYSA-N 2 1 381.486 3.796 20 0 GHADMP O=C1C[C@H]([NH2+]C2(c3cccc(Cl)c3)CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246435641 1037397458 /nfs/dbraw/zinc/39/74/58/1037397458.db2.gz GPXXAWJOSIDXDC-OAQYLSRUSA-N 2 1 397.950 3.700 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N[C@H]4CC45C[NH2+]C5)C[C@@H]23)cc1 ZINC001246442555 1037404537 /nfs/dbraw/zinc/40/45/37/1037404537.db2.gz DAEFIGOOCNTNCZ-HPUZDQILSA-N 2 1 387.571 3.703 20 0 GHADMP C[C@H]1CC[C@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246444133 1037406174 /nfs/dbraw/zinc/40/61/74/1037406174.db2.gz VRPVJEJTVFBWOS-QZHFEQFPSA-N 3 1 380.374 3.662 20 0 GHADMP C[C@H]1CC[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C[NH2+]1 ZINC001246444133 1037406178 /nfs/dbraw/zinc/40/61/78/1037406178.db2.gz VRPVJEJTVFBWOS-QZHFEQFPSA-N 3 1 380.374 3.662 20 0 GHADMP Clc1ccccc1C1(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246452791 1037414159 /nfs/dbraw/zinc/41/41/59/1037414159.db2.gz UFHFZWBACQXZCK-SFHVURJKSA-N 3 1 375.988 3.958 20 0 GHADMP Clc1ccccc1C1(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246452791 1037414167 /nfs/dbraw/zinc/41/41/67/1037414167.db2.gz UFHFZWBACQXZCK-SFHVURJKSA-N 3 1 375.988 3.958 20 0 GHADMP C[C@@H]1C[C@H](NC2(Cc3cccc(F)c3)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246457383 1037415744 /nfs/dbraw/zinc/41/57/44/1037415744.db2.gz KCGWKBYHZSFQEY-XXBNENTESA-N 2 1 381.539 3.743 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001246581265 1037487867 /nfs/dbraw/zinc/48/78/67/1037487867.db2.gz YMEBALWPVORKQP-GRSYGWAWSA-N 2 1 383.580 3.768 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246594474 1037493173 /nfs/dbraw/zinc/49/31/73/1037493173.db2.gz WBQNUVBYLOCYFG-CZTZKLFOSA-N 2 1 376.516 3.983 20 0 GHADMP CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)C1 ZINC001246594474 1037493188 /nfs/dbraw/zinc/49/31/88/1037493188.db2.gz WBQNUVBYLOCYFG-CZTZKLFOSA-N 2 1 376.516 3.983 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2C2Cc3ccccc3C2)cc1 ZINC001246617856 1037508958 /nfs/dbraw/zinc/50/89/58/1037508958.db2.gz HFGOFEXBRYAOTJ-QHCPKHFHSA-N 2 1 376.544 3.957 20 0 GHADMP O=C(C[C@@H]1CC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc21)NCC1CC1 ZINC001246656737 1037530511 /nfs/dbraw/zinc/53/05/11/1037530511.db2.gz DPNSLHSSEBCEKA-NHCUHLMSSA-N 2 1 395.591 3.566 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N4C[C@H]5C[C@@H](C4)[NH2+]5)C[C@@H]23)cc1 ZINC001246674889 1037539898 /nfs/dbraw/zinc/53/98/98/1037539898.db2.gz CFQPCJVKIILLAS-JQSCXEDISA-N 2 1 387.571 3.798 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)CC1 ZINC001246684653 1037549111 /nfs/dbraw/zinc/54/91/11/1037549111.db2.gz MTQGPVJCWQJURY-UEGSCFCSSA-N 2 1 384.564 3.752 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N4C[C@@H]5C[C@H]4C[NH2+]5)C[C@@H]23)cc1 ZINC001246689368 1037551478 /nfs/dbraw/zinc/55/14/78/1037551478.db2.gz JNFMUHVSSVWBLI-NQUGZWMISA-N 2 1 387.571 3.798 20 0 GHADMP CC[C@H]1C[C@H]([N@H+]2CCc3cc(C(=O)OC)c(-c4ccsc4)nc3CC2)CC[NH2+]1 ZINC001246705082 1037558654 /nfs/dbraw/zinc/55/86/54/1037558654.db2.gz WFJOFRGIMGJZIB-ZWKOTPCHSA-N 2 1 399.560 3.528 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)C[C@H](CC)[NH2+]1 ZINC001246716728 1037569426 /nfs/dbraw/zinc/56/94/26/1037569426.db2.gz GQPRRBXGMHDMOP-PMOLBWCYSA-N 2 1 382.527 3.993 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)CC[NH2+]1 ZINC001246729142 1037577560 /nfs/dbraw/zinc/57/75/60/1037577560.db2.gz NNGXEJVJFHBIHD-AKFKNWHVSA-N 2 1 383.580 3.730 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246739901 1037582069 /nfs/dbraw/zinc/58/20/69/1037582069.db2.gz OTAJWHQQALCOJY-VJBWXMMDSA-N 2 1 399.623 3.909 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+](C4CCC5(CCC[NH2+]C5)CC4)C3)CC2=O)c1 ZINC001246748940 1037587601 /nfs/dbraw/zinc/58/76/01/1037587601.db2.gz PSNLBBFSFFWUAJ-VZYOYLOZSA-N 2 1 381.564 3.736 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4CCC5(CC[NH2+]C5)CC4)CC3)C2)cc1 ZINC001246747924 1037588205 /nfs/dbraw/zinc/58/82/05/1037588205.db2.gz QUTSXHDCUYEEJW-UHFFFAOYSA-N 3 1 397.607 3.584 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+](C4CCC5(CC[NH2+]C5)CC4)CC3)C2)cc1 ZINC001246747924 1037588221 /nfs/dbraw/zinc/58/82/21/1037588221.db2.gz QUTSXHDCUYEEJW-UHFFFAOYSA-N 2 1 397.607 3.584 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246764390 1037606454 /nfs/dbraw/zinc/60/64/54/1037606454.db2.gz KEIDIMUNZDFFBS-MCFFVMPBSA-N 2 1 391.506 3.703 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246769489 1037610408 /nfs/dbraw/zinc/61/04/08/1037610408.db2.gz ISGCWVQCWQJDQB-HXUWFJFHSA-N 2 1 384.955 3.942 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246769489 1037610422 /nfs/dbraw/zinc/61/04/22/1037610422.db2.gz ISGCWVQCWQJDQB-HXUWFJFHSA-N 2 1 384.955 3.942 20 0 GHADMP CCOC(=O)CCC1CC[NH+]([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246789953 1037628800 /nfs/dbraw/zinc/62/88/00/1037628800.db2.gz KJSUTGQPFVFCHC-PZJWPPBQSA-N 2 1 376.516 3.983 20 0 GHADMP c1ccc(C(c2ccccc2)[C@H]2CCCC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246810950 1037645459 /nfs/dbraw/zinc/64/54/59/1037645459.db2.gz BQPDDAAMUUKVCG-XZOQPEGZSA-N 2 1 375.560 3.767 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246822463 1037655156 /nfs/dbraw/zinc/65/51/56/1037655156.db2.gz BAPZZWSSIHDUFN-WIYBCGNWSA-N 2 1 384.564 3.792 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246825533 1037658090 /nfs/dbraw/zinc/65/80/90/1037658090.db2.gz VPGYUTKSBXUOGV-HOUBMWHVSA-N 2 1 379.523 3.886 20 0 GHADMP COCCC[N@@H+]([C@H](C)CCc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001246837090 1037666122 /nfs/dbraw/zinc/66/61/22/1037666122.db2.gz QHDMRLZTVOSRMS-MRXNPFEDSA-N 2 1 383.374 3.861 20 0 GHADMP CCC(CC)[N@@H+]([C@@H]1CSC2(C[NH2+]C2)C1)C1CCN(Cc2ccccc2)CC1 ZINC001246846197 1037671875 /nfs/dbraw/zinc/67/18/75/1037671875.db2.gz QEXIDEINSMQWKA-QFIPXVFZSA-N 2 1 387.637 3.989 20 0 GHADMP CCOC(=O)[C@@]12Cc3ccccc3[C@@H](C[N@H+]([C@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C1)C2 ZINC001246882142 1037697378 /nfs/dbraw/zinc/69/73/78/1037697378.db2.gz WVRSKXGGFMXIKY-UVSNUMOOSA-N 2 1 384.564 3.891 20 0 GHADMP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001246882920 1037699250 /nfs/dbraw/zinc/69/92/50/1037699250.db2.gz KANZSBSVAYXABI-DENIHFKCSA-N 2 1 380.532 3.649 20 0 GHADMP Fc1ccc([C@H]2C[NH2+]CCN2[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246888847 1037703975 /nfs/dbraw/zinc/70/39/75/1037703975.db2.gz VMHQIBSTQPPWEE-NAVOZUGXSA-N 2 1 379.523 3.968 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246913039 1037721471 /nfs/dbraw/zinc/72/14/71/1037721471.db2.gz JLXXTMBTQDLKPL-DSITVLBTSA-N 2 1 377.576 3.946 20 0 GHADMP CC1(C)[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246923014 1037728203 /nfs/dbraw/zinc/72/82/03/1037728203.db2.gz AJMJBSVKHLOGHN-WWEVIYMKSA-N 2 1 376.500 3.821 20 0 GHADMP CC1(C)[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[C@@]12c1ccccc1OC2=O ZINC001246923014 1037728222 /nfs/dbraw/zinc/72/82/22/1037728222.db2.gz AJMJBSVKHLOGHN-WWEVIYMKSA-N 2 1 376.500 3.821 20 0 GHADMP CCOC(=O)CC1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246935186 1037737009 /nfs/dbraw/zinc/73/70/09/1037737009.db2.gz KAFYRWSXBPHDCA-FBPXKMNZSA-N 2 1 376.516 3.892 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CCC[NH2+]C2)CC1 ZINC001246935186 1037737033 /nfs/dbraw/zinc/73/70/33/1037737033.db2.gz KAFYRWSXBPHDCA-FBPXKMNZSA-N 2 1 376.516 3.892 20 0 GHADMP CO[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)C1 ZINC001246937364 1037741632 /nfs/dbraw/zinc/74/16/32/1037741632.db2.gz LNLSMGZBNXZODY-RBUKOAKNSA-N 2 1 381.358 3.961 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246960931 1037781161 /nfs/dbraw/zinc/78/11/61/1037781161.db2.gz FAHTWASKBBAYRB-PKOBYXMFSA-N 2 1 392.515 3.510 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246966973 1037790424 /nfs/dbraw/zinc/79/04/24/1037790424.db2.gz XTFSAKVEBCPPAI-BURNTYAHSA-N 2 1 388.552 3.889 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246974492 1037796963 /nfs/dbraw/zinc/79/69/63/1037796963.db2.gz BAKCZIIQQWEZRN-RBBKRZOGSA-N 3 1 382.527 3.889 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2CNCC[N@@H+]2C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001246975218 1037799297 /nfs/dbraw/zinc/79/92/97/1037799297.db2.gz NPHSDNJXRSMIFQ-FQEVSTJZSA-N 2 1 390.453 3.716 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2CNCC[N@H+]2C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001246975218 1037799318 /nfs/dbraw/zinc/79/93/18/1037799318.db2.gz NPHSDNJXRSMIFQ-FQEVSTJZSA-N 2 1 390.453 3.716 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+](C[C@@H]3CCC[NH2+]C3)C3CC3)CC[C@H]2C1 ZINC001246976999 1037803469 /nfs/dbraw/zinc/80/34/69/1037803469.db2.gz XIWBGTASYWJOEM-LTYHASHMSA-N 2 1 395.591 3.781 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+]([C@@H](C)CCc2ccc(Cl)c(Cl)c2)CCC12C[NH2+]C2 ZINC001247010878 1037836204 /nfs/dbraw/zinc/83/62/04/1037836204.db2.gz WIXULBFOULHMPN-GOEBONIOSA-N 2 1 399.362 3.789 20 0 GHADMP Clc1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001232280447 1038013023 /nfs/dbraw/zinc/01/30/23/1038013023.db2.gz CBBJYRGLTNIBOM-VQIMIIECSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001232280447 1038013027 /nfs/dbraw/zinc/01/30/27/1038013027.db2.gz CBBJYRGLTNIBOM-VQIMIIECSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001232280447 1038013034 /nfs/dbraw/zinc/01/30/34/1038013034.db2.gz CBBJYRGLTNIBOM-VQIMIIECSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001232280447 1038013045 /nfs/dbraw/zinc/01/30/45/1038013045.db2.gz CBBJYRGLTNIBOM-VQIMIIECSA-N 2 1 377.941 3.519 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cn3cc(F)ccc3n1)CC2 ZINC001232411052 1038194681 /nfs/dbraw/zinc/19/46/81/1038194681.db2.gz OENZAEOLPOBFDP-HXUWFJFHSA-N 2 1 382.483 3.943 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1N)CC2 ZINC001232508433 1038279243 /nfs/dbraw/zinc/27/92/43/1038279243.db2.gz NDEFFDDQLJAOIJ-NRFANRHFSA-N 2 1 383.511 3.663 20 0 GHADMP [NH3+][C@H](Cc1ccccc1F)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247647145 1038289800 /nfs/dbraw/zinc/28/98/00/1038289800.db2.gz OHOLTHRWTWGKOF-FHLIRTJZSA-N 2 1 379.439 3.580 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc3ccoc3cn1)CC2 ZINC001232549873 1038315708 /nfs/dbraw/zinc/31/57/08/1038315708.db2.gz GLHNAVRCJOAJNH-LJQANCHMSA-N 2 1 381.476 3.676 20 0 GHADMP CCOc1ccnc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001232580280 1038350748 /nfs/dbraw/zinc/35/07/48/1038350748.db2.gz SQTWAJOTKARKKY-UHFFFAOYSA-N 2 1 380.536 3.752 20 0 GHADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c2c(c1)CCCC2 ZINC001232637514 1038424966 /nfs/dbraw/zinc/42/49/66/1038424966.db2.gz VSGOMKUTQCDPAH-ILBGXUMGSA-N 2 1 391.559 3.683 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c2c(c1)CCCC2 ZINC001232637514 1038424969 /nfs/dbraw/zinc/42/49/69/1038424969.db2.gz VSGOMKUTQCDPAH-ILBGXUMGSA-N 2 1 391.559 3.683 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c2c(c1)CCCC2 ZINC001232637514 1038424973 /nfs/dbraw/zinc/42/49/73/1038424973.db2.gz VSGOMKUTQCDPAH-ILBGXUMGSA-N 2 1 391.559 3.683 20 0 GHADMP Cc1nc2cc(-c3noc([C@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)ccc2s1 ZINC001247906100 1038479325 /nfs/dbraw/zinc/47/93/25/1038479325.db2.gz UQLWQPLLGNFBFR-HNNXBMFYSA-N 2 1 383.521 3.586 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705759 1038505660 /nfs/dbraw/zinc/50/56/60/1038505660.db2.gz AUQHXFSQHAEDNN-LEWJYISDSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705759 1038505677 /nfs/dbraw/zinc/50/56/77/1038505677.db2.gz AUQHXFSQHAEDNN-LEWJYISDSA-N 2 1 396.506 3.956 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1F ZINC001232705759 1038505688 /nfs/dbraw/zinc/50/56/88/1038505688.db2.gz AUQHXFSQHAEDNN-LEWJYISDSA-N 2 1 396.506 3.956 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4ncsc43)CC[C@@H]21 ZINC001232734431 1038525523 /nfs/dbraw/zinc/52/55/23/1038525523.db2.gz VMKFHQLETWKUMU-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4ncsc43)CC[C@@H]21 ZINC001232734431 1038525528 /nfs/dbraw/zinc/52/55/28/1038525528.db2.gz VMKFHQLETWKUMU-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccc4ncsc43)CC[C@@H]21 ZINC001232734431 1038525532 /nfs/dbraw/zinc/52/55/32/1038525532.db2.gz VMKFHQLETWKUMU-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccc4ncsc43)CC[C@@H]21 ZINC001232734431 1038525535 /nfs/dbraw/zinc/52/55/35/1038525535.db2.gz VMKFHQLETWKUMU-DYXWJJEUSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)n1nc(CN(C)C)c2c1C[N@@H+](Cc1ccccc1-n1cccc1)CC2 ZINC001232912356 1038708548 /nfs/dbraw/zinc/70/85/48/1038708548.db2.gz VDKOYEIJEOGGIR-UHFFFAOYSA-N 2 1 377.536 3.875 20 0 GHADMP CC(C)n1nc(CN(C)C)c2c1CN(Cc1ccccc1-n1cccc1)CC2 ZINC001232912356 1038708552 /nfs/dbraw/zinc/70/85/52/1038708552.db2.gz VDKOYEIJEOGGIR-UHFFFAOYSA-N 2 1 377.536 3.875 20 0 GHADMP CCC[N@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462304305 1070156820 /nfs/dbraw/zinc/15/68/20/1070156820.db2.gz HJDJULUGENWSTI-FHWLQOOXSA-N 2 1 385.552 3.694 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC001462304305 1070156831 /nfs/dbraw/zinc/15/68/31/1070156831.db2.gz HJDJULUGENWSTI-FHWLQOOXSA-N 2 1 385.552 3.694 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H](O)c3cccc(Cl)c3)CC2)CC1 ZINC001252638241 1039058669 /nfs/dbraw/zinc/05/86/69/1039058669.db2.gz NJVMJAASQXZKRI-QFIPXVFZSA-N 3 1 394.003 3.502 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)c1cccc(Cl)c1 ZINC001252638241 1039058689 /nfs/dbraw/zinc/05/86/89/1039058689.db2.gz NJVMJAASQXZKRI-QFIPXVFZSA-N 3 1 394.003 3.502 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)c1cccc(Cl)c1 ZINC001252638241 1039058707 /nfs/dbraw/zinc/05/87/07/1039058707.db2.gz NJVMJAASQXZKRI-QFIPXVFZSA-N 3 1 394.003 3.502 20 0 GHADMP Cc1ccc(Cl)c(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1F ZINC001252949530 1039293531 /nfs/dbraw/zinc/29/35/31/1039293531.db2.gz OCKDVXALCHCXBR-OAQYLSRUSA-N 2 1 376.903 3.557 20 0 GHADMP CCCC[C@H](CC)COC[C@@H](O)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001252996575 1039325324 /nfs/dbraw/zinc/32/53/24/1039325324.db2.gz DOBICEAXLMDCFL-PMACEKPBSA-N 2 1 377.573 3.523 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252997702 1039326878 /nfs/dbraw/zinc/32/68/78/1039326878.db2.gz OKOXGYDVVSEVPJ-UWHLTILDSA-N 2 1 394.625 3.706 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252997702 1039326897 /nfs/dbraw/zinc/32/68/97/1039326897.db2.gz OKOXGYDVVSEVPJ-UWHLTILDSA-N 2 1 394.625 3.706 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252997702 1039326919 /nfs/dbraw/zinc/32/69/19/1039326919.db2.gz OKOXGYDVVSEVPJ-UWHLTILDSA-N 2 1 394.625 3.706 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252997702 1039326939 /nfs/dbraw/zinc/32/69/39/1039326939.db2.gz OKOXGYDVVSEVPJ-UWHLTILDSA-N 2 1 394.625 3.706 20 0 GHADMP CC[NH+](CC)C[C@H](O)CNc1ccc([NH+]2CCCCC2)cc1N1CCCCC1 ZINC001253195843 1039469280 /nfs/dbraw/zinc/46/92/80/1039469280.db2.gz SLUVJULTRAJTIY-OAQYLSRUSA-N 2 1 388.600 3.782 20 0 GHADMP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2CCc4[nH+]ccn4C2)cc13 ZINC001233940141 1039716502 /nfs/dbraw/zinc/71/65/02/1039716502.db2.gz BAMWFXRIMKDWFF-LNGMVNIQSA-N 2 1 377.532 3.965 20 0 GHADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2CCc4[nH+]ccn4C2)cc13 ZINC001233940141 1039716520 /nfs/dbraw/zinc/71/65/20/1039716520.db2.gz BAMWFXRIMKDWFF-LNGMVNIQSA-N 2 1 377.532 3.965 20 0 GHADMP OC1(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254035755 1039967856 /nfs/dbraw/zinc/96/78/56/1039967856.db2.gz BDGIVXUJYRNAFS-DEOSSOPVSA-N 2 1 378.560 3.968 20 0 GHADMP CC[N@@H+](CCc1ccc(OC)cc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254041658 1039971099 /nfs/dbraw/zinc/97/10/99/1039971099.db2.gz NLOISMIAIZPZMM-UHFFFAOYSA-N 2 1 382.548 3.587 20 0 GHADMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296343 1040146740 /nfs/dbraw/zinc/14/67/40/1040146740.db2.gz QIXXMSJBKUCDDT-UYAOXDASSA-N 2 1 375.557 3.873 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001254308357 1040160165 /nfs/dbraw/zinc/16/01/65/1040160165.db2.gz RGSMWLCJFXEBHJ-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001254308357 1040160174 /nfs/dbraw/zinc/16/01/74/1040160174.db2.gz RGSMWLCJFXEBHJ-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC001254343957 1040178146 /nfs/dbraw/zinc/17/81/46/1040178146.db2.gz JJPIPEKBJXTUNN-HSZRJFAPSA-N 2 1 398.595 3.701 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+]=C2CN(Cc2ccccc2)c2ccccc2)CC1 ZINC001254507179 1040285822 /nfs/dbraw/zinc/28/58/22/1040285822.db2.gz ITTGZTFSXXNESB-HSZRJFAPSA-N 2 1 376.548 3.892 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506572 1040286187 /nfs/dbraw/zinc/28/61/87/1040286187.db2.gz UKPJONDDYVXULL-FYYLOGMGSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506572 1040286208 /nfs/dbraw/zinc/28/62/08/1040286208.db2.gz UKPJONDDYVXULL-FYYLOGMGSA-N 2 1 396.531 3.944 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459252 1070268389 /nfs/dbraw/zinc/26/83/89/1070268389.db2.gz SIWIGZRRFOODGW-QHCPKHFHSA-N 2 1 395.547 3.900 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459252 1070268403 /nfs/dbraw/zinc/26/84/03/1070268403.db2.gz SIWIGZRRFOODGW-QHCPKHFHSA-N 2 1 395.547 3.900 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)ccn1 ZINC001462459252 1070268415 /nfs/dbraw/zinc/26/84/15/1070268415.db2.gz SIWIGZRRFOODGW-QHCPKHFHSA-N 2 1 395.547 3.900 20 0 GHADMP CC(C)[NH+](CC[NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)C(C)C ZINC001254711817 1040470928 /nfs/dbraw/zinc/47/09/28/1040470928.db2.gz DGLSVBIBQMMHSM-UHFFFAOYSA-N 2 1 397.604 3.644 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234987796 1040482879 /nfs/dbraw/zinc/48/28/79/1040482879.db2.gz ODISATIQCMXXPV-FQEVSTJZSA-N 2 1 375.438 3.510 20 0 GHADMP CN(c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1)c1ccccc1F ZINC001235021854 1040514519 /nfs/dbraw/zinc/51/45/19/1040514519.db2.gz KKTPBCNARRKZHB-QHCPKHFHSA-N 2 1 383.511 3.796 20 0 GHADMP CN(c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1)c1ccccc1F ZINC001235021854 1040514540 /nfs/dbraw/zinc/51/45/40/1040514540.db2.gz KKTPBCNARRKZHB-QHCPKHFHSA-N 2 1 383.511 3.796 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)s2)c1 ZINC001235063600 1040552329 /nfs/dbraw/zinc/55/23/29/1040552329.db2.gz UGNDRGKDKCCJJX-GOSISDBHSA-N 2 1 381.467 3.571 20 0 GHADMP FC(F)(F)c1cccc(-c2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)s2)c1 ZINC001235063600 1040552346 /nfs/dbraw/zinc/55/23/46/1040552346.db2.gz UGNDRGKDKCCJJX-GOSISDBHSA-N 2 1 381.467 3.571 20 0 GHADMP FC(F)(F)Oc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC001235091387 1040580115 /nfs/dbraw/zinc/58/01/15/1040580115.db2.gz AQMSQIHZPLVKCF-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC(=O)c1cccs1 ZINC001235092984 1040583506 /nfs/dbraw/zinc/58/35/06/1040583506.db2.gz MWSJWTNUUVEGJD-UHFFFAOYSA-N 2 1 386.517 3.551 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235160564 1040653136 /nfs/dbraw/zinc/65/31/36/1040653136.db2.gz PQRJBYOGKWZIQJ-SFHVURJKSA-N 2 1 395.341 3.590 20 0 GHADMP Ic1csc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235158662 1040654280 /nfs/dbraw/zinc/65/42/80/1040654280.db2.gz LZHXJYIJFRRCCB-OAHLLOKOSA-N 2 1 390.334 3.707 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC001254966559 1040695277 /nfs/dbraw/zinc/69/52/77/1040695277.db2.gz YZDMTKZAKCHAAG-WPVAHCMFSA-N 2 1 379.589 3.732 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001235221203 1040701866 /nfs/dbraw/zinc/70/18/66/1040701866.db2.gz IILAZCANAJHNSA-GGAORHGYSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001235221203 1040701881 /nfs/dbraw/zinc/70/18/81/1040701881.db2.gz IILAZCANAJHNSA-GGAORHGYSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001235221203 1040701897 /nfs/dbraw/zinc/70/18/97/1040701897.db2.gz IILAZCANAJHNSA-GGAORHGYSA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc(Br)c(F)c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235236614 1040716201 /nfs/dbraw/zinc/71/62/01/1040716201.db2.gz FSNVETPBFUDNRE-MRXNPFEDSA-N 2 1 385.321 3.951 20 0 GHADMP Cc1cccc(Cl)c1C(=[NH2+])NC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255000285 1040722170 /nfs/dbraw/zinc/72/21/70/1040722170.db2.gz WONZAHUTNITPSR-YQQQUEKLSA-N 2 1 383.923 3.995 20 0 GHADMP Cc1cccc(Cl)c1C(=[NH2+])NC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001255000285 1040722183 /nfs/dbraw/zinc/72/21/83/1040722183.db2.gz WONZAHUTNITPSR-YQQQUEKLSA-N 2 1 383.923 3.995 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CCC[N@@H+]3CC2(c3ccccc3)CCOCC2)cc1 ZINC001235248883 1040730714 /nfs/dbraw/zinc/73/07/14/1040730714.db2.gz ZPKQQKPFNVXMBW-ILBGXUMGSA-N 2 1 376.544 3.956 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4Cc5ccccc5C4)CC3)C2)cc1 ZINC001255024031 1040736139 /nfs/dbraw/zinc/73/61/39/1040736139.db2.gz BVPUJZAKPPFENN-UHFFFAOYSA-N 2 1 376.544 3.829 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cccc(C(F)F)c1)C2 ZINC001235326513 1040796201 /nfs/dbraw/zinc/79/62/01/1040796201.db2.gz ZHRCXCIWCGQRJW-PGRDOPGGSA-N 2 1 392.490 3.769 20 0 GHADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255125953 1040816789 /nfs/dbraw/zinc/81/67/89/1040816789.db2.gz IHSBCPGEOXXMKJ-OWZKRDHZSA-N 2 1 385.552 3.829 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(-c4ccc(F)cc4)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235348245 1040823448 /nfs/dbraw/zinc/82/34/48/1040823448.db2.gz ACBUIQCRDMIXSH-URXFXBBRSA-N 2 1 396.506 3.857 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CN(c4ccccc4)CCO2)C3)cc1 ZINC001255130545 1040826108 /nfs/dbraw/zinc/82/61/08/1040826108.db2.gz VRMBDCCKFFUJSN-RVFVQDDPSA-N 2 1 391.559 3.677 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc4c5ccccc5oc43)C[C@@H]1CC[NH2+]CC2 ZINC001235350042 1040827239 /nfs/dbraw/zinc/82/72/39/1040827239.db2.gz RQDVFFRYTWFBHR-UUOWRZLLSA-N 2 1 392.499 3.951 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235354237 1040830673 /nfs/dbraw/zinc/83/06/73/1040830673.db2.gz CBMRDYKBPVAGSG-UYAOXDASSA-N 2 1 391.437 3.747 20 0 GHADMP Nc1ccc(OC(F)(F)F)cc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235354237 1040830681 /nfs/dbraw/zinc/83/06/81/1040830681.db2.gz CBMRDYKBPVAGSG-UYAOXDASSA-N 2 1 391.437 3.747 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255139670 1040845652 /nfs/dbraw/zinc/84/56/52/1040845652.db2.gz GCYOEDRHAJKMEP-UWHLTILDSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255139670 1040845656 /nfs/dbraw/zinc/84/56/56/1040845656.db2.gz GCYOEDRHAJKMEP-UWHLTILDSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255139670 1040845659 /nfs/dbraw/zinc/84/56/59/1040845659.db2.gz GCYOEDRHAJKMEP-UWHLTILDSA-N 2 1 385.552 3.781 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255139670 1040845667 /nfs/dbraw/zinc/84/56/67/1040845667.db2.gz GCYOEDRHAJKMEP-UWHLTILDSA-N 2 1 385.552 3.781 20 0 GHADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363715 1040848751 /nfs/dbraw/zinc/84/87/51/1040848751.db2.gz JQVUVXOEBQFCPM-RCZVLFRGSA-N 2 1 387.527 3.997 20 0 GHADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235363715 1040848777 /nfs/dbraw/zinc/84/87/77/1040848777.db2.gz JQVUVXOEBQFCPM-RCZVLFRGSA-N 2 1 387.527 3.997 20 0 GHADMP CC1(C(=O)N2CCCC2)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255145833 1040859367 /nfs/dbraw/zinc/85/93/67/1040859367.db2.gz VMMAUMCLVJEKPL-JKHIJQBDSA-N 2 1 395.591 3.907 20 0 GHADMP COC1CC[NH+](C2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)CC1 ZINC001255148992 1040863139 /nfs/dbraw/zinc/86/31/39/1040863139.db2.gz DXEXBJCPGGGAIF-BKFWDETESA-N 2 1 397.607 3.757 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@@H]2C[N@@H+](Cc2cccc(-c4ncccn4)c2)CC3)cc1 ZINC001235368199 1040865413 /nfs/dbraw/zinc/86/54/13/1040865413.db2.gz JAECOUWTKNXZFV-ILBGXUMGSA-N 2 1 384.527 3.897 20 0 GHADMP CCN1CC2(CC1=O)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255150091 1040865430 /nfs/dbraw/zinc/86/54/30/1040865430.db2.gz LSAIFFRZLOABQC-ZBYYUNFXSA-N 2 1 381.564 3.516 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235369374 1040870589 /nfs/dbraw/zinc/87/05/89/1040870589.db2.gz MGAYELBKDMWCJC-ZCYQVOJMSA-N 2 1 386.543 3.934 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)ncn1 ZINC001255151196 1040872331 /nfs/dbraw/zinc/87/23/31/1040872331.db2.gz SZEAOKXJFSLPQE-KOUNCHBCSA-N 2 1 392.547 3.824 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235377969 1040892340 /nfs/dbraw/zinc/89/23/40/1040892340.db2.gz XWHVZPLZAHYFHG-RPWUZVMVSA-N 2 1 380.532 3.681 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001255188949 1040894650 /nfs/dbraw/zinc/89/46/50/1040894650.db2.gz QUHFJCKVHPVSHC-MYGLTJDJSA-N 2 1 385.552 3.640 20 0 GHADMP Clc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235379373 1040898469 /nfs/dbraw/zinc/89/84/69/1040898469.db2.gz OXFSBVHLVMIRPN-XKCSPQBFSA-N 2 1 398.934 3.872 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC([NH3+])(c3cccc(Cl)c3)CC1)C2 ZINC001255194045 1040900797 /nfs/dbraw/zinc/90/07/97/1040900797.db2.gz ZZKVVVLGHMAQML-BWTSREIZSA-N 2 1 391.943 3.742 20 0 GHADMP CCOc1cc(O)cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001235396610 1040911274 /nfs/dbraw/zinc/91/12/74/1040911274.db2.gz NPKFODBHYVMYFZ-UHFFFAOYSA-N 2 1 381.520 3.674 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432291 1040933949 /nfs/dbraw/zinc/93/39/49/1040933949.db2.gz WVVCOSGSXIKLKB-KBPBESRZSA-N 2 1 385.321 3.808 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432291 1040933951 /nfs/dbraw/zinc/93/39/51/1040933951.db2.gz WVVCOSGSXIKLKB-KBPBESRZSA-N 2 1 385.321 3.808 20 0 GHADMP Brc1ccc2oc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433196 1040934549 /nfs/dbraw/zinc/93/45/49/1040934549.db2.gz XUTGIRHEHRRPAC-KGLIPLIRSA-N 2 1 378.314 3.802 20 0 GHADMP Brc1ccc2oc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433198 1040935174 /nfs/dbraw/zinc/93/51/74/1040935174.db2.gz XUTGIRHEHRRPAC-UONOGXRCSA-N 2 1 378.314 3.802 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C[C@@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC001235483972 1040956361 /nfs/dbraw/zinc/95/63/61/1040956361.db2.gz UVLVROQRVVRAMN-JTHBVZDNSA-N 2 1 379.548 3.671 20 0 GHADMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1Cc3ccccc3CN1)CC2 ZINC001235483972 1040956363 /nfs/dbraw/zinc/95/63/63/1040956363.db2.gz UVLVROQRVVRAMN-JTHBVZDNSA-N 2 1 379.548 3.671 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](C[C@@H]1Cc3ccccc3CN1)CC2 ZINC001235483972 1040956364 /nfs/dbraw/zinc/95/63/64/1040956364.db2.gz UVLVROQRVVRAMN-JTHBVZDNSA-N 2 1 379.548 3.671 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)ccc1OC1COC1 ZINC001255386181 1040974681 /nfs/dbraw/zinc/97/46/81/1040974681.db2.gz KWUNDJJJSDADFI-OAQYLSRUSA-N 2 1 396.531 3.617 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001255384571 1040974757 /nfs/dbraw/zinc/97/47/57/1040974757.db2.gz ZEYKEYRYGOZYFC-HSZRJFAPSA-N 2 1 380.532 3.937 20 0 GHADMP O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389366 1040976857 /nfs/dbraw/zinc/97/68/57/1040976857.db2.gz LWXYSBRNASIGBE-CTNGQTDRSA-N 2 1 383.923 3.848 20 0 GHADMP O=C1Nc2cc(Cl)ccc2C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389366 1040976858 /nfs/dbraw/zinc/97/68/58/1040976858.db2.gz LWXYSBRNASIGBE-CTNGQTDRSA-N 2 1 383.923 3.848 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C[C@@H]3CN(c4ccccc4)CCO3)CC2)cc1 ZINC001255388980 1040977494 /nfs/dbraw/zinc/97/74/94/1040977494.db2.gz AYZSZVAFGSICBA-LADGPHEKSA-N 2 1 379.548 3.536 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389829 1040977957 /nfs/dbraw/zinc/97/79/57/1040977957.db2.gz UIFQZUNJYMEXCS-UXHICEINSA-N 2 1 375.557 3.934 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccc5n4CC[NH2+]C5)CC3)CC2)cc1 ZINC001235533860 1040978760 /nfs/dbraw/zinc/97/87/60/1040978760.db2.gz XPRVRNSRNVXYQV-UHFFFAOYSA-N 2 1 392.591 3.778 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cc4c(s2)C[NH2+]CC4)CCO3)c1 ZINC001235536288 1040979870 /nfs/dbraw/zinc/97/98/70/1040979870.db2.gz HVJRIYCRXKYZNW-QHCPKHFHSA-N 2 1 397.588 3.574 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cc4c(s2)C[NH2+]CC4)CCO3)c1 ZINC001235536288 1040979875 /nfs/dbraw/zinc/97/98/75/1040979875.db2.gz HVJRIYCRXKYZNW-QHCPKHFHSA-N 2 1 397.588 3.574 20 0 GHADMP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235545244 1040981754 /nfs/dbraw/zinc/98/17/54/1040981754.db2.gz ALHZQAXZBWZKOW-GOSISDBHSA-N 2 1 386.584 3.746 20 0 GHADMP C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1CC1CC2(C1)CC[NH2+]CC2 ZINC001235545244 1040981755 /nfs/dbraw/zinc/98/17/55/1040981755.db2.gz ALHZQAXZBWZKOW-GOSISDBHSA-N 2 1 386.584 3.746 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255397077 1040983577 /nfs/dbraw/zinc/98/35/77/1040983577.db2.gz DRPANVRNQNXGKJ-QHCPKHFHSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255397077 1040983587 /nfs/dbraw/zinc/98/35/87/1040983587.db2.gz DRPANVRNQNXGKJ-QHCPKHFHSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255397077 1040983588 /nfs/dbraw/zinc/98/35/88/1040983588.db2.gz DRPANVRNQNXGKJ-QHCPKHFHSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255397077 1040983591 /nfs/dbraw/zinc/98/35/91/1040983591.db2.gz DRPANVRNQNXGKJ-QHCPKHFHSA-N 2 1 378.516 3.886 20 0 GHADMP c1ccn(-c2ccccc2C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001235556517 1040985448 /nfs/dbraw/zinc/98/54/48/1040985448.db2.gz CWDOEBXPFCEOSP-UHFFFAOYSA-N 2 1 375.520 3.722 20 0 GHADMP CN(CC[N@@H+](C)[C@@H]1CCC[NH+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399624 1040985567 /nfs/dbraw/zinc/98/55/67/1040985567.db2.gz WMDQLMXPLUPKJI-HXUWFJFHSA-N 2 1 375.557 3.840 20 0 GHADMP CN(CC[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399624 1040985572 /nfs/dbraw/zinc/98/55/72/1040985572.db2.gz WMDQLMXPLUPKJI-HXUWFJFHSA-N 2 1 375.557 3.840 20 0 GHADMP CN(CC[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001255399624 1040985575 /nfs/dbraw/zinc/98/55/75/1040985575.db2.gz WMDQLMXPLUPKJI-HXUWFJFHSA-N 2 1 375.557 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400576 1040986509 /nfs/dbraw/zinc/98/65/09/1040986509.db2.gz MGBYANCEOFSJDO-FKBYEOEOSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400576 1040986517 /nfs/dbraw/zinc/98/65/17/1040986517.db2.gz MGBYANCEOFSJDO-FKBYEOEOSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400576 1040986519 /nfs/dbraw/zinc/98/65/19/1040986519.db2.gz MGBYANCEOFSJDO-FKBYEOEOSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@@H]21 ZINC001255400576 1040986521 /nfs/dbraw/zinc/98/65/21/1040986521.db2.gz MGBYANCEOFSJDO-FKBYEOEOSA-N 2 1 399.579 3.982 20 0 GHADMP O=C1[C@H]2C[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccsc1 ZINC001255402307 1040988791 /nfs/dbraw/zinc/98/87/91/1040988791.db2.gz HFLFIOAYXXAQCH-ONTIZHBOSA-N 2 1 395.572 3.697 20 0 GHADMP O=C1[C@H]2C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccsc1 ZINC001255402307 1040988797 /nfs/dbraw/zinc/98/87/97/1040988797.db2.gz HFLFIOAYXXAQCH-ONTIZHBOSA-N 2 1 395.572 3.697 20 0 GHADMP O=C1[C@H]2C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccsc1 ZINC001255402307 1040988799 /nfs/dbraw/zinc/98/87/99/1040988799.db2.gz HFLFIOAYXXAQCH-ONTIZHBOSA-N 2 1 395.572 3.697 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409696 1040996872 /nfs/dbraw/zinc/99/68/72/1040996872.db2.gz LDCKKNHDMBSDFY-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409696 1040996874 /nfs/dbraw/zinc/99/68/74/1040996874.db2.gz LDCKKNHDMBSDFY-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409696 1040996875 /nfs/dbraw/zinc/99/68/75/1040996875.db2.gz LDCKKNHDMBSDFY-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1nccnc1O[C@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409696 1040996877 /nfs/dbraw/zinc/99/68/77/1040996877.db2.gz LDCKKNHDMBSDFY-VXKWHMMOSA-N 2 1 380.536 3.683 20 0 GHADMP COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255409603 1040997869 /nfs/dbraw/zinc/99/78/69/1040997869.db2.gz IUGCJWQTXGBAPH-OAQYLSRUSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255409603 1040997870 /nfs/dbraw/zinc/99/78/70/1040997870.db2.gz IUGCJWQTXGBAPH-OAQYLSRUSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1cccc2c1CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255409603 1040997872 /nfs/dbraw/zinc/99/78/72/1040997872.db2.gz IUGCJWQTXGBAPH-OAQYLSRUSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1cccc2c1CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255409603 1040997884 /nfs/dbraw/zinc/99/78/84/1040997884.db2.gz IUGCJWQTXGBAPH-OAQYLSRUSA-N 2 1 378.516 3.886 20 0 GHADMP COc1cc(C)c(C)cc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235650658 1041092529 /nfs/dbraw/zinc/09/25/29/1041092529.db2.gz UBFMHNNYEZSRTM-UHFFFAOYSA-N 2 1 382.552 3.947 20 0 GHADMP COc1cc(C)c(C)cc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235650658 1041092549 /nfs/dbraw/zinc/09/25/49/1041092549.db2.gz UBFMHNNYEZSRTM-UHFFFAOYSA-N 2 1 382.552 3.947 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+]([C@@H](C)CC(F)(F)F)CC2 ZINC001255649556 1041190001 /nfs/dbraw/zinc/19/00/01/1041190001.db2.gz BVVFFQNNSZULNU-FUHWJXTLSA-N 2 1 392.506 3.557 20 0 GHADMP C[C@@H](CSc1ccc(F)cc1)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001255728089 1041250877 /nfs/dbraw/zinc/25/08/77/1041250877.db2.gz MLWBFMLHHYSLIT-SFHVURJKSA-N 2 1 387.568 3.844 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001255735768 1041254871 /nfs/dbraw/zinc/25/48/71/1041254871.db2.gz NBQLJNNKXCPKDK-JUXOCIIHSA-N 2 1 388.552 3.779 20 0 GHADMP C[C@H](CSc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001255735768 1041254884 /nfs/dbraw/zinc/25/48/84/1041254884.db2.gz NBQLJNNKXCPKDK-JUXOCIIHSA-N 2 1 388.552 3.779 20 0 GHADMP C[C@@H](Cc1ccccc1F)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001255844838 1041337854 /nfs/dbraw/zinc/33/78/54/1041337854.db2.gz LWVPJXWIEWJTTI-UGKGYDQZSA-N 2 1 397.538 3.907 20 0 GHADMP CC1(N2CC[NH+](Cc3ccc(-c4ccccc4Cl)nc3)CC2)CC[NH2+]CC1 ZINC001235822658 1041339837 /nfs/dbraw/zinc/33/98/37/1041339837.db2.gz QKNHFGJSAGZQPL-UHFFFAOYSA-N 2 1 384.955 3.662 20 0 GHADMP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235839869 1041368987 /nfs/dbraw/zinc/36/89/87/1041368987.db2.gz IDHLDBMNQZTSGV-DEOSSOPVSA-N 2 1 379.548 3.828 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)C1 ZINC001255911681 1041394751 /nfs/dbraw/zinc/39/47/51/1041394751.db2.gz LJWOXIWXHAOEJO-BZSNNMDCSA-N 2 1 391.581 3.511 20 0 GHADMP Clc1ccc2nc(N3CCC[N@@H+](CCC4CC[NH2+]CC4)CC3)sc2c1 ZINC001235884950 1041410609 /nfs/dbraw/zinc/41/06/09/1041410609.db2.gz NMIFWHDMKFHVPV-UHFFFAOYSA-N 2 1 378.973 3.852 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)n2)cc1 ZINC001235937143 1041442024 /nfs/dbraw/zinc/44/20/24/1041442024.db2.gz IAIFHOMWEXDRCG-HZPDHXFCSA-N 2 1 377.410 3.689 20 0 GHADMP COCC[N@@H+](Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C1CC[NH2+]CC1 ZINC001235942014 1041448336 /nfs/dbraw/zinc/44/83/36/1041448336.db2.gz BGVQVLQQUZLUMZ-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP c1c(C[N@@H+]2CCC[C@H](OCc3ccccc3)C2)c2cccc3c2n1CC[NH2+]C3 ZINC001235958008 1041466862 /nfs/dbraw/zinc/46/68/62/1041466862.db2.gz BCORVZBACAMUKN-QFIPXVFZSA-N 2 1 375.516 3.926 20 0 GHADMP CC(C)Oc1ccccc1OC1CC[NH+](C[C@@H]2[C@@H](C)C[NH2+]CC2(F)F)CC1 ZINC001235968608 1041473749 /nfs/dbraw/zinc/47/37/49/1041473749.db2.gz JTGQXDXGSBQNDP-FUHWJXTLSA-N 2 1 382.495 3.808 20 0 GHADMP Cc1cc(Br)cnc1C[N@@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235974679 1041480088 /nfs/dbraw/zinc/48/00/88/1041480088.db2.gz TWUHEXUQZXDDDR-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP Cc1cc(Br)cnc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235974679 1041480093 /nfs/dbraw/zinc/48/00/93/1041480093.db2.gz TWUHEXUQZXDDDR-UHFFFAOYSA-N 2 1 386.337 3.790 20 0 GHADMP COc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1OC(F)F ZINC001235976030 1041482393 /nfs/dbraw/zinc/48/23/93/1041482393.db2.gz ZEXHXHZRTPSRSZ-UHFFFAOYSA-N 2 1 388.458 3.934 20 0 GHADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC3(COc4ccc(C(F)(F)F)cc43)CC2)CO1 ZINC001236005775 1041496530 /nfs/dbraw/zinc/49/65/30/1041496530.db2.gz PDFXDILWDYATKA-HNNXBMFYSA-N 2 1 384.442 3.546 20 0 GHADMP COc1ccc2c(Br)ccc(C[NH+]3CC4(C3)CCC[NH2+]CC4)c2n1 ZINC001236009684 1041502197 /nfs/dbraw/zinc/50/21/97/1041502197.db2.gz PATABJNCPFNANZ-UHFFFAOYSA-N 2 1 390.325 3.581 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1OC(F)(F)F ZINC001236010335 1041502713 /nfs/dbraw/zinc/50/27/13/1041502713.db2.gz STTNQLSWZCDWBV-XLIONFOSSA-N 2 1 392.421 3.567 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1OC(F)(F)F ZINC001236010335 1041502725 /nfs/dbraw/zinc/50/27/25/1041502725.db2.gz STTNQLSWZCDWBV-XLIONFOSSA-N 2 1 392.421 3.567 20 0 GHADMP FC(F)(F)c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC1CCOCC1 ZINC001256071797 1041507301 /nfs/dbraw/zinc/50/73/01/1041507301.db2.gz PSBONCRREIEEIB-UHFFFAOYSA-N 2 1 398.469 3.980 20 0 GHADMP Fc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC001236066626 1041519448 /nfs/dbraw/zinc/51/94/48/1041519448.db2.gz PCLPBFCUDFYQGX-UHFFFAOYSA-N 2 1 399.457 3.874 20 0 GHADMP COC(=O)[C@H]([NH3+])C1CC[NH+](Cc2ccc3ccc(-c4ccccc4)nc3c2)CC1 ZINC001236065473 1041519476 /nfs/dbraw/zinc/51/94/76/1041519476.db2.gz ANKMWWHMQVJPSW-HSZRJFAPSA-N 2 1 389.499 3.614 20 0 GHADMP [NH3+]CC1CN([C@H]2CCC[N@@H+](Cc3ccccc3Oc3ccc(Cl)cc3)C2)C1 ZINC001236081041 1041526279 /nfs/dbraw/zinc/52/62/79/1041526279.db2.gz WZVMFTCCSYXOEC-FQEVSTJZSA-N 2 1 385.939 3.987 20 0 GHADMP CCC[N@@H+](Cc1ccc(Br)c2ccc(OC)nc12)C1CC[NH2+]CC1 ZINC001236184710 1041603768 /nfs/dbraw/zinc/60/37/68/1041603768.db2.gz MHVKPDXLSQLOJC-UHFFFAOYSA-N 2 1 392.341 3.970 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242045 1041640190 /nfs/dbraw/zinc/64/01/90/1041640190.db2.gz VLVXPKLVFWYVKN-RUZDIDTESA-N 2 1 375.560 3.820 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242045 1041640194 /nfs/dbraw/zinc/64/01/94/1041640194.db2.gz VLVXPKLVFWYVKN-RUZDIDTESA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242045 1041640196 /nfs/dbraw/zinc/64/01/96/1041640196.db2.gz VLVXPKLVFWYVKN-RUZDIDTESA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242045 1041640200 /nfs/dbraw/zinc/64/02/00/1041640200.db2.gz VLVXPKLVFWYVKN-RUZDIDTESA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242045 1041640202 /nfs/dbraw/zinc/64/02/02/1041640202.db2.gz VLVXPKLVFWYVKN-RUZDIDTESA-N 3 1 375.560 3.820 20 0 GHADMP C[NH+]1CCC([NH+]2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)CC1 ZINC001256203563 1041646989 /nfs/dbraw/zinc/64/69/89/1041646989.db2.gz JKOWEBROAHDXJC-FQEVSTJZSA-N 2 1 395.591 3.518 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)c1 ZINC001236304596 1041666138 /nfs/dbraw/zinc/66/61/38/1041666138.db2.gz LNNJQHOSCOWZLC-OAQYLSRUSA-N 2 1 379.548 3.560 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC(c4ccc(N)cc4)CC3)ccc2F)CC1 ZINC001236337121 1041676654 /nfs/dbraw/zinc/67/66/54/1041676654.db2.gz RHECRUYQXRIIOP-UHFFFAOYSA-N 2 1 382.527 3.539 20 0 GHADMP Brc1cc2c(cc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)OCO2 ZINC001236374426 1041686160 /nfs/dbraw/zinc/68/61/60/1041686160.db2.gz RFFMYQYTCWZMCN-AWEZNQCLSA-N 2 1 395.341 3.922 20 0 GHADMP Brc1cc2c(cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1)OCO2 ZINC001236374426 1041686167 /nfs/dbraw/zinc/68/61/67/1041686167.db2.gz RFFMYQYTCWZMCN-AWEZNQCLSA-N 2 1 395.341 3.922 20 0 GHADMP Brc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC001236372863 1041686363 /nfs/dbraw/zinc/68/63/63/1041686363.db2.gz DXNGUPUNTXMNPI-CQSZACIVSA-N 2 1 395.341 3.922 20 0 GHADMP COc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc(OC)c1O ZINC001236383538 1041691665 /nfs/dbraw/zinc/69/16/65/1041691665.db2.gz SYVIKXFEAJFGFZ-UHFFFAOYSA-N 2 1 388.483 3.550 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(F)c1O ZINC001236384796 1041692691 /nfs/dbraw/zinc/69/26/91/1041692691.db2.gz DBPYBIAWLSNQPE-UHFFFAOYSA-N 2 1 376.447 3.681 20 0 GHADMP CC(C)(C)c1cccc(C[N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)c1 ZINC001236386247 1041693456 /nfs/dbraw/zinc/69/34/56/1041693456.db2.gz FCQRAJRKBXPUAF-UHFFFAOYSA-N 2 1 387.612 3.508 20 0 GHADMP Brc1coc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278928734 1041699861 /nfs/dbraw/zinc/69/98/61/1041699861.db2.gz KCFKATHFUZEASW-GASCZTMLSA-N 2 1 378.314 3.714 20 0 GHADMP Brc1coc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278928734 1041699867 /nfs/dbraw/zinc/69/98/67/1041699867.db2.gz KCFKATHFUZEASW-GASCZTMLSA-N 2 1 378.314 3.714 20 0 GHADMP Brc1coc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001278928734 1041699877 /nfs/dbraw/zinc/69/98/77/1041699877.db2.gz KCFKATHFUZEASW-GASCZTMLSA-N 2 1 378.314 3.714 20 0 GHADMP CC[N@@H+](Cc1cc(Br)ccc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236408420 1041704593 /nfs/dbraw/zinc/70/45/93/1041704593.db2.gz LUSOSSMDKQDODP-NSHDSACASA-N 2 1 381.236 3.779 20 0 GHADMP CC[N@H+](Cc1cc(Br)ccc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236408420 1041704603 /nfs/dbraw/zinc/70/46/03/1041704603.db2.gz LUSOSSMDKQDODP-NSHDSACASA-N 2 1 381.236 3.779 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2cccc(-c3ccccc3C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC001236409932 1041705694 /nfs/dbraw/zinc/70/56/94/1041705694.db2.gz ANYRWAWPFZTOGG-HKUYNNGSSA-N 2 1 392.421 3.695 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC001236409932 1041705702 /nfs/dbraw/zinc/70/57/02/1041705702.db2.gz ANYRWAWPFZTOGG-HKUYNNGSSA-N 2 1 392.421 3.695 20 0 GHADMP CC(C)(C)C[N@@H+](Cc1cc(I)cs1)C1CC[NH2+]CC1 ZINC001236457379 1041721590 /nfs/dbraw/zinc/72/15/90/1041721590.db2.gz NFRHRJFZFQWGQD-UHFFFAOYSA-N 2 1 392.350 3.953 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cc(C)c(OC)cc2C)C2CC[NH2+]CC2)c1 ZINC001236465245 1041727450 /nfs/dbraw/zinc/72/74/50/1041727450.db2.gz QSGHEQPECPBKBA-UHFFFAOYSA-N 2 1 396.531 3.853 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)c(OC)cc2C)C2CC[NH2+]CC2)c1 ZINC001236465245 1041727454 /nfs/dbraw/zinc/72/74/54/1041727454.db2.gz QSGHEQPECPBKBA-UHFFFAOYSA-N 2 1 396.531 3.853 20 0 GHADMP CC(C)C[N@H+](Cc1ccc(Br)c2nsnc21)[C@@H]1CCC[NH2+]C1 ZINC001236478646 1041733183 /nfs/dbraw/zinc/73/31/83/1041733183.db2.gz JVCWNCAGEBPZLU-CYBMUJFWSA-N 2 1 383.359 3.664 20 0 GHADMP CC(C)C[N@@H+](Cc1ccc(Br)c2nsnc21)[C@@H]1CCC[NH2+]C1 ZINC001236478646 1041733186 /nfs/dbraw/zinc/73/31/86/1041733186.db2.gz JVCWNCAGEBPZLU-CYBMUJFWSA-N 2 1 383.359 3.664 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256463406 1041744138 /nfs/dbraw/zinc/74/41/38/1041744138.db2.gz PFZLKGXJBAOAMR-VQIMIIECSA-N 2 1 391.531 3.864 20 0 GHADMP COc1ccc(CN(Cc2[nH+]cc(C)c(OC)c2C)C2CC[NH2+]CC2)cc1F ZINC001236515957 1041749658 /nfs/dbraw/zinc/74/96/58/1041749658.db2.gz DTOOZBWSYSEFBH-UHFFFAOYSA-N 2 1 387.499 3.609 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cn3c(cccc3C)n2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544543 1041757525 /nfs/dbraw/zinc/75/75/25/1041757525.db2.gz SQYVQPUBQPZYIK-XUTJKUGGSA-N 2 1 378.520 3.923 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236544559 1041757787 /nfs/dbraw/zinc/75/77/87/1041757787.db2.gz UDUSQUWGWPVQPB-MEMLXQNLSA-N 2 1 382.504 3.754 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(OC(F)F)nc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236546114 1041758331 /nfs/dbraw/zinc/75/83/31/1041758331.db2.gz XTPDTFNSYWNKEJ-IYARVYRRSA-N 2 1 391.462 3.964 20 0 GHADMP CCOc1ncc(Br)cc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236552001 1041759569 /nfs/dbraw/zinc/75/95/69/1041759569.db2.gz RBVVOEGHDPPGIW-QAQDUYKDSA-N 2 1 382.346 3.725 20 0 GHADMP CC(C)C[N@@H+](Cc1cn2cc(Br)ccc2n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553242 1041759881 /nfs/dbraw/zinc/75/98/81/1041759881.db2.gz YPUXEVDNSACSHI-JCNLHEQBSA-N 2 1 379.346 3.825 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572689 1041766777 /nfs/dbraw/zinc/76/67/77/1041766777.db2.gz QQXBBEOUQSQZBG-KOMQPUFPSA-N 2 1 391.357 3.960 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462563790 1070368889 /nfs/dbraw/zinc/36/88/89/1070368889.db2.gz IYRICBWXXINVAS-CEWLAPEOSA-N 2 1 385.552 3.954 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001462563790 1070368911 /nfs/dbraw/zinc/36/89/11/1070368911.db2.gz IYRICBWXXINVAS-CEWLAPEOSA-N 2 1 385.552 3.954 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c(OCc2ccccc2)cc1C ZINC001236622921 1041788886 /nfs/dbraw/zinc/78/88/86/1041788886.db2.gz QSQYJZOAQDTXPS-DEOSSOPVSA-N 2 1 393.575 3.880 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624316 1041789476 /nfs/dbraw/zinc/78/94/76/1041789476.db2.gz YDFXILHBQZLGOP-IBGZPJMESA-N 2 1 380.374 3.570 20 0 GHADMP CC(C)c1cc(Br)cc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c1 ZINC001236624316 1041789482 /nfs/dbraw/zinc/78/94/82/1041789482.db2.gz YDFXILHBQZLGOP-IBGZPJMESA-N 2 1 380.374 3.570 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462566838 1070372096 /nfs/dbraw/zinc/37/20/96/1070372096.db2.gz PUUJGNDNJSENDX-NMLBUPMWSA-N 2 1 381.486 3.656 20 0 GHADMP FC(F)(F)CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462566830 1070372464 /nfs/dbraw/zinc/37/24/64/1070372464.db2.gz PUUJGNDNJSENDX-MUGJNUQGSA-N 2 1 381.486 3.656 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc(OC)c1 ZINC001236695492 1041837000 /nfs/dbraw/zinc/83/70/00/1041837000.db2.gz XHJFCVFTCANTIJ-MEMLXQNLSA-N 2 1 382.504 3.754 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c1OC ZINC001236702025 1041842197 /nfs/dbraw/zinc/84/21/97/1041842197.db2.gz WRBSQRTZUKHNLQ-MXVIHJGJSA-N 2 1 382.504 3.754 20 0 GHADMP Cc1ccc(C[N@@H+](Cc2c(Br)cnn2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236714224 1041849896 /nfs/dbraw/zinc/84/98/96/1041849896.db2.gz KMMCFIQXBRCGON-QAQDUYKDSA-N 2 1 391.357 3.763 20 0 GHADMP Cc1ccc(C[N@H+](Cc2c(Br)cnn2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236714224 1041849900 /nfs/dbraw/zinc/84/99/00/1041849900.db2.gz KMMCFIQXBRCGON-QAQDUYKDSA-N 2 1 391.357 3.763 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cccc4ccoc43)O2)CC1 ZINC001236730872 1041862268 /nfs/dbraw/zinc/86/22/68/1041862268.db2.gz JEHSKMOQOQYSRJ-DNVJHFABSA-N 2 1 398.547 3.913 20 0 GHADMP c1cc2c(cccc2C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001236742608 1041869114 /nfs/dbraw/zinc/86/91/14/1041869114.db2.gz GEDDSUJQOYTXHA-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP c1cc2c(cccc2C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC001236742608 1041869118 /nfs/dbraw/zinc/86/91/18/1041869118.db2.gz GEDDSUJQOYTXHA-NFBKMPQASA-N 2 1 377.488 3.551 20 0 GHADMP Cc1cccc(C)c1-c1cccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001236816053 1041914158 /nfs/dbraw/zinc/91/41/58/1041914158.db2.gz WLDZJFPQKJJNRX-JOCHJYFZSA-N 2 1 379.548 3.613 20 0 GHADMP Cc1cccc(C)c1-c1cccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c1 ZINC001236816053 1041914162 /nfs/dbraw/zinc/91/41/62/1041914162.db2.gz WLDZJFPQKJJNRX-JOCHJYFZSA-N 2 1 379.548 3.613 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(Cc4ccc(Cl)nc4)c4ccccc34)C[C@@H]12 ZINC001236820927 1041916445 /nfs/dbraw/zinc/91/64/45/1041916445.db2.gz SHNDRCGQDOETTN-NSISKUIASA-N 2 1 380.923 3.907 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc5nccc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001237269197 1042114859 /nfs/dbraw/zinc/11/48/59/1042114859.db2.gz XEAGQOOXTSACBE-MOPGFXCFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5nccc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001237269197 1042114863 /nfs/dbraw/zinc/11/48/63/1042114863.db2.gz XEAGQOOXTSACBE-MOPGFXCFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5nccc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001237269197 1042114865 /nfs/dbraw/zinc/11/48/65/1042114865.db2.gz XEAGQOOXTSACBE-MOPGFXCFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5nccc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001237269197 1042114869 /nfs/dbraw/zinc/11/48/69/1042114869.db2.gz XEAGQOOXTSACBE-MOPGFXCFSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5nccc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001237269197 1042114872 /nfs/dbraw/zinc/11/48/72/1042114872.db2.gz XEAGQOOXTSACBE-MOPGFXCFSA-N 2 1 395.938 3.576 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(O)cc(F)c1)CC2 ZINC001237277740 1042119323 /nfs/dbraw/zinc/11/93/23/1042119323.db2.gz GKEFQAWAMDUQCC-SFHVURJKSA-N 2 1 390.524 3.848 20 0 GHADMP Fc1ccc(-c2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2)c(F)c1 ZINC001237666574 1042312081 /nfs/dbraw/zinc/31/20/81/1042312081.db2.gz DEBXUNDDKRGUPM-UHFFFAOYSA-N 2 1 385.502 3.845 20 0 GHADMP CCc1ncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)s1 ZINC001237826699 1042389046 /nfs/dbraw/zinc/38/90/46/1042389046.db2.gz TWFHSBYYYPHAMB-UHFFFAOYSA-N 2 1 385.577 3.881 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CC(CN(C)C(=O)OC(C)(C)C)C3)cc21 ZINC001237881211 1042407386 /nfs/dbraw/zinc/40/73/86/1042407386.db2.gz NYSIBIJOBAUUNP-UHFFFAOYSA-N 2 1 385.552 3.987 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2cccc4c[nH+]cn42)C3)c1 ZINC001238103785 1042492995 /nfs/dbraw/zinc/49/29/95/1042492995.db2.gz GYSQUDWFRBCREF-OFNKIYASSA-N 2 1 376.504 3.857 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cccc4c[nH+]cn42)C3)c1 ZINC001238103785 1042493000 /nfs/dbraw/zinc/49/30/00/1042493000.db2.gz GYSQUDWFRBCREF-OFNKIYASSA-N 2 1 376.504 3.857 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001291540783 1043332695 /nfs/dbraw/zinc/33/26/95/1043332695.db2.gz VVRHGZIOMFXKKA-VQTJNVASSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC001256482589 1043416577 /nfs/dbraw/zinc/41/65/77/1043416577.db2.gz DJHGNPNTHQFKMM-HKUYNNGSSA-N 2 1 388.556 3.736 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256484415 1043420231 /nfs/dbraw/zinc/42/02/31/1043420231.db2.gz DSEJDXJFRFHKMD-IEBWSBKVSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC001256529612 1043457712 /nfs/dbraw/zinc/45/77/12/1043457712.db2.gz CVNRQKACEUDNQP-OFNKIYASSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256529612 1043457724 /nfs/dbraw/zinc/45/77/24/1043457724.db2.gz CVNRQKACEUDNQP-OFNKIYASSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCN(c3ccc(F)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256535746 1043476557 /nfs/dbraw/zinc/47/65/57/1043476557.db2.gz COBMSUXTJHPEIP-KNQAVFIVSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCN(c3ccc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535746 1043476559 /nfs/dbraw/zinc/47/65/59/1043476559.db2.gz COBMSUXTJHPEIP-KNQAVFIVSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535746 1043476566 /nfs/dbraw/zinc/47/65/66/1043476566.db2.gz COBMSUXTJHPEIP-KNQAVFIVSA-N 2 1 382.527 3.786 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCCN(c3ccc(F)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256535746 1043476577 /nfs/dbraw/zinc/47/65/77/1043476577.db2.gz COBMSUXTJHPEIP-KNQAVFIVSA-N 2 1 382.527 3.786 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256544762 1043498249 /nfs/dbraw/zinc/49/82/49/1043498249.db2.gz OJRZKPNMCNXXLS-GNLZIIPMSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256544762 1043498253 /nfs/dbraw/zinc/49/82/53/1043498253.db2.gz OJRZKPNMCNXXLS-GNLZIIPMSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256544762 1043498265 /nfs/dbraw/zinc/49/82/65/1043498265.db2.gz OJRZKPNMCNXXLS-GNLZIIPMSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256544762 1043498272 /nfs/dbraw/zinc/49/82/72/1043498272.db2.gz OJRZKPNMCNXXLS-GNLZIIPMSA-N 2 1 386.580 3.947 20 0 GHADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C[NH+]1CCCCC1 ZINC001291849160 1043499803 /nfs/dbraw/zinc/49/98/03/1043499803.db2.gz CUEXBVGHBNEMFE-IFMALSPDSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256544767 1043500017 /nfs/dbraw/zinc/50/00/17/1043500017.db2.gz OKDUCYWJMYDXGM-YJMBLLCNSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256544767 1043500036 /nfs/dbraw/zinc/50/00/36/1043500036.db2.gz OKDUCYWJMYDXGM-YJMBLLCNSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256544767 1043500054 /nfs/dbraw/zinc/50/00/54/1043500054.db2.gz OKDUCYWJMYDXGM-YJMBLLCNSA-N 2 1 396.604 3.560 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256544767 1043500072 /nfs/dbraw/zinc/50/00/72/1043500072.db2.gz OKDUCYWJMYDXGM-YJMBLLCNSA-N 2 1 396.604 3.560 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256546032 1043505764 /nfs/dbraw/zinc/50/57/64/1043505764.db2.gz JLPQBQSHYHUQPY-UNMCSNQZSA-N 2 1 395.595 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256546032 1043505771 /nfs/dbraw/zinc/50/57/71/1043505771.db2.gz JLPQBQSHYHUQPY-UNMCSNQZSA-N 2 1 395.595 3.592 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256546032 1043505776 /nfs/dbraw/zinc/50/57/76/1043505776.db2.gz JLPQBQSHYHUQPY-UNMCSNQZSA-N 2 1 395.595 3.592 20 0 GHADMP C[C@H]1C[C@@H](N(c2ccncc2F)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552697 1043519127 /nfs/dbraw/zinc/51/91/27/1043519127.db2.gz CHCYZGWUWDOHTC-RXVVDRJESA-N 2 1 382.527 3.832 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256558072 1043530402 /nfs/dbraw/zinc/53/04/02/1043530402.db2.gz PXNMBMODQWKHJO-TZIWHRDSSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1ccnc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n1 ZINC001256558072 1043530414 /nfs/dbraw/zinc/53/04/14/1043530414.db2.gz PXNMBMODQWKHJO-TZIWHRDSSA-N 2 1 380.536 3.681 20 0 GHADMP CCOC(=O)C1=C(NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001256564424 1043538146 /nfs/dbraw/zinc/53/81/46/1043538146.db2.gz LYSCMQGQILFMBQ-UHFFFAOYSA-N 2 1 399.579 3.562 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN(C4CC[NH+](C(C)(C)C)CC4)CC3)C2)cc1 ZINC001256570435 1043543309 /nfs/dbraw/zinc/54/33/09/1043543309.db2.gz JVAZBSIPMWGEJI-UHFFFAOYSA-N 3 1 399.623 3.925 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C2)C1=O ZINC001256572051 1043544296 /nfs/dbraw/zinc/54/42/96/1043544296.db2.gz NUYAPSIJNARRMN-XMMPIXPASA-N 2 1 383.580 3.896 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587232 1043556013 /nfs/dbraw/zinc/55/60/13/1043556013.db2.gz CDQJAEDWORPIJX-YKSBVNFPSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC001256587232 1043556024 /nfs/dbraw/zinc/55/60/24/1043556024.db2.gz CDQJAEDWORPIJX-YKSBVNFPSA-N 2 1 378.564 3.546 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256597198 1043562291 /nfs/dbraw/zinc/56/22/91/1043562291.db2.gz QGRYBXVPNMNKMA-RLAPIPATSA-N 2 1 399.579 3.886 20 0 GHADMP c1ccc(C[NH+]2CCC([NH2+]CC3CC[NH+](Cc4cccnc4)CC3)CC2)cc1 ZINC001256600622 1043564287 /nfs/dbraw/zinc/56/42/87/1043564287.db2.gz IBBWCGJWQRPDLQ-UHFFFAOYSA-N 3 1 378.564 3.548 20 0 GHADMP CC[C@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001256601692 1043565614 /nfs/dbraw/zinc/56/56/14/1043565614.db2.gz YDGLEQLBDYRUKB-LJQANCHMSA-N 2 1 375.557 3.934 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256601848 1043565730 /nfs/dbraw/zinc/56/57/30/1043565730.db2.gz HTKJZXQKDBVNRE-YHBQERECSA-N 2 1 378.564 3.818 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808118 1043664257 /nfs/dbraw/zinc/66/42/57/1043664257.db2.gz DSMDISNRPOJEQJ-UARRHKHWSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808118 1043664262 /nfs/dbraw/zinc/66/42/62/1043664262.db2.gz DSMDISNRPOJEQJ-UARRHKHWSA-N 2 1 384.564 3.587 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCO[C@H](c3ccccc3)C1)C2 ZINC001256808118 1043664268 /nfs/dbraw/zinc/66/42/68/1043664268.db2.gz DSMDISNRPOJEQJ-UARRHKHWSA-N 2 1 384.564 3.587 20 0 GHADMP Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861723 1043707687 /nfs/dbraw/zinc/70/76/87/1043707687.db2.gz BBLSBXMUTAXEMD-KOUNCHBCSA-N 2 1 394.567 3.942 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256864958 1043709799 /nfs/dbraw/zinc/70/97/99/1043709799.db2.gz OEGAVQVMGCMXBH-FGZHOGPDSA-N 3 1 376.548 3.504 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256864958 1043709808 /nfs/dbraw/zinc/70/98/08/1043709808.db2.gz OEGAVQVMGCMXBH-FGZHOGPDSA-N 3 1 376.548 3.504 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@@H]3C2)cc1 ZINC001256864958 1043709820 /nfs/dbraw/zinc/70/98/20/1043709820.db2.gz OEGAVQVMGCMXBH-FGZHOGPDSA-N 3 1 376.548 3.504 20 0 GHADMP FC(F)(F)c1ccc(OC2C[NH+](C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC001256865387 1043711215 /nfs/dbraw/zinc/71/12/15/1043711215.db2.gz CBCBADGTDISSNO-UHFFFAOYSA-N 2 1 377.410 3.832 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256894230 1043726651 /nfs/dbraw/zinc/72/66/51/1043726651.db2.gz FXRMPRGDNCZDSF-MJGOQNOKSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256894230 1043726654 /nfs/dbraw/zinc/72/66/54/1043726654.db2.gz FXRMPRGDNCZDSF-MJGOQNOKSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256909138 1043734519 /nfs/dbraw/zinc/73/45/19/1043734519.db2.gz SBFDAZPPVGHNHY-HQPYMTOTSA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256909138 1043734524 /nfs/dbraw/zinc/73/45/24/1043734524.db2.gz SBFDAZPPVGHNHY-HQPYMTOTSA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC1 ZINC001257214909 1043938675 /nfs/dbraw/zinc/93/86/75/1043938675.db2.gz ODGZPZJYHQPGHG-XLIONFOSSA-N 2 1 382.527 3.671 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC1 ZINC001257214909 1043938682 /nfs/dbraw/zinc/93/86/82/1043938682.db2.gz ODGZPZJYHQPGHG-XLIONFOSSA-N 2 1 382.527 3.671 20 0 GHADMP CC(C)C[NH+]1CCC([NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)CC1 ZINC001258011432 1044336055 /nfs/dbraw/zinc/33/60/55/1044336055.db2.gz NFWMMXCRINVWSQ-QFIPXVFZSA-N 2 1 385.552 3.765 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC001258137089 1044421805 /nfs/dbraw/zinc/42/18/05/1044421805.db2.gz FLUABOISPAEGFZ-UHFFFAOYSA-N 3 1 392.591 3.590 20 0 GHADMP O=C(NC1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1)C1CCCCC1 ZINC001258149572 1044438656 /nfs/dbraw/zinc/43/86/56/1044438656.db2.gz MURMXQBJGDEESZ-UHFFFAOYSA-N 2 1 397.607 3.854 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)C[C@@H](C)C1 ZINC001258166582 1044448288 /nfs/dbraw/zinc/44/82/88/1044448288.db2.gz WWDJZKFWWWXDAQ-PBWWEPDBSA-N 2 1 378.601 3.791 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)Cc1ccco1)CC2 ZINC001258188231 1044460766 /nfs/dbraw/zinc/46/07/66/1044460766.db2.gz ISQNRPWLWJLTMZ-QZTJIDSGSA-N 2 1 389.565 3.670 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@H](C)CCSC)CC2 ZINC001258218075 1044476212 /nfs/dbraw/zinc/47/62/12/1044476212.db2.gz URYXMEJBEZXLMX-UYAOXDASSA-N 2 1 377.598 3.526 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401552 1044540166 /nfs/dbraw/zinc/54/01/66/1044540166.db2.gz NESAXUBNTQICRO-BPUDTRNYSA-N 2 1 386.580 3.697 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401552 1044540183 /nfs/dbraw/zinc/54/01/83/1044540183.db2.gz NESAXUBNTQICRO-BPUDTRNYSA-N 2 1 386.580 3.697 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)CCc1ccc(OC)cc1)C2 ZINC001258401552 1044540201 /nfs/dbraw/zinc/54/02/01/1044540201.db2.gz NESAXUBNTQICRO-BPUDTRNYSA-N 2 1 386.580 3.697 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccnc2)C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258417953 1044550502 /nfs/dbraw/zinc/55/05/02/1044550502.db2.gz YAHKEWRMFOMGNC-MEMLXQNLSA-N 2 1 382.527 3.962 20 0 GHADMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258524883 1044603268 /nfs/dbraw/zinc/60/32/68/1044603268.db2.gz ZFQWNXSPDMQXDE-IBGZPJMESA-N 2 1 394.600 3.710 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC1(C)C ZINC001258552245 1044630011 /nfs/dbraw/zinc/63/00/11/1044630011.db2.gz BTNAXAIKGJMHOJ-SFHVURJKSA-N 2 1 388.556 3.510 20 0 GHADMP O=C1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC001258568098 1044646771 /nfs/dbraw/zinc/64/67/71/1044646771.db2.gz IYMSFTWJSDGITE-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258646076 1044687024 /nfs/dbraw/zinc/68/70/24/1044687024.db2.gz JEJVGBQQSKSNGM-JOCHJYFZSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258646076 1044687029 /nfs/dbraw/zinc/68/70/29/1044687029.db2.gz JEJVGBQQSKSNGM-JOCHJYFZSA-N 2 1 391.559 3.745 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258646076 1044687039 /nfs/dbraw/zinc/68/70/39/1044687039.db2.gz JEJVGBQQSKSNGM-JOCHJYFZSA-N 2 1 391.559 3.745 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001258903405 1044857971 /nfs/dbraw/zinc/85/79/71/1044857971.db2.gz RNXYDJHHYVYRPO-HXUWFJFHSA-N 3 1 375.601 3.802 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC001261220824 1045927694 /nfs/dbraw/zinc/92/76/94/1045927694.db2.gz AKAXHIYTEBQAES-SNWXZZBVSA-N 2 1 398.595 3.746 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000390775290 1047512704 /nfs/dbraw/zinc/51/27/04/1047512704.db2.gz OBVRKWXJZCKVKJ-BAGYTPMASA-N 2 1 399.579 3.886 20 0 GHADMP COc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001279197661 1047740389 /nfs/dbraw/zinc/74/03/89/1047740389.db2.gz BNCKUNWEQAORKV-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP CC(C)Oc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279312638 1047763552 /nfs/dbraw/zinc/76/35/52/1047763552.db2.gz JLGHPCLEFWEHNY-UHFFFAOYSA-N 2 1 379.976 3.587 20 0 GHADMP Cc1cc(Br)ccc1C[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001279322821 1047767691 /nfs/dbraw/zinc/76/76/91/1047767691.db2.gz ROCAPFONMCJAHP-UHFFFAOYSA-N 2 1 394.401 3.607 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)c(Cl)c1 ZINC001279322657 1047767839 /nfs/dbraw/zinc/76/78/39/1047767839.db2.gz PAKAVGWYOYFAQB-OAQYLSRUSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1Br ZINC001279362764 1047780597 /nfs/dbraw/zinc/78/05/97/1047780597.db2.gz MKBAKUPLBVZMQM-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP Brc1cnccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279405733 1047796010 /nfs/dbraw/zinc/79/60/10/1047796010.db2.gz OPIBBUPYWOFJEH-UHFFFAOYSA-N 2 1 389.341 3.660 20 0 GHADMP CN(C)c1ccc(Br)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001279655190 1047895510 /nfs/dbraw/zinc/89/55/10/1047895510.db2.gz LTHRENBXCFMEIG-UHFFFAOYSA-N 2 1 380.374 3.823 20 0 GHADMP CC1(C)OC[C@@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)O1 ZINC001280227281 1048137152 /nfs/dbraw/zinc/13/71/52/1048137152.db2.gz MGHIWMBZIRVAOH-SJLPKXTDSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@@H](C[N@H+]2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)O1 ZINC001280227281 1048137158 /nfs/dbraw/zinc/13/71/58/1048137158.db2.gz MGHIWMBZIRVAOH-SJLPKXTDSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@@H](C[NH+]2CCC[C@@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)O1 ZINC001280227281 1048137166 /nfs/dbraw/zinc/13/71/66/1048137166.db2.gz MGHIWMBZIRVAOH-SJLPKXTDSA-N 2 1 378.479 3.658 20 0 GHADMP CC1(C)OC[C@@H](C[NH+]2CCC[C@@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)O1 ZINC001280227281 1048137175 /nfs/dbraw/zinc/13/71/75/1048137175.db2.gz MGHIWMBZIRVAOH-SJLPKXTDSA-N 2 1 378.479 3.658 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001306237424 1048521687 /nfs/dbraw/zinc/52/16/87/1048521687.db2.gz UOJITFRLERQKKG-RJGXRXQPSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001306237424 1048521692 /nfs/dbraw/zinc/52/16/92/1048521692.db2.gz UOJITFRLERQKKG-RJGXRXQPSA-N 2 1 383.580 3.525 20 0 GHADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001306237424 1048521702 /nfs/dbraw/zinc/52/17/02/1048521702.db2.gz UOJITFRLERQKKG-RJGXRXQPSA-N 2 1 383.580 3.525 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001307420149 1049258672 /nfs/dbraw/zinc/25/86/72/1049258672.db2.gz HEDKYLCMFWAFSY-HSZRJFAPSA-N 2 1 380.532 3.735 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001307420149 1049258685 /nfs/dbraw/zinc/25/86/85/1049258685.db2.gz HEDKYLCMFWAFSY-HSZRJFAPSA-N 2 1 380.532 3.735 20 0 GHADMP COc1ccc(C[N@H+](CCO)Cc2cccc(C[NH+]3CCCCC3)c2)c(OC)c1 ZINC001307457413 1049294974 /nfs/dbraw/zinc/29/49/74/1049294974.db2.gz HGMHCKOQZOUSLT-UHFFFAOYSA-N 2 1 398.547 3.684 20 0 GHADMP COc1ccc(C[N@@H+](CCO)Cc2cccc(C[NH+]3CCCCC3)c2)c(OC)c1 ZINC001307457413 1049294987 /nfs/dbraw/zinc/29/49/87/1049294987.db2.gz HGMHCKOQZOUSLT-UHFFFAOYSA-N 2 1 398.547 3.684 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1)c1ccccc1 ZINC001307518532 1049363045 /nfs/dbraw/zinc/36/30/45/1049363045.db2.gz SAFURYOWXODKPZ-ILBGXUMGSA-N 2 1 393.575 3.750 20 0 GHADMP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C2CC2)cc1 ZINC001307642286 1049469879 /nfs/dbraw/zinc/46/98/79/1049469879.db2.gz DHLUADLMZJRGER-XMMPIXPASA-N 2 1 379.548 3.756 20 0 GHADMP Cc1ccc([C@@H](NC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C2CC2)cc1 ZINC001307642286 1049469884 /nfs/dbraw/zinc/46/98/84/1049469884.db2.gz DHLUADLMZJRGER-XMMPIXPASA-N 2 1 379.548 3.756 20 0 GHADMP CON(C)C(=O)CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001307825896 1049619693 /nfs/dbraw/zinc/61/96/93/1049619693.db2.gz RMXXJAJXJBXLPQ-JOCHJYFZSA-N 2 1 387.568 3.553 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C)c1ccccc1 ZINC001307855317 1049637082 /nfs/dbraw/zinc/63/70/82/1049637082.db2.gz RLSZDIPEAQHGIH-YADHBBJMSA-N 2 1 379.548 3.674 20 0 GHADMP O=C(N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC001307927623 1049700902 /nfs/dbraw/zinc/70/09/02/1049700902.db2.gz CTXQLWYXXJJHSF-UHFFFAOYSA-N 2 1 398.595 3.512 20 0 GHADMP C[C@H]1C[N@@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC001308041083 1049791878 /nfs/dbraw/zinc/79/18/78/1049791878.db2.gz SKLCLWSGKBWZGD-RIFZZMRRSA-N 2 1 391.437 3.774 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001290499426 1049859409 /nfs/dbraw/zinc/85/94/09/1049859409.db2.gz YBMJIKWILXGEOD-XPWALMASSA-N 2 1 379.548 3.531 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC001308202627 1049911315 /nfs/dbraw/zinc/91/13/15/1049911315.db2.gz IAOMSLDPWZLUAQ-OAHLLOKOSA-N 2 1 379.346 3.699 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC001308338638 1049953033 /nfs/dbraw/zinc/95/30/33/1049953033.db2.gz BJWMJXFXAHLZCW-MRXNPFEDSA-N 2 1 386.321 3.749 20 0 GHADMP Cc1cc(C)c(/C=C/C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001308586733 1050020853 /nfs/dbraw/zinc/02/08/53/1050020853.db2.gz NGWPAGWLXZTJQG-AATRIKPKSA-N 2 1 383.580 3.501 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001308730347 1050074355 /nfs/dbraw/zinc/07/43/55/1050074355.db2.gz RWSAEUXCHGCJKV-IBGZPJMESA-N 2 1 375.557 3.649 20 0 GHADMP Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001308746897 1050079713 /nfs/dbraw/zinc/07/97/13/1050079713.db2.gz JUFNDPJTSKPFCD-INIZCTEOSA-N 2 1 392.450 3.747 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC(N3CCOC3=O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001308876772 1050134643 /nfs/dbraw/zinc/13/46/43/1050134643.db2.gz GYBGIGMQTFVCGY-XMMPIXPASA-N 2 1 399.579 3.841 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]C3CC(c4cc(F)cc(F)c4)C3)c2)CC1 ZINC001327368993 1050169312 /nfs/dbraw/zinc/16/93/12/1050169312.db2.gz PRTQWALATPBMQC-UHFFFAOYSA-N 2 1 385.502 3.748 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC001328411815 1050500814 /nfs/dbraw/zinc/50/08/14/1050500814.db2.gz ATMFDUMAWBDDEX-CHWSQXEVSA-N 2 1 376.394 3.711 20 0 GHADMP CN(Cc1ccc(OC(F)F)cc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001329817025 1050908991 /nfs/dbraw/zinc/90/89/91/1050908991.db2.gz BXHNJJFLNAAIRA-PBWFPOADSA-N 2 1 376.394 3.946 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCc3ccccc3)C(C)C)CC2)CC1 ZINC001329883655 1050917156 /nfs/dbraw/zinc/91/71/56/1050917156.db2.gz GIZUHPIFLSIKLL-UHFFFAOYSA-N 2 1 385.596 3.662 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1F ZINC001331003076 1051167301 /nfs/dbraw/zinc/16/73/01/1051167301.db2.gz OAWGOUPDHPLJGN-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1F ZINC001331003076 1051167309 /nfs/dbraw/zinc/16/73/09/1051167309.db2.gz OAWGOUPDHPLJGN-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP COc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1F ZINC001331003076 1051167314 /nfs/dbraw/zinc/16/73/14/1051167314.db2.gz OAWGOUPDHPLJGN-FQEVSTJZSA-N 2 1 387.499 3.723 20 0 GHADMP CCn1c(=S)n(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nc1-c1ccccc1 ZINC001334723883 1051968614 /nfs/dbraw/zinc/96/86/14/1051968614.db2.gz JEWYAITZWKGSER-GBESFXJTSA-N 2 1 385.581 3.721 20 0 GHADMP CCn1c(=S)n(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)nc1-c1ccccc1 ZINC001334723883 1051968618 /nfs/dbraw/zinc/96/86/18/1051968618.db2.gz JEWYAITZWKGSER-GBESFXJTSA-N 2 1 385.581 3.721 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001311360608 1052057029 /nfs/dbraw/zinc/05/70/29/1052057029.db2.gz UIEORWPLFMNYDA-HSALFYBXSA-N 2 1 388.600 3.692 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001311360608 1052057045 /nfs/dbraw/zinc/05/70/45/1052057045.db2.gz UIEORWPLFMNYDA-HSALFYBXSA-N 2 1 388.600 3.692 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001311360608 1052057053 /nfs/dbraw/zinc/05/70/53/1052057053.db2.gz UIEORWPLFMNYDA-HSALFYBXSA-N 2 1 388.600 3.692 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001311396377 1052089870 /nfs/dbraw/zinc/08/98/70/1052089870.db2.gz NMXGZKTUYZWNGN-KNQAVFIVSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001335747223 1052162157 /nfs/dbraw/zinc/16/21/57/1052162157.db2.gz OGEILUSQVWAFCV-CTNGQTDRSA-N 2 1 395.478 3.809 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001335747223 1052162161 /nfs/dbraw/zinc/16/21/61/1052162161.db2.gz OGEILUSQVWAFCV-CTNGQTDRSA-N 2 1 395.478 3.809 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCC[NH+]1CCCCC1 ZINC001311551131 1052239151 /nfs/dbraw/zinc/23/91/51/1052239151.db2.gz OBICSKQUMUKPMY-PWRODBHTSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001311715308 1052351783 /nfs/dbraw/zinc/35/17/83/1052351783.db2.gz VLXVMAWVFBUOLN-IFMALSPDSA-N 2 1 386.584 3.729 20 0 GHADMP CC(C)[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC001311948240 1052492969 /nfs/dbraw/zinc/49/29/69/1052492969.db2.gz XJLDKUOEKSCDNI-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001311955696 1052500791 /nfs/dbraw/zinc/50/07/91/1052500791.db2.gz YISNHYYTPPGLCF-UYAOXDASSA-N 2 1 376.589 3.563 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](CC)C[C@@H]2CC)c1 ZINC001312290058 1052680869 /nfs/dbraw/zinc/68/08/69/1052680869.db2.gz LKVBSRNKKWBTCX-QFIPXVFZSA-N 2 1 388.600 3.934 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](CC)C[C@@H]2CC)c1 ZINC001312290058 1052680873 /nfs/dbraw/zinc/68/08/73/1052680873.db2.gz LKVBSRNKKWBTCX-QFIPXVFZSA-N 2 1 388.600 3.934 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC001312647160 1052824359 /nfs/dbraw/zinc/82/43/59/1052824359.db2.gz SZCCGFJKQNQAKS-DHIUTWEWSA-N 2 1 398.595 3.735 20 0 GHADMP CC[N@@H+](CCCNC(=O)N1CCC(CCC[NH+](C)C)CC1)C1CCCCC1 ZINC001312963665 1052921234 /nfs/dbraw/zinc/92/12/34/1052921234.db2.gz JCZGUNOYMTXCIW-UHFFFAOYSA-N 2 1 380.621 3.795 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H](C)C1 ZINC001319211336 1055097825 /nfs/dbraw/zinc/09/78/25/1055097825.db2.gz MBTPBFPARJJEFL-AVRDEDQJSA-N 2 1 377.548 3.521 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001319562522 1055324044 /nfs/dbraw/zinc/32/40/44/1055324044.db2.gz GLOLTSONLVYOBJ-XMMPIXPASA-N 2 1 391.559 3.804 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319657854 1055382929 /nfs/dbraw/zinc/38/29/29/1055382929.db2.gz ZECVXQMUTXQSKJ-ZWKOTPCHSA-N 2 1 382.552 3.999 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001319657854 1055382939 /nfs/dbraw/zinc/38/29/39/1055382939.db2.gz ZECVXQMUTXQSKJ-ZWKOTPCHSA-N 2 1 382.552 3.999 20 0 GHADMP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001320800288 1055967569 /nfs/dbraw/zinc/96/75/69/1055967569.db2.gz LYCGNDHYTPPPPA-RXVVDRJESA-N 2 1 389.503 3.565 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)c2)CC1 ZINC001321370063 1056237505 /nfs/dbraw/zinc/23/75/05/1056237505.db2.gz JRVKMVWIQOIRFZ-ISKFKSNPSA-N 2 1 378.564 3.645 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC001354115569 1056349077 /nfs/dbraw/zinc/34/90/77/1056349077.db2.gz BNABJCBWJAEYQF-ZNEWLNCYSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001354115569 1056349096 /nfs/dbraw/zinc/34/90/96/1056349096.db2.gz BNABJCBWJAEYQF-ZNEWLNCYSA-N 2 1 397.607 3.866 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC001354115569 1056349112 /nfs/dbraw/zinc/34/91/12/1056349112.db2.gz BNABJCBWJAEYQF-ZNEWLNCYSA-N 2 1 397.607 3.866 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001300624413 1056706097 /nfs/dbraw/zinc/70/60/97/1056706097.db2.gz NFZWFWCRAVLRBP-HDICACEKSA-N 2 1 379.976 3.883 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001200714527 1056797437 /nfs/dbraw/zinc/79/74/37/1056797437.db2.gz KOMGZCVKPPDTLX-VFNWGFHPSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001200714527 1056797449 /nfs/dbraw/zinc/79/74/49/1056797449.db2.gz KOMGZCVKPPDTLX-VFNWGFHPSA-N 2 1 390.549 3.947 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001354676115 1056882887 /nfs/dbraw/zinc/88/28/87/1056882887.db2.gz QFFZBZIQHGXROW-SSGKUCQKSA-N 2 1 385.596 3.770 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3nc4ccccc4n3C(C)C)CC2)nc(C)[nH+]1 ZINC001200821017 1056989452 /nfs/dbraw/zinc/98/94/52/1056989452.db2.gz LPTLKLZYNRRSBN-UHFFFAOYSA-N 2 1 378.524 3.783 20 0 GHADMP C[C@@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C ZINC001326021459 1057396985 /nfs/dbraw/zinc/39/69/85/1057396985.db2.gz JDJHIMQVNVKVKR-IBGZPJMESA-N 2 1 389.584 3.929 20 0 GHADMP COC(=O)c1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c(C)o1 ZINC000848890661 1057399610 /nfs/dbraw/zinc/39/96/10/1057399610.db2.gz JRKCTIMTJVTBDH-UHFFFAOYSA-N 2 1 385.508 3.765 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001356138645 1057405317 /nfs/dbraw/zinc/40/53/17/1057405317.db2.gz LISAETUHKRNXLQ-JOCHJYFZSA-N 2 1 377.532 3.786 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001326075684 1057409151 /nfs/dbraw/zinc/40/91/51/1057409151.db2.gz SCVUJORLTVBHBI-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001326075684 1057409155 /nfs/dbraw/zinc/40/91/55/1057409155.db2.gz SCVUJORLTVBHBI-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP CCC[NH+]1CC[C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001326075684 1057409157 /nfs/dbraw/zinc/40/91/57/1057409157.db2.gz SCVUJORLTVBHBI-GTCWDNOESA-N 2 1 398.595 3.603 20 0 GHADMP Cc1c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)ccc2c[nH+]cn21 ZINC001326144468 1057422089 /nfs/dbraw/zinc/42/20/89/1057422089.db2.gz GMKFVNQXVMYPCV-UHFFFAOYSA-N 2 1 387.281 3.719 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000849063561 1057573936 /nfs/dbraw/zinc/57/39/36/1057573936.db2.gz JPRRBMZOVPVPBG-FQEVSTJZSA-N 2 1 396.535 3.545 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCSCC1)c1ccc(C(F)(F)F)cc1 ZINC000849063479 1057574214 /nfs/dbraw/zinc/57/42/14/1057574214.db2.gz GVBPBPCVKVMBNW-MRXNPFEDSA-N 2 1 388.503 3.661 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000849065828 1057575773 /nfs/dbraw/zinc/57/57/73/1057575773.db2.gz ANAYTQRPUDEWSG-INIZCTEOSA-N 2 1 376.545 3.931 20 0 GHADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)cc1C(F)(F)F ZINC000849073852 1057582103 /nfs/dbraw/zinc/58/21/03/1057582103.db2.gz JCCJBVSLFOGOOR-HNNXBMFYSA-N 2 1 386.462 3.591 20 0 GHADMP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cccc(OC(F)(F)F)c1)Cc1ccccc1 ZINC000849083746 1057585651 /nfs/dbraw/zinc/58/56/51/1057585651.db2.gz HDSKAHDWELLERN-INIZCTEOSA-N 2 1 380.414 3.694 20 0 GHADMP Cc1c(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cnn1-c1cc[nH+]cc1 ZINC001337885143 1058312269 /nfs/dbraw/zinc/31/22/69/1058312269.db2.gz YRGYSCVBTFMMLF-UHFFFAOYSA-N 2 1 386.459 3.889 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001441221447 1058728098 /nfs/dbraw/zinc/72/80/98/1058728098.db2.gz CZMDEAYCDGHJLM-GOTSBHOMSA-N 2 1 379.548 3.850 20 0 GHADMP CC[C@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC001441237768 1058731189 /nfs/dbraw/zinc/73/11/89/1058731189.db2.gz HUSLDNIHUGDSME-JOCHJYFZSA-N 2 1 390.531 3.858 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)cc3)c2)CCO1 ZINC001339598957 1059334564 /nfs/dbraw/zinc/33/45/64/1059334564.db2.gz FXJUXRXUBNMNJK-IBGZPJMESA-N 2 1 390.531 3.598 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)cc3)c2)CCO1 ZINC001339598957 1059334587 /nfs/dbraw/zinc/33/45/87/1059334587.db2.gz FXJUXRXUBNMNJK-IBGZPJMESA-N 2 1 390.531 3.598 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001447506768 1059973755 /nfs/dbraw/zinc/97/37/55/1059973755.db2.gz AJANZPSCPPMLEM-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001447506768 1059973757 /nfs/dbraw/zinc/97/37/57/1059973757.db2.gz AJANZPSCPPMLEM-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001447506768 1059973759 /nfs/dbraw/zinc/97/37/59/1059973759.db2.gz AJANZPSCPPMLEM-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP CC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC001447506768 1059973762 /nfs/dbraw/zinc/97/37/62/1059973762.db2.gz AJANZPSCPPMLEM-BJKOFHAPSA-N 2 1 391.559 3.774 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001479081334 1060934034 /nfs/dbraw/zinc/93/40/34/1060934034.db2.gz BZLLZCRFCMKAGW-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001479081334 1060934036 /nfs/dbraw/zinc/93/40/36/1060934036.db2.gz BZLLZCRFCMKAGW-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001479081334 1060934038 /nfs/dbraw/zinc/93/40/38/1060934038.db2.gz BZLLZCRFCMKAGW-DHIUTWEWSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)C1CC[NH2+]CC1 ZINC001346105333 1061364902 /nfs/dbraw/zinc/36/49/02/1061364902.db2.gz YHRYEJIAFAWKPJ-MRXNPFEDSA-N 2 1 383.540 3.513 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c3cccc(C(F)(F)F)c3)C[N@H+]2C1 ZINC001454540241 1061824861 /nfs/dbraw/zinc/82/48/61/1061824861.db2.gz RDRAVBPQYRKPPJ-JZGRTCEGSA-N 2 1 397.485 3.545 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC)C1)c1cccc(C(F)(F)F)c1 ZINC001457417477 1063162238 /nfs/dbraw/zinc/16/22/38/1063162238.db2.gz UXBSYCCEIWITRL-ROUUACIJSA-N 2 1 385.474 3.641 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC001457672351 1063304611 /nfs/dbraw/zinc/30/46/11/1063304611.db2.gz VDYMIZJDHNHYDV-XWGVYQGASA-N 2 1 391.559 3.660 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001457672351 1063304643 /nfs/dbraw/zinc/30/46/43/1063304643.db2.gz VDYMIZJDHNHYDV-XWGVYQGASA-N 2 1 391.559 3.660 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001457672351 1063304663 /nfs/dbraw/zinc/30/46/63/1063304663.db2.gz VDYMIZJDHNHYDV-XWGVYQGASA-N 2 1 391.559 3.660 20 0 GHADMP Cc1ccccc1-c1nsc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001458135309 1063591597 /nfs/dbraw/zinc/59/15/97/1063591597.db2.gz HIBXTHNGVVDMJB-UHFFFAOYSA-N 2 1 394.548 3.533 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc(Cl)cc1Cl ZINC001349390720 1063693823 /nfs/dbraw/zinc/69/38/23/1063693823.db2.gz ZJZSXAQMUSGFSB-CQSZACIVSA-N 2 1 384.351 3.636 20 0 GHADMP CCCOc1cccc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC001459442227 1064099696 /nfs/dbraw/zinc/09/96/96/1064099696.db2.gz BHZIBUBLLNRPEV-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP CCCOc1cccc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001459442227 1064099704 /nfs/dbraw/zinc/09/97/04/1064099704.db2.gz BHZIBUBLLNRPEV-UHFFFAOYSA-N 2 1 381.564 3.725 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC001459953166 1064300639 /nfs/dbraw/zinc/30/06/39/1064300639.db2.gz BKVYGUBTWGGDRN-UHFFFAOYSA-N 2 1 385.596 3.787 20 0 GHADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460001584 1064335037 /nfs/dbraw/zinc/33/50/37/1064335037.db2.gz XWVVUSGYEMEUMV-PWIZWCRZSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460001584 1064335060 /nfs/dbraw/zinc/33/50/60/1064335060.db2.gz XWVVUSGYEMEUMV-PWIZWCRZSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[NH+]3C[C@H](C)C[C@H](C)C3)C[N@H+]2C1 ZINC001464204170 1064906305 /nfs/dbraw/zinc/90/63/05/1064906305.db2.gz QCDXYAVQTNXZDQ-ICWLXMKVSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@H+]3C[C@H](C)C[C@H](C)C3)C[NH+]2C1 ZINC001464204170 1064906311 /nfs/dbraw/zinc/90/63/11/1064906311.db2.gz QCDXYAVQTNXZDQ-ICWLXMKVSA-N 2 1 397.607 3.901 20 0 GHADMP C[C@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccccc3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C[NH+]2C1 ZINC001464204170 1064906317 /nfs/dbraw/zinc/90/63/17/1064906317.db2.gz QCDXYAVQTNXZDQ-ICWLXMKVSA-N 2 1 397.607 3.901 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001464693838 1065160020 /nfs/dbraw/zinc/16/00/20/1065160020.db2.gz JNBPSPIZUJQMGT-VQIMIIECSA-N 2 1 399.501 3.841 20 0 GHADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001464811745 1065225144 /nfs/dbraw/zinc/22/51/44/1065225144.db2.gz DLLBSPXPBWRWMC-JOCHJYFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001464811745 1065225156 /nfs/dbraw/zinc/22/51/56/1065225156.db2.gz DLLBSPXPBWRWMC-JOCHJYFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001464811745 1065225170 /nfs/dbraw/zinc/22/51/70/1065225170.db2.gz DLLBSPXPBWRWMC-JOCHJYFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001464811745 1065225183 /nfs/dbraw/zinc/22/51/83/1065225183.db2.gz DLLBSPXPBWRWMC-JOCHJYFZSA-N 2 1 389.559 3.903 20 0 GHADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001465089082 1065384435 /nfs/dbraw/zinc/38/44/35/1065384435.db2.gz UDJKJQCOTWROTQ-IBGZPJMESA-N 2 1 393.641 3.509 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC001466061591 1065970396 /nfs/dbraw/zinc/97/03/96/1065970396.db2.gz VFGPQBGHCMBOQO-RBZQAINGSA-N 2 1 399.623 3.875 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001466061591 1065970400 /nfs/dbraw/zinc/97/04/00/1065970400.db2.gz VFGPQBGHCMBOQO-RBZQAINGSA-N 2 1 399.623 3.875 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001466061591 1065970405 /nfs/dbraw/zinc/97/04/05/1065970405.db2.gz VFGPQBGHCMBOQO-RBZQAINGSA-N 2 1 399.623 3.875 20 0 GHADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Oc1cccnc1 ZINC001200377073 1066027796 /nfs/dbraw/zinc/02/77/96/1066027796.db2.gz HYRPYTQOJVQWOF-QFIPXVFZSA-N 2 1 381.520 3.915 20 0 GHADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001200450971 1066265318 /nfs/dbraw/zinc/26/53/18/1066265318.db2.gz VFJCFTPIXVCWCX-UHFFFAOYSA-N 2 1 390.959 3.961 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001466929082 1066396349 /nfs/dbraw/zinc/39/63/49/1066396349.db2.gz ABUIGECVNLHISL-LJQANCHMSA-N 2 1 390.597 3.870 20 0 GHADMP CC[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001467674796 1067411906 /nfs/dbraw/zinc/41/19/06/1067411906.db2.gz BBWRIZQGHPNTLT-FYYLOGMGSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@H](CNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001467674796 1067411913 /nfs/dbraw/zinc/41/19/13/1067411913.db2.gz BBWRIZQGHPNTLT-FYYLOGMGSA-N 2 1 398.595 3.530 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC001467861584 1067502982 /nfs/dbraw/zinc/50/29/82/1067502982.db2.gz MVPDEEIUYYTWIH-VQTJNVASSA-N 2 1 388.600 3.981 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001467861584 1067502997 /nfs/dbraw/zinc/50/29/97/1067502997.db2.gz MVPDEEIUYYTWIH-VQTJNVASSA-N 2 1 388.600 3.981 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001467861584 1067503006 /nfs/dbraw/zinc/50/30/06/1067503006.db2.gz MVPDEEIUYYTWIH-VQTJNVASSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC001467866843 1067507132 /nfs/dbraw/zinc/50/71/32/1067507132.db2.gz ZCIWGVBHPQZPOC-QFIPXVFZSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC001467866843 1067507141 /nfs/dbraw/zinc/50/71/41/1067507141.db2.gz ZCIWGVBHPQZPOC-QFIPXVFZSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001467866843 1067507152 /nfs/dbraw/zinc/50/71/52/1067507152.db2.gz ZCIWGVBHPQZPOC-QFIPXVFZSA-N 2 1 386.584 3.733 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC001468022520 1067569793 /nfs/dbraw/zinc/56/97/93/1067569793.db2.gz NCICFXBVKISDSG-FGZHOGPDSA-N 2 1 380.536 3.555 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC001468022520 1067569801 /nfs/dbraw/zinc/56/98/01/1067569801.db2.gz NCICFXBVKISDSG-FGZHOGPDSA-N 2 1 380.536 3.555 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001468115423 1067600658 /nfs/dbraw/zinc/60/06/58/1067600658.db2.gz VVEDDPCGLOFFRX-IFMALSPDSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001468115423 1067600661 /nfs/dbraw/zinc/60/06/61/1067600661.db2.gz VVEDDPCGLOFFRX-IFMALSPDSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001468115423 1067600665 /nfs/dbraw/zinc/60/06/65/1067600665.db2.gz VVEDDPCGLOFFRX-IFMALSPDSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC001468265855 1067659169 /nfs/dbraw/zinc/65/91/69/1067659169.db2.gz HIEGPIOYACBQFV-JTJHWIPRSA-N 2 1 388.600 3.734 20 0 GHADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001468390352 1067715585 /nfs/dbraw/zinc/71/55/85/1067715585.db2.gz VZCMHIADTUNDEZ-GOTSBHOMSA-N 2 1 398.595 3.879 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](CC(Cc1ccccc1)Cc1ccccc1)CCO2 ZINC001474595230 1067726149 /nfs/dbraw/zinc/72/61/49/1067726149.db2.gz IJWOEGZWXRWVRE-UHFFFAOYSA-N 2 1 378.560 3.885 20 0 GHADMP C[C@@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCC[N@H+]1Cc1ccccc1 ZINC000849098378 1067726597 /nfs/dbraw/zinc/72/65/97/1067726597.db2.gz ZBNIIZHJNCHHHJ-QHCPKHFHSA-N 2 1 394.519 3.839 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001477858565 1078597211 /nfs/dbraw/zinc/59/72/11/1078597211.db2.gz QJTXSXILFQBVGG-QHCPKHFHSA-N 2 1 398.595 3.879 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001478040638 1078686988 /nfs/dbraw/zinc/68/69/88/1078686988.db2.gz YCNAAVTZDOHLCD-VXKWHMMOSA-N 2 1 386.584 3.510 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cc1 ZINC001478040640 1078687092 /nfs/dbraw/zinc/68/70/92/1078687092.db2.gz YCNAAVTZDOHLCD-YADHBBJMSA-N 2 1 386.584 3.510 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001469757435 1068364183 /nfs/dbraw/zinc/36/41/83/1068364183.db2.gz CMDMSLFTYUJGIY-RBBKRZOGSA-N 2 1 388.600 3.707 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCCCC2)CC[N@H+]1C ZINC001478064353 1078699273 /nfs/dbraw/zinc/69/92/73/1078699273.db2.gz NSZFLVXRGIGEQE-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)CC[NH+]1C ZINC001478064353 1078699274 /nfs/dbraw/zinc/69/92/74/1078699274.db2.gz NSZFLVXRGIGEQE-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)CC[NH+]1C ZINC001478064353 1078699276 /nfs/dbraw/zinc/69/92/76/1078699276.db2.gz NSZFLVXRGIGEQE-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[NH+]2C1)Cc1ccccc1 ZINC001469843233 1068424261 /nfs/dbraw/zinc/42/42/61/1068424261.db2.gz DVPIGLKHNGHWKV-MZYLBHOOSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCC[NH+](CCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1)Cc1ccccc1 ZINC001469843233 1068424267 /nfs/dbraw/zinc/42/42/67/1068424267.db2.gz DVPIGLKHNGHWKV-MZYLBHOOSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCC[NH+](CCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1)Cc1ccccc1 ZINC001469843233 1068424271 /nfs/dbraw/zinc/42/42/71/1068424271.db2.gz DVPIGLKHNGHWKV-MZYLBHOOSA-N 2 1 385.596 3.915 20 0 GHADMP CCc1nccn1[C@H](C)CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001470293750 1068668625 /nfs/dbraw/zinc/66/86/25/1068668625.db2.gz NTUYMMIOCGPDNZ-TZIWHRDSSA-N 2 1 382.552 3.766 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001470293750 1068668630 /nfs/dbraw/zinc/66/86/30/1068668630.db2.gz NTUYMMIOCGPDNZ-TZIWHRDSSA-N 2 1 382.552 3.766 20 0 GHADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)[NH+](CC)CC)cc1 ZINC001470357245 1068697811 /nfs/dbraw/zinc/69/78/11/1068697811.db2.gz UXEHAZVZWDTQRN-RTWAWAEBSA-N 2 1 388.600 3.804 20 0 GHADMP OC[C@]1(c2ccccc2)CC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001460152040 1068815676 /nfs/dbraw/zinc/81/56/76/1068815676.db2.gz OPNICYILFJSMGE-SANMLTNESA-N 2 1 392.587 3.967 20 0 GHADMP OC[C@]1(c2ccccc2)CC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001460152040 1068815681 /nfs/dbraw/zinc/81/56/81/1068815681.db2.gz OPNICYILFJSMGE-SANMLTNESA-N 2 1 392.587 3.967 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460973013 1069307153 /nfs/dbraw/zinc/30/71/53/1069307153.db2.gz LSSHBYMUWYUNMH-RXVVDRJESA-N 2 1 376.545 3.599 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001460973013 1069307167 /nfs/dbraw/zinc/30/71/67/1069307167.db2.gz LSSHBYMUWYUNMH-RXVVDRJESA-N 2 1 376.545 3.599 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC001470653957 1072672581 /nfs/dbraw/zinc/67/25/81/1072672581.db2.gz PLPCABNANFOMJO-QZNJRLLKSA-N 2 1 390.616 3.545 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001470782414 1072737735 /nfs/dbraw/zinc/73/77/35/1072737735.db2.gz CARKGPSTYVFUAM-OAQYLSRUSA-N 2 1 398.595 3.656 20 0 GHADMP CC[C@@H](C)[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001478716450 1078964800 /nfs/dbraw/zinc/96/48/00/1078964800.db2.gz YKTVQMBGHLGNBV-SNWXZZBVSA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)[NH+](C)C)cc1 ZINC001478772724 1078983366 /nfs/dbraw/zinc/98/33/66/1078983366.db2.gz YGHNZQRLYMFDHE-LEWJYISDSA-N 2 1 388.600 3.660 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001479001091 1079058474 /nfs/dbraw/zinc/05/84/74/1079058474.db2.gz LJJBDUJRNFWLHG-NRFANRHFSA-N 2 1 392.632 3.937 20 0 GHADMP CC1(C)CN(C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001479001537 1079058991 /nfs/dbraw/zinc/05/89/91/1079058991.db2.gz PLBPVRGOLZEHIN-NRFANRHFSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)CN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001479001537 1079058997 /nfs/dbraw/zinc/05/89/97/1079058997.db2.gz PLBPVRGOLZEHIN-NRFANRHFSA-N 2 1 398.595 3.699 20 0 GHADMP CC1(C)CN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001479001537 1079059004 /nfs/dbraw/zinc/05/90/04/1079059004.db2.gz PLBPVRGOLZEHIN-NRFANRHFSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCN(c4cc[nH+]cc4)C3)cc2)C1 ZINC001472489372 1073509049 /nfs/dbraw/zinc/50/90/49/1073509049.db2.gz VQJLJKVZRMCOHA-AZUAARDMSA-N 2 1 378.520 3.779 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CCC1 ZINC001472565795 1073553358 /nfs/dbraw/zinc/55/33/58/1073553358.db2.gz BTNGEHHFHQWFDQ-GOTSBHOMSA-N 2 1 391.559 3.850 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC001472565795 1073553363 /nfs/dbraw/zinc/55/33/63/1073553363.db2.gz BTNGEHHFHQWFDQ-GOTSBHOMSA-N 2 1 391.559 3.850 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCC1 ZINC001472565795 1073553368 /nfs/dbraw/zinc/55/33/68/1073553368.db2.gz BTNGEHHFHQWFDQ-GOTSBHOMSA-N 2 1 391.559 3.850 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCC1CCCCC1 ZINC001473358513 1073934770 /nfs/dbraw/zinc/93/47/70/1073934770.db2.gz YDZJSUPXXWQODD-PMACEKPBSA-N 2 1 385.596 3.819 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCC1CCCCC1 ZINC001473358514 1073934823 /nfs/dbraw/zinc/93/48/23/1073934823.db2.gz YDZJSUPXXWQODD-WOJBJXKFSA-N 2 1 385.596 3.819 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCC[C@H]1C ZINC001473382924 1073942744 /nfs/dbraw/zinc/94/27/44/1073942744.db2.gz DQNMZKKTYPMAEM-NFBKMPQASA-N 2 1 385.596 3.976 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC001473725350 1074109770 /nfs/dbraw/zinc/10/97/70/1074109770.db2.gz NTUBYXAZCYKQIB-REWPJTCUSA-N 2 1 393.531 3.620 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC001473725350 1074109774 /nfs/dbraw/zinc/10/97/74/1074109774.db2.gz NTUBYXAZCYKQIB-REWPJTCUSA-N 2 1 393.531 3.620 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC001473725350 1074109777 /nfs/dbraw/zinc/10/97/77/1074109777.db2.gz NTUBYXAZCYKQIB-REWPJTCUSA-N 2 1 393.531 3.620 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC[C@@H]21 ZINC001473725350 1074109779 /nfs/dbraw/zinc/10/97/79/1074109779.db2.gz NTUBYXAZCYKQIB-REWPJTCUSA-N 2 1 393.531 3.620 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H](C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807501 1074153627 /nfs/dbraw/zinc/15/36/27/1074153627.db2.gz PCYXBIQCRZRKKO-IYWMVGAKSA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H](C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807501 1074153629 /nfs/dbraw/zinc/15/36/29/1074153629.db2.gz PCYXBIQCRZRKKO-IYWMVGAKSA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H](C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807501 1074153630 /nfs/dbraw/zinc/15/36/30/1074153630.db2.gz PCYXBIQCRZRKKO-IYWMVGAKSA-N 2 1 382.470 3.940 20 0 GHADMP FC(F)(F)[C@H]1CCC[C@H](C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC001473807501 1074153632 /nfs/dbraw/zinc/15/36/32/1074153632.db2.gz PCYXBIQCRZRKKO-IYWMVGAKSA-N 2 1 382.470 3.940 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001473809631 1074154735 /nfs/dbraw/zinc/15/47/35/1074154735.db2.gz OVMUIJYYNZTMCY-INIZCTEOSA-N 2 1 379.460 3.715 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001473809631 1074154737 /nfs/dbraw/zinc/15/47/37/1074154737.db2.gz OVMUIJYYNZTMCY-INIZCTEOSA-N 2 1 379.460 3.715 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC001473937308 1074211508 /nfs/dbraw/zinc/21/15/08/1074211508.db2.gz PPXFSCLSIZUSLS-CVEARBPZSA-N 2 1 377.520 3.779 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC001474067594 1074252488 /nfs/dbraw/zinc/25/24/88/1074252488.db2.gz AOKIKGMLUNKUTG-IAGOWNOFSA-N 2 1 376.850 3.826 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001474317049 1074338629 /nfs/dbraw/zinc/33/86/29/1074338629.db2.gz HPLRJRYPRCQWNW-KFWWJZLASA-N 2 1 381.483 3.637 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001474317049 1074338636 /nfs/dbraw/zinc/33/86/36/1074338636.db2.gz HPLRJRYPRCQWNW-KFWWJZLASA-N 2 1 381.483 3.637 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001474317049 1074338642 /nfs/dbraw/zinc/33/86/42/1074338642.db2.gz HPLRJRYPRCQWNW-KFWWJZLASA-N 2 1 381.483 3.637 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001474317049 1074338647 /nfs/dbraw/zinc/33/86/47/1074338647.db2.gz HPLRJRYPRCQWNW-KFWWJZLASA-N 2 1 381.483 3.637 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CCN1c1cc[nH+]cc1 ZINC001474686517 1074515433 /nfs/dbraw/zinc/51/54/33/1074515433.db2.gz YESVYXBSAVCBJN-SFHVURJKSA-N 2 1 396.535 3.817 20 0 GHADMP COc1cc(C[C@@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC001474744996 1074542651 /nfs/dbraw/zinc/54/26/51/1074542651.db2.gz NSSKWROAOYEKLD-TWHAJKEOSA-N 2 1 379.548 3.912 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821599048 599641870 /nfs/dbraw/zinc/64/18/70/599641870.db2.gz DFOJVLBIUNNHPW-FQEVSTJZSA-N 2 1 390.535 3.840 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821599048 599641871 /nfs/dbraw/zinc/64/18/71/599641871.db2.gz DFOJVLBIUNNHPW-FQEVSTJZSA-N 2 1 390.535 3.840 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821599048 599641872 /nfs/dbraw/zinc/64/18/72/599641872.db2.gz DFOJVLBIUNNHPW-FQEVSTJZSA-N 2 1 390.535 3.840 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821599048 599641873 /nfs/dbraw/zinc/64/18/73/599641873.db2.gz DFOJVLBIUNNHPW-FQEVSTJZSA-N 2 1 390.535 3.840 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc3sccc32)c2c1CC[NH2+]C2 ZINC001164684325 719616888 /nfs/dbraw/zinc/61/68/88/719616888.db2.gz OQMKKIYPXVEAFI-UHFFFAOYSA-N 2 1 375.929 3.621 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc3sccc32)c2c1CC[NH2+]C2 ZINC001164684325 719616892 /nfs/dbraw/zinc/61/68/92/719616892.db2.gz OQMKKIYPXVEAFI-UHFFFAOYSA-N 2 1 375.929 3.621 20 0 GHADMP Cc1ccc2c(c1)nc(Cl)cc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681655 719627140 /nfs/dbraw/zinc/62/71/40/719627140.db2.gz KPELTKAOVIXPTM-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP Cc1ccc2c(c1)nc(Cl)cc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681655 719627150 /nfs/dbraw/zinc/62/71/50/719627150.db2.gz KPELTKAOVIXPTM-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC[NH+]3Cc2cccnc2)nc1 ZINC001164725724 720471846 /nfs/dbraw/zinc/47/18/46/720471846.db2.gz JXNVAOXEQFIIKF-VJBWXMMDSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001164725724 720471856 /nfs/dbraw/zinc/47/18/56/720471856.db2.gz JXNVAOXEQFIIKF-VJBWXMMDSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001164725724 720471863 /nfs/dbraw/zinc/47/18/63/720471863.db2.gz JXNVAOXEQFIIKF-VJBWXMMDSA-N 2 1 391.563 3.877 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N4CCCC4)cc[nH+]3)C[C@@H]21 ZINC001165028893 721818528 /nfs/dbraw/zinc/81/85/28/721818528.db2.gz XYUWVISAWCHSHR-WTIAFYNJSA-N 2 1 391.563 3.814 20 0 GHADMP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCCCC1 ZINC000237895905 837405400 /nfs/dbraw/zinc/40/54/00/837405400.db2.gz FKROKZQLHRLHLM-IBGZPJMESA-N 2 1 383.561 3.625 20 0 GHADMP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCCCC1 ZINC000237895905 837405406 /nfs/dbraw/zinc/40/54/06/837405406.db2.gz FKROKZQLHRLHLM-IBGZPJMESA-N 2 1 383.561 3.625 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000531143142 837441384 /nfs/dbraw/zinc/44/13/84/837441384.db2.gz GUCFJUKDLXWBLU-LOSJGSFVSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000531143142 837441390 /nfs/dbraw/zinc/44/13/90/837441390.db2.gz GUCFJUKDLXWBLU-LOSJGSFVSA-N 2 1 396.575 3.878 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000414108961 837570882 /nfs/dbraw/zinc/57/08/82/837570882.db2.gz GTXJKPTUUKHBPK-NSHGMRRFSA-N 2 1 377.960 3.543 20 0 GHADMP Cc1ccc2cc(Cl)cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2n1 ZINC000648255035 837605001 /nfs/dbraw/zinc/60/50/01/837605001.db2.gz JBSGKOFJMIYRHH-UHFFFAOYSA-N 2 1 395.894 3.596 20 0 GHADMP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000613332767 837666688 /nfs/dbraw/zinc/66/66/88/837666688.db2.gz XNKGRNLKSFSZPH-UHFFFAOYSA-N 2 1 379.548 3.811 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655690769 837672794 /nfs/dbraw/zinc/67/27/94/837672794.db2.gz KPZGHVWPKIDVLE-GOSISDBHSA-N 2 1 381.358 3.570 20 0 GHADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655690772 837673435 /nfs/dbraw/zinc/67/34/35/837673435.db2.gz KPZGHVWPKIDVLE-SFHVURJKSA-N 2 1 381.358 3.570 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000655708916 837701101 /nfs/dbraw/zinc/70/11/01/837701101.db2.gz PRPCWOPTZRWJPY-PKOBYXMFSA-N 2 1 378.582 3.550 20 0 GHADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000583449446 834399165 /nfs/dbraw/zinc/39/91/65/834399165.db2.gz LBCAOZAWWZXUCG-QHCPKHFHSA-N 2 1 383.580 3.623 20 0 GHADMP COc1ccc2oc([C@@H](C)[NH2+]Cc3ccncc3OCC[NH+](C)C)c(C)c2c1 ZINC000583463489 834416917 /nfs/dbraw/zinc/41/69/17/834416917.db2.gz DFCCOIPHHGXFFK-MRXNPFEDSA-N 2 1 383.492 3.936 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(C(F)(F)F)cc1 ZINC000600971817 834554952 /nfs/dbraw/zinc/55/49/52/834554952.db2.gz JWYAJHAZHNTTQB-ROUUACIJSA-N 2 1 385.474 3.689 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000430149500 834586238 /nfs/dbraw/zinc/58/62/38/834586238.db2.gz WBOADZFAUQUJNX-QHCPKHFHSA-N 2 1 382.552 3.841 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000430149500 834586244 /nfs/dbraw/zinc/58/62/44/834586244.db2.gz WBOADZFAUQUJNX-QHCPKHFHSA-N 2 1 382.552 3.841 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000430149500 834586248 /nfs/dbraw/zinc/58/62/48/834586248.db2.gz WBOADZFAUQUJNX-QHCPKHFHSA-N 2 1 382.552 3.841 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000430149500 834586253 /nfs/dbraw/zinc/58/62/53/834586253.db2.gz WBOADZFAUQUJNX-QHCPKHFHSA-N 2 1 382.552 3.841 20 0 GHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)sc1Br ZINC000375755989 834631346 /nfs/dbraw/zinc/63/13/46/834631346.db2.gz HLVGGBOUUAWZFU-KBPBESRZSA-N 2 1 387.387 3.971 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000510054612 834724502 /nfs/dbraw/zinc/72/45/02/834724502.db2.gz IGUINJMHIOGCKO-HNNXBMFYSA-N 2 1 387.355 3.873 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)c(Cl)c1 ZINC000657879526 834882832 /nfs/dbraw/zinc/88/28/32/834882832.db2.gz LFEFMLCCMDZORU-HIFRSBDPSA-N 2 1 389.765 3.990 20 0 GHADMP COc1cc2ccc([C@@H](C)[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2cc1OC ZINC000657879093 834885954 /nfs/dbraw/zinc/88/59/54/834885954.db2.gz JILKVCHYFKJCOV-UTKZUKDTSA-N 2 1 386.536 3.745 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@H]3c3cccs3)CC2)CC1 ZINC000583702890 834897439 /nfs/dbraw/zinc/89/74/39/834897439.db2.gz HVAPZWVLYXXADW-HXUWFJFHSA-N 2 1 389.609 3.854 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000685442075 835012673 /nfs/dbraw/zinc/01/26/73/835012673.db2.gz QEKLYBOUGVVKBQ-SMIHKQSGSA-N 2 1 380.532 3.632 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)s2)cc1 ZINC000685457402 835023206 /nfs/dbraw/zinc/02/32/06/835023206.db2.gz BLWBIICNGMWETC-HXUWFJFHSA-N 2 1 384.593 3.719 20 0 GHADMP CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000685469985 835034204 /nfs/dbraw/zinc/03/42/04/835034204.db2.gz CJWTXRRAOPVROO-CZUORRHYSA-N 2 1 385.346 3.628 20 0 GHADMP CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000685469985 835034209 /nfs/dbraw/zinc/03/42/09/835034209.db2.gz CJWTXRRAOPVROO-CZUORRHYSA-N 2 1 385.346 3.628 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715168 835159742 /nfs/dbraw/zinc/15/97/42/835159742.db2.gz WYRWHXNUDFVHNV-OFNKIYASSA-N 2 1 379.548 3.841 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715168 835159747 /nfs/dbraw/zinc/15/97/47/835159747.db2.gz WYRWHXNUDFVHNV-OFNKIYASSA-N 2 1 379.548 3.841 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000511312327 835212516 /nfs/dbraw/zinc/21/25/16/835212516.db2.gz BPSGOBWCJMPGCQ-SPERDNLSSA-N 2 1 394.559 3.709 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000511312327 835212523 /nfs/dbraw/zinc/21/25/23/835212523.db2.gz BPSGOBWCJMPGCQ-SPERDNLSSA-N 2 1 394.559 3.709 20 0 GHADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3cc(Br)ccc23)CCCO1 ZINC000432848089 844031890 /nfs/dbraw/zinc/03/18/90/844031890.db2.gz YGKXFWZORVVYGF-CQSZACIVSA-N 2 1 378.314 3.910 20 0 GHADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3cc(Br)ccc23)CCCO1 ZINC000432848089 844031898 /nfs/dbraw/zinc/03/18/98/844031898.db2.gz YGKXFWZORVVYGF-CQSZACIVSA-N 2 1 378.314 3.910 20 0 GHADMP C[C@@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000430235904 835314677 /nfs/dbraw/zinc/31/46/77/835314677.db2.gz FWSYIBPYARMOSL-VWNXMTODSA-N 2 1 398.595 3.701 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4cccc(C)c4)CCC3)CC2)CC1 ZINC000655158307 835319196 /nfs/dbraw/zinc/31/91/96/835319196.db2.gz MNLIZRVFKQITPL-UHFFFAOYSA-N 2 1 383.580 3.687 20 0 GHADMP C[C@]1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000430242730 835356591 /nfs/dbraw/zinc/35/65/91/835356591.db2.gz SJYXZCAXZUBWRG-XMMPIXPASA-N 2 1 398.595 3.701 20 0 GHADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)c(Cl)c1 ZINC000658002795 835368429 /nfs/dbraw/zinc/36/84/29/835368429.db2.gz NSUCJGAMLOPRDI-ZDUSSCGKSA-N 2 1 388.781 3.779 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1Br ZINC000658144152 835454383 /nfs/dbraw/zinc/45/43/83/835454383.db2.gz KRCSLCNJFGYCGE-CRAIPNDOSA-N 2 1 389.337 3.867 20 0 GHADMP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1F ZINC000658137763 835462800 /nfs/dbraw/zinc/46/28/00/835462800.db2.gz LOYNPVQDXVXGTR-XLIONFOSSA-N 2 1 392.902 3.523 20 0 GHADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Cl)c1F ZINC000658137763 835462806 /nfs/dbraw/zinc/46/28/06/835462806.db2.gz LOYNPVQDXVXGTR-XLIONFOSSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc(Br)cs1 ZINC000658139198 835466718 /nfs/dbraw/zinc/46/67/18/835466718.db2.gz PJPAVJLWAMDAJT-CXAGYDPISA-N 2 1 395.366 3.928 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cc1 ZINC000658140892 835467472 /nfs/dbraw/zinc/46/74/72/835467472.db2.gz ALWVAMUHRBIHRR-QRWLVFNGSA-N 2 1 389.337 3.867 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(S(C)(=O)=O)CCCCC2)CC1 ZINC000658203975 835507067 /nfs/dbraw/zinc/50/70/67/835507067.db2.gz WCZJBIDFHZCGQM-UHFFFAOYSA-N 2 1 392.609 3.767 20 0 GHADMP CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000658296130 835559740 /nfs/dbraw/zinc/55/97/40/835559740.db2.gz GNULUIXNSBNECL-FNAHDJPLSA-N 2 1 383.580 3.524 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3CC3CCCC3)CC2)CC1 ZINC000655363694 835647602 /nfs/dbraw/zinc/64/76/02/835647602.db2.gz QVLWZYFGBSTNIE-JOCHJYFZSA-N 2 1 375.601 3.754 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000584113349 835662097 /nfs/dbraw/zinc/66/20/97/835662097.db2.gz NICYMFJYGLZLKA-HSZRJFAPSA-N 2 1 379.504 3.523 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)cc1 ZINC000584113349 835662101 /nfs/dbraw/zinc/66/21/01/835662101.db2.gz NICYMFJYGLZLKA-HSZRJFAPSA-N 2 1 379.504 3.523 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(F)cc2Br)CC1 ZINC000154473704 835686338 /nfs/dbraw/zinc/68/63/38/835686338.db2.gz ZSLSNSVLLSCJCT-HNNXBMFYSA-N 2 1 386.353 3.657 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000047302032 835742014 /nfs/dbraw/zinc/74/20/14/835742014.db2.gz BBARSDUVJKJZDE-JOCHJYFZSA-N 2 1 399.966 3.971 20 0 GHADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000611843327 835969625 /nfs/dbraw/zinc/96/96/25/835969625.db2.gz VIERWDIIAASTJU-JOCHJYFZSA-N 2 1 397.607 3.854 20 0 GHADMP CC1=C(c2ccco2)C[N@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000548929596 836201183 /nfs/dbraw/zinc/20/11/83/836201183.db2.gz AHIIEFSDPZCJBU-TZIWHRDSSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000548929596 836201192 /nfs/dbraw/zinc/20/11/92/836201192.db2.gz AHIIEFSDPZCJBU-TZIWHRDSSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548929596 836201200 /nfs/dbraw/zinc/20/12/00/836201200.db2.gz AHIIEFSDPZCJBU-TZIWHRDSSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548929596 836201203 /nfs/dbraw/zinc/20/12/03/836201203.db2.gz AHIIEFSDPZCJBU-TZIWHRDSSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[N@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000548929595 836201320 /nfs/dbraw/zinc/20/13/20/836201320.db2.gz AHIIEFSDPZCJBU-PZJWPPBQSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000548929595 836201329 /nfs/dbraw/zinc/20/13/29/836201329.db2.gz AHIIEFSDPZCJBU-PZJWPPBQSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548929595 836201339 /nfs/dbraw/zinc/20/13/39/836201339.db2.gz AHIIEFSDPZCJBU-PZJWPPBQSA-N 2 1 393.531 3.538 20 0 GHADMP CC1=C(c2ccco2)C[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548929595 836201345 /nfs/dbraw/zinc/20/13/45/836201345.db2.gz AHIIEFSDPZCJBU-PZJWPPBQSA-N 2 1 393.531 3.538 20 0 GHADMP CC(C)[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000017313713 836223709 /nfs/dbraw/zinc/22/37/09/836223709.db2.gz AMKZOVRNGWDHHP-UHFFFAOYSA-N 2 1 389.547 3.956 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000613377709 836236243 /nfs/dbraw/zinc/23/62/43/836236243.db2.gz PTGSIYVEEYLWCK-PMVMPFDFSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613377709 836236250 /nfs/dbraw/zinc/23/62/50/836236250.db2.gz PTGSIYVEEYLWCK-PMVMPFDFSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H](NC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613377709 836236257 /nfs/dbraw/zinc/23/62/57/836236257.db2.gz PTGSIYVEEYLWCK-PMVMPFDFSA-N 2 1 397.607 3.710 20 0 GHADMP CC(C)C[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000065960906 836350564 /nfs/dbraw/zinc/35/05/64/836350564.db2.gz ODQZWYOEWMNWOQ-UHFFFAOYSA-N 2 1 394.563 3.535 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc4c(c3)CCO4)cc2)CC1 ZINC000178132656 836369669 /nfs/dbraw/zinc/36/96/69/836369669.db2.gz NTGAQLPBIIVWJH-LJQANCHMSA-N 2 1 379.548 3.610 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)sc2C1 ZINC000613433733 836388894 /nfs/dbraw/zinc/38/88/94/836388894.db2.gz BXRIHVYWLJJMNJ-SFHVURJKSA-N 2 1 398.576 3.728 20 0 GHADMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H](C[NH+]3CCCC3)c3ccccc3)sc2C1 ZINC000613433733 836388905 /nfs/dbraw/zinc/38/89/05/836388905.db2.gz BXRIHVYWLJJMNJ-SFHVURJKSA-N 2 1 398.576 3.728 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC000431703573 836966906 /nfs/dbraw/zinc/96/69/06/836966906.db2.gz RQFIMENTXWYBHS-CZAYHTPWSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC000431703573 836966915 /nfs/dbraw/zinc/96/69/15/836966915.db2.gz RQFIMENTXWYBHS-CZAYHTPWSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC000431703573 836966925 /nfs/dbraw/zinc/96/69/25/836966925.db2.gz RQFIMENTXWYBHS-CZAYHTPWSA-N 2 1 386.584 3.554 20 0 GHADMP c1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)ccc1C[NH+]1CCOCC1 ZINC000275400542 836985344 /nfs/dbraw/zinc/98/53/44/836985344.db2.gz DYHHZOMKHFTQGF-FQEVSTJZSA-N 2 1 382.508 3.648 20 0 GHADMP c1cc(-c2noc([C@@H]3CCC[N@H+]3C3CCCC3)n2)ccc1C[NH+]1CCOCC1 ZINC000275400542 836985359 /nfs/dbraw/zinc/98/53/59/836985359.db2.gz DYHHZOMKHFTQGF-FQEVSTJZSA-N 2 1 382.508 3.648 20 0 GHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)ccc1Cl ZINC000180916912 844242065 /nfs/dbraw/zinc/24/20/65/844242065.db2.gz HPWZITRMSUBJOE-HXUWFJFHSA-N 2 1 385.939 3.636 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000431731599 837208959 /nfs/dbraw/zinc/20/89/59/837208959.db2.gz ZLGOUTJXGVKBNV-PZJWPPBQSA-N 2 1 387.568 3.603 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000511425490 837252019 /nfs/dbraw/zinc/25/20/19/837252019.db2.gz AMDGWEKIPCMVNS-RBBKRZOGSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000511425490 837252030 /nfs/dbraw/zinc/25/20/30/837252030.db2.gz AMDGWEKIPCMVNS-RBBKRZOGSA-N 2 1 398.595 3.603 20 0 GHADMP CC1(C)C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000511425490 837252036 /nfs/dbraw/zinc/25/20/36/837252036.db2.gz AMDGWEKIPCMVNS-RBBKRZOGSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)[C@@H](C)C1 ZINC000414345626 837257883 /nfs/dbraw/zinc/25/78/83/837257883.db2.gz FABUKYPCFQTYOW-JXFKEZNVSA-N 2 1 394.401 3.733 20 0 GHADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[N@@H+]4CCCC[C@@H]4C)cc3)cc12 ZINC000237529557 837266269 /nfs/dbraw/zinc/26/62/69/837266269.db2.gz NQZHDWPERPXFNJ-KRWDZBQOSA-N 2 1 377.536 3.941 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000655792264 837911930 /nfs/dbraw/zinc/91/19/30/837911930.db2.gz YNAUAJVVYJHTLF-YDPRHXJPSA-N 2 1 377.532 3.973 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579956273 838031068 /nfs/dbraw/zinc/03/10/68/838031068.db2.gz ADXYXYUJSKLFJL-MOPGFXCFSA-N 2 1 381.486 3.657 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579956273 838031074 /nfs/dbraw/zinc/03/10/74/838031074.db2.gz ADXYXYUJSKLFJL-MOPGFXCFSA-N 2 1 381.486 3.657 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3ccc4ccccc4c3)C2)CC1 ZINC000377902625 838133073 /nfs/dbraw/zinc/13/30/73/838133073.db2.gz FVIAWZAJYQOPDH-QHCPKHFHSA-N 2 1 381.564 3.709 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659284660 838208493 /nfs/dbraw/zinc/20/84/93/838208493.db2.gz LZZWPDDLHWKCLI-NOZRDPDXSA-N 2 1 389.543 3.736 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000659285320 838210211 /nfs/dbraw/zinc/21/02/11/838210211.db2.gz TXPCAVXLQRQIRC-ZYJGPIPZSA-N 2 1 375.516 3.533 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000535684658 844306737 /nfs/dbraw/zinc/30/67/37/844306737.db2.gz AJTDTGBWVWBOJO-LAUBAEHRSA-N 2 1 398.526 3.522 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000415916336 838264388 /nfs/dbraw/zinc/26/43/88/838264388.db2.gz HCEYUUMGYAUYJT-PGRDOPGGSA-N 2 1 380.536 3.923 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415920803 838271472 /nfs/dbraw/zinc/27/14/72/838271472.db2.gz PNYOTSWDACCHQO-RXVVDRJESA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000415933467 838282306 /nfs/dbraw/zinc/28/23/06/838282306.db2.gz PLOWSHSEQPLRGX-NRFANRHFSA-N 2 1 380.536 3.828 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000415945490 838298578 /nfs/dbraw/zinc/29/85/78/838298578.db2.gz DDTREXMEFCVTGX-PMACEKPBSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000415945490 838298587 /nfs/dbraw/zinc/29/85/87/838298587.db2.gz DDTREXMEFCVTGX-PMACEKPBSA-N 2 1 388.462 3.769 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc(C(F)(F)F)c1 ZINC000415965215 838324380 /nfs/dbraw/zinc/32/43/80/838324380.db2.gz ZRDTXTLPEXHGAA-INIZCTEOSA-N 2 1 384.446 3.550 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415961032 838331432 /nfs/dbraw/zinc/33/14/32/838331432.db2.gz QLVBYRFUDVDLAL-AWEZNQCLSA-N 2 1 386.462 3.654 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)c1ccccc1 ZINC000416131832 838610051 /nfs/dbraw/zinc/61/00/51/838610051.db2.gz AEXKQEMECGSZMT-XMMPIXPASA-N 2 1 391.559 3.729 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000416233115 838771028 /nfs/dbraw/zinc/77/10/28/838771028.db2.gz HUIJMAZRASWOAX-WXFUMESZSA-N 2 1 391.559 3.660 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000416240413 838785387 /nfs/dbraw/zinc/78/53/87/838785387.db2.gz JMCUZXZWKNOZPC-NOZRDPDXSA-N 2 1 391.559 3.804 20 0 GHADMP Cc1ccsc1C[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000549141646 838990741 /nfs/dbraw/zinc/99/07/41/838990741.db2.gz UYOBYQVSXMMLNO-UHFFFAOYSA-N 2 1 385.577 3.531 20 0 GHADMP Cc1ccsc1C[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000549141646 838990747 /nfs/dbraw/zinc/99/07/47/838990747.db2.gz UYOBYQVSXMMLNO-UHFFFAOYSA-N 2 1 385.577 3.531 20 0 GHADMP Cc1ccsc1C[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000549141646 838990753 /nfs/dbraw/zinc/99/07/53/838990753.db2.gz UYOBYQVSXMMLNO-UHFFFAOYSA-N 2 1 385.577 3.531 20 0 GHADMP Cc1ccsc1C[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000549141646 838990765 /nfs/dbraw/zinc/99/07/65/838990765.db2.gz UYOBYQVSXMMLNO-UHFFFAOYSA-N 2 1 385.577 3.531 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cnc4ccccc4n3)cc2)C[C@H](C)O1 ZINC000614385825 844393812 /nfs/dbraw/zinc/39/38/12/844393812.db2.gz KDXKELASCMMFFE-HDICACEKSA-N 2 1 376.504 3.529 20 0 GHADMP COC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCCC1 ZINC000580223418 839077012 /nfs/dbraw/zinc/07/70/12/839077012.db2.gz KUPPGXOSPXDUMG-XZOQPEGZSA-N 2 1 386.580 3.710 20 0 GHADMP CO[C@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C1CCCCC1 ZINC000659992447 839164066 /nfs/dbraw/zinc/16/40/66/839164066.db2.gz IMONTNVQXNDNTB-HSZRJFAPSA-N 2 1 379.633 3.710 20 0 GHADMP CO[C@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000659992447 839164074 /nfs/dbraw/zinc/16/40/74/839164074.db2.gz IMONTNVQXNDNTB-HSZRJFAPSA-N 3 1 379.633 3.710 20 0 GHADMP CO[C@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000659992447 839164078 /nfs/dbraw/zinc/16/40/78/839164078.db2.gz IMONTNVQXNDNTB-HSZRJFAPSA-N 3 1 379.633 3.710 20 0 GHADMP O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415073404 839169305 /nfs/dbraw/zinc/16/93/05/839169305.db2.gz BFBMEYDNRGRSGP-DENIHFKCSA-N 2 1 381.495 3.513 20 0 GHADMP Cc1cccc2ncnc(N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)c12 ZINC000431840382 839222662 /nfs/dbraw/zinc/22/26/62/839222662.db2.gz MSYXANUIGMTZDI-UHFFFAOYSA-N 2 1 381.568 3.571 20 0 GHADMP [NH3+]C1(CNCc2ccc(F)cc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000415138021 839264327 /nfs/dbraw/zinc/26/43/27/839264327.db2.gz UXEGRHGZRWSNGS-UHFFFAOYSA-N 2 1 395.444 3.928 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nn2)c1 ZINC000892938429 839494630 /nfs/dbraw/zinc/49/46/30/839494630.db2.gz NSARRLSGFZATNQ-UHFFFAOYSA-N 2 1 385.512 3.565 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nn2)c1 ZINC000892938429 839494637 /nfs/dbraw/zinc/49/46/37/839494637.db2.gz NSARRLSGFZATNQ-UHFFFAOYSA-N 2 1 385.512 3.565 20 0 GHADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)c2C1 ZINC000535797498 844472802 /nfs/dbraw/zinc/47/28/02/844472802.db2.gz FVMJMZRHPNRGFB-NRFANRHFSA-N 2 1 392.547 3.904 20 0 GHADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)c2C1 ZINC000535797498 844472812 /nfs/dbraw/zinc/47/28/12/844472812.db2.gz FVMJMZRHPNRGFB-NRFANRHFSA-N 2 1 392.547 3.904 20 0 GHADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cccnc4)C3)c2C1 ZINC000535797498 844472817 /nfs/dbraw/zinc/47/28/17/844472817.db2.gz FVMJMZRHPNRGFB-NRFANRHFSA-N 2 1 392.547 3.904 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)[C@@H](C)C1 ZINC000471605308 839953913 /nfs/dbraw/zinc/95/39/13/839953913.db2.gz GDMMVLBXOVXAQB-LAUBAEHRSA-N 2 1 375.532 3.587 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000512550559 844502279 /nfs/dbraw/zinc/50/22/79/844502279.db2.gz JIJNYOXEBQUQFR-UNWVZKJWSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000512550559 844502290 /nfs/dbraw/zinc/50/22/90/844502290.db2.gz JIJNYOXEBQUQFR-UNWVZKJWSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512550559 844502316 /nfs/dbraw/zinc/50/23/16/844502316.db2.gz JIJNYOXEBQUQFR-UNWVZKJWSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418480364 840296721 /nfs/dbraw/zinc/29/67/21/840296721.db2.gz CGHLEHNXHIHNTO-XMSQKQJNSA-N 2 1 380.536 3.512 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000580834674 840309868 /nfs/dbraw/zinc/30/98/68/840309868.db2.gz QTPHAGQQPSOJCA-PIKOESSRSA-N 2 1 379.504 3.865 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000580834674 840309879 /nfs/dbraw/zinc/30/98/79/840309879.db2.gz QTPHAGQQPSOJCA-PIKOESSRSA-N 2 1 379.504 3.865 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000416966737 840315643 /nfs/dbraw/zinc/31/56/43/840315643.db2.gz FZOALXPCGSIQQD-HXUWFJFHSA-N 2 1 398.595 3.594 20 0 GHADMP CC[C@H]1CN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000418499156 840335407 /nfs/dbraw/zinc/33/54/07/840335407.db2.gz XXOHFHQISVSDEV-AVRDEDQJSA-N 2 1 380.536 3.512 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[N@H+]1Cc1ccccc1 ZINC000390712894 840373060 /nfs/dbraw/zinc/37/30/60/840373060.db2.gz XHFLRZREVRZWGR-SDUSCBPUSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[NH+]1Cc1ccccc1 ZINC000390712894 840373069 /nfs/dbraw/zinc/37/30/69/840373069.db2.gz XHFLRZREVRZWGR-SDUSCBPUSA-N 2 1 393.575 3.530 20 0 GHADMP C[C@@H]1C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[NH+]1Cc1ccccc1 ZINC000390712894 840373078 /nfs/dbraw/zinc/37/30/78/840373078.db2.gz XHFLRZREVRZWGR-SDUSCBPUSA-N 2 1 393.575 3.530 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000584689659 840564619 /nfs/dbraw/zinc/56/46/19/840564619.db2.gz YAKQNKRECVULEP-GOSISDBHSA-N 2 1 392.613 3.520 20 0 GHADMP C[N@@H+](CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CCCC1 ZINC000431929398 840585095 /nfs/dbraw/zinc/58/50/95/840585095.db2.gz YMAHUNUBXPEVSQ-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2nc(-c3ccccc3Cl)cs2)CC12CCOCC2 ZINC000581012710 840591512 /nfs/dbraw/zinc/59/15/12/840591512.db2.gz MIJCUSBQBWZFHP-CQSZACIVSA-N 2 1 377.941 3.651 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)CC12CCOCC2 ZINC000581012710 840591520 /nfs/dbraw/zinc/59/15/20/840591520.db2.gz MIJCUSBQBWZFHP-CQSZACIVSA-N 2 1 377.941 3.651 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000660468728 840596004 /nfs/dbraw/zinc/59/60/04/840596004.db2.gz MXHPVGJAYOGUHV-GOSISDBHSA-N 2 1 399.514 3.526 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000660468728 840596010 /nfs/dbraw/zinc/59/60/10/840596010.db2.gz MXHPVGJAYOGUHV-GOSISDBHSA-N 2 1 399.514 3.526 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)sc1Br ZINC000511765586 840688038 /nfs/dbraw/zinc/68/80/38/840688038.db2.gz SZINRUUPOXNEJQ-KBPBESRZSA-N 2 1 375.376 3.971 20 0 GHADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)sc1Br ZINC000511765586 840688043 /nfs/dbraw/zinc/68/80/43/840688043.db2.gz SZINRUUPOXNEJQ-KBPBESRZSA-N 2 1 375.376 3.971 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000511772647 840699141 /nfs/dbraw/zinc/69/91/41/840699141.db2.gz NAQVKIWGNZBMQJ-PXNSSMCTSA-N 2 1 379.504 3.522 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581255668 840962305 /nfs/dbraw/zinc/96/23/05/840962305.db2.gz MELHMNXHPRNXQJ-LJQANCHMSA-N 2 1 389.927 3.987 20 0 GHADMP COC1(C[C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CCC1 ZINC000277069844 844595569 /nfs/dbraw/zinc/59/55/69/844595569.db2.gz IRFJFCFQBJEKRS-IBGZPJMESA-N 2 1 390.568 3.614 20 0 GHADMP O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674062 841087185 /nfs/dbraw/zinc/08/71/85/841087185.db2.gz LMDLYPDOJKKQEW-ZCYQVOJMSA-N 2 1 394.559 3.696 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N(CCC[NH3+])CC2CCCC2)[C@@H]1c1cccs1 ZINC000417730247 841162712 /nfs/dbraw/zinc/16/27/12/841162712.db2.gz DIUQFWFZVGYEOS-UYAOXDASSA-N 2 1 392.613 3.682 20 0 GHADMP C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001167458007 841253715 /nfs/dbraw/zinc/25/37/15/841253715.db2.gz OMRKRICQVNGYCJ-OAQYLSRUSA-N 2 1 378.564 3.946 20 0 GHADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430590013 841273807 /nfs/dbraw/zinc/27/38/07/841273807.db2.gz JQUAWYBXVBQDGJ-ZDUSSCGKSA-N 2 1 398.429 3.646 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000662739358 841521714 /nfs/dbraw/zinc/52/17/14/841521714.db2.gz MWWYKXHVOCSFJN-NXHRZFHOSA-N 2 1 397.485 3.593 20 0 GHADMP CCc1cc2c(C[NH2+][C@@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)cc(=O)oc2cc1O ZINC000185713212 861222522 /nfs/dbraw/zinc/22/25/22/861222522.db2.gz NENBDXLDUKPCAX-RDJZCZTQSA-N 2 1 384.520 3.804 20 0 GHADMP CCc1cc2c(C[NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)cc(=O)oc2cc1O ZINC000185713212 861222539 /nfs/dbraw/zinc/22/25/39/861222539.db2.gz NENBDXLDUKPCAX-RDJZCZTQSA-N 2 1 384.520 3.804 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000581579807 841714609 /nfs/dbraw/zinc/71/46/09/841714609.db2.gz QVEOLAVFNFXLLG-GLGNMHNGSA-N 2 1 380.479 3.875 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000581579807 841714617 /nfs/dbraw/zinc/71/46/17/841714617.db2.gz QVEOLAVFNFXLLG-GLGNMHNGSA-N 2 1 380.479 3.875 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000109323532 841861294 /nfs/dbraw/zinc/86/12/94/841861294.db2.gz KTYXKAPEDHVJQH-IBGZPJMESA-N 2 1 383.540 3.907 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000109323532 841861303 /nfs/dbraw/zinc/86/13/03/841861303.db2.gz KTYXKAPEDHVJQH-IBGZPJMESA-N 2 1 383.540 3.907 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CN(c3ccccc3)CCO2)cc1 ZINC000581674454 841986383 /nfs/dbraw/zinc/98/63/83/841986383.db2.gz GKDRVBRIOJGYDV-MBSDFSHPSA-N 2 1 376.504 3.737 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)Cc3ccccc3C)CC2)CC1 ZINC000581676492 841993883 /nfs/dbraw/zinc/99/38/83/841993883.db2.gz ZEJWPBFUDPKTLF-FQEVSTJZSA-N 2 1 385.596 3.581 20 0 GHADMP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000303506109 842003407 /nfs/dbraw/zinc/00/34/07/842003407.db2.gz VYGOERWBVMTTIE-OFNKIYASSA-N 2 1 394.563 3.643 20 0 GHADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000625814541 842008689 /nfs/dbraw/zinc/00/86/89/842008689.db2.gz WYOSEIFHJMRFLE-PZJWPPBQSA-N 2 1 389.971 3.543 20 0 GHADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000625814541 842008700 /nfs/dbraw/zinc/00/87/00/842008700.db2.gz WYOSEIFHJMRFLE-PZJWPPBQSA-N 2 1 389.971 3.543 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001167824983 842035467 /nfs/dbraw/zinc/03/54/67/842035467.db2.gz JFSJDQYKQINDCW-XMSQKQJNSA-N 2 1 375.532 3.765 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3Cl)cn2)CC1 ZINC000432234462 842218399 /nfs/dbraw/zinc/21/83/99/842218399.db2.gz WBPOZNXBHBWFMQ-UHFFFAOYSA-N 2 1 397.325 3.959 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000652347138 842315808 /nfs/dbraw/zinc/31/58/08/842315808.db2.gz SPPCECTYJMDKAX-YXPKMTABSA-N 2 1 393.531 3.585 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000652347752 842318461 /nfs/dbraw/zinc/31/84/61/842318461.db2.gz KRWPKNNCDVGILX-XJUOHMSHSA-N 2 1 393.531 3.657 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000278954409 842373600 /nfs/dbraw/zinc/37/36/00/842373600.db2.gz LSKISEFQYPIDHR-VXGBXAGGSA-N 2 1 387.377 3.999 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCOC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167841358 842413346 /nfs/dbraw/zinc/41/33/46/842413346.db2.gz LBPOKHPCOMVLIM-WOJBJXKFSA-N 2 1 399.620 3.845 20 0 GHADMP CC1(C)CC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC(C)(C)[NH2+]1 ZINC000623673615 861308649 /nfs/dbraw/zinc/30/86/49/861308649.db2.gz HBSUQCSYBMNAPD-LEWJYISDSA-N 2 1 383.580 3.570 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000279068550 842550971 /nfs/dbraw/zinc/55/09/71/842550971.db2.gz ZWKDWWHGOOLXAW-LNLFQRSKSA-N 2 1 387.499 3.883 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC000581901504 842557005 /nfs/dbraw/zinc/55/70/05/842557005.db2.gz WVPXPBYOSMCPOZ-SVMVAKDDSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC2 ZINC000581901504 842557013 /nfs/dbraw/zinc/55/70/13/842557013.db2.gz WVPXPBYOSMCPOZ-SVMVAKDDSA-N 2 1 394.563 3.548 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000512129157 842591505 /nfs/dbraw/zinc/59/15/05/842591505.db2.gz UWCFEKNKKLWFKX-KXBFYZLASA-N 2 1 397.485 3.855 20 0 GHADMP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000168557298 842702998 /nfs/dbraw/zinc/70/29/98/842702998.db2.gz OMJVQBGETDHYFF-UHFFFAOYSA-N 2 1 392.330 3.847 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512169520 842719765 /nfs/dbraw/zinc/71/97/65/842719765.db2.gz OVJQFQJHFNUTGR-FPOVZHCZSA-N 2 1 388.552 3.571 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000512169520 842719770 /nfs/dbraw/zinc/71/97/70/842719770.db2.gz OVJQFQJHFNUTGR-FPOVZHCZSA-N 2 1 388.552 3.571 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512178920 842773542 /nfs/dbraw/zinc/77/35/42/842773542.db2.gz KCTRUWDDZIUKPQ-KDURUIRLSA-N 2 1 396.579 3.810 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581946240 842788492 /nfs/dbraw/zinc/78/84/92/842788492.db2.gz FGPKGLWBSFBSQB-BGYRXZFFSA-N 2 1 385.596 3.717 20 0 GHADMP C[C@H]([NH2+]Cc1cc(Br)ccc1Br)[C@H]1CCC[NH2+]C1 ZINC000573437039 842850010 /nfs/dbraw/zinc/85/00/10/842850010.db2.gz NBUYIGRXPLMVON-QWRGUYRKSA-N 2 1 376.136 3.689 20 0 GHADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000430717315 842891062 /nfs/dbraw/zinc/89/10/62/842891062.db2.gz YMJCCLDFDNOCOB-SYYKKAFVSA-N 2 1 387.568 3.652 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000165129545 842979804 /nfs/dbraw/zinc/97/98/04/842979804.db2.gz PWEMVVFBARCMRL-KRWDZBQOSA-N 2 1 376.504 3.776 20 0 GHADMP Cc1cc(Br)c(C[NH+]2CCC(OCCC[NH3+])CC2)cc1Cl ZINC000662247996 843011899 /nfs/dbraw/zinc/01/18/99/843011899.db2.gz QJMBKJHFZMHGCZ-UHFFFAOYSA-N 2 1 375.738 3.741 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000178462166 861370664 /nfs/dbraw/zinc/37/06/64/861370664.db2.gz LGELPSVSYPJKRZ-CVEARBPZSA-N 2 1 398.532 3.964 20 0 GHADMP Cn1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(-c2ccccc2)n1 ZINC000279413872 843052768 /nfs/dbraw/zinc/05/27/68/843052768.db2.gz MLRXCVQAZLGQGV-UHFFFAOYSA-N 2 1 375.520 4.000 20 0 GHADMP c1csc(-c2cnc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)[nH]n4)CC3)o2)c1 ZINC000662327121 843142171 /nfs/dbraw/zinc/14/21/71/843142171.db2.gz JUFSZOBRRORNLZ-UHFFFAOYSA-N 2 1 397.548 3.973 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512256860 843244752 /nfs/dbraw/zinc/24/47/52/843244752.db2.gz CIGNIMBEMJKHIT-GECPAALWSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662515607 843371255 /nfs/dbraw/zinc/37/12/55/843371255.db2.gz XFJMBLPKCHPUKF-SFTDATJTSA-N 2 1 385.458 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000662515607 843371263 /nfs/dbraw/zinc/37/12/63/843371263.db2.gz XFJMBLPKCHPUKF-SFTDATJTSA-N 2 1 385.458 3.522 20 0 GHADMP C[C@@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000662582645 843420778 /nfs/dbraw/zinc/42/07/78/843420778.db2.gz QWFJHGNGGGYRGO-BRWVUGGUSA-N 2 1 383.561 3.517 20 0 GHADMP C[C@@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000662582645 843420785 /nfs/dbraw/zinc/42/07/85/843420785.db2.gz QWFJHGNGGGYRGO-BRWVUGGUSA-N 2 1 383.561 3.517 20 0 GHADMP [NH3+]CCC[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000418665010 843517861 /nfs/dbraw/zinc/51/78/61/843517861.db2.gz DHVOFZYNTRKODJ-JOCHJYFZSA-N 2 1 386.584 3.764 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418682301 843530682 /nfs/dbraw/zinc/53/06/82/843530682.db2.gz WGMLQFXAXWMVLL-KCZVDYSFSA-N 2 1 386.584 3.763 20 0 GHADMP CCC[N@H+](CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431067953 843533809 /nfs/dbraw/zinc/53/38/09/843533809.db2.gz ALSZQCYGEBBQIB-DEOSSOPVSA-N 2 1 397.538 3.838 20 0 GHADMP CCC[N@@H+](CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431067953 843533818 /nfs/dbraw/zinc/53/38/18/843533818.db2.gz ALSZQCYGEBBQIB-DEOSSOPVSA-N 2 1 397.538 3.838 20 0 GHADMP CN(C(=O)c1ccc(C(F)F)o1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000626262039 843556074 /nfs/dbraw/zinc/55/60/74/843556074.db2.gz SUEGFCBGKPQYEP-HOTGVXAUSA-N 2 1 383.483 3.626 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001167821048 843691669 /nfs/dbraw/zinc/69/16/69/843691669.db2.gz AEBOXBSPWGITOW-PGRDOPGGSA-N 2 1 375.532 3.765 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512403510 843704853 /nfs/dbraw/zinc/70/48/53/843704853.db2.gz DPIMDHMVEOOGFL-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP CCOCCOc1ccc(Br)cc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253808 843754304 /nfs/dbraw/zinc/75/43/04/843754304.db2.gz CQPBFYCZZGVFOP-INIZCTEOSA-N 2 1 399.373 3.638 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512429314 843763574 /nfs/dbraw/zinc/76/35/74/843763574.db2.gz FLYHAMQEIVULJY-KNQAVFIVSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512429314 843763577 /nfs/dbraw/zinc/76/35/77/843763577.db2.gz FLYHAMQEIVULJY-KNQAVFIVSA-N 2 1 397.567 3.524 20 0 GHADMP Cc1ccccc1CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512426653 843767884 /nfs/dbraw/zinc/76/78/84/843767884.db2.gz HXBMOZPZPOPKOC-RUZDIDTESA-N 2 1 377.576 3.820 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000500662782 843786403 /nfs/dbraw/zinc/78/64/03/843786403.db2.gz ISFGLOZTUXEUOU-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000500662782 843786408 /nfs/dbraw/zinc/78/64/08/843786408.db2.gz ISFGLOZTUXEUOU-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000500662782 843786416 /nfs/dbraw/zinc/78/64/16/843786416.db2.gz ISFGLOZTUXEUOU-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCSc4ccccc4)CC3)C2)cc1 ZINC000512467362 843910113 /nfs/dbraw/zinc/91/01/13/843910113.db2.gz BTSXRILJZZTRIS-JOCHJYFZSA-N 2 1 381.589 3.671 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCSc4ccccc4)CC3)C2)cc1 ZINC000512467362 843910120 /nfs/dbraw/zinc/91/01/20/843910120.db2.gz BTSXRILJZZTRIS-JOCHJYFZSA-N 2 1 381.589 3.671 20 0 GHADMP [NH3+]CCCCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237981364 843992881 /nfs/dbraw/zinc/99/28/81/843992881.db2.gz AKZKXCIYIQZUSQ-UHFFFAOYSA-N 2 1 386.367 3.983 20 0 GHADMP C[N@@H+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513155240 844708944 /nfs/dbraw/zinc/70/89/44/844708944.db2.gz VFSOXIJHKYGBOW-KORDQABASA-N 2 1 380.532 3.650 20 0 GHADMP C[NH+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513155240 844708962 /nfs/dbraw/zinc/70/89/62/844708962.db2.gz VFSOXIJHKYGBOW-KORDQABASA-N 2 1 380.532 3.650 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000512659712 844937553 /nfs/dbraw/zinc/93/75/53/844937553.db2.gz JJULIEKXULGYGE-ZRBLBEILSA-N 2 1 376.548 3.787 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182471621 844991059 /nfs/dbraw/zinc/99/10/59/844991059.db2.gz IAHUQLUDOKFWDC-KSEOMHKRSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182471621 844991063 /nfs/dbraw/zinc/99/10/63/844991063.db2.gz IAHUQLUDOKFWDC-KSEOMHKRSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182471621 844991067 /nfs/dbraw/zinc/99/10/67/844991067.db2.gz IAHUQLUDOKFWDC-KSEOMHKRSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC[N@@H+]1Cc1ccccc1 ZINC000513212853 845055689 /nfs/dbraw/zinc/05/56/89/845055689.db2.gz RCXZNWPJQVJVAV-DOTOQJQBSA-N 2 1 393.457 3.550 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCNc2nccc(C(F)(F)F)n2)CC[N@H+]1Cc1ccccc1 ZINC000513212853 845055691 /nfs/dbraw/zinc/05/56/91/845055691.db2.gz RCXZNWPJQVJVAV-DOTOQJQBSA-N 2 1 393.457 3.550 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)COc1ncccc1Br ZINC000181514159 845062511 /nfs/dbraw/zinc/06/25/11/845062511.db2.gz GDGKXMLCQKWVJP-UHFFFAOYSA-N 2 1 381.318 3.576 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cccs1 ZINC000433109253 845317689 /nfs/dbraw/zinc/31/76/89/845317689.db2.gz DECKKRZRDWKITL-IBGZPJMESA-N 2 1 397.588 3.913 20 0 GHADMP COCCOc1ccc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cc1OC ZINC000433761914 845320284 /nfs/dbraw/zinc/32/02/84/845320284.db2.gz HVWNOKVGJGRVQE-IBGZPJMESA-N 2 1 399.535 3.551 20 0 GHADMP COCCOc1ccc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cc1OC ZINC000433761914 845320291 /nfs/dbraw/zinc/32/02/91/845320291.db2.gz HVWNOKVGJGRVQE-IBGZPJMESA-N 2 1 399.535 3.551 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000047883955 845445422 /nfs/dbraw/zinc/44/54/22/845445422.db2.gz PHBPUSFAAISAQG-LJQANCHMSA-N 2 1 386.584 3.733 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000047883932 845445499 /nfs/dbraw/zinc/44/54/99/845445499.db2.gz UMKQWGVHSICFDK-IBGZPJMESA-N 2 1 386.584 3.591 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)c(C)n2n1 ZINC000179417359 861571692 /nfs/dbraw/zinc/57/16/92/861571692.db2.gz QZVOUUGGCHWVKV-WMZOPIPTSA-N 2 1 383.565 3.970 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)c(C)n2n1 ZINC000179417359 861571702 /nfs/dbraw/zinc/57/17/02/861571702.db2.gz QZVOUUGGCHWVKV-WMZOPIPTSA-N 2 1 383.565 3.970 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(OC(C)C)ccc4ccccc43)C2)CC1 ZINC000513479627 845516798 /nfs/dbraw/zinc/51/67/98/845516798.db2.gz OZUSFRXOVUMHHQ-NRFANRHFSA-N 2 1 381.564 3.839 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000513488385 845539624 /nfs/dbraw/zinc/53/96/24/845539624.db2.gz UCKZBMYKCBVRAW-PZJWPPBQSA-N 2 1 385.596 3.914 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]CC[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)cnc2n1 ZINC000513544377 845635985 /nfs/dbraw/zinc/63/59/85/845635985.db2.gz HHVPVFICYYZMJK-NQIIRXRSSA-N 2 1 377.536 3.736 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000433958854 845668577 /nfs/dbraw/zinc/66/85/77/845668577.db2.gz JAVRTOPNMIJJBO-XSXHAURPSA-N 2 1 394.563 3.908 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000472080452 845730918 /nfs/dbraw/zinc/73/09/18/845730918.db2.gz PAURRHFQDGHYLR-QRQLOZEOSA-N 2 1 399.501 3.791 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(-c4ccsc4)s3)CC2)CC1 ZINC000421370334 846182581 /nfs/dbraw/zinc/18/25/81/846182581.db2.gz IKGOPLNNHWCMJB-UHFFFAOYSA-N 2 1 390.622 3.864 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000513677969 846225199 /nfs/dbraw/zinc/22/51/99/846225199.db2.gz FWLRFBWWOJIDGE-UHFFFAOYSA-N 2 1 379.548 3.969 20 0 GHADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000472166355 846350070 /nfs/dbraw/zinc/35/00/70/846350070.db2.gz WSNJMUZBTNBZML-QHCPKHFHSA-N 2 1 391.559 3.858 20 0 GHADMP CC1(C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]2CCC[C@H]21 ZINC000555716760 861673938 /nfs/dbraw/zinc/67/39/38/861673938.db2.gz YLZMIXCFFUSGEC-WOJBJXKFSA-N 2 1 387.593 3.684 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262060578 846439063 /nfs/dbraw/zinc/43/90/63/846439063.db2.gz RCXBIBMOEHOJRS-UHFFFAOYSA-N 2 1 389.341 3.519 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000502858153 846553839 /nfs/dbraw/zinc/55/38/39/846553839.db2.gz HOFQVFDQWWNBJQ-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000502858153 846553846 /nfs/dbraw/zinc/55/38/46/846553846.db2.gz HOFQVFDQWWNBJQ-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000502858153 846553852 /nfs/dbraw/zinc/55/38/52/846553852.db2.gz HOFQVFDQWWNBJQ-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090886 846612233 /nfs/dbraw/zinc/61/22/33/846612233.db2.gz TYYRPOCAIIVQAI-IWQHBPENSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501077566 846619905 /nfs/dbraw/zinc/61/99/05/846619905.db2.gz IUEOOZDQHCHJSV-MRXNPFEDSA-N 2 1 386.927 3.910 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C2CC2)c(F)c1 ZINC000421840992 846631272 /nfs/dbraw/zinc/63/12/72/846631272.db2.gz JJWTXDHGCUZKLS-WMZHIEFXSA-N 2 1 384.495 3.642 20 0 GHADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501113887 846660391 /nfs/dbraw/zinc/66/03/91/846660391.db2.gz OYCPRDMCNNPPAG-KSZLIROESA-N 2 1 381.511 3.839 20 0 GHADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501113887 846660395 /nfs/dbraw/zinc/66/03/95/846660395.db2.gz OYCPRDMCNNPPAG-KSZLIROESA-N 2 1 381.511 3.839 20 0 GHADMP CC[C@@H](C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000503023814 846718652 /nfs/dbraw/zinc/71/86/52/846718652.db2.gz MCFORKWPCNTFJN-NRFANRHFSA-N 2 1 395.547 3.631 20 0 GHADMP Cc1[nH+]c2cc(NCc3nc4c(s3)C[N@@H+](C(C)C)CC4)ccc2n1[C@H](C)CO ZINC000419758441 846779121 /nfs/dbraw/zinc/77/91/21/846779121.db2.gz DWVBRZKLBCAQRJ-CQSZACIVSA-N 2 1 399.564 3.733 20 0 GHADMP Clc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1I ZINC000503088117 846793694 /nfs/dbraw/zinc/79/36/94/846793694.db2.gz UXDZAQXCPYEVRZ-CHWSQXEVSA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1I ZINC000503088117 846793705 /nfs/dbraw/zinc/79/37/05/846793705.db2.gz UXDZAQXCPYEVRZ-CHWSQXEVSA-N 2 1 390.696 3.661 20 0 GHADMP Cc1ccc2nc(CSCC(=O)N(C)CC[N@@H+](C)C3CCCCC3)cn2c1 ZINC000501433529 846926562 /nfs/dbraw/zinc/92/65/62/846926562.db2.gz HCKREJSLYJFAIA-UHFFFAOYSA-N 2 1 388.581 3.599 20 0 GHADMP O=C(C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1)Nc1ccccc1F ZINC000420295845 847090252 /nfs/dbraw/zinc/09/02/52/847090252.db2.gz AZNIVZIEXJTJES-INIZCTEOSA-N 2 1 389.902 3.919 20 0 GHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000420365967 847141707 /nfs/dbraw/zinc/14/17/07/847141707.db2.gz QPGWEADAQACZGS-FPOVZHCZSA-N 2 1 385.939 3.523 20 0 GHADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420390940 847156677 /nfs/dbraw/zinc/15/66/77/847156677.db2.gz IARUXVHGRALZPG-JOQOYGCGSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Cl)c(Cl)c1 ZINC000420390940 847156683 /nfs/dbraw/zinc/15/66/83/847156683.db2.gz IARUXVHGRALZPG-JOQOYGCGSA-N 2 1 384.351 3.635 20 0 GHADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420412002 847175310 /nfs/dbraw/zinc/17/53/10/847175310.db2.gz ZAGYOYSZFLAQST-DHIUTWEWSA-N 2 1 391.559 3.698 20 0 GHADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC000420412002 847175321 /nfs/dbraw/zinc/17/53/21/847175321.db2.gz ZAGYOYSZFLAQST-DHIUTWEWSA-N 2 1 391.559 3.698 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000272811258 847179511 /nfs/dbraw/zinc/17/95/11/847179511.db2.gz ARCVBAYXDROITF-NQIIRXRSSA-N 2 1 379.504 3.786 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000272811258 847179516 /nfs/dbraw/zinc/17/95/16/847179516.db2.gz ARCVBAYXDROITF-NQIIRXRSSA-N 2 1 379.504 3.786 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501827663 847217730 /nfs/dbraw/zinc/21/77/30/847217730.db2.gz QIQVJYCFWAENLG-NHCUHLMSSA-N 2 1 397.567 3.744 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657429850 847251150 /nfs/dbraw/zinc/25/11/50/847251150.db2.gz LNTBRNWEENEENC-SFHVURJKSA-N 2 1 394.437 3.674 20 0 GHADMP C[C@@H](CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCC1 ZINC000501951503 847341577 /nfs/dbraw/zinc/34/15/77/847341577.db2.gz VZVSSTVUUGAGJI-URXFXBBRSA-N 2 1 398.595 3.559 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000582501760 847428324 /nfs/dbraw/zinc/42/83/24/847428324.db2.gz DUHXENLITGYDQG-UKDVSSAZSA-N 2 1 393.575 3.724 20 0 GHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(OC(F)F)cc1 ZINC000420905362 847521934 /nfs/dbraw/zinc/52/19/34/847521934.db2.gz QNGGNRUTIINZCF-UHFFFAOYSA-N 2 1 376.447 3.752 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(OC(F)F)cc1 ZINC000420905362 847521940 /nfs/dbraw/zinc/52/19/40/847521940.db2.gz QNGGNRUTIINZCF-UHFFFAOYSA-N 2 1 376.447 3.752 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000420891704 847535097 /nfs/dbraw/zinc/53/50/97/847535097.db2.gz BRNNYFJULQAPSR-UBVWURDFSA-N 2 1 398.595 3.557 20 0 GHADMP c1ccc2c(c1)CO[C@@]21CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420921671 847542671 /nfs/dbraw/zinc/54/26/71/847542671.db2.gz LYVOVQMFLJYKII-XMMPIXPASA-N 2 1 378.516 3.540 20 0 GHADMP c1ccc2c(c1)CO[C@@]21CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420921671 847542677 /nfs/dbraw/zinc/54/26/77/847542677.db2.gz LYVOVQMFLJYKII-XMMPIXPASA-N 2 1 378.516 3.540 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](CCCCn2ccnc2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429141121 861803924 /nfs/dbraw/zinc/80/39/24/861803924.db2.gz KJMQUWZHKZFCCY-RBUKOAKNSA-N 2 1 375.900 3.514 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429141121 861803940 /nfs/dbraw/zinc/80/39/40/861803940.db2.gz KJMQUWZHKZFCCY-RBUKOAKNSA-N 2 1 375.900 3.514 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429141121 861803954 /nfs/dbraw/zinc/80/39/54/861803954.db2.gz KJMQUWZHKZFCCY-RBUKOAKNSA-N 2 1 375.900 3.514 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSc3ccc(C)c(C)c3)CC2)CC1 ZINC000420977427 847603688 /nfs/dbraw/zinc/60/36/88/847603688.db2.gz ICHWNGDRLJMYSM-UHFFFAOYSA-N 2 1 375.626 3.888 20 0 GHADMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503404531 847668288 /nfs/dbraw/zinc/66/82/88/847668288.db2.gz GYJJDYFOABTBAY-AZUAARDMSA-N 2 1 392.547 3.767 20 0 GHADMP C[C@@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503404531 847668294 /nfs/dbraw/zinc/66/82/94/847668294.db2.gz GYJJDYFOABTBAY-AZUAARDMSA-N 2 1 392.547 3.767 20 0 GHADMP C[N@@H+](CCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCCC1 ZINC000503393097 847672320 /nfs/dbraw/zinc/67/23/20/847672320.db2.gz YUHGGNDMHROYQV-OAQYLSRUSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000503416701 847681815 /nfs/dbraw/zinc/68/18/15/847681815.db2.gz WZPFNVSGYROGCA-MBDNFAEBSA-N 2 1 392.632 3.506 20 0 GHADMP O=C1[C@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441941 847707867 /nfs/dbraw/zinc/70/78/67/847707867.db2.gz PGORQKCDMUTVRY-DYESRHJHSA-N 2 1 396.510 3.734 20 0 GHADMP COc1cc2c(c(C[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)c1)O[C@H](C)C2 ZINC000502344950 847779950 /nfs/dbraw/zinc/77/99/50/847779950.db2.gz JJZRRZZNSCEBMM-IAGOWNOFSA-N 2 1 381.520 3.931 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733409 847788195 /nfs/dbraw/zinc/78/81/95/847788195.db2.gz QXYUMTUJSZMFAT-ZLGUVYLKSA-N 2 1 391.481 3.828 20 0 GHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783922 847820672 /nfs/dbraw/zinc/82/06/72/847820672.db2.gz LOOGRDLISFCBIK-UPVQGACJSA-N 2 1 377.532 3.628 20 0 GHADMP COc1ccc([C@H](NCCc2[nH+]ccn2Cc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422815029 847837114 /nfs/dbraw/zinc/83/71/14/847837114.db2.gz ANSORADCFCKAQJ-UPVQGACJSA-N 2 1 390.531 3.565 20 0 GHADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422877869 847865591 /nfs/dbraw/zinc/86/55/91/847865591.db2.gz SCQTUYDLYUSCGJ-UWJYYQICSA-N 2 1 390.430 3.642 20 0 GHADMP Brc1ccsc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422945987 847909733 /nfs/dbraw/zinc/90/97/33/847909733.db2.gz OBMYAJXRQVRDMF-RHSMWYFYSA-N 2 1 379.323 3.856 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611678611 847910965 /nfs/dbraw/zinc/91/09/65/847910965.db2.gz JSKARVRLASJSOB-QHCPKHFHSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422976226 847925297 /nfs/dbraw/zinc/92/52/97/847925297.db2.gz URTAZEQTCYVGCE-YADARESESA-N 2 1 386.543 3.692 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657538047 848129500 /nfs/dbraw/zinc/12/95/00/848129500.db2.gz WUAXSENOPSZTTI-NZQKXSOJSA-N 3 1 385.596 3.520 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657538047 848129505 /nfs/dbraw/zinc/12/95/05/848129505.db2.gz WUAXSENOPSZTTI-NZQKXSOJSA-N 3 1 385.596 3.520 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC23CC3)cc1 ZINC000657537802 848133285 /nfs/dbraw/zinc/13/32/85/848133285.db2.gz TWOZGJAWEDTQIX-QHCPKHFHSA-N 3 1 397.607 3.664 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC23CC3)cc1 ZINC000657537802 848133295 /nfs/dbraw/zinc/13/32/95/848133295.db2.gz TWOZGJAWEDTQIX-QHCPKHFHSA-N 3 1 397.607 3.664 20 0 GHADMP COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657593639 848283159 /nfs/dbraw/zinc/28/31/59/848283159.db2.gz AYMVWKBHNXCJJC-NRFANRHFSA-N 2 1 376.500 3.705 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000582761645 848314209 /nfs/dbraw/zinc/31/42/09/848314209.db2.gz YEPHHVZQZVXBGZ-KKSFZXQISA-N 2 1 399.502 3.885 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000657613898 848342389 /nfs/dbraw/zinc/34/23/89/848342389.db2.gz WDFVYTFSANLKOF-PXDATVDWSA-N 3 1 392.591 3.936 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000657613898 848342396 /nfs/dbraw/zinc/34/23/96/848342396.db2.gz WDFVYTFSANLKOF-PXDATVDWSA-N 3 1 392.591 3.936 20 0 GHADMP O=C(CCC1CC[NH2+]CC1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000237669340 848523825 /nfs/dbraw/zinc/52/38/25/848523825.db2.gz WCOJEXLPWZAADQ-UHFFFAOYSA-N 2 1 397.485 3.566 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000161430018 848560032 /nfs/dbraw/zinc/56/00/32/848560032.db2.gz ZXHODDVZXKEINE-CCKFTAQKSA-N 2 1 389.367 3.753 20 0 GHADMP CC(C)(C)OC(=O)N(CC1CC1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161461222 848743986 /nfs/dbraw/zinc/74/39/86/848743986.db2.gz DZYIUUZSBQIRBB-UHFFFAOYSA-N 2 1 379.589 3.974 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000472276036 848904913 /nfs/dbraw/zinc/90/49/13/848904913.db2.gz LJAWSZUDSMQIEJ-OAQYLSRUSA-N 2 1 395.547 3.725 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000472276036 848904918 /nfs/dbraw/zinc/90/49/18/848904918.db2.gz LJAWSZUDSMQIEJ-OAQYLSRUSA-N 2 1 395.547 3.725 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1F ZINC000153729905 848968390 /nfs/dbraw/zinc/96/83/90/848968390.db2.gz GOGMNJBVXDHCPS-JTSKRJEESA-N 2 1 393.510 3.715 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000583079789 849028382 /nfs/dbraw/zinc/02/83/82/849028382.db2.gz LRJGJYILEDGBPH-QFIPXVFZSA-N 2 1 382.479 3.744 20 0 GHADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000535944977 849198889 /nfs/dbraw/zinc/19/88/89/849198889.db2.gz DCMPAQRPXQQMDG-LPHOPBHVSA-N 2 1 380.458 3.920 20 0 GHADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000535944977 849198890 /nfs/dbraw/zinc/19/88/90/849198890.db2.gz DCMPAQRPXQQMDG-LPHOPBHVSA-N 2 1 380.458 3.920 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1)c1ccccc1 ZINC000248037458 849224715 /nfs/dbraw/zinc/22/47/15/849224715.db2.gz UZDKLJMOSQCZQE-FYYLOGMGSA-N 2 1 395.547 3.641 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1OCC ZINC000657751034 849622730 /nfs/dbraw/zinc/62/27/30/849622730.db2.gz NIGMDWPFKYEPCN-FQEVSTJZSA-N 2 1 376.541 3.607 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000080190593 849722787 /nfs/dbraw/zinc/72/27/87/849722787.db2.gz GOSDKXHTYYONDV-UHFFFAOYSA-N 2 1 377.536 3.574 20 0 GHADMP [NH3+]C[C@@H]([NH2+]C1CCN(Cc2ccccc2Br)CC1)C1CCCCC1 ZINC000414854765 849788033 /nfs/dbraw/zinc/78/80/33/849788033.db2.gz VKPBBRWGWGRUNV-HXUWFJFHSA-N 2 1 394.401 3.911 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)C1 ZINC000425224279 849850302 /nfs/dbraw/zinc/85/03/02/849850302.db2.gz DEUXAIBZXIQPIP-ZDUSSCGKSA-N 2 1 378.314 3.784 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000080338978 849871389 /nfs/dbraw/zinc/87/13/89/849871389.db2.gz PUCPPWDTDGYBHF-NZQKXSOJSA-N 2 1 379.548 3.666 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423471476 849938345 /nfs/dbraw/zinc/93/83/45/849938345.db2.gz MEPDPLRVDCKTRK-LZFQIVBZSA-N 2 1 399.510 3.837 20 0 GHADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000423499507 849943376 /nfs/dbraw/zinc/94/33/76/849943376.db2.gz BBCUCVJSXMQBFE-JEYLPNPQSA-N 2 1 387.902 3.808 20 0 GHADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414747372 849947581 /nfs/dbraw/zinc/94/75/81/849947581.db2.gz RTRAPOFBMQNHHS-RTBURBONSA-N 2 1 395.547 3.552 20 0 GHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)c2)CC1 ZINC000504208209 849959459 /nfs/dbraw/zinc/95/94/59/849959459.db2.gz QIHBWFVWSRCKMM-QFIPXVFZSA-N 2 1 384.568 3.563 20 0 GHADMP FC(F)(F)c1cccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)c1 ZINC000423523359 849967579 /nfs/dbraw/zinc/96/75/79/849967579.db2.gz VTGPVAIDFLWSSI-SOAGJPPSSA-N 2 1 381.486 3.963 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000711486984 850093206 /nfs/dbraw/zinc/09/32/06/850093206.db2.gz ZJNDXJXUSIDRPH-ZIBCJSCZSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000711486984 850093222 /nfs/dbraw/zinc/09/32/22/850093222.db2.gz ZJNDXJXUSIDRPH-ZIBCJSCZSA-N 2 1 387.568 3.932 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896616 850094127 /nfs/dbraw/zinc/09/41/27/850094127.db2.gz GTSLCLSGXRYATE-ISKFKSNPSA-N 2 1 391.559 3.575 20 0 GHADMP COc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c1)O[C@@H](C)C2 ZINC000415003433 850212318 /nfs/dbraw/zinc/21/23/18/850212318.db2.gz NAAGCGXQZZRMFX-WQFQCULDSA-N 2 1 384.495 3.641 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C3(CCC3)C2)cc1 ZINC000668713392 850280415 /nfs/dbraw/zinc/28/04/15/850280415.db2.gz OOLUJLMZORGVDX-QFIPXVFZSA-N 3 1 390.575 3.942 20 0 GHADMP c1ccc(CN2C[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C3(CCC3)C2)cc1 ZINC000668713392 850280420 /nfs/dbraw/zinc/28/04/20/850280420.db2.gz OOLUJLMZORGVDX-QFIPXVFZSA-N 2 1 390.575 3.942 20 0 GHADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCOCC4)C[C@H]2C1 ZINC000424348591 850378424 /nfs/dbraw/zinc/37/84/24/850378424.db2.gz LUPBDCIMVMBNHO-OEYYQIPYSA-N 2 1 398.591 3.708 20 0 GHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435375089 850423960 /nfs/dbraw/zinc/42/39/60/850423960.db2.gz ZNALFTAGODZYTI-FQEVSTJZSA-N 2 1 378.520 3.653 20 0 GHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435375089 850423968 /nfs/dbraw/zinc/42/39/68/850423968.db2.gz ZNALFTAGODZYTI-FQEVSTJZSA-N 2 1 378.520 3.653 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3cccc(Br)c3)c[nH]1)CC[NH2+]CC2 ZINC000424387985 850426511 /nfs/dbraw/zinc/42/65/11/850426511.db2.gz YTMSQJVKRTYBNV-AWEZNQCLSA-N 2 1 389.341 3.803 20 0 GHADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC(Cc3ccccc3)Cc3ccccc3)CC2)C1 ZINC000668738475 850441741 /nfs/dbraw/zinc/44/17/41/850441741.db2.gz DLHUPBDSHPESGA-RUZDIDTESA-N 2 1 378.560 3.619 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000424443379 850453809 /nfs/dbraw/zinc/45/38/09/850453809.db2.gz KAAMMUONMKCCCN-UHFFFAOYSA-N 2 1 388.462 3.518 20 0 GHADMP CCn1ccnc1C[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426887 850507674 /nfs/dbraw/zinc/50/76/74/850507674.db2.gz JUJDFNFROKHNFJ-GHTZIAJQSA-N 2 1 382.552 3.659 20 0 GHADMP Cc1cnccc1OC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000487231706 850586160 /nfs/dbraw/zinc/58/61/60/850586160.db2.gz CZGZYYLWZYUZLA-NRFANRHFSA-N 2 1 393.531 3.672 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000487231706 850586165 /nfs/dbraw/zinc/58/61/65/850586165.db2.gz CZGZYYLWZYUZLA-NRFANRHFSA-N 2 1 393.531 3.672 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000487231706 850586169 /nfs/dbraw/zinc/58/61/69/850586169.db2.gz CZGZYYLWZYUZLA-NRFANRHFSA-N 2 1 393.531 3.672 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1OCC[NH+](C)C ZINC000481720217 862151798 /nfs/dbraw/zinc/15/17/98/862151798.db2.gz FJEUEABXWZONKU-NZQKXSOJSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720217 862151807 /nfs/dbraw/zinc/15/18/07/862151807.db2.gz FJEUEABXWZONKU-NZQKXSOJSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720217 862151817 /nfs/dbraw/zinc/15/18/17/862151817.db2.gz FJEUEABXWZONKU-NZQKXSOJSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000481720217 862151829 /nfs/dbraw/zinc/15/18/29/862151829.db2.gz FJEUEABXWZONKU-NZQKXSOJSA-N 2 1 381.564 3.627 20 0 GHADMP c1ccc(-c2noc(CCC[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435618325 850705103 /nfs/dbraw/zinc/70/51/03/850705103.db2.gz QBTXUYOACJJPLE-NRFANRHFSA-N 2 1 391.519 3.709 20 0 GHADMP c1ccc(-c2noc(CCC[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000435618325 850705110 /nfs/dbraw/zinc/70/51/10/850705110.db2.gz QBTXUYOACJJPLE-NRFANRHFSA-N 2 1 391.519 3.709 20 0 GHADMP CCOc1ccc(OCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435682154 850747943 /nfs/dbraw/zinc/74/79/43/850747943.db2.gz CWLCJPNQWMFFFT-LJQANCHMSA-N 2 1 387.549 3.565 20 0 GHADMP CCOc1ccc(OCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435682154 850747948 /nfs/dbraw/zinc/74/79/48/850747948.db2.gz CWLCJPNQWMFFFT-LJQANCHMSA-N 2 1 387.549 3.565 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2Br)[C@@H](C)C1 ZINC000481738754 862163250 /nfs/dbraw/zinc/16/32/50/862163250.db2.gz FQMKRDMLCXCFAI-LPHOPBHVSA-N 2 1 383.374 3.718 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2Br)[C@@H](C)C1 ZINC000481738755 862163422 /nfs/dbraw/zinc/16/34/22/862163422.db2.gz FQMKRDMLCXCFAI-QFBILLFUSA-N 2 1 383.374 3.718 20 0 GHADMP COc1ccc(OCCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687569 850753258 /nfs/dbraw/zinc/75/32/58/850753258.db2.gz GWBGRFRGLLQRCY-LJQANCHMSA-N 2 1 387.549 3.565 20 0 GHADMP COc1ccc(OCCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435687569 850753269 /nfs/dbraw/zinc/75/32/69/850753269.db2.gz GWBGRFRGLLQRCY-LJQANCHMSA-N 2 1 387.549 3.565 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000667944806 862177008 /nfs/dbraw/zinc/17/70/08/862177008.db2.gz FDLBHXWAULLGJQ-GMAHTHKFSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000519293961 850876391 /nfs/dbraw/zinc/87/63/91/850876391.db2.gz ZHXBAHCYGDDUBS-UGKGYDQZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000519293961 850876395 /nfs/dbraw/zinc/87/63/95/850876395.db2.gz ZHXBAHCYGDDUBS-UGKGYDQZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000519293961 850876396 /nfs/dbraw/zinc/87/63/96/850876396.db2.gz ZHXBAHCYGDDUBS-UGKGYDQZSA-N 2 1 398.595 3.735 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c2ccccc12 ZINC001167966352 850934419 /nfs/dbraw/zinc/93/44/19/850934419.db2.gz ULLIGVYOQLPVCP-XQXKNUKBSA-N 2 1 395.547 3.652 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c2ccccc12 ZINC001167966352 850934428 /nfs/dbraw/zinc/93/44/28/850934428.db2.gz ULLIGVYOQLPVCP-XQXKNUKBSA-N 2 1 395.547 3.652 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000515414082 850996359 /nfs/dbraw/zinc/99/63/59/850996359.db2.gz AMIOWFSNNHSBAR-GCJKJVERSA-N 2 1 379.504 3.524 20 0 GHADMP COC(=O)[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000425429735 851059637 /nfs/dbraw/zinc/05/96/37/851059637.db2.gz ATUOHECGNCPZOA-PTUXOGIPSA-N 2 1 380.532 3.834 20 0 GHADMP COC(=O)[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000425429735 851059640 /nfs/dbraw/zinc/05/96/40/851059640.db2.gz ATUOHECGNCPZOA-PTUXOGIPSA-N 2 1 380.532 3.834 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374137 851120750 /nfs/dbraw/zinc/12/07/50/851120750.db2.gz WPGXJQFROASVRT-QFIPXVFZSA-N 2 1 377.573 3.726 20 0 GHADMP C[N@@H+](CCC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000515579898 851217240 /nfs/dbraw/zinc/21/72/40/851217240.db2.gz GUVGQYWHYQXFHY-VXKWHMMOSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000515579898 851217255 /nfs/dbraw/zinc/21/72/55/851217255.db2.gz GUVGQYWHYQXFHY-VXKWHMMOSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CCCCC1 ZINC000515579898 851217265 /nfs/dbraw/zinc/21/72/65/851217265.db2.gz GUVGQYWHYQXFHY-VXKWHMMOSA-N 2 1 383.580 3.622 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCc1ccc(F)cc1 ZINC000515759360 851441226 /nfs/dbraw/zinc/44/12/26/851441226.db2.gz SDBCLSHEVFDECH-MOPGFXCFSA-N 2 1 397.538 3.995 20 0 GHADMP Fc1ccc(F)c(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167972793 851599306 /nfs/dbraw/zinc/59/93/06/851599306.db2.gz BRAXGTWFOSWOIC-FRIKZZABSA-N 2 1 389.534 3.924 20 0 GHADMP O=C(c1ccccc1)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975765 851838355 /nfs/dbraw/zinc/83/83/55/851838355.db2.gz VOHDODBKHBQBGZ-NOTZXAQLSA-N 2 1 381.564 3.534 20 0 GHADMP COc1coc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000664835905 851860952 /nfs/dbraw/zinc/86/09/52/851860952.db2.gz HIUWHNJCDUJTET-HSZRJFAPSA-N 2 1 396.531 3.771 20 0 GHADMP COc1coc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)cc1=O ZINC000664835905 851860954 /nfs/dbraw/zinc/86/09/54/851860954.db2.gz HIUWHNJCDUJTET-HSZRJFAPSA-N 2 1 396.531 3.771 20 0 GHADMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)ccc1Br ZINC001212142105 851890130 /nfs/dbraw/zinc/89/01/30/851890130.db2.gz BOLASQNBRPNUOY-HNNXBMFYSA-N 2 1 381.318 3.976 20 0 GHADMP C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437991796 851927712 /nfs/dbraw/zinc/92/77/12/851927712.db2.gz YJSROAAMGGBYIW-UHFFFAOYSA-N 2 1 393.510 3.814 20 0 GHADMP [NH3+]CCCP(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167979178 851936062 /nfs/dbraw/zinc/93/60/62/851936062.db2.gz XOSXFJKONKOHPV-NRMJFJNESA-N 3 1 387.552 3.528 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1Br ZINC001167981729 852018533 /nfs/dbraw/zinc/01/85/33/852018533.db2.gz GYMQWFLHFYCJOT-ALOPSCKCSA-N 2 1 379.342 3.953 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)c1 ZINC000489185183 852099094 /nfs/dbraw/zinc/09/90/94/852099094.db2.gz NUNZKNNXSJFWQY-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000489185183 852099099 /nfs/dbraw/zinc/09/90/99/852099099.db2.gz NUNZKNNXSJFWQY-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000489185183 852099106 /nfs/dbraw/zinc/09/91/06/852099106.db2.gz NUNZKNNXSJFWQY-WMZHIEFXSA-N 2 1 394.563 3.601 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000517546328 852100782 /nfs/dbraw/zinc/10/07/82/852100782.db2.gz PYPBXXQYAFZCHX-PTUXOGIPSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000517546328 852100789 /nfs/dbraw/zinc/10/07/89/852100789.db2.gz PYPBXXQYAFZCHX-PTUXOGIPSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000517546328 852100797 /nfs/dbraw/zinc/10/07/97/852100797.db2.gz PYPBXXQYAFZCHX-PTUXOGIPSA-N 2 1 392.547 3.520 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000517546328 852100805 /nfs/dbraw/zinc/10/08/05/852100805.db2.gz PYPBXXQYAFZCHX-PTUXOGIPSA-N 2 1 392.547 3.520 20 0 GHADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)ccc2n1 ZINC000438188351 852118756 /nfs/dbraw/zinc/11/87/56/852118756.db2.gz IRNUNLSPPZZGDI-PKTZIBPZSA-N 2 1 375.516 3.516 20 0 GHADMP Cc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)ccc2n1 ZINC000438188351 852118765 /nfs/dbraw/zinc/11/87/65/852118765.db2.gz IRNUNLSPPZZGDI-PKTZIBPZSA-N 2 1 375.516 3.516 20 0 GHADMP C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517650887 852206397 /nfs/dbraw/zinc/20/63/97/852206397.db2.gz DAAXCODUWPZSJR-AWEZNQCLSA-N 2 1 390.940 3.606 20 0 GHADMP C[N@@H+](Cc1ccc(Cl)c2cccnc12)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425981677 852256939 /nfs/dbraw/zinc/25/69/39/852256939.db2.gz SICYQUIKJMWFRW-QHCPKHFHSA-N 2 1 395.934 3.957 20 0 GHADMP CN(Cc1ccc(Cl)c2cccnc12)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425981677 852256946 /nfs/dbraw/zinc/25/69/46/852256946.db2.gz SICYQUIKJMWFRW-QHCPKHFHSA-N 2 1 395.934 3.957 20 0 GHADMP CN(Cc1ccc(Cl)c2cccnc12)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425981677 852256954 /nfs/dbraw/zinc/25/69/54/852256954.db2.gz SICYQUIKJMWFRW-QHCPKHFHSA-N 2 1 395.934 3.957 20 0 GHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438341258 852287971 /nfs/dbraw/zinc/28/79/71/852287971.db2.gz AQUZWDASPXEPBF-IBGZPJMESA-N 2 1 392.613 3.618 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000438391882 852359102 /nfs/dbraw/zinc/35/91/02/852359102.db2.gz YNOANCMCUMPFSH-IBGZPJMESA-N 2 1 390.572 3.744 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506937441 852365595 /nfs/dbraw/zinc/36/55/95/852365595.db2.gz AJDXBIAQCXPTRV-XLIONFOSSA-N 2 1 375.582 3.684 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000506938051 852367798 /nfs/dbraw/zinc/36/77/98/852367798.db2.gz CGKZIBUIORZPMA-VQTJNVASSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1Cl ZINC000517783485 852385922 /nfs/dbraw/zinc/38/59/22/852385922.db2.gz RMJBAZWHGOGATR-QZTJIDSGSA-N 2 1 380.960 3.739 20 0 GHADMP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000489635687 852499488 /nfs/dbraw/zinc/49/94/88/852499488.db2.gz QXHSEERHAKDVIQ-LJQANCHMSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000604637544 862363231 /nfs/dbraw/zinc/36/32/31/862363231.db2.gz FONGRYWCBHKAJD-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000604637544 862363250 /nfs/dbraw/zinc/36/32/50/862363250.db2.gz FONGRYWCBHKAJD-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000604637544 862363267 /nfs/dbraw/zinc/36/32/67/862363267.db2.gz FONGRYWCBHKAJD-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000489850758 852607395 /nfs/dbraw/zinc/60/73/95/852607395.db2.gz VCJFTCTZWWDUEL-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000246733367 852625850 /nfs/dbraw/zinc/62/58/50/852625850.db2.gz NZNUOCOOBCQQJH-GOTSBHOMSA-N 2 1 377.532 3.641 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC000246733367 852625857 /nfs/dbraw/zinc/62/58/57/852625857.db2.gz NZNUOCOOBCQQJH-GOTSBHOMSA-N 2 1 377.532 3.641 20 0 GHADMP C[C@H]1[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000489956788 852672008 /nfs/dbraw/zinc/67/20/08/852672008.db2.gz NPDQEFMFEUFHNJ-SQJMNOBHSA-N 2 1 377.576 3.946 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000490119970 852778601 /nfs/dbraw/zinc/77/86/01/852778601.db2.gz XXNFEVMFYBVMHW-JOCHJYFZSA-N 2 1 383.511 3.599 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414953979 852866849 /nfs/dbraw/zinc/86/68/49/852866849.db2.gz SDJREBUEGNXWIU-ZFWWWQNUSA-N 2 1 385.346 3.867 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2cc(Br)cn2)cc1 ZINC000490283891 852896553 /nfs/dbraw/zinc/89/65/53/852896553.db2.gz FOHXVCBMOBMUFG-AWEZNQCLSA-N 2 1 388.313 3.881 20 0 GHADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC000507513436 852991528 /nfs/dbraw/zinc/99/15/28/852991528.db2.gz RNDMHBDMQUQGNY-CLAROIROSA-N 2 1 392.591 3.996 20 0 GHADMP C[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167986203 853016486 /nfs/dbraw/zinc/01/64/86/853016486.db2.gz AZFKJUUTPRVQQP-COHPWVSRSA-N 2 1 377.573 3.723 20 0 GHADMP C[NH+](C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167986203 853016491 /nfs/dbraw/zinc/01/64/91/853016491.db2.gz AZFKJUUTPRVQQP-COHPWVSRSA-N 2 1 377.573 3.723 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnnn2Cc2ccccc2)cc1 ZINC000490570577 853098136 /nfs/dbraw/zinc/09/81/36/853098136.db2.gz NTLNTONTNHQYCE-HXUWFJFHSA-N 2 1 389.547 3.991 20 0 GHADMP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000427442347 853115602 /nfs/dbraw/zinc/11/56/02/853115602.db2.gz FZGBPEDIMULMCV-QGZVFWFLSA-N 2 1 391.522 3.764 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490601452 853126321 /nfs/dbraw/zinc/12/63/21/853126321.db2.gz NBTUXNSWRZBELV-FQEVSTJZSA-N 2 1 389.547 3.991 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490601452 853126331 /nfs/dbraw/zinc/12/63/31/853126331.db2.gz NBTUXNSWRZBELV-FQEVSTJZSA-N 2 1 389.547 3.991 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc(CCCC[NH+]4CCOCC4)n3)cc2)CC1 ZINC000516996196 853242690 /nfs/dbraw/zinc/24/26/90/853242690.db2.gz MCAFHMDAPNCMCQ-UHFFFAOYSA-N 2 1 398.551 3.623 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000437582785 853298009 /nfs/dbraw/zinc/29/80/09/853298009.db2.gz NYASZUMSXVROHR-CVDCTZTESA-N 2 1 377.532 3.603 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000437582785 853298018 /nfs/dbraw/zinc/29/80/18/853298018.db2.gz NYASZUMSXVROHR-CVDCTZTESA-N 2 1 377.532 3.603 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000439207683 853404715 /nfs/dbraw/zinc/40/47/15/853404715.db2.gz DOXNFCMCMTUPHY-PKTZIBPZSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000669117766 853415601 /nfs/dbraw/zinc/41/56/01/853415601.db2.gz IXIWXQILAQZYPS-SFHVURJKSA-N 2 1 392.547 3.664 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669117764 853415622 /nfs/dbraw/zinc/41/56/22/853415622.db2.gz IANFSNWFBWQQAE-SFHVURJKSA-N 2 1 392.547 3.664 20 0 GHADMP O[C@H](COc1ccccc1Cl)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055696 853428921 /nfs/dbraw/zinc/42/89/21/853428921.db2.gz ANFNGHSHDUJAJA-OALUTQOASA-N 2 1 380.960 3.668 20 0 GHADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491055696 853428928 /nfs/dbraw/zinc/42/89/28/853428928.db2.gz ANFNGHSHDUJAJA-OALUTQOASA-N 2 1 380.960 3.668 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C(C)C)C2CCC2)[NH+]2CCCCC2)cc1 ZINC000440668060 853504135 /nfs/dbraw/zinc/50/41/35/853504135.db2.gz JVYMJJPDAKGNMP-JOCHJYFZSA-N 2 1 387.568 3.601 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604777791 862473455 /nfs/dbraw/zinc/47/34/55/862473455.db2.gz BPRKHULSSLBRPL-HXUWFJFHSA-N 2 1 376.589 3.692 20 0 GHADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000570931519 853674851 /nfs/dbraw/zinc/67/48/51/853674851.db2.gz TWZJVQBMYGNXSL-TWKWOARYSA-N 2 1 397.485 3.593 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000518726993 853688411 /nfs/dbraw/zinc/68/84/11/853688411.db2.gz GVAAJRZWNITVGN-ROUUACIJSA-N 2 1 396.531 3.529 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)O[C@@H](C)C2 ZINC000518726993 853688415 /nfs/dbraw/zinc/68/84/15/853688415.db2.gz GVAAJRZWNITVGN-ROUUACIJSA-N 2 1 396.531 3.529 20 0 GHADMP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000519974161 853704056 /nfs/dbraw/zinc/70/40/56/853704056.db2.gz HZQZIPAJGFDFAQ-IBGZPJMESA-N 2 1 388.600 3.981 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000571009386 853712206 /nfs/dbraw/zinc/71/22/06/853712206.db2.gz OIRPMAQGDOUQAP-UHFFFAOYSA-N 2 1 387.474 3.856 20 0 GHADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000518747613 853724796 /nfs/dbraw/zinc/72/47/96/853724796.db2.gz MVSRWLHVIWSMDS-HXUWFJFHSA-N 2 1 395.576 3.525 20 0 GHADMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ncc(C(F)(F)F)cc2Cl)no1 ZINC001212145601 853740013 /nfs/dbraw/zinc/74/00/13/853740013.db2.gz YGOQCPSHFCHWKY-LBPRGKRZSA-N 2 1 391.825 3.972 20 0 GHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000571465221 853885591 /nfs/dbraw/zinc/88/55/91/853885591.db2.gz CPMXONUGLJLWFX-UHFFFAOYSA-N 2 1 386.584 3.801 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(C)(C)C ZINC000604827027 862534669 /nfs/dbraw/zinc/53/46/69/862534669.db2.gz JTEFZCBXHHIFBG-FQEVSTJZSA-N 2 1 380.621 3.650 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000520378661 854147257 /nfs/dbraw/zinc/14/72/57/854147257.db2.gz MNPHZNMEJVZPRP-QFIPXVFZSA-N 2 1 399.966 3.766 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000441377585 854160558 /nfs/dbraw/zinc/16/05/58/854160558.db2.gz CFRYTFVYHREEJH-BJLQDIEVSA-N 2 1 384.568 3.574 20 0 GHADMP Brc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441403245 854199358 /nfs/dbraw/zinc/19/93/58/854199358.db2.gz KJUIEDVPKWNJSY-KXBFYZLASA-N 2 1 379.342 3.777 20 0 GHADMP Brc1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441403245 854199362 /nfs/dbraw/zinc/19/93/62/854199362.db2.gz KJUIEDVPKWNJSY-KXBFYZLASA-N 2 1 379.342 3.777 20 0 GHADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000623950044 862541887 /nfs/dbraw/zinc/54/18/87/862541887.db2.gz LNQVTHZVABVLPS-LJQANCHMSA-N 2 1 397.485 3.614 20 0 GHADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000623950044 862541889 /nfs/dbraw/zinc/54/18/89/862541889.db2.gz LNQVTHZVABVLPS-LJQANCHMSA-N 2 1 397.485 3.614 20 0 GHADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000623950044 862541896 /nfs/dbraw/zinc/54/18/96/862541896.db2.gz LNQVTHZVABVLPS-LJQANCHMSA-N 2 1 397.485 3.614 20 0 GHADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000623950044 862541905 /nfs/dbraw/zinc/54/19/05/862541905.db2.gz LNQVTHZVABVLPS-LJQANCHMSA-N 2 1 397.485 3.614 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458859750 854224899 /nfs/dbraw/zinc/22/48/99/854224899.db2.gz VHVPNGIWBGSJBA-LEWJYISDSA-N 2 1 378.605 3.549 20 0 GHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000572126020 854405075 /nfs/dbraw/zinc/40/50/75/854405075.db2.gz SSQWLEOCZDKXFS-OAQYLSRUSA-N 2 1 382.552 3.692 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000572126020 854405079 /nfs/dbraw/zinc/40/50/79/854405079.db2.gz SSQWLEOCZDKXFS-OAQYLSRUSA-N 2 1 382.552 3.692 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)C2 ZINC001167995318 854462063 /nfs/dbraw/zinc/46/20/63/854462063.db2.gz AERKVSKBEFTSFB-YOFSQIOKSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167995318 854462075 /nfs/dbraw/zinc/46/20/75/854462075.db2.gz AERKVSKBEFTSFB-YOFSQIOKSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167995318 854462084 /nfs/dbraw/zinc/46/20/84/854462084.db2.gz AERKVSKBEFTSFB-YOFSQIOKSA-N 2 1 389.584 3.725 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCCCO3)C[C@H](C)O1 ZINC000069833400 854699386 /nfs/dbraw/zinc/69/93/86/854699386.db2.gz RALYFDIZCUTTSO-KDURUIRLSA-N 2 1 396.531 3.747 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000589208312 854750560 /nfs/dbraw/zinc/75/05/60/854750560.db2.gz MLFBBPDKYNBFNH-LJQANCHMSA-N 2 1 396.579 3.945 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC[NH2+]CC2 ZINC000572750169 854961609 /nfs/dbraw/zinc/96/16/09/854961609.db2.gz XFQZPKLVGWDIPS-CYBMUJFWSA-N 2 1 380.414 3.719 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189040382 855013843 /nfs/dbraw/zinc/01/38/43/855013843.db2.gz FGASVTNVBNLJDA-UHFFFAOYSA-N 2 1 377.882 3.866 20 0 GHADMP O[C@@H](Cn1c2ccccc2c2ccccc21)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441462503 855016247 /nfs/dbraw/zinc/01/62/47/855016247.db2.gz IQUWYBBBPAAISO-NHCUHLMSSA-N 2 1 391.559 3.963 20 0 GHADMP Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001143584995 855103279 /nfs/dbraw/zinc/10/32/79/855103279.db2.gz CRACOFCFJGKTGS-JOCHJYFZSA-N 2 1 383.511 3.785 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000589992322 855234932 /nfs/dbraw/zinc/23/49/32/855234932.db2.gz LHBSVAZKDMNWMV-HSZRJFAPSA-N 2 1 379.548 3.982 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](CCc3ccccc3)C1)O[C@H](C)C2 ZINC000590798619 855592528 /nfs/dbraw/zinc/59/25/28/855592528.db2.gz LHKIVILHTBMMRE-UYAOXDASSA-N 2 1 380.532 3.673 20 0 GHADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](CCc3ccccc3)C1)O[C@H](C)C2 ZINC000590798619 855592535 /nfs/dbraw/zinc/59/25/35/855592535.db2.gz LHKIVILHTBMMRE-UYAOXDASSA-N 2 1 380.532 3.673 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C[C@@H]21 ZINC000520583208 855710662 /nfs/dbraw/zinc/71/06/62/855710662.db2.gz LYJMKTBYZBCEBC-QHAWAJNXSA-N 2 1 375.516 3.509 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3c4ccccc4CCc4ccccc43)C[C@@H]21 ZINC000520583208 855710666 /nfs/dbraw/zinc/71/06/66/855710666.db2.gz LYJMKTBYZBCEBC-QHAWAJNXSA-N 2 1 375.516 3.509 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000459116231 855753558 /nfs/dbraw/zinc/75/35/58/855753558.db2.gz UDQNSUPFQXNWSD-IBGZPJMESA-N 2 1 390.616 3.689 20 0 GHADMP O=C1NCC[C@H]1CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000520604792 855773652 /nfs/dbraw/zinc/77/36/52/855773652.db2.gz YASGCEPQUBSYJM-XZOQPEGZSA-N 2 1 383.580 3.669 20 0 GHADMP CCCN(C(=O)NC[C@@H](C)[NH+](C)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520610125 855787993 /nfs/dbraw/zinc/78/79/93/855787993.db2.gz VQOAHBWIZWRGRS-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)NC[C@@H](C)[N@H+](C)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520610125 855787996 /nfs/dbraw/zinc/78/79/96/855787996.db2.gz VQOAHBWIZWRGRS-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520610125 855787998 /nfs/dbraw/zinc/78/79/98/855787998.db2.gz VQOAHBWIZWRGRS-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N1CCc2sccc2C1 ZINC000482149086 862744798 /nfs/dbraw/zinc/74/47/98/862744798.db2.gz IGFNSMUZRRASHS-AOIWGVFYSA-N 2 1 377.598 3.512 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C[C@H]1C ZINC000674031771 862750081 /nfs/dbraw/zinc/75/00/81/862750081.db2.gz ZLNLBKYUYRMRHZ-HJNYFJLDSA-N 2 1 386.584 3.728 20 0 GHADMP CC(C)C[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc(C(F)(F)F)c1 ZINC000629552563 862753421 /nfs/dbraw/zinc/75/34/21/862753421.db2.gz MJXDOMBJMAANKU-QZTJIDSGSA-N 2 1 381.446 3.708 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474008701 856128274 /nfs/dbraw/zinc/12/82/74/856128274.db2.gz KYHYBAXOEKPHSW-YUVSOPLDSA-N 2 1 398.595 3.735 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)[C@H]1c1cccs1 ZINC000905133599 856180658 /nfs/dbraw/zinc/18/06/58/856180658.db2.gz QMOGHMAFLHJBSW-XBFCOCLRSA-N 2 1 386.430 3.669 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)[C@H]1c1cccs1 ZINC000905133599 856180661 /nfs/dbraw/zinc/18/06/61/856180661.db2.gz QMOGHMAFLHJBSW-XBFCOCLRSA-N 2 1 386.430 3.669 20 0 GHADMP COc1cc(OC)c(OC)cc1C[N@H+](CCCn1cc[nH+]c1C)C(C)(C)C ZINC000536476086 856186999 /nfs/dbraw/zinc/18/69/99/856186999.db2.gz MCMBRPGCQTZXAI-UHFFFAOYSA-N 2 1 375.513 3.908 20 0 GHADMP COc1cc(OC)c(OC)cc1C[N@@H+](CCCn1cc[nH+]c1C)C(C)(C)C ZINC000536476086 856187004 /nfs/dbraw/zinc/18/70/04/856187004.db2.gz MCMBRPGCQTZXAI-UHFFFAOYSA-N 2 1 375.513 3.908 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000459167765 856199011 /nfs/dbraw/zinc/19/90/11/856199011.db2.gz USLDOAGQDVOLDO-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCCCNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000459167765 856199025 /nfs/dbraw/zinc/19/90/25/856199025.db2.gz USLDOAGQDVOLDO-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCCCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000459167765 856199032 /nfs/dbraw/zinc/19/90/32/856199032.db2.gz USLDOAGQDVOLDO-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP COc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)o2)cc1 ZINC000060368351 856282067 /nfs/dbraw/zinc/28/20/67/856282067.db2.gz PJUYZTMJALXGGF-QZTJIDSGSA-N 2 1 399.535 3.671 20 0 GHADMP [NH3+]CCC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000669420599 856345148 /nfs/dbraw/zinc/34/51/48/856345148.db2.gz RRCOGHXSVSYVEP-GGAORHGYSA-N 2 1 394.563 3.678 20 0 GHADMP CN(C)C(=O)c1ccccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000417773130 856372187 /nfs/dbraw/zinc/37/21/87/856372187.db2.gz WDLXHKHLNWBCEE-UHFFFAOYSA-N 2 1 379.548 3.732 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397165 856443648 /nfs/dbraw/zinc/44/36/48/856443648.db2.gz RXWIZKGFFGUFJG-UMXIMWEHSA-N 2 1 396.575 3.736 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397165 856443660 /nfs/dbraw/zinc/44/36/60/856443660.db2.gz RXWIZKGFFGUFJG-UMXIMWEHSA-N 2 1 396.575 3.736 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397165 856443672 /nfs/dbraw/zinc/44/36/72/856443672.db2.gz RXWIZKGFFGUFJG-UMXIMWEHSA-N 2 1 396.575 3.736 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000485442794 856500927 /nfs/dbraw/zinc/50/09/27/856500927.db2.gz VLIZBAGYQURJJS-INIZCTEOSA-N 2 1 383.458 3.842 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc2)CC1 ZINC000485612518 856831843 /nfs/dbraw/zinc/83/18/43/856831843.db2.gz HSOKHMINWIXKEE-YTFSRNRJSA-N 2 1 398.595 3.585 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000427888018 856846659 /nfs/dbraw/zinc/84/66/59/856846659.db2.gz CIKVEPLQKAECMQ-XWGVYQGASA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000427888018 856846664 /nfs/dbraw/zinc/84/66/64/856846664.db2.gz CIKVEPLQKAECMQ-XWGVYQGASA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000427888018 856846668 /nfs/dbraw/zinc/84/66/68/856846668.db2.gz CIKVEPLQKAECMQ-XWGVYQGASA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000427888018 856846675 /nfs/dbraw/zinc/84/66/75/856846675.db2.gz CIKVEPLQKAECMQ-XWGVYQGASA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000427888018 856846680 /nfs/dbraw/zinc/84/66/80/856846680.db2.gz CIKVEPLQKAECMQ-XWGVYQGASA-N 2 1 387.612 3.768 20 0 GHADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492319 856899159 /nfs/dbraw/zinc/89/91/59/856899159.db2.gz XTSXIHOXJOTCAQ-MOPGFXCFSA-N 2 1 397.519 3.730 20 0 GHADMP C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665254167 857022937 /nfs/dbraw/zinc/02/29/37/857022937.db2.gz JECVVYKSDZIQKX-DYJHZFTCSA-N 2 1 381.539 3.771 20 0 GHADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000675194809 857089073 /nfs/dbraw/zinc/08/90/73/857089073.db2.gz RFOMRMDTXGLUCN-LADGPHEKSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)s3)c2)CCO1 ZINC000282206038 857318312 /nfs/dbraw/zinc/31/83/12/857318312.db2.gz IRCQNLZWRIRFGK-KRWDZBQOSA-N 2 1 396.560 3.659 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cnn(C)c4)s3)c2)CCO1 ZINC000282206038 857318323 /nfs/dbraw/zinc/31/83/23/857318323.db2.gz IRCQNLZWRIRFGK-KRWDZBQOSA-N 2 1 396.560 3.659 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000672457987 857362290 /nfs/dbraw/zinc/36/22/90/857362290.db2.gz ZCRQRZKWGZFSIR-OXJNMPFZSA-N 2 1 394.991 3.752 20 0 GHADMP CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)CC1CCN(c2ccccn2)CC1 ZINC000187007317 862905312 /nfs/dbraw/zinc/90/53/12/862905312.db2.gz PEDRVQOLRDZBTJ-UHFFFAOYSA-N 2 1 392.547 3.729 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000062253004 857562451 /nfs/dbraw/zinc/56/24/51/857562451.db2.gz HPBRBPLHBRHEOZ-IYBDPMFKSA-N 2 1 376.932 3.709 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)c2)cc1 ZINC000062427052 857568806 /nfs/dbraw/zinc/56/88/06/857568806.db2.gz SYZGGCKWMTUJOD-IBGZPJMESA-N 2 1 381.520 3.767 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)c2)cc1 ZINC000062427052 857568816 /nfs/dbraw/zinc/56/88/16/857568816.db2.gz SYZGGCKWMTUJOD-IBGZPJMESA-N 2 1 381.520 3.767 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)c1cccc(-n2cnnn2)c1 ZINC000675747645 857596896 /nfs/dbraw/zinc/59/68/96/857596896.db2.gz CUFKEDPYJYIEMC-RBUKOAKNSA-N 2 1 390.535 3.888 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000521134452 857646212 /nfs/dbraw/zinc/64/62/12/857646212.db2.gz GOBOZOAMXFTYJT-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000671741875 857759835 /nfs/dbraw/zinc/75/98/35/857759835.db2.gz ITZNEUJSHUPIQY-IPMKNSEASA-N 2 1 397.519 3.854 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000466018000 857830552 /nfs/dbraw/zinc/83/05/52/857830552.db2.gz PMBFLLQROJABQH-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000466018000 857830560 /nfs/dbraw/zinc/83/05/60/857830560.db2.gz PMBFLLQROJABQH-UHFFFAOYSA-N 2 1 398.551 3.585 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000066159965 857904569 /nfs/dbraw/zinc/90/45/69/857904569.db2.gz SYIWOHUTNWCFKG-HXUWFJFHSA-N 2 1 381.524 3.757 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000594099973 857936439 /nfs/dbraw/zinc/93/64/39/857936439.db2.gz TXZQYXQPVVEBKM-NFBKMPQASA-N 2 1 398.595 3.831 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1)c1ccco1 ZINC000673011398 858021577 /nfs/dbraw/zinc/02/15/77/858021577.db2.gz WBFXBBIYXKDPSA-LPHOPBHVSA-N 2 1 399.539 3.512 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000442859587 858180406 /nfs/dbraw/zinc/18/04/06/858180406.db2.gz ANWRGXCAWUSLLO-HUUCEWRRSA-N 2 1 388.383 3.765 20 0 GHADMP Cc1nc(-c2cc([C@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cs2)cs1 ZINC000442865461 858184248 /nfs/dbraw/zinc/18/42/48/858184248.db2.gz FXTKMEXTBNHFIB-AWEZNQCLSA-N 2 1 378.611 3.857 20 0 GHADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)cc(Br)c1 ZINC000442872554 858189399 /nfs/dbraw/zinc/18/93/99/858189399.db2.gz JSIGGQYPGHFZSM-QGZVFWFLSA-N 2 1 386.353 3.655 20 0 GHADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCC2 ZINC000594496100 858191113 /nfs/dbraw/zinc/19/11/13/858191113.db2.gz GYJGENXCYSLWSS-OAQYLSRUSA-N 2 1 394.519 3.516 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000066704658 858256316 /nfs/dbraw/zinc/25/63/16/858256316.db2.gz VHGZJNVXKUJEMR-HXUWFJFHSA-N 2 1 390.572 3.540 20 0 GHADMP CC(C)c1ncc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cn1 ZINC000443065656 858334294 /nfs/dbraw/zinc/33/42/94/858334294.db2.gz IFMYMQJVPLJFRQ-UHFFFAOYSA-N 2 1 381.568 3.762 20 0 GHADMP CC(C)c1ncc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cn1 ZINC000443065656 858334300 /nfs/dbraw/zinc/33/43/00/858334300.db2.gz IFMYMQJVPLJFRQ-UHFFFAOYSA-N 2 1 381.568 3.762 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1Cl ZINC000594949869 858343607 /nfs/dbraw/zinc/34/36/07/858343607.db2.gz UIGMNCXCSNYWDT-XLIONFOSSA-N 2 1 392.975 3.506 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574988935 858486010 /nfs/dbraw/zinc/48/60/10/858486010.db2.gz VRRCWSQWJRQVLW-QFIPXVFZSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000574988935 858486015 /nfs/dbraw/zinc/48/60/15/858486015.db2.gz VRRCWSQWJRQVLW-QFIPXVFZSA-N 2 1 383.580 3.810 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(Cl)ccc3N(C)C)CC2)CC1 ZINC000575069577 858512124 /nfs/dbraw/zinc/51/21/24/858512124.db2.gz BGRKDNRZPYFJSD-UHFFFAOYSA-N 2 1 392.975 3.541 20 0 GHADMP C[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463601 858529138 /nfs/dbraw/zinc/52/91/38/858529138.db2.gz XQNQAAXVNJUHQT-QWFCFKBJSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463601 858529142 /nfs/dbraw/zinc/52/91/42/858529142.db2.gz XQNQAAXVNJUHQT-QWFCFKBJSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463601 858529146 /nfs/dbraw/zinc/52/91/46/858529146.db2.gz XQNQAAXVNJUHQT-QWFCFKBJSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000785463601 858529151 /nfs/dbraw/zinc/52/91/51/858529151.db2.gz XQNQAAXVNJUHQT-QWFCFKBJSA-N 2 1 375.557 3.885 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC[C@@H]1C ZINC000522078663 858589886 /nfs/dbraw/zinc/58/98/86/858589886.db2.gz NLWOKPUAEXBORY-AJAVRQNISA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000522078663 858589890 /nfs/dbraw/zinc/58/98/90/858589890.db2.gz NLWOKPUAEXBORY-AJAVRQNISA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000522078663 858589893 /nfs/dbraw/zinc/58/98/93/858589893.db2.gz NLWOKPUAEXBORY-AJAVRQNISA-N 2 1 398.595 3.744 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000115844796 858688747 /nfs/dbraw/zinc/68/87/47/858688747.db2.gz NRTLGXOHBSCVFR-UHFFFAOYSA-N 2 1 392.563 3.541 20 0 GHADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)cc1 ZINC000595900182 858711345 /nfs/dbraw/zinc/71/13/45/858711345.db2.gz AGOMEKMPCFDQFW-LJQANCHMSA-N 2 1 399.560 3.808 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000710916535 858793263 /nfs/dbraw/zinc/79/32/63/858793263.db2.gz KWGIRODWIOVZLA-HXUWFJFHSA-N 2 1 387.568 3.744 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000710916535 858793272 /nfs/dbraw/zinc/79/32/72/858793272.db2.gz KWGIRODWIOVZLA-HXUWFJFHSA-N 2 1 387.568 3.744 20 0 GHADMP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183681441 858794518 /nfs/dbraw/zinc/79/45/18/858794518.db2.gz CKQNJPLNCXSZLA-LAUBAEHRSA-N 2 1 395.503 3.670 20 0 GHADMP [NH3+][C@H](CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000646249287 858822231 /nfs/dbraw/zinc/82/22/31/858822231.db2.gz ZPNQDVXPNUDTAZ-RBZQAINGSA-N 2 1 391.559 3.980 20 0 GHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@@H](C)C3)c1)CC2 ZINC000479355076 858980075 /nfs/dbraw/zinc/98/00/75/858980075.db2.gz GHJWBKOWJGLSNO-JTSKRJEESA-N 2 1 396.531 3.702 20 0 GHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@@H](C)C3)c1)CC2 ZINC000479355076 858980082 /nfs/dbraw/zinc/98/00/82/858980082.db2.gz GHJWBKOWJGLSNO-JTSKRJEESA-N 2 1 396.531 3.702 20 0 GHADMP CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187073190 858983766 /nfs/dbraw/zinc/98/37/66/858983766.db2.gz CGDNDBVDBCFKPA-JOCHJYFZSA-N 2 1 391.559 3.940 20 0 GHADMP CC[NH+](Cc1ccc2c(c1)CCC(=O)N2C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187073190 858983774 /nfs/dbraw/zinc/98/37/74/858983774.db2.gz CGDNDBVDBCFKPA-JOCHJYFZSA-N 2 1 391.559 3.940 20 0 GHADMP CC[NH+](Cc1ccc2c(c1)CCC(=O)N2C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187073190 858983785 /nfs/dbraw/zinc/98/37/85/858983785.db2.gz CGDNDBVDBCFKPA-JOCHJYFZSA-N 2 1 391.559 3.940 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4cnccc4c3)C2)ccn1 ZINC000856551322 881368467 /nfs/dbraw/zinc/36/84/67/881368467.db2.gz PJZVJSRZAFEUMO-HSZRJFAPSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4cnccc4c3)C2)ccn1 ZINC000856551322 881368474 /nfs/dbraw/zinc/36/84/74/881368474.db2.gz PJZVJSRZAFEUMO-HSZRJFAPSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4cnccc4c3)C2)ccn1 ZINC000856551322 881368493 /nfs/dbraw/zinc/36/84/93/881368493.db2.gz PJZVJSRZAFEUMO-HSZRJFAPSA-N 2 1 376.504 3.735 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000429688633 859008637 /nfs/dbraw/zinc/00/86/37/859008637.db2.gz CPOXMLXUOVEZII-RPBOFIJWSA-N 2 1 399.623 3.866 20 0 GHADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000429688628 859009048 /nfs/dbraw/zinc/00/90/48/859009048.db2.gz CPOXMLXUOVEZII-DQEYMECFSA-N 2 1 399.623 3.866 20 0 GHADMP CC1(C)C[N@@H+](Cc2cnc3n2CCC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000668206618 859133812 /nfs/dbraw/zinc/13/38/12/859133812.db2.gz RMWMPRMVWNQBJM-HSZRJFAPSA-N 2 1 378.564 3.952 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000483131011 859168588 /nfs/dbraw/zinc/16/85/88/859168588.db2.gz AOVQIWWXEIUKGU-HXUWFJFHSA-N 2 1 378.564 3.861 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000483141289 859176630 /nfs/dbraw/zinc/17/66/30/859176630.db2.gz HADUALQHYNWRQU-KCZVDYSFSA-N 2 1 386.584 3.603 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1cccs1 ZINC000483148692 859182640 /nfs/dbraw/zinc/18/26/40/859182640.db2.gz CUHBAJHNXNOEBW-LQWHRVPQSA-N 2 1 389.609 3.902 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1c1cccs1 ZINC000483148692 859182646 /nfs/dbraw/zinc/18/26/46/859182646.db2.gz CUHBAJHNXNOEBW-LQWHRVPQSA-N 2 1 389.609 3.902 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1c1cccs1 ZINC000483148692 859182654 /nfs/dbraw/zinc/18/26/54/859182654.db2.gz CUHBAJHNXNOEBW-LQWHRVPQSA-N 2 1 389.609 3.902 20 0 GHADMP CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856555797 881398876 /nfs/dbraw/zinc/39/88/76/881398876.db2.gz RSXCDHPYFQNYJO-HSZRJFAPSA-N 2 1 383.536 3.975 20 0 GHADMP CCCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1 ZINC000856555797 881398921 /nfs/dbraw/zinc/39/89/21/881398921.db2.gz RSXCDHPYFQNYJO-HSZRJFAPSA-N 2 1 383.536 3.975 20 0 GHADMP CCCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1 ZINC000856555797 881398975 /nfs/dbraw/zinc/39/89/75/881398975.db2.gz RSXCDHPYFQNYJO-HSZRJFAPSA-N 2 1 383.536 3.975 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429409638 859294163 /nfs/dbraw/zinc/29/41/63/859294163.db2.gz YRQPESDMQVUTSM-UHFFFAOYSA-N 2 1 390.531 3.809 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429409638 859294173 /nfs/dbraw/zinc/29/41/73/859294173.db2.gz YRQPESDMQVUTSM-UHFFFAOYSA-N 2 1 390.531 3.809 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429415000 859313528 /nfs/dbraw/zinc/31/35/28/859313528.db2.gz ZWHGLKPGRUGHRE-SDUSCBPUSA-N 2 1 399.623 3.910 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000483642779 859504948 /nfs/dbraw/zinc/50/49/48/859504948.db2.gz WPJWSJOYOKOXGL-BEFAXECRSA-N 2 1 397.485 3.689 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]1c1cccs1 ZINC000483717618 859557147 /nfs/dbraw/zinc/55/71/47/859557147.db2.gz YAEKGFGZUHZDRW-XMSQKQJNSA-N 2 1 384.593 3.780 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]1c1cccs1 ZINC000483717618 859557150 /nfs/dbraw/zinc/55/71/50/859557150.db2.gz YAEKGFGZUHZDRW-XMSQKQJNSA-N 2 1 384.593 3.780 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114642553 859792192 /nfs/dbraw/zinc/79/21/92/859792192.db2.gz OVDGHNAOXXVTSU-LJQANCHMSA-N 2 1 391.515 3.889 20 0 GHADMP COc1c[nH+]ccc1N1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000481030611 859796630 /nfs/dbraw/zinc/79/66/30/859796630.db2.gz AQQPMDDSYPLODP-UHFFFAOYSA-N 2 1 388.393 3.984 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)c(N2CCCC2)[nH+]1 ZINC000665418860 859936280 /nfs/dbraw/zinc/93/62/80/859936280.db2.gz ASAYMXQCKMXLGR-UHFFFAOYSA-N 2 1 392.547 3.906 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428865743 860065975 /nfs/dbraw/zinc/06/59/75/860065975.db2.gz WTCPUHIQXXRUOS-ILWGZMRPSA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428865743 860065986 /nfs/dbraw/zinc/06/59/86/860065986.db2.gz WTCPUHIQXXRUOS-ILWGZMRPSA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428865743 860065996 /nfs/dbraw/zinc/06/59/96/860065996.db2.gz WTCPUHIQXXRUOS-ILWGZMRPSA-N 2 1 386.584 3.603 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000765523701 860068458 /nfs/dbraw/zinc/06/84/58/860068458.db2.gz AWPXYCCURHADBY-MSYCTHLASA-N 2 1 384.568 3.968 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000765523701 860068468 /nfs/dbraw/zinc/06/84/68/860068468.db2.gz AWPXYCCURHADBY-MSYCTHLASA-N 2 1 384.568 3.968 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000727469907 860106036 /nfs/dbraw/zinc/10/60/36/860106036.db2.gz OPMLSBNRGWOYCH-ROUUACIJSA-N 2 1 393.597 3.949 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000727469907 860106044 /nfs/dbraw/zinc/10/60/44/860106044.db2.gz OPMLSBNRGWOYCH-ROUUACIJSA-N 2 1 393.597 3.949 20 0 GHADMP C[NH+](C)CCOc1ccccc1-c1noc([C@H]([NH3+])Cc2cc3ccccc3o2)n1 ZINC000904093057 860139787 /nfs/dbraw/zinc/13/97/87/860139787.db2.gz IPAWPBXPNPKMQV-GOSISDBHSA-N 2 1 392.459 3.666 20 0 GHADMP Cc1ccc(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000154634495 860210718 /nfs/dbraw/zinc/21/07/18/860210718.db2.gz NATFPEQRVDTNFN-LJQANCHMSA-N 2 1 390.572 3.712 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccnn1-c1ccccc1 ZINC000281580574 860221394 /nfs/dbraw/zinc/22/13/94/860221394.db2.gz LBRUMEXSQIAVGN-XXBNENTESA-N 2 1 390.531 3.680 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166176656 860224279 /nfs/dbraw/zinc/22/42/79/860224279.db2.gz NZNUOCOOBCQQJH-XZOQPEGZSA-N 2 1 377.532 3.641 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000166176656 860224291 /nfs/dbraw/zinc/22/42/91/860224291.db2.gz NZNUOCOOBCQQJH-XZOQPEGZSA-N 2 1 377.532 3.641 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474502758 860239511 /nfs/dbraw/zinc/23/95/11/860239511.db2.gz YCRFFKADMNLGKN-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474502758 860239524 /nfs/dbraw/zinc/23/95/24/860239524.db2.gz YCRFFKADMNLGKN-QFIPXVFZSA-N 2 1 383.511 3.558 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000534559081 860249222 /nfs/dbraw/zinc/24/92/22/860249222.db2.gz FKIHEFCXGXAKFG-UTKZUKDTSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000534559081 860249230 /nfs/dbraw/zinc/24/92/30/860249230.db2.gz FKIHEFCXGXAKFG-UTKZUKDTSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168037151 860377789 /nfs/dbraw/zinc/37/77/89/860377789.db2.gz WUOGTKDTVKQCSM-HGKCTWBKSA-N 2 1 380.458 3.977 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037151 860377794 /nfs/dbraw/zinc/37/77/94/860377794.db2.gz WUOGTKDTVKQCSM-HGKCTWBKSA-N 2 1 380.458 3.977 20 0 GHADMP C[C@H]1CC([NH2+]Cc2cnn(CC(F)(F)F)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168037154 860377941 /nfs/dbraw/zinc/37/79/41/860377941.db2.gz WUOGTKDTVKQCSM-HOTGVXAUSA-N 2 1 380.458 3.977 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCc3c(F)cccc3F)C2)ccn1 ZINC000856583911 881543636 /nfs/dbraw/zinc/54/36/36/881543636.db2.gz SWIGLKPXONNHGI-IBGZPJMESA-N 2 1 389.490 3.897 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCc3c(F)cccc3F)C2)ccn1 ZINC000856583911 881543809 /nfs/dbraw/zinc/54/38/09/881543809.db2.gz SWIGLKPXONNHGI-IBGZPJMESA-N 2 1 389.490 3.897 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCc3c(F)cccc3F)C2)ccn1 ZINC000856583911 881544117 /nfs/dbraw/zinc/54/41/17/881544117.db2.gz SWIGLKPXONNHGI-IBGZPJMESA-N 2 1 389.490 3.897 20 0 GHADMP CCOc1c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(C)nn1CC(C)C ZINC000904477702 860469965 /nfs/dbraw/zinc/46/99/65/860469965.db2.gz ZFVKHOPAGSQKRO-OFNKIYASSA-N 2 1 398.551 3.592 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)C[C@H](C)O1 ZINC000025099650 860486984 /nfs/dbraw/zinc/48/69/84/860486984.db2.gz YUUVVKCZSIKWFC-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)C[C@H](C)O1 ZINC000025099650 860486993 /nfs/dbraw/zinc/48/69/93/860486993.db2.gz YUUVVKCZSIKWFC-HDICACEKSA-N 2 1 381.520 3.610 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000904639729 860540472 /nfs/dbraw/zinc/54/04/72/860540472.db2.gz LKELKARWUIPMLE-VQTJNVASSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000904639729 860540476 /nfs/dbraw/zinc/54/04/76/860540476.db2.gz LKELKARWUIPMLE-VQTJNVASSA-N 2 1 388.462 3.769 20 0 GHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000061012142 860546648 /nfs/dbraw/zinc/54/66/48/860546648.db2.gz JCTFUEMZBWDRFX-UHFFFAOYSA-N 2 1 377.536 3.671 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccccc3OC3CC3)C2)ccn1 ZINC000856584566 881554161 /nfs/dbraw/zinc/55/41/61/881554161.db2.gz MSAGYKVPDOJZGG-JOCHJYFZSA-N 2 1 381.520 3.728 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3OC3CC3)C2)ccn1 ZINC000856584566 881554175 /nfs/dbraw/zinc/55/41/75/881554175.db2.gz MSAGYKVPDOJZGG-JOCHJYFZSA-N 2 1 381.520 3.728 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3OC3CC3)C2)ccn1 ZINC000856584566 881554194 /nfs/dbraw/zinc/55/41/94/881554194.db2.gz MSAGYKVPDOJZGG-JOCHJYFZSA-N 2 1 381.520 3.728 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)c1 ZINC000474687204 860630377 /nfs/dbraw/zinc/63/03/77/860630377.db2.gz YIPSHNRNJRCVFS-HSZRJFAPSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)c1 ZINC000474687204 860630378 /nfs/dbraw/zinc/63/03/78/860630378.db2.gz YIPSHNRNJRCVFS-HSZRJFAPSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474687204 860630385 /nfs/dbraw/zinc/63/03/85/860630385.db2.gz YIPSHNRNJRCVFS-HSZRJFAPSA-N 2 1 397.538 3.947 20 0 GHADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474687204 860630389 /nfs/dbraw/zinc/63/03/89/860630389.db2.gz YIPSHNRNJRCVFS-HSZRJFAPSA-N 2 1 397.538 3.947 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCc4cc(F)ccc4C3)CC2)cc1 ZINC001168414043 860652491 /nfs/dbraw/zinc/65/24/91/860652491.db2.gz BTKBXRZVQVWJDF-HSZRJFAPSA-N 2 1 382.523 3.988 20 0 GHADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000474729288 860686625 /nfs/dbraw/zinc/68/66/25/860686625.db2.gz FLWWAZHFIXZBCN-FQEVSTJZSA-N 2 1 378.495 3.666 20 0 GHADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000474729288 860686628 /nfs/dbraw/zinc/68/66/28/860686628.db2.gz FLWWAZHFIXZBCN-FQEVSTJZSA-N 2 1 378.495 3.666 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603882 881578271 /nfs/dbraw/zinc/57/82/71/881578271.db2.gz GAIVJOVKRAARRH-FGZHOGPDSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603882 881578278 /nfs/dbraw/zinc/57/82/78/881578278.db2.gz GAIVJOVKRAARRH-FGZHOGPDSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)ccn1 ZINC000856603882 881578289 /nfs/dbraw/zinc/57/82/89/881578289.db2.gz GAIVJOVKRAARRH-FGZHOGPDSA-N 2 1 387.568 3.867 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607154 881585340 /nfs/dbraw/zinc/58/53/40/881585340.db2.gz WXQHWINWBBJJTL-VEXUSMLFSA-N 2 1 397.563 3.540 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607154 881585351 /nfs/dbraw/zinc/58/53/51/881585351.db2.gz WXQHWINWBBJJTL-VEXUSMLFSA-N 2 1 397.563 3.540 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607154 881585356 /nfs/dbraw/zinc/58/53/56/881585356.db2.gz WXQHWINWBBJJTL-VEXUSMLFSA-N 2 1 397.563 3.540 20 0 GHADMP C[C@@H]1CN([C@@H](C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2c(F)cccc2Cl)CCO1 ZINC000623358227 860916005 /nfs/dbraw/zinc/91/60/05/860916005.db2.gz UQPGOHRHBGDCEX-GJYPPUQNSA-N 2 1 397.966 3.703 20 0 GHADMP C[C@@H]1CN([C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2c(F)cccc2Cl)CCO1 ZINC000623358227 860916014 /nfs/dbraw/zinc/91/60/14/860916014.db2.gz UQPGOHRHBGDCEX-GJYPPUQNSA-N 2 1 397.966 3.703 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3N(C)C)c2)CCO1 ZINC000623376245 860948382 /nfs/dbraw/zinc/94/83/82/860948382.db2.gz LSVRMBGMBGBFCE-MRXNPFEDSA-N 2 1 389.490 3.541 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3N(C)C)c2)CCO1 ZINC000623376245 860948397 /nfs/dbraw/zinc/94/83/97/860948397.db2.gz LSVRMBGMBGBFCE-MRXNPFEDSA-N 2 1 389.490 3.541 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000481318273 861025158 /nfs/dbraw/zinc/02/51/58/861025158.db2.gz GHLXWQRZVWXHFJ-WMZHIEFXSA-N 2 1 391.575 3.517 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000600122892 861056917 /nfs/dbraw/zinc/05/69/17/861056917.db2.gz DOHNYNSYNRDKQD-SFHVURJKSA-N 2 1 381.520 3.780 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000648054240 861059841 /nfs/dbraw/zinc/05/98/41/861059841.db2.gz ZOUXPVKULWXRJO-HSZRJFAPSA-N 2 1 376.504 3.739 20 0 GHADMP C[N@@H+](CCCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)C1CC1 ZINC000623544850 861166305 /nfs/dbraw/zinc/16/63/05/861166305.db2.gz NHJYESXQRRXECV-UHFFFAOYSA-N 2 1 383.359 3.865 20 0 GHADMP COc1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c(OCc2cccnc2)c1 ZINC000443987992 863106468 /nfs/dbraw/zinc/10/64/68/863106468.db2.gz NZPNCOMQUIXUDN-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(SC2CCCC2)cc1 ZINC000482463215 863172307 /nfs/dbraw/zinc/17/23/07/863172307.db2.gz YUQXPEBMORNBQM-QGZVFWFLSA-N 2 1 375.582 3.536 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000182444502 863230008 /nfs/dbraw/zinc/23/00/08/863230008.db2.gz LQUWWLIZHFINLI-INIZCTEOSA-N 2 1 378.476 3.869 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482592848 863357002 /nfs/dbraw/zinc/35/70/02/863357002.db2.gz SLRYXIGYXHUHJJ-YMPZKCBVSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000183152128 863488603 /nfs/dbraw/zinc/48/86/03/863488603.db2.gz WUULTMDWQXVJHV-HUUCEWRRSA-N 2 1 392.459 3.587 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000522838446 863525439 /nfs/dbraw/zinc/52/54/39/863525439.db2.gz HYPFEXFNHFLHFN-KDURUIRLSA-N 2 1 390.572 3.792 20 0 GHADMP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606691032 863782553 /nfs/dbraw/zinc/78/25/53/863782553.db2.gz WDXLXXKQZPDUPW-QHCPKHFHSA-N 2 1 398.595 3.874 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103143068 863933429 /nfs/dbraw/zinc/93/34/29/863933429.db2.gz GZEDMAALZZMMDC-IBGZPJMESA-N 2 1 397.567 3.635 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143068 863933442 /nfs/dbraw/zinc/93/34/42/863933442.db2.gz GZEDMAALZZMMDC-IBGZPJMESA-N 2 1 397.567 3.635 20 0 GHADMP CC(C)CN(CC(C)(C)C)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000475111370 864192985 /nfs/dbraw/zinc/19/29/85/864192985.db2.gz QBDUZXPMMQCSFZ-UHFFFAOYSA-N 2 1 380.621 3.650 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000475127518 864264254 /nfs/dbraw/zinc/26/42/54/864264254.db2.gz IKVKXMWPBQBKTR-UHFFFAOYSA-N 2 1 389.341 3.695 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1Oc1ccccc1 ZINC000480223196 864292154 /nfs/dbraw/zinc/29/21/54/864292154.db2.gz JWEMXCPQWQVDDN-UBFVSLLYSA-N 2 1 394.559 3.908 20 0 GHADMP Cc1cc(N2CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)cc[nH+]1 ZINC001168057019 864364483 /nfs/dbraw/zinc/36/44/83/864364483.db2.gz LMRVXFOPAHKFFF-RUMRUAAYSA-N 2 1 378.564 3.954 20 0 GHADMP CC[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCC[NH+](C)C4)c3)sc2C1 ZINC000856820937 881778143 /nfs/dbraw/zinc/77/81/43/881778143.db2.gz HOPWHNPLNGJNFH-KRWDZBQOSA-N 2 1 384.549 3.583 20 0 GHADMP CC[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCC[NH+](C)C4)c3)sc2C1 ZINC000856820937 881778161 /nfs/dbraw/zinc/77/81/61/881778161.db2.gz HOPWHNPLNGJNFH-KRWDZBQOSA-N 2 1 384.549 3.583 20 0 GHADMP CC[NH+]1CCc2nc(NC(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)sc2C1 ZINC000856820937 881778179 /nfs/dbraw/zinc/77/81/79/881778179.db2.gz HOPWHNPLNGJNFH-KRWDZBQOSA-N 2 1 384.549 3.583 20 0 GHADMP CC[NH+]1CCc2nc(NC(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)sc2C1 ZINC000856820937 881778193 /nfs/dbraw/zinc/77/81/93/881778193.db2.gz HOPWHNPLNGJNFH-KRWDZBQOSA-N 2 1 384.549 3.583 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000164249820 864602419 /nfs/dbraw/zinc/60/24/19/864602419.db2.gz DMNWWPKEMHXPNQ-CVEARBPZSA-N 2 1 398.532 3.964 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc(Br)cn2)cc1 ZINC000166682189 864748428 /nfs/dbraw/zinc/74/84/28/864748428.db2.gz HQDLJYLSIPDKIV-ZIAGYGMSSA-N 2 1 388.313 3.879 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C(C)(C)c3ccccc3)cc2)CC1 ZINC000792924785 881817748 /nfs/dbraw/zinc/81/77/48/881817748.db2.gz ITJQROOGCSFTFS-UHFFFAOYSA-N 2 1 394.563 3.634 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000608168028 865042727 /nfs/dbraw/zinc/04/27/27/865042727.db2.gz WVGKKMANEYSHPK-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000608168028 865042735 /nfs/dbraw/zinc/04/27/35/865042735.db2.gz WVGKKMANEYSHPK-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000608168028 865042740 /nfs/dbraw/zinc/04/27/40/865042740.db2.gz WVGKKMANEYSHPK-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667724145 865061229 /nfs/dbraw/zinc/06/12/29/865061229.db2.gz YVXGVHBVLVRWFC-KXBFYZLASA-N 2 1 390.890 3.752 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000667723892 865062140 /nfs/dbraw/zinc/06/21/40/865062140.db2.gz MKUQAGMWPWEBQL-RBBKRZOGSA-N 2 1 378.520 3.664 20 0 GHADMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC000554882979 865113697 /nfs/dbraw/zinc/11/36/97/865113697.db2.gz RLOUNGBVCCATOG-UHFFFAOYSA-N 2 1 381.442 3.981 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480719099 865160674 /nfs/dbraw/zinc/16/06/74/865160674.db2.gz XIDBMJXSJMCYBD-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480719099 865160677 /nfs/dbraw/zinc/16/06/77/865160677.db2.gz XIDBMJXSJMCYBD-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480719099 865160683 /nfs/dbraw/zinc/16/06/83/865160683.db2.gz XIDBMJXSJMCYBD-UNMCSNQZSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@]1(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCC[N@H+]1Cc1ccccc1 ZINC000667737978 865165378 /nfs/dbraw/zinc/16/53/78/865165378.db2.gz UJSIAOGOMFFQFF-QHCPKHFHSA-N 2 1 378.520 3.509 20 0 GHADMP CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000554935115 865170971 /nfs/dbraw/zinc/17/09/71/865170971.db2.gz MSVHLPYCASKSQM-HSZRJFAPSA-N 2 1 379.548 3.809 20 0 GHADMP Cc1nn(C)c2ncc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)cc12 ZINC000171384802 865234267 /nfs/dbraw/zinc/23/42/67/865234267.db2.gz TZXXJZGJNRIRKR-UHFFFAOYSA-N 2 1 377.536 3.621 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC000301275028 865258039 /nfs/dbraw/zinc/25/80/39/865258039.db2.gz KQXKFZLXFWPAAX-UHFFFAOYSA-N 2 1 382.895 3.792 20 0 GHADMP Cc1[nH+]c2ccc(Br)cc2c(N[C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000301399084 865336568 /nfs/dbraw/zinc/33/65/68/865336568.db2.gz OTQQHJFVNWDOBF-ZDUSSCGKSA-N 2 1 391.357 3.662 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000301469935 865379523 /nfs/dbraw/zinc/37/95/23/865379523.db2.gz OHIYWUHXKANWJD-QGZVFWFLSA-N 2 1 387.597 3.824 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CN2C[C@H](c3cccc(F)c3)CC2=O)CC1 ZINC000738066797 865477435 /nfs/dbraw/zinc/47/74/35/865477435.db2.gz FLEQATGCDABZAP-HXUWFJFHSA-N 2 1 375.532 3.543 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494547532 881894948 /nfs/dbraw/zinc/89/49/48/881894948.db2.gz KHRPRHFHYDBUQZ-QGZVFWFLSA-N 2 1 380.458 3.772 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494547532 881894962 /nfs/dbraw/zinc/89/49/62/881894962.db2.gz KHRPRHFHYDBUQZ-QGZVFWFLSA-N 2 1 380.458 3.772 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000185212255 865749689 /nfs/dbraw/zinc/74/96/89/865749689.db2.gz IDTJOXQMNQZEJP-QHCPKHFHSA-N 2 1 377.488 3.550 20 0 GHADMP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000173974411 865862561 /nfs/dbraw/zinc/86/25/61/865862561.db2.gz ORDROCUKLYHWKU-LJQANCHMSA-N 2 1 381.520 3.507 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000481164779 865905454 /nfs/dbraw/zinc/90/54/54/865905454.db2.gz ADFMWJJFIBIAEH-YJBOKZPZSA-N 2 1 391.968 3.518 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000481164779 865905464 /nfs/dbraw/zinc/90/54/64/865905464.db2.gz ADFMWJJFIBIAEH-YJBOKZPZSA-N 2 1 391.968 3.518 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000481175083 865925239 /nfs/dbraw/zinc/92/52/39/865925239.db2.gz LRPMWEYQSRHXHM-HYBUGGRVSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(Cc1ccccc1)C1CC1 ZINC000481175083 865925246 /nfs/dbraw/zinc/92/52/46/865925246.db2.gz LRPMWEYQSRHXHM-HYBUGGRVSA-N 2 1 391.559 3.678 20 0 GHADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481185918 865952913 /nfs/dbraw/zinc/95/29/13/865952913.db2.gz VLGZBQZCVLVSCE-YKSBVNFPSA-N 2 1 393.575 3.708 20 0 GHADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481185918 865952916 /nfs/dbraw/zinc/95/29/16/865952916.db2.gz VLGZBQZCVLVSCE-YKSBVNFPSA-N 2 1 393.575 3.708 20 0 GHADMP Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000508486124 866020754 /nfs/dbraw/zinc/02/07/54/866020754.db2.gz RYDHCVWNODFYON-OAQYLSRUSA-N 2 1 386.584 3.728 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000555380592 866034877 /nfs/dbraw/zinc/03/48/77/866034877.db2.gz YMQJFKIZYLIGBW-JRFVFWCSSA-N 2 1 382.523 3.716 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000555380592 866034897 /nfs/dbraw/zinc/03/48/97/866034897.db2.gz YMQJFKIZYLIGBW-JRFVFWCSSA-N 2 1 382.523 3.716 20 0 GHADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000555380592 866034911 /nfs/dbraw/zinc/03/49/11/866034911.db2.gz YMQJFKIZYLIGBW-JRFVFWCSSA-N 2 1 382.523 3.716 20 0 GHADMP CC(C)C[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000740853943 866041261 /nfs/dbraw/zinc/04/12/61/866041261.db2.gz IYUOXNOQYKWJCC-DEOSSOPVSA-N 2 1 399.579 3.599 20 0 GHADMP CC(C)C[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000740853943 866041277 /nfs/dbraw/zinc/04/12/77/866041277.db2.gz IYUOXNOQYKWJCC-DEOSSOPVSA-N 2 1 399.579 3.599 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000671308500 866139063 /nfs/dbraw/zinc/13/90/63/866139063.db2.gz CEOMWVJNWCBZRH-UHFFFAOYSA-N 2 1 389.490 3.618 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000121185464 881955370 /nfs/dbraw/zinc/95/53/70/881955370.db2.gz JGSDPKLNJPNAGA-UHFFFAOYSA-N 2 1 397.567 3.799 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C2)CC1 ZINC000639758266 866428522 /nfs/dbraw/zinc/42/85/22/866428522.db2.gz SCGXBTTZMHQLDA-UHFFFAOYSA-N 2 1 381.307 3.961 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)CCCO2 ZINC000153459203 866490611 /nfs/dbraw/zinc/49/06/11/866490611.db2.gz YKAKLBUYHMUEIV-WZONZLPQSA-N 2 1 396.531 3.919 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)CCCO2 ZINC000153459203 866490620 /nfs/dbraw/zinc/49/06/20/866490620.db2.gz YKAKLBUYHMUEIV-WZONZLPQSA-N 2 1 396.531 3.919 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000534352387 866602329 /nfs/dbraw/zinc/60/23/29/866602329.db2.gz LHUQXYABSGEZJO-GFCCVEGCSA-N 2 1 379.295 3.505 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000552999069 866605651 /nfs/dbraw/zinc/60/56/51/866605651.db2.gz UBRYNAKWYSNHME-SVMVAKDDSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000552999069 866605662 /nfs/dbraw/zinc/60/56/62/866605662.db2.gz UBRYNAKWYSNHME-SVMVAKDDSA-N 2 1 394.563 3.548 20 0 GHADMP O=C(C[N@H+](Cc1ccc2ccccc2c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000620278362 866647483 /nfs/dbraw/zinc/64/74/83/866647483.db2.gz RHXRPBPBRMJTAC-UHFFFAOYSA-N 2 1 377.532 3.547 20 0 GHADMP O=C(C[N@@H+](Cc1ccc2ccccc2c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000620278362 866647493 /nfs/dbraw/zinc/64/74/93/866647493.db2.gz RHXRPBPBRMJTAC-UHFFFAOYSA-N 2 1 377.532 3.547 20 0 GHADMP C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807172 882009834 /nfs/dbraw/zinc/00/98/34/882009834.db2.gz HMSFMPZYSLRYEU-UHFFFAOYSA-N 2 1 395.416 3.834 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000479042239 867058549 /nfs/dbraw/zinc/05/85/49/867058549.db2.gz OHUCEDOUTWGPSM-IEBWSBKVSA-N 2 1 392.613 3.552 20 0 GHADMP CCc1nc2cc(NC(=O)C3CC[NH+](C4CC[NH+](CC)CC4)CC3)ccc2o1 ZINC000553350622 867246769 /nfs/dbraw/zinc/24/67/69/867246769.db2.gz XTYWXTDPQSCNEL-UHFFFAOYSA-N 2 1 384.524 3.525 20 0 GHADMP C[C@H]1C[C@@H](C(=O)N(CC[N@@H+](C)Cc2ccccc2)Cc2ccccc2)CC[NH2+]1 ZINC000479218651 867372968 /nfs/dbraw/zinc/37/29/68/867372968.db2.gz QWIKVVBEFGKXMZ-REWPJTCUSA-N 2 1 379.548 3.535 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000154452767 867411093 /nfs/dbraw/zinc/41/10/93/867411093.db2.gz JJVBKLNHLKTUTN-NRFANRHFSA-N 2 1 397.611 3.866 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534820680 867577691 /nfs/dbraw/zinc/57/76/91/867577691.db2.gz MIQWJCUKVMLOMA-WOJBJXKFSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534820680 867577706 /nfs/dbraw/zinc/57/77/06/867577706.db2.gz MIQWJCUKVMLOMA-WOJBJXKFSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000553657281 867851597 /nfs/dbraw/zinc/85/15/97/867851597.db2.gz DCKKDGIPIQRYIH-ZYSHUDEJSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000553657281 867851608 /nfs/dbraw/zinc/85/16/08/867851608.db2.gz DCKKDGIPIQRYIH-ZYSHUDEJSA-N 2 1 380.964 3.505 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000553657281 867851614 /nfs/dbraw/zinc/85/16/14/867851614.db2.gz DCKKDGIPIQRYIH-ZYSHUDEJSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479489974 867875390 /nfs/dbraw/zinc/87/53/90/867875390.db2.gz NVXWWLSZMKRYHS-ZQAWKMMESA-N 2 1 389.543 3.703 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1Cc2ccccc2C1 ZINC000479489974 867875399 /nfs/dbraw/zinc/87/53/99/867875399.db2.gz NVXWWLSZMKRYHS-ZQAWKMMESA-N 2 1 389.543 3.703 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000553772957 868169301 /nfs/dbraw/zinc/16/93/01/868169301.db2.gz JMVZNWGCXPGXQE-TXTKFYIRSA-N 2 1 398.595 3.829 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3Cc4ccccc43)CC2)c1C ZINC000553890831 868395449 /nfs/dbraw/zinc/39/54/49/868395449.db2.gz OEZXHAOXGUCIIY-HXUWFJFHSA-N 2 1 379.548 3.943 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3Cc4ccccc43)CC2)c1C ZINC000553890831 868395469 /nfs/dbraw/zinc/39/54/69/868395469.db2.gz OEZXHAOXGUCIIY-HXUWFJFHSA-N 2 1 379.548 3.943 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000121620534 882185694 /nfs/dbraw/zinc/18/56/94/882185694.db2.gz AIFHLWPKDVLWKO-KRWDZBQOSA-N 2 1 391.519 3.803 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1 ZINC000156894579 868494663 /nfs/dbraw/zinc/49/46/63/868494663.db2.gz DLXJODPZTZDCOA-GOTSBHOMSA-N 2 1 379.548 3.933 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCSCC5)C4)[C@@H]3C2)cc1 ZINC000272611431 868510737 /nfs/dbraw/zinc/51/07/37/868510737.db2.gz WIRPPEWGGVDVLH-CBPXPLCBSA-N 2 1 386.605 3.931 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000524139879 868586766 /nfs/dbraw/zinc/58/67/66/868586766.db2.gz DLYZZDXDDIXCGG-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000524139879 868586774 /nfs/dbraw/zinc/58/67/74/868586774.db2.gz DLYZZDXDDIXCGG-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000524139879 868586783 /nfs/dbraw/zinc/58/67/83/868586783.db2.gz DLYZZDXDDIXCGG-LJQANCHMSA-N 2 1 378.605 3.547 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000554136050 868803676 /nfs/dbraw/zinc/80/36/76/868803676.db2.gz CLSJTBMDHKKRPA-FQEVSTJZSA-N 2 1 390.572 3.540 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000554136050 868803687 /nfs/dbraw/zinc/80/36/87/868803687.db2.gz CLSJTBMDHKKRPA-FQEVSTJZSA-N 2 1 390.572 3.540 20 0 GHADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000554136050 868803698 /nfs/dbraw/zinc/80/36/98/868803698.db2.gz CLSJTBMDHKKRPA-FQEVSTJZSA-N 2 1 390.572 3.540 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1Cl ZINC000524372260 868997806 /nfs/dbraw/zinc/99/78/06/868997806.db2.gz QTDAKFFFFNIGPL-HXUWFJFHSA-N 2 1 394.991 3.849 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[N@@H+]1C ZINC000394557114 882253943 /nfs/dbraw/zinc/25/39/43/882253943.db2.gz HJGFTUDFWOEEIS-YGRLFVJLSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[N@H+]1C ZINC000394557114 882253950 /nfs/dbraw/zinc/25/39/50/882253950.db2.gz HJGFTUDFWOEEIS-YGRLFVJLSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628830 869111448 /nfs/dbraw/zinc/11/14/48/869111448.db2.gz OCRNBHJLGZKGDD-NLWGTHIKSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379628830 869111451 /nfs/dbraw/zinc/11/14/51/869111451.db2.gz OCRNBHJLGZKGDD-NLWGTHIKSA-N 2 1 375.557 3.790 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC[C@H]3CCCc3ccccc3)cn2)CC1 ZINC000539896545 869983542 /nfs/dbraw/zinc/98/35/42/869983542.db2.gz XBDMOAYHTVSVRF-QHCPKHFHSA-N 2 1 393.579 3.606 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC[C@H]3CCCc3ccccc3)cn2)CC1 ZINC000539896545 869983547 /nfs/dbraw/zinc/98/35/47/869983547.db2.gz XBDMOAYHTVSVRF-QHCPKHFHSA-N 2 1 393.579 3.606 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539898619 869986016 /nfs/dbraw/zinc/98/60/16/869986016.db2.gz YRNBEPILZWEMPU-OEMFJLHTSA-N 2 1 396.579 3.540 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000539898619 869986024 /nfs/dbraw/zinc/98/60/24/869986024.db2.gz YRNBEPILZWEMPU-OEMFJLHTSA-N 2 1 396.579 3.540 20 0 GHADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000539910136 870009391 /nfs/dbraw/zinc/00/93/91/870009391.db2.gz VSZOTSQZJJYDCE-HSZRJFAPSA-N 2 1 377.532 3.928 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000446587634 870065439 /nfs/dbraw/zinc/06/54/39/870065439.db2.gz UXMUVRDDVAQFIX-UHFFFAOYSA-N 2 1 394.563 3.919 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[C@@H](c2ccccc2)C1 ZINC000462791209 870086094 /nfs/dbraw/zinc/08/60/94/870086094.db2.gz RKFVHDNQLAHWMY-OLKYXYMISA-N 2 1 385.596 3.550 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191181932 882379052 /nfs/dbraw/zinc/37/90/52/882379052.db2.gz SNSKFWXSPBXIAG-LJQANCHMSA-N 2 1 397.611 3.935 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000469989712 870243542 /nfs/dbraw/zinc/24/35/42/870243542.db2.gz DIGPDLNXUIVZNS-ZFWWWQNUSA-N 2 1 377.330 3.502 20 0 GHADMP CC(C)C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccn1 ZINC000248069066 870278060 /nfs/dbraw/zinc/27/80/60/870278060.db2.gz MLEGIVMKWXMHKA-GGAORHGYSA-N 2 1 394.563 3.656 20 0 GHADMP CN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(c1ccccc1)c1ccccc1 ZINC000248168111 870307296 /nfs/dbraw/zinc/30/72/96/870307296.db2.gz UEWGZYQMGVTZMO-XZOQPEGZSA-N 2 1 391.559 3.651 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000122092637 882398338 /nfs/dbraw/zinc/39/83/38/882398338.db2.gz UKCXMNBDGQOGIC-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000122092637 882398344 /nfs/dbraw/zinc/39/83/44/882398344.db2.gz UKCXMNBDGQOGIC-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390646 870361126 /nfs/dbraw/zinc/36/11/26/870361126.db2.gz BMUUTCXHUFZSOH-IEIRFRATSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390646 870361135 /nfs/dbraw/zinc/36/11/35/870361135.db2.gz BMUUTCXHUFZSOH-IEIRFRATSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390646 870361147 /nfs/dbraw/zinc/36/11/47/870361147.db2.gz BMUUTCXHUFZSOH-IEIRFRATSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000248393684 870363534 /nfs/dbraw/zinc/36/35/34/870363534.db2.gz GZULZJUELVEQLD-HWWDLCQESA-N 2 1 380.458 3.685 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000248393684 870363537 /nfs/dbraw/zinc/36/35/37/870363537.db2.gz GZULZJUELVEQLD-HWWDLCQESA-N 2 1 380.458 3.685 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)c1 ZINC000248406529 870383811 /nfs/dbraw/zinc/38/38/11/870383811.db2.gz SMCTVVOOCVOCOF-RXVVDRJESA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248406529 870383828 /nfs/dbraw/zinc/38/38/28/870383828.db2.gz SMCTVVOOCVOCOF-RXVVDRJESA-N 2 1 386.584 3.591 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248406529 870383846 /nfs/dbraw/zinc/38/38/46/870383846.db2.gz SMCTVVOOCVOCOF-RXVVDRJESA-N 2 1 386.584 3.591 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000538718582 870408522 /nfs/dbraw/zinc/40/85/22/870408522.db2.gz AOTLMLVWRDKUNU-RXVVDRJESA-N 2 1 383.536 3.974 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000538718582 870408530 /nfs/dbraw/zinc/40/85/30/870408530.db2.gz AOTLMLVWRDKUNU-RXVVDRJESA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000538718582 870408548 /nfs/dbraw/zinc/40/85/48/870408548.db2.gz AOTLMLVWRDKUNU-RXVVDRJESA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccncc3)c(OC)c2)C[C@@H]1C ZINC000538718582 870408554 /nfs/dbraw/zinc/40/85/54/870408554.db2.gz AOTLMLVWRDKUNU-RXVVDRJESA-N 2 1 383.536 3.974 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248461923 870440620 /nfs/dbraw/zinc/44/06/20/870440620.db2.gz XXYPXLYFPMQMKO-URXFXBBRSA-N 2 1 380.532 3.819 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000462944737 870478769 /nfs/dbraw/zinc/47/87/69/870478769.db2.gz KKDBCDSOJGOGSS-CRAIPNDOSA-N 2 1 378.451 3.776 20 0 GHADMP CCCC[C@H](N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000248561884 870494211 /nfs/dbraw/zinc/49/42/11/870494211.db2.gz JQKAARJTTZUKQR-AOIWGVFYSA-N 2 1 376.545 3.723 20 0 GHADMP CCCC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000248561884 870494220 /nfs/dbraw/zinc/49/42/20/870494220.db2.gz JQKAARJTTZUKQR-AOIWGVFYSA-N 2 1 376.545 3.723 20 0 GHADMP CCCC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cc(C)on1 ZINC000248561884 870494228 /nfs/dbraw/zinc/49/42/28/870494228.db2.gz JQKAARJTTZUKQR-AOIWGVFYSA-N 2 1 376.545 3.723 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000122112033 882419359 /nfs/dbraw/zinc/41/93/59/882419359.db2.gz XPVSGIAYHHZUFF-RTBURBONSA-N 2 1 382.552 3.669 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1SC ZINC000525375107 870574199 /nfs/dbraw/zinc/57/41/99/870574199.db2.gz IPAFBEYDGDIXHS-INIZCTEOSA-N 2 1 399.004 3.942 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000540166954 870649506 /nfs/dbraw/zinc/64/95/06/870649506.db2.gz GRPSZPLNQUJNKS-UONOGXRCSA-N 2 1 382.430 3.853 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000248830426 870655813 /nfs/dbraw/zinc/65/58/13/870655813.db2.gz FAYRPRPXFZFBLL-HNAYVOBHSA-N 2 1 387.574 3.834 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000248830426 870655823 /nfs/dbraw/zinc/65/58/23/870655823.db2.gz FAYRPRPXFZFBLL-HNAYVOBHSA-N 2 1 387.574 3.834 20 0 GHADMP C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775550802 870720884 /nfs/dbraw/zinc/72/08/84/870720884.db2.gz BLAXVCKPOMVKDW-ICSRJNTNSA-N 2 1 387.568 3.934 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000448474011 870760624 /nfs/dbraw/zinc/76/06/24/870760624.db2.gz UVRQWFRSMDHVHL-FGZHOGPDSA-N 2 1 392.632 3.508 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H]4C[C@H](C)N(C(=O)OC(C)(C)C)C4)C[C@@H]3C2)cc1 ZINC001168857208 870910174 /nfs/dbraw/zinc/91/01/74/870910174.db2.gz NEKLKVTWLFTPMO-VXSCBNMQSA-N 2 1 399.579 3.757 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H]4C[C@H](C)N(C(=O)OC(C)(C)C)C4)C[C@@H]3C2)cc1 ZINC001168857208 870910181 /nfs/dbraw/zinc/91/01/81/870910181.db2.gz NEKLKVTWLFTPMO-VXSCBNMQSA-N 2 1 399.579 3.757 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249908873 870925112 /nfs/dbraw/zinc/92/51/12/870925112.db2.gz VLXQBAUSTGVOIY-IXDOHACOSA-N 2 1 377.960 3.682 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463129485 870941607 /nfs/dbraw/zinc/94/16/07/870941607.db2.gz CVSIQGLVHYJYPO-REWPJTCUSA-N 3 1 381.564 3.770 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000463129485 870941910 /nfs/dbraw/zinc/94/19/10/870941910.db2.gz CVSIQGLVHYJYPO-REWPJTCUSA-N 2 1 381.564 3.770 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000538945157 870953144 /nfs/dbraw/zinc/95/31/44/870953144.db2.gz LAQYUNMJZUOSCD-UHFFFAOYSA-N 2 1 384.499 3.706 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463188957 871129777 /nfs/dbraw/zinc/12/97/77/871129777.db2.gz GLKGMCRBQJVASB-PTUXOGIPSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463188957 871129795 /nfs/dbraw/zinc/12/97/95/871129795.db2.gz GLKGMCRBQJVASB-PTUXOGIPSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)C1 ZINC000539052268 871183929 /nfs/dbraw/zinc/18/39/29/871183929.db2.gz GQBNURGUAQBEEW-SJORKVTESA-N 2 1 375.948 3.939 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)C1 ZINC000539052268 871183933 /nfs/dbraw/zinc/18/39/33/871183933.db2.gz GQBNURGUAQBEEW-SJORKVTESA-N 2 1 375.948 3.939 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@](C)(O)c1ccc(OCc3ccccc3)cc1)C2 ZINC001169120229 871209884 /nfs/dbraw/zinc/20/98/84/871209884.db2.gz ZUGIAVBGXNQNEO-PIATZUFCSA-N 2 1 380.532 3.688 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128003 871217876 /nfs/dbraw/zinc/21/78/76/871217876.db2.gz BCZDVOMCIRZBCB-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128003 871217894 /nfs/dbraw/zinc/21/78/94/871217894.db2.gz BCZDVOMCIRZBCB-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128003 871217914 /nfs/dbraw/zinc/21/79/14/871217914.db2.gz BCZDVOMCIRZBCB-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@]13CCCN(C(=O)OC(C)(C)C)C3)C2 ZINC001169128003 871217935 /nfs/dbraw/zinc/21/79/35/871217935.db2.gz BCZDVOMCIRZBCB-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129517 871219501 /nfs/dbraw/zinc/21/95/01/871219501.db2.gz ITZPEEAPHAROAM-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129517 871219519 /nfs/dbraw/zinc/21/95/19/871219519.db2.gz ITZPEEAPHAROAM-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129517 871219530 /nfs/dbraw/zinc/21/95/30/871219530.db2.gz ITZPEEAPHAROAM-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@]13CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169129517 871219544 /nfs/dbraw/zinc/21/95/44/871219544.db2.gz ITZPEEAPHAROAM-JYLXEMOASA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169109369 871235208 /nfs/dbraw/zinc/23/52/08/871235208.db2.gz BHJGVRIBXYZWSJ-ACDBMABISA-N 2 1 381.486 3.885 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461909125 871241370 /nfs/dbraw/zinc/24/13/70/871241370.db2.gz SUCPWDOLMFIUHP-SFHVURJKSA-N 2 1 396.535 3.575 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461909125 871241383 /nfs/dbraw/zinc/24/13/83/871241383.db2.gz SUCPWDOLMFIUHP-SFHVURJKSA-N 2 1 396.535 3.575 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000539070602 871254182 /nfs/dbraw/zinc/25/41/82/871254182.db2.gz IGXWFEPULUVNFT-WZONZLPQSA-N 2 1 381.520 3.524 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000539070602 871254295 /nfs/dbraw/zinc/25/42/95/871254295.db2.gz IGXWFEPULUVNFT-WZONZLPQSA-N 2 1 381.520 3.524 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169154193 871266883 /nfs/dbraw/zinc/26/68/83/871266883.db2.gz NXMAQHLQVAQTMK-PMOLBWCYSA-N 2 1 381.486 3.885 20 0 GHADMP O=C1[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCN1c1c(F)cccc1F ZINC000447266793 871289491 /nfs/dbraw/zinc/28/94/91/871289491.db2.gz YEOYIXSBKUCMGJ-NRFANRHFSA-N 2 1 399.485 3.846 20 0 GHADMP C[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H]1c1ccccc1 ZINC000463284181 871329858 /nfs/dbraw/zinc/32/98/58/871329858.db2.gz VFKDTSVCWVJRNT-RPWUZVMVSA-N 2 1 381.539 3.868 20 0 GHADMP C[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000463284180 871330678 /nfs/dbraw/zinc/33/06/78/871330678.db2.gz VFKDTSVCWVJRNT-DNQXCXABSA-N 2 1 381.539 3.868 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)nc1 ZINC000447313283 871358044 /nfs/dbraw/zinc/35/80/44/871358044.db2.gz QOGVWYCEOGFPJU-FCHUYYIVSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000447313283 871358063 /nfs/dbraw/zinc/35/80/63/871358063.db2.gz QOGVWYCEOGFPJU-FCHUYYIVSA-N 2 1 392.547 3.705 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000447313283 871358082 /nfs/dbraw/zinc/35/80/82/871358082.db2.gz QOGVWYCEOGFPJU-FCHUYYIVSA-N 2 1 392.547 3.705 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C4CCCCC4)C3)CC2)CC1 ZINC000618186559 871392693 /nfs/dbraw/zinc/39/26/93/871392693.db2.gz OHQZSNRZHGUETL-NRFANRHFSA-N 2 1 375.601 3.612 20 0 GHADMP CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC001193977468 871414282 /nfs/dbraw/zinc/41/42/82/871414282.db2.gz RKSKFVKEMYRDNT-NRFANRHFSA-N 2 1 379.976 3.960 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000122333388 882511419 /nfs/dbraw/zinc/51/14/19/882511419.db2.gz ASTUZFULHYJFFM-UHFFFAOYSA-N 2 1 399.554 3.563 20 0 GHADMP OC[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000552034574 871659203 /nfs/dbraw/zinc/65/92/03/871659203.db2.gz GUSOGJWRXWUCAM-NEUULRRLSA-N 2 1 382.548 3.711 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169713468 871801743 /nfs/dbraw/zinc/80/17/43/871801743.db2.gz NTKPNLRKUWRWJY-VJBWXMMDSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169713468 871801749 /nfs/dbraw/zinc/80/17/49/871801749.db2.gz NTKPNLRKUWRWJY-VJBWXMMDSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)CC1 ZINC001169713468 871801766 /nfs/dbraw/zinc/80/17/66/871801766.db2.gz NTKPNLRKUWRWJY-VJBWXMMDSA-N 2 1 399.579 3.841 20 0 GHADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCC2 ZINC000447543296 871813778 /nfs/dbraw/zinc/81/37/78/871813778.db2.gz RLXPCSBZVGMNPV-SOLBZPMBSA-N 2 1 392.540 3.621 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cc(C)cc(C)c2)cc1 ZINC000539362442 871831002 /nfs/dbraw/zinc/83/10/02/871831002.db2.gz QRQDIXWCPCCMMQ-XMSQKQJNSA-N 2 1 379.504 3.888 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc2c(c1)CCCC2 ZINC001169781728 871872424 /nfs/dbraw/zinc/87/24/24/871872424.db2.gz URYSQHOCKVOYIU-UXHICEINSA-N 2 1 397.607 3.939 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071474 871979651 /nfs/dbraw/zinc/97/96/51/871979651.db2.gz HRQOHFWHRTXUMO-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071474 871979656 /nfs/dbraw/zinc/97/96/56/871979656.db2.gz HRQOHFWHRTXUMO-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071474 871979661 /nfs/dbraw/zinc/97/96/61/871979661.db2.gz HRQOHFWHRTXUMO-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1C ZINC000552071474 871979665 /nfs/dbraw/zinc/97/96/65/871979665.db2.gz HRQOHFWHRTXUMO-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3C[C@@H](c4ccccc4)C3(C)C)cc2)CC1 ZINC000463554123 872019067 /nfs/dbraw/zinc/01/90/67/872019067.db2.gz XUOZLYCEGMDKHC-XZOQPEGZSA-N 2 1 391.559 3.746 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000122473391 882570492 /nfs/dbraw/zinc/57/04/92/882570492.db2.gz JUHQPGJRXWPYHY-QFBILLFUSA-N 2 1 381.524 3.558 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000122473391 882570506 /nfs/dbraw/zinc/57/05/06/882570506.db2.gz JUHQPGJRXWPYHY-QFBILLFUSA-N 2 1 381.524 3.558 20 0 GHADMP FC(F)(F)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169960779 872055577 /nfs/dbraw/zinc/05/55/77/872055577.db2.gz CEQOTAZOQUBLDO-IBGZPJMESA-N 2 1 398.469 3.945 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000093318515 872068494 /nfs/dbraw/zinc/06/84/94/872068494.db2.gz BVMJGBXAVPUWBQ-AUSIDOKSSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000093318515 872068516 /nfs/dbraw/zinc/06/85/16/872068516.db2.gz BVMJGBXAVPUWBQ-AUSIDOKSSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000093318515 872068531 /nfs/dbraw/zinc/06/85/31/872068531.db2.gz BVMJGBXAVPUWBQ-AUSIDOKSSA-N 2 1 375.520 3.752 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC[NH+]1Cc1ccccc1 ZINC000093318515 872068553 /nfs/dbraw/zinc/06/85/53/872068553.db2.gz BVMJGBXAVPUWBQ-AUSIDOKSSA-N 2 1 375.520 3.752 20 0 GHADMP c1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000093597545 872286193 /nfs/dbraw/zinc/28/61/93/872286193.db2.gz QYJLOOPHYHRYPK-HXUWFJFHSA-N 2 1 387.531 3.852 20 0 GHADMP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000093597545 872286212 /nfs/dbraw/zinc/28/62/12/872286212.db2.gz QYJLOOPHYHRYPK-HXUWFJFHSA-N 2 1 387.531 3.852 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835786 872374802 /nfs/dbraw/zinc/37/48/02/872374802.db2.gz ZWSQLOJHSFOLCD-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[NH+]1Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835786 872374819 /nfs/dbraw/zinc/37/48/19/872374819.db2.gz ZWSQLOJHSFOLCD-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[NH+]1Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000447835786 872374837 /nfs/dbraw/zinc/37/48/37/872374837.db2.gz ZWSQLOJHSFOLCD-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000540982695 872670237 /nfs/dbraw/zinc/67/02/37/872670237.db2.gz DNEITSWUATVGID-QRQLOZEOSA-N 2 1 399.485 3.713 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000540982695 872670250 /nfs/dbraw/zinc/67/02/50/872670250.db2.gz DNEITSWUATVGID-QRQLOZEOSA-N 2 1 399.485 3.713 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000478283519 872799752 /nfs/dbraw/zinc/79/97/52/872799752.db2.gz HIKMCGSPROQOLZ-ZMYBRWDISA-N 2 1 381.511 3.772 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000478283519 872799758 /nfs/dbraw/zinc/79/97/58/872799758.db2.gz HIKMCGSPROQOLZ-ZMYBRWDISA-N 2 1 381.511 3.772 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000152748494 872826719 /nfs/dbraw/zinc/82/67/19/872826719.db2.gz JWKBMSJCECOPKN-JEWRLFTDSA-N 2 1 380.374 3.594 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000527233029 872886993 /nfs/dbraw/zinc/88/69/93/872886993.db2.gz BDMDTSRPEYPYDG-PXNSSMCTSA-N 2 1 395.572 3.990 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000448152294 872963366 /nfs/dbraw/zinc/96/33/66/872963366.db2.gz XNUPWEMSQLQJHJ-OXJNMPFZSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000448152294 872963369 /nfs/dbraw/zinc/96/33/69/872963369.db2.gz XNUPWEMSQLQJHJ-OXJNMPFZSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cnn1C(C)(C)C ZINC000527292440 872967306 /nfs/dbraw/zinc/96/73/06/872967306.db2.gz FKPCBSOEMWSSAX-APWZRJJASA-N 2 1 389.613 3.647 20 0 GHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262251258 873077514 /nfs/dbraw/zinc/07/75/14/873077514.db2.gz QBZPQTJGFPYIJM-QWQRMKEZSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262251258 873077524 /nfs/dbraw/zinc/07/75/24/873077524.db2.gz QBZPQTJGFPYIJM-QWQRMKEZSA-N 2 1 384.351 3.635 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502772 873341983 /nfs/dbraw/zinc/34/19/83/873341983.db2.gz POEUFSZIOIBHNV-FGZHOGPDSA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502772 873341996 /nfs/dbraw/zinc/34/19/96/873341996.db2.gz POEUFSZIOIBHNV-FGZHOGPDSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502772 873342010 /nfs/dbraw/zinc/34/20/10/873342010.db2.gz POEUFSZIOIBHNV-FGZHOGPDSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502772 873342028 /nfs/dbraw/zinc/34/20/28/873342028.db2.gz POEUFSZIOIBHNV-FGZHOGPDSA-N 2 1 390.531 3.989 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)N(C)C)C1 ZINC000448464795 873418786 /nfs/dbraw/zinc/41/87/86/873418786.db2.gz GBIVCGZBRDIQHO-YLJYHZDGSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000448464795 873418792 /nfs/dbraw/zinc/41/87/92/873418792.db2.gz GBIVCGZBRDIQHO-YLJYHZDGSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000448464795 873418796 /nfs/dbraw/zinc/41/87/96/873418796.db2.gz GBIVCGZBRDIQHO-YLJYHZDGSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)C1 ZINC000448464794 873419169 /nfs/dbraw/zinc/41/91/69/873419169.db2.gz GBIVCGZBRDIQHO-XLIONFOSSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000448464794 873419176 /nfs/dbraw/zinc/41/91/76/873419176.db2.gz GBIVCGZBRDIQHO-XLIONFOSSA-N 2 1 394.991 3.610 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000448464794 873419180 /nfs/dbraw/zinc/41/91/80/873419180.db2.gz GBIVCGZBRDIQHO-XLIONFOSSA-N 2 1 394.991 3.610 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)[C@@H](C)C1 ZINC000448466270 873424230 /nfs/dbraw/zinc/42/42/30/873424230.db2.gz LYZPIEKBVBWZRU-PMACEKPBSA-N 2 1 378.605 3.547 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000448473781 873441303 /nfs/dbraw/zinc/44/13/03/873441303.db2.gz UBLDZTTZVFPRBK-BDTNDASRSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000448473781 873441310 /nfs/dbraw/zinc/44/13/10/873441310.db2.gz UBLDZTTZVFPRBK-BDTNDASRSA-N 2 1 392.632 3.650 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000448473781 873441316 /nfs/dbraw/zinc/44/13/16/873441316.db2.gz UBLDZTTZVFPRBK-BDTNDASRSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527655064 873450482 /nfs/dbraw/zinc/45/04/82/873450482.db2.gz XUAOOAZASWEPDR-NSHDSACASA-N 2 1 394.342 3.832 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000448551154 873564648 /nfs/dbraw/zinc/56/46/48/873564648.db2.gz GLMHHLRHJGCTTO-LRDDRELGSA-N 2 1 395.391 3.765 20 0 GHADMP C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000448551154 873564656 /nfs/dbraw/zinc/56/46/56/873564656.db2.gz GLMHHLRHJGCTTO-LRDDRELGSA-N 2 1 395.391 3.765 20 0 GHADMP Cc1cccc([C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C(C)C)c1 ZINC000527853014 873670763 /nfs/dbraw/zinc/67/07/63/873670763.db2.gz SBPMLSXBIMQZLF-QHCPKHFHSA-N 2 1 379.548 3.870 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000541523846 873771046 /nfs/dbraw/zinc/77/10/46/873771046.db2.gz HZYWRIQCXSZBFV-ICSRJNTNSA-N 2 1 386.584 3.874 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cccn1 ZINC000527940920 873784648 /nfs/dbraw/zinc/78/46/48/873784648.db2.gz WXBRVQPMPIEIAF-RDGPPVDQSA-N 2 1 378.442 3.772 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cccn1 ZINC000527940920 873784657 /nfs/dbraw/zinc/78/46/57/873784657.db2.gz WXBRVQPMPIEIAF-RDGPPVDQSA-N 2 1 378.442 3.772 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000541542368 873800729 /nfs/dbraw/zinc/80/07/29/873800729.db2.gz TUXRGSWDLKHBRJ-XQBPLPMBSA-N 2 1 396.531 3.800 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000541542368 873800740 /nfs/dbraw/zinc/80/07/40/873800740.db2.gz TUXRGSWDLKHBRJ-XQBPLPMBSA-N 2 1 396.531 3.800 20 0 GHADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000448767998 873910194 /nfs/dbraw/zinc/91/01/94/873910194.db2.gz PFSVVCHAXLHMOL-GCJKJVERSA-N 2 1 389.503 3.565 20 0 GHADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000448767998 873910204 /nfs/dbraw/zinc/91/02/04/873910204.db2.gz PFSVVCHAXLHMOL-GCJKJVERSA-N 2 1 389.503 3.565 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666091036 882827059 /nfs/dbraw/zinc/82/70/59/882827059.db2.gz KVHBLLYGPJRILM-JTAQYXEDSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666091036 882827079 /nfs/dbraw/zinc/82/70/79/882827079.db2.gz KVHBLLYGPJRILM-JTAQYXEDSA-N 2 1 384.951 3.670 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464782593 874487337 /nfs/dbraw/zinc/48/73/37/874487337.db2.gz YLEYTVBWWPNWJT-PZJWPPBQSA-N 2 1 376.585 3.696 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464782593 874487344 /nfs/dbraw/zinc/48/73/44/874487344.db2.gz YLEYTVBWWPNWJT-PZJWPPBQSA-N 2 1 376.585 3.696 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000449210596 874589390 /nfs/dbraw/zinc/58/93/90/874589390.db2.gz WIBFNLURATWBNJ-DVECYGJZSA-N 2 1 382.548 3.804 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000449210595 874589510 /nfs/dbraw/zinc/58/95/10/874589510.db2.gz WIBFNLURATWBNJ-CYFREDJKSA-N 2 1 382.548 3.804 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000770322289 874597278 /nfs/dbraw/zinc/59/72/78/874597278.db2.gz BZLSSCMUHWJENE-GGAORHGYSA-N 2 1 386.511 3.854 20 0 GHADMP C[C@@H]1CC[C@]2(CC[N@@H+](CC(=O)Nc3cccc(C[NH+]4CCSCC4)c3)C2)C1 ZINC000541952713 874622198 /nfs/dbraw/zinc/62/21/98/874622198.db2.gz VZENDUVYHSLPOL-GCJKJVERSA-N 2 1 387.593 3.686 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000134316128 882848932 /nfs/dbraw/zinc/84/89/32/882848932.db2.gz XVEAXHFIRDZVCR-GOSISDBHSA-N 2 1 398.364 3.583 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000122978871 882860940 /nfs/dbraw/zinc/86/09/40/882860940.db2.gz FHZXTTBCIVUAFM-GMAHTHKFSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC4(C[C@H]3F)OCCO4)cc2)C1 ZINC001199265571 874882653 /nfs/dbraw/zinc/88/26/53/874882653.db2.gz BWRHSWHHFVQXTO-UIFIKXQLSA-N 2 1 376.516 3.642 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528705337 874933004 /nfs/dbraw/zinc/93/30/04/874933004.db2.gz UFKIJJUWBVOOIS-YTFSRNRJSA-N 2 1 385.596 3.581 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528705337 874933015 /nfs/dbraw/zinc/93/30/15/874933015.db2.gz UFKIJJUWBVOOIS-YTFSRNRJSA-N 2 1 385.596 3.581 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528705337 874933026 /nfs/dbraw/zinc/93/30/26/874933026.db2.gz UFKIJJUWBVOOIS-YTFSRNRJSA-N 2 1 385.596 3.581 20 0 GHADMP CCC[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494296 874951228 /nfs/dbraw/zinc/95/12/28/874951228.db2.gz GPPSVSCBEDZSBR-ISKFKSNPSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494296 874951240 /nfs/dbraw/zinc/95/12/40/874951240.db2.gz GPPSVSCBEDZSBR-ISKFKSNPSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494296 874951250 /nfs/dbraw/zinc/95/12/50/874951250.db2.gz GPPSVSCBEDZSBR-ISKFKSNPSA-N 2 1 385.596 3.837 20 0 GHADMP CCC[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494296 874951261 /nfs/dbraw/zinc/95/12/61/874951261.db2.gz GPPSVSCBEDZSBR-ISKFKSNPSA-N 2 1 385.596 3.837 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000303237116 875324638 /nfs/dbraw/zinc/32/46/38/875324638.db2.gz YBIBLKCUJTYUHQ-NHCUHLMSSA-N 2 1 392.632 3.650 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)NCC[N@H+]3CCC(C)(C)C3)c2)CC1 ZINC001202160108 876035890 /nfs/dbraw/zinc/03/58/90/876035890.db2.gz OBNQGBXGLMLINW-UHFFFAOYSA-N 2 1 386.584 3.814 20 0 GHADMP Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000776266968 876089965 /nfs/dbraw/zinc/08/99/65/876089965.db2.gz YUOIMDGLAXUNOZ-UHFFFAOYSA-N 2 1 397.832 3.919 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccc3CC(C)C)CC2)CC1 ZINC000529568296 876341638 /nfs/dbraw/zinc/34/16/38/876341638.db2.gz WSZZZZPDBDNXSK-UHFFFAOYSA-N 2 1 385.596 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000173749525 876606440 /nfs/dbraw/zinc/60/64/40/876606440.db2.gz JVCFFTFCSNXZTI-WOIUINJBSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173749525 876606450 /nfs/dbraw/zinc/60/64/50/876606450.db2.gz JVCFFTFCSNXZTI-WOIUINJBSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173749525 876606456 /nfs/dbraw/zinc/60/64/56/876606456.db2.gz JVCFFTFCSNXZTI-WOIUINJBSA-N 2 1 386.584 3.685 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2nc(-c3cc(C)ccn3)no2)CC1)CC1CC1 ZINC000450644693 876703273 /nfs/dbraw/zinc/70/32/73/876703273.db2.gz BVXVSBXYXIRNLT-UHFFFAOYSA-N 2 1 383.540 3.774 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(-c3cc(C)ccn3)no2)CC1)CC1CC1 ZINC000450644693 876703278 /nfs/dbraw/zinc/70/32/78/876703278.db2.gz BVXVSBXYXIRNLT-UHFFFAOYSA-N 2 1 383.540 3.774 20 0 GHADMP Cc1ccc(Br)cc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000450634553 876713014 /nfs/dbraw/zinc/71/30/14/876713014.db2.gz GPNNQRXIPQKNKJ-UHFFFAOYSA-N 2 1 394.401 3.748 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Cl ZINC000850357293 876848567 /nfs/dbraw/zinc/84/85/67/876848567.db2.gz DVWGZSCOYFUKMR-LJQANCHMSA-N 2 1 390.959 3.501 20 0 GHADMP CCCCn1nc(C)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1Cl ZINC000850357293 876848573 /nfs/dbraw/zinc/84/85/73/876848573.db2.gz DVWGZSCOYFUKMR-LJQANCHMSA-N 2 1 390.959 3.501 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C[NH+]1CCCCC1 ZINC000174172482 876879727 /nfs/dbraw/zinc/87/97/27/876879727.db2.gz ZJFFOGPVXDNQNI-HBFSDRIKSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836910 876957005 /nfs/dbraw/zinc/95/70/05/876957005.db2.gz QENPMKJOXDCVDA-CNNODRBYSA-N 2 1 392.547 3.920 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786836910 876957011 /nfs/dbraw/zinc/95/70/11/876957011.db2.gz QENPMKJOXDCVDA-CNNODRBYSA-N 2 1 392.547 3.920 20 0 GHADMP O=C(OCC1CC[NH+](Cc2ccco2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000772689513 876973241 /nfs/dbraw/zinc/97/32/41/876973241.db2.gz JHXLUACGOOODAU-JOCHJYFZSA-N 2 1 382.504 3.699 20 0 GHADMP O=C(OCC1CC[NH+](Cc2ccco2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000772689513 876973249 /nfs/dbraw/zinc/97/32/49/876973249.db2.gz JHXLUACGOOODAU-JOCHJYFZSA-N 2 1 382.504 3.699 20 0 GHADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787014130 877081377 /nfs/dbraw/zinc/08/13/77/877081377.db2.gz PTWZMXAQQJQRPE-YPEAGQFRSA-N 2 1 394.515 3.622 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000079393176 877181097 /nfs/dbraw/zinc/18/10/97/877181097.db2.gz IODWVAQQVFTEKS-OAQYLSRUSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000079393176 877181115 /nfs/dbraw/zinc/18/11/15/877181115.db2.gz IODWVAQQVFTEKS-OAQYLSRUSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000079393176 877181132 /nfs/dbraw/zinc/18/11/32/877181132.db2.gz IODWVAQQVFTEKS-OAQYLSRUSA-N 2 1 386.584 3.559 20 0 GHADMP Clc1ccc(Br)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243631 877355803 /nfs/dbraw/zinc/35/58/03/877355803.db2.gz WUAZHSVOOPYKTK-INIZCTEOSA-N 2 1 387.749 3.693 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001183083413 912237939 /nfs/dbraw/zinc/23/79/39/912237939.db2.gz GHNMKWAIWRJUJY-RBUKOAKNSA-N 2 1 399.620 3.749 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCO1 ZINC001183083413 912237986 /nfs/dbraw/zinc/23/79/86/912237986.db2.gz GHNMKWAIWRJUJY-RBUKOAKNSA-N 2 1 399.620 3.749 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC000615446875 877747202 /nfs/dbraw/zinc/74/72/02/877747202.db2.gz XCLOBAZVMIPUSC-NRFANRHFSA-N 2 1 375.601 3.897 20 0 GHADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000615447484 877748482 /nfs/dbraw/zinc/74/84/82/877748482.db2.gz LDVLFRHGJYZJKA-NRFANRHFSA-N 2 1 383.580 3.622 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)[C@@H](C)C1 ZINC000245433537 877871038 /nfs/dbraw/zinc/87/10/38/877871038.db2.gz PHQQWQSYTQUJAR-LEDOBFOHSA-N 2 1 399.604 3.924 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[N@@H+]1C ZINC000851797370 877915095 /nfs/dbraw/zinc/91/50/95/877915095.db2.gz PVMFSYXNRTZCBT-FXAWDEMLSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[N@H+]1C ZINC000851797370 877915109 /nfs/dbraw/zinc/91/51/09/877915109.db2.gz PVMFSYXNRTZCBT-FXAWDEMLSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[NH+]1C ZINC000851797370 877915116 /nfs/dbraw/zinc/91/51/16/877915116.db2.gz PVMFSYXNRTZCBT-FXAWDEMLSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC[NH+]1C ZINC000851797370 877915131 /nfs/dbraw/zinc/91/51/31/877915131.db2.gz PVMFSYXNRTZCBT-FXAWDEMLSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000788244597 877945129 /nfs/dbraw/zinc/94/51/29/877945129.db2.gz NTWWPNXDMOUBJW-UTKZUKDTSA-N 2 1 387.568 3.727 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000551908405 878006341 /nfs/dbraw/zinc/00/63/41/878006341.db2.gz MVIWQODLWRJIHI-QGZVFWFLSA-N 2 1 389.367 3.785 20 0 GHADMP CC[C@H](c1ccc(F)cc1F)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451538663 878097669 /nfs/dbraw/zinc/09/76/69/878097669.db2.gz TWXCGDYHDCWGNL-XMSQKQJNSA-N 2 1 393.522 3.682 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(Br)ccc1F ZINC000788541090 878136968 /nfs/dbraw/zinc/13/69/68/878136968.db2.gz CFUQEFCAPHXSMZ-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000451575665 878182402 /nfs/dbraw/zinc/18/24/02/878182402.db2.gz YDYJAXLIBYNUNY-IBGZPJMESA-N 2 1 394.401 3.655 20 0 GHADMP C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000788796015 878323728 /nfs/dbraw/zinc/32/37/28/878323728.db2.gz DAKLDTLEPVTXEP-KKXNLOMOSA-N 2 1 375.557 3.932 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000616083510 878488676 /nfs/dbraw/zinc/48/86/76/878488676.db2.gz VRBFVWRYXPMIAX-UHFFFAOYSA-N 2 1 380.621 3.652 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000530782148 878510920 /nfs/dbraw/zinc/51/09/20/878510920.db2.gz HNSACOQFHQADAM-SFHVURJKSA-N 2 1 395.551 3.902 20 0 GHADMP CC(C)C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245753352 878544931 /nfs/dbraw/zinc/54/49/31/878544931.db2.gz ULKIRFQAIRODSU-KIHHCIJBSA-N 2 1 385.596 3.519 20 0 GHADMP C[C@H](CCNC(=O)c1ccc(Cn2ccnc2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000530835978 878577540 /nfs/dbraw/zinc/57/75/40/878577540.db2.gz CSSPFABJOXQIQM-LJQANCHMSA-N 2 1 376.504 3.572 20 0 GHADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1SC(F)F ZINC000852753404 878578814 /nfs/dbraw/zinc/57/88/14/878578814.db2.gz AJCBFKJWRQXNKY-HNNXBMFYSA-N 2 1 383.508 3.651 20 0 GHADMP CCc1cc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000538003647 878653995 /nfs/dbraw/zinc/65/39/95/878653995.db2.gz AXIOMOKWHFDQOZ-OALUTQOASA-N 2 1 397.563 3.892 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1)CC(C)C ZINC000538057982 878772747 /nfs/dbraw/zinc/77/27/47/878772747.db2.gz KCIDIIOZTTVTDC-IBGZPJMESA-N 2 1 391.604 3.617 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1)CC(C)C ZINC000538057982 878772764 /nfs/dbraw/zinc/77/27/64/878772764.db2.gz KCIDIIOZTTVTDC-IBGZPJMESA-N 2 1 391.604 3.617 20 0 GHADMP O=C(OCc1ccccc1)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c[nH]1 ZINC000853092974 878810248 /nfs/dbraw/zinc/81/02/48/878810248.db2.gz XKQLTGJXORQYRF-HXUWFJFHSA-N 2 1 381.520 3.583 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100423 878814157 /nfs/dbraw/zinc/81/41/57/878814157.db2.gz DYVKIGADNRHAQB-NSISKUIASA-N 2 1 393.453 3.807 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000853100423 878814167 /nfs/dbraw/zinc/81/41/67/878814167.db2.gz DYVKIGADNRHAQB-NSISKUIASA-N 2 1 393.453 3.807 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC000530949602 878823433 /nfs/dbraw/zinc/82/34/33/878823433.db2.gz JIFIHUPTWFAUIN-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000246037255 878880893 /nfs/dbraw/zinc/88/08/93/878880893.db2.gz OLJAGGIZMRBZEB-UGKGYDQZSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000246037255 878880904 /nfs/dbraw/zinc/88/09/04/878880904.db2.gz OLJAGGIZMRBZEB-UGKGYDQZSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246041431 878887641 /nfs/dbraw/zinc/88/76/41/878887641.db2.gz NWYVARRWGPWYGW-GMQQQROESA-N 2 1 392.609 3.610 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000177862022 878891821 /nfs/dbraw/zinc/89/18/21/878891821.db2.gz LPIWMKRCTXKRPQ-MOPGFXCFSA-N 2 1 389.588 3.514 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000177862022 878891835 /nfs/dbraw/zinc/89/18/35/878891835.db2.gz LPIWMKRCTXKRPQ-MOPGFXCFSA-N 2 1 389.588 3.514 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000177866731 878895314 /nfs/dbraw/zinc/89/53/14/878895314.db2.gz JCIBGAKKGYBVLQ-JOCHJYFZSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241660 878927097 /nfs/dbraw/zinc/92/70/97/878927097.db2.gz WTOFIUOEWDWBPK-MISYRCLQSA-N 2 1 379.589 3.734 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2)CC1 ZINC000138827616 878933260 /nfs/dbraw/zinc/93/32/60/878933260.db2.gz NGILYMLTPGTAEY-PKTZIBPZSA-N 2 1 398.595 3.544 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000246094375 878964346 /nfs/dbraw/zinc/96/43/46/878964346.db2.gz NXFLBGSGSWBBGI-QZTJIDSGSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000246094375 878964354 /nfs/dbraw/zinc/96/43/54/878964354.db2.gz NXFLBGSGSWBBGI-QZTJIDSGSA-N 2 1 383.540 3.805 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178156353 879022300 /nfs/dbraw/zinc/02/23/00/879022300.db2.gz IYBJCECGCGYKGO-JOCHJYFZSA-N 2 1 383.580 3.669 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000178225638 879048483 /nfs/dbraw/zinc/04/84/83/879048483.db2.gz SWGRSZOWQQNKGG-FXXYKOEOSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178225638 879048495 /nfs/dbraw/zinc/04/84/95/879048495.db2.gz SWGRSZOWQQNKGG-FXXYKOEOSA-N 2 1 395.591 3.953 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178225638 879048509 /nfs/dbraw/zinc/04/85/09/879048509.db2.gz SWGRSZOWQQNKGG-FXXYKOEOSA-N 2 1 395.591 3.953 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000531139948 879221074 /nfs/dbraw/zinc/22/10/74/879221074.db2.gz JSSSWEYUTGLEBG-CWRNSKLLSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000531139948 879221091 /nfs/dbraw/zinc/22/10/91/879221091.db2.gz JSSSWEYUTGLEBG-CWRNSKLLSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000531139948 879221109 /nfs/dbraw/zinc/22/11/09/879221109.db2.gz JSSSWEYUTGLEBG-CWRNSKLLSA-N 2 1 375.340 3.538 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000246410203 879534627 /nfs/dbraw/zinc/53/46/27/879534627.db2.gz GTSBEMLLWVAJTN-ZVDOUQERSA-N 2 1 399.579 3.889 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000246447508 879571685 /nfs/dbraw/zinc/57/16/85/879571685.db2.gz IJBRYBDXQKADOF-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000246447508 879571699 /nfs/dbraw/zinc/57/16/99/879571699.db2.gz IJBRYBDXQKADOF-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000246447508 879571707 /nfs/dbraw/zinc/57/17/07/879571707.db2.gz IJBRYBDXQKADOF-CEMLEFRQSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503607 879629965 /nfs/dbraw/zinc/62/99/65/879629965.db2.gz HUANKLFNIVVUDP-BYZLFZLASA-N 2 1 392.971 3.727 20 0 GHADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503607 879629972 /nfs/dbraw/zinc/62/99/72/879629972.db2.gz HUANKLFNIVVUDP-BYZLFZLASA-N 2 1 392.971 3.727 20 0 GHADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000246503607 879629978 /nfs/dbraw/zinc/62/99/78/879629978.db2.gz HUANKLFNIVVUDP-BYZLFZLASA-N 2 1 392.971 3.727 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(OCc4ccccc4)C3)c2)CCO1 ZINC000493937968 879749754 /nfs/dbraw/zinc/74/97/54/879749754.db2.gz UYPZHWULUVFDNB-NNAHLOSHSA-N 2 1 380.532 3.745 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(OCc4ccccc4)C3)c2)CCO1 ZINC000493937968 879749761 /nfs/dbraw/zinc/74/97/61/879749761.db2.gz UYPZHWULUVFDNB-NNAHLOSHSA-N 2 1 380.532 3.745 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)[C@H](OC)c3ccccc3)cc2)CC1 ZINC000493967663 879785536 /nfs/dbraw/zinc/78/55/36/879785536.db2.gz HNRCNBDTBXKIJI-YKSBVNFPSA-N 2 1 381.564 3.690 20 0 GHADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)Cc1ccccc1 ZINC000246942836 879857042 /nfs/dbraw/zinc/85/70/42/879857042.db2.gz HRLKYAJSNVECIS-IEZKXTBUSA-N 2 1 394.607 3.835 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(OC)cc(C)n2)CC1 ZINC000538611755 879861703 /nfs/dbraw/zinc/86/17/03/879861703.db2.gz GTBVTJDKJRBPPG-QGZVFWFLSA-N 2 1 386.515 3.530 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000531443999 879864596 /nfs/dbraw/zinc/86/45/96/879864596.db2.gz ZYWFFOQHLHIRNW-SFTDATJTSA-N 2 1 398.595 3.719 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247001264 879878033 /nfs/dbraw/zinc/87/80/33/879878033.db2.gz LXOJPEVSTKJJDT-WOJBJXKFSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247020652 879888517 /nfs/dbraw/zinc/88/85/17/879888517.db2.gz QICWIEOZPNPDHC-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247020652 879888522 /nfs/dbraw/zinc/88/85/22/879888522.db2.gz QICWIEOZPNPDHC-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247020652 879888533 /nfs/dbraw/zinc/88/85/33/879888533.db2.gz QICWIEOZPNPDHC-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000247073618 879909670 /nfs/dbraw/zinc/90/96/70/879909670.db2.gz OKGUIHNCLIQQMA-IPJJNNNSSA-N 2 1 387.568 3.601 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1Cl ZINC000247116346 879922120 /nfs/dbraw/zinc/92/21/20/879922120.db2.gz FFGFGJNGQKXLNX-YLJYHZDGSA-N 2 1 394.991 3.706 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)CC[C@@H]21 ZINC000140278774 879927983 /nfs/dbraw/zinc/92/79/83/879927983.db2.gz CEVARPCYZWCQBL-GOTSBHOMSA-N 2 1 398.595 3.688 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000247207861 879942089 /nfs/dbraw/zinc/94/20/89/879942089.db2.gz WTPGNGUPIBKPSK-MSOLQXFVSA-N 2 1 381.586 3.753 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494188177 880004134 /nfs/dbraw/zinc/00/41/34/880004134.db2.gz HQSQOKGXUFDNCF-DLBZAZTESA-N 2 1 387.749 3.570 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286059001 912551555 /nfs/dbraw/zinc/55/15/55/912551555.db2.gz KORSQIKJZRLUGH-VXKWHMMOSA-N 2 1 382.552 3.778 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286059001 912551568 /nfs/dbraw/zinc/55/15/68/912551568.db2.gz KORSQIKJZRLUGH-VXKWHMMOSA-N 2 1 382.552 3.778 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286059001 912551581 /nfs/dbraw/zinc/55/15/81/912551581.db2.gz KORSQIKJZRLUGH-VXKWHMMOSA-N 2 1 382.552 3.778 20 0 GHADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CCC2 ZINC000531677625 880304990 /nfs/dbraw/zinc/30/49/90/880304990.db2.gz ODAIWXQWXYNNAO-RTWAWAEBSA-N 2 1 385.577 3.712 20 0 GHADMP Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000184658730 880356533 /nfs/dbraw/zinc/35/65/33/880356533.db2.gz BOWKBTQCKCMMES-JOCHJYFZSA-N 2 1 394.563 3.962 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(C(F)(F)F)n1 ZINC000453176456 880543035 /nfs/dbraw/zinc/54/30/35/880543035.db2.gz QUVYCKDXTRBZDC-OTWHNJEPSA-N 2 1 392.469 3.972 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(C(F)(F)F)n1 ZINC000453176456 880543043 /nfs/dbraw/zinc/54/30/43/880543043.db2.gz QUVYCKDXTRBZDC-OTWHNJEPSA-N 2 1 392.469 3.972 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)o1 ZINC000531945744 880763589 /nfs/dbraw/zinc/76/35/89/880763589.db2.gz RKCWXHKCAWKPMP-PMOQBDJRSA-N 2 1 397.563 3.604 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)o1 ZINC000531945744 880763600 /nfs/dbraw/zinc/76/36/00/880763600.db2.gz RKCWXHKCAWKPMP-PMOQBDJRSA-N 2 1 397.563 3.604 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000531944532 880764262 /nfs/dbraw/zinc/76/42/62/880764262.db2.gz WMKWMWBPNWRUBR-AWEZNQCLSA-N 2 1 387.446 3.766 20 0 GHADMP Cn1nc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c2ccccc21 ZINC000186475324 880895192 /nfs/dbraw/zinc/89/51/92/880895192.db2.gz PWZUQFBUVOAUHX-UHFFFAOYSA-N 2 1 380.511 3.552 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000776866833 880916822 /nfs/dbraw/zinc/91/68/22/880916822.db2.gz ZWZYAGGIGFHMJJ-BLKABHOGSA-N 2 1 387.568 3.886 20 0 GHADMP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000776866833 880916828 /nfs/dbraw/zinc/91/68/28/880916828.db2.gz ZWZYAGGIGFHMJJ-BLKABHOGSA-N 2 1 387.568 3.886 20 0 GHADMP CC[NH+]1CCC(CC2CCN(C(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001183567115 912635942 /nfs/dbraw/zinc/63/59/42/912635942.db2.gz NRJRZTPXIYVMGQ-XMMPIXPASA-N 2 1 397.607 3.869 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CCO1 ZINC001170214471 881217528 /nfs/dbraw/zinc/21/75/28/881217528.db2.gz PIOZGHFJKKBAAZ-GBESFXJTSA-N 2 1 378.582 3.761 20 0 GHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000537692445 883161811 /nfs/dbraw/zinc/16/18/11/883161811.db2.gz LEARYDDMOUXSKQ-KJXAQDMKSA-N 2 1 381.520 3.866 20 0 GHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1Oc1cccnc1 ZINC000537692445 883161819 /nfs/dbraw/zinc/16/18/19/883161819.db2.gz LEARYDDMOUXSKQ-KJXAQDMKSA-N 2 1 381.520 3.866 20 0 GHADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000537692439 883162311 /nfs/dbraw/zinc/16/23/11/883162311.db2.gz LEARYDDMOUXSKQ-IEIRFRATSA-N 2 1 381.520 3.866 20 0 GHADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1Oc1cccnc1 ZINC000537692439 883162320 /nfs/dbraw/zinc/16/23/20/883162320.db2.gz LEARYDDMOUXSKQ-IEIRFRATSA-N 2 1 381.520 3.866 20 0 GHADMP C[NH+]1CCN(CCCC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000551201655 883475645 /nfs/dbraw/zinc/47/56/45/883475645.db2.gz NKNMRGWLIZKCFR-UHFFFAOYSA-N 2 1 378.973 3.581 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H]2CCCO[C@@H]21 ZINC000551265609 883574663 /nfs/dbraw/zinc/57/46/63/883574663.db2.gz WPHNVXSYJXROGL-ACESQOTJSA-N 2 1 398.591 3.708 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477029958 883590615 /nfs/dbraw/zinc/59/06/15/883590615.db2.gz CXKARLPRGAJZKE-QHCPKHFHSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477029958 883590617 /nfs/dbraw/zinc/59/06/17/883590617.db2.gz CXKARLPRGAJZKE-QHCPKHFHSA-N 2 1 395.591 3.908 20 0 GHADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477029958 883590621 /nfs/dbraw/zinc/59/06/21/883590621.db2.gz CXKARLPRGAJZKE-QHCPKHFHSA-N 2 1 395.591 3.908 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000537698880 883630053 /nfs/dbraw/zinc/63/00/53/883630053.db2.gz ZYPAHOZEAWLPPQ-QHAWAJNXSA-N 2 1 388.943 3.518 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000537698880 883630061 /nfs/dbraw/zinc/63/00/61/883630061.db2.gz ZYPAHOZEAWLPPQ-QHAWAJNXSA-N 2 1 388.943 3.518 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214603 883667802 /nfs/dbraw/zinc/66/78/02/883667802.db2.gz PQMORYWPUMUMKX-OAHLLOKOSA-N 2 1 391.462 3.809 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214603 883667806 /nfs/dbraw/zinc/66/78/06/883667806.db2.gz PQMORYWPUMUMKX-OAHLLOKOSA-N 2 1 391.462 3.809 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215153 883669122 /nfs/dbraw/zinc/66/91/22/883669122.db2.gz WDYVANHIWGUZKH-AWEZNQCLSA-N 2 1 377.891 4.000 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215153 883669127 /nfs/dbraw/zinc/66/91/27/883669127.db2.gz WDYVANHIWGUZKH-AWEZNQCLSA-N 2 1 377.891 4.000 20 0 GHADMP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215130 883669337 /nfs/dbraw/zinc/66/93/37/883669337.db2.gz ZXDFQBQGEXJLED-AYNFZOLJSA-N 2 1 383.580 3.654 20 0 GHADMP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215130 883669348 /nfs/dbraw/zinc/66/93/48/883669348.db2.gz ZXDFQBQGEXJLED-AYNFZOLJSA-N 2 1 383.580 3.654 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cs1 ZINC000194116093 883683019 /nfs/dbraw/zinc/68/30/19/883683019.db2.gz PHMJVXKSTSWADU-RCBQFDQVSA-N 2 1 387.387 3.929 20 0 GHADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000477111809 883732868 /nfs/dbraw/zinc/73/28/68/883732868.db2.gz YVLDOGNTMUHWHD-SJLPKXTDSA-N 2 1 397.567 3.528 20 0 GHADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000477111809 883732881 /nfs/dbraw/zinc/73/28/81/883732881.db2.gz YVLDOGNTMUHWHD-SJLPKXTDSA-N 2 1 397.567 3.528 20 0 GHADMP Fc1c(Cl)cccc1-c1noc([C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911714 883848413 /nfs/dbraw/zinc/84/84/13/883848413.db2.gz USHXEYHNFDVMHT-INIZCTEOSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1c(Cl)cccc1-c1noc([C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911714 883848423 /nfs/dbraw/zinc/84/84/23/883848423.db2.gz USHXEYHNFDVMHT-INIZCTEOSA-N 2 1 398.869 3.718 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001183728698 912760890 /nfs/dbraw/zinc/76/08/90/912760890.db2.gz TWYDBIOLJZGQDF-DFQSSKMNSA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001183728698 912760901 /nfs/dbraw/zinc/76/09/01/912760901.db2.gz TWYDBIOLJZGQDF-DFQSSKMNSA-N 2 1 381.486 3.971 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000194889525 883978932 /nfs/dbraw/zinc/97/89/32/883978932.db2.gz WFAOBVPMYCVHPC-OALUTQOASA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000194889525 883978946 /nfs/dbraw/zinc/97/89/46/883978946.db2.gz WFAOBVPMYCVHPC-OALUTQOASA-N 2 1 397.567 3.701 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC(=O)N1Cc1ccccc1 ZINC000556178804 884028763 /nfs/dbraw/zinc/02/87/63/884028763.db2.gz JIPJSQYBEDJZBE-YJSIEXFISA-N 2 1 377.532 3.601 20 0 GHADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC(=O)N1Cc1ccccc1 ZINC000556178804 884028769 /nfs/dbraw/zinc/02/87/69/884028769.db2.gz JIPJSQYBEDJZBE-YJSIEXFISA-N 2 1 377.532 3.601 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000191538226 884198652 /nfs/dbraw/zinc/19/86/52/884198652.db2.gz UCEBRUNTANDEPV-RTWAWAEBSA-N 2 1 393.641 3.832 20 0 GHADMP CN(C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476193021 884257764 /nfs/dbraw/zinc/25/77/64/884257764.db2.gz CYBPDEDWLHXDQR-HSZRJFAPSA-N 2 1 398.595 3.829 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000476193021 884257780 /nfs/dbraw/zinc/25/77/80/884257780.db2.gz CYBPDEDWLHXDQR-HSZRJFAPSA-N 2 1 398.595 3.829 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000476193021 884257794 /nfs/dbraw/zinc/25/77/94/884257794.db2.gz CYBPDEDWLHXDQR-HSZRJFAPSA-N 2 1 398.595 3.829 20 0 GHADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCCC1 ZINC000465460261 884304454 /nfs/dbraw/zinc/30/44/54/884304454.db2.gz RFFLKYPYSLSWHT-HKUYNNGSSA-N 2 1 392.613 3.695 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000465460298 884305424 /nfs/dbraw/zinc/30/54/24/884305424.db2.gz WCSCJZJGUOCQPO-JOCHJYFZSA-N 2 1 388.600 3.659 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(C)=O ZINC000192930109 884314600 /nfs/dbraw/zinc/31/46/00/884314600.db2.gz ZIRLWKHFSJIMKW-PXNSSMCTSA-N 2 1 381.520 3.826 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000666259053 884467747 /nfs/dbraw/zinc/46/77/47/884467747.db2.gz ORFLROBOMGPLMF-UHFFFAOYSA-N 2 1 381.564 3.788 20 0 GHADMP c1cc(-c2n[nH]cc2CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000428547132 884528425 /nfs/dbraw/zinc/52/84/25/884528425.db2.gz MVXGSPCGFXJXAI-FQEVSTJZSA-N 2 1 382.533 3.519 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cc(OC)ccc2c1 ZINC000806616026 884856640 /nfs/dbraw/zinc/85/66/40/884856640.db2.gz YYQCDMUWQTYPJC-OAQYLSRUSA-N 2 1 398.551 3.728 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000806931293 885097608 /nfs/dbraw/zinc/09/76/08/885097608.db2.gz LCHSZOHZCRPOBS-RQJJNDFQSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H]1[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000806931291 885097839 /nfs/dbraw/zinc/09/78/39/885097839.db2.gz LCHSZOHZCRPOBS-OZRWQMGGSA-N 2 1 398.595 3.746 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000498683548 885264576 /nfs/dbraw/zinc/26/45/76/885264576.db2.gz WOENWINLKPYMLF-UHFFFAOYSA-N 2 1 379.548 3.795 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000107327961 885343006 /nfs/dbraw/zinc/34/30/06/885343006.db2.gz AFPNTABUOFSUNP-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP COc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1OC ZINC000131028169 885421925 /nfs/dbraw/zinc/42/19/25/885421925.db2.gz KOAIFXQNKFJNCE-UHFFFAOYSA-N 2 1 386.511 3.682 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498721411 885481875 /nfs/dbraw/zinc/48/18/75/885481875.db2.gz LFJHWXFIJSTIED-UNMCSNQZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C3CCN(c4cnccn4)CC3)cc2)C1 ZINC000532446551 885493393 /nfs/dbraw/zinc/49/33/93/885493393.db2.gz OVYLZBKABZUFSK-BGYRXZFFSA-N 2 1 393.579 3.713 20 0 GHADMP C[C@@H](c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000556583677 885562225 /nfs/dbraw/zinc/56/22/25/885562225.db2.gz GRKDZKUTBIJPCB-AWEZNQCLSA-N 2 1 392.425 3.752 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H](CNC3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769009 885571700 /nfs/dbraw/zinc/57/17/00/885571700.db2.gz AZWCYDRYVKRKJG-LADGPHEKSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769009 885571720 /nfs/dbraw/zinc/57/17/20/885571720.db2.gz AZWCYDRYVKRKJG-LADGPHEKSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CCN(C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655769009 885571737 /nfs/dbraw/zinc/57/17/37/885571737.db2.gz AZWCYDRYVKRKJG-LADGPHEKSA-N 2 1 385.596 3.522 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H]4CCC[N@H+](C)C4)cc3)nc12 ZINC000108428321 885729547 /nfs/dbraw/zinc/72/95/47/885729547.db2.gz XRVVZADIJFMYOQ-HXUWFJFHSA-N 2 1 378.520 3.653 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000532500468 885830448 /nfs/dbraw/zinc/83/04/48/885830448.db2.gz AOEXKGSANSNFNA-OGWOLHLISA-N 2 1 385.474 3.545 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000532500468 885830457 /nfs/dbraw/zinc/83/04/57/885830457.db2.gz AOEXKGSANSNFNA-OGWOLHLISA-N 2 1 385.474 3.545 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550680745 885853164 /nfs/dbraw/zinc/85/31/64/885853164.db2.gz QFUPTXUXPNEVTN-HJOGWXRNSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000550680745 885853171 /nfs/dbraw/zinc/85/31/71/885853171.db2.gz QFUPTXUXPNEVTN-HJOGWXRNSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550680746 885853438 /nfs/dbraw/zinc/85/34/38/885853438.db2.gz QFUPTXUXPNEVTN-KMDXXIMOSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000550680746 885853446 /nfs/dbraw/zinc/85/34/46/885853446.db2.gz QFUPTXUXPNEVTN-KMDXXIMOSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000550700071 885922910 /nfs/dbraw/zinc/92/29/10/885922910.db2.gz AFQALRNNQNGBQK-GOTSBHOMSA-N 2 1 377.532 3.734 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000550700071 885922928 /nfs/dbraw/zinc/92/29/28/885922928.db2.gz AFQALRNNQNGBQK-GOTSBHOMSA-N 2 1 377.532 3.734 20 0 GHADMP CC[N@@H+](CN1C(=O)CCC1(C)C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000808164385 886036046 /nfs/dbraw/zinc/03/60/46/886036046.db2.gz XAZSZOZGIAJPOZ-UHFFFAOYSA-N 2 1 387.572 3.558 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000919719249 886216698 /nfs/dbraw/zinc/21/66/98/886216698.db2.gz RFVZGTNVZFQCAI-UHFFFAOYSA-N 2 1 396.347 3.949 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000556810173 886218557 /nfs/dbraw/zinc/21/85/57/886218557.db2.gz PTSXWSGMPZBKIT-XMMPIXPASA-N 2 1 377.576 3.919 20 0 GHADMP Cc1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000556867635 886384333 /nfs/dbraw/zinc/38/43/33/886384333.db2.gz RLBSLNOBVABRRR-QZTJIDSGSA-N 2 1 380.960 3.739 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867507 886384576 /nfs/dbraw/zinc/38/45/76/886384576.db2.gz FELWXBNINRNOPY-IRFCIJBXSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867507 886384592 /nfs/dbraw/zinc/38/45/92/886384592.db2.gz FELWXBNINRNOPY-IRFCIJBXSA-N 2 1 375.520 3.971 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2n[nH]cc2Br)CC1 ZINC000556886209 886461975 /nfs/dbraw/zinc/46/19/75/886461975.db2.gz QQWJAULMFDVJTL-UHFFFAOYSA-N 2 1 377.330 3.705 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001168322842 886483415 /nfs/dbraw/zinc/48/34/15/886483415.db2.gz YDZANTRFAHNSBZ-YDPRHXJPSA-N 2 1 389.559 3.617 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4CCC([NH+](C)C)CC4)CC3)C2)cc1 ZINC001168322933 886487877 /nfs/dbraw/zinc/48/78/77/886487877.db2.gz JQTFSFWJCLACSF-UHFFFAOYSA-N 3 1 385.596 3.535 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+](C4CCC([NH+](C)C)CC4)CC3)C2)cc1 ZINC001168322933 886487885 /nfs/dbraw/zinc/48/78/85/886487885.db2.gz JQTFSFWJCLACSF-UHFFFAOYSA-N 2 1 385.596 3.535 20 0 GHADMP Cc1[nH+]ccn1CC[N@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000499053844 886511050 /nfs/dbraw/zinc/51/10/50/886511050.db2.gz IAKDTYMWTYQONL-UHFFFAOYSA-N 2 1 399.922 3.918 20 0 GHADMP Cc1[nH+]ccn1CC[N@@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000499053844 886511065 /nfs/dbraw/zinc/51/10/65/886511065.db2.gz IAKDTYMWTYQONL-UHFFFAOYSA-N 2 1 399.922 3.918 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)CC1 ZINC001168328264 886723642 /nfs/dbraw/zinc/72/36/42/886723642.db2.gz BZGOGWMIDAZKJC-SSHXOBKSSA-N 2 1 393.494 3.637 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000237133060 886913277 /nfs/dbraw/zinc/91/32/77/886913277.db2.gz RIKLBGXMNMLOKQ-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(-c2ccccc2)cc1OC ZINC000237433010 886948613 /nfs/dbraw/zinc/94/86/13/886948613.db2.gz KZGFSORFXZOROC-OAQYLSRUSA-N 2 1 398.547 3.553 20 0 GHADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000126712214 887001051 /nfs/dbraw/zinc/00/10/51/887001051.db2.gz BENZKOQXXHISPD-OXQOHEQNSA-N 2 1 378.944 3.953 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459320549 887345471 /nfs/dbraw/zinc/34/54/71/887345471.db2.gz DZVNEHBFZIAVCJ-UHFFFAOYSA-N 2 1 385.346 3.860 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459320549 887345488 /nfs/dbraw/zinc/34/54/88/887345488.db2.gz DZVNEHBFZIAVCJ-UHFFFAOYSA-N 2 1 385.346 3.860 20 0 GHADMP FC(F)(F)Cn1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435428667 887471976 /nfs/dbraw/zinc/47/19/76/887471976.db2.gz SYMIVEDRCITVBB-INIZCTEOSA-N 2 1 384.471 3.651 20 0 GHADMP FC(F)(F)Cn1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435428667 887471988 /nfs/dbraw/zinc/47/19/88/887471988.db2.gz SYMIVEDRCITVBB-INIZCTEOSA-N 2 1 384.471 3.651 20 0 GHADMP c1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459348095 887545418 /nfs/dbraw/zinc/54/54/18/887545418.db2.gz QWQDTIVNJPGHSZ-LJQANCHMSA-N 2 1 379.552 3.978 20 0 GHADMP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459348095 887545425 /nfs/dbraw/zinc/54/54/25/887545425.db2.gz QWQDTIVNJPGHSZ-LJQANCHMSA-N 2 1 379.552 3.978 20 0 GHADMP C[C@H]1CN(c2ccccc2CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459360743 887672818 /nfs/dbraw/zinc/67/28/18/887672818.db2.gz YSLQKCAMBMIFGC-JTHBVZDNSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@H]1CN(c2ccccc2C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CCO1 ZINC000459360743 887672822 /nfs/dbraw/zinc/67/28/22/887672822.db2.gz YSLQKCAMBMIFGC-JTHBVZDNSA-N 2 1 393.575 3.866 20 0 GHADMP C[C@H]1CN(c2ccccc2C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459360743 887672835 /nfs/dbraw/zinc/67/28/35/887672835.db2.gz YSLQKCAMBMIFGC-JTHBVZDNSA-N 2 1 393.575 3.866 20 0 GHADMP CCOc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459364906 887731309 /nfs/dbraw/zinc/73/13/09/887731309.db2.gz WRMIRYXMJSPLLI-HDICACEKSA-N 2 1 376.541 3.502 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000801543398 921115116 /nfs/dbraw/zinc/11/51/16/921115116.db2.gz BGZYGHXFCCMDEE-KRWDZBQOSA-N 2 1 386.458 3.743 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000801543398 921115125 /nfs/dbraw/zinc/11/51/25/921115125.db2.gz BGZYGHXFCCMDEE-KRWDZBQOSA-N 2 1 386.458 3.743 20 0 GHADMP O=C(c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1)N1CCCC1 ZINC000865447597 888360187 /nfs/dbraw/zinc/36/01/87/888360187.db2.gz VPDYABFUMQQRCX-QHCPKHFHSA-N 2 1 391.559 3.577 20 0 GHADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702936 889013019 /nfs/dbraw/zinc/01/30/19/889013019.db2.gz DYOJWGWJLPHOGR-QHCPKHFHSA-N 2 1 397.567 3.515 20 0 GHADMP C[N@@H+](CCCCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000454502465 889152354 /nfs/dbraw/zinc/15/23/54/889152354.db2.gz DDIRUVSTOVCSCJ-UHFFFAOYSA-N 2 1 386.584 3.736 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)ccc1Cl ZINC000533008517 889513334 /nfs/dbraw/zinc/51/33/34/889513334.db2.gz NMXSQXFTHMRCFF-KRWDZBQOSA-N 2 1 386.927 3.647 20 0 GHADMP C[NH+](C)Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1Cl ZINC000533008517 889513344 /nfs/dbraw/zinc/51/33/44/889513344.db2.gz NMXSQXFTHMRCFF-KRWDZBQOSA-N 2 1 386.927 3.647 20 0 GHADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1F ZINC000644559660 913367406 /nfs/dbraw/zinc/36/74/06/913367406.db2.gz MJCBXVUGUCBYCH-IHWFROFDSA-N 2 1 381.495 3.940 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245779650 889706438 /nfs/dbraw/zinc/70/64/38/889706438.db2.gz YQAUFDGJMGOQII-BKFWDETESA-N 2 1 391.559 3.716 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000869007986 889714135 /nfs/dbraw/zinc/71/41/35/889714135.db2.gz LGTATQWLPAIPDS-VRWNLEDGSA-N 2 1 392.613 3.693 20 0 GHADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000124989104 889838743 /nfs/dbraw/zinc/83/87/43/889838743.db2.gz WZYUGRUEPPPLSP-HXUWFJFHSA-N 2 1 395.547 3.815 20 0 GHADMP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000125287936 889939387 /nfs/dbraw/zinc/93/93/87/889939387.db2.gz SHAMIJMTDAVRJQ-CBJHCWRLSA-N 2 1 392.613 3.551 20 0 GHADMP Cc1[nH+]ccn1-c1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)ncn1 ZINC001170644488 889990242 /nfs/dbraw/zinc/99/02/42/889990242.db2.gz QEVIDBSWCJVNHX-NSKBAKJYSA-N 2 1 388.519 3.603 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000795093295 890044215 /nfs/dbraw/zinc/04/42/15/890044215.db2.gz ZXCQRHGKXYCXFV-IBGZPJMESA-N 2 1 397.032 3.529 20 0 GHADMP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C1CCCCC1 ZINC001168520751 890137139 /nfs/dbraw/zinc/13/71/39/890137139.db2.gz UMBWUARKAHOYDQ-QHCPKHFHSA-N 2 1 385.596 3.978 20 0 GHADMP CC(C[NH+]1CCC(C[NH+](C)C(C)C)CC1)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271739 890139774 /nfs/dbraw/zinc/13/97/74/890139774.db2.gz SXDWNGAWVOKLAB-UHFFFAOYSA-N 4 1 394.692 3.727 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000125820103 890177747 /nfs/dbraw/zinc/17/77/47/890177747.db2.gz PAURRHFQDGHYLR-BHIYHBOVSA-N 2 1 399.501 3.791 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644651544 913427349 /nfs/dbraw/zinc/42/73/49/913427349.db2.gz ZCTSSRYRKKEJGC-BJKOFHAPSA-N 2 1 396.575 3.881 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000917069598 890990722 /nfs/dbraw/zinc/99/07/22/890990722.db2.gz UYCXBJCIOWTOEJ-IBGZPJMESA-N 2 1 383.374 3.926 20 0 GHADMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000871873057 891064923 /nfs/dbraw/zinc/06/49/23/891064923.db2.gz QHJFOLAUDYICNJ-OAQYLSRUSA-N 2 1 398.551 3.819 20 0 GHADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156647 891183823 /nfs/dbraw/zinc/18/38/23/891183823.db2.gz KVZCDIFNMGONHP-ZHALLVOQSA-N 2 1 378.561 3.923 20 0 GHADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872156647 891183827 /nfs/dbraw/zinc/18/38/27/891183827.db2.gz KVZCDIFNMGONHP-ZHALLVOQSA-N 2 1 378.561 3.923 20 0 GHADMP [NH3+]C1(Cc2nc(-c3cccc4[nH]ccc43)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872176669 891201153 /nfs/dbraw/zinc/20/11/53/891201153.db2.gz SSCKLNQXZVGQCN-UHFFFAOYSA-N 2 1 387.487 3.754 20 0 GHADMP [NH3+]C1(Cc2nc(-c3cccc4ncccc43)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000872182394 891204051 /nfs/dbraw/zinc/20/40/51/891204051.db2.gz XFTFCBDYIVLOQP-UHFFFAOYSA-N 2 1 399.498 3.821 20 0 GHADMP COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000459386916 891209115 /nfs/dbraw/zinc/20/91/15/891209115.db2.gz BZBJZAJJWDGLIN-OAQYLSRUSA-N 2 1 379.504 3.862 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000246863574 891316913 /nfs/dbraw/zinc/31/69/13/891316913.db2.gz DCKAZUIFFYYQOM-GBXCKJPGSA-N 2 1 380.580 3.922 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1cccs1 ZINC000247477288 891379201 /nfs/dbraw/zinc/37/92/01/891379201.db2.gz TYRGIBUAMXINCF-QFBILLFUSA-N 2 1 392.613 3.693 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000128084337 891405904 /nfs/dbraw/zinc/40/59/04/891405904.db2.gz ZSUPSBMCXCBRCO-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](CCCNC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000813325423 891488128 /nfs/dbraw/zinc/48/81/28/891488128.db2.gz DKZFTTYBZIFYRK-UYAOXDASSA-N 2 1 375.557 3.964 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)C1CCCCC1 ZINC000497400027 891499068 /nfs/dbraw/zinc/49/90/68/891499068.db2.gz HYYVNIVQGWYUTE-AUSIDOKSSA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)C1CCCCC1 ZINC000497400027 891499072 /nfs/dbraw/zinc/49/90/72/891499072.db2.gz HYYVNIVQGWYUTE-AUSIDOKSSA-N 2 1 398.595 3.687 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)C1CCCCC1 ZINC000497400027 891499077 /nfs/dbraw/zinc/49/90/77/891499077.db2.gz HYYVNIVQGWYUTE-AUSIDOKSSA-N 2 1 398.595 3.687 20 0 GHADMP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128274803 891559172 /nfs/dbraw/zinc/55/91/72/891559172.db2.gz ANADVNKVQIPZIZ-MRXNPFEDSA-N 2 1 390.572 3.936 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)s1 ZINC000813786906 891974684 /nfs/dbraw/zinc/97/46/84/891974684.db2.gz UPPOAQKUYMOGCV-OAHLLOKOSA-N 2 1 394.585 3.617 20 0 GHADMP FC(F)(F)CN1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000813790579 891978607 /nfs/dbraw/zinc/97/86/07/891978607.db2.gz RNIXEWSSRVVWOK-UMQXSMKFSA-N 2 1 381.486 3.798 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262289805 892256528 /nfs/dbraw/zinc/25/65/28/892256528.db2.gz MUYFRMAEUAAFHE-NVWZTNFUSA-N 2 1 383.580 3.831 20 0 GHADMP CC(C)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000497821670 892504710 /nfs/dbraw/zinc/50/47/10/892504710.db2.gz JIFTUEJNDDASJK-XZOQPEGZSA-N 2 1 384.543 3.886 20 0 GHADMP CC(C)[C@H](C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000497832156 892547838 /nfs/dbraw/zinc/54/78/38/892547838.db2.gz NXUWJTOZSRFLRL-XUZZJYLKSA-N 2 1 392.547 3.779 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000875477841 892635511 /nfs/dbraw/zinc/63/55/11/892635511.db2.gz RMGKXDQWCYXTDW-TZIWHRDSSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H](NCc1cccnc1OCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714352 892792318 /nfs/dbraw/zinc/79/23/18/892792318.db2.gz HABRJOQURQJYNU-LPHOPBHVSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H]([NH2+]Cc1cccnc1OCC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508714352 892792329 /nfs/dbraw/zinc/79/23/29/892792329.db2.gz HABRJOQURQJYNU-LPHOPBHVSA-N 2 1 375.463 3.726 20 0 GHADMP C[C@H]([NH2+]Cc1cccnc1OCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508714352 892792339 /nfs/dbraw/zinc/79/23/39/892792339.db2.gz HABRJOQURQJYNU-LPHOPBHVSA-N 2 1 375.463 3.726 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711312 892819676 /nfs/dbraw/zinc/81/96/76/892819676.db2.gz OTOZLQSQLBPKTG-HTDNTCHWSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711312 892819697 /nfs/dbraw/zinc/81/96/97/892819697.db2.gz OTOZLQSQLBPKTG-HTDNTCHWSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711312 892819718 /nfs/dbraw/zinc/81/97/18/892819718.db2.gz OTOZLQSQLBPKTG-HTDNTCHWSA-N 2 1 387.612 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711312 892819736 /nfs/dbraw/zinc/81/97/36/892819736.db2.gz OTOZLQSQLBPKTG-HTDNTCHWSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711312 892819748 /nfs/dbraw/zinc/81/97/48/892819748.db2.gz OTOZLQSQLBPKTG-HTDNTCHWSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711312 892819765 /nfs/dbraw/zinc/81/97/65/892819765.db2.gz OTOZLQSQLBPKTG-HTDNTCHWSA-N 3 1 387.612 3.624 20 0 GHADMP CCOCCC[NH+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000508711312 892819784 /nfs/dbraw/zinc/81/97/84/892819784.db2.gz OTOZLQSQLBPKTG-HTDNTCHWSA-N 3 1 387.612 3.624 20 0 GHADMP O=C(c1ccc(-n2ccnc2)cc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288246790 913705331 /nfs/dbraw/zinc/70/53/31/913705331.db2.gz FXTMZOWNHLZKNB-XMMPIXPASA-N 2 1 386.499 3.611 20 0 GHADMP COC1([C@@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CCCC1 ZINC000421827014 892882839 /nfs/dbraw/zinc/88/28/39/892882839.db2.gz VXVHCAXPVZDPFX-LJQANCHMSA-N 2 1 390.568 3.614 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000645154160 913713686 /nfs/dbraw/zinc/71/36/86/913713686.db2.gz VFXAKKXPCNFYTR-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000645154160 913713701 /nfs/dbraw/zinc/71/37/01/913713701.db2.gz VFXAKKXPCNFYTR-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000645154160 913713710 /nfs/dbraw/zinc/71/37/10/913713710.db2.gz VFXAKKXPCNFYTR-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000876719748 893301635 /nfs/dbraw/zinc/30/16/35/893301635.db2.gz UIFFUYMHPVWYII-GHTZIAJQSA-N 2 1 395.551 3.743 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000533891574 893416633 /nfs/dbraw/zinc/41/66/33/893416633.db2.gz DAYCCDJPKJMWDF-XZOQPEGZSA-N 2 1 394.563 3.773 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@H](C)C1 ZINC000459411033 893472934 /nfs/dbraw/zinc/47/29/34/893472934.db2.gz IOKLWLUMBRYSBP-CRAIPNDOSA-N 2 1 390.597 3.808 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nc3scc(C4CC4)n23)[C@H](C)C1 ZINC000459411033 893472945 /nfs/dbraw/zinc/47/29/45/893472945.db2.gz IOKLWLUMBRYSBP-CRAIPNDOSA-N 2 1 390.597 3.808 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000536695845 893563579 /nfs/dbraw/zinc/56/35/79/893563579.db2.gz AVZXXWDGWUMZEY-QHCPKHFHSA-N 2 1 398.595 3.789 20 0 GHADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000536714348 893590735 /nfs/dbraw/zinc/59/07/35/893590735.db2.gz XDXVGIMYGFFCOJ-XQBPLPMBSA-N 2 1 386.584 3.561 20 0 GHADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cnc4ccc(Cl)cn34)CC2)C[C@@H](C)O1 ZINC000536710046 893616813 /nfs/dbraw/zinc/61/68/13/893616813.db2.gz JEHCXXGETVPHSU-IAGOWNOFSA-N 2 1 390.959 3.699 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(OC)cccc3SC)CC2)CC1 ZINC000563406682 893698594 /nfs/dbraw/zinc/69/85/94/893698594.db2.gz AWLXNQCYKPJDIN-UHFFFAOYSA-N 2 1 391.581 3.552 20 0 GHADMP CS(=O)(=O)CCC[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459533366 893749477 /nfs/dbraw/zinc/74/94/77/893749477.db2.gz XPCCWXFPNUXAQK-QFIPXVFZSA-N 2 1 392.609 3.578 20 0 GHADMP CS(=O)(=O)CCC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459533366 893749484 /nfs/dbraw/zinc/74/94/84/893749484.db2.gz XPCCWXFPNUXAQK-QFIPXVFZSA-N 2 1 392.609 3.578 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000126677966 893774913 /nfs/dbraw/zinc/77/49/13/893774913.db2.gz YHRXNDNWQAOMLH-QHCPKHFHSA-N 2 1 379.548 3.610 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536936498 894120035 /nfs/dbraw/zinc/12/00/35/894120035.db2.gz WRTCQEOWKUNUOZ-IXDOHACOSA-N 2 1 382.495 3.616 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536936498 894120046 /nfs/dbraw/zinc/12/00/46/894120046.db2.gz WRTCQEOWKUNUOZ-IXDOHACOSA-N 2 1 382.495 3.616 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000459735743 894128262 /nfs/dbraw/zinc/12/82/62/894128262.db2.gz PNSSNYIFHQPDGI-IBGZPJMESA-N 2 1 375.520 3.756 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1)CC(C)C ZINC000536980251 894192401 /nfs/dbraw/zinc/19/24/01/894192401.db2.gz ZLGNAMPLSRLJLZ-HXUWFJFHSA-N 2 1 392.588 3.672 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1)CC(C)C ZINC000536980251 894192410 /nfs/dbraw/zinc/19/24/10/894192410.db2.gz ZLGNAMPLSRLJLZ-HXUWFJFHSA-N 2 1 392.588 3.672 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459794965 894207668 /nfs/dbraw/zinc/20/76/68/894207668.db2.gz VCYPWDILVHPGGU-CABCVRRESA-N 2 1 387.446 3.624 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)cn2)C[C@@H](C)O1 ZINC000563818288 894221217 /nfs/dbraw/zinc/22/12/17/894221217.db2.gz KSNBFJXFUJKYEC-NNLJWKLDSA-N 2 1 394.563 3.620 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)cn2)C[C@@H](C)O1 ZINC000563818288 894221231 /nfs/dbraw/zinc/22/12/31/894221231.db2.gz KSNBFJXFUJKYEC-NNLJWKLDSA-N 2 1 394.563 3.620 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)cn2)C[C@H](C)O1 ZINC000563818287 894221623 /nfs/dbraw/zinc/22/16/23/894221623.db2.gz KSNBFJXFUJKYEC-IYRWYFENSA-N 2 1 394.563 3.620 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cn2)C[C@H](C)O1 ZINC000563818287 894221637 /nfs/dbraw/zinc/22/16/37/894221637.db2.gz KSNBFJXFUJKYEC-IYRWYFENSA-N 2 1 394.563 3.620 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000828011761 894260583 /nfs/dbraw/zinc/26/05/83/894260583.db2.gz UTIYCDAKUGJJRR-WOJBJXKFSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000828011761 894260594 /nfs/dbraw/zinc/26/05/94/894260594.db2.gz UTIYCDAKUGJJRR-WOJBJXKFSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000828011761 894260605 /nfs/dbraw/zinc/26/06/05/894260605.db2.gz UTIYCDAKUGJJRR-WOJBJXKFSA-N 2 1 379.589 3.830 20 0 GHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000563932972 894344199 /nfs/dbraw/zinc/34/41/99/894344199.db2.gz DYWRUICICFQENW-CNNODRBYSA-N 2 1 397.567 3.619 20 0 GHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000563932976 894344350 /nfs/dbraw/zinc/34/43/50/894344350.db2.gz DYWRUICICFQENW-IPJJNNNSSA-N 2 1 397.567 3.619 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC001135341520 894385954 /nfs/dbraw/zinc/38/59/54/894385954.db2.gz AURPHOKFIHSJSV-DEOSSOPVSA-N 2 1 391.559 3.519 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000645502732 913941261 /nfs/dbraw/zinc/94/12/61/913941261.db2.gz CQLHEXMOHHTFAW-LJQANCHMSA-N 2 1 394.563 3.717 20 0 GHADMP CC(C)C[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000879705020 895243789 /nfs/dbraw/zinc/24/37/89/895243789.db2.gz XWXZWRHJODHKOO-UHFFFAOYSA-N 2 1 376.932 3.789 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847234 895279711 /nfs/dbraw/zinc/27/97/11/895279711.db2.gz KZDGEAOOWBZLNU-URXFXBBRSA-N 2 1 396.575 3.864 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000564959975 895327659 /nfs/dbraw/zinc/32/76/59/895327659.db2.gz VQORJNJCABXTIQ-RJGXRXQPSA-N 2 1 394.563 3.910 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000564959975 895327673 /nfs/dbraw/zinc/32/76/73/895327673.db2.gz VQORJNJCABXTIQ-RJGXRXQPSA-N 2 1 394.563 3.910 20 0 GHADMP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000817275208 895459723 /nfs/dbraw/zinc/45/97/23/895459723.db2.gz XTGUURLJWXVHQO-LEWJYISDSA-N 2 1 386.561 3.668 20 0 GHADMP O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000817275208 895459727 /nfs/dbraw/zinc/45/97/27/895459727.db2.gz XTGUURLJWXVHQO-LEWJYISDSA-N 2 1 386.561 3.668 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000565312990 895524767 /nfs/dbraw/zinc/52/47/67/895524767.db2.gz ZMSCKXFRMPGPSA-PLMTUMEDSA-N 2 1 392.465 3.680 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000565312990 895524780 /nfs/dbraw/zinc/52/47/80/895524780.db2.gz ZMSCKXFRMPGPSA-PLMTUMEDSA-N 2 1 392.465 3.680 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3N3CCCCC3)CC2)CC1 ZINC000817414358 895590972 /nfs/dbraw/zinc/59/09/72/895590972.db2.gz XGPNBBQBXQWVCH-UHFFFAOYSA-N 2 1 384.612 3.669 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3nc4ccccc4c(=O)[nH]3)C2)s1 ZINC000565661822 895792095 /nfs/dbraw/zinc/79/20/95/895792095.db2.gz RCCFLKVEANSOON-QGZVFWFLSA-N 2 1 396.560 3.702 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCc3nc4ccccc4c(=O)[nH]3)C2)s1 ZINC000565661822 895792110 /nfs/dbraw/zinc/79/21/10/895792110.db2.gz RCCFLKVEANSOON-QGZVFWFLSA-N 2 1 396.560 3.702 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3nc4ccccc4c(=O)[nH]3)C2)s1 ZINC000565661822 895792129 /nfs/dbraw/zinc/79/21/29/895792129.db2.gz RCCFLKVEANSOON-QGZVFWFLSA-N 2 1 396.560 3.702 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2)Nc1ccccc1 ZINC000565780342 895871169 /nfs/dbraw/zinc/87/11/69/895871169.db2.gz RHMLYLBLWQTKFJ-JOCHJYFZSA-N 2 1 378.520 3.509 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1Cl ZINC001136033086 895933266 /nfs/dbraw/zinc/93/32/66/895933266.db2.gz BOLHIXWHSVHARY-PXNSSMCTSA-N 2 1 379.976 3.960 20 0 GHADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897498 895952909 /nfs/dbraw/zinc/95/29/09/895952909.db2.gz RAKKXNRRERFPMP-LADGPHEKSA-N 3 1 383.580 3.877 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC001136146853 896173679 /nfs/dbraw/zinc/17/36/79/896173679.db2.gz LJDCXLFQTDSKDJ-DHIUTWEWSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566244098 896196439 /nfs/dbraw/zinc/19/64/39/896196439.db2.gz BAJVIPXXOUFVQL-NDPMZMCLSA-N 2 1 389.849 3.745 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000566244098 896196448 /nfs/dbraw/zinc/19/64/48/896196448.db2.gz BAJVIPXXOUFVQL-NDPMZMCLSA-N 2 1 389.849 3.745 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000818980603 896300278 /nfs/dbraw/zinc/30/02/78/896300278.db2.gz MOWNHQYQGINGIK-CXAGYDPISA-N 2 1 389.765 3.632 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)[C@H]3C)CC2)CC1 ZINC000566441719 896315479 /nfs/dbraw/zinc/31/54/79/896315479.db2.gz JQXFAKORPIWNTO-AUSIDOKSSA-N 2 1 383.580 3.587 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000819077617 896390211 /nfs/dbraw/zinc/39/02/11/896390211.db2.gz BXXFBKFPQHQENG-LJQANCHMSA-N 2 1 394.563 3.896 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819283556 896527774 /nfs/dbraw/zinc/52/77/74/896527774.db2.gz KZCMLVSTYYMOLZ-UPVQGACJSA-N 2 1 382.548 3.545 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@]3(C)c3ccccc3)CC2)CC1 ZINC000882024155 896620975 /nfs/dbraw/zinc/62/09/75/896620975.db2.gz QOOZGTSJZSOPED-DEOSSOPVSA-N 2 1 383.580 3.721 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4ccccc4C(C)(C)C3)CC2)CC1 ZINC000567121391 896890179 /nfs/dbraw/zinc/89/01/79/896890179.db2.gz DMEAPVMKPMOWNJ-UHFFFAOYSA-N 2 1 383.580 3.503 20 0 GHADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000567137412 896903427 /nfs/dbraw/zinc/90/34/27/896903427.db2.gz IVVPBGBMLFACDD-CVEARBPZSA-N 2 1 378.476 3.867 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000567264474 897019761 /nfs/dbraw/zinc/01/97/61/897019761.db2.gz QZJQEAVHPKBDPN-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP CCOc1c(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000567471366 897185040 /nfs/dbraw/zinc/18/50/40/897185040.db2.gz JQZKIRPUVPGGFQ-CVEARBPZSA-N 2 1 397.357 3.678 20 0 GHADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000567563829 897254165 /nfs/dbraw/zinc/25/41/65/897254165.db2.gz LTESERCHKGUBRV-DHIUTWEWSA-N 2 1 383.580 3.622 20 0 GHADMP [NH3+]Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C(F)(F)F)c1 ZINC000567592593 897278086 /nfs/dbraw/zinc/27/80/86/897278086.db2.gz XJVFLMYEDBCQNW-KBXCAEBGSA-N 2 1 396.457 3.645 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(N3CCNC3=O)cc2)CC1 ZINC000883287147 897447465 /nfs/dbraw/zinc/44/74/65/897447465.db2.gz NDNVUDIJZHAWKA-UHFFFAOYSA-N 2 1 392.547 3.749 20 0 GHADMP Cn1cc(N2CCC[C@@H]([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)cn1 ZINC000820813024 897541679 /nfs/dbraw/zinc/54/16/79/897541679.db2.gz XCQCXWFGXFOZOY-GTCWDNOESA-N 2 1 393.579 3.564 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1 ZINC000289432301 914182573 /nfs/dbraw/zinc/18/25/73/914182573.db2.gz VVBIBRJIGMPODZ-UHFFFAOYSA-N 2 1 387.549 3.533 20 0 GHADMP CCN(CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000568804070 898114141 /nfs/dbraw/zinc/11/41/41/898114141.db2.gz DGDHVNILZFQDLD-PMACEKPBSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000568804070 898114150 /nfs/dbraw/zinc/11/41/50/898114150.db2.gz DGDHVNILZFQDLD-PMACEKPBSA-N 2 1 383.502 3.715 20 0 GHADMP CCN(CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000568804070 898114156 /nfs/dbraw/zinc/11/41/56/898114156.db2.gz DGDHVNILZFQDLD-PMACEKPBSA-N 2 1 383.502 3.715 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1OCC(F)F ZINC000289528851 914226947 /nfs/dbraw/zinc/22/69/47/914226947.db2.gz BSKSYZMRVZWFDR-OAHLLOKOSA-N 2 1 386.483 3.558 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OCC(F)F ZINC000289528851 914226958 /nfs/dbraw/zinc/22/69/58/914226958.db2.gz BSKSYZMRVZWFDR-OAHLLOKOSA-N 2 1 386.483 3.558 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC001136541682 898213387 /nfs/dbraw/zinc/21/33/87/898213387.db2.gz KGBUHHOVDZWGJW-AUSIDOKSSA-N 2 1 381.564 3.818 20 0 GHADMP O=C(CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000569767041 898936371 /nfs/dbraw/zinc/93/63/71/898936371.db2.gz MQGGKGJFMYQOQB-MRXNPFEDSA-N 2 1 379.342 3.830 20 0 GHADMP O=C(CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000569767041 898936379 /nfs/dbraw/zinc/93/63/79/898936379.db2.gz MQGGKGJFMYQOQB-MRXNPFEDSA-N 2 1 379.342 3.830 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)cc1 ZINC000569909176 899019077 /nfs/dbraw/zinc/01/90/77/899019077.db2.gz XFKRAJVIJJRLQH-NZQKXSOJSA-N 2 1 393.531 3.912 20 0 GHADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000569926407 899026589 /nfs/dbraw/zinc/02/65/89/899026589.db2.gz DEZAZBFBFVLSNB-OAQYLSRUSA-N 2 1 394.515 3.525 20 0 GHADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000569926407 899026604 /nfs/dbraw/zinc/02/66/04/899026604.db2.gz DEZAZBFBFVLSNB-OAQYLSRUSA-N 2 1 394.515 3.525 20 0 GHADMP O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289725192 914315235 /nfs/dbraw/zinc/31/52/35/914315235.db2.gz GJBNPJBCZZDYHQ-NRFANRHFSA-N 2 1 395.547 3.776 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171023186 899177451 /nfs/dbraw/zinc/17/74/51/899177451.db2.gz UIXFKPFLWSDQAW-VIZSFHNOSA-N 2 1 384.951 3.670 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171023186 899177458 /nfs/dbraw/zinc/17/74/58/899177458.db2.gz UIXFKPFLWSDQAW-VIZSFHNOSA-N 2 1 384.951 3.670 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000570281044 899240691 /nfs/dbraw/zinc/24/06/91/899240691.db2.gz RUTVZJXFAGUFTJ-WXYCVUISSA-N 2 1 380.414 3.876 20 0 GHADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000570281044 899240702 /nfs/dbraw/zinc/24/07/02/899240702.db2.gz RUTVZJXFAGUFTJ-WXYCVUISSA-N 2 1 380.414 3.876 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Br)nc1 ZINC000289752445 914329357 /nfs/dbraw/zinc/32/93/57/914329357.db2.gz MRJCLCGCPUEYPM-HNNXBMFYSA-N 2 1 390.325 3.527 20 0 GHADMP O=C(OCc1ccccc1)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000823979897 899340003 /nfs/dbraw/zinc/34/00/03/899340003.db2.gz UGGPKEFVGFGNCJ-UHFFFAOYSA-N 2 1 381.520 3.868 20 0 GHADMP O=C(OCc1ccccc1)c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c[nH]1 ZINC000823979043 899340912 /nfs/dbraw/zinc/34/09/12/899340912.db2.gz DMNNGOFSBLWJRA-UHFFFAOYSA-N 2 1 381.520 3.868 20 0 GHADMP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000570551689 899381305 /nfs/dbraw/zinc/38/13/05/899381305.db2.gz MFNNKQNNTCJPPU-HXUWFJFHSA-N 2 1 378.476 3.628 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)[C@H](C)c3ccccc3)CC2)cs1 ZINC000570564015 899393776 /nfs/dbraw/zinc/39/37/76/899393776.db2.gz FHDXYXWMIPXXMZ-UTKZUKDTSA-N 2 1 387.593 3.672 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(OC)c1OCC(F)F ZINC000289790646 914349702 /nfs/dbraw/zinc/34/97/02/914349702.db2.gz QQEHNALBDLHISX-UHFFFAOYSA-N 2 1 398.494 3.844 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000646249175 914352034 /nfs/dbraw/zinc/35/20/34/914352034.db2.gz OXXWFQPTNWWCIG-UEVCKROQSA-N 2 1 383.580 3.525 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000118868291 899489836 /nfs/dbraw/zinc/48/98/36/899489836.db2.gz QBUYOUNXSVFGFS-UHFFFAOYSA-N 2 1 391.865 3.961 20 0 GHADMP Cc1ccn2c(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cnc2c1 ZINC001136888866 899680603 /nfs/dbraw/zinc/68/06/03/899680603.db2.gz HWVWUBYKJRYUDZ-UHFFFAOYSA-N 2 1 375.520 3.526 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC001136935621 899807600 /nfs/dbraw/zinc/80/76/00/899807600.db2.gz LVRSAJAVYICWLU-NRFANRHFSA-N 2 1 382.495 3.653 20 0 GHADMP Cc1ccc2c(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c[nH]c2c1 ZINC001136969783 899920912 /nfs/dbraw/zinc/92/09/12/899920912.db2.gz BLTCURYDJQDMBH-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP Cc1ccc2c(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c[nH]c2c1 ZINC001136969783 899920922 /nfs/dbraw/zinc/92/09/22/899920922.db2.gz BLTCURYDJQDMBH-UHFFFAOYSA-N 2 1 379.504 3.936 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cs2)cc1 ZINC000571646216 899934533 /nfs/dbraw/zinc/93/45/33/899934533.db2.gz OLKJGFAKDQFCQH-PXNSSMCTSA-N 2 1 386.565 3.913 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)nc2)[C@H](C)C1 ZINC000289883184 914401423 /nfs/dbraw/zinc/40/14/23/914401423.db2.gz STDCTWGGFXDPQV-VYDXJSESSA-N 2 1 384.362 3.632 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(Br)nc2)[C@H](C)C1 ZINC000289883184 914401425 /nfs/dbraw/zinc/40/14/25/914401425.db2.gz STDCTWGGFXDPQV-VYDXJSESSA-N 2 1 384.362 3.632 20 0 GHADMP COC[C@@H]1CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693311 900252576 /nfs/dbraw/zinc/25/25/76/900252576.db2.gz LZGYTIKYNVXOEQ-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693311 900252589 /nfs/dbraw/zinc/25/25/89/900252589.db2.gz LZGYTIKYNVXOEQ-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP COC[C@@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@H](COC)CC3)c2)CC1 ZINC000572693311 900252602 /nfs/dbraw/zinc/25/26/02/900252602.db2.gz LZGYTIKYNVXOEQ-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000572869621 900298105 /nfs/dbraw/zinc/29/81/05/900298105.db2.gz FTZICVHNRFSKEB-IBGZPJMESA-N 2 1 376.928 3.710 20 0 GHADMP C[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572948613 900322452 /nfs/dbraw/zinc/32/24/52/900322452.db2.gz JRTYEXYULDKHMO-PXNSSMCTSA-N 2 1 384.495 3.735 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001143674421 900329141 /nfs/dbraw/zinc/32/91/41/900329141.db2.gz NRORQBFRFPHDGV-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP Cc1ccc(C(F)(F)F)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001143674421 900329145 /nfs/dbraw/zinc/32/91/45/900329145.db2.gz NRORQBFRFPHDGV-UHFFFAOYSA-N 2 1 392.469 3.864 20 0 GHADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573146316 900392633 /nfs/dbraw/zinc/39/26/33/900392633.db2.gz XTDYNCHPVRUYKJ-UXHICEINSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573146316 900392635 /nfs/dbraw/zinc/39/26/35/900392635.db2.gz XTDYNCHPVRUYKJ-UXHICEINSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573146316 900392638 /nfs/dbraw/zinc/39/26/38/900392638.db2.gz XTDYNCHPVRUYKJ-UXHICEINSA-N 2 1 384.593 3.943 20 0 GHADMP CCN(CC)c1ncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000573146316 900392640 /nfs/dbraw/zinc/39/26/40/900392640.db2.gz XTDYNCHPVRUYKJ-UXHICEINSA-N 2 1 384.593 3.943 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000646366654 914448067 /nfs/dbraw/zinc/44/80/67/914448067.db2.gz QBVAUIXPLUOYHO-XMMPIXPASA-N 2 1 391.559 3.780 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328173 900734287 /nfs/dbraw/zinc/73/42/87/900734287.db2.gz VGSAXCGQQSOWHH-NVXWUHKLSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328173 900734291 /nfs/dbraw/zinc/73/42/91/900734291.db2.gz VGSAXCGQQSOWHH-NVXWUHKLSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328173 900734295 /nfs/dbraw/zinc/73/42/95/900734295.db2.gz VGSAXCGQQSOWHH-NVXWUHKLSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328173 900734299 /nfs/dbraw/zinc/73/42/99/900734299.db2.gz VGSAXCGQQSOWHH-NVXWUHKLSA-N 2 1 381.586 3.723 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000574021378 900744815 /nfs/dbraw/zinc/74/48/15/900744815.db2.gz KLMURYNUYCYBLL-MISYRCLQSA-N 2 1 384.568 3.961 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120161 900751553 /nfs/dbraw/zinc/75/15/53/900751553.db2.gz DJOSEAUSQNOTSH-AKIFATBCSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120161 900751565 /nfs/dbraw/zinc/75/15/65/900751565.db2.gz DJOSEAUSQNOTSH-AKIFATBCSA-N 2 1 388.983 3.878 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3cc(Cl)ccc3C1)C2 ZINC001171120161 900751574 /nfs/dbraw/zinc/75/15/74/900751574.db2.gz DJOSEAUSQNOTSH-AKIFATBCSA-N 2 1 388.983 3.878 20 0 GHADMP CC(C)c1noc(C[NH+](C)[C@H]2CC[C@H]([N@H+](C)Cc3nc(C(C)C)no3)CC2)n1 ZINC000886394007 900979201 /nfs/dbraw/zinc/97/92/01/900979201.db2.gz LYLPHEZIVUQUDM-WKILWMFISA-N 2 1 390.532 3.574 20 0 GHADMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)c1 ZINC000574944656 901066739 /nfs/dbraw/zinc/06/67/39/901066739.db2.gz YUSKSBLCPBMFHR-UHFFFAOYSA-N 2 1 392.341 3.725 20 0 GHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccn2)c1C ZINC000574981312 901077662 /nfs/dbraw/zinc/07/76/62/901077662.db2.gz VZCDQUAXRWOHAF-QHAWAJNXSA-N 2 1 381.520 3.737 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000886504169 901091760 /nfs/dbraw/zinc/09/17/60/901091760.db2.gz TYRSVZCBKUPCBF-XLIONFOSSA-N 2 1 396.535 3.526 20 0 GHADMP Cc1[nH]c(C2CC[NH+](CCC(=O)N[C@H]3CCCc4ccccc43)CC2)[nH+]c1C ZINC000886668415 901217137 /nfs/dbraw/zinc/21/71/37/901217137.db2.gz SJGZMIOPTFPXTL-NRFANRHFSA-N 2 1 380.536 3.790 20 0 GHADMP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)O2 ZINC000886772006 901263654 /nfs/dbraw/zinc/26/36/54/901263654.db2.gz RGQWXTIUAWROHX-DEKPDKTDSA-N 2 1 384.564 3.744 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000575822262 901338699 /nfs/dbraw/zinc/33/86/99/901338699.db2.gz ITIXOMCXODZIIQ-IRXDYDNUSA-N 2 1 379.504 3.894 20 0 GHADMP CC[C@@H](C)Oc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000576556166 902094621 /nfs/dbraw/zinc/09/46/21/902094621.db2.gz RKKSBCPBLXXDRG-UYAOXDASSA-N 2 1 390.572 3.744 20 0 GHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000576977266 902399546 /nfs/dbraw/zinc/39/95/46/902399546.db2.gz DCBGSEPPFYUXNR-HRAATJIYSA-N 2 1 384.495 3.832 20 0 GHADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000576977266 902399559 /nfs/dbraw/zinc/39/95/59/902399559.db2.gz DCBGSEPPFYUXNR-HRAATJIYSA-N 2 1 384.495 3.832 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cnn(Cc2ccccc2)c1 ZINC000290334293 914632116 /nfs/dbraw/zinc/63/21/16/914632116.db2.gz PAFDQIBEEIRHLC-LJQANCHMSA-N 2 1 393.535 3.508 20 0 GHADMP C[C@@H]([NH2+]CCc1csc(N2CCCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577211664 902593593 /nfs/dbraw/zinc/59/35/93/902593593.db2.gz JJPBDFMZJYAZDK-QUCCMNQESA-N 2 1 384.593 3.786 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000779006682 902746847 /nfs/dbraw/zinc/74/68/47/902746847.db2.gz VBTJHJLWALGYFH-FGZHOGPDSA-N 2 1 399.579 3.996 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)C1 ZINC000779020021 902985227 /nfs/dbraw/zinc/98/52/27/902985227.db2.gz RHQCLYPAUSKEOD-HLAWJBBLSA-N 2 1 387.568 3.711 20 0 GHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000290438876 914682291 /nfs/dbraw/zinc/68/22/91/914682291.db2.gz VMONRIOJCINHQJ-NQIIRXRSSA-N 2 1 384.495 3.568 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000577790988 903196291 /nfs/dbraw/zinc/19/62/91/903196291.db2.gz XBTDLWNWJCTBMK-ROUUACIJSA-N 2 1 380.602 3.549 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 ZINC000779047528 903483547 /nfs/dbraw/zinc/48/35/47/903483547.db2.gz XIPSQDOZOYNOTL-VQTJNVASSA-N 2 1 384.524 3.574 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000578334192 903743901 /nfs/dbraw/zinc/74/39/01/903743901.db2.gz CIRHJHRDMPUHLG-IBGZPJMESA-N 2 1 375.900 3.522 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC12CCOCC2 ZINC000578506635 903915366 /nfs/dbraw/zinc/91/53/66/903915366.db2.gz TUFQSHJKVRJQAJ-KURNWNDPSA-N 2 1 392.543 3.966 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000646681175 914770793 /nfs/dbraw/zinc/77/07/93/914770793.db2.gz LGTIDEINMUMQLW-GGAORHGYSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000646681175 914770802 /nfs/dbraw/zinc/77/08/02/914770802.db2.gz LGTIDEINMUMQLW-GGAORHGYSA-N 2 1 385.596 3.569 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000646681175 914770812 /nfs/dbraw/zinc/77/08/12/914770812.db2.gz LGTIDEINMUMQLW-GGAORHGYSA-N 2 1 385.596 3.569 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)C1 ZINC001148520419 904091750 /nfs/dbraw/zinc/09/17/50/904091750.db2.gz RNGGMXRGXORTDG-FQEVSTJZSA-N 2 1 381.520 3.612 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000578927760 904231084 /nfs/dbraw/zinc/23/10/84/904231084.db2.gz LNELNXYUOBGAEL-LNLFQRSKSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000578927760 904231100 /nfs/dbraw/zinc/23/11/00/904231100.db2.gz LNELNXYUOBGAEL-LNLFQRSKSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000578927760 904231114 /nfs/dbraw/zinc/23/11/14/904231114.db2.gz LNELNXYUOBGAEL-LNLFQRSKSA-N 2 1 380.602 3.551 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000579110529 904356035 /nfs/dbraw/zinc/35/60/35/904356035.db2.gz NYFQUMJPDUGSGO-XNFNUYLZSA-N 2 1 395.950 3.886 20 0 GHADMP c1c2ccccc2oc1[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccnc1 ZINC000579462143 904627944 /nfs/dbraw/zinc/62/79/44/904627944.db2.gz JKTTZAXJHPZDMA-SLXFGWRHSA-N 2 1 390.531 3.723 20 0 GHADMP CCOC(=O)[C@H]([NH3+])Cc1cn(C2CC(C)(C)[NH+](C)C(C)(C)C2)c2ccccc12 ZINC001171621474 904887225 /nfs/dbraw/zinc/88/72/25/904887225.db2.gz LMKKQRUIHSESRY-LJQANCHMSA-N 2 1 385.552 3.898 20 0 GHADMP C[NH+]1C(C)(C)CC(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1(C)C ZINC001171638117 904927623 /nfs/dbraw/zinc/92/76/23/904927623.db2.gz RVXDBDSVKNSSJT-RXVVDRJESA-N 2 1 389.559 3.614 20 0 GHADMP CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640315 904930654 /nfs/dbraw/zinc/93/06/54/904930654.db2.gz BVLMKHXDLGPBER-QFIPXVFZSA-N 2 1 387.612 3.861 20 0 GHADMP COc1cccc(N([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001171760643 904994875 /nfs/dbraw/zinc/99/48/75/904994875.db2.gz YUEKVIKMZJXVIE-XXBNENTESA-N 2 1 379.548 3.917 20 0 GHADMP Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)c(C[NH+](C)C)c1 ZINC000646816195 914861669 /nfs/dbraw/zinc/86/16/69/914861669.db2.gz NDDHBMCXMYICJQ-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP Cc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)c(C[NH+](C)C)c1 ZINC000646816195 914861686 /nfs/dbraw/zinc/86/16/86/914861686.db2.gz NDDHBMCXMYICJQ-UHFFFAOYSA-N 2 1 376.504 3.778 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171739640 905024758 /nfs/dbraw/zinc/02/47/58/905024758.db2.gz QUFVBHKCXKIWQR-SIKLNZKXSA-N 2 1 379.548 3.608 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001171799354 905057930 /nfs/dbraw/zinc/05/79/30/905057930.db2.gz NUWYZKLOIRCADF-UEVCKROQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC001171799354 905057948 /nfs/dbraw/zinc/05/79/48/905057948.db2.gz NUWYZKLOIRCADF-UEVCKROQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C2CCCCC2)C1 ZINC001171799354 905057965 /nfs/dbraw/zinc/05/79/65/905057965.db2.gz NUWYZKLOIRCADF-UEVCKROQSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC001171962378 905169764 /nfs/dbraw/zinc/16/97/64/905169764.db2.gz CQDQXWKQPPJTAK-HKUYNNGSSA-N 2 1 375.557 3.932 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171974783 905219770 /nfs/dbraw/zinc/21/97/70/905219770.db2.gz AKWYJBSGPSHSLN-VABKMULXSA-N 3 1 385.596 3.663 20 0 GHADMP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CCN1Cc1ccccc1 ZINC001171974783 905219781 /nfs/dbraw/zinc/21/97/81/905219781.db2.gz AKWYJBSGPSHSLN-VABKMULXSA-N 2 1 385.596 3.663 20 0 GHADMP COC(=O)c1cccc(C(=[NH2+])N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974202 905220270 /nfs/dbraw/zinc/22/02/70/905220270.db2.gz DPDRYCAVAFQDFP-HXUWFJFHSA-N 2 1 379.504 3.831 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc(OC)c1O ZINC001171976264 905224122 /nfs/dbraw/zinc/22/41/22/905224122.db2.gz QSUKRZLLRSNIOX-IBGZPJMESA-N 2 1 384.520 3.942 20 0 GHADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc(OC)c1O ZINC001171976264 905224131 /nfs/dbraw/zinc/22/41/31/905224131.db2.gz QSUKRZLLRSNIOX-IBGZPJMESA-N 2 1 384.520 3.942 20 0 GHADMP CC(C)NC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977891 905225000 /nfs/dbraw/zinc/22/50/00/905225000.db2.gz DXMNGNLOTVGMRV-OAQYLSRUSA-N 2 1 386.584 3.602 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H](CO)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171984971 905240532 /nfs/dbraw/zinc/24/05/32/905240532.db2.gz ZIDKFRPYBMQXSA-PKTZIBPZSA-N 2 1 382.548 3.597 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H](CO)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171984971 905240547 /nfs/dbraw/zinc/24/05/47/905240547.db2.gz ZIDKFRPYBMQXSA-PKTZIBPZSA-N 2 1 382.548 3.597 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](Oc3cnccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985880 905245401 /nfs/dbraw/zinc/24/54/01/905245401.db2.gz CRJYCNZEDWCPLI-LEWJYISDSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](Oc3cnccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985880 905245413 /nfs/dbraw/zinc/24/54/13/905245413.db2.gz CRJYCNZEDWCPLI-LEWJYISDSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](Oc3cnccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985880 905245427 /nfs/dbraw/zinc/24/54/27/905245427.db2.gz CRJYCNZEDWCPLI-LEWJYISDSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](Oc3cnccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985880 905245441 /nfs/dbraw/zinc/24/54/41/905245441.db2.gz CRJYCNZEDWCPLI-LEWJYISDSA-N 2 1 380.536 3.763 20 0 GHADMP COc1cccc(O[C@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987179 905246662 /nfs/dbraw/zinc/24/66/62/905246662.db2.gz QOKDSVUHHGBBOM-RTWAWAEBSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987179 905246682 /nfs/dbraw/zinc/24/66/82/905246682.db2.gz QOKDSVUHHGBBOM-RTWAWAEBSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)n1 ZINC001171987179 905246696 /nfs/dbraw/zinc/24/66/96/905246696.db2.gz QOKDSVUHHGBBOM-RTWAWAEBSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc[nH+]c(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)CC2)c1 ZINC001171987224 905248670 /nfs/dbraw/zinc/24/86/70/905248670.db2.gz RTWOMYLZACIPHH-OAQYLSRUSA-N 2 1 394.563 3.655 20 0 GHADMP COc1cc[nH+]c(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)c1 ZINC001171987224 905248686 /nfs/dbraw/zinc/24/86/86/905248686.db2.gz RTWOMYLZACIPHH-OAQYLSRUSA-N 2 1 394.563 3.655 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172059605 905260405 /nfs/dbraw/zinc/26/04/05/905260405.db2.gz KAROZMYEBDPFFB-GOSISDBHSA-N 2 1 376.545 3.884 20 0 GHADMP O=C1NCc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cc21 ZINC001172073100 905276910 /nfs/dbraw/zinc/27/69/10/905276910.db2.gz OBTUAWRFMWEXRH-DKUWSORSSA-N 2 1 375.516 3.605 20 0 GHADMP O=C1NCc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc21 ZINC001172073100 905276924 /nfs/dbraw/zinc/27/69/24/905276924.db2.gz OBTUAWRFMWEXRH-DKUWSORSSA-N 2 1 375.516 3.605 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000174542834 905292993 /nfs/dbraw/zinc/29/29/93/905292993.db2.gz LFCRJIRCMBMXNE-JOCHJYFZSA-N 2 1 379.548 3.732 20 0 GHADMP Cc1nccnc1O[C@H]1CC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090978 905310962 /nfs/dbraw/zinc/31/09/62/905310962.db2.gz YXXRFPQNISXXAH-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090978 905310981 /nfs/dbraw/zinc/31/09/81/905310981.db2.gz YXXRFPQNISXXAH-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090978 905311003 /nfs/dbraw/zinc/31/10/03/905311003.db2.gz YXXRFPQNISXXAH-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1nccnc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090978 905311019 /nfs/dbraw/zinc/31/10/19/905311019.db2.gz YXXRFPQNISXXAH-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP c1ncn(C2CCOCC2)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067994 905333650 /nfs/dbraw/zinc/33/36/50/905333650.db2.gz IOLFPRMMWUMEKC-UADZTWIMSA-N 2 1 394.563 3.910 20 0 GHADMP c1ncn(C2CCOCC2)c1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067994 905333670 /nfs/dbraw/zinc/33/36/70/905333670.db2.gz IOLFPRMMWUMEKC-UADZTWIMSA-N 2 1 394.563 3.910 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc3nnc(-c4ccccc4F)n3c1)C2 ZINC001172108554 905356360 /nfs/dbraw/zinc/35/63/60/905356360.db2.gz BHPFNSBDVGCZMG-BCDXTJNWSA-N 2 1 379.483 3.640 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(S(=O)(=O)c3ccccc3)cc1)C2 ZINC001172112056 905358812 /nfs/dbraw/zinc/35/88/12/905358812.db2.gz ZZMNLJCXZLANLB-OWZKRDHZSA-N 2 1 384.545 3.624 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3c(F)cc(F)cc3F)CC1)C2 ZINC001172113880 905362168 /nfs/dbraw/zinc/36/21/68/905362168.db2.gz KBDPCVLSGZEZBK-BCDXTJNWSA-N 2 1 381.486 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3c(F)cc(F)cc3F)CC1)C2 ZINC001172113880 905362183 /nfs/dbraw/zinc/36/21/83/905362183.db2.gz KBDPCVLSGZEZBK-BCDXTJNWSA-N 2 1 381.486 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116871 905372432 /nfs/dbraw/zinc/37/24/32/905372432.db2.gz HCVWZEYUNWWQKM-HIUFNZKISA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116871 905372446 /nfs/dbraw/zinc/37/24/46/905372446.db2.gz HCVWZEYUNWWQKM-HIUFNZKISA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CCCN(C(=O)c1ccsc1)C3)C2 ZINC001172116871 905372462 /nfs/dbraw/zinc/37/24/62/905372462.db2.gz HCVWZEYUNWWQKM-HIUFNZKISA-N 2 1 387.593 3.692 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COc3ccccn3)CC1)C2 ZINC001172118308 905374495 /nfs/dbraw/zinc/37/44/95/905374495.db2.gz VAGMCPQXCZKQRT-YUMYIRISSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@@H]3COc3ccccn3)CC1)C2 ZINC001172118308 905374513 /nfs/dbraw/zinc/37/45/13/905374513.db2.gz VAGMCPQXCZKQRT-YUMYIRISSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COc3cccnc3)CC1)C2 ZINC001172118731 905375063 /nfs/dbraw/zinc/37/50/63/905375063.db2.gz YDTQMCJBPVBHKY-KJJMTIBFSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CCOC[C@H]3COc3cccnc3)CC1)C2 ZINC001172118731 905375076 /nfs/dbraw/zinc/37/50/76/905375076.db2.gz YDTQMCJBPVBHKY-KJJMTIBFSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172121909 905382328 /nfs/dbraw/zinc/38/23/28/905382328.db2.gz VJKPQRPHNAKBCQ-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172121909 905382344 /nfs/dbraw/zinc/38/23/44/905382344.db2.gz VJKPQRPHNAKBCQ-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172121909 905382361 /nfs/dbraw/zinc/38/23/61/905382361.db2.gz VJKPQRPHNAKBCQ-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172528786 905589971 /nfs/dbraw/zinc/58/99/71/905589971.db2.gz SLIHRNNANYPTRG-QNWVGRARSA-N 2 1 383.580 3.734 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001172528786 905590003 /nfs/dbraw/zinc/59/00/03/905590003.db2.gz SLIHRNNANYPTRG-QNWVGRARSA-N 2 1 383.580 3.734 20 0 GHADMP CCCC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)CCN1C(=O)OC(C)(C)C ZINC001172634336 905696131 /nfs/dbraw/zinc/69/61/31/905696131.db2.gz HCFSETVHBWIGTI-UXHICEINSA-N 2 1 397.604 3.645 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172680886 905762266 /nfs/dbraw/zinc/76/22/66/905762266.db2.gz WKKKVWQTABBDFY-XMMPIXPASA-N 2 1 391.559 3.774 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826512 905856676 /nfs/dbraw/zinc/85/66/76/905856676.db2.gz CITVDYVKAMKIDW-OFNKIYASSA-N 2 1 384.564 3.592 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826512 905856683 /nfs/dbraw/zinc/85/66/83/905856683.db2.gz CITVDYVKAMKIDW-OFNKIYASSA-N 2 1 384.564 3.592 20 0 GHADMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172954046 906058472 /nfs/dbraw/zinc/05/84/72/906058472.db2.gz KNILTZASEDQYIF-BJLQDIEVSA-N 2 1 390.572 3.799 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001173111530 906198679 /nfs/dbraw/zinc/19/86/79/906198679.db2.gz GUCMYFKASYAKHW-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(C2CCC(Oc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001173201467 906284493 /nfs/dbraw/zinc/28/44/93/906284493.db2.gz FDULFBVRBPPSMR-UHFFFAOYSA-N 2 1 382.552 3.932 20 0 GHADMP CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001173244804 906332259 /nfs/dbraw/zinc/33/22/59/906332259.db2.gz JACOAEQQULUXRL-NIJXNBFTSA-N 2 1 393.575 3.798 20 0 GHADMP COC(=O)CCCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001173451681 906491811 /nfs/dbraw/zinc/49/18/11/906491811.db2.gz RDCRMNQKLBCKNR-KRWDZBQOSA-N 2 1 391.556 3.844 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cn1 ZINC000180070630 906680989 /nfs/dbraw/zinc/68/09/89/906680989.db2.gz OUJGCXBXEGUZNE-YQQQUEKLSA-N 2 1 397.523 3.596 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000180641190 906807380 /nfs/dbraw/zinc/80/73/80/906807380.db2.gz DNVSRVRCJVCKOO-BEFAXECRSA-N 2 1 376.447 3.705 20 0 GHADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1C ZINC000180738290 906832117 /nfs/dbraw/zinc/83/21/17/906832117.db2.gz VQBGIBJPSMPSPK-LJQANCHMSA-N 2 1 387.568 3.645 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629561302 906868985 /nfs/dbraw/zinc/86/89/85/906868985.db2.gz IGBCSCWJQGIAEN-DOMZBBRYSA-N 2 1 384.364 3.933 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@@H]1C(F)(F)F ZINC000629561302 906868998 /nfs/dbraw/zinc/86/89/98/906868998.db2.gz IGBCSCWJQGIAEN-DOMZBBRYSA-N 2 1 384.364 3.933 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000181809206 907084073 /nfs/dbraw/zinc/08/40/73/907084073.db2.gz ZGTYZOGNCUMJAC-RXVVDRJESA-N 2 1 388.515 3.880 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001175361024 907517873 /nfs/dbraw/zinc/51/78/73/907517873.db2.gz FCSCODPNZZIYFZ-CTNGQTDRSA-N 2 1 377.573 3.726 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001175361024 907517889 /nfs/dbraw/zinc/51/78/89/907517889.db2.gz FCSCODPNZZIYFZ-CTNGQTDRSA-N 2 1 377.573 3.726 20 0 GHADMP c1ccc(C[N@@H+]2CC=C(Nc3ccc(CC[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001175506566 907592985 /nfs/dbraw/zinc/59/29/85/907592985.db2.gz GQTMXZVSFLKRCV-UHFFFAOYSA-N 2 1 377.532 3.763 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc2C1 ZINC000631664117 907795799 /nfs/dbraw/zinc/79/57/99/907795799.db2.gz LXXGGSXZSNKRND-QXWFJRNPSA-N 2 1 391.559 3.838 20 0 GHADMP C[NH+]1CCC(COc2ccc(Nc3cccc(C[NH+]4CCOCC4)c3)cc2)CC1 ZINC001175863775 907804193 /nfs/dbraw/zinc/80/41/93/907804193.db2.gz PTCBOILHHRRFOU-UHFFFAOYSA-N 2 1 395.547 3.983 20 0 GHADMP COC(=O)CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001175870374 907808398 /nfs/dbraw/zinc/80/83/98/907808398.db2.gz GAYOFKPRPQIVRX-QHCPKHFHSA-N 2 1 386.580 3.996 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000185671184 907810482 /nfs/dbraw/zinc/81/04/82/907810482.db2.gz UCOPKHCXUYUORR-UFYCRDLUSA-N 2 1 398.595 3.856 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000185671184 907810495 /nfs/dbraw/zinc/81/04/95/907810495.db2.gz UCOPKHCXUYUORR-UFYCRDLUSA-N 2 1 398.595 3.856 20 0 GHADMP COc1ccccc1[C@H]1CSCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC001175946371 907858412 /nfs/dbraw/zinc/85/84/12/907858412.db2.gz IVIPCGCDFSCLRW-OAQYLSRUSA-N 2 1 391.625 3.591 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192766898 907886552 /nfs/dbraw/zinc/88/65/52/907886552.db2.gz LKPGCBIDLJSMPH-UHFFFAOYSA-N 2 1 384.524 3.562 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192766898 907886563 /nfs/dbraw/zinc/88/65/63/907886563.db2.gz LKPGCBIDLJSMPH-UHFFFAOYSA-N 2 1 384.524 3.562 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2c(C)cccc2C)CC1 ZINC001176555598 908174055 /nfs/dbraw/zinc/17/40/55/908174055.db2.gz NNTWGFFEPRAPIE-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2c(C)cccc2C)CC1 ZINC001176555598 908174057 /nfs/dbraw/zinc/17/40/57/908174057.db2.gz NNTWGFFEPRAPIE-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2c(C)cccc2C)CC1 ZINC001176555598 908174060 /nfs/dbraw/zinc/17/40/60/908174060.db2.gz NNTWGFFEPRAPIE-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2c(C)cccc2C)CC1 ZINC001176555598 908174061 /nfs/dbraw/zinc/17/40/61/908174061.db2.gz NNTWGFFEPRAPIE-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP CCOC(=O)N[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)CC(C)C ZINC001177240691 908479477 /nfs/dbraw/zinc/47/94/77/908479477.db2.gz QSLQJVBUCIPMTJ-OAQYLSRUSA-N 2 1 393.547 3.583 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC001178290830 908989482 /nfs/dbraw/zinc/98/94/82/908989482.db2.gz NSDPBTSWTXGYQZ-MRXNPFEDSA-N 2 1 395.366 3.757 20 0 GHADMP Cc1nccn1CCCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000299592140 921489673 /nfs/dbraw/zinc/48/96/73/921489673.db2.gz FVWHWPCAALARGL-UHFFFAOYSA-N 2 1 376.504 3.644 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000299592140 921489683 /nfs/dbraw/zinc/48/96/83/921489683.db2.gz FVWHWPCAALARGL-UHFFFAOYSA-N 2 1 376.504 3.644 20 0 GHADMP COCCOC[C@@H]1CC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001179854349 909771013 /nfs/dbraw/zinc/77/10/13/909771013.db2.gz FGWUPRNXNJGJKA-VWNXMTODSA-N 2 1 388.596 3.910 20 0 GHADMP COCCOC[C@@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001179854349 909771020 /nfs/dbraw/zinc/77/10/20/909771020.db2.gz FGWUPRNXNJGJKA-VWNXMTODSA-N 2 1 388.596 3.910 20 0 GHADMP COCCOC[C@@H]1CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001179854349 909771028 /nfs/dbraw/zinc/77/10/28/909771028.db2.gz FGWUPRNXNJGJKA-VWNXMTODSA-N 2 1 388.596 3.910 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC001179924064 909808725 /nfs/dbraw/zinc/80/87/25/909808725.db2.gz BPRCHFMBEZHLSZ-JXHRLWIKSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001179924064 909808740 /nfs/dbraw/zinc/80/87/40/909808740.db2.gz BPRCHFMBEZHLSZ-JXHRLWIKSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001179924064 909808757 /nfs/dbraw/zinc/80/87/57/909808757.db2.gz BPRCHFMBEZHLSZ-JXHRLWIKSA-N 2 1 391.600 3.972 20 0 GHADMP C[N@H+](Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CCC[NH+](C)C1 ZINC001179994138 909858513 /nfs/dbraw/zinc/85/85/13/909858513.db2.gz WEZQAXSVPCYPSM-LJQANCHMSA-N 2 1 387.568 3.753 20 0 GHADMP C[NH+](Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CCC[N@H+](C)C1 ZINC001179994138 909858519 /nfs/dbraw/zinc/85/85/19/909858519.db2.gz WEZQAXSVPCYPSM-LJQANCHMSA-N 2 1 387.568 3.753 20 0 GHADMP C[NH+](Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC001179994138 909858529 /nfs/dbraw/zinc/85/85/29/909858529.db2.gz WEZQAXSVPCYPSM-LJQANCHMSA-N 2 1 387.568 3.753 20 0 GHADMP [NH3+]C1(CC(=O)N[C@@H]2CCSc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000637884234 909995559 /nfs/dbraw/zinc/99/55/59/909995559.db2.gz VMMCEWAUVGFKRM-HXUWFJFHSA-N 2 1 395.572 3.723 20 0 GHADMP COC(=O)COc1ccccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001180225187 910023549 /nfs/dbraw/zinc/02/35/49/910023549.db2.gz PGKKIZYNOZPHIG-LJQANCHMSA-N 2 1 388.552 3.715 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268821139 910032721 /nfs/dbraw/zinc/03/27/21/910032721.db2.gz LSPZSHSNDRVQPR-GBXCKJPGSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268821139 910032736 /nfs/dbraw/zinc/03/27/36/910032736.db2.gz LSPZSHSNDRVQPR-GBXCKJPGSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000268822919 910034442 /nfs/dbraw/zinc/03/44/42/910034442.db2.gz YDCIEHIAXYDFOJ-YKSBVNFPSA-N 2 1 391.559 3.809 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1F ZINC000638403209 910148481 /nfs/dbraw/zinc/14/84/81/910148481.db2.gz INEHQRBRCHHLHZ-GCJKJVERSA-N 2 1 381.495 3.513 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccccc1F ZINC000638403209 910148490 /nfs/dbraw/zinc/14/84/90/910148490.db2.gz INEHQRBRCHHLHZ-GCJKJVERSA-N 2 1 381.495 3.513 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000638562804 910192171 /nfs/dbraw/zinc/19/21/71/910192171.db2.gz ZLISTJZDANJDRU-ZWKOTPCHSA-N 2 1 385.474 3.516 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000269250051 910195194 /nfs/dbraw/zinc/19/51/94/910195194.db2.gz OOPAEBCDLWQXFV-PMACEKPBSA-N 2 1 396.579 3.717 20 0 GHADMP CN1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000638588287 910197444 /nfs/dbraw/zinc/19/74/44/910197444.db2.gz KQCFFKGEJJLLRN-LZQZEXGQSA-N 2 1 380.374 3.516 20 0 GHADMP c1ccc([C@H]2C[C@H](NCC3([NH+]4CCCCC4)CCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000638865258 910257785 /nfs/dbraw/zinc/25/77/85/910257785.db2.gz YQSKGRJUSKMWBK-ISKFKSNPSA-N 2 1 397.607 3.979 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001181258132 910692138 /nfs/dbraw/zinc/69/21/38/910692138.db2.gz YJASAGFRTRHCCA-UHFFFAOYSA-N 2 1 390.572 3.950 20 0 GHADMP COc1ccc(OCc2nc(CN(C)CCCn3cc[nH+]c3C)cs2)cc1 ZINC000271050677 910768297 /nfs/dbraw/zinc/76/82/97/910768297.db2.gz XBFCQSGBWLVUKO-UHFFFAOYSA-N 2 1 386.521 3.758 20 0 GHADMP O=C(N1CCCC[C@@H]1C[NH+]1CCCC1)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181490730 910792258 /nfs/dbraw/zinc/79/22/58/910792258.db2.gz OPMDHRZAQNUBOH-XERBYJISSA-N 2 1 381.564 3.518 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](C)c1cccc(Br)c1 ZINC001181489075 910792371 /nfs/dbraw/zinc/79/23/71/910792371.db2.gz VWDDMVVRYWVJCC-PXNSSMCTSA-N 2 1 396.417 3.901 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCN(c3cc[nH+]cc3)CC2)cc1)C(C)C ZINC000640450345 911031698 /nfs/dbraw/zinc/03/16/98/911031698.db2.gz RRIUUSVBXOANQJ-UHFFFAOYSA-N 2 1 380.536 3.664 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC001182002410 911120624 /nfs/dbraw/zinc/12/06/24/911120624.db2.gz YXOSUDQSPQWFAE-LJQANCHMSA-N 2 1 397.485 3.660 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N1CCCc2ccc(C[NH3+])nc21)c1ccccc1 ZINC001182237344 911286663 /nfs/dbraw/zinc/28/66/63/911286663.db2.gz QHAVQAGTLBKSQC-NRFANRHFSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001182317634 911446572 /nfs/dbraw/zinc/44/65/72/911446572.db2.gz QCFVWEBIFMXXJD-FGZHOGPDSA-N 2 1 393.531 3.590 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3C)C2)C1 ZINC001182317634 911446583 /nfs/dbraw/zinc/44/65/83/911446583.db2.gz QCFVWEBIFMXXJD-FGZHOGPDSA-N 2 1 393.531 3.590 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCC([NH3+])(CC3CCC3)CC2)C1 ZINC001182346021 911520122 /nfs/dbraw/zinc/52/01/22/911520122.db2.gz QBKGJTKPMKCVGK-QFIPXVFZSA-N 2 1 383.580 3.717 20 0 GHADMP CCC[NH+]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2Cl)CC1 ZINC000774284795 911628878 /nfs/dbraw/zinc/62/88/78/911628878.db2.gz UWIUOKITSWVTAG-YQQQUEKLSA-N 2 1 376.976 3.909 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC001182569409 911874840 /nfs/dbraw/zinc/87/48/40/911874840.db2.gz OZJLUPNXCZQXDA-XPWALMASSA-N 2 1 385.596 3.770 20 0 GHADMP C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001299399140 912021631 /nfs/dbraw/zinc/02/16/31/912021631.db2.gz QRAXZVYYTXUDIF-HYBUGGRVSA-N 2 1 391.559 3.503 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C1 ZINC001182939777 912172589 /nfs/dbraw/zinc/17/25/89/912172589.db2.gz VMPSMDAWUCZUAB-URXFXBBRSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C1 ZINC001182939777 912172601 /nfs/dbraw/zinc/17/26/01/912172601.db2.gz VMPSMDAWUCZUAB-URXFXBBRSA-N 2 1 393.575 3.924 20 0 GHADMP FC(F)(F)CCN1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000291016725 914917610 /nfs/dbraw/zinc/91/76/10/914917610.db2.gz BWCFXEWFRDLLGH-UHFFFAOYSA-N 2 1 383.502 3.700 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647171310 915066522 /nfs/dbraw/zinc/06/65/22/915066522.db2.gz FLXIFSDZWNWYIL-NRFANRHFSA-N 2 1 383.580 3.810 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647171310 915066537 /nfs/dbraw/zinc/06/65/37/915066537.db2.gz FLXIFSDZWNWYIL-NRFANRHFSA-N 2 1 383.580 3.810 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1)C1CCOCC1 ZINC000647178779 915071818 /nfs/dbraw/zinc/07/18/18/915071818.db2.gz JJKMJEXKOAXCSO-UHFFFAOYSA-N 2 1 382.495 3.844 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001187293792 915153624 /nfs/dbraw/zinc/15/36/24/915153624.db2.gz SFOUWMNEVPGKOR-RPWUZVMVSA-N 2 1 391.559 3.732 20 0 GHADMP CC[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(=O)NCc1cccs1 ZINC000647333848 915157272 /nfs/dbraw/zinc/15/72/72/915157272.db2.gz APFLROGTAJIIFB-XMSQKQJNSA-N 2 1 399.604 3.828 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C[C@H]4CCc5ccccc54)CC3)C2)cc1 ZINC000796384483 915364180 /nfs/dbraw/zinc/36/41/80/915364180.db2.gz OMMDPDMZBHIOKW-DNQXCXABSA-N 2 1 375.560 3.609 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000648715363 915830901 /nfs/dbraw/zinc/83/09/01/915830901.db2.gz UERSBYOFHVSEMU-GHTZIAJQSA-N 2 1 398.551 3.749 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000648760577 915868945 /nfs/dbraw/zinc/86/89/45/915868945.db2.gz DOMKUVNXAUPRME-IBGZPJMESA-N 2 1 382.552 3.945 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000648807015 915889164 /nfs/dbraw/zinc/88/91/64/915889164.db2.gz JGSIUGXPEIAYKZ-RDPSFJRHSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000648807015 915889181 /nfs/dbraw/zinc/88/91/81/915889181.db2.gz JGSIUGXPEIAYKZ-RDPSFJRHSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000648894340 915928042 /nfs/dbraw/zinc/92/80/42/915928042.db2.gz XYYOICRJTKEWDV-ICSRJNTNSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000648894340 915928053 /nfs/dbraw/zinc/92/80/53/915928053.db2.gz XYYOICRJTKEWDV-ICSRJNTNSA-N 2 1 382.552 3.814 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000649340988 916105725 /nfs/dbraw/zinc/10/57/25/916105725.db2.gz FJYNVDLFORWCEF-RXVVDRJESA-N 2 1 397.588 3.569 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)o1 ZINC000649360246 916113090 /nfs/dbraw/zinc/11/30/90/916113090.db2.gz WCUIRFGKZQPIIL-GOSISDBHSA-N 2 1 375.900 3.562 20 0 GHADMP CC(C)O[C@@H]1CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@H](OC(C)C)C3)c2)C1 ZINC000649703878 916344331 /nfs/dbraw/zinc/34/43/31/916344331.db2.gz OVASSHGJUYPBTP-ZRZAMGCNSA-N 2 1 389.584 3.860 20 0 GHADMP CC(C)O[C@@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](OC(C)C)C3)c2)C1 ZINC000649703878 916344350 /nfs/dbraw/zinc/34/43/50/916344350.db2.gz OVASSHGJUYPBTP-ZRZAMGCNSA-N 2 1 389.584 3.860 20 0 GHADMP CC(C)O[C@@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@H](OC(C)C)C3)c2)C1 ZINC000649703878 916344370 /nfs/dbraw/zinc/34/43/70/916344370.db2.gz OVASSHGJUYPBTP-ZRZAMGCNSA-N 2 1 389.584 3.860 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650416998 916968507 /nfs/dbraw/zinc/96/85/07/916968507.db2.gz IVYHYOFEPCZHJZ-GOSISDBHSA-N 2 1 390.597 3.680 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OCC ZINC000650705628 917241890 /nfs/dbraw/zinc/24/18/90/917241890.db2.gz OMFSGLPJCCFZRB-IRFCIJBXSA-N 2 1 376.541 3.592 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c(Cl)c2)C1 ZINC000650723156 917250721 /nfs/dbraw/zinc/25/07/21/917250721.db2.gz ICPHZRFSLKPPLF-COXVUDFISA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c(Cl)c2)C1 ZINC000650723156 917250728 /nfs/dbraw/zinc/25/07/28/917250728.db2.gz ICPHZRFSLKPPLF-COXVUDFISA-N 2 1 387.749 3.963 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000651231368 917534501 /nfs/dbraw/zinc/53/45/01/917534501.db2.gz YZVORJKFAZVNRV-PZJWPPBQSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000295875485 917567122 /nfs/dbraw/zinc/56/71/22/917567122.db2.gz CYOBUCASRBJIHX-VXKWHMMOSA-N 2 1 394.987 3.814 20 0 GHADMP CC(C)(C)OC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191100006 917755134 /nfs/dbraw/zinc/75/51/34/917755134.db2.gz QLWPFVVTZNYBLF-LJQANCHMSA-N 2 1 388.552 3.971 20 0 GHADMP CC(C)(C)OC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191100006 917755141 /nfs/dbraw/zinc/75/51/41/917755141.db2.gz QLWPFVVTZNYBLF-LJQANCHMSA-N 2 1 388.552 3.971 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(-c3nncnn3)cc2)CC1 ZINC000652035817 917780584 /nfs/dbraw/zinc/78/05/84/917780584.db2.gz IUUUEYGNXIASGB-UHFFFAOYSA-N 2 1 382.556 3.702 20 0 GHADMP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)cc1OC ZINC000652355636 917879173 /nfs/dbraw/zinc/87/91/73/917879173.db2.gz BQCNSAIYIIFQTM-YOEHRIQHSA-N 2 1 375.538 3.777 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cs2)cc1OC ZINC000652355636 917879178 /nfs/dbraw/zinc/87/91/78/917879178.db2.gz BQCNSAIYIIFQTM-YOEHRIQHSA-N 2 1 375.538 3.777 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000652362915 917882537 /nfs/dbraw/zinc/88/25/37/917882537.db2.gz SPPZQFKQVIATQE-PUHATCMVSA-N 2 1 393.531 3.800 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000652361983 917883289 /nfs/dbraw/zinc/88/32/89/917883289.db2.gz VBQAUTKIHIUWJE-QRQLOZEOSA-N 2 1 375.900 3.856 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000363372404 918166205 /nfs/dbraw/zinc/16/62/05/918166205.db2.gz WVKQBTXSSBDTPK-GJZGRUSLSA-N 2 1 383.330 3.573 20 0 GHADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000363372404 918166215 /nfs/dbraw/zinc/16/62/15/918166215.db2.gz WVKQBTXSSBDTPK-GJZGRUSLSA-N 2 1 383.330 3.573 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296637645 918524368 /nfs/dbraw/zinc/52/43/68/918524368.db2.gz DUBUCIYJLYQHFY-OAQYLSRUSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001275869738 919041617 /nfs/dbraw/zinc/04/16/17/919041617.db2.gz WRHVFLWFQJXNMZ-XUZZJYLKSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001275869738 919041699 /nfs/dbraw/zinc/04/16/99/919041699.db2.gz WRHVFLWFQJXNMZ-XUZZJYLKSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001275869738 919041786 /nfs/dbraw/zinc/04/17/86/919041786.db2.gz WRHVFLWFQJXNMZ-XUZZJYLKSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001275869738 919041925 /nfs/dbraw/zinc/04/19/25/919041925.db2.gz WRHVFLWFQJXNMZ-XUZZJYLKSA-N 2 1 391.559 3.632 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000654587407 919235996 /nfs/dbraw/zinc/23/59/96/919235996.db2.gz SMULUFBWIHKWCQ-QFIPXVFZSA-N 2 1 383.580 3.792 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000654634819 919260567 /nfs/dbraw/zinc/26/05/67/919260567.db2.gz RVCWLSFVKLEQGT-RPWUZVMVSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654634819 919260583 /nfs/dbraw/zinc/26/05/83/919260583.db2.gz RVCWLSFVKLEQGT-RPWUZVMVSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654634819 919260597 /nfs/dbraw/zinc/26/05/97/919260597.db2.gz RVCWLSFVKLEQGT-RPWUZVMVSA-N 2 1 391.559 3.537 20 0 GHADMP C[NH+](Cc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)ccc1F)C[C@H]1CCCOC1 ZINC000297378702 919279656 /nfs/dbraw/zinc/27/96/56/919279656.db2.gz DFVYNVWSPWGCPQ-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C[C@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000297378702 919279673 /nfs/dbraw/zinc/27/96/73/919279673.db2.gz DFVYNVWSPWGCPQ-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000297378702 919279692 /nfs/dbraw/zinc/27/96/92/919279692.db2.gz DFVYNVWSPWGCPQ-VQTJNVASSA-N 2 1 378.532 3.543 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373601 919300345 /nfs/dbraw/zinc/30/03/45/919300345.db2.gz NCYGZQFNZMHVRL-PXNSSMCTSA-N 2 1 378.438 3.851 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000364338898 919354033 /nfs/dbraw/zinc/35/40/33/919354033.db2.gz LSRVRNRDNRFHRR-UHFFFAOYSA-N 2 1 394.563 3.763 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381788960 919701957 /nfs/dbraw/zinc/70/19/57/919701957.db2.gz JVWQYASMTKPPLT-JBACZVJFSA-N 2 1 387.568 3.886 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CN2Cc3cc(C(F)(F)F)ccc3C2=O)CC1 ZINC000802731213 922365374 /nfs/dbraw/zinc/36/53/74/922365374.db2.gz IWUFVJYTSMTAMF-UHFFFAOYSA-N 2 1 383.458 3.673 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000368019438 922427693 /nfs/dbraw/zinc/42/76/93/922427693.db2.gz RXJMIINHQIAESV-SXLOBPIMSA-N 2 1 399.560 3.579 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368019438 922427696 /nfs/dbraw/zinc/42/76/96/922427696.db2.gz RXJMIINHQIAESV-SXLOBPIMSA-N 2 1 399.560 3.579 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCCC3CCOCC3)CC2)CC1 ZINC000369190438 923194999 /nfs/dbraw/zinc/19/49/99/923194999.db2.gz YLGAOFQSCAEEPL-UHFFFAOYSA-N 2 1 379.633 3.711 20 0 GHADMP C[N@H+](CCCCC1CCOCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000369190438 923195004 /nfs/dbraw/zinc/19/50/04/923195004.db2.gz YLGAOFQSCAEEPL-UHFFFAOYSA-N 3 1 379.633 3.711 20 0 GHADMP C[N@@H+](CCCCC1CCOCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000369190438 923195012 /nfs/dbraw/zinc/19/50/12/923195012.db2.gz YLGAOFQSCAEEPL-UHFFFAOYSA-N 3 1 379.633 3.711 20 0 GHADMP FC(F)(F)c1cc(Br)ccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955686 923432972 /nfs/dbraw/zinc/43/29/72/923432972.db2.gz AGXWNEXKPFRMDR-JTQLQIEISA-N 2 1 387.190 3.802 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(-c2ccccc2)cc1OC ZINC000903958428 923437164 /nfs/dbraw/zinc/43/71/64/923437164.db2.gz ZYASCTKBBACXCQ-QGZVFWFLSA-N 2 1 376.447 3.705 20 0 GHADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000676871151 924119185 /nfs/dbraw/zinc/11/91/85/924119185.db2.gz HANFIKRQUQIVJB-QWFCFKBJSA-N 2 1 395.547 3.590 20 0 GHADMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000676871151 924119195 /nfs/dbraw/zinc/11/91/95/924119195.db2.gz HANFIKRQUQIVJB-QWFCFKBJSA-N 2 1 395.547 3.590 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(OC)c1O ZINC000370672746 924249604 /nfs/dbraw/zinc/24/96/04/924249604.db2.gz HHRZMNCDQPTRGG-BEFAXECRSA-N 2 1 376.522 3.644 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(OC)c1O ZINC000370672746 924249613 /nfs/dbraw/zinc/24/96/13/924249613.db2.gz HHRZMNCDQPTRGG-BEFAXECRSA-N 2 1 376.522 3.644 20 0 GHADMP C[C@H](C[NH+]1CCC[C@@H](C[C@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678638840 924859323 /nfs/dbraw/zinc/85/93/23/924859323.db2.gz YHHVAEOPNBOHGT-QVSSQLJNSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678638840 924859333 /nfs/dbraw/zinc/85/93/33/924859333.db2.gz YHHVAEOPNBOHGT-QVSSQLJNSA-N 2 1 392.628 3.900 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678638840 924859337 /nfs/dbraw/zinc/85/93/37/924859337.db2.gz YHHVAEOPNBOHGT-QVSSQLJNSA-N 2 1 392.628 3.900 20 0 GHADMP c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(-n4ccnn4)cc2)CC3)c1 ZINC001137364384 925020610 /nfs/dbraw/zinc/02/06/10/925020610.db2.gz UAUQVINJQKOXJT-UHFFFAOYSA-N 2 1 393.560 3.817 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000372017121 925070665 /nfs/dbraw/zinc/07/06/65/925070665.db2.gz LNBANBHYYOZPKJ-JOCHJYFZSA-N 2 1 383.580 3.764 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(F)c(Cl)c1 ZINC000372051727 925099305 /nfs/dbraw/zinc/09/93/05/925099305.db2.gz REHXUBLWGLJOPE-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1cccc(-c3ccncc3)c1)CC2 ZINC001137389788 925277007 /nfs/dbraw/zinc/27/70/07/925277007.db2.gz CDZCGVXTMTUNEV-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)NCc1ccccc1 ZINC000680039065 925339261 /nfs/dbraw/zinc/33/92/61/925339261.db2.gz RKQMAHBTJQJMGW-GDKQOWJMSA-N 2 1 391.559 3.582 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@H]21 ZINC001137401833 925399123 /nfs/dbraw/zinc/39/91/23/925399123.db2.gz ISOHFDSGKMHHRN-MTNREXPMSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4ncccc34)C[C@H]21 ZINC001137401833 925399131 /nfs/dbraw/zinc/39/91/31/925399131.db2.gz ISOHFDSGKMHHRN-MTNREXPMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4ncccc34)C[C@H]21 ZINC001137401833 925399139 /nfs/dbraw/zinc/39/91/39/925399139.db2.gz ISOHFDSGKMHHRN-MTNREXPMSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4ncccc34)C[C@H]21 ZINC001137401833 925399148 /nfs/dbraw/zinc/39/91/48/925399148.db2.gz ISOHFDSGKMHHRN-MTNREXPMSA-N 2 1 375.520 3.690 20 0 GHADMP C[C@@H](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C)[NH+]1CCCCC1 ZINC000680314370 925438594 /nfs/dbraw/zinc/43/85/94/925438594.db2.gz RINAXHQKLFUJNV-LEWJYISDSA-N 2 1 386.584 3.557 20 0 GHADMP O=c1[nH]c2ccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)cc2[nH]1 ZINC000680335706 925447440 /nfs/dbraw/zinc/44/74/40/925447440.db2.gz VGIXENCFXSBVAI-SLFFLAALSA-N 2 1 376.504 3.659 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000682108906 926015191 /nfs/dbraw/zinc/01/51/91/926015191.db2.gz HAZPLFKWCKTNHC-OAQYLSRUSA-N 2 1 394.563 3.824 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000411380190 926347854 /nfs/dbraw/zinc/34/78/54/926347854.db2.gz CMBMYWZZYUZJON-REWPJTCUSA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000411380190 926347868 /nfs/dbraw/zinc/34/78/68/926347868.db2.gz CMBMYWZZYUZJON-REWPJTCUSA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000411380190 926347873 /nfs/dbraw/zinc/34/78/73/926347873.db2.gz CMBMYWZZYUZJON-REWPJTCUSA-N 2 1 393.575 3.944 20 0 GHADMP C[C@H]([NH2+]CCC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519411 926484675 /nfs/dbraw/zinc/48/46/75/926484675.db2.gz SCWMHMHOTJSXQZ-NOXFTYBFSA-N 2 1 383.580 3.813 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000398166674 926486988 /nfs/dbraw/zinc/48/69/88/926486988.db2.gz HCCZLKSJMRFEPQ-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000398166674 926487013 /nfs/dbraw/zinc/48/70/13/926487013.db2.gz HCCZLKSJMRFEPQ-RXVVDRJESA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398181513 926487115 /nfs/dbraw/zinc/48/71/15/926487115.db2.gz KCEOFWRZZFDJGI-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000398181513 926487120 /nfs/dbraw/zinc/48/71/20/926487120.db2.gz KCEOFWRZZFDJGI-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000726236695 926602610 /nfs/dbraw/zinc/60/26/10/926602610.db2.gz QMJSUBSRPQIJIZ-LJQANCHMSA-N 2 1 392.632 3.841 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000749590867 927204899 /nfs/dbraw/zinc/20/48/99/927204899.db2.gz QPYILIOZGDPIEC-WJMWBRGCSA-N 2 1 387.568 3.727 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1)C2 ZINC000374904472 927680228 /nfs/dbraw/zinc/68/02/28/927680228.db2.gz VFLNILRICDWDFO-VCYXJBJXSA-N 2 1 389.971 3.712 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000751009036 927978173 /nfs/dbraw/zinc/97/81/73/927978173.db2.gz AXCQLTKOAMKAMP-HNNXBMFYSA-N 2 1 386.968 3.524 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000544343877 929072538 /nfs/dbraw/zinc/07/25/38/929072538.db2.gz TVMIVDAJJQPCIC-WTNAPCKOSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000544343877 929072541 /nfs/dbraw/zinc/07/25/41/929072541.db2.gz TVMIVDAJJQPCIC-WTNAPCKOSA-N 2 1 399.966 3.970 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC4CCC5(CC4)OCCO5)C3)C2)cc1 ZINC000753734460 929506784 /nfs/dbraw/zinc/50/67/84/929506784.db2.gz YIBFWAWOAMSLKT-HSZRJFAPSA-N 2 1 384.564 3.908 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC4CCC5(CC4)OCCO5)C3)C2)cc1 ZINC000753734460 929506793 /nfs/dbraw/zinc/50/67/93/929506793.db2.gz YIBFWAWOAMSLKT-HSZRJFAPSA-N 2 1 384.564 3.908 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC4CCC5(CC4)OCCO5)C3)C2)cc1 ZINC000753734460 929506796 /nfs/dbraw/zinc/50/67/96/929506796.db2.gz YIBFWAWOAMSLKT-HSZRJFAPSA-N 2 1 384.564 3.908 20 0 GHADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)OCO2 ZINC000546058009 929812499 /nfs/dbraw/zinc/81/24/99/929812499.db2.gz KRDYZUORQVWZEO-UHFFFAOYSA-N 2 1 394.471 3.939 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000469424398 929873599 /nfs/dbraw/zinc/87/35/99/929873599.db2.gz MZQMAEMBHMRDKL-VXKWHMMOSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000469424398 929873608 /nfs/dbraw/zinc/87/36/08/929873608.db2.gz MZQMAEMBHMRDKL-VXKWHMMOSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000469424398 929873613 /nfs/dbraw/zinc/87/36/13/929873613.db2.gz MZQMAEMBHMRDKL-VXKWHMMOSA-N 2 1 388.600 3.563 20 0 GHADMP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000469497984 929943180 /nfs/dbraw/zinc/94/31/80/929943180.db2.gz QOYYFUIQOBZQPR-HSZRJFAPSA-N 2 1 397.538 3.601 20 0 GHADMP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000469497984 929943190 /nfs/dbraw/zinc/94/31/90/929943190.db2.gz QOYYFUIQOBZQPR-HSZRJFAPSA-N 2 1 397.538 3.601 20 0 GHADMP Cc1c(Cl)cccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469530766 929968884 /nfs/dbraw/zinc/96/88/84/929968884.db2.gz IJUUZNLSMLTLQP-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000469714418 930105488 /nfs/dbraw/zinc/10/54/88/930105488.db2.gz ZGPIXDPZECRTHW-MSOLQXFVSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000469714418 930105493 /nfs/dbraw/zinc/10/54/93/930105493.db2.gz ZGPIXDPZECRTHW-MSOLQXFVSA-N 2 1 385.474 3.641 20 0 GHADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(-c4ccc(Br)cc4)s3)C[C@H]12 ZINC000469882389 930233525 /nfs/dbraw/zinc/23/35/25/930233525.db2.gz RFNNZWMVPYDFJR-VBNZEHGJSA-N 2 1 378.339 3.742 20 0 GHADMP CCC[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CC[NH2+]CC1 ZINC000469994647 930302264 /nfs/dbraw/zinc/30/22/64/930302264.db2.gz ZVQBLMMSFMXXKT-UHFFFAOYSA-N 2 1 377.330 3.599 20 0 GHADMP CCC[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CC[NH2+]CC1 ZINC000469994647 930302273 /nfs/dbraw/zinc/30/22/73/930302273.db2.gz ZVQBLMMSFMXXKT-UHFFFAOYSA-N 2 1 377.330 3.599 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000470011720 930314526 /nfs/dbraw/zinc/31/45/26/930314526.db2.gz BXVUBKWGLBWTSZ-YIONKMFJSA-N 2 1 383.330 3.571 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000470011720 930314535 /nfs/dbraw/zinc/31/45/35/930314535.db2.gz BXVUBKWGLBWTSZ-YIONKMFJSA-N 2 1 383.330 3.571 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000470368823 930566071 /nfs/dbraw/zinc/56/60/71/930566071.db2.gz FXSXHNZNBJRJPA-RTWAWAEBSA-N 2 1 385.458 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000470368823 930566078 /nfs/dbraw/zinc/56/60/78/930566078.db2.gz FXSXHNZNBJRJPA-RTWAWAEBSA-N 2 1 385.458 3.522 20 0 GHADMP CC[N@H+](Cc1nc(-c2ccc(N3CCC[NH+](C)CC3)c(Cl)c2)no1)C1CC1 ZINC000547187599 930779443 /nfs/dbraw/zinc/77/94/43/930779443.db2.gz PBQCDLMEDWGMBX-UHFFFAOYSA-N 2 1 389.931 3.516 20 0 GHADMP CC[N@@H+](Cc1nc(-c2ccc(N3CCC[NH+](C)CC3)c(Cl)c2)no1)C1CC1 ZINC000547187599 930779448 /nfs/dbraw/zinc/77/94/48/930779448.db2.gz PBQCDLMEDWGMBX-UHFFFAOYSA-N 2 1 389.931 3.516 20 0 GHADMP CC[NH+](Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1)C1CC1 ZINC000547187599 930779458 /nfs/dbraw/zinc/77/94/58/930779458.db2.gz PBQCDLMEDWGMBX-UHFFFAOYSA-N 2 1 389.931 3.516 20 0 GHADMP CC[NH+](Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)C1CC1 ZINC000547187599 930779462 /nfs/dbraw/zinc/77/94/62/930779462.db2.gz PBQCDLMEDWGMBX-UHFFFAOYSA-N 2 1 389.931 3.516 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)c(F)c1 ZINC000781419869 930836273 /nfs/dbraw/zinc/83/62/73/930836273.db2.gz FSDIOAOEQASPTH-IYRWYFENSA-N 2 1 386.486 3.889 20 0 GHADMP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2C[C@H](C)N(C)C[C@H]2C)[C@@H](C)CN1C ZINC000781903784 931021414 /nfs/dbraw/zinc/02/14/14/931021414.db2.gz XBTKHHAHEPPEGW-ZCQNZVIGSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2C[C@H](C)N(C)C[C@H]2C)[C@@H](C)CN1C ZINC000781903784 931021425 /nfs/dbraw/zinc/02/14/25/931021425.db2.gz XBTKHHAHEPPEGW-ZCQNZVIGSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[N@H+](CCCCCCCCC[NH+]2C[C@H](C)N(C)C[C@H]2C)[C@@H](C)CN1C ZINC000781903784 931021433 /nfs/dbraw/zinc/02/14/33/931021433.db2.gz XBTKHHAHEPPEGW-ZCQNZVIGSA-N 2 1 380.665 3.766 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(OC[C@@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022254 931101252 /nfs/dbraw/zinc/10/12/52/931101252.db2.gz MGTRIHBJOWNOGT-ARNLJNQMSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(OC[C@@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022254 931101260 /nfs/dbraw/zinc/10/12/60/931101260.db2.gz MGTRIHBJOWNOGT-ARNLJNQMSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(OC[C@@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022254 931101264 /nfs/dbraw/zinc/10/12/64/931101264.db2.gz MGTRIHBJOWNOGT-ARNLJNQMSA-N 2 1 392.543 3.808 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(OC[C@@H]5CCCO5)cc4)C[C@@H]3C2)cc1 ZINC000471022254 931101267 /nfs/dbraw/zinc/10/12/67/931101267.db2.gz MGTRIHBJOWNOGT-ARNLJNQMSA-N 2 1 392.543 3.808 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CCCCC1 ZINC000557119619 931220320 /nfs/dbraw/zinc/22/03/20/931220320.db2.gz NARNCLJWGLZDIN-XMMPIXPASA-N 2 1 398.595 3.736 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000782935987 931368191 /nfs/dbraw/zinc/36/81/91/931368191.db2.gz CNSDDWJNXMAQOK-MOPGFXCFSA-N 2 1 385.552 3.648 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000782935987 931368196 /nfs/dbraw/zinc/36/81/96/931368196.db2.gz CNSDDWJNXMAQOK-MOPGFXCFSA-N 2 1 385.552 3.648 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000782935987 931368207 /nfs/dbraw/zinc/36/82/07/931368207.db2.gz CNSDDWJNXMAQOK-MOPGFXCFSA-N 2 1 385.552 3.648 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000782948559 931372498 /nfs/dbraw/zinc/37/24/98/931372498.db2.gz LCQQYFVUWKDFJY-GHTZIAJQSA-N 2 1 385.552 3.505 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000782948559 931372504 /nfs/dbraw/zinc/37/25/04/931372504.db2.gz LCQQYFVUWKDFJY-GHTZIAJQSA-N 2 1 385.552 3.505 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000782948559 931372508 /nfs/dbraw/zinc/37/25/08/931372508.db2.gz LCQQYFVUWKDFJY-GHTZIAJQSA-N 2 1 385.552 3.505 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000924873704 931569702 /nfs/dbraw/zinc/56/97/02/931569702.db2.gz MSQWJLTTYJMASE-AOCRQIFASA-N 2 1 393.597 3.853 20 0 GHADMP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000924873704 931569709 /nfs/dbraw/zinc/56/97/09/931569709.db2.gz MSQWJLTTYJMASE-AOCRQIFASA-N 2 1 393.597 3.853 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)CC2)cs1 ZINC000925032230 931619098 /nfs/dbraw/zinc/61/90/98/931619098.db2.gz SCSPNYDGLNWFQZ-GHTZIAJQSA-N 2 1 377.598 3.712 20 0 GHADMP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)n(C)n1 ZINC000925036104 931619813 /nfs/dbraw/zinc/61/98/13/931619813.db2.gz AHRYTNJVNOMCSF-UNMCSNQZSA-N 2 1 399.583 3.546 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(C[NH+](C)C)c3)CC2)oc1C ZINC000925039265 931621298 /nfs/dbraw/zinc/62/12/98/931621298.db2.gz XLYUJBBSAFBMKV-SFHVURJKSA-N 3 1 384.568 3.916 20 0 GHADMP COc1ccccc1[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000925439055 931782732 /nfs/dbraw/zinc/78/27/32/931782732.db2.gz HRKFGGKBVGPZJK-YDHSSHFGSA-N 2 1 383.536 3.659 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)COc2cccc(F)c2)CC1 ZINC000796700651 931799390 /nfs/dbraw/zinc/79/93/90/931799390.db2.gz FVYFWQBJXFRWBQ-LZBANZJXSA-N 2 1 386.511 3.598 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000926553703 932226751 /nfs/dbraw/zinc/22/67/51/932226751.db2.gz AFUKUBDIWBOPRH-GQDBAEDSSA-N 2 1 394.563 3.816 20 0 GHADMP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)C2)n1 ZINC000927051406 932391207 /nfs/dbraw/zinc/39/12/07/932391207.db2.gz FCTSAOLGANWOPB-ZPAWYTMASA-N 2 1 380.536 3.911 20 0 GHADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000559330803 932605477 /nfs/dbraw/zinc/60/54/77/932605477.db2.gz QZEUMKGCDXIGQD-XMMPIXPASA-N 2 1 394.559 3.851 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798934492 932821518 /nfs/dbraw/zinc/82/15/18/932821518.db2.gz HCOZRMJTRTXRHK-CYFREDJKSA-N 2 1 396.531 3.801 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934492 932821521 /nfs/dbraw/zinc/82/15/21/932821521.db2.gz HCOZRMJTRTXRHK-CYFREDJKSA-N 2 1 396.531 3.801 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798955438 932837264 /nfs/dbraw/zinc/83/72/64/932837264.db2.gz PXFCGSMHGWLFMR-NTKDMRAZSA-N 2 1 396.531 3.629 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c2cccs2)CCO1 ZINC000559787071 932857124 /nfs/dbraw/zinc/85/71/24/932857124.db2.gz MJSLGWAVVNZXCY-PSWRPDDJSA-N 2 1 399.604 3.935 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c2cccs2)CCO1 ZINC000559787071 932857132 /nfs/dbraw/zinc/85/71/32/932857132.db2.gz MJSLGWAVVNZXCY-PSWRPDDJSA-N 2 1 399.604 3.935 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000799177582 932898818 /nfs/dbraw/zinc/89/88/18/932898818.db2.gz WKKMTQXCQWBCEO-XMMPIXPASA-N 2 1 389.392 3.909 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC[S@@](=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000799177582 932898828 /nfs/dbraw/zinc/89/88/28/932898828.db2.gz WKKMTQXCQWBCEO-XMMPIXPASA-N 2 1 389.392 3.909 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178882 932898986 /nfs/dbraw/zinc/89/89/86/932898986.db2.gz OVNBPXTWVJTAIO-MRXNPFEDSA-N 2 1 393.959 3.792 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178471 932901119 /nfs/dbraw/zinc/90/11/19/932901119.db2.gz TWKCIHXGDNJQTG-MRXNPFEDSA-N 2 1 397.519 3.770 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178471 932901126 /nfs/dbraw/zinc/90/11/26/932901126.db2.gz TWKCIHXGDNJQTG-MRXNPFEDSA-N 2 1 397.519 3.770 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)CC1 ZINC000799179162 932902030 /nfs/dbraw/zinc/90/20/30/932902030.db2.gz DXZQUEYNOHSWNX-HXUWFJFHSA-N 2 1 391.559 3.963 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3[C@@H](C)c3ccccc3)CC2)CC1 ZINC000928387511 932960669 /nfs/dbraw/zinc/96/06/69/932960669.db2.gz WBZZKGMOGXWDDM-GBXCKJPGSA-N 2 1 397.607 3.977 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000560183224 933118067 /nfs/dbraw/zinc/11/80/67/933118067.db2.gz RKBHUTLLNCVISO-LWSSLDFYSA-N 2 1 384.564 3.973 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COc1cccc2ccccc21 ZINC000560281352 933182465 /nfs/dbraw/zinc/18/24/65/933182465.db2.gz SRJFOMWEQQRRCN-HSZRJFAPSA-N 2 1 390.527 3.834 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)cc1)C(C)C ZINC000560677929 933447671 /nfs/dbraw/zinc/44/76/71/933447671.db2.gz PMQOVTUOFACKRX-HSZRJFAPSA-N 2 1 395.547 3.736 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1)C(C)C ZINC000560677929 933447680 /nfs/dbraw/zinc/44/76/80/933447680.db2.gz PMQOVTUOFACKRX-HSZRJFAPSA-N 2 1 395.547 3.736 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1)C(C)C ZINC000560677929 933447692 /nfs/dbraw/zinc/44/76/92/933447692.db2.gz PMQOVTUOFACKRX-HSZRJFAPSA-N 2 1 395.547 3.736 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC001116375982 933518838 /nfs/dbraw/zinc/51/88/38/933518838.db2.gz OIBALGKCIMHYJB-RTWAWAEBSA-N 2 1 390.547 3.526 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000560822952 933589092 /nfs/dbraw/zinc/58/90/92/933589092.db2.gz JYKSAWKJMSTZNP-HXUWFJFHSA-N 2 1 383.580 3.588 20 0 GHADMP C[C@H]1C[C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000560892783 933658709 /nfs/dbraw/zinc/65/87/09/933658709.db2.gz OHAXOCRYNXOBJW-HOCLYGCPSA-N 2 1 391.437 3.685 20 0 GHADMP C[NH2+][C@@H](C)CCNC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC001118015497 934078582 /nfs/dbraw/zinc/07/85/82/934078582.db2.gz BLCJODCFJZJDLU-GHTZIAJQSA-N 2 1 390.572 3.586 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001119987990 934431263 /nfs/dbraw/zinc/43/12/63/934431263.db2.gz DFPUVZBXNHSTKR-QILLFSRXSA-N 2 1 394.357 3.570 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4c3ccc(OC)c4F)cc2)CC1 ZINC000561773123 934440701 /nfs/dbraw/zinc/44/07/01/934440701.db2.gz VVDQKRVSZSYBOG-QFIPXVFZSA-N 2 1 397.538 3.749 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@H](O)COc1cc(C)ccc1Cl ZINC001120467224 934466400 /nfs/dbraw/zinc/46/64/00/934466400.db2.gz JIISCFSCCCHYLS-SFHVURJKSA-N 2 1 385.895 3.672 20 0 GHADMP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)OCCc2ccccc21 ZINC000562092165 934691468 /nfs/dbraw/zinc/69/14/68/934691468.db2.gz SAHWEQUCCZRUEZ-XRODADMRSA-N 2 1 394.559 3.744 20 0 GHADMP Cc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1F ZINC001137674820 935697557 /nfs/dbraw/zinc/69/75/57/935697557.db2.gz IBRNLTWVBUVCEJ-YPAWHYETSA-N 2 1 390.543 3.614 20 0 GHADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001137746747 935766253 /nfs/dbraw/zinc/76/62/53/935766253.db2.gz RZCGUOZGQMBSOD-SFHVURJKSA-N 2 1 376.932 3.852 20 0 GHADMP COC(=O)c1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001137792991 935792488 /nfs/dbraw/zinc/79/24/88/935792488.db2.gz WLVHFXXRYYYOPA-NHCUHLMSSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001137792991 935792493 /nfs/dbraw/zinc/79/24/93/935792493.db2.gz WLVHFXXRYYYOPA-NHCUHLMSSA-N 2 1 378.516 3.817 20 0 GHADMP COC(=O)c1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001137792991 935792497 /nfs/dbraw/zinc/79/24/97/935792497.db2.gz WLVHFXXRYYYOPA-NHCUHLMSSA-N 2 1 378.516 3.817 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1n[nH]c3c1CCN(Cc1ccccc1)C3)C2 ZINC001226707218 1032086041 /nfs/dbraw/zinc/08/60/41/1032086041.db2.gz TUMVQAQTKMWWFA-PMOLBWCYSA-N 2 1 380.536 3.751 20 0 GHADMP C[NH+](C)[C@H](C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC001626133137 1015026949 /nfs/dbraw/zinc/02/69/49/1015026949.db2.gz JPEPEFGYEQMJDK-SCCNAQOGSA-N 2 1 377.960 3.856 20 0 GHADMP CC(C)C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468025230 1015160008 /nfs/dbraw/zinc/16/00/08/1015160008.db2.gz GMFPFXZZAHNFRQ-UGESXGAOSA-N 2 1 388.600 3.734 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001226756618 1032114687 /nfs/dbraw/zinc/11/46/87/1032114687.db2.gz QXVSILJPLZVGJC-OAQYLSRUSA-N 2 1 392.632 3.987 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+]1CCCCCC1 ZINC000468192280 1015387696 /nfs/dbraw/zinc/38/76/96/1015387696.db2.gz NUWRYCSGVBHDKC-AWEZNQCLSA-N 2 1 382.346 3.714 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000545458408 1015891181 /nfs/dbraw/zinc/89/11/81/1015891181.db2.gz WCZUMCRDPOELBI-QFIPXVFZSA-N 2 1 386.971 3.636 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000468750021 1015990502 /nfs/dbraw/zinc/99/05/02/1015990502.db2.gz UOZUQXMKWWZHLF-FGTMMUONSA-N 2 1 383.536 3.972 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[NH+]1CCOCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470950403 1016928300 /nfs/dbraw/zinc/92/83/00/1016928300.db2.gz XUTJLCGFYJVAHQ-XJFOESAGSA-N 2 1 376.385 3.548 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOCC[NH+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470950403 1016928308 /nfs/dbraw/zinc/92/83/08/1016928308.db2.gz XUTJLCGFYJVAHQ-XJFOESAGSA-N 2 1 376.385 3.548 20 0 GHADMP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCOCC[NH+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470950403 1016928311 /nfs/dbraw/zinc/92/83/11/1016928311.db2.gz XUTJLCGFYJVAHQ-XJFOESAGSA-N 2 1 376.385 3.548 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001227435628 1032419396 /nfs/dbraw/zinc/41/93/96/1032419396.db2.gz RUDRIAFHJVVPBQ-YADHBBJMSA-N 2 1 388.600 3.661 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001227447813 1032424154 /nfs/dbraw/zinc/42/41/54/1032424154.db2.gz VJZFFNZAUQOLBP-PZJWPPBQSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001221463750 1032425089 /nfs/dbraw/zinc/42/50/89/1032425089.db2.gz DQNBPHRWUVYAMS-MAODHWIISA-N 2 1 392.632 3.839 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001221508541 1032440742 /nfs/dbraw/zinc/44/07/42/1032440742.db2.gz BZEFLMFNZWAVSC-OAQYLSRUSA-N 2 1 386.584 3.594 20 0 GHADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1 ZINC001155339815 1032509419 /nfs/dbraw/zinc/50/94/19/1032509419.db2.gz WPONYAJCZORXRF-QGZVFWFLSA-N 2 1 383.499 3.999 20 0 GHADMP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001155339815 1032509428 /nfs/dbraw/zinc/50/94/28/1032509428.db2.gz WPONYAJCZORXRF-QGZVFWFLSA-N 2 1 383.499 3.999 20 0 GHADMP CSCc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361117 1032519388 /nfs/dbraw/zinc/51/93/88/1032519388.db2.gz JKOGAWAHNJOXPX-NRFANRHFSA-N 2 1 396.604 3.858 20 0 GHADMP Cc1ccc2c(c1)[C@H](Nc1cc[nH+]c(N3CCCCC3)n1)CC21CC[NH2+]CC1 ZINC001155441259 1032543292 /nfs/dbraw/zinc/54/32/92/1032543292.db2.gz FSLABIWJHNIIBQ-HXUWFJFHSA-N 2 1 377.536 3.953 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000558128503 1017123401 /nfs/dbraw/zinc/12/34/01/1017123401.db2.gz HRECKJRNHBPJDZ-UHFFFAOYSA-N 2 1 387.833 3.984 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1C[NH+]1CCCCC1 ZINC000925784823 1017146841 /nfs/dbraw/zinc/14/68/41/1017146841.db2.gz SNZLYKYUPZLPTR-APWZRJJASA-N 3 1 381.511 3.577 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436062 1017979471 /nfs/dbraw/zinc/97/94/71/1017979471.db2.gz QFPRFLBBEYLZQK-KWCYVHTRSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436062 1017979474 /nfs/dbraw/zinc/97/94/74/1017979474.db2.gz QFPRFLBBEYLZQK-KWCYVHTRSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436062 1017979477 /nfs/dbraw/zinc/97/94/77/1017979477.db2.gz QFPRFLBBEYLZQK-KWCYVHTRSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436062 1017979483 /nfs/dbraw/zinc/97/94/83/1017979483.db2.gz QFPRFLBBEYLZQK-KWCYVHTRSA-N 2 1 381.307 3.988 20 0 GHADMP C[C@H](c1nnc(-c2ccc(Cl)c(Cl)c2)o1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436062 1017979485 /nfs/dbraw/zinc/97/94/85/1017979485.db2.gz QFPRFLBBEYLZQK-KWCYVHTRSA-N 2 1 381.307 3.988 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1C ZINC001204352252 1032789236 /nfs/dbraw/zinc/78/92/36/1032789236.db2.gz QCVFPRMNINGRIV-HSZRJFAPSA-N 2 1 379.548 3.954 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581034 1019238169 /nfs/dbraw/zinc/23/81/69/1019238169.db2.gz HAWWDBVIFIYVHI-JBACZVJFSA-N 2 1 383.536 3.737 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000567864829 1019349875 /nfs/dbraw/zinc/34/98/75/1019349875.db2.gz STLVLOBNGYXTFX-QGZVFWFLSA-N 2 1 389.341 3.803 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000568627455 1019431167 /nfs/dbraw/zinc/43/11/67/1019431167.db2.gz AHJGUJKMOBSUQZ-UNMCSNQZSA-N 2 1 393.510 3.579 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000568689318 1019439315 /nfs/dbraw/zinc/43/93/15/1019439315.db2.gz HOEGQBYHLHRUAN-UHFFFAOYSA-N 2 1 396.304 3.604 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204416535 1032847317 /nfs/dbraw/zinc/84/73/17/1032847317.db2.gz XIJLVFZKYVZFSV-HDICACEKSA-N 2 1 377.410 3.544 20 0 GHADMP FC(F)(F)Oc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204416535 1032847331 /nfs/dbraw/zinc/84/73/31/1032847331.db2.gz XIJLVFZKYVZFSV-HDICACEKSA-N 2 1 377.410 3.544 20 0 GHADMP C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000630033322 1020793532 /nfs/dbraw/zinc/79/35/32/1020793532.db2.gz VPPIYWGLSKCDDZ-CVDCTZTESA-N 2 1 377.532 3.511 20 0 GHADMP C[C@@H](c1ccccc1)N1CCN(C(=O)CN(C)[C@H]2CCc3ccccc32)CC1 ZINC000630033322 1020793540 /nfs/dbraw/zinc/79/35/40/1020793540.db2.gz VPPIYWGLSKCDDZ-CVDCTZTESA-N 2 1 377.532 3.511 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000834588650 1021288212 /nfs/dbraw/zinc/28/82/12/1021288212.db2.gz DLKDLMCOIOKEKM-YRPNKDGESA-N 2 1 397.604 3.501 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1F ZINC001204557022 1032970239 /nfs/dbraw/zinc/97/02/39/1032970239.db2.gz DBVZBSJKULHRKQ-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1F ZINC001204557022 1032970245 /nfs/dbraw/zinc/97/02/45/1032970245.db2.gz DBVZBSJKULHRKQ-UHFFFAOYSA-N 2 1 390.524 3.763 20 0 GHADMP C[N@H+](Cc1ccccc1-c1cnc(N)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140325245 1021404444 /nfs/dbraw/zinc/40/44/44/1021404444.db2.gz MTFSELZDRDTWBY-HXUWFJFHSA-N 2 1 387.531 3.680 20 0 GHADMP C[NH+](Cc1ccccc1-c1cnc(N)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140325245 1021404453 /nfs/dbraw/zinc/40/44/53/1021404453.db2.gz MTFSELZDRDTWBY-HXUWFJFHSA-N 2 1 387.531 3.680 20 0 GHADMP C[NH+](Cc1ccccc1-c1cnc(N)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140325245 1021404460 /nfs/dbraw/zinc/40/44/60/1021404460.db2.gz MTFSELZDRDTWBY-HXUWFJFHSA-N 2 1 387.531 3.680 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001228557942 1032986508 /nfs/dbraw/zinc/98/65/08/1032986508.db2.gz TUUPAMJKJTWBSL-IFXJQAMLSA-N 2 1 398.954 3.501 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001228557942 1032986514 /nfs/dbraw/zinc/98/65/14/1032986514.db2.gz TUUPAMJKJTWBSL-IFXJQAMLSA-N 2 1 398.954 3.501 20 0 GHADMP CCC[N@@H+](CC(=O)c1cc(C)[nH]c1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000679135673 1021963086 /nfs/dbraw/zinc/96/30/86/1021963086.db2.gz ZGIMPXWYPASLST-UHFFFAOYSA-N 2 1 383.540 3.602 20 0 GHADMP CCC[N@@H+](CC(=O)c1cc(C)[nH]c1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000679135673 1021963095 /nfs/dbraw/zinc/96/30/95/1021963095.db2.gz ZGIMPXWYPASLST-UHFFFAOYSA-N 2 1 383.540 3.602 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C(C)(C)C)[nH]1)CC2 ZINC001137373552 1021996070 /nfs/dbraw/zinc/99/60/70/1021996070.db2.gz DKSSHDQNYASLLH-NRFANRHFSA-N 2 1 396.579 3.963 20 0 GHADMP Cc1ccc(F)cc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001140590999 1022022570 /nfs/dbraw/zinc/02/25/70/1022022570.db2.gz NXPIJPNAFDOGKC-JOCHJYFZSA-N 2 1 383.511 3.785 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000679994783 1022069843 /nfs/dbraw/zinc/06/98/43/1022069843.db2.gz OWNDUPHOBPJWGA-CTNGQTDRSA-N 2 1 395.950 3.994 20 0 GHADMP Oc1cc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)ccc1OC(F)F ZINC001140626111 1022105032 /nfs/dbraw/zinc/10/50/32/1022105032.db2.gz QVISWXKBFGVTOH-GASCZTMLSA-N 2 1 380.460 3.619 20 0 GHADMP c1oc2ccccc2c1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001140785348 1022525788 /nfs/dbraw/zinc/52/57/88/1022525788.db2.gz ARJXQLFTWOUJSS-AUSIDOKSSA-N 2 1 377.488 3.551 20 0 GHADMP c1oc2ccccc2c1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001140785348 1022525796 /nfs/dbraw/zinc/52/57/96/1022525796.db2.gz ARJXQLFTWOUJSS-AUSIDOKSSA-N 2 1 377.488 3.551 20 0 GHADMP c1oc2ccccc2c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001140785348 1022525801 /nfs/dbraw/zinc/52/58/01/1022525801.db2.gz ARJXQLFTWOUJSS-AUSIDOKSSA-N 2 1 377.488 3.551 20 0 GHADMP c1oc2ccccc2c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001140785778 1022527343 /nfs/dbraw/zinc/52/73/43/1022527343.db2.gz UEKVNFADMXQJDP-UHFFFAOYSA-N 2 1 391.515 3.942 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801474 1022569663 /nfs/dbraw/zinc/56/96/63/1022569663.db2.gz OVKAQCQZTDQQDE-GHTZIAJQSA-N 2 1 388.487 3.734 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801474 1022569664 /nfs/dbraw/zinc/56/96/64/1022569664.db2.gz OVKAQCQZTDQQDE-GHTZIAJQSA-N 2 1 388.487 3.734 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001140803493 1022573791 /nfs/dbraw/zinc/57/37/91/1022573791.db2.gz RJEJNCTWPXVUTG-IBGZPJMESA-N 2 1 392.503 3.656 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001140973176 1023047470 /nfs/dbraw/zinc/04/74/70/1023047470.db2.gz FTCNRRVNLUCZRR-OAQYLSRUSA-N 2 1 382.577 3.590 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1c[nH]nc1C(F)(F)F)CC2 ZINC001141014398 1023211093 /nfs/dbraw/zinc/21/10/93/1023211093.db2.gz KZQUJOYSLUAOOO-MRXNPFEDSA-N 2 1 382.430 3.898 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(O)c1OC ZINC001141172092 1024006992 /nfs/dbraw/zinc/00/69/92/1024006992.db2.gz NPIYXPPJDGWOIB-UHFFFAOYSA-N 2 1 396.531 3.898 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc(O)c1OC ZINC001141175251 1024012053 /nfs/dbraw/zinc/01/20/53/1024012053.db2.gz OUKNQSDHVRHRNL-SFTDATJTSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc(O)c1OC ZINC001141175251 1024012074 /nfs/dbraw/zinc/01/20/74/1024012074.db2.gz OUKNQSDHVRHRNL-SFTDATJTSA-N 2 1 396.531 3.753 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc(O)c1OC ZINC001141175251 1024012087 /nfs/dbraw/zinc/01/20/87/1024012087.db2.gz OUKNQSDHVRHRNL-SFTDATJTSA-N 2 1 396.531 3.753 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001138121854 1024161365 /nfs/dbraw/zinc/16/13/65/1024161365.db2.gz OCHXSSISZPCYFT-YADHBBJMSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001138121854 1024161374 /nfs/dbraw/zinc/16/13/74/1024161374.db2.gz OCHXSSISZPCYFT-YADHBBJMSA-N 2 1 383.580 3.764 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001138121854 1024161396 /nfs/dbraw/zinc/16/13/96/1024161396.db2.gz OCHXSSISZPCYFT-YADHBBJMSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C)c1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001141260975 1024324425 /nfs/dbraw/zinc/32/44/25/1024324425.db2.gz CUIJRJAYRVOURX-NRFANRHFSA-N 2 1 383.536 3.601 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3c(-c4ccccc4)nc4n3CCS4)CC2)cc[nH+]1 ZINC001141312460 1024507189 /nfs/dbraw/zinc/50/71/89/1024507189.db2.gz CRTLXEBYUGPVAV-UHFFFAOYSA-N 2 1 391.544 3.681 20 0 GHADMP FC(F)(F)c1ccc(CN2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1 ZINC001205026566 1033217851 /nfs/dbraw/zinc/21/78/51/1033217851.db2.gz SHBKODLYWCDQTJ-UHFFFAOYSA-N 2 1 395.494 3.730 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3c4ccccc4[nH]c3C(C)(C)C)CC[C@@H]2C1 ZINC001138311486 1024619953 /nfs/dbraw/zinc/61/99/53/1024619953.db2.gz GJGCUXSFZLKQBC-XMSQKQJNSA-N 2 1 399.579 3.635 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3c4ccccc4[nH]c3C(C)(C)C)CC[C@@H]2C1 ZINC001138311486 1024619967 /nfs/dbraw/zinc/61/99/67/1024619967.db2.gz GJGCUXSFZLKQBC-XMSQKQJNSA-N 2 1 399.579 3.635 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c4ccccc4[nH]c3C(C)(C)C)CC[C@@H]2C1 ZINC001138311486 1024619977 /nfs/dbraw/zinc/61/99/77/1024619977.db2.gz GJGCUXSFZLKQBC-XMSQKQJNSA-N 2 1 399.579 3.635 20 0 GHADMP COc1c(C)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1C ZINC001138428074 1024822626 /nfs/dbraw/zinc/82/26/26/1024822626.db2.gz FCRKHKDXJGMALP-UHFFFAOYSA-N 2 1 382.552 3.553 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001138549218 1024995555 /nfs/dbraw/zinc/99/55/55/1024995555.db2.gz RSGGOTDQFSJXBM-DHIUTWEWSA-N 2 1 388.515 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)cc1 ZINC001138549218 1024995564 /nfs/dbraw/zinc/99/55/64/1024995564.db2.gz RSGGOTDQFSJXBM-DHIUTWEWSA-N 2 1 388.515 3.804 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)cc1 ZINC001138551293 1025004891 /nfs/dbraw/zinc/00/48/91/1025004891.db2.gz CQVSCBVGGHPILD-NRFANRHFSA-N 2 1 387.487 3.803 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)cc1 ZINC001138551293 1025004896 /nfs/dbraw/zinc/00/48/96/1025004896.db2.gz CQVSCBVGGHPILD-NRFANRHFSA-N 2 1 387.487 3.803 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578904 1025058467 /nfs/dbraw/zinc/05/84/67/1025058467.db2.gz FHDMUYHZUDHTOG-IOMROCGXSA-N 2 1 381.568 3.835 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578904 1025058478 /nfs/dbraw/zinc/05/84/78/1025058478.db2.gz FHDMUYHZUDHTOG-IOMROCGXSA-N 2 1 381.568 3.835 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578904 1025058484 /nfs/dbraw/zinc/05/84/84/1025058484.db2.gz FHDMUYHZUDHTOG-IOMROCGXSA-N 2 1 381.568 3.835 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC001138578904 1025058487 /nfs/dbraw/zinc/05/84/87/1025058487.db2.gz FHDMUYHZUDHTOG-IOMROCGXSA-N 2 1 381.568 3.835 20 0 GHADMP COCC[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CCN(C)CC1 ZINC001138583447 1025063332 /nfs/dbraw/zinc/06/33/32/1025063332.db2.gz ILFKYZKVAMGWNK-UHFFFAOYSA-N 2 1 378.520 3.568 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606206 1025093195 /nfs/dbraw/zinc/09/31/95/1025093195.db2.gz KGFZAEJNYLRNIS-ILBGXUMGSA-N 2 1 397.607 3.857 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606206 1025093206 /nfs/dbraw/zinc/09/32/06/1025093206.db2.gz KGFZAEJNYLRNIS-ILBGXUMGSA-N 2 1 397.607 3.857 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)C1 ZINC001138606206 1025093222 /nfs/dbraw/zinc/09/32/22/1025093222.db2.gz KGFZAEJNYLRNIS-ILBGXUMGSA-N 2 1 397.607 3.857 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001138772382 1025341060 /nfs/dbraw/zinc/34/10/60/1025341060.db2.gz JBIHEJYMPZYGLW-IBGZPJMESA-N 2 1 376.447 3.559 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772001 1025341169 /nfs/dbraw/zinc/34/11/69/1025341169.db2.gz LTULAVKSCRGCNM-RPWUZVMVSA-N 2 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772001 1025341177 /nfs/dbraw/zinc/34/11/77/1025341177.db2.gz LTULAVKSCRGCNM-RPWUZVMVSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772001 1025341185 /nfs/dbraw/zinc/34/11/85/1025341185.db2.gz LTULAVKSCRGCNM-RPWUZVMVSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772001 1025341197 /nfs/dbraw/zinc/34/11/97/1025341197.db2.gz LTULAVKSCRGCNM-RPWUZVMVSA-N 3 1 393.575 3.581 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138772001 1025341209 /nfs/dbraw/zinc/34/12/09/1025341209.db2.gz LTULAVKSCRGCNM-RPWUZVMVSA-N 3 1 393.575 3.581 20 0 GHADMP COc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001138772408 1025341836 /nfs/dbraw/zinc/34/18/36/1025341836.db2.gz KTLWEIJFNIGOEY-JOCHJYFZSA-N 2 1 386.561 3.926 20 0 GHADMP C[N@H+](Cc1ccnn1[C@H]1CCCCO1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138782535 1025356944 /nfs/dbraw/zinc/35/69/44/1025356944.db2.gz NKGAUXWSSIZNBK-HSZRJFAPSA-N 2 1 382.552 3.926 20 0 GHADMP OCCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001138803349 1025392432 /nfs/dbraw/zinc/39/24/32/1025392432.db2.gz RTRSVDLFWLLMID-XMMPIXPASA-N 2 1 380.532 3.546 20 0 GHADMP OCCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001138803349 1025392439 /nfs/dbraw/zinc/39/24/39/1025392439.db2.gz RTRSVDLFWLLMID-XMMPIXPASA-N 2 1 380.532 3.546 20 0 GHADMP OCCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001138803349 1025392449 /nfs/dbraw/zinc/39/24/49/1025392449.db2.gz RTRSVDLFWLLMID-XMMPIXPASA-N 2 1 380.532 3.546 20 0 GHADMP OCCOc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001138803349 1025392458 /nfs/dbraw/zinc/39/24/58/1025392458.db2.gz RTRSVDLFWLLMID-XMMPIXPASA-N 2 1 380.532 3.546 20 0 GHADMP CN1CCC([N@@H+](Cc2ccc(I)o2)C2CCCC2)CC1 ZINC001138902311 1025549304 /nfs/dbraw/zinc/54/93/04/1025549304.db2.gz OZOTZELZNKFOHI-UHFFFAOYSA-N 2 1 388.293 3.723 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+]2CCC(F)(F)C(C)(C)C2)c1C ZINC001141564799 1025562832 /nfs/dbraw/zinc/56/28/32/1025562832.db2.gz MFDOUQPWYARKKO-UHFFFAOYSA-N 2 1 398.542 3.570 20 0 GHADMP CCc1ccc(C[N@H+](C)Cc2[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c2C)cc1 ZINC001141575022 1025638671 /nfs/dbraw/zinc/63/86/71/1025638671.db2.gz LTWPWEAEEBHADJ-UHFFFAOYSA-N 2 1 398.595 3.898 20 0 GHADMP C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)c1nnc2ccccn21 ZINC001162177764 1025649158 /nfs/dbraw/zinc/64/91/58/1025649158.db2.gz FHWXODUXGFDQGM-DOTOQJQBSA-N 2 1 375.480 3.567 20 0 GHADMP CCCCOc1cccc(C[N@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001138956633 1025653874 /nfs/dbraw/zinc/65/38/74/1025653874.db2.gz QLIRKNZXZINDIT-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001138956633 1025653880 /nfs/dbraw/zinc/65/38/80/1025653880.db2.gz QLIRKNZXZINDIT-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001138956633 1025653887 /nfs/dbraw/zinc/65/38/87/1025653887.db2.gz QLIRKNZXZINDIT-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001138956633 1025653895 /nfs/dbraw/zinc/65/38/95/1025653895.db2.gz QLIRKNZXZINDIT-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP CCCCOc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001138956633 1025653900 /nfs/dbraw/zinc/65/39/00/1025653900.db2.gz QLIRKNZXZINDIT-YADHBBJMSA-N 2 1 382.552 3.553 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)[C@@H](c2ccccc2)C1 ZINC001461038662 1069353314 /nfs/dbraw/zinc/35/33/14/1069353314.db2.gz XMEVJSRIVIFNDA-HSZRJFAPSA-N 2 1 389.547 3.545 20 0 GHADMP CN1CCN(CCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)[C@@H](c2ccccc2)C1 ZINC001461038662 1069353325 /nfs/dbraw/zinc/35/33/25/1069353325.db2.gz XMEVJSRIVIFNDA-HSZRJFAPSA-N 2 1 389.547 3.545 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC001162881024 1025951430 /nfs/dbraw/zinc/95/14/30/1025951430.db2.gz SOFMLARKVOJTEL-DHJUGAMNSA-N 2 1 380.536 3.665 20 0 GHADMP COc1ccc2c(c1)c(C[NH+]1C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)cn2C ZINC001139150460 1025968978 /nfs/dbraw/zinc/96/89/78/1025968978.db2.gz LUWUQSKGBVHIKV-PMACEKPBSA-N 2 1 375.516 3.751 20 0 GHADMP c1cc2cnc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)nc2s1 ZINC001162929170 1025969994 /nfs/dbraw/zinc/96/99/94/1025969994.db2.gz MLIHZDDLEJCNDZ-IBGZPJMESA-N 2 1 393.560 3.605 20 0 GHADMP CC(C)(C)c1ncc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cn1 ZINC001162940215 1025976563 /nfs/dbraw/zinc/97/65/63/1025976563.db2.gz CHHJFNDDQWDVLX-HXUWFJFHSA-N 2 1 393.579 3.688 20 0 GHADMP CCn1ccc2c1cccc2C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001139155984 1025976710 /nfs/dbraw/zinc/97/67/10/1025976710.db2.gz WVQNVYXSVNXTFT-IBGZPJMESA-N 2 1 383.536 3.511 20 0 GHADMP CCn1ccc2c1cccc2C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001139155984 1025976718 /nfs/dbraw/zinc/97/67/18/1025976718.db2.gz WVQNVYXSVNXTFT-IBGZPJMESA-N 2 1 383.536 3.511 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)nc1 ZINC001163135646 1026061987 /nfs/dbraw/zinc/06/19/87/1026061987.db2.gz JBARPMGFEQBDSE-JOCHJYFZSA-N 2 1 381.568 3.565 20 0 GHADMP C[NH+]1CCN(C2CC[NH+](Cc3ccccc3Oc3ccc(F)cc3)CC2)CC1 ZINC001139298346 1026152331 /nfs/dbraw/zinc/15/23/31/1026152331.db2.gz GXSLYUUXSJDNIG-UHFFFAOYSA-N 2 1 383.511 3.830 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001139515827 1026374089 /nfs/dbraw/zinc/37/40/89/1026374089.db2.gz ZWYAASIHZUPCEI-BWKNWUBXSA-N 2 1 393.575 3.602 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4oc5ccccc5c4c3)CC[C@@H]2C1 ZINC001139751983 1026590714 /nfs/dbraw/zinc/59/07/14/1026590714.db2.gz KRFSVXJYABOVBH-NTKDMRAZSA-N 2 1 394.515 3.755 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4oc5ccccc5c4c3)CC[C@@H]2C1 ZINC001139751983 1026590720 /nfs/dbraw/zinc/59/07/20/1026590720.db2.gz KRFSVXJYABOVBH-NTKDMRAZSA-N 2 1 394.515 3.755 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4oc5ccccc5c4c3)CC[C@@H]2C1 ZINC001139751983 1026590731 /nfs/dbraw/zinc/59/07/31/1026590731.db2.gz KRFSVXJYABOVBH-NTKDMRAZSA-N 2 1 394.515 3.755 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[NH+](Cc4ccccc4C4CC4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001139879921 1026695890 /nfs/dbraw/zinc/69/58/90/1026695890.db2.gz DBRDOSMDFDQCBA-GPXNEJASSA-N 2 1 391.563 3.531 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[N@H+](Cc4ccccc4C4CC4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001139879921 1026695897 /nfs/dbraw/zinc/69/58/97/1026695897.db2.gz DBRDOSMDFDQCBA-GPXNEJASSA-N 2 1 391.563 3.531 20 0 GHADMP c1ncn(C[C@@H]2C[C@@H]3C[N@@H+](Cc4ccccc4C4CC4)CC[C@@H]3[NH+]2CC2CC2)n1 ZINC001139879921 1026695902 /nfs/dbraw/zinc/69/59/02/1026695902.db2.gz DBRDOSMDFDQCBA-GPXNEJASSA-N 2 1 391.563 3.531 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001140025888 1026813100 /nfs/dbraw/zinc/81/31/00/1026813100.db2.gz FWHUQIXTYZRQQF-QUCCMNQESA-N 2 1 396.535 3.870 20 0 GHADMP COc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1C ZINC001140158581 1026932044 /nfs/dbraw/zinc/93/20/44/1026932044.db2.gz XVWRFWYWBCHFMA-HXUWFJFHSA-N 2 1 384.520 3.852 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718897 1027116399 /nfs/dbraw/zinc/11/63/99/1027116399.db2.gz RDOLPNFZKRXPKD-RTWAWAEBSA-N 2 1 394.515 3.768 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718897 1027116413 /nfs/dbraw/zinc/11/64/13/1027116413.db2.gz RDOLPNFZKRXPKD-RTWAWAEBSA-N 2 1 394.515 3.768 20 0 GHADMP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc2c1OCO2 ZINC001209718897 1027116428 /nfs/dbraw/zinc/11/64/28/1027116428.db2.gz RDOLPNFZKRXPKD-RTWAWAEBSA-N 2 1 394.515 3.768 20 0 GHADMP Cc1cccn2cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc12 ZINC001209735318 1027128648 /nfs/dbraw/zinc/12/86/48/1027128648.db2.gz JCADAVSPSYPCSM-UHFFFAOYSA-N 2 1 396.560 3.571 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cc(Br)cs3)CC2)nc(C)[nH+]1 ZINC001461258108 1069464924 /nfs/dbraw/zinc/46/49/24/1069464924.db2.gz SDEOGSMXCTZKBL-UHFFFAOYSA-N 2 1 381.343 3.676 20 0 GHADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C)c1 ZINC001203742539 1027564016 /nfs/dbraw/zinc/56/40/16/1027564016.db2.gz BEJAXZUZLILOBX-DHIUTWEWSA-N 2 1 383.580 3.519 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC001203786489 1027604087 /nfs/dbraw/zinc/60/40/87/1027604087.db2.gz ZKRMPYMGWYROMP-QFIPXVFZSA-N 2 1 383.511 3.724 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1C ZINC001203892612 1027687902 /nfs/dbraw/zinc/68/79/02/1027687902.db2.gz DXLBJWYCTHSZLD-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1C ZINC001203892612 1027687912 /nfs/dbraw/zinc/68/79/12/1027687912.db2.gz DXLBJWYCTHSZLD-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1C ZINC001203892612 1027687921 /nfs/dbraw/zinc/68/79/21/1027687921.db2.gz DXLBJWYCTHSZLD-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP COc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1C ZINC001203892612 1027687930 /nfs/dbraw/zinc/68/79/30/1027687930.db2.gz DXLBJWYCTHSZLD-NOZRDPDXSA-N 2 1 398.591 3.964 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203927766 1027719423 /nfs/dbraw/zinc/71/94/23/1027719423.db2.gz DUVHXDZVPKOGPF-TUACAJSNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203927766 1027719439 /nfs/dbraw/zinc/71/94/39/1027719439.db2.gz DUVHXDZVPKOGPF-TUACAJSNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203927766 1027719458 /nfs/dbraw/zinc/71/94/58/1027719458.db2.gz DUVHXDZVPKOGPF-TUACAJSNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203927766 1027719474 /nfs/dbraw/zinc/71/94/74/1027719474.db2.gz DUVHXDZVPKOGPF-TUACAJSNSA-N 2 1 392.547 3.773 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1 ZINC001203955388 1027751475 /nfs/dbraw/zinc/75/14/75/1027751475.db2.gz MTJUBKIIDNCJDM-QFIPXVFZSA-N 2 1 380.532 3.951 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC001204053293 1027841805 /nfs/dbraw/zinc/84/18/05/1027841805.db2.gz JBTKBJLPFZSHBF-UHFFFAOYSA-N 2 1 379.504 3.687 20 0 GHADMP CCCC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC001204107347 1027878310 /nfs/dbraw/zinc/87/83/10/1027878310.db2.gz ILTLEBYEYNPIIP-UHFFFAOYSA-N 2 1 385.346 3.860 20 0 GHADMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC001204107347 1027878329 /nfs/dbraw/zinc/87/83/29/1027878329.db2.gz ILTLEBYEYNPIIP-UHFFFAOYSA-N 2 1 385.346 3.860 20 0 GHADMP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204129084 1027900904 /nfs/dbraw/zinc/90/09/04/1027900904.db2.gz GVOMJGWNLHPXLS-ILWGZMRPSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204129084 1027900906 /nfs/dbraw/zinc/90/09/06/1027900906.db2.gz GVOMJGWNLHPXLS-ILWGZMRPSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204129084 1027900913 /nfs/dbraw/zinc/90/09/13/1027900913.db2.gz GVOMJGWNLHPXLS-ILWGZMRPSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1O ZINC001204129084 1027900920 /nfs/dbraw/zinc/90/09/20/1027900920.db2.gz GVOMJGWNLHPXLS-ILWGZMRPSA-N 2 1 395.547 3.918 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001142070065 1028023335 /nfs/dbraw/zinc/02/33/35/1028023335.db2.gz ZECVKNUQALVGJS-HSZRJFAPSA-N 2 1 379.548 3.708 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001142070065 1028023359 /nfs/dbraw/zinc/02/33/59/1028023359.db2.gz ZECVKNUQALVGJS-HSZRJFAPSA-N 2 1 379.548 3.708 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC001461429937 1069545830 /nfs/dbraw/zinc/54/58/30/1069545830.db2.gz KKWGUDBCBNEYBD-NRFANRHFSA-N 2 1 381.907 3.745 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4nn(C)cc43)C[C@@H]21 ZINC001142455855 1028956117 /nfs/dbraw/zinc/95/61/17/1028956117.db2.gz ABWPTQVKZSHAQW-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001142455855 1028956119 /nfs/dbraw/zinc/95/61/19/1028956119.db2.gz ABWPTQVKZSHAQW-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001142455855 1028956122 /nfs/dbraw/zinc/95/61/22/1028956122.db2.gz ABWPTQVKZSHAQW-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001142455855 1028956124 /nfs/dbraw/zinc/95/61/24/1028956124.db2.gz ABWPTQVKZSHAQW-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc2c(cccc2C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001142455855 1028956126 /nfs/dbraw/zinc/95/61/26/1028956126.db2.gz ABWPTQVKZSHAQW-NGYIFUPDSA-N 2 1 389.547 3.701 20 0 GHADMP CCC[NH2+][C@@H](C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000843206313 1029851531 /nfs/dbraw/zinc/85/15/31/1029851531.db2.gz LXECWBTYHGDHQR-AWEZNQCLSA-N 2 1 377.920 3.593 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC001143139900 1029864339 /nfs/dbraw/zinc/86/43/39/1029864339.db2.gz FJYWLEYAMOTQEG-QDSKXPNFSA-N 2 1 393.575 3.818 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001221967397 1029910456 /nfs/dbraw/zinc/91/04/56/1029910456.db2.gz DBCLYYRUOXMGLD-OAQYLSRUSA-N 2 1 388.600 3.805 20 0 GHADMP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CCC([NH3+])CC1 ZINC000843354513 1029933865 /nfs/dbraw/zinc/93/38/65/1029933865.db2.gz AFRVQVDKXTVYOH-UHFFFAOYSA-N 2 1 375.314 3.608 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363682 1029941041 /nfs/dbraw/zinc/94/10/41/1029941041.db2.gz JDNWFYZVCDPLHQ-GOSISDBHSA-N 2 1 379.504 3.881 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1Sc1ccccc1 ZINC000843363436 1029941902 /nfs/dbraw/zinc/94/19/02/1029941902.db2.gz GRODIMICDJHMKH-UHFFFAOYSA-N 2 1 381.545 3.852 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126939 1029971996 /nfs/dbraw/zinc/97/19/96/1029971996.db2.gz HZRRCUWCPOYMTO-VXKWHMMOSA-N 2 1 386.584 3.633 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001222126933 1029972041 /nfs/dbraw/zinc/97/20/41/1029972041.db2.gz HXTZFDUMHFJFFO-UHFFFAOYSA-N 2 1 388.600 3.756 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC001222195421 1029997342 /nfs/dbraw/zinc/99/73/42/1029997342.db2.gz JFUDEABQXRVIHM-WOJBJXKFSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001222195421 1029997346 /nfs/dbraw/zinc/99/73/46/1029997346.db2.gz JFUDEABQXRVIHM-WOJBJXKFSA-N 2 1 380.621 3.841 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001222195421 1029997349 /nfs/dbraw/zinc/99/73/49/1029997349.db2.gz JFUDEABQXRVIHM-WOJBJXKFSA-N 2 1 380.621 3.841 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc3c(c1)Cc1ccccc1-3)CC[NH2+]CC2 ZINC001222225954 1030020616 /nfs/dbraw/zinc/02/06/16/1030020616.db2.gz KSYWAPNBKFFZJN-QHCPKHFHSA-N 2 1 390.527 3.765 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccccc1-c1ccccc1)CC[NH2+]CC2 ZINC001222226902 1030021818 /nfs/dbraw/zinc/02/18/18/1030021818.db2.gz YPLCUPPFOHTICN-QFIPXVFZSA-N 2 1 378.516 3.861 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001222574248 1030204789 /nfs/dbraw/zinc/20/47/89/1030204789.db2.gz GKLXBDAGEHNULU-QHCPKHFHSA-N 3 1 397.607 3.570 20 0 GHADMP COc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc1C ZINC001222595993 1030221686 /nfs/dbraw/zinc/22/16/86/1030221686.db2.gz NSPBCDQNYBYZFM-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc1C ZINC001222595993 1030221701 /nfs/dbraw/zinc/22/17/01/1030221701.db2.gz NSPBCDQNYBYZFM-JOCHJYFZSA-N 2 1 395.547 3.702 20 0 GHADMP Brc1cc2[nH]cc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)c2cn1 ZINC001222608563 1030231463 /nfs/dbraw/zinc/23/14/63/1030231463.db2.gz BSXTYHFWHURWCK-QGZVFWFLSA-N 2 1 397.320 3.514 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222609424 1030232878 /nfs/dbraw/zinc/23/28/78/1030232878.db2.gz NIEYGWLQMVPOKD-QGZVFWFLSA-N 2 1 392.421 3.783 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1OC(F)(F)F ZINC001222609424 1030232894 /nfs/dbraw/zinc/23/28/94/1030232894.db2.gz NIEYGWLQMVPOKD-QGZVFWFLSA-N 2 1 392.421 3.783 20 0 GHADMP COc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(-c2ccccc2)cn1 ZINC001222615951 1030241896 /nfs/dbraw/zinc/24/18/96/1030241896.db2.gz UNJLDUFRZWRQJH-HSZRJFAPSA-N 2 1 385.511 3.946 20 0 GHADMP COc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(-c2ccccc2)cn1 ZINC001222615951 1030241914 /nfs/dbraw/zinc/24/19/14/1030241914.db2.gz UNJLDUFRZWRQJH-HSZRJFAPSA-N 2 1 385.511 3.946 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001223507272 1030610110 /nfs/dbraw/zinc/61/01/10/1030610110.db2.gz FTUSODKDPOIPET-CBNMVNINSA-N 2 1 394.648 3.896 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001150872918 1030693146 /nfs/dbraw/zinc/69/31/46/1030693146.db2.gz CVCQVQSLMLHIFR-HSZRJFAPSA-N 2 1 397.607 3.808 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001223843396 1030777670 /nfs/dbraw/zinc/77/76/70/1030777670.db2.gz IXMBBLSYRBUKOR-LSWJPFSZSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001223843396 1030777690 /nfs/dbraw/zinc/77/76/90/1030777690.db2.gz IXMBBLSYRBUKOR-LSWJPFSZSA-N 2 1 398.595 3.698 20 0 GHADMP CCCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001223843396 1030777713 /nfs/dbraw/zinc/77/77/13/1030777713.db2.gz IXMBBLSYRBUKOR-LSWJPFSZSA-N 2 1 398.595 3.698 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001218249070 1030851571 /nfs/dbraw/zinc/85/15/71/1030851571.db2.gz WNMONRZUSLDTGR-VXKWHMMOSA-N 2 1 396.531 3.929 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)c1 ZINC001224034617 1030856803 /nfs/dbraw/zinc/85/68/03/1030856803.db2.gz FHSCHDKJSRHEBH-QFIPXVFZSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC001224034617 1030856821 /nfs/dbraw/zinc/85/68/21/1030856821.db2.gz FHSCHDKJSRHEBH-QFIPXVFZSA-N 2 1 388.600 3.933 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC001224034617 1030856842 /nfs/dbraw/zinc/85/68/42/1030856842.db2.gz FHSCHDKJSRHEBH-QFIPXVFZSA-N 2 1 388.600 3.933 20 0 GHADMP C[NH+](C)CC[C@@H](OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC001224135604 1030899157 /nfs/dbraw/zinc/89/91/57/1030899157.db2.gz WOCNHBFKIYRLHH-DNQXCXABSA-N 2 1 382.548 3.987 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001218334524 1030899379 /nfs/dbraw/zinc/89/93/79/1030899379.db2.gz BLJJMYBKRURJHB-NBGIEHNGSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218334524 1030899399 /nfs/dbraw/zinc/89/93/99/1030899399.db2.gz BLJJMYBKRURJHB-NBGIEHNGSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218334524 1030899415 /nfs/dbraw/zinc/89/94/15/1030899415.db2.gz BLJJMYBKRURJHB-NBGIEHNGSA-N 3 1 393.575 3.899 20 0 GHADMP CC1(C)C[NH2+]CCc2ccc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc21 ZINC001218342979 1030903262 /nfs/dbraw/zinc/90/32/62/1030903262.db2.gz BYYSPDGNWDYJEY-QHCPKHFHSA-N 2 1 394.559 3.780 20 0 GHADMP [NH3+]C1CCN(Cc2ccccc2O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001218410928 1030927671 /nfs/dbraw/zinc/92/76/71/1030927671.db2.gz QJAYMZJYILZXII-JOCHJYFZSA-N 2 1 399.966 3.916 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001224676533 1031076135 /nfs/dbraw/zinc/07/61/35/1031076135.db2.gz RLNIKOKSGHZCQK-RBUKOAKNSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001224901154 1031169203 /nfs/dbraw/zinc/16/92/03/1031169203.db2.gz XJSJOVJPGMRNIO-JSCDHNGXSA-N 2 1 398.595 3.728 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C3([NH3+])Cc4ccccc4C3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046364 1031227298 /nfs/dbraw/zinc/22/72/98/1031227298.db2.gz BJKBXMKVRGXPKC-JOCHJYFZSA-N 2 1 397.522 3.699 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)c3ccc4c(n3)CC[NH2+]C4)cccc2[C@H](c2ccccc2)C1 ZINC001219048838 1031231229 /nfs/dbraw/zinc/23/12/29/1031231229.db2.gz JKFRLRRQFOMBLX-FQEVSTJZSA-N 2 1 398.510 3.557 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(SC)c1 ZINC001219121536 1031261922 /nfs/dbraw/zinc/26/19/22/1031261922.db2.gz GSPDDIHXKXXMQZ-MRXNPFEDSA-N 2 1 399.004 3.942 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1C ZINC001225132043 1031272912 /nfs/dbraw/zinc/27/29/12/1031272912.db2.gz ZOTRKWOOEOSKOZ-PMACEKPBSA-N 2 1 386.584 3.687 20 0 GHADMP CCC[C@H]1CN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@H+]1Cc1ccccc1 ZINC001219709914 1031569807 /nfs/dbraw/zinc/56/98/07/1031569807.db2.gz HMNOXPGNMBAWET-NRFANRHFSA-N 2 1 395.551 3.662 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161712 1031807729 /nfs/dbraw/zinc/80/77/29/1031807729.db2.gz FHXGCLKKXFZPSN-ILBGXUMGSA-N 2 1 391.559 3.727 20 0 GHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC001220636728 1032035743 /nfs/dbraw/zinc/03/57/43/1032035743.db2.gz OAYHCNXAGROVKS-DENIHFKCSA-N 2 1 388.600 3.940 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001156965288 1033345606 /nfs/dbraw/zinc/34/56/06/1033345606.db2.gz SMBONBYOPLCCBS-FPOVZHCZSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001156965288 1033345622 /nfs/dbraw/zinc/34/56/22/1033345622.db2.gz SMBONBYOPLCCBS-FPOVZHCZSA-N 2 1 399.579 3.687 20 0 GHADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001156965288 1033345638 /nfs/dbraw/zinc/34/56/38/1033345638.db2.gz SMBONBYOPLCCBS-FPOVZHCZSA-N 2 1 399.579 3.687 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)n1 ZINC001157269388 1033503610 /nfs/dbraw/zinc/50/36/10/1033503610.db2.gz BEQDOVQFXFOOJN-IRXDYDNUSA-N 2 1 387.597 3.680 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3[C@H](C2)CCC[N@H+]3C)n1 ZINC001157269388 1033503617 /nfs/dbraw/zinc/50/36/17/1033503617.db2.gz BEQDOVQFXFOOJN-IRXDYDNUSA-N 2 1 387.597 3.680 20 0 GHADMP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001205902278 1033627738 /nfs/dbraw/zinc/62/77/38/1033627738.db2.gz JMDOEIYYWQOYGX-JTHBVZDNSA-N 3 1 392.591 3.568 20 0 GHADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC001205912676 1033633014 /nfs/dbraw/zinc/63/30/14/1033633014.db2.gz BIXKBFVDKKNELO-PXNSSMCTSA-N 2 1 384.520 3.842 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC001205912676 1033633021 /nfs/dbraw/zinc/63/30/21/1033633021.db2.gz BIXKBFVDKKNELO-PXNSSMCTSA-N 2 1 384.520 3.842 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CC[C@@H]1F ZINC001206176393 1033754259 /nfs/dbraw/zinc/75/42/59/1033754259.db2.gz ZNHSNCDFYGWOAX-JKSUJKDBSA-N 2 1 378.289 3.772 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(Br)n3)cc2)CC[C@@H]1F ZINC001206176393 1033754276 /nfs/dbraw/zinc/75/42/76/1033754276.db2.gz ZNHSNCDFYGWOAX-JKSUJKDBSA-N 2 1 378.289 3.772 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)ccc1OC(=O)c1cccs1 ZINC001206305447 1033788823 /nfs/dbraw/zinc/78/88/23/1033788823.db2.gz ZNZAYRCMUFFGNG-NRFANRHFSA-N 2 1 388.533 3.927 20 0 GHADMP O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157967517 1033841092 /nfs/dbraw/zinc/84/10/92/1033841092.db2.gz DPYALEIFZTWBHM-UNMCSNQZSA-N 2 1 397.950 3.725 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2ccc(Cl)c(I)c2)CC1 ZINC001206506798 1033880675 /nfs/dbraw/zinc/88/06/75/1033880675.db2.gz QFVVTXRNJQLNND-UHFFFAOYSA-N 2 1 378.685 3.505 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccc(-c4cccs4)s3)s2)C[C@@H]1O ZINC001206525373 1033890707 /nfs/dbraw/zinc/89/07/07/1033890707.db2.gz OKVRADGLHJXQOZ-JSGCOSHPSA-N 2 1 376.572 3.957 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc(-c4cccs4)s3)s2)C[C@@H]1O ZINC001206525373 1033890723 /nfs/dbraw/zinc/89/07/23/1033890723.db2.gz OKVRADGLHJXQOZ-JSGCOSHPSA-N 2 1 376.572 3.957 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H](C)[NH2+][C@@H](C)C3)n2)CCC4)CC1 ZINC001158176449 1033954433 /nfs/dbraw/zinc/95/44/33/1033954433.db2.gz FJVNSSSJXXJSGI-IYBDPMFKSA-N 2 1 399.608 3.599 20 0 GHADMP COc1ccccc1C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001206722671 1033957981 /nfs/dbraw/zinc/95/79/81/1033957981.db2.gz RFPBPBFPMYMUTP-UHFFFAOYSA-N 2 1 380.532 3.907 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001206748610 1033967236 /nfs/dbraw/zinc/96/72/36/1033967236.db2.gz IMKNZKVYXIPPFW-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001206756520 1033971666 /nfs/dbraw/zinc/97/16/66/1033971666.db2.gz RJESGKRCFIHPCE-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP Cc1ccc(-c2nc3ccccc3c(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)n2)cc1 ZINC001158262125 1033992790 /nfs/dbraw/zinc/99/27/90/1033992790.db2.gz RKBISNKMABEJHI-LJQANCHMSA-N 2 1 387.531 3.607 20 0 GHADMP Cc1ccc(-c2nc3ccccc3c(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)n2)cc1 ZINC001158262125 1033992800 /nfs/dbraw/zinc/99/28/00/1033992800.db2.gz RKBISNKMABEJHI-LJQANCHMSA-N 2 1 387.531 3.607 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C)C(C)(C)CC2)c1 ZINC001230385314 1034025108 /nfs/dbraw/zinc/02/51/08/1034025108.db2.gz BXKRZOBHJLTXSX-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC001230385314 1034025123 /nfs/dbraw/zinc/02/51/23/1034025123.db2.gz BXKRZOBHJLTXSX-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC001230385314 1034025134 /nfs/dbraw/zinc/02/51/34/1034025134.db2.gz BXKRZOBHJLTXSX-UHFFFAOYSA-N 2 1 388.600 3.934 20 0 GHADMP Nc1cccc(C[NH+]2CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)c1 ZINC001158481732 1034100737 /nfs/dbraw/zinc/10/07/37/1034100737.db2.gz KXEWDZJQCKWLMX-UHFFFAOYSA-N 2 1 387.531 3.739 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207211998 1034178650 /nfs/dbraw/zinc/17/86/50/1034178650.db2.gz FEKQXHKLIHPBEA-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207211998 1034178654 /nfs/dbraw/zinc/17/86/54/1034178654.db2.gz FEKQXHKLIHPBEA-HXUWFJFHSA-N 2 1 387.568 3.840 20 0 GHADMP O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291206 1034241632 /nfs/dbraw/zinc/24/16/32/1034241632.db2.gz MGYZXEUADYGHEY-VWLOTQADSA-N 2 1 395.591 3.623 20 0 GHADMP COc1cccnc1O[C@@H]1CCC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293436 1034245820 /nfs/dbraw/zinc/24/58/20/1034245820.db2.gz JDMNQMUCWWHZJG-JOCHJYFZSA-N 2 1 395.547 3.846 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001230866854 1034259696 /nfs/dbraw/zinc/25/96/96/1034259696.db2.gz FVJPKQFBHQRWQY-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001230866854 1034259708 /nfs/dbraw/zinc/25/97/08/1034259708.db2.gz FVJPKQFBHQRWQY-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001230866854 1034259715 /nfs/dbraw/zinc/25/97/15/1034259715.db2.gz FVJPKQFBHQRWQY-LEWJYISDSA-N 2 1 386.584 3.555 20 0 GHADMP CC[N@@H+](CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC001158772138 1034266608 /nfs/dbraw/zinc/26/66/08/1034266608.db2.gz QKFQKIZKQMKOGJ-QHCPKHFHSA-N 2 1 383.580 3.620 20 0 GHADMP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCC34CC[NH+](CC3)CC4)c12 ZINC001158828853 1034291077 /nfs/dbraw/zinc/29/10/77/1034291077.db2.gz PPFNTJBUZMUCOG-UHFFFAOYSA-N 2 1 375.520 3.994 20 0 GHADMP CC1(C)C[C@H](C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CCO1 ZINC001207357246 1034301357 /nfs/dbraw/zinc/30/13/57/1034301357.db2.gz LMGCRBOBWLZFAV-AKFKNWHVSA-N 2 1 390.612 3.652 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)CCO1 ZINC001207357246 1034301376 /nfs/dbraw/zinc/30/13/76/1034301376.db2.gz LMGCRBOBWLZFAV-AKFKNWHVSA-N 2 1 390.612 3.652 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)CCO1 ZINC001207357246 1034301395 /nfs/dbraw/zinc/30/13/95/1034301395.db2.gz LMGCRBOBWLZFAV-AKFKNWHVSA-N 2 1 390.612 3.652 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001207395787 1034339839 /nfs/dbraw/zinc/33/98/39/1034339839.db2.gz XRIROBJKRHOXST-PMACEKPBSA-N 2 1 379.589 3.687 20 0 GHADMP COc1cccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001207426671 1034361810 /nfs/dbraw/zinc/36/18/10/1034361810.db2.gz ABUFKMFYYXFEHZ-UHFFFAOYSA-N 2 1 380.532 3.605 20 0 GHADMP O=C([C@H]1CCC[C@H](c2ccccc2)[NH2+]1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977024 1034366888 /nfs/dbraw/zinc/36/68/88/1034366888.db2.gz PZHPADBBFFTZKF-FGZHOGPDSA-N 2 1 381.564 3.737 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207483205 1034393778 /nfs/dbraw/zinc/39/37/78/1034393778.db2.gz UWMMYOGFLDMQNI-HXUWFJFHSA-N 3 1 391.625 3.535 20 0 GHADMP CC(C)c1ccc(CC[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc1 ZINC001207520768 1034424165 /nfs/dbraw/zinc/42/41/65/1034424165.db2.gz IYRVBAQNJCTHHG-UHFFFAOYSA-N 2 1 396.579 3.655 20 0 GHADMP CC(C)c1ccc(CC[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001207520768 1034424173 /nfs/dbraw/zinc/42/41/73/1034424173.db2.gz IYRVBAQNJCTHHG-UHFFFAOYSA-N 2 1 396.579 3.655 20 0 GHADMP CC(C)c1ccc(CC[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)cc1 ZINC001207520768 1034424177 /nfs/dbraw/zinc/42/41/77/1034424177.db2.gz IYRVBAQNJCTHHG-UHFFFAOYSA-N 2 1 396.579 3.655 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3CCCC2CCCCC2)CC1 ZINC001207607159 1034483559 /nfs/dbraw/zinc/48/35/59/1034483559.db2.gz IPJRNBOLPPJEEN-FGZHOGPDSA-N 2 1 375.601 3.754 20 0 GHADMP COCCn1ccc2c1nc[nH+]c2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001159292998 1034527997 /nfs/dbraw/zinc/52/79/97/1034527997.db2.gz BIBFBLWWWRSGBM-OWZKRDHZSA-N 2 1 391.519 3.685 20 0 GHADMP COCCn1ccc2c1nc[nH+]c2N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001159292998 1034528008 /nfs/dbraw/zinc/52/80/08/1034528008.db2.gz BIBFBLWWWRSGBM-OWZKRDHZSA-N 2 1 391.519 3.685 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@H+](C)CCC[NH+]1CCCC1 ZINC001207822597 1034599448 /nfs/dbraw/zinc/59/94/48/1034599448.db2.gz OPYOCHHRKNLWQO-DLBZAZTESA-N 2 1 389.531 3.542 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)[C@@H]1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC001207822597 1034599453 /nfs/dbraw/zinc/59/94/53/1034599453.db2.gz OPYOCHHRKNLWQO-DLBZAZTESA-N 2 1 389.531 3.542 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)s1 ZINC001231500024 1034642683 /nfs/dbraw/zinc/64/26/83/1034642683.db2.gz PLYWODZGCCTGAB-IBGZPJMESA-N 2 1 385.577 3.961 20 0 GHADMP C[C@H](C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1)c1ccccc1 ZINC001207906747 1034650069 /nfs/dbraw/zinc/65/00/69/1034650069.db2.gz ODIFEFDNXUNRRN-NFBKMPQASA-N 2 1 379.548 3.941 20 0 GHADMP C[C@@H](C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2)c1ccccc1 ZINC001207907908 1034651134 /nfs/dbraw/zinc/65/11/34/1034651134.db2.gz YKVFHQHGZSHDFZ-NRFANRHFSA-N 2 1 379.548 3.800 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c[nH]c3cnccc13)CC2 ZINC001231516695 1034666926 /nfs/dbraw/zinc/66/69/26/1034666926.db2.gz KSHZEVGALWUUCH-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231534264 1034689301 /nfs/dbraw/zinc/68/93/01/1034689301.db2.gz VAHZNQDBCUQVMC-WWNPGLIZSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231534264 1034689308 /nfs/dbraw/zinc/68/93/08/1034689308.db2.gz VAHZNQDBCUQVMC-WWNPGLIZSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231534264 1034689315 /nfs/dbraw/zinc/68/93/15/1034689315.db2.gz VAHZNQDBCUQVMC-WWNPGLIZSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cn1 ZINC001231534264 1034689320 /nfs/dbraw/zinc/68/93/20/1034689320.db2.gz VAHZNQDBCUQVMC-WWNPGLIZSA-N 2 1 394.563 3.996 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@]3(CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001208105709 1034739653 /nfs/dbraw/zinc/73/96/53/1034739653.db2.gz BATZWLKUDUBLTD-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP CCOC(=O)[C@@H]([NH3+])Cc1ccc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)cc1 ZINC001159846300 1034761436 /nfs/dbraw/zinc/76/14/36/1034761436.db2.gz RLPVWYVZFXEUAM-QFIPXVFZSA-N 2 1 399.510 3.988 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CCCC1 ZINC001208185504 1034783413 /nfs/dbraw/zinc/78/34/13/1034783413.db2.gz OZKZKULFEQXTRD-GCJKJVERSA-N 2 1 397.579 3.779 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)c2ccccc12 ZINC001208239786 1034828949 /nfs/dbraw/zinc/82/89/49/1034828949.db2.gz JRRMVLOCHVBOGH-GOSISDBHSA-N 2 1 398.551 3.728 20 0 GHADMP Cc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001160226047 1034908864 /nfs/dbraw/zinc/90/88/64/1034908864.db2.gz LVASMYBEXXCJSA-UHFFFAOYSA-N 2 1 381.520 3.702 20 0 GHADMP CC[NH+]1CCC(C[N@@H+]2CCc3nc(C(=O)Nc4ccccc4)sc3CC2)CC1 ZINC001208601437 1034952009 /nfs/dbraw/zinc/95/20/09/1034952009.db2.gz ZDACSRPNQWNKSE-UHFFFAOYSA-N 2 1 398.576 3.528 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)c1-c1ccccc1 ZINC001208616113 1034955570 /nfs/dbraw/zinc/95/55/70/1034955570.db2.gz ZCZKMWDQYUOKHD-MJGOQNOKSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)c1-c1ccccc1 ZINC001208616113 1034955576 /nfs/dbraw/zinc/95/55/76/1034955576.db2.gz ZCZKMWDQYUOKHD-MJGOQNOKSA-N 2 1 398.576 3.900 20 0 GHADMP CC(=O)Nc1snc([C@H]2CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)c1-c1ccccc1 ZINC001208616113 1034955577 /nfs/dbraw/zinc/95/55/77/1034955577.db2.gz ZCZKMWDQYUOKHD-MJGOQNOKSA-N 2 1 398.576 3.900 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@H]4COC5(CCCCC5)O4)CC[C@@H]3C2)cc1 ZINC001208648694 1034967293 /nfs/dbraw/zinc/96/72/93/1034967293.db2.gz QPXLBGXYQDILFH-VJBWXMMDSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@H]4COC5(CCCCC5)O4)CC[C@@H]3C2)cc1 ZINC001208648694 1034967299 /nfs/dbraw/zinc/96/72/99/1034967299.db2.gz QPXLBGXYQDILFH-VJBWXMMDSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@H]4COC5(CCCCC5)O4)CC[C@@H]3C2)cc1 ZINC001208648694 1034967300 /nfs/dbraw/zinc/96/73/00/1034967300.db2.gz QPXLBGXYQDILFH-VJBWXMMDSA-N 2 1 384.564 3.906 20 0 GHADMP COc1cccc2c(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c[nH]c21 ZINC001231894530 1034973914 /nfs/dbraw/zinc/97/39/14/1034973914.db2.gz BMBAJLTVDUHHNF-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1cccc2c(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c[nH]c21 ZINC001231894530 1034973919 /nfs/dbraw/zinc/97/39/19/1034973919.db2.gz BMBAJLTVDUHHNF-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1cccc2c(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c[nH]c21 ZINC001231894530 1034973922 /nfs/dbraw/zinc/97/39/22/1034973922.db2.gz BMBAJLTVDUHHNF-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1cccc2c(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c[nH]c21 ZINC001231894530 1034973927 /nfs/dbraw/zinc/97/39/27/1034973927.db2.gz BMBAJLTVDUHHNF-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP C[NH+]1CCC(CN2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001208692624 1034981763 /nfs/dbraw/zinc/98/17/63/1034981763.db2.gz YXQIBIWCVNRLBV-UHFFFAOYSA-N 2 1 383.502 3.597 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cnc1F ZINC001231929121 1034995491 /nfs/dbraw/zinc/99/54/91/1034995491.db2.gz WEQMBPXLTQKLPI-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP Clc1ccc(CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc1 ZINC001208745200 1034996180 /nfs/dbraw/zinc/99/61/80/1034996180.db2.gz XCHVIZNHDMIZLK-PUHATCMVSA-N 2 1 398.982 3.954 20 0 GHADMP Clc1ccc(CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001208745200 1034996185 /nfs/dbraw/zinc/99/61/85/1034996185.db2.gz XCHVIZNHDMIZLK-PUHATCMVSA-N 2 1 398.982 3.954 20 0 GHADMP Clc1ccc(CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc1 ZINC001208745200 1034996187 /nfs/dbraw/zinc/99/61/87/1034996187.db2.gz XCHVIZNHDMIZLK-PUHATCMVSA-N 2 1 398.982 3.954 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001160546174 1034999320 /nfs/dbraw/zinc/99/93/20/1034999320.db2.gz JNLZEGUKXPADHX-GGAORHGYSA-N 2 1 395.547 3.515 20 0 GHADMP FC(F)(F)c1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001231963155 1035010612 /nfs/dbraw/zinc/01/06/12/1035010612.db2.gz PXTHZNSUZLKFGK-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP FC(F)(F)c1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001231963155 1035010616 /nfs/dbraw/zinc/01/06/16/1035010616.db2.gz PXTHZNSUZLKFGK-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP [NH3+][C@@H](CC1CCC1)C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160684411 1035035430 /nfs/dbraw/zinc/03/54/30/1035035430.db2.gz ULKULGHEXGYWES-ZEQRLZLVSA-N 2 1 391.559 3.807 20 0 GHADMP Fc1cccc(N2CCOC[C@@]3(CCC[N@@H+](Cc4cc5c[nH+]ccc5[nH]4)C3)C2)c1 ZINC001232014964 1035045827 /nfs/dbraw/zinc/04/58/27/1035045827.db2.gz PRBHNUXCUYPVHG-HSZRJFAPSA-N 2 1 394.494 3.821 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC001160744224 1035053011 /nfs/dbraw/zinc/05/30/11/1035053011.db2.gz YWQIFEBVGQDDLA-HZPDHXFCSA-N 2 1 393.388 3.571 20 0 GHADMP CN1c2ccccc2[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1=O ZINC001208933054 1035096960 /nfs/dbraw/zinc/09/69/60/1035096960.db2.gz CJXQHBKHPLHPRP-PXDATVDWSA-N 2 1 389.543 3.519 20 0 GHADMP CN1c2ccccc2[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1=O ZINC001208933054 1035096970 /nfs/dbraw/zinc/09/69/70/1035096970.db2.gz CJXQHBKHPLHPRP-PXDATVDWSA-N 2 1 389.543 3.519 20 0 GHADMP CN1c2ccccc2[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1=O ZINC001208933054 1035096978 /nfs/dbraw/zinc/09/69/78/1035096978.db2.gz CJXQHBKHPLHPRP-PXDATVDWSA-N 2 1 389.543 3.519 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936221 1035103318 /nfs/dbraw/zinc/10/33/18/1035103318.db2.gz MUESGIVULCHKNA-UPVQGACJSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936221 1035103325 /nfs/dbraw/zinc/10/33/25/1035103325.db2.gz MUESGIVULCHKNA-UPVQGACJSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936221 1035103330 /nfs/dbraw/zinc/10/33/30/1035103330.db2.gz MUESGIVULCHKNA-UPVQGACJSA-N 2 1 383.580 3.622 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208936191 1035103746 /nfs/dbraw/zinc/10/37/46/1035103746.db2.gz NRUZQVNYAAOMJU-DQEYMECFSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208936191 1035103751 /nfs/dbraw/zinc/10/37/51/1035103751.db2.gz NRUZQVNYAAOMJU-DQEYMECFSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208936191 1035103754 /nfs/dbraw/zinc/10/37/54/1035103754.db2.gz NRUZQVNYAAOMJU-DQEYMECFSA-N 2 1 399.623 3.721 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208937746 1035104931 /nfs/dbraw/zinc/10/49/31/1035104931.db2.gz SSIXOLHUSLDOTA-OAQYLSRUSA-N 2 1 394.563 3.577 20 0 GHADMP CC(C)Oc1ncnc2c1CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208937746 1035104938 /nfs/dbraw/zinc/10/49/38/1035104938.db2.gz SSIXOLHUSLDOTA-OAQYLSRUSA-N 2 1 394.563 3.577 20 0 GHADMP CC(C)Oc1ncnc2c1CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208937746 1035104940 /nfs/dbraw/zinc/10/49/40/1035104940.db2.gz SSIXOLHUSLDOTA-OAQYLSRUSA-N 2 1 394.563 3.577 20 0 GHADMP CC(C)Oc1ncnc2c1CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208937746 1035104942 /nfs/dbraw/zinc/10/49/42/1035104942.db2.gz SSIXOLHUSLDOTA-OAQYLSRUSA-N 2 1 394.563 3.577 20 0 GHADMP C[C@](O)(C1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC001208938690 1035106563 /nfs/dbraw/zinc/10/65/63/1035106563.db2.gz DCTGZQGWDQJBOR-QUCCMNQESA-N 2 1 384.486 3.924 20 0 GHADMP C[C@](O)(C1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC001208938690 1035106568 /nfs/dbraw/zinc/10/65/68/1035106568.db2.gz DCTGZQGWDQJBOR-QUCCMNQESA-N 2 1 384.486 3.924 20 0 GHADMP O=C(C1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)N1CCCCC1 ZINC001208938183 1035107049 /nfs/dbraw/zinc/10/70/49/1035107049.db2.gz XOSNBKHJPSWWIY-JOCHJYFZSA-N 2 1 383.580 3.623 20 0 GHADMP Cc1cc(OC2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)ncn1 ZINC001208939600 1035107855 /nfs/dbraw/zinc/10/78/55/1035107855.db2.gz DECKUKVJNBNFTK-OAQYLSRUSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC001208945347 1035115353 /nfs/dbraw/zinc/11/53/53/1035115353.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 2 1 379.548 3.759 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001208945347 1035115359 /nfs/dbraw/zinc/11/53/59/1035115359.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 2 1 379.548 3.759 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCN3C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001208945347 1035115365 /nfs/dbraw/zinc/11/53/65/1035115365.db2.gz NAZJMSKGTPRQSC-JRFVFWCSSA-N 2 1 379.548 3.759 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208946477 1035117668 /nfs/dbraw/zinc/11/76/68/1035117668.db2.gz QGVBQLMWYNEDJH-PKTZIBPZSA-N 2 1 384.564 3.559 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208951274 1035121910 /nfs/dbraw/zinc/12/19/10/1035121910.db2.gz AYPBGJFYYATDGR-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208951274 1035121916 /nfs/dbraw/zinc/12/19/16/1035121916.db2.gz AYPBGJFYYATDGR-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208951274 1035121920 /nfs/dbraw/zinc/12/19/20/1035121920.db2.gz AYPBGJFYYATDGR-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208951274 1035121928 /nfs/dbraw/zinc/12/19/28/1035121928.db2.gz AYPBGJFYYATDGR-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP O=C1OC2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c2ccccc21 ZINC001208950169 1035122066 /nfs/dbraw/zinc/12/20/66/1035122066.db2.gz QRNRZRNJRLKCOK-FQEVSTJZSA-N 2 1 376.500 3.670 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](C[N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)C2)cc1 ZINC001208950908 1035122434 /nfs/dbraw/zinc/12/24/34/1035122434.db2.gz GGKWORMKJSDNHP-ISJGIBHGSA-N 2 1 398.591 3.664 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](C[NH+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)C2)cc1 ZINC001208950908 1035122439 /nfs/dbraw/zinc/12/24/39/1035122439.db2.gz GGKWORMKJSDNHP-ISJGIBHGSA-N 2 1 398.591 3.664 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)C2)cc1 ZINC001208950908 1035122443 /nfs/dbraw/zinc/12/24/43/1035122443.db2.gz GGKWORMKJSDNHP-ISJGIBHGSA-N 2 1 398.591 3.664 20 0 GHADMP O=C1Nc2c(cccc2F)C12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208952388 1035124930 /nfs/dbraw/zinc/12/49/30/1035124930.db2.gz RPJVUQQGPYCHIC-LJQANCHMSA-N 2 1 393.506 3.634 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1 ZINC001232147590 1035125169 /nfs/dbraw/zinc/12/51/69/1035125169.db2.gz CVIMVILBVKMUGS-OAQYLSRUSA-N 2 1 387.524 3.578 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC001232146680 1035125183 /nfs/dbraw/zinc/12/51/83/1035125183.db2.gz YCENBRGJUYRNKM-INIZCTEOSA-N 2 1 379.520 3.576 20 0 GHADMP CN(C[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952549 1035125813 /nfs/dbraw/zinc/12/58/13/1035125813.db2.gz KNIUDCFXPVBNMG-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@H]1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952549 1035125818 /nfs/dbraw/zinc/12/58/18/1035125818.db2.gz KNIUDCFXPVBNMG-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952549 1035125821 /nfs/dbraw/zinc/12/58/21/1035125821.db2.gz KNIUDCFXPVBNMG-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP C[C@@H]([NH3+])c1cccc(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)c1 ZINC001161057740 1035128499 /nfs/dbraw/zinc/12/84/99/1035128499.db2.gz FOBGSJCACKYGCS-JPYJTQIMSA-N 2 1 377.532 3.976 20 0 GHADMP O=C1c2ccccc2CN1C1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208960119 1035131555 /nfs/dbraw/zinc/13/15/55/1035131555.db2.gz UGVLTWHSYLLEHU-NRFANRHFSA-N 2 1 389.543 3.629 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001209010391 1035148656 /nfs/dbraw/zinc/14/86/56/1035148656.db2.gz ALJWNSVYNLQXKV-CWBXHPNXSA-N 2 1 384.564 3.810 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001209010391 1035148659 /nfs/dbraw/zinc/14/86/59/1035148659.db2.gz ALJWNSVYNLQXKV-CWBXHPNXSA-N 2 1 384.564 3.810 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001232189436 1035153872 /nfs/dbraw/zinc/15/38/72/1035153872.db2.gz GDYGYCARAIJBLC-DHIUTWEWSA-N 2 1 377.532 3.907 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)c1 ZINC001232189436 1035153877 /nfs/dbraw/zinc/15/38/77/1035153877.db2.gz GDYGYCARAIJBLC-DHIUTWEWSA-N 2 1 377.532 3.907 20 0 GHADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](CCCCCc4ccccc4)C3)O2)CC1 ZINC001209229142 1035212304 /nfs/dbraw/zinc/21/23/04/1035212304.db2.gz CWPGFBZNLLSISQ-JWQCQUIFSA-N 2 1 399.623 3.660 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](CCCCCc4ccccc4)C3)O2)CC1 ZINC001209229142 1035212309 /nfs/dbraw/zinc/21/23/09/1035212309.db2.gz CWPGFBZNLLSISQ-JWQCQUIFSA-N 2 1 399.623 3.660 20 0 GHADMP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](CCCCCc4ccccc4)C3)O2)CC1 ZINC001209229142 1035212314 /nfs/dbraw/zinc/21/23/14/1035212314.db2.gz CWPGFBZNLLSISQ-JWQCQUIFSA-N 2 1 399.623 3.660 20 0 GHADMP CC(C)N(C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CC[NH2+]C1 ZINC001161351996 1035214024 /nfs/dbraw/zinc/21/40/24/1035214024.db2.gz OWZMXHNTRKOURH-KRWDZBQOSA-N 2 1 398.378 3.804 20 0 GHADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)C[C@H]([NH3+])c2cccc3ccccc32)C1 ZINC001161386214 1035220166 /nfs/dbraw/zinc/22/01/66/1035220166.db2.gz GXMGZVMFTSHNLD-RXVVDRJESA-N 2 1 375.472 3.613 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3ncc4c(n3)C[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161461247 1035236099 /nfs/dbraw/zinc/23/60/99/1035236099.db2.gz JOQXUEWQDCUSQE-FCHUYYIVSA-N 2 1 385.515 3.550 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC001209451716 1035277880 /nfs/dbraw/zinc/27/78/80/1035277880.db2.gz OTCVEIXDZODJPL-QHCPKHFHSA-N 2 1 385.596 3.618 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451716 1035277882 /nfs/dbraw/zinc/27/78/82/1035277882.db2.gz OTCVEIXDZODJPL-QHCPKHFHSA-N 3 1 385.596 3.618 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451716 1035277887 /nfs/dbraw/zinc/27/78/87/1035277887.db2.gz OTCVEIXDZODJPL-QHCPKHFHSA-N 3 1 385.596 3.618 20 0 GHADMP O=C(NC1CC[NH+](CCC[NH+]2CCCCC2)CC1)c1ccccc1C(F)(F)F ZINC001209454719 1035278136 /nfs/dbraw/zinc/27/81/36/1035278136.db2.gz SLUMPGVTINAWQE-UHFFFAOYSA-N 2 1 397.485 3.776 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c4ccccc4nn3C)C[C@H]21 ZINC001209537896 1035308371 /nfs/dbraw/zinc/30/83/71/1035308371.db2.gz ZCJZOJZMIJEGGW-QTGUNEKASA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc2ccccc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209537896 1035308377 /nfs/dbraw/zinc/30/83/77/1035308377.db2.gz ZCJZOJZMIJEGGW-QTGUNEKASA-N 2 1 389.547 3.701 20 0 GHADMP Cn1nc2ccccc2c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001209537896 1035308380 /nfs/dbraw/zinc/30/83/80/1035308380.db2.gz ZCJZOJZMIJEGGW-QTGUNEKASA-N 2 1 389.547 3.701 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccnc(OC)c2)CC3)c1 ZINC001209640144 1035340272 /nfs/dbraw/zinc/34/02/72/1035340272.db2.gz XROVYSSIDSCVMK-UHFFFAOYSA-N 2 1 381.520 3.587 20 0 GHADMP CC[NH+]1CCC(Cc2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CC1 ZINC001248137634 1035556810 /nfs/dbraw/zinc/55/68/10/1035556810.db2.gz SZTKTGMZYUDYEV-HXUWFJFHSA-N 2 1 395.482 3.882 20 0 GHADMP COc1ccc(CN2CC[NH+](C)CC2)cc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241507856 1035600878 /nfs/dbraw/zinc/60/08/78/1035600878.db2.gz RPIHDVDTEVYYCF-UHFFFAOYSA-N 2 1 391.559 3.732 20 0 GHADMP CC1([NH+]2CCCC2)CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001248224020 1035656969 /nfs/dbraw/zinc/65/69/69/1035656969.db2.gz PBHKXCRJHZMHTB-YNEXMFEJSA-N 2 1 398.595 3.605 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc3nc(C)ccc13)C2 ZINC001248560214 1035957156 /nfs/dbraw/zinc/95/71/56/1035957156.db2.gz LNQFPWAWDPLTGN-QPPBQGQZSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc3nc(C)ccc13)C2 ZINC001248560214 1035957161 /nfs/dbraw/zinc/95/71/61/1035957161.db2.gz LNQFPWAWDPLTGN-QPPBQGQZSA-N 2 1 379.548 3.724 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc3nc(C)ccc13)C2 ZINC001248560214 1035957172 /nfs/dbraw/zinc/95/71/72/1035957172.db2.gz LNQFPWAWDPLTGN-QPPBQGQZSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1cccc(Br)c1C[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001248608213 1035987152 /nfs/dbraw/zinc/98/71/52/1035987152.db2.gz IEHSWICCCXYBIU-CALCHBBNSA-N 2 1 386.337 3.716 20 0 GHADMP Cc1cccc(Br)c1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001248608213 1035987159 /nfs/dbraw/zinc/98/71/59/1035987159.db2.gz IEHSWICCCXYBIU-CALCHBBNSA-N 2 1 386.337 3.716 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[NH+](C2CCC2)CC1)c1ccc(Cl)cc1 ZINC001248622121 1035996940 /nfs/dbraw/zinc/99/69/40/1035996940.db2.gz RDIRLAHQSGGABJ-HXUWFJFHSA-N 2 1 392.975 3.603 20 0 GHADMP CCC1CCC(c2ccc(-c3noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n3)cc2)CC1 ZINC001248638778 1036019835 /nfs/dbraw/zinc/01/98/35/1036019835.db2.gz HCWZDYXNSYEKCQ-JMLCCBQJSA-N 2 1 384.528 3.683 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c(F)c1OC ZINC001248754999 1036113289 /nfs/dbraw/zinc/11/32/89/1036113289.db2.gz QBOJKJMXNWMBBU-UHFFFAOYSA-N 2 1 388.483 3.924 20 0 GHADMP Cc1cc(F)cc(-c2ccc(COC3CC[NH2+]CC3)cc2)c1C[NH+]1CCOCC1 ZINC001245411340 1036912988 /nfs/dbraw/zinc/91/29/88/1036912988.db2.gz ZQPQTRXQCFETKU-UHFFFAOYSA-N 2 1 398.522 3.902 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@H]2c2cc(F)c(F)c(F)c2)CC1(C)C ZINC001462148067 1070033664 /nfs/dbraw/zinc/03/36/64/1070033664.db2.gz MUXPVXJITZETJN-QFBILLFUSA-N 2 1 383.502 3.746 20 0 GHADMP Cc1ccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1Cl ZINC001245820554 1037012521 /nfs/dbraw/zinc/01/25/21/1037012521.db2.gz CNPAZVROKXNFFM-UHFFFAOYSA-N 2 1 375.929 3.604 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246036987 1037151624 /nfs/dbraw/zinc/15/16/24/1037151624.db2.gz WBWCDPUWPSZTPN-VXKWHMMOSA-N 2 1 394.987 3.504 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246036987 1037151628 /nfs/dbraw/zinc/15/16/28/1037151628.db2.gz WBWCDPUWPSZTPN-VXKWHMMOSA-N 2 1 394.987 3.504 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054894 1037168476 /nfs/dbraw/zinc/16/84/76/1037168476.db2.gz LFERUZNJZXKFJF-OAQYLSRUSA-N 2 1 378.438 3.700 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001246054894 1037168484 /nfs/dbraw/zinc/16/84/84/1037168484.db2.gz LFERUZNJZXKFJF-OAQYLSRUSA-N 2 1 378.438 3.700 20 0 GHADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CCN2)cc1 ZINC001246132242 1037208132 /nfs/dbraw/zinc/20/81/32/1037208132.db2.gz OTRRJIBKRPSNGG-BAGYTPMASA-N 2 1 377.532 3.715 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC4(CC[NH2+]CC4)Oc4ccccc43)CC[NH2+]2)cc1 ZINC001246133045 1037208557 /nfs/dbraw/zinc/20/85/57/1037208557.db2.gz PHAUZZADJSPEBR-MQSCRBSSSA-N 3 1 391.559 3.585 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H](C2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246186428 1037225883 /nfs/dbraw/zinc/22/58/83/1037225883.db2.gz AALCCKFNOSWVAG-JSJNYSNDSA-N 2 1 383.502 3.948 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCc2ccccc2)cc1 ZINC001246257126 1037256914 /nfs/dbraw/zinc/25/69/14/1037256914.db2.gz UEFKAGJXLCQMTK-BESBDSHLSA-N 2 1 394.515 3.742 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccccc2Cl)CC[NH2+]1 ZINC001246273137 1037268341 /nfs/dbraw/zinc/26/83/41/1037268341.db2.gz SJZPLGLWMDKEDQ-LQWHRVPQSA-N 2 1 376.903 3.774 20 0 GHADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246274104 1037271256 /nfs/dbraw/zinc/27/12/56/1037271256.db2.gz RZGVQXWTMJIPCU-RTBURBONSA-N 2 1 389.337 3.911 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001246280616 1037273702 /nfs/dbraw/zinc/27/37/02/1037273702.db2.gz QVCNDMNRMSMEEL-DYXWJJEUSA-N 2 1 376.903 3.774 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246280814 1037273816 /nfs/dbraw/zinc/27/38/16/1037273816.db2.gz LKXRILBZDHVCDR-MERXZDIISA-N 2 1 384.605 3.856 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001246339792 1037302303 /nfs/dbraw/zinc/30/23/03/1037302303.db2.gz CDCZZIYYLJJCBX-QHCPKHFHSA-N 3 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)CCN1Cc1ccccc1 ZINC001246339792 1037302319 /nfs/dbraw/zinc/30/23/19/1037302319.db2.gz CDCZZIYYLJJCBX-QHCPKHFHSA-N 2 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@@H](NCc2cccc(N3CC[NH2+]CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC001246339792 1037302338 /nfs/dbraw/zinc/30/23/38/1037302338.db2.gz CDCZZIYYLJJCBX-QHCPKHFHSA-N 2 1 392.591 3.629 20 0 GHADMP CC1(C)C[C@@H](NCc2cccc(N3CC[NH2+]CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC001246339792 1037302360 /nfs/dbraw/zinc/30/23/60/1037302360.db2.gz CDCZZIYYLJJCBX-QHCPKHFHSA-N 2 1 392.591 3.629 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC3(C2)CC[NH2+]CC3)c2ccccc12 ZINC001246357624 1037315742 /nfs/dbraw/zinc/31/57/42/1037315742.db2.gz XBZFWDFHLRFOQG-QUCCMNQESA-N 2 1 397.563 3.948 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)c1 ZINC001246372051 1037328175 /nfs/dbraw/zinc/32/81/75/1037328175.db2.gz BUOGXMYREMMQMC-IRLDBZIGSA-N 2 1 384.495 3.823 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3(c4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246377077 1037334363 /nfs/dbraw/zinc/33/43/63/1037334363.db2.gz YTZHYGFLVIIAFA-DEOSSOPVSA-N 3 1 377.576 3.952 20 0 GHADMP c1ccc(CN2CCC[C@H]([NH2+]CC3(c4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246377077 1037334384 /nfs/dbraw/zinc/33/43/84/1037334384.db2.gz YTZHYGFLVIIAFA-DEOSSOPVSA-N 2 1 377.576 3.952 20 0 GHADMP COc1ccc(C2(N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246379401 1037336396 /nfs/dbraw/zinc/33/63/96/1037336396.db2.gz DJNLYATXVOSYOU-UGKGYDQZSA-N 2 1 379.548 3.527 20 0 GHADMP COc1ccc(C2(N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC[NH2+]CC2)cc1 ZINC001246381479 1037340453 /nfs/dbraw/zinc/34/04/53/1037340453.db2.gz RZTSTANZZZDJSM-OFNKIYASSA-N 2 1 393.575 3.917 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]CC2(Cc3cccnc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246411592 1037368330 /nfs/dbraw/zinc/36/83/30/1037368330.db2.gz AYXWTQCVNQKEMN-FYYLOGMGSA-N 3 1 396.554 3.524 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246422673 1037380355 /nfs/dbraw/zinc/38/03/55/1037380355.db2.gz MSHPBAXHBMXMCV-CRAIPNDOSA-N 2 1 398.469 3.996 20 0 GHADMP FC(F)(F)c1cccc(C2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)c1 ZINC001246428893 1037388900 /nfs/dbraw/zinc/38/89/00/1037388900.db2.gz CVVWGOUGTIBDNE-GOSISDBHSA-N 2 1 381.486 3.796 20 0 GHADMP FC(F)(F)c1cccc(C2(N[C@@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)c1 ZINC001246428893 1037388917 /nfs/dbraw/zinc/38/89/17/1037388917.db2.gz CVVWGOUGTIBDNE-GOSISDBHSA-N 2 1 381.486 3.796 20 0 GHADMP Fc1ccccc1CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC001246431652 1037393452 /nfs/dbraw/zinc/39/34/52/1037393452.db2.gz FTHSWEQYQDZYSX-UHFFFAOYSA-N 3 1 395.566 3.992 20 0 GHADMP Fc1ccccc1CC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246435111 1037394865 /nfs/dbraw/zinc/39/48/65/1037394865.db2.gz RXHKMTCJMONFIY-GGAORHGYSA-N 3 1 381.539 3.821 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(Br)cc2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246441877 1037403580 /nfs/dbraw/zinc/40/35/80/1037403580.db2.gz KSMGMDBLUJBXCU-GUDVDZBRSA-N 3 1 380.374 3.663 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246441877 1037403599 /nfs/dbraw/zinc/40/35/99/1037403599.db2.gz KSMGMDBLUJBXCU-GUDVDZBRSA-N 3 1 380.374 3.663 20 0 GHADMP CC(C)OC(=O)CC[C@@H](C)[NH2+]C1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC001246453582 1037414427 /nfs/dbraw/zinc/41/44/27/1037414427.db2.gz XUSBRCMTBQKVTR-OAHLLOKOSA-N 2 1 386.458 3.994 20 0 GHADMP CC1(C)C[C@H](N[C@@H]([C@H]2CCC[NH2+]C2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246480568 1037428026 /nfs/dbraw/zinc/42/80/26/1037428026.db2.gz CSUPLEHZTXNHLW-OTWHNJEPSA-N 2 1 383.502 3.950 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CCc2c(F)cccc2C1)C(=O)OCc1ccccc1 ZINC001246483816 1037430810 /nfs/dbraw/zinc/43/08/10/1037430810.db2.gz DFBMIMRQVFHUBV-DENIHFKCSA-N 2 1 384.495 3.514 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+][C@@H]2CC[NH2+]C(C)(C)C2)C(C)C)cc2ccccc21 ZINC001246485128 1037433237 /nfs/dbraw/zinc/43/32/37/1037433237.db2.gz YDOMVIGRWBBZCR-UTKZUKDTSA-N 2 1 383.536 3.932 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246505371 1037446665 /nfs/dbraw/zinc/44/66/65/1037446665.db2.gz VHFBUJPYBWESEA-GATIMQMVSA-N 2 1 377.576 3.850 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246505371 1037446680 /nfs/dbraw/zinc/44/66/80/1037446680.db2.gz VHFBUJPYBWESEA-GATIMQMVSA-N 2 1 377.576 3.850 20 0 GHADMP CCCC[C@@H]1C[C@H](NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)CC[NH2+]1 ZINC001246516398 1037452637 /nfs/dbraw/zinc/45/26/37/1037452637.db2.gz SAIGCYYXLSQOIH-NJDAHSKKSA-N 2 1 381.992 3.860 20 0 GHADMP O=C1CC[C@@H]([N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC001246602757 1037500198 /nfs/dbraw/zinc/50/01/98/1037500198.db2.gz JIWAPJFARPOJLU-ISKFKSNPSA-N 2 1 383.580 3.814 20 0 GHADMP Brc1ccc(C2CCC([N@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246631148 1037519783 /nfs/dbraw/zinc/51/97/83/1037519783.db2.gz OVIJCBJPIPHEHV-LNXHZJMOSA-N 2 1 393.369 3.786 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[N@@H+]([C@H]3CC[C@]4(c5ccccc5)CC[NH+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657325 1037531099 /nfs/dbraw/zinc/53/10/99/1037531099.db2.gz LODDRRYEOPGXCE-XOGRSFEHSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[NH+]([C@H]3CC[C@]4(c5ccccc5)CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657325 1037531113 /nfs/dbraw/zinc/53/11/13/1037531113.db2.gz LODDRRYEOPGXCE-XOGRSFEHSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@@H]1[C@H]2C[NH+]([C@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657325 1037531130 /nfs/dbraw/zinc/53/11/30/1037531130.db2.gz LODDRRYEOPGXCE-XOGRSFEHSA-N 3 1 387.571 3.640 20 0 GHADMP [NH3+][C@@H]1[C@H]2CN([C@H]3CC[C@]4(c5ccccc5)CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657325 1037531142 /nfs/dbraw/zinc/53/11/42/1037531142.db2.gz LODDRRYEOPGXCE-XOGRSFEHSA-N 2 1 387.571 3.640 20 0 GHADMP [NH3+][C@@H]1[C@H]2CN([C@H]3CC[C@]4(c5ccccc5)CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@H]21 ZINC001246657325 1037531154 /nfs/dbraw/zinc/53/11/54/1037531154.db2.gz LODDRRYEOPGXCE-XOGRSFEHSA-N 2 1 387.571 3.640 20 0 GHADMP c1ccc(C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC[C@@H]2OCc2ccccn2)cc1 ZINC001246656786 1037531254 /nfs/dbraw/zinc/53/12/54/1037531254.db2.gz FJJJUVFOMJWTPH-VDWCEDTGSA-N 2 1 391.559 3.814 20 0 GHADMP c1ccc(N2CCC([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC001246673098 1037540590 /nfs/dbraw/zinc/54/05/90/1037540590.db2.gz OAXZKDILSZZFAH-WIOPSUGQSA-N 2 1 375.560 3.909 20 0 GHADMP F[C@@H]1CC[NH2+]C[C@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690344 1037550892 /nfs/dbraw/zinc/55/08/92/1037550892.db2.gz KIJLMXPFAJSVLV-HXJFWZBSSA-N 2 1 380.548 3.502 20 0 GHADMP COc1ccc(N2C[C@@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246698123 1037556704 /nfs/dbraw/zinc/55/67/04/1037556704.db2.gz WPVLRRUIWPZRAX-REWPJTCUSA-N 2 1 397.563 3.579 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@@H+](C2CCC4(CCC[NH2+]C4)CC2)CC3)cs1 ZINC001246712230 1037565225 /nfs/dbraw/zinc/56/52/25/1037565225.db2.gz YWKXCBMHUPKBSK-UHFFFAOYSA-N 2 1 382.577 3.918 20 0 GHADMP c1ccc(-c2ncnc3c2CC[N@@H+](C2CCC4(CCC[NH2+]C4)CC2)CC3)cc1 ZINC001246738798 1037583641 /nfs/dbraw/zinc/58/36/41/1037583641.db2.gz GRGGAKAMXJMLAG-UHFFFAOYSA-N 2 1 376.548 3.857 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246752419 1037590734 /nfs/dbraw/zinc/59/07/34/1037590734.db2.gz CCTILGVCBLADIC-JTAQYXEDSA-N 2 1 395.572 3.540 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CCN[C@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754997 1037597211 /nfs/dbraw/zinc/59/72/11/1037597211.db2.gz JAYLVPFTPLQEHR-VCOUNFBDSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754997 1037597220 /nfs/dbraw/zinc/59/72/20/1037597220.db2.gz JAYLVPFTPLQEHR-VCOUNFBDSA-N 2 1 381.545 3.670 20 0 GHADMP O=C1C[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CN1c1ccsc1 ZINC001246754997 1037597227 /nfs/dbraw/zinc/59/72/27/1037597227.db2.gz JAYLVPFTPLQEHR-VCOUNFBDSA-N 2 1 381.545 3.670 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246761379 1037604960 /nfs/dbraw/zinc/60/49/60/1037604960.db2.gz BBPZNLMQQFXPIQ-QOEFQVSFSA-N 2 1 391.506 3.560 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC[C@]3(CC[NH2+]C3)C1)C2)C1CCCC1 ZINC001246763440 1037607231 /nfs/dbraw/zinc/60/72/31/1037607231.db2.gz BHSFXHVSQLSVCQ-WZYRSQIMSA-N 2 1 376.585 3.739 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764162 1037607755 /nfs/dbraw/zinc/60/77/55/1037607755.db2.gz FQOYGAYWBLBCTM-DGWCAWEPSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764162 1037607763 /nfs/dbraw/zinc/60/77/63/1037607763.db2.gz FQOYGAYWBLBCTM-DGWCAWEPSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764162 1037607770 /nfs/dbraw/zinc/60/77/70/1037607770.db2.gz FQOYGAYWBLBCTM-DGWCAWEPSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764162 1037607779 /nfs/dbraw/zinc/60/77/79/1037607779.db2.gz FQOYGAYWBLBCTM-DGWCAWEPSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC[NH2+]1 ZINC001246764162 1037607783 /nfs/dbraw/zinc/60/77/83/1037607783.db2.gz FQOYGAYWBLBCTM-DGWCAWEPSA-N 3 1 384.612 3.925 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC[C@]3(CC[NH2+]C3)C1)C2)C1CCCC1 ZINC001246763382 1037608185 /nfs/dbraw/zinc/60/81/85/1037608185.db2.gz BHSFXHVSQLSVCQ-CWBXHPNXSA-N 2 1 376.585 3.739 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246769034 1037610304 /nfs/dbraw/zinc/61/03/04/1037610304.db2.gz WGSBUXDYJRBSKI-JLHGSKIFSA-N 2 1 391.506 3.704 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCC3(CC[NH2+]C3)CC2)CC1 ZINC001246776570 1037617731 /nfs/dbraw/zinc/61/77/31/1037617731.db2.gz ODMNRSSYFGUFCD-UHFFFAOYSA-N 3 1 384.955 3.933 20 0 GHADMP c1ccc(C[C@H]2C[NH2+]CCN2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246819822 1037651829 /nfs/dbraw/zinc/65/18/29/1037651829.db2.gz TVQBLSJULRVIKZ-NDBXHCKUSA-N 2 1 375.560 3.699 20 0 GHADMP C[C@H]1C[C@H](N2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)CC2)C[NH2+]1 ZINC001246839320 1037668095 /nfs/dbraw/zinc/66/80/95/1037668095.db2.gz SUBREZSPTSHJOS-URXFXBBRSA-N 2 1 393.575 3.551 20 0 GHADMP COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246841118 1037668918 /nfs/dbraw/zinc/66/89/18/1037668918.db2.gz TTWOLXVSRUGDMA-AJSBUHFISA-N 2 1 382.548 3.895 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CC[N@H+]3CCc4ccccc4[C@H]3C2)CC[NH2+]1 ZINC001246868287 1037685321 /nfs/dbraw/zinc/68/53/21/1037685321.db2.gz RTHJIZZGMJDWPK-NKKJXINNSA-N 2 1 379.523 3.842 20 0 GHADMP Brc1ccc2c(c1)C[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246881673 1037696863 /nfs/dbraw/zinc/69/68/63/1037696863.db2.gz VMTCTQPJYXNFJY-FCEUIQTBSA-N 2 1 397.360 3.779 20 0 GHADMP CC1(C)[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246924767 1037731731 /nfs/dbraw/zinc/73/17/31/1037731731.db2.gz JQXDJLBSNFQCDG-UMEGOILYSA-N 2 1 390.527 3.691 20 0 GHADMP FC(F)(F)[C@H]1C[C@H]([N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)CCN1 ZINC001246946512 1037750800 /nfs/dbraw/zinc/75/08/00/1037750800.db2.gz NTKIKOFTESJFBQ-IAGOWNOFSA-N 2 1 375.866 3.577 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246960927 1037779680 /nfs/dbraw/zinc/77/96/80/1037779680.db2.gz FAHTWASKBBAYRB-HKUYNNGSSA-N 2 1 392.515 3.510 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246960928 1037781451 /nfs/dbraw/zinc/78/14/51/1037781451.db2.gz FAHTWASKBBAYRB-IEBWSBKVSA-N 2 1 392.515 3.510 20 0 GHADMP CN([C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001246969511 1037791673 /nfs/dbraw/zinc/79/16/73/1037791673.db2.gz PWDPERLEGMRKIQ-SDHSZQHLSA-N 2 1 377.576 3.946 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N(Cc2ccncc2)[C@@H]2CC[NH2+]C2)C3)cc1 ZINC001246967947 1037791873 /nfs/dbraw/zinc/79/18/73/1037791873.db2.gz VLBZSCOQSPHLHR-RCTAOEEJSA-N 2 1 390.575 3.831 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@H](CC)[NH2+]1 ZINC001246971595 1037795473 /nfs/dbraw/zinc/79/54/73/1037795473.db2.gz WBLRIEPDWPJJJB-FZKCQIBNSA-N 2 1 386.462 3.648 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)C[C@H](CC)[NH2+]1 ZINC001246971595 1037795491 /nfs/dbraw/zinc/79/54/91/1037795491.db2.gz WBLRIEPDWPJJJB-FZKCQIBNSA-N 2 1 386.462 3.648 20 0 GHADMP CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246975595 1037800362 /nfs/dbraw/zinc/80/03/62/1037800362.db2.gz MAFSCOOLXYOPKO-DHIUTWEWSA-N 2 1 385.596 3.664 20 0 GHADMP c1ccc([C@@H]2C[C@@H]([NH+]3CCN(c4ccc(-c5ncccn5)cc4)CC3)CCN2)cc1 ZINC001246982304 1037806090 /nfs/dbraw/zinc/80/60/90/1037806090.db2.gz BTRLTFOLQWSYDC-ZEQRLZLVSA-N 2 1 399.542 3.759 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)nc(C)[nH+]1 ZINC001246992514 1037814578 /nfs/dbraw/zinc/81/45/78/1037814578.db2.gz MYCAKKASVLBEAU-RBBKRZOGSA-N 3 1 397.542 3.593 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C2)c1-c1ccccc1 ZINC001246992274 1037815524 /nfs/dbraw/zinc/81/55/24/1037815524.db2.gz VJQHVORSHNGQBC-ZTFGCOKTSA-N 2 1 384.549 3.698 20 0 GHADMP Fc1ccc(N2CCC([NH+]3CCC4(CC3)[NH2+]CCc3ccccc34)CC2)cc1 ZINC001246999219 1037824563 /nfs/dbraw/zinc/82/45/63/1037824563.db2.gz ACSBUABQAUBXOA-UHFFFAOYSA-N 2 1 379.523 3.932 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cn1 ZINC001232326506 1038101788 /nfs/dbraw/zinc/10/17/88/1038101788.db2.gz JLFOSZQONNOICZ-GOSISDBHSA-N 2 1 387.549 3.652 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1nc3ccccc3o1)CC2 ZINC001232556060 1038323300 /nfs/dbraw/zinc/32/33/00/1038323300.db2.gz FNTPOGANLOIOHB-QGZVFWFLSA-N 2 1 381.476 3.676 20 0 GHADMP CCOc1ccnc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232578737 1038346689 /nfs/dbraw/zinc/34/66/89/1038346689.db2.gz GUDYSPIHWSDXEF-JOCHJYFZSA-N 2 1 395.547 3.736 20 0 GHADMP COc1cccc(C)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001232619806 1038407299 /nfs/dbraw/zinc/40/72/99/1038407299.db2.gz GJBFBALCPDMSIS-LJQANCHMSA-N 2 1 384.520 3.852 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+](C)CCC[NH+]3CCCC3)c2n1 ZINC001232644788 1038430785 /nfs/dbraw/zinc/43/07/85/1038430785.db2.gz DYTFOUVZWHLAFT-UHFFFAOYSA-N 2 1 392.341 3.924 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)CCC[NH+]3CCCC3)c2n1 ZINC001232644788 1038430790 /nfs/dbraw/zinc/43/07/90/1038430790.db2.gz DYTFOUVZWHLAFT-UHFFFAOYSA-N 2 1 392.341 3.924 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncc4cnccc43)C[C@H]21 ZINC001232651809 1038440679 /nfs/dbraw/zinc/44/06/79/1038440679.db2.gz WKYQUMVPKKYRKG-NTUVXCKYSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cncc4cnccc43)C[C@H]21 ZINC001232651809 1038440739 /nfs/dbraw/zinc/44/07/39/1038440739.db2.gz WKYQUMVPKKYRKG-NTUVXCKYSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cncc4cnccc43)C[C@H]21 ZINC001232651809 1038440779 /nfs/dbraw/zinc/44/07/79/1038440779.db2.gz WKYQUMVPKKYRKG-NTUVXCKYSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cncc4cnccc43)C[C@H]21 ZINC001232651809 1038440853 /nfs/dbraw/zinc/44/08/53/1038440853.db2.gz WKYQUMVPKKYRKG-NTUVXCKYSA-N 2 1 387.531 3.757 20 0 GHADMP c1cc(-c2noc([C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)cc(-c2ccncc2)c1 ZINC001247905490 1038478178 /nfs/dbraw/zinc/47/81/78/1038478178.db2.gz ORZVSWLFZLXASZ-HXUWFJFHSA-N 2 1 389.503 3.730 20 0 GHADMP Cc1cc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc(C(F)(F)F)c1 ZINC001247906094 1038479336 /nfs/dbraw/zinc/47/93/36/1038479336.db2.gz UNIJIAJGVVUBET-CQSZACIVSA-N 2 1 394.441 3.995 20 0 GHADMP FC(F)(F)Oc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1 ZINC001247908784 1038481981 /nfs/dbraw/zinc/48/19/81/1038481981.db2.gz CCTGGNFLACJQFN-UHFFFAOYSA-N 2 1 396.413 3.567 20 0 GHADMP Cc1nc2cc(-c3noc(C4CC[NH+](C5CC[NH2+]CC5)CC4)n3)ccc2s1 ZINC001247909178 1038481997 /nfs/dbraw/zinc/48/19/97/1038481997.db2.gz IGLWCVGKDODGME-UHFFFAOYSA-N 2 1 383.521 3.586 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cccc(NC(=O)OC(C)(C)C)c1)CC2 ZINC001232720534 1038516685 /nfs/dbraw/zinc/51/66/85/1038516685.db2.gz KDTYPVIUXYWMGX-UHFFFAOYSA-N 2 1 388.512 3.664 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825312 1038578609 /nfs/dbraw/zinc/57/86/09/1038578609.db2.gz PYDAVUJEZZLZJH-NRFANRHFSA-N 2 1 383.536 3.779 20 0 GHADMP CC(C)(O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834513 1038587929 /nfs/dbraw/zinc/58/79/29/1038587929.db2.gz VPXBCKZOWKNJJX-FGZHOGPDSA-N 2 1 379.548 3.653 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834513 1038587933 /nfs/dbraw/zinc/58/79/33/1038587933.db2.gz VPXBCKZOWKNJJX-FGZHOGPDSA-N 2 1 379.548 3.653 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001232834513 1038587938 /nfs/dbraw/zinc/58/79/38/1038587938.db2.gz VPXBCKZOWKNJJX-FGZHOGPDSA-N 2 1 379.548 3.653 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(OCc2ccccc2)cc1F ZINC001232920637 1038710743 /nfs/dbraw/zinc/71/07/43/1038710743.db2.gz KOHQBBMXNGTDKN-BJKOFHAPSA-N 2 1 397.538 3.615 20 0 GHADMP COc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)c1O ZINC001233205034 1038966900 /nfs/dbraw/zinc/96/69/00/1038966900.db2.gz YQODKMROSMRQOC-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)c1O ZINC001233205034 1038966901 /nfs/dbraw/zinc/96/69/01/1038966901.db2.gz YQODKMROSMRQOC-UHFFFAOYSA-N 2 1 385.346 3.716 20 0 GHADMP CCOc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1Cl ZINC001278668442 1039002100 /nfs/dbraw/zinc/00/21/00/1039002100.db2.gz FUYOEKFHTYSAGK-RTWAWAEBSA-N 2 1 379.976 3.825 20 0 GHADMP COC(=O)/C=C/c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001233300009 1039093528 /nfs/dbraw/zinc/09/35/28/1039093528.db2.gz XSJCPKPRRAFUFH-FUNIIJOYSA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001233300009 1039093544 /nfs/dbraw/zinc/09/35/44/1039093544.db2.gz XSJCPKPRRAFUFH-FUNIIJOYSA-N 2 1 390.527 3.827 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001233300009 1039093560 /nfs/dbraw/zinc/09/35/60/1039093560.db2.gz XSJCPKPRRAFUFH-FUNIIJOYSA-N 2 1 390.527 3.827 20 0 GHADMP Cc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc(C)c1OCc1ccccc1 ZINC001233329230 1039124307 /nfs/dbraw/zinc/12/43/07/1039124307.db2.gz NNISGTGDILTNTA-UHFFFAOYSA-N 2 1 381.564 3.562 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc3nccn31)CC2 ZINC001233362183 1039188145 /nfs/dbraw/zinc/18/81/45/1039188145.db2.gz RGCRUEPTSRBUKB-LJQANCHMSA-N 2 1 396.560 3.651 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@H](O)c4ccc(F)cc4)CC3)C2)cc1 ZINC001252845865 1039204895 /nfs/dbraw/zinc/20/48/95/1039204895.db2.gz UWULKAPBELWGSH-QHCPKHFHSA-N 2 1 398.522 3.535 20 0 GHADMP O[C@]1(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252929238 1039265968 /nfs/dbraw/zinc/26/59/68/1039265968.db2.gz DURQZQYGVVVOQM-DEOSSOPVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929238 1039265989 /nfs/dbraw/zinc/26/59/89/1039265989.db2.gz DURQZQYGVVVOQM-DEOSSOPVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252954131 1039297577 /nfs/dbraw/zinc/29/75/77/1039297577.db2.gz QUQWIQMOOMLKQB-QHCPKHFHSA-N 2 1 384.951 3.889 20 0 GHADMP O[C@]1(C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252954131 1039297589 /nfs/dbraw/zinc/29/75/89/1039297589.db2.gz QUQWIQMOOMLKQB-QHCPKHFHSA-N 2 1 384.951 3.889 20 0 GHADMP C[N@H+](Cc1cnnn1Cc1ccccc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001233463749 1039353431 /nfs/dbraw/zinc/35/34/31/1039353431.db2.gz BBYRTQDCDSRJAG-UHFFFAOYSA-N 2 1 389.547 3.670 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001234396373 1040002225 /nfs/dbraw/zinc/00/22/25/1040002225.db2.gz KCYGSUYDQQTXOC-FCHUYYIVSA-N 2 1 386.584 3.557 20 0 GHADMP Clc1cc2[nH]cc(CN3CCc4nccn4CC3)c2c(Br)c1 ZINC001234481014 1040065315 /nfs/dbraw/zinc/06/53/15/1040065315.db2.gz WVBBHWWZDVXXCS-UHFFFAOYSA-N 2 1 379.689 3.839 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001254240191 1040092447 /nfs/dbraw/zinc/09/24/47/1040092447.db2.gz BTWBCRKPCCMUSD-FHWLQOOXSA-N 2 1 393.572 3.675 20 0 GHADMP CCC(CC)[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254242956 1040094752 /nfs/dbraw/zinc/09/47/52/1040094752.db2.gz DYVGNDZKDJCJBC-SZMVWBNQSA-N 2 1 381.561 3.673 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001254308356 1040159586 /nfs/dbraw/zinc/15/95/86/1040159586.db2.gz RGSMWLCJFXEBHJ-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001254308356 1040159592 /nfs/dbraw/zinc/15/95/92/1040159592.db2.gz RGSMWLCJFXEBHJ-BDTNDASRSA-N 2 1 399.579 3.840 20 0 GHADMP C[C@H]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001254427351 1040225870 /nfs/dbraw/zinc/22/58/70/1040225870.db2.gz NMAGLAJQFWSUTO-YGWXTMFKSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)ccc2c[nH+]cn21 ZINC001254448699 1040236922 /nfs/dbraw/zinc/23/69/22/1040236922.db2.gz UUXBATVKJGPQCG-INIZCTEOSA-N 2 1 378.476 3.616 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506575 1040286294 /nfs/dbraw/zinc/28/62/94/1040286294.db2.gz UKPJONDDYVXULL-JTHBVZDNSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccc(OCc2ccccc2)cc1 ZINC001254506575 1040286301 /nfs/dbraw/zinc/28/63/01/1040286301.db2.gz UKPJONDDYVXULL-JTHBVZDNSA-N 2 1 396.531 3.944 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn([C@H]3CCC[N@@H+](C)CC3)c3nccc2-3)cc1 ZINC001254508826 1040287531 /nfs/dbraw/zinc/28/75/31/1040287531.db2.gz RZXLZBINQQXYLT-APWZRJJASA-N 2 1 391.519 3.917 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)c(C(F)(F)F)c2)CC1 ZINC001254512168 1040290223 /nfs/dbraw/zinc/29/02/23/1040290223.db2.gz JMXJXUJCGSFBAJ-MRXNPFEDSA-N 2 1 386.458 3.837 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+][C@H]2CCC[N@H+](C)CC2)C(C)C)cc2ccccc21 ZINC001254514373 1040290634 /nfs/dbraw/zinc/29/06/34/1040290634.db2.gz KXDFQCJNEABVSU-AVRDEDQJSA-N 2 1 383.536 3.885 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+][C@H]2CCC[N@@H+](C)CC2)C(C)C)cc2ccccc21 ZINC001254514373 1040290654 /nfs/dbraw/zinc/29/06/54/1040290654.db2.gz KXDFQCJNEABVSU-AVRDEDQJSA-N 2 1 383.536 3.885 20 0 GHADMP CC(C)C[N@@H+]([C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254693277 1040452051 /nfs/dbraw/zinc/45/20/51/1040452051.db2.gz IRXGLYQMHLKYSO-BZSNNMDCSA-N 2 1 397.629 3.709 20 0 GHADMP Clc1cc(Cl)cc(Oc2cccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)c2)c1 ZINC001234986339 1040483526 /nfs/dbraw/zinc/48/35/26/1040483526.db2.gz ANJJJCPEODCTIL-HXUWFJFHSA-N 2 1 392.330 3.923 20 0 GHADMP CCOC(=O)C1CCN(C2CC[NH+](Cc3cccc(N4CCCC4)c3)CC2)CC1 ZINC001235083794 1040569550 /nfs/dbraw/zinc/56/95/50/1040569550.db2.gz JLGSKXIDKUHBAA-UHFFFAOYSA-N 2 1 399.579 3.526 20 0 GHADMP c1ccc(C(c2ccccc2)[NH+]2CC(CN[C@H]3CC4CC[NH+](CC4)C3)C2)cc1 ZINC001254839239 1040585686 /nfs/dbraw/zinc/58/56/86/1040585686.db2.gz OJMMPGNTAANVQA-DEOSSOPVSA-N 2 1 375.560 3.782 20 0 GHADMP Ic1ccccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153325 1040646271 /nfs/dbraw/zinc/64/62/71/1040646271.db2.gz JMPNQXULOCAEND-KRWDZBQOSA-N 2 1 384.305 3.645 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001254893324 1040647941 /nfs/dbraw/zinc/64/79/41/1040647941.db2.gz KPWRNVCOYXYGDX-HCXYKTFWSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CC[N@H+](C4CCCCC4)C3)C[C@@H]2C1 ZINC001254893324 1040647951 /nfs/dbraw/zinc/64/79/51/1040647951.db2.gz KPWRNVCOYXYGDX-HCXYKTFWSA-N 2 1 377.573 3.629 20 0 GHADMP COc1cc(Br)cc(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235159832 1040654059 /nfs/dbraw/zinc/65/40/59/1040654059.db2.gz PJJDDWGBFRKMNH-KRWDZBQOSA-N 2 1 385.321 3.951 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001235221201 1040703086 /nfs/dbraw/zinc/70/30/86/1040703086.db2.gz IILAZCANAJHNSA-FYYLOGMGSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001235221201 1040703096 /nfs/dbraw/zinc/70/30/96/1040703096.db2.gz IILAZCANAJHNSA-FYYLOGMGSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001235221201 1040703100 /nfs/dbraw/zinc/70/31/00/1040703100.db2.gz IILAZCANAJHNSA-FYYLOGMGSA-N 2 1 398.595 3.603 20 0 GHADMP COc1ccc2c(c1)c(C[NH3+])cn2C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254996594 1040716684 /nfs/dbraw/zinc/71/66/84/1040716684.db2.gz XLISKJWCVJJINF-SEJPIABJSA-N 2 1 391.515 3.713 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCCC1 ZINC001255015882 1040730809 /nfs/dbraw/zinc/73/08/09/1040730809.db2.gz GUYIWWXTIASTCB-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP CCCC[NH+](CCCC)CC[NH2+]C1C[C@@H]2COC[C@H](C1)N2C(=O)OC(C)(C)C ZINC001255052764 1040752843 /nfs/dbraw/zinc/75/28/43/1040752843.db2.gz TYASGOHFMZNDGD-IHWFROFDSA-N 2 1 397.604 3.645 20 0 GHADMP CN1CC(C[NH2+][C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255069913 1040762304 /nfs/dbraw/zinc/76/23/04/1040762304.db2.gz QIMIQEIYURCNBU-JIMJEQGWSA-N 2 1 389.587 3.903 20 0 GHADMP C[NH+]1CC(CN[C@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255069913 1040762317 /nfs/dbraw/zinc/76/23/17/1040762317.db2.gz QIMIQEIYURCNBU-JIMJEQGWSA-N 2 1 389.587 3.903 20 0 GHADMP C[NH+]1CC(CN[C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255069913 1040762330 /nfs/dbraw/zinc/76/23/30/1040762330.db2.gz QIMIQEIYURCNBU-JIMJEQGWSA-N 2 1 389.587 3.903 20 0 GHADMP [NH3+][C@H]1CCN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255068799 1040763883 /nfs/dbraw/zinc/76/38/83/1040763883.db2.gz CXCLKLDSEHMBOW-ZYQDXHPFSA-N 2 1 375.560 3.784 20 0 GHADMP C[NH+]1CCN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1 ZINC001255074190 1040766233 /nfs/dbraw/zinc/76/62/33/1040766233.db2.gz KHWQZXGEAAAXNY-TWJOJJKGSA-N 2 1 389.587 3.999 20 0 GHADMP Cc1cnc(F)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001235333794 1040802906 /nfs/dbraw/zinc/80/29/06/1040802906.db2.gz ZXJPEBDXNVEAFH-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CCN([C@@H]4CC[N@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117887 1040804671 /nfs/dbraw/zinc/80/46/71/1040804671.db2.gz XDQSTFKFGRZGHK-JWQCQUIFSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117887 1040804690 /nfs/dbraw/zinc/80/46/90/1040804690.db2.gz XDQSTFKFGRZGHK-JWQCQUIFSA-N 2 1 375.560 3.859 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](N3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)C2)cc1 ZINC001255117887 1040804707 /nfs/dbraw/zinc/80/47/07/1040804707.db2.gz XDQSTFKFGRZGHK-JWQCQUIFSA-N 2 1 375.560 3.859 20 0 GHADMP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235339299 1040806799 /nfs/dbraw/zinc/80/67/99/1040806799.db2.gz FPFFBMHZFNZYSD-JTQLQIEISA-N 2 1 382.348 3.774 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](CC2CCN(c4ccccc4)CC2)C3)cc1 ZINC001235349514 1040822267 /nfs/dbraw/zinc/82/22/67/1040822267.db2.gz QIUZNKDSPLYSET-JWQCQUIFSA-N 2 1 375.560 3.982 20 0 GHADMP O=C(c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255132636 1040829589 /nfs/dbraw/zinc/82/95/89/1040829589.db2.gz VDHYEFKGJWBBSV-YCAMKHIRSA-N 2 1 389.543 3.686 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255137793 1040842563 /nfs/dbraw/zinc/84/25/63/1040842563.db2.gz XOCGHHHZSQVEEJ-BXXSPATCSA-N 2 1 383.580 3.762 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255137793 1040842573 /nfs/dbraw/zinc/84/25/73/1040842573.db2.gz XOCGHHHZSQVEEJ-BXXSPATCSA-N 2 1 383.580 3.762 20 0 GHADMP CCN(CC)C(=O)[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255137793 1040842589 /nfs/dbraw/zinc/84/25/89/1040842589.db2.gz XOCGHHHZSQVEEJ-BXXSPATCSA-N 2 1 383.580 3.762 20 0 GHADMP CCOc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)ccc1OC ZINC001235360603 1040846996 /nfs/dbraw/zinc/84/69/96/1040846996.db2.gz CIAKYDMXKAVIAS-URXFXBBRSA-N 2 1 380.532 3.847 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)ccc1OC ZINC001235360603 1040847007 /nfs/dbraw/zinc/84/70/07/1040847007.db2.gz CIAKYDMXKAVIAS-URXFXBBRSA-N 2 1 380.532 3.847 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001255142403 1040851593 /nfs/dbraw/zinc/85/15/93/1040851593.db2.gz QJTCVAADZLYLNC-LIICALTBSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001255142403 1040851602 /nfs/dbraw/zinc/85/16/02/1040851602.db2.gz QJTCVAADZLYLNC-LIICALTBSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1[C@H]2C[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001255142403 1040851622 /nfs/dbraw/zinc/85/16/22/1040851622.db2.gz QJTCVAADZLYLNC-LIICALTBSA-N 2 1 397.563 3.637 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)N2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142140 1040852472 /nfs/dbraw/zinc/85/24/72/1040852472.db2.gz PRKGLQVGGNKQEB-JCJWMPMWSA-N 2 1 397.563 3.876 20 0 GHADMP O=C(NC1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)C1CCCC1 ZINC001255142993 1040855351 /nfs/dbraw/zinc/85/53/51/1040855351.db2.gz IAMIGEADFHMUQT-UBRQYEGLSA-N 2 1 395.591 3.953 20 0 GHADMP FC(F)(F)c1nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1C[NH2+]CC2 ZINC001255145413 1040858729 /nfs/dbraw/zinc/85/87/29/1040858729.db2.gz BNOXQKRZFNGKAI-BJWYYQGGSA-N 2 1 390.453 3.916 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(C[N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1Cl ZINC001235366367 1040859522 /nfs/dbraw/zinc/85/95/22/1040859522.db2.gz DYAUCABGAYVZSN-GLKRBJQHSA-N 2 1 395.252 3.965 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1Cl ZINC001235366367 1040859538 /nfs/dbraw/zinc/85/95/38/1040859538.db2.gz DYAUCABGAYVZSN-GLKRBJQHSA-N 2 1 395.252 3.965 20 0 GHADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235366895 1040862357 /nfs/dbraw/zinc/86/23/57/1040862357.db2.gz FVIBCJPCSLNHSK-GMKZXUHWSA-N 2 1 378.516 3.527 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)c1 ZINC001255150081 1040867090 /nfs/dbraw/zinc/86/70/90/1040867090.db2.gz LNXYBTKUWBLMLK-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)c1 ZINC001255150081 1040867099 /nfs/dbraw/zinc/86/70/99/1040867099.db2.gz LNXYBTKUWBLMLK-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c1 ZINC001255150081 1040867108 /nfs/dbraw/zinc/86/71/08/1040867108.db2.gz LNXYBTKUWBLMLK-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c1 ZINC001255150081 1040867125 /nfs/dbraw/zinc/86/71/25/1040867125.db2.gz LNXYBTKUWBLMLK-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP CCN1CCc2ccc(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)cc21 ZINC001235369138 1040870965 /nfs/dbraw/zinc/87/09/65/1040870965.db2.gz QPNZWLTVKJSPTE-ZCYQVOJMSA-N 2 1 375.560 3.822 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150684 1040872447 /nfs/dbraw/zinc/87/24/47/1040872447.db2.gz OMIYOFNGFOLBQT-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150684 1040872481 /nfs/dbraw/zinc/87/24/81/1040872481.db2.gz OMIYOFNGFOLBQT-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150684 1040872498 /nfs/dbraw/zinc/87/24/98/1040872498.db2.gz OMIYOFNGFOLBQT-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150684 1040872514 /nfs/dbraw/zinc/87/25/14/1040872514.db2.gz OMIYOFNGFOLBQT-CBPXPLCBSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N(c2ccccn2)C2CC[NH2+]CC2)C3)cc1 ZINC001255151314 1040874526 /nfs/dbraw/zinc/87/45/26/1040874526.db2.gz WPRJBLSWEDDYBB-NUNAXRQHSA-N 2 1 376.548 3.836 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235379037 1040897328 /nfs/dbraw/zinc/89/73/28/1040897328.db2.gz FRRKYAZUIICJMF-ILBGXUMGSA-N 2 1 392.543 3.545 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235380136 1040900762 /nfs/dbraw/zinc/90/07/62/1040900762.db2.gz SMNAPPBBIAYXSN-VNZMSGEBSA-N 2 1 378.516 3.673 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212488 1040908093 /nfs/dbraw/zinc/90/80/93/1040908093.db2.gz KOSHQHUNTVTLNW-IACLWVNRSA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212488 1040908094 /nfs/dbraw/zinc/90/80/94/1040908094.db2.gz KOSHQHUNTVTLNW-IACLWVNRSA-N 2 1 397.563 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001255212488 1040908095 /nfs/dbraw/zinc/90/80/95/1040908095.db2.gz KOSHQHUNTVTLNW-IACLWVNRSA-N 2 1 397.563 3.592 20 0 GHADMP COc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235422620 1040925238 /nfs/dbraw/zinc/92/52/38/1040925238.db2.gz DGSABAYQGYEWDC-KGLIPLIRSA-N 2 1 385.321 3.808 20 0 GHADMP Brc1cnc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c[nH]c2c1 ZINC001235427817 1040929140 /nfs/dbraw/zinc/92/91/40/1040929140.db2.gz NOILRHCABBZQTR-UONOGXRCSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431131 1040931880 /nfs/dbraw/zinc/93/18/80/1040931880.db2.gz VBKAIGABGSZMKW-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Cn1cc(C(=O)c2ccc(F)cc2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431646 1040932495 /nfs/dbraw/zinc/93/24/95/1040932495.db2.gz VKPASEISRXGHER-OALUTQOASA-N 2 1 383.511 3.607 20 0 GHADMP Nc1cc(Cl)c(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235430777 1040932655 /nfs/dbraw/zinc/93/26/55/1040932655.db2.gz XVNBICFGKAZDFC-OLZOCXBDSA-N 2 1 386.765 3.896 20 0 GHADMP CC[C@H]1[N@@H+](CCC[NH2+]C2CCCCC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001235522046 1040974793 /nfs/dbraw/zinc/97/47/93/1040974793.db2.gz NXLCAGNGGIFQGK-GGAORHGYSA-N 2 1 375.601 3.944 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255387412 1040976373 /nfs/dbraw/zinc/97/63/73/1040976373.db2.gz RVYODXXCUGLXSG-PCCBWWKXSA-N 2 1 387.568 3.934 20 0 GHADMP CC[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389831 1040978761 /nfs/dbraw/zinc/97/87/61/1040978761.db2.gz UIFQZUNJYMEXCS-WOJBJXKFSA-N 2 1 375.557 3.934 20 0 GHADMP CC(C)(C)OC(=O)NCC(C)(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255395017 1040982601 /nfs/dbraw/zinc/98/26/01/1040982601.db2.gz XVOZXMCVPTVMAO-IBGZPJMESA-N 2 1 375.557 3.934 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)CC2)cc1 ZINC001255400418 1040986639 /nfs/dbraw/zinc/98/66/39/1040986639.db2.gz KEJRDTKQLNEJKN-CCDWMCETSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)CC2)cc1 ZINC001255400418 1040986641 /nfs/dbraw/zinc/98/66/41/1040986641.db2.gz KEJRDTKQLNEJKN-CCDWMCETSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)CC2)cc1 ZINC001255400418 1040986646 /nfs/dbraw/zinc/98/66/46/1040986646.db2.gz KEJRDTKQLNEJKN-CCDWMCETSA-N 2 1 390.575 3.785 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2CN(C[C@H]([NH3+])Cc3ccccc3)C[C@H]21 ZINC001235559673 1040987834 /nfs/dbraw/zinc/98/78/34/1040987834.db2.gz OPYMLMSPRLSPNF-OHUMZHCVSA-N 2 1 383.605 3.850 20 0 GHADMP O=C(NC1CCC1)[C@@H]1CC12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402503 1040988580 /nfs/dbraw/zinc/98/85/80/1040988580.db2.gz OIHSQCHKFAGZLR-GOTSBHOMSA-N 2 1 395.591 3.812 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255402585 1040989233 /nfs/dbraw/zinc/98/92/33/1040989233.db2.gz JUBCQUJUTQFFGR-VWNXMTODSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402585 1040989234 /nfs/dbraw/zinc/98/92/34/1040989234.db2.gz JUBCQUJUTQFFGR-VWNXMTODSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)C(=O)N1CCC[C@@]12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402585 1040989255 /nfs/dbraw/zinc/98/92/55/1040989255.db2.gz JUBCQUJUTQFFGR-VWNXMTODSA-N 2 1 383.580 3.764 20 0 GHADMP CN1c2ccccc2[C@]2(CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404989 1040991691 /nfs/dbraw/zinc/99/16/91/1040991691.db2.gz VFFOXGDZFBVILH-PXDATVDWSA-N 2 1 389.543 3.661 20 0 GHADMP CN1c2ccccc2[C@]2(CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404989 1040991692 /nfs/dbraw/zinc/99/16/92/1040991692.db2.gz VFFOXGDZFBVILH-PXDATVDWSA-N 2 1 389.543 3.661 20 0 GHADMP CN1c2ccccc2[C@]2(CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1=O ZINC001255404989 1040991698 /nfs/dbraw/zinc/99/16/98/1040991698.db2.gz VFFOXGDZFBVILH-PXDATVDWSA-N 2 1 389.543 3.661 20 0 GHADMP CCN(CC)C(=O)NC1CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255408712 1040994793 /nfs/dbraw/zinc/99/47/93/1040994793.db2.gz AZCVKFSMHIHNSE-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP FC(F)(F)c1nn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c2c1C[NH2+]CC2 ZINC001255408538 1040995090 /nfs/dbraw/zinc/99/50/90/1040995090.db2.gz NHEQTUSJODIMJL-INIZCTEOSA-N 2 1 378.442 3.775 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001255409952 1040998968 /nfs/dbraw/zinc/99/89/68/1040998968.db2.gz NWYAGWVDJMTOCG-TZRRMPRUSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001255409952 1040998969 /nfs/dbraw/zinc/99/89/69/1040998969.db2.gz NWYAGWVDJMTOCG-TZRRMPRUSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC001255409952 1040998972 /nfs/dbraw/zinc/99/89/72/1040998972.db2.gz NWYAGWVDJMTOCG-TZRRMPRUSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)c1ccc(C2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255410230 1040999093 /nfs/dbraw/zinc/99/90/93/1040999093.db2.gz RXPBOUXEOULPHQ-HSZRJFAPSA-N 2 1 378.516 3.927 20 0 GHADMP COC(=O)c1ccc(C2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)cc1 ZINC001255410230 1040999102 /nfs/dbraw/zinc/99/91/02/1040999102.db2.gz RXPBOUXEOULPHQ-HSZRJFAPSA-N 2 1 378.516 3.927 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255409951 1040999342 /nfs/dbraw/zinc/99/93/42/1040999342.db2.gz NWYAGWVDJMTOCG-RBZQAINGSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255409951 1040999346 /nfs/dbraw/zinc/99/93/46/1040999346.db2.gz NWYAGWVDJMTOCG-RBZQAINGSA-N 2 1 392.543 3.930 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC001255409951 1040999350 /nfs/dbraw/zinc/99/93/50/1040999350.db2.gz NWYAGWVDJMTOCG-RBZQAINGSA-N 2 1 392.543 3.930 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](c3nnc(C4CCN(c5cc[nH+]cc5)CC4)o3)C2)cc1 ZINC001255414677 1041008866 /nfs/dbraw/zinc/00/88/66/1041008866.db2.gz NIBQYJGFGMFKBR-FQEVSTJZSA-N 2 1 389.503 3.838 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255596695 1041156402 /nfs/dbraw/zinc/15/64/02/1041156402.db2.gz VLLSMWOLHKBPGI-UFYCRDLUSA-N 2 1 391.531 3.907 20 0 GHADMP Cc1cc(I)c(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1C ZINC001235717538 1041202299 /nfs/dbraw/zinc/20/22/99/1041202299.db2.gz IPUUUWVSAITGET-UHFFFAOYSA-N 2 1 386.321 3.730 20 0 GHADMP FC(F)(F)c1cnc2c(c1)C[N@@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001235768256 1041260933 /nfs/dbraw/zinc/26/09/33/1041260933.db2.gz DEZPQRPTLAPIQP-UHFFFAOYSA-N 2 1 386.421 3.717 20 0 GHADMP FC(F)(F)c1cnc2c(c1)C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001235768256 1041260953 /nfs/dbraw/zinc/26/09/53/1041260953.db2.gz DEZPQRPTLAPIQP-UHFFFAOYSA-N 2 1 386.421 3.717 20 0 GHADMP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(n3c4ccccc4nc3C(F)(F)F)CC2)CO1 ZINC001235782505 1041269217 /nfs/dbraw/zinc/26/92/17/1041269217.db2.gz XVPQPYFXZLUMJX-AWEZNQCLSA-N 2 1 396.457 3.807 20 0 GHADMP Cc1ccc(SC[C@H](C)[NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001255753521 1041273653 /nfs/dbraw/zinc/27/36/53/1041273653.db2.gz VCHLQMAVIDVWTP-KRWDZBQOSA-N 2 1 393.597 3.794 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccc(C)cc3)CC2)c1 ZINC001255796501 1041306307 /nfs/dbraw/zinc/30/63/07/1041306307.db2.gz XRJJKZMIEASLME-IBGZPJMESA-N 2 1 380.532 3.967 20 0 GHADMP Cc1nc(F)ccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001235807841 1041316428 /nfs/dbraw/zinc/31/64/28/1041316428.db2.gz UTUURBSPEZBJKV-SFHVURJKSA-N 2 1 389.540 3.846 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001255903097 1041384943 /nfs/dbraw/zinc/38/49/43/1041384943.db2.gz DHAXGRPFALXRIZ-SFHVURJKSA-N 2 1 393.959 3.989 20 0 GHADMP COCCC[N@@H+](Cc1ccc(OC(F)F)c(OCC2CC2)c1)C1CC[NH2+]CC1 ZINC001235936653 1041441122 /nfs/dbraw/zinc/44/11/22/1041441122.db2.gz DZKFYGPWNIMBDS-UHFFFAOYSA-N 2 1 398.494 3.667 20 0 GHADMP COCCC[N@H+](Cc1cc(F)cc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235940425 1041446615 /nfs/dbraw/zinc/44/66/15/1041446615.db2.gz RQOSCYLERYXATG-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COCCC[N@@H+](Cc1cc(F)cc(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235940425 1041446621 /nfs/dbraw/zinc/44/66/21/1041446621.db2.gz RQOSCYLERYXATG-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP CCOCC[N@@H+]([C@@H](C)CC[NH+](CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255971788 1041449243 /nfs/dbraw/zinc/44/92/43/1041449243.db2.gz KYDMKAPIAXJUFV-IBGZPJMESA-N 2 1 399.620 3.845 20 0 GHADMP COCC[N@H+](Cc1c[nH]c2cccc(OCc3ccccc3)c12)C1CC[NH2+]CC1 ZINC001235946660 1041450972 /nfs/dbraw/zinc/45/09/72/1041450972.db2.gz OPUHIANTYVKRNO-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP COCC[N@@H+](Cc1c[nH]c2cccc(OCc3ccccc3)c12)C1CC[NH2+]CC1 ZINC001235946660 1041450986 /nfs/dbraw/zinc/45/09/86/1041450986.db2.gz OPUHIANTYVKRNO-UHFFFAOYSA-N 2 1 393.531 3.947 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001235948286 1041454027 /nfs/dbraw/zinc/45/40/27/1041454027.db2.gz LJRZXEQSSBPLBK-JOCHJYFZSA-N 2 1 385.577 3.975 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCO[C@@](C)(c2ccc(C)cc2)C1 ZINC001235948286 1041454036 /nfs/dbraw/zinc/45/40/36/1041454036.db2.gz LJRZXEQSSBPLBK-JOCHJYFZSA-N 2 1 385.577 3.975 20 0 GHADMP Oc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1OC(F)(F)F ZINC001235977073 1041481549 /nfs/dbraw/zinc/48/15/49/1041481549.db2.gz HXUSYPRAHIPWKJ-UHFFFAOYSA-N 2 1 392.421 3.928 20 0 GHADMP O=C1CCC2(CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)N1Cc1cccc(F)c1 ZINC001256066423 1041504737 /nfs/dbraw/zinc/50/47/37/1041504737.db2.gz BTVPWVNREXKRQS-UHFFFAOYSA-N 2 1 399.554 3.846 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001236082562 1041526230 /nfs/dbraw/zinc/52/62/30/1041526230.db2.gz MUJYOCKDBHSFSA-HSZRJFAPSA-N 2 1 381.539 3.964 20 0 GHADMP FC(F)(F)Oc1ccc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC001236132904 1041560109 /nfs/dbraw/zinc/56/01/09/1041560109.db2.gz RRDMJAOXGNDKNC-UHFFFAOYSA-N 2 1 391.437 3.506 20 0 GHADMP COc1ccc(C2=NO[C@@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1F ZINC001462549030 1070353313 /nfs/dbraw/zinc/35/33/13/1070353313.db2.gz RDYFUYXESZGVHC-HXUWFJFHSA-N 2 1 397.494 3.582 20 0 GHADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001256152700 1041589900 /nfs/dbraw/zinc/58/99/00/1041589900.db2.gz XIUGTHHZLVJMQQ-UEVCKROQSA-N 2 1 385.596 3.555 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2c(F)ccc(I)c2F)CC1 ZINC001236215559 1041625555 /nfs/dbraw/zinc/62/55/55/1041625555.db2.gz PHPUQUDUCJWKGL-UHFFFAOYSA-N 2 1 394.247 3.532 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c2n1 ZINC001236215314 1041625733 /nfs/dbraw/zinc/62/57/33/1041625733.db2.gz GQELMPLYTLDOLR-HOTGVXAUSA-N 2 1 378.314 3.708 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)[C@H]3CCCC[C@@H]3[NH3+])c2n1 ZINC001236215314 1041625749 /nfs/dbraw/zinc/62/57/49/1041625749.db2.gz GQELMPLYTLDOLR-HOTGVXAUSA-N 2 1 378.314 3.708 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2ccc(-n3ccnc3)c(Br)c2)CC1 ZINC001236216039 1041626249 /nfs/dbraw/zinc/62/62/49/1041626249.db2.gz WAWSVGZKWWXJIU-UHFFFAOYSA-N 2 1 377.330 3.597 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236235903 1041635961 /nfs/dbraw/zinc/63/59/61/1041635961.db2.gz GHYJVXQJDYLODA-HJNYFJLDSA-N 2 1 399.579 3.571 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236235557 1041636136 /nfs/dbraw/zinc/63/61/36/1041636136.db2.gz DOCSFPJUHPMHFS-OLMNPRSZSA-N 2 1 376.566 3.869 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236285843 1041660009 /nfs/dbraw/zinc/66/00/09/1041660009.db2.gz IFVULIINAJQKPV-UHFFFAOYSA-N 3 1 381.564 3.771 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001236285843 1041660022 /nfs/dbraw/zinc/66/00/22/1041660022.db2.gz IFVULIINAJQKPV-UHFFFAOYSA-N 3 1 381.564 3.771 20 0 GHADMP [NH3+]CCNC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001236303847 1041666520 /nfs/dbraw/zinc/66/65/20/1041666520.db2.gz SJMXYMJRZSXBSJ-IBGZPJMESA-N 2 1 391.437 3.731 20 0 GHADMP [NH3+]C12CC(CC[N@@H+](Cc3ccccc3)[C@@H]3CC(=O)N(Cc4ccccc4)C3)(C1)C2 ZINC001236314287 1041667634 /nfs/dbraw/zinc/66/76/34/1041667634.db2.gz KABFVJWNLOIEPD-PBGLPUTKSA-N 2 1 389.543 3.561 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)CC1 ZINC001236366534 1041684138 /nfs/dbraw/zinc/68/41/38/1041684138.db2.gz DLNAMUUVNBAKDM-IYARVYRRSA-N 2 1 376.516 3.749 20 0 GHADMP COc1cc(F)c(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1OC ZINC001236383270 1041691520 /nfs/dbraw/zinc/69/15/20/1041691520.db2.gz VTAXAGLPRAQQEC-UHFFFAOYSA-N 2 1 390.474 3.984 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(Cl)n1 ZINC001236385171 1041693500 /nfs/dbraw/zinc/69/35/00/1041693500.db2.gz PXGSAGKBCGRBRW-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(Cl)n1 ZINC001236385171 1041693504 /nfs/dbraw/zinc/69/35/04/1041693504.db2.gz PXGSAGKBCGRBRW-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP COC(=O)c1cccc2c(C[N@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)c[nH]c21 ZINC001236407198 1041703451 /nfs/dbraw/zinc/70/34/51/1041703451.db2.gz PLBHPGQOPSKSAJ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc2c(C[N@@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)c[nH]c21 ZINC001236407198 1041703456 /nfs/dbraw/zinc/70/34/56/1041703456.db2.gz PLBHPGQOPSKSAJ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COc1ccc(C[NH+]2CCN(C)CC2)cc1-c1ccc(C[NH2+]CC(C)C)cc1 ZINC001236447008 1041715891 /nfs/dbraw/zinc/71/58/91/1041715891.db2.gz HMBDFSCUGYBNMZ-UHFFFAOYSA-N 2 1 381.564 3.855 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OC(F)F)c(OCC2CC2)c1)C1CC[NH2+]CC1 ZINC001236461562 1041723695 /nfs/dbraw/zinc/72/36/95/1041723695.db2.gz MARKUGLUTVTGBO-UHFFFAOYSA-N 2 1 398.494 3.667 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OC(F)F)c(OCC2CC2)c1)C1CC[NH2+]CC1 ZINC001236461562 1041723700 /nfs/dbraw/zinc/72/37/00/1041723700.db2.gz MARKUGLUTVTGBO-UHFFFAOYSA-N 2 1 398.494 3.667 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2c[nH]c3cc(F)ccc23)C2CC[NH2+]CC2)c1 ZINC001236464832 1041727473 /nfs/dbraw/zinc/72/74/73/1041727473.db2.gz KWPWGMJQOZDBQD-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2c[nH]c3cc(F)ccc23)C2CC[NH2+]CC2)c1 ZINC001236464832 1041727481 /nfs/dbraw/zinc/72/74/81/1041727481.db2.gz KWPWGMJQOZDBQD-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP CCOC1CCC([N@@H+](Cc2cccc(C(=O)OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256434051 1041730708 /nfs/dbraw/zinc/73/07/08/1041730708.db2.gz FAGFRPVCRVDUAK-IJDVVPKISA-N 2 1 388.552 3.893 20 0 GHADMP O=C1N[C@H](c2ccc(C3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2)CC12C[NH2+]C2 ZINC001236472445 1041731089 /nfs/dbraw/zinc/73/10/89/1041731089.db2.gz YFONPARIUDJESF-SGNDLWITSA-N 2 1 399.538 3.658 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236482711 1041735081 /nfs/dbraw/zinc/73/50/81/1041735081.db2.gz KVUXYTUJDCJZMN-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236482711 1041735088 /nfs/dbraw/zinc/73/50/88/1041735088.db2.gz KVUXYTUJDCJZMN-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN(Cc3ccccn3)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001236488638 1041736599 /nfs/dbraw/zinc/73/65/99/1041736599.db2.gz ZDYPEXUMJBRZMM-UPVQGACJSA-N 2 1 378.564 3.548 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001236499374 1041741409 /nfs/dbraw/zinc/74/14/09/1041741409.db2.gz NQHXRUJEPFBVEY-SAABIXHNSA-N 2 1 394.506 3.888 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](Cc1cccc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001236521676 1041752559 /nfs/dbraw/zinc/75/25/59/1041752559.db2.gz OIJVNNZMPOUIRU-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](Cc1cccc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001236521676 1041752565 /nfs/dbraw/zinc/75/25/65/1041752565.db2.gz OIJVNNZMPOUIRU-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236534007 1041755705 /nfs/dbraw/zinc/75/57/05/1041755705.db2.gz MLOVGXZYVZANOV-DQIJTPOISA-N 2 1 376.516 3.877 20 0 GHADMP COc1cc(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236540831 1041756539 /nfs/dbraw/zinc/75/65/39/1041756539.db2.gz LGEHDYVIWYOIGE-WKILWMFISA-N 2 1 382.346 3.725 20 0 GHADMP COc1cc(Br)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236551730 1041759898 /nfs/dbraw/zinc/75/98/98/1041759898.db2.gz MABQCLUGLSXPQK-WKILWMFISA-N 2 1 397.357 3.948 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557341 1041761556 /nfs/dbraw/zinc/76/15/56/1041761556.db2.gz LMPAZBDWTRTBBZ-RQNOJGIXSA-N 3 1 392.591 3.677 20 0 GHADMP COc1cc(Br)cnc1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236571558 1041765648 /nfs/dbraw/zinc/76/56/48/1041765648.db2.gz JBZNKFCFEJTBSH-KOMQPUFPSA-N 2 1 382.346 3.867 20 0 GHADMP Cc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc(C)c1I ZINC001236606946 1041778149 /nfs/dbraw/zinc/77/81/49/1041778149.db2.gz YQQNGGANDBUWCL-HNNXBMFYSA-N 2 1 398.332 3.872 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462563806 1070368795 /nfs/dbraw/zinc/36/87/95/1070368795.db2.gz IYRICBWXXINVAS-NRSPTQNISA-N 2 1 385.552 3.954 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001462563806 1070368815 /nfs/dbraw/zinc/36/88/15/1070368815.db2.gz IYRICBWXXINVAS-NRSPTQNISA-N 2 1 385.552 3.954 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CC[C@H](N4CCC([NH3+])CC4)C3)cc2)c1 ZINC001236624402 1041789875 /nfs/dbraw/zinc/78/98/75/1041789875.db2.gz ZVBFMJLFMWYRIA-DEOSSOPVSA-N 2 1 378.564 3.760 20 0 GHADMP CCOC(=O)c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001236656193 1041807208 /nfs/dbraw/zinc/80/72/08/1041807208.db2.gz MPRQBYOOZCLTIO-NHCUHLMSSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001236656193 1041807212 /nfs/dbraw/zinc/80/72/12/1041807212.db2.gz MPRQBYOOZCLTIO-NHCUHLMSSA-N 2 1 393.531 3.602 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001236656193 1041807216 /nfs/dbraw/zinc/80/72/16/1041807216.db2.gz MPRQBYOOZCLTIO-NHCUHLMSSA-N 2 1 393.531 3.602 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccc3sccc32)CC1 ZINC001236678791 1041823613 /nfs/dbraw/zinc/82/36/13/1041823613.db2.gz BLCOSTSQVZCDGM-NHCUHLMSSA-N 2 1 397.588 3.808 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](Cc1cccc3sccc31)CCC2 ZINC001236679287 1041825033 /nfs/dbraw/zinc/82/50/33/1041825033.db2.gz GMDFNPKECYJGEJ-UHFFFAOYSA-N 2 1 396.560 3.706 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](Cc1cccc3sccc31)CCC2 ZINC001236679287 1041825045 /nfs/dbraw/zinc/82/50/45/1041825045.db2.gz GMDFNPKECYJGEJ-UHFFFAOYSA-N 2 1 396.560 3.706 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cnc2c(C)cccn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700609 1041841355 /nfs/dbraw/zinc/84/13/55/1041841355.db2.gz MJDHBNAGDMSHSG-MXVIHJGJSA-N 2 1 378.520 3.923 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(-c4ccc(OC(F)(F)F)cc4)n3)C[C@@H]12 ZINC001236832630 1041921290 /nfs/dbraw/zinc/92/12/90/1041921290.db2.gz WGMTUEUAFNMKAL-ZTFGCOKTSA-N 2 1 377.410 3.816 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001236847294 1041927024 /nfs/dbraw/zinc/92/70/24/1041927024.db2.gz IWFTYSBUSOTPML-NRFANRHFSA-N 2 1 375.560 3.783 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+](C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC001236847294 1041927026 /nfs/dbraw/zinc/92/70/26/1041927026.db2.gz IWFTYSBUSOTPML-NRFANRHFSA-N 2 1 375.560 3.783 20 0 GHADMP Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001236854599 1041929813 /nfs/dbraw/zinc/92/98/13/1041929813.db2.gz WCYPIWXUCVRLFK-TZIWHRDSSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1Cl ZINC001236854599 1041929814 /nfs/dbraw/zinc/92/98/14/1041929814.db2.gz WCYPIWXUCVRLFK-TZIWHRDSSA-N 2 1 385.939 3.766 20 0 GHADMP Fc1ccc(N2CCC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)CC2)cc1 ZINC001236860526 1041931903 /nfs/dbraw/zinc/93/19/03/1041931903.db2.gz QPNZWKZZHRZESO-UHFFFAOYSA-N 2 1 378.495 3.596 20 0 GHADMP c1ncn(-c2cccc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c2)n1 ZINC001236886448 1041940409 /nfs/dbraw/zinc/94/04/09/1041940409.db2.gz DZQWUWKMGBDLGJ-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2)n1 ZINC001236886448 1041940410 /nfs/dbraw/zinc/94/04/10/1041940410.db2.gz DZQWUWKMGBDLGJ-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP c1ncn(-c2cccc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c2)n1 ZINC001236886448 1041940412 /nfs/dbraw/zinc/94/04/12/1041940412.db2.gz DZQWUWKMGBDLGJ-DHIUTWEWSA-N 2 1 387.531 3.611 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+]3CCn4cccc4[C@H]3c3ccccc3)c2)CC1 ZINC001236886615 1041940713 /nfs/dbraw/zinc/94/07/13/1041940713.db2.gz GABKYIPEHOYJBB-RUZDIDTESA-N 2 1 386.543 3.845 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCn4cccc4[C@H]3c3ccccc3)c2)CC1 ZINC001236886615 1041940714 /nfs/dbraw/zinc/94/07/14/1041940714.db2.gz GABKYIPEHOYJBB-RUZDIDTESA-N 2 1 386.543 3.845 20 0 GHADMP CN(Cc1cccc(F)c1)C1CC[NH+](Cc2cccc(-n3cncn3)c2)CC1 ZINC001236889319 1041941431 /nfs/dbraw/zinc/94/14/31/1041941431.db2.gz KJRQSBBHXONIBG-UHFFFAOYSA-N 2 1 379.483 3.503 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)c2)CC1 ZINC001236890425 1041941882 /nfs/dbraw/zinc/94/18/82/1041941882.db2.gz OVQRXFMIVFXUMR-XMMPIXPASA-N 2 1 379.548 3.620 20 0 GHADMP Fc1ccc(N2CCC[N@@H+](Cc3ccc(-n4ccnc4)c(Cl)c3)CC2)nc1 ZINC001236902907 1041947828 /nfs/dbraw/zinc/94/78/28/1041947828.db2.gz JTVDDPGGTYLEEX-UHFFFAOYSA-N 2 1 385.874 3.772 20 0 GHADMP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236964168 1041971139 /nfs/dbraw/zinc/97/11/39/1041971139.db2.gz SKYDJFRSVJXOER-OAQYLSRUSA-N 2 1 383.511 3.923 20 0 GHADMP COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236964168 1041971140 /nfs/dbraw/zinc/97/11/40/1041971140.db2.gz SKYDJFRSVJXOER-OAQYLSRUSA-N 2 1 383.511 3.923 20 0 GHADMP COc1cccc([C@H]2CCC[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236965531 1041972220 /nfs/dbraw/zinc/97/22/20/1041972220.db2.gz ALKVRIQZKOONNJ-NRFANRHFSA-N 2 1 397.538 3.966 20 0 GHADMP COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236965531 1041972222 /nfs/dbraw/zinc/97/22/22/1041972222.db2.gz ALKVRIQZKOONNJ-NRFANRHFSA-N 2 1 397.538 3.966 20 0 GHADMP COc1cccc(C2CC[NH+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)CC2)c1 ZINC001236965760 1041972295 /nfs/dbraw/zinc/97/22/95/1041972295.db2.gz DPZGVPPAYISREL-UHFFFAOYSA-N 2 1 397.538 3.966 20 0 GHADMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(NC(=O)OC(C)(C)C)c(F)c3)C[C@H]2C1 ZINC001237043280 1042002633 /nfs/dbraw/zinc/00/26/33/1042002633.db2.gz DIQHYKJPRSWMNA-CALCHBBNSA-N 2 1 377.504 3.946 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccccc1OCCO)CC2 ZINC001237196004 1042088412 /nfs/dbraw/zinc/08/84/12/1042088412.db2.gz ZBGFDHXYHQATBW-JOCHJYFZSA-N 2 1 384.520 3.527 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001237198499 1042089198 /nfs/dbraw/zinc/08/91/98/1042089198.db2.gz IUSKKMSMCYJUKE-QGZVFWFLSA-N 2 1 381.545 3.697 20 0 GHADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3sc4ccccc4c3c2)C1 ZINC001237198499 1042089205 /nfs/dbraw/zinc/08/92/05/1042089205.db2.gz IUSKKMSMCYJUKE-QGZVFWFLSA-N 2 1 381.545 3.697 20 0 GHADMP Fc1ccc(C[C@@H]2CCC[N@H+]2Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)cc1 ZINC001237249738 1042107229 /nfs/dbraw/zinc/10/72/29/1042107229.db2.gz RUJWCBGMAUDFPR-NRFANRHFSA-N 2 1 393.510 3.543 20 0 GHADMP COC(=O)c1cc2cc(CN3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)ccc2[nH]1 ZINC001237308674 1042137892 /nfs/dbraw/zinc/13/78/92/1042137892.db2.gz ZRPZEHHUHUVRPQ-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cc2cc(CN3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)ccc2[nH]1 ZINC001237308674 1042137895 /nfs/dbraw/zinc/13/78/95/1042137895.db2.gz ZRPZEHHUHUVRPQ-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cc2cc(C[N@@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)ccc2[nH]1 ZINC001237308674 1042137897 /nfs/dbraw/zinc/13/78/97/1042137897.db2.gz ZRPZEHHUHUVRPQ-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cc2cc(C[N@H+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@@H]4C3)ccc2[nH]1 ZINC001237308674 1042137900 /nfs/dbraw/zinc/13/79/00/1042137900.db2.gz ZRPZEHHUHUVRPQ-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3C[C@@H]4C[N@H+](Cc5cccs5)C[C@@H]4C3)ccc2[nH]1 ZINC001237308674 1042137902 /nfs/dbraw/zinc/13/79/02/1042137902.db2.gz ZRPZEHHUHUVRPQ-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3C[C@@H]4C[N@@H+](Cc5cccs5)C[C@@H]4C3)ccc2[nH]1 ZINC001237308674 1042137907 /nfs/dbraw/zinc/13/79/07/1042137907.db2.gz ZRPZEHHUHUVRPQ-HDICACEKSA-N 2 1 395.528 3.580 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1cc(Br)cc(Br)c1)CC2 ZINC001237356100 1042166698 /nfs/dbraw/zinc/16/66/98/1042166698.db2.gz GRSPGEWCMWCZAF-CQSZACIVSA-N 2 1 388.147 3.915 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001278087848 1042168363 /nfs/dbraw/zinc/16/83/63/1042168363.db2.gz STDOSUOSLVSMHJ-XWQURZDVSA-N 2 1 389.559 3.709 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001278087848 1042168366 /nfs/dbraw/zinc/16/83/66/1042168366.db2.gz STDOSUOSLVSMHJ-XWQURZDVSA-N 2 1 389.559 3.709 20 0 GHADMP C[C@@H]1[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001278087848 1042168368 /nfs/dbraw/zinc/16/83/68/1042168368.db2.gz STDOSUOSLVSMHJ-XWQURZDVSA-N 2 1 389.559 3.709 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)s1 ZINC001237392615 1042186503 /nfs/dbraw/zinc/18/65/03/1042186503.db2.gz OVBLGBQJUNXNGH-MAUKXSAKSA-N 2 1 377.941 3.949 20 0 GHADMP Clc1ncc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)s1 ZINC001237392615 1042186506 /nfs/dbraw/zinc/18/65/06/1042186506.db2.gz OVBLGBQJUNXNGH-MAUKXSAKSA-N 2 1 377.941 3.949 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](CC(C)(C)Sc2ccc(Cl)cc2)CCC12C[NH2+]C2 ZINC001237413855 1042197940 /nfs/dbraw/zinc/19/79/40/1042197940.db2.gz ZHUZTPRMHWFYLY-QGZVFWFLSA-N 2 1 396.984 3.685 20 0 GHADMP FC(F)Oc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccn1 ZINC001237613600 1042281943 /nfs/dbraw/zinc/28/19/43/1042281943.db2.gz GPOCGAUUZBDURE-UHFFFAOYSA-N 2 1 377.435 3.764 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc(C3CC3)s1)CC2 ZINC001237787237 1042368946 /nfs/dbraw/zinc/36/89/46/1042368946.db2.gz TUHLEYIZJPLFSO-IBGZPJMESA-N 2 1 398.576 3.671 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)cc21 ZINC001237882697 1042408788 /nfs/dbraw/zinc/40/87/88/1042408788.db2.gz SWNFRUROVSEMNT-XUZZJYLKSA-N 2 1 382.548 3.848 20 0 GHADMP Fc1cc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cn1 ZINC001238017836 1042461129 /nfs/dbraw/zinc/46/11/29/1042461129.db2.gz CUNMGRVLESTFDA-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238107081 1042494346 /nfs/dbraw/zinc/49/43/46/1042494346.db2.gz NJLPKEBOJMLTGX-QFIPXVFZSA-N 2 1 384.524 3.947 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238107081 1042494349 /nfs/dbraw/zinc/49/43/49/1042494349.db2.gz NJLPKEBOJMLTGX-QFIPXVFZSA-N 2 1 384.524 3.947 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c1C ZINC001238172663 1042508002 /nfs/dbraw/zinc/50/80/02/1042508002.db2.gz MPGXUKXCRYLAEL-UHFFFAOYSA-N 2 1 376.504 3.886 20 0 GHADMP CSc1cc(C)cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001238682377 1042682687 /nfs/dbraw/zinc/68/26/87/1042682687.db2.gz JAKVAACYKFFTAA-FYYLOGMGSA-N 2 1 397.588 3.835 20 0 GHADMP CSc1cc(C)cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001238682377 1042682688 /nfs/dbraw/zinc/68/26/88/1042682688.db2.gz JAKVAACYKFFTAA-FYYLOGMGSA-N 2 1 397.588 3.835 20 0 GHADMP CSc1cc(C)cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001238682377 1042682689 /nfs/dbraw/zinc/68/26/89/1042682689.db2.gz JAKVAACYKFFTAA-FYYLOGMGSA-N 2 1 397.588 3.835 20 0 GHADMP CCC(CC)COC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001239318414 1042808082 /nfs/dbraw/zinc/80/80/82/1042808082.db2.gz OEKRCHKYVVXNPU-NRFANRHFSA-N 2 1 387.568 3.651 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001291540784 1043332608 /nfs/dbraw/zinc/33/26/08/1043332608.db2.gz VVRHGZIOMFXKKA-WOJBJXKFSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC1([NH+](C)C)CCC1 ZINC001291563297 1043345965 /nfs/dbraw/zinc/34/59/65/1043345965.db2.gz SMESXUADRDUKMN-GOSISDBHSA-N 2 1 390.620 3.587 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001256520718 1043445366 /nfs/dbraw/zinc/44/53/66/1043445366.db2.gz UEECGPUZWJNDAJ-ICSRJNTNSA-N 2 1 375.557 3.934 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC001256520718 1043445371 /nfs/dbraw/zinc/44/53/71/1043445371.db2.gz UEECGPUZWJNDAJ-ICSRJNTNSA-N 2 1 375.557 3.934 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256525436 1043452947 /nfs/dbraw/zinc/45/29/47/1043452947.db2.gz ZJNDXJXUSIDRPH-AYWYSENESA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256525436 1043452962 /nfs/dbraw/zinc/45/29/62/1043452962.db2.gz ZJNDXJXUSIDRPH-AYWYSENESA-N 2 1 387.568 3.932 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525461 1043453397 /nfs/dbraw/zinc/45/33/97/1043453397.db2.gz ZVINCHNBCIZHQC-QIJZPMMNSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525461 1043453411 /nfs/dbraw/zinc/45/34/11/1043453411.db2.gz ZVINCHNBCIZHQC-QIJZPMMNSA-N 2 1 387.568 3.885 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(O)cc1 ZINC001256528569 1043459229 /nfs/dbraw/zinc/45/92/29/1043459229.db2.gz HNGJZPFDSJOTAW-XJABCFGWSA-N 2 1 382.504 3.639 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(O)cc1 ZINC001256528569 1043459250 /nfs/dbraw/zinc/45/92/50/1043459250.db2.gz HNGJZPFDSJOTAW-XJABCFGWSA-N 2 1 382.504 3.639 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541252 1043490186 /nfs/dbraw/zinc/49/01/86/1043490186.db2.gz IPMJDZLHJIXPQW-CTNGQTDRSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541252 1043490196 /nfs/dbraw/zinc/49/01/96/1043490196.db2.gz IPMJDZLHJIXPQW-CTNGQTDRSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541252 1043490210 /nfs/dbraw/zinc/49/02/10/1043490210.db2.gz IPMJDZLHJIXPQW-CTNGQTDRSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)N(C)Cc1nn([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541252 1043490230 /nfs/dbraw/zinc/49/02/30/1043490230.db2.gz IPMJDZLHJIXPQW-CTNGQTDRSA-N 2 1 395.595 3.595 20 0 GHADMP CC(C)N(C)Cc1nn([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541252 1043490252 /nfs/dbraw/zinc/49/02/52/1043490252.db2.gz IPMJDZLHJIXPQW-CTNGQTDRSA-N 2 1 395.595 3.595 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001256545647 1043503624 /nfs/dbraw/zinc/50/36/24/1043503624.db2.gz UEHIASBRRLGWAK-WAABAYLZSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001256545647 1043503639 /nfs/dbraw/zinc/50/36/39/1043503639.db2.gz UEHIASBRRLGWAK-WAABAYLZSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC001256545647 1043503656 /nfs/dbraw/zinc/50/36/56/1043503656.db2.gz UEHIASBRRLGWAK-WAABAYLZSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC001256545647 1043503666 /nfs/dbraw/zinc/50/36/66/1043503666.db2.gz UEHIASBRRLGWAK-WAABAYLZSA-N 2 1 390.575 3.783 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC[N@@H+]1Cc1ccccc1 ZINC001256546654 1043506916 /nfs/dbraw/zinc/50/69/16/1043506916.db2.gz NGBCHQBDOYTYIR-FZOAFFARSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC[N@H+]1Cc1ccccc1 ZINC001256546654 1043506929 /nfs/dbraw/zinc/50/69/29/1043506929.db2.gz NGBCHQBDOYTYIR-FZOAFFARSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC[NH+]1Cc1ccccc1 ZINC001256546654 1043506942 /nfs/dbraw/zinc/50/69/42/1043506942.db2.gz NGBCHQBDOYTYIR-FZOAFFARSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC[NH+]1Cc1ccccc1 ZINC001256546654 1043506949 /nfs/dbraw/zinc/50/69/49/1043506949.db2.gz NGBCHQBDOYTYIR-FZOAFFARSA-N 2 1 389.543 3.660 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256546469 1043507794 /nfs/dbraw/zinc/50/77/94/1043507794.db2.gz LQQGOYSACFBATK-IRLDBZIGSA-N 2 1 398.595 3.652 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCN3C(=O)N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256546469 1043507812 /nfs/dbraw/zinc/50/78/12/1043507812.db2.gz LQQGOYSACFBATK-IRLDBZIGSA-N 2 1 398.595 3.652 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256550487 1043513316 /nfs/dbraw/zinc/51/33/16/1043513316.db2.gz MRPCLQLEHCUJJB-MZYLBHOOSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001256550487 1043513332 /nfs/dbraw/zinc/51/33/32/1043513332.db2.gz MRPCLQLEHCUJJB-MZYLBHOOSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550487 1043513340 /nfs/dbraw/zinc/51/33/40/1043513340.db2.gz MRPCLQLEHCUJJB-MZYLBHOOSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001256550487 1043513352 /nfs/dbraw/zinc/51/33/52/1043513352.db2.gz MRPCLQLEHCUJJB-MZYLBHOOSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001256574029 1043548131 /nfs/dbraw/zinc/54/81/31/1043548131.db2.gz UNCKOFLDDDVROP-NFBKMPQASA-N 2 1 387.568 3.594 20 0 GHADMP CC(C)(C)[NH+]1CCC([N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CC1 ZINC001256574029 1043548142 /nfs/dbraw/zinc/54/81/42/1043548142.db2.gz UNCKOFLDDDVROP-NFBKMPQASA-N 2 1 387.568 3.594 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(Cc5ccncc5)CC4)[C@H]3C2)cc1 ZINC001256578649 1043550830 /nfs/dbraw/zinc/55/08/30/1043550830.db2.gz VHHVZDNEMZROPV-ZKMPZPQNSA-N 2 1 390.575 3.546 20 0 GHADMP CCOC(=O)CC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC001256598195 1043562855 /nfs/dbraw/zinc/56/28/55/1043562855.db2.gz OHIXQESXJUYBEC-UHFFFAOYSA-N 2 1 392.543 3.731 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256600791 1043563903 /nfs/dbraw/zinc/56/39/03/1043563903.db2.gz GFBNDRUTNUHPGP-PWRODBHTSA-N 2 1 385.552 3.781 20 0 GHADMP c1ccc(C[NH+]2CCC([NH2+]CC3(Cc4ccccn4)CCOCC3)CC2)cc1 ZINC001256600728 1043564318 /nfs/dbraw/zinc/56/43/18/1043564318.db2.gz KCMKEISTNWUTFG-UHFFFAOYSA-N 2 1 379.548 3.675 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256601071 1043564597 /nfs/dbraw/zinc/56/45/97/1043564597.db2.gz OXIXXDCBRBCVIF-QHCPKHFHSA-N 2 1 379.548 3.524 20 0 GHADMP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256602529 1043565371 /nfs/dbraw/zinc/56/53/71/1043565371.db2.gz ZNLZOIXEMBISCW-UHFFFAOYSA-N 2 1 381.539 3.826 20 0 GHADMP C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001292057130 1043578219 /nfs/dbraw/zinc/57/82/19/1043578219.db2.gz IZLNNLSSPBJUDB-NRFANRHFSA-N 2 1 393.575 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894801 1043727278 /nfs/dbraw/zinc/72/72/78/1043727278.db2.gz MUSLGRPNEPVTSS-YOUFYPILSA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894801 1043727288 /nfs/dbraw/zinc/72/72/88/1043727288.db2.gz MUSLGRPNEPVTSS-YOUFYPILSA-N 2 1 391.600 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3CCC[N@@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894534 1043727923 /nfs/dbraw/zinc/72/79/23/1043727923.db2.gz LBSMYHQVSMNVLC-IZBJGVDFSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3CCC[N@H+](C4CCCC4)C3)CC[C@@H]2C1 ZINC001256894534 1043727935 /nfs/dbraw/zinc/72/79/35/1043727935.db2.gz LBSMYHQVSMNVLC-IZBJGVDFSA-N 2 1 377.573 3.629 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)[C@H](F)C1 ZINC001256900559 1043730191 /nfs/dbraw/zinc/73/01/91/1043730191.db2.gz PBTMSEVUZFCPAU-ZIFCJYIRSA-N 2 1 383.552 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)[C@H](F)C1 ZINC001256900559 1043730201 /nfs/dbraw/zinc/73/02/01/1043730201.db2.gz PBTMSEVUZFCPAU-ZIFCJYIRSA-N 2 1 383.552 3.578 20 0 GHADMP c1ccc2nc(N3CCC([NH2+][C@@H]4CCC[N@@H+](C5CCCC5)C4)CC3)cnc2c1 ZINC001256905157 1043732575 /nfs/dbraw/zinc/73/25/75/1043732575.db2.gz QIHMYPBXFNJHAU-LJQANCHMSA-N 2 1 379.552 3.595 20 0 GHADMP c1ccc2nc(N3CCC([NH2+][C@@H]4CCC[N@H+](C5CCCC5)C4)CC3)cnc2c1 ZINC001256905157 1043732587 /nfs/dbraw/zinc/73/25/87/1043732587.db2.gz QIHMYPBXFNJHAU-LJQANCHMSA-N 2 1 379.552 3.595 20 0 GHADMP c1ccc2c(c1)ncnc2N(C1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256924094 1043753610 /nfs/dbraw/zinc/75/36/10/1043753610.db2.gz NYKVAWXYUKDEKW-FQEVSTJZSA-N 2 1 379.552 3.595 20 0 GHADMP O=C1CC[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCN1 ZINC001256928423 1043755698 /nfs/dbraw/zinc/75/56/98/1043755698.db2.gz ZLLVGVVHLMWXEO-UHFFFAOYSA-N 2 1 391.559 3.822 20 0 GHADMP COC(=O)CC1CCC([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001256986361 1043786922 /nfs/dbraw/zinc/78/69/22/1043786922.db2.gz MASHNLZTJHEIOK-UABGHKMXSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001256986361 1043786932 /nfs/dbraw/zinc/78/69/32/1043786932.db2.gz MASHNLZTJHEIOK-UABGHKMXSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001256986361 1043786939 /nfs/dbraw/zinc/78/69/39/1043786939.db2.gz MASHNLZTJHEIOK-UABGHKMXSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001256986361 1043786952 /nfs/dbraw/zinc/78/69/52/1043786952.db2.gz MASHNLZTJHEIOK-UABGHKMXSA-N 2 1 399.579 3.736 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC001292830250 1043902831 /nfs/dbraw/zinc/90/28/31/1043902831.db2.gz HDAGFSAZTJMGTQ-BWAGFHJFSA-N 2 1 379.548 3.577 20 0 GHADMP CC(C)N1CCC([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001257217473 1043940141 /nfs/dbraw/zinc/94/01/41/1043940141.db2.gz RWZSOWPHRPCSHE-FQEVSTJZSA-N 2 1 396.501 3.631 20 0 GHADMP CC(C)N1CCC([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001257217473 1043940144 /nfs/dbraw/zinc/94/01/44/1043940144.db2.gz RWZSOWPHRPCSHE-FQEVSTJZSA-N 2 1 396.501 3.631 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001257217473 1043940146 /nfs/dbraw/zinc/94/01/46/1043940146.db2.gz RWZSOWPHRPCSHE-FQEVSTJZSA-N 2 1 396.501 3.631 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001257217473 1043940147 /nfs/dbraw/zinc/94/01/47/1043940147.db2.gz RWZSOWPHRPCSHE-FQEVSTJZSA-N 2 1 396.501 3.631 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001257475352 1044008420 /nfs/dbraw/zinc/00/84/20/1044008420.db2.gz CLNGVISMKMMVCA-SSGKUCQKSA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001257475352 1044008427 /nfs/dbraw/zinc/00/84/27/1044008427.db2.gz CLNGVISMKMMVCA-SSGKUCQKSA-N 2 1 379.633 3.852 20 0 GHADMP CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001257475352 1044008435 /nfs/dbraw/zinc/00/84/35/1044008435.db2.gz CLNGVISMKMMVCA-SSGKUCQKSA-N 2 1 379.633 3.852 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001293084139 1044016012 /nfs/dbraw/zinc/01/60/12/1044016012.db2.gz OIIFDMJQOYISPS-NRFANRHFSA-N 2 1 391.987 3.789 20 0 GHADMP C[N@@H+]1CC[C@H]2CN(Cc3cc(Br)c(Br)o3)C[C@H]2CC1 ZINC001279024794 1044060161 /nfs/dbraw/zinc/06/01/61/1044060161.db2.gz WTIAVKHMXRVUCP-PHIMTYICSA-N 2 1 392.135 3.578 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](Cc3cc(Br)c(Br)o3)C[C@H]2CC1 ZINC001279024794 1044060175 /nfs/dbraw/zinc/06/01/75/1044060175.db2.gz WTIAVKHMXRVUCP-PHIMTYICSA-N 2 1 392.135 3.578 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Br)c(Br)o3)C[C@H]2CC1 ZINC001279024794 1044060188 /nfs/dbraw/zinc/06/01/88/1044060188.db2.gz WTIAVKHMXRVUCP-PHIMTYICSA-N 2 1 392.135 3.578 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Br)c(Br)o3)C[C@H]2CC1 ZINC001279024794 1044060206 /nfs/dbraw/zinc/06/02/06/1044060206.db2.gz WTIAVKHMXRVUCP-PHIMTYICSA-N 2 1 392.135 3.578 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Br)c(Br)o3)C[C@H]2CC1 ZINC001279024794 1044060227 /nfs/dbraw/zinc/06/02/27/1044060227.db2.gz WTIAVKHMXRVUCP-PHIMTYICSA-N 2 1 392.135 3.578 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001293648407 1044277327 /nfs/dbraw/zinc/27/73/27/1044277327.db2.gz IPQMMZRYUYIBSL-KSEOMHKRSA-N 2 1 387.612 3.873 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC1 ZINC001258010509 1044336585 /nfs/dbraw/zinc/33/65/85/1044336585.db2.gz CJQSCZSWFPHVHZ-NQIIRXRSSA-N 2 1 396.554 3.918 20 0 GHADMP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)s1 ZINC001279076499 1044410021 /nfs/dbraw/zinc/41/00/21/1044410021.db2.gz HCPUXMZYVSLTQK-IYBDPMFKSA-N 2 1 389.590 3.915 20 0 GHADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)s1 ZINC001279076499 1044410028 /nfs/dbraw/zinc/41/00/28/1044410028.db2.gz HCPUXMZYVSLTQK-IYBDPMFKSA-N 2 1 389.590 3.915 20 0 GHADMP CSc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cccc(=O)[nH]4)CC[C@@H]3C2)s1 ZINC001279076499 1044410036 /nfs/dbraw/zinc/41/00/36/1044410036.db2.gz HCPUXMZYVSLTQK-IYBDPMFKSA-N 2 1 389.590 3.915 20 0 GHADMP Cc1[nH]c(=O)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2c1CCCC2 ZINC001258135577 1044421022 /nfs/dbraw/zinc/42/10/22/1044421022.db2.gz OHPQMPAHRSLRRH-UHFFFAOYSA-N 2 1 379.548 3.771 20 0 GHADMP O=C(N[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1)C1CCC1 ZINC001258137180 1044422029 /nfs/dbraw/zinc/42/20/29/1044422029.db2.gz CTRUPLUYPJXCIL-HZCBDIJESA-N 2 1 383.580 3.511 20 0 GHADMP CC(C)OCC[NH+](CCOC(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258145178 1044433325 /nfs/dbraw/zinc/43/33/25/1044433325.db2.gz GHGNYRHQLGDIDE-UHFFFAOYSA-N 2 1 376.585 3.846 20 0 GHADMP CCCc1noc([C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC001258147998 1044437693 /nfs/dbraw/zinc/43/76/93/1044437693.db2.gz XTFSRBFILHBZTP-HXUWFJFHSA-N 2 1 382.552 3.909 20 0 GHADMP CCCc1noc([C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)n1 ZINC001258147998 1044437695 /nfs/dbraw/zinc/43/76/95/1044437695.db2.gz XTFSRBFILHBZTP-HXUWFJFHSA-N 2 1 382.552 3.909 20 0 GHADMP CCCc1noc([C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258147998 1044437700 /nfs/dbraw/zinc/43/77/00/1044437700.db2.gz XTFSRBFILHBZTP-HXUWFJFHSA-N 2 1 382.552 3.909 20 0 GHADMP CCCc1noc([C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC001258147998 1044437704 /nfs/dbraw/zinc/43/77/04/1044437704.db2.gz XTFSRBFILHBZTP-HXUWFJFHSA-N 2 1 382.552 3.909 20 0 GHADMP C[C@H](Cc1cccnc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001258626018 1044674782 /nfs/dbraw/zinc/67/47/82/1044674782.db2.gz WNTANJULDBMHLM-QUCCMNQESA-N 2 1 385.577 3.830 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC001294552261 1044699661 /nfs/dbraw/zinc/69/96/61/1044699661.db2.gz CIXNWAQHINUFPW-BJKOFHAPSA-N 2 1 397.607 3.868 20 0 GHADMP CCCCC[C@H](CCC)[N@@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258670033 1044703612 /nfs/dbraw/zinc/70/36/12/1044703612.db2.gz WPJIEVAHIMHNCZ-PZJWPPBQSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCC[C@H](CCC)[N@H+]1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001258670033 1044703632 /nfs/dbraw/zinc/70/36/32/1044703632.db2.gz WPJIEVAHIMHNCZ-PZJWPPBQSA-N 2 1 391.604 3.576 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)CC1 ZINC001258774352 1044759693 /nfs/dbraw/zinc/75/96/93/1044759693.db2.gz JKWIVHLNBZATSL-HSZRJFAPSA-N 2 1 389.559 3.619 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC001258823922 1044774973 /nfs/dbraw/zinc/77/49/73/1044774973.db2.gz ORHDJOMXXIQGFP-AZUAARDMSA-N 2 1 383.580 3.816 20 0 GHADMP COc1ccccc1C[C@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001258889589 1044842591 /nfs/dbraw/zinc/84/25/91/1044842591.db2.gz PBVUXTWSWFWJBX-PZJWPPBQSA-N 2 1 398.547 3.975 20 0 GHADMP CCn1ncc2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2COc1cccnc1 ZINC001258910591 1044863305 /nfs/dbraw/zinc/86/33/05/1044863305.db2.gz RYZBFHJPGHWHSP-VQTJNVASSA-N 2 1 399.583 3.787 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001295962865 1045201598 /nfs/dbraw/zinc/20/15/98/1045201598.db2.gz MGJKIXURGWGUTG-YADHBBJMSA-N 2 1 383.580 3.622 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001296188521 1045276005 /nfs/dbraw/zinc/27/60/05/1045276005.db2.gz LBEAGUFPIFNCGF-GGAORHGYSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001296188521 1045276011 /nfs/dbraw/zinc/27/60/11/1045276011.db2.gz LBEAGUFPIFNCGF-GGAORHGYSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001296188521 1045276019 /nfs/dbraw/zinc/27/60/19/1045276019.db2.gz LBEAGUFPIFNCGF-GGAORHGYSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001296188521 1045276021 /nfs/dbraw/zinc/27/60/21/1045276021.db2.gz LBEAGUFPIFNCGF-GGAORHGYSA-N 2 1 383.580 3.907 20 0 GHADMP Clc1cccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1Cl ZINC001279206388 1046017886 /nfs/dbraw/zinc/01/78/86/1046017886.db2.gz OJPGANQPVVBMOT-UHFFFAOYSA-N 2 1 379.335 3.788 20 0 GHADMP CSc1nccc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4scnc4C)(C2)CCC3)n1 ZINC001279186183 1047739544 /nfs/dbraw/zinc/73/95/44/1047739544.db2.gz FNYRADPADGIPNZ-RBUKOAKNSA-N 2 1 389.594 3.688 20 0 GHADMP Brc1ccnc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279311628 1047762923 /nfs/dbraw/zinc/76/29/23/1047762923.db2.gz BQWGRTNWDBKSHV-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1ccnc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279311628 1047762928 /nfs/dbraw/zinc/76/29/28/1047762928.db2.gz BQWGRTNWDBKSHV-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP Brc1ccnc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1 ZINC001279311628 1047762932 /nfs/dbraw/zinc/76/29/32/1047762932.db2.gz BQWGRTNWDBKSHV-IYBDPMFKSA-N 2 1 378.358 3.931 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)cccc1SC)CC2 ZINC001279494488 1047824593 /nfs/dbraw/zinc/82/45/93/1047824593.db2.gz IJXVGVKBNPLXBY-UHFFFAOYSA-N 2 1 399.000 3.970 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)cccc1SC)CC2 ZINC001279494488 1047824599 /nfs/dbraw/zinc/82/45/99/1047824599.db2.gz IJXVGVKBNPLXBY-UHFFFAOYSA-N 2 1 399.000 3.970 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001279580651 1047853329 /nfs/dbraw/zinc/85/33/29/1047853329.db2.gz ZRBNTELUKDCZFU-ILWGZMRPSA-N 2 1 375.988 3.793 20 0 GHADMP FC(F)(F)c1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279708320 1047927693 /nfs/dbraw/zinc/92/76/93/1047927693.db2.gz RQMVNUQSSJSDRI-IYBDPMFKSA-N 2 1 384.471 3.834 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279708320 1047927697 /nfs/dbraw/zinc/92/76/97/1047927697.db2.gz RQMVNUQSSJSDRI-IYBDPMFKSA-N 2 1 384.471 3.834 20 0 GHADMP FC(F)(F)c1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001279708320 1047927701 /nfs/dbraw/zinc/92/77/01/1047927701.db2.gz RQMVNUQSSJSDRI-IYBDPMFKSA-N 2 1 384.471 3.834 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c(Cl)nc1C ZINC001279947375 1047999609 /nfs/dbraw/zinc/99/96/09/1047999609.db2.gz SUHHNXKRGSSWHM-UHFFFAOYSA-N 2 1 378.992 3.591 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)c(Cl)nc1C ZINC001279947375 1047999613 /nfs/dbraw/zinc/99/96/13/1047999613.db2.gz SUHHNXKRGSSWHM-UHFFFAOYSA-N 2 1 378.992 3.591 20 0 GHADMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1SC)CC2 ZINC001280156385 1048107964 /nfs/dbraw/zinc/10/79/64/1048107964.db2.gz JFQCXQNGFMUQRJ-UHFFFAOYSA-N 2 1 399.000 3.970 20 0 GHADMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(Cl)ccc1SC)CC2 ZINC001280156385 1048107973 /nfs/dbraw/zinc/10/79/73/1048107973.db2.gz JFQCXQNGFMUQRJ-UHFFFAOYSA-N 2 1 399.000 3.970 20 0 GHADMP C[N@H+](CCN1CC[NH+](CCCc2c(F)cccc2F)CC1)Cc1ccccc1 ZINC001307457854 1049294353 /nfs/dbraw/zinc/29/43/53/1049294353.db2.gz BATOQLBFAHLSCN-UHFFFAOYSA-N 2 1 387.518 3.647 20 0 GHADMP C[N@@H+](CCN1CC[NH+](CCCc2c(F)cccc2F)CC1)Cc1ccccc1 ZINC001307457854 1049294362 /nfs/dbraw/zinc/29/43/62/1049294362.db2.gz BATOQLBFAHLSCN-UHFFFAOYSA-N 2 1 387.518 3.647 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]1CC1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001307886237 1049667545 /nfs/dbraw/zinc/66/75/45/1049667545.db2.gz MQLXDDAIUBMLSI-HSZRJFAPSA-N 2 1 383.580 3.943 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC001308003934 1049752924 /nfs/dbraw/zinc/75/29/24/1049752924.db2.gz YZHNCTLKXLWUID-HSZRJFAPSA-N 2 1 383.580 3.548 20 0 GHADMP C[N@@H+](CCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)Cc1ccccc1 ZINC001290319110 1049801019 /nfs/dbraw/zinc/80/10/19/1049801019.db2.gz IPAXIZJHMXIMSC-UHFFFAOYSA-N 2 1 379.548 3.924 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC001308265363 1049931411 /nfs/dbraw/zinc/93/14/11/1049931411.db2.gz CLQHDJDWOOVMNS-MAUKXSAKSA-N 2 1 399.373 3.684 20 0 GHADMP C[N@@H+](CCCOc1ccccc1C[NH2+]Cc1cnn2c1CCC2)C1CCCC1 ZINC001308296074 1049940871 /nfs/dbraw/zinc/94/08/71/1049940871.db2.gz RQMWRJSCGOGENW-UHFFFAOYSA-N 2 1 382.552 3.762 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC001308303326 1049943064 /nfs/dbraw/zinc/94/30/64/1049943064.db2.gz IUDXDIDOVNBFBA-UHFFFAOYSA-N 2 1 396.535 3.812 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001308343100 1049953600 /nfs/dbraw/zinc/95/36/00/1049953600.db2.gz LQTVYRGXDZKDCI-CEMLEFRQSA-N 2 1 384.520 3.695 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC001308343100 1049953605 /nfs/dbraw/zinc/95/36/05/1049953605.db2.gz LQTVYRGXDZKDCI-CEMLEFRQSA-N 2 1 384.520 3.695 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC001308489150 1049988693 /nfs/dbraw/zinc/98/86/93/1049988693.db2.gz WSPIQCXMSSBQQO-WIYYLYMNSA-N 2 1 398.547 3.960 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC001308686426 1050059624 /nfs/dbraw/zinc/05/96/24/1050059624.db2.gz ZYXZLVOVASKWKO-AWEZNQCLSA-N 2 1 382.346 3.762 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308729393 1050073784 /nfs/dbraw/zinc/07/37/84/1050073784.db2.gz ZRJMPBFAXCUPNE-JOCHJYFZSA-N 2 1 387.568 3.793 20 0 GHADMP CCc1cc(OC)ccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001308757801 1050084182 /nfs/dbraw/zinc/08/41/82/1050084182.db2.gz MHBXVWIKVTZSHZ-DEOSSOPVSA-N 2 1 393.575 3.650 20 0 GHADMP CCc1cc(OC)ccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001308757801 1050084187 /nfs/dbraw/zinc/08/41/87/1050084187.db2.gz MHBXVWIKVTZSHZ-DEOSSOPVSA-N 2 1 393.575 3.650 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001308761479 1050086224 /nfs/dbraw/zinc/08/62/24/1050086224.db2.gz XPNHLBMATHCGLM-DEOSSOPVSA-N 2 1 399.579 3.889 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001308761479 1050086229 /nfs/dbraw/zinc/08/62/29/1050086229.db2.gz XPNHLBMATHCGLM-DEOSSOPVSA-N 2 1 399.579 3.889 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001308761479 1050086234 /nfs/dbraw/zinc/08/62/34/1050086234.db2.gz XPNHLBMATHCGLM-DEOSSOPVSA-N 2 1 399.579 3.889 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC001310275908 1051265815 /nfs/dbraw/zinc/26/58/15/1051265815.db2.gz CSLFHMZJPOEDBM-FQEVSTJZSA-N 2 1 390.572 3.649 20 0 GHADMP c1ccc([C@H](C[NH+]2CC[C@H]3OCCC[C@H]3C2)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001333019097 1051633955 /nfs/dbraw/zinc/63/39/55/1051633955.db2.gz LELQTTMOSFSCHA-TWNZBZMVSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001333019097 1051633971 /nfs/dbraw/zinc/63/39/71/1051633971.db2.gz LELQTTMOSFSCHA-TWNZBZMVSA-N 2 1 398.591 3.772 20 0 GHADMP c1ccc([C@@H](C[NH+]2CC[C@@H]3OCCC[C@@H]3C2)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001333019097 1051633996 /nfs/dbraw/zinc/63/39/96/1051633996.db2.gz LELQTTMOSFSCHA-TWNZBZMVSA-N 2 1 398.591 3.772 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3nc4cc(Br)ccc4o3)C[C@H]2C1 ZINC001334356594 1051933148 /nfs/dbraw/zinc/93/31/48/1051933148.db2.gz NYUJWPQWANIBLV-UMVBOHGHSA-N 2 1 378.314 3.752 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC001311351608 1052049546 /nfs/dbraw/zinc/04/95/46/1052049546.db2.gz MZMJRHKFDKIIOE-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001311373967 1052068840 /nfs/dbraw/zinc/06/88/40/1052068840.db2.gz MWCFZJRBEIZFJM-PMACEKPBSA-N 2 1 392.975 3.651 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001311535170 1052227964 /nfs/dbraw/zinc/22/79/64/1052227964.db2.gz XIMCJVHNZGRBHK-FYYLOGMGSA-N 2 1 388.600 3.707 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001311587497 1052267239 /nfs/dbraw/zinc/26/72/39/1052267239.db2.gz CPGIIEVYTJZPEB-ZCNNSNEGSA-N 2 1 388.600 3.694 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC001337057204 1052387388 /nfs/dbraw/zinc/38/73/88/1052387388.db2.gz HUTLHWAZTYIAQC-JOCHJYFZSA-N 2 1 384.568 3.663 20 0 GHADMP CCC(CC)(CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH2+][C@@H](C)c1ccccc1 ZINC001311995722 1052520103 /nfs/dbraw/zinc/52/01/03/1052520103.db2.gz YECZUCYCIQHSBP-SESVDKBCSA-N 2 1 386.584 3.632 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001312338996 1052702220 /nfs/dbraw/zinc/70/22/20/1052702220.db2.gz SFEHFTLLZKUXLU-NHCUHLMSSA-N 2 1 380.621 3.554 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC001312558648 1052791591 /nfs/dbraw/zinc/79/15/91/1052791591.db2.gz UUSGKAIJVZETII-NRFANRHFSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001312558648 1052791595 /nfs/dbraw/zinc/79/15/95/1052791595.db2.gz UUSGKAIJVZETII-NRFANRHFSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC001312558648 1052791598 /nfs/dbraw/zinc/79/15/98/1052791598.db2.gz UUSGKAIJVZETII-NRFANRHFSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001312799039 1052874585 /nfs/dbraw/zinc/87/45/85/1052874585.db2.gz XRCFPSCKLLIYFC-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001312799039 1052874590 /nfs/dbraw/zinc/87/45/90/1052874590.db2.gz XRCFPSCKLLIYFC-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001312799039 1052874594 /nfs/dbraw/zinc/87/45/94/1052874594.db2.gz XRCFPSCKLLIYFC-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001312931931 1052914465 /nfs/dbraw/zinc/91/44/65/1052914465.db2.gz GBFGNDVBLDJDBS-VQTJNVASSA-N 2 1 392.613 3.618 20 0 GHADMP C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001343228780 1053634559 /nfs/dbraw/zinc/63/45/59/1053634559.db2.gz YNUQBDYTADTGIX-ZTCOLXNVSA-N 2 1 391.559 3.791 20 0 GHADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)CC1 ZINC001318557913 1054716822 /nfs/dbraw/zinc/71/68/22/1054716822.db2.gz OJGQAKOBMHUJLQ-UHFFFAOYSA-N 2 1 388.939 3.855 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001318665626 1054784081 /nfs/dbraw/zinc/78/40/81/1054784081.db2.gz QZEZVPPBFMCWCE-JTHBVZDNSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCCC[NH+]2CCC[C@H](C)C2)c1 ZINC001318665626 1054784095 /nfs/dbraw/zinc/78/40/95/1054784095.db2.gz QZEZVPPBFMCWCE-JTHBVZDNSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCCC[NH+]2CCC[C@H](C)C2)c1 ZINC001318665626 1054784112 /nfs/dbraw/zinc/78/41/12/1054784112.db2.gz QZEZVPPBFMCWCE-JTHBVZDNSA-N 2 1 385.596 3.978 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001345808809 1055270554 /nfs/dbraw/zinc/27/05/54/1055270554.db2.gz NAUPXVSIUJDKMM-YZGWKJHDSA-N 2 1 381.524 3.517 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1 ZINC001345808809 1055270565 /nfs/dbraw/zinc/27/05/65/1055270565.db2.gz NAUPXVSIUJDKMM-YZGWKJHDSA-N 2 1 381.524 3.517 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC001319903716 1055533119 /nfs/dbraw/zinc/53/31/19/1055533119.db2.gz CBKXBGJQVSJUFV-LZQZEXGQSA-N 2 1 381.358 3.991 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)C1 ZINC001319903716 1055533126 /nfs/dbraw/zinc/53/31/26/1055533126.db2.gz CBKXBGJQVSJUFV-LZQZEXGQSA-N 2 1 381.358 3.991 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1)CC1CC1 ZINC001320696690 1055930969 /nfs/dbraw/zinc/93/09/69/1055930969.db2.gz IADRTANCXRPBHW-QHCPKHFHSA-N 2 1 383.580 3.794 20 0 GHADMP CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001325221412 1057292328 /nfs/dbraw/zinc/29/23/28/1057292328.db2.gz BBJKRSMUDBDNRW-NRFANRHFSA-N 2 1 395.551 3.734 20 0 GHADMP Cc1cc(NC(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc(C)[nH+]1 ZINC001338112353 1058410413 /nfs/dbraw/zinc/41/04/13/1058410413.db2.gz LSOZHBBVHAPWRO-QGZVFWFLSA-N 2 1 380.414 3.564 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC001442090223 1058916008 /nfs/dbraw/zinc/91/60/08/1058916008.db2.gz VQRSLVIUHSIIMF-BGWNEDDSSA-N 2 1 385.596 3.976 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCC23CC[NH2+]CC3)[C@H]1c1cccs1 ZINC001340106380 1059701471 /nfs/dbraw/zinc/70/14/71/1059701471.db2.gz SVONPHUTHNBTKF-GGPKGHCWSA-N 2 1 389.609 3.807 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001446719808 1059840163 /nfs/dbraw/zinc/84/01/63/1059840163.db2.gz ZAHIKZIJQLPEBM-VJFDXUIRSA-N 2 1 383.580 3.524 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001479081342 1060934306 /nfs/dbraw/zinc/93/43/06/1060934306.db2.gz BZLLZCRFCMKAGW-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001479081342 1060934308 /nfs/dbraw/zinc/93/43/08/1060934308.db2.gz BZLLZCRFCMKAGW-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001479081342 1060934310 /nfs/dbraw/zinc/93/43/10/1060934310.db2.gz BZLLZCRFCMKAGW-PKTZIBPZSA-N 2 1 398.595 3.699 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccccc1Oc1ccccc1 ZINC001346016593 1061290614 /nfs/dbraw/zinc/29/06/14/1061290614.db2.gz CUFZAQHZIOIHLF-UHFFFAOYSA-N 2 1 379.504 3.883 20 0 GHADMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001454122557 1061614359 /nfs/dbraw/zinc/61/43/59/1061614359.db2.gz SUGNSIHWZJEVPK-DHIUTWEWSA-N 2 1 397.607 3.915 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001454630944 1061892224 /nfs/dbraw/zinc/89/22/24/1061892224.db2.gz BSNOPUDOQMBTBJ-QDSKXPNFSA-N 2 1 391.559 3.535 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001435064529 1062261941 /nfs/dbraw/zinc/26/19/41/1062261941.db2.gz LGJPSTRSRKSYMZ-QFIPXVFZSA-N 2 1 377.548 3.570 20 0 GHADMP CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)(c2ccccc2)CC1 ZINC001455689189 1062264336 /nfs/dbraw/zinc/26/43/36/1062264336.db2.gz NNCBMPAEQLWJTP-FQEVSTJZSA-N 2 1 383.580 3.515 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCCC4(CC[NH2+]CC4)C3)cc2)C1 ZINC001348543024 1063196612 /nfs/dbraw/zinc/19/66/12/1063196612.db2.gz LUZRFLYOUKPKHW-FQEVSTJZSA-N 2 1 398.595 3.594 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[NH+](C)C)cc1 ZINC001457464159 1063198056 /nfs/dbraw/zinc/19/80/56/1063198056.db2.gz NNANUWOKMPEGAA-ZRBLBEILSA-N 2 1 379.548 3.661 20 0 GHADMP O=C(C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC001349389246 1063691572 /nfs/dbraw/zinc/69/15/72/1063691572.db2.gz JVTRUZZNINSKQB-UHFFFAOYSA-N 2 1 389.849 3.763 20 0 GHADMP O=C(C[N@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC001349389246 1063691587 /nfs/dbraw/zinc/69/15/87/1063691587.db2.gz JVTRUZZNINSKQB-UHFFFAOYSA-N 2 1 389.849 3.763 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](CCc1ccccc1)C1CCCC1)c1ccccc1 ZINC001459446980 1064100649 /nfs/dbraw/zinc/10/06/49/1064100649.db2.gz BOQLTVCRZCVSBC-XMMPIXPASA-N 2 1 393.575 3.893 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1)c1ccccc1 ZINC001459905724 1064265551 /nfs/dbraw/zinc/26/55/51/1064265551.db2.gz LPYAZWMUPSFIRC-VWNXMTODSA-N 2 1 379.548 3.503 20 0 GHADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC001465004831 1065320653 /nfs/dbraw/zinc/32/06/53/1065320653.db2.gz YURHWLOBLHINLZ-WMZHIEFXSA-N 2 1 395.547 3.593 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@H](C)C1 ZINC001200459980 1066291656 /nfs/dbraw/zinc/29/16/56/1066291656.db2.gz RDZFTVSYIGJSCR-MJGOQNOKSA-N 2 1 394.629 3.668 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@H](C)C1 ZINC001200459980 1066291666 /nfs/dbraw/zinc/29/16/66/1066291666.db2.gz RDZFTVSYIGJSCR-MJGOQNOKSA-N 2 1 394.629 3.668 20 0 GHADMP CC[NH+](CC)CCOc1cccc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC001467516103 1067337392 /nfs/dbraw/zinc/33/73/92/1067337392.db2.gz CURZDVVNIXSMIA-HXUWFJFHSA-N 2 1 390.572 3.649 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC001467870185 1067508759 /nfs/dbraw/zinc/50/87/59/1067508759.db2.gz PCMYHONIQAYVMI-WOJBJXKFSA-N 2 1 388.600 3.838 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001467870185 1067508768 /nfs/dbraw/zinc/50/87/68/1067508768.db2.gz PCMYHONIQAYVMI-WOJBJXKFSA-N 2 1 388.600 3.838 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001467870185 1067508774 /nfs/dbraw/zinc/50/87/74/1067508774.db2.gz PCMYHONIQAYVMI-WOJBJXKFSA-N 2 1 388.600 3.838 20 0 GHADMP CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001468004880 1067561078 /nfs/dbraw/zinc/56/10/78/1067561078.db2.gz QRYBRLPJAWBFBH-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001468247695 1067650067 /nfs/dbraw/zinc/65/00/67/1067650067.db2.gz NTPVPQLTZHILQJ-QFBILLFUSA-N 2 1 394.991 3.752 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001468346252 1067695743 /nfs/dbraw/zinc/69/57/43/1067695743.db2.gz AUWHQNWAUNIULH-GMAHTHKFSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001468346252 1067695745 /nfs/dbraw/zinc/69/57/45/1067695745.db2.gz AUWHQNWAUNIULH-GMAHTHKFSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001468346252 1067695747 /nfs/dbraw/zinc/69/57/47/1067695747.db2.gz AUWHQNWAUNIULH-GMAHTHKFSA-N 2 1 398.595 3.605 20 0 GHADMP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)Cc2ccccc2C1 ZINC000849107509 1067732069 /nfs/dbraw/zinc/73/20/69/1067732069.db2.gz SSWNPCWVTXKQRM-UHFFFAOYSA-N 2 1 392.425 3.621 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001468611703 1067791269 /nfs/dbraw/zinc/79/12/69/1067791269.db2.gz ZUAHGFARWAAFRT-FKBYEOEOSA-N 2 1 386.584 3.555 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001477858354 1078597036 /nfs/dbraw/zinc/59/70/36/1078597036.db2.gz JLOGTXPWGOSKDN-UHFFFAOYSA-N 2 1 388.600 3.982 20 0 GHADMP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001468872193 1067914598 /nfs/dbraw/zinc/91/45/98/1067914598.db2.gz GWFLPOLHVQUKJY-GGAORHGYSA-N 2 1 398.595 3.920 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@H](C)[NH+](Cc2ccccc2)C[C@H]1C ZINC001468947303 1067935307 /nfs/dbraw/zinc/93/53/07/1067935307.db2.gz NTRONAWKIXAXQW-TUNNFDKTSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001468947303 1067935310 /nfs/dbraw/zinc/93/53/10/1067935310.db2.gz NTRONAWKIXAXQW-TUNNFDKTSA-N 2 1 386.584 3.555 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001468947303 1067935313 /nfs/dbraw/zinc/93/53/13/1067935313.db2.gz NTRONAWKIXAXQW-TUNNFDKTSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001469319543 1068100573 /nfs/dbraw/zinc/10/05/73/1068100573.db2.gz VAOPIDVNULIFAL-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP CCC[N@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[NH+](CC)CCO2)cc1 ZINC001469661728 1068293300 /nfs/dbraw/zinc/29/33/00/1068293300.db2.gz PRCOEOJIRNTPNI-QHCPKHFHSA-N 2 1 395.547 3.758 20 0 GHADMP CCC[N@@H+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[NH+](CC)CCO2)cc1 ZINC001469661728 1068293311 /nfs/dbraw/zinc/29/33/11/1068293311.db2.gz PRCOEOJIRNTPNI-QHCPKHFHSA-N 2 1 395.547 3.758 20 0 GHADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC001469661728 1068293318 /nfs/dbraw/zinc/29/33/18/1068293318.db2.gz PRCOEOJIRNTPNI-QHCPKHFHSA-N 2 1 395.547 3.758 20 0 GHADMP CCC[NH+](Cc1ccccc1)Cc1ccc(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC001469661728 1068293325 /nfs/dbraw/zinc/29/33/25/1068293325.db2.gz PRCOEOJIRNTPNI-QHCPKHFHSA-N 2 1 395.547 3.758 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001469706620 1068325399 /nfs/dbraw/zinc/32/53/99/1068325399.db2.gz JEIXGTMFSDFWEP-UNMCSNQZSA-N 2 1 388.600 3.516 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)c1 ZINC001469978783 1068500377 /nfs/dbraw/zinc/50/03/77/1068500377.db2.gz KFLPWKHRLYFDKC-QHCPKHFHSA-N 2 1 398.595 3.619 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC001469978783 1068500385 /nfs/dbraw/zinc/50/03/85/1068500385.db2.gz KFLPWKHRLYFDKC-QHCPKHFHSA-N 2 1 398.595 3.619 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC001470094028 1068568550 /nfs/dbraw/zinc/56/85/50/1068568550.db2.gz JBYVHUUAGAAACY-ZRCGQRJVSA-N 2 1 394.563 3.594 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC001470094028 1068568564 /nfs/dbraw/zinc/56/85/64/1068568564.db2.gz JBYVHUUAGAAACY-ZRCGQRJVSA-N 2 1 394.563 3.594 20 0 GHADMP O=C(NC[C@@H]1CCN1Cc1ccccc1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001470376008 1068708693 /nfs/dbraw/zinc/70/86/93/1068708693.db2.gz RUCGVCGFHMKOOB-XZOQPEGZSA-N 2 1 395.522 3.571 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)NC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001471614620 1073159193 /nfs/dbraw/zinc/15/91/93/1073159193.db2.gz RKJNVUDUNCHCCI-IRLDBZIGSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472133994 1073340801 /nfs/dbraw/zinc/34/08/01/1073340801.db2.gz PXNGULPIRQLQGC-QGZVFWFLSA-N 2 1 378.476 3.840 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC001479081970 1079096655 /nfs/dbraw/zinc/09/66/55/1079096655.db2.gz HZQUCYMNCCCAJH-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001479081970 1079096659 /nfs/dbraw/zinc/09/66/59/1079096659.db2.gz HZQUCYMNCCCAJH-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001479081970 1079096663 /nfs/dbraw/zinc/09/66/63/1079096663.db2.gz HZQUCYMNCCCAJH-GOTSBHOMSA-N 2 1 398.595 3.699 20 0 GHADMP CC(=O)NC[C@H]1CCC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130049 1073796663 /nfs/dbraw/zinc/79/66/63/1073796663.db2.gz LOSORRPKQXEGRC-NOZRDPDXSA-N 2 1 393.575 3.750 20 0 GHADMP CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130049 1073796671 /nfs/dbraw/zinc/79/66/71/1073796671.db2.gz LOSORRPKQXEGRC-NOZRDPDXSA-N 2 1 393.575 3.750 20 0 GHADMP CC(=O)NC[C@H]1CCC[N@H+](C[C@H](C[NH+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001473130049 1073796676 /nfs/dbraw/zinc/79/66/76/1073796676.db2.gz LOSORRPKQXEGRC-NOZRDPDXSA-N 2 1 393.575 3.750 20 0 GHADMP CC(C)[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473185167 1073839936 /nfs/dbraw/zinc/83/99/36/1073839936.db2.gz MQUHMMOQSVTTCO-PMACEKPBSA-N 2 1 377.960 3.714 20 0 GHADMP CC(C)[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473185167 1073839946 /nfs/dbraw/zinc/83/99/46/1073839946.db2.gz MQUHMMOQSVTTCO-PMACEKPBSA-N 2 1 377.960 3.714 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC2(CC1)OCCO2)c1ccccc1 ZINC001473525180 1074001425 /nfs/dbraw/zinc/00/14/25/1074001425.db2.gz RODRYMTVFFAGCD-QHCPKHFHSA-N 2 1 380.532 3.741 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569395 1074020674 /nfs/dbraw/zinc/02/06/74/1074020674.db2.gz LRDPKPSMULVUBC-DNQXCXABSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569395 1074020681 /nfs/dbraw/zinc/02/06/81/1074020681.db2.gz LRDPKPSMULVUBC-DNQXCXABSA-N 2 1 389.547 3.831 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CCC[C@@H](n2ccnn2)C1)c1ccccc1 ZINC001473569395 1074020689 /nfs/dbraw/zinc/02/06/89/1074020689.db2.gz LRDPKPSMULVUBC-DNQXCXABSA-N 2 1 389.547 3.831 20 0 GHADMP CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001473586158 1074033358 /nfs/dbraw/zinc/03/33/58/1074033358.db2.gz DZZXXSLACYLBIV-UHFFFAOYSA-N 2 1 376.545 3.679 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001479516744 1079222319 /nfs/dbraw/zinc/22/23/19/1079222319.db2.gz YTKBENMLLREJSG-KEZQHZCBSA-N 2 1 388.600 3.656 20 0 GHADMP Cc1ccccc1C(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001473912973 1074200937 /nfs/dbraw/zinc/20/09/37/1074200937.db2.gz CDYYHSQZCHHXRS-UHFFFAOYSA-N 2 1 391.559 3.854 20 0 GHADMP CCC(CC)[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[NH+](C)C ZINC001473926148 1074206316 /nfs/dbraw/zinc/20/63/16/1074206316.db2.gz SGMJIDPCWCKYEK-LSDHHAIUSA-N 2 1 383.499 3.788 20 0 GHADMP CCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC001473927296 1074206536 /nfs/dbraw/zinc/20/65/36/1074206536.db2.gz HEFLTQBPBWOFQU-JOCHJYFZSA-N 2 1 385.527 3.693 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@](C)(O)c1ccc(F)cc1F ZINC001474002317 1074232349 /nfs/dbraw/zinc/23/23/49/1074232349.db2.gz LWPIDSZKHCRFGB-JOCHJYFZSA-N 2 1 376.491 3.920 20 0 GHADMP CCOc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1OCC(C)C ZINC001474068471 1074253419 /nfs/dbraw/zinc/25/34/19/1074253419.db2.gz XUUMANJTLANMSW-SFTDATJTSA-N 2 1 390.568 3.588 20 0 GHADMP C[NH+](C)Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)c2c1OC(F)(F)O2 ZINC001474212138 1074295535 /nfs/dbraw/zinc/29/55/35/1074295535.db2.gz NFRDERPOTXIVPA-GOSISDBHSA-N 2 1 395.494 3.566 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001474387404 1074379394 /nfs/dbraw/zinc/37/93/94/1074379394.db2.gz PNGCABRLDLEIFU-RGCMJDONSA-N 2 1 399.579 3.932 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001474722077 1074533224 /nfs/dbraw/zinc/53/32/24/1074533224.db2.gz CMKZEKJUPQIGIK-OFNKIYASSA-N 2 1 378.516 3.973 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001474722077 1074533229 /nfs/dbraw/zinc/53/32/29/1074533229.db2.gz CMKZEKJUPQIGIK-OFNKIYASSA-N 2 1 378.516 3.973 20 0 GHADMP Cc1ccc(NCCNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)[nH+]c1 ZINC001476293759 1075117796 /nfs/dbraw/zinc/11/77/96/1075117796.db2.gz CYHZVBGKPKDFQY-UHFFFAOYSA-N 2 1 395.551 3.898 20 0 GHADMP CCCC[N@@H+](C)CCn1c([C@@H](C)CC)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001500407320 1079598637 /nfs/dbraw/zinc/59/86/37/1079598637.db2.gz ITFDIZKRIHFUSB-IBGZPJMESA-N 2 1 390.620 3.588 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736266881 598491790 /nfs/dbraw/zinc/49/17/90/598491790.db2.gz PTYPLGPUFGHYJU-KRWDZBQOSA-N 2 1 376.508 3.531 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419661 599379403 /nfs/dbraw/zinc/37/94/03/599379403.db2.gz JAQFLNZRGWCDCD-YJLNNSPDSA-N 2 1 382.537 3.662 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419661 599379406 /nfs/dbraw/zinc/37/94/06/599379406.db2.gz JAQFLNZRGWCDCD-YJLNNSPDSA-N 2 1 382.537 3.662 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821255292 606083477 /nfs/dbraw/zinc/08/34/77/606083477.db2.gz XNXYKZJRIZALIV-VGOFRKELSA-N 2 1 390.535 3.696 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821255292 606083481 /nfs/dbraw/zinc/08/34/81/606083481.db2.gz XNXYKZJRIZALIV-VGOFRKELSA-N 2 1 390.535 3.696 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821255292 606083485 /nfs/dbraw/zinc/08/34/85/606083485.db2.gz XNXYKZJRIZALIV-VGOFRKELSA-N 2 1 390.535 3.696 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CCC5(CCCC[NH2+]5)CC4)ccc3C2)cc1 ZINC001164386952 718802874 /nfs/dbraw/zinc/80/28/74/718802874.db2.gz HVMICGLVJCKBFG-UHFFFAOYSA-N 2 1 376.548 3.752 20 0 GHADMP Cc1ccc2c(c1)cc(Cl)nc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684581 719632626 /nfs/dbraw/zinc/63/26/26/719632626.db2.gz VFKGKZQSRHSVIE-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP Cc1ccc2c(c1)cc(Cl)nc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684581 719632629 /nfs/dbraw/zinc/63/26/29/719632629.db2.gz VFKGKZQSRHSVIE-UHFFFAOYSA-N 2 1 383.927 3.868 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)nc3c(F)cccc23)c2c1CC[NH2+]C2 ZINC001164685351 719652373 /nfs/dbraw/zinc/65/23/73/719652373.db2.gz ZHWJORFDASZXIE-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)nc3c(F)cccc23)c2c1CC[NH2+]C2 ZINC001164685351 719652377 /nfs/dbraw/zinc/65/23/77/719652377.db2.gz ZHWJORFDASZXIE-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000659070506 837442970 /nfs/dbraw/zinc/44/29/70/837442970.db2.gz NJORIFSKGJWQSX-REWPJTCUSA-N 2 1 377.532 3.729 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000659070506 837442975 /nfs/dbraw/zinc/44/29/75/837442975.db2.gz NJORIFSKGJWQSX-REWPJTCUSA-N 2 1 377.532 3.729 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543555 837472798 /nfs/dbraw/zinc/47/27/98/837472798.db2.gz PHADKSYJPGLBRM-VQTJNVASSA-N 2 1 395.547 3.881 20 0 GHADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000176240077 837529197 /nfs/dbraw/zinc/52/91/97/837529197.db2.gz FILFXCQTYYCKTC-AVRDEDQJSA-N 2 1 395.551 3.591 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(C)C ZINC000655685448 837668326 /nfs/dbraw/zinc/66/83/26/837668326.db2.gz DJVDSJMROKIVLW-XLIONFOSSA-N 2 1 376.541 3.776 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000655708913 837701820 /nfs/dbraw/zinc/70/18/20/837701820.db2.gz PRPCWOPTZRWJPY-HKUYNNGSSA-N 2 1 378.582 3.550 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000579702890 834412972 /nfs/dbraw/zinc/41/29/72/834412972.db2.gz VRJPKSNHILNVCG-KUWBRRTOSA-N 2 1 377.532 3.625 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)c(OC)c1 ZINC000584411403 834546595 /nfs/dbraw/zinc/54/65/95/834546595.db2.gz GTCKZGOZCIPFMV-HZPDHXFCSA-N 2 1 387.549 3.649 20 0 GHADMP CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1F ZINC000278307785 834612569 /nfs/dbraw/zinc/61/25/69/834612569.db2.gz CSZGPSXQWCOWJI-UHFFFAOYSA-N 2 1 375.488 3.831 20 0 GHADMP C[C@@H]1C[C@@H](NCc2cccnc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090942531 834614841 /nfs/dbraw/zinc/61/48/41/834614841.db2.gz LWEAOVFZDDOMDD-APWZRJJASA-N 2 1 375.463 3.868 20 0 GHADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000655744068 837802594 /nfs/dbraw/zinc/80/25/94/837802594.db2.gz NXBYCANUJOHJBJ-SUMWQHHRSA-N 2 1 377.330 3.516 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000650723748 834704855 /nfs/dbraw/zinc/70/48/55/834704855.db2.gz STTDGYPSOFNXQH-UWWQBHOKSA-N 2 1 390.421 3.628 20 0 GHADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000246258951 834860526 /nfs/dbraw/zinc/86/05/26/834860526.db2.gz KVMLIVCINOPASP-ZMDZVOQKSA-N 2 1 377.532 3.634 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000654969832 834880603 /nfs/dbraw/zinc/88/06/03/834880603.db2.gz KGQDTWVSEZRZTI-SFTDATJTSA-N 2 1 385.939 3.619 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000654969832 834880611 /nfs/dbraw/zinc/88/06/11/834880611.db2.gz KGQDTWVSEZRZTI-SFTDATJTSA-N 2 1 385.939 3.619 20 0 GHADMP COc1cc2ccc([C@H](C)[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2cc1OC ZINC000657879092 834885736 /nfs/dbraw/zinc/88/57/36/834885736.db2.gz JILKVCHYFKJCOV-LAUBAEHRSA-N 2 1 386.536 3.745 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3c(C)oc4ccccc43)CC2)CC1 ZINC000583882074 835190705 /nfs/dbraw/zinc/19/07/05/835190705.db2.gz UJKPIWKNLCUDAK-UHFFFAOYSA-N 2 1 397.563 3.596 20 0 GHADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1SC ZINC000658135642 835443775 /nfs/dbraw/zinc/44/37/75/835443775.db2.gz AEPRCMNDUZUGMN-OXJNMPFZSA-N 2 1 386.561 3.835 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000658136506 835445752 /nfs/dbraw/zinc/44/57/52/835445752.db2.gz HIONKUZBVIPDCE-BEFAXECRSA-N 2 1 398.938 3.644 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC001208736668 835464284 /nfs/dbraw/zinc/46/42/84/835464284.db2.gz ILSBKSZDUMAYMJ-SFHVURJKSA-N 2 1 378.944 3.622 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC001208736668 835464290 /nfs/dbraw/zinc/46/42/90/835464290.db2.gz ILSBKSZDUMAYMJ-SFHVURJKSA-N 2 1 378.944 3.622 20 0 GHADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000512984069 844055776 /nfs/dbraw/zinc/05/57/76/844055776.db2.gz AJWWADJNMMEWOQ-OBGWFSINSA-N 2 1 397.950 3.921 20 0 GHADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000151640753 835672875 /nfs/dbraw/zinc/67/28/75/835672875.db2.gz OOBOFGJUKZFHHU-GOSISDBHSA-N 2 1 384.490 3.648 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccco3)c3ccccc3)CC2)CC1 ZINC000584181669 835733588 /nfs/dbraw/zinc/73/35/88/835733588.db2.gz FGDDVBJRNPFNEN-HSZRJFAPSA-N 2 1 395.547 3.682 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081128547 835931931 /nfs/dbraw/zinc/93/19/31/835931931.db2.gz IKXRJLDHCOBJIY-OAQYLSRUSA-N 2 1 375.532 3.511 20 0 GHADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081128547 835931941 /nfs/dbraw/zinc/93/19/41/835931941.db2.gz IKXRJLDHCOBJIY-OAQYLSRUSA-N 2 1 375.532 3.511 20 0 GHADMP C[C@@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000584468042 836038774 /nfs/dbraw/zinc/03/87/74/836038774.db2.gz VQWRLPKQROEKJA-DENIHFKCSA-N 2 1 379.548 3.836 20 0 GHADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000092587275 844121291 /nfs/dbraw/zinc/12/12/91/844121291.db2.gz BNUNIWGAAIXPOK-KDURUIRLSA-N 2 1 382.552 3.706 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1OC ZINC000092587556 844122468 /nfs/dbraw/zinc/12/24/68/844122468.db2.gz UXDZSGJJEDIHRV-IYBDPMFKSA-N 2 1 396.959 3.678 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(Cl)c1OC ZINC000092587556 844122472 /nfs/dbraw/zinc/12/24/72/844122472.db2.gz UXDZSGJJEDIHRV-IYBDPMFKSA-N 2 1 396.959 3.678 20 0 GHADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548481425 844131590 /nfs/dbraw/zinc/13/15/90/844131590.db2.gz FATUSADZLLHWGV-SXLOBPIMSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481425 844131592 /nfs/dbraw/zinc/13/15/92/844131592.db2.gz FATUSADZLLHWGV-SXLOBPIMSA-N 2 1 397.950 3.946 20 0 GHADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OCc1cccnc1 ZINC000647479308 836175324 /nfs/dbraw/zinc/17/53/24/836175324.db2.gz BUMXJULWJZNWIG-NHCUHLMSSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OCc1cccnc1 ZINC000647479308 836175331 /nfs/dbraw/zinc/17/53/31/836175331.db2.gz BUMXJULWJZNWIG-NHCUHLMSSA-N 2 1 381.520 3.633 20 0 GHADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000173867996 836315899 /nfs/dbraw/zinc/31/58/99/836315899.db2.gz HLKLJHQWGMOPNN-WAOWUJCRSA-N 2 1 380.960 3.586 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000414180992 836415057 /nfs/dbraw/zinc/41/50/57/836415057.db2.gz MGKYJCFHRGZGNB-ZWKOTPCHSA-N 2 1 378.582 3.785 20 0 GHADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424180 836417553 /nfs/dbraw/zinc/41/75/53/836417553.db2.gz XASSEYFKDOQDED-SMDDNHRTSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424180 836417561 /nfs/dbraw/zinc/41/75/61/836417561.db2.gz XASSEYFKDOQDED-SMDDNHRTSA-N 2 1 377.273 3.823 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000558424180 836417565 /nfs/dbraw/zinc/41/75/65/836417565.db2.gz XASSEYFKDOQDED-SMDDNHRTSA-N 2 1 377.273 3.823 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000500863846 844184596 /nfs/dbraw/zinc/18/45/96/844184596.db2.gz HDXJYCLONBPQNW-OALUTQOASA-N 2 1 380.602 3.695 20 0 GHADMP C[C@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431697688 836908813 /nfs/dbraw/zinc/90/88/13/836908813.db2.gz IWXRCRXWHXPRTG-SIKLNZKXSA-N 2 1 386.584 3.651 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000150998489 844214688 /nfs/dbraw/zinc/21/46/88/844214688.db2.gz DUZLLFLGFVOACE-UHFFFAOYSA-N 2 1 383.939 3.539 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccccc3-n3cccn3)CC2)cc1 ZINC000119646083 836916053 /nfs/dbraw/zinc/91/60/53/836916053.db2.gz BBBAPXRMKAQQGN-UHFFFAOYSA-N 2 1 378.495 3.808 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175640835 836923071 /nfs/dbraw/zinc/92/30/71/836923071.db2.gz OLOAPOOKFJGQJB-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000170919892 836946052 /nfs/dbraw/zinc/94/60/52/836946052.db2.gz JXQKHRZKCMXQEI-UHFFFAOYSA-N 2 1 380.536 3.877 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482265 837073358 /nfs/dbraw/zinc/07/33/58/837073358.db2.gz ACKLMGADEZKORT-XUZZJYLKSA-N 2 1 394.559 3.757 20 0 GHADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482265 837073361 /nfs/dbraw/zinc/07/33/61/837073361.db2.gz ACKLMGADEZKORT-XUZZJYLKSA-N 2 1 394.559 3.757 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482265 837073368 /nfs/dbraw/zinc/07/33/68/837073368.db2.gz ACKLMGADEZKORT-XUZZJYLKSA-N 2 1 394.559 3.757 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482265 837073373 /nfs/dbraw/zinc/07/33/73/837073373.db2.gz ACKLMGADEZKORT-XUZZJYLKSA-N 2 1 394.559 3.757 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000472482265 837073379 /nfs/dbraw/zinc/07/33/79/837073379.db2.gz ACKLMGADEZKORT-XUZZJYLKSA-N 2 1 394.559 3.757 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828131 837169217 /nfs/dbraw/zinc/16/92/17/837169217.db2.gz HQJUGZMXOCLZOH-NFBKMPQASA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547828131 837169222 /nfs/dbraw/zinc/16/92/22/837169222.db2.gz HQJUGZMXOCLZOH-NFBKMPQASA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828131 837169230 /nfs/dbraw/zinc/16/92/30/837169230.db2.gz HQJUGZMXOCLZOH-NFBKMPQASA-N 2 1 381.564 3.627 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000659019620 837265896 /nfs/dbraw/zinc/26/58/96/837265896.db2.gz YWQBZMHWVJUBIR-FQEVSTJZSA-N 2 1 378.520 3.569 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000471337705 837289666 /nfs/dbraw/zinc/28/96/66/837289666.db2.gz USBDZYXJHBGDGU-HYBUGGRVSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471337705 837289673 /nfs/dbraw/zinc/28/96/73/837289673.db2.gz USBDZYXJHBGDGU-HYBUGGRVSA-N 2 1 391.559 3.604 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)CC[NH+]1Cc1ccccc1 ZINC000471337705 837289682 /nfs/dbraw/zinc/28/96/82/837289682.db2.gz USBDZYXJHBGDGU-HYBUGGRVSA-N 2 1 391.559 3.604 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000051428532 837958552 /nfs/dbraw/zinc/95/85/52/837958552.db2.gz BSIORTAIGOUGDK-HXUWFJFHSA-N 2 1 379.548 3.769 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCCOc3ccccc3C(F)(F)F)CC2)C1 ZINC000377861132 838082035 /nfs/dbraw/zinc/08/20/35/838082035.db2.gz ODAYFFZRMUZYSL-GOSISDBHSA-N 2 1 399.501 3.576 20 0 GHADMP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000535682368 844301519 /nfs/dbraw/zinc/30/15/19/844301519.db2.gz YLSLKNJPEUADTM-HXUWFJFHSA-N 2 1 395.591 3.764 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415927104 838283915 /nfs/dbraw/zinc/28/39/15/838283915.db2.gz FITKVFZEGHCISV-NRFANRHFSA-N 2 1 380.536 3.830 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(OCC[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415939312 838291169 /nfs/dbraw/zinc/29/11/69/838291169.db2.gz QNMXULTYJJZBON-GHTZIAJQSA-N 2 1 396.535 3.541 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(C4OCCO4)cc3)CC2)cc1 ZINC000166279300 838332225 /nfs/dbraw/zinc/33/22/25/838332225.db2.gz FDBSLOSVVFONBM-UHFFFAOYSA-N 2 1 384.495 3.668 20 0 GHADMP [NH3+][C@@H](CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000659383098 838346330 /nfs/dbraw/zinc/34/63/30/838346330.db2.gz UBRRAQAXXWOGMF-PKTZIBPZSA-N 2 1 391.559 3.885 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415975415 838352870 /nfs/dbraw/zinc/35/28/70/838352870.db2.gz SXTHRXQIARDCIA-GOSISDBHSA-N 2 1 380.536 3.960 20 0 GHADMP CSc1ccc(NC(=O)[C@H](C)N2CC[C@@H](n3cnc4c3CCCC4)C2)cc1 ZINC000548011158 838460846 /nfs/dbraw/zinc/46/08/46/838460846.db2.gz YCBBUKKFQIBSCY-DOTOQJQBSA-N 2 1 384.549 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCc3ccccc3C2)cc1 ZINC000180524849 838602794 /nfs/dbraw/zinc/60/27/94/838602794.db2.gz MWFGKFDOUIXHSL-QZTJIDSGSA-N 2 1 388.515 3.805 20 0 GHADMP C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000580071245 838797337 /nfs/dbraw/zinc/79/73/37/838797337.db2.gz MZBDCOPUHJMUDE-CWKRKGSWSA-N 2 1 383.580 3.525 20 0 GHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468557152 839040697 /nfs/dbraw/zinc/04/06/97/839040697.db2.gz XSCWSSIUBQHSEH-OXQOHEQNSA-N 2 1 378.969 3.949 20 0 GHADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468557152 839040708 /nfs/dbraw/zinc/04/07/08/839040708.db2.gz XSCWSSIUBQHSEH-OXQOHEQNSA-N 2 1 378.969 3.949 20 0 GHADMP CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000892778294 839071719 /nfs/dbraw/zinc/07/17/19/839071719.db2.gz JOBBLYMIMOQAGJ-ZYJGPIPZSA-N 2 1 398.595 3.999 20 0 GHADMP CCCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000892778294 839071727 /nfs/dbraw/zinc/07/17/27/839071727.db2.gz JOBBLYMIMOQAGJ-ZYJGPIPZSA-N 2 1 398.595 3.999 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC000580256183 839135729 /nfs/dbraw/zinc/13/57/29/839135729.db2.gz YPEYELHYPGVARK-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2Cc3ccccc3C[C@@H]2C)CC1 ZINC000580256183 839135736 /nfs/dbraw/zinc/13/57/36/839135736.db2.gz YPEYELHYPGVARK-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000580304702 839215503 /nfs/dbraw/zinc/21/55/03/839215503.db2.gz TWWQZSTWDSDITP-UPVQGACJSA-N 2 1 382.548 3.536 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Cl)ccc3Br)CC2)C1 ZINC000415126528 839233236 /nfs/dbraw/zinc/23/32/36/839233236.db2.gz PLXPWLYDBGMIFL-WBVHZDCISA-N 2 1 387.749 3.821 20 0 GHADMP C[N@@H+](CCCO)C1CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC001167398844 839545550 /nfs/dbraw/zinc/54/55/50/839545550.db2.gz ZDOIOQGXJHMXSN-UHFFFAOYSA-N 2 1 388.474 3.643 20 0 GHADMP C[N@@H+](CCCO)C1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC001167398844 839545569 /nfs/dbraw/zinc/54/55/69/839545569.db2.gz ZDOIOQGXJHMXSN-UHFFFAOYSA-N 2 1 388.474 3.643 20 0 GHADMP Cc1noc(C2CCC([NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)n1 ZINC000580612164 839896777 /nfs/dbraw/zinc/89/67/77/839896777.db2.gz VDDUKMWSBKLOPD-RGMRCXJASA-N 2 1 398.551 3.803 20 0 GHADMP C[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698740 839984650 /nfs/dbraw/zinc/98/46/50/839984650.db2.gz KUCGMHIILBZOLP-GOSISDBHSA-N 2 1 388.556 3.629 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512550738 844504147 /nfs/dbraw/zinc/50/41/47/844504147.db2.gz LQQLTFAXLYYZIN-PZJWPPBQSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512550738 844504151 /nfs/dbraw/zinc/50/41/51/844504151.db2.gz LQQLTFAXLYYZIN-PZJWPPBQSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512550739 844505424 /nfs/dbraw/zinc/50/54/24/844505424.db2.gz LQQLTFAXLYYZIN-TZIWHRDSSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512550739 844505440 /nfs/dbraw/zinc/50/54/40/844505440.db2.gz LQQLTFAXLYYZIN-TZIWHRDSSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000511582926 840144620 /nfs/dbraw/zinc/14/46/20/840144620.db2.gz VCZNMPMMAUJZEU-VWLOTQADSA-N 2 1 391.559 3.623 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)CC1 ZINC000511582926 840144624 /nfs/dbraw/zinc/14/46/24/840144624.db2.gz VCZNMPMMAUJZEU-VWLOTQADSA-N 2 1 391.559 3.623 20 0 GHADMP C[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000759859378 840230188 /nfs/dbraw/zinc/23/01/88/840230188.db2.gz ROEXTKJCKTUJHU-DYESRHJHSA-N 2 1 376.903 3.966 20 0 GHADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000759859378 840230199 /nfs/dbraw/zinc/23/01/99/840230199.db2.gz ROEXTKJCKTUJHU-DYESRHJHSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000759859378 840230209 /nfs/dbraw/zinc/23/02/09/840230209.db2.gz ROEXTKJCKTUJHU-DYESRHJHSA-N 2 1 376.903 3.966 20 0 GHADMP C[NH+](C[C@@H](O)c1ccc(Cl)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000759859378 840230219 /nfs/dbraw/zinc/23/02/19/840230219.db2.gz ROEXTKJCKTUJHU-DYESRHJHSA-N 2 1 376.903 3.966 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000418463248 840273413 /nfs/dbraw/zinc/27/34/13/840273413.db2.gz OEAXSTTXVBADAF-IBGZPJMESA-N 2 1 394.563 3.760 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000416976649 840321217 /nfs/dbraw/zinc/32/12/17/840321217.db2.gz OTDXAZMRSRLQTG-XXBNENTESA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000416970580 840327530 /nfs/dbraw/zinc/32/75/30/840327530.db2.gz FHEJWRBLRWOKFE-PGRDOPGGSA-N 2 1 380.536 3.560 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500142 840327802 /nfs/dbraw/zinc/32/78/02/840327802.db2.gz NXSXGVLLPNTJBY-QFIPXVFZSA-N 2 1 394.519 3.596 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000416975113 840331400 /nfs/dbraw/zinc/33/14/00/840331400.db2.gz MIPMUGLTACQBBO-AUSIDOKSSA-N 2 1 398.595 3.735 20 0 GHADMP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1 ZINC000614090995 844536558 /nfs/dbraw/zinc/53/65/58/844536558.db2.gz BPTJRCFCZHDLEB-DHIUTWEWSA-N 2 1 395.522 3.577 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1 ZINC000614090995 844536569 /nfs/dbraw/zinc/53/65/69/844536569.db2.gz BPTJRCFCZHDLEB-DHIUTWEWSA-N 2 1 395.522 3.577 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C/C=C\c2ccc(F)c(F)c2)c2cccs2)CC1 ZINC000581027493 840603685 /nfs/dbraw/zinc/60/36/85/840603685.db2.gz SQTHSYDKJAQHIS-GHMGLMHVSA-N 2 1 377.504 3.618 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000417221431 840614560 /nfs/dbraw/zinc/61/45/60/840614560.db2.gz OSLXQXKVJAGWQZ-RTBURBONSA-N 2 1 386.584 3.638 20 0 GHADMP Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001167443547 840620498 /nfs/dbraw/zinc/62/04/98/840620498.db2.gz XETCCTHPNGJGPN-KRWDZBQOSA-N 2 1 385.321 3.917 20 0 GHADMP Fc1cc(Br)cc(OCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC001167443547 840620505 /nfs/dbraw/zinc/62/05/05/840620505.db2.gz XETCCTHPNGJGPN-KRWDZBQOSA-N 2 1 385.321 3.917 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)N2CCOc3ccccc32)cc1 ZINC000584796223 840898774 /nfs/dbraw/zinc/89/87/74/840898774.db2.gz ZDGDPFLAYHQPTN-KRWDZBQOSA-N 2 1 390.487 3.647 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675302 841087769 /nfs/dbraw/zinc/08/77/69/841087769.db2.gz HYMTVSBCIWVJHC-HXUWFJFHSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000660676498 841089806 /nfs/dbraw/zinc/08/98/06/841089806.db2.gz RXVMKUSKTIQICT-DENIHFKCSA-N 2 1 398.595 3.918 20 0 GHADMP CN(Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660732961 841141849 /nfs/dbraw/zinc/14/18/49/841141849.db2.gz HWXKDLALXMEMNB-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000660732961 841141852 /nfs/dbraw/zinc/14/18/52/841141852.db2.gz HWXKDLALXMEMNB-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000660732961 841141855 /nfs/dbraw/zinc/14/18/55/841141855.db2.gz HWXKDLALXMEMNB-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660732961 841141858 /nfs/dbraw/zinc/14/18/58/841141858.db2.gz HWXKDLALXMEMNB-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660732961 841141861 /nfs/dbraw/zinc/14/18/61/841141861.db2.gz HWXKDLALXMEMNB-HXUWFJFHSA-N 2 1 398.551 3.584 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000417839239 841218421 /nfs/dbraw/zinc/21/84/21/841218421.db2.gz NNMCBSBGQOMXEF-FGSXEWAUSA-N 2 1 380.536 3.559 20 0 GHADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC001167458148 841258396 /nfs/dbraw/zinc/25/83/96/841258396.db2.gz QMQJPRCXTAQEBC-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@H](C)[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001167458148 841258406 /nfs/dbraw/zinc/25/84/06/841258406.db2.gz QMQJPRCXTAQEBC-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP CC[C@H](C)[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001167458148 841258415 /nfs/dbraw/zinc/25/84/15/841258415.db2.gz QMQJPRCXTAQEBC-GMAHTHKFSA-N 2 1 385.596 3.930 20 0 GHADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417991751 841361126 /nfs/dbraw/zinc/36/11/26/841361126.db2.gz LLOHHCZPVRWDOE-FSPWUOQZSA-N 2 1 398.954 3.820 20 0 GHADMP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417991751 841361132 /nfs/dbraw/zinc/36/11/32/841361132.db2.gz LLOHHCZPVRWDOE-FSPWUOQZSA-N 2 1 398.954 3.820 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000500152299 841526259 /nfs/dbraw/zinc/52/62/59/841526259.db2.gz CPQHSUXQUCOHIZ-ONTIZHBOSA-N 2 1 388.600 3.653 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000177723582 861214860 /nfs/dbraw/zinc/21/48/60/861214860.db2.gz BPKPRDHVNGKROO-HXUWFJFHSA-N 2 1 379.976 3.566 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)CC1 ZINC000574889156 841792170 /nfs/dbraw/zinc/79/21/70/841792170.db2.gz RTSLISDFIQPHSG-UHFFFAOYSA-N 2 1 386.584 3.504 20 0 GHADMP Cn1c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000656784441 841920830 /nfs/dbraw/zinc/92/08/30/841920830.db2.gz AZMIPJZZOZVQKU-OAHLLOKOSA-N 2 1 380.458 3.804 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418384952 841921046 /nfs/dbraw/zinc/92/10/46/841921046.db2.gz OZGYOAFZARHDDC-STZQEDGTSA-N 2 1 386.584 3.589 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000625814535 842008473 /nfs/dbraw/zinc/00/84/73/842008473.db2.gz WYOSEIFHJMRFLE-CTNGQTDRSA-N 2 1 389.971 3.543 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000625814535 842008485 /nfs/dbraw/zinc/00/84/85/842008485.db2.gz WYOSEIFHJMRFLE-CTNGQTDRSA-N 2 1 389.971 3.543 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000652172796 842047439 /nfs/dbraw/zinc/04/74/39/842047439.db2.gz LLKXDSDGFLRSRK-CTNGQTDRSA-N 2 1 394.563 3.506 20 0 GHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)sc1Br ZINC000511997328 842073285 /nfs/dbraw/zinc/07/32/85/842073285.db2.gz RRMNFUONJPBQGF-AEGPPILISA-N 2 1 387.387 3.847 20 0 GHADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)sc1Br ZINC000511997331 842073403 /nfs/dbraw/zinc/07/34/03/842073403.db2.gz RRMNFUONJPBQGF-QEJZJMRPSA-N 2 1 387.387 3.847 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001167828461 842117479 /nfs/dbraw/zinc/11/74/79/842117479.db2.gz YUTJJRCTMZPRSI-BDKRGJGYSA-N 2 1 375.557 3.593 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001167828467 842117678 /nfs/dbraw/zinc/11/76/78/842117678.db2.gz YUTJJRCTMZPRSI-ZHHKINOHSA-N 2 1 375.557 3.593 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(CC(C)C)CCCC3)CC2)CC1 ZINC000581735457 842118034 /nfs/dbraw/zinc/11/80/34/842118034.db2.gz QMAUKVXEIVVZAY-UHFFFAOYSA-N 2 1 377.617 3.905 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(Br)c2)CCCO1 ZINC000432355633 842146834 /nfs/dbraw/zinc/14/68/34/842146834.db2.gz FVSMKTHVMPSULT-ZDUSSCGKSA-N 2 1 375.738 3.693 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000909378084 842188053 /nfs/dbraw/zinc/18/80/53/842188053.db2.gz CEFQFYKGXOCJDN-KRWDZBQOSA-N 2 1 379.932 3.624 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000909378084 842188056 /nfs/dbraw/zinc/18/80/56/842188056.db2.gz CEFQFYKGXOCJDN-KRWDZBQOSA-N 2 1 379.932 3.624 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)C1 ZINC000652349271 842328591 /nfs/dbraw/zinc/32/85/91/842328591.db2.gz IXOVPVKFALYWCW-LBTNJELSSA-N 2 1 393.503 3.807 20 0 GHADMP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)([NH+](C)C)C1 ZINC000432410015 842406264 /nfs/dbraw/zinc/40/62/64/842406264.db2.gz LAUJLPNRZOCCEN-YKTARERQSA-N 2 1 391.522 3.522 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(F)c(Cl)c2Cl)C1 ZINC000432257258 842413151 /nfs/dbraw/zinc/41/31/51/842413151.db2.gz GNIHOTFYAVKREM-MRXNPFEDSA-N 2 1 383.294 3.989 20 0 GHADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000430678826 842457365 /nfs/dbraw/zinc/45/73/65/842457365.db2.gz OCBSLDSDGHGKRW-SFHVURJKSA-N 2 1 389.559 3.584 20 0 GHADMP CCc1ccc(CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430679085 842457564 /nfs/dbraw/zinc/45/75/64/842457564.db2.gz LHGJMSGOXVIWJC-UHFFFAOYSA-N 2 1 399.623 3.836 20 0 GHADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(Br)c(C)nn2C)cc1 ZINC000279119202 842608374 /nfs/dbraw/zinc/60/83/74/842608374.db2.gz LLFBDDWKSLAAER-UHFFFAOYSA-N 2 1 379.346 3.623 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162146 842648474 /nfs/dbraw/zinc/64/84/74/842648474.db2.gz LTRRWVXPDCIJEY-RTWAWAEBSA-N 2 1 397.950 3.523 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000648162146 842648481 /nfs/dbraw/zinc/64/84/81/842648481.db2.gz LTRRWVXPDCIJEY-RTWAWAEBSA-N 2 1 397.950 3.523 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000247237566 842657820 /nfs/dbraw/zinc/65/78/20/842657820.db2.gz YZMJBJGRRXHBEM-BVYCBKJFSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000247237566 842657829 /nfs/dbraw/zinc/65/78/29/842657829.db2.gz YZMJBJGRRXHBEM-BVYCBKJFSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000247237566 842657842 /nfs/dbraw/zinc/65/78/42/842657842.db2.gz YZMJBJGRRXHBEM-BVYCBKJFSA-N 2 1 386.511 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC[NH+]1Cc1ccccc1 ZINC000247237566 842657851 /nfs/dbraw/zinc/65/78/51/842657851.db2.gz YZMJBJGRRXHBEM-BVYCBKJFSA-N 2 1 386.511 3.550 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000248394535 842690838 /nfs/dbraw/zinc/69/08/38/842690838.db2.gz XWVLGAJDOYMONF-RBUKOAKNSA-N 2 1 395.950 3.851 20 0 GHADMP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000248394535 842690848 /nfs/dbraw/zinc/69/08/48/842690848.db2.gz XWVLGAJDOYMONF-RBUKOAKNSA-N 2 1 395.950 3.851 20 0 GHADMP CCCn1c2ccccc2nc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512179677 842773608 /nfs/dbraw/zinc/77/36/08/842773608.db2.gz MMHQMBRJTLESLJ-KDURUIRLSA-N 2 1 384.568 3.768 20 0 GHADMP CCCn1c2ccccc2nc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512179677 842773615 /nfs/dbraw/zinc/77/36/15/842773615.db2.gz MMHQMBRJTLESLJ-KDURUIRLSA-N 2 1 384.568 3.768 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1Cl ZINC000606624127 842817559 /nfs/dbraw/zinc/81/75/59/842817559.db2.gz WKDIMTVFSIGUQD-HXUWFJFHSA-N 2 1 392.975 3.603 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1Cl ZINC000606624127 842817563 /nfs/dbraw/zinc/81/75/63/842817563.db2.gz WKDIMTVFSIGUQD-HXUWFJFHSA-N 2 1 392.975 3.603 20 0 GHADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000606635720 842826958 /nfs/dbraw/zinc/82/69/58/842826958.db2.gz UTJASUCOUJQVTI-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000606635720 842826960 /nfs/dbraw/zinc/82/69/60/842826960.db2.gz UTJASUCOUJQVTI-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000606635720 842826965 /nfs/dbraw/zinc/82/69/65/842826965.db2.gz UTJASUCOUJQVTI-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000188350527 842901609 /nfs/dbraw/zinc/90/16/09/842901609.db2.gz BNMRQEIKVJVZEG-QHCPKHFHSA-N 2 1 395.547 3.758 20 0 GHADMP CC[NH+](CC)Cc1ccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000188350527 842901620 /nfs/dbraw/zinc/90/16/20/842901620.db2.gz BNMRQEIKVJVZEG-QHCPKHFHSA-N 2 1 395.547 3.758 20 0 GHADMP C[C@@H](NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000510545527 842936979 /nfs/dbraw/zinc/93/69/79/842936979.db2.gz HDZFDCNFLGXGJJ-WCIQWLHISA-N 2 1 392.632 3.695 20 0 GHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510545527 842936987 /nfs/dbraw/zinc/93/69/87/842936987.db2.gz HDZFDCNFLGXGJJ-WCIQWLHISA-N 2 1 392.632 3.695 20 0 GHADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510545527 842937000 /nfs/dbraw/zinc/93/70/00/842937000.db2.gz HDZFDCNFLGXGJJ-WCIQWLHISA-N 2 1 392.632 3.695 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000471864701 843025634 /nfs/dbraw/zinc/02/56/34/843025634.db2.gz IRSXFDNZDBTKOO-ICSRJNTNSA-N 2 1 393.560 3.772 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000471864701 843025639 /nfs/dbraw/zinc/02/56/39/843025639.db2.gz IRSXFDNZDBTKOO-ICSRJNTNSA-N 2 1 393.560 3.772 20 0 GHADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccc5c4CC[NH2+]C5)C3)n2)c1 ZINC000662255720 843026494 /nfs/dbraw/zinc/02/64/94/843026494.db2.gz CROLPLGZHZJMFA-LJQANCHMSA-N 2 1 392.478 3.901 20 0 GHADMP c1csc(C[N@@H+](CCc2nsc3ccccc32)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000662269459 843045904 /nfs/dbraw/zinc/04/59/04/843045904.db2.gz DTCYUGYZVOTAJW-SFHVURJKSA-N 2 1 384.574 3.940 20 0 GHADMP c1csc(C[N@H+](CCc2nsc3ccccc32)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000662269459 843045909 /nfs/dbraw/zinc/04/59/09/843045909.db2.gz DTCYUGYZVOTAJW-SFHVURJKSA-N 2 1 384.574 3.940 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000662295106 843086689 /nfs/dbraw/zinc/08/66/89/843086689.db2.gz FFJPXUIVCNGBHZ-ZWOKBUDYSA-N 2 1 383.536 3.710 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccccc1Cl ZINC000662343338 843153316 /nfs/dbraw/zinc/15/33/16/843153316.db2.gz OSFBIZBVRFPUHE-DYESRHJHSA-N 2 1 385.939 3.751 20 0 GHADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000662328016 843156034 /nfs/dbraw/zinc/15/60/34/843156034.db2.gz XOVKDMKWXNLWDG-UHFFFAOYSA-N 2 1 375.520 3.805 20 0 GHADMP CCN(CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241869 843193655 /nfs/dbraw/zinc/19/36/55/843193655.db2.gz HQVXUZQMLJPFMN-FQEVSTJZSA-N 2 1 383.502 3.859 20 0 GHADMP CCN(CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241869 843193659 /nfs/dbraw/zinc/19/36/59/843193659.db2.gz HQVXUZQMLJPFMN-FQEVSTJZSA-N 2 1 383.502 3.859 20 0 GHADMP CCN(CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)CC(F)(F)F ZINC000512241869 843193661 /nfs/dbraw/zinc/19/36/61/843193661.db2.gz HQVXUZQMLJPFMN-FQEVSTJZSA-N 2 1 383.502 3.859 20 0 GHADMP O[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188603951 843202809 /nfs/dbraw/zinc/20/28/09/843202809.db2.gz UWPMHGTWBORUHE-ICSRJNTNSA-N 2 1 384.486 3.767 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc3ccc(C)cc3s2)CC1 ZINC000512262831 843254993 /nfs/dbraw/zinc/25/49/93/843254993.db2.gz RXLQNNYSGLEXJI-UHFFFAOYSA-N 2 1 388.581 3.987 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc3ccc(C)cc3s2)CC1 ZINC000512262831 843255006 /nfs/dbraw/zinc/25/50/06/843255006.db2.gz RXLQNNYSGLEXJI-UHFFFAOYSA-N 2 1 388.581 3.987 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OCC(F)(F)F ZINC000663346723 843262645 /nfs/dbraw/zinc/26/26/45/843262645.db2.gz DFSAAYGNVKJWEM-QGZVFWFLSA-N 2 1 386.458 3.848 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000512266203 843267634 /nfs/dbraw/zinc/26/76/34/843267634.db2.gz DRXBYMQXWYFHRH-UHFFFAOYSA-N 2 1 392.544 3.818 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000512266203 843267640 /nfs/dbraw/zinc/26/76/40/843267640.db2.gz DRXBYMQXWYFHRH-UHFFFAOYSA-N 2 1 392.544 3.818 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1OCc1ccncc1 ZINC000663347251 843268501 /nfs/dbraw/zinc/26/85/01/843268501.db2.gz IBSJVQOKKDRISM-QFIPXVFZSA-N 2 1 395.547 3.881 20 0 GHADMP COc1ccc(OCc2ccccn2)c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347533 843271545 /nfs/dbraw/zinc/27/15/45/843271545.db2.gz NSDBRWTWMWHAGK-FQEVSTJZSA-N 2 1 395.547 3.881 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347533 843271549 /nfs/dbraw/zinc/27/15/49/843271549.db2.gz NSDBRWTWMWHAGK-FQEVSTJZSA-N 2 1 395.547 3.881 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347533 843271557 /nfs/dbraw/zinc/27/15/57/843271557.db2.gz NSDBRWTWMWHAGK-FQEVSTJZSA-N 2 1 395.547 3.881 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000178705754 861399892 /nfs/dbraw/zinc/39/98/92/861399892.db2.gz KNQWRFIKRCVZOX-KBPBESRZSA-N 2 1 393.329 3.597 20 0 GHADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000510740273 843387130 /nfs/dbraw/zinc/38/71/30/843387130.db2.gz YQGXNIKRUAZFNH-QGZVFWFLSA-N 2 1 385.518 3.890 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432669199 843392423 /nfs/dbraw/zinc/39/24/23/843392423.db2.gz OYVOTUYZBGRIBB-UTKZUKDTSA-N 2 1 395.572 3.670 20 0 GHADMP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432669199 843392431 /nfs/dbraw/zinc/39/24/31/843392431.db2.gz OYVOTUYZBGRIBB-UTKZUKDTSA-N 2 1 395.572 3.670 20 0 GHADMP CCN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418662840 843510913 /nfs/dbraw/zinc/51/09/13/843510913.db2.gz FJVBMBXVFCRKAX-VMBXEPDQSA-N 2 1 386.584 3.619 20 0 GHADMP CC(C)CN(CC[NH+](C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512397635 843655896 /nfs/dbraw/zinc/65/58/96/843655896.db2.gz GXDZCFNAILBWLD-RBBKRZOGSA-N 2 1 388.600 3.516 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000673708201 861451586 /nfs/dbraw/zinc/45/15/86/861451586.db2.gz TWUXLCCLXALKGZ-UHFFFAOYSA-N 2 1 388.600 3.721 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CNc3cccc4c3OCC[C@@H]4[NH+](C)C)sc2C1 ZINC000433203133 843827528 /nfs/dbraw/zinc/82/75/28/843827528.db2.gz AMFKRYUXDHNALT-SFHVURJKSA-N 2 1 386.565 3.907 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000512832466 843828639 /nfs/dbraw/zinc/82/86/39/843828639.db2.gz HZDZODGPZGIVJB-UKRRQHHQSA-N 2 1 384.364 3.990 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282434145 861463294 /nfs/dbraw/zinc/46/32/94/861463294.db2.gz HOJLHNMYLKPNJN-KIFXHHALSA-N 2 1 391.559 3.649 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](Cc4ccc5ncccc5c4)CC3)C2)cc1 ZINC000512455132 843855926 /nfs/dbraw/zinc/85/59/26/843855926.db2.gz ANTOLSLADZMUEZ-DEOSSOPVSA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](Cc4ccc5ncccc5c4)CC3)C2)cc1 ZINC000512455132 843855930 /nfs/dbraw/zinc/85/59/30/843855930.db2.gz ANTOLSLADZMUEZ-DEOSSOPVSA-N 2 1 386.543 3.627 20 0 GHADMP Cc1ccc(C)c(OCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512455870 843857750 /nfs/dbraw/zinc/85/77/50/843857750.db2.gz JLFHERWARKAISM-XMMPIXPASA-N 2 1 393.575 3.574 20 0 GHADMP Cc1ccc(C)c(OCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512455870 843857758 /nfs/dbraw/zinc/85/77/58/843857758.db2.gz JLFHERWARKAISM-XMMPIXPASA-N 2 1 393.575 3.574 20 0 GHADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1OCc1c(C)noc1C ZINC000237213063 843919437 /nfs/dbraw/zinc/91/94/37/843919437.db2.gz OAGXDNRTSFHKRX-OAHLLOKOSA-N 2 1 398.507 3.810 20 0 GHADMP CC(C)CSCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512474335 843936847 /nfs/dbraw/zinc/93/68/47/843936847.db2.gz JJFYDFXXMHVHAZ-QFIPXVFZSA-N 2 1 375.626 3.658 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000237866103 843983633 /nfs/dbraw/zinc/98/36/33/843983633.db2.gz VOKODFLEKZJETC-HUUCEWRRSA-N 2 1 384.351 3.592 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccc(F)cc2)CC1 ZINC000728926473 843997283 /nfs/dbraw/zinc/99/72/83/843997283.db2.gz NAGYTYQXRFNYBI-UHFFFAOYSA-N 2 1 397.538 3.693 20 0 GHADMP [NH3+][C@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000238038814 843999982 /nfs/dbraw/zinc/99/99/82/843999982.db2.gz VOKODFLEKZJETC-GJZGRUSLSA-N 2 1 384.351 3.592 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000536235458 844006820 /nfs/dbraw/zinc/00/68/20/844006820.db2.gz WYWFXOWXGSORKJ-FCHUYYIVSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536235458 844006826 /nfs/dbraw/zinc/00/68/26/844006826.db2.gz WYWFXOWXGSORKJ-FCHUYYIVSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000536235458 844006832 /nfs/dbraw/zinc/00/68/32/844006832.db2.gz WYWFXOWXGSORKJ-FCHUYYIVSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)(C)C ZINC000522479844 861486671 /nfs/dbraw/zinc/48/66/71/861486671.db2.gz QMPLSMIQOMROMM-QUCCMNQESA-N 2 1 377.548 3.520 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000512630614 844837842 /nfs/dbraw/zinc/83/78/42/844837842.db2.gz NRPIFZKYLVTEOT-WXFUMESZSA-N 2 1 391.559 3.779 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](Cc3ccccc3)[C@@H](O)C(F)F)CC2)C1 ZINC000513204489 845046477 /nfs/dbraw/zinc/04/64/77/845046477.db2.gz RVHJNJKBVKWRLP-MBPVOVBZSA-N 2 1 380.523 3.856 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccnc(OC4CCOCC4)c3)CC2)C1 ZINC000513214538 845059720 /nfs/dbraw/zinc/05/97/20/845059720.db2.gz YTNHEMLQOHJDPV-NQIIRXRSSA-N 2 1 387.568 3.772 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000512713205 845151497 /nfs/dbraw/zinc/15/14/97/845151497.db2.gz XWJCNHQVVDLIQN-IIZPIQPGSA-N 2 1 392.632 3.839 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC23CCC[NH+]2CCC3)c1 ZINC000614225593 845318583 /nfs/dbraw/zinc/31/85/83/845318583.db2.gz BVIUXQOPMYTDHC-UHFFFAOYSA-N 2 1 377.532 3.677 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000179391984 861560777 /nfs/dbraw/zinc/56/07/77/861560777.db2.gz DGKYERZVVRCLNJ-SFHVURJKSA-N 2 1 396.535 3.656 20 0 GHADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513406113 845379552 /nfs/dbraw/zinc/37/95/52/845379552.db2.gz NAGPLEHGJNXBCP-SFHVURJKSA-N 2 1 396.535 3.893 20 0 GHADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000513406113 845379569 /nfs/dbraw/zinc/37/95/69/845379569.db2.gz NAGPLEHGJNXBCP-SFHVURJKSA-N 2 1 396.535 3.893 20 0 GHADMP O=C1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]2N1C1CC1 ZINC000411397710 845385141 /nfs/dbraw/zinc/38/51/41/845385141.db2.gz MOBCNEFKSMXVCQ-JTHBVZDNSA-N 2 1 381.564 3.648 20 0 GHADMP COC(=O)C1(c2ccc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2)CC1 ZINC001167503480 845519776 /nfs/dbraw/zinc/51/97/76/845519776.db2.gz ABAYQFZILDUICX-JOCHJYFZSA-N 2 1 392.543 3.845 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001167503480 845519791 /nfs/dbraw/zinc/51/97/91/845519791.db2.gz ABAYQFZILDUICX-JOCHJYFZSA-N 2 1 392.543 3.845 20 0 GHADMP COC(=O)C1(c2ccc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001167503480 845519801 /nfs/dbraw/zinc/51/98/01/845519801.db2.gz ABAYQFZILDUICX-JOCHJYFZSA-N 2 1 392.543 3.845 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2nccn2CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000513505292 845541844 /nfs/dbraw/zinc/54/18/44/845541844.db2.gz JEWMUYOCGIQYIJ-WMZOPIPTSA-N 2 1 380.458 3.836 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)c2)CCO1 ZINC000168162697 845544115 /nfs/dbraw/zinc/54/41/15/845544115.db2.gz UHFDYFLWJDUBDD-HNNXBMFYSA-N 2 1 394.437 3.938 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)c2)CCO1 ZINC000168162697 845544127 /nfs/dbraw/zinc/54/41/27/845544127.db2.gz UHFDYFLWJDUBDD-HNNXBMFYSA-N 2 1 394.437 3.938 20 0 GHADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000481541749 861638241 /nfs/dbraw/zinc/63/82/41/861638241.db2.gz KPWKDILHLVFFIA-ZJZGAYNASA-N 2 1 388.596 3.652 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(-c4ccncc4)c3)CC2)CC1 ZINC000421380914 846197806 /nfs/dbraw/zinc/19/78/06/846197806.db2.gz WLWFHBRTKBMACM-UHFFFAOYSA-N 2 1 378.564 3.741 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC[N@@H+]1Cc1ccccc1 ZINC000548673341 846305101 /nfs/dbraw/zinc/30/51/01/846305101.db2.gz JVUXJWFJDHVHBW-DVWBAYGPSA-N 2 1 396.535 3.810 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC[N@H+]1Cc1ccccc1 ZINC000548673341 846305113 /nfs/dbraw/zinc/30/51/13/846305113.db2.gz JVUXJWFJDHVHBW-DVWBAYGPSA-N 2 1 396.535 3.810 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000502709138 846382130 /nfs/dbraw/zinc/38/21/30/846382130.db2.gz UPTRXAFZPCWSED-HXUWFJFHSA-N 2 1 395.595 3.987 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000502768926 846450379 /nfs/dbraw/zinc/45/03/79/846450379.db2.gz SLMHMOMGKMMPRM-OOMBGRCJSA-N 2 1 398.595 3.603 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000502788048 846465806 /nfs/dbraw/zinc/46/58/06/846465806.db2.gz GAVKQNCXPYNKAJ-XPPIMPSXSA-N 2 1 398.595 3.728 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)CC2)CC1 ZINC000502788048 846465812 /nfs/dbraw/zinc/46/58/12/846465812.db2.gz GAVKQNCXPYNKAJ-XPPIMPSXSA-N 2 1 398.595 3.728 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000216525523 846473235 /nfs/dbraw/zinc/47/32/35/846473235.db2.gz WEYYTRISEFYATQ-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000216525523 846473238 /nfs/dbraw/zinc/47/32/38/846473238.db2.gz WEYYTRISEFYATQ-LJQANCHMSA-N 2 1 393.453 3.556 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000502838076 846508527 /nfs/dbraw/zinc/50/85/27/846508527.db2.gz CKHWKTPHEGZZNY-SIKLNZKXSA-N 2 1 388.600 3.806 20 0 GHADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc2c1OCCO2 ZINC000513755864 846531825 /nfs/dbraw/zinc/53/18/25/846531825.db2.gz UQVIEJZTDZPWRO-UHFFFAOYSA-N 2 1 396.531 3.810 20 0 GHADMP Cc1cc(Br)cc2c1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000501007777 846537188 /nfs/dbraw/zinc/53/71/88/846537188.db2.gz MSROEKYOVVOYIK-UHFFFAOYSA-N 2 1 394.401 3.532 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501160966 846692035 /nfs/dbraw/zinc/69/20/35/846692035.db2.gz DBJJERWJRDQKSU-ZHALLVOQSA-N 2 1 380.602 3.551 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000422007654 846747003 /nfs/dbraw/zinc/74/70/03/846747003.db2.gz NZQIIKGHRVJURV-UHFFFAOYSA-N 2 1 399.623 3.935 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271750316 846909890 /nfs/dbraw/zinc/90/98/90/846909890.db2.gz KLPQVAWNPSXXAI-INIZCTEOSA-N 2 1 380.467 3.863 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000501490700 846952911 /nfs/dbraw/zinc/95/29/11/846952911.db2.gz KEYPBOGQZFTENR-RTBURBONSA-N 2 1 394.629 3.722 20 0 GHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501495338 846964224 /nfs/dbraw/zinc/96/42/24/846964224.db2.gz NXTOXRSYDFLRGM-WSTZPKSXSA-N 2 1 397.588 3.838 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCCCC1 ZINC000501560799 847021658 /nfs/dbraw/zinc/02/16/58/847021658.db2.gz IWBYEKJUKNLEBU-HXUWFJFHSA-N 2 1 390.572 3.760 20 0 GHADMP C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272308781 847043635 /nfs/dbraw/zinc/04/36/35/847043635.db2.gz ILRVMVIPLJGMOK-NFBKMPQASA-N 2 1 378.564 3.546 20 0 GHADMP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272613607 847125537 /nfs/dbraw/zinc/12/55/37/847125537.db2.gz WVAWKBQMGYFEEH-HKUYNNGSSA-N 2 1 383.502 3.903 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000272905241 847204703 /nfs/dbraw/zinc/20/47/03/847204703.db2.gz QIWAFSHOTNHKMP-XLIONFOSSA-N 2 1 393.597 3.687 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(SC(=O)N(C)C)c2)[C@H](C)C1 ZINC000272905241 847204713 /nfs/dbraw/zinc/20/47/13/847204713.db2.gz QIWAFSHOTNHKMP-XLIONFOSSA-N 2 1 393.597 3.687 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000501826596 847215335 /nfs/dbraw/zinc/21/53/35/847215335.db2.gz KAWHMNJKSILNRO-TWWGPRNNSA-N 2 1 386.584 3.630 20 0 GHADMP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000126370812 847420890 /nfs/dbraw/zinc/42/08/90/847420890.db2.gz WVCBPQKHIXDFNS-JXFKEZNVSA-N 2 1 391.556 3.521 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(OC)c(OC)c1 ZINC000420901661 847521222 /nfs/dbraw/zinc/52/12/22/847521222.db2.gz LNZOSIITIYYDFG-UHFFFAOYSA-N 2 1 384.520 3.558 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(OC)c(OC)c1 ZINC000420901661 847521225 /nfs/dbraw/zinc/52/12/25/847521225.db2.gz LNZOSIITIYYDFG-UHFFFAOYSA-N 2 1 384.520 3.558 20 0 GHADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903528 847521978 /nfs/dbraw/zinc/52/19/78/847521978.db2.gz ATZMHGQGFGOCHF-XUZZJYLKSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903528 847521982 /nfs/dbraw/zinc/52/19/82/847521982.db2.gz ATZMHGQGFGOCHF-XUZZJYLKSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903528 847521990 /nfs/dbraw/zinc/52/19/90/847521990.db2.gz ATZMHGQGFGOCHF-XUZZJYLKSA-N 2 1 385.596 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420903528 847521998 /nfs/dbraw/zinc/52/19/98/847521998.db2.gz ATZMHGQGFGOCHF-XUZZJYLKSA-N 2 1 385.596 3.605 20 0 GHADMP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420925074 847545383 /nfs/dbraw/zinc/54/53/83/847545383.db2.gz VJHOBHGWPCWCEQ-YADHBBJMSA-N 2 1 386.923 3.792 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(-n2ccnc2)c1 ZINC000420930595 847551018 /nfs/dbraw/zinc/55/10/18/847551018.db2.gz FRPQEFXVNFDICK-IBGZPJMESA-N 2 1 376.504 3.555 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(-n2cccn2)c1 ZINC000420935346 847554066 /nfs/dbraw/zinc/55/40/66/847554066.db2.gz JUNDEFTUPJWUQO-LJQANCHMSA-N 2 1 376.504 3.555 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCCn3cc[nH+]c3C)c2)cc1 ZINC000048750375 847700149 /nfs/dbraw/zinc/70/01/49/847700149.db2.gz OFMGZVNEKHSSNL-UHFFFAOYSA-N 2 1 378.476 3.632 20 0 GHADMP O=C1[C@@H](N2CCC[C@@H](c3ncc4n3CCCC4)C2)CCCN1c1cccc(F)c1 ZINC000503441944 847707987 /nfs/dbraw/zinc/70/79/87/847707987.db2.gz PGORQKCDMUTVRY-UTKZUKDTSA-N 2 1 396.510 3.734 20 0 GHADMP COc1ccc([C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422851900 847855016 /nfs/dbraw/zinc/85/50/16/847855016.db2.gz XMESBZYVWAKNMX-DHIUTWEWSA-N 2 1 380.532 3.826 20 0 GHADMP Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000422885471 847871038 /nfs/dbraw/zinc/87/10/38/847871038.db2.gz YVFQQGGNKWTTBX-NHCUHLMSSA-N 2 1 381.520 3.762 20 0 GHADMP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422873986 847876123 /nfs/dbraw/zinc/87/61/23/847876123.db2.gz MWRSAKMQWBBTOJ-NWANDNLSSA-N 2 1 395.277 3.842 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911548 847884572 /nfs/dbraw/zinc/88/45/72/847884572.db2.gz KYHJRNGHOCFASP-LADGPHEKSA-N 3 1 379.548 3.872 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911548 847884580 /nfs/dbraw/zinc/88/45/80/847884580.db2.gz KYHJRNGHOCFASP-LADGPHEKSA-N 2 1 379.548 3.872 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911548 847884592 /nfs/dbraw/zinc/88/45/92/847884592.db2.gz KYHJRNGHOCFASP-LADGPHEKSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422916598 847886834 /nfs/dbraw/zinc/88/68/34/847886834.db2.gz DSGKPOOABWVGBX-MLGOLLRUSA-N 2 1 387.833 3.681 20 0 GHADMP CCOC(=O)C1([C@H](C)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]CC1 ZINC000422921384 847904308 /nfs/dbraw/zinc/90/43/08/847904308.db2.gz OAZPZFRKYHNNIA-MOPGFXCFSA-N 2 1 387.568 3.794 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611678610 847910821 /nfs/dbraw/zinc/91/08/21/847910821.db2.gz JSKARVRLASJSOB-HSZRJFAPSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCCC1)c1ccccc1 ZINC000503734673 847927840 /nfs/dbraw/zinc/92/78/40/847927840.db2.gz KEQIOWAOLHKPCN-CTNGQTDRSA-N 2 1 398.595 3.966 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421325591 847948246 /nfs/dbraw/zinc/94/82/46/847948246.db2.gz LTVBENMIZDJCMD-UHFFFAOYSA-N 2 1 382.552 3.866 20 0 GHADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596119 848290737 /nfs/dbraw/zinc/29/07/37/848290737.db2.gz LFLMREZFJPASKI-FQEVSTJZSA-N 2 1 378.438 3.870 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC000657596993 848297901 /nfs/dbraw/zinc/29/79/01/848297901.db2.gz QBVJPPFJKCTOBJ-SFHVURJKSA-N 2 1 382.401 3.701 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c2cccs2)CC1 ZINC000582755123 848298086 /nfs/dbraw/zinc/29/80/86/848298086.db2.gz GVXJXPSVKPYXJM-QGZVFWFLSA-N 2 1 399.482 3.551 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000766036041 861915650 /nfs/dbraw/zinc/91/56/50/861915650.db2.gz DWOJBQJTKJKMEZ-NYVOZVTQSA-N 2 1 376.585 3.744 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511230853 848998884 /nfs/dbraw/zinc/99/88/84/848998884.db2.gz GOWPUCBSBWYXRX-SFHLNBCPSA-N 2 1 378.605 3.593 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511230853 848998891 /nfs/dbraw/zinc/99/88/91/848998891.db2.gz GOWPUCBSBWYXRX-SFHLNBCPSA-N 2 1 378.605 3.593 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511230853 848998899 /nfs/dbraw/zinc/99/88/99/848998899.db2.gz GOWPUCBSBWYXRX-SFHLNBCPSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](O)[C@@H]([NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)c1ccccc1F ZINC000583089283 849043604 /nfs/dbraw/zinc/04/36/04/849043604.db2.gz NBNGUFLLSUDHSS-SAWYMBPVSA-N 2 1 384.495 3.825 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O ZINC000448049109 849526460 /nfs/dbraw/zinc/52/64/60/849526460.db2.gz NFJBKZJXXBFAIX-LPHOPBHVSA-N 2 1 397.485 3.704 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000583333198 849645315 /nfs/dbraw/zinc/64/53/15/849645315.db2.gz IUYBNMUWVSXZQG-LSDVVMKASA-N 2 1 395.591 3.953 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000503953976 849797817 /nfs/dbraw/zinc/79/78/17/849797817.db2.gz RXRXULDLOGZHBI-VLGSPTGOSA-N 2 1 381.486 3.822 20 0 GHADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191818 849797903 /nfs/dbraw/zinc/79/79/03/849797903.db2.gz UDVFYJAQMNBTJC-KRWDZBQOSA-N 2 1 378.289 3.740 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000514437807 849854365 /nfs/dbraw/zinc/85/43/65/849854365.db2.gz GBSCDAHTTYJZQO-WOJBJXKFSA-N 2 1 398.576 3.583 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000514437807 849854374 /nfs/dbraw/zinc/85/43/74/849854374.db2.gz GBSCDAHTTYJZQO-WOJBJXKFSA-N 2 1 398.576 3.583 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC[C@H]3CCC[NH2+]3)s2)cc1OC ZINC000423353210 849879970 /nfs/dbraw/zinc/87/99/70/849879970.db2.gz BFVCGHMILLTVFH-WMLDXEAASA-N 2 1 389.565 3.852 20 0 GHADMP [NH3+][C@@H](CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000583439029 849890272 /nfs/dbraw/zinc/89/02/72/849890272.db2.gz SHKWJUAKQQQABD-QFIPXVFZSA-N 2 1 377.532 3.591 20 0 GHADMP COC[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000423459968 849934563 /nfs/dbraw/zinc/93/45/63/849934563.db2.gz AOKMUYARFMJGFC-YRISNDGFSA-N 2 1 378.438 3.774 20 0 GHADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCC2 ZINC000423499477 849943398 /nfs/dbraw/zinc/94/33/98/849943398.db2.gz AZMCHLFAFLRNED-YDPRHXJPSA-N 2 1 383.580 3.585 20 0 GHADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000423504121 849946489 /nfs/dbraw/zinc/94/64/89/849946489.db2.gz GJFXHQYXEKFKKV-ACBHZAAOSA-N 2 1 380.374 3.706 20 0 GHADMP COC[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000423578485 849987081 /nfs/dbraw/zinc/98/70/81/849987081.db2.gz UQZQRKDCVVAGMI-NRFANRHFSA-N 2 1 387.955 3.611 20 0 GHADMP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000505592843 850026265 /nfs/dbraw/zinc/02/62/65/850026265.db2.gz VJDRTKVQDSOHCR-KBXCAEBGSA-N 2 1 399.445 3.626 20 0 GHADMP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000505592845 850026614 /nfs/dbraw/zinc/02/66/14/850026614.db2.gz VJDRTKVQDSOHCR-KSSFIOAISA-N 2 1 399.445 3.626 20 0 GHADMP CC(C)(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423744431 850040953 /nfs/dbraw/zinc/04/09/53/850040953.db2.gz LEWAOAZVLMNRNN-QHCPKHFHSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000423812204 850067137 /nfs/dbraw/zinc/06/71/37/850067137.db2.gz QJTVYZBDSXDBRA-UHFFFAOYSA-N 2 1 390.325 3.525 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896617 850093893 /nfs/dbraw/zinc/09/38/93/850093893.db2.gz GTSLCLSGXRYATE-LADGPHEKSA-N 2 1 391.559 3.575 20 0 GHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(Br)cnn3C)cc2)CC1 ZINC000486932693 850260235 /nfs/dbraw/zinc/26/02/35/850260235.db2.gz VQRHNFLCWAMWJH-UHFFFAOYSA-N 2 1 391.357 3.704 20 0 GHADMP Clc1cc(I)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000424165016 850272439 /nfs/dbraw/zinc/27/24/39/850272439.db2.gz DAEZXQHSRGIAHP-LSDHHAIUSA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(I)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000424165016 850272446 /nfs/dbraw/zinc/27/24/46/850272446.db2.gz DAEZXQHSRGIAHP-LSDHHAIUSA-N 2 1 390.696 3.661 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167958498 850273370 /nfs/dbraw/zinc/27/33/70/850273370.db2.gz GAHOWQKYINMNQU-KGEPEWOVSA-N 2 1 377.573 3.817 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000486964161 850302152 /nfs/dbraw/zinc/30/21/52/850302152.db2.gz GVQKTEAUEJPYHF-OAHLLOKOSA-N 2 1 391.357 3.847 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000486964161 850302167 /nfs/dbraw/zinc/30/21/67/850302167.db2.gz GVQKTEAUEJPYHF-OAHLLOKOSA-N 2 1 391.357 3.847 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424300582 850341465 /nfs/dbraw/zinc/34/14/65/850341465.db2.gz WUTLBUOJWLZISM-FQEVSTJZSA-N 2 1 377.532 3.684 20 0 GHADMP CC1(C)C[NH+](CCCCC[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)[C@H]1[C@@H]1CCCO1 ZINC000514831069 850364273 /nfs/dbraw/zinc/36/42/73/850364273.db2.gz GZVNDFWVFMZCJH-WOZUAGRISA-N 2 1 378.601 3.936 20 0 GHADMP CC1(C)C[NH+](CCCCC[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[C@H]1[C@H]1CCCO1 ZINC000514831069 850364277 /nfs/dbraw/zinc/36/42/77/850364277.db2.gz GZVNDFWVFMZCJH-WOZUAGRISA-N 2 1 378.601 3.936 20 0 GHADMP CC1(C)C[NH+](CCCCC[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)[C@H]1[C@H]1CCCO1 ZINC000514831069 850364300 /nfs/dbraw/zinc/36/43/00/850364300.db2.gz GZVNDFWVFMZCJH-WOZUAGRISA-N 2 1 378.601 3.936 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1OC[C@H]1CCCO1)CC[NH2+]CC2 ZINC000424372856 850412826 /nfs/dbraw/zinc/41/28/26/850412826.db2.gz FZTFWDYPXYDAFA-QFBILLFUSA-N 2 1 378.944 3.862 20 0 GHADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000504893823 850420555 /nfs/dbraw/zinc/42/05/55/850420555.db2.gz IHVLVLLIEIOOHK-AVRDEDQJSA-N 2 1 377.532 3.721 20 0 GHADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000518977317 850445095 /nfs/dbraw/zinc/44/50/95/850445095.db2.gz KLQCJXDVPPZDQJ-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000518977317 850445098 /nfs/dbraw/zinc/44/50/98/850445098.db2.gz KLQCJXDVPPZDQJ-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP CCn1ccnc1C[N@H+](Cc1cccc2cccnc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435435634 850523059 /nfs/dbraw/zinc/52/30/59/850523059.db2.gz YXKOOJBJYBPUMN-FQEVSTJZSA-N 2 1 375.520 3.596 20 0 GHADMP CCn1ccnc1C[N@@H+](Cc1cccc2cccnc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435435634 850523063 /nfs/dbraw/zinc/52/30/63/850523063.db2.gz YXKOOJBJYBPUMN-FQEVSTJZSA-N 2 1 375.520 3.596 20 0 GHADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc(Br)c1OC(F)F ZINC000435447574 850537089 /nfs/dbraw/zinc/53/70/89/850537089.db2.gz QDCZRJYXVDVULJ-GFCCVEGCSA-N 2 1 393.272 3.633 20 0 GHADMP CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622599 850706670 /nfs/dbraw/zinc/70/66/70/850706670.db2.gz DRPSSTANPCRWBX-XXBNENTESA-N 2 1 397.588 3.686 20 0 GHADMP CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622599 850706676 /nfs/dbraw/zinc/70/66/76/850706676.db2.gz DRPSSTANPCRWBX-XXBNENTESA-N 2 1 397.588 3.686 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435682416 850747916 /nfs/dbraw/zinc/74/79/16/850747916.db2.gz NIAALZZFCYDQQQ-RXVVDRJESA-N 2 1 397.588 3.912 20 0 GHADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435682416 850747920 /nfs/dbraw/zinc/74/79/20/850747920.db2.gz NIAALZZFCYDQQQ-RXVVDRJESA-N 2 1 397.588 3.912 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)[NH+]2CCCCC2)cc1 ZINC000519227217 850761478 /nfs/dbraw/zinc/76/14/78/850761478.db2.gz CPNCTGZEWAEAKN-FDDCHVKYSA-N 2 1 399.579 3.601 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000732278838 862172365 /nfs/dbraw/zinc/17/23/65/862172365.db2.gz WDEYZSYKHQTETO-IBGZPJMESA-N 2 1 383.580 3.594 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000732278838 862172375 /nfs/dbraw/zinc/17/23/75/862172375.db2.gz WDEYZSYKHQTETO-IBGZPJMESA-N 2 1 383.580 3.594 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccc(F)cc3)C3CCCCC3)cn2)CC1 ZINC000435768916 850841926 /nfs/dbraw/zinc/84/19/26/850841926.db2.gz SQABQRNXQQVSIB-UHFFFAOYSA-N 2 1 397.542 3.702 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccc(F)cc3)C3CCCCC3)cn2)CC1 ZINC000435768916 850841933 /nfs/dbraw/zinc/84/19/33/850841933.db2.gz SQABQRNXQQVSIB-UHFFFAOYSA-N 2 1 397.542 3.702 20 0 GHADMP COC(=O)[C@@H](CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000425414031 850980949 /nfs/dbraw/zinc/98/09/49/850980949.db2.gz CKFSUHRGJBZKEF-QFIPXVFZSA-N 2 1 381.520 3.577 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487911880 850985631 /nfs/dbraw/zinc/98/56/31/850985631.db2.gz GGTOATBJPAJVSD-ZHALLVOQSA-N 2 1 385.939 3.770 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487911880 850985638 /nfs/dbraw/zinc/98/56/38/850985638.db2.gz GGTOATBJPAJVSD-ZHALLVOQSA-N 2 1 385.939 3.770 20 0 GHADMP C[N@H+](Cc1ccn(-c2ccc(F)cc2F)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000487929660 850999145 /nfs/dbraw/zinc/99/91/45/850999145.db2.gz LJHWRNDMUAEOCG-UHFFFAOYSA-N 2 1 397.473 3.894 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434353935 851024903 /nfs/dbraw/zinc/02/49/03/851024903.db2.gz YGLVOTYAVUORRU-LJQANCHMSA-N 2 1 392.613 3.618 20 0 GHADMP CCC1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000513993363 851093418 /nfs/dbraw/zinc/09/34/18/851093418.db2.gz AQESRQZACMYPPK-FCHUYYIVSA-N 2 1 398.595 3.605 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514040012 851148067 /nfs/dbraw/zinc/14/80/67/851148067.db2.gz SFKLRTDJLHKJMX-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000514040012 851148072 /nfs/dbraw/zinc/14/80/72/851148072.db2.gz SFKLRTDJLHKJMX-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000514040012 851148082 /nfs/dbraw/zinc/14/80/82/851148082.db2.gz SFKLRTDJLHKJMX-ZLNRFVROSA-N 2 1 398.595 3.699 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000180547941 862218096 /nfs/dbraw/zinc/21/80/96/862218096.db2.gz VBHZBWJOZCRCQB-UHFFFAOYSA-N 2 1 390.597 3.719 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1OC ZINC000514104031 851239519 /nfs/dbraw/zinc/23/95/19/851239519.db2.gz GTECSJWVUZQLDL-SFHVURJKSA-N 2 1 398.547 3.565 20 0 GHADMP CCOc1cc2[nH+]ccc(N3CC[NH+](Cc4ccco4)CC3)c2cc1OCC ZINC000488207751 851270022 /nfs/dbraw/zinc/27/00/22/851270022.db2.gz CMBSIVBLNBIYSN-UHFFFAOYSA-N 2 1 381.476 3.947 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000515644583 851302498 /nfs/dbraw/zinc/30/24/98/851302498.db2.gz BNGNZOAJZVMLDH-NUTAKKERSA-N 2 1 391.506 3.526 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000515644583 851302504 /nfs/dbraw/zinc/30/25/04/851302504.db2.gz BNGNZOAJZVMLDH-NUTAKKERSA-N 2 1 391.506 3.526 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)(C)C)CC1 ZINC000514141575 851307840 /nfs/dbraw/zinc/30/78/40/851307840.db2.gz HJZJPHPCUIVRGI-SFHVURJKSA-N 2 1 385.474 3.546 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)cc2)CC1 ZINC000436278479 851400159 /nfs/dbraw/zinc/40/01/59/851400159.db2.gz CVLFSLZYUMTMPZ-UHFFFAOYSA-N 2 1 380.511 3.734 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1CCCC[C@H]1C ZINC000514241753 851460823 /nfs/dbraw/zinc/46/08/23/851460823.db2.gz NDDZSTXUAGNSMG-CEXWTWQISA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCC[C@H]1C ZINC000514241753 851460816 /nfs/dbraw/zinc/46/08/16/851460816.db2.gz NDDZSTXUAGNSMG-CEXWTWQISA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H](CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1CCCC[C@H]1C ZINC000514241753 851460826 /nfs/dbraw/zinc/46/08/26/851460826.db2.gz NDDZSTXUAGNSMG-CEXWTWQISA-N 2 1 392.613 3.522 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000488511806 851575662 /nfs/dbraw/zinc/57/56/62/851575662.db2.gz HOEPHJSPFMCQRH-UNWVZKJWSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000488511806 851575672 /nfs/dbraw/zinc/57/56/72/851575672.db2.gz HOEPHJSPFMCQRH-UNWVZKJWSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000488511806 851575679 /nfs/dbraw/zinc/57/56/79/851575679.db2.gz HOEPHJSPFMCQRH-UNWVZKJWSA-N 2 1 383.580 3.668 20 0 GHADMP COc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCOCC2)c1 ZINC001167975788 851839638 /nfs/dbraw/zinc/83/96/38/851839638.db2.gz WBUGSTBAEBFAQP-FRIKZZABSA-N 2 1 384.564 3.738 20 0 GHADMP CO[C@H](C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000664837585 851879854 /nfs/dbraw/zinc/87/98/54/851879854.db2.gz PRQBKMQPODLCTP-DNVJHFABSA-N 2 1 386.580 3.661 20 0 GHADMP O=C1c2ccccc2CN1[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167977297 851915693 /nfs/dbraw/zinc/91/56/93/851915693.db2.gz BCJQNFCBNUHTSW-UHPUVVNFSA-N 2 1 393.575 3.949 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000438071707 851987125 /nfs/dbraw/zinc/98/71/25/851987125.db2.gz HHTVAYQGXXHZPI-VXKWHMMOSA-N 2 1 394.515 3.769 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000438071707 851987143 /nfs/dbraw/zinc/98/71/43/851987143.db2.gz HHTVAYQGXXHZPI-VXKWHMMOSA-N 2 1 394.515 3.769 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccccc2OC(F)F)[C@H](c2ccccc2)C1 ZINC000517537067 852065412 /nfs/dbraw/zinc/06/54/12/852065412.db2.gz CDKNUQPHFWFLCM-FQEVSTJZSA-N 2 1 389.490 3.756 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000600566329 862316336 /nfs/dbraw/zinc/31/63/36/862316336.db2.gz GQJZAYMUUSMJPA-HXUWFJFHSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000600566329 862316352 /nfs/dbraw/zinc/31/63/52/862316352.db2.gz GQJZAYMUUSMJPA-HXUWFJFHSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000517540598 852069889 /nfs/dbraw/zinc/06/98/89/852069889.db2.gz GCORIIQIDXETMG-OFNKIYASSA-N 2 1 394.563 3.595 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438185788 852117970 /nfs/dbraw/zinc/11/79/70/852117970.db2.gz FBZYIMCJDIHWJI-QORCZRPOSA-N 2 1 378.560 3.870 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000438185788 852117976 /nfs/dbraw/zinc/11/79/76/852117976.db2.gz FBZYIMCJDIHWJI-QORCZRPOSA-N 2 1 378.560 3.870 20 0 GHADMP CC[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550250395 852133942 /nfs/dbraw/zinc/13/39/42/852133942.db2.gz PPIHNJLSBFZOHK-DEOSSOPVSA-N 2 1 393.575 3.720 20 0 GHADMP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438329228 852254350 /nfs/dbraw/zinc/25/43/50/852254350.db2.gz PUULBYHMPDERCW-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)c2c(F)cccc2F)cc1 ZINC000180787976 862339974 /nfs/dbraw/zinc/33/99/74/862339974.db2.gz KYFLWIZDGMXQPR-CQSZACIVSA-N 2 1 384.430 3.540 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000505914483 852568990 /nfs/dbraw/zinc/56/89/90/852568990.db2.gz ZLEGPSAVAQUAOE-PUHATCMVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000505914483 852569001 /nfs/dbraw/zinc/56/90/01/852569001.db2.gz ZLEGPSAVAQUAOE-PUHATCMVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000505914483 852569014 /nfs/dbraw/zinc/56/90/14/852569014.db2.gz ZLEGPSAVAQUAOE-PUHATCMVSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489786954 852585448 /nfs/dbraw/zinc/58/54/48/852585448.db2.gz NYLJGNONTAGGHL-STZQEDGTSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000437070065 852715621 /nfs/dbraw/zinc/71/56/21/852715621.db2.gz SNECOKDDDMLKQZ-YLJYHZDGSA-N 2 1 383.502 3.761 20 0 GHADMP COc1cccc([C@@H]2[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)CC[N@H+]2C2CC2)c1 ZINC000427089874 852716536 /nfs/dbraw/zinc/71/65/36/852716536.db2.gz RJHMZCPZODEKCO-FGZHOGPDSA-N 2 1 399.579 3.601 20 0 GHADMP C[C@H]1CC(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)C1 ZINC000507292962 852767174 /nfs/dbraw/zinc/76/71/74/852767174.db2.gz WIHDWRKZNTYSLK-RTBURBONSA-N 2 1 377.617 3.713 20 0 GHADMP CC(C)N(C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC000519606061 852928450 /nfs/dbraw/zinc/92/84/50/852928450.db2.gz DMAVDLYJBFKRKS-FCHUYYIVSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC000519606061 852928454 /nfs/dbraw/zinc/92/84/54/852928454.db2.gz DMAVDLYJBFKRKS-FCHUYYIVSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC000519606061 852928462 /nfs/dbraw/zinc/92/84/62/852928462.db2.gz DMAVDLYJBFKRKS-FCHUYYIVSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC000519606061 852928468 /nfs/dbraw/zinc/92/84/68/852928468.db2.gz DMAVDLYJBFKRKS-FCHUYYIVSA-N 2 1 383.580 3.620 20 0 GHADMP CC(C)N(C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCC1 ZINC000519606061 852928473 /nfs/dbraw/zinc/92/84/73/852928473.db2.gz DMAVDLYJBFKRKS-FCHUYYIVSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(-n2ccnn2)cc1 ZINC000507509569 852988712 /nfs/dbraw/zinc/98/87/12/852988712.db2.gz LKQPIAGGZNJJPV-DYJHZFTCSA-N 2 1 387.531 3.829 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490601453 853125958 /nfs/dbraw/zinc/12/59/58/853125958.db2.gz NBTUXNSWRZBELV-HXUWFJFHSA-N 2 1 389.547 3.991 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490601453 853125964 /nfs/dbraw/zinc/12/59/64/853125964.db2.gz NBTUXNSWRZBELV-HXUWFJFHSA-N 2 1 389.547 3.991 20 0 GHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1)C1CCOCC1 ZINC000518277459 853155107 /nfs/dbraw/zinc/15/51/07/853155107.db2.gz OIOABAXZFJFBPD-UHFFFAOYSA-N 2 1 378.900 3.712 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1)C1CCOCC1 ZINC000518277459 853155114 /nfs/dbraw/zinc/15/51/14/853155114.db2.gz OIOABAXZFJFBPD-UHFFFAOYSA-N 2 1 378.900 3.712 20 0 GHADMP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490765430 853243059 /nfs/dbraw/zinc/24/30/59/853243059.db2.gz BBEZJPFKCKRGBJ-GBXCKJPGSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@@H]1C[N@@H+](CCCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490991167 853391474 /nfs/dbraw/zinc/39/14/74/853391474.db2.gz AFCUNSZEHOVDPP-NFBKMPQASA-N 2 1 387.612 3.711 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623860684 862462638 /nfs/dbraw/zinc/46/26/38/862462638.db2.gz BLEXYKIGEBRQRB-QZTJIDSGSA-N 2 1 399.560 3.622 20 0 GHADMP COc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)c2ccc(F)cc2)cc1 ZINC000491054602 853428963 /nfs/dbraw/zinc/42/89/63/853428963.db2.gz QUZFVPYKUJZNRA-XMMPIXPASA-N 2 1 399.554 3.787 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1 ZINC000518518579 853463250 /nfs/dbraw/zinc/46/32/50/853463250.db2.gz CCDUTCKDXVVYOO-GIVPXCGWSA-N 2 1 393.531 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC[N@H+]1Cc1ccccc1 ZINC000518518579 853463255 /nfs/dbraw/zinc/46/32/55/853463255.db2.gz CCDUTCKDXVVYOO-GIVPXCGWSA-N 2 1 393.531 3.550 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623866345 862467644 /nfs/dbraw/zinc/46/76/44/862467644.db2.gz RTCVWNYRIKWEKG-YYWHXJBOSA-N 2 1 399.560 3.765 20 0 GHADMP Cc1ccc(NC(=O)CC[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nc1 ZINC000518683471 853632291 /nfs/dbraw/zinc/63/22/91/853632291.db2.gz IIRDFVMKUAHTHW-LJQANCHMSA-N 2 1 380.536 3.740 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c2ccccc12 ZINC000518747677 853724892 /nfs/dbraw/zinc/72/48/92/853724892.db2.gz SEDUVWPIVBMFKY-NRFANRHFSA-N 2 1 395.572 3.988 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000571168981 853778108 /nfs/dbraw/zinc/77/81/08/853778108.db2.gz DNLWQSURIXOPAP-MOPGFXCFSA-N 2 1 375.513 3.668 20 0 GHADMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000623891425 862505269 /nfs/dbraw/zinc/50/52/69/862505269.db2.gz MCJOMMCCGCAASS-ZFWWWQNUSA-N 2 1 393.881 3.511 20 0 GHADMP C[NH+](C)CCOc1ccccc1CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623908602 862510322 /nfs/dbraw/zinc/51/03/22/862510322.db2.gz IMBQTCCFOIRYAU-UHFFFAOYSA-N 2 1 389.503 3.549 20 0 GHADMP c1ncn(Cc2ccccc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000520228477 853975948 /nfs/dbraw/zinc/97/59/48/853975948.db2.gz PBRBQPKOCUNMHS-QHCPKHFHSA-N 2 1 387.531 3.613 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989330 854016630 /nfs/dbraw/zinc/01/66/30/854016630.db2.gz XMUBOYHAWDFQEG-CHJXOBGISA-N 3 1 379.592 3.764 20 0 GHADMP Cc1ccc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989330 854016636 /nfs/dbraw/zinc/01/66/36/854016636.db2.gz XMUBOYHAWDFQEG-CHJXOBGISA-N 2 1 379.592 3.764 20 0 GHADMP Cc1ccc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989330 854016645 /nfs/dbraw/zinc/01/66/45/854016645.db2.gz XMUBOYHAWDFQEG-CHJXOBGISA-N 2 1 379.592 3.764 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000604814191 862525163 /nfs/dbraw/zinc/52/51/63/862525163.db2.gz RPZHGRXXNDBINH-LJQANCHMSA-N 2 1 392.547 3.527 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4cccc(F)c4F)o3)C2)CC1 ZINC000520305855 854051714 /nfs/dbraw/zinc/05/17/14/854051714.db2.gz RTXKAHUQBHACLJ-QGZVFWFLSA-N 2 1 389.490 3.825 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000520378660 854147019 /nfs/dbraw/zinc/14/70/19/854147019.db2.gz MNPHZNMEJVZPRP-JOCHJYFZSA-N 2 1 399.966 3.766 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000441377590 854161417 /nfs/dbraw/zinc/16/14/17/854161417.db2.gz CFRYTFVYHREEJH-HBFSDRIKSA-N 2 1 384.568 3.574 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000165012126 854186064 /nfs/dbraw/zinc/18/60/64/854186064.db2.gz RMYYCRYCIWSBJC-VPWXQRGCSA-N 2 1 392.590 3.885 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000165012126 854186066 /nfs/dbraw/zinc/18/60/66/854186066.db2.gz RMYYCRYCIWSBJC-VPWXQRGCSA-N 2 1 392.590 3.885 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458859752 854225213 /nfs/dbraw/zinc/22/52/13/854225213.db2.gz VHVPNGIWBGSJBA-RTWAWAEBSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1nc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)sc1C ZINC000112518519 854255326 /nfs/dbraw/zinc/25/53/26/854255326.db2.gz DZIOTMHVJOSSCO-MRXNPFEDSA-N 2 1 386.565 3.863 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C(C)C ZINC000588267142 854262942 /nfs/dbraw/zinc/26/29/42/854262942.db2.gz PSLKFOHUZFFAGX-GOSISDBHSA-N 2 1 380.602 3.551 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(C)C ZINC000588277670 854267032 /nfs/dbraw/zinc/26/70/32/854267032.db2.gz VCIGKCWXWMQAIA-IBGZPJMESA-N 2 1 380.964 3.506 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@H]21 ZINC000572044268 854342669 /nfs/dbraw/zinc/34/26/69/854342669.db2.gz BLEISJJPXCJGRP-FVQBIDKESA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(Br)c4)o3)C[C@H]21 ZINC000572044268 854342671 /nfs/dbraw/zinc/34/26/71/854342671.db2.gz BLEISJJPXCJGRP-FVQBIDKESA-N 2 1 376.298 3.663 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C[C@@H](C)O1 ZINC000588709610 854369889 /nfs/dbraw/zinc/36/98/89/854369889.db2.gz KYBVMAFROQSFHO-IAGOWNOFSA-N 2 1 387.499 3.802 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)C[C@H]1C ZINC000458897198 854478334 /nfs/dbraw/zinc/47/83/34/854478334.db2.gz OZQLUEWUMLKLNC-IMFGXOCKSA-N 2 1 392.613 3.525 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000073640025 854737179 /nfs/dbraw/zinc/73/71/79/854737179.db2.gz OPOTYOVYEWFDDS-UHFFFAOYSA-N 2 1 386.584 3.577 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000624053661 862615569 /nfs/dbraw/zinc/61/55/69/862615569.db2.gz LPMACGUMZGDSTN-QRQLOZEOSA-N 2 1 392.469 3.972 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000624053661 862615572 /nfs/dbraw/zinc/61/55/72/862615572.db2.gz LPMACGUMZGDSTN-QRQLOZEOSA-N 2 1 392.469 3.972 20 0 GHADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000572702552 854939869 /nfs/dbraw/zinc/93/98/69/854939869.db2.gz RPFWCIZZAZTDEI-OXQOHEQNSA-N 2 1 388.556 3.686 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000572732141 854956581 /nfs/dbraw/zinc/95/65/81/854956581.db2.gz VKLZKXOWNHYIKS-KRWDZBQOSA-N 2 1 395.288 3.794 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000572732141 854956585 /nfs/dbraw/zinc/95/65/85/854956585.db2.gz VKLZKXOWNHYIKS-KRWDZBQOSA-N 2 1 395.288 3.794 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000589669861 855117485 /nfs/dbraw/zinc/11/74/85/855117485.db2.gz BKTKPFBCYSFEOW-LJQANCHMSA-N 2 1 388.600 3.790 20 0 GHADMP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000671913135 855194887 /nfs/dbraw/zinc/19/48/87/855194887.db2.gz VFVYXMJWEWKNFJ-QHCPKHFHSA-N 2 1 399.579 3.573 20 0 GHADMP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998844 855221115 /nfs/dbraw/zinc/22/11/15/855221115.db2.gz ZRPUCAODBJAWQU-NJYVYQBISA-N 2 1 385.596 3.723 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000589998805 855221305 /nfs/dbraw/zinc/22/13/05/855221305.db2.gz QVXDPRKWEOFQKL-HXUWFJFHSA-N 2 1 379.548 3.708 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000590125460 855289532 /nfs/dbraw/zinc/28/95/32/855289532.db2.gz SVAQTFKZLPMQBE-UHFFFAOYSA-N 2 1 377.273 3.824 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002441 855601153 /nfs/dbraw/zinc/60/11/53/855601153.db2.gz SJAPANVCSRZKPX-JYEDNEFCSA-N 2 1 382.548 3.847 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002441 855601158 /nfs/dbraw/zinc/60/11/58/855601158.db2.gz SJAPANVCSRZKPX-JYEDNEFCSA-N 2 1 382.548 3.847 20 0 GHADMP O=C(OCc1ccccc1)[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002441 855601162 /nfs/dbraw/zinc/60/11/62/855601162.db2.gz SJAPANVCSRZKPX-JYEDNEFCSA-N 2 1 382.548 3.847 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000057887205 855768838 /nfs/dbraw/zinc/76/88/38/855768838.db2.gz RCABJTWKAXIHTL-LJQANCHMSA-N 2 1 394.563 3.926 20 0 GHADMP O=C1NCC[C@H]1CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000520604790 855773610 /nfs/dbraw/zinc/77/36/10/855773610.db2.gz YASGCEPQUBSYJM-GOTSBHOMSA-N 2 1 383.580 3.669 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccc(Br)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000189775162 855830901 /nfs/dbraw/zinc/83/09/01/855830901.db2.gz VDIIZYLLFPLEFH-UHFFFAOYSA-N 2 1 388.781 3.560 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)c2)C1 ZINC000765868951 855840024 /nfs/dbraw/zinc/84/00/24/855840024.db2.gz VHBZTFZLWXAZDF-SSGKUCQKSA-N 2 1 383.580 3.832 20 0 GHADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152375185 855842868 /nfs/dbraw/zinc/84/28/68/855842868.db2.gz NTUALBURGSOZSQ-GCJKJVERSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152375185 855842872 /nfs/dbraw/zinc/84/28/72/855842872.db2.gz NTUALBURGSOZSQ-GCJKJVERSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152375185 855842877 /nfs/dbraw/zinc/84/28/77/855842877.db2.gz NTUALBURGSOZSQ-GCJKJVERSA-N 2 1 385.577 3.617 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000591429557 855974354 /nfs/dbraw/zinc/97/43/54/855974354.db2.gz VBTTXYWNKXWLTL-XXBNENTESA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(Br)cc2OC)CC1 ZINC000542856875 856166239 /nfs/dbraw/zinc/16/62/39/856166239.db2.gz MWFUKGQYFVGBED-UHFFFAOYSA-N 2 1 399.373 3.781 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)C[C@H]21 ZINC000579593647 856207718 /nfs/dbraw/zinc/20/77/18/856207718.db2.gz ZDHINVRJSHWLBH-LPOZWGFCSA-N 2 1 397.950 3.605 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)C[C@H]21 ZINC000579593647 856207730 /nfs/dbraw/zinc/20/77/30/856207730.db2.gz ZDHINVRJSHWLBH-LPOZWGFCSA-N 2 1 397.950 3.605 20 0 GHADMP CN(Cc1cccs1)C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536484225 856215949 /nfs/dbraw/zinc/21/59/49/856215949.db2.gz AYVOIWRBULHQIY-UHFFFAOYSA-N 2 1 397.588 3.695 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000658076052 856408105 /nfs/dbraw/zinc/40/81/05/856408105.db2.gz DSLLKXJWTMLESV-SDHSZQHLSA-N 2 1 391.559 3.856 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCc4ccc(C)cc43)CC2)CC1 ZINC000573694775 856441141 /nfs/dbraw/zinc/44/11/41/856441141.db2.gz AQZGIURZYXNMCK-QHCPKHFHSA-N 2 1 383.580 3.685 20 0 GHADMP CC1(C)CC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC(C)(C)[NH2+]1 ZINC000195548565 856445489 /nfs/dbraw/zinc/44/54/89/856445489.db2.gz PVPRZBQLQPCUBD-UHFFFAOYSA-N 2 1 383.330 3.619 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136962 856492015 /nfs/dbraw/zinc/49/20/15/856492015.db2.gz DURACAVSIVHQDI-PMACEKPBSA-N 2 1 390.572 3.760 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000043136961 856492239 /nfs/dbraw/zinc/49/22/39/856492239.db2.gz DURACAVSIVHQDI-UXHICEINSA-N 2 1 390.572 3.760 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000625674723 862814923 /nfs/dbraw/zinc/81/49/23/862814923.db2.gz BUEPBZRJMMHCFG-VEXUSMLFSA-N 2 1 391.559 3.674 20 0 GHADMP CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000605165554 862817355 /nfs/dbraw/zinc/81/73/55/862817355.db2.gz JJUKIPMLJRMICJ-FXAWDEMLSA-N 2 1 397.485 3.689 20 0 GHADMP CC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000605165554 862817372 /nfs/dbraw/zinc/81/73/72/862817372.db2.gz JJUKIPMLJRMICJ-FXAWDEMLSA-N 2 1 397.485 3.689 20 0 GHADMP C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000507951553 856736575 /nfs/dbraw/zinc/73/65/75/856736575.db2.gz CYOHEIDNCAQGTL-YZLZLFLDSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000507951553 856736578 /nfs/dbraw/zinc/73/65/78/856736578.db2.gz CYOHEIDNCAQGTL-YZLZLFLDSA-N 2 1 377.960 3.854 20 0 GHADMP C[N@@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605148885 862833036 /nfs/dbraw/zinc/83/30/36/862833036.db2.gz LDVHZXDHTYNZMA-WMLDXEAASA-N 2 1 389.425 3.894 20 0 GHADMP C[N@H+]1CCC[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605148885 862833051 /nfs/dbraw/zinc/83/30/51/862833051.db2.gz LDVHZXDHTYNZMA-WMLDXEAASA-N 2 1 389.425 3.894 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000045757661 856761932 /nfs/dbraw/zinc/76/19/32/856761932.db2.gz UKVNKZCHQSUSPL-PMACEKPBSA-N 2 1 386.584 3.522 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc2)CC1 ZINC000485612515 856831681 /nfs/dbraw/zinc/83/16/81/856831681.db2.gz HSOKHMINWIXKEE-DNVJHFABSA-N 2 1 398.595 3.585 20 0 GHADMP Cn1ccc([C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c2ccc(F)cc2)n1 ZINC000658164908 856900503 /nfs/dbraw/zinc/90/05/03/856900503.db2.gz GPZCBKXGAASINJ-QHCPKHFHSA-N 2 1 393.510 3.545 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000508204403 857066952 /nfs/dbraw/zinc/06/69/52/857066952.db2.gz HBSFMCFMGJPLLA-HXUWFJFHSA-N 2 1 386.584 3.828 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000675195165 857079582 /nfs/dbraw/zinc/07/95/82/857079582.db2.gz SYHRGLOEWRDTTB-KSEOMHKRSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@]12CC[N@@H+](CCCCCCC[NH3+])C[C@H]1C2(Br)Br ZINC000852754381 878578569 /nfs/dbraw/zinc/57/85/69/878578569.db2.gz FMHJVJYNNUFVNS-OLZOCXBDSA-N 2 1 382.184 3.724 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000485812107 857113384 /nfs/dbraw/zinc/11/33/84/857113384.db2.gz LUWYKJNCEFHSKS-UHFFFAOYSA-N 2 1 393.373 3.890 20 0 GHADMP Brc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c2ncccc12 ZINC000414887017 857123552 /nfs/dbraw/zinc/12/35/52/857123552.db2.gz WJMKDLBCVHTMQU-UHFFFAOYSA-N 2 1 385.309 3.662 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000474025060 857157205 /nfs/dbraw/zinc/15/72/05/857157205.db2.gz SACFKCXXAZLUCJ-KNQAVFIVSA-N 2 1 386.584 3.728 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCc3sccc3C2)CC1 ZINC000592985089 857174045 /nfs/dbraw/zinc/17/40/45/857174045.db2.gz SGXNIXKGHJGLTG-UHFFFAOYSA-N 2 1 397.588 3.586 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCc3sccc3C2)CC1 ZINC000592985089 857174054 /nfs/dbraw/zinc/17/40/54/857174054.db2.gz SGXNIXKGHJGLTG-UHFFFAOYSA-N 2 1 397.588 3.586 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1c1ccccc1 ZINC000668572751 857319922 /nfs/dbraw/zinc/31/99/22/857319922.db2.gz KGUSUAIRFFBQAN-UKILVPOCSA-N 2 1 394.559 3.759 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000672457988 857362957 /nfs/dbraw/zinc/36/29/57/857362957.db2.gz ZCRQRZKWGZFSIR-OXQOHEQNSA-N 2 1 394.991 3.752 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(Oc3ccccn3)c2)C1 ZINC000921981757 857408607 /nfs/dbraw/zinc/40/86/07/857408607.db2.gz WNGQFBXAMWQNMP-QFIPXVFZSA-N 2 1 389.499 3.730 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)C1 ZINC000442226847 857619060 /nfs/dbraw/zinc/61/90/60/857619060.db2.gz BPDKGXUYUHSDDO-IRLDBZIGSA-N 2 1 397.567 3.615 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)C1 ZINC000675822398 857624858 /nfs/dbraw/zinc/62/48/58/857624858.db2.gz YTPXUCRANRKSRD-IRLDBZIGSA-N 2 1 399.966 3.801 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000181628679 862946357 /nfs/dbraw/zinc/94/63/57/862946357.db2.gz PHODOYGLSGCHRD-GOSISDBHSA-N 3 1 387.547 3.604 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744442 857764477 /nfs/dbraw/zinc/76/44/77/857764477.db2.gz HXCSDAATBNRVLH-PZJWPPBQSA-N 2 1 375.520 3.830 20 0 GHADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000486575145 857877629 /nfs/dbraw/zinc/87/76/29/857877629.db2.gz YVEPLALCYHPNNY-UHFFFAOYSA-N 2 1 393.575 3.879 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000574445152 857885928 /nfs/dbraw/zinc/88/59/28/857885928.db2.gz RPXHBSRWSDHYBN-WOIUINJBSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(C)c1 ZINC000574445152 857885938 /nfs/dbraw/zinc/88/59/38/857885938.db2.gz RPXHBSRWSDHYBN-WOIUINJBSA-N 2 1 388.577 3.777 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)CC2)CC1 ZINC000574463901 857902997 /nfs/dbraw/zinc/90/29/97/857902997.db2.gz ZKLXCDKHTUOAIK-HSZRJFAPSA-N 2 1 383.580 3.855 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000594099978 857936098 /nfs/dbraw/zinc/93/60/98/857936098.db2.gz TXZQYXQPVVEBKM-REWPJTCUSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594186274 857990735 /nfs/dbraw/zinc/99/07/35/857990735.db2.gz JFGKYSGVWSWRSJ-NHCUHLMSSA-N 2 1 399.579 3.640 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000669524987 858027677 /nfs/dbraw/zinc/02/76/77/858027677.db2.gz ZULMYFURKWWZPB-WMQCIHAUSA-N 2 1 395.551 3.663 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442707883 858065042 /nfs/dbraw/zinc/06/50/42/858065042.db2.gz HSEXMUDKGODFIY-NRFANRHFSA-N 2 1 388.559 3.562 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000442797935 858140152 /nfs/dbraw/zinc/14/01/52/858140152.db2.gz XKICGECBAIBPDP-ZHALLVOQSA-N 2 1 397.485 3.519 20 0 GHADMP O=C(C[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000543059977 858147086 /nfs/dbraw/zinc/14/70/86/858147086.db2.gz OZABOLRCHPFKRU-JBVUFVISSA-N 2 1 387.593 3.749 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000574727688 858152378 /nfs/dbraw/zinc/15/23/78/858152378.db2.gz GKSIADMBTCMVSB-LJQANCHMSA-N 2 1 382.504 3.816 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000574727688 858152380 /nfs/dbraw/zinc/15/23/80/858152380.db2.gz GKSIADMBTCMVSB-LJQANCHMSA-N 2 1 382.504 3.816 20 0 GHADMP COc1ccccc1-c1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000665299120 858182081 /nfs/dbraw/zinc/18/20/81/858182081.db2.gz GQFJELUNNNIVDY-NZQKXSOJSA-N 2 1 391.471 3.696 20 0 GHADMP C[C@@H](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCC1 ZINC000181743701 862994827 /nfs/dbraw/zinc/99/48/27/862994827.db2.gz KKCYLDWAPKHIQG-ZSJMHYJMSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000181769322 863007644 /nfs/dbraw/zinc/00/76/44/863007644.db2.gz ARXZVRBPUUJTFM-TYNCELHUSA-N 2 1 379.854 3.841 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1)C1CCCCC1 ZINC000594976912 858338275 /nfs/dbraw/zinc/33/82/75/858338275.db2.gz CPCKXXYSYUYYCL-QFIPXVFZSA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000594976912 858338280 /nfs/dbraw/zinc/33/82/80/858338280.db2.gz CPCKXXYSYUYYCL-QFIPXVFZSA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000594976912 858338282 /nfs/dbraw/zinc/33/82/82/858338282.db2.gz CPCKXXYSYUYYCL-QFIPXVFZSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058026 858343233 /nfs/dbraw/zinc/34/32/33/858343233.db2.gz IVETZNBDFGBJOH-NEPJUHHUSA-N 2 1 377.838 3.747 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058029 858343468 /nfs/dbraw/zinc/34/34/68/858343468.db2.gz IVETZNBDFGBJOH-VXGBXAGGSA-N 2 1 377.838 3.747 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n(C)c1C ZINC000595001568 858362884 /nfs/dbraw/zinc/36/28/84/858362884.db2.gz XEAGSJYJDQGUMO-FQEVSTJZSA-N 2 1 395.547 3.512 20 0 GHADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521905789 858415942 /nfs/dbraw/zinc/41/59/42/858415942.db2.gz HXQDAGBJBUOZTG-QHCPKHFHSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000079393943 858511950 /nfs/dbraw/zinc/51/19/50/858511950.db2.gz CVQIWHIXYRSOQY-NRFANRHFSA-N 2 1 392.632 3.796 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCc1ccccc1Br ZINC000543139621 858577526 /nfs/dbraw/zinc/57/75/26/858577526.db2.gz MVFZZLLIHAEVPQ-NZSAHSFTSA-N 2 1 381.358 3.565 20 0 GHADMP O=C1[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCN1c1ccccc1F ZINC000522134642 858651961 /nfs/dbraw/zinc/65/19/61/858651961.db2.gz JDCQJUQXMUIIPV-NRFANRHFSA-N 2 1 381.495 3.707 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2C)cc1 ZINC000183676927 858793630 /nfs/dbraw/zinc/79/36/30/858793630.db2.gz ULCKJHHHCMIGRQ-MSOLQXFVSA-N 2 1 376.504 3.845 20 0 GHADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000183695844 858800100 /nfs/dbraw/zinc/80/01/00/858800100.db2.gz NCGPAWCVHXPUCB-DEOSSOPVSA-N 2 1 385.596 3.755 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000648008538 858862457 /nfs/dbraw/zinc/86/24/57/858862457.db2.gz NCNXRCJKEWLFRK-FQEVSTJZSA-N 2 1 378.520 3.942 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)o1 ZINC000648008538 858862469 /nfs/dbraw/zinc/86/24/69/858862469.db2.gz NCNXRCJKEWLFRK-FQEVSTJZSA-N 2 1 378.520 3.942 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000648008538 858862477 /nfs/dbraw/zinc/86/24/77/858862477.db2.gz NCNXRCJKEWLFRK-FQEVSTJZSA-N 2 1 378.520 3.942 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000648008538 858862486 /nfs/dbraw/zinc/86/24/86/858862486.db2.gz NCNXRCJKEWLFRK-FQEVSTJZSA-N 2 1 378.520 3.942 20 0 GHADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000479331192 858923627 /nfs/dbraw/zinc/92/36/27/858923627.db2.gz OZSWEJDAWHQVMF-QFIPXVFZSA-N 2 1 380.532 3.988 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c2cccc(Br)c21 ZINC000482872133 858929739 /nfs/dbraw/zinc/92/97/39/858929739.db2.gz BEKNNMRPHITLFB-RKVPGOIHSA-N 2 1 381.358 3.680 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000482886619 858942326 /nfs/dbraw/zinc/94/23/26/858942326.db2.gz JEQMZFNCYJYPHR-KRWDZBQOSA-N 2 1 384.351 3.513 20 0 GHADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482888281 858943454 /nfs/dbraw/zinc/94/34/54/858943454.db2.gz MHKDRZFEEYKBBX-LJQANCHMSA-N 2 1 389.584 3.705 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000429686623 859005990 /nfs/dbraw/zinc/00/59/90/859005990.db2.gz OZXDARJNVROVCE-PZUNEJSGSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000429686623 859005997 /nfs/dbraw/zinc/00/59/97/859005997.db2.gz OZXDARJNVROVCE-PZUNEJSGSA-N 2 1 399.623 3.864 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000429686623 859006012 /nfs/dbraw/zinc/00/60/12/859006012.db2.gz OZXDARJNVROVCE-PZUNEJSGSA-N 2 1 399.623 3.864 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccsc3)C2)ccn1 ZINC000856551096 881371201 /nfs/dbraw/zinc/37/12/01/881371201.db2.gz KSEXZBOYWCAZOW-FQEVSTJZSA-N 2 1 397.548 3.638 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccsc3)C2)ccn1 ZINC000856551096 881371223 /nfs/dbraw/zinc/37/12/23/881371223.db2.gz KSEXZBOYWCAZOW-FQEVSTJZSA-N 2 1 397.548 3.638 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccsc3)C2)ccn1 ZINC000856551096 881371242 /nfs/dbraw/zinc/37/12/42/881371242.db2.gz KSEXZBOYWCAZOW-FQEVSTJZSA-N 2 1 397.548 3.638 20 0 GHADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120236812 881373182 /nfs/dbraw/zinc/37/31/82/881373182.db2.gz GBBUGNHRDLZCOR-QGZVFWFLSA-N 2 1 393.522 3.730 20 0 GHADMP C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693823 859117110 /nfs/dbraw/zinc/11/71/10/859117110.db2.gz WMTIPPRSEBRVCZ-FRQCXROJSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693823 859117115 /nfs/dbraw/zinc/11/71/15/859117115.db2.gz WMTIPPRSEBRVCZ-FRQCXROJSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693823 859117119 /nfs/dbraw/zinc/11/71/19/859117119.db2.gz WMTIPPRSEBRVCZ-FRQCXROJSA-N 2 1 375.944 3.688 20 0 GHADMP CC(C)c1ccc(CCNC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185718718 859120754 /nfs/dbraw/zinc/12/07/54/859120754.db2.gz DIKNJCSASSELDS-UGKGYDQZSA-N 2 1 385.596 3.711 20 0 GHADMP CC(C)c1ccc(CCNC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185718718 859120756 /nfs/dbraw/zinc/12/07/56/859120756.db2.gz DIKNJCSASSELDS-UGKGYDQZSA-N 2 1 385.596 3.711 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185769701 859127770 /nfs/dbraw/zinc/12/77/70/859127770.db2.gz VGDZKLMLBUBUDA-ZHALLVOQSA-N 2 1 380.960 3.631 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(OC(C)C)c3)C2)ccn1 ZINC000856554073 881388128 /nfs/dbraw/zinc/38/81/28/881388128.db2.gz OTDKLPGJLGILIX-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(OC(C)C)c3)C2)ccn1 ZINC000856554073 881388158 /nfs/dbraw/zinc/38/81/58/881388158.db2.gz OTDKLPGJLGILIX-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(OC(C)C)c3)C2)ccn1 ZINC000856554073 881388184 /nfs/dbraw/zinc/38/81/84/881388184.db2.gz OTDKLPGJLGILIX-QHCPKHFHSA-N 2 1 383.536 3.974 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191483851 859178360 /nfs/dbraw/zinc/17/83/60/859178360.db2.gz KHFKLADWKQHSAE-INIZCTEOSA-N 2 1 376.932 3.688 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000191483851 859178369 /nfs/dbraw/zinc/17/83/69/859178369.db2.gz KHFKLADWKQHSAE-INIZCTEOSA-N 2 1 376.932 3.688 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(OC)cc3Cl)C2)ccn1 ZINC000856555080 881396396 /nfs/dbraw/zinc/39/63/96/881396396.db2.gz MSEHYZLYGWPDKG-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(OC)cc3Cl)C2)ccn1 ZINC000856555080 881396412 /nfs/dbraw/zinc/39/64/12/881396412.db2.gz MSEHYZLYGWPDKG-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(OC)cc3Cl)C2)ccn1 ZINC000856555080 881396431 /nfs/dbraw/zinc/39/64/31/881396431.db2.gz MSEHYZLYGWPDKG-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(OC)cc3Cl)C2)ccn1 ZINC000856555080 881396449 /nfs/dbraw/zinc/39/64/49/881396449.db2.gz MSEHYZLYGWPDKG-HXUWFJFHSA-N 2 1 389.927 3.849 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccccc3)C2)ccn1 ZINC000856555875 881404162 /nfs/dbraw/zinc/40/41/62/881404162.db2.gz SQAJIWMXFXPALW-QFIPXVFZSA-N 2 1 391.519 3.577 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)ccn1 ZINC000856555875 881404297 /nfs/dbraw/zinc/40/42/97/881404297.db2.gz SQAJIWMXFXPALW-QFIPXVFZSA-N 2 1 391.519 3.577 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)ccn1 ZINC000856555875 881404419 /nfs/dbraw/zinc/40/44/19/881404419.db2.gz SQAJIWMXFXPALW-QFIPXVFZSA-N 2 1 391.519 3.577 20 0 GHADMP Cc1cccc([C@@H]2C[C@H]2C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000626017596 859348716 /nfs/dbraw/zinc/34/87/16/859348716.db2.gz SVMHYIDJQQILJE-BJKOFHAPSA-N 2 1 397.607 3.753 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000765980043 859384282 /nfs/dbraw/zinc/38/42/82/859384282.db2.gz YYRZFHLXSCDESN-HKUYNNGSSA-N 2 1 384.442 3.806 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCCCC1 ZINC000764357367 859403404 /nfs/dbraw/zinc/40/34/04/859403404.db2.gz UFHCGAOPWGUKAM-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000626062047 859434764 /nfs/dbraw/zinc/43/47/64/859434764.db2.gz DPLMAXSKZCTLRW-RTBURBONSA-N 2 1 397.563 3.845 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3cccc(Cl)c3)cc2)C1 ZINC000657594205 859452459 /nfs/dbraw/zinc/45/24/59/859452459.db2.gz GKRUUYPTXPBQCV-NRFANRHFSA-N 2 1 396.922 3.587 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc(C)c1O ZINC000856558938 881426168 /nfs/dbraw/zinc/42/61/68/881426168.db2.gz LXBJIEFKEMFIDE-JOCHJYFZSA-N 2 1 383.536 3.898 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(C)c1O ZINC000856558938 881426176 /nfs/dbraw/zinc/42/61/76/881426176.db2.gz LXBJIEFKEMFIDE-JOCHJYFZSA-N 2 1 383.536 3.898 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(C)c1O ZINC000856558938 881426191 /nfs/dbraw/zinc/42/61/91/881426191.db2.gz LXBJIEFKEMFIDE-JOCHJYFZSA-N 2 1 383.536 3.898 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000483642780 859504899 /nfs/dbraw/zinc/50/48/99/859504899.db2.gz WPJWSJOYOKOXGL-KXBFYZLASA-N 2 1 397.485 3.689 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H]1C ZINC000483692358 859545388 /nfs/dbraw/zinc/54/53/88/859545388.db2.gz MEGQADZWFLVWNU-UGKGYDQZSA-N 2 1 386.584 3.687 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]1c1cccs1 ZINC000483717617 859557041 /nfs/dbraw/zinc/55/70/41/859557041.db2.gz YAEKGFGZUHZDRW-PGRDOPGGSA-N 2 1 384.593 3.780 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]1c1cccs1 ZINC000483717617 859557047 /nfs/dbraw/zinc/55/70/47/859557047.db2.gz YAEKGFGZUHZDRW-PGRDOPGGSA-N 2 1 384.593 3.780 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168029536 859560052 /nfs/dbraw/zinc/56/00/52/859560052.db2.gz SWGHOTUNEROIFW-UPPNCUKMSA-N 2 1 393.575 3.923 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000483806105 859621630 /nfs/dbraw/zinc/62/16/30/859621630.db2.gz KCAYEDZAYFSVPW-QFIPXVFZSA-N 2 1 390.616 3.737 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)s2)cc1 ZINC000922389440 859875114 /nfs/dbraw/zinc/87/51/14/859875114.db2.gz VPVWOJLGENNEIN-JBPLPALLSA-N 2 1 385.577 3.688 20 0 GHADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000922387274 859883270 /nfs/dbraw/zinc/88/32/70/859883270.db2.gz LNSCGHUNCACXBT-LFEHRJTNSA-N 2 1 388.886 3.511 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000765377420 859943398 /nfs/dbraw/zinc/94/33/98/859943398.db2.gz GJGOIFQSBGIMFP-IPMKNSEASA-N 2 1 376.545 3.739 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602629581 860183663 /nfs/dbraw/zinc/18/36/63/860183663.db2.gz LRKGLZTUPIBTLF-FXAWDEMLSA-N 2 1 399.560 3.820 20 0 GHADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000602629581 860183669 /nfs/dbraw/zinc/18/36/69/860183669.db2.gz LRKGLZTUPIBTLF-FXAWDEMLSA-N 2 1 399.560 3.820 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474501395 860236601 /nfs/dbraw/zinc/23/66/01/860236601.db2.gz VIZUKSIZCRFZSW-XQBPLPMBSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474501395 860236606 /nfs/dbraw/zinc/23/66/06/860236606.db2.gz VIZUKSIZCRFZSW-XQBPLPMBSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474501395 860236614 /nfs/dbraw/zinc/23/66/14/860236614.db2.gz VIZUKSIZCRFZSW-XQBPLPMBSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474501395 860236621 /nfs/dbraw/zinc/23/66/21/860236621.db2.gz VIZUKSIZCRFZSW-XQBPLPMBSA-N 2 1 389.559 3.664 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474542215 860326737 /nfs/dbraw/zinc/32/67/37/860326737.db2.gz AVPRQHYFDXQKCH-NQIIRXRSSA-N 2 1 377.548 3.807 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474542215 860326742 /nfs/dbraw/zinc/32/67/42/860326742.db2.gz AVPRQHYFDXQKCH-NQIIRXRSSA-N 2 1 377.548 3.807 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474562207 860352986 /nfs/dbraw/zinc/35/29/86/860352986.db2.gz SAZMJBTVEXLBSF-OSZJIOELSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474562207 860352992 /nfs/dbraw/zinc/35/29/92/860352992.db2.gz SAZMJBTVEXLBSF-OSZJIOELSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474562207 860353000 /nfs/dbraw/zinc/35/30/00/860353000.db2.gz SAZMJBTVEXLBSF-OSZJIOELSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474562207 860353011 /nfs/dbraw/zinc/35/30/11/860353011.db2.gz SAZMJBTVEXLBSF-OSZJIOELSA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785418663 860379211 /nfs/dbraw/zinc/37/92/11/860379211.db2.gz WIQHBLJUSNPLNC-OAHLLOKOSA-N 2 1 391.357 3.704 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785418663 860379222 /nfs/dbraw/zinc/37/92/22/860379222.db2.gz WIQHBLJUSNPLNC-OAHLLOKOSA-N 2 1 391.357 3.704 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583697 881536007 /nfs/dbraw/zinc/53/60/07/881536007.db2.gz PHQKCRNNOGEBQU-FGZHOGPDSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583697 881536026 /nfs/dbraw/zinc/53/60/26/881536026.db2.gz PHQKCRNNOGEBQU-FGZHOGPDSA-N 2 1 375.557 3.582 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](OC)C3CCCCC3)C2)ccn1 ZINC000856583697 881536036 /nfs/dbraw/zinc/53/60/36/881536036.db2.gz PHQKCRNNOGEBQU-FGZHOGPDSA-N 2 1 375.557 3.582 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000904509321 860483257 /nfs/dbraw/zinc/48/32/57/860483257.db2.gz CBGNLMAXFZUBPO-RZUBCFFCSA-N 2 1 378.520 3.568 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000124812113 860541242 /nfs/dbraw/zinc/54/12/42/860541242.db2.gz FWGVBCICENVIJR-UHFFFAOYSA-N 2 1 380.458 3.808 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000124812113 860541249 /nfs/dbraw/zinc/54/12/49/860541249.db2.gz FWGVBCICENVIJR-UHFFFAOYSA-N 2 1 380.458 3.808 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000904653344 860546140 /nfs/dbraw/zinc/54/61/40/860546140.db2.gz YZCGZJRGSMCOHM-QHCPKHFHSA-N 2 1 378.520 3.665 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccccc3OC3CC3)C2)ccn1 ZINC000856584567 881554957 /nfs/dbraw/zinc/55/49/57/881554957.db2.gz MSAGYKVPDOJZGG-QFIPXVFZSA-N 2 1 381.520 3.728 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3OC3CC3)C2)ccn1 ZINC000856584567 881554966 /nfs/dbraw/zinc/55/49/66/881554966.db2.gz MSAGYKVPDOJZGG-QFIPXVFZSA-N 2 1 381.520 3.728 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3OC3CC3)C2)ccn1 ZINC000856584567 881554979 /nfs/dbraw/zinc/55/49/79/881554979.db2.gz MSAGYKVPDOJZGG-QFIPXVFZSA-N 2 1 381.520 3.728 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000429008276 860671786 /nfs/dbraw/zinc/67/17/86/860671786.db2.gz XLXJGIJDLSMQCZ-HLAWJBBLSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599189 881571807 /nfs/dbraw/zinc/57/18/07/881571807.db2.gz GLBIOANUAXUBQJ-HXUWFJFHSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599189 881571808 /nfs/dbraw/zinc/57/18/08/881571808.db2.gz GLBIOANUAXUBQJ-HXUWFJFHSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccc(F)c(F)c3)C2)ccn1 ZINC000856599189 881571820 /nfs/dbraw/zinc/57/18/20/881571820.db2.gz GLBIOANUAXUBQJ-HXUWFJFHSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599786 881575183 /nfs/dbraw/zinc/57/51/83/881575183.db2.gz SPGVYEFRZPDTHB-OIBXWCBGSA-N 2 1 389.584 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599786 881575190 /nfs/dbraw/zinc/57/51/90/881575190.db2.gz SPGVYEFRZPDTHB-OIBXWCBGSA-N 2 1 389.584 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599786 881575196 /nfs/dbraw/zinc/57/51/96/881575196.db2.gz SPGVYEFRZPDTHB-OIBXWCBGSA-N 2 1 389.584 3.970 20 0 GHADMP C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000642056635 860815203 /nfs/dbraw/zinc/81/52/03/860815203.db2.gz LOIGUFSRVCPYTO-FQEVSTJZSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000126025918 860908977 /nfs/dbraw/zinc/90/89/77/860908977.db2.gz MSAMOHOOSUYAFR-LJQANCHMSA-N 2 1 386.584 3.555 20 0 GHADMP Fc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1F ZINC000557038198 881605102 /nfs/dbraw/zinc/60/51/02/881605102.db2.gz CYTWANMKBADVKL-FQEVSTJZSA-N 2 1 386.486 3.983 20 0 GHADMP Fc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1F ZINC000557038198 881605112 /nfs/dbraw/zinc/60/51/12/881605112.db2.gz CYTWANMKBADVKL-FQEVSTJZSA-N 2 1 386.486 3.983 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)o1 ZINC000603686109 861039347 /nfs/dbraw/zinc/03/93/47/861039347.db2.gz CSHUIMSMUCTPRX-RTBURBONSA-N 2 1 375.557 3.848 20 0 GHADMP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623444325 861073965 /nfs/dbraw/zinc/07/39/65/861073965.db2.gz CZFJHHVXQDQHLD-IEBWSBKVSA-N 2 1 375.557 3.505 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000181972187 863069344 /nfs/dbraw/zinc/06/93/44/863069344.db2.gz DTXONSUQRAIFPT-JOCHJYFZSA-N 2 1 383.511 3.577 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552293 863298341 /nfs/dbraw/zinc/29/83/41/863298341.db2.gz RRNMCZPKTFWTSY-PKOBYXMFSA-N 2 1 399.510 3.856 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000482552293 863298346 /nfs/dbraw/zinc/29/83/46/863298346.db2.gz RRNMCZPKTFWTSY-PKOBYXMFSA-N 2 1 399.510 3.856 20 0 GHADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C2CC2)o1 ZINC000183137294 863481594 /nfs/dbraw/zinc/48/15/94/863481594.db2.gz OOCPRFIGTYWVLN-QGZVFWFLSA-N 2 1 392.503 3.924 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2F)cc1 ZINC000183156617 863491769 /nfs/dbraw/zinc/49/17/69/863491769.db2.gz RXWGUUNWCRRDCE-IERDGZPVSA-N 2 1 383.467 3.548 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000856717994 881683052 /nfs/dbraw/zinc/68/30/52/881683052.db2.gz LYPGURPFCXMEHE-XZOQPEGZSA-N 2 1 377.532 3.500 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000856717994 881683061 /nfs/dbraw/zinc/68/30/61/881683061.db2.gz LYPGURPFCXMEHE-XZOQPEGZSA-N 2 1 377.532 3.500 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)c2coc(C[NH3+])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000444268244 863788694 /nfs/dbraw/zinc/78/86/94/863788694.db2.gz LQKAPVUYVMVQGP-KSSFIOAISA-N 2 1 395.425 3.570 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000532300441 881708315 /nfs/dbraw/zinc/70/83/15/881708315.db2.gz ICPXTVWKMBCEPO-LJQANCHMSA-N 2 1 380.532 3.953 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000158642976 863898058 /nfs/dbraw/zinc/89/80/58/863898058.db2.gz XUDWMNUBAXJHIX-HDICACEKSA-N 2 1 391.987 3.902 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000103306000 863950681 /nfs/dbraw/zinc/95/06/81/863950681.db2.gz MJBGBLLXIKTYSI-FCHUYYIVSA-N 2 1 392.632 3.652 20 0 GHADMP CC(C)N(CC[NH+](C)C)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667610205 863952465 /nfs/dbraw/zinc/95/24/65/863952465.db2.gz ZOKDJPINQAWWNJ-UHFFFAOYSA-N 2 1 389.569 3.694 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172775747 863955126 /nfs/dbraw/zinc/95/51/26/863955126.db2.gz JMXFSOZTSSIYDN-HSZRJFAPSA-N 2 1 393.531 3.856 20 0 GHADMP C[C@@H]1CC([N@@H+]2CCC[C@H](Oc3cnccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054689 863980526 /nfs/dbraw/zinc/98/05/26/863980526.db2.gz ALXWXYLJRSDQMJ-KNKQGSTJSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1CC([N@H+]2CCC[C@H](Oc3cnccn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054689 863980538 /nfs/dbraw/zinc/98/05/38/863980538.db2.gz ALXWXYLJRSDQMJ-KNKQGSTJSA-N 2 1 380.536 3.761 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000159190184 864060284 /nfs/dbraw/zinc/06/02/84/864060284.db2.gz ZWBDFRVQBGBSBC-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000159190184 864060298 /nfs/dbraw/zinc/06/02/98/864060298.db2.gz ZWBDFRVQBGBSBC-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000159190184 864060313 /nfs/dbraw/zinc/06/03/13/864060313.db2.gz ZWBDFRVQBGBSBC-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000475101420 864175848 /nfs/dbraw/zinc/17/58/48/864175848.db2.gz NZFDGDSRHPLWQZ-RTWAWAEBSA-N 2 1 398.551 3.578 20 0 GHADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000480243853 864309452 /nfs/dbraw/zinc/30/94/52/864309452.db2.gz WKDQWNOQKTVKSP-LJQANCHMSA-N 2 1 377.532 3.912 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000480243853 864309455 /nfs/dbraw/zinc/30/94/55/864309455.db2.gz WKDQWNOQKTVKSP-LJQANCHMSA-N 2 1 377.532 3.912 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000621660221 864337043 /nfs/dbraw/zinc/33/70/43/864337043.db2.gz CMUPQONTSYVBAN-HNNXBMFYSA-N 2 1 398.378 3.854 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)[C@H]1C ZINC000792874274 881762687 /nfs/dbraw/zinc/76/26/87/881762687.db2.gz UKIGKSFHADFLKX-JLMWRMLUSA-N 2 1 387.568 3.854 20 0 GHADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000734849618 864475665 /nfs/dbraw/zinc/47/56/65/864475665.db2.gz CNWWAYYHTRBUDF-NQIIRXRSSA-N 2 1 388.600 3.960 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c2cccs2)CC1 ZINC000554552898 864537021 /nfs/dbraw/zinc/53/70/21/864537021.db2.gz GJEGWZVQBYQXIF-HMXCVIKNSA-N 2 1 384.593 3.748 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCOc3cc(C)ccc32)c1 ZINC000163628980 864543930 /nfs/dbraw/zinc/54/39/30/864543930.db2.gz SOUWWBGVEMECLL-QHCPKHFHSA-N 2 1 398.547 3.956 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000164249953 864602488 /nfs/dbraw/zinc/60/24/88/864602488.db2.gz DMNWWPKEMHXPNQ-HOTGVXAUSA-N 2 1 398.532 3.964 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H]1c1cccs1 ZINC000621981267 864656987 /nfs/dbraw/zinc/65/69/87/864656987.db2.gz KAUZALXVGHJTBB-HOJAQTOUSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1cccs1 ZINC000621981267 864656996 /nfs/dbraw/zinc/65/69/96/864656996.db2.gz KAUZALXVGHJTBB-HOJAQTOUSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1cccs1 ZINC000621981267 864657002 /nfs/dbraw/zinc/65/70/02/864657002.db2.gz KAUZALXVGHJTBB-HOJAQTOUSA-N 2 1 383.561 3.664 20 0 GHADMP CCN(Cc1ccnn1-c1cc[nH+]cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667684283 864756347 /nfs/dbraw/zinc/75/63/47/864756347.db2.gz QLENETGXAYTXTA-NRFANRHFSA-N 2 1 375.520 3.611 20 0 GHADMP Fc1cccc(F)c1N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000167472905 864780846 /nfs/dbraw/zinc/78/08/46/864780846.db2.gz UJUCOEAQSWUZIJ-HXUWFJFHSA-N 2 1 385.502 3.840 20 0 GHADMP CCOC(=O)c1ccc(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC001142599679 864807756 /nfs/dbraw/zinc/80/77/56/864807756.db2.gz OZYFIWCVEZLROS-UHFFFAOYSA-N 2 1 378.516 3.886 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000444338103 864811650 /nfs/dbraw/zinc/81/16/50/864811650.db2.gz CJLKRJZGRVFBHY-OAHLLOKOSA-N 2 1 383.540 3.850 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000622292105 864911988 /nfs/dbraw/zinc/91/19/88/864911988.db2.gz IOCDZGFWCZSKPY-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000622292105 864911997 /nfs/dbraw/zinc/91/19/97/864911997.db2.gz IOCDZGFWCZSKPY-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000622292105 864912005 /nfs/dbraw/zinc/91/20/05/864912005.db2.gz IOCDZGFWCZSKPY-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000622292105 864912013 /nfs/dbraw/zinc/91/20/13/864912013.db2.gz IOCDZGFWCZSKPY-JOCHJYFZSA-N 2 1 387.543 3.657 20 0 GHADMP c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667706276 864942089 /nfs/dbraw/zinc/94/20/89/864942089.db2.gz WAWOBOQNPOPSMQ-URXFXBBRSA-N 2 1 387.531 3.754 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000608061206 864954970 /nfs/dbraw/zinc/95/49/70/864954970.db2.gz GHAYDVXPLIVUER-PGRDOPGGSA-N 2 1 375.520 3.566 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000480646382 865034019 /nfs/dbraw/zinc/03/40/19/865034019.db2.gz VCCNLWJTNDYGKZ-FDDCHVKYSA-N 2 1 377.532 3.802 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000480646384 865034438 /nfs/dbraw/zinc/03/44/38/865034438.db2.gz VCCNLWJTNDYGKZ-JPYJTQIMSA-N 2 1 377.532 3.802 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C(C)C)cc1Cl ZINC000429539819 881833336 /nfs/dbraw/zinc/83/33/36/881833336.db2.gz VWSHEEHODIDNKY-QZTJIDSGSA-N 2 1 382.976 3.928 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C(C)C)cc1Cl ZINC000429539819 881833346 /nfs/dbraw/zinc/83/33/46/881833346.db2.gz VWSHEEHODIDNKY-QZTJIDSGSA-N 2 1 382.976 3.928 20 0 GHADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000480781486 865258640 /nfs/dbraw/zinc/25/86/40/865258640.db2.gz SFYORTLXPAVNRJ-XXBNENTESA-N 2 1 397.563 3.733 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000480773371 865272345 /nfs/dbraw/zinc/27/23/45/865272345.db2.gz XAKZGUXPUUIPIX-IRLDBZIGSA-N 2 1 387.637 3.848 20 0 GHADMP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)c1 ZINC000301313220 865278217 /nfs/dbraw/zinc/27/82/17/865278217.db2.gz JUVYQTPQWZLPCS-UHFFFAOYSA-N 2 1 399.292 3.728 20 0 GHADMP CC[N@@H+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000554992801 865288886 /nfs/dbraw/zinc/28/88/86/865288886.db2.gz HNEDLODQMDCASC-AIOONPSKSA-N 2 1 389.971 3.854 20 0 GHADMP CC[NH+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000554992801 865288896 /nfs/dbraw/zinc/28/88/96/865288896.db2.gz HNEDLODQMDCASC-AIOONPSKSA-N 2 1 389.971 3.854 20 0 GHADMP CC[NH+](CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000554992801 865288909 /nfs/dbraw/zinc/28/89/09/865288909.db2.gz HNEDLODQMDCASC-AIOONPSKSA-N 2 1 389.971 3.854 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCc2ccccc2C1 ZINC000171594271 865304091 /nfs/dbraw/zinc/30/40/91/865304091.db2.gz NHRSRZAPPBDXDE-HXUWFJFHSA-N 2 1 391.559 3.604 20 0 GHADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCC1 ZINC000480800813 865306978 /nfs/dbraw/zinc/30/69/78/865306978.db2.gz CLGYPKAUKMGGPV-SIKLNZKXSA-N 2 1 399.579 3.603 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1C ZINC000301410991 865344995 /nfs/dbraw/zinc/34/49/95/865344995.db2.gz KAWWCJZOTHDGHP-WMLDXEAASA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2c1C ZINC000301410991 865345011 /nfs/dbraw/zinc/34/50/11/865345011.db2.gz KAWWCJZOTHDGHP-WMLDXEAASA-N 2 1 387.597 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1C ZINC000301410991 865345027 /nfs/dbraw/zinc/34/50/27/865345027.db2.gz KAWWCJZOTHDGHP-WMLDXEAASA-N 2 1 387.597 3.823 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000667768765 865439813 /nfs/dbraw/zinc/43/98/13/865439813.db2.gz DWVCKTGIDYXTHY-OAQYLSRUSA-N 2 1 380.536 3.830 20 0 GHADMP Cc1sc2nc(CN3CCCC3)nc(N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)c2c1C ZINC000301610468 865453539 /nfs/dbraw/zinc/45/35/39/865453539.db2.gz CMKZSUOGXZXIMB-YOEHRIQHSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)c2c1C ZINC000301610468 865453544 /nfs/dbraw/zinc/45/35/44/865453544.db2.gz CMKZSUOGXZXIMB-YOEHRIQHSA-N 2 1 387.597 3.680 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)c2c1C ZINC000301610468 865453551 /nfs/dbraw/zinc/45/35/51/865453551.db2.gz CMKZSUOGXZXIMB-YOEHRIQHSA-N 2 1 387.597 3.680 20 0 GHADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)cc2)CC1 ZINC000172080568 865481548 /nfs/dbraw/zinc/48/15/48/865481548.db2.gz BNIHYKHWXXKPJD-QHCPKHFHSA-N 2 1 379.548 3.838 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](Cc3ccccc3)C(C)C)CC2)CC1 ZINC000899268482 865681122 /nfs/dbraw/zinc/68/11/22/865681122.db2.gz GKFCWIBOQADKNX-HSZRJFAPSA-N 2 1 385.596 3.566 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H]2CCC[C@H]21 ZINC000514103272 865688315 /nfs/dbraw/zinc/68/83/15/865688315.db2.gz AZLQOQIWLRPZHP-XPWALMASSA-N 2 1 376.548 3.607 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000481164777 865905740 /nfs/dbraw/zinc/90/57/40/865905740.db2.gz ADFMWJJFIBIAEH-QAPCUYQASA-N 2 1 391.968 3.518 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(Cl)s1 ZINC000481164777 865905752 /nfs/dbraw/zinc/90/57/52/865905752.db2.gz ADFMWJJFIBIAEH-QAPCUYQASA-N 2 1 391.968 3.518 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000481170113 865913801 /nfs/dbraw/zinc/91/38/01/865913801.db2.gz CHUPIUCDAXAJSR-NQIIRXRSSA-N 2 1 382.504 3.684 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000481170113 865913812 /nfs/dbraw/zinc/91/38/12/865913812.db2.gz CHUPIUCDAXAJSR-NQIIRXRSSA-N 2 1 382.504 3.684 20 0 GHADMP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184537 865947627 /nfs/dbraw/zinc/94/76/27/865947627.db2.gz CWWKMAIUPIRJEA-MSYCTHLASA-N 2 1 397.538 3.673 20 0 GHADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)N(C)Cc1cccc(F)c1 ZINC000481184537 865947635 /nfs/dbraw/zinc/94/76/35/865947635.db2.gz CWWKMAIUPIRJEA-MSYCTHLASA-N 2 1 397.538 3.673 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001168068361 866091337 /nfs/dbraw/zinc/09/13/37/866091337.db2.gz XVKKMSORJOZZCS-WOIUINJBSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1ccnc(O[C@@H]2CC[N@H+](C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001168068361 866091347 /nfs/dbraw/zinc/09/13/47/866091347.db2.gz XVKKMSORJOZZCS-WOIUINJBSA-N 2 1 380.536 3.680 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3c3cccs3)CC2)CC1 ZINC000552876603 866413855 /nfs/dbraw/zinc/41/38/55/866413855.db2.gz YNZVAGLUNQRNOK-IBGZPJMESA-N 2 1 375.582 3.608 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000152479414 866566332 /nfs/dbraw/zinc/56/63/32/866566332.db2.gz LGHHRPVAQKBCJY-SJORKVTESA-N 2 1 376.566 3.538 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000857077662 881991995 /nfs/dbraw/zinc/99/19/95/881991995.db2.gz MLGQENDEFHSMMF-UPVQGACJSA-N 2 1 377.532 3.986 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000553038147 866679481 /nfs/dbraw/zinc/67/94/81/866679481.db2.gz SWVZWRFFMOSSFS-BZUAXINKSA-N 2 1 391.522 3.522 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000553038147 866679488 /nfs/dbraw/zinc/67/94/88/866679488.db2.gz SWVZWRFFMOSSFS-BZUAXINKSA-N 2 1 391.522 3.522 20 0 GHADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000553038147 866679492 /nfs/dbraw/zinc/67/94/92/866679492.db2.gz SWVZWRFFMOSSFS-BZUAXINKSA-N 2 1 391.522 3.522 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000114456855 866766817 /nfs/dbraw/zinc/76/68/17/866766817.db2.gz JMYVYNOUFZYXFS-JOCHJYFZSA-N 2 1 382.552 3.684 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)CC1 ZINC000114456855 866766837 /nfs/dbraw/zinc/76/68/37/866766837.db2.gz JMYVYNOUFZYXFS-JOCHJYFZSA-N 2 1 382.552 3.684 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553125613 866843796 /nfs/dbraw/zinc/84/37/96/866843796.db2.gz SIXJBJCPDUFVRS-JOCHJYFZSA-N 2 1 383.561 3.548 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)c(C(F)(F)F)c2)n1 ZINC000154299713 867342670 /nfs/dbraw/zinc/34/26/70/867342670.db2.gz NGYASXZHMALDEB-ORAYPTAESA-N 2 1 380.458 3.938 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1CCCC1 ZINC000523470881 867356014 /nfs/dbraw/zinc/35/60/14/867356014.db2.gz RNJSBLWVQZWAOM-OAQYLSRUSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553430069 867384644 /nfs/dbraw/zinc/38/46/44/867384644.db2.gz GUCCHHPMWDRODU-YFVAEKQCSA-N 2 1 384.568 3.578 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000479266599 867460570 /nfs/dbraw/zinc/46/05/70/867460570.db2.gz OYVDPZHNOFXEMB-YESZJQIVSA-N 2 1 383.374 3.859 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000553499086 867518692 /nfs/dbraw/zinc/51/86/92/867518692.db2.gz ZQNCXZLGXHRDGO-HSZRJFAPSA-N 2 1 393.575 3.775 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000523635778 867702422 /nfs/dbraw/zinc/70/24/22/867702422.db2.gz RWZBRHSHYGHGMG-OIBXWCBGSA-N 2 1 383.580 3.799 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000523670713 867721814 /nfs/dbraw/zinc/72/18/14/867721814.db2.gz RMGCRTLLHZBJRB-GFCCVEGCSA-N 2 1 391.865 3.959 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCc4nn(C)cc43)cc2)C[C@H]1C ZINC000479409078 867732824 /nfs/dbraw/zinc/73/28/24/867732824.db2.gz OXRRTMBYXDGFKA-SELNLUPBSA-N 2 1 396.579 3.596 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCc1ccccc1F ZINC000523706534 867782187 /nfs/dbraw/zinc/78/21/87/867782187.db2.gz SFGOVDRIDGJPPH-RBUKOAKNSA-N 2 1 397.538 3.852 20 0 GHADMP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965333 867837646 /nfs/dbraw/zinc/83/76/46/867837646.db2.gz QZXBRVPNDQFSPS-UNMCSNQZSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000479528743 867925216 /nfs/dbraw/zinc/92/52/16/867925216.db2.gz JTERTYDXGWAXQJ-FPOVZHCZSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000479528743 867925229 /nfs/dbraw/zinc/92/52/29/867925229.db2.gz JTERTYDXGWAXQJ-FPOVZHCZSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000479528743 867925241 /nfs/dbraw/zinc/92/52/41/867925241.db2.gz JTERTYDXGWAXQJ-FPOVZHCZSA-N 2 1 390.616 3.689 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000535202137 868336863 /nfs/dbraw/zinc/33/68/63/868336863.db2.gz RFMMRYYQJBFQDS-UHFFFAOYSA-N 2 1 379.295 3.649 20 0 GHADMP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC3(CCCC3)C2)[NH+]2CCCCC2)cc1 ZINC000743863326 868480099 /nfs/dbraw/zinc/48/00/99/868480099.db2.gz FDKHRXQJVCLAEC-JOCHJYFZSA-N 2 1 399.579 3.605 20 0 GHADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)CC1 ZINC000157279377 868610719 /nfs/dbraw/zinc/61/07/19/868610719.db2.gz CAMCPBIAIHTBDO-UZLBHIALSA-N 2 1 397.966 3.705 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CNC[C@@H](C3CC3)[NH+](C)Cc3ccccc3)sc2C1 ZINC000479875994 868640294 /nfs/dbraw/zinc/64/02/94/868640294.db2.gz NAAVTNFOBYJAPV-NRFANRHFSA-N 2 1 398.620 3.910 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@@H](C3CC3)[N@H+](C)Cc3ccccc3)sc2C1 ZINC000479875994 868640306 /nfs/dbraw/zinc/64/03/06/868640306.db2.gz NAAVTNFOBYJAPV-NRFANRHFSA-N 2 1 398.620 3.910 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@@H](C3CC3)[N@@H+](C)Cc3ccccc3)sc2C1 ZINC000479875994 868640317 /nfs/dbraw/zinc/64/03/17/868640317.db2.gz NAAVTNFOBYJAPV-NRFANRHFSA-N 2 1 398.620 3.910 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000572588960 868720598 /nfs/dbraw/zinc/72/05/98/868720598.db2.gz YNNCUBUXBKXKGS-DNQXCXABSA-N 2 1 396.575 3.935 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000157672972 868728966 /nfs/dbraw/zinc/72/89/66/868728966.db2.gz FRGKQOXPFXRQJD-MOPGFXCFSA-N 2 1 390.535 3.888 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000133414504 882223997 /nfs/dbraw/zinc/22/39/97/882223997.db2.gz GESIJQLTPHZCML-OAHLLOKOSA-N 2 1 397.485 3.831 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000133414504 882224015 /nfs/dbraw/zinc/22/40/15/882224015.db2.gz GESIJQLTPHZCML-OAHLLOKOSA-N 2 1 397.485 3.831 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000524357017 868961032 /nfs/dbraw/zinc/96/10/32/868961032.db2.gz FWUJLOWRUYHBBT-GFCCVEGCSA-N 2 1 391.865 3.959 20 0 GHADMP CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000462243508 869083029 /nfs/dbraw/zinc/08/30/29/869083029.db2.gz DPGDYQKMUZURAV-AZUAARDMSA-N 2 1 396.535 3.568 20 0 GHADMP CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000462243508 869083040 /nfs/dbraw/zinc/08/30/40/869083040.db2.gz DPGDYQKMUZURAV-AZUAARDMSA-N 2 1 396.535 3.568 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccsc1 ZINC000524619249 869352112 /nfs/dbraw/zinc/35/21/12/869352112.db2.gz PSTKIOFJROXUOD-UXHICEINSA-N 2 1 392.613 3.695 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Br)c1 ZINC000793590035 882295510 /nfs/dbraw/zinc/29/55/10/882295510.db2.gz BVJLHNBETQTRGB-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3C[C@@H]4CCC(C)(C)c5cccc3c54)cn2)CC1 ZINC000539588132 869412188 /nfs/dbraw/zinc/41/21/88/869412188.db2.gz GJHCJMKRDKPBJP-GHTZIAJQSA-N 2 1 391.563 3.618 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000524857401 869656624 /nfs/dbraw/zinc/65/66/24/869656624.db2.gz LVDIKAGLESVKRU-QGZVFWFLSA-N 2 1 386.462 3.585 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H](F)CC1CCCCC1 ZINC000793620072 882335503 /nfs/dbraw/zinc/33/55/03/882335503.db2.gz SKPLYOLFXVNBBL-QFIPXVFZSA-N 2 1 395.607 3.950 20 0 GHADMP COc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1Cl ZINC000462682645 869893251 /nfs/dbraw/zinc/89/32/51/869893251.db2.gz XZHNDUQQICANTF-NRFANRHFSA-N 2 1 387.955 3.817 20 0 GHADMP CCCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000539895202 869982064 /nfs/dbraw/zinc/98/20/64/869982064.db2.gz TXMSEHAORXAKST-IRFCIJBXSA-N 2 1 376.541 3.558 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000539895202 869982076 /nfs/dbraw/zinc/98/20/76/869982076.db2.gz TXMSEHAORXAKST-IRFCIJBXSA-N 2 1 376.541 3.558 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539898621 869985974 /nfs/dbraw/zinc/98/59/74/869985974.db2.gz YRNBEPILZWEMPU-YFNKSVMNSA-N 2 1 396.579 3.540 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000539898621 869985978 /nfs/dbraw/zinc/98/59/78/869985978.db2.gz YRNBEPILZWEMPU-YFNKSVMNSA-N 2 1 396.579 3.540 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462738366 869996194 /nfs/dbraw/zinc/99/61/94/869996194.db2.gz LDRKIWZFMFWHFA-JOCHJYFZSA-N 2 1 388.600 3.662 20 0 GHADMP C[C@H](CCNC(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000446565908 870013560 /nfs/dbraw/zinc/01/35/60/870013560.db2.gz QWXAYCLOFFVAID-LJQANCHMSA-N 2 1 382.552 3.823 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446573301 870024364 /nfs/dbraw/zinc/02/43/64/870024364.db2.gz VYSTXARERKEUHQ-NQIIRXRSSA-N 2 1 380.536 3.748 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000462808077 870133641 /nfs/dbraw/zinc/13/36/41/870133641.db2.gz GOEHYYAQQDHMRD-AUSIDOKSSA-N 2 1 377.532 3.533 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1)CC1CC1 ZINC000540015923 870201194 /nfs/dbraw/zinc/20/11/94/870201194.db2.gz POKBNQCYXPYKSU-UHFFFAOYSA-N 2 1 392.632 3.650 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000248040140 870268971 /nfs/dbraw/zinc/26/89/71/870268971.db2.gz SPEUJRCXKCCFMF-REHUZNOOSA-N 2 1 396.531 3.635 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000248040140 870268980 /nfs/dbraw/zinc/26/89/80/870268980.db2.gz SPEUJRCXKCCFMF-REHUZNOOSA-N 2 1 396.531 3.635 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Oc4ccccc4)cc3)CC[C@@H]21 ZINC000248040140 870268995 /nfs/dbraw/zinc/26/89/95/870268995.db2.gz SPEUJRCXKCCFMF-REHUZNOOSA-N 2 1 396.531 3.635 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000540044259 870297135 /nfs/dbraw/zinc/29/71/35/870297135.db2.gz RWZIEJRHSDHKRH-VQTJNVASSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cnn1-c1cc(C)ccc1C ZINC000248148583 870301042 /nfs/dbraw/zinc/30/10/42/870301042.db2.gz QLSOVVKBFJIFJW-CTNGQTDRSA-N 2 1 384.568 3.685 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1OC(F)F ZINC000248172141 870308807 /nfs/dbraw/zinc/30/88/07/870308807.db2.gz UZEKVBHIECFSQQ-ZFWWWQNUSA-N 2 1 376.875 3.829 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000525308926 870325164 /nfs/dbraw/zinc/32/51/64/870325164.db2.gz CSRDSJFNICNXPN-UHFFFAOYSA-N 2 1 387.337 3.911 20 0 GHADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248461924 870440545 /nfs/dbraw/zinc/44/05/45/870440545.db2.gz XXYPXLYFPMQMKO-XUZZJYLKSA-N 2 1 380.532 3.819 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CN1c1ccccc1F ZINC000462972130 870573991 /nfs/dbraw/zinc/57/39/91/870573991.db2.gz YPTFRLOQSIQRMV-XSDIEEQYSA-N 2 1 393.506 3.716 20 0 GHADMP O=C1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CN1c1ccccc1F ZINC000462972130 870573996 /nfs/dbraw/zinc/57/39/96/870573996.db2.gz YPTFRLOQSIQRMV-XSDIEEQYSA-N 2 1 393.506 3.716 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)C2)cc1 ZINC000248814684 870647339 /nfs/dbraw/zinc/64/73/39/870647339.db2.gz ADWKNBQBPNVGTQ-LADGPHEKSA-N 2 1 380.532 3.856 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000540182801 870698753 /nfs/dbraw/zinc/69/87/53/870698753.db2.gz TYAFPGRZUVMBRC-APWZRJJASA-N 2 1 397.485 3.573 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)CC(F)(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000540182801 870698760 /nfs/dbraw/zinc/69/87/60/870698760.db2.gz TYAFPGRZUVMBRC-APWZRJJASA-N 2 1 397.485 3.573 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2sc(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000249275498 870799750 /nfs/dbraw/zinc/79/97/50/870799750.db2.gz JWJOSQGBKBATLA-JSGCOSHPSA-N 2 1 379.492 3.697 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sc(C)nc2C(F)(F)F)[C@@H](C)C1 ZINC000249275498 870799761 /nfs/dbraw/zinc/79/97/61/870799761.db2.gz JWJOSQGBKBATLA-JSGCOSHPSA-N 2 1 379.492 3.697 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1OC ZINC000463111416 870907644 /nfs/dbraw/zinc/90/76/44/870907644.db2.gz PFYRJQGDZOMBQY-RXVVDRJESA-N 2 1 398.547 3.898 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1OC ZINC000463111416 870907649 /nfs/dbraw/zinc/90/76/49/870907649.db2.gz PFYRJQGDZOMBQY-RXVVDRJESA-N 2 1 398.547 3.898 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1NC(C)=O ZINC000463113822 870914984 /nfs/dbraw/zinc/91/49/84/870914984.db2.gz DQNFOHSSFRYVCV-DYESRHJHSA-N 2 1 381.520 3.796 20 0 GHADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1NC(C)=O ZINC000463113822 870914994 /nfs/dbraw/zinc/91/49/94/870914994.db2.gz DQNFOHSSFRYVCV-DYESRHJHSA-N 2 1 381.520 3.796 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463129482 870943910 /nfs/dbraw/zinc/94/39/10/870943910.db2.gz CVSIQGLVHYJYPO-NFBKMPQASA-N 3 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCN1Cc1ccccc1 ZINC000463129482 870943920 /nfs/dbraw/zinc/94/39/20/870943920.db2.gz CVSIQGLVHYJYPO-NFBKMPQASA-N 2 1 381.564 3.770 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463118168 870954864 /nfs/dbraw/zinc/95/48/64/870954864.db2.gz WUZPYUQFGKODID-WIYYLYMNSA-N 2 1 383.511 3.507 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000463118168 870954873 /nfs/dbraw/zinc/95/48/73/870954873.db2.gz WUZPYUQFGKODID-WIYYLYMNSA-N 2 1 383.511 3.507 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CCCc3ccccc3)CC2)cc1 ZINC001168941305 871026509 /nfs/dbraw/zinc/02/65/09/871026509.db2.gz PSDHTHNWQODLEJ-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CCCc3ccccc3)CC2)cc1 ZINC001168941305 871026525 /nfs/dbraw/zinc/02/65/25/871026525.db2.gz PSDHTHNWQODLEJ-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CCCc3ccccc3)CC2)cc1 ZINC001168941305 871026543 /nfs/dbraw/zinc/02/65/43/871026543.db2.gz PSDHTHNWQODLEJ-UHFFFAOYSA-N 2 1 393.575 3.594 20 0 GHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463156137 871034749 /nfs/dbraw/zinc/03/47/49/871034749.db2.gz RAZWXEAMGXXSFA-ZDUSSCGKSA-N 2 1 389.297 3.779 20 0 GHADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000463156137 871034766 /nfs/dbraw/zinc/03/47/66/871034766.db2.gz RAZWXEAMGXXSFA-ZDUSSCGKSA-N 2 1 389.297 3.779 20 0 GHADMP OC[C@H](C1CC1)N(Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429696570 871043301 /nfs/dbraw/zinc/04/33/01/871043301.db2.gz IRJCVFHRQAQJLU-LOSJGSFVSA-N 2 1 394.559 3.551 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169092232 871202671 /nfs/dbraw/zinc/20/26/71/871202671.db2.gz AIEWKVJIODSNHY-ACDBMABISA-N 2 1 381.486 3.885 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169092232 871202685 /nfs/dbraw/zinc/20/26/85/871202685.db2.gz AIEWKVJIODSNHY-ACDBMABISA-N 2 1 381.486 3.885 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169092232 871202699 /nfs/dbraw/zinc/20/26/99/871202699.db2.gz AIEWKVJIODSNHY-ACDBMABISA-N 2 1 381.486 3.885 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449123837 871209987 /nfs/dbraw/zinc/20/99/87/871209987.db2.gz NZYCBUBZIHQJHX-GHTZIAJQSA-N 2 1 391.987 3.584 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131774 871222638 /nfs/dbraw/zinc/22/26/38/871222638.db2.gz YZDDADWWXBHMMI-BWTSREIZSA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131774 871222652 /nfs/dbraw/zinc/22/26/52/871222652.db2.gz YZDDADWWXBHMMI-BWTSREIZSA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131774 871222660 /nfs/dbraw/zinc/22/26/60/871222660.db2.gz YZDDADWWXBHMMI-BWTSREIZSA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131774 871222668 /nfs/dbraw/zinc/22/26/68/871222668.db2.gz YZDDADWWXBHMMI-BWTSREIZSA-N 2 1 377.573 3.867 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463241934 871247775 /nfs/dbraw/zinc/24/77/75/871247775.db2.gz FZIBWQILYJZVEZ-MALNDZBISA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463241934 871247795 /nfs/dbraw/zinc/24/77/95/871247795.db2.gz FZIBWQILYJZVEZ-MALNDZBISA-N 2 1 383.580 3.810 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C2CC2)cc1 ZINC000091288696 871269727 /nfs/dbraw/zinc/26/97/27/871269727.db2.gz VHKRPCNGQHLEQQ-XMMPIXPASA-N 2 1 379.548 3.684 20 0 GHADMP C[C@@H]1C[C@@H](N[C@H](CC(N)=O)c2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000463260313 871277893 /nfs/dbraw/zinc/27/78/93/871277893.db2.gz CEPIBEWWYCPMAJ-TYCQWZJGSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)CCN1Cc1ccccc1 ZINC000463260313 871277905 /nfs/dbraw/zinc/27/79/05/871277905.db2.gz CEPIBEWWYCPMAJ-TYCQWZJGSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001193807412 871317943 /nfs/dbraw/zinc/31/79/43/871317943.db2.gz KPQFLJVDOORGPN-CTNGQTDRSA-N 2 1 385.596 3.914 20 0 GHADMP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001169366649 871431813 /nfs/dbraw/zinc/43/18/13/871431813.db2.gz MIILPSVTKRXUMR-PNJWGLBASA-N 2 1 385.596 3.960 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000539201615 871492009 /nfs/dbraw/zinc/49/20/09/871492009.db2.gz ASQVSHCBPOOWNG-OALUTQOASA-N 2 1 381.358 3.583 20 0 GHADMP CCC(CC)(CNC(=O)c1cc(C[NH+]2CCCC2)on1)[NH2+][C@@H](C)c1ccccc1 ZINC000462069435 871519894 /nfs/dbraw/zinc/51/98/94/871519894.db2.gz GXWYUOQVSCFSKA-SFHVURJKSA-N 2 1 398.551 3.910 20 0 GHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1OCCCO ZINC000463363505 871537691 /nfs/dbraw/zinc/53/76/91/871537691.db2.gz YDTITIKOLVDNMW-WBVHZDCISA-N 2 1 399.373 3.735 20 0 GHADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cc1OCCCO ZINC000463363505 871537695 /nfs/dbraw/zinc/53/76/95/871537695.db2.gz YDTITIKOLVDNMW-WBVHZDCISA-N 2 1 399.373 3.735 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)c1ccccc1 ZINC001169496365 871552961 /nfs/dbraw/zinc/55/29/61/871552961.db2.gz JGJYFHWIWQNHPA-GPXOXTDOSA-N 2 1 391.559 3.660 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)c1ccccc1 ZINC001169496365 871552968 /nfs/dbraw/zinc/55/29/68/871552968.db2.gz JGJYFHWIWQNHPA-GPXOXTDOSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC001169539886 871617462 /nfs/dbraw/zinc/61/74/62/871617462.db2.gz KMQOEQMYYQZWEK-OIBXWCBGSA-N 2 1 379.548 3.706 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@H]2CCC[C@@H]21 ZINC000552040793 871918696 /nfs/dbraw/zinc/91/86/96/871918696.db2.gz ZAYBBDNSMFIXSH-FSSWDIPSSA-N 2 1 381.520 3.502 20 0 GHADMP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579898 871925353 /nfs/dbraw/zinc/92/53/53/871925353.db2.gz MHTPSRSJGQQTSM-UEQSERJNSA-N 2 1 389.543 3.573 20 0 GHADMP O=C1[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCN1Cc1ccccc1 ZINC000447579898 871925365 /nfs/dbraw/zinc/92/53/65/871925365.db2.gz MHTPSRSJGQQTSM-UEQSERJNSA-N 2 1 389.543 3.573 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1(C)C ZINC000552064140 871967180 /nfs/dbraw/zinc/96/71/80/871967180.db2.gz YVCHUBJYBJACTP-GOSISDBHSA-N 2 1 385.474 3.652 20 0 GHADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926629 872042944 /nfs/dbraw/zinc/04/29/44/872042944.db2.gz ZKHRFIFLTRUJAT-OAHLLOKOSA-N 2 1 384.442 3.641 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc3ccccc3c2)CC1 ZINC000766974789 872131852 /nfs/dbraw/zinc/13/18/52/872131852.db2.gz QDPCASYRRWBUCU-UHFFFAOYSA-N 2 1 397.563 3.849 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4C)CC3)C2=O)cc1 ZINC000477923420 872154211 /nfs/dbraw/zinc/15/42/11/872154211.db2.gz AGRZLKABUIPLMF-OIBXWCBGSA-N 2 1 383.580 3.729 20 0 GHADMP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000477929305 872158168 /nfs/dbraw/zinc/15/81/68/872158168.db2.gz QZNQLXZNXHHIFV-AYVPJYCDSA-N 2 1 382.523 3.619 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3c4cc(C)ccc4C[C@@H]3C)CC2)CC1 ZINC000619017381 872255397 /nfs/dbraw/zinc/25/53/97/872255397.db2.gz PPEGZBNEWAXIAQ-FDDCHVKYSA-N 2 1 383.580 3.541 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000552243541 872298355 /nfs/dbraw/zinc/29/83/55/872298355.db2.gz BGBBQEGMFCSPKM-QEJZJMRPSA-N 2 1 376.854 3.628 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1)CC(C)C ZINC000775653322 872385445 /nfs/dbraw/zinc/38/54/45/872385445.db2.gz SONFTDXACBCITO-UHFFFAOYSA-N 2 1 383.584 3.906 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(Cc3ccccc3)nn2)CC1)CC(C)C ZINC000775653322 872385458 /nfs/dbraw/zinc/38/54/58/872385458.db2.gz SONFTDXACBCITO-UHFFFAOYSA-N 2 1 383.584 3.906 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000447853938 872416104 /nfs/dbraw/zinc/41/61/04/872416104.db2.gz JMPPERJHVSBVQY-HSZRJFAPSA-N 2 1 389.547 3.545 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000093844527 872451138 /nfs/dbraw/zinc/45/11/38/872451138.db2.gz PGUBOLSRDHYPRG-IBGZPJMESA-N 2 1 381.568 3.959 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000552561046 872809576 /nfs/dbraw/zinc/80/95/76/872809576.db2.gz VDBTTWLTLYEBGF-WZONZLPQSA-N 2 1 377.532 3.722 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000552561046 872809593 /nfs/dbraw/zinc/80/95/93/872809593.db2.gz VDBTTWLTLYEBGF-WZONZLPQSA-N 2 1 377.532 3.722 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCCC2)CC1 ZINC001196040422 872849897 /nfs/dbraw/zinc/84/98/97/872849897.db2.gz WIDQSMPUJFGDHM-RBBKRZOGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCC2)CC1 ZINC001196040422 872849900 /nfs/dbraw/zinc/84/99/00/872849900.db2.gz WIDQSMPUJFGDHM-RBBKRZOGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCCC2)CC1 ZINC001196040422 872849908 /nfs/dbraw/zinc/84/99/08/872849908.db2.gz WIDQSMPUJFGDHM-RBBKRZOGSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527762354 873537056 /nfs/dbraw/zinc/53/70/56/873537056.db2.gz ZKCQMFQLGVIAQJ-WMZHIEFXSA-N 2 1 398.595 3.918 20 0 GHADMP COc1ccc(C2CCC([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000541542023 873798683 /nfs/dbraw/zinc/79/86/83/873798683.db2.gz ICBKXWQTLSFKHH-LQOCYXTFSA-N 2 1 394.559 3.948 20 0 GHADMP COc1ccc(C2CCC([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000541542023 873798691 /nfs/dbraw/zinc/79/86/91/873798691.db2.gz ICBKXWQTLSFKHH-LQOCYXTFSA-N 2 1 394.559 3.948 20 0 GHADMP COC1(C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCC1 ZINC000550882199 882763492 /nfs/dbraw/zinc/76/34/92/882763492.db2.gz KCKSNACPVCWEQW-IRLDBZIGSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448710228 873835357 /nfs/dbraw/zinc/83/53/57/873835357.db2.gz SVNDZMMXYKJJRE-SFHVURJKSA-N 2 1 389.503 3.572 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448710228 873835373 /nfs/dbraw/zinc/83/53/73/873835373.db2.gz SVNDZMMXYKJJRE-SFHVURJKSA-N 2 1 389.503 3.572 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC[C@@H]3CCCCO3)CC2)c1C ZINC000541582333 873869195 /nfs/dbraw/zinc/86/91/95/873869195.db2.gz UHXLQYRZBLVQEY-FQEVSTJZSA-N 2 1 375.557 3.562 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC[C@@H]3CCCCO3)CC2)c1C ZINC000541582333 873869209 /nfs/dbraw/zinc/86/92/09/873869209.db2.gz UHXLQYRZBLVQEY-FQEVSTJZSA-N 2 1 375.557 3.562 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000769497813 874104215 /nfs/dbraw/zinc/10/42/15/874104215.db2.gz BWZWEIFWQFBLHW-FQEVSTJZSA-N 2 1 379.589 3.831 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769525548 874134022 /nfs/dbraw/zinc/13/40/22/874134022.db2.gz IKUBNIJORIVKLX-MAUKXSAKSA-N 2 1 387.515 3.756 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769525548 874134032 /nfs/dbraw/zinc/13/40/32/874134032.db2.gz IKUBNIJORIVKLX-MAUKXSAKSA-N 2 1 387.515 3.756 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000508876046 874170946 /nfs/dbraw/zinc/17/09/46/874170946.db2.gz XFGXNZBYLKIWBG-UHFFFAOYSA-N 2 1 399.373 3.651 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192165878 882825666 /nfs/dbraw/zinc/82/56/66/882825666.db2.gz RVZWMTONDPFEJH-UHFFFAOYSA-N 2 1 388.781 3.610 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464770403 874431958 /nfs/dbraw/zinc/43/19/58/874431958.db2.gz KBRHLFJQTBSIGL-QFIPXVFZSA-N 2 1 391.575 3.704 20 0 GHADMP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1 ZINC000449083849 874436265 /nfs/dbraw/zinc/43/62/65/874436265.db2.gz DFGDQWKCWQGFQS-IBGZPJMESA-N 2 1 379.548 3.622 20 0 GHADMP C[C@H](C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081715 874464869 /nfs/dbraw/zinc/46/48/69/874464869.db2.gz HJILZBFVSOKHOS-CEXWTWQISA-N 2 1 380.598 3.541 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)OCCCCO4)c2)CCO1 ZINC000449098902 874471026 /nfs/dbraw/zinc/47/10/26/874471026.db2.gz RUZHZGAOSAYLPM-IBGZPJMESA-N 2 1 396.531 3.749 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)OCCCCO4)c2)CCO1 ZINC000449098902 874471036 /nfs/dbraw/zinc/47/10/36/874471036.db2.gz RUZHZGAOSAYLPM-IBGZPJMESA-N 2 1 396.531 3.749 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000464778488 874475916 /nfs/dbraw/zinc/47/59/16/874475916.db2.gz QJCBKPKFTQNXKX-OFNKIYASSA-N 2 1 382.548 3.757 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000464778488 874475924 /nfs/dbraw/zinc/47/59/24/874475924.db2.gz QJCBKPKFTQNXKX-OFNKIYASSA-N 2 1 382.548 3.757 20 0 GHADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449174918 874553000 /nfs/dbraw/zinc/55/30/00/874553000.db2.gz IXVCUMKIRHJERJ-SMXKYELJSA-N 2 1 376.610 3.751 20 0 GHADMP C[NH+](C)CCOc1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)ccn1 ZINC000449226496 874615947 /nfs/dbraw/zinc/61/59/47/874615947.db2.gz XOSDXVLRVHYUAS-UHFFFAOYSA-N 3 1 390.616 3.791 20 0 GHADMP C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000770379137 874620488 /nfs/dbraw/zinc/62/04/88/874620488.db2.gz KUDMZGMAMUYBPV-PKOBYXMFSA-N 2 1 391.556 3.505 20 0 GHADMP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858101010 882847681 /nfs/dbraw/zinc/84/76/81/882847681.db2.gz WMDBKZRSRCSBND-WMZOPIPTSA-N 2 1 391.556 3.723 20 0 GHADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449310278 874685537 /nfs/dbraw/zinc/68/55/37/874685537.db2.gz GBWIKUVWECXSGC-APTRMMRNSA-N 2 1 396.579 3.979 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000528561350 874707562 /nfs/dbraw/zinc/70/75/62/874707562.db2.gz ITWLQKSBMRFGOL-DHIUTWEWSA-N 2 1 385.596 3.725 20 0 GHADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561430 875051172 /nfs/dbraw/zinc/05/11/72/875051172.db2.gz UWWHFWIGXHQUSZ-DXJOGWAWSA-N 2 1 398.332 3.827 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cc1 ZINC000449580779 875053561 /nfs/dbraw/zinc/05/35/61/875053561.db2.gz UHBJWTBOOMDULV-MSOLQXFVSA-N 2 1 376.504 3.579 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000542233484 875193150 /nfs/dbraw/zinc/19/31/50/875193150.db2.gz OBOABHLZPKXIQH-DHIUTWEWSA-N 2 1 379.548 3.921 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000105443136 875297658 /nfs/dbraw/zinc/29/76/58/875297658.db2.gz IJJPBASSCCPECK-ZDUSSCGKSA-N 2 1 396.329 3.787 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000542282396 875298254 /nfs/dbraw/zinc/29/82/54/875298254.db2.gz UTXKNSXHEPZNJN-OAQYLSRUSA-N 2 1 389.971 3.594 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cnc12 ZINC000542319015 875360627 /nfs/dbraw/zinc/36/06/27/875360627.db2.gz AWNJFHWNILIGQE-UHFFFAOYSA-N 2 1 379.346 3.804 20 0 GHADMP C[C@@H](CC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccccc1 ZINC001200942507 875429631 /nfs/dbraw/zinc/42/96/31/875429631.db2.gz TTXKQNWQDFNUGP-KRWDZBQOSA-N 2 1 392.503 3.806 20 0 GHADMP CCCCC[NH+]1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001201731890 875856300 /nfs/dbraw/zinc/85/63/00/875856300.db2.gz XKAUBEGDSGBKMI-NRFANRHFSA-N 2 1 397.607 3.862 20 0 GHADMP CCC[C@H]1CCC[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450057157 875874560 /nfs/dbraw/zinc/87/45/60/875874560.db2.gz CVEZGNPHROBLQX-UNMCSNQZSA-N 2 1 377.617 3.858 20 0 GHADMP CCC[C@@H]1CCC[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450057153 875874597 /nfs/dbraw/zinc/87/45/97/875874597.db2.gz CVEZGNPHROBLQX-IRLDBZIGSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450191844 876056921 /nfs/dbraw/zinc/05/69/21/876056921.db2.gz HMQOPLKEKVBKRI-AVRDEDQJSA-N 2 1 384.568 3.520 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829309 876256389 /nfs/dbraw/zinc/25/63/89/876256389.db2.gz VFFMARMDXAFBJP-UHFFFAOYSA-N 2 1 388.943 3.654 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC000192919871 883046894 /nfs/dbraw/zinc/04/68/94/883046894.db2.gz QUCOBCQHGBLCTC-KRWDZBQOSA-N 2 1 376.447 3.908 20 0 GHADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC(F)F)c1 ZINC000192919871 883046910 /nfs/dbraw/zinc/04/69/10/883046910.db2.gz QUCOBCQHGBLCTC-KRWDZBQOSA-N 2 1 376.447 3.908 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000173748594 876606694 /nfs/dbraw/zinc/60/66/94/876606694.db2.gz RUUBPLFMPHNCIN-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP c1ccc(CC[NH+]2CCC(NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192927191 883048258 /nfs/dbraw/zinc/04/82/58/883048258.db2.gz NUWVZBIQDBZHSN-DEOSSOPVSA-N 2 1 377.576 3.805 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cc2)C1 ZINC000850358042 876848024 /nfs/dbraw/zinc/84/80/24/876848024.db2.gz ZWZNEUXOCGRPQD-INIZCTEOSA-N 2 1 382.476 3.592 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(SC(F)F)cc3)cc2)C1 ZINC000850357358 876848345 /nfs/dbraw/zinc/84/83/45/876848345.db2.gz GTRARPCAJMRADN-GOSISDBHSA-N 2 1 378.488 3.858 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174148794 876860296 /nfs/dbraw/zinc/86/02/96/876860296.db2.gz SYVDSNMMSKKMHD-LEWJYISDSA-N 2 1 398.595 3.546 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000109355901 876940008 /nfs/dbraw/zinc/94/00/08/876940008.db2.gz XYWFKNFWRQDQPE-HSZRJFAPSA-N 2 1 398.595 3.605 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)cc2)C1 ZINC000850509493 876981922 /nfs/dbraw/zinc/98/19/22/876981922.db2.gz QTCDNYULDADSBG-BJKOFHAPSA-N 2 1 380.532 3.511 20 0 GHADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)c2C1 ZINC000174547269 877085501 /nfs/dbraw/zinc/08/55/01/877085501.db2.gz HLDDVVJEMWLWFW-UHFFFAOYSA-N 2 1 392.547 3.563 20 0 GHADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)c2C1 ZINC000174547269 877085513 /nfs/dbraw/zinc/08/55/13/877085513.db2.gz HLDDVVJEMWLWFW-UHFFFAOYSA-N 2 1 392.547 3.563 20 0 GHADMP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000391813945 877305484 /nfs/dbraw/zinc/30/54/84/877305484.db2.gz DHIWXAFXMHXXRI-PHIMTYICSA-N 2 1 376.715 3.517 20 0 GHADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000391813945 877305501 /nfs/dbraw/zinc/30/55/01/877305501.db2.gz DHIWXAFXMHXXRI-PHIMTYICSA-N 2 1 376.715 3.517 20 0 GHADMP C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000551814560 877881106 /nfs/dbraw/zinc/88/11/06/877881106.db2.gz XYZSJCSEGJORFO-LJQANCHMSA-N 2 1 378.520 3.723 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000530581409 878096305 /nfs/dbraw/zinc/09/63/05/878096305.db2.gz OXUWPARVKQWGGG-QGTPRVQTSA-N 2 1 385.474 3.687 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852297377 878207665 /nfs/dbraw/zinc/20/76/65/878207665.db2.gz YMLQJHHCPVKUGQ-HXUWFJFHSA-N 2 1 390.572 3.941 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)C1CCCCC1 ZINC000615893884 878231232 /nfs/dbraw/zinc/23/12/32/878231232.db2.gz GSKBGVBSPWVZBW-GOTSBHOMSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000615893884 878231242 /nfs/dbraw/zinc/23/12/42/878231242.db2.gz GSKBGVBSPWVZBW-GOTSBHOMSA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000615893884 878231256 /nfs/dbraw/zinc/23/12/56/878231256.db2.gz GSKBGVBSPWVZBW-GOTSBHOMSA-N 2 1 398.595 3.877 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-n3cncn3)c(C)c2)CC1)CC1CC1 ZINC000537754816 878247655 /nfs/dbraw/zinc/24/76/55/878247655.db2.gz BDGZNULLMOXHEW-UHFFFAOYSA-N 2 1 381.568 3.910 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245674909 878342537 /nfs/dbraw/zinc/34/25/37/878342537.db2.gz HWJQEGRBPDFXLV-NUNAXRQHSA-N 2 1 377.532 3.510 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)[C@H](C)C1 ZINC000537943531 878558992 /nfs/dbraw/zinc/55/89/92/878558992.db2.gz QOFAETZXIMYCKE-LZJOCLMNSA-N 2 1 397.966 3.784 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC(=O)N([C@H]4C[C@H]4c4ccccc4)C3)CC2)C1 ZINC000537984785 878623751 /nfs/dbraw/zinc/62/37/51/878623751.db2.gz JEEJKBPICLYFAD-HOTKZRPMSA-N 2 1 395.591 3.776 20 0 GHADMP O=C(C=C1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000852859166 878637548 /nfs/dbraw/zinc/63/75/48/878637548.db2.gz NSHVTWJKIDGWRM-UHFFFAOYSA-N 2 1 399.535 3.508 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H](O)c2ccccn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000853063697 878783199 /nfs/dbraw/zinc/78/31/99/878783199.db2.gz FDIBHTYBEKVFNG-PKTZIBPZSA-N 2 1 379.548 3.738 20 0 GHADMP Cc1cc([C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C2CC2)ccc1F ZINC000538062027 878785748 /nfs/dbraw/zinc/78/57/48/878785748.db2.gz KKCOVJCSUACIGV-QHCPKHFHSA-N 2 1 395.522 3.763 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)cc1F ZINC000853120019 878827947 /nfs/dbraw/zinc/82/79/47/878827947.db2.gz DSRSQSRQZAFLLS-XMSQKQJNSA-N 2 1 386.486 3.890 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000789357732 878845584 /nfs/dbraw/zinc/84/55/84/878845584.db2.gz MTPFAGUUCWGART-KRWDZBQOSA-N 2 1 388.556 3.656 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000177866717 878895165 /nfs/dbraw/zinc/89/51/65/878895165.db2.gz JCIBGAKKGYBVLQ-QFIPXVFZSA-N 2 1 386.584 3.546 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000285703424 912397515 /nfs/dbraw/zinc/39/75/15/912397515.db2.gz PFRJRZCNEZIGNA-QPTUXGOLSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538261487 879105306 /nfs/dbraw/zinc/10/53/06/879105306.db2.gz VOJUTWCUKDBBNP-VWPQPMDRSA-N 2 1 385.596 3.932 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178484975 879127909 /nfs/dbraw/zinc/12/79/09/879127909.db2.gz WCDLGODCPBAZRF-GOSISDBHSA-N 2 1 397.357 3.753 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178484990 879128089 /nfs/dbraw/zinc/12/80/89/879128089.db2.gz WCDLGODCPBAZRF-SFHVURJKSA-N 2 1 397.357 3.753 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000178606716 879157145 /nfs/dbraw/zinc/15/71/45/879157145.db2.gz VVIRIJSGCOZUAB-DHIUTWEWSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1nc2ccccc2n1C ZINC000246211151 879225257 /nfs/dbraw/zinc/22/52/57/879225257.db2.gz YPIQQZZVUJSCCE-CVDCTZTESA-N 2 1 391.563 3.603 20 0 GHADMP CC(C)(C)OC(=O)NC/C=C/C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000789866890 879326132 /nfs/dbraw/zinc/32/61/32/879326132.db2.gz SSNYWZSTZXDSLN-SNAWJCMRSA-N 2 1 391.531 3.503 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246382765 879491426 /nfs/dbraw/zinc/49/14/26/879491426.db2.gz IKPGEWSNGHUUGG-PUHATCMVSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246382765 879491432 /nfs/dbraw/zinc/49/14/32/879491432.db2.gz IKPGEWSNGHUUGG-PUHATCMVSA-N 2 1 381.564 3.516 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246382765 879491437 /nfs/dbraw/zinc/49/14/37/879491437.db2.gz IKPGEWSNGHUUGG-PUHATCMVSA-N 2 1 381.564 3.516 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000246415326 879540651 /nfs/dbraw/zinc/54/06/51/879540651.db2.gz SFVZJUVCLULCEK-RMJJICAUSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246415326 879540665 /nfs/dbraw/zinc/54/06/65/879540665.db2.gz SFVZJUVCLULCEK-RMJJICAUSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246415326 879540669 /nfs/dbraw/zinc/54/06/69/879540669.db2.gz SFVZJUVCLULCEK-RMJJICAUSA-N 2 1 392.613 3.551 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)c2)cc1 ZINC000246480605 879603302 /nfs/dbraw/zinc/60/33/02/879603302.db2.gz OVQBVVAGNTWJKK-NFBKMPQASA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000246480605 879603313 /nfs/dbraw/zinc/60/33/13/879603313.db2.gz OVQBVVAGNTWJKK-NFBKMPQASA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2)cc1 ZINC000246480605 879603320 /nfs/dbraw/zinc/60/33/20/879603320.db2.gz OVQBVVAGNTWJKK-NFBKMPQASA-N 2 1 393.531 3.864 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000246494155 879619210 /nfs/dbraw/zinc/61/92/10/879619210.db2.gz SDUUGXMAGKNLFV-XUVXKRRUSA-N 2 1 378.944 3.911 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C[NH+]1CCCCC1 ZINC000246571149 879694870 /nfs/dbraw/zinc/69/48/70/879694870.db2.gz ZJFFOGPVXDNQNI-QWFCFKBJSA-N 2 1 392.613 3.552 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000531382058 879746458 /nfs/dbraw/zinc/74/64/58/879746458.db2.gz ARNBCLQVRXSZSR-FQEVSTJZSA-N 2 1 384.520 3.635 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000531382058 879746467 /nfs/dbraw/zinc/74/64/67/879746467.db2.gz ARNBCLQVRXSZSR-FQEVSTJZSA-N 2 1 384.520 3.635 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2)CC1 ZINC000493957797 879774042 /nfs/dbraw/zinc/77/40/42/879774042.db2.gz JGWPSAISNLAHFL-IRLDBZIGSA-N 2 1 384.568 3.519 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000493966373 879782664 /nfs/dbraw/zinc/78/26/64/879782664.db2.gz AEMRLFKNLMQCMB-YKSBVNFPSA-N 2 1 381.564 3.690 20 0 GHADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1cc(Br)cs1 ZINC000494027055 879836574 /nfs/dbraw/zinc/83/65/74/879836574.db2.gz LBRPNQDNQVCZTK-UHFFFAOYSA-N 2 1 386.359 3.944 20 0 GHADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cc(Br)cs1 ZINC000494027055 879836592 /nfs/dbraw/zinc/83/65/92/879836592.db2.gz LBRPNQDNQVCZTK-UHFFFAOYSA-N 2 1 386.359 3.944 20 0 GHADMP O=C(CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000246955186 879860261 /nfs/dbraw/zinc/86/02/61/879860261.db2.gz USZSMTZYMINMOM-AJSBUHFISA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000246955186 879860302 /nfs/dbraw/zinc/86/03/02/879860302.db2.gz USZSMTZYMINMOM-AJSBUHFISA-N 2 1 381.564 3.519 20 0 GHADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@H]1CCCc2ccccc21 ZINC000246955186 879860313 /nfs/dbraw/zinc/86/03/13/879860313.db2.gz USZSMTZYMINMOM-AJSBUHFISA-N 2 1 381.564 3.519 20 0 GHADMP CCc1ccccc1NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184745948 879870332 /nfs/dbraw/zinc/87/03/32/879870332.db2.gz DFOPJQCZXLQLRQ-RTBURBONSA-N 2 1 379.548 3.934 20 0 GHADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247015505 879884614 /nfs/dbraw/zinc/88/46/14/879884614.db2.gz XQKNHWGZHFKIGW-LJHODMEESA-N 2 1 399.362 3.682 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)C1 ZINC000247307312 879965554 /nfs/dbraw/zinc/96/55/54/879965554.db2.gz JHSVONDRUFFISS-GVXSCFBNSA-N 2 1 396.575 3.736 20 0 GHADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182911128 880036973 /nfs/dbraw/zinc/03/69/73/880036973.db2.gz MMDSDPLKZBJRLW-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182911128 880036991 /nfs/dbraw/zinc/03/69/91/880036991.db2.gz MMDSDPLKZBJRLW-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182911128 880037007 /nfs/dbraw/zinc/03/70/07/880037007.db2.gz MMDSDPLKZBJRLW-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOCC4CCOCC4)[C@@H]3C2)cc1 ZINC000183145091 880061644 /nfs/dbraw/zinc/06/16/44/880061644.db2.gz DILVEMTXBWBNKK-VXNXHJTFSA-N 2 1 386.580 3.710 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000643207369 912550650 /nfs/dbraw/zinc/55/06/50/912550650.db2.gz PHFCNBXFOBQGJM-DHIUTWEWSA-N 2 1 392.547 3.522 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000643207369 912550665 /nfs/dbraw/zinc/55/06/65/912550665.db2.gz PHFCNBXFOBQGJM-DHIUTWEWSA-N 2 1 392.547 3.522 20 0 GHADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677647 880307662 /nfs/dbraw/zinc/30/76/62/880307662.db2.gz DUSQWYVSOZZWMU-RTWAWAEBSA-N 2 1 385.577 3.712 20 0 GHADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677648 880308036 /nfs/dbraw/zinc/30/80/36/880308036.db2.gz DUSQWYVSOZZWMU-SFTDATJTSA-N 2 1 385.577 3.712 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000531723834 880382417 /nfs/dbraw/zinc/38/24/17/880382417.db2.gz JNIFJAFGZCRDFJ-JXFKEZNVSA-N 2 1 389.337 3.737 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000531723834 880382429 /nfs/dbraw/zinc/38/24/29/880382429.db2.gz JNIFJAFGZCRDFJ-JXFKEZNVSA-N 2 1 389.337 3.737 20 0 GHADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000453096980 880463033 /nfs/dbraw/zinc/46/30/33/880463033.db2.gz VYPXQUKAKQXCNY-ZLNRFVROSA-N 2 1 377.532 3.579 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(-c2ccccc2)nn1C ZINC000453101868 880467358 /nfs/dbraw/zinc/46/73/58/880467358.db2.gz YVFUUXOXMRYZSM-IBGZPJMESA-N 2 1 390.531 3.770 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)CC2)n[nH]1 ZINC000453214842 880631190 /nfs/dbraw/zinc/63/11/90/880631190.db2.gz IBKKVLMLXRUGAM-YTFSRNRJSA-N 2 1 393.579 3.720 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)[NH+]1CCCCC1 ZINC000556983950 881290962 /nfs/dbraw/zinc/29/09/62/881290962.db2.gz QXTJDZWKLUXKDL-QUCCMNQESA-N 2 1 393.522 3.525 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H](C)Cc3ccccc3Cl)CC2)C1 ZINC001170295892 881315617 /nfs/dbraw/zinc/31/56/17/881315617.db2.gz XDHRWQZVMJBXTN-FUHWJXTLSA-N 2 1 378.944 3.620 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)[C@H](C)C1 ZINC000858500535 883154740 /nfs/dbraw/zinc/15/47/40/883154740.db2.gz IJUPCZSHRQSMFD-WCIQWLHISA-N 2 1 397.604 3.501 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000551084319 883258247 /nfs/dbraw/zinc/25/82/47/883258247.db2.gz WQHANHLZKAJJHW-PKTZIBPZSA-N 2 1 398.595 3.918 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)C[C@H]1c1ccccc1 ZINC000551084319 883258261 /nfs/dbraw/zinc/25/82/61/883258261.db2.gz WQHANHLZKAJJHW-PKTZIBPZSA-N 2 1 398.595 3.918 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000859157079 883626715 /nfs/dbraw/zinc/62/67/15/883626715.db2.gz YDYNVDFSVYYYCJ-GXRSIYKFSA-N 2 1 396.740 3.524 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC/C=C\c3ccc(Br)cc3)C2)CC1 ZINC000609771951 883633005 /nfs/dbraw/zinc/63/30/05/883633005.db2.gz KGZAGOZQKORPBZ-MNKBLEIRSA-N 2 1 392.385 3.564 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000859212272 883664402 /nfs/dbraw/zinc/66/44/02/883664402.db2.gz MCGNPYDKOZWFIR-UHFFFAOYSA-N 2 1 389.927 3.871 20 0 GHADMP Cc1ccccc1SC[C@H](C)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000859217452 883671006 /nfs/dbraw/zinc/67/10/06/883671006.db2.gz DRBKEBBAKHJOTJ-HLAWJBBLSA-N 2 1 375.626 3.681 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000194221626 883722448 /nfs/dbraw/zinc/72/24/48/883722448.db2.gz UNONUHZOAFFKGD-NRFANRHFSA-N 2 1 398.595 3.605 20 0 GHADMP Fc1c(Cl)cccc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911715 883848025 /nfs/dbraw/zinc/84/80/25/883848025.db2.gz USHXEYHNFDVMHT-MRXNPFEDSA-N 2 1 398.869 3.718 20 0 GHADMP Fc1c(Cl)cccc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211911715 883848036 /nfs/dbraw/zinc/84/80/36/883848036.db2.gz USHXEYHNFDVMHT-MRXNPFEDSA-N 2 1 398.869 3.718 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455859105 884022235 /nfs/dbraw/zinc/02/22/35/884022235.db2.gz POBFUPPJGNGFRA-MQNAVGNWSA-N 2 1 392.547 3.878 20 0 GHADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130095288 884167406 /nfs/dbraw/zinc/16/74/06/884167406.db2.gz IDVSHSOIGJGSDF-UHFFFAOYSA-N 2 1 386.927 3.912 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000556218183 884168589 /nfs/dbraw/zinc/16/85/89/884168589.db2.gz QMYZAMZTHFEJSK-HYBUGGRVSA-N 2 1 379.548 3.523 20 0 GHADMP O=C(c1ccccc1)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000191651812 884192935 /nfs/dbraw/zinc/19/29/35/884192935.db2.gz BXACZFYLDRMQLF-UHFFFAOYSA-N 2 1 377.532 3.545 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496724 884302542 /nfs/dbraw/zinc/30/25/42/884302542.db2.gz LCHCAVMDUFBETH-UHZRXMQZSA-N 2 1 379.589 3.969 20 0 GHADMP Cc1c2[nH]ccc2ccc1[NH+]1C=CC(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)C=C1 ZINC001170496590 884324666 /nfs/dbraw/zinc/32/46/66/884324666.db2.gz UXLYGEGLCNAGQF-LRYGQEGESA-N 2 1 376.504 3.848 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177090 884382400 /nfs/dbraw/zinc/38/24/00/884382400.db2.gz LRUPSGJSAGCIDW-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177090 884382417 /nfs/dbraw/zinc/38/24/17/884382417.db2.gz LRUPSGJSAGCIDW-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177090 884382433 /nfs/dbraw/zinc/38/24/33/884382433.db2.gz LRUPSGJSAGCIDW-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCc3nc(Cl)ccc32)[C@@H](c2ccccc2)C1 ZINC000806130737 884388381 /nfs/dbraw/zinc/38/83/81/884388381.db2.gz BMJIOWZRIYRMCS-PZJWPPBQSA-N 2 1 384.955 3.691 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000495083798 884496988 /nfs/dbraw/zinc/49/69/88/884496988.db2.gz ZLMMLEXVPQRSCK-UHFFFAOYSA-N 2 1 393.482 3.645 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000130343607 884563765 /nfs/dbraw/zinc/56/37/65/884563765.db2.gz IVQVAXFOHLRNAW-ROUUACIJSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000130343607 884563770 /nfs/dbraw/zinc/56/37/70/884563770.db2.gz IVQVAXFOHLRNAW-ROUUACIJSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000460365431 885010573 /nfs/dbraw/zinc/01/05/73/885010573.db2.gz VINPYKBCRHQRPF-PMACEKPBSA-N 2 1 379.548 3.988 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000666441046 885042850 /nfs/dbraw/zinc/04/28/50/885042850.db2.gz JBIKGICRBPQHKC-HSZRJFAPSA-N 2 1 380.532 3.981 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2cnc(-c3ccccc3)n2)CC1 ZINC000117863474 885114141 /nfs/dbraw/zinc/11/41/41/885114141.db2.gz AZKSIXGFCHRZOG-UHFFFAOYSA-N 2 1 375.520 3.747 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](C)C ZINC000508881077 885224811 /nfs/dbraw/zinc/22/48/11/885224811.db2.gz MXRVJCXGXLHNPU-JBPLPALLSA-N 2 1 386.584 3.643 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000460388181 885237972 /nfs/dbraw/zinc/23/79/72/885237972.db2.gz QRRHZCKMJSRXRW-FXAWDEMLSA-N 2 1 379.504 3.845 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000460388181 885237988 /nfs/dbraw/zinc/23/79/88/885237988.db2.gz QRRHZCKMJSRXRW-FXAWDEMLSA-N 2 1 379.504 3.845 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655766287 885306683 /nfs/dbraw/zinc/30/66/83/885306683.db2.gz CNNWFTZTLSXEGS-VXKWHMMOSA-N 2 1 394.003 3.956 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000045790566 885320319 /nfs/dbraw/zinc/32/03/19/885320319.db2.gz IIRDNANVGVOGTH-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498719169 885476531 /nfs/dbraw/zinc/47/65/31/885476531.db2.gz PNVLFQICTWDGME-ACIOBRDBSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498719174 885476678 /nfs/dbraw/zinc/47/66/78/885476678.db2.gz PNVLFQICTWDGME-WWNPGLIZSA-N 2 1 398.595 3.557 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CSCCc4ccccc43)cc2)CC1 ZINC000532446861 885488395 /nfs/dbraw/zinc/48/83/95/885488395.db2.gz KQGRXAFGZKAHKI-XMMPIXPASA-N 2 1 395.616 3.944 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H]1c1ccccc1 ZINC000550643630 885690020 /nfs/dbraw/zinc/69/00/20/885690020.db2.gz AHYJSXCGZWJQGE-NOZRDPDXSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H]1c1ccccc1 ZINC000550643630 885690022 /nfs/dbraw/zinc/69/00/22/885690022.db2.gz AHYJSXCGZWJQGE-NOZRDPDXSA-N 3 1 393.575 3.568 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476388 885732210 /nfs/dbraw/zinc/73/22/10/885732210.db2.gz XUKVRFLNXXCAAB-REWPJTCUSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476388 885732228 /nfs/dbraw/zinc/73/22/28/885732228.db2.gz XUKVRFLNXXCAAB-REWPJTCUSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476388 885732247 /nfs/dbraw/zinc/73/22/47/885732247.db2.gz XUKVRFLNXXCAAB-REWPJTCUSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476388 885732252 /nfs/dbraw/zinc/73/22/52/885732252.db2.gz XUKVRFLNXXCAAB-REWPJTCUSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000532476388 885732271 /nfs/dbraw/zinc/73/22/71/885732271.db2.gz XUKVRFLNXXCAAB-REWPJTCUSA-N 2 1 387.612 3.550 20 0 GHADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000108709643 885886064 /nfs/dbraw/zinc/88/60/64/885886064.db2.gz TZRRSFALVAVVMS-DEOSSOPVSA-N 2 1 391.559 3.633 20 0 GHADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000108709643 885886071 /nfs/dbraw/zinc/88/60/71/885886071.db2.gz TZRRSFALVAVVMS-DEOSSOPVSA-N 2 1 391.559 3.633 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000495504641 885989287 /nfs/dbraw/zinc/98/92/87/885989287.db2.gz WGZKTELHCGFPSC-OALUTQOASA-N 2 1 397.567 3.813 20 0 GHADMP C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556814144 886229341 /nfs/dbraw/zinc/22/93/41/886229341.db2.gz YIXBBHKTFRERQG-FUHWJXTLSA-N 2 1 387.474 3.794 20 0 GHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000556822644 886237455 /nfs/dbraw/zinc/23/74/55/886237455.db2.gz OTTIMOGGCTVLGI-NRFANRHFSA-N 2 1 380.536 3.736 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536518375 886652789 /nfs/dbraw/zinc/65/27/89/886652789.db2.gz LTUODXUZVUHGMK-NRFANRHFSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495782989 886746630 /nfs/dbraw/zinc/74/66/30/886746630.db2.gz DRIQENCUQKDLNI-XMMPIXPASA-N 2 1 391.559 3.679 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000127472973 887063633 /nfs/dbraw/zinc/06/36/33/887063633.db2.gz JCQZYWNOEGVQBJ-GOSISDBHSA-N 2 1 394.357 3.584 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000762915624 887087701 /nfs/dbraw/zinc/08/77/01/887087701.db2.gz BHPYDDBIQGHFBG-OALUTQOASA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000762915624 887087710 /nfs/dbraw/zinc/08/77/10/887087710.db2.gz BHPYDDBIQGHFBG-OALUTQOASA-N 2 1 376.545 3.693 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703373 887720972 /nfs/dbraw/zinc/72/09/72/887720972.db2.gz JTTVIMICIVXCEL-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000809703373 887720983 /nfs/dbraw/zinc/72/09/83/887720983.db2.gz JTTVIMICIVXCEL-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000809703373 887720997 /nfs/dbraw/zinc/72/09/97/887720997.db2.gz JTTVIMICIVXCEL-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000809703373 887721003 /nfs/dbraw/zinc/72/10/03/887721003.db2.gz JTTVIMICIVXCEL-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2nc(CN3CCCCCC3)cs2)C1 ZINC000810018918 888085761 /nfs/dbraw/zinc/08/57/61/888085761.db2.gz TVIWBDYVFNGYSY-LJQANCHMSA-N 2 1 382.549 3.670 20 0 GHADMP CC(C)(C)N1CC[C@](F)(C(=O)Nc2nc(CN3CCCCCC3)cs2)C1 ZINC000810018918 888085778 /nfs/dbraw/zinc/08/57/78/888085778.db2.gz TVIWBDYVFNGYSY-LJQANCHMSA-N 2 1 382.549 3.670 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)s1 ZINC000865710114 888532849 /nfs/dbraw/zinc/53/28/49/888532849.db2.gz HSYDKMHAKFHVBY-OAHLLOKOSA-N 2 1 396.601 3.720 20 0 GHADMP CC(=O)NCC1CCC(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000866334613 888833578 /nfs/dbraw/zinc/83/35/78/888833578.db2.gz WWRXXMPXZAZUMK-UHFFFAOYSA-N 2 1 386.584 3.571 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2c(ccnc2Cl)o1 ZINC000866389528 888853388 /nfs/dbraw/zinc/85/33/88/888853388.db2.gz USXVKPWRLOCLQX-YOEHRIQHSA-N 2 1 385.895 3.899 20 0 GHADMP C[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000868181050 889337672 /nfs/dbraw/zinc/33/76/72/889337672.db2.gz NDVJTTZYAGHTIL-GUMYABAYSA-N 2 1 378.520 3.533 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000123644302 889356045 /nfs/dbraw/zinc/35/60/45/889356045.db2.gz SORQJZZVROFIQU-UHFFFAOYSA-N 2 1 387.446 3.578 20 0 GHADMP CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532966970 889402275 /nfs/dbraw/zinc/40/22/75/889402275.db2.gz DEYNUJGGYHFMRF-FQEVSTJZSA-N 2 1 375.582 3.829 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000533005616 889506167 /nfs/dbraw/zinc/50/61/67/889506167.db2.gz MYNPOMNLTUUVKL-UHFFFAOYSA-N 2 1 398.816 3.758 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc(Cl)cc1 ZINC000644545404 913356000 /nfs/dbraw/zinc/35/60/00/913356000.db2.gz SJQNLWBFWKGBDV-IBGZPJMESA-N 2 1 385.939 3.823 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000124396266 889619112 /nfs/dbraw/zinc/61/91/12/889619112.db2.gz YRKJDGPGGSIZSN-GGAORHGYSA-N 2 1 398.595 3.687 20 0 GHADMP CC(C)C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467419 889627654 /nfs/dbraw/zinc/62/76/54/889627654.db2.gz MFHWISDDQHBTFL-GGPKGHCWSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467419 889627658 /nfs/dbraw/zinc/62/76/58/889627658.db2.gz MFHWISDDQHBTFL-GGPKGHCWSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467419 889627662 /nfs/dbraw/zinc/62/76/62/889627662.db2.gz MFHWISDDQHBTFL-GGPKGHCWSA-N 2 1 379.589 3.875 20 0 GHADMP Brc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Br ZINC000124518025 889657150 /nfs/dbraw/zinc/65/71/50/889657150.db2.gz YDKBZWRCUYGIFG-LBPRGKRZSA-N 2 1 388.147 3.786 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)cn1 ZINC000811476021 889662900 /nfs/dbraw/zinc/66/29/00/889662900.db2.gz VQZRSVKZGBFFSF-SFHVURJKSA-N 2 1 387.528 3.605 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795046961 889683138 /nfs/dbraw/zinc/68/31/38/889683138.db2.gz XHEHMHOMFZYKIP-FGZHOGPDSA-N 2 1 396.535 3.609 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2c(c1)OCCO2 ZINC000124618636 889698250 /nfs/dbraw/zinc/69/82/50/889698250.db2.gz AEVIWSMUPXVYBI-OTWHNJEPSA-N 2 1 396.531 3.918 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)CC1 ZINC000533078475 889702977 /nfs/dbraw/zinc/70/29/77/889702977.db2.gz HYQPTHRWXWBGFC-UHFFFAOYSA-N 2 1 399.501 3.618 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000124730013 889739177 /nfs/dbraw/zinc/73/91/77/889739177.db2.gz VNCFEPSVMGLDJP-HXUWFJFHSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000124730013 889739187 /nfs/dbraw/zinc/73/91/87/889739187.db2.gz VNCFEPSVMGLDJP-HXUWFJFHSA-N 2 1 388.600 3.694 20 0 GHADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000124730013 889739197 /nfs/dbraw/zinc/73/91/97/889739197.db2.gz VNCFEPSVMGLDJP-HXUWFJFHSA-N 2 1 388.600 3.694 20 0 GHADMP Cc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)c1F ZINC000124884562 889803179 /nfs/dbraw/zinc/80/31/79/889803179.db2.gz JVXYXPDPTLITPJ-VQTJNVASSA-N 2 1 375.532 3.543 20 0 GHADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1C ZINC000125016740 889848175 /nfs/dbraw/zinc/84/81/75/889848175.db2.gz RXULBKKPWJCCTQ-FQEVSTJZSA-N 2 1 395.547 3.815 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000125428518 889991562 /nfs/dbraw/zinc/99/15/62/889991562.db2.gz WLEMITUXGBFIOI-UHFFFAOYSA-N 2 1 380.458 3.808 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000465537041 890028759 /nfs/dbraw/zinc/02/87/59/890028759.db2.gz GHUGCLQTSVWMHP-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000465537041 890028775 /nfs/dbraw/zinc/02/87/75/890028775.db2.gz GHUGCLQTSVWMHP-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000465537041 890028789 /nfs/dbraw/zinc/02/87/89/890028789.db2.gz GHUGCLQTSVWMHP-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000455119297 890336123 /nfs/dbraw/zinc/33/61/23/890336123.db2.gz QTNPGSSRIOOFNN-OAQYLSRUSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1c[nH+]c2cc(Br)ccn21 ZINC001170685622 890941516 /nfs/dbraw/zinc/94/15/16/890941516.db2.gz ATGFBLMCFPHPDA-LBPRGKRZSA-N 2 1 382.265 3.969 20 0 GHADMP Cc1cc(F)ccc1[C@H](O)C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000747821200 890989151 /nfs/dbraw/zinc/98/91/51/890989151.db2.gz RXJCVRZKCJBINF-IEGUWTFLSA-N 2 1 386.511 3.567 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)ON=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1C ZINC000871785244 891011346 /nfs/dbraw/zinc/01/13/46/891011346.db2.gz GXQATYUAOQTUPA-MIGBEJBISA-N 2 1 383.496 3.786 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)cc1C ZINC000871785244 891011361 /nfs/dbraw/zinc/01/13/61/891011361.db2.gz GXQATYUAOQTUPA-MIGBEJBISA-N 2 1 383.496 3.786 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)O[NH+]=C(N)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1C ZINC000871785244 891011368 /nfs/dbraw/zinc/01/13/68/891011368.db2.gz GXQATYUAOQTUPA-MIGBEJBISA-N 2 1 383.496 3.786 20 0 GHADMP C[N@@H+](CCCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)C1CC1 ZINC000872075463 891141463 /nfs/dbraw/zinc/14/14/63/891141463.db2.gz AVJUOLCBFNEFKX-LPHOPBHVSA-N 2 1 381.358 3.991 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000247969263 891404470 /nfs/dbraw/zinc/40/44/70/891404470.db2.gz ITJGTTBMFQSZJI-HUVFLSCGSA-N 2 1 378.564 3.719 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000247969263 891404475 /nfs/dbraw/zinc/40/44/75/891404475.db2.gz ITJGTTBMFQSZJI-HUVFLSCGSA-N 2 1 378.564 3.719 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581639 891441422 /nfs/dbraw/zinc/44/14/22/891441422.db2.gz OTXMWDJGNDOWME-FPOVZHCZSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581639 891441427 /nfs/dbraw/zinc/44/14/27/891441427.db2.gz OTXMWDJGNDOWME-FPOVZHCZSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000248581639 891441430 /nfs/dbraw/zinc/44/14/30/891441430.db2.gz OTXMWDJGNDOWME-FPOVZHCZSA-N 2 1 377.617 3.858 20 0 GHADMP O[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cc(F)ccc1F ZINC000813371380 891556145 /nfs/dbraw/zinc/55/61/45/891556145.db2.gz YBZQPJQPBGNGQD-JOCHJYFZSA-N 2 1 386.486 3.986 20 0 GHADMP C[C@@H](c1ccccc1Br)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497486447 891682036 /nfs/dbraw/zinc/68/20/36/891682036.db2.gz AVPORFRYHCUDIH-XNHLSEOASA-N 2 1 392.385 3.753 20 0 GHADMP O=C(C1CC1)N1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000813789628 891977284 /nfs/dbraw/zinc/97/72/84/891977284.db2.gz VVCARRPUUOIKBX-NOTZXAQLSA-N 2 1 381.564 3.563 20 0 GHADMP O=C(C[N@H+](Cc1ccc(Cl)cc1)CC1CC[NH2+]CC1)Nc1ccccc1F ZINC000262145707 892229520 /nfs/dbraw/zinc/22/95/20/892229520.db2.gz FJDDEFUEAHHOQH-UHFFFAOYSA-N 2 1 389.902 3.919 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262664056 892436005 /nfs/dbraw/zinc/43/60/05/892436005.db2.gz HYRGBVGUZUYFPJ-MSYCTHLASA-N 2 1 379.548 3.871 20 0 GHADMP C[C@@H](Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713700 892831643 /nfs/dbraw/zinc/83/16/43/892831643.db2.gz UNBWKNIGAHRKGT-TZIWHRDSSA-N 2 1 394.563 3.899 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508721171 892972042 /nfs/dbraw/zinc/97/20/42/892972042.db2.gz UCDMQYUWGZVXFQ-OYDLWJJNSA-N 2 1 387.612 3.624 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814676035 893056409 /nfs/dbraw/zinc/05/64/09/893056409.db2.gz YSCMHKAIPQAYQH-HSALFYBXSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814676035 893056428 /nfs/dbraw/zinc/05/64/28/893056428.db2.gz YSCMHKAIPQAYQH-HSALFYBXSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+]([C@H]3C[C@@H]4[C@H](C3)C4(C)C)CC2)CC1 ZINC001170767837 893216596 /nfs/dbraw/zinc/21/65/96/893216596.db2.gz RYZIKARBNNWZNP-ACDBMABISA-N 2 1 391.600 3.875 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCN(Cc4ccncc4)CC3)CC23CC3)cc1 ZINC000563120742 893374082 /nfs/dbraw/zinc/37/40/82/893374082.db2.gz GPVCTUWYFFYTDB-XMMPIXPASA-N 2 1 390.575 3.833 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCN(Cc4ccncc4)CC3)CC23CC3)cc1 ZINC000563120742 893374100 /nfs/dbraw/zinc/37/41/00/893374100.db2.gz GPVCTUWYFFYTDB-XMMPIXPASA-N 2 1 390.575 3.833 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)cc1F ZINC000459401804 893428791 /nfs/dbraw/zinc/42/87/91/893428791.db2.gz YDVRXJMMRCDCER-KRWDZBQOSA-N 2 1 394.494 3.835 20 0 GHADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000498166407 893453251 /nfs/dbraw/zinc/45/32/51/893453251.db2.gz MWEWGEUDGZOLTA-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000498166407 893453256 /nfs/dbraw/zinc/45/32/56/893453256.db2.gz MWEWGEUDGZOLTA-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000498166407 893453261 /nfs/dbraw/zinc/45/32/61/893453261.db2.gz MWEWGEUDGZOLTA-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000498166407 893453264 /nfs/dbraw/zinc/45/32/64/893453264.db2.gz MWEWGEUDGZOLTA-NRFANRHFSA-N 2 1 398.551 3.585 20 0 GHADMP Brc1cccc(OCCSCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459445894 893537830 /nfs/dbraw/zinc/53/78/30/893537830.db2.gz OBKKYGGAXDHSDD-UHFFFAOYSA-N 2 1 399.398 3.778 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CC[C@@H](C)C[C@H]2n2cncn2)C[N@H+]1Cc1ccccc1 ZINC000556119618 893833265 /nfs/dbraw/zinc/83/32/65/893833265.db2.gz BNMGGPOEURVNIH-UAAMJZOTSA-N 2 1 381.568 3.898 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(Cc3ccncc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000536829859 893939626 /nfs/dbraw/zinc/93/96/26/893939626.db2.gz AGUGXDIAGWZASZ-QPPBQGQZSA-N 2 1 392.591 3.936 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(Br)s1 ZINC000288635562 913825163 /nfs/dbraw/zinc/82/51/63/913825163.db2.gz TVKPFCMFAUDKNB-UHFFFAOYSA-N 2 1 384.343 3.526 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(-c2ccsc2)n1 ZINC000563877569 894289331 /nfs/dbraw/zinc/28/93/31/894289331.db2.gz GMBQQUAKHJJZML-SFHVURJKSA-N 2 1 378.611 3.720 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000774877230 913858892 /nfs/dbraw/zinc/85/88/92/913858892.db2.gz XAWIJJQWRQKIRW-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)C[N@H+](C)C(C)C)cc1)C[C@@H]1CCCCO1 ZINC000537120370 894341156 /nfs/dbraw/zinc/34/11/56/894341156.db2.gz KUEBRKYAEOHXTF-NRFANRHFSA-N 2 1 375.557 3.745 20 0 GHADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000537120370 894341170 /nfs/dbraw/zinc/34/11/70/894341170.db2.gz KUEBRKYAEOHXTF-NRFANRHFSA-N 2 1 375.557 3.745 20 0 GHADMP CC(C)[NH+](C)CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000537120370 894341180 /nfs/dbraw/zinc/34/11/80/894341180.db2.gz KUEBRKYAEOHXTF-NRFANRHFSA-N 2 1 375.557 3.745 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574976 894398795 /nfs/dbraw/zinc/39/87/95/894398795.db2.gz YQPLPSZAEJTZMG-PMACEKPBSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574976 894398812 /nfs/dbraw/zinc/39/88/12/894398812.db2.gz YQPLPSZAEJTZMG-PMACEKPBSA-N 2 1 392.609 3.786 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCC4(CCOCC4)CO3)C2)s1 ZINC000878574976 894398829 /nfs/dbraw/zinc/39/88/29/894398829.db2.gz YQPLPSZAEJTZMG-PMACEKPBSA-N 2 1 392.609 3.786 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](C[C@@H]4CCC5(CCOCC5)O4)C3)CC2)cc1 ZINC000878648720 894483667 /nfs/dbraw/zinc/48/36/67/894483667.db2.gz STQUDUBCJYEISH-QFIPXVFZSA-N 2 1 384.564 3.703 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000645467494 913918657 /nfs/dbraw/zinc/91/86/57/913918657.db2.gz CLTODBXUELKCTH-NKKJXINNSA-N 2 1 387.531 3.658 20 0 GHADMP c1nnn(-c2ccccc2)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000645467494 913918666 /nfs/dbraw/zinc/91/86/66/913918666.db2.gz CLTODBXUELKCTH-NKKJXINNSA-N 2 1 387.531 3.658 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000565312984 895524685 /nfs/dbraw/zinc/52/46/85/895524685.db2.gz ZMSCKXFRMPGPSA-DJPFJPOOSA-N 2 1 392.465 3.680 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)C[C@@H]1c1ccccc1 ZINC000565312984 895524696 /nfs/dbraw/zinc/52/46/96/895524696.db2.gz ZMSCKXFRMPGPSA-DJPFJPOOSA-N 2 1 392.465 3.680 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2c(C)nsc2C)CC1 ZINC000565342601 895548616 /nfs/dbraw/zinc/54/86/16/895548616.db2.gz ZIGGTIZDEVJBIF-CQSZACIVSA-N 2 1 376.545 3.892 20 0 GHADMP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](CC[C@H]2CC[NH2+]C2)C3)cc1 ZINC000565412573 895608176 /nfs/dbraw/zinc/60/81/76/895608176.db2.gz JRGBPCNDHZTASP-GOSISDBHSA-N 2 1 378.520 3.997 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000565775111 895867396 /nfs/dbraw/zinc/86/73/96/895867396.db2.gz HDWIJZDZUJKHHP-HNAYVOBHSA-N 2 1 398.378 3.506 20 0 GHADMP C[C@]1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000817926953 895949949 /nfs/dbraw/zinc/94/99/49/895949949.db2.gz AHRYNABLVSUTGA-QLBJFCOMSA-N 3 1 391.559 3.744 20 0 GHADMP C[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000817926953 895949958 /nfs/dbraw/zinc/94/99/58/895949958.db2.gz AHRYNABLVSUTGA-QLBJFCOMSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000817926953 895949965 /nfs/dbraw/zinc/94/99/65/895949965.db2.gz AHRYNABLVSUTGA-QLBJFCOMSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@]1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCN(Cc2ccccc2)C1 ZINC000817926953 895949971 /nfs/dbraw/zinc/94/99/71/895949971.db2.gz AHRYNABLVSUTGA-QLBJFCOMSA-N 2 1 391.559 3.744 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000817893273 895950839 /nfs/dbraw/zinc/95/08/39/895950839.db2.gz QVDTZRSSRYGUFM-ZHALLVOQSA-N 2 1 377.548 3.748 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1)C[C@H]1CCCCO1 ZINC000565959186 896010391 /nfs/dbraw/zinc/01/03/91/896010391.db2.gz KULRJKHZRMTVHE-SIKLNZKXSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1)C[C@H]1CCCCO1 ZINC000565959186 896010402 /nfs/dbraw/zinc/01/04/02/896010402.db2.gz KULRJKHZRMTVHE-SIKLNZKXSA-N 2 1 387.568 3.745 20 0 GHADMP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245035 896196908 /nfs/dbraw/zinc/19/69/08/896196908.db2.gz XXJMJELXAJSMNA-JQVVWYNYSA-N 2 1 381.495 3.827 20 0 GHADMP OCC1([NH2+]CC2CC2)CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000566306166 896228657 /nfs/dbraw/zinc/22/86/57/896228657.db2.gz IKJDZTNTTQVFKJ-HNQUOIGGSA-N 2 1 393.369 3.679 20 0 GHADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1Cl ZINC000818962928 896268322 /nfs/dbraw/zinc/26/83/22/896268322.db2.gz AZBNSYGVJHDGQZ-VBQJREDUSA-N 2 1 387.749 3.526 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000818980604 896300192 /nfs/dbraw/zinc/30/01/92/896300192.db2.gz MOWNHQYQGINGIK-DYVFJYSZSA-N 2 1 389.765 3.632 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000566430950 896308749 /nfs/dbraw/zinc/30/87/49/896308749.db2.gz MPBGNQZYMQRWQM-INIZCTEOSA-N 2 1 393.522 3.681 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccccc3Cl)CC2)cs1 ZINC000819048727 896341017 /nfs/dbraw/zinc/34/10/17/896341017.db2.gz ANJIZONITYQMEM-IBGZPJMESA-N 2 1 393.984 3.894 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC000819016409 896351313 /nfs/dbraw/zinc/35/13/13/896351313.db2.gz YVYZKKIKGTYYGR-GHTZIAJQSA-N 2 1 392.465 3.893 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000819190318 896460358 /nfs/dbraw/zinc/46/03/58/896460358.db2.gz OCLSBQPVTXSRSC-QMHWCDLVSA-N 2 1 398.547 3.628 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778552859 896568695 /nfs/dbraw/zinc/56/86/95/896568695.db2.gz KSVPWXAOZKKVCN-JLMWRMLUSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778552859 896568703 /nfs/dbraw/zinc/56/87/03/896568703.db2.gz KSVPWXAOZKKVCN-JLMWRMLUSA-N 2 1 397.950 3.946 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@]3(C)c3ccccc3)CC2)CC1 ZINC000882024156 896620845 /nfs/dbraw/zinc/62/08/45/896620845.db2.gz QOOZGTSJZSOPED-XMMPIXPASA-N 2 1 383.580 3.721 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1cnc(C2OCCO2)s1 ZINC000289216404 914091282 /nfs/dbraw/zinc/09/12/82/914091282.db2.gz JAZCUFRHPADGNU-INIZCTEOSA-N 2 1 387.549 3.853 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289216404 914091288 /nfs/dbraw/zinc/09/12/88/914091288.db2.gz JAZCUFRHPADGNU-INIZCTEOSA-N 2 1 387.549 3.853 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000289216404 914091297 /nfs/dbraw/zinc/09/12/97/914091297.db2.gz JAZCUFRHPADGNU-INIZCTEOSA-N 2 1 387.549 3.853 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252687 896907272 /nfs/dbraw/zinc/90/72/72/896907272.db2.gz NOHVVVHGKFLDDC-MZKRTTBSSA-N 2 1 385.596 3.901 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252687 896907290 /nfs/dbraw/zinc/90/72/90/896907290.db2.gz NOHVVVHGKFLDDC-MZKRTTBSSA-N 2 1 385.596 3.901 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252687 896907304 /nfs/dbraw/zinc/90/73/04/896907304.db2.gz NOHVVVHGKFLDDC-MZKRTTBSSA-N 2 1 385.596 3.901 20 0 GHADMP C[C@H]1COCCN1CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939838 897019422 /nfs/dbraw/zinc/01/94/22/897019422.db2.gz XZAPVMHIVDVRBP-WIOPSUGQSA-N 2 1 399.623 3.864 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc4cccnc4o3)CC2)c1C ZINC000567336429 897071389 /nfs/dbraw/zinc/07/13/89/897071389.db2.gz LBBGGGZDEBPPCJ-UHFFFAOYSA-N 2 1 394.519 3.945 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc4cccnc4o3)CC2)c1C ZINC000567336429 897071401 /nfs/dbraw/zinc/07/14/01/897071401.db2.gz LBBGGGZDEBPPCJ-UHFFFAOYSA-N 2 1 394.519 3.945 20 0 GHADMP Brc1ccc(-c2cnc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000567504974 897208886 /nfs/dbraw/zinc/20/88/86/897208886.db2.gz IDAVQTJFZHKVHM-HOTGVXAUSA-N 2 1 390.325 3.926 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001136343049 897353534 /nfs/dbraw/zinc/35/35/34/897353534.db2.gz LNXGLHUXRSDELV-UHFFFAOYSA-N 2 1 379.548 3.828 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000567895293 897475692 /nfs/dbraw/zinc/47/56/92/897475692.db2.gz CAUVOGYDICCZHE-VXKWHMMOSA-N 2 1 377.532 3.541 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(-c4ccccc4F)n3)CC2)C1 ZINC000568274523 897708109 /nfs/dbraw/zinc/70/81/09/897708109.db2.gz HBWQKMYUBZDFRS-BEFAXECRSA-N 2 1 375.513 3.668 20 0 GHADMP CC(C)c1sc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)nc1-c1ccccc1 ZINC000568392503 897803545 /nfs/dbraw/zinc/80/35/45/897803545.db2.gz FFGMVEFMQGQGCK-OAHLLOKOSA-N 2 1 386.565 3.931 20 0 GHADMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001136507679 898095223 /nfs/dbraw/zinc/09/52/23/898095223.db2.gz UVJQRPXLZSLMJC-BBWFWOEESA-N 2 1 399.501 3.857 20 0 GHADMP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000569201582 898421766 /nfs/dbraw/zinc/42/17/66/898421766.db2.gz VOQVVHJVFSVOLT-HKUYNNGSSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000569201582 898421772 /nfs/dbraw/zinc/42/17/72/898421772.db2.gz VOQVVHJVFSVOLT-HKUYNNGSSA-N 2 1 377.492 3.675 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000569244835 898462314 /nfs/dbraw/zinc/46/23/14/898462314.db2.gz AJTDZKQOJVFEHT-JTAQYXEDSA-N 2 1 397.588 3.665 20 0 GHADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106293 914259668 /nfs/dbraw/zinc/25/96/68/914259668.db2.gz ZTCDFKLVMQYKEK-IBGZPJMESA-N 2 1 393.531 3.797 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000112545908 898891746 /nfs/dbraw/zinc/89/17/46/898891746.db2.gz ZDQOYUYBUPAPQX-QAPCUYQASA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1F ZINC000112545908 898891761 /nfs/dbraw/zinc/89/17/61/898891761.db2.gz ZDQOYUYBUPAPQX-QAPCUYQASA-N 2 1 387.474 3.513 20 0 GHADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000569768243 898937481 /nfs/dbraw/zinc/93/74/81/898937481.db2.gz MXIDCLQGSBITDH-NRFANRHFSA-N 2 1 397.567 3.662 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCCN1Cc1ccccc1 ZINC001136832228 899441485 /nfs/dbraw/zinc/44/14/85/899441485.db2.gz FAZSPDRZQLEAMJ-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001136832228 899441489 /nfs/dbraw/zinc/44/14/89/899441489.db2.gz FAZSPDRZQLEAMJ-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001136832228 899441498 /nfs/dbraw/zinc/44/14/98/899441498.db2.gz FAZSPDRZQLEAMJ-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001136832228 899441504 /nfs/dbraw/zinc/44/15/04/899441504.db2.gz FAZSPDRZQLEAMJ-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001136832228 899441511 /nfs/dbraw/zinc/44/15/11/899441511.db2.gz FAZSPDRZQLEAMJ-RPWUZVMVSA-N 2 1 391.559 3.822 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000570857905 899644892 /nfs/dbraw/zinc/64/48/92/899644892.db2.gz IXXLGMKVTAYVIW-SAPNQHFASA-N 2 1 380.479 3.926 20 0 GHADMP CN(c1ccccc1C[NH2+]Cc1cc(F)cnc1Cl)C1CC[NH+](C)CC1 ZINC000824538775 899700159 /nfs/dbraw/zinc/70/01/59/899700159.db2.gz SFCYPHWSXUXMBQ-UHFFFAOYSA-N 2 1 376.907 3.694 20 0 GHADMP Fc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000571091526 899737995 /nfs/dbraw/zinc/73/79/95/899737995.db2.gz AHDKBFLHQIJXGK-NRFANRHFSA-N 2 1 393.510 3.798 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000571109634 899743029 /nfs/dbraw/zinc/74/30/29/899743029.db2.gz JYPZNGZPQBDRJP-JRGCBEDISA-N 2 1 378.582 3.506 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571303454 899821266 /nfs/dbraw/zinc/82/12/66/899821266.db2.gz BZAQNDSLPAFQRX-DVECYGJZSA-N 2 1 392.547 3.514 20 0 GHADMP CC1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCCCCC1 ZINC000824823716 899846527 /nfs/dbraw/zinc/84/65/27/899846527.db2.gz ODSYAORGNMZVHP-UHFFFAOYSA-N 2 1 382.556 3.781 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cncc(Cl)c1)CC2 ZINC001136990596 899985544 /nfs/dbraw/zinc/98/55/44/899985544.db2.gz ATKNIZVWCSRMKS-SFHVURJKSA-N 2 1 375.900 3.584 20 0 GHADMP C[C@@H](c1ccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000572281962 900125900 /nfs/dbraw/zinc/12/59/00/900125900.db2.gz XXUCJLHKPGMKCC-LAUBAEHRSA-N 2 1 381.520 3.745 20 0 GHADMP COc1cc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2cc1Br ZINC000572513730 900210562 /nfs/dbraw/zinc/21/05/62/900210562.db2.gz CJWJSNCKJNNFQW-CYBMUJFWSA-N 2 1 376.298 3.680 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)N(C)Cc3ccccc3)C2)s1 ZINC000573312505 900462198 /nfs/dbraw/zinc/46/21/98/900462198.db2.gz HGVWMTCHOQHXDY-PZJWPPBQSA-N 2 1 399.604 3.857 20 0 GHADMP COc1c(F)cc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1Cl ZINC001143840146 900610020 /nfs/dbraw/zinc/61/00/20/900610020.db2.gz SUSGRFWLAIBWIK-UHFFFAOYSA-N 2 1 384.923 3.812 20 0 GHADMP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1OC(F)(F)F ZINC001143879453 900662340 /nfs/dbraw/zinc/66/23/40/900662340.db2.gz LIYGFCLTLYELHX-UHFFFAOYSA-N 2 1 381.398 3.619 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC4(CCCCC4)C3)CC2)oc1C ZINC000885980331 900665370 /nfs/dbraw/zinc/66/53/70/900665370.db2.gz YXQZDVMBSAZEBY-FQEVSTJZSA-N 2 1 375.557 3.975 20 0 GHADMP Clc1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCC4)n3CC1)C2 ZINC001171123872 900870679 /nfs/dbraw/zinc/87/06/79/900870679.db2.gz XPAQCXPPUVUMCC-HXUWFJFHSA-N 2 1 384.955 3.548 20 0 GHADMP C[NH+]1CC2(C1)CC[NH+](Cc1cc(Br)cc(OC(F)(F)F)c1)CC2 ZINC001144016437 900932710 /nfs/dbraw/zinc/93/27/10/900932710.db2.gz CUDCPJJJWNIDDG-UHFFFAOYSA-N 2 1 393.247 3.875 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000574905355 901047060 /nfs/dbraw/zinc/04/70/60/901047060.db2.gz OBOJNBOKESNZLL-UHFFFAOYSA-N 2 1 392.547 3.708 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000886504168 901092614 /nfs/dbraw/zinc/09/26/14/901092614.db2.gz TYRSVZCBKUPCBF-PXNSSMCTSA-N 2 1 396.535 3.526 20 0 GHADMP CCc1cc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc(CC)c1O ZINC001144141360 901119894 /nfs/dbraw/zinc/11/98/94/901119894.db2.gz FSFVWOIZJXTNIX-VWNXMTODSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc(CC)c1O ZINC001144141360 901119899 /nfs/dbraw/zinc/11/98/99/901119899.db2.gz FSFVWOIZJXTNIX-VWNXMTODSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)cc(CC)c1O ZINC001144141360 901119905 /nfs/dbraw/zinc/11/99/05/901119905.db2.gz FSFVWOIZJXTNIX-VWNXMTODSA-N 2 1 386.580 3.697 20 0 GHADMP CCc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)cc(CC)c1O ZINC001144141360 901119910 /nfs/dbraw/zinc/11/99/10/901119910.db2.gz FSFVWOIZJXTNIX-VWNXMTODSA-N 2 1 386.580 3.697 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000886541135 901141378 /nfs/dbraw/zinc/14/13/78/901141378.db2.gz RAMSUNLONDHGDS-WDSOQIARSA-N 2 1 378.442 3.588 20 0 GHADMP FC(F)(F)Cn1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886541135 901141389 /nfs/dbraw/zinc/14/13/89/901141389.db2.gz RAMSUNLONDHGDS-WDSOQIARSA-N 2 1 378.442 3.588 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3cc[nH]c3n1)CC2 ZINC001144176815 901197201 /nfs/dbraw/zinc/19/72/01/901197201.db2.gz MAFBJTBAMWLFMA-IBGZPJMESA-N 2 1 396.560 3.880 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575735752 901265921 /nfs/dbraw/zinc/26/59/21/901265921.db2.gz LEHNXHDKXCHQJW-HSZRJFAPSA-N 2 1 379.548 3.667 20 0 GHADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000575805141 901320257 /nfs/dbraw/zinc/32/02/57/901320257.db2.gz HWPQZCRUWZWCKK-OXQOHEQNSA-N 2 1 387.549 3.537 20 0 GHADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000575805139 901321260 /nfs/dbraw/zinc/32/12/60/901321260.db2.gz HWPQZCRUWZWCKK-OXJNMPFZSA-N 2 1 387.549 3.537 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576000506 901570865 /nfs/dbraw/zinc/57/08/65/901570865.db2.gz CIFCERACIBFRFP-OFNKIYASSA-N 2 1 391.559 3.850 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+]([C@@H]1CCc3cc(Cl)c(Cl)cc3C1)CC2 ZINC001171159403 901730129 /nfs/dbraw/zinc/73/01/29/901730129.db2.gz BERSMPKKTTZDHX-OAHLLOKOSA-N 2 1 382.335 3.981 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)c1 ZINC000123875696 901992688 /nfs/dbraw/zinc/99/26/88/901992688.db2.gz VSHKXTXUZSHQKL-QGZVFWFLSA-N 2 1 399.535 3.662 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000123944369 902001809 /nfs/dbraw/zinc/00/18/09/902001809.db2.gz SQVLVZNUJAAXTC-OAHLLOKOSA-N 2 1 378.513 3.532 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000576707296 902206960 /nfs/dbraw/zinc/20/69/60/902206960.db2.gz LIRMMEMQNNJGFZ-UNMCSNQZSA-N 2 1 385.577 3.647 20 0 GHADMP C[C@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000845953407 902527433 /nfs/dbraw/zinc/52/74/33/902527433.db2.gz HUFUAGCYJYFMSF-BKVYNOPKSA-N 2 1 379.589 3.922 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000846064647 902678654 /nfs/dbraw/zinc/67/86/54/902678654.db2.gz HSIIKKGQSROQLH-FXAWDEMLSA-N 2 1 375.557 3.873 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000846064647 902678658 /nfs/dbraw/zinc/67/86/58/902678658.db2.gz HSIIKKGQSROQLH-FXAWDEMLSA-N 2 1 375.557 3.873 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)s1 ZINC000846100851 902712997 /nfs/dbraw/zinc/71/29/97/902712997.db2.gz UYDYFHUSQDMXHS-UTKZUKDTSA-N 2 1 395.588 3.549 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)C2)s1 ZINC000846100851 902713012 /nfs/dbraw/zinc/71/30/12/902713012.db2.gz UYDYFHUSQDMXHS-UTKZUKDTSA-N 2 1 395.588 3.549 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)s1 ZINC000846100851 902713025 /nfs/dbraw/zinc/71/30/25/902713025.db2.gz UYDYFHUSQDMXHS-UTKZUKDTSA-N 2 1 395.588 3.549 20 0 GHADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cn2ccccc2n1 ZINC000577370746 902718090 /nfs/dbraw/zinc/71/80/90/902718090.db2.gz FCQUDZRKBJLRMI-NRFANRHFSA-N 2 1 391.563 3.583 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000846227328 902802401 /nfs/dbraw/zinc/80/24/01/902802401.db2.gz NXAIOEXBSSTMKW-YMPZKCBVSA-N 2 1 393.531 3.653 20 0 GHADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C2 ZINC000577684329 903045593 /nfs/dbraw/zinc/04/55/93/903045593.db2.gz YAKNWZNVBWGKHH-GOSISDBHSA-N 2 1 386.584 3.895 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)cc2Br)CC1 ZINC000577799504 903208795 /nfs/dbraw/zinc/20/87/95/903208795.db2.gz JCIYUNQYLZVCPI-UHFFFAOYSA-N 2 1 399.373 3.781 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000772957634 903284906 /nfs/dbraw/zinc/28/49/06/903284906.db2.gz QIHPJUYDNMUKFP-GOSISDBHSA-N 2 1 376.545 3.886 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000772957634 903284917 /nfs/dbraw/zinc/28/49/17/903284917.db2.gz QIHPJUYDNMUKFP-GOSISDBHSA-N 2 1 376.545 3.886 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000772957634 903284923 /nfs/dbraw/zinc/28/49/23/903284923.db2.gz QIHPJUYDNMUKFP-GOSISDBHSA-N 2 1 376.545 3.886 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846926399 903310117 /nfs/dbraw/zinc/31/01/17/903310117.db2.gz WHWGLQITVFFEBL-RTBURBONSA-N 2 1 390.572 3.712 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846926399 903310129 /nfs/dbraw/zinc/31/01/29/903310129.db2.gz WHWGLQITVFFEBL-RTBURBONSA-N 2 1 390.572 3.712 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccnn3[C@H](C)CC(C)C)CC2)CC1 ZINC000577962306 903389047 /nfs/dbraw/zinc/38/90/47/903389047.db2.gz QJGXXHYWCDHKBX-GOSISDBHSA-N 2 1 389.588 3.625 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000601237073 903494183 /nfs/dbraw/zinc/49/41/83/903494183.db2.gz ZNTRJYGPZDINFC-UGKGYDQZSA-N 2 1 386.584 3.591 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000578334193 903744638 /nfs/dbraw/zinc/74/46/38/903744638.db2.gz CIRHJHRDMPUHLG-LJQANCHMSA-N 2 1 375.900 3.522 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000779073169 903903965 /nfs/dbraw/zinc/90/39/65/903903965.db2.gz LJFOFKYGSUYEBO-PBASOCQRSA-N 2 1 387.568 3.852 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC[N@H+]1C ZINC000779073169 903903976 /nfs/dbraw/zinc/90/39/76/903903976.db2.gz LJFOFKYGSUYEBO-PBASOCQRSA-N 2 1 387.568 3.852 20 0 GHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000578769292 904106545 /nfs/dbraw/zinc/10/65/45/904106545.db2.gz PMATWKQMHJKWIN-HZPDHXFCSA-N 2 1 378.442 3.917 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CCc1ccc(F)cc1Cl ZINC000578943066 904241394 /nfs/dbraw/zinc/24/13/94/904241394.db2.gz ASLXFUVWSWJTOT-HXUWFJFHSA-N 2 1 376.903 3.768 20 0 GHADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cnn1-c1ccccc1 ZINC000773068648 904411947 /nfs/dbraw/zinc/41/19/47/904411947.db2.gz KZHXSDHZZKYVSM-RTFZILSDSA-N 2 1 382.552 3.599 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171386263 904452700 /nfs/dbraw/zinc/45/27/00/904452700.db2.gz YMTNEMWTBCMCFR-OAQYLSRUSA-N 2 1 393.566 3.952 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3Cl)cc2)CC1 ZINC000290842233 914839589 /nfs/dbraw/zinc/83/95/89/914839589.db2.gz IZNOLRAYZMUWTL-UHFFFAOYSA-N 2 1 380.319 3.635 20 0 GHADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1c1ccccc1Cl ZINC000543770027 914840569 /nfs/dbraw/zinc/84/05/69/914840569.db2.gz NLNKAGIJQZSOGK-KRWDZBQOSA-N 2 1 375.944 3.832 20 0 GHADMP COc1ccc(N2C[C@]3(CC[N@H+](C4CC(C)(C)[NH+](C)C(C)(C)C4)C3)CC2=O)cc1 ZINC001171635426 904924366 /nfs/dbraw/zinc/92/43/66/904924366.db2.gz ZLECJISZJVEFNJ-XMMPIXPASA-N 2 1 399.579 3.775 20 0 GHADMP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC001171730364 904956924 /nfs/dbraw/zinc/95/69/24/904956924.db2.gz XUHFDCYHIDMDMJ-PXNSSMCTSA-N 2 1 394.519 3.535 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CN1Cc1ccccc1 ZINC001171750119 904977440 /nfs/dbraw/zinc/97/74/40/904977440.db2.gz JTUXCOMOHIDNAW-BAGYTPMASA-N 2 1 385.596 3.661 20 0 GHADMP Cc1nc(C[NH+]2CCC3(CN([C@@H]4C[C@@H](C)[N@@H+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755595 904988755 /nfs/dbraw/zinc/98/87/55/904988755.db2.gz MZECEXMAKRQKFV-XMSQKQJNSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[NH+]2CCC3(CN([C@@H]4C[C@@H](C)[N@H+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755595 904988762 /nfs/dbraw/zinc/98/87/62/904988762.db2.gz MZECEXMAKRQKFV-XMSQKQJNSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[N@H+]2CCC3(CN([C@@H]4C[C@@H](C)[NH+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755595 904988770 /nfs/dbraw/zinc/98/87/70/904988770.db2.gz MZECEXMAKRQKFV-XMSQKQJNSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[N@@H+]2CCC3(CN([C@@H]4C[C@@H](C)[NH+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755595 904988782 /nfs/dbraw/zinc/98/87/82/904988782.db2.gz MZECEXMAKRQKFV-XMSQKQJNSA-N 2 1 396.604 3.622 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[NH+](Cc3ccc(F)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171761727 904997304 /nfs/dbraw/zinc/99/73/04/904997304.db2.gz GAXPYVADEWHUDP-HYBUGGRVSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C[NH+]1Cc1ccccc1 ZINC001171761727 904997320 /nfs/dbraw/zinc/99/73/20/904997320.db2.gz GAXPYVADEWHUDP-HYBUGGRVSA-N 2 1 381.539 3.996 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C[NH+]1Cc1ccccc1 ZINC001171761727 904997333 /nfs/dbraw/zinc/99/73/33/904997333.db2.gz GAXPYVADEWHUDP-HYBUGGRVSA-N 2 1 381.539 3.996 20 0 GHADMP COc1cccc(CC2([NH3+])CCN([C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171740638 905029001 /nfs/dbraw/zinc/02/90/01/905029001.db2.gz TUUNQEWBLJUHFJ-OFNKIYASSA-N 2 1 393.575 3.694 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171964022 905171371 /nfs/dbraw/zinc/17/13/71/905171371.db2.gz JTCRLEGFPDWLKS-HXUWFJFHSA-N 2 1 387.568 3.886 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171978148 905225492 /nfs/dbraw/zinc/22/54/92/905225492.db2.gz WSKVVZJVHHRSTC-QFIPXVFZSA-N 2 1 379.548 3.957 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978148 905225506 /nfs/dbraw/zinc/22/55/06/905225506.db2.gz WSKVVZJVHHRSTC-QFIPXVFZSA-N 2 1 379.548 3.957 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)cn21 ZINC001171980505 905231327 /nfs/dbraw/zinc/23/13/27/905231327.db2.gz RJTHKQQMENLEPR-FQEVSTJZSA-N 2 1 377.536 3.825 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)cn21 ZINC001171980505 905231340 /nfs/dbraw/zinc/23/13/40/905231340.db2.gz RJTHKQQMENLEPR-FQEVSTJZSA-N 2 1 377.536 3.825 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987019 905247658 /nfs/dbraw/zinc/24/76/58/905247658.db2.gz OVCGTUVAOLWFJT-YADHBBJMSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987019 905247679 /nfs/dbraw/zinc/24/76/79/905247679.db2.gz OVCGTUVAOLWFJT-YADHBBJMSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987019 905247697 /nfs/dbraw/zinc/24/76/97/905247697.db2.gz OVCGTUVAOLWFJT-YADHBBJMSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@H](NC(=O)C3CCC3)C2)CC[NH+]1Cc1ccccc1 ZINC001171987019 905247713 /nfs/dbraw/zinc/24/77/13/905247713.db2.gz OVCGTUVAOLWFJT-YADHBBJMSA-N 2 1 383.580 3.810 20 0 GHADMP O=C(C1CCC1)N1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172076451 905286656 /nfs/dbraw/zinc/28/66/56/905286656.db2.gz YSLSVPKDPCPDDY-UBRQYEGLSA-N 2 1 395.591 3.907 20 0 GHADMP O=C(C1CCC1)N1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172076451 905286671 /nfs/dbraw/zinc/28/66/71/905286671.db2.gz YSLSVPKDPCPDDY-UBRQYEGLSA-N 2 1 395.591 3.907 20 0 GHADMP O=C(C1CCC1)N1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076451 905286683 /nfs/dbraw/zinc/28/66/83/905286683.db2.gz YSLSVPKDPCPDDY-UBRQYEGLSA-N 2 1 395.591 3.907 20 0 GHADMP O=C(C1CCC1)N1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076451 905286698 /nfs/dbraw/zinc/28/66/98/905286698.db2.gz YSLSVPKDPCPDDY-UBRQYEGLSA-N 2 1 395.591 3.907 20 0 GHADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCC1 ZINC001172078048 905291045 /nfs/dbraw/zinc/29/10/45/905291045.db2.gz XEWPKLCNGRZBSN-BJESRGMDSA-N 2 1 383.580 3.809 20 0 GHADMP CN1C(=O)CC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)CC[C@H]21 ZINC001172087754 905302739 /nfs/dbraw/zinc/30/27/39/905302739.db2.gz LNQODXVHPIHOLQ-XNBWIAOKSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)CC[C@H]21 ZINC001172087754 905302755 /nfs/dbraw/zinc/30/27/55/905302755.db2.gz LNQODXVHPIHOLQ-XNBWIAOKSA-N 2 1 381.564 3.515 20 0 GHADMP CN1C(=O)CC[C@@H]2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[C@H]21 ZINC001172087754 905302771 /nfs/dbraw/zinc/30/27/71/905302771.db2.gz LNQODXVHPIHOLQ-XNBWIAOKSA-N 2 1 381.564 3.515 20 0 GHADMP Cc1ccnc(O[C@H]2CC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001172090697 905309192 /nfs/dbraw/zinc/30/91/92/905309192.db2.gz WCTJZRJCHNMSQD-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001172090697 905309242 /nfs/dbraw/zinc/30/92/42/905309242.db2.gz WCTJZRJCHNMSQD-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001172090697 905309259 /nfs/dbraw/zinc/30/92/59/905309259.db2.gz WCTJZRJCHNMSQD-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172066846 905330051 /nfs/dbraw/zinc/33/00/51/905330051.db2.gz NFCFSCQVYBOBNV-YCAMKHIRSA-N 2 1 395.591 3.953 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cn21 ZINC001172065461 905330169 /nfs/dbraw/zinc/33/01/69/905330169.db2.gz MEAPXJNPIXAPLF-KOUNCHBCSA-N 2 1 389.547 3.967 20 0 GHADMP CCc1nnc2ccc(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cn21 ZINC001172065461 905330180 /nfs/dbraw/zinc/33/01/80/905330180.db2.gz MEAPXJNPIXAPLF-KOUNCHBCSA-N 2 1 389.547 3.967 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000174783566 905345411 /nfs/dbraw/zinc/34/54/11/905345411.db2.gz VLYZZEVWRVXBCF-VQTJNVASSA-N 2 1 381.524 3.755 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000174783566 905345430 /nfs/dbraw/zinc/34/54/30/905345430.db2.gz VLYZZEVWRVXBCF-VQTJNVASSA-N 2 1 381.524 3.755 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172109136 905357181 /nfs/dbraw/zinc/35/71/81/905357181.db2.gz BKQHEPSDDTZOOK-YSTOQKLRSA-N 2 1 377.573 3.627 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172109136 905357192 /nfs/dbraw/zinc/35/71/92/905357192.db2.gz BKQHEPSDDTZOOK-YSTOQKLRSA-N 2 1 377.573 3.627 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172114177 905362550 /nfs/dbraw/zinc/36/25/50/905362550.db2.gz BJQRFMSYLHUASK-ADAARDCZSA-N 2 1 376.548 3.674 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001172114177 905362564 /nfs/dbraw/zinc/36/25/64/905362564.db2.gz BJQRFMSYLHUASK-ADAARDCZSA-N 2 1 376.548 3.674 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001172114177 905362579 /nfs/dbraw/zinc/36/25/79/905362579.db2.gz BJQRFMSYLHUASK-ADAARDCZSA-N 2 1 376.548 3.674 20 0 GHADMP COc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc2ccccc21 ZINC001172113831 905363406 /nfs/dbraw/zinc/36/34/06/905363406.db2.gz MZCQTNBSDPCRQQ-MVJPYGJCSA-N 2 1 381.520 3.780 20 0 GHADMP COc1cc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc2ccccc21 ZINC001172113831 905363425 /nfs/dbraw/zinc/36/34/25/905363425.db2.gz MZCQTNBSDPCRQQ-MVJPYGJCSA-N 2 1 381.520 3.780 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172115832 905365417 /nfs/dbraw/zinc/36/54/17/905365417.db2.gz AHQWIFFOCVVKBD-RQXATKFSSA-N 2 1 394.538 3.813 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001172115832 905365436 /nfs/dbraw/zinc/36/54/36/905365436.db2.gz AHQWIFFOCVVKBD-RQXATKFSSA-N 2 1 394.538 3.813 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001172115832 905365451 /nfs/dbraw/zinc/36/54/51/905365451.db2.gz AHQWIFFOCVVKBD-RQXATKFSSA-N 2 1 394.538 3.813 20 0 GHADMP COCCN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115747 905366006 /nfs/dbraw/zinc/36/60/06/905366006.db2.gz ZUYXDLQMLXUAAH-WOZUAGRISA-N 2 1 379.976 3.564 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COc3ccccn3)CC1)C2 ZINC001172118306 905375384 /nfs/dbraw/zinc/37/53/84/905375384.db2.gz VAGMCPQXCZKQRT-FNAHDJPLSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@H]3COc3ccccn3)CC1)C2 ZINC001172118306 905375401 /nfs/dbraw/zinc/37/54/01/905375401.db2.gz VAGMCPQXCZKQRT-FNAHDJPLSA-N 2 1 399.579 3.594 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001172119810 905379831 /nfs/dbraw/zinc/37/98/31/905379831.db2.gz AUVOQPYIWOTNQB-SMOZNVCYSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001172119810 905379835 /nfs/dbraw/zinc/37/98/35/905379835.db2.gz AUVOQPYIWOTNQB-SMOZNVCYSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001172119810 905379842 /nfs/dbraw/zinc/37/98/42/905379842.db2.gz AUVOQPYIWOTNQB-SMOZNVCYSA-N 2 1 381.564 3.648 20 0 GHADMP COCCC[NH+]1CCC([NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC001172245298 905443148 /nfs/dbraw/zinc/44/31/48/905443148.db2.gz QKLZXBCEEVBNOS-UHFFFAOYSA-N 2 1 381.358 3.919 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CCOC(C)C)CC2 ZINC001172446687 905564628 /nfs/dbraw/zinc/56/46/28/905564628.db2.gz NCNJRHQAHXFNLI-OALUTQOASA-N 2 1 395.613 3.650 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172560759 905623714 /nfs/dbraw/zinc/62/37/14/905623714.db2.gz SSOORHKVRJHMLB-IRLDBZIGSA-N 2 1 394.563 3.626 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172560759 905623718 /nfs/dbraw/zinc/62/37/18/905623718.db2.gz SSOORHKVRJHMLB-IRLDBZIGSA-N 2 1 394.563 3.626 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172560759 905623723 /nfs/dbraw/zinc/62/37/23/905623723.db2.gz SSOORHKVRJHMLB-IRLDBZIGSA-N 2 1 394.563 3.626 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172638463 905700298 /nfs/dbraw/zinc/70/02/98/905700298.db2.gz XKGRWMUWVPAMGU-APWZRJJASA-N 2 1 398.469 3.991 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172726105 905776307 /nfs/dbraw/zinc/77/63/07/905776307.db2.gz VZFBAMNCIHIBTD-JOCHJYFZSA-N 2 1 378.004 3.937 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C2CCC3(CCCC3)CC2)CC1 ZINC001172727535 905776343 /nfs/dbraw/zinc/77/63/43/905776343.db2.gz ZGEZQKIFANSMMQ-FGZHOGPDSA-N 2 1 387.612 3.897 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172777466 905819449 /nfs/dbraw/zinc/81/94/49/905819449.db2.gz JIFZEAZHZDMBGP-WJMWBRGCSA-N 2 1 388.552 3.889 20 0 GHADMP C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001173078985 906177446 /nfs/dbraw/zinc/17/74/46/906177446.db2.gz HYVXYSSAPMMPFG-AWEZNQCLSA-N 2 1 385.430 3.646 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)CC1 ZINC001173110277 906196705 /nfs/dbraw/zinc/19/67/05/906196705.db2.gz JGQYBYTWXZCSBT-DCCYDQLOSA-N 2 1 376.614 3.692 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)CC1 ZINC001173111346 906198919 /nfs/dbraw/zinc/19/89/19/906198919.db2.gz WNPAJRBKNWXWHF-WIXQSORDSA-N 2 1 375.582 3.830 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173137575 906220895 /nfs/dbraw/zinc/22/08/95/906220895.db2.gz VKCNALUBDFZBNP-GOSISDBHSA-N 2 1 382.577 3.772 20 0 GHADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178187642 906306506 /nfs/dbraw/zinc/30/65/06/906306506.db2.gz RQBRADHTQHLNOG-GOSISDBHSA-N 2 1 384.568 3.786 20 0 GHADMP CC[NH+](CC)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173422586 906458242 /nfs/dbraw/zinc/45/82/42/906458242.db2.gz MIDVYKQHRACVCK-UHFFFAOYSA-N 2 1 377.960 3.751 20 0 GHADMP Fc1cc2c(cc1F)CC([NH+]1CCC3(CC[N@@H+](Cc4cccnc4)C3)CC1)C2 ZINC001173483019 906483014 /nfs/dbraw/zinc/48/30/14/906483014.db2.gz NYSNFBQGWVLMHN-UHFFFAOYSA-N 2 1 383.486 3.815 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)CC2 ZINC001173599841 906552321 /nfs/dbraw/zinc/55/23/21/906552321.db2.gz RNKBOWLYYSQNGP-FDCONGQXSA-N 2 1 396.575 3.999 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC001173605227 906556573 /nfs/dbraw/zinc/55/65/73/906556573.db2.gz AFKCPZDPSSMLQG-WDOMSKHVSA-N 2 1 384.564 3.999 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)CC2 ZINC001173605227 906556579 /nfs/dbraw/zinc/55/65/79/906556579.db2.gz AFKCPZDPSSMLQG-WDOMSKHVSA-N 2 1 384.564 3.999 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001173660491 906596192 /nfs/dbraw/zinc/59/61/92/906596192.db2.gz KVEBLPYPISUCSP-UTKZUKDTSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001173660491 906596200 /nfs/dbraw/zinc/59/62/00/906596200.db2.gz KVEBLPYPISUCSP-UTKZUKDTSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])C1 ZINC001173655320 906640867 /nfs/dbraw/zinc/64/08/67/906640867.db2.gz YQURSGKXMUQVAC-JGEYIFOOSA-N 2 1 390.527 3.685 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1C(F)(F)F ZINC000629559674 906867136 /nfs/dbraw/zinc/86/71/36/906867136.db2.gz BNFFXYURZHRNGJ-APWZRJJASA-N 2 1 379.426 3.620 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1C(F)(F)F ZINC000629559674 906867142 /nfs/dbraw/zinc/86/71/42/906867142.db2.gz BNFFXYURZHRNGJ-APWZRJJASA-N 2 1 379.426 3.620 20 0 GHADMP O[C@H](C[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000629580163 906875849 /nfs/dbraw/zinc/87/58/49/906875849.db2.gz NRNAZUJOAQUEAK-YADHBBJMSA-N 2 1 388.939 3.644 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000629601099 906892153 /nfs/dbraw/zinc/89/21/53/906892153.db2.gz GAEKESPYXIULEA-HYRIKYOOSA-N 2 1 395.547 3.681 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000629601099 906892168 /nfs/dbraw/zinc/89/21/68/906892168.db2.gz GAEKESPYXIULEA-HYRIKYOOSA-N 2 1 395.547 3.681 20 0 GHADMP C[NH+]1CCN(Cc2ccccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001174397324 907002431 /nfs/dbraw/zinc/00/24/31/907002431.db2.gz TYBNCQRFNFQBFI-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2ccccc2NC2=CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001174397324 907002450 /nfs/dbraw/zinc/00/24/50/907002450.db2.gz TYBNCQRFNFQBFI-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CN1CC[NH+](Cc2ccccc2NC2=CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001174397324 907002471 /nfs/dbraw/zinc/00/24/71/907002471.db2.gz TYBNCQRFNFQBFI-UHFFFAOYSA-N 2 1 376.548 3.636 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183191492 907347132 /nfs/dbraw/zinc/34/71/32/907347132.db2.gz FPCINYAODZJUPJ-JENIJYKNSA-N 2 1 393.597 3.752 20 0 GHADMP C[N@@H+]1CCc2c(sc(Nc3ccc(C[NH+]4CCCCC4)cc3)c2C(N)=O)C1 ZINC001175361211 907517609 /nfs/dbraw/zinc/51/76/09/907517609.db2.gz HGFKEYNRRITMDB-UHFFFAOYSA-N 2 1 384.549 3.564 20 0 GHADMP C[N@H+]1CCc2c(sc(Nc3ccc(C[NH+]4CCCCC4)cc3)c2C(N)=O)C1 ZINC001175361211 907517621 /nfs/dbraw/zinc/51/76/21/907517621.db2.gz HGFKEYNRRITMDB-UHFFFAOYSA-N 2 1 384.549 3.564 20 0 GHADMP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001175689699 907695402 /nfs/dbraw/zinc/69/54/02/907695402.db2.gz VGJOYYSFCBDRQM-SFHVURJKSA-N 2 1 375.582 3.712 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCN(c4cc[nH+]cc4)[C@@H](C)C3)n2)cc1F ZINC001175767157 907734255 /nfs/dbraw/zinc/73/42/55/907734255.db2.gz IHKRAPLVCDNFOY-KRWDZBQOSA-N 2 1 395.482 3.722 20 0 GHADMP c1ccc(COc2ccccc2CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000631657481 907792952 /nfs/dbraw/zinc/79/29/52/907792952.db2.gz DFPCNNIBTVQGFQ-QHCPKHFHSA-N 2 1 380.532 3.651 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671169 907811011 /nfs/dbraw/zinc/81/10/11/907811011.db2.gz UCOPKHCXUYUORR-HSALFYBXSA-N 2 1 398.595 3.856 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671169 907811024 /nfs/dbraw/zinc/81/10/24/907811024.db2.gz UCOPKHCXUYUORR-HSALFYBXSA-N 2 1 398.595 3.856 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@@H](C2OCCO2)C1)c1ccccc1 ZINC001176209653 907984408 /nfs/dbraw/zinc/98/44/08/907984408.db2.gz IYLKNYNASZXNKS-DHIUTWEWSA-N 2 1 380.532 3.597 20 0 GHADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(Br)cnc1OC ZINC001177127928 908400110 /nfs/dbraw/zinc/40/01/10/908400110.db2.gz WYQZQDGVIJXBQM-UHFFFAOYSA-N 2 1 392.341 3.984 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCn3ccnc3)c(Cl)c2)CC1 ZINC001177200256 908445079 /nfs/dbraw/zinc/44/50/79/908445079.db2.gz VHZROFUKARSINY-UHFFFAOYSA-N 2 1 390.959 3.826 20 0 GHADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC001177222003 908472293 /nfs/dbraw/zinc/47/22/93/908472293.db2.gz FMCXDLAHJZNWBN-NOZRDPDXSA-N 2 1 393.575 3.521 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCc4ccccc4CC3)cc2)CC1 ZINC001177294691 908499388 /nfs/dbraw/zinc/49/93/88/908499388.db2.gz PCCAINOHHKOOBA-UHFFFAOYSA-N 2 1 377.576 3.861 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC001177266140 908507587 /nfs/dbraw/zinc/50/75/87/908507587.db2.gz BDCVVPMMYAOOAG-HXUWFJFHSA-N 2 1 381.564 3.554 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001177843766 908777535 /nfs/dbraw/zinc/77/75/35/908777535.db2.gz GKDUNLAFDBLOAO-MAUKXSAKSA-N 2 1 384.948 3.584 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)[C@@H](C)C1 ZINC001177843766 908777541 /nfs/dbraw/zinc/77/75/41/908777541.db2.gz GKDUNLAFDBLOAO-MAUKXSAKSA-N 2 1 384.948 3.584 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1c1cccs1 ZINC001177920291 908803276 /nfs/dbraw/zinc/80/32/76/908803276.db2.gz RTNQRZOMXLFLQX-NQIIRXRSSA-N 2 1 383.561 3.813 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1c1cccs1 ZINC001177920291 908803290 /nfs/dbraw/zinc/80/32/90/908803290.db2.gz RTNQRZOMXLFLQX-NQIIRXRSSA-N 2 1 383.561 3.813 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4nccnc4c3)cc2)C[C@H](C)O1 ZINC000634950686 909088746 /nfs/dbraw/zinc/08/87/46/909088746.db2.gz AKCZXRRNXPESMX-HDICACEKSA-N 2 1 376.504 3.529 20 0 GHADMP CC(C)(C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)C[NH+]1CCCC1 ZINC001178614576 909147964 /nfs/dbraw/zinc/14/79/64/909147964.db2.gz OKPMKFHJHLALQW-UHFFFAOYSA-N 2 1 391.357 3.846 20 0 GHADMP C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001179238038 909433995 /nfs/dbraw/zinc/43/39/95/909433995.db2.gz GUBHDQSKNIPSQP-SFHVURJKSA-N 2 1 377.573 3.990 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000267345018 909459274 /nfs/dbraw/zinc/45/92/74/909459274.db2.gz CCMAXRQJVRVZAD-CVDCTZTESA-N 2 1 388.515 3.572 20 0 GHADMP CCCn1nc(C)c(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c1C ZINC001179805002 909743025 /nfs/dbraw/zinc/74/30/25/909743025.db2.gz CHWQFBHFTZNGPK-UHFFFAOYSA-N 2 1 392.551 3.822 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1OC(F)F ZINC001179817286 909748198 /nfs/dbraw/zinc/74/81/98/909748198.db2.gz QAABPBJRTPCIMD-BYCMXARLSA-N 2 1 389.284 3.789 20 0 GHADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1OC(F)F ZINC001179817286 909748211 /nfs/dbraw/zinc/74/82/11/909748211.db2.gz QAABPBJRTPCIMD-BYCMXARLSA-N 2 1 389.284 3.789 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000268112136 909771314 /nfs/dbraw/zinc/77/13/14/909771314.db2.gz MITZKOPIPXRFDW-UHFFFAOYSA-N 2 1 398.576 3.594 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001180082000 909935102 /nfs/dbraw/zinc/93/51/02/909935102.db2.gz PRZKBGGOJPLIOU-AWEZNQCLSA-N 2 1 379.854 3.687 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)C1 ZINC001180082000 909935113 /nfs/dbraw/zinc/93/51/13/909935113.db2.gz PRZKBGGOJPLIOU-AWEZNQCLSA-N 2 1 379.854 3.687 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001180119465 909969643 /nfs/dbraw/zinc/96/96/43/909969643.db2.gz LNRNXAGEARNKOJ-XPWALMASSA-N 2 1 387.612 3.873 20 0 GHADMP CC(C)Oc1ccccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637913454 910002212 /nfs/dbraw/zinc/00/22/12/910002212.db2.gz PISFBWSNTOQOEG-UHFFFAOYSA-N 2 1 381.520 3.796 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)CC(=O)N2C ZINC000268793191 910018727 /nfs/dbraw/zinc/01/87/27/910018727.db2.gz DWUSIJGTCIFRPN-SFHVURJKSA-N 2 1 377.532 3.563 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001180194544 910030701 /nfs/dbraw/zinc/03/07/01/910030701.db2.gz GNVRLMXHNKKKSX-SQJMNOBHSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@H](C(=O)NC3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001180194544 910030713 /nfs/dbraw/zinc/03/07/13/910030713.db2.gz GNVRLMXHNKKKSX-SQJMNOBHSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@H](C(=O)NC3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180194544 910030731 /nfs/dbraw/zinc/03/07/31/910030731.db2.gz GNVRLMXHNKKKSX-SQJMNOBHSA-N 2 1 397.607 3.915 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCc4cc(Cl)ccc43)cc2)CC1 ZINC000268849876 910044121 /nfs/dbraw/zinc/04/41/21/910044121.db2.gz WAVGNQFTGSHOAX-NRFANRHFSA-N 2 1 383.923 3.505 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000268871888 910052230 /nfs/dbraw/zinc/05/22/30/910052230.db2.gz HXFOHEPBEHCSQY-INIZCTEOSA-N 2 1 376.932 3.652 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268873752 910054201 /nfs/dbraw/zinc/05/42/01/910054201.db2.gz JQBFSFGKMKQTSR-WMZHIEFXSA-N 2 1 395.547 3.640 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000268873752 910054221 /nfs/dbraw/zinc/05/42/21/910054221.db2.gz JQBFSFGKMKQTSR-WMZHIEFXSA-N 2 1 395.547 3.640 20 0 GHADMP CC[N@H+](Cc1cccn(C(F)F)c1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638139285 910063968 /nfs/dbraw/zinc/06/39/68/910063968.db2.gz LLPOOWUXOUJAJE-SFHVURJKSA-N 2 1 375.463 3.587 20 0 GHADMP CC[NH+](Cc1cccn(C(F)F)c1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638139285 910063983 /nfs/dbraw/zinc/06/39/83/910063983.db2.gz LLPOOWUXOUJAJE-SFHVURJKSA-N 2 1 375.463 3.587 20 0 GHADMP CC[NH+](Cc1cccn(C(F)F)c1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638139285 910063998 /nfs/dbraw/zinc/06/39/98/910063998.db2.gz LLPOOWUXOUJAJE-SFHVURJKSA-N 2 1 375.463 3.587 20 0 GHADMP O=c1c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cccn1C(F)F ZINC000638153496 910068884 /nfs/dbraw/zinc/06/88/84/910068884.db2.gz KPHJVVZFTNIKDC-UHFFFAOYSA-N 2 1 387.474 3.732 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)n1 ZINC000269098669 910139415 /nfs/dbraw/zinc/13/94/15/910139415.db2.gz SMZRLAIYTJXZGO-XXBNENTESA-N 2 1 393.579 3.705 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc(C)n1 ZINC000269098669 910139427 /nfs/dbraw/zinc/13/94/27/910139427.db2.gz SMZRLAIYTJXZGO-XXBNENTESA-N 2 1 393.579 3.705 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638474464 910160969 /nfs/dbraw/zinc/16/09/69/910160969.db2.gz LZLIVVQSDZZHMZ-QUCCMNQESA-N 2 1 381.486 3.971 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638474464 910160983 /nfs/dbraw/zinc/16/09/83/910160983.db2.gz LZLIVVQSDZZHMZ-QUCCMNQESA-N 2 1 381.486 3.971 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639079723 910309335 /nfs/dbraw/zinc/30/93/35/910309335.db2.gz MIBPKJPUJYWARZ-QESAQDPVSA-N 2 1 380.536 3.598 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639079723 910309354 /nfs/dbraw/zinc/30/93/54/910309354.db2.gz MIBPKJPUJYWARZ-QESAQDPVSA-N 2 1 380.536 3.598 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001274486438 910336891 /nfs/dbraw/zinc/33/68/91/910336891.db2.gz RACACGXDZJYSEV-SLFFLAALSA-N 2 1 375.944 3.562 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001274486438 910336910 /nfs/dbraw/zinc/33/69/10/910336910.db2.gz RACACGXDZJYSEV-SLFFLAALSA-N 2 1 375.944 3.562 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cs1)c1ccccc1 ZINC000639177236 910342340 /nfs/dbraw/zinc/34/23/40/910342340.db2.gz QLAHWLDVTUFXQS-LJQANCHMSA-N 2 1 398.576 3.991 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cs1)c1ccccc1 ZINC000639177236 910342356 /nfs/dbraw/zinc/34/23/56/910342356.db2.gz QLAHWLDVTUFXQS-LJQANCHMSA-N 2 1 398.576 3.991 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000639185713 910345286 /nfs/dbraw/zinc/34/52/86/910345286.db2.gz RZRJYNFYGIJRHO-UHFFFAOYSA-N 2 1 383.323 3.591 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)ccc2oc1=O ZINC000639353409 910396937 /nfs/dbraw/zinc/39/69/37/910396937.db2.gz SDBQLPRTJXTURI-QUCCMNQESA-N 2 1 377.488 3.589 20 0 GHADMP Cn1c2cc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)ccc2oc1=O ZINC000639353409 910396951 /nfs/dbraw/zinc/39/69/51/910396951.db2.gz SDBQLPRTJXTURI-QUCCMNQESA-N 2 1 377.488 3.589 20 0 GHADMP O=C(CC12CCC[NH+]1CCC2)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001181108413 910540168 /nfs/dbraw/zinc/54/01/68/910540168.db2.gz BFGLIXKHXIOERW-QFIPXVFZSA-N 2 1 381.564 3.661 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001181244402 910625553 /nfs/dbraw/zinc/62/55/53/910625553.db2.gz RPWNFTFXOGXIQO-UHFFFAOYSA-N 2 1 383.536 3.961 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001181864813 911046891 /nfs/dbraw/zinc/04/68/91/911046891.db2.gz JHYPTUWOVJFCMP-UHFFFAOYSA-N 2 1 377.548 3.761 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640565516 911067013 /nfs/dbraw/zinc/06/70/13/911067013.db2.gz YNEPNGDCNARRGB-OAQYLSRUSA-N 2 1 395.551 3.519 20 0 GHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640617460 911086191 /nfs/dbraw/zinc/08/61/91/911086191.db2.gz TVTSVQLSGZCTEE-HXUWFJFHSA-N 2 1 395.551 3.519 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640617460 911086211 /nfs/dbraw/zinc/08/62/11/911086211.db2.gz TVTSVQLSGZCTEE-HXUWFJFHSA-N 2 1 395.551 3.519 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCC([NH3+])(CC3CCC3)CC2)C1 ZINC001182346019 911520053 /nfs/dbraw/zinc/52/00/53/911520053.db2.gz QBKGJTKPMKCVGK-JOCHJYFZSA-N 2 1 383.580 3.717 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCc3cc(Cl)cc(Cl)c3)cc2)C1 ZINC001182826076 912069825 /nfs/dbraw/zinc/06/98/25/912069825.db2.gz NYPCCWUBNBRPPM-HXUWFJFHSA-N 2 1 379.331 3.892 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)CCO2 ZINC000248456675 912112652 /nfs/dbraw/zinc/11/26/52/912112652.db2.gz SKKWJLZSVJRYLT-GOTSBHOMSA-N 2 1 380.532 3.819 20 0 GHADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001182939047 912170028 /nfs/dbraw/zinc/17/00/28/912170028.db2.gz YVCBJUZYXBKUBV-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP C[N@H+]1CCC[C@@H](CCNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001182939047 912170035 /nfs/dbraw/zinc/17/00/35/912170035.db2.gz YVCBJUZYXBKUBV-QHCPKHFHSA-N 2 1 379.548 3.537 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](C)C1 ZINC001182939779 912173180 /nfs/dbraw/zinc/17/31/80/912173180.db2.gz VMPSMDAWUCZUAB-ZJSXRUAMSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@H](C)C1 ZINC001182939779 912173186 /nfs/dbraw/zinc/17/31/86/912173186.db2.gz VMPSMDAWUCZUAB-ZJSXRUAMSA-N 2 1 393.575 3.924 20 0 GHADMP CC(C)[NH+]1CC(NC(=O)C[C@@H]2C[N@H+](C(c3ccccc3)c3ccccc3)[C@H]2C)C1 ZINC001186949909 914913367 /nfs/dbraw/zinc/91/33/67/914913367.db2.gz VMMQIEKUDJDJSJ-SIKLNZKXSA-N 2 1 391.559 3.695 20 0 GHADMP CC(C)[NH+]1CC(NC(=O)C[C@@H]2C[N@@H+](C(c3ccccc3)c3ccccc3)[C@H]2C)C1 ZINC001186949909 914913375 /nfs/dbraw/zinc/91/33/75/914913375.db2.gz VMMQIEKUDJDJSJ-SIKLNZKXSA-N 2 1 391.559 3.695 20 0 GHADMP C[C@@H]1[C@H](CC(=O)N[C@H]2CCC[N@@H+](C)C2)C[NH+]1C(c1ccccc1)c1ccccc1 ZINC001186949399 914913597 /nfs/dbraw/zinc/91/35/97/914913597.db2.gz SSLHJWYRFZVDDT-PTUXOGIPSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@@H]1[C@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C[N@@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949399 914913600 /nfs/dbraw/zinc/91/36/00/914913600.db2.gz SSLHJWYRFZVDDT-PTUXOGIPSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@@H]1[C@H](CC(=O)N[C@H]2CCC[NH+](C)C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001186949399 914913603 /nfs/dbraw/zinc/91/36/03/914913603.db2.gz SSLHJWYRFZVDDT-PTUXOGIPSA-N 2 1 391.559 3.697 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000647076407 915019966 /nfs/dbraw/zinc/01/99/66/915019966.db2.gz JNYXBDJOXSEDTN-QGZVFWFLSA-N 2 1 379.504 3.795 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000647182456 915073416 /nfs/dbraw/zinc/07/34/16/915073416.db2.gz CZVFQUMLPPOUJP-UHFFFAOYSA-N 2 1 397.523 3.595 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000647344372 915167205 /nfs/dbraw/zinc/16/72/05/915167205.db2.gz PFNCKRLDXYGPHT-GATIMQMVSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344372 915167212 /nfs/dbraw/zinc/16/72/12/915167212.db2.gz PFNCKRLDXYGPHT-GATIMQMVSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344372 915167225 /nfs/dbraw/zinc/16/72/25/915167225.db2.gz PFNCKRLDXYGPHT-GATIMQMVSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344441 915167261 /nfs/dbraw/zinc/16/72/61/915167261.db2.gz QMYAYXMZRLURID-OXCBMLQPSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H](NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647344441 915167271 /nfs/dbraw/zinc/16/72/71/915167271.db2.gz QMYAYXMZRLURID-OXCBMLQPSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H](NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647344441 915167278 /nfs/dbraw/zinc/16/72/78/915167278.db2.gz QMYAYXMZRLURID-OXCBMLQPSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344441 915167286 /nfs/dbraw/zinc/16/72/86/915167286.db2.gz QMYAYXMZRLURID-OXCBMLQPSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344441 915167293 /nfs/dbraw/zinc/16/72/93/915167293.db2.gz QMYAYXMZRLURID-OXCBMLQPSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647344441 915167300 /nfs/dbraw/zinc/16/73/00/915167300.db2.gz QMYAYXMZRLURID-OXCBMLQPSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647344441 915167310 /nfs/dbraw/zinc/16/73/10/915167310.db2.gz QMYAYXMZRLURID-OXCBMLQPSA-N 3 1 377.576 3.832 20 0 GHADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1C ZINC000647344376 915167871 /nfs/dbraw/zinc/16/78/71/915167871.db2.gz PJUXUKIUDAZHAR-BWAGFHJFSA-N 2 1 379.548 3.956 20 0 GHADMP Cc1ccc(N2CC[C@@H]([NH+]3CCC(C[N@H+](C)Cc4ccccc4)CC3)C2=O)cc1 ZINC000303884568 915297185 /nfs/dbraw/zinc/29/71/85/915297185.db2.gz JMKLYEYUCIHJIE-XMMPIXPASA-N 2 1 391.559 3.944 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OCc1ccncc1 ZINC000647542760 915318826 /nfs/dbraw/zinc/31/88/26/915318826.db2.gz BMYCGYVHKVVMBA-YADHBBJMSA-N 2 1 395.547 3.881 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]21 ZINC000647907955 915434354 /nfs/dbraw/zinc/43/43/54/915434354.db2.gz XDFZFPGAJWKGEK-ZVXPMLRVSA-N 2 1 397.950 3.605 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]21 ZINC000647907955 915434361 /nfs/dbraw/zinc/43/43/61/915434361.db2.gz XDFZFPGAJWKGEK-ZVXPMLRVSA-N 2 1 397.950 3.605 20 0 GHADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1F ZINC000647976845 915457542 /nfs/dbraw/zinc/45/75/42/915457542.db2.gz VAIWPERHYQQZFN-RBUKOAKNSA-N 2 1 386.515 3.828 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000648122734 915518045 /nfs/dbraw/zinc/51/80/45/915518045.db2.gz IZNAMBCIHCXMMM-GIVPXCGWSA-N 2 1 382.552 3.595 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)oc1C ZINC000292148813 915535960 /nfs/dbraw/zinc/53/59/60/915535960.db2.gz MTFAZTWXPRJKFZ-KRWDZBQOSA-N 2 1 398.551 3.556 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)C1 ZINC000292369364 915639109 /nfs/dbraw/zinc/63/91/09/915639109.db2.gz ZBXVPJDXVMRKDF-QFWMQHCXSA-N 2 1 398.522 3.650 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648510679 915728386 /nfs/dbraw/zinc/72/83/86/915728386.db2.gz HSNMXLFENOTJDM-IBGZPJMESA-N 2 1 385.895 3.728 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648510680 915728507 /nfs/dbraw/zinc/72/85/07/915728507.db2.gz HSNMXLFENOTJDM-LJQANCHMSA-N 2 1 385.895 3.728 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000648732923 915842930 /nfs/dbraw/zinc/84/29/30/915842930.db2.gz VTLWWPKJJTWSAV-PKOBYXMFSA-N 2 1 396.535 3.501 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000648814801 915890245 /nfs/dbraw/zinc/89/02/45/915890245.db2.gz SPXUTTJGWBQLBW-PZJWPPBQSA-N 2 1 377.617 3.713 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000648831630 915897754 /nfs/dbraw/zinc/89/77/54/915897754.db2.gz DWOAYOOTEVBSHE-GOSISDBHSA-N 2 1 384.524 3.900 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)c2cccs2)CC1 ZINC000543777940 915971621 /nfs/dbraw/zinc/97/16/21/915971621.db2.gz YOXLCFUCALBWIB-OALUTQOASA-N 2 1 389.540 3.679 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@@H]1c1cccs1 ZINC000649341191 916105889 /nfs/dbraw/zinc/10/58/89/916105889.db2.gz SZTGOFFQARXSRV-FHLIZLRMSA-N 2 1 377.941 3.601 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649378590 916129543 /nfs/dbraw/zinc/12/95/43/916129543.db2.gz LQFXEQQVNSVYJV-OXJNMPFZSA-N 2 1 377.960 3.843 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)cc1 ZINC000293766593 916369904 /nfs/dbraw/zinc/36/99/04/916369904.db2.gz RSNUJCPVIWQCOQ-SFHVURJKSA-N 2 1 376.504 3.868 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3csc(C4CC4)n3)CC2)CC1 ZINC000362157468 917105879 /nfs/dbraw/zinc/10/58/79/917105879.db2.gz BCVIUVFZKSMMCV-UHFFFAOYSA-N 2 1 376.614 3.649 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3csc(C4CC4)n3)CC2)CC1 ZINC000362157468 917105885 /nfs/dbraw/zinc/10/58/85/917105885.db2.gz BCVIUVFZKSMMCV-UHFFFAOYSA-N 2 1 376.614 3.649 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)cc1 ZINC000295058750 917117334 /nfs/dbraw/zinc/11/73/34/917117334.db2.gz QBSLXXIQHDJPRW-SEJPIABJSA-N 2 1 379.504 3.662 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)cc1 ZINC000295058750 917117345 /nfs/dbraw/zinc/11/73/45/917117345.db2.gz QBSLXXIQHDJPRW-SEJPIABJSA-N 2 1 379.504 3.662 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000650722547 917249095 /nfs/dbraw/zinc/24/90/95/917249095.db2.gz WGMTWVUBWWJLDJ-NEWSRXKRSA-N 2 1 375.513 3.810 20 0 GHADMP C[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000652274618 917860964 /nfs/dbraw/zinc/86/09/64/917860964.db2.gz SLXGTQPOZCKWBT-CVDCTZTESA-N 2 1 392.547 3.995 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)Nc1cccc(F)c1 ZINC000652337525 917876095 /nfs/dbraw/zinc/87/60/95/917876095.db2.gz RIGYNURCDUXONZ-GOSISDBHSA-N 2 1 396.510 3.505 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCOc3cccc(C(F)(F)F)c3)C2)C1 ZINC000652348226 917877653 /nfs/dbraw/zinc/87/76/53/917877653.db2.gz YEWCADDHJFDNLJ-KVSKMBFKSA-N 2 1 386.458 3.693 20 0 GHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)n2)cc1 ZINC000652362114 917880715 /nfs/dbraw/zinc/88/07/15/917880715.db2.gz YDKXGVYOAZJGJY-XUVXKRRUSA-N 2 1 384.524 3.721 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000652363633 917884428 /nfs/dbraw/zinc/88/44/28/917884428.db2.gz JSYCRVYWUULXEG-JEBQAFNWSA-N 2 1 393.503 3.949 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000652363633 917884435 /nfs/dbraw/zinc/88/44/35/917884435.db2.gz JSYCRVYWUULXEG-JEBQAFNWSA-N 2 1 393.503 3.949 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC001191417094 917991933 /nfs/dbraw/zinc/99/19/33/917991933.db2.gz MRNABDGGRWOJDQ-JQFCIGGWSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC001191417094 917991938 /nfs/dbraw/zinc/99/19/38/917991938.db2.gz MRNABDGGRWOJDQ-JQFCIGGWSA-N 2 1 375.340 3.538 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC001191417094 917991951 /nfs/dbraw/zinc/99/19/51/917991951.db2.gz MRNABDGGRWOJDQ-JQFCIGGWSA-N 2 1 375.340 3.538 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000653193242 918169140 /nfs/dbraw/zinc/16/91/40/918169140.db2.gz KMRFFJYJTHQMQE-UPVQGACJSA-N 2 1 377.532 3.520 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCc3ccc(C)cc3C)CC2)CC1 ZINC000654401515 919113433 /nfs/dbraw/zinc/11/34/33/919113433.db2.gz BTRUKAJARZEIGI-UHFFFAOYSA-N 2 1 385.596 3.549 20 0 GHADMP C[C@H]([NH2+]CCCNC(=O)/C=C\c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000800504884 920205693 /nfs/dbraw/zinc/20/56/93/920205693.db2.gz GTSWLNKYTNJPNL-JUSGPXSWSA-N 2 1 391.559 3.706 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1C[NH+](C)C ZINC000365499207 920868625 /nfs/dbraw/zinc/86/86/25/920868625.db2.gz WHERIIQJLHVDTL-OAQYLSRUSA-N 2 1 379.548 3.732 20 0 GHADMP CC[N@@H+](Cc1nc(C2CC2)no1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365511925 920887900 /nfs/dbraw/zinc/88/79/00/920887900.db2.gz VGQODONBTKEOOF-UHFFFAOYSA-N 2 1 384.528 3.660 20 0 GHADMP C[C@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367162465 921951770 /nfs/dbraw/zinc/95/17/70/921951770.db2.gz BOLJSQUVQNTUFG-MXPIYFSTSA-N 2 1 377.960 3.710 20 0 GHADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000368531539 922733130 /nfs/dbraw/zinc/73/31/30/922733130.db2.gz VPZUGEOLHSDEHU-SDUSCBPUSA-N 2 1 392.591 3.794 20 0 GHADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919480 923399882 /nfs/dbraw/zinc/39/98/82/923399882.db2.gz CUKWNVQHKNPAHG-QFBILLFUSA-N 2 1 391.947 3.742 20 0 GHADMP OC[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000903940128 923413802 /nfs/dbraw/zinc/41/38/02/923413802.db2.gz XWPXKVKSBAAVEM-GUDVDZBRSA-N 2 1 375.310 3.565 20 0 GHADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000369837033 923663525 /nfs/dbraw/zinc/66/35/25/923663525.db2.gz YROAZRPGMUTRIB-UYAOXDASSA-N 2 1 386.584 3.587 20 0 GHADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000369837033 923663529 /nfs/dbraw/zinc/66/35/29/923663529.db2.gz YROAZRPGMUTRIB-UYAOXDASSA-N 2 1 386.584 3.587 20 0 GHADMP C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000370260150 923990306 /nfs/dbraw/zinc/99/03/06/923990306.db2.gz KHCPZIQFEHDIJU-IBGZPJMESA-N 2 1 392.632 3.793 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4c3cc(F)cc4F)cc2)CC1 ZINC000677129131 924252114 /nfs/dbraw/zinc/25/21/14/924252114.db2.gz GFVPTGKTRNLVRJ-QHCPKHFHSA-N 2 1 385.502 3.879 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000678045873 924590991 /nfs/dbraw/zinc/59/09/91/924590991.db2.gz LUFUCAYUZHHSNT-UHFFFAOYSA-N 2 1 388.531 3.582 20 0 GHADMP COc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1OC ZINC000678123604 924617583 /nfs/dbraw/zinc/61/75/83/924617583.db2.gz ZFKLHMPHDFUDRT-UHFFFAOYSA-N 2 1 397.563 3.866 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000678282734 924706288 /nfs/dbraw/zinc/70/62/88/924706288.db2.gz GCCRBJJDJZZVBR-XMMPIXPASA-N 2 1 382.548 3.889 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCCOc1ccc(C)cc1 ZINC000678342622 924734806 /nfs/dbraw/zinc/73/48/06/924734806.db2.gz AOLHKYRAGWIBIG-SFTDATJTSA-N 2 1 396.531 3.503 20 0 GHADMP C(C[NH+]1CCC[C@@H](C[C@H]2CCOC2)C1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637776 924858376 /nfs/dbraw/zinc/85/83/76/924858376.db2.gz CEVDYTOFOOOJLP-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678637776 924858387 /nfs/dbraw/zinc/85/83/87/924858387.db2.gz CEVDYTOFOOOJLP-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCC[C@H](C[C@@H]2CCOC2)C1)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678637776 924858392 /nfs/dbraw/zinc/85/83/92/924858392.db2.gz CEVDYTOFOOOJLP-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000678733687 924899697 /nfs/dbraw/zinc/89/96/97/924899697.db2.gz VKGBPJIZLAVZQV-NNMXDRDESA-N 2 1 395.547 3.515 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000679836038 925279931 /nfs/dbraw/zinc/27/99/31/925279931.db2.gz VJXZFXXLKGVCCY-CYFREDJKSA-N 2 1 383.580 3.588 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)NCc1cccs1 ZINC000680038521 925338904 /nfs/dbraw/zinc/33/89/04/925338904.db2.gz NIXCDRITVZKUPW-XODARUQUSA-N 2 1 397.588 3.643 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC2(CCC[NH+]2C)CC1 ZINC000680647175 925552582 /nfs/dbraw/zinc/55/25/82/925552582.db2.gz DYWUCGVQYGDJIW-HXUWFJFHSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000680647175 925552588 /nfs/dbraw/zinc/55/25/88/925552588.db2.gz DYWUCGVQYGDJIW-HXUWFJFHSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000680647175 925552592 /nfs/dbraw/zinc/55/25/92/925552592.db2.gz DYWUCGVQYGDJIW-HXUWFJFHSA-N 2 1 399.579 3.640 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000410354985 925560144 /nfs/dbraw/zinc/56/01/44/925560144.db2.gz RXRMYSQSJANGIE-REWPJTCUSA-N 2 1 398.595 3.688 20 0 GHADMP CSc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000411477731 926445741 /nfs/dbraw/zinc/44/57/41/926445741.db2.gz QMKRMAQLSZWWBX-UZLBHIALSA-N 2 1 397.544 3.993 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397997096 926486019 /nfs/dbraw/zinc/48/60/19/926486019.db2.gz CGLTYYRFLWJDJC-RMJJICAUSA-N 2 1 375.557 3.788 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397997096 926486021 /nfs/dbraw/zinc/48/60/21/926486021.db2.gz CGLTYYRFLWJDJC-RMJJICAUSA-N 2 1 375.557 3.788 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000374286938 926982102 /nfs/dbraw/zinc/98/21/02/926982102.db2.gz IEGCRIBUOXDTTI-PXNSSMCTSA-N 2 1 383.502 3.909 20 0 GHADMP C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412692633 927737831 /nfs/dbraw/zinc/73/78/31/927737831.db2.gz DPKIVYXAOREVNM-NRFANRHFSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000412692633 927737842 /nfs/dbraw/zinc/73/78/42/927737842.db2.gz DPKIVYXAOREVNM-NRFANRHFSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000467348110 928984450 /nfs/dbraw/zinc/98/44/50/928984450.db2.gz VWBHNMACSFGISL-UEVCKROQSA-N 2 1 379.548 3.773 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC(=O)Nc4ccccc43)CC2)cs1 ZINC000544359707 929089456 /nfs/dbraw/zinc/08/94/56/929089456.db2.gz JMPYVALUYQNXLZ-LJQANCHMSA-N 2 1 398.576 3.981 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000544421603 929159455 /nfs/dbraw/zinc/15/94/55/929159455.db2.gz MOKMHDIBMVDTBZ-WFXMLNOXSA-N 2 1 387.543 3.872 20 0 GHADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000544421603 929159460 /nfs/dbraw/zinc/15/94/60/929159460.db2.gz MOKMHDIBMVDTBZ-WFXMLNOXSA-N 2 1 387.543 3.872 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)cc1 ZINC000544575551 929302336 /nfs/dbraw/zinc/30/23/36/929302336.db2.gz MOZBWUTUOMIYCO-HSZRJFAPSA-N 2 1 376.504 3.686 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3nc(C(F)(F)F)cs3)CC2)nc(C)[nH+]1 ZINC000467741580 929360840 /nfs/dbraw/zinc/36/08/40/929360840.db2.gz SGYUPWDIYZJWAP-LLVKDONJSA-N 2 1 385.459 3.888 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753765914 929525154 /nfs/dbraw/zinc/52/51/54/929525154.db2.gz DKTWSLXWXISJPT-GIVPXCGWSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000753851236 929562868 /nfs/dbraw/zinc/56/28/68/929562868.db2.gz SXPLQVBXXIFMPY-HMXCVIKNSA-N 2 1 387.568 3.886 20 0 GHADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000545875605 929631926 /nfs/dbraw/zinc/63/19/26/929631926.db2.gz SYQPHYZGZLYPIV-FQEVSTJZSA-N 2 1 395.330 3.729 20 0 GHADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 ZINC000545875605 929631928 /nfs/dbraw/zinc/63/19/28/929631928.db2.gz SYQPHYZGZLYPIV-FQEVSTJZSA-N 2 1 395.330 3.729 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccnn1-c1ccccc1 ZINC000545980857 929743168 /nfs/dbraw/zinc/74/31/68/929743168.db2.gz LMTXDKXSHZHULH-NQIIRXRSSA-N 2 1 395.576 3.573 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000757772787 929795272 /nfs/dbraw/zinc/79/52/72/929795272.db2.gz KXPYGSGZHMYNLE-AUSIDOKSSA-N 2 1 394.563 3.553 20 0 GHADMP COc1cc2c(cc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000546056169 929812189 /nfs/dbraw/zinc/81/21/89/929812189.db2.gz NWLAUTVDJDUGOD-HKUYNNGSSA-N 2 1 382.504 3.814 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000469424397 929873811 /nfs/dbraw/zinc/87/38/11/929873811.db2.gz MZQMAEMBHMRDKL-FGZHOGPDSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000469424397 929873819 /nfs/dbraw/zinc/87/38/19/929873819.db2.gz MZQMAEMBHMRDKL-FGZHOGPDSA-N 2 1 388.600 3.563 20 0 GHADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000469424397 929873832 /nfs/dbraw/zinc/87/38/32/929873832.db2.gz MZQMAEMBHMRDKL-FGZHOGPDSA-N 2 1 388.600 3.563 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000469481340 929928614 /nfs/dbraw/zinc/92/86/14/929928614.db2.gz GVQOBLYCDFRSLI-YJBOKZPZSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000469481340 929928617 /nfs/dbraw/zinc/92/86/17/929928617.db2.gz GVQOBLYCDFRSLI-YJBOKZPZSA-N 2 1 385.474 3.641 20 0 GHADMP CC[NH+](CC)CCSCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000469835359 930192545 /nfs/dbraw/zinc/19/25/45/930192545.db2.gz FDZQNFGXGQOTFF-TZIWHRDSSA-N 2 1 391.625 3.573 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000469980957 930292597 /nfs/dbraw/zinc/29/25/97/930292597.db2.gz HKOVEYZVHFYEOO-OALUTQOASA-N 2 1 397.485 3.783 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000469980957 930292603 /nfs/dbraw/zinc/29/26/03/930292603.db2.gz HKOVEYZVHFYEOO-OALUTQOASA-N 2 1 397.485 3.783 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)[C@@H](C)C1 ZINC000470093222 930371604 /nfs/dbraw/zinc/37/16/04/930371604.db2.gz XWFDWGHFUMNUMX-OXJNMPFZSA-N 2 1 383.502 3.990 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)cc2)C1 ZINC000470122193 930389708 /nfs/dbraw/zinc/38/97/08/930389708.db2.gz SHROVVISWMLRTE-GOSISDBHSA-N 2 1 381.520 3.721 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H](Cc3ccc(Cl)cc3)C(N)=O)cc2)C1 ZINC000546887689 930511263 /nfs/dbraw/zinc/51/12/63/930511263.db2.gz DJWGKANDCQYMCJ-VGSWGCGISA-N 2 1 399.966 3.758 20 0 GHADMP C[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2C[C@H](C)N(C)C[C@H]2C)[C@H](C)CN1C ZINC000781903782 931021027 /nfs/dbraw/zinc/02/10/27/931021027.db2.gz XBTKHHAHEPPEGW-KAOXLYBCSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2C[C@H](C)N(C)C[C@H]2C)[C@H](C)CN1C ZINC000781903782 931021037 /nfs/dbraw/zinc/02/10/37/931021037.db2.gz XBTKHHAHEPPEGW-KAOXLYBCSA-N 2 1 380.665 3.766 20 0 GHADMP C[C@@H]1C[N@H+](CCCCCCCCC[NH+]2C[C@H](C)N(C)C[C@H]2C)[C@H](C)CN1C ZINC000781903782 931021046 /nfs/dbraw/zinc/02/10/46/931021046.db2.gz XBTKHHAHEPPEGW-KAOXLYBCSA-N 2 1 380.665 3.766 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967925 931064143 /nfs/dbraw/zinc/06/41/43/931064143.db2.gz KZWJRMDKVDSSJG-UNMCSNQZSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470967925 931064155 /nfs/dbraw/zinc/06/41/55/931064155.db2.gz KZWJRMDKVDSSJG-UNMCSNQZSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470967925 931064162 /nfs/dbraw/zinc/06/41/62/931064162.db2.gz KZWJRMDKVDSSJG-UNMCSNQZSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470967925 931064178 /nfs/dbraw/zinc/06/41/78/931064178.db2.gz KZWJRMDKVDSSJG-UNMCSNQZSA-N 2 1 388.596 3.696 20 0 GHADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470967925 931064190 /nfs/dbraw/zinc/06/41/90/931064190.db2.gz KZWJRMDKVDSSJG-UNMCSNQZSA-N 2 1 388.596 3.696 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000470985089 931076515 /nfs/dbraw/zinc/07/65/15/931076515.db2.gz UDFGLYKKEWHLCK-OAHLLOKOSA-N 2 1 384.351 3.986 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000470985089 931076522 /nfs/dbraw/zinc/07/65/22/931076522.db2.gz UDFGLYKKEWHLCK-OAHLLOKOSA-N 2 1 384.351 3.986 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000470985089 931076531 /nfs/dbraw/zinc/07/65/31/931076531.db2.gz UDFGLYKKEWHLCK-OAHLLOKOSA-N 2 1 384.351 3.986 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OCC ZINC000924558157 931421209 /nfs/dbraw/zinc/42/12/09/931421209.db2.gz BWNFRWUKGLSDMW-VOBGVNJCSA-N 2 1 376.541 3.776 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C ZINC000925135127 931671938 /nfs/dbraw/zinc/67/19/38/931671938.db2.gz UHWWEDGKCMJHJJ-AITUJVMLSA-N 2 1 376.545 3.738 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000925538940 931815119 /nfs/dbraw/zinc/81/51/19/931815119.db2.gz UOYMSEZBRLTWHT-ROKPMTFOSA-N 3 1 381.564 3.866 20 0 GHADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000925538940 931815134 /nfs/dbraw/zinc/81/51/34/931815134.db2.gz UOYMSEZBRLTWHT-ROKPMTFOSA-N 2 1 381.564 3.866 20 0 GHADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)C2)n(C)n1 ZINC000558409424 931986582 /nfs/dbraw/zinc/98/65/82/931986582.db2.gz PERYIVWUAQBJEY-FXAWDEMLSA-N 2 1 378.524 3.542 20 0 GHADMP CCc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cn1 ZINC000558422338 931995438 /nfs/dbraw/zinc/99/54/38/931995438.db2.gz BBDLKVBDTRKUAW-UHFFFAOYSA-N 2 1 382.552 3.761 20 0 GHADMP CCc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cn1 ZINC000558422338 931995440 /nfs/dbraw/zinc/99/54/40/931995440.db2.gz BBDLKVBDTRKUAW-UHFFFAOYSA-N 2 1 382.552 3.761 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2cnnc2)c1 ZINC000926112221 932052381 /nfs/dbraw/zinc/05/23/81/932052381.db2.gz PQJPCRTTYLDMBQ-CNNODRBYSA-N 2 1 375.520 3.829 20 0 GHADMP C[C@H]([NH2+]C1CC(CNC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000926112598 932052735 /nfs/dbraw/zinc/05/27/35/932052735.db2.gz ZRHZTKQSJSVXSG-AFVILVPDSA-N 2 1 387.568 3.790 20 0 GHADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000796758509 932055941 /nfs/dbraw/zinc/05/59/41/932055941.db2.gz DHJMTJLXMRYFIC-BJKOFHAPSA-N 2 1 395.547 3.607 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)[C@H]2CCC[C@@H]21 ZINC000796947108 932118466 /nfs/dbraw/zinc/11/84/66/932118466.db2.gz HWMNQMRRUIWMIJ-HKBOAZHASA-N 2 1 385.552 3.900 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000797023968 932150557 /nfs/dbraw/zinc/15/05/57/932150557.db2.gz WWLVJXUMCRXFTP-ZJOUEHCJSA-N 2 1 385.552 3.737 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)[C@H]2C1 ZINC000926437281 932181813 /nfs/dbraw/zinc/18/18/13/932181813.db2.gz UMALYFRFXJNKCZ-IZSADCMBSA-N 2 1 395.591 3.809 20 0 GHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)ccc1OC ZINC000797099857 932182427 /nfs/dbraw/zinc/18/24/27/932182427.db2.gz DYCIVORHWSELFC-QGZVFWFLSA-N 2 1 396.597 3.545 20 0 GHADMP CC[NH+](CC)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000558974297 932348291 /nfs/dbraw/zinc/34/82/91/932348291.db2.gz YSUDRKBMXSYOKR-VZKPYBMVSA-N 2 1 377.960 3.712 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000798348941 932607659 /nfs/dbraw/zinc/60/76/59/932607659.db2.gz JKDOPXPBTPXJIF-LADGPHEKSA-N 2 1 394.563 3.501 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000798957264 932839959 /nfs/dbraw/zinc/83/99/59/932839959.db2.gz PPKUKSFDLRARIE-UHFFFAOYSA-N 2 1 379.589 3.831 20 0 GHADMP COc1cccc([C@@H](C)[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000559773971 932846398 /nfs/dbraw/zinc/84/63/98/932846398.db2.gz KFLAVOBLHCYRLN-OFNKIYASSA-N 2 1 379.548 3.648 20 0 GHADMP COc1cccc([C@@H](C)[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000559773971 932846403 /nfs/dbraw/zinc/84/64/03/932846403.db2.gz KFLAVOBLHCYRLN-OFNKIYASSA-N 2 1 379.548 3.648 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178766 932899633 /nfs/dbraw/zinc/89/96/33/932899633.db2.gz JEHPUUXYHJRJET-HNNXBMFYSA-N 2 1 383.458 3.840 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2cccc(N4CCOCC4)c2)C3)cc1 ZINC000559877767 932918536 /nfs/dbraw/zinc/91/85/36/932918536.db2.gz OGHAVUVPWQNWBI-NQDVKAMUSA-N 2 1 391.559 3.808 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000559921290 932956463 /nfs/dbraw/zinc/95/64/63/932956463.db2.gz RPNPKVVIVPUBKB-UHFFFAOYSA-N 2 1 379.548 3.758 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000560153195 933097537 /nfs/dbraw/zinc/09/75/37/933097537.db2.gz WOHLEYFZMCYGHY-LJQANCHMSA-N 2 1 391.302 3.880 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(C[NH+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000560183222 933117864 /nfs/dbraw/zinc/11/78/64/933117864.db2.gz RKBHUTLLNCVISO-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(C[NH+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000560183222 933117874 /nfs/dbraw/zinc/11/78/74/933117874.db2.gz RKBHUTLLNCVISO-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(C[NH+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000560183222 933117876 /nfs/dbraw/zinc/11/78/76/933117876.db2.gz RKBHUTLLNCVISO-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000560546301 933331477 /nfs/dbraw/zinc/33/14/77/933331477.db2.gz YMXPVZNCYLJAMQ-HBFSDRIKSA-N 2 1 393.531 3.969 20 0 GHADMP CCOc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc(Cl)c1OC ZINC000560611457 933385776 /nfs/dbraw/zinc/38/57/76/933385776.db2.gz LIBHRHACZKXQJB-JWTNVVGKSA-N 2 1 396.959 3.821 20 0 GHADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc(Cl)c1OC ZINC000560611457 933385783 /nfs/dbraw/zinc/38/57/83/933385783.db2.gz LIBHRHACZKXQJB-JWTNVVGKSA-N 2 1 396.959 3.821 20 0 GHADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc(Cl)c1OC ZINC000560611457 933385795 /nfs/dbraw/zinc/38/57/95/933385795.db2.gz LIBHRHACZKXQJB-JWTNVVGKSA-N 2 1 396.959 3.821 20 0 GHADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc(Cl)c1OC ZINC000560611457 933385809 /nfs/dbraw/zinc/38/58/09/933385809.db2.gz LIBHRHACZKXQJB-JWTNVVGKSA-N 2 1 396.959 3.821 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)cc1)C(C)C ZINC000560677930 933447575 /nfs/dbraw/zinc/44/75/75/933447575.db2.gz PMQOVTUOFACKRX-QHCPKHFHSA-N 2 1 395.547 3.736 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1)C(C)C ZINC000560677930 933447585 /nfs/dbraw/zinc/44/75/85/933447585.db2.gz PMQOVTUOFACKRX-QHCPKHFHSA-N 2 1 395.547 3.736 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1)C(C)C ZINC000560677930 933447590 /nfs/dbraw/zinc/44/75/90/933447590.db2.gz PMQOVTUOFACKRX-QHCPKHFHSA-N 2 1 395.547 3.736 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000561046167 933816239 /nfs/dbraw/zinc/81/62/39/933816239.db2.gz TYNDKOPWELIYBA-UXHICEINSA-N 2 1 384.911 3.553 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000561046167 933816244 /nfs/dbraw/zinc/81/62/44/933816244.db2.gz TYNDKOPWELIYBA-UXHICEINSA-N 2 1 384.911 3.553 20 0 GHADMP COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)CCCn2ccnc2)c1 ZINC000561077049 933841895 /nfs/dbraw/zinc/84/18/95/933841895.db2.gz CMLXODPSAFMLHC-OAQYLSRUSA-N 2 1 378.476 3.594 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(COCC4CC4)c3)CC2)CC1 ZINC000561182059 933938670 /nfs/dbraw/zinc/93/86/70/933938670.db2.gz GZHCYSOVAZSAPN-UHFFFAOYSA-N 2 1 399.579 3.748 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C)C1=CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000561651032 934337441 /nfs/dbraw/zinc/33/74/41/934337441.db2.gz FAXQOCQOWLKCTM-JXFKEZNVSA-N 2 1 392.975 3.673 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000561651032 934337452 /nfs/dbraw/zinc/33/74/52/934337452.db2.gz FAXQOCQOWLKCTM-JXFKEZNVSA-N 2 1 392.975 3.673 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000561651032 934337462 /nfs/dbraw/zinc/33/74/62/934337462.db2.gz FAXQOCQOWLKCTM-JXFKEZNVSA-N 2 1 392.975 3.673 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2snnc2C)CC1 ZINC001119695999 934382803 /nfs/dbraw/zinc/38/28/03/934382803.db2.gz SFVFHWALWCTURO-UONOGXRCSA-N 2 1 377.533 3.539 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc(OC)c1OCC(F)F ZINC001119988975 934431253 /nfs/dbraw/zinc/43/12/53/934431253.db2.gz MNCBXKIUEULFTE-ULQDDVLXSA-N 2 1 398.494 3.510 20 0 GHADMP Cc1ccc(-c2nn(C[N@@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c(=S)n2C)cc1 ZINC001120255393 934450110 /nfs/dbraw/zinc/45/01/10/934450110.db2.gz GVNCJTLKJDNKDO-FHWLQOOXSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1ccc(-c2nn(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c(=S)n2C)cc1 ZINC001120255393 934450117 /nfs/dbraw/zinc/45/01/17/934450117.db2.gz GVNCJTLKJDNKDO-FHWLQOOXSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)c2ccccc2)cc1 ZINC001120520224 934469064 /nfs/dbraw/zinc/46/90/64/934469064.db2.gz SYJJMZDXTJRPSS-ZFFYZDHPSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC001137946165 935885408 /nfs/dbraw/zinc/88/54/08/935885408.db2.gz MLCMZVPSLLUMLY-UHFFFAOYSA-N 2 1 387.837 3.535 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001220751205 1032100180 /nfs/dbraw/zinc/10/01/80/1032100180.db2.gz JRPOSHDQFOPWNB-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001220751205 1032100187 /nfs/dbraw/zinc/10/01/87/1032100187.db2.gz JRPOSHDQFOPWNB-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC001220751205 1032100196 /nfs/dbraw/zinc/10/01/96/1032100196.db2.gz JRPOSHDQFOPWNB-VXKWHMMOSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@H](C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[NH+](CC)CC ZINC000468019387 1015150434 /nfs/dbraw/zinc/15/04/34/1015150434.db2.gz HPFXUMXITHEWLD-LJQANCHMSA-N 2 1 399.501 3.906 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468030707 1015169216 /nfs/dbraw/zinc/16/92/16/1015169216.db2.gz RAGVZHOMTIHMBY-IFMALSPDSA-N 2 1 388.600 3.878 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)c1ccccc1 ZINC001220803173 1032127876 /nfs/dbraw/zinc/12/78/76/1032127876.db2.gz CKUNHJCTHAUREH-KURKYZTESA-N 2 1 385.474 3.506 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2c(Br)cccc2OC(F)F)CCC[C@H]1C[NH3+] ZINC001206027896 1033692822 /nfs/dbraw/zinc/69/28/22/1033692822.db2.gz XCDDBIBJRJNYEA-NEPJUHHUSA-N 2 1 377.273 3.857 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000469966233 1016685182 /nfs/dbraw/zinc/68/51/82/1016685182.db2.gz RAJRHOUZLZEQGI-UCBGAZFYSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000469966233 1016685191 /nfs/dbraw/zinc/68/51/91/1016685191.db2.gz RAJRHOUZLZEQGI-UCBGAZFYSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000469966233 1016685198 /nfs/dbraw/zinc/68/51/98/1016685198.db2.gz RAJRHOUZLZEQGI-UCBGAZFYSA-N 2 1 389.543 3.573 20 0 GHADMP O=C(NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000469966233 1016685204 /nfs/dbraw/zinc/68/52/04/1016685204.db2.gz RAJRHOUZLZEQGI-UCBGAZFYSA-N 2 1 389.543 3.573 20 0 GHADMP C[C@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C[NH+]1CCCCC1 ZINC001221251922 1032348920 /nfs/dbraw/zinc/34/89/20/1032348920.db2.gz DPHDGIYYPRNRCA-RTWAWAEBSA-N 2 1 392.632 3.795 20 0 GHADMP C(c1nc2sc3c(c2c(N[C@H]2CC[C@@H]4C[NH2+]C[C@@H]42)n1)CCCC3)[NH+]1CCCC1 ZINC001155588043 1032589448 /nfs/dbraw/zinc/58/94/48/1032589448.db2.gz LYGBSCZJITXZNW-PVAVHDDUSA-N 2 1 397.592 3.576 20 0 GHADMP Fc1ccc([C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccc2)nc1 ZINC000925819672 1017153587 /nfs/dbraw/zinc/15/35/87/1017153587.db2.gz XZMDXQXQWVTYRM-XMMPIXPASA-N 2 1 390.506 3.505 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000559048992 1017348099 /nfs/dbraw/zinc/34/80/99/1017348099.db2.gz AYJCALXZKRZYFS-PGRDOPGGSA-N 2 1 389.559 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000559267507 1017410243 /nfs/dbraw/zinc/41/02/43/1017410243.db2.gz RCPARBUUYOZAHD-QHCPKHFHSA-N 2 1 383.580 3.873 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000929805027 1017742355 /nfs/dbraw/zinc/74/23/55/1017742355.db2.gz ABDIUVPAFBSIRP-GATIMQMVSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000929805027 1017742368 /nfs/dbraw/zinc/74/23/68/1017742368.db2.gz ABDIUVPAFBSIRP-GATIMQMVSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CC[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000929805027 1017742375 /nfs/dbraw/zinc/74/23/75/1017742375.db2.gz ABDIUVPAFBSIRP-GATIMQMVSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CC[C@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000929805027 1017742387 /nfs/dbraw/zinc/74/23/87/1017742387.db2.gz ABDIUVPAFBSIRP-GATIMQMVSA-N 2 1 396.575 3.846 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC001204288370 1032729132 /nfs/dbraw/zinc/72/91/32/1032729132.db2.gz SWMYUTGUINGMHM-GBESFXJTSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1[nH]c2ccccc2c1CN1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001204292023 1032734672 /nfs/dbraw/zinc/73/46/72/1032734672.db2.gz SQYTUSGWEWLRML-UHFFFAOYSA-N 2 1 377.536 3.840 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563661685 1018941699 /nfs/dbraw/zinc/94/16/99/1018941699.db2.gz IWBJSSUPDUGORW-UIAACRFSSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563661685 1018941703 /nfs/dbraw/zinc/94/17/03/1018941703.db2.gz IWBJSSUPDUGORW-UIAACRFSSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563661685 1018941706 /nfs/dbraw/zinc/94/17/06/1018941706.db2.gz IWBJSSUPDUGORW-UIAACRFSSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563661685 1018941708 /nfs/dbraw/zinc/94/17/08/1018941708.db2.gz IWBJSSUPDUGORW-UIAACRFSSA-N 2 1 396.526 3.517 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000564651716 1019099465 /nfs/dbraw/zinc/09/94/65/1019099465.db2.gz OCSIZXZDRFCWAM-UHFFFAOYSA-N 2 1 378.476 3.992 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000564971273 1019132155 /nfs/dbraw/zinc/13/21/55/1019132155.db2.gz UMPYMXRRSKZQIW-OALUTQOASA-N 2 1 379.552 3.882 20 0 GHADMP CC(=O)n1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c2ccccc21 ZINC001204408852 1032835105 /nfs/dbraw/zinc/83/51/05/1032835105.db2.gz NZYQGZJWUJOTGB-RTWAWAEBSA-N 2 1 388.515 3.650 20 0 GHADMP CC(=O)n1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c2ccccc21 ZINC001204408852 1032835119 /nfs/dbraw/zinc/83/51/19/1032835119.db2.gz NZYQGZJWUJOTGB-RTWAWAEBSA-N 2 1 388.515 3.650 20 0 GHADMP CC(=O)n1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c2ccccc21 ZINC001204408852 1032835128 /nfs/dbraw/zinc/83/51/28/1032835128.db2.gz NZYQGZJWUJOTGB-RTWAWAEBSA-N 2 1 388.515 3.650 20 0 GHADMP CC(=O)n1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c2ccccc21 ZINC001204408852 1032835138 /nfs/dbraw/zinc/83/51/38/1032835138.db2.gz NZYQGZJWUJOTGB-RTWAWAEBSA-N 2 1 388.515 3.650 20 0 GHADMP c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570423563 1019605569 /nfs/dbraw/zinc/60/55/69/1019605569.db2.gz YJPUFKPBZCNDAK-GZOXUSKESA-N 2 1 384.483 3.652 20 0 GHADMP C[C@H]([NH2+]CCc1csc(N2CCCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577211662 1020146071 /nfs/dbraw/zinc/14/60/71/1020146071.db2.gz JJPBDFMZJYAZDK-AZUAARDMSA-N 2 1 384.593 3.786 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N(C)C4CC[NH2+]CC4)c23)C1 ZINC001156180499 1032914722 /nfs/dbraw/zinc/91/47/22/1032914722.db2.gz HMUZSQKLACVJCE-OAHLLOKOSA-N 2 1 399.608 3.600 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204491642 1032925669 /nfs/dbraw/zinc/92/56/69/1032925669.db2.gz IKZIAUCNYMMMEC-QHCPKHFHSA-N 2 1 392.543 3.877 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC001204493757 1032927098 /nfs/dbraw/zinc/92/70/98/1032927098.db2.gz VDRHTJKZWSPVRI-YMPZKCBVSA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC001204493757 1032927101 /nfs/dbraw/zinc/92/71/01/1032927101.db2.gz VDRHTJKZWSPVRI-YMPZKCBVSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC001204493757 1032927107 /nfs/dbraw/zinc/92/71/07/1032927107.db2.gz VDRHTJKZWSPVRI-YMPZKCBVSA-N 2 1 377.532 3.749 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC001204493757 1032927112 /nfs/dbraw/zinc/92/71/12/1032927112.db2.gz VDRHTJKZWSPVRI-YMPZKCBVSA-N 2 1 377.532 3.749 20 0 GHADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NO[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000779651862 1020910663 /nfs/dbraw/zinc/91/06/63/1020910663.db2.gz MAXOIFDXLVYPLF-CXAGYDPISA-N 2 1 392.887 3.664 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NO[C@H](C)c2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000779651862 1020910664 /nfs/dbraw/zinc/91/06/64/1020910664.db2.gz MAXOIFDXLVYPLF-CXAGYDPISA-N 2 1 392.887 3.664 20 0 GHADMP Cc1cc(C)cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001204521833 1032947105 /nfs/dbraw/zinc/94/71/05/1032947105.db2.gz CJEXDGJBQDXJBR-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000637033015 1021011298 /nfs/dbraw/zinc/01/12/98/1021011298.db2.gz HHKNSYXQRCWCJJ-UXHICEINSA-N 2 1 390.616 3.689 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c2ccccc2)[nH]1 ZINC000639236844 1021066928 /nfs/dbraw/zinc/06/69/28/1021066928.db2.gz YDYUPSLDYQRGMD-ACIOBRDBSA-N 2 1 387.531 3.894 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c2ccccc2)[nH]1 ZINC000639236844 1021066934 /nfs/dbraw/zinc/06/69/34/1021066934.db2.gz YDYUPSLDYQRGMD-ACIOBRDBSA-N 2 1 387.531 3.894 20 0 GHADMP CSc1ncc(C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)c(N)n1 ZINC001140252553 1021228758 /nfs/dbraw/zinc/22/87/58/1021228758.db2.gz RNQAUYMZTHEQKX-UHFFFAOYSA-N 2 1 397.592 3.659 20 0 GHADMP Clc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCO1 ZINC000834586037 1021282589 /nfs/dbraw/zinc/28/25/89/1021282589.db2.gz XTNGBHPOMDLEMQ-ILWGZMRPSA-N 2 1 392.971 3.663 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1-c1cccnc1)C2 ZINC001140314498 1021379960 /nfs/dbraw/zinc/37/99/60/1021379960.db2.gz AEFDNVUDUXQMPB-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1-c1cccnc1)C2 ZINC001140314498 1021379975 /nfs/dbraw/zinc/37/99/75/1021379975.db2.gz AEFDNVUDUXQMPB-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1-c1cccnc1)C2 ZINC001140314498 1021379990 /nfs/dbraw/zinc/37/99/90/1021379990.db2.gz AEFDNVUDUXQMPB-ZCYQVOJMSA-N 2 1 391.559 3.929 20 0 GHADMP Clc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c2c(n1)C[NH2+]CC2 ZINC001156315339 1032976740 /nfs/dbraw/zinc/97/67/40/1032976740.db2.gz AURWMYLHMYWYCR-BHIYHBOVSA-N 2 1 382.939 3.703 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]c(N5CCCCC5)n4)[C@@H]3C2)cc1 ZINC001156315988 1032977696 /nfs/dbraw/zinc/97/76/96/1032977696.db2.gz DTUZZGZJUTZPLZ-HBMCJLEFSA-N 2 1 377.536 3.789 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc[nH+]c(N5CCCCC5)n4)[C@@H]3C2)cc1 ZINC001156315988 1032977701 /nfs/dbraw/zinc/97/77/01/1032977701.db2.gz DTUZZGZJUTZPLZ-HBMCJLEFSA-N 2 1 377.536 3.789 20 0 GHADMP c1[nH]nc2ccc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCC3CC3)cc12 ZINC001140383586 1021536418 /nfs/dbraw/zinc/53/64/18/1021536418.db2.gz OQRQUQACVZENQN-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000835068336 1021853816 /nfs/dbraw/zinc/85/38/16/1021853816.db2.gz GHASHFUCRJSLOC-WMZOPIPTSA-N 2 1 399.539 3.558 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc(C)c1O ZINC001140655457 1022182283 /nfs/dbraw/zinc/18/22/83/1022182283.db2.gz MIETZYBMPCUHAI-NOZRDPDXSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc(C)c1O ZINC001140655457 1022182305 /nfs/dbraw/zinc/18/23/05/1022182305.db2.gz MIETZYBMPCUHAI-NOZRDPDXSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc(C)c1O ZINC001140655457 1022182323 /nfs/dbraw/zinc/18/23/23/1022182323.db2.gz MIETZYBMPCUHAI-NOZRDPDXSA-N 2 1 398.591 3.970 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(C)c1 ZINC001140675293 1022232031 /nfs/dbraw/zinc/23/20/31/1022232031.db2.gz UEXDBJJNXSENKU-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP Cn1cnc2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cc21 ZINC001140746318 1022418077 /nfs/dbraw/zinc/41/80/77/1022418077.db2.gz ILHQHKUYTOZRBP-IEIRFRATSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cc21 ZINC001140746318 1022418083 /nfs/dbraw/zinc/41/80/83/1022418083.db2.gz ILHQHKUYTOZRBP-IEIRFRATSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc21 ZINC001140746318 1022418091 /nfs/dbraw/zinc/41/80/91/1022418091.db2.gz ILHQHKUYTOZRBP-IEIRFRATSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2ccc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc21 ZINC001140746318 1022418098 /nfs/dbraw/zinc/41/80/98/1022418098.db2.gz ILHQHKUYTOZRBP-IEIRFRATSA-N 2 1 389.547 3.701 20 0 GHADMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)cc1 ZINC001140974495 1023052970 /nfs/dbraw/zinc/05/29/70/1023052970.db2.gz ALFGSQHATKTBIR-JOCHJYFZSA-N 2 1 393.575 3.902 20 0 GHADMP COc1cccc([C@@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)c1 ZINC001140974790 1023054668 /nfs/dbraw/zinc/05/46/68/1023054668.db2.gz KYBUQAAWAHBNMP-OAQYLSRUSA-N 2 1 379.548 3.827 20 0 GHADMP CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001138057092 1023962379 /nfs/dbraw/zinc/96/23/79/1023962379.db2.gz GWLUPITUAYOVAL-GOTSBHOMSA-N 2 1 379.548 3.802 20 0 GHADMP CC[N@H+]1C[C@@H]2C[NH+](Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138076652 1024006360 /nfs/dbraw/zinc/00/63/60/1024006360.db2.gz QDGFJYXEMVOOAN-HDICACEKSA-N 2 1 386.337 3.895 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138076652 1024006378 /nfs/dbraw/zinc/00/63/78/1024006378.db2.gz QDGFJYXEMVOOAN-HDICACEKSA-N 2 1 386.337 3.895 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138076652 1024006400 /nfs/dbraw/zinc/00/64/00/1024006400.db2.gz QDGFJYXEMVOOAN-HDICACEKSA-N 2 1 386.337 3.895 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cnccc3-c3cccc(Br)c3)C[C@@H]2C1 ZINC001138076652 1024006418 /nfs/dbraw/zinc/00/64/18/1024006418.db2.gz QDGFJYXEMVOOAN-HDICACEKSA-N 2 1 386.337 3.895 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001138138971 1024209540 /nfs/dbraw/zinc/20/95/40/1024209540.db2.gz YWSYQZUAUXYMCQ-HXUWFJFHSA-N 2 1 383.536 3.762 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001138138971 1024209557 /nfs/dbraw/zinc/20/95/57/1024209557.db2.gz YWSYQZUAUXYMCQ-HXUWFJFHSA-N 2 1 383.536 3.762 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC001138138971 1024209575 /nfs/dbraw/zinc/20/95/75/1024209575.db2.gz YWSYQZUAUXYMCQ-HXUWFJFHSA-N 2 1 383.536 3.762 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001138138971 1024209596 /nfs/dbraw/zinc/20/95/96/1024209596.db2.gz YWSYQZUAUXYMCQ-HXUWFJFHSA-N 2 1 383.536 3.762 20 0 GHADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)[NH+]2CCCC2)CC[N@H+]1C ZINC001138145128 1024227815 /nfs/dbraw/zinc/22/78/15/1024227815.db2.gz OYXXQRBEFFHQDR-DBVUQKKJSA-N 2 1 393.522 3.727 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001138250565 1024465000 /nfs/dbraw/zinc/46/50/00/1024465000.db2.gz HEKTYLHQHQQKSC-BJKOFHAPSA-N 2 1 397.538 3.615 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001141316526 1024520078 /nfs/dbraw/zinc/52/00/78/1024520078.db2.gz OKCMMABXRWHZKC-XZOQPEGZSA-N 2 1 383.511 3.828 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001138296915 1024577652 /nfs/dbraw/zinc/57/76/52/1024577652.db2.gz JCQGFIMESGMJIX-NRFANRHFSA-N 2 1 377.548 3.761 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001138296915 1024577661 /nfs/dbraw/zinc/57/76/61/1024577661.db2.gz JCQGFIMESGMJIX-NRFANRHFSA-N 2 1 377.548 3.761 20 0 GHADMP Cc1c2ccccc2sc1C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001138460610 1024887670 /nfs/dbraw/zinc/88/76/70/1024887670.db2.gz PEGYJHNPFDNYJO-UHFFFAOYSA-N 2 1 398.576 3.890 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(OC5CCOCC5)cc4)C[C@@H]3C2)cc1 ZINC001141413267 1024933491 /nfs/dbraw/zinc/93/34/91/1024933491.db2.gz MMADMMGILHPDOE-GOTSBHOMSA-N 2 1 392.543 3.808 20 0 GHADMP COc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c2c1 ZINC001138505722 1024941282 /nfs/dbraw/zinc/94/12/82/1024941282.db2.gz HDCOBWOFYSVUKQ-UHFFFAOYSA-N 2 1 395.503 3.637 20 0 GHADMP COc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c2c1 ZINC001138505722 1024941286 /nfs/dbraw/zinc/94/12/86/1024941286.db2.gz HDCOBWOFYSVUKQ-UHFFFAOYSA-N 2 1 395.503 3.637 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138545033 1024989783 /nfs/dbraw/zinc/98/97/83/1024989783.db2.gz QQNSQYZHRUKDTA-UHFFFAOYSA-N 2 1 382.508 3.624 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001138545033 1024989786 /nfs/dbraw/zinc/98/97/86/1024989786.db2.gz QQNSQYZHRUKDTA-UHFFFAOYSA-N 2 1 382.508 3.624 20 0 GHADMP CCOc1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)c1 ZINC001138549067 1024995995 /nfs/dbraw/zinc/99/59/95/1024995995.db2.gz PVALITSOQRJFKK-UHFFFAOYSA-N 2 1 376.504 3.902 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138550169 1024998213 /nfs/dbraw/zinc/99/82/13/1024998213.db2.gz MKTWXZBJSXYACY-FQEVSTJZSA-N 2 1 378.476 3.628 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC001138550169 1024998214 /nfs/dbraw/zinc/99/82/14/1024998214.db2.gz MKTWXZBJSXYACY-FQEVSTJZSA-N 2 1 378.476 3.628 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(Nc4cc[nH+]c(N5CCCC5)c4)cc3)CC2)CC1 ZINC001205102207 1033250550 /nfs/dbraw/zinc/25/05/50/1033250550.db2.gz KECKZDMDPZPWGZ-UHFFFAOYSA-N 2 1 377.536 3.662 20 0 GHADMP FC(F)(F)c1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001141471018 1025152769 /nfs/dbraw/zinc/15/27/69/1025152769.db2.gz XTNWKUSEIHVCCX-MOPGFXCFSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001141471018 1025152773 /nfs/dbraw/zinc/15/27/73/1025152773.db2.gz XTNWKUSEIHVCCX-MOPGFXCFSA-N 2 1 390.453 3.839 20 0 GHADMP FC(F)(F)c1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001141471018 1025152778 /nfs/dbraw/zinc/15/27/78/1025152778.db2.gz XTNWKUSEIHVCCX-MOPGFXCFSA-N 2 1 390.453 3.839 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138738130 1025274301 /nfs/dbraw/zinc/27/43/01/1025274301.db2.gz LQVDXLFSNUMUSJ-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138738208 1025274530 /nfs/dbraw/zinc/27/45/30/1025274530.db2.gz MFBQMFORTWJDMV-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001138773300 1025344649 /nfs/dbraw/zinc/34/46/49/1025344649.db2.gz AJMZMZGCWLGGOY-JOCHJYFZSA-N 2 1 382.504 3.751 20 0 GHADMP OCCOc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC001138802812 1025392284 /nfs/dbraw/zinc/39/22/84/1025392284.db2.gz FYCRLCHWKMHDND-UHFFFAOYSA-N 2 1 394.559 3.936 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3ccnn31)CC2 ZINC001138805969 1025397274 /nfs/dbraw/zinc/39/72/74/1025397274.db2.gz SJDYAOUVMSMXHC-FQEVSTJZSA-N 2 1 396.560 3.651 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000838898010 1025427140 /nfs/dbraw/zinc/42/71/40/1025427140.db2.gz WAJTUMLOLQBBRT-UHFFFAOYSA-N 2 1 387.568 3.588 20 0 GHADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC001141557406 1025532645 /nfs/dbraw/zinc/53/26/45/1025532645.db2.gz FXHMQXSJSHZTLT-ZEQRLZLVSA-N 2 1 391.559 3.647 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC001141557404 1025533538 /nfs/dbraw/zinc/53/35/38/1025533538.db2.gz FXHMQXSJSHZTLT-DNQXCXABSA-N 2 1 391.559 3.647 20 0 GHADMP COCCn1ccc2c1nc[nH+]c2N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001162235790 1025684867 /nfs/dbraw/zinc/68/48/67/1025684867.db2.gz IWMPNOCNNVQNBR-HXUWFJFHSA-N 2 1 397.498 3.760 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000839181033 1025690867 /nfs/dbraw/zinc/69/08/67/1025690867.db2.gz GJSZTORXNULMTD-MRXNPFEDSA-N 2 1 378.923 3.854 20 0 GHADMP Cc1cccc2cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c(Cl)nc12 ZINC000839256680 1025760106 /nfs/dbraw/zinc/76/01/06/1025760106.db2.gz PAISSTFYBHQAMH-UHFFFAOYSA-N 2 1 395.894 3.596 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cccc(CC[NH+](C)C)c2)C1 ZINC001141632972 1025967922 /nfs/dbraw/zinc/96/79/22/1025967922.db2.gz KCGPUCDTUUSKIY-FQEVSTJZSA-N 2 1 393.575 3.953 20 0 GHADMP Cc1cc2cc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ncc2[nH]1 ZINC001162931668 1025971089 /nfs/dbraw/zinc/97/10/89/1025971089.db2.gz ABOOAJYZSQHWDO-NRFANRHFSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1cc2cc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ncc2[nH]1 ZINC001162931669 1025971364 /nfs/dbraw/zinc/97/13/64/1025971364.db2.gz ABOOAJYZSQHWDO-OAQYLSRUSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1cc(Cl)cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933227 1025971519 /nfs/dbraw/zinc/97/15/19/1025971519.db2.gz AZSUTHKQAHZNDK-LJQANCHMSA-N 2 1 384.955 3.957 20 0 GHADMP CCOc1cc(C)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cn1 ZINC001162940407 1025976623 /nfs/dbraw/zinc/97/66/23/1025976623.db2.gz CXRPMDCEODZISX-OAQYLSRUSA-N 2 1 394.563 3.702 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cc4c(cn3)OCCO4)cc2)C1 ZINC001461051451 1069361531 /nfs/dbraw/zinc/36/15/31/1069361531.db2.gz SCRHYIKWSMVNCD-ROUUACIJSA-N 2 1 381.520 3.621 20 0 GHADMP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000839550832 1026049116 /nfs/dbraw/zinc/04/91/16/1026049116.db2.gz IOHSKTTXWSGCBW-FHWLQOOXSA-N 2 1 379.589 3.876 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC001164074711 1026402276 /nfs/dbraw/zinc/40/22/76/1026402276.db2.gz WBAYWWDEZJREFM-XJKSGUPXSA-N 2 1 375.586 3.714 20 0 GHADMP CN1CCC(CNc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)([NH+](C)C)CC1 ZINC001164216657 1026455608 /nfs/dbraw/zinc/45/56/08/1026455608.db2.gz HFNRBFWIHGPBDX-UHFFFAOYSA-N 2 1 378.564 3.640 20 0 GHADMP C[C@]1(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001164394760 1026505782 /nfs/dbraw/zinc/50/57/82/1026505782.db2.gz UMELNEUFJNBFDL-DEOSSOPVSA-N 2 1 386.499 3.642 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](Nc4cc(O[C@@H]5CCOC5)cc[nH+]4)[C@@H]3C2)cc1 ZINC001164499035 1026535165 /nfs/dbraw/zinc/53/51/65/1026535165.db2.gz KQHCZTUVHBHHAE-PDGJWGCVSA-N 2 1 379.504 3.572 20 0 GHADMP COc1cc2c[nH+]c(N3[C@H](C(F)(F)F)CCC34CC[NH2+]CC4)cc2cc1OC ZINC001165307878 1026700210 /nfs/dbraw/zinc/70/02/10/1026700210.db2.gz SDBDQVUHVVPUAO-KRWDZBQOSA-N 2 1 395.425 3.905 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c(OC)n1 ZINC001139920732 1026732491 /nfs/dbraw/zinc/73/24/91/1026732491.db2.gz CXHUHILODBCMTB-UHFFFAOYSA-N 2 1 387.549 3.648 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001140025021 1026812027 /nfs/dbraw/zinc/81/20/27/1026812027.db2.gz LMPQHLVXEHDTQY-UHFFFAOYSA-N 2 1 385.471 3.832 20 0 GHADMP CSc1nccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)n1 ZINC001140033746 1026822166 /nfs/dbraw/zinc/82/21/66/1026822166.db2.gz PUOHLIYWIHBEMD-KFKAGJAMSA-N 2 1 388.606 3.993 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CCN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001166033571 1026902494 /nfs/dbraw/zinc/90/24/94/1026902494.db2.gz XTQRKZHRVLIREP-UHFFFAOYSA-N 2 1 389.503 3.719 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)ccc1C ZINC001140157398 1026930468 /nfs/dbraw/zinc/93/04/68/1026930468.db2.gz BNXXIZCAOWPNEA-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)ccc1C ZINC001140157398 1026930472 /nfs/dbraw/zinc/93/04/72/1026930472.db2.gz BNXXIZCAOWPNEA-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1C ZINC001140157398 1026930476 /nfs/dbraw/zinc/93/04/76/1026930476.db2.gz BNXXIZCAOWPNEA-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP COc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1C ZINC001140157398 1026930478 /nfs/dbraw/zinc/93/04/78/1026930478.db2.gz BNXXIZCAOWPNEA-FSSWDIPSSA-N 2 1 382.552 3.574 20 0 GHADMP COc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1C ZINC001140158580 1026932259 /nfs/dbraw/zinc/93/22/59/1026932259.db2.gz XVWRFWYWBCHFMA-FQEVSTJZSA-N 2 1 384.520 3.852 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)C4(CCCC4)[C@@H]3c3ccccc3)C2)CC1 ZINC000840038445 1027103816 /nfs/dbraw/zinc/10/38/16/1027103816.db2.gz UQEWOOSAIPWALZ-YADHBBJMSA-N 2 1 381.564 3.752 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn(C)c4ncccc34)C[C@@H]21 ZINC001209749297 1027140512 /nfs/dbraw/zinc/14/05/12/1027140512.db2.gz VPRURAOSRHDMQI-YFXJRYMSSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2ccccn2)c2cccnc21 ZINC001209749297 1027140519 /nfs/dbraw/zinc/14/05/19/1027140519.db2.gz VPRURAOSRHDMQI-YFXJRYMSSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH+](C)Cc2ccccn2)c2cccnc21 ZINC001209749297 1027140530 /nfs/dbraw/zinc/14/05/30/1027140530.db2.gz VPRURAOSRHDMQI-YFXJRYMSSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@H+](C)Cc2ccccn2)c2cccnc21 ZINC001209749297 1027140540 /nfs/dbraw/zinc/14/05/40/1027140540.db2.gz VPRURAOSRHDMQI-YFXJRYMSSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2ccccn2)c2cccnc21 ZINC001209749297 1027140554 /nfs/dbraw/zinc/14/05/54/1027140554.db2.gz VPRURAOSRHDMQI-YFXJRYMSSA-N 2 1 389.547 3.701 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)o1 ZINC001141783767 1027265605 /nfs/dbraw/zinc/26/56/05/1027265605.db2.gz BZPJPZPQAJZSCM-UHFFFAOYSA-N 2 1 388.533 3.892 20 0 GHADMP CCCCn1c([C@H](CC)[NH+](C)C)nn(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1=S ZINC000840151632 1027283615 /nfs/dbraw/zinc/28/36/15/1027283615.db2.gz IPATTYICMOPATN-MSOLQXFVSA-N 2 1 396.649 3.599 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001461223399 1069450110 /nfs/dbraw/zinc/45/01/10/1069450110.db2.gz BQZPAVLEGBRPJF-CQSZACIVSA-N 2 1 399.398 3.762 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(I)cs2)CC1 ZINC001141862679 1027491549 /nfs/dbraw/zinc/49/15/49/1027491549.db2.gz XUIDIOJBWMLQFU-UHFFFAOYSA-N 2 1 392.350 3.905 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Br)s3)CC2)nc(C)[nH+]1 ZINC001461257790 1069464707 /nfs/dbraw/zinc/46/47/07/1069464707.db2.gz QVZOOXXLXGWGDW-UHFFFAOYSA-N 2 1 381.343 3.676 20 0 GHADMP Cc1ccc(C)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001203746408 1027568863 /nfs/dbraw/zinc/56/88/63/1027568863.db2.gz IJIZMDYVBJUDBD-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP Clc1cccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001203800798 1027615448 /nfs/dbraw/zinc/61/54/48/1027615448.db2.gz XMUFETUVVRFLOR-HJNYFJLDSA-N 2 1 384.955 3.912 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(Cl)cc3)O2)CC1 ZINC001203921124 1027711202 /nfs/dbraw/zinc/71/12/02/1027711202.db2.gz WNFVTBRRZVWTEK-YPAWHYETSA-N 2 1 392.971 3.820 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1sccc1C)CC2 ZINC001204019912 1027810463 /nfs/dbraw/zinc/81/04/63/1027810463.db2.gz RSPLIOJAYABNCL-HXUWFJFHSA-N 2 1 392.609 3.786 20 0 GHADMP CSc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204140693 1027911615 /nfs/dbraw/zinc/91/16/15/1027911615.db2.gz AOIMUDDRZRTTEV-IFMALSPDSA-N 2 1 383.561 3.526 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204140693 1027911620 /nfs/dbraw/zinc/91/16/20/1027911620.db2.gz AOIMUDDRZRTTEV-IFMALSPDSA-N 2 1 383.561 3.526 20 0 GHADMP CSc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204140693 1027911623 /nfs/dbraw/zinc/91/16/23/1027911623.db2.gz AOIMUDDRZRTTEV-IFMALSPDSA-N 2 1 383.561 3.526 20 0 GHADMP C[C@@]1(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@@H+](Cc2ccccc2)C1 ZINC000841327413 1028434561 /nfs/dbraw/zinc/43/45/61/1028434561.db2.gz JQGZECKQUWKTNY-QHCPKHFHSA-N 2 1 396.510 3.505 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccccc3-c3ccccc3)CC[C@@H]21 ZINC001142339346 1028720257 /nfs/dbraw/zinc/72/02/57/1028720257.db2.gz PMNZXJOWJHCDFQ-GPXNEJASSA-N 2 1 387.531 3.540 20 0 GHADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccccc3-c3ccccc3)CC[C@@H]21 ZINC001142339346 1028720270 /nfs/dbraw/zinc/72/02/70/1028720270.db2.gz PMNZXJOWJHCDFQ-GPXNEJASSA-N 2 1 387.531 3.540 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccccc3-c3ccccc3)CC[C@@H]21 ZINC001142339346 1028720284 /nfs/dbraw/zinc/72/02/84/1028720284.db2.gz PMNZXJOWJHCDFQ-GPXNEJASSA-N 2 1 387.531 3.540 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccccc3-c3ccccc3)CC[C@@H]21 ZINC001142339346 1028720296 /nfs/dbraw/zinc/72/02/96/1028720296.db2.gz PMNZXJOWJHCDFQ-GPXNEJASSA-N 2 1 387.531 3.540 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001214693673 1028865143 /nfs/dbraw/zinc/86/51/43/1028865143.db2.gz NCALQIGLKNNGBG-IBGZPJMESA-N 2 1 396.535 3.538 20 0 GHADMP COC(=O)c1cccc2[nH+]cc(Nc3cccc(C[NH+]4CCCCC4)c3F)n21 ZINC001215675760 1029342361 /nfs/dbraw/zinc/34/23/61/1029342361.db2.gz QEFZFGQHRVKXTM-UHFFFAOYSA-N 2 1 382.439 3.990 20 0 GHADMP COC(=O)c1cccc2[nH+]cc(Nc3ccc(C[NH+]4CCCCC4)c(F)c3)n21 ZINC001215711207 1029360667 /nfs/dbraw/zinc/36/06/67/1029360667.db2.gz HROUOJRJTYSINR-UHFFFAOYSA-N 2 1 382.439 3.990 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000842764743 1029572838 /nfs/dbraw/zinc/57/28/38/1029572838.db2.gz UYVBAPAMVFOANA-UEKLYDJUSA-N 2 1 387.568 3.757 20 0 GHADMP CCCCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000843124487 1029816579 /nfs/dbraw/zinc/81/65/79/1029816579.db2.gz BQGILFSNNDBSFC-FQEVSTJZSA-N 2 1 390.568 3.842 20 0 GHADMP Cc1sc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000843354640 1029933336 /nfs/dbraw/zinc/93/33/36/1029933336.db2.gz GMSUHYINDGOGMY-UHFFFAOYSA-N 2 1 392.956 3.912 20 0 GHADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 ZINC000843363504 1029942050 /nfs/dbraw/zinc/94/20/50/1029942050.db2.gz QJCXULUYAVZXCI-UHFFFAOYSA-N 2 1 395.503 3.855 20 0 GHADMP CN1CCN(c2cccc(C[NH+]3CCCC4(CCCC[NH2+]C4)CCC3)c2)CC1 ZINC001222120315 1029970711 /nfs/dbraw/zinc/97/07/11/1029970711.db2.gz UVFWFPYAUPEZSH-UHFFFAOYSA-N 2 1 384.612 3.574 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CC(c1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC001222215643 1030011189 /nfs/dbraw/zinc/01/11/89/1030011189.db2.gz IXUGNGPLONZISP-HSZRJFAPSA-N 2 1 392.543 3.826 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CCCc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC001222216020 1030012199 /nfs/dbraw/zinc/01/21/99/1030012199.db2.gz SWJIFIYVOWOUBQ-GOSISDBHSA-N 2 1 399.362 3.933 20 0 GHADMP Brc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1-n1cccn1 ZINC001222321420 1030070337 /nfs/dbraw/zinc/07/03/37/1030070337.db2.gz VUBPYEMDFRQQBN-LJQANCHMSA-N 2 1 389.341 3.743 20 0 GHADMP Brc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1-n1cccn1 ZINC001222321420 1030070356 /nfs/dbraw/zinc/07/03/56/1030070356.db2.gz VUBPYEMDFRQQBN-LJQANCHMSA-N 2 1 389.341 3.743 20 0 GHADMP Fc1cc(-c2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)cnc1Cl ZINC001222407816 1030113197 /nfs/dbraw/zinc/11/31/97/1030113197.db2.gz OPOZPPZZMHDWRQ-UHFFFAOYSA-N 2 1 389.902 3.743 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2CCCc2ccncc2)cc1 ZINC001222576196 1030207934 /nfs/dbraw/zinc/20/79/34/1030207934.db2.gz RQOGOZQEJDAODS-HSZRJFAPSA-N 2 1 379.548 3.818 20 0 GHADMP COc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1N ZINC001222584472 1030211218 /nfs/dbraw/zinc/21/12/18/1030211218.db2.gz SBMACCRJTRYWAQ-NRFANRHFSA-N 2 1 395.547 3.581 20 0 GHADMP COc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1N ZINC001222584473 1030211956 /nfs/dbraw/zinc/21/19/56/1030211956.db2.gz SBMACCRJTRYWAQ-OAQYLSRUSA-N 2 1 395.547 3.581 20 0 GHADMP c1c(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cc[nH+]cc12 ZINC001222590496 1030216322 /nfs/dbraw/zinc/21/63/22/1030216322.db2.gz IIPVKJIXVSHIBF-QFIPXVFZSA-N 3 1 390.531 3.866 20 0 GHADMP c1c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)[nH]c2cc[nH+]cc12 ZINC001222590496 1030216339 /nfs/dbraw/zinc/21/63/39/1030216339.db2.gz IIPVKJIXVSHIBF-QFIPXVFZSA-N 3 1 390.531 3.866 20 0 GHADMP CCc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc1 ZINC001222590605 1030216389 /nfs/dbraw/zinc/21/63/89/1030216389.db2.gz LFEOPJNSJGHNAR-HSZRJFAPSA-N 2 1 379.548 3.947 20 0 GHADMP CCc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)nc1 ZINC001222590605 1030216400 /nfs/dbraw/zinc/21/64/00/1030216400.db2.gz LFEOPJNSJGHNAR-HSZRJFAPSA-N 2 1 379.548 3.947 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001222595730 1030221753 /nfs/dbraw/zinc/22/17/53/1030221753.db2.gz HTLLGWVLNBOFJU-XMMPIXPASA-N 3 1 375.560 3.588 20 0 GHADMP Clc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1-n1cccn1 ZINC001222608972 1030232465 /nfs/dbraw/zinc/23/24/65/1030232465.db2.gz KBLKVWKPSKBRSP-LJQANCHMSA-N 2 1 378.907 3.715 20 0 GHADMP Clc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1-n1cccn1 ZINC001222608972 1030232484 /nfs/dbraw/zinc/23/24/84/1030232484.db2.gz KBLKVWKPSKBRSP-LJQANCHMSA-N 2 1 378.907 3.715 20 0 GHADMP CCOC(OCC)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1 ZINC001222610217 1030234540 /nfs/dbraw/zinc/23/45/40/1030234540.db2.gz VFRIGWCUBYMVHN-QFIPXVFZSA-N 2 1 380.532 3.947 20 0 GHADMP FC(F)(F)Oc1cc(Br)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222629802 1030250159 /nfs/dbraw/zinc/25/01/59/1030250159.db2.gz PKFXCLLCPXOYCD-BETUJISGSA-N 2 1 393.247 3.779 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001223089972 1030434774 /nfs/dbraw/zinc/43/47/74/1030434774.db2.gz UBUHKDKDFNNSEP-VXKWHMMOSA-N 2 1 388.600 3.707 20 0 GHADMP CCOc1ccc(-c2nnc([C@@H]([NH3+])CCCC[NH2+]C(C)C)o2)cc1OCC ZINC001217753127 1030642858 /nfs/dbraw/zinc/64/28/58/1030642858.db2.gz VVLVHHFASOTSGN-INIZCTEOSA-N 2 1 376.501 3.702 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001150755947 1030643522 /nfs/dbraw/zinc/64/35/22/1030643522.db2.gz YYZJOKWPPACMRL-FUHWJXTLSA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2cccc(C(F)(F)F)c2)C1 ZINC001150755946 1030644292 /nfs/dbraw/zinc/64/42/92/1030644292.db2.gz YYZJOKWPPACMRL-AEFFLSMTSA-N 2 1 385.474 3.545 20 0 GHADMP c1ccc(C(c2ccccc2)[NH+]2CC(OC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1 ZINC001217826717 1030657781 /nfs/dbraw/zinc/65/77/81/1030657781.db2.gz GCIAJCGTWYRQPR-QFIPXVFZSA-N 2 1 392.543 3.636 20 0 GHADMP CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@H]6C[C@@H]([NH2+]C)C6)cc54)O[C@H](C[N@H+]3C1)C2 ZINC001217957321 1030688622 /nfs/dbraw/zinc/68/86/22/1030688622.db2.gz XNAYEMWZJJKSCJ-ZMASHJLESA-N 2 1 393.531 3.678 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC001223664750 1030694400 /nfs/dbraw/zinc/69/44/00/1030694400.db2.gz YHVUYCOBXBNSCL-BAYUQKDNSA-N 2 1 386.584 3.534 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001223681096 1030702391 /nfs/dbraw/zinc/70/23/91/1030702391.db2.gz KOHFPECAJIYYCE-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CC[C@]24CC[NH2+]C4)c1-3 ZINC001218116433 1030781819 /nfs/dbraw/zinc/78/18/19/1030781819.db2.gz JXWSBYXZKWSZEU-LJFZDNNRSA-N 2 1 376.500 3.665 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218337271 1030900888 /nfs/dbraw/zinc/90/08/88/1030900888.db2.gz WGPFOHLCCTUEPD-YKSBVNFPSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@H](COc1ccccc1)OCCCOc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218373512 1030912894 /nfs/dbraw/zinc/91/28/94/1030912894.db2.gz YMBHYPHRLZFCJV-HXUWFJFHSA-N 2 1 398.547 3.863 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[C@H]4C[NH2+]C[C@H]42)c1-3 ZINC001218469985 1030951122 /nfs/dbraw/zinc/95/11/22/1030951122.db2.gz YVGSNDNHUQHJNU-HKJQZYRSSA-N 2 1 376.500 3.521 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC001224734825 1031093298 /nfs/dbraw/zinc/09/32/98/1031093298.db2.gz ISZMGYDLUPMMIL-RTBURBONSA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001224734825 1031093317 /nfs/dbraw/zinc/09/33/17/1031093317.db2.gz ISZMGYDLUPMMIL-RTBURBONSA-N 2 1 380.621 3.697 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001224734825 1031093336 /nfs/dbraw/zinc/09/33/36/1031093336.db2.gz ISZMGYDLUPMMIL-RTBURBONSA-N 2 1 380.621 3.697 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC001224845870 1031146747 /nfs/dbraw/zinc/14/67/47/1031146747.db2.gz QKPIMVMGAXFLPB-ZVDOUQERSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC001224845870 1031146756 /nfs/dbraw/zinc/14/67/56/1031146756.db2.gz QKPIMVMGAXFLPB-ZVDOUQERSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC001224845870 1031146765 /nfs/dbraw/zinc/14/67/65/1031146765.db2.gz QKPIMVMGAXFLPB-ZVDOUQERSA-N 2 1 392.632 3.839 20 0 GHADMP CC[N@@H+](CCCC(=O)Nc1cccc2c1C[NH2+]C2)[C@@H](C)Cc1ccc(OC)cc1 ZINC001218993392 1031199350 /nfs/dbraw/zinc/19/93/50/1031199350.db2.gz NQSKAZXHPAYEJK-SFHVURJKSA-N 2 1 395.547 3.970 20 0 GHADMP C[N@@H+]1[C@@H](C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001218997959 1031203132 /nfs/dbraw/zinc/20/31/32/1031203132.db2.gz MEELBSGAWVVLMV-SQWJVJANSA-N 2 1 391.515 3.546 20 0 GHADMP C[N@H+]1[C@@H](C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001218997959 1031203139 /nfs/dbraw/zinc/20/31/39/1031203139.db2.gz MEELBSGAWVVLMV-SQWJVJANSA-N 2 1 391.515 3.546 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)Cc3ccc(CC[NH3+])cc3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046800 1031227163 /nfs/dbraw/zinc/22/71/63/1031227163.db2.gz JDDKVIAYAUBSCA-HSZRJFAPSA-N 2 1 399.538 3.946 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C3([NH3+])Cc4ccccc4C3)cccc2[C@H](c2ccccc2)C1 ZINC001219046365 1031227844 /nfs/dbraw/zinc/22/78/44/1031227844.db2.gz BJKBXMKVRGXPKC-QFIPXVFZSA-N 2 1 397.522 3.699 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)C(F)(F)C3CC[NH2+]CC3)cccc2[C@@H](c2ccccc2)C1 ZINC001219046882 1031228400 /nfs/dbraw/zinc/22/84/00/1031228400.db2.gz LFNIHOQOKFKGPU-LJQANCHMSA-N 2 1 399.485 3.837 20 0 GHADMP c1cc(CC[NH+]2CCOCC2)cc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001204380149 1031319870 /nfs/dbraw/zinc/31/98/70/1031319870.db2.gz VKEAOSGQEBOISF-UHFFFAOYSA-N 2 1 379.548 3.943 20 0 GHADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC001219645777 1031536649 /nfs/dbraw/zinc/53/66/49/1031536649.db2.gz MZZUUTDJBQNTET-HOCLYGCPSA-N 2 1 398.378 3.567 20 0 GHADMP CCN(C(=O)Nc1ccnc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001219713325 1031574450 /nfs/dbraw/zinc/57/44/50/1031574450.db2.gz OIKNDWUUNPAVKG-XMSQKQJNSA-N 2 1 395.551 3.833 20 0 GHADMP CCN(C(=O)Nc1ccnc(C[NH+](C)C)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001219713325 1031574465 /nfs/dbraw/zinc/57/44/65/1031574465.db2.gz OIKNDWUUNPAVKG-XMSQKQJNSA-N 2 1 395.551 3.833 20 0 GHADMP C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001226057081 1031762741 /nfs/dbraw/zinc/76/27/41/1031762741.db2.gz JDWJUIICEMIEJM-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001226057081 1031762752 /nfs/dbraw/zinc/76/27/52/1031762752.db2.gz JDWJUIICEMIEJM-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001226057081 1031762768 /nfs/dbraw/zinc/76/27/68/1031762768.db2.gz JDWJUIICEMIEJM-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001226057081 1031762784 /nfs/dbraw/zinc/76/27/84/1031762784.db2.gz JDWJUIICEMIEJM-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001226057081 1031762793 /nfs/dbraw/zinc/76/27/93/1031762793.db2.gz JDWJUIICEMIEJM-URVUXULASA-N 2 1 398.595 3.555 20 0 GHADMP CC[N@@H+](CCCC(=O)NC[C@@H]([NH3+])c1ccccc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001220499986 1031965954 /nfs/dbraw/zinc/96/59/54/1031965954.db2.gz GDTSKGLYQSXCRA-AUSIDOKSSA-N 2 1 397.563 3.545 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc(OC)c1OCc1ccccc1 ZINC001461834185 1069778963 /nfs/dbraw/zinc/77/89/63/1069778963.db2.gz YCFFYYMNDQYFET-QHAWAJNXSA-N 2 1 396.531 3.713 20 0 GHADMP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001461836672 1069781411 /nfs/dbraw/zinc/78/14/11/1069781411.db2.gz AOHPYKDPYNUHPR-UPVQGACJSA-N 2 1 385.596 3.773 20 0 GHADMP CC(=O)NC[C@@H]1CCC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001461836672 1069781422 /nfs/dbraw/zinc/78/14/22/1069781422.db2.gz AOHPYKDPYNUHPR-UPVQGACJSA-N 2 1 385.596 3.773 20 0 GHADMP CC(=O)NC[C@@H]1CCC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001461836672 1069781433 /nfs/dbraw/zinc/78/14/33/1069781433.db2.gz AOHPYKDPYNUHPR-UPVQGACJSA-N 2 1 385.596 3.773 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(Br)c(Br)c2)CC1 ZINC001205571443 1033473560 /nfs/dbraw/zinc/47/35/60/1033473560.db2.gz UOTHTFCJDIAOHH-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(Br)c(Br)c2)CC1 ZINC001205571443 1033473565 /nfs/dbraw/zinc/47/35/65/1033473565.db2.gz UOTHTFCJDIAOHH-CQSZACIVSA-N 2 1 394.126 3.865 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC001205576882 1033476109 /nfs/dbraw/zinc/47/61/09/1033476109.db2.gz IUYJWWCWYRNHOU-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC001205576882 1033476119 /nfs/dbraw/zinc/47/61/19/1033476119.db2.gz IUYJWWCWYRNHOU-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC001205576882 1033476122 /nfs/dbraw/zinc/47/61/22/1033476122.db2.gz IUYJWWCWYRNHOU-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CC[C@@H]21 ZINC001205576882 1033476128 /nfs/dbraw/zinc/47/61/28/1033476128.db2.gz IUYJWWCWYRNHOU-GIWBLDEGSA-N 2 1 377.536 3.738 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c2n1 ZINC001205580127 1033477730 /nfs/dbraw/zinc/47/77/30/1033477730.db2.gz QHSNVJDSAJVDJP-GOSISDBHSA-N 2 1 396.304 3.659 20 0 GHADMP Cc1ccc(F)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001205623822 1033497789 /nfs/dbraw/zinc/49/77/89/1033497789.db2.gz GSHNFOHLQIYTMN-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc3c(c(OCc4ccccc4)c2)OCO3)CC[C@@H]1C[NH3+] ZINC001205651476 1033511669 /nfs/dbraw/zinc/51/16/69/1033511669.db2.gz FMTQRMVTVZNJCB-YLJYHZDGSA-N 2 1 382.504 3.801 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001205677866 1033526272 /nfs/dbraw/zinc/52/62/72/1033526272.db2.gz IYCUSOZYNOKCFB-UHFFFAOYSA-N 2 1 387.568 3.970 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2-c2cccc(Br)n2)CCC1(F)F ZINC001205771223 1033566748 /nfs/dbraw/zinc/56/67/48/1033566748.db2.gz SEYRJSDVUMHVOY-AWEZNQCLSA-N 2 1 396.279 3.927 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2-c2cccc(Br)n2)CCC1(F)F ZINC001205771223 1033566754 /nfs/dbraw/zinc/56/67/54/1033566754.db2.gz SEYRJSDVUMHVOY-AWEZNQCLSA-N 2 1 396.279 3.927 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)s2)cc1OC ZINC001206318920 1033793542 /nfs/dbraw/zinc/79/35/42/1033793542.db2.gz VDUPWDWVZCKXGC-FQEVSTJZSA-N 2 1 375.538 3.778 20 0 GHADMP CCN(C)c1cc[nH+]c(N2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC001158087907 1033907189 /nfs/dbraw/zinc/90/71/89/1033907189.db2.gz FMKZPHRAXKENDI-UHFFFAOYSA-N 2 1 393.457 3.710 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H](C)[NH2+][C@H](C)C3)n2)CCC4)CC1 ZINC001158176448 1033954723 /nfs/dbraw/zinc/95/47/23/1033954723.db2.gz FJVNSSSJXXJSGI-HZPDHXFCSA-N 2 1 399.608 3.599 20 0 GHADMP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001206817007 1033997471 /nfs/dbraw/zinc/99/74/71/1033997471.db2.gz PEKWXBNEWFORET-QGZVFWFLSA-N 2 1 386.496 3.640 20 0 GHADMP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001206817007 1033997478 /nfs/dbraw/zinc/99/74/78/1033997478.db2.gz PEKWXBNEWFORET-QGZVFWFLSA-N 2 1 386.496 3.640 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2cc(C)nc(Cl)c2)c1 ZINC001158320537 1034021828 /nfs/dbraw/zinc/02/18/28/1034021828.db2.gz OINMNWYHOIHWOY-UHFFFAOYSA-N 2 1 382.842 3.755 20 0 GHADMP FC(F)(F)[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc(N2CCCC2)cc[nH+]1 ZINC001158553182 1034151229 /nfs/dbraw/zinc/15/12/29/1034151229.db2.gz ZFPPOODHUBDSKX-IBGZPJMESA-N 2 1 390.453 3.935 20 0 GHADMP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1cc(N2CCCC2)cc[nH+]1 ZINC001158553182 1034151235 /nfs/dbraw/zinc/15/12/35/1034151235.db2.gz ZFPPOODHUBDSKX-IBGZPJMESA-N 2 1 390.453 3.935 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC2)C1 ZINC001207200204 1034170417 /nfs/dbraw/zinc/17/04/17/1034170417.db2.gz XWVIKWGAKHNPBM-LVCYWYKZSA-N 2 1 390.955 3.793 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCOCc1ccccc1)CC2 ZINC001207234709 1034201514 /nfs/dbraw/zinc/20/15/14/1034201514.db2.gz XWCWRKTWZMUJLW-XMMPIXPASA-N 2 1 394.559 3.959 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001207244562 1034206198 /nfs/dbraw/zinc/20/61/98/1034206198.db2.gz DMJUDXOIEXGCFB-VQTJNVASSA-N 2 1 379.589 3.974 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001207244563 1034207053 /nfs/dbraw/zinc/20/70/53/1034207053.db2.gz DMJUDXOIEXGCFB-WOJBJXKFSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268416 1034223971 /nfs/dbraw/zinc/22/39/71/1034223971.db2.gz LTWRIRRTYJLLLD-PDYGVTHMSA-N 2 1 377.573 3.773 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268416 1034223981 /nfs/dbraw/zinc/22/39/81/1034223981.db2.gz LTWRIRRTYJLLLD-PDYGVTHMSA-N 2 1 377.573 3.773 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268416 1034223994 /nfs/dbraw/zinc/22/39/94/1034223994.db2.gz LTWRIRRTYJLLLD-PDYGVTHMSA-N 2 1 377.573 3.773 20 0 GHADMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCC2(F)F ZINC001207279976 1034232971 /nfs/dbraw/zinc/23/29/71/1034232971.db2.gz QBOUPECMAIDIDW-LJQANCHMSA-N 2 1 389.531 3.542 20 0 GHADMP CC(C)(C)OC(=O)N1CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC12CC2 ZINC001207292780 1034245679 /nfs/dbraw/zinc/24/56/79/1034245679.db2.gz ZKKPRYMOOSUPGL-UHFFFAOYSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207376738 1034321236 /nfs/dbraw/zinc/32/12/36/1034321236.db2.gz ZQMDOOSDLYAQOI-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001207376738 1034321242 /nfs/dbraw/zinc/32/12/42/1034321242.db2.gz ZQMDOOSDLYAQOI-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001207376738 1034321248 /nfs/dbraw/zinc/32/12/48/1034321248.db2.gz ZQMDOOSDLYAQOI-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001207376738 1034321251 /nfs/dbraw/zinc/32/12/51/1034321251.db2.gz ZQMDOOSDLYAQOI-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP C[NH+]1CCC(C[N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001207402083 1034343192 /nfs/dbraw/zinc/34/31/92/1034343192.db2.gz WHIPIPQNZDZDDN-DEOSSOPVSA-N 2 1 391.559 3.632 20 0 GHADMP COc1ccccc1CC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001207452835 1034374688 /nfs/dbraw/zinc/37/46/88/1034374688.db2.gz RENTUHSUPMYMKV-QHCPKHFHSA-N 2 1 394.559 3.993 20 0 GHADMP CC(C)c1ccc(CC[NH+]2CCC([NH+]3CCC(C(=O)N(C)C)CC3)CC2)cc1 ZINC001207520352 1034424149 /nfs/dbraw/zinc/42/41/49/1034424149.db2.gz CBSZQMMNAQKRTI-UHFFFAOYSA-N 2 1 385.596 3.617 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001159287984 1034524998 /nfs/dbraw/zinc/52/49/98/1034524998.db2.gz IHJRATLGTKULEU-MZADTFQBSA-N 2 1 377.536 3.993 20 0 GHADMP Cc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC001159287984 1034525001 /nfs/dbraw/zinc/52/50/01/1034525001.db2.gz IHJRATLGTKULEU-MZADTFQBSA-N 2 1 377.536 3.993 20 0 GHADMP Cc1nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC001159287984 1034525017 /nfs/dbraw/zinc/52/50/17/1034525017.db2.gz IHJRATLGTKULEU-MZADTFQBSA-N 2 1 377.536 3.993 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2nccc(C4CC[NH2+]CC4)n2)C3)cc1 ZINC001159294436 1034529952 /nfs/dbraw/zinc/52/99/52/1034529952.db2.gz SZNSZJILFZASOU-MZADTFQBSA-N 2 1 377.536 3.551 20 0 GHADMP C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001207768703 1034568062 /nfs/dbraw/zinc/56/80/62/1034568062.db2.gz ZRQIGCHWZFISOF-FQEVSTJZSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](CCC1CN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001207768703 1034568071 /nfs/dbraw/zinc/56/80/71/1034568071.db2.gz ZRQIGCHWZFISOF-FQEVSTJZSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](CCC1CN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001207768703 1034568078 /nfs/dbraw/zinc/56/80/78/1034568078.db2.gz ZRQIGCHWZFISOF-FQEVSTJZSA-N 2 1 387.568 3.697 20 0 GHADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)o1 ZINC001207783785 1034574936 /nfs/dbraw/zinc/57/49/36/1034574936.db2.gz PIKIVLUBSJVQCE-OKZBNKHCSA-N 2 1 382.504 3.895 20 0 GHADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cc1C ZINC001231484425 1034629989 /nfs/dbraw/zinc/62/99/89/1034629989.db2.gz YJVODWARITWVEL-DHIUTWEWSA-N 2 1 383.580 3.519 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001231501824 1034646433 /nfs/dbraw/zinc/64/64/33/1034646433.db2.gz SKPKYQGATDMTHN-UHFFFAOYSA-N 2 1 385.577 3.820 20 0 GHADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231534261 1034688368 /nfs/dbraw/zinc/68/83/68/1034688368.db2.gz VAHZNQDBCUQVMC-ACIOBRDBSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231534261 1034688375 /nfs/dbraw/zinc/68/83/75/1034688375.db2.gz VAHZNQDBCUQVMC-ACIOBRDBSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231534261 1034688380 /nfs/dbraw/zinc/68/83/80/1034688380.db2.gz VAHZNQDBCUQVMC-ACIOBRDBSA-N 2 1 394.563 3.996 20 0 GHADMP CC(C)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231534261 1034688386 /nfs/dbraw/zinc/68/83/86/1034688386.db2.gz VAHZNQDBCUQVMC-ACIOBRDBSA-N 2 1 394.563 3.996 20 0 GHADMP Cc1ccc([C@H](C)CC[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)o1 ZINC001208157038 1034762248 /nfs/dbraw/zinc/76/22/48/1034762248.db2.gz SJVDCTNBQKTYAS-GFRNBQLOSA-N 2 1 397.567 3.548 20 0 GHADMP Cc1ccc([C@H](C)CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)o1 ZINC001208157038 1034762257 /nfs/dbraw/zinc/76/22/57/1034762257.db2.gz SJVDCTNBQKTYAS-GFRNBQLOSA-N 2 1 397.567 3.548 20 0 GHADMP Cc1ccc([C@H](C)CC[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)o1 ZINC001208157038 1034762267 /nfs/dbraw/zinc/76/22/67/1034762267.db2.gz SJVDCTNBQKTYAS-GFRNBQLOSA-N 2 1 397.567 3.548 20 0 GHADMP CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)CC1 ZINC001208171643 1034770920 /nfs/dbraw/zinc/77/09/20/1034770920.db2.gz VERKIRCLJMGRAM-JTYPQFNSSA-N 2 1 390.612 3.959 20 0 GHADMP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CCCC1 ZINC001208185498 1034782432 /nfs/dbraw/zinc/78/24/32/1034782432.db2.gz OVAYAWRFKHSKNG-QXAKKESOSA-N 2 1 375.582 3.904 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CCCC1 ZINC001208185498 1034782440 /nfs/dbraw/zinc/78/24/40/1034782440.db2.gz OVAYAWRFKHSKNG-QXAKKESOSA-N 2 1 375.582 3.904 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@H](C)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC001208213223 1034803458 /nfs/dbraw/zinc/80/34/58/1034803458.db2.gz HJFUQWZGZWIWDK-MSOLQXFVSA-N 2 1 398.551 3.707 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3cc[nH]c3cn1)CC2 ZINC001231666556 1034821536 /nfs/dbraw/zinc/82/15/36/1034821536.db2.gz OFDOVMFSUOLEBS-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP Nc1c(F)cccc1N(C1=CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001160063139 1034848628 /nfs/dbraw/zinc/84/86/28/1034848628.db2.gz SGOMESXIBIPCSV-UHFFFAOYSA-N 2 1 380.511 3.756 20 0 GHADMP COc1c(Cl)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC001231726833 1034864893 /nfs/dbraw/zinc/86/48/93/1034864893.db2.gz ZRRVLSGUPFBBPG-UHFFFAOYSA-N 2 1 375.738 3.885 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3-c3ccc(F)cc3)CC[C@@H]2C1 ZINC001231824087 1034930843 /nfs/dbraw/zinc/93/08/43/1034930843.db2.gz WTNNBVXRYJYBLN-ZJSXRUAMSA-N 2 1 398.522 3.662 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3-c3ccc(F)cc3)CC[C@@H]2C1 ZINC001231824087 1034930845 /nfs/dbraw/zinc/93/08/45/1034930845.db2.gz WTNNBVXRYJYBLN-ZJSXRUAMSA-N 2 1 398.522 3.662 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3-c3ccc(F)cc3)CC[C@@H]2C1 ZINC001231824087 1034930850 /nfs/dbraw/zinc/93/08/50/1034930850.db2.gz WTNNBVXRYJYBLN-ZJSXRUAMSA-N 2 1 398.522 3.662 20 0 GHADMP Cc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001231847423 1034940436 /nfs/dbraw/zinc/94/04/36/1034940436.db2.gz HINOJUYITZHRTA-LOSJGSFVSA-N 2 1 393.575 3.784 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001208593183 1034948112 /nfs/dbraw/zinc/94/81/12/1034948112.db2.gz PMPHHERGQZFZRQ-VXKWHMMOSA-N 2 1 399.579 3.937 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC[C@]3(CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001208593258 1034948925 /nfs/dbraw/zinc/94/89/25/1034948925.db2.gz RVMCKLGAYKHQFR-QFIPXVFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)C1 ZINC001208613268 1034955009 /nfs/dbraw/zinc/95/50/09/1034955009.db2.gz LLHPENJMQBIJBZ-IBGZPJMESA-N 2 1 389.547 3.918 20 0 GHADMP CCCCC[C@H]([NH2+]C)C(=O)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001160413829 1034966860 /nfs/dbraw/zinc/96/68/60/1034966860.db2.gz PSQCUDQZWWDHTB-IBGZPJMESA-N 2 1 380.492 3.688 20 0 GHADMP [NH3+]C12CCC(C(=O)N3CC(c4[nH+]cn5cc(-c6ccoc6)ccc45)C3)(CC1)CC2 ZINC001160412821 1034966926 /nfs/dbraw/zinc/96/69/26/1034966926.db2.gz FQDPCBLRTWGRHO-UHFFFAOYSA-N 2 1 390.487 3.572 20 0 GHADMP CC(=O)N1CCC(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)CC1 ZINC001208676171 1034978885 /nfs/dbraw/zinc/97/88/85/1034978885.db2.gz DHTKRONXKDILGE-UHFFFAOYSA-N 2 1 397.607 3.932 20 0 GHADMP C[NH2+]Cc1ccc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC001160456871 1034980084 /nfs/dbraw/zinc/98/00/84/1034980084.db2.gz RJWRQAXWQQXBBL-UHFFFAOYSA-N 2 1 394.906 3.570 20 0 GHADMP [NH3+]C[C@@]1(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)C[NH+]2CCC1CC2 ZINC001160511550 1034992648 /nfs/dbraw/zinc/99/26/48/1034992648.db2.gz OOZTYEGFEHJRBH-XMMPIXPASA-N 2 1 385.515 3.646 20 0 GHADMP c1[nH]nc2c1cccc2C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001231971634 1035017091 /nfs/dbraw/zinc/01/70/91/1035017091.db2.gz WQPBWTPMGMNLMJ-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2c1cccc2C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001231971634 1035017098 /nfs/dbraw/zinc/01/70/98/1035017098.db2.gz WQPBWTPMGMNLMJ-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2c1cccc2C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001231971634 1035017107 /nfs/dbraw/zinc/01/71/07/1035017107.db2.gz WQPBWTPMGMNLMJ-VWNXMTODSA-N 2 1 394.563 3.523 20 0 GHADMP Cc1cc(F)ncc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001231982537 1035023082 /nfs/dbraw/zinc/02/30/82/1035023082.db2.gz DYEJNDKLYWKNGX-OAQYLSRUSA-N 2 1 383.511 3.785 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)C2)CC1 ZINC001160650524 1035025593 /nfs/dbraw/zinc/02/55/93/1035025593.db2.gz JENSAIBHLNANAF-PUHATCMVSA-N 2 1 383.580 3.650 20 0 GHADMP CC(C)Oc1ncccc1CCN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800896 1035028607 /nfs/dbraw/zinc/02/86/07/1035028607.db2.gz FCNZSQAQGRHVOX-PKTZIBPZSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800896 1035028617 /nfs/dbraw/zinc/02/86/17/1035028617.db2.gz FCNZSQAQGRHVOX-PKTZIBPZSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800896 1035028627 /nfs/dbraw/zinc/02/86/27/1035028627.db2.gz FCNZSQAQGRHVOX-PKTZIBPZSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800896 1035028635 /nfs/dbraw/zinc/02/86/35/1035028635.db2.gz FCNZSQAQGRHVOX-PKTZIBPZSA-N 2 1 379.548 3.865 20 0 GHADMP CC(C)Oc1ncccc1CC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001208800896 1035028642 /nfs/dbraw/zinc/02/86/42/1035028642.db2.gz FCNZSQAQGRHVOX-PKTZIBPZSA-N 2 1 379.548 3.865 20 0 GHADMP O=C([C@@H]1CCCC[NH2+]C1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160680216 1035033534 /nfs/dbraw/zinc/03/35/34/1035033534.db2.gz RONNZEKQLVXPOU-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP C[NH+]1CCC(CN2CC[NH+](CCCc3ccccc3C(F)(F)F)CC2)CC1 ZINC001208834997 1035049585 /nfs/dbraw/zinc/04/95/85/1035049585.db2.gz PDCZVXYCSGKUDX-UHFFFAOYSA-N 2 1 383.502 3.597 20 0 GHADMP COc1cccc2[nH]cc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c21 ZINC001232037747 1035055532 /nfs/dbraw/zinc/05/55/32/1035055532.db2.gz MKBKZEPVJGFAOQ-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1cccc2[nH]cc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccncc5)C[C@H]4C3)c21 ZINC001232037747 1035055540 /nfs/dbraw/zinc/05/55/40/1035055540.db2.gz MKBKZEPVJGFAOQ-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1cccc2[nH]cc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccncc5)C[C@H]4C3)c21 ZINC001232037747 1035055549 /nfs/dbraw/zinc/05/55/49/1035055549.db2.gz MKBKZEPVJGFAOQ-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP COc1cccc2[nH]cc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccncc5)C[C@H]4C3)c21 ZINC001232037747 1035055559 /nfs/dbraw/zinc/05/55/59/1035055559.db2.gz MKBKZEPVJGFAOQ-QUCCMNQESA-N 2 1 376.504 3.525 20 0 GHADMP CCOC(=O)c1ccc(CCC[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208865669 1035067086 /nfs/dbraw/zinc/06/70/86/1035067086.db2.gz IVGHOPLYDRGXPF-SFTDATJTSA-N 2 1 398.572 3.921 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001160808313 1035070512 /nfs/dbraw/zinc/07/05/12/1035070512.db2.gz NQPYMCYADGCGHI-JOCHJYFZSA-N 2 1 385.596 3.773 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCCc1ccccc1Cl)C2 ZINC001208875368 1035072523 /nfs/dbraw/zinc/07/25/23/1035072523.db2.gz UZFMQLZCAGSDCD-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCCc1ccccc1Cl)C2 ZINC001208875368 1035072503 /nfs/dbraw/zinc/07/25/03/1035072503.db2.gz UZFMQLZCAGSDCD-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCCc1ccccc1Cl)C2 ZINC001208875368 1035072513 /nfs/dbraw/zinc/07/25/13/1035072513.db2.gz UZFMQLZCAGSDCD-UNMCSNQZSA-N 2 1 376.972 3.953 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208930918 1035094369 /nfs/dbraw/zinc/09/43/69/1035094369.db2.gz GDSJFYQFNGNXAZ-FSSWDIPSSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208930918 1035094377 /nfs/dbraw/zinc/09/43/77/1035094377.db2.gz GDSJFYQFNGNXAZ-FSSWDIPSSA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208930918 1035094384 /nfs/dbraw/zinc/09/43/84/1035094384.db2.gz GDSJFYQFNGNXAZ-FSSWDIPSSA-N 2 1 399.579 3.982 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CN(C[C@H]4CCC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208935763 1035101939 /nfs/dbraw/zinc/10/19/39/1035101939.db2.gz LJWBAMCPFDVKQK-JIMJEQGWSA-N 2 1 389.587 3.962 20 0 GHADMP O=C(NC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1)C1CCCC1 ZINC001208936210 1035103154 /nfs/dbraw/zinc/10/31/54/1035103154.db2.gz MPKLMDOKHQRYEZ-OAQYLSRUSA-N 2 1 383.580 3.669 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208936229 1035103468 /nfs/dbraw/zinc/10/34/68/1035103468.db2.gz NZCFUZWCAZBJKW-MLNNCEHLSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208936229 1035103472 /nfs/dbraw/zinc/10/34/72/1035103472.db2.gz NZCFUZWCAZBJKW-MLNNCEHLSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[NH+]2C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208936229 1035103477 /nfs/dbraw/zinc/10/34/77/1035103477.db2.gz NZCFUZWCAZBJKW-MLNNCEHLSA-N 2 1 399.579 3.886 20 0 GHADMP O=C1[C@H]2C[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2CN1c1ccsc1 ZINC001208937906 1035104756 /nfs/dbraw/zinc/10/47/56/1035104756.db2.gz YFWDVDVKWKBBNQ-ONTIZHBOSA-N 2 1 395.572 3.555 20 0 GHADMP O=C1[C@H]2C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]2CN1c1ccsc1 ZINC001208937906 1035104761 /nfs/dbraw/zinc/10/47/61/1035104761.db2.gz YFWDVDVKWKBBNQ-ONTIZHBOSA-N 2 1 395.572 3.555 20 0 GHADMP O=C1[C@H]2C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]2CN1c1ccsc1 ZINC001208937906 1035104767 /nfs/dbraw/zinc/10/47/67/1035104767.db2.gz YFWDVDVKWKBBNQ-ONTIZHBOSA-N 2 1 395.572 3.555 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)C1(CC2CCC2)CC[NH2+]CC1 ZINC001160955955 1035105703 /nfs/dbraw/zinc/10/57/03/1035105703.db2.gz CZNVFEGJUWDEOM-REWPJTCUSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938435 1035106457 /nfs/dbraw/zinc/10/64/57/1035106457.db2.gz ZHJDKVPQEPEKSO-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938435 1035106460 /nfs/dbraw/zinc/10/64/60/1035106460.db2.gz ZHJDKVPQEPEKSO-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938435 1035106463 /nfs/dbraw/zinc/10/64/63/1035106463.db2.gz ZHJDKVPQEPEKSO-LEWJYISDSA-N 2 1 387.568 3.745 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+]4CCc5ccccc5[C@@H]4C3)C2)cc1 ZINC001208939862 1035107689 /nfs/dbraw/zinc/10/76/89/1035107689.db2.gz KILARFLEOVCSBE-DHLKQENFSA-N 2 1 375.560 3.814 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)C2)cc1 ZINC001208939862 1035107693 /nfs/dbraw/zinc/10/76/93/1035107693.db2.gz KILARFLEOVCSBE-DHLKQENFSA-N 2 1 375.560 3.814 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H](CN3CC[N@H+]4CCc5ccccc5[C@@H]4C3)C2)cc1 ZINC001208939862 1035107710 /nfs/dbraw/zinc/10/77/10/1035107710.db2.gz KILARFLEOVCSBE-DHLKQENFSA-N 2 1 375.560 3.814 20 0 GHADMP CC(C)(C)OC(=O)NCCC1C[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939742 1035107743 /nfs/dbraw/zinc/10/77/43/1035107743.db2.gz HVWDPQJNMCAIOK-FQEVSTJZSA-N 2 1 387.568 3.745 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208944567 1035115146 /nfs/dbraw/zinc/11/51/46/1035115146.db2.gz LCBRSOSYTSVNRQ-NZQKXSOJSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208944567 1035115152 /nfs/dbraw/zinc/11/51/52/1035115152.db2.gz LCBRSOSYTSVNRQ-NZQKXSOJSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208944567 1035115159 /nfs/dbraw/zinc/11/51/59/1035115159.db2.gz LCBRSOSYTSVNRQ-NZQKXSOJSA-N 2 1 395.572 3.699 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947871 1035119309 /nfs/dbraw/zinc/11/93/09/1035119309.db2.gz MZNRXCCLHAQCBJ-GMKZXUHWSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947871 1035119312 /nfs/dbraw/zinc/11/93/12/1035119312.db2.gz MZNRXCCLHAQCBJ-GMKZXUHWSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC001208947871 1035119327 /nfs/dbraw/zinc/11/93/27/1035119327.db2.gz MZNRXCCLHAQCBJ-GMKZXUHWSA-N 2 1 392.543 3.787 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232145157 1035122661 /nfs/dbraw/zinc/12/26/61/1035122661.db2.gz WODXFGVVUGRODU-UHFFFAOYSA-N 2 1 384.495 3.551 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232145157 1035122666 /nfs/dbraw/zinc/12/26/66/1035122666.db2.gz WODXFGVVUGRODU-UHFFFAOYSA-N 2 1 384.495 3.551 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001232146037 1035124618 /nfs/dbraw/zinc/12/46/18/1035124618.db2.gz GXVXQZLWSQLHLS-INIZCTEOSA-N 2 1 379.520 3.624 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208953020 1035125050 /nfs/dbraw/zinc/12/50/50/1035125050.db2.gz OCTQYBCFPGRESM-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208953020 1035125058 /nfs/dbraw/zinc/12/50/58/1035125058.db2.gz OCTQYBCFPGRESM-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC001208953020 1035125065 /nfs/dbraw/zinc/12/50/65/1035125065.db2.gz OCTQYBCFPGRESM-YPAWHYETSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@@H]([NH3+])c1ncc(C(=O)N2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)s1 ZINC001161146908 1035159070 /nfs/dbraw/zinc/15/90/70/1035159070.db2.gz SWXYZOYCJOGPTJ-QGZVFWFLSA-N 2 1 398.576 3.681 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC(Nc2ccc(C[N@H+](C)C3CC3)cn2)CC1 ZINC001161153560 1035162148 /nfs/dbraw/zinc/16/21/48/1035162148.db2.gz VZFJKGSCSSBHOM-UHFFFAOYSA-N 2 1 398.526 3.900 20 0 GHADMP COc1ccc(F)cc1C[NH+]1CCC(Nc2ccc(C[N@@H+](C)C3CC3)cn2)CC1 ZINC001161153560 1035162149 /nfs/dbraw/zinc/16/21/49/1035162149.db2.gz VZFJKGSCSSBHOM-UHFFFAOYSA-N 2 1 398.526 3.900 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@@H]([NH3+])Cc1csc2ccccc12 ZINC001161161114 1035163418 /nfs/dbraw/zinc/16/34/18/1035163418.db2.gz NIWNAYROWCINPQ-FQEVSTJZSA-N 2 1 395.572 3.752 20 0 GHADMP Cc1nc(NCC2CC[NH+](Cc3ccccc3F)CC2)cc(N2CCCC2)[nH+]1 ZINC001161193161 1035174008 /nfs/dbraw/zinc/17/40/08/1035174008.db2.gz DLJCYJKZSLTWCV-UHFFFAOYSA-N 2 1 383.515 3.848 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209311662 1035238464 /nfs/dbraw/zinc/23/84/64/1035238464.db2.gz IFYNLWBMBWIKPM-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209311662 1035238468 /nfs/dbraw/zinc/23/84/68/1035238468.db2.gz IFYNLWBMBWIKPM-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CCCN(C(=O)OC(C)(C)C)C3CCCCC3)C[C@@H]2C1 ZINC001209311662 1035238471 /nfs/dbraw/zinc/23/84/71/1035238471.db2.gz IFYNLWBMBWIKPM-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP CCOC(=O)c1ccc(-c2cc3c(nc[nH+]c3NCCCC[NH+](C)C)[nH]2)cc1 ZINC001161724213 1035290542 /nfs/dbraw/zinc/29/05/42/1035290542.db2.gz ARQVXOXFCWEEOF-UHFFFAOYSA-N 2 1 381.480 3.555 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cc5c(cn4)OCCC5)C3)CC2)cc1 ZINC001209503457 1035294300 /nfs/dbraw/zinc/29/43/00/1035294300.db2.gz ZFKJPRJWWKZOPP-UHFFFAOYSA-N 2 1 377.532 3.895 20 0 GHADMP Cc1nc(CN2CCO[C@@H]3C[N@@H+](Cc4ccc5cc[nH]c5c4)CC[C@@H]3C2)cs1 ZINC001209511143 1035298404 /nfs/dbraw/zinc/29/84/04/1035298404.db2.gz NLDVOXXDMSCPRE-DENIHFKCSA-N 2 1 396.560 3.656 20 0 GHADMP CC(C)[NH+]1CCN(c2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)cn2)CC1 ZINC001241504748 1035597953 /nfs/dbraw/zinc/59/79/53/1035597953.db2.gz ZGKRKVICMWNLLU-UHFFFAOYSA-N 2 1 376.548 3.901 20 0 GHADMP [NH3+][C@H]1CC[C@@H](Cc2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)CC1 ZINC001248222167 1035654708 /nfs/dbraw/zinc/65/47/08/1035654708.db2.gz ALXWOYMDCLEXLB-FRIZHTMISA-N 2 1 381.455 3.668 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248785325 1036146328 /nfs/dbraw/zinc/14/63/28/1036146328.db2.gz WDVMCFDRAWMACS-VXKWHMMOSA-N 2 1 399.579 3.753 20 0 GHADMP Clc1ccn2ncc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)c2n1 ZINC001248880460 1036219504 /nfs/dbraw/zinc/21/95/04/1036219504.db2.gz JTPZKBHVIKEWJU-OALUTQOASA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccn2ncc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)c2n1 ZINC001248880460 1036219519 /nfs/dbraw/zinc/21/95/19/1036219519.db2.gz JTPZKBHVIKEWJU-OALUTQOASA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccn2ncc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)c2n1 ZINC001248880460 1036219536 /nfs/dbraw/zinc/21/95/36/1036219536.db2.gz JTPZKBHVIKEWJU-OALUTQOASA-N 2 1 395.938 3.727 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(N3CC[NH2+]CC3)cc2OC)nc1 ZINC001244286334 1036461999 /nfs/dbraw/zinc/46/19/99/1036461999.db2.gz NCDZVDLESOQLOE-JOCHJYFZSA-N 2 1 380.536 3.714 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1ccccc1Oc1ccccc1 ZINC001245980767 1037105764 /nfs/dbraw/zinc/10/57/64/1037105764.db2.gz JDHMZMUIEVDHIK-FCHUYYIVSA-N 2 1 398.453 3.778 20 0 GHADMP O[C@@H](C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246026765 1037144443 /nfs/dbraw/zinc/14/44/43/1037144443.db2.gz JFBNFTFKTKSPAS-PKTZIBPZSA-N 2 1 380.532 3.523 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001246038028 1037154154 /nfs/dbraw/zinc/15/41/54/1037154154.db2.gz UHMCIFCDPXNZLC-MSNJVRRCSA-N 2 1 388.596 3.659 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001246049752 1037162426 /nfs/dbraw/zinc/16/24/26/1037162426.db2.gz AUCILCVGRYMIGU-HSZRJFAPSA-N 2 1 396.575 3.978 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001246049752 1037162437 /nfs/dbraw/zinc/16/24/37/1037162437.db2.gz AUCILCVGRYMIGU-HSZRJFAPSA-N 2 1 396.575 3.978 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CC[NH2+]C1)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001246058249 1037171191 /nfs/dbraw/zinc/17/11/91/1037171191.db2.gz DBNDHZBLDCJXPB-GOUWZUTHSA-N 2 1 380.532 3.522 20 0 GHADMP CCC[N@@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)C1CC[NH2+]CC1 ZINC001246060015 1037172515 /nfs/dbraw/zinc/17/25/15/1037172515.db2.gz BSOCMVFFOTYNKI-SFHVURJKSA-N 2 1 381.520 3.525 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246066063 1037177471 /nfs/dbraw/zinc/17/74/71/1037177471.db2.gz YMKLWZPKRYTBAJ-AUSIDOKSSA-N 2 1 394.575 3.974 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246066063 1037177481 /nfs/dbraw/zinc/17/74/81/1037177481.db2.gz YMKLWZPKRYTBAJ-AUSIDOKSSA-N 2 1 394.575 3.974 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246065636 1037178347 /nfs/dbraw/zinc/17/83/47/1037178347.db2.gz IGLPJDBMDINAEI-DNVJHFABSA-N 2 1 382.548 3.815 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246070519 1037186026 /nfs/dbraw/zinc/18/60/26/1037186026.db2.gz RTECNTVPYIVSHS-NRFANRHFSA-N 2 1 388.939 3.642 20 0 GHADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001246070519 1037186044 /nfs/dbraw/zinc/18/60/44/1037186044.db2.gz RTECNTVPYIVSHS-NRFANRHFSA-N 2 1 388.939 3.642 20 0 GHADMP FC1(CN[C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246094606 1037194051 /nfs/dbraw/zinc/19/40/51/1037194051.db2.gz VOTISSMQPHWVDB-VDKIKQQVSA-N 2 1 393.550 3.653 20 0 GHADMP FC1(CN[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC001246094606 1037194060 /nfs/dbraw/zinc/19/40/60/1037194060.db2.gz VOTISSMQPHWVDB-VDKIKQQVSA-N 2 1 393.550 3.653 20 0 GHADMP FC1(C[NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)CNC1 ZINC001246094606 1037194068 /nfs/dbraw/zinc/19/40/68/1037194068.db2.gz VOTISSMQPHWVDB-VDKIKQQVSA-N 2 1 393.550 3.653 20 0 GHADMP FC1(C[NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CNC1 ZINC001246094606 1037194082 /nfs/dbraw/zinc/19/40/82/1037194082.db2.gz VOTISSMQPHWVDB-VDKIKQQVSA-N 2 1 393.550 3.653 20 0 GHADMP F[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246130512 1037208233 /nfs/dbraw/zinc/20/82/33/1037208233.db2.gz UCSJFJQKWJTZPH-FXEFVXDJSA-N 2 1 393.550 3.651 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CC[NH2+]C3(CCCCC3)C2)CC[NH2+]CC1 ZINC001246131067 1037208393 /nfs/dbraw/zinc/20/83/93/1037208393.db2.gz WXJGPQJEAXCAHA-GCJKJVERSA-N 2 1 383.580 3.806 20 0 GHADMP Brc1ccc(C2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246184472 1037226474 /nfs/dbraw/zinc/22/64/74/1037226474.db2.gz MBMRSEUQBMGIJE-GOSISDBHSA-N 2 1 392.385 3.540 20 0 GHADMP Brc1ccc(C2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246182307 1037226572 /nfs/dbraw/zinc/22/65/72/1037226572.db2.gz AEGHNOMBPCNJJE-UHFFFAOYSA-N 2 1 392.385 3.540 20 0 GHADMP Ic1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001246196946 1037234109 /nfs/dbraw/zinc/23/41/09/1037234109.db2.gz IWGCSJHLDMKRMJ-MSOLQXFVSA-N 2 1 392.284 3.874 20 0 GHADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001246203321 1037237360 /nfs/dbraw/zinc/23/73/60/1037237360.db2.gz SLAXIFDGMROGIH-UUKMXZOPSA-N 2 1 376.541 3.806 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC001246252290 1037255575 /nfs/dbraw/zinc/25/55/75/1037255575.db2.gz AKEWFUYEVDZNCZ-RBBKRZOGSA-N 2 1 382.504 3.602 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N[C@H]3CC4(CC[NH2+]CC4)c4ccccc43)CC[NH2+]2)cc1 ZINC001246256268 1037257094 /nfs/dbraw/zinc/25/70/94/1037257094.db2.gz NVBPSOHMVCYYBP-LGVFNWMJSA-N 2 1 375.560 3.706 20 0 GHADMP CCCC[C@@H]([NH3+])Cc1cn([C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)c2ccccc12 ZINC001246331208 1037297812 /nfs/dbraw/zinc/29/78/12/1037297812.db2.gz DTDGOOBPUVVPNR-HBFSDRIKSA-N 2 1 385.552 3.946 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[C@]3(CC[NH2+]C3)C2)c2ccccc12 ZINC001246357717 1037317835 /nfs/dbraw/zinc/31/78/35/1037317835.db2.gz YERSUWKOLOWDOY-WXVUKLJWSA-N 2 1 397.563 3.948 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CC[NH2+]1 ZINC001246374079 1037330873 /nfs/dbraw/zinc/33/08/73/1037330873.db2.gz JWHJMCHXDCVILT-JTHBVZDNSA-N 3 1 381.539 3.838 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([NH2+]Cc3ccc4nnc(-c5ccccc5)n4c3)CC[NH2+]2)cc1 ZINC001246385957 1037346912 /nfs/dbraw/zinc/34/69/12/1037346912.db2.gz GGUCYEKDUWNOEK-PKTZIBPZSA-N 2 1 397.526 3.849 20 0 GHADMP CC(C)[C@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246435732 1037396979 /nfs/dbraw/zinc/39/69/79/1037396979.db2.gz KPACELIGBBKKEH-RTBURBONSA-N 3 1 383.502 3.818 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC3CCOCC3)c(F)c2)CC[NH2+]1 ZINC001246440209 1037401563 /nfs/dbraw/zinc/40/15/63/1037401563.db2.gz GSYHJITZAKSZBM-GHTZIAJQSA-N 2 1 378.532 3.887 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(Br)c2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246442723 1037405202 /nfs/dbraw/zinc/40/52/02/1037405202.db2.gz PVBRMJCEGAZRLS-GUDVDZBRSA-N 3 1 380.374 3.663 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(Br)c2)[C@@H]2CCCC[NH2+]C2)CC1 ZINC001246442723 1037405217 /nfs/dbraw/zinc/40/52/17/1037405217.db2.gz PVBRMJCEGAZRLS-GUDVDZBRSA-N 3 1 380.374 3.663 20 0 GHADMP CC1([NH2+][C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CCN(Cc2ccccc2)CC1 ZINC001246468536 1037420453 /nfs/dbraw/zinc/42/04/53/1037420453.db2.gz YPUPNCATLFFXQB-DNQXCXABSA-N 2 1 377.576 3.994 20 0 GHADMP CC1(C)C[C@H](N[C@H]([C@@H]2CCC[NH2+]C2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246480556 1037428506 /nfs/dbraw/zinc/42/85/06/1037428506.db2.gz CSUPLEHZTXNHLW-GUDVDZBRSA-N 2 1 383.502 3.950 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)C(=O)OCc1ccccc1 ZINC001246485365 1037432454 /nfs/dbraw/zinc/43/24/54/1037432454.db2.gz KJFLIEHELFAVIB-DNVJHFABSA-N 2 1 396.531 3.737 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](OC(=O)NC(C)(C)C)C2)CC[NH2+]1 ZINC001246495945 1037441515 /nfs/dbraw/zinc/44/15/15/1037441515.db2.gz CLAQMGVCPMYMRP-AJYBTWMASA-N 2 1 391.531 3.963 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001246500185 1037444134 /nfs/dbraw/zinc/44/41/34/1037444134.db2.gz GQLOSTMQIHEBDF-SFHVURJKSA-N 2 1 395.975 3.738 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001246548602 1037477174 /nfs/dbraw/zinc/47/71/74/1037477174.db2.gz FJLHFXXANBVMRI-ZIMDUQAISA-N 2 1 378.944 3.610 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246590549 1037492074 /nfs/dbraw/zinc/49/20/74/1037492074.db2.gz AGGATTUTAQJUTQ-RRJCBXKSSA-N 2 1 377.576 3.945 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246605658 1037501857 /nfs/dbraw/zinc/50/18/57/1037501857.db2.gz CCJWLKLEKOIRMP-NJEKYYFSSA-N 2 1 390.955 3.911 20 0 GHADMP CC1(C)C[C@H](N2CC(F)(F)CC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001246650177 1037525912 /nfs/dbraw/zinc/52/59/12/1037525912.db2.gz BHGRTBPIALRMAL-LJQANCHMSA-N 2 1 377.523 3.893 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246650077 1037526015 /nfs/dbraw/zinc/52/60/15/1037526015.db2.gz GTYZTFHPBKPJIC-NBGIEHNGSA-N 2 1 391.559 3.541 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246650077 1037526022 /nfs/dbraw/zinc/52/60/22/1037526022.db2.gz GTYZTFHPBKPJIC-NBGIEHNGSA-N 2 1 391.559 3.541 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246650080 1037526142 /nfs/dbraw/zinc/52/61/42/1037526142.db2.gz GTYZTFHPBKPJIC-NLFFAJNJSA-N 2 1 391.559 3.541 20 0 GHADMP C[C@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246650080 1037526150 /nfs/dbraw/zinc/52/61/50/1037526150.db2.gz GTYZTFHPBKPJIC-NLFFAJNJSA-N 2 1 391.559 3.541 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246672968 1037537507 /nfs/dbraw/zinc/53/75/07/1037537507.db2.gz IJTXPUUIHGFFEJ-XPGKHFPBSA-N 2 1 389.587 3.946 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]2CCCC[C@@H]12 ZINC001246674416 1037539976 /nfs/dbraw/zinc/53/99/76/1037539976.db2.gz SWQXYHLMRXPFPJ-KCSJKLDESA-N 2 1 384.564 3.651 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3(O)CCC(c4ccccc4)CC3)CC2)CC1 ZINC000528529707 1037542616 /nfs/dbraw/zinc/54/26/16/1037542616.db2.gz ZZQBLDGDBYMEOS-UHFFFAOYSA-N 2 1 399.623 3.567 20 0 GHADMP C[C@@H]1C[C@H](N2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001246683271 1037546279 /nfs/dbraw/zinc/54/62/79/1037546279.db2.gz IEIZSAABOSJAID-CBRSEMLDSA-N 2 1 389.587 3.903 20 0 GHADMP CCCC[C@H]1C[C@@H](N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC[NH2+]1 ZINC001246702401 1037556494 /nfs/dbraw/zinc/55/64/94/1037556494.db2.gz OKFCVXDTQCOLPE-PMACEKPBSA-N 2 1 391.625 3.726 20 0 GHADMP c1ccc(N2CCC[C@@]3(C2)C[N@@H+](C2CCC4(CCC[NH2+]C4)CC2)CCO3)cc1 ZINC001246714258 1037568205 /nfs/dbraw/zinc/56/82/05/1037568205.db2.gz KAKXWKDFJDNKSU-KXTRFFEISA-N 2 1 383.580 3.670 20 0 GHADMP Cc1cccc(N2CCC[C@@]3(C2)C[N@H+]([C@@H]2CCC4(C2)CC[NH2+]CC4)CCO3)c1 ZINC001246717426 1037569064 /nfs/dbraw/zinc/56/90/64/1037569064.db2.gz IIWAEZBQRPCABX-ISKFKSNPSA-N 2 1 383.580 3.589 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)CC[NH2+]1 ZINC001246718059 1037570457 /nfs/dbraw/zinc/57/04/57/1037570457.db2.gz HRCWWLJCSWPAOR-HWBMXIPRSA-N 2 1 397.607 3.710 20 0 GHADMP Cc1cccc(CN2CC[C@@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)C2=O)c1 ZINC001246729174 1037577331 /nfs/dbraw/zinc/57/73/31/1037577331.db2.gz NRFUBVIAGPMCGP-UPVQGACJSA-N 2 1 395.591 3.874 20 0 GHADMP c1cc(C[N@@H+]2CCC3(C2)CCN([C@@H]2CC[NH2+][C@H](Cc4ccccc4)C2)CC3)co1 ZINC001246749274 1037588128 /nfs/dbraw/zinc/58/81/28/1037588128.db2.gz BVNZKBFPRVHJDF-DNQXCXABSA-N 2 1 393.575 3.931 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCC5(C4)CC[NH2+]CC5)CC3)C2)cc1 ZINC001246749406 1037588682 /nfs/dbraw/zinc/58/86/82/1037588682.db2.gz WKKFUKFSUUKPOJ-HSZRJFAPSA-N 3 1 397.607 3.584 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+]([C@@H]4CCC5(C4)CC[NH2+]CC5)CC3)C2)cc1 ZINC001246749406 1037588701 /nfs/dbraw/zinc/58/87/01/1037588701.db2.gz WKKFUKFSUUKPOJ-HSZRJFAPSA-N 2 1 397.607 3.584 20 0 GHADMP Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+][C@@H](C(C)(C)C)C4)C3)CC2=O)s1 ZINC001246753154 1037593689 /nfs/dbraw/zinc/59/36/89/1037593689.db2.gz BKRDCOFZMWEUBN-CSODHUTKSA-N 2 1 375.582 3.652 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)C1=O ZINC001246773794 1037616406 /nfs/dbraw/zinc/61/64/06/1037616406.db2.gz HGEUGQDQLCAVLA-VWLOTQADSA-N 2 1 395.591 3.945 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)C1=O ZINC001246780876 1037620239 /nfs/dbraw/zinc/62/02/39/1037620239.db2.gz VVPVWIZMZMFANZ-JLGINSKQSA-N 2 1 383.580 3.799 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246805613 1037640180 /nfs/dbraw/zinc/64/01/80/1037640180.db2.gz KLULTRZVEOXQBC-LIONHTAISA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3C[C@H]4[C@@H](CCN4Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246805613 1037640195 /nfs/dbraw/zinc/64/01/95/1037640195.db2.gz KLULTRZVEOXQBC-LIONHTAISA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3C[C@H]4[C@@H](CCN4Cc4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246805613 1037640210 /nfs/dbraw/zinc/64/02/10/1037640210.db2.gz KLULTRZVEOXQBC-LIONHTAISA-N 2 1 375.560 3.556 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)C2 ZINC001246808169 1037642993 /nfs/dbraw/zinc/64/29/93/1037642993.db2.gz RLPLFYUUXMVLAD-CJFMBICVSA-N 2 1 393.575 3.842 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(Br)c3)CC2)CC[NH2+]1 ZINC001246817063 1037650417 /nfs/dbraw/zinc/65/04/17/1037650417.db2.gz ISEAAOOQYCTFIU-IEBWSBKVSA-N 2 1 380.374 3.882 20 0 GHADMP CC[C@H]1C[C@@H]([N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]1 ZINC001246826080 1037658560 /nfs/dbraw/zinc/65/85/60/1037658560.db2.gz VYKLTVVJVNSCKQ-HOTGVXAUSA-N 2 1 378.973 3.992 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)C[C@H]2CCC[NH2+]C2)CC1 ZINC001246839169 1037668732 /nfs/dbraw/zinc/66/87/32/1037668732.db2.gz BRQBNTMUWSDNMA-YQHFOJDRSA-N 2 1 378.944 3.625 20 0 GHADMP c1ccc(C[C@@H]2C[C@@H](N3CCC([N@H+]4CCc5ccccc5C4)CC3)CC[NH2+]2)cc1 ZINC001246848645 1037673702 /nfs/dbraw/zinc/67/37/02/1037673702.db2.gz ZBJOKEZQHMHGKA-RSXGOPAZSA-N 2 1 389.587 3.872 20 0 GHADMP C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001246871867 1037688890 /nfs/dbraw/zinc/68/88/90/1037688890.db2.gz NZHYHDFBOJAKCA-GBXCKJPGSA-N 2 1 377.576 3.952 20 0 GHADMP CC1(C)C[C@H](N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246882279 1037697242 /nfs/dbraw/zinc/69/72/42/1037697242.db2.gz YPGRNGCAWXDQJP-MZKUHISZSA-N 3 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001246882279 1037697251 /nfs/dbraw/zinc/69/72/51/1037697251.db2.gz YPGRNGCAWXDQJP-MZKUHISZSA-N 3 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001246882279 1037697256 /nfs/dbraw/zinc/69/72/56/1037697256.db2.gz YPGRNGCAWXDQJP-MZKUHISZSA-N 3 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246882279 1037697266 /nfs/dbraw/zinc/69/72/66/1037697266.db2.gz YPGRNGCAWXDQJP-MZKUHISZSA-N 2 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001246882279 1037697275 /nfs/dbraw/zinc/69/72/75/1037697275.db2.gz YPGRNGCAWXDQJP-MZKUHISZSA-N 2 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCN1Cc1ccccc1 ZINC001246882279 1037697293 /nfs/dbraw/zinc/69/72/93/1037697293.db2.gz YPGRNGCAWXDQJP-MZKUHISZSA-N 2 1 389.587 3.903 20 0 GHADMP CC1(C)C[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)CCN1Cc1ccccc1 ZINC001246882279 1037697299 /nfs/dbraw/zinc/69/72/99/1037697299.db2.gz YPGRNGCAWXDQJP-MZKUHISZSA-N 2 1 389.587 3.903 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888128 1037703253 /nfs/dbraw/zinc/70/32/53/1037703253.db2.gz NPVKMMHKZLDOBR-OALUTQOASA-N 2 1 377.960 3.655 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888128 1037703265 /nfs/dbraw/zinc/70/32/65/1037703265.db2.gz NPVKMMHKZLDOBR-OALUTQOASA-N 2 1 377.960 3.655 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888129 1037704513 /nfs/dbraw/zinc/70/45/13/1037704513.db2.gz NPVKMMHKZLDOBR-RBUKOAKNSA-N 2 1 377.960 3.655 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC[NH2+]1 ZINC001246888129 1037704535 /nfs/dbraw/zinc/70/45/35/1037704535.db2.gz NPVKMMHKZLDOBR-RBUKOAKNSA-N 2 1 377.960 3.655 20 0 GHADMP COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246893261 1037709562 /nfs/dbraw/zinc/70/95/62/1037709562.db2.gz VIVXFFONSWMKOM-VJBMBRPKSA-N 2 1 380.532 3.804 20 0 GHADMP O=C1C[C@H]([N@@H+](Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC001246935785 1037740755 /nfs/dbraw/zinc/74/07/55/1037740755.db2.gz WUKUQWFQMDLMKL-UZLDWMDBSA-N 2 1 389.543 3.573 20 0 GHADMP FC(F)(F)[C@H]1C[C@H]([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CCN1 ZINC001246949590 1037752214 /nfs/dbraw/zinc/75/22/14/1037752214.db2.gz AQMDXECQWSXPJN-NVXWUHKLSA-N 2 1 375.866 3.577 20 0 GHADMP FC(F)(F)[C@H]1C[C@H]([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CCN1 ZINC001246949590 1037752236 /nfs/dbraw/zinc/75/22/36/1037752236.db2.gz AQMDXECQWSXPJN-NVXWUHKLSA-N 2 1 375.866 3.577 20 0 GHADMP FC(F)(F)[C@H]1C[C@@H]([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CCN1 ZINC001246949589 1037752462 /nfs/dbraw/zinc/75/24/62/1037752462.db2.gz AQMDXECQWSXPJN-DOTOQJQBSA-N 2 1 375.866 3.577 20 0 GHADMP FC(F)(F)[C@H]1C[C@@H]([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CCN1 ZINC001246949589 1037752479 /nfs/dbraw/zinc/75/24/79/1037752479.db2.gz AQMDXECQWSXPJN-DOTOQJQBSA-N 2 1 375.866 3.577 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](N(Cc3ccccn3)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246951908 1037757070 /nfs/dbraw/zinc/75/70/70/1037757070.db2.gz OCKONSCNEIAKRR-RPWUZVMVSA-N 2 1 378.564 3.690 20 0 GHADMP COc1ccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3c(cccc3OC)C2)cc1F ZINC001246959455 1037776885 /nfs/dbraw/zinc/77/68/85/1037776885.db2.gz IPWKOOQERPQVKG-HXUWFJFHSA-N 2 1 398.522 3.954 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N(Cc2ccncc2)[C@H]2CC[NH2+]C2)C3)cc1 ZINC001246967943 1037789500 /nfs/dbraw/zinc/78/95/00/1037789500.db2.gz VLBZSCOQSPHLHR-FQUZAXHOSA-N 2 1 390.575 3.831 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C3(CCCCC3)C2)C1 ZINC001246966895 1037789622 /nfs/dbraw/zinc/78/96/22/1037789622.db2.gz LIYCLGIWIZAFGT-PMACEKPBSA-N 2 1 382.552 3.953 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2CNCC[N@@H+]2C2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246971761 1037795025 /nfs/dbraw/zinc/79/50/25/1037795025.db2.gz BVEVWWCNQPCEHS-GPJFCIFZSA-N 2 1 381.486 3.964 20 0 GHADMP FC(F)(F)c1ccc([C@@H]2CNCC[N@H+]2C2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC001246971761 1037795051 /nfs/dbraw/zinc/79/50/51/1037795051.db2.gz BVEVWWCNQPCEHS-GPJFCIFZSA-N 2 1 381.486 3.964 20 0 GHADMP FC(F)(F)c1cc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)ncn1 ZINC001246971844 1037797578 /nfs/dbraw/zinc/79/75/78/1037797578.db2.gz YHNRPKDSSCEPGB-JKSUJKDBSA-N 2 1 398.473 3.794 20 0 GHADMP FC(F)(F)c1cc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)ncn1 ZINC001246971844 1037797600 /nfs/dbraw/zinc/79/76/00/1037797600.db2.gz YHNRPKDSSCEPGB-JKSUJKDBSA-N 2 1 398.473 3.794 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246998215 1037820857 /nfs/dbraw/zinc/82/08/57/1037820857.db2.gz XWBUFZGDHHDMBS-ZLNRFVROSA-N 2 1 378.516 3.935 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC001246998215 1037820881 /nfs/dbraw/zinc/82/08/81/1037820881.db2.gz XWBUFZGDHHDMBS-ZLNRFVROSA-N 2 1 378.516 3.935 20 0 GHADMP CSc1cc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cn1 ZINC001232345767 1038124932 /nfs/dbraw/zinc/12/49/32/1038124932.db2.gz PLPBNWDUDGTNDZ-UHFFFAOYSA-N 2 1 387.549 3.572 20 0 GHADMP CSc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cn1 ZINC001232345767 1038124937 /nfs/dbraw/zinc/12/49/37/1038124937.db2.gz PLPBNWDUDGTNDZ-UHFFFAOYSA-N 2 1 387.549 3.572 20 0 GHADMP COc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cn1 ZINC001232354967 1038134113 /nfs/dbraw/zinc/13/41/13/1038134113.db2.gz LNVPZBLEYWQTGZ-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP Cc1cccc(F)c1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001232486129 1038264082 /nfs/dbraw/zinc/26/40/82/1038264082.db2.gz GEZWELVYBIZSCA-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP Cc1ccc2cccc(-c3noc([C@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)n3)c2n1 ZINC001247905210 1038476446 /nfs/dbraw/zinc/47/64/46/1038476446.db2.gz MFUYTMUCTFEUCT-KRWDZBQOSA-N 2 1 377.492 3.525 20 0 GHADMP Fc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(C(F)(F)F)c1 ZINC001247905653 1038478230 /nfs/dbraw/zinc/47/82/30/1038478230.db2.gz JTEDOSFUXMRVIP-LBPRGKRZSA-N 2 1 398.404 3.826 20 0 GHADMP Fc1cc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc(F)c1Cl ZINC001247907563 1038481145 /nfs/dbraw/zinc/48/11/45/1038481145.db2.gz URWLDULJYQKDGB-NSHDSACASA-N 2 1 382.842 3.600 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc(C(C)(C)O)nc1)CC2 ZINC001232825313 1038579207 /nfs/dbraw/zinc/57/92/07/1038579207.db2.gz PYDAVUJEZZLZJH-OAQYLSRUSA-N 2 1 383.536 3.779 20 0 GHADMP Oc1ccc2[nH]cc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)c2c1 ZINC001232865794 1038628839 /nfs/dbraw/zinc/62/88/39/1038628839.db2.gz DQRITCNSVFIHGQ-UHFFFAOYSA-N 2 1 391.515 3.741 20 0 GHADMP O[C@H](COCc1ccccc1)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001252289611 1038926516 /nfs/dbraw/zinc/92/65/16/1038926516.db2.gz ZNCIEXRGNJMZGP-DQEYMECFSA-N 2 1 394.559 3.552 20 0 GHADMP O[C@H](COCc1ccccc1)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252289611 1038926519 /nfs/dbraw/zinc/92/65/19/1038926519.db2.gz ZNCIEXRGNJMZGP-DQEYMECFSA-N 2 1 394.559 3.552 20 0 GHADMP O[C@H](COCc1ccccc1)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252289611 1038926526 /nfs/dbraw/zinc/92/65/26/1038926526.db2.gz ZNCIEXRGNJMZGP-DQEYMECFSA-N 2 1 394.559 3.552 20 0 GHADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccsc1I)CC2 ZINC001233152128 1038928267 /nfs/dbraw/zinc/92/82/67/1038928267.db2.gz DTRZIYMZJDPZAV-UHFFFAOYSA-N 2 1 390.334 3.661 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cnc(C)c(C)c4)CC3)C2)c1 ZINC001233159810 1038933951 /nfs/dbraw/zinc/93/39/51/1038933951.db2.gz LCDVHGPVSVLCMS-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc(C)c(C)c4)CC3)C2)c1 ZINC001233159810 1038933958 /nfs/dbraw/zinc/93/39/58/1038933958.db2.gz LCDVHGPVSVLCMS-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC001252412319 1038989465 /nfs/dbraw/zinc/98/94/65/1038989465.db2.gz XGHIQTJZXNFYIO-RJGXRXQPSA-N 2 1 398.595 3.555 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001252412319 1038989468 /nfs/dbraw/zinc/98/94/68/1038989468.db2.gz XGHIQTJZXNFYIO-RJGXRXQPSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1O ZINC001233231934 1038993460 /nfs/dbraw/zinc/99/34/60/1038993460.db2.gz WIWSNNDRGOJVRV-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1O ZINC001233231934 1038993465 /nfs/dbraw/zinc/99/34/65/1038993465.db2.gz WIWSNNDRGOJVRV-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1O ZINC001233231934 1038993467 /nfs/dbraw/zinc/99/34/67/1038993467.db2.gz WIWSNNDRGOJVRV-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1O ZINC001233231934 1038993472 /nfs/dbraw/zinc/99/34/72/1038993472.db2.gz WIWSNNDRGOJVRV-UPVQGACJSA-N 2 1 384.564 3.661 20 0 GHADMP COc1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc(OCc2ccccc2)c1OC ZINC001233253572 1039017775 /nfs/dbraw/zinc/01/77/75/1039017775.db2.gz HQKOQZBIWWTOLN-DEOSSOPVSA-N 2 1 396.531 3.810 20 0 GHADMP COCOc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001233281279 1039055947 /nfs/dbraw/zinc/05/59/47/1039055947.db2.gz VCQFXKFQERDBPH-UHFFFAOYSA-N 2 1 396.531 3.536 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C)Cc1ccccc1 ZINC001252718757 1039095588 /nfs/dbraw/zinc/09/55/88/1039095588.db2.gz TYJXGNRJYUBSQE-RBBKRZOGSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC001252718757 1039095609 /nfs/dbraw/zinc/09/56/09/1039095609.db2.gz TYJXGNRJYUBSQE-RBBKRZOGSA-N 2 1 388.600 3.660 20 0 GHADMP CCCCC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC001252718757 1039095630 /nfs/dbraw/zinc/09/56/30/1039095630.db2.gz TYJXGNRJYUBSQE-RBBKRZOGSA-N 2 1 388.600 3.660 20 0 GHADMP CSc1cccc(Cl)c1C[N@H+]1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001233351580 1039166827 /nfs/dbraw/zinc/16/68/27/1039166827.db2.gz YDLRGCQFQIZOEN-SJORKVTESA-N 2 1 390.984 3.749 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC001252931456 1039268065 /nfs/dbraw/zinc/26/80/65/1039268065.db2.gz KRHDFTBWHZIBLX-FPOVZHCZSA-N 2 1 380.621 3.793 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H]1CCC1CCCCC1 ZINC001252931456 1039268083 /nfs/dbraw/zinc/26/80/83/1039268083.db2.gz KRHDFTBWHZIBLX-FPOVZHCZSA-N 2 1 380.621 3.793 20 0 GHADMP Clc1cccn2cc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001233421937 1039287307 /nfs/dbraw/zinc/28/73/07/1039287307.db2.gz OTRZVOGMTJXFOX-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP Clc1cccn2cc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)nc12 ZINC001233421937 1039287317 /nfs/dbraw/zinc/28/73/17/1039287317.db2.gz OTRZVOGMTJXFOX-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP O[C@@]1(CNCc2ccccc2N2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944582 1039287724 /nfs/dbraw/zinc/28/77/24/1039287724.db2.gz ZMUHLDMFCMOIBZ-RUZDIDTESA-N 2 1 393.575 3.794 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccccc2N2CCCCCC2)CCN(Cc2ccccc2)C1 ZINC001252944582 1039287736 /nfs/dbraw/zinc/28/77/36/1039287736.db2.gz ZMUHLDMFCMOIBZ-RUZDIDTESA-N 2 1 393.575 3.794 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccccc2N2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252944582 1039287752 /nfs/dbraw/zinc/28/77/52/1039287752.db2.gz ZMUHLDMFCMOIBZ-RUZDIDTESA-N 2 1 393.575 3.794 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccccc2N2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944582 1039287760 /nfs/dbraw/zinc/28/77/60/1039287760.db2.gz ZMUHLDMFCMOIBZ-RUZDIDTESA-N 2 1 393.575 3.794 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC001252946689 1039289108 /nfs/dbraw/zinc/28/91/08/1039289108.db2.gz TUNHYOIDFOEYOW-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001252946689 1039289118 /nfs/dbraw/zinc/28/91/18/1039289118.db2.gz TUNHYOIDFOEYOW-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001252946689 1039289125 /nfs/dbraw/zinc/28/91/25/1039289125.db2.gz TUNHYOIDFOEYOW-SFTDATJTSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC001252946685 1039290119 /nfs/dbraw/zinc/29/01/19/1039290119.db2.gz TUNHYOIDFOEYOW-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001252946685 1039290132 /nfs/dbraw/zinc/29/01/32/1039290132.db2.gz TUNHYOIDFOEYOW-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP CN(C[C@@H]1CCCC[NH+]1Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001252946685 1039290141 /nfs/dbraw/zinc/29/01/41/1039290141.db2.gz TUNHYOIDFOEYOW-RTWAWAEBSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C[C@@](C)(O)c4ccccc4)CC3)C2)cc1 ZINC001253099335 1039423090 /nfs/dbraw/zinc/42/30/90/1039423090.db2.gz HOUSRIZQNBVJIC-XMMPIXPASA-N 2 1 394.559 3.570 20 0 GHADMP C[N@H+](C[C@@H](O)CCOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001253267492 1039513729 /nfs/dbraw/zinc/51/37/29/1039513729.db2.gz PNYNZMKTVXNLHH-DEOSSOPVSA-N 2 1 382.548 3.551 20 0 GHADMP C[N@@H+](C[C@@H](O)CCOCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001253267492 1039513740 /nfs/dbraw/zinc/51/37/40/1039513740.db2.gz PNYNZMKTVXNLHH-DEOSSOPVSA-N 2 1 382.548 3.551 20 0 GHADMP OC1(CNc2cc[nH+]c3ccc(Cl)cc23)CC[NH+](Cc2ccccc2)CC1 ZINC001254030084 1039964423 /nfs/dbraw/zinc/96/44/23/1039964423.db2.gz OCEVXACBTRFWRQ-UHFFFAOYSA-N 2 1 381.907 3.749 20 0 GHADMP FC1(F)CCC([NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001254221144 1040076021 /nfs/dbraw/zinc/07/60/21/1040076021.db2.gz PQWHFRMKCALAAH-UHFFFAOYSA-N 2 1 379.495 3.574 20 0 GHADMP FC(F)(F)c1cccc(Oc2cccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)c2)c1 ZINC001234995333 1040489834 /nfs/dbraw/zinc/48/98/34/1040489834.db2.gz VVUZLBIJVQECIQ-FQEVSTJZSA-N 2 1 391.437 3.635 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235009680 1040498808 /nfs/dbraw/zinc/49/88/08/1040498808.db2.gz XPKZNTKDUDKRMQ-XMMPIXPASA-N 2 1 395.547 3.665 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cc1 ZINC001235009680 1040498827 /nfs/dbraw/zinc/49/88/27/1040498827.db2.gz XPKZNTKDUDKRMQ-XMMPIXPASA-N 2 1 395.547 3.665 20 0 GHADMP CN(c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1)c1ccccc1F ZINC001235021853 1040514766 /nfs/dbraw/zinc/51/47/66/1040514766.db2.gz KKTPBCNARRKZHB-HSZRJFAPSA-N 2 1 383.511 3.796 20 0 GHADMP CN(c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1)c1ccccc1F ZINC001235021853 1040514788 /nfs/dbraw/zinc/51/47/88/1040514788.db2.gz KKTPBCNARRKZHB-HSZRJFAPSA-N 2 1 383.511 3.796 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001254771120 1040530817 /nfs/dbraw/zinc/53/08/17/1040530817.db2.gz YROIPWDQACWWHV-BHIYHBOVSA-N 2 1 377.573 3.900 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254797487 1040559523 /nfs/dbraw/zinc/55/95/23/1040559523.db2.gz WMYJLORBWKXTJB-QHCPKHFHSA-N 2 1 391.600 3.974 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)C2)C1 ZINC001254797487 1040559536 /nfs/dbraw/zinc/55/95/36/1040559536.db2.gz WMYJLORBWKXTJB-QHCPKHFHSA-N 2 1 391.600 3.974 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1CN1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001235075597 1040563685 /nfs/dbraw/zinc/56/36/85/1040563685.db2.gz QMFAOJSWECKDSJ-GOSISDBHSA-N 2 1 378.442 3.830 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc(Br)c1O ZINC001235152188 1040644946 /nfs/dbraw/zinc/64/49/46/1040644946.db2.gz DKSRZZAKICAPID-QGZVFWFLSA-N 2 1 397.357 3.908 20 0 GHADMP Brc1cnc2[nH]cc(C[N@H+]3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001235153456 1040645099 /nfs/dbraw/zinc/64/50/99/1040645099.db2.gz KERQHOJUWVBCSE-QGZVFWFLSA-N 2 1 377.330 3.680 20 0 GHADMP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](C[C@H]4COCCN4)C3)CCC2)cc1 ZINC001235178037 1040668331 /nfs/dbraw/zinc/66/83/31/1040668331.db2.gz UHMLZDYATLZFTI-QHCPKHFHSA-N 2 1 385.596 3.523 20 0 GHADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001462481681 1070291089 /nfs/dbraw/zinc/29/10/89/1070291089.db2.gz OYBRPQWTHOZJFB-MISYRCLQSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001462481685 1070291304 /nfs/dbraw/zinc/29/13/04/1070291304.db2.gz OYBRPQWTHOZJFB-RLLQIKCJSA-N 2 1 379.589 3.876 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1 ZINC001235284280 1040755486 /nfs/dbraw/zinc/75/54/86/1040755486.db2.gz PWMAWTXIGKTYFO-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP [NH3+][C@@H]1CCN([C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255071296 1040765284 /nfs/dbraw/zinc/76/52/84/1040765284.db2.gz CXCLKLDSEHMBOW-ZGFBMJKBSA-N 2 1 375.560 3.784 20 0 GHADMP COc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001255104916 1040785249 /nfs/dbraw/zinc/78/52/49/1040785249.db2.gz LQXRECRTZGYGKR-XMMPIXPASA-N 2 1 393.575 3.566 20 0 GHADMP [NH3+]C1(Cc2ccc(Cl)cc2)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255106430 1040787314 /nfs/dbraw/zinc/78/73/14/1040787314.db2.gz VDAIAHFTPNKTSF-JOCHJYFZSA-N 2 1 383.967 3.950 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc3cc(C)ccc3[nH]1)C2 ZINC001235324731 1040795160 /nfs/dbraw/zinc/79/51/60/1040795160.db2.gz KIHVQFYLWXWDCH-XUZZJYLKSA-N 2 1 395.547 3.621 20 0 GHADMP O=C(C1CCCC1)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255126610 1040819243 /nfs/dbraw/zinc/81/92/43/1040819243.db2.gz OIRVBWYJIXJXRU-JOZNFPNDSA-N 2 1 395.591 3.953 20 0 GHADMP O=C1CCC2(CCC(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)N1 ZINC001255128104 1040819425 /nfs/dbraw/zinc/81/94/25/1040819425.db2.gz LHOSSRKJNIPFSC-OGHIFDPUSA-N 2 1 381.564 3.611 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235348075 1040822351 /nfs/dbraw/zinc/82/23/51/1040822351.db2.gz DGFPAFAEVGUXQM-RDPSFJRHSA-N 2 1 394.515 3.844 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131028 1040824238 /nfs/dbraw/zinc/82/42/38/1040824238.db2.gz LUGRYZRRWCNVEA-CWBXHPNXSA-N 2 1 376.548 3.836 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CN(c4ncnc5ccccc54)C2)C3)cc1 ZINC001255132248 1040827913 /nfs/dbraw/zinc/82/79/13/1040827913.db2.gz SSOMNWXTDFAOAH-MMVMTREESA-N 2 1 399.542 3.604 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CN(c4ncnc5ccccc54)C2)C3)cc1 ZINC001255132248 1040827933 /nfs/dbraw/zinc/82/79/33/1040827933.db2.gz SSOMNWXTDFAOAH-MMVMTREESA-N 2 1 399.542 3.604 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235351454 1040829999 /nfs/dbraw/zinc/82/99/99/1040829999.db2.gz OYIHLVUSWUGPGG-FYYLOGMGSA-N 2 1 376.479 3.795 20 0 GHADMP O=C(C1CCC1)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255133014 1040830404 /nfs/dbraw/zinc/83/04/04/1040830404.db2.gz XWMCBWTVGQZNPI-JOZNFPNDSA-N 2 1 395.591 3.810 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(c2ncccn2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255132987 1040831037 /nfs/dbraw/zinc/83/10/37/1040831037.db2.gz OAFLVTASKFIBFG-VDHDWPQNSA-N 2 1 391.563 3.749 20 0 GHADMP [NH2+]=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnc2ccc(F)cn21 ZINC001255134888 1040834123 /nfs/dbraw/zinc/83/41/23/1040834123.db2.gz FCNKOBGUEIHTFF-LDLYASANSA-N 2 1 377.467 3.584 20 0 GHADMP C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137801 1040842277 /nfs/dbraw/zinc/84/22/77/1040842277.db2.gz XWRHNGXVXYQXLD-LGKHCZOZSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137801 1040842296 /nfs/dbraw/zinc/84/22/96/1040842296.db2.gz XWRHNGXVXYQXLD-LGKHCZOZSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137801 1040842309 /nfs/dbraw/zinc/84/23/09/1040842309.db2.gz XWRHNGXVXYQXLD-LGKHCZOZSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@]1(O)C(F)(F)F ZINC001255137801 1040842320 /nfs/dbraw/zinc/84/23/20/1040842320.db2.gz XWRHNGXVXYQXLD-LGKHCZOZSA-N 2 1 382.470 3.817 20 0 GHADMP CC[C@H]1[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138760 1040843193 /nfs/dbraw/zinc/84/31/93/1040843193.db2.gz GJYJHORVWBYQSU-NBTNLBJRSA-N 2 1 381.564 3.705 20 0 GHADMP CC[C@H]1[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138760 1040843201 /nfs/dbraw/zinc/84/32/01/1040843201.db2.gz GJYJHORVWBYQSU-NBTNLBJRSA-N 2 1 381.564 3.705 20 0 GHADMP CC[C@H]1[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC[C@]12CCC(=O)N2 ZINC001255138760 1040843211 /nfs/dbraw/zinc/84/32/11/1040843211.db2.gz GJYJHORVWBYQSU-NBTNLBJRSA-N 2 1 381.564 3.705 20 0 GHADMP CCN1C(=O)CCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255139530 1040845160 /nfs/dbraw/zinc/84/51/60/1040845160.db2.gz FABUERYPSCFSEK-KOUNCHBCSA-N 2 1 381.564 3.659 20 0 GHADMP O=C1CC[C@H]2[C@H](CC[N@H+]2[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)N1CC1CC1 ZINC001255141343 1040848480 /nfs/dbraw/zinc/84/84/80/1040848480.db2.gz UZKLSRLTNRJSNH-JTKSJCOOSA-N 2 1 393.575 3.657 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)CC1 ZINC001235364090 1040853271 /nfs/dbraw/zinc/85/32/71/1040853271.db2.gz KYLZIRRJZRROEI-QDNNMPSSSA-N 2 1 384.564 3.609 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCC(Oc4ncccn4)CC2)C3)cc1 ZINC001255145901 1040858529 /nfs/dbraw/zinc/85/85/29/1040858529.db2.gz XCGRKFTXDRFICN-AERCQKQUSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH+]2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148899 1040864783 /nfs/dbraw/zinc/86/47/83/1040864783.db2.gz CWBBXFYZKJYNBG-FIDNPTQWSA-N 2 1 376.548 3.789 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148899 1040864795 /nfs/dbraw/zinc/86/47/95/1040864795.db2.gz CWBBXFYZKJYNBG-FIDNPTQWSA-N 2 1 376.548 3.789 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2CCCN(c4cccnc4)CC2)C3)cc1 ZINC001255148899 1040864811 /nfs/dbraw/zinc/86/48/11/1040864811.db2.gz CWBBXFYZKJYNBG-FIDNPTQWSA-N 2 1 376.548 3.789 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)c1 ZINC001255150085 1040866004 /nfs/dbraw/zinc/86/60/04/1040866004.db2.gz LNXYBTKUWBLMLK-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)c1 ZINC001255150085 1040866021 /nfs/dbraw/zinc/86/60/21/1040866021.db2.gz LNXYBTKUWBLMLK-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c1 ZINC001255150085 1040866034 /nfs/dbraw/zinc/86/60/34/1040866034.db2.gz LNXYBTKUWBLMLK-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c1 ZINC001255150085 1040866042 /nfs/dbraw/zinc/86/60/42/1040866042.db2.gz LNXYBTKUWBLMLK-KGSLCBSSSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@@H]2CC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001255150815 1040871698 /nfs/dbraw/zinc/87/16/98/1040871698.db2.gz OWXRBANXMFNPCN-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)nc1 ZINC001255150815 1040871716 /nfs/dbraw/zinc/87/17/16/1040871716.db2.gz OWXRBANXMFNPCN-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(O[C@@H]2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001255150815 1040871732 /nfs/dbraw/zinc/87/17/32/1040871732.db2.gz OWXRBANXMFNPCN-ADYITMSISA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(C)c1 ZINC001235372820 1040879980 /nfs/dbraw/zinc/87/99/80/1040879980.db2.gz VEBYQLBMESSPKF-UPVQGACJSA-N 2 1 377.532 3.707 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235380794 1040900985 /nfs/dbraw/zinc/90/09/85/1040900985.db2.gz PAOKXODKVWFTEB-RPBOFIJWSA-N 3 1 393.575 3.596 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235380794 1040900986 /nfs/dbraw/zinc/90/09/86/1040900986.db2.gz PAOKXODKVWFTEB-RPBOFIJWSA-N 2 1 393.575 3.596 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@H+](Cc2cccc(N4CCCCC4)n2)CC3)cc1 ZINC001235383468 1040902842 /nfs/dbraw/zinc/90/28/42/1040902842.db2.gz PQHOTKLTOXOJLT-WIOPSUGQSA-N 2 1 390.575 3.825 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2cccc(N4CCCCC4)n2)CC3)cc1 ZINC001235383468 1040902843 /nfs/dbraw/zinc/90/28/43/1040902843.db2.gz PQHOTKLTOXOJLT-WIOPSUGQSA-N 2 1 390.575 3.825 20 0 GHADMP COc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235408603 1040919752 /nfs/dbraw/zinc/91/97/52/1040919752.db2.gz UVZMSEMLQREFEL-GOTSBHOMSA-N 2 1 383.511 3.987 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410111 1040920830 /nfs/dbraw/zinc/92/08/30/1040920830.db2.gz XTOCCJQZWYZFRJ-FYYLOGMGSA-N 2 1 378.495 3.833 20 0 GHADMP Cc1nc2ccc(-c3ccccc3)cn2c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235410111 1040920839 /nfs/dbraw/zinc/92/08/39/1040920839.db2.gz XTOCCJQZWYZFRJ-FYYLOGMGSA-N 2 1 378.495 3.833 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(Br)c1O ZINC001235423526 1040925478 /nfs/dbraw/zinc/92/54/78/1040925478.db2.gz GVZXNXPKELDOSZ-HOTGVXAUSA-N 2 1 397.357 3.765 20 0 GHADMP C[N@H+](Cc1c(Br)cccc1OC(F)(F)F)CC1CC[NH2+]CC1 ZINC001235433523 1040934432 /nfs/dbraw/zinc/93/44/32/1040934432.db2.gz YFAAMUVUKILLTA-UHFFFAOYSA-N 2 1 381.236 3.779 20 0 GHADMP Fc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1Cl ZINC001235494375 1040961324 /nfs/dbraw/zinc/96/13/24/1040961324.db2.gz FJWFJXYGKNANMP-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255380387 1040971348 /nfs/dbraw/zinc/97/13/48/1040971348.db2.gz JTJBJXDNHCHMIW-HXUWFJFHSA-N 2 1 375.557 3.936 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001255380548 1040971719 /nfs/dbraw/zinc/97/17/19/1040971719.db2.gz SOELSIXHYJJSSI-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC001255380548 1040971720 /nfs/dbraw/zinc/97/17/20/1040971720.db2.gz SOELSIXHYJJSSI-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP c1c2c(nn1CC1CC1)[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)OCC2 ZINC001255383480 1040973843 /nfs/dbraw/zinc/97/38/43/1040973843.db2.gz JZBZWNXYFVGKJL-XZOQPEGZSA-N 2 1 394.563 3.551 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(CCC[NH2+]C1CCCCC1)CC2 ZINC001235520030 1040973928 /nfs/dbraw/zinc/97/39/28/1040973928.db2.gz YRAUBVLNDBJIKP-NRFANRHFSA-N 2 1 389.584 3.647 20 0 GHADMP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001235520030 1040973930 /nfs/dbraw/zinc/97/39/30/1040973930.db2.gz YRAUBVLNDBJIKP-NRFANRHFSA-N 3 1 389.584 3.647 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001235520030 1040973931 /nfs/dbraw/zinc/97/39/31/1040973931.db2.gz YRAUBVLNDBJIKP-NRFANRHFSA-N 3 1 389.584 3.647 20 0 GHADMP O=C(c1ccsc1)N1CCC[C@]2(CC[N@@H+](CCC[NH2+]C3CCCCC3)C2)C1 ZINC001235527597 1040976064 /nfs/dbraw/zinc/97/60/64/1040976064.db2.gz YLKLXBMOALPVHU-JOCHJYFZSA-N 2 1 389.609 3.989 20 0 GHADMP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccc2N2CC[NH2+]CC2)C3)cc1 ZINC001235531134 1040977350 /nfs/dbraw/zinc/97/73/50/1040977350.db2.gz GLFIBUXQQRIADR-ZCYQVOJMSA-N 2 1 391.559 3.635 20 0 GHADMP O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255389369 1040977443 /nfs/dbraw/zinc/97/74/43/1040977443.db2.gz LWXYSBRNASIGBE-TZIWHRDSSA-N 2 1 383.923 3.848 20 0 GHADMP O=C1Nc2cc(Cl)ccc2C[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255389369 1040977444 /nfs/dbraw/zinc/97/74/44/1040977444.db2.gz LWXYSBRNASIGBE-TZIWHRDSSA-N 2 1 383.923 3.848 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CO2 ZINC001255392913 1040981662 /nfs/dbraw/zinc/98/16/62/1040981662.db2.gz MWMDGTBTTOFBAM-RBBKRZOGSA-N 2 1 380.532 3.891 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399371 1040984748 /nfs/dbraw/zinc/98/47/48/1040984748.db2.gz QVBXPOHIXNTAEJ-GBESFXJTSA-N 2 1 388.449 3.768 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399371 1040984754 /nfs/dbraw/zinc/98/47/54/1040984754.db2.gz QVBXPOHIXNTAEJ-GBESFXJTSA-N 2 1 388.449 3.768 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001255399371 1040984765 /nfs/dbraw/zinc/98/47/65/1040984765.db2.gz QVBXPOHIXNTAEJ-GBESFXJTSA-N 2 1 388.449 3.768 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001235557200 1040985757 /nfs/dbraw/zinc/98/57/57/1040985757.db2.gz GEIGSGXQGWZQBZ-MEBIHWHUSA-N 2 1 397.579 3.771 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235557200 1040985759 /nfs/dbraw/zinc/98/57/59/1040985759.db2.gz GEIGSGXQGWZQBZ-MEBIHWHUSA-N 2 1 397.579 3.771 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@H]2C1 ZINC001235557200 1040985763 /nfs/dbraw/zinc/98/57/63/1040985763.db2.gz GEIGSGXQGWZQBZ-MEBIHWHUSA-N 2 1 397.579 3.771 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255402582 1040988997 /nfs/dbraw/zinc/98/89/97/1040988997.db2.gz JUBCQUJUTQFFGR-ISKFKSNPSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402582 1040989004 /nfs/dbraw/zinc/98/90/04/1040989004.db2.gz JUBCQUJUTQFFGR-ISKFKSNPSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402582 1040989006 /nfs/dbraw/zinc/98/90/06/1040989006.db2.gz JUBCQUJUTQFFGR-ISKFKSNPSA-N 2 1 383.580 3.764 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@H]2CCC[NH+](Cc3ccccc3)CC2)CC1 ZINC001255403239 1040989753 /nfs/dbraw/zinc/98/97/53/1040989753.db2.gz BXFTXJHVABAFMR-LADGPHEKSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403239 1040989758 /nfs/dbraw/zinc/98/97/58/1040989758.db2.gz BXFTXJHVABAFMR-LADGPHEKSA-N 2 1 385.596 3.616 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403239 1040989760 /nfs/dbraw/zinc/98/97/60/1040989760.db2.gz BXFTXJHVABAFMR-LADGPHEKSA-N 2 1 385.596 3.616 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255408815 1040995562 /nfs/dbraw/zinc/99/55/62/1040995562.db2.gz BZTLDXNXWGROPD-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255408815 1040995565 /nfs/dbraw/zinc/99/55/65/1040995565.db2.gz BZTLDXNXWGROPD-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255408815 1040995566 /nfs/dbraw/zinc/99/55/66/1040995566.db2.gz BZTLDXNXWGROPD-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3cc(C(F)(F)F)nn3[C@@H]3CCCCO3)C2)CC1 ZINC001235584136 1040997848 /nfs/dbraw/zinc/99/78/48/1040997848.db2.gz ZDBNXYXODJLKSS-KRWDZBQOSA-N 2 1 386.462 3.519 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(C(F)(F)F)nn3[C@@H]3CCCCO3)C2)CC1 ZINC001235584136 1040997852 /nfs/dbraw/zinc/99/78/52/1040997852.db2.gz ZDBNXYXODJLKSS-KRWDZBQOSA-N 2 1 386.462 3.519 20 0 GHADMP Fc1cnccc1N(C1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409854 1040998464 /nfs/dbraw/zinc/99/84/64/1040998464.db2.gz LVQVGUJCYQODBY-FQEVSTJZSA-N 2 1 382.527 3.834 20 0 GHADMP c1cc(-c2ccc3c(c2)C2(CC3)CC[NH+](Cc3cnc4n3CC[NH2+]C4)CC2)co1 ZINC001235591667 1041004675 /nfs/dbraw/zinc/00/46/75/1041004675.db2.gz BADRYGWVZXCNOG-UHFFFAOYSA-N 2 1 388.515 3.726 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](CCC[NH2+]C3CCCCC3)C[C@H]12 ZINC001235608931 1041024827 /nfs/dbraw/zinc/02/48/27/1041024827.db2.gz JLHMMBJRGYUJLO-ZEQRLZLVSA-N 2 1 383.580 3.563 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](CCC[NH2+]C3CCCCC3)C[C@H]12 ZINC001235608931 1041024842 /nfs/dbraw/zinc/02/48/42/1041024842.db2.gz JLHMMBJRGYUJLO-ZEQRLZLVSA-N 2 1 383.580 3.563 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn([C@H]3CCC[N@@H+](C)C3)c3nccc2-3)cc1 ZINC001255473790 1041076362 /nfs/dbraw/zinc/07/63/62/1041076362.db2.gz YTMYUBVSYRBALH-QAPCUYQASA-N 2 1 377.492 3.527 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235645363 1041084538 /nfs/dbraw/zinc/08/45/38/1041084538.db2.gz UTHNWSFQYBMDCB-NASSWSRMSA-N 2 1 378.507 3.589 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001235645363 1041084554 /nfs/dbraw/zinc/08/45/54/1041084554.db2.gz UTHNWSFQYBMDCB-NASSWSRMSA-N 2 1 378.507 3.589 20 0 GHADMP c1nc(C[NH2+]C2CCCC2)c2n1CCC[N@H+](Cc1ccc3c(c1)NCCC3)C2 ZINC001235649891 1041093196 /nfs/dbraw/zinc/09/31/96/1041093196.db2.gz VXGKARQOKLZALC-UHFFFAOYSA-N 2 1 379.552 3.679 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255606799 1041161136 /nfs/dbraw/zinc/16/11/36/1041161136.db2.gz FWUMGRADYLTYQT-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255606799 1041161158 /nfs/dbraw/zinc/16/11/58/1041161158.db2.gz FWUMGRADYLTYQT-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255606799 1041161182 /nfs/dbraw/zinc/16/11/82/1041161182.db2.gz FWUMGRADYLTYQT-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255606799 1041161206 /nfs/dbraw/zinc/16/12/06/1041161206.db2.gz FWUMGRADYLTYQT-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP [NH3+]C1(c2ccccc2C(F)(F)F)CC[NH+](C2CCC3(CC2)OCCO3)CC1 ZINC001255619470 1041173796 /nfs/dbraw/zinc/17/37/96/1041173796.db2.gz PSDKGFXDWAICLH-UHFFFAOYSA-N 2 1 384.442 3.641 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](C4C[C@H]5CCC[C@@H](C4)[NH+]5C)C[C@H]3O2)n1 ZINC001255677271 1041209480 /nfs/dbraw/zinc/20/94/80/1041209480.db2.gz SJNPPFDINJCMEP-IODWBBHZSA-N 2 1 384.568 3.767 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[NH+](C4C[C@H]5CCC[C@@H](C4)[N@H+]5C)C[C@H]3O2)n1 ZINC001255677271 1041209496 /nfs/dbraw/zinc/20/94/96/1041209496.db2.gz SJNPPFDINJCMEP-IODWBBHZSA-N 2 1 384.568 3.767 20 0 GHADMP CC(C)c1nccc([C@@H]2C[C@@H]3CC[NH+](C4C[C@H]5CCC[C@@H](C4)[N@@H+]5C)C[C@H]3O2)n1 ZINC001255677271 1041209509 /nfs/dbraw/zinc/20/95/09/1041209509.db2.gz SJNPPFDINJCMEP-IODWBBHZSA-N 2 1 384.568 3.767 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680555 1041212380 /nfs/dbraw/zinc/21/23/80/1041212380.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001255680555 1041212397 /nfs/dbraw/zinc/21/23/97/1041212397.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001255680555 1041212414 /nfs/dbraw/zinc/21/24/14/1041212414.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 2 1 382.596 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680555 1041212432 /nfs/dbraw/zinc/21/24/32/1041212432.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 3 1 382.596 3.629 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680555 1041212451 /nfs/dbraw/zinc/21/24/51/1041212451.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680555 1041212467 /nfs/dbraw/zinc/21/24/67/1041212467.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680555 1041212482 /nfs/dbraw/zinc/21/24/82/1041212482.db2.gz ZNDUINNQBYODKM-DRZOYWMVSA-N 3 1 382.596 3.629 20 0 GHADMP Cn1cc(C[N@@H+]2CCCC23CC[NH+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717029 1041245139 /nfs/dbraw/zinc/24/51/39/1041245139.db2.gz PZWQWXLNAUHZMD-QZTJIDSGSA-N 2 1 384.490 3.972 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CC[NH+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC3)cn1 ZINC001255717029 1041245155 /nfs/dbraw/zinc/24/51/55/1041245155.db2.gz PZWQWXLNAUHZMD-QZTJIDSGSA-N 2 1 384.490 3.972 20 0 GHADMP COc1cncc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC001462532281 1070334910 /nfs/dbraw/zinc/33/49/10/1070334910.db2.gz ZDKQFPBKIMVAKU-HDICACEKSA-N 2 1 383.536 3.640 20 0 GHADMP COc1cncc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC001462532281 1070334923 /nfs/dbraw/zinc/33/49/23/1070334923.db2.gz ZDKQFPBKIMVAKU-HDICACEKSA-N 2 1 383.536 3.640 20 0 GHADMP COc1cncc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC001462532281 1070334939 /nfs/dbraw/zinc/33/49/39/1070334939.db2.gz ZDKQFPBKIMVAKU-HDICACEKSA-N 2 1 383.536 3.640 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001255961783 1041442218 /nfs/dbraw/zinc/44/22/18/1041442218.db2.gz DCLKDORKVNULAD-NTKDMRAZSA-N 2 1 394.563 3.738 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001255961783 1041442227 /nfs/dbraw/zinc/44/22/27/1041442227.db2.gz DCLKDORKVNULAD-NTKDMRAZSA-N 2 1 394.563 3.738 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[N@@H+](CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255964055 1041445099 /nfs/dbraw/zinc/44/50/99/1041445099.db2.gz NNSFHKGWPJWIII-LJQANCHMSA-N 2 1 399.620 3.845 20 0 GHADMP Cc1c(Br)cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1Br ZINC001235956955 1041465183 /nfs/dbraw/zinc/46/51/83/1041465183.db2.gz IVANKCRSNOIQDN-LBPRGKRZSA-N 2 1 390.163 3.951 20 0 GHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(-c3ccc(OC(F)(F)F)cc3)n1)C2 ZINC001235959586 1041466053 /nfs/dbraw/zinc/46/60/53/1041466053.db2.gz KLLNKECBLSEHGQ-CCWDJLKJSA-N 2 1 377.410 3.816 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235973138 1041477623 /nfs/dbraw/zinc/47/76/23/1041477623.db2.gz LJBNGZFRWDEKJJ-OALUTQOASA-N 2 1 376.614 3.757 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001235973138 1041477628 /nfs/dbraw/zinc/47/76/28/1041477628.db2.gz LJBNGZFRWDEKJJ-OALUTQOASA-N 3 1 376.614 3.757 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001235973138 1041477633 /nfs/dbraw/zinc/47/76/33/1041477633.db2.gz LJBNGZFRWDEKJJ-OALUTQOASA-N 3 1 376.614 3.757 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001235973138 1041477639 /nfs/dbraw/zinc/47/76/39/1041477639.db2.gz LJBNGZFRWDEKJJ-OALUTQOASA-N 3 1 376.614 3.757 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001235973138 1041477646 /nfs/dbraw/zinc/47/76/46/1041477646.db2.gz LJBNGZFRWDEKJJ-OALUTQOASA-N 3 1 376.614 3.757 20 0 GHADMP FC(F)(F)Oc1cc(Br)cc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c1 ZINC001236009062 1041500701 /nfs/dbraw/zinc/50/07/01/1041500701.db2.gz KTQIHFIJUYZGLC-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236009810 1041501215 /nfs/dbraw/zinc/50/12/15/1041501215.db2.gz PIVJEECHPWFBDF-QPPBQGQZSA-N 2 1 378.516 3.615 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236009810 1041501221 /nfs/dbraw/zinc/50/12/21/1041501221.db2.gz PIVJEECHPWFBDF-QPPBQGQZSA-N 2 1 378.516 3.615 20 0 GHADMP Fc1cccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)s2)c1 ZINC001236010911 1041503311 /nfs/dbraw/zinc/50/33/11/1041503311.db2.gz VSPUUTMUECALHU-GCJKJVERSA-N 2 1 379.504 3.922 20 0 GHADMP Fc1cccc(-c2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)s2)c1 ZINC001236010911 1041503323 /nfs/dbraw/zinc/50/33/23/1041503323.db2.gz VSPUUTMUECALHU-GCJKJVERSA-N 2 1 379.504 3.922 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CC(C[NH2+]C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC001256066623 1041504477 /nfs/dbraw/zinc/50/44/77/1041504477.db2.gz KJRAVOZGFGIGOB-UHFFFAOYSA-N 2 1 377.573 3.630 20 0 GHADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](Cc3ccc(C4CCCCC4)cc3)C[C@H]1C2 ZINC001236035685 1041511374 /nfs/dbraw/zinc/51/13/74/1041511374.db2.gz IEICOBHVMNKLQI-GBAAUQCPSA-N 2 1 382.548 3.565 20 0 GHADMP CCn1c2ccccc2c2cc(C[NH+]3CCC([C@H]([NH3+])C(=O)OC)CC3)ccc21 ZINC001236064830 1041517141 /nfs/dbraw/zinc/51/71/41/1041517141.db2.gz AVWLKRLNHJTRAA-QFIPXVFZSA-N 2 1 379.504 3.527 20 0 GHADMP CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001236060452 1041517459 /nfs/dbraw/zinc/51/74/59/1041517459.db2.gz RHRRYKNOFXZFDL-QFIPXVFZSA-N 2 1 375.520 3.706 20 0 GHADMP c1cc2c(cc1C[N@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)CC[NH2+]C2 ZINC001236093663 1041529895 /nfs/dbraw/zinc/52/98/95/1041529895.db2.gz WJNRQZODAILCCC-ZYQDXHPFSA-N 3 1 377.576 3.727 20 0 GHADMP c1cc2c(cc1C[NH+]1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)CC[NH2+]C2 ZINC001236093663 1041529912 /nfs/dbraw/zinc/52/99/12/1041529912.db2.gz WJNRQZODAILCCC-ZYQDXHPFSA-N 3 1 377.576 3.727 20 0 GHADMP c1cc2c(cc1C[NH+]1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)CC[NH2+]C2 ZINC001236093663 1041529917 /nfs/dbraw/zinc/52/99/17/1041529917.db2.gz WJNRQZODAILCCC-ZYQDXHPFSA-N 3 1 377.576 3.727 20 0 GHADMP c1cc2c(cc1C[N@@H+]1CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]31)CC[NH2+]C2 ZINC001236093663 1041529932 /nfs/dbraw/zinc/52/99/32/1041529932.db2.gz WJNRQZODAILCCC-ZYQDXHPFSA-N 2 1 377.576 3.727 20 0 GHADMP c1cc2c(cc1C[N@H+]1CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]31)CC[NH2+]C2 ZINC001236093663 1041529954 /nfs/dbraw/zinc/52/99/54/1041529954.db2.gz WJNRQZODAILCCC-ZYQDXHPFSA-N 2 1 377.576 3.727 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CN2CCC1CC2 ZINC001236158333 1041580348 /nfs/dbraw/zinc/58/03/48/1041580348.db2.gz OBVUOJJPQLXJIA-KBMIEXCESA-N 2 1 375.560 3.990 20 0 GHADMP C[C@H](c1ccccc1)N(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1C[NH+]2CCC1CC2 ZINC001236158333 1041580366 /nfs/dbraw/zinc/58/03/66/1041580366.db2.gz OBVUOJJPQLXJIA-KBMIEXCESA-N 2 1 375.560 3.990 20 0 GHADMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2cc(Br)c[nH]c2=O)CC1 ZINC001236228940 1041633981 /nfs/dbraw/zinc/63/39/81/1041633981.db2.gz UJXRWSIEIMYKKZ-UHFFFAOYSA-N 2 1 390.325 3.822 20 0 GHADMP C[C@@H](CCc1ccc(Br)cc1)[N@@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256214158 1041652565 /nfs/dbraw/zinc/65/25/65/1041652565.db2.gz HNEIGXIMBRPKGZ-WBAXXEDZSA-N 2 1 381.358 3.741 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@H+](Cc3ccccc3)C3CC[NH2+]CC3)c21 ZINC001236299669 1041664461 /nfs/dbraw/zinc/66/44/61/1041664461.db2.gz IJFOAHNVZGUUKX-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP COC(=O)c1cccc2[nH]cc(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)c21 ZINC001236299669 1041664465 /nfs/dbraw/zinc/66/44/65/1041664465.db2.gz IJFOAHNVZGUUKX-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP N[C@H](Cc1ccccc1)C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303954 1041666729 /nfs/dbraw/zinc/66/67/29/1041666729.db2.gz FQIHYUZVHVKFJL-XMMPIXPASA-N 2 1 377.576 3.935 20 0 GHADMP N[C@H](Cc1ccccc1)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236303954 1041666754 /nfs/dbraw/zinc/66/67/54/1041666754.db2.gz FQIHYUZVHVKFJL-XMMPIXPASA-N 2 1 377.576 3.935 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001256288918 1041685384 /nfs/dbraw/zinc/68/53/84/1041685384.db2.gz BLUOVSCNSDJYDL-IRXDYDNUSA-N 2 1 391.581 3.511 20 0 GHADMP COc1ccc(Br)nc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375355 1041687047 /nfs/dbraw/zinc/68/70/47/1041687047.db2.gz JMBBDGYDZUKTDE-AWEZNQCLSA-N 2 1 382.346 3.597 20 0 GHADMP COc1ccc(Br)nc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375355 1041687049 /nfs/dbraw/zinc/68/70/49/1041687049.db2.gz JMBBDGYDZUKTDE-AWEZNQCLSA-N 2 1 382.346 3.597 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cc(Br)ccn2)CC2CC[NH2+]CC2)cc1 ZINC001236384199 1041692519 /nfs/dbraw/zinc/69/25/19/1041692519.db2.gz ZSMXWMGTEOLSEZ-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP CC[N@H+](Cc1cc(Br)cc(OC(F)(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC001236409779 1041704958 /nfs/dbraw/zinc/70/49/58/1041704958.db2.gz WGDFWFGHLKHXIV-LLVKDONJSA-N 2 1 381.236 3.779 20 0 GHADMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001236424161 1041707768 /nfs/dbraw/zinc/70/77/68/1041707768.db2.gz RYWSAMROMJKOEO-QHCPKHFHSA-N 2 1 379.548 3.575 20 0 GHADMP C[C@H](Cc1ccccn1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001256413801 1041723929 /nfs/dbraw/zinc/72/39/29/1041723929.db2.gz BSQJJQWMFMQAOF-NFBKMPQASA-N 2 1 379.548 3.768 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3occc3c2)C2CC[NH2+]CC2)c1 ZINC001236464794 1041726063 /nfs/dbraw/zinc/72/60/63/1041726063.db2.gz LEAQSZIPBRCZPG-UHFFFAOYSA-N 2 1 378.472 3.974 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3occc3c2)C2CC[NH2+]CC2)c1 ZINC001236464794 1041726071 /nfs/dbraw/zinc/72/60/71/1041726071.db2.gz LEAQSZIPBRCZPG-UHFFFAOYSA-N 2 1 378.472 3.974 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)cc1OC ZINC001236480696 1041734376 /nfs/dbraw/zinc/73/43/76/1041734376.db2.gz HXWCHJMPNSODIJ-UHFFFAOYSA-N 2 1 386.511 3.948 20 0 GHADMP Cc1cc(F)cc(C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2CC[NH2+]CC2)c1 ZINC001236484885 1041735408 /nfs/dbraw/zinc/73/54/08/1041735408.db2.gz VVAUTHOFSUNEAU-UHFFFAOYSA-N 3 1 399.554 3.829 20 0 GHADMP Cc1cc(F)cc(C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2CC[NH2+]CC2)c1 ZINC001236484885 1041735413 /nfs/dbraw/zinc/73/54/13/1041735413.db2.gz VVAUTHOFSUNEAU-UHFFFAOYSA-N 3 1 399.554 3.829 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN(Cc2ccccn2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236488359 1041736557 /nfs/dbraw/zinc/73/65/57/1041736557.db2.gz VMCJZEQHWGOOJD-ZEQRLZLVSA-N 2 1 378.564 3.690 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256463455 1041744255 /nfs/dbraw/zinc/74/42/55/1041744255.db2.gz PMNSHLRMOOUPFB-QFBILLFUSA-N 2 1 391.531 3.864 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](Cc1cc(=O)n(C)c2ccccc12)C1CC[NH2+]CC1 ZINC001236506027 1041745046 /nfs/dbraw/zinc/74/50/46/1041745046.db2.gz KJBRGGOGRGEDSG-UHFFFAOYSA-N 2 1 393.506 3.740 20 0 GHADMP Cc1ccc(F)cc1C[N@H+](Cc1cc(=O)n(C)c2ccccc12)C1CC[NH2+]CC1 ZINC001236506027 1041745054 /nfs/dbraw/zinc/74/50/54/1041745054.db2.gz KJBRGGOGRGEDSG-UHFFFAOYSA-N 2 1 393.506 3.740 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](CC1CCC2(CC1)OCCO2)C1CC[NH2+]CC1 ZINC001236515990 1041749960 /nfs/dbraw/zinc/74/99/60/1041749960.db2.gz FFKUYFMPJSBDAE-UHFFFAOYSA-N 2 1 376.516 3.621 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1 ZINC001236521646 1041752480 /nfs/dbraw/zinc/75/24/80/1041752480.db2.gz MXTQFXUUJAKBNR-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1ccc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1 ZINC001236521646 1041752485 /nfs/dbraw/zinc/75/24/85/1041752485.db2.gz MXTQFXUUJAKBNR-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COc1ccc(Br)nc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236542121 1041756572 /nfs/dbraw/zinc/75/65/72/1041756572.db2.gz XOQFBMXVQMNNNW-SHTZXODSSA-N 2 1 382.346 3.725 20 0 GHADMP CN(C)c1ccc(Br)cc1C[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236551163 1041758272 /nfs/dbraw/zinc/75/82/72/1041758272.db2.gz MKEMHAPAPXYRDY-IYARVYRRSA-N 2 1 380.374 3.997 20 0 GHADMP Cc1ccccc1C[N@@H+](Cc1cnc2ccc(Cl)nn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557382 1041761166 /nfs/dbraw/zinc/76/11/66/1041761166.db2.gz MANFKCAKXKXYRC-IYARVYRRSA-N 2 1 383.927 3.963 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(cc2Br)OCO3)C2CCC2)CC1 ZINC001236572515 1041766488 /nfs/dbraw/zinc/76/64/88/1041766488.db2.gz QXJZRFLCJOHEFY-CTYIDZIISA-N 2 1 381.314 3.802 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236690649 1041834129 /nfs/dbraw/zinc/83/41/29/1041834129.db2.gz RXVCBQZCTPGOJS-RQNOJGIXSA-N 3 1 392.591 3.711 20 0 GHADMP CN1CCN(c2ccccc2C[N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236690649 1041834132 /nfs/dbraw/zinc/83/41/32/1041834132.db2.gz RXVCBQZCTPGOJS-RQNOJGIXSA-N 2 1 392.591 3.711 20 0 GHADMP CN1CCN(c2ccccc2C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236690649 1041834135 /nfs/dbraw/zinc/83/41/35/1041834135.db2.gz RXVCBQZCTPGOJS-RQNOJGIXSA-N 2 1 392.591 3.711 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001236847296 1041927231 /nfs/dbraw/zinc/92/72/31/1041927231.db2.gz IWFTYSBUSOTPML-OAQYLSRUSA-N 2 1 375.560 3.783 20 0 GHADMP c1ccc(C(c2ccccc2)N2CC3(C2)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001236847296 1041927232 /nfs/dbraw/zinc/92/72/32/1041927232.db2.gz IWFTYSBUSOTPML-OAQYLSRUSA-N 2 1 375.560 3.783 20 0 GHADMP c1ncn(-c2cccc(CN3CCC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2)n1 ZINC001236891225 1041942094 /nfs/dbraw/zinc/94/20/94/1041942094.db2.gz YPWRQKFHSCWHDM-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2cccc(C[NH+]3CCC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)c2)n1 ZINC001236891225 1041942098 /nfs/dbraw/zinc/94/20/98/1041942098.db2.gz YPWRQKFHSCWHDM-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2cccc(C[N@@H+]3CCC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)c2)n1 ZINC001236891225 1041942104 /nfs/dbraw/zinc/94/21/04/1041942104.db2.gz YPWRQKFHSCWHDM-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP COc1cccc([C@@H]2CC[N@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236968981 1041972853 /nfs/dbraw/zinc/97/28/53/1041972853.db2.gz VPELWPWYNKGPDX-HXUWFJFHSA-N 2 1 383.511 3.576 20 0 GHADMP COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(F)c(N4CC[NH+](C)CC4)c3)C2)c1 ZINC001236968981 1041972855 /nfs/dbraw/zinc/97/28/55/1041972855.db2.gz VPELWPWYNKGPDX-HXUWFJFHSA-N 2 1 383.511 3.576 20 0 GHADMP CC(C)(C)Oc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001237023970 1041994325 /nfs/dbraw/zinc/99/43/25/1041994325.db2.gz KSYYSGOBLGRDLD-UHFFFAOYSA-N 2 1 382.552 3.715 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2N2CC[NH+](C)CC2)C2(CC2)C1 ZINC001237100357 1042035510 /nfs/dbraw/zinc/03/55/10/1042035510.db2.gz ZBKPULOVADNBOQ-OAHLLOKOSA-N 2 1 378.358 3.575 20 0 GHADMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c2cccccc1-2 ZINC001237191352 1042086022 /nfs/dbraw/zinc/08/60/22/1042086022.db2.gz UGCBZVIFYUWGRR-ILBGXUMGSA-N 2 1 387.527 3.909 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c2cccccc1-2 ZINC001237191352 1042086030 /nfs/dbraw/zinc/08/60/30/1042086030.db2.gz UGCBZVIFYUWGRR-ILBGXUMGSA-N 2 1 387.527 3.909 20 0 GHADMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c2cccccc1-2 ZINC001237191352 1042086032 /nfs/dbraw/zinc/08/60/32/1042086032.db2.gz UGCBZVIFYUWGRR-ILBGXUMGSA-N 2 1 387.527 3.909 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](C[C@@H]4Cc5ccccc5CN4)CC[C@H]3C2)cc1 ZINC001237266599 1042114001 /nfs/dbraw/zinc/11/40/01/1042114001.db2.gz XUKKRFRGHWMUHK-SDHOMARFSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](C[C@@H]4Cc5ccccc5CN4)CC[C@H]3C2)cc1 ZINC001237266599 1042114004 /nfs/dbraw/zinc/11/40/04/1042114004.db2.gz XUKKRFRGHWMUHK-SDHOMARFSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](C[C@@H]4Cc5ccccc5CN4)CC[C@H]3C2)cc1 ZINC001237266599 1042114007 /nfs/dbraw/zinc/11/40/07/1042114007.db2.gz XUKKRFRGHWMUHK-SDHOMARFSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC[C@H]3C2)cc1 ZINC001237266599 1042114010 /nfs/dbraw/zinc/11/40/10/1042114010.db2.gz XUKKRFRGHWMUHK-SDHOMARFSA-N 2 1 375.560 3.545 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3CN(C[C@@H]4Cc5ccccc5C[NH2+]4)CC[C@H]3C2)cc1 ZINC001237266599 1042114012 /nfs/dbraw/zinc/11/40/12/1042114012.db2.gz XUKKRFRGHWMUHK-SDHOMARFSA-N 2 1 375.560 3.545 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001237410898 1042196098 /nfs/dbraw/zinc/19/60/98/1042196098.db2.gz QDZFLUDADKFSIC-APTRMMRNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001237410898 1042196102 /nfs/dbraw/zinc/19/61/02/1042196102.db2.gz QDZFLUDADKFSIC-APTRMMRNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001237410898 1042196107 /nfs/dbraw/zinc/19/61/07/1042196107.db2.gz QDZFLUDADKFSIC-APTRMMRNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001237410898 1042196110 /nfs/dbraw/zinc/19/61/10/1042196110.db2.gz QDZFLUDADKFSIC-APTRMMRNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(C)c1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001237459791 1042217129 /nfs/dbraw/zinc/21/71/29/1042217129.db2.gz VPHUNNOQPGJFPA-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001237459791 1042217130 /nfs/dbraw/zinc/21/71/30/1042217130.db2.gz VPHUNNOQPGJFPA-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001237459791 1042217133 /nfs/dbraw/zinc/21/71/33/1042217133.db2.gz VPHUNNOQPGJFPA-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc(OC)n1 ZINC001237555209 1042262104 /nfs/dbraw/zinc/26/21/04/1042262104.db2.gz KOFIPADFGUCUSM-IBGZPJMESA-N 2 1 385.508 3.568 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc3nccc(C)c13)C2 ZINC001237624304 1042290885 /nfs/dbraw/zinc/29/08/85/1042290885.db2.gz FVEBCHREBUYZSJ-QPPBQGQZSA-N 2 1 379.548 3.724 20 0 GHADMP Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)C(C(C)C)=[NH+]CC5)C[C@H]3O2)n1 ZINC001237878229 1042406336 /nfs/dbraw/zinc/40/63/36/1042406336.db2.gz OMOCLDGABPXOQH-CEWLAPEOSA-N 2 1 394.519 3.731 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)cc21 ZINC001237884826 1042409586 /nfs/dbraw/zinc/40/95/86/1042409586.db2.gz FMQUPGGCPNVHKG-UHFFFAOYSA-N 2 1 379.504 3.629 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCN(C(=O)c4ccco4)CC3)cc21 ZINC001237884826 1042409589 /nfs/dbraw/zinc/40/95/89/1042409589.db2.gz FMQUPGGCPNVHKG-UHFFFAOYSA-N 2 1 379.504 3.629 20 0 GHADMP CCCOc1cc(F)ccc1CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001237904479 1042417639 /nfs/dbraw/zinc/41/76/39/1042417639.db2.gz BLKBKGMLPCBSPP-NFBKMPQASA-N 2 1 390.543 3.795 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1csc(-c2cccc(Cl)c2)n1 ZINC001237975834 1042442038 /nfs/dbraw/zinc/44/20/38/1042442038.db2.gz FBPAPZOMTNXJAB-RBUKOAKNSA-N 2 1 390.984 3.674 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1csc(-c2cccc(Cl)c2)n1 ZINC001237975834 1042442040 /nfs/dbraw/zinc/44/20/40/1042442040.db2.gz FBPAPZOMTNXJAB-RBUKOAKNSA-N 2 1 390.984 3.674 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3ccccc3Oc3cnccn3)C2)C1 ZINC001238012624 1042459122 /nfs/dbraw/zinc/45/91/22/1042459122.db2.gz UZWLKVVRQUYGIM-QHCPKHFHSA-N 2 1 396.535 3.592 20 0 GHADMP Cc1cc(I)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1C ZINC001238137140 1042501009 /nfs/dbraw/zinc/50/10/09/1042501009.db2.gz VPELSURXLDQUSA-UHFFFAOYSA-N 2 1 386.321 3.682 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2c(N)ccnc2F)CC3)cc1 ZINC001238153780 1042506427 /nfs/dbraw/zinc/50/64/27/1042506427.db2.gz FBGXAGRKMRZIOV-UHFFFAOYSA-N 2 1 382.527 3.990 20 0 GHADMP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001462633276 1070429916 /nfs/dbraw/zinc/42/99/16/1070429916.db2.gz GUNAJIYXHMBWBS-WWPVKYPJSA-N 2 1 380.532 3.804 20 0 GHADMP COC(=O)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001462633276 1070429918 /nfs/dbraw/zinc/42/99/18/1070429918.db2.gz GUNAJIYXHMBWBS-WWPVKYPJSA-N 2 1 380.532 3.804 20 0 GHADMP CC1(C)OCC(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)CO1 ZINC001278263975 1042678065 /nfs/dbraw/zinc/67/80/65/1042678065.db2.gz BMVBLEMNXRKGMN-UHFFFAOYSA-N 2 1 378.479 3.516 20 0 GHADMP COc1ccc(-c2cccc(CN3CC[NH+](C)CC3)c2)cc1C[NH+]1CCCC1 ZINC001240306014 1042920328 /nfs/dbraw/zinc/92/03/28/1042920328.db2.gz SIBCUEUVJKZCLX-UHFFFAOYSA-N 2 1 379.548 3.705 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3ccc(C[NH+]4CCN(C)CC4)cc3)c(C)c2)CC1 ZINC001240396393 1042926130 /nfs/dbraw/zinc/92/61/30/1042926130.db2.gz UFPPLBYUSNRXJJ-UHFFFAOYSA-N 2 1 390.575 3.913 20 0 GHADMP CC[N@H+]1CC=C(c2cnc(-c3ccc(CN4CC[NH+](C)CC4)cc3)c(C)c2)CC1 ZINC001240396393 1042926132 /nfs/dbraw/zinc/92/61/32/1042926132.db2.gz UFPPLBYUSNRXJJ-UHFFFAOYSA-N 2 1 390.575 3.913 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3ccc(CN4CC[NH+](C)CC4)cc3)c(C)c2)CC1 ZINC001240396393 1042926135 /nfs/dbraw/zinc/92/61/35/1042926135.db2.gz UFPPLBYUSNRXJJ-UHFFFAOYSA-N 2 1 390.575 3.913 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C(F)(F)F)cc1Cl)C2 ZINC001278314823 1042936856 /nfs/dbraw/zinc/93/68/56/1042936856.db2.gz QOLQGMUAJUWBOI-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001291620230 1043359989 /nfs/dbraw/zinc/35/99/89/1043359989.db2.gz HPIFQNNPNZNWAS-LJQANCHMSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC001256482592 1043416267 /nfs/dbraw/zinc/41/62/67/1043416267.db2.gz DJHGNPNTHQFKMM-PKOBYXMFSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256521996 1043448497 /nfs/dbraw/zinc/44/84/97/1043448497.db2.gz CCPUNTOLWOUFLU-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256521996 1043448505 /nfs/dbraw/zinc/44/85/05/1043448505.db2.gz CCPUNTOLWOUFLU-NQIIRXRSSA-N 2 1 387.568 3.886 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256529729 1043461393 /nfs/dbraw/zinc/46/13/93/1043461393.db2.gz WLOMDIXUXATYDJ-WMZHIEFXSA-N 2 1 380.532 3.935 20 0 GHADMP COC(=O)CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001256529729 1043461401 /nfs/dbraw/zinc/46/14/01/1043461401.db2.gz WLOMDIXUXATYDJ-WMZHIEFXSA-N 2 1 380.532 3.935 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccncc3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530291 1043461710 /nfs/dbraw/zinc/46/17/10/1043461710.db2.gz BFSNAVRQXRYPMO-NFBKMPQASA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C2(Cc3ccncc3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256530291 1043461717 /nfs/dbraw/zinc/46/17/17/1043461717.db2.gz BFSNAVRQXRYPMO-NFBKMPQASA-N 2 1 379.548 3.816 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256531190 1043463483 /nfs/dbraw/zinc/46/34/83/1043463483.db2.gz QWMZHCGHGXSXQY-BWKNWUBXSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256531190 1043463490 /nfs/dbraw/zinc/46/34/90/1043463490.db2.gz QWMZHCGHGXSXQY-BWKNWUBXSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C23CC(NC(=O)OC(C)(C)C)(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC001256536998 1043480603 /nfs/dbraw/zinc/48/06/03/1043480603.db2.gz KKPGQFDOJSGUGK-OMMZEQHOSA-N 2 1 385.552 3.829 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C23CC(NC(=O)OC(C)(C)C)(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536998 1043480615 /nfs/dbraw/zinc/48/06/15/1043480615.db2.gz KKPGQFDOJSGUGK-OMMZEQHOSA-N 2 1 385.552 3.829 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256548853 1043512016 /nfs/dbraw/zinc/51/20/16/1043512016.db2.gz ZAHXCLASKZXYCE-XBZUYWNMSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256548853 1043512032 /nfs/dbraw/zinc/51/20/32/1043512032.db2.gz ZAHXCLASKZXYCE-XBZUYWNMSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548853 1043512042 /nfs/dbraw/zinc/51/20/42/1043512042.db2.gz ZAHXCLASKZXYCE-XBZUYWNMSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256548853 1043512054 /nfs/dbraw/zinc/51/20/54/1043512054.db2.gz ZAHXCLASKZXYCE-XBZUYWNMSA-N 2 1 395.572 3.696 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552368 1043516296 /nfs/dbraw/zinc/51/62/96/1043516296.db2.gz BLSVGBIULVUZDS-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256552368 1043516309 /nfs/dbraw/zinc/51/63/09/1043516309.db2.gz BLSVGBIULVUZDS-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256552368 1043516319 /nfs/dbraw/zinc/51/63/19/1043516319.db2.gz BLSVGBIULVUZDS-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256552368 1043516330 /nfs/dbraw/zinc/51/63/30/1043516330.db2.gz BLSVGBIULVUZDS-TYPHKJRUSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552398 1043516678 /nfs/dbraw/zinc/51/66/78/1043516678.db2.gz BWUIIFBIAIAVMC-SESVDKBCSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256552398 1043516687 /nfs/dbraw/zinc/51/66/87/1043516687.db2.gz BWUIIFBIAIAVMC-SESVDKBCSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256552398 1043516698 /nfs/dbraw/zinc/51/66/98/1043516698.db2.gz BWUIIFBIAIAVMC-SESVDKBCSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256552398 1043516709 /nfs/dbraw/zinc/51/67/09/1043516709.db2.gz BWUIIFBIAIAVMC-SESVDKBCSA-N 2 1 387.568 3.981 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)C1=O ZINC001256552382 1043517274 /nfs/dbraw/zinc/51/72/74/1043517274.db2.gz AWGDSVZZKPGRBX-RBBKRZOGSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)N1CCC2(CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)C1=O ZINC001256552382 1043517281 /nfs/dbraw/zinc/51/72/81/1043517281.db2.gz AWGDSVZZKPGRBX-RBBKRZOGSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@H]1C[C@H](n2ncc3cc(N4CC[NH2+]CC4)ccc32)CC[N@H+]1Cc1ccccc1 ZINC001256552811 1043519177 /nfs/dbraw/zinc/51/91/77/1043519177.db2.gz DTLUILGJMHJXNA-WMZHIEFXSA-N 2 1 389.547 3.672 20 0 GHADMP COc1cc(N(C2CC[NH2+]CC2)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccn1 ZINC001256558398 1043530343 /nfs/dbraw/zinc/53/03/43/1043530343.db2.gz RRQUAWYXHQXDHQ-CVDCTZTESA-N 2 1 394.563 3.702 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001256559027 1043532665 /nfs/dbraw/zinc/53/26/65/1043532665.db2.gz XSEYAMRIOPQZMP-OUJCMCIWSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001256559027 1043532671 /nfs/dbraw/zinc/53/26/71/1043532671.db2.gz XSEYAMRIOPQZMP-OUJCMCIWSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001256559027 1043532679 /nfs/dbraw/zinc/53/26/79/1043532679.db2.gz XSEYAMRIOPQZMP-OUJCMCIWSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001256559027 1043532688 /nfs/dbraw/zinc/53/26/88/1043532688.db2.gz XSEYAMRIOPQZMP-OUJCMCIWSA-N 2 1 392.543 3.928 20 0 GHADMP O=C1OCCCN1c1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001256601970 1043565774 /nfs/dbraw/zinc/56/57/74/1043565774.db2.gz LSPUVHWSFIWFHG-UHFFFAOYSA-N 2 1 379.504 3.788 20 0 GHADMP CCN(CC)C(=O)c1ccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256604726 1043567037 /nfs/dbraw/zinc/56/70/37/1043567037.db2.gz QNCVHSQAIJACMB-UHFFFAOYSA-N 2 1 393.575 3.965 20 0 GHADMP O=C1N[C@@H](c2ccccc2)C12CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256607691 1043572404 /nfs/dbraw/zinc/57/24/04/1043572404.db2.gz RFILHLSWCAALHE-QHCPKHFHSA-N 2 1 389.543 3.604 20 0 GHADMP C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256857150 1043704599 /nfs/dbraw/zinc/70/45/99/1043704599.db2.gz PCPZTAKIDNTZJQ-MSOLQXFVSA-N 2 1 388.556 3.676 20 0 GHADMP OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256862655 1043709118 /nfs/dbraw/zinc/70/91/18/1043709118.db2.gz QKKHKKJYGZIDJV-UHFFFAOYSA-N 2 1 380.319 3.852 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)C[N@H+]2C1 ZINC001292377677 1043709887 /nfs/dbraw/zinc/70/98/87/1043709887.db2.gz GBNMDLFDYFWWDT-WTIAFYNJSA-N 2 1 383.580 3.799 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@H]3C2)cc1 ZINC001256865760 1043710835 /nfs/dbraw/zinc/71/08/35/1043710835.db2.gz VFOVWXVPFRROIO-XZOQPEGZSA-N 3 1 390.575 3.894 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@H]3C2)cc1 ZINC001256865760 1043710844 /nfs/dbraw/zinc/71/08/44/1043710844.db2.gz VFOVWXVPFRROIO-XZOQPEGZSA-N 3 1 390.575 3.894 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C4CCN(c5cc[nH+]cc5)CC4)CC[C@H]3C2)cc1 ZINC001256865760 1043710854 /nfs/dbraw/zinc/71/08/54/1043710854.db2.gz VFOVWXVPFRROIO-XZOQPEGZSA-N 3 1 390.575 3.894 20 0 GHADMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001256887312 1043723009 /nfs/dbraw/zinc/72/30/09/1043723009.db2.gz SHCIDWAZQLHPEW-INIZCTEOSA-N 2 1 384.490 3.910 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256900370 1043729738 /nfs/dbraw/zinc/72/97/38/1043729738.db2.gz MWRLIEFNEPDCSC-SCTDSRPQSA-N 2 1 383.552 3.578 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](C[NH2+][C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256900370 1043729745 /nfs/dbraw/zinc/72/97/45/1043729745.db2.gz MWRLIEFNEPDCSC-SCTDSRPQSA-N 2 1 383.552 3.578 20 0 GHADMP NC(=O)[C@@H]1CCC[N@H+]1C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256927850 1043755356 /nfs/dbraw/zinc/75/53/56/1043755356.db2.gz HXVBGEJXZOAIGD-VHYCJAOWSA-N 2 1 391.559 3.950 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001257150247 1043899493 /nfs/dbraw/zinc/89/94/93/1043899493.db2.gz BRJIXNMNLBFQAC-AIZKBTNYSA-N 2 1 378.516 3.514 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001257150247 1043899509 /nfs/dbraw/zinc/89/95/09/1043899509.db2.gz BRJIXNMNLBFQAC-AIZKBTNYSA-N 2 1 378.516 3.514 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001257150248 1043899935 /nfs/dbraw/zinc/89/99/35/1043899935.db2.gz BRJIXNMNLBFQAC-DZWOVHDNSA-N 2 1 378.516 3.514 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001257150248 1043899954 /nfs/dbraw/zinc/89/99/54/1043899954.db2.gz BRJIXNMNLBFQAC-DZWOVHDNSA-N 2 1 378.516 3.514 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001257153958 1043902829 /nfs/dbraw/zinc/90/28/29/1043902829.db2.gz NSULLJZWMDCVPO-TZYHBYERSA-N 2 1 395.547 3.961 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC001257207885 1043937936 /nfs/dbraw/zinc/93/79/36/1043937936.db2.gz ADLAVQPZJUFNMV-DSKINZAPSA-N 2 1 384.605 3.953 20 0 GHADMP CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC001257207885 1043937937 /nfs/dbraw/zinc/93/79/37/1043937937.db2.gz ADLAVQPZJUFNMV-DSKINZAPSA-N 2 1 384.605 3.953 20 0 GHADMP CNC(=O)N[C@@H]1CC2(CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)c2cc(C)ccc21 ZINC001257220455 1043941384 /nfs/dbraw/zinc/94/13/84/1043941384.db2.gz PXDBGQVJTLNWTB-JOCHJYFZSA-N 2 1 398.595 3.575 20 0 GHADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001293372021 1044140431 /nfs/dbraw/zinc/14/04/31/1044140431.db2.gz NTXHYEIWNAQECZ-FQEVSTJZSA-N 2 1 393.641 3.651 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257838987 1044213613 /nfs/dbraw/zinc/21/36/13/1044213613.db2.gz SOKUKIQYRYTMIP-WRURNZQNSA-N 2 1 379.589 3.876 20 0 GHADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CCC(OC(C)C)CC3)CC2)c1 ZINC001257885037 1044244127 /nfs/dbraw/zinc/24/41/27/1044244127.db2.gz FTFNHVHDHHPIQV-UHFFFAOYSA-N 2 1 388.552 3.763 20 0 GHADMP CC[C@H]1[N@H+](C2CC[NH+](CC(C)C)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001258011688 1044336750 /nfs/dbraw/zinc/33/67/50/1044336750.db2.gz KMQMBUUWBUFUKQ-GGAORHGYSA-N 2 1 375.601 3.752 20 0 GHADMP CC(C)C[NH+]1CCC(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258012832 1044339033 /nfs/dbraw/zinc/33/90/33/1044339033.db2.gz YZKWJVBQTMXZLR-DEOSSOPVSA-N 2 1 399.623 3.862 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258013875 1044342504 /nfs/dbraw/zinc/34/25/04/1044342504.db2.gz YNXAAPUPQLEHAU-JOCHJYFZSA-N 2 1 379.589 3.972 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001258120738 1044406809 /nfs/dbraw/zinc/40/68/09/1044406809.db2.gz GFFOBQMSTBXXST-IBGZPJMESA-N 2 1 387.568 3.880 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001258127587 1044414236 /nfs/dbraw/zinc/41/42/36/1044414236.db2.gz TWTWRYYKBUIJDN-SEIRJHJZSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001258127587 1044414241 /nfs/dbraw/zinc/41/42/41/1044414241.db2.gz TWTWRYYKBUIJDN-SEIRJHJZSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001258127587 1044414244 /nfs/dbraw/zinc/41/42/44/1044414244.db2.gz TWTWRYYKBUIJDN-SEIRJHJZSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001258127587 1044414258 /nfs/dbraw/zinc/41/42/58/1044414258.db2.gz TWTWRYYKBUIJDN-SEIRJHJZSA-N 2 1 387.568 3.736 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144151 1044431694 /nfs/dbraw/zinc/43/16/94/1044431694.db2.gz PPVNLHYEXCVDHL-BVSLBCMMSA-N 2 1 399.579 3.681 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2C1CC[NH+](CCc2ccccc2)CC1 ZINC001258144151 1044431698 /nfs/dbraw/zinc/43/16/98/1044431698.db2.gz PPVNLHYEXCVDHL-BVSLBCMMSA-N 2 1 399.579 3.681 20 0 GHADMP O=C(C1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1)N1CCCCCC1 ZINC001258146076 1044434483 /nfs/dbraw/zinc/43/44/83/1044434483.db2.gz RFBWHRYSNFRJOI-UHFFFAOYSA-N 2 1 397.607 3.808 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)nc1 ZINC001258150108 1044441383 /nfs/dbraw/zinc/44/13/83/1044441383.db2.gz YCXJIRKSKPQOKT-QHCPKHFHSA-N 2 1 395.547 3.641 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)nc1 ZINC001258150108 1044441389 /nfs/dbraw/zinc/44/13/89/1044441389.db2.gz YCXJIRKSKPQOKT-QHCPKHFHSA-N 2 1 395.547 3.641 20 0 GHADMP Oc1cc(Cl)c(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(Cl)c1 ZINC001279083879 1044477379 /nfs/dbraw/zinc/47/73/79/1044477379.db2.gz LKAMPPDMVZWRMV-UHFFFAOYSA-N 2 1 395.334 3.910 20 0 GHADMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258570246 1044647906 /nfs/dbraw/zinc/64/79/06/1044647906.db2.gz LBEQLJTYWNIMER-NRFANRHFSA-N 2 1 392.547 3.530 20 0 GHADMP CC(C)CC(CC(C)C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001258835301 1044779580 /nfs/dbraw/zinc/77/95/80/1044779580.db2.gz VLBHXJVKTOUCNX-FGZHOGPDSA-N 2 1 377.617 3.854 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001258903404 1044858857 /nfs/dbraw/zinc/85/88/57/1044858857.db2.gz RNXYDJHHYVYRPO-FQEVSTJZSA-N 3 1 375.601 3.802 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC1)CC1CC1 ZINC001295567958 1045055340 /nfs/dbraw/zinc/05/53/40/1045055340.db2.gz ISCSKQZBQVOSOW-UHFFFAOYSA-N 2 1 385.596 3.765 20 0 GHADMP C[N@H+]1C[C@H](C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)[C@@H](c2ccccc2)C1 ZINC001297930870 1045661732 /nfs/dbraw/zinc/66/17/32/1045661732.db2.gz RVGNWMBHDDHHSD-RTWAWAEBSA-N 2 1 385.596 3.691 20 0 GHADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2)cc1 ZINC000382027021 1047008239 /nfs/dbraw/zinc/00/82/39/1047008239.db2.gz BLBGYRGATZIXTL-ZFFYZDHPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](N[C@H]4CC[N@@H+](Cc5ccccc5)C4)[C@@H]3C2)cc1 ZINC000382027021 1047008255 /nfs/dbraw/zinc/00/82/55/1047008255.db2.gz BLBGYRGATZIXTL-ZFFYZDHPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CC[C@@H](N[C@H]4CC[N@H+](Cc5ccccc5)C4)[C@@H]3C2)cc1 ZINC000382027021 1047008272 /nfs/dbraw/zinc/00/82/72/1047008272.db2.gz BLBGYRGATZIXTL-ZFFYZDHPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)C2)cc1 ZINC000382027021 1047008287 /nfs/dbraw/zinc/00/82/87/1047008287.db2.gz BLBGYRGATZIXTL-ZFFYZDHPSA-N 2 1 375.560 3.761 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)C2)cc1 ZINC000382027021 1047008304 /nfs/dbraw/zinc/00/83/04/1047008304.db2.gz BLBGYRGATZIXTL-ZFFYZDHPSA-N 2 1 375.560 3.761 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001264746312 1047425474 /nfs/dbraw/zinc/42/54/74/1047425474.db2.gz NMFLMTMVYRPLEE-QFIPXVFZSA-N 2 1 375.532 3.866 20 0 GHADMP FC(F)(F)CCC[N@@H+]1CCC[C@]2(CCC[NH+](CCCC3OCCO3)C2)C1 ZINC001279251247 1047749184 /nfs/dbraw/zinc/74/91/84/1047749184.db2.gz LYCNPUVHPXXTKB-SFHVURJKSA-N 2 1 378.479 3.660 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCC[C@]2(CCC[NH+](CCCC3OCCO3)C2)C1 ZINC001279251247 1047749188 /nfs/dbraw/zinc/74/91/88/1047749188.db2.gz LYCNPUVHPXXTKB-SFHVURJKSA-N 2 1 378.479 3.660 20 0 GHADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@H+](CCCC3OCCO3)C2)C1 ZINC001279251247 1047749193 /nfs/dbraw/zinc/74/91/93/1047749193.db2.gz LYCNPUVHPXXTKB-SFHVURJKSA-N 2 1 378.479 3.660 20 0 GHADMP FC(F)(F)CCC[NH+]1CCC[C@]2(CCC[N@@H+](CCCC3OCCO3)C2)C1 ZINC001279251247 1047749201 /nfs/dbraw/zinc/74/92/01/1047749201.db2.gz LYCNPUVHPXXTKB-SFHVURJKSA-N 2 1 378.479 3.660 20 0 GHADMP Cc1ncsc1C[NH+]1CC2(C1)CC[NH+](Cc1cc(Cl)ccc1N)CC2 ZINC001279307905 1047762058 /nfs/dbraw/zinc/76/20/58/1047762058.db2.gz UISHQVFYWPQCPK-UHFFFAOYSA-N 2 1 376.957 3.785 20 0 GHADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279323142 1047767938 /nfs/dbraw/zinc/76/79/38/1047767938.db2.gz XTXCTHSETNVTPW-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP Cc1cc(Br)ccc1C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001279323142 1047767941 /nfs/dbraw/zinc/76/79/41/1047767941.db2.gz XTXCTHSETNVTPW-HXUWFJFHSA-N 2 1 394.401 3.607 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cccc(C(F)(F)F)c1Cl)C2 ZINC001279366779 1047782488 /nfs/dbraw/zinc/78/24/88/1047782488.db2.gz ORHWSMRSEKRZTA-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cccc(C(F)(F)F)c1Cl)C2 ZINC001279366779 1047782496 /nfs/dbraw/zinc/78/24/96/1047782496.db2.gz ORHWSMRSEKRZTA-UHFFFAOYSA-N 2 1 389.893 3.818 20 0 GHADMP C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(CCC[NH+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826454 /nfs/dbraw/zinc/82/64/54/1047826454.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@@H](CN2CCC[C@@]3(CCC[N@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826460 /nfs/dbraw/zinc/82/64/60/1047826460.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 2 1 375.523 3.849 20 0 GHADMP C[NH+]1CCC[C@@H](CN2CCC[C@@]3(CCC[N@@H+](CCCC(F)(F)F)C3)C2)C1 ZINC001279501771 1047826466 /nfs/dbraw/zinc/82/64/66/1047826466.db2.gz JKQCSJSALKWNLA-RTBURBONSA-N 2 1 375.523 3.849 20 0 GHADMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(Cl)cs3)C[C@H]2CC1 ZINC001279578145 1047847722 /nfs/dbraw/zinc/84/77/22/1047847722.db2.gz XAMGRGLUWPHUKW-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(Cl)cs3)C[C@H]2CC1 ZINC001279578145 1047847735 /nfs/dbraw/zinc/84/77/35/1047847735.db2.gz XAMGRGLUWPHUKW-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc(Cl)cs3)C[C@H]2CC1 ZINC001279578145 1047847750 /nfs/dbraw/zinc/84/77/50/1047847750.db2.gz XAMGRGLUWPHUKW-IYBDPMFKSA-N 2 1 378.973 3.962 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CC(C)(C)Sc1ccc(Cl)cc1 ZINC001279593760 1047858135 /nfs/dbraw/zinc/85/81/35/1047858135.db2.gz QAJIAHMSXCHFQY-OALUTQOASA-N 2 1 382.017 3.921 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3sc(=O)[nH]c3Cl)C[C@H]2CC1 ZINC001279687086 1047915588 /nfs/dbraw/zinc/91/55/88/1047915588.db2.gz GKNXUMSSGBRFRY-BETUJISGSA-N 2 1 398.985 3.611 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3sc(=O)[nH]c3Cl)C[C@H]2CC1 ZINC001279687086 1047915599 /nfs/dbraw/zinc/91/55/99/1047915599.db2.gz GKNXUMSSGBRFRY-BETUJISGSA-N 2 1 398.985 3.611 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3sc(=O)[nH]c3Cl)C[C@H]2CC1 ZINC001279687086 1047915602 /nfs/dbraw/zinc/91/56/02/1047915602.db2.gz GKNXUMSSGBRFRY-BETUJISGSA-N 2 1 398.985 3.611 20 0 GHADMP Clc1ccnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279719287 1047934734 /nfs/dbraw/zinc/93/47/34/1047934734.db2.gz YFWPKOXHXVVCSK-UHFFFAOYSA-N 2 1 380.323 3.600 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Br)c4nsnc43)CC2)C1 ZINC001279766994 1047944755 /nfs/dbraw/zinc/94/47/55/1047944755.db2.gz IGFDKSDOUCAJHQ-UHFFFAOYSA-N 2 1 395.370 3.762 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(Br)c4nsnc43)CC2)C1 ZINC001279766994 1047944758 /nfs/dbraw/zinc/94/47/58/1047944758.db2.gz IGFDKSDOUCAJHQ-UHFFFAOYSA-N 2 1 395.370 3.762 20 0 GHADMP Cn1c(Br)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001279880886 1047979907 /nfs/dbraw/zinc/97/99/07/1047979907.db2.gz KSMLLDSDBWJDHP-UHFFFAOYSA-N 2 1 391.357 3.604 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC[N@H+]1CCC[C@@H]1C ZINC001305449486 1048062149 /nfs/dbraw/zinc/06/21/49/1048062149.db2.gz KPLZBHIBJTUMTO-OALUTQOASA-N 2 1 390.620 3.587 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c1Br ZINC001280116777 1048090118 /nfs/dbraw/zinc/09/01/18/1048090118.db2.gz FIFOXNDPCAFTGU-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP COc1ccc(F)c(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c1Br ZINC001280116777 1048090128 /nfs/dbraw/zinc/09/01/28/1048090128.db2.gz FIFOXNDPCAFTGU-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP Cc1ccc(I)c(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c1 ZINC001280239724 1048142408 /nfs/dbraw/zinc/14/24/08/1048142408.db2.gz QSWZEXXGKGGMHU-UHFFFAOYSA-N 2 1 384.305 3.517 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)c3cccc([C@@H]4CCC[N@@H+](C)C4)c3)CC2)c1 ZINC001306188978 1048500493 /nfs/dbraw/zinc/50/04/93/1048500493.db2.gz AJLXJAYRBZWEJR-XMMPIXPASA-N 2 1 391.559 3.762 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)CC2)c1 ZINC001306188978 1048500505 /nfs/dbraw/zinc/50/05/05/1048500505.db2.gz AJLXJAYRBZWEJR-XMMPIXPASA-N 2 1 391.559 3.762 20 0 GHADMP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC001307528322 1049374721 /nfs/dbraw/zinc/37/47/21/1049374721.db2.gz HKAYUBADNRVTRX-HXUWFJFHSA-N 2 1 377.960 3.856 20 0 GHADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC001307528322 1049374732 /nfs/dbraw/zinc/37/47/32/1049374732.db2.gz HKAYUBADNRVTRX-HXUWFJFHSA-N 2 1 377.960 3.856 20 0 GHADMP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC001307528321 1049375098 /nfs/dbraw/zinc/37/50/98/1049375098.db2.gz HKAYUBADNRVTRX-FQEVSTJZSA-N 2 1 377.960 3.856 20 0 GHADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC001307528321 1049375114 /nfs/dbraw/zinc/37/51/14/1049375114.db2.gz HKAYUBADNRVTRX-FQEVSTJZSA-N 2 1 377.960 3.856 20 0 GHADMP CC(C)c1ccnc(N2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC001307653182 1049479345 /nfs/dbraw/zinc/47/93/45/1049479345.db2.gz DEAPGJBWFUCMLQ-UHFFFAOYSA-N 2 1 393.579 3.908 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)on1 ZINC001307884477 1049665344 /nfs/dbraw/zinc/66/53/44/1049665344.db2.gz ATQXJUVOUNEQSG-IBGZPJMESA-N 2 1 396.535 3.688 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925111 1049700264 /nfs/dbraw/zinc/70/02/64/1049700264.db2.gz MPMKBVXOYCTSJS-VWNXMTODSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925111 1049700271 /nfs/dbraw/zinc/70/02/71/1049700271.db2.gz MPMKBVXOYCTSJS-VWNXMTODSA-N 2 1 389.547 3.516 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CC[C@@H](Cn2ccnn2)C1)c1ccccc1 ZINC001307925111 1049700279 /nfs/dbraw/zinc/70/02/79/1049700279.db2.gz MPMKBVXOYCTSJS-VWNXMTODSA-N 2 1 389.547 3.516 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cn2cc(Br)ccc2n1 ZINC001308037398 1049788143 /nfs/dbraw/zinc/78/81/43/1049788143.db2.gz BQMWIMZPVWKWPR-UHFFFAOYSA-N 2 1 379.346 3.795 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc(F)cc2C)CC1 ZINC001308061145 1049809202 /nfs/dbraw/zinc/80/92/02/1049809202.db2.gz FJDHCAOLHWNSMT-FQEVSTJZSA-N 2 1 397.538 3.828 20 0 GHADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001308182603 1049903597 /nfs/dbraw/zinc/90/35/97/1049903597.db2.gz PFPLCRSXJZLVJN-GOSISDBHSA-N 2 1 393.984 3.879 20 0 GHADMP c1nscc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001308197943 1049909882 /nfs/dbraw/zinc/90/98/82/1049909882.db2.gz RYWGKTGFHYDMBI-UHFFFAOYSA-N 2 1 378.545 3.755 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc3ccc(Br)cn23)C1 ZINC001308202626 1049910966 /nfs/dbraw/zinc/91/09/66/1049910966.db2.gz IAOMSLDPWZLUAQ-HNNXBMFYSA-N 2 1 379.346 3.699 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC001308205898 1049912450 /nfs/dbraw/zinc/91/24/50/1049912450.db2.gz IEJFCBDYSHHXMB-UHFFFAOYSA-N 2 1 383.536 3.871 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001290770632 1049920473 /nfs/dbraw/zinc/92/04/73/1049920473.db2.gz YOOFAYBRWQTZCR-FGCOXFRFSA-N 2 1 397.607 3.915 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001308271471 1049932792 /nfs/dbraw/zinc/93/27/92/1049932792.db2.gz SNJPMCKYOZCBMK-HXUWFJFHSA-N 3 1 381.564 3.942 20 0 GHADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC001308331414 1049951058 /nfs/dbraw/zinc/95/10/58/1049951058.db2.gz VVCDLPVIQKOLCJ-XZOQPEGZSA-N 2 1 380.532 3.733 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001308338616 1049952754 /nfs/dbraw/zinc/95/27/54/1049952754.db2.gz AGYPDXZGSCBEJO-MRXNPFEDSA-N 2 1 397.510 3.527 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001308639505 1050043238 /nfs/dbraw/zinc/04/32/38/1050043238.db2.gz RLLVPIUPWCJFOJ-IELPYKJLSA-N 2 1 393.934 3.744 20 0 GHADMP CC(C)N1C(=O)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001308639505 1050043240 /nfs/dbraw/zinc/04/32/40/1050043240.db2.gz RLLVPIUPWCJFOJ-IELPYKJLSA-N 2 1 393.934 3.744 20 0 GHADMP CCOC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]c1C ZINC001308789737 1050094898 /nfs/dbraw/zinc/09/48/98/1050094898.db2.gz INSCEJWWOKGYNQ-UHFFFAOYSA-N 2 1 395.547 3.988 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308919047 1050169978 /nfs/dbraw/zinc/16/99/78/1050169978.db2.gz STCILIGGMWLXEN-KRWDZBQOSA-N 2 1 392.503 3.759 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308919047 1050169982 /nfs/dbraw/zinc/16/99/82/1050169982.db2.gz STCILIGGMWLXEN-KRWDZBQOSA-N 2 1 392.503 3.759 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858488 1050660250 /nfs/dbraw/zinc/66/02/50/1050660250.db2.gz IDSKMIJRHOEGRX-OAQYLSRUSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858488 1050660260 /nfs/dbraw/zinc/66/02/60/1050660260.db2.gz IDSKMIJRHOEGRX-OAQYLSRUSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858488 1050660268 /nfs/dbraw/zinc/66/02/68/1050660268.db2.gz IDSKMIJRHOEGRX-OAQYLSRUSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858487 1050660909 /nfs/dbraw/zinc/66/09/09/1050660909.db2.gz IDSKMIJRHOEGRX-NRFANRHFSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858487 1050660914 /nfs/dbraw/zinc/66/09/14/1050660914.db2.gz IDSKMIJRHOEGRX-NRFANRHFSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccc(F)cc3F)C2)ccn1 ZINC001328858487 1050660924 /nfs/dbraw/zinc/66/09/24/1050660924.db2.gz IDSKMIJRHOEGRX-NRFANRHFSA-N 2 1 389.490 3.896 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC001331501535 1051303008 /nfs/dbraw/zinc/30/30/08/1051303008.db2.gz LZWBBJIBHANUCA-IRLDBZIGSA-N 2 1 383.511 3.668 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001311429242 1052133741 /nfs/dbraw/zinc/13/37/41/1052133741.db2.gz LPVJUTFKGGCFHB-UHFFFAOYSA-N 2 1 388.600 3.708 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487218 1052194761 /nfs/dbraw/zinc/19/47/61/1052194761.db2.gz OVSZXQHOVQJEFZ-VAMGGRTRSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487218 1052194767 /nfs/dbraw/zinc/19/47/67/1052194767.db2.gz OVSZXQHOVQJEFZ-VAMGGRTRSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC001311487218 1052194771 /nfs/dbraw/zinc/19/47/71/1052194771.db2.gz OVSZXQHOVQJEFZ-VAMGGRTRSA-N 2 1 392.975 3.649 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)cc1 ZINC001311492665 1052199483 /nfs/dbraw/zinc/19/94/83/1052199483.db2.gz DDMNMCWIYSFSFX-VQTJNVASSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC001311492665 1052199491 /nfs/dbraw/zinc/19/94/91/1052199491.db2.gz DDMNMCWIYSFSFX-VQTJNVASSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC001311492665 1052199496 /nfs/dbraw/zinc/19/94/96/1052199496.db2.gz DDMNMCWIYSFSFX-VQTJNVASSA-N 2 1 398.595 3.687 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC001311748201 1052371544 /nfs/dbraw/zinc/37/15/44/1052371544.db2.gz ZQFBHRBTAHZHIS-UPVQGACJSA-N 2 1 394.563 3.562 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001311887312 1052457611 /nfs/dbraw/zinc/45/76/11/1052457611.db2.gz CLCHGQJEJYNNNW-HXUWFJFHSA-N 2 1 378.605 3.691 20 0 GHADMP CC(C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1Cl ZINC001311978955 1052511259 /nfs/dbraw/zinc/51/12/59/1052511259.db2.gz ZOHKPSVMWPIBFR-LPHOPBHVSA-N 2 1 382.980 3.608 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC001312164254 1052608414 /nfs/dbraw/zinc/60/84/14/1052608414.db2.gz JYLBPMVSLUTBPW-UYAOXDASSA-N 2 1 392.975 3.649 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC001312647108 1052824091 /nfs/dbraw/zinc/82/40/91/1052824091.db2.gz FEWGIRYAHSSNPO-GJPOJAMWSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001313092322 1052955310 /nfs/dbraw/zinc/95/53/10/1052955310.db2.gz PAHZAPBDDPFMIZ-UHFFFAOYSA-N 2 1 388.600 3.707 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC001313371077 1053034634 /nfs/dbraw/zinc/03/46/34/1053034634.db2.gz WQVBZBVQDHVFNQ-GOSISDBHSA-N 2 1 394.991 3.535 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001313872572 1053264333 /nfs/dbraw/zinc/26/43/33/1053264333.db2.gz WZTDDPXBRUHCHW-CEXWTWQISA-N 2 1 392.636 3.516 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC001318660030 1054779996 /nfs/dbraw/zinc/77/99/96/1054779996.db2.gz DAQDXMYJGRWKAD-ZRCGQRJVSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001318660030 1054780004 /nfs/dbraw/zinc/78/00/04/1054780004.db2.gz DAQDXMYJGRWKAD-ZRCGQRJVSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC001318660030 1054780017 /nfs/dbraw/zinc/78/00/17/1054780017.db2.gz DAQDXMYJGRWKAD-ZRCGQRJVSA-N 2 1 398.595 3.544 20 0 GHADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001324784104 1057225602 /nfs/dbraw/zinc/22/56/02/1057225602.db2.gz KMWUHCRFYNOFNB-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324784104 1057225606 /nfs/dbraw/zinc/22/56/06/1057225606.db2.gz KMWUHCRFYNOFNB-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324784104 1057225614 /nfs/dbraw/zinc/22/56/14/1057225614.db2.gz KMWUHCRFYNOFNB-GTCWDNOESA-N 2 1 398.595 3.555 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)[NH+](C)C ZINC001325019078 1057263955 /nfs/dbraw/zinc/26/39/55/1057263955.db2.gz VWRRAXYAHWCWAA-OIBXWCBGSA-N 2 1 394.563 3.552 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)[NH+](C)C ZINC001325019078 1057263962 /nfs/dbraw/zinc/26/39/62/1057263962.db2.gz VWRRAXYAHWCWAA-OIBXWCBGSA-N 2 1 394.563 3.552 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000848888707 1057397503 /nfs/dbraw/zinc/39/75/03/1057397503.db2.gz AOLDWCRYZQGUGN-MDZDMXLPSA-N 2 1 394.515 3.954 20 0 GHADMP CC(C)c1ccc(/C=C\CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001356616163 1057574145 /nfs/dbraw/zinc/57/41/45/1057574145.db2.gz NTBXJCIWQLEEMU-PLNGDYQASA-N 2 1 378.520 3.999 20 0 GHADMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000849078885 1057583692 /nfs/dbraw/zinc/58/36/92/1057583692.db2.gz JFOQEBYBFXXXCE-VGOFRKELSA-N 2 1 380.536 3.903 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000849092573 1057591830 /nfs/dbraw/zinc/59/18/30/1057591830.db2.gz QXVVEXZBSBQOOQ-RTWAWAEBSA-N 2 1 378.520 3.535 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1 ZINC001339050638 1058939883 /nfs/dbraw/zinc/93/98/83/1058939883.db2.gz XWMITHIRLIQQTH-WOJBJXKFSA-N 2 1 388.600 3.927 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)c1 ZINC001339162160 1058989493 /nfs/dbraw/zinc/98/94/93/1058989493.db2.gz ZMIJPAFYUNILNO-UHFFFAOYSA-N 2 1 391.519 3.819 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC001442925080 1059030415 /nfs/dbraw/zinc/03/04/15/1059030415.db2.gz PQLZESWYIQNNTL-SFHVURJKSA-N 2 1 382.552 3.533 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001448130330 1060117004 /nfs/dbraw/zinc/11/70/04/1060117004.db2.gz ZNQNPLYVQFWKKY-JTHBVZDNSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001448130330 1060117013 /nfs/dbraw/zinc/11/70/13/1060117013.db2.gz ZNQNPLYVQFWKKY-JTHBVZDNSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001448130330 1060117026 /nfs/dbraw/zinc/11/70/26/1060117026.db2.gz ZNQNPLYVQFWKKY-JTHBVZDNSA-N 2 1 383.580 3.668 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)[C@]23CC[NH2+][C@H]2CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC001341757061 1060865467 /nfs/dbraw/zinc/86/54/67/1060865467.db2.gz IITZNNNFVOIYDM-XJRBWHPUSA-N 2 1 393.934 3.510 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)c1 ZINC001454458275 1061786817 /nfs/dbraw/zinc/78/68/17/1061786817.db2.gz HAHNCORGTFXTLY-RPWUZVMVSA-N 2 1 391.559 3.831 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)c1 ZINC001454458275 1061786824 /nfs/dbraw/zinc/78/68/24/1061786824.db2.gz HAHNCORGTFXTLY-RPWUZVMVSA-N 2 1 391.559 3.831 20 0 GHADMP C[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCCCC1 ZINC001347725968 1062599647 /nfs/dbraw/zinc/59/96/47/1062599647.db2.gz WPFYPLSUEQHJQQ-ZSJMHYJMSA-N 2 1 383.580 3.953 20 0 GHADMP C[C@H](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC001457420338 1063166034 /nfs/dbraw/zinc/16/60/34/1063166034.db2.gz COKORUDOPVUYSN-DYESRHJHSA-N 2 1 387.955 3.970 20 0 GHADMP C[C@H](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC001457420338 1063166052 /nfs/dbraw/zinc/16/60/52/1063166052.db2.gz COKORUDOPVUYSN-DYESRHJHSA-N 2 1 387.955 3.970 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC001457556931 1063243674 /nfs/dbraw/zinc/24/36/74/1063243674.db2.gz MLOWIEZBXWVJJD-HBMCJLEFSA-N 2 1 385.577 3.940 20 0 GHADMP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001457702716 1063320290 /nfs/dbraw/zinc/32/02/90/1063320290.db2.gz NCNMXSAHGWGDSO-JOCHJYFZSA-N 2 1 397.538 3.839 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1)c1ccccc1 ZINC001459313303 1064058386 /nfs/dbraw/zinc/05/83/86/1064058386.db2.gz LUWQOVRXUAXYSB-OAQYLSRUSA-N 2 1 385.939 3.724 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)c1ccccc1 ZINC001459313303 1064058399 /nfs/dbraw/zinc/05/83/99/1064058399.db2.gz LUWQOVRXUAXYSB-OAQYLSRUSA-N 2 1 385.939 3.724 20 0 GHADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459611484 1064142514 /nfs/dbraw/zinc/14/25/14/1064142514.db2.gz AMTKLPJBDYRQCB-DEOSSOPVSA-N 2 1 379.548 3.620 20 0 GHADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC001459611484 1064142520 /nfs/dbraw/zinc/14/25/20/1064142520.db2.gz AMTKLPJBDYRQCB-DEOSSOPVSA-N 2 1 379.548 3.620 20 0 GHADMP Cc1cc(Cl)ccc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001459713490 1064181918 /nfs/dbraw/zinc/18/19/18/1064181918.db2.gz BYZAJBWASGJERP-UHFFFAOYSA-N 2 1 387.955 3.911 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001464811424 1065224320 /nfs/dbraw/zinc/22/43/20/1065224320.db2.gz MUNOPDNNSSPERF-DENIHFKCSA-N 2 1 379.548 3.754 20 0 GHADMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720640 1065251865 /nfs/dbraw/zinc/25/18/65/1065251865.db2.gz WIIXAITVQJDNMB-LJQANCHMSA-N 2 1 397.485 3.613 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720640 1065251876 /nfs/dbraw/zinc/25/18/76/1065251876.db2.gz WIIXAITVQJDNMB-LJQANCHMSA-N 2 1 397.485 3.613 20 0 GHADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720640 1065251888 /nfs/dbraw/zinc/25/18/88/1065251888.db2.gz WIIXAITVQJDNMB-LJQANCHMSA-N 2 1 397.485 3.613 20 0 GHADMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001352720640 1065251901 /nfs/dbraw/zinc/25/19/01/1065251901.db2.gz WIIXAITVQJDNMB-LJQANCHMSA-N 2 1 397.485 3.613 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001465257117 1065504989 /nfs/dbraw/zinc/50/49/89/1065504989.db2.gz FJSGQPYLQNYAJD-YKSBVNFPSA-N 2 1 393.575 3.916 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1(C)C ZINC001200314882 1065901896 /nfs/dbraw/zinc/90/18/96/1065901896.db2.gz ROMVTIIBKGQJLN-PMACEKPBSA-N 2 1 394.003 3.954 20 0 GHADMP C[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001465948198 1065933923 /nfs/dbraw/zinc/93/39/23/1065933923.db2.gz UDJDHDYALKDAPT-UHFFFAOYSA-N 2 1 395.547 3.664 20 0 GHADMP O=C(CCCCC1CC[NH2+]CC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC001353526387 1066001799 /nfs/dbraw/zinc/00/17/99/1066001799.db2.gz LECXCVNYEBRHTB-UHFFFAOYSA-N 2 1 375.582 3.734 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C[N@@H+]2C1 ZINC001466950238 1066409215 /nfs/dbraw/zinc/40/92/15/1066409215.db2.gz PQTNKJASNAXHDY-FRFSOERESA-N 2 1 394.357 3.570 20 0 GHADMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3ccc(C[NH+](C)C)c(Br)c3)C[N@H+]2C1 ZINC001466950238 1066409217 /nfs/dbraw/zinc/40/92/17/1066409217.db2.gz PQTNKJASNAXHDY-FRFSOERESA-N 2 1 394.357 3.570 20 0 GHADMP CCOc1ccccc1[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001357398469 1067083334 /nfs/dbraw/zinc/08/33/34/1067083334.db2.gz YMIQUMCSYAOFIX-CZTZKLFOSA-N 2 1 395.547 3.645 20 0 GHADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001477615111 1078492561 /nfs/dbraw/zinc/49/25/61/1078492561.db2.gz KRFYWGVIWVCNBL-UNMCSNQZSA-N 2 1 386.584 3.729 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001477652079 1078509311 /nfs/dbraw/zinc/50/93/11/1078509311.db2.gz IJICZGWWIPCDBT-VXKWHMMOSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001477652079 1078509319 /nfs/dbraw/zinc/50/93/19/1078509319.db2.gz IJICZGWWIPCDBT-VXKWHMMOSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001477652079 1078509328 /nfs/dbraw/zinc/50/93/28/1078509328.db2.gz IJICZGWWIPCDBT-VXKWHMMOSA-N 2 1 398.595 3.605 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001477654887 1078511124 /nfs/dbraw/zinc/51/11/24/1078511124.db2.gz YULVWQLLYDIBKT-IFMALSPDSA-N 2 1 388.600 3.563 20 0 GHADMP CCCC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CCC1 ZINC001473366281 1067491690 /nfs/dbraw/zinc/49/16/90/1067491690.db2.gz BZRIBUHEZXLWDZ-QHCPKHFHSA-N 2 1 385.596 3.978 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001468173024 1067619917 /nfs/dbraw/zinc/61/99/17/1067619917.db2.gz APZAVLHBARMIPP-XZYOPWHXSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC001468211711 1067633484 /nfs/dbraw/zinc/63/34/84/1067633484.db2.gz QHTGVKDWUNGRBZ-ZCNNSNEGSA-N 2 1 380.621 3.697 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC001468247694 1067650160 /nfs/dbraw/zinc/65/01/60/1067650160.db2.gz NTPVPQLTZHILQJ-LPHOPBHVSA-N 2 1 394.991 3.752 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1CCC(c2ccccc2)CC1 ZINC001468722304 1067848495 /nfs/dbraw/zinc/84/84/95/1067848495.db2.gz VOHPXXIAMLSHMZ-YMISUZCDSA-N 2 1 388.600 3.532 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1CCC(c2ccccc2)CC1 ZINC001468722304 1067848500 /nfs/dbraw/zinc/84/85/00/1067848500.db2.gz VOHPXXIAMLSHMZ-YMISUZCDSA-N 2 1 388.600 3.532 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001468746112 1067858718 /nfs/dbraw/zinc/85/87/18/1067858718.db2.gz IWTZDCNMYRRISC-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC001468759352 1067864574 /nfs/dbraw/zinc/86/45/74/1067864574.db2.gz DMTHYNJFFCGMJR-LJQANCHMSA-N 2 1 380.621 3.650 20 0 GHADMP CCC(CC)(CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC001468831798 1067904086 /nfs/dbraw/zinc/90/40/86/1067904086.db2.gz RGECNYRDNHPYJG-IBGZPJMESA-N 2 1 388.600 3.927 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001477927047 1078631827 /nfs/dbraw/zinc/63/18/27/1078631827.db2.gz KJUPDIVNFPAKOO-FCHUYYIVSA-N 2 1 386.584 3.777 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)NCC3(CC(C)C)CCCC3)CC2)CC1 ZINC001469290939 1068082395 /nfs/dbraw/zinc/08/23/95/1068082395.db2.gz JGZNYNYPWLNBOV-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)NCC3(CC(C)C)CCCC3)CC2)CC1 ZINC001469290939 1068082408 /nfs/dbraw/zinc/08/24/08/1068082408.db2.gz JGZNYNYPWLNBOV-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001469315130 1068095652 /nfs/dbraw/zinc/09/56/52/1068095652.db2.gz AENKFCVHPFWBET-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC001360169283 1068397317 /nfs/dbraw/zinc/39/73/17/1068397317.db2.gz ZMNWBWALQFDUEX-FQEVSTJZSA-N 2 1 389.927 3.912 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001469923423 1068472052 /nfs/dbraw/zinc/47/20/52/1068472052.db2.gz KBAKCCMEMIJQDQ-PZJWPPBQSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001469923423 1068472057 /nfs/dbraw/zinc/47/20/57/1068472057.db2.gz KBAKCCMEMIJQDQ-PZJWPPBQSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001469923423 1068472062 /nfs/dbraw/zinc/47/20/62/1068472062.db2.gz KBAKCCMEMIJQDQ-PZJWPPBQSA-N 2 1 388.600 3.707 20 0 GHADMP OC[C@@]1([N@@H+](Cc2ccccc2)Cc2cccc(C[NH+]3CCCCC3)c2)CCOC1 ZINC001460088525 1068774790 /nfs/dbraw/zinc/77/47/90/1068774790.db2.gz GAVAEBKVMLXGFS-VWLOTQADSA-N 2 1 394.559 3.826 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001460692053 1069090273 /nfs/dbraw/zinc/09/02/73/1069090273.db2.gz NWHMNRKEFXUXBF-UHFFFAOYSA-N 2 1 381.948 3.793 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001460692053 1069090274 /nfs/dbraw/zinc/09/02/74/1069090274.db2.gz NWHMNRKEFXUXBF-UHFFFAOYSA-N 2 1 381.948 3.793 20 0 GHADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC001460693659 1069091750 /nfs/dbraw/zinc/09/17/50/1069091750.db2.gz RZGFOKZZARWAQA-WIYYLYMNSA-N 2 1 375.532 3.686 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1C[C@@H](C)[NH+](CC)C[C@H]1C)Cc1ccccc1 ZINC001470719181 1072704162 /nfs/dbraw/zinc/70/41/62/1072704162.db2.gz ULNXGZCSIOPOOM-NHCUHLMSSA-N 2 1 388.600 3.803 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C)Cc1ccccc1 ZINC001470719181 1072704167 /nfs/dbraw/zinc/70/41/67/1072704167.db2.gz ULNXGZCSIOPOOM-NHCUHLMSSA-N 2 1 388.600 3.803 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)Cc1ccccc1 ZINC001470719181 1072704176 /nfs/dbraw/zinc/70/41/76/1072704176.db2.gz ULNXGZCSIOPOOM-NHCUHLMSSA-N 2 1 388.600 3.803 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(c3cc[nH+]cc3C(F)(F)F)C2)O1 ZINC001472861849 1073699767 /nfs/dbraw/zinc/69/97/67/1073699767.db2.gz DQJZZBDGBBFCRN-JXFKEZNVSA-N 2 1 391.437 3.970 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145182 1073806885 /nfs/dbraw/zinc/80/68/85/1073806885.db2.gz DWIZLLRBRZDAFR-VWNXMTODSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145182 1073806896 /nfs/dbraw/zinc/80/68/96/1073806896.db2.gz DWIZLLRBRZDAFR-VWNXMTODSA-N 2 1 393.575 3.880 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCC[C@H](CCC(N)=O)C1)c1ccccc1 ZINC001473145182 1073806905 /nfs/dbraw/zinc/80/69/05/1073806905.db2.gz DWIZLLRBRZDAFR-VWNXMTODSA-N 2 1 393.575 3.880 20 0 GHADMP CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156120 1073814212 /nfs/dbraw/zinc/81/42/12/1073814212.db2.gz PNHJQUVLFJHIQP-PZJWPPBQSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@H](C)[C@@H](C)[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156120 1073814214 /nfs/dbraw/zinc/81/42/14/1073814214.db2.gz PNHJQUVLFJHIQP-PZJWPPBQSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@H](C)[C@@H](C)[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156120 1073814218 /nfs/dbraw/zinc/81/42/18/1073814218.db2.gz PNHJQUVLFJHIQP-PZJWPPBQSA-N 2 1 385.596 3.928 20 0 GHADMP O=C(Cc1ccccc1)OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001473220562 1073868586 /nfs/dbraw/zinc/86/85/86/1073868586.db2.gz XRWQYPIQGXWLCG-BJKOFHAPSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001473220562 1073868592 /nfs/dbraw/zinc/86/85/92/1073868592.db2.gz XRWQYPIQGXWLCG-BJKOFHAPSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001473220562 1073868601 /nfs/dbraw/zinc/86/86/01/1073868601.db2.gz XRWQYPIQGXWLCG-BJKOFHAPSA-N 2 1 392.543 3.759 20 0 GHADMP O=C(Cc1ccccc1)OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001473220562 1073868608 /nfs/dbraw/zinc/86/86/08/1073868608.db2.gz XRWQYPIQGXWLCG-BJKOFHAPSA-N 2 1 392.543 3.759 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C)c1ccccc1 ZINC001473266471 1073898101 /nfs/dbraw/zinc/89/81/01/1073898101.db2.gz ZTUPFVKQUUKFMM-NRFANRHFSA-N 2 1 385.527 3.845 20 0 GHADMP CS[C@@H]1CN(C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C[C@@H]1[NH+](C)C ZINC001473351340 1073931534 /nfs/dbraw/zinc/93/15/34/1073931534.db2.gz IWHMUJONRLCAGT-KMDXXIMOSA-N 2 1 397.632 3.880 20 0 GHADMP OC[C@]1([N@@H+](Cc2ccccc2)Cc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC001473467966 1073979922 /nfs/dbraw/zinc/97/99/22/1073979922.db2.gz KFZQNUFNRVQOBV-RUZDIDTESA-N 2 1 394.559 3.826 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001473655854 1074070878 /nfs/dbraw/zinc/07/08/78/1074070878.db2.gz DJQLGAGHLGQBDN-UGKGYDQZSA-N 2 1 383.580 3.668 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC001473716955 1074104492 /nfs/dbraw/zinc/10/44/92/1074104492.db2.gz NSZFXVKYEPIXDQ-NHCUHLMSSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCC(=O)NCC1CCCCC1)C2 ZINC001473717921 1074105407 /nfs/dbraw/zinc/10/54/07/1074105407.db2.gz CECRZENPDBNWCK-PLQXJYEYSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCC(=O)NCC1CCCCC1)C2 ZINC001473717921 1074105413 /nfs/dbraw/zinc/10/54/13/1074105413.db2.gz CECRZENPDBNWCK-PLQXJYEYSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@]12C[NH+](CCC(=O)NCC3CCCCC3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001473717921 1074105418 /nfs/dbraw/zinc/10/54/18/1074105418.db2.gz CECRZENPDBNWCK-PLQXJYEYSA-N 2 1 397.607 3.917 20 0 GHADMP C[C@]12C[NH+](CCC(=O)NCC3CCCCC3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001473717921 1074105424 /nfs/dbraw/zinc/10/54/24/1074105424.db2.gz CECRZENPDBNWCK-PLQXJYEYSA-N 2 1 397.607 3.917 20 0 GHADMP CC(C)C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001473739110 1074117451 /nfs/dbraw/zinc/11/74/51/1074117451.db2.gz HSOIUDFTJKENRM-UHFFFAOYSA-N 2 1 385.474 3.944 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC001473740169 1074118212 /nfs/dbraw/zinc/11/82/12/1074118212.db2.gz BSUNZSSXOOXAOE-WTIAFYNJSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](C2CCC2)CC1 ZINC001473740169 1074118213 /nfs/dbraw/zinc/11/82/13/1074118213.db2.gz BSUNZSSXOOXAOE-WTIAFYNJSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H](C2CCC2)CC1 ZINC001473740169 1074118214 /nfs/dbraw/zinc/11/82/14/1074118214.db2.gz BSUNZSSXOOXAOE-WTIAFYNJSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1(Cc2ccccc2)CCCC1)c1ccccc1 ZINC001473775685 1074136805 /nfs/dbraw/zinc/13/68/05/1074136805.db2.gz SPYITRYWBBYKPY-HSZRJFAPSA-N 2 1 393.575 3.893 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001473842292 1074170026 /nfs/dbraw/zinc/17/00/26/1074170026.db2.gz WTHURHYYBLRQEZ-UHFFFAOYSA-N 2 1 378.561 3.845 20 0 GHADMP COc1cccc2c1CCC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C2 ZINC001473913477 1074201769 /nfs/dbraw/zinc/20/17/69/1074201769.db2.gz FOFXZWUNEXIQAG-PZJWPPBQSA-N 2 1 399.604 3.582 20 0 GHADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)cc1 ZINC001473917568 1074202141 /nfs/dbraw/zinc/20/21/41/1074202141.db2.gz GILLZAGSBYTYTB-UHFFFAOYSA-N 2 1 386.540 3.507 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C4CCOCC4)C3)cc2)CC1 ZINC001473935671 1074210559 /nfs/dbraw/zinc/21/05/59/1074210559.db2.gz BULDUVXFXZECCG-RPBOFIJWSA-N 2 1 399.623 3.899 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c(F)cc(Br)cc2F)c1 ZINC001473939614 1074212393 /nfs/dbraw/zinc/21/23/93/1074212393.db2.gz NQCRETCKRLKVGQ-UHFFFAOYSA-N 2 1 399.279 3.958 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)ccc1-n1cncn1 ZINC001474019284 1074237670 /nfs/dbraw/zinc/23/76/70/1074237670.db2.gz UVBWTYLLXMCYMW-RXVVDRJESA-N 2 1 381.549 3.810 20 0 GHADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1-n1cncn1 ZINC001474019284 1074237673 /nfs/dbraw/zinc/23/76/73/1074237673.db2.gz UVBWTYLLXMCYMW-RXVVDRJESA-N 2 1 381.549 3.810 20 0 GHADMP CSc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001474067863 1074252604 /nfs/dbraw/zinc/25/26/04/1074252604.db2.gz HUHJHSPOGZQDEC-IRXDYDNUSA-N 2 1 399.398 3.638 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(-c3ccccn3)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC001474073411 1074254607 /nfs/dbraw/zinc/25/46/07/1074254607.db2.gz MZWDMIATCPVADV-AZUAARDMSA-N 2 1 375.520 3.862 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001474131148 1074271500 /nfs/dbraw/zinc/27/15/00/1074271500.db2.gz FNXCNIZNPXZHJU-DEOSSOPVSA-N 2 1 395.547 3.613 20 0 GHADMP COC(=O)c1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n2c1CCCC2 ZINC001474131148 1074271506 /nfs/dbraw/zinc/27/15/06/1074271506.db2.gz FNXCNIZNPXZHJU-DEOSSOPVSA-N 2 1 395.547 3.613 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001474185668 1074287060 /nfs/dbraw/zinc/28/70/60/1074287060.db2.gz WOSCTYOVPBEMHH-PQNGQFLHSA-N 2 1 380.532 3.679 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCOc2ccccc21 ZINC001474185668 1074287065 /nfs/dbraw/zinc/28/70/65/1074287065.db2.gz WOSCTYOVPBEMHH-PQNGQFLHSA-N 2 1 380.532 3.679 20 0 GHADMP COc1cc(C)c(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c(C)n1 ZINC001474302187 1074331327 /nfs/dbraw/zinc/33/13/27/1074331327.db2.gz SGUOZOSTHDONDY-UHFFFAOYSA-N 2 1 391.519 3.619 20 0 GHADMP CCOc1cccc(F)c1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001474349097 1074357233 /nfs/dbraw/zinc/35/72/33/1074357233.db2.gz VBFGBNSJFHEBDP-UHFFFAOYSA-N 2 1 391.575 3.853 20 0 GHADMP CCOc1cccc(F)c1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001474349097 1074357236 /nfs/dbraw/zinc/35/72/36/1074357236.db2.gz VBFGBNSJFHEBDP-UHFFFAOYSA-N 2 1 391.575 3.853 20 0 GHADMP CC[N@H+](CCC1CC[NH+](Cc2cn(-c3ccccc3C)nn2)CC1)CC1CC1 ZINC001474389072 1074380625 /nfs/dbraw/zinc/38/06/25/1074380625.db2.gz FKOCSMXUINXBGE-UHFFFAOYSA-N 2 1 381.568 3.910 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(-c3ccccc3C)nn2)CC1)CC1CC1 ZINC001474389072 1074380631 /nfs/dbraw/zinc/38/06/31/1074380631.db2.gz FKOCSMXUINXBGE-UHFFFAOYSA-N 2 1 381.568 3.910 20 0 GHADMP C[C@H]1C[N@@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001474686371 1074515291 /nfs/dbraw/zinc/51/52/91/1074515291.db2.gz UFSSHTQZVSEVAO-AVRDEDQJSA-N 2 1 388.556 3.629 20 0 GHADMP COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC001474745848 1074543790 /nfs/dbraw/zinc/54/37/90/1074543790.db2.gz WFBPFADIILWHCK-WQJYWUQFSA-N 2 1 379.548 3.912 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H]([NH2+]Cc1cnc(-c3ccccc3F)s1)C2 ZINC001550422447 1126206806 /nfs/dbraw/zinc/20/68/06/1126206806.db2.gz WHYAVQXYYWHMHH-JTJHWIPRSA-N 2 1 389.540 3.519 20 0 GHADMP CC[NH+](CC)CC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000821190050 599479830 /nfs/dbraw/zinc/47/98/30/599479830.db2.gz YGOXGJRHGGEGPS-UHFFFAOYSA-N 2 1 393.539 3.590 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CCCC[C@H]4C4CC[NH2+]CC4)ccc3C2)cc1 ZINC001164416664 718891911 /nfs/dbraw/zinc/89/19/11/718891911.db2.gz FKNCNHPJSVOHKU-DEOSSOPVSA-N 2 1 390.575 3.998 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4ccc(C[NH+]5CCCC5)cn4)[C@@H]3C2)cc1 ZINC001164625869 719096465 /nfs/dbraw/zinc/09/64/65/719096465.db2.gz HEWXRASKIYNUGC-DHIUTWEWSA-N 2 1 376.548 3.778 20 0 GHADMP Cc1csc2c1nc(Cl)cc2-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681996 719632052 /nfs/dbraw/zinc/63/20/52/719632052.db2.gz KSJFCLSTGGUCBQ-UHFFFAOYSA-N 2 1 389.956 3.930 20 0 GHADMP Cc1csc2c1nc(Cl)cc2-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681996 719632065 /nfs/dbraw/zinc/63/20/65/719632065.db2.gz KSJFCLSTGGUCBQ-UHFFFAOYSA-N 2 1 389.956 3.930 20 0 GHADMP CC(C)Oc1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164699305 719893498 /nfs/dbraw/zinc/89/34/98/719893498.db2.gz ZNUDONTXOLXCQO-UHFFFAOYSA-N 2 1 387.549 3.802 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165020791 721813607 /nfs/dbraw/zinc/81/36/07/721813607.db2.gz DAOZEFQWPMEZHG-IHPCNDPISA-N 2 1 390.535 3.707 20 0 GHADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2c1C ZINC001165020791 721813608 /nfs/dbraw/zinc/81/36/08/721813608.db2.gz DAOZEFQWPMEZHG-IHPCNDPISA-N 2 1 390.535 3.707 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(S(C)(=O)=O)s2)C[N@H+]1Cc1ccccc1 ZINC000414364813 837390422 /nfs/dbraw/zinc/39/04/22/837390422.db2.gz JQDPYYIFOWIHGL-FUHWJXTLSA-N 2 1 392.590 3.542 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431795789 837570463 /nfs/dbraw/zinc/57/04/63/837570463.db2.gz QSCZBADENDAMAV-NFBKMPQASA-N 2 1 379.548 3.802 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1csc(-c2ccccc2)n1 ZINC000414112316 837602867 /nfs/dbraw/zinc/60/28/67/837602867.db2.gz XXMKFXVTMWQNCN-MRXNPFEDSA-N 2 1 382.533 3.996 20 0 GHADMP c1ccc(COCc2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655689420 837609639 /nfs/dbraw/zinc/60/96/39/837609639.db2.gz DBSOOXGXYUSLMD-XMMPIXPASA-N 2 1 380.532 3.746 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655690601 837610593 /nfs/dbraw/zinc/61/05/93/837610593.db2.gz FPATVOBWFFKLHL-DEOSSOPVSA-N 3 1 385.596 3.652 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655690601 837610597 /nfs/dbraw/zinc/61/05/97/837610597.db2.gz FPATVOBWFFKLHL-DEOSSOPVSA-N 2 1 385.596 3.652 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000655690146 837680467 /nfs/dbraw/zinc/68/04/67/837680467.db2.gz XKXQTYBZJAYFFL-HYBUGGRVSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690146 837680472 /nfs/dbraw/zinc/68/04/72/837680472.db2.gz XKXQTYBZJAYFFL-HYBUGGRVSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690146 837680477 /nfs/dbraw/zinc/68/04/77/837680477.db2.gz XKXQTYBZJAYFFL-HYBUGGRVSA-N 3 1 385.596 3.794 20 0 GHADMP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655704584 837692439 /nfs/dbraw/zinc/69/24/39/837692439.db2.gz GEBBRUGYGIPBHI-RXVVDRJESA-N 2 1 391.987 3.708 20 0 GHADMP c1sc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nc1C1CCCCC1 ZINC000655731254 837767295 /nfs/dbraw/zinc/76/72/95/837767295.db2.gz WFRGHTAOWRJVBM-IBGZPJMESA-N 2 1 377.598 3.966 20 0 GHADMP Cc1sc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nc1-c1ccccc1 ZINC000655732455 837768408 /nfs/dbraw/zinc/76/84/08/837768408.db2.gz BYCLFEGRKWJMES-HXUWFJFHSA-N 2 1 385.577 3.894 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000654729317 834441401 /nfs/dbraw/zinc/44/14/01/834441401.db2.gz RPMZRZGXFJIMDX-JMJGKCIBSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000654729317 834441406 /nfs/dbraw/zinc/44/14/06/834441406.db2.gz RPMZRZGXFJIMDX-JMJGKCIBSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000654729317 834441411 /nfs/dbraw/zinc/44/14/11/834441411.db2.gz RPMZRZGXFJIMDX-JMJGKCIBSA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH2+][C@@H](C)c1ccccc1 ZINC000458560770 834507978 /nfs/dbraw/zinc/50/79/78/834507978.db2.gz QOQRTGJEFRKFSV-RDPAVWIMSA-N 2 1 386.584 3.676 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000472289851 834514514 /nfs/dbraw/zinc/51/45/14/834514514.db2.gz AGCQLFRKARTBNH-KRWDZBQOSA-N 2 1 377.529 3.882 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000472289851 834514535 /nfs/dbraw/zinc/51/45/35/834514535.db2.gz AGCQLFRKARTBNH-KRWDZBQOSA-N 2 1 377.529 3.882 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)NC(C)(C)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000458572634 834556633 /nfs/dbraw/zinc/55/66/33/834556633.db2.gz BUQTVPBOAWLZPP-FPOVZHCZSA-N 2 1 388.600 3.707 20 0 GHADMP C[C@H]1C[C@@H](NCc2cccnc2OCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090942534 834614519 /nfs/dbraw/zinc/61/45/19/834614519.db2.gz LWEAOVFZDDOMDD-LPHOPBHVSA-N 2 1 375.463 3.868 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000090879855 834622443 /nfs/dbraw/zinc/62/24/43/834622443.db2.gz UFWIXJJBNYOFOP-LJQANCHMSA-N 2 1 375.520 3.625 20 0 GHADMP [NH3+]Cc1ccc(C[NH2+]Cc2cccc(Br)c2OC(F)F)c(F)c1 ZINC000650718078 834661672 /nfs/dbraw/zinc/66/16/72/834661672.db2.gz XIIKQKWIZUDHHF-UHFFFAOYSA-N 2 1 389.215 3.938 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3c(F)cccc3Cl)CC2)CC1 ZINC000654855528 834680151 /nfs/dbraw/zinc/68/01/51/834680151.db2.gz JLYPSOCYZRUVOF-HNNXBMFYSA-N 2 1 395.950 3.853 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3c(F)cccc3Cl)CC2)CC1 ZINC000654855529 834680276 /nfs/dbraw/zinc/68/02/76/834680276.db2.gz JLYPSOCYZRUVOF-OAHLLOKOSA-N 2 1 395.950 3.853 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2Cl)C1 ZINC000650724099 834709295 /nfs/dbraw/zinc/70/92/95/834709295.db2.gz YGVBTWDMYVDZAC-HYVNUMGLSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2Cl)C1 ZINC000650724099 834709297 /nfs/dbraw/zinc/70/92/97/834709297.db2.gz YGVBTWDMYVDZAC-HYVNUMGLSA-N 2 1 387.749 3.963 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000728572335 834760974 /nfs/dbraw/zinc/76/09/74/834760974.db2.gz YJEWKERLNMQVFA-UHFFFAOYSA-N 2 1 385.524 3.992 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000728572335 834760980 /nfs/dbraw/zinc/76/09/80/834760980.db2.gz YJEWKERLNMQVFA-UHFFFAOYSA-N 2 1 385.524 3.992 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000510068764 834831375 /nfs/dbraw/zinc/83/13/75/834831375.db2.gz CQOSGJNDUCWMDF-IFMALSPDSA-N 2 1 392.609 3.897 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000519935481 834862203 /nfs/dbraw/zinc/86/22/03/834862203.db2.gz VVHCCAFUAXKAGV-ONTIZHBOSA-N 2 1 386.584 3.552 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779672 835130270 /nfs/dbraw/zinc/13/02/70/835130270.db2.gz MOXZCHPFSUEGBI-UXHICEINSA-N 2 1 395.551 3.716 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779672 835130276 /nfs/dbraw/zinc/13/02/76/835130276.db2.gz MOXZCHPFSUEGBI-UXHICEINSA-N 2 1 395.551 3.716 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779672 835130281 /nfs/dbraw/zinc/13/02/81/835130281.db2.gz MOXZCHPFSUEGBI-UXHICEINSA-N 2 1 395.551 3.716 20 0 GHADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000375779672 835130285 /nfs/dbraw/zinc/13/02/85/835130285.db2.gz MOXZCHPFSUEGBI-UXHICEINSA-N 2 1 395.551 3.716 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4cccc(F)c4)CCC3)CC2)CC1 ZINC000655157763 835307982 /nfs/dbraw/zinc/30/79/82/835307982.db2.gz KKHLWBWLLJZFGW-UHFFFAOYSA-N 2 1 387.543 3.517 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969289 835320213 /nfs/dbraw/zinc/32/02/13/835320213.db2.gz LVWOBYZNAMTTLW-HNAYVOBHSA-N 2 1 375.463 3.827 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccc4ccsc43)CC2)CC1 ZINC000655162220 835324685 /nfs/dbraw/zinc/32/46/85/835324685.db2.gz KQONJKUBHFZGEI-UHFFFAOYSA-N 2 1 385.577 3.714 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000658083479 835404916 /nfs/dbraw/zinc/40/49/16/835404916.db2.gz WNMVGEMISSFLIC-CEXWTWQISA-N 2 1 390.453 3.886 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000658083479 835404919 /nfs/dbraw/zinc/40/49/19/835404919.db2.gz WNMVGEMISSFLIC-CEXWTWQISA-N 2 1 390.453 3.886 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000472366667 835658092 /nfs/dbraw/zinc/65/80/92/835658092.db2.gz GFYNFLIJXKDTRR-RTBURBONSA-N 2 1 380.458 3.618 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)n1 ZINC000274897764 835787076 /nfs/dbraw/zinc/78/70/76/835787076.db2.gz KQDGDKKMEYSGHU-KNQAVFIVSA-N 3 1 393.579 3.562 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000274897764 835787093 /nfs/dbraw/zinc/78/70/93/835787093.db2.gz KQDGDKKMEYSGHU-KNQAVFIVSA-N 3 1 393.579 3.562 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC(Nc2ccccc2Cl)CC1 ZINC001167674659 835827328 /nfs/dbraw/zinc/82/73/28/835827328.db2.gz MWTOTNYGHMWZJT-FQEVSTJZSA-N 2 1 387.955 3.709 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000151770047 835833013 /nfs/dbraw/zinc/83/30/13/835833013.db2.gz BYVSCAZDYVCUHM-CYBMUJFWSA-N 2 1 390.413 3.752 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208999706 835835420 /nfs/dbraw/zinc/83/54/20/835835420.db2.gz RRRMNFMCDHRJIF-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001208999706 835835428 /nfs/dbraw/zinc/83/54/28/835835428.db2.gz RRRMNFMCDHRJIF-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208999706 835835435 /nfs/dbraw/zinc/83/54/35/835835435.db2.gz RRRMNFMCDHRJIF-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208999706 835835441 /nfs/dbraw/zinc/83/54/41/835835441.db2.gz RRRMNFMCDHRJIF-OFNKIYASSA-N 2 1 385.552 3.594 20 0 GHADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC(C)(C)C1 ZINC000584374771 835936180 /nfs/dbraw/zinc/93/61/80/835936180.db2.gz RYIYNPXDVQTSGF-KRWDZBQOSA-N 2 1 375.582 3.542 20 0 GHADMP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000092559965 844113952 /nfs/dbraw/zinc/11/39/52/844113952.db2.gz VLWLYUCRXYOSNJ-UHFFFAOYSA-N 2 1 388.552 3.509 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(Cl)c1OC ZINC000092587557 844122715 /nfs/dbraw/zinc/12/27/15/844122715.db2.gz UXDZSGJJEDIHRV-HOTGVXAUSA-N 2 1 396.959 3.678 20 0 GHADMP CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000581997883 844132331 /nfs/dbraw/zinc/13/23/31/844132331.db2.gz HIJDKZVZQSGHIA-ZEQRLZLVSA-N 2 1 382.548 3.536 20 0 GHADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000513041055 844138470 /nfs/dbraw/zinc/13/84/70/844138470.db2.gz JLFYVSHPPALCAU-UTKZUKDTSA-N 2 1 384.593 3.921 20 0 GHADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000513041055 844138472 /nfs/dbraw/zinc/13/84/72/844138472.db2.gz JLFYVSHPPALCAU-UTKZUKDTSA-N 2 1 384.593 3.921 20 0 GHADMP C[N@H+](CCC(=O)Nc1ccccc1Br)CC[C@H]1CCCC[NH+]1C ZINC000173645225 836234624 /nfs/dbraw/zinc/23/46/24/836234624.db2.gz ZANSIHVDDBMFSO-OAHLLOKOSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1ccccc1Br)CC[C@H]1CCCC[N@@H+]1C ZINC000173645225 836234635 /nfs/dbraw/zinc/23/46/35/836234635.db2.gz ZANSIHVDDBMFSO-OAHLLOKOSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1ccccc1Br)CC[C@H]1CCCC[N@H+]1C ZINC000173645225 836234643 /nfs/dbraw/zinc/23/46/43/836234643.db2.gz ZANSIHVDDBMFSO-OAHLLOKOSA-N 2 1 382.346 3.584 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000180641328 836235573 /nfs/dbraw/zinc/23/55/73/836235573.db2.gz VETROZUYYWFJQB-QRWLVFNGSA-N 2 1 389.337 3.867 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000065932506 836268400 /nfs/dbraw/zinc/26/84/00/836268400.db2.gz QRTQMROFRVHPCV-LJQANCHMSA-N 2 1 383.536 3.881 20 0 GHADMP C[N@@H+](CCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCCCC1 ZINC000612579499 836438210 /nfs/dbraw/zinc/43/82/10/836438210.db2.gz KYMIUYAMFIXPEG-UHFFFAOYSA-N 2 1 392.632 3.939 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000613491458 836541151 /nfs/dbraw/zinc/54/11/51/836541151.db2.gz SJDGMURQMSRMKV-UPVQGACJSA-N 2 1 388.596 3.885 20 0 GHADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000120802827 836561419 /nfs/dbraw/zinc/56/14/19/836561419.db2.gz JHYNMXIDAOURIB-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000120802827 836561423 /nfs/dbraw/zinc/56/14/23/836561423.db2.gz JHYNMXIDAOURIB-LJQANCHMSA-N 2 1 384.520 3.714 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000414280157 836878930 /nfs/dbraw/zinc/87/89/30/836878930.db2.gz CDYZYTSWWYCNKS-INIZCTEOSA-N 2 1 392.590 3.816 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000431697689 836909927 /nfs/dbraw/zinc/90/99/27/836909927.db2.gz IWXRCRXWHXPRTG-UGKGYDQZSA-N 2 1 386.584 3.651 20 0 GHADMP COc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000119661660 836914124 /nfs/dbraw/zinc/91/41/24/836914124.db2.gz ORUKMFMJGFJRAS-QFIPXVFZSA-N 2 1 397.538 3.710 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476563 837002139 /nfs/dbraw/zinc/00/21/39/837002139.db2.gz JIQWRXYBZXMXOF-SFTDATJTSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476563 837002149 /nfs/dbraw/zinc/00/21/49/837002149.db2.gz JIQWRXYBZXMXOF-SFTDATJTSA-N 2 1 391.559 3.819 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000472476563 837002159 /nfs/dbraw/zinc/00/21/59/837002159.db2.gz JIQWRXYBZXMXOF-SFTDATJTSA-N 2 1 391.559 3.819 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000548982036 837175178 /nfs/dbraw/zinc/17/51/78/837175178.db2.gz OYNOXDSTAIIZAY-GOSISDBHSA-N 2 1 377.536 3.884 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000548982036 837175185 /nfs/dbraw/zinc/17/51/85/837175185.db2.gz OYNOXDSTAIIZAY-GOSISDBHSA-N 2 1 377.536 3.884 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)c1 ZINC000121261612 837193100 /nfs/dbraw/zinc/19/31/00/837193100.db2.gz WQLQCSOXCMHGLE-QFIPXVFZSA-N 2 1 390.474 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000414347298 837274954 /nfs/dbraw/zinc/27/49/54/837274954.db2.gz HIBYOZVJNNDQEU-QINHECLXSA-N 2 1 394.401 3.732 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1)C(C)C ZINC000110121075 844255208 /nfs/dbraw/zinc/25/52/08/844255208.db2.gz BZJBKXZVXSJITC-HSZRJFAPSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C(C)C ZINC000110121075 844255218 /nfs/dbraw/zinc/25/52/18/844255218.db2.gz BZJBKXZVXSJITC-HSZRJFAPSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C(C)C ZINC000110121075 844255222 /nfs/dbraw/zinc/25/52/22/844255222.db2.gz BZJBKXZVXSJITC-HSZRJFAPSA-N 2 1 379.548 3.921 20 0 GHADMP c1ccc2c(c1)C[C@@H]1C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCCN21 ZINC000685849685 837288454 /nfs/dbraw/zinc/28/84/54/837288454.db2.gz DVXWMENWULSFTP-HSZRJFAPSA-N 2 1 391.559 3.798 20 0 GHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000655774690 837846193 /nfs/dbraw/zinc/84/61/93/837846193.db2.gz DQOHLSTXCHIBJY-UHFFFAOYSA-N 2 1 393.535 3.504 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)CC1 ZINC000659863074 837895716 /nfs/dbraw/zinc/89/57/16/837895716.db2.gz GDZSOFYNOPOVRM-LEWJYISDSA-N 2 1 377.617 3.715 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187721033 837906554 /nfs/dbraw/zinc/90/65/54/837906554.db2.gz XNEZIVYDLHNAEP-GOSISDBHSA-N 2 1 380.598 3.985 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659323197 838287023 /nfs/dbraw/zinc/28/70/23/838287023.db2.gz DSJICPIAVJYCIJ-CVDCTZTESA-N 2 1 391.559 3.802 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000415935752 838289323 /nfs/dbraw/zinc/28/93/23/838289323.db2.gz VJKPJYFKBFIRJV-YADHBBJMSA-N 2 1 392.547 3.782 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000415936731 838290079 /nfs/dbraw/zinc/29/00/79/838290079.db2.gz VAAUUCBYOKWUSS-DEOSSOPVSA-N 2 1 392.547 3.926 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000415954525 838316032 /nfs/dbraw/zinc/31/60/32/838316032.db2.gz GYXYMMGJFWPUTP-FGZHOGPDSA-N 2 1 394.519 3.514 20 0 GHADMP [NH3+][C@H](CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000659383089 838346609 /nfs/dbraw/zinc/34/66/09/838346609.db2.gz UBRRAQAXXWOGMF-DHIUTWEWSA-N 2 1 391.559 3.885 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000782918323 838376642 /nfs/dbraw/zinc/37/66/42/838376642.db2.gz FJTPWQPHKPQYCN-UHFFFAOYSA-N 2 1 399.579 3.895 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275690985 838424591 /nfs/dbraw/zinc/42/45/91/838424591.db2.gz WYGSLIGUXHOHQP-FKVLARQCSA-N 2 1 382.552 3.766 20 0 GHADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275690985 838424600 /nfs/dbraw/zinc/42/46/00/838424600.db2.gz WYGSLIGUXHOHQP-FKVLARQCSA-N 2 1 382.552 3.766 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000416233113 838771420 /nfs/dbraw/zinc/77/14/20/838771420.db2.gz HUIJMAZRASWOAX-RBZQAINGSA-N 2 1 391.559 3.660 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000312141161 838918192 /nfs/dbraw/zinc/91/81/92/838918192.db2.gz FKJASUFWCUNMCW-WTGUMLROSA-N 2 1 379.589 3.875 20 0 GHADMP FC(F)(F)c1ccc(Cl)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415047076 839126502 /nfs/dbraw/zinc/12/65/02/839126502.db2.gz DPAAFAAJSMTTQV-UHFFFAOYSA-N 2 1 375.866 3.665 20 0 GHADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415102688 839209136 /nfs/dbraw/zinc/20/91/36/839209136.db2.gz CPNVOJCKZLRSLR-OAQYLSRUSA-N 2 1 391.519 3.558 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000415111971 839232856 /nfs/dbraw/zinc/23/28/56/839232856.db2.gz RQUHPUAGDVARPR-IAGOWNOFSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)c(Cl)s3)CC2)C1 ZINC000415126784 839237397 /nfs/dbraw/zinc/23/73/97/839237397.db2.gz QDBYEFLSENBKBE-FZMZJTMJSA-N 2 1 393.778 3.882 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309710160 839421854 /nfs/dbraw/zinc/42/18/54/839421854.db2.gz IZQGQXRZOGYJSU-SFTDATJTSA-N 2 1 387.568 3.888 20 0 GHADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000622751916 839421973 /nfs/dbraw/zinc/42/19/73/839421973.db2.gz PIQZZIGGZQVTFB-FPOVZHCZSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000622751916 839421982 /nfs/dbraw/zinc/42/19/82/839421982.db2.gz PIQZZIGGZQVTFB-FPOVZHCZSA-N 2 1 387.543 3.561 20 0 GHADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000622751916 839421990 /nfs/dbraw/zinc/42/19/90/839421990.db2.gz PIQZZIGGZQVTFB-FPOVZHCZSA-N 2 1 387.543 3.561 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@](C)(c4ccc(C)cc4)C3)CC2)CC1 ZINC000580447220 839573218 /nfs/dbraw/zinc/57/32/18/839573218.db2.gz BQOKEQJJOZMMOM-VWLOTQADSA-N 2 1 397.607 3.681 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000580641264 839946606 /nfs/dbraw/zinc/94/66/06/839946606.db2.gz MQGDIKDSZDUUDU-NNMXDRDESA-N 2 1 388.577 3.723 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000580641264 839946617 /nfs/dbraw/zinc/94/66/17/839946617.db2.gz MQGDIKDSZDUUDU-NNMXDRDESA-N 2 1 388.577 3.723 20 0 GHADMP CCN(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418426283 840197553 /nfs/dbraw/zinc/19/75/53/840197553.db2.gz JGXHHVYBJPPLBH-NYVOZVTQSA-N 2 1 380.536 3.553 20 0 GHADMP CCN(C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418426282 840198057 /nfs/dbraw/zinc/19/80/57/840198057.db2.gz JGXHHVYBJPPLBH-COPCDDAFSA-N 2 1 380.536 3.553 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)c2)CC1 ZINC000458245043 844517176 /nfs/dbraw/zinc/51/71/76/844517176.db2.gz DZAXLGWTZGQTIW-XMMPIXPASA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000416972985 840329958 /nfs/dbraw/zinc/32/99/58/840329958.db2.gz TUTBLRALNDQYGH-XXBNENTESA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000416985527 840336864 /nfs/dbraw/zinc/33/68/64/840336864.db2.gz YOALPOSSTSJHPI-FQEVSTJZSA-N 2 1 394.563 3.732 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000416991847 840348744 /nfs/dbraw/zinc/34/87/44/840348744.db2.gz DCJVPDWUFHCFIH-USSLWURLSA-N 2 1 398.595 3.589 20 0 GHADMP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000500410059 840404073 /nfs/dbraw/zinc/40/40/73/840404073.db2.gz OHJBYONTADUAEU-REWPJTCUSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417049793 840409697 /nfs/dbraw/zinc/40/96/97/840409697.db2.gz VEDXACRGGZMZIX-GCJKJVERSA-N 2 1 382.552 3.651 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000580907835 840410884 /nfs/dbraw/zinc/41/08/84/840410884.db2.gz XKACGDVBHKIYJP-HZPDHXFCSA-N 2 1 385.474 3.904 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1)CC2 ZINC000473018589 840421253 /nfs/dbraw/zinc/42/12/53/840421253.db2.gz BBMNRBWWOAMICM-NNWRFLSQSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000473018589 840421261 /nfs/dbraw/zinc/42/12/61/840421261.db2.gz BBMNRBWWOAMICM-NNWRFLSQSA-N 2 1 386.584 3.554 20 0 GHADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000473018589 840421266 /nfs/dbraw/zinc/42/12/66/840421266.db2.gz BBMNRBWWOAMICM-NNWRFLSQSA-N 2 1 386.584 3.554 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000195201237 840426242 /nfs/dbraw/zinc/42/62/42/840426242.db2.gz LUMSZYSAYJQLFP-QFIPXVFZSA-N 2 1 375.557 3.875 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920890 840434372 /nfs/dbraw/zinc/43/43/72/840434372.db2.gz RISKWBISRZPTRH-VXKWHMMOSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920890 840434376 /nfs/dbraw/zinc/43/43/76/840434376.db2.gz RISKWBISRZPTRH-VXKWHMMOSA-N 2 1 388.515 3.733 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@@H]3C2)cc1 ZINC000580920890 840434380 /nfs/dbraw/zinc/43/43/80/840434380.db2.gz RISKWBISRZPTRH-VXKWHMMOSA-N 2 1 388.515 3.733 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)cc2)C[C@H](C)O1 ZINC000684112283 840439812 /nfs/dbraw/zinc/43/98/12/840439812.db2.gz NPXFRKWKDDYAJL-JFSTXAPLSA-N 2 1 396.579 3.845 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]C/C=C/c2ccc(F)c(F)c2)c2cccs2)CC1 ZINC000581027494 840603656 /nfs/dbraw/zinc/60/36/56/840603656.db2.gz SQTHSYDKJAQHIS-GVTIMSHASA-N 2 1 377.504 3.618 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581208224 840851156 /nfs/dbraw/zinc/85/11/56/840851156.db2.gz KFFFKALONPOIBW-IEBWSBKVSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581208224 840851168 /nfs/dbraw/zinc/85/11/68/840851168.db2.gz KFFFKALONPOIBW-IEBWSBKVSA-N 2 1 385.939 3.713 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4ccc(O)cc43)CC2)CC1 ZINC000584849210 841067819 /nfs/dbraw/zinc/06/78/19/841067819.db2.gz GDCZUBZBZLKTER-UHFFFAOYSA-N 2 1 381.520 3.680 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N(CCC[NH3+])CC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417834560 841217100 /nfs/dbraw/zinc/21/71/00/841217100.db2.gz KGKKLKVHYCXEOE-DENIHFKCSA-N 2 1 386.584 3.590 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccnc2ccccc21 ZINC000364201208 841366164 /nfs/dbraw/zinc/36/61/64/841366164.db2.gz AFGKDUFJRNSMNT-UHFFFAOYSA-N 2 1 394.563 3.503 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500068798 841373200 /nfs/dbraw/zinc/37/32/00/841373200.db2.gz VBTMDQTWTFKZFQ-LADGPHEKSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500068798 841373213 /nfs/dbraw/zinc/37/32/13/841373213.db2.gz VBTMDQTWTFKZFQ-LADGPHEKSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500068798 841373227 /nfs/dbraw/zinc/37/32/27/841373227.db2.gz VBTMDQTWTFKZFQ-LADGPHEKSA-N 2 1 383.580 3.766 20 0 GHADMP COCCC[C@@H]([NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)c1ccc(F)cc1 ZINC000282419783 861223726 /nfs/dbraw/zinc/22/37/26/861223726.db2.gz SOTOOAGGYZFQSG-OAQYLSRUSA-N 2 1 386.515 3.959 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)cc2)n1 ZINC000647170331 841878210 /nfs/dbraw/zinc/87/82/10/841878210.db2.gz WCFOVLQEHXUTKF-QHCPKHFHSA-N 2 1 387.531 3.613 20 0 GHADMP c1ncn(Cc2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)cc2)n1 ZINC000647170331 841878225 /nfs/dbraw/zinc/87/82/25/841878225.db2.gz WCFOVLQEHXUTKF-QHCPKHFHSA-N 2 1 387.531 3.613 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000390557216 841885043 /nfs/dbraw/zinc/88/50/43/841885043.db2.gz LTOVUYWFHWMZLR-IBGZPJMESA-N 2 1 383.502 3.903 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000390557216 841885054 /nfs/dbraw/zinc/88/50/54/841885054.db2.gz LTOVUYWFHWMZLR-IBGZPJMESA-N 2 1 383.502 3.903 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576925 841907107 /nfs/dbraw/zinc/90/71/07/841907107.db2.gz RTUHTSLOXATBMD-UHFFFAOYSA-N 2 1 377.330 3.556 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185738909 861249564 /nfs/dbraw/zinc/24/95/64/861249564.db2.gz LYLHXXUQURKLLR-PCCBWWKXSA-N 2 1 396.579 3.873 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185738909 861249577 /nfs/dbraw/zinc/24/95/77/861249577.db2.gz LYLHXXUQURKLLR-PCCBWWKXSA-N 2 1 396.579 3.873 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185738909 861249592 /nfs/dbraw/zinc/24/95/92/861249592.db2.gz LYLHXXUQURKLLR-PCCBWWKXSA-N 2 1 396.579 3.873 20 0 GHADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc3nc(C)sc3c2)cc1F ZINC000656790209 841924473 /nfs/dbraw/zinc/92/44/73/841924473.db2.gz RGZQACYMFDJLEN-LPHOPBHVSA-N 2 1 385.508 3.988 20 0 GHADMP O[C@]1(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000652153540 842014062 /nfs/dbraw/zinc/01/40/62/842014062.db2.gz LUSUPEKOUYNZHB-RPWUZVMVSA-N 2 1 379.548 3.930 20 0 GHADMP O[C@]1(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000652153540 842014073 /nfs/dbraw/zinc/01/40/73/842014073.db2.gz LUSUPEKOUYNZHB-RPWUZVMVSA-N 2 1 379.548 3.930 20 0 GHADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131222506 861268261 /nfs/dbraw/zinc/26/82/61/861268261.db2.gz NTTYJPHQIOLDAI-UNMCSNQZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000661856397 842243757 /nfs/dbraw/zinc/24/37/57/842243757.db2.gz SQJIYRUOHLTZEL-LJQANCHMSA-N 2 1 399.583 3.515 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncc(-c4ccc(Cl)cc4)o3)C2)C1 ZINC000652347317 842325705 /nfs/dbraw/zinc/32/57/05/842325705.db2.gz YNUGXQVCRQIQPC-KBAYOESNSA-N 2 1 375.900 3.713 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001167839597 842349486 /nfs/dbraw/zinc/34/94/86/842349486.db2.gz ANRSLFSCXOWQBN-UYAOXDASSA-N 2 1 380.598 3.780 20 0 GHADMP COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)c1OC ZINC000652354841 842353556 /nfs/dbraw/zinc/35/35/56/842353556.db2.gz JQNHMAWJJBUPDD-WMLDXEAASA-N 2 1 375.538 3.777 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cs2)c1OC ZINC000652354841 842353566 /nfs/dbraw/zinc/35/35/66/842353566.db2.gz JQNHMAWJJBUPDD-WMLDXEAASA-N 2 1 375.538 3.777 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H]1CC[NH3+] ZINC000652355946 842355149 /nfs/dbraw/zinc/35/51/49/842355149.db2.gz NTHUWQPSQTXODY-KDOFPFPSSA-N 2 1 389.341 3.855 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000891597516 842399692 /nfs/dbraw/zinc/39/96/92/842399692.db2.gz RMQWXNLMVDAMAB-BLIXFSHQSA-N 2 1 392.613 3.538 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CCCO1 ZINC000432426740 842455154 /nfs/dbraw/zinc/45/51/54/842455154.db2.gz USJLNUKUFRZBKJ-KXBFYZLASA-N 2 1 381.358 3.991 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000063464493 842484716 /nfs/dbraw/zinc/48/47/16/842484716.db2.gz PGEWNRPTZSTHOQ-GMAHTHKFSA-N 2 1 394.563 3.501 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1=CC[NH+](C)CC1 ZINC000510486769 842533130 /nfs/dbraw/zinc/53/31/30/842533130.db2.gz AVYLYRDVYGQPOD-RBUKOAKNSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)C1=CC[N@H+](C)CC1 ZINC000510486769 842533135 /nfs/dbraw/zinc/53/31/35/842533135.db2.gz AVYLYRDVYGQPOD-RBUKOAKNSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)C1=CC[N@@H+](C)CC1 ZINC000510486769 842533146 /nfs/dbraw/zinc/53/31/46/842533146.db2.gz AVYLYRDVYGQPOD-RBUKOAKNSA-N 2 1 384.568 3.511 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246826701 842648443 /nfs/dbraw/zinc/64/84/43/842648443.db2.gz BKCTVKKASHSEDS-HUUCEWRRSA-N 2 1 387.446 3.624 20 0 GHADMP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000279166412 842670280 /nfs/dbraw/zinc/67/02/80/842670280.db2.gz BCKOKXLMZJOVNU-UHFFFAOYSA-N 2 1 391.519 3.998 20 0 GHADMP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000891726338 842758987 /nfs/dbraw/zinc/75/89/87/842758987.db2.gz KOWIQVNJGCIGLP-VQIMIIECSA-N 2 1 398.954 3.632 20 0 GHADMP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000891726329 842759337 /nfs/dbraw/zinc/75/93/37/842759337.db2.gz KOWIQVNJGCIGLP-APWZRJJASA-N 2 1 398.954 3.632 20 0 GHADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cccc21 ZINC000581953413 842799756 /nfs/dbraw/zinc/79/97/56/842799756.db2.gz OBMRJBDSQWENJL-WIYYLYMNSA-N 2 1 379.504 3.532 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000178340378 861355532 /nfs/dbraw/zinc/35/55/32/861355532.db2.gz JCDQHBFVMNNBFA-QGZVFWFLSA-N 2 1 395.613 3.631 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOC(c2ccccc2)c2ccccc2)CCO1 ZINC000662315228 843128276 /nfs/dbraw/zinc/12/82/76/843128276.db2.gz CVGBXXYLLBXNHD-HSZRJFAPSA-N 2 1 382.548 3.835 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)CCO1 ZINC000662315228 843128282 /nfs/dbraw/zinc/12/82/82/843128282.db2.gz CVGBXXYLLBXNHD-HSZRJFAPSA-N 2 1 382.548 3.835 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CCC[NH3+] ZINC000662313309 843133586 /nfs/dbraw/zinc/13/35/86/843133586.db2.gz KGOUMVBQNLTFQU-RHSMWYFYSA-N 2 1 382.346 3.617 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3ccc(Br)cc32)C[C@H](C)O1 ZINC000510674715 843171299 /nfs/dbraw/zinc/17/12/99/843171299.db2.gz JPXJSLRPQVPYHR-KHYOSLBOSA-N 2 1 381.358 3.915 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000662387531 843183849 /nfs/dbraw/zinc/18/38/49/843183849.db2.gz HZSLJVMSEJIZLM-INIZCTEOSA-N 2 1 382.508 3.768 20 0 GHADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247203 843209928 /nfs/dbraw/zinc/20/99/28/843209928.db2.gz YXMUXWZUDOHTJW-DEOSSOPVSA-N 2 1 383.580 3.671 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247203 843209940 /nfs/dbraw/zinc/20/99/40/843209940.db2.gz YXMUXWZUDOHTJW-DEOSSOPVSA-N 2 1 383.580 3.671 20 0 GHADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NCC1CCCCC1 ZINC000512247203 843209947 /nfs/dbraw/zinc/20/99/47/843209947.db2.gz YXMUXWZUDOHTJW-DEOSSOPVSA-N 2 1 383.580 3.671 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1OCc1ccncc1 ZINC000663347250 843268795 /nfs/dbraw/zinc/26/87/95/843268795.db2.gz IBSJVQOKKDRISM-JOCHJYFZSA-N 2 1 395.547 3.881 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548414021 843306168 /nfs/dbraw/zinc/30/61/68/843306168.db2.gz ZBMDRMOTKRTJCH-FQEVSTJZSA-N 2 1 397.588 3.986 20 0 GHADMP Cc1cc(C(F)(F)F)cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000663788723 843315373 /nfs/dbraw/zinc/31/53/73/843315373.db2.gz TUGIXJIIKVIAFK-GOSISDBHSA-N 2 1 379.426 3.978 20 0 GHADMP Cc1cc(C(F)(F)F)cc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000663788723 843315375 /nfs/dbraw/zinc/31/53/75/843315375.db2.gz TUGIXJIIKVIAFK-GOSISDBHSA-N 2 1 379.426 3.978 20 0 GHADMP C[NH2+][C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1Cl ZINC000662491811 843331545 /nfs/dbraw/zinc/33/15/45/843331545.db2.gz ZIYODAMZBITJJT-SFHVURJKSA-N 2 1 384.351 3.777 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000165312286 843362277 /nfs/dbraw/zinc/36/22/77/843362277.db2.gz LTDKXZOINONAHN-CTNGQTDRSA-N 2 1 393.531 3.858 20 0 GHADMP [NH3+][C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Br ZINC000662525489 843382588 /nfs/dbraw/zinc/38/25/88/843382588.db2.gz SNCXWZIIBVUZSP-SFHVURJKSA-N 2 1 388.309 3.683 20 0 GHADMP [NH3+][C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Br ZINC000662525488 843383010 /nfs/dbraw/zinc/38/30/10/843383010.db2.gz SNCXWZIIBVUZSP-GOSISDBHSA-N 2 1 388.309 3.683 20 0 GHADMP COc1ccccc1[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000431044425 843500175 /nfs/dbraw/zinc/50/01/75/843500175.db2.gz WKRHQSKSBYLCPI-QHCPKHFHSA-N 2 1 395.547 3.776 20 0 GHADMP COc1ccccc1[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000431044425 843500181 /nfs/dbraw/zinc/50/01/81/843500181.db2.gz WKRHQSKSBYLCPI-QHCPKHFHSA-N 2 1 395.547 3.776 20 0 GHADMP CCC[N@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431067954 843533774 /nfs/dbraw/zinc/53/37/74/843533774.db2.gz ALSZQCYGEBBQIB-XMMPIXPASA-N 2 1 397.538 3.838 20 0 GHADMP CCC[N@@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431067954 843533779 /nfs/dbraw/zinc/53/37/79/843533779.db2.gz ALSZQCYGEBBQIB-XMMPIXPASA-N 2 1 397.538 3.838 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1(C)C ZINC000549611738 843587263 /nfs/dbraw/zinc/58/72/63/843587263.db2.gz XNCOYECABXPHOG-IBGZPJMESA-N 2 1 394.401 3.832 20 0 GHADMP CCC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431100589 843596573 /nfs/dbraw/zinc/59/65/73/843596573.db2.gz VVYHNKYOMAYHNU-QHCPKHFHSA-N 2 1 379.548 3.551 20 0 GHADMP CCC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431100589 843596578 /nfs/dbraw/zinc/59/65/78/843596578.db2.gz VVYHNKYOMAYHNU-QHCPKHFHSA-N 2 1 379.548 3.551 20 0 GHADMP CCCN(C(=O)NCCC[C@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418770410 843618290 /nfs/dbraw/zinc/61/82/90/843618290.db2.gz OICNXBPCVNCBBK-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)C[C@H](C)O1 ZINC000432739076 843625726 /nfs/dbraw/zinc/62/57/26/843625726.db2.gz OUTNIMDMPXPGSN-GASCZTMLSA-N 2 1 377.529 3.757 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4ccc(F)cc4s3)CC2)C[C@H](C)O1 ZINC000432739076 843625737 /nfs/dbraw/zinc/62/57/37/843625737.db2.gz OUTNIMDMPXPGSN-GASCZTMLSA-N 2 1 377.529 3.757 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001167822566 843731410 /nfs/dbraw/zinc/73/14/10/843731410.db2.gz IRLPMTJVZAXTLT-BJESRGMDSA-N 2 1 389.632 3.567 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001167822566 843731424 /nfs/dbraw/zinc/73/14/24/843731424.db2.gz IRLPMTJVZAXTLT-BJESRGMDSA-N 3 1 389.632 3.567 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001167822566 843731435 /nfs/dbraw/zinc/73/14/35/843731435.db2.gz IRLPMTJVZAXTLT-BJESRGMDSA-N 3 1 389.632 3.567 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001167822566 843731443 /nfs/dbraw/zinc/73/14/43/843731443.db2.gz IRLPMTJVZAXTLT-BJESRGMDSA-N 3 1 389.632 3.567 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001167822566 843731453 /nfs/dbraw/zinc/73/14/53/843731453.db2.gz IRLPMTJVZAXTLT-BJESRGMDSA-N 3 1 389.632 3.567 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000051532494 843936739 /nfs/dbraw/zinc/93/67/39/843936739.db2.gz KROISJOFDTTXOW-UHFFFAOYSA-N 2 1 399.966 3.861 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000051532494 843936745 /nfs/dbraw/zinc/93/67/45/843936745.db2.gz KROISJOFDTTXOW-UHFFFAOYSA-N 2 1 399.966 3.861 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000509762354 843971959 /nfs/dbraw/zinc/97/19/59/843971959.db2.gz MQENJPNVVOZGEZ-HJNYFJLDSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000509762354 843971961 /nfs/dbraw/zinc/97/19/61/843971961.db2.gz MQENJPNVVOZGEZ-HJNYFJLDSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000509762354 843971964 /nfs/dbraw/zinc/97/19/64/843971964.db2.gz MQENJPNVVOZGEZ-HJNYFJLDSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000512489885 843999341 /nfs/dbraw/zinc/99/93/41/843999341.db2.gz UCPDUPLSRNHMSO-RCJHGTSTSA-N 2 1 397.485 3.657 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000512489885 843999346 /nfs/dbraw/zinc/99/93/46/843999346.db2.gz UCPDUPLSRNHMSO-RCJHGTSTSA-N 2 1 397.485 3.657 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000512489885 843999352 /nfs/dbraw/zinc/99/93/52/843999352.db2.gz UCPDUPLSRNHMSO-RCJHGTSTSA-N 2 1 397.485 3.657 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000056812992 844678112 /nfs/dbraw/zinc/67/81/12/844678112.db2.gz IGIANVHTVPFQGP-UHFFFAOYSA-N 2 1 388.600 3.790 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C)O1 ZINC000067121182 844785294 /nfs/dbraw/zinc/78/52/94/844785294.db2.gz YWOYCONJSFBKGO-OKILXGFUSA-N 2 1 376.875 3.920 20 0 GHADMP c1ncn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)n1 ZINC000512626308 844805155 /nfs/dbraw/zinc/80/51/55/844805155.db2.gz TUSCCMDOZCYPKP-QPTUXGOLSA-N 2 1 387.531 3.658 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1F ZINC000246640407 844868133 /nfs/dbraw/zinc/86/81/33/844868133.db2.gz XBUJWUVIFVWLOU-MAUKXSAKSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1F ZINC000246640407 844868141 /nfs/dbraw/zinc/86/81/41/844868141.db2.gz XBUJWUVIFVWLOU-MAUKXSAKSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000468993345 844897523 /nfs/dbraw/zinc/89/75/23/844897523.db2.gz MVRBGEOZOKMZNV-HZPDHXFCSA-N 2 1 379.346 3.534 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)c1 ZINC000513399633 845368285 /nfs/dbraw/zinc/36/82/85/845368285.db2.gz PENHEKTWHZDWCX-NRFANRHFSA-N 2 1 390.474 3.699 20 0 GHADMP C[C@@H]1C[C@H](N(C)[C@H]2CCC3(C[C@@H]2F)OCCO3)CC[N@@H+]1Cc1ccccc1 ZINC000892006853 845394649 /nfs/dbraw/zinc/39/46/49/845394649.db2.gz CPTWQXIZWOYRLA-PBASOCQRSA-N 2 1 376.516 3.605 20 0 GHADMP C[C@@H]1C[C@H](N(C)[C@H]2CCC3(C[C@@H]2F)OCCO3)CC[N@H+]1Cc1ccccc1 ZINC000892006853 845394659 /nfs/dbraw/zinc/39/46/59/845394659.db2.gz CPTWQXIZWOYRLA-PBASOCQRSA-N 2 1 376.516 3.605 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000248661944 845402797 /nfs/dbraw/zinc/40/27/97/845402797.db2.gz GBUJSVCFNFCPLT-LQBOVUBWSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000248661944 845402808 /nfs/dbraw/zinc/40/28/08/845402808.db2.gz GBUJSVCFNFCPLT-LQBOVUBWSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000248661944 845402814 /nfs/dbraw/zinc/40/28/14/845402814.db2.gz GBUJSVCFNFCPLT-LQBOVUBWSA-N 2 1 377.573 3.582 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000513476131 845512521 /nfs/dbraw/zinc/51/25/21/845512521.db2.gz OQYJFSKTKKREIX-FQEVSTJZSA-N 2 1 379.548 3.875 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000513476131 845512527 /nfs/dbraw/zinc/51/25/27/845512527.db2.gz OQYJFSKTKKREIX-FQEVSTJZSA-N 2 1 379.548 3.875 20 0 GHADMP CC(C)C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000509931406 845599038 /nfs/dbraw/zinc/59/90/38/845599038.db2.gz RPRBBINUNYVVOD-AZUAARDMSA-N 2 1 399.501 3.534 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000511045727 845898263 /nfs/dbraw/zinc/89/82/63/845898263.db2.gz FDWZJJTUPPZIGC-OALUTQOASA-N 2 1 389.584 3.535 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000511045727 845898275 /nfs/dbraw/zinc/89/82/75/845898275.db2.gz FDWZJJTUPPZIGC-OALUTQOASA-N 2 1 389.584 3.535 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657314155 846066568 /nfs/dbraw/zinc/06/65/68/846066568.db2.gz SFSQBQNBUXGZTC-XMMPIXPASA-N 2 1 380.532 3.917 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000513683038 846239076 /nfs/dbraw/zinc/23/90/76/846239076.db2.gz FNNIDVZDWKVLTI-MVJPYGJCSA-N 2 1 392.385 3.738 20 0 GHADMP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000502648270 846313981 /nfs/dbraw/zinc/31/39/81/846313981.db2.gz MLURRNAVQPVOSN-QAJIEZEQSA-N 2 1 378.605 3.592 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000072085642 846390023 /nfs/dbraw/zinc/39/00/23/846390023.db2.gz GHWODLHNOKCIKO-HOTGVXAUSA-N 2 1 381.358 3.770 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1)C1CC1 ZINC000511081839 846438858 /nfs/dbraw/zinc/43/88/58/846438858.db2.gz XBOFEXHJXWEPSN-QFIPXVFZSA-N 2 1 383.511 3.843 20 0 GHADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(C(F)(F)F)nn3C)c2)CC1 ZINC000657348628 846441010 /nfs/dbraw/zinc/44/10/10/846441010.db2.gz BWIZWBBVVDFVIP-UHFFFAOYSA-N 2 1 380.458 3.961 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000673767209 861678679 /nfs/dbraw/zinc/67/86/79/861678679.db2.gz DEFMSBIQWPDDMQ-OFNKIYASSA-N 2 1 394.563 3.595 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]Cc3ccc(O[C@H]4CCOC4)cc3)C2)cc1 ZINC000657354142 846472970 /nfs/dbraw/zinc/47/29/70/846472970.db2.gz QSOZGJPCCATUKL-UPVQGACJSA-N 2 1 380.532 3.509 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054012 846604476 /nfs/dbraw/zinc/60/44/76/846604476.db2.gz PJYPQPQSFHTAMK-INIZCTEOSA-N 2 1 386.927 3.910 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C2CC2)c(F)c1 ZINC000421840989 846631543 /nfs/dbraw/zinc/63/15/43/846631543.db2.gz JJWTXDHGCUZKLS-CVDCTZTESA-N 2 1 384.495 3.642 20 0 GHADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000501113889 846660661 /nfs/dbraw/zinc/66/06/61/846660661.db2.gz OYCPRDMCNNPPAG-KZNAEPCWSA-N 2 1 381.511 3.839 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000657389190 846819412 /nfs/dbraw/zinc/81/94/12/846819412.db2.gz SVJZJKLKMQPQLM-ZFJSRUIDSA-N 2 1 380.532 3.997 20 0 GHADMP CCCCNc1ccccc1C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000422128637 846830898 /nfs/dbraw/zinc/83/08/98/846830898.db2.gz GJSOLMKYEITGBI-UHFFFAOYSA-N 2 1 386.584 3.531 20 0 GHADMP CCCCNc1ccccc1C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000422128637 846830904 /nfs/dbraw/zinc/83/09/04/846830904.db2.gz GJSOLMKYEITGBI-UHFFFAOYSA-N 2 1 386.584 3.531 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)cc2)CC1 ZINC000501416887 846902238 /nfs/dbraw/zinc/90/22/38/846902238.db2.gz FYGWRCSHZIFOQC-ISKFKSNPSA-N 2 1 378.564 3.645 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(F)ccc(Br)c2F)cc1 ZINC000501421906 846916813 /nfs/dbraw/zinc/91/68/13/846916813.db2.gz JTAIFPWLYKHJKF-UHFFFAOYSA-N 2 1 399.279 3.958 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168044585 861740355 /nfs/dbraw/zinc/74/03/55/861740355.db2.gz GAWSTQVOEVDRBV-CSPBNMCHSA-N 2 1 399.579 3.883 20 0 GHADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OC)c(OC)c1 ZINC000272717426 847154577 /nfs/dbraw/zinc/15/45/77/847154577.db2.gz DISVYXLTCLKVBQ-SFTDATJTSA-N 2 1 384.520 3.511 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000582420295 847191751 /nfs/dbraw/zinc/19/17/51/847191751.db2.gz LMATZIKSKAMQOK-CUNXSJBXSA-N 2 1 382.573 3.852 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000582420295 847191756 /nfs/dbraw/zinc/19/17/56/847191756.db2.gz LMATZIKSKAMQOK-CUNXSJBXSA-N 2 1 382.573 3.852 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000272933315 847211412 /nfs/dbraw/zinc/21/14/12/847211412.db2.gz ZWSKQTYZEOEOGS-PGRDOPGGSA-N 2 1 379.504 3.643 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccco1 ZINC000501840630 847273086 /nfs/dbraw/zinc/27/30/86/847273086.db2.gz LIOQGCXWMRWQHU-JRBPQWBISA-N 2 1 390.572 3.661 20 0 GHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC000126372356 847459790 /nfs/dbraw/zinc/45/97/90/847459790.db2.gz JAGFCVNTEMQBBU-OXQOHEQNSA-N 2 1 391.556 3.521 20 0 GHADMP c1cc(CN2CCOCC2)cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000420899152 847517493 /nfs/dbraw/zinc/51/74/93/847517493.db2.gz DYDNAQRTUHWKEB-XMMPIXPASA-N 2 1 385.596 3.607 20 0 GHADMP c1cc(CN2CCOCC2)cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000420899152 847517498 /nfs/dbraw/zinc/51/74/98/847517498.db2.gz DYDNAQRTUHWKEB-XMMPIXPASA-N 2 1 385.596 3.607 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000657468742 847623374 /nfs/dbraw/zinc/62/33/74/847623374.db2.gz BTSDRPKPXNKROI-KRWDZBQOSA-N 2 1 380.458 3.831 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000657468742 847623378 /nfs/dbraw/zinc/62/33/78/847623378.db2.gz BTSDRPKPXNKROI-KRWDZBQOSA-N 2 1 380.458 3.831 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503392794 847656562 /nfs/dbraw/zinc/65/65/62/847656562.db2.gz QIJAQTWIXAVPFX-BHIFYINESA-N 2 1 392.632 3.652 20 0 GHADMP C[C@H](NC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758350 847801598 /nfs/dbraw/zinc/80/15/98/847801598.db2.gz IWASEHATMLTYBF-KZKAQZJJSA-N 2 1 385.596 3.787 20 0 GHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000422805206 847830766 /nfs/dbraw/zinc/83/07/66/847830766.db2.gz ITDWASJRCVGRAI-UPVQGACJSA-N 2 1 377.532 3.628 20 0 GHADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](N)c4ccccc43)CC2)c1 ZINC000422805472 847831203 /nfs/dbraw/zinc/83/12/03/847831203.db2.gz GZLLJHZQBJPYLM-DNQXCXABSA-N 2 1 378.564 3.632 20 0 GHADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc(Br)c1OC ZINC000422937442 847898069 /nfs/dbraw/zinc/89/80/69/847898069.db2.gz CKRKOKVAQOGJPD-GUYCJALGSA-N 2 1 393.325 3.514 20 0 GHADMP COc1ccc([C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422962522 847905068 /nfs/dbraw/zinc/90/50/68/847905068.db2.gz FYYBVPOMQRQVIU-XJUOHMSHSA-N 2 1 383.536 3.898 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422976223 847924799 /nfs/dbraw/zinc/92/47/99/847924799.db2.gz URTAZEQTCYVGCE-CYFREDJKSA-N 2 1 386.543 3.692 20 0 GHADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423084208 847971584 /nfs/dbraw/zinc/97/15/84/847971584.db2.gz HSDNBBONTUTJPI-HIFRSBDPSA-N 2 1 392.487 3.509 20 0 GHADMP Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)s2)cc1 ZINC000657594342 848284277 /nfs/dbraw/zinc/28/42/77/848284277.db2.gz IPQVLZKGRWXPDD-OAQYLSRUSA-N 2 1 393.556 3.975 20 0 GHADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccc(F)cc4)n3)cc2)C1 ZINC000657594287 848284446 /nfs/dbraw/zinc/28/44/46/848284446.db2.gz IAQRMIHQHJCZBX-OAQYLSRUSA-N 2 1 397.519 3.806 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccc(F)cc4)n3)cc2)C1 ZINC000657594287 848284456 /nfs/dbraw/zinc/28/44/56/848284456.db2.gz IAQRMIHQHJCZBX-OAQYLSRUSA-N 2 1 397.519 3.806 20 0 GHADMP CC(C)CCOc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593805 848285382 /nfs/dbraw/zinc/28/53/82/848285382.db2.gz KZSKKQGELDWHDL-QHCPKHFHSA-N 2 1 382.548 3.968 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)cc2)C1 ZINC000657595807 848291714 /nfs/dbraw/zinc/29/17/14/848291714.db2.gz KEOKIULDJRCNOS-IBGZPJMESA-N 2 1 382.401 3.701 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000604171001 861923136 /nfs/dbraw/zinc/92/31/36/861923136.db2.gz HVKIGDZJZLEGCJ-URVUXULASA-N 2 1 386.584 3.776 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000600426350 861923781 /nfs/dbraw/zinc/92/37/81/861923781.db2.gz BCMZWRYUJMLVEI-HXUWFJFHSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000731865311 861937490 /nfs/dbraw/zinc/93/74/90/861937490.db2.gz NLPJSNVVCWZVRF-UHFFFAOYSA-N 2 1 379.976 3.933 20 0 GHADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1cccc(F)c1 ZINC000582993827 848843509 /nfs/dbraw/zinc/84/35/09/848843509.db2.gz ZBBCXGJVURCLCP-PMACEKPBSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1cccc(F)c1 ZINC000582993827 848843515 /nfs/dbraw/zinc/84/35/15/848843515.db2.gz ZBBCXGJVURCLCP-PMACEKPBSA-N 2 1 381.495 3.608 20 0 GHADMP [NH3+]Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)cc1 ZINC000238063799 848948209 /nfs/dbraw/zinc/94/82/09/848948209.db2.gz BMAKCGDNDJVKEG-UHFFFAOYSA-N 2 1 377.532 3.806 20 0 GHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000481658571 861964708 /nfs/dbraw/zinc/96/47/08/861964708.db2.gz NSMJBTBLUZPEDN-LAUBAEHRSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000481658571 861964714 /nfs/dbraw/zinc/96/47/14/861964714.db2.gz NSMJBTBLUZPEDN-LAUBAEHRSA-N 2 1 392.465 3.863 20 0 GHADMP CCC(CC)(CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH2+][C@@H](C)c1ccccc1 ZINC000458382292 849056873 /nfs/dbraw/zinc/05/68/73/849056873.db2.gz XTILUFXTSWZEFM-XSLAUPDRSA-N 2 1 386.584 3.820 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCC3(CCC[N@@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001279609154 849224496 /nfs/dbraw/zinc/22/44/96/849224496.db2.gz ITLKBCGQMVUWPO-UHFFFAOYSA-N 3 1 375.523 3.849 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125756380 849579619 /nfs/dbraw/zinc/57/96/19/849579619.db2.gz SCAWSHUDMMVXBL-INIZCTEOSA-N 2 1 383.517 3.576 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(I)c(Cl)c1 ZINC000503912911 849773106 /nfs/dbraw/zinc/77/31/06/849773106.db2.gz TXPFQJQXALOYIV-JRPNMDOOSA-N 2 1 392.712 3.763 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503912911 849773116 /nfs/dbraw/zinc/77/31/16/849773116.db2.gz TXPFQJQXALOYIV-JRPNMDOOSA-N 2 1 392.712 3.763 20 0 GHADMP Brc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180602 849788817 /nfs/dbraw/zinc/78/88/17/849788817.db2.gz BGXKYSRWBRBFEL-SFHVURJKSA-N 2 1 390.325 3.827 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000522560420 862066228 /nfs/dbraw/zinc/06/62/28/862066228.db2.gz LQYNRKVKFRVEJZ-HSALFYBXSA-N 2 1 386.584 3.774 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)C1 ZINC000414737231 849881615 /nfs/dbraw/zinc/88/16/15/849881615.db2.gz AHKXUWITXYJZDH-VGSWGCGISA-N 2 1 397.950 3.637 20 0 GHADMP Fc1cccc(Cl)c1C[NH+]1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423533616 849960173 /nfs/dbraw/zinc/96/01/73/849960173.db2.gz UCSDCLXODGIKKO-PGRDOPGGSA-N 2 1 387.930 3.789 20 0 GHADMP Brc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510817 849960364 /nfs/dbraw/zinc/96/03/64/849960364.db2.gz OGCROEDRIMSKQZ-AFMYVXGZSA-N 2 1 392.385 3.633 20 0 GHADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000414760974 850059089 /nfs/dbraw/zinc/05/90/89/850059089.db2.gz ZNQOBJMOVVQAGR-VQIMIIECSA-N 2 1 397.485 3.820 20 0 GHADMP C[C@H]1CC2(C[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1)CC[NH2+]CC2 ZINC000424283346 850353684 /nfs/dbraw/zinc/35/36/84/850353684.db2.gz BLTRSARUIPQBDV-FQEVSTJZSA-N 2 1 391.559 3.746 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+][C@@H]3CCCC[C@H]3[NH3+])s2)cc1OC ZINC000424369102 850409926 /nfs/dbraw/zinc/40/99/26/850409926.db2.gz BCYBZGUYELOXQM-KBRIMQKVSA-N 2 1 389.565 3.980 20 0 GHADMP Brc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000414784384 850412446 /nfs/dbraw/zinc/41/24/46/850412446.db2.gz HXOHDQRBQDNAJL-UHFFFAOYSA-N 2 1 375.310 3.870 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000514872404 850415221 /nfs/dbraw/zinc/41/52/21/850415221.db2.gz ZIJMMYYPLRPDOC-QDSKXPNFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000514872404 850415225 /nfs/dbraw/zinc/41/52/25/850415225.db2.gz ZIJMMYYPLRPDOC-QDSKXPNFSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514872404 850415228 /nfs/dbraw/zinc/41/52/28/850415228.db2.gz ZIJMMYYPLRPDOC-QDSKXPNFSA-N 2 1 391.559 3.535 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000481724023 862130369 /nfs/dbraw/zinc/13/03/69/862130369.db2.gz LVCBBDHBWHLJKR-OEMFJLHTSA-N 2 1 387.612 3.859 20 0 GHADMP Cc1nn2c(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)c(C)nc2s1 ZINC000435428320 850512699 /nfs/dbraw/zinc/51/26/99/850512699.db2.gz ROPWWHIYHIITIX-KRWDZBQOSA-N 2 1 387.578 3.613 20 0 GHADMP Cc1nn2c(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)c(C)nc2s1 ZINC000435428320 850512703 /nfs/dbraw/zinc/51/27/03/850512703.db2.gz ROPWWHIYHIITIX-KRWDZBQOSA-N 2 1 387.578 3.613 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000487178987 850542330 /nfs/dbraw/zinc/54/23/30/850542330.db2.gz HQMPCECBTBIRHC-HNNXBMFYSA-N 2 1 396.457 3.686 20 0 GHADMP CCn1ccnc1C[N@H+](CCc1c(F)cccc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000435679637 850744351 /nfs/dbraw/zinc/74/43/51/850744351.db2.gz AZRDMWLBWHNAOY-IBGZPJMESA-N 2 1 390.934 3.882 20 0 GHADMP CCn1ccnc1C[N@@H+](CCc1c(F)cccc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000435679637 850744359 /nfs/dbraw/zinc/74/43/59/850744359.db2.gz AZRDMWLBWHNAOY-IBGZPJMESA-N 2 1 390.934 3.882 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505299050 850799176 /nfs/dbraw/zinc/79/91/76/850799176.db2.gz VDHANRYUEMILTM-QHCPKHFHSA-N 2 1 383.580 3.766 20 0 GHADMP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000440201377 850910604 /nfs/dbraw/zinc/91/06/04/850910604.db2.gz ITEJZCJFXUOKKH-BGYRXZFFSA-N 2 1 388.600 3.646 20 0 GHADMP Clc1cccc(Cl)c1OCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513820358 850912088 /nfs/dbraw/zinc/91/20/88/850912088.db2.gz NWXIRYCNEORTDC-UHFFFAOYSA-N 2 1 387.351 3.807 20 0 GHADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513822142 850915774 /nfs/dbraw/zinc/91/57/74/850915774.db2.gz XCADLYCWYUPRIX-IBGZPJMESA-N 2 1 387.568 3.571 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000487927964 850997163 /nfs/dbraw/zinc/99/71/63/850997163.db2.gz GVXIKQUJUYDSAE-QHCPKHFHSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000519399393 851005316 /nfs/dbraw/zinc/00/53/16/851005316.db2.gz LMOLSUHYPQKKSL-YYDVJCTNSA-N 2 1 395.547 3.506 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)cc2)C[C@H](C)O1 ZINC000519399393 851005328 /nfs/dbraw/zinc/00/53/28/851005328.db2.gz LMOLSUHYPQKKSL-YYDVJCTNSA-N 2 1 395.547 3.506 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000488102736 851154105 /nfs/dbraw/zinc/15/41/05/851154105.db2.gz HNXXXSUQSIUBTH-XMMPIXPASA-N 2 1 398.595 3.688 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)C1CCCCC1 ZINC000488102736 851154108 /nfs/dbraw/zinc/15/41/08/851154108.db2.gz HNXXXSUQSIUBTH-XMMPIXPASA-N 2 1 398.595 3.688 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CCCCC1 ZINC000488102736 851154111 /nfs/dbraw/zinc/15/41/11/851154111.db2.gz HNXXXSUQSIUBTH-XMMPIXPASA-N 2 1 398.595 3.688 20 0 GHADMP C[N@@H+](CCC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000515579896 851217473 /nfs/dbraw/zinc/21/74/73/851217473.db2.gz GUVGQYWHYQXFHY-FCHUYYIVSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000515579896 851217486 /nfs/dbraw/zinc/21/74/86/851217486.db2.gz GUVGQYWHYQXFHY-FCHUYYIVSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000515579896 851217497 /nfs/dbraw/zinc/21/74/97/851217497.db2.gz GUVGQYWHYQXFHY-FCHUYYIVSA-N 2 1 383.580 3.622 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000514106293 851244807 /nfs/dbraw/zinc/24/48/07/851244807.db2.gz XHXWDOCQLMUPNL-KRWDZBQOSA-N 2 1 379.504 3.641 20 0 GHADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)c2)cc1 ZINC000514097079 851258888 /nfs/dbraw/zinc/25/88/88/851258888.db2.gz ZTQBFCQTHGGAJJ-SMIHKQSGSA-N 2 1 391.559 3.887 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000488276078 851357652 /nfs/dbraw/zinc/35/76/52/851357652.db2.gz AEWNGLPGHIKSLI-CQSZACIVSA-N 2 1 392.544 3.816 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000488345733 851412388 /nfs/dbraw/zinc/41/23/88/851412388.db2.gz IFEAFIOLFBZVHT-RMGXSAEISA-N 2 1 389.971 3.568 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000488345733 851412396 /nfs/dbraw/zinc/41/23/96/851412396.db2.gz IFEAFIOLFBZVHT-RMGXSAEISA-N 2 1 389.971 3.568 20 0 GHADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000488345733 851412402 /nfs/dbraw/zinc/41/24/02/851412402.db2.gz IFEAFIOLFBZVHT-RMGXSAEISA-N 2 1 389.971 3.568 20 0 GHADMP CN(c1ccccc1C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000668846400 851422544 /nfs/dbraw/zinc/42/25/44/851422544.db2.gz ZURXYMPGMLAYRX-UHFFFAOYSA-N 2 1 395.595 3.535 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCc1ccc(F)cc1 ZINC000515759362 851440779 /nfs/dbraw/zinc/44/07/79/851440779.db2.gz SDBCLSHEVFDECH-RBUKOAKNSA-N 2 1 397.538 3.995 20 0 GHADMP c1ccc2nc(N3CCC([NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)CC3)cnc2c1 ZINC001167970869 851474454 /nfs/dbraw/zinc/47/44/54/851474454.db2.gz PAKBDBOKFAMQDG-SEJPIABJSA-N 2 1 391.563 3.594 20 0 GHADMP O=C(NCc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488453940 851506115 /nfs/dbraw/zinc/50/61/15/851506115.db2.gz XXDXGKAIRGCEFQ-XMMPIXPASA-N 2 1 391.559 3.852 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2s1 ZINC000505803721 851524283 /nfs/dbraw/zinc/52/42/83/851524283.db2.gz XCSINOQRBHJBFE-QGZVFWFLSA-N 2 1 377.529 3.529 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000519552316 851525359 /nfs/dbraw/zinc/52/53/59/851525359.db2.gz ZPRZCCCFZAWJCJ-ONTIZHBOSA-N 2 1 387.474 3.695 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000519552316 851525361 /nfs/dbraw/zinc/52/53/61/851525361.db2.gz ZPRZCCCFZAWJCJ-ONTIZHBOSA-N 2 1 387.474 3.695 20 0 GHADMP CC[NH+](CC)CCS(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000555947129 862259738 /nfs/dbraw/zinc/25/97/38/862259738.db2.gz GVEBQYQWXCBFKY-UHFFFAOYSA-N 2 1 381.586 3.535 20 0 GHADMP COc1ccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)cc1C(F)(F)F ZINC001212142117 851891099 /nfs/dbraw/zinc/89/10/99/851891099.db2.gz BZHANENJRCHZKH-AWEZNQCLSA-N 2 1 386.418 3.932 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000438084064 852024487 /nfs/dbraw/zinc/02/44/87/852024487.db2.gz ZKHKUQBRHDMWAL-LJQANCHMSA-N 2 1 394.515 3.626 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000438084064 852024491 /nfs/dbraw/zinc/02/44/91/852024491.db2.gz ZKHKUQBRHDMWAL-LJQANCHMSA-N 2 1 394.515 3.626 20 0 GHADMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC001270117406 852213451 /nfs/dbraw/zinc/21/34/51/852213451.db2.gz PZBGJVYAGAOIMI-KVMCETHSSA-N 2 1 375.944 3.608 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(C[NH+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000489355352 852263934 /nfs/dbraw/zinc/26/39/34/852263934.db2.gz CANGHPXRNQMWDW-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c(C[NH+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489355352 852263941 /nfs/dbraw/zinc/26/39/41/852263941.db2.gz CANGHPXRNQMWDW-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(C[NH+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000489355352 852263948 /nfs/dbraw/zinc/26/39/48/852263948.db2.gz CANGHPXRNQMWDW-YCAMKHIRSA-N 2 1 384.564 3.688 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)C ZINC000506882027 852284605 /nfs/dbraw/zinc/28/46/05/852284605.db2.gz LCTURPRTFUMULE-UHFFFAOYSA-N 2 1 392.613 3.818 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638747642 852357973 /nfs/dbraw/zinc/35/79/73/852357973.db2.gz DNSWJEMOMCNGPV-GIWBLDEGSA-N 2 1 381.564 3.735 20 0 GHADMP O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638747642 852357982 /nfs/dbraw/zinc/35/79/82/852357982.db2.gz DNSWJEMOMCNGPV-GIWBLDEGSA-N 2 1 381.564 3.735 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC000570460384 852364457 /nfs/dbraw/zinc/36/44/57/852364457.db2.gz SVDFUWRKPQHQBF-FPOVZHCZSA-N 2 1 377.617 3.904 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC(C)C)c(C)c1 ZINC000438427349 852365509 /nfs/dbraw/zinc/36/55/09/852365509.db2.gz CPIOCWIEEOYMAS-FQEVSTJZSA-N 2 1 390.572 3.662 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000489571296 852466742 /nfs/dbraw/zinc/46/67/42/852466742.db2.gz YVGGADWOEFVXBJ-UHFFFAOYSA-N 2 1 391.559 3.958 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000489571296 852466752 /nfs/dbraw/zinc/46/67/52/852466752.db2.gz YVGGADWOEFVXBJ-UHFFFAOYSA-N 2 1 391.559 3.958 20 0 GHADMP Cc1cccc(-c2noc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)c1 ZINC000426833425 852467784 /nfs/dbraw/zinc/46/77/84/852467784.db2.gz KWGSUCMUHPHHQR-KDURUIRLSA-N 2 1 398.551 3.756 20 0 GHADMP Cc1cccc(-c2noc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2)c1 ZINC000426833425 852467794 /nfs/dbraw/zinc/46/77/94/852467794.db2.gz KWGSUCMUHPHHQR-KDURUIRLSA-N 2 1 398.551 3.756 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000489767585 852595918 /nfs/dbraw/zinc/59/59/18/852595918.db2.gz CBXJJQOHOMXUBX-WMTXJRDZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000489856179 852611375 /nfs/dbraw/zinc/61/13/75/852611375.db2.gz WGVYWLZXDWXVSW-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000489937285 852656217 /nfs/dbraw/zinc/65/62/17/852656217.db2.gz UDMHJJCBTRGFNP-NRFANRHFSA-N 2 1 385.577 3.769 20 0 GHADMP C[C@@H]1[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000489956787 852672498 /nfs/dbraw/zinc/67/24/98/852672498.db2.gz NPDQEFMFEUFHNJ-PXDATVDWSA-N 2 1 377.576 3.946 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000507380933 852837499 /nfs/dbraw/zinc/83/74/99/852837499.db2.gz QXYSBNMLTGWABX-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000507380933 852837506 /nfs/dbraw/zinc/83/75/06/852837506.db2.gz QXYSBNMLTGWABX-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000507380933 852837517 /nfs/dbraw/zinc/83/75/17/852837517.db2.gz QXYSBNMLTGWABX-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000507439272 852915095 /nfs/dbraw/zinc/91/50/95/852915095.db2.gz CIHRAMMKMWRFBI-QZNHQXDQSA-N 2 1 392.547 3.549 20 0 GHADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507439272 852915102 /nfs/dbraw/zinc/91/51/02/852915102.db2.gz CIHRAMMKMWRFBI-QZNHQXDQSA-N 2 1 392.547 3.549 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000516765508 852975368 /nfs/dbraw/zinc/97/53/68/852975368.db2.gz IUMDQMRJGRKIBX-XXBNENTESA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000516765508 852975372 /nfs/dbraw/zinc/97/53/72/852975372.db2.gz IUMDQMRJGRKIBX-XXBNENTESA-N 2 1 379.548 3.838 20 0 GHADMP c1coc([C@@H](C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)N2CCCC2)c1 ZINC000507513993 852992992 /nfs/dbraw/zinc/99/29/92/852992992.db2.gz SLAWANMELANLSU-GSPCLOLRSA-N 2 1 379.548 3.917 20 0 GHADMP c1coc([C@@H](CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[NH+]2CCCC2)c1 ZINC000507513993 852992996 /nfs/dbraw/zinc/99/29/96/852992996.db2.gz SLAWANMELANLSU-GSPCLOLRSA-N 2 1 379.548 3.917 20 0 GHADMP c1coc([C@@H](CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[NH+]2CCCC2)c1 ZINC000507513993 852992997 /nfs/dbraw/zinc/99/29/97/852992997.db2.gz SLAWANMELANLSU-GSPCLOLRSA-N 2 1 379.548 3.917 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000518291486 853185721 /nfs/dbraw/zinc/18/57/21/853185721.db2.gz SUNRCYOGMQCGJZ-UGKGYDQZSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000623828048 862442329 /nfs/dbraw/zinc/44/23/29/862442329.db2.gz HDMFALQBGGEYSD-TUACAJSNSA-N 2 1 382.548 3.597 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000623828048 862442341 /nfs/dbraw/zinc/44/23/41/862442341.db2.gz HDMFALQBGGEYSD-TUACAJSNSA-N 2 1 382.548 3.597 20 0 GHADMP Fc1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2COc3ccccc3O2)cc1 ZINC000426318896 853423090 /nfs/dbraw/zinc/42/30/90/853423090.db2.gz MQFYTEGPPXPLOE-IUBSTNSRSA-N 2 1 396.506 3.793 20 0 GHADMP O[C@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491054768 853428824 /nfs/dbraw/zinc/42/88/24/853428824.db2.gz DDCOYTBSVYPXFE-CTNGQTDRSA-N 2 1 394.987 3.806 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC[N@@H+]1C ZINC000426317666 853433345 /nfs/dbraw/zinc/43/33/45/853433345.db2.gz FRFJADRHQZURIL-NNHNJENNSA-N 2 1 384.495 3.649 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC[N@H+]1C ZINC000426317666 853433354 /nfs/dbraw/zinc/43/33/54/853433354.db2.gz FRFJADRHQZURIL-NNHNJENNSA-N 2 1 384.495 3.649 20 0 GHADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(Br)cc1 ZINC000604773654 862468280 /nfs/dbraw/zinc/46/82/80/862468280.db2.gz WELGNZGGBWNSIN-XJKSGUPXSA-N 2 1 384.362 3.732 20 0 GHADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000439328790 853558417 /nfs/dbraw/zinc/55/84/17/853558417.db2.gz OQKYXGGDQHZCJE-PKTZIBPZSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000518637990 853598518 /nfs/dbraw/zinc/59/85/18/853598518.db2.gz JHVCWGLENAUVFW-AUSIDOKSSA-N 2 1 379.548 3.980 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000518637990 853598524 /nfs/dbraw/zinc/59/85/24/853598524.db2.gz JHVCWGLENAUVFW-AUSIDOKSSA-N 2 1 379.548 3.980 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000519935483 853646390 /nfs/dbraw/zinc/64/63/90/853646390.db2.gz VVHCCAFUAXKAGV-VWPQPMDRSA-N 2 1 386.584 3.552 20 0 GHADMP Cc1ccc2cc(C[N@H+](C)C[C@@]3(O)CCN(Cc4ccccc4)C3)ccc2n1 ZINC000437969920 853728981 /nfs/dbraw/zinc/72/89/81/853728981.db2.gz PCTVLPUTGUWADS-DEOSSOPVSA-N 2 1 375.516 3.612 20 0 GHADMP Cc1ccc2cc(CN(C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000437969920 853728986 /nfs/dbraw/zinc/72/89/86/853728986.db2.gz PCTVLPUTGUWADS-DEOSSOPVSA-N 2 1 375.516 3.612 20 0 GHADMP Cc1ccc2cc(CN(C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000437969920 853728991 /nfs/dbraw/zinc/72/89/91/853728991.db2.gz PCTVLPUTGUWADS-DEOSSOPVSA-N 2 1 375.516 3.612 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000571164834 853776036 /nfs/dbraw/zinc/77/60/36/853776036.db2.gz DSAGUMVPHFJEMT-SJORKVTESA-N 2 1 378.442 3.713 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000481913304 862510000 /nfs/dbraw/zinc/51/00/00/862510000.db2.gz FEJILAGGDJRHDH-XMMPIXPASA-N 2 1 378.564 3.850 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000441162047 853958303 /nfs/dbraw/zinc/95/83/03/853958303.db2.gz CMJLUINMBJTYJJ-MDRMPYQZSA-N 2 1 383.580 3.933 20 0 GHADMP C(CC[NH+]1CCC[C@@H]([C@H]2CCOC2)C1)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441218312 853991596 /nfs/dbraw/zinc/99/15/96/853991596.db2.gz RJESTXLTOSSEAZ-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441218312 853991598 /nfs/dbraw/zinc/99/15/98/853991598.db2.gz RJESTXLTOSSEAZ-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP C(CC[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441218312 853991601 /nfs/dbraw/zinc/99/16/01/853991601.db2.gz RJESTXLTOSSEAZ-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000058467159 862521792 /nfs/dbraw/zinc/52/17/92/862521792.db2.gz INCLPTHSQZEFQC-HSZRJFAPSA-N 2 1 394.563 3.727 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000058467159 862521800 /nfs/dbraw/zinc/52/18/00/862521800.db2.gz INCLPTHSQZEFQC-HSZRJFAPSA-N 2 1 394.563 3.727 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1cccs1 ZINC000164954640 854039140 /nfs/dbraw/zinc/03/91/40/854039140.db2.gz PZYBKCQOLSMTOF-WMLDXEAASA-N 2 1 375.504 3.747 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1cccs1 ZINC000164954640 854039147 /nfs/dbraw/zinc/03/91/47/854039147.db2.gz PZYBKCQOLSMTOF-WMLDXEAASA-N 2 1 375.504 3.747 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000571751674 854040077 /nfs/dbraw/zinc/04/00/77/854040077.db2.gz YBQZEYRKSHRLIR-UHFFFAOYSA-N 2 1 379.976 3.601 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)[C@H]2C1 ZINC000571796972 854158160 /nfs/dbraw/zinc/15/81/60/854158160.db2.gz LIWCICFOSFUQBC-JNVBVNAASA-N 2 1 383.580 3.666 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571811837 854165017 /nfs/dbraw/zinc/16/50/17/854165017.db2.gz ZSUVDQCAVKOOJK-XXTHSBEZSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000571811837 854165024 /nfs/dbraw/zinc/16/50/24/854165024.db2.gz ZSUVDQCAVKOOJK-XXTHSBEZSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571811837 854165029 /nfs/dbraw/zinc/16/50/29/854165029.db2.gz ZSUVDQCAVKOOJK-XXTHSBEZSA-N 2 1 383.580 3.620 20 0 GHADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000571811837 854165035 /nfs/dbraw/zinc/16/50/35/854165035.db2.gz ZSUVDQCAVKOOJK-XXTHSBEZSA-N 2 1 383.580 3.620 20 0 GHADMP Brc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441403243 854199556 /nfs/dbraw/zinc/19/95/56/854199556.db2.gz KJUIEDVPKWNJSY-HNAYVOBHSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441403243 854199558 /nfs/dbraw/zinc/19/95/58/854199558.db2.gz KJUIEDVPKWNJSY-HNAYVOBHSA-N 2 1 379.342 3.777 20 0 GHADMP c1cc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc2c1OCO2 ZINC000588671214 854317747 /nfs/dbraw/zinc/31/77/47/854317747.db2.gz XOCGQVXKECXHCK-UHFFFAOYSA-N 2 1 398.507 3.553 20 0 GHADMP C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994952 854429806 /nfs/dbraw/zinc/42/98/06/854429806.db2.gz RKNJYKSGIBRJJU-GURQWTFNSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994952 854429813 /nfs/dbraw/zinc/42/98/13/854429813.db2.gz RKNJYKSGIBRJJU-GURQWTFNSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994952 854429817 /nfs/dbraw/zinc/42/98/17/854429817.db2.gz RKNJYKSGIBRJJU-GURQWTFNSA-N 2 1 377.573 3.581 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000624011912 862581656 /nfs/dbraw/zinc/58/16/56/862581656.db2.gz MFCBMPJMOCGWCO-AVRDEDQJSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000624011912 862581669 /nfs/dbraw/zinc/58/16/69/862581669.db2.gz MFCBMPJMOCGWCO-AVRDEDQJSA-N 2 1 390.531 3.505 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000069765534 854693592 /nfs/dbraw/zinc/69/35/92/854693592.db2.gz MUYASUVOFRPYNA-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)[NH+]2CCCCC2)cc1 ZINC000441438799 854804320 /nfs/dbraw/zinc/80/43/20/854804320.db2.gz NBUFHCKPPZAUBY-PMOQBDJRSA-N 2 1 399.579 3.603 20 0 GHADMP Brc1ccc(/C=C\CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000624046916 862612877 /nfs/dbraw/zinc/61/28/77/862612877.db2.gz PWFOYEJYPSPYKE-SOHNTWGLSA-N 2 1 379.342 3.695 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OC)cc1F)CC1CCN(c2ccccn2)CC1 ZINC000572847027 855040844 /nfs/dbraw/zinc/04/08/44/855040844.db2.gz PRDQFOBHBBPVGP-UHFFFAOYSA-N 2 1 387.499 3.976 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168395421 855175868 /nfs/dbraw/zinc/17/58/68/855175868.db2.gz ZKASKECJYDHXTQ-IBGZPJMESA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](C2CC2)C2CC[NH+](CC3CC3)CC2)C1 ZINC001168395421 855175872 /nfs/dbraw/zinc/17/58/72/855175872.db2.gz ZKASKECJYDHXTQ-IBGZPJMESA-N 2 1 391.600 3.972 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(OCCO)CCC(F)(F)CC2)cc1 ZINC000624103008 862653531 /nfs/dbraw/zinc/65/35/31/862653531.db2.gz PQDHGGDWEBVWED-MRXNPFEDSA-N 2 1 393.478 3.788 20 0 GHADMP COC(=O)c1cccc(Br)c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590109245 855281878 /nfs/dbraw/zinc/28/18/78/855281878.db2.gz AIEIHAKEDUUHEG-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP COC(=O)c1cccc(Br)c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590109245 855281891 /nfs/dbraw/zinc/28/18/91/855281891.db2.gz AIEIHAKEDUUHEG-UHFFFAOYSA-N 2 1 397.357 3.788 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1CCCCCC1 ZINC000459037707 855311455 /nfs/dbraw/zinc/31/14/55/855311455.db2.gz YMQVCUXZQBOJPW-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000647986941 855436253 /nfs/dbraw/zinc/43/62/53/855436253.db2.gz ZMAXOHLYVMJKOM-CABCVRRESA-N 2 1 380.414 3.577 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000674015764 862696087 /nfs/dbraw/zinc/69/60/87/862696087.db2.gz MOHRYPUTYLPKPB-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000674015764 862696092 /nfs/dbraw/zinc/69/60/92/862696092.db2.gz MOHRYPUTYLPKPB-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674015764 862696096 /nfs/dbraw/zinc/69/60/96/862696096.db2.gz MOHRYPUTYLPKPB-IFMALSPDSA-N 2 1 383.580 3.764 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000590787188 855585741 /nfs/dbraw/zinc/58/57/41/855585741.db2.gz UCGCEFAUBYRYPA-HNNXBMFYSA-N 2 1 383.483 3.667 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000590787188 855585743 /nfs/dbraw/zinc/58/57/43/855585743.db2.gz UCGCEFAUBYRYPA-HNNXBMFYSA-N 2 1 383.483 3.667 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000605026418 862718798 /nfs/dbraw/zinc/71/87/98/862718798.db2.gz UTCJVHBFTQVHAZ-HXUWFJFHSA-N 2 1 377.960 3.858 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000605026418 862718805 /nfs/dbraw/zinc/71/88/05/862718805.db2.gz UTCJVHBFTQVHAZ-HXUWFJFHSA-N 2 1 377.960 3.858 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000573094364 855861896 /nfs/dbraw/zinc/86/18/96/855861896.db2.gz VOWSIBUCCAFSAS-PKTZIBPZSA-N 2 1 389.628 3.858 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591421741 855969267 /nfs/dbraw/zinc/96/92/67/855969267.db2.gz NLFYGCMNDBAUNY-LJQANCHMSA-N 2 1 387.568 3.542 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000591427687 855972672 /nfs/dbraw/zinc/97/26/72/855972672.db2.gz JWACIXGPOMKEBC-HXUWFJFHSA-N 2 1 399.579 3.640 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000591452163 855995722 /nfs/dbraw/zinc/99/57/22/855995722.db2.gz XLOAUHRRDLOXGP-PMACEKPBSA-N 2 1 387.568 3.542 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000573244338 856021411 /nfs/dbraw/zinc/02/14/11/856021411.db2.gz BLFRSBSOCJERGK-CEWLAPEOSA-N 2 1 395.513 3.903 20 0 GHADMP CC(C)C[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc(C(F)(F)F)c1 ZINC000629552565 862753784 /nfs/dbraw/zinc/75/37/84/862753784.db2.gz MJXDOMBJMAANKU-ZWKOTPCHSA-N 2 1 381.446 3.708 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000459131574 856104859 /nfs/dbraw/zinc/10/48/59/856104859.db2.gz BAHPUALSJJMDEM-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000459131574 856104866 /nfs/dbraw/zinc/10/48/66/856104866.db2.gz BAHPUALSJJMDEM-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000459131574 856104870 /nfs/dbraw/zinc/10/48/70/856104870.db2.gz BAHPUALSJJMDEM-KNQAVFIVSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000542843997 856122216 /nfs/dbraw/zinc/12/22/16/856122216.db2.gz OFWHTVYLHSFGDO-REWPJTCUSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000542843997 856122221 /nfs/dbraw/zinc/12/22/21/856122221.db2.gz OFWHTVYLHSFGDO-REWPJTCUSA-N 2 1 391.559 3.999 20 0 GHADMP CC(C)=C[C@@H]1[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000674308553 856156676 /nfs/dbraw/zinc/15/66/76/856156676.db2.gz BVTKLYQIZUFOMP-FGZHOGPDSA-N 2 1 389.628 3.880 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000591580474 856162706 /nfs/dbraw/zinc/16/27/06/856162706.db2.gz BWUZFWNTLRQAOP-RBBKRZOGSA-N 2 1 386.584 3.552 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000591700640 856223137 /nfs/dbraw/zinc/22/31/37/856223137.db2.gz CXGJLACDWHJKND-UHFFFAOYSA-N 2 1 396.318 3.507 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@@H+]3CC3CCCCC3)CC2)[nH+]c1 ZINC000171751524 856251429 /nfs/dbraw/zinc/25/14/29/856251429.db2.gz YSIZDILRMOUPHF-QFIPXVFZSA-N 2 1 398.595 3.767 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@H+]3CC3CCCCC3)CC2)[nH+]c1 ZINC000171751524 856251433 /nfs/dbraw/zinc/25/14/33/856251433.db2.gz YSIZDILRMOUPHF-QFIPXVFZSA-N 2 1 398.595 3.767 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccccc2OCc2ccccn2)C[C@H](C)O1 ZINC000067452794 856267963 /nfs/dbraw/zinc/26/79/63/856267963.db2.gz SDKVSLOXQUGMBO-BGYRXZFFSA-N 2 1 383.536 3.640 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)n(C)n1 ZINC000639122263 856275154 /nfs/dbraw/zinc/27/51/54/856275154.db2.gz CNAWKCIFXKRLDL-QNWVGRARSA-N 2 1 393.579 3.655 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)C2)n(C)n1 ZINC000639122263 856275173 /nfs/dbraw/zinc/27/51/73/856275173.db2.gz CNAWKCIFXKRLDL-QNWVGRARSA-N 2 1 393.579 3.655 20 0 GHADMP COc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000060368350 856281461 /nfs/dbraw/zinc/28/14/61/856281461.db2.gz PJUYZTMJALXGGF-ROUUACIJSA-N 2 1 399.535 3.671 20 0 GHADMP CC(=O)N1CCC[C@H](C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639125020 856382345 /nfs/dbraw/zinc/38/23/45/856382345.db2.gz XYLGRKACVXQIJV-ISKFKSNPSA-N 2 1 385.596 3.773 20 0 GHADMP C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385840 856425995 /nfs/dbraw/zinc/42/59/95/856425995.db2.gz OLUJTQKEGAWGOD-FBBABVLZSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485385840 856426003 /nfs/dbraw/zinc/42/60/03/856426003.db2.gz OLUJTQKEGAWGOD-FBBABVLZSA-N 2 1 397.950 3.946 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485385840 856426012 /nfs/dbraw/zinc/42/60/12/856426012.db2.gz OLUJTQKEGAWGOD-FBBABVLZSA-N 2 1 397.950 3.946 20 0 GHADMP COc1ccc(OCc2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cs2)cc1 ZINC000573722775 856454292 /nfs/dbraw/zinc/45/42/92/856454292.db2.gz GGOMFHFGJMLUQK-QGZVFWFLSA-N 2 1 387.549 3.552 20 0 GHADMP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605135266 862799104 /nfs/dbraw/zinc/79/91/04/862799104.db2.gz PNYADBYRNYMVJY-APWZRJJASA-N 2 1 385.474 3.546 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000172525439 856466904 /nfs/dbraw/zinc/46/69/04/856466904.db2.gz MTRZSPKLBVKUSE-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000605165556 862816885 /nfs/dbraw/zinc/81/68/85/862816885.db2.gz JJUKIPMLJRMICJ-XLIONFOSSA-N 2 1 397.485 3.689 20 0 GHADMP CC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000605165556 862816895 /nfs/dbraw/zinc/81/68/95/862816895.db2.gz JJUKIPMLJRMICJ-XLIONFOSSA-N 2 1 397.485 3.689 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460110586 856642492 /nfs/dbraw/zinc/64/24/92/856642492.db2.gz MKYYJQOLNWFKIQ-JOCHJYFZSA-N 2 1 385.596 3.869 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000507951548 856736667 /nfs/dbraw/zinc/73/66/67/856736667.db2.gz CYOHEIDNCAQGTL-CLWJZODNSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000507951548 856736672 /nfs/dbraw/zinc/73/66/72/856736672.db2.gz CYOHEIDNCAQGTL-CLWJZODNSA-N 2 1 377.960 3.854 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168010711 856820827 /nfs/dbraw/zinc/82/08/27/856820827.db2.gz KSROROFGJOWZDV-IYRWYFENSA-N 2 1 393.575 3.757 20 0 GHADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC3([NH3+])CCCC3)s2)cc1OC ZINC000665248767 856844797 /nfs/dbraw/zinc/84/47/97/856844797.db2.gz BYOIZAXXADSLIX-CQSZACIVSA-N 2 1 389.565 3.982 20 0 GHADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000520912876 857397819 /nfs/dbraw/zinc/39/78/19/857397819.db2.gz DKTWNQSBBQKYQK-UHFFFAOYSA-N 2 1 382.508 3.899 20 0 GHADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000486099746 857427319 /nfs/dbraw/zinc/42/73/19/857427319.db2.gz KRXJRNOYPMXYDB-REWPJTCUSA-N 2 1 393.575 3.754 20 0 GHADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000060562116 857458207 /nfs/dbraw/zinc/45/82/07/857458207.db2.gz DFQCYQVOQSWGPV-UHFFFAOYSA-N 2 1 377.532 3.549 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000061868895 857546723 /nfs/dbraw/zinc/54/67/23/857546723.db2.gz DKIHSJFNLPECGE-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061868895 857546733 /nfs/dbraw/zinc/54/67/33/857546733.db2.gz DKIHSJFNLPECGE-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000061868895 857546741 /nfs/dbraw/zinc/54/67/41/857546741.db2.gz DKIHSJFNLPECGE-UHFFFAOYSA-N 2 1 388.600 3.981 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(Br)c1OC ZINC000062427215 857568561 /nfs/dbraw/zinc/56/85/61/857568561.db2.gz VXAYHXHLDQRWST-CQSZACIVSA-N 2 1 385.346 3.676 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(Br)c1OC ZINC000062427215 857568566 /nfs/dbraw/zinc/56/85/66/857568566.db2.gz VXAYHXHLDQRWST-CQSZACIVSA-N 2 1 385.346 3.676 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)[C@@H](C)C1 ZINC000675776756 857606577 /nfs/dbraw/zinc/60/65/77/857606577.db2.gz YWAQLQXXYSZRTP-JQVVWYNYSA-N 2 1 394.003 3.893 20 0 GHADMP Fc1cc2[nH]c(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)cc2c(Br)c1 ZINC000922063760 857702179 /nfs/dbraw/zinc/70/21/79/857702179.db2.gz ORTVRBDHKSZDAB-LLVKDONJSA-N 2 1 377.261 3.618 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000521174179 857705079 /nfs/dbraw/zinc/70/50/79/857705079.db2.gz VJJXHBGPNAVVQB-ZRCGQRJVSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000521174179 857705090 /nfs/dbraw/zinc/70/50/90/857705090.db2.gz VJJXHBGPNAVVQB-ZRCGQRJVSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000521174179 857705105 /nfs/dbraw/zinc/70/51/05/857705105.db2.gz VJJXHBGPNAVVQB-ZRCGQRJVSA-N 2 1 394.563 3.642 20 0 GHADMP COc1cccc(Cl)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000605322209 862944969 /nfs/dbraw/zinc/94/49/69/862944969.db2.gz KXNITTDLLIVKQD-NRFANRHFSA-N 2 1 387.955 3.817 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000671744443 857765078 /nfs/dbraw/zinc/76/50/78/857765078.db2.gz HXCSDAATBNRVLH-TZIWHRDSSA-N 2 1 375.520 3.830 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000065521811 857812263 /nfs/dbraw/zinc/81/22/63/857812263.db2.gz JXWKWMZUMZKPFX-REWPJTCUSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000065521811 857812269 /nfs/dbraw/zinc/81/22/69/857812269.db2.gz JXWKWMZUMZKPFX-REWPJTCUSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000065521811 857812274 /nfs/dbraw/zinc/81/22/74/857812274.db2.gz JXWKWMZUMZKPFX-REWPJTCUSA-N 2 1 394.563 3.643 20 0 GHADMP C[C@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000466025127 857880619 /nfs/dbraw/zinc/88/06/19/857880619.db2.gz GFEKUJACAZTITJ-PZJWPPBQSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000676543392 857933973 /nfs/dbraw/zinc/93/39/73/857933973.db2.gz QJXRLIOKVXYKIS-QFIPXVFZSA-N 2 1 392.632 3.652 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000594099976 857936200 /nfs/dbraw/zinc/93/62/00/857936200.db2.gz TXZQYXQPVVEBKM-OFNKIYASSA-N 2 1 398.595 3.831 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000486708510 858013058 /nfs/dbraw/zinc/01/30/58/858013058.db2.gz JZPCPSAMUFXBBF-VWNXMTODSA-N 2 1 391.559 3.875 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@H](c2ccccc2)C1 ZINC000442704038 858063154 /nfs/dbraw/zinc/06/31/54/858063154.db2.gz BLRISKFRSRCLAT-NLFFAJNJSA-N 2 1 388.559 3.604 20 0 GHADMP COCCC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442772314 858115036 /nfs/dbraw/zinc/11/50/36/858115036.db2.gz VNQKVEWUFOGGEU-DHIUTWEWSA-N 2 1 386.511 3.520 20 0 GHADMP COCCC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000442772314 858115042 /nfs/dbraw/zinc/11/50/42/858115042.db2.gz VNQKVEWUFOGGEU-DHIUTWEWSA-N 2 1 386.511 3.520 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871826 858188594 /nfs/dbraw/zinc/18/85/94/858188594.db2.gz HEQWKGVQRRGMQU-KRWDZBQOSA-N 2 1 386.609 3.719 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000066704659 858256607 /nfs/dbraw/zinc/25/66/07/858256607.db2.gz VHGZJNVXKUJEMR-FQEVSTJZSA-N 2 1 390.572 3.540 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@@H]1C ZINC000594999270 858361995 /nfs/dbraw/zinc/36/19/95/858361995.db2.gz BUTCAGFBDRAJQE-GBAJDQEWSA-N 2 1 384.564 3.856 20 0 GHADMP Ic1ccc2c(c1)[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CC2 ZINC000595055646 858380996 /nfs/dbraw/zinc/38/09/96/858380996.db2.gz YPSCURGBZHBDND-HTWSVDAQSA-N 2 1 396.316 3.885 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000574860190 858396331 /nfs/dbraw/zinc/39/63/31/858396331.db2.gz JJWMQCXLRJPKLT-FRIKZZABSA-N 2 1 376.504 3.607 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521905787 858415963 /nfs/dbraw/zinc/41/59/63/858415963.db2.gz HXQDAGBJBUOZTG-HSZRJFAPSA-N 2 1 385.596 3.712 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000543133679 858541176 /nfs/dbraw/zinc/54/11/76/858541176.db2.gz MEGNZINVOINNLR-UHFFFAOYSA-N 2 1 380.330 3.917 20 0 GHADMP COc1cc(Br)ccc1CCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000543133679 858541179 /nfs/dbraw/zinc/54/11/79/858541179.db2.gz MEGNZINVOINNLR-UHFFFAOYSA-N 2 1 380.330 3.917 20 0 GHADMP CCC[N@H+](CCCC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000543140512 858587259 /nfs/dbraw/zinc/58/72/59/858587259.db2.gz NWFQREUYCAULEN-UHFFFAOYSA-N 2 1 390.572 3.896 20 0 GHADMP CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000543140512 858587262 /nfs/dbraw/zinc/58/72/62/858587262.db2.gz NWFQREUYCAULEN-UHFFFAOYSA-N 2 1 390.572 3.896 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000522175168 858716278 /nfs/dbraw/zinc/71/62/78/858716278.db2.gz NXLBUJYSWHTNJR-QFIPXVFZSA-N 2 1 398.595 3.599 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000181946156 863060842 /nfs/dbraw/zinc/06/08/42/863060842.db2.gz QEHKHSDXJFWNAA-MSOLQXFVSA-N 2 1 383.540 3.805 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2Cl)cc1 ZINC000183672192 858792598 /nfs/dbraw/zinc/79/25/98/858792598.db2.gz BONKXWXVHJZITD-BEFAXECRSA-N 2 1 385.895 3.925 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1 ZINC000183689423 858797915 /nfs/dbraw/zinc/79/79/15/858797915.db2.gz WACHRUBERVEOMK-VBKZILBWSA-N 2 1 396.441 3.915 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1 ZINC000183689409 858798059 /nfs/dbraw/zinc/79/80/59/858798059.db2.gz WACHRUBERVEOMK-JLTOFOAXSA-N 2 1 396.441 3.915 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000522230157 858856712 /nfs/dbraw/zinc/85/67/12/858856712.db2.gz QYIOVINBCMGDIX-UXHICEINSA-N 2 1 386.584 3.681 20 0 GHADMP Cc1cc(Cl)ccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000482842033 858900742 /nfs/dbraw/zinc/90/07/42/858900742.db2.gz TYAGCNAOYFJRRI-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482889441 858944055 /nfs/dbraw/zinc/94/40/55/858944055.db2.gz UFGIQEJYSKFVCP-KRWDZBQOSA-N 2 1 398.016 3.743 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc4cnccc4c3)C2)ccn1 ZINC000856551323 881369728 /nfs/dbraw/zinc/36/97/28/881369728.db2.gz PJZVJSRZAFEUMO-QHCPKHFHSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc4cnccc4c3)C2)ccn1 ZINC000856551323 881369746 /nfs/dbraw/zinc/36/97/46/881369746.db2.gz PJZVJSRZAFEUMO-QHCPKHFHSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc4cnccc4c3)C2)ccn1 ZINC000856551323 881369763 /nfs/dbraw/zinc/36/97/63/881369763.db2.gz PJZVJSRZAFEUMO-QHCPKHFHSA-N 2 1 376.504 3.735 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443605490 859034136 /nfs/dbraw/zinc/03/41/36/859034136.db2.gz VTBSIQDAMLDVRE-MRXNPFEDSA-N 2 1 378.948 3.650 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000466301954 859058285 /nfs/dbraw/zinc/05/82/85/859058285.db2.gz ZIXZUIRTUNSBJL-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466301954 859058297 /nfs/dbraw/zinc/05/82/97/859058297.db2.gz ZIXZUIRTUNSBJL-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000466301954 859058310 /nfs/dbraw/zinc/05/83/10/859058310.db2.gz ZIXZUIRTUNSBJL-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000185223833 859059415 /nfs/dbraw/zinc/05/94/15/859059415.db2.gz HOFKNXYQJGIUPP-UHFFFAOYSA-N 2 1 388.821 3.774 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(OC)c(Cl)c3)C2)ccn1 ZINC000856552478 881376495 /nfs/dbraw/zinc/37/64/95/881376495.db2.gz CEUJPPNFDXETSA-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(OC)c(Cl)c3)C2)ccn1 ZINC000856552478 881376529 /nfs/dbraw/zinc/37/65/29/881376529.db2.gz CEUJPPNFDXETSA-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(OC)c(Cl)c3)C2)ccn1 ZINC000856552478 881376557 /nfs/dbraw/zinc/37/65/57/881376557.db2.gz CEUJPPNFDXETSA-IBGZPJMESA-N 2 1 389.927 3.849 20 0 GHADMP CC(C)(CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000543262109 859075088 /nfs/dbraw/zinc/07/50/88/859075088.db2.gz KDFHGBYBWOBJKM-LJQANCHMSA-N 2 1 386.584 3.874 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000185732509 859122151 /nfs/dbraw/zinc/12/21/51/859122151.db2.gz XGUWLUWISNEGPT-JYJNAYRXSA-N 2 1 395.494 3.858 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000185732509 859122162 /nfs/dbraw/zinc/12/21/62/859122162.db2.gz XGUWLUWISNEGPT-JYJNAYRXSA-N 2 1 395.494 3.858 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185760747 859126171 /nfs/dbraw/zinc/12/61/71/859126171.db2.gz MNRDJRGCXCXTJA-WSCWJOSJSA-N 2 1 399.579 3.505 20 0 GHADMP COc1ccc([C@H](NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000185760747 859126174 /nfs/dbraw/zinc/12/61/74/859126174.db2.gz MNRDJRGCXCXTJA-WSCWJOSJSA-N 2 1 399.579 3.505 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000483101827 859138182 /nfs/dbraw/zinc/13/81/82/859138182.db2.gz IWBSQFZPBZKRMX-WSTZPKSXSA-N 2 1 392.613 3.695 20 0 GHADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CCC(C)(C)C1 ZINC000483095359 859146980 /nfs/dbraw/zinc/14/69/80/859146980.db2.gz AIBVYTJCUPJVCM-IBGZPJMESA-N 2 1 375.582 3.684 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187129340 859172615 /nfs/dbraw/zinc/17/26/15/859172615.db2.gz SCDBQHAUFGGDLY-UHFFFAOYSA-N 2 1 377.532 3.658 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000483146527 859179546 /nfs/dbraw/zinc/17/95/46/859179546.db2.gz QUBXGWGPCKBVBL-MSOLQXFVSA-N 2 1 383.540 3.805 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000483155394 859186168 /nfs/dbraw/zinc/18/61/68/859186168.db2.gz LTOYGSGKVWJQQA-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000483155394 859186172 /nfs/dbraw/zinc/18/61/72/859186172.db2.gz LTOYGSGKVWJQQA-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000483155394 859186176 /nfs/dbraw/zinc/18/61/76/859186176.db2.gz LTOYGSGKVWJQQA-IRLDBZIGSA-N 2 1 383.580 3.764 20 0 GHADMP CCC(C)(C)c1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000509392534 859293293 /nfs/dbraw/zinc/29/32/93/859293293.db2.gz KGOVZIUXWJOKOW-UHFFFAOYSA-N 2 1 385.596 3.750 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000194889588 859327084 /nfs/dbraw/zinc/32/70/84/859327084.db2.gz LYJYTEYDXUPYHF-RBUKOAKNSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000194889588 859327088 /nfs/dbraw/zinc/32/70/88/859327088.db2.gz LYJYTEYDXUPYHF-RBUKOAKNSA-N 2 1 397.567 3.559 20 0 GHADMP COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1 ZINC000923482995 859361494 /nfs/dbraw/zinc/36/14/94/859361494.db2.gz KTFHTGDIUQZXPF-LBPRGKRZSA-N 2 1 396.354 3.752 20 0 GHADMP O[C@H](COc1ccccc1F)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466906 859393430 /nfs/dbraw/zinc/39/34/30/859393430.db2.gz BTLOQEZIMRBIEX-GIWBLDEGSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466906 859393444 /nfs/dbraw/zinc/39/34/44/859393444.db2.gz BTLOQEZIMRBIEX-GIWBLDEGSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483466906 859393457 /nfs/dbraw/zinc/39/34/57/859393457.db2.gz BTLOQEZIMRBIEX-GIWBLDEGSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483466906 859393470 /nfs/dbraw/zinc/39/34/70/859393470.db2.gz BTLOQEZIMRBIEX-GIWBLDEGSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccccc1F)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483466906 859393484 /nfs/dbraw/zinc/39/34/84/859393484.db2.gz BTLOQEZIMRBIEX-GIWBLDEGSA-N 2 1 398.522 3.552 20 0 GHADMP C[N@H+]1CCC[C@H]2CN(CC(=O)N(C3CCCCC3)C3CCCCC3)CC[C@@H]21 ZINC000483482349 859404588 /nfs/dbraw/zinc/40/45/88/859404588.db2.gz AWFOHGYKNUEXRQ-UGKGYDQZSA-N 2 1 375.601 3.897 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558239 881417802 /nfs/dbraw/zinc/41/78/02/881417802.db2.gz DISIDBMOQVLSCA-DEOSSOPVSA-N 2 1 379.548 3.790 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558239 881417880 /nfs/dbraw/zinc/41/78/80/881417880.db2.gz DISIDBMOQVLSCA-DEOSSOPVSA-N 2 1 379.548 3.790 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3Cc4ccccc4C3)C2)ccn1 ZINC000856558239 881417916 /nfs/dbraw/zinc/41/79/16/881417916.db2.gz DISIDBMOQVLSCA-DEOSSOPVSA-N 2 1 379.548 3.790 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000626062443 859436905 /nfs/dbraw/zinc/43/69/05/859436905.db2.gz SHIGPLAMKGZBPM-OAHLLOKOSA-N 2 1 375.463 3.876 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000626063925 859437354 /nfs/dbraw/zinc/43/73/54/859437354.db2.gz VOESTMWCRCQBDU-UHFFFAOYSA-N 2 1 382.430 3.501 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000626063925 859437366 /nfs/dbraw/zinc/43/73/66/859437366.db2.gz VOESTMWCRCQBDU-UHFFFAOYSA-N 2 1 382.430 3.501 20 0 GHADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000543372146 859441135 /nfs/dbraw/zinc/44/11/35/859441135.db2.gz YZACMIXHCKQBGP-RTWAWAEBSA-N 2 1 398.595 3.970 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558989 881425608 /nfs/dbraw/zinc/42/56/08/881425608.db2.gz CVZXXXRHBJZVIJ-QFIPXVFZSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558989 881425619 /nfs/dbraw/zinc/42/56/19/881425619.db2.gz CVZXXXRHBJZVIJ-QFIPXVFZSA-N 2 1 382.552 3.641 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3N(C)C)C2)ccn1 ZINC000856558989 881425630 /nfs/dbraw/zinc/42/56/30/881425630.db2.gz CVZXXXRHBJZVIJ-QFIPXVFZSA-N 2 1 382.552 3.641 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)CC(C)C ZINC000764777344 859607630 /nfs/dbraw/zinc/60/76/30/859607630.db2.gz SYHGOJVJDQWLQL-GIVPXCGWSA-N 2 1 375.557 3.790 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)CC(C)C ZINC000764777344 859607634 /nfs/dbraw/zinc/60/76/34/859607634.db2.gz SYHGOJVJDQWLQL-GIVPXCGWSA-N 2 1 375.557 3.790 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000114475760 859626754 /nfs/dbraw/zinc/62/67/54/859626754.db2.gz YUTYVJJOYSVMSC-GOSISDBHSA-N 2 1 375.557 3.775 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000114475760 859626760 /nfs/dbraw/zinc/62/67/60/859626760.db2.gz YUTYVJJOYSVMSC-GOSISDBHSA-N 2 1 375.557 3.775 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560830 881449157 /nfs/dbraw/zinc/44/91/57/881449157.db2.gz PHYSPFWXGPIKMI-JOCHJYFZSA-N 2 1 381.520 3.510 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560830 881449167 /nfs/dbraw/zinc/44/91/67/881449167.db2.gz PHYSPFWXGPIKMI-JOCHJYFZSA-N 2 1 381.520 3.510 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCO4)C2)ccn1 ZINC000856560830 881449175 /nfs/dbraw/zinc/44/91/75/881449175.db2.gz PHYSPFWXGPIKMI-JOCHJYFZSA-N 2 1 381.520 3.510 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc2c(c1)CCO2 ZINC000765011885 859727115 /nfs/dbraw/zinc/72/71/15/859727115.db2.gz USDAXUHWZBJSFR-XMMPIXPASA-N 2 1 393.575 4.000 20 0 GHADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067452797 859748487 /nfs/dbraw/zinc/74/84/87/859748487.db2.gz DGIFIUSXHNZGEG-CALCHBBNSA-N 2 1 388.531 3.607 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000765126262 859804449 /nfs/dbraw/zinc/80/44/49/859804449.db2.gz JJDNDEWDPVLHEV-NZSAHSFTSA-N 2 1 391.556 3.581 20 0 GHADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484125766 859816840 /nfs/dbraw/zinc/81/68/40/859816840.db2.gz BPKLFHKGULVAOP-RBBKRZOGSA-N 2 1 390.474 3.966 20 0 GHADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000484125766 859816846 /nfs/dbraw/zinc/81/68/46/859816846.db2.gz BPKLFHKGULVAOP-RBBKRZOGSA-N 2 1 390.474 3.966 20 0 GHADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)CCO1 ZINC000856561779 881468567 /nfs/dbraw/zinc/46/85/67/881468567.db2.gz YVQLWBBOLADGOX-UZKOGDIHSA-N 2 1 375.557 3.580 20 0 GHADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)CCO1 ZINC000856561779 881468573 /nfs/dbraw/zinc/46/85/73/881468573.db2.gz YVQLWBBOLADGOX-UZKOGDIHSA-N 2 1 375.557 3.580 20 0 GHADMP CC[C@@H]1C[C@H](C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)CCO1 ZINC000856561779 881468578 /nfs/dbraw/zinc/46/85/78/881468578.db2.gz YVQLWBBOLADGOX-UZKOGDIHSA-N 2 1 375.557 3.580 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000765269009 859875211 /nfs/dbraw/zinc/87/52/11/859875211.db2.gz ZFTJUOIBSUTRCZ-UHFFFAOYSA-N 2 1 397.494 3.579 20 0 GHADMP Cc1ncsc1-c1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922389802 859880092 /nfs/dbraw/zinc/88/00/92/859880092.db2.gz KKIKUILBBYEKOO-KRXUUXHPSA-N 2 1 385.577 3.688 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3nc(Cl)ccc3s1)C2 ZINC000922391177 859887356 /nfs/dbraw/zinc/88/73/56/859887356.db2.gz UIMAZIGZSXIIQL-VVWQDTPRSA-N 2 1 379.957 3.519 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000484305862 859933961 /nfs/dbraw/zinc/93/39/61/859933961.db2.gz JCFFSRONYWQBNL-NZSAHSFTSA-N 2 1 396.597 3.650 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)C1 ZINC000765376354 859936610 /nfs/dbraw/zinc/93/66/10/859936610.db2.gz OISAJNZDQLRIRW-SJLPKXTDSA-N 2 1 390.572 3.797 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H](CN2C(=O)CCC2=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033949 859983952 /nfs/dbraw/zinc/98/39/52/859983952.db2.gz NUABDKCSWQUOLH-KOUHRCEDSA-N 2 1 399.579 3.581 20 0 GHADMP Fc1ccc2occ(C[N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001141852898 860079347 /nfs/dbraw/zinc/07/93/47/860079347.db2.gz VPRPRFGATMBOJC-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occ(C[NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001141852898 860079356 /nfs/dbraw/zinc/07/93/56/860079356.db2.gz VPRPRFGATMBOJC-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP Fc1ccc2occ(C[NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001141852898 860079368 /nfs/dbraw/zinc/07/93/68/860079368.db2.gz VPRPRFGATMBOJC-WZONZLPQSA-N 2 1 395.478 3.690 20 0 GHADMP CC[C@@H](c1ccccc1)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000537627791 881500792 /nfs/dbraw/zinc/50/07/92/881500792.db2.gz IMHSXCSUTNHAJW-QFIPXVFZSA-N 2 1 381.568 3.838 20 0 GHADMP CC[C@@H](c1ccccc1)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000537627791 881500814 /nfs/dbraw/zinc/50/08/14/881500814.db2.gz IMHSXCSUTNHAJW-QFIPXVFZSA-N 2 1 381.568 3.838 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](CC3CCOCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168035132 860121699 /nfs/dbraw/zinc/12/16/99/860121699.db2.gz RNFIIVMDXHQRGX-WNXIRNOKSA-N 2 1 385.596 3.519 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](CC3CCOCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168035132 860121703 /nfs/dbraw/zinc/12/17/03/860121703.db2.gz RNFIIVMDXHQRGX-WNXIRNOKSA-N 2 1 385.596 3.519 20 0 GHADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](CC3CCOCC3)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168035132 860121709 /nfs/dbraw/zinc/12/17/09/860121709.db2.gz RNFIIVMDXHQRGX-WNXIRNOKSA-N 2 1 385.596 3.519 20 0 GHADMP C[C@@H]1CC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168035753 860168581 /nfs/dbraw/zinc/16/85/81/860168581.db2.gz UWWHCRZTKAFSIX-IAGOWNOFSA-N 2 1 379.504 3.549 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000765663323 860390734 /nfs/dbraw/zinc/39/07/34/860390734.db2.gz OFAAWOYCEFAVKF-LJQANCHMSA-N 2 1 388.556 3.546 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C3CC3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037724 860432414 /nfs/dbraw/zinc/43/24/14/860432414.db2.gz ZXBCKVNBRQKWDC-SIEPEHLFSA-N 2 1 383.580 3.855 20 0 GHADMP Cn1c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccc(Cl)cc21 ZINC000904474118 860466744 /nfs/dbraw/zinc/46/67/44/860466744.db2.gz JLJSYSWSCPVILP-DYESRHJHSA-N 2 1 382.895 3.572 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000484925140 860500809 /nfs/dbraw/zinc/50/08/09/860500809.db2.gz YSMLJQJMLFREDM-FGTMMUONSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000484925140 860500812 /nfs/dbraw/zinc/50/08/12/860500812.db2.gz YSMLJQJMLFREDM-FGTMMUONSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000484925140 860500816 /nfs/dbraw/zinc/50/08/16/860500816.db2.gz YSMLJQJMLFREDM-FGTMMUONSA-N 2 1 382.976 3.926 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C(C)C)cc1Cl ZINC000484925140 860500822 /nfs/dbraw/zinc/50/08/22/860500822.db2.gz YSMLJQJMLFREDM-FGTMMUONSA-N 2 1 382.976 3.926 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000026343862 860587288 /nfs/dbraw/zinc/58/72/88/860587288.db2.gz GMPBZHRDZJIDKF-GOSISDBHSA-N 2 1 399.966 3.941 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000026343862 860587294 /nfs/dbraw/zinc/58/72/94/860587294.db2.gz GMPBZHRDZJIDKF-GOSISDBHSA-N 2 1 399.966 3.941 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCc3cccc(OC)c3)C2)ccn1 ZINC000856592778 881566817 /nfs/dbraw/zinc/56/68/17/881566817.db2.gz WUQZHMWIAJGFMP-HSZRJFAPSA-N 2 1 383.536 3.628 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCc3cccc(OC)c3)C2)ccn1 ZINC000856592778 881566821 /nfs/dbraw/zinc/56/68/21/881566821.db2.gz WUQZHMWIAJGFMP-HSZRJFAPSA-N 2 1 383.536 3.628 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCc3cccc(OC)c3)C2)ccn1 ZINC000856592778 881566823 /nfs/dbraw/zinc/56/68/23/881566823.db2.gz WUQZHMWIAJGFMP-HSZRJFAPSA-N 2 1 383.536 3.628 20 0 GHADMP COc1c(C)cnc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1C ZINC000856598910 881571359 /nfs/dbraw/zinc/57/13/59/881571359.db2.gz CSSQOJZZESCHOJ-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP COc1c(C)cnc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856598910 881571370 /nfs/dbraw/zinc/57/13/70/881571370.db2.gz CSSQOJZZESCHOJ-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP COc1c(C)cnc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856598910 881571380 /nfs/dbraw/zinc/57/13/80/881571380.db2.gz CSSQOJZZESCHOJ-OAQYLSRUSA-N 2 1 398.551 3.596 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCC[C@H](C)C4)CC3)C2=O)cc1 ZINC000189097770 881592744 /nfs/dbraw/zinc/59/27/44/881592744.db2.gz KLISWCDXUAHZRS-PMOQBDJRSA-N 2 1 383.580 3.729 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000623360879 860921604 /nfs/dbraw/zinc/92/16/04/860921604.db2.gz CHXNMQSQOJNYNX-QWHCGFSZSA-N 2 1 381.343 3.617 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000623360879 860921611 /nfs/dbraw/zinc/92/16/11/860921611.db2.gz CHXNMQSQOJNYNX-QWHCGFSZSA-N 2 1 381.343 3.617 20 0 GHADMP C[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000557024038 881594246 /nfs/dbraw/zinc/59/42/46/881594246.db2.gz UVZXJXLWWSEYGP-QHAWAJNXSA-N 2 1 383.580 3.762 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)CC1(C)C ZINC000623387539 860979541 /nfs/dbraw/zinc/97/95/41/860979541.db2.gz HWEVCQYTRBCALE-MOPGFXCFSA-N 2 1 399.501 3.541 20 0 GHADMP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1c1ccccc1 ZINC000499210058 881623075 /nfs/dbraw/zinc/62/30/75/881623075.db2.gz FUCHWIQLITUAOO-XGAJZPNHSA-N 2 1 389.543 3.967 20 0 GHADMP O=C1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1c1ccccc1 ZINC000499210058 881623076 /nfs/dbraw/zinc/62/30/76/881623076.db2.gz FUCHWIQLITUAOO-XGAJZPNHSA-N 2 1 389.543 3.967 20 0 GHADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000625202433 861140730 /nfs/dbraw/zinc/14/07/30/861140730.db2.gz ZXEVIYJIIKVZFZ-PWRODBHTSA-N 2 1 397.588 3.516 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1(C)C ZINC000623527011 861159765 /nfs/dbraw/zinc/15/97/65/861159765.db2.gz CXEXJXWZLNUIGR-OAHLLOKOSA-N 2 1 382.430 3.804 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1(C)C ZINC000623527011 861159768 /nfs/dbraw/zinc/15/97/68/861159768.db2.gz CXEXJXWZLNUIGR-OAHLLOKOSA-N 2 1 382.430 3.804 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[N@H+]1C1CC1 ZINC000177120967 861160644 /nfs/dbraw/zinc/16/06/44/861160644.db2.gz DVHZIGXEOOOKMM-XMSQKQJNSA-N 2 1 377.532 3.674 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000605516802 863129972 /nfs/dbraw/zinc/12/99/72/863129972.db2.gz GDESDMKGUZPQEM-HSZRJFAPSA-N 2 1 379.548 3.923 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000482474865 863183321 /nfs/dbraw/zinc/18/33/21/863183321.db2.gz GHXPEASTFZKMLC-DEOSSOPVSA-N 2 1 391.559 3.923 20 0 GHADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482565618 863318878 /nfs/dbraw/zinc/31/88/78/863318878.db2.gz YSSWKATZLOAGAP-VQIMIIECSA-N 2 1 395.975 3.613 20 0 GHADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482565618 863318887 /nfs/dbraw/zinc/31/88/87/863318887.db2.gz YSSWKATZLOAGAP-VQIMIIECSA-N 2 1 395.975 3.613 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482565543 863323219 /nfs/dbraw/zinc/32/32/19/863323219.db2.gz NQAIOUILGMGRPH-PXDATVDWSA-N 3 1 395.591 3.670 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000482565543 863323232 /nfs/dbraw/zinc/32/32/32/863323232.db2.gz NQAIOUILGMGRPH-PXDATVDWSA-N 3 1 395.591 3.670 20 0 GHADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000482570173 863328911 /nfs/dbraw/zinc/32/89/11/863328911.db2.gz TYNSIPZRXGTMGE-RDJZCZTQSA-N 2 1 389.540 3.792 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000428325838 863408717 /nfs/dbraw/zinc/40/87/17/863408717.db2.gz OCKGSPXEJMYMST-CUXKYVRBSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000428325838 863408722 /nfs/dbraw/zinc/40/87/22/863408722.db2.gz OCKGSPXEJMYMST-CUXKYVRBSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000428325838 863408725 /nfs/dbraw/zinc/40/87/25/863408725.db2.gz OCKGSPXEJMYMST-CUXKYVRBSA-N 2 1 386.584 3.602 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(c4ccccc4)CC3(C)C)CC2)CC1 ZINC000621219608 863885486 /nfs/dbraw/zinc/88/54/86/863885486.db2.gz HGLXZWKKARLPSV-VWLOTQADSA-N 2 1 397.607 3.667 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000103305974 863950510 /nfs/dbraw/zinc/95/05/10/863950510.db2.gz GGAQGOHGZVOPLE-FCHUYYIVSA-N 2 1 392.632 3.796 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000480068164 863990289 /nfs/dbraw/zinc/99/02/89/863990289.db2.gz HUCLVJWYPAPEGX-UHFFFAOYSA-N 2 1 379.504 3.751 20 0 GHADMP CCOC(=O)c1c[nH+]ccc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000480068164 863990303 /nfs/dbraw/zinc/99/03/03/863990303.db2.gz HUCLVJWYPAPEGX-UHFFFAOYSA-N 2 1 379.504 3.751 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000158949881 863996804 /nfs/dbraw/zinc/99/68/04/863996804.db2.gz AFTWRUDAYQIXMS-ICSRJNTNSA-N 2 1 380.598 3.602 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000480085145 864004119 /nfs/dbraw/zinc/00/41/19/864004119.db2.gz SRWHPSJIOWTLPX-FYYLOGMGSA-N 2 1 385.596 3.522 20 0 GHADMP CCOc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1Cl ZINC000607057842 864018512 /nfs/dbraw/zinc/01/85/12/864018512.db2.gz LUZLFPZMHPDZBC-QGZVFWFLSA-N 2 1 396.963 3.619 20 0 GHADMP C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667621069 864060649 /nfs/dbraw/zinc/06/06/49/864060649.db2.gz ZDSLPUBMJLIRFM-ISKFKSNPSA-N 2 1 380.532 3.808 20 0 GHADMP C[NH+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667621069 864060666 /nfs/dbraw/zinc/06/06/66/864060666.db2.gz ZDSLPUBMJLIRFM-ISKFKSNPSA-N 2 1 380.532 3.808 20 0 GHADMP C[NH+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667621069 864060684 /nfs/dbraw/zinc/06/06/84/864060684.db2.gz ZDSLPUBMJLIRFM-ISKFKSNPSA-N 2 1 380.532 3.808 20 0 GHADMP Cn1nc2c(c1C[NH2+][C@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)CSCC2 ZINC000898517056 864073368 /nfs/dbraw/zinc/07/33/68/864073368.db2.gz HVEYLSRVSRJUFZ-AABGKKOBSA-N 2 1 396.604 3.600 20 0 GHADMP Cc1cnc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056327 864155315 /nfs/dbraw/zinc/15/53/15/864155315.db2.gz FLCVVGLMCILJNR-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cnc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056327 864155320 /nfs/dbraw/zinc/15/53/20/864155320.db2.gz FLCVVGLMCILJNR-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cnc(O[C@H]2CC[N@@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056327 864155324 /nfs/dbraw/zinc/15/53/24/864155324.db2.gz FLCVVGLMCILJNR-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP Cc1cnc(O[C@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001168056327 864155331 /nfs/dbraw/zinc/15/53/31/864155331.db2.gz FLCVVGLMCILJNR-MXNKGDRCSA-N 2 1 380.536 3.680 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](CC)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000480256001 864339616 /nfs/dbraw/zinc/33/96/16/864339616.db2.gz YBYREXUZRYLJFF-QDSKXPNFSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NC[C@H](CC)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000480256001 864339621 /nfs/dbraw/zinc/33/96/21/864339621.db2.gz YBYREXUZRYLJFF-QDSKXPNFSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](CC)[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000480256001 864339631 /nfs/dbraw/zinc/33/96/31/864339631.db2.gz YBYREXUZRYLJFF-QDSKXPNFSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H](CC)[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000480256001 864339640 /nfs/dbraw/zinc/33/96/40/864339640.db2.gz YBYREXUZRYLJFF-QDSKXPNFSA-N 2 1 387.612 3.550 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@H](CC)[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000480256001 864339646 /nfs/dbraw/zinc/33/96/46/864339646.db2.gz YBYREXUZRYLJFF-QDSKXPNFSA-N 2 1 387.612 3.550 20 0 GHADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000532584877 864391895 /nfs/dbraw/zinc/39/18/95/864391895.db2.gz NTUALBURGSOZSQ-XMSQKQJNSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000532584877 864391909 /nfs/dbraw/zinc/39/19/09/864391909.db2.gz NTUALBURGSOZSQ-XMSQKQJNSA-N 2 1 385.577 3.617 20 0 GHADMP C[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000532584877 864391925 /nfs/dbraw/zinc/39/19/25/864391925.db2.gz NTUALBURGSOZSQ-XMSQKQJNSA-N 2 1 385.577 3.617 20 0 GHADMP COc1cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1OCc1ccccc1 ZINC000621771283 864416573 /nfs/dbraw/zinc/41/65/73/864416573.db2.gz AQLWZFFUNIXWBF-GHTZIAJQSA-N 2 1 398.547 3.898 20 0 GHADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000532304974 881771518 /nfs/dbraw/zinc/77/15/18/881771518.db2.gz CEJZVDMFHBSEPT-DEOSSOPVSA-N 2 1 393.575 3.783 20 0 GHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000532304974 881771530 /nfs/dbraw/zinc/77/15/30/881771530.db2.gz CEJZVDMFHBSEPT-DEOSSOPVSA-N 2 1 393.575 3.783 20 0 GHADMP COC1(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CCCCC1 ZINC000480359806 864545964 /nfs/dbraw/zinc/54/59/64/864545964.db2.gz UCNVTDYNISCWFP-UHFFFAOYSA-N 2 1 390.568 3.615 20 0 GHADMP c1ccc(OCCOc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cn2)cc1 ZINC000165521274 864678957 /nfs/dbraw/zinc/67/89/57/864678957.db2.gz AADSLPVDHHIMIX-UHFFFAOYSA-N 2 1 381.520 3.503 20 0 GHADMP Cc1oc2nc(C[NH+]3CCC(CC[N@H+]4CCCC[C@H]4C)CC3)nc(N)c2c1C ZINC000154709296 864868114 /nfs/dbraw/zinc/86/81/14/864868114.db2.gz JHYGOAKYFKHAQO-OAHLLOKOSA-N 2 1 385.556 3.898 20 0 GHADMP Cc1oc2nc(C[NH+]3CCC(CC[N@@H+]4CCCC[C@H]4C)CC3)nc(N)c2c1C ZINC000154709296 864868122 /nfs/dbraw/zinc/86/81/22/864868122.db2.gz JHYGOAKYFKHAQO-OAHLLOKOSA-N 2 1 385.556 3.898 20 0 GHADMP C[NH+](C)C1(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CCOCC1 ZINC000168293179 864894623 /nfs/dbraw/zinc/89/46/23/864894623.db2.gz ZFAZYQANIRZPRM-UHFFFAOYSA-N 2 1 388.502 3.819 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178414702 864915978 /nfs/dbraw/zinc/91/59/78/864915978.db2.gz XKJIQGDBENMDSE-OAQYLSRUSA-N 2 1 385.552 3.900 20 0 GHADMP c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667706278 864942223 /nfs/dbraw/zinc/94/22/23/864942223.db2.gz WAWOBOQNPOPSMQ-ZJSXRUAMSA-N 2 1 387.531 3.754 20 0 GHADMP [NH3+][C@@H](CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000168781334 864983012 /nfs/dbraw/zinc/98/30/12/864983012.db2.gz MLJVKYCEGMCKDT-GLCCWIKHSA-N 2 1 377.532 3.778 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)c1 ZINC000622442875 865010237 /nfs/dbraw/zinc/01/02/37/865010237.db2.gz UYKNXTORXMGFFM-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000622442875 865010250 /nfs/dbraw/zinc/01/02/50/865010250.db2.gz UYKNXTORXMGFFM-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000622442875 865010262 /nfs/dbraw/zinc/01/02/62/865010262.db2.gz UYKNXTORXMGFFM-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000554833971 865016338 /nfs/dbraw/zinc/01/63/38/865016338.db2.gz RQHOAJFVSYMVPZ-DEOSSOPVSA-N 2 1 396.575 3.914 20 0 GHADMP COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000554863056 865080511 /nfs/dbraw/zinc/08/05/11/865080511.db2.gz WKHYJRSRLBGTGZ-PKOBYXMFSA-N 2 1 384.520 3.800 20 0 GHADMP COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000554863055 865080787 /nfs/dbraw/zinc/08/07/87/865080787.db2.gz WKHYJRSRLBGTGZ-MJGOQNOKSA-N 2 1 384.520 3.800 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731401 865126870 /nfs/dbraw/zinc/12/68/70/865126870.db2.gz SAWFOTHUAIIEJS-HDICACEKSA-N 2 1 380.536 3.945 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000480737227 865171269 /nfs/dbraw/zinc/17/12/69/865171269.db2.gz CGLDDKLIGPUVEK-HXUWFJFHSA-N 2 1 381.564 3.992 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170423524 881842866 /nfs/dbraw/zinc/84/28/66/881842866.db2.gz FZDQPIZPVYFVPH-NJDAHSKKSA-N 2 1 381.520 3.904 20 0 GHADMP c1cc2[nH+]ccc(N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)c2s1 ZINC000301390264 865331820 /nfs/dbraw/zinc/33/18/20/865331820.db2.gz AFKJHSYCIOHUEZ-SFHVURJKSA-N 2 1 393.560 3.730 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000667760827 865423916 /nfs/dbraw/zinc/42/39/16/865423916.db2.gz XYDXQBNWFRYHII-QNWVGRARSA-N 2 1 392.547 3.828 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000172066194 865478583 /nfs/dbraw/zinc/47/85/83/865478583.db2.gz YAEUFGVBHISCRA-IBGZPJMESA-N 2 1 390.531 3.931 20 0 GHADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000172066194 865478586 /nfs/dbraw/zinc/47/85/86/865478586.db2.gz YAEUFGVBHISCRA-IBGZPJMESA-N 2 1 390.531 3.931 20 0 GHADMP Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cnc12 ZINC000480920380 865512742 /nfs/dbraw/zinc/51/27/42/865512742.db2.gz LHMZHIBBPFMXAH-UHFFFAOYSA-N 2 1 379.346 3.617 20 0 GHADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738334680 865521411 /nfs/dbraw/zinc/52/14/11/865521411.db2.gz JUQNXSGIRMRRLI-IAGOWNOFSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738334680 865521418 /nfs/dbraw/zinc/52/14/18/865521418.db2.gz JUQNXSGIRMRRLI-IAGOWNOFSA-N 2 1 387.351 3.683 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185193306 865670806 /nfs/dbraw/zinc/67/08/06/865670806.db2.gz UTLNQBXTCZZPAP-UHFFFAOYSA-N 2 1 394.491 3.506 20 0 GHADMP c1cc(C[NH+]2CC[C@]3(C2)CCCOC3)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000671253712 865733728 /nfs/dbraw/zinc/73/37/28/865733728.db2.gz ORSZRKHLTYBMDD-ZEQRLZLVSA-N 2 1 384.564 3.692 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000533986204 865885397 /nfs/dbraw/zinc/88/53/97/865885397.db2.gz NHBCYSZSOCGBCP-DWQJTFDBSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000533986204 865885401 /nfs/dbraw/zinc/88/54/01/865885401.db2.gz NHBCYSZSOCGBCP-DWQJTFDBSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000533986204 865885408 /nfs/dbraw/zinc/88/54/08/865885408.db2.gz NHBCYSZSOCGBCP-DWQJTFDBSA-N 2 1 398.595 3.728 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000174178288 865886010 /nfs/dbraw/zinc/88/60/10/865886010.db2.gz KYGPUUWRFMJPCN-HSZRJFAPSA-N 2 1 379.548 3.875 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1OCCO ZINC000481169232 865912467 /nfs/dbraw/zinc/91/24/67/865912467.db2.gz BUSMTAXWWJABPY-IPJJNNNSSA-N 2 1 398.547 3.628 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1OCCO ZINC000481169232 865912474 /nfs/dbraw/zinc/91/24/74/865912474.db2.gz BUSMTAXWWJABPY-IPJJNNNSSA-N 2 1 398.547 3.628 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481178689 865936180 /nfs/dbraw/zinc/93/61/80/865936180.db2.gz SVVQLGWKSZRTJK-GCJKJVERSA-N 2 1 381.520 3.524 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1cccs1 ZINC000174804532 865943212 /nfs/dbraw/zinc/94/32/12/865943212.db2.gz PHYGMYUSXKPCLO-YJBOKZPZSA-N 2 1 392.613 3.739 20 0 GHADMP CCOc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(Br)c1O ZINC000392060518 866142359 /nfs/dbraw/zinc/14/23/59/866142359.db2.gz WEYJBYADCQQCPC-UHFFFAOYSA-N 2 1 397.357 3.861 20 0 GHADMP CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475544726 866253277 /nfs/dbraw/zinc/25/32/77/866253277.db2.gz WIOQJEMKEYUQEN-HSZRJFAPSA-N 2 1 377.532 3.629 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCN(c4ccccc4)CC3)c2)CCO1 ZINC000153485207 866517847 /nfs/dbraw/zinc/51/78/47/866517847.db2.gz WECMHSZBPLXBGC-FQEVSTJZSA-N 2 1 379.548 3.666 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCN(c4ccccc4)CC3)c2)CCO1 ZINC000153485207 866517856 /nfs/dbraw/zinc/51/78/56/866517856.db2.gz WECMHSZBPLXBGC-FQEVSTJZSA-N 2 1 379.548 3.666 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414081015 866744117 /nfs/dbraw/zinc/74/41/17/866744117.db2.gz DSCGMBDIXWVBPH-PXNSSMCTSA-N 2 1 377.960 3.508 20 0 GHADMP FC(F)(F)C[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)C1 ZINC000444699395 867083580 /nfs/dbraw/zinc/08/35/80/867083580.db2.gz UBXQTDKYDVVRQX-KBPBESRZSA-N 2 1 376.385 3.552 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2cc(Br)ccc21 ZINC000479071467 867092803 /nfs/dbraw/zinc/09/28/03/867092803.db2.gz TWJXUDKPVUSLOE-APWZRJJASA-N 2 1 395.385 3.998 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479072717 867129169 /nfs/dbraw/zinc/12/91/69/867129169.db2.gz WMKLJXJZDPHOIW-IEBWSBKVSA-N 2 1 381.358 3.653 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)CC1 ZINC000553300349 867159682 /nfs/dbraw/zinc/15/96/82/867159682.db2.gz FUROQBCSPWMELE-UHFFFAOYSA-N 2 1 396.535 3.840 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)c2c1C ZINC000553331323 867193623 /nfs/dbraw/zinc/19/36/23/867193623.db2.gz FFUGKYSTUUMPLD-YJBOKZPZSA-N 2 1 399.608 3.967 20 0 GHADMP CCCCN(CC)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000523382299 867203033 /nfs/dbraw/zinc/20/30/33/867203033.db2.gz MBQMAOVSGDJLRR-UHFFFAOYSA-N 2 1 395.551 3.712 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)C1 ZINC000857158090 882065335 /nfs/dbraw/zinc/06/53/35/882065335.db2.gz MEHGBAWJJGFQIP-QZNHQXDQSA-N 2 1 381.564 3.585 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)C1 ZINC000857158090 882065300 /nfs/dbraw/zinc/06/53/00/882065300.db2.gz MEHGBAWJJGFQIP-QZNHQXDQSA-N 2 1 381.564 3.585 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)C1 ZINC000857158090 882065316 /nfs/dbraw/zinc/06/53/16/882065316.db2.gz MEHGBAWJJGFQIP-QZNHQXDQSA-N 2 1 381.564 3.585 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000553366816 867273634 /nfs/dbraw/zinc/27/36/34/867273634.db2.gz JRBLTOVXPYZMOQ-HXUWFJFHSA-N 2 1 394.991 3.895 20 0 GHADMP CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455925351 867295112 /nfs/dbraw/zinc/29/51/12/867295112.db2.gz NAWLQALTMUSDJC-GGAORHGYSA-N 2 1 392.547 3.974 20 0 GHADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(Br)c1 ZINC000154530770 867449815 /nfs/dbraw/zinc/44/98/15/867449815.db2.gz YRHDXFIZIYDBBC-IBGZPJMESA-N 2 1 382.390 3.908 20 0 GHADMP CCc1cccc(Cl)c1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000475700567 882097109 /nfs/dbraw/zinc/09/71/09/882097109.db2.gz NOALLWTXPVRFSV-UHFFFAOYSA-N 2 1 391.987 3.669 20 0 GHADMP CC[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[N@@H+](C)Cc1ccccc1 ZINC000457063998 867598732 /nfs/dbraw/zinc/59/87/32/867598732.db2.gz GFJHFWJAUXNXCT-LJQANCHMSA-N 2 1 399.501 3.772 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000523615713 867658283 /nfs/dbraw/zinc/65/82/83/867658283.db2.gz MREUPLVCWOBGOC-GOSISDBHSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000479411821 867734275 /nfs/dbraw/zinc/73/42/75/867734275.db2.gz RABUFPOUBNZYRY-CBQOVEMMSA-N 2 1 375.520 3.784 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000479411821 867734283 /nfs/dbraw/zinc/73/42/83/867734283.db2.gz RABUFPOUBNZYRY-CBQOVEMMSA-N 2 1 375.520 3.784 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000155254823 867837164 /nfs/dbraw/zinc/83/71/64/867837164.db2.gz GTIQPBWFWKEMMM-GPMSIDNRSA-N 2 1 395.385 3.816 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCC(C)(C)C2)[C@@H]1c1cccs1 ZINC000445138441 867855941 /nfs/dbraw/zinc/85/59/41/867855941.db2.gz QCMLNKPYVVWDLY-PKOBYXMFSA-N 2 1 392.613 3.552 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)[C@@H]1c1cccs1 ZINC000445138441 867855952 /nfs/dbraw/zinc/85/59/52/867855952.db2.gz QCMLNKPYVVWDLY-PKOBYXMFSA-N 2 1 392.613 3.552 20 0 GHADMP C[NH+]1CCC[C@@H](CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)[C@@H]1c1cccs1 ZINC000445138441 867855965 /nfs/dbraw/zinc/85/59/65/867855965.db2.gz QCMLNKPYVVWDLY-PKOBYXMFSA-N 2 1 392.613 3.552 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000523782700 867955353 /nfs/dbraw/zinc/95/53/53/867955353.db2.gz AJIPQMPUSNRUTI-YLJYHZDGSA-N 2 1 394.991 3.706 20 0 GHADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000479549254 868009022 /nfs/dbraw/zinc/00/90/22/868009022.db2.gz GGOHPGLZLSSANZ-INIZCTEOSA-N 2 1 386.989 3.878 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000523851278 868094926 /nfs/dbraw/zinc/09/49/26/868094926.db2.gz NEILLSQLZYVBEF-AUSIDOKSSA-N 2 1 379.548 3.980 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000523851278 868095003 /nfs/dbraw/zinc/09/50/03/868095003.db2.gz NEILLSQLZYVBEF-AUSIDOKSSA-N 2 1 379.548 3.980 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000743362793 868113211 /nfs/dbraw/zinc/11/32/11/868113211.db2.gz QWTNEBUMIPAPGQ-UHFFFAOYSA-N 2 1 378.520 3.846 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000479654814 868312443 /nfs/dbraw/zinc/31/24/43/868312443.db2.gz HYPKIXZEYIIZPY-CBQOVEMMSA-N 2 1 388.600 3.798 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553865675 868372818 /nfs/dbraw/zinc/37/28/18/868372818.db2.gz YVQBILRQPDBKSC-ICSRJNTNSA-N 2 1 398.595 3.826 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+](C2CCC2)C1 ZINC000553865675 868372832 /nfs/dbraw/zinc/37/28/32/868372832.db2.gz YVQBILRQPDBKSC-ICSRJNTNSA-N 2 1 398.595 3.826 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3Cc4ccccc43)CC2)c1C ZINC000553890830 868395989 /nfs/dbraw/zinc/39/59/89/868395989.db2.gz OEZXHAOXGUCIIY-FQEVSTJZSA-N 2 1 379.548 3.943 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3Cc4ccccc43)CC2)c1C ZINC000553890830 868396010 /nfs/dbraw/zinc/39/60/10/868396010.db2.gz OEZXHAOXGUCIIY-FQEVSTJZSA-N 2 1 379.548 3.943 20 0 GHADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[NH+]2Cc2ccccc21 ZINC000524017866 868398718 /nfs/dbraw/zinc/39/87/18/868398718.db2.gz UBXGDAYDCYYVCP-DHIUTWEWSA-N 2 1 389.543 3.910 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000524017866 868398732 /nfs/dbraw/zinc/39/87/32/868398732.db2.gz UBXGDAYDCYYVCP-DHIUTWEWSA-N 2 1 389.543 3.910 20 0 GHADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000524017866 868398747 /nfs/dbraw/zinc/39/87/47/868398747.db2.gz UBXGDAYDCYYVCP-DHIUTWEWSA-N 2 1 389.543 3.910 20 0 GHADMP CCOc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156951620 868511837 /nfs/dbraw/zinc/51/18/37/868511837.db2.gz QWVTXSVDDPDGNA-RXVVDRJESA-N 2 1 395.547 3.633 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000445812075 869014535 /nfs/dbraw/zinc/01/45/35/869014535.db2.gz UCNXGVFPYSDWBW-UHFFFAOYSA-N 2 1 388.531 3.582 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000445812075 869014546 /nfs/dbraw/zinc/01/45/46/869014546.db2.gz UCNXGVFPYSDWBW-UHFFFAOYSA-N 2 1 388.531 3.582 20 0 GHADMP CCc1ccccc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000445811472 869014899 /nfs/dbraw/zinc/01/48/99/869014899.db2.gz RSVIAYPSYOBBOU-UHFFFAOYSA-N 2 1 393.575 3.709 20 0 GHADMP C(CCN1CCC[N@H+](C2CCCC2)CC1)CN1CCC[NH+](C2CCCC2)CC1 ZINC000172659094 882284049 /nfs/dbraw/zinc/28/40/49/882284049.db2.gz OLDMVHNXZRLDLV-UHFFFAOYSA-N 2 1 390.660 3.667 20 0 GHADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121814924 882292770 /nfs/dbraw/zinc/29/27/70/882292770.db2.gz YLNMXPPVMXOXTK-SFHVURJKSA-N 2 1 385.552 3.804 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000429544014 882313920 /nfs/dbraw/zinc/31/39/20/882313920.db2.gz ZPIPFCOOCJEQHX-UXHICEINSA-N 2 1 384.520 3.635 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000429544014 882313941 /nfs/dbraw/zinc/31/39/41/882313941.db2.gz ZPIPFCOOCJEQHX-UXHICEINSA-N 2 1 384.520 3.635 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000462799814 870117155 /nfs/dbraw/zinc/11/71/55/870117155.db2.gz YCBRJLHCPBKTRG-TUACAJSNSA-N 2 1 385.596 3.509 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1)CC1CC1 ZINC000540010469 870222604 /nfs/dbraw/zinc/22/26/04/870222604.db2.gz RXZZQOWQBYFLMQ-GOSISDBHSA-N 2 1 380.621 3.506 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000461468769 870248513 /nfs/dbraw/zinc/24/85/13/870248513.db2.gz FEDOZWWQQUHBJH-JOCHJYFZSA-N 2 1 379.548 3.780 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccccc3Br)C2)CC1 ZINC000525267699 870274193 /nfs/dbraw/zinc/27/41/93/870274193.db2.gz MRDSLCVJWICWJI-IAGOWNOFSA-N 2 1 380.374 3.610 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540045837 870298530 /nfs/dbraw/zinc/29/85/30/870298530.db2.gz QTPJXQKKXYYYLQ-HXUWFJFHSA-N 2 1 394.563 3.840 20 0 GHADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000446761160 870350233 /nfs/dbraw/zinc/35/02/33/870350233.db2.gz XKNMLKAJVNCWBD-XMMPIXPASA-N 2 1 382.548 3.850 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000538724234 870430875 /nfs/dbraw/zinc/43/08/75/870430875.db2.gz YVOHIBASCORRPD-JTSKRJEESA-N 2 1 385.527 3.852 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000538724234 870430881 /nfs/dbraw/zinc/43/08/81/870430881.db2.gz YVOHIBASCORRPD-JTSKRJEESA-N 2 1 385.527 3.852 20 0 GHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248465017 870443579 /nfs/dbraw/zinc/44/35/79/870443579.db2.gz ZVZAHLQEYBRNTE-MHECFPHRSA-N 2 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000248465017 870443586 /nfs/dbraw/zinc/44/35/86/870443586.db2.gz ZVZAHLQEYBRNTE-MHECFPHRSA-N 3 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248465017 870443597 /nfs/dbraw/zinc/44/35/97/870443597.db2.gz ZVZAHLQEYBRNTE-MHECFPHRSA-N 3 1 390.531 3.598 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248544402 870481145 /nfs/dbraw/zinc/48/11/45/870481145.db2.gz CWQSUQNZZONUEZ-JTJHWIPRSA-N 2 1 383.580 3.985 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248544402 870481156 /nfs/dbraw/zinc/48/11/56/870481156.db2.gz CWQSUQNZZONUEZ-JTJHWIPRSA-N 2 1 383.580 3.985 20 0 GHADMP C[C@H](N[C@@H](C(=O)N1CCCCC1)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248567934 870496841 /nfs/dbraw/zinc/49/68/41/870496841.db2.gz LINRWYIKJUQHMI-IEIRFRATSA-N 2 1 383.580 3.983 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2ccccn2)c1C ZINC000122117192 882423249 /nfs/dbraw/zinc/42/32/49/882423249.db2.gz YVQYPXVELBKLEP-HXUWFJFHSA-N 2 1 394.563 3.545 20 0 GHADMP Cc1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000248714370 870601409 /nfs/dbraw/zinc/60/14/09/870601409.db2.gz KCZOMLRNVZYQOI-XXBNENTESA-N 2 1 394.563 3.818 20 0 GHADMP Cc1ccc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000248714359 870602108 /nfs/dbraw/zinc/60/21/08/870602108.db2.gz KCZOMLRNVZYQOI-AUSIDOKSSA-N 2 1 394.563 3.818 20 0 GHADMP CCCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000538798294 870629073 /nfs/dbraw/zinc/62/90/73/870629073.db2.gz YCUDHVQXZHRKDL-IRFCIJBXSA-N 2 1 376.541 3.558 20 0 GHADMP CCCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000538798294 870629075 /nfs/dbraw/zinc/62/90/75/870629075.db2.gz YCUDHVQXZHRKDL-IRFCIJBXSA-N 2 1 376.541 3.558 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000538799188 870630337 /nfs/dbraw/zinc/63/03/37/870630337.db2.gz SCTPQYBAONFBLC-QFBILLFUSA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000538799188 870630343 /nfs/dbraw/zinc/63/03/43/870630343.db2.gz SCTPQYBAONFBLC-QFBILLFUSA-N 2 1 398.503 3.677 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000538799188 870630349 /nfs/dbraw/zinc/63/03/49/870630349.db2.gz SCTPQYBAONFBLC-QFBILLFUSA-N 2 1 398.503 3.677 20 0 GHADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000248785641 870632820 /nfs/dbraw/zinc/63/28/20/870632820.db2.gz WDSNFNRLWUCYST-DNQXCXABSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248785641 870632833 /nfs/dbraw/zinc/63/28/33/870632833.db2.gz WDSNFNRLWUCYST-DNQXCXABSA-N 2 1 391.559 3.537 20 0 GHADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000248785641 870632847 /nfs/dbraw/zinc/63/28/47/870632847.db2.gz WDSNFNRLWUCYST-DNQXCXABSA-N 2 1 391.559 3.537 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000540156085 870642714 /nfs/dbraw/zinc/64/27/14/870642714.db2.gz FOJJYNJSBTUVGQ-APWZRJJASA-N 2 1 393.453 3.979 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CCSc3ccc(OC)cc32)[C@@H](C)C1 ZINC000248819311 870650265 /nfs/dbraw/zinc/65/02/65/870650265.db2.gz IWWIBBVMHKGADR-VDGAXYAQSA-N 2 1 378.582 3.959 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCSc3ccc(OC)cc32)[C@@H](C)C1 ZINC000248819311 870650275 /nfs/dbraw/zinc/65/02/75/870650275.db2.gz IWWIBBVMHKGADR-VDGAXYAQSA-N 2 1 378.582 3.959 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000538850118 870737043 /nfs/dbraw/zinc/73/70/43/870737043.db2.gz NYOXCCQWHQWKMR-LJQANCHMSA-N 3 1 393.019 3.694 20 0 GHADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)C1 ZINC000538850118 870737046 /nfs/dbraw/zinc/73/70/46/870737046.db2.gz NYOXCCQWHQWKMR-LJQANCHMSA-N 2 1 393.019 3.694 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2N2CCN(C)CC2)C1 ZINC000538850118 870737049 /nfs/dbraw/zinc/73/70/49/870737049.db2.gz NYOXCCQWHQWKMR-LJQANCHMSA-N 2 1 393.019 3.694 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001170438309 882439763 /nfs/dbraw/zinc/43/97/63/882439763.db2.gz RDBJRJRZSYAXMR-OTWHNJEPSA-N 2 1 384.545 3.862 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1C[C@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001170438309 882439770 /nfs/dbraw/zinc/43/97/70/882439770.db2.gz RDBJRJRZSYAXMR-OTWHNJEPSA-N 2 1 384.545 3.862 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2C1 ZINC001170438309 882439781 /nfs/dbraw/zinc/43/97/81/882439781.db2.gz RDBJRJRZSYAXMR-OTWHNJEPSA-N 2 1 384.545 3.862 20 0 GHADMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH+]1C[C@H]2C[N@H+](Cc3cccs3)C[C@H]2C1 ZINC001170438309 882439792 /nfs/dbraw/zinc/43/97/92/882439792.db2.gz RDBJRJRZSYAXMR-OTWHNJEPSA-N 2 1 384.545 3.862 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)C2=O)c(C)c1 ZINC001192918284 870771776 /nfs/dbraw/zinc/77/17/76/870771776.db2.gz KWNIUUXMDSVELX-QFIPXVFZSA-N 2 1 379.548 3.911 20 0 GHADMP Cc1cc(C)c(N2CC[C@H]([N@H+](C)Cc3ccc(C[NH+](C)C)cc3)C2=O)c(C)c1 ZINC001192918284 870771785 /nfs/dbraw/zinc/77/17/85/870771785.db2.gz KWNIUUXMDSVELX-QFIPXVFZSA-N 2 1 379.548 3.911 20 0 GHADMP CSc1ccccc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249580548 870867529 /nfs/dbraw/zinc/86/75/29/870867529.db2.gz NGPKWSPVGVWVBY-FXAWDEMLSA-N 2 1 397.588 3.957 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1)CC1CC1 ZINC000538915844 870873334 /nfs/dbraw/zinc/87/33/34/870873334.db2.gz YUASPGKRSBDANE-UHFFFAOYSA-N 2 1 392.632 3.652 20 0 GHADMP COC(=O)CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000463146907 870975592 /nfs/dbraw/zinc/97/55/92/870975592.db2.gz OWUYSVBAPBXWGZ-QHCPKHFHSA-N 2 1 380.532 3.978 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463137271 870985432 /nfs/dbraw/zinc/98/54/32/870985432.db2.gz JVDCCJCOOZNWDF-SIKLNZKXSA-N 2 1 377.532 3.956 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000463137271 870985443 /nfs/dbraw/zinc/98/54/43/870985443.db2.gz JVDCCJCOOZNWDF-SIKLNZKXSA-N 2 1 377.532 3.956 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@H]1CCCC[C@H]1C ZINC001193413641 871096829 /nfs/dbraw/zinc/09/68/29/871096829.db2.gz PBBFDNGQVHMTKK-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCC[C@H]1C ZINC001193413641 871096842 /nfs/dbraw/zinc/09/68/42/871096842.db2.gz PBBFDNGQVHMTKK-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCC[C@H]1C ZINC001193413641 871096866 /nfs/dbraw/zinc/09/68/66/871096866.db2.gz PBBFDNGQVHMTKK-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CC(C)C[C@@H](Cc1ccccc1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001169058382 871146368 /nfs/dbraw/zinc/14/63/68/871146368.db2.gz GZIUDSHEBCRNSJ-FQEVSTJZSA-N 2 1 389.584 3.962 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCC3(CCC(=O)N3Cc3cccc(F)c3)CC1)C2 ZINC001169096461 871169961 /nfs/dbraw/zinc/16/99/61/871169961.db2.gz XBEFGRRANAELHP-VXEKKEJVSA-N 2 1 399.554 3.844 20 0 GHADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241638 871240661 /nfs/dbraw/zinc/24/06/61/871240661.db2.gz CWWVZCUOKAOLEC-DVJXIFHOSA-N 2 1 391.559 3.819 20 0 GHADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC(=O)N1Cc1ccccc1 ZINC000463241638 871240672 /nfs/dbraw/zinc/24/06/72/871240672.db2.gz CWWVZCUOKAOLEC-DVJXIFHOSA-N 2 1 391.559 3.819 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000539066645 871241419 /nfs/dbraw/zinc/24/14/19/871241419.db2.gz PIYUMUFFZDGGSH-SMDDNHRTSA-N 2 1 395.263 3.777 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461911100 871250062 /nfs/dbraw/zinc/25/00/62/871250062.db2.gz QMWVUQQWGPQXCB-QGZVFWFLSA-N 2 1 382.508 3.897 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000461911100 871250081 /nfs/dbraw/zinc/25/00/81/871250081.db2.gz QMWVUQQWGPQXCB-QGZVFWFLSA-N 2 1 382.508 3.897 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(Cc4cc(Br)ccc4O3)CC1)C2 ZINC001169152688 871265853 /nfs/dbraw/zinc/26/58/53/871265853.db2.gz CPYFTDVGCXLMAI-BCDXTJNWSA-N 2 1 391.353 3.844 20 0 GHADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160032 871271741 /nfs/dbraw/zinc/27/17/41/871271741.db2.gz AJCYZGNTKWCGLY-YRPNKDGESA-N 2 1 377.573 3.866 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160032 871271761 /nfs/dbraw/zinc/27/17/61/871271761.db2.gz AJCYZGNTKWCGLY-YRPNKDGESA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160032 871271778 /nfs/dbraw/zinc/27/17/78/871271778.db2.gz AJCYZGNTKWCGLY-YRPNKDGESA-N 2 1 377.573 3.866 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001169160032 871271794 /nfs/dbraw/zinc/27/17/94/871271794.db2.gz AJCYZGNTKWCGLY-YRPNKDGESA-N 2 1 377.573 3.866 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000091335385 871273947 /nfs/dbraw/zinc/27/39/47/871273947.db2.gz QEPNYCPUOWGWQT-XZOQPEGZSA-N 2 1 379.548 3.871 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)CC1 ZINC001169253784 871351057 /nfs/dbraw/zinc/35/10/57/871351057.db2.gz ISXNREVPVNATAG-IBGZPJMESA-N 2 1 395.591 3.661 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)[C@H](C)C1 ZINC000122288861 882502608 /nfs/dbraw/zinc/50/26/08/882502608.db2.gz ARLKAQDNAWXVSY-MSYCTHLASA-N 2 1 384.568 3.968 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1)CC(C)C ZINC000539168926 871454205 /nfs/dbraw/zinc/45/42/05/871454205.db2.gz CAKIBRQWERLFOA-FRIKZZABSA-N 2 1 392.632 3.791 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1)CC(C)C ZINC000539168926 871454213 /nfs/dbraw/zinc/45/42/13/871454213.db2.gz CAKIBRQWERLFOA-FRIKZZABSA-N 2 1 392.632 3.791 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1)CC(C)C ZINC000539168926 871454224 /nfs/dbraw/zinc/45/42/24/871454224.db2.gz CAKIBRQWERLFOA-FRIKZZABSA-N 2 1 392.632 3.791 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CC[C@H]1C[NH3+] ZINC001205653700 871504918 /nfs/dbraw/zinc/50/49/18/871504918.db2.gz UKFVJDXGJUAFLJ-QWRGUYRKSA-N 2 1 380.252 3.670 20 0 GHADMP Cc1cc(C)c(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cc1C ZINC000069783389 871509765 /nfs/dbraw/zinc/50/97/65/871509765.db2.gz CRXQVCUXJIAXBA-UHFFFAOYSA-N 2 1 395.547 3.562 20 0 GHADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000539288149 871641951 /nfs/dbraw/zinc/64/19/51/871641951.db2.gz CKRUNCDHLOCLSJ-ONTIZHBOSA-N 2 1 379.548 3.733 20 0 GHADMP CCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000462118420 871647267 /nfs/dbraw/zinc/64/72/67/871647267.db2.gz WCSCFPRYMQRVRU-ZEQRLZLVSA-N 2 1 393.575 3.885 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1C1CCCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506895367 871683917 /nfs/dbraw/zinc/68/39/17/871683917.db2.gz ZTSGHHDEBQBTMC-NRFANRHFSA-N 2 1 387.593 3.829 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001169727402 871802844 /nfs/dbraw/zinc/80/28/44/871802844.db2.gz ABHFJPBUMKPOHB-HUVFLSCGSA-N 2 1 391.559 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001169727402 871802862 /nfs/dbraw/zinc/80/28/62/871802862.db2.gz ABHFJPBUMKPOHB-HUVFLSCGSA-N 2 1 391.559 3.934 20 0 GHADMP O=C1OCCN1CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001194942105 872048369 /nfs/dbraw/zinc/04/83/69/872048369.db2.gz LWTSMQACIBMYJC-QFIPXVFZSA-N 2 1 385.552 3.595 20 0 GHADMP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000093604557 872290191 /nfs/dbraw/zinc/29/01/91/872290191.db2.gz NKWLBIZUTRQIKG-FQEVSTJZSA-N 2 1 387.531 3.852 20 0 GHADMP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000093604557 872290195 /nfs/dbraw/zinc/29/01/95/872290195.db2.gz NKWLBIZUTRQIKG-FQEVSTJZSA-N 2 1 387.531 3.852 20 0 GHADMP C[C@H]1C[C@H](N(C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000093643712 872312557 /nfs/dbraw/zinc/31/25/57/872312557.db2.gz OFCYASHHDYDXPM-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CCN1C ZINC000093643712 872312572 /nfs/dbraw/zinc/31/25/72/872312572.db2.gz OFCYASHHDYDXPM-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CCN1C ZINC000093643712 872312591 /nfs/dbraw/zinc/31/25/91/872312591.db2.gz OFCYASHHDYDXPM-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000093643712 872312605 /nfs/dbraw/zinc/31/26/05/872312605.db2.gz OFCYASHHDYDXPM-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000093643712 872312618 /nfs/dbraw/zinc/31/26/18/872312618.db2.gz OFCYASHHDYDXPM-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[NH+]1C ZINC000093643712 872312631 /nfs/dbraw/zinc/31/26/31/872312631.db2.gz OFCYASHHDYDXPM-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[NH+]1C ZINC000093643712 872312650 /nfs/dbraw/zinc/31/26/50/872312650.db2.gz OFCYASHHDYDXPM-DZGCQCFKSA-N 2 1 383.330 3.525 20 0 GHADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552282396 872344169 /nfs/dbraw/zinc/34/41/69/872344169.db2.gz CKFUJXCBGCJURL-KZNAEPCWSA-N 2 1 381.358 3.853 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000619177510 872395310 /nfs/dbraw/zinc/39/53/10/872395310.db2.gz RABUOLQVUOCPPE-UHFFFAOYSA-N 2 1 388.471 3.878 20 0 GHADMP CC[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818818 872440569 /nfs/dbraw/zinc/44/05/69/872440569.db2.gz CFPRTBRCDUFLDA-FQEVSTJZSA-N 2 1 375.520 3.816 20 0 GHADMP CC[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818818 872440576 /nfs/dbraw/zinc/44/05/76/872440576.db2.gz CFPRTBRCDUFLDA-FQEVSTJZSA-N 2 1 375.520 3.816 20 0 GHADMP CC[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818818 872440579 /nfs/dbraw/zinc/44/05/79/872440579.db2.gz CFPRTBRCDUFLDA-FQEVSTJZSA-N 2 1 375.520 3.816 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000619360604 872575532 /nfs/dbraw/zinc/57/55/32/872575532.db2.gz HXNOVFIQKGXWCJ-RBUKOAKNSA-N 2 1 394.629 3.722 20 0 GHADMP CC[NH+](CC)CCCNC(=S)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001196679232 873280396 /nfs/dbraw/zinc/28/03/96/873280396.db2.gz TWGFNAUCOGKVSB-UHFFFAOYSA-N 2 1 398.620 3.564 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)s1 ZINC000527640890 873392387 /nfs/dbraw/zinc/39/23/87/873392387.db2.gz HUUYTXMMJYBYLC-UHFFFAOYSA-N 2 1 395.370 3.865 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448449339 873400609 /nfs/dbraw/zinc/40/06/09/873400609.db2.gz PYQOLIVJXHEINM-PMOQBDJRSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448449339 873400610 /nfs/dbraw/zinc/40/06/10/873400610.db2.gz PYQOLIVJXHEINM-PMOQBDJRSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448449339 873400620 /nfs/dbraw/zinc/40/06/20/873400620.db2.gz PYQOLIVJXHEINM-PMOQBDJRSA-N 2 1 399.554 3.656 20 0 GHADMP O=C([C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448449339 873400626 /nfs/dbraw/zinc/40/06/26/873400626.db2.gz PYQOLIVJXHEINM-PMOQBDJRSA-N 2 1 399.554 3.656 20 0 GHADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCCC1 ZINC000448464934 873423103 /nfs/dbraw/zinc/42/31/03/873423103.db2.gz IMGOORAPFYETAZ-FCEUIQTBSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527655063 873450573 /nfs/dbraw/zinc/45/05/73/873450573.db2.gz XUAOOAZASWEPDR-LLVKDONJSA-N 2 1 394.342 3.832 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccsc1Br ZINC000527690627 873458104 /nfs/dbraw/zinc/45/81/04/873458104.db2.gz ISJLHWPEZYLFQS-KRWDZBQOSA-N 2 1 395.366 3.757 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccsc1Br ZINC000527690627 873458111 /nfs/dbraw/zinc/45/81/11/873458111.db2.gz ISJLHWPEZYLFQS-KRWDZBQOSA-N 2 1 395.366 3.757 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccsc1Br ZINC000527690627 873458117 /nfs/dbraw/zinc/45/81/17/873458117.db2.gz ISJLHWPEZYLFQS-KRWDZBQOSA-N 2 1 395.366 3.757 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000541384685 873488425 /nfs/dbraw/zinc/48/84/25/873488425.db2.gz ZYRSSFRUHUZQON-DENIHFKCSA-N 3 1 389.547 3.966 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000541384685 873488433 /nfs/dbraw/zinc/48/84/33/873488433.db2.gz ZYRSSFRUHUZQON-DENIHFKCSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000541384685 873488442 /nfs/dbraw/zinc/48/84/42/873488442.db2.gz ZYRSSFRUHUZQON-DENIHFKCSA-N 2 1 389.547 3.966 20 0 GHADMP CC1CC[NH+](CCCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000541407172 873496395 /nfs/dbraw/zinc/49/63/95/873496395.db2.gz MHTTVDIWHFXZGK-FQEVSTJZSA-N 2 1 386.584 3.731 20 0 GHADMP Cc1cc(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)ccc1Br ZINC001197283880 873710692 /nfs/dbraw/zinc/71/06/92/873710692.db2.gz GIXJRUSIHVSEFN-UHFFFAOYSA-N 2 1 396.373 3.894 20 0 GHADMP Cc1cc(NC(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)ccc1Br ZINC001197283880 873710703 /nfs/dbraw/zinc/71/07/03/873710703.db2.gz GIXJRUSIHVSEFN-UHFFFAOYSA-N 2 1 396.373 3.894 20 0 GHADMP C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899387 873734956 /nfs/dbraw/zinc/73/49/56/873734956.db2.gz VGVCNMXKRZBBKE-QWHCGFSZSA-N 2 1 391.300 3.879 20 0 GHADMP C[C@H](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+]1CCCCC1 ZINC000541519939 873764859 /nfs/dbraw/zinc/76/48/59/873764859.db2.gz MSMRSEUBXBPTCB-LEWJYISDSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)cc2)C1 ZINC000448723149 873817247 /nfs/dbraw/zinc/81/72/47/873817247.db2.gz GWBNGTSKHBOTJE-QGZVFWFLSA-N 2 1 375.476 3.752 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)cc2)C1 ZINC000448723149 873817254 /nfs/dbraw/zinc/81/72/54/873817254.db2.gz GWBNGTSKHBOTJE-QGZVFWFLSA-N 2 1 375.476 3.752 20 0 GHADMP C[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000476658724 882805369 /nfs/dbraw/zinc/80/53/69/882805369.db2.gz RLNOWNIJJPCCOS-TZIWHRDSSA-N 2 1 398.551 3.626 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000541763498 874231326 /nfs/dbraw/zinc/23/13/26/874231326.db2.gz OHAXNCCLWSDOKG-QMMLZNLJSA-N 2 1 399.966 3.627 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](Cc2ccccc2Cl)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000541763498 874231339 /nfs/dbraw/zinc/23/13/39/874231339.db2.gz OHAXNCCLWSDOKG-QMMLZNLJSA-N 2 1 399.966 3.627 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC001198467870 874421435 /nfs/dbraw/zinc/42/14/35/874421435.db2.gz FLEGSSIQZWWBMU-UHFFFAOYSA-N 2 1 383.565 3.940 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000541915719 874519078 /nfs/dbraw/zinc/51/90/78/874519078.db2.gz XMAAOTPDCBCQRD-SELNLUPBSA-N 2 1 382.548 3.934 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000449155922 874544340 /nfs/dbraw/zinc/54/43/40/874544340.db2.gz CMGWXTIABRAFRM-DNVCBOLYSA-N 2 1 375.538 3.734 20 0 GHADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[nH]c1C ZINC000449155922 874544344 /nfs/dbraw/zinc/54/43/44/874544344.db2.gz CMGWXTIABRAFRM-DNVCBOLYSA-N 2 1 375.538 3.734 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000464835607 874571902 /nfs/dbraw/zinc/57/19/02/874571902.db2.gz QPZYQAXAIQTWJD-BJKOFHAPSA-N 2 1 396.575 3.805 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000464835607 874571909 /nfs/dbraw/zinc/57/19/09/874571909.db2.gz QPZYQAXAIQTWJD-BJKOFHAPSA-N 2 1 396.575 3.805 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000464835607 874571918 /nfs/dbraw/zinc/57/19/18/874571918.db2.gz QPZYQAXAIQTWJD-BJKOFHAPSA-N 2 1 396.575 3.805 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000770322291 874597721 /nfs/dbraw/zinc/59/77/21/874597721.db2.gz BZLSSCMUHWJENE-GMAHTHKFSA-N 2 1 386.511 3.854 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(F)c3Br)CC2)nc(C)[nH+]1 ZINC000449228522 874618882 /nfs/dbraw/zinc/61/88/82/874618882.db2.gz YVXPMTYZMXVWDC-UHFFFAOYSA-N 2 1 393.304 3.754 20 0 GHADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858101007 882846880 /nfs/dbraw/zinc/84/68/80/882846880.db2.gz WMDBKZRSRCSBND-AEFFLSMTSA-N 2 1 391.556 3.723 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1C[NH+]1CCC[C@H]2COCC[C@H]21 ZINC000464848749 874633970 /nfs/dbraw/zinc/63/39/70/874633970.db2.gz AZXJLYHUNWGJTA-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)ccc1C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464848749 874633980 /nfs/dbraw/zinc/63/39/80/874633980.db2.gz AZXJLYHUNWGJTA-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)ccc1C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464848749 874633988 /nfs/dbraw/zinc/63/39/88/874633988.db2.gz AZXJLYHUNWGJTA-NVPYSNMXSA-N 2 1 384.564 3.688 20 0 GHADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449261653 874674555 /nfs/dbraw/zinc/67/45/55/874674555.db2.gz DKEUFWDISWCCMO-OALUTQOASA-N 2 1 376.589 3.909 20 0 GHADMP COc1cccc2c(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cccc12 ZINC000449326386 874708610 /nfs/dbraw/zinc/70/86/10/874708610.db2.gz VGHMCJQDDSKMKK-WCRBZPEASA-N 2 1 379.548 3.591 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000449327230 874710685 /nfs/dbraw/zinc/71/06/85/874710685.db2.gz BZFPKGCNNKRLIC-UHFFFAOYSA-N 2 1 396.304 3.604 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[N@H+]1C ZINC000528657594 874843805 /nfs/dbraw/zinc/84/38/05/874843805.db2.gz RQFKLLYQKGGUMF-FDTGPBLFSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC000528657594 874843812 /nfs/dbraw/zinc/84/38/12/874843812.db2.gz RQFKLLYQKGGUMF-FDTGPBLFSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC[NH+]1C ZINC000528657594 874843822 /nfs/dbraw/zinc/84/38/22/874843822.db2.gz RQFKLLYQKGGUMF-FDTGPBLFSA-N 2 1 383.580 3.524 20 0 GHADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC000528700498 874913129 /nfs/dbraw/zinc/91/31/29/874913129.db2.gz JKUJCEAASZMCDF-OEMFJLHTSA-N 2 1 397.607 3.725 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC000528700498 874913140 /nfs/dbraw/zinc/91/31/40/874913140.db2.gz JKUJCEAASZMCDF-OEMFJLHTSA-N 2 1 397.607 3.725 20 0 GHADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1 ZINC000528700498 874913151 /nfs/dbraw/zinc/91/31/51/874913151.db2.gz JKUJCEAASZMCDF-OEMFJLHTSA-N 2 1 397.607 3.725 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199371671 874950905 /nfs/dbraw/zinc/95/09/05/874950905.db2.gz YCIPGMCXQSAWHH-JOCHJYFZSA-N 2 1 392.547 3.712 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199371671 874950913 /nfs/dbraw/zinc/95/09/13/874950913.db2.gz YCIPGMCXQSAWHH-JOCHJYFZSA-N 2 1 392.547 3.712 20 0 GHADMP CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449511091 874977476 /nfs/dbraw/zinc/97/74/76/874977476.db2.gz YGUWXUKKDSRFLJ-FQEVSTJZSA-N 2 1 397.563 3.761 20 0 GHADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449511091 874977480 /nfs/dbraw/zinc/97/74/80/874977480.db2.gz YGUWXUKKDSRFLJ-FQEVSTJZSA-N 2 1 397.563 3.761 20 0 GHADMP CCc1oc2ccccc2c1C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449511091 874977484 /nfs/dbraw/zinc/97/74/84/874977484.db2.gz YGUWXUKKDSRFLJ-FQEVSTJZSA-N 2 1 397.563 3.761 20 0 GHADMP CCc1oc2ccccc2c1C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449511091 874977487 /nfs/dbraw/zinc/97/74/87/874977487.db2.gz YGUWXUKKDSRFLJ-FQEVSTJZSA-N 2 1 397.563 3.761 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@H](c4ccncc4)C3)CC2)cc1 ZINC000449537092 875018634 /nfs/dbraw/zinc/01/86/34/875018634.db2.gz JENWJBCLTGRRFU-PKTZIBPZSA-N 2 1 383.511 3.738 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC001199743606 875161127 /nfs/dbraw/zinc/16/11/27/875161127.db2.gz XNTVUCZPRZSIBU-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2OC(F)F)C1 ZINC001199743606 875161130 /nfs/dbraw/zinc/16/11/30/875161130.db2.gz XNTVUCZPRZSIBU-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449652394 875183471 /nfs/dbraw/zinc/18/34/71/875183471.db2.gz AUAQEKWVXLADBA-LKZJFHPWSA-N 2 1 396.579 3.880 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000303418680 875578538 /nfs/dbraw/zinc/57/85/38/875578538.db2.gz CCIPHUCCDXQYLC-XXBNENTESA-N 2 1 379.548 3.633 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000303418680 875578552 /nfs/dbraw/zinc/57/85/52/875578552.db2.gz CCIPHUCCDXQYLC-XXBNENTESA-N 2 1 379.548 3.633 20 0 GHADMP O[C@@H](COc1ccccc1F)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475739435 882950546 /nfs/dbraw/zinc/95/05/46/882950546.db2.gz OFIJOUYZWSYUAC-QPPBQGQZSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccccc1F)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475739435 882950561 /nfs/dbraw/zinc/95/05/61/882950561.db2.gz OFIJOUYZWSYUAC-QPPBQGQZSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccccc1F)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475739435 882950576 /nfs/dbraw/zinc/95/05/76/882950576.db2.gz OFIJOUYZWSYUAC-QPPBQGQZSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@@H](COc1ccccc1F)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475739435 882950589 /nfs/dbraw/zinc/95/05/89/882950589.db2.gz OFIJOUYZWSYUAC-QPPBQGQZSA-N 2 1 398.522 3.554 20 0 GHADMP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001201502087 875722777 /nfs/dbraw/zinc/72/27/77/875722777.db2.gz GHAFCPPJBIBUTL-NHCUHLMSSA-N 2 1 397.607 3.718 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000303540336 875769307 /nfs/dbraw/zinc/76/93/07/875769307.db2.gz FZQZLLWHZYRFCS-IBGZPJMESA-N 2 1 392.613 3.524 20 0 GHADMP CC[C@@H](CC(F)(F)F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450062504 875883486 /nfs/dbraw/zinc/88/34/86/875883486.db2.gz UVELOSSIVAVCSJ-KRWDZBQOSA-N 2 1 391.522 3.620 20 0 GHADMP CC(=O)N(C)c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000858250097 882976732 /nfs/dbraw/zinc/97/67/32/882976732.db2.gz BDHBDNKSIJMSQO-UHFFFAOYSA-N 2 1 383.511 3.605 20 0 GHADMP Cc1c2ccccc2sc1[C@@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001201902053 875917200 /nfs/dbraw/zinc/91/72/00/875917200.db2.gz SUCQWZHWNWIZLR-MRXNPFEDSA-N 2 1 381.549 3.602 20 0 GHADMP CC(C)Oc1cc(Cl)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC001202151320 876049572 /nfs/dbraw/zinc/04/95/72/876049572.db2.gz SVAOSVQNSCXUJF-UHFFFAOYSA-N 2 1 388.383 3.896 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C(=O)OC)cc1 ZINC000550998914 882994724 /nfs/dbraw/zinc/99/47/24/882994724.db2.gz BQEIXLWUMXIUTA-JOCHJYFZSA-N 2 1 382.504 3.546 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(CC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000509463923 876156082 /nfs/dbraw/zinc/15/60/82/876156082.db2.gz MFTSIFHKLZQRAN-HKUYNNGSSA-N 2 1 383.502 3.903 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(OC)c(OC)c3)cc2)CC1 ZINC000173327083 876322449 /nfs/dbraw/zinc/32/24/49/876322449.db2.gz OGNXDBCTWNUNSK-IBGZPJMESA-N 2 1 397.563 3.692 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CC(F)(F)C1 ZINC000529585386 876359597 /nfs/dbraw/zinc/35/95/97/876359597.db2.gz GFKCJAYQDXFOEW-XLIONFOSSA-N 2 1 378.507 3.939 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)cc1 ZINC000192917825 883046437 /nfs/dbraw/zinc/04/64/37/883046437.db2.gz ADWKNBQBPNVGTQ-UPVQGACJSA-N 2 1 380.532 3.856 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000858347624 883040459 /nfs/dbraw/zinc/04/04/59/883040459.db2.gz DRCQIHUZIJTZTI-PMACEKPBSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC[N@H+]1C ZINC000173816442 876662246 /nfs/dbraw/zinc/66/22/46/876662246.db2.gz ZDRHRYKFIOSSCP-AHRSYUTCSA-N 2 1 392.975 3.601 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000109355899 876940386 /nfs/dbraw/zinc/94/03/86/876940386.db2.gz XYWFKNFWRQDQPE-QHCPKHFHSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(OCc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000786968875 877057895 /nfs/dbraw/zinc/05/78/95/877057895.db2.gz TZITUEUTOJVSLP-XPWALMASSA-N 2 1 378.516 3.730 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551029853 883096666 /nfs/dbraw/zinc/09/66/66/883096666.db2.gz BGZWPABYBHAEMB-UPVQGACJSA-N 3 1 381.564 3.942 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551029853 883096676 /nfs/dbraw/zinc/09/66/76/883096676.db2.gz BGZWPABYBHAEMB-UPVQGACJSA-N 3 1 381.564 3.942 20 0 GHADMP C[NH+](C)CCn1cc(NC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000130436311 877311860 /nfs/dbraw/zinc/31/18/60/877311860.db2.gz YSHPVOFAWSLCFA-UHFFFAOYSA-N 2 1 398.555 3.853 20 0 GHADMP Fc1cccc(F)c1-c1csc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000530243003 877353621 /nfs/dbraw/zinc/35/36/21/877353621.db2.gz WDSCOHVTOYFFSA-OAHLLOKOSA-N 2 1 393.503 3.679 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000551538708 877406119 /nfs/dbraw/zinc/40/61/19/877406119.db2.gz MEWBVBHSOJYSOD-NTUVXCKYSA-N 2 1 380.532 3.809 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1CCC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001183066484 912259882 /nfs/dbraw/zinc/25/98/82/912259882.db2.gz ZCDUDIFICZOVBA-RTBURBONSA-N 2 1 397.604 3.503 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477624919 877939719 /nfs/dbraw/zinc/93/97/19/877939719.db2.gz HWRVFMZWLNLZBE-QIIPPGSGSA-N 2 1 383.939 3.755 20 0 GHADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCc1c[nH+]cn1C ZINC000530513388 877985062 /nfs/dbraw/zinc/98/50/62/877985062.db2.gz SMNIRBSIXRZJFA-CQSZACIVSA-N 2 1 388.309 3.935 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000245547918 878085410 /nfs/dbraw/zinc/08/54/10/878085410.db2.gz FPUFQCLGNOFCCL-MOPGFXCFSA-N 2 1 392.975 3.647 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000245547918 878085426 /nfs/dbraw/zinc/08/54/26/878085426.db2.gz FPUFQCLGNOFCCL-MOPGFXCFSA-N 2 1 392.975 3.647 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCc3ccc(Cl)nc32)[C@@H](c2ccccc2)C1 ZINC000788517701 878122869 /nfs/dbraw/zinc/12/28/69/878122869.db2.gz CMPLURRIWHABPV-VQTJNVASSA-N 2 1 384.955 3.691 20 0 GHADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852295268 878205378 /nfs/dbraw/zinc/20/53/78/878205378.db2.gz VREAWUKSRMMYAT-LJQANCHMSA-N 2 1 390.572 3.712 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245654238 878293610 /nfs/dbraw/zinc/29/36/10/878293610.db2.gz DEGKCDHCQHRCJR-YCSHWKNNSA-N 2 1 380.532 3.904 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000646751177 878363649 /nfs/dbraw/zinc/36/36/49/878363649.db2.gz YVFHIASZPUOZFB-GOSISDBHSA-N 2 1 393.531 3.838 20 0 GHADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)C[C@@H](C)C1O ZINC000852502173 878380532 /nfs/dbraw/zinc/38/05/32/878380532.db2.gz BIDIJKNELQSTKM-YFZQLAKJSA-N 2 1 382.633 3.615 20 0 GHADMP C[C@@H](CCNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000746774537 878433369 /nfs/dbraw/zinc/43/33/69/878433369.db2.gz PRFDFBIAUJEAQB-FQEVSTJZSA-N 2 1 396.579 3.800 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000616082558 878486936 /nfs/dbraw/zinc/48/69/36/878486936.db2.gz AXNYUZGWQGHRIQ-SFTDATJTSA-N 2 1 394.648 3.898 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000177052059 878539182 /nfs/dbraw/zinc/53/91/82/878539182.db2.gz FEIHOXHQQPYGHQ-UHFFFAOYSA-N 2 1 382.346 3.584 20 0 GHADMP CCc1cc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000538003648 878654689 /nfs/dbraw/zinc/65/46/89/878654689.db2.gz AXIOMOKWHFDQOZ-RTBURBONSA-N 2 1 397.563 3.892 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc2n1 ZINC000538045813 878754161 /nfs/dbraw/zinc/75/41/61/878754161.db2.gz NVGKQWAZVYWGOV-PMACEKPBSA-N 2 1 397.563 3.633 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)C[C@H](C)O1 ZINC000530939618 878776333 /nfs/dbraw/zinc/77/63/33/878776333.db2.gz GUKZADPKZNBOGR-CALCHBBNSA-N 2 1 382.495 3.999 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccc(F)c(F)c1 ZINC000853120226 878827437 /nfs/dbraw/zinc/82/74/37/878827437.db2.gz HPNZUPPSKQQAMO-KNQAVFIVSA-N 2 1 386.486 3.890 20 0 GHADMP COC(=O)c1oc([C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000538148968 878950561 /nfs/dbraw/zinc/95/05/61/878950561.db2.gz UGPQVDCXKVBHJJ-KSZLIROESA-N 2 1 392.540 3.647 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246126951 879024469 /nfs/dbraw/zinc/02/44/69/879024469.db2.gz LXSXQFSOXVTGLG-YADHBBJMSA-N 2 1 392.632 3.939 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246141628 879047834 /nfs/dbraw/zinc/04/78/34/879047834.db2.gz JNRJBTULUPXAGW-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246141628 879047846 /nfs/dbraw/zinc/04/78/46/879047846.db2.gz JNRJBTULUPXAGW-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246141628 879047862 /nfs/dbraw/zinc/04/78/62/879047862.db2.gz JNRJBTULUPXAGW-XQBPLPMBSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000178245894 879057954 /nfs/dbraw/zinc/05/79/54/879057954.db2.gz IBFVYMRJIIFREM-PZJWPPBQSA-N 2 1 383.580 3.983 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000111386271 879082145 /nfs/dbraw/zinc/08/21/45/879082145.db2.gz ZDBJMFWFRKEJHM-INIZCTEOSA-N 2 1 385.533 3.883 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000531154043 879214285 /nfs/dbraw/zinc/21/42/85/879214285.db2.gz VZVUCELXUVIXTA-FXAWDEMLSA-N 2 1 377.960 3.714 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000776688409 879223281 /nfs/dbraw/zinc/22/32/81/879223281.db2.gz CWRJJMGXGQJIRJ-NRFANRHFSA-N 2 1 387.568 3.745 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000746866045 879366297 /nfs/dbraw/zinc/36/62/97/879366297.db2.gz NWLXTVIYFXEMGO-DEOSSOPVSA-N 2 1 383.580 3.767 20 0 GHADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000643080937 912451446 /nfs/dbraw/zinc/45/14/46/912451446.db2.gz MYNPYTRPBWRXSC-XUZZJYLKSA-N 2 1 393.531 3.510 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000122856444 879578853 /nfs/dbraw/zinc/57/88/53/879578853.db2.gz ZTIVDGXAEFDCEF-SRBWVJFJSA-N 2 1 381.524 3.556 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000122856444 879578860 /nfs/dbraw/zinc/57/88/60/879578860.db2.gz ZTIVDGXAEFDCEF-SRBWVJFJSA-N 2 1 381.524 3.556 20 0 GHADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000854223473 879641587 /nfs/dbraw/zinc/64/15/87/879641587.db2.gz GATDHLDVNOKWPL-RTFZILSDSA-N 2 1 393.531 3.618 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000246546548 879667773 /nfs/dbraw/zinc/66/77/73/879667773.db2.gz QSASQJBJXAPBBZ-AKIFATBCSA-N 2 1 398.595 3.699 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000493966370 879782368 /nfs/dbraw/zinc/78/23/68/879782368.db2.gz AEMRLFKNLMQCMB-GBXCKJPGSA-N 2 1 381.564 3.690 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247214156 879943679 /nfs/dbraw/zinc/94/36/79/879943679.db2.gz XFANGCDJWXMKIY-IXDOHACOSA-N 2 1 384.561 3.638 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)CC1 ZINC000182860603 880029373 /nfs/dbraw/zinc/02/93/73/880029373.db2.gz GYZICEZBIZGWGY-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182860603 880029388 /nfs/dbraw/zinc/02/93/88/880029388.db2.gz GYZICEZBIZGWGY-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182860603 880029405 /nfs/dbraw/zinc/02/94/05/880029405.db2.gz GYZICEZBIZGWGY-TZIWHRDSSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247939832 880091083 /nfs/dbraw/zinc/09/10/83/880091083.db2.gz CXKXYIRWGWDSMD-CKEIUWERSA-N 2 1 397.386 3.768 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247939832 880091099 /nfs/dbraw/zinc/09/10/99/880091099.db2.gz CXKXYIRWGWDSMD-CKEIUWERSA-N 2 1 397.386 3.768 20 0 GHADMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cnc2ccsc2c1 ZINC000531703073 880330684 /nfs/dbraw/zinc/33/06/84/880330684.db2.gz FHCIZCIBTAULRS-DYESRHJHSA-N 2 1 380.561 3.936 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000453080819 880437726 /nfs/dbraw/zinc/43/77/26/880437726.db2.gz KKJHQCUUKXSNLI-MBOZVWFJSA-N 2 1 390.959 3.642 20 0 GHADMP c1ncn(-c2cccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)c2)n1 ZINC000453114250 880485042 /nfs/dbraw/zinc/48/50/42/880485042.db2.gz SWJGAQALVQYYCF-KMDXXIMOSA-N 2 1 387.531 3.800 20 0 GHADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000531951008 880810675 /nfs/dbraw/zinc/81/06/75/880810675.db2.gz XVVVDCRYMCYJMO-FRQCXROJSA-N 2 1 380.960 3.715 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(-c4ccccc4)n[nH]3)CC2)CC1 ZINC000537621952 881098830 /nfs/dbraw/zinc/09/88/30/881098830.db2.gz MCGGGRPTEHRTPH-UHFFFAOYSA-N 2 1 395.595 3.705 20 0 GHADMP C[NH+](C)C[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499140234 881245840 /nfs/dbraw/zinc/24/58/40/881245840.db2.gz GSUGOLDULDKIDZ-VPBXCIAMSA-N 2 1 377.576 3.945 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000565421862 883261478 /nfs/dbraw/zinc/26/14/78/883261478.db2.gz JVWWOGYZWSPBHT-IOMROCGXSA-N 2 1 382.552 3.873 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000551175043 883387510 /nfs/dbraw/zinc/38/75/10/883387510.db2.gz FRWUIOHVRFMQMW-MOPGFXCFSA-N 2 1 393.453 3.990 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1c1ccccc1 ZINC000551175043 883387529 /nfs/dbraw/zinc/38/75/29/883387529.db2.gz FRWUIOHVRFMQMW-MOPGFXCFSA-N 2 1 393.453 3.990 20 0 GHADMP Cc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000551184485 883416037 /nfs/dbraw/zinc/41/60/37/883416037.db2.gz DTAGAWDORVRTRO-GFCCVEGCSA-N 2 1 390.163 3.951 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC001170469585 883436022 /nfs/dbraw/zinc/43/60/22/883436022.db2.gz XRUAIXYLYBWCBJ-LJQANCHMSA-N 2 1 377.960 3.810 20 0 GHADMP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476983350 883500573 /nfs/dbraw/zinc/50/05/73/883500573.db2.gz KZBWDIALKRDAQI-RBUKOAKNSA-N 2 1 389.559 3.807 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000643492952 912723103 /nfs/dbraw/zinc/72/31/03/912723103.db2.gz AMNBVMKZKDFPPV-WXFUMESZSA-N 2 1 398.595 3.510 20 0 GHADMP CC(C)(C)OC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000551263637 883572114 /nfs/dbraw/zinc/57/21/14/883572114.db2.gz CTZARIIAHARYIV-HWELCPFYSA-N 2 1 386.580 3.851 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000643545729 912732380 /nfs/dbraw/zinc/73/23/80/912732380.db2.gz BIERRELMBKCVRO-FUHWJXTLSA-N 2 1 376.566 3.728 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212593 883665856 /nfs/dbraw/zinc/66/58/56/883665856.db2.gz QAKJTOLRTLIEAO-IBGZPJMESA-N 2 1 394.563 3.807 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212593 883665860 /nfs/dbraw/zinc/66/58/60/883665860.db2.gz QAKJTOLRTLIEAO-IBGZPJMESA-N 2 1 394.563 3.807 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000859215064 883668830 /nfs/dbraw/zinc/66/88/30/883668830.db2.gz VISXSQFGGLQSDY-UHFFFAOYSA-N 2 1 390.325 3.581 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000859215064 883668832 /nfs/dbraw/zinc/66/88/32/883668832.db2.gz VISXSQFGGLQSDY-UHFFFAOYSA-N 2 1 390.325 3.581 20 0 GHADMP Fc1cccc(COc2ccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cc2)c1 ZINC000666978925 883690532 /nfs/dbraw/zinc/69/05/32/883690532.db2.gz DNSQZMKEYFMGNW-UHFFFAOYSA-N 2 1 397.538 3.711 20 0 GHADMP O[C@H](CCc1ccccc1)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000542510104 883928962 /nfs/dbraw/zinc/92/89/62/883928962.db2.gz JCKUEDZPECKVGB-XMMPIXPASA-N 2 1 378.560 3.968 20 0 GHADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000227280760 883990842 /nfs/dbraw/zinc/99/08/42/883990842.db2.gz NBFUQXFKODWLRC-DNQXCXABSA-N 2 1 391.559 3.852 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000556218184 884168707 /nfs/dbraw/zinc/16/87/07/884168707.db2.gz QMYZAMZTHFEJSK-RDPSFJRHSA-N 2 1 379.548 3.523 20 0 GHADMP Cc1ccc2[nH]ccc2c1[NH+]1C=CC(=NC(=O)C2CCC([C@@H](C)[NH3+])CC2)C=C1 ZINC001170493869 884228471 /nfs/dbraw/zinc/22/84/71/884228471.db2.gz VGHPYYJPAQAUGL-WWDZGPRUSA-N 2 1 376.504 3.848 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001168175969 884266761 /nfs/dbraw/zinc/26/67/61/884266761.db2.gz AJDARBUTXJEWAA-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001168175969 884266777 /nfs/dbraw/zinc/26/67/77/884266777.db2.gz AJDARBUTXJEWAA-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001168175969 884266783 /nfs/dbraw/zinc/26/67/83/884266783.db2.gz AJDARBUTXJEWAA-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000494974215 884291803 /nfs/dbraw/zinc/29/18/03/884291803.db2.gz CJCPLDCZQZCHHB-UHFFFAOYSA-N 2 1 391.575 3.853 20 0 GHADMP CCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000494974215 884291820 /nfs/dbraw/zinc/29/18/20/884291820.db2.gz CJCPLDCZQZCHHB-UHFFFAOYSA-N 3 1 391.575 3.853 20 0 GHADMP CCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000494974215 884291835 /nfs/dbraw/zinc/29/18/35/884291835.db2.gz CJCPLDCZQZCHHB-UHFFFAOYSA-N 3 1 391.575 3.853 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496746 884303139 /nfs/dbraw/zinc/30/31/39/884303139.db2.gz LHJPOVUPTZSTIG-HMFYCAOWSA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1CC([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496746 884303164 /nfs/dbraw/zinc/30/31/64/884303164.db2.gz LHJPOVUPTZSTIG-HMFYCAOWSA-N 2 1 379.589 3.971 20 0 GHADMP CC[C@@H]1CC([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170496746 884303181 /nfs/dbraw/zinc/30/31/81/884303181.db2.gz LHJPOVUPTZSTIG-HMFYCAOWSA-N 2 1 379.589 3.971 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4nc(Cl)ccc43)cc2)CC1 ZINC000806132645 884350549 /nfs/dbraw/zinc/35/05/49/884350549.db2.gz YLJXYFSQADXGIR-HXUWFJFHSA-N 2 1 384.955 3.650 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 ZINC000532950548 884676205 /nfs/dbraw/zinc/67/62/05/884676205.db2.gz RDSIWRNCZJOYOH-HNNXBMFYSA-N 2 1 396.373 3.828 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)[C@H](C)C1 ZINC000495163422 884699860 /nfs/dbraw/zinc/69/98/60/884699860.db2.gz BCKXSKCIOCSYDD-WWMYMODYSA-N 2 1 397.966 3.784 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000130681207 885000831 /nfs/dbraw/zinc/00/08/31/885000831.db2.gz QSUBKCCZSHOKRC-UHFFFAOYSA-N 2 1 398.576 3.619 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000460366547 885060824 /nfs/dbraw/zinc/06/08/24/885060824.db2.gz YSNFWYHBEUMLPX-HZPDHXFCSA-N 2 1 387.474 3.650 20 0 GHADMP CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478230 885077949 /nfs/dbraw/zinc/07/79/49/885077949.db2.gz QJWBMVUSTHUOAT-PXNSSMCTSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478230 885077966 /nfs/dbraw/zinc/07/79/66/885077966.db2.gz QJWBMVUSTHUOAT-PXNSSMCTSA-N 2 1 392.975 3.506 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1Cl ZINC000465478230 885077987 /nfs/dbraw/zinc/07/79/87/885077987.db2.gz QJWBMVUSTHUOAT-PXNSSMCTSA-N 2 1 392.975 3.506 20 0 GHADMP O[C@]1(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000424327732 885127710 /nfs/dbraw/zinc/12/77/10/885127710.db2.gz ZKVNQLXEAGCXOY-GMAHTHKFSA-N 2 1 393.556 3.654 20 0 GHADMP O[C@]1(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000424327732 885127728 /nfs/dbraw/zinc/12/77/28/885127728.db2.gz ZKVNQLXEAGCXOY-GMAHTHKFSA-N 2 1 393.556 3.654 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000130903919 885322876 /nfs/dbraw/zinc/32/28/76/885322876.db2.gz POAISZSZCCTAFB-IBGZPJMESA-N 2 1 376.504 3.682 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000130903919 885322895 /nfs/dbraw/zinc/32/28/95/885322895.db2.gz POAISZSZCCTAFB-IBGZPJMESA-N 2 1 376.504 3.682 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3C)c2)cs1 ZINC000130928455 885355706 /nfs/dbraw/zinc/35/57/06/885355706.db2.gz WTOHZQFRILJZEJ-UHFFFAOYSA-N 2 1 383.521 3.584 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3C)c2)cs1 ZINC000130928455 885355726 /nfs/dbraw/zinc/35/57/26/885355726.db2.gz WTOHZQFRILJZEJ-UHFFFAOYSA-N 2 1 383.521 3.584 20 0 GHADMP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498703583 885413604 /nfs/dbraw/zinc/41/36/04/885413604.db2.gz BULPDBGZJUFQNJ-FPOVZHCZSA-N 2 1 386.584 3.509 20 0 GHADMP C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495375512 885567883 /nfs/dbraw/zinc/56/78/83/885567883.db2.gz YDUFTNLOSPEWFP-CTNGQTDRSA-N 2 1 385.596 3.914 20 0 GHADMP C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495375515 885567928 /nfs/dbraw/zinc/56/79/28/885567928.db2.gz YDUFTNLOSPEWFP-TZIWHRDSSA-N 2 1 385.596 3.914 20 0 GHADMP Brc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655770093 885658174 /nfs/dbraw/zinc/65/81/74/885658174.db2.gz YBZFIZJCVVNTSV-VDGAXYAQSA-N 2 1 393.369 3.928 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3Cl)C2)CC1 ZINC000498850059 885935336 /nfs/dbraw/zinc/93/53/36/885935336.db2.gz NJNZJETZYPVLMY-MOPGFXCFSA-N 2 1 380.960 3.524 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3Cl)C2)CC1 ZINC000498850059 885935340 /nfs/dbraw/zinc/93/53/40/885935340.db2.gz NJNZJETZYPVLMY-MOPGFXCFSA-N 2 1 380.960 3.524 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC000108873299 885949663 /nfs/dbraw/zinc/94/96/63/885949663.db2.gz ZRINHIQDYJWZLC-UHFFFAOYSA-N 2 1 379.548 3.606 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC000498859981 885960009 /nfs/dbraw/zinc/96/00/09/885960009.db2.gz YLHRMUUOXSGCLZ-AZUAARDMSA-N 2 1 380.960 3.524 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC000498859981 885960019 /nfs/dbraw/zinc/96/00/19/885960019.db2.gz YLHRMUUOXSGCLZ-AZUAARDMSA-N 2 1 380.960 3.524 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCCc1cccs1 ZINC000495509923 885979414 /nfs/dbraw/zinc/97/94/14/885979414.db2.gz AAMABTFXMVCECB-RTBURBONSA-N 2 1 399.604 3.960 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498912858 886104159 /nfs/dbraw/zinc/10/41/59/886104159.db2.gz VVIPFTGNUWOUEK-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)CC1 ZINC000808172845 886108561 /nfs/dbraw/zinc/10/85/61/886108561.db2.gz XMZZPIFWGCYSCN-UGKGYDQZSA-N 2 1 398.595 3.925 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)C(C)(C)[C@@H]2c2ccncc2)CC1 ZINC000808172845 886108566 /nfs/dbraw/zinc/10/85/66/886108566.db2.gz XMZZPIFWGCYSCN-UGKGYDQZSA-N 2 1 398.595 3.925 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](C2CCC(C)CC2)CC1 ZINC001168215492 886148433 /nfs/dbraw/zinc/14/84/33/886148433.db2.gz RCLZPXAEJMWDGS-UHFFFAOYSA-N 2 1 383.580 3.816 20 0 GHADMP C[C@H](c1ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000118029321 886150535 /nfs/dbraw/zinc/15/05/35/886150535.db2.gz LBESWNBGYOENKP-XLIONFOSSA-N 2 1 390.572 3.568 20 0 GHADMP CSCC[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)C(C)(C)O ZINC001168213935 886150798 /nfs/dbraw/zinc/15/07/98/886150798.db2.gz PSHOLJRBMGHYMS-VQIMIIECSA-N 2 1 376.570 3.655 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000862248038 886249258 /nfs/dbraw/zinc/24/92/58/886249258.db2.gz PYVQXICKXRWOJR-SJORKVTESA-N 2 1 387.515 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000862248038 886249275 /nfs/dbraw/zinc/24/92/75/886249275.db2.gz PYVQXICKXRWOJR-SJORKVTESA-N 2 1 387.515 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000118978863 886473989 /nfs/dbraw/zinc/47/39/89/886473989.db2.gz LQKHHOINFIETRD-NRFANRHFSA-N 2 1 387.568 3.683 20 0 GHADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)c2)n1 ZINC000556892287 886521661 /nfs/dbraw/zinc/52/16/61/886521661.db2.gz JLKOYZIJWVONLF-LMMKCTJWSA-N 2 1 385.533 3.559 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000236787190 886884174 /nfs/dbraw/zinc/88/41/74/886884174.db2.gz ITLYIPLGVGSTPM-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000236787190 886884186 /nfs/dbraw/zinc/88/41/86/886884186.db2.gz ITLYIPLGVGSTPM-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000762916816 887094072 /nfs/dbraw/zinc/09/40/72/887094072.db2.gz IUZKDVNMILTFRA-LJQANCHMSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000762925080 887107976 /nfs/dbraw/zinc/10/79/76/887107976.db2.gz CDCCKZHDQIHIGL-RBUKOAKNSA-N 2 1 376.545 3.836 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000762925080 887107983 /nfs/dbraw/zinc/10/79/83/887107983.db2.gz CDCCKZHDQIHIGL-RBUKOAKNSA-N 2 1 376.545 3.836 20 0 GHADMP O[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccc(F)c(F)c1 ZINC000762927250 887115917 /nfs/dbraw/zinc/11/59/17/887115917.db2.gz OECSSVFLOZPOQR-JOCHJYFZSA-N 2 1 386.486 3.986 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](CC3CCN(C(=O)OCc4ccccc4)CC3)C[C@@H]2C1 ZINC001184303623 913115357 /nfs/dbraw/zinc/11/53/57/913115357.db2.gz QVMUQMBJNZPGOX-RJGXRXQPSA-N 2 1 399.579 3.697 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2NC2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000459355001 887626735 /nfs/dbraw/zinc/62/67/35/887626735.db2.gz VTRYFIAYVOHTRX-RTBURBONSA-N 2 1 380.536 3.772 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000809738314 887772186 /nfs/dbraw/zinc/77/21/86/887772186.db2.gz UKGFWPRTMCKGJB-JOCHJYFZSA-N 2 1 375.557 3.827 20 0 GHADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739067 887773323 /nfs/dbraw/zinc/77/33/23/887773323.db2.gz WHEHUMFSQWRCLO-UHFFFAOYSA-N 2 1 396.487 3.922 20 0 GHADMP C[NH+]1C[C@]23C[N@H+](C[C@@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001184399625 913180479 /nfs/dbraw/zinc/18/04/79/913180479.db2.gz ZELKPZUHLVWTOA-ZLNRFVROSA-N 2 1 391.600 3.831 20 0 GHADMP C[NH+]1C[C@]23C[N@@H+](C[C@@]4(C)CCCN(C(=O)OC(C)(C)C)C4)C[C@@]2(C1)CCCC3 ZINC001184399625 913180515 /nfs/dbraw/zinc/18/05/15/913180515.db2.gz ZELKPZUHLVWTOA-ZLNRFVROSA-N 2 1 391.600 3.831 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001184403204 913185957 /nfs/dbraw/zinc/18/59/57/913185957.db2.gz AHGXRDZQWMOUTM-ICSRJNTNSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403204 913185966 /nfs/dbraw/zinc/18/59/66/913185966.db2.gz AHGXRDZQWMOUTM-ICSRJNTNSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184403204 913185976 /nfs/dbraw/zinc/18/59/76/913185976.db2.gz AHGXRDZQWMOUTM-ICSRJNTNSA-N 2 1 391.987 3.933 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001184402915 913186903 /nfs/dbraw/zinc/18/69/03/913186903.db2.gz PLMULPJXEQQNFJ-LJQANCHMSA-N 2 1 391.987 3.885 20 0 GHADMP C[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001170594542 888070245 /nfs/dbraw/zinc/07/02/45/888070245.db2.gz UIWQIWQXMNXDEA-RPWUZVMVSA-N 2 1 378.564 3.642 20 0 GHADMP C[NH+]1CCC[C@@H]1CN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001170594542 888070259 /nfs/dbraw/zinc/07/02/59/888070259.db2.gz UIWQIWQXMNXDEA-RPWUZVMVSA-N 2 1 378.564 3.642 20 0 GHADMP C[NH+]1CCC[C@@H]1CN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001170594542 888070274 /nfs/dbraw/zinc/07/02/74/888070274.db2.gz UIWQIWQXMNXDEA-RPWUZVMVSA-N 2 1 378.564 3.642 20 0 GHADMP CN1c2ccc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000810177516 888261918 /nfs/dbraw/zinc/26/19/18/888261918.db2.gz HCUSMKSDASKLRT-JOCHJYFZSA-N 2 1 391.559 3.988 20 0 GHADMP CCCCCC[C@H](CC)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001170601254 888348615 /nfs/dbraw/zinc/34/86/15/888348615.db2.gz YCWHQVKLIPFGHQ-FPOVZHCZSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCCC[C@H](CC)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001170601254 888348633 /nfs/dbraw/zinc/34/86/33/888348633.db2.gz YCWHQVKLIPFGHQ-FPOVZHCZSA-N 2 1 391.604 3.576 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(F)c2OC(F)(F)F)C1 ZINC000865523787 888407387 /nfs/dbraw/zinc/40/73/87/888407387.db2.gz FHPAZSCFDFHXQP-KRWDZBQOSA-N 2 1 398.400 3.581 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865525246 888409313 /nfs/dbraw/zinc/40/93/13/888409313.db2.gz VBKVFIDBMTVBAM-OAQYLSRUSA-N 2 1 379.479 3.620 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000397959296 888482096 /nfs/dbraw/zinc/48/20/96/888482096.db2.gz CZMGRMDECCKVPT-YFVAEKQCSA-N 2 1 388.939 3.580 20 0 GHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195133784 888649390 /nfs/dbraw/zinc/64/93/90/888649390.db2.gz BVLKSPLSWICMKX-FUHWJXTLSA-N 2 1 386.927 3.564 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237124241 888686419 /nfs/dbraw/zinc/68/64/19/888686419.db2.gz LOQJGOYZGQTIDN-RWQQGDIJSA-N 2 1 397.485 3.722 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459383603 888715074 /nfs/dbraw/zinc/71/50/74/888715074.db2.gz GLTASRCOHCANHQ-KRWDZBQOSA-N 2 1 378.524 3.991 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000123363642 888860652 /nfs/dbraw/zinc/86/06/52/888860652.db2.gz DXIBLAPDEOHCEC-FYYLOGMGSA-N 2 1 398.595 3.687 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)C1 ZINC000454557655 889319715 /nfs/dbraw/zinc/31/97/15/889319715.db2.gz QLPINIDXHGSPPV-QHCPKHFHSA-N 2 1 384.568 3.665 20 0 GHADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)C1 ZINC000454557653 889320270 /nfs/dbraw/zinc/32/02/70/889320270.db2.gz QLPINIDXHGSPPV-HSZRJFAPSA-N 2 1 384.568 3.665 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)cc1 ZINC000644524163 913336456 /nfs/dbraw/zinc/33/64/56/913336456.db2.gz XFPVVCYYWKFFTA-ZYQDXHPFSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000644523947 913336747 /nfs/dbraw/zinc/33/67/47/913336747.db2.gz CDRLMVXFFIWXMN-STAYPELNSA-N 2 1 394.559 3.678 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532950093 889366169 /nfs/dbraw/zinc/36/61/69/889366169.db2.gz YWYVTBFPYLGORY-UHFFFAOYSA-N 2 1 396.373 3.748 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532950093 889366185 /nfs/dbraw/zinc/36/61/85/889366185.db2.gz YWYVTBFPYLGORY-UHFFFAOYSA-N 2 1 396.373 3.748 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000533080554 889707773 /nfs/dbraw/zinc/70/77/73/889707773.db2.gz KDJWEFOYDJZDKL-JRFVFWCSSA-N 2 1 380.532 3.949 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000533080554 889707780 /nfs/dbraw/zinc/70/77/80/889707780.db2.gz KDJWEFOYDJZDKL-JRFVFWCSSA-N 2 1 380.532 3.949 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245845709 889851656 /nfs/dbraw/zinc/85/16/56/889851656.db2.gz IINSOLASMJCZAX-ROUUACIJSA-N 2 1 382.552 3.827 20 0 GHADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245845709 889851662 /nfs/dbraw/zinc/85/16/62/889851662.db2.gz IINSOLASMJCZAX-ROUUACIJSA-N 2 1 382.552 3.827 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1F ZINC000126721104 890664310 /nfs/dbraw/zinc/66/43/10/890664310.db2.gz RWIRBTPELCHMRE-CQSZACIVSA-N 2 1 386.353 3.512 20 0 GHADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1 ZINC000066994705 891142987 /nfs/dbraw/zinc/14/29/87/891142987.db2.gz NCXXBVSDSNXLSD-UHFFFAOYSA-N 2 1 395.478 3.667 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)c1 ZINC000123955894 891157186 /nfs/dbraw/zinc/15/71/86/891157186.db2.gz GKMSCBAHNUSUFB-UHFFFAOYSA-N 3 1 380.580 3.963 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C(F)(F)F ZINC000872147652 891182511 /nfs/dbraw/zinc/18/25/11/891182511.db2.gz CUHUUMBBQOICKM-AEFFLSMTSA-N 2 1 391.437 3.751 20 0 GHADMP Cc1cc(F)ccc1-c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872176112 891198611 /nfs/dbraw/zinc/19/86/11/891198611.db2.gz VPFGXVOXHZNKQX-UHFFFAOYSA-N 2 1 380.467 3.720 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCN(Cc4ccncc4)CC2)C3)cc1 ZINC000248990041 891486140 /nfs/dbraw/zinc/48/61/40/891486140.db2.gz NCHXEWHYOLFHON-MPIKPJSNSA-N 2 1 390.575 3.831 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCN(Cc4ccncc4)CC2)C3)cc1 ZINC000248990044 891486267 /nfs/dbraw/zinc/48/62/67/891486267.db2.gz NCHXEWHYOLFHON-QEIWAGNOSA-N 2 1 390.575 3.831 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399002 891495632 /nfs/dbraw/zinc/49/56/32/891495632.db2.gz KZAYHBCXXAMZHA-PKTZIBPZSA-N 2 1 379.548 3.745 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399002 891495638 /nfs/dbraw/zinc/49/56/38/891495638.db2.gz KZAYHBCXXAMZHA-PKTZIBPZSA-N 2 1 379.548 3.745 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1)C(C)C ZINC000497399002 891495644 /nfs/dbraw/zinc/49/56/44/891495644.db2.gz KZAYHBCXXAMZHA-PKTZIBPZSA-N 2 1 379.548 3.745 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000128257122 891516625 /nfs/dbraw/zinc/51/66/25/891516625.db2.gz LENGKGQAYJIXSU-HNNXBMFYSA-N 2 1 397.485 3.831 20 0 GHADMP Fc1cc(OC(F)F)ccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000873253407 891551421 /nfs/dbraw/zinc/55/14/21/891551421.db2.gz XELUSUJFUFXNIA-XLIONFOSSA-N 2 1 378.394 3.773 20 0 GHADMP C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000139285596 891625312 /nfs/dbraw/zinc/62/53/12/891625312.db2.gz RMSLAKGVBQUHLM-UHFFFAOYSA-N 2 1 392.547 3.677 20 0 GHADMP C[C@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@H+](C2CCC2)C1 ZINC000813667595 891861691 /nfs/dbraw/zinc/86/16/91/891861691.db2.gz XAFMCQDHJONOIU-HXUWFJFHSA-N 2 1 378.605 3.549 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000162147526 892060818 /nfs/dbraw/zinc/06/08/18/892060818.db2.gz CCKREHPSFOQACA-INIZCTEOSA-N 2 1 391.357 3.597 20 0 GHADMP C[C@@H](C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC001170722660 892214777 /nfs/dbraw/zinc/21/47/77/892214777.db2.gz KWNVXOCYBHYWIJ-SFTDATJTSA-N 2 1 382.548 3.505 20 0 GHADMP C[C@@H](C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)CO)c1ccccc1 ZINC001170722660 892214794 /nfs/dbraw/zinc/21/47/94/892214794.db2.gz KWNVXOCYBHYWIJ-SFTDATJTSA-N 2 1 382.548 3.505 20 0 GHADMP CCN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262168660 892236916 /nfs/dbraw/zinc/23/69/16/892236916.db2.gz ANPWHJBQKABZSO-VJMHVHHWSA-N 2 1 383.580 3.824 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262178637 892238093 /nfs/dbraw/zinc/23/80/93/892238093.db2.gz BGYAMZDYOZSJRK-OKXYMDNISA-N 2 1 383.580 3.511 20 0 GHADMP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000875478046 892635559 /nfs/dbraw/zinc/63/55/59/892635559.db2.gz WJDOKSFIRUEUIB-WOJBJXKFSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508695121 892654607 /nfs/dbraw/zinc/65/46/07/892654607.db2.gz HMXLEAKZKBIXGI-WMZOPIPTSA-N 2 1 393.453 3.979 20 0 GHADMP Cc1cccc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000615117060 892820288 /nfs/dbraw/zinc/82/02/88/892820288.db2.gz LIVBIYBQTWMAGO-HXUWFJFHSA-N 2 1 379.548 3.596 20 0 GHADMP C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715733 892866260 /nfs/dbraw/zinc/86/62/60/892866260.db2.gz XMECKOVPUAWEAE-WMZOPIPTSA-N 2 1 393.453 3.979 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@H]4C[C@@H]5[C@H](C4)C5(C)C)CC3)C2)c1 ZINC001170753604 892955659 /nfs/dbraw/zinc/95/56/59/892955659.db2.gz RASQSWHGDOCOHM-QQFNCUIESA-N 2 1 384.564 3.797 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@H]4C[C@@H]5[C@H](C4)C5(C)C)CC3)C2)c1 ZINC001170753604 892955668 /nfs/dbraw/zinc/95/56/68/892955668.db2.gz RASQSWHGDOCOHM-QQFNCUIESA-N 2 1 384.564 3.797 20 0 GHADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000465548467 893271278 /nfs/dbraw/zinc/27/12/78/893271278.db2.gz HPUVRVVFVSZNNP-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP O=C(/C=C\[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000876889195 893373817 /nfs/dbraw/zinc/37/38/17/893373817.db2.gz LDVZFXWZZOUWPN-ABCZVMIZSA-N 2 1 396.362 3.630 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)[C@H](C)C1 ZINC000459405563 893438693 /nfs/dbraw/zinc/43/86/93/893438693.db2.gz BISLBMGSUXJPNT-CRAIPNDOSA-N 2 1 384.948 3.671 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)[C@H](C)C1 ZINC000459405563 893438702 /nfs/dbraw/zinc/43/87/02/893438702.db2.gz BISLBMGSUXJPNT-CRAIPNDOSA-N 2 1 384.948 3.671 20 0 GHADMP C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459442861 893531139 /nfs/dbraw/zinc/53/11/39/893531139.db2.gz PUJLYKPQKFXZLH-PMACEKPBSA-N 2 1 378.564 3.797 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199904 893549128 /nfs/dbraw/zinc/54/91/28/893549128.db2.gz FCHKMMXYBGESAA-MOPGFXCFSA-N 2 1 376.545 3.693 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199904 893549145 /nfs/dbraw/zinc/54/91/45/893549145.db2.gz FCHKMMXYBGESAA-MOPGFXCFSA-N 2 1 376.545 3.693 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnc4ccc(Cl)cn34)CC2)C[C@H](C)O1 ZINC000536710043 893617596 /nfs/dbraw/zinc/61/75/96/893617596.db2.gz JEHCXXGETVPHSU-CALCHBBNSA-N 2 1 390.959 3.699 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc4ccc(Cl)cn34)CC2)C[C@H](C)O1 ZINC000536710043 893617603 /nfs/dbraw/zinc/61/76/03/893617603.db2.gz JEHCXXGETVPHSU-CALCHBBNSA-N 2 1 390.959 3.699 20 0 GHADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)CC2)c1 ZINC000536730539 893637791 /nfs/dbraw/zinc/63/77/91/893637791.db2.gz PQLCPGZQWWJOND-REWPJTCUSA-N 2 1 384.564 3.941 20 0 GHADMP COCc1cccc(OCC2(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)CC2)c1 ZINC000536730539 893637798 /nfs/dbraw/zinc/63/77/98/893637798.db2.gz PQLCPGZQWWJOND-REWPJTCUSA-N 2 1 384.564 3.941 20 0 GHADMP COCc1cccc(OCC2(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)CC2)c1 ZINC000536730539 893637802 /nfs/dbraw/zinc/63/78/02/893637802.db2.gz PQLCPGZQWWJOND-REWPJTCUSA-N 2 1 384.564 3.941 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000459530360 893741455 /nfs/dbraw/zinc/74/14/55/893741455.db2.gz PKYLIHUZHPXTHL-IRLDBZIGSA-N 2 1 379.548 3.523 20 0 GHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000536829930 893939572 /nfs/dbraw/zinc/93/95/72/893939572.db2.gz AIKDZZWGWQACGT-FPOVZHCZSA-N 2 1 389.584 3.562 20 0 GHADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000536829930 893939586 /nfs/dbraw/zinc/93/95/86/893939586.db2.gz AIKDZZWGWQACGT-FPOVZHCZSA-N 2 1 389.584 3.562 20 0 GHADMP C(C[NH+]1CCCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837796 893966376 /nfs/dbraw/zinc/96/63/76/893966376.db2.gz LKJUQOSCUYDIAK-MYDTUXCISA-N 2 1 378.601 3.654 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000536875791 893986867 /nfs/dbraw/zinc/98/68/67/893986867.db2.gz IGYLLCQEKYRQNQ-QFBILLFUSA-N 2 1 399.373 3.555 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000455838637 894053814 /nfs/dbraw/zinc/05/38/14/894053814.db2.gz BWJYSMZSGYUJKX-CVDCTZTESA-N 2 1 392.547 3.879 20 0 GHADMP O=C(CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1cc(F)cc(F)c1 ZINC000563782886 894186414 /nfs/dbraw/zinc/18/64/14/894186414.db2.gz PCNZHSPHOFZKRK-RTBURBONSA-N 2 1 399.485 3.747 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459794967 894207444 /nfs/dbraw/zinc/20/74/44/894207444.db2.gz VCYPWDILVHPGGU-HUUCEWRRSA-N 2 1 387.446 3.624 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607207 894435883 /nfs/dbraw/zinc/43/58/83/894435883.db2.gz UNCJYAGGWRGTDV-ISKFKSNPSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607207 894435922 /nfs/dbraw/zinc/43/59/22/894435922.db2.gz UNCJYAGGWRGTDV-ISKFKSNPSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607207 894435998 /nfs/dbraw/zinc/43/59/98/894435998.db2.gz UNCJYAGGWRGTDV-ISKFKSNPSA-N 2 1 384.564 3.560 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c2cccs2)CC1 ZINC001135475397 894627933 /nfs/dbraw/zinc/62/79/33/894627933.db2.gz ZFSSROCBKXSMCC-GUDVDZBRSA-N 2 1 375.582 3.654 20 0 GHADMP Clc1cc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247362 894652365 /nfs/dbraw/zinc/65/23/65/894652365.db2.gz CHVXIKURINZAOP-PXNSSMCTSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247362 894652379 /nfs/dbraw/zinc/65/23/79/894652379.db2.gz CHVXIKURINZAOP-PXNSSMCTSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247362 894652393 /nfs/dbraw/zinc/65/23/93/894652393.db2.gz CHVXIKURINZAOP-PXNSSMCTSA-N 2 1 390.955 3.993 20 0 GHADMP Clc1cc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCCCO2 ZINC000537247362 894652403 /nfs/dbraw/zinc/65/24/03/894652403.db2.gz CHVXIKURINZAOP-PXNSSMCTSA-N 2 1 390.955 3.993 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000816451145 894840834 /nfs/dbraw/zinc/84/08/34/894840834.db2.gz IDQBBCXAHKYXDR-LZNRXBQRSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000816451145 894840843 /nfs/dbraw/zinc/84/08/43/894840843.db2.gz IDQBBCXAHKYXDR-LZNRXBQRSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000816451145 894840847 /nfs/dbraw/zinc/84/08/47/894840847.db2.gz IDQBBCXAHKYXDR-LZNRXBQRSA-N 2 1 376.516 3.653 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000537391664 894887951 /nfs/dbraw/zinc/88/79/51/894887951.db2.gz CZGLELKACQQKQF-DEOSSOPVSA-N 2 1 393.575 3.661 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000537391664 894887964 /nfs/dbraw/zinc/88/79/64/894887964.db2.gz CZGLELKACQQKQF-DEOSSOPVSA-N 2 1 393.575 3.661 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000564591489 895105006 /nfs/dbraw/zinc/10/50/06/895105006.db2.gz FIWGKUWBFZWTHH-VQIMIIECSA-N 2 1 380.964 3.505 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001135717280 895161713 /nfs/dbraw/zinc/16/17/13/895161713.db2.gz KLZKRVMZPLOVBY-JOCHJYFZSA-N 2 1 383.580 3.671 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000564838594 895275592 /nfs/dbraw/zinc/27/55/92/895275592.db2.gz PWMVYIZUEXSEQL-KJXAQDMKSA-N 2 1 379.548 3.884 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000564847236 895280760 /nfs/dbraw/zinc/28/07/60/895280760.db2.gz KZDGEAOOWBZLNU-ZJSXRUAMSA-N 2 1 396.575 3.864 20 0 GHADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000564939495 895315342 /nfs/dbraw/zinc/31/53/42/895315342.db2.gz CEVBJLGARRVELL-AZUAARDMSA-N 2 1 398.378 3.982 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000565193261 895451995 /nfs/dbraw/zinc/45/19/95/895451995.db2.gz XLCRKGHHEVHECJ-JTHBVZDNSA-N 2 1 397.607 3.710 20 0 GHADMP CCN(C(=O)NCc1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000565349362 895555600 /nfs/dbraw/zinc/55/56/00/895555600.db2.gz NHUXBBFKDKVGRV-GCJKJVERSA-N 2 1 391.519 3.701 20 0 GHADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC(c1ccccc1)c1ccccc1 ZINC000565363101 895567444 /nfs/dbraw/zinc/56/74/44/895567444.db2.gz DSBNWARYEOTYDG-XZOQPEGZSA-N 2 1 391.559 3.604 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000565607149 895756643 /nfs/dbraw/zinc/75/66/43/895756643.db2.gz NSSUHQUYKREKSE-OAQYLSRUSA-N 2 1 377.467 3.873 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444235 896317763 /nfs/dbraw/zinc/31/77/63/896317763.db2.gz LCVCYYMWNGDLLF-WRWLIDTKSA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444235 896317773 /nfs/dbraw/zinc/31/77/73/896317773.db2.gz LCVCYYMWNGDLLF-WRWLIDTKSA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444235 896317780 /nfs/dbraw/zinc/31/77/80/896317780.db2.gz LCVCYYMWNGDLLF-WRWLIDTKSA-N 2 1 397.485 3.546 20 0 GHADMP COc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc(OC)c1O ZINC000289216138 914090778 /nfs/dbraw/zinc/09/07/78/914090778.db2.gz IYNSJIQZUMVVIX-UHFFFAOYSA-N 2 1 399.535 3.800 20 0 GHADMP C[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001136226195 896776610 /nfs/dbraw/zinc/77/66/10/896776610.db2.gz UMQLUEDULRQCTP-QHAWAJNXSA-N 2 1 385.596 3.566 20 0 GHADMP C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H]1c1cccs1 ZINC000567121088 896890017 /nfs/dbraw/zinc/89/00/17/896890017.db2.gz YMFIWSVJNVVFAP-NZSAHSFTSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000567121088 896890026 /nfs/dbraw/zinc/89/00/26/896890026.db2.gz YMFIWSVJNVVFAP-NZSAHSFTSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000567121088 896890040 /nfs/dbraw/zinc/89/00/40/896890040.db2.gz YMFIWSVJNVVFAP-NZSAHSFTSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H]1COCCN1CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001170939837 897019231 /nfs/dbraw/zinc/01/92/31/897019231.db2.gz XZAPVMHIVDVRBP-RDGATRHJSA-N 2 1 399.623 3.864 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2)cc1 ZINC000567581714 897269704 /nfs/dbraw/zinc/26/97/04/897269704.db2.gz NCNCHTDTTYVXKH-DCEDVJGZSA-N 2 1 394.559 3.536 20 0 GHADMP COCc1c(C)cc(C)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1C ZINC000883085104 897270166 /nfs/dbraw/zinc/27/01/66/897270166.db2.gz JHIDJPSNOBLBCI-JOCHJYFZSA-N 2 1 382.548 3.615 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001136335393 897303069 /nfs/dbraw/zinc/30/30/69/897303069.db2.gz XSSPFEVKTZAZGI-PXNSSMCTSA-N 2 1 377.960 3.543 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC001136335393 897303083 /nfs/dbraw/zinc/30/30/83/897303083.db2.gz XSSPFEVKTZAZGI-PXNSSMCTSA-N 2 1 377.960 3.543 20 0 GHADMP Cn1nc2c(c1CNC[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CSCC2 ZINC000883180307 897344488 /nfs/dbraw/zinc/34/44/88/897344488.db2.gz ZPXOIERQPUSHPI-LJQANCHMSA-N 2 1 396.604 3.601 20 0 GHADMP Cn1nc2c(c1C[NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCC3)CSCC2 ZINC000883180307 897344502 /nfs/dbraw/zinc/34/45/02/897344502.db2.gz ZPXOIERQPUSHPI-LJQANCHMSA-N 2 1 396.604 3.601 20 0 GHADMP Cn1nc2c(c1C[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)CSCC2 ZINC000883180307 897344516 /nfs/dbraw/zinc/34/45/16/897344516.db2.gz ZPXOIERQPUSHPI-LJQANCHMSA-N 2 1 396.604 3.601 20 0 GHADMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001136507681 898095022 /nfs/dbraw/zinc/09/50/22/898095022.db2.gz UVJQRPXLZSLMJC-IXDOHACOSA-N 2 1 399.501 3.857 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000569039139 898291637 /nfs/dbraw/zinc/29/16/37/898291637.db2.gz PDPBFKYWKIFRFH-VAXXYWNWSA-N 2 1 398.522 3.757 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccnc(-c4ccccc4)c3)CC2)CC1 ZINC000569138481 898362577 /nfs/dbraw/zinc/36/25/77/898362577.db2.gz WHVSXSJEZRXUQB-UHFFFAOYSA-N 2 1 392.547 3.883 20 0 GHADMP C[C@@H]1CC2(C[NH+]1CCCCC[N@@H+]1CC3(C[C@H]1C)CCOCC3)CCOCC2 ZINC000646098257 914252008 /nfs/dbraw/zinc/25/20/08/914252008.db2.gz SKTCXRZSZGQMBK-NHCUHLMSSA-N 2 1 378.601 3.939 20 0 GHADMP COC[C@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)OCCc2ccccc21 ZINC000569396795 898615952 /nfs/dbraw/zinc/61/59/52/898615952.db2.gz NEVHJRKGTMESDP-UUOWRZLLSA-N 2 1 391.515 3.946 20 0 GHADMP COCCC[NH+]1CCC(N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485818 898705622 /nfs/dbraw/zinc/70/56/22/898705622.db2.gz PIAWOYODVHTWPF-ZKMPZPQNSA-N 2 1 399.623 3.768 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485818 898705629 /nfs/dbraw/zinc/70/56/29/898705629.db2.gz PIAWOYODVHTWPF-ZKMPZPQNSA-N 3 1 399.623 3.768 20 0 GHADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485818 898705637 /nfs/dbraw/zinc/70/56/37/898705637.db2.gz PIAWOYODVHTWPF-ZKMPZPQNSA-N 3 1 399.623 3.768 20 0 GHADMP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)N1CCc2ccccc2C1 ZINC001136677145 898846793 /nfs/dbraw/zinc/84/67/93/898846793.db2.gz FPDBSZBFZHMZLZ-HXUWFJFHSA-N 2 1 391.559 3.556 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1F ZINC000112545880 898891496 /nfs/dbraw/zinc/89/14/96/898891496.db2.gz XBUJWUVIFVWLOU-YJBOKZPZSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1F ZINC000112545880 898891508 /nfs/dbraw/zinc/89/15/08/898891508.db2.gz XBUJWUVIFVWLOU-YJBOKZPZSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(O)c1 ZINC000570219222 899202226 /nfs/dbraw/zinc/20/22/26/899202226.db2.gz JDPCXKPZAGYLFI-DENIHFKCSA-N 2 1 380.532 3.972 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803899 899338703 /nfs/dbraw/zinc/33/87/03/899338703.db2.gz NGBKWXFLJDQBRK-MOPGFXCFSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803899 899338718 /nfs/dbraw/zinc/33/87/18/899338718.db2.gz NGBKWXFLJDQBRK-MOPGFXCFSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001136803899 899338730 /nfs/dbraw/zinc/33/87/30/899338730.db2.gz NGBKWXFLJDQBRK-MOPGFXCFSA-N 2 1 397.485 3.516 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171041709 899355039 /nfs/dbraw/zinc/35/50/39/899355039.db2.gz BWOJFCGXEIKNQT-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171041709 899355042 /nfs/dbraw/zinc/35/50/42/899355042.db2.gz BWOJFCGXEIKNQT-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCc4c(Cl)cccc4C3)C2)C1 ZINC001171041709 899355056 /nfs/dbraw/zinc/35/50/56/899355056.db2.gz BWOJFCGXEIKNQT-ZRCGQRJVSA-N 2 1 388.983 3.878 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000824332820 899533967 /nfs/dbraw/zinc/53/39/67/899533967.db2.gz RKHJUKKZSIVMNG-MOPGFXCFSA-N 2 1 379.589 3.830 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824548666 899682058 /nfs/dbraw/zinc/68/20/58/899682058.db2.gz YWLLYPINLVTTOD-IRXDYDNUSA-N 2 1 376.508 3.743 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824553592 899685050 /nfs/dbraw/zinc/68/50/50/899685050.db2.gz DCRVICPEVAGYPG-WQTXXOFMSA-N 2 1 388.519 3.811 20 0 GHADMP C[NH+](C)CC1CC[NH+](Cc2c(Cl)nccc2NC(=O)OC(C)(C)C)CC1 ZINC001136898007 899690085 /nfs/dbraw/zinc/69/00/85/899690085.db2.gz RGEQPIDZVNFOCM-UHFFFAOYSA-N 2 1 382.936 3.856 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001136921105 899760187 /nfs/dbraw/zinc/76/01/87/899760187.db2.gz QDBAEMWKERCHBO-OAQYLSRUSA-N 2 1 397.563 3.691 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001136921105 899760195 /nfs/dbraw/zinc/76/01/95/899760195.db2.gz QDBAEMWKERCHBO-OAQYLSRUSA-N 2 1 397.563 3.691 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC001136921105 899760202 /nfs/dbraw/zinc/76/02/02/899760202.db2.gz QDBAEMWKERCHBO-OAQYLSRUSA-N 2 1 397.563 3.691 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001136921105 899760209 /nfs/dbraw/zinc/76/02/09/899760209.db2.gz QDBAEMWKERCHBO-OAQYLSRUSA-N 2 1 397.563 3.691 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136936813 899813015 /nfs/dbraw/zinc/81/30/15/899813015.db2.gz LDYDSLHGYVOIQB-KNQAVFIVSA-N 2 1 394.506 3.511 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136936813 899813018 /nfs/dbraw/zinc/81/30/18/899813018.db2.gz LDYDSLHGYVOIQB-KNQAVFIVSA-N 2 1 394.506 3.511 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136936813 899813023 /nfs/dbraw/zinc/81/30/23/899813023.db2.gz LDYDSLHGYVOIQB-KNQAVFIVSA-N 2 1 394.506 3.511 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC001136936813 899813027 /nfs/dbraw/zinc/81/30/27/899813027.db2.gz LDYDSLHGYVOIQB-KNQAVFIVSA-N 2 1 394.506 3.511 20 0 GHADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C3(C2)CCOCC3)cc1 ZINC000572000848 900032701 /nfs/dbraw/zinc/03/27/01/900032701.db2.gz VRSAMIZFKUIBOL-QFIPXVFZSA-N 2 1 391.559 3.589 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3ccc4c(n3)CCC4)C3(C2)CCOCC3)cc1 ZINC000572000848 900032710 /nfs/dbraw/zinc/03/27/10/900032710.db2.gz VRSAMIZFKUIBOL-QFIPXVFZSA-N 2 1 391.559 3.589 20 0 GHADMP C/C=C\c1ccc(OC[C@@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)c1 ZINC000572143898 900079064 /nfs/dbraw/zinc/07/90/64/900079064.db2.gz ZJXGBPCVUREFQB-NGXITPROSA-N 2 1 390.568 3.520 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3c(c1)COC3)CC2 ZINC001137024137 900094013 /nfs/dbraw/zinc/09/40/13/900094013.db2.gz RPZBAYDCIVDPJK-UHFFFAOYSA-N 2 1 377.532 3.988 20 0 GHADMP c1cc2c(nc[nH+]c2N[C@H]2CCOC3(CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000884592936 900187336 /nfs/dbraw/zinc/18/73/36/900187336.db2.gz ZESSKURAVVYVJV-SFHVURJKSA-N 2 1 377.492 3.584 20 0 GHADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000572446528 900195058 /nfs/dbraw/zinc/19/50/58/900195058.db2.gz ZOFKQLVQIIAPMV-ISKFKSNPSA-N 2 1 382.548 3.641 20 0 GHADMP COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000572446528 900195062 /nfs/dbraw/zinc/19/50/62/900195062.db2.gz ZOFKQLVQIIAPMV-ISKFKSNPSA-N 2 1 382.548 3.641 20 0 GHADMP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)c1 ZINC000825503740 900202476 /nfs/dbraw/zinc/20/24/76/900202476.db2.gz GDSYFXVJDNHWLU-QHCPKHFHSA-N 2 1 399.579 3.573 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccnc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001143691641 900353485 /nfs/dbraw/zinc/35/34/85/900353485.db2.gz KJBIHQAJKWYGEP-UHFFFAOYSA-N 2 1 376.545 3.981 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnc(C2OCCO2)s1 ZINC000289948606 914443459 /nfs/dbraw/zinc/44/34/59/914443459.db2.gz ZVSYCMZHESRLCI-GOSISDBHSA-N 2 1 387.549 3.579 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)cc2)C1 ZINC000885923693 900639804 /nfs/dbraw/zinc/63/98/04/900639804.db2.gz ARLZONHUFQZHRA-MZKRTTBSSA-N 2 1 386.580 3.982 20 0 GHADMP CC(=O)N(c1nc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cs1)c1ccc(C)cc1 ZINC000573936766 900707482 /nfs/dbraw/zinc/70/74/82/900707482.db2.gz OGYJGHAHKPHZDA-VQTJNVASSA-N 2 1 384.549 3.614 20 0 GHADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCCC1 ZINC001144054760 901025149 /nfs/dbraw/zinc/02/51/49/901025149.db2.gz CPVBZNAAHQRCRY-IBGZPJMESA-N 2 1 377.960 3.685 20 0 GHADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCCC1 ZINC001144054760 901025160 /nfs/dbraw/zinc/02/51/60/901025160.db2.gz CPVBZNAAHQRCRY-IBGZPJMESA-N 2 1 377.960 3.685 20 0 GHADMP Cc1ccc(Oc2cccc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)c2)cc1 ZINC001144091107 901055536 /nfs/dbraw/zinc/05/55/36/901055536.db2.gz WBSGKHGQDWJTQL-UHFFFAOYSA-N 2 1 379.548 3.999 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000886504199 901092042 /nfs/dbraw/zinc/09/20/42/901092042.db2.gz VJMSWNIISFATAM-HXUWFJFHSA-N 2 1 396.535 3.526 20 0 GHADMP Cc1cc(C)c(NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(C)n1 ZINC000575840637 901366056 /nfs/dbraw/zinc/36/60/56/901366056.db2.gz HPDWHRWIRYUNFQ-LJQANCHMSA-N 2 1 384.549 3.746 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000093770302 901565186 /nfs/dbraw/zinc/56/51/86/901565186.db2.gz ZDJTVXAHDNCLJE-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000093770302 901565196 /nfs/dbraw/zinc/56/51/96/901565196.db2.gz ZDJTVXAHDNCLJE-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000093770302 901565206 /nfs/dbraw/zinc/56/52/06/901565206.db2.gz ZDJTVXAHDNCLJE-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000093770302 901565217 /nfs/dbraw/zinc/56/52/17/901565217.db2.gz ZDJTVXAHDNCLJE-LJQANCHMSA-N 2 1 375.520 3.708 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646497115 914568236 /nfs/dbraw/zinc/56/82/36/914568236.db2.gz PAAVQSYTRCBKAM-HNAYVOBHSA-N 2 1 398.378 3.982 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000576553684 902093304 /nfs/dbraw/zinc/09/33/04/902093304.db2.gz YNVWGUQWBDHBIU-HUVFLSCGSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000576553681 902093470 /nfs/dbraw/zinc/09/34/70/902093470.db2.gz YNVWGUQWBDHBIU-AGILITTLSA-N 2 1 391.559 3.660 20 0 GHADMP Cc1cc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn2cc[nH+]c12 ZINC000576711091 902210841 /nfs/dbraw/zinc/21/08/41/902210841.db2.gz XINLYBKAMZDNDT-KRWDZBQOSA-N 2 1 377.492 3.990 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C[C@H](C)O1 ZINC000576789438 902263317 /nfs/dbraw/zinc/26/33/17/902263317.db2.gz KKYLSUUSYGUFTB-IRXDYDNUSA-N 2 1 393.597 3.501 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000577297347 902658833 /nfs/dbraw/zinc/65/88/33/902658833.db2.gz DAPUFTIGGDKEAO-WMZHIEFXSA-N 2 1 377.532 3.675 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577489592 902816596 /nfs/dbraw/zinc/81/65/96/902816596.db2.gz YHGPIWBOUYRISO-UZLBHIALSA-N 2 1 395.950 3.887 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000600834219 902980158 /nfs/dbraw/zinc/98/01/58/902980158.db2.gz OZGSYLIRAREHRZ-RBUKOAKNSA-N 2 1 390.572 3.616 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000600850633 903002263 /nfs/dbraw/zinc/00/22/63/903002263.db2.gz JFOYMLZJJRVSDT-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000600850633 903002274 /nfs/dbraw/zinc/00/22/74/903002274.db2.gz JFOYMLZJJRVSDT-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000600850633 903002286 /nfs/dbraw/zinc/00/22/86/903002286.db2.gz JFOYMLZJJRVSDT-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000290438889 914682564 /nfs/dbraw/zinc/68/25/64/914682564.db2.gz VMONRIOJCINHQJ-RXVVDRJESA-N 2 1 384.495 3.568 20 0 GHADMP [NH3+][C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000577749255 903153279 /nfs/dbraw/zinc/15/32/79/903153279.db2.gz VBSOMYWIEQHTET-ZLNRFVROSA-N 2 1 377.532 3.590 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000772953674 903211817 /nfs/dbraw/zinc/21/18/17/903211817.db2.gz SMXYJRRMKPHUSE-HXUWFJFHSA-N 2 1 381.605 3.981 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000132798898 903310149 /nfs/dbraw/zinc/31/01/49/903310149.db2.gz JJURMSAATYFZGG-KBPBESRZSA-N 2 1 385.321 3.740 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000578002008 903434966 /nfs/dbraw/zinc/43/49/66/903434966.db2.gz BCOZOSFRWYPDRH-HUUCEWRRSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000578002008 903434973 /nfs/dbraw/zinc/43/49/73/903434973.db2.gz BCOZOSFRWYPDRH-HUUCEWRRSA-N 2 1 387.337 3.610 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000601236680 903494301 /nfs/dbraw/zinc/49/43/01/903494301.db2.gz QLIYXFZLOYRCDR-DENIHFKCSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[NH+](C4CC4)C3)cc2)C1 ZINC000601242291 903501988 /nfs/dbraw/zinc/50/19/88/903501988.db2.gz LBIQLPVCABQLEO-SELNLUPBSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)cc2)C1 ZINC000601242291 903501994 /nfs/dbraw/zinc/50/19/94/903501994.db2.gz LBIQLPVCABQLEO-SELNLUPBSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)cc2)C1 ZINC000601242291 903502002 /nfs/dbraw/zinc/50/20/02/903502002.db2.gz LBIQLPVCABQLEO-SELNLUPBSA-N 2 1 398.595 3.543 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000779047994 903535374 /nfs/dbraw/zinc/53/53/74/903535374.db2.gz HJCFQSZMALIIGR-RTWAWAEBSA-N 2 1 387.568 3.540 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000265006573 903552271 /nfs/dbraw/zinc/55/22/71/903552271.db2.gz WFGMKMHAWHFOTD-INIZCTEOSA-N 2 1 395.576 3.808 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000578168877 903582778 /nfs/dbraw/zinc/58/27/78/903582778.db2.gz CLONVMRCOWUBIA-UHFFFAOYSA-N 2 1 398.732 3.728 20 0 GHADMP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000578477329 903883451 /nfs/dbraw/zinc/88/34/51/903883451.db2.gz NAGSSQKFRAOQAF-GOSISDBHSA-N 2 1 384.524 3.540 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000048745014 904089619 /nfs/dbraw/zinc/08/96/19/904089619.db2.gz MIGSLORTTHEMDX-LJQANCHMSA-N 2 1 390.531 3.979 20 0 GHADMP COCc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1OC ZINC000153489612 904367879 /nfs/dbraw/zinc/36/78/79/904367879.db2.gz UOXJVOURJCPLAT-MOPGFXCFSA-N 2 1 398.547 3.913 20 0 GHADMP COCc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1OC ZINC000153489612 904367895 /nfs/dbraw/zinc/36/78/95/904367895.db2.gz UOXJVOURJCPLAT-MOPGFXCFSA-N 2 1 398.547 3.913 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[NH+](CC)CC)cc1 ZINC000579187805 904408975 /nfs/dbraw/zinc/40/89/75/904408975.db2.gz LZXPDAOIXFBBSA-RBBKRZOGSA-N 2 1 388.600 3.661 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+]Cc2ccc(OCC3CCOCC3)nc2)CC1(C)C ZINC001171626834 904890495 /nfs/dbraw/zinc/89/04/95/904890495.db2.gz CSXLIMKZBJMEDN-UHFFFAOYSA-N 2 1 375.557 3.628 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1(C)C ZINC001171635388 904923995 /nfs/dbraw/zinc/92/39/95/904923995.db2.gz XWAUEIIHIQRYOC-OAQYLSRUSA-N 2 1 375.582 3.828 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1(C)C ZINC001171636012 904924124 /nfs/dbraw/zinc/92/41/24/904924124.db2.gz CKVVMHOSKPXBSV-UHFFFAOYSA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1(C)C ZINC001171639570 904928053 /nfs/dbraw/zinc/92/80/53/904928053.db2.gz PJCJLCDAJZYDMY-DLBZAZTESA-N 2 1 379.589 3.827 20 0 GHADMP COc1ccc(C[NH+]2CCC(N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171726588 904951564 /nfs/dbraw/zinc/95/15/64/904951564.db2.gz YLOQBPKZYOCQHK-RDPSFJRHSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(C[NH+]2CCC(N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001171726588 904951574 /nfs/dbraw/zinc/95/15/74/904951574.db2.gz YLOQBPKZYOCQHK-RDPSFJRHSA-N 2 1 393.575 3.912 20 0 GHADMP CO[C@H](C[NH+]1CCN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001171759139 904992680 /nfs/dbraw/zinc/99/26/80/904992680.db2.gz HFIQDKINYVEIHW-IEZKXTBUSA-N 2 1 393.575 3.655 20 0 GHADMP CO[C@H](C[NH+]1CCN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001171759139 904992693 /nfs/dbraw/zinc/99/26/93/904992693.db2.gz HFIQDKINYVEIHW-IEZKXTBUSA-N 2 1 393.575 3.655 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821907 905037950 /nfs/dbraw/zinc/03/79/50/905037950.db2.gz IOTPNKLHYQMVOF-RMMWZPCPSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821907 905037971 /nfs/dbraw/zinc/03/79/71/905037971.db2.gz IOTPNKLHYQMVOF-RMMWZPCPSA-N 2 1 379.589 3.827 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821907 905037990 /nfs/dbraw/zinc/03/79/90/905037990.db2.gz IOTPNKLHYQMVOF-RMMWZPCPSA-N 2 1 379.589 3.827 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)C2 ZINC001171834588 905084898 /nfs/dbraw/zinc/08/48/98/905084898.db2.gz ZAJWIXKFVFLMQV-OKYOBFRVSA-N 2 1 377.573 3.914 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)C2 ZINC001171834588 905084917 /nfs/dbraw/zinc/08/49/17/905084917.db2.gz ZAJWIXKFVFLMQV-OKYOBFRVSA-N 2 1 377.573 3.914 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC[C@@]3(CCN3c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171981893 905233925 /nfs/dbraw/zinc/23/39/25/905233925.db2.gz QVWVFFNEJWLAGM-ZJSXRUAMSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981893 905233939 /nfs/dbraw/zinc/23/39/39/905233939.db2.gz QVWVFFNEJWLAGM-ZJSXRUAMSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171981893 905233955 /nfs/dbraw/zinc/23/39/55/905233955.db2.gz QVWVFFNEJWLAGM-ZJSXRUAMSA-N 2 1 391.563 3.574 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@]2(O)CCOc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001171981983 905235273 /nfs/dbraw/zinc/23/52/73/905235273.db2.gz FOHNYBMYDHSGOG-HYBUGGRVSA-N 2 1 380.532 3.690 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984423 905241273 /nfs/dbraw/zinc/24/12/73/905241273.db2.gz LEETYNUZFQSHEZ-IBGZPJMESA-N 2 1 376.516 3.797 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984423 905241290 /nfs/dbraw/zinc/24/12/90/905241290.db2.gz LEETYNUZFQSHEZ-IBGZPJMESA-N 2 1 376.516 3.797 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987400 905248015 /nfs/dbraw/zinc/24/80/15/905248015.db2.gz UWVRNLRTFGHJCL-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987400 905248029 /nfs/dbraw/zinc/24/80/29/905248029.db2.gz UWVRNLRTFGHJCL-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987400 905248041 /nfs/dbraw/zinc/24/80/41/905248041.db2.gz UWVRNLRTFGHJCL-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP Cc1cncnc1O[C@@H]1CC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987400 905248051 /nfs/dbraw/zinc/24/80/51/905248051.db2.gz UWVRNLRTFGHJCL-LEWJYISDSA-N 2 1 380.536 3.681 20 0 GHADMP O=C1Nc2ccccc2[C@H]1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172070622 905273947 /nfs/dbraw/zinc/27/39/47/905273947.db2.gz QDRVVGLAFFRJTF-XAPVIXHLSA-N 2 1 375.516 3.898 20 0 GHADMP O=C(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC001172072816 905278333 /nfs/dbraw/zinc/27/83/33/905278333.db2.gz NGMVFLOQXYVTSQ-JOZNFPNDSA-N 2 1 391.559 3.868 20 0 GHADMP CC(C)(C(N)=O)C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172075756 905283506 /nfs/dbraw/zinc/28/35/06/905283506.db2.gz STVSCNRRNDVGFF-KOUNCHBCSA-N 2 1 383.580 3.796 20 0 GHADMP O=C1OCCCN1C1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172089037 905307975 /nfs/dbraw/zinc/30/79/75/905307975.db2.gz PJFYENYWPCZFOV-JKHIJQBDSA-N 2 1 397.563 3.879 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001172061326 905321975 /nfs/dbraw/zinc/32/19/75/905321975.db2.gz GDGUUSUKWWEEBF-WBDAEOGXSA-N 2 1 377.532 3.592 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C3(CCCCC3)C1)C2 ZINC001172061785 905324542 /nfs/dbraw/zinc/32/45/42/905324542.db2.gz NORHKHULMHPZDO-WOIUINJBSA-N 2 1 391.600 3.972 20 0 GHADMP CCOC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172062747 905324622 /nfs/dbraw/zinc/32/46/22/905324622.db2.gz RSOLEJFAKJTQFT-DKUWSORSSA-N 2 1 385.552 3.783 20 0 GHADMP CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065271 905332513 /nfs/dbraw/zinc/33/25/13/905332513.db2.gz JUHAEKNSWDXZKI-YUMYIRISSA-N 2 1 383.580 3.809 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172129949 905342336 /nfs/dbraw/zinc/34/23/36/905342336.db2.gz FOTYBHGOOUERHG-ACDBMABISA-N 2 1 399.579 3.685 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172129949 905342346 /nfs/dbraw/zinc/34/23/46/905342346.db2.gz FOTYBHGOOUERHG-ACDBMABISA-N 2 1 399.579 3.685 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H]3CC[C@H](C1)C3C(=O)Nc1cccc(F)c1)C2 ZINC001172114836 905361870 /nfs/dbraw/zinc/36/18/70/905361870.db2.gz DVWWBUOWFIWCDP-CBWCPZTQSA-N 2 1 385.527 3.738 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H]3CC[C@H](C1)C3C(=O)Nc1cccc(F)c1)C2 ZINC001172114836 905361885 /nfs/dbraw/zinc/36/18/85/905361885.db2.gz DVWWBUOWFIWCDP-CBWCPZTQSA-N 2 1 385.527 3.738 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H]3CC[C@H](C1)C3C(=O)Nc1cccc(F)c1)C2 ZINC001172114836 905361916 /nfs/dbraw/zinc/36/19/16/905361916.db2.gz DVWWBUOWFIWCDP-CBWCPZTQSA-N 2 1 385.527 3.738 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117847 905372635 /nfs/dbraw/zinc/37/26/35/905372635.db2.gz SJWZZBIKWZSPGZ-PXCRPINLSA-N 2 1 390.522 3.634 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117847 905372651 /nfs/dbraw/zinc/37/26/51/905372651.db2.gz SJWZZBIKWZSPGZ-PXCRPINLSA-N 2 1 390.522 3.634 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C1)C2 ZINC001172117847 905372662 /nfs/dbraw/zinc/37/26/62/905372662.db2.gz SJWZZBIKWZSPGZ-PXCRPINLSA-N 2 1 390.522 3.634 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122305 905384173 /nfs/dbraw/zinc/38/41/73/905384173.db2.gz ZJRZHYVWHPMLRQ-ZSXDVEMLSA-N 2 1 395.563 3.577 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122305 905384183 /nfs/dbraw/zinc/38/41/83/905384183.db2.gz ZJRZHYVWHPMLRQ-ZSXDVEMLSA-N 2 1 395.563 3.577 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122305 905384194 /nfs/dbraw/zinc/38/41/94/905384194.db2.gz ZJRZHYVWHPMLRQ-ZSXDVEMLSA-N 2 1 395.563 3.577 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H](CF)[C@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122305 905384214 /nfs/dbraw/zinc/38/42/14/905384214.db2.gz ZJRZHYVWHPMLRQ-ZSXDVEMLSA-N 2 1 395.563 3.577 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172192377 905387896 /nfs/dbraw/zinc/38/78/96/905387896.db2.gz BQIUBTWKOMXXJM-SFHVURJKSA-N 2 1 393.597 3.530 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC001172211013 905409817 /nfs/dbraw/zinc/40/98/17/905409817.db2.gz FWRYHHFEPAWEOG-UHFFFAOYSA-N 2 1 378.944 3.895 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001172211518 905412196 /nfs/dbraw/zinc/41/21/96/905412196.db2.gz HDWXBYQVCAMBTN-MMXVYOJRSA-N 2 1 378.944 3.623 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001172211518 905412207 /nfs/dbraw/zinc/41/22/07/905412207.db2.gz HDWXBYQVCAMBTN-MMXVYOJRSA-N 2 1 378.944 3.623 20 0 GHADMP CC[N@@H+]1C[C@@H]2C[NH+](C3CCC(C(=O)OC)(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001172218248 905423202 /nfs/dbraw/zinc/42/32/02/905423202.db2.gz ZTONWLHAHFJHIK-DCEJCQMCSA-N 2 1 390.955 3.577 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@H+](C3CCC(C(=O)OC)(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001172218248 905423210 /nfs/dbraw/zinc/42/32/10/905423210.db2.gz ZTONWLHAHFJHIK-DCEJCQMCSA-N 2 1 390.955 3.577 20 0 GHADMP CC[NH+]1C[C@@H]2C[N@@H+](C3CCC(C(=O)OC)(c4ccc(Cl)cc4)CC3)C[C@@H]2C1 ZINC001172218248 905423220 /nfs/dbraw/zinc/42/32/20/905423220.db2.gz ZTONWLHAHFJHIK-DCEJCQMCSA-N 2 1 390.955 3.577 20 0 GHADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(N(C)C(=O)OC(C)(C)C)c2)CC1 ZINC001172251052 905448590 /nfs/dbraw/zinc/44/85/90/905448590.db2.gz YEZBIQOJUINYQO-UHFFFAOYSA-N 2 1 391.556 3.648 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+]([C@@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172560758 905623421 /nfs/dbraw/zinc/62/34/21/905623421.db2.gz SSOORHKVRJHMLB-IFMALSPDSA-N 2 1 394.563 3.626 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172560758 905623434 /nfs/dbraw/zinc/62/34/34/905623434.db2.gz SSOORHKVRJHMLB-IFMALSPDSA-N 2 1 394.563 3.626 20 0 GHADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)CCC2 ZINC001172560758 905623441 /nfs/dbraw/zinc/62/34/41/905623441.db2.gz SSOORHKVRJHMLB-IFMALSPDSA-N 2 1 394.563 3.626 20 0 GHADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628218700 906018916 /nfs/dbraw/zinc/01/89/16/906018916.db2.gz NQTGQXAKKAFULI-PZJWPPBQSA-N 2 1 392.465 3.721 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628218700 906018930 /nfs/dbraw/zinc/01/89/30/906018930.db2.gz NQTGQXAKKAFULI-PZJWPPBQSA-N 2 1 392.465 3.721 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH+]1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001172960649 906069741 /nfs/dbraw/zinc/06/97/41/906069741.db2.gz WRSAMJONPCZJBO-MRXNPFEDSA-N 2 1 379.520 3.721 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173042273 906112193 /nfs/dbraw/zinc/11/21/93/906112193.db2.gz LUDNCGBHBBFISO-UHFFFAOYSA-N 2 1 397.604 3.552 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001173108370 906194464 /nfs/dbraw/zinc/19/44/64/906194464.db2.gz DEAFILJHHVFNAA-DCCYDQLOSA-N 2 1 379.589 3.971 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@@H]1F ZINC001206200134 906468113 /nfs/dbraw/zinc/46/81/13/906468113.db2.gz QLWCKVLWPWBQTA-DLBZAZTESA-N 2 1 383.389 3.908 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[C@@H]1F ZINC001206200134 906468119 /nfs/dbraw/zinc/46/81/19/906468119.db2.gz QLWCKVLWPWBQTA-DLBZAZTESA-N 2 1 383.389 3.908 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1nc2c(s1)CCCC2 ZINC000179442904 906504077 /nfs/dbraw/zinc/50/40/77/906504077.db2.gz SBDUJTRMQLWFPT-MRXNPFEDSA-N 2 1 385.577 3.829 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@@H+](C)C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001173622509 906571627 /nfs/dbraw/zinc/57/16/27/906571627.db2.gz KGPPIDUWBAPXSM-TURIGRFTSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+](C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001173622509 906571634 /nfs/dbraw/zinc/57/16/34/906571634.db2.gz KGPPIDUWBAPXSM-TURIGRFTSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+](C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001173622509 906571636 /nfs/dbraw/zinc/57/16/36/906571636.db2.gz KGPPIDUWBAPXSM-TURIGRFTSA-N 2 1 384.564 3.952 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173768916 906687724 /nfs/dbraw/zinc/68/77/24/906687724.db2.gz HTZCKUIDXDYZOZ-INIZCTEOSA-N 2 1 395.950 3.938 20 0 GHADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccccc1C[NH+](C)C ZINC001173930266 906753877 /nfs/dbraw/zinc/75/38/77/906753877.db2.gz BEDFZJKSWLKYRA-UHFFFAOYSA-N 2 1 380.492 3.657 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000629601188 906892911 /nfs/dbraw/zinc/89/29/11/906892911.db2.gz IMHIXLQFTRGJAQ-KRWDZBQOSA-N 2 1 377.488 3.861 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000629601188 906892920 /nfs/dbraw/zinc/89/29/20/906892920.db2.gz IMHIXLQFTRGJAQ-KRWDZBQOSA-N 2 1 377.488 3.861 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2([NH3+])CCOCC2)cc1C ZINC000629655301 906931010 /nfs/dbraw/zinc/93/10/10/906931010.db2.gz UZUDSOUBBJCNSW-UHFFFAOYSA-N 2 1 390.531 3.754 20 0 GHADMP c1csc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000629675082 906952182 /nfs/dbraw/zinc/95/21/82/906952182.db2.gz MUZIGJUTRUDWMB-OKZBNKHCSA-N 2 1 380.517 3.939 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](Cn2cc(-c3cccc(C[NH+]4CCC[C@H]4C)c3)cn2)C1 ZINC000629702783 906971400 /nfs/dbraw/zinc/97/14/00/906971400.db2.gz UWTJWLUPPPMBJQ-XXBNENTESA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@H](Cn2cc(-c3cccc(C[N@@H+]4CCC[C@H]4C)c3)cn2)C1 ZINC000629702783 906971408 /nfs/dbraw/zinc/97/14/08/906971408.db2.gz UWTJWLUPPPMBJQ-XXBNENTESA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@H](Cn2cc(-c3cccc(C[N@H+]4CCC[C@H]4C)c3)cn2)C1 ZINC000629702783 906971421 /nfs/dbraw/zinc/97/14/21/906971421.db2.gz UWTJWLUPPPMBJQ-XXBNENTESA-N 2 1 382.552 3.644 20 0 GHADMP Cc1cc(-c2ccc(OCC[NH+]3CCN(C)CC3)cc2)ccc1[C@@H]1CCC[NH2+]1 ZINC000629706434 906974038 /nfs/dbraw/zinc/97/40/38/906974038.db2.gz ZLTGPBVZNCEFDU-DEOSSOPVSA-N 2 1 379.548 3.713 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCCO2 ZINC000182249309 907169939 /nfs/dbraw/zinc/16/99/39/907169939.db2.gz ZDCQJIJGVHHALM-XMSQKQJNSA-N 2 1 396.531 3.655 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1OC(F)F ZINC000182268220 907173512 /nfs/dbraw/zinc/17/35/12/907173512.db2.gz VDZPLINQXOPEGS-KSSFIOAISA-N 2 1 394.437 3.845 20 0 GHADMP Cc1cncc([C@H](C)[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000184340789 907566978 /nfs/dbraw/zinc/56/69/78/907566978.db2.gz QJYVMYKZBYMQPQ-IBGZPJMESA-N 2 1 383.536 3.730 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CC[C@H](C2OCCO2)C1)c1ccccc1 ZINC001176209655 907984864 /nfs/dbraw/zinc/98/48/64/907984864.db2.gz IYLKNYNASZXNKS-GOTSBHOMSA-N 2 1 380.532 3.597 20 0 GHADMP C[NH+](C)CCOc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC001176228088 907994694 /nfs/dbraw/zinc/99/46/94/907994694.db2.gz YQUJZSZUUKFOPL-UHFFFAOYSA-N 2 1 388.943 3.776 20 0 GHADMP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192934675 908024976 /nfs/dbraw/zinc/02/49/76/908024976.db2.gz NMMVYBDSLMNGHQ-MWXLCCTBSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)c(Cl)cc1O ZINC000193059052 908065863 /nfs/dbraw/zinc/06/58/63/908065863.db2.gz DVTGEIZVDZYYLX-LBPRGKRZSA-N 2 1 384.307 3.885 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002913 908358510 /nfs/dbraw/zinc/35/85/10/908358510.db2.gz PBDDXVGZISVHMQ-VWNXMTODSA-N 2 1 378.516 3.541 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@@H+]1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002913 908358524 /nfs/dbraw/zinc/35/85/24/908358524.db2.gz PBDDXVGZISVHMQ-VWNXMTODSA-N 2 1 378.516 3.541 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](C[N@H+]1CC[C@]2(CCOC2=O)C1)c1ccccc1 ZINC001177002913 908358538 /nfs/dbraw/zinc/35/85/38/908358538.db2.gz PBDDXVGZISVHMQ-VWNXMTODSA-N 2 1 378.516 3.541 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2cn(Cc3ccccc3)nn2)C1 ZINC001177262270 908505956 /nfs/dbraw/zinc/50/59/56/908505956.db2.gz RZWLZIFPFDJWCV-HXUWFJFHSA-N 2 1 389.547 3.848 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000191510127 908635638 /nfs/dbraw/zinc/63/56/38/908635638.db2.gz OXHOPGMXJRNDQN-IBGZPJMESA-N 2 1 397.567 3.785 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000191510127 908635643 /nfs/dbraw/zinc/63/56/43/908635643.db2.gz OXHOPGMXJRNDQN-IBGZPJMESA-N 2 1 397.567 3.785 20 0 GHADMP CN(C)Cc1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)c2c1OC(F)(F)O2 ZINC001177679123 908693377 /nfs/dbraw/zinc/69/33/77/908693377.db2.gz LMMZRBCOALVMDI-UHFFFAOYSA-N 2 1 397.510 3.816 20 0 GHADMP O=[N+]([O-])c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000194028234 908844866 /nfs/dbraw/zinc/84/48/66/908844866.db2.gz OPFRRYPPHCVYCU-UHFFFAOYSA-N 2 1 376.457 3.591 20 0 GHADMP COc1cc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)ccc1C ZINC000194287464 908933914 /nfs/dbraw/zinc/93/39/14/908933914.db2.gz XFHLAIFTCZXIEQ-UHFFFAOYSA-N 2 1 398.547 3.783 20 0 GHADMP CCc1onc(C)c1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC001178350547 909009666 /nfs/dbraw/zinc/00/96/66/909009666.db2.gz GYUVIZDMTZNSMC-HDICACEKSA-N 2 1 385.552 3.844 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001179338806 909495603 /nfs/dbraw/zinc/49/56/03/909495603.db2.gz OJDHWKVHRCRQEK-AZUAARDMSA-N 2 1 378.495 3.869 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001179338806 909495606 /nfs/dbraw/zinc/49/56/06/909495606.db2.gz OJDHWKVHRCRQEK-AZUAARDMSA-N 2 1 378.495 3.869 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1cccc(Cl)c1 ZINC001179506658 909573523 /nfs/dbraw/zinc/57/35/23/909573523.db2.gz FBXMRCGILOYIKA-QFIPXVFZSA-N 2 1 390.930 3.679 20 0 GHADMP CCOc1ccc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000637939073 910007349 /nfs/dbraw/zinc/00/73/49/910007349.db2.gz COQYDOVVTMJXSE-UHFFFAOYSA-N 2 1 381.520 3.716 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]CCCCN2CC[NH+](CC)CC2)cc1OCC ZINC000268811317 910027786 /nfs/dbraw/zinc/02/77/86/910027786.db2.gz LAXGNUQYNPHQPS-IBGZPJMESA-N 2 1 377.573 3.552 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001180194543 910030445 /nfs/dbraw/zinc/03/04/45/910030445.db2.gz GNVRLMXHNKKKSX-PXDATVDWSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@@H](C(=O)NC3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001180194543 910030451 /nfs/dbraw/zinc/03/04/51/910030451.db2.gz GNVRLMXHNKKKSX-PXDATVDWSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC[C@@H](C(=O)NC3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180194543 910030464 /nfs/dbraw/zinc/03/04/64/910030464.db2.gz GNVRLMXHNKKKSX-PXDATVDWSA-N 2 1 397.607 3.915 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC(c3ccsc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638288881 910105653 /nfs/dbraw/zinc/10/56/53/910105653.db2.gz DGOXLVMSZNSVBZ-UHFFFAOYSA-N 2 1 397.588 3.838 20 0 GHADMP C[C@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000638398243 910146050 /nfs/dbraw/zinc/14/60/50/910146050.db2.gz KHKUYLWBXWMLHK-KRWDZBQOSA-N 2 1 393.522 3.700 20 0 GHADMP CN1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1c1ccc(Br)cc1 ZINC000638588284 910197233 /nfs/dbraw/zinc/19/72/33/910197233.db2.gz KQCFFKGEJJLLRN-ATZDWAIDSA-N 2 1 380.374 3.516 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000639087097 910310544 /nfs/dbraw/zinc/31/05/44/910310544.db2.gz CLSHYDULCDYUMX-IFMALSPDSA-N 2 1 379.552 3.645 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000639087097 910310558 /nfs/dbraw/zinc/31/05/58/910310558.db2.gz CLSHYDULCDYUMX-IFMALSPDSA-N 2 1 379.552 3.645 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C4CC4)[C@H](c4ccccc4)C3)C2)n(C)n1 ZINC000639121928 910324167 /nfs/dbraw/zinc/32/41/67/910324167.db2.gz CNAWKCIFXKRLDL-FUDKSRODSA-N 2 1 393.579 3.655 20 0 GHADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C4CC4)[C@H](c4ccccc4)C3)C2)n(C)n1 ZINC000639121928 910324177 /nfs/dbraw/zinc/32/41/77/910324177.db2.gz CNAWKCIFXKRLDL-FUDKSRODSA-N 2 1 393.579 3.655 20 0 GHADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1Cc2c(cccc2Cl)C1=O ZINC000795442669 910332830 /nfs/dbraw/zinc/33/28/30/910332830.db2.gz ASNIMKWDYXVSRL-UHFFFAOYSA-N 2 1 398.938 3.887 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1Cc2c(cccc2Cl)C1=O ZINC000795442669 910332849 /nfs/dbraw/zinc/33/28/49/910332849.db2.gz ASNIMKWDYXVSRL-UHFFFAOYSA-N 2 1 398.938 3.887 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639304573 910380254 /nfs/dbraw/zinc/38/02/54/910380254.db2.gz WZIWVPRRTNWAIH-UPVQGACJSA-N 2 1 377.532 3.780 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000639304573 910380269 /nfs/dbraw/zinc/38/02/69/910380269.db2.gz WZIWVPRRTNWAIH-UPVQGACJSA-N 2 1 377.532 3.780 20 0 GHADMP Cn1c2cc(C[NH2+][C@H]3CC[N@H+](C4CC4)[C@@H](c4ccccc4)C3)ccc2oc1=O ZINC000639353407 910397187 /nfs/dbraw/zinc/39/71/87/910397187.db2.gz SDBQLPRTJXTURI-AZUAARDMSA-N 2 1 377.488 3.589 20 0 GHADMP Cn1c2cc(C[NH2+][C@H]3CC[N@@H+](C4CC4)[C@@H](c4ccccc4)C3)ccc2oc1=O ZINC000639353407 910397196 /nfs/dbraw/zinc/39/71/96/910397196.db2.gz SDBQLPRTJXTURI-AZUAARDMSA-N 2 1 377.488 3.589 20 0 GHADMP Cc1nnc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n1C1CC1 ZINC000639724342 910635611 /nfs/dbraw/zinc/63/56/11/910635611.db2.gz AHPBSOGKGYXMKR-UHFFFAOYSA-N 2 1 379.552 3.800 20 0 GHADMP c1n[nH]cc1[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639778938 910660386 /nfs/dbraw/zinc/66/03/86/910660386.db2.gz VWNRVQNCGWSNIR-FGZHOGPDSA-N 2 1 376.508 3.807 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c2c1OC(F)(F)O2 ZINC001181526380 910820295 /nfs/dbraw/zinc/82/02/95/910820295.db2.gz XOHATIWJFBNSPK-JKSUJKDBSA-N 2 1 396.478 3.708 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000247285981 911095740 /nfs/dbraw/zinc/09/57/40/911095740.db2.gz YWEMAJYBTDQVSR-PZJWPPBQSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000247285981 911095758 /nfs/dbraw/zinc/09/57/58/911095758.db2.gz YWEMAJYBTDQVSR-PZJWPPBQSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000247285981 911095772 /nfs/dbraw/zinc/09/57/72/911095772.db2.gz YWEMAJYBTDQVSR-PZJWPPBQSA-N 2 1 391.600 3.972 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-n2ccnc2)nc1 ZINC000283129340 911380335 /nfs/dbraw/zinc/38/03/35/911380335.db2.gz ZPWYHJMAOJWHME-OAQYLSRUSA-N 2 1 375.520 3.658 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(-n2ccnc2)nc1 ZINC000283129340 911380351 /nfs/dbraw/zinc/38/03/51/911380351.db2.gz ZPWYHJMAOJWHME-OAQYLSRUSA-N 2 1 375.520 3.658 20 0 GHADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001182320890 911479739 /nfs/dbraw/zinc/47/97/39/911479739.db2.gz XATPUOKZTVRQKB-PKTZIBPZSA-N 2 1 383.580 3.684 20 0 GHADMP CCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(-c2ccccc2)n1 ZINC000641703248 911487592 /nfs/dbraw/zinc/48/75/92/911487592.db2.gz KTIJXUARVZUBIF-UHFFFAOYSA-N 2 1 390.531 3.692 20 0 GHADMP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000774362333 911670389 /nfs/dbraw/zinc/67/03/89/911670389.db2.gz JXQFMDNJDZKXMA-YOESJJQFSA-N 2 1 385.552 3.639 20 0 GHADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000284586422 911937140 /nfs/dbraw/zinc/93/71/40/911937140.db2.gz JTNXVGTUVYZZFG-GMAHTHKFSA-N 2 1 382.552 3.591 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398406 912054778 /nfs/dbraw/zinc/05/47/78/912054778.db2.gz IWOQUABQHVTPOL-OTWHNJEPSA-N 2 1 379.589 3.876 20 0 GHADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647198145 915080508 /nfs/dbraw/zinc/08/05/08/915080508.db2.gz HPKSWHARUXQJCZ-LEWJYISDSA-N 2 1 378.516 3.786 20 0 GHADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000647198145 915080525 /nfs/dbraw/zinc/08/05/25/915080525.db2.gz HPKSWHARUXQJCZ-LEWJYISDSA-N 2 1 378.516 3.786 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc4n(n3)CCCC4)CC2)cs1 ZINC000647288854 915139380 /nfs/dbraw/zinc/13/93/80/915139380.db2.gz RLJGRWDVHWLFMS-INIZCTEOSA-N 2 1 387.597 3.801 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000647343943 915165574 /nfs/dbraw/zinc/16/55/74/915165574.db2.gz GCNUQYQQCRDDRM-CDXJDZJCSA-N 2 1 395.938 3.917 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(-n2cncn2)cc1Cl ZINC000647343943 915165581 /nfs/dbraw/zinc/16/55/81/915165581.db2.gz GCNUQYQQCRDDRM-CDXJDZJCSA-N 2 1 395.938 3.917 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001187293428 915168931 /nfs/dbraw/zinc/16/89/31/915168931.db2.gz HTQBHFCEDLYQFG-CVDCTZTESA-N 2 1 379.548 3.731 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978477 915460016 /nfs/dbraw/zinc/46/00/16/915460016.db2.gz SSPGXLBKWIUNNE-JQHSSLGASA-N 2 1 397.519 3.674 20 0 GHADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978477 915460026 /nfs/dbraw/zinc/46/00/26/915460026.db2.gz SSPGXLBKWIUNNE-JQHSSLGASA-N 2 1 397.519 3.674 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647991187 915467300 /nfs/dbraw/zinc/46/73/00/915467300.db2.gz HTJUXTINJCAMIU-HSZRJFAPSA-N 2 1 396.579 3.701 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000647991187 915467307 /nfs/dbraw/zinc/46/73/07/915467307.db2.gz HTJUXTINJCAMIU-HSZRJFAPSA-N 2 1 396.579 3.701 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000648054241 915500133 /nfs/dbraw/zinc/50/01/33/915500133.db2.gz ZOUXPVKULWXRJO-QHCPKHFHSA-N 2 1 376.504 3.739 20 0 GHADMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc(C)c1OCc1ccccn1 ZINC000648071812 915508554 /nfs/dbraw/zinc/50/85/54/915508554.db2.gz VMKAUJNSEPDZJH-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000648839316 915903296 /nfs/dbraw/zinc/90/32/96/915903296.db2.gz WDSXNPLGTFLUTI-SBHAEUEKSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000648839316 915903306 /nfs/dbraw/zinc/90/33/06/915903306.db2.gz WDSXNPLGTFLUTI-SBHAEUEKSA-N 2 1 382.552 3.814 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000648909250 915934531 /nfs/dbraw/zinc/93/45/31/915934531.db2.gz KGYIQEAZZHUPQO-CTNGQTDRSA-N 2 1 382.552 3.815 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000648909250 915934550 /nfs/dbraw/zinc/93/45/50/915934550.db2.gz KGYIQEAZZHUPQO-CTNGQTDRSA-N 2 1 382.552 3.815 20 0 GHADMP CC[N@@H+](CCCC1CC[NH+](Cc2snnc2C)CC1)Cc1snnc1C ZINC000649571927 916237806 /nfs/dbraw/zinc/23/78/06/916237806.db2.gz CQUVAHONTZFJPM-UHFFFAOYSA-N 2 1 394.614 3.521 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000775309835 916897133 /nfs/dbraw/zinc/89/71/33/916897133.db2.gz GIYWADXYMABCEJ-PGRDOPGGSA-N 2 1 377.532 3.596 20 0 GHADMP CCCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000650414240 916958178 /nfs/dbraw/zinc/95/81/78/916958178.db2.gz SCTZIIWIKCTAGI-IBGZPJMESA-N 2 1 390.597 3.823 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000650417256 916968884 /nfs/dbraw/zinc/96/88/84/916968884.db2.gz VXVPEQYKEGKISE-PKOBYXMFSA-N 2 1 390.597 3.821 20 0 GHADMP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417589 916971767 /nfs/dbraw/zinc/97/17/67/916971767.db2.gz NMTATBIZXNLWCC-GOSISDBHSA-N 2 1 390.597 3.726 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)C1 ZINC000775387641 917347036 /nfs/dbraw/zinc/34/70/36/917347036.db2.gz ZWFRUKXYBSSUDA-QAPCUYQASA-N 2 1 397.535 3.556 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCc2ccccc21 ZINC000651883171 917729150 /nfs/dbraw/zinc/72/91/50/917729150.db2.gz YXJNOAMFTZIOKJ-LADGPHEKSA-N 2 1 376.544 3.650 20 0 GHADMP OC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCc2ccccc21 ZINC000651883171 917729156 /nfs/dbraw/zinc/72/91/56/917729156.db2.gz YXJNOAMFTZIOKJ-LADGPHEKSA-N 2 1 376.544 3.650 20 0 GHADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191233726 917868866 /nfs/dbraw/zinc/86/88/66/917868866.db2.gz PRCFYGGNZJNPOA-QKLQHJQFSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191233726 917868885 /nfs/dbraw/zinc/86/88/85/917868885.db2.gz PRCFYGGNZJNPOA-QKLQHJQFSA-N 2 1 377.960 3.714 20 0 GHADMP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)n2)cc1 ZINC000652347094 917877348 /nfs/dbraw/zinc/87/73/48/917877348.db2.gz RHPXRWZRSXJBFL-ZCNNSNEGSA-N 2 1 384.524 3.578 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)C1 ZINC000652349190 917877509 /nfs/dbraw/zinc/87/75/09/917877509.db2.gz FHWWZKNBKIOFOV-SBHAEUEKSA-N 2 1 385.577 3.647 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000652361913 917883098 /nfs/dbraw/zinc/88/30/98/917883098.db2.gz SJMFHFVPBIGEJJ-AHRSYUTCSA-N 2 1 375.900 3.856 20 0 GHADMP CC[C@@H](C)C[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191374944 917979674 /nfs/dbraw/zinc/97/96/74/917979674.db2.gz MFBCSSXTHUVEDC-XLIONFOSSA-N 2 1 379.976 3.961 20 0 GHADMP CC[C@@H](C)C[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001191374944 917979687 /nfs/dbraw/zinc/97/96/87/917979687.db2.gz MFBCSSXTHUVEDC-XLIONFOSSA-N 2 1 379.976 3.961 20 0 GHADMP COC[C@]1(C)CC[NH+](Cc2cc(C[N@@H+]3CC[C@](C)(COC)C3)ccc2F)C1 ZINC000296803588 918767125 /nfs/dbraw/zinc/76/71/25/918767125.db2.gz RBUHXXDSLPRXHX-FCHUYYIVSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@]1(C)CC[N@@H+](Cc2cc(C[NH+]3CC[C@](C)(COC)C3)ccc2F)C1 ZINC000296803588 918767162 /nfs/dbraw/zinc/76/71/62/918767162.db2.gz RBUHXXDSLPRXHX-FCHUYYIVSA-N 2 1 378.532 3.543 20 0 GHADMP COC[C@]1(C)CC[N@H+](Cc2cc(C[NH+]3CC[C@](C)(COC)C3)ccc2F)C1 ZINC000296803588 918767383 /nfs/dbraw/zinc/76/73/83/918767383.db2.gz RBUHXXDSLPRXHX-FCHUYYIVSA-N 2 1 378.532 3.543 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4C)C3)CC2)CC1 ZINC000654680720 919290896 /nfs/dbraw/zinc/29/08/96/919290896.db2.gz COIMRZOZGIMBTQ-NRFANRHFSA-N 2 1 383.580 3.507 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H](O)c3ccccc3Cl)CC2)CC1 ZINC000800349838 919945364 /nfs/dbraw/zinc/94/53/64/919945364.db2.gz UOMLFQBERFTEGB-QFIPXVFZSA-N 2 1 394.003 3.502 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)c1ccccc1Cl ZINC000800349838 919945429 /nfs/dbraw/zinc/94/54/29/919945429.db2.gz UOMLFQBERFTEGB-QFIPXVFZSA-N 3 1 394.003 3.502 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)c1ccccc1Cl ZINC000800349838 919945442 /nfs/dbraw/zinc/94/54/42/919945442.db2.gz UOMLFQBERFTEGB-QFIPXVFZSA-N 3 1 394.003 3.502 20 0 GHADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000298267587 920356459 /nfs/dbraw/zinc/35/64/59/920356459.db2.gz GFEKPMOPWAHVLR-INIZCTEOSA-N 2 1 380.467 3.634 20 0 GHADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)ccc1OCc1c(C)noc1C ZINC000298438918 920534944 /nfs/dbraw/zinc/53/49/44/920534944.db2.gz ZZJOESGAFSVMJH-UHFFFAOYSA-N 2 1 375.513 3.699 20 0 GHADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)ccc1OCc1c(C)noc1C ZINC000298438918 920534951 /nfs/dbraw/zinc/53/49/51/920534951.db2.gz ZZJOESGAFSVMJH-UHFFFAOYSA-N 2 1 375.513 3.699 20 0 GHADMP Cc1cc(C)c(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000900973939 920774469 /nfs/dbraw/zinc/77/44/69/920774469.db2.gz KELGLEHVMRUMCX-UHFFFAOYSA-N 2 1 391.625 3.562 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902947487 922628102 /nfs/dbraw/zinc/62/81/02/922628102.db2.gz JLRFHRMJWKASMH-DNVCBOLYSA-N 2 1 393.453 3.908 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902947487 922628111 /nfs/dbraw/zinc/62/81/11/922628111.db2.gz JLRFHRMJWKASMH-DNVCBOLYSA-N 2 1 393.453 3.908 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062284 922739266 /nfs/dbraw/zinc/73/92/66/922739266.db2.gz QGGIEHUIWOUVGO-PCMWIDPESA-N 3 1 383.580 3.543 20 0 GHADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1OCc1ccncc1 ZINC000368952718 923005105 /nfs/dbraw/zinc/00/51/05/923005105.db2.gz WYPWAUAIYNHXCV-UHFFFAOYSA-N 2 1 381.520 3.729 20 0 GHADMP O[C@H](C[C@H]1CCCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccs1 ZINC000903735383 923239059 /nfs/dbraw/zinc/23/90/59/923239059.db2.gz ZHTGSTDSAMLINA-GUDVDZBRSA-N 2 1 378.582 3.575 20 0 GHADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903957441 923437636 /nfs/dbraw/zinc/43/76/36/923437636.db2.gz RABYTECCGFYCLA-INIZCTEOSA-N 2 1 382.886 3.536 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C(=O)N4CCCC4)cc3)C2)CC1 ZINC000748436619 923638059 /nfs/dbraw/zinc/63/80/59/923638059.db2.gz OPGLPPCGLVGQCX-JOCHJYFZSA-N 2 1 383.580 3.867 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C(=O)N4CCCC4)cc3)C2)CC1 ZINC000748436619 923638069 /nfs/dbraw/zinc/63/80/69/923638069.db2.gz OPGLPPCGLVGQCX-JOCHJYFZSA-N 2 1 383.580 3.867 20 0 GHADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000369837031 923663136 /nfs/dbraw/zinc/66/31/36/923663136.db2.gz YROAZRPGMUTRIB-ICSRJNTNSA-N 2 1 386.584 3.587 20 0 GHADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000369837031 923663144 /nfs/dbraw/zinc/66/31/44/923663144.db2.gz YROAZRPGMUTRIB-ICSRJNTNSA-N 2 1 386.584 3.587 20 0 GHADMP CC1(C)C[C@@H](NC2CC[NH+](Cc3ccncc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000677748266 924476268 /nfs/dbraw/zinc/47/62/68/924476268.db2.gz IVELTIFOYPLAET-HSZRJFAPSA-N 2 1 378.564 3.689 20 0 GHADMP CC1(C)C[C@@H](NC2CC[NH+](Cc3ccncc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000677748266 924476273 /nfs/dbraw/zinc/47/62/73/924476273.db2.gz IVELTIFOYPLAET-HSZRJFAPSA-N 2 1 378.564 3.689 20 0 GHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c(OC)c1 ZINC000678127177 924621428 /nfs/dbraw/zinc/62/14/28/924621428.db2.gz KDFJXPCXFVIRNE-QFIPXVFZSA-N 2 1 384.520 3.981 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000678234375 924679692 /nfs/dbraw/zinc/67/96/92/924679692.db2.gz FMAJORWWXGBIIN-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000678259678 924692758 /nfs/dbraw/zinc/69/27/58/924692758.db2.gz WXWZKBOPSYTUPL-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000678259678 924692763 /nfs/dbraw/zinc/69/27/63/924692763.db2.gz WXWZKBOPSYTUPL-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000678259678 924692771 /nfs/dbraw/zinc/69/27/71/924692771.db2.gz WXWZKBOPSYTUPL-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000678259674 924693191 /nfs/dbraw/zinc/69/31/91/924693191.db2.gz WXWZKBOPSYTUPL-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000678259674 924693192 /nfs/dbraw/zinc/69/31/92/924693192.db2.gz WXWZKBOPSYTUPL-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000678259674 924693197 /nfs/dbraw/zinc/69/31/97/924693197.db2.gz WXWZKBOPSYTUPL-DEOSSOPVSA-N 2 1 387.531 3.755 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678285997 924707504 /nfs/dbraw/zinc/70/75/04/924707504.db2.gz SMAUPDNLRMJABG-SQJMNOBHSA-N 2 1 392.591 3.912 20 0 GHADMP COc1ccc(COCC[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000678465178 924785143 /nfs/dbraw/zinc/78/51/43/924785143.db2.gz NZOVTSAZFJQEEM-UHFFFAOYSA-N 2 1 383.536 3.845 20 0 GHADMP Brc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678686029 924884206 /nfs/dbraw/zinc/88/42/06/924884206.db2.gz NOWOQLAXFCKZJW-HNAYVOBHSA-N 2 1 379.342 3.669 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679994652 925326739 /nfs/dbraw/zinc/32/67/39/925326739.db2.gz LXKMNPBWFUGJTQ-KPYYAMLLSA-N 2 1 393.934 3.746 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000679994652 925326750 /nfs/dbraw/zinc/32/67/50/925326750.db2.gz LXKMNPBWFUGJTQ-KPYYAMLLSA-N 2 1 393.934 3.746 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CCC(C)CC1 ZINC000680038432 925339032 /nfs/dbraw/zinc/33/90/32/925339032.db2.gz MMMSMTUBERDCFE-MLDBQTBOSA-N 2 1 383.580 3.524 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c[nH]c5ncccc45)CC3)C2)cc1 ZINC001137400912 925388080 /nfs/dbraw/zinc/38/80/80/925388080.db2.gz KQEGHWKZDWMCDG-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000680269079 925416305 /nfs/dbraw/zinc/41/63/05/925416305.db2.gz KLIMYEPURXSECB-XQUALCHDSA-N 2 1 391.559 3.706 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000680269079 925416308 /nfs/dbraw/zinc/41/63/08/925416308.db2.gz KLIMYEPURXSECB-XQUALCHDSA-N 2 1 391.559 3.706 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000680269078 925416658 /nfs/dbraw/zinc/41/66/58/925416658.db2.gz KLIMYEPURXSECB-QPXUXIHVSA-N 2 1 391.559 3.706 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000680269078 925416663 /nfs/dbraw/zinc/41/66/63/925416663.db2.gz KLIMYEPURXSECB-QPXUXIHVSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410362986 925567781 /nfs/dbraw/zinc/56/77/81/925567781.db2.gz FDKRSVADXCHQND-UXHICEINSA-N 2 1 386.584 3.735 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000410369339 925588410 /nfs/dbraw/zinc/58/84/10/925588410.db2.gz DOSWTGHIIVBGLQ-QHCPKHFHSA-N 2 1 394.563 3.725 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000410369339 925588421 /nfs/dbraw/zinc/58/84/21/925588421.db2.gz DOSWTGHIIVBGLQ-QHCPKHFHSA-N 2 1 394.563 3.725 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000410369339 925588430 /nfs/dbraw/zinc/58/84/30/925588430.db2.gz DOSWTGHIIVBGLQ-QHCPKHFHSA-N 2 1 394.563 3.725 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000410369339 925588437 /nfs/dbraw/zinc/58/84/37/925588437.db2.gz DOSWTGHIIVBGLQ-QHCPKHFHSA-N 2 1 394.563 3.725 20 0 GHADMP CC[NH+](CC)CCOc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)cc1 ZINC000680777396 925604540 /nfs/dbraw/zinc/60/45/40/925604540.db2.gz LNKBMZSRCCJXDL-YQQQUEKLSA-N 2 1 384.524 3.797 20 0 GHADMP Cc1cc(Cl)ccc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000681098799 925723016 /nfs/dbraw/zinc/72/30/16/925723016.db2.gz HLDROTZJMDYLAS-ROUUACIJSA-N 2 1 380.960 3.739 20 0 GHADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682908603 926294450 /nfs/dbraw/zinc/29/44/50/926294450.db2.gz VAKAXWTURKGJFH-HNAYVOBHSA-N 2 1 381.358 3.613 20 0 GHADMP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000827950883 926374852 /nfs/dbraw/zinc/37/48/52/926374852.db2.gz UNEQMEPEHVQALR-YZGWKJHDSA-N 2 1 379.589 3.734 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000411477866 926445713 /nfs/dbraw/zinc/44/57/13/926445713.db2.gz RHZTZBQEHPVNBE-HNNXBMFYSA-N 2 1 392.459 3.589 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000411512032 926470348 /nfs/dbraw/zinc/47/03/48/926470348.db2.gz ADNJCTSKZLCDPL-JKSUJKDBSA-N 2 1 393.959 3.920 20 0 GHADMP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000726071320 926547219 /nfs/dbraw/zinc/54/72/19/926547219.db2.gz TWIKLJQDDCPNJY-LJQANCHMSA-N 2 1 387.568 3.573 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(F)cc1Cl ZINC000374207723 926898860 /nfs/dbraw/zinc/89/88/60/926898860.db2.gz KDQKPGTUROAAMY-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)C[C@H](C)O1 ZINC000374268152 926956392 /nfs/dbraw/zinc/95/63/92/926956392.db2.gz JKQMVXFPRYZSSC-FUHIMQAGSA-N 2 1 393.597 3.706 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)C[C@H](C)O1 ZINC000374268152 926956402 /nfs/dbraw/zinc/95/64/02/926956402.db2.gz JKQMVXFPRYZSSC-FUHIMQAGSA-N 2 1 393.597 3.706 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c(-c2ccccc2)nc2sccn12 ZINC000749543448 927181201 /nfs/dbraw/zinc/18/12/01/927181201.db2.gz BRIFOARLAOYXJA-WSTZPKSXSA-N 2 1 396.560 3.746 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c(-c2ccccc2)nc2sccn12 ZINC000749543448 927181207 /nfs/dbraw/zinc/18/12/07/927181207.db2.gz BRIFOARLAOYXJA-WSTZPKSXSA-N 2 1 396.560 3.746 20 0 GHADMP Cc1nccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374514694 927228312 /nfs/dbraw/zinc/22/83/12/927228312.db2.gz PJWCSHMAGRPODH-OAQYLSRUSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000374514694 927228321 /nfs/dbraw/zinc/22/83/21/927228321.db2.gz PJWCSHMAGRPODH-OAQYLSRUSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000374514694 927228337 /nfs/dbraw/zinc/22/83/37/927228337.db2.gz PJWCSHMAGRPODH-OAQYLSRUSA-N 2 1 397.567 3.572 20 0 GHADMP CC[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1)CCC(F)(F)F ZINC000412289694 927300190 /nfs/dbraw/zinc/30/01/90/927300190.db2.gz TYKGYUJKCGKIMK-UHFFFAOYSA-N 2 1 385.474 3.677 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000751082430 928019838 /nfs/dbraw/zinc/01/98/38/928019838.db2.gz QRUXIWYPEGMHTQ-XXDDBKGRSA-N 2 1 398.595 3.918 20 0 GHADMP Cc1ccc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)o1 ZINC000466920316 928505256 /nfs/dbraw/zinc/50/52/56/928505256.db2.gz CTOMQKSYYJGUOY-UHFFFAOYSA-N 2 1 375.538 3.788 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000466928159 928512181 /nfs/dbraw/zinc/51/21/81/928512181.db2.gz ZMTJWALHSMWILU-HXUWFJFHSA-N 2 1 387.568 3.516 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000544198638 928921950 /nfs/dbraw/zinc/92/19/50/928921950.db2.gz RQAPHTGRSGWICZ-HBFSDRIKSA-N 2 1 386.584 3.730 20 0 GHADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000544198638 928921961 /nfs/dbraw/zinc/92/19/61/928921961.db2.gz RQAPHTGRSGWICZ-HBFSDRIKSA-N 2 1 386.584 3.730 20 0 GHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000467376885 929015549 /nfs/dbraw/zinc/01/55/49/929015549.db2.gz LMMYQPWVEMGWDP-AOMKIAJQSA-N 2 1 384.495 3.832 20 0 GHADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000467376885 929015561 /nfs/dbraw/zinc/01/55/61/929015561.db2.gz LMMYQPWVEMGWDP-AOMKIAJQSA-N 2 1 384.495 3.832 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C)c1ccccc1 ZINC000544435726 929179902 /nfs/dbraw/zinc/17/99/02/929179902.db2.gz ZDOVVAOOHCVGJR-SRYPRDQNSA-N 2 1 379.548 3.547 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000753096233 929202774 /nfs/dbraw/zinc/20/27/74/929202774.db2.gz DIGLLEPFBWRGJN-RJGXRXQPSA-N 2 1 383.580 3.669 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)o1 ZINC000753119473 929214964 /nfs/dbraw/zinc/21/49/64/929214964.db2.gz XARQVBMHKGEGEJ-UHFFFAOYSA-N 2 1 399.535 3.503 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1cccc(C(F)(F)F)c1 ZINC000544556013 929284267 /nfs/dbraw/zinc/28/42/67/929284267.db2.gz WFKWQZWZCNXKCQ-APWZRJJASA-N 2 1 399.501 3.936 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000753534848 929395098 /nfs/dbraw/zinc/39/50/98/929395098.db2.gz GDAUUELMIDRGMA-FXAWDEMLSA-N 2 1 399.539 3.843 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc2c1CC[NH+](CC(C)(C)O)C2 ZINC000753585448 929430036 /nfs/dbraw/zinc/43/00/36/929430036.db2.gz GZVANCSYZQKEGF-DVECYGJZSA-N 2 1 393.575 3.748 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000753585448 929430039 /nfs/dbraw/zinc/43/00/39/929430039.db2.gz GZVANCSYZQKEGF-DVECYGJZSA-N 2 1 393.575 3.748 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000753585448 929430045 /nfs/dbraw/zinc/43/00/45/929430045.db2.gz GZVANCSYZQKEGF-DVECYGJZSA-N 2 1 393.575 3.748 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000544756738 929541230 /nfs/dbraw/zinc/54/12/30/929541230.db2.gz JVFBXKDKRWNNDT-UHFFFAOYSA-N 2 1 379.492 3.793 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000469519643 929961105 /nfs/dbraw/zinc/96/11/05/929961105.db2.gz WPQFAVLRSSNKPT-UXHICEINSA-N 2 1 380.536 3.907 20 0 GHADMP Cc1ccc(-n2ccnc2)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000469519642 929961211 /nfs/dbraw/zinc/96/12/11/929961211.db2.gz WPQFAVLRSSNKPT-PMACEKPBSA-N 2 1 380.536 3.907 20 0 GHADMP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc(Br)c1OC(F)F ZINC000469852449 930207056 /nfs/dbraw/zinc/20/70/56/930207056.db2.gz PNKSUSULFAJQMW-ZDUSSCGKSA-N 2 1 395.288 3.864 20 0 GHADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc(Br)c1OC(F)F ZINC000469852449 930207061 /nfs/dbraw/zinc/20/70/61/930207061.db2.gz PNKSUSULFAJQMW-ZDUSSCGKSA-N 2 1 395.288 3.864 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000469874164 930227004 /nfs/dbraw/zinc/22/70/04/930227004.db2.gz VGNRVHAIRLYYQG-MBSDFSHPSA-N 2 1 395.522 3.573 20 0 GHADMP CCCOc1c(Br)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000469991689 930299876 /nfs/dbraw/zinc/29/98/76/930299876.db2.gz MWZRIJNSSBWZDF-UHFFFAOYSA-N 2 1 385.346 3.820 20 0 GHADMP CCCOc1c(Br)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000469991689 930299885 /nfs/dbraw/zinc/29/98/85/930299885.db2.gz MWZRIJNSSBWZDF-UHFFFAOYSA-N 2 1 385.346 3.820 20 0 GHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1Cl ZINC000470990615 931081803 /nfs/dbraw/zinc/08/18/03/931081803.db2.gz AXGCFHBSICEDKM-KDURUIRLSA-N 2 1 383.923 3.732 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1Cl ZINC000470990615 931081810 /nfs/dbraw/zinc/08/18/10/931081810.db2.gz AXGCFHBSICEDKM-KDURUIRLSA-N 2 1 383.923 3.732 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1Cl ZINC000470990615 931081816 /nfs/dbraw/zinc/08/18/16/931081816.db2.gz AXGCFHBSICEDKM-KDURUIRLSA-N 2 1 383.923 3.732 20 0 GHADMP CC1(C)C[NH+](CCCCCCCCC[N@H+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000782580580 931276212 /nfs/dbraw/zinc/27/62/12/931276212.db2.gz YNDFOZBLEXMDDU-OYRHEFFESA-N 2 1 382.633 3.903 20 0 GHADMP CC1(C)C[N@H+](CCCCCCCCC[NH+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000782580580 931276217 /nfs/dbraw/zinc/27/62/17/931276217.db2.gz YNDFOZBLEXMDDU-OYRHEFFESA-N 2 1 382.633 3.903 20 0 GHADMP CC1(C)C[N@@H+](CCCCCCCCC[NH+]2CC[C@H](O)C(C)(C)C2)CC[C@H]1O ZINC000782580580 931276220 /nfs/dbraw/zinc/27/62/20/931276220.db2.gz YNDFOZBLEXMDDU-OYRHEFFESA-N 2 1 382.633 3.903 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)cc1 ZINC000924308097 931317485 /nfs/dbraw/zinc/31/74/85/931317485.db2.gz BCVYPXLOJCZMKN-UHFFFAOYSA-N 2 1 398.551 3.767 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc4c(cccc4C)s3)CC2)CC1 ZINC000557465814 931450187 /nfs/dbraw/zinc/45/01/87/931450187.db2.gz QWCBPCOZWLFCCF-UHFFFAOYSA-N 2 1 386.565 3.740 20 0 GHADMP C[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccccc2Cl)c2ccco2)CC1 ZINC000924663569 931467065 /nfs/dbraw/zinc/46/70/65/931467065.db2.gz WLRLXQJOHYGJNX-FQEVSTJZSA-N 2 1 375.944 3.834 20 0 GHADMP CCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OC ZINC000924693424 931478057 /nfs/dbraw/zinc/47/80/57/931478057.db2.gz ZDPXOBKRQVYILQ-VOBGVNJCSA-N 2 1 376.541 3.776 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)CC2 ZINC000557566235 931545081 /nfs/dbraw/zinc/54/50/81/931545081.db2.gz QIEOMRMNPVWQNU-NRFANRHFSA-N 2 1 394.563 3.835 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)CC2 ZINC000557566235 931545085 /nfs/dbraw/zinc/54/50/85/931545085.db2.gz QIEOMRMNPVWQNU-NRFANRHFSA-N 2 1 394.563 3.835 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924965241 931597297 /nfs/dbraw/zinc/59/72/97/931597297.db2.gz HYPJZCPPNPXVPN-QHCPKHFHSA-N 2 1 378.520 3.534 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000557962868 931776887 /nfs/dbraw/zinc/77/68/87/931776887.db2.gz QGWGCPLSENKWOM-AJSBUHFISA-N 2 1 383.580 3.586 20 0 GHADMP CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ncccc1Cl ZINC000925441518 931784618 /nfs/dbraw/zinc/78/46/18/931784618.db2.gz RBELTLOLQKGLFU-LJQANCHMSA-N 2 1 388.943 3.657 20 0 GHADMP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H](C)C1 ZINC000558012680 931800512 /nfs/dbraw/zinc/80/05/12/931800512.db2.gz RQSVVLCRFGFHSO-XHYAQGIWSA-N 2 1 398.595 3.682 20 0 GHADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H](C)C1 ZINC000558012680 931800516 /nfs/dbraw/zinc/80/05/16/931800516.db2.gz RQSVVLCRFGFHSO-XHYAQGIWSA-N 2 1 398.595 3.682 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2C[C@H](O)C[NH+]2CCCC2)c1 ZINC000784318856 931853903 /nfs/dbraw/zinc/85/39/03/931853903.db2.gz ANPRFRMSNCNCBX-GMKZXUHWSA-N 2 1 380.532 3.683 20 0 GHADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2C[C@H](O)C[NH+]2CCCC2)c1 ZINC000784318856 931853910 /nfs/dbraw/zinc/85/39/10/931853910.db2.gz ANPRFRMSNCNCBX-GMKZXUHWSA-N 2 1 380.532 3.683 20 0 GHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000925780796 931901190 /nfs/dbraw/zinc/90/11/90/931901190.db2.gz GWZZZZKLMQMTDF-VNQPRFMTSA-N 2 1 389.284 3.504 20 0 GHADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000925780793 931901535 /nfs/dbraw/zinc/90/15/35/931901535.db2.gz GWZZZZKLMQMTDF-BMFZPTHFSA-N 2 1 389.284 3.504 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000925952449 931973199 /nfs/dbraw/zinc/97/31/99/931973199.db2.gz IJKZKQAFILRECK-JOCHJYFZSA-N 2 1 381.524 3.805 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1)CC(C)C ZINC000558422232 931995409 /nfs/dbraw/zinc/99/54/09/931995409.db2.gz AILRLCMTSYDHSC-UHFFFAOYSA-N 2 1 378.557 3.989 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)no1 ZINC000926124673 932056821 /nfs/dbraw/zinc/05/68/21/932056821.db2.gz IRJAVMXVBUSJES-UTKZUKDTSA-N 2 1 377.488 3.759 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(-c2ccccc2)no1 ZINC000926124673 932056823 /nfs/dbraw/zinc/05/68/23/932056823.db2.gz IRJAVMXVBUSJES-UTKZUKDTSA-N 2 1 377.488 3.759 20 0 GHADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926128028 932057724 /nfs/dbraw/zinc/05/77/24/932057724.db2.gz YAMLEMCJORYEBN-NQIIRXRSSA-N 2 1 385.939 3.859 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926128028 932057729 /nfs/dbraw/zinc/05/77/29/932057729.db2.gz YAMLEMCJORYEBN-NQIIRXRSSA-N 2 1 385.939 3.859 20 0 GHADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC4CCC(C)([NH+]5CCCC5)CC4)cc3c2C1 ZINC000928004256 932760440 /nfs/dbraw/zinc/76/04/40/932760440.db2.gz DBNYLYQLGNRRAV-UHFFFAOYSA-N 2 1 394.563 3.683 20 0 GHADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NC4CCC(C)([NH+]5CCCC5)CC4)cc3c2C1 ZINC000928004256 932760443 /nfs/dbraw/zinc/76/04/43/932760443.db2.gz DBNYLYQLGNRRAV-UHFFFAOYSA-N 2 1 394.563 3.683 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000798935684 932822805 /nfs/dbraw/zinc/82/28/05/932822805.db2.gz RPYAHRPUMIGKPI-SFHLNBCPSA-N 2 1 394.506 3.855 20 0 GHADMP COc1cccc([C@@H](C)[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000559773865 932846456 /nfs/dbraw/zinc/84/64/56/932846456.db2.gz KFLAVOBLHCYRLN-NFBKMPQASA-N 2 1 379.548 3.648 20 0 GHADMP COc1cccc([C@@H](C)[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000559773865 932846462 /nfs/dbraw/zinc/84/64/62/932846462.db2.gz KFLAVOBLHCYRLN-NFBKMPQASA-N 2 1 379.548 3.648 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c2cccs2)CCO1 ZINC000559787073 932856804 /nfs/dbraw/zinc/85/68/04/932856804.db2.gz MJSLGWAVVNZXCY-RYFAJOAYSA-N 2 1 399.604 3.935 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c2cccs2)CCO1 ZINC000559787073 932856806 /nfs/dbraw/zinc/85/68/06/932856806.db2.gz MJSLGWAVVNZXCY-RYFAJOAYSA-N 2 1 399.604 3.935 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000559787862 932858030 /nfs/dbraw/zinc/85/80/30/932858030.db2.gz QGZXETLECFXZOL-GGAORHGYSA-N 2 1 377.532 3.781 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000559787862 932858037 /nfs/dbraw/zinc/85/80/37/932858037.db2.gz QGZXETLECFXZOL-GGAORHGYSA-N 2 1 377.532 3.781 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)CC1 ZINC000799177575 932898916 /nfs/dbraw/zinc/89/89/16/932898916.db2.gz VSCZXDPDKRFOMY-OAHLLOKOSA-N 2 1 387.351 3.541 20 0 GHADMP CCN(C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000799178483 932900230 /nfs/dbraw/zinc/90/02/30/932900230.db2.gz WKCSYCMIWSOBKO-GOSISDBHSA-N 2 1 375.532 3.543 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)CC1 ZINC000799178217 932900805 /nfs/dbraw/zinc/90/08/05/932900805.db2.gz PWCAWMKFQHAXDC-GOSISDBHSA-N 2 1 396.362 3.907 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C2)CC1 ZINC000799178217 932900814 /nfs/dbraw/zinc/90/08/14/932900814.db2.gz PWCAWMKFQHAXDC-GOSISDBHSA-N 2 1 396.362 3.907 20 0 GHADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000799341222 932958415 /nfs/dbraw/zinc/95/84/15/932958415.db2.gz RSUOWMVVLUAGCG-BPQIPLTHSA-N 2 1 378.442 3.819 20 0 GHADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000799341222 932958418 /nfs/dbraw/zinc/95/84/18/932958418.db2.gz RSUOWMVVLUAGCG-BPQIPLTHSA-N 2 1 378.442 3.819 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001115896862 933235149 /nfs/dbraw/zinc/23/51/49/933235149.db2.gz MXGJMHNHDAKKMW-HXUWFJFHSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001115896862 933235159 /nfs/dbraw/zinc/23/51/59/933235159.db2.gz MXGJMHNHDAKKMW-HXUWFJFHSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115896862 933235165 /nfs/dbraw/zinc/23/51/65/933235165.db2.gz MXGJMHNHDAKKMW-HXUWFJFHSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115896862 933235169 /nfs/dbraw/zinc/23/51/69/933235169.db2.gz MXGJMHNHDAKKMW-HXUWFJFHSA-N 2 1 379.548 3.809 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000560514369 933303579 /nfs/dbraw/zinc/30/35/79/933303579.db2.gz YXAUDAPEGGRHLE-GOSISDBHSA-N 2 1 393.531 3.691 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000929486686 933454884 /nfs/dbraw/zinc/45/48/84/933454884.db2.gz WRQSEQXCLCGBBJ-JWQCQUIFSA-N 2 1 396.575 3.705 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000560908012 933679015 /nfs/dbraw/zinc/67/90/15/933679015.db2.gz GBNVFDMVYWUICG-UHFFFAOYSA-N 2 1 391.559 3.673 20 0 GHADMP CC(C)[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000561014124 933782827 /nfs/dbraw/zinc/78/28/27/933782827.db2.gz KHRFDDJHOHKUCO-FQEVSTJZSA-N 2 1 399.501 3.935 20 0 GHADMP C[NH2+][C@H](C)CCNC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC001118015498 934078715 /nfs/dbraw/zinc/07/87/15/934078715.db2.gz BLCJODCFJZJDLU-NQIIRXRSSA-N 2 1 390.572 3.586 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001118263467 934121986 /nfs/dbraw/zinc/12/19/86/934121986.db2.gz GDLFDJHWOHQRGY-UHFFFAOYSA-N 2 1 384.549 3.523 20 0 GHADMP Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)cc1 ZINC001118263467 934121991 /nfs/dbraw/zinc/12/19/91/934121991.db2.gz GDLFDJHWOHQRGY-UHFFFAOYSA-N 2 1 384.549 3.523 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c(C)c1 ZINC000931287452 934483601 /nfs/dbraw/zinc/48/36/01/934483601.db2.gz XZBYYCHARACPAF-UHFFFAOYSA-N 2 1 387.568 3.517 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)c(C)c1 ZINC000931287452 934483604 /nfs/dbraw/zinc/48/36/04/934483604.db2.gz XZBYYCHARACPAF-UHFFFAOYSA-N 2 1 387.568 3.517 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932070128 934815565 /nfs/dbraw/zinc/81/55/65/934815565.db2.gz HSQNVTRGUKTZDS-RTBURBONSA-N 2 1 380.458 3.624 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001124390953 935382769 /nfs/dbraw/zinc/38/27/69/935382769.db2.gz LMEZFOZKMWOKJJ-DHIUTWEWSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@@H]1CN(C(=O)[C@H](F)CN(Cc2ccccc2)Cc2ccccc2)[C@@H](C)C[N@H+]1C ZINC001137611059 935625974 /nfs/dbraw/zinc/62/59/74/935625974.db2.gz NQAZZXYKVNGYIV-ZRCGQRJVSA-N 2 1 397.538 3.578 20 0 GHADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001137746746 935766366 /nfs/dbraw/zinc/76/63/66/935766366.db2.gz RZCGUOZGQMBSOD-GOSISDBHSA-N 2 1 376.932 3.852 20 0 GHADMP c1ccc([C@H]2CC[NH+](Cc3cncc(C[N@H+]4CC[C@H](c5ccccn5)C4)c3)C2)nc1 ZINC000829448755 935810566 /nfs/dbraw/zinc/81/05/66/935810566.db2.gz DENLNXJRPMCMLR-GOTSBHOMSA-N 2 1 399.542 3.851 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC001137945751 935884951 /nfs/dbraw/zinc/88/49/51/935884951.db2.gz XVTVYBLOWCHIME-LJCCNALRSA-N 2 1 395.950 3.709 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001138010972 935926245 /nfs/dbraw/zinc/92/62/45/935926245.db2.gz RWYUYKAJHSQBPM-UHFFFAOYSA-N 2 1 388.515 3.888 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C1 ZINC001220704432 1032072714 /nfs/dbraw/zinc/07/27/14/1032072714.db2.gz MTEOSMHOIITSPU-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001220704432 1032072733 /nfs/dbraw/zinc/07/27/33/1032072733.db2.gz MTEOSMHOIITSPU-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001220704432 1032072747 /nfs/dbraw/zinc/07/27/47/1032072747.db2.gz MTEOSMHOIITSPU-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCCC[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704155 1032073821 /nfs/dbraw/zinc/07/38/21/1032073821.db2.gz IKRXXZYCBJGUPL-RBBKRZOGSA-N 2 1 386.584 3.523 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NCCCC[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704155 1032073788 /nfs/dbraw/zinc/07/37/88/1032073788.db2.gz IKRXXZYCBJGUPL-RBBKRZOGSA-N 2 1 386.584 3.523 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCCCC[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC001220704155 1032073800 /nfs/dbraw/zinc/07/38/00/1032073800.db2.gz IKRXXZYCBJGUPL-RBBKRZOGSA-N 2 1 386.584 3.523 20 0 GHADMP CN(C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001625850239 1014227679 /nfs/dbraw/zinc/22/76/79/1014227679.db2.gz AIJWBZOHNJTXRC-LJQANCHMSA-N 2 1 390.597 3.823 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1OC ZINC000532220837 1014562103 /nfs/dbraw/zinc/56/21/03/1014562103.db2.gz NJAAEVNSUIMICZ-RXVVDRJESA-N 2 1 398.547 3.755 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1OC ZINC000532220837 1014562115 /nfs/dbraw/zinc/56/21/15/1014562115.db2.gz NJAAEVNSUIMICZ-RXVVDRJESA-N 2 1 398.547 3.755 20 0 GHADMP CC1(C)CC[N@@H+](CCNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC001626098704 1014882071 /nfs/dbraw/zinc/88/20/71/1014882071.db2.gz QNAMCUVGMIULFN-UHFFFAOYSA-N 2 1 390.597 3.728 20 0 GHADMP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC001626111359 1014920909 /nfs/dbraw/zinc/92/09/09/1014920909.db2.gz JOILPAUGZWHELN-HRAATJIYSA-N 2 1 385.939 3.506 20 0 GHADMP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC001626111359 1014920913 /nfs/dbraw/zinc/92/09/13/1014920913.db2.gz JOILPAUGZWHELN-HRAATJIYSA-N 2 1 385.939 3.506 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)c1 ZINC000545247309 1015701713 /nfs/dbraw/zinc/70/17/13/1015701713.db2.gz XXAJNMHODJPFFA-GOSISDBHSA-N 2 1 393.531 3.691 20 0 GHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468554194 1015801132 /nfs/dbraw/zinc/80/11/32/1015801132.db2.gz NQAPUZLXDNHJTM-UTKZUKDTSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468554194 1015801140 /nfs/dbraw/zinc/80/11/40/1015801140.db2.gz NQAPUZLXDNHJTM-UTKZUKDTSA-N 2 1 392.465 3.863 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)[C@H](C)C1 ZINC000468797528 1016044541 /nfs/dbraw/zinc/04/45/41/1016044541.db2.gz CERLUBTZYHJZJT-QMMLZNLJSA-N 2 1 394.003 3.812 20 0 GHADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468863874 1016132318 /nfs/dbraw/zinc/13/23/18/1016132318.db2.gz HIKZDGDRQVMQNR-INIZCTEOSA-N 2 1 391.466 3.589 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468863874 1016132325 /nfs/dbraw/zinc/13/23/25/1016132325.db2.gz HIKZDGDRQVMQNR-INIZCTEOSA-N 2 1 391.466 3.589 20 0 GHADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469539239 1016586406 /nfs/dbraw/zinc/58/64/06/1016586406.db2.gz DNTCGJBKFAESDM-UHFFFAOYSA-N 2 1 385.418 3.827 20 0 GHADMP C[N@@H+](Cc1cc(I)ccc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236223488 1041629529 /nfs/dbraw/zinc/62/95/29/1041629529.db2.gz NXHPCYVDHICCQW-JOCQHMNTSA-N 2 1 378.685 3.646 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000470274577 1016758234 /nfs/dbraw/zinc/75/82/34/1016758234.db2.gz KYLMTZJBYKRJID-FCEUIQTBSA-N 2 1 388.600 3.515 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000470274577 1016758249 /nfs/dbraw/zinc/75/82/49/1016758249.db2.gz KYLMTZJBYKRJID-FCEUIQTBSA-N 2 1 388.600 3.515 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000470274577 1016758259 /nfs/dbraw/zinc/75/82/59/1016758259.db2.gz KYLMTZJBYKRJID-FCEUIQTBSA-N 2 1 388.600 3.515 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC001220877343 1032166676 /nfs/dbraw/zinc/16/66/76/1032166676.db2.gz SAXUFORYDUOZGZ-KNQAVFIVSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC001220877343 1032166684 /nfs/dbraw/zinc/16/66/84/1032166684.db2.gz SAXUFORYDUOZGZ-KNQAVFIVSA-N 2 1 386.584 3.685 20 0 GHADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC001220877343 1032166693 /nfs/dbraw/zinc/16/66/93/1032166693.db2.gz SAXUFORYDUOZGZ-KNQAVFIVSA-N 2 1 386.584 3.685 20 0 GHADMP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001221010941 1032234952 /nfs/dbraw/zinc/23/49/52/1032234952.db2.gz UZOXYIWLMJNOQQ-URXFXBBRSA-N 2 1 397.538 3.503 20 0 GHADMP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001221010940 1032235402 /nfs/dbraw/zinc/23/54/02/1032235402.db2.gz UZOXYIWLMJNOQQ-QPPBQGQZSA-N 2 1 397.538 3.503 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC001221074533 1032268065 /nfs/dbraw/zinc/26/80/65/1032268065.db2.gz PSMGYMAKEACZMP-VQIMIIECSA-N 2 1 394.991 3.895 20 0 GHADMP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001221407669 1032402102 /nfs/dbraw/zinc/40/21/02/1032402102.db2.gz DAFUZDNOYKPLJF-RTWAWAEBSA-N 2 1 389.971 3.761 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC001227458445 1032427327 /nfs/dbraw/zinc/42/73/27/1032427327.db2.gz YVLMOJFFAMIWSQ-QUCCMNQESA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC001227458445 1032427329 /nfs/dbraw/zinc/42/73/29/1032427329.db2.gz YVLMOJFFAMIWSQ-QUCCMNQESA-N 2 1 378.605 3.593 20 0 GHADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC001227458445 1032427337 /nfs/dbraw/zinc/42/73/37/1032427337.db2.gz YVLMOJFFAMIWSQ-QUCCMNQESA-N 2 1 378.605 3.593 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC001221621221 1032485165 /nfs/dbraw/zinc/48/51/65/1032485165.db2.gz HUJJIAZFIPIPCL-JOCHJYFZSA-N 2 1 390.616 3.595 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3nncc4ccccc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001155358085 1032517342 /nfs/dbraw/zinc/51/73/42/1032517342.db2.gz OGGGUVUAGRBHGJ-OAQYLSRUSA-N 2 1 387.531 3.544 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC001221913920 1032571853 /nfs/dbraw/zinc/57/18/53/1032571853.db2.gz WKFLLLLUHQFGMM-IBGZPJMESA-N 2 1 380.621 3.697 20 0 GHADMP c1cc2c(s1)[C@@H](Nc1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)C[NH2+]C2 ZINC001155559683 1032580499 /nfs/dbraw/zinc/58/04/99/1032580499.db2.gz PQMAETXFBZXNCO-FQEVSTJZSA-N 2 1 376.529 3.958 20 0 GHADMP c1ccc(C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C2CCSCC2)cc1 ZINC001236268243 1032592167 /nfs/dbraw/zinc/59/21/67/1032592167.db2.gz CDMNCJCUOGGGEM-UHFFFAOYSA-N 2 1 381.589 3.994 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1 ZINC001204177102 1032629068 /nfs/dbraw/zinc/62/90/68/1032629068.db2.gz WOKWKFLIFGZDLD-QHCPKHFHSA-N 2 1 379.548 3.900 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000558127566 1017121650 /nfs/dbraw/zinc/12/16/50/1017121650.db2.gz SKOIBIGTSFJHAF-GOSISDBHSA-N 2 1 385.518 3.984 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1C[NH+]1CCCCC1 ZINC000925784824 1017146906 /nfs/dbraw/zinc/14/69/06/1017146906.db2.gz SNZLYKYUPZLPTR-LPHOPBHVSA-N 3 1 381.511 3.577 20 0 GHADMP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000558709358 1017270581 /nfs/dbraw/zinc/27/05/81/1017270581.db2.gz AOALETYAJVCZRL-DENIHFKCSA-N 2 1 386.584 3.585 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001204272169 1032715076 /nfs/dbraw/zinc/71/50/76/1032715076.db2.gz YFBNMDMGLZMGFL-ZCYQVOJMSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001204272169 1032715097 /nfs/dbraw/zinc/71/50/97/1032715097.db2.gz YFBNMDMGLZMGFL-ZCYQVOJMSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001204272169 1032715109 /nfs/dbraw/zinc/71/51/09/1032715109.db2.gz YFBNMDMGLZMGFL-ZCYQVOJMSA-N 2 1 393.575 3.723 20 0 GHADMP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000563378046 1018909133 /nfs/dbraw/zinc/90/91/33/1018909133.db2.gz SDKABDPGKIYPRP-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000563378046 1018909134 /nfs/dbraw/zinc/90/91/34/1018909134.db2.gz SDKABDPGKIYPRP-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000563618448 1018936072 /nfs/dbraw/zinc/93/60/72/1018936072.db2.gz USAXNARAJVQJLU-PMACEKPBSA-N 2 1 388.577 3.606 20 0 GHADMP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000563618448 1018936074 /nfs/dbraw/zinc/93/60/74/1018936074.db2.gz USAXNARAJVQJLU-PMACEKPBSA-N 2 1 388.577 3.606 20 0 GHADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000571825502 1019714330 /nfs/dbraw/zinc/71/43/30/1019714330.db2.gz RPOSXROKBSBMOG-YPIGPJMWSA-N 2 1 398.591 3.708 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001204429381 1032861402 /nfs/dbraw/zinc/86/14/02/1032861402.db2.gz DPVSCPTWFLTTOR-QUCCMNQESA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001204429381 1032861409 /nfs/dbraw/zinc/86/14/09/1032861409.db2.gz DPVSCPTWFLTTOR-QUCCMNQESA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001204429381 1032861423 /nfs/dbraw/zinc/86/14/23/1032861423.db2.gz DPVSCPTWFLTTOR-QUCCMNQESA-N 2 1 398.469 3.766 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001204429381 1032861437 /nfs/dbraw/zinc/86/14/37/1032861437.db2.gz DPVSCPTWFLTTOR-QUCCMNQESA-N 2 1 398.469 3.766 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(CCC[NH3+])C(C)C)c2c1C ZINC001156124656 1032889071 /nfs/dbraw/zinc/88/90/71/1032889071.db2.gz ZFHCZLDFZGIWRW-UHFFFAOYSA-N 2 1 375.586 3.858 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)C1 ZINC000779057478 1020342581 /nfs/dbraw/zinc/34/25/81/1020342581.db2.gz JHQSBGHIKMAKLT-NRSPTQNISA-N 2 1 387.568 3.711 20 0 GHADMP CN(c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3)C1CC[NH2+]CC1 ZINC001156180789 1032914680 /nfs/dbraw/zinc/91/46/80/1032914680.db2.gz MDPVILPEKRDONC-UHFFFAOYSA-N 2 1 399.608 3.744 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204489426 1032923263 /nfs/dbraw/zinc/92/32/63/1032923263.db2.gz KFZKXRPMGQLFGI-FQEVSTJZSA-N 2 1 398.572 3.939 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204491652 1032925879 /nfs/dbraw/zinc/92/58/79/1032925879.db2.gz IVWWJKABBJTFQY-UHFFFAOYSA-N 2 1 377.532 3.893 20 0 GHADMP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000633154986 1020922902 /nfs/dbraw/zinc/92/29/02/1020922902.db2.gz FVLFYKVBCYNYSS-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP [NH3+]C1(CC(=O)N2CCC[C@H]2c2ccsc2)CC[NH+](Cc2ccccc2)CC1 ZINC000637921891 1021032198 /nfs/dbraw/zinc/03/21/98/1021032198.db2.gz IZNXDQOJMSQYFQ-FQEVSTJZSA-N 2 1 383.561 3.795 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c2ccccc2)[nH]1 ZINC000639236847 1021067086 /nfs/dbraw/zinc/06/70/86/1021067086.db2.gz YDYUPSLDYQRGMD-PUHATCMVSA-N 2 1 387.531 3.894 20 0 GHADMP c1nnc([C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c2ccccc2)[nH]1 ZINC000639236847 1021067095 /nfs/dbraw/zinc/06/70/95/1021067095.db2.gz YDYUPSLDYQRGMD-PUHATCMVSA-N 2 1 387.531 3.894 20 0 GHADMP COc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000642197583 1021087172 /nfs/dbraw/zinc/08/71/72/1021087172.db2.gz IIEVQGPFTLXWKY-UHFFFAOYSA-N 2 1 389.337 3.996 20 0 GHADMP COc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1Br ZINC000642197583 1021087179 /nfs/dbraw/zinc/08/71/79/1021087179.db2.gz IIEVQGPFTLXWKY-UHFFFAOYSA-N 2 1 389.337 3.996 20 0 GHADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000647814486 1021150505 /nfs/dbraw/zinc/15/05/05/1021150505.db2.gz PZYDMJPXMDAERQ-QFIPXVFZSA-N 2 1 383.561 3.560 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C3CC[NH+](CC(C)C)CC3)C2)s1 ZINC001140260679 1021277486 /nfs/dbraw/zinc/27/74/86/1021277486.db2.gz AURODAAWWLDXSD-LJQANCHMSA-N 2 1 391.625 3.705 20 0 GHADMP C[NH+](C)C1(C)CCC(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001228527394 1032971758 /nfs/dbraw/zinc/97/17/58/1032971758.db2.gz SYYBAOWJJGPBFP-UHFFFAOYSA-N 2 1 386.584 3.603 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](Nc4ccc(C[NH+]5CCCC5)cn4)[C@@H]3C2)cc1 ZINC001156317728 1032980524 /nfs/dbraw/zinc/98/05/24/1032980524.db2.gz NDTAITLZLTZVQA-YTFSRNRJSA-N 2 1 376.548 4.000 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000834822235 1021515954 /nfs/dbraw/zinc/51/59/54/1021515954.db2.gz BRIRUMCXYFJQPN-KLHBGFEVSA-N 2 1 397.563 3.637 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001228557951 1032986556 /nfs/dbraw/zinc/98/65/56/1032986556.db2.gz TUUPAMJKJTWBSL-LIRRHRJNSA-N 2 1 398.954 3.501 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC001228557951 1032986559 /nfs/dbraw/zinc/98/65/59/1032986559.db2.gz TUUPAMJKJTWBSL-LIRRHRJNSA-N 2 1 398.954 3.501 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140383335 1021536501 /nfs/dbraw/zinc/53/65/01/1021536501.db2.gz JXTHRDRMLMTTER-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc4c(c3)CCCO4)CC2)CC1 ZINC001204601514 1032990222 /nfs/dbraw/zinc/99/02/22/1032990222.db2.gz GJIOFOHTPDUKQH-UHFFFAOYSA-N 2 1 385.596 3.640 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2c(c1)CCCO2 ZINC001204601514 1032990227 /nfs/dbraw/zinc/99/02/27/1032990227.db2.gz GJIOFOHTPDUKQH-UHFFFAOYSA-N 3 1 385.596 3.640 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2c(c1)CCCO2 ZINC001204601514 1032990232 /nfs/dbraw/zinc/99/02/32/1032990232.db2.gz GJIOFOHTPDUKQH-UHFFFAOYSA-N 3 1 385.596 3.640 20 0 GHADMP CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903906667 1021651681 /nfs/dbraw/zinc/65/16/81/1021651681.db2.gz XSUZPWNHEJYMHC-MQVJKMGUSA-N 2 1 383.458 3.885 20 0 GHADMP COc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001140479624 1021774569 /nfs/dbraw/zinc/77/45/69/1021774569.db2.gz LBEMJEDKXDKKIG-TZYHBYERSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001140479624 1021774589 /nfs/dbraw/zinc/77/45/89/1021774589.db2.gz LBEMJEDKXDKKIG-TZYHBYERSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001140479624 1021774607 /nfs/dbraw/zinc/77/46/07/1021774607.db2.gz LBEMJEDKXDKKIG-TZYHBYERSA-N 2 1 383.511 3.962 20 0 GHADMP COc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001140479624 1021774627 /nfs/dbraw/zinc/77/46/27/1021774627.db2.gz LBEMJEDKXDKKIG-TZYHBYERSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000678131114 1021906695 /nfs/dbraw/zinc/90/66/95/1021906695.db2.gz HYQDZDRZNSPSJR-OAQYLSRUSA-N 2 1 384.520 3.981 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCN(C[C@@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721365 1022043008 /nfs/dbraw/zinc/04/30/08/1022043008.db2.gz LMZSKCZXRSAFNJ-LFBFJMOVSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CC[NH+](C[C@@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721365 1022043023 /nfs/dbraw/zinc/04/30/23/1022043023.db2.gz LMZSKCZXRSAFNJ-LFBFJMOVSA-N 2 1 397.607 3.520 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC4CC[NH+](C[C@@H]5CCCO5)CC4)[C@H]3C2)cc1 ZINC000679721365 1022043035 /nfs/dbraw/zinc/04/30/35/1022043035.db2.gz LMZSKCZXRSAFNJ-LFBFJMOVSA-N 2 1 397.607 3.520 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3csc4ccccc34)CC[C@@H]21 ZINC001140636503 1022124084 /nfs/dbraw/zinc/12/40/84/1022124084.db2.gz UQGIWCPPNXJEHZ-LMNJBCLMSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3csc4ccccc34)CC[C@@H]21 ZINC001140636503 1022124089 /nfs/dbraw/zinc/12/40/89/1022124089.db2.gz UQGIWCPPNXJEHZ-LMNJBCLMSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3csc4ccccc34)CC[C@@H]21 ZINC001140636503 1022124099 /nfs/dbraw/zinc/12/40/99/1022124099.db2.gz UQGIWCPPNXJEHZ-LMNJBCLMSA-N 2 1 395.576 3.866 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3csc4ccccc34)CC[C@@H]21 ZINC001140636503 1022124106 /nfs/dbraw/zinc/12/41/06/1022124106.db2.gz UQGIWCPPNXJEHZ-LMNJBCLMSA-N 2 1 395.576 3.866 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)Cc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC001204691885 1033032854 /nfs/dbraw/zinc/03/28/54/1033032854.db2.gz ONQTXOYEXMXWEL-UHFFFAOYSA-N 2 1 392.316 3.630 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC001140654660 1022172619 /nfs/dbraw/zinc/17/26/19/1022172619.db2.gz UTWDUWCZCIZXFE-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140654660 1022172631 /nfs/dbraw/zinc/17/26/31/1022172631.db2.gz UTWDUWCZCIZXFE-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001140654660 1022172638 /nfs/dbraw/zinc/17/26/38/1022172638.db2.gz UTWDUWCZCIZXFE-XJTUCQONSA-N 2 1 394.559 3.797 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc(C)c1O ZINC001140655548 1022182967 /nfs/dbraw/zinc/18/29/67/1022182967.db2.gz PPLTXDWPSRLFHS-HXUWFJFHSA-N 2 1 384.520 3.858 20 0 GHADMP Cc1ccc(CN2CCOC3(CC[NH+](Cc4ccn5ccnc5c4)CC3)C2)cc1 ZINC001141043761 1023373370 /nfs/dbraw/zinc/37/33/70/1023373370.db2.gz KCALKADHBRIWLL-UHFFFAOYSA-N 3 1 390.531 3.510 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)c3ccccc13)C2 ZINC001138058292 1023964233 /nfs/dbraw/zinc/96/42/33/1023964233.db2.gz OXCLEQRBPPVASV-YKSBVNFPSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(O)c3ccccc13)C2 ZINC001138058292 1023964235 /nfs/dbraw/zinc/96/42/35/1023964235.db2.gz OXCLEQRBPPVASV-YKSBVNFPSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(O)c3ccccc13)C2 ZINC001138058292 1023964239 /nfs/dbraw/zinc/96/42/39/1023964239.db2.gz OXCLEQRBPPVASV-YKSBVNFPSA-N 2 1 380.532 3.726 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141181705 1024024631 /nfs/dbraw/zinc/02/46/31/1024024631.db2.gz PIQBZIUXCXCYOS-DHLKQENFSA-N 2 1 398.591 3.971 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141181705 1024024645 /nfs/dbraw/zinc/02/46/45/1024024645.db2.gz PIQBZIUXCXCYOS-DHLKQENFSA-N 2 1 398.591 3.971 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141181705 1024024664 /nfs/dbraw/zinc/02/46/64/1024024664.db2.gz PIQBZIUXCXCYOS-DHLKQENFSA-N 2 1 398.591 3.971 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141181705 1024024682 /nfs/dbraw/zinc/02/46/82/1024024682.db2.gz PIQBZIUXCXCYOS-DHLKQENFSA-N 2 1 398.591 3.971 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3c(c1)CCC(C)(C)O3)C2 ZINC001141181705 1024024704 /nfs/dbraw/zinc/02/47/04/1024024704.db2.gz PIQBZIUXCXCYOS-DHLKQENFSA-N 2 1 398.591 3.971 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]21 ZINC001138303328 1024598173 /nfs/dbraw/zinc/59/81/73/1024598173.db2.gz SYZHZGFIABTQGM-AVCGJXAMSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4nccnc34)C[C@@H]21 ZINC001138303328 1024598187 /nfs/dbraw/zinc/59/81/87/1024598187.db2.gz SYZHZGFIABTQGM-AVCGJXAMSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4nccnc34)C[C@@H]21 ZINC001138303328 1024598195 /nfs/dbraw/zinc/59/81/95/1024598195.db2.gz SYZHZGFIABTQGM-AVCGJXAMSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4nccnc34)C[C@@H]21 ZINC001138303328 1024598208 /nfs/dbraw/zinc/59/82/08/1024598208.db2.gz SYZHZGFIABTQGM-AVCGJXAMSA-N 2 1 387.531 3.757 20 0 GHADMP CCc1cccc2c(C[NH+]3CCC([N@@H+]4CCC[C@H](C(=O)OC)C4)CC3)c[nH]c21 ZINC001138363517 1024729986 /nfs/dbraw/zinc/72/99/86/1024729986.db2.gz KXNFSNCVNDUEBY-SFHVURJKSA-N 2 1 383.536 3.580 20 0 GHADMP CCc1cccc2c(C[NH+]3CCC([N@H+]4CCC[C@H](C(=O)OC)C4)CC3)c[nH]c21 ZINC001138363517 1024729997 /nfs/dbraw/zinc/72/99/97/1024729997.db2.gz KXNFSNCVNDUEBY-SFHVURJKSA-N 2 1 383.536 3.580 20 0 GHADMP COc1cccc(F)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001138384242 1024754659 /nfs/dbraw/zinc/75/46/59/1024754659.db2.gz QKLXTBBQEUTVHU-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP COc1c(C)cc(CN2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc1C ZINC001138428059 1024823463 /nfs/dbraw/zinc/82/34/63/1024823463.db2.gz DWXBTMQFHXNGBZ-UHFFFAOYSA-N 2 1 382.552 3.676 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(Oc3cc(Cl)ncn3)CC2)cc1 ZINC001138547303 1024993926 /nfs/dbraw/zinc/99/39/26/1024993926.db2.gz JOEXGURXKAMKBT-UHFFFAOYSA-N 2 1 383.883 3.668 20 0 GHADMP c1nn(-c2ccccc2)cc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001138601386 1025084306 /nfs/dbraw/zinc/08/43/06/1025084306.db2.gz SZIRCHJITHBLRP-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138743803 1025284319 /nfs/dbraw/zinc/28/43/19/1025284319.db2.gz IFANCEIXLJBAPE-IBGZPJMESA-N 2 1 396.560 3.880 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cc1 ZINC001138772801 1025342966 /nfs/dbraw/zinc/34/29/66/1025342966.db2.gz CRJXNWPTMDGIBV-KDURUIRLSA-N 2 1 388.515 3.657 20 0 GHADMP CCn1ncc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000838898322 1025427288 /nfs/dbraw/zinc/42/72/88/1025427288.db2.gz RTDBBCCKYHDPOB-UHFFFAOYSA-N 2 1 375.520 3.851 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cnc1Cl)CC2 ZINC001138893041 1025541572 /nfs/dbraw/zinc/54/15/72/1025541572.db2.gz UPKPIUGIZPDFBW-KRWDZBQOSA-N 2 1 393.890 3.723 20 0 GHADMP COc1cccc(CC2([NH3+])CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC2)c1 ZINC001162049643 1025564007 /nfs/dbraw/zinc/56/40/07/1025564007.db2.gz QAIHOIKXKZZKCQ-UHFFFAOYSA-N 2 1 376.504 3.601 20 0 GHADMP Brc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC001461011951 1069335392 /nfs/dbraw/zinc/33/53/92/1069335392.db2.gz LSPVZXJRAIGNDF-UHFFFAOYSA-N 2 1 375.314 3.556 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@H+](C)C/C=C/c2ccccc2)c1C ZINC001141574772 1025636869 /nfs/dbraw/zinc/63/68/69/1025636869.db2.gz BKCAAECUPXYJQB-SDNWHVSQSA-N 2 1 396.579 3.848 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)C/C=C/c2ccccc2)c1C ZINC001141574772 1025636875 /nfs/dbraw/zinc/63/68/75/1025636875.db2.gz BKCAAECUPXYJQB-SDNWHVSQSA-N 2 1 396.579 3.848 20 0 GHADMP C[C@@H]([NH3+])c1nc2ccccc2n1-c1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001162758781 1025908444 /nfs/dbraw/zinc/90/84/44/1025908444.db2.gz MMNIFFVMAFNCEK-QGZVFWFLSA-N 2 1 383.499 3.999 20 0 GHADMP C[NH+](C)[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001162902662 1025960540 /nfs/dbraw/zinc/96/05/40/1025960540.db2.gz APAMSZLVRZOQCQ-WBADGQHESA-N 2 1 397.607 3.770 20 0 GHADMP C[NH+](C)[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001162902658 1025960810 /nfs/dbraw/zinc/96/08/10/1025960810.db2.gz APAMSZLVRZOQCQ-BJESRGMDSA-N 2 1 397.607 3.770 20 0 GHADMP CCOc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162935853 1025973569 /nfs/dbraw/zinc/97/35/69/1025973569.db2.gz WSWMLATVNHIUIU-NRFANRHFSA-N 2 1 379.548 3.999 20 0 GHADMP CCn1ccc2c1cccc2C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001139154461 1025974438 /nfs/dbraw/zinc/97/44/38/1025974438.db2.gz SZQIDUZJKRWRHC-QPPBQGQZSA-N 2 1 381.564 3.842 20 0 GHADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1N(C)C ZINC001162941214 1025977409 /nfs/dbraw/zinc/97/74/09/1025977409.db2.gz RRTMZCVUJVADHH-JOCHJYFZSA-N 2 1 392.591 3.975 20 0 GHADMP Cc1ccc(N(C)C)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162940528 1025977947 /nfs/dbraw/zinc/97/79/47/1025977947.db2.gz GTCRAUKTYSHFGG-JOCHJYFZSA-N 2 1 392.591 3.975 20 0 GHADMP Fc1ccc2nc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)ccc2c1 ZINC001141645074 1026021721 /nfs/dbraw/zinc/02/17/21/1026021721.db2.gz QRTXOVAPSXLVJG-UHFFFAOYSA-N 2 1 393.510 3.615 20 0 GHADMP c1[nH+]c2cc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001163212758 1026090339 /nfs/dbraw/zinc/09/03/39/1026090339.db2.gz ZGNSDMVUAXFILL-MZKRTTBSSA-N 3 1 375.520 3.866 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H](C)C1 ZINC001163369445 1026163369 /nfs/dbraw/zinc/16/33/69/1026163369.db2.gz FJAMWHRLDLBVLC-RDTXWAMCSA-N 2 1 398.929 3.869 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH+]3CCC4(CCCc5ccccc54)CC3)s2)CC1 ZINC001139321674 1026180370 /nfs/dbraw/zinc/18/03/70/1026180370.db2.gz KEVQTDHYFNNHAG-UHFFFAOYSA-N 2 1 396.604 3.765 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001139361791 1026236646 /nfs/dbraw/zinc/23/66/46/1026236646.db2.gz PYIFALKWWCGUKK-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001139361791 1026236657 /nfs/dbraw/zinc/23/66/57/1026236657.db2.gz PYIFALKWWCGUKK-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001139361791 1026236669 /nfs/dbraw/zinc/23/66/69/1026236669.db2.gz PYIFALKWWCGUKK-JTHBVZDNSA-N 2 1 383.580 3.812 20 0 GHADMP COC(=O)c1[nH]c2ccccc2c1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139399640 1026269322 /nfs/dbraw/zinc/26/93/22/1026269322.db2.gz PFPNMEKTPOKAPY-IBGZPJMESA-N 2 1 391.515 3.908 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(-c4ccccc4)s3)CC[C@@H]2C1 ZINC001139412452 1026285954 /nfs/dbraw/zinc/28/59/54/1026285954.db2.gz INWJWSJCEBUDEB-TZIWHRDSSA-N 2 1 386.561 3.584 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)s3)CC[C@@H]2C1 ZINC001139412452 1026285964 /nfs/dbraw/zinc/28/59/64/1026285964.db2.gz INWJWSJCEBUDEB-TZIWHRDSSA-N 2 1 386.561 3.584 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)s3)CC[C@@H]2C1 ZINC001139412452 1026285972 /nfs/dbraw/zinc/28/59/72/1026285972.db2.gz INWJWSJCEBUDEB-TZIWHRDSSA-N 2 1 386.561 3.584 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccccc1-n1cncn1)CC2 ZINC001139419424 1026290649 /nfs/dbraw/zinc/29/06/49/1026290649.db2.gz KDDIDXNWIWYTHZ-QFIPXVFZSA-N 2 1 391.519 3.737 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001139513798 1026369251 /nfs/dbraw/zinc/36/92/51/1026369251.db2.gz DZSGNXMXYHPVGK-OAQYLSRUSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CCC1=O ZINC001139513798 1026369262 /nfs/dbraw/zinc/36/92/62/1026369262.db2.gz DZSGNXMXYHPVGK-OAQYLSRUSA-N 2 1 391.559 3.810 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@]1(C)O ZINC001139514241 1026369666 /nfs/dbraw/zinc/36/96/66/1026369666.db2.gz KCYYQSCYJVULLR-OFVILXPXSA-N 2 1 393.575 3.602 20 0 GHADMP C[C@]1(O)CCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139515512 1026371671 /nfs/dbraw/zinc/37/16/71/1026371671.db2.gz PTEAGYLSASNQSH-VWLOTQADSA-N 2 1 393.575 3.746 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cnc1Cl ZINC001139543686 1026406657 /nfs/dbraw/zinc/40/66/57/1026406657.db2.gz GXJWDLMCHRCMIE-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP C[NH+]1CCC2(CC[N@H+](Cc3c(Cl)ccnc3NC(=O)OC(C)(C)C)C2)CC1 ZINC001139586168 1026448484 /nfs/dbraw/zinc/44/84/84/1026448484.db2.gz KJXJFDLATLFZJB-UHFFFAOYSA-N 2 1 394.947 4.000 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3c(Cl)ccnc3NC(=O)OC(C)(C)C)C2)CC1 ZINC001139586168 1026448493 /nfs/dbraw/zinc/44/84/93/1026448493.db2.gz KJXJFDLATLFZJB-UHFFFAOYSA-N 2 1 394.947 4.000 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)CC1 ZINC001164480459 1026523437 /nfs/dbraw/zinc/52/34/37/1026523437.db2.gz RQHJKUUYAJSNLJ-ACRUOGEOSA-N 2 1 385.596 3.864 20 0 GHADMP CC[N@@H+]([C@H]1CCOC1)C1CCN(c2ccc([C@H]3CCCC[NH+]3CC)cn2)CC1 ZINC001165113326 1026614181 /nfs/dbraw/zinc/61/41/81/1026614181.db2.gz QKBUPEQQBNQACA-FCHUYYIVSA-N 2 1 386.584 3.708 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN(c2ccc([C@H]3CCCC[N@@H+]3CC)cn2)CC1 ZINC001165113326 1026614186 /nfs/dbraw/zinc/61/41/86/1026614186.db2.gz QKBUPEQQBNQACA-FCHUYYIVSA-N 2 1 386.584 3.708 20 0 GHADMP CC[NH+]([C@H]1CCOC1)C1CCN(c2ccc([C@H]3CCCC[N@H+]3CC)cn2)CC1 ZINC001165113326 1026614196 /nfs/dbraw/zinc/61/41/96/1026614196.db2.gz QKBUPEQQBNQACA-FCHUYYIVSA-N 2 1 386.584 3.708 20 0 GHADMP COc1ccc2n[nH]c(C[N@@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC001140069215 1026848857 /nfs/dbraw/zinc/84/88/57/1026848857.db2.gz MNEZYELFCMYHFS-UHFFFAOYSA-N 2 1 378.520 3.916 20 0 GHADMP COc1ccc2c(C)cc(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)[nH+]c2c1 ZINC001165910830 1026867032 /nfs/dbraw/zinc/86/70/32/1026867032.db2.gz LANBTOIZRLQYBG-UHFFFAOYSA-N 2 1 391.519 3.801 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H](O)c2ccc(F)cn2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000834382281 1026962486 /nfs/dbraw/zinc/96/24/86/1026962486.db2.gz IZKDHMALGQHMSY-PKTZIBPZSA-N 2 1 397.538 3.877 20 0 GHADMP COc1c(Cl)ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1F ZINC001209699836 1027102084 /nfs/dbraw/zinc/10/20/84/1027102084.db2.gz UYTODGOTZMWTKQ-UHFFFAOYSA-N 2 1 384.923 3.812 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccccc4F)CC3)C2)c1 ZINC001203347267 1027286272 /nfs/dbraw/zinc/28/62/72/1027286272.db2.gz BPVJGWZFMJKIES-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccccc4F)CC3)C2)c1 ZINC001203347267 1027286283 /nfs/dbraw/zinc/28/62/83/1027286283.db2.gz BPVJGWZFMJKIES-UHFFFAOYSA-N 2 1 384.495 3.701 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccccc1OC)CC2 ZINC001203428528 1027331011 /nfs/dbraw/zinc/33/10/11/1027331011.db2.gz RVKJBSKGUIYUNX-QFIPXVFZSA-N 2 1 395.547 3.593 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)[C@@H]1c1cccs1 ZINC001461234771 1069455448 /nfs/dbraw/zinc/45/54/48/1069455448.db2.gz WXCOVJPCXGWQCH-OXJNMPFZSA-N 2 1 385.512 3.641 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)[C@@H]1c1cccs1 ZINC001461234771 1069455449 /nfs/dbraw/zinc/45/54/49/1069455449.db2.gz WXCOVJPCXGWQCH-OXJNMPFZSA-N 2 1 385.512 3.641 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)c(Cl)c4)C[C@@H]3C2)cn1 ZINC001203802173 1027616521 /nfs/dbraw/zinc/61/65/21/1027616521.db2.gz FFDQVXYABDICKT-SJORKVTESA-N 2 1 379.335 3.681 20 0 GHADMP COc1ccc(Oc2cccc(C[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2)cc1 ZINC001203817117 1027629168 /nfs/dbraw/zinc/62/91/68/1027629168.db2.gz GGGWQPWZCHUCEW-BJKOFHAPSA-N 2 1 395.547 3.698 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)cc1OC ZINC001203838143 1027648054 /nfs/dbraw/zinc/64/80/54/1027648054.db2.gz MWTKRCQUQAFELT-KSEOMHKRSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1OC ZINC001203838143 1027648061 /nfs/dbraw/zinc/64/80/61/1027648061.db2.gz MWTKRCQUQAFELT-KSEOMHKRSA-N 2 1 395.547 3.831 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1OC ZINC001203838143 1027648068 /nfs/dbraw/zinc/64/80/68/1027648068.db2.gz MWTKRCQUQAFELT-KSEOMHKRSA-N 2 1 395.547 3.831 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)c2)CC1 ZINC001210805830 1027657742 /nfs/dbraw/zinc/65/77/42/1027657742.db2.gz BDFPZVYGTUBSIM-NRFANRHFSA-N 2 1 386.584 3.591 20 0 GHADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001210844208 1027674635 /nfs/dbraw/zinc/67/46/35/1027674635.db2.gz IBDLTPOSXJHZDR-PMACEKPBSA-N 2 1 388.556 3.513 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC001204063613 1027846761 /nfs/dbraw/zinc/84/67/61/1027846761.db2.gz IZSHYNBYWABOBS-INIZCTEOSA-N 2 1 396.601 3.722 20 0 GHADMP NC(=O)OC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000840863424 1027898614 /nfs/dbraw/zinc/89/86/14/1027898614.db2.gz LWQHDESATUZWSM-QFIPXVFZSA-N 2 1 399.510 3.543 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001461410023 1069538092 /nfs/dbraw/zinc/53/80/92/1069538092.db2.gz ZLNZUEHNSMWNMR-UHFFFAOYSA-N 3 1 398.639 3.963 20 0 GHADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000123746254 1028788603 /nfs/dbraw/zinc/78/86/03/1028788603.db2.gz NGRZTTFSJCANJZ-SBHAEUEKSA-N 2 1 382.552 3.721 20 0 GHADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000123746254 1028788616 /nfs/dbraw/zinc/78/86/16/1028788616.db2.gz NGRZTTFSJCANJZ-SBHAEUEKSA-N 2 1 382.552 3.721 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678932 1029484767 /nfs/dbraw/zinc/48/47/67/1029484767.db2.gz BAHOPHWGZBTBEB-VQTJNVASSA-N 2 1 385.552 3.783 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000842678932 1029484771 /nfs/dbraw/zinc/48/47/71/1029484771.db2.gz BAHOPHWGZBTBEB-VQTJNVASSA-N 2 1 385.552 3.783 20 0 GHADMP COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684159 1029490113 /nfs/dbraw/zinc/49/01/13/1029490113.db2.gz XZCRFXIIQYLUMG-OFNKIYASSA-N 2 1 396.531 3.524 20 0 GHADMP COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000842684159 1029490117 /nfs/dbraw/zinc/49/01/17/1029490117.db2.gz XZCRFXIIQYLUMG-OFNKIYASSA-N 2 1 396.531 3.524 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000842920745 1029684961 /nfs/dbraw/zinc/68/49/61/1029684961.db2.gz LDVGUMSAKYRURT-ZNLUXHQJSA-N 2 1 379.504 3.639 20 0 GHADMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc(OC)c1OCc1ccccc1 ZINC000843055304 1029789676 /nfs/dbraw/zinc/78/96/76/1029789676.db2.gz XIDDBIOENKDCHV-UHFFFAOYSA-N 2 1 384.520 3.985 20 0 GHADMP C[NH2+]C[C@@H](C)c1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000843207220 1029852482 /nfs/dbraw/zinc/85/24/82/1029852482.db2.gz LKQXPSCGMOUYLU-QGZVFWFLSA-N 2 1 392.503 3.559 20 0 GHADMP Brc1ccc2sc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)cc2c1 ZINC001222181752 1029991582 /nfs/dbraw/zinc/99/15/82/1029991582.db2.gz XNMKAOXBCPAIMU-UHFFFAOYSA-N 2 1 381.339 3.618 20 0 GHADMP COc1ccccc1Sc1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001222186244 1029993002 /nfs/dbraw/zinc/99/30/02/1029993002.db2.gz BEQWPPSZHYCCJA-UHFFFAOYSA-N 2 1 384.545 3.801 20 0 GHADMP COc1ccccc1Sc1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001222186244 1029993013 /nfs/dbraw/zinc/99/30/13/1029993013.db2.gz BEQWPPSZHYCCJA-UHFFFAOYSA-N 2 1 384.545 3.801 20 0 GHADMP Brc1cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1-n1ccnc1 ZINC001222320971 1030069200 /nfs/dbraw/zinc/06/92/00/1030069200.db2.gz PIYMQYUKGBSAGS-LJQANCHMSA-N 2 1 389.341 3.743 20 0 GHADMP Brc1cc(C[N@H+]2CCC[C@@]23CCC[NH2+]CC3)ccc1-n1ccnc1 ZINC001222320971 1030069213 /nfs/dbraw/zinc/06/92/13/1030069213.db2.gz PIYMQYUKGBSAGS-LJQANCHMSA-N 2 1 389.341 3.743 20 0 GHADMP Brc1cc(C[N@@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1-n1cccn1 ZINC001222321419 1030069379 /nfs/dbraw/zinc/06/93/79/1030069379.db2.gz VUBPYEMDFRQQBN-IBGZPJMESA-N 2 1 389.341 3.743 20 0 GHADMP Brc1cc(C[N@H+]2CCC[C@]23CCC[NH2+]CC3)ccc1-n1cccn1 ZINC001222321419 1030069400 /nfs/dbraw/zinc/06/94/00/1030069400.db2.gz VUBPYEMDFRQQBN-IBGZPJMESA-N 2 1 389.341 3.743 20 0 GHADMP COc1ncc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1C ZINC001222577387 1030206844 /nfs/dbraw/zinc/20/68/44/1030206844.db2.gz ZIIYWNSJXKTNIX-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1ncc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1C ZINC001222577387 1030206860 /nfs/dbraw/zinc/20/68/60/1030206860.db2.gz ZIIYWNSJXKTNIX-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1ccccc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222576166 1030207643 /nfs/dbraw/zinc/20/76/43/1030207643.db2.gz RCAPOXLRQLXBOO-JOCHJYFZSA-N 2 1 380.532 3.999 20 0 GHADMP CCCn1cc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222584456 1030212615 /nfs/dbraw/zinc/21/26/15/1030212615.db2.gz RQZWXSFPAPSPNT-JOCHJYFZSA-N 2 1 382.552 3.597 20 0 GHADMP CCCn1cc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cn1 ZINC001222584456 1030212628 /nfs/dbraw/zinc/21/26/28/1030212628.db2.gz RQZWXSFPAPSPNT-JOCHJYFZSA-N 2 1 382.552 3.597 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001150152572 1030430147 /nfs/dbraw/zinc/43/01/47/1030430147.db2.gz AZMHTLXXOBILIW-HUVFLSCGSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001150152572 1030430153 /nfs/dbraw/zinc/43/01/53/1030430153.db2.gz AZMHTLXXOBILIW-HUVFLSCGSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001150152572 1030430163 /nfs/dbraw/zinc/43/01/63/1030430163.db2.gz AZMHTLXXOBILIW-HUVFLSCGSA-N 2 1 391.559 3.535 20 0 GHADMP Cc1cc(Cl)c(C[N@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c(Cl)c1 ZINC001276907106 1030673850 /nfs/dbraw/zinc/67/38/50/1030673850.db2.gz CHUWTOWCXDPZGW-FQEVSTJZSA-N 2 1 398.378 3.820 20 0 GHADMP Cc1cc(Cl)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c(Cl)c1 ZINC001276907106 1030673862 /nfs/dbraw/zinc/67/38/62/1030673862.db2.gz CHUWTOWCXDPZGW-FQEVSTJZSA-N 2 1 398.378 3.820 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001150920516 1030707777 /nfs/dbraw/zinc/70/77/77/1030707777.db2.gz MXGMVZHNRCCTBW-IBGZPJMESA-N 2 1 394.346 3.844 20 0 GHADMP C[NH+](C)C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001150920516 1030707788 /nfs/dbraw/zinc/70/77/88/1030707788.db2.gz MXGMVZHNRCCTBW-IBGZPJMESA-N 2 1 394.346 3.844 20 0 GHADMP C[N@@H+]1CCc2cc(Cl)c(O[C@H]3CC[NH2+]CC(=O)C3)cc2[C@@H](c2ccccc2)C1 ZINC001218194423 1030817438 /nfs/dbraw/zinc/81/74/38/1030817438.db2.gz RDPXGUAZENLDPF-PZJWPPBQSA-N 2 1 398.934 3.660 20 0 GHADMP C[N@H+]1CCc2cc(Cl)c(O[C@H]3CC[NH2+]CC(=O)C3)cc2[C@@H](c2ccccc2)C1 ZINC001218194423 1030817457 /nfs/dbraw/zinc/81/74/57/1030817457.db2.gz RDPXGUAZENLDPF-PZJWPPBQSA-N 2 1 398.934 3.660 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(OC3CC(C(=O)OCc4ccccc4)C3)cc2)CC1 ZINC001218231601 1030842053 /nfs/dbraw/zinc/84/20/53/1030842053.db2.gz VMCWNOFPPAMFGU-UHFFFAOYSA-N 2 1 394.515 3.511 20 0 GHADMP Clc1ccc(C[N@@H+]2CC[C@H](Oc3ccc4c(n3)CC[NH2+]CC4)C2)cc1Cl ZINC001218390949 1030916984 /nfs/dbraw/zinc/91/69/84/1030916984.db2.gz PALCNKCCYJLTFP-INIZCTEOSA-N 2 1 392.330 3.730 20 0 GHADMP Clc1ccc(C[N@H+]2CC[C@H](Oc3ccc4c(n3)CC[NH2+]CC4)C2)cc1Cl ZINC001218390949 1030916989 /nfs/dbraw/zinc/91/69/89/1030916989.db2.gz PALCNKCCYJLTFP-INIZCTEOSA-N 2 1 392.330 3.730 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2C[NH2+]CCC24CC4)c1-3 ZINC001218407517 1030926053 /nfs/dbraw/zinc/92/60/53/1030926053.db2.gz XLCYAVHYAHAGSK-QUCCMNQESA-N 2 1 376.500 3.665 20 0 GHADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC001224244380 1030938674 /nfs/dbraw/zinc/93/86/74/1030938674.db2.gz CBRKAKSPBWGEGP-NRFANRHFSA-N 2 1 386.584 3.687 20 0 GHADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001224244380 1030938679 /nfs/dbraw/zinc/93/86/79/1030938679.db2.gz CBRKAKSPBWGEGP-NRFANRHFSA-N 2 1 386.584 3.687 20 0 GHADMP CC[C@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001224244380 1030938682 /nfs/dbraw/zinc/93/86/82/1030938682.db2.gz CBRKAKSPBWGEGP-NRFANRHFSA-N 2 1 386.584 3.687 20 0 GHADMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H]2C[NH2+]CCC2(F)F)cc13 ZINC001218450962 1030941207 /nfs/dbraw/zinc/94/12/07/1030941207.db2.gz AWGLZSWLBAKMGW-AYWYSENESA-N 2 1 376.491 3.751 20 0 GHADMP Cc1nc2c(c(O[C@@H]3C[NH2+]Cc4ccccc43)n1)C[N@H+](Cc1ccccc1)CC2 ZINC001218485857 1030957699 /nfs/dbraw/zinc/95/76/99/1030957699.db2.gz BVMHENJUQKWAEU-HSZRJFAPSA-N 2 1 386.499 3.567 20 0 GHADMP Cc1nc2c(c(O[C@@H]3C[NH2+]Cc4ccccc43)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001218485857 1030957701 /nfs/dbraw/zinc/95/77/01/1030957701.db2.gz BVMHENJUQKWAEU-HSZRJFAPSA-N 2 1 386.499 3.567 20 0 GHADMP CCCC[N@@H+](CC)[C@H](C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)c1ccccc1 ZINC001218726512 1031052208 /nfs/dbraw/zinc/05/22/08/1031052208.db2.gz FOUPEWBKEWKPQJ-IRLDBZIGSA-N 2 1 396.535 3.624 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC001224846693 1031148099 /nfs/dbraw/zinc/14/80/99/1031148099.db2.gz WWEPSDUETKFKOL-BGYRXZFFSA-N 2 1 380.621 3.650 20 0 GHADMP C[N@@H+](CCC(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1)Cc1ccccc1 ZINC001219128222 1031264770 /nfs/dbraw/zinc/26/47/70/1031264770.db2.gz DCKJSGPRFZEIBC-UHFFFAOYSA-N 2 1 399.510 3.665 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC001225272316 1031327977 /nfs/dbraw/zinc/32/79/77/1031327977.db2.gz IAVJOTWZWGZLBC-OFNKIYASSA-N 2 1 394.563 3.514 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[NH+](C)C)cc1 ZINC001225272316 1031327991 /nfs/dbraw/zinc/32/79/91/1031327991.db2.gz IAVJOTWZWGZLBC-OFNKIYASSA-N 2 1 394.563 3.514 20 0 GHADMP CC(C)(CC1CCC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728626 1031580807 /nfs/dbraw/zinc/58/08/07/1031580807.db2.gz CMRDSVDIAIQBBU-QFIPXVFZSA-N 2 1 397.607 3.821 20 0 GHADMP C=Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001219730914 1031582385 /nfs/dbraw/zinc/58/23/85/1031582385.db2.gz CXBUNKXUVQWBFK-QHCPKHFHSA-N 2 1 389.543 3.561 20 0 GHADMP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219825225 1031638350 /nfs/dbraw/zinc/63/83/50/1031638350.db2.gz FKQAWIRKWNYKHJ-FUHWJXTLSA-N 2 1 389.952 3.574 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001153638970 1031684616 /nfs/dbraw/zinc/68/46/16/1031684616.db2.gz ZBLYVUDFUJHSBQ-LAUBAEHRSA-N 2 1 376.504 3.541 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1 ZINC001220061995 1031761069 /nfs/dbraw/zinc/76/10/69/1031761069.db2.gz IGMLBUXOXVAEPW-QUCCMNQESA-N 2 1 389.584 3.505 20 0 GHADMP [NH3+]C1(CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCC1 ZINC001220497419 1031965633 /nfs/dbraw/zinc/96/56/33/1031965633.db2.gz WMFJKCNSJLECPJ-UHFFFAOYSA-N 2 1 384.351 3.593 20 0 GHADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC001205230692 1033319163 /nfs/dbraw/zinc/31/91/63/1033319163.db2.gz UAFPSJLXROOECG-QGZVFWFLSA-N 2 1 385.455 3.505 20 0 GHADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC001205248721 1033325081 /nfs/dbraw/zinc/32/50/81/1033325081.db2.gz RRXUXUYSLCEIRE-HXUWFJFHSA-N 2 1 394.437 3.928 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001205315343 1033356267 /nfs/dbraw/zinc/35/62/67/1033356267.db2.gz DWVMBLFOJXOUJR-XLIONFOSSA-N 2 1 384.520 3.700 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001205315343 1033356280 /nfs/dbraw/zinc/35/62/80/1033356280.db2.gz DWVMBLFOJXOUJR-XLIONFOSSA-N 2 1 384.520 3.700 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC001461848346 1069789190 /nfs/dbraw/zinc/78/91/90/1069789190.db2.gz AGHLNXFMSCDGER-UGKGYDQZSA-N 2 1 379.589 3.831 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc1 ZINC001205638351 1033504762 /nfs/dbraw/zinc/50/47/62/1033504762.db2.gz MSPZPPZXWIKBPV-WIYYLYMNSA-N 2 1 396.531 3.859 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1C ZINC001206023264 1033691866 /nfs/dbraw/zinc/69/18/66/1033691866.db2.gz FDGRTRYBZBWMGP-LSDHHAIUSA-N 2 1 386.321 3.715 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCC[C@H]([NH3+])[C@H]4C)c23)C1 ZINC001157746502 1033750114 /nfs/dbraw/zinc/75/01/14/1033750114.db2.gz QSPQHPFLGZHJQK-INMHGKMJSA-N 2 1 399.608 3.728 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206317612 1033793100 /nfs/dbraw/zinc/79/31/00/1033793100.db2.gz ICJHJTDPSVLQFP-HXUWFJFHSA-N 2 1 377.916 3.949 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(F)ccc(I)c2F)CC1 ZINC001206327289 1033797808 /nfs/dbraw/zinc/79/78/08/1033797808.db2.gz UZPUBHLSCFJAGD-HNNXBMFYSA-N 2 1 394.247 3.520 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(F)ccc(I)c2F)CC1 ZINC001206327289 1033797821 /nfs/dbraw/zinc/79/78/21/1033797821.db2.gz UZPUBHLSCFJAGD-HNNXBMFYSA-N 2 1 394.247 3.520 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ncc(Br)cc2Br)CC1 ZINC001206327092 1033798448 /nfs/dbraw/zinc/79/84/48/1033798448.db2.gz SLPXJLGTYQWJDQ-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ncc(Br)cc2Br)CC1 ZINC001206327092 1033798456 /nfs/dbraw/zinc/79/84/56/1033798456.db2.gz SLPXJLGTYQWJDQ-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3cccn3)c(Br)c2)C1 ZINC001206573543 1033912180 /nfs/dbraw/zinc/91/21/80/1033912180.db2.gz NAEGQPYXLZZLBG-GOSISDBHSA-N 2 1 377.330 3.586 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3cccn3)c(Br)c2)C1 ZINC001206573543 1033912183 /nfs/dbraw/zinc/91/21/83/1033912183.db2.gz NAEGQPYXLZZLBG-GOSISDBHSA-N 2 1 377.330 3.586 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(-n3ccnc3)c(Br)c2)C1 ZINC001206573878 1033913325 /nfs/dbraw/zinc/91/33/25/1033913325.db2.gz OQTHZZSQCWRYKI-GOSISDBHSA-N 2 1 377.330 3.586 20 0 GHADMP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(-n3ccnc3)c(Br)c2)C1 ZINC001206573878 1033913328 /nfs/dbraw/zinc/91/33/28/1033913328.db2.gz OQTHZZSQCWRYKI-GOSISDBHSA-N 2 1 377.330 3.586 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(F)c(I)c1)[C@@H]1CCC[NH2+]CC1 ZINC001206590992 1033917869 /nfs/dbraw/zinc/91/78/69/1033917869.db2.gz OTBLRKIYDGFJAP-CQSZACIVSA-N 2 1 390.284 3.783 20 0 GHADMP COc1ccc(CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001158157577 1033942703 /nfs/dbraw/zinc/94/27/03/1033942703.db2.gz AYABYDDNLWFEFM-AQYVVDRMSA-N 2 1 394.563 3.961 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206728382 1033959375 /nfs/dbraw/zinc/95/93/75/1033959375.db2.gz WJUJXMMARBLENZ-XMMPIXPASA-N 2 1 394.559 3.982 20 0 GHADMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC001206728382 1033959383 /nfs/dbraw/zinc/95/93/83/1033959383.db2.gz WJUJXMMARBLENZ-XMMPIXPASA-N 2 1 394.559 3.982 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001206749716 1033968588 /nfs/dbraw/zinc/96/85/88/1033968588.db2.gz USNIAYBKSOYZBQ-UHFFFAOYSA-N 2 1 386.561 3.932 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccnc(Br)c2Cl)CC1 ZINC001206761340 1033973771 /nfs/dbraw/zinc/97/37/71/1033973771.db2.gz WZDVZSCBYHZBPX-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001206800812 1033988681 /nfs/dbraw/zinc/98/86/81/1033988681.db2.gz OBMLYMKCADWWMO-BRWVUGGUSA-N 2 1 389.531 3.683 20 0 GHADMP Fc1ccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001207043511 1034066435 /nfs/dbraw/zinc/06/64/35/1034066435.db2.gz GGQDWAJBRABPGD-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ncc3ccccn31)CC2 ZINC001207051606 1034070761 /nfs/dbraw/zinc/07/07/61/1034070761.db2.gz KZLFJAANTWZAPC-QFIPXVFZSA-N 2 1 390.531 3.590 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001207193269 1034162816 /nfs/dbraw/zinc/16/28/16/1034162816.db2.gz JLMZIPNBDWTCHW-FQEVSTJZSA-N 2 1 379.589 3.974 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](CCOCc4ccccc4)CC3)C2)c1 ZINC001207231014 1034197326 /nfs/dbraw/zinc/19/73/26/1034197326.db2.gz IXRWXHXYTHOBGU-UHFFFAOYSA-N 2 1 386.561 3.632 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](CCOCc4ccccc4)CC3)C2)c1 ZINC001207231014 1034197336 /nfs/dbraw/zinc/19/73/36/1034197336.db2.gz IXRWXHXYTHOBGU-UHFFFAOYSA-N 2 1 386.561 3.632 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291461 1034242748 /nfs/dbraw/zinc/24/27/48/1034242748.db2.gz RHTOHIOVMNCYLW-BJKOFHAPSA-N 2 1 386.580 3.806 20 0 GHADMP c1ccc(CN2C[C@H]3C[NH+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@@H]3C2)cc1 ZINC001207291879 1034243918 /nfs/dbraw/zinc/24/39/18/1034243918.db2.gz DURIZODZOUAJEC-UIOOFZCWSA-N 2 1 389.587 3.962 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(CCCc2ccc(Br)cc2)CC1 ZINC001207322002 1034269632 /nfs/dbraw/zinc/26/96/32/1034269632.db2.gz GWTJEFFCNMKBJP-HXUWFJFHSA-N 2 1 395.385 3.957 20 0 GHADMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207322002 1034269637 /nfs/dbraw/zinc/26/96/37/1034269637.db2.gz GWTJEFFCNMKBJP-HXUWFJFHSA-N 2 1 395.385 3.957 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(Br)cc2)CC1 ZINC001207322002 1034269640 /nfs/dbraw/zinc/26/96/40/1034269640.db2.gz GWTJEFFCNMKBJP-HXUWFJFHSA-N 2 1 395.385 3.957 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001230895006 1034277023 /nfs/dbraw/zinc/27/70/23/1034277023.db2.gz FBPYTGOMKKKQEI-NRFANRHFSA-N 2 1 394.563 3.538 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CCO1 ZINC001207352952 1034296839 /nfs/dbraw/zinc/29/68/39/1034296839.db2.gz BSMIASMPXPIXLO-GOSISDBHSA-N 2 1 378.582 3.620 20 0 GHADMP Clc1cccc(CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207424664 1034360803 /nfs/dbraw/zinc/36/08/03/1034360803.db2.gz XMUDHLYHAPZNHH-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1cccc(CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207424664 1034360821 /nfs/dbraw/zinc/36/08/21/1034360821.db2.gz XMUDHLYHAPZNHH-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP Clc1cccc(CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001207424664 1034360835 /nfs/dbraw/zinc/36/08/35/1034360835.db2.gz XMUDHLYHAPZNHH-IFMALSPDSA-N 2 1 385.939 3.500 20 0 GHADMP CC(C)(C)Oc1ccc([C@H]2CCN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)cc1 ZINC001158973001 1034364356 /nfs/dbraw/zinc/36/43/56/1034364356.db2.gz QKKATCCNOUKXLW-SFHVURJKSA-N 2 1 395.551 3.575 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001231105742 1034400596 /nfs/dbraw/zinc/40/05/96/1034400596.db2.gz IEIBPBRWORBPPJ-QFIPXVFZSA-N 2 1 392.632 3.937 20 0 GHADMP Cc1cc(N2CCCC2)nc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001159288006 1034525068 /nfs/dbraw/zinc/52/50/68/1034525068.db2.gz JLGDFAZFYGODOV-MZADTFQBSA-N 2 1 377.536 3.993 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](CC1CCSCC1)CC2 ZINC001207707157 1034535825 /nfs/dbraw/zinc/53/58/25/1034535825.db2.gz OWUGYQZLZZFTGN-NRFANRHFSA-N 2 1 389.609 3.528 20 0 GHADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001159315424 1034540835 /nfs/dbraw/zinc/54/08/35/1034540835.db2.gz IZCAJWXYHWQGGZ-JOCHJYFZSA-N 2 1 383.580 3.671 20 0 GHADMP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207768538 1034565856 /nfs/dbraw/zinc/56/58/56/1034565856.db2.gz ICXRTMSTQHRJHH-QPXUXIHVSA-N 2 1 386.580 3.708 20 0 GHADMP C[C@@H](Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC001159500381 1034621506 /nfs/dbraw/zinc/62/15/06/1034621506.db2.gz CLENLQYOTBPVNQ-UTKZUKDTSA-N 2 1 399.498 3.876 20 0 GHADMP c1[nH]c2cnccc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001231516026 1034665032 /nfs/dbraw/zinc/66/50/32/1034665032.db2.gz BOCKIXUNPQAACH-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]c2cnccc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001231516026 1034665037 /nfs/dbraw/zinc/66/50/37/1034665037.db2.gz BOCKIXUNPQAACH-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cnccc34)C[C@H]21 ZINC001231518107 1034669746 /nfs/dbraw/zinc/66/97/46/1034669746.db2.gz MJEHNFTWSDBNLT-AMHTUMDSSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cnccc34)C[C@H]21 ZINC001231518107 1034669754 /nfs/dbraw/zinc/66/97/54/1034669754.db2.gz MJEHNFTWSDBNLT-AMHTUMDSSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4cnccc34)C[C@H]21 ZINC001231518107 1034669763 /nfs/dbraw/zinc/66/97/63/1034669763.db2.gz MJEHNFTWSDBNLT-AMHTUMDSSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cnccc34)C[C@H]21 ZINC001231518107 1034669772 /nfs/dbraw/zinc/66/97/72/1034669772.db2.gz MJEHNFTWSDBNLT-AMHTUMDSSA-N 2 1 375.520 3.690 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](C)Cc3ccc(C(C)C)cc3)CC[C@@H]2C1 ZINC001207940308 1034669996 /nfs/dbraw/zinc/66/99/96/1034669996.db2.gz NJAFQRLVIQBOGM-AGILITTLSA-N 2 1 388.596 3.658 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](C)Cc3ccc(C(C)C)cc3)CC[C@@H]2C1 ZINC001207940308 1034670001 /nfs/dbraw/zinc/67/00/01/1034670001.db2.gz NJAFQRLVIQBOGM-AGILITTLSA-N 2 1 388.596 3.658 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](C)Cc3ccc(C(C)C)cc3)CC[C@@H]2C1 ZINC001207940308 1034670004 /nfs/dbraw/zinc/67/00/04/1034670004.db2.gz NJAFQRLVIQBOGM-AGILITTLSA-N 2 1 388.596 3.658 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001208108039 1034738795 /nfs/dbraw/zinc/73/87/95/1034738795.db2.gz NYRUUSOQGNNNIM-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153290 1034756311 /nfs/dbraw/zinc/75/63/11/1034756311.db2.gz FAHCTSMPDNZILS-QTGUNEKASA-N 2 1 383.536 3.700 20 0 GHADMP Cc1ccc([C@@H](C)CC[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153290 1034756331 /nfs/dbraw/zinc/75/63/31/1034756331.db2.gz FAHCTSMPDNZILS-QTGUNEKASA-N 2 1 383.536 3.700 20 0 GHADMP Cc1ccc([C@@H](C)CC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC001208153290 1034756345 /nfs/dbraw/zinc/75/63/45/1034756345.db2.gz FAHCTSMPDNZILS-QTGUNEKASA-N 2 1 383.536 3.700 20 0 GHADMP CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001208179694 1034777289 /nfs/dbraw/zinc/77/72/89/1034777289.db2.gz ZZLRPBOWIXCZOE-GGAORHGYSA-N 2 1 383.580 3.988 20 0 GHADMP C[NH+](C)CC1(CN2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)CCCC1 ZINC001208185963 1034782709 /nfs/dbraw/zinc/78/27/09/1034782709.db2.gz FKVMBHSUKVADKU-UHFFFAOYSA-N 2 1 396.579 3.787 20 0 GHADMP C[NH+](C)CC1(CN2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)CCCC1 ZINC001208185963 1034782723 /nfs/dbraw/zinc/78/27/23/1034782723.db2.gz FKVMBHSUKVADKU-UHFFFAOYSA-N 2 1 396.579 3.787 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCCC1 ZINC001208192722 1034788492 /nfs/dbraw/zinc/78/84/92/1034788492.db2.gz XQFBDFFOMHFLFE-JOCHJYFZSA-N 2 1 391.506 3.516 20 0 GHADMP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001231788278 1034909995 /nfs/dbraw/zinc/90/99/95/1034909995.db2.gz RVJLCKLEGRMFEB-SGNDLWITSA-N 2 1 395.595 3.850 20 0 GHADMP CC(C)Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)cc1 ZINC001231788278 1034910002 /nfs/dbraw/zinc/91/00/02/1034910002.db2.gz RVJLCKLEGRMFEB-SGNDLWITSA-N 2 1 395.595 3.850 20 0 GHADMP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)cc1 ZINC001231788278 1034910004 /nfs/dbraw/zinc/91/00/04/1034910004.db2.gz RVJLCKLEGRMFEB-SGNDLWITSA-N 2 1 395.595 3.850 20 0 GHADMP CC(C)Cc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)cc1 ZINC001231788278 1034910009 /nfs/dbraw/zinc/91/00/09/1034910009.db2.gz RVJLCKLEGRMFEB-SGNDLWITSA-N 2 1 395.595 3.850 20 0 GHADMP c1ccc(O[C@@H]2CCC[NH2+]C2)c(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)c1 ZINC001160233636 1034911621 /nfs/dbraw/zinc/91/16/21/1034911621.db2.gz RQDCVUQBCMXNRO-OAQYLSRUSA-N 2 1 393.531 3.882 20 0 GHADMP CN1CC[NH+](Cc2ccc(Nc3ccc(C[C@H]4CCC[NH2+]C4)cc3)cc2)CC1 ZINC001160266146 1034922854 /nfs/dbraw/zinc/92/28/54/1034922854.db2.gz RTQCNZBBMVXNDH-JOCHJYFZSA-N 2 1 378.564 3.720 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606819 1034951850 /nfs/dbraw/zinc/95/18/50/1034951850.db2.gz HEHURWZWJQJILT-CTNGQTDRSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606819 1034951856 /nfs/dbraw/zinc/95/18/56/1034951856.db2.gz HEHURWZWJQJILT-CTNGQTDRSA-N 2 1 399.579 3.665 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@@H](c3ccccc3)C3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208606819 1034951863 /nfs/dbraw/zinc/95/18/63/1034951863.db2.gz HEHURWZWJQJILT-CTNGQTDRSA-N 2 1 399.579 3.665 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC001208608430 1034953497 /nfs/dbraw/zinc/95/34/97/1034953497.db2.gz SLXQOBOMCSWSKI-DZFGPLHGSA-N 2 1 385.552 3.547 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC001208608430 1034953501 /nfs/dbraw/zinc/95/35/01/1034953501.db2.gz SLXQOBOMCSWSKI-DZFGPLHGSA-N 2 1 385.552 3.547 20 0 GHADMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC001208608430 1034953504 /nfs/dbraw/zinc/95/35/04/1034953504.db2.gz SLXQOBOMCSWSKI-DZFGPLHGSA-N 2 1 385.552 3.547 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)C1 ZINC001208608430 1034953507 /nfs/dbraw/zinc/95/35/07/1034953507.db2.gz SLXQOBOMCSWSKI-DZFGPLHGSA-N 2 1 385.552 3.547 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)C1 ZINC001208613270 1034955598 /nfs/dbraw/zinc/95/55/98/1034955598.db2.gz LLHPENJMQBIJBZ-LJQANCHMSA-N 2 1 389.547 3.918 20 0 GHADMP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001160595626 1035012831 /nfs/dbraw/zinc/01/28/31/1035012831.db2.gz QUCRIGFBCOHOJR-XDNSSPFJSA-N 2 1 383.580 3.549 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](CCc4cccnc4OC(C)C)C[C@@H]3C2)cc1 ZINC001208790587 1035024307 /nfs/dbraw/zinc/02/43/07/1035024307.db2.gz FYSCYHDQVCCIOO-DHIUTWEWSA-N 2 1 379.548 3.784 20 0 GHADMP Cc1cc(NC2=CC[N@@H+](C)CC2)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001208803480 1035030590 /nfs/dbraw/zinc/03/05/90/1035030590.db2.gz XTYHZXBAMTUMOS-UHFFFAOYSA-N 2 1 379.552 3.735 20 0 GHADMP COc1cccc(-c2nn(C)c3c2[C@H]2C[N@@H+](Cc4cc5c[nH+]ccc5[nH]4)C[C@H]2C3)c1 ZINC001232014135 1035044117 /nfs/dbraw/zinc/04/41/17/1035044117.db2.gz YFUSYPORTANBQX-XLIONFOSSA-N 2 1 399.498 3.744 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@@H](C)C(F)(F)F)CC2 ZINC001208888283 1035076441 /nfs/dbraw/zinc/07/64/41/1035076441.db2.gz PAZDDMZEGPKOEL-HUUCEWRRSA-N 2 1 391.503 3.644 20 0 GHADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937328 1035104996 /nfs/dbraw/zinc/10/49/96/1035104996.db2.gz SCERFHOKBYXBOU-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937328 1035104999 /nfs/dbraw/zinc/10/49/99/1035104999.db2.gz SCERFHOKBYXBOU-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937328 1035105001 /nfs/dbraw/zinc/10/50/01/1035105001.db2.gz SCERFHOKBYXBOU-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937328 1035105003 /nfs/dbraw/zinc/10/50/03/1035105003.db2.gz SCERFHOKBYXBOU-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208938978 1035106140 /nfs/dbraw/zinc/10/61/40/1035106140.db2.gz AOVNZCWHGSEZQV-GGAORHGYSA-N 2 1 395.547 3.846 20 0 GHADMP COc1ccc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208938978 1035106143 /nfs/dbraw/zinc/10/61/43/1035106143.db2.gz AOVNZCWHGSEZQV-GGAORHGYSA-N 2 1 395.547 3.846 20 0 GHADMP COc1ccc(O[C@H]2CCC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208938978 1035106145 /nfs/dbraw/zinc/10/61/45/1035106145.db2.gz AOVNZCWHGSEZQV-GGAORHGYSA-N 2 1 395.547 3.846 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941932 1035111501 /nfs/dbraw/zinc/11/15/01/1035111501.db2.gz NQQFVISVJYIEPX-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941932 1035111508 /nfs/dbraw/zinc/11/15/08/1035111508.db2.gz NQQFVISVJYIEPX-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]2C1 ZINC001208941932 1035111512 /nfs/dbraw/zinc/11/15/12/1035111512.db2.gz NQQFVISVJYIEPX-BDTNDASRSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941900 1035111598 /nfs/dbraw/zinc/11/15/98/1035111598.db2.gz NOICBWNEDGYHTR-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208941900 1035111603 /nfs/dbraw/zinc/11/16/03/1035111603.db2.gz NOICBWNEDGYHTR-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208941900 1035111608 /nfs/dbraw/zinc/11/16/08/1035111608.db2.gz NOICBWNEDGYHTR-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208941900 1035111614 /nfs/dbraw/zinc/11/16/14/1035111614.db2.gz NOICBWNEDGYHTR-URXFXBBRSA-N 2 1 399.579 3.984 20 0 GHADMP C[C@@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948396 1035119009 /nfs/dbraw/zinc/11/90/09/1035119009.db2.gz PSYWAXLSMNJOBX-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948396 1035119014 /nfs/dbraw/zinc/11/90/14/1035119014.db2.gz PSYWAXLSMNJOBX-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948396 1035119019 /nfs/dbraw/zinc/11/90/19/1035119019.db2.gz PSYWAXLSMNJOBX-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001208948396 1035119023 /nfs/dbraw/zinc/11/90/23/1035119023.db2.gz PSYWAXLSMNJOBX-HLAWJBBLSA-N 2 1 387.568 3.744 20 0 GHADMP c1ccc(C[NH+]2C[C@H]3CN(C[C@@H]4CC[N@@H+](Cc5ccccc5)C4)C[C@H]3C2)cc1 ZINC001208949692 1035121019 /nfs/dbraw/zinc/12/10/19/1035121019.db2.gz NJOLEESWUDAWRS-SDHSZQHLSA-N 2 1 375.560 3.572 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](CN3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208949692 1035121025 /nfs/dbraw/zinc/12/10/25/1035121025.db2.gz NJOLEESWUDAWRS-SDHSZQHLSA-N 2 1 375.560 3.572 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H](CN3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)C2)cc1 ZINC001208949692 1035121028 /nfs/dbraw/zinc/12/10/28/1035121028.db2.gz NJOLEESWUDAWRS-SDHSZQHLSA-N 2 1 375.560 3.572 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C[NH+](C)C)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001232145176 1035122701 /nfs/dbraw/zinc/12/27/01/1035122701.db2.gz XATGSZVYATTYGZ-APWZRJJASA-N 2 1 393.547 3.870 20 0 GHADMP CCOC[C@H]1COCCC12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208951958 1035123790 /nfs/dbraw/zinc/12/37/90/1035123790.db2.gz ONQJKHTYGZFRRG-PKTZIBPZSA-N 2 1 386.580 3.664 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001232147395 1035125060 /nfs/dbraw/zinc/12/50/60/1035125060.db2.gz HPQKQSOIGCDEOW-VWNXMTODSA-N 2 1 381.539 3.984 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952813 1035126225 /nfs/dbraw/zinc/12/62/25/1035126225.db2.gz MAYKCTNUSGHOBM-MLNNCEHLSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952813 1035126232 /nfs/dbraw/zinc/12/62/32/1035126232.db2.gz MAYKCTNUSGHOBM-MLNNCEHLSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952813 1035126238 /nfs/dbraw/zinc/12/62/38/1035126238.db2.gz MAYKCTNUSGHOBM-MLNNCEHLSA-N 2 1 384.564 3.951 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952813 1035126244 /nfs/dbraw/zinc/12/62/44/1035126244.db2.gz MAYKCTNUSGHOBM-MLNNCEHLSA-N 2 1 384.564 3.951 20 0 GHADMP CO[C@H](C[NH+]1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC001208960302 1035131113 /nfs/dbraw/zinc/13/11/13/1035131113.db2.gz VRLFRNPDLLGTMA-ILBGXUMGSA-N 2 1 393.575 3.514 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C[C@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209002652 1035145039 /nfs/dbraw/zinc/14/50/39/1035145039.db2.gz IWQCSYGUWAUPMU-HXUWFJFHSA-N 2 1 391.531 3.731 20 0 GHADMP COC(=O)CCCCCCCCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001209096444 1035171606 /nfs/dbraw/zinc/17/16/06/1035171606.db2.gz CFPWJFSYKXGCGO-UHFFFAOYSA-N 2 1 382.589 3.855 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001209127479 1035185649 /nfs/dbraw/zinc/18/56/49/1035185649.db2.gz VLGPOUMEJHLRNG-QGZVFWFLSA-N 2 1 398.469 3.597 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001209127479 1035185653 /nfs/dbraw/zinc/18/56/53/1035185653.db2.gz VLGPOUMEJHLRNG-QGZVFWFLSA-N 2 1 398.469 3.597 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001209144611 1035192234 /nfs/dbraw/zinc/19/22/34/1035192234.db2.gz HOXCAHZIYFOUQL-OEMFJLHTSA-N 2 1 391.559 3.792 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001209144611 1035192236 /nfs/dbraw/zinc/19/22/36/1035192236.db2.gz HOXCAHZIYFOUQL-OEMFJLHTSA-N 2 1 391.559 3.792 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001209144611 1035192239 /nfs/dbraw/zinc/19/22/39/1035192239.db2.gz HOXCAHZIYFOUQL-OEMFJLHTSA-N 2 1 391.559 3.792 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001209144611 1035192244 /nfs/dbraw/zinc/19/22/44/1035192244.db2.gz HOXCAHZIYFOUQL-OEMFJLHTSA-N 2 1 391.559 3.792 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CCCc4ccncc4)CC3)C2)cc1 ZINC001209186904 1035204803 /nfs/dbraw/zinc/20/48/03/1035204803.db2.gz VSHOUNKYCDNNFY-UHFFFAOYSA-N 2 1 379.548 3.690 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1C(F)(F)F)C2 ZINC001209284989 1035231036 /nfs/dbraw/zinc/23/10/36/1035231036.db2.gz IOQCKCFPPRLBQL-FPOVZHCZSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](CCc1ccccc1C(F)(F)F)C2 ZINC001209284989 1035231039 /nfs/dbraw/zinc/23/10/39/1035231039.db2.gz IOQCKCFPPRLBQL-FPOVZHCZSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209284989 1035231044 /nfs/dbraw/zinc/23/10/44/1035231044.db2.gz IOQCKCFPPRLBQL-FPOVZHCZSA-N 2 1 396.497 3.928 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](CCc1ccccc1C(F)(F)F)C2 ZINC001209284989 1035231049 /nfs/dbraw/zinc/23/10/49/1035231049.db2.gz IOQCKCFPPRLBQL-FPOVZHCZSA-N 2 1 396.497 3.928 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCCN(C(=O)OC(C)(C)C)C1CCCCC1)C2 ZINC001209310427 1035237613 /nfs/dbraw/zinc/23/76/13/1035237613.db2.gz HPGBXKWDRLNHKC-XMSQKQJNSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CCCCC1)C2 ZINC001209310427 1035237615 /nfs/dbraw/zinc/23/76/15/1035237615.db2.gz HPGBXKWDRLNHKC-XMSQKQJNSA-N 2 1 379.589 3.830 20 0 GHADMP CC[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)NC(=O)OC(C)(C)C ZINC001209468375 1035282274 /nfs/dbraw/zinc/28/22/74/1035282274.db2.gz MAHWRQUUCKNJFX-PMACEKPBSA-N 2 1 375.557 3.744 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209588208 1035319768 /nfs/dbraw/zinc/31/97/68/1035319768.db2.gz QDZGBRMKQWQGOD-TZYHBYERSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001209588208 1035319771 /nfs/dbraw/zinc/31/97/71/1035319771.db2.gz QDZGBRMKQWQGOD-TZYHBYERSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209588208 1035319775 /nfs/dbraw/zinc/31/97/75/1035319775.db2.gz QDZGBRMKQWQGOD-TZYHBYERSA-N 2 1 389.547 3.999 20 0 GHADMP Cc1[nH]c2ncccc2c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001209588208 1035319777 /nfs/dbraw/zinc/31/97/77/1035319777.db2.gz QDZGBRMKQWQGOD-TZYHBYERSA-N 2 1 389.547 3.999 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cnc1OC ZINC001209612896 1035330905 /nfs/dbraw/zinc/33/09/05/1035330905.db2.gz OATFQWLTEHHGOF-HXUWFJFHSA-N 2 1 385.508 3.568 20 0 GHADMP [NH3+]Cc1ccccc1Cc1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001248208455 1035639529 /nfs/dbraw/zinc/63/95/29/1035639529.db2.gz LLHIKPBZGTWAKN-HXUWFJFHSA-N 2 1 389.434 3.657 20 0 GHADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(-c3ccc4c(c3)C[NH2+]C4)c2c1C ZINC001242677378 1035939427 /nfs/dbraw/zinc/93/94/27/1035939427.db2.gz ZCSWEHKAFMODFW-UHFFFAOYSA-N 2 1 396.516 3.508 20 0 GHADMP c1cnn(-c2ccc(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001248771982 1036127274 /nfs/dbraw/zinc/12/72/74/1036127274.db2.gz CNGQMRORKBIICG-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001248771982 1036127283 /nfs/dbraw/zinc/12/72/83/1036127283.db2.gz CNGQMRORKBIICG-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP c1cnn(-c2ccc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc2)n1 ZINC001248771982 1036127295 /nfs/dbraw/zinc/12/72/95/1036127295.db2.gz CNGQMRORKBIICG-XWVZOOPGSA-N 2 1 389.547 3.662 20 0 GHADMP [NH3+][C@@H](CC1CC[NH2+]CC1)c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001248895159 1036225968 /nfs/dbraw/zinc/22/59/68/1036225968.db2.gz ARCUMDIKBMAZPW-ZDUSSCGKSA-N 2 1 385.693 3.542 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(Cl)c(F)cc3F)(C1)CCC2 ZINC001278373835 1036343315 /nfs/dbraw/zinc/34/33/15/1036343315.db2.gz WWEZKGDFQQBBEX-MOPGFXCFSA-N 2 1 388.886 3.763 20 0 GHADMP [NH3+]C1CCN(Cc2cccc(-c3ccc(COC4CC[NH2+]CC4)cc3)c2)CC1 ZINC001245407994 1036911348 /nfs/dbraw/zinc/91/13/48/1036911348.db2.gz NJDPUAHFPDKZSD-UHFFFAOYSA-N 2 1 379.548 3.545 20 0 GHADMP [NH3+]C[C@H]1CC[N@H+](C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246046130 1037159618 /nfs/dbraw/zinc/15/96/18/1037159618.db2.gz QNIPYCINNBLSIE-CWTRNNRKSA-N 2 1 377.315 3.879 20 0 GHADMP [NH3+]C[C@H]1CC[N@@H+](C[C@@H](O)c2cc(Cl)cc3c2-c2ccc(Cl)cc2C3)C1 ZINC001246046130 1037159624 /nfs/dbraw/zinc/15/96/24/1037159624.db2.gz QNIPYCINNBLSIE-CWTRNNRKSA-N 2 1 377.315 3.879 20 0 GHADMP CC(C)c1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001246057088 1037170663 /nfs/dbraw/zinc/17/06/63/1037170663.db2.gz YCMNYKLAKLFSKB-QHCPKHFHSA-N 2 1 382.548 3.804 20 0 GHADMP CC(C)c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1 ZINC001246057088 1037170671 /nfs/dbraw/zinc/17/06/71/1037170671.db2.gz YCMNYKLAKLFSKB-QHCPKHFHSA-N 2 1 382.548 3.804 20 0 GHADMP Cc1cccc(C[N@@H+](C[C@H](O)COc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246063620 1037176390 /nfs/dbraw/zinc/17/63/90/1037176390.db2.gz AIUMRYUWIPEEDX-FKBYEOEOSA-N 2 1 386.511 3.646 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001246068436 1037183366 /nfs/dbraw/zinc/18/33/66/1037183366.db2.gz SBQWYQBKISJBGV-HJOGWXRNSA-N 2 1 382.548 3.726 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H](NC[C@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115182 1037198528 /nfs/dbraw/zinc/19/85/28/1037198528.db2.gz REWVUYCUNZPZCY-ADXHGGABSA-N 2 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]C[C@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115182 1037198546 /nfs/dbraw/zinc/19/85/46/1037198546.db2.gz REWVUYCUNZPZCY-ADXHGGABSA-N 3 1 389.587 3.951 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[C@H]([NH2+]C[C@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246115182 1037198568 /nfs/dbraw/zinc/19/85/68/1037198568.db2.gz REWVUYCUNZPZCY-ADXHGGABSA-N 3 1 389.587 3.951 20 0 GHADMP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246122464 1037200423 /nfs/dbraw/zinc/20/04/23/1037200423.db2.gz QSNYZPAYRKGCNK-TZIWHRDSSA-N 3 1 389.653 3.998 20 0 GHADMP Ic1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246194702 1037231782 /nfs/dbraw/zinc/23/17/82/1037231782.db2.gz SXZKRIDHEJRJAM-QZTJIDSGSA-N 2 1 392.284 3.874 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c2ccccc12 ZINC001246246312 1037252090 /nfs/dbraw/zinc/25/20/90/1037252090.db2.gz SVVKXFZZVYEYIS-NHCICSSKSA-N 2 1 391.515 3.740 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OCc2ccccc2)cc1 ZINC001246252296 1037255050 /nfs/dbraw/zinc/25/50/50/1037255050.db2.gz AKEWFUYEVDZNCZ-UNMCSNQZSA-N 2 1 382.504 3.602 20 0 GHADMP OC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001246255047 1037257258 /nfs/dbraw/zinc/25/72/58/1037257258.db2.gz BJIQABUICQLUNR-UFYCRDLUSA-N 2 1 378.438 3.692 20 0 GHADMP COc1ccc(CC[NH+]2CCC([NH2+]C3CCC4(CCC[NH2+]C4)CC3)CC2)cc1 ZINC001246347002 1037307843 /nfs/dbraw/zinc/30/78/43/1037307843.db2.gz ZTCBSHMJECZSEM-UHFFFAOYSA-N 3 1 385.596 3.604 20 0 GHADMP COc1ccccc1C1(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246375567 1037332105 /nfs/dbraw/zinc/33/21/05/1037332105.db2.gz IMIFEXLYZVRHPV-FPOVZHCZSA-N 2 1 379.548 3.527 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([NH2+]Cc3ccc4nnc(-c5ccccc5)n4c3)CC[NH2+]2)cc1 ZINC001246385945 1037345925 /nfs/dbraw/zinc/34/59/25/1037345925.db2.gz GGUCYEKDUWNOEK-DHIUTWEWSA-N 2 1 397.526 3.849 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CCOCC2)C[NH2+]1 ZINC001246410648 1037365346 /nfs/dbraw/zinc/36/53/46/1037365346.db2.gz ILVZVOTYNDAUTN-YJBOKZPZSA-N 2 1 381.358 3.519 20 0 GHADMP Clc1cccc(CC2(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246428201 1037386419 /nfs/dbraw/zinc/38/64/19/1037386419.db2.gz KSRSKJIBSXLUAP-JOCHJYFZSA-N 2 1 383.967 3.869 20 0 GHADMP Clc1cccc(CC2([NH2+][C@@H]3CCN(Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246428201 1037386447 /nfs/dbraw/zinc/38/64/47/1037386447.db2.gz KSRSKJIBSXLUAP-JOCHJYFZSA-N 2 1 383.967 3.869 20 0 GHADMP C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3Br)CCOCC2)C[NH2+]1 ZINC001246440607 1037402294 /nfs/dbraw/zinc/40/22/94/1037402294.db2.gz IQUBASPSXWTSDS-RDJZCZTQSA-N 2 1 381.358 3.519 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246452187 1037411997 /nfs/dbraw/zinc/41/19/97/1037411997.db2.gz CSLGYIWISFAVQF-GGAORHGYSA-N 2 1 381.539 3.882 20 0 GHADMP FC1(F)C[NH2+]CC[C@@H]1CC[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246483152 1037428119 /nfs/dbraw/zinc/42/81/19/1037428119.db2.gz RXNUVJLDRZOMJJ-CUYAVPTFSA-N 2 1 386.527 3.703 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH2+]CCCC[C@H](N)C(=O)SCc1ccccc1 ZINC001246494197 1037439242 /nfs/dbraw/zinc/43/92/42/1037439242.db2.gz XOOOXNWLHDUJRC-ICSRJNTNSA-N 2 1 379.614 3.654 20 0 GHADMP CCCC[C@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC)c2ccc(Br)cc2)CC[NH2+]1 ZINC001246500914 1037443670 /nfs/dbraw/zinc/44/36/70/1037443670.db2.gz QIJTUUXIDMRSEP-BZSNNMDCSA-N 2 1 397.357 3.954 20 0 GHADMP OC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(Cl)c(Cl)c1 ZINC001246502528 1037444443 /nfs/dbraw/zinc/44/44/43/1037444443.db2.gz XBVCRQVGOHMBPG-HLIPFELVSA-N 2 1 379.331 3.980 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001246600926 1037495995 /nfs/dbraw/zinc/49/59/95/1037495995.db2.gz FGIUAXZRDVZJAA-BPAFIMBUSA-N 2 1 398.469 3.501 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H](C)CSc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC001246609331 1037502184 /nfs/dbraw/zinc/50/21/84/1037502184.db2.gz LMODDGDQCPFPOL-CRAIPNDOSA-N 2 1 396.984 3.828 20 0 GHADMP COc1cc(C[C@@H](C)[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc(OC)c1OC ZINC001246610165 1037502668 /nfs/dbraw/zinc/50/26/68/1037502668.db2.gz PUQJZWPMWUROSJ-WZONZLPQSA-N 2 1 390.568 3.889 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246624295 1037513100 /nfs/dbraw/zinc/51/31/00/1037513100.db2.gz OYRFSDAUAXPTCP-VABKMULXSA-N 3 1 399.623 3.957 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC[NH2+]1 ZINC001246624295 1037513103 /nfs/dbraw/zinc/51/31/03/1037513103.db2.gz OYRFSDAUAXPTCP-VABKMULXSA-N 3 1 399.623 3.957 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC001246624387 1037515124 /nfs/dbraw/zinc/51/51/24/1037515124.db2.gz DSABPUGYFHYJGW-QRQLOZEOSA-N 2 1 381.486 3.656 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4CC[NH2+][C@@H]5C[C@@H]54)C[C@@H]23)cc1 ZINC001246658630 1037531819 /nfs/dbraw/zinc/53/18/19/1037531819.db2.gz CSUQXMAGGBJTDU-NQUGZWMISA-N 2 1 387.571 3.798 20 0 GHADMP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246675100 1037540077 /nfs/dbraw/zinc/54/00/77/1037540077.db2.gz VXPBOUDXBMSHLP-RQTOMXEWSA-N 2 1 392.543 3.990 20 0 GHADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001462194356 1070072609 /nfs/dbraw/zinc/07/26/09/1070072609.db2.gz ZHYWQIKNMNVKIF-FQEVSTJZSA-N 2 1 377.573 3.977 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)C[C@@H](CC)[NH2+]1 ZINC001246707526 1037562011 /nfs/dbraw/zinc/56/20/11/1037562011.db2.gz BHLYSBJAWULHOE-AMEVOLBXSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1C[C@@H]([NH+]2CCC3(CC[NH+](Cc4cccc(OC)c4)CC3)CC2)CC[NH2+]1 ZINC001246713924 1037565011 /nfs/dbraw/zinc/56/50/11/1037565011.db2.gz KXDCVGZUABOTDS-YADHBBJMSA-N 3 1 385.596 3.904 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2CC[NH2+]C(C)(C)C2)CC3)c1 ZINC001246718060 1037569155 /nfs/dbraw/zinc/56/91/55/1037569155.db2.gz YEAYACRBZZFAGO-OAQYLSRUSA-N 3 1 385.596 3.904 20 0 GHADMP CC[C@H]1CC([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)C[C@H](CC)[NH2+]1 ZINC001246716727 1037570979 /nfs/dbraw/zinc/57/09/79/1037570979.db2.gz GQPRRBXGMHDMOP-OALUTQOASA-N 2 1 382.527 3.993 20 0 GHADMP CC[C@@H]1CC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2ccccc2)C3)C[C@@H](CC)[NH2+]1 ZINC001246720448 1037573207 /nfs/dbraw/zinc/57/32/07/1037573207.db2.gz MCUBWRVHJLWUCL-TZBSWOFLSA-N 2 1 397.607 3.853 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725513 1037574552 /nfs/dbraw/zinc/57/45/52/1037574552.db2.gz ZRFUSVAUDMIPLD-SJBKTWHCSA-N 2 1 389.609 3.987 20 0 GHADMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+]([C@H]4CSC5(C[NH2+]C5)C4)CC3)C2)cc1 ZINC001246748728 1037587637 /nfs/dbraw/zinc/58/76/37/1037587637.db2.gz ZVGHQBQLXDOJNM-OAQYLSRUSA-N 3 1 385.621 3.521 20 0 GHADMP O=C1C[C@@]2(CC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CN1c1cccc(F)c1 ZINC001246759174 1037601990 /nfs/dbraw/zinc/60/19/90/1037601990.db2.gz QLWZOHGWXVPKOO-IFMALSPDSA-N 2 1 385.527 3.709 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC3(CC[NH2+]C3)CC1)C2)C1CCCC1 ZINC001246766877 1037610780 /nfs/dbraw/zinc/61/07/80/1037610780.db2.gz LMEIIIKTUAVJPW-NFJGTOLLSA-N 2 1 376.585 3.739 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770504 1037613573 /nfs/dbraw/zinc/61/35/73/1037613573.db2.gz ZBSMKVVIMGIQMO-WJPZDNIKSA-N 2 1 396.623 3.926 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770504 1037613582 /nfs/dbraw/zinc/61/35/82/1037613582.db2.gz ZBSMKVVIMGIQMO-WJPZDNIKSA-N 3 1 396.623 3.926 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770504 1037613591 /nfs/dbraw/zinc/61/35/91/1037613591.db2.gz ZBSMKVVIMGIQMO-WJPZDNIKSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770504 1037613603 /nfs/dbraw/zinc/61/36/03/1037613603.db2.gz ZBSMKVVIMGIQMO-WJPZDNIKSA-N 3 1 396.623 3.926 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C[C@@H]21 ZINC001246770504 1037613613 /nfs/dbraw/zinc/61/36/13/1037613613.db2.gz ZBSMKVVIMGIQMO-WJPZDNIKSA-N 3 1 396.623 3.926 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3CCC4(C3)CC[NH2+]CC4)C2)C1=O ZINC001246779699 1037618888 /nfs/dbraw/zinc/61/88/88/1037618888.db2.gz UNCSNCCTICQFJN-CYFREDJKSA-N 2 1 381.564 3.555 20 0 GHADMP CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3CCC[C@@]4(CC[NH2+]C4)C3)C2)C1=O ZINC001246780596 1037621605 /nfs/dbraw/zinc/62/16/05/1037621605.db2.gz VKFPZLHHCTWYBR-IEXUWNMDSA-N 2 1 381.564 3.555 20 0 GHADMP COC(=O)C1C[C@@H]2CC([N@H+](C)Cc3ccccc3Oc3ccccc3)C[C@H](C1)[NH2+]2 ZINC001246842469 1037668794 /nfs/dbraw/zinc/66/87/94/1037668794.db2.gz GHDVTNWEQALQSZ-JWEZTNTCSA-N 2 1 394.515 3.983 20 0 GHADMP COC(=O)C1C[C@@H]2CC([N@@H+](C)Cc3ccccc3Oc3ccccc3)C[C@H](C1)[NH2+]2 ZINC001246842469 1037668800 /nfs/dbraw/zinc/66/88/00/1037668800.db2.gz GHDVTNWEQALQSZ-JWEZTNTCSA-N 2 1 394.515 3.983 20 0 GHADMP COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246851020 1037677177 /nfs/dbraw/zinc/67/71/77/1037677177.db2.gz AGWVQGNLUCNEBH-QZNHQXDQSA-N 2 1 382.548 3.802 20 0 GHADMP CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246858618 1037679249 /nfs/dbraw/zinc/67/92/49/1037679249.db2.gz LVDDFNLXDIBKMC-SDHOMARFSA-N 2 1 377.576 3.946 20 0 GHADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)ccc2c1 ZINC001246868154 1037686301 /nfs/dbraw/zinc/68/63/01/1037686301.db2.gz ALDXXHNZTJDCPB-FDDCHVKYSA-N 2 1 381.564 3.524 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCN1 ZINC001246909053 1037718564 /nfs/dbraw/zinc/71/85/64/1037718564.db2.gz ZBPGVZHJSGEDDS-HSALFYBXSA-N 2 1 381.486 3.657 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CC1 ZINC001246955264 1037764159 /nfs/dbraw/zinc/76/41/59/1037764159.db2.gz QVNUXEZCVZGFCC-SFHVURJKSA-N 2 1 393.959 3.905 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2Cl)C2CC[NH2+]CC2)CC1 ZINC001246955264 1037764183 /nfs/dbraw/zinc/76/41/83/1037764183.db2.gz QVNUXEZCVZGFCC-SFHVURJKSA-N 2 1 393.959 3.905 20 0 GHADMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)C1 ZINC001246957552 1037772748 /nfs/dbraw/zinc/77/27/48/1037772748.db2.gz BUMQBTXHZIEFJN-UWJYYQICSA-N 2 1 376.516 3.810 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246959950 1037776131 /nfs/dbraw/zinc/77/61/31/1037776131.db2.gz UUTQWOLWWYDBIN-LJQANCHMSA-N 3 1 389.584 3.538 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246959960 1037778808 /nfs/dbraw/zinc/77/88/08/1037778808.db2.gz KHUVXNTZGQSKBS-APWZRJJASA-N 2 1 392.515 3.510 20 0 GHADMP Fc1cc(C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001246966703 1037789867 /nfs/dbraw/zinc/78/98/67/1037789867.db2.gz ZNHLIYGDFZDMGB-MRXNPFEDSA-N 3 1 385.449 3.541 20 0 GHADMP COc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2COc3cccc(OC)c3C2)cc1 ZINC001246966549 1037790548 /nfs/dbraw/zinc/79/05/48/1037790548.db2.gz VTYIFVCQJLSRIM-UFYCRDLUSA-N 2 1 396.531 3.779 20 0 GHADMP O=C1c2cccc(F)c2CN1[C@@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC001246970578 1037795848 /nfs/dbraw/zinc/79/58/48/1037795848.db2.gz OPTGXRNKHFYQJA-GOSISDBHSA-N 2 1 385.527 3.558 20 0 GHADMP CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)C1CCC2(CC[NH2+]CC2)CC1 ZINC001246972608 1037796545 /nfs/dbraw/zinc/79/65/45/1037796545.db2.gz DADNHRAAZBEYJR-HSZRJFAPSA-N 2 1 385.596 3.522 20 0 GHADMP FC(F)(F)c1cc(O[C@H]2CCC[N@@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)ncn1 ZINC001246971841 1037797096 /nfs/dbraw/zinc/79/70/96/1037797096.db2.gz YHNRPKDSSCEPGB-HOTGVXAUSA-N 2 1 398.473 3.794 20 0 GHADMP FC(F)(F)c1cc(O[C@H]2CCC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)ncn1 ZINC001246971841 1037797117 /nfs/dbraw/zinc/79/71/17/1037797117.db2.gz YHNRPKDSSCEPGB-HOTGVXAUSA-N 2 1 398.473 3.794 20 0 GHADMP Fc1cccc2c1nc(-c1cccc(C[NH+]3CCOCC3)c1)n2C1CC[NH2+]CC1 ZINC001247023938 1037843580 /nfs/dbraw/zinc/84/35/80/1037843580.db2.gz JQEZRKQQJLQARO-UHFFFAOYSA-N 2 1 394.494 3.599 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4nccnc34)C[C@H]21 ZINC001232544680 1038311300 /nfs/dbraw/zinc/31/13/00/1038311300.db2.gz BJSAVMGGIGVFHD-ATZDWAIDSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4nccnc34)C[C@H]21 ZINC001232544680 1038311316 /nfs/dbraw/zinc/31/13/16/1038311316.db2.gz BJSAVMGGIGVFHD-ATZDWAIDSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4nccnc34)C[C@H]21 ZINC001232544680 1038311330 /nfs/dbraw/zinc/31/13/30/1038311330.db2.gz BJSAVMGGIGVFHD-ATZDWAIDSA-N 2 1 381.549 3.704 20 0 GHADMP [NH3+]CCCC[C@@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2Br)no1 ZINC001247697007 1038337791 /nfs/dbraw/zinc/33/77/91/1038337791.db2.gz BQFIANRHQACLJQ-LLVKDONJSA-N 2 1 393.207 3.647 20 0 GHADMP Cc1c(Cl)nccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001232748478 1038531914 /nfs/dbraw/zinc/53/19/14/1038531914.db2.gz BXKQZJRTEPWQQV-SFHVURJKSA-N 2 1 389.927 3.892 20 0 GHADMP C[NH+]1CCN(c2cccc(-c3noc([C@H]4CC[N@H+]4C4CCCCC4)n3)c2)CC1 ZINC001248034577 1038548897 /nfs/dbraw/zinc/54/88/97/1038548897.db2.gz QKYBUGALUPFKAB-HXUWFJFHSA-N 2 1 381.524 3.568 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(OC)cc1C ZINC001232833203 1038586981 /nfs/dbraw/zinc/58/69/81/1038586981.db2.gz TWBIMRGYTVZPCQ-UHFFFAOYSA-N 2 1 395.547 3.895 20 0 GHADMP COc1ccc(C[NH+]2CCC(C3CC[NH+](C)CC3)CC2)c(Br)c1O ZINC001233204322 1038967257 /nfs/dbraw/zinc/96/72/57/1038967257.db2.gz FRJYFTAMXLAZQM-UHFFFAOYSA-N 2 1 397.357 3.717 20 0 GHADMP CCOc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cc1Cl ZINC001278669967 1039012609 /nfs/dbraw/zinc/01/26/09/1039012609.db2.gz VRKWWIJQNOGFID-UHFFFAOYSA-N 2 1 379.976 3.588 20 0 GHADMP COc1c(O)cccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001233256352 1039025433 /nfs/dbraw/zinc/02/54/33/1039025433.db2.gz XXRHUGLISACWAU-UHFFFAOYSA-N 2 1 396.531 3.576 20 0 GHADMP COCC[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CCN(C)CC1 ZINC001233338963 1039141864 /nfs/dbraw/zinc/14/18/64/1039141864.db2.gz MCSAJUHAVOVZCL-UHFFFAOYSA-N 2 1 377.529 3.576 20 0 GHADMP COCCN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC001233338963 1039141878 /nfs/dbraw/zinc/14/18/78/1039141878.db2.gz MCSAJUHAVOVZCL-UHFFFAOYSA-N 2 1 377.529 3.576 20 0 GHADMP CC[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001252917196 1039257277 /nfs/dbraw/zinc/25/72/77/1039257277.db2.gz OMEOXIJKDQSUBA-RDPSFJRHSA-N 2 1 382.548 3.585 20 0 GHADMP CC[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001252917196 1039257292 /nfs/dbraw/zinc/25/72/92/1039257292.db2.gz OMEOXIJKDQSUBA-RDPSFJRHSA-N 2 1 382.548 3.585 20 0 GHADMP CC[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001252917196 1039257299 /nfs/dbraw/zinc/25/72/99/1039257299.db2.gz OMEOXIJKDQSUBA-RDPSFJRHSA-N 2 1 382.548 3.585 20 0 GHADMP CC[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001252917196 1039257301 /nfs/dbraw/zinc/25/73/01/1039257301.db2.gz OMEOXIJKDQSUBA-RDPSFJRHSA-N 2 1 382.548 3.585 20 0 GHADMP O[C@]1(C[NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947705 1039290949 /nfs/dbraw/zinc/29/09/49/1039290949.db2.gz CXYLLFJGPZRTFM-ZEQRLZLVSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947705 1039290959 /nfs/dbraw/zinc/29/09/59/1039290959.db2.gz CXYLLFJGPZRTFM-ZEQRLZLVSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@]1(C[NH2+]C/C(=C/F)CCc2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948219 1039291683 /nfs/dbraw/zinc/29/16/83/1039291683.db2.gz KJXUXWKZRJCEKM-YJADQXIJSA-N 2 1 386.486 3.838 20 0 GHADMP O[C@]1(C[NH2+]C/C(=C/F)CCc2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948219 1039291696 /nfs/dbraw/zinc/29/16/96/1039291696.db2.gz KJXUXWKZRJCEKM-YJADQXIJSA-N 2 1 386.486 3.838 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc5nc(Cl)ccc5c4)C[C@@H]3C2)cn1 ZINC001233443346 1039323626 /nfs/dbraw/zinc/32/36/26/1039323626.db2.gz AGPIRKUOHCAJMT-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5nc(Cl)ccc5c4)C[C@@H]3C2)cn1 ZINC001233443346 1039323641 /nfs/dbraw/zinc/32/36/41/1039323641.db2.gz AGPIRKUOHCAJMT-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5nc(Cl)ccc5c4)C[C@@H]3C2)cn1 ZINC001233443346 1039323651 /nfs/dbraw/zinc/32/36/51/1039323651.db2.gz AGPIRKUOHCAJMT-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5nc(Cl)ccc5c4)C[C@@H]3C2)cn1 ZINC001233443346 1039323659 /nfs/dbraw/zinc/32/36/59/1039323659.db2.gz AGPIRKUOHCAJMT-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5nc(Cl)ccc5c4)C[C@@H]3C2)cn1 ZINC001233443346 1039323670 /nfs/dbraw/zinc/32/36/70/1039323670.db2.gz AGPIRKUOHCAJMT-UXHICEINSA-N 2 1 395.938 3.576 20 0 GHADMP CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001253480679 1039661798 /nfs/dbraw/zinc/66/17/98/1039661798.db2.gz NTOYHQUPMXKYHI-SMIHKQSGSA-N 2 1 396.575 3.810 20 0 GHADMP COCC[NH+]1CCC(Oc2ccc3c(c2)[C@@]24CCCC[C@@H]2[C@@H](C3)[N@H+](C)CC4)CC1 ZINC001233942065 1039718175 /nfs/dbraw/zinc/71/81/75/1039718175.db2.gz QHGFAUYIECNYKZ-QLBJFCOMSA-N 2 1 398.591 3.864 20 0 GHADMP O=c1[nH]cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2ccccc21 ZINC001233988602 1039745418 /nfs/dbraw/zinc/74/54/18/1039745418.db2.gz LSSLMHYZVXZYOY-UHFFFAOYSA-N 2 1 388.515 3.824 20 0 GHADMP COc1cccc([C@@H]2CCC[N@H+]2CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001254040148 1039970016 /nfs/dbraw/zinc/97/00/16/1039970016.db2.gz QFHPXKUXQMVGPX-QHCPKHFHSA-N 2 1 380.532 3.859 20 0 GHADMP OC1(C[NH2+]Cc2nccc(Cl)c2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC001254053861 1039977528 /nfs/dbraw/zinc/97/75/28/1039977528.db2.gz ZKAXZABOQGXBDU-UHFFFAOYSA-N 2 1 380.319 3.505 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001254193869 1040041686 /nfs/dbraw/zinc/04/16/86/1040041686.db2.gz PZJRODYBUVCEIM-BJLQDIEVSA-N 2 1 395.588 3.527 20 0 GHADMP C[NH+]1CCC(COC[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3C3CCC(F)(F)CC3)O2)CC1 ZINC001254220634 1040074886 /nfs/dbraw/zinc/07/48/86/1040074886.db2.gz PWPBSWXCONLNLQ-VAMGGRTRSA-N 2 1 386.527 3.545 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519534 1040292997 /nfs/dbraw/zinc/29/29/97/1040292997.db2.gz JOLCHJFLNPNESB-AQNXPRMDSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519534 1040293014 /nfs/dbraw/zinc/29/30/14/1040293014.db2.gz JOLCHJFLNPNESB-AQNXPRMDSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254519534 1040293029 /nfs/dbraw/zinc/29/30/29/1040293029.db2.gz JOLCHJFLNPNESB-AQNXPRMDSA-N 2 1 379.589 3.830 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCN(c3ccc(F)cc3)CC1)[C@@H]2C ZINC001254624811 1040398734 /nfs/dbraw/zinc/39/87/34/1040398734.db2.gz BFDMZOQWVBJMOZ-GOSISDBHSA-N 2 1 399.558 3.908 20 0 GHADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc1)C2 ZINC001234903603 1040419176 /nfs/dbraw/zinc/41/91/76/1040419176.db2.gz KDCLFPMLDMOLSB-SGRGSNTQSA-N 2 1 399.579 3.635 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1cn(C)c3ccccc13)CC2 ZINC001235018536 1040509592 /nfs/dbraw/zinc/50/95/92/1040509592.db2.gz JHJYJBIBBUVJGR-UHFFFAOYSA-N 2 1 375.516 3.824 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1cn(C)c3ccccc13)CC2 ZINC001235018536 1040509608 /nfs/dbraw/zinc/50/96/08/1040509608.db2.gz JHJYJBIBBUVJGR-UHFFFAOYSA-N 2 1 375.516 3.824 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254749545 1040510282 /nfs/dbraw/zinc/51/02/82/1040510282.db2.gz QCGRMPQRJUQNQQ-IBGZPJMESA-N 2 1 379.589 3.974 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC001235019743 1040510504 /nfs/dbraw/zinc/51/05/04/1040510504.db2.gz CFWUSDCUGVKKPQ-XMMPIXPASA-N 2 1 379.548 3.965 20 0 GHADMP Cc1cccc(N(C)c2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)c1 ZINC001235019743 1040510520 /nfs/dbraw/zinc/51/05/20/1040510520.db2.gz CFWUSDCUGVKKPQ-XMMPIXPASA-N 2 1 379.548 3.965 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254751453 1040510677 /nfs/dbraw/zinc/51/06/77/1040510677.db2.gz WWZNCKQKGRZLFN-IBGZPJMESA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254751453 1040510696 /nfs/dbraw/zinc/51/06/96/1040510696.db2.gz WWZNCKQKGRZLFN-IBGZPJMESA-N 2 1 379.589 3.972 20 0 GHADMP c1[nH]c2cccc(OCc3ccccc3)c2c1C[N@H+]1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235036274 1040528755 /nfs/dbraw/zinc/52/87/55/1040528755.db2.gz KKXWKVZUTYVZSB-AUSIDOKSSA-N 2 1 391.515 3.557 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cccc(N5CCOCC5)c4)C3)C2)cc1 ZINC001235083504 1040569597 /nfs/dbraw/zinc/56/95/97/1040569597.db2.gz ZYQYMTKVEUVSBJ-VWLOTQADSA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cccc(N5CCOCC5)c4)C3)C2)cc1 ZINC001235083504 1040569604 /nfs/dbraw/zinc/56/96/04/1040569604.db2.gz ZYQYMTKVEUVSBJ-VWLOTQADSA-N 2 1 391.559 3.621 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cccc(N5CCOCC5)c4)C3)C2)cc1 ZINC001235083504 1040569612 /nfs/dbraw/zinc/56/96/12/1040569612.db2.gz ZYQYMTKVEUVSBJ-VWLOTQADSA-N 2 1 391.559 3.621 20 0 GHADMP CCCOc1ccc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1F ZINC001235106945 1040593397 /nfs/dbraw/zinc/59/33/97/1040593397.db2.gz VYUZZDPDTLOYNM-UHFFFAOYSA-N 2 1 385.321 3.953 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC4(CNc5ccccc54)CC3)ccc2F)CC1 ZINC001235145775 1040640367 /nfs/dbraw/zinc/64/03/67/1040640367.db2.gz ZVEVBGXEFDABKH-UHFFFAOYSA-N 2 1 394.538 3.537 20 0 GHADMP COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001235155551 1040647819 /nfs/dbraw/zinc/64/78/19/1040647819.db2.gz LMEBMEJROYLFDP-MRXNPFEDSA-N 2 1 385.321 3.951 20 0 GHADMP COC(=O)c1ccnc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC001235212175 1040693396 /nfs/dbraw/zinc/69/33/96/1040693396.db2.gz LMHMCRFOOIXMQR-UHFFFAOYSA-N 2 1 393.531 3.746 20 0 GHADMP C[N@H+](CCCc1c(F)cccc1Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462482608 1070291359 /nfs/dbraw/zinc/29/13/59/1070291359.db2.gz WAWVOTQFLALAKD-QFIPXVFZSA-N 2 1 390.930 3.981 20 0 GHADMP C[N@@H+](CCCc1c(F)cccc1Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001462482608 1070291380 /nfs/dbraw/zinc/29/13/80/1070291380.db2.gz WAWVOTQFLALAKD-QFIPXVFZSA-N 2 1 390.930 3.981 20 0 GHADMP C[NH+](CCCc1c(F)cccc1Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001462482608 1070291390 /nfs/dbraw/zinc/29/13/90/1070291390.db2.gz WAWVOTQFLALAKD-QFIPXVFZSA-N 2 1 390.930 3.981 20 0 GHADMP C[NH+](CCCc1c(F)cccc1Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001462482608 1070291408 /nfs/dbraw/zinc/29/14/08/1070291408.db2.gz WAWVOTQFLALAKD-QFIPXVFZSA-N 2 1 390.930 3.981 20 0 GHADMP [NH3+]CCc1cn(C2C[C@@H]3COC[C@H](C2)[N@H+]3Cc2ccccc2)c2cc(F)ccc12 ZINC001254993186 1040714356 /nfs/dbraw/zinc/71/43/56/1040714356.db2.gz LXIHJVVDGMOVHK-FRIKZZABSA-N 2 1 393.506 3.886 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC23CC[NH+](C)CC3)CCCCC1 ZINC001255015903 1040730081 /nfs/dbraw/zinc/73/00/81/1040730081.db2.gz HONXYBCCHRLOHO-UHFFFAOYSA-N 2 1 398.595 3.701 20 0 GHADMP CC(C)([NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1)C(N)=O ZINC001255069005 1040763270 /nfs/dbraw/zinc/76/32/70/1040763270.db2.gz GDINCVXDLWODLK-SGIRGMQISA-N 2 1 391.559 3.605 20 0 GHADMP Fc1c(Br)cc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342536 1040810735 /nfs/dbraw/zinc/81/07/35/1040810735.db2.gz XGKKSDNFLYMIKX-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP Fc1c(Br)cc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342536 1040810759 /nfs/dbraw/zinc/81/07/59/1040810759.db2.gz XGKKSDNFLYMIKX-SECBINFHSA-N 2 1 381.211 3.648 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCCN(c4ccccn4)C2)C3)cc1 ZINC001255131029 1040826493 /nfs/dbraw/zinc/82/64/93/1040826493.db2.gz LUGRYZRRWCNVEA-GPJHCHHRSA-N 2 1 376.548 3.836 20 0 GHADMP COc1cccc(C2(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001255134179 1040833645 /nfs/dbraw/zinc/83/36/45/1040833645.db2.gz YLJCSRCWCVUNME-MZADTFQBSA-N 2 1 377.532 3.907 20 0 GHADMP COc1ccc2c(c1)c(C[NH3+])nn2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137325 1040839355 /nfs/dbraw/zinc/83/93/55/1040839355.db2.gz WPLIMCRECWURCG-REPLKXPHSA-N 2 1 376.504 3.872 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255139326 1040841759 /nfs/dbraw/zinc/84/17/59/1040841759.db2.gz KMDPUQIZOYVHND-IZZGNVEXSA-N 2 1 387.527 3.778 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255139326 1040841770 /nfs/dbraw/zinc/84/17/70/1040841770.db2.gz KMDPUQIZOYVHND-IZZGNVEXSA-N 2 1 387.527 3.778 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255139326 1040841780 /nfs/dbraw/zinc/84/17/80/1040841780.db2.gz KMDPUQIZOYVHND-IZZGNVEXSA-N 2 1 387.527 3.778 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235365618 1040855693 /nfs/dbraw/zinc/85/56/93/1040855693.db2.gz OQHWXJBJTNEOMT-WPWBMXPQSA-N 2 1 392.543 3.847 20 0 GHADMP O=C1CCCCN1C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255145404 1040858167 /nfs/dbraw/zinc/85/81/67/1040858167.db2.gz BGANVWRGWIHVQZ-JKHIJQBDSA-N 2 1 381.564 3.659 20 0 GHADMP CCC(=O)Oc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235366156 1040858968 /nfs/dbraw/zinc/85/89/68/1040858968.db2.gz QGDXRYHLISEKKT-URXFXBBRSA-N 2 1 378.516 3.755 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235367364 1040863410 /nfs/dbraw/zinc/86/34/10/1040863410.db2.gz GGEARHDSUHMMRM-LADGPHEKSA-N 2 1 378.516 3.617 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235370732 1040872425 /nfs/dbraw/zinc/87/24/25/1040872425.db2.gz OZGHOXVBWZUJIQ-ZCYQVOJMSA-N 2 1 394.559 3.855 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c2c1ccnc2Cl ZINC001235374882 1040882409 /nfs/dbraw/zinc/88/24/09/1040882409.db2.gz IHAPQNKWMDHSRP-GCJKJVERSA-N 2 1 380.923 3.806 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c2c1ccnc2Cl ZINC001235374882 1040882420 /nfs/dbraw/zinc/88/24/20/1040882420.db2.gz IHAPQNKWMDHSRP-GCJKJVERSA-N 2 1 380.923 3.806 20 0 GHADMP FC(F)(F)c1cc(Cl)c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c(Cl)c1 ZINC001235379244 1040900371 /nfs/dbraw/zinc/90/03/71/1040900371.db2.gz MPHBAEPZCGFTRG-HWWQOWPSSA-N 2 1 395.252 3.965 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001255197788 1040901992 /nfs/dbraw/zinc/90/19/92/1040901992.db2.gz FNCVHKUSQMVQNW-WARAAXDBSA-N 2 1 377.573 3.900 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001255211897 1040907185 /nfs/dbraw/zinc/90/71/85/1040907185.db2.gz XLFAJKWKNSVMTJ-JTOYRKQZSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001255211897 1040907187 /nfs/dbraw/zinc/90/71/87/1040907187.db2.gz XLFAJKWKNSVMTJ-JTOYRKQZSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001255211897 1040907204 /nfs/dbraw/zinc/90/72/04/1040907204.db2.gz XLFAJKWKNSVMTJ-JTOYRKQZSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)o2)cc1 ZINC001235401136 1040914916 /nfs/dbraw/zinc/91/49/16/1040914916.db2.gz FYVAODVBWQWJAD-IFMALSPDSA-N 2 1 386.467 3.647 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@H]4F)o2)cc1 ZINC001235401136 1040914927 /nfs/dbraw/zinc/91/49/27/1040914927.db2.gz FYVAODVBWQWJAD-IFMALSPDSA-N 2 1 386.467 3.647 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001255240543 1040921669 /nfs/dbraw/zinc/92/16/69/1040921669.db2.gz GHOIEGGVOKNTLE-ACDBMABISA-N 2 1 379.589 3.969 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(Br)c1OC ZINC001235425602 1040927066 /nfs/dbraw/zinc/92/70/66/1040927066.db2.gz MCGNUEBODZAVPX-HOTGVXAUSA-N 2 1 397.357 3.678 20 0 GHADMP CSc1ncc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(NC2CCCC2)n1 ZINC001235427385 1040928574 /nfs/dbraw/zinc/92/85/74/1040928574.db2.gz RFSOOIAUBBNFER-SJORKVTESA-N 2 1 389.613 3.765 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427513 1040928800 /nfs/dbraw/zinc/92/88/00/1040928800.db2.gz MDFYICOBBGPRKK-QZTJIDSGSA-N 2 1 383.536 3.865 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC001235427852 1040929158 /nfs/dbraw/zinc/92/91/58/1040929158.db2.gz UDKCQJLTIYKGGV-LSDHHAIUSA-N 2 1 397.357 3.678 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255256802 1040929484 /nfs/dbraw/zinc/92/94/84/1040929484.db2.gz KBNZZGXXUYNRNR-ZHRYYDEUSA-N 2 1 388.552 3.889 20 0 GHADMP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431197 1040931921 /nfs/dbraw/zinc/93/19/21/1040931921.db2.gz MQBNVSHHCRNTDR-CVEARBPZSA-N 2 1 381.358 3.978 20 0 GHADMP Brc1ccc2c(c1)n[nH]c2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235431127 1040932590 /nfs/dbraw/zinc/93/25/90/1040932590.db2.gz VBKAIGABGSZMKW-KBPBESRZSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235432224 1040933753 /nfs/dbraw/zinc/93/37/53/1040933753.db2.gz RBLNRHFCPUJXJK-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432224 1040933756 /nfs/dbraw/zinc/93/37/56/1040933756.db2.gz RBLNRHFCPUJXJK-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235432224 1040933760 /nfs/dbraw/zinc/93/37/60/1040933760.db2.gz RBLNRHFCPUJXJK-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc(C2CC[NH+](Cc3nc4c(s3)C[NH2+]CC4)CC2)cc1 ZINC001235440099 1040939837 /nfs/dbraw/zinc/93/98/37/1040939837.db2.gz FSPKYJAYWLSKOG-UHFFFAOYSA-N 2 1 392.366 3.931 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)CC3)c1 ZINC001235484670 1040957186 /nfs/dbraw/zinc/95/71/86/1040957186.db2.gz ZJNSSZRSBRNSFG-UHFFFAOYSA-N 2 1 388.490 3.529 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)C1 ZINC001255359413 1040961574 /nfs/dbraw/zinc/96/15/74/1040961574.db2.gz BMBACBPKYUQKBC-RTWAWAEBSA-N 2 1 399.579 3.880 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC001255390373 1040977918 /nfs/dbraw/zinc/97/79/18/1040977918.db2.gz BRRWCBHTTVPHMM-HXUWFJFHSA-N 2 1 384.520 3.857 20 0 GHADMP FC1(F)CC[N@H+](CCC[NH2+]C2CCCCC2)C[C@@]12CCN(c1ccccn1)C2 ZINC001235549935 1040983295 /nfs/dbraw/zinc/98/32/95/1040983295.db2.gz MZOCUHHSYNJMBJ-OAQYLSRUSA-N 2 1 392.538 3.932 20 0 GHADMP FC1(F)CC[N@@H+](CCC[NH2+]C2CCCCC2)C[C@@]12CCN(c1ccccn1)C2 ZINC001235549935 1040983300 /nfs/dbraw/zinc/98/33/00/1040983300.db2.gz MZOCUHHSYNJMBJ-OAQYLSRUSA-N 2 1 392.538 3.932 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001235551295 1040983473 /nfs/dbraw/zinc/98/34/73/1040983473.db2.gz HNXWRRNNNFOYOA-QRQLOZEOSA-N 2 1 399.476 3.715 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001235551295 1040983475 /nfs/dbraw/zinc/98/34/75/1040983475.db2.gz HNXWRRNNNFOYOA-QRQLOZEOSA-N 2 1 399.476 3.715 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557201 1040985274 /nfs/dbraw/zinc/98/52/74/1040985274.db2.gz GEIGSGXQGWZQBZ-QQXMDYFESA-N 2 1 397.579 3.771 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557201 1040985275 /nfs/dbraw/zinc/98/52/75/1040985275.db2.gz GEIGSGXQGWZQBZ-QQXMDYFESA-N 2 1 397.579 3.771 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557201 1040985277 /nfs/dbraw/zinc/98/52/77/1040985277.db2.gz GEIGSGXQGWZQBZ-QQXMDYFESA-N 2 1 397.579 3.771 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)CC2)cc1 ZINC001255400419 1040986033 /nfs/dbraw/zinc/98/60/33/1040986033.db2.gz KEJRDTKQLNEJKN-DSNGMDLFSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)CC2)cc1 ZINC001255400419 1040986038 /nfs/dbraw/zinc/98/60/38/1040986038.db2.gz KEJRDTKQLNEJKN-DSNGMDLFSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CC[C@H]4[C@H]3CCN4Cc3cccnc3)CC2)cc1 ZINC001255400419 1040986040 /nfs/dbraw/zinc/98/60/40/1040986040.db2.gz KEJRDTKQLNEJKN-DSNGMDLFSA-N 2 1 390.575 3.785 20 0 GHADMP C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255404951 1040991637 /nfs/dbraw/zinc/99/16/37/1040991637.db2.gz LTAOQHHIICZPOL-RTWAWAEBSA-N 2 1 387.568 3.982 20 0 GHADMP C[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404951 1040991639 /nfs/dbraw/zinc/99/16/39/1040991639.db2.gz LTAOQHHIICZPOL-RTWAWAEBSA-N 2 1 387.568 3.982 20 0 GHADMP C[NH+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404951 1040991640 /nfs/dbraw/zinc/99/16/40/1040991640.db2.gz LTAOQHHIICZPOL-RTWAWAEBSA-N 2 1 387.568 3.982 20 0 GHADMP O=C1[C@H]2C[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccccc1 ZINC001255404240 1040992271 /nfs/dbraw/zinc/99/22/71/1040992271.db2.gz UTALJFZEGSLKBQ-ZDXQCDESSA-N 2 1 389.543 3.636 20 0 GHADMP O=C1[C@H]2C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccccc1 ZINC001255404240 1040992280 /nfs/dbraw/zinc/99/22/80/1040992280.db2.gz UTALJFZEGSLKBQ-ZDXQCDESSA-N 2 1 389.543 3.636 20 0 GHADMP O=C1[C@H]2C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C[C@H]2CN1c1ccccc1 ZINC001255404240 1040992283 /nfs/dbraw/zinc/99/22/83/1040992283.db2.gz UTALJFZEGSLKBQ-ZDXQCDESSA-N 2 1 389.543 3.636 20 0 GHADMP O=C1OC2(CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)c2cccnc21 ZINC001255408464 1040994921 /nfs/dbraw/zinc/99/49/21/1040994921.db2.gz MUEJHYLVFVEUPY-HXUWFJFHSA-N 2 1 391.515 3.598 20 0 GHADMP C[N@@H+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CCC[NH+](Cc2ccccc2)CC1 ZINC001255409610 1040997959 /nfs/dbraw/zinc/99/79/59/1040997959.db2.gz IXKRIVBNNPVIHU-CZYKHXBRSA-N 2 1 399.579 3.838 20 0 GHADMP C[NH+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255409610 1040997967 /nfs/dbraw/zinc/99/79/67/1040997967.db2.gz IXKRIVBNNPVIHU-CZYKHXBRSA-N 2 1 399.579 3.838 20 0 GHADMP C[NH+]([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255409610 1040997976 /nfs/dbraw/zinc/99/79/76/1040997976.db2.gz IXKRIVBNNPVIHU-CZYKHXBRSA-N 2 1 399.579 3.838 20 0 GHADMP Cc1cnc(OC2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255410387 1041000847 /nfs/dbraw/zinc/00/08/47/1041000847.db2.gz WCLLUCDGIWWWNK-OAQYLSRUSA-N 2 1 380.536 3.683 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255410526 1041004381 /nfs/dbraw/zinc/00/43/81/1041004381.db2.gz YNNMRAUGKKKXLI-QFIPXVFZSA-N 2 1 383.580 3.764 20 0 GHADMP Cn1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c2ccccc21 ZINC001235647204 1041086141 /nfs/dbraw/zinc/08/61/41/1041086141.db2.gz XYQHKPBGYJRYJS-UHFFFAOYSA-N 2 1 377.536 3.813 20 0 GHADMP Cn1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c2ccccc21 ZINC001235647204 1041086159 /nfs/dbraw/zinc/08/61/59/1041086159.db2.gz XYQHKPBGYJRYJS-UHFFFAOYSA-N 2 1 377.536 3.813 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664118 1041118284 /nfs/dbraw/zinc/11/82/84/1041118284.db2.gz YOPLPXADZCKRFT-STZQEDGTSA-N 2 1 396.604 3.521 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664118 1041118294 /nfs/dbraw/zinc/11/82/94/1041118294.db2.gz YOPLPXADZCKRFT-STZQEDGTSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664118 1041118305 /nfs/dbraw/zinc/11/83/05/1041118305.db2.gz YOPLPXADZCKRFT-STZQEDGTSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664118 1041118314 /nfs/dbraw/zinc/11/83/14/1041118314.db2.gz YOPLPXADZCKRFT-STZQEDGTSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664118 1041118327 /nfs/dbraw/zinc/11/83/27/1041118327.db2.gz YOPLPXADZCKRFT-STZQEDGTSA-N 3 1 396.604 3.521 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)CCO1 ZINC001255542477 1041119301 /nfs/dbraw/zinc/11/93/01/1041119301.db2.gz HMPNLNSSFXYCRK-QUCCMNQESA-N 2 1 379.495 3.572 20 0 GHADMP CC1(C)C[C@H](N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542477 1041119313 /nfs/dbraw/zinc/11/93/13/1041119313.db2.gz HMPNLNSSFXYCRK-QUCCMNQESA-N 2 1 379.495 3.572 20 0 GHADMP CC1(C)C[C@H](N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001255542477 1041119325 /nfs/dbraw/zinc/11/93/25/1041119325.db2.gz HMPNLNSSFXYCRK-QUCCMNQESA-N 2 1 379.495 3.572 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+]([C@H]1CCOC(C)(C)C1)CC2 ZINC001255543579 1041121675 /nfs/dbraw/zinc/12/16/75/1041121675.db2.gz HBOPAOAWUAPJAI-ZWKOTPCHSA-N 2 1 378.582 3.761 20 0 GHADMP Brc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)nc1 ZINC001462518518 1070321986 /nfs/dbraw/zinc/32/19/86/1070321986.db2.gz WAETWUZRFFHATG-VDGAXYAQSA-N 2 1 386.337 3.987 20 0 GHADMP Brc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)nc1 ZINC001462518518 1070322001 /nfs/dbraw/zinc/32/20/01/1070322001.db2.gz WAETWUZRFFHATG-VDGAXYAQSA-N 2 1 386.337 3.987 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235679671 1041140857 /nfs/dbraw/zinc/14/08/57/1041140857.db2.gz PWFKALYTRLKDOR-IBGZPJMESA-N 3 1 376.614 3.759 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001235679671 1041140862 /nfs/dbraw/zinc/14/08/62/1041140862.db2.gz PWFKALYTRLKDOR-IBGZPJMESA-N 3 1 376.614 3.759 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255596696 1041156170 /nfs/dbraw/zinc/15/61/70/1041156170.db2.gz VLLSMWOLHKBPGI-VAMGGRTRSA-N 2 1 391.531 3.907 20 0 GHADMP CC[N@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C1CC[NH2+]CC1 ZINC001235762363 1041251910 /nfs/dbraw/zinc/25/19/10/1041251910.db2.gz SLNFIMZPTSGEPN-UHFFFAOYSA-N 2 1 382.504 3.626 20 0 GHADMP CC[N@@H+](Cc1ccccc1OCc1ccc(C(=O)OC)cc1)C1CC[NH2+]CC1 ZINC001235762363 1041251926 /nfs/dbraw/zinc/25/19/26/1041251926.db2.gz SLNFIMZPTSGEPN-UHFFFAOYSA-N 2 1 382.504 3.626 20 0 GHADMP COc1nccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1Cl ZINC001235833665 1041359078 /nfs/dbraw/zinc/35/90/78/1041359078.db2.gz PGSACFJGSSKZEA-UHFFFAOYSA-N 2 1 375.900 3.825 20 0 GHADMP FC1(C[N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)CC[NH2+]CC1 ZINC001235885838 1041411376 /nfs/dbraw/zinc/41/13/76/1041411376.db2.gz ZYLKAHAXANRNBL-UHFFFAOYSA-N 2 1 382.936 3.554 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(F)c(OCC2CCOCC2)c(F)c1 ZINC001255953469 1041433770 /nfs/dbraw/zinc/43/37/70/1041433770.db2.gz KNMREZIIEMGMRV-INIZCTEOSA-N 2 1 384.511 3.980 20 0 GHADMP Cc1ccc(-c2noc(C3CC[NH+](C[C@H]4[C@@H](C)C[NH2+]CC4(F)F)CC3)n2)cc1 ZINC001235934817 1041438039 /nfs/dbraw/zinc/43/80/39/1041438039.db2.gz NWIKGFKBXOCQSZ-YJBOKZPZSA-N 2 1 390.478 3.715 20 0 GHADMP COCCC[N@@H+](Cc1cc2cc(Br)ccc2[nH]1)C1CC[NH2+]CC1 ZINC001235936993 1041441092 /nfs/dbraw/zinc/44/10/92/1041441092.db2.gz IZLJCOIIGZPPNQ-UHFFFAOYSA-N 2 1 380.330 3.521 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001255961904 1041441508 /nfs/dbraw/zinc/44/15/08/1041441508.db2.gz YMPCGNKLBRQFSP-RXVVDRJESA-N 2 1 377.598 3.797 20 0 GHADMP CCOC(OCC)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)cc1 ZINC001236010403 1041501345 /nfs/dbraw/zinc/50/13/45/1041501345.db2.gz KTXMFIOUMGRLHE-VWNXMTODSA-N 2 1 380.532 3.731 20 0 GHADMP CCOC(=O)[C@]12C[N@@H+](Cc3sc4scc(C)c4c3C)C[C@H]1C[NH2+]CC2 ZINC001236040881 1041512394 /nfs/dbraw/zinc/51/23/94/1041512394.db2.gz PPYCTFDUAVFLCA-AUUYWEPGSA-N 2 1 378.563 3.554 20 0 GHADMP COC(=O)[C@@H]([NH3+])C1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC001236067767 1041520448 /nfs/dbraw/zinc/52/04/48/1041520448.db2.gz WCNPNVRKYKAAFN-IBGZPJMESA-N 2 1 390.568 3.700 20 0 GHADMP FC(F)(F)c1ccc2c(c1)CC[N@H+](Cc1ccccc1N1CC[NH2+]CC1)C2 ZINC001236086792 1041527665 /nfs/dbraw/zinc/52/76/65/1041527665.db2.gz UPFSHLLCUYPLLB-UHFFFAOYSA-N 2 1 375.438 3.673 20 0 GHADMP COc1cccc(C[C@@H](C)[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001256162531 1041600404 /nfs/dbraw/zinc/60/04/04/1041600404.db2.gz BATCCVCYWFAXNE-OAQYLSRUSA-N 2 1 394.559 3.993 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+](C)[C@H]3CCCC[C@H]3[NH3+])c2n1 ZINC001236215313 1041625877 /nfs/dbraw/zinc/62/58/77/1041625877.db2.gz GQELMPLYTLDOLR-CVEARBPZSA-N 2 1 378.314 3.708 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)[C@H]3CCCC[C@H]3[NH3+])c2n1 ZINC001236215313 1041625883 /nfs/dbraw/zinc/62/58/83/1041625883.db2.gz GQELMPLYTLDOLR-CVEARBPZSA-N 2 1 378.314 3.708 20 0 GHADMP C[NH+]1CCC([NH2+]C2(c3ccc(F)cc3)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001256198389 1041643769 /nfs/dbraw/zinc/64/37/69/1041643769.db2.gz LQSZLIGQIORRJR-UHFFFAOYSA-N 2 1 391.531 3.736 20 0 GHADMP C[NH+]1CCC([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001256204497 1041647030 /nfs/dbraw/zinc/64/70/30/1041647030.db2.gz HWSSWYLGRHJVDY-JTHBVZDNSA-N 2 1 395.572 3.665 20 0 GHADMP C[NH+]1CCC([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)CC1 ZINC001256204497 1041647039 /nfs/dbraw/zinc/64/70/39/1041647039.db2.gz HWSSWYLGRHJVDY-JTHBVZDNSA-N 2 1 395.572 3.665 20 0 GHADMP FC(F)(F)c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236321325 1041669809 /nfs/dbraw/zinc/66/98/09/1041669809.db2.gz ILHTVGRJNADMKR-BETUJISGSA-N 2 1 377.248 3.899 20 0 GHADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(N2CCCCC2)c1 ZINC001236320200 1041670095 /nfs/dbraw/zinc/67/00/95/1041670095.db2.gz LVOXQVUBDYDUAX-CALCHBBNSA-N 2 1 392.385 3.871 20 0 GHADMP Clc1nc2[nH]cc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)c2c(Cl)n1 ZINC001236375914 1041687316 /nfs/dbraw/zinc/68/73/16/1041687316.db2.gz OAOHCVUUQDJFAJ-GFCCVEGCSA-N 2 1 382.339 3.961 20 0 GHADMP COc1cc(Cl)ncc1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236380113 1041690684 /nfs/dbraw/zinc/69/06/84/1041690684.db2.gz FIOJNZXMVYMKBO-UHFFFAOYSA-N 2 1 377.891 3.885 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cc(F)cc3c2OCOC3)CC2CC[NH2+]CC2)cc1 ZINC001236382100 1041691376 /nfs/dbraw/zinc/69/13/76/1041691376.db2.gz NYMIAHGSPYSAMH-UHFFFAOYSA-N 2 1 388.458 3.833 20 0 GHADMP c1ccc(C2(C[N@@H+](CCCN3CCOCC3)CC3CC[NH2+]CC3)CCCC2)cc1 ZINC001236385519 1041693780 /nfs/dbraw/zinc/69/37/80/1041693780.db2.gz DEUPVIDRDXGNEP-UHFFFAOYSA-N 2 1 399.623 3.522 20 0 GHADMP COC(=O)c1ccc2c(C[N@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)c[nH]c2c1 ZINC001236404733 1041702625 /nfs/dbraw/zinc/70/26/25/1041702625.db2.gz SRBUVUSMZNHVDA-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1ccc2c(C[N@@H+](Cc3cccc(F)c3)C3CC[NH2+]CC3)c[nH]c2c1 ZINC001236404733 1041702630 /nfs/dbraw/zinc/70/26/30/1041702630.db2.gz SRBUVUSMZNHVDA-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP CC[N@H+](Cc1cc(Br)c(C)c(Br)c1)C[C@H]1CC[NH2+]C1 ZINC001236411669 1041705501 /nfs/dbraw/zinc/70/55/01/1041705501.db2.gz NXIZGXCRCSTPTK-LBPRGKRZSA-N 2 1 390.163 3.951 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001236441851 1041713719 /nfs/dbraw/zinc/71/37/19/1041713719.db2.gz WEBIKEAWQPYEJH-LEWJYISDSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001236441851 1041713726 /nfs/dbraw/zinc/71/37/26/1041713726.db2.gz WEBIKEAWQPYEJH-LEWJYISDSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001236441851 1041713732 /nfs/dbraw/zinc/71/37/32/1041713732.db2.gz WEBIKEAWQPYEJH-LEWJYISDSA-N 2 1 396.604 3.625 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3c(c2)NCCC3)C2CC[NH2+]CC2)c1 ZINC001236468229 1041729047 /nfs/dbraw/zinc/72/90/47/1041729047.db2.gz VSXGAXVBJMCFAD-UHFFFAOYSA-N 2 1 393.531 3.586 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3c(c2)NCCC3)C2CC[NH2+]CC2)c1 ZINC001236468229 1041729051 /nfs/dbraw/zinc/72/90/51/1041729051.db2.gz VSXGAXVBJMCFAD-UHFFFAOYSA-N 2 1 393.531 3.586 20 0 GHADMP [NH3+]CCCCCC[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001236491029 1041738393 /nfs/dbraw/zinc/73/83/93/1041738393.db2.gz NUIJCPSSYMGWGU-UHFFFAOYSA-N 3 1 375.454 3.918 20 0 GHADMP [NH3+]CCCCCCN(Cc1ccc(C(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC001236491029 1041738398 /nfs/dbraw/zinc/73/83/98/1041738398.db2.gz NUIJCPSSYMGWGU-UHFFFAOYSA-N 2 1 375.454 3.918 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc1 ZINC001236510741 1041746319 /nfs/dbraw/zinc/74/63/19/1041746319.db2.gz DKKXHKLVTHMCOG-UHFFFAOYSA-N 2 1 398.522 3.994 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc1 ZINC001236510741 1041746325 /nfs/dbraw/zinc/74/63/25/1041746325.db2.gz DKKXHKLVTHMCOG-UHFFFAOYSA-N 2 1 398.522 3.994 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(-n3ccnc3)cc2)C2CC[NH2+]CC2)cc1F ZINC001236517801 1041750708 /nfs/dbraw/zinc/75/07/08/1041750708.db2.gz XPMZYUJZHVNZFT-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C2CC[NH2+]CC2)cc1F ZINC001236517801 1041750709 /nfs/dbraw/zinc/75/07/09/1041750709.db2.gz XPMZYUJZHVNZFT-UHFFFAOYSA-N 2 1 394.494 3.774 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(I)o2)CC2CCC2)CC1 ZINC001236542512 1041756420 /nfs/dbraw/zinc/75/64/20/1041756420.db2.gz RRVHMPHUSBGTDF-HDJSIYSDSA-N 2 1 388.293 3.756 20 0 GHADMP COc1ccc(C[N@@H+](Cc2cnc3ccc(C)cn23)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544214 1041757570 /nfs/dbraw/zinc/75/75/70/1041757570.db2.gz GZDXQZCKBSHXHR-MXVIHJGJSA-N 2 1 378.520 3.923 20 0 GHADMP COc1ccc(Cn2cc(C[N@@H+](CC3CCC3)[C@H]3CC[C@H]([NH3+])CC3)cn2)cc1 ZINC001236543360 1041757675 /nfs/dbraw/zinc/75/76/75/1041757675.db2.gz QLLBKCAEMRTBOG-HZCBDIJESA-N 2 1 382.552 3.812 20 0 GHADMP CC[N@@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1 ZINC001236559508 1041762602 /nfs/dbraw/zinc/76/26/02/1041762602.db2.gz JQULNIAXQFVQQO-QHCPKHFHSA-N 2 1 392.547 3.683 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc1 ZINC001236559508 1041762609 /nfs/dbraw/zinc/76/26/09/1041762609.db2.gz JQULNIAXQFVQQO-QHCPKHFHSA-N 2 1 392.547 3.683 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001236565424 1041765206 /nfs/dbraw/zinc/76/52/06/1041765206.db2.gz DSYYCZGMJOJIDS-AFARHQOCSA-N 3 1 384.612 3.843 20 0 GHADMP CN1CCN(c2cccc(C[N@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001236565424 1041765208 /nfs/dbraw/zinc/76/52/08/1041765208.db2.gz DSYYCZGMJOJIDS-AFARHQOCSA-N 2 1 384.612 3.843 20 0 GHADMP CN1CCN(c2cccc(C[N@@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC001236565424 1041765212 /nfs/dbraw/zinc/76/52/12/1041765212.db2.gz DSYYCZGMJOJIDS-AFARHQOCSA-N 2 1 384.612 3.843 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc(I)c[nH]2)C2CCCC2)CC1 ZINC001236570746 1041765766 /nfs/dbraw/zinc/76/57/66/1041765766.db2.gz ALLVLAWEKIFFJT-SAZUREKKSA-N 2 1 387.309 3.634 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(c(Br)c2)OCO3)C2CCC2)CC1 ZINC001236572554 1041766589 /nfs/dbraw/zinc/76/65/89/1041766589.db2.gz RRBCZVYIENETBC-CTYIDZIISA-N 2 1 381.314 3.802 20 0 GHADMP CCOc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc(Br)c1O ZINC001236599006 1041773557 /nfs/dbraw/zinc/77/35/57/1041773557.db2.gz NZEACALRHGMBLR-ZDUSSCGKSA-N 2 1 383.330 3.517 20 0 GHADMP CCOc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)cc(Br)c1O ZINC001236599006 1041773560 /nfs/dbraw/zinc/77/35/60/1041773560.db2.gz NZEACALRHGMBLR-ZDUSSCGKSA-N 2 1 383.330 3.517 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)c(OCc2ccccc2)c1 ZINC001236623885 1041789651 /nfs/dbraw/zinc/78/96/51/1041789651.db2.gz VJIXZSAUCLZDQB-QHCPKHFHSA-N 2 1 379.548 3.571 20 0 GHADMP CCOC(=O)c1cccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001236653602 1041805147 /nfs/dbraw/zinc/80/51/47/1041805147.db2.gz ZVULQVAIOFKLFG-UHFFFAOYSA-N 2 1 381.520 3.602 20 0 GHADMP Nc1cc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)cn1 ZINC001236694760 1041836696 /nfs/dbraw/zinc/83/66/96/1041836696.db2.gz PWILMDLHJLRRPS-QAQDUYKDSA-N 2 1 389.341 3.698 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1c[nH]c2ncnc(Cl)c12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710033 1041847194 /nfs/dbraw/zinc/84/71/94/1041847194.db2.gz KQWBGMDOGYMKDU-QAQDUYKDSA-N 2 1 399.926 3.844 20 0 GHADMP CCOC(=O)c1ccc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)nc1 ZINC001236727360 1041859794 /nfs/dbraw/zinc/85/97/94/1041859794.db2.gz XSUACZCABBBWQZ-AQYVVDRMSA-N 2 1 381.520 3.839 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001236742022 1041869015 /nfs/dbraw/zinc/86/90/15/1041869015.db2.gz LSAXLFZABRUJMQ-YHBQERECSA-N 3 1 396.554 3.507 20 0 GHADMP CCC(CC)[N@@H+](Cc1c[nH]c2ncc(Br)nc12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236797888 1041901620 /nfs/dbraw/zinc/90/16/20/1041901620.db2.gz IQJOZVTYZGZHNC-CTYIDZIISA-N 2 1 394.361 3.981 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(N3CC[NH+](C)CC3)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC001236890295 1041941942 /nfs/dbraw/zinc/94/19/42/1041941942.db2.gz NLPYCCBOMIWYGU-NBGIEHNGSA-N 2 1 393.575 3.944 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCN(Cc2cccc(N3CC[NH+](C)CC3)c2)CC1 ZINC001236898689 1041945286 /nfs/dbraw/zinc/94/52/86/1041945286.db2.gz NPXOKOJBOZJQHW-UHFFFAOYSA-N 2 1 392.591 3.535 20 0 GHADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@H]2C1 ZINC001236982224 1041977250 /nfs/dbraw/zinc/97/72/50/1041977250.db2.gz SMNROPPQDPZJBY-CALCHBBNSA-N 2 1 377.410 3.641 20 0 GHADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@@H]2C1 ZINC001236982224 1041977252 /nfs/dbraw/zinc/97/72/52/1041977252.db2.gz SMNROPPQDPZJBY-CALCHBBNSA-N 2 1 377.410 3.641 20 0 GHADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@@H]2C1 ZINC001236982224 1041977256 /nfs/dbraw/zinc/97/72/56/1041977256.db2.gz SMNROPPQDPZJBY-CALCHBBNSA-N 2 1 377.410 3.641 20 0 GHADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@@H]2C1 ZINC001236982224 1041977257 /nfs/dbraw/zinc/97/72/57/1041977257.db2.gz SMNROPPQDPZJBY-CALCHBBNSA-N 2 1 377.410 3.641 20 0 GHADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)C[C@@H]2C1 ZINC001236982224 1041977260 /nfs/dbraw/zinc/97/72/60/1041977260.db2.gz SMNROPPQDPZJBY-CALCHBBNSA-N 2 1 377.410 3.641 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(I)ccc1Cl ZINC001237078547 1042024364 /nfs/dbraw/zinc/02/43/64/1042024364.db2.gz IBDDRPZQFBKQDU-FTNCPSPGSA-N 2 1 390.696 3.646 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(I)ccc1Cl ZINC001237078547 1042024370 /nfs/dbraw/zinc/02/43/70/1042024370.db2.gz IBDDRPZQFBKQDU-FTNCPSPGSA-N 2 1 390.696 3.646 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5nccc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001237266063 1042114218 /nfs/dbraw/zinc/11/42/18/1042114218.db2.gz XEAGQOOXTSACBE-RTBURBONSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5nccc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001237266063 1042114221 /nfs/dbraw/zinc/11/42/21/1042114221.db2.gz XEAGQOOXTSACBE-RTBURBONSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5nccc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001237266063 1042114222 /nfs/dbraw/zinc/11/42/22/1042114222.db2.gz XEAGQOOXTSACBE-RTBURBONSA-N 2 1 395.938 3.576 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5nccc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001237266063 1042114223 /nfs/dbraw/zinc/11/42/23/1042114223.db2.gz XEAGQOOXTSACBE-RTBURBONSA-N 2 1 395.938 3.576 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1cc(Br)ccc1Br)CC2 ZINC001237357368 1042167290 /nfs/dbraw/zinc/16/72/90/1042167290.db2.gz STJJEVIITIMXHJ-CQSZACIVSA-N 2 1 388.147 3.915 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1scc(Br)c1Br)CC2 ZINC001237359902 1042169042 /nfs/dbraw/zinc/16/90/42/1042169042.db2.gz RVVVVVKXCBBAEC-LLVKDONJSA-N 2 1 394.176 3.976 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237395177 1042188455 /nfs/dbraw/zinc/18/84/55/1042188455.db2.gz XKNMBCLJYHPZEW-GXTWGEPZSA-N 2 1 384.471 3.741 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)s1 ZINC001237395177 1042188459 /nfs/dbraw/zinc/18/84/59/1042188459.db2.gz XKNMBCLJYHPZEW-GXTWGEPZSA-N 2 1 384.471 3.741 20 0 GHADMP COC(=O)Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001237483934 1042228891 /nfs/dbraw/zinc/22/88/91/1042228891.db2.gz WFAMLUSQOFDBJT-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001237483934 1042228894 /nfs/dbraw/zinc/22/88/94/1042228894.db2.gz WFAMLUSQOFDBJT-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001237483934 1042228899 /nfs/dbraw/zinc/22/88/99/1042228899.db2.gz WFAMLUSQOFDBJT-RPWUZVMVSA-N 2 1 392.543 3.746 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cc(OC)n1 ZINC001237556216 1042262043 /nfs/dbraw/zinc/26/20/43/1042262043.db2.gz TYQSXYYKMGTLLN-UHFFFAOYSA-N 2 1 387.549 3.648 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc4nccc(C)c34)CC2)C1 ZINC001237625138 1042292353 /nfs/dbraw/zinc/29/23/53/1042292353.db2.gz DXUNMXUYMQFQON-FQEVSTJZSA-N 2 1 395.547 3.783 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc4nccc(C)c34)CC2)C1 ZINC001237625138 1042292363 /nfs/dbraw/zinc/29/23/63/1042292363.db2.gz DXUNMXUYMQFQON-FQEVSTJZSA-N 2 1 395.547 3.783 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCC[C@H](OCC(=O)NC(C)(C)C)C3)cc21 ZINC001237886685 1042410236 /nfs/dbraw/zinc/41/02/36/1042410236.db2.gz PUZCYWLDRGEXDP-FQEVSTJZSA-N 2 1 399.579 3.584 20 0 GHADMP CCOc1cccc(N2CC[NH+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)CC2)n1 ZINC001237888016 1042410893 /nfs/dbraw/zinc/41/08/93/1042410893.db2.gz YQKWEBICLYWBLD-UHFFFAOYSA-N 2 1 392.547 3.804 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cncc(C3CC3)c1)CC2 ZINC001238185921 1042513119 /nfs/dbraw/zinc/51/31/19/1042513119.db2.gz VEBTZGOFDASJMG-NRFANRHFSA-N 2 1 381.520 3.808 20 0 GHADMP CC(C)Oc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001238465272 1042605836 /nfs/dbraw/zinc/60/58/36/1042605836.db2.gz JPWJZQUFDXXWFC-UHFFFAOYSA-N 2 1 380.536 3.752 20 0 GHADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001238557039 1042639236 /nfs/dbraw/zinc/63/92/36/1042639236.db2.gz OGQCPOWZZNGWHI-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001238557039 1042639238 /nfs/dbraw/zinc/63/92/38/1042639238.db2.gz OGQCPOWZZNGWHI-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001238557039 1042639242 /nfs/dbraw/zinc/63/92/42/1042639242.db2.gz OGQCPOWZZNGWHI-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP C[NH+](C)Cc1c[nH]c2nccc(-c3ccc(C4([NH+]5CCOCC5)CC4)cc3)c12 ZINC001240861438 1042960139 /nfs/dbraw/zinc/96/01/39/1042960139.db2.gz ULLRWFVWTRNQPV-UHFFFAOYSA-N 2 1 376.504 3.564 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001291540782 1043332348 /nfs/dbraw/zinc/33/23/48/1043332348.db2.gz VVRHGZIOMFXKKA-UXHICEINSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]1 ZINC001256482590 1043416671 /nfs/dbraw/zinc/41/66/71/1043416671.db2.gz DJHGNPNTHQFKMM-IEBWSBKVSA-N 2 1 388.556 3.736 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525459 1043453350 /nfs/dbraw/zinc/45/33/50/1043453350.db2.gz ZVINCHNBCIZHQC-JYAXBFRTSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256525459 1043453358 /nfs/dbraw/zinc/45/33/58/1043453358.db2.gz ZVINCHNBCIZHQC-JYAXBFRTSA-N 2 1 387.568 3.885 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001256527958 1043455583 /nfs/dbraw/zinc/45/55/83/1043455583.db2.gz BRQQUCOUPWTDHU-WWPVKYPJSA-N 2 1 380.532 3.976 20 0 GHADMP CCOC(=O)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC001256527958 1043455592 /nfs/dbraw/zinc/45/55/92/1043455592.db2.gz BRQQUCOUPWTDHU-WWPVKYPJSA-N 2 1 380.532 3.976 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530931 1043463794 /nfs/dbraw/zinc/46/37/94/1043463794.db2.gz QIBQGROOJSHTSQ-NZQKXSOJSA-N 2 1 378.564 3.941 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CC2CCN(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530931 1043463809 /nfs/dbraw/zinc/46/38/09/1043463809.db2.gz QIBQGROOJSHTSQ-NZQKXSOJSA-N 2 1 378.564 3.941 20 0 GHADMP COc1ccc(CC[N@H+](C[C@H](C)O)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256535720 1043477451 /nfs/dbraw/zinc/47/74/51/1043477451.db2.gz CHPADGQUORVULT-ZFGGDYGUSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[N@@H+](C[C@H](C)O)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256535720 1043477467 /nfs/dbraw/zinc/47/74/67/1043477467.db2.gz CHPADGQUORVULT-ZFGGDYGUSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256535720 1043477493 /nfs/dbraw/zinc/47/74/93/1043477493.db2.gz CHPADGQUORVULT-ZFGGDYGUSA-N 2 1 396.575 3.974 20 0 GHADMP COc1ccc(CC[NH+](C[C@H](C)O)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001256535720 1043477512 /nfs/dbraw/zinc/47/75/12/1043477512.db2.gz CHPADGQUORVULT-ZFGGDYGUSA-N 2 1 396.575 3.974 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001256536121 1043481257 /nfs/dbraw/zinc/48/12/57/1043481257.db2.gz FJHAYQPYGDJMOX-YKSBVNFPSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256536121 1043481277 /nfs/dbraw/zinc/48/12/77/1043481277.db2.gz FJHAYQPYGDJMOX-YKSBVNFPSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256541205 1043491252 /nfs/dbraw/zinc/49/12/52/1043491252.db2.gz IBNKTVNNOARTTK-NZQKXSOJSA-N 2 1 395.591 3.907 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256541205 1043491267 /nfs/dbraw/zinc/49/12/67/1043491267.db2.gz IBNKTVNNOARTTK-NZQKXSOJSA-N 2 1 395.591 3.907 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CO2 ZINC001256540764 1043491283 /nfs/dbraw/zinc/49/12/83/1043491283.db2.gz ZKHQNPQLKNORAS-CZTZKLFOSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CO2 ZINC001256540764 1043491290 /nfs/dbraw/zinc/49/12/90/1043491290.db2.gz ZKHQNPQLKNORAS-CZTZKLFOSA-N 2 1 380.532 3.889 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256545252 1043504913 /nfs/dbraw/zinc/50/49/13/1043504913.db2.gz RPPOYBZBHXTESA-WVCANSMHSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256545252 1043504924 /nfs/dbraw/zinc/50/49/24/1043504924.db2.gz RPPOYBZBHXTESA-WVCANSMHSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256545252 1043504937 /nfs/dbraw/zinc/50/49/37/1043504937.db2.gz RPPOYBZBHXTESA-WVCANSMHSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256545252 1043504945 /nfs/dbraw/zinc/50/49/45/1043504945.db2.gz RPPOYBZBHXTESA-WVCANSMHSA-N 2 1 396.535 3.726 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256550681 1043514573 /nfs/dbraw/zinc/51/45/73/1043514573.db2.gz NFFBLPLTXBOOMA-KIFXHHALSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256550681 1043514583 /nfs/dbraw/zinc/51/45/83/1043514583.db2.gz NFFBLPLTXBOOMA-KIFXHHALSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256550681 1043514585 /nfs/dbraw/zinc/51/45/85/1043514585.db2.gz NFFBLPLTXBOOMA-KIFXHHALSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256550681 1043514589 /nfs/dbraw/zinc/51/45/89/1043514589.db2.gz NFFBLPLTXBOOMA-KIFXHHALSA-N 2 1 383.580 3.762 20 0 GHADMP C[C@@H]1C[C@@H](n2cc3c(cccc3N3CC[NH2+]CC3)n2)CC[N@H+]1Cc1ccccc1 ZINC001256555070 1043523036 /nfs/dbraw/zinc/52/30/36/1043523036.db2.gz SSBRUGYAVICOJR-CTNGQTDRSA-N 2 1 389.547 3.672 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559025 1043532953 /nfs/dbraw/zinc/53/29/53/1043532953.db2.gz XSEYAMRIOPQZMP-LSUHJGNXSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559025 1043532958 /nfs/dbraw/zinc/53/29/58/1043532958.db2.gz XSEYAMRIOPQZMP-LSUHJGNXSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559025 1043532963 /nfs/dbraw/zinc/53/29/63/1043532963.db2.gz XSEYAMRIOPQZMP-LSUHJGNXSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559025 1043532965 /nfs/dbraw/zinc/53/29/65/1043532965.db2.gz XSEYAMRIOPQZMP-LSUHJGNXSA-N 2 1 392.543 3.928 20 0 GHADMP COCC[N@H+](C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256576362 1043549097 /nfs/dbraw/zinc/54/90/97/1043549097.db2.gz HGASOGLQOXRNEA-IBGZPJMESA-N 2 1 397.604 3.597 20 0 GHADMP COCC[N@@H+](C1CC[NH+](C(C)(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001256576362 1043549107 /nfs/dbraw/zinc/54/91/07/1043549107.db2.gz HGASOGLQOXRNEA-IBGZPJMESA-N 2 1 397.604 3.597 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)[C@@H]1C2 ZINC001256603638 1043567441 /nfs/dbraw/zinc/56/74/41/1043567441.db2.gz DHOPWZPOCXWMJC-JBACZVJFSA-N 2 1 385.552 3.639 20 0 GHADMP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1Cl ZINC001256605221 1043569710 /nfs/dbraw/zinc/56/97/10/1043569710.db2.gz YVCZJZAUQDAFHC-OAQYLSRUSA-N 2 1 397.950 3.695 20 0 GHADMP c1ccc(CN2CCC([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC2)cc1 ZINC001256607685 1043572089 /nfs/dbraw/zinc/57/20/89/1043572089.db2.gz RDDMQQRVZREYCS-ILBGXUMGSA-N 2 1 398.591 3.806 20 0 GHADMP c1ccc(C[NH+]2CCC([N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC2)cc1 ZINC001256607685 1043572096 /nfs/dbraw/zinc/57/20/96/1043572096.db2.gz RDDMQQRVZREYCS-ILBGXUMGSA-N 2 1 398.591 3.806 20 0 GHADMP c1ccc(C[NH+]2CCC([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC2)cc1 ZINC001256607685 1043572107 /nfs/dbraw/zinc/57/21/07/1043572107.db2.gz RDDMQQRVZREYCS-ILBGXUMGSA-N 2 1 398.591 3.806 20 0 GHADMP C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256863271 1043709361 /nfs/dbraw/zinc/70/93/61/1043709361.db2.gz WKBYGXPLJOGTRU-RDPSFJRHSA-N 2 1 378.564 3.893 20 0 GHADMP CSc1ncc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4scnc4C)(C2)CCC3)cn1 ZINC001278975240 1043733006 /nfs/dbraw/zinc/73/30/06/1043733006.db2.gz PMJJMJIZVQYLET-RBUKOAKNSA-N 2 1 389.594 3.688 20 0 GHADMP O[C@@H]1COCC[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C1 ZINC001256932078 1043758344 /nfs/dbraw/zinc/75/83/44/1043758344.db2.gz MAOGBPMHDCKAMV-STEQJIOHSA-N 2 1 394.559 3.693 20 0 GHADMP CC[C@H]1C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257113651 1043857806 /nfs/dbraw/zinc/85/78/06/1043857806.db2.gz IYPFXRIHXLOTHK-MSOLQXFVSA-N 3 1 398.636 3.640 20 0 GHADMP Cc1cc(=O)oc2ccc(NC(=O)[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C(C)C)cc12 ZINC001257214138 1043938532 /nfs/dbraw/zinc/93/85/32/1043938532.db2.gz YGYVPMKGYXVOLA-QFIPXVFZSA-N 2 1 399.535 3.527 20 0 GHADMP CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](C1CC[NH+](C(C)C)CC1)CC2 ZINC001257216374 1043939673 /nfs/dbraw/zinc/93/96/73/1043939673.db2.gz KYXGSYZPEJXNQU-QFIPXVFZSA-N 2 1 383.580 3.730 20 0 GHADMP COCCC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C(C)C)CC1 ZINC001257221702 1043941439 /nfs/dbraw/zinc/94/14/39/1043941439.db2.gz DJTCNBRVMDWAJL-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP COCCC[N@@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CC[NH+](C(C)C)CC1 ZINC001257221702 1043941440 /nfs/dbraw/zinc/94/14/40/1043941440.db2.gz DJTCNBRVMDWAJL-UHFFFAOYSA-N 2 1 397.604 3.597 20 0 GHADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001292967332 1043967800 /nfs/dbraw/zinc/96/78/00/1043967800.db2.gz YYUFGMGNSJEFMI-HMXCVIKNSA-N 2 1 399.604 3.810 20 0 GHADMP CCCCOC(=O)CC[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001257399379 1043985689 /nfs/dbraw/zinc/98/56/89/1043985689.db2.gz ZCUTVRFGNLPPEO-HXUWFJFHSA-N 2 1 387.568 3.882 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC001293235738 1044069925 /nfs/dbraw/zinc/06/99/25/1044069925.db2.gz FZIDNVVRSHGKNF-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001293235738 1044069942 /nfs/dbraw/zinc/06/99/42/1044069942.db2.gz FZIDNVVRSHGKNF-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC001293235738 1044069957 /nfs/dbraw/zinc/06/99/57/1044069957.db2.gz FZIDNVVRSHGKNF-YADHBBJMSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@H]1CC(N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257585760 1044069976 /nfs/dbraw/zinc/06/99/76/1044069976.db2.gz ALYASTWBQLRLIQ-IRXDYDNUSA-N 2 1 377.573 3.581 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C4CCC5(COC5)CC4)CC3)C2)cc1 ZINC001257910121 1044256769 /nfs/dbraw/zinc/25/67/69/1044256769.db2.gz WIZOVLVVXUZUKU-UHFFFAOYSA-N 2 1 384.564 3.621 20 0 GHADMP CC(C)C[NH+]1CCC([NH2+]C[C@@]2(F)CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258001598 1044329427 /nfs/dbraw/zinc/32/94/27/1044329427.db2.gz VWMRISZUUPIQIG-NRFANRHFSA-N 2 1 385.568 3.826 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+](C2CC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258017629 1044343623 /nfs/dbraw/zinc/34/36/23/1044343623.db2.gz CIDZNJLRJAGDQZ-HXUWFJFHSA-N 2 1 379.589 3.971 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)CC1 ZINC001258031478 1044356845 /nfs/dbraw/zinc/35/68/45/1044356845.db2.gz SARBJLLVDHAXDT-QGLXBCBXSA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3ccccn3)[C@@H]2C1 ZINC001258127586 1044412657 /nfs/dbraw/zinc/41/26/57/1044412657.db2.gz TWTWRYYKBUIJDN-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001258127586 1044412662 /nfs/dbraw/zinc/41/26/62/1044412662.db2.gz TWTWRYYKBUIJDN-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001258127586 1044412667 /nfs/dbraw/zinc/41/26/67/1044412667.db2.gz TWTWRYYKBUIJDN-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001258127586 1044412685 /nfs/dbraw/zinc/41/26/85/1044412685.db2.gz TWTWRYYKBUIJDN-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001258127586 1044412688 /nfs/dbraw/zinc/41/26/88/1044412688.db2.gz TWTWRYYKBUIJDN-MPJJRAAHSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258137626 1044422532 /nfs/dbraw/zinc/42/25/32/1044422532.db2.gz JWCQCFKIDYEVHD-UHFFFAOYSA-N 2 1 380.532 3.589 20 0 GHADMP CCOC(=O)C1(C(C)C)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258149045 1044438627 /nfs/dbraw/zinc/43/86/27/1044438627.db2.gz VJBRKQHRIIPZIX-UHFFFAOYSA-N 2 1 386.580 3.995 20 0 GHADMP C[C@@H](CC1CC1)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258461995 1044571023 /nfs/dbraw/zinc/57/10/23/1044571023.db2.gz QWBUJZUZYPCLIO-NGYIFUPDSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H](CC1CC1)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001258461995 1044571038 /nfs/dbraw/zinc/57/10/38/1044571038.db2.gz QWBUJZUZYPCLIO-NGYIFUPDSA-N 2 1 383.580 3.821 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCN(c3ccccc3)CC1)[C@H]2C ZINC001258516013 1044591591 /nfs/dbraw/zinc/59/15/91/1044591591.db2.gz OIPLCAWHLSLYJF-IBGZPJMESA-N 2 1 381.568 3.769 20 0 GHADMP CCCC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC1 ZINC001258531882 1044609342 /nfs/dbraw/zinc/60/93/42/1044609342.db2.gz GEUQGFFNESTBHX-MSVHFWJSSA-N 2 1 385.600 3.812 20 0 GHADMP CCCC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC1 ZINC001258531882 1044609351 /nfs/dbraw/zinc/60/93/51/1044609351.db2.gz GEUQGFFNESTBHX-MSVHFWJSSA-N 2 1 385.600 3.812 20 0 GHADMP CCCC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001258531882 1044609357 /nfs/dbraw/zinc/60/93/57/1044609357.db2.gz GEUQGFFNESTBHX-MSVHFWJSSA-N 2 1 385.600 3.812 20 0 GHADMP CCCC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC1 ZINC001258531882 1044609362 /nfs/dbraw/zinc/60/93/62/1044609362.db2.gz GEUQGFFNESTBHX-MSVHFWJSSA-N 2 1 385.600 3.812 20 0 GHADMP CC(C)([NH3+])CC[NH2+]CCC(C)(C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258553467 1044632248 /nfs/dbraw/zinc/63/22/48/1044632248.db2.gz IRQXDWDYJMDAJI-KRWDZBQOSA-N 3 1 398.636 3.640 20 0 GHADMP O=C1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC001258567531 1044645597 /nfs/dbraw/zinc/64/55/97/1044645597.db2.gz NRUZVSUPGFBULS-HSZRJFAPSA-N 2 1 391.559 3.822 20 0 GHADMP C[C@H](Cc1cccc(Cl)c1)[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001258750016 1044746063 /nfs/dbraw/zinc/74/60/63/1044746063.db2.gz UGYHOIMCEIYIIZ-JMUQELJHSA-N 2 1 399.966 3.889 20 0 GHADMP CCC[NH+]1CCC(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258774990 1044759497 /nfs/dbraw/zinc/75/94/97/1044759497.db2.gz WARXNUQTPFSYSD-QHCPKHFHSA-N 2 1 385.596 3.616 20 0 GHADMP COc1cc(C[C@@H](C)[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc(OC)c1OC ZINC001258869530 1044809768 /nfs/dbraw/zinc/80/97/68/1044809768.db2.gz WGSKCAYNLDDOLW-MRXNPFEDSA-N 2 1 399.535 3.586 20 0 GHADMP COc1cc(C[C@@H](C)N(c2[nH+]cccc2C)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001258877124 1044827020 /nfs/dbraw/zinc/82/70/20/1044827020.db2.gz SSRJAPIGZCGEIV-QGZVFWFLSA-N 2 1 399.535 3.605 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(OC)cc3)C2)C1 ZINC001258909516 1044864464 /nfs/dbraw/zinc/86/44/64/1044864464.db2.gz FYLOLAVQLQOSMX-CVDCTZTESA-N 2 1 387.568 3.635 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)C3)C[N@H+]2C1 ZINC001295141623 1044929153 /nfs/dbraw/zinc/92/91/53/1044929153.db2.gz CZOWEUNBXIPDIJ-RVPFZPFESA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001295141623 1044929157 /nfs/dbraw/zinc/92/91/57/1044929157.db2.gz CZOWEUNBXIPDIJ-RVPFZPFESA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCC[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)C[NH+]2C1 ZINC001295141623 1044929161 /nfs/dbraw/zinc/92/91/61/1044929161.db2.gz CZOWEUNBXIPDIJ-RVPFZPFESA-N 2 1 383.580 3.524 20 0 GHADMP CC[NH+](CC)C1CCN(c2nnc(C)n2CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001295464304 1045026969 /nfs/dbraw/zinc/02/69/69/1045026969.db2.gz ATPFJJGQIAGMTM-LJQANCHMSA-N 2 1 390.620 3.552 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001296188523 1045275699 /nfs/dbraw/zinc/27/56/99/1045275699.db2.gz LBEAGUFPIFNCGF-GMAHTHKFSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001296188523 1045275708 /nfs/dbraw/zinc/27/57/08/1045275708.db2.gz LBEAGUFPIFNCGF-GMAHTHKFSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001296188523 1045275715 /nfs/dbraw/zinc/27/57/15/1045275715.db2.gz LBEAGUFPIFNCGF-GMAHTHKFSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001296188523 1045275724 /nfs/dbraw/zinc/27/57/24/1045275724.db2.gz LBEAGUFPIFNCGF-GMAHTHKFSA-N 2 1 383.580 3.907 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001261233161 1045932196 /nfs/dbraw/zinc/93/21/96/1045932196.db2.gz IJNIHCDBBJHUGS-NQNKTMCVSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001261374826 1045985098 /nfs/dbraw/zinc/98/50/98/1045985098.db2.gz VFKBXAYFSNEDMV-FQEVSTJZSA-N 2 1 398.595 3.736 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC001261790869 1046093858 /nfs/dbraw/zinc/09/38/58/1046093858.db2.gz XNLSAESWESRVHC-LJQANCHMSA-N 2 1 389.547 3.690 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC001301769240 1046693186 /nfs/dbraw/zinc/69/31/86/1046693186.db2.gz CGXLQEIHNNCJHK-JOCHJYFZSA-N 2 1 389.559 3.807 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC001301769240 1046693193 /nfs/dbraw/zinc/69/31/93/1046693193.db2.gz CGXLQEIHNNCJHK-JOCHJYFZSA-N 2 1 389.559 3.807 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000381796701 1047000610 /nfs/dbraw/zinc/00/06/10/1047000610.db2.gz PLYDQLBPCZGCIX-MYGLTJDJSA-N 2 1 399.579 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000390775292 1047512354 /nfs/dbraw/zinc/51/23/54/1047512354.db2.gz OBVRKWXJZCKVKJ-ILWGZMRPSA-N 2 1 399.579 3.886 20 0 GHADMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC001279142522 1047729323 /nfs/dbraw/zinc/72/93/23/1047729323.db2.gz FINSHSKXGGEZRW-UHFFFAOYSA-N 2 1 394.401 3.689 20 0 GHADMP Cn1ncc(Br)c1C[NH+]1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001279614023 1047869434 /nfs/dbraw/zinc/86/94/34/1047869434.db2.gz OWTQVBLACCTRCY-UHFFFAOYSA-N 2 1 395.389 3.803 20 0 GHADMP Cc1ccc(I)cc1C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001279626041 1047874887 /nfs/dbraw/zinc/87/48/87/1047874887.db2.gz CXFHFCDSGKCDJS-UHFFFAOYSA-N 2 1 398.332 3.907 20 0 GHADMP Cc1c(F)ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279656678 1047898913 /nfs/dbraw/zinc/89/89/13/1047898913.db2.gz OXXIREOXIYKIHD-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1c(F)ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279656678 1047898928 /nfs/dbraw/zinc/89/89/28/1047898928.db2.gz OXXIREOXIYKIHD-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP Cc1c(F)ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1Cl ZINC001279656678 1047898940 /nfs/dbraw/zinc/89/89/40/1047898940.db2.gz OXXIREOXIYKIHD-CALCHBBNSA-N 2 1 376.907 3.855 20 0 GHADMP O=c1[nH]cc(Br)cc1C[N@@H+]1C[C@@H]2CC[NH+](C3CCCC3)CC[C@@H]2C1 ZINC001279712088 1047931009 /nfs/dbraw/zinc/93/10/09/1047931009.db2.gz WSTMLHLAPURQPN-GASCZTMLSA-N 2 1 394.357 3.636 20 0 GHADMP O=c1[nH]cc(Br)cc1C[NH+]1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279712088 1047931015 /nfs/dbraw/zinc/93/10/15/1047931015.db2.gz WSTMLHLAPURQPN-GASCZTMLSA-N 2 1 394.357 3.636 20 0 GHADMP O=c1[nH]cc(Br)cc1C[NH+]1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001279712088 1047931020 /nfs/dbraw/zinc/93/10/20/1047931020.db2.gz WSTMLHLAPURQPN-GASCZTMLSA-N 2 1 394.357 3.636 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C)c(Cl)c3C)C[C@H]2CC1 ZINC001279834755 1047963704 /nfs/dbraw/zinc/96/37/04/1047963704.db2.gz SRXZQZNSBFRRIU-BGYRXZFFSA-N 2 1 380.960 3.721 20 0 GHADMP CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280045955 1048062012 /nfs/dbraw/zinc/06/20/12/1048062012.db2.gz QQTHUNSTAJEPBE-GOSISDBHSA-N 2 1 378.479 3.849 20 0 GHADMP CC(C)(C)OC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280045955 1048062027 /nfs/dbraw/zinc/06/20/27/1048062027.db2.gz QQTHUNSTAJEPBE-GOSISDBHSA-N 2 1 378.479 3.849 20 0 GHADMP CC(C)(C)OC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280045955 1048062043 /nfs/dbraw/zinc/06/20/43/1048062043.db2.gz QQTHUNSTAJEPBE-GOSISDBHSA-N 2 1 378.479 3.849 20 0 GHADMP CC(C)(C)OC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280045955 1048062059 /nfs/dbraw/zinc/06/20/59/1048062059.db2.gz QQTHUNSTAJEPBE-GOSISDBHSA-N 2 1 378.479 3.849 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c(F)cc1Cl ZINC001280116337 1048088919 /nfs/dbraw/zinc/08/89/19/1048088919.db2.gz YBPKWPHJSRMDJK-UHFFFAOYSA-N 2 1 376.907 3.582 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)ccc1Br ZINC001280300010 1048169168 /nfs/dbraw/zinc/16/91/68/1048169168.db2.gz IRSQKXQEBYLWIY-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)ccc1Br ZINC001280300010 1048169188 /nfs/dbraw/zinc/16/91/88/1048169188.db2.gz IRSQKXQEBYLWIY-UHFFFAOYSA-N 2 1 395.341 3.544 20 0 GHADMP CCC[N@@H+](CC)CCn1c(N2CCC([NH+](CC)CC)CC2)nnc1C(C)(C)C ZINC001306807981 1048907858 /nfs/dbraw/zinc/90/78/58/1048907858.db2.gz DBKGOFUDBSGWMU-UHFFFAOYSA-N 2 1 392.636 3.618 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001306890550 1048946834 /nfs/dbraw/zinc/94/68/34/1048946834.db2.gz USCVHVYMPPZBJL-VXKWHMMOSA-N 2 1 383.580 3.937 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c[nH]c(=O)c4ccccc34)CC2)CC1 ZINC001307510190 1049351402 /nfs/dbraw/zinc/35/14/02/1049351402.db2.gz OHKCDLUGBKPFQY-UHFFFAOYSA-N 3 1 396.579 3.569 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]c(=O)c2ccccc12 ZINC001307510190 1049351416 /nfs/dbraw/zinc/35/14/16/1049351416.db2.gz OHKCDLUGBKPFQY-UHFFFAOYSA-N 3 1 396.579 3.569 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1c[nH]c(=O)c2ccccc12 ZINC001307510190 1049351431 /nfs/dbraw/zinc/35/14/31/1049351431.db2.gz OHKCDLUGBKPFQY-UHFFFAOYSA-N 3 1 396.579 3.569 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518729 1049362242 /nfs/dbraw/zinc/36/22/42/1049362242.db2.gz VVUPLTCDVXHSFZ-VQTJNVASSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518729 1049362255 /nfs/dbraw/zinc/36/22/55/1049362255.db2.gz VVUPLTCDVXHSFZ-VQTJNVASSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307518729 1049362265 /nfs/dbraw/zinc/36/22/65/1049362265.db2.gz VVUPLTCDVXHSFZ-VQTJNVASSA-N 2 1 379.589 3.687 20 0 GHADMP C[C@H](CSc1ccccc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307907303 1049684740 /nfs/dbraw/zinc/68/47/40/1049684740.db2.gz KSWXAILUQFBQTH-NQIIRXRSSA-N 2 1 385.577 3.518 20 0 GHADMP C[C@H](CSc1ccccc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001307907303 1049684746 /nfs/dbraw/zinc/68/47/46/1049684746.db2.gz KSWXAILUQFBQTH-NQIIRXRSSA-N 2 1 385.577 3.518 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[NH+](C)C)cc1 ZINC001290309096 1049796386 /nfs/dbraw/zinc/79/63/86/1049796386.db2.gz ISNBJJBPHBJXTF-LEWJYISDSA-N 2 1 387.955 3.924 20 0 GHADMP COc1cc(F)cc(OC)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001308267751 1049931844 /nfs/dbraw/zinc/93/18/44/1049931844.db2.gz VVOARKIIIGYVNB-UHFFFAOYSA-N 2 1 388.483 3.607 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(O)cc(Cl)c3)C2)ccn1 ZINC001308875732 1050133863 /nfs/dbraw/zinc/13/38/63/1050133863.db2.gz HQHWGHUWODFUKC-FQEVSTJZSA-N 2 1 375.900 3.546 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(O)cc(Cl)c3)C2)ccn1 ZINC001308875732 1050133865 /nfs/dbraw/zinc/13/38/65/1050133865.db2.gz HQHWGHUWODFUKC-FQEVSTJZSA-N 2 1 375.900 3.546 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(O)cc(Cl)c3)C2)ccn1 ZINC001308875732 1050133870 /nfs/dbraw/zinc/13/38/70/1050133870.db2.gz HQHWGHUWODFUKC-FQEVSTJZSA-N 2 1 375.900 3.546 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(O)cc(Cl)c3)C2)ccn1 ZINC001308875732 1050133873 /nfs/dbraw/zinc/13/38/73/1050133873.db2.gz HQHWGHUWODFUKC-FQEVSTJZSA-N 2 1 375.900 3.546 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001308884131 1050139201 /nfs/dbraw/zinc/13/92/01/1050139201.db2.gz MHTLEMUMNGZJHI-RBUKOAKNSA-N 2 1 377.573 3.630 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CCC3(CC2)COCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC001308915223 1050163729 /nfs/dbraw/zinc/16/37/29/1050163729.db2.gz KJCYFWAXFGPEMN-HSZRJFAPSA-N 2 1 386.580 3.806 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC(F)F)c1 ZINC001328411819 1050501361 /nfs/dbraw/zinc/50/13/61/1050501361.db2.gz ATMFDUMAWBDDEX-QWHCGFSZSA-N 2 1 376.394 3.711 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001331287897 1051237663 /nfs/dbraw/zinc/23/76/63/1051237663.db2.gz NUOHAWSEAMERGS-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCN(C)CC3)c1)CCC2 ZINC001333468079 1051747594 /nfs/dbraw/zinc/74/75/94/1051747594.db2.gz YIFBYSQPSMDHBL-DEOSSOPVSA-N 2 1 379.548 3.610 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001311568956 1052251891 /nfs/dbraw/zinc/25/18/91/1052251891.db2.gz IEAXGPNVRJWOPF-FGZHOGPDSA-N 2 1 388.600 3.806 20 0 GHADMP CCCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC001311571305 1052253955 /nfs/dbraw/zinc/25/39/55/1052253955.db2.gz KHKOWALOZUXLKR-RBUKOAKNSA-N 2 1 392.613 3.647 20 0 GHADMP CN(C(=O)NCc1ccccc1C[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC001311645575 1052296911 /nfs/dbraw/zinc/29/69/11/1052296911.db2.gz BSLFCHZAWJKWGP-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C)C1 ZINC001311645575 1052296917 /nfs/dbraw/zinc/29/69/17/1052296917.db2.gz BSLFCHZAWJKWGP-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C)C1 ZINC001311645575 1052296922 /nfs/dbraw/zinc/29/69/22/1052296922.db2.gz BSLFCHZAWJKWGP-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C(C)(C)C[NH3+])CC2)[C@H]1c1cccs1 ZINC001336829098 1052345427 /nfs/dbraw/zinc/34/54/27/1052345427.db2.gz JZVWBFRUSXSEMI-LPHOPBHVSA-N 2 1 392.613 3.538 20 0 GHADMP C[C@](O)(C[NH2+][C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(Br)cc1Cl ZINC001336840439 1052347418 /nfs/dbraw/zinc/34/74/18/1052347418.db2.gz UCUYGFJESGADDB-VBQJREDUSA-N 2 1 387.749 3.526 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001311887309 1052457579 /nfs/dbraw/zinc/45/75/79/1052457579.db2.gz CLCHGQJEJYNNNW-FQEVSTJZSA-N 2 1 378.605 3.691 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)[NH+](C)Cc1ccccc1 ZINC001311986499 1052515079 /nfs/dbraw/zinc/51/50/79/1052515079.db2.gz LACKEMLKUGCNIH-KNQAVFIVSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[N@H+](C)Cc1ccccc1 ZINC001311986499 1052515087 /nfs/dbraw/zinc/51/50/87/1052515087.db2.gz LACKEMLKUGCNIH-KNQAVFIVSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001311986499 1052515093 /nfs/dbraw/zinc/51/50/93/1052515093.db2.gz LACKEMLKUGCNIH-KNQAVFIVSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCCC1)c1ccccc1 ZINC001311993590 1052519427 /nfs/dbraw/zinc/51/94/27/1052519427.db2.gz KKETZDGMXLRSEB-BVSLBCMMSA-N 2 1 398.595 3.966 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001312054053 1052549757 /nfs/dbraw/zinc/54/97/57/1052549757.db2.gz FIQYYJJMNUUMGC-FQEVSTJZSA-N 2 1 378.605 3.596 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC001312222489 1052646586 /nfs/dbraw/zinc/64/65/86/1052646586.db2.gz GACJVWCYCQSMPP-LAUBAEHRSA-N 2 1 392.563 3.628 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC001312222489 1052646590 /nfs/dbraw/zinc/64/65/90/1052646590.db2.gz GACJVWCYCQSMPP-LAUBAEHRSA-N 2 1 392.563 3.628 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC001312338997 1052701988 /nfs/dbraw/zinc/70/19/88/1052701988.db2.gz SFEHFTLLZKUXLU-RTWAWAEBSA-N 2 1 380.621 3.554 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[NH+](CC(C)C)CC1)c1ccc(Cl)cc1 ZINC001312674426 1052833363 /nfs/dbraw/zinc/83/33/63/1052833363.db2.gz GRGOMDHOBPEIHC-FQEVSTJZSA-N 2 1 394.991 3.706 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC001313172701 1052976306 /nfs/dbraw/zinc/97/63/06/1052976306.db2.gz ZQUIIFKECZYZHW-JOCHJYFZSA-N 2 1 390.616 3.691 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001342737818 1053328498 /nfs/dbraw/zinc/32/84/98/1053328498.db2.gz HRRMYTMMNJOCQP-GIVPXCGWSA-N 2 1 397.588 3.840 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001318303953 1054555960 /nfs/dbraw/zinc/55/59/60/1054555960.db2.gz XOXTYLLTCQKPSQ-NRFANRHFSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)C1 ZINC001318585274 1054732303 /nfs/dbraw/zinc/73/23/03/1054732303.db2.gz LIPRUWSAVBSVLF-PUHATCMVSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)C1 ZINC001318585274 1054732317 /nfs/dbraw/zinc/73/23/17/1054732317.db2.gz LIPRUWSAVBSVLF-PUHATCMVSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)C1 ZINC001318585274 1054732335 /nfs/dbraw/zinc/73/23/35/1054732335.db2.gz LIPRUWSAVBSVLF-PUHATCMVSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)C1 ZINC001318585274 1054732352 /nfs/dbraw/zinc/73/23/52/1054732352.db2.gz LIPRUWSAVBSVLF-PUHATCMVSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1 ZINC001319691871 1055400467 /nfs/dbraw/zinc/40/04/67/1055400467.db2.gz PLXWKWRTBWMPMV-QMMLZNLJSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319691871 1055400471 /nfs/dbraw/zinc/40/04/71/1055400471.db2.gz PLXWKWRTBWMPMV-QMMLZNLJSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001319691871 1055400476 /nfs/dbraw/zinc/40/04/76/1055400476.db2.gz PLXWKWRTBWMPMV-QMMLZNLJSA-N 2 1 390.547 3.525 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001321581351 1056325992 /nfs/dbraw/zinc/32/59/92/1056325992.db2.gz UQBZZFXDIBUSNI-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001321581351 1056326017 /nfs/dbraw/zinc/32/60/17/1056326017.db2.gz UQBZZFXDIBUSNI-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001321581351 1056326037 /nfs/dbraw/zinc/32/60/37/1056326037.db2.gz UQBZZFXDIBUSNI-LJQANCHMSA-N 2 1 379.589 3.974 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(OC(F)F)cc1 ZINC001322643102 1056781444 /nfs/dbraw/zinc/78/14/44/1056781444.db2.gz LKFHJKCPHZQYGK-QGZVFWFLSA-N 2 1 389.490 3.886 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001322653897 1056785739 /nfs/dbraw/zinc/78/57/39/1056785739.db2.gz CHSOADGTKGDIPR-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001322653897 1056785747 /nfs/dbraw/zinc/78/57/47/1056785747.db2.gz CHSOADGTKGDIPR-QHCPKHFHSA-N 2 1 394.563 3.594 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001322756737 1056836373 /nfs/dbraw/zinc/83/63/73/1056836373.db2.gz XHQVNZJIYTXOHE-FCHUYYIVSA-N 2 1 381.495 3.597 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001322756737 1056836381 /nfs/dbraw/zinc/83/63/81/1056836381.db2.gz XHQVNZJIYTXOHE-FCHUYYIVSA-N 2 1 381.495 3.597 20 0 GHADMP Cc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc2c[nH+]cn21 ZINC001323659493 1056996300 /nfs/dbraw/zinc/99/63/00/1056996300.db2.gz KOKGPSSVXJHJGD-REWPJTCUSA-N 2 1 388.515 3.769 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)OCCO2 ZINC001355320107 1057118143 /nfs/dbraw/zinc/11/81/43/1057118143.db2.gz AZWSEJLBKBDNQD-DSBNJHONSA-N 2 1 388.527 3.795 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC000848521326 1057145959 /nfs/dbraw/zinc/14/59/59/1057145959.db2.gz MPUKZRMEAJOAGD-ZWKOTPCHSA-N 2 1 385.512 3.501 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)o1 ZINC000848893630 1057401637 /nfs/dbraw/zinc/40/16/37/1057401637.db2.gz YNHOKHPLTXJZFQ-YUIUBULTSA-N 2 1 382.504 3.988 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326519482 1057503300 /nfs/dbraw/zinc/50/33/00/1057503300.db2.gz PMEIPURDGSMQED-UHFFFAOYSA-N 2 1 390.934 3.998 20 0 GHADMP C[C@]1(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000849075878 1057582948 /nfs/dbraw/zinc/58/29/48/1057582948.db2.gz OEEXSYKMQIGPNT-NFBKMPQASA-N 2 1 378.520 3.536 20 0 GHADMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000849092436 1057591764 /nfs/dbraw/zinc/59/17/64/1057591764.db2.gz GBWIAEYSNCBQQX-FQEVSTJZSA-N 2 1 382.508 3.551 20 0 GHADMP COc1cccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)c1 ZINC001440374071 1058504976 /nfs/dbraw/zinc/50/49/76/1058504976.db2.gz POGZLJRAAOGWBE-DHIUTWEWSA-N 2 1 399.579 3.745 20 0 GHADMP CC[C@@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC001441237771 1058731633 /nfs/dbraw/zinc/73/16/33/1058731633.db2.gz HUSLDNIHUGDSME-QFIPXVFZSA-N 2 1 390.531 3.858 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC001442569669 1058978059 /nfs/dbraw/zinc/97/80/59/1058978059.db2.gz FBJNKSNQSUWSDE-JOCHJYFZSA-N 2 1 379.548 3.536 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)C1 ZINC001444358663 1059316657 /nfs/dbraw/zinc/31/66/57/1059316657.db2.gz YECLCJMIUPPXSJ-HXUWFJFHSA-N 2 1 386.584 3.525 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC001341133989 1060438133 /nfs/dbraw/zinc/43/81/33/1060438133.db2.gz SHCXKEWQAUKYFN-PKTZIBPZSA-N 2 1 395.522 3.599 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC001341133989 1060438139 /nfs/dbraw/zinc/43/81/39/1060438139.db2.gz SHCXKEWQAUKYFN-PKTZIBPZSA-N 2 1 395.522 3.599 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001453213855 1061093812 /nfs/dbraw/zinc/09/38/12/1061093812.db2.gz XIEHBIZZSQFOTN-HNNXBMFYSA-N 2 1 377.529 3.556 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC001453213855 1061093828 /nfs/dbraw/zinc/09/38/28/1061093828.db2.gz XIEHBIZZSQFOTN-HNNXBMFYSA-N 2 1 377.529 3.556 20 0 GHADMP Cc1ccc([C@@H](NC(=O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c2cccs2)cc1 ZINC001346018284 1061294065 /nfs/dbraw/zinc/29/40/65/1061294065.db2.gz TWAOLCDQSCONNV-JOCHJYFZSA-N 2 1 397.588 3.728 20 0 GHADMP C[N@@H+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC001455812285 1062303491 /nfs/dbraw/zinc/30/34/91/1062303491.db2.gz VRQVMXSZUKKMHN-HSZRJFAPSA-N 2 1 393.531 3.763 20 0 GHADMP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC001455812285 1062303508 /nfs/dbraw/zinc/30/35/08/1062303508.db2.gz VRQVMXSZUKKMHN-HSZRJFAPSA-N 2 1 393.531 3.763 20 0 GHADMP C[NH+](CCOc1ccccc1)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC001455812285 1062303536 /nfs/dbraw/zinc/30/35/36/1062303536.db2.gz VRQVMXSZUKKMHN-HSZRJFAPSA-N 2 1 393.531 3.763 20 0 GHADMP Cc1c(C(=O)OC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001348167647 1062943651 /nfs/dbraw/zinc/94/36/51/1062943651.db2.gz RONLFYGKICAEQL-OAQYLSRUSA-N 2 1 390.487 3.787 20 0 GHADMP Cc1c(C(=O)OC[C@H]2CCCC[N@H+]2Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001348167647 1062943657 /nfs/dbraw/zinc/94/36/57/1062943657.db2.gz RONLFYGKICAEQL-OAQYLSRUSA-N 2 1 390.487 3.787 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001457551561 1063240431 /nfs/dbraw/zinc/24/04/31/1063240431.db2.gz VRCACOAFVPWYRA-TWWGPRNNSA-N 2 1 387.568 3.598 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457782417 1063363218 /nfs/dbraw/zinc/36/32/18/1063363218.db2.gz YAUSKSYFBSQGIZ-SONWIMMPSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457782417 1063363241 /nfs/dbraw/zinc/36/32/41/1063363241.db2.gz YAUSKSYFBSQGIZ-SONWIMMPSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+]1CC[C@H](C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC001457782417 1063363268 /nfs/dbraw/zinc/36/32/68/1063363268.db2.gz YAUSKSYFBSQGIZ-SONWIMMPSA-N 2 1 391.559 3.708 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccco1 ZINC001457810346 1063378808 /nfs/dbraw/zinc/37/88/08/1063378808.db2.gz CEQQKLDEACAZOQ-FNHZYXHNSA-N 2 1 377.916 3.781 20 0 GHADMP C[C@@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@H]1CCC[NH2+]C1 ZINC001349488032 1063749830 /nfs/dbraw/zinc/74/98/30/1063749830.db2.gz ZLIYQVJSQDRDFV-IRXDYDNUSA-N 2 1 383.540 3.513 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C3CCCC3)CC2)cc1 ZINC001459346296 1064069338 /nfs/dbraw/zinc/06/93/38/1064069338.db2.gz MCECEPZYKCRWCV-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C3CCCC3)CC2)cc1 ZINC001459346296 1064069346 /nfs/dbraw/zinc/06/93/46/1064069346.db2.gz MCECEPZYKCRWCV-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C3CCCC3)CC2)cc1 ZINC001459346296 1064069357 /nfs/dbraw/zinc/06/93/57/1064069357.db2.gz MCECEPZYKCRWCV-HSZRJFAPSA-N 2 1 383.580 3.684 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1 ZINC001459357015 1064074034 /nfs/dbraw/zinc/07/40/34/1064074034.db2.gz YTSZPRQWVQTXMA-UNMCSNQZSA-N 2 1 399.966 3.766 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1 ZINC001459357015 1064074042 /nfs/dbraw/zinc/07/40/42/1064074042.db2.gz YTSZPRQWVQTXMA-UNMCSNQZSA-N 2 1 399.966 3.766 20 0 GHADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001459905906 1064266519 /nfs/dbraw/zinc/26/65/19/1064266519.db2.gz RYOZDDYYCNWRIS-GGAORHGYSA-N 2 1 385.596 3.978 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(-n3cccc3)ccc2Cl)CC1 ZINC001351219927 1064311558 /nfs/dbraw/zinc/31/15/58/1064311558.db2.gz CGDRBXKJOKDBHJ-UHFFFAOYSA-N 2 1 395.894 3.530 20 0 GHADMP COc1ccc2ccccc2c1C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001200046292 1065067504 /nfs/dbraw/zinc/06/75/04/1065067504.db2.gz LXEYMPFHUHVWTM-UHFFFAOYSA-N 2 1 389.543 3.886 20 0 GHADMP C[C@@H]1[C@H](C(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC001464781169 1065208321 /nfs/dbraw/zinc/20/83/21/1065208321.db2.gz OPLZEHSBPZKONP-NFBKMPQASA-N 2 1 393.575 3.897 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1CC[NH+]1C1CCCC1 ZINC001464847016 1065242980 /nfs/dbraw/zinc/24/29/80/1065242980.db2.gz PUEMMGAQHOEPGX-SFTDATJTSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1CC[NH+]1C1CCCC1 ZINC001464847016 1065242993 /nfs/dbraw/zinc/24/29/93/1065242993.db2.gz PUEMMGAQHOEPGX-SFTDATJTSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001464847016 1065243004 /nfs/dbraw/zinc/24/30/04/1065243004.db2.gz PUEMMGAQHOEPGX-SFTDATJTSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001464847016 1065243014 /nfs/dbraw/zinc/24/30/14/1065243014.db2.gz PUEMMGAQHOEPGX-SFTDATJTSA-N 2 1 389.971 3.828 20 0 GHADMP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001465089083 1065385072 /nfs/dbraw/zinc/38/50/72/1065385072.db2.gz UDJKJQCOTWROTQ-LJQANCHMSA-N 2 1 393.641 3.509 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001465261459 1065508106 /nfs/dbraw/zinc/50/81/06/1065508106.db2.gz FTHFAYSMLUHEDW-QFIPXVFZSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001465261459 1065508124 /nfs/dbraw/zinc/50/81/24/1065508124.db2.gz FTHFAYSMLUHEDW-QFIPXVFZSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001465261459 1065508143 /nfs/dbraw/zinc/50/81/43/1065508143.db2.gz FTHFAYSMLUHEDW-QFIPXVFZSA-N 2 1 383.536 3.648 20 0 GHADMP CC(C)C[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001465261459 1065508157 /nfs/dbraw/zinc/50/81/57/1065508157.db2.gz FTHFAYSMLUHEDW-QFIPXVFZSA-N 2 1 383.536 3.648 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001477579533 1078474816 /nfs/dbraw/zinc/47/48/16/1078474816.db2.gz YEHNTTBAJAIJFZ-VAMGGRTRSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001477597691 1078483385 /nfs/dbraw/zinc/48/33/85/1078483385.db2.gz CZXGFWYTKXNYMV-FQEVSTJZSA-N 2 1 392.632 3.842 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001467688213 1067421064 /nfs/dbraw/zinc/42/10/64/1067421064.db2.gz UUWVJHWMYRUAOY-SLFFLAALSA-N 2 1 380.621 3.554 20 0 GHADMP CC[N@@H+](CCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCCCC1 ZINC001467688234 1067421453 /nfs/dbraw/zinc/42/14/53/1067421453.db2.gz VHQAOLMIIQWGJS-WOJBJXKFSA-N 2 1 380.621 3.698 20 0 GHADMP C[C@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001467782021 1067466231 /nfs/dbraw/zinc/46/62/31/1067466231.db2.gz YODHWAJXWBOVNI-DENIHFKCSA-N 2 1 385.596 3.566 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001468031620 1067573691 /nfs/dbraw/zinc/57/36/91/1067573691.db2.gz DXTGBDGAGWAMMF-XLIONFOSSA-N 2 1 394.991 3.897 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N1C[C@H]2C[NH+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001468159806 1067614254 /nfs/dbraw/zinc/61/42/54/1067614254.db2.gz BLHVHOQYCHZPGR-QPPBQGQZSA-N 2 1 398.595 3.544 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001468159806 1067614261 /nfs/dbraw/zinc/61/42/61/1067614261.db2.gz BLHVHOQYCHZPGR-QPPBQGQZSA-N 2 1 398.595 3.544 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)C1CCCCC1 ZINC001468159806 1067614265 /nfs/dbraw/zinc/61/42/65/1067614265.db2.gz BLHVHOQYCHZPGR-QPPBQGQZSA-N 2 1 398.595 3.544 20 0 GHADMP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001477764338 1078558046 /nfs/dbraw/zinc/55/80/46/1078558046.db2.gz GMUJKFFDBBVKGH-NRFANRHFSA-N 2 1 388.600 3.805 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CCC1 ZINC001468282306 1067666861 /nfs/dbraw/zinc/66/68/61/1067666861.db2.gz MSVKTHJAPOVPEM-JOCHJYFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001468282306 1067666864 /nfs/dbraw/zinc/66/68/64/1067666864.db2.gz MSVKTHJAPOVPEM-JOCHJYFZSA-N 2 1 383.580 3.954 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC001468282306 1067666868 /nfs/dbraw/zinc/66/68/68/1067666868.db2.gz MSVKTHJAPOVPEM-JOCHJYFZSA-N 2 1 383.580 3.954 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCCCC1 ZINC001468287188 1067669253 /nfs/dbraw/zinc/66/92/53/1067669253.db2.gz FKXBTPZWXPGPPP-HXUWFJFHSA-N 2 1 390.572 3.760 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c(Cl)nc21 ZINC000849350071 1067815319 /nfs/dbraw/zinc/81/53/19/1067815319.db2.gz JNKPCCCSLVTMGM-MRXNPFEDSA-N 2 1 375.948 3.877 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)CC1 ZINC001468797902 1067888393 /nfs/dbraw/zinc/88/83/93/1067888393.db2.gz YWMZRAGKQWDJHS-SLFFLAALSA-N 2 1 386.584 3.554 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001477927049 1078631673 /nfs/dbraw/zinc/63/16/73/1078631673.db2.gz KJUPDIVNFPAKOO-FGZHOGPDSA-N 2 1 386.584 3.777 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)c1 ZINC001469386064 1068137082 /nfs/dbraw/zinc/13/70/82/1068137082.db2.gz WNSBQGZDQRHBHK-FCHUYYIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC001469386064 1068137089 /nfs/dbraw/zinc/13/70/89/1068137089.db2.gz WNSBQGZDQRHBHK-FCHUYYIVSA-N 2 1 386.584 3.544 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC001469386064 1068137092 /nfs/dbraw/zinc/13/70/92/1068137092.db2.gz WNSBQGZDQRHBHK-FCHUYYIVSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)Cc3ccccc3)CCCCC2)CC[N@H+]1C ZINC001478064349 1078699227 /nfs/dbraw/zinc/69/92/27/1078699227.db2.gz NSZFLVXRGIGEQE-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC2([N@H+](C)Cc3ccccc3)CCCCC2)CC[NH+]1C ZINC001478064349 1078699229 /nfs/dbraw/zinc/69/92/29/1078699229.db2.gz NSZFLVXRGIGEQE-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCCCC2)CC[NH+]1C ZINC001478064349 1078699231 /nfs/dbraw/zinc/69/92/31/1078699231.db2.gz NSZFLVXRGIGEQE-CTNGQTDRSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001470025651 1068529672 /nfs/dbraw/zinc/52/96/72/1068529672.db2.gz HVSMVKMSLJFMNA-INIZCTEOSA-N 2 1 395.975 3.663 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1OC1CCCC1 ZINC001470025651 1068529690 /nfs/dbraw/zinc/52/96/90/1068529690.db2.gz HVSMVKMSLJFMNA-INIZCTEOSA-N 2 1 395.975 3.663 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccco1 ZINC001470135168 1068589430 /nfs/dbraw/zinc/58/94/30/1068589430.db2.gz WXMSRKSWMOPPLD-ZJOUEHCJSA-N 2 1 398.551 3.625 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001460240784 1068880014 /nfs/dbraw/zinc/88/00/14/1068880014.db2.gz VEYGYPDVYQHQRF-FCHUYYIVSA-N 2 1 383.511 3.690 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001460240784 1068880025 /nfs/dbraw/zinc/88/00/25/1068880025.db2.gz VEYGYPDVYQHQRF-FCHUYYIVSA-N 2 1 383.511 3.690 20 0 GHADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)n2)cc1F ZINC001460303325 1068915353 /nfs/dbraw/zinc/91/53/53/1068915353.db2.gz DUDSDQVBJOJDMK-INIZCTEOSA-N 2 1 381.455 3.852 20 0 GHADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3CCCN(c4cc[nH+]cc4)CC3)n2)cc1F ZINC001460303325 1068915355 /nfs/dbraw/zinc/91/53/55/1068915355.db2.gz DUDSDQVBJOJDMK-INIZCTEOSA-N 2 1 381.455 3.852 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[NH+](CC)CC)cc1 ZINC001460550285 1068993157 /nfs/dbraw/zinc/99/31/57/1068993157.db2.gz CMUDXUBNFJFEGP-NZQKXSOJSA-N 2 1 391.575 3.961 20 0 GHADMP Cc1ccc([C@H](NC(=O)CN[C@H](Cn2ccnc2)c2ccccc2)C2CC2)cc1 ZINC001460696147 1069093401 /nfs/dbraw/zinc/09/34/01/1069093401.db2.gz RKRULWVGAPCLEF-VWNXMTODSA-N 2 1 388.515 3.790 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC001478700886 1078960048 /nfs/dbraw/zinc/96/00/48/1078960048.db2.gz KKRFDPUCGYEUCU-FXAWDEMLSA-N 2 1 392.613 3.575 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001470782413 1072737815 /nfs/dbraw/zinc/73/78/15/1072737815.db2.gz CARKGPSTYVFUAM-NRFANRHFSA-N 2 1 398.595 3.656 20 0 GHADMP C[N@H+](CC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001471062520 1072910044 /nfs/dbraw/zinc/91/00/44/1072910044.db2.gz BRNFZWVMVBSXFS-QHCPKHFHSA-N 2 1 379.548 3.679 20 0 GHADMP C[N@@H+](CC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001471062520 1072910046 /nfs/dbraw/zinc/91/00/46/1072910046.db2.gz BRNFZWVMVBSXFS-QHCPKHFHSA-N 2 1 379.548 3.679 20 0 GHADMP C[NH+](CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001471062520 1072910049 /nfs/dbraw/zinc/91/00/49/1072910049.db2.gz BRNFZWVMVBSXFS-QHCPKHFHSA-N 2 1 379.548 3.679 20 0 GHADMP C[NH+](CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC001471062520 1072910051 /nfs/dbraw/zinc/91/00/51/1072910051.db2.gz BRNFZWVMVBSXFS-QHCPKHFHSA-N 2 1 379.548 3.679 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001478891262 1079016316 /nfs/dbraw/zinc/01/63/16/1079016316.db2.gz KWSOEZSKUHOAJR-NJRJFZHGSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001478891262 1079016322 /nfs/dbraw/zinc/01/63/22/1079016322.db2.gz KWSOEZSKUHOAJR-NJRJFZHGSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)[C@H](C)[C@H](C)[NH+]1Cc1ccccc1 ZINC001478891262 1079016332 /nfs/dbraw/zinc/01/63/32/1079016332.db2.gz KWSOEZSKUHOAJR-NJRJFZHGSA-N 2 1 398.595 3.696 20 0 GHADMP CN(C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001479002044 1079059910 /nfs/dbraw/zinc/05/99/10/1079059910.db2.gz XGJVOFVYGAFVBO-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001479002044 1079059916 /nfs/dbraw/zinc/05/99/16/1079059916.db2.gz XGJVOFVYGAFVBO-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001479002044 1079059921 /nfs/dbraw/zinc/05/99/21/1079059921.db2.gz XGJVOFVYGAFVBO-JTHBVZDNSA-N 2 1 398.595 3.699 20 0 GHADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001473223230 1073871296 /nfs/dbraw/zinc/87/12/96/1073871296.db2.gz WZNHREFTUSALLD-DSNGMDLFSA-N 2 1 396.575 3.848 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001473223230 1073871309 /nfs/dbraw/zinc/87/13/09/1073871309.db2.gz WZNHREFTUSALLD-DSNGMDLFSA-N 2 1 396.575 3.848 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001473223230 1073871324 /nfs/dbraw/zinc/87/13/24/1073871324.db2.gz WZNHREFTUSALLD-DSNGMDLFSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001473223230 1073871335 /nfs/dbraw/zinc/87/13/35/1073871335.db2.gz WZNHREFTUSALLD-DSNGMDLFSA-N 2 1 396.575 3.848 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001473223230 1073871347 /nfs/dbraw/zinc/87/13/47/1073871347.db2.gz WZNHREFTUSALLD-DSNGMDLFSA-N 2 1 396.575 3.848 20 0 GHADMP CCCOc1cccc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)c1 ZINC001473251847 1073890356 /nfs/dbraw/zinc/89/03/56/1073890356.db2.gz XTHOFJZCRQFLKS-UHFFFAOYSA-N 2 1 397.563 3.738 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCCC[C@@H]2C(C)C)CC1 ZINC001473318598 1073918919 /nfs/dbraw/zinc/91/89/19/1073918919.db2.gz VIKQQIBCZJRCEQ-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCCC[C@@H]2C(C)C)CC1 ZINC001473318598 1073918925 /nfs/dbraw/zinc/91/89/25/1073918925.db2.gz VIKQQIBCZJRCEQ-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCCC[C@@H]2C(C)C)CC1 ZINC001473318598 1073918930 /nfs/dbraw/zinc/91/89/30/1073918930.db2.gz VIKQQIBCZJRCEQ-HSZRJFAPSA-N 2 1 385.596 3.930 20 0 GHADMP O=C(C[NH+]1CCC2(CCC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001473451593 1073969867 /nfs/dbraw/zinc/96/98/67/1073969867.db2.gz CAFIZJKHCMFPEK-FQEVSTJZSA-N 2 1 389.971 3.859 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F)c1ccccc1 ZINC001473581674 1074029837 /nfs/dbraw/zinc/02/98/37/1074029837.db2.gz QNTVMGJHWWRIOC-LADGPHEKSA-N 2 1 397.538 3.642 20 0 GHADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1ccccc1F ZINC001473594101 1074038425 /nfs/dbraw/zinc/03/84/25/1074038425.db2.gz UQMOAZVXISOKAF-HSZRJFAPSA-N 2 1 397.538 3.909 20 0 GHADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)c1ccccc1F ZINC001473594101 1074038430 /nfs/dbraw/zinc/03/84/30/1074038430.db2.gz UQMOAZVXISOKAF-HSZRJFAPSA-N 2 1 397.538 3.909 20 0 GHADMP CC(C)C[N@H+](Cc1ccc(OCc2nccn2C)cc1)CC1CC[NH+](C)CC1 ZINC001473739545 1074117068 /nfs/dbraw/zinc/11/70/68/1074117068.db2.gz XJBJIOJJVRLELC-UHFFFAOYSA-N 2 1 384.568 3.799 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC001473938805 1074211378 /nfs/dbraw/zinc/21/13/78/1074211378.db2.gz NKNUXFHPJRJEDK-UHFFFAOYSA-N 2 1 375.520 3.638 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1C ZINC001474184961 1074286313 /nfs/dbraw/zinc/28/63/13/1074286313.db2.gz KLDILALAFIXIOG-ZJSXRUAMSA-N 2 1 398.547 3.639 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1C ZINC001474184961 1074286318 /nfs/dbraw/zinc/28/63/18/1074286318.db2.gz KLDILALAFIXIOG-ZJSXRUAMSA-N 2 1 398.547 3.639 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3N3CCO[C@@H](C)C3)C2)CC1 ZINC001474339858 1074351895 /nfs/dbraw/zinc/35/18/95/1074351895.db2.gz PSMWOSWZCJCXLO-VXKWHMMOSA-N 2 1 385.596 3.856 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3N3CCO[C@@H](C)C3)C2)CC1 ZINC001474339858 1074351899 /nfs/dbraw/zinc/35/18/99/1074351899.db2.gz PSMWOSWZCJCXLO-VXKWHMMOSA-N 2 1 385.596 3.856 20 0 GHADMP OCCCCOc1ccccc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001474516183 1074443646 /nfs/dbraw/zinc/44/36/46/1074443646.db2.gz ANHIVOIJWKTJTM-RUZDIDTESA-N 2 1 394.559 3.936 20 0 GHADMP OCCCCOc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001474516183 1074443653 /nfs/dbraw/zinc/44/36/53/1074443653.db2.gz ANHIVOIJWKTJTM-RUZDIDTESA-N 2 1 394.559 3.936 20 0 GHADMP OCCCCOc1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001474516183 1074443655 /nfs/dbraw/zinc/44/36/55/1074443655.db2.gz ANHIVOIJWKTJTM-RUZDIDTESA-N 2 1 394.559 3.936 20 0 GHADMP OCCCCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001474516183 1074443660 /nfs/dbraw/zinc/44/36/60/1074443660.db2.gz ANHIVOIJWKTJTM-RUZDIDTESA-N 2 1 394.559 3.936 20 0 GHADMP OCCCCOc1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001474516183 1074443663 /nfs/dbraw/zinc/44/36/63/1074443663.db2.gz ANHIVOIJWKTJTM-RUZDIDTESA-N 2 1 394.559 3.936 20 0 GHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccnc(N4CCSCC4)c3)CC2)C1 ZINC001474651449 1074500280 /nfs/dbraw/zinc/50/02/80/1074500280.db2.gz PHOJSWKVBMTYHA-GHTZIAJQSA-N 2 1 388.625 3.768 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CC[NH+]1CCCCCC1 ZINC001495288232 1079398262 /nfs/dbraw/zinc/39/82/62/1079398262.db2.gz WXTIHKYGXHKYBM-UFYCRDLUSA-N 2 1 390.620 3.587 20 0 GHADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[nH+]1 ZINC000737245297 599169021 /nfs/dbraw/zinc/16/90/21/599169021.db2.gz NBPUYVDNOOMTGN-MRXNPFEDSA-N 2 1 377.496 3.516 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820709219 599367297 /nfs/dbraw/zinc/36/72/97/599367297.db2.gz GDFOQJSLCXILLH-ROUUACIJSA-N 2 1 390.535 3.949 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820709220 599367662 /nfs/dbraw/zinc/36/76/62/599367662.db2.gz GDFOQJSLCXILLH-ZWKOTPCHSA-N 2 1 390.535 3.949 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cc2)C1 ZINC000820710100 607473186 /nfs/dbraw/zinc/47/31/86/607473186.db2.gz OEHAZSYQWOOVKS-INIZCTEOSA-N 2 1 394.498 3.528 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1 ZINC001165044957 721961772 /nfs/dbraw/zinc/96/17/72/721961772.db2.gz RABUWPKETZNTHM-QHCPKHFHSA-N 2 1 394.563 3.830 20 0 GHADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(-n4ccnc4)cc[nH+]2)C3)c1 ZINC001164996114 722210680 /nfs/dbraw/zinc/21/06/80/722210680.db2.gz LKJBHXSVJPXYKD-QFIPXVFZSA-N 2 1 377.467 3.651 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCC1CCCCC1 ZINC000431791093 837532829 /nfs/dbraw/zinc/53/28/29/837532829.db2.gz KYQWAUHERFCYAC-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000414108962 837570711 /nfs/dbraw/zinc/57/07/11/837570711.db2.gz GTXJKPTUUKHBPK-QWFCFKBJSA-N 2 1 377.960 3.543 20 0 GHADMP Cc1nc(-c2ccc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)s2)cs1 ZINC000655698849 837689827 /nfs/dbraw/zinc/68/98/27/837689827.db2.gz XUZRDNSOYLETRT-MRXNPFEDSA-N 2 1 377.579 3.565 20 0 GHADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000657762388 834418796 /nfs/dbraw/zinc/41/87/96/834418796.db2.gz HEAYLDXMJXALGO-NRFANRHFSA-N 2 1 383.580 3.860 20 0 GHADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000657762388 834418802 /nfs/dbraw/zinc/41/88/02/834418802.db2.gz HEAYLDXMJXALGO-NRFANRHFSA-N 2 1 383.580 3.860 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000547623586 834434886 /nfs/dbraw/zinc/43/48/86/834434886.db2.gz AYDLSFKZGQSRPA-UHFFFAOYSA-N 2 1 393.373 3.888 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000547623586 834434891 /nfs/dbraw/zinc/43/48/91/834434891.db2.gz AYDLSFKZGQSRPA-UHFFFAOYSA-N 2 1 393.373 3.888 20 0 GHADMP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655733008 837770397 /nfs/dbraw/zinc/77/03/97/837770397.db2.gz HROADAGIRUKYDK-WMLDXEAASA-N 2 1 399.348 3.752 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000278276696 834482899 /nfs/dbraw/zinc/48/28/99/834482899.db2.gz PMGYMBPWZAAMQN-NUNAXRQHSA-N 2 1 377.532 3.674 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000278276696 834482904 /nfs/dbraw/zinc/48/29/04/834482904.db2.gz PMGYMBPWZAAMQN-NUNAXRQHSA-N 2 1 377.532 3.674 20 0 GHADMP CCN(C)[C@H](C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000780378218 834503935 /nfs/dbraw/zinc/50/39/35/834503935.db2.gz LTIIFORQBXNLGH-WWNPGLIZSA-N 2 1 396.531 3.924 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000654747161 834506235 /nfs/dbraw/zinc/50/62/35/834506235.db2.gz XXCYNHRIKWWGGQ-QFIPXVFZSA-N 2 1 397.607 3.664 20 0 GHADMP CCCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705336 834520880 /nfs/dbraw/zinc/52/08/80/834520880.db2.gz DYYWNCQBOZGYEO-ZJOUEHCJSA-N 2 1 376.541 3.592 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)C1 ZINC000650707898 834546914 /nfs/dbraw/zinc/54/69/14/834546914.db2.gz PMTQKDDQEYPMJD-GYSYKLTISA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)C1 ZINC000650707898 834546922 /nfs/dbraw/zinc/54/69/22/834546922.db2.gz PMTQKDDQEYPMJD-GYSYKLTISA-N 2 1 393.778 3.882 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cs2)c(OC)c1 ZINC000584411406 834547167 /nfs/dbraw/zinc/54/71/67/834547167.db2.gz GTCKZGOZCIPFMV-JKSUJKDBSA-N 2 1 387.549 3.649 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000655735319 837784944 /nfs/dbraw/zinc/78/49/44/837784944.db2.gz GYTIUTNHYZRTLP-DYESRHJHSA-N 2 1 388.531 3.546 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3F)nc2C)[C@H](C)C1 ZINC000655735319 837784949 /nfs/dbraw/zinc/78/49/49/837784949.db2.gz GYTIUTNHYZRTLP-DYESRHJHSA-N 2 1 388.531 3.546 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3Cl)CC2)CC1 ZINC000654812414 834595767 /nfs/dbraw/zinc/59/57/67/834595767.db2.gz CFUCBIRMPXYACM-HNNXBMFYSA-N 2 1 395.950 3.853 20 0 GHADMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000657772014 834685223 /nfs/dbraw/zinc/68/52/23/834685223.db2.gz IPRXDEIIOVBJMG-LJQANCHMSA-N 2 1 395.513 3.905 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OCCC(C)C ZINC000650723371 834701406 /nfs/dbraw/zinc/70/14/06/834701406.db2.gz MUWAMHWYFARQPM-SJBKTWHCSA-N 2 1 390.568 3.981 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2Cl)C1 ZINC000650724093 834709312 /nfs/dbraw/zinc/70/93/12/834709312.db2.gz YFYDUMUDKWVUQW-DJIMGWMZSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2Cl)C1 ZINC000650724093 834709315 /nfs/dbraw/zinc/70/93/15/834709315.db2.gz YFYDUMUDKWVUQW-DJIMGWMZSA-N 2 1 387.749 3.963 20 0 GHADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000655744949 837803826 /nfs/dbraw/zinc/80/38/26/837803826.db2.gz YAKGNNJEPPGTAH-UHFFFAOYSA-N 2 1 390.535 3.655 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000143403525 834795275 /nfs/dbraw/zinc/79/52/75/834795275.db2.gz ZXVGNCKYMJAXMC-JOCHJYFZSA-N 2 1 392.478 3.601 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000143403525 834795281 /nfs/dbraw/zinc/79/52/81/834795281.db2.gz ZXVGNCKYMJAXMC-JOCHJYFZSA-N 2 1 392.478 3.601 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1)C1CCCCC1 ZINC000128241933 834867292 /nfs/dbraw/zinc/86/72/92/834867292.db2.gz RSFSMRSTVDHIKV-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000128241933 834867300 /nfs/dbraw/zinc/86/73/00/834867300.db2.gz RSFSMRSTVDHIKV-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP C[NH+](Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000128241933 834867303 /nfs/dbraw/zinc/86/73/03/834867303.db2.gz RSFSMRSTVDHIKV-IBGZPJMESA-N 2 1 398.595 3.735 20 0 GHADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431567111 834925163 /nfs/dbraw/zinc/92/51/63/834925163.db2.gz XFOFKFILCNNUQA-MOPGFXCFSA-N 2 1 375.582 3.798 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c2cccs2)CC1 ZINC000431570848 834932936 /nfs/dbraw/zinc/93/29/36/834932936.db2.gz MTYZUVUFEPPDGB-RBUKOAKNSA-N 2 1 377.598 3.902 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2ccc(F)c3ccccc23)CC1 ZINC001125287195 834956005 /nfs/dbraw/zinc/95/60/05/834956005.db2.gz HSXHDKOSKJFAHB-VQHVLOKHSA-N 2 1 390.462 3.778 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000685417706 834996756 /nfs/dbraw/zinc/99/67/56/834996756.db2.gz MSCVCDIZJVEJLG-MBGNVJMVSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685417706 834996764 /nfs/dbraw/zinc/99/67/64/834996764.db2.gz MSCVCDIZJVEJLG-MBGNVJMVSA-N 2 1 381.486 3.821 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457832 835022363 /nfs/dbraw/zinc/02/23/63/835022363.db2.gz PMQWRLHFJPUEHL-MRXNPFEDSA-N 2 1 387.902 3.542 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+](C)[C@@H]4CC[N@@H+](C)C[C@H]4C)cc3)nc12 ZINC000685470406 835033429 /nfs/dbraw/zinc/03/34/29/835033429.db2.gz MQUIAQIRRWBTEK-AUSIDOKSSA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+](C)[C@@H]4CC[N@H+](C)C[C@H]4C)cc3)nc12 ZINC000685470406 835033435 /nfs/dbraw/zinc/03/34/35/835033435.db2.gz MQUIAQIRRWBTEK-AUSIDOKSSA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@@H]4CC[NH+](C)C[C@H]4C)cc3)nc12 ZINC000685470406 835033442 /nfs/dbraw/zinc/03/34/42/835033442.db2.gz MQUIAQIRRWBTEK-AUSIDOKSSA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@@H]4CC[NH+](C)C[C@H]4C)cc3)nc12 ZINC000685470406 835033451 /nfs/dbraw/zinc/03/34/51/835033451.db2.gz MQUIAQIRRWBTEK-AUSIDOKSSA-N 2 1 392.547 3.994 20 0 GHADMP CNC(=O)C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000584460479 835091685 /nfs/dbraw/zinc/09/16/85/835091685.db2.gz KHFKIABQQDROSE-XPPIMPSXSA-N 2 1 379.548 3.897 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000430217902 835212542 /nfs/dbraw/zinc/21/25/42/835212542.db2.gz LYVVNRYVLKOOJC-NWSQWKLXSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000430217902 835212549 /nfs/dbraw/zinc/21/25/49/835212549.db2.gz LYVVNRYVLKOOJC-NWSQWKLXSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000430217902 835212554 /nfs/dbraw/zinc/21/25/54/835212554.db2.gz LYVVNRYVLKOOJC-NWSQWKLXSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)C1 ZINC000536171207 835310179 /nfs/dbraw/zinc/31/01/79/835310179.db2.gz PIRSGJHTFGCMMK-NJAFHUGGSA-N 2 1 391.506 3.703 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(SC)c3)CC2)CC1 ZINC000655168816 835347924 /nfs/dbraw/zinc/34/79/24/835347924.db2.gz QKFLVVFBSBXEFG-UHFFFAOYSA-N 2 1 375.582 3.852 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000151369142 835404860 /nfs/dbraw/zinc/40/48/60/835404860.db2.gz VJYHAOPGAUQRKB-KGLIPLIRSA-N 2 1 375.340 3.586 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142204 835453853 /nfs/dbraw/zinc/45/38/53/835453853.db2.gz DMBWYDZFJFSNHP-HNAYVOBHSA-N 2 1 376.447 3.705 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccccc1Br ZINC000658144157 835454301 /nfs/dbraw/zinc/45/43/01/835454301.db2.gz KRCSLCNJFGYCGE-QAPCUYQASA-N 2 1 389.337 3.867 20 0 GHADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658137456 835463048 /nfs/dbraw/zinc/46/30/48/835463048.db2.gz KVTJEPHSHJRUFG-QRWLVFNGSA-N 2 1 376.903 3.767 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cc2)C1 ZINC000658140074 835465005 /nfs/dbraw/zinc/46/50/05/835465005.db2.gz SINRYVDYPMGRLG-UPVQGACJSA-N 2 1 391.490 3.667 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cc2)C1 ZINC000658140074 835465010 /nfs/dbraw/zinc/46/50/10/835465010.db2.gz SINRYVDYPMGRLG-UPVQGACJSA-N 2 1 391.490 3.667 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccccc1OC(F)F ZINC000658141054 835466518 /nfs/dbraw/zinc/46/65/18/835466518.db2.gz BGOWTRHMJQIICD-MAUKXSAKSA-N 2 1 376.447 3.705 20 0 GHADMP O=C(CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082116 835564307 /nfs/dbraw/zinc/56/43/07/835564307.db2.gz AIXWJTNKOYCAHJ-WOJBJXKFSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082116 835564318 /nfs/dbraw/zinc/56/43/18/835564318.db2.gz AIXWJTNKOYCAHJ-WOJBJXKFSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000584082116 835564330 /nfs/dbraw/zinc/56/43/30/835564330.db2.gz AIXWJTNKOYCAHJ-WOJBJXKFSA-N 2 1 381.495 3.608 20 0 GHADMP CCOc1ccccc1NC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274811485 835584986 /nfs/dbraw/zinc/58/49/86/835584986.db2.gz HXLBEQNCGDIYGH-ICSRJNTNSA-N 2 1 381.520 3.524 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000472366664 835657958 /nfs/dbraw/zinc/65/79/58/835657958.db2.gz GFYNFLIJXKDTRR-RBUKOAKNSA-N 2 1 380.458 3.618 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000584223331 835784290 /nfs/dbraw/zinc/78/42/90/835784290.db2.gz BYUNYGXQYWWATL-QHCPKHFHSA-N 2 1 385.596 3.520 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000109311169 835797465 /nfs/dbraw/zinc/79/74/65/835797465.db2.gz YKWYFLHSDFTWRT-NHCUHLMSSA-N 2 1 383.536 3.691 20 0 GHADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471217801 835932614 /nfs/dbraw/zinc/93/26/14/835932614.db2.gz DEHLNGIFTQLWDF-LJQANCHMSA-N 2 1 397.538 3.847 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000081552259 835957773 /nfs/dbraw/zinc/95/77/73/835957773.db2.gz GRWMWUVKDKOJKA-RXVVDRJESA-N 2 1 375.532 3.561 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000081552259 835957778 /nfs/dbraw/zinc/95/77/78/835957778.db2.gz GRWMWUVKDKOJKA-RXVVDRJESA-N 2 1 375.532 3.561 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081552259 835957786 /nfs/dbraw/zinc/95/77/86/835957786.db2.gz GRWMWUVKDKOJKA-RXVVDRJESA-N 2 1 375.532 3.561 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081552259 835957797 /nfs/dbraw/zinc/95/77/97/835957797.db2.gz GRWMWUVKDKOJKA-RXVVDRJESA-N 2 1 375.532 3.561 20 0 GHADMP C[C@@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000584468043 836035229 /nfs/dbraw/zinc/03/52/29/836035229.db2.gz VQWRLPKQROEKJA-KNQAVFIVSA-N 2 1 379.548 3.836 20 0 GHADMP COc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1OC ZINC000092587558 844122488 /nfs/dbraw/zinc/12/24/88/844122488.db2.gz UXDZSGJJEDIHRV-HZPDHXFCSA-N 2 1 396.959 3.678 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000547757524 836077194 /nfs/dbraw/zinc/07/71/94/836077194.db2.gz WPWSRSXEMBDLEQ-UHFFFAOYSA-N 2 1 395.522 3.770 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000547757524 836077200 /nfs/dbraw/zinc/07/72/00/836077200.db2.gz WPWSRSXEMBDLEQ-UHFFFAOYSA-N 2 1 395.522 3.770 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2ccccc2)C2CC2)CC1 ZINC000613369695 836225570 /nfs/dbraw/zinc/22/55/70/836225570.db2.gz GJKLZGCHBSZIMU-UHFFFAOYSA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2ccccc2)C2CC2)CC1 ZINC000613369695 836225581 /nfs/dbraw/zinc/22/55/81/836225581.db2.gz GJKLZGCHBSZIMU-UHFFFAOYSA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000613369695 836225589 /nfs/dbraw/zinc/22/55/89/836225589.db2.gz GJKLZGCHBSZIMU-UHFFFAOYSA-N 2 1 391.559 3.694 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000613369695 836225594 /nfs/dbraw/zinc/22/55/94/836225594.db2.gz GJKLZGCHBSZIMU-UHFFFAOYSA-N 2 1 391.559 3.694 20 0 GHADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccc(Br)cc1 ZINC000173879666 836318549 /nfs/dbraw/zinc/31/85/49/836318549.db2.gz WLEZTMXJKPNBOP-MRXNPFEDSA-N 2 1 394.357 3.586 20 0 GHADMP C[N@H+](CCCC(=O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394166331 836504267 /nfs/dbraw/zinc/50/42/67/836504267.db2.gz MEGJQBDNFMSBIS-JWTNVVGKSA-N 2 1 379.342 3.969 20 0 GHADMP C[N@@H+](CCCC(=O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394166331 836504277 /nfs/dbraw/zinc/50/42/77/836504277.db2.gz MEGJQBDNFMSBIS-JWTNVVGKSA-N 2 1 379.342 3.969 20 0 GHADMP C[NH+](CCCC(=O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394166331 836504284 /nfs/dbraw/zinc/50/42/84/836504284.db2.gz MEGJQBDNFMSBIS-JWTNVVGKSA-N 2 1 379.342 3.969 20 0 GHADMP C[NH+](CCCC(=O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394166331 836504295 /nfs/dbraw/zinc/50/42/95/836504295.db2.gz MEGJQBDNFMSBIS-JWTNVVGKSA-N 2 1 379.342 3.969 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC[N@H+]1C ZINC000155251892 836665795 /nfs/dbraw/zinc/66/57/95/836665795.db2.gz NFMKSDWJKWEOCC-YJBOKZPZSA-N 2 1 381.358 3.570 20 0 GHADMP COc1cc2c[nH+]c(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)cc2cc1OC ZINC001167162151 836737295 /nfs/dbraw/zinc/73/72/95/836737295.db2.gz HQSZIFSIJHTYKH-UHFFFAOYSA-N 2 1 389.499 3.893 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC000431703575 836967252 /nfs/dbraw/zinc/96/72/52/836967252.db2.gz RQFIMENTXWYBHS-MPJJRAAHSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC000431703575 836967259 /nfs/dbraw/zinc/96/72/59/836967259.db2.gz RQFIMENTXWYBHS-MPJJRAAHSA-N 2 1 386.584 3.554 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC000431703575 836967265 /nfs/dbraw/zinc/96/72/65/836967265.db2.gz RQFIMENTXWYBHS-MPJJRAAHSA-N 2 1 386.584 3.554 20 0 GHADMP c1cc(-c2noc([C@H]3CCC[N@@H+]3C3CCCC3)n2)ccc1C[NH+]1CCOCC1 ZINC000275400546 836985530 /nfs/dbraw/zinc/98/55/30/836985530.db2.gz DYHHZOMKHFTQGF-HXUWFJFHSA-N 2 1 382.508 3.648 20 0 GHADMP c1cc(-c2noc([C@H]3CCC[N@H+]3C3CCCC3)n2)ccc1C[NH+]1CCOCC1 ZINC000275400546 836985544 /nfs/dbraw/zinc/98/55/44/836985544.db2.gz DYHHZOMKHFTQGF-HXUWFJFHSA-N 2 1 382.508 3.648 20 0 GHADMP [NH3+]CCN1CC[NH+](Cc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC001210029055 837120723 /nfs/dbraw/zinc/12/07/23/837120723.db2.gz QKJWYDCCTRBOOA-UHFFFAOYSA-N 2 1 379.426 3.574 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(Cc3ccccc3)Cc3ccccc3)CC2)C1 ZINC000685836910 837148227 /nfs/dbraw/zinc/14/82/27/837148227.db2.gz JAFWBAFSBMYZLD-AREMUKBSSA-N 2 1 391.603 3.800 20 0 GHADMP C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547828170 837169127 /nfs/dbraw/zinc/16/91/27/837169127.db2.gz OFWPVKXOBKIMER-RCZSKKKRSA-N 2 1 377.532 3.572 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]CC2Cc3ccccc3C2)c1)C1CCOCC1 ZINC000685840723 837197058 /nfs/dbraw/zinc/19/70/58/837197058.db2.gz FACYDIINDUMQLE-UHFFFAOYSA-N 2 1 394.559 3.681 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000510266365 837216060 /nfs/dbraw/zinc/21/60/60/837216060.db2.gz ZDIYIODREMDTRJ-WAMYUVKHSA-N 2 1 389.628 3.904 20 0 GHADMP Clc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC3 ZINC000655779658 837854398 /nfs/dbraw/zinc/85/43/98/837854398.db2.gz PWBJOSGPEWIMDJ-QZTJIDSGSA-N 2 1 387.955 3.912 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000659863939 837911816 /nfs/dbraw/zinc/91/18/16/837911816.db2.gz JLSILUNZEYXKHH-ROUUACIJSA-N 2 1 382.017 3.923 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000655831860 837997526 /nfs/dbraw/zinc/99/75/26/837997526.db2.gz MCIWMLPPKSJJLJ-AKIFATBCSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659285401 838202268 /nfs/dbraw/zinc/20/22/68/838202268.db2.gz OBNSLRLTGQFZLV-MBSDFSHPSA-N 2 1 377.532 3.912 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415900456 838247194 /nfs/dbraw/zinc/24/71/94/838247194.db2.gz AJQFNWPFLGLIJE-PGRDOPGGSA-N 2 1 380.536 3.828 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000415898943 838253015 /nfs/dbraw/zinc/25/30/15/838253015.db2.gz IFWULMTWXQLZOM-OAQYLSRUSA-N 2 1 380.536 3.828 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000151134258 838258619 /nfs/dbraw/zinc/25/86/19/838258619.db2.gz BKCTVKKASHSEDS-GJZGRUSLSA-N 2 1 387.446 3.624 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415920802 838271748 /nfs/dbraw/zinc/27/17/48/838271748.db2.gz PNYOTSWDACCHQO-NQIIRXRSSA-N 2 1 380.536 3.828 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659323200 838287008 /nfs/dbraw/zinc/28/70/08/838287008.db2.gz DSJICPIAVJYCIJ-XXBNENTESA-N 2 1 391.559 3.802 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1 ZINC000415938071 838290582 /nfs/dbraw/zinc/29/05/82/838290582.db2.gz YCQWABRTMNZPOX-QFIPXVFZSA-N 2 1 380.536 3.610 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415943824 838297417 /nfs/dbraw/zinc/29/74/17/838297417.db2.gz NIHYTLKHTFIZEI-GHTZIAJQSA-N 2 1 380.536 3.828 20 0 GHADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690750 838312452 /nfs/dbraw/zinc/31/24/52/838312452.db2.gz OMKIKFIIVLMNFZ-UEQSERJNSA-N 2 1 394.559 3.828 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000415954518 838315877 /nfs/dbraw/zinc/31/58/77/838315877.db2.gz GYXYMMGJFWPUTP-FCHUYYIVSA-N 2 1 394.519 3.514 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000415954535 838316191 /nfs/dbraw/zinc/31/61/91/838316191.db2.gz GYXYMMGJFWPUTP-VXKWHMMOSA-N 2 1 394.519 3.514 20 0 GHADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659384030 838342902 /nfs/dbraw/zinc/34/29/02/838342902.db2.gz XYQRGYCPUIDQPX-GCJKJVERSA-N 2 1 377.532 3.738 20 0 GHADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000651350708 838716964 /nfs/dbraw/zinc/71/69/64/838716964.db2.gz PNTZHXAWEKBPSS-CENDIDJXSA-N 2 1 382.470 3.865 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275764672 838763991 /nfs/dbraw/zinc/76/39/91/838763991.db2.gz UCFIGEIMKRJOQN-PXNSSMCTSA-N 2 1 383.502 3.761 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1 ZINC000189094296 839078162 /nfs/dbraw/zinc/07/81/62/839078162.db2.gz DNEGVZYCUBAOAI-FDDCHVKYSA-N 2 1 388.515 3.941 20 0 GHADMP Brc1cccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)c1 ZINC000415034300 839095417 /nfs/dbraw/zinc/09/54/17/839095417.db2.gz HOVUHNCOOKRSIZ-HNNXBMFYSA-N 2 1 381.339 3.646 20 0 GHADMP c1ccc(COc2cccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c2)cc1 ZINC000415056220 839138252 /nfs/dbraw/zinc/13/82/52/839138252.db2.gz PNSRZXUIXUDKEQ-UHFFFAOYSA-N 2 1 379.548 3.572 20 0 GHADMP CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000580304703 839214977 /nfs/dbraw/zinc/21/49/77/839214977.db2.gz TWWQZSTWDSDITP-VWNXMTODSA-N 2 1 382.548 3.536 20 0 GHADMP C[C@H](c1ccc(NC(=O)NCC[NH2+]C2CCCCCC2)cc1)[NH+]1CCOCC1 ZINC000415181595 839332744 /nfs/dbraw/zinc/33/27/44/839332744.db2.gz LWFOLBHFIONPNU-GOSISDBHSA-N 2 1 388.556 3.514 20 0 GHADMP C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378572618 839350707 /nfs/dbraw/zinc/35/07/07/839350707.db2.gz PLBPSYLLXZSUQE-NQIIRXRSSA-N 2 1 376.504 3.779 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659848188 839762262 /nfs/dbraw/zinc/76/22/62/839762262.db2.gz YRWHCGZRSSOZIU-FQEVSTJZSA-N 2 1 375.582 3.933 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000684026872 840014187 /nfs/dbraw/zinc/01/41/87/840014187.db2.gz USNRCRLYNXZWMO-UHFFFAOYSA-N 3 1 382.552 3.539 20 0 GHADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000580696679 840026748 /nfs/dbraw/zinc/02/67/48/840026748.db2.gz DSRGHPDDRPTPEH-BHDDXSALSA-N 2 1 378.520 3.573 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000238016559 840035591 /nfs/dbraw/zinc/03/55/91/840035591.db2.gz RWYDVRGZUDEOFE-FQEVSTJZSA-N 2 1 378.438 3.993 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535805891 844504352 /nfs/dbraw/zinc/50/43/52/844504352.db2.gz YPYKFVNTRROTCD-NEWSRXKRSA-N 2 1 397.346 3.953 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000535805891 844504360 /nfs/dbraw/zinc/50/43/60/844504360.db2.gz YPYKFVNTRROTCD-NEWSRXKRSA-N 2 1 397.346 3.953 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000535807635 844505001 /nfs/dbraw/zinc/50/50/01/844505001.db2.gz WTOBUCMFUXOMPZ-RMVZNSSTSA-N 2 1 391.575 3.992 20 0 GHADMP CC[C@H](C)CN(C)c1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000535807635 844505011 /nfs/dbraw/zinc/50/50/11/844505011.db2.gz WTOBUCMFUXOMPZ-RMVZNSSTSA-N 2 1 391.575 3.992 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193866576 840199026 /nfs/dbraw/zinc/19/90/26/840199026.db2.gz RCVFAIIBDMPYAB-UHFFFAOYSA-N 2 1 398.463 3.847 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193866576 840199033 /nfs/dbraw/zinc/19/90/33/840199033.db2.gz RCVFAIIBDMPYAB-UHFFFAOYSA-N 2 1 398.463 3.847 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)CC1 ZINC000580801085 840202855 /nfs/dbraw/zinc/20/28/55/840202855.db2.gz AUHGEQPYUCEZIA-QGZVFWFLSA-N 2 1 385.533 3.703 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1Cl ZINC000416860931 840228283 /nfs/dbraw/zinc/22/82/83/840228283.db2.gz WGZZJLRJFVOTIQ-HXUWFJFHSA-N 2 1 388.943 3.503 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000418461282 840264000 /nfs/dbraw/zinc/26/40/00/840264000.db2.gz LMHJJXFAHLGPCH-SELNLUPBSA-N 2 1 394.563 3.901 20 0 GHADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1CC[NH2+]CC1 ZINC000416969575 840325577 /nfs/dbraw/zinc/32/55/77/840325577.db2.gz BWKVWVBEJXSPCJ-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417032284 840393819 /nfs/dbraw/zinc/39/38/19/840393819.db2.gz DVDQRULGWOVECT-PGRDOPGGSA-N 2 1 382.552 3.793 20 0 GHADMP CCN(C(=O)NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418552458 840470364 /nfs/dbraw/zinc/47/03/64/840470364.db2.gz KYSLMFPNMYIEHU-JPYJTQIMSA-N 2 1 392.547 3.657 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000364036011 840511852 /nfs/dbraw/zinc/51/18/52/840511852.db2.gz RKSAZWZKCGOCSQ-AZUAARDMSA-N 2 1 386.584 3.684 20 0 GHADMP CCCN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000417218757 840612972 /nfs/dbraw/zinc/61/29/72/840612972.db2.gz LUMHKYSDVBWLBB-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000178390951 840652664 /nfs/dbraw/zinc/65/26/64/840652664.db2.gz LAGSAOVWQWBRAA-SIKLNZKXSA-N 2 1 385.552 3.988 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000511789698 840759784 /nfs/dbraw/zinc/75/97/84/840759784.db2.gz VXOYOCKVOCVXHF-JOCHJYFZSA-N 2 1 379.548 3.779 20 0 GHADMP CC[N@@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581130463 840765434 /nfs/dbraw/zinc/76/54/34/840765434.db2.gz RUDMXWQEVPNKFI-XQSJEHCVSA-N 2 1 393.934 3.651 20 0 GHADMP CC[N@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581130463 840765441 /nfs/dbraw/zinc/76/54/41/840765441.db2.gz RUDMXWQEVPNKFI-XQSJEHCVSA-N 2 1 393.934 3.651 20 0 GHADMP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000417365725 840778173 /nfs/dbraw/zinc/77/81/73/840778173.db2.gz MJHPYNMYHLWCSK-LJQANCHMSA-N 2 1 392.613 3.511 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473505400 844575241 /nfs/dbraw/zinc/57/52/41/844575241.db2.gz IQUQGPLNYVQHTI-DEOSSOPVSA-N 2 1 394.563 3.911 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473505400 844575248 /nfs/dbraw/zinc/57/52/48/844575248.db2.gz IQUQGPLNYVQHTI-DEOSSOPVSA-N 2 1 394.563 3.911 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000581208225 840851554 /nfs/dbraw/zinc/85/15/54/840851554.db2.gz KFFFKALONPOIBW-MJGOQNOKSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000581208225 840851562 /nfs/dbraw/zinc/85/15/62/840851562.db2.gz KFFFKALONPOIBW-MJGOQNOKSA-N 2 1 385.939 3.713 20 0 GHADMP COC1CC[NH+](C2(CN[C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CCCC2)CC1 ZINC000548155797 840881289 /nfs/dbraw/zinc/88/12/89/840881289.db2.gz DDAXUNABAUHZIT-GMAHTHKFSA-N 2 1 399.623 3.910 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000544143132 840947034 /nfs/dbraw/zinc/94/70/34/840947034.db2.gz YQGYTMVQYLFDOL-AEFFLSMTSA-N 2 1 381.358 3.806 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000544143132 840947044 /nfs/dbraw/zinc/94/70/44/840947044.db2.gz YQGYTMVQYLFDOL-AEFFLSMTSA-N 2 1 381.358 3.806 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000544143132 840947054 /nfs/dbraw/zinc/94/70/54/840947054.db2.gz YQGYTMVQYLFDOL-AEFFLSMTSA-N 2 1 381.358 3.806 20 0 GHADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000430547920 840994388 /nfs/dbraw/zinc/99/43/88/840994388.db2.gz LLMIVWREBJQSKZ-UHFFFAOYSA-N 2 1 391.559 3.746 20 0 GHADMP O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674059 841087463 /nfs/dbraw/zinc/08/74/63/841087463.db2.gz LMDLYPDOJKKQEW-ILBGXUMGSA-N 2 1 394.559 3.696 20 0 GHADMP O[C@@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675301 841087897 /nfs/dbraw/zinc/08/78/97/841087897.db2.gz HYMTVSBCIWVJHC-FQEVSTJZSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430559197 841093241 /nfs/dbraw/zinc/09/32/41/841093241.db2.gz ZYGGFJHBSJUANL-YEWWUXTCSA-N 2 1 384.351 3.716 20 0 GHADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430559197 841093253 /nfs/dbraw/zinc/09/32/53/841093253.db2.gz ZYGGFJHBSJUANL-YEWWUXTCSA-N 2 1 384.351 3.716 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000417847758 841224079 /nfs/dbraw/zinc/22/40/79/841224079.db2.gz APBXETOMODVKSH-CVEARBPZSA-N 2 1 377.492 3.761 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000610504574 841339737 /nfs/dbraw/zinc/33/97/37/841339737.db2.gz DZQHJYMPYHRRSX-HXUWFJFHSA-N 2 1 383.502 3.738 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000500068800 841373089 /nfs/dbraw/zinc/37/30/89/841373089.db2.gz VBTMDQTWTFKZFQ-VWNXMTODSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000500068800 841373096 /nfs/dbraw/zinc/37/30/96/841373096.db2.gz VBTMDQTWTFKZFQ-VWNXMTODSA-N 2 1 383.580 3.766 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000500068800 841373105 /nfs/dbraw/zinc/37/31/05/841373105.db2.gz VBTMDQTWTFKZFQ-VWNXMTODSA-N 2 1 383.580 3.766 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC1(C)C ZINC000623551797 861195340 /nfs/dbraw/zinc/19/53/40/861195340.db2.gz ILBQGVAASJNUFO-LJQANCHMSA-N 2 1 394.401 3.876 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(O)ccc3Cl)CC2)CC1 ZINC000625225254 861216702 /nfs/dbraw/zinc/21/67/02/861216702.db2.gz UZZVYEUNOMPPTB-UHFFFAOYSA-N 2 1 379.976 3.674 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000730669841 861226185 /nfs/dbraw/zinc/22/61/85/861226185.db2.gz IBTSSQFZVPXHHI-QFIPXVFZSA-N 2 1 396.535 3.538 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000730669841 861226203 /nfs/dbraw/zinc/22/62/03/861226203.db2.gz IBTSSQFZVPXHHI-QFIPXVFZSA-N 2 1 396.535 3.538 20 0 GHADMP Fc1cccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000656790145 841924502 /nfs/dbraw/zinc/92/45/02/841924502.db2.gz KMISBZAJOFCDIX-VJBWXMMDSA-N 2 1 384.495 3.619 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000510447800 841989154 /nfs/dbraw/zinc/98/91/54/841989154.db2.gz ZAKDANQGGLMDAW-RTBURBONSA-N 2 1 390.572 3.649 20 0 GHADMP C[C@@H]1C[N@@H+](CCCNCc2cc(Br)ccc2Cl)CCCO1 ZINC000432358573 842165619 /nfs/dbraw/zinc/16/56/19/842165619.db2.gz PTSQRDKHUMBKKV-CYBMUJFWSA-N 2 1 375.738 3.693 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001167833467 842198036 /nfs/dbraw/zinc/19/80/36/842198036.db2.gz BMKXVNFKRNPIDS-GGAORHGYSA-N 2 1 375.601 3.720 20 0 GHADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000661898813 842297294 /nfs/dbraw/zinc/29/72/94/842297294.db2.gz SPRPSSJXIFRZRX-BJLQDIEVSA-N 2 1 392.613 3.551 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)s1 ZINC000512046260 842316373 /nfs/dbraw/zinc/31/63/73/842316373.db2.gz RRWKIGOFWUNDDD-UHFFFAOYSA-N 2 1 387.578 3.573 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000120318203 842402528 /nfs/dbraw/zinc/40/25/28/842402528.db2.gz TVWUBDQKCCSXSH-NRFANRHFSA-N 2 1 392.563 3.582 20 0 GHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432414808 842420473 /nfs/dbraw/zinc/42/04/73/842420473.db2.gz MHBFYJYIFSTVSK-CABCVRRESA-N 2 1 387.337 3.610 20 0 GHADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432414808 842420477 /nfs/dbraw/zinc/42/04/77/842420477.db2.gz MHBFYJYIFSTVSK-CABCVRRESA-N 2 1 387.337 3.610 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432416105 842426364 /nfs/dbraw/zinc/42/63/64/842426364.db2.gz FQWWRLJGYHQABM-HUUCEWRRSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432416105 842426369 /nfs/dbraw/zinc/42/63/69/842426369.db2.gz FQWWRLJGYHQABM-HUUCEWRRSA-N 2 1 387.337 3.610 20 0 GHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423192 842451710 /nfs/dbraw/zinc/45/17/10/842451710.db2.gz WXJAOHADNHDIKB-MOPGFXCFSA-N 2 1 390.572 3.712 20 0 GHADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432423192 842451717 /nfs/dbraw/zinc/45/17/17/842451717.db2.gz WXJAOHADNHDIKB-MOPGFXCFSA-N 2 1 390.572 3.712 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000662142340 842747903 /nfs/dbraw/zinc/74/79/03/842747903.db2.gz LSTCRZCWTBGZDW-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510499995 842788477 /nfs/dbraw/zinc/78/84/77/842788477.db2.gz JNMYYYQAOYGBQF-MOPGFXCFSA-N 2 1 378.605 3.593 20 0 GHADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000430721693 842883963 /nfs/dbraw/zinc/88/39/63/842883963.db2.gz DAGJREFANWLEML-VCYXJBJXSA-N 2 1 389.971 3.731 20 0 GHADMP CCC(CC)(CNC(=O)[C@H]([NH3+])c1ccccc1OC)[NH2+][C@H](C)c1ccccc1 ZINC000430724528 842901940 /nfs/dbraw/zinc/90/19/40/842901940.db2.gz NVAKPZUXHNKPNT-DYESRHJHSA-N 2 1 383.536 3.721 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430764345 842953056 /nfs/dbraw/zinc/95/30/56/842953056.db2.gz CHUQRZXSMDOUIL-SJLPKXTDSA-N 2 1 397.485 3.724 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2)Nc1ccccc1 ZINC000662251156 843010857 /nfs/dbraw/zinc/01/08/57/843010857.db2.gz AEJJNBWFWRRPTN-OAQYLSRUSA-N 2 1 378.520 3.509 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000152018023 843024221 /nfs/dbraw/zinc/02/42/21/843024221.db2.gz VZHSRBIEFQZVHQ-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662280147 843058010 /nfs/dbraw/zinc/05/80/10/843058010.db2.gz CXLBEYIXTRLDSN-RJGXRXQPSA-N 2 1 378.516 3.747 20 0 GHADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296543 843095037 /nfs/dbraw/zinc/09/50/37/843095037.db2.gz LVBABBXBTPEBJT-QFBILLFUSA-N 2 1 377.960 3.571 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000662388693 843169667 /nfs/dbraw/zinc/16/96/67/843169667.db2.gz SJDJSJVZYFXUFD-MBSDFSHPSA-N 2 1 377.532 3.912 20 0 GHADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000430964768 843275468 /nfs/dbraw/zinc/27/54/68/843275468.db2.gz GDTJFZVGBLBNQU-LLVKDONJSA-N 2 1 377.838 3.617 20 0 GHADMP COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)n2)cc1 ZINC000178710411 861399365 /nfs/dbraw/zinc/39/93/65/861399365.db2.gz NUXWXQZZQVZYPC-SFHVURJKSA-N 2 1 394.519 3.672 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NC1CCCCCC1 ZINC000432660490 843369553 /nfs/dbraw/zinc/36/95/53/843369553.db2.gz USMAMFSPWRECRJ-IBGZPJMESA-N 2 1 375.582 3.531 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NC1CCCCCC1 ZINC000432660490 843369563 /nfs/dbraw/zinc/36/95/63/843369563.db2.gz USMAMFSPWRECRJ-IBGZPJMESA-N 2 1 375.582 3.531 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000662514785 843369693 /nfs/dbraw/zinc/36/96/93/843369693.db2.gz RCJKOCLJKCLDLF-QNWVGRARSA-N 2 1 399.485 3.839 20 0 GHADMP CCN(C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000432673450 843421456 /nfs/dbraw/zinc/42/14/56/843421456.db2.gz XMOLHSILMKBJBK-HXUWFJFHSA-N 2 1 383.561 3.745 20 0 GHADMP CCN(C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000432673450 843421462 /nfs/dbraw/zinc/42/14/62/843421462.db2.gz XMOLHSILMKBJBK-HXUWFJFHSA-N 2 1 383.561 3.745 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675656 843510989 /nfs/dbraw/zinc/51/09/89/843510989.db2.gz PBBMVTXXTQEVAE-YCRPNKLZSA-N 2 1 387.474 3.655 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000662675656 843510997 /nfs/dbraw/zinc/51/09/97/843510997.db2.gz PBBMVTXXTQEVAE-YCRPNKLZSA-N 2 1 387.474 3.655 20 0 GHADMP CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000603942324 861429045 /nfs/dbraw/zinc/42/90/45/861429045.db2.gz IDWZLZCTWQQEOJ-XMMPIXPASA-N 2 1 391.559 3.908 20 0 GHADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)c1 ZINC000623709721 861440012 /nfs/dbraw/zinc/44/00/12/861440012.db2.gz GRSVYXRLKADQNI-BJKOFHAPSA-N 2 1 391.559 3.523 20 0 GHADMP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303127426 843699800 /nfs/dbraw/zinc/69/98/00/843699800.db2.gz BHXGDXNLWLEGED-FQEVSTJZSA-N 2 1 379.548 3.535 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000510899719 843762906 /nfs/dbraw/zinc/76/29/06/843762906.db2.gz QIZCMQBNEWCHDU-RTBURBONSA-N 2 1 397.567 3.559 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000500670576 843802309 /nfs/dbraw/zinc/80/23/09/843802309.db2.gz WFEPPZSMWLZJMX-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000500670576 843802317 /nfs/dbraw/zinc/80/23/17/843802317.db2.gz WFEPPZSMWLZJMX-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000500670576 843802326 /nfs/dbraw/zinc/80/23/26/843802326.db2.gz WFEPPZSMWLZJMX-YDLSIGKMSA-N 2 1 398.595 3.591 20 0 GHADMP COCC[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449251 843832166 /nfs/dbraw/zinc/83/21/66/843832166.db2.gz DPEFGQSJJHFGDM-DQEYMECFSA-N 2 1 393.575 3.656 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)cc2)C1 ZINC000500696108 843846865 /nfs/dbraw/zinc/84/68/65/843846865.db2.gz FRWNVQHXBHOXSJ-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)C1 ZINC000500696108 843846874 /nfs/dbraw/zinc/84/68/74/843846874.db2.gz FRWNVQHXBHOXSJ-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)C1 ZINC000500696108 843846882 /nfs/dbraw/zinc/84/68/82/843846882.db2.gz FRWNVQHXBHOXSJ-VNHKHXMHSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000433212548 843861323 /nfs/dbraw/zinc/86/13/23/843861323.db2.gz JUBBPBZDEOACBM-HXUWFJFHSA-N 2 1 395.591 3.764 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000179102928 861470300 /nfs/dbraw/zinc/47/03/00/861470300.db2.gz BZEHIXAWUKCRNC-PKTZIBPZSA-N 2 1 392.547 3.527 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000432819069 843958850 /nfs/dbraw/zinc/95/88/50/843958850.db2.gz NLDGELHZVPDJRZ-TXTKFYIRSA-N 2 1 383.580 3.729 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1F ZINC000458273178 844776031 /nfs/dbraw/zinc/77/60/31/844776031.db2.gz AFFGSXRREBTKOZ-LJQANCHMSA-N 2 1 377.504 3.502 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000428737580 844787270 /nfs/dbraw/zinc/78/72/70/844787270.db2.gz YMSQQJFWSSJKJV-UHFFFAOYSA-N 2 1 398.378 3.773 20 0 GHADMP Cc1ccsc1C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000042473967 844922114 /nfs/dbraw/zinc/92/21/14/844922114.db2.gz OSUNCWAZAPMOHP-SFHVURJKSA-N 2 1 385.577 3.658 20 0 GHADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433068336 845155178 /nfs/dbraw/zinc/15/51/78/845155178.db2.gz OSCJYBZERNRTLQ-XMMPIXPASA-N 2 1 378.560 3.968 20 0 GHADMP C[C@@H]1C[C@H](CCNc2cc(N3CCSCC3)ncn2)C[N@H+]1Cc1ccccc1 ZINC000433765396 845331689 /nfs/dbraw/zinc/33/16/89/845331689.db2.gz HUHQFOPCJWIRTG-QUCCMNQESA-N 2 1 397.592 3.742 20 0 GHADMP CC(CCN1CCC2(CCC[NH+]2C)CC1)CCN1CCC2(CCC[N@H+]2C)CC1 ZINC000411448449 845450241 /nfs/dbraw/zinc/45/02/41/845450241.db2.gz RISGMZIBCBFIAP-UHFFFAOYSA-N 2 1 390.660 3.523 20 0 GHADMP O=C(C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cc(F)cc(F)c1 ZINC000433125091 845456456 /nfs/dbraw/zinc/45/64/56/845456456.db2.gz IJDCHOZYKXFEBY-UHFFFAOYSA-N 2 1 399.485 3.891 20 0 GHADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Nc1cc(F)cc(F)c1 ZINC000433125091 845456461 /nfs/dbraw/zinc/45/64/61/845456461.db2.gz IJDCHOZYKXFEBY-UHFFFAOYSA-N 2 1 399.485 3.891 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3OC)C2)CC1 ZINC000513478579 845515642 /nfs/dbraw/zinc/51/56/42/845515642.db2.gz DWWJHLMMNXUFPA-QHCPKHFHSA-N 2 1 379.548 3.574 20 0 GHADMP C[C@H]1C[C@@H](CC[NH2+]Cc2nccn2CC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000513505290 845541521 /nfs/dbraw/zinc/54/15/21/845541521.db2.gz JEWMUYOCGIQYIJ-FUHWJXTLSA-N 2 1 380.458 3.836 20 0 GHADMP Cn1c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2oc1=O ZINC000513543068 845635193 /nfs/dbraw/zinc/63/51/93/845635193.db2.gz OEALHIYFGFCRDT-NRFANRHFSA-N 2 1 379.504 3.522 20 0 GHADMP Cn1c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc2oc1=O ZINC000513543068 845635198 /nfs/dbraw/zinc/63/51/98/845635198.db2.gz OEALHIYFGFCRDT-NRFANRHFSA-N 2 1 379.504 3.522 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000472086066 845767811 /nfs/dbraw/zinc/76/78/11/845767811.db2.gz UZAWXKSPMKYPIC-RBBKRZOGSA-N 2 1 388.600 3.803 20 0 GHADMP CCC[C@]1(C)CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC001167508816 845819810 /nfs/dbraw/zinc/81/98/10/845819810.db2.gz JFUYFSZTQYQQIQ-XMMPIXPASA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@]1(C)CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC001167508816 845819814 /nfs/dbraw/zinc/81/98/14/845819814.db2.gz JFUYFSZTQYQQIQ-XMMPIXPASA-N 2 1 385.596 3.932 20 0 GHADMP CCC[C@]1(C)CCC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC001167508816 845819822 /nfs/dbraw/zinc/81/98/22/845819822.db2.gz JFUYFSZTQYQQIQ-XMMPIXPASA-N 2 1 385.596 3.932 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000511045729 845898514 /nfs/dbraw/zinc/89/85/14/845898514.db2.gz FDWZJJTUPPZIGC-RTBURBONSA-N 2 1 389.584 3.535 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000511045729 845898522 /nfs/dbraw/zinc/89/85/22/845898522.db2.gz FDWZJJTUPPZIGC-RTBURBONSA-N 2 1 389.584 3.535 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657314154 846063923 /nfs/dbraw/zinc/06/39/23/846063923.db2.gz SFSQBQNBUXGZTC-DEOSSOPVSA-N 2 1 380.532 3.917 20 0 GHADMP Cc1cnc(Cl)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000892151326 846071998 /nfs/dbraw/zinc/07/19/98/846071998.db2.gz QYUJXHVQWIRWAM-UHFFFAOYSA-N 2 1 378.992 3.672 20 0 GHADMP Cc1cnc(Cl)c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000892151326 846072007 /nfs/dbraw/zinc/07/20/07/846072007.db2.gz QYUJXHVQWIRWAM-UHFFFAOYSA-N 2 1 378.992 3.672 20 0 GHADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421361339 846174200 /nfs/dbraw/zinc/17/42/00/846174200.db2.gz GRQSYKUSXMGAAH-QHCPKHFHSA-N 2 1 396.579 3.992 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000513667179 846214055 /nfs/dbraw/zinc/21/40/55/846214055.db2.gz PVOGZWZOYFPKFA-UNWVZKJWSA-N 2 1 396.579 3.772 20 0 GHADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513667179 846214064 /nfs/dbraw/zinc/21/40/64/846214064.db2.gz PVOGZWZOYFPKFA-UNWVZKJWSA-N 2 1 396.579 3.772 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000072085641 846390191 /nfs/dbraw/zinc/39/01/91/846390191.db2.gz GHWODLHNOKCIKO-IYBDPMFKSA-N 2 1 381.358 3.770 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(Br)c3)CC2)C[C@H](C)O1 ZINC000072085641 846390198 /nfs/dbraw/zinc/39/01/98/846390198.db2.gz GHWODLHNOKCIKO-IYBDPMFKSA-N 2 1 381.358 3.770 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000501011909 846540041 /nfs/dbraw/zinc/54/00/41/846540041.db2.gz SVFRCXCIEXURNC-IBGZPJMESA-N 2 1 383.502 3.911 20 0 GHADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000501046188 846573033 /nfs/dbraw/zinc/57/30/33/846573033.db2.gz LNZXMAKAECNQLP-IBGZPJMESA-N 2 1 380.536 3.874 20 0 GHADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501113886 846660805 /nfs/dbraw/zinc/66/08/05/846660805.db2.gz OYCPRDMCNNPPAG-FGTMMUONSA-N 2 1 381.511 3.839 20 0 GHADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501113886 846660812 /nfs/dbraw/zinc/66/08/12/846660812.db2.gz OYCPRDMCNNPPAG-FGTMMUONSA-N 2 1 381.511 3.839 20 0 GHADMP OC[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccc(F)cc1 ZINC000582240889 846697500 /nfs/dbraw/zinc/69/75/00/846697500.db2.gz RCHOVGDSSBZVOC-FYYLOGMGSA-N 2 1 382.523 3.764 20 0 GHADMP OC[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccc(F)cc1 ZINC000582240889 846697508 /nfs/dbraw/zinc/69/75/08/846697508.db2.gz RCHOVGDSSBZVOC-FYYLOGMGSA-N 2 1 382.523 3.764 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000503072870 846774348 /nfs/dbraw/zinc/77/43/48/846774348.db2.gz DVEZTDSAQPAVNT-QHCPKHFHSA-N 2 1 382.552 3.951 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000503072870 846774355 /nfs/dbraw/zinc/77/43/55/846774355.db2.gz DVEZTDSAQPAVNT-QHCPKHFHSA-N 2 1 382.552 3.951 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000501399093 846891350 /nfs/dbraw/zinc/89/13/50/846891350.db2.gz KSKCCGQJCZGYKC-VKAVYKQESA-N 2 1 383.502 3.972 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000604083537 861739229 /nfs/dbraw/zinc/73/92/29/861739229.db2.gz OUJCXFCZONGAKQ-PKTZIBPZSA-N 2 1 394.563 3.562 20 0 GHADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501663266 847083788 /nfs/dbraw/zinc/08/37/88/847083788.db2.gz AUSQKLSTLHGSRZ-LEWJYISDSA-N 2 1 397.567 3.744 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)cc1 ZINC000420296401 847090298 /nfs/dbraw/zinc/09/02/98/847090298.db2.gz DMGPUHYHGNQOTJ-HWELCPFYSA-N 2 1 398.547 3.552 20 0 GHADMP C[C@@H](Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272753654 847163491 /nfs/dbraw/zinc/16/34/91/847163491.db2.gz KDCUMNMFJTWBKA-IFMALSPDSA-N 2 1 393.575 3.966 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C ZINC000272902205 847203129 /nfs/dbraw/zinc/20/31/29/847203129.db2.gz KKJJUKZYGWUUNK-AVRDEDQJSA-N 2 1 395.547 3.552 20 0 GHADMP CC(C)[N@@H+]1CCO[C@@H](c2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)C1 ZINC000420480323 847236817 /nfs/dbraw/zinc/23/68/17/847236817.db2.gz JQHJWLRKEJUNCX-HXUWFJFHSA-N 2 1 384.524 3.750 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](c2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)C1 ZINC000420480323 847236831 /nfs/dbraw/zinc/23/68/31/847236831.db2.gz JQHJWLRKEJUNCX-HXUWFJFHSA-N 2 1 384.524 3.750 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657431803 847260793 /nfs/dbraw/zinc/26/07/93/847260793.db2.gz KBGGRKRXTLEMMS-YTQUADARSA-N 2 1 392.469 3.829 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657431803 847260800 /nfs/dbraw/zinc/26/08/00/847260800.db2.gz KBGGRKRXTLEMMS-YTQUADARSA-N 2 1 392.469 3.829 20 0 GHADMP c1ccc(CCOC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420905201 847522074 /nfs/dbraw/zinc/52/20/74/847522074.db2.gz QOXDZXSHRFCGNO-UHFFFAOYSA-N 2 1 394.559 3.743 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](OC)c3ccc(Cl)cc3)CC2)CC1 ZINC000420976796 847604450 /nfs/dbraw/zinc/60/44/50/847604450.db2.gz HFCHUNRMXYKGTQ-OAQYLSRUSA-N 2 1 379.976 3.520 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(C4CC4)nc4sccn34)CC2)C[C@H](C)O1 ZINC000179883955 861830323 /nfs/dbraw/zinc/83/03/23/861830323.db2.gz VSOMGZMBKJBOLK-IYBDPMFKSA-N 2 1 388.581 3.594 20 0 GHADMP C[C@H](NC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758343 847801531 /nfs/dbraw/zinc/80/15/31/847801531.db2.gz IWASEHATMLTYBF-FCJDFRRUSA-N 2 1 385.596 3.787 20 0 GHADMP c1cc(-c2nc3ccccc3s2)oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422858453 847857727 /nfs/dbraw/zinc/85/77/27/847857727.db2.gz IRVSJHFLJHXVFU-IXDOHACOSA-N 2 1 383.517 3.803 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911547 847884364 /nfs/dbraw/zinc/88/43/64/847884364.db2.gz KYHJRNGHOCFASP-ISKFKSNPSA-N 3 1 379.548 3.872 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911547 847884375 /nfs/dbraw/zinc/88/43/75/847884375.db2.gz KYHJRNGHOCFASP-ISKFKSNPSA-N 2 1 379.548 3.872 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422911547 847884386 /nfs/dbraw/zinc/88/43/86/847884386.db2.gz KYHJRNGHOCFASP-ISKFKSNPSA-N 2 1 379.548 3.872 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000422892502 847888034 /nfs/dbraw/zinc/88/80/34/847888034.db2.gz NDCONTXVLGSJRZ-WMQCIHAUSA-N 2 1 384.520 3.864 20 0 GHADMP Brc1ccsc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422945986 847909480 /nfs/dbraw/zinc/90/94/80/847909480.db2.gz OBMYAJXRQVRDMF-PBHICJAKSA-N 2 1 379.323 3.856 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1I ZINC000423096053 847977257 /nfs/dbraw/zinc/97/72/57/847977257.db2.gz NWDGYXVADRVHHL-IAGOWNOFSA-N 2 1 378.257 3.834 20 0 GHADMP Cc1ccc(NCCCNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000116435622 847993821 /nfs/dbraw/zinc/99/38/21/847993821.db2.gz IZCUFBSTTLXXLH-IBGZPJMESA-N 2 1 395.551 3.717 20 0 GHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000075324782 848170319 /nfs/dbraw/zinc/17/03/19/848170319.db2.gz OWHDOODQXNJINB-FYYLOGMGSA-N 2 1 379.548 3.660 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000075324782 848170322 /nfs/dbraw/zinc/17/03/22/848170322.db2.gz OWHDOODQXNJINB-FYYLOGMGSA-N 2 1 379.548 3.660 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628158333 848386729 /nfs/dbraw/zinc/38/67/29/848386729.db2.gz LFBKEIXYORHWDN-HDICACEKSA-N 2 1 383.502 3.738 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000472263640 848417254 /nfs/dbraw/zinc/41/72/54/848417254.db2.gz NWGIIIKHSATWCC-GOSISDBHSA-N 2 1 389.565 3.751 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000472263640 848417258 /nfs/dbraw/zinc/41/72/58/848417258.db2.gz NWGIIIKHSATWCC-GOSISDBHSA-N 2 1 389.565 3.751 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168743893 861919328 /nfs/dbraw/zinc/91/93/28/861919328.db2.gz NPXAHTIKHKDFFO-HXUWFJFHSA-N 2 1 378.004 3.937 20 0 GHADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)Nc1cccc(F)c1 ZINC000582993829 848843902 /nfs/dbraw/zinc/84/39/02/848843902.db2.gz ZBBCXGJVURCLCP-UXHICEINSA-N 2 1 381.495 3.608 20 0 GHADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1cccc(F)c1 ZINC000582993829 848843907 /nfs/dbraw/zinc/84/39/07/848843907.db2.gz ZBBCXGJVURCLCP-UXHICEINSA-N 2 1 381.495 3.608 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)OCCCO4)CC2)nc(C)[nH+]1 ZINC000162262590 848879183 /nfs/dbraw/zinc/87/91/83/848879183.db2.gz DKGJLIQLSWWVGU-MRXNPFEDSA-N 2 1 382.508 3.574 20 0 GHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000481658572 861964603 /nfs/dbraw/zinc/96/46/03/861964603.db2.gz NSMJBTBLUZPEDN-UTKZUKDTSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000481658572 861964607 /nfs/dbraw/zinc/96/46/07/861964607.db2.gz NSMJBTBLUZPEDN-UTKZUKDTSA-N 2 1 392.465 3.863 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604206437 861990669 /nfs/dbraw/zinc/99/06/69/861990669.db2.gz QDQLEPLGTSSMDN-NRFANRHFSA-N 2 1 386.584 3.729 20 0 GHADMP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000604209275 861994415 /nfs/dbraw/zinc/99/44/15/861994415.db2.gz NKPFTUPXAPRECU-MDNUFGMLSA-N 2 1 398.595 3.523 20 0 GHADMP CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604209275 861994428 /nfs/dbraw/zinc/99/44/28/861994428.db2.gz NKPFTUPXAPRECU-MDNUFGMLSA-N 2 1 398.595 3.523 20 0 GHADMP CCCCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H](C)c1ccccc1 ZINC000604209310 861995632 /nfs/dbraw/zinc/99/56/32/861995632.db2.gz RKHYIHLGWGKPCA-CTNGQTDRSA-N 2 1 386.584 3.728 20 0 GHADMP CCCCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)c1ccccc1 ZINC000604209310 861995637 /nfs/dbraw/zinc/99/56/37/861995637.db2.gz RKHYIHLGWGKPCA-CTNGQTDRSA-N 2 1 386.584 3.728 20 0 GHADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(c1ccccc1)c1ccccc1 ZINC000150818590 849302915 /nfs/dbraw/zinc/30/29/15/849302915.db2.gz OCCWTAGEUYZBDG-NRFANRHFSA-N 2 1 391.559 3.700 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000154877896 849393086 /nfs/dbraw/zinc/39/30/86/849393086.db2.gz DCKAZUIFFYYQOM-RDPSFJRHSA-N 2 1 380.580 3.922 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000125876071 849608421 /nfs/dbraw/zinc/60/84/21/849608421.db2.gz WFVJTNJFPDKDLJ-HNNXBMFYSA-N 2 1 386.353 3.657 20 0 GHADMP Fc1ccc(C(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(F)cc2)cc1 ZINC000657750954 849621801 /nfs/dbraw/zinc/62/18/01/849621801.db2.gz FLAOBLCCKHZBKD-QFIPXVFZSA-N 2 1 386.486 3.940 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(C(=O)c3ccccc3Cl)CC1)C2 ZINC000126408238 849725005 /nfs/dbraw/zinc/72/50/05/849725005.db2.gz LFPBULULWKVFBC-AYHJJNSGSA-N 2 1 375.944 3.550 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(C(=O)c3ccccc3Cl)CC1)C2 ZINC000126408238 849725009 /nfs/dbraw/zinc/72/50/09/849725009.db2.gz LFPBULULWKVFBC-AYHJJNSGSA-N 2 1 375.944 3.550 20 0 GHADMP Brc1sccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423114906 849745947 /nfs/dbraw/zinc/74/59/47/849745947.db2.gz MMOWFCPFDUKSAE-RHSMWYFYSA-N 2 1 379.323 3.856 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000423148433 849760558 /nfs/dbraw/zinc/76/05/58/849760558.db2.gz GAGACZVMJAEDLK-MBSDFSHPSA-N 2 1 386.584 3.510 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000423148432 849760876 /nfs/dbraw/zinc/76/08/76/849760876.db2.gz GAGACZVMJAEDLK-JPYJTQIMSA-N 2 1 386.584 3.510 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1)C[C@@H]1CCCCO1 ZINC000425331042 850335301 /nfs/dbraw/zinc/33/53/01/850335301.db2.gz BKQNRNQOZMGZOS-QFIPXVFZSA-N 2 1 399.583 3.878 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1)C[C@@H]1CCCCO1 ZINC000425331042 850335312 /nfs/dbraw/zinc/33/53/12/850335312.db2.gz BKQNRNQOZMGZOS-QFIPXVFZSA-N 2 1 399.583 3.878 20 0 GHADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000435381660 850445409 /nfs/dbraw/zinc/44/54/09/850445409.db2.gz XHPTXDOZARWVCS-HXUWFJFHSA-N 2 1 390.531 3.648 20 0 GHADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000435381660 850445416 /nfs/dbraw/zinc/44/54/16/850445416.db2.gz XHPTXDOZARWVCS-HXUWFJFHSA-N 2 1 390.531 3.648 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000424461588 850474045 /nfs/dbraw/zinc/47/40/45/850474045.db2.gz LGGHNOHDNCBIKC-QZTJIDSGSA-N 2 1 399.366 3.527 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C)c(S(C)(=O)=O)c2)cc1 ZINC000519033701 850522508 /nfs/dbraw/zinc/52/25/08/850522508.db2.gz ZMNZLWSFVBHXRM-INIZCTEOSA-N 2 1 383.517 3.743 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000519043116 850545575 /nfs/dbraw/zinc/54/55/75/850545575.db2.gz LNELNXYUOBGAEL-ZHALLVOQSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000519043116 850545587 /nfs/dbraw/zinc/54/55/87/850545587.db2.gz LNELNXYUOBGAEL-ZHALLVOQSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000519043116 850545597 /nfs/dbraw/zinc/54/55/97/850545597.db2.gz LNELNXYUOBGAEL-ZHALLVOQSA-N 2 1 380.602 3.551 20 0 GHADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000414800385 850556848 /nfs/dbraw/zinc/55/68/48/850556848.db2.gz HVZKSHKYTZSFFJ-UHFFFAOYSA-N 2 1 381.261 3.666 20 0 GHADMP Cc1cc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn2cc[nH+]c12 ZINC000514996828 850565335 /nfs/dbraw/zinc/56/53/35/850565335.db2.gz LIVYRXQUDQNJQV-UHFFFAOYSA-N 2 1 395.429 3.570 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439958084 850628715 /nfs/dbraw/zinc/62/87/15/850628715.db2.gz LWDDEPAWYHNAAK-QHCPKHFHSA-N 2 1 395.547 3.935 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439958084 850628725 /nfs/dbraw/zinc/62/87/25/850628725.db2.gz LWDDEPAWYHNAAK-QHCPKHFHSA-N 2 1 395.547 3.935 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439958084 850628731 /nfs/dbraw/zinc/62/87/31/850628731.db2.gz LWDDEPAWYHNAAK-QHCPKHFHSA-N 2 1 395.547 3.935 20 0 GHADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439958084 850628739 /nfs/dbraw/zinc/62/87/39/850628739.db2.gz LWDDEPAWYHNAAK-QHCPKHFHSA-N 2 1 395.547 3.935 20 0 GHADMP CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435622597 850706471 /nfs/dbraw/zinc/70/64/71/850706471.db2.gz DRPSSTANPCRWBX-CVDCTZTESA-N 2 1 397.588 3.686 20 0 GHADMP CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435622597 850706478 /nfs/dbraw/zinc/70/64/78/850706478.db2.gz DRPSSTANPCRWBX-CVDCTZTESA-N 2 1 397.588 3.686 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C(C)(C)C ZINC000522613449 862181873 /nfs/dbraw/zinc/18/18/73/862181873.db2.gz PBUGZTBFOIKWJV-MSOLQXFVSA-N 2 1 382.980 3.608 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000487858503 850937933 /nfs/dbraw/zinc/93/79/33/850937933.db2.gz MKDHPALZUFLEAC-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000513891888 850983439 /nfs/dbraw/zinc/98/34/39/850983439.db2.gz NWAUPDDJYADQRC-PZJWPPBQSA-N 2 1 386.584 3.633 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513912328 851014523 /nfs/dbraw/zinc/01/45/23/851014523.db2.gz BJBHZXQOTJYJMB-HXUWFJFHSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513912328 851014533 /nfs/dbraw/zinc/01/45/33/851014533.db2.gz BJBHZXQOTJYJMB-HXUWFJFHSA-N 2 1 382.552 3.814 20 0 GHADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH+]3C3CCCC3)sc2C1 ZINC000425075489 851044729 /nfs/dbraw/zinc/04/47/29/851044729.db2.gz DQUCIJQTXBJPSI-INIZCTEOSA-N 2 1 376.570 3.645 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)sc2C1 ZINC000425075489 851044734 /nfs/dbraw/zinc/04/47/34/851044734.db2.gz DQUCIJQTXBJPSI-INIZCTEOSA-N 2 1 376.570 3.645 20 0 GHADMP CC(C)(C)[NH+]1CCc2nc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)sc2C1 ZINC000425075489 851044741 /nfs/dbraw/zinc/04/47/41/851044741.db2.gz DQUCIJQTXBJPSI-INIZCTEOSA-N 2 1 376.570 3.645 20 0 GHADMP Cc1ccc(C(C)(C)C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000426635430 851085228 /nfs/dbraw/zinc/08/52/28/851085228.db2.gz ALXKRUPFZBPPBB-UHFFFAOYSA-N 2 1 399.623 3.927 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000555927679 862207374 /nfs/dbraw/zinc/20/73/74/862207374.db2.gz FJOMSSZNLRDOSK-UXHICEINSA-N 2 1 384.430 3.566 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000555927679 862207390 /nfs/dbraw/zinc/20/73/90/862207390.db2.gz FJOMSSZNLRDOSK-UXHICEINSA-N 2 1 384.430 3.566 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc(-c3ccc(Cl)cc3)s1)CCO2 ZINC000648072213 862207853 /nfs/dbraw/zinc/20/78/53/862207853.db2.gz RBUDGAOUYZYHKN-UHFFFAOYSA-N 2 1 377.941 3.760 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc(-c3ccc(Cl)cc3)s1)CCO2 ZINC000648072213 862207870 /nfs/dbraw/zinc/20/78/70/862207870.db2.gz RBUDGAOUYZYHKN-UHFFFAOYSA-N 2 1 377.941 3.760 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)NCc1ccccc1 ZINC000515522735 851153672 /nfs/dbraw/zinc/15/36/72/851153672.db2.gz HWGFJIMFUDELOD-HBMCJLEFSA-N 2 1 393.575 3.959 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)c2cccs2)CC1 ZINC000514072282 851192182 /nfs/dbraw/zinc/19/21/82/851192182.db2.gz BNNISUXDFLUVDH-HXUWFJFHSA-N 2 1 385.577 3.769 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)c2cccs2)CC1 ZINC000514072282 851192186 /nfs/dbraw/zinc/19/21/86/851192186.db2.gz BNNISUXDFLUVDH-HXUWFJFHSA-N 2 1 385.577 3.769 20 0 GHADMP COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414879914 851267646 /nfs/dbraw/zinc/26/76/46/851267646.db2.gz QABUWGVVROLPPZ-UHFFFAOYSA-N 2 1 392.503 3.528 20 0 GHADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000550079414 851425272 /nfs/dbraw/zinc/42/52/72/851425272.db2.gz KMKQFOYNVHLWSA-SIKLNZKXSA-N 2 1 388.552 3.511 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)N1CCc2ccccc21 ZINC000515757057 851437277 /nfs/dbraw/zinc/43/72/77/851437277.db2.gz OAUQCSNVDLHINQ-WOJBJXKFSA-N 2 1 391.559 3.986 20 0 GHADMP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1)N1CCCCC1 ZINC000436313364 851448589 /nfs/dbraw/zinc/44/85/89/851448589.db2.gz LQPUGKUJWIZODC-URYYLNOGSA-N 2 1 395.591 3.668 20 0 GHADMP COc1ccc(Br)cc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960769 851560551 /nfs/dbraw/zinc/56/05/51/851560551.db2.gz BXGSFKLFLOTGSF-YQQQUEKLSA-N 2 1 393.369 3.995 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc3ccccc3)C1)OCCO2 ZINC000894554389 851700662 /nfs/dbraw/zinc/70/06/62/851700662.db2.gz AUUGXIADYLHRFH-HBMCJLEFSA-N 2 1 376.516 3.512 20 0 GHADMP CC[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550144794 851743778 /nfs/dbraw/zinc/74/37/78/851743778.db2.gz LODNGFJDQPEJJM-QFIPXVFZSA-N 2 1 399.604 3.987 20 0 GHADMP CC(C)c1ncc(CN(C)C/C=C\C[N@@H+](C)Cc2cnc(C(C)C)nc2)cn1 ZINC000440463288 851876830 /nfs/dbraw/zinc/87/68/30/851876830.db2.gz PBHAAKDXDCIMIU-FPLPWBNLSA-N 2 1 382.556 3.633 20 0 GHADMP CO[C@H](C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000664837587 851880079 /nfs/dbraw/zinc/88/00/79/851880079.db2.gz PRQBKMQPODLCTP-ZLNRFVROSA-N 2 1 386.580 3.661 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000489060208 851975461 /nfs/dbraw/zinc/97/54/61/851975461.db2.gz KUUDXEFRAGSVED-PMACEKPBSA-N 2 1 398.595 3.728 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000517503478 852038778 /nfs/dbraw/zinc/03/87/78/852038778.db2.gz SSMRGYMIABGTPP-UHFFFAOYSA-N 2 1 385.596 3.750 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167962431 852042672 /nfs/dbraw/zinc/04/26/72/852042672.db2.gz XSMSXKXQWOKRBV-LJRDSGNISA-N 2 1 377.573 3.817 20 0 GHADMP CCCNc1ccccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638271287 852065966 /nfs/dbraw/zinc/06/59/66/852065966.db2.gz OJISXMNTYCVSNH-UHFFFAOYSA-N 2 1 380.536 3.831 20 0 GHADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489200289 852109686 /nfs/dbraw/zinc/10/96/86/852109686.db2.gz FZGCEJODCOASGR-BGYRXZFFSA-N 2 1 386.584 3.555 20 0 GHADMP c1[nH]nc2c1cccc2C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000550269151 852228246 /nfs/dbraw/zinc/22/82/46/852228246.db2.gz BLVBGRXYJUUOJG-QFIPXVFZSA-N 2 1 390.531 3.581 20 0 GHADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCCC1 ZINC000426797407 852408044 /nfs/dbraw/zinc/40/80/44/852408044.db2.gz FFWJXEDCIKCULY-HKUYNNGSSA-N 2 1 377.598 3.759 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)CCC(F)(F)F ZINC000426037393 852481288 /nfs/dbraw/zinc/48/12/88/852481288.db2.gz UUAJUVBYDWMLOC-HSALFYBXSA-N 2 1 383.502 3.761 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000516467761 852618718 /nfs/dbraw/zinc/61/87/18/852618718.db2.gz IRRIVXVMBGZXMU-MZKRTTBSSA-N 2 1 393.531 3.697 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598799 852781553 /nfs/dbraw/zinc/78/15/53/852781553.db2.gz HYVNMHDSEDRKEM-WXFUMESZSA-N 2 1 397.607 3.541 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519598799 852781557 /nfs/dbraw/zinc/78/15/57/852781557.db2.gz HYVNMHDSEDRKEM-WXFUMESZSA-N 2 1 397.607 3.541 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000506338988 852797444 /nfs/dbraw/zinc/79/74/44/852797444.db2.gz BRFVLHRCKFYLKA-XMMPIXPASA-N 2 1 379.548 3.791 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000506338988 852797451 /nfs/dbraw/zinc/79/74/51/852797451.db2.gz BRFVLHRCKFYLKA-XMMPIXPASA-N 2 1 379.548 3.791 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947002 852820175 /nfs/dbraw/zinc/82/01/75/852820175.db2.gz KFKYHZJNZZIODK-RHSMWYFYSA-N 2 1 391.357 3.988 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414953973 852866831 /nfs/dbraw/zinc/86/68/31/852866831.db2.gz SDJREBUEGNXWIU-HIFRSBDPSA-N 2 1 385.346 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1 ZINC001167986446 853084997 /nfs/dbraw/zinc/08/49/97/853084997.db2.gz FHYDTOJCIBFYTH-QNLWVQNGSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167986446 853085004 /nfs/dbraw/zinc/08/50/04/853085004.db2.gz FHYDTOJCIBFYTH-QNLWVQNGSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167986446 853085009 /nfs/dbraw/zinc/08/50/09/853085009.db2.gz FHYDTOJCIBFYTH-QNLWVQNGSA-N 2 1 389.584 3.725 20 0 GHADMP CC(C)CCc1nc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000543522293 862433634 /nfs/dbraw/zinc/43/36/34/862433634.db2.gz GDJKJLBUXCONBA-UHFFFAOYSA-N 2 1 378.630 3.581 20 0 GHADMP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000414907442 853218327 /nfs/dbraw/zinc/21/83/27/853218327.db2.gz QNENVAMRJHPUTR-MRXNPFEDSA-N 2 1 393.272 3.538 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472358 853223934 /nfs/dbraw/zinc/22/39/34/853223934.db2.gz TVTFSNSWVQOPHY-WOJBJXKFSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472358 853223944 /nfs/dbraw/zinc/22/39/44/853223944.db2.gz TVTFSNSWVQOPHY-WOJBJXKFSA-N 2 1 397.563 3.649 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000506472358 853223950 /nfs/dbraw/zinc/22/39/50/853223950.db2.gz TVTFSNSWVQOPHY-WOJBJXKFSA-N 2 1 397.563 3.649 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](c4ccccc4)C[C@@H]3C)CC2)CC1 ZINC000519700700 853385525 /nfs/dbraw/zinc/38/55/25/853385525.db2.gz GHXNNEHZXOCMAD-UGKGYDQZSA-N 2 1 383.580 3.587 20 0 GHADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc2C1 ZINC000491025578 853403858 /nfs/dbraw/zinc/40/38/58/853403858.db2.gz VYFVWPLOYBKALD-WIOPSUGQSA-N 2 1 391.559 3.634 20 0 GHADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623858352 862460658 /nfs/dbraw/zinc/46/06/58/862460658.db2.gz JOMHOGYIRTZCLZ-GOSISDBHSA-N 2 1 389.565 3.868 20 0 GHADMP CN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000458853820 853421768 /nfs/dbraw/zinc/42/17/68/853421768.db2.gz OZWROXDEYIJTQQ-QFIPXVFZSA-N 2 1 386.584 3.559 20 0 GHADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)c2cc1C ZINC000491059815 853431078 /nfs/dbraw/zinc/43/10/78/853431078.db2.gz JIJPCNXVZOGZRC-YADHBBJMSA-N 2 1 398.595 3.602 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CCn3cc[nH+]c3C(C)C)C2)s1 ZINC000519792650 853474598 /nfs/dbraw/zinc/47/45/98/853474598.db2.gz PNIDVSNYPUQHCY-GOSISDBHSA-N 2 1 388.581 3.747 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCn3cc[nH+]c3C(C)C)C2)s1 ZINC000519792650 853474603 /nfs/dbraw/zinc/47/46/03/853474603.db2.gz PNIDVSNYPUQHCY-GOSISDBHSA-N 2 1 388.581 3.747 20 0 GHADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1cccc(Br)c1 ZINC000604774459 862471446 /nfs/dbraw/zinc/47/14/46/862471446.db2.gz WFPPXARNJWAGEY-CZUORRHYSA-N 2 1 384.362 3.732 20 0 GHADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425893160 853512592 /nfs/dbraw/zinc/51/25/92/853512592.db2.gz BHBYXKOWIWWAIP-UHFFFAOYSA-N 2 1 393.535 3.742 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc2)C1 ZINC000519845698 853539061 /nfs/dbraw/zinc/53/90/61/853539061.db2.gz JUXHMJJSLLJYSW-HXUWFJFHSA-N 2 1 399.579 3.892 20 0 GHADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506559244 853612176 /nfs/dbraw/zinc/61/21/76/853612176.db2.gz BFTFENFYIKWYHR-SFTDATJTSA-N 2 1 387.612 3.853 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000414998536 853650094 /nfs/dbraw/zinc/65/00/94/853650094.db2.gz ICTZAUNZQPDNJA-QOFIPBISSA-N 2 1 381.539 3.944 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440826917 853680337 /nfs/dbraw/zinc/68/03/37/853680337.db2.gz WBCYNNNBNIKCHB-ZDUSSCGKSA-N 2 1 399.436 3.560 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377746 853680611 /nfs/dbraw/zinc/68/06/11/853680611.db2.gz HDWUQSOETKCWPW-DENIHFKCSA-N 2 1 395.563 3.532 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2Sc2ccc(F)cc2)CC1 ZINC000623888381 862502013 /nfs/dbraw/zinc/50/20/13/862502013.db2.gz DUTXNUXSSXVOHK-SFTDATJTSA-N 2 1 379.589 3.846 20 0 GHADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000441060827 853862254 /nfs/dbraw/zinc/86/22/54/853862254.db2.gz KLMTXROHIKEDCI-UHFFFAOYSA-N 2 1 399.501 3.575 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CCC2)[C@H](c2ccccc2)C1 ZINC000481918011 862514875 /nfs/dbraw/zinc/51/48/75/862514875.db2.gz QFNPJENCVDYDRL-BJKOFHAPSA-N 2 1 378.564 3.891 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CCC2)[C@@H](c2ccccc2)C1 ZINC000481918012 862515162 /nfs/dbraw/zinc/51/51/62/862515162.db2.gz QFNPJENCVDYDRL-DNQXCXABSA-N 2 1 378.564 3.891 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441183985 853989152 /nfs/dbraw/zinc/98/91/52/853989152.db2.gz UJXSUMAHDQNBBF-VJBWXMMDSA-N 2 1 393.531 3.622 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441183985 853989178 /nfs/dbraw/zinc/98/91/78/853989178.db2.gz UJXSUMAHDQNBBF-VJBWXMMDSA-N 2 1 393.531 3.622 20 0 GHADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1(C)C ZINC000441337799 854104449 /nfs/dbraw/zinc/10/44/49/854104449.db2.gz RWIPEWFXFUKRIW-UHFFFAOYSA-N 2 1 385.527 3.520 20 0 GHADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[NH+](C)C(C)(C)C2)c1 ZINC000623945595 862538281 /nfs/dbraw/zinc/53/82/81/862538281.db2.gz UODZOJAGJAJVBN-WMZOPIPTSA-N 2 1 390.547 3.923 20 0 GHADMP C[C@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623945595 862538289 /nfs/dbraw/zinc/53/82/89/862538289.db2.gz UODZOJAGJAJVBN-WMZOPIPTSA-N 2 1 390.547 3.923 20 0 GHADMP C[C@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623945595 862538300 /nfs/dbraw/zinc/53/83/00/862538300.db2.gz UODZOJAGJAJVBN-WMZOPIPTSA-N 2 1 390.547 3.923 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C[C@H]2C1 ZINC001167995185 854430825 /nfs/dbraw/zinc/43/08/25/854430825.db2.gz YJHXKRGKMLWYSF-APISQKPESA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C[C@H]2C1 ZINC001167995185 854430829 /nfs/dbraw/zinc/43/08/29/854430829.db2.gz YJHXKRGKMLWYSF-APISQKPESA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C[C@H]2C1 ZINC001167995185 854430834 /nfs/dbraw/zinc/43/08/34/854430834.db2.gz YJHXKRGKMLWYSF-APISQKPESA-N 2 1 389.584 3.581 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000604873511 862589804 /nfs/dbraw/zinc/58/98/04/862589804.db2.gz JEXIPLDYVHJIHJ-HXUWFJFHSA-N 2 1 389.927 3.912 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)c1ccccc1 ZINC000604873511 862589816 /nfs/dbraw/zinc/58/98/16/862589816.db2.gz JEXIPLDYVHJIHJ-HXUWFJFHSA-N 2 1 389.927 3.912 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564596 855011047 /nfs/dbraw/zinc/01/10/47/855011047.db2.gz WOXPOJGQEBTHKV-SIKLNZKXSA-N 2 1 399.579 3.603 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189258547 855063522 /nfs/dbraw/zinc/06/35/22/855063522.db2.gz IDFOWOMDPKRTAL-UHFFFAOYSA-N 2 1 388.559 3.971 20 0 GHADMP Cc1ccc(F)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1F ZINC000499395244 855080814 /nfs/dbraw/zinc/08/08/14/855080814.db2.gz RQQYQCFSXDQPRP-UHFFFAOYSA-N 2 1 393.522 3.542 20 0 GHADMP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999692 855221092 /nfs/dbraw/zinc/22/10/92/855221092.db2.gz TTWCFYVBKUCDBV-UHFFFAOYSA-N 2 1 389.927 3.871 20 0 GHADMP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999692 855221099 /nfs/dbraw/zinc/22/10/99/855221099.db2.gz TTWCFYVBKUCDBV-UHFFFAOYSA-N 2 1 389.927 3.871 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000441479178 855234189 /nfs/dbraw/zinc/23/41/89/855234189.db2.gz PXWPAHHHIDQBER-XPNTWCBSSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000441479178 855234199 /nfs/dbraw/zinc/23/41/99/855234199.db2.gz PXWPAHHHIDQBER-XPNTWCBSSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000441479178 855234207 /nfs/dbraw/zinc/23/42/07/855234207.db2.gz PXWPAHHHIDQBER-XPNTWCBSSA-N 2 1 383.580 3.682 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1C ZINC000131689552 855377265 /nfs/dbraw/zinc/37/72/65/855377265.db2.gz QKPJTJOGAXKETB-SFHVURJKSA-N 2 1 399.608 3.826 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000172555321 855415543 /nfs/dbraw/zinc/41/55/43/855415543.db2.gz PSFAWNYBNTWAEP-CVDCTZTESA-N 2 1 398.595 3.555 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000572958173 855466059 /nfs/dbraw/zinc/46/60/59/855466059.db2.gz MNXMITQSWXDGCP-KSFYIVLOSA-N 2 1 389.503 3.509 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000542707870 855509086 /nfs/dbraw/zinc/50/90/86/855509086.db2.gz MYNPBOPHRHZSRM-KVJIRVJXSA-N 2 1 378.532 3.772 20 0 GHADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000510697821 855529717 /nfs/dbraw/zinc/52/97/17/855529717.db2.gz WAIBYFYHLJNTBP-INIZCTEOSA-N 2 1 399.501 3.559 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002106 855571220 /nfs/dbraw/zinc/57/12/20/855571220.db2.gz LZODHDYLEUALLH-MZSJESITSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002106 855571222 /nfs/dbraw/zinc/57/12/22/855571222.db2.gz LZODHDYLEUALLH-MZSJESITSA-N 2 1 377.573 3.627 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002106 855571225 /nfs/dbraw/zinc/57/12/25/855571225.db2.gz LZODHDYLEUALLH-MZSJESITSA-N 2 1 377.573 3.627 20 0 GHADMP CC(C)[C@@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccc(F)cc1 ZINC000590787143 855585894 /nfs/dbraw/zinc/58/58/94/855585894.db2.gz SUOWIVBUWYVQPA-JOCHJYFZSA-N 2 1 377.548 3.691 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046097 855701651 /nfs/dbraw/zinc/70/16/51/855701651.db2.gz OYXAXNPXQMNUBJ-IAQYHMDHSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046097 855701646 /nfs/dbraw/zinc/70/16/46/855701646.db2.gz OYXAXNPXQMNUBJ-IAQYHMDHSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046097 855701647 /nfs/dbraw/zinc/70/16/47/855701647.db2.gz OYXAXNPXQMNUBJ-IAQYHMDHSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000573046097 855701649 /nfs/dbraw/zinc/70/16/49/855701649.db2.gz OYXAXNPXQMNUBJ-IAQYHMDHSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000520612937 855794373 /nfs/dbraw/zinc/79/43/73/855794373.db2.gz IUONLNMTQJZWGS-REWPJTCUSA-N 2 1 398.595 3.831 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000485008187 855983314 /nfs/dbraw/zinc/98/33/14/855983314.db2.gz LCBKIUHSLGSHQE-OALUTQOASA-N 2 1 390.572 3.744 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000485008188 855984003 /nfs/dbraw/zinc/98/40/03/855984003.db2.gz LCBKIUHSLGSHQE-RBUKOAKNSA-N 2 1 390.572 3.744 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000591436817 855986225 /nfs/dbraw/zinc/98/62/25/855986225.db2.gz CXUOOLZJKIQAQO-LJQANCHMSA-N 2 1 399.579 3.544 20 0 GHADMP CC[NH+]1CCC([N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168560854 856014528 /nfs/dbraw/zinc/01/45/28/856014528.db2.gz SUVCPMZRJVXKER-HOTGVXAUSA-N 2 1 393.494 3.733 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 ZINC001168560854 856014542 /nfs/dbraw/zinc/01/45/42/856014542.db2.gz SUVCPMZRJVXKER-HOTGVXAUSA-N 2 1 393.494 3.733 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000171211973 856036511 /nfs/dbraw/zinc/03/65/11/856036511.db2.gz FYSXOUQEASVIKX-LJQANCHMSA-N 2 1 397.567 3.703 20 0 GHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000536479891 856202390 /nfs/dbraw/zinc/20/23/90/856202390.db2.gz RYAWCMALPFZYIV-OAQYLSRUSA-N 2 1 398.595 3.801 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000591709767 856226912 /nfs/dbraw/zinc/22/69/12/856226912.db2.gz SKTZMTUFRQXWNJ-UHFFFAOYSA-N 2 1 380.580 3.818 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1 ZINC000057912354 856252159 /nfs/dbraw/zinc/25/21/59/856252159.db2.gz LWXDYLFWYMJEDI-QHCPKHFHSA-N 2 1 379.548 3.769 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000429232179 856395892 /nfs/dbraw/zinc/39/58/92/856395892.db2.gz AQFKVJUBWRNMFJ-RBUKOAKNSA-N 2 1 382.552 3.914 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000429232179 856395898 /nfs/dbraw/zinc/39/58/98/856395898.db2.gz AQFKVJUBWRNMFJ-RBUKOAKNSA-N 2 1 382.552 3.914 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2F)C2CCCCC2)CC1 ZINC000104962675 856453254 /nfs/dbraw/zinc/45/32/54/856453254.db2.gz CGVQKZDSBNYVPM-UHFFFAOYSA-N 2 1 375.532 3.561 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2F)C2CCCCC2)CC1 ZINC000104962675 856453258 /nfs/dbraw/zinc/45/32/58/856453258.db2.gz CGVQKZDSBNYVPM-UHFFFAOYSA-N 2 1 375.532 3.561 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168674644 856527263 /nfs/dbraw/zinc/52/72/63/856527263.db2.gz ZDMMDUWRZURUJF-ONTNHIFESA-N 2 1 392.543 3.979 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168674644 856527296 /nfs/dbraw/zinc/52/72/96/856527296.db2.gz ZDMMDUWRZURUJF-ONTNHIFESA-N 2 1 392.543 3.979 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CCO2)cc1 ZINC001168674644 856527304 /nfs/dbraw/zinc/52/73/04/856527304.db2.gz ZDMMDUWRZURUJF-ONTNHIFESA-N 2 1 392.543 3.979 20 0 GHADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427708967 856619850 /nfs/dbraw/zinc/61/98/50/856619850.db2.gz DZNMOKIWPOEMFR-SLFFLAALSA-N 2 1 397.485 3.835 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[C@H](C)O1 ZINC000474019777 856627653 /nfs/dbraw/zinc/62/76/53/856627653.db2.gz CRSKTBONVYZUJJ-QBZTVIHSSA-N 2 1 386.580 3.981 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000507888633 856629517 /nfs/dbraw/zinc/62/95/17/856629517.db2.gz CNJIEXJPGNONIJ-GKRYPELUSA-N 2 1 385.596 3.727 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000507888633 856629524 /nfs/dbraw/zinc/62/95/24/856629524.db2.gz CNJIEXJPGNONIJ-GKRYPELUSA-N 2 1 385.596 3.727 20 0 GHADMP CN(C)C(=O)c1cccc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000281067740 862831168 /nfs/dbraw/zinc/83/11/68/862831168.db2.gz SPMJGXWNFRWPMC-UHFFFAOYSA-N 2 1 393.575 3.964 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000672226503 856887721 /nfs/dbraw/zinc/88/77/21/856887721.db2.gz VRYGQFMLEGXAQS-NJYVYQBISA-N 2 1 399.579 3.639 20 0 GHADMP C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000665254012 857025290 /nfs/dbraw/zinc/02/52/90/857025290.db2.gz FZZSITDSZYWUPR-JJEOQYAHSA-N 2 1 385.527 3.562 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC2CCN(c3ccccc3)CC2)cc1 ZINC000665254928 857042460 /nfs/dbraw/zinc/04/24/60/857042460.db2.gz CNQVLIWOZXYVOV-ZEQRLZLVSA-N 2 1 379.548 3.789 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000499507511 857051608 /nfs/dbraw/zinc/05/16/08/857051608.db2.gz JMXNVOPMMIXSDP-QGZVFWFLSA-N 2 1 387.499 3.574 20 0 GHADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000665255426 857100834 /nfs/dbraw/zinc/10/08/34/857100834.db2.gz SDFHQMAYLAGCMD-MXNKGDRCSA-N 2 1 382.552 3.580 20 0 GHADMP O=C(C[NH+]1CCC(c2ccsc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000485911464 857203920 /nfs/dbraw/zinc/20/39/20/857203920.db2.gz DKSDLBVYFDFLNY-UHFFFAOYSA-N 2 1 397.588 3.840 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@@H]3C2)cc1 ZINC000656537878 857337224 /nfs/dbraw/zinc/33/72/24/857337224.db2.gz GOOBWFCHKPUQNO-GPUOULLFSA-N 3 1 390.575 3.941 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000766140947 857408176 /nfs/dbraw/zinc/40/81/76/857408176.db2.gz ZMJSSRVHTYTGIW-DUXKGJEZSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000766140947 857408180 /nfs/dbraw/zinc/40/81/80/857408180.db2.gz ZMJSSRVHTYTGIW-DUXKGJEZSA-N 2 1 387.568 3.932 20 0 GHADMP CC(C)[NH+]1CCC([NH+](C)CCCCC[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000077274152 857450357 /nfs/dbraw/zinc/45/03/57/857450357.db2.gz RYNUGHZBFODIEC-UHFFFAOYSA-N 4 1 380.665 3.766 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)cc1 ZINC000675490718 857458321 /nfs/dbraw/zinc/45/83/21/857458321.db2.gz UIUQXRCEFDYUCW-OAQYLSRUSA-N 2 1 395.547 3.888 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000061071244 857497513 /nfs/dbraw/zinc/49/75/13/857497513.db2.gz UCDLNCOLADHCLI-WIYYLYMNSA-N 2 1 398.551 3.614 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)[NH+](C)C)cc2)C1 ZINC000061071244 857497519 /nfs/dbraw/zinc/49/75/19/857497519.db2.gz UCDLNCOLADHCLI-WIYYLYMNSA-N 2 1 398.551 3.614 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1nc2ccccc2s1)c1ccccc1 ZINC000625719668 862919407 /nfs/dbraw/zinc/91/94/07/862919407.db2.gz JJDAOCLSSJPXPY-SFHVURJKSA-N 2 1 396.560 3.540 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000672603031 857523557 /nfs/dbraw/zinc/52/35/57/857523557.db2.gz NPTOSOWLVPFRTH-FPOVZHCZSA-N 2 1 375.520 3.830 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486225185 857553227 /nfs/dbraw/zinc/55/32/27/857553227.db2.gz BQGOWEDTFORRML-RBBKRZOGSA-N 2 1 398.595 3.699 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OCC ZINC000675881491 857659254 /nfs/dbraw/zinc/65/92/54/857659254.db2.gz MEQSXSZIDMYZDO-PXNSSMCTSA-N 2 1 376.541 3.778 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000065482047 857805850 /nfs/dbraw/zinc/80/58/50/857805850.db2.gz FMEGJTVMTYEKAH-NHCUHLMSSA-N 2 1 398.551 3.626 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594095293 857933458 /nfs/dbraw/zinc/93/34/58/857933458.db2.gz UACJQZPUWCZTDE-NZQKXSOJSA-N 2 1 398.595 3.831 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000594099974 857936480 /nfs/dbraw/zinc/93/64/80/857936480.db2.gz TXZQYXQPVVEBKM-NZQKXSOJSA-N 2 1 398.595 3.831 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000486708509 858013017 /nfs/dbraw/zinc/01/30/17/858013017.db2.gz JZPCPSAMUFXBBF-UPVQGACJSA-N 2 1 391.559 3.875 20 0 GHADMP C[N@@H+]1CCN(CC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1(C)C ZINC000442866866 858185287 /nfs/dbraw/zinc/18/52/87/858185287.db2.gz JLCDHWGPAKYFDX-JOCHJYFZSA-N 2 1 378.520 3.533 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1(C)C ZINC000442866866 858185294 /nfs/dbraw/zinc/18/52/94/858185294.db2.gz JLCDHWGPAKYFDX-JOCHJYFZSA-N 2 1 378.520 3.533 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cccc(Cl)c3)CC2)CC1 ZINC000066568513 858191764 /nfs/dbraw/zinc/19/17/64/858191764.db2.gz ZYJNLFKHFPLRGR-KRWDZBQOSA-N 2 1 377.960 3.667 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2cccc(Br)c21 ZINC000442879441 858201317 /nfs/dbraw/zinc/20/13/17/858201317.db2.gz VZEPYVLGGQIYRD-WMLDXEAASA-N 2 1 380.374 3.613 20 0 GHADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000521683864 858230201 /nfs/dbraw/zinc/23/02/01/858230201.db2.gz CMYZRIHCYGIODI-QZTJIDSGSA-N 2 1 394.991 3.676 20 0 GHADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000521687062 858245679 /nfs/dbraw/zinc/24/56/79/858245679.db2.gz ICMRANOWCWYMSX-MSOLQXFVSA-N 2 1 394.991 3.534 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000673142759 858298464 /nfs/dbraw/zinc/29/84/64/858298464.db2.gz YURRUGAUTHUQQF-TYPHKJRUSA-N 2 1 398.551 3.625 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000595235332 858448210 /nfs/dbraw/zinc/44/82/10/858448210.db2.gz GEMMSEIDYXQTNU-SFTDATJTSA-N 2 1 386.499 3.729 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCC(c3ccccc3)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000575046246 858502913 /nfs/dbraw/zinc/50/29/13/858502913.db2.gz IBZQFOAWFJMSDH-NQOUVNBVSA-N 2 1 383.580 3.541 20 0 GHADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)C[C@@H](C)O1 ZINC000543183004 858758956 /nfs/dbraw/zinc/75/89/56/858758956.db2.gz DBFPQVSWKGODQC-DRSNIGMVSA-N 2 1 392.971 3.918 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000183678753 858794650 /nfs/dbraw/zinc/79/46/50/858794650.db2.gz ZGULUIGDYIEPAO-CQSZACIVSA-N 2 1 398.536 3.520 20 0 GHADMP Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n(C(C)(C)C)n1 ZINC000183686627 858796692 /nfs/dbraw/zinc/79/66/92/858796692.db2.gz BNAQOZDPNULOSG-MRXNPFEDSA-N 2 1 394.523 3.730 20 0 GHADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000183786118 858819124 /nfs/dbraw/zinc/81/91/24/858819124.db2.gz OJVLWKXQJKPENY-OAQYLSRUSA-N 2 1 380.621 3.650 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccccc2F)CC1 ZINC000429262962 858858849 /nfs/dbraw/zinc/85/88/49/858858849.db2.gz WQXJUNYSQMBGND-UHFFFAOYSA-N 2 1 397.538 3.693 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2ccccc2F)CC1 ZINC000429262962 858858854 /nfs/dbraw/zinc/85/88/54/858858854.db2.gz WQXJUNYSQMBGND-UHFFFAOYSA-N 2 1 397.538 3.693 20 0 GHADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCCn1cc[nH+]c1C ZINC000625793766 858912420 /nfs/dbraw/zinc/91/24/20/858912420.db2.gz ILTSICRPSRTSBP-FGZHOGPDSA-N 2 1 382.552 3.636 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCCn1cc[nH+]c1C ZINC000625793766 858912426 /nfs/dbraw/zinc/91/24/26/858912426.db2.gz ILTSICRPSRTSBP-FGZHOGPDSA-N 2 1 382.552 3.636 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1F ZINC000532188699 881363090 /nfs/dbraw/zinc/36/30/90/881363090.db2.gz ZMQVUKLGISHARP-YJBOKZPZSA-N 2 1 377.529 3.535 20 0 GHADMP C[C@H]1CCC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000443578174 858972837 /nfs/dbraw/zinc/97/28/37/858972837.db2.gz QDAQWLYXAXAFMZ-PZJWPPBQSA-N 2 1 392.632 3.793 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C\c3ccc(F)cc3F)C2)ccn1 ZINC000856551553 881368170 /nfs/dbraw/zinc/36/81/70/881368170.db2.gz UKCFCPGZORNVOJ-OLEQZPESSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C\c3ccc(F)cc3F)C2)ccn1 ZINC000856551553 881368185 /nfs/dbraw/zinc/36/81/85/881368185.db2.gz UKCFCPGZORNVOJ-OLEQZPESSA-N 2 1 387.474 3.978 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3F)C2)ccn1 ZINC000856551553 881368202 /nfs/dbraw/zinc/36/82/02/881368202.db2.gz UKCFCPGZORNVOJ-OLEQZPESSA-N 2 1 387.474 3.978 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc4ccccc34)C2)ccn1 ZINC000856552436 881374179 /nfs/dbraw/zinc/37/41/79/881374179.db2.gz BOODRLIQIOKNKX-NRFANRHFSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)ccn1 ZINC000856552436 881374199 /nfs/dbraw/zinc/37/41/99/881374199.db2.gz BOODRLIQIOKNKX-NRFANRHFSA-N 2 1 376.504 3.735 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)ccn1 ZINC000856552436 881374219 /nfs/dbraw/zinc/37/42/19/881374219.db2.gz BOODRLIQIOKNKX-NRFANRHFSA-N 2 1 376.504 3.735 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c4cccnc34)C2)ccn1 ZINC000856552012 881374586 /nfs/dbraw/zinc/37/45/86/881374586.db2.gz FPHPOLRUKHDAOK-HXUWFJFHSA-N 2 1 394.494 3.874 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)c4cccnc34)C2)ccn1 ZINC000856552012 881374608 /nfs/dbraw/zinc/37/46/08/881374608.db2.gz FPHPOLRUKHDAOK-HXUWFJFHSA-N 2 1 394.494 3.874 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c4cccnc34)C2)ccn1 ZINC000856552012 881374631 /nfs/dbraw/zinc/37/46/31/881374631.db2.gz FPHPOLRUKHDAOK-HXUWFJFHSA-N 2 1 394.494 3.874 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000466307861 859070081 /nfs/dbraw/zinc/07/00/81/859070081.db2.gz ORUZYXBDNGEFQX-HJNYFJLDSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000466307861 859070086 /nfs/dbraw/zinc/07/00/86/859070086.db2.gz ORUZYXBDNGEFQX-HJNYFJLDSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000466307861 859070093 /nfs/dbraw/zinc/07/00/93/859070093.db2.gz ORUZYXBDNGEFQX-HJNYFJLDSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185667575 859114631 /nfs/dbraw/zinc/11/46/31/859114631.db2.gz WNDAXYXHTCWLHU-TWOQFEAHSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185667575 859114639 /nfs/dbraw/zinc/11/46/39/859114639.db2.gz WNDAXYXHTCWLHU-TWOQFEAHSA-N 2 1 375.944 3.688 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712280 859120242 /nfs/dbraw/zinc/12/02/42/859120242.db2.gz UGQIRUHNMOOXGW-GJZGRUSLSA-N 2 1 399.457 3.766 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712280 859120250 /nfs/dbraw/zinc/12/02/50/859120250.db2.gz UGQIRUHNMOOXGW-GJZGRUSLSA-N 2 1 399.457 3.766 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000185732470 859122534 /nfs/dbraw/zinc/12/25/34/859122534.db2.gz XGUWLUWISNEGPT-HRCADAONSA-N 2 1 395.494 3.858 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000185732470 859122547 /nfs/dbraw/zinc/12/25/47/859122547.db2.gz XGUWLUWISNEGPT-HRCADAONSA-N 2 1 395.494 3.858 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(Cl)c3F)C2)ccn1 ZINC000856553866 881394396 /nfs/dbraw/zinc/39/43/96/881394396.db2.gz YDDSAUIEXLSEHO-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(Cl)c3F)C2)ccn1 ZINC000856553866 881394435 /nfs/dbraw/zinc/39/44/35/881394435.db2.gz YDDSAUIEXLSEHO-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)ccn1 ZINC000856553866 881394503 /nfs/dbraw/zinc/39/45/03/881394503.db2.gz YDDSAUIEXLSEHO-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)c3F)C2)ccn1 ZINC000856553866 881394592 /nfs/dbraw/zinc/39/45/92/881394592.db2.gz YDDSAUIEXLSEHO-SFHVURJKSA-N 2 1 377.891 3.979 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000191499012 859215634 /nfs/dbraw/zinc/21/56/34/859215634.db2.gz WFXGGYMSRVJQEG-SFHVURJKSA-N 2 1 399.539 3.511 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000191499012 859215643 /nfs/dbraw/zinc/21/56/43/859215643.db2.gz WFXGGYMSRVJQEG-SFHVURJKSA-N 2 1 399.539 3.511 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)[C@H](C)C1 ZINC000483192246 859216476 /nfs/dbraw/zinc/21/64/76/859216476.db2.gz GTIBHXNYJQVBNA-VQIMIIECSA-N 2 1 383.374 3.718 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765980054 859385062 /nfs/dbraw/zinc/38/50/62/859385062.db2.gz YZDDDUYFLPPWDA-KXBFYZLASA-N 2 1 397.332 3.809 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000765980053 859385094 /nfs/dbraw/zinc/38/50/94/859385094.db2.gz YZDDDUYFLPPWDA-HNAYVOBHSA-N 2 1 397.332 3.809 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@H](c3ccccc3)C3CCCCC3)CC[C@@H]21 ZINC000483485112 859407650 /nfs/dbraw/zinc/40/76/50/859407650.db2.gz YZBMBILMQIYESD-AOHZBQACSA-N 2 1 383.580 3.840 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429456826 859407746 /nfs/dbraw/zinc/40/77/46/859407746.db2.gz RHZTZVZCROFNND-LKDDOFHYSA-N 2 1 382.523 3.792 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000626062281 859436364 /nfs/dbraw/zinc/43/63/64/859436364.db2.gz NVNSCRAMUAUAFC-KRWDZBQOSA-N 2 1 385.577 3.605 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466443094 859515596 /nfs/dbraw/zinc/51/55/96/859515596.db2.gz BBBWJKWMBYZWMQ-MLFFRYNPSA-N 2 1 384.486 3.828 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466443094 859515602 /nfs/dbraw/zinc/51/56/02/859515602.db2.gz BBBWJKWMBYZWMQ-MLFFRYNPSA-N 2 1 384.486 3.828 20 0 GHADMP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000114274542 859521668 /nfs/dbraw/zinc/52/16/68/859521668.db2.gz PQXCRMCOWBKPKV-QGZVFWFLSA-N 2 1 379.504 3.745 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000483720676 859558750 /nfs/dbraw/zinc/55/87/50/859558750.db2.gz GLVWEFSYGKFXHH-BPBCIEFSSA-N 2 1 393.641 3.858 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000483720676 859558757 /nfs/dbraw/zinc/55/87/57/859558757.db2.gz GLVWEFSYGKFXHH-BPBCIEFSSA-N 2 1 393.641 3.858 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000483720676 859558769 /nfs/dbraw/zinc/55/87/69/859558769.db2.gz GLVWEFSYGKFXHH-BPBCIEFSSA-N 2 1 393.641 3.858 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)CCO2 ZINC000764882284 859658975 /nfs/dbraw/zinc/65/89/75/859658975.db2.gz KIXJLQSKNPSQSQ-XXBNENTESA-N 2 1 379.548 3.651 20 0 GHADMP C[C@@H]1C[C@@H](NC(=[NH2+])c2cnc3ccc(F)cn23)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168031653 859752373 /nfs/dbraw/zinc/75/23/73/859752373.db2.gz BEINKPSGJINEOY-HGKCTWBKSA-N 2 1 379.483 3.830 20 0 GHADMP CCO/C=C\[C@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000895719949 859869174 /nfs/dbraw/zinc/86/91/74/859869174.db2.gz ZAPUXYCPYNWSKS-JSWZHVGJSA-N 2 1 398.469 3.617 20 0 GHADMP CCO/C=C\[C@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)(F)F ZINC000895719949 859869187 /nfs/dbraw/zinc/86/91/87/859869187.db2.gz ZAPUXYCPYNWSKS-JSWZHVGJSA-N 2 1 398.469 3.617 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(N3CCOC3=O)c2)cc1 ZINC000765266303 859883590 /nfs/dbraw/zinc/88/35/90/859883590.db2.gz GKZSKSBNLLHLLT-INIZCTEOSA-N 2 1 376.460 3.988 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cnn(-c2ccccc2)c1 ZINC000765327799 859909092 /nfs/dbraw/zinc/90/90/92/859909092.db2.gz XXERSOVSIZITFX-PMACEKPBSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cnn(-c2ccccc2)c1 ZINC000765327799 859909096 /nfs/dbraw/zinc/90/90/96/859909096.db2.gz XXERSOVSIZITFX-PMACEKPBSA-N 2 1 390.531 3.944 20 0 GHADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000474468075 860150005 /nfs/dbraw/zinc/15/00/05/860150005.db2.gz HBIFMOXQCHIVQE-WOJBJXKFSA-N 2 1 381.564 3.724 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C(=O)N(C)C)c3)cc2)C1 ZINC000921529645 860198809 /nfs/dbraw/zinc/19/88/09/860198809.db2.gz MWHCEIICWVELJG-LJQANCHMSA-N 2 1 379.548 3.910 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccc3-c3ccnn3C)CC2)C[C@H](C)O1 ZINC000508961249 860284097 /nfs/dbraw/zinc/28/40/97/860284097.db2.gz ADSMQKZECVUWJO-BGYRXZFFSA-N 2 1 396.579 3.798 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000904295965 860316820 /nfs/dbraw/zinc/31/68/20/860316820.db2.gz MVGAQCAWNRRGEI-NHCUHLMSSA-N 2 1 389.503 3.801 20 0 GHADMP C[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)[C@@H]1CCC[NH3+] ZINC000904320990 860337136 /nfs/dbraw/zinc/33/71/36/860337136.db2.gz SRYMIQOTOSKFCZ-YLJYHZDGSA-N 2 1 390.597 3.607 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904506089 860481159 /nfs/dbraw/zinc/48/11/59/860481159.db2.gz KAWQMKCEYSICBU-FSSWDIPSSA-N 2 1 392.547 3.828 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)C[C@@H](C)O1 ZINC000025099646 860486926 /nfs/dbraw/zinc/48/69/26/860486926.db2.gz YUUVVKCZSIKWFC-QZTJIDSGSA-N 2 1 381.520 3.610 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(OC(C)(C)C)n3)C2)ccn1 ZINC000856585249 881556531 /nfs/dbraw/zinc/55/65/31/881556531.db2.gz BORWGBBBLXEXOO-NRFANRHFSA-N 2 1 398.551 3.759 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(OC(C)(C)C)n3)C2)ccn1 ZINC000856585249 881556537 /nfs/dbraw/zinc/55/65/37/881556537.db2.gz BORWGBBBLXEXOO-NRFANRHFSA-N 2 1 398.551 3.759 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(OC(C)(C)C)n3)C2)ccn1 ZINC000856585249 881556554 /nfs/dbraw/zinc/55/65/54/881556554.db2.gz BORWGBBBLXEXOO-NRFANRHFSA-N 2 1 398.551 3.759 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000054509426 860606768 /nfs/dbraw/zinc/60/67/68/860606768.db2.gz VPHVNMGUZAXWAZ-XLIONFOSSA-N 2 1 392.975 3.508 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000429008277 860671265 /nfs/dbraw/zinc/67/12/65/860671265.db2.gz XLXJGIJDLSMQCZ-HMXCVIKNSA-N 2 1 388.600 3.705 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC([NH2+]C(C)C)CC1)c1ccc(Cl)cc1 ZINC000509052997 860699784 /nfs/dbraw/zinc/69/97/84/860699784.db2.gz SFVXQOMJJVWGNI-HXUWFJFHSA-N 2 1 394.991 3.895 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc4nsnc43)C2)ccn1 ZINC000856598771 881571132 /nfs/dbraw/zinc/57/11/32/881571132.db2.gz BYKGJGUSRIGLNP-IBGZPJMESA-N 2 1 397.548 3.580 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc4nsnc43)C2)ccn1 ZINC000856598771 881571141 /nfs/dbraw/zinc/57/11/41/881571141.db2.gz BYKGJGUSRIGLNP-IBGZPJMESA-N 2 1 397.548 3.580 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc4nsnc43)C2)ccn1 ZINC000856598771 881571152 /nfs/dbraw/zinc/57/11/52/881571152.db2.gz BYKGJGUSRIGLNP-IBGZPJMESA-N 2 1 397.548 3.580 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4cc(F)ccc4o3)C2)ccn1 ZINC000856599416 881571228 /nfs/dbraw/zinc/57/12/28/881571228.db2.gz IQOZKJLTDZEFET-IBGZPJMESA-N 2 1 398.482 3.855 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc4cc(F)ccc4o3)C2)ccn1 ZINC000856599416 881571239 /nfs/dbraw/zinc/57/12/39/881571239.db2.gz IQOZKJLTDZEFET-IBGZPJMESA-N 2 1 398.482 3.855 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc4cc(F)ccc4o3)C2)ccn1 ZINC000856599416 881571253 /nfs/dbraw/zinc/57/12/53/881571253.db2.gz IQOZKJLTDZEFET-IBGZPJMESA-N 2 1 398.482 3.855 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)ccn1 ZINC000856599416 881571269 /nfs/dbraw/zinc/57/12/69/881571269.db2.gz IQOZKJLTDZEFET-IBGZPJMESA-N 2 1 398.482 3.855 20 0 GHADMP COc1c(C)cnc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1C ZINC000856598908 881572145 /nfs/dbraw/zinc/57/21/45/881572145.db2.gz CSSQOJZZESCHOJ-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP COc1c(C)cnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1C ZINC000856598908 881572156 /nfs/dbraw/zinc/57/21/56/881572156.db2.gz CSSQOJZZESCHOJ-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP COc1c(C)cnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1C ZINC000856598908 881572169 /nfs/dbraw/zinc/57/21/69/881572169.db2.gz CSSQOJZZESCHOJ-NRFANRHFSA-N 2 1 398.551 3.596 20 0 GHADMP Cc1cccc2nc(C[NH+]3CC[C@@H](Oc4ccnc(C[N@@H+](C)C(C)C)c4)C3)cn21 ZINC000856599144 881573074 /nfs/dbraw/zinc/57/30/74/881573074.db2.gz MXQMCRAQWFLZRP-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2nc(C[NH+]3CC[C@@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)cn21 ZINC000856599144 881573088 /nfs/dbraw/zinc/57/30/88/881573088.db2.gz MXQMCRAQWFLZRP-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2nc(C[N@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cn21 ZINC000856599144 881573103 /nfs/dbraw/zinc/57/31/03/881573103.db2.gz MXQMCRAQWFLZRP-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2nc(C[N@@H+]3CC[C@@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cn21 ZINC000856599144 881573118 /nfs/dbraw/zinc/57/31/18/881573118.db2.gz MXQMCRAQWFLZRP-JOCHJYFZSA-N 2 1 393.535 3.531 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000489792859 860753975 /nfs/dbraw/zinc/75/39/75/860753975.db2.gz SGYNWCJSBPQDHD-QHCPKHFHSA-N 2 1 386.584 3.546 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000489792859 860753984 /nfs/dbraw/zinc/75/39/84/860753984.db2.gz SGYNWCJSBPQDHD-QHCPKHFHSA-N 2 1 386.584 3.546 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000489792859 860753992 /nfs/dbraw/zinc/75/39/92/860753992.db2.gz SGYNWCJSBPQDHD-QHCPKHFHSA-N 2 1 386.584 3.546 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000557032452 881586030 /nfs/dbraw/zinc/58/60/30/881586030.db2.gz AEKARDBWHYCEEO-VGOFRKELSA-N 2 1 378.520 3.507 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623362821 860923589 /nfs/dbraw/zinc/92/35/89/860923589.db2.gz LXTOCPJMNDMPRS-QGZVFWFLSA-N 2 1 385.508 3.854 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623362821 860923603 /nfs/dbraw/zinc/92/36/03/860923603.db2.gz LXTOCPJMNDMPRS-QGZVFWFLSA-N 2 1 385.508 3.854 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623362821 860923614 /nfs/dbraw/zinc/92/36/14/860923614.db2.gz LXTOCPJMNDMPRS-QGZVFWFLSA-N 2 1 385.508 3.854 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cn2)n1 ZINC000481304358 860987570 /nfs/dbraw/zinc/98/75/70/860987570.db2.gz HTAXZGVEHLYMEC-JPYJTQIMSA-N 2 1 389.547 3.884 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000600124072 861058659 /nfs/dbraw/zinc/05/86/59/861058659.db2.gz OPMWOHWJVBHCPN-SFHVURJKSA-N 2 1 381.520 3.923 20 0 GHADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000600124072 861058668 /nfs/dbraw/zinc/05/86/68/861058668.db2.gz OPMWOHWJVBHCPN-SFHVURJKSA-N 2 1 381.520 3.923 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000181972215 863068864 /nfs/dbraw/zinc/06/88/64/863068864.db2.gz DTXONSUQRAIFPT-QFIPXVFZSA-N 2 1 383.511 3.577 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC(=O)Nc4ccccc43)cc2)C[C@H](C)O1 ZINC000542482059 881628940 /nfs/dbraw/zinc/62/89/40/881628940.db2.gz NBEMECUBTVLMLY-KGVIQGDOSA-N 2 1 393.531 3.859 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182230893 863157533 /nfs/dbraw/zinc/15/75/33/863157533.db2.gz WGIVVRWNPRHXOR-GGAORHGYSA-N 2 1 380.532 3.955 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000182230866 863157974 /nfs/dbraw/zinc/15/79/74/863157974.db2.gz YWHNPGCDXSZKKU-FYYLOGMGSA-N 2 1 382.573 3.764 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182257251 863166394 /nfs/dbraw/zinc/16/63/94/863166394.db2.gz FHAGQMHJXCHDQC-QAPCUYQASA-N 2 1 376.447 3.705 20 0 GHADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000605988061 863328453 /nfs/dbraw/zinc/32/84/53/863328453.db2.gz KYJCJLDTGIIIGR-SFTDATJTSA-N 2 1 378.605 3.549 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482592844 863357368 /nfs/dbraw/zinc/35/73/68/863357368.db2.gz SLRYXIGYXHUHJJ-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000173350299 881660938 /nfs/dbraw/zinc/66/09/38/881660938.db2.gz DURWZBJZJGKOPL-MSOLQXFVSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1OC ZINC000173350299 881660948 /nfs/dbraw/zinc/66/09/48/881660948.db2.gz DURWZBJZJGKOPL-MSOLQXFVSA-N 2 1 384.520 3.775 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(Cl)c2)cc1 ZINC000183138185 863483580 /nfs/dbraw/zinc/48/35/80/863483580.db2.gz JTHKBICHGIUIKH-HNNXBMFYSA-N 2 1 382.895 3.801 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168051882 863668240 /nfs/dbraw/zinc/66/82/40/863668240.db2.gz JRRYEHLLGRMSFB-WNXIRNOKSA-N 2 1 383.580 3.905 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[N@@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168051882 863668247 /nfs/dbraw/zinc/66/82/47/863668247.db2.gz JRRYEHLLGRMSFB-WNXIRNOKSA-N 2 1 383.580 3.905 20 0 GHADMP CC(=O)N1CCCC[C@]12CC[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168051882 863668249 /nfs/dbraw/zinc/66/82/49/863668249.db2.gz JRRYEHLLGRMSFB-WNXIRNOKSA-N 2 1 383.580 3.905 20 0 GHADMP Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000606589467 863734596 /nfs/dbraw/zinc/73/45/96/863734596.db2.gz AIZVQSWJADFSAG-SFHVURJKSA-N 2 1 390.572 3.567 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000606620655 863739891 /nfs/dbraw/zinc/73/98/91/863739891.db2.gz HZASEDCTIBISAH-FPOVZHCZSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)c2coc(C[NH3+])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000444268242 863789053 /nfs/dbraw/zinc/78/90/53/863789053.db2.gz LQKAPVUYVMVQGP-KBXCAEBGSA-N 2 1 395.425 3.570 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H]2C(=O)N2CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168054836 863986593 /nfs/dbraw/zinc/98/65/93/863986593.db2.gz UJFPHOMCKPTRQG-MQFRRQCYSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC[C@H]2C(=O)N2CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054836 863986597 /nfs/dbraw/zinc/98/65/97/863986597.db2.gz UJFPHOMCKPTRQG-MQFRRQCYSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054836 863986599 /nfs/dbraw/zinc/98/65/99/863986599.db2.gz UJFPHOMCKPTRQG-MQFRRQCYSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@H]2C(=O)N2CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054836 863986603 /nfs/dbraw/zinc/98/66/03/863986603.db2.gz UJFPHOMCKPTRQG-MQFRRQCYSA-N 2 1 383.580 3.905 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000607087870 864057823 /nfs/dbraw/zinc/05/78/23/864057823.db2.gz IULRGRFBPJZTMN-IBGZPJMESA-N 2 1 383.536 3.858 20 0 GHADMP CCOC(=O)c1ncc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898516889 864072011 /nfs/dbraw/zinc/07/20/11/864072011.db2.gz CWMNJCFVQLHGRR-QYZOEREBSA-N 2 1 399.560 3.710 20 0 GHADMP CCCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000621335002 864090492 /nfs/dbraw/zinc/09/04/92/864090492.db2.gz YUMIGKBYWYYVCI-IBGZPJMESA-N 2 1 385.577 3.688 20 0 GHADMP Oc1ccc2c(c1)CC[NH+](CCCCC[N@@H+]1CCc3ccc(O)cc3CC1)CC2 ZINC000607151434 864114335 /nfs/dbraw/zinc/11/43/35/864114335.db2.gz AEDACMMTYCBNAQ-UHFFFAOYSA-N 2 1 394.559 3.770 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)[C@H]1Oc1ccccc1 ZINC000480205542 864259113 /nfs/dbraw/zinc/25/91/13/864259113.db2.gz WHVJQKSNXBOZCV-MQSCRBSSSA-N 2 1 381.520 3.573 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)[C@@H]1Oc1ccccc1 ZINC000480235578 864320779 /nfs/dbraw/zinc/32/07/79/864320779.db2.gz SYRQQNUSVQNYRL-XPNTWCBSSA-N 2 1 381.520 3.573 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1)c1ccccc1 ZINC000475156732 864364434 /nfs/dbraw/zinc/36/44/34/864364434.db2.gz MNIOZQUHZKTYMX-RTBURBONSA-N 2 1 393.453 3.689 20 0 GHADMP COc1cc(CCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000621742909 864396803 /nfs/dbraw/zinc/39/68/03/864396803.db2.gz AJGYXLZKRGBVAT-NQIIRXRSSA-N 2 1 398.547 3.842 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c2ccccc21 ZINC000621753934 864402245 /nfs/dbraw/zinc/40/22/45/864402245.db2.gz XZWDSMDXUXZMAH-NRFANRHFSA-N 2 1 396.535 3.591 20 0 GHADMP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000475273993 864676660 /nfs/dbraw/zinc/67/66/60/864676660.db2.gz GWVIEFUYMLWAFB-AZUAARDMSA-N 2 1 381.520 3.524 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)o1 ZINC000622063837 864749876 /nfs/dbraw/zinc/74/98/76/864749876.db2.gz IHTBFUANGRBQGP-UHFFFAOYSA-N 2 1 395.547 3.784 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CCCS(=O)(=O)c2cccc(C)c2)CC1 ZINC000167781264 864797648 /nfs/dbraw/zinc/79/76/48/864797648.db2.gz MZPOGSZFVPJXIX-UHFFFAOYSA-N 2 1 380.598 3.603 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CCCS(=O)(=O)c2cccc(C)c2)CC1 ZINC000167781264 864797654 /nfs/dbraw/zinc/79/76/54/864797654.db2.gz MZPOGSZFVPJXIX-UHFFFAOYSA-N 2 1 380.598 3.603 20 0 GHADMP Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)nc(N)[nH+]1 ZINC000735490555 864826816 /nfs/dbraw/zinc/82/68/16/864826816.db2.gz UGKVWIXWYMEXFO-YOEHRIQHSA-N 2 1 379.430 3.881 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350060 864831037 /nfs/dbraw/zinc/83/10/37/864831037.db2.gz BMRLHLXVNAUKOK-OYRHEFFESA-N 2 1 376.479 3.780 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350060 864831055 /nfs/dbraw/zinc/83/10/55/864831055.db2.gz BMRLHLXVNAUKOK-OYRHEFFESA-N 2 1 376.479 3.780 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350060 864831074 /nfs/dbraw/zinc/83/10/74/864831074.db2.gz BMRLHLXVNAUKOK-OYRHEFFESA-N 2 1 376.479 3.780 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475350060 864831090 /nfs/dbraw/zinc/83/10/90/864831090.db2.gz BMRLHLXVNAUKOK-OYRHEFFESA-N 2 1 376.479 3.780 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC2)cs1 ZINC000182651787 864923001 /nfs/dbraw/zinc/92/30/01/864923001.db2.gz LSOWMATXESPYFK-HNNXBMFYSA-N 2 1 381.586 3.627 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cc1 ZINC000480615768 864951447 /nfs/dbraw/zinc/95/14/47/864951447.db2.gz SYKDEQNFZIVDQL-NRFANRHFSA-N 2 1 385.939 3.969 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000444345757 864981112 /nfs/dbraw/zinc/98/11/12/864981112.db2.gz QUPHDQQOIIKGHM-CEXWTWQISA-N 2 1 397.567 3.909 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000444345757 864981120 /nfs/dbraw/zinc/98/11/20/864981120.db2.gz QUPHDQQOIIKGHM-CEXWTWQISA-N 2 1 397.567 3.909 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc2c1OCO2 ZINC000608058636 864981725 /nfs/dbraw/zinc/98/17/25/864981725.db2.gz RXTNUJLCXMLQOT-UHFFFAOYSA-N 2 1 394.471 3.939 20 0 GHADMP Cc1nc(-c2cccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2)cs1 ZINC000608117138 864994135 /nfs/dbraw/zinc/99/41/35/864994135.db2.gz AITGOLPOTLUFPS-UHFFFAOYSA-N 2 1 393.516 3.518 20 0 GHADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480630510 865011525 /nfs/dbraw/zinc/01/15/25/865011525.db2.gz MFQSMZSCFYOVST-HSZRJFAPSA-N 2 1 397.538 3.570 20 0 GHADMP CC(C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000132951028 881830331 /nfs/dbraw/zinc/83/03/31/881830331.db2.gz NRXBFBVEKSSSAP-HXUWFJFHSA-N 2 1 377.960 3.655 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000667724142 865061329 /nfs/dbraw/zinc/06/13/29/865061329.db2.gz YVXGVHBVLVRWFC-BEFAXECRSA-N 2 1 390.890 3.752 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480735312 865167498 /nfs/dbraw/zinc/16/74/98/865167498.db2.gz SINSLEPIWWHKIX-AUSIDOKSSA-N 2 1 379.548 3.827 20 0 GHADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480735312 865167507 /nfs/dbraw/zinc/16/75/07/865167507.db2.gz SINSLEPIWWHKIX-AUSIDOKSSA-N 2 1 379.548 3.827 20 0 GHADMP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2)cs1 ZINC000171389393 865237258 /nfs/dbraw/zinc/23/72/58/865237258.db2.gz OERFVBWHGIKOFS-UHFFFAOYSA-N 2 1 398.576 3.865 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000480781484 865259044 /nfs/dbraw/zinc/25/90/44/865259044.db2.gz SFYORTLXPAVNRJ-CVDCTZTESA-N 2 1 397.563 3.733 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCC1 ZINC000480800812 865307590 /nfs/dbraw/zinc/30/75/90/865307590.db2.gz CLGYPKAUKMGGPV-KNQAVFIVSA-N 2 1 399.579 3.603 20 0 GHADMP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000133012132 881866054 /nfs/dbraw/zinc/86/60/54/881866054.db2.gz YSPSRUTZMUYIRN-LIRRHRJNSA-N 2 1 383.458 3.568 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000555210323 865725103 /nfs/dbraw/zinc/72/51/03/865725103.db2.gz BPZFQUJESDRQOB-JOCHJYFZSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000481182868 865947195 /nfs/dbraw/zinc/94/71/95/865947195.db2.gz AUDOOFRKGYHESG-HFMPRLQTSA-N 2 1 393.575 3.981 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000481182868 865947201 /nfs/dbraw/zinc/94/72/01/865947201.db2.gz AUDOOFRKGYHESG-HFMPRLQTSA-N 2 1 393.575 3.981 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000481182870 865947531 /nfs/dbraw/zinc/94/75/31/865947531.db2.gz AUDOOFRKGYHESG-ZFGGDYGUSA-N 2 1 393.575 3.981 20 0 GHADMP Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000481182870 865947543 /nfs/dbraw/zinc/94/75/43/865947543.db2.gz AUDOOFRKGYHESG-ZFGGDYGUSA-N 2 1 393.575 3.981 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481190051 865972627 /nfs/dbraw/zinc/97/26/27/865972627.db2.gz LEDHABZGJLDXEM-KGVIQGDOSA-N 2 1 381.520 3.522 20 0 GHADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000481190051 865972635 /nfs/dbraw/zinc/97/26/35/865972635.db2.gz LEDHABZGJLDXEM-KGVIQGDOSA-N 2 1 381.520 3.522 20 0 GHADMP CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125577 866144092 /nfs/dbraw/zinc/14/40/92/866144092.db2.gz XLFRGLNULIPNQL-SLFFLAALSA-N 2 1 375.944 3.608 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125577 866144097 /nfs/dbraw/zinc/14/40/97/866144097.db2.gz XLFRGLNULIPNQL-SLFFLAALSA-N 2 1 375.944 3.608 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125577 866144099 /nfs/dbraw/zinc/14/40/99/866144099.db2.gz XLFRGLNULIPNQL-SLFFLAALSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125577 866144105 /nfs/dbraw/zinc/14/41/05/866144105.db2.gz XLFRGLNULIPNQL-SLFFLAALSA-N 2 1 375.944 3.608 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534125577 866144109 /nfs/dbraw/zinc/14/41/09/866144109.db2.gz XLFRGLNULIPNQL-SLFFLAALSA-N 2 1 375.944 3.608 20 0 GHADMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000523115889 866531252 /nfs/dbraw/zinc/53/12/52/866531252.db2.gz AVMRVQZAIBIQIE-YZLZLFLDSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000523115889 866531258 /nfs/dbraw/zinc/53/12/58/866531258.db2.gz AVMRVQZAIBIQIE-YZLZLFLDSA-N 2 1 377.960 3.854 20 0 GHADMP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)[NH+](C)C)cc1 ZINC000553060601 866721148 /nfs/dbraw/zinc/72/11/48/866721148.db2.gz FGOCQDMGJRDHLN-KURKYZTESA-N 2 1 399.501 3.623 20 0 GHADMP C[C@@H](c1nnnn1C1CCCCC1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807355 882010025 /nfs/dbraw/zinc/01/00/25/882010025.db2.gz MCQVREPJVMVKMN-SFHVURJKSA-N 2 1 397.571 3.873 20 0 GHADMP C[C@@H](c1nnnn1C1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189807355 882010045 /nfs/dbraw/zinc/01/00/45/882010045.db2.gz MCQVREPJVMVKMN-SFHVURJKSA-N 2 1 397.571 3.873 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000741788437 866790248 /nfs/dbraw/zinc/79/02/48/866790248.db2.gz UNEXGNNXZSPGDR-PMACEKPBSA-N 2 1 379.589 3.831 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553143621 866874361 /nfs/dbraw/zinc/87/43/61/866874361.db2.gz QCHHXGPHKKCSJP-ZJSXRUAMSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553143621 866874376 /nfs/dbraw/zinc/87/43/76/866874376.db2.gz QCHHXGPHKKCSJP-ZJSXRUAMSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553143621 866874393 /nfs/dbraw/zinc/87/43/93/866874393.db2.gz QCHHXGPHKKCSJP-ZJSXRUAMSA-N 2 1 391.559 3.632 20 0 GHADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000153765958 867065709 /nfs/dbraw/zinc/06/57/09/867065709.db2.gz QVHPULXQDPXOML-GOSISDBHSA-N 2 1 389.565 3.754 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC000189953078 882050178 /nfs/dbraw/zinc/05/01/78/882050178.db2.gz LVFMONCAPFNTAT-IAGOWNOFSA-N 2 1 384.495 3.938 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000534609880 867133970 /nfs/dbraw/zinc/13/39/70/867133970.db2.gz OZEOGNVAAIKCNW-MSYGRNIXSA-N 2 1 392.547 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000534609880 867133984 /nfs/dbraw/zinc/13/39/84/867133984.db2.gz OZEOGNVAAIKCNW-MSYGRNIXSA-N 2 1 392.547 3.567 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000534609880 867133995 /nfs/dbraw/zinc/13/39/95/867133995.db2.gz OZEOGNVAAIKCNW-MSYGRNIXSA-N 2 1 392.547 3.567 20 0 GHADMP C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857146634 882052650 /nfs/dbraw/zinc/05/26/50/882052650.db2.gz ASZHRCASQOFAKN-FQEVSTJZSA-N 2 1 385.577 3.761 20 0 GHADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000133204401 882059288 /nfs/dbraw/zinc/05/92/88/882059288.db2.gz DOOPBPAFIUDLPH-IBGZPJMESA-N 2 1 397.485 3.660 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000620769343 867390914 /nfs/dbraw/zinc/39/09/14/867390914.db2.gz SCHACLSBQZGBNR-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000534794051 867505024 /nfs/dbraw/zinc/50/50/24/867505024.db2.gz TYSXMEBOPIXWHD-QGZVFWFLSA-N 2 1 387.749 3.526 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000523594345 867571936 /nfs/dbraw/zinc/57/19/36/867571936.db2.gz KJJGOMQNMHFPTI-JOCHJYFZSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CCCO1 ZINC000479436410 867752572 /nfs/dbraw/zinc/75/25/72/867752572.db2.gz IOBNZPILLLMPAC-KXBFYZLASA-N 2 1 381.358 3.917 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)Nc1ccc(Cl)cn1 ZINC000534965891 867833887 /nfs/dbraw/zinc/83/38/87/867833887.db2.gz QLMKQKQZJJPDET-UHFFFAOYSA-N 2 1 398.938 3.662 20 0 GHADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)Nc1ccc(Cl)cn1 ZINC000534965891 867833912 /nfs/dbraw/zinc/83/39/12/867833912.db2.gz QLMKQKQZJJPDET-UHFFFAOYSA-N 2 1 398.938 3.662 20 0 GHADMP Cc1ccsc1CNC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965047 867839513 /nfs/dbraw/zinc/83/95/13/867839513.db2.gz JTYOATMTPQRYRI-UHFFFAOYSA-N 2 1 397.588 3.661 20 0 GHADMP Cc1ccsc1CNC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965047 867839517 /nfs/dbraw/zinc/83/95/17/867839517.db2.gz JTYOATMTPQRYRI-UHFFFAOYSA-N 2 1 397.588 3.661 20 0 GHADMP C[NH+](C)C[C@@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)c1ccc(F)cc1 ZINC000857258895 882149862 /nfs/dbraw/zinc/14/98/62/882149862.db2.gz IYVQQRSNEUFVPZ-IFMALSPDSA-N 2 1 383.511 3.668 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000156815988 868472902 /nfs/dbraw/zinc/47/29/02/868472902.db2.gz NLEAAYVETRBOAH-RPWUZVMVSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@H]1CN(c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2)C[C@H](C)O1 ZINC000157140802 868570573 /nfs/dbraw/zinc/57/05/73/868570573.db2.gz OOOYHDLWKMFNKT-OALUTQOASA-N 2 1 386.584 3.582 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH+](C)C2)cc1 ZINC000457673942 868596436 /nfs/dbraw/zinc/59/64/36/868596436.db2.gz ZQYCFVWECHPCJC-PZJWPPBQSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000457673942 868596444 /nfs/dbraw/zinc/59/64/44/868596444.db2.gz ZQYCFVWECHPCJC-PZJWPPBQSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000457673942 868596450 /nfs/dbraw/zinc/59/64/50/868596450.db2.gz ZQYCFVWECHPCJC-PZJWPPBQSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000157606916 868702094 /nfs/dbraw/zinc/70/20/94/868702094.db2.gz DZOHTEGJWGPYMB-HDICACEKSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000157606916 868702096 /nfs/dbraw/zinc/70/20/96/868702096.db2.gz DZOHTEGJWGPYMB-HDICACEKSA-N 2 1 399.501 3.618 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000744807294 869100410 /nfs/dbraw/zinc/10/04/10/869100410.db2.gz UYPCBOKYLIWXLV-LJQANCHMSA-N 2 1 378.605 3.595 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000539491492 869232340 /nfs/dbraw/zinc/23/23/40/869232340.db2.gz PVWQBVNNXONFDQ-VWLOTQADSA-N 2 1 391.559 3.770 20 0 GHADMP Cc1ccc(C[C@@H](C)[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000524594888 869322527 /nfs/dbraw/zinc/32/25/27/869322527.db2.gz ZIZKEZXJPFRQQJ-OAQYLSRUSA-N 2 1 393.575 3.770 20 0 GHADMP CCCOc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000428430559 869346949 /nfs/dbraw/zinc/34/69/49/869346949.db2.gz IESBZIOSQUNPPE-DEOSSOPVSA-N 2 1 398.547 3.553 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793586943 882292561 /nfs/dbraw/zinc/29/25/61/882292561.db2.gz GVTUVAPGCMQNPC-HXUWFJFHSA-N 2 1 390.959 3.518 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793586943 882292571 /nfs/dbraw/zinc/29/25/71/882292571.db2.gz GVTUVAPGCMQNPC-HXUWFJFHSA-N 2 1 390.959 3.518 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC3([NH+](C)C)CCC3)cc2)C1 ZINC000446133962 869420563 /nfs/dbraw/zinc/42/05/63/869420563.db2.gz BOODRLFXBPIPHS-IBGZPJMESA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000793604225 882308753 /nfs/dbraw/zinc/30/87/53/882308753.db2.gz CXRPTISTYMNXDG-QWFCFKBJSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000793604225 882308769 /nfs/dbraw/zinc/30/87/69/882308769.db2.gz CXRPTISTYMNXDG-QWFCFKBJSA-N 2 1 375.557 3.932 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000524923854 869793951 /nfs/dbraw/zinc/79/39/51/869793951.db2.gz CXRHJSSZHAJCIR-FPOVZHCZSA-N 2 1 388.600 3.659 20 0 GHADMP COc1ccc([C@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000539809045 869822203 /nfs/dbraw/zinc/82/22/03/869822203.db2.gz ASPFMQRTCFLIHX-HSZRJFAPSA-N 2 1 385.527 3.541 20 0 GHADMP Cc1nn2c(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)c(C)nc2s1 ZINC000539820956 869851865 /nfs/dbraw/zinc/85/18/65/869851865.db2.gz SLPJGNBXHRLEQY-UHFFFAOYSA-N 2 1 395.576 3.896 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000539872090 869941035 /nfs/dbraw/zinc/94/10/35/869941035.db2.gz GHNOVVYVZYLKHA-UGKGYDQZSA-N 2 1 386.584 3.907 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000525107180 869988442 /nfs/dbraw/zinc/98/84/42/869988442.db2.gz OUQHFKOCQPRHSO-MZKRTTBSSA-N 2 1 385.596 3.518 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000546613841 870016686 /nfs/dbraw/zinc/01/66/86/870016686.db2.gz YXKBEFSATYYNQO-UHFFFAOYSA-N 2 1 381.358 3.936 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000446573787 870024553 /nfs/dbraw/zinc/02/45/53/870024553.db2.gz QFPMJAZMYSAUEK-UHFFFAOYSA-N 2 1 394.563 3.749 20 0 GHADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccnn1C1CCCC1 ZINC000122017146 882381021 /nfs/dbraw/zinc/38/10/21/882381021.db2.gz LBGAAOAWSGBALX-UHFFFAOYSA-N 2 1 387.572 3.525 20 0 GHADMP O=C(NCCCCCCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746320109 870270642 /nfs/dbraw/zinc/27/06/42/870270642.db2.gz DCUHBAMDFHCXBK-RBBKRZOGSA-N 2 1 390.616 3.691 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000540045878 870298562 /nfs/dbraw/zinc/29/85/62/870298562.db2.gz ZHODKKWUROKFPF-HSZRJFAPSA-N 2 1 397.563 3.677 20 0 GHADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc4c2OCCO4)CC3)cc1 ZINC000538724633 870431629 /nfs/dbraw/zinc/43/16/29/870431629.db2.gz UJHIORKPMAIFCZ-UHFFFAOYSA-N 2 1 378.516 3.946 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC3 ZINC000248459039 870439179 /nfs/dbraw/zinc/43/91/79/870439179.db2.gz VHJIHIIJTHXDQM-NHCUHLMSSA-N 2 1 389.543 3.690 20 0 GHADMP COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)oc21 ZINC000248464909 870443767 /nfs/dbraw/zinc/44/37/67/870443767.db2.gz ZRBBWHKFCJYOMN-OXJNMPFZSA-N 2 1 380.488 3.859 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000248538522 870479478 /nfs/dbraw/zinc/47/94/78/870479478.db2.gz ALVDCDRUGMKEKS-VXIBKDFQSA-N 2 1 375.532 3.634 20 0 GHADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000248538522 870479489 /nfs/dbraw/zinc/47/94/89/870479489.db2.gz ALVDCDRUGMKEKS-VXIBKDFQSA-N 2 1 375.532 3.634 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248547744 870480754 /nfs/dbraw/zinc/48/07/54/870480754.db2.gz GISIFJVDCOHKFM-DCEDVJGZSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000248547744 870480758 /nfs/dbraw/zinc/48/07/58/870480758.db2.gz GISIFJVDCOHKFM-DCEDVJGZSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000248547744 870480763 /nfs/dbraw/zinc/48/07/63/870480763.db2.gz GISIFJVDCOHKFM-DCEDVJGZSA-N 2 1 392.591 3.792 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000248547744 870480767 /nfs/dbraw/zinc/48/07/67/870480767.db2.gz GISIFJVDCOHKFM-DCEDVJGZSA-N 2 1 392.591 3.792 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616126 870540653 /nfs/dbraw/zinc/54/06/53/870540653.db2.gz YZQGYAYIPKZINF-FUHIMQAGSA-N 2 1 389.609 3.827 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248616126 870540662 /nfs/dbraw/zinc/54/06/62/870540662.db2.gz YZQGYAYIPKZINF-FUHIMQAGSA-N 2 1 389.609 3.827 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc2c1OCO2 ZINC000538762581 870601475 /nfs/dbraw/zinc/60/14/75/870601475.db2.gz YAABKRVAOICGGG-UHFFFAOYSA-N 2 1 394.515 3.912 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000463007704 870653950 /nfs/dbraw/zinc/65/39/50/870653950.db2.gz GWBLBEHTHQCHFN-XXBNENTESA-N 2 1 398.595 3.603 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000249090655 870751621 /nfs/dbraw/zinc/75/16/21/870751621.db2.gz DBNLCGPPVOPOIC-QYZOEREBSA-N 2 1 397.485 3.595 20 0 GHADMP CN(C)Cc1ccsc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000446966657 870783478 /nfs/dbraw/zinc/78/34/78/870783478.db2.gz PLXJQAONDOZUGN-UHFFFAOYSA-N 2 1 385.577 3.590 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000446966657 870783482 /nfs/dbraw/zinc/78/34/82/870783482.db2.gz PLXJQAONDOZUGN-UHFFFAOYSA-N 2 1 385.577 3.590 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000539053413 871183892 /nfs/dbraw/zinc/18/38/92/871183892.db2.gz PWBPJKPVTWMBTA-AEFFLSMTSA-N 2 1 393.453 3.979 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](Cc3ccccc3)CC(C)C)CC2)C1 ZINC001169086289 871192453 /nfs/dbraw/zinc/19/24/53/871192453.db2.gz TXLJSFBHDSKERB-GGAORHGYSA-N 2 1 386.580 3.993 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169118766 871208318 /nfs/dbraw/zinc/20/83/18/871208318.db2.gz NEZCNMKUEYTZEM-REPLKXPHSA-N 2 1 395.469 3.525 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463241936 871248220 /nfs/dbraw/zinc/24/82/20/871248220.db2.gz FZIBWQILYJZVEZ-XBYSBRQOSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463241936 871248232 /nfs/dbraw/zinc/24/82/32/871248232.db2.gz FZIBWQILYJZVEZ-XBYSBRQOSA-N 2 1 383.580 3.810 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)O2 ZINC001193744084 871259701 /nfs/dbraw/zinc/25/97/01/871259701.db2.gz YDNDDOZOGYNRJO-GMAHTHKFSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)O2 ZINC001193744084 871259720 /nfs/dbraw/zinc/25/97/20/871259720.db2.gz YDNDDOZOGYNRJO-GMAHTHKFSA-N 2 1 380.532 3.889 20 0 GHADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000461998247 871415049 /nfs/dbraw/zinc/41/50/49/871415049.db2.gz XWOBJCDVYCUPSU-UNMCSNQZSA-N 2 1 388.600 3.660 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001169508781 871573964 /nfs/dbraw/zinc/57/39/64/871573964.db2.gz RMZGWSYHFMYRSB-GMKZXUHWSA-N 2 1 383.580 3.622 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC001169553885 871633451 /nfs/dbraw/zinc/63/34/51/871633451.db2.gz GAXCBPHDWFQMMM-LPHOPBHVSA-N 2 1 388.474 3.854 20 0 GHADMP CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC001194336069 871652168 /nfs/dbraw/zinc/65/21/68/871652168.db2.gz JIXNCYHOKIFQHS-ZWKOTPCHSA-N 2 1 375.582 3.684 20 0 GHADMP CCOC(=O)N1CCC[C@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169703541 871785927 /nfs/dbraw/zinc/78/59/27/871785927.db2.gz MECNCULRKQFCPY-JTHBVZDNSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169703541 871785935 /nfs/dbraw/zinc/78/59/35/871785935.db2.gz MECNCULRKQFCPY-JTHBVZDNSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169703541 871785946 /nfs/dbraw/zinc/78/59/46/871785946.db2.gz MECNCULRKQFCPY-JTHBVZDNSA-N 2 1 385.552 3.595 20 0 GHADMP CC1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000618666131 871816269 /nfs/dbraw/zinc/81/62/69/871816269.db2.gz VYLPMCRUOTWACO-NRFANRHFSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462191680 871823523 /nfs/dbraw/zinc/82/35/23/871823523.db2.gz WCIBSWRKMOCXFO-HYBUGGRVSA-N 2 1 391.559 3.535 20 0 GHADMP c1[nH+]c2cc(NCc3cccnc3N3CCCC3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001169855381 871946699 /nfs/dbraw/zinc/94/66/99/871946699.db2.gz GSZDPPTXRCLKPZ-HXUWFJFHSA-N 2 1 390.535 3.958 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000552063162 871964047 /nfs/dbraw/zinc/96/40/47/871964047.db2.gz QTVHUYMRWGVNJY-KEZOAJOQSA-N 2 1 398.591 3.995 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2ccccc2[nH]1 ZINC000775627065 872084536 /nfs/dbraw/zinc/08/45/36/872084536.db2.gz KYZBIHDCOIIMMU-DYESRHJHSA-N 2 1 390.531 3.716 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000093643713 872315108 /nfs/dbraw/zinc/31/51/08/872315108.db2.gz OFCYASHHDYDXPM-HIFRSBDPSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000093643713 872315127 /nfs/dbraw/zinc/31/51/27/872315127.db2.gz OFCYASHHDYDXPM-HIFRSBDPSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[NH+]1C ZINC000093643713 872315142 /nfs/dbraw/zinc/31/51/42/872315142.db2.gz OFCYASHHDYDXPM-HIFRSBDPSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[NH+]1C ZINC000093643713 872315163 /nfs/dbraw/zinc/31/51/63/872315163.db2.gz OFCYASHHDYDXPM-HIFRSBDPSA-N 2 1 383.330 3.525 20 0 GHADMP c1nc2n(c1C[NH2+][C@@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000552276745 872375964 /nfs/dbraw/zinc/37/59/64/872375964.db2.gz IRKVXVUOKYWEDX-ACIOBRDBSA-N 2 1 378.564 4.000 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000447966108 872574393 /nfs/dbraw/zinc/57/43/93/872574393.db2.gz RADABPURSAFBRT-NQIIRXRSSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619404360 872615840 /nfs/dbraw/zinc/61/58/40/872615840.db2.gz DLVKUMVIRQRPRX-HBMCJLEFSA-N 2 1 392.632 3.650 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@@H]1C ZINC000619428825 872641182 /nfs/dbraw/zinc/64/11/82/872641182.db2.gz XMAROVHTUGJUSI-OXBGMMKJSA-N 2 1 384.564 3.855 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCc3n[nH]c4ccccc43)CCCC2)CC1 ZINC000541155053 873036858 /nfs/dbraw/zinc/03/68/58/873036858.db2.gz FQUVMKIGUDCKLI-GOSISDBHSA-N 2 1 384.568 3.897 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1(F)F ZINC001196563190 873176306 /nfs/dbraw/zinc/17/63/06/873176306.db2.gz LIHYZYYOUUJSRO-LJQANCHMSA-N 2 1 380.479 3.693 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCC1(F)F ZINC001196563190 873176312 /nfs/dbraw/zinc/17/63/12/873176312.db2.gz LIHYZYYOUUJSRO-LJQANCHMSA-N 2 1 380.479 3.693 20 0 GHADMP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502778 873342102 /nfs/dbraw/zinc/34/21/02/873342102.db2.gz POEUFSZIOIBHNV-YADHBBJMSA-N 2 1 390.531 3.989 20 0 GHADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502778 873342118 /nfs/dbraw/zinc/34/21/18/873342118.db2.gz POEUFSZIOIBHNV-YADHBBJMSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502778 873342135 /nfs/dbraw/zinc/34/21/35/873342135.db2.gz POEUFSZIOIBHNV-YADHBBJMSA-N 2 1 390.531 3.989 20 0 GHADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ncc3cccc(OCc4ccccc4)c32)C1 ZINC000768502778 873342146 /nfs/dbraw/zinc/34/21/46/873342146.db2.gz POEUFSZIOIBHNV-YADHBBJMSA-N 2 1 390.531 3.989 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527672612 873434487 /nfs/dbraw/zinc/43/44/87/873434487.db2.gz BFUBVSQIDZOETP-RTBURBONSA-N 2 1 386.458 3.572 20 0 GHADMP OC1(C[NH2+]Cc2c(F)ccc(F)c2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000527720931 873529047 /nfs/dbraw/zinc/52/90/47/873529047.db2.gz KPUWMWCFTQYDBP-UHFFFAOYSA-N 2 1 380.866 3.735 20 0 GHADMP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001197283382 873710588 /nfs/dbraw/zinc/71/05/88/873710588.db2.gz BFBYPLRBJJLOAL-HNNXBMFYSA-N 2 1 392.544 3.960 20 0 GHADMP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001197283382 873710599 /nfs/dbraw/zinc/71/05/99/873710599.db2.gz BFBYPLRBJJLOAL-HNNXBMFYSA-N 2 1 392.544 3.960 20 0 GHADMP C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cc(F)c(Br)cc1F ZINC000527899384 873734734 /nfs/dbraw/zinc/73/47/34/873734734.db2.gz VGVCNMXKRZBBKE-OLZOCXBDSA-N 2 1 391.300 3.879 20 0 GHADMP Cc1cncc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550881750 882761142 /nfs/dbraw/zinc/76/11/42/882761142.db2.gz CGPPVZXKUCYRNE-OFNKIYASSA-N 2 1 379.548 3.969 20 0 GHADMP CC1CC[NH+](Cc2ccc(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)cc2)CC1 ZINC000448721454 873815874 /nfs/dbraw/zinc/81/58/74/873815874.db2.gz XFZMLGOKXQBNON-UHFFFAOYSA-N 2 1 375.476 3.752 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000448719061 873848126 /nfs/dbraw/zinc/84/81/26/873848126.db2.gz DURUIQIPPSPGTF-KRWDZBQOSA-N 2 1 375.476 3.894 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000448719061 873848139 /nfs/dbraw/zinc/84/81/39/873848139.db2.gz DURUIQIPPSPGTF-KRWDZBQOSA-N 2 1 375.476 3.894 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769212647 873894231 /nfs/dbraw/zinc/89/42/31/873894231.db2.gz OKEIMSQWSVGTSF-UHFFFAOYSA-N 2 1 376.541 3.827 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769212647 873894244 /nfs/dbraw/zinc/89/42/44/873894244.db2.gz OKEIMSQWSVGTSF-UHFFFAOYSA-N 2 1 376.541 3.827 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000541600869 873923284 /nfs/dbraw/zinc/92/32/84/873923284.db2.gz ANSOUZBVSPLALQ-XZOYJPPVSA-N 2 1 383.580 3.805 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000541600869 873923289 /nfs/dbraw/zinc/92/32/89/873923289.db2.gz ANSOUZBVSPLALQ-XZOYJPPVSA-N 2 1 383.580 3.805 20 0 GHADMP C[C@H](C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000769677047 874228035 /nfs/dbraw/zinc/22/80/35/874228035.db2.gz DBGOLQZAFUSDJY-ZWKOTPCHSA-N 2 1 375.557 3.932 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000528283734 874305098 /nfs/dbraw/zinc/30/50/98/874305098.db2.gz DBQUMUSEYOKVFO-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000528283734 874305111 /nfs/dbraw/zinc/30/51/11/874305111.db2.gz DBQUMUSEYOKVFO-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528283734 874305123 /nfs/dbraw/zinc/30/51/23/874305123.db2.gz DBQUMUSEYOKVFO-QHCPKHFHSA-N 2 1 398.595 3.557 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnn3C3CCCC3)CC2)CC1 ZINC000449037798 874381233 /nfs/dbraw/zinc/38/12/33/874381233.db2.gz PAXLGKKMVILXPU-UHFFFAOYSA-N 2 1 387.616 3.626 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000449079800 874462647 /nfs/dbraw/zinc/46/26/47/874462647.db2.gz QCAHCPCGPSEXQL-HXUWFJFHSA-N 2 1 391.559 3.999 20 0 GHADMP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122334 874506150 /nfs/dbraw/zinc/50/61/50/874506150.db2.gz KYHVQINRPFOJST-WIYYLYMNSA-N 2 1 392.609 3.828 20 0 GHADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000541909326 874508548 /nfs/dbraw/zinc/50/85/48/874508548.db2.gz HGDCASLNKXLWCS-IRLDBZIGSA-N 2 1 391.506 3.623 20 0 GHADMP COc1ccc(-n2cc(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222004 874612371 /nfs/dbraw/zinc/61/23/71/874612371.db2.gz BUZWNWRPJQUTPB-UGKGYDQZSA-N 2 1 390.531 3.881 20 0 GHADMP COc1ccc(-n2cc(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2)cc1 ZINC000449222004 874612378 /nfs/dbraw/zinc/61/23/78/874612378.db2.gz BUZWNWRPJQUTPB-UGKGYDQZSA-N 2 1 390.531 3.881 20 0 GHADMP C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464845308 874627318 /nfs/dbraw/zinc/62/73/18/874627318.db2.gz MPASOCLLMHOJSO-CTNGQTDRSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@H](O)COc1ccc(Cl)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464845308 874627325 /nfs/dbraw/zinc/62/73/25/874627325.db2.gz MPASOCLLMHOJSO-CTNGQTDRSA-N 2 1 388.939 3.534 20 0 GHADMP C[NH+](C[C@H](O)COc1ccc(Cl)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464845308 874627334 /nfs/dbraw/zinc/62/73/34/874627334.db2.gz MPASOCLLMHOJSO-CTNGQTDRSA-N 2 1 388.939 3.534 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccnc3c(Br)cccc23)CCCO1 ZINC000449281257 874665172 /nfs/dbraw/zinc/66/51/72/874665172.db2.gz CVCKCKGIQIOOJZ-HNNXBMFYSA-N 2 1 392.341 3.588 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(Cl)cc(Cl)c2N)c2cccs2)CC1 ZINC001198969509 874733704 /nfs/dbraw/zinc/73/37/04/874733704.db2.gz PXTWYGNITKFRAH-MRXNPFEDSA-N 2 1 399.391 3.715 20 0 GHADMP C[C@H]1C(=O)N(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1ccccc1 ZINC000770651557 874825245 /nfs/dbraw/zinc/82/52/45/874825245.db2.gz PBSSVSCMYDFMFU-XXBNENTESA-N 2 1 392.547 3.797 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507239 874971677 /nfs/dbraw/zinc/97/16/77/874971677.db2.gz SURIZDNGHYKXNS-LADGPHEKSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507239 874971685 /nfs/dbraw/zinc/97/16/85/874971685.db2.gz SURIZDNGHYKXNS-LADGPHEKSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507239 874971693 /nfs/dbraw/zinc/97/16/93/874971693.db2.gz SURIZDNGHYKXNS-LADGPHEKSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H](c3ccccc3)C(C)C)C2)CC1 ZINC000449507239 874971701 /nfs/dbraw/zinc/97/17/01/874971701.db2.gz SURIZDNGHYKXNS-LADGPHEKSA-N 2 1 385.596 3.692 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508964 874973620 /nfs/dbraw/zinc/97/36/20/874973620.db2.gz VQKPGOVQGHRDBE-QUCCMNQESA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508964 874973624 /nfs/dbraw/zinc/97/36/24/874973624.db2.gz VQKPGOVQGHRDBE-QUCCMNQESA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508964 874973629 /nfs/dbraw/zinc/97/36/29/874973629.db2.gz VQKPGOVQGHRDBE-QUCCMNQESA-N 2 1 391.987 3.710 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H](C)c3cccc(Cl)c3)C2)CC1 ZINC000449508964 874973635 /nfs/dbraw/zinc/97/36/35/874973635.db2.gz VQKPGOVQGHRDBE-QUCCMNQESA-N 2 1 391.987 3.710 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000542233485 875192889 /nfs/dbraw/zinc/19/28/89/875192889.db2.gz OBOABHLZPKXIQH-GOTSBHOMSA-N 2 1 379.548 3.921 20 0 GHADMP C[N@H+]1CC[C@H](NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1(C)C ZINC000858185022 882918718 /nfs/dbraw/zinc/91/87/18/882918718.db2.gz ZIMRWYSCOGQMAC-KRWDZBQOSA-N 2 1 379.520 3.813 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CCc1ccccc1)CC2 ZINC001201596350 875748798 /nfs/dbraw/zinc/74/87/98/875748798.db2.gz FJDAQQACFJKCDA-FQEVSTJZSA-N 2 1 385.577 3.689 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCc1ccccc1)CC2 ZINC001201596350 875748805 /nfs/dbraw/zinc/74/88/05/875748805.db2.gz FJDAQQACFJKCDA-FQEVSTJZSA-N 2 1 385.577 3.689 20 0 GHADMP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000134634090 882964112 /nfs/dbraw/zinc/96/41/12/882964112.db2.gz ABYHGCHCRMCGIN-UGKGYDQZSA-N 2 1 386.584 3.726 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CCCc1ccccc1)CC2 ZINC001201660581 875819796 /nfs/dbraw/zinc/81/97/96/875819796.db2.gz KUOJVSQBNIRIDH-HSZRJFAPSA-N 2 1 379.548 3.770 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1Cl ZINC000465422531 882967447 /nfs/dbraw/zinc/96/74/47/882967447.db2.gz KGVRCJATSIOAKF-UWVAXJGDSA-N 2 1 392.975 3.601 20 0 GHADMP C[C@@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947047 875948689 /nfs/dbraw/zinc/94/86/89/875948689.db2.gz QNRGFOXIPVLBLK-ZIAGYGMSSA-N 2 1 382.451 3.759 20 0 GHADMP C[C@@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947047 875948699 /nfs/dbraw/zinc/94/86/99/875948699.db2.gz QNRGFOXIPVLBLK-ZIAGYGMSSA-N 2 1 382.451 3.759 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001201954588 875952562 /nfs/dbraw/zinc/95/25/62/875952562.db2.gz RKCHDTMVQQRLFV-IBGZPJMESA-N 2 1 382.401 3.701 20 0 GHADMP C[N@H+]1CC[C@H](NCc2ccc(I)c(Cl)c2)CC1(C)C ZINC001202157412 876034438 /nfs/dbraw/zinc/03/44/38/876034438.db2.gz ASPRDILZOPDMGP-LBPRGKRZSA-N 2 1 392.712 3.907 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(Cl)c2)CC1(C)C ZINC001202157412 876034451 /nfs/dbraw/zinc/03/44/51/876034451.db2.gz ASPRDILZOPDMGP-LBPRGKRZSA-N 2 1 392.712 3.907 20 0 GHADMP CC(C)(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000108420557 876465765 /nfs/dbraw/zinc/46/57/65/876465765.db2.gz YVDODPBQWURYKU-QFIPXVFZSA-N 2 1 393.575 3.971 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000850507225 876980550 /nfs/dbraw/zinc/98/05/50/876980550.db2.gz IEMQFFIASXGKAD-GUYCJALGSA-N 2 1 394.346 3.993 20 0 GHADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+]1CCC(C)CC1 ZINC000174385912 876998673 /nfs/dbraw/zinc/99/86/73/876998673.db2.gz MERIRTFXLCFAJV-GGPKGHCWSA-N 2 1 392.613 3.551 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000174453982 877033033 /nfs/dbraw/zinc/03/30/33/877033033.db2.gz RNFWKKXOQBYDLI-DENIHFKCSA-N 2 1 386.584 3.687 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000850576259 877044600 /nfs/dbraw/zinc/04/46/00/877044600.db2.gz IODVOYIFGJLNCD-XXBNENTESA-N 2 1 392.547 3.607 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000530127126 877149431 /nfs/dbraw/zinc/14/94/31/877149431.db2.gz WJOUIZXOXWHESV-QHCPKHFHSA-N 2 1 395.547 3.935 20 0 GHADMP FC(F)(F)c1ncccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000530223038 877307110 /nfs/dbraw/zinc/30/71/10/877307110.db2.gz LLYGUOONQFPSLQ-UHFFFAOYSA-N 2 1 393.457 3.670 20 0 GHADMP FC(F)(F)c1ncccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000530223038 877307130 /nfs/dbraw/zinc/30/71/30/877307130.db2.gz LLYGUOONQFPSLQ-UHFFFAOYSA-N 2 1 393.457 3.670 20 0 GHADMP C[C@H]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000175012670 877403093 /nfs/dbraw/zinc/40/30/93/877403093.db2.gz KCSWMAFZKCEWRF-FQEVSTJZSA-N 2 1 394.563 3.554 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1Cl ZINC000642634545 912232343 /nfs/dbraw/zinc/23/23/43/912232343.db2.gz YDYPLFUTMWSERX-SFHVURJKSA-N 2 1 380.964 3.506 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c2)cc1 ZINC000666996874 877428193 /nfs/dbraw/zinc/42/81/93/877428193.db2.gz JXAJQIVVFUILGL-HXUWFJFHSA-N 2 1 379.504 3.712 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551699035 877665711 /nfs/dbraw/zinc/66/57/11/877665711.db2.gz JMGXHMRUOPUCEO-JSRBNTPPSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699035 877665729 /nfs/dbraw/zinc/66/57/29/877665729.db2.gz JMGXHMRUOPUCEO-JSRBNTPPSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000551699035 877665742 /nfs/dbraw/zinc/66/57/42/877665742.db2.gz JMGXHMRUOPUCEO-JSRBNTPPSA-N 2 1 385.596 3.615 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC4(CCC([NH+](C)C)CC4)CC3)CC2)[nH+]c1 ZINC000615439970 877738700 /nfs/dbraw/zinc/73/87/00/877738700.db2.gz GWFKBPKFMQMKKI-UHFFFAOYSA-N 2 1 398.595 3.719 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000851803631 877916039 /nfs/dbraw/zinc/91/60/39/877916039.db2.gz UFKPIVXJYKURCL-SXLOBPIMSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000851803631 877916047 /nfs/dbraw/zinc/91/60/47/877916047.db2.gz UFKPIVXJYKURCL-SXLOBPIMSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000851803631 877916059 /nfs/dbraw/zinc/91/60/59/877916059.db2.gz UFKPIVXJYKURCL-SXLOBPIMSA-N 2 1 398.484 3.556 20 0 GHADMP CCOP(=O)(OCC)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000851803631 877916069 /nfs/dbraw/zinc/91/60/69/877916069.db2.gz UFKPIVXJYKURCL-SXLOBPIMSA-N 2 1 398.484 3.556 20 0 GHADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(N4CC[NH+](CC)CC4)cc3)c2C1 ZINC000175941181 878003881 /nfs/dbraw/zinc/00/38/81/878003881.db2.gz WMEHCUIGCYNLOZ-UHFFFAOYSA-N 2 1 392.547 3.806 20 0 GHADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(N4CC[NH+](CC)CC4)cc3)c2C1 ZINC000175941181 878003898 /nfs/dbraw/zinc/00/38/98/878003898.db2.gz WMEHCUIGCYNLOZ-UHFFFAOYSA-N 2 1 392.547 3.806 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788538083 878133433 /nfs/dbraw/zinc/13/34/33/878133433.db2.gz DYSVIFMWOPUBGL-HDICACEKSA-N 2 1 379.589 3.734 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000285506611 912317915 /nfs/dbraw/zinc/31/79/15/912317915.db2.gz QKFAWTZRKSGYOG-LLVKDONJSA-N 2 1 388.821 3.871 20 0 GHADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000530632495 878202668 /nfs/dbraw/zinc/20/26/68/878202668.db2.gz YZAVOSRLLPBOMY-HXUWFJFHSA-N 2 1 377.492 3.573 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccccc2N2CCOCC2)C3)cc1 ZINC000245653426 878292498 /nfs/dbraw/zinc/29/24/98/878292498.db2.gz CZVZGBZANFIDPY-JOZNFPNDSA-N 2 1 391.559 3.808 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000530727904 878401717 /nfs/dbraw/zinc/40/17/17/878401717.db2.gz PLORRFZBKAEPQI-KNQAVFIVSA-N 2 1 392.547 3.558 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CC(=O)N([C@@H]4C[C@H]4c4ccccc4)C3)CC2)C1 ZINC000537984784 878623608 /nfs/dbraw/zinc/62/36/08/878623608.db2.gz JEEJKBPICLYFAD-CJNUZUDLSA-N 2 1 395.591 3.776 20 0 GHADMP COCC[NH+]1CCC([NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000537989670 878631764 /nfs/dbraw/zinc/63/17/64/878631764.db2.gz CGOGYJLPUBHXRP-SGAUDOEVSA-N 2 1 376.544 3.984 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000530905472 878722666 /nfs/dbraw/zinc/72/26/66/878722666.db2.gz SBFRUJXDUWBOJA-FQEVSTJZSA-N 2 1 379.548 3.962 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1)CC(C)C ZINC000538057983 878773124 /nfs/dbraw/zinc/77/31/24/878773124.db2.gz KCIDIIOZTTVTDC-LJQANCHMSA-N 2 1 391.604 3.617 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1)CC(C)C ZINC000538057983 878773168 /nfs/dbraw/zinc/77/31/68/878773168.db2.gz KCIDIIOZTTVTDC-LJQANCHMSA-N 2 1 391.604 3.617 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000245940942 878782631 /nfs/dbraw/zinc/78/26/31/878782631.db2.gz JWYIZLRCAILTPF-GOTSBHOMSA-N 2 1 398.595 3.688 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C[C@@H]2C1 ZINC000853093033 878809713 /nfs/dbraw/zinc/80/97/13/878809713.db2.gz ZTKYNRAESPPYMB-MHTWAQMVSA-N 2 1 391.600 3.734 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452018680 878816117 /nfs/dbraw/zinc/81/61/17/878816117.db2.gz CXHLZGMARQZQHZ-RBUKOAKNSA-N 2 1 380.458 3.592 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000530952807 878832177 /nfs/dbraw/zinc/83/21/77/878832177.db2.gz SDMYOBJQYPPFMI-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000530952807 878832183 /nfs/dbraw/zinc/83/21/83/878832183.db2.gz SDMYOBJQYPPFMI-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000530952807 878832188 /nfs/dbraw/zinc/83/21/88/878832188.db2.gz SDMYOBJQYPPFMI-CTNGQTDRSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000789357736 878845359 /nfs/dbraw/zinc/84/53/59/878845359.db2.gz MTPFAGUUCWGART-QGZVFWFLSA-N 2 1 388.556 3.656 20 0 GHADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000285703416 912397434 /nfs/dbraw/zinc/39/74/34/912397434.db2.gz PFRJRZCNEZIGNA-OEMFJLHTSA-N 2 1 397.607 3.914 20 0 GHADMP OCCC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H](CCCO)C3)c2)C1 ZINC000452119788 878968296 /nfs/dbraw/zinc/96/82/96/878968296.db2.gz LDMWASUQTNAHRM-RTBURBONSA-N 2 1 394.987 3.529 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+](C2CC2)C1 ZINC000452175306 879045386 /nfs/dbraw/zinc/04/53/86/879045386.db2.gz SLNNBEYNGGROHZ-FQEVSTJZSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+](C2CC2)C1 ZINC000452175306 879045400 /nfs/dbraw/zinc/04/54/00/879045400.db2.gz SLNNBEYNGGROHZ-FQEVSTJZSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+](C2CC2)C1 ZINC000452175306 879045420 /nfs/dbraw/zinc/04/54/20/879045420.db2.gz SLNNBEYNGGROHZ-FQEVSTJZSA-N 2 1 391.559 3.875 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178258064 879061854 /nfs/dbraw/zinc/06/18/54/879061854.db2.gz TUQSAEHHQRZMMZ-KRWDZBQOSA-N 2 1 390.593 3.928 20 0 GHADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000178411436 879110337 /nfs/dbraw/zinc/11/03/37/879110337.db2.gz NPYMLDVXYXYZKI-GOSISDBHSA-N 2 1 378.582 3.930 20 0 GHADMP C[C@@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C(C)(C)C[NH+](C)C ZINC000246386015 879494265 /nfs/dbraw/zinc/49/42/65/879494265.db2.gz AIOSXJXMIDXWCN-RTBURBONSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000246459150 879581909 /nfs/dbraw/zinc/58/19/09/879581909.db2.gz FHKKKHLKKNAJEO-ANJVHQHFSA-N 2 1 391.559 3.966 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)cc1F ZINC000914380852 879770678 /nfs/dbraw/zinc/77/06/78/879770678.db2.gz YMLURSHAXVOWIC-UHFFFAOYSA-N 2 1 399.514 3.526 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000246767074 879797506 /nfs/dbraw/zinc/79/75/06/879797506.db2.gz HXIMYYGBPCNQBI-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000246767074 879797511 /nfs/dbraw/zinc/79/75/11/879797511.db2.gz HXIMYYGBPCNQBI-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000246767074 879797522 /nfs/dbraw/zinc/79/75/22/879797522.db2.gz HXIMYYGBPCNQBI-PTUXOGIPSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139791 879826400 /nfs/dbraw/zinc/82/64/00/879826400.db2.gz VZVJODSXSVXQCG-OYYPCOLYSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001170139791 879826415 /nfs/dbraw/zinc/82/64/15/879826415.db2.gz VZVJODSXSVXQCG-OYYPCOLYSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@@H]1CC[C@@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001170139791 879826433 /nfs/dbraw/zinc/82/64/33/879826433.db2.gz VZVJODSXSVXQCG-OYYPCOLYSA-N 2 1 383.580 3.821 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246924929 879851035 /nfs/dbraw/zinc/85/10/35/879851035.db2.gz NBYQIWWCEKLWBL-PMVMPFDFSA-N 2 1 399.579 3.555 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247046944 879899178 /nfs/dbraw/zinc/89/91/78/879899178.db2.gz ZEEPEUSAWUKDCR-NWSQWKLXSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247046944 879899187 /nfs/dbraw/zinc/89/91/87/879899187.db2.gz ZEEPEUSAWUKDCR-NWSQWKLXSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247046944 879899198 /nfs/dbraw/zinc/89/91/98/879899198.db2.gz ZEEPEUSAWUKDCR-NWSQWKLXSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247046944 879899207 /nfs/dbraw/zinc/89/92/07/879899207.db2.gz ZEEPEUSAWUKDCR-NWSQWKLXSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247046944 879899210 /nfs/dbraw/zinc/89/92/10/879899210.db2.gz ZEEPEUSAWUKDCR-NWSQWKLXSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247046944 879899223 /nfs/dbraw/zinc/89/92/23/879899223.db2.gz ZEEPEUSAWUKDCR-NWSQWKLXSA-N 2 1 383.580 3.761 20 0 GHADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247046944 879899239 /nfs/dbraw/zinc/89/92/39/879899239.db2.gz ZEEPEUSAWUKDCR-NWSQWKLXSA-N 2 1 383.580 3.761 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000247077019 879911540 /nfs/dbraw/zinc/91/15/40/879911540.db2.gz VLCBNPNDMQCKAA-ZWKOTPCHSA-N 2 1 378.605 3.592 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000247091389 879916105 /nfs/dbraw/zinc/91/61/05/879916105.db2.gz PLFZGBILHVQYSS-ZWKOTPCHSA-N 2 1 382.504 3.529 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000247091389 879916118 /nfs/dbraw/zinc/91/61/18/879916118.db2.gz PLFZGBILHVQYSS-ZWKOTPCHSA-N 2 1 382.504 3.529 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000247119348 879923270 /nfs/dbraw/zinc/92/32/70/879923270.db2.gz YSVGYLWBSPOIJM-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)[C@@H](C)C1 ZINC000247129699 879927348 /nfs/dbraw/zinc/92/73/48/879927348.db2.gz ARLKAQDNAWXVSY-YYDVJCTNSA-N 2 1 384.568 3.968 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000247381263 879985906 /nfs/dbraw/zinc/98/59/06/879985906.db2.gz UJCSIQHXPFZMKK-WOJBJXKFSA-N 2 1 386.584 3.633 20 0 GHADMP C[C@H](OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000247450752 880000694 /nfs/dbraw/zinc/00/06/94/880000694.db2.gz HLKLJHQWGMOPNN-WFXMLNOXSA-N 2 1 380.960 3.586 20 0 GHADMP COC(=O)c1csc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000285969096 912520174 /nfs/dbraw/zinc/52/01/74/912520174.db2.gz GZPWLSXMZFVJKC-AWEZNQCLSA-N 2 1 391.537 3.702 20 0 GHADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531645731 880251117 /nfs/dbraw/zinc/25/11/17/880251117.db2.gz YKTALNBLPQSLBK-OAQYLSRUSA-N 2 1 389.584 3.705 20 0 GHADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000531677082 880306763 /nfs/dbraw/zinc/30/67/63/880306763.db2.gz DCONADCYVJCJPM-ZWKOTPCHSA-N 2 1 379.976 3.931 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cnc2ccsc2c1 ZINC000531676897 880307454 /nfs/dbraw/zinc/30/74/54/880307454.db2.gz MKVSKNBCVMOSTI-QAPCUYQASA-N 2 1 386.590 3.997 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)c1 ZINC000184752777 880374547 /nfs/dbraw/zinc/37/45/47/880374547.db2.gz WIHXYRFXBSKILE-WOJBJXKFSA-N 2 1 379.548 3.988 20 0 GHADMP COCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453053380 880401679 /nfs/dbraw/zinc/40/16/79/880401679.db2.gz AGKJAAMTFXYOFR-YTFSRNRJSA-N 2 1 395.547 3.640 20 0 GHADMP COCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453053380 880401699 /nfs/dbraw/zinc/40/16/99/880401699.db2.gz AGKJAAMTFXYOFR-YTFSRNRJSA-N 2 1 395.547 3.640 20 0 GHADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc2n1CCCC2 ZINC000453083166 880439755 /nfs/dbraw/zinc/43/97/55/880439755.db2.gz MXOTZRWAYDEFSF-VJBWXMMDSA-N 2 1 378.564 3.795 20 0 GHADMP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2)CC1 ZINC000776807829 880506973 /nfs/dbraw/zinc/50/69/73/880506973.db2.gz YPFZGVYZYXFYEH-YKSBVNFPSA-N 2 1 393.579 3.546 20 0 GHADMP CSC1(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000453259552 880692194 /nfs/dbraw/zinc/69/21/94/880692194.db2.gz UTIHRLNIWUJAOC-KRWDZBQOSA-N 2 1 378.973 3.580 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@H]2CCC[C@@H]21 ZINC000453334582 880803733 /nfs/dbraw/zinc/80/37/33/880803733.db2.gz FCLJRFAUVFATSI-DOSUHQCWSA-N 2 1 386.490 3.606 20 0 GHADMP Cc1ccc(OC(F)F)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000532046289 880990567 /nfs/dbraw/zinc/99/05/67/880990567.db2.gz UZDURZKPUSBYEE-QGZVFWFLSA-N 2 1 395.519 3.736 20 0 GHADMP C[NH+](C)C1CCC([N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001168329945 881111183 /nfs/dbraw/zinc/11/11/83/881111183.db2.gz LKRZMWDYSXIWIA-VIQWUECVSA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cnc(C3CCC3)s2)c2cccs2)CC1 ZINC000532113164 881116602 /nfs/dbraw/zinc/11/66/02/881116602.db2.gz SEBGHYBYVNDKFU-QGZVFWFLSA-N 2 1 376.595 3.550 20 0 GHADMP C[NH+](C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144457 881269705 /nfs/dbraw/zinc/26/97/05/881269705.db2.gz CZNQQICDVOARRF-ZFFYZDHPSA-N 2 1 377.576 3.945 20 0 GHADMP CN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144457 881269717 /nfs/dbraw/zinc/26/97/17/881269717.db2.gz CZNQQICDVOARRF-ZFFYZDHPSA-N 2 1 377.576 3.945 20 0 GHADMP CN(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000499144457 881269726 /nfs/dbraw/zinc/26/97/26/881269726.db2.gz CZNQQICDVOARRF-ZFFYZDHPSA-N 2 1 377.576 3.945 20 0 GHADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000429533467 881274301 /nfs/dbraw/zinc/27/43/01/881274301.db2.gz WTAGOTFAMUVDIE-KNQAVFIVSA-N 2 1 385.577 3.760 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170271374 881286516 /nfs/dbraw/zinc/28/65/16/881286516.db2.gz BSCJOZZRSNFTFT-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170271374 881286528 /nfs/dbraw/zinc/28/65/28/881286528.db2.gz BSCJOZZRSNFTFT-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170271374 881286543 /nfs/dbraw/zinc/28/65/43/881286543.db2.gz BSCJOZZRSNFTFT-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858492524 883144954 /nfs/dbraw/zinc/14/49/54/883144954.db2.gz YGGBWDLOLZUNSC-RBUKOAKNSA-N 2 1 385.552 3.553 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)[C@H](C)C1 ZINC000858500536 883154550 /nfs/dbraw/zinc/15/45/50/883154550.db2.gz IJUPCZSHRQSMFD-WTGUMLROSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000123184159 883157707 /nfs/dbraw/zinc/15/77/07/883157707.db2.gz GSUKAOMAWXIPPL-AVRDEDQJSA-N 2 1 395.551 3.902 20 0 GHADMP Cc1c(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000551184486 883415876 /nfs/dbraw/zinc/41/58/76/883415876.db2.gz DTAGAWDORVRTRO-LBPRGKRZSA-N 2 1 390.163 3.951 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000551278931 883589182 /nfs/dbraw/zinc/58/91/82/883589182.db2.gz YIUCYOLMDNHBGI-UHFFFAOYSA-N 2 1 376.438 3.936 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000859211923 883664345 /nfs/dbraw/zinc/66/43/45/883664345.db2.gz CVHCVYOXNZOIKB-FQEVSTJZSA-N 2 1 375.557 3.827 20 0 GHADMP C[NH+](C)[C@H]1CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000859278184 883714127 /nfs/dbraw/zinc/71/41/27/883714127.db2.gz MCMNOIYGYVWEFM-VXKWHMMOSA-N 4 1 396.740 3.527 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000551349632 883717717 /nfs/dbraw/zinc/71/77/17/883717717.db2.gz GPOYVZRWXWHOQK-UHFFFAOYSA-N 2 1 396.373 3.750 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)C1 ZINC000859294464 883724136 /nfs/dbraw/zinc/72/41/36/883724136.db2.gz NEHYNAVQFJQBQM-SFHVURJKSA-N 2 1 388.556 3.656 20 0 GHADMP CC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000542509169 883890189 /nfs/dbraw/zinc/89/01/89/883890189.db2.gz NHXUIJZZQLJNCW-HSZRJFAPSA-N 2 1 391.559 3.679 20 0 GHADMP Clc1cccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211911923 883974783 /nfs/dbraw/zinc/97/47/83/883974783.db2.gz VFCZZHGLLUQAQR-SFHVURJKSA-N 2 1 380.879 3.579 20 0 GHADMP Clc1cccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)c1 ZINC001211911923 883974787 /nfs/dbraw/zinc/97/47/87/883974787.db2.gz VFCZZHGLLUQAQR-SFHVURJKSA-N 2 1 380.879 3.579 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556217597 884116790 /nfs/dbraw/zinc/11/67/90/884116790.db2.gz NFWWVOHCMYAESI-NFBKMPQASA-N 2 1 379.548 3.523 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(F)cn1 ZINC000556232222 884178256 /nfs/dbraw/zinc/17/82/56/884178256.db2.gz IIAKXEFQBHEOCO-ICSRJNTNSA-N 2 1 383.511 3.800 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(F)cn1 ZINC000556232222 884178264 /nfs/dbraw/zinc/17/82/64/884178264.db2.gz IIAKXEFQBHEOCO-ICSRJNTNSA-N 2 1 383.511 3.800 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170496723 884302694 /nfs/dbraw/zinc/30/26/94/884302694.db2.gz LCHCAVMDUFBETH-KNJMJIDISA-N 2 1 379.589 3.969 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806130904 884388760 /nfs/dbraw/zinc/38/87/60/884388760.db2.gz DSINAGLMUXKEFZ-FQEVSTJZSA-N 2 1 384.955 3.650 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@H]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000806156754 884413032 /nfs/dbraw/zinc/41/30/32/884413032.db2.gz JMOGXHKTHCLCOR-HKUYNNGSSA-N 2 1 385.474 3.986 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000044276730 884812245 /nfs/dbraw/zinc/81/22/45/884812245.db2.gz OZDHMDUALMGSAB-UHFFFAOYSA-N 2 1 380.536 3.707 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2F)CC1 ZINC000806783254 884980730 /nfs/dbraw/zinc/98/07/30/884980730.db2.gz CSSICIUCHMABDG-IBGZPJMESA-N 2 1 390.547 3.559 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000107329309 885344214 /nfs/dbraw/zinc/34/42/14/885344214.db2.gz SJEDDOYEFDSGPX-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532442175 885453407 /nfs/dbraw/zinc/45/34/07/885453407.db2.gz ATFQZAJRISHQTD-VQTJNVASSA-N 2 1 385.577 3.849 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000550622311 885565431 /nfs/dbraw/zinc/56/54/31/885565431.db2.gz SPLUKVWLROPGRJ-OALUTQOASA-N 2 1 392.469 3.749 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000550622311 885565450 /nfs/dbraw/zinc/56/54/50/885565450.db2.gz SPLUKVWLROPGRJ-OALUTQOASA-N 2 1 392.469 3.749 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)Cn3c[nH+]c4c3CCCC4)cc2)C1 ZINC000537583800 885608043 /nfs/dbraw/zinc/60/80/43/885608043.db2.gz OPBKJDOMYLUNBQ-RTBURBONSA-N 2 1 394.563 3.556 20 0 GHADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000108548117 885741032 /nfs/dbraw/zinc/74/10/32/885741032.db2.gz LMOKXLCRNJNWDJ-HXUWFJFHSA-N 2 1 394.563 3.556 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000495433368 885757014 /nfs/dbraw/zinc/75/70/14/885757014.db2.gz NSNPLOOFDKMRDM-LQWHRVPQSA-N 2 1 377.536 3.907 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)C1 ZINC001184034904 912977625 /nfs/dbraw/zinc/97/76/25/912977625.db2.gz JBQOVDVVXKUKAY-UHFFFAOYSA-N 2 1 399.579 3.940 20 0 GHADMP COc1ccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1Cl ZINC000532541000 885948001 /nfs/dbraw/zinc/94/80/01/885948001.db2.gz YDCISLNANKDEEL-UHFFFAOYSA-N 2 1 381.948 3.729 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC000498859988 885960251 /nfs/dbraw/zinc/96/02/51/885960251.db2.gz YLHRMUUOXSGCLZ-UYAOXDASSA-N 2 1 380.960 3.524 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)CC1 ZINC000498859988 885960266 /nfs/dbraw/zinc/96/02/66/885960266.db2.gz YLHRMUUOXSGCLZ-UYAOXDASSA-N 2 1 380.960 3.524 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000495504643 885989155 /nfs/dbraw/zinc/98/91/55/885989155.db2.gz WGZKTELHCGFPSC-RBUKOAKNSA-N 2 1 397.567 3.813 20 0 GHADMP COc1ccc(OCc2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)cs2)cc1 ZINC000055059313 885990067 /nfs/dbraw/zinc/99/00/67/885990067.db2.gz JQSAWWOJJKECJT-UHFFFAOYSA-N 2 1 389.565 3.894 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569020 886130212 /nfs/dbraw/zinc/13/02/12/886130212.db2.gz VOQKFSYIDNHSRH-DYESRHJHSA-N 2 1 397.567 3.622 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569020 886130218 /nfs/dbraw/zinc/13/02/18/886130218.db2.gz VOQKFSYIDNHSRH-DYESRHJHSA-N 2 1 397.567 3.622 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)C[C@H]1C ZINC000532569020 886130227 /nfs/dbraw/zinc/13/02/27/886130227.db2.gz VOQKFSYIDNHSRH-DYESRHJHSA-N 2 1 397.567 3.622 20 0 GHADMP C[NH+](C)C1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)CC1 ZINC001168318797 886148417 /nfs/dbraw/zinc/14/84/17/886148417.db2.gz GTXJPRNZAYZCEI-SOAGJPPSSA-N 3 1 391.625 3.676 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000862252866 886258262 /nfs/dbraw/zinc/25/82/62/886258262.db2.gz IAFYSKKPLDNEST-NXHRZFHOSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000862252866 886258283 /nfs/dbraw/zinc/25/82/83/886258283.db2.gz IAFYSKKPLDNEST-NXHRZFHOSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000862252866 886258303 /nfs/dbraw/zinc/25/83/03/886258303.db2.gz IAFYSKKPLDNEST-NXHRZFHOSA-N 2 1 399.526 3.580 20 0 GHADMP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000862252866 886258325 /nfs/dbraw/zinc/25/83/25/886258325.db2.gz IAFYSKKPLDNEST-NXHRZFHOSA-N 2 1 399.526 3.580 20 0 GHADMP COc1ccc(Cl)cc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000915355278 886404074 /nfs/dbraw/zinc/40/40/74/886404074.db2.gz PVOSYRBOPHKPNV-NRFANRHFSA-N 2 1 387.955 3.817 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1-n1ccnn1 ZINC000556871554 886426502 /nfs/dbraw/zinc/42/65/02/886426502.db2.gz UNMIGSCWWONODV-MSOLQXFVSA-N 2 1 381.549 3.892 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1-n1ccnn1 ZINC000556871554 886426513 /nfs/dbraw/zinc/42/65/13/886426513.db2.gz UNMIGSCWWONODV-MSOLQXFVSA-N 2 1 381.549 3.892 20 0 GHADMP Cc1cc(C(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c(C)n1Cc1ccco1 ZINC000131765690 886538505 /nfs/dbraw/zinc/53/85/05/886538505.db2.gz ZTCDRJJLVFBNKZ-IBGZPJMESA-N 2 1 385.552 3.981 20 0 GHADMP Cc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1-n1cncn1 ZINC000119309901 886577167 /nfs/dbraw/zinc/57/71/67/886577167.db2.gz RTMQDLJTWCZGLX-UHFFFAOYSA-N 2 1 375.520 3.672 20 0 GHADMP Cc1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)ccc1-n1cncn1 ZINC000119309901 886577173 /nfs/dbraw/zinc/57/71/73/886577173.db2.gz RTMQDLJTWCZGLX-UHFFFAOYSA-N 2 1 375.520 3.672 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)C1 ZINC000119536686 886712329 /nfs/dbraw/zinc/71/23/29/886712329.db2.gz AANCDIQOXJZHCM-IRLDBZIGSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000119536686 886712344 /nfs/dbraw/zinc/71/23/44/886712344.db2.gz AANCDIQOXJZHCM-IRLDBZIGSA-N 2 1 392.632 3.793 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000119536686 886712348 /nfs/dbraw/zinc/71/23/48/886712348.db2.gz AANCDIQOXJZHCM-IRLDBZIGSA-N 2 1 392.632 3.793 20 0 GHADMP CCC[N@H+](CC[C@H](O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000808737971 886752979 /nfs/dbraw/zinc/75/29/79/886752979.db2.gz SGIRZRMJSANVNQ-QFIPXVFZSA-N 2 1 382.552 3.898 20 0 GHADMP CCC[N@@H+](CC[C@H](O)c1ccccc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000808737971 886752991 /nfs/dbraw/zinc/75/29/91/886752991.db2.gz SGIRZRMJSANVNQ-QFIPXVFZSA-N 2 1 382.552 3.898 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(Br)ncc1F ZINC000762735901 886772296 /nfs/dbraw/zinc/77/22/96/886772296.db2.gz QFZWQWHISOPAQW-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP COc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000119645474 886819581 /nfs/dbraw/zinc/81/95/81/886819581.db2.gz UTYWCYSVXJTLKS-JOCHJYFZSA-N 2 1 379.548 3.571 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000236904579 886895182 /nfs/dbraw/zinc/89/51/82/886895182.db2.gz HZDZODGPZGIVJB-HIFRSBDPSA-N 2 1 384.364 3.990 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000648807016 886923303 /nfs/dbraw/zinc/92/33/03/886923303.db2.gz JGSIUGXPEIAYKZ-YKSBVNFPSA-N 2 1 394.563 3.911 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000648807016 886923312 /nfs/dbraw/zinc/92/33/12/886923312.db2.gz JGSIUGXPEIAYKZ-YKSBVNFPSA-N 2 1 394.563 3.911 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000762925078 887108866 /nfs/dbraw/zinc/10/88/66/887108866.db2.gz CDCCKZHDQIHIGL-OALUTQOASA-N 2 1 376.545 3.836 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000762925078 887108875 /nfs/dbraw/zinc/10/88/75/887108875.db2.gz CDCCKZHDQIHIGL-OALUTQOASA-N 2 1 376.545 3.836 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000054510235 887991071 /nfs/dbraw/zinc/99/10/71/887991071.db2.gz NTLXKWUMPRGJBG-PXNSSMCTSA-N 2 1 392.975 3.508 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184408862 913206439 /nfs/dbraw/zinc/20/64/39/913206439.db2.gz XTLNKZRBZJYVRU-IHPCNDPISA-N 2 1 377.960 3.541 20 0 GHADMP COc1ccc2c(c1)OCC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000670272796 888369081 /nfs/dbraw/zinc/36/90/81/888369081.db2.gz KUAJGXAHSCKBND-UHFFFAOYSA-N 2 1 395.547 3.620 20 0 GHADMP COc1ccc2c(c1)OCC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C2 ZINC000670272796 888369089 /nfs/dbraw/zinc/36/90/89/888369089.db2.gz KUAJGXAHSCKBND-UHFFFAOYSA-N 2 1 395.547 3.620 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810279482 888377751 /nfs/dbraw/zinc/37/77/51/888377751.db2.gz XZKDEAPSAIWBDL-OAQYLSRUSA-N 2 1 393.572 3.695 20 0 GHADMP C[C@H]([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000865524849 888408577 /nfs/dbraw/zinc/40/85/77/888408577.db2.gz OMTKIFSZKBJQCN-JYJNAYRXSA-N 2 1 389.531 3.778 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000509674399 888761277 /nfs/dbraw/zinc/76/12/77/888761277.db2.gz XCWKXKRZHRJSOQ-HKWRFOASSA-N 2 1 380.532 3.858 20 0 GHADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000123364400 888862855 /nfs/dbraw/zinc/86/28/55/888862855.db2.gz DXIBLAPDEOHCEC-GMAHTHKFSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]([NH2+]Cc1ncc(Br)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866617073 888970285 /nfs/dbraw/zinc/97/02/85/888970285.db2.gz YNUUIZRRYMEJCV-GFCCVEGCSA-N 2 1 384.343 3.697 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)c2cccs2)CC1 ZINC000532870250 889177151 /nfs/dbraw/zinc/17/71/51/889177151.db2.gz LFBVLWPVMACMOL-JOCHJYFZSA-N 2 1 392.572 3.888 20 0 GHADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245683663 889219304 /nfs/dbraw/zinc/21/93/04/889219304.db2.gz GSKGNRXEFGQCOD-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245683663 889219318 /nfs/dbraw/zinc/21/93/18/889219318.db2.gz GSKGNRXEFGQCOD-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245683663 889219327 /nfs/dbraw/zinc/21/93/27/889219327.db2.gz GSKGNRXEFGQCOD-MBJRSGMTSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C(C)C)cc1Cl ZINC000644523962 913337350 /nfs/dbraw/zinc/33/73/50/913337350.db2.gz CZYWOYWTXWIMGV-FGTMMUONSA-N 2 1 380.960 3.728 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000644531066 913342547 /nfs/dbraw/zinc/34/25/47/913342547.db2.gz YQPSHGKFAUDYDW-DHIUTWEWSA-N 2 1 382.548 3.545 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000123836817 889417415 /nfs/dbraw/zinc/41/74/15/889417415.db2.gz YEBOUKHFIUDGHE-SLFFLAALSA-N 2 1 389.584 3.536 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000123836817 889417421 /nfs/dbraw/zinc/41/74/21/889417421.db2.gz YEBOUKHFIUDGHE-SLFFLAALSA-N 2 1 389.584 3.536 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(Br)c1 ZINC000124345170 889598659 /nfs/dbraw/zinc/59/86/59/889598659.db2.gz FTUYMAYCWHRNPL-AWEZNQCLSA-N 2 1 386.353 3.512 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cn3ccc(Br)cc3n2)cc1 ZINC000811507377 889697948 /nfs/dbraw/zinc/69/79/48/889697948.db2.gz ZWBIMOHKDRRBQI-UHFFFAOYSA-N 2 1 387.325 3.790 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cn3ccc(Br)cc3n2)cc1 ZINC000811507377 889697954 /nfs/dbraw/zinc/69/79/54/889697954.db2.gz ZWBIMOHKDRRBQI-UHFFFAOYSA-N 2 1 387.325 3.790 20 0 GHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644580516 913379546 /nfs/dbraw/zinc/37/95/46/913379546.db2.gz NHTCFKMWXCKWPS-SMIHKQSGSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644580516 913379564 /nfs/dbraw/zinc/37/95/64/913379564.db2.gz NHTCFKMWXCKWPS-SMIHKQSGSA-N 2 1 382.548 3.545 20 0 GHADMP Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)c(F)cc1F ZINC000124884337 889802488 /nfs/dbraw/zinc/80/24/88/889802488.db2.gz PUBYRUVLOUJPHA-RTWAWAEBSA-N 2 1 393.522 3.682 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124989219 889838939 /nfs/dbraw/zinc/83/89/39/889838939.db2.gz OJTIXFSCQIRDFZ-QHCPKHFHSA-N 2 1 393.531 3.512 20 0 GHADMP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124989219 889838948 /nfs/dbraw/zinc/83/89/48/889838948.db2.gz OJTIXFSCQIRDFZ-QHCPKHFHSA-N 2 1 393.531 3.512 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]1c1cccc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000064515307 889976307 /nfs/dbraw/zinc/97/63/07/889976307.db2.gz NDASEUFGCWZUFC-QHCPKHFHSA-N 2 1 377.532 3.720 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000533270884 890136699 /nfs/dbraw/zinc/13/66/99/890136699.db2.gz UCMYWSGHNJFPPC-UHFFFAOYSA-N 2 1 396.373 3.830 20 0 GHADMP CCc1nc2cc(CNC[C@H](O)C[N@H+](C)Cc3ccccc3)ccc2n1C1CC1 ZINC000644641497 913421621 /nfs/dbraw/zinc/42/16/21/913421621.db2.gz XOTOSWRPIUNSKB-NRFANRHFSA-N 2 1 392.547 3.516 20 0 GHADMP CCc1nc2cc(CNC[C@H](O)C[N@@H+](C)Cc3ccccc3)ccc2n1C1CC1 ZINC000644641497 913421632 /nfs/dbraw/zinc/42/16/32/913421632.db2.gz XOTOSWRPIUNSKB-NRFANRHFSA-N 2 1 392.547 3.516 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2)CC1 ZINC000455051822 890251377 /nfs/dbraw/zinc/25/13/77/890251377.db2.gz FOEYZVAFXIFUEL-DEOSSOPVSA-N 2 1 398.595 3.911 20 0 GHADMP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001133140645 890287563 /nfs/dbraw/zinc/28/75/63/890287563.db2.gz GNYIWQYYOZUCGV-JOCHJYFZSA-N 2 1 383.580 3.766 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000066568511 890989955 /nfs/dbraw/zinc/98/99/55/890989955.db2.gz XFZAOCLSECQTQD-KRWDZBQOSA-N 2 1 377.960 3.667 20 0 GHADMP Brc1cccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[C@H]2CCOC2)c1 ZINC000872019871 891117922 /nfs/dbraw/zinc/11/79/22/891117922.db2.gz ATMCQANLJDKVFH-QOKNQOGYSA-N 2 1 379.342 3.601 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872032026 891125591 /nfs/dbraw/zinc/12/55/91/891125591.db2.gz PGKLQOVMJUJGTK-BJZITVGISA-N 2 1 392.341 3.958 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C(F)(F)F ZINC000872147654 891182126 /nfs/dbraw/zinc/18/21/26/891182126.db2.gz CUHUUMBBQOICKM-SJLPKXTDSA-N 2 1 391.437 3.751 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@@H](C)C1 ZINC000246499558 891276976 /nfs/dbraw/zinc/27/69/76/891276976.db2.gz SJHVJFYQRAUDQQ-JQVVWYNYSA-N 2 1 386.584 3.584 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)[nH+]1 ZINC000128079718 891404251 /nfs/dbraw/zinc/40/42/51/891404251.db2.gz ZDSJNPCSUXITDD-IBGZPJMESA-N 3 1 382.552 3.650 20 0 GHADMP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC000813324653 891488046 /nfs/dbraw/zinc/48/80/46/891488046.db2.gz QJVAPAJIELGTTA-OTPAQWSUSA-N 2 1 393.575 3.660 20 0 GHADMP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC000813324653 891488052 /nfs/dbraw/zinc/48/80/52/891488052.db2.gz QJVAPAJIELGTTA-OTPAQWSUSA-N 2 1 393.575 3.660 20 0 GHADMP O[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cc(F)ccc1F ZINC000813371381 891556270 /nfs/dbraw/zinc/55/62/70/891556270.db2.gz YBZQPJQPBGNGQD-QFIPXVFZSA-N 2 1 386.486 3.986 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000497557688 891859174 /nfs/dbraw/zinc/85/91/74/891859174.db2.gz DJIIKLGMOMEALN-AUSIDOKSSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000813871948 892054641 /nfs/dbraw/zinc/05/46/41/892054641.db2.gz WRXZFCBDNHMQLT-CYFREDJKSA-N 2 1 379.548 3.951 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000813877762 892056997 /nfs/dbraw/zinc/05/69/97/892056997.db2.gz CYFUDSWHPCMOJG-XWSJACJDSA-N 2 1 377.573 3.771 20 0 GHADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000128545044 892097360 /nfs/dbraw/zinc/09/73/60/892097360.db2.gz BXVOMLXFIBEFMB-AWEZNQCLSA-N 2 1 375.891 3.620 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1ccccc1)CCO3)C2 ZINC001168273590 892279183 /nfs/dbraw/zinc/27/91/83/892279183.db2.gz MZRYGWFOARHIDR-QHCPKHFHSA-N 2 1 392.543 3.529 20 0 GHADMP CC(C)Oc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000125410916 892612330 /nfs/dbraw/zinc/61/23/30/892612330.db2.gz SPIYTZBQBUVBEF-XMMPIXPASA-N 2 1 382.548 3.804 20 0 GHADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cn2cc[nH+]c12 ZINC000455670119 892930359 /nfs/dbraw/zinc/93/03/59/892930359.db2.gz VNZQGNCRCZEPHN-UHFFFAOYSA-N 2 1 387.434 3.517 20 0 GHADMP COc1cc(OC)c(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000508721476 892966656 /nfs/dbraw/zinc/96/66/56/892966656.db2.gz UZMBBUCFELNATR-QUCCMNQESA-N 2 1 398.547 3.755 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000877031475 893447497 /nfs/dbraw/zinc/44/74/97/893447497.db2.gz WFHCDCKNOLPTCM-QWFCFKBJSA-N 2 1 398.938 3.576 20 0 GHADMP O=C1CCCN1CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459532042 893747991 /nfs/dbraw/zinc/74/79/91/893747991.db2.gz HRVNYRSHVIFNRI-QHCPKHFHSA-N 2 1 383.580 3.766 20 0 GHADMP Cc1cc(F)c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000459553959 893791917 /nfs/dbraw/zinc/79/19/17/893791917.db2.gz BKRJPGLOJDPYND-UHFFFAOYSA-N 2 1 395.950 3.602 20 0 GHADMP COCc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459562259 893802820 /nfs/dbraw/zinc/80/28/20/893802820.db2.gz FRPLFQOHRDPQTA-QFIPXVFZSA-N 2 1 383.536 3.944 20 0 GHADMP COCc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459562259 893802845 /nfs/dbraw/zinc/80/28/45/893802845.db2.gz FRPLFQOHRDPQTA-QFIPXVFZSA-N 2 1 383.536 3.944 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221170 893849816 /nfs/dbraw/zinc/84/98/16/893849816.db2.gz KEOQLMFMPZVWHP-OPYAIIAOSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221170 893849831 /nfs/dbraw/zinc/84/98/31/893849831.db2.gz KEOQLMFMPZVWHP-OPYAIIAOSA-N 2 1 387.568 3.742 20 0 GHADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)C1 ZINC000459599190 893881944 /nfs/dbraw/zinc/88/19/44/893881944.db2.gz XRXHAIXUWXBYAN-HSZRJFAPSA-N 2 1 379.552 3.978 20 0 GHADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)C1 ZINC000459599190 893881963 /nfs/dbraw/zinc/88/19/63/893881963.db2.gz XRXHAIXUWXBYAN-HSZRJFAPSA-N 2 1 379.552 3.978 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)C1 ZINC000459599190 893881979 /nfs/dbraw/zinc/88/19/79/893881979.db2.gz XRXHAIXUWXBYAN-HSZRJFAPSA-N 2 1 379.552 3.978 20 0 GHADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)C1 ZINC000459599190 893882002 /nfs/dbraw/zinc/88/20/02/893882002.db2.gz XRXHAIXUWXBYAN-HSZRJFAPSA-N 2 1 379.552 3.978 20 0 GHADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000069833268 893924102 /nfs/dbraw/zinc/92/41/02/893924102.db2.gz SFKTZLOSOWIWER-KDURUIRLSA-N 2 1 398.547 3.993 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536877261 893995966 /nfs/dbraw/zinc/99/59/66/893995966.db2.gz QADGBPMNBPAZNY-LAUBAEHRSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccc(Cl)cc1 ZINC000536877261 893995977 /nfs/dbraw/zinc/99/59/77/893995977.db2.gz QADGBPMNBPAZNY-LAUBAEHRSA-N 2 1 385.939 3.570 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2)C[C@@H](C)O1 ZINC000563634140 893997175 /nfs/dbraw/zinc/99/71/75/893997175.db2.gz CSHSCVYFIHKIIR-RTBURBONSA-N 2 1 395.547 3.652 20 0 GHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093479 894331901 /nfs/dbraw/zinc/33/19/01/894331901.db2.gz ORMUWVLYXXFESO-WSAMWWOZSA-N 3 1 387.612 3.514 20 0 GHADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093479 894331911 /nfs/dbraw/zinc/33/19/11/894331911.db2.gz ORMUWVLYXXFESO-WSAMWWOZSA-N 2 1 387.612 3.514 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001135451354 894606922 /nfs/dbraw/zinc/60/69/22/894606922.db2.gz RVPXIPDCGNDBSZ-QFIPXVFZSA-N 2 1 383.580 3.956 20 0 GHADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001135451354 894606932 /nfs/dbraw/zinc/60/69/32/894606932.db2.gz RVPXIPDCGNDBSZ-QFIPXVFZSA-N 2 1 383.580 3.956 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1Cl ZINC001135461636 894631343 /nfs/dbraw/zinc/63/13/43/894631343.db2.gz MDGSECAQBBOPHY-UXHICEINSA-N 2 1 377.960 3.856 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1Cl ZINC001135461636 894631348 /nfs/dbraw/zinc/63/13/48/894631348.db2.gz MDGSECAQBBOPHY-UXHICEINSA-N 2 1 377.960 3.856 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000564236650 894754869 /nfs/dbraw/zinc/75/48/69/894754869.db2.gz BUGTYGFYBVCOPD-QTJGBDASSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000537324787 894776861 /nfs/dbraw/zinc/77/68/61/894776861.db2.gz GLFMMSOUONDPGN-FPOVZHCZSA-N 2 1 393.579 3.859 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)c2)CC1 ZINC000879086500 894828402 /nfs/dbraw/zinc/82/84/02/894828402.db2.gz XCSKKRWJEIJNOO-IRLDBZIGSA-N 2 1 384.568 3.519 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000564728479 895213385 /nfs/dbraw/zinc/21/33/85/895213385.db2.gz ANSHJQTZFAILBW-SIKLNZKXSA-N 2 1 393.531 3.559 20 0 GHADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000564929370 895310619 /nfs/dbraw/zinc/31/06/19/895310619.db2.gz PLEWBDUFCDSSCS-XGXHKWSGSA-N 2 1 397.485 3.593 20 0 GHADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564929357 895311049 /nfs/dbraw/zinc/31/10/49/895311049.db2.gz PLEWBDUFCDSSCS-BVBHFADKSA-N 2 1 397.485 3.593 20 0 GHADMP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817276267 895464331 /nfs/dbraw/zinc/46/43/31/895464331.db2.gz XBPYCFABAWFFQR-ZEQRLZLVSA-N 2 1 398.522 3.746 20 0 GHADMP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000817276267 895464339 /nfs/dbraw/zinc/46/43/39/895464339.db2.gz XBPYCFABAWFFQR-ZEQRLZLVSA-N 2 1 398.522 3.746 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC000817293787 895466802 /nfs/dbraw/zinc/46/68/02/895466802.db2.gz SFRVZENRUSDCQV-LNLFQRSKSA-N 2 1 378.561 3.843 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC000817293787 895466807 /nfs/dbraw/zinc/46/68/07/895466807.db2.gz SFRVZENRUSDCQV-LNLFQRSKSA-N 2 1 378.561 3.843 20 0 GHADMP Cc1ccnc(-c2noc(CC3CC[NH+](CCC[NH+]4CCCCC4)CC3)n2)c1 ZINC000880281037 895612293 /nfs/dbraw/zinc/61/22/93/895612293.db2.gz LWBBCGVTLDSFJV-UHFFFAOYSA-N 2 1 383.540 3.571 20 0 GHADMP CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000565528112 895703064 /nfs/dbraw/zinc/70/30/64/895703064.db2.gz KPCWPBSHCRAETP-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)cs1)CC2 ZINC001137154771 895724068 /nfs/dbraw/zinc/72/40/68/895724068.db2.gz SNBUBUBRSQBLID-HXUWFJFHSA-N 2 1 385.577 3.955 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000565599253 895751048 /nfs/dbraw/zinc/75/10/48/895751048.db2.gz UKRWLXCYOQOGHW-VAWZGJIGSA-N 2 1 393.531 3.743 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000565599253 895751065 /nfs/dbraw/zinc/75/10/65/895751065.db2.gz UKRWLXCYOQOGHW-VAWZGJIGSA-N 2 1 393.531 3.743 20 0 GHADMP OC1CC[NH+](CCC[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000565727726 895837048 /nfs/dbraw/zinc/83/70/48/895837048.db2.gz TYZZDGSAVBBOMW-UHFFFAOYSA-N 2 1 383.355 3.600 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000566042572 896068461 /nfs/dbraw/zinc/06/84/61/896068461.db2.gz OLXPFDFFKGXEFL-PKTZIBPZSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818985143 896303901 /nfs/dbraw/zinc/30/39/01/896303901.db2.gz PDHDZTJTYONMQZ-KSSFIOAISA-N 2 1 387.337 3.506 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1)CC1CC1 ZINC000566451615 896320499 /nfs/dbraw/zinc/32/04/99/896320499.db2.gz UJVFMNJCCFNDRN-DEOSSOPVSA-N 2 1 397.607 3.869 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)CC1CC1 ZINC000566451615 896320505 /nfs/dbraw/zinc/32/05/05/896320505.db2.gz UJVFMNJCCFNDRN-DEOSSOPVSA-N 2 1 397.607 3.869 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)CC1CC1 ZINC000566451615 896320517 /nfs/dbraw/zinc/32/05/17/896320517.db2.gz UJVFMNJCCFNDRN-DEOSSOPVSA-N 2 1 397.607 3.869 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000566914372 896692179 /nfs/dbraw/zinc/69/21/79/896692179.db2.gz MYAHDBBOCBJMBP-OAQYLSRUSA-N 2 1 395.522 3.651 20 0 GHADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1F ZINC000566914372 896692189 /nfs/dbraw/zinc/69/21/89/896692189.db2.gz MYAHDBBOCBJMBP-OAQYLSRUSA-N 2 1 395.522 3.651 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136219014 896702755 /nfs/dbraw/zinc/70/27/55/896702755.db2.gz JAQKEOIAYGNVFK-GHTZIAJQSA-N 2 1 395.950 3.806 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136219014 896702764 /nfs/dbraw/zinc/70/27/64/896702764.db2.gz JAQKEOIAYGNVFK-GHTZIAJQSA-N 2 1 395.950 3.806 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](c2ccccc2F)[C@H](C)O)CC1 ZINC000566978347 896761755 /nfs/dbraw/zinc/76/17/55/896761755.db2.gz HOARSKDUUPEQLQ-MBSDFSHPSA-N 2 1 385.527 3.569 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000567091469 896866783 /nfs/dbraw/zinc/86/67/83/896866783.db2.gz YRJPZVFYYSDNMH-FQEVSTJZSA-N 2 1 387.959 3.516 20 0 GHADMP Brc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)cc1 ZINC000567504976 897208822 /nfs/dbraw/zinc/20/88/22/897208822.db2.gz IDAVQTJFZHKVHM-JKSUJKDBSA-N 2 1 390.325 3.926 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)cn1 ZINC000883175044 897342938 /nfs/dbraw/zinc/34/29/38/897342938.db2.gz XVRJNJXDMUOCPN-QFIPXVFZSA-N 2 1 380.467 3.972 20 0 GHADMP [NH3+][C@@H](CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CC1CCCCC1 ZINC000567801957 897408394 /nfs/dbraw/zinc/40/83/94/897408394.db2.gz HVRILLDPBAIMDZ-PKTZIBPZSA-N 2 1 385.596 3.745 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000568291253 897718384 /nfs/dbraw/zinc/71/83/84/897718384.db2.gz DGULWVXJRUTURT-HSZRJFAPSA-N 2 1 383.580 3.937 20 0 GHADMP Cc1cccc2ncc(C[NH+]3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n21 ZINC001137194344 897796008 /nfs/dbraw/zinc/79/60/08/897796008.db2.gz RNHLRYFLXWZFHP-UHFFFAOYSA-N 2 1 389.547 3.914 20 0 GHADMP O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000568732523 898071000 /nfs/dbraw/zinc/07/10/00/898071000.db2.gz AYWUUUIDSOIHFB-MRXNPFEDSA-N 2 1 382.483 3.827 20 0 GHADMP O=C(Nc1ccc(F)cc1)Nc1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000568732522 898071344 /nfs/dbraw/zinc/07/13/44/898071344.db2.gz AYWUUUIDSOIHFB-INIZCTEOSA-N 2 1 382.483 3.827 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000569028893 898286048 /nfs/dbraw/zinc/28/60/48/898286048.db2.gz NAKDEUVCXVVLSY-WIYYLYMNSA-N 2 1 389.609 3.782 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000822456139 898384437 /nfs/dbraw/zinc/38/44/37/898384437.db2.gz PDGZDRGOUXDSCE-NMLBUPMWSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000569201585 898421809 /nfs/dbraw/zinc/42/18/09/898421809.db2.gz VOQVVHJVFSVOLT-PKOBYXMFSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000569201585 898421817 /nfs/dbraw/zinc/42/18/17/898421817.db2.gz VOQVVHJVFSVOLT-PKOBYXMFSA-N 2 1 377.492 3.675 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822675127 898555147 /nfs/dbraw/zinc/55/51/47/898555147.db2.gz FIAMHONXTNRTKZ-KRWDZBQOSA-N 2 1 376.416 3.698 20 0 GHADMP C[N@H+](CC[C@H]1CC1(Cl)Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000822675127 898555152 /nfs/dbraw/zinc/55/51/52/898555152.db2.gz FIAMHONXTNRTKZ-KRWDZBQOSA-N 3 1 376.416 3.698 20 0 GHADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000822675127 898555163 /nfs/dbraw/zinc/55/51/63/898555163.db2.gz FIAMHONXTNRTKZ-KRWDZBQOSA-N 3 1 376.416 3.698 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001136635535 898663534 /nfs/dbraw/zinc/66/35/34/898663534.db2.gz QSMPDQIFSUEIHY-QFBILLFUSA-N 2 1 379.976 3.977 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001136635535 898663540 /nfs/dbraw/zinc/66/35/40/898663540.db2.gz QSMPDQIFSUEIHY-QFBILLFUSA-N 2 1 379.976 3.977 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001136635534 898664011 /nfs/dbraw/zinc/66/40/11/898664011.db2.gz QSMPDQIFSUEIHY-LPHOPBHVSA-N 2 1 379.976 3.977 20 0 GHADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001136635534 898664017 /nfs/dbraw/zinc/66/40/17/898664017.db2.gz QSMPDQIFSUEIHY-LPHOPBHVSA-N 2 1 379.976 3.977 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)[C@H](C)C1 ZINC000822871085 898701618 /nfs/dbraw/zinc/70/16/18/898701618.db2.gz ZXHODDVZXKEINE-NIKGAXFTSA-N 2 1 389.367 3.753 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000569664965 898863896 /nfs/dbraw/zinc/86/38/96/898863896.db2.gz WVAHOXNKAVBGSV-QFIPXVFZSA-N 2 1 397.567 3.573 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000569664965 898863909 /nfs/dbraw/zinc/86/39/09/898863909.db2.gz WVAHOXNKAVBGSV-QFIPXVFZSA-N 2 1 397.567 3.573 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3/C=C/c3ccccc3)CC2)CC1 ZINC000569824567 898970793 /nfs/dbraw/zinc/97/07/93/898970793.db2.gz UVKREFRYTLPMAQ-NFPSEPLVSA-N 2 1 395.591 3.887 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000823609570 899131239 /nfs/dbraw/zinc/13/12/39/899131239.db2.gz ZQRMHOWNWQRRGX-HXUWFJFHSA-N 2 1 391.559 3.999 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(SCC[NH+]3CCCCC3)cc1)CC2 ZINC000570403972 899303351 /nfs/dbraw/zinc/30/33/51/899303351.db2.gz YAXMNLBDBAEKOS-GOSISDBHSA-N 2 1 398.576 3.971 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)[C@H]1c1cccs1 ZINC000884227809 899431365 /nfs/dbraw/zinc/43/13/65/899431365.db2.gz YPGPZSWWEDPJAD-MMOPVJDHSA-N 2 1 397.544 3.563 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000570865044 899650265 /nfs/dbraw/zinc/65/02/65/899650265.db2.gz MXBQUZZCWQGZPU-PZJWPPBQSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000570865044 899650274 /nfs/dbraw/zinc/65/02/74/899650274.db2.gz MXBQUZZCWQGZPU-PZJWPPBQSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000570865044 899650279 /nfs/dbraw/zinc/65/02/79/899650279.db2.gz MXBQUZZCWQGZPU-PZJWPPBQSA-N 2 1 376.504 3.932 20 0 GHADMP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000570865044 899650285 /nfs/dbraw/zinc/65/02/85/899650285.db2.gz MXBQUZZCWQGZPU-PZJWPPBQSA-N 2 1 376.504 3.932 20 0 GHADMP COc1ncc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1C ZINC001137003262 900023046 /nfs/dbraw/zinc/02/30/46/900023046.db2.gz KEFKUZMJHCJVNL-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000134904795 900143430 /nfs/dbraw/zinc/14/34/30/900143430.db2.gz NJWWMQSFTIHPQB-QWFCFKBJSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000134904795 900143440 /nfs/dbraw/zinc/14/34/40/900143440.db2.gz NJWWMQSFTIHPQB-QWFCFKBJSA-N 2 1 377.573 3.582 20 0 GHADMP C[C@@H](CC[NH+](C)C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001143820238 900565837 /nfs/dbraw/zinc/56/58/37/900565837.db2.gz CJJBGPLEMIXCRL-INIZCTEOSA-N 2 1 399.501 3.716 20 0 GHADMP C[N@@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C1CCC([NH3+])CC1 ZINC000844221129 900585941 /nfs/dbraw/zinc/58/59/41/900585941.db2.gz WAONNSMDMLBQEQ-UHFFFAOYSA-N 2 1 378.520 3.521 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC000844327425 900699886 /nfs/dbraw/zinc/69/98/86/900699886.db2.gz ROKYBVMMSCHJSE-KRWDZBQOSA-N 2 1 393.597 3.677 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC000844327425 900699890 /nfs/dbraw/zinc/69/98/90/900699890.db2.gz ROKYBVMMSCHJSE-KRWDZBQOSA-N 2 1 393.597 3.677 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CN(C(=O)OC(C)(C)C)C3)C2)s1 ZINC000844327425 900699896 /nfs/dbraw/zinc/69/98/96/900699896.db2.gz ROKYBVMMSCHJSE-KRWDZBQOSA-N 2 1 393.597 3.677 20 0 GHADMP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CCCCC1 ZINC001143965048 900826428 /nfs/dbraw/zinc/82/64/28/900826428.db2.gz NFYWENLOYMVAAL-HXUWFJFHSA-N 2 1 389.559 3.761 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001171128963 900927172 /nfs/dbraw/zinc/92/71/72/900927172.db2.gz ZZHCZHDTRWGMMO-QHCPKHFHSA-N 2 1 379.548 3.923 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)s2)cc1OC ZINC001144067979 901012937 /nfs/dbraw/zinc/01/29/37/901012937.db2.gz QFKXBEJETLXXSE-UHFFFAOYSA-N 2 1 387.549 3.745 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000574846429 901033534 /nfs/dbraw/zinc/03/35/34/901033534.db2.gz PAKKQVQMUHUKLG-LJQANCHMSA-N 2 1 399.502 3.740 20 0 GHADMP Cc1[nH]c(C2CC[NH+](CCOc3ccc4c(C)cc(=O)oc4c3)CC2)[nH+]c1C ZINC000886666244 901215322 /nfs/dbraw/zinc/21/53/22/901215322.db2.gz PQGXQFRVPAKKQV-UHFFFAOYSA-N 2 1 381.476 3.700 20 0 GHADMP Cc1[nH]c(C2CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)[nH+]c1C ZINC000886667973 901215591 /nfs/dbraw/zinc/21/55/91/901215591.db2.gz LHTYXVDZKRZNAK-UHFFFAOYSA-N 2 1 392.503 3.929 20 0 GHADMP c1cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886827702 901289954 /nfs/dbraw/zinc/28/99/54/901289954.db2.gz QCBVXZHUVVSFKW-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886827702 901289971 /nfs/dbraw/zinc/28/99/71/901289971.db2.gz QCBVXZHUVVSFKW-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1C[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886827702 901289984 /nfs/dbraw/zinc/28/99/84/901289984.db2.gz QCBVXZHUVVSFKW-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C(C)C)nc4ccccn43)CC2)CC1 ZINC000887076419 901422709 /nfs/dbraw/zinc/42/27/09/901422709.db2.gz IUQBOVMVUUXWGI-UHFFFAOYSA-N 2 1 397.567 3.593 20 0 GHADMP CC[N@H+](Cc1cn(C)nc1-c1ccncc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818830 901568443 /nfs/dbraw/zinc/56/84/43/901568443.db2.gz PATJNBOJXRKNLZ-NRFANRHFSA-N 2 1 389.547 3.826 20 0 GHADMP CC[NH+](Cc1cn(C)nc1-c1ccncc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818830 901568470 /nfs/dbraw/zinc/56/84/70/901568470.db2.gz PATJNBOJXRKNLZ-NRFANRHFSA-N 2 1 389.547 3.826 20 0 GHADMP CC[NH+](Cc1cn(C)nc1-c1ccncc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818830 901568506 /nfs/dbraw/zinc/56/85/06/901568506.db2.gz PATJNBOJXRKNLZ-NRFANRHFSA-N 2 1 389.547 3.826 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000576050859 901620354 /nfs/dbraw/zinc/62/03/54/901620354.db2.gz UPXBAYPYFVFKCE-BJKOFHAPSA-N 2 1 392.522 3.750 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1CC1CC[NH2+]CC1 ZINC000576163481 901744407 /nfs/dbraw/zinc/74/44/07/901744407.db2.gz QUAOWZARVIOFIZ-HSZRJFAPSA-N 2 1 391.559 3.623 20 0 GHADMP Cc1[nH+]c2ccc(Br)cc2c(N2CCN(c3[nH]cc[nH+]3)CC2)c1C ZINC000576322280 901946311 /nfs/dbraw/zinc/94/63/11/901946311.db2.gz QWNCIRYIVNSQDS-UHFFFAOYSA-N 2 1 386.297 3.664 20 0 GHADMP CC(C)[C@H]1C[NH+](Cc2cncc(C[N@H+]3CCCO[C@@H](C(C)C)C3)c2)CCCO1 ZINC000576345557 901967288 /nfs/dbraw/zinc/96/72/88/901967288.db2.gz RUSAXCFEXRLWCE-DHIUTWEWSA-N 2 1 389.584 3.575 20 0 GHADMP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000097258026 901974919 /nfs/dbraw/zinc/97/49/19/901974919.db2.gz BYDAOOAKQAEHRU-IBGZPJMESA-N 2 1 383.540 3.908 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000097258026 901974935 /nfs/dbraw/zinc/97/49/35/901974935.db2.gz BYDAOOAKQAEHRU-IBGZPJMESA-N 2 1 383.540 3.908 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000576748651 902233705 /nfs/dbraw/zinc/23/37/05/902233705.db2.gz KPLURERRRAOWHL-VDEHWKIFSA-N 2 1 382.548 3.534 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000576768279 902246129 /nfs/dbraw/zinc/24/61/29/902246129.db2.gz PLBZZGVOGJKNBU-MSOLQXFVSA-N 2 1 395.551 3.758 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000576768279 902246143 /nfs/dbraw/zinc/24/61/43/902246143.db2.gz PLBZZGVOGJKNBU-MSOLQXFVSA-N 2 1 395.551 3.758 20 0 GHADMP C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000576841652 902296029 /nfs/dbraw/zinc/29/60/29/902296029.db2.gz XJFSNPHFRDBPNN-XRYRHKQGSA-N 2 1 392.632 3.790 20 0 GHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000576977269 902400180 /nfs/dbraw/zinc/40/01/80/902400180.db2.gz DCBGSEPPFYUXNR-KKSFZXQISA-N 2 1 384.495 3.832 20 0 GHADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000576977269 902400186 /nfs/dbraw/zinc/40/01/86/902400186.db2.gz DCBGSEPPFYUXNR-KKSFZXQISA-N 2 1 384.495 3.832 20 0 GHADMP Cn1nnc2cc(C[N@H+]3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3)ccc21 ZINC001144641548 902572476 /nfs/dbraw/zinc/57/24/76/902572476.db2.gz BWPUITLCJXMDOT-UHFFFAOYSA-N 2 1 389.547 3.847 20 0 GHADMP CN(C(=O)Nc1cccc(C2CC2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000577354294 902709514 /nfs/dbraw/zinc/70/95/14/902709514.db2.gz CFSWMZBILPQGRN-NHCUHLMSSA-N 2 1 399.583 3.760 20 0 GHADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccc1OC(F)F ZINC000290447582 914686340 /nfs/dbraw/zinc/68/63/40/914686340.db2.gz VXIFRNZEIKKLBL-OAHLLOKOSA-N 2 1 379.451 3.864 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3CCC(C)C)CC2)CC1 ZINC000577767137 903168353 /nfs/dbraw/zinc/16/83/53/903168353.db2.gz SYJKZNPFBUNFSI-UGKGYDQZSA-N 2 1 377.617 3.904 20 0 GHADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1csc(-c2ccccc2F)n1 ZINC000577807967 903222033 /nfs/dbraw/zinc/22/20/33/903222033.db2.gz LLKIXNQGLZNRAX-INIZCTEOSA-N 2 1 376.545 3.627 20 0 GHADMP Brc1cccc(-c2c[nH]c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000577849886 903268227 /nfs/dbraw/zinc/26/82/27/903268227.db2.gz LPBYRCJEAWGQID-JKSUJKDBSA-N 2 1 389.341 3.661 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(CC[NH+]3CCC(C)CC3)c1)C2 ZINC000290486654 914702618 /nfs/dbraw/zinc/70/26/18/914702618.db2.gz XEPHTAWFEJVJMP-FQEVSTJZSA-N 2 1 380.536 3.667 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)c(Br)c1 ZINC000132799360 903310262 /nfs/dbraw/zinc/31/02/62/903310262.db2.gz JJURMSAATYFZGG-UONOGXRCSA-N 2 1 385.321 3.740 20 0 GHADMP O=C1NCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1CC1CCCCC1 ZINC001171266440 903450987 /nfs/dbraw/zinc/45/09/87/903450987.db2.gz GQYJJKVIXWCFEE-QHCPKHFHSA-N 2 1 383.580 3.943 20 0 GHADMP O=C1NCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1CC1CCCCC1 ZINC001171266440 903450991 /nfs/dbraw/zinc/45/09/91/903450991.db2.gz GQYJJKVIXWCFEE-QHCPKHFHSA-N 2 1 383.580 3.943 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)c1ccccc1CC[NH3+])C1CCCCC1 ZINC000578022410 903451347 /nfs/dbraw/zinc/45/13/47/903451347.db2.gz WHNZIAXNJJIAAV-UHFFFAOYSA-N 2 1 379.548 3.882 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000578277335 903683030 /nfs/dbraw/zinc/68/30/30/903683030.db2.gz YLXPMSVZMBUDJT-AGWAZZAUSA-N 2 1 397.485 3.641 20 0 GHADMP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000578277335 903683034 /nfs/dbraw/zinc/68/30/34/903683034.db2.gz YLXPMSVZMBUDJT-AGWAZZAUSA-N 2 1 397.485 3.641 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000578410091 903816836 /nfs/dbraw/zinc/81/68/36/903816836.db2.gz NOZPOORCTVZGNR-DKUWSORSSA-N 2 1 385.596 3.661 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000578410091 903816851 /nfs/dbraw/zinc/81/68/51/903816851.db2.gz NOZPOORCTVZGNR-DKUWSORSSA-N 2 1 385.596 3.661 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000646682411 914771799 /nfs/dbraw/zinc/77/17/99/914771799.db2.gz XNYRZYZLWZXOOJ-ROUUACIJSA-N 2 1 396.579 3.644 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000646682411 914771806 /nfs/dbraw/zinc/77/18/06/914771806.db2.gz XNYRZYZLWZXOOJ-ROUUACIJSA-N 2 1 396.579 3.644 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000773078141 904415344 /nfs/dbraw/zinc/41/53/44/904415344.db2.gz VEAUBARULRYESO-HZPDHXFCSA-N 2 1 388.524 3.702 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000773078141 904415350 /nfs/dbraw/zinc/41/53/50/904415350.db2.gz VEAUBARULRYESO-HZPDHXFCSA-N 2 1 388.524 3.702 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000773118171 904447916 /nfs/dbraw/zinc/44/79/16/904447916.db2.gz MVXIAKXSAMFSDN-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000773118171 904447922 /nfs/dbraw/zinc/44/79/22/904447922.db2.gz MVXIAKXSAMFSDN-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP CCOC(=O)N1CCC([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000187683866 904823261 /nfs/dbraw/zinc/82/32/61/904823261.db2.gz KPCQAULPZOXJIZ-IBGZPJMESA-N 2 1 387.568 3.540 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+][C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1(C)C ZINC001171629522 904851544 /nfs/dbraw/zinc/85/15/44/904851544.db2.gz VGUJNELTVJORHL-INIZCTEOSA-N 2 1 377.960 3.682 20 0 GHADMP COc1ccc(CCN2CCC([NH2+]C3CC(C)(C)[NH+](C)C(C)(C)C3)CC2)cc1 ZINC001171625769 904888466 /nfs/dbraw/zinc/88/84/66/904888466.db2.gz NIHHDQOIEDQOAG-UHFFFAOYSA-N 2 1 387.612 3.943 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH2+]C2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001171659597 904902046 /nfs/dbraw/zinc/90/20/46/904902046.db2.gz DXRWFBLCXAAPHI-GOSISDBHSA-N 2 1 375.557 3.634 20 0 GHADMP COc1cccc(C[NH+]2CCC(N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171732782 904959294 /nfs/dbraw/zinc/95/92/94/904959294.db2.gz FHWBCOURDQULMU-YKSBVNFPSA-N 2 1 393.575 3.912 20 0 GHADMP COc1cccc(C[NH+]2CCC(N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171732782 904959312 /nfs/dbraw/zinc/95/93/12/904959312.db2.gz FHWBCOURDQULMU-YKSBVNFPSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@H]1C[C@H](N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171767185 905004680 /nfs/dbraw/zinc/00/46/80/905004680.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767185 905004694 /nfs/dbraw/zinc/00/46/94/905004694.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171767185 905004709 /nfs/dbraw/zinc/00/47/09/905004709.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767185 905004725 /nfs/dbraw/zinc/00/47/25/905004725.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767185 905004735 /nfs/dbraw/zinc/00/47/35/905004735.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767185 905004747 /nfs/dbraw/zinc/00/47/47/905004747.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 2 1 375.560 3.713 20 0 GHADMP C[C@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CN1Cc1ccccc1 ZINC001171767185 905004758 /nfs/dbraw/zinc/00/47/58/905004758.db2.gz LHXHGGXOHQUSHQ-OXCBMLQPSA-N 2 1 375.560 3.713 20 0 GHADMP CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001171734236 905016483 /nfs/dbraw/zinc/01/64/83/905016483.db2.gz DAFDJNKOAFGSTC-OAQYLSRUSA-N 2 1 388.552 3.605 20 0 GHADMP CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001171734236 905016503 /nfs/dbraw/zinc/01/65/03/905016503.db2.gz DAFDJNKOAFGSTC-OAQYLSRUSA-N 2 1 388.552 3.605 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171737054 905021807 /nfs/dbraw/zinc/02/18/07/905021807.db2.gz AMZUVNNDCKOGSS-CDIGIKMISA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171737054 905021825 /nfs/dbraw/zinc/02/18/25/905021825.db2.gz AMZUVNNDCKOGSS-CDIGIKMISA-N 2 1 378.564 3.817 20 0 GHADMP C[C@@H]1C[C@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171737054 905021843 /nfs/dbraw/zinc/02/18/43/905021843.db2.gz AMZUVNNDCKOGSS-CDIGIKMISA-N 2 1 378.564 3.817 20 0 GHADMP CCC1(CC)CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC001171949008 905198967 /nfs/dbraw/zinc/19/89/67/905198967.db2.gz IXSKZJRBWIKPDN-UHFFFAOYSA-N 2 1 385.596 3.932 20 0 GHADMP CCC1(CC)CCC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC001171949008 905198979 /nfs/dbraw/zinc/19/89/79/905198979.db2.gz IXSKZJRBWIKPDN-UHFFFAOYSA-N 2 1 385.596 3.932 20 0 GHADMP CCC1(CC)CCC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)C1 ZINC001171949008 905198987 /nfs/dbraw/zinc/19/89/87/905198987.db2.gz IXSKZJRBWIKPDN-UHFFFAOYSA-N 2 1 385.596 3.932 20 0 GHADMP Brc1ccc(N2CCC([NH+]3CCC([NH+]4CCC4)CC3)CC2)cc1 ZINC001171999381 905209869 /nfs/dbraw/zinc/20/98/69/905209869.db2.gz PKQHFUCLGUWEMF-UHFFFAOYSA-N 2 1 378.358 3.588 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cccn3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001171975087 905221265 /nfs/dbraw/zinc/22/12/65/905221265.db2.gz KUQUEKWJLVWESU-OAQYLSRUSA-N 2 1 375.520 3.800 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccc(-n3cccn3)nc2)CC[N@H+]1Cc1ccccc1 ZINC001171975087 905221276 /nfs/dbraw/zinc/22/12/76/905221276.db2.gz KUQUEKWJLVWESU-OAQYLSRUSA-N 2 1 375.520 3.800 20 0 GHADMP CC1(C)C[C@H]([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC[N@H+]1Cc1ccccc1 ZINC001171976845 905224034 /nfs/dbraw/zinc/22/40/34/905224034.db2.gz UPCSETSCYKPZDG-VWNXMTODSA-N 2 1 393.575 3.925 20 0 GHADMP CC1(C)C[C@@H](N2CCC([NH3+])(c3cccnc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171978629 905225906 /nfs/dbraw/zinc/22/59/06/905225906.db2.gz IBPIQZZTIBXYQG-QFIPXVFZSA-N 2 1 378.564 3.775 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC001171980538 905231893 /nfs/dbraw/zinc/23/18/93/905231893.db2.gz VRXNKSUQHIPJIM-IBGZPJMESA-N 2 1 379.504 3.550 20 0 GHADMP CC1(C)C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC001171980538 905231911 /nfs/dbraw/zinc/23/19/11/905231911.db2.gz VRXNKSUQHIPJIM-IBGZPJMESA-N 2 1 379.504 3.550 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982511 905235179 /nfs/dbraw/zinc/23/51/79/905235179.db2.gz UQEOGPYGIJVJNK-WMTXJRDZSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982511 905235195 /nfs/dbraw/zinc/23/51/95/905235195.db2.gz UQEOGPYGIJVJNK-WMTXJRDZSA-N 2 1 386.580 3.947 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)C2 ZINC001171982511 905235216 /nfs/dbraw/zinc/23/52/16/905235216.db2.gz UQEOGPYGIJVJNK-WMTXJRDZSA-N 2 1 386.580 3.947 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981876 905235865 /nfs/dbraw/zinc/23/58/65/905235865.db2.gz OFMBKECWBVNTMB-UWHLTILDSA-N 2 1 399.579 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981876 905235879 /nfs/dbraw/zinc/23/58/79/905235879.db2.gz OFMBKECWBVNTMB-UWHLTILDSA-N 2 1 399.579 3.885 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@H]21 ZINC001171981876 905235890 /nfs/dbraw/zinc/23/58/90/905235890.db2.gz OFMBKECWBVNTMB-UWHLTILDSA-N 2 1 399.579 3.885 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984433 905242257 /nfs/dbraw/zinc/24/22/57/905242257.db2.gz LEETYNUZFQSHEZ-LJQANCHMSA-N 2 1 376.516 3.797 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984433 905242270 /nfs/dbraw/zinc/24/22/70/905242270.db2.gz LEETYNUZFQSHEZ-LJQANCHMSA-N 2 1 376.516 3.797 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(Oc3ncc(F)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987668 905251492 /nfs/dbraw/zinc/25/14/92/905251492.db2.gz ZNSCMZDZNAPIPA-HXUWFJFHSA-N 2 1 398.526 3.902 20 0 GHADMP O=C1CCCCCN1CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072800 905275888 /nfs/dbraw/zinc/27/58/88/905275888.db2.gz NCXPESJVZCGFMR-NUNAXRQHSA-N 2 1 383.580 3.954 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+]CCOc2ccc4c(c2)OCO4)C3)cc1 ZINC001172074039 905281194 /nfs/dbraw/zinc/28/11/94/905281194.db2.gz SVBOSDGDDTVXLW-WKCHPHFGSA-N 2 1 394.515 3.969 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001172077032 905288925 /nfs/dbraw/zinc/28/89/25/905288925.db2.gz OLTPKMFLXDJLLW-NUNAXRQHSA-N 2 1 395.547 3.782 20 0 GHADMP COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC001172077032 905288941 /nfs/dbraw/zinc/28/89/41/905288941.db2.gz OLTPKMFLXDJLLW-NUNAXRQHSA-N 2 1 395.547 3.782 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088770 905306198 /nfs/dbraw/zinc/30/61/98/905306198.db2.gz OAVYISBTCDAYPX-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088770 905306211 /nfs/dbraw/zinc/30/62/11/905306211.db2.gz OAVYISBTCDAYPX-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088770 905306228 /nfs/dbraw/zinc/30/62/28/905306228.db2.gz OAVYISBTCDAYPX-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088770 905306244 /nfs/dbraw/zinc/30/62/44/905306244.db2.gz OAVYISBTCDAYPX-CLAROIROSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088773 905306718 /nfs/dbraw/zinc/30/67/18/905306718.db2.gz OAVYISBTCDAYPX-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088773 905306743 /nfs/dbraw/zinc/30/67/43/905306743.db2.gz OAVYISBTCDAYPX-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@@H+]2CC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088773 905306773 /nfs/dbraw/zinc/30/67/73/905306773.db2.gz OAVYISBTCDAYPX-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@H]([N@H+]2CC[C@H](Oc4ncccn4)C2)C3)cc1 ZINC001172088773 905306795 /nfs/dbraw/zinc/30/67/95/905306795.db2.gz OAVYISBTCDAYPX-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP FC1(F)CCCN(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172065316 905331487 /nfs/dbraw/zinc/33/14/87/905331487.db2.gz KIOYWSABWNGYDW-WKCHPHFGSA-N 2 1 377.523 3.893 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC[C@H]3NC(=O)OC(C)(C)C)CC1)C2 ZINC001172130050 905344972 /nfs/dbraw/zinc/34/49/72/905344972.db2.gz GEWFYIZYGZVAPW-FCGDIQPGSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001172111248 905358936 /nfs/dbraw/zinc/35/89/36/905358936.db2.gz URJFJARCVJHWCL-LJDSDSDDSA-N 2 1 379.589 3.922 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172117019 905371049 /nfs/dbraw/zinc/37/10/49/905371049.db2.gz FNNQTTAAODNRFE-REPLKXPHSA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172117019 905371060 /nfs/dbraw/zinc/37/10/60/905371060.db2.gz FNNQTTAAODNRFE-REPLKXPHSA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCCC13CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172117019 905371073 /nfs/dbraw/zinc/37/10/73/905371073.db2.gz FNNQTTAAODNRFE-REPLKXPHSA-N 2 1 377.573 3.867 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCc3ncnc(-c4cccc(F)c4)c3CC1)C2 ZINC001172116896 905373225 /nfs/dbraw/zinc/37/32/25/905373225.db2.gz HFRNTZQAPIICID-PMOLBWCYSA-N 2 1 380.511 3.699 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCc3ncnc(-c4cccc(F)c4)c3CC1)C2 ZINC001172116896 905373242 /nfs/dbraw/zinc/37/32/42/905373242.db2.gz HFRNTZQAPIICID-PMOLBWCYSA-N 2 1 380.511 3.699 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCc3ncnc(-c4cccc(F)c4)c3CC1)C2 ZINC001172116896 905373259 /nfs/dbraw/zinc/37/32/59/905373259.db2.gz HFRNTZQAPIICID-PMOLBWCYSA-N 2 1 380.511 3.699 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122285 905384810 /nfs/dbraw/zinc/38/48/10/905384810.db2.gz ZAEIDIHGNBDSMO-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122285 905384824 /nfs/dbraw/zinc/38/48/24/905384824.db2.gz ZAEIDIHGNBDSMO-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@]3(CCCN3C(=O)OC(C)(C)C)C1)C2 ZINC001172122285 905384837 /nfs/dbraw/zinc/38/48/37/905384837.db2.gz ZAEIDIHGNBDSMO-MDPIYQRISA-N 2 1 377.573 3.867 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001172214850 905417326 /nfs/dbraw/zinc/41/73/26/905417326.db2.gz DUANQXVRAGFPDP-UHFFFAOYSA-N 2 1 390.955 3.910 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC(Oc3ccccc3OC(C)C)CC2)CC1 ZINC001172253553 905448852 /nfs/dbraw/zinc/44/88/52/905448852.db2.gz UDMFLILCIYBGOJ-UHFFFAOYSA-N 2 1 390.568 3.818 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@@H](C)CCOC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172443707 905562019 /nfs/dbraw/zinc/56/20/19/905562019.db2.gz HGKTWCCRLMQQIO-YYWHXJBOSA-N 2 1 376.541 3.749 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+]([C@H](C)CCOC(C)C)CC3)C2)c1 ZINC001172451944 905570992 /nfs/dbraw/zinc/57/09/92/905570992.db2.gz NXWPBDLPWSRUPS-HXUWFJFHSA-N 2 1 390.568 3.566 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+]([C@H](C)CCOC(C)C)CC3)C2)c1 ZINC001172451944 905571002 /nfs/dbraw/zinc/57/10/02/905571002.db2.gz NXWPBDLPWSRUPS-HXUWFJFHSA-N 2 1 390.568 3.566 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000801584978 921165582 /nfs/dbraw/zinc/16/55/82/921165582.db2.gz OOZVYUAWDSNULH-JOCHJYFZSA-N 2 1 380.532 3.792 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000801584978 921165590 /nfs/dbraw/zinc/16/55/90/921165590.db2.gz OOZVYUAWDSNULH-JOCHJYFZSA-N 2 1 380.532 3.792 20 0 GHADMP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172667441 905751709 /nfs/dbraw/zinc/75/17/09/905751709.db2.gz QAPHWGTUNRJQJF-OAQYLSRUSA-N 2 1 397.950 3.781 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC3(CCCC3)CC1)CCC2 ZINC001172728536 905777813 /nfs/dbraw/zinc/77/78/13/905777813.db2.gz GNBNOOLTPPNVAT-UHFFFAOYSA-N 2 1 386.584 3.794 20 0 GHADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001172843335 905896735 /nfs/dbraw/zinc/89/67/35/905896735.db2.gz VWDPSIQTXLNYGU-CQSZACIVSA-N 2 1 399.938 3.728 20 0 GHADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172851752 905906227 /nfs/dbraw/zinc/90/62/27/905906227.db2.gz LXHORCSFMOKQKO-CDMIOBSGSA-N 2 1 390.930 3.883 20 0 GHADMP C[C@H](Cc1c(F)cccc1Cl)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001172851752 905906233 /nfs/dbraw/zinc/90/62/33/905906233.db2.gz LXHORCSFMOKQKO-CDMIOBSGSA-N 2 1 390.930 3.883 20 0 GHADMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172954703 906058280 /nfs/dbraw/zinc/05/82/80/906058280.db2.gz NDPJZUWXQLCILN-MISYRCLQSA-N 2 1 390.572 3.799 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCN(Cc3ccncc3)c3ncccc3C2)CC1 ZINC001173109571 906197223 /nfs/dbraw/zinc/19/72/23/906197223.db2.gz CZMLRMBNUDUISC-UHFFFAOYSA-N 2 1 393.579 3.952 20 0 GHADMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173132726 906214250 /nfs/dbraw/zinc/21/42/50/906214250.db2.gz LKPQQJKHWBOKHK-QGZVFWFLSA-N 2 1 386.565 3.736 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+]([C@@H]1CCc3ncsc3C1)CC2 ZINC001173132726 906214267 /nfs/dbraw/zinc/21/42/67/906214267.db2.gz LKPQQJKHWBOKHK-QGZVFWFLSA-N 2 1 386.565 3.736 20 0 GHADMP COc1cccc2c1C[C@@H]([N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)CO2 ZINC001173159040 906245323 /nfs/dbraw/zinc/24/53/23/906245323.db2.gz BICJGRUKBUWAHH-OAQYLSRUSA-N 2 1 392.543 3.987 20 0 GHADMP COc1cccc2c1C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC[C@H]1C)CO2 ZINC001173159891 906247169 /nfs/dbraw/zinc/24/71/69/906247169.db2.gz ICMJFVGSMKHKPZ-GIVPXCGWSA-N 2 1 380.532 3.747 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)[C@H](C)C1 ZINC001173418028 906447260 /nfs/dbraw/zinc/44/72/60/906447260.db2.gz JLBHGPJDRNUZSF-OXQOHEQNSA-N 2 1 377.960 3.653 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173628588 906579364 /nfs/dbraw/zinc/57/93/64/906579364.db2.gz SPNCAJOSWIKTRN-SRCJCRPYSA-N 2 1 396.575 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173628588 906579375 /nfs/dbraw/zinc/57/93/75/906579375.db2.gz SPNCAJOSWIKTRN-SRCJCRPYSA-N 2 1 396.575 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001173628588 906579383 /nfs/dbraw/zinc/57/93/83/906579383.db2.gz SPNCAJOSWIKTRN-SRCJCRPYSA-N 2 1 396.575 3.952 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001173725701 906690437 /nfs/dbraw/zinc/69/04/37/906690437.db2.gz PRNVGADOOIBAMQ-SELNLUPBSA-N 2 1 380.532 3.904 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001173725701 906690447 /nfs/dbraw/zinc/69/04/47/906690447.db2.gz PRNVGADOOIBAMQ-SELNLUPBSA-N 2 1 380.532 3.904 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629561303 906868580 /nfs/dbraw/zinc/86/85/80/906868580.db2.gz IGBCSCWJQGIAEN-IUODEOHRSA-N 2 1 384.364 3.933 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC[C@H]1C(F)(F)F ZINC000629561303 906868597 /nfs/dbraw/zinc/86/85/97/906868597.db2.gz IGBCSCWJQGIAEN-IUODEOHRSA-N 2 1 384.364 3.933 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566155 906872817 /nfs/dbraw/zinc/87/28/17/906872817.db2.gz MKGQRKVCRQUDCT-PWSUYJOCSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629566155 906872834 /nfs/dbraw/zinc/87/28/34/906872834.db2.gz MKGQRKVCRQUDCT-PWSUYJOCSA-N 2 1 398.256 3.781 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1C(F)(F)F ZINC000629569890 906874115 /nfs/dbraw/zinc/87/41/15/906874115.db2.gz YMEGXASRTRRANH-IEBWSBKVSA-N 2 1 391.437 3.898 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1C(F)(F)F ZINC000629569890 906874134 /nfs/dbraw/zinc/87/41/34/906874134.db2.gz YMEGXASRTRRANH-IEBWSBKVSA-N 2 1 391.437 3.898 20 0 GHADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000629602893 906897286 /nfs/dbraw/zinc/89/72/86/906897286.db2.gz XGBJNWCRONKMQM-VXKWHMMOSA-N 2 1 383.536 3.826 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000629602893 906897306 /nfs/dbraw/zinc/89/73/06/906897306.db2.gz XGBJNWCRONKMQM-VXKWHMMOSA-N 2 1 383.536 3.826 20 0 GHADMP [NH3+]C1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)CCOCC1 ZINC000629655242 906931478 /nfs/dbraw/zinc/93/14/78/906931478.db2.gz UQDOMZZWRAQOIR-UHFFFAOYSA-N 2 1 396.922 3.790 20 0 GHADMP CC(C)[N@H+]1CCO[C@@H](Cn2cc(-c3ccc(C[NH+]4CCCCC4)cc3)cn2)C1 ZINC000629697037 906967614 /nfs/dbraw/zinc/96/76/14/906967614.db2.gz RWZSFWPBYTZNBD-HSZRJFAPSA-N 2 1 382.552 3.645 20 0 GHADMP C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NC(=O)C3CC[NH2+]CC3)nc2)cc1 ZINC000629702597 906969346 /nfs/dbraw/zinc/96/93/46/906969346.db2.gz QCOXEHGXRKHGDZ-KRWDZBQOSA-N 2 1 378.520 3.671 20 0 GHADMP C[C@@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CCN1c1cc[nH+]cc1 ZINC001175767593 907733966 /nfs/dbraw/zinc/73/39/66/907733966.db2.gz JFNVZFUXOSWEMD-OAHLLOKOSA-N 2 1 383.883 3.538 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678575 907812574 /nfs/dbraw/zinc/81/25/74/907812574.db2.gz YGYJYDLZJNPFFG-ZIFCJYIRSA-N 2 1 375.532 3.588 20 0 GHADMP C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678575 907812585 /nfs/dbraw/zinc/81/25/85/907812585.db2.gz YGYJYDLZJNPFFG-ZIFCJYIRSA-N 2 1 375.532 3.588 20 0 GHADMP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678863 907812792 /nfs/dbraw/zinc/81/27/92/907812792.db2.gz UZPZYRDLTLWIFA-ZSYWTGECSA-N 2 1 387.568 3.504 20 0 GHADMP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678863 907812799 /nfs/dbraw/zinc/81/27/99/907812799.db2.gz UZPZYRDLTLWIFA-ZSYWTGECSA-N 2 1 387.568 3.504 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2c(C)cccc2C)CC1 ZINC001176556422 908174349 /nfs/dbraw/zinc/17/43/49/908174349.db2.gz XBRLGDGSRZAFGN-UHFFFAOYSA-N 2 1 393.575 3.824 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)cc1 ZINC001177266127 908507351 /nfs/dbraw/zinc/50/73/51/908507351.db2.gz AYPMUTTZPWQHOJ-QMMLZNLJSA-N 2 1 376.516 3.784 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cnn1C(C)(C)C ZINC000191491945 908632253 /nfs/dbraw/zinc/63/22/53/908632253.db2.gz IVKMHQMXJMMJQJ-LAUBAEHRSA-N 2 1 384.568 3.754 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000194810089 908929153 /nfs/dbraw/zinc/92/91/53/908929153.db2.gz STUVSUBUVUSPIE-UHFFFAOYSA-N 2 1 381.524 3.534 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000266166803 909025611 /nfs/dbraw/zinc/02/56/11/909025611.db2.gz PMWAUSVQRBWFPP-UHFFFAOYSA-N 2 1 380.492 3.744 20 0 GHADMP [NH3+]C1(CC(=O)N[C@H]2CCSc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000637884232 909993319 /nfs/dbraw/zinc/99/33/19/909993319.db2.gz VMMCEWAUVGFKRM-FQEVSTJZSA-N 2 1 395.572 3.723 20 0 GHADMP CCOc1cc(C)ccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637928380 910004822 /nfs/dbraw/zinc/00/48/22/910004822.db2.gz VOTIIBCCLRMLJI-UHFFFAOYSA-N 2 1 381.520 3.716 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000268813755 910029313 /nfs/dbraw/zinc/02/93/13/910029313.db2.gz DZLBLHHTZPCICY-FPOVZHCZSA-N 2 1 381.568 3.580 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC000268813755 910029331 /nfs/dbraw/zinc/02/93/31/910029331.db2.gz DZLBLHHTZPCICY-FPOVZHCZSA-N 2 1 381.568 3.580 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000638020452 910032546 /nfs/dbraw/zinc/03/25/46/910032546.db2.gz IALBUSJLPIOVRC-UHFFFAOYSA-N 2 1 375.463 3.587 20 0 GHADMP Cc1cccc2[nH]c(C[NH+]3CCN(c4ccccc4OCC[NH+](C)C)CC3)cc21 ZINC001180233775 910036768 /nfs/dbraw/zinc/03/67/68/910036768.db2.gz IFBRVSUDSKCDEC-UHFFFAOYSA-N 2 1 392.547 3.739 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccccc1OCC(=O)N(C)C ZINC000268909384 910065498 /nfs/dbraw/zinc/06/54/98/910065498.db2.gz NUQCNARUTFMKGC-QFIPXVFZSA-N 2 1 397.563 3.846 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268926061 910071729 /nfs/dbraw/zinc/07/17/29/910071729.db2.gz WFIWIAHCTQMKHY-WMZHIEFXSA-N 2 1 379.548 3.574 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(C(=O)N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268926061 910071745 /nfs/dbraw/zinc/07/17/45/910071745.db2.gz WFIWIAHCTQMKHY-WMZHIEFXSA-N 2 1 379.548 3.574 20 0 GHADMP COc1cc(C)c(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(C)c1C ZINC000638288211 910104457 /nfs/dbraw/zinc/10/44/57/910104457.db2.gz ZYXDPYAHHKXKAM-UHFFFAOYSA-N 2 1 395.547 3.943 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1OCCO ZINC000638396306 910144962 /nfs/dbraw/zinc/14/49/62/910144962.db2.gz JDAHNSZPAFJCPO-IFMALSPDSA-N 2 1 396.531 3.524 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1OCCO ZINC000638396306 910144969 /nfs/dbraw/zinc/14/49/69/910144969.db2.gz JDAHNSZPAFJCPO-IFMALSPDSA-N 2 1 396.531 3.524 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638671252 910208595 /nfs/dbraw/zinc/20/85/95/910208595.db2.gz WJQZZZUETVNPGG-CTNGQTDRSA-N 2 1 381.520 3.666 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638671252 910208610 /nfs/dbraw/zinc/20/86/10/910208610.db2.gz WJQZZZUETVNPGG-CTNGQTDRSA-N 2 1 381.520 3.666 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000638707600 910215173 /nfs/dbraw/zinc/21/51/73/910215173.db2.gz JSCWMLRHWNSWEB-DQEVTTJGSA-N 2 1 380.374 3.657 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000638707600 910215180 /nfs/dbraw/zinc/21/51/80/910215180.db2.gz JSCWMLRHWNSWEB-DQEVTTJGSA-N 2 1 380.374 3.657 20 0 GHADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1c1ccc(Br)cc1 ZINC000639250151 910365268 /nfs/dbraw/zinc/36/52/68/910365268.db2.gz UOEYCIGGNLRVJO-NWJVMNJYSA-N 2 1 392.385 3.799 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC[N@@H+]2C2CC2)cc1 ZINC000639302088 910378400 /nfs/dbraw/zinc/37/84/00/910378400.db2.gz BVMYUFBTGYPXRJ-WIOPSUGQSA-N 3 1 397.607 3.835 20 0 GHADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC[N@H+]2C2CC2)cc1 ZINC000639302088 910378415 /nfs/dbraw/zinc/37/84/15/910378415.db2.gz BVMYUFBTGYPXRJ-WIOPSUGQSA-N 3 1 397.607 3.835 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cs2)c(OC)c1 ZINC000639757319 910649654 /nfs/dbraw/zinc/64/96/54/910649654.db2.gz FYPOKTZJHHZFER-UHFFFAOYSA-N 2 1 387.549 3.745 20 0 GHADMP Cc1[nH+]ccn1CCN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000270814852 910706938 /nfs/dbraw/zinc/70/69/38/910706938.db2.gz AEFCBZIVJAYPET-UHFFFAOYSA-N 2 1 380.458 3.807 20 0 GHADMP Cc1[nH+]ccn1CCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000270814852 910706948 /nfs/dbraw/zinc/70/69/48/910706948.db2.gz AEFCBZIVJAYPET-UHFFFAOYSA-N 2 1 380.458 3.807 20 0 GHADMP CC[NH+](CC)CCC[N@H+](CC)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001181506010 910808371 /nfs/dbraw/zinc/80/83/71/910808371.db2.gz MNPWVVLUGUXDFP-INIZCTEOSA-N 2 1 377.520 3.685 20 0 GHADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC001181506010 910808380 /nfs/dbraw/zinc/80/83/80/910808380.db2.gz MNPWVVLUGUXDFP-INIZCTEOSA-N 2 1 377.520 3.685 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(Br)c1 ZINC000271464978 910914857 /nfs/dbraw/zinc/91/48/57/910914857.db2.gz GNJRTDTXXZNXNR-UYHISHBKSA-N 2 1 385.321 3.617 20 0 GHADMP O=C(NCC12CC[NH+](CC1)CC2)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182244739 911327097 /nfs/dbraw/zinc/32/70/97/911327097.db2.gz PQMLHZIFNBUEBP-FQEVSTJZSA-N 2 1 389.971 3.859 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2cc(I)ccc2Cl)CC1 ZINC001206506412 911607269 /nfs/dbraw/zinc/60/72/69/911607269.db2.gz ACHLMMOQBMPNTD-UHFFFAOYSA-N 2 1 378.685 3.505 20 0 GHADMP CC(C)(C)[C@@]1(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182533284 911857228 /nfs/dbraw/zinc/85/72/28/911857228.db2.gz MTNYXCUIMMXAHK-DNQXCXABSA-N 2 1 388.596 3.692 20 0 GHADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248393796 912043459 /nfs/dbraw/zinc/04/34/59/912043459.db2.gz FCMGJVFOHISQBP-MZURWIMNSA-N 2 1 380.532 3.619 20 0 GHADMP CCC(CC)(CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)[NH2+][C@H](C)c1ccccc1 ZINC000290942408 914879173 /nfs/dbraw/zinc/87/91/73/914879173.db2.gz ZWFYVCJZUABAGF-YLJYHZDGSA-N 2 1 382.552 3.780 20 0 GHADMP CC(C)[NH+]1CC(NC(=O)C[C@H]2C[N@H+](C(c3ccccc3)c3ccccc3)[C@@H]2C)C1 ZINC001186949908 914913787 /nfs/dbraw/zinc/91/37/87/914913787.db2.gz VMMQIEKUDJDJSJ-KNQAVFIVSA-N 2 1 391.559 3.695 20 0 GHADMP CC(C)[NH+]1CC(NC(=O)C[C@H]2C[N@@H+](C(c3ccccc3)c3ccccc3)[C@@H]2C)C1 ZINC001186949908 914913794 /nfs/dbraw/zinc/91/37/94/914913794.db2.gz VMMQIEKUDJDJSJ-KNQAVFIVSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000646946183 914944211 /nfs/dbraw/zinc/94/42/11/914944211.db2.gz HQEATMYMNNPCEJ-JOCHJYFZSA-N 2 1 379.548 3.950 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC001187035600 915008714 /nfs/dbraw/zinc/00/87/14/915008714.db2.gz BYFCCPOAKKIDRW-AEFFLSMTSA-N 2 1 381.511 3.551 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)NCC(C)(C)C[NH+](C)C ZINC001187035600 915008727 /nfs/dbraw/zinc/00/87/27/915008727.db2.gz BYFCCPOAKKIDRW-AEFFLSMTSA-N 2 1 381.511 3.551 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccnc(N4CCCC4)c3)CC23CC3)cc1 ZINC000647170812 915067063 /nfs/dbraw/zinc/06/70/63/915067063.db2.gz PKCHCJITNLKPGI-JOCHJYFZSA-N 2 1 376.548 3.969 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccnc(N4CCCC4)c3)CC23CC3)cc1 ZINC000647170812 915067083 /nfs/dbraw/zinc/06/70/83/915067083.db2.gz PKCHCJITNLKPGI-JOCHJYFZSA-N 2 1 376.548 3.969 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001187293791 915153468 /nfs/dbraw/zinc/15/34/68/915153468.db2.gz SFOUWMNEVPGKOR-DNQXCXABSA-N 2 1 391.559 3.732 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647479923 915290622 /nfs/dbraw/zinc/29/06/22/915290622.db2.gz YBNPCDMKVBTJRY-REWPJTCUSA-N 2 1 393.531 3.912 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647479923 915290632 /nfs/dbraw/zinc/29/06/32/915290632.db2.gz YBNPCDMKVBTJRY-REWPJTCUSA-N 2 1 393.531 3.912 20 0 GHADMP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000647479765 915291210 /nfs/dbraw/zinc/29/12/10/915291210.db2.gz TXIMZTVWNNVLSE-NFBKMPQASA-N 2 1 387.531 3.898 20 0 GHADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000647479765 915291225 /nfs/dbraw/zinc/29/12/25/915291225.db2.gz TXIMZTVWNNVLSE-NFBKMPQASA-N 2 1 387.531 3.898 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc(OC)c1O ZINC000647532587 915316449 /nfs/dbraw/zinc/31/64/49/915316449.db2.gz LOMCCLYUDILJPW-UXHICEINSA-N 2 1 384.520 3.582 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647530722 915316749 /nfs/dbraw/zinc/31/67/49/915316749.db2.gz BTCNKDIPKGSYGL-UHFFFAOYSA-N 2 1 377.330 3.565 20 0 GHADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975816 915457846 /nfs/dbraw/zinc/45/78/46/915457846.db2.gz GKZXLMDZKKHMCB-YESZJQIVSA-N 2 1 393.959 3.696 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000647977211 915459801 /nfs/dbraw/zinc/45/98/01/915459801.db2.gz ZKPULEQIAOVTCP-XEYPJELSSA-N 2 1 383.536 3.710 20 0 GHADMP COc1ccc(Oc2ccc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2)cc1 ZINC000648071977 915507667 /nfs/dbraw/zinc/50/76/67/915507667.db2.gz FHIGWPIRHPKQEG-UHFFFAOYSA-N 2 1 382.504 3.784 20 0 GHADMP COc1ccc(Oc2ccc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cc2)cc1 ZINC000648071977 915507673 /nfs/dbraw/zinc/50/76/73/915507673.db2.gz FHIGWPIRHPKQEG-UHFFFAOYSA-N 2 1 382.504 3.784 20 0 GHADMP Cc1ccc(Nc2nc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cs2)cc1 ZINC000649420385 916149582 /nfs/dbraw/zinc/14/95/82/916149582.db2.gz CDVKAFAKYUSUJL-WOJBJXKFSA-N 2 1 386.565 3.913 20 0 GHADMP CC(C)[C@H]1CN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000650415363 916961286 /nfs/dbraw/zinc/96/12/86/916961286.db2.gz IBUKZZIVUHKVKZ-HXUWFJFHSA-N 2 1 390.597 3.678 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000362032992 917044634 /nfs/dbraw/zinc/04/46/34/917044634.db2.gz RHJJKEMWDVNERV-TZYHBYERSA-N 2 1 377.532 3.985 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c2ccccc21 ZINC000362032992 917044645 /nfs/dbraw/zinc/04/46/45/917044645.db2.gz RHJJKEMWDVNERV-TZYHBYERSA-N 2 1 377.532 3.985 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(OCCC)c1 ZINC000650706912 917243157 /nfs/dbraw/zinc/24/31/57/917243157.db2.gz VMOZKSRWHPOWIB-RCZSKKKRSA-N 2 1 390.568 3.983 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707126 917244374 /nfs/dbraw/zinc/24/43/74/917244374.db2.gz YURGLZRZDIDLMG-LRQRDZAKSA-N 2 1 388.943 3.552 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000650722535 917248387 /nfs/dbraw/zinc/24/83/87/917248387.db2.gz WCGQESCSWQWGCB-AKIFATBCSA-N 2 1 381.520 3.521 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[NH+]3CCC[C@@H]3C2)c1 ZINC000362967952 917568682 /nfs/dbraw/zinc/56/86/82/917568682.db2.gz XHKMSRISXIVVHB-HSZRJFAPSA-N 2 1 377.532 3.629 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000362967952 917568692 /nfs/dbraw/zinc/56/86/92/917568692.db2.gz XHKMSRISXIVVHB-HSZRJFAPSA-N 2 1 377.532 3.629 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000362967952 917568699 /nfs/dbraw/zinc/56/86/99/917568699.db2.gz XHKMSRISXIVVHB-HSZRJFAPSA-N 2 1 377.532 3.629 20 0 GHADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345716 917876994 /nfs/dbraw/zinc/87/69/94/917876994.db2.gz KBYSLPDONKHHAB-IWFBPKFRSA-N 2 1 387.568 3.664 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000296988262 918963687 /nfs/dbraw/zinc/96/36/87/918963687.db2.gz HRBLLSXCHXUNQY-UHFFFAOYSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000381917481 919716014 /nfs/dbraw/zinc/71/60/14/919716014.db2.gz MDEAEIFIZHJRCC-SFHVURJKSA-N 2 1 375.557 3.934 20 0 GHADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000381956743 919716752 /nfs/dbraw/zinc/71/67/52/919716752.db2.gz FOKLCSYNKGSNSX-WIYYLYMNSA-N 2 1 387.568 3.886 20 0 GHADMP Cn1c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nnc1C1CCC1 ZINC000364631650 919766796 /nfs/dbraw/zinc/76/67/96/919766796.db2.gz JEUNNMWNBGGIBY-UHFFFAOYSA-N 2 1 379.552 3.571 20 0 GHADMP Cn1c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nnc1C1CCC1 ZINC000364631650 919766806 /nfs/dbraw/zinc/76/68/06/919766806.db2.gz JEUNNMWNBGGIBY-UHFFFAOYSA-N 2 1 379.552 3.571 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000367280554 922014861 /nfs/dbraw/zinc/01/48/61/922014861.db2.gz LQNBMUADMMHFLY-DEOSSOPVSA-N 2 1 397.607 3.835 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000367289916 922016915 /nfs/dbraw/zinc/01/69/15/922016915.db2.gz DLORKSOGKZACRX-GOSISDBHSA-N 2 1 375.900 3.679 20 0 GHADMP Cn1ccnc1[C@H]1CCN(Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000368137424 922497781 /nfs/dbraw/zinc/49/77/81/922497781.db2.gz ZXRXZYFBBFXZET-AWEZNQCLSA-N 2 1 386.297 3.562 20 0 GHADMP COc1ccc(C)cc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCOCC1 ZINC000903076039 922752222 /nfs/dbraw/zinc/75/22/22/922752222.db2.gz IXXFGAZYPYPLLM-VCSGRIEYSA-N 2 1 384.564 3.799 20 0 GHADMP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccccc1C(F)(F)F ZINC000903124359 922791859 /nfs/dbraw/zinc/79/18/59/922791859.db2.gz GIBAOGUFSUNQJN-NMACRGETSA-N 2 1 382.470 3.604 20 0 GHADMP O[C@H]1C[C@](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)(c2ccccc2)C1 ZINC000903271544 922897873 /nfs/dbraw/zinc/89/78/73/922897873.db2.gz MWIIENCAVOTWFD-BAGLXIRTSA-N 2 1 376.544 3.864 20 0 GHADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2Br)CCC1 ZINC000903814470 923310661 /nfs/dbraw/zinc/31/06/61/923310661.db2.gz LYSLZGDLMRRYOW-KRWDZBQOSA-N 2 1 394.357 3.761 20 0 GHADMP Clc1cccc([C@@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000903920249 923399860 /nfs/dbraw/zinc/39/98/60/923399860.db2.gz HQPCTGPXDOEFIR-FPOVZHCZSA-N 2 1 381.911 3.735 20 0 GHADMP C[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000903921085 923400427 /nfs/dbraw/zinc/40/04/27/923400427.db2.gz MTPZMFRPKDTXBK-SJLPKXTDSA-N 2 1 395.482 3.985 20 0 GHADMP OC[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccc(Br)cc1 ZINC000903940129 923413231 /nfs/dbraw/zinc/41/32/31/923413231.db2.gz XWPXKVKSBAAVEM-IPMKNSEASA-N 2 1 375.310 3.565 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369762524 923605577 /nfs/dbraw/zinc/60/55/77/923605577.db2.gz YRWUJBHKNPOIJA-UHFFFAOYSA-N 2 1 394.563 3.911 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369762524 923605679 /nfs/dbraw/zinc/60/56/79/923605679.db2.gz YRWUJBHKNPOIJA-UHFFFAOYSA-N 2 1 394.563 3.911 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)C3CCCCCCC3)cc2)CC1 ZINC000748805654 923839299 /nfs/dbraw/zinc/83/92/99/923839299.db2.gz OICVNTPIYQDVAG-UHFFFAOYSA-N 2 1 386.584 3.812 20 0 GHADMP Cc1cccc(C)c1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370193770 923945767 /nfs/dbraw/zinc/94/57/67/923945767.db2.gz YINSXMDBAXSKKM-UHFFFAOYSA-N 2 1 386.584 3.963 20 0 GHADMP CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000677229746 924292117 /nfs/dbraw/zinc/29/21/17/924292117.db2.gz FSEMGIADHGZRRR-QFIPXVFZSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1cccc2nc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3ccccc3)CCO4)cn21 ZINC001137299931 924370626 /nfs/dbraw/zinc/37/06/26/924370626.db2.gz WDASXTLONFISEF-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000677476886 924373861 /nfs/dbraw/zinc/37/38/61/924373861.db2.gz JENBKYGWFBVLNF-GOTSBHOMSA-N 2 1 392.547 3.700 20 0 GHADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000677476886 924373869 /nfs/dbraw/zinc/37/38/69/924373869.db2.gz JENBKYGWFBVLNF-GOTSBHOMSA-N 2 1 392.547 3.700 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000371450000 924587808 /nfs/dbraw/zinc/58/78/08/924587808.db2.gz JBEIDKDSHGNNRG-UHFFFAOYSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000371450000 924587818 /nfs/dbraw/zinc/58/78/18/924587818.db2.gz JBEIDKDSHGNNRG-UHFFFAOYSA-N 2 1 376.545 3.695 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000678123791 924619030 /nfs/dbraw/zinc/61/90/30/924619030.db2.gz KXDJJQSAEJZTHZ-UHFFFAOYSA-N 2 1 395.547 3.620 20 0 GHADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000678127604 924622098 /nfs/dbraw/zinc/62/20/98/924622098.db2.gz XGSGRGAQMUOZSK-UHFFFAOYSA-N 2 1 395.938 3.919 20 0 GHADMP c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678343706 924735489 /nfs/dbraw/zinc/73/54/89/924735489.db2.gz XSPYRCSFQGMGBM-KDURUIRLSA-N 2 1 384.483 3.937 20 0 GHADMP c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678343706 924735500 /nfs/dbraw/zinc/73/55/00/924735500.db2.gz XSPYRCSFQGMGBM-KDURUIRLSA-N 2 1 384.483 3.937 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1)CC1CC1 ZINC000678353377 924738523 /nfs/dbraw/zinc/73/85/23/924738523.db2.gz MJDJYNDDILQXIJ-UHFFFAOYSA-N 2 1 383.580 3.913 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000678542051 924817220 /nfs/dbraw/zinc/81/72/20/924817220.db2.gz MNMZAOMQEQGMMA-NQIIRXRSSA-N 2 1 377.536 3.909 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000679042654 925008091 /nfs/dbraw/zinc/00/80/91/925008091.db2.gz CDBLXIFWZGURTM-IEZKXTBUSA-N 2 1 399.623 3.646 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000680001904 925328050 /nfs/dbraw/zinc/32/80/50/925328050.db2.gz RDOPTVRMMUPAJR-JOCHJYFZSA-N 2 1 378.564 3.678 20 0 GHADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000410368921 925582512 /nfs/dbraw/zinc/58/25/12/925582512.db2.gz QHTYOJCSKAQQIX-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000410368921 925582514 /nfs/dbraw/zinc/58/25/14/925582514.db2.gz QHTYOJCSKAQQIX-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@H]1CCC[NH+](CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000410368921 925582520 /nfs/dbraw/zinc/58/25/20/925582520.db2.gz QHTYOJCSKAQQIX-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000410368023 925589350 /nfs/dbraw/zinc/58/93/50/925589350.db2.gz SNGWPEVJESZNOA-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000410368023 925589355 /nfs/dbraw/zinc/58/93/55/925589355.db2.gz SNGWPEVJESZNOA-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000410368023 925589360 /nfs/dbraw/zinc/58/93/60/925589360.db2.gz SNGWPEVJESZNOA-VQTJNVASSA-N 2 1 386.584 3.592 20 0 GHADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446871 925816889 /nfs/dbraw/zinc/81/68/89/925816889.db2.gz NSZYGGSMWSVVGY-QHCPKHFHSA-N 2 1 385.552 3.507 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446871 925816896 /nfs/dbraw/zinc/81/68/96/925816896.db2.gz NSZYGGSMWSVVGY-QHCPKHFHSA-N 2 1 385.552 3.507 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446871 925816905 /nfs/dbraw/zinc/81/69/05/925816905.db2.gz NSZYGGSMWSVVGY-QHCPKHFHSA-N 2 1 385.552 3.507 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC001137446871 925816913 /nfs/dbraw/zinc/81/69/13/925816913.db2.gz NSZYGGSMWSVVGY-QHCPKHFHSA-N 2 1 385.552 3.507 20 0 GHADMP CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000682167596 926030513 /nfs/dbraw/zinc/03/05/13/926030513.db2.gz UFDUDHGHBKHRQZ-HXUWFJFHSA-N 2 1 399.501 3.760 20 0 GHADMP O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411266016 926255161 /nfs/dbraw/zinc/25/51/61/926255161.db2.gz JOBBSAQFVIHREL-QFIPXVFZSA-N 2 1 381.520 3.546 20 0 GHADMP O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411266016 926255164 /nfs/dbraw/zinc/25/51/64/926255164.db2.gz JOBBSAQFVIHREL-QFIPXVFZSA-N 2 1 381.520 3.546 20 0 GHADMP Cc1ccc([C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CCCCC2)cc1 ZINC000682907714 926293169 /nfs/dbraw/zinc/29/31/69/926293169.db2.gz GSSDCYNJOAQOSN-RPWUZVMVSA-N 2 1 385.596 3.613 20 0 GHADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000148151123 926371237 /nfs/dbraw/zinc/37/12/37/926371237.db2.gz INZWYISTCQSVIR-IRLDBZIGSA-N 2 1 378.520 3.896 20 0 GHADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC2 ZINC000411451823 926412788 /nfs/dbraw/zinc/41/27/88/926412788.db2.gz VNKLTEQSRWVXEQ-JOCHJYFZSA-N 2 1 397.588 3.904 20 0 GHADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC2 ZINC000411451823 926412792 /nfs/dbraw/zinc/41/27/92/926412792.db2.gz VNKLTEQSRWVXEQ-JOCHJYFZSA-N 2 1 397.588 3.904 20 0 GHADMP CNC(=O)c1cccc(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000373827105 926467028 /nfs/dbraw/zinc/46/70/28/926467028.db2.gz RGHTUOOIAVSLKP-UHFFFAOYSA-N 2 1 379.548 3.622 20 0 GHADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[NH+](CCc2cccs2)CC1 ZINC000411597878 926548122 /nfs/dbraw/zinc/54/81/22/926548122.db2.gz QOTNXMHQNLIHPE-UHFFFAOYSA-N 2 1 397.588 3.735 20 0 GHADMP C[C@@H](CC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)CC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000411797535 926774546 /nfs/dbraw/zinc/77/45/46/926774546.db2.gz LBFFPAPYBAKHNV-APZNWPTMSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000411797535 926774549 /nfs/dbraw/zinc/77/45/49/926774549.db2.gz LBFFPAPYBAKHNV-APZNWPTMSA-N 2 1 392.628 3.654 20 0 GHADMP C[C@H](CC[NH+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000411797535 926774556 /nfs/dbraw/zinc/77/45/56/926774556.db2.gz LBFFPAPYBAKHNV-APZNWPTMSA-N 2 1 392.628 3.654 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000374868652 927628104 /nfs/dbraw/zinc/62/81/04/927628104.db2.gz MQLFEJIXCXYAJG-UYAOXDASSA-N 2 1 388.515 3.994 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC000374868650 927628463 /nfs/dbraw/zinc/62/84/63/927628463.db2.gz MQLFEJIXCXYAJG-ICSRJNTNSA-N 2 1 388.515 3.994 20 0 GHADMP C[C@@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCCCC1 ZINC000750732849 927819787 /nfs/dbraw/zinc/81/97/87/927819787.db2.gz SZXVGCWXXJGHOU-FQEVSTJZSA-N 2 1 379.548 3.923 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C(C)C)c1 ZINC000751009892 927979611 /nfs/dbraw/zinc/97/96/11/927979611.db2.gz DRGIGAXDCCBCER-HXUWFJFHSA-N 2 1 376.614 3.855 20 0 GHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000467376886 929015842 /nfs/dbraw/zinc/01/58/42/929015842.db2.gz LMMYQPWVEMGWDP-KSFYIVLOSA-N 2 1 384.495 3.832 20 0 GHADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000467376886 929015849 /nfs/dbraw/zinc/01/58/49/929015849.db2.gz LMMYQPWVEMGWDP-KSFYIVLOSA-N 2 1 384.495 3.832 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000467386814 929024289 /nfs/dbraw/zinc/02/42/89/929024289.db2.gz AVXSNKKEHURPJT-HSZRJFAPSA-N 2 1 397.538 3.749 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000544330552 929059452 /nfs/dbraw/zinc/05/94/52/929059452.db2.gz KOCPLNZIOOAYPA-LEWJYISDSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000753545853 929405468 /nfs/dbraw/zinc/40/54/68/929405468.db2.gz WPKDSBKPMWULFH-HXUWFJFHSA-N 2 1 397.523 3.550 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000469791026 930163839 /nfs/dbraw/zinc/16/38/39/930163839.db2.gz OQVSYAAWNDAEFF-HBMCJLEFSA-N 2 1 389.584 3.665 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000469791026 930163842 /nfs/dbraw/zinc/16/38/42/930163842.db2.gz OQVSYAAWNDAEFF-HBMCJLEFSA-N 2 1 389.584 3.665 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000470279276 930504997 /nfs/dbraw/zinc/50/49/97/930504997.db2.gz RTBPXWLWKXKSCG-QFIPXVFZSA-N 2 1 388.600 3.659 20 0 GHADMP C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781379972 930823056 /nfs/dbraw/zinc/82/30/56/930823056.db2.gz ZLIDAOPUZICFJT-QRMBVLBGSA-N 2 1 390.616 3.736 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1F ZINC000781421092 930837487 /nfs/dbraw/zinc/83/74/87/930837487.db2.gz OFFMFEJMTDBVTN-RMVZNSSTSA-N 2 1 386.486 3.889 20 0 GHADMP C[N@@H+](CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCCCC1 ZINC000547430697 931012865 /nfs/dbraw/zinc/01/28/65/931012865.db2.gz UGAXVDGKZFRULA-UHFFFAOYSA-N 2 1 377.598 3.731 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c2cccs2)CC1 ZINC000782755605 931325706 /nfs/dbraw/zinc/32/57/06/931325706.db2.gz UKRVBWCFCOGAGW-GGAORHGYSA-N 2 1 399.604 3.794 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)C[C@@H]3c3ccco3)CC2)CC1 ZINC000557634527 931585691 /nfs/dbraw/zinc/58/56/91/931585691.db2.gz HXTMCPVWLVNNCC-WIYYLYMNSA-N 2 1 387.568 3.776 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@H]3CCCO)CC2)cs1 ZINC000925030867 931618319 /nfs/dbraw/zinc/61/83/19/931618319.db2.gz KRZKCONVBQGDTC-AZUAARDMSA-N 2 1 379.614 3.838 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccnn3CC3CCC3)CC2)oc1C ZINC000925041120 931621722 /nfs/dbraw/zinc/62/17/22/931621722.db2.gz YBSYBLOZXOHDTO-QGZVFWFLSA-N 2 1 385.556 3.851 20 0 GHADMP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000925205430 931700372 /nfs/dbraw/zinc/70/03/72/931700372.db2.gz IQPIUXGBBRVOPA-OPAMFIHVSA-N 2 1 375.532 3.778 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc4c3OCO4)CC2)c1C ZINC000558424997 931997628 /nfs/dbraw/zinc/99/76/28/931997628.db2.gz LYDAIEGFEXCYDL-UHFFFAOYSA-N 2 1 397.519 3.532 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc4c3OCO4)CC2)c1C ZINC000558424997 931997633 /nfs/dbraw/zinc/99/76/33/931997633.db2.gz LYDAIEGFEXCYDL-UHFFFAOYSA-N 2 1 397.519 3.532 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000558567526 932078624 /nfs/dbraw/zinc/07/86/24/932078624.db2.gz VSBUOIIQMMEOOO-WORNYLJVSA-N 2 1 393.522 3.792 20 0 GHADMP CC[C@H](C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559275836 932572674 /nfs/dbraw/zinc/57/26/74/932572674.db2.gz LGAKGOYIBIHHLV-BJKOFHAPSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000559275836 932572677 /nfs/dbraw/zinc/57/26/77/932572677.db2.gz LGAKGOYIBIHHLV-BJKOFHAPSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000559275836 932572682 /nfs/dbraw/zinc/57/26/82/932572682.db2.gz LGAKGOYIBIHHLV-BJKOFHAPSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@H](C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559275837 932573187 /nfs/dbraw/zinc/57/31/87/932573187.db2.gz LGAKGOYIBIHHLV-DNQXCXABSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000559275837 932573196 /nfs/dbraw/zinc/57/31/96/932573196.db2.gz LGAKGOYIBIHHLV-DNQXCXABSA-N 2 1 393.575 3.878 20 0 GHADMP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000559275837 932573205 /nfs/dbraw/zinc/57/32/05/932573205.db2.gz LGAKGOYIBIHHLV-DNQXCXABSA-N 2 1 393.575 3.878 20 0 GHADMP C[C@]1(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000798344910 932606575 /nfs/dbraw/zinc/60/65/75/932606575.db2.gz OFYQJSNGIKQBKS-HSZRJFAPSA-N 2 1 399.502 3.535 20 0 GHADMP C[C@]1(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798344910 932606582 /nfs/dbraw/zinc/60/65/82/932606582.db2.gz OFYQJSNGIKQBKS-HSZRJFAPSA-N 2 1 399.502 3.535 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C2)CC1 ZINC000798956825 932839835 /nfs/dbraw/zinc/83/98/35/932839835.db2.gz BOCLNOKWVSTIHY-UHFFFAOYSA-N 2 1 394.350 3.882 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C2)CC1 ZINC000798956825 932839841 /nfs/dbraw/zinc/83/98/41/932839841.db2.gz BOCLNOKWVSTIHY-UHFFFAOYSA-N 2 1 394.350 3.882 20 0 GHADMP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1ccc2c[nH+]cn2c1 ZINC000560139833 933090002 /nfs/dbraw/zinc/09/00/02/933090002.db2.gz ZAMPKSUDEGQJQX-BJKOFHAPSA-N 2 1 396.494 3.732 20 0 GHADMP COc1ccc(OC)c(C[NH+]2CCN(c3c(C)c[nH+]c4ccccc43)CC2)c1 ZINC001116184421 933390606 /nfs/dbraw/zinc/39/06/06/933390606.db2.gz CMQQVMALSHVFKF-UHFFFAOYSA-N 2 1 377.488 3.883 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000560618658 933394560 /nfs/dbraw/zinc/39/45/60/933394560.db2.gz IXWRJOVZAOMXDC-HSZRJFAPSA-N 2 1 395.547 3.957 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929427560 933416412 /nfs/dbraw/zinc/41/64/12/933416412.db2.gz IWTDZNWWOQEPBL-KOUHRCEDSA-N 2 1 377.523 3.526 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000929427560 933416419 /nfs/dbraw/zinc/41/64/19/933416419.db2.gz IWTDZNWWOQEPBL-KOUHRCEDSA-N 2 1 377.523 3.526 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC001117812289 934038447 /nfs/dbraw/zinc/03/84/47/934038447.db2.gz HFQFIZYLQORYEV-UHFFFAOYSA-N 2 1 386.584 3.557 20 0 GHADMP O=C(OCc1ccc(C[NH+]2CCCCC2)cc1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001117945368 934065368 /nfs/dbraw/zinc/06/53/68/934065368.db2.gz QHRBJCCSQLNODF-UHFFFAOYSA-N 2 1 376.460 3.610 20 0 GHADMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC001118198436 934106179 /nfs/dbraw/zinc/10/61/79/934106179.db2.gz NAUKVBCZUGPAQH-RTBURBONSA-N 2 1 379.548 3.871 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc4c[nH]nc4c3)CC2)c1C ZINC000561981465 934604837 /nfs/dbraw/zinc/60/48/37/934604837.db2.gz AZNVOBGWQZPOES-UHFFFAOYSA-N 2 1 393.535 3.680 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc4c[nH]nc4c3)CC2)c1C ZINC000561981465 934604842 /nfs/dbraw/zinc/60/48/42/934604842.db2.gz AZNVOBGWQZPOES-UHFFFAOYSA-N 2 1 393.535 3.680 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](C[NH+]1CCC2(CCNC2=O)CC1)c1ccccc1 ZINC000931608021 934642143 /nfs/dbraw/zinc/64/21/43/934642143.db2.gz MHULRGDJOWJNAO-HSZRJFAPSA-N 2 1 391.559 3.504 20 0 GHADMP CC(=O)c1ccccc1OCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562060156 934666054 /nfs/dbraw/zinc/66/60/54/934666054.db2.gz PCBNEXIGMYKRJX-VXKWHMMOSA-N 2 1 378.516 3.722 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041469 935945971 /nfs/dbraw/zinc/94/59/71/935945971.db2.gz BRTODPTZJOUEPA-ZTCOLXNVSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041469 935945975 /nfs/dbraw/zinc/94/59/75/935945975.db2.gz BRTODPTZJOUEPA-ZTCOLXNVSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041469 935945978 /nfs/dbraw/zinc/94/59/78/935945978.db2.gz BRTODPTZJOUEPA-ZTCOLXNVSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041469 935945979 /nfs/dbraw/zinc/94/59/79/935945979.db2.gz BRTODPTZJOUEPA-ZTCOLXNVSA-N 2 1 393.531 3.739 20 0 GHADMP CC[NH+]1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)(c2ccccc2)CC1 ZINC001625796508 1014176017 /nfs/dbraw/zinc/17/60/17/1014176017.db2.gz PTTSSHYFWCGJMF-OYRHEFFESA-N 2 1 385.596 3.524 20 0 GHADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662254161 1014363243 /nfs/dbraw/zinc/36/32/43/1014363243.db2.gz MRYGZSAZZOVOOM-IBGZPJMESA-N 2 1 392.547 3.674 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cnc3c(F)cccc3c2)c2cccs2)CC1 ZINC001461002826 1069328687 /nfs/dbraw/zinc/32/86/87/1069328687.db2.gz DUJFQGCQKLNZSP-LJQANCHMSA-N 2 1 384.524 3.514 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnc3c(F)cccc3c2)c2cccs2)CC1 ZINC001461002825 1069329035 /nfs/dbraw/zinc/32/90/35/1069329035.db2.gz DUJFQGCQKLNZSP-IBGZPJMESA-N 2 1 384.524 3.514 20 0 GHADMP Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)ccc1OCC[NH+](C)C ZINC001626140286 1015034379 /nfs/dbraw/zinc/03/43/79/1015034379.db2.gz JBKOBFBMDMSMPZ-QFIPXVFZSA-N 2 1 395.547 3.929 20 0 GHADMP C[NH+](C)Cc1cc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)ccc1F ZINC000545027604 1015381752 /nfs/dbraw/zinc/38/17/52/1015381752.db2.gz XXIGLIWPXGYXOE-GOSISDBHSA-N 2 1 395.482 3.712 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC000468391489 1015658891 /nfs/dbraw/zinc/65/88/91/1015658891.db2.gz FARPPTQQFKLTKB-HXOBKFHXSA-N 2 1 384.568 3.719 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC000468391489 1015658893 /nfs/dbraw/zinc/65/88/93/1015658893.db2.gz FARPPTQQFKLTKB-HXOBKFHXSA-N 2 1 384.568 3.719 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC000468391489 1015658901 /nfs/dbraw/zinc/65/89/01/1015658901.db2.gz FARPPTQQFKLTKB-HXOBKFHXSA-N 2 1 384.568 3.719 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)[C@H](C)C1 ZINC000468391489 1015658908 /nfs/dbraw/zinc/65/89/08/1015658908.db2.gz FARPPTQQFKLTKB-HXOBKFHXSA-N 2 1 384.568 3.719 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000545457618 1015892992 /nfs/dbraw/zinc/89/29/92/1015892992.db2.gz HJGINIJHASWACH-YADHBBJMSA-N 2 1 387.955 3.845 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000469096067 1016467640 /nfs/dbraw/zinc/46/76/40/1016467640.db2.gz XZQUYSZOAHTRSL-QFIPXVFZSA-N 2 1 381.520 3.620 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC001226890948 1032179020 /nfs/dbraw/zinc/17/90/20/1032179020.db2.gz NSDJRFQXTWVNIP-YADHBBJMSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001226890948 1032179031 /nfs/dbraw/zinc/17/90/31/1032179031.db2.gz NSDJRFQXTWVNIP-YADHBBJMSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC001226890948 1032179042 /nfs/dbraw/zinc/17/90/42/1032179042.db2.gz NSDJRFQXTWVNIP-YADHBBJMSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001220929250 1032193814 /nfs/dbraw/zinc/19/38/14/1032193814.db2.gz BWWPFGFSNIYTNR-LPHOPBHVSA-N 2 1 382.980 3.608 20 0 GHADMP CC(C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC001220929250 1032193829 /nfs/dbraw/zinc/19/38/29/1032193829.db2.gz BWWPFGFSNIYTNR-LPHOPBHVSA-N 2 1 382.980 3.608 20 0 GHADMP O=C(NCc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001220962255 1032210578 /nfs/dbraw/zinc/21/05/78/1032210578.db2.gz GADPLYGOXVFFSF-NRFANRHFSA-N 2 1 395.522 3.573 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1Cl ZINC001221073846 1032267978 /nfs/dbraw/zinc/26/79/78/1032267978.db2.gz GKYJVGOESHDMNO-CDHQVMDDSA-N 2 1 392.975 3.505 20 0 GHADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC001227109629 1032274149 /nfs/dbraw/zinc/27/41/49/1032274149.db2.gz VSMNLPFMYIUBFY-XUVXKRRUSA-N 2 1 386.584 3.554 20 0 GHADMP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC001221202113 1032328489 /nfs/dbraw/zinc/32/84/89/1032328489.db2.gz SLPDOWYDGKEXLK-FGZHOGPDSA-N 2 1 399.510 3.630 20 0 GHADMP O=C(N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)[C@H]1CCC[N@H+]1Cc1ccco1 ZINC001221202113 1032328496 /nfs/dbraw/zinc/32/84/96/1032328496.db2.gz SLPDOWYDGKEXLK-FGZHOGPDSA-N 2 1 399.510 3.630 20 0 GHADMP Cc1cccc(NCCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)[nH+]1 ZINC001221297283 1032366527 /nfs/dbraw/zinc/36/65/27/1032366527.db2.gz KGQPVAMCTVWVRQ-OAQYLSRUSA-N 2 1 395.551 3.574 20 0 GHADMP C[C@@H]1C[C@@H](CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C[NH2+]1 ZINC001155102291 1032415861 /nfs/dbraw/zinc/41/58/61/1032415861.db2.gz XXUAUIVFBHIREK-HZPDHXFCSA-N 2 1 399.608 3.966 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001221463375 1032425400 /nfs/dbraw/zinc/42/54/00/1032425400.db2.gz ATPPTGVIQZMCNZ-HSALFYBXSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001221463375 1032425407 /nfs/dbraw/zinc/42/54/07/1032425407.db2.gz ATPPTGVIQZMCNZ-HSALFYBXSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001221463375 1032425412 /nfs/dbraw/zinc/42/54/12/1032425412.db2.gz ATPPTGVIQZMCNZ-HSALFYBXSA-N 2 1 388.600 3.563 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC001221464745 1032426330 /nfs/dbraw/zinc/42/63/30/1032426330.db2.gz LDTKLRPZZBEMHI-SVFBPWRDSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001221464745 1032426338 /nfs/dbraw/zinc/42/63/38/1032426338.db2.gz LDTKLRPZZBEMHI-SVFBPWRDSA-N 2 1 392.632 3.839 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC001221464745 1032426344 /nfs/dbraw/zinc/42/63/44/1032426344.db2.gz LDTKLRPZZBEMHI-SVFBPWRDSA-N 2 1 392.632 3.839 20 0 GHADMP Fc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(Cl)c1 ZINC001155357771 1032516436 /nfs/dbraw/zinc/51/64/36/1032516436.db2.gz JWXNMJLKLBYCKT-KRWDZBQOSA-N 2 1 388.918 3.788 20 0 GHADMP CC(C)(C)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nn1 ZINC001155362496 1032519126 /nfs/dbraw/zinc/51/91/26/1032519126.db2.gz SJYKQVPAVFKWDI-FQEVSTJZSA-N 2 1 393.579 3.688 20 0 GHADMP CC(C)c1nnc2n1C[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC000925786073 1017148212 /nfs/dbraw/zinc/14/82/12/1017148212.db2.gz NOIOZOJEZZECBN-XCSKNGGISA-N 2 1 393.579 3.892 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+](C)CCCCNC(=O)OC(C)(C)C)cc1 ZINC001204271607 1032714350 /nfs/dbraw/zinc/71/43/50/1032714350.db2.gz PBOQPKWCICTGIX-UHFFFAOYSA-N 2 1 393.572 3.754 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000560585118 1017670758 /nfs/dbraw/zinc/67/07/58/1017670758.db2.gz QMNZDAUPZINIJI-YTQUADARSA-N 2 1 394.401 3.965 20 0 GHADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000560585118 1017670763 /nfs/dbraw/zinc/67/07/63/1017670763.db2.gz QMNZDAUPZINIJI-YTQUADARSA-N 2 1 394.401 3.965 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+](C)C ZINC001227976732 1032723452 /nfs/dbraw/zinc/72/34/52/1032723452.db2.gz UWJNJAMNYHNDJY-UZKOGDIHSA-N 2 1 386.584 3.692 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000561143691 1017803453 /nfs/dbraw/zinc/80/34/53/1017803453.db2.gz BCBSBUNCGMNWDI-MRXNPFEDSA-N 2 1 389.490 3.966 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000930346429 1017823514 /nfs/dbraw/zinc/82/35/14/1017823514.db2.gz DYQUPKZFYNASMK-VXNXHJTFSA-N 2 1 396.575 3.751 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000930346429 1017823533 /nfs/dbraw/zinc/82/35/33/1017823533.db2.gz DYQUPKZFYNASMK-VXNXHJTFSA-N 2 1 396.575 3.751 20 0 GHADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000931351370 1017962214 /nfs/dbraw/zinc/96/22/14/1017962214.db2.gz JSVHQUMPIBNRMU-NRFANRHFSA-N 2 1 385.577 3.760 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000566581036 1019238368 /nfs/dbraw/zinc/23/83/68/1019238368.db2.gz HAWWDBVIFIYVHI-TYPHKJRUSA-N 2 1 383.536 3.737 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001204446161 1032887033 /nfs/dbraw/zinc/88/70/33/1032887033.db2.gz GXSFCPHNVGKCKB-UHFFFAOYSA-N 2 1 375.520 3.932 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)CCO5)CC3)C2)c1 ZINC001204490340 1032922355 /nfs/dbraw/zinc/92/23/55/1032922355.db2.gz VTPQUFRKXVSWCV-UHFFFAOYSA-N 2 1 384.545 3.550 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)CCO5)CC3)C2)c1 ZINC001204490340 1032922359 /nfs/dbraw/zinc/92/23/59/1032922359.db2.gz VTPQUFRKXVSWCV-UHFFFAOYSA-N 2 1 384.545 3.550 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc([C@H]4CCC[NH2+]4)c(C)c3)c2)CC1 ZINC000629762744 1020766907 /nfs/dbraw/zinc/76/69/07/1020766907.db2.gz YBCSHBSBJGVACH-XMMPIXPASA-N 2 1 377.532 3.751 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc(C[NH+]4CCCC4)cc3)c2)CC1 ZINC000629761846 1020766920 /nfs/dbraw/zinc/76/69/20/1020766920.db2.gz LURIRMZCRZVWSA-UHFFFAOYSA-N 2 1 377.532 3.614 20 0 GHADMP Brc1cnccc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000631069432 1020856125 /nfs/dbraw/zinc/85/61/25/1020856125.db2.gz RQGKKRXMYHGTMB-UHFFFAOYSA-N 2 1 390.325 3.609 20 0 GHADMP c1cn(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@H]43)cn2)cn1 ZINC000834501692 1021227497 /nfs/dbraw/zinc/22/74/97/1021227497.db2.gz HPXLZQRCSMOFAF-RJGXRXQPSA-N 2 1 387.531 3.800 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3n[nH]cc3c1)CC2 ZINC001140383584 1021536192 /nfs/dbraw/zinc/53/61/92/1021536192.db2.gz OPWIYEAMAUXFOP-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n(-c2ccccc2)n1 ZINC001140526745 1021922003 /nfs/dbraw/zinc/92/20/03/1021922003.db2.gz FEAQKCFXSGQRSI-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001204666780 1033021740 /nfs/dbraw/zinc/02/17/40/1033021740.db2.gz ZKXKAMZJIHMLRK-MDNUFGMLSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001204666780 1033021746 /nfs/dbraw/zinc/02/17/46/1033021746.db2.gz ZKXKAMZJIHMLRK-MDNUFGMLSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001204666780 1033021753 /nfs/dbraw/zinc/02/17/53/1033021753.db2.gz ZKXKAMZJIHMLRK-MDNUFGMLSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001204666780 1033021761 /nfs/dbraw/zinc/02/17/61/1033021761.db2.gz ZKXKAMZJIHMLRK-MDNUFGMLSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001204666779 1033021966 /nfs/dbraw/zinc/02/19/66/1033021966.db2.gz ZKXKAMZJIHMLRK-ACIOBRDBSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001204666779 1033021975 /nfs/dbraw/zinc/02/19/75/1033021975.db2.gz ZKXKAMZJIHMLRK-ACIOBRDBSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001204666779 1033021981 /nfs/dbraw/zinc/02/19/81/1033021981.db2.gz ZKXKAMZJIHMLRK-ACIOBRDBSA-N 2 1 393.531 3.601 20 0 GHADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001204666779 1033021990 /nfs/dbraw/zinc/02/19/90/1033021990.db2.gz ZKXKAMZJIHMLRK-ACIOBRDBSA-N 2 1 393.531 3.601 20 0 GHADMP COc1cccc2c1CC[NH+](C/C=C\C[N@H+]1CCc3c(cccc3OC)C1)C2 ZINC000679874144 1022056778 /nfs/dbraw/zinc/05/67/78/1022056778.db2.gz WTSPQVJDALHCJB-ARJAWSKDSA-N 2 1 378.516 3.676 20 0 GHADMP COc1cccc2c1CC[NH+](C/C=C\C[N@@H+]1CCc3c(cccc3OC)C1)C2 ZINC000679874144 1022056792 /nfs/dbraw/zinc/05/67/92/1022056792.db2.gz WTSPQVJDALHCJB-ARJAWSKDSA-N 2 1 378.516 3.676 20 0 GHADMP C[N@@H+](Cc1ccc(OC(F)F)c(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140629588 1022111585 /nfs/dbraw/zinc/11/15/85/1022111585.db2.gz APJLKKUDKZWBJN-SFHVURJKSA-N 2 1 376.447 3.948 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)F)c(O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001140629588 1022111595 /nfs/dbraw/zinc/11/15/95/1022111595.db2.gz APJLKKUDKZWBJN-SFHVURJKSA-N 2 1 376.447 3.948 20 0 GHADMP C[NH+](Cc1ccc(OC(F)F)c(O)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001140629588 1022111603 /nfs/dbraw/zinc/11/16/03/1022111603.db2.gz APJLKKUDKZWBJN-SFHVURJKSA-N 2 1 376.447 3.948 20 0 GHADMP C[NH+](Cc1ccc(OC(F)F)c(O)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001140629588 1022111608 /nfs/dbraw/zinc/11/16/08/1022111608.db2.gz APJLKKUDKZWBJN-SFHVURJKSA-N 2 1 376.447 3.948 20 0 GHADMP Cn1cnc2ccc(C[NH+]3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc21 ZINC001140737277 1022395605 /nfs/dbraw/zinc/39/56/05/1022395605.db2.gz LCPHZDYYAHZRJQ-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP Cn1cnc2ccc(C[NH+]3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc21 ZINC001140737277 1022395620 /nfs/dbraw/zinc/39/56/20/1022395620.db2.gz LCPHZDYYAHZRJQ-UHFFFAOYSA-N 2 1 396.560 3.502 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)o1 ZINC001140780791 1022507704 /nfs/dbraw/zinc/50/77/04/1022507704.db2.gz BVKNTXTWVRXATE-UHFFFAOYSA-N 2 1 391.899 3.720 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3c(=S)n(-c4ccccc4)nc3C3CC3)C2)CC1 ZINC000755777376 1023373031 /nfs/dbraw/zinc/37/30/31/1023373031.db2.gz FJOXSWCSDWUKOU-IBGZPJMESA-N 2 1 397.592 3.902 20 0 GHADMP Cc1cc(Br)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1Cl ZINC001204917507 1033165617 /nfs/dbraw/zinc/16/56/17/1033165617.db2.gz ZSOPEXCPFSZSAL-UHFFFAOYSA-N 2 1 389.765 3.954 20 0 GHADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3cc(OCc4ccccc4)ccc3Br)C[C@H]21 ZINC001204919157 1033166006 /nfs/dbraw/zinc/16/60/06/1033166006.db2.gz WOXJXFBBXYIDJI-LDLYASANSA-N 2 1 387.321 3.665 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138057932 1023963296 /nfs/dbraw/zinc/96/32/96/1023963296.db2.gz JOUBDCHTTSEFIW-HYBUGGRVSA-N 2 1 380.532 3.726 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138057932 1023963303 /nfs/dbraw/zinc/96/33/03/1023963303.db2.gz JOUBDCHTTSEFIW-HYBUGGRVSA-N 2 1 380.532 3.726 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(O)c4ccccc34)C2)C1 ZINC001138057932 1023963307 /nfs/dbraw/zinc/96/33/07/1023963307.db2.gz JOUBDCHTTSEFIW-HYBUGGRVSA-N 2 1 380.532 3.726 20 0 GHADMP C[NH+](C)CCN1CC[NH+](Cc2ccc(-c3ccccc3C(F)(F)F)o2)CC1 ZINC001204947862 1033180741 /nfs/dbraw/zinc/18/07/41/1033180741.db2.gz RUDKOVFMORGWQF-UHFFFAOYSA-N 2 1 381.442 3.645 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC001138109414 1024127296 /nfs/dbraw/zinc/12/72/96/1024127296.db2.gz LPHWGNZHTZRVTG-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC001138109414 1024127302 /nfs/dbraw/zinc/12/73/02/1024127302.db2.gz LPHWGNZHTZRVTG-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC001138109414 1024127308 /nfs/dbraw/zinc/12/73/08/1024127308.db2.gz LPHWGNZHTZRVTG-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CC[C@@H]21 ZINC001138109414 1024127315 /nfs/dbraw/zinc/12/73/15/1024127315.db2.gz LPHWGNZHTZRVTG-GPXNEJASSA-N 2 1 389.547 3.805 20 0 GHADMP c1cc(N2CCCCC2)oc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138174516 1024301719 /nfs/dbraw/zinc/30/17/19/1024301719.db2.gz GNWPJJKJIWDDDA-RTWAWAEBSA-N 2 1 380.536 3.619 20 0 GHADMP c1cc(N2CCCCC2)oc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138174516 1024301734 /nfs/dbraw/zinc/30/17/34/1024301734.db2.gz GNWPJJKJIWDDDA-RTWAWAEBSA-N 2 1 380.536 3.619 20 0 GHADMP c1cc(N2CCCCC2)oc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138174516 1024301754 /nfs/dbraw/zinc/30/17/54/1024301754.db2.gz GNWPJJKJIWDDDA-RTWAWAEBSA-N 2 1 380.536 3.619 20 0 GHADMP c1cc(N2CCCCC2)oc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138174516 1024301772 /nfs/dbraw/zinc/30/17/72/1024301772.db2.gz GNWPJJKJIWDDDA-RTWAWAEBSA-N 2 1 380.536 3.619 20 0 GHADMP COc1ccsc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001141323056 1024550827 /nfs/dbraw/zinc/55/08/27/1024550827.db2.gz LRHOBBHWQITSES-UGKGYDQZSA-N 2 1 390.593 3.717 20 0 GHADMP COc1ccsc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001141323056 1024550839 /nfs/dbraw/zinc/55/08/39/1024550839.db2.gz LRHOBBHWQITSES-UGKGYDQZSA-N 2 1 390.593 3.717 20 0 GHADMP COc1ccsc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001141323056 1024550847 /nfs/dbraw/zinc/55/08/47/1024550847.db2.gz LRHOBBHWQITSES-UGKGYDQZSA-N 2 1 390.593 3.717 20 0 GHADMP COc1ccsc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001141323056 1024550854 /nfs/dbraw/zinc/55/08/54/1024550854.db2.gz LRHOBBHWQITSES-UGKGYDQZSA-N 2 1 390.593 3.717 20 0 GHADMP COc1cc(C)c(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138440429 1024856047 /nfs/dbraw/zinc/85/60/47/1024856047.db2.gz GWGBGQQCCYQYKG-RBBKRZOGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138440429 1024856068 /nfs/dbraw/zinc/85/60/68/1024856068.db2.gz GWGBGQQCCYQYKG-RBBKRZOGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138440429 1024856088 /nfs/dbraw/zinc/85/60/88/1024856088.db2.gz GWGBGQQCCYQYKG-RBBKRZOGSA-N 2 1 380.532 3.966 20 0 GHADMP COc1cc(C)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC001138440429 1024856115 /nfs/dbraw/zinc/85/61/15/1024856115.db2.gz GWGBGQQCCYQYKG-RBBKRZOGSA-N 2 1 380.532 3.966 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138526952 1024966750 /nfs/dbraw/zinc/96/67/50/1024966750.db2.gz AWUHFCKBLWQGFP-OFNKIYASSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138526952 1024966755 /nfs/dbraw/zinc/96/67/55/1024966755.db2.gz AWUHFCKBLWQGFP-OFNKIYASSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138526952 1024966762 /nfs/dbraw/zinc/96/67/62/1024966762.db2.gz AWUHFCKBLWQGFP-OFNKIYASSA-N 2 1 397.588 3.990 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cnc(-c3ccccc3)s1)C2 ZINC001138526952 1024966766 /nfs/dbraw/zinc/96/67/66/1024966766.db2.gz AWUHFCKBLWQGFP-OFNKIYASSA-N 2 1 397.588 3.990 20 0 GHADMP c1nc(-c2ccccc2)sc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001138528545 1024968317 /nfs/dbraw/zinc/96/83/17/1024968317.db2.gz YPXQOIHGAJQKBU-UHFFFAOYSA-N 2 1 393.560 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)cc1 ZINC001138542610 1024985034 /nfs/dbraw/zinc/98/50/34/1024985034.db2.gz GYKNUJCXMXIMOF-JOCHJYFZSA-N 2 1 381.520 3.731 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1N1CCCCC1)C2 ZINC001138604241 1025091270 /nfs/dbraw/zinc/09/12/70/1025091270.db2.gz HYNJURZNPCTJOH-NOZRDPDXSA-N 2 1 397.607 3.857 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001138604241 1025091276 /nfs/dbraw/zinc/09/12/76/1025091276.db2.gz HYNJURZNPCTJOH-NOZRDPDXSA-N 2 1 397.607 3.857 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001138604241 1025091285 /nfs/dbraw/zinc/09/12/85/1025091285.db2.gz HYNJURZNPCTJOH-NOZRDPDXSA-N 2 1 397.607 3.857 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1 ZINC001138771127 1025340352 /nfs/dbraw/zinc/34/03/52/1025340352.db2.gz DHOXOTMMOXHJLD-UHFFFAOYSA-N 3 1 397.563 3.708 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC001138772567 1025341027 /nfs/dbraw/zinc/34/10/27/1025341027.db2.gz QIKRLDMRXLBGMS-UHFFFAOYSA-N 2 1 387.955 3.598 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000838904365 1025430763 /nfs/dbraw/zinc/43/07/63/1025430763.db2.gz IMSSJNATKWFFON-UHFFFAOYSA-N 2 1 399.579 3.949 20 0 GHADMP FC(F)(F)c1ccc(CC2(Nc3nc(NC4CC4)cc[nH+]3)CC[NH2+]CC2)cc1 ZINC001162049327 1025563846 /nfs/dbraw/zinc/56/38/46/1025563846.db2.gz MKWOXENISBAJED-UHFFFAOYSA-N 2 1 391.441 3.847 20 0 GHADMP C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000839183205 1025695712 /nfs/dbraw/zinc/69/57/12/1025695712.db2.gz UVLVGPVNIJMLGF-MOPGFXCFSA-N 2 1 385.552 3.553 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(Cl)c2F)[C@H](c2ccccc2)C1 ZINC001461035984 1069350084 /nfs/dbraw/zinc/35/00/84/1069350084.db2.gz NZEMNUYLMYAVDM-FQEVSTJZSA-N 2 1 375.919 3.948 20 0 GHADMP CCc1ncc(Cl)nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162927403 1025969935 /nfs/dbraw/zinc/96/99/35/1025969935.db2.gz BKQRSJZJSAOMGM-GOSISDBHSA-N 2 1 399.970 3.606 20 0 GHADMP CCc1cc(Cl)nnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162927816 1025969952 /nfs/dbraw/zinc/96/99/52/1025969952.db2.gz FOUDXHFOEBCFNL-IBGZPJMESA-N 2 1 399.970 3.606 20 0 GHADMP Fc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc2[nH]cnc21 ZINC001162941679 1025978982 /nfs/dbraw/zinc/97/89/82/1025978982.db2.gz ZBYUMNYHVZDVCR-SFHVURJKSA-N 2 1 393.510 3.616 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cc4ccccc4s3)cc2)CC1 ZINC001461052083 1069362738 /nfs/dbraw/zinc/36/27/38/1069362738.db2.gz KUZQOAWFTJYHAI-UHFFFAOYSA-N 2 1 379.529 3.579 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4ccn(C)c4c3)CC[C@@H]21 ZINC001139206263 1026055122 /nfs/dbraw/zinc/05/51/22/1026055122.db2.gz RCFMDHKVXZMFCR-VJBWXMMDSA-N 2 1 391.563 3.748 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccc4ccn(C)c4c3)CC[C@@H]21 ZINC001139206263 1026055140 /nfs/dbraw/zinc/05/51/40/1026055140.db2.gz RCFMDHKVXZMFCR-VJBWXMMDSA-N 2 1 391.563 3.748 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccc4ccn(C)c4c3)CC[C@@H]21 ZINC001139206263 1026055158 /nfs/dbraw/zinc/05/51/58/1026055158.db2.gz RCFMDHKVXZMFCR-VJBWXMMDSA-N 2 1 391.563 3.748 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccc4ccn(C)c4c3)CC[C@@H]21 ZINC001139206263 1026055177 /nfs/dbraw/zinc/05/51/77/1026055177.db2.gz RCFMDHKVXZMFCR-VJBWXMMDSA-N 2 1 391.563 3.748 20 0 GHADMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC001163126586 1026056416 /nfs/dbraw/zinc/05/64/16/1026056416.db2.gz SVPKKAWUVBSEEL-UHFFFAOYSA-N 2 1 389.718 3.868 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCc2cccc(C(=O)C(F)(F)F)c2)[C@H](C)C1 ZINC000839561897 1026060335 /nfs/dbraw/zinc/06/03/35/1026060335.db2.gz REKWARCWWQUUDW-QAPCUYQASA-N 2 1 386.458 3.658 20 0 GHADMP CC1(C)CCC[C@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC001461066722 1069373135 /nfs/dbraw/zinc/37/31/35/1069373135.db2.gz KJYOUGGQYZLBIY-FQEVSTJZSA-N 2 1 387.568 3.653 20 0 GHADMP OC1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)s2)CC1 ZINC001139292923 1026145108 /nfs/dbraw/zinc/14/51/08/1026145108.db2.gz BYJGSPKRCKOXNX-SFHVURJKSA-N 2 1 377.598 3.550 20 0 GHADMP C[NH+]1CCC(Oc2ccnc(NC3CC[NH+](C[C@@H]4CC=CCC4)CC3)c2)CC1 ZINC001163322625 1026145987 /nfs/dbraw/zinc/14/59/87/1026145987.db2.gz YKDRQAMDUPIYRN-LJQANCHMSA-N 2 1 384.568 3.787 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@@H]3CC[N@@H+](C(C)C)C[C@@H]3C)n2)cc1 ZINC001163371441 1026165226 /nfs/dbraw/zinc/16/52/26/1026165226.db2.gz QIVCEYSPUKYKSU-FXAWDEMLSA-N 2 1 383.540 3.652 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(N[C@@H]3CC[N@H+](C(C)C)C[C@@H]3C)n2)cc1 ZINC001163371441 1026165235 /nfs/dbraw/zinc/16/52/35/1026165235.db2.gz QIVCEYSPUKYKSU-FXAWDEMLSA-N 2 1 383.540 3.652 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc4cc(O)ccc4c3)C2)C1 ZINC001139334519 1026194392 /nfs/dbraw/zinc/19/43/92/1026194392.db2.gz AWZNKYJSDZDLPX-ISKFKSNPSA-N 2 1 380.532 3.726 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4cc(O)ccc4c3)C2)C1 ZINC001139334519 1026194400 /nfs/dbraw/zinc/19/44/00/1026194400.db2.gz AWZNKYJSDZDLPX-ISKFKSNPSA-N 2 1 380.532 3.726 20 0 GHADMP O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139514322 1026369824 /nfs/dbraw/zinc/36/98/24/1026369824.db2.gz LRPXCOSBAJFXAD-ZRZAMGCNSA-N 2 1 389.543 3.705 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1O ZINC001139515828 1026372558 /nfs/dbraw/zinc/37/25/58/1026372558.db2.gz ZWYAASIHZUPCEI-OFVILXPXSA-N 2 1 393.575 3.602 20 0 GHADMP C[NH+](C)C1(CNc2ccc(F)c(C(F)(F)C(F)(F)F)c2)CC[NH+](C)CC1 ZINC001164217487 1026455571 /nfs/dbraw/zinc/45/55/71/1026455571.db2.gz VNRYXEJUIMELMZ-UHFFFAOYSA-N 2 1 383.380 3.918 20 0 GHADMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164474518 1026519883 /nfs/dbraw/zinc/51/98/83/1026519883.db2.gz RLSOTTBULHNFRA-CVEARBPZSA-N 2 1 399.608 3.730 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)s1 ZINC001139826739 1026646342 /nfs/dbraw/zinc/64/63/42/1026646342.db2.gz YKXSFJZCXVVKLP-UHFFFAOYSA-N 2 1 392.590 3.823 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)s1 ZINC001139826739 1026646347 /nfs/dbraw/zinc/64/63/47/1026646347.db2.gz YKXSFJZCXVVKLP-UHFFFAOYSA-N 2 1 392.590 3.823 20 0 GHADMP Cn1ncc2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cc21 ZINC001139909008 1026722324 /nfs/dbraw/zinc/72/23/24/1026722324.db2.gz MAVBDQIQHZPJIX-ACIOBRDBSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@H]4C3)cc21 ZINC001139909008 1026722338 /nfs/dbraw/zinc/72/23/38/1026722338.db2.gz MAVBDQIQHZPJIX-ACIOBRDBSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc21 ZINC001139909008 1026722352 /nfs/dbraw/zinc/72/23/52/1026722352.db2.gz MAVBDQIQHZPJIX-ACIOBRDBSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1ncc2ccc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc21 ZINC001139909008 1026722365 /nfs/dbraw/zinc/72/23/65/1026722365.db2.gz MAVBDQIQHZPJIX-ACIOBRDBSA-N 2 1 389.547 3.701 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001140025022 1026812328 /nfs/dbraw/zinc/81/23/28/1026812328.db2.gz LMQXEVKFLIVLOG-CTNGQTDRSA-N 2 1 390.487 3.510 20 0 GHADMP Fc1cccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001140135491 1026909560 /nfs/dbraw/zinc/90/95/60/1026909560.db2.gz IFRCSAKCFZPHKT-UHFFFAOYSA-N 2 1 383.511 3.866 20 0 GHADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC001461171458 1069424358 /nfs/dbraw/zinc/42/43/58/1069424358.db2.gz SGLZZBFAGPNRCE-UHFFFAOYSA-N 2 1 380.458 3.980 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)c1 ZINC001461171458 1069424359 /nfs/dbraw/zinc/42/43/59/1069424359.db2.gz SGLZZBFAGPNRCE-UHFFFAOYSA-N 2 1 380.458 3.980 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5cc(Cl)ccc5[nH]4)C[C@@H]3C2)cn1 ZINC001209718871 1027114580 /nfs/dbraw/zinc/11/45/80/1027114580.db2.gz IGYOHAWQMMWENE-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5cc(Cl)ccc5[nH]4)C[C@@H]3C2)cn1 ZINC001209718871 1027114595 /nfs/dbraw/zinc/11/45/95/1027114595.db2.gz IGYOHAWQMMWENE-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5cc(Cl)ccc5[nH]4)C[C@@H]3C2)cn1 ZINC001209718871 1027114605 /nfs/dbraw/zinc/11/46/05/1027114605.db2.gz IGYOHAWQMMWENE-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5cc(Cl)ccc5[nH]4)C[C@@H]3C2)cn1 ZINC001209718871 1027114616 /nfs/dbraw/zinc/11/46/16/1027114616.db2.gz IGYOHAWQMMWENE-AEFFLSMTSA-N 2 1 383.927 3.509 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+](Cc3c[nH+]ccc3N)C2)c1-c1ccccc1 ZINC001209733291 1027126465 /nfs/dbraw/zinc/12/64/65/1027126465.db2.gz JHXRJZHDKBDRRH-MRXNPFEDSA-N 2 1 393.516 3.566 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@@H+](Cc3c[nH+]ccc3N)C2)c1-c1ccccc1 ZINC001209733291 1027126470 /nfs/dbraw/zinc/12/64/70/1027126470.db2.gz JHXRJZHDKBDRRH-MRXNPFEDSA-N 2 1 393.516 3.566 20 0 GHADMP Fc1cccc(Cn2ccc3c2nc[nH+]c3N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC001166902253 1027142212 /nfs/dbraw/zinc/14/22/12/1027142212.db2.gz DGLMZFFEQCMUGX-HXUWFJFHSA-N 2 1 379.483 3.587 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001203391328 1027305062 /nfs/dbraw/zinc/30/50/62/1027305062.db2.gz MULMWUYHNAXSCL-WBVHZDCISA-N 2 1 379.335 3.681 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4Cl)C[C@@H]3C2)cn1 ZINC001203391328 1027305083 /nfs/dbraw/zinc/30/50/83/1027305083.db2.gz MULMWUYHNAXSCL-WBVHZDCISA-N 2 1 379.335 3.681 20 0 GHADMP FC(F)(F)c1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001203686115 1027531375 /nfs/dbraw/zinc/53/13/75/1027531375.db2.gz GZEUSRHBNQEMCE-UHFFFAOYSA-N 2 1 378.442 3.556 20 0 GHADMP FC(F)(F)c1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001203686115 1027531377 /nfs/dbraw/zinc/53/13/77/1027531377.db2.gz GZEUSRHBNQEMCE-UHFFFAOYSA-N 2 1 378.442 3.556 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)c1C ZINC001203718088 1027552640 /nfs/dbraw/zinc/55/26/40/1027552640.db2.gz ZUWFTXYONPSPEO-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)c1C ZINC001203718088 1027552649 /nfs/dbraw/zinc/55/26/49/1027552649.db2.gz ZUWFTXYONPSPEO-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1C ZINC001203718088 1027552664 /nfs/dbraw/zinc/55/26/64/1027552664.db2.gz ZUWFTXYONPSPEO-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)c1C ZINC001203718088 1027552677 /nfs/dbraw/zinc/55/26/77/1027552677.db2.gz ZUWFTXYONPSPEO-VJBWXMMDSA-N 2 1 396.579 3.882 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(F)cc1 ZINC001141925560 1027675300 /nfs/dbraw/zinc/67/53/00/1027675300.db2.gz WHTPPBVPWWGGDQ-MOPGFXCFSA-N 2 1 377.891 3.501 20 0 GHADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](Cc1cccc(C)c1)CC2 ZINC001203891392 1027685925 /nfs/dbraw/zinc/68/59/25/1027685925.db2.gz XPTOHISLLRBUOQ-HSZRJFAPSA-N 2 1 386.580 3.725 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](Cc2cccc(C)c2)CC1 ZINC001203890409 1027685959 /nfs/dbraw/zinc/68/59/59/1027685959.db2.gz IHNWBZAOGXTAHF-UHFFFAOYSA-N 2 1 391.559 3.745 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1C ZINC001203897706 1027691118 /nfs/dbraw/zinc/69/11/18/1027691118.db2.gz UGUPZYDHBCYBPQ-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001210970657 1027727509 /nfs/dbraw/zinc/72/75/09/1027727509.db2.gz OVKLVCFURCTQJN-PMACEKPBSA-N 2 1 388.600 3.696 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950498 1027744220 /nfs/dbraw/zinc/74/42/20/1027744220.db2.gz AKNBYAGYMNBHBL-NKKJXINNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950498 1027744234 /nfs/dbraw/zinc/74/42/34/1027744234.db2.gz AKNBYAGYMNBHBL-NKKJXINNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950498 1027744248 /nfs/dbraw/zinc/74/42/48/1027744248.db2.gz AKNBYAGYMNBHBL-NKKJXINNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203950498 1027744259 /nfs/dbraw/zinc/74/42/59/1027744259.db2.gz AKNBYAGYMNBHBL-NKKJXINNSA-N 2 1 393.531 3.739 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)cc1 ZINC001203955786 1027753669 /nfs/dbraw/zinc/75/36/69/1027753669.db2.gz LJUHTEAJXYAGMS-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001141984072 1027812982 /nfs/dbraw/zinc/81/29/82/1027812982.db2.gz WFDCZORAXCOMIQ-YADHBBJMSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001141984072 1027813002 /nfs/dbraw/zinc/81/30/02/1027813002.db2.gz WFDCZORAXCOMIQ-YADHBBJMSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001141984072 1027813024 /nfs/dbraw/zinc/81/30/24/1027813024.db2.gz WFDCZORAXCOMIQ-YADHBBJMSA-N 2 1 388.515 3.999 20 0 GHADMP Cc1onc(-c2ccccc2)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001141984072 1027813050 /nfs/dbraw/zinc/81/30/50/1027813050.db2.gz WFDCZORAXCOMIQ-YADHBBJMSA-N 2 1 388.515 3.999 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC001211277439 1027884855 /nfs/dbraw/zinc/88/48/55/1027884855.db2.gz RRPOUPVNANZYDW-URVUXULASA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001211277439 1027884875 /nfs/dbraw/zinc/88/48/75/1027884875.db2.gz RRPOUPVNANZYDW-URVUXULASA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001211277439 1027884893 /nfs/dbraw/zinc/88/48/93/1027884893.db2.gz RRPOUPVNANZYDW-URVUXULASA-N 2 1 388.600 3.705 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC001211305212 1027901559 /nfs/dbraw/zinc/90/15/59/1027901559.db2.gz PPHSZGDJOHRZEB-UHFFFAOYSA-N 2 1 380.621 3.939 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001461377805 1069524997 /nfs/dbraw/zinc/52/49/97/1069524997.db2.gz FWQPRYDSRIBMAR-FQEVSTJZSA-N 2 1 378.438 3.952 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841386150 1028545766 /nfs/dbraw/zinc/54/57/66/1028545766.db2.gz KBHAQNFWWUEGFY-UHFFFAOYSA-N 2 1 383.580 3.596 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000841675568 1028820937 /nfs/dbraw/zinc/82/09/37/1028820937.db2.gz VOSZEVSRJRXEES-LJQANCHMSA-N 2 1 394.563 3.562 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559874 1029062701 /nfs/dbraw/zinc/06/27/01/1029062701.db2.gz MUPCWRGVWUGJSP-FGZHOGPDSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559874 1029062721 /nfs/dbraw/zinc/06/27/21/1029062721.db2.gz MUPCWRGVWUGJSP-FGZHOGPDSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC001142559874 1029062739 /nfs/dbraw/zinc/06/27/39/1029062739.db2.gz MUPCWRGVWUGJSP-FGZHOGPDSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000842672920 1029478228 /nfs/dbraw/zinc/47/82/28/1029478228.db2.gz GUHREQIVKCQYOY-FQEVSTJZSA-N 2 1 378.520 3.990 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001142903160 1029663307 /nfs/dbraw/zinc/66/33/07/1029663307.db2.gz QPUYDHIRJOOXJU-JOCHJYFZSA-N 2 1 396.531 3.872 20 0 GHADMP Clc1ccc2ncc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2n1 ZINC001142995441 1029762510 /nfs/dbraw/zinc/76/25/10/1029762510.db2.gz LYHWWKULQGSKOT-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP Clc1ccc2ncc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2n1 ZINC001142995441 1029762515 /nfs/dbraw/zinc/76/25/15/1029762515.db2.gz LYHWWKULQGSKOT-UHFFFAOYSA-N 2 1 395.938 3.871 20 0 GHADMP COc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001143151529 1029870464 /nfs/dbraw/zinc/87/04/64/1029870464.db2.gz FVLXSYIFHMYRJX-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001143151529 1029870468 /nfs/dbraw/zinc/87/04/68/1029870468.db2.gz FVLXSYIFHMYRJX-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001143151529 1029870476 /nfs/dbraw/zinc/87/04/76/1029870476.db2.gz FVLXSYIFHMYRJX-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP COc1cc(C)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001143151529 1029870489 /nfs/dbraw/zinc/87/04/89/1029870489.db2.gz FVLXSYIFHMYRJX-GPXNEJASSA-N 2 1 394.563 3.575 20 0 GHADMP c1sc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195277 1029900890 /nfs/dbraw/zinc/90/08/90/1029900890.db2.gz XXKDRKAKUINQHY-RBUKOAKNSA-N 2 1 384.545 3.863 20 0 GHADMP c1sc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195277 1029900894 /nfs/dbraw/zinc/90/08/94/1029900894.db2.gz XXKDRKAKUINQHY-RBUKOAKNSA-N 2 1 384.545 3.863 20 0 GHADMP c1sc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195277 1029900897 /nfs/dbraw/zinc/90/08/97/1029900897.db2.gz XXKDRKAKUINQHY-RBUKOAKNSA-N 2 1 384.545 3.863 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)[NH2+][C@H](C)c1ccccc1 ZINC001221976182 1029913851 /nfs/dbraw/zinc/91/38/51/1029913851.db2.gz REZOYIDFCITZGF-HMXCVIKNSA-N 2 1 386.584 3.774 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001222009465 1029928951 /nfs/dbraw/zinc/92/89/51/1029928951.db2.gz ILQIMXALSCXPMB-PKTZIBPZSA-N 2 1 398.595 3.920 20 0 GHADMP Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C)C3CCC([NH3+])CC3)n2)cc1C ZINC000843354582 1029933483 /nfs/dbraw/zinc/93/34/83/1029933483.db2.gz DEAOFIOCZGNKMZ-UHFFFAOYSA-N 2 1 386.565 3.876 20 0 GHADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1Oc1ccccc1 ZINC000843363625 1029942317 /nfs/dbraw/zinc/94/23/17/1029942317.db2.gz DLBUBUCYIJOGGN-UHFFFAOYSA-N 2 1 379.504 3.883 20 0 GHADMP FC(F)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001143247270 1029946288 /nfs/dbraw/zinc/94/62/88/1029946288.db2.gz HHXOKPQKDOUQNU-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001143247270 1029946294 /nfs/dbraw/zinc/94/62/94/1029946294.db2.gz HHXOKPQKDOUQNU-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP FC(F)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cc1 ZINC001143247270 1029946303 /nfs/dbraw/zinc/94/63/03/1029946303.db2.gz HHXOKPQKDOUQNU-NHCUHLMSSA-N 2 1 387.474 3.742 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccccc1 ZINC001222126940 1029971885 /nfs/dbraw/zinc/97/18/85/1029971885.db2.gz HZRRCUWCPOYMTO-YADHBBJMSA-N 2 1 386.584 3.633 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1-n1cnc(C)c1 ZINC001222167366 1029984222 /nfs/dbraw/zinc/98/42/22/1029984222.db2.gz KVXQKUPEWDMRSS-QHCPKHFHSA-N 2 1 382.552 3.935 20 0 GHADMP COc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222574691 1030204362 /nfs/dbraw/zinc/20/43/62/1030204362.db2.gz JKMJFLROPUTPCS-QFIPXVFZSA-N 2 1 380.532 3.999 20 0 GHADMP Nc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1F ZINC001222590347 1030215284 /nfs/dbraw/zinc/21/52/84/1030215284.db2.gz HQTNJVMBIXMJOQ-FQEVSTJZSA-N 2 1 383.511 3.711 20 0 GHADMP Nc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1F ZINC001222590347 1030215298 /nfs/dbraw/zinc/21/52/98/1030215298.db2.gz HQTNJVMBIXMJOQ-FQEVSTJZSA-N 2 1 383.511 3.711 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2cccc3c2OCC3)cc1 ZINC001222591351 1030218100 /nfs/dbraw/zinc/21/81/00/1030218100.db2.gz UTUXNYUUNXJVIT-QHCPKHFHSA-N 2 1 392.543 3.925 20 0 GHADMP Brc1cc2[nH]cc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c2cn1 ZINC001222608561 1030230605 /nfs/dbraw/zinc/23/06/05/1030230605.db2.gz BSXTYHFWHURWCK-KRWDZBQOSA-N 2 1 397.320 3.514 20 0 GHADMP Brc1cnc2c(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)c[nH]c2c1 ZINC001222610494 1030234288 /nfs/dbraw/zinc/23/42/88/1030234288.db2.gz ZMWQRPWQILXJEL-KRWDZBQOSA-N 2 1 397.320 3.514 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC001222620044 1030242626 /nfs/dbraw/zinc/24/26/26/1030242626.db2.gz DQXANGYLBDSGRW-HNAYVOBHSA-N 2 1 377.410 3.831 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC001222620044 1030242641 /nfs/dbraw/zinc/24/26/41/1030242641.db2.gz DQXANGYLBDSGRW-HNAYVOBHSA-N 2 1 377.410 3.831 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001223089974 1030434192 /nfs/dbraw/zinc/43/41/92/1030434192.db2.gz UBUHKDKDFNNSEP-YADHBBJMSA-N 2 1 388.600 3.707 20 0 GHADMP CC[N@H+]1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001223107958 1030447293 /nfs/dbraw/zinc/44/72/93/1030447293.db2.gz QSFQIVLOXGDAAJ-IBGZPJMESA-N 2 1 394.563 3.651 20 0 GHADMP [NH3+][C@@H](Cc1ccnc2ccccc12)c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217753336 1030642287 /nfs/dbraw/zinc/64/22/87/1030642287.db2.gz YUASPDREFYKBIH-FPOVZHCZSA-N 2 1 399.498 3.850 20 0 GHADMP [NH3+][C@@H](Cc1ccnc2ccccc12)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217753336 1030642294 /nfs/dbraw/zinc/64/22/94/1030642294.db2.gz YUASPDREFYKBIH-FPOVZHCZSA-N 2 1 399.498 3.850 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001217846940 1030661836 /nfs/dbraw/zinc/66/18/36/1030661836.db2.gz DKIFZKWOJAKAQS-VXKWHMMOSA-N 2 1 386.580 3.853 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2C[NH2+]CCC[C@H]2F)c1-3 ZINC001217982102 1030703287 /nfs/dbraw/zinc/70/32/87/1030703287.db2.gz RVAHQIUKYVCMOM-GGPKGHCWSA-N 2 1 382.479 3.613 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CCC[C@@H]4C[NH2+]C[C@@H]42)c1-3 ZINC001218145671 1030795026 /nfs/dbraw/zinc/79/50/26/1030795026.db2.gz YTMRBHSSLJASSX-UGGKCQTMSA-N 2 1 390.527 3.911 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001218337267 1030901510 /nfs/dbraw/zinc/90/15/10/1030901510.db2.gz WGPFOHLCCTUEPD-GBXCKJPGSA-N 2 1 393.575 3.899 20 0 GHADMP [NH3+]C1CCN(Cc2ccc(O[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC001218390539 1030916427 /nfs/dbraw/zinc/91/64/27/1030916427.db2.gz LSYLQMRQZHZEAL-HSZRJFAPSA-N 2 1 397.538 3.792 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC001218390539 1030916430 /nfs/dbraw/zinc/91/64/30/1030916430.db2.gz LSYLQMRQZHZEAL-HSZRJFAPSA-N 3 1 397.538 3.792 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccc(O[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2)CC1 ZINC001218390539 1030916434 /nfs/dbraw/zinc/91/64/34/1030916434.db2.gz LSYLQMRQZHZEAL-HSZRJFAPSA-N 3 1 397.538 3.792 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CC[C@@H]4C[NH2+]C[C@H]24)c1-3 ZINC001218469986 1030951183 /nfs/dbraw/zinc/95/11/83/1030951183.db2.gz YVGSNDNHUQHJNU-WQZMEWCLSA-N 2 1 376.500 3.521 20 0 GHADMP [NH3+][C@]1(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)CCc2ccccc21 ZINC001218849569 1031113969 /nfs/dbraw/zinc/11/39/69/1031113969.db2.gz VHFJIFFROMYOLO-RUZDIDTESA-N 2 1 383.495 3.941 20 0 GHADMP [NH3+][C@]1(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CCc2ccccc21 ZINC001218849569 1031113978 /nfs/dbraw/zinc/11/39/78/1031113978.db2.gz VHFJIFFROMYOLO-RUZDIDTESA-N 2 1 383.495 3.941 20 0 GHADMP O=C(Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2)[C@H]1[NH2+]Cc2ccccc21 ZINC001219487013 1031454307 /nfs/dbraw/zinc/45/43/07/1031454307.db2.gz XOVCLZAAGUJVNH-GGAORHGYSA-N 2 1 375.516 3.813 20 0 GHADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2)C1CCC2(CC2)CC1 ZINC001219726850 1031580860 /nfs/dbraw/zinc/58/08/60/1031580860.db2.gz QRFVKLMVGGVITQ-QFIPXVFZSA-N 2 1 395.591 3.575 20 0 GHADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1 ZINC001219940875 1031708045 /nfs/dbraw/zinc/70/80/45/1031708045.db2.gz HHKDXUPRRRDLAB-HYBUGGRVSA-N 2 1 387.527 3.868 20 0 GHADMP CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)(c2ccccc2)CC1 ZINC001153989326 1031859585 /nfs/dbraw/zinc/85/95/85/1031859585.db2.gz PEZXUWVPFAQTRC-NHCUHLMSSA-N 2 1 397.607 3.809 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)CC1 ZINC001220498981 1031966052 /nfs/dbraw/zinc/96/60/52/1031966052.db2.gz NNMPXWCVLFCVBQ-ZCNNSNEGSA-N 2 1 386.584 3.552 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC001203379391 1033396025 /nfs/dbraw/zinc/39/60/25/1033396025.db2.gz QJRGLFNXYUUJJG-HXUWFJFHSA-N 2 1 385.939 3.991 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)s1 ZINC001205559814 1033469252 /nfs/dbraw/zinc/46/92/52/1033469252.db2.gz UXXQZMAQWGVEMF-INIZCTEOSA-N 2 1 390.450 3.820 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2cc(Br)c(Br)o2)CC[C@@H]1C[NH3+] ZINC001205618514 1033495509 /nfs/dbraw/zinc/49/55/09/1033495509.db2.gz WSEXURLLXBXLGY-NXEZZACHSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2cc(Br)c(Br)o2)CC[C@@H]1C[NH3+] ZINC001205618514 1033495520 /nfs/dbraw/zinc/49/55/20/1033495520.db2.gz WSEXURLLXBXLGY-NXEZZACHSA-N 2 1 380.124 3.611 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013144 1033685583 /nfs/dbraw/zinc/68/55/83/1033685583.db2.gz PQVJBMKNWUEVEX-KGLIPLIRSA-N 2 1 377.916 3.805 20 0 GHADMP CC(C)(C)[NH2+]CC(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001157645224 1033703562 /nfs/dbraw/zinc/70/35/62/1033703562.db2.gz JWXOGQISMYHJGB-XUZZJYLKSA-N 2 1 379.548 3.549 20 0 GHADMP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)s1 ZINC001206158525 1033746372 /nfs/dbraw/zinc/74/63/72/1033746372.db2.gz MRJZXKFAEKRBBW-IRLDBZIGSA-N 2 1 389.609 3.720 20 0 GHADMP Cc1nc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)s1 ZINC001206158525 1033746384 /nfs/dbraw/zinc/74/63/84/1033746384.db2.gz MRJZXKFAEKRBBW-IRLDBZIGSA-N 2 1 389.609 3.720 20 0 GHADMP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)s1 ZINC001206158525 1033746401 /nfs/dbraw/zinc/74/64/01/1033746401.db2.gz MRJZXKFAEKRBBW-IRLDBZIGSA-N 2 1 389.609 3.720 20 0 GHADMP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)s1 ZINC001206158525 1033746412 /nfs/dbraw/zinc/74/64/12/1033746412.db2.gz MRJZXKFAEKRBBW-IRLDBZIGSA-N 2 1 389.609 3.720 20 0 GHADMP C[C@H]1[C@H]([NH3+])CCCN1c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001157744913 1033750425 /nfs/dbraw/zinc/75/04/25/1033750425.db2.gz HPWXGCCDENCTMN-WMLDXEAASA-N 2 1 381.549 3.736 20 0 GHADMP [NH3+][C@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@@H]1F ZINC001206172920 1033752501 /nfs/dbraw/zinc/75/25/01/1033752501.db2.gz CPRGFMISHLOAHA-GJZGRUSLSA-N 2 1 384.318 3.834 20 0 GHADMP [NH3+][C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CC[C@@H]1F ZINC001206172920 1033752511 /nfs/dbraw/zinc/75/25/11/1033752511.db2.gz CPRGFMISHLOAHA-GJZGRUSLSA-N 2 1 384.318 3.834 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206212492 1033766163 /nfs/dbraw/zinc/76/61/63/1033766163.db2.gz RUOVOGAZPITASJ-RBUKOAKNSA-N 2 1 376.447 3.771 20 0 GHADMP COc1ccc(-c2ccc(F)cc2OC)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206212492 1033766184 /nfs/dbraw/zinc/76/61/84/1033766184.db2.gz RUOVOGAZPITASJ-RBUKOAKNSA-N 2 1 376.447 3.771 20 0 GHADMP C[NH2+]CCN(c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21)C(C)(C)C ZINC001157834291 1033787469 /nfs/dbraw/zinc/78/74/69/1033787469.db2.gz YEWMETBHBHMVBJ-UHFFFAOYSA-N 2 1 375.586 3.728 20 0 GHADMP COc1ncc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)cn1 ZINC001206400123 1033827968 /nfs/dbraw/zinc/82/79/68/1033827968.db2.gz HNHBDFXEMAKYRJ-UHFFFAOYSA-N 2 1 380.536 3.672 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)ccc1OC(=O)c1cccs1 ZINC001206549529 1033904572 /nfs/dbraw/zinc/90/45/72/1033904572.db2.gz OBPZDFCQQORDIY-NRFANRHFSA-N 2 1 388.533 3.927 20 0 GHADMP C[NH+](C)Cc1ccc(-c2cnc(O[C@@H]3CC[N@@H+](C)C3)c3cccc(O)c23)cc1 ZINC001230176487 1033931936 /nfs/dbraw/zinc/93/19/36/1033931936.db2.gz YQDCGSPUKZYBKI-GOSISDBHSA-N 2 1 377.488 3.752 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cnc3c(Br)cccn23)CC1 ZINC001206755097 1033969187 /nfs/dbraw/zinc/96/91/87/1033969187.db2.gz BFAYWPRUWJQBDA-UHFFFAOYSA-N 2 1 399.336 3.589 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[NH+](CC)CC)cc1 ZINC001230300661 1033984871 /nfs/dbraw/zinc/98/48/71/1033984871.db2.gz YCBAPBVDXNIJHH-ZNLUXHQJSA-N 2 1 386.584 3.556 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ncc3ccccn31)CC2 ZINC001207051076 1034071954 /nfs/dbraw/zinc/07/19/54/1034071954.db2.gz DMQLBQUHBLVNSG-LJQANCHMSA-N 2 1 396.560 3.651 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(Cc1ncc3ccccn31)CC2 ZINC001207051076 1034071974 /nfs/dbraw/zinc/07/19/74/1034071974.db2.gz DMQLBQUHBLVNSG-LJQANCHMSA-N 2 1 396.560 3.651 20 0 GHADMP CC[N@@H+](CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)C1CCCCC1 ZINC001230686844 1034179466 /nfs/dbraw/zinc/17/94/66/1034179466.db2.gz RZQWAMQDBQJTGF-OAQYLSRUSA-N 2 1 392.563 3.772 20 0 GHADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207272157 1034227828 /nfs/dbraw/zinc/22/78/28/1034227828.db2.gz XERMQVPWIUTHNY-XOYNAWAESA-N 2 1 399.579 3.888 20 0 GHADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207272157 1034227846 /nfs/dbraw/zinc/22/78/46/1034227846.db2.gz XERMQVPWIUTHNY-XOYNAWAESA-N 2 1 399.579 3.888 20 0 GHADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207272157 1034227862 /nfs/dbraw/zinc/22/78/62/1034227862.db2.gz XERMQVPWIUTHNY-XOYNAWAESA-N 2 1 399.579 3.888 20 0 GHADMP COc1ccc([C@@H](C[N@@H+](C)CC(C)(C)C[NH+](C)C)C2(O)CCCCC2)cc1 ZINC001207289134 1034239479 /nfs/dbraw/zinc/23/94/79/1034239479.db2.gz ZRNZYFRAKDPXEY-OAQYLSRUSA-N 2 1 376.585 3.994 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CCC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001207289400 1034240857 /nfs/dbraw/zinc/24/08/57/1034240857.db2.gz MFAHPCLSZLDFPD-LOSJGSFVSA-N 2 1 398.591 3.949 20 0 GHADMP O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC001207291492 1034242276 /nfs/dbraw/zinc/24/22/76/1034242276.db2.gz PUZVDBQMCOPCDF-WBDAEOGXSA-N 2 1 395.591 3.525 20 0 GHADMP COc1cc2c(cc1OC)C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207291164 1034242667 /nfs/dbraw/zinc/24/26/67/1034242667.db2.gz MIAKHNDGFIRNMF-UHFFFAOYSA-N 2 1 380.532 3.974 20 0 GHADMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001207294748 1034247079 /nfs/dbraw/zinc/24/70/79/1034247079.db2.gz RXPGFWMIFBWCPZ-ZBYYUNFXSA-N 2 1 399.579 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001207375910 1034319357 /nfs/dbraw/zinc/31/93/57/1034319357.db2.gz QTJMQDBSOMHONQ-JOCHJYFZSA-N 2 1 399.579 3.909 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCN(C[C@H]3CC=C(CCCC(C)(C)O)CC3)CC2)CC1 ZINC001207409283 1034348377 /nfs/dbraw/zinc/34/83/77/1034348377.db2.gz BHTKEAOZXVRQTC-QFIPXVFZSA-N 2 1 391.644 3.614 20 0 GHADMP COc1ccc(CC[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001207474904 1034386859 /nfs/dbraw/zinc/38/68/59/1034386859.db2.gz ZDXFMGTXVZEKSB-FQEVSTJZSA-N 2 1 384.520 3.586 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CCc1ccc(F)cc1)CC2 ZINC001207512336 1034417448 /nfs/dbraw/zinc/41/74/48/1034417448.db2.gz MBPBZUQMPOBBFL-QFIPXVFZSA-N 2 1 383.511 3.519 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(CCc3ccccc3Br)C2)C1 ZINC001207528974 1034432674 /nfs/dbraw/zinc/43/26/74/1034432674.db2.gz SZOQLIQCIPTFNG-FQEVSTJZSA-N 2 1 395.385 3.814 20 0 GHADMP CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@@H]6CC[N@H+](C)C6)cc54)O[C@H](C[NH+]3C1)C2 ZINC001231317083 1034513485 /nfs/dbraw/zinc/51/34/85/1034513485.db2.gz JPPKICPSJZQYPL-WUZVVHMOSA-N 2 1 393.531 3.632 20 0 GHADMP CC[C@]12C[C@H]3[C@@H](c4ccnc5ccc(O[C@@H]6CC[N@@H+](C)C6)cc54)O[C@H](C[NH+]3C1)C2 ZINC001231317083 1034513499 /nfs/dbraw/zinc/51/34/99/1034513499.db2.gz JPPKICPSJZQYPL-WUZVVHMOSA-N 2 1 393.531 3.632 20 0 GHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207768540 1034565290 /nfs/dbraw/zinc/56/52/90/1034565290.db2.gz ICXRTMSTQHRJHH-UEQSERJNSA-N 2 1 386.580 3.708 20 0 GHADMP C[N@@H+](C1CC1)C1CC[NH+](CC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207807869 1034586410 /nfs/dbraw/zinc/58/64/10/1034586410.db2.gz UIEDIRNKMCAFMM-UHFFFAOYSA-N 2 1 391.600 3.972 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207821627 1034599959 /nfs/dbraw/zinc/59/99/59/1034599959.db2.gz JVTDNXGVSHPNGW-DOTOQJQBSA-N 2 1 389.531 3.541 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2[C@@H](C)CN(C(=O)OC(C)(C)C)CC2(F)F)CC1 ZINC001207821627 1034599963 /nfs/dbraw/zinc/59/99/63/1034599963.db2.gz JVTDNXGVSHPNGW-DOTOQJQBSA-N 2 1 389.531 3.541 20 0 GHADMP C(Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1)=C1CC[NH2+]CC1 ZINC001159478638 1034612824 /nfs/dbraw/zinc/61/28/24/1034612824.db2.gz ZTBWFGIYSBJWRZ-UHFFFAOYSA-N 2 1 376.548 3.684 20 0 GHADMP Cc1nc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC001159521487 1034636944 /nfs/dbraw/zinc/63/69/44/1034636944.db2.gz XHCOJPXUQPXGFF-HSZRJFAPSA-N 2 1 390.531 3.877 20 0 GHADMP FC(F)(F)c1c[nH+]ccc1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC001159574014 1034673014 /nfs/dbraw/zinc/67/30/14/1034673014.db2.gz GRYHZJJOUZVKTO-UHFFFAOYSA-N 2 1 390.331 3.694 20 0 GHADMP CCOc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)ccc1OCCCOC ZINC001231552410 1034703265 /nfs/dbraw/zinc/70/32/65/1034703265.db2.gz CXTZRVWYLZNCPH-UHFFFAOYSA-N 2 1 399.535 3.526 20 0 GHADMP Brc1c[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001231573831 1034723882 /nfs/dbraw/zinc/72/38/82/1034723882.db2.gz CVSZHWOMIGCUBB-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001208108267 1034739242 /nfs/dbraw/zinc/73/92/42/1034739242.db2.gz RPXWVJGBSVWMKT-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP C[C@@H]([NH3+])CCNc1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3 ZINC001159778666 1034740662 /nfs/dbraw/zinc/74/06/62/1034740662.db2.gz QKSRLHKPFIQIDY-HUUCEWRRSA-N 2 1 387.597 3.951 20 0 GHADMP CC/C=C\CCC[NH+]1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001208136168 1034753096 /nfs/dbraw/zinc/75/30/96/1034753096.db2.gz SJJDBXSZOWDINS-XSAUMEDDSA-N 2 1 378.601 3.962 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC001208159206 1034765279 /nfs/dbraw/zinc/76/52/79/1034765279.db2.gz OVMUNNQRHQLIQR-OAQYLSRUSA-N 2 1 395.551 3.662 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCCC1 ZINC001208185984 1034782328 /nfs/dbraw/zinc/78/23/28/1034782328.db2.gz GGTTXHUMQFJJSB-DEOSSOPVSA-N 2 1 381.564 3.509 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208208430 1034798573 /nfs/dbraw/zinc/79/85/73/1034798573.db2.gz GAYSIIZKDZXRFS-YTQUADARSA-N 2 1 384.545 3.719 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001208208430 1034798588 /nfs/dbraw/zinc/79/85/88/1034798588.db2.gz GAYSIIZKDZXRFS-YTQUADARSA-N 2 1 384.545 3.719 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208208430 1034798598 /nfs/dbraw/zinc/79/85/98/1034798598.db2.gz GAYSIIZKDZXRFS-YTQUADARSA-N 2 1 384.545 3.719 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001208208430 1034798611 /nfs/dbraw/zinc/79/86/11/1034798611.db2.gz GAYSIIZKDZXRFS-YTQUADARSA-N 2 1 384.545 3.719 20 0 GHADMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231652674 1034808943 /nfs/dbraw/zinc/80/89/43/1034808943.db2.gz HYOBUMBWKIWWNA-BVSLBCMMSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231652674 1034808959 /nfs/dbraw/zinc/80/89/59/1034808959.db2.gz HYOBUMBWKIWWNA-BVSLBCMMSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231652674 1034808977 /nfs/dbraw/zinc/80/89/77/1034808977.db2.gz HYOBUMBWKIWWNA-BVSLBCMMSA-N 2 1 380.536 3.608 20 0 GHADMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cn1 ZINC001231652674 1034808984 /nfs/dbraw/zinc/80/89/84/1034808984.db2.gz HYOBUMBWKIWWNA-BVSLBCMMSA-N 2 1 380.536 3.608 20 0 GHADMP c1csc(C[NH+]2C[C@@H]3C[NH+](CC4(c5ccccc5)CCOCC4)C[C@H]3C2)c1 ZINC001208223335 1034811221 /nfs/dbraw/zinc/81/12/21/1034811221.db2.gz PNHYXKNPNIGHJU-WOJBJXKFSA-N 2 1 382.573 3.860 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668482 1034822845 /nfs/dbraw/zinc/82/28/45/1034822845.db2.gz WMTNERMULIKVTO-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668482 1034822862 /nfs/dbraw/zinc/82/28/62/1034822862.db2.gz WMTNERMULIKVTO-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668482 1034822875 /nfs/dbraw/zinc/82/28/75/1034822875.db2.gz WMTNERMULIKVTO-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4cc[nH]c4cn3)C[C@@H]21 ZINC001231668482 1034822890 /nfs/dbraw/zinc/82/28/90/1034822890.db2.gz WMTNERMULIKVTO-RZFNWQHOSA-N 2 1 375.520 3.690 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668481 1034823438 /nfs/dbraw/zinc/82/34/38/1034823438.db2.gz WMTNERMULIKVTO-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668481 1034823446 /nfs/dbraw/zinc/82/34/46/1034823446.db2.gz WMTNERMULIKVTO-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668481 1034823453 /nfs/dbraw/zinc/82/34/53/1034823453.db2.gz WMTNERMULIKVTO-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc4cc[nH]c4cn3)C[C@H]21 ZINC001231668481 1034823459 /nfs/dbraw/zinc/82/34/59/1034823459.db2.gz WMTNERMULIKVTO-QTGUNEKASA-N 2 1 375.520 3.690 20 0 GHADMP Fc1cc(Nc2ccc(C3([NH+]4CCOCC4)CC3)cc2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160164123 1034885807 /nfs/dbraw/zinc/88/58/07/1034885807.db2.gz RILNMWFPIOJZFU-HXUWFJFHSA-N 2 1 397.494 3.631 20 0 GHADMP [NH3+]CCCCCCCC(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001160294797 1034931840 /nfs/dbraw/zinc/93/18/40/1034931840.db2.gz GBASBFDARIMPKH-QFIPXVFZSA-N 2 1 375.532 3.692 20 0 GHADMP C[N@@H+](C1CCOCC1)C1CCN(C[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001208590367 1034946798 /nfs/dbraw/zinc/94/67/98/1034946798.db2.gz CVTFSDSPGUPFAK-DEOSSOPVSA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208590367 1034946806 /nfs/dbraw/zinc/94/68/06/1034946806.db2.gz CVTFSDSPGUPFAK-DEOSSOPVSA-N 2 1 385.596 3.616 20 0 GHADMP C[NH+](C1CCOCC1)C1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208590367 1034946811 /nfs/dbraw/zinc/94/68/11/1034946811.db2.gz CVTFSDSPGUPFAK-DEOSSOPVSA-N 2 1 385.596 3.616 20 0 GHADMP CN1CCC([N@H+](Cc2ccc(F)cc2)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208626405 1034958901 /nfs/dbraw/zinc/95/89/01/1034958901.db2.gz NGZQEYIBCHBYTB-UHFFFAOYSA-N 2 1 391.531 3.589 20 0 GHADMP COC1CC[NH+](C2CC[NH+](CCCc3cccc(Br)c3)CC2)CC1 ZINC001208824383 1035043107 /nfs/dbraw/zinc/04/31/07/1035043107.db2.gz GKRYQRHMLZZYDW-UHFFFAOYSA-N 2 1 395.385 3.957 20 0 GHADMP c1c(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)[nH]c2cc[nH+]cc12 ZINC001232015483 1035045491 /nfs/dbraw/zinc/04/54/91/1035045491.db2.gz XFKCXUOUCROWPZ-PKTZIBPZSA-N 2 1 392.503 3.546 20 0 GHADMP Fc1ccc(Cn2ccc3c2nc[nH+]c3N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)cc1 ZINC001160744220 1035053113 /nfs/dbraw/zinc/05/31/13/1035053113.db2.gz YWQIFEBVGQDDLA-CVEARBPZSA-N 2 1 393.388 3.571 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001160808314 1035070482 /nfs/dbraw/zinc/07/04/82/1035070482.db2.gz NQPYMCYADGCGHI-QFIPXVFZSA-N 2 1 385.596 3.773 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ncccc4[nH]3)C[C@@H]21 ZINC001232070331 1035076583 /nfs/dbraw/zinc/07/65/83/1035076583.db2.gz RRCJQSSQJFPVAM-DHJUGAMNSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4ncccc4[nH]3)C[C@@H]21 ZINC001232070331 1035076588 /nfs/dbraw/zinc/07/65/88/1035076588.db2.gz RRCJQSSQJFPVAM-DHJUGAMNSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4ncccc4[nH]3)C[C@@H]21 ZINC001232070331 1035076595 /nfs/dbraw/zinc/07/65/95/1035076595.db2.gz RRCJQSSQJFPVAM-DHJUGAMNSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4ncccc4[nH]3)C[C@@H]21 ZINC001232070331 1035076601 /nfs/dbraw/zinc/07/66/01/1035076601.db2.gz RRCJQSSQJFPVAM-DHJUGAMNSA-N 2 1 375.520 3.690 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C(F)(F)F)n1 ZINC001232088839 1035087325 /nfs/dbraw/zinc/08/73/25/1035087325.db2.gz LCQCRWJIIGQGAK-QZTJIDSGSA-N 2 1 392.469 3.783 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C(F)(F)F)n1 ZINC001232088839 1035087334 /nfs/dbraw/zinc/08/73/34/1035087334.db2.gz LCQCRWJIIGQGAK-QZTJIDSGSA-N 2 1 392.469 3.783 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(C(F)(F)F)n1 ZINC001232088839 1035087342 /nfs/dbraw/zinc/08/73/42/1035087342.db2.gz LCQCRWJIIGQGAK-QZTJIDSGSA-N 2 1 392.469 3.783 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208930348 1035095636 /nfs/dbraw/zinc/09/56/36/1035095636.db2.gz ABDUZVWBHXDSTB-FQEVSTJZSA-N 2 1 378.516 3.744 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208930348 1035095647 /nfs/dbraw/zinc/09/56/47/1035095647.db2.gz ABDUZVWBHXDSTB-FQEVSTJZSA-N 2 1 378.516 3.744 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208930348 1035095657 /nfs/dbraw/zinc/09/56/57/1035095657.db2.gz ABDUZVWBHXDSTB-FQEVSTJZSA-N 2 1 378.516 3.744 20 0 GHADMP COC(=O)c1ccc2c(c1)CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208930348 1035095665 /nfs/dbraw/zinc/09/56/65/1035095665.db2.gz ABDUZVWBHXDSTB-FQEVSTJZSA-N 2 1 378.516 3.744 20 0 GHADMP O=C1Nc2ccccc2C12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208930412 1035095850 /nfs/dbraw/zinc/09/58/50/1035095850.db2.gz BCGOZJGELLHMGY-NRFANRHFSA-N 2 1 389.543 3.885 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208932081 1035096487 /nfs/dbraw/zinc/09/64/87/1035096487.db2.gz NXNBZXRXFPALBR-YSFYHYPLSA-N 2 1 399.579 3.601 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208932081 1035096497 /nfs/dbraw/zinc/09/64/97/1035096497.db2.gz NXNBZXRXFPALBR-YSFYHYPLSA-N 2 1 399.579 3.601 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208932081 1035096499 /nfs/dbraw/zinc/09/64/99/1035096499.db2.gz NXNBZXRXFPALBR-YSFYHYPLSA-N 2 1 399.579 3.601 20 0 GHADMP CC(C)(C)OC(=O)NCCC1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939743 1035108598 /nfs/dbraw/zinc/10/85/98/1035108598.db2.gz HVWDPQJNMCAIOK-HXUWFJFHSA-N 2 1 387.568 3.745 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942627 1035111102 /nfs/dbraw/zinc/11/11/02/1035111102.db2.gz QPAHZJWQQSFBNK-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942627 1035111104 /nfs/dbraw/zinc/11/11/04/1035111104.db2.gz QPAHZJWQQSFBNK-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208942627 1035111106 /nfs/dbraw/zinc/11/11/06/1035111106.db2.gz QPAHZJWQQSFBNK-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208941873 1035111193 /nfs/dbraw/zinc/11/11/93/1035111193.db2.gz NNTRRNJXGKVZCW-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208941873 1035111195 /nfs/dbraw/zinc/11/11/95/1035111195.db2.gz NNTRRNJXGKVZCW-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]12CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208941873 1035111196 /nfs/dbraw/zinc/11/11/96/1035111196.db2.gz NNTRRNJXGKVZCW-QPPBQGQZSA-N 2 1 399.579 3.984 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208944568 1035115441 /nfs/dbraw/zinc/11/54/41/1035115441.db2.gz LCBRSOSYTSVNRQ-OFNKIYASSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208944568 1035115448 /nfs/dbraw/zinc/11/54/48/1035115448.db2.gz LCBRSOSYTSVNRQ-OFNKIYASSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208944568 1035115457 /nfs/dbraw/zinc/11/54/57/1035115457.db2.gz LCBRSOSYTSVNRQ-OFNKIYASSA-N 2 1 395.572 3.699 20 0 GHADMP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944894 1035115491 /nfs/dbraw/zinc/11/54/91/1035115491.db2.gz PKQNBRZEYUVZCN-NFBKMPQASA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944894 1035115497 /nfs/dbraw/zinc/11/54/97/1035115497.db2.gz PKQNBRZEYUVZCN-NFBKMPQASA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944894 1035115502 /nfs/dbraw/zinc/11/55/02/1035115502.db2.gz PKQNBRZEYUVZCN-NFBKMPQASA-N 2 1 378.516 3.671 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc21 ZINC001208944894 1035115506 /nfs/dbraw/zinc/11/55/06/1035115506.db2.gz PKQNBRZEYUVZCN-NFBKMPQASA-N 2 1 378.516 3.671 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@@H]1CC[NH+](Cc3ccccc3)C1)[C@@H]2C ZINC001208948656 1035118964 /nfs/dbraw/zinc/11/89/64/1035118964.db2.gz YNAJNUXFUBMVFY-IFMALSPDSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)[C@@H]2C ZINC001208948656 1035118970 /nfs/dbraw/zinc/11/89/70/1035118970.db2.gz YNAJNUXFUBMVFY-IFMALSPDSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)[C@@H]2C ZINC001208948656 1035118973 /nfs/dbraw/zinc/11/89/73/1035118973.db2.gz YNAJNUXFUBMVFY-IFMALSPDSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949869 1035120546 /nfs/dbraw/zinc/12/05/46/1035120546.db2.gz ZEJIRNVQJMJFAM-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208949869 1035120553 /nfs/dbraw/zinc/12/05/53/1035120553.db2.gz ZEJIRNVQJMJFAM-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208949869 1035120559 /nfs/dbraw/zinc/12/05/59/1035120559.db2.gz ZEJIRNVQJMJFAM-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@]1(C)CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208949869 1035120562 /nfs/dbraw/zinc/12/05/62/1035120562.db2.gz ZEJIRNVQJMJFAM-NZQKXSOJSA-N 2 1 387.568 3.888 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232144307 1035121945 /nfs/dbraw/zinc/12/19/45/1035121945.db2.gz HPQLZDHDTLVTHS-QFIPXVFZSA-N 2 1 391.531 3.720 20 0 GHADMP O=C(NC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1cccc(F)c1 ZINC001208951778 1035123438 /nfs/dbraw/zinc/12/34/38/1035123438.db2.gz BMTZMOXTIRBNBM-HXUWFJFHSA-N 2 1 395.522 3.542 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@@H](CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001232146981 1035124960 /nfs/dbraw/zinc/12/49/60/1035124960.db2.gz BYCHZBMSHYISMQ-KDURUIRLSA-N 2 1 391.531 3.576 20 0 GHADMP Cc1ccc(O[C@H]2C[C@H]3CN(Cc4cc(F)cc(C[NH+](C)C)c4)CC[N@H+]3C2)cc1 ZINC001232147157 1035125226 /nfs/dbraw/zinc/12/52/26/1035125226.db2.gz KFIHELHRXDWLMX-UPVQGACJSA-N 2 1 397.538 3.533 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001232146772 1035125315 /nfs/dbraw/zinc/12/53/15/1035125315.db2.gz GXVXQZLWSQLHLS-MRXNPFEDSA-N 2 1 379.520 3.624 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952781 1035125708 /nfs/dbraw/zinc/12/57/08/1035125708.db2.gz LKRRMZMNWHWGSZ-DQEYMECFSA-N 2 1 377.576 3.962 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c1 ZINC001232148595 1035126390 /nfs/dbraw/zinc/12/63/90/1035126390.db2.gz RLVCCGZCZPPNPE-OAQYLSRUSA-N 2 1 387.524 3.578 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001232152188 1035131260 /nfs/dbraw/zinc/13/12/60/1035131260.db2.gz VGQHKFNLMIZXGB-LJQANCHMSA-N 2 1 399.485 3.647 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001232152188 1035131266 /nfs/dbraw/zinc/13/12/66/1035131266.db2.gz VGQHKFNLMIZXGB-LJQANCHMSA-N 2 1 399.485 3.647 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001209144613 1035192014 /nfs/dbraw/zinc/19/20/14/1035192014.db2.gz HOXCAHZIYFOUQL-YFNKSVMNSA-N 2 1 391.559 3.792 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001209144613 1035192019 /nfs/dbraw/zinc/19/20/19/1035192019.db2.gz HOXCAHZIYFOUQL-YFNKSVMNSA-N 2 1 391.559 3.792 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001209144613 1035192023 /nfs/dbraw/zinc/19/20/23/1035192023.db2.gz HOXCAHZIYFOUQL-YFNKSVMNSA-N 2 1 391.559 3.792 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC001209144613 1035192027 /nfs/dbraw/zinc/19/20/27/1035192027.db2.gz HOXCAHZIYFOUQL-YFNKSVMNSA-N 2 1 391.559 3.792 20 0 GHADMP C[C@]1(C[NH3+])CCCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001161489136 1035240159 /nfs/dbraw/zinc/24/01/59/1035240159.db2.gz KLAYQCCOFZZLFV-PZJWPPBQSA-N 2 1 377.960 3.845 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1Cc3ccccc3C1)CC2 ZINC001209320694 1035241838 /nfs/dbraw/zinc/24/18/38/1035241838.db2.gz KMOKYUCBWILQND-QFIPXVFZSA-N 2 1 380.532 3.750 20 0 GHADMP C[N@H+](Cc1ccccc1)C1CC[NH+](CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209364253 1035254955 /nfs/dbraw/zinc/25/49/55/1035254955.db2.gz RMEOBTZZXUHKNZ-UHFFFAOYSA-N 2 1 375.557 3.888 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCCCNC(=O)OC(C)(C)C)CC1 ZINC001209364253 1035254960 /nfs/dbraw/zinc/25/49/60/1035254960.db2.gz RMEOBTZZXUHKNZ-UHFFFAOYSA-N 2 1 375.557 3.888 20 0 GHADMP [NH3+]C1(CC2CCC2)CCN(c2[nH+]cnc3c2ccn3Cc2ccccc2)CC1 ZINC001161571521 1035260651 /nfs/dbraw/zinc/26/06/51/1035260651.db2.gz LWOXPPSBALLUSV-UHFFFAOYSA-N 2 1 375.520 3.968 20 0 GHADMP COC1CCC(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001209392931 1035267938 /nfs/dbraw/zinc/26/79/38/1035267938.db2.gz NWPHGKFPZGRYEZ-IOJLRTSASA-N 2 1 376.541 3.540 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC001209451715 1035276807 /nfs/dbraw/zinc/27/68/07/1035276807.db2.gz OTCVEIXDZODJPL-HSZRJFAPSA-N 2 1 385.596 3.618 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451715 1035276811 /nfs/dbraw/zinc/27/68/11/1035276811.db2.gz OTCVEIXDZODJPL-HSZRJFAPSA-N 3 1 385.596 3.618 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC001209451715 1035276816 /nfs/dbraw/zinc/27/68/16/1035276816.db2.gz OTCVEIXDZODJPL-HSZRJFAPSA-N 3 1 385.596 3.618 20 0 GHADMP CC[C@H](C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1)NC(=O)OC(C)(C)C ZINC001209464032 1035281253 /nfs/dbraw/zinc/28/12/53/1035281253.db2.gz VMYUZQFMCGLZAO-PCCBWWKXSA-N 2 1 387.568 3.662 20 0 GHADMP [NH3+]C1CCN(c2cc[nH+]c(N[C@H](CC3CCOCC3)c3cccc(F)c3)n2)CC1 ZINC001161838755 1035312496 /nfs/dbraw/zinc/31/24/96/1035312496.db2.gz WSZFLLTVPZUYRI-HXUWFJFHSA-N 2 1 399.514 3.513 20 0 GHADMP [NH3+][C@H]1CC[C@H](NC(=O)c2ccccc2C2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001241507227 1035598311 /nfs/dbraw/zinc/59/83/11/1035598311.db2.gz SDTVQXCEHHEJRK-HZCBDIJESA-N 2 1 389.543 3.976 20 0 GHADMP Cc1c(Br)ccc(-c2noc([C@@H]([NH3+])CCCC[NH+](C)C)n2)c1F ZINC001248194056 1035622891 /nfs/dbraw/zinc/62/28/91/1035622891.db2.gz DHPPNWDCMIUJQZ-ZDUSSCGKSA-N 2 1 385.281 3.678 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC001248536109 1035941131 /nfs/dbraw/zinc/94/11/31/1035941131.db2.gz DFNZBJVOIYPSEC-VIZSFHNOSA-N 2 1 396.579 3.806 20 0 GHADMP CC[NH+](CC)Cc1ccccc1-c1cc(C[NH+]2CCN(C)CC2)ccc1OC ZINC001243340981 1036120735 /nfs/dbraw/zinc/12/07/35/1036120735.db2.gz ZHFQQYJFZCAJHK-UHFFFAOYSA-N 2 1 381.564 3.951 20 0 GHADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc(C[NH2+]C3CCCCC3)n2)c1 ZINC001248942078 1036254341 /nfs/dbraw/zinc/25/43/41/1036254341.db2.gz OSUOMVILMDYPLC-UHFFFAOYSA-N 2 1 379.464 3.547 20 0 GHADMP COc1cc(N2CC[NH+](C)CC2)ccc1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001244155798 1036398526 /nfs/dbraw/zinc/39/85/26/1036398526.db2.gz LAFRVTQXDDPCBY-IBGZPJMESA-N 2 1 394.563 3.883 20 0 GHADMP Cc1cc(Br)cc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001278380224 1036468031 /nfs/dbraw/zinc/46/80/31/1036468031.db2.gz ZNWVUTFUTMELCT-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP Cc1cc(F)cc(-c2ccc(OCCC[NH+](C)C)cc2)c1C[NH+]1CCOCC1 ZINC001245341379 1036888983 /nfs/dbraw/zinc/88/89/83/1036888983.db2.gz NCEVFUCWSOBPQO-UHFFFAOYSA-N 2 1 386.511 3.964 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC001245997937 1037119186 /nfs/dbraw/zinc/11/91/86/1037119186.db2.gz YYRQCZZHFNZNRP-WQRJOSILSA-N 2 1 389.273 3.853 20 0 GHADMP CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246017884 1037137720 /nfs/dbraw/zinc/13/77/20/1037137720.db2.gz BWLDDARUDBNJKP-LPHOPBHVSA-N 2 1 388.930 3.966 20 0 GHADMP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@@H](O)COc2cccc3[nH]c4ccccc4c32)C1 ZINC001246018051 1037138568 /nfs/dbraw/zinc/13/85/68/1037138568.db2.gz ABZPNIDICCWYTI-HXOBKFHXSA-N 2 1 381.520 3.512 20 0 GHADMP C[C@@](O)(C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2)c1ccccc1 ZINC001246023533 1037141064 /nfs/dbraw/zinc/14/10/64/1037141064.db2.gz CUVZDANIQFWQDX-BJKOFHAPSA-N 2 1 394.559 3.698 20 0 GHADMP CSCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC[C@@H]2C1 ZINC001278426978 1037162551 /nfs/dbraw/zinc/16/25/51/1037162551.db2.gz XKBGPPDVDRFLRI-BGYRXZFFSA-N 2 1 375.582 3.542 20 0 GHADMP CSCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccc(NC(C)=O)cc3)CC[C@@H]2C1 ZINC001278426978 1037162568 /nfs/dbraw/zinc/16/25/68/1037162568.db2.gz XKBGPPDVDRFLRI-BGYRXZFFSA-N 2 1 375.582 3.542 20 0 GHADMP CSCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccc(NC(C)=O)cc3)CC[C@@H]2C1 ZINC001278426978 1037162580 /nfs/dbraw/zinc/16/25/80/1037162580.db2.gz XKBGPPDVDRFLRI-BGYRXZFFSA-N 2 1 375.582 3.542 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CC[NH2+]C1)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001246058248 1037170346 /nfs/dbraw/zinc/17/03/46/1037170346.db2.gz DBNDHZBLDCJXPB-DLTYFMDKSA-N 2 1 380.532 3.522 20 0 GHADMP C[N@@H+](CCCC12CCC(c3ccccc31)c1ccccc12)C[C@@]1(O)CC[NH2+]C1 ZINC001246057027 1037170799 /nfs/dbraw/zinc/17/07/99/1037170799.db2.gz RFDZZMXXINMXDU-ISISGCMPSA-N 2 1 376.544 3.648 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246067918 1037180878 /nfs/dbraw/zinc/18/08/78/1037180878.db2.gz QJYSQMOHLVNYCD-OHUMZHCVSA-N 2 1 391.600 3.747 20 0 GHADMP CC(C)OC1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246190124 1037229110 /nfs/dbraw/zinc/22/91/10/1037229110.db2.gz APJZGDMQKGOURK-CBNMVNINSA-N 2 1 376.541 3.553 20 0 GHADMP [NH3+][C@H]1C[C@@H](N[C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001246189595 1037229207 /nfs/dbraw/zinc/22/92/07/1037229207.db2.gz OEGATVRUVRQQOK-NHTNDUFYSA-N 3 1 375.560 3.831 20 0 GHADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OCc2ccccc2)cc1 ZINC001246191148 1037230402 /nfs/dbraw/zinc/23/04/02/1037230402.db2.gz KHGDXMMRTPRYJY-CVDCTZTESA-N 2 1 398.547 3.847 20 0 GHADMP C[C@@H]1C[C@@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)CC[NH2+]1 ZINC001246311075 1037290769 /nfs/dbraw/zinc/29/07/69/1037290769.db2.gz JQSWQPNQFIJJPV-AGHHOFFYSA-N 2 1 391.515 3.568 20 0 GHADMP C[C@@H]1C[C@@H](NC2(Cc3ccc(F)cc3)CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC001246392203 1037352911 /nfs/dbraw/zinc/35/29/11/1037352911.db2.gz RALCQIZAUGFJKT-AUSIDOKSSA-N 2 1 381.539 3.743 20 0 GHADMP CC1(C)C[NH2+]C[C@H](C[NH2+]C2CCC(c3ccc(Br)cc3)CC2)O1 ZINC001246415720 1037371283 /nfs/dbraw/zinc/37/12/83/1037371283.db2.gz ZFYAXFHJBKZFBL-VMWRSERWSA-N 2 1 381.358 3.832 20 0 GHADMP Clc1cccc(C2(C[NH2+][C@H]3CCC[N@@H+](C4CCCC4)C3)CC[NH2+]CC2)c1 ZINC001246428006 1037387137 /nfs/dbraw/zinc/38/71/37/1037387137.db2.gz OFEZULAHXBZDHN-FQEVSTJZSA-N 3 1 375.988 3.958 20 0 GHADMP Clc1cccc(C2(C[NH2+][C@H]3CCC[N@H+](C4CCCC4)C3)CC[NH2+]CC2)c1 ZINC001246428006 1037387157 /nfs/dbraw/zinc/38/71/57/1037387157.db2.gz OFEZULAHXBZDHN-FQEVSTJZSA-N 3 1 375.988 3.958 20 0 GHADMP C[C@@H]1C[C@@H](NC2(Cc3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246455239 1037416442 /nfs/dbraw/zinc/41/64/42/1037416442.db2.gz HVBJOHIGDVABPZ-QPPBQGQZSA-N 2 1 377.576 3.994 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)C[C@H](CC)[NH2+]1 ZINC001246466379 1037420187 /nfs/dbraw/zinc/42/01/87/1037420187.db2.gz QBFVPOQHSCMTNR-PIIMJCKOSA-N 2 1 381.499 3.934 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc3nnc(-c4ccccc4F)n3c2)CC[NH2+]1 ZINC001246467102 1037420731 /nfs/dbraw/zinc/42/07/31/1037420731.db2.gz SCAKEGHNILZCHV-VQIMIIECSA-N 2 1 381.499 3.792 20 0 GHADMP C[C@H](CCc1ccc(Br)cc1)[NH2+]CC[C@@H]1CC[NH2+]CC1(F)F ZINC001246484016 1037431050 /nfs/dbraw/zinc/43/10/50/1037431050.db2.gz VTIYKAGZVNYPHL-HIFRSBDPSA-N 2 1 375.301 3.995 20 0 GHADMP CC(C)OC1CCC([NH2+]CCCC[C@@H]([NH3+])C(=O)OCc2ccccc2)CC1 ZINC001246485381 1037432483 /nfs/dbraw/zinc/43/24/83/1037432483.db2.gz KMMXLEBQNWUAIW-XVAXZDLZSA-N 2 1 376.541 3.553 20 0 GHADMP FC1(F)CNCC[C@@H]1CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246487789 1037434136 /nfs/dbraw/zinc/43/41/36/1037434136.db2.gz MJPDROQKMILNKN-MXEMCNAFSA-N 2 1 377.523 3.797 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[C@H]([NH3+])C(=O)SCc1ccccc1)C2 ZINC001246494296 1037439350 /nfs/dbraw/zinc/43/93/50/1037439350.db2.gz XZPGEBCZDAASSI-WOZUAGRISA-N 3 1 389.609 3.549 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCC[C@H]([NH3+])C(=O)SCc1ccccc1)C2 ZINC001246494296 1037439360 /nfs/dbraw/zinc/43/93/60/1037439360.db2.gz XZPGEBCZDAASSI-WOZUAGRISA-N 2 1 389.609 3.549 20 0 GHADMP COc1cccc([C@@H](C[NH3+])N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001246509929 1037447745 /nfs/dbraw/zinc/44/77/45/1037447745.db2.gz KRGHLQJHCXNDNO-JTOYRKQZSA-N 2 1 379.548 3.870 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(C)cc(C)c(COC)c1C ZINC001462192654 1070068831 /nfs/dbraw/zinc/06/88/31/1070068831.db2.gz PECXKQYGZALYPW-OAQYLSRUSA-N 2 1 375.601 3.606 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H](N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246551504 1037475873 /nfs/dbraw/zinc/47/58/73/1037475873.db2.gz RRPANRPXEFUNRT-MOPGFXCFSA-N 2 1 383.502 3.990 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)CC1 ZINC001246581262 1037487720 /nfs/dbraw/zinc/48/77/20/1037487720.db2.gz YMEBALWPVORKQP-CDNNERCOSA-N 2 1 383.580 3.768 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC[NH2+]1 ZINC001246588266 1037490685 /nfs/dbraw/zinc/49/06/85/1037490685.db2.gz LAIQBUOULQUGHY-FYYLOGMGSA-N 3 1 381.539 3.920 20 0 GHADMP c1ccc(C[C@@H]2CN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC[NH2+]2)cc1 ZINC001246602750 1037500147 /nfs/dbraw/zinc/50/01/47/1037500147.db2.gz PISMRQWFLCPQNF-NGSHPTGOSA-N 2 1 375.560 3.699 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2C[C@H](c4ccccc4)C4(C[NH2+]C4)C2)C3)cc1 ZINC001246617971 1037509758 /nfs/dbraw/zinc/50/97/58/1037509758.db2.gz FAHJDWUYBUZPBP-WSOYEBOPSA-N 2 1 387.571 3.871 20 0 GHADMP Brc1cccc2c1C[C@@H]([N@@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246628339 1037514855 /nfs/dbraw/zinc/51/48/55/1037514855.db2.gz XJXIHXHDNQGNLK-ICSRJNTNSA-N 2 1 397.360 3.995 20 0 GHADMP Brc1cccc2c1C[C@@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246628339 1037514876 /nfs/dbraw/zinc/51/48/76/1037514876.db2.gz XJXIHXHDNQGNLK-ICSRJNTNSA-N 2 1 397.360 3.995 20 0 GHADMP CN(C)c1nc(C(F)(F)F)ccc1C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001462189422 1070067470 /nfs/dbraw/zinc/06/74/70/1070067470.db2.gz AONCQWULTNUCSC-UHFFFAOYSA-N 2 1 380.458 3.860 20 0 GHADMP CN(C)c1nc(C(F)(F)F)ccc1C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001462189422 1070067489 /nfs/dbraw/zinc/06/74/89/1070067489.db2.gz AONCQWULTNUCSC-UHFFFAOYSA-N 2 1 380.458 3.860 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH+]3CCC4(CC3)C[NH2+]Cc3ccccc34)CC2)cc1 ZINC001246639026 1037524112 /nfs/dbraw/zinc/52/41/12/1037524112.db2.gz MVIZPASYSLXHKW-UHFFFAOYSA-N 3 1 389.587 3.831 20 0 GHADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc2c1 ZINC001246644707 1037526836 /nfs/dbraw/zinc/52/68/36/1037526836.db2.gz IUGGLHTXFQIURP-CYFREDJKSA-N 2 1 382.548 3.872 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CCCC[C@@]34CCC[NH2+]C4)CC[C@H]2C1 ZINC001246655285 1037528006 /nfs/dbraw/zinc/52/80/06/1037528006.db2.gz YVYWCZOGWSYCLW-LCXINAFSSA-N 2 1 395.591 3.926 20 0 GHADMP C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)C[NH2+]1 ZINC001246719056 1037569720 /nfs/dbraw/zinc/56/97/20/1037569720.db2.gz JXRNNINHPUXOHD-HCOVKFPFSA-N 2 1 395.572 3.711 20 0 GHADMP C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCN(c4ccsc4)C3=O)C2)C[NH2+]1 ZINC001246719056 1037569734 /nfs/dbraw/zinc/56/97/34/1037569734.db2.gz JXRNNINHPUXOHD-HCOVKFPFSA-N 2 1 395.572 3.711 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2CC[NH2+]C(C)(C)C2)CC3)c1 ZINC001246718057 1037570584 /nfs/dbraw/zinc/57/05/84/1037570584.db2.gz YEAYACRBZZFAGO-NRFANRHFSA-N 3 1 385.596 3.904 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246745396 1037584885 /nfs/dbraw/zinc/58/48/85/1037584885.db2.gz LJVYVXVQVIQQQG-RBQRNVLBSA-N 2 1 393.506 3.522 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)CC[NH2+]1 ZINC001246745396 1037584915 /nfs/dbraw/zinc/58/49/15/1037584915.db2.gz LJVYVXVQVIQQQG-RBQRNVLBSA-N 2 1 393.506 3.522 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CCN([C@@H]4CC[NH2+][C@@H](C(C)(C)C)C4)CC3)C2)cc1 ZINC001246747574 1037588261 /nfs/dbraw/zinc/58/82/61/1037588261.db2.gz PFYOABROXJFGIT-DHIUTWEWSA-N 2 1 399.623 3.829 20 0 GHADMP c1ccc(O[C@@H]2CO[C@@]3(C2)CCC[N@H+]([C@@H]2CC[NH2+]C4(CCCCC4)C2)C3)nc1 ZINC001246750955 1037591017 /nfs/dbraw/zinc/59/10/17/1037591017.db2.gz ZTIVIZJXTXIKQU-ZRCGQRJVSA-N 2 1 385.552 3.539 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@H](CC)[NH2+]1 ZINC001246766372 1037609609 /nfs/dbraw/zinc/60/96/09/1037609609.db2.gz AOYWUKBJYFHLAG-QWIQJREVSA-N 2 1 398.551 3.545 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CC(C(=O)Nc4ccccc4)=NO3)C2)C[C@H](CC)[NH2+]1 ZINC001246766372 1037609614 /nfs/dbraw/zinc/60/96/14/1037609614.db2.gz AOYWUKBJYFHLAG-QWIQJREVSA-N 2 1 398.551 3.545 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246780117 1037618371 /nfs/dbraw/zinc/61/83/71/1037618371.db2.gz ALQOKBFISYOLGM-FYYLOGMGSA-N 2 1 397.538 3.754 20 0 GHADMP Clc1ccc2nc(N3CCC[N@H+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)sc2c1 ZINC001246823569 1037654877 /nfs/dbraw/zinc/65/48/77/1037654877.db2.gz QCRAPKPRNANDNF-MUJYYYPQSA-N 2 1 376.957 3.745 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246846413 1037670980 /nfs/dbraw/zinc/67/09/80/1037670980.db2.gz GXVMFMKIVGGXJO-GSPCLOLRSA-N 2 1 377.532 3.603 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246846413 1037670993 /nfs/dbraw/zinc/67/09/93/1037670993.db2.gz GXVMFMKIVGGXJO-GSPCLOLRSA-N 2 1 377.532 3.603 20 0 GHADMP COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)[C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)C2 ZINC001246875972 1037687471 /nfs/dbraw/zinc/68/74/71/1037687471.db2.gz KJQCLWIUQTWBMC-QHAWAJNXSA-N 2 1 380.532 3.639 20 0 GHADMP COc1ccc([C@H](C[N@@H+](C)C2CCC3(C[NH2+]C3)CC2)C2(O)CCCCC2)cc1 ZINC001246873107 1037688929 /nfs/dbraw/zinc/68/89/29/1037688929.db2.gz DRLRLQVHKMCBEG-QFIPXVFZSA-N 2 1 386.580 3.938 20 0 GHADMP CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246881122 1037697584 /nfs/dbraw/zinc/69/75/84/1037697584.db2.gz YAQTUWVAUIKVIV-WLXPTCNVSA-N 2 1 382.548 3.885 20 0 GHADMP COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246893948 1037707795 /nfs/dbraw/zinc/70/77/95/1037707795.db2.gz YGYQNSHBVSWDPL-VXKWHMMOSA-N 2 1 385.596 3.904 20 0 GHADMP CC1(C)[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246922972 1037729343 /nfs/dbraw/zinc/72/93/43/1037729343.db2.gz AJMJBSVKHLOGHN-DRMXPCRNSA-N 2 1 376.500 3.821 20 0 GHADMP CC1(C)[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246922972 1037729363 /nfs/dbraw/zinc/72/93/63/1037729363.db2.gz AJMJBSVKHLOGHN-DRMXPCRNSA-N 2 1 376.500 3.821 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246929719 1037732795 /nfs/dbraw/zinc/73/27/95/1037732795.db2.gz GHXWOAZIYPUWMY-WXFUMESZSA-N 2 1 391.559 3.820 20 0 GHADMP CC[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC[NH2+]1 ZINC001246929701 1037733908 /nfs/dbraw/zinc/73/39/08/1037733908.db2.gz GHXWOAZIYPUWMY-SGNDLWITSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1CC([N@@H+](Cc2ccccc2)[C@@H]2CC(=O)N(Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC001246929877 1037734739 /nfs/dbraw/zinc/73/47/39/1037734739.db2.gz IDJLTLAAYRICQC-YOSAUDMPSA-N 2 1 391.559 3.819 20 0 GHADMP COC(=O)CC1CCC([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246941054 1037745851 /nfs/dbraw/zinc/74/58/51/1037745851.db2.gz GFPPUIPEOXOVKG-UHFFFAOYSA-N 2 1 376.516 3.749 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001246958765 1037773965 /nfs/dbraw/zinc/77/39/65/1037773965.db2.gz GWHWVUZBYCWRDM-FXAWDEMLSA-N 2 1 376.516 3.810 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001246959955 1037777844 /nfs/dbraw/zinc/77/78/44/1037777844.db2.gz UWHWBVRWHVGSQI-KRWDZBQOSA-N 2 1 384.495 3.798 20 0 GHADMP COc1ccc(C[N@@H+]([C@H]2Cc3ccc(OC)cc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246962143 1037782232 /nfs/dbraw/zinc/78/22/32/1037782232.db2.gz ADNQITJPQIGEAR-FKBYEOEOSA-N 2 1 380.532 3.943 20 0 GHADMP Fc1cccc(F)c1CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246965804 1037786457 /nfs/dbraw/zinc/78/64/57/1037786457.db2.gz SHHMQLSQRBFGJJ-HXUWFJFHSA-N 2 1 385.502 3.793 20 0 GHADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCN(c2ccc(Br)cc2)CC1 ZINC001246988472 1037812524 /nfs/dbraw/zinc/81/25/24/1037812524.db2.gz GXMFMBYRIVAAPQ-MRXNPFEDSA-N 2 1 380.374 3.739 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246993087 1037818421 /nfs/dbraw/zinc/81/84/21/1037818421.db2.gz KFXVFISRKKRWDT-PDXXHEQOSA-N 2 1 379.523 3.995 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC[NH2+]1 ZINC001246993087 1037818434 /nfs/dbraw/zinc/81/84/34/1037818434.db2.gz KFXVFISRKKRWDT-PDXXHEQOSA-N 2 1 379.523 3.995 20 0 GHADMP Brc1ccc(C[C@@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001247001495 1037826237 /nfs/dbraw/zinc/82/62/37/1037826237.db2.gz PIYPLJJKVVPYRE-GPJFCIFZSA-N 2 1 393.369 3.757 20 0 GHADMP CC(C)COc1ccccc1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001462216111 1070091013 /nfs/dbraw/zinc/09/10/13/1070091013.db2.gz DMTGUVZDBIZVDE-UHFFFAOYSA-N 2 1 395.591 3.971 20 0 GHADMP C[N@@H+](Cc1cccc(Br)c1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232526625 1038290794 /nfs/dbraw/zinc/29/07/94/1038290794.db2.gz LOWIUBFRGDAPFM-KRWDZBQOSA-N 2 1 388.353 3.985 20 0 GHADMP C[N@H+](Cc1cccc(Br)c1N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001232526625 1038290799 /nfs/dbraw/zinc/29/07/99/1038290799.db2.gz LOWIUBFRGDAPFM-KRWDZBQOSA-N 2 1 388.353 3.985 20 0 GHADMP C[NH+](Cc1cccc(Br)c1N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001232526625 1038290805 /nfs/dbraw/zinc/29/08/05/1038290805.db2.gz LOWIUBFRGDAPFM-KRWDZBQOSA-N 2 1 388.353 3.985 20 0 GHADMP C[NH+](Cc1cccc(Br)c1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001232526625 1038290811 /nfs/dbraw/zinc/29/08/11/1038290811.db2.gz LOWIUBFRGDAPFM-KRWDZBQOSA-N 2 1 388.353 3.985 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ccoc3cn1)CC2 ZINC001232549871 1038316662 /nfs/dbraw/zinc/31/66/62/1038316662.db2.gz GLHNAVRCJOAJNH-IBGZPJMESA-N 2 1 381.476 3.676 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2Br)no1 ZINC001247693318 1038333159 /nfs/dbraw/zinc/33/31/59/1038333159.db2.gz OCNKWIUFHYALMB-JTQLQIEISA-N 2 1 393.207 3.647 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001232601907 1038381904 /nfs/dbraw/zinc/38/19/04/1038381904.db2.gz MOQOIHHTOQHJBR-UHFFFAOYSA-N 2 1 397.523 3.871 20 0 GHADMP FC(F)(F)Oc1ccccc1-c1noc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC001247907366 1038480929 /nfs/dbraw/zinc/48/09/29/1038480929.db2.gz RWXWVIPKNNPVNH-ZDUSSCGKSA-N 2 1 396.413 3.567 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942489 1038721962 /nfs/dbraw/zinc/72/19/62/1038721962.db2.gz ZXJKHEKSMZHBQH-RCZSKKKRSA-N 2 1 376.504 3.955 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942489 1038721968 /nfs/dbraw/zinc/72/19/68/1038721968.db2.gz ZXJKHEKSMZHBQH-RCZSKKKRSA-N 2 1 376.504 3.955 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4ncoc4c3)C[C@@H]21 ZINC001232942489 1038721972 /nfs/dbraw/zinc/72/19/72/1038721972.db2.gz ZXJKHEKSMZHBQH-RCZSKKKRSA-N 2 1 376.504 3.955 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnn4ccccc24)CC3)c1 ZINC001233237858 1038996898 /nfs/dbraw/zinc/99/68/98/1038996898.db2.gz YFTFHGFVUDZFIM-UHFFFAOYSA-N 2 1 390.531 3.831 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc5nccn54)CC3)C2)cc1 ZINC001233362530 1039188751 /nfs/dbraw/zinc/18/87/51/1039188751.db2.gz GJRPNTJWYTWNHC-UHFFFAOYSA-N 2 1 390.531 3.510 20 0 GHADMP Nc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(Cl)c1 ZINC001233375111 1039200083 /nfs/dbraw/zinc/20/00/83/1039200083.db2.gz CNSRREAHIKKBJV-UHFFFAOYSA-N 2 1 385.939 3.789 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H](O)c1ccc(F)cc1)CC2 ZINC001252842187 1039201511 /nfs/dbraw/zinc/20/15/11/1039201511.db2.gz PKTSUGKNMNWOAG-QFIPXVFZSA-N 2 1 383.511 3.631 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Cc3ccccc3F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252930600 1039265227 /nfs/dbraw/zinc/26/52/27/1039265227.db2.gz ZSQCZFYIGBVATH-XMMPIXPASA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Cc3ccccc3F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252930600 1039265231 /nfs/dbraw/zinc/26/52/31/1039265231.db2.gz ZSQCZFYIGBVATH-XMMPIXPASA-N 2 1 382.523 3.717 20 0 GHADMP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC001252928723 1039265510 /nfs/dbraw/zinc/26/55/10/1039265510.db2.gz BEFZGRRXIPLZGL-BJKOFHAPSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC001252928723 1039265514 /nfs/dbraw/zinc/26/55/14/1039265514.db2.gz BEFZGRRXIPLZGL-BJKOFHAPSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@@H]2CCC[NH+]2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001252928723 1039265517 /nfs/dbraw/zinc/26/55/17/1039265517.db2.gz BEFZGRRXIPLZGL-BJKOFHAPSA-N 2 1 380.532 3.859 20 0 GHADMP CCOc1ccc([C@@H]2CCC[NH+]2C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252928723 1039265522 /nfs/dbraw/zinc/26/55/22/1039265522.db2.gz BEFZGRRXIPLZGL-BJKOFHAPSA-N 2 1 380.532 3.859 20 0 GHADMP O[C@@]1(C[NH2+]CCc2cccc(Cl)c2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252943504 1039287268 /nfs/dbraw/zinc/28/72/68/1039287268.db2.gz KZLVBPDILCQYEM-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+]CCc2cccc(Cl)c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943504 1039287279 /nfs/dbraw/zinc/28/72/79/1039287279.db2.gz KZLVBPDILCQYEM-HXUWFJFHSA-N 2 1 379.331 3.763 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)sc1C ZINC001233676255 1039529163 /nfs/dbraw/zinc/52/91/63/1039529163.db2.gz ZCRBFWAXMDXWAY-UHFFFAOYSA-N 2 1 385.577 3.875 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001253830822 1039838005 /nfs/dbraw/zinc/83/80/05/1039838005.db2.gz RGAKBWKMWWCZES-ZCYQVOJMSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001253830822 1039838030 /nfs/dbraw/zinc/83/80/30/1039838030.db2.gz RGAKBWKMWWCZES-ZCYQVOJMSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001253830822 1039838056 /nfs/dbraw/zinc/83/80/56/1039838056.db2.gz RGAKBWKMWWCZES-ZCYQVOJMSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001253830822 1039838079 /nfs/dbraw/zinc/83/80/79/1039838079.db2.gz RGAKBWKMWWCZES-ZCYQVOJMSA-N 2 1 394.559 3.723 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001234299746 1039958315 /nfs/dbraw/zinc/95/83/15/1039958315.db2.gz YRWJROSWXPLUBV-UHFFFAOYSA-N 2 1 396.554 3.807 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001254186342 1040032854 /nfs/dbraw/zinc/03/28/54/1040032854.db2.gz LVJGLBOQXLROKB-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254209530 1040062751 /nfs/dbraw/zinc/06/27/51/1040062751.db2.gz NWOYREUFSPAFIK-LJQANCHMSA-N 2 1 388.556 3.738 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC001254391952 1040206906 /nfs/dbraw/zinc/20/69/06/1040206906.db2.gz PQDMJMBONHDSDK-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC001254391952 1040206915 /nfs/dbraw/zinc/20/69/15/1040206915.db2.gz PQDMJMBONHDSDK-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001254391952 1040206925 /nfs/dbraw/zinc/20/69/25/1040206925.db2.gz PQDMJMBONHDSDK-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001254391952 1040206936 /nfs/dbraw/zinc/20/69/36/1040206936.db2.gz PQDMJMBONHDSDK-OFNKIYASSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001254427350 1040225559 /nfs/dbraw/zinc/22/55/59/1040225559.db2.gz NMAGLAJQFWSUTO-VWRAKTAISA-N 2 1 386.584 3.555 20 0 GHADMP c1ccc2c(c1)CCC([NH+]1CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C1)CC2 ZINC001254460248 1040248953 /nfs/dbraw/zinc/24/89/53/1040248953.db2.gz ABFXUCKIHAJWCM-ILBGXUMGSA-N 2 1 391.559 3.552 20 0 GHADMP c1ccc2c(c1)CCC([N@H+]1CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C1)CC2 ZINC001254460248 1040248971 /nfs/dbraw/zinc/24/89/71/1040248971.db2.gz ABFXUCKIHAJWCM-ILBGXUMGSA-N 2 1 391.559 3.552 20 0 GHADMP c1ccc2c(c1)CCC([N@@H+]1CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C1)CC2 ZINC001254460248 1040248985 /nfs/dbraw/zinc/24/89/85/1040248985.db2.gz ABFXUCKIHAJWCM-ILBGXUMGSA-N 2 1 391.559 3.552 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]3CCC[N@H+](C)CC3)ccc12 ZINC001254510225 1040288914 /nfs/dbraw/zinc/28/89/14/1040288914.db2.gz UAFLSGHXFFCVFR-PXNSSMCTSA-N 2 1 399.535 3.529 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]3CCC[N@@H+](C)CC3)ccc12 ZINC001254510225 1040288933 /nfs/dbraw/zinc/28/89/33/1040288933.db2.gz UAFLSGHXFFCVFR-PXNSSMCTSA-N 2 1 399.535 3.529 20 0 GHADMP CC(C)CN1c2ccccc2C2(CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)CC1=O ZINC001254520935 1040295401 /nfs/dbraw/zinc/29/54/01/1040295401.db2.gz GQELQAUYEFAIIG-FQEVSTJZSA-N 2 1 383.580 3.897 20 0 GHADMP CCCCN(c1ccccc1)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234988718 1040485495 /nfs/dbraw/zinc/48/54/95/1040485495.db2.gz JZKFIYZXCQFLEX-DEOSSOPVSA-N 2 1 378.564 3.762 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235002897 1040496979 /nfs/dbraw/zinc/49/69/79/1040496979.db2.gz YJYWSNMWEXQINQ-XMMPIXPASA-N 2 1 394.515 3.628 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235002897 1040496993 /nfs/dbraw/zinc/49/69/93/1040496993.db2.gz YJYWSNMWEXQINQ-XMMPIXPASA-N 2 1 394.515 3.628 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C2)CC1 ZINC001254750538 1040512154 /nfs/dbraw/zinc/51/21/54/1040512154.db2.gz MPUXMVWLBHKVSS-LJQANCHMSA-N 2 1 391.600 3.974 20 0 GHADMP CN1CCC[C@@H]2C[N@H+]([C@@H]3CCC4(C3)CCN(C(=O)OC(C)(C)C)CC4)C[C@H]21 ZINC001254753301 1040516145 /nfs/dbraw/zinc/51/61/45/1040516145.db2.gz JFLFTCFTSGCYHC-GUDVDZBRSA-N 2 1 377.573 3.582 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254788411 1040547082 /nfs/dbraw/zinc/54/70/82/1040547082.db2.gz SEDWZJFPPBVEGY-SFHVURJKSA-N 2 1 379.589 3.878 20 0 GHADMP Cn1nc(C(F)(F)F)cc1-c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC001235094391 1040585276 /nfs/dbraw/zinc/58/52/76/1040585276.db2.gz ZIFBYKMANPFYRY-UHFFFAOYSA-N 2 1 384.471 3.743 20 0 GHADMP c1[nH]c2ccc(OCc3ccccc3)cc2c1C[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235117284 1040609021 /nfs/dbraw/zinc/60/90/21/1040609021.db2.gz ZVJGARAPAHKTII-XMMPIXPASA-N 2 1 391.515 3.701 20 0 GHADMP COc1c(Br)ccc(F)c1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235155732 1040648072 /nfs/dbraw/zinc/64/80/72/1040648072.db2.gz DYOGYZNPEBEQBW-KRWDZBQOSA-N 2 1 385.321 3.951 20 0 GHADMP Brc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1OCO2 ZINC001235158129 1040651879 /nfs/dbraw/zinc/65/18/79/1040651879.db2.gz UWEPKHGOHKGTIL-INIZCTEOSA-N 2 1 381.314 3.532 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001235166226 1040657680 /nfs/dbraw/zinc/65/76/80/1040657680.db2.gz PEEWLCHDQIMPQX-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001235166226 1040657693 /nfs/dbraw/zinc/65/76/93/1040657693.db2.gz PEEWLCHDQIMPQX-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001235166226 1040657701 /nfs/dbraw/zinc/65/77/01/1040657701.db2.gz PEEWLCHDQIMPQX-UNMCSNQZSA-N 2 1 386.584 3.605 20 0 GHADMP Cc1cc(C[N@@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235193947 1040683782 /nfs/dbraw/zinc/68/37/82/1040683782.db2.gz SVWGWBHBIUPTQV-XMMPIXPASA-N 2 1 398.522 3.690 20 0 GHADMP Cc1cc(C[N@H+]2CCCO[C@]3(C[NH2+]CCOC3)C2)cc(C)c1-c1ccc(F)cc1 ZINC001235193947 1040683792 /nfs/dbraw/zinc/68/37/92/1040683792.db2.gz SVWGWBHBIUPTQV-XMMPIXPASA-N 2 1 398.522 3.690 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC001235197690 1040687696 /nfs/dbraw/zinc/68/76/96/1040687696.db2.gz GYCFGTYWLJWZKF-HZPDHXFCSA-N 2 1 377.410 3.689 20 0 GHADMP FC(F)(F)Oc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC001235197690 1040687700 /nfs/dbraw/zinc/68/77/00/1040687700.db2.gz GYCFGTYWLJWZKF-HZPDHXFCSA-N 2 1 377.410 3.689 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254980627 1040705054 /nfs/dbraw/zinc/70/50/54/1040705054.db2.gz BJHCXUPKRSTWLX-ZCNNSNEGSA-N 2 1 379.589 3.827 20 0 GHADMP CC(C)Oc1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(Br)cn1 ZINC001235235766 1040715809 /nfs/dbraw/zinc/71/58/09/1040715809.db2.gz AQBBSYARNBRACH-GOSISDBHSA-N 2 1 396.373 3.985 20 0 GHADMP COc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(Br)c1O ZINC001235242120 1040723632 /nfs/dbraw/zinc/72/36/32/1040723632.db2.gz RIKRKCHQDADSSH-OAHLLOKOSA-N 2 1 383.330 3.517 20 0 GHADMP CCc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)n1 ZINC001235259592 1040742366 /nfs/dbraw/zinc/74/23/66/1040742366.db2.gz QWONQIOALJGKAA-FQEVSTJZSA-N 2 1 385.577 3.961 20 0 GHADMP C[C@@H](CO)C[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069310 1040762789 /nfs/dbraw/zinc/76/27/89/1040762789.db2.gz JMPCYTHWYDIDKI-HKTJVKLFSA-N 2 1 378.560 3.969 20 0 GHADMP CN(OCC[NH3+])[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255070407 1040764871 /nfs/dbraw/zinc/76/48/71/1040764871.db2.gz VGZDKYHYMUDZLN-RBZQAINGSA-N 2 1 379.548 3.574 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255101897 1040783346 /nfs/dbraw/zinc/78/33/46/1040783346.db2.gz ZFMINNSFAJRTFB-YKSBVNFPSA-N 2 1 391.515 3.521 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255101897 1040783359 /nfs/dbraw/zinc/78/33/59/1040783359.db2.gz ZFMINNSFAJRTFB-YKSBVNFPSA-N 2 1 391.515 3.521 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255101896 1040783930 /nfs/dbraw/zinc/78/39/30/1040783930.db2.gz ZFMINNSFAJRTFB-RDPSFJRHSA-N 2 1 391.515 3.521 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001255101896 1040783951 /nfs/dbraw/zinc/78/39/51/1040783951.db2.gz ZFMINNSFAJRTFB-RDPSFJRHSA-N 2 1 391.515 3.521 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](CC[C@@H](C)c1ccc(C)o1)C2 ZINC001235326310 1040795954 /nfs/dbraw/zinc/79/59/54/1040795954.db2.gz VXDUSCDIWVNBIR-DHJUGAMNSA-N 2 1 388.552 3.727 20 0 GHADMP c1ccc(C[NH+]2CC3(C2)CCCN([C@H]2CC[N@@H+](Cc4ccccc4)C2)C3)cc1 ZINC001255120788 1040809082 /nfs/dbraw/zinc/80/90/82/1040809082.db2.gz SCKXDGPRPDZUNM-DEOSSOPVSA-N 2 1 375.560 3.859 20 0 GHADMP C[N@@H+](Cc1ccccc1F)C1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC001255119981 1040810011 /nfs/dbraw/zinc/81/00/11/1040810011.db2.gz HMOZGXQSFDKQAS-QHCPKHFHSA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1ccccc1F)C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001255119981 1040810030 /nfs/dbraw/zinc/81/00/30/1040810030.db2.gz HMOZGXQSFDKQAS-QHCPKHFHSA-N 2 1 381.539 3.996 20 0 GHADMP C[NH+](Cc1ccccc1F)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001255119981 1040810040 /nfs/dbraw/zinc/81/00/40/1040810040.db2.gz HMOZGXQSFDKQAS-QHCPKHFHSA-N 2 1 381.539 3.996 20 0 GHADMP CN1C(=O)CCC12CCC([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255122026 1040813391 /nfs/dbraw/zinc/81/33/91/1040813391.db2.gz KCBSYJYIPLZEIH-DNZXKKCJSA-N 2 1 381.564 3.705 20 0 GHADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255122858 1040813466 /nfs/dbraw/zinc/81/34/66/1040813466.db2.gz WICNSYVOYRCGDX-SMCZBRLRSA-N 2 1 385.552 3.827 20 0 GHADMP O[C@@]1(C(F)(F)F)CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255135486 1040837376 /nfs/dbraw/zinc/83/73/76/1040837376.db2.gz CAIACSIDHKWPRU-NMLBUPMWSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@@]1(C(F)(F)F)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255135486 1040837384 /nfs/dbraw/zinc/83/73/84/1040837384.db2.gz CAIACSIDHKWPRU-NMLBUPMWSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@@]1(C(F)(F)F)CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135486 1040837392 /nfs/dbraw/zinc/83/73/92/1040837392.db2.gz CAIACSIDHKWPRU-NMLBUPMWSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255136418 1040838954 /nfs/dbraw/zinc/83/89/54/1040838954.db2.gz LACBTGFKUUWRFM-FUMNGEBKSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136418 1040838962 /nfs/dbraw/zinc/83/89/62/1040838962.db2.gz LACBTGFKUUWRFM-FUMNGEBKSA-N 2 1 382.470 3.961 20 0 GHADMP O[C@]1(C(F)(F)F)CCCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136418 1040838969 /nfs/dbraw/zinc/83/89/69/1040838969.db2.gz LACBTGFKUUWRFM-FUMNGEBKSA-N 2 1 382.470 3.961 20 0 GHADMP Brc1c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)ccc2ccccc21 ZINC001235366379 1040859269 /nfs/dbraw/zinc/85/92/69/1040859269.db2.gz DZMYJZPNOWVLMF-MBOZVWFJSA-N 2 1 387.321 3.555 20 0 GHADMP FC1(F)CC[NH+](C2CN([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)CC1 ZINC001255146023 1040861284 /nfs/dbraw/zinc/86/12/84/1040861284.db2.gz ZAWOEAJXSYKEFE-PMOLBWCYSA-N 2 1 375.507 3.597 20 0 GHADMP FC1(F)CC[NH+](C2CN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)CC1 ZINC001255146023 1040861293 /nfs/dbraw/zinc/86/12/93/1040861293.db2.gz ZAWOEAJXSYKEFE-PMOLBWCYSA-N 2 1 375.507 3.597 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)o1 ZINC001235367727 1040862957 /nfs/dbraw/zinc/86/29/57/1040862957.db2.gz JNHRGZNWFFWUJH-AKCHCHLHSA-N 2 1 392.421 3.918 20 0 GHADMP FC(F)(F)c1nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1CC[NH2+]C2 ZINC001255149377 1040865654 /nfs/dbraw/zinc/86/56/54/1040865654.db2.gz GXZVOEAAJHPLGB-BJWYYQGGSA-N 2 1 390.453 3.916 20 0 GHADMP Oc1cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC001235368241 1040865670 /nfs/dbraw/zinc/86/56/70/1040865670.db2.gz JFDFTGMNFUNUNW-GCJKJVERSA-N 2 1 388.458 3.747 20 0 GHADMP Oc1cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)ccc1OC(F)F ZINC001235368241 1040865716 /nfs/dbraw/zinc/86/57/16/1040865716.db2.gz JFDFTGMNFUNUNW-GCJKJVERSA-N 2 1 388.458 3.747 20 0 GHADMP Cc1cc(N2CCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc[nH+]1 ZINC001255150578 1040868991 /nfs/dbraw/zinc/86/89/91/1040868991.db2.gz NSLIRPQQJNCACN-BKFWDETESA-N 2 1 376.548 3.708 20 0 GHADMP CC(C)CC(=O)N1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255151235 1040870248 /nfs/dbraw/zinc/87/02/48/1040870248.db2.gz UNTQDKXQOJMUIA-NUNAXRQHSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)CC(=O)N1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255151235 1040870260 /nfs/dbraw/zinc/87/02/60/1040870260.db2.gz UNTQDKXQOJMUIA-NUNAXRQHSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)CC(=O)N1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255151235 1040870271 /nfs/dbraw/zinc/87/02/71/1040870271.db2.gz UNTQDKXQOJMUIA-NUNAXRQHSA-N 2 1 383.580 3.762 20 0 GHADMP CC(C)CC(=O)N1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255151235 1040870281 /nfs/dbraw/zinc/87/02/81/1040870281.db2.gz UNTQDKXQOJMUIA-NUNAXRQHSA-N 2 1 383.580 3.762 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150685 1040870748 /nfs/dbraw/zinc/87/07/48/1040870748.db2.gz OMIYOFNGFOLBQT-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150685 1040870759 /nfs/dbraw/zinc/87/07/59/1040870759.db2.gz OMIYOFNGFOLBQT-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150685 1040870770 /nfs/dbraw/zinc/87/07/70/1040870770.db2.gz OMIYOFNGFOLBQT-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@@H](Oc4ncccn4)C2)C3)cc1 ZINC001255150685 1040870781 /nfs/dbraw/zinc/87/07/81/1040870781.db2.gz OMIYOFNGFOLBQT-CIAFKFPVSA-N 2 1 378.520 3.515 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150927 1040872738 /nfs/dbraw/zinc/87/27/38/1040872738.db2.gz QCEDPETZIBBEBR-CIAFKFPVSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150927 1040872745 /nfs/dbraw/zinc/87/27/45/1040872745.db2.gz QCEDPETZIBBEBR-CIAFKFPVSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150927 1040872761 /nfs/dbraw/zinc/87/27/61/1040872761.db2.gz QCEDPETZIBBEBR-CIAFKFPVSA-N 2 1 393.531 3.739 20 0 GHADMP COc1cccnc1O[C@@H]1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150927 1040872783 /nfs/dbraw/zinc/87/27/83/1040872783.db2.gz QCEDPETZIBBEBR-CIAFKFPVSA-N 2 1 393.531 3.739 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ncn1 ZINC001255150638 1040873606 /nfs/dbraw/zinc/87/36/06/1040873606.db2.gz ODTYKKWRHHCCRQ-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)ncn1 ZINC001255150638 1040873619 /nfs/dbraw/zinc/87/36/19/1040873619.db2.gz ODTYKKWRHHCCRQ-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)ncn1 ZINC001255150638 1040873631 /nfs/dbraw/zinc/87/36/31/1040873631.db2.gz ODTYKKWRHHCCRQ-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)ncn1 ZINC001255150638 1040873640 /nfs/dbraw/zinc/87/36/40/1040873640.db2.gz ODTYKKWRHHCCRQ-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Ic1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235427857 1040928828 /nfs/dbraw/zinc/92/88/28/1040928828.db2.gz UDNKSDDUJMSEIF-HZPDHXFCSA-N 2 1 384.305 3.503 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OCCCOC ZINC001235431042 1040931118 /nfs/dbraw/zinc/93/11/18/1040931118.db2.gz UDHLHPOBJUEXPD-NHCUHLMSSA-N 2 1 390.568 3.712 20 0 GHADMP COc1c(C)cc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431199 1040932174 /nfs/dbraw/zinc/93/21/74/1040932174.db2.gz MQBNVSHHCRNTDR-HZPDHXFCSA-N 2 1 381.358 3.978 20 0 GHADMP Cn1nc2ccc(Br)cc2c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431066 1040932333 /nfs/dbraw/zinc/93/23/33/1040932333.db2.gz UHTQNKOQABMSLV-CABCVRRESA-N 2 1 391.357 3.547 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432701 1040933407 /nfs/dbraw/zinc/93/34/07/1040933407.db2.gz VGZBOYNMGALROQ-JKSUJKDBSA-N 2 1 396.373 3.843 20 0 GHADMP CC(C)Oc1ncc(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235432701 1040933408 /nfs/dbraw/zinc/93/34/08/1040933408.db2.gz VGZBOYNMGALROQ-JKSUJKDBSA-N 2 1 396.373 3.843 20 0 GHADMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1Br)CC1CC[NH2+]CC1 ZINC001235433381 1040934719 /nfs/dbraw/zinc/93/47/19/1040934719.db2.gz VWOCFTDJXYXWJE-UHFFFAOYSA-N 2 1 381.236 3.779 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255350044 1040955483 /nfs/dbraw/zinc/95/54/83/1040955483.db2.gz QIDIQFKFRSRYSS-WLRLJWMZSA-N 2 1 388.552 3.889 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001255380119 1040971121 /nfs/dbraw/zinc/97/11/21/1040971121.db2.gz QFQUUHDKSKRLQZ-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC001255380119 1040971125 /nfs/dbraw/zinc/97/11/25/1040971125.db2.gz QFQUUHDKSKRLQZ-GHTZIAJQSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001255388732 1040976797 /nfs/dbraw/zinc/97/67/97/1040976797.db2.gz GZEQMSGNBNTTEE-IFMALSPDSA-N 2 1 382.504 3.641 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC001255388732 1040976806 /nfs/dbraw/zinc/97/68/06/1040976806.db2.gz GZEQMSGNBNTTEE-IFMALSPDSA-N 2 1 382.504 3.641 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2cc4c(s2)C[NH2+]CC4)CCO3)c1 ZINC001235536271 1040979724 /nfs/dbraw/zinc/97/97/24/1040979724.db2.gz HVJRIYCRXKYZNW-HSZRJFAPSA-N 2 1 397.588 3.574 20 0 GHADMP Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cc4c(s2)C[NH2+]CC4)CCO3)c1 ZINC001235536271 1040979725 /nfs/dbraw/zinc/97/97/25/1040979725.db2.gz HVJRIYCRXKYZNW-HSZRJFAPSA-N 2 1 397.588 3.574 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC001255391719 1040979934 /nfs/dbraw/zinc/97/99/34/1040979934.db2.gz RYXIJCGDCKEDFD-XMMPIXPASA-N 3 1 392.591 3.938 20 0 GHADMP c1ccc(CN2CCC[C@@H]([NH2+]CC3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC001255391719 1040979941 /nfs/dbraw/zinc/97/99/41/1040979941.db2.gz RYXIJCGDCKEDFD-XMMPIXPASA-N 2 1 392.591 3.938 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391674 1040980087 /nfs/dbraw/zinc/98/00/87/1040980087.db2.gz BFVCYFLWTYFOKF-GGAORHGYSA-N 2 1 396.531 3.944 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC001255391674 1040980088 /nfs/dbraw/zinc/98/00/88/1040980088.db2.gz BFVCYFLWTYFOKF-GGAORHGYSA-N 2 1 396.531 3.944 20 0 GHADMP CC(C)(C)C(=O)CN1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391813 1040980867 /nfs/dbraw/zinc/98/08/67/1040980867.db2.gz UZTPOCSSTFTPMS-OAQYLSRUSA-N 2 1 385.596 3.710 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557197 1040985822 /nfs/dbraw/zinc/98/58/22/1040985822.db2.gz GEIGSGXQGWZQBZ-LHDHZVESSA-N 2 1 397.579 3.771 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557197 1040985831 /nfs/dbraw/zinc/98/58/31/1040985831.db2.gz GEIGSGXQGWZQBZ-LHDHZVESSA-N 2 1 397.579 3.771 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@@H]1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001235557197 1040985837 /nfs/dbraw/zinc/98/58/37/1040985837.db2.gz GEIGSGXQGWZQBZ-LHDHZVESSA-N 2 1 397.579 3.771 20 0 GHADMP CC[C@@H]1[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001255402304 1040989064 /nfs/dbraw/zinc/98/90/64/1040989064.db2.gz NASYQVQJNAJNRP-FIXSFTCYSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001255402304 1040989073 /nfs/dbraw/zinc/98/90/73/1040989073.db2.gz NASYQVQJNAJNRP-FIXSFTCYSA-N 2 1 383.580 3.907 20 0 GHADMP CC[C@@H]1[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001255402304 1040989078 /nfs/dbraw/zinc/98/90/78/1040989078.db2.gz NASYQVQJNAJNRP-FIXSFTCYSA-N 2 1 383.580 3.907 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCc4ncnc(C5CC5)c4CC3)CC2)cc1 ZINC001255402646 1040989657 /nfs/dbraw/zinc/98/96/57/1040989657.db2.gz KWZSQYPEWRDNKV-NRFANRHFSA-N 2 1 376.548 3.809 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3CCc4ncnc(C5CC5)c4CC3)CC2)cc1 ZINC001255402646 1040989658 /nfs/dbraw/zinc/98/96/58/1040989658.db2.gz KWZSQYPEWRDNKV-NRFANRHFSA-N 2 1 376.548 3.809 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CCc4ncnc(C5CC5)c4CC3)CC2)cc1 ZINC001255402646 1040989659 /nfs/dbraw/zinc/98/96/59/1040989659.db2.gz KWZSQYPEWRDNKV-NRFANRHFSA-N 2 1 376.548 3.809 20 0 GHADMP O=C([C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403364 1040990636 /nfs/dbraw/zinc/99/06/36/1040990636.db2.gz PBGKHTSMQBCNMV-DHIUTWEWSA-N 2 1 383.580 3.766 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403364 1040990637 /nfs/dbraw/zinc/99/06/37/1040990637.db2.gz PBGKHTSMQBCNMV-DHIUTWEWSA-N 2 1 383.580 3.766 20 0 GHADMP O=C([C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC001255403364 1040990638 /nfs/dbraw/zinc/99/06/38/1040990638.db2.gz PBGKHTSMQBCNMV-DHIUTWEWSA-N 2 1 383.580 3.766 20 0 GHADMP COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255404565 1040991598 /nfs/dbraw/zinc/99/15/98/1040991598.db2.gz KKHAZISTMAMWHN-HSZRJFAPSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)CC2 ZINC001255404565 1040991600 /nfs/dbraw/zinc/99/16/00/1040991600.db2.gz KKHAZISTMAMWHN-HSZRJFAPSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)C[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255404565 1040991601 /nfs/dbraw/zinc/99/16/01/1040991601.db2.gz KKHAZISTMAMWHN-HSZRJFAPSA-N 2 1 378.516 3.886 20 0 GHADMP COC(=O)c1ccc2c(c1)C[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255404565 1040991604 /nfs/dbraw/zinc/99/16/04/1040991604.db2.gz KKHAZISTMAMWHN-HSZRJFAPSA-N 2 1 378.516 3.886 20 0 GHADMP COc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001255409664 1040998551 /nfs/dbraw/zinc/99/85/51/1040998551.db2.gz KMZAXPDLQWLNEK-NRFANRHFSA-N 2 1 394.563 3.703 20 0 GHADMP COc1cc(O[C@@H]2CC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409878 1040999925 /nfs/dbraw/zinc/99/99/25/1040999925.db2.gz MLCAEJCPHLEAFA-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409878 1040999931 /nfs/dbraw/zinc/99/99/31/1040999931.db2.gz MLCAEJCPHLEAFA-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(O[C@@H]2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409878 1040999941 /nfs/dbraw/zinc/99/99/41/1040999941.db2.gz MLCAEJCPHLEAFA-IFMALSPDSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cccc(O[C@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001255410270 1041002419 /nfs/dbraw/zinc/00/24/19/1041002419.db2.gz SSGDMRJVAWFUOU-VXKWHMMOSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccc(O[C@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255410270 1041002451 /nfs/dbraw/zinc/00/24/51/1041002451.db2.gz SSGDMRJVAWFUOU-VXKWHMMOSA-N 2 1 395.547 3.988 20 0 GHADMP COc1cccc(O[C@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)n1 ZINC001255410270 1041002490 /nfs/dbraw/zinc/00/24/90/1041002490.db2.gz SSGDMRJVAWFUOU-VXKWHMMOSA-N 2 1 395.547 3.988 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659871 1041109535 /nfs/dbraw/zinc/10/95/35/1041109535.db2.gz BZVFULGLKIOQBM-TUACAJSNSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659871 1041109565 /nfs/dbraw/zinc/10/95/65/1041109565.db2.gz BZVFULGLKIOQBM-TUACAJSNSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@H]21 ZINC001235659871 1041109591 /nfs/dbraw/zinc/10/95/91/1041109591.db2.gz BZVFULGLKIOQBM-TUACAJSNSA-N 2 1 384.612 3.926 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660901 1041112867 /nfs/dbraw/zinc/11/28/67/1041112867.db2.gz IIWMAEXUGNDXRT-ZPMCFJSWSA-N 2 1 396.604 3.521 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660901 1041112888 /nfs/dbraw/zinc/11/28/88/1041112888.db2.gz IIWMAEXUGNDXRT-ZPMCFJSWSA-N 3 1 396.604 3.521 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660901 1041112902 /nfs/dbraw/zinc/11/29/02/1041112902.db2.gz IIWMAEXUGNDXRT-ZPMCFJSWSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660901 1041112925 /nfs/dbraw/zinc/11/29/25/1041112925.db2.gz IIWMAEXUGNDXRT-ZPMCFJSWSA-N 3 1 396.604 3.521 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C[C@H]21 ZINC001235660901 1041112934 /nfs/dbraw/zinc/11/29/34/1041112934.db2.gz IIWMAEXUGNDXRT-ZPMCFJSWSA-N 3 1 396.604 3.521 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC001235675316 1041135018 /nfs/dbraw/zinc/13/50/18/1041135018.db2.gz VONCWUHEHKRQHH-FQEVSTJZSA-N 2 1 392.934 3.725 20 0 GHADMP Clc1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH2+]CC3)C2)cc1 ZINC001235710517 1041191836 /nfs/dbraw/zinc/19/18/36/1041191836.db2.gz PVQDFJJJSMSUMJ-JOCHJYFZSA-N 2 1 399.966 3.931 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255661354 1041198792 /nfs/dbraw/zinc/19/87/92/1041198792.db2.gz AHFKZCKPNDXNCB-XIBWBMNSSA-N 2 1 379.589 3.875 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255693257 1041219853 /nfs/dbraw/zinc/21/98/53/1041219853.db2.gz IEHPJEAQEQZNRS-JKSUJKDBSA-N 2 1 395.510 3.934 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710927 1041235430 /nfs/dbraw/zinc/23/54/30/1041235430.db2.gz BJVFFZWBVWKFRY-YSTOQKLRSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710927 1041235445 /nfs/dbraw/zinc/23/54/45/1041235445.db2.gz BJVFFZWBVWKFRY-YSTOQKLRSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1 ZINC001255710927 1041235465 /nfs/dbraw/zinc/23/54/65/1041235465.db2.gz BJVFFZWBVWKFRY-YSTOQKLRSA-N 2 1 397.485 3.725 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(OC)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235762960 1041254486 /nfs/dbraw/zinc/25/44/86/1041254486.db2.gz XQYCAKWLDRWQQC-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP CC[N@@H+](Cc1cc(OC)c(OC)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001235762960 1041254502 /nfs/dbraw/zinc/25/45/02/1041254502.db2.gz XQYCAKWLDRWQQC-UHFFFAOYSA-N 2 1 384.520 3.857 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235791669 1041286022 /nfs/dbraw/zinc/28/60/22/1041286022.db2.gz SGAHBYYQVFCETA-JOCHJYFZSA-N 2 1 387.955 3.817 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCN[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235791669 1041286036 /nfs/dbraw/zinc/28/60/36/1041286036.db2.gz SGAHBYYQVFCETA-JOCHJYFZSA-N 2 1 387.955 3.817 20 0 GHADMP Cc1ccc(C[C@H](C)[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001255789396 1041295370 /nfs/dbraw/zinc/29/53/70/1041295370.db2.gz SAGSNAAHBPNPFD-IGABQKFOSA-N 2 1 380.580 3.996 20 0 GHADMP Cc1ccc(C[C@H](C)[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001255789396 1041295385 /nfs/dbraw/zinc/29/53/85/1041295385.db2.gz SAGSNAAHBPNPFD-IGABQKFOSA-N 2 1 380.580 3.996 20 0 GHADMP Cc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001255789396 1041295398 /nfs/dbraw/zinc/29/53/98/1041295398.db2.gz SAGSNAAHBPNPFD-IGABQKFOSA-N 2 1 380.580 3.996 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001278897525 1041423863 /nfs/dbraw/zinc/42/38/63/1041423863.db2.gz CTPNATPPCZPASE-UHFFFAOYSA-N 2 1 391.357 3.984 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)c(F)c3)C2)C1 ZINC001255960023 1041438466 /nfs/dbraw/zinc/43/84/66/1041438466.db2.gz CPOWPHSMDKQJHB-KKSFZXQISA-N 2 1 379.495 3.514 20 0 GHADMP COCCC[N@@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1)C1CC[NH2+]CC1 ZINC001235939683 1041446062 /nfs/dbraw/zinc/44/60/62/1041446062.db2.gz GMGDGGHPTAOALM-UHFFFAOYSA-N 2 1 396.531 3.731 20 0 GHADMP COCCC[N@@H+](Cc1c[nH]c2cc(F)c(Br)cc12)C1CC[NH2+]CC1 ZINC001235939984 1041446436 /nfs/dbraw/zinc/44/64/36/1041446436.db2.gz KYSRURUTOGXEPH-UHFFFAOYSA-N 2 1 398.320 3.660 20 0 GHADMP c1ccc2c(c1)C[N@H+](Cc1ccc(OC3CCOCC3)cc1)CC21CC[NH2+]CC1 ZINC001235973496 1041477688 /nfs/dbraw/zinc/47/76/88/1041477688.db2.gz LOYCUSKXROIHNV-UHFFFAOYSA-N 2 1 392.543 3.881 20 0 GHADMP COc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc2c1OCC=C2 ZINC001235980871 1041483783 /nfs/dbraw/zinc/48/37/83/1041483783.db2.gz SADFOKWALBLZTP-UHFFFAOYSA-N 2 1 376.500 3.738 20 0 GHADMP COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236099188 1041534599 /nfs/dbraw/zinc/53/45/99/1041534599.db2.gz XGEAVUXDAISHLA-XZOQPEGZSA-N 2 1 378.516 3.644 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](C)C1CCC([NH2+]C)CC1 ZINC001236216334 1041626368 /nfs/dbraw/zinc/62/63/68/1041626368.db2.gz ZCLMQZFVQFXZJN-UHFFFAOYSA-N 2 1 377.916 3.960 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236235559 1041636006 /nfs/dbraw/zinc/63/60/06/1041636006.db2.gz DOCSFPJUHPMHFS-WBAXXEDZSA-N 2 1 376.566 3.869 20 0 GHADMP COC(=O)c1cc2cc(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)ccc2[nH]1 ZINC001236305258 1041666171 /nfs/dbraw/zinc/66/61/71/1041666171.db2.gz SUARCJKIGLWDQY-UHFFFAOYSA-N 2 1 377.488 3.709 20 0 GHADMP C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304069 1041666300 /nfs/dbraw/zinc/66/63/00/1041666300.db2.gz GYPJJLXMKXISPN-CTNGQTDRSA-N 2 1 391.550 3.855 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304069 1041666308 /nfs/dbraw/zinc/66/63/08/1041666308.db2.gz GYPJJLXMKXISPN-CTNGQTDRSA-N 3 1 391.550 3.855 20 0 GHADMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001236304069 1041666315 /nfs/dbraw/zinc/66/63/15/1041666315.db2.gz GYPJJLXMKXISPN-CTNGQTDRSA-N 3 1 391.550 3.855 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc(OCc2ccccc2)c1OC ZINC001236320723 1041670327 /nfs/dbraw/zinc/67/03/27/1041670327.db2.gz CIERBSKDNDXNQO-OYRHEFFESA-N 2 1 396.531 3.714 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC([NH3+])(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001256236889 1041671242 /nfs/dbraw/zinc/67/12/42/1041671242.db2.gz YMMXTDHONUWXMQ-UHFFFAOYSA-N 2 1 399.457 3.576 20 0 GHADMP Fc1ccc(CN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236388131 1041694307 /nfs/dbraw/zinc/69/43/07/1041694307.db2.gz IMXJKXXRYAUZPX-UPVQGACJSA-N 2 1 381.539 3.902 20 0 GHADMP Fc1cccc(C[N@H+](CCOCCOCc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236401727 1041702804 /nfs/dbraw/zinc/70/28/04/1041702804.db2.gz SQGBVEXLNRPZRO-UHFFFAOYSA-N 2 1 386.511 3.613 20 0 GHADMP Fc1cccc(C[N@@H+](CCOCCOCc2ccccc2)C2CC[NH2+]CC2)c1 ZINC001236401727 1041702808 /nfs/dbraw/zinc/70/28/08/1041702808.db2.gz SQGBVEXLNRPZRO-UHFFFAOYSA-N 2 1 386.511 3.613 20 0 GHADMP CCOCC[N@H+](Cc1ccc(O)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001236466387 1041728457 /nfs/dbraw/zinc/72/84/57/1041728457.db2.gz XKICRTTZCPZZLW-UHFFFAOYSA-N 2 1 384.520 3.562 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(O)c(OCc2ccccc2)c1)C1CC[NH2+]CC1 ZINC001236466387 1041728462 /nfs/dbraw/zinc/72/84/62/1041728462.db2.gz XKICRTTZCPZZLW-UHFFFAOYSA-N 2 1 384.520 3.562 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3ncccc3c2)C2CC[NH2+]CC2)c1 ZINC001236466045 1041728556 /nfs/dbraw/zinc/72/85/56/1041728556.db2.gz WUAMAZDTMWQDGI-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3ncccc3c2)C2CC[NH2+]CC2)c1 ZINC001236466045 1041728560 /nfs/dbraw/zinc/72/85/60/1041728560.db2.gz WUAMAZDTMWQDGI-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499673 1041741051 /nfs/dbraw/zinc/74/10/51/1041741051.db2.gz OKJIJSOGZDKCMG-UHFFFAOYSA-N 2 1 397.510 3.824 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499673 1041741056 /nfs/dbraw/zinc/74/10/56/1041741056.db2.gz OKJIJSOGZDKCMG-UHFFFAOYSA-N 2 1 397.510 3.824 20 0 GHADMP Cc1ccc(F)cc1C[N@H+](C[C@H]1COC2(CCCCC2)O1)C1CC[NH2+]CC1 ZINC001236509733 1041746597 /nfs/dbraw/zinc/74/65/97/1041746597.db2.gz QMOIGUPWKOGJQQ-NRFANRHFSA-N 2 1 376.516 3.764 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](C[C@H]1COC2(CCCCC2)O1)C1CC[NH2+]CC1 ZINC001236509733 1041746607 /nfs/dbraw/zinc/74/66/07/1041746607.db2.gz QMOIGUPWKOGJQQ-NRFANRHFSA-N 2 1 376.516 3.764 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)Cc2ccccc2N2CCOCC2)CC1 ZINC001236536783 1041755577 /nfs/dbraw/zinc/75/55/77/1041755577.db2.gz HJXSVDZIJHDGLT-HZCBDIJESA-N 2 1 397.538 3.934 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cn3c(cccc3Br)n2)CC2CCC2)CC1 ZINC001236541800 1041756329 /nfs/dbraw/zinc/75/63/29/1041756329.db2.gz KNFCPGUAOQJTES-JCNLHEQBSA-N 2 1 391.357 3.969 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccncc2)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001236562396 1041764179 /nfs/dbraw/zinc/76/41/79/1041764179.db2.gz MISNBVCDSOLVAR-QAQDUYKDSA-N 2 1 375.419 3.675 20 0 GHADMP COC(=O)c1cc(Br)cc(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236572383 1041766612 /nfs/dbraw/zinc/76/66/12/1041766612.db2.gz MENMJQGTNZDEGE-SAABIXHNSA-N 2 1 395.341 3.860 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@H](N4CCC([NH3+])CC4)C3)cc2)cc1 ZINC001236621873 1041787791 /nfs/dbraw/zinc/78/77/91/1041787791.db2.gz KUDLPFFTZWSAPR-DEOSSOPVSA-N 2 1 378.564 3.760 20 0 GHADMP Cn1c2ccccc2c(C[N@H+]2CC[C@@H](N3CCC([NH3+])CC3)C2)c1-c1ccccc1 ZINC001236623854 1041789729 /nfs/dbraw/zinc/78/97/29/1041789729.db2.gz UVCQEHVCBALWKV-OAQYLSRUSA-N 2 1 388.559 3.843 20 0 GHADMP COC(=O)c1ccc(OC)c(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236681619 1041828421 /nfs/dbraw/zinc/82/84/21/1041828421.db2.gz HITJEQGOAOTNLD-MEMLXQNLSA-N 2 1 382.504 3.754 20 0 GHADMP COC(=O)COc1ccccc1C[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236689233 1041833424 /nfs/dbraw/zinc/83/34/24/1041833424.db2.gz DRLUPZPRZKEWOY-MEMLXQNLSA-N 2 1 382.504 3.511 20 0 GHADMP COC(=O)c1cccc2n[nH]c(C[N@@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001236694445 1041836743 /nfs/dbraw/zinc/83/67/43/1041836743.db2.gz OOIVSRDAUVXLMI-IYARVYRRSA-N 2 1 392.503 3.622 20 0 GHADMP COC(=O)c1cccc2[nH]nc(C[N@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001236694445 1041836748 /nfs/dbraw/zinc/83/67/48/1041836748.db2.gz OOIVSRDAUVXLMI-IYARVYRRSA-N 2 1 392.503 3.622 20 0 GHADMP COC(=O)c1cccc2[nH]nc(C[N@@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001236694445 1041836752 /nfs/dbraw/zinc/83/67/52/1041836752.db2.gz OOIVSRDAUVXLMI-IYARVYRRSA-N 2 1 392.503 3.622 20 0 GHADMP COC(=O)c1ccccc1C[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702055 1041842053 /nfs/dbraw/zinc/84/20/53/1041842053.db2.gz XSRKNQXIZVUPLE-MXVIHJGJSA-N 2 1 382.504 3.754 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC001236710127 1041847084 /nfs/dbraw/zinc/84/70/84/1041847084.db2.gz NRMMMUOPNIVUDI-QAQDUYKDSA-N 2 1 388.533 3.815 20 0 GHADMP COc1cc(O)cc(OC)c1C[N@@H+](Cc1cccc(C)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236729109 1041861162 /nfs/dbraw/zinc/86/11/62/1041861162.db2.gz MQERAKUMKLTRFL-WGSAOQKQSA-N 2 1 384.520 3.990 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1O ZINC001236742678 1041868995 /nfs/dbraw/zinc/86/89/95/1041868995.db2.gz SMBYTXYZAKVZHC-WGSAOQKQSA-N 2 1 386.467 3.590 20 0 GHADMP COc1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc(Br)c1O ZINC001236948414 1041967546 /nfs/dbraw/zinc/96/75/46/1041967546.db2.gz PUTRIBBIBALPDX-UHFFFAOYSA-N 2 1 397.357 3.765 20 0 GHADMP Fc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237088979 1042030320 /nfs/dbraw/zinc/03/03/20/1042030320.db2.gz ZQSLNJADSJQFEZ-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP Fc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237088979 1042030328 /nfs/dbraw/zinc/03/03/28/1042030328.db2.gz ZQSLNJADSJQFEZ-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP Fc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237088979 1042030335 /nfs/dbraw/zinc/03/03/35/1042030335.db2.gz ZQSLNJADSJQFEZ-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP Fc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1N1CCCC1 ZINC001237088979 1042030339 /nfs/dbraw/zinc/03/03/39/1042030339.db2.gz ZQSLNJADSJQFEZ-YADHBBJMSA-N 2 1 394.538 3.775 20 0 GHADMP Clc1ncc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)s1 ZINC001237392616 1042186433 /nfs/dbraw/zinc/18/64/33/1042186433.db2.gz OVBLGBQJUNXNGH-QAPCUYQASA-N 2 1 377.941 3.949 20 0 GHADMP Clc1ncc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)s1 ZINC001237392616 1042186436 /nfs/dbraw/zinc/18/64/36/1042186436.db2.gz OVBLGBQJUNXNGH-QAPCUYQASA-N 2 1 377.941 3.949 20 0 GHADMP Fc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cnc1Cl ZINC001237401765 1042192873 /nfs/dbraw/zinc/19/28/73/1042192873.db2.gz JLQJGPCHBQORNM-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(F)cc3)cc2)CCC12C[NH2+]C2 ZINC001237430287 1042205348 /nfs/dbraw/zinc/20/53/48/1042205348.db2.gz LODHHFJFNCUMFV-OAQYLSRUSA-N 2 1 398.478 3.593 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cccc(-c4ccccc4)c3C)CC[C@@H]2C1 ZINC001237582793 1042271920 /nfs/dbraw/zinc/27/19/20/1042271920.db2.gz JHIFRCWAXCEDIY-ILBGXUMGSA-N 2 1 394.559 3.831 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cccc(-c4ccccc4)c3C)CC[C@@H]2C1 ZINC001237582793 1042271925 /nfs/dbraw/zinc/27/19/25/1042271925.db2.gz JHIFRCWAXCEDIY-ILBGXUMGSA-N 2 1 394.559 3.831 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cccc(-c4ccccc4)c3C)CC[C@@H]2C1 ZINC001237582793 1042271928 /nfs/dbraw/zinc/27/19/28/1042271928.db2.gz JHIFRCWAXCEDIY-ILBGXUMGSA-N 2 1 394.559 3.831 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001237706926 1042334969 /nfs/dbraw/zinc/33/49/69/1042334969.db2.gz HEHFHFMPJPQFEJ-JOCHJYFZSA-N 2 1 395.547 3.654 20 0 GHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001237731132 1042343575 /nfs/dbraw/zinc/34/35/75/1042343575.db2.gz DVUFLQQVKPBQSX-VQTJNVASSA-N 2 1 394.401 3.783 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748985 1042352098 /nfs/dbraw/zinc/35/20/98/1042352098.db2.gz HSLWZTJDCHFQRD-AJSBUHFISA-N 2 1 377.532 3.749 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748985 1042352103 /nfs/dbraw/zinc/35/21/03/1042352103.db2.gz HSLWZTJDCHFQRD-AJSBUHFISA-N 2 1 377.532 3.749 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4c3OCC4)C[C@@H]21 ZINC001237748985 1042352109 /nfs/dbraw/zinc/35/21/09/1042352109.db2.gz HSLWZTJDCHFQRD-AJSBUHFISA-N 2 1 377.532 3.749 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@]4(C3)c3ccccc3N(C)C4=O)cc21 ZINC001237880167 1042407464 /nfs/dbraw/zinc/40/74/64/1042407464.db2.gz GENQPXQWLMWDPO-VWLOTQADSA-N 2 1 387.527 3.808 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccccc1C1CCOCC1)C2 ZINC001237902523 1042416860 /nfs/dbraw/zinc/41/68/60/1042416860.db2.gz ZEJKORUZCSHQIH-NOZRDPDXSA-N 2 1 398.591 3.761 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccccc1C1CCOCC1)C2 ZINC001237902523 1042416862 /nfs/dbraw/zinc/41/68/62/1042416862.db2.gz ZEJKORUZCSHQIH-NOZRDPDXSA-N 2 1 398.591 3.761 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccccc1C1CCOCC1)C2 ZINC001237902523 1042416866 /nfs/dbraw/zinc/41/68/66/1042416866.db2.gz ZEJKORUZCSHQIH-NOZRDPDXSA-N 2 1 398.591 3.761 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238107072 1042494261 /nfs/dbraw/zinc/49/42/61/1042494261.db2.gz NJLPKEBOJMLTGX-JOCHJYFZSA-N 2 1 384.524 3.947 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1 ZINC001238107072 1042494264 /nfs/dbraw/zinc/49/42/64/1042494264.db2.gz NJLPKEBOJMLTGX-JOCHJYFZSA-N 2 1 384.524 3.947 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(Br)c1 ZINC001238266033 1042536976 /nfs/dbraw/zinc/53/69/76/1042536976.db2.gz FUBWJLDCFJODLD-VQTJNVASSA-N 2 1 394.401 3.783 20 0 GHADMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](CCc3ccc(F)cc3Cl)C2)C1 ZINC001278238709 1042611538 /nfs/dbraw/zinc/61/15/38/1042611538.db2.gz PZGBDFSLUSIUND-NRFANRHFSA-N 2 1 381.967 3.761 20 0 GHADMP C[N@@H+](CCC[NH3+])CCCNC(=S)Nc1ccc(Cl)c(Cl)c1Cl ZINC001239375281 1042816015 /nfs/dbraw/zinc/81/60/15/1042816015.db2.gz DZCQMVMHTUOAMT-UHFFFAOYSA-N 2 1 383.776 3.604 20 0 GHADMP CC(C)O[C@H]1C[C@H](Nc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)C1(C)C ZINC001462670536 1070459972 /nfs/dbraw/zinc/45/99/72/1070459972.db2.gz YVBXDDWUPKSHTF-VXKWHMMOSA-N 2 1 382.552 3.991 20 0 GHADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)n1CC[NH+](C(C)C)C(C)C ZINC001291472287 1043286592 /nfs/dbraw/zinc/28/65/92/1043286592.db2.gz OGRKIGFELXMDLL-XUVXKRRUSA-N 2 1 392.636 3.829 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256530934 1043464445 /nfs/dbraw/zinc/46/44/45/1043464445.db2.gz QIBQGROOJSHTSQ-OFNKIYASSA-N 2 1 378.564 3.941 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256530934 1043464453 /nfs/dbraw/zinc/46/44/53/1043464453.db2.gz QIBQGROOJSHTSQ-OFNKIYASSA-N 2 1 378.564 3.941 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256533931 1043468894 /nfs/dbraw/zinc/46/88/94/1043468894.db2.gz OZCOTRDXFRYWDI-GBXCKJPGSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256533931 1043468902 /nfs/dbraw/zinc/46/89/02/1043468902.db2.gz OZCOTRDXFRYWDI-GBXCKJPGSA-N 2 1 393.575 3.999 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001256534541 1043470639 /nfs/dbraw/zinc/47/06/39/1043470639.db2.gz RXOBKBTVKOXPNL-UGKGYDQZSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC001256534541 1043470647 /nfs/dbraw/zinc/47/06/47/1043470647.db2.gz RXOBKBTVKOXPNL-UGKGYDQZSA-N 2 1 397.538 3.912 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256534845 1043472118 /nfs/dbraw/zinc/47/21/18/1043472118.db2.gz VMHXBYAKHWXQLB-GIVPXCGWSA-N 2 1 395.522 3.683 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256534845 1043472128 /nfs/dbraw/zinc/47/21/28/1043472128.db2.gz VMHXBYAKHWXQLB-GIVPXCGWSA-N 2 1 395.522 3.683 20 0 GHADMP COc1cccc(C2([NH3+])CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)c1 ZINC001256540734 1043489643 /nfs/dbraw/zinc/48/96/43/1043489643.db2.gz ZGWMMFQXLPREJX-OFNKIYASSA-N 2 1 393.575 3.998 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CO2 ZINC001256540766 1043490822 /nfs/dbraw/zinc/49/08/22/1043490822.db2.gz ZKHQNPQLKNORAS-DWLFOUALSA-N 2 1 380.532 3.889 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CO2 ZINC001256540766 1043490837 /nfs/dbraw/zinc/49/08/37/1043490837.db2.gz ZKHQNPQLKNORAS-DWLFOUALSA-N 2 1 380.532 3.889 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256545255 1043504475 /nfs/dbraw/zinc/50/44/75/1043504475.db2.gz RPPOYBZBHXTESA-YCDQRNBNSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256545255 1043504487 /nfs/dbraw/zinc/50/44/87/1043504487.db2.gz RPPOYBZBHXTESA-YCDQRNBNSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256545255 1043504499 /nfs/dbraw/zinc/50/44/99/1043504499.db2.gz RPPOYBZBHXTESA-YCDQRNBNSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256545255 1043504507 /nfs/dbraw/zinc/50/45/07/1043504507.db2.gz RPPOYBZBHXTESA-YCDQRNBNSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256547252 1043505696 /nfs/dbraw/zinc/50/56/96/1043505696.db2.gz RPPOYBZBHXTESA-VBVPVEISSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256547252 1043505709 /nfs/dbraw/zinc/50/57/09/1043505709.db2.gz RPPOYBZBHXTESA-VBVPVEISSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256547252 1043505725 /nfs/dbraw/zinc/50/57/25/1043505725.db2.gz RPPOYBZBHXTESA-VBVPVEISSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)O2)n1 ZINC001256547252 1043505736 /nfs/dbraw/zinc/50/57/36/1043505736.db2.gz RPPOYBZBHXTESA-VBVPVEISSA-N 2 1 396.535 3.726 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC001256546420 1043506458 /nfs/dbraw/zinc/50/64/58/1043506458.db2.gz LKDQDVXISQLMQE-OZROYSPXSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC001256546420 1043506471 /nfs/dbraw/zinc/50/64/71/1043506471.db2.gz LKDQDVXISQLMQE-OZROYSPXSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH+]1Cc1ccccc1 ZINC001256546420 1043506490 /nfs/dbraw/zinc/50/64/90/1043506490.db2.gz LKDQDVXISQLMQE-OZROYSPXSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH+]1Cc1ccccc1 ZINC001256546420 1043506506 /nfs/dbraw/zinc/50/65/06/1043506506.db2.gz LKDQDVXISQLMQE-OZROYSPXSA-N 2 1 395.572 3.981 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256547249 1043507967 /nfs/dbraw/zinc/50/79/67/1043507967.db2.gz RPPOYBZBHXTESA-CLMCDVRKSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[NH+]3[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256547249 1043507977 /nfs/dbraw/zinc/50/79/77/1043507977.db2.gz RPPOYBZBHXTESA-CLMCDVRKSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256547249 1043507984 /nfs/dbraw/zinc/50/79/84/1043507984.db2.gz RPPOYBZBHXTESA-CLMCDVRKSA-N 2 1 396.535 3.726 20 0 GHADMP Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)O2)n1 ZINC001256547249 1043507990 /nfs/dbraw/zinc/50/79/90/1043507990.db2.gz RPPOYBZBHXTESA-CLMCDVRKSA-N 2 1 396.535 3.726 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256548577 1043510322 /nfs/dbraw/zinc/51/03/22/1043510322.db2.gz BKCWVLYRMCDHFR-NZQKXSOJSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256548577 1043510339 /nfs/dbraw/zinc/51/03/39/1043510339.db2.gz BKCWVLYRMCDHFR-NZQKXSOJSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@H]1C[C@H](n2nc(C(F)(F)F)c3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC001256552939 1043518928 /nfs/dbraw/zinc/51/89/28/1043518928.db2.gz DIFTZPMBSVGZLQ-GOEBONIOSA-N 2 1 378.442 3.773 20 0 GHADMP C[C@@H]1C[C@H](N(c2ccc(F)cn2)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001256558021 1043529985 /nfs/dbraw/zinc/52/99/85/1043529985.db2.gz PTPNLIAXHBVSHC-XMSQKQJNSA-N 2 1 382.527 3.832 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001256595508 1043561509 /nfs/dbraw/zinc/56/15/09/1043561509.db2.gz DXBXXIVAGLGXMR-BAGYTPMASA-N 2 1 399.579 3.886 20 0 GHADMP O=C(c1ccccc1)N1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256600416 1043564216 /nfs/dbraw/zinc/56/42/16/1043564216.db2.gz GKCDXDMLJOGFGJ-UHFFFAOYSA-N 2 1 391.559 3.793 20 0 GHADMP Cc1ccc(C2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCOCC2)nc1 ZINC001256601858 1043565402 /nfs/dbraw/zinc/56/54/02/1043565402.db2.gz HZVKVIVFTRETBT-UHFFFAOYSA-N 2 1 379.548 3.692 20 0 GHADMP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001256604690 1043567345 /nfs/dbraw/zinc/56/73/45/1043567345.db2.gz PQRPGYLYDHRBPP-RPBOFIJWSA-N 2 1 393.575 3.530 20 0 GHADMP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)Cc2ccccc2Br)CC1 ZINC001256843887 1043695052 /nfs/dbraw/zinc/69/50/52/1043695052.db2.gz IVJHMIKTZZZWNP-GOSISDBHSA-N 2 1 396.417 3.730 20 0 GHADMP FC1(F)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856157 1043704404 /nfs/dbraw/zinc/70/44/04/1043704404.db2.gz FMAYLVSUYYPPIU-OAQYLSRUSA-N 2 1 386.490 3.550 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCN(c5cc[nH+]cc5)CC4)C[C@@H]3C2)cc1 ZINC001256864959 1043709145 /nfs/dbraw/zinc/70/91/45/1043709145.db2.gz OEGAVQVMGCMXBH-VXKWHMMOSA-N 3 1 376.548 3.504 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@@H]3C2)cc1 ZINC001256864959 1043709154 /nfs/dbraw/zinc/70/91/54/1043709154.db2.gz OEGAVQVMGCMXBH-VXKWHMMOSA-N 3 1 376.548 3.504 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@@H]3C2)cc1 ZINC001256864959 1043709165 /nfs/dbraw/zinc/70/91/65/1043709165.db2.gz OEGAVQVMGCMXBH-VXKWHMMOSA-N 3 1 376.548 3.504 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256906114 1043733168 /nfs/dbraw/zinc/73/31/68/1043733168.db2.gz WYEUNNUGFZAJHH-LFGUQSLTSA-N 2 1 377.573 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256906114 1043733182 /nfs/dbraw/zinc/73/31/82/1043733182.db2.gz WYEUNNUGFZAJHH-LFGUQSLTSA-N 2 1 377.573 3.914 20 0 GHADMP CC[C@@](N)(CO)[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256925780 1043754349 /nfs/dbraw/zinc/75/43/49/1043754349.db2.gz NSRROWYBECRTAP-VHYCJAOWSA-N 2 1 381.564 3.647 20 0 GHADMP C[C@H]1C(=O)NCC[N@H+]1C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001256928239 1043755881 /nfs/dbraw/zinc/75/58/81/1043755881.db2.gz ADQVWEZOEWUYHK-XOYNAWAESA-N 2 1 391.559 3.820 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001292799441 1043881273 /nfs/dbraw/zinc/88/12/73/1043881273.db2.gz IMLWMJQYPYFKRW-CRAIPNDOSA-N 2 1 387.490 3.935 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)N(c2[nH+]cccc2C)C2CC[NH2+]CC2)cc1 ZINC001257172051 1043915775 /nfs/dbraw/zinc/91/57/75/1043915775.db2.gz WBVFPCNMIXHSGR-GOSISDBHSA-N 2 1 381.520 3.756 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CCC)CC1 ZINC001293041480 1043996393 /nfs/dbraw/zinc/99/63/93/1043996393.db2.gz QANBNWXFGAUJRR-FYYLOGMGSA-N 2 1 385.596 3.915 20 0 GHADMP C[NH+](C)[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001293053228 1044003185 /nfs/dbraw/zinc/00/31/85/1044003185.db2.gz OTXXZHSJWHIGPG-JOCHJYFZSA-N 2 1 379.548 3.802 20 0 GHADMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813938 1044194892 /nfs/dbraw/zinc/19/48/92/1044194892.db2.gz CNQMEGUKTGFYNA-COPCDDAFSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813938 1044194897 /nfs/dbraw/zinc/19/48/97/1044194897.db2.gz CNQMEGUKTGFYNA-COPCDDAFSA-N 2 1 377.573 3.584 20 0 GHADMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCC[C@]4(CCN(C(=O)OC(C)(C)C)C4)C3)C2)C1 ZINC001257813938 1044194903 /nfs/dbraw/zinc/19/49/03/1044194903.db2.gz CNQMEGUKTGFYNA-COPCDDAFSA-N 2 1 377.573 3.584 20 0 GHADMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)C1 ZINC001257988681 1044317724 /nfs/dbraw/zinc/31/77/24/1044317724.db2.gz MJGBGPJDIHEEDX-PCCBWWKXSA-N 2 1 387.568 3.539 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@@H]3F)CC1 ZINC001258013222 1044338680 /nfs/dbraw/zinc/33/86/80/1044338680.db2.gz NDNMVBPTBPUXFK-SIKLNZKXSA-N 2 1 397.579 3.778 20 0 GHADMP CCOC(=O)CC1CCC(N[C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001258023394 1044349567 /nfs/dbraw/zinc/34/95/67/1044349567.db2.gz VRISQXDRANAJBB-IMRCBTMISA-N 2 1 383.330 3.551 20 0 GHADMP CCOC(=O)CCC[C@@H](C)[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001258120739 1044407345 /nfs/dbraw/zinc/40/73/45/1044407345.db2.gz GFFOBQMSTBXXST-LJQANCHMSA-N 2 1 387.568 3.880 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@H]2[C@H](C[C@@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258134970 1044419257 /nfs/dbraw/zinc/41/92/57/1044419257.db2.gz BLSNUDYRUPFBSR-HJNYFJLDSA-N 2 1 399.579 3.539 20 0 GHADMP CC[C@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001258136927 1044422331 /nfs/dbraw/zinc/42/23/31/1044422331.db2.gz ZLUIVFADKSSDAK-HXUWFJFHSA-N 2 1 389.584 3.977 20 0 GHADMP c1ccc(CC[NH+]2CCC([NH+]3CCC(COCC[NH+]4CCCC4)CC3)CC2)cc1 ZINC001258140706 1044425637 /nfs/dbraw/zinc/42/56/37/1044425637.db2.gz DLDMDMUADRKUHV-UHFFFAOYSA-N 3 1 399.623 3.518 20 0 GHADMP COc1ccccc1C[NH+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258145761 1044432492 /nfs/dbraw/zinc/43/24/92/1044432492.db2.gz KRBKSEAIXQWTPP-UHFFFAOYSA-N 2 1 393.575 3.520 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)nc1 ZINC001258150107 1044441757 /nfs/dbraw/zinc/44/17/57/1044441757.db2.gz YCXJIRKSKPQOKT-HSZRJFAPSA-N 2 1 395.547 3.641 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)nc1 ZINC001258150107 1044441761 /nfs/dbraw/zinc/44/17/61/1044441761.db2.gz YCXJIRKSKPQOKT-HSZRJFAPSA-N 2 1 395.547 3.641 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[NH+](C)CCc3ccccc3)cc2)C1 ZINC001294217491 1044529487 /nfs/dbraw/zinc/52/94/87/1044529487.db2.gz AKCSLEJRSIWNKN-FQEVSTJZSA-N 2 1 395.547 3.520 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(CC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001294304694 1044577265 /nfs/dbraw/zinc/57/72/65/1044577265.db2.gz PECVHJUBGJWQHO-XXBNENTESA-N 2 1 379.548 3.574 20 0 GHADMP COc1ccccc1C1([NH3+])CC[NH+](C2CCC3(CC2)OCC(C)(C)CO3)CC1 ZINC001258521587 1044599014 /nfs/dbraw/zinc/59/90/14/1044599014.db2.gz VKCATMQGWVQXGF-UHFFFAOYSA-N 2 1 388.552 3.657 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258578065 1044652984 /nfs/dbraw/zinc/65/29/84/1044652984.db2.gz MCXDPPJEXOFYIS-REWPJTCUSA-N 2 1 379.548 3.665 20 0 GHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)c2)CC1 ZINC001296011874 1045220861 /nfs/dbraw/zinc/22/08/61/1045220861.db2.gz AJCKQJBUYXFYGE-QHCPKHFHSA-N 2 1 398.595 3.953 20 0 GHADMP COc1cc2[nH+]ccc(N3CCC[N@@H+]4CCC[C@@H]4C3)c2cc1Br ZINC001261439185 1045998602 /nfs/dbraw/zinc/99/86/02/1045998602.db2.gz DALDVEOXBFLUIS-CYBMUJFWSA-N 2 1 376.298 3.680 20 0 GHADMP COc1cc2[nH+]ccc(N3CCC[N@H+]4CCC[C@@H]4C3)c2cc1Br ZINC001261439185 1045998605 /nfs/dbraw/zinc/99/86/05/1045998605.db2.gz DALDVEOXBFLUIS-CYBMUJFWSA-N 2 1 376.298 3.680 20 0 GHADMP C[C@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[C@@H]([NH3+])c1ccccc1 ZINC001261502747 1046011084 /nfs/dbraw/zinc/01/10/84/1046011084.db2.gz XDSWUOYZDRWXPU-KSFYIVLOSA-N 2 1 391.519 3.823 20 0 GHADMP Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cs1 ZINC001261503116 1046012745 /nfs/dbraw/zinc/01/27/45/1046012745.db2.gz MJRPQRUCIMNNDX-UHFFFAOYSA-N 2 1 398.576 3.598 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC001261735884 1046068342 /nfs/dbraw/zinc/06/83/42/1046068342.db2.gz UMWDJYCRSMDYAG-XPWALMASSA-N 2 1 395.522 3.567 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC001261735884 1046068353 /nfs/dbraw/zinc/06/83/53/1046068353.db2.gz UMWDJYCRSMDYAG-XPWALMASSA-N 2 1 395.522 3.567 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cnc(NC(=O)OC(C)(C)C)s3)C[C@H]2C1 ZINC001262378682 1046254666 /nfs/dbraw/zinc/25/46/66/1046254666.db2.gz IKQHUFDJZYLFCR-RRFJBIMHSA-N 2 1 380.558 3.652 20 0 GHADMP CC[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000576943419 1046267588 /nfs/dbraw/zinc/26/75/88/1046267588.db2.gz GYAPOLNFPHLONH-JOCHJYFZSA-N 2 1 379.548 3.746 20 0 GHADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001301380642 1046517177 /nfs/dbraw/zinc/51/71/77/1046517177.db2.gz ZZTKVJNKEWHMDM-DHIUTWEWSA-N 2 1 397.538 3.627 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001301380642 1046517197 /nfs/dbraw/zinc/51/71/97/1046517197.db2.gz ZZTKVJNKEWHMDM-DHIUTWEWSA-N 2 1 397.538 3.627 20 0 GHADMP CC(C)(C(=O)Nc1ccc2nc(C3CC[NH2+]CC3)[nH]c2c1)[C@@H]([NH3+])c1ccccc1 ZINC001263186625 1046626922 /nfs/dbraw/zinc/62/69/22/1046626922.db2.gz JMZDVTIHKCNWDP-FQEVSTJZSA-N 2 1 391.519 3.695 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC001279262339 1047751258 /nfs/dbraw/zinc/75/12/58/1047751258.db2.gz DCHHOANYZBFZIF-NZGUISNBSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC001279262339 1047751261 /nfs/dbraw/zinc/75/12/61/1047751261.db2.gz DCHHOANYZBFZIF-NZGUISNBSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC001279262339 1047751264 /nfs/dbraw/zinc/75/12/64/1047751264.db2.gz DCHHOANYZBFZIF-NZGUISNBSA-N 2 1 377.598 3.943 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC001279262339 1047751271 /nfs/dbraw/zinc/75/12/71/1047751271.db2.gz DCHHOANYZBFZIF-NZGUISNBSA-N 2 1 377.598 3.943 20 0 GHADMP COc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1Br ZINC001279311742 1047763105 /nfs/dbraw/zinc/76/31/05/1047763105.db2.gz CDQVVPZXZFOJQU-OKILXGFUSA-N 2 1 387.749 3.885 20 0 GHADMP COc1c(Cl)cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1Br ZINC001279311742 1047763110 /nfs/dbraw/zinc/76/31/10/1047763110.db2.gz CDQVVPZXZFOJQU-OKILXGFUSA-N 2 1 387.749 3.885 20 0 GHADMP COc1c(Cl)cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc1Br ZINC001279311742 1047763117 /nfs/dbraw/zinc/76/31/17/1047763117.db2.gz CDQVVPZXZFOJQU-OKILXGFUSA-N 2 1 387.749 3.885 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001279498795 1047825012 /nfs/dbraw/zinc/82/50/12/1047825012.db2.gz ONOCTVXFSBCGNT-UHFFFAOYSA-N 3 1 375.523 3.849 20 0 GHADMP FC(F)(F)CCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cncc(Cl)n3)(C1)CCC2 ZINC001279508650 1047829105 /nfs/dbraw/zinc/82/91/05/1047829105.db2.gz KSQRQRSWVVGXSE-JKSUJKDBSA-N 2 1 376.854 3.997 20 0 GHADMP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc(N(C)C(=O)OC(C)(C)C)s3)(C1)CCC2 ZINC001279539587 1047836002 /nfs/dbraw/zinc/83/60/02/1047836002.db2.gz OQABHTAQVSDDGX-RBUKOAKNSA-N 2 1 380.558 3.669 20 0 GHADMP Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279636133 1047880518 /nfs/dbraw/zinc/88/05/18/1047880518.db2.gz CSSHOFZTMVYMBP-UHFFFAOYSA-N 2 1 394.350 3.908 20 0 GHADMP COCCOC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(F)c(C)c3Cl)(C1)CCC2 ZINC001279656615 1047898055 /nfs/dbraw/zinc/89/80/55/1047898055.db2.gz NAQVQKAGTVLTPQ-UXHICEINSA-N 2 1 384.923 3.933 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)nc3F)C[C@H]2CC1 ZINC001279669904 1047907764 /nfs/dbraw/zinc/90/77/64/1047907764.db2.gz WRODVVNGPQMSSN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)nc3F)C[C@H]2CC1 ZINC001279669904 1047907768 /nfs/dbraw/zinc/90/77/68/1047907768.db2.gz WRODVVNGPQMSSN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3F)C[C@H]2CC1 ZINC001279669904 1047907777 /nfs/dbraw/zinc/90/77/77/1047907777.db2.gz WRODVVNGPQMSSN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)nc3F)C[C@H]2CC1 ZINC001279669904 1047907778 /nfs/dbraw/zinc/90/77/78/1047907778.db2.gz WRODVVNGPQMSSN-GASCZTMLSA-N 2 1 394.947 3.983 20 0 GHADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c2cc(Br)ccc21 ZINC001279693354 1047918611 /nfs/dbraw/zinc/91/86/11/1047918611.db2.gz HKBXXVFUNBWOCW-UHFFFAOYSA-N 2 1 376.342 3.859 20 0 GHADMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](Cc2cc(Cl)cnc2Cl)CC3)n(C)n1 ZINC001279707881 1047926755 /nfs/dbraw/zinc/92/67/55/1047926755.db2.gz IJQGXCQBMRAUAJ-UHFFFAOYSA-N 2 1 394.350 3.528 20 0 GHADMP CC[C@H](C)c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001305449487 1048061633 /nfs/dbraw/zinc/06/16/33/1048061633.db2.gz KPLZBHIBJTUMTO-RBUKOAKNSA-N 2 1 390.620 3.587 20 0 GHADMP CC1(C)Cc2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)sc2C(C)(C)C1 ZINC001307416502 1049257215 /nfs/dbraw/zinc/25/72/15/1049257215.db2.gz IVBNHXCVJFWVSU-UHFFFAOYSA-N 2 1 391.625 3.937 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CC[C@H](c3ccccc3)O2)CC1)Cc1ccccc1 ZINC001307459217 1049296720 /nfs/dbraw/zinc/29/67/20/1049296720.db2.gz QJNSGPAVEOSFNH-LOSJGSFVSA-N 2 1 393.575 3.656 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC001307615341 1049451498 /nfs/dbraw/zinc/45/14/98/1049451498.db2.gz IJFMKKDXIRECOB-YADHBBJMSA-N 2 1 393.575 3.811 20 0 GHADMP O[C@@]1(c2ccc(Br)cc2)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001308128311 1049872675 /nfs/dbraw/zinc/87/26/75/1049872675.db2.gz HXURKQRQWGADNV-IBGZPJMESA-N 2 1 381.358 3.609 20 0 GHADMP O[C@@]1(c2ccc(Br)cc2)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001308128311 1049872682 /nfs/dbraw/zinc/87/26/82/1049872682.db2.gz HXURKQRQWGADNV-IBGZPJMESA-N 2 1 381.358 3.609 20 0 GHADMP Cn1c(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc2ccccc21 ZINC001308196043 1049908230 /nfs/dbraw/zinc/90/82/30/1049908230.db2.gz AHSGPTXPSGIKDE-XMMPIXPASA-N 2 1 376.548 3.647 20 0 GHADMP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC001308197395 1049909235 /nfs/dbraw/zinc/90/92/35/1049909235.db2.gz PZVGOXLFEFIXFP-KDURUIRLSA-N 2 1 396.531 3.681 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)cc1I ZINC001308205012 1049911867 /nfs/dbraw/zinc/91/18/67/1049911867.db2.gz LVKZBVHRGHLAHT-SJORKVTESA-N 2 1 384.305 3.624 20 0 GHADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)cc1I ZINC001308205012 1049911871 /nfs/dbraw/zinc/91/18/71/1049911871.db2.gz LVKZBVHRGHLAHT-SJORKVTESA-N 2 1 384.305 3.624 20 0 GHADMP CN(C)C(=O)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C2CCCCC2)[nH]1 ZINC001308219002 1049916879 /nfs/dbraw/zinc/91/68/79/1049916879.db2.gz RZCBWWFTZJGOOS-UHFFFAOYSA-N 2 1 382.552 3.771 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC001308270374 1049932705 /nfs/dbraw/zinc/93/27/05/1049932705.db2.gz UVDSUYISPIHOJC-KSSFIOAISA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC001308270374 1049932707 /nfs/dbraw/zinc/93/27/07/1049932707.db2.gz UVDSUYISPIHOJC-KSSFIOAISA-N 2 1 387.337 3.815 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001308338615 1049952858 /nfs/dbraw/zinc/95/28/58/1049952858.db2.gz AGYPDXZGSCBEJO-INIZCTEOSA-N 2 1 397.510 3.527 20 0 GHADMP C[N@@H+](Cc1cc2nc(Cl)ccc2s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001308742696 1050078252 /nfs/dbraw/zinc/07/82/52/1050078252.db2.gz LNGLAHMFRLJBSA-OAHLLOKOSA-N 2 1 378.973 3.550 20 0 GHADMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)NCc1cccs1 ZINC001308834528 1050114156 /nfs/dbraw/zinc/11/41/56/1050114156.db2.gz FYZXQMXSWXQRPW-IIZPIQPGSA-N 2 1 397.588 3.786 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC3(CC2)COCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC001308915224 1050164054 /nfs/dbraw/zinc/16/40/54/1050164054.db2.gz KJCYFWAXFGPEMN-QHCPKHFHSA-N 2 1 386.580 3.806 20 0 GHADMP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc2ccccc21 ZINC001327946868 1050333617 /nfs/dbraw/zinc/33/36/17/1050333617.db2.gz WNFGNPDSLZZHKS-UHFFFAOYSA-N 2 1 389.543 3.886 20 0 GHADMP CN(C)c1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC001311078194 1051833006 /nfs/dbraw/zinc/83/30/06/1051833006.db2.gz DGNZGJKJTLZIJL-FPOVZHCZSA-N 2 1 393.535 3.666 20 0 GHADMP CN(C)c1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC001311078194 1051833017 /nfs/dbraw/zinc/83/30/17/1051833017.db2.gz DGNZGJKJTLZIJL-FPOVZHCZSA-N 2 1 393.535 3.666 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001311347292 1052044031 /nfs/dbraw/zinc/04/40/31/1052044031.db2.gz HLZFRKWKHNOSBR-JOCHJYFZSA-N 2 1 386.584 3.603 20 0 GHADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001311358072 1052055923 /nfs/dbraw/zinc/05/59/23/1052055923.db2.gz KCGLWLZEGVAQIS-PMACEKPBSA-N 2 1 388.600 3.694 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001311384503 1052077233 /nfs/dbraw/zinc/07/72/33/1052077233.db2.gz NHCOKVCFKJLKPV-FXAWDEMLSA-N 2 1 394.579 3.874 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001311384503 1052077245 /nfs/dbraw/zinc/07/72/45/1052077245.db2.gz NHCOKVCFKJLKPV-FXAWDEMLSA-N 2 1 394.579 3.874 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C(C)(C)C)C3)cc2)C1 ZINC001311498563 1052203963 /nfs/dbraw/zinc/20/39/63/1052203963.db2.gz QUJJMDBXBLKTRJ-NQIIRXRSSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2)C1 ZINC001311498563 1052203966 /nfs/dbraw/zinc/20/39/66/1052203966.db2.gz QUJJMDBXBLKTRJ-NQIIRXRSSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C(C)(C)C)C3)cc2)C1 ZINC001311498563 1052203970 /nfs/dbraw/zinc/20/39/70/1052203970.db2.gz QUJJMDBXBLKTRJ-NQIIRXRSSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC001311551129 1052239385 /nfs/dbraw/zinc/23/93/85/1052239385.db2.gz OBICSKQUMUKPMY-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001336228731 1052241554 /nfs/dbraw/zinc/24/15/54/1052241554.db2.gz MTKZWQBKULVNRT-FCHUYYIVSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001311673292 1052320361 /nfs/dbraw/zinc/32/03/61/1052320361.db2.gz OHCCAQNMQZWTLK-QHAWAJNXSA-N 2 1 392.632 3.650 20 0 GHADMP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001311922148 1052477891 /nfs/dbraw/zinc/47/78/91/1052477891.db2.gz VVDCPIRXHHZPQR-DENIHFKCSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001311922148 1052477897 /nfs/dbraw/zinc/47/78/97/1052477897.db2.gz VVDCPIRXHHZPQR-DENIHFKCSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001311922148 1052477901 /nfs/dbraw/zinc/47/79/01/1052477901.db2.gz VVDCPIRXHHZPQR-DENIHFKCSA-N 2 1 386.584 3.728 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCCC1)c1ccccc1 ZINC001311993593 1052519257 /nfs/dbraw/zinc/51/92/57/1052519257.db2.gz KKETZDGMXLRSEB-NNWRFLSQSA-N 2 1 398.595 3.966 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001312119444 1052583194 /nfs/dbraw/zinc/58/31/94/1052583194.db2.gz NFZLVZGFMCWWRA-NJKFVAIMSA-N 2 1 386.584 3.552 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001312142078 1052595586 /nfs/dbraw/zinc/59/55/86/1052595586.db2.gz YFRLHUDJGSAGFU-HXUWFJFHSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001312167653 1052612762 /nfs/dbraw/zinc/61/27/62/1052612762.db2.gz BJSUDOKSSQLGJB-RDABAPPSSA-N 2 1 398.595 3.872 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)C1CC1 ZINC001312557379 1052789594 /nfs/dbraw/zinc/78/95/94/1052789594.db2.gz APPHPIRNGROFQA-GOTSBHOMSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC001312557379 1052789600 /nfs/dbraw/zinc/78/96/00/1052789600.db2.gz APPHPIRNGROFQA-GOTSBHOMSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC001312557379 1052789604 /nfs/dbraw/zinc/78/96/04/1052789604.db2.gz APPHPIRNGROFQA-GOTSBHOMSA-N 2 1 398.595 3.603 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC001318083571 1054393261 /nfs/dbraw/zinc/39/32/61/1054393261.db2.gz CCUKTOLKVYKJDE-SFTDATJTSA-N 2 1 387.568 3.603 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC001318533014 1054703217 /nfs/dbraw/zinc/70/32/17/1054703217.db2.gz BBVNBCIJFWUSIM-HSZRJFAPSA-N 2 1 395.547 3.929 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H](C)C1 ZINC001319211338 1055098178 /nfs/dbraw/zinc/09/81/78/1055098178.db2.gz MBTPBFPARJJEFL-PGRDOPGGSA-N 2 1 377.548 3.521 20 0 GHADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319393524 1055224509 /nfs/dbraw/zinc/22/45/09/1055224509.db2.gz LWPOYQJFYNIXJS-KOSHJBKYSA-N 2 1 381.539 3.986 20 0 GHADMP C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001319959013 1055563588 /nfs/dbraw/zinc/56/35/88/1055563588.db2.gz BNXHFXFPPCKOBR-XBYSBRQOSA-N 2 1 383.580 3.525 20 0 GHADMP Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(C[NH+]3CCCC3)cc2)[nH+]1 ZINC001321289454 1056210701 /nfs/dbraw/zinc/21/07/01/1056210701.db2.gz XTEZSRZNJLDDKM-OAQYLSRUSA-N 2 1 378.520 3.703 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)c1ccc(Cl)cc1 ZINC001322056237 1056494599 /nfs/dbraw/zinc/49/45/99/1056494599.db2.gz ABIRXGFTIHZAPE-HXUWFJFHSA-N 2 1 397.910 3.734 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC001323066592 1056916963 /nfs/dbraw/zinc/91/69/63/1056916963.db2.gz ORSIMZQAOZMAHB-DHIUTWEWSA-N 2 1 383.580 3.826 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC001355311660 1057115592 /nfs/dbraw/zinc/11/55/92/1057115592.db2.gz UJRFWQXFIKAWJM-URXFXBBRSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC001355311660 1057115597 /nfs/dbraw/zinc/11/55/97/1057115597.db2.gz UJRFWQXFIKAWJM-URXFXBBRSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@@H](CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC001355311660 1057115602 /nfs/dbraw/zinc/11/56/02/1057115602.db2.gz UJRFWQXFIKAWJM-URXFXBBRSA-N 2 1 393.575 3.925 20 0 GHADMP FC(F)CN1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001324703799 1057207522 /nfs/dbraw/zinc/20/75/22/1057207522.db2.gz BPLMSETVHSBXPF-CEWLAPEOSA-N 2 1 377.523 3.606 20 0 GHADMP CCC1([NH+](C)C)CCN(c2nnc([C@@H]3CCCC[N@H+]3C3CCCC3)n2C)CC1 ZINC001355723684 1057260332 /nfs/dbraw/zinc/26/03/32/1057260332.db2.gz DHLBSOOMZGFFEZ-IBGZPJMESA-N 2 1 388.604 3.595 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC001325764829 1057360492 /nfs/dbraw/zinc/36/04/92/1057360492.db2.gz SNTISMNBJBTYIH-UHFFFAOYSA-N 2 1 379.548 3.667 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC001325764829 1057360497 /nfs/dbraw/zinc/36/04/97/1057360497.db2.gz SNTISMNBJBTYIH-UHFFFAOYSA-N 2 1 379.548 3.667 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)o1 ZINC000848893099 1057402070 /nfs/dbraw/zinc/40/20/70/1057402070.db2.gz PKDGNJGJFXQEJQ-IENJSVCTSA-N 2 1 382.504 3.988 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000848893099 1057402075 /nfs/dbraw/zinc/40/20/75/1057402075.db2.gz PKDGNJGJFXQEJQ-IENJSVCTSA-N 2 1 382.504 3.988 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)o1 ZINC000848893098 1057402441 /nfs/dbraw/zinc/40/24/41/1057402441.db2.gz PKDGNJGJFXQEJQ-DXRVJIQQSA-N 2 1 382.504 3.988 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)o1 ZINC000848893098 1057402449 /nfs/dbraw/zinc/40/24/49/1057402449.db2.gz PKDGNJGJFXQEJQ-DXRVJIQQSA-N 2 1 382.504 3.988 20 0 GHADMP COc1ccc(OCc2nc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)cc1 ZINC001326202820 1057432348 /nfs/dbraw/zinc/43/23/48/1057432348.db2.gz VEHASCGUUAJAEI-UHFFFAOYSA-N 2 1 387.549 3.696 20 0 GHADMP COc1ccc(OCc2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)cc1 ZINC001326202820 1057432353 /nfs/dbraw/zinc/43/23/53/1057432353.db2.gz VEHASCGUUAJAEI-UHFFFAOYSA-N 2 1 387.549 3.696 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC001326227296 1057437973 /nfs/dbraw/zinc/43/79/73/1057437973.db2.gz JRRDPZOSRYGKII-UNMCSNQZSA-N 2 1 383.580 3.588 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC001326584254 1057516566 /nfs/dbraw/zinc/51/65/66/1057516566.db2.gz SSWYGMZPGYMUES-CQSZACIVSA-N 2 1 384.351 3.636 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000849059839 1057570625 /nfs/dbraw/zinc/57/06/25/1057570625.db2.gz RCKVCRAALAAOSL-GOSISDBHSA-N 2 1 391.991 3.641 20 0 GHADMP C[C@@]1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000849075655 1057582790 /nfs/dbraw/zinc/58/27/90/1057582790.db2.gz KDYNLGBLZMGURP-QHCPKHFHSA-N 2 1 394.519 3.696 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC001440736803 1058602870 /nfs/dbraw/zinc/60/28/70/1058602870.db2.gz HFZOMWAMHPWSLO-YKSBVNFPSA-N 2 1 393.575 3.503 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC001440736803 1058602882 /nfs/dbraw/zinc/60/28/82/1058602882.db2.gz HFZOMWAMHPWSLO-YKSBVNFPSA-N 2 1 393.575 3.503 20 0 GHADMP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC001441245048 1058736929 /nfs/dbraw/zinc/73/69/29/1058736929.db2.gz UPIRDZJSUWCUSM-VXKWHMMOSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001441245048 1058736944 /nfs/dbraw/zinc/73/69/44/1058736944.db2.gz UPIRDZJSUWCUSM-VXKWHMMOSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001441245048 1058736955 /nfs/dbraw/zinc/73/69/55/1058736955.db2.gz UPIRDZJSUWCUSM-VXKWHMMOSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001447493297 1059972016 /nfs/dbraw/zinc/97/20/16/1059972016.db2.gz AKYKAPJYALWGBS-QHCPKHFHSA-N 2 1 379.548 3.527 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001447500847 1059972468 /nfs/dbraw/zinc/97/24/68/1059972468.db2.gz QXGCOFBOJMTNIO-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001447500847 1059972472 /nfs/dbraw/zinc/97/24/72/1059972472.db2.gz QXGCOFBOJMTNIO-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001447500847 1059972477 /nfs/dbraw/zinc/97/24/77/1059972477.db2.gz QXGCOFBOJMTNIO-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)[NH+]1CCCCC1 ZINC001447624605 1059989692 /nfs/dbraw/zinc/98/96/92/1059989692.db2.gz XGZRSQFYFLIGDB-IFMALSPDSA-N 2 1 383.580 3.669 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C[C@H](c2ccccc2)CC1=O ZINC001341618458 1060778987 /nfs/dbraw/zinc/77/89/87/1060778987.db2.gz QPDQDQMLBILTHC-JOCHJYFZSA-N 2 1 392.547 3.594 20 0 GHADMP CCOc1ccccc1[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001341714803 1060831745 /nfs/dbraw/zinc/83/17/45/1060831745.db2.gz QXGBMZQVAUQWIA-COPCDDAFSA-N 2 1 395.547 3.502 20 0 GHADMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001454009334 1061571314 /nfs/dbraw/zinc/57/13/14/1061571314.db2.gz JYYSSOYJFHARDE-QZTJIDSGSA-N 2 1 385.474 3.689 20 0 GHADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)C1 ZINC001454009334 1061571328 /nfs/dbraw/zinc/57/13/28/1061571328.db2.gz JYYSSOYJFHARDE-QZTJIDSGSA-N 2 1 385.474 3.689 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)c1 ZINC001454458276 1061787274 /nfs/dbraw/zinc/78/72/74/1061787274.db2.gz HAHNCORGTFXTLY-ZEQRLZLVSA-N 2 1 391.559 3.831 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)c1 ZINC001454458276 1061787297 /nfs/dbraw/zinc/78/72/97/1061787297.db2.gz HAHNCORGTFXTLY-ZEQRLZLVSA-N 2 1 391.559 3.831 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001454510623 1061812884 /nfs/dbraw/zinc/81/28/84/1061812884.db2.gz JJOAJDWJNYYPOB-LJQANCHMSA-N 2 1 377.960 3.637 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC001454510623 1061812896 /nfs/dbraw/zinc/81/28/96/1061812896.db2.gz JJOAJDWJNYYPOB-LJQANCHMSA-N 2 1 377.960 3.637 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001436206689 1063290738 /nfs/dbraw/zinc/29/07/38/1063290738.db2.gz UMNDGAGPCYOPTH-MZURWIMNSA-N 2 1 397.607 3.866 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccco1 ZINC001457810352 1063379028 /nfs/dbraw/zinc/37/90/28/1063379028.db2.gz CEQQKLDEACAZOQ-YJLNNSPDSA-N 2 1 377.916 3.781 20 0 GHADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001436921746 1063706909 /nfs/dbraw/zinc/70/69/09/1063706909.db2.gz MNWLDFZAXVFFGQ-PWRODBHTSA-N 2 1 397.588 3.516 20 0 GHADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001436921746 1063706919 /nfs/dbraw/zinc/70/69/19/1063706919.db2.gz MNWLDFZAXVFFGQ-PWRODBHTSA-N 2 1 397.588 3.516 20 0 GHADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001436921746 1063706939 /nfs/dbraw/zinc/70/69/39/1063706939.db2.gz MNWLDFZAXVFFGQ-PWRODBHTSA-N 2 1 397.588 3.516 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(C)C)CC2)CC1 ZINC001459529001 1064121012 /nfs/dbraw/zinc/12/10/12/1064121012.db2.gz ZQETXBVGIRXKIB-NRFANRHFSA-N 2 1 385.596 3.834 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC001459985535 1064321829 /nfs/dbraw/zinc/32/18/29/1064321829.db2.gz RDKISSZAKJLJLV-YJBOKZPZSA-N 2 1 399.373 3.684 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC001459985535 1064321838 /nfs/dbraw/zinc/32/18/38/1064321838.db2.gz RDKISSZAKJLJLV-YJBOKZPZSA-N 2 1 399.373 3.684 20 0 GHADMP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460001580 1064335267 /nfs/dbraw/zinc/33/52/67/1064335267.db2.gz XWVVUSGYEMEUMV-DBVUQKKJSA-N 2 1 377.960 3.714 20 0 GHADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001460001580 1064335277 /nfs/dbraw/zinc/33/52/77/1064335277.db2.gz XWVVUSGYEMEUMV-DBVUQKKJSA-N 2 1 377.960 3.714 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc2c(c1)OCO2 ZINC001460005884 1064338519 /nfs/dbraw/zinc/33/85/19/1064338519.db2.gz MLUFVSBBNCSFTQ-QFIPXVFZSA-N 2 1 382.504 3.684 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc2c(c1)OCO2 ZINC001460005884 1064338532 /nfs/dbraw/zinc/33/85/32/1064338532.db2.gz MLUFVSBBNCSFTQ-QFIPXVFZSA-N 2 1 382.504 3.684 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(C(F)(F)F)cc1 ZINC001464498808 1065047085 /nfs/dbraw/zinc/04/70/85/1065047085.db2.gz UQQAXVLVORRJCV-QAPCUYQASA-N 2 1 385.474 3.546 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC001464693832 1065160012 /nfs/dbraw/zinc/16/00/12/1065160012.db2.gz JNBPSPIZUJQMGT-QFBILLFUSA-N 2 1 399.501 3.841 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC001464696477 1065161901 /nfs/dbraw/zinc/16/19/01/1065161901.db2.gz QASNKLVBWVTQJV-FUHWJXTLSA-N 2 1 398.016 3.695 20 0 GHADMP Cc1ccc2c(ccc(C)c2C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC001465014273 1065327244 /nfs/dbraw/zinc/32/72/44/1065327244.db2.gz BLOADUGTQFZWKI-NRFANRHFSA-N 2 1 379.548 3.697 20 0 GHADMP Cc1ccc2c(ccc(C)c2C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC001465014273 1065327254 /nfs/dbraw/zinc/32/72/54/1065327254.db2.gz BLOADUGTQFZWKI-NRFANRHFSA-N 2 1 379.548 3.697 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C[N@H+]2C1 ZINC001465257156 1065504882 /nfs/dbraw/zinc/50/48/82/1065504882.db2.gz FXJOIBYLBRUHAB-UORUAJHFSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C[NH+]2C1 ZINC001465257156 1065504889 /nfs/dbraw/zinc/50/48/89/1065504889.db2.gz FXJOIBYLBRUHAB-UORUAJHFSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N(C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C[NH+]2C1 ZINC001465257156 1065504904 /nfs/dbraw/zinc/50/49/04/1065504904.db2.gz FXJOIBYLBRUHAB-UORUAJHFSA-N 2 1 383.580 3.618 20 0 GHADMP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC001465885430 1065910308 /nfs/dbraw/zinc/91/03/08/1065910308.db2.gz CMDSGYPFDYEOAQ-IRXDYDNUSA-N 2 1 380.536 3.920 20 0 GHADMP C[NH+](C)C1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCC1 ZINC001466388857 1066128386 /nfs/dbraw/zinc/12/83/86/1066128386.db2.gz SGZQQNVUMGNLLU-UHFFFAOYSA-N 2 1 398.378 3.948 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@@H](C)C1 ZINC001200459978 1066290802 /nfs/dbraw/zinc/29/08/02/1066290802.db2.gz RDZFTVSYIGJSCR-HKUYNNGSSA-N 2 1 394.629 3.668 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2sc(N3CCCCC3)nc2C)[C@@H](C)C1 ZINC001200459978 1066290821 /nfs/dbraw/zinc/29/08/21/1066290821.db2.gz RDZFTVSYIGJSCR-HKUYNNGSSA-N 2 1 394.629 3.668 20 0 GHADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC001467570907 1067364572 /nfs/dbraw/zinc/36/45/72/1067364572.db2.gz VEAIQUHXHKHYAB-QFIPXVFZSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001477677769 1078521489 /nfs/dbraw/zinc/52/14/89/1078521489.db2.gz QTNMGQGOYHYNPD-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC001467674800 1067411870 /nfs/dbraw/zinc/41/18/70/1067411870.db2.gz BBWRIZQGHPNTLT-GGAORHGYSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@H](CNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC001467674800 1067411875 /nfs/dbraw/zinc/41/18/75/1067411875.db2.gz BBWRIZQGHPNTLT-GGAORHGYSA-N 2 1 398.595 3.530 20 0 GHADMP C[NH+](C)C1(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCCCC1 ZINC001467754585 1067454299 /nfs/dbraw/zinc/45/42/99/1067454299.db2.gz WEROFQGVVPKKJJ-UHFFFAOYSA-N 2 1 392.632 3.939 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)CC(C)C ZINC001467950342 1067543008 /nfs/dbraw/zinc/54/30/08/1067543008.db2.gz NRNWUPUXRGHCTI-LEWJYISDSA-N 2 1 380.621 3.839 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001468032321 1067573614 /nfs/dbraw/zinc/57/36/14/1067573614.db2.gz LOCJTBVJJOQHFB-QFBILLFUSA-N 2 1 392.975 3.649 20 0 GHADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001468053824 1067582044 /nfs/dbraw/zinc/58/20/44/1067582044.db2.gz BIQBPGUBUYEXMF-OAQYLSRUSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001468269723 1067661330 /nfs/dbraw/zinc/66/13/30/1067661330.db2.gz VZZWWBRGYRKKQX-WHSGIHJSSA-N 2 1 392.632 3.839 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[NH+](C)C)cc1 ZINC001468351915 1067698841 /nfs/dbraw/zinc/69/88/41/1067698841.db2.gz SEYMURMTAPHJRN-FGZHOGPDSA-N 2 1 386.584 3.694 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001468631495 1067798161 /nfs/dbraw/zinc/79/81/61/1067798161.db2.gz SQTPVWCCGLLQLL-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001468631495 1067798168 /nfs/dbraw/zinc/79/81/68/1067798168.db2.gz SQTPVWCCGLLQLL-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001468631495 1067798176 /nfs/dbraw/zinc/79/81/76/1067798176.db2.gz SQTPVWCCGLLQLL-YADHBBJMSA-N 2 1 386.584 3.605 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC001477866962 1078602443 /nfs/dbraw/zinc/60/24/43/1078602443.db2.gz KNJMEVNUOOMVSN-FQEVSTJZSA-N 2 1 392.632 3.937 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001477968315 1078649754 /nfs/dbraw/zinc/64/97/54/1078649754.db2.gz AECLCIRTXJCKGG-OAQYLSRUSA-N 2 1 378.605 3.549 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001477968315 1078649765 /nfs/dbraw/zinc/64/97/65/1078649765.db2.gz AECLCIRTXJCKGG-OAQYLSRUSA-N 2 1 378.605 3.549 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001477968315 1078649772 /nfs/dbraw/zinc/64/97/72/1078649772.db2.gz AECLCIRTXJCKGG-OAQYLSRUSA-N 2 1 378.605 3.549 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC001469315132 1068095577 /nfs/dbraw/zinc/09/55/77/1068095577.db2.gz AENKFCVHPFWBET-REWPJTCUSA-N 2 1 398.595 3.557 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001478057791 1078694895 /nfs/dbraw/zinc/69/48/95/1078694895.db2.gz MVZPSFROXKCFJD-VXKWHMMOSA-N 2 1 390.616 3.547 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001478057793 1078695175 /nfs/dbraw/zinc/69/51/75/1078695175.db2.gz MVZPSFROXKCFJD-YADHBBJMSA-N 2 1 390.616 3.547 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[NH+]2C1)Cc1ccccc1 ZINC001469843231 1068424401 /nfs/dbraw/zinc/42/44/01/1068424401.db2.gz DVPIGLKHNGHWKV-MDNUFGMLSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1)Cc1ccccc1 ZINC001469843231 1068424406 /nfs/dbraw/zinc/42/44/06/1068424406.db2.gz DVPIGLKHNGHWKV-MDNUFGMLSA-N 2 1 385.596 3.915 20 0 GHADMP CCCCC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1)Cc1ccccc1 ZINC001469843231 1068424412 /nfs/dbraw/zinc/42/44/12/1068424412.db2.gz DVPIGLKHNGHWKV-MDNUFGMLSA-N 2 1 385.596 3.915 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC001469979756 1068500179 /nfs/dbraw/zinc/50/01/79/1068500179.db2.gz VVLNTAJLEYLEPU-VXKWHMMOSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001469979756 1068500185 /nfs/dbraw/zinc/50/01/85/1068500185.db2.gz VVLNTAJLEYLEPU-VXKWHMMOSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001469979756 1068500191 /nfs/dbraw/zinc/50/01/91/1068500191.db2.gz VVLNTAJLEYLEPU-VXKWHMMOSA-N 2 1 390.616 3.880 20 0 GHADMP O=C(NC[C@@H]1CCN1Cc1ccccc1)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001470376005 1068708357 /nfs/dbraw/zinc/70/83/57/1068708357.db2.gz RUCGVCGFHMKOOB-GOTSBHOMSA-N 2 1 395.522 3.571 20 0 GHADMP Cc1cc(Br)c2c(c1)CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC001460622767 1069037721 /nfs/dbraw/zinc/03/77/21/1069037721.db2.gz WGBVXGFPPIPOMY-UHFFFAOYSA-N 2 1 394.401 3.532 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001460669553 1069072796 /nfs/dbraw/zinc/07/27/96/1069072796.db2.gz BJHOVEDLNSSUHH-HXUWFJFHSA-N 2 1 395.950 3.884 20 0 GHADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)[nH+]c1C ZINC001460784580 1069177141 /nfs/dbraw/zinc/17/71/41/1069177141.db2.gz GBJBANJYZKSWLH-QGZVFWFLSA-N 2 1 397.441 3.665 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001478686722 1078956300 /nfs/dbraw/zinc/95/63/00/1078956300.db2.gz GWGNBJWPLDLNCS-BDTNDASRSA-N 2 1 392.632 3.793 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001470877448 1072786091 /nfs/dbraw/zinc/78/60/91/1072786091.db2.gz AZNDNEPBODADSD-QHCPKHFHSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCCC3)CC2)[nH+]c1 ZINC001471236697 1072979032 /nfs/dbraw/zinc/97/90/32/1072979032.db2.gz VZKZDWBMSMVMIY-OAQYLSRUSA-N 2 1 384.568 3.520 20 0 GHADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)CC2)[nH+]c1 ZINC001471236697 1072979034 /nfs/dbraw/zinc/97/90/34/1072979034.db2.gz VZKZDWBMSMVMIY-OAQYLSRUSA-N 2 1 384.568 3.520 20 0 GHADMP C[N@H+]1CC[C@H]1CNC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001471409324 1073058916 /nfs/dbraw/zinc/05/89/16/1073058916.db2.gz GWKLLXLWJUFLSU-GOTSBHOMSA-N 2 1 398.595 3.557 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001471614713 1073159323 /nfs/dbraw/zinc/15/93/23/1073159323.db2.gz TULGIFPPBXESNK-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001479083154 1079096596 /nfs/dbraw/zinc/09/65/96/1079096596.db2.gz QLKXEXXFUWCZLN-OIBXWCBGSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001479083154 1079096598 /nfs/dbraw/zinc/09/65/98/1079096598.db2.gz QLKXEXXFUWCZLN-OIBXWCBGSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001479083154 1079096601 /nfs/dbraw/zinc/09/66/01/1079096601.db2.gz QLKXEXXFUWCZLN-OIBXWCBGSA-N 2 1 398.595 3.870 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CCN1Cc1ccccc1 ZINC001479142720 1079121427 /nfs/dbraw/zinc/12/14/27/1079121427.db2.gz KLPGJSORICDEBZ-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001479142720 1079121430 /nfs/dbraw/zinc/12/14/30/1079121430.db2.gz KLPGJSORICDEBZ-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)CC[N@H+]1Cc1ccccc1 ZINC001479142720 1079121431 /nfs/dbraw/zinc/12/14/31/1079121431.db2.gz KLPGJSORICDEBZ-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC[NH+]1Cc1ccccc1 ZINC001479142720 1079121434 /nfs/dbraw/zinc/12/14/34/1079121434.db2.gz KLPGJSORICDEBZ-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC[NH+]1Cc1ccccc1 ZINC001479142720 1079121437 /nfs/dbraw/zinc/12/14/37/1079121437.db2.gz KLPGJSORICDEBZ-REWPJTCUSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1cc2sc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)nc2c(C)c1 ZINC001472675359 1073610455 /nfs/dbraw/zinc/61/04/55/1073610455.db2.gz OFRVLXBTUSPKPR-UHFFFAOYSA-N 2 1 381.549 3.932 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc3ccc(C)s3)C1)O2 ZINC001473455917 1073972858 /nfs/dbraw/zinc/97/28/58/1073972858.db2.gz RMEOREGXODAGOQ-PXNSSMCTSA-N 2 1 386.561 3.823 20 0 GHADMP COc1ccc2c(c1)C[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc3ccc(C)s3)C1)O2 ZINC001473455917 1073972861 /nfs/dbraw/zinc/97/28/61/1073972861.db2.gz RMEOREGXODAGOQ-PXNSSMCTSA-N 2 1 386.561 3.823 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1OCc1ccccc1 ZINC001473484255 1073984132 /nfs/dbraw/zinc/98/41/32/1073984132.db2.gz RPZHROOALCKJIL-CUYJMHBOSA-N 2 1 394.559 3.597 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1OCc1ccccc1 ZINC001473484255 1073984134 /nfs/dbraw/zinc/98/41/34/1073984134.db2.gz RPZHROOALCKJIL-CUYJMHBOSA-N 2 1 394.559 3.597 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001473492521 1073987779 /nfs/dbraw/zinc/98/77/79/1073987779.db2.gz HZDBTBDYXZIZIS-AEFFLSMTSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001473492521 1073987785 /nfs/dbraw/zinc/98/77/85/1073987785.db2.gz HZDBTBDYXZIZIS-AEFFLSMTSA-N 2 1 398.332 3.640 20 0 GHADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001473492521 1073987787 /nfs/dbraw/zinc/98/77/87/1073987787.db2.gz HZDBTBDYXZIZIS-AEFFLSMTSA-N 2 1 398.332 3.640 20 0 GHADMP COc1cccc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC001473729232 1074111992 /nfs/dbraw/zinc/11/19/92/1074111992.db2.gz AJEJTMMAYYINEO-UHFFFAOYSA-N 2 1 393.575 3.999 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccccc2CC(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC001474018407 1074237220 /nfs/dbraw/zinc/23/72/20/1074237220.db2.gz LIMIUOFPGJDEEK-HXUWFJFHSA-N 2 1 378.438 3.518 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccccc2CC(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001474018407 1074237228 /nfs/dbraw/zinc/23/72/28/1074237228.db2.gz LIMIUOFPGJDEEK-HXUWFJFHSA-N 2 1 378.438 3.518 20 0 GHADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001474165739 1074281580 /nfs/dbraw/zinc/28/15/80/1074281580.db2.gz CSWSWJCIVHODFM-OALUTQOASA-N 2 1 397.604 3.645 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001474165739 1074281585 /nfs/dbraw/zinc/28/15/85/1074281585.db2.gz CSWSWJCIVHODFM-OALUTQOASA-N 2 1 397.604 3.645 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3N3CCO[C@H](C)C3)C2)CC1 ZINC001474339859 1074352239 /nfs/dbraw/zinc/35/22/39/1074352239.db2.gz PSMWOSWZCJCXLO-YADHBBJMSA-N 2 1 385.596 3.856 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3N3CCO[C@H](C)C3)C2)CC1 ZINC001474339859 1074352244 /nfs/dbraw/zinc/35/22/44/1074352244.db2.gz PSMWOSWZCJCXLO-YADHBBJMSA-N 2 1 385.596 3.856 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001474686374 1074515132 /nfs/dbraw/zinc/51/51/32/1074515132.db2.gz UFSSHTQZVSEVAO-XMSQKQJNSA-N 2 1 388.556 3.629 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001495489524 1079410807 /nfs/dbraw/zinc/41/08/07/1079410807.db2.gz TUMNSQHUSWVDLR-QUCCMNQESA-N 2 1 390.620 3.633 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[NH+](C(C)C)C(C)C ZINC001495863172 1079432099 /nfs/dbraw/zinc/43/20/99/1079432099.db2.gz AQOISIDSYFLCSV-WOJBJXKFSA-N 2 1 390.620 3.585 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001496138164 1079457454 /nfs/dbraw/zinc/45/74/54/1079457454.db2.gz LUDJBLAICDTSHN-HXUWFJFHSA-N 2 1 398.599 3.596 20 0 GHADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001496138164 1079457455 /nfs/dbraw/zinc/45/74/55/1079457455.db2.gz LUDJBLAICDTSHN-HXUWFJFHSA-N 2 1 398.599 3.596 20 0 GHADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001496138164 1079457456 /nfs/dbraw/zinc/45/74/56/1079457456.db2.gz LUDJBLAICDTSHN-HXUWFJFHSA-N 2 1 398.599 3.596 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001496138160 1079457477 /nfs/dbraw/zinc/45/74/77/1079457477.db2.gz LUDJBLAICDTSHN-FQEVSTJZSA-N 2 1 398.599 3.596 20 0 GHADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccccc2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001496138160 1079457478 /nfs/dbraw/zinc/45/74/78/1079457478.db2.gz LUDJBLAICDTSHN-FQEVSTJZSA-N 2 1 398.599 3.596 20 0 GHADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001496138160 1079457482 /nfs/dbraw/zinc/45/74/82/1079457482.db2.gz LUDJBLAICDTSHN-FQEVSTJZSA-N 2 1 398.599 3.596 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414506 607088322 /nfs/dbraw/zinc/08/83/22/607088322.db2.gz YQOTZEZHAVDXCE-LLGFUMIMSA-N 2 1 376.508 3.570 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414506 607088324 /nfs/dbraw/zinc/08/83/24/607088324.db2.gz YQOTZEZHAVDXCE-LLGFUMIMSA-N 2 1 376.508 3.570 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164683173 719613322 /nfs/dbraw/zinc/61/33/22/719613322.db2.gz HQKMFYBNVXAFER-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164683173 719613327 /nfs/dbraw/zinc/61/33/27/719613327.db2.gz HQKMFYBNVXAFER-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164843635 720663233 /nfs/dbraw/zinc/66/32/33/720663233.db2.gz WSTVTFZEBSAWAY-LJQANCHMSA-N 2 1 376.504 3.823 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-n3ccnc3)cc[nH+]1)CC2 ZINC001164795490 721501979 /nfs/dbraw/zinc/50/19/79/721501979.db2.gz IYFOCCDLIIXFFH-UHFFFAOYSA-N 2 1 388.519 3.543 20 0 GHADMP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2ccc(C[NH+]4CCCC4)cn2)CC3)c1 ZINC001164955232 722021604 /nfs/dbraw/zinc/02/16/04/722021604.db2.gz BABSKJXIFMCSSY-UHFFFAOYSA-N 2 1 391.563 3.565 20 0 GHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981030 722149508 /nfs/dbraw/zinc/14/95/08/722149508.db2.gz OJXDQPFTVKYZFR-FGZHOGPDSA-N 2 1 388.515 3.666 20 0 GHADMP Cc1cccc2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164981030 722149509 /nfs/dbraw/zinc/14/95/09/722149509.db2.gz OJXDQPFTVKYZFR-FGZHOGPDSA-N 2 1 388.515 3.666 20 0 GHADMP C[C@@H]1CCC[C@H](CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000431773353 837439402 /nfs/dbraw/zinc/43/94/02/837439402.db2.gz OMPUAYCGRKHZPY-CTNGQTDRSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1cc(Br)cn2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543467 837472745 /nfs/dbraw/zinc/47/27/45/837472745.db2.gz ODVQBDJJQQKGOU-HZPDHXFCSA-N 2 1 391.357 3.617 20 0 GHADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OCc1cccnc1 ZINC000647544182 837476817 /nfs/dbraw/zinc/47/68/17/837476817.db2.gz XYYUKCUUQYGODF-FGZHOGPDSA-N 2 1 395.547 3.881 20 0 GHADMP CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431796152 837559117 /nfs/dbraw/zinc/55/91/17/837559117.db2.gz JGQJKBSYMLVNKY-IRLDBZIGSA-N 2 1 392.632 3.793 20 0 GHADMP c1ccc(COCc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000655689647 837610212 /nfs/dbraw/zinc/61/02/12/837610212.db2.gz IUQBAVHWECSWCV-XMMPIXPASA-N 2 1 380.532 3.746 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)C1 ZINC000655692770 837676615 /nfs/dbraw/zinc/67/66/15/837676615.db2.gz UGFCKACOSBTAHD-YOSAUDMPSA-N 3 1 385.596 3.507 20 0 GHADMP c1ccc(OCc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2)cc1 ZINC000655696708 837687883 /nfs/dbraw/zinc/68/78/83/837687883.db2.gz JONFVTPIGAYGJY-DEOSSOPVSA-N 2 1 380.532 3.999 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2)cc1 ZINC000261686040 844012361 /nfs/dbraw/zinc/01/23/61/844012361.db2.gz APJMBXRCGMEXNC-UHFFFAOYSA-N 2 1 379.504 3.523 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000655710423 837701044 /nfs/dbraw/zinc/70/10/44/837701044.db2.gz APVVTUGQJHZSNH-IRXDYDNUSA-N 2 1 389.341 3.660 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000655710423 837701056 /nfs/dbraw/zinc/70/10/56/837701056.db2.gz APVVTUGQJHZSNH-IRXDYDNUSA-N 2 1 389.341 3.660 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000655721539 837734795 /nfs/dbraw/zinc/73/47/95/837734795.db2.gz OZAPFGUMIPPAFE-MSOLQXFVSA-N 2 1 386.458 3.706 20 0 GHADMP Clc1ccc(-c2nc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cs2)cc1 ZINC000655736678 837775257 /nfs/dbraw/zinc/77/52/57/837775257.db2.gz IQYJURHXDRWPBJ-IBGZPJMESA-N 2 1 391.968 3.849 20 0 GHADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(-c2cc3ccccc3o2)n1 ZINC000650705994 834529824 /nfs/dbraw/zinc/52/98/24/834529824.db2.gz BNMDAYFNEJMWNM-HFSMHLIXSA-N 2 1 394.519 3.552 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)NCc1cccs1 ZINC000647334077 834582038 /nfs/dbraw/zinc/58/20/38/834582038.db2.gz FSOBZOAZEAZEMV-KPFFTGBYSA-N 2 1 377.598 3.776 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975210 834613914 /nfs/dbraw/zinc/61/39/14/834613914.db2.gz MIBKVTFFNJHACJ-DENIHFKCSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000600975210 834613918 /nfs/dbraw/zinc/61/39/18/834613918.db2.gz MIBKVTFFNJHACJ-DENIHFKCSA-N 2 1 399.966 3.971 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000090659939 834618585 /nfs/dbraw/zinc/61/85/85/834618585.db2.gz VIAHQUPOVJDPNI-WIYYLYMNSA-N 2 1 376.504 3.922 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000090659939 834618589 /nfs/dbraw/zinc/61/85/89/834618589.db2.gz VIAHQUPOVJDPNI-WIYYLYMNSA-N 2 1 376.504 3.922 20 0 GHADMP [NH3+]Cc1ccc(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)c(F)c1 ZINC000650717291 834642454 /nfs/dbraw/zinc/64/24/54/834642454.db2.gz WRDHQJAPNGMYPN-UHFFFAOYSA-N 2 1 392.400 3.838 20 0 GHADMP CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654836383 834647073 /nfs/dbraw/zinc/64/70/73/834647073.db2.gz KNTAIIINUCGZFW-QHCPKHFHSA-N 2 1 399.623 3.971 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511255463 834717143 /nfs/dbraw/zinc/71/71/43/834717143.db2.gz YJLHQGDHZBAKMU-PZJWPPBQSA-N 2 1 390.616 3.547 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000161793662 834753369 /nfs/dbraw/zinc/75/33/69/834753369.db2.gz UMFBNYUJKQMYGJ-OAQYLSRUSA-N 2 1 387.568 3.586 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000654969829 834880835 /nfs/dbraw/zinc/88/08/35/834880835.db2.gz KGQDTWVSEZRZTI-LEWJYISDSA-N 2 1 385.939 3.619 20 0 GHADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000654969829 834880845 /nfs/dbraw/zinc/88/08/45/834880845.db2.gz KGQDTWVSEZRZTI-LEWJYISDSA-N 2 1 385.939 3.619 20 0 GHADMP C[NH+](C)CCOc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685442994 835013271 /nfs/dbraw/zinc/01/32/71/835013271.db2.gz ASKWLVZBXWDXFJ-RUZDIDTESA-N 2 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685442994 835013280 /nfs/dbraw/zinc/01/32/80/835013280.db2.gz ASKWLVZBXWDXFJ-RUZDIDTESA-N 3 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685442994 835013283 /nfs/dbraw/zinc/01/32/83/835013283.db2.gz ASKWLVZBXWDXFJ-RUZDIDTESA-N 3 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685442994 835013292 /nfs/dbraw/zinc/01/32/92/835013292.db2.gz ASKWLVZBXWDXFJ-RUZDIDTESA-N 3 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685442994 835013299 /nfs/dbraw/zinc/01/32/99/835013299.db2.gz ASKWLVZBXWDXFJ-RUZDIDTESA-N 3 1 393.575 3.725 20 0 GHADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000685470940 835036239 /nfs/dbraw/zinc/03/62/39/835036239.db2.gz YAASAXIMRZKSHV-VQTJNVASSA-N 2 1 386.561 3.628 20 0 GHADMP c1ncn(-c2ccccc2C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000685632441 835240174 /nfs/dbraw/zinc/24/01/74/835240174.db2.gz SNVOYZYHKNMVGH-OAQYLSRUSA-N 2 1 375.520 3.659 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394548800 835258918 /nfs/dbraw/zinc/25/89/18/835258918.db2.gz DGVZFQPRPOAXKF-LLVKDONJSA-N 2 1 376.136 3.643 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000650143625 835275509 /nfs/dbraw/zinc/27/55/09/835275509.db2.gz CLLBJMAVBUZCEL-QHCPKHFHSA-N 2 1 380.536 3.577 20 0 GHADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)C1 ZINC000536171206 835310421 /nfs/dbraw/zinc/31/04/21/835310421.db2.gz PIRSGJHTFGCMMK-KBAYOESNSA-N 2 1 391.506 3.703 20 0 GHADMP C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000683229767 835325015 /nfs/dbraw/zinc/32/50/15/835325015.db2.gz WENLMUUAUYZIEJ-DAQNBYSMSA-N 2 1 382.523 3.792 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000658074089 835399027 /nfs/dbraw/zinc/39/90/27/835399027.db2.gz RKBYXMMHOTVQEL-CCDWMCETSA-N 2 1 391.559 3.713 20 0 GHADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151369385 835405020 /nfs/dbraw/zinc/40/50/20/835405020.db2.gz YKBMDNUNNKAKSX-HSZRJFAPSA-N 2 1 386.511 3.555 20 0 GHADMP COC(=O)[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccsc1 ZINC000278575018 835442878 /nfs/dbraw/zinc/44/28/78/835442878.db2.gz BDXPBFVJKLHCKL-HXUWFJFHSA-N 2 1 387.549 3.852 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)CC3 ZINC000658134510 835443839 /nfs/dbraw/zinc/44/38/39/835443839.db2.gz BAQLZMPUXXMEQZ-RTWAWAEBSA-N 2 1 389.543 3.690 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ncc(-c2ccccc2)n1C ZINC000658135456 835445301 /nfs/dbraw/zinc/44/53/01/835445301.db2.gz DUSMUJFLNDNRJD-PGRDOPGGSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ncc(-c2ccccc2)n1C ZINC000658135456 835445303 /nfs/dbraw/zinc/44/53/03/835445303.db2.gz DUSMUJFLNDNRJD-PGRDOPGGSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ncc(-c2ccccc2)n1C ZINC000658135453 835445333 /nfs/dbraw/zinc/44/53/33/835445333.db2.gz DUSMUJFLNDNRJD-GCJKJVERSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ncc(-c2ccccc2)n1C ZINC000658135453 835445335 /nfs/dbraw/zinc/44/53/35/835445335.db2.gz DUSMUJFLNDNRJD-GCJKJVERSA-N 2 1 390.531 3.505 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4cc5c(cc43)CCC5)cc2)C1 ZINC000658136486 835445662 /nfs/dbraw/zinc/44/56/62/835445662.db2.gz HDUUPNRRLXHZOT-ISKFKSNPSA-N 2 1 392.543 3.745 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4c5ccccc5[nH]c43)cc2)C1 ZINC000658139746 835465575 /nfs/dbraw/zinc/46/55/75/835465575.db2.gz RYFZPUCXEUUGOI-AUSIDOKSSA-N 2 1 375.516 3.902 20 0 GHADMP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658140884 835467032 /nfs/dbraw/zinc/46/70/32/835467032.db2.gz VTLQVAWTKZOJIE-ZEQRLZLVSA-N 2 1 382.548 3.584 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000133330801 835519662 /nfs/dbraw/zinc/51/96/62/835519662.db2.gz YCPITZQHLLHNBF-GCJKJVERSA-N 2 1 381.520 3.527 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000133330801 835519666 /nfs/dbraw/zinc/51/96/66/835519666.db2.gz YCPITZQHLLHNBF-GCJKJVERSA-N 2 1 381.520 3.527 20 0 GHADMP CCOc1ccccc1NC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274811492 835585039 /nfs/dbraw/zinc/58/50/39/835585039.db2.gz HXLBEQNCGDIYGH-UYAOXDASSA-N 2 1 381.520 3.524 20 0 GHADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000584161019 835708456 /nfs/dbraw/zinc/70/84/56/835708456.db2.gz LJJDDYMYMYWSCB-UHFFFAOYSA-N 2 1 392.547 3.805 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)ccc1OCCO ZINC000151674307 835725762 /nfs/dbraw/zinc/72/57/62/835725762.db2.gz YTUNSCOVIWXNDC-SJORKVTESA-N 2 1 395.503 3.972 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ncn1 ZINC000274886534 835782418 /nfs/dbraw/zinc/78/24/18/835782418.db2.gz IQJLKGJLOYFGQD-FPOVZHCZSA-N 2 1 393.579 3.508 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864673 835805009 /nfs/dbraw/zinc/80/50/09/835805009.db2.gz NPXHWSQSZZBHAR-BEFAXECRSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864673 835805020 /nfs/dbraw/zinc/80/50/20/835805020.db2.gz NPXHWSQSZZBHAR-BEFAXECRSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134864673 835805025 /nfs/dbraw/zinc/80/50/25/835805025.db2.gz NPXHWSQSZZBHAR-BEFAXECRSA-N 2 1 391.943 3.626 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134864673 835805039 /nfs/dbraw/zinc/80/50/39/835805039.db2.gz NPXHWSQSZZBHAR-BEFAXECRSA-N 2 1 391.943 3.626 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169138492 835857207 /nfs/dbraw/zinc/85/72/07/835857207.db2.gz CHUQRZXSMDOUIL-AEFFLSMTSA-N 2 1 397.485 3.724 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169138571 835857893 /nfs/dbraw/zinc/85/78/93/835857893.db2.gz CHUQRZXSMDOUIL-WMZOPIPTSA-N 2 1 397.485 3.724 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657847801 835931481 /nfs/dbraw/zinc/93/14/81/835931481.db2.gz XBKJODZKNPRHMM-CYBMUJFWSA-N 2 1 378.866 3.726 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000081156134 835932985 /nfs/dbraw/zinc/93/29/85/835932985.db2.gz VYIYPHNFDGGIQD-FQEVSTJZSA-N 2 1 379.548 3.708 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)C[C@H](C)O1 ZINC000092587055 844121852 /nfs/dbraw/zinc/12/18/52/844121852.db2.gz WIUAIXDIIASBNW-GASCZTMLSA-N 2 1 386.458 3.748 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180157106 836099074 /nfs/dbraw/zinc/09/90/74/836099074.db2.gz YRASGOSXZZIXIR-KWDCZQRMSA-N 2 1 395.591 3.953 20 0 GHADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000612407641 836175239 /nfs/dbraw/zinc/17/52/39/836175239.db2.gz WJITZGUMIPNKSE-FPOVZHCZSA-N 2 1 396.531 3.801 20 0 GHADMP CC[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000685773967 836208988 /nfs/dbraw/zinc/20/89/88/836208988.db2.gz ZGLHRYARXMJAPX-TUACAJSNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000685773967 836208996 /nfs/dbraw/zinc/20/89/96/836208996.db2.gz ZGLHRYARXMJAPX-TUACAJSNSA-N 2 1 393.575 3.924 20 0 GHADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000685773967 836209005 /nfs/dbraw/zinc/20/90/05/836209005.db2.gz ZGLHRYARXMJAPX-TUACAJSNSA-N 2 1 393.575 3.924 20 0 GHADMP C[C@@H]1CC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000431674378 836672435 /nfs/dbraw/zinc/67/24/35/836672435.db2.gz DFNWSTMAMJATEQ-WOIUINJBSA-N 2 1 392.632 3.649 20 0 GHADMP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000414247692 836716182 /nfs/dbraw/zinc/71/61/82/836716182.db2.gz OPCUVNDKJGBTNK-GTCCEBARSA-N 2 1 379.508 3.826 20 0 GHADMP Cc1ccc([C@H](C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)N2CCOCC2)o1 ZINC000118950792 836734827 /nfs/dbraw/zinc/73/48/27/836734827.db2.gz AGSLWAGHDQUISP-NYVOZVTQSA-N 2 1 389.584 3.594 20 0 GHADMP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000142869360 837035576 /nfs/dbraw/zinc/03/55/76/837035576.db2.gz DRXQORRAVZICAW-JOCHJYFZSA-N 2 1 383.580 3.864 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000471294271 837069391 /nfs/dbraw/zinc/06/93/91/837069391.db2.gz XHOMAESZPWNHHU-QFIPXVFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000471294271 837069398 /nfs/dbraw/zinc/06/93/98/837069398.db2.gz XHOMAESZPWNHHU-QFIPXVFZSA-N 2 1 391.559 3.923 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C1CC1 ZINC000471294271 837069408 /nfs/dbraw/zinc/06/94/08/837069408.db2.gz XHOMAESZPWNHHU-QFIPXVFZSA-N 2 1 391.559 3.923 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCCC23CC[NH+](C)CC3)C[N@H+]1Cc1ccccc1 ZINC000510955585 844247304 /nfs/dbraw/zinc/24/73/04/844247304.db2.gz YPAMTTUNYONQOA-IFMALSPDSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)N2CCCC23CC[NH+](C)CC3)C[N@H+]1Cc1ccccc1 ZINC000510955588 844247396 /nfs/dbraw/zinc/24/73/96/844247396.db2.gz YPAMTTUNYONQOA-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)[C@H](C)C1 ZINC000414345662 837258337 /nfs/dbraw/zinc/25/83/37/837258337.db2.gz FABUKYPCFQTYOW-UZLBHIALSA-N 2 1 394.401 3.733 20 0 GHADMP CCn1ccnc1C[N@@H+](CCCCOc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000647528535 837267826 /nfs/dbraw/zinc/26/78/26/837267826.db2.gz SFZKLRMIFFVTJX-NRFANRHFSA-N 2 1 382.552 3.706 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000647607189 837850238 /nfs/dbraw/zinc/85/02/38/837850238.db2.gz AZSVVALYDAFAHX-LJQANCHMSA-N 2 1 377.410 3.538 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535671316 844290690 /nfs/dbraw/zinc/29/06/90/844290690.db2.gz AZLPQWGPCXUTBK-GMBSWORKSA-N 2 1 398.954 3.501 20 0 GHADMP FC(F)(F)CN1CC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579956274 838031206 /nfs/dbraw/zinc/03/12/06/838031206.db2.gz ADXYXYUJSKLFJL-OALUTQOASA-N 2 1 381.486 3.657 20 0 GHADMP FC(F)(F)CN1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000579956274 838031216 /nfs/dbraw/zinc/03/12/16/838031216.db2.gz ADXYXYUJSKLFJL-OALUTQOASA-N 2 1 381.486 3.657 20 0 GHADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535671316 844290677 /nfs/dbraw/zinc/29/06/77/844290677.db2.gz AZLPQWGPCXUTBK-GMBSWORKSA-N 2 1 398.954 3.501 20 0 GHADMP COC(=O)c1oc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C ZINC000535682828 844303114 /nfs/dbraw/zinc/30/31/14/844303114.db2.gz XOBVMKNQRLGTLZ-UHFFFAOYSA-N 2 1 382.504 3.863 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000415900823 838247270 /nfs/dbraw/zinc/24/72/70/838247270.db2.gz MGXGHLRBTATLCT-HSZRJFAPSA-N 2 1 378.520 3.536 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCc4ccc(Cl)cc43)cc2)CC1 ZINC000535686344 844306895 /nfs/dbraw/zinc/30/68/95/844306895.db2.gz MHWRHZGTABFUQE-JOCHJYFZSA-N 2 1 397.950 3.895 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000151134203 838258733 /nfs/dbraw/zinc/25/87/33/838258733.db2.gz BKCTVKKASHSEDS-LSDHHAIUSA-N 2 1 387.446 3.624 20 0 GHADMP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[NH2+]C[C@@H]3c3ccccc3Cl)cc21 ZINC000659311661 838270823 /nfs/dbraw/zinc/27/08/23/838270823.db2.gz OMVPXVGLASQSJU-DYESRHJHSA-N 2 1 383.923 3.505 20 0 GHADMP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+](C)Cc1ccccc1 ZINC000415969016 838336740 /nfs/dbraw/zinc/33/67/40/838336740.db2.gz JSBJJDZUWJXWBU-AWEZNQCLSA-N 2 1 394.441 3.806 20 0 GHADMP O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000782935201 838456366 /nfs/dbraw/zinc/45/63/66/838456366.db2.gz YPVAXQSRHWDXCD-FQEVSTJZSA-N 2 1 397.563 3.651 20 0 GHADMP CN(C(=O)CC[N@H+]1CCc2ccccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000416165011 838658377 /nfs/dbraw/zinc/65/83/77/838658377.db2.gz CMNASQNTZAJILN-UHFFFAOYSA-N 2 1 391.559 3.558 20 0 GHADMP COC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000683814922 838914845 /nfs/dbraw/zinc/91/48/45/838914845.db2.gz CJQATJDTLOISTR-RBUKOAKNSA-N 2 1 393.984 3.667 20 0 GHADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958157 844391124 /nfs/dbraw/zinc/39/11/24/844391124.db2.gz ICFOLZYRNCMDOM-RBUKOAKNSA-N 2 1 387.568 3.571 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1)C1CC1 ZINC000511546358 839042172 /nfs/dbraw/zinc/04/21/72/839042172.db2.gz HBFYFWFPGZQRAH-QHCPKHFHSA-N 2 1 379.548 3.574 20 0 GHADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NCc1ccc(Cl)cc1 ZINC000613644423 839053212 /nfs/dbraw/zinc/05/32/12/839053212.db2.gz IZYCOJDJZSGPEF-UHFFFAOYSA-N 2 1 377.960 3.544 20 0 GHADMP Brc1cccc(OCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415072844 839170391 /nfs/dbraw/zinc/17/03/91/839170391.db2.gz AEBORYUXKGPZGI-MJGOQNOKSA-N 2 1 375.310 3.911 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000415106421 839201942 /nfs/dbraw/zinc/20/19/42/839201942.db2.gz JKFVSHJTWFMXEQ-IAGOWNOFSA-N 2 1 387.749 3.821 20 0 GHADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000415107794 839218781 /nfs/dbraw/zinc/21/87/81/839218781.db2.gz LQTHDIJNYZKJOD-ZIAGYGMSSA-N 2 1 393.778 3.882 20 0 GHADMP C[C@@H]1CCC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000431886109 839402595 /nfs/dbraw/zinc/40/25/95/839402595.db2.gz XFULTZDSXHKNEK-KNKQGSTJSA-N 2 1 392.632 3.649 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000613670662 839414462 /nfs/dbraw/zinc/41/44/62/839414462.db2.gz LMTXBOSADUISEX-UIFIKXQLSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000613670662 839414468 /nfs/dbraw/zinc/41/44/68/839414468.db2.gz LMTXBOSADUISEX-UIFIKXQLSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1ccsc1 ZINC000613670662 839414475 /nfs/dbraw/zinc/41/44/75/839414475.db2.gz LMTXBOSADUISEX-UIFIKXQLSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1ccsc1 ZINC000613670662 839414486 /nfs/dbraw/zinc/41/44/86/839414486.db2.gz LMTXBOSADUISEX-UIFIKXQLSA-N 2 1 383.561 3.664 20 0 GHADMP COc1cccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cs2)c1 ZINC000580451701 839574956 /nfs/dbraw/zinc/57/49/56/839574956.db2.gz ILLSTLARCPDYLW-UXHICEINSA-N 2 1 387.549 3.537 20 0 GHADMP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000510328920 839577022 /nfs/dbraw/zinc/57/70/22/839577022.db2.gz HYPCMWCXQVBSII-KRWDZBQOSA-N 2 1 391.515 3.671 20 0 GHADMP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000510328920 839577029 /nfs/dbraw/zinc/57/70/29/839577029.db2.gz HYPCMWCXQVBSII-KRWDZBQOSA-N 2 1 391.515 3.671 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000580463586 839602406 /nfs/dbraw/zinc/60/24/06/839602406.db2.gz SNQAAYUMWWFSMF-PKTZIBPZSA-N 2 1 383.580 3.635 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000580463585 839602615 /nfs/dbraw/zinc/60/26/15/839602615.db2.gz SNQAAYUMWWFSMF-GOTSBHOMSA-N 2 1 383.580 3.635 20 0 GHADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc([C@H](C)[NH3+])cc3)c2C1 ZINC000415463153 839801710 /nfs/dbraw/zinc/80/17/10/839801710.db2.gz JEWQZQITWYCXKK-JKSUJKDBSA-N 2 1 394.519 3.644 20 0 GHADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000415467296 839811861 /nfs/dbraw/zinc/81/18/61/839811861.db2.gz URHNQESFXNPMSH-IRXDYDNUSA-N 2 1 394.519 3.515 20 0 GHADMP COCc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC ZINC000160613748 840072638 /nfs/dbraw/zinc/07/26/38/840072638.db2.gz QCIIHNVPGQVBLW-SFHVURJKSA-N 2 1 384.520 3.525 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000535810564 844513238 /nfs/dbraw/zinc/51/32/38/844513238.db2.gz QMVWYPSHRYBFRD-DHLKQENFSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000535810564 844513249 /nfs/dbraw/zinc/51/32/49/844513249.db2.gz QMVWYPSHRYBFRD-DHLKQENFSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000535810564 844513257 /nfs/dbraw/zinc/51/32/57/844513257.db2.gz QMVWYPSHRYBFRD-DHLKQENFSA-N 3 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000535810564 844513263 /nfs/dbraw/zinc/51/32/63/844513263.db2.gz QMVWYPSHRYBFRD-DHLKQENFSA-N 2 1 396.623 3.667 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000535810564 844513273 /nfs/dbraw/zinc/51/32/73/844513273.db2.gz QMVWYPSHRYBFRD-DHLKQENFSA-N 2 1 396.623 3.667 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000416975833 840320430 /nfs/dbraw/zinc/32/04/30/840320430.db2.gz NEVIDBKMBJCSSC-HXUWFJFHSA-N 2 1 398.595 3.736 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000416972983 840329587 /nfs/dbraw/zinc/32/95/87/840329587.db2.gz TUTBLRALNDQYGH-CVDCTZTESA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000418499515 840334157 /nfs/dbraw/zinc/33/41/57/840334157.db2.gz YDXOBHKIKOATQO-MOPGFXCFSA-N 2 1 380.536 3.512 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000310009991 840374546 /nfs/dbraw/zinc/37/45/46/840374546.db2.gz JXXKLBOTFBCEDV-JOCHJYFZSA-N 2 1 375.557 3.792 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](C4CCC4)CC3)c2c1C ZINC000500423505 840471438 /nfs/dbraw/zinc/47/14/38/840471438.db2.gz RDULRHDTXSLGLB-UHFFFAOYSA-N 2 1 385.581 3.578 20 0 GHADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653588 841059298 /nfs/dbraw/zinc/05/92/98/841059298.db2.gz BXWUUGJJDAWXOF-ISKFKSNPSA-N 2 1 380.532 3.511 20 0 GHADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653588 841059318 /nfs/dbraw/zinc/05/93/18/841059318.db2.gz BXWUUGJJDAWXOF-ISKFKSNPSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653588 841059329 /nfs/dbraw/zinc/05/93/29/841059329.db2.gz BXWUUGJJDAWXOF-ISKFKSNPSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(-c3ccccc3)cc1)C2 ZINC000660653588 841059342 /nfs/dbraw/zinc/05/93/42/841059342.db2.gz BXWUUGJJDAWXOF-ISKFKSNPSA-N 2 1 380.532 3.511 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000548159769 841102523 /nfs/dbraw/zinc/10/25/23/841102523.db2.gz WHBQMWDCVHHAAX-UYAOXDASSA-N 2 1 378.520 3.632 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000548159769 841102530 /nfs/dbraw/zinc/10/25/30/841102530.db2.gz WHBQMWDCVHHAAX-UYAOXDASSA-N 2 1 378.520 3.632 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417836957 841216880 /nfs/dbraw/zinc/21/68/80/841216880.db2.gz LYUZLWWXHCDPIZ-UEVCKROQSA-N 2 1 394.563 3.819 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(F)c(Cl)c43)cn2)CC1 ZINC000651679353 841317600 /nfs/dbraw/zinc/31/76/00/841317600.db2.gz XXWJLODMZLWSOP-SFHVURJKSA-N 2 1 388.918 3.793 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000276211836 841378425 /nfs/dbraw/zinc/37/84/25/841378425.db2.gz KWGWWUFCWBOQJH-FXAWDEMLSA-N 2 1 393.597 3.687 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@H](C)C1 ZINC000651710246 841410070 /nfs/dbraw/zinc/41/00/70/841410070.db2.gz VOFHRDDUSPTZKB-XXBNENTESA-N 2 1 384.568 3.716 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)[C@H](C)C1 ZINC000651710246 841410079 /nfs/dbraw/zinc/41/00/79/841410079.db2.gz VOFHRDDUSPTZKB-XXBNENTESA-N 2 1 384.568 3.716 20 0 GHADMP C[N@@H+](CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000500124377 841497386 /nfs/dbraw/zinc/49/73/86/841497386.db2.gz NLIZQWUQSMOQHN-UHFFFAOYSA-N 2 1 394.563 3.604 20 0 GHADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651750667 841513936 /nfs/dbraw/zinc/51/39/36/841513936.db2.gz SGJWCNBLIXVMIX-UHFFFAOYSA-N 2 1 375.520 3.789 20 0 GHADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000651752334 841516601 /nfs/dbraw/zinc/51/66/01/841516601.db2.gz BEBYWMXFAXVZLU-UHFFFAOYSA-N 2 1 390.535 3.655 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000500162530 841545302 /nfs/dbraw/zinc/54/53/02/841545302.db2.gz QSAXOVYGXRKEGR-UHFFFAOYSA-N 2 1 394.563 3.556 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000510433371 841681937 /nfs/dbraw/zinc/68/19/37/841681937.db2.gz AXANCGYMJIEPDN-UHFFFAOYSA-N 2 1 379.504 3.876 20 0 GHADMP c1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2nnc(C4CC[NH2+]CC4)[nH]2)CCC3)cc1 ZINC000582116786 841794845 /nfs/dbraw/zinc/79/48/45/841794845.db2.gz FQFAQAWDBZDVEJ-INIZCTEOSA-N 2 1 394.548 3.562 20 0 GHADMP CC1(C)C[N@@H+](CC2(O)CCSCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000656700514 841824845 /nfs/dbraw/zinc/82/48/45/841824845.db2.gz PNAFUILPWRTSSE-OAQYLSRUSA-N 2 1 388.621 3.867 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001167822777 841975531 /nfs/dbraw/zinc/97/55/31/841975531.db2.gz JHVGZIYETPUICR-FQEVSTJZSA-N 3 1 393.641 3.925 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001167822777 841975542 /nfs/dbraw/zinc/97/55/42/841975542.db2.gz JHVGZIYETPUICR-FQEVSTJZSA-N 2 1 393.641 3.925 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001167823203 841996048 /nfs/dbraw/zinc/99/60/48/841996048.db2.gz BWSXZVHRZPGNIH-XXTHSBEZSA-N 2 1 389.584 3.588 20 0 GHADMP CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)[C@H](C)CCC[NH+](CC)CC)cn1 ZINC001167824012 842013752 /nfs/dbraw/zinc/01/37/52/842013752.db2.gz AVXUAEOUTDDDQO-GOSISDBHSA-N 2 1 388.604 3.766 20 0 GHADMP O=C1c2ccccc2[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N1Cc1ccccc1 ZINC000623643066 861269006 /nfs/dbraw/zinc/26/90/06/861269006.db2.gz LWQNUYTVZRJLRX-VIZSFHNOSA-N 2 1 375.516 3.600 20 0 GHADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(-c2ccccc2)cc1OC ZINC000432358233 842168273 /nfs/dbraw/zinc/16/82/73/842168273.db2.gz LGZOVPQRRUNJAC-IBGZPJMESA-N 2 1 398.547 3.961 20 0 GHADMP CC(C)c1ccc(C2(O)CCC([NH2+][C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)cc1 ZINC000925795180 842204387 /nfs/dbraw/zinc/20/43/87/842204387.db2.gz JOQHATLTPDZPKD-XERBYJISSA-N 2 1 386.580 3.689 20 0 GHADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2csc(Cl)c2Cl)cc1 ZINC000432233814 842256703 /nfs/dbraw/zinc/25/67/03/842256703.db2.gz SUBBAOIEOOYURS-UHFFFAOYSA-N 2 1 386.348 3.636 20 0 GHADMP CN(c1nc2cccc(OC(F)F)c2s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000663590615 842263979 /nfs/dbraw/zinc/26/39/79/842263979.db2.gz BMBCKBFGVDDCRU-AWEZNQCLSA-N 2 1 396.507 3.502 20 0 GHADMP CN(c1nc2cccc(OC(F)F)c2s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000663590615 842263990 /nfs/dbraw/zinc/26/39/90/842263990.db2.gz BMBCKBFGVDDCRU-AWEZNQCLSA-N 2 1 396.507 3.502 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)C1 ZINC000652345882 842313249 /nfs/dbraw/zinc/31/32/49/842313249.db2.gz OLWZGUXLMUDVRD-VIZSFHNOSA-N 2 1 393.531 3.510 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000652347753 842318704 /nfs/dbraw/zinc/31/87/04/842318704.db2.gz KRWPKNNCDVGILX-XPNTWCBSSA-N 2 1 393.531 3.657 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000652364074 842372119 /nfs/dbraw/zinc/37/21/19/842372119.db2.gz WVEJQDSSHMUIPZ-KCZVDYSFSA-N 2 1 390.531 3.862 20 0 GHADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000623657383 861302291 /nfs/dbraw/zinc/30/22/91/861302291.db2.gz PDIBAHXCRVKQSL-QGZVFWFLSA-N 2 1 380.458 3.772 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000623657383 861302310 /nfs/dbraw/zinc/30/23/10/861302310.db2.gz PDIBAHXCRVKQSL-QGZVFWFLSA-N 2 1 380.458 3.772 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000432409642 842401678 /nfs/dbraw/zinc/40/16/78/842401678.db2.gz HQIPVFRKTSHDSH-CUWPLCDZSA-N 2 1 378.532 3.951 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000432409642 842401682 /nfs/dbraw/zinc/40/16/82/842401682.db2.gz HQIPVFRKTSHDSH-CUWPLCDZSA-N 2 1 378.532 3.951 20 0 GHADMP Brc1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166862541 842405377 /nfs/dbraw/zinc/40/53/77/842405377.db2.gz JPZVVQSFSWUISQ-WOJBJXKFSA-N 2 1 392.385 3.630 20 0 GHADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCCCC2)s1 ZINC000512089660 842459541 /nfs/dbraw/zinc/45/95/41/842459541.db2.gz SSJPQNXTCWJXTC-UHFFFAOYSA-N 2 1 387.549 3.925 20 0 GHADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1=CC[N@@H+](C)CC1 ZINC000510484982 842496957 /nfs/dbraw/zinc/49/69/57/842496957.db2.gz ZLFTVPDCBAUYOP-VAMGGRTRSA-N 2 1 398.595 3.614 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047871487 842611202 /nfs/dbraw/zinc/61/12/02/842611202.db2.gz KYINEDJYCBVICM-NRFANRHFSA-N 2 1 398.551 3.756 20 0 GHADMP C[C@H](CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@@H]1CCC[NH2+]C1 ZINC000430697287 842763734 /nfs/dbraw/zinc/76/37/34/842763734.db2.gz AVGNJMWGYWJMEX-KIFXHHALSA-N 2 1 383.580 3.527 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1=CC[NH+](C)CC1 ZINC000510500803 842801630 /nfs/dbraw/zinc/80/16/30/842801630.db2.gz MCNNVCOYMZBXDV-RTBURBONSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000510500803 842801637 /nfs/dbraw/zinc/80/16/37/842801637.db2.gz MCNNVCOYMZBXDV-RTBURBONSA-N 2 1 384.568 3.511 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)C1=CC[N@@H+](C)CC1 ZINC000510500803 842801650 /nfs/dbraw/zinc/80/16/50/842801650.db2.gz MCNNVCOYMZBXDV-RTBURBONSA-N 2 1 384.568 3.511 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000178340390 861354904 /nfs/dbraw/zinc/35/49/04/861354904.db2.gz JCDQHBFVMNNBFA-KRWDZBQOSA-N 2 1 395.613 3.631 20 0 GHADMP COc1ccccc1-n1nccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000430766961 842953777 /nfs/dbraw/zinc/95/37/77/842953777.db2.gz IMGZKLHDRSBIFV-UHFFFAOYSA-N 2 1 391.519 3.624 20 0 GHADMP FC(F)(F)c1cccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662256457 843022028 /nfs/dbraw/zinc/02/20/28/843022028.db2.gz JMCNRKAYUDXZKA-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP FC(F)(F)c1cccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c1 ZINC000662256457 843022037 /nfs/dbraw/zinc/02/20/37/843022037.db2.gz JMCNRKAYUDXZKA-FQEVSTJZSA-N 2 1 376.422 3.925 20 0 GHADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccc5c4CC[NH2+]C5)C3)n2)c1 ZINC000662255719 843026846 /nfs/dbraw/zinc/02/68/46/843026846.db2.gz CROLPLGZHZJMFA-IBGZPJMESA-N 2 1 392.478 3.901 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(C(C)C)c(C)s3)CC2)CC1 ZINC000617247489 843055609 /nfs/dbraw/zinc/05/56/09/843055609.db2.gz HKTRJRNWJCNYLN-UHFFFAOYSA-N 2 1 378.586 3.710 20 0 GHADMP COc1c(F)cccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001143523364 843076351 /nfs/dbraw/zinc/07/63/51/843076351.db2.gz JKRCSELWGWUWOT-SFHVURJKSA-N 2 1 388.483 3.683 20 0 GHADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295999 843092889 /nfs/dbraw/zinc/09/28/89/843092889.db2.gz JSYOMCLDDIHVNB-NEWSRXKRSA-N 2 1 375.582 3.512 20 0 GHADMP Fc1cc2cccnc2c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000662327126 843141957 /nfs/dbraw/zinc/14/19/57/843141957.db2.gz KADMTLAWIYFTAV-UHFFFAOYSA-N 2 1 393.510 3.944 20 0 GHADMP C[NH2+][C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662348098 843154751 /nfs/dbraw/zinc/15/47/51/843154751.db2.gz NQWAQAZTFJEPKG-BBRMVZONSA-N 2 1 386.348 3.735 20 0 GHADMP FC(F)Oc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327462 843157433 /nfs/dbraw/zinc/15/74/33/843157433.db2.gz OSSNQHJDERSSAL-UHFFFAOYSA-N 2 1 390.478 3.858 20 0 GHADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc4c(ccn4CCC[NH3+])c3)c2C1 ZINC000430899136 843163489 /nfs/dbraw/zinc/16/34/89/843163489.db2.gz YYFXNWZVRLQLGD-UHFFFAOYSA-N 2 1 376.504 3.968 20 0 GHADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc4c(ccn4CCC[NH3+])c3)c2C1 ZINC000430899136 843163493 /nfs/dbraw/zinc/16/34/93/843163493.db2.gz YYFXNWZVRLQLGD-UHFFFAOYSA-N 2 1 376.504 3.968 20 0 GHADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc2)CC1 ZINC000182302986 843164525 /nfs/dbraw/zinc/16/45/25/843164525.db2.gz JXBRRHFHOJGNKR-XZOQPEGZSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000662389650 843176101 /nfs/dbraw/zinc/17/61/01/843176101.db2.gz YTXLZZJHDLODSA-JPYJTQIMSA-N 2 1 377.532 3.769 20 0 GHADMP COC1(c2noc(CC3CC[NH+](CCC[NH+]4CCCCC4)CC3)n2)CCCC1 ZINC000662377231 843176213 /nfs/dbraw/zinc/17/62/13/843176213.db2.gz LPKOJUOYEAMGGL-UHFFFAOYSA-N 2 1 390.572 3.616 20 0 GHADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC000512245896 843205116 /nfs/dbraw/zinc/20/51/16/843205116.db2.gz SUDDAPWKCDCSND-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC000512245896 843205123 /nfs/dbraw/zinc/20/51/23/843205123.db2.gz SUDDAPWKCDCSND-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC000512245896 843205131 /nfs/dbraw/zinc/20/51/31/843205131.db2.gz SUDDAPWKCDCSND-HSZRJFAPSA-N 2 1 381.495 3.752 20 0 GHADMP Cc1ccc(C)c(OCC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000430942354 843221990 /nfs/dbraw/zinc/22/19/90/843221990.db2.gz CJHXRLMSCLSHQH-UHFFFAOYSA-N 2 1 387.612 3.810 20 0 GHADMP Cc1ccc(C)c(OCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430942354 843221998 /nfs/dbraw/zinc/22/19/98/843221998.db2.gz CJHXRLMSCLSHQH-UHFFFAOYSA-N 3 1 387.612 3.810 20 0 GHADMP Cc1ccc(C)c(OCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000430942354 843222007 /nfs/dbraw/zinc/22/20/07/843222007.db2.gz CJHXRLMSCLSHQH-UHFFFAOYSA-N 3 1 387.612 3.810 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000548408066 843256023 /nfs/dbraw/zinc/25/60/23/843256023.db2.gz GJDZAHQNMORIBA-NRFANRHFSA-N 2 1 385.939 3.969 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000178703861 861399102 /nfs/dbraw/zinc/39/91/02/861399102.db2.gz HKFULORFOKOJIE-HOTGVXAUSA-N 2 1 376.932 3.508 20 0 GHADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000512295716 843340491 /nfs/dbraw/zinc/34/04/91/843340491.db2.gz URLZULMEXWFHSM-VWLOTQADSA-N 2 1 397.607 3.869 20 0 GHADMP CC(CC[NH+]1CCC[C@H](c2cc[nH]n2)C1)CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000662504953 843350941 /nfs/dbraw/zinc/35/09/41/843350941.db2.gz NNOMFXZPGXLNEX-PMACEKPBSA-N 2 1 384.572 3.608 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000500442294 843357342 /nfs/dbraw/zinc/35/73/42/843357342.db2.gz TUFKOJMANJMRQH-IGKWTDBASA-N 2 1 379.548 3.854 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)cc1)C1CC1 ZINC000510728793 843358057 /nfs/dbraw/zinc/35/80/57/843358057.db2.gz BOOZIRUDYJZZPX-LJQANCHMSA-N 2 1 391.559 3.848 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1)C1CC1 ZINC000510728793 843358062 /nfs/dbraw/zinc/35/80/62/843358062.db2.gz BOOZIRUDYJZZPX-LJQANCHMSA-N 2 1 391.559 3.848 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1)C1CC1 ZINC000510728793 843358068 /nfs/dbraw/zinc/35/80/68/843358068.db2.gz BOOZIRUDYJZZPX-LJQANCHMSA-N 2 1 391.559 3.848 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418661111 843510205 /nfs/dbraw/zinc/51/02/05/843510205.db2.gz PAPUOXDJHISXHG-GGAORHGYSA-N 2 1 394.563 3.630 20 0 GHADMP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1F ZINC000555617484 861435486 /nfs/dbraw/zinc/43/54/86/861435486.db2.gz FGAKQNBOQPXDTQ-HXUWFJFHSA-N 2 1 386.486 3.983 20 0 GHADMP CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000604209277 843652905 /nfs/dbraw/zinc/65/29/05/843652905.db2.gz NKPFTUPXAPRECU-WWNPGLIZSA-N 2 1 398.595 3.523 20 0 GHADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000663464879 843660704 /nfs/dbraw/zinc/66/07/04/843660704.db2.gz GPASLHIVUFYUSK-MJGOQNOKSA-N 2 1 376.541 3.875 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001167821047 843691340 /nfs/dbraw/zinc/69/13/40/843691340.db2.gz AEBOXBSPWGITOW-GCJKJVERSA-N 2 1 375.532 3.765 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@H]2[C@H](OCc3cccc(C)n3)CC[C@@H]21 ZINC001167821096 843697010 /nfs/dbraw/zinc/69/70/10/843697010.db2.gz AQMXPXJPCNISED-CWKRKGSWSA-N 2 1 389.584 3.649 20 0 GHADMP C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182395248 843734134 /nfs/dbraw/zinc/73/41/34/843734134.db2.gz GGAOSMHUULZGLI-DENIHFKCSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000512427009 843755645 /nfs/dbraw/zinc/75/56/45/843755645.db2.gz KCTZRSFQCYADSD-HDICACEKSA-N 2 1 376.516 3.610 20 0 GHADMP FC1(F)CCC[C@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000512444086 843817592 /nfs/dbraw/zinc/81/75/92/843817592.db2.gz KMQBWNZWYQPEPV-SFTDATJTSA-N 2 1 377.523 3.704 20 0 GHADMP Cc1ccc(C)c(OCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512455869 843857642 /nfs/dbraw/zinc/85/76/42/843857642.db2.gz JLFHERWARKAISM-DEOSSOPVSA-N 2 1 393.575 3.574 20 0 GHADMP Cc1ccc(C)c(OCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512455869 843857655 /nfs/dbraw/zinc/85/76/55/843857655.db2.gz JLFHERWARKAISM-DEOSSOPVSA-N 2 1 393.575 3.574 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@@H]3/C=C/c3ccccc3)cn2)CC1 ZINC000535825899 844706787 /nfs/dbraw/zinc/70/67/87/844706787.db2.gz ZBULIXZGJMHDTP-HRBBJJPOSA-N 2 1 391.563 3.686 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@@H]3/C=C/c3ccccc3)cn2)CC1 ZINC000535825899 844706792 /nfs/dbraw/zinc/70/67/92/844706792.db2.gz ZBULIXZGJMHDTP-HRBBJJPOSA-N 2 1 391.563 3.686 20 0 GHADMP C[N@@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513155239 844708486 /nfs/dbraw/zinc/70/84/86/844708486.db2.gz VFSOXIJHKYGBOW-HNTVYWHESA-N 2 1 380.532 3.650 20 0 GHADMP C[NH+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513155239 844708491 /nfs/dbraw/zinc/70/84/91/844708491.db2.gz VFSOXIJHKYGBOW-HNTVYWHESA-N 2 1 380.532 3.650 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccs1 ZINC000512626574 844803891 /nfs/dbraw/zinc/80/38/91/844803891.db2.gz VJMWFCBEYJMCJK-QHAWAJNXSA-N 2 1 397.588 3.758 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000512740214 845291191 /nfs/dbraw/zinc/29/11/91/845291191.db2.gz NSNYILOWIQAVEJ-YKSBVNFPSA-N 2 1 393.575 3.820 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000512740214 845291225 /nfs/dbraw/zinc/29/12/25/845291225.db2.gz NSNYILOWIQAVEJ-YKSBVNFPSA-N 2 1 393.575 3.820 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000179394478 861562609 /nfs/dbraw/zinc/56/26/09/861562609.db2.gz HUXDVEIIWMZKOU-UHFFFAOYSA-N 2 1 399.539 3.544 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000179397676 861564079 /nfs/dbraw/zinc/56/40/79/861564079.db2.gz PHNPFPVZBSOJIF-HSZRJFAPSA-N 2 1 392.547 3.640 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3OC)C2)CC1 ZINC000513478578 845515299 /nfs/dbraw/zinc/51/52/99/845515299.db2.gz DWWJHLMMNXUFPA-HSZRJFAPSA-N 2 1 379.548 3.574 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@](C)(OC)C2)cc(C[N@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000433181449 845618975 /nfs/dbraw/zinc/61/89/75/845618975.db2.gz JZHCKSLYQQPQEX-DHIUTWEWSA-N 2 1 390.568 3.697 20 0 GHADMP C[C@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001167529344 846076316 /nfs/dbraw/zinc/07/63/16/846076316.db2.gz JEXMWKCQDQWAKY-REWPJTCUSA-N 2 1 385.596 3.773 20 0 GHADMP Cc1cccn2cc(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc12 ZINC000934282616 846319598 /nfs/dbraw/zinc/31/95/98/846319598.db2.gz PXHLDOOKDVVCQB-UHFFFAOYSA-N 2 1 396.579 3.516 20 0 GHADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000582098341 846347923 /nfs/dbraw/zinc/34/79/23/846347923.db2.gz BUHITKTZIAERIO-UHFFFAOYSA-N 2 1 388.556 3.560 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)CC2)CC1 ZINC000502788047 846465932 /nfs/dbraw/zinc/46/59/32/846465932.db2.gz GAVKQNCXPYNKAJ-VNXZQDSDSA-N 2 1 398.595 3.728 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)CC2)CC1 ZINC000502788047 846465935 /nfs/dbraw/zinc/46/59/35/846465935.db2.gz GAVKQNCXPYNKAJ-VNXZQDSDSA-N 2 1 398.595 3.728 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@H]1C ZINC000502785115 846485931 /nfs/dbraw/zinc/48/59/31/846485931.db2.gz RPCNUEBFLYQLMH-UEKLYDJUSA-N 2 1 378.605 3.544 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000502838071 846508766 /nfs/dbraw/zinc/50/87/66/846508766.db2.gz CKHWKTPHEGZZNY-DENIHFKCSA-N 2 1 388.600 3.806 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC000501022397 846557387 /nfs/dbraw/zinc/55/73/87/846557387.db2.gz JDIVDBMENXVNFE-YLJYHZDGSA-N 2 1 392.975 3.508 20 0 GHADMP Cc1[nH]c2ccccc2c1C1=CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000501026256 846561750 /nfs/dbraw/zinc/56/17/50/846561750.db2.gz VMAWHIBJJGSYHR-UHFFFAOYSA-N 2 1 380.580 3.982 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000502893757 846586399 /nfs/dbraw/zinc/58/63/99/846586399.db2.gz IRIFCGARUXGRND-VQTJNVASSA-N 2 1 390.572 3.618 20 0 GHADMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501066041 846597416 /nfs/dbraw/zinc/59/74/16/846597416.db2.gz CDDVFKUSHWMGRW-GOSISDBHSA-N 2 1 396.535 3.656 20 0 GHADMP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501067660 846599110 /nfs/dbraw/zinc/59/91/10/846599110.db2.gz IKTOCQRXCWBIHA-QGZVFWFLSA-N 2 1 398.576 3.979 20 0 GHADMP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501085826 846628972 /nfs/dbraw/zinc/62/89/72/846628972.db2.gz IKVFFEDSPRRHGO-LJQANCHMSA-N 2 1 392.547 3.598 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1)c1ccccc1 ZINC000502957038 846663309 /nfs/dbraw/zinc/66/33/09/846663309.db2.gz DRXRFDKGWIVZJU-CEWLAPEOSA-N 2 1 384.568 3.576 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(N[C@@H]3CCN(c4ccccc4)C3=O)cc2)CC1 ZINC000161196372 846707715 /nfs/dbraw/zinc/70/77/15/846707715.db2.gz AXTAGSFVRSAWAM-HSZRJFAPSA-N 2 1 392.547 3.682 20 0 GHADMP COC(=O)[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccccc1 ZINC000161197716 846710065 /nfs/dbraw/zinc/71/00/65/846710065.db2.gz ZFYNLGJNIUCXIV-QFIPXVFZSA-N 2 1 381.520 3.791 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@H](C)C1 ZINC000503031029 846732779 /nfs/dbraw/zinc/73/27/79/846732779.db2.gz IBAWYBMDQPJPBL-IAQYHMDHSA-N 2 1 392.712 3.765 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(Cl)c2)[C@H](C)C1 ZINC000503031029 846732783 /nfs/dbraw/zinc/73/27/83/846732783.db2.gz IBAWYBMDQPJPBL-IAQYHMDHSA-N 2 1 392.712 3.765 20 0 GHADMP COc1cc2c(NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cc[nH+]c2cc1F ZINC000664236246 846765077 /nfs/dbraw/zinc/76/50/77/846765077.db2.gz IHLCSYPVWLBJEU-KRWDZBQOSA-N 2 1 381.451 3.561 20 0 GHADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000120049010 846805033 /nfs/dbraw/zinc/80/50/33/846805033.db2.gz ZXAVYTROCXTYSZ-GOSISDBHSA-N 2 1 386.565 3.843 20 0 GHADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000582304248 846824152 /nfs/dbraw/zinc/82/41/52/846824152.db2.gz GSVDGYJHAZRIIN-XUWXXGDYSA-N 2 1 378.467 3.711 20 0 GHADMP CSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501495336 846964313 /nfs/dbraw/zinc/96/43/13/846964313.db2.gz NXTOXRSYDFLRGM-HBFSDRIKSA-N 2 1 397.588 3.838 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000559919969 846999280 /nfs/dbraw/zinc/99/92/80/846999280.db2.gz RUAIEOODHSMIDI-MNZGCLKASA-N 3 1 387.612 3.909 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000559919969 846999286 /nfs/dbraw/zinc/99/92/86/846999286.db2.gz RUAIEOODHSMIDI-MNZGCLKASA-N 3 1 387.612 3.909 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000559919969 846999294 /nfs/dbraw/zinc/99/92/94/846999294.db2.gz RUAIEOODHSMIDI-MNZGCLKASA-N 3 1 387.612 3.909 20 0 GHADMP C[C@@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272378394 847063851 /nfs/dbraw/zinc/06/38/51/847063851.db2.gz HJBUDEWOCZQBFM-CTNGQTDRSA-N 2 1 398.595 3.603 20 0 GHADMP O=C(C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Cl)cc1)Nc1ccccc1F ZINC000420295848 847090195 /nfs/dbraw/zinc/09/01/95/847090195.db2.gz AZNIVZIEXJTJES-MRXNPFEDSA-N 2 1 389.902 3.919 20 0 GHADMP CCc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2C)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272529009 847102092 /nfs/dbraw/zinc/10/20/92/847102092.db2.gz ZFTFUPSVXXEKNO-JOCHJYFZSA-N 2 1 397.544 3.537 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272552328 847108639 /nfs/dbraw/zinc/10/86/39/847108639.db2.gz FLSTVNIQQDATOQ-GBXCKJPGSA-N 2 1 391.559 3.809 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000272598381 847121997 /nfs/dbraw/zinc/12/19/97/847121997.db2.gz WZNVLQPHKOMTAE-UHFFFAOYSA-N 2 1 383.540 3.908 20 0 GHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420354944 847136220 /nfs/dbraw/zinc/13/62/20/847136220.db2.gz DQIWPPJSQLRINA-IRXDYDNUSA-N 2 1 384.351 3.635 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272682512 847143801 /nfs/dbraw/zinc/14/38/01/847143801.db2.gz SUBMGSYAMSLVPK-RXVVDRJESA-N 2 1 381.520 3.524 20 0 GHADMP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000582423452 847198089 /nfs/dbraw/zinc/19/80/89/847198089.db2.gz YUWWJKYHPHIZER-GOSISDBHSA-N 2 1 397.485 3.564 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)c(OC)c1 ZINC000126371698 847423718 /nfs/dbraw/zinc/42/37/18/847423718.db2.gz JAGFCVNTEMQBBU-JXFKEZNVSA-N 2 1 391.556 3.521 20 0 GHADMP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937981 847557095 /nfs/dbraw/zinc/55/70/95/847557095.db2.gz MDWHTPPOJVFQPP-QFIPXVFZSA-N 2 1 390.531 3.533 20 0 GHADMP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937981 847557103 /nfs/dbraw/zinc/55/71/03/847557103.db2.gz MDWHTPPOJVFQPP-QFIPXVFZSA-N 2 1 390.531 3.533 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000563388606 847558405 /nfs/dbraw/zinc/55/84/05/847558405.db2.gz ZCKIXSQVZAYCHD-HXUWFJFHSA-N 2 1 385.596 3.547 20 0 GHADMP c1ccc2c(c1)CC1(CCOCC1)[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420967913 847578764 /nfs/dbraw/zinc/57/87/64/847578764.db2.gz UUVCPHCJNLTWAI-DEOSSOPVSA-N 2 1 392.543 3.703 20 0 GHADMP CCCn1nccc1C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420960436 847580615 /nfs/dbraw/zinc/58/06/15/847580615.db2.gz HSXWVBLFQNCJGN-UHFFFAOYSA-N 2 1 382.552 3.505 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+](C)CC4CC[NH+](C)CC4)cc3)nc12 ZINC000513733956 847597824 /nfs/dbraw/zinc/59/78/24/847597824.db2.gz XYSVCYUNMBOLFI-UHFFFAOYSA-N 2 1 392.547 3.995 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C)cc3Cl)CC2)CC1 ZINC000421035379 847634608 /nfs/dbraw/zinc/63/46/08/847634608.db2.gz LQZKQDMLWASUIC-UHFFFAOYSA-N 2 1 378.948 3.672 20 0 GHADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C)cc3Cl)CC2)CC1 ZINC000421035379 847634614 /nfs/dbraw/zinc/63/46/14/847634614.db2.gz LQZKQDMLWASUIC-UHFFFAOYSA-N 2 1 378.948 3.672 20 0 GHADMP OCC[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](CCO)CC3)cc2)CC1 ZINC000421017495 847639176 /nfs/dbraw/zinc/63/91/76/847639176.db2.gz NIKFBVWIECKGGY-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP OCC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](CCO)CC3)cc2)CC1 ZINC000421017495 847639181 /nfs/dbraw/zinc/63/91/81/847639181.db2.gz NIKFBVWIECKGGY-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP OCC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](CCO)CC3)cc2)CC1 ZINC000421017495 847639187 /nfs/dbraw/zinc/63/91/87/847639187.db2.gz NIKFBVWIECKGGY-SZPZYZBQSA-N 2 1 388.596 3.656 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000048750388 847690471 /nfs/dbraw/zinc/69/04/71/847690471.db2.gz HDEUADBSEUCTMN-UHFFFAOYSA-N 2 1 386.503 3.678 20 0 GHADMP COc1cc(C)c(C[C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1OC ZINC000502268097 847697992 /nfs/dbraw/zinc/69/79/92/847697992.db2.gz LJWVUPOCHNDFMV-SFHVURJKSA-N 2 1 383.536 3.905 20 0 GHADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000422631469 847741621 /nfs/dbraw/zinc/74/16/21/847741621.db2.gz FONFLYHBYWLLNV-XPDMDZMYSA-N 2 1 397.588 3.527 20 0 GHADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000422631469 847741629 /nfs/dbraw/zinc/74/16/29/847741629.db2.gz FONFLYHBYWLLNV-XPDMDZMYSA-N 2 1 397.588 3.527 20 0 GHADMP COc1cc(F)c([C@H](C)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000422732300 847786892 /nfs/dbraw/zinc/78/68/92/847786892.db2.gz PMTJAOUJEQXTMG-SDYXESRWSA-N 2 1 386.467 3.749 20 0 GHADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422800373 847828706 /nfs/dbraw/zinc/82/87/06/847828706.db2.gz ZYXFXPCNMWGJFC-IQUTYRLHSA-N 2 1 380.941 3.548 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000626062094 847841769 /nfs/dbraw/zinc/84/17/69/847841769.db2.gz GZBHBGYBOWETDZ-HNNXBMFYSA-N 2 1 375.463 3.876 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[NH+](CC)CC)cc1 ZINC000431465497 847859402 /nfs/dbraw/zinc/85/94/02/847859402.db2.gz QMXIBGMPPWFRHJ-XMSQKQJNSA-N 2 1 386.584 3.582 20 0 GHADMP COc1ccc([C@H](NCc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422896750 847889806 /nfs/dbraw/zinc/88/98/06/847889806.db2.gz AWRNHBVEGUFZJN-GGAORHGYSA-N 2 1 394.494 3.911 20 0 GHADMP Brc1ccsc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422945988 847909301 /nfs/dbraw/zinc/90/93/01/847909301.db2.gz OBMYAJXRQVRDMF-WMLDXEAASA-N 2 1 379.323 3.856 20 0 GHADMP COc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1OC ZINC000422950555 847912258 /nfs/dbraw/zinc/91/22/58/847912258.db2.gz YJBUIZBXAYVYGT-BHYGNILZSA-N 2 1 397.357 3.867 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(C2CCCC2)c1 ZINC000502475660 847931601 /nfs/dbraw/zinc/93/16/01/847931601.db2.gz KXWQNRCNHBIQEU-MBSDFSHPSA-N 2 1 382.552 3.806 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000075007459 848168989 /nfs/dbraw/zinc/16/89/89/848168989.db2.gz RZCLNVVDDSCIKX-UHFFFAOYSA-N 2 1 375.376 3.833 20 0 GHADMP COc1cc(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657594804 848289181 /nfs/dbraw/zinc/28/91/81/848289181.db2.gz CLXIGGFEJXCEFX-QGZVFWFLSA-N 2 1 395.330 3.858 20 0 GHADMP CC(C)[C@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000604164213 861912631 /nfs/dbraw/zinc/91/26/31/861912631.db2.gz BAOLKPAPHJQDIE-QUCCMNQESA-N 2 1 392.975 3.505 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000472269004 848555322 /nfs/dbraw/zinc/55/53/22/848555322.db2.gz SDJMXZZWSJPYIY-HXUWFJFHSA-N 2 1 383.536 3.601 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC[N@H+]1Cc1ccccc1 ZINC000582862897 848577713 /nfs/dbraw/zinc/57/77/13/848577713.db2.gz WQRCGGMGHNCNLP-DENIHFKCSA-N 2 1 397.567 3.524 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000582862897 848577728 /nfs/dbraw/zinc/57/77/28/848577728.db2.gz WQRCGGMGHNCNLP-DENIHFKCSA-N 2 1 397.567 3.524 20 0 GHADMP C[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000167307293 861943026 /nfs/dbraw/zinc/94/30/26/861943026.db2.gz KTLYUCLONIVYHS-XXBNENTESA-N 2 1 379.548 3.693 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511226658 848908113 /nfs/dbraw/zinc/90/81/13/848908113.db2.gz CFTMQDAGKMRWJZ-IEIRFRATSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511226658 848908120 /nfs/dbraw/zinc/90/81/20/848908120.db2.gz CFTMQDAGKMRWJZ-IEIRFRATSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511226658 848908126 /nfs/dbraw/zinc/90/81/26/848908126.db2.gz CFTMQDAGKMRWJZ-IEIRFRATSA-N 2 1 398.595 3.555 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC(C(F)(F)F)CC3)c2)C1 ZINC000123209101 849078691 /nfs/dbraw/zinc/07/86/91/849078691.db2.gz WAWNRDILSKKWDQ-LMDPOFIKSA-N 2 1 397.485 3.595 20 0 GHADMP CC(C)c1ccc(CN(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C2CC2)cc1 ZINC000604210191 861993690 /nfs/dbraw/zinc/99/36/90/861993690.db2.gz YKHXEIBDQRXDQS-OAQYLSRUSA-N 2 1 398.595 3.653 20 0 GHADMP CC(C)c1ccc(CN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)cc1 ZINC000604210191 861993696 /nfs/dbraw/zinc/99/36/96/861993696.db2.gz YKHXEIBDQRXDQS-OAQYLSRUSA-N 2 1 398.595 3.653 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414853126 849756578 /nfs/dbraw/zinc/75/65/78/849756578.db2.gz RWLAUCLWYKYTIA-CXAGYDPISA-N 2 1 382.346 3.663 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000423148431 849760811 /nfs/dbraw/zinc/76/08/11/849760811.db2.gz GAGACZVMJAEDLK-FDDCHVKYSA-N 2 1 386.584 3.510 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2c[nH]c3ccc(F)cc23)[C@H](C)C1 ZINC000503924257 849764178 /nfs/dbraw/zinc/76/41/78/849764178.db2.gz HWAPFHCUXUVITR-DYESRHJHSA-N 2 1 375.532 3.966 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H](C)C1 ZINC000423424075 849906467 /nfs/dbraw/zinc/90/64/67/849906467.db2.gz CJSJEKDCEQDCBV-UXPWSPDFSA-N 2 1 375.557 3.598 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)[C@H](C)C1 ZINC000423424075 849906476 /nfs/dbraw/zinc/90/64/76/849906476.db2.gz CJSJEKDCEQDCBV-UXPWSPDFSA-N 2 1 375.557 3.598 20 0 GHADMP Brc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)s1 ZINC000423503101 849946600 /nfs/dbraw/zinc/94/66/00/849946600.db2.gz DQDDEQSTNDXQSL-JTTJXQCZSA-N 2 1 398.414 3.768 20 0 GHADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414747370 849946982 /nfs/dbraw/zinc/94/69/82/849946982.db2.gz RTRAPOFBMQNHHS-OALUTQOASA-N 2 1 395.547 3.552 20 0 GHADMP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423508419 849949235 /nfs/dbraw/zinc/94/92/35/849949235.db2.gz LEWMSAIIQLZPJO-FTWXPCQCSA-N 2 1 375.988 3.857 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423830828 850079330 /nfs/dbraw/zinc/07/93/30/850079330.db2.gz QGUJPLUMFYIWMG-ZCNNSNEGSA-N 2 1 385.939 3.928 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423830828 850079336 /nfs/dbraw/zinc/07/93/36/850079336.db2.gz QGUJPLUMFYIWMG-ZCNNSNEGSA-N 2 1 385.939 3.928 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C3(CCC3)C2)cc1 ZINC000668713391 850280518 /nfs/dbraw/zinc/28/05/18/850280518.db2.gz OOLUJLMZORGVDX-JOCHJYFZSA-N 3 1 390.575 3.942 20 0 GHADMP c1ccc(CN2C[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C3(CCC3)C2)cc1 ZINC000668713391 850280521 /nfs/dbraw/zinc/28/05/21/850280521.db2.gz OOLUJLMZORGVDX-JOCHJYFZSA-N 2 1 390.575 3.942 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)c1 ZINC000424291336 850335749 /nfs/dbraw/zinc/33/57/49/850335749.db2.gz NNERNAWCCITLLS-HNNXBMFYSA-N 2 1 385.533 3.561 20 0 GHADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000424301108 850342880 /nfs/dbraw/zinc/34/28/80/850342880.db2.gz XAFFQIAXPFKYLF-UONOGXRCSA-N 2 1 384.351 3.635 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000424301516 850343155 /nfs/dbraw/zinc/34/31/55/850343155.db2.gz XMWKLPNMJSUUOF-KBPBESRZSA-N 2 1 384.351 3.635 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)CCCc2ccccc2)cc1 ZINC000424334515 850369592 /nfs/dbraw/zinc/36/95/92/850369592.db2.gz WVFALIJFJMBNAG-IBGZPJMESA-N 2 1 390.531 3.970 20 0 GHADMP COc1ccc(OCc2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cs2)cc1 ZINC000424368975 850409936 /nfs/dbraw/zinc/40/99/36/850409936.db2.gz AZLWHJSLWNHQEX-INIZCTEOSA-N 2 1 387.549 3.695 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)CC[NH2+]CC2 ZINC000424372852 850412880 /nfs/dbraw/zinc/41/28/80/850412880.db2.gz FZTFWDYPXYDAFA-APWZRJJASA-N 2 1 378.944 3.862 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(-c3cccc(Cl)c3Cl)nn1)CC[NH2+]CC2 ZINC000424383326 850421745 /nfs/dbraw/zinc/42/17/45/850421745.db2.gz UCWVOQFVXWRFLQ-CYBMUJFWSA-N 2 1 380.323 3.538 20 0 GHADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435379894 850445370 /nfs/dbraw/zinc/44/53/70/850445370.db2.gz LBMPDWLGCKXEDX-WIYYLYMNSA-N 2 1 375.520 3.553 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000481724024 862130425 /nfs/dbraw/zinc/13/04/25/862130425.db2.gz LVCBBDHBWHLJKR-XWGVYQGASA-N 2 1 387.612 3.859 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000443898848 862143274 /nfs/dbraw/zinc/14/32/74/862143274.db2.gz IWGJLLSSVOFHRU-QUCCMNQESA-N 2 1 390.572 3.744 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000443898846 862143680 /nfs/dbraw/zinc/14/36/80/862143680.db2.gz IWGJLLSSVOFHRU-AZUAARDMSA-N 2 1 390.572 3.744 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000515017917 850598912 /nfs/dbraw/zinc/59/89/12/850598912.db2.gz ABQYVESCCOWGBP-LEWJYISDSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000515017917 850598922 /nfs/dbraw/zinc/59/89/22/850598922.db2.gz ABQYVESCCOWGBP-LEWJYISDSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000515017917 850598929 /nfs/dbraw/zinc/59/89/29/850598929.db2.gz ABQYVESCCOWGBP-LEWJYISDSA-N 2 1 395.522 3.917 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)NCC[N@@H+](C)C3CCCC3)c2)CC1 ZINC000519155179 850682262 /nfs/dbraw/zinc/68/22/62/850682262.db2.gz RCIUXJBXTQNRKJ-UHFFFAOYSA-N 2 1 386.584 3.592 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@H]2c2cccs2)CC1 ZINC000519287200 850842850 /nfs/dbraw/zinc/84/28/50/850842850.db2.gz YKZADZHZVVVPRT-NRFANRHFSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2c2cccs2)CC1 ZINC000519287200 850842854 /nfs/dbraw/zinc/84/28/54/850842854.db2.gz YKZADZHZVVVPRT-NRFANRHFSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2c2cccs2)CC1 ZINC000519287200 850842862 /nfs/dbraw/zinc/84/28/62/850842862.db2.gz YKZADZHZVVVPRT-NRFANRHFSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000519287200 850842880 /nfs/dbraw/zinc/84/28/80/850842880.db2.gz YKZADZHZVVVPRT-NRFANRHFSA-N 2 1 397.588 3.928 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)C[C@H](C)O1 ZINC000435784675 850871288 /nfs/dbraw/zinc/87/12/88/850871288.db2.gz HDUVSXDFFIGTNN-BGYRXZFFSA-N 2 1 382.552 3.829 20 0 GHADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513822143 850916192 /nfs/dbraw/zinc/91/61/92/850916192.db2.gz XCADLYCWYUPRIX-LJQANCHMSA-N 2 1 387.568 3.571 20 0 GHADMP Brc1cccc2c1CC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000513864319 850943314 /nfs/dbraw/zinc/94/33/14/850943314.db2.gz SANFWCOUJIRCDY-SFHVURJKSA-N 2 1 379.342 3.671 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000732281372 862189013 /nfs/dbraw/zinc/18/90/13/862189013.db2.gz BGEOCBHIHGWVFL-UHFFFAOYSA-N 2 1 377.598 3.994 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000515384508 850974382 /nfs/dbraw/zinc/97/43/82/850974382.db2.gz SWAZEAWCQWCBPM-GOSISDBHSA-N 2 1 397.519 3.636 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487961748 851029727 /nfs/dbraw/zinc/02/97/27/851029727.db2.gz OETHAISXIFFRGU-LJQANCHMSA-N 2 1 397.538 3.735 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000487961748 851029735 /nfs/dbraw/zinc/02/97/35/851029735.db2.gz OETHAISXIFFRGU-LJQANCHMSA-N 2 1 397.538 3.735 20 0 GHADMP Cc1ncsc1C[N@H+](CCCOc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000436058997 851157516 /nfs/dbraw/zinc/15/75/16/851157516.db2.gz MLYDYDZEGLEUAH-INIZCTEOSA-N 2 1 379.957 3.986 20 0 GHADMP Cc1ncsc1C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000436058997 851157521 /nfs/dbraw/zinc/15/75/21/851157521.db2.gz MLYDYDZEGLEUAH-INIZCTEOSA-N 2 1 379.957 3.986 20 0 GHADMP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000488321335 851391569 /nfs/dbraw/zinc/39/15/69/851391569.db2.gz GXMXBCCVWIDYGI-FQEVSTJZSA-N 2 1 385.596 3.870 20 0 GHADMP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000515722293 851394285 /nfs/dbraw/zinc/39/42/85/851394285.db2.gz MWROJTJROBPVSH-NRFANRHFSA-N 2 1 399.583 3.587 20 0 GHADMP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000515722293 851394292 /nfs/dbraw/zinc/39/42/92/851394292.db2.gz MWROJTJROBPVSH-NRFANRHFSA-N 2 1 399.583 3.587 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436289504 851423232 /nfs/dbraw/zinc/42/32/32/851423232.db2.gz XEHGYXIELRMKTG-MALNDZBISA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000436289504 851423242 /nfs/dbraw/zinc/42/32/42/851423242.db2.gz XEHGYXIELRMKTG-MALNDZBISA-N 2 1 383.580 3.668 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000519552327 851526298 /nfs/dbraw/zinc/52/62/98/851526298.db2.gz ZPRZCCCFZAWJCJ-URVUXULASA-N 2 1 387.474 3.695 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000519552327 851526304 /nfs/dbraw/zinc/52/63/04/851526304.db2.gz ZPRZCCCFZAWJCJ-URVUXULASA-N 2 1 387.474 3.695 20 0 GHADMP F[C@@H]1CC2(CC[C@@H]1[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCCO2 ZINC000894600911 851758008 /nfs/dbraw/zinc/75/80/08/851758008.db2.gz NOIVCWCVUJZWOS-RTWAWAEBSA-N 2 1 388.527 3.608 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000517543230 852073738 /nfs/dbraw/zinc/07/37/38/852073738.db2.gz NXEKXIWOSCARGC-PMACEKPBSA-N 2 1 394.648 3.896 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982801 852101704 /nfs/dbraw/zinc/10/17/04/852101704.db2.gz AVCOKSUKDUBYEB-BMHONFFRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982801 852101709 /nfs/dbraw/zinc/10/17/09/852101709.db2.gz AVCOKSUKDUBYEB-BMHONFFRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167982801 852101715 /nfs/dbraw/zinc/10/17/15/852101715.db2.gz AVCOKSUKDUBYEB-BMHONFFRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982801 852101722 /nfs/dbraw/zinc/10/17/22/852101722.db2.gz AVCOKSUKDUBYEB-BMHONFFRSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167982801 852101727 /nfs/dbraw/zinc/10/17/27/852101727.db2.gz AVCOKSUKDUBYEB-BMHONFFRSA-N 2 1 377.573 3.771 20 0 GHADMP CCc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550262465 852214949 /nfs/dbraw/zinc/21/49/49/852214949.db2.gz HQDLTOVMQXQKCU-QFIPXVFZSA-N 2 1 379.548 3.662 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000438306859 852243246 /nfs/dbraw/zinc/24/32/46/852243246.db2.gz QQQCXXDKXZHWAP-CNNODRBYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000438306859 852243254 /nfs/dbraw/zinc/24/32/54/852243254.db2.gz QQQCXXDKXZHWAP-CNNODRBYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@H](NC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000438306859 852243264 /nfs/dbraw/zinc/24/32/64/852243264.db2.gz QQQCXXDKXZHWAP-CNNODRBYSA-N 2 1 390.616 3.736 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000506917240 852331245 /nfs/dbraw/zinc/33/12/45/852331245.db2.gz LPNNDOGBNCZPPR-KCZVDYSFSA-N 2 1 392.632 3.793 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnc(C(F)(F)F)c(C)c3)CC2)CC1 ZINC000912577378 852368026 /nfs/dbraw/zinc/36/80/26/852368026.db2.gz ITMGNPLQJCEZJO-UHFFFAOYSA-N 2 1 398.473 3.544 20 0 GHADMP Cc1ccc(C[C@H](C)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000489708838 852538027 /nfs/dbraw/zinc/53/80/27/852538027.db2.gz AOAVHZMKBCKZPK-OYDLWJJNSA-N 2 1 399.623 3.969 20 0 GHADMP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438556375 852570626 /nfs/dbraw/zinc/57/06/26/852570626.db2.gz YUSUSUBFKBAGPL-HSZRJFAPSA-N 2 1 396.579 3.564 20 0 GHADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000505930704 852628526 /nfs/dbraw/zinc/62/85/26/852628526.db2.gz QVYIPDUTXODEHF-FQEVSTJZSA-N 2 1 394.563 3.698 20 0 GHADMP CCCOc1c(Br)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OCC ZINC000414937070 852638457 /nfs/dbraw/zinc/63/84/57/852638457.db2.gz HKEIZPHNEDHLCM-UHFFFAOYSA-N 2 1 385.346 3.868 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000506311254 852685925 /nfs/dbraw/zinc/68/59/25/852685925.db2.gz VQXIVTFUJNNMMC-NQIIRXRSSA-N 2 1 396.535 3.584 20 0 GHADMP CC(C)(C)C1=CC[N@@H+](CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000505975397 852778586 /nfs/dbraw/zinc/77/85/86/852778586.db2.gz HWOCRAMFWRUBFR-UHFFFAOYSA-N 2 1 383.580 3.693 20 0 GHADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000507380932 852837300 /nfs/dbraw/zinc/83/73/00/852837300.db2.gz QXYSBNMLTGWABX-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000507380932 852837309 /nfs/dbraw/zinc/83/73/09/852837309.db2.gz QXYSBNMLTGWABX-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000507380932 852837315 /nfs/dbraw/zinc/83/73/15/852837315.db2.gz QXYSBNMLTGWABX-DENIHFKCSA-N 2 1 386.584 3.592 20 0 GHADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516650052 852839765 /nfs/dbraw/zinc/83/97/65/852839765.db2.gz JCXIFCPEQBEQEU-HKBOAZHASA-N 2 1 380.536 3.520 20 0 GHADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516650052 852839768 /nfs/dbraw/zinc/83/97/68/852839768.db2.gz JCXIFCPEQBEQEU-HKBOAZHASA-N 2 1 380.536 3.520 20 0 GHADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc(Br)c1OC(F)F ZINC000414953777 852864998 /nfs/dbraw/zinc/86/49/98/852864998.db2.gz RXPMZFDVLZHGGD-ZYHUDNBSSA-N 2 1 393.272 3.679 20 0 GHADMP CN(C)C(=O)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507469795 852942324 /nfs/dbraw/zinc/94/23/24/852942324.db2.gz LEGKUMWPOLUCDO-YCAMKHIRSA-N 2 1 391.559 3.706 20 0 GHADMP c1coc([C@H](C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)N2CCCC2)c1 ZINC000507513994 852993030 /nfs/dbraw/zinc/99/30/30/852993030.db2.gz SLAWANMELANLSU-MLCQCVOFSA-N 2 1 379.548 3.917 20 0 GHADMP c1coc([C@H](CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[NH+]2CCCC2)c1 ZINC000507513994 852993035 /nfs/dbraw/zinc/99/30/35/852993035.db2.gz SLAWANMELANLSU-MLCQCVOFSA-N 2 1 379.548 3.917 20 0 GHADMP c1coc([C@H](CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[NH+]2CCCC2)c1 ZINC000507513994 852993043 /nfs/dbraw/zinc/99/30/43/852993043.db2.gz SLAWANMELANLSU-MLCQCVOFSA-N 2 1 379.548 3.917 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167986291 852997207 /nfs/dbraw/zinc/99/72/07/852997207.db2.gz CEWAJTDLNGOQQA-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167986291 852997213 /nfs/dbraw/zinc/99/72/13/852997213.db2.gz CEWAJTDLNGOQQA-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@]2(CCC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167986291 852997217 /nfs/dbraw/zinc/99/72/17/852997217.db2.gz CEWAJTDLNGOQQA-SRDOODBNSA-N 2 1 389.584 3.867 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CC[C@@H]2C1 ZINC001167986332 853024995 /nfs/dbraw/zinc/02/49/95/853024995.db2.gz DCPURIDWRYPIPH-DQKSBWHRSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC[C@@H]2C1 ZINC001167986332 853025001 /nfs/dbraw/zinc/02/50/01/853025001.db2.gz DCPURIDWRYPIPH-DQKSBWHRSA-N 2 1 389.584 3.581 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC[C@@H]2C1 ZINC001167986332 853025008 /nfs/dbraw/zinc/02/50/08/853025008.db2.gz DCPURIDWRYPIPH-DQKSBWHRSA-N 2 1 389.584 3.581 20 0 GHADMP c1nnn(Cc2ccccc2)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000490556882 853102833 /nfs/dbraw/zinc/10/28/33/853102833.db2.gz OIGPEFFLKJENJJ-UHFFFAOYSA-N 2 1 375.520 3.602 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000438986274 853161003 /nfs/dbraw/zinc/16/10/03/853161003.db2.gz LJFQGFUDESHVQI-INIZCTEOSA-N 2 1 382.508 3.677 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491043 853193541 /nfs/dbraw/zinc/19/35/41/853193541.db2.gz CJSNQOPERMEKSG-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491043 853193544 /nfs/dbraw/zinc/19/35/44/853193544.db2.gz CJSNQOPERMEKSG-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491043 853193547 /nfs/dbraw/zinc/19/35/47/853193547.db2.gz CJSNQOPERMEKSG-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000437491043 853193549 /nfs/dbraw/zinc/19/35/49/853193549.db2.gz CJSNQOPERMEKSG-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP C[C@@H](NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518341824 853239574 /nfs/dbraw/zinc/23/95/74/853239574.db2.gz LMXJPOHELYCICI-VQIMIIECSA-N 2 1 396.510 3.504 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000518363582 853250502 /nfs/dbraw/zinc/25/05/02/853250502.db2.gz ZMTIEUFDLIDMKI-AUSIDOKSSA-N 2 1 388.600 3.837 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483945 853266837 /nfs/dbraw/zinc/26/68/37/853266837.db2.gz CZEROTNUDBMINQ-RTBURBONSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483945 853266839 /nfs/dbraw/zinc/26/68/39/853266839.db2.gz CZEROTNUDBMINQ-RTBURBONSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000506483945 853266843 /nfs/dbraw/zinc/26/68/43/853266843.db2.gz CZEROTNUDBMINQ-RTBURBONSA-N 2 1 391.987 3.933 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490797996 853269605 /nfs/dbraw/zinc/26/96/05/853269605.db2.gz PDFUTNIUSMOYMY-ILWGZMRPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490797996 853269610 /nfs/dbraw/zinc/26/96/10/853269610.db2.gz PDFUTNIUSMOYMY-ILWGZMRPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490797996 853269613 /nfs/dbraw/zinc/26/96/13/853269613.db2.gz PDFUTNIUSMOYMY-ILWGZMRPSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518398814 853286042 /nfs/dbraw/zinc/28/60/42/853286042.db2.gz HKFIXWGDZIQPIB-HXUWFJFHSA-N 2 1 385.596 3.662 20 0 GHADMP C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426286840 853336878 /nfs/dbraw/zinc/33/68/78/853336878.db2.gz SMSSKTTXQOEZBD-WIYYLYMNSA-N 2 1 375.516 3.539 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490965913 853375867 /nfs/dbraw/zinc/37/58/67/853375867.db2.gz OAFWYGIRBFGDFW-OFNKIYASSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2Oc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490965913 853375876 /nfs/dbraw/zinc/37/58/76/853375876.db2.gz OAFWYGIRBFGDFW-OFNKIYASSA-N 2 1 379.548 3.937 20 0 GHADMP C[C@@H]1C[N@@H+](CCCSc2ccccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490958125 853383489 /nfs/dbraw/zinc/38/34/89/853383489.db2.gz GRRUIKMHSQXELY-IEBWSBKVSA-N 2 1 382.017 3.780 20 0 GHADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000519701112 853384967 /nfs/dbraw/zinc/38/49/67/853384967.db2.gz CXFQGXNEVXVBDR-GFCCVEGCSA-N 2 1 390.285 3.516 20 0 GHADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623858353 862461071 /nfs/dbraw/zinc/46/10/71/862461071.db2.gz JOMHOGYIRTZCLZ-SFHVURJKSA-N 2 1 389.565 3.868 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623860683 862462665 /nfs/dbraw/zinc/46/26/65/862462665.db2.gz BLEXYKIGEBRQRB-MSOLQXFVSA-N 2 1 399.560 3.622 20 0 GHADMP COc1cc(C[NH2+]CCC[NH+]2CCCCC2)ccc1OCc1c(C)noc1C ZINC000237153105 853475378 /nfs/dbraw/zinc/47/53/78/853475378.db2.gz YOFGNKOKZXTFIY-UHFFFAOYSA-N 2 1 387.524 3.845 20 0 GHADMP CSc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440647240 853494503 /nfs/dbraw/zinc/49/45/03/853494503.db2.gz NXTOXRSYDFLRGM-BJLQDIEVSA-N 2 1 397.588 3.838 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000519850308 853545316 /nfs/dbraw/zinc/54/53/16/853545316.db2.gz SGZMZQUNHLFAGE-ZDUSSCGKSA-N 2 1 396.304 3.774 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604781532 862477452 /nfs/dbraw/zinc/47/74/52/862477452.db2.gz OQCXECIOVFUULL-LEWJYISDSA-N 2 1 388.600 3.564 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000415931660 853645687 /nfs/dbraw/zinc/64/56/87/853645687.db2.gz MQSDZLSHEHAVNW-HXUWFJFHSA-N 2 1 398.576 3.535 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000415931660 853645692 /nfs/dbraw/zinc/64/56/92/853645692.db2.gz MQSDZLSHEHAVNW-HXUWFJFHSA-N 2 1 398.576 3.535 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623867950 862486281 /nfs/dbraw/zinc/48/62/81/862486281.db2.gz OTJXZJUPHTYGOU-QGZVFWFLSA-N 2 1 398.532 3.733 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[N@@H+]5CCCC[C@H]45)cc3)nc12 ZINC000520205836 853955537 /nfs/dbraw/zinc/95/55/37/853955537.db2.gz GIEFYGXFPSDJGO-DHIUTWEWSA-N 2 1 390.531 3.938 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H]4CC[N@H+]5CCCC[C@H]45)cc3)nc12 ZINC000520205836 853955541 /nfs/dbraw/zinc/95/55/41/853955541.db2.gz GIEFYGXFPSDJGO-DHIUTWEWSA-N 2 1 390.531 3.938 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441183986 853989253 /nfs/dbraw/zinc/98/92/53/853989253.db2.gz UJXSUMAHDQNBBF-XPWALMASSA-N 2 1 393.531 3.622 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000441183986 853989257 /nfs/dbraw/zinc/98/92/57/853989257.db2.gz UJXSUMAHDQNBBF-XPWALMASSA-N 2 1 393.531 3.622 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[NH+](C)C(C)(C)C2)c1 ZINC000623945594 862537713 /nfs/dbraw/zinc/53/77/13/862537713.db2.gz UODZOJAGJAJVBN-SJLPKXTDSA-N 2 1 390.547 3.923 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623945594 862537719 /nfs/dbraw/zinc/53/77/19/862537719.db2.gz UODZOJAGJAJVBN-SJLPKXTDSA-N 2 1 390.547 3.923 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623945594 862537726 /nfs/dbraw/zinc/53/77/26/862537726.db2.gz UODZOJAGJAJVBN-SJLPKXTDSA-N 2 1 390.547 3.923 20 0 GHADMP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)[C@@H]2C1 ZINC000571796970 854157697 /nfs/dbraw/zinc/15/76/97/854157697.db2.gz LIWCICFOSFUQBC-BKKLHLQPSA-N 2 1 383.580 3.666 20 0 GHADMP Brc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000441419416 854281571 /nfs/dbraw/zinc/28/15/71/854281571.db2.gz XBVNOVWHXNZNEJ-HNAYVOBHSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000441419416 854281577 /nfs/dbraw/zinc/28/15/77/854281577.db2.gz XBVNOVWHXNZNEJ-HNAYVOBHSA-N 2 1 379.342 3.777 20 0 GHADMP Brc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000441419416 854281585 /nfs/dbraw/zinc/28/15/85/854281585.db2.gz XBVNOVWHXNZNEJ-HNAYVOBHSA-N 2 1 379.342 3.777 20 0 GHADMP CCc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)n2)cc1 ZINC000588710043 854368432 /nfs/dbraw/zinc/36/84/32/854368432.db2.gz PBMDEXPLOLNHDM-QZTJIDSGSA-N 2 1 398.551 3.620 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C[C@H](C)O1 ZINC000588709344 854368834 /nfs/dbraw/zinc/36/88/34/854368834.db2.gz KYBVMAFROQSFHO-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3coc(-c4cccc(F)c4)n3)CC2)C[C@H](C)O1 ZINC000588709344 854368840 /nfs/dbraw/zinc/36/88/40/854368840.db2.gz KYBVMAFROQSFHO-CALCHBBNSA-N 2 1 387.499 3.802 20 0 GHADMP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473952924 854398505 /nfs/dbraw/zinc/39/85/05/854398505.db2.gz SIOVSRGRNWBDEY-TUNNFDKTSA-N 2 1 386.584 3.585 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC[C@H]1CCCC1(C)C ZINC000458879333 854406006 /nfs/dbraw/zinc/40/60/06/854406006.db2.gz NEKZTIREOIISOE-HXUWFJFHSA-N 2 1 392.632 3.650 20 0 GHADMP COC(=O)c1ccc(OC2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167995671 854505131 /nfs/dbraw/zinc/50/51/31/854505131.db2.gz NTRQPYYRYOCMMZ-WCRBZPEASA-N 2 1 398.547 3.722 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn(C2CC[NH+](CC3CC3)CC2)c2ccccc12 ZINC001168366377 862586187 /nfs/dbraw/zinc/58/61/87/862586187.db2.gz QWKJJSBVCYXYIJ-NRFANRHFSA-N 2 1 397.563 3.900 20 0 GHADMP CC(C)(C)OC(=O)N1CCCC2(C[NH+](C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC001168387348 854707383 /nfs/dbraw/zinc/70/73/83/854707383.db2.gz FCLFTQVVBHLBOO-UHFFFAOYSA-N 2 1 377.573 3.584 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000072694610 854729323 /nfs/dbraw/zinc/72/93/23/854729323.db2.gz QVOVHYYROYNJAU-UHFFFAOYSA-N 2 1 378.948 3.550 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000765777796 854787730 /nfs/dbraw/zinc/78/77/30/854787730.db2.gz ZRTVZLZDZUYHJP-HYBUGGRVSA-N 2 1 381.564 3.517 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2CCn3cc(C)[nH+]c3C2)n1 ZINC000624441711 854806972 /nfs/dbraw/zinc/80/69/72/854806972.db2.gz QLSUBIGLJKKFIH-KRWDZBQOSA-N 2 1 395.507 3.692 20 0 GHADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000765791591 854820183 /nfs/dbraw/zinc/82/01/83/854820183.db2.gz NPHZJGZVJNXLAU-SFTDATJTSA-N 2 1 386.486 3.571 20 0 GHADMP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000765791591 854820187 /nfs/dbraw/zinc/82/01/87/854820187.db2.gz NPHZJGZVJNXLAU-SFTDATJTSA-N 2 1 386.486 3.571 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572523646 854861139 /nfs/dbraw/zinc/86/11/39/854861139.db2.gz JFGQSBHQICYKGR-LADGPHEKSA-N 2 1 392.543 3.904 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000572523646 854861152 /nfs/dbraw/zinc/86/11/52/854861152.db2.gz JFGQSBHQICYKGR-LADGPHEKSA-N 2 1 392.543 3.904 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189044530 855014163 /nfs/dbraw/zinc/01/41/63/855014163.db2.gz CFFIKGHYLWBWDS-XEVCZEQESA-N 2 1 397.563 3.838 20 0 GHADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000572897298 855038294 /nfs/dbraw/zinc/03/82/94/855038294.db2.gz HQXYUEQVWDQYMD-PKTZIBPZSA-N 2 1 383.580 3.623 20 0 GHADMP COc1ccc([C@H]2C[C@@H]([NH+]3CCC([NH3+])(c4ccccc4OC)CC3)CCO2)cc1 ZINC001168616719 855057121 /nfs/dbraw/zinc/05/71/21/855057121.db2.gz OCHBSLFCGLVUCL-WMZHIEFXSA-N 2 1 396.531 3.874 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC(C)(C)C1CCC1 ZINC000459006547 855138816 /nfs/dbraw/zinc/13/88/16/855138816.db2.gz HHXDLMVLKXGYEB-UHFFFAOYSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000589836553 855158165 /nfs/dbraw/zinc/15/81/65/855158165.db2.gz LJFYANGSFOHSEA-AWEZNQCLSA-N 2 1 383.330 3.780 20 0 GHADMP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2)CC1 ZINC000671913134 855194664 /nfs/dbraw/zinc/19/46/64/855194664.db2.gz VFVYXMJWEWKNFJ-HSZRJFAPSA-N 2 1 399.579 3.573 20 0 GHADMP Cc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)o2)cc1 ZINC000441479264 855234610 /nfs/dbraw/zinc/23/46/10/855234610.db2.gz VBAAPZJBBPPDER-OALUTQOASA-N 2 1 383.536 3.971 20 0 GHADMP CC(C)(CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000520476929 855242516 /nfs/dbraw/zinc/24/25/16/855242516.db2.gz PYKSTPWXAWYKEF-LJQANCHMSA-N 2 1 386.584 3.731 20 0 GHADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000056524549 855562930 /nfs/dbraw/zinc/56/29/30/855562930.db2.gz ZDYUWRRETWBZPH-UHFFFAOYSA-N 2 1 382.430 3.919 20 0 GHADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000590942042 855665824 /nfs/dbraw/zinc/66/58/24/855665824.db2.gz DTIFEWZCPHSOBF-UHFFFAOYSA-N 2 1 387.597 3.706 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000591078880 855750106 /nfs/dbraw/zinc/75/01/06/855750106.db2.gz SWSKGZUSKXIZQG-OAQYLSRUSA-N 2 1 383.561 3.867 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000591078880 855750113 /nfs/dbraw/zinc/75/01/13/855750113.db2.gz SWSKGZUSKXIZQG-OAQYLSRUSA-N 2 1 383.561 3.867 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000591074081 855767135 /nfs/dbraw/zinc/76/71/35/855767135.db2.gz RCANFRJJORTMKU-IBGZPJMESA-N 2 1 387.568 3.544 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000057887880 855769139 /nfs/dbraw/zinc/76/91/39/855769139.db2.gz BDHDZYLYHJGGJG-LJQANCHMSA-N 2 1 394.563 3.926 20 0 GHADMP COc1ccc(CCNC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000057887931 855769436 /nfs/dbraw/zinc/76/94/36/855769436.db2.gz CZXCJTLZQCGZGX-LJQANCHMSA-N 2 1 394.563 3.784 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000573079039 855856887 /nfs/dbraw/zinc/85/68/87/855856887.db2.gz PNUPGXDGDKZSQW-FYYLOGMGSA-N 3 1 387.531 3.530 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591438844 855987389 /nfs/dbraw/zinc/98/73/89/855987389.db2.gz NJKVUKDGAFURKO-RTBURBONSA-N 2 1 398.551 3.511 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591438844 855987394 /nfs/dbraw/zinc/98/73/94/855987394.db2.gz NJKVUKDGAFURKO-RTBURBONSA-N 2 1 398.551 3.511 20 0 GHADMP Cc1cc(F)cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001143587805 856047863 /nfs/dbraw/zinc/04/78/63/856047863.db2.gz PCRHYYPAVQQZIE-DNVJHFABSA-N 2 1 390.543 3.614 20 0 GHADMP CC(C)=C[C@H]1[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000674308552 856156187 /nfs/dbraw/zinc/15/61/87/856156187.db2.gz BVTKLYQIZUFOMP-FCHUYYIVSA-N 2 1 389.628 3.880 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000591580473 856162808 /nfs/dbraw/zinc/16/28/08/856162808.db2.gz BWUZFWNTLRQAOP-IRLDBZIGSA-N 2 1 386.584 3.552 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000573491012 856255741 /nfs/dbraw/zinc/25/57/41/856255741.db2.gz UAVQLAZPCGNBHV-OAHLLOKOSA-N 2 1 380.414 3.577 20 0 GHADMP CC(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000573603496 856311486 /nfs/dbraw/zinc/31/14/86/856311486.db2.gz BJLVXGFPICHWPU-UGSOOPFHSA-N 2 1 386.367 3.693 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1nc2ccccc2s1 ZINC000185671609 856404487 /nfs/dbraw/zinc/40/44/87/856404487.db2.gz GJKPXTDQJBMNFZ-JYJNAYRXSA-N 2 1 386.565 3.866 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1nc2ccccc2s1 ZINC000185671609 856404499 /nfs/dbraw/zinc/40/44/99/856404499.db2.gz GJKPXTDQJBMNFZ-JYJNAYRXSA-N 2 1 386.565 3.866 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397163 856442652 /nfs/dbraw/zinc/44/26/52/856442652.db2.gz RXWIZKGFFGUFJG-QQKQFIJSSA-N 2 1 396.575 3.736 20 0 GHADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)C1 ZINC000485397163 856442660 /nfs/dbraw/zinc/44/26/60/856442660.db2.gz RXWIZKGFFGUFJG-QQKQFIJSSA-N 2 1 396.575 3.736 20 0 GHADMP CCc1cccc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000432668554 862801930 /nfs/dbraw/zinc/80/19/30/862801930.db2.gz JNULCHAWLAJAIR-FQEVSTJZSA-N 2 1 383.561 3.893 20 0 GHADMP CCc1cccc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000432668554 862801950 /nfs/dbraw/zinc/80/19/50/862801950.db2.gz JNULCHAWLAJAIR-FQEVSTJZSA-N 2 1 383.561 3.893 20 0 GHADMP Cc1ccc2nc(CSCC(=O)NCCC[N@H+](C)Cc3ccccc3)cn2c1 ZINC000043507796 856537443 /nfs/dbraw/zinc/53/74/43/856537443.db2.gz FQWYPVZGFVBIJF-UHFFFAOYSA-N 2 1 396.560 3.514 20 0 GHADMP CC(C)[NH+]1CCCN(Cc2ccc(CN3CCC[N@H+](C(C)C)CC3)cc2)CC1 ZINC000507849125 856562412 /nfs/dbraw/zinc/56/24/12/856562412.db2.gz QSUSWJVYTASVBA-UHFFFAOYSA-N 2 1 386.628 3.519 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427708969 856620012 /nfs/dbraw/zinc/62/00/12/856620012.db2.gz DZNMOKIWPOEMFR-XUVXKRRUSA-N 2 1 397.485 3.835 20 0 GHADMP O[C@H](COc1ccccc1F)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485474049 856639152 /nfs/dbraw/zinc/63/91/52/856639152.db2.gz JDHWATFBVZACQA-NRFANRHFSA-N 2 1 398.522 3.554 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000592379407 856825921 /nfs/dbraw/zinc/82/59/21/856825921.db2.gz OCPDORKMOOHIHX-NQIIRXRSSA-N 2 1 390.543 3.933 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000485667811 856901969 /nfs/dbraw/zinc/90/19/69/856901969.db2.gz HLBUNAUVMFYDGN-SFHVURJKSA-N 2 1 383.458 3.984 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cccc4[nH]c(=O)oc43)cc2)CC1 ZINC000921909279 857076807 /nfs/dbraw/zinc/07/68/07/857076807.db2.gz UEMRHRRUVPEORQ-UHFFFAOYSA-N 2 1 380.492 3.924 20 0 GHADMP c1sc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nc1-c1ccncc1 ZINC000733332044 862873818 /nfs/dbraw/zinc/87/38/18/862873818.db2.gz XKZCRFZQSTYCSW-UHFFFAOYSA-N 2 1 394.544 3.970 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2cccc(F)c2c1C ZINC000499518564 857128390 /nfs/dbraw/zinc/12/83/90/857128390.db2.gz IAHDELMYQHLLST-INIZCTEOSA-N 2 1 391.556 3.837 20 0 GHADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000486099740 857427793 /nfs/dbraw/zinc/42/77/93/857427793.db2.gz KRXJRNOYPMXYDB-NFBKMPQASA-N 2 1 393.575 3.754 20 0 GHADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060580458 857462215 /nfs/dbraw/zinc/46/22/15/857462215.db2.gz LRPWCWLKXLOBFS-FCHUYYIVSA-N 2 1 395.547 3.835 20 0 GHADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000574271364 857485953 /nfs/dbraw/zinc/48/59/53/857485953.db2.gz VQLBQSCGDUZTIM-VNXZQDSDSA-N 2 1 380.532 3.700 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000574249631 857501474 /nfs/dbraw/zinc/50/14/74/857501474.db2.gz WVFGYPCJFQYIDB-JOCHJYFZSA-N 2 1 397.611 3.615 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675666664 857554235 /nfs/dbraw/zinc/55/42/35/857554235.db2.gz QZOXJFDNIFISDX-OFNKIYASSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675666664 857554246 /nfs/dbraw/zinc/55/42/46/857554246.db2.gz QZOXJFDNIFISDX-OFNKIYASSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675666664 857554253 /nfs/dbraw/zinc/55/42/53/857554253.db2.gz QZOXJFDNIFISDX-OFNKIYASSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675666664 857554259 /nfs/dbraw/zinc/55/42/59/857554259.db2.gz QZOXJFDNIFISDX-OFNKIYASSA-N 2 1 398.595 3.549 20 0 GHADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1F ZINC000482323965 862931747 /nfs/dbraw/zinc/93/17/47/862931747.db2.gz UVCHPECUNZQMCN-IRLDBZIGSA-N 2 1 391.575 3.724 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665276975 857632020 /nfs/dbraw/zinc/63/20/20/857632020.db2.gz QLOHCXJZWMCJDK-TUACAJSNSA-N 2 1 377.576 3.837 20 0 GHADMP CC[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000063768785 857655403 /nfs/dbraw/zinc/65/54/03/857655403.db2.gz HRDRSNIDFWSELR-XMMPIXPASA-N 2 1 391.559 3.849 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000675880076 857658373 /nfs/dbraw/zinc/65/83/73/857658373.db2.gz XDUPCHWMYKYCNU-HNNXBMFYSA-N 2 1 382.483 3.765 20 0 GHADMP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OCC ZINC000675881493 857659401 /nfs/dbraw/zinc/65/94/01/857659401.db2.gz MEQSXSZIDMYZDO-YLJYHZDGSA-N 2 1 376.541 3.778 20 0 GHADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000521174178 857705540 /nfs/dbraw/zinc/70/55/40/857705540.db2.gz VJJXHBGPNAVVQB-VIZSFHNOSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+](C)Cc1ccccc1 ZINC000521174178 857705550 /nfs/dbraw/zinc/70/55/50/857705550.db2.gz VJJXHBGPNAVVQB-VIZSFHNOSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000521174178 857705561 /nfs/dbraw/zinc/70/55/61/857705561.db2.gz VJJXHBGPNAVVQB-VIZSFHNOSA-N 2 1 394.563 3.642 20 0 GHADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3C[NH+](C)C)cc2)C1 ZINC000486519447 857816010 /nfs/dbraw/zinc/81/60/10/857816010.db2.gz MZNFLHQERDXJAE-GOSISDBHSA-N 2 1 381.520 3.721 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000065867841 857868144 /nfs/dbraw/zinc/86/81/44/857868144.db2.gz GWJMXAHLAVCHHM-TZIWHRDSSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000065867841 857868150 /nfs/dbraw/zinc/86/81/50/857868150.db2.gz GWJMXAHLAVCHHM-TZIWHRDSSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000065867841 857868158 /nfs/dbraw/zinc/86/81/58/857868158.db2.gz GWJMXAHLAVCHHM-TZIWHRDSSA-N 2 1 389.559 3.666 20 0 GHADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000672967081 857953346 /nfs/dbraw/zinc/95/33/46/857953346.db2.gz SAOCRYGBBJPCKR-QHCPKHFHSA-N 2 1 394.563 3.602 20 0 GHADMP COCCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000442642202 858020275 /nfs/dbraw/zinc/02/02/75/858020275.db2.gz FFNAEWASXDIQLC-QHCPKHFHSA-N 2 1 386.511 3.915 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067507170 858035715 /nfs/dbraw/zinc/03/57/15/858035715.db2.gz JHYMEDHOXNXQOP-MRXNPFEDSA-N 2 1 399.373 3.684 20 0 GHADMP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507170 858035726 /nfs/dbraw/zinc/03/57/26/858035726.db2.gz JHYMEDHOXNXQOP-MRXNPFEDSA-N 2 1 399.373 3.684 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000574582320 858071297 /nfs/dbraw/zinc/07/12/97/858071297.db2.gz WSKWCLGHVYXKMX-NFBKMPQASA-N 2 1 395.478 3.533 20 0 GHADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000482360546 862984923 /nfs/dbraw/zinc/98/49/23/862984923.db2.gz SNCXJKITNHWOIP-IBGZPJMESA-N 2 1 382.390 3.763 20 0 GHADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442786032 858124860 /nfs/dbraw/zinc/12/48/60/858124860.db2.gz UUJPJVLDIYGLBV-KNQAVFIVSA-N 2 1 377.532 3.934 20 0 GHADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1 ZINC000442786032 858124864 /nfs/dbraw/zinc/12/48/64/858124864.db2.gz UUJPJVLDIYGLBV-KNQAVFIVSA-N 2 1 377.532 3.934 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000673066802 858130311 /nfs/dbraw/zinc/13/03/11/858130311.db2.gz IMEXDXQUSHMRKW-SSGKUCQKSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000673066802 858130315 /nfs/dbraw/zinc/13/03/15/858130315.db2.gz IMEXDXQUSHMRKW-SSGKUCQKSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000673066802 858130320 /nfs/dbraw/zinc/13/03/20/858130320.db2.gz IMEXDXQUSHMRKW-SSGKUCQKSA-N 2 1 383.580 3.668 20 0 GHADMP Cc1oc2ccccc2c1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000574726937 858151990 /nfs/dbraw/zinc/15/19/90/858151990.db2.gz UEHVKEQZDLZGAJ-ROUUACIJSA-N 2 1 386.536 3.831 20 0 GHADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000442864899 858183760 /nfs/dbraw/zinc/18/37/60/858183760.db2.gz DPFCCSCGXSUSLS-VAMGGRTRSA-N 2 1 387.474 3.726 20 0 GHADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000442864899 858183764 /nfs/dbraw/zinc/18/37/64/858183764.db2.gz DPFCCSCGXSUSLS-VAMGGRTRSA-N 2 1 387.474 3.726 20 0 GHADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442869106 858186179 /nfs/dbraw/zinc/18/61/79/858186179.db2.gz IBCCYKXGOOWVIZ-HSZRJFAPSA-N 2 1 399.554 3.734 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1(C)C ZINC000442876143 858191248 /nfs/dbraw/zinc/19/12/48/858191248.db2.gz PIKQUHVNUPHMPV-HKUYNNGSSA-N 2 1 383.502 3.957 20 0 GHADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)[N@H+]1CCCC[C@@H]1C ZINC000521683868 858230994 /nfs/dbraw/zinc/23/09/94/858230994.db2.gz CMYZRIHCYGIODI-ZWKOTPCHSA-N 2 1 394.991 3.676 20 0 GHADMP CCCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000594785853 858280597 /nfs/dbraw/zinc/28/05/97/858280597.db2.gz XXUWYGCLDANBMH-QHCPKHFHSA-N 2 1 379.548 3.626 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000674099215 863006772 /nfs/dbraw/zinc/00/67/72/863006772.db2.gz VYFGQQNAFZANEM-RXVVDRJESA-N 2 1 383.536 3.762 20 0 GHADMP COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000543093221 858312342 /nfs/dbraw/zinc/31/23/42/858312342.db2.gz YSVUDNRSHMEFBF-SIKLNZKXSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000543093221 858312348 /nfs/dbraw/zinc/31/23/48/858312348.db2.gz YSVUDNRSHMEFBF-SIKLNZKXSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000543093221 858312353 /nfs/dbraw/zinc/31/23/53/858312353.db2.gz YSVUDNRSHMEFBF-SIKLNZKXSA-N 2 1 396.531 3.723 20 0 GHADMP COC(=O)COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000543093221 858312361 /nfs/dbraw/zinc/31/23/61/858312361.db2.gz YSVUDNRSHMEFBF-SIKLNZKXSA-N 2 1 396.531 3.723 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000521791670 858328355 /nfs/dbraw/zinc/32/83/55/858328355.db2.gz XRWJKFFSNHORNV-WOJBJXKFSA-N 2 1 395.547 3.504 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000574916349 858393405 /nfs/dbraw/zinc/39/34/05/858393405.db2.gz LMURXAAJHIWMFI-YPAWHYETSA-N 2 1 383.580 3.857 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000574916349 858393412 /nfs/dbraw/zinc/39/34/12/858393412.db2.gz LMURXAAJHIWMFI-YPAWHYETSA-N 2 1 383.580 3.857 20 0 GHADMP COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000575046358 858502955 /nfs/dbraw/zinc/50/29/55/858502955.db2.gz MHJRQTKHIPMRJU-XMSQKQJNSA-N 2 1 381.520 3.744 20 0 GHADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000575056766 858507973 /nfs/dbraw/zinc/50/79/73/858507973.db2.gz QWKRYKXYVBBKSU-QFBILLFUSA-N 2 1 397.485 3.694 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000521991178 858515278 /nfs/dbraw/zinc/51/52/78/858515278.db2.gz RRSLCGGJAPSYQH-IFMALSPDSA-N 2 1 386.584 3.696 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000522078149 858588994 /nfs/dbraw/zinc/58/89/94/858588994.db2.gz NNHNAFOWBBCCHD-PWHSHALESA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000522076286 858596630 /nfs/dbraw/zinc/59/66/30/858596630.db2.gz JNBIUKYGGVVLED-FQEVSTJZSA-N 2 1 394.563 3.602 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000115828612 858680724 /nfs/dbraw/zinc/68/07/24/858680724.db2.gz YPSGXVKYDYCSIV-VQTJNVASSA-N 2 1 386.584 3.633 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000783514051 858763702 /nfs/dbraw/zinc/76/37/02/858763702.db2.gz PLBAVOVSZMARAD-AQNXPRMDSA-N 2 1 397.604 3.503 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168019812 858784569 /nfs/dbraw/zinc/78/45/69/858784569.db2.gz KCCFTCJQUGPTTL-JHDGKUDLSA-N 2 1 379.548 3.724 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000710916527 858793031 /nfs/dbraw/zinc/79/30/31/858793031.db2.gz KWGIRODWIOVZLA-FQEVSTJZSA-N 2 1 387.568 3.744 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000710916527 858793038 /nfs/dbraw/zinc/79/30/38/858793038.db2.gz KWGIRODWIOVZLA-FQEVSTJZSA-N 2 1 387.568 3.744 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000183689693 858798105 /nfs/dbraw/zinc/79/81/05/858798105.db2.gz VLXCMULBDSGETG-PBHICJAKSA-N 2 1 394.441 3.632 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000482843551 858912281 /nfs/dbraw/zinc/91/22/81/858912281.db2.gz NTBWMCHDKBSAFW-UWJYYQICSA-N 2 1 395.938 3.921 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000482870277 858928146 /nfs/dbraw/zinc/92/81/46/858928146.db2.gz OPQQBGQHVBZZLQ-SFHVURJKSA-N 2 1 396.000 3.799 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(-c2ccccc2)c1 ZINC000482885437 858941352 /nfs/dbraw/zinc/94/13/52/858941352.db2.gz HDFOIONDTGJENK-IBGZPJMESA-N 2 1 379.548 3.947 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185660429 859113043 /nfs/dbraw/zinc/11/30/43/859113043.db2.gz HSPFWTXQRHKSGG-GJZGRUSLSA-N 2 1 383.989 3.603 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185660429 859113045 /nfs/dbraw/zinc/11/30/45/859113045.db2.gz HSPFWTXQRHKSGG-GJZGRUSLSA-N 2 1 383.989 3.603 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712159 859118737 /nfs/dbraw/zinc/11/87/37/859118737.db2.gz OWUUFBVZBIKARG-LSDHHAIUSA-N 2 1 394.357 3.630 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712159 859118745 /nfs/dbraw/zinc/11/87/45/859118745.db2.gz OWUUFBVZBIKARG-LSDHHAIUSA-N 2 1 394.357 3.630 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185719804 859121293 /nfs/dbraw/zinc/12/12/93/859121293.db2.gz XGUBGMJSQQMVLD-YESZJQIVSA-N 2 1 375.582 3.978 20 0 GHADMP CSc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185719804 859121304 /nfs/dbraw/zinc/12/13/04/859121304.db2.gz XGUBGMJSQQMVLD-YESZJQIVSA-N 2 1 375.582 3.978 20 0 GHADMP COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cl ZINC000185765145 859127206 /nfs/dbraw/zinc/12/72/06/859127206.db2.gz QKRRTTYQMSSVEG-HUUCEWRRSA-N 2 1 379.932 3.530 20 0 GHADMP COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000185765145 859127210 /nfs/dbraw/zinc/12/72/10/859127210.db2.gz QKRRTTYQMSSVEG-HUUCEWRRSA-N 2 1 379.932 3.530 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000191474367 859165773 /nfs/dbraw/zinc/16/57/73/859165773.db2.gz NMLSOFXDIZKZSL-UHFFFAOYSA-N 2 1 382.552 3.984 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000191474367 859165778 /nfs/dbraw/zinc/16/57/78/859165778.db2.gz NMLSOFXDIZKZSL-UHFFFAOYSA-N 2 1 382.552 3.984 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000191484948 859178429 /nfs/dbraw/zinc/17/84/29/859178429.db2.gz NNMZOGBAAJNNGB-KRWDZBQOSA-N 2 1 379.508 3.733 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000191484948 859178431 /nfs/dbraw/zinc/17/84/31/859178431.db2.gz NNMZOGBAAJNNGB-KRWDZBQOSA-N 2 1 379.508 3.733 20 0 GHADMP CCCN(Cc1ccccc1F)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654460272 859221587 /nfs/dbraw/zinc/22/15/87/859221587.db2.gz OMOHRQREPKOGCY-UHFFFAOYSA-N 2 1 389.559 3.761 20 0 GHADMP CCc1nnc2ccc(C[NH2+]C3C[C@@H](C)[NH+](Cc4ccccc4)[C@H](C)C3)cn21 ZINC001168025535 859248041 /nfs/dbraw/zinc/24/80/41/859248041.db2.gz CSEMUHSQOSFYIG-QZTJIDSGSA-N 2 1 377.536 3.823 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[N@@H+](C(C)C)CC3)c2c1C ZINC000068916484 859252492 /nfs/dbraw/zinc/25/24/92/859252492.db2.gz DOHGUUGTZZRERX-UHFFFAOYSA-N 2 1 387.597 3.824 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[N@H+](C(C)C)CC3)c2c1C ZINC000068916484 859252501 /nfs/dbraw/zinc/25/25/01/859252501.db2.gz DOHGUUGTZZRERX-UHFFFAOYSA-N 2 1 387.597 3.824 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)o2)cc1 ZINC000069017193 859300556 /nfs/dbraw/zinc/30/05/56/859300556.db2.gz UJPCJDOSFSREOV-QRVBRYPASA-N 2 1 398.551 3.927 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccccc3OC(C)C)C2)ccn1 ZINC000856555826 881405620 /nfs/dbraw/zinc/40/56/20/881405620.db2.gz SHLQKXNAZYKIEN-QFIPXVFZSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3OC(C)C)C2)ccn1 ZINC000856555826 881405626 /nfs/dbraw/zinc/40/56/26/881405626.db2.gz SHLQKXNAZYKIEN-QFIPXVFZSA-N 2 1 383.536 3.974 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3OC(C)C)C2)ccn1 ZINC000856555826 881405630 /nfs/dbraw/zinc/40/56/30/881405630.db2.gz SHLQKXNAZYKIEN-QFIPXVFZSA-N 2 1 383.536 3.974 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H](C)O1 ZINC000195250461 859367106 /nfs/dbraw/zinc/36/71/06/859367106.db2.gz FPIOHOXRMYEADR-CALCHBBNSA-N 2 1 376.932 3.505 20 0 GHADMP CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H]2CCC[NH2+]C2)n1 ZINC000923529136 859397451 /nfs/dbraw/zinc/39/74/51/859397451.db2.gz ZCQMKPMQLZBGNM-DIXTZKEJSA-N 2 1 391.625 3.731 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483502815 859414136 /nfs/dbraw/zinc/41/41/36/859414136.db2.gz IDYIVTOWZIJLLM-SFLYRZDNSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483502815 859414143 /nfs/dbraw/zinc/41/41/43/859414143.db2.gz IDYIVTOWZIJLLM-SFLYRZDNSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483502815 859414149 /nfs/dbraw/zinc/41/41/49/859414149.db2.gz IDYIVTOWZIJLLM-SFLYRZDNSA-N 2 1 398.522 3.552 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483502815 859414157 /nfs/dbraw/zinc/41/41/57/859414157.db2.gz IDYIVTOWZIJLLM-SFLYRZDNSA-N 2 1 398.522 3.552 20 0 GHADMP O=[S@](CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000483511942 859425724 /nfs/dbraw/zinc/42/57/24/859425724.db2.gz KLDOBBZQMYSNAD-JEYPMZLKSA-N 2 1 382.573 3.781 20 0 GHADMP Cc1ccc2nc(C[NH+]3CC[C@H](Oc4ccnc(C[N@@H+](C)C(C)C)c4)C3)cn2c1 ZINC000856558733 881425809 /nfs/dbraw/zinc/42/58/09/881425809.db2.gz LIAQBRVOBPSVNQ-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2nc(C[NH+]3CC[C@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)cn2c1 ZINC000856558733 881425823 /nfs/dbraw/zinc/42/58/23/881425823.db2.gz LIAQBRVOBPSVNQ-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2nc(C[N@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cn2c1 ZINC000856558733 881425836 /nfs/dbraw/zinc/42/58/36/881425836.db2.gz LIAQBRVOBPSVNQ-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1ccc2nc(C[N@@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)cn2c1 ZINC000856558733 881425843 /nfs/dbraw/zinc/42/58/43/881425843.db2.gz LIAQBRVOBPSVNQ-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP C[N@H+](CCC(=O)N1CCc2sccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200536 859493319 /nfs/dbraw/zinc/49/33/19/859493319.db2.gz MKPWCXOKYHEUCU-UHFFFAOYSA-N 2 1 397.588 3.619 20 0 GHADMP C[N@@H+](CCC(=O)N1CCc2sccc2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200536 859493323 /nfs/dbraw/zinc/49/33/23/859493323.db2.gz MKPWCXOKYHEUCU-UHFFFAOYSA-N 2 1 397.588 3.619 20 0 GHADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CC(C)C ZINC000764776971 859607703 /nfs/dbraw/zinc/60/77/03/859607703.db2.gz ROFUFDJNSWBBBY-HLAWJBBLSA-N 2 1 375.557 3.647 20 0 GHADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)CCO2 ZINC000764882283 859658899 /nfs/dbraw/zinc/65/88/99/859658899.db2.gz KIXJLQSKNPSQSQ-WMZHIEFXSA-N 2 1 379.548 3.651 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856561006 881450238 /nfs/dbraw/zinc/45/02/38/881450238.db2.gz LHEPVLGQDSBSCB-HSZRJFAPSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561006 881450416 /nfs/dbraw/zinc/45/04/16/881450416.db2.gz LHEPVLGQDSBSCB-HSZRJFAPSA-N 2 1 396.535 3.534 20 0 GHADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561006 881450628 /nfs/dbraw/zinc/45/06/28/881450628.db2.gz LHEPVLGQDSBSCB-HSZRJFAPSA-N 2 1 396.535 3.534 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](c3ccccc3)C(C)C)CC2)CC1 ZINC000474282338 859758646 /nfs/dbraw/zinc/75/86/46/859758646.db2.gz IFEUFSUOILJFNJ-QHCPKHFHSA-N 2 1 385.596 3.692 20 0 GHADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000484064996 859794600 /nfs/dbraw/zinc/79/46/00/859794600.db2.gz HIVPSDKIAJFWTL-UHFFFAOYSA-N 2 1 375.520 3.924 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000466525423 859850700 /nfs/dbraw/zinc/85/07/00/859850700.db2.gz HZDWBDWWPBKHBC-DENIHFKCSA-N 2 1 398.595 3.746 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(-c3ccccc3F)s1)C2 ZINC000922391432 859889896 /nfs/dbraw/zinc/88/98/96/859889896.db2.gz WHYAVQXYYWHMHH-BNDYYXHWSA-N 2 1 389.540 3.519 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000484511875 860062021 /nfs/dbraw/zinc/06/20/21/860062021.db2.gz QBEWLTMIGZWGHO-WTIAFYNJSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000484511875 860062026 /nfs/dbraw/zinc/06/20/26/860062026.db2.gz QBEWLTMIGZWGHO-WTIAFYNJSA-N 2 1 383.580 3.668 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000428865742 860066372 /nfs/dbraw/zinc/06/63/72/860066372.db2.gz WTCPUHIQXXRUOS-CEMLEFRQSA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428865742 860066377 /nfs/dbraw/zinc/06/63/77/860066377.db2.gz WTCPUHIQXXRUOS-CEMLEFRQSA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428865742 860066386 /nfs/dbraw/zinc/06/63/86/860066386.db2.gz WTCPUHIQXXRUOS-CEMLEFRQSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CC([NH2+]Cc2ccc3c(c2)N(C)C(=O)CO3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034917 860088333 /nfs/dbraw/zinc/08/83/33/860088333.db2.gz RNXMWJIABSDENF-QZTJIDSGSA-N 2 1 393.531 3.573 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000097099912 860143692 /nfs/dbraw/zinc/14/36/92/860143692.db2.gz CVTGWQYMFLXRTI-HXUWFJFHSA-N 2 1 379.548 3.960 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000474470604 860152290 /nfs/dbraw/zinc/15/22/90/860152290.db2.gz DZLBINJPOJSJCQ-ZTFGCOKTSA-N 2 1 398.332 3.829 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C(=O)N(C)C)c3)cc2)C1 ZINC000921529644 860199050 /nfs/dbraw/zinc/19/90/50/860199050.db2.gz MWHCEIICWVELJG-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP CC(C)[NH+](C)CC1CC[NH+]([C@@H](C)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237462 /nfs/dbraw/zinc/23/74/62/860237462.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 4 1 394.692 3.869 20 0 GHADMP CC(C)[NH+](C)CC1CC[NH+](CC[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237470 /nfs/dbraw/zinc/23/74/70/860237470.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 4 1 394.692 3.869 20 0 GHADMP CC(C)[NH+](C)CC1CC[NH+](CC[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237480 /nfs/dbraw/zinc/23/74/80/860237480.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 4 1 394.692 3.869 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4C)C3)CC2)CC1 ZINC000654680721 860270081 /nfs/dbraw/zinc/27/00/81/860270081.db2.gz COIMRZOZGIMBTQ-OAQYLSRUSA-N 2 1 383.580 3.507 20 0 GHADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484720068 860287899 /nfs/dbraw/zinc/28/78/99/860287899.db2.gz QRXNXQJHLLNPHD-LBVMUVSTSA-N 2 1 394.563 3.813 20 0 GHADMP CCN(C(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000499998843 860440242 /nfs/dbraw/zinc/44/02/42/860440242.db2.gz BVPIIIUBHVHMAQ-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000499998843 860440252 /nfs/dbraw/zinc/44/02/52/860440252.db2.gz BVPIIIUBHVHMAQ-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000499998843 860440258 /nfs/dbraw/zinc/44/02/58/860440258.db2.gz BVPIIIUBHVHMAQ-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000499998843 860440260 /nfs/dbraw/zinc/44/02/60/860440260.db2.gz BVPIIIUBHVHMAQ-NZQKXSOJSA-N 2 1 379.548 3.802 20 0 GHADMP C[NH+](C)C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000673611557 860527323 /nfs/dbraw/zinc/52/73/23/860527323.db2.gz OWIQWQMJMAVDBA-QHCPKHFHSA-N 2 1 385.527 3.693 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)c(OC)c3)C2)ccn1 ZINC000856584756 881555132 /nfs/dbraw/zinc/55/51/32/881555132.db2.gz QXDQVZDPESSIBU-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c(OC)c3)C2)ccn1 ZINC000856584756 881555134 /nfs/dbraw/zinc/55/51/34/881555134.db2.gz QXDQVZDPESSIBU-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(OC)c3)C2)ccn1 ZINC000856584756 881555143 /nfs/dbraw/zinc/55/51/43/881555143.db2.gz QXDQVZDPESSIBU-LJQANCHMSA-N 2 1 389.927 3.849 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC000026343865 860587407 /nfs/dbraw/zinc/58/74/07/860587407.db2.gz GMPBZHRDZJIDKF-SFHVURJKSA-N 2 1 399.966 3.941 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000026343865 860587413 /nfs/dbraw/zinc/58/74/13/860587413.db2.gz GMPBZHRDZJIDKF-SFHVURJKSA-N 2 1 399.966 3.941 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000509036041 860647026 /nfs/dbraw/zinc/64/70/26/860647026.db2.gz YXWIRLPWBNDAMB-XLIONFOSSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000509036041 860647031 /nfs/dbraw/zinc/64/70/31/860647031.db2.gz YXWIRLPWBNDAMB-XLIONFOSSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000509036041 860647038 /nfs/dbraw/zinc/64/70/38/860647038.db2.gz YXWIRLPWBNDAMB-XLIONFOSSA-N 2 1 394.991 3.706 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000489792858 860754282 /nfs/dbraw/zinc/75/42/82/860754282.db2.gz SGYNWCJSBPQDHD-HSZRJFAPSA-N 2 1 386.584 3.546 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000489792858 860754333 /nfs/dbraw/zinc/75/43/33/860754333.db2.gz SGYNWCJSBPQDHD-HSZRJFAPSA-N 2 1 386.584 3.546 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000489792858 860754336 /nfs/dbraw/zinc/75/43/36/860754336.db2.gz SGYNWCJSBPQDHD-HSZRJFAPSA-N 2 1 386.584 3.546 20 0 GHADMP c1ccc(COc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2)cc1 ZINC000603517359 860785843 /nfs/dbraw/zinc/78/58/43/860785843.db2.gz RQOFIOAHXFXYQI-XMMPIXPASA-N 2 1 380.532 3.999 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856606571 881584175 /nfs/dbraw/zinc/58/41/75/881584175.db2.gz LEYPJQWTDYWGHD-LJQANCHMSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856606571 881584190 /nfs/dbraw/zinc/58/41/90/881584190.db2.gz LEYPJQWTDYWGHD-LJQANCHMSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3c(F)cccc3F)C2)ccn1 ZINC000856606571 881584207 /nfs/dbraw/zinc/58/42/07/881584207.db2.gz LEYPJQWTDYWGHD-LJQANCHMSA-N 2 1 389.490 3.896 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607152 881584253 /nfs/dbraw/zinc/58/42/53/881584253.db2.gz WXQHWINWBBJJTL-CTUHWIOQSA-N 2 1 397.563 3.540 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607152 881584265 /nfs/dbraw/zinc/58/42/65/881584265.db2.gz WXQHWINWBBJJTL-CTUHWIOQSA-N 2 1 397.563 3.540 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](O)[C@H](C)c3ccccc3)C2)ccn1 ZINC000856607152 881584284 /nfs/dbraw/zinc/58/42/84/881584284.db2.gz WXQHWINWBBJJTL-CTUHWIOQSA-N 2 1 397.563 3.540 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192683081 860906161 /nfs/dbraw/zinc/90/61/61/860906161.db2.gz OPUSXTGCBCRWCX-DEOSSOPVSA-N 2 1 378.564 3.861 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2c(F)cccc2Cl)CCO1 ZINC000623358228 860916879 /nfs/dbraw/zinc/91/68/79/860916879.db2.gz UQPGOHRHBGDCEX-GPMSIDNRSA-N 2 1 397.966 3.703 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2c(F)cccc2Cl)CCO1 ZINC000623358228 860916888 /nfs/dbraw/zinc/91/68/88/860916888.db2.gz UQPGOHRHBGDCEX-GPMSIDNRSA-N 2 1 397.966 3.703 20 0 GHADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000669691638 860977446 /nfs/dbraw/zinc/97/74/46/860977446.db2.gz KDPCDZYLYJADFW-UZLBHIALSA-N 2 1 383.502 3.909 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cn2)n1 ZINC000481304360 860987651 /nfs/dbraw/zinc/98/76/51/860987651.db2.gz HTAXZGVEHLYMEC-MBSDFSHPSA-N 2 1 389.547 3.884 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC1(C)C ZINC000623394031 860991416 /nfs/dbraw/zinc/99/14/16/860991416.db2.gz XBDMHUPGNYFHMQ-FQEVSTJZSA-N 2 1 382.552 3.768 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000481307058 861000307 /nfs/dbraw/zinc/00/03/07/861000307.db2.gz ITQZSPKSFNWRDQ-YKSBVNFPSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000481307058 861000310 /nfs/dbraw/zinc/00/03/10/861000310.db2.gz ITQZSPKSFNWRDQ-YKSBVNFPSA-N 2 1 381.564 3.627 20 0 GHADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623444327 861074047 /nfs/dbraw/zinc/07/40/47/861074047.db2.gz CZFJHHVXQDQHLD-PKOBYXMFSA-N 2 1 375.557 3.505 20 0 GHADMP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCN1c1ccccc1 ZINC000499210055 881623023 /nfs/dbraw/zinc/62/30/23/881623023.db2.gz FUCHWIQLITUAOO-IGABQKFOSA-N 2 1 389.543 3.967 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000600155961 861152533 /nfs/dbraw/zinc/15/25/33/861152533.db2.gz LUTHNUBERGMMMY-UHFFFAOYSA-N 2 1 384.524 3.721 20 0 GHADMP O=C1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCN1c1ccccc1 ZINC000499210055 881623018 /nfs/dbraw/zinc/62/30/18/881623018.db2.gz FUCHWIQLITUAOO-IGABQKFOSA-N 2 1 389.543 3.967 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000182226294 863156224 /nfs/dbraw/zinc/15/62/24/863156224.db2.gz YMBPVGNTGDTJPY-FGZHOGPDSA-N 2 1 396.531 3.655 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000482542187 863281097 /nfs/dbraw/zinc/28/10/97/863281097.db2.gz WPKQCQQRRQELTL-RUZDIDTESA-N 2 1 379.592 3.848 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168051828 863666118 /nfs/dbraw/zinc/66/61/18/863666118.db2.gz JCRLVQROBAHCBU-FHUHAFECSA-N 2 1 384.564 3.554 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168051828 863666123 /nfs/dbraw/zinc/66/61/23/863666123.db2.gz JCRLVQROBAHCBU-FHUHAFECSA-N 2 1 384.564 3.554 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051828 863666130 /nfs/dbraw/zinc/66/61/30/863666130.db2.gz JCRLVQROBAHCBU-FHUHAFECSA-N 2 1 384.564 3.554 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168051828 863666136 /nfs/dbraw/zinc/66/61/36/863666136.db2.gz JCRLVQROBAHCBU-FHUHAFECSA-N 2 1 384.564 3.554 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000606640267 863742453 /nfs/dbraw/zinc/74/24/53/863742453.db2.gz PFTFMMSOSBYDSV-FQEVSTJZSA-N 2 1 380.621 3.795 20 0 GHADMP Cc1csc(-c2cccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2)n1 ZINC000606772219 863807385 /nfs/dbraw/zinc/80/73/85/863807385.db2.gz FHHCXFNOPUTWSH-UHFFFAOYSA-N 2 1 393.516 3.518 20 0 GHADMP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606901456 863924936 /nfs/dbraw/zinc/92/49/36/863924936.db2.gz QGRBPQODJLUBPD-RTWAWAEBSA-N 2 1 396.531 3.636 20 0 GHADMP O[C@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606901456 863924952 /nfs/dbraw/zinc/92/49/52/863924952.db2.gz QGRBPQODJLUBPD-RTWAWAEBSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)sc2c1)C1CC1 ZINC000667611494 863959625 /nfs/dbraw/zinc/95/96/25/863959625.db2.gz QGSWCBORFXWMKV-AEFFLSMTSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)sc2c1)C1CC1 ZINC000667611494 863959632 /nfs/dbraw/zinc/95/96/32/863959632.db2.gz QGSWCBORFXWMKV-AEFFLSMTSA-N 2 1 399.564 3.639 20 0 GHADMP C[NH+](Cc1ccc2nc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)sc2c1)C1CC1 ZINC000667611494 863959637 /nfs/dbraw/zinc/95/96/37/863959637.db2.gz QGSWCBORFXWMKV-AEFFLSMTSA-N 2 1 399.564 3.639 20 0 GHADMP C[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172806092 864008611 /nfs/dbraw/zinc/00/86/11/864008611.db2.gz YDTGAIAELZXKIH-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172806092 864008627 /nfs/dbraw/zinc/00/86/27/864008627.db2.gz YDTGAIAELZXKIH-FQEVSTJZSA-N 2 1 387.568 3.840 20 0 GHADMP COc1cc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000621391858 864116135 /nfs/dbraw/zinc/11/61/35/864116135.db2.gz WVMXXNMVSOKZAM-NQIIRXRSSA-N 2 1 398.547 3.985 20 0 GHADMP COc1cc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000621391858 864116143 /nfs/dbraw/zinc/11/61/43/864116143.db2.gz WVMXXNMVSOKZAM-NQIIRXRSSA-N 2 1 398.547 3.985 20 0 GHADMP COc1cc(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000621391860 864116177 /nfs/dbraw/zinc/11/61/77/864116177.db2.gz WVMXXNMVSOKZAM-WIYYLYMNSA-N 2 1 398.547 3.985 20 0 GHADMP COc1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(OC)c1O ZINC000621391860 864116184 /nfs/dbraw/zinc/11/61/84/864116184.db2.gz WVMXXNMVSOKZAM-WIYYLYMNSA-N 2 1 398.547 3.985 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000607284468 864243294 /nfs/dbraw/zinc/24/32/94/864243294.db2.gz JBFBHPBSSKOVLE-RTWAWAEBSA-N 2 1 383.536 3.833 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000475127670 864267379 /nfs/dbraw/zinc/26/73/79/864267379.db2.gz DHNJGMSBCABKMR-PKTZIBPZSA-N 2 1 394.563 3.514 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000132845175 881750387 /nfs/dbraw/zinc/75/03/87/881750387.db2.gz AVOWGQIYLKWNEO-ZWKOTPCHSA-N 2 1 392.975 3.694 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccc(Cl)cc1 ZINC000132845175 881750399 /nfs/dbraw/zinc/75/03/99/881750399.db2.gz AVOWGQIYLKWNEO-ZWKOTPCHSA-N 2 1 392.975 3.694 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000554452054 864341273 /nfs/dbraw/zinc/34/12/73/864341273.db2.gz RCOZOJNYSIAYKB-GMKZXUHWSA-N 2 1 396.575 3.852 20 0 GHADMP Cc1ccccc1COc1c(C)cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000734841296 864471424 /nfs/dbraw/zinc/47/14/24/864471424.db2.gz NDRSAYDKBMSHDN-QHCPKHFHSA-N 2 1 382.548 3.737 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@@H]1Oc1ccccc1 ZINC000480327244 864504452 /nfs/dbraw/zinc/50/44/52/864504452.db2.gz LMGVCVKKFSNDFV-VXNXHJTFSA-N 2 1 380.532 3.866 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cnn(Cc4ccccc4)c3)CC2)[nH+]c1 ZINC000163519836 864529280 /nfs/dbraw/zinc/52/92/80/864529280.db2.gz FNKVCYIMZVGKKN-LJQANCHMSA-N 2 1 375.520 3.954 20 0 GHADMP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)s1 ZINC000165542032 864681838 /nfs/dbraw/zinc/68/18/38/864681838.db2.gz FVPBIOCZFRZWMF-MSOLQXFVSA-N 2 1 378.586 3.857 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000166241001 864725638 /nfs/dbraw/zinc/72/56/38/864725638.db2.gz BEFGOYFUNMGGTM-NOZRDPDXSA-N 2 1 393.575 3.692 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000120920412 881801618 /nfs/dbraw/zinc/80/16/18/881801618.db2.gz MXDUZWIBXRVTEM-VQTJNVASSA-N 2 1 392.975 3.601 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000120920412 881801630 /nfs/dbraw/zinc/80/16/30/881801630.db2.gz MXDUZWIBXRVTEM-VQTJNVASSA-N 2 1 392.975 3.601 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC2)cs1 ZINC000182651805 864923070 /nfs/dbraw/zinc/92/30/70/864923070.db2.gz LSOWMATXESPYFK-OAHLLOKOSA-N 2 1 381.586 3.627 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[N@H+]1C ZINC000608061198 864954786 /nfs/dbraw/zinc/95/47/86/864954786.db2.gz GHAYDVXPLIVUER-AVRDEDQJSA-N 2 1 375.520 3.566 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000480606751 864964376 /nfs/dbraw/zinc/96/43/76/864964376.db2.gz FCBMRCJQSNMPSY-AUSIDOKSSA-N 2 1 377.532 3.814 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000480606751 864964381 /nfs/dbraw/zinc/96/43/81/864964381.db2.gz FCBMRCJQSNMPSY-AUSIDOKSSA-N 2 1 377.532 3.814 20 0 GHADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480622645 864987764 /nfs/dbraw/zinc/98/77/64/864987764.db2.gz VVMFZAZGHRHQEG-SBUREZEXSA-N 2 1 395.522 3.627 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000480693988 865099484 /nfs/dbraw/zinc/09/94/84/865099484.db2.gz KJVHKVBPAXCUOX-HSZRJFAPSA-N 2 1 397.607 3.808 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000480693988 865099499 /nfs/dbraw/zinc/09/94/99/865099499.db2.gz KJVHKVBPAXCUOX-HSZRJFAPSA-N 2 1 397.607 3.808 20 0 GHADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000480693988 865099512 /nfs/dbraw/zinc/09/95/12/865099512.db2.gz KJVHKVBPAXCUOX-HSZRJFAPSA-N 2 1 397.607 3.808 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000667734964 865141388 /nfs/dbraw/zinc/14/13/88/865141388.db2.gz CTYQSRXSZCYTIM-UXHICEINSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000667734964 865141391 /nfs/dbraw/zinc/14/13/91/865141391.db2.gz CTYQSRXSZCYTIM-UXHICEINSA-N 2 1 388.462 3.769 20 0 GHADMP Cc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000171159972 865160826 /nfs/dbraw/zinc/16/08/26/865160826.db2.gz QTBYSIYOHIXJIS-UHFFFAOYSA-N 2 1 385.577 3.578 20 0 GHADMP Cc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)s1 ZINC000171159972 865160836 /nfs/dbraw/zinc/16/08/36/865160836.db2.gz QTBYSIYOHIXJIS-UHFFFAOYSA-N 2 1 385.577 3.578 20 0 GHADMP COc1cccc2c1CC[C@H]2[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000480781039 865255517 /nfs/dbraw/zinc/25/55/17/865255517.db2.gz QFPRUQRSBXSFDT-DHIUTWEWSA-N 2 1 379.548 3.651 20 0 GHADMP COc1ccc2c(c1)C[NH+](CCCC[N@@H+]1CCc3ccc(OC)cc3C1)CC2 ZINC000555022612 865334300 /nfs/dbraw/zinc/33/43/00/865334300.db2.gz AOCFVRBQQAHUIS-UHFFFAOYSA-N 2 1 380.532 3.900 20 0 GHADMP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237793 865603146 /nfs/dbraw/zinc/60/31/46/865603146.db2.gz IKQPRZPZJNDCTI-IBGZPJMESA-N 2 1 395.547 3.744 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H]2CCC[C@H]21 ZINC000514103269 865688226 /nfs/dbraw/zinc/68/82/26/865688226.db2.gz AZLQOQIWLRPZHP-RJGXRXQPSA-N 2 1 376.548 3.607 20 0 GHADMP Fc1ccc(Br)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173946605 865859109 /nfs/dbraw/zinc/85/91/09/865859109.db2.gz WYXNZEWIDOACCV-UHFFFAOYSA-N 2 1 385.321 3.665 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494563076 881917593 /nfs/dbraw/zinc/91/75/93/881917593.db2.gz HNFZLYAGSIMWTB-MOPGFXCFSA-N 2 1 380.458 3.913 20 0 GHADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000671305691 866107456 /nfs/dbraw/zinc/10/74/56/866107456.db2.gz MHKCTEMTBKKKQT-GOSISDBHSA-N 2 1 390.984 3.675 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)[C@H](C)C1 ZINC000185461005 866126053 /nfs/dbraw/zinc/12/60/53/866126053.db2.gz SJDQKRXZAJIHCX-VKJFTORMSA-N 2 1 399.373 3.942 20 0 GHADMP FC(F)(F)c1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)c1 ZINC000655718921 866156186 /nfs/dbraw/zinc/15/61/86/866156186.db2.gz GMAPCOVKFCEMFA-IBGZPJMESA-N 2 1 382.470 3.970 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COc2ccccc2C(C)C)cc1F ZINC000552838439 866331849 /nfs/dbraw/zinc/33/18/49/866331849.db2.gz TXCVAPKXHDXIQB-IBGZPJMESA-N 2 1 397.494 3.973 20 0 GHADMP Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000189681512 881974677 /nfs/dbraw/zinc/97/46/77/881974677.db2.gz ZREJFSGAJKCIMA-IFMALSPDSA-N 2 1 396.535 3.502 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1N(C)C ZINC000153492870 866536078 /nfs/dbraw/zinc/53/60/78/866536078.db2.gz NSIBNXQGCNEAKG-MSOLQXFVSA-N 2 1 385.527 3.963 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(F)cc1N(C)C ZINC000153492870 866536095 /nfs/dbraw/zinc/53/60/95/866536095.db2.gz NSIBNXQGCNEAKG-MSOLQXFVSA-N 2 1 385.527 3.963 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c2cccs2)CC1 ZINC000534352398 866602633 /nfs/dbraw/zinc/60/26/33/866602633.db2.gz JCPGHFOTEUVUFE-KSEOMHKRSA-N 2 1 399.604 3.794 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494587578 881994242 /nfs/dbraw/zinc/99/42/42/881994242.db2.gz TUJOOTQEGBXGEC-QFIPXVFZSA-N 2 1 386.584 3.736 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000620496760 866793806 /nfs/dbraw/zinc/79/38/06/866793806.db2.gz IRZCJMOIKXQPIW-UHFFFAOYSA-N 2 1 376.504 3.953 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000553167248 866895145 /nfs/dbraw/zinc/89/51/45/866895145.db2.gz AHJJXWQGRLJRKM-GHTZIAJQSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000553167248 866895162 /nfs/dbraw/zinc/89/51/62/866895162.db2.gz AHJJXWQGRLJRKM-GHTZIAJQSA-N 2 1 385.939 3.581 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000444594273 866918376 /nfs/dbraw/zinc/91/83/76/866918376.db2.gz SEWOAEAFYCBQHF-YLJYHZDGSA-N 2 1 395.551 3.615 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000444594273 866918395 /nfs/dbraw/zinc/91/83/95/866918395.db2.gz SEWOAEAFYCBQHF-YLJYHZDGSA-N 2 1 395.551 3.615 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000153549952 866942568 /nfs/dbraw/zinc/94/25/68/866942568.db2.gz PMQKRSUWYDKNOP-OAQYLSRUSA-N 2 1 392.632 3.796 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H]1c1cccs1 ZINC000479042641 867062648 /nfs/dbraw/zinc/06/26/48/867062648.db2.gz OHUCEDOUTWGPSM-PKOBYXMFSA-N 2 1 392.613 3.552 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)CC[N@H+]1C ZINC000444715547 867127016 /nfs/dbraw/zinc/12/70/16/867127016.db2.gz DGGGVJRBFXJYSG-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH+]1C ZINC000444715547 867127025 /nfs/dbraw/zinc/12/70/25/867127025.db2.gz DGGGVJRBFXJYSG-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH+]1C ZINC000444715547 867127034 /nfs/dbraw/zinc/12/70/34/867127034.db2.gz DGGGVJRBFXJYSG-UNMCSNQZSA-N 2 1 398.595 3.699 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H]1c1ccccc1 ZINC000534612070 867138784 /nfs/dbraw/zinc/13/87/84/867138784.db2.gz SBYBGFWYAYOZNY-RJGXRXQPSA-N 2 1 392.547 3.568 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000153901654 867143715 /nfs/dbraw/zinc/14/37/15/867143715.db2.gz LKNICHKPBQNGOM-HDICACEKSA-N 2 1 399.501 3.575 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000153901654 867143721 /nfs/dbraw/zinc/14/37/21/867143721.db2.gz LKNICHKPBQNGOM-HDICACEKSA-N 2 1 399.501 3.575 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCC[C@H]1C ZINC000553432283 867387925 /nfs/dbraw/zinc/38/79/25/867387925.db2.gz XRFDDYKAQYPNGZ-DPLHUUCSSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1CCCC[C@H]1C ZINC000553432283 867387940 /nfs/dbraw/zinc/38/79/40/867387940.db2.gz XRFDDYKAQYPNGZ-DPLHUUCSSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H](CNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@H+]1CCCC[C@H]1C ZINC000553432283 867387957 /nfs/dbraw/zinc/38/79/57/867387957.db2.gz XRFDDYKAQYPNGZ-DPLHUUCSSA-N 2 1 398.595 3.557 20 0 GHADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1Br ZINC000154550465 867459787 /nfs/dbraw/zinc/45/97/87/867459787.db2.gz UERMGZGVXPTKOS-IBGZPJMESA-N 2 1 382.390 3.908 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000620772831 867461912 /nfs/dbraw/zinc/46/19/12/867461912.db2.gz PGEWNRPTZSTHOQ-FYYLOGMGSA-N 2 1 394.563 3.501 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000620796090 867501880 /nfs/dbraw/zinc/50/18/80/867501880.db2.gz KUUOOLLRZUVMFA-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000620796090 867501888 /nfs/dbraw/zinc/50/18/88/867501888.db2.gz KUUOOLLRZUVMFA-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000620796090 867501895 /nfs/dbraw/zinc/50/18/95/867501895.db2.gz KUUOOLLRZUVMFA-RPWUZVMVSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)CC2)[nH+]c1 ZINC000171316965 882097827 /nfs/dbraw/zinc/09/78/27/882097827.db2.gz VKTBDWALSLIONE-OAQYLSRUSA-N 2 1 398.595 3.721 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000857200787 882111131 /nfs/dbraw/zinc/11/11/31/882111131.db2.gz MMZWPCXWVQRKFC-UXHICEINSA-N 2 1 391.559 3.775 20 0 GHADMP c1cc(C[NH+]2CCOCC23CCCC3)cc(C[N@H+]2CCOCC23CCCC3)c1 ZINC000534965187 867835951 /nfs/dbraw/zinc/83/59/51/867835951.db2.gz NZTVOCZSBMIYFX-UHFFFAOYSA-N 2 1 384.564 3.977 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC1 ZINC000479516291 867942962 /nfs/dbraw/zinc/94/29/62/867942962.db2.gz MOKGVDOWDABNKC-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000479516291 867942973 /nfs/dbraw/zinc/94/29/73/867942973.db2.gz MOKGVDOWDABNKC-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000479516291 867942984 /nfs/dbraw/zinc/94/29/84/867942984.db2.gz MOKGVDOWDABNKC-IBGZPJMESA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000553777009 868183039 /nfs/dbraw/zinc/18/30/39/868183039.db2.gz SMVRRHAQCDHFQL-YFVAEKQCSA-N 2 1 384.568 3.578 20 0 GHADMP CCC[N@H+](C)[C@@H](CNC(=O)NCCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000553785938 868226026 /nfs/dbraw/zinc/22/60/26/868226026.db2.gz ILMIOEZZXZERPI-IBGZPJMESA-N 2 1 391.947 3.617 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000553785938 868226035 /nfs/dbraw/zinc/22/60/35/868226035.db2.gz ILMIOEZZXZERPI-IBGZPJMESA-N 2 1 391.947 3.617 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000133313232 882168093 /nfs/dbraw/zinc/16/80/93/882168093.db2.gz MNJQDVNITWKDHP-IHPCNDPISA-N 2 1 376.541 3.636 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1OC ZINC000156955326 868513427 /nfs/dbraw/zinc/51/34/27/868513427.db2.gz CRBPEUAUQQRCFR-RBBKRZOGSA-N 2 1 395.547 3.633 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC[C@H](C)C2)C1 ZINC000457668391 868604772 /nfs/dbraw/zinc/60/47/72/868604772.db2.gz WYYYIFMKDQYGFU-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000457668391 868604777 /nfs/dbraw/zinc/60/47/77/868604777.db2.gz WYYYIFMKDQYGFU-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000457668391 868604783 /nfs/dbraw/zinc/60/47/83/868604783.db2.gz WYYYIFMKDQYGFU-SIKLNZKXSA-N 2 1 386.584 3.543 20 0 GHADMP CCC[NH+]1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCO[C@H](C)C2)CC1 ZINC000157279514 868610463 /nfs/dbraw/zinc/61/04/63/868610463.db2.gz CAMCPBIAIHTBDO-OXQOHEQNSA-N 2 1 397.966 3.705 20 0 GHADMP COc1cccc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000157503750 868671299 /nfs/dbraw/zinc/67/12/99/868671299.db2.gz RTKLFGCYYIPTFU-QFIPXVFZSA-N 2 1 393.575 3.818 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)C1 ZINC000667569760 868682153 /nfs/dbraw/zinc/68/21/53/868682153.db2.gz RVASXSFOJCAYJP-ZIFCJYIRSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000667569760 868682158 /nfs/dbraw/zinc/68/21/58/868682158.db2.gz RVASXSFOJCAYJP-ZIFCJYIRSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000667569760 868682163 /nfs/dbraw/zinc/68/21/63/868682163.db2.gz RVASXSFOJCAYJP-ZIFCJYIRSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000667569760 868682166 /nfs/dbraw/zinc/68/21/66/868682166.db2.gz RVASXSFOJCAYJP-ZIFCJYIRSA-N 2 1 394.563 3.633 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000667569760 868682172 /nfs/dbraw/zinc/68/21/72/868682172.db2.gz RVASXSFOJCAYJP-ZIFCJYIRSA-N 2 1 394.563 3.633 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000479929905 868740475 /nfs/dbraw/zinc/74/04/75/868740475.db2.gz WYRNOFVCLNYCKV-RTBURBONSA-N 2 1 395.613 3.632 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000479929905 868740483 /nfs/dbraw/zinc/74/04/83/868740483.db2.gz WYRNOFVCLNYCKV-RTBURBONSA-N 2 1 395.613 3.632 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1-n1cccn1 ZINC000479929426 868741723 /nfs/dbraw/zinc/74/17/23/868741723.db2.gz LZXIULMJTNLYKZ-LJQANCHMSA-N 2 1 376.504 3.555 20 0 GHADMP COc1cc2c(N[C@H](C[NH+]3CCOCC3)c3ccccc3)cc[nH+]c2cc1F ZINC000479929392 868741797 /nfs/dbraw/zinc/74/17/97/868741797.db2.gz LSLJRKHWTQTQMP-OAQYLSRUSA-N 2 1 381.451 3.868 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[N@@H+]1C ZINC000394557110 882254421 /nfs/dbraw/zinc/25/44/21/882254421.db2.gz HJGFTUDFWOEEIS-QMTHXVAHSA-N 2 1 376.136 3.784 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2)CC[N@H+]1C ZINC000394557110 882254435 /nfs/dbraw/zinc/25/44/35/882254435.db2.gz HJGFTUDFWOEEIS-QMTHXVAHSA-N 2 1 376.136 3.784 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000524422972 869049747 /nfs/dbraw/zinc/04/97/47/869049747.db2.gz QBKIHWQXNBPUTC-HXUWFJFHSA-N 2 1 383.511 3.781 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000190764960 882263593 /nfs/dbraw/zinc/26/35/93/882263593.db2.gz MENKOTFKSGPEIP-FQEVSTJZSA-N 2 1 396.579 3.686 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000524669143 869428942 /nfs/dbraw/zinc/42/89/42/869428942.db2.gz QYUFLDOMXDQJCC-FQEVSTJZSA-N 2 1 397.538 3.861 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000524669143 869428951 /nfs/dbraw/zinc/42/89/51/869428951.db2.gz QYUFLDOMXDQJCC-FQEVSTJZSA-N 2 1 397.538 3.861 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000524669143 869428964 /nfs/dbraw/zinc/42/89/64/869428964.db2.gz QYUFLDOMXDQJCC-FQEVSTJZSA-N 2 1 397.538 3.861 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000524669143 869428974 /nfs/dbraw/zinc/42/89/74/869428974.db2.gz QYUFLDOMXDQJCC-FQEVSTJZSA-N 2 1 397.538 3.861 20 0 GHADMP C[C@@]1(CCCO)CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000539613377 869444388 /nfs/dbraw/zinc/44/43/88/869444388.db2.gz BLDUKBQNZZYTCB-ZEQRLZLVSA-N 2 1 388.596 3.941 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)cc1 ZINC000539658022 869543509 /nfs/dbraw/zinc/54/35/09/869543509.db2.gz KMDHMZOCRBWOGD-HTAPYJJXSA-N 2 1 390.535 3.889 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000539714145 869655108 /nfs/dbraw/zinc/65/51/08/869655108.db2.gz MBSZXBAEAGFAOL-IBGZPJMESA-N 2 1 381.923 3.637 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000524923853 869793275 /nfs/dbraw/zinc/79/32/75/869793275.db2.gz CXRHJSSZHAJCIR-CTNGQTDRSA-N 2 1 388.600 3.659 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1 ZINC000539862756 869913527 /nfs/dbraw/zinc/91/35/27/869913527.db2.gz VMONCFUPZBAQDI-UHFFFAOYSA-N 2 1 384.948 3.680 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000525107182 869987906 /nfs/dbraw/zinc/98/79/06/869987906.db2.gz OUQHFKOCQPRHSO-VIZSFHNOSA-N 2 1 385.596 3.518 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000462748556 870015302 /nfs/dbraw/zinc/01/53/02/870015302.db2.gz DAFUQWCXQXCRDR-XZOQPEGZSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc(C)c1I ZINC001205591043 870254438 /nfs/dbraw/zinc/25/44/38/870254438.db2.gz BZKYGFCETULFLD-MRXNPFEDSA-N 2 1 390.284 3.561 20 0 GHADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000122068528 882387631 /nfs/dbraw/zinc/38/76/31/882387631.db2.gz ZXQLDECUOLVPTK-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000122068528 882387652 /nfs/dbraw/zinc/38/76/52/882387652.db2.gz ZXQLDECUOLVPTK-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2ccccc2o1 ZINC000248183714 870312580 /nfs/dbraw/zinc/31/25/80/870312580.db2.gz WXSVCUDRSIVYSD-DYESRHJHSA-N 2 1 391.515 3.981 20 0 GHADMP C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775524289 870342853 /nfs/dbraw/zinc/34/28/53/870342853.db2.gz FAZIDYRRGRVZDM-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000248388961 870357464 /nfs/dbraw/zinc/35/74/64/870357464.db2.gz AFFBNNFPDDCNGC-LFALDJFMSA-N 2 1 383.580 3.522 20 0 GHADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000248388961 870357472 /nfs/dbraw/zinc/35/74/72/870357472.db2.gz AFFBNNFPDDCNGC-LFALDJFMSA-N 2 1 383.580 3.522 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)CC2)nc1 ZINC000248406034 870379220 /nfs/dbraw/zinc/37/92/20/870379220.db2.gz BOAPDGVLFDVEQB-GMKZXUHWSA-N 2 1 390.575 3.859 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cc(F)ccc2C)CC1 ZINC000122040894 882403399 /nfs/dbraw/zinc/40/33/99/882403399.db2.gz ZJBUVESSMOBQMP-GOSISDBHSA-N 2 1 393.547 3.532 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@@H](C)C1 ZINC000248428091 870407755 /nfs/dbraw/zinc/40/77/55/870407755.db2.gz QPUGPRFJFBCRBU-WMZHIEFXSA-N 2 1 397.563 3.984 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(-c3ccncc3)ccc2OC)[C@@H](C)C1 ZINC000248428091 870407964 /nfs/dbraw/zinc/40/79/64/870407964.db2.gz QPUGPRFJFBCRBU-WMZHIEFXSA-N 2 1 397.563 3.984 20 0 GHADMP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)oc21 ZINC000248464911 870444250 /nfs/dbraw/zinc/44/42/50/870444250.db2.gz ZRBBWHKFCJYOMN-OXQOHEQNSA-N 2 1 380.488 3.859 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1)C1CC1 ZINC000540100488 870466992 /nfs/dbraw/zinc/46/69/92/870466992.db2.gz ZOJZSOGCHIOXKY-UHFFFAOYSA-N 2 1 392.547 3.712 20 0 GHADMP CC[C@]1(CO)CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000249532789 870859852 /nfs/dbraw/zinc/85/98/52/870859852.db2.gz BKJJRAYQFHVZKM-ZEQRLZLVSA-N 2 1 388.596 3.656 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249725599 870890380 /nfs/dbraw/zinc/89/03/80/870890380.db2.gz LYJYTEYDXUPYHF-RTBURBONSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249725599 870890394 /nfs/dbraw/zinc/89/03/94/870890394.db2.gz LYJYTEYDXUPYHF-RTBURBONSA-N 2 1 397.567 3.559 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001168835611 870892695 /nfs/dbraw/zinc/89/26/95/870892695.db2.gz UMJPFLPMDFRTTE-CRAIPNDOSA-N 2 1 393.959 3.988 20 0 GHADMP C[C@@H]1C[C@H](NCc2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463115042 870916195 /nfs/dbraw/zinc/91/61/95/870916195.db2.gz WFEXLXQUWGUXOB-NFBKMPQASA-N 2 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000463115042 870916206 /nfs/dbraw/zinc/91/62/06/870916206.db2.gz WFEXLXQUWGUXOB-NFBKMPQASA-N 2 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000463115042 870916221 /nfs/dbraw/zinc/91/62/21/870916221.db2.gz WFEXLXQUWGUXOB-NFBKMPQASA-N 3 1 381.564 3.770 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000463115042 870916231 /nfs/dbraw/zinc/91/62/31/870916231.db2.gz WFEXLXQUWGUXOB-NFBKMPQASA-N 3 1 381.564 3.770 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000447055698 870929488 /nfs/dbraw/zinc/92/94/88/870929488.db2.gz VPBVQTAQMSKNME-LJQANCHMSA-N 2 1 390.616 3.547 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000463116570 870953713 /nfs/dbraw/zinc/95/37/13/870953713.db2.gz CVVBLFCPODRZQZ-UEVCKROQSA-N 2 1 384.568 3.699 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001193248530 870973407 /nfs/dbraw/zinc/97/34/07/870973407.db2.gz FFRXDZLSECXCBB-AKHDSKFASA-N 2 1 379.589 3.732 20 0 GHADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000461800024 870982690 /nfs/dbraw/zinc/98/26/90/870982690.db2.gz GSGCAIXCBBDAID-TUNNFDKTSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461800024 870982706 /nfs/dbraw/zinc/98/27/06/870982706.db2.gz GSGCAIXCBBDAID-TUNNFDKTSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000461800024 870982715 /nfs/dbraw/zinc/98/27/15/870982715.db2.gz GSGCAIXCBBDAID-TUNNFDKTSA-N 2 1 388.600 3.801 20 0 GHADMP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000897351853 871013658 /nfs/dbraw/zinc/01/36/58/871013658.db2.gz BAIGAFKDOFAJQT-KPLVRAHFSA-N 2 1 387.568 3.504 20 0 GHADMP COc1ccc(CN2CC[C@@H]([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)CC2=O)cc1 ZINC001168941008 871026807 /nfs/dbraw/zinc/02/68/07/871026807.db2.gz KKEHNGWHEQVAEF-FCHUYYIVSA-N 2 1 399.579 3.527 20 0 GHADMP COc1ccc(CN2CC[C@@H]([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)CC2=O)cc1 ZINC001168941011 871026892 /nfs/dbraw/zinc/02/68/92/871026892.db2.gz KKEHNGWHEQVAEF-FGZHOGPDSA-N 2 1 399.579 3.527 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3ccc(F)c(F)c3)CC2)cc1 ZINC000463156217 871032873 /nfs/dbraw/zinc/03/28/73/871032873.db2.gz SCTQAMZMQVIZIM-UHFFFAOYSA-N 2 1 378.438 3.779 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000158675363 871067129 /nfs/dbraw/zinc/06/71/29/871067129.db2.gz ZGWBQWFVIRMUSQ-HDICACEKSA-N 2 1 391.987 3.902 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463207786 871139834 /nfs/dbraw/zinc/13/98/34/871139834.db2.gz UPQTYYBKEUYDEK-WMZHIEFXSA-N 2 1 397.538 3.805 20 0 GHADMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000463207786 871139843 /nfs/dbraw/zinc/13/98/43/871139843.db2.gz UPQTYYBKEUYDEK-WMZHIEFXSA-N 2 1 397.538 3.805 20 0 GHADMP Cc1ncc([C@@H](C)[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)c(C)n1 ZINC000540394337 871160876 /nfs/dbraw/zinc/16/08/76/871160876.db2.gz NTTVIDMQRBFYNL-CEXWTWQISA-N 2 1 396.579 3.953 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H](Cc3ccccc3)CC(C)C)CC2)C1 ZINC001169086291 871192651 /nfs/dbraw/zinc/19/26/51/871192651.db2.gz TXLJSFBHDSKERB-JTHBVZDNSA-N 2 1 386.580 3.993 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131437 871221625 /nfs/dbraw/zinc/22/16/25/871221625.db2.gz URGAEQLQMJMKRA-XLSPSMHOSA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131437 871221646 /nfs/dbraw/zinc/22/16/46/871221646.db2.gz URGAEQLQMJMKRA-XLSPSMHOSA-N 2 1 399.526 3.580 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CCC3(F)F)C2 ZINC001169131437 871221665 /nfs/dbraw/zinc/22/16/65/871221665.db2.gz URGAEQLQMJMKRA-XLSPSMHOSA-N 2 1 399.526 3.580 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C3CCN(C(=O)c4ccccc4)CC3)CC1)C2 ZINC001169143325 871251514 /nfs/dbraw/zinc/25/15/14/871251514.db2.gz ZUXVAQPVJJMYGZ-BKFWDETESA-N 2 1 395.591 3.876 20 0 GHADMP Cc1cc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000539107231 871282443 /nfs/dbraw/zinc/28/24/43/871282443.db2.gz QNQIDUFDKKHDLS-KDURUIRLSA-N 2 1 383.536 3.638 20 0 GHADMP Cc1cc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc2[nH+]1 ZINC000539107231 871282458 /nfs/dbraw/zinc/28/24/58/871282458.db2.gz QNQIDUFDKKHDLS-KDURUIRLSA-N 2 1 383.536 3.638 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000447307850 871348838 /nfs/dbraw/zinc/34/88/38/871348838.db2.gz XWMIDUHQBCRZLF-PZJWPPBQSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000447307850 871348856 /nfs/dbraw/zinc/34/88/56/871348856.db2.gz XWMIDUHQBCRZLF-PZJWPPBQSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000447307850 871348877 /nfs/dbraw/zinc/34/88/77/871348877.db2.gz XWMIDUHQBCRZLF-PZJWPPBQSA-N 2 1 380.536 3.704 20 0 GHADMP Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000447307850 871348890 /nfs/dbraw/zinc/34/88/90/871348890.db2.gz XWMIDUHQBCRZLF-PZJWPPBQSA-N 2 1 380.536 3.704 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cc(Br)c(Br)o2)CCC[C@@H]1C[NH3+] ZINC001206005926 871397800 /nfs/dbraw/zinc/39/78/00/871397800.db2.gz ZJRLUZKSBRJORP-NXEZZACHSA-N 2 1 380.124 3.611 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc(Br)c(Br)o2)CCC[C@@H]1C[NH3+] ZINC001206005926 871397820 /nfs/dbraw/zinc/39/78/20/871397820.db2.gz ZJRLUZKSBRJORP-NXEZZACHSA-N 2 1 380.124 3.611 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1)CC(C)C ZINC000539172824 871460412 /nfs/dbraw/zinc/46/04/12/871460412.db2.gz MWTPTCHKJSEFEU-HXUWFJFHSA-N 2 1 380.621 3.508 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001169453032 871514492 /nfs/dbraw/zinc/51/44/92/871514492.db2.gz SJEMEMDCGVEVPT-HNNXBMFYSA-N 2 1 385.474 3.602 20 0 GHADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cc1OCCCO ZINC000463364198 871539116 /nfs/dbraw/zinc/53/91/16/871539116.db2.gz FZCAHMXDSJAKDF-INIZCTEOSA-N 2 1 399.373 3.737 20 0 GHADMP COC(=O)[C@@](C)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000191577972 882521956 /nfs/dbraw/zinc/52/19/56/882521956.db2.gz LAFNDYUKMGLZQP-DEOSSOPVSA-N 2 1 398.522 3.553 20 0 GHADMP Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000539288151 871641764 /nfs/dbraw/zinc/64/17/64/871641764.db2.gz CKRUNCDHLOCLSJ-TUNNFDKTSA-N 2 1 379.548 3.733 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462191681 871822575 /nfs/dbraw/zinc/82/25/75/871822575.db2.gz WCIBSWRKMOCXFO-RDPSFJRHSA-N 2 1 391.559 3.535 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001169781729 871873583 /nfs/dbraw/zinc/87/35/83/871873583.db2.gz URYSQHOCKVOYIU-VQTJNVASSA-N 2 1 397.607 3.939 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@@H]2CCC[C@@H]21 ZINC000552063988 871962765 /nfs/dbraw/zinc/96/27/65/871962765.db2.gz UKHAJLKSMUXMBC-FHWLQOOXSA-N 2 1 389.341 3.597 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2)C1 ZINC000508604717 872041211 /nfs/dbraw/zinc/04/12/11/872041211.db2.gz IRFBUJZFJHTSDW-IBGZPJMESA-N 2 1 379.548 3.910 20 0 GHADMP C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001194964910 872058889 /nfs/dbraw/zinc/05/88/89/872058889.db2.gz RDWWDINWZZBNHZ-CBGDNZLLSA-N 2 1 385.939 3.770 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000775622479 872065254 /nfs/dbraw/zinc/06/52/54/872065254.db2.gz WGDRQIMVRGVSGV-QHAWAJNXSA-N 2 1 387.568 3.934 20 0 GHADMP CCC[N@H+](Cc1ccc(OC)c(O)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417556 872166800 /nfs/dbraw/zinc/16/68/00/872166800.db2.gz MFYWXRSEVDVFEW-UHFFFAOYSA-N 2 1 384.524 3.689 20 0 GHADMP CCC[N@@H+](Cc1ccc(OC)c(O)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417556 872166812 /nfs/dbraw/zinc/16/68/12/872166812.db2.gz MFYWXRSEVDVFEW-UHFFFAOYSA-N 2 1 384.524 3.689 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000552243542 872298076 /nfs/dbraw/zinc/29/80/76/872298076.db2.gz BGBBQEGMFCSPKM-SNPRPXQTSA-N 2 1 376.854 3.628 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093643845 872314494 /nfs/dbraw/zinc/31/44/94/872314494.db2.gz MNHGOCBEFDROLT-UKRRQHHQSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093643845 872314499 /nfs/dbraw/zinc/31/44/99/872314499.db2.gz MNHGOCBEFDROLT-UKRRQHHQSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093643845 872314510 /nfs/dbraw/zinc/31/45/10/872314510.db2.gz MNHGOCBEFDROLT-UKRRQHHQSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093643845 872314517 /nfs/dbraw/zinc/31/45/17/872314517.db2.gz MNHGOCBEFDROLT-UKRRQHHQSA-N 2 1 385.346 3.771 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000552270849 872333223 /nfs/dbraw/zinc/33/32/23/872333223.db2.gz GBIOPUNLBSPTCL-FCLVOEFKSA-N 2 1 383.458 3.626 20 0 GHADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093705526 872354176 /nfs/dbraw/zinc/35/41/76/872354176.db2.gz MFBSRCGUZZNOIB-IAGOWNOFSA-N 2 1 387.959 3.506 20 0 GHADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093705526 872354190 /nfs/dbraw/zinc/35/41/90/872354190.db2.gz MFBSRCGUZZNOIB-IAGOWNOFSA-N 2 1 387.959 3.506 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@H]2CCC[C@H]21 ZINC000552275971 872372272 /nfs/dbraw/zinc/37/22/72/872372272.db2.gz GOQUELIGGUXKNU-VHDGCEQUSA-N 2 1 377.838 3.595 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000448205435 873042282 /nfs/dbraw/zinc/04/22/82/873042282.db2.gz PTHMVGOXLPQUON-ACIOBRDBSA-N 2 1 398.595 3.728 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000448469981 873435743 /nfs/dbraw/zinc/43/57/43/873435743.db2.gz ZKJCDRWGYFJMCZ-SIKLNZKXSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197032447 873555913 /nfs/dbraw/zinc/55/59/13/873555913.db2.gz QYOCXFXOOAWSTA-JPSKQPRPSA-N 2 1 377.573 3.581 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197032447 873555922 /nfs/dbraw/zinc/55/59/22/873555922.db2.gz QYOCXFXOOAWSTA-JPSKQPRPSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197032447 873555933 /nfs/dbraw/zinc/55/59/33/873555933.db2.gz QYOCXFXOOAWSTA-JPSKQPRPSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001197032447 873555936 /nfs/dbraw/zinc/55/59/36/873555936.db2.gz QYOCXFXOOAWSTA-JPSKQPRPSA-N 2 1 377.573 3.581 20 0 GHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000541599931 873920333 /nfs/dbraw/zinc/92/03/33/873920333.db2.gz RKWSVJKEKIBTAD-PKOBYXMFSA-N 2 1 378.582 3.611 20 0 GHADMP CC(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000541599931 873920338 /nfs/dbraw/zinc/92/03/38/873920338.db2.gz RKWSVJKEKIBTAD-PKOBYXMFSA-N 2 1 378.582 3.611 20 0 GHADMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC1 ZINC000528203294 874212521 /nfs/dbraw/zinc/21/25/21/874212521.db2.gz OEWPHDWDBSUCNN-NRFANRHFSA-N 2 1 391.987 3.883 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC1 ZINC000528203294 874212529 /nfs/dbraw/zinc/21/25/29/874212529.db2.gz OEWPHDWDBSUCNN-NRFANRHFSA-N 2 1 391.987 3.883 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528203294 874212540 /nfs/dbraw/zinc/21/25/40/874212540.db2.gz OEWPHDWDBSUCNN-NRFANRHFSA-N 2 1 391.987 3.883 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528203294 874212551 /nfs/dbraw/zinc/21/25/51/874212551.db2.gz OEWPHDWDBSUCNN-NRFANRHFSA-N 2 1 391.987 3.883 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449044166 874409415 /nfs/dbraw/zinc/40/94/15/874409415.db2.gz BWTVRIRNJDONTO-LAUBAEHRSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449044166 874409421 /nfs/dbraw/zinc/40/94/21/874409421.db2.gz BWTVRIRNJDONTO-LAUBAEHRSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000449044166 874409426 /nfs/dbraw/zinc/40/94/26/874409426.db2.gz BWTVRIRNJDONTO-LAUBAEHRSA-N 2 1 389.971 3.625 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000449044166 874409432 /nfs/dbraw/zinc/40/94/32/874409432.db2.gz BWTVRIRNJDONTO-LAUBAEHRSA-N 2 1 389.971 3.625 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000449100194 874470899 /nfs/dbraw/zinc/47/08/99/874470899.db2.gz PZQZMIOASFAQBW-NRFANRHFSA-N 2 1 393.575 3.708 20 0 GHADMP COc1ccc(-n2cc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)cn2)cc1 ZINC000449128818 874513370 /nfs/dbraw/zinc/51/33/70/874513370.db2.gz YFHGRNCKSQVIHO-OAQYLSRUSA-N 2 1 390.531 3.535 20 0 GHADMP COc1ccc(-n2cc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)cn2)cc1 ZINC000449128818 874513377 /nfs/dbraw/zinc/51/33/77/874513377.db2.gz YFHGRNCKSQVIHO-OAQYLSRUSA-N 2 1 390.531 3.535 20 0 GHADMP CCn1nnc(C)c1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000449159299 874538847 /nfs/dbraw/zinc/53/88/47/874538847.db2.gz ZBRZBQHALGRJEK-VQIMIIECSA-N 2 1 395.473 3.798 20 0 GHADMP c1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464848743 874634014 /nfs/dbraw/zinc/63/40/14/874634014.db2.gz AZXJLYHUNWGJTA-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1C[NH+]1CCC[C@H]2COCC[C@@H]21 ZINC000464848743 874634023 /nfs/dbraw/zinc/63/40/23/874634023.db2.gz AZXJLYHUNWGJTA-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1C[NH+]1CCC[C@H]2COCC[C@@H]21 ZINC000464848743 874634030 /nfs/dbraw/zinc/63/40/30/874634030.db2.gz AZXJLYHUNWGJTA-KIHHCIJBSA-N 2 1 384.564 3.688 20 0 GHADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(N3CCC3=O)c2)CC1 ZINC000449302729 874691290 /nfs/dbraw/zinc/69/12/90/874691290.db2.gz KOSLQUDLKOQMQF-IBGZPJMESA-N 2 1 377.532 3.609 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000541982815 874700689 /nfs/dbraw/zinc/70/06/89/874700689.db2.gz BLEMBVPQDLMAEM-QHCPKHFHSA-N 2 1 377.576 3.541 20 0 GHADMP C[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000528561820 874709034 /nfs/dbraw/zinc/70/90/34/874709034.db2.gz SZABQMITFUMZPZ-BJKOFHAPSA-N 2 1 397.607 3.725 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528616421 874801417 /nfs/dbraw/zinc/80/14/17/874801417.db2.gz MAASWDNAGJWFLY-RTWAWAEBSA-N 2 1 389.971 3.781 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528616421 874801426 /nfs/dbraw/zinc/80/14/26/874801426.db2.gz MAASWDNAGJWFLY-RTWAWAEBSA-N 2 1 389.971 3.781 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001199329047 874928637 /nfs/dbraw/zinc/92/86/37/874928637.db2.gz MAIJKMCNUGQZBC-VXKWHMMOSA-N 3 1 386.628 3.676 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000449516834 874984681 /nfs/dbraw/zinc/98/46/81/874984681.db2.gz HTQMZPJLUSHKAU-GGAORHGYSA-N 2 1 383.580 3.610 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH+](Cc4ccccc4)C[C@H](C)C3)sc2C1 ZINC000449558920 875045042 /nfs/dbraw/zinc/04/50/42/875045042.db2.gz YRIHOXGRSXHCKS-IBGZPJMESA-N 2 1 398.620 3.864 20 0 GHADMP CC(C)[NH+]1CCc2nc(CN3CC[N@H+](Cc4ccccc4)C[C@H](C)C3)sc2C1 ZINC000449558920 875045046 /nfs/dbraw/zinc/04/50/46/875045046.db2.gz YRIHOXGRSXHCKS-IBGZPJMESA-N 2 1 398.620 3.864 20 0 GHADMP CC(C)[NH+]1CCc2nc(CN3CC[N@@H+](Cc4ccccc4)C[C@H](C)C3)sc2C1 ZINC000449558920 875045058 /nfs/dbraw/zinc/04/50/58/875045058.db2.gz YRIHOXGRSXHCKS-IBGZPJMESA-N 2 1 398.620 3.864 20 0 GHADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000542152653 875046652 /nfs/dbraw/zinc/04/66/52/875046652.db2.gz JOYWWNZZVUHENX-HNAYVOBHSA-N 2 1 381.358 3.509 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000428531326 882898141 /nfs/dbraw/zinc/89/81/41/882898141.db2.gz ATYRELRANCWWNX-NQHRYMMQSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000428531326 882898160 /nfs/dbraw/zinc/89/81/60/882898160.db2.gz ATYRELRANCWWNX-NQHRYMMQSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000428531326 882898172 /nfs/dbraw/zinc/89/81/72/882898172.db2.gz ATYRELRANCWWNX-NQHRYMMQSA-N 2 1 393.575 3.703 20 0 GHADMP CN(C(=O)CC1(c2ccccc2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000528896887 875237642 /nfs/dbraw/zinc/23/76/42/875237642.db2.gz SGDXJZWVIKVLRO-GOTSBHOMSA-N 2 1 397.607 3.904 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@H](c4ccc(Cl)cc4)C3)cn2)CC1 ZINC000449729904 875294950 /nfs/dbraw/zinc/29/49/50/875294950.db2.gz CGNPMWPEJMWTOW-PZJWPPBQSA-N 2 1 399.970 3.698 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCCCCC1 ZINC000771465981 875298127 /nfs/dbraw/zinc/29/81/27/875298127.db2.gz XLAZASREBQBALP-UHFFFAOYSA-N 2 1 386.584 3.849 20 0 GHADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001200900884 875408232 /nfs/dbraw/zinc/40/82/32/875408232.db2.gz DKKAZZIWZYODMW-UHFFFAOYSA-N 2 1 386.923 3.521 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001201409615 875689999 /nfs/dbraw/zinc/68/99/99/875689999.db2.gz BVIOLGSMSVUUMR-IRLDBZIGSA-N 2 1 376.585 3.572 20 0 GHADMP CC[C@@H](C)C[NH+]1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001201502088 875722346 /nfs/dbraw/zinc/72/23/46/875722346.db2.gz GHAFCPPJBIBUTL-RTWAWAEBSA-N 2 1 397.607 3.718 20 0 GHADMP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000134647069 882969450 /nfs/dbraw/zinc/96/94/50/882969450.db2.gz NPLSFABKQMGKLD-UHFFFAOYSA-N 2 1 397.485 3.518 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC001201927907 875922626 /nfs/dbraw/zinc/92/26/26/875922626.db2.gz SLIUJTIMBUFLLZ-IBGZPJMESA-N 2 1 388.556 3.546 20 0 GHADMP C[C@@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001201947045 875949253 /nfs/dbraw/zinc/94/92/53/875949253.db2.gz QNRGFOXIPVLBLK-KGLIPLIRSA-N 2 1 382.451 3.759 20 0 GHADMP C[C@@H]([NH2+]Cc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001201947045 875949261 /nfs/dbraw/zinc/94/92/61/875949261.db2.gz QNRGFOXIPVLBLK-KGLIPLIRSA-N 2 1 382.451 3.759 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001201954589 875952194 /nfs/dbraw/zinc/95/21/94/875952194.db2.gz RKCHDTMVQQRLFV-LJQANCHMSA-N 2 1 382.401 3.701 20 0 GHADMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000475744037 882980992 /nfs/dbraw/zinc/98/09/92/882980992.db2.gz ACTGBUUXYLMMND-KZNAEPCWSA-N 2 1 375.582 3.540 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](CCCC(F)(F)F)CC1 ZINC001202405637 876178102 /nfs/dbraw/zinc/17/81/02/876178102.db2.gz UMKRHLTYPHDEJY-UHFFFAOYSA-N 2 1 397.485 3.579 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529559779 876310551 /nfs/dbraw/zinc/31/05/51/876310551.db2.gz ZDEPUAIQWFIOAO-UHFFFAOYSA-N 2 1 383.359 3.818 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529559779 876310563 /nfs/dbraw/zinc/31/05/63/876310563.db2.gz ZDEPUAIQWFIOAO-UHFFFAOYSA-N 2 1 383.359 3.818 20 0 GHADMP C[C@H](c1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394542 876350523 /nfs/dbraw/zinc/35/05/23/876350523.db2.gz RTGYRJVDSBUZGM-XLIONFOSSA-N 2 1 383.502 3.954 20 0 GHADMP C[C@H](c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394542 876350526 /nfs/dbraw/zinc/35/05/26/876350526.db2.gz RTGYRJVDSBUZGM-XLIONFOSSA-N 2 1 383.502 3.954 20 0 GHADMP C[C@H](c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394542 876350532 /nfs/dbraw/zinc/35/05/32/876350532.db2.gz RTGYRJVDSBUZGM-XLIONFOSSA-N 2 1 383.502 3.954 20 0 GHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450422772 876406188 /nfs/dbraw/zinc/40/61/88/876406188.db2.gz WBJXWUFHZPTISB-SFHVURJKSA-N 2 1 382.552 3.627 20 0 GHADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[N@H+](C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450422772 876406193 /nfs/dbraw/zinc/40/61/93/876406193.db2.gz WBJXWUFHZPTISB-SFHVURJKSA-N 2 1 382.552 3.627 20 0 GHADMP CC(C)(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000108420559 876467293 /nfs/dbraw/zinc/46/72/93/876467293.db2.gz YVDODPBQWURYKU-JOCHJYFZSA-N 2 1 393.575 3.971 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cccc2C1 ZINC000850029106 876615291 /nfs/dbraw/zinc/61/52/91/876615291.db2.gz GEJAVRYSAHHMAM-QGZVFWFLSA-N 2 1 385.552 3.554 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2C1 ZINC000850029415 876615504 /nfs/dbraw/zinc/61/55/04/876615504.db2.gz IIOWCEHASWPRDT-GOSISDBHSA-N 2 1 385.552 3.554 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000173899801 876708167 /nfs/dbraw/zinc/70/81/67/876708167.db2.gz JEMSGLNUGINORF-IBGZPJMESA-N 2 1 398.551 3.585 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000173899801 876708175 /nfs/dbraw/zinc/70/81/75/876708175.db2.gz JEMSGLNUGINORF-IBGZPJMESA-N 2 1 398.551 3.585 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000173899801 876708182 /nfs/dbraw/zinc/70/81/82/876708182.db2.gz JEMSGLNUGINORF-IBGZPJMESA-N 2 1 398.551 3.585 20 0 GHADMP C[C@H]1CCCC[NH+]1CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000173899801 876708187 /nfs/dbraw/zinc/70/81/87/876708187.db2.gz JEMSGLNUGINORF-IBGZPJMESA-N 2 1 398.551 3.585 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000174289119 876945166 /nfs/dbraw/zinc/94/51/66/876945166.db2.gz ZSOLVCAXQZPJTF-QUCCMNQESA-N 2 1 394.629 3.939 20 0 GHADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(N4CCCNC4=O)cc3)CC2)C1 ZINC000850577148 877047823 /nfs/dbraw/zinc/04/78/23/877047823.db2.gz TXIHXSSOYWXTFJ-PGRDOPGGSA-N 2 1 384.568 3.739 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cc(F)cc(Cl)c1 ZINC000787035900 877112770 /nfs/dbraw/zinc/11/27/70/877112770.db2.gz OPHKSEHOACAQKC-OAQYLSRUSA-N 2 1 394.893 3.948 20 0 GHADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000174680503 877167683 /nfs/dbraw/zinc/16/76/83/877167683.db2.gz GBUKGWSOXQSDSC-DENIHFKCSA-N 2 1 386.584 3.543 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000451022959 877203893 /nfs/dbraw/zinc/20/38/93/877203893.db2.gz SYDSHUCYMKTCOZ-HXUWFJFHSA-N 2 1 389.975 3.769 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCc1ccccc1 ZINC000615314826 877629977 /nfs/dbraw/zinc/62/99/77/877629977.db2.gz GWAUTDIBBAXNJA-UXHICEINSA-N 2 1 379.548 3.856 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCc1ccccc1 ZINC000615314825 877630182 /nfs/dbraw/zinc/63/01/82/877630182.db2.gz GWAUTDIBBAXNJA-PMACEKPBSA-N 2 1 379.548 3.856 20 0 GHADMP c1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000551722882 877715986 /nfs/dbraw/zinc/71/59/86/877715986.db2.gz RSCWFVUBULRQKG-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000551722882 877716004 /nfs/dbraw/zinc/71/60/04/877716004.db2.gz RSCWFVUBULRQKG-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000551722882 877716022 /nfs/dbraw/zinc/71/60/22/877716022.db2.gz RSCWFVUBULRQKG-KIHHCIJBSA-N 2 1 384.564 3.973 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1cccs1 ZINC000175517579 877747979 /nfs/dbraw/zinc/74/79/79/877747979.db2.gz DXJBQKJOMBOXFJ-FXAWDEMLSA-N 2 1 392.613 3.743 20 0 GHADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)o1 ZINC000245387802 877776870 /nfs/dbraw/zinc/77/68/70/877776870.db2.gz AJKCFNMSRPTWOV-QUCCMNQESA-N 2 1 390.572 3.679 20 0 GHADMP O=C(C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000084868375 877874905 /nfs/dbraw/zinc/87/49/05/877874905.db2.gz ZGWCVJCKKZSGRT-NEQMZLFVSA-N 2 1 381.564 3.687 20 0 GHADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245443748 877890142 /nfs/dbraw/zinc/89/01/42/877890142.db2.gz JBZKAHYPLJSJLP-SIKLNZKXSA-N 2 1 397.538 3.627 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000175766331 877892380 /nfs/dbraw/zinc/89/23/80/877892380.db2.gz VJFLBZOEBMULJS-QFIPXVFZSA-N 2 1 397.567 3.744 20 0 GHADMP CC(C)[NH2+]C1CC[NH+](Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000851838588 877935819 /nfs/dbraw/zinc/93/58/19/877935819.db2.gz KTWCCXZGFBHNOG-UHFFFAOYSA-N 2 1 387.568 3.942 20 0 GHADMP O=C(N1CCC[C@@H]([C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)C1)C(F)(F)F ZINC000852472749 878349510 /nfs/dbraw/zinc/34/95/10/878349510.db2.gz CMSPLXLYVLMYJE-QZTJIDSGSA-N 2 1 389.506 3.518 20 0 GHADMP O=C(NCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000245687182 878375633 /nfs/dbraw/zinc/37/56/33/878375633.db2.gz JSZOUKYNCHCPQK-WBDAEOGXSA-N 2 1 395.522 3.731 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CCO1 ZINC000852760482 878584025 /nfs/dbraw/zinc/58/40/25/878584025.db2.gz GOIYJGAHMAHFCJ-LJQANCHMSA-N 2 1 377.529 3.576 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CCO1 ZINC000852760482 878584042 /nfs/dbraw/zinc/58/40/42/878584042.db2.gz GOIYJGAHMAHFCJ-LJQANCHMSA-N 2 1 377.529 3.576 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530839586 878586041 /nfs/dbraw/zinc/58/60/41/878586041.db2.gz PLBCBJSKYSXKDP-FXAWDEMLSA-N 2 1 394.991 3.897 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000152468620 878640234 /nfs/dbraw/zinc/64/02/34/878640234.db2.gz UFGCFDGJLRZVCG-PXNSSMCTSA-N 2 1 393.597 3.978 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000152468620 878640245 /nfs/dbraw/zinc/64/02/45/878640245.db2.gz UFGCFDGJLRZVCG-PXNSSMCTSA-N 2 1 393.597 3.978 20 0 GHADMP CC1(C)C[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000852976384 878703804 /nfs/dbraw/zinc/70/38/04/878703804.db2.gz VDGHXDKPUNFLSR-NHCUHLMSSA-N 2 1 382.548 3.705 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)C[C@H](C)O1 ZINC000530940115 878776911 /nfs/dbraw/zinc/77/69/11/878776911.db2.gz STIFHSYGFILVDO-CALCHBBNSA-N 2 1 382.495 3.999 20 0 GHADMP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000853092876 878809997 /nfs/dbraw/zinc/80/99/97/878809997.db2.gz RKMSPBHRTDJACF-OAHLLOKOSA-N 2 1 380.558 3.702 20 0 GHADMP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000853092876 878810008 /nfs/dbraw/zinc/81/00/08/878810008.db2.gz RKMSPBHRTDJACF-OAHLLOKOSA-N 2 1 380.558 3.702 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127596059 878810905 /nfs/dbraw/zinc/81/09/05/878810905.db2.gz CZJVKRDCQVIJJN-RBDMOPTHSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127596059 878810919 /nfs/dbraw/zinc/81/09/19/878810919.db2.gz CZJVKRDCQVIJJN-RBDMOPTHSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001127596065 878811051 /nfs/dbraw/zinc/81/10/51/878811051.db2.gz CZJVKRDCQVIJJN-XJABCFGWSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127596065 878811061 /nfs/dbraw/zinc/81/10/61/878811061.db2.gz CZJVKRDCQVIJJN-XJABCFGWSA-N 2 1 399.966 3.970 20 0 GHADMP O=C(c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1)N1CCCC1 ZINC000789351903 878840351 /nfs/dbraw/zinc/84/03/51/878840351.db2.gz ACXIDYWAFCHOHG-UHFFFAOYSA-N 2 1 392.547 3.835 20 0 GHADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(Cl)c(F)c1 ZINC000789357841 878846215 /nfs/dbraw/zinc/84/62/15/878846215.db2.gz PJMHXOUMXOYECE-LJQANCHMSA-N 2 1 377.891 3.925 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000177790645 878858706 /nfs/dbraw/zinc/85/87/06/878858706.db2.gz CNELONWCHGDGDJ-QHCPKHFHSA-N 2 1 395.522 3.571 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000177790645 878858717 /nfs/dbraw/zinc/85/87/17/878858717.db2.gz CNELONWCHGDGDJ-QHCPKHFHSA-N 2 1 395.522 3.571 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669992288 878860924 /nfs/dbraw/zinc/86/09/24/878860924.db2.gz MUZGUEDWALYJMQ-QFIPXVFZSA-N 2 1 389.547 3.886 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669992288 878860931 /nfs/dbraw/zinc/86/09/31/878860931.db2.gz MUZGUEDWALYJMQ-QFIPXVFZSA-N 2 1 389.547 3.886 20 0 GHADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C1 ZINC000177849245 878887146 /nfs/dbraw/zinc/88/71/46/878887146.db2.gz ZWGNYYBEHQMVAX-VQTJNVASSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000177849245 878887151 /nfs/dbraw/zinc/88/71/51/878887151.db2.gz ZWGNYYBEHQMVAX-VQTJNVASSA-N 2 1 386.584 3.544 20 0 GHADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000177849245 878887156 /nfs/dbraw/zinc/88/71/56/878887156.db2.gz ZWGNYYBEHQMVAX-VQTJNVASSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000246129939 879029958 /nfs/dbraw/zinc/02/99/58/879029958.db2.gz RHVNSOQIRXZNBK-IBGZPJMESA-N 2 1 380.374 3.517 20 0 GHADMP C[C@H](C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000538231870 879086502 /nfs/dbraw/zinc/08/65/02/879086502.db2.gz XZBQLOROIZMTJT-GOSISDBHSA-N 2 1 377.532 3.709 20 0 GHADMP C[C@H](C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1)[N@H+]1CCc2ccccc2C1 ZINC000538231870 879086519 /nfs/dbraw/zinc/08/65/19/879086519.db2.gz XZBQLOROIZMTJT-GOSISDBHSA-N 2 1 377.532 3.709 20 0 GHADMP C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+]1CCc2ccccc2C1 ZINC000538231870 879086533 /nfs/dbraw/zinc/08/65/33/879086533.db2.gz XZBQLOROIZMTJT-GOSISDBHSA-N 2 1 377.532 3.709 20 0 GHADMP C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1CCc2ccccc2C1 ZINC000538231870 879086547 /nfs/dbraw/zinc/08/65/47/879086547.db2.gz XZBQLOROIZMTJT-GOSISDBHSA-N 2 1 377.532 3.709 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nccc4ccc(C)cc43)CC2)CC1 ZINC000616817522 879126124 /nfs/dbraw/zinc/12/61/24/879126124.db2.gz HYJLORGIKATJPX-UHFFFAOYSA-N 2 1 380.536 3.678 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000776693660 879320921 /nfs/dbraw/zinc/32/09/21/879320921.db2.gz KUBGMBZRYKNMFX-DENIHFKCSA-N 2 1 387.568 3.744 20 0 GHADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000776693660 879320943 /nfs/dbraw/zinc/32/09/43/879320943.db2.gz KUBGMBZRYKNMFX-DENIHFKCSA-N 2 1 387.568 3.744 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000246360105 879459071 /nfs/dbraw/zinc/45/90/71/879459071.db2.gz PSVRZOIEDHNDPW-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246360105 879459079 /nfs/dbraw/zinc/45/90/79/879459079.db2.gz PSVRZOIEDHNDPW-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000246360105 879459087 /nfs/dbraw/zinc/45/90/87/879459087.db2.gz PSVRZOIEDHNDPW-DXIQSLLYSA-N 2 1 386.584 3.543 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000122856203 879577310 /nfs/dbraw/zinc/57/73/10/879577310.db2.gz ZTIVDGXAEFDCEF-GFQSRZNMSA-N 2 1 381.524 3.556 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000122856203 879577334 /nfs/dbraw/zinc/57/73/34/879577334.db2.gz ZTIVDGXAEFDCEF-GFQSRZNMSA-N 2 1 381.524 3.556 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000246584695 879702182 /nfs/dbraw/zinc/70/21/82/879702182.db2.gz NTHBXAREDQFXJA-OXJNMPFZSA-N 2 1 385.939 3.888 20 0 GHADMP C[C@H]1[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000494068281 879890658 /nfs/dbraw/zinc/89/06/58/879890658.db2.gz GEQSHQDBQDQTCF-GBXCKJPGSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(F)cc1N(C)C ZINC000247059644 879904434 /nfs/dbraw/zinc/90/44/34/879904434.db2.gz NSIBNXQGCNEAKG-ZWKOTPCHSA-N 2 1 385.527 3.963 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000247107315 879919242 /nfs/dbraw/zinc/91/92/42/879919242.db2.gz QIGGFFKMNFPQSM-AVRDEDQJSA-N 2 1 396.531 3.919 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCCO2 ZINC000247107315 879919254 /nfs/dbraw/zinc/91/92/54/879919254.db2.gz QIGGFFKMNFPQSM-AVRDEDQJSA-N 2 1 396.531 3.919 20 0 GHADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000247175333 879936321 /nfs/dbraw/zinc/93/63/21/879936321.db2.gz UWECSTMEHCTTOO-SJORKVTESA-N 2 1 377.960 3.655 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000247175333 879936332 /nfs/dbraw/zinc/93/63/32/879936332.db2.gz UWECSTMEHCTTOO-SJORKVTESA-N 2 1 377.960 3.655 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000247414457 879994174 /nfs/dbraw/zinc/99/41/74/879994174.db2.gz NMCKITQUHIGULF-WMZHIEFXSA-N 2 1 379.548 3.731 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000247414457 879994181 /nfs/dbraw/zinc/99/41/81/879994181.db2.gz NMCKITQUHIGULF-WMZHIEFXSA-N 2 1 379.548 3.731 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000247414457 879994194 /nfs/dbraw/zinc/99/41/94/879994194.db2.gz NMCKITQUHIGULF-WMZHIEFXSA-N 2 1 379.548 3.731 20 0 GHADMP Cc1nc2ccc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)cc2s1 ZINC000494194710 880008407 /nfs/dbraw/zinc/00/84/07/880008407.db2.gz JKWBAEZAPBGFNX-FQEVSTJZSA-N 2 1 381.545 3.851 20 0 GHADMP C[C@H](c1cn(-c2ccccc2)nn1)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000247673991 880044794 /nfs/dbraw/zinc/04/47/94/880044794.db2.gz YXHUGSHNTRFORI-HSALFYBXSA-N 2 1 397.567 3.540 20 0 GHADMP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000247673991 880044811 /nfs/dbraw/zinc/04/48/11/880044811.db2.gz YXHUGSHNTRFORI-HSALFYBXSA-N 2 1 397.567 3.540 20 0 GHADMP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000247673991 880044831 /nfs/dbraw/zinc/04/48/31/880044831.db2.gz YXHUGSHNTRFORI-HSALFYBXSA-N 2 1 397.567 3.540 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4ccccc4C(C)(C)C3)CC2)CC1 ZINC000617517620 880048143 /nfs/dbraw/zinc/04/81/43/880048143.db2.gz RMYPOJHXEGHZJH-UHFFFAOYSA-N 2 1 397.607 3.545 20 0 GHADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000123348242 880290078 /nfs/dbraw/zinc/29/00/78/880290078.db2.gz NKXBIRNAXPTGQA-QGZVFWFLSA-N 2 1 383.540 3.758 20 0 GHADMP CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1)[NH+]1CCCC1 ZINC000531684893 880317717 /nfs/dbraw/zinc/31/77/17/880317717.db2.gz FJBYPTYENXBIQR-WMLDXEAASA-N 2 1 382.346 3.630 20 0 GHADMP COc1ccc(C)cc1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184752691 880373815 /nfs/dbraw/zinc/37/38/15/880373815.db2.gz BKWAXKQRSHJCQK-OALUTQOASA-N 2 1 395.547 3.688 20 0 GHADMP CN(C)C(=O)c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453066983 880386834 /nfs/dbraw/zinc/38/68/34/880386834.db2.gz IWPJSIQWZREJMQ-RBZQAINGSA-N 2 1 391.559 3.921 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453066983 880386845 /nfs/dbraw/zinc/38/68/45/880386845.db2.gz IWPJSIQWZREJMQ-RBZQAINGSA-N 2 1 391.559 3.921 20 0 GHADMP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453066983 880386861 /nfs/dbraw/zinc/38/68/61/880386861.db2.gz IWPJSIQWZREJMQ-RBZQAINGSA-N 2 1 391.559 3.921 20 0 GHADMP CNC(=O)c1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453077151 880428526 /nfs/dbraw/zinc/42/85/26/880428526.db2.gz WHXASPCAHSHNAU-ZLNRFVROSA-N 2 1 377.532 3.579 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453077151 880428532 /nfs/dbraw/zinc/42/85/32/880428532.db2.gz WHXASPCAHSHNAU-ZLNRFVROSA-N 2 1 377.532 3.579 20 0 GHADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453077151 880428535 /nfs/dbraw/zinc/42/85/35/880428535.db2.gz WHXASPCAHSHNAU-ZLNRFVROSA-N 2 1 377.532 3.579 20 0 GHADMP c1cnn(-c2ncccc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453083206 880439835 /nfs/dbraw/zinc/43/98/35/880439835.db2.gz MYXUYDPNUUGZPH-VABKMULXSA-N 2 1 387.531 3.800 20 0 GHADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000453096976 880462744 /nfs/dbraw/zinc/46/27/44/880462744.db2.gz VYPXQUKAKQXCNY-YTFSRNRJSA-N 2 1 377.532 3.579 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ncc(-c3ccccc3)n2C)[C@H](C)C1 ZINC000453109281 880477197 /nfs/dbraw/zinc/47/71/97/880477197.db2.gz AGMYBKURYJCBKS-SBHAEUEKSA-N 2 1 384.568 3.875 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)[C@H](C)C1 ZINC000453131557 880524044 /nfs/dbraw/zinc/52/40/44/880524044.db2.gz VLJCJDPLLMLRAO-SBHAEUEKSA-N 2 1 384.568 3.875 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)[C@H](C)C1 ZINC000453131557 880524047 /nfs/dbraw/zinc/52/40/47/880524047.db2.gz VLJCJDPLLMLRAO-SBHAEUEKSA-N 2 1 384.568 3.875 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)[C@H](C)C1 ZINC000453131554 880524467 /nfs/dbraw/zinc/52/44/67/880524467.db2.gz VLJCJDPLLMLRAO-DYXWJJEUSA-N 2 1 384.568 3.875 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)[C@H](C)C1 ZINC000453131554 880524472 /nfs/dbraw/zinc/52/44/72/880524472.db2.gz VLJCJDPLLMLRAO-DYXWJJEUSA-N 2 1 384.568 3.875 20 0 GHADMP CC1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000185569571 880619197 /nfs/dbraw/zinc/61/91/97/880619197.db2.gz NPKTUPFYYHJDTG-UHFFFAOYSA-N 2 1 383.580 3.766 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC12CCOCC2 ZINC000453218265 880635134 /nfs/dbraw/zinc/63/51/34/880635134.db2.gz PMJLJNQUIOWDBT-UDIRQSBCSA-N 2 1 398.591 3.587 20 0 GHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH+](C)CC1 ZINC000453263539 880697372 /nfs/dbraw/zinc/69/73/72/880697372.db2.gz YZDZJUWLGNUJAG-YPAWHYETSA-N 3 1 387.637 3.847 20 0 GHADMP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH+](C)CC1 ZINC000453263539 880697374 /nfs/dbraw/zinc/69/73/74/880697374.db2.gz YZDZJUWLGNUJAG-YPAWHYETSA-N 2 1 387.637 3.847 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)o1 ZINC000531945746 880764376 /nfs/dbraw/zinc/76/43/76/880764376.db2.gz RKCWXHKCAWKPMP-VJBMBRPKSA-N 2 1 397.563 3.604 20 0 GHADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)N2CCOCC2)o1 ZINC000531945746 880764378 /nfs/dbraw/zinc/76/43/78/880764378.db2.gz RKCWXHKCAWKPMP-VJBMBRPKSA-N 2 1 397.563 3.604 20 0 GHADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000453342136 880814909 /nfs/dbraw/zinc/81/49/09/880814909.db2.gz CRNCYGBJZQCPGN-QPTUXGOLSA-N 2 1 386.580 3.803 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4Cl)c2)C1 ZINC000531975750 880853191 /nfs/dbraw/zinc/85/31/91/880853191.db2.gz ZBTDYBQNBPPMQS-GCJKJVERSA-N 2 1 397.950 3.814 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000453398905 880866920 /nfs/dbraw/zinc/86/69/20/880866920.db2.gz NIRMXRNUKPKWAL-XLCOUGHXSA-N 2 1 382.552 3.673 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CCSCC1 ZINC000187152514 881084334 /nfs/dbraw/zinc/08/43/34/881084334.db2.gz VRVCAXUKZIBJHN-GOSISDBHSA-N 2 1 392.609 3.798 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](Cc3ccccc3)C(C)C)cc2)CC1 ZINC000010931214 881156451 /nfs/dbraw/zinc/15/64/51/881156451.db2.gz YRRHRMHHJRFLRO-UHFFFAOYSA-N 2 1 394.563 3.678 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000193296211 883211691 /nfs/dbraw/zinc/21/16/91/883211691.db2.gz AOCPTYFFLSSVAX-FQEVSTJZSA-N 2 1 386.584 3.736 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000565421863 883260978 /nfs/dbraw/zinc/26/09/78/883260978.db2.gz JVWWOGYZWSPBHT-WMQCIHAUSA-N 2 1 382.552 3.873 20 0 GHADMP Clc1ccc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1 ZINC001211910557 883340980 /nfs/dbraw/zinc/34/09/80/883340980.db2.gz GCRAMBXYHLXZKL-SFHVURJKSA-N 2 1 380.879 3.579 20 0 GHADMP Clc1ccc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)cc1 ZINC001211910557 883340997 /nfs/dbraw/zinc/34/09/97/883340997.db2.gz GCRAMBXYHLXZKL-SFHVURJKSA-N 2 1 380.879 3.579 20 0 GHADMP C[NH+](C)CCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000670093697 883494447 /nfs/dbraw/zinc/49/44/47/883494447.db2.gz PCZRVGVOLPQTAK-ZNBHLAFESA-N 2 1 392.975 3.505 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000537698158 883508395 /nfs/dbraw/zinc/50/83/95/883508395.db2.gz RPRXJHYKUADXDU-WNYOCNMUSA-N 2 1 376.447 3.908 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2c(F)cccc2F)o1 ZINC000537698158 883508407 /nfs/dbraw/zinc/50/84/07/883508407.db2.gz RPRXJHYKUADXDU-WNYOCNMUSA-N 2 1 376.447 3.908 20 0 GHADMP C[Si](C)(CC[NH+]1CCC[C@@H]1c1cc[nH]n1)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000859282456 883716372 /nfs/dbraw/zinc/71/63/72/883716372.db2.gz IADJCWBJHQKIID-WOJBJXKFSA-N 2 1 386.620 3.815 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000187264031 883773857 /nfs/dbraw/zinc/77/38/57/883773857.db2.gz XMIQXUBFQDYFAN-PGRDOPGGSA-N 2 1 383.561 3.830 20 0 GHADMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)ccc21 ZINC000187264031 883773870 /nfs/dbraw/zinc/77/38/70/883773870.db2.gz XMIQXUBFQDYFAN-PGRDOPGGSA-N 2 1 383.561 3.830 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000508880082 884083707 /nfs/dbraw/zinc/08/37/07/884083707.db2.gz KSTVIASZCKMNHG-UGKGYDQZSA-N 2 1 388.600 3.831 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(F)cn1 ZINC000556232218 884178080 /nfs/dbraw/zinc/17/80/80/884178080.db2.gz IIAKXEFQBHEOCO-AZUAARDMSA-N 2 1 383.511 3.800 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(F)cn1 ZINC000556232218 884178085 /nfs/dbraw/zinc/17/80/85/884178085.db2.gz IIAKXEFQBHEOCO-AZUAARDMSA-N 2 1 383.511 3.800 20 0 GHADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1(C)C ZINC000556233125 884178971 /nfs/dbraw/zinc/17/89/71/884178971.db2.gz MRZUESYAXJMUGK-ZHHKINOHSA-N 2 1 386.580 3.564 20 0 GHADMP Cc1ccc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000494986720 884319221 /nfs/dbraw/zinc/31/92/21/884319221.db2.gz GCXWLERCJIJEMS-QHCPKHFHSA-N 2 1 398.572 3.648 20 0 GHADMP CC[C@@H]1CCCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476291115 884384489 /nfs/dbraw/zinc/38/44/89/884384489.db2.gz VOMOXZBOSLVWER-IFMALSPDSA-N 2 1 377.617 3.858 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(CC)ccc23)[C@H](C)C1 ZINC000249419262 912824056 /nfs/dbraw/zinc/82/40/56/912824056.db2.gz HGMWAFFJJMMHGX-DYESRHJHSA-N 2 1 386.536 3.582 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(CC)ccc23)[C@H](C)C1 ZINC000249419262 912824074 /nfs/dbraw/zinc/82/40/74/912824074.db2.gz HGMWAFFJJMMHGX-DYESRHJHSA-N 2 1 386.536 3.582 20 0 GHADMP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000495109441 884560781 /nfs/dbraw/zinc/56/07/81/884560781.db2.gz PKYZANNAONYJJI-CNNODRBYSA-N 2 1 396.531 3.627 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(-c2cccc(C)c2)c1 ZINC000495234766 884863775 /nfs/dbraw/zinc/86/37/75/884863775.db2.gz WLZXXARTWWNPEV-HSZRJFAPSA-N 2 1 394.563 3.545 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000460346398 884924692 /nfs/dbraw/zinc/92/46/92/884924692.db2.gz GOZXHMWNZODRTE-CYGODWOOSA-N 2 1 399.966 3.702 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000460346398 884924718 /nfs/dbraw/zinc/92/47/18/884924718.db2.gz GOZXHMWNZODRTE-CYGODWOOSA-N 2 1 399.966 3.702 20 0 GHADMP Cc1cc(C)cc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000460365436 885010539 /nfs/dbraw/zinc/01/05/39/885010539.db2.gz VINPYKBCRHQRPF-WOJBJXKFSA-N 2 1 379.548 3.988 20 0 GHADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107367778 885304710 /nfs/dbraw/zinc/30/47/10/885304710.db2.gz RXWPGHJBKISVQU-QZTJIDSGSA-N 2 1 399.501 3.575 20 0 GHADMP Cc1ccsc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000130904854 885324031 /nfs/dbraw/zinc/32/40/31/885324031.db2.gz REIDCYOGCSRZNL-UHFFFAOYSA-N 2 1 385.577 3.517 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000072015547 885430428 /nfs/dbraw/zinc/43/04/28/885430428.db2.gz CFWWRLKMIMRFGF-RTWAWAEBSA-N 2 1 385.577 3.912 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498721410 885482098 /nfs/dbraw/zinc/48/20/98/885482098.db2.gz LFJHWXFIJSTIED-RBBKRZOGSA-N 2 1 398.595 3.557 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000861511223 885596155 /nfs/dbraw/zinc/59/61/55/885596155.db2.gz XRPAPMCARLBOHH-DHIUTWEWSA-N 2 1 397.607 3.869 20 0 GHADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495434255 885759363 /nfs/dbraw/zinc/75/93/63/885759363.db2.gz REPCATNYKHTWEN-KCZVDYSFSA-N 2 1 379.548 3.928 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000532480073 885792214 /nfs/dbraw/zinc/79/22/14/885792214.db2.gz HBEGJNUDLNLPJK-CVEARBPZSA-N 2 1 381.948 3.776 20 0 GHADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000108706251 885827295 /nfs/dbraw/zinc/82/72/95/885827295.db2.gz NBFUQXFKODWLRC-ZEQRLZLVSA-N 2 1 391.559 3.852 20 0 GHADMP C[NH+](C)CCCCC(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001184060529 912989985 /nfs/dbraw/zinc/98/99/85/912989985.db2.gz BNLBTHKOIVCCHU-UHFFFAOYSA-N 2 1 392.547 3.666 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCCc1cccs1 ZINC000495509905 885975942 /nfs/dbraw/zinc/97/59/42/885975942.db2.gz AAMABTFXMVCECB-MOPGFXCFSA-N 2 1 399.604 3.960 20 0 GHADMP C[C@@H](c1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000118029324 886150046 /nfs/dbraw/zinc/15/00/46/886150046.db2.gz LBESWNBGYOENKP-FXAWDEMLSA-N 2 1 390.572 3.568 20 0 GHADMP C[C@H](c1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000118029326 886152364 /nfs/dbraw/zinc/15/23/64/886152364.db2.gz LBESWNBGYOENKP-YLJYHZDGSA-N 2 1 390.572 3.568 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001170550804 886295194 /nfs/dbraw/zinc/29/51/94/886295194.db2.gz HINZGJQTFOJRJE-QQBOBMDFSA-N 2 1 376.566 3.622 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001170550804 886295215 /nfs/dbraw/zinc/29/52/15/886295215.db2.gz HINZGJQTFOJRJE-QQBOBMDFSA-N 2 1 376.566 3.622 20 0 GHADMP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)C1 ZINC001170550804 886295236 /nfs/dbraw/zinc/29/52/36/886295236.db2.gz HINZGJQTFOJRJE-QQBOBMDFSA-N 2 1 376.566 3.622 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CCC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)CC1 ZINC001168321092 886334018 /nfs/dbraw/zinc/33/40/18/886334018.db2.gz DIJCSKDAVHRAHE-BBHUYCHWSA-N 2 1 387.543 3.513 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001131308635 886368934 /nfs/dbraw/zinc/36/89/34/886368934.db2.gz OIOHBYRYWYUQRT-OAQYLSRUSA-N 2 1 387.568 3.544 20 0 GHADMP CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](C1CCC([NH+](C)C)CC1)C2 ZINC001168322629 886468042 /nfs/dbraw/zinc/46/80/42/886468042.db2.gz UFISAAZFFURBIE-UHFFFAOYSA-N 2 1 382.552 3.538 20 0 GHADMP Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000429549851 886481943 /nfs/dbraw/zinc/48/19/43/886481943.db2.gz VFYFHCIYMSKZOL-SONWIMMPSA-N 2 1 396.575 3.878 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000057176769 886549736 /nfs/dbraw/zinc/54/97/36/886549736.db2.gz VOKRMGLEQOUNHT-HSZRJFAPSA-N 2 1 395.522 3.571 20 0 GHADMP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1 ZINC000499075603 886645612 /nfs/dbraw/zinc/64/56/12/886645612.db2.gz NOOWLCROHZONNI-UHFFFAOYSA-N 2 1 383.561 3.696 20 0 GHADMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1 ZINC000499075603 886645623 /nfs/dbraw/zinc/64/56/23/886645623.db2.gz NOOWLCROHZONNI-UHFFFAOYSA-N 2 1 383.561 3.696 20 0 GHADMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168252218 886750427 /nfs/dbraw/zinc/75/04/27/886750427.db2.gz OHXSEBKJWICJOR-FKBYEOEOSA-N 2 1 380.532 3.943 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762737751 886773707 /nfs/dbraw/zinc/77/37/07/886773707.db2.gz KMFSFKLXAABXRT-UTKZUKDTSA-N 2 1 395.950 3.854 20 0 GHADMP Cc1cc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc(C)[nH+]1 ZINC001170593967 888054334 /nfs/dbraw/zinc/05/43/34/888054334.db2.gz HHANMLVEAUFIDH-JOCHJYFZSA-N 2 1 376.504 3.569 20 0 GHADMP Cc1nccn1-c1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cn1 ZINC000794795907 888062088 /nfs/dbraw/zinc/06/20/88/888062088.db2.gz JOIXSNLPJBMINO-NRFANRHFSA-N 2 1 384.487 3.929 20 0 GHADMP Cc1nccn1-c1ccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cn1 ZINC000794795915 888062607 /nfs/dbraw/zinc/06/26/07/888062607.db2.gz JOIXSNLPJBMINO-OAQYLSRUSA-N 2 1 384.487 3.929 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000194173540 888087434 /nfs/dbraw/zinc/08/74/34/888087434.db2.gz LISLQPLPFIFHKR-UHFFFAOYSA-N 2 1 394.563 3.765 20 0 GHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000810259199 888322844 /nfs/dbraw/zinc/32/28/44/888322844.db2.gz FBEMTHSXBHORAB-WTGUMLROSA-N 2 1 397.604 3.501 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000810259199 888322853 /nfs/dbraw/zinc/32/28/53/888322853.db2.gz FBEMTHSXBHORAB-WTGUMLROSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)cc1F ZINC000865430888 888346145 /nfs/dbraw/zinc/34/61/45/888346145.db2.gz UEIGOQOUERQDAX-UHFFFAOYSA-N 2 1 392.478 3.846 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)c2cccs2)CC1 ZINC000729677643 888430879 /nfs/dbraw/zinc/43/08/79/888430879.db2.gz ZZHLAWWZKMLZNR-LJQANCHMSA-N 2 1 385.577 3.540 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000729678086 888450660 /nfs/dbraw/zinc/45/06/60/888450660.db2.gz OZHRUVULBTZPII-UHFFFAOYSA-N 2 1 393.575 3.827 20 0 GHADMP CC(=O)NCC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000865632956 888489751 /nfs/dbraw/zinc/48/97/51/888489751.db2.gz UQVOBLAWHRENDJ-APKLWFBNSA-N 2 1 383.580 3.573 20 0 GHADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195133763 888649212 /nfs/dbraw/zinc/64/92/12/888649212.db2.gz BVLKSPLSWICMKX-WMZOPIPTSA-N 2 1 386.927 3.564 20 0 GHADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000528962270 888747328 /nfs/dbraw/zinc/74/73/28/888747328.db2.gz CLBDKWDVQSKITL-NRFANRHFSA-N 2 1 384.524 3.610 20 0 GHADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000528962270 888747338 /nfs/dbraw/zinc/74/73/38/888747338.db2.gz CLBDKWDVQSKITL-NRFANRHFSA-N 2 1 384.524 3.610 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000454324007 888853658 /nfs/dbraw/zinc/85/36/58/888853658.db2.gz VHCHGIVOSNBZQD-LJQANCHMSA-N 2 1 398.595 3.877 20 0 GHADMP Cc1cc(NC(=O)C2CC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000123398418 888968060 /nfs/dbraw/zinc/96/80/60/888968060.db2.gz SHNHUIJFMCQNHF-UHFFFAOYSA-N 2 1 398.551 3.792 20 0 GHADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000532827566 889026640 /nfs/dbraw/zinc/02/66/40/889026640.db2.gz GEFDRNQQPVSUJG-KRWDZBQOSA-N 2 1 379.932 3.571 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245663245 889239474 /nfs/dbraw/zinc/23/94/74/889239474.db2.gz GFEJMHZZFPTXJY-SRYPRDQNSA-N 2 1 396.531 3.522 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245702219 889297244 /nfs/dbraw/zinc/29/72/44/889297244.db2.gz MANBPXSYKXMNIT-NUNAXRQHSA-N 2 1 387.531 3.861 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245702219 889297253 /nfs/dbraw/zinc/29/72/53/889297253.db2.gz MANBPXSYKXMNIT-NUNAXRQHSA-N 2 1 387.531 3.861 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245703189 889309803 /nfs/dbraw/zinc/30/98/03/889309803.db2.gz MANBPXSYKXMNIT-WBDAEOGXSA-N 2 1 387.531 3.861 20 0 GHADMP Cc1nccn1-c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245703189 889309820 /nfs/dbraw/zinc/30/98/20/889309820.db2.gz MANBPXSYKXMNIT-WBDAEOGXSA-N 2 1 387.531 3.861 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000868183901 889340784 /nfs/dbraw/zinc/34/07/84/889340784.db2.gz VJYHIEMLCAXTAP-IRNNPGBSSA-N 2 1 378.520 3.676 20 0 GHADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)cc1 ZINC000644524161 913336591 /nfs/dbraw/zinc/33/65/91/913336591.db2.gz XFPVVCYYWKFFTA-ZFFYZDHPSA-N 2 1 394.559 3.678 20 0 GHADMP Brc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000124504994 889652973 /nfs/dbraw/zinc/65/29/73/889652973.db2.gz MOOCGMUFKHMTRO-UHFFFAOYSA-N 2 1 388.147 3.928 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccnc(Cl)c2Cl)c2cccs2)CC1 ZINC000811471915 889657821 /nfs/dbraw/zinc/65/78/21/889657821.db2.gz NBFNWNYSKAEKCD-CQSZACIVSA-N 2 1 385.364 3.528 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245773505 889690317 /nfs/dbraw/zinc/69/03/17/889690317.db2.gz XQKNITFSBPWUMN-NUNAXRQHSA-N 2 1 383.580 3.809 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795046883 889698243 /nfs/dbraw/zinc/69/82/43/889698243.db2.gz WVAUNURSFXHJHX-XPWALMASSA-N 2 1 399.579 3.888 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000125101789 889874338 /nfs/dbraw/zinc/87/43/38/889874338.db2.gz JJVUEFDTZURSDG-HXUWFJFHSA-N 2 1 394.563 3.554 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811742515 889908534 /nfs/dbraw/zinc/90/85/34/889908534.db2.gz HQSQDVUCFXHCKL-QHCPKHFHSA-N 2 1 379.548 3.619 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811742515 889908544 /nfs/dbraw/zinc/90/85/44/889908544.db2.gz HQSQDVUCFXHCKL-QHCPKHFHSA-N 2 1 379.548 3.619 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)[C@H](C)C1 ZINC000125350854 889963974 /nfs/dbraw/zinc/96/39/74/889963974.db2.gz XWFDWGHFUMNUMX-OXQOHEQNSA-N 2 1 383.502 3.990 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000533270767 890135324 /nfs/dbraw/zinc/13/53/24/890135324.db2.gz LWESHOFDHIGWLT-QGZVFWFLSA-N 2 1 375.582 3.566 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000533270767 890135331 /nfs/dbraw/zinc/13/53/31/890135331.db2.gz LWESHOFDHIGWLT-QGZVFWFLSA-N 2 1 375.582 3.566 20 0 GHADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000870989541 890597671 /nfs/dbraw/zinc/59/76/71/890597671.db2.gz KLQYAMINBCHFBO-JPYJTQIMSA-N 2 1 386.584 3.717 20 0 GHADMP COc1ccc(OC)c([C@H](O)C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000917008828 890722646 /nfs/dbraw/zinc/72/26/46/890722646.db2.gz SLSNFJWKAKGDKH-FDDCHVKYSA-N 2 1 398.547 3.901 20 0 GHADMP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)n1 ZINC000126794680 890727064 /nfs/dbraw/zinc/72/70/64/890727064.db2.gz VNQAHDRGMKNYKW-KRWDZBQOSA-N 2 1 390.622 3.984 20 0 GHADMP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CC2)n1 ZINC000126794680 890727069 /nfs/dbraw/zinc/72/70/69/890727069.db2.gz VNQAHDRGMKNYKW-KRWDZBQOSA-N 2 1 390.622 3.984 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(Br)c3OC(F)F)CC[C@H]21 ZINC000533558994 890843592 /nfs/dbraw/zinc/84/35/92/890843592.db2.gz YKQCREMLAQMOBS-IUODEOHRSA-N 2 1 389.284 3.967 20 0 GHADMP C[C@@H](ON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000871785231 891010431 /nfs/dbraw/zinc/01/04/31/891010431.db2.gz GKTSWFKOJUATJL-BPZRQAJTSA-N 2 1 389.887 3.822 20 0 GHADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000871785231 891010442 /nfs/dbraw/zinc/01/04/42/891010442.db2.gz GKTSWFKOJUATJL-BPZRQAJTSA-N 2 1 389.887 3.822 20 0 GHADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000871785231 891010456 /nfs/dbraw/zinc/01/04/56/891010456.db2.gz GKTSWFKOJUATJL-BPZRQAJTSA-N 2 1 389.887 3.822 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246335976 891034896 /nfs/dbraw/zinc/03/48/96/891034896.db2.gz OPRUOGQTDUMTOJ-SIKLNZKXSA-N 2 1 397.567 3.666 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246335976 891034911 /nfs/dbraw/zinc/03/49/11/891034911.db2.gz OPRUOGQTDUMTOJ-SIKLNZKXSA-N 2 1 397.567 3.666 20 0 GHADMP Brc1cccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2CCOC2)c1 ZINC000872025267 891122283 /nfs/dbraw/zinc/12/22/83/891122283.db2.gz JMZDZRYCLBKGNU-YSHGAJCASA-N 2 1 379.342 3.743 20 0 GHADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1)C1CCCC1 ZINC000872157782 891185455 /nfs/dbraw/zinc/18/54/55/891185455.db2.gz RAMMRQIWVFMODC-WMLDXEAASA-N 2 1 386.462 3.537 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC000246507367 891279519 /nfs/dbraw/zinc/27/95/19/891279519.db2.gz TVHSBHHSJRQEKO-FIKGOQFSSA-N 2 1 383.540 3.613 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H](C)C1 ZINC000246507367 891279536 /nfs/dbraw/zinc/27/95/36/891279536.db2.gz TVHSBHHSJRQEKO-FIKGOQFSSA-N 2 1 383.540 3.613 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000614965025 891658639 /nfs/dbraw/zinc/65/86/39/891658639.db2.gz JRMUAKCKKYYNFG-UHFFFAOYSA-N 2 1 391.559 3.877 20 0 GHADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000497526480 891793415 /nfs/dbraw/zinc/79/34/15/891793415.db2.gz WMEOPMKSNZFNDM-OKZBNKHCSA-N 2 1 376.541 3.506 20 0 GHADMP COc1cc(C[NH+]2CCC[C@H](OC)CC2)cc(C[N@@H+]2CCC[C@@H](OC)CC2)c1 ZINC000645000345 913597578 /nfs/dbraw/zinc/59/75/78/913597578.db2.gz REGJFWPYHVUZRZ-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@H](OC)CC2)cc(C[N@@H+]2CCC[C@H](OC)CC2)c1 ZINC000645000345 913597594 /nfs/dbraw/zinc/59/75/94/913597594.db2.gz REGJFWPYHVUZRZ-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP COc1cc(C[NH+]2CCC[C@@H](OC)CC2)cc(C[N@H+]2CCC[C@H](OC)CC2)c1 ZINC000645000345 913597603 /nfs/dbraw/zinc/59/76/03/913597603.db2.gz REGJFWPYHVUZRZ-SZPZYZBQSA-N 2 1 390.568 3.697 20 0 GHADMP CC(C)n1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)cn1 ZINC001137076328 891959551 /nfs/dbraw/zinc/95/95/51/891959551.db2.gz AYYXWNPCOWTNMP-IBGZPJMESA-N 2 1 388.581 3.781 20 0 GHADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262654543 892108826 /nfs/dbraw/zinc/10/88/26/892108826.db2.gz CBGNXKVTNPVFFO-UWJYYQICSA-N 2 1 385.939 3.710 20 0 GHADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262654543 892108832 /nfs/dbraw/zinc/10/88/32/892108832.db2.gz CBGNXKVTNPVFFO-UWJYYQICSA-N 2 1 385.939 3.710 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000497702491 892235982 /nfs/dbraw/zinc/23/59/82/892235982.db2.gz HSFXPAARAIKPFW-QFIPXVFZSA-N 2 1 398.595 3.879 20 0 GHADMP c1csc(-c2ccn(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2)n1 ZINC000814223949 892415690 /nfs/dbraw/zinc/41/56/90/892415690.db2.gz WIXSBXJMUJQXKD-UHFFFAOYSA-N 2 1 393.560 3.952 20 0 GHADMP c1csc(-c2ccn(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2)n1 ZINC000814223949 892415705 /nfs/dbraw/zinc/41/57/05/892415705.db2.gz WIXSBXJMUJQXKD-UHFFFAOYSA-N 2 1 393.560 3.952 20 0 GHADMP CC(C)[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cn1 ZINC000497821667 892504828 /nfs/dbraw/zinc/50/48/28/892504828.db2.gz JIFTUEJNDDASJK-DHIUTWEWSA-N 2 1 384.543 3.886 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000508708980 892802896 /nfs/dbraw/zinc/80/28/96/892802896.db2.gz FNOOQEJRYUFPGF-DYXWJJEUSA-N 2 1 383.605 3.995 20 0 GHADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+]([C@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753161 892916212 /nfs/dbraw/zinc/91/62/12/892916212.db2.gz MUYLVPKQLLWABC-KJJMTIBFSA-N 2 1 390.612 3.651 20 0 GHADMP CN(C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876035770 892920996 /nfs/dbraw/zinc/92/09/96/892920996.db2.gz URYSNJIHOIHSQO-AIZNXBIQSA-N 2 1 398.595 3.555 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H]1C[C@@H]3[C@H](C1)C3(C)C)CC2 ZINC001170753399 892944454 /nfs/dbraw/zinc/94/44/54/892944454.db2.gz PLHJNQQDZUJUFV-MKXGPGLRSA-N 2 1 389.609 3.881 20 0 GHADMP C[C@H](NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722632 892975038 /nfs/dbraw/zinc/97/50/38/892975038.db2.gz UGMPFGNGSORXQB-GBXCKJPGSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508722632 892975048 /nfs/dbraw/zinc/97/50/48/892975048.db2.gz UGMPFGNGSORXQB-GBXCKJPGSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722632 892975055 /nfs/dbraw/zinc/97/50/55/892975055.db2.gz UGMPFGNGSORXQB-GBXCKJPGSA-N 2 1 377.576 3.586 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508723382 892988008 /nfs/dbraw/zinc/98/80/08/892988008.db2.gz WHXHSSVWOCDXFV-ZJSXRUAMSA-N 2 1 393.575 3.519 20 0 GHADMP C[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC(=O)OC(C)(C)C ZINC000814640539 893028652 /nfs/dbraw/zinc/02/86/52/893028652.db2.gz KLAFSHCUYWYEBF-IBGZPJMESA-N 2 1 387.568 3.888 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]([NH+](C)C)CC3)c2c1C ZINC000428659952 893096003 /nfs/dbraw/zinc/09/60/03/893096003.db2.gz JZTMGFYSBKHIOI-QGZVFWFLSA-N 2 1 387.597 3.824 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCCCC1 ZINC000918120097 893194997 /nfs/dbraw/zinc/19/49/97/893194997.db2.gz CAOUJTPWWDEQPD-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CCCCC1 ZINC000918120099 893195277 /nfs/dbraw/zinc/19/52/77/893195277.db2.gz CAOUJTPWWDEQPD-WOJBJXKFSA-N 2 1 386.584 3.735 20 0 GHADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCCNC(=O)OC(C)(C)C)c1ccccc1 ZINC001170770130 893262465 /nfs/dbraw/zinc/26/24/65/893262465.db2.gz ZODIRKNIZJJYFV-FQEVSTJZSA-N 2 1 386.540 3.989 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536666363 893480971 /nfs/dbraw/zinc/48/09/71/893480971.db2.gz IVMFMVTWJNZZAP-OXQOHEQNSA-N 2 1 389.490 3.683 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3c(F)cccc3F)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536666363 893480985 /nfs/dbraw/zinc/48/09/85/893480985.db2.gz IVMFMVTWJNZZAP-OXQOHEQNSA-N 2 1 389.490 3.683 20 0 GHADMP CCC[N@H+](Cc1cnc2n[nH]c(C)c2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536669111 893496782 /nfs/dbraw/zinc/49/67/82/893496782.db2.gz PYQGJWXZOKPDCH-UHFFFAOYSA-N 2 1 393.539 3.554 20 0 GHADMP CCC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000536669111 893496791 /nfs/dbraw/zinc/49/67/91/893496791.db2.gz PYQGJWXZOKPDCH-UHFFFAOYSA-N 2 1 393.539 3.554 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)[C@H]1Sc1ccccc1 ZINC000459428609 893512476 /nfs/dbraw/zinc/51/24/76/893512476.db2.gz OSCSGFAHQFITSH-YPAWHYETSA-N 2 1 392.609 3.804 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000536695265 893557269 /nfs/dbraw/zinc/55/72/69/893557269.db2.gz WILWJLMFEVPKEK-MRXNPFEDSA-N 2 1 398.473 3.525 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000536695265 893557281 /nfs/dbraw/zinc/55/72/81/893557281.db2.gz WILWJLMFEVPKEK-MRXNPFEDSA-N 2 1 398.473 3.525 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000536695449 893558231 /nfs/dbraw/zinc/55/82/31/893558231.db2.gz BNTFJQMAELKXQQ-LJQANCHMSA-N 2 1 376.932 3.663 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536711512 893618900 /nfs/dbraw/zinc/61/89/00/893618900.db2.gz WLZDUMIKRUMRQT-DEOSSOPVSA-N 2 1 393.575 3.963 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3c3ccccc3OC)CC2)CC1 ZINC000563372934 893673743 /nfs/dbraw/zinc/67/37/43/893673743.db2.gz CDLTUJPMLBXPPN-JOCHJYFZSA-N 2 1 399.579 3.555 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221168 893849036 /nfs/dbraw/zinc/84/90/36/893849036.db2.gz KEOQLMFMPZVWHP-LQWHRVPQSA-N 2 1 387.568 3.742 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686221168 893849051 /nfs/dbraw/zinc/84/90/51/893849051.db2.gz KEOQLMFMPZVWHP-LQWHRVPQSA-N 2 1 387.568 3.742 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@@H](C)C1 ZINC000536875788 893986971 /nfs/dbraw/zinc/98/69/71/893986971.db2.gz IGYLLCQEKYRQNQ-LPHOPBHVSA-N 2 1 399.373 3.555 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224940 893987647 /nfs/dbraw/zinc/98/76/47/893987647.db2.gz WKBLCEGGVVJCKV-LVCYWYKZSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686224940 893987655 /nfs/dbraw/zinc/98/76/55/893987655.db2.gz WKBLCEGGVVJCKV-LVCYWYKZSA-N 2 1 387.568 3.885 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C[C@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198120 894086407 /nfs/dbraw/zinc/08/64/07/894086407.db2.gz SPQUDXZTGBZPQO-DNVJHFABSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C[C@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198120 894086423 /nfs/dbraw/zinc/08/64/23/894086423.db2.gz SPQUDXZTGBZPQO-DNVJHFABSA-N 2 1 384.564 3.559 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C[C@H]4CC5(CO4)CCOCC5)CC[C@H]32)cc1 ZINC000878198120 894086436 /nfs/dbraw/zinc/08/64/36/894086436.db2.gz SPQUDXZTGBZPQO-DNVJHFABSA-N 2 1 384.564 3.559 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](c3ccc(F)cc3)C3CC3)c2)C1 ZINC000536999104 894205981 /nfs/dbraw/zinc/20/59/81/894205981.db2.gz YEYCZHHMSBIRNW-GGAORHGYSA-N 2 1 395.522 3.764 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)cn2)C[C@H](C)O1 ZINC000563818289 894222905 /nfs/dbraw/zinc/22/29/05/894222905.db2.gz KSNBFJXFUJKYEC-VNHKHXMHSA-N 2 1 394.563 3.620 20 0 GHADMP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)cn2)C[C@H](C)O1 ZINC000563818289 894222924 /nfs/dbraw/zinc/22/29/24/894222924.db2.gz KSNBFJXFUJKYEC-VNHKHXMHSA-N 2 1 394.563 3.620 20 0 GHADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607208 894436348 /nfs/dbraw/zinc/43/63/48/894436348.db2.gz UNCJYAGGWRGTDV-LADGPHEKSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607208 894436353 /nfs/dbraw/zinc/43/63/53/894436353.db2.gz UNCJYAGGWRGTDV-LADGPHEKSA-N 2 1 384.564 3.560 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCC5(CCOCC5)CO4)C3)C2)cc1 ZINC000878607208 894436357 /nfs/dbraw/zinc/43/63/57/894436357.db2.gz UNCJYAGGWRGTDV-LADGPHEKSA-N 2 1 384.564 3.560 20 0 GHADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000476046929 895044123 /nfs/dbraw/zinc/04/41/23/895044123.db2.gz ASUWYGDMYJOHFP-ZJSXRUAMSA-N 2 1 398.595 3.559 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCC4(CCCO4)CC3)C3(C2)CCOCC3)cc1 ZINC000645490741 913933251 /nfs/dbraw/zinc/93/32/51/913933251.db2.gz NHWMWUGHBMUFFJ-BJYSPHJKSA-N 2 1 398.591 3.997 20 0 GHADMP COc1ccc([C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C2CC2)c(F)c1 ZINC000564818009 895266277 /nfs/dbraw/zinc/26/62/77/895266277.db2.gz BRVNQLPGNAVZKZ-JOCHJYFZSA-N 2 1 384.499 3.951 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000564845347 895279042 /nfs/dbraw/zinc/27/90/42/895279042.db2.gz UHIYENYTXFMKQJ-DDKRZIBASA-N 2 1 394.559 3.678 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000564845347 895279050 /nfs/dbraw/zinc/27/90/50/895279050.db2.gz UHIYENYTXFMKQJ-DDKRZIBASA-N 2 1 394.559 3.678 20 0 GHADMP Fc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000543763028 913954307 /nfs/dbraw/zinc/95/43/07/913954307.db2.gz XBOUQTOBDJPMIN-VVSUKSJXSA-N 2 1 394.538 3.690 20 0 GHADMP O[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275112 895459859 /nfs/dbraw/zinc/45/98/59/895459859.db2.gz WBDYPRGQKPQKIC-RPWUZVMVSA-N 2 1 380.532 3.607 20 0 GHADMP O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817275112 895459875 /nfs/dbraw/zinc/45/98/75/895459875.db2.gz WBDYPRGQKPQKIC-RPWUZVMVSA-N 2 1 380.532 3.607 20 0 GHADMP O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000817274468 895462239 /nfs/dbraw/zinc/46/22/39/895462239.db2.gz LNXGPMZKCUXFRJ-XMMPIXPASA-N 2 1 398.522 3.604 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000565547839 895714736 /nfs/dbraw/zinc/71/47/36/895714736.db2.gz DIOLZZSRYLUXID-VLCRHTCISA-N 2 1 375.601 3.610 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+](CCCc2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000565775109 895868009 /nfs/dbraw/zinc/86/80/09/895868009.db2.gz HDWIJZDZUJKHHP-BEFAXECRSA-N 2 1 398.378 3.506 20 0 GHADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000817897500 895952510 /nfs/dbraw/zinc/95/25/10/895952510.db2.gz RAKKXNRRERFPMP-VWNXMTODSA-N 3 1 383.580 3.877 20 0 GHADMP C[C@H](NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C1=CC[N@@H+](C)CC1 ZINC000543764493 914023962 /nfs/dbraw/zinc/02/39/62/914023962.db2.gz PTDSGCDERIKTDR-IBGZPJMESA-N 2 1 384.568 3.733 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C3)CCC[N@@H+](C)C4)c2c1C ZINC000565998111 896039199 /nfs/dbraw/zinc/03/91/99/896039199.db2.gz IGEXMOPHDPQXKF-QFIPXVFZSA-N 2 1 399.608 3.826 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2c1C ZINC000565998111 896039206 /nfs/dbraw/zinc/03/92/06/896039206.db2.gz IGEXMOPHDPQXKF-QFIPXVFZSA-N 2 1 399.608 3.826 20 0 GHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000566089349 896100189 /nfs/dbraw/zinc/10/01/89/896100189.db2.gz AVNABZNJQUFMHJ-WBMJQRKESA-N 2 1 386.849 3.714 20 0 GHADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(Cl)nc3cc(Cl)ccn32)cc1 ZINC000796265081 914036265 /nfs/dbraw/zinc/03/62/65/914036265.db2.gz DXCFFVWLLPWRAL-UHFFFAOYSA-N 2 1 393.318 3.871 20 0 GHADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289118146 914042045 /nfs/dbraw/zinc/04/20/45/914042045.db2.gz DGZDIUJCCQWUFU-ROQCDXFCSA-N 2 1 382.552 3.794 20 0 GHADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000566413322 896296913 /nfs/dbraw/zinc/29/69/13/896296913.db2.gz GBZKLXYQLUVYEV-UHFFFAOYSA-N 2 1 382.430 3.721 20 0 GHADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000566413322 896296925 /nfs/dbraw/zinc/29/69/25/896296925.db2.gz GBZKLXYQLUVYEV-UHFFFAOYSA-N 2 1 382.430 3.721 20 0 GHADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000818980606 896299907 /nfs/dbraw/zinc/29/99/07/896299907.db2.gz MOWNHQYQGINGIK-SUMWQHHRSA-N 2 1 389.765 3.632 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC1 ZINC000626139257 896404784 /nfs/dbraw/zinc/40/47/84/896404784.db2.gz CMFOTVUAMXQKOG-FGCOXFRFSA-N 2 1 397.607 3.835 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626139257 896404790 /nfs/dbraw/zinc/40/47/90/896404790.db2.gz CMFOTVUAMXQKOG-FGCOXFRFSA-N 2 1 397.607 3.835 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626139257 896404803 /nfs/dbraw/zinc/40/48/03/896404803.db2.gz CMFOTVUAMXQKOG-FGCOXFRFSA-N 2 1 397.607 3.835 20 0 GHADMP CC[NH+]1CCC(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000566869654 896650473 /nfs/dbraw/zinc/65/04/73/896650473.db2.gz NAWGMSNPPKQPPD-UHFFFAOYSA-N 2 1 379.548 3.537 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000567103534 896876852 /nfs/dbraw/zinc/87/68/52/896876852.db2.gz HSCLOFXYHOWQBN-QUURXOELSA-N 2 1 394.559 3.536 20 0 GHADMP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826283316 896882462 /nfs/dbraw/zinc/88/24/62/896882462.db2.gz OMOUXHLGMSBUCE-GOSISDBHSA-N 2 1 390.535 3.533 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC001170938897 897002478 /nfs/dbraw/zinc/00/24/78/897002478.db2.gz AVXCQEWPTKKAHD-WTIAFYNJSA-N 2 1 379.548 3.564 20 0 GHADMP CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000567890670 897472384 /nfs/dbraw/zinc/47/23/84/897472384.db2.gz SPDMRQWTVKRFQC-UHFFFAOYSA-N 2 1 393.535 3.957 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)CC1 ZINC000568211205 897678487 /nfs/dbraw/zinc/67/84/87/897678487.db2.gz WEEYSSCJIRQFSY-OAQYLSRUSA-N 2 1 375.601 3.802 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(-c4ccccc4F)n3)CC2)C1 ZINC000568274573 897708327 /nfs/dbraw/zinc/70/83/27/897708327.db2.gz HBWQKMYUBZDFRS-DNVCBOLYSA-N 2 1 375.513 3.668 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000132438324 897785801 /nfs/dbraw/zinc/78/58/01/897785801.db2.gz ZNYYSSCNRWNHAH-WVVQBRDUSA-N 2 1 385.552 3.781 20 0 GHADMP Cc1cccc2ncc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n21 ZINC001137195436 897868266 /nfs/dbraw/zinc/86/82/66/897868266.db2.gz MYYGQSNFGZMQLK-UHFFFAOYSA-N 2 1 375.520 3.526 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000568608181 897978183 /nfs/dbraw/zinc/97/81/83/897978183.db2.gz QIFZZLLEEGZGPA-JYBLXFRWSA-N 2 1 392.547 3.701 20 0 GHADMP CCc1nc(NCCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cc(C)[nH+]1 ZINC001185968616 914233172 /nfs/dbraw/zinc/23/31/72/914233172.db2.gz JOYNGIQHRQPBDB-HDICACEKSA-N 2 1 382.552 3.969 20 0 GHADMP CCc1nc(NCCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cc(C)[nH+]1 ZINC001185968616 914233190 /nfs/dbraw/zinc/23/31/90/914233190.db2.gz JOYNGIQHRQPBDB-HDICACEKSA-N 2 1 382.552 3.969 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000569392492 898611236 /nfs/dbraw/zinc/61/12/36/898611236.db2.gz MNOUCHMBFFDXEL-UHFFFAOYSA-N 2 1 394.313 3.637 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000569392492 898611247 /nfs/dbraw/zinc/61/12/47/898611247.db2.gz MNOUCHMBFFDXEL-UHFFFAOYSA-N 2 1 394.313 3.637 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171021759 899127290 /nfs/dbraw/zinc/12/72/90/899127290.db2.gz BBOYDFLHBIYNDI-INIZCTEOSA-N 2 1 393.959 3.515 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cccc(O)c1 ZINC000570219233 899202957 /nfs/dbraw/zinc/20/29/57/899202957.db2.gz JDPCXKPZAGYLFI-UGKGYDQZSA-N 2 1 380.532 3.972 20 0 GHADMP [NH3+][C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000884228110 899433932 /nfs/dbraw/zinc/43/39/32/899433932.db2.gz IKGZJEDLKKNOQV-GOSISDBHSA-N 2 1 383.458 3.619 20 0 GHADMP [NH3+][C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000884228111 899434292 /nfs/dbraw/zinc/43/42/92/899434292.db2.gz IKGZJEDLKKNOQV-SFHVURJKSA-N 2 1 383.458 3.619 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(C(=O)OCc4ccccc4)[nH]3)C2)CC1 ZINC000824389816 899578409 /nfs/dbraw/zinc/57/84/09/899578409.db2.gz VCNXXXZBCZYQAQ-HXUWFJFHSA-N 2 1 381.520 3.535 20 0 GHADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000824389993 899579312 /nfs/dbraw/zinc/57/93/12/899579312.db2.gz YIGVJRWXFIRLKU-QWFCFKBJSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000570919185 899681593 /nfs/dbraw/zinc/68/15/93/899681593.db2.gz HFXIXUCLVSTICD-OSMBCOQSSA-N 2 1 375.513 3.669 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824548664 899681729 /nfs/dbraw/zinc/68/17/29/899681729.db2.gz YWLLYPINLVTTOD-IAGOWNOFSA-N 2 1 376.508 3.743 20 0 GHADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824540070 899699964 /nfs/dbraw/zinc/69/99/64/899699964.db2.gz RCVNEJSKAKILEG-RQXXJAGISA-N 2 1 390.535 3.674 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)CC1 ZINC000134682782 900107529 /nfs/dbraw/zinc/10/75/29/900107529.db2.gz WVHOYKBFGUWLGP-HNNXBMFYSA-N 2 1 376.545 3.550 20 0 GHADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000825450903 900171540 /nfs/dbraw/zinc/17/15/40/900171540.db2.gz FHNLKJIAESAFAY-MRXNPFEDSA-N 2 1 376.508 3.669 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000825450901 900172032 /nfs/dbraw/zinc/17/20/32/900172032.db2.gz FHNLKJIAESAFAY-INIZCTEOSA-N 2 1 376.508 3.669 20 0 GHADMP [NH3+][C@@H]1CCc2c3ccccc3n(-c3c[nH+]c4cc(Br)ccn43)c2C1 ZINC001171096495 900355642 /nfs/dbraw/zinc/35/56/42/900355642.db2.gz XPNQCTIHYOLTCP-CYBMUJFWSA-N 2 1 381.277 3.857 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000573236982 900429947 /nfs/dbraw/zinc/42/99/47/900429947.db2.gz STERRIOJPFABIX-NQIIRXRSSA-N 2 1 388.577 3.647 20 0 GHADMP CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000573813316 900643848 /nfs/dbraw/zinc/64/38/48/900643848.db2.gz NZRDTFYSXYZKCB-HKUYNNGSSA-N 2 1 385.552 3.851 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844633 900660927 /nfs/dbraw/zinc/66/09/27/900660927.db2.gz APGNDPHRAQDKFY-XHDPSFHLSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844633 900660935 /nfs/dbraw/zinc/66/09/35/900660935.db2.gz APGNDPHRAQDKFY-XHDPSFHLSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844633 900660942 /nfs/dbraw/zinc/66/09/42/900660942.db2.gz APGNDPHRAQDKFY-XHDPSFHLSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844633 900660947 /nfs/dbraw/zinc/66/09/47/900660947.db2.gz APGNDPHRAQDKFY-XHDPSFHLSA-N 2 1 390.163 3.984 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000574097701 900770508 /nfs/dbraw/zinc/77/05/08/900770508.db2.gz DPTYSHKOHUVGAT-JOCHJYFZSA-N 2 1 383.580 3.722 20 0 GHADMP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)O2 ZINC000886335539 900939186 /nfs/dbraw/zinc/93/91/86/900939186.db2.gz DMNKSEQJJAVMFN-MMUOCADFSA-N 2 1 384.564 3.746 20 0 GHADMP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)O2 ZINC000886335539 900939196 /nfs/dbraw/zinc/93/91/96/900939196.db2.gz DMNKSEQJJAVMFN-MMUOCADFSA-N 2 1 384.564 3.746 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(O)c1C)CC2 ZINC001144111985 901075212 /nfs/dbraw/zinc/07/52/12/901075212.db2.gz GVBMJKHECKMGAV-JOCHJYFZSA-N 2 1 395.547 3.599 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000886526016 901125075 /nfs/dbraw/zinc/12/50/75/901125075.db2.gz CODHERYZIZWLAZ-UUXHPUJUSA-N 2 1 376.504 3.972 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886641129 901201958 /nfs/dbraw/zinc/20/19/58/901201958.db2.gz AEGDOWQUJLISHC-BBWFWOEESA-N 2 1 378.442 3.582 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886641129 901201970 /nfs/dbraw/zinc/20/19/70/901201970.db2.gz AEGDOWQUJLISHC-BBWFWOEESA-N 2 1 378.442 3.582 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000844901881 901484376 /nfs/dbraw/zinc/48/43/76/901484376.db2.gz HTVISMQCKNQNJJ-SQGPQFPESA-N 2 1 388.943 3.552 20 0 GHADMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000575930216 901489366 /nfs/dbraw/zinc/48/93/66/901489366.db2.gz MZTKRFNQNRQEFI-LLVKDONJSA-N 2 1 388.314 3.526 20 0 GHADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000576219361 901830279 /nfs/dbraw/zinc/83/02/79/901830279.db2.gz YWALNQABPPMKDE-WCQYABFASA-N 2 1 377.838 3.808 20 0 GHADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000576748647 902234335 /nfs/dbraw/zinc/23/43/35/902234335.db2.gz KPLURERRRAOWHL-IEEQIXEPSA-N 2 1 382.548 3.534 20 0 GHADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000576755943 902239152 /nfs/dbraw/zinc/23/91/52/902239152.db2.gz CFXVININVJWAAN-ZRBLBEILSA-N 2 1 377.532 3.508 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000576914303 902353989 /nfs/dbraw/zinc/35/39/89/902353989.db2.gz CIJDORPDKWARAM-QGZVFWFLSA-N 2 1 394.991 3.580 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000126900038 902388328 /nfs/dbraw/zinc/38/83/28/902388328.db2.gz CRWWFUKPORCUOM-IAGOWNOFSA-N 2 1 392.590 3.714 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000126900038 902388330 /nfs/dbraw/zinc/38/83/30/902388330.db2.gz CRWWFUKPORCUOM-IAGOWNOFSA-N 2 1 392.590 3.714 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577107790 902508398 /nfs/dbraw/zinc/50/83/98/902508398.db2.gz SMPZHOVBIBPCBP-LKUPVBHCSA-N 2 1 389.902 3.678 20 0 GHADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000577121803 902520206 /nfs/dbraw/zinc/52/02/06/902520206.db2.gz ILDKREISQWMMDO-DDRJZQQSSA-N 2 1 383.580 3.668 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(OCC3CC3)cc2)c2cccs2)CC1 ZINC000577124789 902521538 /nfs/dbraw/zinc/52/15/38/902521538.db2.gz YVPAOXLRUYRVQX-NRFANRHFSA-N 2 1 385.577 3.615 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)[C@H](c2ccccc2)C1 ZINC000845988758 902568405 /nfs/dbraw/zinc/56/84/05/902568405.db2.gz CKKAAMBKOIPAOI-WDQDQHCCSA-N 2 1 387.568 3.615 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000846227325 902802370 /nfs/dbraw/zinc/80/23/70/902802370.db2.gz NXAIOEXBSSTMKW-AKIFATBCSA-N 2 1 393.531 3.653 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000129804836 902856333 /nfs/dbraw/zinc/85/63/33/902856333.db2.gz DBNLCGPPVOPOIC-GBESFXJTSA-N 2 1 397.485 3.595 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000577596933 902933969 /nfs/dbraw/zinc/93/39/69/902933969.db2.gz ZWNZBTDTBQVSPS-SVFBPWRDSA-N 2 1 382.552 3.806 20 0 GHADMP COc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc(OC)c1O ZINC000290419003 914673548 /nfs/dbraw/zinc/67/35/48/914673548.db2.gz QUYAJLGRBOXGCU-UHFFFAOYSA-N 2 1 396.487 3.924 20 0 GHADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000600850634 903002379 /nfs/dbraw/zinc/00/23/79/903002379.db2.gz JFOYMLZJJRVSDT-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000600850634 903002387 /nfs/dbraw/zinc/00/23/87/903002387.db2.gz JFOYMLZJJRVSDT-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000600850634 903002404 /nfs/dbraw/zinc/00/24/04/903002404.db2.gz JFOYMLZJJRVSDT-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000600888938 903053976 /nfs/dbraw/zinc/05/39/76/903053976.db2.gz NWMKEKJRBINXBO-QGQMOVRQSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000600888938 903053987 /nfs/dbraw/zinc/05/39/87/903053987.db2.gz NWMKEKJRBINXBO-QGQMOVRQSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000600888938 903053995 /nfs/dbraw/zinc/05/39/95/903053995.db2.gz NWMKEKJRBINXBO-QGQMOVRQSA-N 2 1 398.595 3.602 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnn(C(C)C)c3)CC2)c1C ZINC000290512899 914713538 /nfs/dbraw/zinc/71/35/38/914713538.db2.gz PRKTWXRAHNJTAQ-UHFFFAOYSA-N 2 1 385.556 3.581 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnn(C(C)C)c3)CC2)c1C ZINC000290512899 914713542 /nfs/dbraw/zinc/71/35/42/914713542.db2.gz PRKTWXRAHNJTAQ-UHFFFAOYSA-N 2 1 385.556 3.581 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000779079487 903987441 /nfs/dbraw/zinc/98/74/41/903987441.db2.gz SKIBLUZLVBXWCR-KVSKMBFKSA-N 2 1 390.572 3.938 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC001148165797 904000660 /nfs/dbraw/zinc/00/06/60/904000660.db2.gz SOXSTVCOWDVDOL-XPWALMASSA-N 2 1 385.596 3.868 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001148165797 904000672 /nfs/dbraw/zinc/00/06/72/904000672.db2.gz SOXSTVCOWDVDOL-XPWALMASSA-N 2 1 385.596 3.868 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC001148165797 904000684 /nfs/dbraw/zinc/00/06/84/904000684.db2.gz SOXSTVCOWDVDOL-XPWALMASSA-N 2 1 385.596 3.868 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000646681447 914771657 /nfs/dbraw/zinc/77/16/57/914771657.db2.gz YTPOWVIIWGSQQX-GGAORHGYSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646681447 914771665 /nfs/dbraw/zinc/77/16/65/914771665.db2.gz YTPOWVIIWGSQQX-GGAORHGYSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646681447 914771672 /nfs/dbraw/zinc/77/16/72/914771672.db2.gz YTPOWVIIWGSQQX-GGAORHGYSA-N 2 1 385.596 3.712 20 0 GHADMP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000578752941 904100280 /nfs/dbraw/zinc/10/02/80/904100280.db2.gz BTBBYQBHBXBMRT-PGRDOPGGSA-N 2 1 378.520 3.944 20 0 GHADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000578752941 904100284 /nfs/dbraw/zinc/10/02/84/904100284.db2.gz BTBBYQBHBXBMRT-PGRDOPGGSA-N 2 1 378.520 3.944 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCC=CCCC1 ZINC001148799265 904212710 /nfs/dbraw/zinc/21/27/10/904212710.db2.gz GDKDYMHSINDWSS-NRFANRHFSA-N 2 1 375.601 3.778 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)COc1ccccc1Cl ZINC000579463419 904628139 /nfs/dbraw/zinc/62/81/39/904628139.db2.gz SBYSFPGZNDIGFG-IRXDYDNUSA-N 2 1 394.968 3.643 20 0 GHADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)COc1ccccc1Cl ZINC000579463419 904628144 /nfs/dbraw/zinc/62/81/44/904628144.db2.gz SBYSFPGZNDIGFG-IRXDYDNUSA-N 2 1 394.968 3.643 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN([C@@H]3CCc4cc(F)c(F)c(F)c4C3)C2)C1 ZINC001171534237 904760249 /nfs/dbraw/zinc/76/02/49/904760249.db2.gz FOIKAOYATFKIJR-VGOFRKELSA-N 2 1 396.497 3.784 20 0 GHADMP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC2)c1 ZINC001171522795 904801368 /nfs/dbraw/zinc/80/13/68/904801368.db2.gz DUXYSLCXIFOSBV-MRXNPFEDSA-N 2 1 390.449 3.920 20 0 GHADMP CCOC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000187683849 904822943 /nfs/dbraw/zinc/82/29/43/904822943.db2.gz KPCQAULPZOXJIZ-LJQANCHMSA-N 2 1 387.568 3.540 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554815 904826743 /nfs/dbraw/zinc/82/67/43/904826743.db2.gz ONJNMKMPQMKCNA-SFHVURJKSA-N 2 1 392.503 3.560 20 0 GHADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554815 904826755 /nfs/dbraw/zinc/82/67/55/904826755.db2.gz ONJNMKMPQMKCNA-SFHVURJKSA-N 2 1 392.503 3.560 20 0 GHADMP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)CC1(C)C ZINC001171622219 904885714 /nfs/dbraw/zinc/88/57/14/904885714.db2.gz XQUNIJXHJIEKGJ-HNNXBMFYSA-N 2 1 389.531 3.872 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001171726153 904952121 /nfs/dbraw/zinc/95/21/21/904952121.db2.gz DFJQMWINIWVSBV-ZNLUXHQJSA-N 2 1 391.515 3.520 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c2ccccc12 ZINC001171726153 904952134 /nfs/dbraw/zinc/95/21/34/904952134.db2.gz DFJQMWINIWVSBV-ZNLUXHQJSA-N 2 1 391.515 3.520 20 0 GHADMP Cc1nc(C[NH+]2CCC3(CN([C@H]4C[C@@H](C)[N@@H+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755593 904987885 /nfs/dbraw/zinc/98/78/85/904987885.db2.gz MZECEXMAKRQKFV-GCJKJVERSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[NH+]2CCC3(CN([C@H]4C[C@@H](C)[N@H+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755593 904987892 /nfs/dbraw/zinc/98/78/92/904987892.db2.gz MZECEXMAKRQKFV-GCJKJVERSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[N@H+]2CCC3(CN([C@H]4C[C@@H](C)[NH+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755593 904987895 /nfs/dbraw/zinc/98/78/95/904987895.db2.gz MZECEXMAKRQKFV-GCJKJVERSA-N 2 1 396.604 3.622 20 0 GHADMP Cc1nc(C[N@@H+]2CCC3(CN([C@H]4C[C@@H](C)[NH+](Cc5ccccc5)C4)C3)C2)cs1 ZINC001171755593 904987899 /nfs/dbraw/zinc/98/78/99/904987899.db2.gz MZECEXMAKRQKFV-GCJKJVERSA-N 2 1 396.604 3.622 20 0 GHADMP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CC1)C[N@H+](Cc1cccs1)CCO3)C2 ZINC001171796662 905053578 /nfs/dbraw/zinc/05/35/78/905053578.db2.gz PUTKLEZGXROQDP-SFHVURJKSA-N 2 1 386.536 3.721 20 0 GHADMP Fc1cccc2c1C[C@@H]([NH+]1CCC3(CC1)C[N@@H+](Cc1cccs1)CCO3)C2 ZINC001171796662 905053594 /nfs/dbraw/zinc/05/35/94/905053594.db2.gz PUTKLEZGXROQDP-SFHVURJKSA-N 2 1 386.536 3.721 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001171865308 905113286 /nfs/dbraw/zinc/11/32/86/905113286.db2.gz AYTAVPGASSCZHU-LADGPHEKSA-N 2 1 391.559 3.793 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001171956824 905164305 /nfs/dbraw/zinc/16/43/05/905164305.db2.gz QHHHDTCAPVUAFJ-NJRHGXBZSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001171956824 905164307 /nfs/dbraw/zinc/16/43/07/905164307.db2.gz QHHHDTCAPVUAFJ-NJRHGXBZSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1(C)CCC([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001171956824 905164311 /nfs/dbraw/zinc/16/43/11/905164311.db2.gz QHHHDTCAPVUAFJ-NJRHGXBZSA-N 2 1 384.564 3.952 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171967457 905175965 /nfs/dbraw/zinc/17/59/65/905175965.db2.gz ACOPMPFQJHVWAQ-PKOBYXMFSA-N 2 1 375.557 3.932 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171991505 905203378 /nfs/dbraw/zinc/20/33/78/905203378.db2.gz YXPWSNHJCGVVPQ-VQTJNVASSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171991505 905203390 /nfs/dbraw/zinc/20/33/90/905203390.db2.gz YXPWSNHJCGVVPQ-VQTJNVASSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@@H]([N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171991505 905203403 /nfs/dbraw/zinc/20/34/03/905203403.db2.gz YXPWSNHJCGVVPQ-VQTJNVASSA-N 2 1 384.499 3.512 20 0 GHADMP CC1(C)C[C@@H]([N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171991505 905203422 /nfs/dbraw/zinc/20/34/22/905203422.db2.gz YXPWSNHJCGVVPQ-VQTJNVASSA-N 2 1 384.499 3.512 20 0 GHADMP CCN1CC[C@@]2(C[N@H+]([C@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C)C1=O ZINC001171978921 905226071 /nfs/dbraw/zinc/22/60/71/905226071.db2.gz FULLGRODXWRKFI-PTLVVNQVSA-N 2 1 383.580 3.620 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C)C1=O ZINC001171978921 905226083 /nfs/dbraw/zinc/22/60/83/905226083.db2.gz FULLGRODXWRKFI-PTLVVNQVSA-N 2 1 383.580 3.620 20 0 GHADMP CCN1CC[C@@]2(C[NH+]([C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]2C)C1=O ZINC001171978921 905226096 /nfs/dbraw/zinc/22/60/96/905226096.db2.gz FULLGRODXWRKFI-PTLVVNQVSA-N 2 1 383.580 3.620 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171979751 905229383 /nfs/dbraw/zinc/22/93/83/905229383.db2.gz QNNWDDBMLRFMOS-PKTZIBPZSA-N 2 1 382.548 3.899 20 0 GHADMP COCc1cccc([C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171979751 905229402 /nfs/dbraw/zinc/22/94/02/905229402.db2.gz QNNWDDBMLRFMOS-PKTZIBPZSA-N 2 1 382.548 3.899 20 0 GHADMP Cc1nccc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC001171986819 905246168 /nfs/dbraw/zinc/24/61/68/905246168.db2.gz MQWOCEXCBZGMHB-JOCHJYFZSA-N 2 1 393.579 3.787 20 0 GHADMP CC1(C)C[C@H](N(c2ncc(F)cn2)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987246 905247382 /nfs/dbraw/zinc/24/73/82/905247382.db2.gz SCWSWMPPGXFQOG-OAQYLSRUSA-N 2 1 397.542 3.617 20 0 GHADMP CC1(C)C[C@@H](N2CC([NH+]3CCC(F)(F)CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171987925 905251408 /nfs/dbraw/zinc/25/14/08/905251408.db2.gz MDQWJNQVBHIOPS-IBGZPJMESA-N 2 1 377.523 3.845 20 0 GHADMP CC1(C)C[C@@H](N2CC([NH+]3CCC(F)(F)CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987925 905251416 /nfs/dbraw/zinc/25/14/16/905251416.db2.gz MDQWJNQVBHIOPS-IBGZPJMESA-N 2 1 377.523 3.845 20 0 GHADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1=O ZINC001172029458 905265066 /nfs/dbraw/zinc/26/50/66/905265066.db2.gz BKSLMRDZWQADAC-KMDXXIMOSA-N 2 1 391.559 3.645 20 0 GHADMP O=C(NCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccc1 ZINC001172073137 905277605 /nfs/dbraw/zinc/27/76/05/905277605.db2.gz OHYHREWJUBERBJ-WBDAEOGXSA-N 2 1 392.547 3.983 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH+]2CCCN(c4ncccn4)CC2)C3)cc1 ZINC001172075923 905287532 /nfs/dbraw/zinc/28/75/32/905287532.db2.gz UPXIQXXOWLHRFM-JKHIJQBDSA-N 2 1 391.563 3.574 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@@H+]2CCCN(c4ncccn4)CC2)C3)cc1 ZINC001172075923 905287544 /nfs/dbraw/zinc/28/75/44/905287544.db2.gz UPXIQXXOWLHRFM-JKHIJQBDSA-N 2 1 391.563 3.574 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CCC[C@H]2C[C@@H]([N@H+]2CCCN(c4ncccn4)CC2)C3)cc1 ZINC001172075923 905287563 /nfs/dbraw/zinc/28/75/63/905287563.db2.gz UPXIQXXOWLHRFM-JKHIJQBDSA-N 2 1 391.563 3.574 20 0 GHADMP CN(C)C(=O)[C@H]1CC12CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001172076086 905287827 /nfs/dbraw/zinc/28/78/27/905287827.db2.gz ZNWOOSUCKXXEKB-KAOXLYBCSA-N 2 1 395.591 3.762 20 0 GHADMP Fc1cnc(O[C@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)nc1 ZINC001172084768 905299124 /nfs/dbraw/zinc/29/91/24/905299124.db2.gz DJVXUPFXTSYARK-CBPXPLCBSA-N 2 1 396.510 3.655 20 0 GHADMP Fc1cnc(O[C@H]2CC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084768 905299139 /nfs/dbraw/zinc/29/91/39/905299139.db2.gz DJVXUPFXTSYARK-CBPXPLCBSA-N 2 1 396.510 3.655 20 0 GHADMP Fc1cnc(O[C@H]2CC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4Cc3ccccc3)C2)nc1 ZINC001172084768 905299154 /nfs/dbraw/zinc/29/91/54/905299154.db2.gz DJVXUPFXTSYARK-CBPXPLCBSA-N 2 1 396.510 3.655 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172091238 905312453 /nfs/dbraw/zinc/31/24/53/905312453.db2.gz WJFFYLHUSKQBJP-XRRMGXKQSA-N 2 1 377.573 3.912 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3C(=O)OC(C)(C)C)C2 ZINC001172091238 905312471 /nfs/dbraw/zinc/31/24/71/905312471.db2.gz WJFFYLHUSKQBJP-XRRMGXKQSA-N 2 1 377.573 3.912 20 0 GHADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC001172063352 905328167 /nfs/dbraw/zinc/32/81/67/905328167.db2.gz YONCUKOSRCWGBO-ZKGSSEMHSA-N 2 1 394.559 3.739 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001172066776 905330229 /nfs/dbraw/zinc/33/02/29/905330229.db2.gz BFFPORKLPXTCOK-PIATZUFCSA-N 2 1 380.532 3.904 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH2+][C@H]2CCCN(c4ccncn4)C2)C3)cc1 ZINC001172065300 905330521 /nfs/dbraw/zinc/33/05/21/905330521.db2.gz KGTHOWFFRWYKNZ-CWBXHPNXSA-N 2 1 391.563 3.621 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H]([NH2+][C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC001172067528 905335108 /nfs/dbraw/zinc/33/51/08/905335108.db2.gz GEGSFVFJVYZUFA-GPJHCHHRSA-N 2 1 391.563 3.621 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@H]21 ZINC001172115880 905365668 /nfs/dbraw/zinc/36/56/68/905365668.db2.gz AHQWIFFOCVVKBD-TZMRYXNNSA-N 2 1 394.538 3.813 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@H]21 ZINC001172115880 905365675 /nfs/dbraw/zinc/36/56/75/905365675.db2.gz AHQWIFFOCVVKBD-TZMRYXNNSA-N 2 1 394.538 3.813 20 0 GHADMP Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@H]21 ZINC001172115880 905365692 /nfs/dbraw/zinc/36/56/92/905365692.db2.gz AHQWIFFOCVVKBD-TZMRYXNNSA-N 2 1 394.538 3.813 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC001172211520 905412289 /nfs/dbraw/zinc/41/22/89/905412289.db2.gz HDWXBYQVCAMBTN-SYBQKDCBSA-N 2 1 378.944 3.623 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC001172211520 905412303 /nfs/dbraw/zinc/41/23/03/905412303.db2.gz HDWXBYQVCAMBTN-SYBQKDCBSA-N 2 1 378.944 3.623 20 0 GHADMP COCCC[NH+]1CCC([NH+]2CCC(c3noc4ccc(F)cc43)CC2)CC1 ZINC001172255756 905450328 /nfs/dbraw/zinc/45/03/28/905450328.db2.gz MWVYATFNOGSHEO-UHFFFAOYSA-N 2 1 375.488 3.647 20 0 GHADMP CC[C@H](C)OCC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172330926 905495441 /nfs/dbraw/zinc/49/54/41/905495441.db2.gz OSZNNDMBKYUVRB-HSALFYBXSA-N 2 1 378.557 3.929 20 0 GHADMP CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC001172361554 905528388 /nfs/dbraw/zinc/52/83/88/905528388.db2.gz NZRBQWOUVDFIRM-QZTJIDSGSA-N 2 1 376.541 3.621 20 0 GHADMP CC(C)COCC[C@@H](C)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172467664 905579873 /nfs/dbraw/zinc/57/98/73/905579873.db2.gz SJIRHNVSAUGKTF-WOJBJXKFSA-N 2 1 378.557 3.786 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000801583569 921162418 /nfs/dbraw/zinc/16/24/18/921162418.db2.gz ZWXCOXZYZHSPCL-FCHUYYIVSA-N 2 1 393.531 3.902 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000801583569 921162419 /nfs/dbraw/zinc/16/24/19/921162419.db2.gz ZWXCOXZYZHSPCL-FCHUYYIVSA-N 2 1 393.531 3.902 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001172605954 905665413 /nfs/dbraw/zinc/66/54/13/905665413.db2.gz RPRXTBBCGSARBL-RHSMWYFYSA-N 2 1 384.442 3.687 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584942 921166027 /nfs/dbraw/zinc/16/60/27/921166027.db2.gz OBMRYPXGDJXISD-JTHBVZDNSA-N 2 1 398.547 3.628 20 0 GHADMP COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000801584942 921166035 /nfs/dbraw/zinc/16/60/35/921166035.db2.gz OBMRYPXGDJXISD-JTHBVZDNSA-N 2 1 398.547 3.628 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C3CC(C)(C)OC(C)(C)C3)CC[C@@H]21 ZINC001172656557 905720000 /nfs/dbraw/zinc/72/00/00/905720000.db2.gz JPFKWMIAYIAARP-DYXWJJEUSA-N 2 1 388.600 3.793 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](C3CC(C)(C)OC(C)(C)C3)CC[C@@H]21 ZINC001172656557 905720005 /nfs/dbraw/zinc/72/00/05/905720005.db2.gz JPFKWMIAYIAARP-DYXWJJEUSA-N 2 1 388.600 3.793 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](C3CC(C)(C)OC(C)(C)C3)CC[C@@H]21 ZINC001172656557 905720011 /nfs/dbraw/zinc/72/00/11/905720011.db2.gz JPFKWMIAYIAARP-DYXWJJEUSA-N 2 1 388.600 3.793 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](C3CC(C)(C)OC(C)(C)C3)CC[C@@H]21 ZINC001172656557 905720014 /nfs/dbraw/zinc/72/00/14/905720014.db2.gz JPFKWMIAYIAARP-DYXWJJEUSA-N 2 1 388.600 3.793 20 0 GHADMP CC(C)OC(=O)CC[C@H](C)[NH2+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001172744644 905785733 /nfs/dbraw/zinc/78/57/33/905785733.db2.gz DMRYIYXIVYPVNX-FCPXZXNCSA-N 2 1 378.516 3.683 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001172806005 905879724 /nfs/dbraw/zinc/87/97/24/905879724.db2.gz FICJCFJLJPKCRJ-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1 ZINC001172806005 905879733 /nfs/dbraw/zinc/87/97/33/905879733.db2.gz FICJCFJLJPKCRJ-WIYYLYMNSA-N 2 1 376.516 3.844 20 0 GHADMP CC(C)(C)OC(=O)C[NH+]1CCC(n2cc(C[NH3+])c3cc(Cl)ccc32)CC1 ZINC001172888558 905975942 /nfs/dbraw/zinc/97/59/42/905975942.db2.gz CLUMAMOTQGAYGF-UHFFFAOYSA-N 2 1 377.916 3.732 20 0 GHADMP CC[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(=O)OC(C)(C)C ZINC000190592386 906167836 /nfs/dbraw/zinc/16/78/36/906167836.db2.gz TWIBGSVEGRZOAH-FQEVSTJZSA-N 2 1 375.557 3.997 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)CC1 ZINC001173111082 906199229 /nfs/dbraw/zinc/19/92/29/906199229.db2.gz REPABMAHVSYFFZ-SPODAUKWSA-N 2 1 389.584 3.596 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1CCc3ncsc3C1)CC2 ZINC001173137576 906220454 /nfs/dbraw/zinc/22/04/54/906220454.db2.gz VKCNALUBDFZBNP-SFHVURJKSA-N 2 1 382.577 3.772 20 0 GHADMP COc1cccc2c1C[C@@H]([N@@H+](C)CC1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC001173166168 906224998 /nfs/dbraw/zinc/22/49/98/906224998.db2.gz RGZDQYQJJSSQQP-OAQYLSRUSA-N 2 1 380.532 3.843 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)CO2 ZINC001173155344 906241888 /nfs/dbraw/zinc/24/18/88/906241888.db2.gz BDCJXPJXMUOSRI-FHWLQOOXSA-N 2 1 384.495 3.910 20 0 GHADMP C[C@@H]1CC[NH+](CCCCC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000179478294 906509161 /nfs/dbraw/zinc/50/91/61/906509161.db2.gz HSFZAENLZQVTRG-ZCQNZVIGSA-N 2 1 398.599 3.716 20 0 GHADMP C[C@@H]1CC[N@@H+](CCCCC[NH+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000179478294 906509173 /nfs/dbraw/zinc/50/91/73/906509173.db2.gz HSFZAENLZQVTRG-ZCQNZVIGSA-N 2 1 398.599 3.716 20 0 GHADMP C[C@@H]1CC[N@H+](CCCCC[NH+]2CC[C@H](C)[C@H](n3ccnc3)C2)C[C@@H]1n1ccnc1 ZINC000179478294 906509184 /nfs/dbraw/zinc/50/91/84/906509184.db2.gz HSFZAENLZQVTRG-ZCQNZVIGSA-N 2 1 398.599 3.716 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000179955520 906643213 /nfs/dbraw/zinc/64/32/13/906643213.db2.gz REDNTEOUSLPWQV-INIZCTEOSA-N 2 1 383.517 3.825 20 0 GHADMP CN(c1ccccc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000179978198 906648796 /nfs/dbraw/zinc/64/87/96/906648796.db2.gz GWSAPACDRPAZJI-NDEPHWFRSA-N 2 1 399.604 3.586 20 0 GHADMP CN(c1ccccc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000179978198 906648801 /nfs/dbraw/zinc/64/88/01/906648801.db2.gz GWSAPACDRPAZJI-NDEPHWFRSA-N 2 1 399.604 3.586 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC12CCOCC2 ZINC000629533101 906856830 /nfs/dbraw/zinc/85/68/30/906856830.db2.gz HROXZPJMCYELFU-CQSZACIVSA-N 2 1 396.318 3.836 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC12CCOCC2 ZINC000629533101 906856835 /nfs/dbraw/zinc/85/68/35/906856835.db2.gz HROXZPJMCYELFU-CQSZACIVSA-N 2 1 396.318 3.836 20 0 GHADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C2 ZINC000629598889 906891269 /nfs/dbraw/zinc/89/12/69/906891269.db2.gz XWIKREQZCJTNRU-ZRZAMGCNSA-N 2 1 379.504 3.739 20 0 GHADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183185922 907345950 /nfs/dbraw/zinc/34/59/50/907345950.db2.gz UQTYRWQQPZOAPC-OWCLPIDISA-N 2 1 378.948 3.695 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)[C@@]34C[C@@H]3CCCC4)CC2)cc1 ZINC001175292823 907464794 /nfs/dbraw/zinc/46/47/94/907464794.db2.gz PYRUPRPVMJGILM-JCTONOIOSA-N 2 1 383.580 3.588 20 0 GHADMP C[C@@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CCN1c1cc[nH+]cc1 ZINC001175774850 907738910 /nfs/dbraw/zinc/73/89/10/907738910.db2.gz KYDCWIKVKAAKFN-CQSZACIVSA-N 2 1 394.288 3.573 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCc4ncccc43)C3(C2)CCOCC3)cc1 ZINC000631634898 907783049 /nfs/dbraw/zinc/78/30/49/907783049.db2.gz NWWXAKDUCZVYLP-QPPBQGQZSA-N 2 1 391.559 3.977 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000185544763 907789259 /nfs/dbraw/zinc/78/92/59/907789259.db2.gz ZJZPFWNJGSJQNQ-NHCUHLMSSA-N 2 1 389.565 3.655 20 0 GHADMP COc1cncc(/C=C\CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972401 907845508 /nfs/dbraw/zinc/84/55/08/907845508.db2.gz AZHLEGKVTXSDET-NXFSZHQFSA-N 2 1 377.532 3.947 20 0 GHADMP COc1cncc(/C=C\CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972401 907845520 /nfs/dbraw/zinc/84/55/20/907845520.db2.gz AZHLEGKVTXSDET-NXFSZHQFSA-N 2 1 377.532 3.947 20 0 GHADMP COc1cncc(/C=C\CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)c1 ZINC001175972401 907845535 /nfs/dbraw/zinc/84/55/35/907845535.db2.gz AZHLEGKVTXSDET-NXFSZHQFSA-N 2 1 377.532 3.947 20 0 GHADMP [NH3+]CCCOC1CC[NH+](Cc2coc(-c3ccccc3C(F)(F)F)n2)CC1 ZINC000631822694 907856923 /nfs/dbraw/zinc/85/69/23/907856923.db2.gz LIRPWGSXDCDCRL-UHFFFAOYSA-N 2 1 383.414 3.690 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCCS2 ZINC000188037432 908169985 /nfs/dbraw/zinc/16/99/85/908169985.db2.gz ATKVGKLTGKNZHH-UZLBHIALSA-N 2 1 376.566 3.713 20 0 GHADMP C[C@@H]1CN(C(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001177157156 908434884 /nfs/dbraw/zinc/43/48/84/908434884.db2.gz GRWCRZNAQDKIBW-WOJBJXKFSA-N 2 1 375.601 3.622 20 0 GHADMP C[C@H]1CN(C(C)(C)C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC001177157155 908435002 /nfs/dbraw/zinc/43/50/02/908435002.db2.gz GRWCRZNAQDKIBW-PMACEKPBSA-N 2 1 375.601 3.622 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCS2 ZINC000191547344 908640860 /nfs/dbraw/zinc/64/08/60/908640860.db2.gz XIGVJYJKDDBMAO-KNQAVFIVSA-N 2 1 398.572 3.979 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1c1cccs1 ZINC001177920295 908803357 /nfs/dbraw/zinc/80/33/57/908803357.db2.gz RTNQRZOMXLFLQX-WIYYLYMNSA-N 2 1 383.561 3.813 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1c1cccs1 ZINC001177920295 908803371 /nfs/dbraw/zinc/80/33/71/908803371.db2.gz RTNQRZOMXLFLQX-WIYYLYMNSA-N 2 1 383.561 3.813 20 0 GHADMP C[C@@H](c1cccc(NCc2ccc(OCC[NH+](C)C)cc2)c1)[NH+]1CCOCC1 ZINC001178007442 908846380 /nfs/dbraw/zinc/84/63/80/908846380.db2.gz SJKHCJRWHLOXSV-IBGZPJMESA-N 2 1 383.536 3.632 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2ccccc12 ZINC001178463428 909066245 /nfs/dbraw/zinc/06/62/45/909066245.db2.gz PUDLDNAWXOPNJH-OAQYLSRUSA-N 2 1 376.500 3.705 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000266795088 909304619 /nfs/dbraw/zinc/30/46/19/909304619.db2.gz MPRSXNDEAUHPKC-XKYYZAJSSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000266795088 909304636 /nfs/dbraw/zinc/30/46/36/909304636.db2.gz MPRSXNDEAUHPKC-XKYYZAJSSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000266795088 909304654 /nfs/dbraw/zinc/30/46/54/909304654.db2.gz MPRSXNDEAUHPKC-XKYYZAJSSA-N 2 1 398.595 3.696 20 0 GHADMP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001179339161 909496990 /nfs/dbraw/zinc/49/69/90/909496990.db2.gz XEZSJJWZJKSMJK-PGRDOPGGSA-N 2 1 390.531 3.943 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000245739756 909876687 /nfs/dbraw/zinc/87/66/87/909876687.db2.gz LJIHVPZREGRDIN-HROJSSOGSA-N 2 1 398.547 3.924 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000245739756 909876696 /nfs/dbraw/zinc/87/66/96/909876696.db2.gz LJIHVPZREGRDIN-HROJSSOGSA-N 2 1 398.547 3.924 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC001180167029 910004300 /nfs/dbraw/zinc/00/43/00/910004300.db2.gz ZESVEQBVJGBERM-UHFFFAOYSA-N 2 1 383.536 3.924 20 0 GHADMP COc1ccc(SCC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC001180311035 910063967 /nfs/dbraw/zinc/06/39/67/910063967.db2.gz WLYVGGCXLWIEIG-FQEVSTJZSA-N 2 1 386.561 3.534 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382639 910139372 /nfs/dbraw/zinc/13/93/72/910139372.db2.gz XWUVHQYARXJERU-YVWKXTFCSA-N 2 1 381.486 3.828 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638382639 910139377 /nfs/dbraw/zinc/13/93/77/910139377.db2.gz XWUVHQYARXJERU-YVWKXTFCSA-N 2 1 381.486 3.828 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000638386224 910141495 /nfs/dbraw/zinc/14/14/95/910141495.db2.gz LMRQHRHNXAIFRJ-OALUTQOASA-N 2 1 391.357 3.769 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)c1 ZINC000638563229 910191755 /nfs/dbraw/zinc/19/17/55/910191755.db2.gz KKFCZHGIHRRHTO-UHFFFAOYSA-N 2 1 380.458 3.980 20 0 GHADMP CCC(F)(F)C(C)(C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638599146 910200222 /nfs/dbraw/zinc/20/02/22/910200222.db2.gz YRJCLAWOYBNELJ-UHFFFAOYSA-N 2 1 381.511 3.558 20 0 GHADMP O=c1c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cccn1C(F)F ZINC000639039550 910296665 /nfs/dbraw/zinc/29/66/65/910296665.db2.gz VOVAMUXIMJRRHO-XUVXKRRUSA-N 2 1 387.474 3.634 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000269575039 910307749 /nfs/dbraw/zinc/30/77/49/910307749.db2.gz ZFYCETGKUJTRPA-UHFFFAOYSA-N 2 1 383.540 3.774 20 0 GHADMP Cc1sc2nc([C@H](C)[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nc(N)c2c1C ZINC000639705209 910621199 /nfs/dbraw/zinc/62/11/99/910621199.db2.gz UTHIRBMAIWQGPP-AWEZNQCLSA-N 2 1 382.537 3.559 20 0 GHADMP Cc1sc2nc([C@H](C)[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc(N)c2c1C ZINC000639705209 910621205 /nfs/dbraw/zinc/62/12/05/910621205.db2.gz UTHIRBMAIWQGPP-AWEZNQCLSA-N 2 1 382.537 3.559 20 0 GHADMP CCCn1cc(C[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)c(C)n1 ZINC001181534590 910824468 /nfs/dbraw/zinc/82/44/68/910824468.db2.gz NEGJJOXHZDOEQO-UHFFFAOYSA-N 2 1 399.583 3.718 20 0 GHADMP CCCn1cc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c(C)n1 ZINC001181534590 910824478 /nfs/dbraw/zinc/82/44/78/910824478.db2.gz NEGJJOXHZDOEQO-UHFFFAOYSA-N 2 1 399.583 3.718 20 0 GHADMP CCCn1cc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c(C)n1 ZINC001181534590 910824489 /nfs/dbraw/zinc/82/44/89/910824489.db2.gz NEGJJOXHZDOEQO-UHFFFAOYSA-N 2 1 399.583 3.718 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640611881 911083151 /nfs/dbraw/zinc/08/31/51/911083151.db2.gz KXZAKYWWFUSUOJ-SFHVURJKSA-N 2 1 387.572 3.652 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000640611881 911083172 /nfs/dbraw/zinc/08/31/72/911083172.db2.gz KXZAKYWWFUSUOJ-SFHVURJKSA-N 2 1 387.572 3.652 20 0 GHADMP c1c(C[NH2+]Cc2ccccc2)nnn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000641179911 911350860 /nfs/dbraw/zinc/35/08/60/911350860.db2.gz WNIDAZHUMZYEEE-UHFFFAOYSA-N 2 1 375.520 3.602 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000247655841 911380607 /nfs/dbraw/zinc/38/06/07/911380607.db2.gz XDFHJSJOITUKGC-SOLBZPMBSA-N 2 1 379.570 3.730 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000247655841 911380627 /nfs/dbraw/zinc/38/06/27/911380627.db2.gz XDFHJSJOITUKGC-SOLBZPMBSA-N 2 1 379.570 3.730 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1nccc1-c1ccncc1 ZINC000092294987 911471600 /nfs/dbraw/zinc/47/16/00/911471600.db2.gz QIJFOOVGWOJVOU-UHFFFAOYSA-N 2 1 376.508 3.536 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c2c1OC(F)(F)O2 ZINC001182325665 911488801 /nfs/dbraw/zinc/48/88/01/911488801.db2.gz CAWGCJRQTADLMI-SFHVURJKSA-N 2 1 384.492 3.789 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001186929985 914878720 /nfs/dbraw/zinc/87/87/20/914878720.db2.gz DRXWSVPDJJXOIZ-DEOSSOPVSA-N 2 1 389.543 3.728 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001186929985 914878737 /nfs/dbraw/zinc/87/87/37/914878737.db2.gz DRXWSVPDJJXOIZ-DEOSSOPVSA-N 2 1 389.543 3.728 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000647096233 915028613 /nfs/dbraw/zinc/02/86/13/915028613.db2.gz HMUXPUNBSKMZMN-GOSISDBHSA-N 2 1 381.520 3.959 20 0 GHADMP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)NCc1cccs1 ZINC000647334079 915157126 /nfs/dbraw/zinc/15/71/26/915157126.db2.gz FSOBZOAZEAZEMV-QRFRQXIXSA-N 2 1 377.598 3.776 20 0 GHADMP CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1OCC(F)(F)F ZINC000647479618 915293229 /nfs/dbraw/zinc/29/32/29/915293229.db2.gz NITNZOGIUSGIIW-IRXDYDNUSA-N 2 1 386.458 3.990 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1OCC(F)(F)F ZINC000647479618 915293243 /nfs/dbraw/zinc/29/32/43/915293243.db2.gz NITNZOGIUSGIIW-IRXDYDNUSA-N 2 1 386.458 3.990 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000647907675 915434233 /nfs/dbraw/zinc/43/42/33/915434233.db2.gz BBNPILGMRFDHIM-VAWZGJIGSA-N 2 1 393.531 3.824 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000647907675 915434236 /nfs/dbraw/zinc/43/42/36/915434236.db2.gz BBNPILGMRFDHIM-VAWZGJIGSA-N 2 1 393.531 3.824 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977415 915460146 /nfs/dbraw/zinc/46/01/46/915460146.db2.gz AZRISLOYYWIWQF-KGLIPLIRSA-N 2 1 378.879 3.741 20 0 GHADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)no1 ZINC000647977415 915460158 /nfs/dbraw/zinc/46/01/58/915460158.db2.gz AZRISLOYYWIWQF-KGLIPLIRSA-N 2 1 378.879 3.741 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3ccccc3nc1N1CCCCC1)CCO2 ZINC000648071504 915508287 /nfs/dbraw/zinc/50/82/87/915508287.db2.gz FXAQMAGELODEHX-UHFFFAOYSA-N 2 1 394.563 3.522 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3ccccc3nc1N1CCCCC1)CCO2 ZINC000648071504 915508293 /nfs/dbraw/zinc/50/82/93/915508293.db2.gz FXAQMAGELODEHX-UHFFFAOYSA-N 2 1 394.563 3.522 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cn(Cc3ccccc3)c3ccccc13)CCO2 ZINC000648071780 915508393 /nfs/dbraw/zinc/50/83/93/915508393.db2.gz SZUFZYHRPMKVOV-UHFFFAOYSA-N 2 1 389.543 3.986 20 0 GHADMP O=C(CC[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000292207062 915560865 /nfs/dbraw/zinc/56/08/65/915560865.db2.gz YQRLBHHUWNMJRG-HNNXBMFYSA-N 2 1 384.351 3.606 20 0 GHADMP O=C(Cc1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1)Nc1ccccc1 ZINC000649418063 916148238 /nfs/dbraw/zinc/14/82/38/916148238.db2.gz YQLKTUFYQZJCQF-ROUUACIJSA-N 2 1 398.576 3.536 20 0 GHADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000293505056 916235493 /nfs/dbraw/zinc/23/54/93/916235493.db2.gz AEUDJFJSKWTIGX-IBGZPJMESA-N 2 1 398.547 3.603 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cs1 ZINC000775388232 917347194 /nfs/dbraw/zinc/34/71/94/917347194.db2.gz QDBBLUBIKICMDB-ZIFCJYIRSA-N 2 1 397.679 3.887 20 0 GHADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1Cc1cc(Cl)cc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000295713139 917441491 /nfs/dbraw/zinc/44/14/91/917441491.db2.gz KITDNVYNHWPYCE-LGWNTQATSA-N 2 1 394.987 3.807 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000651192836 917502967 /nfs/dbraw/zinc/50/29/67/917502967.db2.gz CVCRCXUACOJQTM-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651192836 917502970 /nfs/dbraw/zinc/50/29/70/917502970.db2.gz CVCRCXUACOJQTM-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000651192836 917502975 /nfs/dbraw/zinc/50/29/75/917502975.db2.gz CVCRCXUACOJQTM-IFMALSPDSA-N 2 1 388.600 3.659 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000652125409 917809768 /nfs/dbraw/zinc/80/97/68/917809768.db2.gz RSWKSKWCIWQKPO-IBGZPJMESA-N 2 1 394.563 3.637 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)Nc1cccc(F)c1 ZINC000652337526 917875746 /nfs/dbraw/zinc/87/57/46/917875746.db2.gz RIGYNURCDUXONZ-SFHVURJKSA-N 2 1 396.510 3.505 20 0 GHADMP COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)c1OC ZINC000652354839 917879202 /nfs/dbraw/zinc/87/92/02/917879202.db2.gz JQNHMAWJJBUPDD-PBHICJAKSA-N 2 1 375.538 3.777 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cs2)c1OC ZINC000652354839 917879210 /nfs/dbraw/zinc/87/92/10/917879210.db2.gz JQNHMAWJJBUPDD-PBHICJAKSA-N 2 1 375.538 3.777 20 0 GHADMP CC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000297421508 919317482 /nfs/dbraw/zinc/31/74/82/919317482.db2.gz HFZNXWUZJWSACE-DEOSSOPVSA-N 2 1 380.532 3.767 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000800506136 920209072 /nfs/dbraw/zinc/20/90/72/920209072.db2.gz MAMZULMLGRJOJB-AUJBNRGBSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)/C=C/c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000800506136 920209088 /nfs/dbraw/zinc/20/90/88/920209088.db2.gz MAMZULMLGRJOJB-AUJBNRGBSA-N 2 1 391.559 3.849 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000367280555 922015103 /nfs/dbraw/zinc/01/51/03/922015103.db2.gz LQNBMUADMMHFLY-XMMPIXPASA-N 2 1 397.607 3.835 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000802643323 922287462 /nfs/dbraw/zinc/28/74/62/922287462.db2.gz OAMFRQFLVXJNDW-OAHLLOKOSA-N 2 1 386.931 3.523 20 0 GHADMP O=C1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCN1c1ccccc1C(F)(F)F ZINC000903153564 922813740 /nfs/dbraw/zinc/81/37/40/922813740.db2.gz SSGUNGHLYCLMPY-NPVYPNSJSA-N 2 1 393.453 3.558 20 0 GHADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(Cl)c3Br)CC2)C1 ZINC000903459086 923038445 /nfs/dbraw/zinc/03/84/45/923038445.db2.gz ATQJXZISDZBPRX-GOEBONIOSA-N 2 1 387.749 3.821 20 0 GHADMP Clc1ccc(SC2CC[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000903896356 923377172 /nfs/dbraw/zinc/37/71/72/923377172.db2.gz BYLOGLPWHSQRTO-MRXNPFEDSA-N 2 1 391.972 3.613 20 0 GHADMP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919481 923399301 /nfs/dbraw/zinc/39/93/01/923399301.db2.gz CUKWNVQHKNPAHG-VQIMIIECSA-N 2 1 391.947 3.742 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)o1 ZINC000903955979 923434701 /nfs/dbraw/zinc/43/47/01/923434701.db2.gz DLXQSOLIFFEFEB-QGZVFWFLSA-N 2 1 386.446 3.775 20 0 GHADMP c1cc(C[N@@H+]2CCOC3(CC[NH+](Cc4cnc5ccccc5c4)CC3)C2)co1 ZINC001137279400 924207349 /nfs/dbraw/zinc/20/73/49/924207349.db2.gz NFXRVDVVECAQFP-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP c1cc(C[N@H+]2CCOC3(CC[NH+](Cc4cnc5ccccc5c4)CC3)C2)co1 ZINC001137279400 924207363 /nfs/dbraw/zinc/20/73/63/924207363.db2.gz NFXRVDVVECAQFP-UHFFFAOYSA-N 2 1 377.488 3.695 20 0 GHADMP C[NH+](C)CCOc1cccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000677199555 924281515 /nfs/dbraw/zinc/28/15/15/924281515.db2.gz XZMLEOXEEKRKRF-UHFFFAOYSA-N 2 1 398.551 3.659 20 0 GHADMP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000678672760 924880889 /nfs/dbraw/zinc/88/08/89/924880889.db2.gz CRXBNNZMIYKLBC-OAQYLSRUSA-N 2 1 380.621 3.650 20 0 GHADMP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000679333912 925098350 /nfs/dbraw/zinc/09/83/50/925098350.db2.gz WEWXFFVNQXCEQV-ATZDWAIDSA-N 2 1 381.358 3.991 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000679836041 925279783 /nfs/dbraw/zinc/27/97/83/925279783.db2.gz VJXZFXXLKGVCCY-YADARESESA-N 2 1 383.580 3.588 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679994646 925326583 /nfs/dbraw/zinc/32/65/83/925326583.db2.gz LXKMNPBWFUGJTQ-DFPKUZHUSA-N 2 1 393.934 3.746 20 0 GHADMP CC(C)N1C(=O)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000679994646 925326599 /nfs/dbraw/zinc/32/65/99/925326599.db2.gz LXKMNPBWFUGJTQ-DFPKUZHUSA-N 2 1 393.934 3.746 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1ccccc1 ZINC000680040467 925338385 /nfs/dbraw/zinc/33/83/85/925338385.db2.gz ZOOBUJFHEVHMSE-VOFXCDAESA-N 2 1 377.532 3.904 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)Nc1ccccc1 ZINC000680040467 925338392 /nfs/dbraw/zinc/33/83/92/925338392.db2.gz ZOOBUJFHEVHMSE-VOFXCDAESA-N 2 1 377.532 3.904 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CCC(C)CC1 ZINC000680038434 925338568 /nfs/dbraw/zinc/33/85/68/925338568.db2.gz MMMSMTUBERDCFE-XXTHSBEZSA-N 2 1 383.580 3.524 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000680269077 925416101 /nfs/dbraw/zinc/41/61/01/925416101.db2.gz KLIMYEPURXSECB-KEZOAJOQSA-N 2 1 391.559 3.706 20 0 GHADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000680269077 925416107 /nfs/dbraw/zinc/41/61/07/925416107.db2.gz KLIMYEPURXSECB-KEZOAJOQSA-N 2 1 391.559 3.706 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000410367906 925589649 /nfs/dbraw/zinc/58/96/49/925589649.db2.gz OVVCTDFOXUDGCD-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000410367906 925589656 /nfs/dbraw/zinc/58/96/56/925589656.db2.gz OVVCTDFOXUDGCD-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000410367906 925589662 /nfs/dbraw/zinc/58/96/62/925589662.db2.gz OVVCTDFOXUDGCD-VQTJNVASSA-N 2 1 386.584 3.735 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)cc1 ZINC000543813651 925832951 /nfs/dbraw/zinc/83/29/51/925832951.db2.gz HDUPOHKKDWCQLM-GCJKJVERSA-N 2 1 379.504 3.888 20 0 GHADMP COc1cc(OC)c(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c(OC)c1 ZINC000682026903 925984385 /nfs/dbraw/zinc/98/43/85/925984385.db2.gz CXPBAUXSWCYMOF-UHFFFAOYSA-N 2 1 376.541 3.768 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000682841109 926266447 /nfs/dbraw/zinc/26/64/47/926266447.db2.gz GKACXHJEKVBXQN-WCIQWLHISA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000682841109 926266453 /nfs/dbraw/zinc/26/64/53/926266453.db2.gz GKACXHJEKVBXQN-WCIQWLHISA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000682841109 926266460 /nfs/dbraw/zinc/26/64/60/926266460.db2.gz GKACXHJEKVBXQN-WCIQWLHISA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@H]3C2)[nH+]1 ZINC000682841109 926266467 /nfs/dbraw/zinc/26/64/67/926266467.db2.gz GKACXHJEKVBXQN-WCIQWLHISA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@H]3C2)[nH+]1 ZINC000682841109 926266473 /nfs/dbraw/zinc/26/64/73/926266473.db2.gz GKACXHJEKVBXQN-WCIQWLHISA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000682841109 926266480 /nfs/dbraw/zinc/26/64/80/926266480.db2.gz GKACXHJEKVBXQN-WCIQWLHISA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000682841109 926266495 /nfs/dbraw/zinc/26/64/95/926266495.db2.gz GKACXHJEKVBXQN-WCIQWLHISA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000682841111 926266826 /nfs/dbraw/zinc/26/68/26/926266826.db2.gz GKACXHJEKVBXQN-WTGUMLROSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000682841111 926266833 /nfs/dbraw/zinc/26/68/33/926266833.db2.gz GKACXHJEKVBXQN-WTGUMLROSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000682841111 926266844 /nfs/dbraw/zinc/26/68/44/926266844.db2.gz GKACXHJEKVBXQN-WTGUMLROSA-N 2 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)[nH+]1 ZINC000682841111 926266851 /nfs/dbraw/zinc/26/68/51/926266851.db2.gz GKACXHJEKVBXQN-WTGUMLROSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)[nH+]1 ZINC000682841111 926266858 /nfs/dbraw/zinc/26/68/58/926266858.db2.gz GKACXHJEKVBXQN-WTGUMLROSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000682841111 926266868 /nfs/dbraw/zinc/26/68/68/926266868.db2.gz GKACXHJEKVBXQN-WTGUMLROSA-N 3 1 398.599 3.677 20 0 GHADMP CC(C)c1cc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000682841111 926266879 /nfs/dbraw/zinc/26/68/79/926266879.db2.gz GKACXHJEKVBXQN-WTGUMLROSA-N 3 1 398.599 3.677 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411395767 926351363 /nfs/dbraw/zinc/35/13/63/926351363.db2.gz DRYKKQHUVCRGKM-UHFFFAOYSA-N 2 1 390.531 3.809 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000411395767 926351374 /nfs/dbraw/zinc/35/13/74/926351374.db2.gz DRYKKQHUVCRGKM-UHFFFAOYSA-N 2 1 390.531 3.809 20 0 GHADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000383314205 926357208 /nfs/dbraw/zinc/35/72/08/926357208.db2.gz ARUBZYSUDRUGTC-FQEVSTJZSA-N 2 1 389.337 3.737 20 0 GHADMP CCCCNC(=O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411392357 926358642 /nfs/dbraw/zinc/35/86/42/926358642.db2.gz CLVWKUQFKDUOIC-UHFFFAOYSA-N 2 1 399.501 3.908 20 0 GHADMP CCCCNC(=O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000411392357 926358646 /nfs/dbraw/zinc/35/86/46/926358646.db2.gz CLVWKUQFKDUOIC-UHFFFAOYSA-N 2 1 399.501 3.908 20 0 GHADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000390720896 926396711 /nfs/dbraw/zinc/39/67/11/926396711.db2.gz NPWYDZJDMHOZNK-HSZRJFAPSA-N 2 1 387.568 3.888 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)CCC3CCCCC3)cc2)CC1 ZINC000725812763 926454113 /nfs/dbraw/zinc/45/41/13/926454113.db2.gz VMVWYNUSMXXMHW-UHFFFAOYSA-N 2 1 386.584 3.669 20 0 GHADMP COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cl ZINC000411512029 926470316 /nfs/dbraw/zinc/47/03/16/926470316.db2.gz ADNJCTSKZLCDPL-CVEARBPZSA-N 2 1 393.959 3.920 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000398034204 926485960 /nfs/dbraw/zinc/48/59/60/926485960.db2.gz MKEMQCBVOKGAPY-HKUYNNGSSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000398034204 926485963 /nfs/dbraw/zinc/48/59/63/926485963.db2.gz MKEMQCBVOKGAPY-HKUYNNGSSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000398222365 926486883 /nfs/dbraw/zinc/48/68/83/926486883.db2.gz WNNMTJVJBSEQEK-NRSPTQNISA-N 2 1 387.568 3.886 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411788224 926773045 /nfs/dbraw/zinc/77/30/45/926773045.db2.gz GJCVSYSXXWCPSS-FGTMMUONSA-N 2 1 375.582 3.744 20 0 GHADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000411874611 926864153 /nfs/dbraw/zinc/86/41/53/926864153.db2.gz OHERIGVCUGLFIM-OAQYLSRUSA-N 2 1 385.577 3.808 20 0 GHADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)C[C@H](C)O1 ZINC000374268166 926956835 /nfs/dbraw/zinc/95/68/35/926956835.db2.gz JKQMVXFPRYZSSC-QKLQHJQFSA-N 2 1 393.597 3.706 20 0 GHADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)C[C@H](C)O1 ZINC000374268166 926956845 /nfs/dbraw/zinc/95/68/45/926956845.db2.gz JKQMVXFPRYZSSC-QKLQHJQFSA-N 2 1 393.597 3.706 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc4c(c3)CCC(C)(C)O4)CC2)nc(C)[nH+]1 ZINC000749835896 927305471 /nfs/dbraw/zinc/30/54/71/927305471.db2.gz LHMSFVNGNPHLEZ-UHFFFAOYSA-N 2 1 380.536 3.956 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)CC1 ZINC000375232540 928070483 /nfs/dbraw/zinc/07/04/83/928070483.db2.gz BWAZMUMLNHRZEL-UHFFFAOYSA-N 2 1 390.622 3.721 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000751352354 928149493 /nfs/dbraw/zinc/14/94/93/928149493.db2.gz OXRTWKQQSCGKSF-UHFFFAOYSA-N 2 1 391.519 3.738 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000751352354 928149513 /nfs/dbraw/zinc/14/95/13/928149513.db2.gz OXRTWKQQSCGKSF-UHFFFAOYSA-N 2 1 391.519 3.738 20 0 GHADMP COc1ccc([C@H](CNC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000466912262 928498655 /nfs/dbraw/zinc/49/86/55/928498655.db2.gz HFBQVADPDNEGTD-JQVVWYNYSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000467338128 928973944 /nfs/dbraw/zinc/97/39/44/928973944.db2.gz IFBVYBSSFZHQCN-BJKOFHAPSA-N 2 1 392.591 3.953 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000467516496 929149016 /nfs/dbraw/zinc/14/90/16/929149016.db2.gz LLFJZLPBISNGDO-UHFFFAOYSA-N 2 1 389.547 3.911 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000467516496 929149022 /nfs/dbraw/zinc/14/90/22/929149022.db2.gz LLFJZLPBISNGDO-UHFFFAOYSA-N 2 1 389.547 3.911 20 0 GHADMP c1ccc([C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2cncnc2)cc1 ZINC000544568518 929295090 /nfs/dbraw/zinc/29/50/90/929295090.db2.gz JGMRGJKCHQLTRR-XMMPIXPASA-N 2 1 388.515 3.830 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](CC4CCC5(CC4)OCCO5)CC[C@@H]32)cc1 ZINC000753737026 929508566 /nfs/dbraw/zinc/50/85/66/929508566.db2.gz BFFGZPLWDOXSDN-GOTSBHOMSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@@H]32)cc1 ZINC000753737026 929508574 /nfs/dbraw/zinc/50/85/74/929508574.db2.gz BFFGZPLWDOXSDN-GOTSBHOMSA-N 2 1 384.564 3.906 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](CC4CCC5(CC4)OCCO5)CC[C@@H]32)cc1 ZINC000753737026 929508582 /nfs/dbraw/zinc/50/85/82/929508582.db2.gz BFFGZPLWDOXSDN-GOTSBHOMSA-N 2 1 384.564 3.906 20 0 GHADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccnn1-c1ccccc1 ZINC000545980859 929743141 /nfs/dbraw/zinc/74/31/41/929743141.db2.gz LMTXDKXSHZHULH-WIYYLYMNSA-N 2 1 395.576 3.573 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000757727334 929784426 /nfs/dbraw/zinc/78/44/26/929784426.db2.gz HBGIOOVEZHVOJT-DNJQPREOSA-N 2 1 398.595 3.746 20 0 GHADMP C[C@H](NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000469757718 930139427 /nfs/dbraw/zinc/13/94/27/930139427.db2.gz NPCOIZSNVVNMQR-FHWLQOOXSA-N 2 1 397.538 3.749 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000469844359 930200766 /nfs/dbraw/zinc/20/07/66/930200766.db2.gz YVWJKLGFAMXVBA-QDSKXPNFSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000469844359 930200768 /nfs/dbraw/zinc/20/07/68/930200768.db2.gz YVWJKLGFAMXVBA-QDSKXPNFSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000469844359 930200777 /nfs/dbraw/zinc/20/07/77/930200777.db2.gz YVWJKLGFAMXVBA-QDSKXPNFSA-N 2 1 391.559 3.772 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000469844359 930200784 /nfs/dbraw/zinc/20/07/84/930200784.db2.gz YVWJKLGFAMXVBA-QDSKXPNFSA-N 2 1 391.559 3.772 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C[C@H]1C ZINC000470295027 930514708 /nfs/dbraw/zinc/51/47/08/930514708.db2.gz CECNEBVPFQQXHK-BAGYTPMASA-N 2 1 388.600 3.657 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C[C@H]1C ZINC000470295027 930514713 /nfs/dbraw/zinc/51/47/13/930514713.db2.gz CECNEBVPFQQXHK-BAGYTPMASA-N 2 1 388.600 3.657 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C[C@H]1C ZINC000470295027 930514722 /nfs/dbraw/zinc/51/47/22/930514722.db2.gz CECNEBVPFQQXHK-BAGYTPMASA-N 2 1 388.600 3.657 20 0 GHADMP Cn1nc(Br)cc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000691571609 930784004 /nfs/dbraw/zinc/78/40/04/930784004.db2.gz JOZWDHGZQNQCHR-QGZVFWFLSA-N 2 1 391.357 3.575 20 0 GHADMP Cn1nc(Br)cc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000691571609 930784011 /nfs/dbraw/zinc/78/40/11/930784011.db2.gz JOZWDHGZQNQCHR-QGZVFWFLSA-N 2 1 391.357 3.575 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1F ZINC000781421094 930837187 /nfs/dbraw/zinc/83/71/87/930837187.db2.gz OFFMFEJMTDBVTN-VZGVRVRRSA-N 2 1 386.486 3.889 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000781421820 930837829 /nfs/dbraw/zinc/83/78/29/930837829.db2.gz LQKFYWRFXVSZTR-FDFHNCONSA-N 2 1 399.579 3.744 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2cccnc2)c2cc(C)cc(C)c2)CC1 ZINC000924659375 931466209 /nfs/dbraw/zinc/46/62/09/931466209.db2.gz KPIDNOHAUGJNGM-XMMPIXPASA-N 2 1 380.580 3.795 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc(Br)n1 ZINC000924860935 931565080 /nfs/dbraw/zinc/56/50/80/931565080.db2.gz HBYTZXYVXIQFDN-AWEZNQCLSA-N 2 1 378.314 3.635 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)cc1)C(C)C ZINC000557714253 931626944 /nfs/dbraw/zinc/62/69/44/931626944.db2.gz KGDOJHQAAHVOLV-UHFFFAOYSA-N 2 1 377.492 3.809 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CCC[NH3+])c3ccccc3)CC2)cs1 ZINC000925575100 931827712 /nfs/dbraw/zinc/82/77/12/931827712.db2.gz UXRBPQYIAZZGOJ-OAQYLSRUSA-N 3 1 386.609 3.987 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000796692178 932031517 /nfs/dbraw/zinc/03/15/17/932031517.db2.gz AFVVWHWWGXNQDU-FYQPLNBISA-N 2 1 397.604 3.549 20 0 GHADMP O=C(Nc1cccc(C(F)F)c1Cl)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926093396 932039803 /nfs/dbraw/zinc/03/98/03/932039803.db2.gz QQWFMFQIOMDRPF-OKILXGFUSA-N 2 1 398.885 3.710 20 0 GHADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000558567523 932078957 /nfs/dbraw/zinc/07/89/57/932078957.db2.gz VSBUOIIQMMEOOO-BKHFDQEPSA-N 2 1 393.522 3.792 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000797023970 932150664 /nfs/dbraw/zinc/15/06/64/932150664.db2.gz WWLVJXUMCRXFTP-ZVDOUQERSA-N 2 1 385.552 3.737 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000797023964 932150723 /nfs/dbraw/zinc/15/07/23/932150723.db2.gz WWLVJXUMCRXFTP-DYXWJJEUSA-N 2 1 385.552 3.737 20 0 GHADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000558732021 932198995 /nfs/dbraw/zinc/19/89/95/932198995.db2.gz NFRXDRCWSGLMGE-HSZRJFAPSA-N 2 1 382.548 3.606 20 0 GHADMP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000926768074 932298204 /nfs/dbraw/zinc/29/82/04/932298204.db2.gz HIGCQDCYTWHZBE-NEKRIBJYSA-N 2 1 380.536 3.835 20 0 GHADMP c1n[nH]cc1[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000926768074 932298208 /nfs/dbraw/zinc/29/82/08/932298208.db2.gz HIGCQDCYTWHZBE-NEKRIBJYSA-N 2 1 380.536 3.835 20 0 GHADMP CCC[NH+]1CCC([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2OC)CC1 ZINC000798270328 932585092 /nfs/dbraw/zinc/58/50/92/932585092.db2.gz NECWCSKYJKLLBH-LJQANCHMSA-N 2 1 391.556 3.725 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000798525891 932689310 /nfs/dbraw/zinc/68/93/10/932689310.db2.gz HXLRPOATQROBLW-HSZRJFAPSA-N 2 1 383.536 3.763 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000798936083 932824150 /nfs/dbraw/zinc/82/41/50/932824150.db2.gz XJHFNESKWLOOQX-DQEYMECFSA-N 2 1 391.559 3.982 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000559895564 932929669 /nfs/dbraw/zinc/92/96/69/932929669.db2.gz WWDNOHGESWTDPE-QHCPKHFHSA-N 2 1 379.548 3.697 20 0 GHADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000799341223 932958151 /nfs/dbraw/zinc/95/81/51/932958151.db2.gz RSUOWMVVLUAGCG-CGTJXYLNSA-N 2 1 378.442 3.819 20 0 GHADMP FC(F)(F)c1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000799341223 932958163 /nfs/dbraw/zinc/95/81/63/932958163.db2.gz RSUOWMVVLUAGCG-CGTJXYLNSA-N 2 1 378.442 3.819 20 0 GHADMP CCNC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000560543479 933329227 /nfs/dbraw/zinc/32/92/27/933329227.db2.gz IHFMDGGUBGZRHJ-BHDDXSALSA-N 2 1 383.580 3.573 20 0 GHADMP CCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560822965 933589558 /nfs/dbraw/zinc/58/95/58/933589558.db2.gz KGSJZVFHLJYLAJ-JOCHJYFZSA-N 2 1 381.520 3.924 20 0 GHADMP CCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560822965 933589566 /nfs/dbraw/zinc/58/95/66/933589566.db2.gz KGSJZVFHLJYLAJ-JOCHJYFZSA-N 2 1 381.520 3.924 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3cccc4c3CC[NH2+]C4)cc2)C1 ZINC000561045463 933813806 /nfs/dbraw/zinc/81/38/06/933813806.db2.gz LVCQAEJNRUWITA-GOSISDBHSA-N 2 1 392.547 3.886 20 0 GHADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561338916 934064499 /nfs/dbraw/zinc/06/44/99/934064499.db2.gz PGLJCWVUFIZMQW-NRFANRHFSA-N 2 1 397.588 3.598 20 0 GHADMP CCCN(C(=O)c1csc([C@@H](C)[NH3+])n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001122377302 934858876 /nfs/dbraw/zinc/85/88/76/934858876.db2.gz MOYOVTLDOMFJFV-MRXNPFEDSA-N 2 1 386.565 3.680 20 0 GHADMP Cc1ccc(Cl)cc1-c1noc([C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910525 1014572356 /nfs/dbraw/zinc/57/23/56/1014572356.db2.gz FPSYRPNCXRMLHR-LJQANCHMSA-N 2 1 394.906 3.887 20 0 GHADMP Cc1ccc(Cl)cc1-c1noc([C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)n1 ZINC001211910525 1014572365 /nfs/dbraw/zinc/57/23/65/1014572365.db2.gz FPSYRPNCXRMLHR-LJQANCHMSA-N 2 1 394.906 3.887 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001220751204 1032099345 /nfs/dbraw/zinc/09/93/45/1032099345.db2.gz JRPOSHDQFOPWNB-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001220751204 1032099361 /nfs/dbraw/zinc/09/93/61/1032099361.db2.gz JRPOSHDQFOPWNB-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP CCCCC[NH+](CCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC001220751204 1032099375 /nfs/dbraw/zinc/09/93/75/1032099375.db2.gz JRPOSHDQFOPWNB-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468114293 1015282893 /nfs/dbraw/zinc/28/28/93/1015282893.db2.gz XJENVTZHQOCCSH-FGCOXFRFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000468114293 1015282903 /nfs/dbraw/zinc/28/29/03/1015282903.db2.gz XJENVTZHQOCCSH-FGCOXFRFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000468114293 1015282914 /nfs/dbraw/zinc/28/29/14/1015282914.db2.gz XJENVTZHQOCCSH-FGCOXFRFSA-N 2 1 391.559 3.993 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000468114293 1015282921 /nfs/dbraw/zinc/28/29/21/1015282921.db2.gz XJENVTZHQOCCSH-FGCOXFRFSA-N 2 1 391.559 3.993 20 0 GHADMP [NH3+][C@@]12CC[C@@](NC(=O)c3cccc4c3C[N@H+](Cc3ccccc3)C4)(C1)CCC2 ZINC001220786068 1032120779 /nfs/dbraw/zinc/12/07/79/1032120779.db2.gz LJZXGFLORFWODK-BJKOFHAPSA-N 2 1 375.516 3.736 20 0 GHADMP [NH3+][C@@]12CC[C@@](NC(=O)c3cccc4c3C[N@@H+](Cc3ccccc3)C4)(C1)CCC2 ZINC001220786068 1032120797 /nfs/dbraw/zinc/12/07/97/1032120797.db2.gz LJZXGFLORFWODK-BJKOFHAPSA-N 2 1 375.516 3.736 20 0 GHADMP C[NH+](C)C1(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCCC1 ZINC000468401621 1015669434 /nfs/dbraw/zinc/66/94/34/1015669434.db2.gz DRYSSPMMCPUWFM-UHFFFAOYSA-N 2 1 379.548 3.679 20 0 GHADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468402352 1015671182 /nfs/dbraw/zinc/67/11/82/1015671182.db2.gz PDNQFZZLASYFFZ-OAQYLSRUSA-N 2 1 384.568 3.721 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468402352 1015671188 /nfs/dbraw/zinc/67/11/88/1015671188.db2.gz PDNQFZZLASYFFZ-OAQYLSRUSA-N 2 1 384.568 3.721 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468402352 1015671190 /nfs/dbraw/zinc/67/11/90/1015671190.db2.gz PDNQFZZLASYFFZ-OAQYLSRUSA-N 2 1 384.568 3.721 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468402352 1015671194 /nfs/dbraw/zinc/67/11/94/1015671194.db2.gz PDNQFZZLASYFFZ-OAQYLSRUSA-N 2 1 384.568 3.721 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000468419294 1015689716 /nfs/dbraw/zinc/68/97/16/1015689716.db2.gz UHDIWOWBGPOBKQ-FQEVSTJZSA-N 2 1 388.600 3.934 20 0 GHADMP Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000468427742 1015697372 /nfs/dbraw/zinc/69/73/72/1015697372.db2.gz IABZEUFRXVINGP-HYBUGGRVSA-N 2 1 393.575 3.803 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000545349546 1015798100 /nfs/dbraw/zinc/79/81/00/1015798100.db2.gz PXRBDORCLPYPNZ-UHFFFAOYSA-N 2 1 383.536 3.881 20 0 GHADMP C[NH+](C)Cc1cccc(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1 ZINC000468579114 1015819423 /nfs/dbraw/zinc/81/94/23/1015819423.db2.gz QGPXCKYWIQVZHM-HSZRJFAPSA-N 2 1 393.575 3.951 20 0 GHADMP c1cc(C[NH+]2CCOCC3(CCC3)C2)cc(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000545396927 1015839674 /nfs/dbraw/zinc/83/96/74/1015839674.db2.gz BIORQEKSYHNMMD-UHFFFAOYSA-N 2 1 384.564 3.692 20 0 GHADMP CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545560078 1016033656 /nfs/dbraw/zinc/03/36/56/1016033656.db2.gz RNIKKEIRNBIAAU-QHCPKHFHSA-N 2 1 375.520 3.672 20 0 GHADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470753122 1016882507 /nfs/dbraw/zinc/88/25/07/1016882507.db2.gz CZGUYYSNHAXTGO-XZOQPEGZSA-N 2 1 394.563 3.595 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001220877145 1032166183 /nfs/dbraw/zinc/16/61/83/1032166183.db2.gz PJXKJOVMACZSBM-UFYCRDLUSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001220877145 1032166189 /nfs/dbraw/zinc/16/61/89/1032166189.db2.gz PJXKJOVMACZSBM-UFYCRDLUSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC001220877145 1032166195 /nfs/dbraw/zinc/16/61/95/1032166195.db2.gz PJXKJOVMACZSBM-UFYCRDLUSA-N 2 1 386.584 3.685 20 0 GHADMP O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@H]1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001220917345 1032188128 /nfs/dbraw/zinc/18/81/28/1032188128.db2.gz WUUDFKGALASSMD-UNMCSNQZSA-N 2 1 395.591 3.566 20 0 GHADMP [NH3+][C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220919137 1032189582 /nfs/dbraw/zinc/18/95/82/1032189582.db2.gz VKOLMLRDHCJOAT-VWNXMTODSA-N 2 1 391.559 3.747 20 0 GHADMP Cc1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)c1 ZINC001221010847 1032235377 /nfs/dbraw/zinc/23/53/77/1032235377.db2.gz RQMQWFOETJQIND-XZOQPEGZSA-N 2 1 393.575 3.590 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H](Nc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001154988151 1032369112 /nfs/dbraw/zinc/36/91/12/1032369112.db2.gz PODAZHAHMONCTM-HUUCEWRRSA-N 2 1 385.581 3.848 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@]3(F)CCCC[NH2+]C3)c2c1C ZINC001155117117 1032421383 /nfs/dbraw/zinc/42/13/83/1032421383.db2.gz CXWGXMGCDWAQOA-FQEVSTJZSA-N 2 1 391.560 3.798 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001221461928 1032425026 /nfs/dbraw/zinc/42/50/26/1032425026.db2.gz CSTZHAIMZYJHFE-BGYRXZFFSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC001221472547 1032430062 /nfs/dbraw/zinc/43/00/62/1032430062.db2.gz NZQQVVFHQUEGHL-WSATVANYSA-N 2 1 384.568 3.528 20 0 GHADMP C[N@H+]1CCCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001221509111 1032441652 /nfs/dbraw/zinc/44/16/52/1032441652.db2.gz UKOVDPMLXONIJS-QFIPXVFZSA-N 2 1 386.584 3.594 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)c1 ZINC001221604083 1032478189 /nfs/dbraw/zinc/47/81/89/1032478189.db2.gz LDKKEGVHRCELQK-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c1 ZINC001221604083 1032478197 /nfs/dbraw/zinc/47/81/97/1032478197.db2.gz LDKKEGVHRCELQK-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001221604083 1032478199 /nfs/dbraw/zinc/47/81/99/1032478199.db2.gz LDKKEGVHRCELQK-QFIPXVFZSA-N 2 1 386.584 3.735 20 0 GHADMP CSc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155361426 1032518982 /nfs/dbraw/zinc/51/89/82/1032518982.db2.gz MDBPOVJMSNTOPL-IBGZPJMESA-N 2 1 382.577 3.717 20 0 GHADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)nc2[nH]ccc21 ZINC001155362138 1032519136 /nfs/dbraw/zinc/51/91/36/1032519136.db2.gz DOLJGWKFVKVQFG-HXUWFJFHSA-N 2 1 389.547 3.785 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001204272167 1032715663 /nfs/dbraw/zinc/71/56/63/1032715663.db2.gz YFBNMDMGLZMGFL-NOZRDPDXSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001204272167 1032715672 /nfs/dbraw/zinc/71/56/72/1032715672.db2.gz YFBNMDMGLZMGFL-NOZRDPDXSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 ZINC001204272167 1032715690 /nfs/dbraw/zinc/71/56/90/1032715690.db2.gz YFBNMDMGLZMGFL-NOZRDPDXSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000929805030 1017742697 /nfs/dbraw/zinc/74/26/97/1017742697.db2.gz ABDIUVPAFBSIRP-ZBCONREDSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000929805030 1017742704 /nfs/dbraw/zinc/74/27/04/1017742704.db2.gz ABDIUVPAFBSIRP-ZBCONREDSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CC[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000929805030 1017742707 /nfs/dbraw/zinc/74/27/07/1017742707.db2.gz ABDIUVPAFBSIRP-ZBCONREDSA-N 2 1 396.575 3.846 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CC[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000929805030 1017742711 /nfs/dbraw/zinc/74/27/11/1017742711.db2.gz ABDIUVPAFBSIRP-ZBCONREDSA-N 2 1 396.575 3.846 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Br)cc4c3OCC4)C2)CC1 ZINC000798956618 1018460161 /nfs/dbraw/zinc/46/01/61/1018460161.db2.gz GQIMPHJUZLOQHT-UHFFFAOYSA-N 2 1 379.342 3.692 20 0 GHADMP CCOC[C@H]1CCCC[NH+]1Cc1cncc(C[N@@H+]2CCCC[C@@H]2COCC)c1 ZINC000562685125 1018533579 /nfs/dbraw/zinc/53/35/79/1018533579.db2.gz XAUHRBLTCQPESS-DHIUTWEWSA-N 2 1 389.584 3.864 20 0 GHADMP Cc1nc(NC2CC[NH+](C3CCC3)CC2)cc(NC2CC[NH+](C3CCC3)CC2)n1 ZINC000562705471 1018554458 /nfs/dbraw/zinc/55/44/58/1018554458.db2.gz BFXOWSVCZAKDCV-UHFFFAOYSA-N 2 1 398.599 3.643 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001228120887 1032795909 /nfs/dbraw/zinc/79/59/09/1032795909.db2.gz XMOLPLDNJMHOTB-XZOQPEGZSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001228120887 1032795919 /nfs/dbraw/zinc/79/59/19/1032795919.db2.gz XMOLPLDNJMHOTB-XZOQPEGZSA-N 2 1 398.595 3.747 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001228120887 1032795926 /nfs/dbraw/zinc/79/59/26/1032795926.db2.gz XMOLPLDNJMHOTB-XZOQPEGZSA-N 2 1 398.595 3.747 20 0 GHADMP Cc1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000568260770 1019387097 /nfs/dbraw/zinc/38/70/97/1019387097.db2.gz BAUQQPBJXHNQRU-QGZVFWFLSA-N 2 1 394.519 3.691 20 0 GHADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)c1ccco1 ZINC001228191860 1032832565 /nfs/dbraw/zinc/83/25/65/1032832565.db2.gz SNGVACBUSAUCOF-JBACZVJFSA-N 2 1 398.551 3.591 20 0 GHADMP Fc1ccc(OCc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1 ZINC000571921508 1019726992 /nfs/dbraw/zinc/72/69/92/1019726992.db2.gz WYFBAPDIEDPRLF-HZPDHXFCSA-N 2 1 375.513 3.683 20 0 GHADMP CC(C)[N@@H+](CCCc1cncn1C)C[C@H](O)COc1cccc2ccccc21 ZINC000576169620 1019987099 /nfs/dbraw/zinc/98/70/99/1019987099.db2.gz MUDDTOSPZIIAJI-NRFANRHFSA-N 2 1 381.520 3.656 20 0 GHADMP CC(C)[N@H+](CCCc1c[nH+]cn1C)C[C@H](O)COc1cccc2ccccc21 ZINC000576169620 1019987100 /nfs/dbraw/zinc/98/71/00/1019987100.db2.gz MUDDTOSPZIIAJI-NRFANRHFSA-N 2 1 381.520 3.656 20 0 GHADMP CC(C)[N@@H+](CCCc1c[nH+]cn1C)C[C@H](O)COc1cccc2ccccc21 ZINC000576169620 1019987102 /nfs/dbraw/zinc/98/71/02/1019987102.db2.gz MUDDTOSPZIIAJI-NRFANRHFSA-N 2 1 381.520 3.656 20 0 GHADMP O[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCc2ccccc21 ZINC000779439869 1020791733 /nfs/dbraw/zinc/79/17/33/1020791733.db2.gz YVVNJWSKWYBOAE-AANQFLQQSA-N 2 1 376.544 3.996 20 0 GHADMP Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)c1F ZINC000631660091 1020896183 /nfs/dbraw/zinc/89/61/83/1020896183.db2.gz UHJQOFSKGDLNBN-UHFFFAOYSA-N 2 1 393.522 3.542 20 0 GHADMP Fc1ccc(Br)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001204538547 1032957950 /nfs/dbraw/zinc/95/79/50/1032957950.db2.gz VWNFKMQGKKFXGK-UHFFFAOYSA-N 2 1 399.348 3.913 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)C1CCCCC1 ZINC000652237294 1021215856 /nfs/dbraw/zinc/21/58/56/1021215856.db2.gz KHNJAZAPCRHEHY-QGZVFWFLSA-N 2 1 381.586 3.753 20 0 GHADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)C1CCCCC1 ZINC000652237286 1021216451 /nfs/dbraw/zinc/21/64/51/1021216451.db2.gz KFKKWCTZFKSYCG-KRWDZBQOSA-N 2 1 396.597 3.794 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)C1CCCCC1 ZINC000652237286 1021216462 /nfs/dbraw/zinc/21/64/62/1021216462.db2.gz KFKKWCTZFKSYCG-KRWDZBQOSA-N 2 1 396.597 3.794 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000834588646 1021287332 /nfs/dbraw/zinc/28/73/32/1021287332.db2.gz DLKDLMCOIOKEKM-FUMNGEBKSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1ccc2n[nH]c(C[NH+]3CCC4(C[C@H]([N@@H+](C)Cc5ccco5)CO4)CC3)c2c1 ZINC001140326895 1021409380 /nfs/dbraw/zinc/40/93/80/1021409380.db2.gz GHBVLOHJNCDRDX-SFHVURJKSA-N 2 1 394.519 3.720 20 0 GHADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(C[C@H]([N@H+](C)Cc5ccco5)CO4)CC3)c2c1 ZINC001140326895 1021409384 /nfs/dbraw/zinc/40/93/84/1021409384.db2.gz GHBVLOHJNCDRDX-SFHVURJKSA-N 2 1 394.519 3.720 20 0 GHADMP Cc1ccc2[nH]nc(C[NH+]3CCC4(C[C@H]([N@@H+](C)Cc5ccco5)CO4)CC3)c2c1 ZINC001140326895 1021409386 /nfs/dbraw/zinc/40/93/86/1021409386.db2.gz GHBVLOHJNCDRDX-SFHVURJKSA-N 2 1 394.519 3.720 20 0 GHADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593721 1032988383 /nfs/dbraw/zinc/98/83/83/1032988383.db2.gz UBZHFEXELNSJBJ-DENIHFKCSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593721 1032988389 /nfs/dbraw/zinc/98/83/89/1032988389.db2.gz UBZHFEXELNSJBJ-DENIHFKCSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593721 1032988392 /nfs/dbraw/zinc/98/83/92/1032988392.db2.gz UBZHFEXELNSJBJ-DENIHFKCSA-N 2 1 379.589 3.687 20 0 GHADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593723 1032988507 /nfs/dbraw/zinc/98/85/07/1032988507.db2.gz UBZHFEXELNSJBJ-SIKLNZKXSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593723 1032988517 /nfs/dbraw/zinc/98/85/17/1032988517.db2.gz UBZHFEXELNSJBJ-SIKLNZKXSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001204593723 1032988521 /nfs/dbraw/zinc/98/85/21/1032988521.db2.gz UBZHFEXELNSJBJ-SIKLNZKXSA-N 2 1 379.589 3.687 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834892352 1021632333 /nfs/dbraw/zinc/63/23/33/1021632333.db2.gz LWXPGVUGEDVVIM-ZMWHVPEISA-N 2 1 387.568 3.726 20 0 GHADMP c1csc(-c2ccccc2C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)n1 ZINC001140451232 1021738340 /nfs/dbraw/zinc/73/83/40/1021738340.db2.gz JPOYWWNGLTWBRM-KDURUIRLSA-N 2 1 376.529 3.769 20 0 GHADMP c1ccc(C[NH+]2CCC(OCCCNc3nc(N4CCCC4)cc[nH+]3)CC2)cc1 ZINC000749101393 1021745432 /nfs/dbraw/zinc/74/54/32/1021745432.db2.gz ARWVGLHOKDUOAC-UHFFFAOYSA-N 2 1 395.551 3.560 20 0 GHADMP Cn1cnc2cc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001140507660 1021893102 /nfs/dbraw/zinc/89/31/02/1021893102.db2.gz NLEKFWUVWXJVNF-XKCSPQBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001140507660 1021893115 /nfs/dbraw/zinc/89/31/15/1021893115.db2.gz NLEKFWUVWXJVNF-XKCSPQBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001140507660 1021893131 /nfs/dbraw/zinc/89/31/31/1021893131.db2.gz NLEKFWUVWXJVNF-XKCSPQBFSA-N 2 1 389.547 3.701 20 0 GHADMP Cn1cnc2cc(C[NH+]3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)ccc21 ZINC001140507660 1021893139 /nfs/dbraw/zinc/89/31/39/1021893139.db2.gz NLEKFWUVWXJVNF-XKCSPQBFSA-N 2 1 389.547 3.701 20 0 GHADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000678131113 1021906719 /nfs/dbraw/zinc/90/67/19/1021906719.db2.gz HYQDZDRZNSPSJR-NRFANRHFSA-N 2 1 384.520 3.981 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000678929812 1021941442 /nfs/dbraw/zinc/94/14/42/1021941442.db2.gz OIAMOOJFIFNGSY-FQEVSTJZSA-N 2 1 376.541 3.607 20 0 GHADMP CCCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000678929813 1021941596 /nfs/dbraw/zinc/94/15/96/1021941596.db2.gz OIAMOOJFIFNGSY-HXUWFJFHSA-N 2 1 376.541 3.607 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001140803510 1022574399 /nfs/dbraw/zinc/57/43/99/1022574399.db2.gz ROPRGHOORSHBRV-DEOSSOPVSA-N 2 1 397.482 3.694 20 0 GHADMP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001140803510 1022574412 /nfs/dbraw/zinc/57/44/12/1022574412.db2.gz ROPRGHOORSHBRV-DEOSSOPVSA-N 2 1 397.482 3.694 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204757216 1033070881 /nfs/dbraw/zinc/07/08/81/1033070881.db2.gz WQLCXPXKJWSZCI-KSZLIROESA-N 2 1 379.495 3.587 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H]1[C@@H](C)C[NH2+]CC1(F)F ZINC001204757216 1033070894 /nfs/dbraw/zinc/07/08/94/1033070894.db2.gz WQLCXPXKJWSZCI-KSZLIROESA-N 2 1 379.495 3.587 20 0 GHADMP COc1ccc(CN(C)c2cc[nH+]c(NCC3CC[NH+](C(C)C)CC3)n2)cc1 ZINC001156502461 1033071583 /nfs/dbraw/zinc/07/15/83/1033071583.db2.gz PQKZIOZORVDJKT-UHFFFAOYSA-N 2 1 383.540 3.654 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1[nH]cc(C)c1C)CC2 ZINC001140860902 1022722616 /nfs/dbraw/zinc/72/26/16/1022722616.db2.gz XWVYXLHUOLGRSF-SFHVURJKSA-N 2 1 388.581 3.591 20 0 GHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140968579 1023032130 /nfs/dbraw/zinc/03/21/30/1023032130.db2.gz OQFFNJQALJDKJM-UHFFFAOYSA-N 2 1 392.469 3.527 20 0 GHADMP CN(Cc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001140975025 1023056701 /nfs/dbraw/zinc/05/67/01/1023056701.db2.gz BHFZQKFKQFTOOE-XMMPIXPASA-N 2 1 392.591 3.535 20 0 GHADMP C[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001140975025 1023056709 /nfs/dbraw/zinc/05/67/09/1023056709.db2.gz BHFZQKFKQFTOOE-XMMPIXPASA-N 2 1 392.591 3.535 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001140975025 1023056717 /nfs/dbraw/zinc/05/67/17/1023056717.db2.gz BHFZQKFKQFTOOE-XMMPIXPASA-N 2 1 392.591 3.535 20 0 GHADMP Cc1cc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)ccc1Cl ZINC001204815484 1033102943 /nfs/dbraw/zinc/10/29/43/1033102943.db2.gz BPUGROLBOLACKV-UHFFFAOYSA-N 2 1 387.955 3.911 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC001141037512 1023349730 /nfs/dbraw/zinc/34/97/30/1023349730.db2.gz QVDWWLNRPJTWLG-QFIPXVFZSA-N 2 1 382.504 3.927 20 0 GHADMP CCOc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001138097490 1024071181 /nfs/dbraw/zinc/07/11/81/1024071181.db2.gz WGMCLCLPWJGIHI-HXUWFJFHSA-N 2 1 384.520 3.934 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001138541603 1024983465 /nfs/dbraw/zinc/98/34/65/1024983465.db2.gz YSMVNUOBESTPGT-WBADGQHESA-N 2 1 383.580 3.524 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc1 ZINC001138543660 1024986255 /nfs/dbraw/zinc/98/62/55/1024986255.db2.gz TUDOXUHLLIGYGF-LJQANCHMSA-N 2 1 382.508 3.670 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C2)cc1 ZINC001138543660 1024986266 /nfs/dbraw/zinc/98/62/66/1024986266.db2.gz TUDOXUHLLIGYGF-LJQANCHMSA-N 2 1 382.508 3.670 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001138544339 1024988020 /nfs/dbraw/zinc/98/80/20/1024988020.db2.gz GLUAEOABXQNALK-QUCCMNQESA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc1 ZINC001138544339 1024988027 /nfs/dbraw/zinc/98/80/27/1024988027.db2.gz GLUAEOABXQNALK-QUCCMNQESA-N 2 1 382.508 3.622 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)cc1 ZINC001138545524 1024990497 /nfs/dbraw/zinc/99/04/97/1024990497.db2.gz YKCKYTQPPBICLL-UHFFFAOYSA-N 2 1 384.524 3.917 20 0 GHADMP CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138549454 1024997694 /nfs/dbraw/zinc/99/76/94/1024997694.db2.gz PYGXAHJAKJBGTE-NRFANRHFSA-N 2 1 383.536 3.836 20 0 GHADMP CCCn1ncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1C ZINC001138638530 1025146572 /nfs/dbraw/zinc/14/65/72/1025146572.db2.gz WSMNGFCWTVEPHQ-UHFFFAOYSA-N 2 1 396.579 3.777 20 0 GHADMP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)CCCO5)CC3)C2)c1 ZINC001138715771 1025239244 /nfs/dbraw/zinc/23/92/44/1025239244.db2.gz MEOJMFBPJUSXEF-UHFFFAOYSA-N 2 1 398.572 3.940 20 0 GHADMP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc5c(c4)CCCO5)CC3)C2)c1 ZINC001138715771 1025239250 /nfs/dbraw/zinc/23/92/50/1025239250.db2.gz MEOJMFBPJUSXEF-UHFFFAOYSA-N 2 1 398.572 3.940 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cnc3[nH]ccc3c1)CC2 ZINC001138738128 1025274711 /nfs/dbraw/zinc/27/47/11/1025274711.db2.gz LQVDXLFSNUMUSJ-JOCHJYFZSA-N 2 1 390.531 3.818 20 0 GHADMP C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138772297 1025341724 /nfs/dbraw/zinc/34/17/24/1025341724.db2.gz YBNCWJNZFYCOJQ-XLIONFOSSA-N 2 1 391.556 3.505 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(F)ccc(C4OCCO4)c3Cl)C2)CC1 ZINC000839073116 1025567033 /nfs/dbraw/zinc/56/70/33/1025567033.db2.gz IQAYTVAMFYMYTD-UHFFFAOYSA-N 2 1 382.907 3.832 20 0 GHADMP CC[NH+](CC)CCC[NH+]1CCC([C@@H]2OCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000839101018 1025600764 /nfs/dbraw/zinc/60/07/64/1025600764.db2.gz UVZVARPQYZLNDV-PMACEKPBSA-N 2 1 397.604 3.503 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ncc(C(C)(C)C)s2)[C@@H](c2ccccc2)C1 ZINC001461034045 1069348930 /nfs/dbraw/zinc/34/89/30/1069348930.db2.gz CLEFRWKEKQWFNE-LJQANCHMSA-N 2 1 386.609 3.909 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC001461042577 1069355267 /nfs/dbraw/zinc/35/52/67/1069355267.db2.gz DAWVHQXQLJJDSP-QMMLZNLJSA-N 2 1 376.516 3.642 20 0 GHADMP CC(C)c1nccnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162932727 1025971139 /nfs/dbraw/zinc/97/11/39/1025971139.db2.gz ITJKXFGFTNVKKB-HXUWFJFHSA-N 2 1 379.552 3.514 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](CNc3cccc4nsnc43)C3(C2)CC[NH2+]CC3)cc1 ZINC001162935863 1025973542 /nfs/dbraw/zinc/97/35/42/1025973542.db2.gz XAVTVERHLUJFFL-GOSISDBHSA-N 2 1 393.560 3.605 20 0 GHADMP Cc1nc2[nH]ccc2cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940567 1025977991 /nfs/dbraw/zinc/97/79/91/1025977991.db2.gz HMYATGUIKSOVRI-OAQYLSRUSA-N 2 1 389.547 3.737 20 0 GHADMP Cc1ccc2c(c1)[C@@H](Nc1c[nH+]c(N3CCOCC3)c(C)c1)CC21CC[NH2+]CC1 ZINC001163033788 1026016885 /nfs/dbraw/zinc/01/68/85/1026016885.db2.gz JRNPGWHIOUYINL-QFIPXVFZSA-N 2 1 392.547 3.713 20 0 GHADMP CC[NH+](CC)Cc1c(Br)cccc1NCc1noc2c1C[NH2+]CC2 ZINC001163134985 1026061706 /nfs/dbraw/zinc/06/17/06/1026061706.db2.gz NCQOAUXHEABBCK-UHFFFAOYSA-N 2 1 393.329 3.537 20 0 GHADMP COc1ccc(OC)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1N ZINC001139277235 1026123759 /nfs/dbraw/zinc/12/37/59/1026123759.db2.gz PMKWXAIGYUAJDS-PMACEKPBSA-N 2 1 395.547 3.630 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cn2)C[C@@H](C)O1 ZINC001139380235 1026249218 /nfs/dbraw/zinc/24/92/18/1026249218.db2.gz JDUOCVHWGURULR-SJBKTWHCSA-N 2 1 386.584 3.536 20 0 GHADMP C[C@@H]1CN(c2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cn2)C[C@@H](C)O1 ZINC001139380235 1026249226 /nfs/dbraw/zinc/24/92/26/1026249226.db2.gz JDUOCVHWGURULR-SJBKTWHCSA-N 2 1 386.584 3.536 20 0 GHADMP C[C@H]1CC[C@H](C[NH3+])N(c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C1 ZINC001164074544 1026402150 /nfs/dbraw/zinc/40/21/50/1026402150.db2.gz UHHAODFCGGJNDU-JKSUJKDBSA-N 2 1 399.608 3.730 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC001461100444 1069389214 /nfs/dbraw/zinc/38/92/14/1069389214.db2.gz IRSVNKMTLLDXIP-OAHLLOKOSA-N 2 1 397.510 3.670 20 0 GHADMP Fc1cccc2nc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn21 ZINC001139572309 1026441194 /nfs/dbraw/zinc/44/11/94/1026441194.db2.gz NDMAWXPESFMWQD-PMACEKPBSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn21 ZINC001139572309 1026441202 /nfs/dbraw/zinc/44/12/02/1026441202.db2.gz NDMAWXPESFMWQD-PMACEKPBSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)cn21 ZINC001139572309 1026441205 /nfs/dbraw/zinc/44/12/05/1026441205.db2.gz NDMAWXPESFMWQD-PMACEKPBSA-N 2 1 378.495 3.817 20 0 GHADMP Fc1cccc2nc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cn21 ZINC001139572309 1026441221 /nfs/dbraw/zinc/44/12/21/1026441221.db2.gz NDMAWXPESFMWQD-PMACEKPBSA-N 2 1 378.495 3.817 20 0 GHADMP COc1c(NCC2([NH+](C)C)CC[NH+](C)CC2)cccc1OCc1ccccc1 ZINC001164216984 1026455717 /nfs/dbraw/zinc/45/57/17/1026455717.db2.gz OSPJMNNNHQAOQE-UHFFFAOYSA-N 2 1 383.536 3.712 20 0 GHADMP CCOc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1CC ZINC001139625298 1026493117 /nfs/dbraw/zinc/49/31/17/1026493117.db2.gz UWXSDWSEPHZACD-UHFFFAOYSA-N 2 1 396.579 3.888 20 0 GHADMP O=C(NC1CC1)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001461121830 1069401708 /nfs/dbraw/zinc/40/17/08/1069401708.db2.gz QTJWUSSTLCNSBA-OAQYLSRUSA-N 2 1 377.532 3.581 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3C[C@@H]4C[C@]4(C[NH+](C)C)C3)c2c1C ZINC001165182798 1026651555 /nfs/dbraw/zinc/65/15/55/1026651555.db2.gz APFZNTSIUUMXKE-JTSKRJEESA-N 2 1 399.608 3.682 20 0 GHADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)C4(CCCC4)[C@H]3c3ccccc3)C2)CC1 ZINC000840038440 1027103011 /nfs/dbraw/zinc/10/30/11/1027103011.db2.gz UQEWOOSAIPWALZ-FGZHOGPDSA-N 2 1 381.564 3.752 20 0 GHADMP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cc2c1OCO2 ZINC001209712548 1027110538 /nfs/dbraw/zinc/11/05/38/1027110538.db2.gz YCQOZJHUTPZFGY-UHFFFAOYSA-N 2 1 391.471 3.603 20 0 GHADMP COc1ccc2oc(C[N@@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)cc2c1 ZINC001209768450 1027169762 /nfs/dbraw/zinc/16/97/62/1027169762.db2.gz MJBFYCLBFGZRPQ-AUSIDOKSSA-N 2 1 384.520 3.622 20 0 GHADMP COc1ccc2oc(C[N@H+]3CC[C@@]4(C[NH+](C)C[C@@H]4COCC4CC4)C3)cc2c1 ZINC001209768450 1027169778 /nfs/dbraw/zinc/16/97/78/1027169778.db2.gz MJBFYCLBFGZRPQ-AUSIDOKSSA-N 2 1 384.520 3.622 20 0 GHADMP COc1ccc2oc(C[NH+]3CC[C@]4(C3)C[N@H+](C)C[C@@H]4COCC3CC3)cc2c1 ZINC001209768450 1027169800 /nfs/dbraw/zinc/16/98/00/1027169800.db2.gz MJBFYCLBFGZRPQ-AUSIDOKSSA-N 2 1 384.520 3.622 20 0 GHADMP COc1ccc2oc(C[NH+]3CC[C@]4(C3)C[N@@H+](C)C[C@@H]4COCC3CC3)cc2c1 ZINC001209768450 1027169819 /nfs/dbraw/zinc/16/98/19/1027169819.db2.gz MJBFYCLBFGZRPQ-AUSIDOKSSA-N 2 1 384.520 3.622 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1C(C)(C)C ZINC001461228459 1069451848 /nfs/dbraw/zinc/45/18/48/1069451848.db2.gz CUEGIKIRCMBFKD-GGAORHGYSA-N 2 1 396.575 3.965 20 0 GHADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1C(C)(C)C ZINC001461228459 1069451853 /nfs/dbraw/zinc/45/18/53/1069451853.db2.gz CUEGIKIRCMBFKD-GGAORHGYSA-N 2 1 396.575 3.965 20 0 GHADMP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)c(OC)c1 ZINC001203471660 1027363592 /nfs/dbraw/zinc/36/35/92/1027363592.db2.gz OYNJXULNUJEYKE-UHFFFAOYSA-N 2 1 377.488 3.883 20 0 GHADMP O[C@@]1(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC[N@H+](Cc2ccccc2)C1 ZINC001461229646 1069452895 /nfs/dbraw/zinc/45/28/95/1069452895.db2.gz BDPCFBVGGWJLHN-HXUWFJFHSA-N 2 1 387.936 3.676 20 0 GHADMP O[C@@]1(C[NH2+]Cc2cc3nc(Cl)ccc3s2)CC[N@@H+](Cc2ccccc2)C1 ZINC001461229646 1069452898 /nfs/dbraw/zinc/45/28/98/1069452898.db2.gz BDPCFBVGGWJLHN-HXUWFJFHSA-N 2 1 387.936 3.676 20 0 GHADMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1O ZINC001203867620 1027670410 /nfs/dbraw/zinc/67/04/10/1027670410.db2.gz GNPNVOXYOVRUDK-OAQYLSRUSA-N 2 1 396.531 3.656 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203927762 1027718808 /nfs/dbraw/zinc/71/88/08/1027718808.db2.gz DUVHXDZVPKOGPF-NKKJXINNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203927762 1027718827 /nfs/dbraw/zinc/71/88/27/1027718827.db2.gz DUVHXDZVPKOGPF-NKKJXINNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203927762 1027718848 /nfs/dbraw/zinc/71/88/48/1027718848.db2.gz DUVHXDZVPKOGPF-NKKJXINNSA-N 2 1 392.547 3.773 20 0 GHADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203927762 1027718868 /nfs/dbraw/zinc/71/88/68/1027718868.db2.gz DUVHXDZVPKOGPF-NKKJXINNSA-N 2 1 392.547 3.773 20 0 GHADMP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC001203964851 1027763155 /nfs/dbraw/zinc/76/31/55/1027763155.db2.gz QNLHWBMGEKLVCP-UHFFFAOYSA-N 2 1 380.532 3.952 20 0 GHADMP C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@@H](C)C[N@H+]1C ZINC001461277937 1069477564 /nfs/dbraw/zinc/47/75/64/1069477564.db2.gz WWYFGZSHHUXGMZ-ZCNNSNEGSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@@H](C)C[NH+]1C ZINC001461277937 1069477572 /nfs/dbraw/zinc/47/75/72/1069477572.db2.gz WWYFGZSHHUXGMZ-ZCNNSNEGSA-N 2 1 379.548 3.872 20 0 GHADMP C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H](C)C[NH+]1C ZINC001461277937 1069477577 /nfs/dbraw/zinc/47/75/77/1069477577.db2.gz WWYFGZSHHUXGMZ-ZCNNSNEGSA-N 2 1 379.548 3.872 20 0 GHADMP CC[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC001211270046 1027876732 /nfs/dbraw/zinc/87/67/32/1027876732.db2.gz SYLJPNUHCKFVLO-VXKWHMMOSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@@H](CNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001211270046 1027876757 /nfs/dbraw/zinc/87/67/57/1027876757.db2.gz SYLJPNUHCKFVLO-VXKWHMMOSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@@H](CNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001211270046 1027876777 /nfs/dbraw/zinc/87/67/77/1027876777.db2.gz SYLJPNUHCKFVLO-VXKWHMMOSA-N 2 1 398.595 3.530 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC001211311852 1027904768 /nfs/dbraw/zinc/90/47/68/1027904768.db2.gz JLBGJPYMZRTUEB-XQBPLPMBSA-N 2 1 388.600 3.519 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)cc1 ZINC000840959927 1027992129 /nfs/dbraw/zinc/99/21/29/1027992129.db2.gz YJSMCACDYGHFOS-IBGZPJMESA-N 2 1 377.326 3.676 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000841309490 1028404910 /nfs/dbraw/zinc/40/49/10/1028404910.db2.gz QQHKZDPFGWUZOM-QHCPKHFHSA-N 2 1 380.536 3.830 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)o1 ZINC001142621480 1029166772 /nfs/dbraw/zinc/16/67/72/1029166772.db2.gz LACBUSFBUNTHSX-UHFFFAOYSA-N 2 1 398.503 3.563 20 0 GHADMP COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001142908850 1029671856 /nfs/dbraw/zinc/67/18/56/1029671856.db2.gz JRIYXVFLZNOZOG-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142908850 1029671863 /nfs/dbraw/zinc/67/18/63/1029671863.db2.gz JRIYXVFLZNOZOG-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP COC(=O)Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001142908850 1029671870 /nfs/dbraw/zinc/67/18/70/1029671870.db2.gz JRIYXVFLZNOZOG-XMMPIXPASA-N 2 1 378.516 3.500 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000842920718 1029685226 /nfs/dbraw/zinc/68/52/26/1029685226.db2.gz KQOIIVDWWGCWLJ-WEYGHZABSA-N 2 1 379.504 3.639 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+](C)C4CCC([NH3+])CC4)cc3)nc12 ZINC000843054756 1029789277 /nfs/dbraw/zinc/78/92/77/1029789277.db2.gz GEVMMYYOHXTZNY-UHFFFAOYSA-N 2 1 378.520 3.923 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cn3ccc(Br)cc3n2)CC1 ZINC001143042410 1029805768 /nfs/dbraw/zinc/80/57/68/1029805768.db2.gz HZNWIFQILLYXTI-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c(Cl)nc21 ZINC000843127722 1029817810 /nfs/dbraw/zinc/81/78/10/1029817810.db2.gz SRICXXKDIRQISX-JKSUJKDBSA-N 2 1 375.948 3.877 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000843360768 1029938133 /nfs/dbraw/zinc/93/81/33/1029938133.db2.gz IQEVSXINNROHDI-JLYLLQBASA-N 2 1 395.469 3.541 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000843360768 1029938134 /nfs/dbraw/zinc/93/81/34/1029938134.db2.gz IQEVSXINNROHDI-JLYLLQBASA-N 2 1 395.469 3.541 20 0 GHADMP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843385651 1029954020 /nfs/dbraw/zinc/95/40/20/1029954020.db2.gz BIJSFWHRDXVDFK-HKBOAZHASA-N 2 1 398.595 3.716 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@@H+]1Cc1ccc(-c3cccs3)s1)CC[NH2+]CC2 ZINC001222222048 1030015671 /nfs/dbraw/zinc/01/56/71/1030015671.db2.gz WHJBVOHTCZDKLK-MRXNPFEDSA-N 2 1 390.574 3.984 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(-c3cccs3)s1)CC[NH2+]CC2 ZINC001222222048 1030015684 /nfs/dbraw/zinc/01/56/84/1030015684.db2.gz WHJBVOHTCZDKLK-MRXNPFEDSA-N 2 1 390.574 3.984 20 0 GHADMP C[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001143311650 1030017108 /nfs/dbraw/zinc/01/71/08/1030017108.db2.gz UJOZDNKUMTZXHH-DEOSSOPVSA-N 2 1 391.559 3.632 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001149206249 1030091449 /nfs/dbraw/zinc/09/14/49/1030091449.db2.gz PWRLHFDYDOZFPT-LUKWVAJMSA-N 2 1 397.607 3.770 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001222590094 1030213246 /nfs/dbraw/zinc/21/32/46/1030213246.db2.gz DVMXVFKSEAKKLJ-XMMPIXPASA-N 3 1 391.559 3.593 20 0 GHADMP c1ccc(COC[C@H]2CCC3(CC[NH2+]CC3)N2Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001222590094 1030213264 /nfs/dbraw/zinc/21/32/64/1030213264.db2.gz DVMXVFKSEAKKLJ-XMMPIXPASA-N 2 1 391.559 3.593 20 0 GHADMP Clc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1-n1ccnc1 ZINC001222609307 1030232647 /nfs/dbraw/zinc/23/26/47/1030232647.db2.gz NAAJPQIRUSXVOO-IBGZPJMESA-N 2 1 378.907 3.715 20 0 GHADMP Clc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1-n1ccnc1 ZINC001222609307 1030232654 /nfs/dbraw/zinc/23/26/54/1030232654.db2.gz NAAJPQIRUSXVOO-IBGZPJMESA-N 2 1 378.907 3.715 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC001222665294 1030267433 /nfs/dbraw/zinc/26/74/33/1030267433.db2.gz AZXGCHAAOYQYEC-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001222665294 1030267451 /nfs/dbraw/zinc/26/74/51/1030267451.db2.gz AZXGCHAAOYQYEC-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001222665294 1030267465 /nfs/dbraw/zinc/26/74/65/1030267465.db2.gz AZXGCHAAOYQYEC-KNQAVFIVSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC001222665505 1030267768 /nfs/dbraw/zinc/26/77/68/1030267768.db2.gz FBTWODNSDIFOOA-FQEVSTJZSA-N 2 1 388.600 3.696 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001222665505 1030267784 /nfs/dbraw/zinc/26/77/84/1030267784.db2.gz FBTWODNSDIFOOA-FQEVSTJZSA-N 2 1 388.600 3.696 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001222665505 1030267799 /nfs/dbraw/zinc/26/77/99/1030267799.db2.gz FBTWODNSDIFOOA-FQEVSTJZSA-N 2 1 388.600 3.696 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CCC(C(C)(C)C)CC1 ZINC001223507285 1030609968 /nfs/dbraw/zinc/60/99/68/1030609968.db2.gz FTUSODKDPOIPET-XVAXZDLZSA-N 2 1 394.648 3.896 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2CCC[NH2+]C[C@@H]2F)c1-3 ZINC001217949795 1030682609 /nfs/dbraw/zinc/68/26/09/1030682609.db2.gz QHYBYOSQNIJRPS-NSHGMRRFSA-N 2 1 382.479 3.613 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1-3 ZINC001217982103 1030702614 /nfs/dbraw/zinc/70/26/14/1030702614.db2.gz RVAHQIUKYVCMOM-NLWGTHIKSA-N 2 1 382.479 3.613 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OC[C@@H]3C[NH2+]CCCO3)c2)CC[N@H+]1C ZINC001218302176 1030878042 /nfs/dbraw/zinc/87/80/42/1030878042.db2.gz PGPKDWJDJRNHMF-XQUALCHDSA-N 2 1 386.580 3.986 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(OCCO[C@@H]3CC[NH2+]C3)c2)CC[N@H+]1C ZINC001218391828 1030916192 /nfs/dbraw/zinc/91/61/92/1030916192.db2.gz ZQXJDTNGQGDRJI-QPXUXIHVSA-N 2 1 386.580 3.986 20 0 GHADMP [NH3+]C1CCN(Cc2ccccc2O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC001218390250 1030916870 /nfs/dbraw/zinc/91/68/70/1030916870.db2.gz GYAHMOFVQPUSGJ-JOCHJYFZSA-N 2 1 397.538 3.792 20 0 GHADMP [NH3+]C1CC[NH+](Cc2ccccc2O[C@H]2C[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001218479922 1030954384 /nfs/dbraw/zinc/95/43/84/1030954384.db2.gz VXUHOVNPDGOXRD-GRGXKFILSA-N 2 1 394.515 3.511 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001224901156 1031169983 /nfs/dbraw/zinc/16/99/83/1031169983.db2.gz XJSJOVJPGMRNIO-SOSXJGDFSA-N 2 1 398.595 3.728 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001224962864 1031193661 /nfs/dbraw/zinc/19/36/61/1031193661.db2.gz YTKLRTGYMBAGIM-NQHRYMMQSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001224962864 1031193673 /nfs/dbraw/zinc/19/36/73/1031193673.db2.gz YTKLRTGYMBAGIM-NQHRYMMQSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC001224962864 1031193679 /nfs/dbraw/zinc/19/36/79/1031193679.db2.gz YTKLRTGYMBAGIM-NQHRYMMQSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224962864 1031193692 /nfs/dbraw/zinc/19/36/92/1031193692.db2.gz YTKLRTGYMBAGIM-NQHRYMMQSA-N 2 1 394.559 3.815 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224962864 1031193698 /nfs/dbraw/zinc/19/36/98/1031193698.db2.gz YTKLRTGYMBAGIM-NQHRYMMQSA-N 2 1 394.559 3.815 20 0 GHADMP CCC[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC001152415461 1031228656 /nfs/dbraw/zinc/22/86/56/1031228656.db2.gz ARBZGOOBKDQSJF-XMMPIXPASA-N 2 1 393.575 3.917 20 0 GHADMP CC[C@]1(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@@H]3c2ccccc2)CCC[NH2+]C1 ZINC001219047055 1031230286 /nfs/dbraw/zinc/23/02/86/1031230286.db2.gz PAYAFRZWSROTMU-YKSBVNFPSA-N 2 1 377.532 3.982 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001220472888 1031954929 /nfs/dbraw/zinc/95/49/29/1031954929.db2.gz MELSNIVVYQKMAL-XMSQKQJNSA-N 2 1 399.583 3.628 20 0 GHADMP CC(C)[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001220610684 1032011271 /nfs/dbraw/zinc/01/12/71/1032011271.db2.gz KUJNHKZKJCFTFJ-LEWJYISDSA-N 2 1 380.621 3.554 20 0 GHADMP CC[C@@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC001220618777 1032018436 /nfs/dbraw/zinc/01/84/36/1032018436.db2.gz DBIUJLFJQIHOIM-QFIPXVFZSA-N 2 1 388.600 3.631 20 0 GHADMP Clc1ccsc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001205333627 1033365473 /nfs/dbraw/zinc/36/54/73/1033365473.db2.gz LPLHIPQFWWQPEI-SJLPKXTDSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1ccsc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001205333627 1033365479 /nfs/dbraw/zinc/36/54/79/1033365479.db2.gz LPLHIPQFWWQPEI-SJLPKXTDSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1ccsc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001205333627 1033365482 /nfs/dbraw/zinc/36/54/82/1033365482.db2.gz LPLHIPQFWWQPEI-SJLPKXTDSA-N 2 1 377.941 3.519 20 0 GHADMP Clc1ccsc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001205333627 1033365487 /nfs/dbraw/zinc/36/54/87/1033365487.db2.gz LPLHIPQFWWQPEI-SJLPKXTDSA-N 2 1 377.941 3.519 20 0 GHADMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(=O)C1CC1 ZINC001205385491 1033387107 /nfs/dbraw/zinc/38/71/07/1033387107.db2.gz ICXWUNCTLYWYAO-APWZRJJASA-N 2 1 386.536 3.753 20 0 GHADMP Cc1nc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC001157066523 1033399058 /nfs/dbraw/zinc/39/90/58/1033399058.db2.gz JOKWKCGHKSCHRX-UHFFFAOYSA-N 2 1 383.515 3.625 20 0 GHADMP Cc1nc(N2CCCC2)cc(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)[nH+]1 ZINC001157066523 1033399089 /nfs/dbraw/zinc/39/90/89/1033399089.db2.gz JOKWKCGHKSCHRX-UHFFFAOYSA-N 2 1 383.515 3.625 20 0 GHADMP Cc1nc(N2CCCC2)cc(N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)[nH+]1 ZINC001157066523 1033399104 /nfs/dbraw/zinc/39/91/04/1033399104.db2.gz JOKWKCGHKSCHRX-UHFFFAOYSA-N 2 1 383.515 3.625 20 0 GHADMP C[N@@H+](Cc1ccc(N(c2ncnc3ccccc32)C2CC[NH2+]CC2)nc1)C1CC1 ZINC001157328160 1033535802 /nfs/dbraw/zinc/53/58/02/1033535802.db2.gz CYZCCKKNGKUZRO-UHFFFAOYSA-N 2 1 388.519 3.509 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2-c2cccc(Br)n2)CCC1(F)F ZINC001205771224 1033566723 /nfs/dbraw/zinc/56/67/23/1033566723.db2.gz SEYRJSDVUMHVOY-CQSZACIVSA-N 2 1 396.279 3.927 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2-c2cccc(Br)n2)CCC1(F)F ZINC001205771224 1033566725 /nfs/dbraw/zinc/56/67/25/1033566725.db2.gz SEYRJSDVUMHVOY-CQSZACIVSA-N 2 1 396.279 3.927 20 0 GHADMP CCN(C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC001229619339 1033596850 /nfs/dbraw/zinc/59/68/50/1033596850.db2.gz FQJTUAYCQHOEDL-FGZHOGPDSA-N 2 1 388.600 3.614 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CCCC[C@@]45CCC[NH2+]C5)ccc3C2)cc1 ZINC001157470950 1033608257 /nfs/dbraw/zinc/60/82/57/1033608257.db2.gz ABWUYHHOOLVRDJ-DEOSSOPVSA-N 2 1 376.548 3.752 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc(OC(F)F)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206024127 1033690963 /nfs/dbraw/zinc/69/09/63/1033690963.db2.gz HXHUVTIDHHYNSZ-NEPJUHHUSA-N 2 1 377.273 3.857 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ncc(C(F)(F)F)cc2Br)CCC[C@H]1C[NH3+] ZINC001206022738 1033691449 /nfs/dbraw/zinc/69/14/49/1033691449.db2.gz CNSCJOWLAFSPTP-MNOVXSKESA-N 2 1 380.252 3.670 20 0 GHADMP CCc1cc(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)nc(C)[nH+]1 ZINC001157664836 1033710194 /nfs/dbraw/zinc/71/01/94/1033710194.db2.gz BVPMKOBNDUWCTH-UHFFFAOYSA-N 2 1 394.563 3.997 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(F)ccc(I)c2F)CC1 ZINC001206327290 1033797927 /nfs/dbraw/zinc/79/79/27/1033797927.db2.gz UZPUBHLSCFJAGD-OAHLLOKOSA-N 2 1 394.247 3.520 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(F)ccc(I)c2F)CC1 ZINC001206327290 1033797943 /nfs/dbraw/zinc/79/79/43/1033797943.db2.gz UZPUBHLSCFJAGD-OAHLLOKOSA-N 2 1 394.247 3.520 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc(C)c1I ZINC001206326823 1033798684 /nfs/dbraw/zinc/79/86/84/1033798684.db2.gz PKHKBZWEKACUGJ-QGZVFWFLSA-N 2 1 386.321 3.859 20 0 GHADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(CC[NH3+])c2cccnc2)n1 ZINC001158001329 1033860967 /nfs/dbraw/zinc/86/09/67/1033860967.db2.gz BVNXXOVKDFJJBC-UHFFFAOYSA-N 2 1 384.553 3.642 20 0 GHADMP COc1ccc(CN2CCOCC2)cc1-c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001206503158 1033877351 /nfs/dbraw/zinc/87/73/51/1033877351.db2.gz QFDJBLQNTUVOHM-QFIPXVFZSA-N 2 1 381.520 3.746 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c(c2)c2ccccc2n3Cc2ccccc2)C[C@@H]1O ZINC001206534708 1033896639 /nfs/dbraw/zinc/89/66/39/1033896639.db2.gz AIEANNKOCVNTQP-CPJSRVTESA-N 2 1 385.511 3.594 20 0 GHADMP COc1cc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001206632834 1033930384 /nfs/dbraw/zinc/93/03/84/1033930384.db2.gz OTGVCHPIPNURPN-IBGZPJMESA-N 2 1 384.520 3.844 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)cc(OCc2ccccc2)c1OC ZINC001206632834 1033930392 /nfs/dbraw/zinc/93/03/92/1033930392.db2.gz OTGVCHPIPNURPN-IBGZPJMESA-N 2 1 384.520 3.844 20 0 GHADMP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001206771731 1033977435 /nfs/dbraw/zinc/97/74/35/1033977435.db2.gz XMCVWRUOECTGNW-GMAHTHKFSA-N 3 1 392.591 3.568 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2ccnc(OC)c2)C2CC[NH2+]CC2)nc1 ZINC001158333301 1034028299 /nfs/dbraw/zinc/02/82/99/1034028299.db2.gz GOHVKBIZFOPUIX-OAQYLSRUSA-N 2 1 395.551 3.922 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CCO1 ZINC001207352953 1034297169 /nfs/dbraw/zinc/29/71/69/1034297169.db2.gz BSMIASMPXPIXLO-SFHVURJKSA-N 2 1 378.582 3.620 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC001207356444 1034301798 /nfs/dbraw/zinc/30/17/98/1034301798.db2.gz JRDQFPVUGYBDOA-YADHBBJMSA-N 2 1 386.580 3.947 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379245 1034322887 /nfs/dbraw/zinc/32/28/87/1034322887.db2.gz SSMXPKQIGHZZLK-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379245 1034322896 /nfs/dbraw/zinc/32/28/96/1034322896.db2.gz SSMXPKQIGHZZLK-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379245 1034322907 /nfs/dbraw/zinc/32/29/07/1034322907.db2.gz SSMXPKQIGHZZLK-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379245 1034322920 /nfs/dbraw/zinc/32/29/20/1034322920.db2.gz SSMXPKQIGHZZLK-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207379245 1034322928 /nfs/dbraw/zinc/32/29/28/1034322928.db2.gz SSMXPKQIGHZZLK-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](CC2CC[NH2+]CC2)C2CCCC2)C1 ZINC001207441630 1034370474 /nfs/dbraw/zinc/37/04/74/1034370474.db2.gz HJLIWROSADWXDD-LJQANCHMSA-N 2 1 379.589 3.878 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001159052358 1034403437 /nfs/dbraw/zinc/40/34/37/1034403437.db2.gz UPKPUGOTRHHKEK-FBBMUPNTSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001159052358 1034403445 /nfs/dbraw/zinc/40/34/45/1034403445.db2.gz UPKPUGOTRHHKEK-FBBMUPNTSA-N 2 1 383.580 3.665 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001159052358 1034403447 /nfs/dbraw/zinc/40/34/47/1034403447.db2.gz UPKPUGOTRHHKEK-FBBMUPNTSA-N 2 1 383.580 3.665 20 0 GHADMP Cc1cccc(CCN2CCC([N@@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001207554995 1034447214 /nfs/dbraw/zinc/44/72/14/1034447214.db2.gz XGQZRMRFCDJVOP-HXUWFJFHSA-N 2 1 387.568 3.601 20 0 GHADMP Cc1cccc(CCN2CCC([N@H+]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1 ZINC001207554995 1034447219 /nfs/dbraw/zinc/44/72/19/1034447219.db2.gz XGQZRMRFCDJVOP-HXUWFJFHSA-N 2 1 387.568 3.601 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001207767747 1034565646 /nfs/dbraw/zinc/56/56/46/1034565646.db2.gz CYUHYFMUOSHMQL-UHFFFAOYSA-N 2 1 399.579 3.766 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001207767747 1034565661 /nfs/dbraw/zinc/56/56/61/1034565661.db2.gz CYUHYFMUOSHMQL-UHFFFAOYSA-N 2 1 399.579 3.766 20 0 GHADMP Cc1ccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1Cl ZINC001231420830 1034571087 /nfs/dbraw/zinc/57/10/87/1034571087.db2.gz FZQLQBTVAQQJOO-URVUXULASA-N 2 1 399.970 3.615 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(I)s3)C[C@H]2C1 ZINC001207783207 1034575055 /nfs/dbraw/zinc/57/50/55/1034575055.db2.gz BXFBXKBOVYSMNK-JHJVBQTASA-N 2 1 390.334 3.515 20 0 GHADMP C[NH+]1CCC2(CCC(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC001159518604 1034633286 /nfs/dbraw/zinc/63/32/86/1034633286.db2.gz IPUKZVXZFDQEOW-NRFANRHFSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1c(C)c(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C)c1C ZINC001231494124 1034637609 /nfs/dbraw/zinc/63/76/09/1034637609.db2.gz SRKXAQBBBYSXIM-DHIUTWEWSA-N 2 1 380.580 3.916 20 0 GHADMP Cc1c(C)c(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C)c1C ZINC001231494124 1034637617 /nfs/dbraw/zinc/63/76/17/1034637617.db2.gz SRKXAQBBBYSXIM-DHIUTWEWSA-N 2 1 380.580 3.916 20 0 GHADMP Cc1c(C)c(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C)c1C ZINC001231494124 1034637622 /nfs/dbraw/zinc/63/76/22/1034637622.db2.gz SRKXAQBBBYSXIM-DHIUTWEWSA-N 2 1 380.580 3.916 20 0 GHADMP Cc1c(C)c(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C)c1C ZINC001231494124 1034637633 /nfs/dbraw/zinc/63/76/33/1034637633.db2.gz SRKXAQBBBYSXIM-DHIUTWEWSA-N 2 1 380.580 3.916 20 0 GHADMP c1cc(OC2CC[NH2+]CC2)ccc1Nc1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001159622573 1034693380 /nfs/dbraw/zinc/69/33/80/1034693380.db2.gz SKOHSZXPAGDPRN-UHFFFAOYSA-N 2 1 393.531 3.882 20 0 GHADMP COc1cc(F)ccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001231600922 1034756279 /nfs/dbraw/zinc/75/62/79/1034756279.db2.gz DUQDDJAQHKSWFB-IBGZPJMESA-N 2 1 388.483 3.683 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCCC1 ZINC001208185805 1034783159 /nfs/dbraw/zinc/78/31/59/1034783159.db2.gz RMSPYFJCZXDSTO-UHFFFAOYSA-N 2 1 389.609 3.798 20 0 GHADMP COc1cc(C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1C(C)C ZINC001231627805 1034787489 /nfs/dbraw/zinc/78/74/89/1034787489.db2.gz MSDFYBSWJNGCFI-IRLDBZIGSA-N 2 1 396.579 3.814 20 0 GHADMP COc1cc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)cc1C(C)C ZINC001231627805 1034787504 /nfs/dbraw/zinc/78/75/04/1034787504.db2.gz MSDFYBSWJNGCFI-IRLDBZIGSA-N 2 1 396.579 3.814 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1C(C)C ZINC001231627805 1034787519 /nfs/dbraw/zinc/78/75/19/1034787519.db2.gz MSDFYBSWJNGCFI-IRLDBZIGSA-N 2 1 396.579 3.814 20 0 GHADMP COc1cc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)cc1C(C)C ZINC001231627805 1034787528 /nfs/dbraw/zinc/78/75/28/1034787528.db2.gz MSDFYBSWJNGCFI-IRLDBZIGSA-N 2 1 396.579 3.814 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(C[C@@H](C)Cc1ccc3c(c1)OCO3)[C@H]2C ZINC001208213225 1034803907 /nfs/dbraw/zinc/80/39/07/1034803907.db2.gz HJFUQWZGZWIWDK-ROUUACIJSA-N 2 1 398.551 3.707 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN2CC[C@H]3[C@H]2CC[NH+]3Cc2cccnc2)cc1 ZINC001208583895 1034941965 /nfs/dbraw/zinc/94/19/65/1034941965.db2.gz COSBCOGAJCNZIX-CCDWMCETSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)cc1 ZINC001208583895 1034941967 /nfs/dbraw/zinc/94/19/67/1034941967.db2.gz COSBCOGAJCNZIX-CCDWMCETSA-N 2 1 390.575 3.785 20 0 GHADMP c1ccc(C[NH+]2CCCC[C@H]2CN2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC001208583895 1034941971 /nfs/dbraw/zinc/94/19/71/1034941971.db2.gz COSBCOGAJCNZIX-CCDWMCETSA-N 2 1 390.575 3.785 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)CC1 ZINC001208599015 1034951314 /nfs/dbraw/zinc/95/13/14/1034951314.db2.gz HVKWYLUMRKYPOH-OAQYLSRUSA-N 2 1 377.523 3.956 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](C2CCC2)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208604148 1034952174 /nfs/dbraw/zinc/95/21/74/1034952174.db2.gz LIMKQHNHXRWFFC-HXUWFJFHSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)c1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001231876065 1034961334 /nfs/dbraw/zinc/96/13/34/1034961334.db2.gz FDEGJVOKSBDCKL-ISKFKSNPSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001231876065 1034961336 /nfs/dbraw/zinc/96/13/36/1034961336.db2.gz FDEGJVOKSBDCKL-ISKFKSNPSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001231876065 1034961340 /nfs/dbraw/zinc/96/13/40/1034961340.db2.gz FDEGJVOKSBDCKL-ISKFKSNPSA-N 2 1 379.548 3.928 20 0 GHADMP C[N@@H+](Cc1ccc(F)cc1)C1CCN(C[C@H]2COC3(CCCCC3)O2)CC1 ZINC001208643026 1034966159 /nfs/dbraw/zinc/96/61/59/1034966159.db2.gz CWZALEYOMGGXDG-NRFANRHFSA-N 2 1 376.516 3.798 20 0 GHADMP Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cccc3c1OCCO3)CC2 ZINC001231883743 1034966718 /nfs/dbraw/zinc/96/67/18/1034966718.db2.gz PPACBUCQMDIQCT-UHFFFAOYSA-N 2 1 397.519 3.693 20 0 GHADMP CC(C)[C@@]1(C(=O)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)CCC[NH2+]C1 ZINC001160414248 1034967085 /nfs/dbraw/zinc/96/70/85/1034967085.db2.gz VBHSWGGHRZXOQU-HSZRJFAPSA-N 2 1 392.503 3.546 20 0 GHADMP [NH3+]C[C@@]1(Nc2nc(Cl)nc3sc(-c4ccccc4)cc32)C[NH+]2CCC1CC2 ZINC001160512696 1034992555 /nfs/dbraw/zinc/99/25/55/1034992555.db2.gz DPZKYYMUYXJUCI-HXUWFJFHSA-N 2 1 399.951 3.847 20 0 GHADMP c1ccc(COCCOCC[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001208749628 1034996517 /nfs/dbraw/zinc/99/65/17/1034996517.db2.gz DDFPCXNRFQTRQI-LOSJGSFVSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001208749628 1034996523 /nfs/dbraw/zinc/99/65/23/1034996523.db2.gz DDFPCXNRFQTRQI-LOSJGSFVSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001208749628 1034996530 /nfs/dbraw/zinc/99/65/30/1034996530.db2.gz DDFPCXNRFQTRQI-LOSJGSFVSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001208749628 1034996534 /nfs/dbraw/zinc/99/65/34/1034996534.db2.gz DDFPCXNRFQTRQI-LOSJGSFVSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208752458 1034999487 /nfs/dbraw/zinc/99/94/87/1034999487.db2.gz QNBZSLMRULDFHI-RUZDIDTESA-N 2 1 394.559 3.818 20 0 GHADMP c1ccc(COCCOCC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208752458 1034999491 /nfs/dbraw/zinc/99/94/91/1034999491.db2.gz QNBZSLMRULDFHI-RUZDIDTESA-N 2 1 394.559 3.818 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208752458 1034999498 /nfs/dbraw/zinc/99/94/98/1034999498.db2.gz QNBZSLMRULDFHI-RUZDIDTESA-N 2 1 394.559 3.818 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208752458 1034999501 /nfs/dbraw/zinc/99/95/01/1034999501.db2.gz QNBZSLMRULDFHI-RUZDIDTESA-N 2 1 394.559 3.818 20 0 GHADMP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001160595650 1035013159 /nfs/dbraw/zinc/01/31/59/1035013159.db2.gz RTCCSLYFWCCLBL-SFHLNBCPSA-N 2 1 385.596 3.653 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC001160614143 1035016527 /nfs/dbraw/zinc/01/65/27/1035016527.db2.gz UAXIZZQUHICCHV-MDNUFGMLSA-N 2 1 385.596 3.771 20 0 GHADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001208779303 1035017011 /nfs/dbraw/zinc/01/70/11/1035017011.db2.gz FFUMYGUAVMRMIK-ICSRJNTNSA-N 2 1 376.541 3.935 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCCCCOCc1ccccc1)C2 ZINC001208810864 1035033652 /nfs/dbraw/zinc/03/36/52/1035033652.db2.gz OTIQZDOEMZSRTB-UHFFFAOYSA-N 2 1 384.568 3.926 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCCCCOCc1ccccc1)C2 ZINC001208810864 1035033660 /nfs/dbraw/zinc/03/36/60/1035033660.db2.gz OTIQZDOEMZSRTB-UHFFFAOYSA-N 2 1 384.568 3.926 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCCCCOCc1ccccc1)C2 ZINC001208810864 1035033666 /nfs/dbraw/zinc/03/36/66/1035033666.db2.gz OTIQZDOEMZSRTB-UHFFFAOYSA-N 2 1 384.568 3.926 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCCCCOCc1ccccc1)C2 ZINC001208810864 1035033676 /nfs/dbraw/zinc/03/36/76/1035033676.db2.gz OTIQZDOEMZSRTB-UHFFFAOYSA-N 2 1 384.568 3.926 20 0 GHADMP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCC(=O)CC3)CC2)cc1 ZINC001208816097 1035036997 /nfs/dbraw/zinc/03/69/97/1035036997.db2.gz UIBLDMOFDCBUMI-UHFFFAOYSA-N 2 1 386.536 3.519 20 0 GHADMP Cc1nc(COC[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc4c[nH+]ccc4[nH]3)O2)cs1 ZINC001232013194 1035042558 /nfs/dbraw/zinc/04/25/58/1035042558.db2.gz FTKOVSFLPYTONI-CEWLAPEOSA-N 2 1 398.532 3.667 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001160807265 1035070427 /nfs/dbraw/zinc/07/04/27/1035070427.db2.gz GTYWVVFEFCVRCL-QHCPKHFHSA-N 2 1 393.575 3.823 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc3ncccc3[nH]1)CC2 ZINC001232063380 1035072641 /nfs/dbraw/zinc/07/26/41/1035072641.db2.gz SPALRBCVOONUTJ-SFHVURJKSA-N 2 1 396.560 3.880 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]21 ZINC001208930974 1035095190 /nfs/dbraw/zinc/09/51/90/1035095190.db2.gz GKYASONNWIYNKC-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208930974 1035095198 /nfs/dbraw/zinc/09/51/98/1035095198.db2.gz GKYASONNWIYNKC-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C[C@H]21 ZINC001208930974 1035095209 /nfs/dbraw/zinc/09/52/09/1035095209.db2.gz GKYASONNWIYNKC-BHIFYINESA-N 2 1 399.579 3.840 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208933615 1035099542 /nfs/dbraw/zinc/09/95/42/1035099542.db2.gz FWJZIKVTGKPRMG-ZEQRLZLVSA-N 2 1 383.580 3.766 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208933615 1035099548 /nfs/dbraw/zinc/09/95/48/1035099548.db2.gz FWJZIKVTGKPRMG-ZEQRLZLVSA-N 2 1 383.580 3.766 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208933615 1035099555 /nfs/dbraw/zinc/09/95/55/1035099555.db2.gz FWJZIKVTGKPRMG-ZEQRLZLVSA-N 2 1 383.580 3.766 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208938979 1035106731 /nfs/dbraw/zinc/10/67/31/1035106731.db2.gz AOVNZCWHGSEZQV-GMAHTHKFSA-N 2 1 395.547 3.846 20 0 GHADMP COc1ccc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208938979 1035106737 /nfs/dbraw/zinc/10/67/37/1035106737.db2.gz AOVNZCWHGSEZQV-GMAHTHKFSA-N 2 1 395.547 3.846 20 0 GHADMP COc1ccc(O[C@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208938979 1035106741 /nfs/dbraw/zinc/10/67/41/1035106741.db2.gz AOVNZCWHGSEZQV-GMAHTHKFSA-N 2 1 395.547 3.846 20 0 GHADMP C[C@H]1CC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943248 1035112879 /nfs/dbraw/zinc/11/28/79/1035112879.db2.gz SLOYVMRRHBYOAG-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943248 1035112884 /nfs/dbraw/zinc/11/28/84/1035112884.db2.gz SLOYVMRRHBYOAG-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943248 1035112886 /nfs/dbraw/zinc/11/28/86/1035112886.db2.gz SLOYVMRRHBYOAG-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP C[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCN1C(=O)OC(C)(C)C ZINC001208943248 1035112891 /nfs/dbraw/zinc/11/28/91/1035112891.db2.gz SLOYVMRRHBYOAG-PZJWPPBQSA-N 2 1 387.568 3.840 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208946270 1035117139 /nfs/dbraw/zinc/11/71/39/1035117139.db2.gz TYDDVGSPZWCPQJ-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC001208946270 1035117144 /nfs/dbraw/zinc/11/71/44/1035117144.db2.gz TYDDVGSPZWCPQJ-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC001208946270 1035117146 /nfs/dbraw/zinc/11/71/46/1035117146.db2.gz TYDDVGSPZWCPQJ-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC001208946270 1035117150 /nfs/dbraw/zinc/11/71/50/1035117150.db2.gz TYDDVGSPZWCPQJ-FCHUYYIVSA-N 2 1 380.536 3.540 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)C2)cc1 ZINC001208946479 1035117345 /nfs/dbraw/zinc/11/73/45/1035117345.db2.gz QGVBQLMWYNEDJH-XZOQPEGZSA-N 2 1 384.564 3.559 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952090 1035123332 /nfs/dbraw/zinc/12/33/32/1035123332.db2.gz HBDJDYXNYSVUOT-GMKZXUHWSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952090 1035123334 /nfs/dbraw/zinc/12/33/34/1035123334.db2.gz HBDJDYXNYSVUOT-GMKZXUHWSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952090 1035123339 /nfs/dbraw/zinc/12/33/39/1035123339.db2.gz HBDJDYXNYSVUOT-GMKZXUHWSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208952100 1035123550 /nfs/dbraw/zinc/12/35/50/1035123550.db2.gz HBDJDYXNYSVUOT-YFNKSVMNSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208952100 1035123553 /nfs/dbraw/zinc/12/35/53/1035123553.db2.gz HBDJDYXNYSVUOT-YFNKSVMNSA-N 2 1 391.559 3.632 20 0 GHADMP NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH+]1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208952100 1035123555 /nfs/dbraw/zinc/12/35/55/1035123555.db2.gz HBDJDYXNYSVUOT-YFNKSVMNSA-N 2 1 391.559 3.632 20 0 GHADMP Fc1ccc(C[N@H+]2CCCN(C[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123587 /nfs/dbraw/zinc/12/35/87/1035123587.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(C[NH+]2CCCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123591 /nfs/dbraw/zinc/12/35/91/1035123591.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(C[NH+]2CCCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123595 /nfs/dbraw/zinc/12/35/95/1035123595.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(CN2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123598 /nfs/dbraw/zinc/12/35/98/1035123598.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(CN2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123602 /nfs/dbraw/zinc/12/36/02/1035123602.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(CN2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123605 /nfs/dbraw/zinc/12/36/05/1035123605.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 2 1 381.539 3.856 20 0 GHADMP Fc1ccc(CN2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208951718 1035123610 /nfs/dbraw/zinc/12/36/10/1035123610.db2.gz FCHPDQJUTNHAQM-HSZRJFAPSA-N 2 1 381.539 3.856 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C[C@H]2CC[NH+](Cc3ccccc3)C2)O1 ZINC001208951774 1035123999 /nfs/dbraw/zinc/12/39/99/1035123999.db2.gz MYPQEWGSPZUXTI-OLKYXYMISA-N 2 1 386.580 3.803 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[NH+]2C[C@H]2CC[N@H+](Cc3ccccc3)C2)O1 ZINC001208951774 1035124008 /nfs/dbraw/zinc/12/40/08/1035124008.db2.gz MYPQEWGSPZUXTI-OLKYXYMISA-N 2 1 386.580 3.803 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[NH+]2C[C@H]2CC[N@@H+](Cc3ccccc3)C2)O1 ZINC001208951774 1035124017 /nfs/dbraw/zinc/12/40/17/1035124017.db2.gz MYPQEWGSPZUXTI-OLKYXYMISA-N 2 1 386.580 3.803 20 0 GHADMP CN(C[C@H]1CC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952550 1035125920 /nfs/dbraw/zinc/12/59/20/1035125920.db2.gz KNIUDCFXPVBNMG-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@H]1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952550 1035125925 /nfs/dbraw/zinc/12/59/25/1035125925.db2.gz KNIUDCFXPVBNMG-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@H]1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1)C(=O)OC(C)(C)C ZINC001208952550 1035125927 /nfs/dbraw/zinc/12/59/27/1035125927.db2.gz KNIUDCFXPVBNMG-RTWAWAEBSA-N 2 1 387.568 3.697 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001209002344 1035145079 /nfs/dbraw/zinc/14/50/79/1035145079.db2.gz YRMDNGJYGISETA-AGJYPBCPSA-N 2 1 384.564 3.728 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001209002344 1035145082 /nfs/dbraw/zinc/14/50/82/1035145082.db2.gz YRMDNGJYGISETA-AGJYPBCPSA-N 2 1 384.564 3.728 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC001161161738 1035163093 /nfs/dbraw/zinc/16/30/93/1035163093.db2.gz ZEFBLWFECPKLFU-GOSISDBHSA-N 2 1 394.346 3.974 20 0 GHADMP COC(=O)c1cccc(C[NH+]2CCC(Nc3ccc4c([nH+]3)CCCC4)CC2)c1 ZINC001161171033 1035166222 /nfs/dbraw/zinc/16/62/22/1035166222.db2.gz CKUJVYJRKXYEIY-UHFFFAOYSA-N 2 1 379.504 3.824 20 0 GHADMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209120860 1035182487 /nfs/dbraw/zinc/18/24/87/1035182487.db2.gz NIFPMCUEKOCFLJ-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209120860 1035182492 /nfs/dbraw/zinc/18/24/92/1035182492.db2.gz NIFPMCUEKOCFLJ-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209120860 1035182495 /nfs/dbraw/zinc/18/24/95/1035182495.db2.gz NIFPMCUEKOCFLJ-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC001209120860 1035182501 /nfs/dbraw/zinc/18/25/01/1035182501.db2.gz NIFPMCUEKOCFLJ-UHFFFAOYSA-N 2 1 380.458 3.800 20 0 GHADMP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)C1 ZINC001161387601 1035219977 /nfs/dbraw/zinc/21/99/77/1035219977.db2.gz RNPAUUXBYWWOPY-CZUORRHYSA-N 2 1 394.302 3.767 20 0 GHADMP CC(C)(C)OC(=O)NCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001209362424 1035254496 /nfs/dbraw/zinc/25/44/96/1035254496.db2.gz HEBWWKAIWFGUQB-UHFFFAOYSA-N 2 1 391.556 3.872 20 0 GHADMP CCN(C)c1cc[nH+]c(NCC2(c3cccc(C(F)(F)F)c3)CC[NH2+]CC2)n1 ZINC001161577762 1035263512 /nfs/dbraw/zinc/26/35/12/1035263512.db2.gz TXZOUOCTDBTYCB-UHFFFAOYSA-N 2 1 393.457 3.685 20 0 GHADMP COC1CCC(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)CC1 ZINC001209394292 1035268636 /nfs/dbraw/zinc/26/86/36/1035268636.db2.gz YWWPFOAAHWPJDT-UHFFFAOYSA-N 2 1 375.557 3.927 20 0 GHADMP COCOc1cnc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1/C=C/[NH+](C)C ZINC001241503309 1035595933 /nfs/dbraw/zinc/59/59/33/1035595933.db2.gz NKURQJNJOBJTRG-FMIVXFBMSA-N 2 1 379.504 3.886 20 0 GHADMP C[NH+]1CCN(c2nc3ccccc3nc2C2=CC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001241501485 1035596023 /nfs/dbraw/zinc/59/60/23/1035596023.db2.gz IKXBKUKSDNPOHY-UHFFFAOYSA-N 2 1 399.542 3.671 20 0 GHADMP [NH3+]Cc1cccc(Cc2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)c1 ZINC001248173355 1035600619 /nfs/dbraw/zinc/60/06/19/1035600619.db2.gz OKDAOKPGHSTNJX-HXUWFJFHSA-N 2 1 389.434 3.657 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)cc(Br)c2)no1 ZINC001248194136 1035622738 /nfs/dbraw/zinc/62/27/38/1035622738.db2.gz GKKRLVKFTJCKGC-ZDUSSCGKSA-N 2 1 387.709 3.884 20 0 GHADMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC001278332439 1035632446 /nfs/dbraw/zinc/63/24/46/1035632446.db2.gz VPLXYYVYHFYZIL-IRXDYDNUSA-N 2 1 375.866 3.569 20 0 GHADMP C[NH+]1CCC(c2ccc(-c3cccc(C(=O)N4CC[NH+](C)CC4)c3)cc2)CC1 ZINC001241881621 1035739408 /nfs/dbraw/zinc/73/94/08/1035739408.db2.gz IGHHXLCVGITXNY-UHFFFAOYSA-N 2 1 377.532 3.550 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(-c4ccc(CN5CC[NH2+]CC5)cc4)ccc3C2)cc1 ZINC001241976510 1035771295 /nfs/dbraw/zinc/77/12/95/1035771295.db2.gz UNELWQFTZNSVEM-UHFFFAOYSA-N 2 1 398.554 3.712 20 0 GHADMP O[C@@H](C[NH2+]C[C@]1(CC2CC2)CCC[NH2+]1)COc1cccc2[nH]c3ccccc3c21 ZINC001246009455 1037129407 /nfs/dbraw/zinc/12/94/07/1037129407.db2.gz JZCVRKZGGHPRLM-MHECFPHRSA-N 2 1 393.531 3.573 20 0 GHADMP C[N@@H+](Cc1ccc(Oc2ccccc2)cc1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246047087 1037160769 /nfs/dbraw/zinc/16/07/69/1037160769.db2.gz SVUPOVAEGWMDLN-BJKOFHAPSA-N 2 1 376.500 3.842 20 0 GHADMP C[N@H+](Cc1ccc(Oc2ccccc2)cc1)C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246047087 1037160785 /nfs/dbraw/zinc/16/07/85/1037160785.db2.gz SVUPOVAEGWMDLN-BJKOFHAPSA-N 2 1 376.500 3.842 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246054346 1037168175 /nfs/dbraw/zinc/16/81/75/1037168175.db2.gz FTNZNZGMPRKDTC-ACRUOGEOSA-N 2 1 386.511 3.646 20 0 GHADMP C[C@H](c1ccccc1)[N@@H+](C[C@]1(O)CC[NH2+]C1)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001246058251 1037170619 /nfs/dbraw/zinc/17/06/19/1037170619.db2.gz DBNDHZBLDCJXPB-JFTIXFDTSA-N 2 1 380.532 3.522 20 0 GHADMP COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246064665 1037177788 /nfs/dbraw/zinc/17/77/88/1037177788.db2.gz FZAYVMOFWXITMY-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP COc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246068489 1037182968 /nfs/dbraw/zinc/18/29/68/1037182968.db2.gz SRAOBZGDYMCXFV-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP COc1cccc(OC[C@H](O)C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246069063 1037184092 /nfs/dbraw/zinc/18/40/92/1037184092.db2.gz KKUITIONIIASKO-YPAWHYETSA-N 2 1 398.547 3.515 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CC1 ZINC001246112719 1037198297 /nfs/dbraw/zinc/19/82/97/1037198297.db2.gz MHYOEXVLKAQFCG-VEDCXYSMSA-N 2 1 396.934 3.765 20 0 GHADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123889 1037204225 /nfs/dbraw/zinc/20/42/25/1037204225.db2.gz VHKKWVJMLDSLKS-OFNKIYASSA-N 3 1 395.566 3.848 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H](NCc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246165933 1037220982 /nfs/dbraw/zinc/22/09/82/1037220982.db2.gz MGRXJTJYJOVBMM-IRLDBZIGSA-N 2 1 382.527 3.579 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2cccnc2C2CC[NH2+]CC2)CC[NH2+]1 ZINC001246165933 1037220993 /nfs/dbraw/zinc/22/09/93/1037220993.db2.gz MGRXJTJYJOVBMM-IRLDBZIGSA-N 3 1 382.527 3.579 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([NH2+]CC3CC[NH+](Cc4ccccc4)CC3)CCN2)cc1 ZINC001246170582 1037222347 /nfs/dbraw/zinc/22/23/47/1037222347.db2.gz MCXVZIHROMHXCV-DQEYMECFSA-N 2 1 377.576 3.852 20 0 GHADMP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCc1ccccc1 ZINC001246190552 1037229784 /nfs/dbraw/zinc/22/97/84/1037229784.db2.gz FYGAEBQJEQORKM-KURKYZTESA-N 2 1 386.458 3.938 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)cc1 ZINC001246190708 1037229856 /nfs/dbraw/zinc/22/98/56/1037229856.db2.gz MFJSVPNIQRQSPO-RBBKRZOGSA-N 2 1 384.495 3.823 20 0 GHADMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001246200372 1037235172 /nfs/dbraw/zinc/23/51/72/1037235172.db2.gz DTDWNCIXUJQVIP-CBNMVNINSA-N 2 1 390.568 3.943 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246209000 1037240720 /nfs/dbraw/zinc/24/07/20/1037240720.db2.gz KSEBAFLJNDBKBF-ZJOUEHCJSA-N 2 1 376.903 3.774 20 0 GHADMP CC[NH2+]CCN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246272045 1037269547 /nfs/dbraw/zinc/26/95/47/1037269547.db2.gz KNURZCRZXXLWOO-UBFVSLLYSA-N 2 1 377.576 3.951 20 0 GHADMP COc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246274102 1037271937 /nfs/dbraw/zinc/27/19/37/1037271937.db2.gz RZGVQXWTMJIPCU-OALUTQOASA-N 2 1 389.337 3.911 20 0 GHADMP OC[C@@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC001246311991 1037290112 /nfs/dbraw/zinc/29/01/12/1037290112.db2.gz BJIQABUICQLUNR-XUVXKRRUSA-N 2 1 378.438 3.692 20 0 GHADMP C[C@H]1CC[C@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)C[NH2+]1 ZINC001246310178 1037290542 /nfs/dbraw/zinc/29/05/42/1037290542.db2.gz FWNMKDPIKSBBPZ-XJABCFGWSA-N 2 1 391.515 3.568 20 0 GHADMP C[C@H]1CC(NCc2ccccc2N2CC[NH2+]CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246315054 1037293119 /nfs/dbraw/zinc/29/31/19/1037293119.db2.gz FVGGSDRLQYOREZ-SFTDATJTSA-N 2 1 392.591 3.627 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]CCC2CCC3(CC2)OCCO3)CC[NH2+]1 ZINC001246316519 1037293161 /nfs/dbraw/zinc/29/31/61/1037293161.db2.gz HAFYMTPZSLYGIX-PZJWPPBQSA-N 2 1 376.516 3.840 20 0 GHADMP Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)[NH2+][C@@H]3CC[NH2+]C(C)(C)C3)ccc12 ZINC001246348411 1037307380 /nfs/dbraw/zinc/30/73/80/1037307380.db2.gz FTQXACXPPQOZJL-MJGOQNOKSA-N 2 1 399.535 3.575 20 0 GHADMP COc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360011 1037319295 /nfs/dbraw/zinc/31/92/95/1037319295.db2.gz DKNHDLLBTRXZFV-ZFGGDYGUSA-N 2 1 397.538 3.800 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)cc1 ZINC001246360011 1037319312 /nfs/dbraw/zinc/31/93/12/1037319312.db2.gz DKNHDLLBTRXZFV-ZFGGDYGUSA-N 2 1 397.538 3.800 20 0 GHADMP CCOC(=O)N1CCC[C@H]([NH2+]C2(c3ccccc3Cl)CC[NH2+]CC2)CC1 ZINC001246374775 1037332573 /nfs/dbraw/zinc/33/25/73/1037332573.db2.gz LTCCOBSRYMOYEL-INIZCTEOSA-N 2 1 379.932 3.519 20 0 GHADMP COc1cccc(C2(N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC[NH2+]CC2)c1 ZINC001246413981 1037369879 /nfs/dbraw/zinc/36/98/79/1037369879.db2.gz HQOTVGOBKSULTD-OFNKIYASSA-N 2 1 393.575 3.917 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC1)C2 ZINC001246420418 1037377620 /nfs/dbraw/zinc/37/76/20/1037377620.db2.gz XGAFGSJSPMDMCM-OWZKRDHZSA-N 3 1 395.513 3.932 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC1)C2 ZINC001246420418 1037377641 /nfs/dbraw/zinc/37/76/41/1037377641.db2.gz XGAFGSJSPMDMCM-OWZKRDHZSA-N 2 1 395.513 3.932 20 0 GHADMP COc1ccccc1CC1(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246421419 1037378977 /nfs/dbraw/zinc/37/89/77/1037378977.db2.gz RULMHKZZQRRVHY-NRFANRHFSA-N 3 1 385.596 3.604 20 0 GHADMP COc1ccccc1CC1(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC001246421419 1037378998 /nfs/dbraw/zinc/37/89/98/1037378998.db2.gz RULMHKZZQRRVHY-NRFANRHFSA-N 3 1 385.596 3.604 20 0 GHADMP Fc1ccccc1C1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC001246433390 1037395725 /nfs/dbraw/zinc/39/57/25/1037395725.db2.gz BSMKSYRYFGIZAD-UHFFFAOYSA-N 2 1 395.566 3.744 20 0 GHADMP CC(C)[C@@H]1C[C@H]([NH+]2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246435729 1037398296 /nfs/dbraw/zinc/39/82/96/1037398296.db2.gz KPACELIGBBKKEH-MOPGFXCFSA-N 3 1 383.502 3.818 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2(c3ccccc3F)CC[NH2+]CC2)cc1 ZINC001246436633 1037399100 /nfs/dbraw/zinc/39/91/00/1037399100.db2.gz LICAZJFLCIEYNF-QGZVFWFLSA-N 2 1 384.495 3.802 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246452189 1037411612 /nfs/dbraw/zinc/41/16/12/1037411612.db2.gz CSLGYIWISFAVQF-GMAHTHKFSA-N 2 1 381.539 3.882 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246505372 1037446272 /nfs/dbraw/zinc/44/62/72/1037446272.db2.gz VHFBUJPYBWESEA-HVHOJJEHSA-N 2 1 377.576 3.850 20 0 GHADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246505372 1037446289 /nfs/dbraw/zinc/44/62/89/1037446289.db2.gz VHFBUJPYBWESEA-HVHOJJEHSA-N 2 1 377.576 3.850 20 0 GHADMP C[NH2+]CCN(C)[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246523008 1037454452 /nfs/dbraw/zinc/45/44/52/1037454452.db2.gz LACYJBRYTCYFGO-ISJGIBHGSA-N 2 1 377.576 3.903 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246551620 1037477618 /nfs/dbraw/zinc/47/76/18/1037477618.db2.gz LSCGYGWOKZGVTN-VEDCXYSMSA-N 2 1 378.944 3.897 20 0 GHADMP CCOC(=O)Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)CC2 ZINC001246586873 1037490229 /nfs/dbraw/zinc/49/02/29/1037490229.db2.gz PJINBBLLXJFBSF-RPWUZVMVSA-N 2 1 392.543 3.514 20 0 GHADMP Brc1ccc(N2CCC([N@H+]3CCC[C@@]34CCC[NH2+]C4)CC2)cc1 ZINC001246611551 1037501467 /nfs/dbraw/zinc/50/14/67/1037501467.db2.gz UKVHULPNBSVUQO-LJQANCHMSA-N 2 1 378.358 3.636 20 0 GHADMP c1ccc(COc2ccc3c(c2)C[C@@H]([N@H+]2CCOC4(CC[NH2+]CC4)C2)CC3)cc1 ZINC001246608064 1037502147 /nfs/dbraw/zinc/50/21/47/1037502147.db2.gz VRPHUJVCEGXEDA-QHCPKHFHSA-N 2 1 392.543 3.577 20 0 GHADMP CC(C)N1CCC([N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617058 1037505806 /nfs/dbraw/zinc/50/58/06/1037505806.db2.gz FKBHXKAHRBQHQN-QHCPKHFHSA-N 2 1 385.596 3.663 20 0 GHADMP CC(C)N1CCC([N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617058 1037505820 /nfs/dbraw/zinc/50/58/20/1037505820.db2.gz FKBHXKAHRBQHQN-QHCPKHFHSA-N 2 1 385.596 3.663 20 0 GHADMP C[C@H](Cc1cccnc1)[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246617715 1037506798 /nfs/dbraw/zinc/50/67/98/1037506798.db2.gz FWSMRRCHMCQMGI-NFBKMPQASA-N 2 1 379.548 3.816 20 0 GHADMP COc1ccc2cc(CC[C@H](C)[N@H+]3CCOCC4(CC[NH2+]CC4)C3)ccc2c1 ZINC001246615805 1037507729 /nfs/dbraw/zinc/50/77/29/1037507729.db2.gz SRAAYACQDAOALN-IBGZPJMESA-N 2 1 382.548 3.872 20 0 GHADMP CC(C)N1CCC([N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617057 1037508131 /nfs/dbraw/zinc/50/81/31/1037508131.db2.gz FKBHXKAHRBQHQN-HSZRJFAPSA-N 2 1 385.596 3.663 20 0 GHADMP CC(C)N1CCC([N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001246617057 1037508147 /nfs/dbraw/zinc/50/81/47/1037508147.db2.gz FKBHXKAHRBQHQN-HSZRJFAPSA-N 2 1 385.596 3.663 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001246631439 1037518932 /nfs/dbraw/zinc/51/89/32/1037518932.db2.gz OZWSNOLXWMNJSA-LJQANCHMSA-N 2 1 398.497 3.968 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001246631439 1037518956 /nfs/dbraw/zinc/51/89/56/1037518956.db2.gz OZWSNOLXWMNJSA-LJQANCHMSA-N 2 1 398.497 3.968 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001246670503 1037536681 /nfs/dbraw/zinc/53/66/81/1037536681.db2.gz DRHUTYTYGPQNAV-ILSIFQBBSA-N 2 1 396.575 3.968 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)CO2 ZINC001246672970 1037538029 /nfs/dbraw/zinc/53/80/29/1037538029.db2.gz NIHZKUSKGVIOOJ-RRPUWOKSSA-N 2 1 382.935 3.897 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C1)CO2 ZINC001246672970 1037538039 /nfs/dbraw/zinc/53/80/39/1037538039.db2.gz NIHZKUSKGVIOOJ-RRPUWOKSSA-N 2 1 382.935 3.897 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246675117 1037539702 /nfs/dbraw/zinc/53/97/02/1037539702.db2.gz VZHDFUXVYNXTAU-QUMGSSFMSA-N 3 1 389.587 3.603 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246675117 1037539711 /nfs/dbraw/zinc/53/97/11/1037539711.db2.gz VZHDFUXVYNXTAU-QUMGSSFMSA-N 3 1 389.587 3.603 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246675113 1037539837 /nfs/dbraw/zinc/53/98/37/1037539837.db2.gz VZHDFUXVYNXTAU-BKKFENPESA-N 3 1 389.587 3.603 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)CC[NH2+]2)cc1 ZINC001246675113 1037539857 /nfs/dbraw/zinc/53/98/57/1037539857.db2.gz VZHDFUXVYNXTAU-BKKFENPESA-N 3 1 389.587 3.603 20 0 GHADMP CC(C)[C@@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC[NH2+]1 ZINC001246674105 1037540416 /nfs/dbraw/zinc/54/04/16/1037540416.db2.gz NLHYVSUKGSKSPI-LMCOJAPRSA-N 2 1 382.527 3.574 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC001462194383 1070072138 /nfs/dbraw/zinc/07/21/38/1070072138.db2.gz ZOUPOIIKORKYPF-UHFFFAOYSA-N 2 1 399.539 3.907 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC001462194383 1070072155 /nfs/dbraw/zinc/07/21/55/1070072155.db2.gz ZOUPOIIKORKYPF-UHFFFAOYSA-N 2 1 399.539 3.907 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CC2 ZINC001246686714 1037547339 /nfs/dbraw/zinc/54/73/39/1037547339.db2.gz SKIXWVAOVCSGMQ-SJFJGFQUSA-N 2 1 382.548 3.578 20 0 GHADMP CCOC(=O)C1(C)CCC([N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)CC1 ZINC001246684655 1037548471 /nfs/dbraw/zinc/54/84/71/1037548471.db2.gz MTQGPVJCWQJURY-UHIMYIODSA-N 2 1 384.564 3.752 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+]([C@H]2CCC4(C2)CC[NH2+]CC4)CC3)c1 ZINC001246696035 1037552644 /nfs/dbraw/zinc/55/26/44/1037552644.db2.gz PZCMIJJUPANMFH-IBGZPJMESA-N 2 1 380.511 3.606 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CC[NH2+]1 ZINC001246712641 1037564780 /nfs/dbraw/zinc/56/47/80/1037564780.db2.gz XKXXDLPRRJCPLI-YYTDSSBASA-N 2 1 387.568 3.642 20 0 GHADMP c1ccc(N2CCC[C@]3(C2)C[N@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)cc1 ZINC001246714065 1037564891 /nfs/dbraw/zinc/56/48/91/1037564891.db2.gz IOPAUVQSWUPNPY-UPVQGACJSA-N 2 1 383.580 3.813 20 0 GHADMP c1ccc(N2CCC[C@]3(C2)C[N@@H+]([C@H]2CC[NH2+]C4(CCCCC4)C2)CCO3)cc1 ZINC001246714065 1037564911 /nfs/dbraw/zinc/56/49/11/1037564911.db2.gz IOPAUVQSWUPNPY-UPVQGACJSA-N 2 1 383.580 3.813 20 0 GHADMP CC[C@@H]1[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246726717 1037574387 /nfs/dbraw/zinc/57/43/87/1037574387.db2.gz SUSYWFJVLMEXDQ-KGLJTUJHSA-N 2 1 387.612 3.944 20 0 GHADMP Clc1cccc2c1C[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCC4)c3C1)CC2 ZINC001246730141 1037578328 /nfs/dbraw/zinc/57/83/28/1037578328.db2.gz GUKHYUCEMPTYPF-GOSISDBHSA-N 2 1 384.955 3.942 20 0 GHADMP Cc1cccc(N2C[C@@]3(CC[N@H+](C4CCC5(CCC[NH2+]C5)CC4)C3)CC2=O)c1 ZINC001246748932 1037589084 /nfs/dbraw/zinc/58/90/84/1037589084.db2.gz PSNLBBFSFFWUAJ-BOYUCYPVSA-N 2 1 381.564 3.736 20 0 GHADMP CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc21 ZINC001246751410 1037590481 /nfs/dbraw/zinc/59/04/81/1037590481.db2.gz GINQUKQRHZWRGU-RTWAWAEBSA-N 2 1 397.607 3.908 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C[C@H]21 ZINC001246751102 1037590679 /nfs/dbraw/zinc/59/06/79/1037590679.db2.gz DYBZYKIEMOLUAE-CTNGQTDRSA-N 2 1 390.575 3.971 20 0 GHADMP O=C(C[C@H]1CC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc21)NC1CCC1 ZINC001246759142 1037602421 /nfs/dbraw/zinc/60/24/21/1037602421.db2.gz YAKKMYFOTPOKNB-PZJWPPBQSA-N 2 1 395.591 3.708 20 0 GHADMP Clc1cccc2c1C[C@@H]([N@@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246769386 1037610695 /nfs/dbraw/zinc/61/06/95/1037610695.db2.gz HTIJNPGUPNGJQJ-SFHVURJKSA-N 2 1 384.955 3.942 20 0 GHADMP Clc1cccc2c1C[C@@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)C2 ZINC001246769386 1037610706 /nfs/dbraw/zinc/61/07/06/1037610706.db2.gz HTIJNPGUPNGJQJ-SFHVURJKSA-N 2 1 384.955 3.942 20 0 GHADMP N[C@@H]1C[N@@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1F ZINC001246818348 1037649781 /nfs/dbraw/zinc/64/97/81/1037649781.db2.gz BRDXGXBURTXXBP-STTLMXHVSA-N 2 1 381.539 3.981 20 0 GHADMP N[C@@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)C[C@@H]1F ZINC001246818348 1037649812 /nfs/dbraw/zinc/64/98/12/1037649812.db2.gz BRDXGXBURTXXBP-STTLMXHVSA-N 2 1 381.539 3.981 20 0 GHADMP Fc1ccc(C[N@H+]2CCCN([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823230 1037654688 /nfs/dbraw/zinc/65/46/88/1037654688.db2.gz OROSRIGVQIKKHL-RPWUZVMVSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CN2CCC[N@@H+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823230 1037654698 /nfs/dbraw/zinc/65/46/98/1037654698.db2.gz OROSRIGVQIKKHL-RPWUZVMVSA-N 2 1 381.539 3.697 20 0 GHADMP Fc1ccc(CN2CCC[N@H+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246823230 1037654716 /nfs/dbraw/zinc/65/47/16/1037654716.db2.gz OROSRIGVQIKKHL-RPWUZVMVSA-N 2 1 381.539 3.697 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)C[C@H](CC)[NH2+]1 ZINC001246839590 1037667653 /nfs/dbraw/zinc/66/76/53/1037667653.db2.gz YICPCFRLSYOTFT-CDJZJNNCSA-N 2 1 385.552 3.781 20 0 GHADMP CC1(C)COC2(CCC([N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)OC1 ZINC001246857618 1037680717 /nfs/dbraw/zinc/68/07/17/1037680717.db2.gz BCKMNQAAFOQIIM-UHFFFAOYSA-N 2 1 384.564 3.835 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC[NH2+]1 ZINC001246910059 1037717634 /nfs/dbraw/zinc/71/76/34/1037717634.db2.gz JFLNOEOADOQTDH-CVEARBPZSA-N 2 1 398.020 3.675 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CCCN(c3cc(Cl)nc(SC)n3)CC2)CC[NH2+]1 ZINC001246910059 1037717651 /nfs/dbraw/zinc/71/76/51/1037717651.db2.gz JFLNOEOADOQTDH-CVEARBPZSA-N 2 1 398.020 3.675 20 0 GHADMP O=C1C[C@@H]([N@@H+](Cc2ccccc2)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC001246935752 1037739324 /nfs/dbraw/zinc/73/93/24/1037739324.db2.gz WUKUQWFQMDLMKL-MBDJBHLASA-N 2 1 389.543 3.573 20 0 GHADMP c1ccc([C@@H]2CCC[C@@H]([N@@H+](CCCN3CCOCC3)CC3CC[NH2+]CC3)C2)cc1 ZINC001246942294 1037746690 /nfs/dbraw/zinc/74/66/90/1037746690.db2.gz JKQCLJUNYROMHH-JWQCQUIFSA-N 2 1 399.623 3.737 20 0 GHADMP COC(=O)C1(C)CCC([N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)CC1 ZINC001246941890 1037747565 /nfs/dbraw/zinc/74/75/65/1037747565.db2.gz IWLPFSTZQSDJQV-UHFFFAOYSA-N 2 1 376.516 3.749 20 0 GHADMP CCOCC[N@@H+](C1CC[NH2+]CC1)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246949984 1037753393 /nfs/dbraw/zinc/75/33/93/1037753393.db2.gz NLUVTZPTIZXZFF-UHFFFAOYSA-N 2 1 394.600 3.569 20 0 GHADMP COC(=O)CC1CCC([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246954646 1037761721 /nfs/dbraw/zinc/76/17/21/1037761721.db2.gz IVYIDUQQQFCPEM-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246954646 1037761744 /nfs/dbraw/zinc/76/17/44/1037761744.db2.gz IVYIDUQQQFCPEM-UHFFFAOYSA-N 2 1 380.479 3.641 20 0 GHADMP Fc1ccc(CN(C2CC[NH2+]CC2)[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1F ZINC001246954119 1037762731 /nfs/dbraw/zinc/76/27/31/1037762731.db2.gz GRRCMVSESUBZKW-HXUWFJFHSA-N 2 1 377.523 3.926 20 0 GHADMP Fc1ccc(CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246954539 1037763412 /nfs/dbraw/zinc/76/34/12/1037763412.db2.gz HWLIBRVAYJEUIB-JOCHJYFZSA-N 2 1 385.502 3.793 20 0 GHADMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246955544 1037764325 /nfs/dbraw/zinc/76/43/25/1037764325.db2.gz NSDZIQGOYIXQCW-MAUKXSAKSA-N 2 1 380.479 3.641 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246957586 1037770628 /nfs/dbraw/zinc/77/06/28/1037770628.db2.gz BRZAPYGSNXIYJA-LIONHTAISA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246957586 1037770646 /nfs/dbraw/zinc/77/06/46/1037770646.db2.gz BRZAPYGSNXIYJA-LIONHTAISA-N 2 1 375.560 3.556 20 0 GHADMP c1ccc(C[C@@H]2C[C@H](N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246957586 1037770661 /nfs/dbraw/zinc/77/06/61/1037770661.db2.gz BRZAPYGSNXIYJA-LIONHTAISA-N 2 1 375.560 3.556 20 0 GHADMP Cc1cc(F)ccc1CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC001246958698 1037772378 /nfs/dbraw/zinc/77/23/78/1037772378.db2.gz FYTBKFIZBAQWQI-XMMPIXPASA-N 2 1 381.539 3.963 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001246959957 1037776495 /nfs/dbraw/zinc/77/64/95/1037776495.db2.gz UWHWBVRWHVGSQI-QGZVFWFLSA-N 2 1 384.495 3.798 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3ccc(C)cc3C2)c1 ZINC001246959746 1037776601 /nfs/dbraw/zinc/77/66/01/1037776601.db2.gz SGSSKBJFLYWEJX-XMMPIXPASA-N 2 1 392.543 3.893 20 0 GHADMP CC[C@H](C)OCC[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246959358 1037778764 /nfs/dbraw/zinc/77/87/64/1037778764.db2.gz ROZAGMDQCQFBCY-ROUUACIJSA-N 2 1 376.541 3.621 20 0 GHADMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1)C2 ZINC001246960793 1037779733 /nfs/dbraw/zinc/77/97/33/1037779733.db2.gz ODEDGFDRBIBXFS-HXUWFJFHSA-N 2 1 384.495 3.564 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)[nH+]1 ZINC001246960665 1037781048 /nfs/dbraw/zinc/78/10/48/1037781048.db2.gz MJMUPWQXJIQIHH-IRLDBZIGSA-N 3 1 382.527 3.889 20 0 GHADMP COc1ccc(CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1F ZINC001246962074 1037783452 /nfs/dbraw/zinc/78/34/52/1037783452.db2.gz HWVVSECVIRPIQA-JOCHJYFZSA-N 2 1 397.538 3.663 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246967516 1037790199 /nfs/dbraw/zinc/79/01/99/1037790199.db2.gz FGEWDSWPOZNWRJ-SFHLNBCPSA-N 2 1 399.510 3.874 20 0 GHADMP COc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccc(F)cc4C)C3)C2)n1 ZINC001246967516 1037790212 /nfs/dbraw/zinc/79/02/12/1037790212.db2.gz FGEWDSWPOZNWRJ-SFHLNBCPSA-N 2 1 399.510 3.874 20 0 GHADMP Brc1cccc(O[C@@H]2CC[N@H+]([C@H]3CCC[C@]4(CC[NH2+]C4)C3)C2)c1 ZINC001246989073 1037814431 /nfs/dbraw/zinc/81/44/31/1037814431.db2.gz LGRLLFCZDOSRPD-UHOSZYNNSA-N 2 1 379.342 3.825 20 0 GHADMP CCOC(=O)[C@@H]1C[N@H+]([C@@H](C)CC(C)(C)SCc2ccco2)CCC12C[NH2+]C2 ZINC001247010890 1037834643 /nfs/dbraw/zinc/83/46/43/1037834643.db2.gz WLAYOTGGYBYKOZ-WMZOPIPTSA-N 2 1 394.581 3.545 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4nccnc34)C[C@@H]21 ZINC001232544687 1038311780 /nfs/dbraw/zinc/31/17/80/1038311780.db2.gz BJSAVMGGIGVFHD-ZYSHUDEJSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4nccnc34)C[C@@H]21 ZINC001232544687 1038311796 /nfs/dbraw/zinc/31/17/96/1038311796.db2.gz BJSAVMGGIGVFHD-ZYSHUDEJSA-N 2 1 381.549 3.704 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4nccnc34)C[C@@H]21 ZINC001232544687 1038311808 /nfs/dbraw/zinc/31/18/08/1038311808.db2.gz BJSAVMGGIGVFHD-ZYSHUDEJSA-N 2 1 381.549 3.704 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2Br)no1 ZINC001247692228 1038331061 /nfs/dbraw/zinc/33/10/61/1038331061.db2.gz BQFIANRHQACLJQ-NSHDSACASA-N 2 1 393.207 3.647 20 0 GHADMP COc1ccc2c(cccc2-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247904044 1038475572 /nfs/dbraw/zinc/47/55/72/1038475572.db2.gz CRDBXEPKPSFIMY-KRWDZBQOSA-N 2 1 392.503 3.830 20 0 GHADMP FC(F)(F)c1cccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247908404 1038482034 /nfs/dbraw/zinc/48/20/34/1038482034.db2.gz ZKLRISNJADVVRY-AWEZNQCLSA-N 2 1 380.414 3.687 20 0 GHADMP Fc1cc(-c2noc([C@@H]3C[C@]34CCC[NH2+]CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247924918 1038500692 /nfs/dbraw/zinc/50/06/92/1038500692.db2.gz INRZBAGSSBAIKO-LRXVAGHRSA-N 2 1 393.466 3.855 20 0 GHADMP CC(C)(O)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834515 1038587596 /nfs/dbraw/zinc/58/75/96/1038587596.db2.gz VPXBCKZOWKNJJX-YADHBBJMSA-N 2 1 379.548 3.653 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834515 1038587603 /nfs/dbraw/zinc/58/76/03/1038587603.db2.gz VPXBCKZOWKNJJX-YADHBBJMSA-N 2 1 379.548 3.653 20 0 GHADMP CC(C)(O)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001232834515 1038587606 /nfs/dbraw/zinc/58/76/06/1038587606.db2.gz VPXBCKZOWKNJJX-YADHBBJMSA-N 2 1 379.548 3.653 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3ncoc3c1)CC2 ZINC001232941229 1038721018 /nfs/dbraw/zinc/72/10/18/1038721018.db2.gz VEBVQSVUOVQJEV-SFHVURJKSA-N 2 1 381.476 3.676 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(Cl)ncc3[O-])C[C@@H]21 ZINC001233035623 1038790068 /nfs/dbraw/zinc/79/00/68/1038790068.db2.gz HBQMVYCPMBZITB-ZYSHUDEJSA-N 2 1 386.927 3.568 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ncc3[O-])C[C@@H]21 ZINC001233035623 1038790081 /nfs/dbraw/zinc/79/00/81/1038790081.db2.gz HBQMVYCPMBZITB-ZYSHUDEJSA-N 2 1 386.927 3.568 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ncc3[O-])C[C@@H]21 ZINC001233035623 1038790097 /nfs/dbraw/zinc/79/00/97/1038790097.db2.gz HBQMVYCPMBZITB-ZYSHUDEJSA-N 2 1 386.927 3.568 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001252063871 1038839262 /nfs/dbraw/zinc/83/92/62/1038839262.db2.gz WLKSAONDMBPFEI-TXTKFYIRSA-N 2 1 398.595 3.544 20 0 GHADMP CCCCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001252536282 1039025498 /nfs/dbraw/zinc/02/54/98/1039025498.db2.gz VNKYESADGYKFDO-SDHSZQHLSA-N 2 1 396.575 3.812 20 0 GHADMP O[C@H](COCc1ccco1)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001252646303 1039064363 /nfs/dbraw/zinc/06/43/63/1039064363.db2.gz ZEQPTINLIZKLNQ-QFIPXVFZSA-N 2 1 398.547 3.535 20 0 GHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252761893 1039151205 /nfs/dbraw/zinc/15/12/05/1039151205.db2.gz XLCRXLLYJMIRQS-GMAHTHKFSA-N 2 1 396.575 3.836 20 0 GHADMP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001252761892 1039151632 /nfs/dbraw/zinc/15/16/32/1039151632.db2.gz XLCRXLLYJMIRQS-GGAORHGYSA-N 2 1 396.575 3.836 20 0 GHADMP O[C@]1(C[NH2+]CCc2ccc(Cl)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC001252943155 1039287537 /nfs/dbraw/zinc/28/75/37/1039287537.db2.gz FUSOVDVOLAUJPX-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@]1(C[NH2+]CCc2ccc(Cl)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943155 1039287556 /nfs/dbraw/zinc/28/75/56/1039287556.db2.gz FUSOVDVOLAUJPX-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@]1(C[NH2+]CCc2ccc(Cl)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC001252943527 1039287976 /nfs/dbraw/zinc/28/79/76/1039287976.db2.gz LIWLDTJWTGJKNI-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@]1(C[NH2+]CCc2ccc(Cl)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943527 1039287987 /nfs/dbraw/zinc/28/79/87/1039287987.db2.gz LIWLDTJWTGJKNI-FQEVSTJZSA-N 2 1 379.331 3.763 20 0 GHADMP O[C@@]1(C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948018 1039291229 /nfs/dbraw/zinc/29/12/29/1039291229.db2.gz IFNUOMCLYLDLIH-DNQXCXABSA-N 2 1 398.522 3.520 20 0 GHADMP O[C@@]1(C[NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948018 1039291242 /nfs/dbraw/zinc/29/12/42/1039291242.db2.gz IFNUOMCLYLDLIH-DNQXCXABSA-N 2 1 398.522 3.520 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC001233492097 1039385189 /nfs/dbraw/zinc/38/51/89/1039385189.db2.gz XMNKMQJIUJOMJL-UHFFFAOYSA-N 2 1 382.504 3.578 20 0 GHADMP COC(=O)c1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC001233492097 1039385207 /nfs/dbraw/zinc/38/52/07/1039385207.db2.gz XMNKMQJIUJOMJL-UHFFFAOYSA-N 2 1 382.504 3.578 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1OC ZINC001233518020 1039405247 /nfs/dbraw/zinc/40/52/47/1039405247.db2.gz LILJRUCODZWBSO-UHFFFAOYSA-N 2 1 398.503 3.563 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001253104377 1039426977 /nfs/dbraw/zinc/42/69/77/1039426977.db2.gz RHUWSVPIXABMCG-XOKHGSTOSA-N 2 1 382.346 3.629 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001254119416 1039996911 /nfs/dbraw/zinc/99/69/11/1039996911.db2.gz YIUUMUCWXIVGFO-PUHATCMVSA-N 2 1 398.595 3.699 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001254296700 1040147142 /nfs/dbraw/zinc/14/71/42/1040147142.db2.gz DUDUHHYMMBDALZ-LJQANCHMSA-N 2 1 391.531 3.865 20 0 GHADMP COc1cc(Cl)ncc1CN1CCC2(CN(Cc3scnc3C)C2)CC1 ZINC001278785993 1040240582 /nfs/dbraw/zinc/24/05/82/1040240582.db2.gz ZNFGGURVGANFCY-UHFFFAOYSA-N 2 1 392.956 3.607 20 0 GHADMP CCOC(=O)C1CC[NH+](C2CC[NH+](C3CCc4ccccc4CC3)CC2)CC1 ZINC001254458635 1040245513 /nfs/dbraw/zinc/24/55/13/1040245513.db2.gz QSACWKFCJIUXFL-UHFFFAOYSA-N 2 1 384.564 3.674 20 0 GHADMP C[N@@H+]1CCC[C@@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001254518170 1040292465 /nfs/dbraw/zinc/29/24/65/1040292465.db2.gz LAHZHEPDHCVFTB-GOSISDBHSA-N 2 1 375.582 3.551 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001254518170 1040292477 /nfs/dbraw/zinc/29/24/77/1040292477.db2.gz LAHZHEPDHCVFTB-GOSISDBHSA-N 2 1 375.582 3.551 20 0 GHADMP C[N@@H+]1CCC[C@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001254518176 1040293672 /nfs/dbraw/zinc/29/36/72/1040293672.db2.gz LAHZHEPDHCVFTB-SFHVURJKSA-N 2 1 375.582 3.551 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)CC1 ZINC001254518176 1040293688 /nfs/dbraw/zinc/29/36/88/1040293688.db2.gz LAHZHEPDHCVFTB-SFHVURJKSA-N 2 1 375.582 3.551 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001254520623 1040295297 /nfs/dbraw/zinc/29/52/97/1040295297.db2.gz OUEFWPKELAFISL-GGPKGHCWSA-N 2 1 385.552 3.941 20 0 GHADMP C[NH+]1CCC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001254520623 1040295316 /nfs/dbraw/zinc/29/53/16/1040295316.db2.gz OUEFWPKELAFISL-GGPKGHCWSA-N 2 1 385.552 3.941 20 0 GHADMP C[NH+]1CCC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc4[C@H]3C2)CC1 ZINC001254520623 1040295335 /nfs/dbraw/zinc/29/53/35/1040295335.db2.gz OUEFWPKELAFISL-GGPKGHCWSA-N 2 1 385.552 3.941 20 0 GHADMP COC(=O)c1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1OC ZINC001234963761 1040466957 /nfs/dbraw/zinc/46/69/57/1040466957.db2.gz GPVLRHKTYQVKGZ-XMMPIXPASA-N 2 1 394.515 3.580 20 0 GHADMP FC(F)(F)c1ccccc1-c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234987797 1040483243 /nfs/dbraw/zinc/48/32/43/1040483243.db2.gz ODISATIQCMXXPV-HXUWFJFHSA-N 2 1 375.438 3.510 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001254767182 1040528877 /nfs/dbraw/zinc/52/88/77/1040528877.db2.gz QILVTWLNCMQDTA-ZWKOTPCHSA-N 2 1 377.573 3.773 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001254767182 1040528898 /nfs/dbraw/zinc/52/88/98/1040528898.db2.gz QILVTWLNCMQDTA-ZWKOTPCHSA-N 2 1 377.573 3.773 20 0 GHADMP Cn1cc(C[N@H+]2CCCC23CCN(Cc2cccc(N4CCCC4)c2)CC3)cn1 ZINC001235086921 1040574280 /nfs/dbraw/zinc/57/42/80/1040574280.db2.gz WSUMGXXACWUFNP-UHFFFAOYSA-N 2 1 393.579 3.651 20 0 GHADMP FC(F)Oc1cccc(Br)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092269 1040581548 /nfs/dbraw/zinc/58/15/48/1040581548.db2.gz KFEOXHPZVONZSQ-UHFFFAOYSA-N 2 1 375.257 3.626 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001235166225 1040657337 /nfs/dbraw/zinc/65/73/37/1040657337.db2.gz PEEWLCHDQIMPQX-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001235166225 1040657347 /nfs/dbraw/zinc/65/73/47/1040657347.db2.gz PEEWLCHDQIMPQX-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001235166225 1040657358 /nfs/dbraw/zinc/65/73/58/1040657358.db2.gz PEEWLCHDQIMPQX-IRLDBZIGSA-N 2 1 386.584 3.605 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912197 1040663322 /nfs/dbraw/zinc/66/33/22/1040663322.db2.gz AUTYVEPYWFHDOR-LUYSREMJSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912197 1040663323 /nfs/dbraw/zinc/66/33/23/1040663323.db2.gz AUTYVEPYWFHDOR-LUYSREMJSA-N 2 1 391.600 3.971 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254912197 1040663328 /nfs/dbraw/zinc/66/33/28/1040663328.db2.gz AUTYVEPYWFHDOR-LUYSREMJSA-N 2 1 391.600 3.971 20 0 GHADMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](Cc1ccc(C3CCCCC3)cc1)C2 ZINC001235336243 1040807331 /nfs/dbraw/zinc/80/73/31/1040807331.db2.gz VDZGDYBBCXDRTI-GBAAUQCPSA-N 2 1 382.548 3.565 20 0 GHADMP Brc1cccc(Br)c1C[NH+]1CCC(C2C[NH2+]C2)CC1 ZINC001235336554 1040807569 /nfs/dbraw/zinc/80/75/69/1040807569.db2.gz ZDABURNGRUNUTC-UHFFFAOYSA-N 2 1 388.147 3.643 20 0 GHADMP Cn1cc(-c2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccn2)cn1 ZINC001255128024 1040821027 /nfs/dbraw/zinc/82/10/27/1040821027.db2.gz ITGJOGZBLMWDDK-WBDAEOGXSA-N 2 1 387.531 3.767 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC2CC[NH+](CC4CCOCC4)CC2)C3)cc1 ZINC001255132852 1040827217 /nfs/dbraw/zinc/82/72/17/1040827217.db2.gz WXKQKQDKTAYMCG-QEIWAGNOSA-N 2 1 397.607 3.663 20 0 GHADMP C[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136434 1040838527 /nfs/dbraw/zinc/83/85/27/1040838527.db2.gz LBQBPHYPBHPYOG-LGKHCZOZSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136434 1040838544 /nfs/dbraw/zinc/83/85/44/1040838544.db2.gz LBQBPHYPBHPYOG-LGKHCZOZSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136434 1040838556 /nfs/dbraw/zinc/83/85/56/1040838556.db2.gz LBQBPHYPBHPYOG-LGKHCZOZSA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@@]1(O)C(F)(F)F ZINC001255136434 1040838563 /nfs/dbraw/zinc/83/85/63/1040838563.db2.gz LBQBPHYPBHPYOG-LGKHCZOZSA-N 2 1 382.470 3.817 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255139325 1040842779 /nfs/dbraw/zinc/84/27/79/1040842779.db2.gz KMDPUQIZOYVHND-FBROZUCGSA-N 2 1 387.527 3.778 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255139325 1040842792 /nfs/dbraw/zinc/84/27/92/1040842792.db2.gz KMDPUQIZOYVHND-FBROZUCGSA-N 2 1 387.527 3.778 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255139325 1040842809 /nfs/dbraw/zinc/84/28/09/1040842809.db2.gz KMDPUQIZOYVHND-FBROZUCGSA-N 2 1 387.527 3.778 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(C)c1OCCO ZINC001235363506 1040847925 /nfs/dbraw/zinc/84/79/25/1040847925.db2.gz ACUQARRJENFFKF-RPWUZVMVSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(C)c1OCCO ZINC001235363506 1040847937 /nfs/dbraw/zinc/84/79/37/1040847937.db2.gz ACUQARRJENFFKF-RPWUZVMVSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)c1OCCO ZINC001235363506 1040847962 /nfs/dbraw/zinc/84/79/62/1040847962.db2.gz ACUQARRJENFFKF-RPWUZVMVSA-N 2 1 394.559 3.628 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(C)c1OCCO ZINC001235363506 1040847975 /nfs/dbraw/zinc/84/79/75/1040847975.db2.gz ACUQARRJENFFKF-RPWUZVMVSA-N 2 1 394.559 3.628 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255143576 1040855413 /nfs/dbraw/zinc/85/54/13/1040855413.db2.gz NLKKAXLILNIUKC-KIHHCIJBSA-N 2 1 381.564 3.659 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255143576 1040855420 /nfs/dbraw/zinc/85/54/20/1040855420.db2.gz NLKKAXLILNIUKC-KIHHCIJBSA-N 2 1 381.564 3.659 20 0 GHADMP CC(=O)N1CCCC[C@@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255143576 1040855432 /nfs/dbraw/zinc/85/54/32/1040855432.db2.gz NLKKAXLILNIUKC-KIHHCIJBSA-N 2 1 381.564 3.659 20 0 GHADMP O=C(C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCCC1 ZINC001255145950 1040859295 /nfs/dbraw/zinc/85/92/95/1040859295.db2.gz XYAVIUDBKFDJAF-UBRQYEGLSA-N 2 1 395.591 3.907 20 0 GHADMP c1ccc([C@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2cccc(-c4ncccn4)c2)CC3)cc1 ZINC001235368204 1040865991 /nfs/dbraw/zinc/86/59/91/1040865991.db2.gz JAECOUWTKNXZFV-UKILVPOCSA-N 2 1 384.527 3.897 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001255149738 1040868680 /nfs/dbraw/zinc/86/86/80/1040868680.db2.gz MZZGCWJEDFJWNH-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)n1 ZINC001255149738 1040868694 /nfs/dbraw/zinc/86/86/94/1040868694.db2.gz MZZGCWJEDFJWNH-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)n1 ZINC001255149738 1040868703 /nfs/dbraw/zinc/86/87/03/1040868703.db2.gz MZZGCWJEDFJWNH-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)n1 ZINC001255149738 1040868712 /nfs/dbraw/zinc/86/87/12/1040868712.db2.gz MZZGCWJEDFJWNH-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235372804 1040880464 /nfs/dbraw/zinc/88/04/64/1040880464.db2.gz VDWHDJGIZWESQI-VWNXMTODSA-N 3 1 381.539 3.641 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235372804 1040880479 /nfs/dbraw/zinc/88/04/79/1040880479.db2.gz VDWHDJGIZWESQI-VWNXMTODSA-N 3 1 381.539 3.641 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@@H+](Cc2cccc(N4CCCCC4)n2)C3)cc1 ZINC001235374619 1040882183 /nfs/dbraw/zinc/88/21/83/1040882183.db2.gz GGSHRVVMLSPCFQ-VWNXMTODSA-N 2 1 376.548 3.651 20 0 GHADMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](Cc2cccc(N4CCCCC4)n2)C3)cc1 ZINC001235374619 1040882210 /nfs/dbraw/zinc/88/22/10/1040882210.db2.gz GGSHRVVMLSPCFQ-VWNXMTODSA-N 2 1 376.548 3.651 20 0 GHADMP CC(C)c1cc(Br)ccc1C[N@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235377793 1040894189 /nfs/dbraw/zinc/89/41/89/1040894189.db2.gz DFNBEQAXCISWIF-SZVBFZGTSA-N 2 1 379.342 3.525 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001255211898 1040907303 /nfs/dbraw/zinc/90/73/03/1040907303.db2.gz XLFAJKWKNSVMTJ-KHUIQGCPSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001255211898 1040907305 /nfs/dbraw/zinc/90/73/05/1040907305.db2.gz XLFAJKWKNSVMTJ-KHUIQGCPSA-N 2 1 397.563 3.736 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001255211898 1040907309 /nfs/dbraw/zinc/90/73/09/1040907309.db2.gz XLFAJKWKNSVMTJ-KHUIQGCPSA-N 2 1 397.563 3.736 20 0 GHADMP COC(=O)c1ccc(-c2cccc(C[N@H+]3CC[C@]4(C3)C[NH2+]CC[C@@H]4F)c2)cc1 ZINC001235405152 1040916861 /nfs/dbraw/zinc/91/68/61/1040916861.db2.gz NZPHDPIGFYAEOC-JTHBVZDNSA-N 2 1 382.479 3.664 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235431223 1040932807 /nfs/dbraw/zinc/93/28/07/1040932807.db2.gz YSOKEPCLZFXCFU-HUUCEWRRSA-N 2 1 397.357 3.678 20 0 GHADMP Cc1ccc(I)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235433052 1040934194 /nfs/dbraw/zinc/93/41/94/1040934194.db2.gz WSZOSOWINGPWNG-HZPDHXFCSA-N 2 1 398.332 3.811 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433243 1040934625 /nfs/dbraw/zinc/93/46/25/1040934625.db2.gz YQKVZZHJYINWEK-KBPBESRZSA-N 2 1 382.430 3.673 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235433243 1040934642 /nfs/dbraw/zinc/93/46/42/1040934642.db2.gz YQKVZZHJYINWEK-KBPBESRZSA-N 2 1 382.430 3.673 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235433243 1040934643 /nfs/dbraw/zinc/93/46/43/1040934643.db2.gz YQKVZZHJYINWEK-KBPBESRZSA-N 2 1 382.430 3.673 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255379945 1040971675 /nfs/dbraw/zinc/97/16/75/1040971675.db2.gz YQLSGSHYOYKEOG-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255379945 1040971681 /nfs/dbraw/zinc/97/16/81/1040971681.db2.gz YQLSGSHYOYKEOG-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001255379945 1040971693 /nfs/dbraw/zinc/97/16/93/1040971693.db2.gz YQLSGSHYOYKEOG-ODAXIHTASA-N 2 1 384.564 3.952 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccccc3CN3CCOCC3)CC2)cc1 ZINC001255381984 1040972783 /nfs/dbraw/zinc/97/27/83/1040972783.db2.gz AUCPJYJJGYINMH-VWLOTQADSA-N 2 1 393.575 3.663 20 0 GHADMP CC(C)(C)OC(=O)N1CC(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255384584 1040974704 /nfs/dbraw/zinc/97/47/04/1040974704.db2.gz ZNAOVORBTKYIAW-OAQYLSRUSA-N 2 1 387.568 3.888 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389665 1040978798 /nfs/dbraw/zinc/97/87/98/1040978798.db2.gz PDLGQKMDRVFPSF-RBBKRZOGSA-N 2 1 382.504 3.641 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC001255389665 1040978803 /nfs/dbraw/zinc/97/88/03/1040978803.db2.gz PDLGQKMDRVFPSF-RBBKRZOGSA-N 2 1 382.504 3.641 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255400160 1040986684 /nfs/dbraw/zinc/98/66/84/1040986684.db2.gz GSFGFZRMAVTSPZ-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255400160 1040986685 /nfs/dbraw/zinc/98/66/85/1040986685.db2.gz GSFGFZRMAVTSPZ-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255400160 1040986689 /nfs/dbraw/zinc/98/66/89/1040986689.db2.gz GSFGFZRMAVTSPZ-NRFANRHFSA-N 2 1 399.579 3.984 20 0 GHADMP C(C[NH2+]C1CCCCC1)C[NH+]1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC001235560230 1040987628 /nfs/dbraw/zinc/98/76/28/1040987628.db2.gz OVZGFPUQOQNZQF-OAQYLSRUSA-N 2 1 378.601 3.844 20 0 GHADMP O=C(NC1CCC1)[C@H]1CC12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255402505 1040989212 /nfs/dbraw/zinc/98/92/12/1040989212.db2.gz OIHSQCHKFAGZLR-XZOQPEGZSA-N 2 1 395.591 3.812 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255403664 1040991275 /nfs/dbraw/zinc/99/12/75/1040991275.db2.gz FBQRJEUZVWFZEH-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403664 1040991278 /nfs/dbraw/zinc/99/12/78/1040991278.db2.gz FBQRJEUZVWFZEH-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403664 1040991279 /nfs/dbraw/zinc/99/12/79/1040991279.db2.gz FBQRJEUZVWFZEH-NHCUHLMSSA-N 2 1 387.568 3.888 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255405862 1040992931 /nfs/dbraw/zinc/99/29/31/1040992931.db2.gz ZKLBIHQHQQYJGX-HSZRJFAPSA-N 2 1 383.580 3.908 20 0 GHADMP O=C1N(CC2CC2)CCC12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255410054 1040999248 /nfs/dbraw/zinc/99/92/48/1040999248.db2.gz QCACDASCCIMPFP-HSZRJFAPSA-N 2 1 395.591 3.766 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn3c4c2cccc4C[NH2+]CC3)c1 ZINC001235609982 1041027636 /nfs/dbraw/zinc/02/76/36/1041027636.db2.gz OCQAKZXIPCWGSN-BGYRXZFFSA-N 2 1 392.572 3.655 20 0 GHADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cn3c4c2cccc4C[NH2+]CC3)c1 ZINC001235609982 1041027654 /nfs/dbraw/zinc/02/76/54/1041027654.db2.gz OCQAKZXIPCWGSN-BGYRXZFFSA-N 2 1 392.572 3.655 20 0 GHADMP c1csc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cn3c4c2cccc4C[NH2+]CC3)c1 ZINC001235609982 1041027701 /nfs/dbraw/zinc/02/77/01/1041027701.db2.gz OCQAKZXIPCWGSN-BGYRXZFFSA-N 2 1 392.572 3.655 20 0 GHADMP Cn1nc(-c2ccccc2)c2c1C[C@@H]1C[N@@H+](Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235615447 1041036493 /nfs/dbraw/zinc/03/64/93/1041036493.db2.gz LVXPMGBYGHNXTH-MJGOQNOKSA-N 2 1 390.556 3.566 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1ccccc1-c1ccncc1)CC2 ZINC001235619006 1041044396 /nfs/dbraw/zinc/04/43/96/1041044396.db2.gz HEPDPHHNPMYYBQ-UHFFFAOYSA-N 2 1 387.531 3.599 20 0 GHADMP Fc1cccc(CN2CC[C@@]23CCC[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)c1 ZINC001235630270 1041060460 /nfs/dbraw/zinc/06/04/60/1041060460.db2.gz XGELRCDSDBCNAH-XMMPIXPASA-N 2 1 379.523 3.712 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235631242 1041063399 /nfs/dbraw/zinc/06/33/99/1041063399.db2.gz XMXHUMOLXPBCJI-XMMPIXPASA-N 2 1 381.564 3.699 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3c(F)ccc(N)c3F)C[C@H]21 ZINC001235660601 1041110764 /nfs/dbraw/zinc/11/07/64/1041110764.db2.gz HHSNUQRFUMKNIR-LUQKVYGDSA-N 2 1 386.490 3.675 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)C1 ZINC001255596025 1041154744 /nfs/dbraw/zinc/15/47/44/1041154744.db2.gz SOZCCSJGDMJYFP-KRWDZBQOSA-N 2 1 393.959 3.685 20 0 GHADMP Clc1ccc(CO[C@H]2CC[N@@H+](Cc3ccc4n3CC[NH2+]C4)C2)c(Cl)c1 ZINC001235711373 1041194103 /nfs/dbraw/zinc/19/41/03/1041194103.db2.gz ZSPDYZWAHQKONM-SFHVURJKSA-N 2 1 380.319 3.689 20 0 GHADMP Brc1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC001235725189 1041211580 /nfs/dbraw/zinc/21/15/80/1041211580.db2.gz IPIXSOMZEJVEPA-UHFFFAOYSA-N 2 1 378.358 3.625 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716571 1041243671 /nfs/dbraw/zinc/24/36/71/1041243671.db2.gz NIWZFAMOUKQAGB-QQXKLLMISA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716571 1041243688 /nfs/dbraw/zinc/24/36/88/1041243688.db2.gz NIWZFAMOUKQAGB-QQXKLLMISA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716571 1041243702 /nfs/dbraw/zinc/24/37/02/1041243702.db2.gz NIWZFAMOUKQAGB-QQXKLLMISA-N 2 1 399.505 3.572 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC001255716571 1041243717 /nfs/dbraw/zinc/24/37/17/1041243717.db2.gz NIWZFAMOUKQAGB-QQXKLLMISA-N 2 1 399.505 3.572 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH+]1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235816745 1041332121 /nfs/dbraw/zinc/33/21/21/1041332121.db2.gz YGDNCSUIQSWYQL-UHFFFAOYSA-N 2 1 379.548 3.622 20 0 GHADMP [NH3+]CCCC[N@H+]1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235867396 1041400394 /nfs/dbraw/zinc/40/03/94/1041400394.db2.gz PGHPIPOACBFCRQ-UHFFFAOYSA-N 2 1 381.564 3.539 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2F ZINC001255959948 1041437998 /nfs/dbraw/zinc/43/79/98/1041437998.db2.gz QCFQEUIPWIFQHW-UEXGIBASSA-N 2 1 385.568 3.778 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CC[C@H]2F ZINC001255959948 1041438003 /nfs/dbraw/zinc/43/80/03/1041438003.db2.gz QCFQEUIPWIFQHW-UEXGIBASSA-N 2 1 385.568 3.778 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN(Cc2ccccc2)[C@@H]2CC[NH2+]C[C@H]2F)cc1 ZINC001235936239 1041439101 /nfs/dbraw/zinc/43/91/01/1041439101.db2.gz QDNZOZKNBISWSK-DHIUTWEWSA-N 2 1 378.495 3.883 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001255961394 1041440040 /nfs/dbraw/zinc/44/00/40/1041440040.db2.gz DAKKNTGPHVQMJM-FYYLOGMGSA-N 2 1 387.612 3.862 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CC1)c1ccccc1N(CC1CC1)C2=O ZINC001255962960 1041445368 /nfs/dbraw/zinc/44/53/68/1041445368.db2.gz LWEFYNYWAQCDEC-LJQANCHMSA-N 2 1 383.580 3.897 20 0 GHADMP Clc1ccc([C@H]2CC[N@@H+](Cc3cnc4cc(C5CC[NH2+]CC5)nn4c3)C2)cc1 ZINC001235947369 1041453566 /nfs/dbraw/zinc/45/35/66/1041453566.db2.gz IWRHVNZDRIGAGH-IBGZPJMESA-N 2 1 395.938 3.839 20 0 GHADMP FC(F)(F)Oc1ccc(C[NH+]2CC3(C2)CCC[NH2+]CC3)c(Br)c1 ZINC001236008365 1041500273 /nfs/dbraw/zinc/50/02/73/1041500273.db2.gz CPMGPRBQKVUSJE-UHFFFAOYSA-N 2 1 393.247 3.923 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001256067175 1041504261 /nfs/dbraw/zinc/50/42/61/1041504261.db2.gz DSDSNNRHLIGEDR-PGRDOPGGSA-N 2 1 377.573 3.773 20 0 GHADMP O=C(c1cccc(C(F)(F)F)c1)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256071646 1041507159 /nfs/dbraw/zinc/50/71/59/1041507159.db2.gz IUGYLPCXXXPVSU-UHFFFAOYSA-N 2 1 395.469 3.526 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)cc(C)c1-c1ccc(F)cc1F ZINC001236077615 1041523456 /nfs/dbraw/zinc/52/34/56/1041523456.db2.gz IXABTJSOHBXKGR-FQEVSTJZSA-N 2 1 385.502 3.856 20 0 GHADMP [NH3+]CC1CN([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4C(F)(F)F)o3)C2)C1 ZINC001236077811 1041524536 /nfs/dbraw/zinc/52/45/36/1041524536.db2.gz DBAXWJWNAFUTHV-INIZCTEOSA-N 2 1 393.453 3.820 20 0 GHADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(Cc3c(Cl)cc(C(F)(F)F)cc3Cl)C2)C1 ZINC001236081772 1041526256 /nfs/dbraw/zinc/52/62/56/1041526256.db2.gz GHKMBUZNAIBYDT-CYBMUJFWSA-N 2 1 396.284 3.867 20 0 GHADMP c1c(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)sc2c1CC[NH2+]C2 ZINC001236088341 1041528425 /nfs/dbraw/zinc/52/84/25/1041528425.db2.gz FCKFRDFRTJWIIE-UHFFFAOYSA-N 2 1 377.557 3.865 20 0 GHADMP C[NH2+]C1CCC([N@@H+](C)Cc2cc(C)c(I)c(C)c2)CC1 ZINC001236216541 1041626272 /nfs/dbraw/zinc/62/62/72/1041626272.db2.gz QWRHMRBHXNMSLW-UHFFFAOYSA-N 2 1 386.321 3.870 20 0 GHADMP C[N@@H+](Cc1ccc(Br)c(OC(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001236225767 1041631066 /nfs/dbraw/zinc/63/10/66/1041631066.db2.gz FRZMMCCEVRFQBY-UHFFFAOYSA-N 2 1 381.236 3.922 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc2c(s1)C[NH2+]CC2 ZINC001236235549 1041636314 /nfs/dbraw/zinc/63/63/14/1041636314.db2.gz DOCSFPJUHPMHFS-JLSDUUJJSA-N 2 1 376.566 3.869 20 0 GHADMP FC(F)(F)Oc1ccc2c(c1)C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)CC2 ZINC001236246044 1041643071 /nfs/dbraw/zinc/64/30/71/1041643071.db2.gz XJCHANKAFKQPCO-UHFFFAOYSA-N 2 1 391.437 3.553 20 0 GHADMP FC(F)(F)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC001236303221 1041666276 /nfs/dbraw/zinc/66/62/76/1041666276.db2.gz MYSSUJAAQKJWME-LJQANCHMSA-N 2 1 390.453 3.847 20 0 GHADMP CCOC(=O)N1CCC([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001256247648 1041673436 /nfs/dbraw/zinc/67/34/36/1041673436.db2.gz YJJHVFHRCSXHDK-HSZRJFAPSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256247648 1041673440 /nfs/dbraw/zinc/67/34/40/1041673440.db2.gz YJJHVFHRCSXHDK-HSZRJFAPSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001256247648 1041673448 /nfs/dbraw/zinc/67/34/48/1041673448.db2.gz YJJHVFHRCSXHDK-HSZRJFAPSA-N 2 1 385.552 3.595 20 0 GHADMP COC(=O)c1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(F)c1 ZINC001236383158 1041691535 /nfs/dbraw/zinc/69/15/35/1041691535.db2.gz RYJVKIHBFQRCIS-UHFFFAOYSA-N 2 1 388.458 3.753 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cnc3ccc(Cl)nn23)CC2CC[NH2+]CC2)cc1 ZINC001236384047 1041692418 /nfs/dbraw/zinc/69/24/18/1041692418.db2.gz YHPIYJMVBXPSQP-UHFFFAOYSA-N 2 1 387.890 3.524 20 0 GHADMP COCCCOc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236407249 1041703425 /nfs/dbraw/zinc/70/34/25/1041703425.db2.gz QWQVXEUFHNLHHJ-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COCCCOc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236407249 1041703432 /nfs/dbraw/zinc/70/34/32/1041703432.db2.gz QWQVXEUFHNLHHJ-UHFFFAOYSA-N 2 1 386.511 3.995 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3cc(OC)ccc23)C2CC[NH2+]CC2)cc1 ZINC001236442248 1041714502 /nfs/dbraw/zinc/71/45/02/1041714502.db2.gz LJJAIJDDEXGOPE-UHFFFAOYSA-N 2 1 379.504 3.939 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]([C@@H](C)Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256407364 1041721260 /nfs/dbraw/zinc/72/12/60/1041721260.db2.gz MKNRIXXGGAXLCQ-XJABCFGWSA-N 2 1 381.520 3.571 20 0 GHADMP CCOCC[N@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C1CC[NH2+]CC1 ZINC001236462196 1041724456 /nfs/dbraw/zinc/72/44/56/1041724456.db2.gz QYZYLUNHFYXBOB-UHFFFAOYSA-N 2 1 378.410 3.514 20 0 GHADMP CCOCC[N@@H+](Cc1ccc(OC(F)(F)C(F)F)cc1)C1CC[NH2+]CC1 ZINC001236462196 1041724461 /nfs/dbraw/zinc/72/44/61/1041724461.db2.gz QYZYLUNHFYXBOB-UHFFFAOYSA-N 2 1 378.410 3.514 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2c[nH]c3cccc(F)c23)C2CC[NH2+]CC2)c1 ZINC001236464694 1041726036 /nfs/dbraw/zinc/72/60/36/1041726036.db2.gz JHYCODPMINXFAZ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2c[nH]c3cccc(F)c23)C2CC[NH2+]CC2)c1 ZINC001236464694 1041726044 /nfs/dbraw/zinc/72/60/44/1041726044.db2.gz JHYCODPMINXFAZ-UHFFFAOYSA-N 2 1 395.478 3.848 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2cc(C)c(F)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236465457 1041727528 /nfs/dbraw/zinc/72/75/28/1041727528.db2.gz TUYJRGMWKYXUMA-UHFFFAOYSA-N 2 1 384.495 3.983 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2cc(C)c(F)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236465457 1041727537 /nfs/dbraw/zinc/72/75/37/1041727537.db2.gz TUYJRGMWKYXUMA-UHFFFAOYSA-N 2 1 384.495 3.983 20 0 GHADMP C[N@H+]1CCC[C@@H](CN(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001236490606 1041737369 /nfs/dbraw/zinc/73/73/69/1041737369.db2.gz HOSFEWVDBMKLGG-MRXNPFEDSA-N 2 1 387.465 3.740 20 0 GHADMP COc1ccc(CC[N@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)cc1OC ZINC001236492551 1041738476 /nfs/dbraw/zinc/73/84/76/1041738476.db2.gz LBYALHAMOLUANV-UHFFFAOYSA-N 2 1 386.511 3.948 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)cc1OC ZINC001236492551 1041738483 /nfs/dbraw/zinc/73/84/83/1041738483.db2.gz LBYALHAMOLUANV-UHFFFAOYSA-N 2 1 386.511 3.948 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001256465527 1041745727 /nfs/dbraw/zinc/74/57/27/1041745727.db2.gz VMGMEOZLGAOCQS-CGBFIWBNSA-N 2 1 395.588 3.525 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)CC1 ZINC001236517589 1041750503 /nfs/dbraw/zinc/75/05/03/1041750503.db2.gz LOLWXMMFGTXAPJ-IYARVYRRSA-N 2 1 376.516 3.668 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cnc3c(Br)cccn23)CC2CCC2)CC1 ZINC001236540169 1041756608 /nfs/dbraw/zinc/75/66/08/1041756608.db2.gz JESMMXTYWIQNDX-WKILWMFISA-N 2 1 391.357 3.969 20 0 GHADMP COc1ccc(C[N@@H+](CCc2ccc3c(c2)CCO3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236542301 1041756727 /nfs/dbraw/zinc/75/67/27/1041756727.db2.gz DJISQXNOXUECKS-HZCBDIJESA-N 2 1 380.532 3.945 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c(OC)cccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236543416 1041757618 /nfs/dbraw/zinc/75/76/18/1041757618.db2.gz RGZQAKAPYNKPSE-WGSAOQKQSA-N 2 1 384.520 3.985 20 0 GHADMP COCCCOc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)ccc1OC ZINC001236553296 1041759457 /nfs/dbraw/zinc/75/94/57/1041759457.db2.gz ZMLFOIZVJJBJCR-MXVIHJGJSA-N 2 1 378.557 3.838 20 0 GHADMP C[NH+]1CCC(c2ccc(-c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC001236559282 1041762277 /nfs/dbraw/zinc/76/22/77/1041762277.db2.gz GTLIKRVHKLKMED-UHFFFAOYSA-N 2 1 377.532 3.550 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236564011 1041764842 /nfs/dbraw/zinc/76/48/42/1041764842.db2.gz BWJLVURHSBWRHV-DUXKGJEZSA-N 2 1 381.520 3.761 20 0 GHADMP Cc1ccc(I)cc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236601603 1041775663 /nfs/dbraw/zinc/77/56/63/1041775663.db2.gz NNDMLYGIMXIULZ-AWEZNQCLSA-N 2 1 384.305 3.564 20 0 GHADMP Cc1ccc(I)cc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236601604 1041775731 /nfs/dbraw/zinc/77/57/31/1041775731.db2.gz NNDMLYGIMXIULZ-CQSZACIVSA-N 2 1 384.305 3.564 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)cc1 ZINC001236622880 1041789055 /nfs/dbraw/zinc/78/90/55/1041789055.db2.gz QGKNSFKDVFHQNK-QHCPKHFHSA-N 2 1 382.527 3.591 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cnc2ccc(C)cn12)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236702043 1041841825 /nfs/dbraw/zinc/84/18/25/1041841825.db2.gz WYKVYFSNAJOBEV-MXVIHJGJSA-N 2 1 378.520 3.923 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc2c1OCO2 ZINC001236701978 1041841874 /nfs/dbraw/zinc/84/18/74/1041841874.db2.gz UXKOODQUOWNDKR-WGSAOQKQSA-N 2 1 398.503 3.705 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236728775 1041860299 /nfs/dbraw/zinc/86/02/99/1041860299.db2.gz HQVTVEUWYGSBSR-HZCBDIJESA-N 2 1 375.520 3.848 20 0 GHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001236896844 1041944690 /nfs/dbraw/zinc/94/46/90/1041944690.db2.gz ZRWKGOSEEYCEJK-HSZRJFAPSA-N 2 1 393.531 3.562 20 0 GHADMP Fc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cn1 ZINC001236989536 1041980197 /nfs/dbraw/zinc/98/01/97/1041980197.db2.gz PYUNKOUQNNHQSJ-OYRHEFFESA-N 2 1 388.490 3.847 20 0 GHADMP Fc1ccccc1-c1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cn1 ZINC001236989536 1041980199 /nfs/dbraw/zinc/98/01/99/1041980199.db2.gz PYUNKOUQNNHQSJ-OYRHEFFESA-N 2 1 388.490 3.847 20 0 GHADMP Fc1ccccc1-c1ccc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cn1 ZINC001236989536 1041980203 /nfs/dbraw/zinc/98/02/03/1041980203.db2.gz PYUNKOUQNNHQSJ-OYRHEFFESA-N 2 1 388.490 3.847 20 0 GHADMP CN1CCC([N@@H+](CC(c2ccccc2)c2ccccc2)C2CC[NH2+]CC2)CC1 ZINC001237037037 1041998187 /nfs/dbraw/zinc/99/81/87/1041998187.db2.gz FHAUHGGQQAQNFH-UHFFFAOYSA-N 2 1 377.576 3.967 20 0 GHADMP C[NH+]1CCC(N(CC(c2ccccc2)c2ccccc2)C2CC[NH2+]CC2)CC1 ZINC001237037037 1041998188 /nfs/dbraw/zinc/99/81/88/1041998188.db2.gz FHAUHGGQQAQNFH-UHFFFAOYSA-N 2 1 377.576 3.967 20 0 GHADMP C[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1cccc(OC(F)(F)F)c1 ZINC001237043770 1042004500 /nfs/dbraw/zinc/00/45/00/1042004500.db2.gz TWHSCXPFDLTMGL-UHFFFAOYSA-N 2 1 393.453 3.622 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)c(Br)c1 ZINC001237080863 1042026681 /nfs/dbraw/zinc/02/66/81/1042026681.db2.gz DYJBTMCREWDCHO-YHWZYXNKSA-N 2 1 388.147 3.913 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)c(Br)c1 ZINC001237080863 1042026686 /nfs/dbraw/zinc/02/66/86/1042026686.db2.gz DYJBTMCREWDCHO-YHWZYXNKSA-N 2 1 388.147 3.913 20 0 GHADMP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccc4cccccc3-4)CC2)CC1 ZINC001237183419 1042082880 /nfs/dbraw/zinc/08/28/80/1042082880.db2.gz OGKFYIBIVIOYJZ-UHFFFAOYSA-N 2 1 379.548 3.556 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)CCC12C[NH2+]C2 ZINC001237431827 1042205799 /nfs/dbraw/zinc/20/57/99/1042205799.db2.gz UXZRGZNHAJMAHY-LJQANCHMSA-N 2 1 378.472 3.561 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001237485932 1042230021 /nfs/dbraw/zinc/23/00/21/1042230021.db2.gz RJCHMQMVHRDYCH-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001237485932 1042230025 /nfs/dbraw/zinc/23/00/25/1042230025.db2.gz RJCHMQMVHRDYCH-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001237485932 1042230030 /nfs/dbraw/zinc/23/00/30/1042230030.db2.gz RJCHMQMVHRDYCH-BJKOFHAPSA-N 2 1 392.543 3.746 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001237486841 1042230324 /nfs/dbraw/zinc/23/03/24/1042230324.db2.gz BVINEDKGMXFHBM-UHFFFAOYSA-N 2 1 380.532 3.746 20 0 GHADMP CC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CCC4)C[C@@H]2C1 ZINC001237722967 1042342123 /nfs/dbraw/zinc/34/21/23/1042342123.db2.gz JIXSPMLRWOPYSK-PMACEKPBSA-N 2 1 385.552 3.758 20 0 GHADMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CC3=CSC(=C4SC=CS4)S3)[C@@H]2C1 ZINC001278222549 1042568081 /nfs/dbraw/zinc/56/80/81/1042568081.db2.gz ORNFARMWIMRMSD-DZGCQCFKSA-N 2 1 399.676 3.953 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(Br)cn1 ZINC001238522219 1042628231 /nfs/dbraw/zinc/62/82/31/1042628231.db2.gz DOVBTGFLDLHZBK-UHFFFAOYSA-N 2 1 382.346 3.549 20 0 GHADMP Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001238556317 1042638750 /nfs/dbraw/zinc/63/87/50/1042638750.db2.gz FOCGZLXSHHOQMO-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001238556317 1042638752 /nfs/dbraw/zinc/63/87/52/1042638752.db2.gz FOCGZLXSHHOQMO-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC001238556317 1042638754 /nfs/dbraw/zinc/63/87/54/1042638754.db2.gz FOCGZLXSHHOQMO-DENIHFKCSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001238558952 1042639862 /nfs/dbraw/zinc/63/98/62/1042639862.db2.gz YGTQCCJLAJPGTG-NHCUHLMSSA-N 2 1 389.971 3.556 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2cnc(N3CC[NH2+]CC3)c(C)c2)nc1 ZINC001239730011 1042846994 /nfs/dbraw/zinc/84/69/94/1042846994.db2.gz OSULHXUHOCTCFB-JOCHJYFZSA-N 2 1 379.552 3.799 20 0 GHADMP O=C(c1ccc(-c2cccc3c2C[N@@H+](Cc2ccccc2)C3)cc1)N1CC[NH2+]CC1 ZINC001240127351 1042894832 /nfs/dbraw/zinc/89/48/32/1042894832.db2.gz PMCBWSVJOWILPV-UHFFFAOYSA-N 2 1 397.522 3.915 20 0 GHADMP C[C@H](c1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc1)N1CC[NH2+]CC1 ZINC001240872935 1042961931 /nfs/dbraw/zinc/96/19/31/1042961931.db2.gz YRPJXRQGFIMGHN-HXUWFJFHSA-N 2 1 391.559 3.641 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]1 ZINC001256482591 1043415704 /nfs/dbraw/zinc/41/57/04/1043415704.db2.gz DJHGNPNTHQFKMM-MJGOQNOKSA-N 2 1 388.556 3.736 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256530755 1043464592 /nfs/dbraw/zinc/46/45/92/1043464592.db2.gz DYCOVNYEFCLBCW-UNMCSNQZSA-N 2 1 393.575 3.998 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541254 1043491565 /nfs/dbraw/zinc/49/15/65/1043491565.db2.gz IPMJDZLHJIXPQW-PZJWPPBQSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541254 1043491587 /nfs/dbraw/zinc/49/15/87/1043491587.db2.gz IPMJDZLHJIXPQW-PZJWPPBQSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)[NH+](C)Cc1nn([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541254 1043491595 /nfs/dbraw/zinc/49/15/95/1043491595.db2.gz IPMJDZLHJIXPQW-PZJWPPBQSA-N 3 1 395.595 3.595 20 0 GHADMP CC(C)N(C)Cc1nn([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541254 1043491613 /nfs/dbraw/zinc/49/16/13/1043491613.db2.gz IPMJDZLHJIXPQW-PZJWPPBQSA-N 2 1 395.595 3.595 20 0 GHADMP CC(C)N(C)Cc1nn([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c2c1CC[NH2+]C2 ZINC001256541254 1043491625 /nfs/dbraw/zinc/49/16/25/1043491625.db2.gz IPMJDZLHJIXPQW-PZJWPPBQSA-N 2 1 395.595 3.595 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557299 1043528185 /nfs/dbraw/zinc/52/81/85/1043528185.db2.gz LSJWMXBFNFSAAK-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CCC(NC(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256557299 1043528188 /nfs/dbraw/zinc/52/81/88/1043528188.db2.gz LSJWMXBFNFSAAK-NFBKMPQASA-N 2 1 398.595 3.699 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]12 ZINC001256570507 1043543040 /nfs/dbraw/zinc/54/30/40/1043543040.db2.gz LXEWARKGFDHJEM-UPVQGACJSA-N 2 1 383.580 3.514 20 0 GHADMP CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]12 ZINC001256570507 1043543048 /nfs/dbraw/zinc/54/30/48/1043543048.db2.gz LXEWARKGFDHJEM-UPVQGACJSA-N 2 1 383.580 3.514 20 0 GHADMP c1ccc(C[NH+]2CCC([NH2+]CC3CC[NH+](Cc4ccccn4)CC3)CC2)cc1 ZINC001256600310 1043564157 /nfs/dbraw/zinc/56/41/57/1043564157.db2.gz BQDYOXKUGOOLSM-UHFFFAOYSA-N 3 1 378.564 3.548 20 0 GHADMP COc1cccc(CC2([NH3+])CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC001256602009 1043565800 /nfs/dbraw/zinc/56/58/00/1043565800.db2.gz NFAFCFJILCSFSA-UHFFFAOYSA-N 2 1 393.575 3.696 20 0 GHADMP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC001256604684 1043567075 /nfs/dbraw/zinc/56/70/75/1043567075.db2.gz PQRPGYLYDHRBPP-DQEYMECFSA-N 2 1 393.575 3.530 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001256639237 1043587169 /nfs/dbraw/zinc/58/71/69/1043587169.db2.gz PLYFIXMWTZZMKR-YADHBBJMSA-N 2 1 383.511 3.843 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001256639237 1043587178 /nfs/dbraw/zinc/58/71/78/1043587178.db2.gz PLYFIXMWTZZMKR-YADHBBJMSA-N 2 1 383.511 3.843 20 0 GHADMP O=C(c1ccc(Cl)cc1)C1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256694857 1043626937 /nfs/dbraw/zinc/62/69/37/1043626937.db2.gz HFYCIXIXFHALHH-UHFFFAOYSA-N 2 1 390.955 3.878 20 0 GHADMP C[C@H](Cc1ccncc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001256744807 1043645629 /nfs/dbraw/zinc/64/56/29/1043645629.db2.gz ZFDYJWFAMNRSPF-NFBKMPQASA-N 2 1 379.548 3.768 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001292324226 1043684118 /nfs/dbraw/zinc/68/41/18/1043684118.db2.gz RAVBJPZEFZBLLY-QFIPXVFZSA-N 2 1 385.596 3.811 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001292323677 1043684512 /nfs/dbraw/zinc/68/45/12/1043684512.db2.gz DEKKOZRCOQVNPA-AHRSYUTCSA-N 2 1 387.593 3.603 20 0 GHADMP CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855820 1043704879 /nfs/dbraw/zinc/70/48/79/1043704879.db2.gz XDPKIFMEFVBXPN-UHFFFAOYSA-N 2 1 381.520 3.894 20 0 GHADMP CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855820 1043704887 /nfs/dbraw/zinc/70/48/87/1043704887.db2.gz XDPKIFMEFVBXPN-UHFFFAOYSA-N 2 1 381.520 3.894 20 0 GHADMP c1cc(-c2ncnc3c2CC[N@@H+](C2CCN(c4cc[nH+]cc4)CC2)CC3)cs1 ZINC001256859008 1043706624 /nfs/dbraw/zinc/70/66/24/1043706624.db2.gz HMZHEVIBDMJFDX-UHFFFAOYSA-N 2 1 391.544 3.670 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCN(c5cc[nH+]cc5)CC4)C[C@H]3C2)cc1 ZINC001256864957 1043708898 /nfs/dbraw/zinc/70/88/98/1043708898.db2.gz OEGAVQVMGCMXBH-FCHUYYIVSA-N 3 1 376.548 3.504 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@H]3C2)cc1 ZINC001256864957 1043708916 /nfs/dbraw/zinc/70/89/16/1043708916.db2.gz OEGAVQVMGCMXBH-FCHUYYIVSA-N 3 1 376.548 3.504 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCN(c5cc[nH+]cc5)CC4)C[C@H]3C2)cc1 ZINC001256864957 1043708931 /nfs/dbraw/zinc/70/89/31/1043708931.db2.gz OEGAVQVMGCMXBH-FCHUYYIVSA-N 3 1 376.548 3.504 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C2CC2)C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256864644 1043709747 /nfs/dbraw/zinc/70/97/47/1043709747.db2.gz LLNIDUQCAMAMHD-HXUWFJFHSA-N 2 1 386.540 3.524 20 0 GHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001256883580 1043721038 /nfs/dbraw/zinc/72/10/38/1043721038.db2.gz PNCBABRABRAGDB-INIZCTEOSA-N 2 1 384.490 3.922 20 0 GHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCN(c3ncccc3C(F)(F)F)CC2)C1 ZINC001256883580 1043721042 /nfs/dbraw/zinc/72/10/42/1043721042.db2.gz PNCBABRABRAGDB-INIZCTEOSA-N 2 1 384.490 3.922 20 0 GHADMP COc1ccc(Br)c(CC[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256894288 1043727621 /nfs/dbraw/zinc/72/76/21/1043727621.db2.gz GSIBPHIXAGQKSW-INIZCTEOSA-N 2 1 381.358 3.997 20 0 GHADMP COc1ccc(Br)c(CC[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256894288 1043727635 /nfs/dbraw/zinc/72/76/35/1043727635.db2.gz GSIBPHIXAGQKSW-INIZCTEOSA-N 2 1 381.358 3.997 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccccc1Cl ZINC001292582105 1043795178 /nfs/dbraw/zinc/79/51/78/1043795178.db2.gz JDNGTIURKOMSEU-IBGZPJMESA-N 2 1 379.976 3.537 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001292741536 1043856110 /nfs/dbraw/zinc/85/61/10/1043856110.db2.gz FZLOHVQDVIDYIQ-BJKOFHAPSA-N 2 1 397.607 3.868 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001292741536 1043856123 /nfs/dbraw/zinc/85/61/23/1043856123.db2.gz FZLOHVQDVIDYIQ-BJKOFHAPSA-N 2 1 397.607 3.868 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001292741536 1043856141 /nfs/dbraw/zinc/85/61/41/1043856141.db2.gz FZLOHVQDVIDYIQ-BJKOFHAPSA-N 2 1 397.607 3.868 20 0 GHADMP CC[C@@H]1C[C@H]([NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+])CCN1C(=O)OC(C)(C)C ZINC001257113652 1043858074 /nfs/dbraw/zinc/85/80/74/1043858074.db2.gz IYPFXRIHXLOTHK-QZTJIDSGSA-N 3 1 398.636 3.640 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257214496 1043938566 /nfs/dbraw/zinc/93/85/66/1043938566.db2.gz FYKJBFBHYZTHDG-JOCHJYFZSA-N 2 1 379.589 3.972 20 0 GHADMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001257214496 1043938571 /nfs/dbraw/zinc/93/85/71/1043938571.db2.gz FYKJBFBHYZTHDG-JOCHJYFZSA-N 2 1 379.589 3.972 20 0 GHADMP CCC[C@H](C)CC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001257480398 1044010745 /nfs/dbraw/zinc/01/07/45/1044010745.db2.gz WHWSGWIXZAIVLT-OALUTQOASA-N 2 1 376.589 3.896 20 0 GHADMP CCC[C@@H](C)CC[C@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001257479924 1044011791 /nfs/dbraw/zinc/01/17/91/1044011791.db2.gz SGDXIRKYGKJCBD-UXHICEINSA-N 2 1 391.604 3.701 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769871 1044160084 /nfs/dbraw/zinc/16/00/84/1044160084.db2.gz LPPMGPKGIPLRBM-QJLFFNEXSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257769871 1044160091 /nfs/dbraw/zinc/16/00/91/1044160091.db2.gz LPPMGPKGIPLRBM-QJLFFNEXSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257817759 1044199069 /nfs/dbraw/zinc/19/90/69/1044199069.db2.gz DXLMZQNKEYLOAI-DENIHFKCSA-N 2 1 379.589 3.830 20 0 GHADMP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001293504179 1044217814 /nfs/dbraw/zinc/21/78/14/1044217814.db2.gz JCCCVOWQIBEAJR-LJQANCHMSA-N 2 1 399.501 3.908 20 0 GHADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001293504179 1044217826 /nfs/dbraw/zinc/21/78/26/1044217826.db2.gz JCCCVOWQIBEAJR-LJQANCHMSA-N 2 1 399.501 3.908 20 0 GHADMP CCCCCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001293504179 1044217840 /nfs/dbraw/zinc/21/78/40/1044217840.db2.gz JCCCVOWQIBEAJR-LJQANCHMSA-N 2 1 399.501 3.908 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001293663142 1044282930 /nfs/dbraw/zinc/28/29/30/1044282930.db2.gz IQARKPDDXYNIOV-PTUXOGIPSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001293663142 1044282940 /nfs/dbraw/zinc/28/29/40/1044282940.db2.gz IQARKPDDXYNIOV-PTUXOGIPSA-N 2 1 383.580 3.905 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC001293663142 1044282957 /nfs/dbraw/zinc/28/29/57/1044282957.db2.gz IQARKPDDXYNIOV-PTUXOGIPSA-N 2 1 383.580 3.905 20 0 GHADMP CC(C)C[NH+]1CCC(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)CC1 ZINC001258012834 1044340251 /nfs/dbraw/zinc/34/02/51/1044340251.db2.gz YZKWJVBQTMXZLR-XMMPIXPASA-N 2 1 399.623 3.862 20 0 GHADMP CSc1ccc(C[NH+]2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)s1 ZINC001279077388 1044418004 /nfs/dbraw/zinc/41/80/04/1044418004.db2.gz QUCQAHWKUYRBLN-UHFFFAOYSA-N 2 1 376.595 3.655 20 0 GHADMP CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258137129 1044422344 /nfs/dbraw/zinc/42/23/44/1044422344.db2.gz GLMVNIMWDYFHFY-UHFFFAOYSA-N 2 1 389.584 3.977 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258139298 1044425701 /nfs/dbraw/zinc/42/57/01/1044425701.db2.gz FEXRJXOIRIOZND-MEMLXQNLSA-N 2 1 387.568 3.681 20 0 GHADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1 ZINC001258147953 1044437556 /nfs/dbraw/zinc/43/75/56/1044437556.db2.gz WADQAJKGNKABRN-UHFFFAOYSA-N 2 1 389.584 3.929 20 0 GHADMP CC(C)[N@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147953 1044437563 /nfs/dbraw/zinc/43/75/63/1044437563.db2.gz WADQAJKGNKABRN-UHFFFAOYSA-N 2 1 389.584 3.929 20 0 GHADMP CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258147953 1044437568 /nfs/dbraw/zinc/43/75/68/1044437568.db2.gz WADQAJKGNKABRN-UHFFFAOYSA-N 2 1 389.584 3.929 20 0 GHADMP C[N@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258148823 1044439390 /nfs/dbraw/zinc/43/93/90/1044439390.db2.gz UMZWCJZRHGDDLP-UHFFFAOYSA-N 2 1 389.584 3.930 20 0 GHADMP C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258148823 1044439397 /nfs/dbraw/zinc/43/93/97/1044439397.db2.gz UMZWCJZRHGDDLP-UHFFFAOYSA-N 2 1 389.584 3.930 20 0 GHADMP CCC[C@H](Cc1ccccc1)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001258656871 1044696335 /nfs/dbraw/zinc/69/63/35/1044696335.db2.gz STYAIXCFRWNFQO-JOCHJYFZSA-N 2 1 396.579 3.701 20 0 GHADMP CCC[C@H](Cc1ccccc1)[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001258656871 1044696343 /nfs/dbraw/zinc/69/63/43/1044696343.db2.gz STYAIXCFRWNFQO-JOCHJYFZSA-N 2 1 396.579 3.701 20 0 GHADMP CCC[C@H](Cc1ccccc1)[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001258656871 1044696350 /nfs/dbraw/zinc/69/63/50/1044696350.db2.gz STYAIXCFRWNFQO-JOCHJYFZSA-N 2 1 396.579 3.701 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001294613854 1044727889 /nfs/dbraw/zinc/72/78/89/1044727889.db2.gz AQGOHUPDNQSTLB-FQEVSTJZSA-N 2 1 385.596 3.907 20 0 GHADMP CCC[NH+]1CCC([N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001258774339 1044759286 /nfs/dbraw/zinc/75/92/86/1044759286.db2.gz IKDPSUYSPSKCFF-HXUWFJFHSA-N 2 1 396.501 3.633 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(c4ncccc4F)C3)C2)CC1 ZINC001258774339 1044759301 /nfs/dbraw/zinc/75/93/01/1044759301.db2.gz IKDPSUYSPSKCFF-HXUWFJFHSA-N 2 1 396.501 3.633 20 0 GHADMP CCC[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001258777709 1044760819 /nfs/dbraw/zinc/76/08/19/1044760819.db2.gz FBZBKPCVDQPRSP-UHFFFAOYSA-N 2 1 397.485 3.774 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H](c2ccc(Cl)cc2)C2CCOCC2)CCO1 ZINC000662321889 1045082434 /nfs/dbraw/zinc/08/24/34/1045082434.db2.gz FSOMMIXVHPUTHJ-NHCUHLMSSA-N 2 1 380.960 3.850 20 0 GHADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)c2)CC1 ZINC001296726144 1045363616 /nfs/dbraw/zinc/36/36/16/1045363616.db2.gz YVHZEVDKFPQSPT-JOCHJYFZSA-N 2 1 384.568 3.564 20 0 GHADMP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001298317909 1045771711 /nfs/dbraw/zinc/77/17/11/1045771711.db2.gz DTQVUTKBFYCJBQ-SFTDATJTSA-N 2 1 397.607 3.662 20 0 GHADMP CC[N@@H+](CC(=O)N1CC[NH+](CCCc2ccccc2)C[C@@H]1CC(C)C)C1CC1 ZINC001298378068 1045791380 /nfs/dbraw/zinc/79/13/80/1045791380.db2.gz CLIDSKFCYZALOT-QHCPKHFHSA-N 2 1 385.596 3.662 20 0 GHADMP CC[NH+](CC(=O)N1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C)C1CC1 ZINC001298378068 1045791389 /nfs/dbraw/zinc/79/13/89/1045791389.db2.gz CLIDSKFCYZALOT-QHCPKHFHSA-N 2 1 385.596 3.662 20 0 GHADMP CC[NH+](CC(=O)N1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CC(C)C)C1CC1 ZINC001298378068 1045791399 /nfs/dbraw/zinc/79/13/99/1045791399.db2.gz CLIDSKFCYZALOT-QHCPKHFHSA-N 2 1 385.596 3.662 20 0 GHADMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(O)cc1F)CC2 ZINC001279227542 1047745289 /nfs/dbraw/zinc/74/52/89/1047745289.db2.gz OKBPCWOJANOBNE-UHFFFAOYSA-N 2 1 375.513 3.784 20 0 GHADMP FC(F)(F)CCC[N@H+]1CCCC2(CC[NH+](CCCC3OCCO3)CC2)C1 ZINC001279251374 1047749380 /nfs/dbraw/zinc/74/93/80/1047749380.db2.gz PDSSMPFPSGXKRE-UHFFFAOYSA-N 2 1 378.479 3.660 20 0 GHADMP Brc1ccnc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c1 ZINC001279313477 1047764590 /nfs/dbraw/zinc/76/45/90/1047764590.db2.gz OFWMPIYHKFIIFO-MOPGFXCFSA-N 2 1 389.341 3.897 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001279580650 1047852146 /nfs/dbraw/zinc/85/21/46/1047852146.db2.gz ZRBNTELUKDCZFU-CEMLEFRQSA-N 2 1 375.988 3.793 20 0 GHADMP CSc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4scnc4C)CC[C@@H]3C2)cn1 ZINC001279584618 1047856308 /nfs/dbraw/zinc/85/63/08/1047856308.db2.gz FXFATLLRGREMKY-HDICACEKSA-N 2 1 388.606 3.912 20 0 GHADMP Cc1ccc(Br)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001279662804 1047902826 /nfs/dbraw/zinc/90/28/26/1047902826.db2.gz VGZBHHLEAJFXBR-UHFFFAOYSA-N 2 1 389.341 3.579 20 0 GHADMP O=c1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccsc4Cl)C[C@H]3CC2)[nH]1 ZINC001279693237 1047918642 /nfs/dbraw/zinc/91/86/42/1047918642.db2.gz VQVLBOQSJKTVOR-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP O=c1cccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccsc4Cl)C[C@H]3CC2)[nH]1 ZINC001279693237 1047918645 /nfs/dbraw/zinc/91/86/45/1047918645.db2.gz VQVLBOQSJKTVOR-GASCZTMLSA-N 2 1 377.941 3.846 20 0 GHADMP Brc1cnc(C[NH2+][C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)cn1 ZINC001279720213 1047934650 /nfs/dbraw/zinc/93/46/50/1047934650.db2.gz QEQRGEWACDBACV-ZWKOTPCHSA-N 2 1 379.346 3.706 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1cccs1)C2 ZINC001279772551 1047945844 /nfs/dbraw/zinc/94/58/44/1047945844.db2.gz TYEIEXWOMLPBGO-TZIWHRDSSA-N 2 1 377.598 3.541 20 0 GHADMP COc1c(Br)cc(F)cc1C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001280121878 1048093352 /nfs/dbraw/zinc/09/33/52/1048093352.db2.gz KIAGMIYWVYQOIK-UHFFFAOYSA-N 2 1 385.321 3.905 20 0 GHADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001305541477 1048116063 /nfs/dbraw/zinc/11/60/63/1048116063.db2.gz XRFQIZXVKTUZMY-VQTJNVASSA-N 2 1 392.636 3.831 20 0 GHADMP Cc1cccc(Br)c1C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001280270908 1048154774 /nfs/dbraw/zinc/15/47/74/1048154774.db2.gz LUGLMGSHSOWUIB-FQEVSTJZSA-N 2 1 394.401 3.607 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001280338800 1048193079 /nfs/dbraw/zinc/19/30/79/1048193079.db2.gz KSXBCFFDHBGZCW-OXQOHEQNSA-N 2 1 398.378 3.616 20 0 GHADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1)Cc1ccccc1 ZINC001307459215 1049294031 /nfs/dbraw/zinc/29/40/31/1049294031.db2.gz QJNSGPAVEOSFNH-DQEYMECFSA-N 2 1 393.575 3.656 20 0 GHADMP C[C@@H]1SCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC001307472401 1049309173 /nfs/dbraw/zinc/30/91/73/1049309173.db2.gz MUVBBNNUBXZHIX-HARLFGEKSA-N 2 1 397.588 3.584 20 0 GHADMP C[C@@H]1SCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC001307472401 1049309183 /nfs/dbraw/zinc/30/91/83/1049309183.db2.gz MUVBBNNUBXZHIX-HARLFGEKSA-N 2 1 397.588 3.584 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307477470 1049313737 /nfs/dbraw/zinc/31/37/37/1049313737.db2.gz BZRYAFUCXUZKKL-WMQCIHAUSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307477470 1049313748 /nfs/dbraw/zinc/31/37/48/1049313748.db2.gz BZRYAFUCXUZKKL-WMQCIHAUSA-N 2 1 389.971 3.858 20 0 GHADMP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001307597731 1049436419 /nfs/dbraw/zinc/43/64/19/1049436419.db2.gz KFMLCNISAROEHY-DHIUTWEWSA-N 2 1 380.532 3.930 20 0 GHADMP COC(=O)C[C@H]1CCC[NH+]1C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597731 1049436423 /nfs/dbraw/zinc/43/64/23/1049436423.db2.gz KFMLCNISAROEHY-DHIUTWEWSA-N 2 1 380.532 3.930 20 0 GHADMP COC(=O)C[C@H]1CCC[NH+]1C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001307597731 1049436428 /nfs/dbraw/zinc/43/64/28/1049436428.db2.gz KFMLCNISAROEHY-DHIUTWEWSA-N 2 1 380.532 3.930 20 0 GHADMP CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC001307716354 1049531951 /nfs/dbraw/zinc/53/19/51/1049531951.db2.gz BWDJMTBCCZIATF-LJQANCHMSA-N 2 1 389.609 3.932 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)C2CCCCC2)CC1 ZINC001307720891 1049534158 /nfs/dbraw/zinc/53/41/58/1049534158.db2.gz APVNHBIWDIEXMH-HXUWFJFHSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001307791438 1049594989 /nfs/dbraw/zinc/59/49/89/1049594989.db2.gz IPCWXVAXUDWWEZ-DBXWQHBBSA-N 2 1 383.511 3.564 20 0 GHADMP COc1ccccc1OCC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307885685 1049666077 /nfs/dbraw/zinc/66/60/77/1049666077.db2.gz PQNIVDCEYNZJGV-BGYRXZFFSA-N 2 1 398.547 3.815 20 0 GHADMP COc1ccccc1OCC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307885685 1049666082 /nfs/dbraw/zinc/66/60/82/1049666082.db2.gz PQNIVDCEYNZJGV-BGYRXZFFSA-N 2 1 398.547 3.815 20 0 GHADMP COc1ccccc1OCC[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001307885685 1049666085 /nfs/dbraw/zinc/66/60/85/1049666085.db2.gz PQNIVDCEYNZJGV-BGYRXZFFSA-N 2 1 398.547 3.815 20 0 GHADMP C[NH+]1C[C@@]2(C)C[NH+](CCCCOc3ccc(Br)cc3)C[C@]2(C)C1 ZINC001307978075 1049735065 /nfs/dbraw/zinc/73/50/65/1049735065.db2.gz ILYMYEFBIUUKLC-OALUTQOASA-N 2 1 381.358 3.882 20 0 GHADMP COc1ccc(NC(=O)CC[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1Cl ZINC001308024367 1049775460 /nfs/dbraw/zinc/77/54/60/1049775460.db2.gz HKZWUEOFVNTZEB-UHFFFAOYSA-N 2 1 395.975 3.977 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001290311087 1049798268 /nfs/dbraw/zinc/79/82/68/1049798268.db2.gz QUECKOKNVCSBOX-NRFANRHFSA-N 2 1 375.532 3.563 20 0 GHADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001290311087 1049798275 /nfs/dbraw/zinc/79/82/75/1049798275.db2.gz QUECKOKNVCSBOX-NRFANRHFSA-N 2 1 375.532 3.563 20 0 GHADMP CCOc1ccc(Cl)cc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001308182604 1049904457 /nfs/dbraw/zinc/90/44/57/1049904457.db2.gz PFPLCRSXJZLVJN-SFHVURJKSA-N 2 1 393.984 3.879 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC001308196447 1049908962 /nfs/dbraw/zinc/90/89/62/1049908962.db2.gz HGPYRTBBHQXQTK-RTWAWAEBSA-N 2 1 387.568 3.860 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001308196447 1049908965 /nfs/dbraw/zinc/90/89/65/1049908965.db2.gz HGPYRTBBHQXQTK-RTWAWAEBSA-N 2 1 387.568 3.860 20 0 GHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c2c(n1)CCCC2 ZINC001308220102 1049917285 /nfs/dbraw/zinc/91/72/85/1049917285.db2.gz FUIDJUMINURMBG-LJQANCHMSA-N 2 1 379.548 3.779 20 0 GHADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c2c(n1)CCCC2 ZINC001308220102 1049917290 /nfs/dbraw/zinc/91/72/90/1049917290.db2.gz FUIDJUMINURMBG-LJQANCHMSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CCCCC3)c2)CCO1 ZINC001308220296 1049917326 /nfs/dbraw/zinc/91/73/26/1049917326.db2.gz PSFMTJZLBCXFJA-IBGZPJMESA-N 2 1 396.579 3.978 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cn(C)nc3C3CCCCC3)c2)CCO1 ZINC001308220296 1049917328 /nfs/dbraw/zinc/91/73/28/1049917328.db2.gz PSFMTJZLBCXFJA-IBGZPJMESA-N 2 1 396.579 3.978 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C4CCOCC4)C3)c2)CCO1 ZINC001308220089 1049917509 /nfs/dbraw/zinc/91/75/09/1049917509.db2.gz FPTDRVGWOOGGMW-VEXUSMLFSA-N 2 1 386.580 3.982 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C4CCOCC4)C3)c2)CCO1 ZINC001308220089 1049917511 /nfs/dbraw/zinc/91/75/11/1049917511.db2.gz FPTDRVGWOOGGMW-VEXUSMLFSA-N 2 1 386.580 3.982 20 0 GHADMP CN(C)c1cccc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001308299208 1049942179 /nfs/dbraw/zinc/94/21/79/1049942179.db2.gz DICDLZVQWKHECQ-UHFFFAOYSA-N 2 1 387.955 3.653 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(Br)c1O ZINC001308367970 1049960080 /nfs/dbraw/zinc/96/00/80/1049960080.db2.gz KLWKGSCCGDBZBC-ZFWWWQNUSA-N 2 1 397.357 3.906 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(Br)c(Br)c3)[C@@H]2C1 ZINC001308555767 1050007678 /nfs/dbraw/zinc/00/76/78/1050007678.db2.gz XPVLRXXJWMMYBA-ZOWXZIJZSA-N 2 1 388.147 3.641 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)CC2)C1 ZINC001308637521 1050042710 /nfs/dbraw/zinc/04/27/10/1050042710.db2.gz WQKYREYWFYSHIC-DCEDVJGZSA-N 3 1 399.623 3.776 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)CC2)C1 ZINC001308637521 1050042716 /nfs/dbraw/zinc/04/27/16/1050042716.db2.gz WQKYREYWFYSHIC-DCEDVJGZSA-N 3 1 399.623 3.776 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)CC2)C1 ZINC001308637521 1050042721 /nfs/dbraw/zinc/04/27/21/1050042721.db2.gz WQKYREYWFYSHIC-DCEDVJGZSA-N 3 1 399.623 3.776 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001308682412 1050058617 /nfs/dbraw/zinc/05/86/17/1050058617.db2.gz UFPMIHAXCKIFEW-SESVDKBCSA-N 2 1 385.552 3.640 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc2c(c1)CCCC2 ZINC001308753769 1050083035 /nfs/dbraw/zinc/08/30/35/1050083035.db2.gz CODJJNJQUDEWIG-UHFFFAOYSA-N 2 1 377.576 3.815 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001308761480 1050086321 /nfs/dbraw/zinc/08/63/21/1050086321.db2.gz XPNHLBMATHCGLM-XMMPIXPASA-N 2 1 399.579 3.889 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001308761480 1050086327 /nfs/dbraw/zinc/08/63/27/1050086327.db2.gz XPNHLBMATHCGLM-XMMPIXPASA-N 2 1 399.579 3.889 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001308761480 1050086333 /nfs/dbraw/zinc/08/63/33/1050086333.db2.gz XPNHLBMATHCGLM-XMMPIXPASA-N 2 1 399.579 3.889 20 0 GHADMP CC(C)C[N@H+](Cc1ccc(C(F)(F)F)nc1N(C)C)CC1CC[NH+](C)CC1 ZINC001308909221 1050158336 /nfs/dbraw/zinc/15/83/36/1050158336.db2.gz FFTILDUYUHQSON-UHFFFAOYSA-N 2 1 386.506 3.966 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001330623534 1051044100 /nfs/dbraw/zinc/04/41/00/1051044100.db2.gz UYISVUALIDUKQI-MJLAPFRSSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001330623534 1051044115 /nfs/dbraw/zinc/04/41/15/1051044115.db2.gz UYISVUALIDUKQI-MJLAPFRSSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001330623534 1051044129 /nfs/dbraw/zinc/04/41/29/1051044129.db2.gz UYISVUALIDUKQI-MJLAPFRSSA-N 2 1 398.595 3.744 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)CC1)CC(C)C ZINC001311401026 1052102679 /nfs/dbraw/zinc/10/26/79/1052102679.db2.gz ORZLPNLFHLYHFR-FQEVSTJZSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1)CC(C)C ZINC001311401026 1052102687 /nfs/dbraw/zinc/10/26/87/1052102687.db2.gz ORZLPNLFHLYHFR-FQEVSTJZSA-N 2 1 380.621 3.508 20 0 GHADMP CC[NH+](CCC1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1)CC(C)C ZINC001311401026 1052102701 /nfs/dbraw/zinc/10/27/01/1052102701.db2.gz ORZLPNLFHLYHFR-FQEVSTJZSA-N 2 1 380.621 3.508 20 0 GHADMP CC[C@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC001311444510 1052155377 /nfs/dbraw/zinc/15/53/77/1052155377.db2.gz OVVSWFJLZRDCFM-QHCPKHFHSA-N 2 1 394.563 3.554 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001311568958 1052252002 /nfs/dbraw/zinc/25/20/02/1052252002.db2.gz IEAXGPNVRJWOPF-VXKWHMMOSA-N 2 1 388.600 3.806 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001311580997 1052261899 /nfs/dbraw/zinc/26/18/99/1052261899.db2.gz BIMIJXXYQGSWRG-HXUWFJFHSA-N 2 1 394.991 3.752 20 0 GHADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001312140340 1052594686 /nfs/dbraw/zinc/59/46/86/1052594686.db2.gz IBVXHCXWRBHOGI-HXUWFJFHSA-N 2 1 378.605 3.595 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(Cl)cc1 ZINC001312164251 1052608845 /nfs/dbraw/zinc/60/88/45/1052608845.db2.gz JYLBPMVSLUTBPW-AZUAARDMSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001312674914 1052833558 /nfs/dbraw/zinc/83/35/58/1052833558.db2.gz LVNCZTHBRQFXQD-IBGZPJMESA-N 2 1 380.964 3.508 20 0 GHADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001312795857 1052873143 /nfs/dbraw/zinc/87/31/43/1052873143.db2.gz BDQNXLZBCBQUMA-GOSISDBHSA-N 2 1 394.991 3.678 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001312795857 1052873147 /nfs/dbraw/zinc/87/31/47/1052873147.db2.gz BDQNXLZBCBQUMA-GOSISDBHSA-N 2 1 394.991 3.678 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001312795857 1052873149 /nfs/dbraw/zinc/87/31/49/1052873149.db2.gz BDQNXLZBCBQUMA-GOSISDBHSA-N 2 1 394.991 3.678 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001312795857 1052873153 /nfs/dbraw/zinc/87/31/53/1052873153.db2.gz BDQNXLZBCBQUMA-GOSISDBHSA-N 2 1 394.991 3.678 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC001312958321 1052920678 /nfs/dbraw/zinc/92/06/78/1052920678.db2.gz KWHYXEPRWGFLSG-UHFFFAOYSA-N 2 1 388.600 3.518 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001312958321 1052920682 /nfs/dbraw/zinc/92/06/82/1052920682.db2.gz KWHYXEPRWGFLSG-UHFFFAOYSA-N 2 1 388.600 3.518 20 0 GHADMP CC(C)C[NH+](C)CCCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001312958321 1052920686 /nfs/dbraw/zinc/92/06/86/1052920686.db2.gz KWHYXEPRWGFLSG-UHFFFAOYSA-N 2 1 388.600 3.518 20 0 GHADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001313038507 1052940428 /nfs/dbraw/zinc/94/04/28/1052940428.db2.gz ZDNQZFTWAJHVFO-FQEVSTJZSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC001343420620 1053761494 /nfs/dbraw/zinc/76/14/94/1053761494.db2.gz KBCJUZTWCRCBCA-CEMLEFRQSA-N 2 1 383.580 3.716 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC001344535834 1054550686 /nfs/dbraw/zinc/55/06/86/1054550686.db2.gz SYQKVBDXGIVLJF-RPWUZVMVSA-N 2 1 392.591 3.953 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318387904 1054605039 /nfs/dbraw/zinc/60/50/39/1054605039.db2.gz BZCUOJYUUZDWHY-HSZRJFAPSA-N 2 1 394.563 3.546 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318387904 1054605052 /nfs/dbraw/zinc/60/50/52/1054605052.db2.gz BZCUOJYUUZDWHY-HSZRJFAPSA-N 2 1 394.563 3.546 20 0 GHADMP CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001319065697 1055018350 /nfs/dbraw/zinc/01/83/50/1055018350.db2.gz KXHYNRPGDOZMNP-QFIPXVFZSA-N 2 1 383.536 3.792 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC001319065697 1055018365 /nfs/dbraw/zinc/01/83/65/1055018365.db2.gz KXHYNRPGDOZMNP-QFIPXVFZSA-N 2 1 383.536 3.792 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC001319065697 1055018376 /nfs/dbraw/zinc/01/83/76/1055018376.db2.gz KXHYNRPGDOZMNP-QFIPXVFZSA-N 2 1 383.536 3.792 20 0 GHADMP CCC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC001319065697 1055018388 /nfs/dbraw/zinc/01/83/88/1055018388.db2.gz KXHYNRPGDOZMNP-QFIPXVFZSA-N 2 1 383.536 3.792 20 0 GHADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001319543962 1055316934 /nfs/dbraw/zinc/31/69/34/1055316934.db2.gz YOMFOJGWGSKQDU-CTNGQTDRSA-N 2 1 396.579 3.751 20 0 GHADMP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC001319543962 1055316952 /nfs/dbraw/zinc/31/69/52/1055316952.db2.gz YOMFOJGWGSKQDU-CTNGQTDRSA-N 2 1 396.579 3.751 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001319562520 1055323113 /nfs/dbraw/zinc/32/31/13/1055323113.db2.gz GLOLTSONLVYOBJ-DEOSSOPVSA-N 2 1 391.559 3.804 20 0 GHADMP COc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1OC ZINC001319762411 1055450140 /nfs/dbraw/zinc/45/01/40/1055450140.db2.gz GCAYXAZVTNZZKG-LJQANCHMSA-N 2 1 397.563 3.610 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC001319920219 1055543649 /nfs/dbraw/zinc/54/36/49/1055543649.db2.gz ZZKMGMGBKHOFLL-INIZCTEOSA-N 2 1 397.954 3.829 20 0 GHADMP CC(C)[C@H](C(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)[NH+]1CCCCC1 ZINC001322508758 1056735775 /nfs/dbraw/zinc/73/57/75/1056735775.db2.gz FTNAMWVQGIZFNU-JOCHJYFZSA-N 2 1 397.567 3.998 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC001322549297 1056751342 /nfs/dbraw/zinc/75/13/42/1056751342.db2.gz NPTJQJNRMLRKPA-PKTZIBPZSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1 ZINC001322549297 1056751357 /nfs/dbraw/zinc/75/13/57/1056751357.db2.gz NPTJQJNRMLRKPA-PKTZIBPZSA-N 2 1 394.563 3.635 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001323744474 1057007442 /nfs/dbraw/zinc/00/74/42/1057007442.db2.gz MAYNMFXUWUHMMF-GOTSBHOMSA-N 2 1 379.548 3.921 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000848888704 1057397622 /nfs/dbraw/zinc/39/76/22/1057397622.db2.gz AOLDWCRYZQGUGN-KTKRTIGZSA-N 2 1 394.515 3.954 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Oc2cc(C)ccc2C)nc1 ZINC000849060489 1057571930 /nfs/dbraw/zinc/57/19/30/1057571930.db2.gz AYKJYRDKEKCHEB-LJQANCHMSA-N 2 1 381.524 3.589 20 0 GHADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000849062501 1057573319 /nfs/dbraw/zinc/57/33/19/1057573319.db2.gz VWGIPACBVSXTET-CALCHBBNSA-N 2 1 376.545 3.788 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000849062139 1057573412 /nfs/dbraw/zinc/57/34/12/1057573412.db2.gz OYJZWEPKEKTUDA-HXUWFJFHSA-N 2 1 384.499 3.503 20 0 GHADMP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC001441245051 1058737031 /nfs/dbraw/zinc/73/70/31/1058737031.db2.gz UPIRDZJSUWCUSM-YADHBBJMSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001441245051 1058737054 /nfs/dbraw/zinc/73/70/54/1058737054.db2.gz UPIRDZJSUWCUSM-YADHBBJMSA-N 2 1 383.580 3.594 20 0 GHADMP CC[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001441245051 1058737074 /nfs/dbraw/zinc/73/70/74/1058737074.db2.gz UPIRDZJSUWCUSM-YADHBBJMSA-N 2 1 383.580 3.594 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001441348432 1058756049 /nfs/dbraw/zinc/75/60/49/1058756049.db2.gz AHFFKXSXIOPMMM-CVDCTZTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001441348432 1058756064 /nfs/dbraw/zinc/75/60/64/1058756064.db2.gz AHFFKXSXIOPMMM-CVDCTZTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001441348432 1058756080 /nfs/dbraw/zinc/75/60/80/1058756080.db2.gz AHFFKXSXIOPMMM-CVDCTZTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001442260593 1058940782 /nfs/dbraw/zinc/94/07/82/1058940782.db2.gz SZEBGYWXVLFFNV-MQSCRBSSSA-N 2 1 399.623 3.814 20 0 GHADMP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001443206448 1059084041 /nfs/dbraw/zinc/08/40/41/1059084041.db2.gz LAYVMOFEVLGTLJ-QFIPXVFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC001443206448 1059084060 /nfs/dbraw/zinc/08/40/60/1059084060.db2.gz LAYVMOFEVLGTLJ-QFIPXVFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC001443206448 1059084082 /nfs/dbraw/zinc/08/40/82/1059084082.db2.gz LAYVMOFEVLGTLJ-QFIPXVFZSA-N 2 1 389.559 3.903 20 0 GHADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC001443206448 1059084101 /nfs/dbraw/zinc/08/41/01/1059084101.db2.gz LAYVMOFEVLGTLJ-QFIPXVFZSA-N 2 1 389.559 3.903 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001444127962 1059268853 /nfs/dbraw/zinc/26/88/53/1059268853.db2.gz FFERUZSZIQNIMO-YTQUADARSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001446719895 1059839998 /nfs/dbraw/zinc/83/99/98/1059839998.db2.gz ZJJUURXUDSLKBS-CWBXHPNXSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001446719895 1059840036 /nfs/dbraw/zinc/84/00/36/1059840036.db2.gz ZJJUURXUDSLKBS-CWBXHPNXSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)[NH+]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001446719895 1059840064 /nfs/dbraw/zinc/84/00/64/1059840064.db2.gz ZJJUURXUDSLKBS-CWBXHPNXSA-N 2 1 383.580 3.524 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447099053 1059927361 /nfs/dbraw/zinc/92/73/61/1059927361.db2.gz CVCQZUUOGBMDDQ-UIAACRFSSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447099053 1059927363 /nfs/dbraw/zinc/92/73/63/1059927363.db2.gz CVCQZUUOGBMDDQ-UIAACRFSSA-N 2 1 393.934 3.605 20 0 GHADMP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001447099053 1059927365 /nfs/dbraw/zinc/92/73/65/1059927365.db2.gz CVCQZUUOGBMDDQ-UIAACRFSSA-N 2 1 393.934 3.605 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC001447500845 1059973082 /nfs/dbraw/zinc/97/30/82/1059973082.db2.gz QXGCOFBOJMTNIO-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001447500845 1059973086 /nfs/dbraw/zinc/97/30/86/1059973086.db2.gz QXGCOFBOJMTNIO-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1Cc1ccccc1 ZINC001447500845 1059973088 /nfs/dbraw/zinc/97/30/88/1059973088.db2.gz QXGCOFBOJMTNIO-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001448059686 1060092615 /nfs/dbraw/zinc/09/26/15/1060092615.db2.gz CLLYCHMWGBJNTF-QZTJIDSGSA-N 2 1 385.474 3.545 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)C2CC2)c1 ZINC001341082635 1060381268 /nfs/dbraw/zinc/38/12/68/1060381268.db2.gz CFCRNCCLVIDFEU-RUZDIDTESA-N 2 1 393.575 3.554 20 0 GHADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001346018236 1061293979 /nfs/dbraw/zinc/29/39/79/1061293979.db2.gz SSGKZYHHCJPBQG-FQEVSTJZSA-N 2 1 391.559 3.746 20 0 GHADMP [NH3+][C@@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccccc1 ZINC001346104837 1061365295 /nfs/dbraw/zinc/36/52/95/1061365295.db2.gz KEMROYWLNQTINR-SFHVURJKSA-N 2 1 377.492 3.577 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001454880605 1061950818 /nfs/dbraw/zinc/95/08/18/1061950818.db2.gz SLWYYRQRIQHCRJ-UPVQGACJSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001454880605 1061950824 /nfs/dbraw/zinc/95/08/24/1061950824.db2.gz SLWYYRQRIQHCRJ-UPVQGACJSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001454880605 1061950825 /nfs/dbraw/zinc/95/08/25/1061950825.db2.gz SLWYYRQRIQHCRJ-UPVQGACJSA-N 2 1 397.607 3.854 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)c3cccc([C@@H]4CCC[N@H+](C)C4)c3)C2)cc1 ZINC001457981703 1063481856 /nfs/dbraw/zinc/48/18/56/1063481856.db2.gz SNCLOLFNVNTMIF-RPWUZVMVSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cccc([C@@H]4CCC[NH+](C)C4)c3)C2)cc1 ZINC001457981703 1063481877 /nfs/dbraw/zinc/48/18/77/1063481877.db2.gz SNCLOLFNVNTMIF-RPWUZVMVSA-N 2 1 391.559 3.809 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cccc([C@@H]4CCC[NH+](C)C4)c3)C2)cc1 ZINC001457981703 1063481907 /nfs/dbraw/zinc/48/19/07/1063481907.db2.gz SNCLOLFNVNTMIF-RPWUZVMVSA-N 2 1 391.559 3.809 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)O2 ZINC001459604039 1064140189 /nfs/dbraw/zinc/14/01/89/1064140189.db2.gz IKODCCNUEZIFNA-JMUQELJHSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)O2 ZINC001459604039 1064140190 /nfs/dbraw/zinc/14/01/90/1064140190.db2.gz IKODCCNUEZIFNA-JMUQELJHSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)O2 ZINC001459604039 1064140191 /nfs/dbraw/zinc/14/01/91/1064140191.db2.gz IKODCCNUEZIFNA-JMUQELJHSA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)O2 ZINC001459604039 1064140193 /nfs/dbraw/zinc/14/01/93/1064140193.db2.gz IKODCCNUEZIFNA-JMUQELJHSA-N 2 1 380.532 3.984 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001459871563 1064250924 /nfs/dbraw/zinc/25/09/24/1064250924.db2.gz CKWWWTUEXRAWJF-PGRDOPGGSA-N 2 1 399.966 3.594 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCc1ccc(Cl)cc1 ZINC001459871563 1064250927 /nfs/dbraw/zinc/25/09/27/1064250927.db2.gz CKWWWTUEXRAWJF-PGRDOPGGSA-N 2 1 399.966 3.594 20 0 GHADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCc1ccc(Cl)cc1 ZINC001459871563 1064250931 /nfs/dbraw/zinc/25/09/31/1064250931.db2.gz CKWWWTUEXRAWJF-PGRDOPGGSA-N 2 1 399.966 3.594 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(I)cc2)cc1 ZINC001459875509 1064251585 /nfs/dbraw/zinc/25/15/85/1064251585.db2.gz DMBHZBQCDHBHJT-UHFFFAOYSA-N 2 1 394.300 3.985 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCC[C@H]1C ZINC001459956109 1064302550 /nfs/dbraw/zinc/30/25/50/1064302550.db2.gz WSXILLGEGWABOS-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H]1CCCC[C@H]1C ZINC001459956109 1064302569 /nfs/dbraw/zinc/30/25/69/1064302569.db2.gz WSXILLGEGWABOS-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H]1CCCC[C@H]1C ZINC001459956109 1064302594 /nfs/dbraw/zinc/30/25/94/1064302594.db2.gz WSXILLGEGWABOS-GGAORHGYSA-N 2 1 385.596 3.930 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)ccc(C4OCCO4)c3Cl)C[C@@H]2C1 ZINC001352114022 1064846479 /nfs/dbraw/zinc/84/64/79/1064846479.db2.gz XMJNVXCVEKSNKO-SOUVJXGZSA-N 2 1 382.907 3.687 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001464220353 1064913991 /nfs/dbraw/zinc/91/39/91/1064913991.db2.gz RWQQUFUYAIIQCD-XQBPLPMBSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001464220353 1064913993 /nfs/dbraw/zinc/91/39/93/1064913993.db2.gz RWQQUFUYAIIQCD-XQBPLPMBSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001464220353 1064913994 /nfs/dbraw/zinc/91/39/94/1064913994.db2.gz RWQQUFUYAIIQCD-XQBPLPMBSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001464220353 1064913995 /nfs/dbraw/zinc/91/39/95/1064913995.db2.gz RWQQUFUYAIIQCD-XQBPLPMBSA-N 2 1 389.559 3.664 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001464300823 1064947564 /nfs/dbraw/zinc/94/75/64/1064947564.db2.gz PMELOSXBZISNEC-NRFANRHFSA-N 2 1 395.547 3.520 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC001464696480 1065161857 /nfs/dbraw/zinc/16/18/57/1065161857.db2.gz QASNKLVBWVTQJV-SJLPKXTDSA-N 2 1 398.016 3.695 20 0 GHADMP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001464785325 1065209746 /nfs/dbraw/zinc/20/97/46/1065209746.db2.gz BVCQQHCNUTVADV-ZEQRLZLVSA-N 2 1 391.559 3.852 20 0 GHADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC001353777206 1066243884 /nfs/dbraw/zinc/24/38/84/1066243884.db2.gz SHNPUBPINXINLM-HXUWFJFHSA-N 2 1 381.520 3.660 20 0 GHADMP Cc1cccc(NCCNC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)[nH+]1 ZINC001467007007 1066442421 /nfs/dbraw/zinc/44/24/21/1066442421.db2.gz UYCQVQGZWUYMBW-UHFFFAOYSA-N 2 1 399.564 3.812 20 0 GHADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC001477596545 1078483309 /nfs/dbraw/zinc/48/33/09/1078483309.db2.gz WIZSHWNCMBNNOU-QINBWVTOSA-N 2 1 392.632 3.649 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001477652069 1078509495 /nfs/dbraw/zinc/50/94/95/1078509495.db2.gz IJICZGWWIPCDBT-FCHUYYIVSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001477652069 1078509502 /nfs/dbraw/zinc/50/95/02/1078509502.db2.gz IJICZGWWIPCDBT-FCHUYYIVSA-N 2 1 398.595 3.605 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001477652069 1078509513 /nfs/dbraw/zinc/50/95/13/1078509513.db2.gz IJICZGWWIPCDBT-FCHUYYIVSA-N 2 1 398.595 3.605 20 0 GHADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001477657466 1078512075 /nfs/dbraw/zinc/51/20/75/1078512075.db2.gz WVTMRRWQMNRSCB-XLIONFOSSA-N 2 1 394.991 3.724 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001467782071 1067466460 /nfs/dbraw/zinc/46/64/60/1067466460.db2.gz YODHWAJXWBOVNI-UGKGYDQZSA-N 2 1 385.596 3.566 20 0 GHADMP CC(C)Cc1ccc(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC001358318650 1067478781 /nfs/dbraw/zinc/47/87/81/1067478781.db2.gz ACQRBDOHBOWJOV-UHFFFAOYSA-N 2 1 380.536 3.603 20 0 GHADMP C[NH+](C)C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccc(Cl)cc1 ZINC001467845337 1067494147 /nfs/dbraw/zinc/49/41/47/1067494147.db2.gz FADRFBOWDMCEMX-SFHVURJKSA-N 2 1 379.976 3.756 20 0 GHADMP CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001468033191 1067574453 /nfs/dbraw/zinc/57/44/53/1067574453.db2.gz QOEOOANOAWPLFB-HXUWFJFHSA-N 2 1 394.991 3.754 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(F)cc1 ZINC001468100207 1067595548 /nfs/dbraw/zinc/59/55/48/1067595548.db2.gz RRUPRCQXYNOENC-RTWAWAEBSA-N 2 1 390.547 3.525 20 0 GHADMP C[C@H](NC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1Cl ZINC000849104096 1067730792 /nfs/dbraw/zinc/73/07/92/1067730792.db2.gz JYYDXANGLJIETD-KGLIPLIRSA-N 2 1 387.355 3.669 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC001477866963 1078602628 /nfs/dbraw/zinc/60/26/28/1078602628.db2.gz KNJMEVNUOOMVSN-HXUWFJFHSA-N 2 1 392.632 3.937 20 0 GHADMP CCC(CC)(CNC(=O)NCC[N@H+]1CCC(C)(C)C1)[NH2+][C@H](C)c1ccccc1 ZINC001468831800 1067903989 /nfs/dbraw/zinc/90/39/89/1067903989.db2.gz RGECNYRDNHPYJG-LJQANCHMSA-N 2 1 388.600 3.927 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001468872195 1067914351 /nfs/dbraw/zinc/91/43/51/1067914351.db2.gz GWFLPOLHVQUKJY-JTHBVZDNSA-N 2 1 398.595 3.920 20 0 GHADMP CC(C)[NH+](CCCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001469185627 1068016749 /nfs/dbraw/zinc/01/67/49/1068016749.db2.gz UXEPKGZWGGCBQX-NHCUHLMSSA-N 2 1 388.600 3.800 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC001470126852 1068584764 /nfs/dbraw/zinc/58/47/64/1068584764.db2.gz BMJLWYNBGDVQBX-VQTJNVASSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC001470126852 1068584772 /nfs/dbraw/zinc/58/47/72/1068584772.db2.gz BMJLWYNBGDVQBX-VQTJNVASSA-N 2 1 394.991 3.705 20 0 GHADMP CCC[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)c1ccc(Cl)cc1 ZINC001470126852 1068584777 /nfs/dbraw/zinc/58/47/77/1068584777.db2.gz BMJLWYNBGDVQBX-VQTJNVASSA-N 2 1 394.991 3.705 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1([NH+](C)Cc2ccccc2)CCCCC1 ZINC001470389542 1068718147 /nfs/dbraw/zinc/71/81/47/1068718147.db2.gz TZIZTHRTBVENGW-FQEVSTJZSA-N 2 1 388.600 3.849 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001470389542 1068718155 /nfs/dbraw/zinc/71/81/55/1068718155.db2.gz TZIZTHRTBVENGW-FQEVSTJZSA-N 2 1 388.600 3.849 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001470389542 1068718164 /nfs/dbraw/zinc/71/81/64/1068718164.db2.gz TZIZTHRTBVENGW-FQEVSTJZSA-N 2 1 388.600 3.849 20 0 GHADMP OC[C@H]1C[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC[C@@H]1C(F)(F)F ZINC001460085414 1068771439 /nfs/dbraw/zinc/77/14/39/1068771439.db2.gz PWVGTVBKJQDPJA-RTWAWAEBSA-N 2 1 398.513 3.824 20 0 GHADMP OC[C@H]1C[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC[C@@H]1C(F)(F)F ZINC001460085414 1068771445 /nfs/dbraw/zinc/77/14/45/1068771445.db2.gz PWVGTVBKJQDPJA-RTWAWAEBSA-N 2 1 398.513 3.824 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC001479016194 1079065154 /nfs/dbraw/zinc/06/51/54/1079065154.db2.gz SQPHOEBKYWOPNM-QHCPKHFHSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001479016194 1079065162 /nfs/dbraw/zinc/06/51/62/1079065162.db2.gz SQPHOEBKYWOPNM-QHCPKHFHSA-N 2 1 398.595 3.559 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1Cc1ccccc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001479016194 1079065169 /nfs/dbraw/zinc/06/51/69/1079065169.db2.gz SQPHOEBKYWOPNM-QHCPKHFHSA-N 2 1 398.595 3.559 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC001479147109 1079123684 /nfs/dbraw/zinc/12/36/84/1079123684.db2.gz DUPCKGCEVBAMOT-VWRAKTAISA-N 2 1 392.632 3.935 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCCCC1 ZINC001479221588 1079159593 /nfs/dbraw/zinc/15/95/93/1079159593.db2.gz JJIWGQJYMBTKCG-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCCCC1 ZINC001479221588 1079159596 /nfs/dbraw/zinc/15/95/96/1079159596.db2.gz JJIWGQJYMBTKCG-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](Cc1ccccc1)C1(CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCCCC1 ZINC001479221588 1079159601 /nfs/dbraw/zinc/15/96/01/1079159601.db2.gz JJIWGQJYMBTKCG-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1noc([C@H]2CCC[N@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1 ZINC001473117377 1073787761 /nfs/dbraw/zinc/78/77/61/1073787761.db2.gz INPAJDFXRYIMLC-QFIPXVFZSA-N 2 1 382.552 3.902 20 0 GHADMP Cc1noc([C@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)n1 ZINC001473117377 1073787766 /nfs/dbraw/zinc/78/77/66/1073787766.db2.gz INPAJDFXRYIMLC-QFIPXVFZSA-N 2 1 382.552 3.902 20 0 GHADMP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001473341917 1073927647 /nfs/dbraw/zinc/92/76/47/1073927647.db2.gz IQIIKKHKPFVEQK-OAHLLOKOSA-N 2 1 382.533 3.817 20 0 GHADMP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001473341917 1073927651 /nfs/dbraw/zinc/92/76/51/1073927651.db2.gz IQIIKKHKPFVEQK-OAHLLOKOSA-N 2 1 382.533 3.817 20 0 GHADMP CCC1(CC)CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CC1 ZINC001473395003 1073947774 /nfs/dbraw/zinc/94/77/74/1073947774.db2.gz FHPJKHKIPCTNIG-UHFFFAOYSA-N 2 1 385.596 3.932 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001473427166 1073960268 /nfs/dbraw/zinc/96/02/68/1073960268.db2.gz SWWDDYASRCJTFD-IBGZPJMESA-N 2 1 379.589 3.831 20 0 GHADMP C[N@@H+](CC[C@H]1CCc2ccccc21)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473463860 1073978385 /nfs/dbraw/zinc/97/83/85/1073978385.db2.gz XIYHXRVQJZUTKD-XMMPIXPASA-N 2 1 377.576 3.856 20 0 GHADMP Cc1ccc(C[C@]2(C)CCC[N@@H+]2CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC001473686805 1074087027 /nfs/dbraw/zinc/08/70/27/1074087027.db2.gz KXWNGFVGSMHQPB-NOZRDPDXSA-N 2 1 393.575 3.811 20 0 GHADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001479516742 1079222436 /nfs/dbraw/zinc/22/24/36/1079222436.db2.gz YTKBENMLLREJSG-HIUFNZKISA-N 2 1 388.600 3.656 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cccc(I)c2)C1 ZINC001473936145 1074210500 /nfs/dbraw/zinc/21/05/00/1074210500.db2.gz WNPSATRIFILPHD-HUUCEWRRSA-N 2 1 386.321 3.749 20 0 GHADMP CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC001473975219 1074223284 /nfs/dbraw/zinc/22/32/84/1074223284.db2.gz VVFCCGFZRMAJLJ-KNQAVFIVSA-N 2 1 392.609 3.940 20 0 GHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001474163756 1074280174 /nfs/dbraw/zinc/28/01/74/1074280174.db2.gz CJSKQQZNJGXRRC-RTBURBONSA-N 2 1 397.604 3.645 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001474163756 1074280182 /nfs/dbraw/zinc/28/01/82/1074280182.db2.gz CJSKQQZNJGXRRC-RTBURBONSA-N 2 1 397.604 3.645 20 0 GHADMP c1c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]nc1-c1ccccn1 ZINC001474169137 1074282229 /nfs/dbraw/zinc/28/22/29/1074282229.db2.gz WXMJBPPKLYMGCO-HXUWFJFHSA-N 2 1 375.520 3.864 20 0 GHADMP c1c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]nc1-c1ccccn1 ZINC001474169137 1074282234 /nfs/dbraw/zinc/28/22/34/1074282234.db2.gz WXMJBPPKLYMGCO-HXUWFJFHSA-N 2 1 375.520 3.864 20 0 GHADMP CC[NH+]1CCC(C[NH+]2CCN(C(=O)c3sc4ccccc4c3C)CC2)CC1 ZINC001474318088 1074340268 /nfs/dbraw/zinc/34/02/68/1074340268.db2.gz PNPHCJTUSSTJDN-UHFFFAOYSA-N 2 1 385.577 3.699 20 0 GHADMP COc1cc2ccccc2cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001474358869 1074362220 /nfs/dbraw/zinc/36/22/20/1074362220.db2.gz NNJKLWVFQRSSRF-UHFFFAOYSA-N 2 1 381.564 3.839 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001474722075 1074533313 /nfs/dbraw/zinc/53/33/13/1074533313.db2.gz CMKZEKJUPQIGIK-NFBKMPQASA-N 2 1 378.516 3.973 20 0 GHADMP COC(=O)c1ccccc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001474722075 1074533316 /nfs/dbraw/zinc/53/33/16/1074533316.db2.gz CMKZEKJUPQIGIK-NFBKMPQASA-N 2 1 378.516 3.973 20 0 GHADMP CCOc1c(Br)cc(C[NH2+]CCC[NH+](C)C)cc1Br ZINC000020477812 570948302 /nfs/dbraw/zinc/94/83/02/570948302.db2.gz UNQFOFWBBXCWAL-UHFFFAOYSA-N 2 1 394.151 3.652 20 0 GHADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000736194572 599312770 /nfs/dbraw/zinc/31/27/70/599312770.db2.gz AZKDEXZBHWQUDD-SFHVURJKSA-N 2 1 390.535 3.772 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)C1 ZINC000820650641 606408568 /nfs/dbraw/zinc/40/85/68/606408568.db2.gz WUDFQTKBJSRDHD-IYBDPMFKSA-N 2 1 396.564 3.696 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414505 607088239 /nfs/dbraw/zinc/08/82/39/607088239.db2.gz YQOTZEZHAVDXCE-FIKGOQFSSA-N 2 1 376.508 3.570 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820414505 607088241 /nfs/dbraw/zinc/08/82/41/607088241.db2.gz YQOTZEZHAVDXCE-FIKGOQFSSA-N 2 1 376.508 3.570 20 0 GHADMP CC(C)[N@H+](C)Cc1nn(-c2nccc3cc(F)c(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164679756 719647042 /nfs/dbraw/zinc/64/70/42/719647042.db2.gz LYCJMZOIDHYOKX-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3cc(F)c(Cl)cc32)c2c1CC[NH2+]C2 ZINC001164679756 719647050 /nfs/dbraw/zinc/64/70/50/719647050.db2.gz LYCJMZOIDHYOKX-UHFFFAOYSA-N 2 1 387.890 3.699 20 0 GHADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C[NH+](C)C)ccn2)CC3)cs1 ZINC001164692201 719815400 /nfs/dbraw/zinc/81/54/00/719815400.db2.gz OCFNLTFNAAGIRO-UHFFFAOYSA-N 2 1 385.581 3.543 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c(C)c[nH+]1)CC2 ZINC001164714831 720147185 /nfs/dbraw/zinc/14/71/85/720147185.db2.gz ZQUMKHFNROMYNT-NRFANRHFSA-N 2 1 380.536 3.601 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000261465663 837451539 /nfs/dbraw/zinc/45/15/39/837451539.db2.gz YERMLPLWQHMBOX-OAQYLSRUSA-N 2 1 395.547 3.868 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543554 837473017 /nfs/dbraw/zinc/47/30/17/837473017.db2.gz PHADKSYJPGLBRM-UXHICEINSA-N 2 1 395.547 3.881 20 0 GHADMP OC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000414380542 837522516 /nfs/dbraw/zinc/52/25/16/837522516.db2.gz OOMCWGGQGSIVGE-LJQANCHMSA-N 2 1 381.358 3.869 20 0 GHADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000176240132 837529302 /nfs/dbraw/zinc/52/93/02/837529302.db2.gz FILFXCQTYYCKTC-XMSQKQJNSA-N 2 1 395.551 3.591 20 0 GHADMP COc1ccccc1Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655710790 837703722 /nfs/dbraw/zinc/70/37/22/837703722.db2.gz FKNKXXIDCGNZSY-HXUWFJFHSA-N 2 1 382.504 3.830 20 0 GHADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000583526365 834570529 /nfs/dbraw/zinc/57/05/29/834570529.db2.gz IKBWJMOANSCVPN-UZVYXBEXSA-N 2 1 382.552 3.623 20 0 GHADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1CCCc1ccccc1 ZINC000090219272 834603862 /nfs/dbraw/zinc/60/38/62/834603862.db2.gz ZFAFBJHYQHGGAA-QHCPKHFHSA-N 2 1 383.580 3.607 20 0 GHADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821193 834689588 /nfs/dbraw/zinc/68/95/88/834689588.db2.gz TUXYNTPXSCLLHE-UHFFFAOYSA-N 2 1 380.536 3.875 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cs2)cc1 ZINC000650721822 834698469 /nfs/dbraw/zinc/69/84/69/834698469.db2.gz CIBIZRCULWZJEX-NSISKUIASA-N 2 1 387.549 3.680 20 0 GHADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723403 834703076 /nfs/dbraw/zinc/70/30/76/834703076.db2.gz NJPUDDDYPVSZJX-HMXCVIKNSA-N 2 1 388.943 3.695 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000472296055 834781872 /nfs/dbraw/zinc/78/18/72/834781872.db2.gz SVJRNJOTZLBINH-SJLPKXTDSA-N 2 1 390.503 3.678 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000472296055 834781878 /nfs/dbraw/zinc/78/18/78/834781878.db2.gz SVJRNJOTZLBINH-SJLPKXTDSA-N 2 1 390.503 3.678 20 0 GHADMP CCCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000246560838 834932158 /nfs/dbraw/zinc/93/21/58/834932158.db2.gz UJEAWAUBOBTPKD-GLCCWIKHSA-N 2 1 383.580 3.810 20 0 GHADMP O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685443010 835012992 /nfs/dbraw/zinc/01/29/92/835012992.db2.gz HJBYGPCJIQMHJE-RUZDIDTESA-N 2 1 389.543 3.677 20 0 GHADMP O=C(NC1CC1)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000685443010 835013002 /nfs/dbraw/zinc/01/30/02/835013002.db2.gz HJBYGPCJIQMHJE-RUZDIDTESA-N 2 1 389.543 3.677 20 0 GHADMP O=C(NC1CC1)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685443010 835013013 /nfs/dbraw/zinc/01/30/13/835013013.db2.gz HJBYGPCJIQMHJE-RUZDIDTESA-N 2 1 389.543 3.677 20 0 GHADMP O=C(NC1CC1)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000685443010 835013023 /nfs/dbraw/zinc/01/30/23/835013023.db2.gz HJBYGPCJIQMHJE-RUZDIDTESA-N 2 1 389.543 3.677 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274758084 835037819 /nfs/dbraw/zinc/03/78/19/835037819.db2.gz JHIVADQJINZHCX-WIYYLYMNSA-N 2 1 379.504 3.643 20 0 GHADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC000066038123 835162131 /nfs/dbraw/zinc/16/21/31/835162131.db2.gz BPCITDZAOVKJJT-UHFFFAOYSA-N 2 1 392.632 3.985 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3SC)CC2)CC1 ZINC000655160349 835316633 /nfs/dbraw/zinc/31/66/33/835316633.db2.gz XJTPOEJSXAMKRL-UHFFFAOYSA-N 2 1 379.545 3.682 20 0 GHADMP COCCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658138014 835461442 /nfs/dbraw/zinc/46/14/42/835461442.db2.gz LTJMDHSSQVOFTE-PKTZIBPZSA-N 2 1 386.511 3.650 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C2CC2)c(F)c1 ZINC000658141070 835467118 /nfs/dbraw/zinc/46/71/18/835467118.db2.gz VZUHYJZZVYOUFW-XXBNENTESA-N 2 1 384.495 3.642 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)CC(C)C ZINC000069154886 835499533 /nfs/dbraw/zinc/49/95/33/835499533.db2.gz WFZOTUPSKGNRSU-HXUWFJFHSA-N 2 1 394.629 3.536 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658319319 835572809 /nfs/dbraw/zinc/57/28/09/835572809.db2.gz ZMHVDRUQUMFTNX-KNQAVFIVSA-N 2 1 379.548 3.913 20 0 GHADMP CCOc1ccccc1NC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274811489 835585237 /nfs/dbraw/zinc/58/52/37/835585237.db2.gz HXLBEQNCGDIYGH-QUCCMNQESA-N 2 1 381.520 3.524 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c(OC)c1OC ZINC000472365948 835663973 /nfs/dbraw/zinc/66/39/73/835663973.db2.gz GXZBFCZJUFLAHX-SFTDATJTSA-N 2 1 398.547 3.885 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000154448865 835674053 /nfs/dbraw/zinc/67/40/53/835674053.db2.gz CNJJJVPGOYYUFQ-MRXNPFEDSA-N 2 1 398.389 3.526 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000109348066 835837162 /nfs/dbraw/zinc/83/71/62/835837162.db2.gz NBEXZRXFDBXHPP-OAQYLSRUSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000471959964 844096378 /nfs/dbraw/zinc/09/63/78/844096378.db2.gz BITCPNMIRHXIBO-AWEZNQCLSA-N 2 1 386.367 3.581 20 0 GHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471217800 835932291 /nfs/dbraw/zinc/93/22/91/835932291.db2.gz DEHLNGIFTQLWDF-IBGZPJMESA-N 2 1 397.538 3.847 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](c2cc(F)cc(Br)c2)C(C)C)CC1 ZINC000657850599 835934000 /nfs/dbraw/zinc/93/40/00/835934000.db2.gz WMTSJKNFGADETF-SFHVURJKSA-N 2 1 387.337 3.986 20 0 GHADMP CN1C(=O)CCc2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)ccc21 ZINC000278746781 835947344 /nfs/dbraw/zinc/94/73/44/835947344.db2.gz AQBADBBITQNXNE-UHFFFAOYSA-N 2 1 378.520 3.508 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000236179763 844111231 /nfs/dbraw/zinc/11/12/31/844111231.db2.gz VADUDHCSALSDOB-NSHDSACASA-N 2 1 376.136 3.772 20 0 GHADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC000236179763 844111235 /nfs/dbraw/zinc/11/12/35/844111235.db2.gz VADUDHCSALSDOB-NSHDSACASA-N 2 1 376.136 3.772 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1F ZINC000180503815 836182818 /nfs/dbraw/zinc/18/28/18/836182818.db2.gz ALMJDFFWQOBMPL-SIKLNZKXSA-N 2 1 383.511 3.764 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483550 844156998 /nfs/dbraw/zinc/15/69/98/844156998.db2.gz HNEODEJGNDCHTA-OFNKIYASSA-N 2 1 379.548 3.523 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC1CCC(C)(C)CC1 ZINC000431661739 836415833 /nfs/dbraw/zinc/41/58/33/836415833.db2.gz RCOUXQWVWRQZIF-UHFFFAOYSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1cc2oc(=O)cc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)c2cc1C(C)C ZINC000177380269 836436319 /nfs/dbraw/zinc/43/63/19/836436319.db2.gz BOAGMUMMQDDRBX-UHFFFAOYSA-N 2 1 399.579 3.683 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC([NH2+]C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000893819329 844167660 /nfs/dbraw/zinc/16/76/60/844167660.db2.gz JVAIRSNGJPSZTJ-TZIWHRDSSA-N 2 1 398.595 3.603 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000246961285 836486771 /nfs/dbraw/zinc/48/67/71/836486771.db2.gz RMRSPVAAACLLRT-GIVPXCGWSA-N 2 1 385.577 3.940 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000246961285 836486779 /nfs/dbraw/zinc/48/67/79/836486779.db2.gz RMRSPVAAACLLRT-GIVPXCGWSA-N 2 1 385.577 3.940 20 0 GHADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000246961285 836486784 /nfs/dbraw/zinc/48/67/84/836486784.db2.gz RMRSPVAAACLLRT-GIVPXCGWSA-N 2 1 385.577 3.940 20 0 GHADMP CCc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000548950087 836537698 /nfs/dbraw/zinc/53/76/98/836537698.db2.gz KAZVDTYFGRWKKU-UHFFFAOYSA-N 2 1 393.575 3.770 20 0 GHADMP CCc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000548950087 836537707 /nfs/dbraw/zinc/53/77/07/836537707.db2.gz KAZVDTYFGRWKKU-UHFFFAOYSA-N 2 1 393.575 3.770 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000473494787 844183100 /nfs/dbraw/zinc/18/31/00/844183100.db2.gz IJKAYNMRWPEHKY-VWLOTQADSA-N 2 1 391.559 3.877 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000471276882 836794477 /nfs/dbraw/zinc/79/44/77/836794477.db2.gz KRPKPUCDBTUARN-GHTZIAJQSA-N 2 1 385.939 3.581 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000471276882 836794481 /nfs/dbraw/zinc/79/44/81/836794481.db2.gz KRPKPUCDBTUARN-GHTZIAJQSA-N 2 1 385.939 3.581 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(NC(=O)OC(C)(C)C)cnn2C)C1 ZINC000892587573 836822951 /nfs/dbraw/zinc/82/29/51/836822951.db2.gz AQXZNRDQSAUHIV-CALCHBBNSA-N 2 1 393.576 3.615 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000431696803 836901243 /nfs/dbraw/zinc/90/12/43/836901243.db2.gz FHRZATPULBSVJG-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431696803 836901249 /nfs/dbraw/zinc/90/12/49/836901249.db2.gz FHRZATPULBSVJG-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431696803 836901256 /nfs/dbraw/zinc/90/12/56/836901256.db2.gz FHRZATPULBSVJG-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659022910 837273976 /nfs/dbraw/zinc/27/39/76/837273976.db2.gz XRPGIHSHXJBZJI-HXUWFJFHSA-N 2 1 378.520 3.569 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)cc1)C(C)C ZINC000110121078 844254964 /nfs/dbraw/zinc/25/49/64/844254964.db2.gz BZJBKXZVXSJITC-QHCPKHFHSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1)C(C)C ZINC000110121078 844254966 /nfs/dbraw/zinc/25/49/66/844254966.db2.gz BZJBKXZVXSJITC-QHCPKHFHSA-N 2 1 379.548 3.921 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)C(C)C ZINC000110121078 844254973 /nfs/dbraw/zinc/25/49/73/844254973.db2.gz BZJBKXZVXSJITC-QHCPKHFHSA-N 2 1 379.548 3.921 20 0 GHADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000659024401 837285275 /nfs/dbraw/zinc/28/52/75/837285275.db2.gz BSESESIXZVHTSE-NRFANRHFSA-N 2 1 392.547 3.878 20 0 GHADMP O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000471371538 837372423 /nfs/dbraw/zinc/37/24/23/837372423.db2.gz XNNZKQSQUUJCJY-UHFFFAOYSA-N 2 1 395.572 3.622 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000471371538 837372433 /nfs/dbraw/zinc/37/24/33/837372433.db2.gz XNNZKQSQUUJCJY-UHFFFAOYSA-N 2 1 395.572 3.622 20 0 GHADMP C[N@H+]1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000423467465 837908707 /nfs/dbraw/zinc/90/87/07/837908707.db2.gz IZEIJOXVDYCPQG-IQFVJIFQSA-N 2 1 381.539 3.944 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000423467465 837908713 /nfs/dbraw/zinc/90/87/13/837908713.db2.gz IZEIJOXVDYCPQG-IQFVJIFQSA-N 2 1 381.539 3.944 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431851660 837966724 /nfs/dbraw/zinc/96/67/24/837966724.db2.gz QIILNAPUAGIKLO-JTHBVZDNSA-N 2 1 379.548 3.660 20 0 GHADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000052119951 844278936 /nfs/dbraw/zinc/27/89/36/844278936.db2.gz VPGJVXKURKTHPI-UHFFFAOYSA-N 2 1 388.313 3.546 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c2)C[C@@H](C)O1 ZINC000121396742 838012195 /nfs/dbraw/zinc/01/21/95/838012195.db2.gz QJZSYKBHAAAASY-QZTJIDSGSA-N 2 1 381.520 3.610 20 0 GHADMP O=C1[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1c1ccccc1 ZINC000535679174 844285680 /nfs/dbraw/zinc/28/56/80/844285680.db2.gz DZFDGAIPSIGLHM-QHCPKHFHSA-N 2 1 389.543 3.780 20 0 GHADMP CN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275621071 838049740 /nfs/dbraw/zinc/04/97/40/838049740.db2.gz JKRQHGSNRGNEEO-NRFANRHFSA-N 2 1 380.536 3.529 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659279450 838055810 /nfs/dbraw/zinc/05/58/10/838055810.db2.gz AAEKGHJKAVZOHC-OFNKIYASSA-N 2 1 391.559 3.659 20 0 GHADMP CCCn1c2ccccc2nc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000579970385 838166885 /nfs/dbraw/zinc/16/68/85/838166885.db2.gz CRFLCVPQXPUDCW-UHFFFAOYSA-N 2 1 397.567 3.581 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000535684659 844306427 /nfs/dbraw/zinc/30/64/27/844306427.db2.gz AJTDTGBWVWBOJO-UTKZUKDTSA-N 2 1 398.526 3.522 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C1 ZINC000535684663 844306638 /nfs/dbraw/zinc/30/66/38/844306638.db2.gz AJTDTGBWVWBOJO-UWJYYQICSA-N 2 1 398.526 3.522 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000424328954 838257117 /nfs/dbraw/zinc/25/71/17/838257117.db2.gz QBVYXPKBMDDFMA-XZOQPEGZSA-N 2 1 379.548 3.551 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)CCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000424328954 838257128 /nfs/dbraw/zinc/25/71/28/838257128.db2.gz QBVYXPKBMDDFMA-XZOQPEGZSA-N 2 1 379.548 3.551 20 0 GHADMP CC[NH2+]Cc1cccc(NC(=O)N(Cc2ccncc2)C[C@H]2CCC[N@H+]2CC)c1 ZINC000415903941 838257284 /nfs/dbraw/zinc/25/72/84/838257284.db2.gz FMNGDZMZSLXOGZ-JOCHJYFZSA-N 2 1 395.551 3.710 20 0 GHADMP Cc1cccc(C2(C(=O)N(C)CCC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000378001818 838265082 /nfs/dbraw/zinc/26/50/82/838265082.db2.gz KGYSIRZFBWKYGF-UHFFFAOYSA-N 2 1 397.607 3.681 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415910468 838267816 /nfs/dbraw/zinc/26/78/16/838267816.db2.gz HSSRJQGBRVZLFU-OEWRPIJISA-N 2 1 380.536 3.684 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000415945493 838298682 /nfs/dbraw/zinc/29/86/82/838298682.db2.gz DDTREXMEFCVTGX-VQTJNVASSA-N 2 1 388.462 3.769 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000415945493 838298691 /nfs/dbraw/zinc/29/86/91/838298691.db2.gz DDTREXMEFCVTGX-VQTJNVASSA-N 2 1 388.462 3.769 20 0 GHADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690747 838312792 /nfs/dbraw/zinc/31/27/92/838312792.db2.gz OMKIKFIIVLMNFZ-KIHHCIJBSA-N 2 1 394.559 3.828 20 0 GHADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970623 838340143 /nfs/dbraw/zinc/34/01/43/838340143.db2.gz FIWUUBBADJXTSY-OAQYLSRUSA-N 2 1 380.536 3.740 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000415977099 838341945 /nfs/dbraw/zinc/34/19/45/838341945.db2.gz BCDJWHLXGARARZ-NRFANRHFSA-N 2 1 380.536 3.828 20 0 GHADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659383958 838342670 /nfs/dbraw/zinc/34/26/70/838342670.db2.gz WWDKSMZHZMPMIU-YPAWHYETSA-N 2 1 383.580 3.703 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000415976601 838343687 /nfs/dbraw/zinc/34/36/87/838343687.db2.gz WDNAOYVJVXCUIN-FRIKZZABSA-N 2 1 378.520 3.723 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000782918888 838389233 /nfs/dbraw/zinc/38/92/33/838389233.db2.gz IBXPBLAKCWHXSU-UHFFFAOYSA-N 2 1 385.552 3.648 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416165225 838658024 /nfs/dbraw/zinc/65/80/24/838658024.db2.gz DWGUZRYMDHVOPH-NHCUHLMSSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416165225 838658026 /nfs/dbraw/zinc/65/80/26/838658026.db2.gz DWGUZRYMDHVOPH-NHCUHLMSSA-N 2 1 383.580 3.548 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416165225 838658031 /nfs/dbraw/zinc/65/80/31/838658031.db2.gz DWGUZRYMDHVOPH-NHCUHLMSSA-N 2 1 383.580 3.548 20 0 GHADMP CSc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[NH+](C)C)cc1 ZINC000580118541 838903398 /nfs/dbraw/zinc/90/33/98/838903398.db2.gz GSMDQWVGVYFFMA-PMACEKPBSA-N 2 1 375.582 3.534 20 0 GHADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000580142859 838961531 /nfs/dbraw/zinc/96/15/31/838961531.db2.gz XTHZRPKNPGLHLG-JOCHJYFZSA-N 2 1 387.612 3.853 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415032861 839094964 /nfs/dbraw/zinc/09/49/64/839094964.db2.gz BCMDWERARWJTTD-DLBZAZTESA-N 2 1 386.458 3.990 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000460345447 839131153 /nfs/dbraw/zinc/13/11/53/839131153.db2.gz GSOIUAORJDJGOL-FZWXVRBQSA-N 2 1 391.559 3.712 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000460345447 839131160 /nfs/dbraw/zinc/13/11/60/839131160.db2.gz GSOIUAORJDJGOL-FZWXVRBQSA-N 2 1 391.559 3.712 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1cccc(Cl)c1 ZINC000460346400 839149527 /nfs/dbraw/zinc/14/95/27/839149527.db2.gz GOZXHMWNZODRTE-ROUUACIJSA-N 2 1 399.966 3.702 20 0 GHADMP CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000580304700 839215166 /nfs/dbraw/zinc/21/51/66/839215166.db2.gz TWWQZSTWDSDITP-ISKFKSNPSA-N 2 1 382.548 3.536 20 0 GHADMP C[C@@H]1CCC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000431886108 839402960 /nfs/dbraw/zinc/40/29/60/839402960.db2.gz XFULTZDSXHKNEK-DXIQSLLYSA-N 2 1 392.632 3.649 20 0 GHADMP CCC1(CNC(=O)NCCCn2cc[nH+]c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000511575897 839534116 /nfs/dbraw/zinc/53/41/16/839534116.db2.gz ASWJJWWPNWGLJV-UHFFFAOYSA-N 2 1 397.567 3.573 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1)C1CC1 ZINC000458205050 844449494 /nfs/dbraw/zinc/44/94/94/844449494.db2.gz RKPJJMSQFIWOAM-UHFFFAOYSA-N 2 1 385.577 3.936 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2nccc2-c2cccnc2)CC1 ZINC000066793791 839764819 /nfs/dbraw/zinc/76/48/19/839764819.db2.gz ZUUMJTDUJRSTFN-UHFFFAOYSA-N 2 1 375.520 3.747 20 0 GHADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000047969765 839899973 /nfs/dbraw/zinc/89/99/73/839899973.db2.gz UTJPFHDCTZRXKB-LJQANCHMSA-N 2 1 379.548 3.825 20 0 GHADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cccc2ccccc21 ZINC000047969762 839900103 /nfs/dbraw/zinc/90/01/03/839900103.db2.gz UTJPFHDCTZRXKB-IBGZPJMESA-N 2 1 379.548 3.825 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1CN(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000656262786 839913790 /nfs/dbraw/zinc/91/37/90/839913790.db2.gz ZGMOWCPSBZPTIW-KBXCAEBGSA-N 2 1 391.357 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000656262786 839913799 /nfs/dbraw/zinc/91/37/99/839913799.db2.gz ZGMOWCPSBZPTIW-KBXCAEBGSA-N 2 1 391.357 3.715 20 0 GHADMP Cc1nn(-c2ccccc2Br)cc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000656262786 839913805 /nfs/dbraw/zinc/91/38/05/839913805.db2.gz ZGMOWCPSBZPTIW-KBXCAEBGSA-N 2 1 391.357 3.715 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000580641260 839947004 /nfs/dbraw/zinc/94/70/04/839947004.db2.gz MQGDIKDSZDUUDU-JQVVWYNYSA-N 2 1 388.577 3.723 20 0 GHADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000580641260 839947013 /nfs/dbraw/zinc/94/70/13/839947013.db2.gz MQGDIKDSZDUUDU-JQVVWYNYSA-N 2 1 388.577 3.723 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[NH+](C)C ZINC000510342692 840112159 /nfs/dbraw/zinc/11/21/59/840112159.db2.gz OQACFDQYCUFAND-IBGZPJMESA-N 2 1 395.503 3.536 20 0 GHADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000511585521 840178459 /nfs/dbraw/zinc/17/84/59/840178459.db2.gz LEHSJXWIZTUEDK-UHFFFAOYSA-N 2 1 379.548 3.877 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000511585521 840178466 /nfs/dbraw/zinc/17/84/66/840178466.db2.gz LEHSJXWIZTUEDK-UHFFFAOYSA-N 2 1 379.548 3.877 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000416974785 840332197 /nfs/dbraw/zinc/33/21/97/840332197.db2.gz LVCPUJSXKDZZMZ-UFYCRDLUSA-N 2 1 386.584 3.625 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000364036013 840511470 /nfs/dbraw/zinc/51/14/70/840511470.db2.gz RKSAZWZKCGOCSQ-ICSRJNTNSA-N 2 1 386.584 3.684 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510363327 840514064 /nfs/dbraw/zinc/51/40/64/840514064.db2.gz LDSQCFLKOFFLIJ-FQEVSTJZSA-N 2 1 398.595 3.688 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000417224636 840603148 /nfs/dbraw/zinc/60/31/48/840603148.db2.gz RSAOIOHDPYPERP-HSZRJFAPSA-N 2 1 386.584 3.640 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000417229648 840608863 /nfs/dbraw/zinc/60/88/63/840608863.db2.gz XXXQKBHJTSFLTA-NRFANRHFSA-N 2 1 386.584 3.783 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)C[N@H+]1Cc1ccccc1 ZINC000511772648 840699429 /nfs/dbraw/zinc/69/94/29/840699429.db2.gz NAQVKIWGNZBMQJ-XLIONFOSSA-N 2 1 379.504 3.522 20 0 GHADMP C[C@@H]1C[NH+](CCC2CCN(c3cc[nH+]cc3Br)CC2)C[C@@H](C)O1 ZINC000548154321 840861210 /nfs/dbraw/zinc/86/12/10/840861210.db2.gz ULBUGSCIMAGFNI-HUUCEWRRSA-N 2 1 382.346 3.560 20 0 GHADMP COCC1(C[NH+]2CCCC3(CCC[N@H+](CC4(COC)CCC4)C3)C2)CCC1 ZINC000463210492 840874558 /nfs/dbraw/zinc/87/45/58/840874558.db2.gz GMMFQMQESHIUOB-UHFFFAOYSA-N 2 1 378.601 3.798 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000512571368 844590076 /nfs/dbraw/zinc/59/00/76/844590076.db2.gz BAIRWHGNGALUQM-DENIHFKCSA-N 2 1 379.548 3.779 20 0 GHADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000544143138 840946916 /nfs/dbraw/zinc/94/69/16/840946916.db2.gz YQGYTMVQYLFDOL-WMZOPIPTSA-N 2 1 381.358 3.806 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000544143138 840946923 /nfs/dbraw/zinc/94/69/23/840946923.db2.gz YQGYTMVQYLFDOL-WMZOPIPTSA-N 2 1 381.358 3.806 20 0 GHADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000544143138 840946933 /nfs/dbraw/zinc/94/69/33/840946933.db2.gz YQGYTMVQYLFDOL-WMZOPIPTSA-N 2 1 381.358 3.806 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000247330171 841137943 /nfs/dbraw/zinc/13/79/43/841137943.db2.gz YDGYIWZDRJJORG-PMACEKPBSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000247330171 841137952 /nfs/dbraw/zinc/13/79/52/841137952.db2.gz YDGYIWZDRJJORG-PMACEKPBSA-N 2 1 386.584 3.544 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247330171 841137966 /nfs/dbraw/zinc/13/79/66/841137966.db2.gz YDGYIWZDRJJORG-PMACEKPBSA-N 2 1 386.584 3.544 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000581377091 841197334 /nfs/dbraw/zinc/19/73/34/841197334.db2.gz ADILZSJTFGXGSL-IPMKNSEASA-N 2 1 397.485 3.745 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000581377091 841197338 /nfs/dbraw/zinc/19/73/38/841197338.db2.gz ADILZSJTFGXGSL-IPMKNSEASA-N 2 1 397.485 3.745 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417827157 841208166 /nfs/dbraw/zinc/20/81/66/841208166.db2.gz PDSGFOVCSQAGSE-OIBXWCBGSA-N 2 1 394.563 3.676 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccccc2C(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000417948140 841307679 /nfs/dbraw/zinc/30/76/79/841307679.db2.gz HLCURXYDELTHKI-FPOVZHCZSA-N 2 1 379.548 3.779 20 0 GHADMP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430594439 841313156 /nfs/dbraw/zinc/31/31/56/841313156.db2.gz VVMGLAMWILGSQY-SFHVURJKSA-N 2 1 397.519 3.636 20 0 GHADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000177491490 861193356 /nfs/dbraw/zinc/19/33/56/861193356.db2.gz TZNLDEBDHMWUIJ-SFTDATJTSA-N 2 1 396.579 3.643 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(SC(=O)N(C)C)cc2)[C@H](C)C1 ZINC000276213539 841379209 /nfs/dbraw/zinc/37/92/09/841379209.db2.gz KWGWWUFCWBOQJH-YLJYHZDGSA-N 2 1 393.597 3.687 20 0 GHADMP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000581429908 841387119 /nfs/dbraw/zinc/38/71/19/841387119.db2.gz OLVVVTTZNGZFHB-LSDHHAIUSA-N 2 1 380.414 3.577 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000581488989 841535280 /nfs/dbraw/zinc/53/52/80/841535280.db2.gz ITWPJYBAJGMGMQ-RTWAWAEBSA-N 2 1 387.531 3.756 20 0 GHADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1 ZINC000418343379 841863150 /nfs/dbraw/zinc/86/31/50/841863150.db2.gz FXQOUSGUFISZJR-OAQYLSRUSA-N 2 1 386.540 3.566 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c2C)cc1 ZINC000656782027 841912656 /nfs/dbraw/zinc/91/26/56/841912656.db2.gz CUORZAOFJFHPLK-QFIPXVFZSA-N 2 1 396.579 3.768 20 0 GHADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000047676056 842012629 /nfs/dbraw/zinc/01/26/29/842012629.db2.gz VHUQXUMPVNQBGN-UHFFFAOYSA-N 2 1 397.947 3.792 20 0 GHADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000047676056 842012640 /nfs/dbraw/zinc/01/26/40/842012640.db2.gz VHUQXUMPVNQBGN-UHFFFAOYSA-N 2 1 397.947 3.792 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CCOCC3)CC[C@H]21 ZINC001167823988 842013948 /nfs/dbraw/zinc/01/39/48/842013948.db2.gz GBLZRCPBQOYOGB-MLDBQTBOSA-N 2 1 396.616 3.562 20 0 GHADMP CSc1cccc(NC(=O)CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278920656 842042995 /nfs/dbraw/zinc/04/29/95/842042995.db2.gz ROCLMYZILQLQFL-UHFFFAOYSA-N 2 1 384.549 3.759 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001167826345 842057776 /nfs/dbraw/zinc/05/77/76/842057776.db2.gz XHLUFTBMFUDMPS-LJQANCHMSA-N 2 1 388.556 3.909 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@]2(CCN(Cc3cccc(C)c3)C2=O)C1 ZINC001167826353 842057945 /nfs/dbraw/zinc/05/79/45/842057945.db2.gz XLQWJMCMTZDSSV-XUZZJYLKSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001167826744 842065818 /nfs/dbraw/zinc/06/58/18/842065818.db2.gz QXYJEUAODODKGP-HXUWFJFHSA-N 2 1 381.568 3.809 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000652229027 842086787 /nfs/dbraw/zinc/08/67/87/842086787.db2.gz ZDIVOKCWOXXXMG-CBQGHPETSA-N 2 1 386.584 3.603 20 0 GHADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000430649614 842104490 /nfs/dbraw/zinc/10/44/90/842104490.db2.gz JGFGNDZRFLLZPD-IBGZPJMESA-N 2 1 390.531 3.979 20 0 GHADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C1 ZINC000430649614 842104495 /nfs/dbraw/zinc/10/44/95/842104495.db2.gz JGFGNDZRFLLZPD-IBGZPJMESA-N 2 1 390.531 3.979 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 ZINC001167828583 842114517 /nfs/dbraw/zinc/11/45/17/842114517.db2.gz ZYAFNYKHGPTEAT-MZYLBHOOSA-N 2 1 389.584 3.651 20 0 GHADMP CCCNC(=O)c1ccc(O[C@H]2CC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2)cc1 ZINC001167834359 842236216 /nfs/dbraw/zinc/23/62/16/842236216.db2.gz IWWWXNFYLOJUMH-KNQAVFIVSA-N 2 1 389.584 3.790 20 0 GHADMP Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000652335229 842270074 /nfs/dbraw/zinc/27/00/74/842270074.db2.gz YYSASXKHKPMFGQ-KEZQHZCBSA-N 2 1 377.532 3.548 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001167836205 842329899 /nfs/dbraw/zinc/32/98/99/842329899.db2.gz XINKIEZEACHLGT-HZPDHXFCSA-N 2 1 388.478 3.849 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001167836402 842330800 /nfs/dbraw/zinc/33/08/00/842330800.db2.gz ZKGNTCCVLDQQNG-ZWKOTPCHSA-N 2 1 375.532 3.756 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OCc1c(C)noc1C ZINC000623654702 861298464 /nfs/dbraw/zinc/29/84/64/861298464.db2.gz GWMONMYJQKTFOF-LJQANCHMSA-N 2 1 387.524 3.701 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000623655191 861299131 /nfs/dbraw/zinc/29/91/31/861299131.db2.gz QPSZYTWEKXIYFY-LJQANCHMSA-N 2 1 375.520 3.756 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@@H]1CC[NH3+] ZINC000652355945 842354853 /nfs/dbraw/zinc/35/48/53/842354853.db2.gz NTHUWQPSQTXODY-KBXCAEBGSA-N 2 1 389.341 3.855 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000623657848 861304898 /nfs/dbraw/zinc/30/48/98/861304898.db2.gz AQTOKJHPGPJPLJ-JOCHJYFZSA-N 2 1 397.567 3.524 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000652360946 842369052 /nfs/dbraw/zinc/36/90/52/842369052.db2.gz UOKJQXHHNVPZQT-WTIAFYNJSA-N 2 1 399.579 3.713 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000623657848 861304916 /nfs/dbraw/zinc/30/49/16/861304916.db2.gz AQTOKJHPGPJPLJ-JOCHJYFZSA-N 2 1 397.567 3.524 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001167841392 842412851 /nfs/dbraw/zinc/41/28/51/842412851.db2.gz MBDYXVHYBYGFSQ-JKSUJKDBSA-N 2 1 377.520 3.731 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c(Br)cccc32)CCCO1 ZINC000432413109 842414346 /nfs/dbraw/zinc/41/43/46/842414346.db2.gz KGBURROUGMXPJM-KXBFYZLASA-N 2 1 381.358 3.917 20 0 GHADMP COCOc1ccc(OC)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278990680 842436400 /nfs/dbraw/zinc/43/64/00/842436400.db2.gz AQSAQYLSNLQMNG-UHFFFAOYSA-N 2 1 385.508 3.590 20 0 GHADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1)C[C@@H]1CCCC[C@@H]1O ZINC000481412833 861310396 /nfs/dbraw/zinc/31/03/96/861310396.db2.gz UABYQQNLDRNSIV-ZJZGAYNASA-N 2 1 388.596 3.652 20 0 GHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423196 842452133 /nfs/dbraw/zinc/45/21/33/842452133.db2.gz WXJAOHADNHDIKB-RBUKOAKNSA-N 2 1 390.572 3.712 20 0 GHADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432423196 842452134 /nfs/dbraw/zinc/45/21/34/842452134.db2.gz WXJAOHADNHDIKB-RBUKOAKNSA-N 2 1 390.572 3.712 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2Cl)cc1 ZINC000178170611 861328264 /nfs/dbraw/zinc/32/82/64/861328264.db2.gz SNCFBSRBYWVRNZ-OAHLLOKOSA-N 2 1 382.895 3.915 20 0 GHADMP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000581911753 842643616 /nfs/dbraw/zinc/64/36/16/842643616.db2.gz JCHYWJCCVUMORE-IAGOWNOFSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000581911753 842643622 /nfs/dbraw/zinc/64/36/22/842643622.db2.gz JCHYWJCCVUMORE-IAGOWNOFSA-N 2 1 386.458 3.943 20 0 GHADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1OCC(F)(F)F ZINC000581911753 842643628 /nfs/dbraw/zinc/64/36/28/842643628.db2.gz JCHYWJCCVUMORE-IAGOWNOFSA-N 2 1 386.458 3.943 20 0 GHADMP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000248608343 842696756 /nfs/dbraw/zinc/69/67/56/842696756.db2.gz WZZQRCCPWHSXPG-HBFSDRIKSA-N 2 1 389.559 3.978 20 0 GHADMP CCN(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000248608343 842696761 /nfs/dbraw/zinc/69/67/61/842696761.db2.gz WZZQRCCPWHSXPG-HBFSDRIKSA-N 2 1 389.559 3.978 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512174973 842750129 /nfs/dbraw/zinc/75/01/29/842750129.db2.gz IZGFHBBAHGKGCC-YADHBBJMSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(C[N@H+]1CCC[C@@]2(CC=CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000512175256 842756340 /nfs/dbraw/zinc/75/63/40/842756340.db2.gz NPXVHKNGLBGTTO-DEOSSOPVSA-N 2 1 381.564 3.721 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000178334361 861353482 /nfs/dbraw/zinc/35/34/82/861353482.db2.gz GYDWKOQUGKUCLQ-DEOSSOPVSA-N 2 1 398.547 3.688 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000471864703 843025806 /nfs/dbraw/zinc/02/58/06/843025806.db2.gz IRSXFDNZDBTKOO-UYAOXDASSA-N 2 1 393.560 3.772 20 0 GHADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1csc(-c2ncccn2)n1 ZINC000471864703 843025813 /nfs/dbraw/zinc/02/58/13/843025813.db2.gz IRSXFDNZDBTKOO-UYAOXDASSA-N 2 1 393.560 3.772 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294103 843085737 /nfs/dbraw/zinc/08/57/37/843085737.db2.gz AWNVXCUWRRYYSD-TXPKVOOTSA-N 2 1 377.960 3.617 20 0 GHADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295179 843086731 /nfs/dbraw/zinc/08/67/31/843086731.db2.gz FTTIURXALJASOL-GDBMZVCRSA-N 2 1 383.458 3.744 20 0 GHADMP FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295670 843087415 /nfs/dbraw/zinc/08/74/15/843087415.db2.gz HOFFRRLUXKEPOW-MRXNPFEDSA-N 2 1 394.441 3.967 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000662294683 843087518 /nfs/dbraw/zinc/08/75/18/843087518.db2.gz DRZSNDZNOXQJBS-NFBKMPQASA-N 2 1 397.588 3.665 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000510650384 843125213 /nfs/dbraw/zinc/12/52/13/843125213.db2.gz ZXZXOLKNPJYARS-UXHICEINSA-N 2 1 386.584 3.957 20 0 GHADMP Clc1cccc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1Cl ZINC000662338600 843149393 /nfs/dbraw/zinc/14/93/93/843149393.db2.gz TXDUPSHJNASVFW-CQSZACIVSA-N 2 1 394.350 3.506 20 0 GHADMP CCOc1ccc(OCC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000662327770 843156303 /nfs/dbraw/zinc/15/63/03/843156303.db2.gz MEQQXNSVZLARNZ-UHFFFAOYSA-N 2 1 398.551 3.534 20 0 GHADMP c1csc(-c2cc(C[NH+]3CCC(c4cc(C5CC[NH2+]CC5)[nH]n4)CC3)no2)c1 ZINC000662328543 843157115 /nfs/dbraw/zinc/15/71/15/843157115.db2.gz SHEDTUDVFNHUGU-UHFFFAOYSA-N 2 1 397.548 3.973 20 0 GHADMP COc1cc(Cl)ccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327304 843157563 /nfs/dbraw/zinc/15/75/63/843157563.db2.gz MRCSLULIBLQQCH-UHFFFAOYSA-N 2 1 388.943 3.918 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662439919 843250691 /nfs/dbraw/zinc/25/06/91/843250691.db2.gz HSYBOGUVLNBMRT-QHCPKHFHSA-N 2 1 377.532 3.592 20 0 GHADMP C[N@H+](C[C@@H](O)C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1)C1CC1 ZINC001167889601 843272563 /nfs/dbraw/zinc/27/25/63/843272563.db2.gz PQMRXUMSLWIALF-IBGZPJMESA-N 2 1 395.385 3.739 20 0 GHADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1)C1CC1 ZINC001167889601 843272569 /nfs/dbraw/zinc/27/25/69/843272569.db2.gz PQMRXUMSLWIALF-IBGZPJMESA-N 2 1 395.385 3.739 20 0 GHADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000430964769 843275075 /nfs/dbraw/zinc/27/50/75/843275075.db2.gz GDTJFZVGBLBNQU-NSHDSACASA-N 2 1 377.838 3.617 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000187005653 843278323 /nfs/dbraw/zinc/27/83/23/843278323.db2.gz XZKPFACOCDOPLN-GOSISDBHSA-N 2 1 382.499 3.678 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccc(C)o2)C2CC2)CC1 ZINC000512281918 843307002 /nfs/dbraw/zinc/30/70/02/843307002.db2.gz KRPGOVYNSMJRFP-UHFFFAOYSA-N 2 1 375.557 3.523 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Nc1ccccc1 ZINC000663368862 843337825 /nfs/dbraw/zinc/33/78/25/843337825.db2.gz PXMKDJFQWWFWRC-OAQYLSRUSA-N 2 1 377.532 3.907 20 0 GHADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503683 843348998 /nfs/dbraw/zinc/34/89/98/843348998.db2.gz VPSCETPHEYKMIR-AZUAARDMSA-N 2 1 395.572 3.521 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432674652 843415807 /nfs/dbraw/zinc/41/58/07/843415807.db2.gz CRDUMUOUNYVWIW-OAQYLSRUSA-N 2 1 397.588 3.741 20 0 GHADMP CCN(Cc1ccccc1)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432674652 843415812 /nfs/dbraw/zinc/41/58/12/843415812.db2.gz CRDUMUOUNYVWIW-OAQYLSRUSA-N 2 1 397.588 3.741 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000431017570 843435390 /nfs/dbraw/zinc/43/53/90/843435390.db2.gz RFTYTONZGFAPAD-FGSXEWAUSA-N 2 1 381.520 3.682 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662684769 843518139 /nfs/dbraw/zinc/51/81/39/843518139.db2.gz IRSPVZUDTSMZRJ-GOSISDBHSA-N 2 1 380.414 3.535 20 0 GHADMP [NH3+]CCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000418675710 843526252 /nfs/dbraw/zinc/52/62/52/843526252.db2.gz PUWBXINTIGIBIT-QFIPXVFZSA-N 2 1 398.526 3.523 20 0 GHADMP [NH3+]CCC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000418675710 843526267 /nfs/dbraw/zinc/52/62/67/843526267.db2.gz PUWBXINTIGIBIT-QFIPXVFZSA-N 2 1 398.526 3.523 20 0 GHADMP CCN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418681271 843529285 /nfs/dbraw/zinc/52/92/85/843529285.db2.gz VKDMJOCJAPZRMR-DHIUTWEWSA-N 2 1 394.563 3.773 20 0 GHADMP CCN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418681272 843529576 /nfs/dbraw/zinc/52/95/76/843529576.db2.gz VKDMJOCJAPZRMR-GOTSBHOMSA-N 2 1 394.563 3.773 20 0 GHADMP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000512392151 843624441 /nfs/dbraw/zinc/62/44/41/843624441.db2.gz SIDCPDDBOIXGKN-GOTSBHOMSA-N 2 1 380.532 3.830 20 0 GHADMP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236665292 843867472 /nfs/dbraw/zinc/86/74/72/843867472.db2.gz BQPRYEYPAILDGG-UHFFFAOYSA-N 2 1 398.473 3.800 20 0 GHADMP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000236665292 843867484 /nfs/dbraw/zinc/86/74/84/843867484.db2.gz BQPRYEYPAILDGG-UHFFFAOYSA-N 2 1 398.473 3.800 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[C@H]1c1ccccc1 ZINC000536233641 843914677 /nfs/dbraw/zinc/91/46/77/843914677.db2.gz QLIDVWAGQDCTEA-ACIOBRDBSA-N 2 1 398.595 3.729 20 0 GHADMP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)(C)C ZINC000522479842 861487129 /nfs/dbraw/zinc/48/71/29/861487129.db2.gz QMPLSMIQOMROMM-AZUAARDMSA-N 2 1 377.548 3.520 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000468984689 844751180 /nfs/dbraw/zinc/75/11/80/844751180.db2.gz LYQIGGKPTOUAQX-MDZRGWNJSA-N 2 1 391.357 3.534 20 0 GHADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000468984689 844751189 /nfs/dbraw/zinc/75/11/89/844751189.db2.gz LYQIGGKPTOUAQX-MDZRGWNJSA-N 2 1 391.357 3.534 20 0 GHADMP c1c(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCCC2 ZINC000512662620 844916138 /nfs/dbraw/zinc/91/61/38/844916138.db2.gz ZBJQOTPZLGOWEW-WWNPGLIZSA-N 2 1 378.564 3.652 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000509776843 845133472 /nfs/dbraw/zinc/13/34/72/845133472.db2.gz MTYQJFBNLZZCJZ-UAYLSCSNSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@@H+]1Cc1ccccc1 ZINC000509776843 845133477 /nfs/dbraw/zinc/13/34/77/845133477.db2.gz MTYQJFBNLZZCJZ-UAYLSCSNSA-N 2 1 398.595 3.602 20 0 GHADMP C[C@H]1C[C@@H](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000509776843 845133483 /nfs/dbraw/zinc/13/34/83/845133483.db2.gz MTYQJFBNLZZCJZ-UAYLSCSNSA-N 2 1 398.595 3.602 20 0 GHADMP Cc1ccccc1-n1nccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000474938684 861535517 /nfs/dbraw/zinc/53/55/17/861535517.db2.gz OVIASFMKEKNXMR-UHFFFAOYSA-N 2 1 375.520 3.924 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000894112432 845192872 /nfs/dbraw/zinc/19/28/72/845192872.db2.gz DFDGIJAKJKDKTK-MAEOIBBWSA-N 2 1 388.556 3.702 20 0 GHADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H](Cc3ccccn3)c3cccnc3)C2)cc1 ZINC000513344265 845273701 /nfs/dbraw/zinc/27/37/01/845273701.db2.gz YXZYKVJLTYYCNH-WIOPSUGQSA-N 2 1 386.543 3.915 20 0 GHADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H](Cc3ccccn3)c3cccnc3)C2)cc1 ZINC000513344265 845273706 /nfs/dbraw/zinc/27/37/06/845273706.db2.gz YXZYKVJLTYYCNH-WIOPSUGQSA-N 2 1 386.543 3.915 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OCc4ccccc4F)c3)C2)CC1 ZINC000093133285 845496534 /nfs/dbraw/zinc/49/65/34/845496534.db2.gz NDZZONHHJYOZJL-QFIPXVFZSA-N 2 1 397.538 3.617 20 0 GHADMP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1Cl ZINC000179509300 861608734 /nfs/dbraw/zinc/60/87/34/861608734.db2.gz ODOTWBZKVCLOMH-AWEZNQCLSA-N 2 1 393.915 3.543 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000657308920 845960292 /nfs/dbraw/zinc/96/02/92/845960292.db2.gz YKVLLHDWLIKZIN-UHFFFAOYSA-N 2 1 394.357 3.703 20 0 GHADMP C[NH+](CCc1nccs1)Cc1ccc(C[N@@H+](C)CCc2nccs2)cc1 ZINC000157462999 845976765 /nfs/dbraw/zinc/97/67/65/845976765.db2.gz QUSBIYPHWUFCAP-UHFFFAOYSA-N 2 1 386.590 3.949 20 0 GHADMP CCc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000582057992 846185185 /nfs/dbraw/zinc/18/51/85/846185185.db2.gz LUSDMGQOKCJPND-CVDCTZTESA-N 2 1 382.548 3.804 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4ccccc4c(OC)c3)CC2)CC1 ZINC000421379974 846192230 /nfs/dbraw/zinc/19/22/30/846192230.db2.gz UYRVZWZARPEKKV-UHFFFAOYSA-N 2 1 381.564 3.840 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000664217437 846235218 /nfs/dbraw/zinc/23/52/18/846235218.db2.gz KGWGOBXCMDOPBE-FXAWDEMLSA-N 2 1 394.991 3.676 20 0 GHADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1c1ccccc1I ZINC000502866751 846573044 /nfs/dbraw/zinc/57/30/44/846573044.db2.gz GGPTXBWIYPMNJO-YOEHRIQHSA-N 2 1 384.305 3.912 20 0 GHADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502884686 846597028 /nfs/dbraw/zinc/59/70/28/846597028.db2.gz IYUSSOJPIWHCDP-ZYSHUDEJSA-N 2 1 383.939 3.755 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075648 846616533 /nfs/dbraw/zinc/61/65/33/846616533.db2.gz KNUKTZBPCPPFBS-HNNXBMFYSA-N 2 1 388.462 3.535 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000502948596 846645284 /nfs/dbraw/zinc/64/52/84/846645284.db2.gz CKXMTPJKBLZQTI-UXHICEINSA-N 2 1 388.600 3.927 20 0 GHADMP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000502966207 846671043 /nfs/dbraw/zinc/67/10/43/846671043.db2.gz GRWVCVQQNGUAST-UXHICEINSA-N 2 1 396.579 3.936 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)CC1 ZINC000422130896 846862824 /nfs/dbraw/zinc/86/28/24/846862824.db2.gz BLFBYGQEACUBFQ-HSZRJFAPSA-N 2 1 398.595 3.648 20 0 GHADMP NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000513714123 846903652 /nfs/dbraw/zinc/90/36/52/846903652.db2.gz YQURIZVWTYIGRE-RJGXRXQPSA-N 2 1 377.532 3.566 20 0 GHADMP C[C@H]1CC([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168044602 861742019 /nfs/dbraw/zinc/74/20/19/861742019.db2.gz GAWSTQVOEVDRBV-ZBWQPJPKSA-N 2 1 399.579 3.883 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562527 847111288 /nfs/dbraw/zinc/11/12/88/847111288.db2.gz GYYJJWOTWNNJKM-HYBUGGRVSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H]1CC([NH+]2CC(CNC(=O)OC(C)(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168044706 861755107 /nfs/dbraw/zinc/75/51/07/861755107.db2.gz GRGOHDGKIJQDCX-QZTJIDSGSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272608863 847124348 /nfs/dbraw/zinc/12/43/48/847124348.db2.gz VTWQIXQQIGZXIL-FXAWDEMLSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272608863 847124354 /nfs/dbraw/zinc/12/43/54/847124354.db2.gz VTWQIXQQIGZXIL-FXAWDEMLSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501831122 847226768 /nfs/dbraw/zinc/22/67/68/847226768.db2.gz XKUIGQHGZVATGB-UNMCSNQZSA-N 2 1 386.584 3.777 20 0 GHADMP COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000273184561 847267616 /nfs/dbraw/zinc/26/76/16/847267616.db2.gz OUJXPUJSYUVTQD-LJQANCHMSA-N 2 1 395.547 3.550 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001167575606 847281288 /nfs/dbraw/zinc/28/12/88/847281288.db2.gz DZXQJTLDXAQFGH-BWKNWUBXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001167575606 847281296 /nfs/dbraw/zinc/28/12/96/847281296.db2.gz DZXQJTLDXAQFGH-BWKNWUBXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001167575606 847281303 /nfs/dbraw/zinc/28/13/03/847281303.db2.gz DZXQJTLDXAQFGH-BWKNWUBXSA-N 2 1 391.559 3.722 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@H]3c3ccccc3)CC2)cc1 ZINC001167575606 847281309 /nfs/dbraw/zinc/28/13/09/847281309.db2.gz DZXQJTLDXAQFGH-BWKNWUBXSA-N 2 1 391.559 3.722 20 0 GHADMP CCN1CCC([N@H+]2CCCN(c3ncnc4sc5ccccc5c43)CC2)CC1 ZINC000420621524 847347196 /nfs/dbraw/zinc/34/71/96/847347196.db2.gz DDTXEXHLPXFZKE-UHFFFAOYSA-N 2 1 395.576 3.841 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ncnc4sc5ccccc5c43)CC2)CC1 ZINC000420621524 847347206 /nfs/dbraw/zinc/34/72/06/847347206.db2.gz DDTXEXHLPXFZKE-UHFFFAOYSA-N 2 1 395.576 3.841 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000503199311 847461035 /nfs/dbraw/zinc/46/10/35/847461035.db2.gz PHRQCKUEWPTFSI-AOIWGVFYSA-N 2 1 395.551 3.646 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000503199311 847461041 /nfs/dbraw/zinc/46/10/41/847461041.db2.gz PHRQCKUEWPTFSI-AOIWGVFYSA-N 2 1 395.551 3.646 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000481584400 861800659 /nfs/dbraw/zinc/80/06/59/861800659.db2.gz SQPZKYXJBNEMDV-FGSXEWAUSA-N 2 1 379.504 3.514 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000481584400 861800678 /nfs/dbraw/zinc/80/06/78/861800678.db2.gz SQPZKYXJBNEMDV-FGSXEWAUSA-N 2 1 379.504 3.514 20 0 GHADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1cccc(F)c1 ZINC000582542372 847533222 /nfs/dbraw/zinc/53/32/22/847533222.db2.gz UOCDLGPAVUZOOZ-FRIKZZABSA-N 2 1 381.495 3.940 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC000420980489 847587728 /nfs/dbraw/zinc/58/77/28/847587728.db2.gz LTENUZWXRLYBIS-UHFFFAOYSA-N 3 1 398.639 3.665 20 0 GHADMP CCN1CCC([N@@H+]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC000420980489 847587735 /nfs/dbraw/zinc/58/77/35/847587735.db2.gz LTENUZWXRLYBIS-UHFFFAOYSA-N 2 1 398.639 3.665 20 0 GHADMP CCN1CCC([N@H+]2CCCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC000420980489 847587745 /nfs/dbraw/zinc/58/77/45/847587745.db2.gz LTENUZWXRLYBIS-UHFFFAOYSA-N 2 1 398.639 3.665 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000657470955 847638493 /nfs/dbraw/zinc/63/84/93/847638493.db2.gz XDFYBSUTLBZBPN-QGZVFWFLSA-N 2 1 380.458 3.831 20 0 GHADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000657470955 847638501 /nfs/dbraw/zinc/63/85/01/847638501.db2.gz XDFYBSUTLBZBPN-QGZVFWFLSA-N 2 1 380.458 3.831 20 0 GHADMP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000503468622 847723348 /nfs/dbraw/zinc/72/33/48/847723348.db2.gz IOTRFVGPBYWQEE-NJYVYQBISA-N 2 1 378.605 3.547 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503474350 847727182 /nfs/dbraw/zinc/72/71/82/847727182.db2.gz PSLJGSSUOUPAAB-DHIUTWEWSA-N 2 1 398.595 3.559 20 0 GHADMP c1ccc([C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[NH+]2CCCC2)cc1 ZINC000422735206 847789505 /nfs/dbraw/zinc/78/95/05/847789505.db2.gz VTITXGDYIOFBFL-WPFOTENUSA-N 2 1 377.532 3.669 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)cs1 ZINC000422916069 847886059 /nfs/dbraw/zinc/88/60/59/847886059.db2.gz ZSMYDZJWXQRYFR-HKUYNNGSSA-N 3 1 378.630 3.818 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CCCC1)c1ccccc1 ZINC000503726811 847924819 /nfs/dbraw/zinc/92/48/19/847924819.db2.gz MFZHRQSCJZQRBR-GHTZIAJQSA-N 2 1 384.568 3.528 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423044961 847954120 /nfs/dbraw/zinc/95/41/20/847954120.db2.gz RNDAATKCZCXYGB-VRVWEWRLSA-N 3 1 391.559 3.743 20 0 GHADMP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423044961 847954125 /nfs/dbraw/zinc/95/41/25/847954125.db2.gz RNDAATKCZCXYGB-VRVWEWRLSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423044961 847954131 /nfs/dbraw/zinc/95/41/31/847954131.db2.gz RNDAATKCZCXYGB-VRVWEWRLSA-N 2 1 391.559 3.743 20 0 GHADMP COc1ccc([C@H]([NH2+]CC2CCN(c3ccccc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423080377 847968767 /nfs/dbraw/zinc/96/87/67/847968767.db2.gz AFBFPGWISWGHLH-RPWUZVMVSA-N 2 1 379.548 3.995 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC001167598842 848018235 /nfs/dbraw/zinc/01/82/35/848018235.db2.gz LRMAMOUZSYTULF-DVJXIFHOSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](c2ccccc2)[C@H]1C ZINC001167598842 848018243 /nfs/dbraw/zinc/01/82/43/848018243.db2.gz LRMAMOUZSYTULF-DVJXIFHOSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@H](c2ccccc2)[C@H]1C ZINC001167598842 848018250 /nfs/dbraw/zinc/01/82/50/848018250.db2.gz LRMAMOUZSYTULF-DVJXIFHOSA-N 2 1 391.559 3.644 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(OC4CCCC4)c3)cc2)C1 ZINC000657593636 848282987 /nfs/dbraw/zinc/28/29/87/848282987.db2.gz AWGODPMFIOQQTD-QFIPXVFZSA-N 2 1 380.532 3.864 20 0 GHADMP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595320 848286756 /nfs/dbraw/zinc/28/67/56/848286756.db2.gz OSPFKIRCSKXIRS-SFHVURJKSA-N 2 1 395.330 3.858 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3C(F)(F)F)cc2)C1 ZINC000657596992 848298131 /nfs/dbraw/zinc/29/81/31/848298131.db2.gz QBVJPPFJKCTOBJ-GOSISDBHSA-N 2 1 382.401 3.701 20 0 GHADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000657678508 848586381 /nfs/dbraw/zinc/58/63/81/848586381.db2.gz RWBNUJODZQKJOL-SFHVURJKSA-N 2 1 389.971 3.941 20 0 GHADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000657678508 848586385 /nfs/dbraw/zinc/58/63/85/848586385.db2.gz RWBNUJODZQKJOL-SFHVURJKSA-N 2 1 389.971 3.941 20 0 GHADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000657688772 848634622 /nfs/dbraw/zinc/63/46/22/848634622.db2.gz JSKIQEXNJXXZSD-REWPJTCUSA-N 2 1 384.543 3.567 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000582997987 848857697 /nfs/dbraw/zinc/85/76/97/848857697.db2.gz MSMCDOBZRIARSU-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000582997987 848857700 /nfs/dbraw/zinc/85/77/00/848857700.db2.gz MSMCDOBZRIARSU-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000582997987 848857705 /nfs/dbraw/zinc/85/77/05/848857705.db2.gz MSMCDOBZRIARSU-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000535942837 849180698 /nfs/dbraw/zinc/18/06/98/849180698.db2.gz JSTJMQBYPGAUES-IBGZPJMESA-N 2 1 382.401 3.571 20 0 GHADMP O[C@]1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000535942837 849180702 /nfs/dbraw/zinc/18/07/02/849180702.db2.gz JSTJMQBYPGAUES-IBGZPJMESA-N 2 1 382.401 3.571 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H]1c1cccs1 ZINC000673863795 861994997 /nfs/dbraw/zinc/99/49/97/861994997.db2.gz KWQOAXAZQUHYKS-KXBFYZLASA-N 2 1 396.520 3.533 20 0 GHADMP COC(=O)c1cccc(OCC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC001167659676 849323753 /nfs/dbraw/zinc/32/37/53/849323753.db2.gz TYCGUCPTGZFKNW-IBGZPJMESA-N 2 1 388.552 3.829 20 0 GHADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000458442205 849397284 /nfs/dbraw/zinc/39/72/84/849397284.db2.gz WGUHZJAHDDNDHU-WMZOPIPTSA-N 2 1 380.602 3.551 20 0 GHADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423097495 849742090 /nfs/dbraw/zinc/74/20/90/849742090.db2.gz BBGILIGKCHKDBT-REWPJTCUSA-N 2 1 381.495 3.771 20 0 GHADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423109867 849757889 /nfs/dbraw/zinc/75/78/89/849757889.db2.gz TVMPIHVETKVDCH-CZUORRHYSA-N 2 1 392.487 3.509 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(I)c(Cl)c1 ZINC000503912912 849772869 /nfs/dbraw/zinc/77/28/69/849772869.db2.gz TXPFQJQXALOYIV-UEKVPHQBSA-N 2 1 392.712 3.763 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000503912912 849772885 /nfs/dbraw/zinc/77/28/85/849772885.db2.gz TXPFQJQXALOYIV-UEKVPHQBSA-N 2 1 392.712 3.763 20 0 GHADMP Brc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423180601 849788718 /nfs/dbraw/zinc/78/87/18/849788718.db2.gz BGXKYSRWBRBFEL-GOSISDBHSA-N 2 1 390.325 3.827 20 0 GHADMP CCc1ccc([C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC[NH2+]2)cc1 ZINC000505571748 849915579 /nfs/dbraw/zinc/91/55/79/849915579.db2.gz CSMQBWXLBSIKME-QHCPKHFHSA-N 2 1 377.532 3.632 20 0 GHADMP CCOc1ccc([C@H](CC)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1OCC ZINC000423511010 849961374 /nfs/dbraw/zinc/96/13/74/849961374.db2.gz NAYBIMNKXIQWRM-CBNMVNINSA-N 2 1 389.584 3.741 20 0 GHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)c2)CC1 ZINC000504200231 849969035 /nfs/dbraw/zinc/96/90/35/849969035.db2.gz ZFFCQWOLAKDRFA-FQEVSTJZSA-N 2 1 398.595 3.810 20 0 GHADMP NC1(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423553419 849979988 /nfs/dbraw/zinc/97/99/88/849979988.db2.gz GVQRGWFKIDIUJK-OAQYLSRUSA-N 2 1 381.568 3.614 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000711486983 850093054 /nfs/dbraw/zinc/09/30/54/850093054.db2.gz ZJNDXJXUSIDRPH-WLRLJWMZSA-N 2 1 387.568 3.932 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000711486983 850093058 /nfs/dbraw/zinc/09/30/58/850093058.db2.gz ZJNDXJXUSIDRPH-WLRLJWMZSA-N 2 1 387.568 3.932 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC001128559589 862095009 /nfs/dbraw/zinc/09/50/09/862095009.db2.gz JDKOUYUTBLALFT-TZRRMPRUSA-N 2 1 391.559 3.660 20 0 GHADMP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486967357 850283902 /nfs/dbraw/zinc/28/39/02/850283902.db2.gz CYCBBRBRZARTEQ-JBACZVJFSA-N 2 1 388.600 3.563 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424293663 850337479 /nfs/dbraw/zinc/33/74/79/850337479.db2.gz PKJYLIMAPDLJKH-KNQAVFIVSA-N 2 1 399.579 3.603 20 0 GHADMP C[C@H]1CC2(C[N@H+]1Cc1cn(-c3ccccc3)nc1-c1cccnc1)CC[NH2+]CC2 ZINC000424370010 850409840 /nfs/dbraw/zinc/40/98/40/850409840.db2.gz BYDSAFKTXYNIFE-IBGZPJMESA-N 2 1 387.531 3.898 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2c(Br)cnn2C)C[N@H+]1Cc1ccccc1 ZINC000487552315 850719808 /nfs/dbraw/zinc/71/98/08/850719808.db2.gz PUZRRCSFPUTORY-RDJZCZTQSA-N 2 1 391.357 3.573 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000519222797 850776497 /nfs/dbraw/zinc/77/64/97/850776497.db2.gz BXRXIEPWPPMLEM-OAHLLOKOSA-N 2 1 383.483 3.669 20 0 GHADMP C[C@H](NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435697807 850778917 /nfs/dbraw/zinc/77/89/17/850778917.db2.gz ZHFPTRRSNCCUEZ-PXNSSMCTSA-N 2 1 383.561 3.570 20 0 GHADMP C[C@H](NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435697807 850778922 /nfs/dbraw/zinc/77/89/22/850778922.db2.gz ZHFPTRRSNCCUEZ-PXNSSMCTSA-N 2 1 383.561 3.570 20 0 GHADMP CC(C)[N@H+]1CCc2nc(CNC[C@H]3CCC[NH+]3C3CCCCC3)sc2C1 ZINC000435748513 850813730 /nfs/dbraw/zinc/81/37/30/850813730.db2.gz ORKNIOKLOVIQFV-GOSISDBHSA-N 2 1 376.614 3.796 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@H]3CCC[N@@H+]3C3CCCCC3)sc2C1 ZINC000435748513 850813740 /nfs/dbraw/zinc/81/37/40/850813740.db2.gz ORKNIOKLOVIQFV-GOSISDBHSA-N 2 1 376.614 3.796 20 0 GHADMP CC(C)[NH+]1CCc2nc(CNC[C@H]3CCC[N@H+]3C3CCCCC3)sc2C1 ZINC000435748513 850813755 /nfs/dbraw/zinc/81/37/55/850813755.db2.gz ORKNIOKLOVIQFV-GOSISDBHSA-N 2 1 376.614 3.796 20 0 GHADMP CN(c1ccccc1C[NH+]1CCN(c2ccccc2F)CC1)C1CC[NH+](C)CC1 ZINC000505332276 850850082 /nfs/dbraw/zinc/85/00/82/850850082.db2.gz VNMXCXJYVGJRNS-UHFFFAOYSA-N 2 1 396.554 3.678 20 0 GHADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000487782208 850886574 /nfs/dbraw/zinc/88/65/74/850886574.db2.gz LIGRDNNNQIOEHI-WMZHIEFXSA-N 2 1 398.595 3.603 20 0 GHADMP COC(=O)[C@H](CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000425414027 850980537 /nfs/dbraw/zinc/98/05/37/850980537.db2.gz CKFSUHRGJBZKEF-JOCHJYFZSA-N 2 1 381.520 3.577 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[NH+](C)Cc3ccccc3)cc2)C1 ZINC000514085172 851222930 /nfs/dbraw/zinc/22/29/30/851222930.db2.gz VSJWNHJYTYCSDC-HXUWFJFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)Cc3ccccc3)cc2)C1 ZINC000514085172 851222938 /nfs/dbraw/zinc/22/29/38/851222938.db2.gz VSJWNHJYTYCSDC-HXUWFJFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)C1 ZINC000514085172 851222949 /nfs/dbraw/zinc/22/29/49/851222949.db2.gz VSJWNHJYTYCSDC-HXUWFJFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)C1 ZINC000514085172 851222961 /nfs/dbraw/zinc/22/29/61/851222961.db2.gz VSJWNHJYTYCSDC-HXUWFJFHSA-N 2 1 379.548 3.667 20 0 GHADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCSc2cccc(Cl)c2)CC1 ZINC000519534116 851338553 /nfs/dbraw/zinc/33/85/53/851338553.db2.gz ZCTUYRPRYUTQFT-UHFFFAOYSA-N 2 1 390.940 3.608 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)cc3Br)CC2)C1 ZINC000415117784 851353030 /nfs/dbraw/zinc/35/30/30/851353030.db2.gz CIMUOGVCPSWMPH-NVXWUHKLSA-N 2 1 387.749 3.821 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000048395046 851355637 /nfs/dbraw/zinc/35/56/37/851355637.db2.gz VZEIYCGWIBINIW-KDURUIRLSA-N 2 1 398.595 3.591 20 0 GHADMP CCCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000514198116 851364921 /nfs/dbraw/zinc/36/49/21/851364921.db2.gz ZADLAIQYRHNNLN-QFIPXVFZSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436282326 851404061 /nfs/dbraw/zinc/40/40/61/851404061.db2.gz ITHIIVHRWDRBBR-VIQWUECVSA-N 2 1 397.563 3.694 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000436282326 851404064 /nfs/dbraw/zinc/40/40/64/851404064.db2.gz ITHIIVHRWDRBBR-VIQWUECVSA-N 2 1 397.563 3.694 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167970563 851473033 /nfs/dbraw/zinc/47/30/33/851473033.db2.gz MYRDOOSQRUXYBR-UMQXSMKFSA-N 2 1 377.573 3.629 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N2CCSc3ccccc32)CC1 ZINC000488415894 851475597 /nfs/dbraw/zinc/47/55/97/851475597.db2.gz ABKDTQSQCQZSBD-KRWDZBQOSA-N 2 1 375.582 3.568 20 0 GHADMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688363 851479592 /nfs/dbraw/zinc/47/95/92/851479592.db2.gz LIJJFUGCUQLQAF-KRWDZBQOSA-N 2 1 398.526 3.585 20 0 GHADMP CCOC(=O)CCC[N@@H+]1CCC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280157772 851507476 /nfs/dbraw/zinc/50/74/76/851507476.db2.gz HVXMDABSQXNJDN-SFHVURJKSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCC[N@H+]1CCC[C@]2(CCC[NH+](CCCC(F)(F)F)C2)C1 ZINC001280157772 851507480 /nfs/dbraw/zinc/50/74/80/851507480.db2.gz HVXMDABSQXNJDN-SFHVURJKSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCC[NH+]1CCC[C@]2(CCC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001280157772 851507484 /nfs/dbraw/zinc/50/74/84/851507484.db2.gz HVXMDABSQXNJDN-SFHVURJKSA-N 2 1 378.479 3.850 20 0 GHADMP CCOC(=O)CCC[NH+]1CCC[C@]2(CCC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001280157772 851507491 /nfs/dbraw/zinc/50/74/91/851507491.db2.gz HVXMDABSQXNJDN-SFHVURJKSA-N 2 1 378.479 3.850 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515845924 851557535 /nfs/dbraw/zinc/55/75/35/851557535.db2.gz XYMAAHQLAIKXRS-OLZOCXBDSA-N 2 1 389.284 3.872 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000515877296 851595506 /nfs/dbraw/zinc/59/55/06/851595506.db2.gz DWUGFBRRUJQHBI-FGZHOGPDSA-N 2 1 383.580 3.586 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001167973001 851635685 /nfs/dbraw/zinc/63/56/85/851635685.db2.gz OYEZNGQPDAPGLS-DNQXCXABSA-N 2 1 397.607 3.773 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(C)(C)C ZINC001167974327 851664936 /nfs/dbraw/zinc/66/49/36/851664936.db2.gz WGYXUJBHBPKKGS-IPQPSQTFSA-N 2 1 379.589 3.921 20 0 GHADMP CCC(CC)(CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000489070489 851967416 /nfs/dbraw/zinc/96/74/16/851967416.db2.gz AGDIOEFKUCEVRS-UGKGYDQZSA-N 2 1 386.584 3.633 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550214642 851971559 /nfs/dbraw/zinc/97/15/59/851971559.db2.gz WCZJMDANRXBXMQ-HXUWFJFHSA-N 2 1 399.966 3.788 20 0 GHADMP Clc1cccc(N2CCOCC2)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550214642 851971565 /nfs/dbraw/zinc/97/15/65/851971565.db2.gz WCZJMDANRXBXMQ-HXUWFJFHSA-N 2 1 399.966 3.788 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000489060209 851975183 /nfs/dbraw/zinc/97/51/83/851975183.db2.gz KUUDXEFRAGSVED-UXHICEINSA-N 2 1 398.595 3.728 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000438132144 852054881 /nfs/dbraw/zinc/05/48/81/852054881.db2.gz YZGQXHAROWOQRH-UKILVPOCSA-N 2 1 397.607 3.763 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000517539922 852068674 /nfs/dbraw/zinc/06/86/74/852068674.db2.gz HVJHUGSFKITDLB-TZIWHRDSSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000517539922 852068687 /nfs/dbraw/zinc/06/86/87/852068687.db2.gz HVJHUGSFKITDLB-TZIWHRDSSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000517539922 852068701 /nfs/dbraw/zinc/06/87/01/852068701.db2.gz HVJHUGSFKITDLB-TZIWHRDSSA-N 2 1 386.584 3.776 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000517558468 852095144 /nfs/dbraw/zinc/09/51/44/852095144.db2.gz COJGOMLTZXGXHS-DZGCQCFKSA-N 2 1 384.364 3.990 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377951 852202777 /nfs/dbraw/zinc/20/27/77/852202777.db2.gz ZOWBOSVZKVQCHC-MSYCTHLASA-N 2 1 379.548 3.950 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C(=O)N(C)C)cc1 ZINC000292377951 852202785 /nfs/dbraw/zinc/20/27/85/852202785.db2.gz ZOWBOSVZKVQCHC-MSYCTHLASA-N 2 1 379.548 3.950 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000506921299 852338360 /nfs/dbraw/zinc/33/83/60/852338360.db2.gz IBISJQNUBVXCRU-WSTZPKSXSA-N 2 1 392.613 3.647 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506927599 852346270 /nfs/dbraw/zinc/34/62/70/852346270.db2.gz AJOCPKSRSGARGN-FGZHOGPDSA-N 2 1 392.632 3.795 20 0 GHADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000426766113 852351427 /nfs/dbraw/zinc/35/14/27/852351427.db2.gz WUWVZSXDWJGYKV-ZCNNSNEGSA-N 2 1 387.568 3.533 20 0 GHADMP CC1(C)CCC[C@@H]1[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000426809770 852420588 /nfs/dbraw/zinc/42/05/88/852420588.db2.gz GBBLSNVEHDKWKS-QFIPXVFZSA-N 2 1 383.580 3.810 20 0 GHADMP CCN(CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CCC(F)(F)F ZINC000426037398 852481592 /nfs/dbraw/zinc/48/15/92/852481592.db2.gz UUAJUVBYDWMLOC-SLFFLAALSA-N 2 1 383.502 3.761 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000489753986 852572111 /nfs/dbraw/zinc/57/21/11/852572111.db2.gz IIDRMXHQPHXOCC-BVYCBKJFSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000438573505 852573243 /nfs/dbraw/zinc/57/32/43/852573243.db2.gz LHKKKAFNYAVMAM-OALUTQOASA-N 2 1 395.547 3.652 20 0 GHADMP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c(Br)c1 ZINC000489887192 852623551 /nfs/dbraw/zinc/62/35/51/852623551.db2.gz UVEXTSQMQCCODW-UHFFFAOYSA-N 2 1 382.346 3.537 20 0 GHADMP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c(Br)c1 ZINC000489887192 852623556 /nfs/dbraw/zinc/62/35/56/852623556.db2.gz UVEXTSQMQCCODW-UHFFFAOYSA-N 2 1 382.346 3.537 20 0 GHADMP CC[NH2+]CC1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000414896247 852649137 /nfs/dbraw/zinc/64/91/37/852649137.db2.gz BEWIFHPKMLLCFI-UHFFFAOYSA-N 2 1 383.540 3.908 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000490137205 852786992 /nfs/dbraw/zinc/78/69/92/852786992.db2.gz POJNQIPTZNTKHE-XMMPIXPASA-N 2 1 399.554 3.931 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947003 852820405 /nfs/dbraw/zinc/82/04/05/852820405.db2.gz KFKYHZJNZZIODK-WMLDXEAASA-N 2 1 391.357 3.988 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000507355777 852823105 /nfs/dbraw/zinc/82/31/05/852823105.db2.gz CZYFZECOWMBMQY-HSZRJFAPSA-N 2 1 382.548 3.898 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000507355777 852823114 /nfs/dbraw/zinc/82/31/14/852823114.db2.gz CZYFZECOWMBMQY-HSZRJFAPSA-N 2 1 382.548 3.898 20 0 GHADMP Fc1ccc(COc2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2)cc1 ZINC000506011125 852944859 /nfs/dbraw/zinc/94/48/59/852944859.db2.gz YBQNUNLZYDUTBH-UHFFFAOYSA-N 2 1 397.538 3.618 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc(CC[NH+](C)C)cc3)C2)s1 ZINC000516877659 853107624 /nfs/dbraw/zinc/10/76/24/853107624.db2.gz ZTTDTKCADFTVDS-FQEVSTJZSA-N 2 1 399.604 3.755 20 0 GHADMP CC(C)Oc1ccccc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000518269380 853143703 /nfs/dbraw/zinc/14/37/03/853143703.db2.gz BUFMUUGFLUSKEU-QHCPKHFHSA-N 2 1 381.564 3.942 20 0 GHADMP c1cnc(N2CCC3(CCC[NH+](C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C3)CC2)nc1 ZINC001167986630 853147673 /nfs/dbraw/zinc/14/76/73/853147673.db2.gz HMPQXLMLVOFOSW-CBQGHPETSA-N 2 1 395.595 3.564 20 0 GHADMP c1cnc(N2CCC3(CCC[N@@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)CC2)nc1 ZINC001167986630 853147678 /nfs/dbraw/zinc/14/76/78/853147678.db2.gz HMPQXLMLVOFOSW-CBQGHPETSA-N 2 1 395.595 3.564 20 0 GHADMP c1cnc(N2CCC3(CCC[N@H+](C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C3)CC2)nc1 ZINC001167986630 853147681 /nfs/dbraw/zinc/14/76/81/853147681.db2.gz HMPQXLMLVOFOSW-CBQGHPETSA-N 2 1 395.595 3.564 20 0 GHADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000518295511 853172389 /nfs/dbraw/zinc/17/23/89/853172389.db2.gz RAADTQZCSOENNU-QFIPXVFZSA-N 2 1 386.584 3.592 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000438997677 853186736 /nfs/dbraw/zinc/18/67/36/853186736.db2.gz JMIFRKSFRMKAEA-NQIIRXRSSA-N 2 1 395.547 3.869 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000438997677 853186741 /nfs/dbraw/zinc/18/67/41/853186741.db2.gz JMIFRKSFRMKAEA-NQIIRXRSSA-N 2 1 395.547 3.869 20 0 GHADMP Cc1cc(Br)ccc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212142896 853201796 /nfs/dbraw/zinc/20/17/96/853201796.db2.gz VTRAVBHAYXMQBM-HNNXBMFYSA-N 2 1 381.318 3.976 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000506475553 853232030 /nfs/dbraw/zinc/23/20/30/853232030.db2.gz XYJMDRJOIOYXLL-AKIFATBCSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000506475553 853232036 /nfs/dbraw/zinc/23/20/36/853232036.db2.gz XYJMDRJOIOYXLL-AKIFATBCSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1C ZINC000506475553 853232045 /nfs/dbraw/zinc/23/20/45/853232045.db2.gz XYJMDRJOIOYXLL-AKIFATBCSA-N 2 1 388.596 3.938 20 0 GHADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1C ZINC000506475553 853232051 /nfs/dbraw/zinc/23/20/51/853232051.db2.gz XYJMDRJOIOYXLL-AKIFATBCSA-N 2 1 388.596 3.938 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C/C(C)=C/c3ccccc3)CC2)CC1 ZINC000517039467 853281842 /nfs/dbraw/zinc/28/18/42/853281842.db2.gz FHLLMTUXKVDVBO-CZIZESTLSA-N 2 1 383.580 3.745 20 0 GHADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1Cl ZINC000517057808 853295198 /nfs/dbraw/zinc/29/51/98/853295198.db2.gz UFURTJFDXUECDP-ROUUACIJSA-N 2 1 380.960 3.739 20 0 GHADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000490892884 853336913 /nfs/dbraw/zinc/33/69/13/853336913.db2.gz ZJGNWUTVKRJVBP-SFHVURJKSA-N 2 1 380.602 3.552 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](C2CC[NH+](CC4CC4)CC2)C3)c1 ZINC001168377044 853406730 /nfs/dbraw/zinc/40/67/30/853406730.db2.gz ABXNNGITQHSLJS-VWNXMTODSA-N 2 1 383.580 3.883 20 0 GHADMP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491030033 853408091 /nfs/dbraw/zinc/40/80/91/853408091.db2.gz VDPNVWXIXRJZPY-HXUWFJFHSA-N 2 1 379.548 3.882 20 0 GHADMP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CCO1 ZINC000664658514 853526721 /nfs/dbraw/zinc/52/67/21/853526721.db2.gz QKBWMFCBDZKTGL-OAHLLOKOSA-N 2 1 378.314 3.544 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440706776 853548253 /nfs/dbraw/zinc/54/82/53/853548253.db2.gz VNTBHOXXBZFCEU-OAQYLSRUSA-N 2 1 387.593 3.889 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604781535 862477382 /nfs/dbraw/zinc/47/73/82/862477382.db2.gz OQCXECIOVFUULL-SFTDATJTSA-N 2 1 388.600 3.564 20 0 GHADMP O=C1CC[C@@H]2[C@@H](CC[NH+]2C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)N1c1ccccc1 ZINC001167988639 853642522 /nfs/dbraw/zinc/64/25/22/853642522.db2.gz LIDSLDSHNTYRCF-ARMVQHAZSA-N 2 1 379.548 3.662 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000604790239 862487124 /nfs/dbraw/zinc/48/71/24/862487124.db2.gz IANQLEWSZBMSKD-UXHICEINSA-N 2 1 391.559 3.775 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000604790239 862487130 /nfs/dbraw/zinc/48/71/30/862487130.db2.gz IANQLEWSZBMSKD-UXHICEINSA-N 2 1 391.559 3.775 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001168377747 853680460 /nfs/dbraw/zinc/68/04/60/853680460.db2.gz HDWUQSOETKCWPW-KNQAVFIVSA-N 2 1 395.563 3.532 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000571164831 853776496 /nfs/dbraw/zinc/77/64/96/853776496.db2.gz DSAGUMVPHFJEMT-DLBZAZTESA-N 2 1 378.442 3.713 20 0 GHADMP Cc1c(Br)cc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC001205053073 862529251 /nfs/dbraw/zinc/52/92/51/862529251.db2.gz JEMUQHMYRCAMLX-UHFFFAOYSA-N 2 1 376.136 3.691 20 0 GHADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000441345762 854137422 /nfs/dbraw/zinc/13/74/22/854137422.db2.gz HOUZGQSFMDKZGV-JKSUJKDBSA-N 2 1 375.340 3.539 20 0 GHADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000441345762 854137425 /nfs/dbraw/zinc/13/74/25/854137425.db2.gz HOUZGQSFMDKZGV-JKSUJKDBSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000441345762 854137430 /nfs/dbraw/zinc/13/74/30/854137430.db2.gz HOUZGQSFMDKZGV-JKSUJKDBSA-N 2 1 375.340 3.539 20 0 GHADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000441345762 854137435 /nfs/dbraw/zinc/13/74/35/854137435.db2.gz HOUZGQSFMDKZGV-JKSUJKDBSA-N 2 1 375.340 3.539 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000571882060 854172939 /nfs/dbraw/zinc/17/29/39/854172939.db2.gz MZRFQXJQTRGADX-MOPGFXCFSA-N 2 1 392.469 3.772 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441406226 854202978 /nfs/dbraw/zinc/20/29/78/854202978.db2.gz XDJSFJMRIDRVSD-AAIMPIBUSA-N 2 1 386.580 3.673 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000441406226 854202983 /nfs/dbraw/zinc/20/29/83/854202983.db2.gz XDJSFJMRIDRVSD-AAIMPIBUSA-N 2 1 386.580 3.673 20 0 GHADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000441406226 854202991 /nfs/dbraw/zinc/20/29/91/854202991.db2.gz XDJSFJMRIDRVSD-AAIMPIBUSA-N 2 1 386.580 3.673 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000572047559 854344558 /nfs/dbraw/zinc/34/45/58/854344558.db2.gz MOYIHLOULHWWKU-ZTCOLXNVSA-N 2 1 391.559 3.596 20 0 GHADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1 ZINC000572047559 854344560 /nfs/dbraw/zinc/34/45/60/854344560.db2.gz MOYIHLOULHWWKU-ZTCOLXNVSA-N 2 1 391.559 3.596 20 0 GHADMP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709194 854368526 /nfs/dbraw/zinc/36/85/26/854368526.db2.gz JQOZJFKZMGKCRI-FGTMMUONSA-N 2 1 384.524 3.619 20 0 GHADMP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588709194 854368532 /nfs/dbraw/zinc/36/85/32/854368532.db2.gz JQOZJFKZMGKCRI-FGTMMUONSA-N 2 1 384.524 3.619 20 0 GHADMP CN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113093344 854372261 /nfs/dbraw/zinc/37/22/61/854372261.db2.gz MUMCPDKVXSLWSQ-DEOSSOPVSA-N 2 1 391.559 3.774 20 0 GHADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccccc2)cc1 ZINC000572149620 854388410 /nfs/dbraw/zinc/38/84/10/854388410.db2.gz MIGLLIIQUHXRLK-GVXSCFBNSA-N 2 1 396.575 3.783 20 0 GHADMP C[C@@H](N[C@@H](C)c1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000550390734 854432822 /nfs/dbraw/zinc/43/28/22/854432822.db2.gz GGTOATBJPAJVSD-SCTDSRPQSA-N 2 1 385.939 3.770 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000550390734 854432826 /nfs/dbraw/zinc/43/28/26/854432826.db2.gz GGTOATBJPAJVSD-SCTDSRPQSA-N 2 1 385.939 3.770 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441431343 854652525 /nfs/dbraw/zinc/65/25/25/854652525.db2.gz BOLTZAGUNAXGLI-RDJZCZTQSA-N 2 1 387.351 3.541 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441431343 854652530 /nfs/dbraw/zinc/65/25/30/854652530.db2.gz BOLTZAGUNAXGLI-RDJZCZTQSA-N 2 1 387.351 3.541 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000589205243 854749295 /nfs/dbraw/zinc/74/92/95/854749295.db2.gz YWVOHBHTNSATPR-ROUUACIJSA-N 2 1 380.602 3.551 20 0 GHADMP Cc1ccccc1-c1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cs1 ZINC000589322624 854809125 /nfs/dbraw/zinc/80/91/25/854809125.db2.gz HQJUTMNDOXCFBJ-UHFFFAOYSA-N 2 1 393.516 3.518 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000589669859 855117500 /nfs/dbraw/zinc/11/75/00/855117500.db2.gz BKTKPFBCYSFEOW-IBGZPJMESA-N 2 1 388.600 3.790 20 0 GHADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589998840 855221329 /nfs/dbraw/zinc/22/13/29/855221329.db2.gz ZRPUCAODBJAWQU-HBMCJLEFSA-N 2 1 385.596 3.723 20 0 GHADMP CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999834 855221587 /nfs/dbraw/zinc/22/15/87/855221587.db2.gz YQGGDKZUNRSOMQ-UHFFFAOYSA-N 2 1 391.462 3.810 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999834 855221598 /nfs/dbraw/zinc/22/15/98/855221598.db2.gz YQGGDKZUNRSOMQ-UHFFFAOYSA-N 2 1 391.462 3.810 20 0 GHADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000590006353 855222580 /nfs/dbraw/zinc/22/25/80/855222580.db2.gz UEHXRKFBMADEBA-GOTSBHOMSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1)c1ccccc1 ZINC000590006353 855222588 /nfs/dbraw/zinc/22/25/88/855222588.db2.gz UEHXRKFBMADEBA-GOTSBHOMSA-N 2 1 395.547 3.641 20 0 GHADMP CC[C@@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)[NH+]1CCc2ccccc2C1 ZINC000590395797 855387954 /nfs/dbraw/zinc/38/79/54/855387954.db2.gz ILCIHSLFNMCBGH-GOTSBHOMSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@@H](CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC)[NH+]1CCc2ccccc2C1 ZINC000590395797 855387964 /nfs/dbraw/zinc/38/79/64/855387964.db2.gz ILCIHSLFNMCBGH-GOTSBHOMSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)CC)[N@@H+]1CCc2ccccc2C1 ZINC000590395797 855387972 /nfs/dbraw/zinc/38/79/72/855387972.db2.gz ILCIHSLFNMCBGH-GOTSBHOMSA-N 2 1 379.548 3.633 20 0 GHADMP CC[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)CC)[N@H+]1CCc2ccccc2C1 ZINC000590395797 855387983 /nfs/dbraw/zinc/38/79/83/855387983.db2.gz ILCIHSLFNMCBGH-GOTSBHOMSA-N 2 1 379.548 3.633 20 0 GHADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647986627 855417860 /nfs/dbraw/zinc/41/78/60/855417860.db2.gz URVFQBCYOGQLPK-VIZSFHNOSA-N 2 1 393.531 3.697 20 0 GHADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000536428834 855471455 /nfs/dbraw/zinc/47/14/55/855471455.db2.gz WKZGCQOXLJVEPW-JOCHJYFZSA-N 2 1 384.568 3.554 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168001771 855500996 /nfs/dbraw/zinc/50/09/96/855500996.db2.gz HLCGSBDXSAAHQF-HWPVKAJDSA-N 2 1 380.536 3.514 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168001771 855501005 /nfs/dbraw/zinc/50/10/05/855501005.db2.gz HLCGSBDXSAAHQF-HWPVKAJDSA-N 2 1 380.536 3.514 20 0 GHADMP O=C1Nc2ccccc2CN1[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168001771 855501018 /nfs/dbraw/zinc/50/10/18/855501018.db2.gz HLCGSBDXSAAHQF-HWPVKAJDSA-N 2 1 380.536 3.514 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000590786416 855584744 /nfs/dbraw/zinc/58/47/44/855584744.db2.gz AECPETHRIQAURL-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000590786416 855584749 /nfs/dbraw/zinc/58/47/49/855584749.db2.gz AECPETHRIQAURL-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000590786416 855584752 /nfs/dbraw/zinc/58/47/52/855584752.db2.gz AECPETHRIQAURL-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000465709106 855625511 /nfs/dbraw/zinc/62/55/11/855625511.db2.gz NQWGNMCZKMTEJS-RXVVDRJESA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000465709106 855625513 /nfs/dbraw/zinc/62/55/13/855625513.db2.gz NQWGNMCZKMTEJS-RXVVDRJESA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000465709106 855625514 /nfs/dbraw/zinc/62/55/14/855625514.db2.gz NQWGNMCZKMTEJS-RXVVDRJESA-N 2 1 386.584 3.733 20 0 GHADMP CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001168002825 855631169 /nfs/dbraw/zinc/63/11/69/855631169.db2.gz ZLDSBDXRFKIGHA-DVMHTGGUSA-N 2 1 397.607 3.615 20 0 GHADMP CC[NH+](C[C@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168002825 855631173 /nfs/dbraw/zinc/63/11/73/855631173.db2.gz ZLDSBDXRFKIGHA-DVMHTGGUSA-N 2 1 397.607 3.615 20 0 GHADMP CC[NH+](C[C@H]1CN(Cc2ccccc2)CCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001168002825 855631176 /nfs/dbraw/zinc/63/11/76/855631176.db2.gz ZLDSBDXRFKIGHA-DVMHTGGUSA-N 2 1 397.607 3.615 20 0 GHADMP c1ccc(C[NH+]2CC3(C2)CCCN(C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)C3)cc1 ZINC001168002723 855632086 /nfs/dbraw/zinc/63/20/86/855632086.db2.gz WHEQKSLERJZKDY-VSGJHWFKSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(CN2CC3(C2)CCC[NH+](C2C[C@H]4CC[C@@H](C2)[N@H+]4CC2CC2)C3)cc1 ZINC001168002723 855632093 /nfs/dbraw/zinc/63/20/93/855632093.db2.gz WHEQKSLERJZKDY-VSGJHWFKSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(CN2CC3(C2)CCC[NH+](C2C[C@H]4CC[C@@H](C2)[N@@H+]4CC2CC2)C3)cc1 ZINC001168002723 855632096 /nfs/dbraw/zinc/63/20/96/855632096.db2.gz WHEQKSLERJZKDY-VSGJHWFKSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(CN2CC3(C2)CCC[N@@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)C3)cc1 ZINC001168002723 855632103 /nfs/dbraw/zinc/63/21/03/855632103.db2.gz WHEQKSLERJZKDY-VSGJHWFKSA-N 2 1 379.592 3.990 20 0 GHADMP c1ccc(CN2CC3(C2)CCC[N@H+](C2C[C@H]4CC[C@@H](C2)[NH+]4CC2CC2)C3)cc1 ZINC001168002723 855632107 /nfs/dbraw/zinc/63/21/07/855632107.db2.gz WHEQKSLERJZKDY-VSGJHWFKSA-N 2 1 379.592 3.990 20 0 GHADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(O)cc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000573051128 855705042 /nfs/dbraw/zinc/70/50/42/855705042.db2.gz CRXLYMKCHZVRQY-HUUCEWRRSA-N 2 1 386.458 3.732 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000591074082 855767071 /nfs/dbraw/zinc/76/70/71/855767071.db2.gz RCANFRJJORTMKU-LJQANCHMSA-N 2 1 387.568 3.544 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3C)CCOCC2)[C@H](C)C1 ZINC000152410274 855941872 /nfs/dbraw/zinc/94/18/72/855941872.db2.gz YVALPQSFDRAHLG-GGAORHGYSA-N 2 1 388.596 3.770 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[NH+](C)C1CCCC1 ZINC000591407370 855962293 /nfs/dbraw/zinc/96/22/93/855962293.db2.gz WQAKUQWMRUGRRW-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000591407370 855962307 /nfs/dbraw/zinc/96/23/07/855962307.db2.gz WQAKUQWMRUGRRW-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000591407370 855962314 /nfs/dbraw/zinc/96/23/14/855962314.db2.gz WQAKUQWMRUGRRW-LJQANCHMSA-N 2 1 386.584 3.735 20 0 GHADMP FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000573244340 856021591 /nfs/dbraw/zinc/02/15/91/856021591.db2.gz BLFRSBSOCJERGK-HMXCVIKNSA-N 2 1 395.513 3.903 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000459131578 856111773 /nfs/dbraw/zinc/11/17/73/856111773.db2.gz BAHPUALSJJMDEM-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000459131578 856111780 /nfs/dbraw/zinc/11/17/80/856111780.db2.gz BAHPUALSJJMDEM-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000459131578 856111785 /nfs/dbraw/zinc/11/17/85/856111785.db2.gz BAHPUALSJJMDEM-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459170847 856205056 /nfs/dbraw/zinc/20/50/56/856205056.db2.gz XDNYXQSTGGEKCG-UGKGYDQZSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000459170847 856205066 /nfs/dbraw/zinc/20/50/66/856205066.db2.gz XDNYXQSTGGEKCG-UGKGYDQZSA-N 2 1 386.584 3.728 20 0 GHADMP CCN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000459170847 856205073 /nfs/dbraw/zinc/20/50/73/856205073.db2.gz XDNYXQSTGGEKCG-UGKGYDQZSA-N 2 1 386.584 3.728 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237405 856267986 /nfs/dbraw/zinc/26/79/86/856267986.db2.gz ZHGBKVNZUZGIQI-FAKFISEUSA-N 2 1 391.559 3.853 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237405 856267998 /nfs/dbraw/zinc/26/79/98/856267998.db2.gz ZHGBKVNZUZGIQI-FAKFISEUSA-N 2 1 391.559 3.853 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172567136 856480332 /nfs/dbraw/zinc/48/03/32/856480332.db2.gz MHHRBMKQMFGWBR-UHFFFAOYSA-N 2 1 398.595 3.559 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919969 856616506 /nfs/dbraw/zinc/61/65/06/856616506.db2.gz BVCNBKQWPXKHND-SFTDATJTSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919969 856616512 /nfs/dbraw/zinc/61/65/12/856616512.db2.gz BVCNBKQWPXKHND-SFTDATJTSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919969 856616528 /nfs/dbraw/zinc/61/65/28/856616528.db2.gz BVCNBKQWPXKHND-SFTDATJTSA-N 2 1 383.580 3.797 20 0 GHADMP CC(C)(C[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1)C(N)=O ZINC000573919969 856616533 /nfs/dbraw/zinc/61/65/33/856616533.db2.gz BVCNBKQWPXKHND-SFTDATJTSA-N 2 1 383.580 3.797 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000507888639 856629467 /nfs/dbraw/zinc/62/94/67/856629467.db2.gz CNJIEXJPGNONIJ-IXFQGEIQSA-N 2 1 385.596 3.727 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000507888639 856629472 /nfs/dbraw/zinc/62/94/72/856629472.db2.gz CNJIEXJPGNONIJ-IXFQGEIQSA-N 2 1 385.596 3.727 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)c1 ZINC000482246418 862836761 /nfs/dbraw/zinc/83/67/61/862836761.db2.gz QHNYNGKUMKMREW-HXOBKFHXSA-N 2 1 386.511 3.806 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(Br)c1 ZINC000658146467 856816787 /nfs/dbraw/zinc/81/67/87/856816787.db2.gz VGCIMUAFEAQPMZ-MGPUTAFESA-N 2 1 389.337 3.867 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)cc1 ZINC000573966946 856832336 /nfs/dbraw/zinc/83/23/36/856832336.db2.gz CZORHVMTZQNNEQ-RTWAWAEBSA-N 2 1 398.572 3.649 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)cc1 ZINC000573966946 856832341 /nfs/dbraw/zinc/83/23/41/856832341.db2.gz CZORHVMTZQNNEQ-RTWAWAEBSA-N 2 1 398.572 3.649 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000427888017 856846836 /nfs/dbraw/zinc/84/68/36/856846836.db2.gz CIKVEPLQKAECMQ-OEMFJLHTSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000427888017 856846840 /nfs/dbraw/zinc/84/68/40/856846840.db2.gz CIKVEPLQKAECMQ-OEMFJLHTSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000427888017 856846845 /nfs/dbraw/zinc/84/68/45/856846845.db2.gz CIKVEPLQKAECMQ-OEMFJLHTSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000427888017 856846852 /nfs/dbraw/zinc/84/68/52/856846852.db2.gz CIKVEPLQKAECMQ-OEMFJLHTSA-N 2 1 387.612 3.768 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000427888017 856846857 /nfs/dbraw/zinc/84/68/57/856846857.db2.gz CIKVEPLQKAECMQ-OEMFJLHTSA-N 2 1 387.612 3.768 20 0 GHADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592492222 856898993 /nfs/dbraw/zinc/89/89/93/856898993.db2.gz WWVLMBWTBVKBKA-RTBURBONSA-N 2 1 399.560 3.808 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1C)C1CC1 ZINC000465915922 856949848 /nfs/dbraw/zinc/94/98/48/856949848.db2.gz BPAINJGTFIOPJO-IFMALSPDSA-N 2 1 386.584 3.504 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)sc1Cl ZINC000499504994 857028656 /nfs/dbraw/zinc/02/86/56/857028656.db2.gz AJSMXVWAHKCUOC-LBPRGKRZSA-N 2 1 378.369 3.543 20 0 GHADMP CCc1noc(C2CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)c(F)c3)CC2)n1 ZINC000665253479 857051682 /nfs/dbraw/zinc/05/16/82/857051682.db2.gz RVBOAYUQQKZUPP-VLEUTVDFSA-N 2 1 390.478 3.672 20 0 GHADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000508204401 857067471 /nfs/dbraw/zinc/06/74/71/857067471.db2.gz HBSFMCFMGJPLLA-FQEVSTJZSA-N 2 1 386.584 3.828 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000508266027 857120959 /nfs/dbraw/zinc/12/09/59/857120959.db2.gz LEGJHWSPIWHJAK-UHFFFAOYSA-N 2 1 388.600 3.840 20 0 GHADMP CCCc1nc(C)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000428208451 857190494 /nfs/dbraw/zinc/19/04/94/857190494.db2.gz OVSYYROAFVJYDW-UHFFFAOYSA-N 2 1 376.589 3.564 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000520835061 857300171 /nfs/dbraw/zinc/30/01/71/857300171.db2.gz WXDYGNAXJLHBTM-UHFFFAOYSA-N 2 1 385.552 3.535 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC)cc2Br)CC1 ZINC000181492831 862900029 /nfs/dbraw/zinc/90/00/29/862900029.db2.gz VVLYMSVUIURIGR-MRXNPFEDSA-N 2 1 398.389 3.526 20 0 GHADMP CCCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486025616 857356032 /nfs/dbraw/zinc/35/60/32/857356032.db2.gz CNYIVSYBTWGMKX-RTWAWAEBSA-N 2 1 380.536 3.664 20 0 GHADMP CCCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486025616 857356036 /nfs/dbraw/zinc/35/60/36/857356036.db2.gz CNYIVSYBTWGMKX-RTWAWAEBSA-N 2 1 380.536 3.664 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555554 857464649 /nfs/dbraw/zinc/46/46/49/857464649.db2.gz LOBVYZQNVWMFLU-HSALFYBXSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555554 857464654 /nfs/dbraw/zinc/46/46/54/857464654.db2.gz LOBVYZQNVWMFLU-HSALFYBXSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672555554 857464661 /nfs/dbraw/zinc/46/46/61/857464661.db2.gz LOBVYZQNVWMFLU-HSALFYBXSA-N 2 1 392.975 3.649 20 0 GHADMP [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417989864 857537427 /nfs/dbraw/zinc/53/74/27/857537427.db2.gz JWUFEZCYYFQMCH-AEFFLSMTSA-N 2 1 399.366 3.527 20 0 GHADMP CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000061788799 857542707 /nfs/dbraw/zinc/54/27/07/857542707.db2.gz AVSNUSSRAZXVQX-UHFFFAOYSA-N 2 1 390.597 3.574 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000061788799 857542716 /nfs/dbraw/zinc/54/27/16/857542716.db2.gz AVSNUSSRAZXVQX-UHFFFAOYSA-N 2 1 390.597 3.574 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000521056401 857550519 /nfs/dbraw/zinc/55/05/19/857550519.db2.gz FEWULRKXWJRCMF-OALUTQOASA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@H+]1CCc2ccccc2C1 ZINC000521056401 857550525 /nfs/dbraw/zinc/55/05/25/857550525.db2.gz FEWULRKXWJRCMF-OALUTQOASA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1CCc2ccccc2C1 ZINC000521056401 857550530 /nfs/dbraw/zinc/55/05/30/857550530.db2.gz FEWULRKXWJRCMF-OALUTQOASA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCc2ccccc2C1 ZINC000521056401 857550536 /nfs/dbraw/zinc/55/05/36/857550536.db2.gz FEWULRKXWJRCMF-OALUTQOASA-N 2 1 397.588 3.523 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063758546 857654542 /nfs/dbraw/zinc/65/45/42/857654542.db2.gz LCFHUMFTXNEMOS-OYRHEFFESA-N 2 1 385.596 3.773 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc4[nH]c(=O)oc4c3)cc2)CC1 ZINC000671741650 857744311 /nfs/dbraw/zinc/74/43/11/857744311.db2.gz IXPADNZXNUJQLR-KRWDZBQOSA-N 2 1 394.519 3.522 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740786 857748276 /nfs/dbraw/zinc/74/82/76/857748276.db2.gz FCEWSEYZXKDXDX-UTKZUKDTSA-N 2 1 394.519 3.563 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000671740285 857751446 /nfs/dbraw/zinc/75/14/46/857751446.db2.gz GXQGVYDIYWXNKI-ALJFMCDRSA-N 2 1 390.575 3.923 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)C1CC[NH+](C)CC1 ZINC000668631184 857823849 /nfs/dbraw/zinc/82/38/49/857823849.db2.gz OHVONJSEXIRAED-ZJSXRUAMSA-N 2 1 385.596 3.998 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)C1CC[NH+](C)CC1 ZINC000668631178 857824291 /nfs/dbraw/zinc/82/42/91/857824291.db2.gz OHVONJSEXIRAED-QPPBQGQZSA-N 2 1 385.596 3.998 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281327085 862957852 /nfs/dbraw/zinc/95/78/52/862957852.db2.gz SYDMDVUOEUHSGV-QHCPKHFHSA-N 2 1 382.527 3.599 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000605340203 862967413 /nfs/dbraw/zinc/96/74/13/862967413.db2.gz SOJFTFBYNJQGNH-MOPGFXCFSA-N 2 1 390.572 3.649 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1SC ZINC000442609693 857996500 /nfs/dbraw/zinc/99/65/00/857996500.db2.gz MCBWESFQDACXNH-ZWKOTPCHSA-N 2 1 392.613 3.527 20 0 GHADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181704865 862977794 /nfs/dbraw/zinc/97/77/94/862977794.db2.gz VGRSFJCJPWUFNA-SFHVURJKSA-N 2 1 386.353 3.657 20 0 GHADMP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C12CCC2 ZINC000181737383 862992471 /nfs/dbraw/zinc/99/24/71/862992471.db2.gz CTINMNOJBPPCIZ-OALUTQOASA-N 2 1 377.598 3.855 20 0 GHADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000442864830 858183387 /nfs/dbraw/zinc/18/33/87/858183387.db2.gz DPFCCSCGXSUSLS-SLFFLAALSA-N 2 1 387.474 3.726 20 0 GHADMP FC(F)COc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000442864830 858183395 /nfs/dbraw/zinc/18/33/95/858183395.db2.gz DPFCCSCGXSUSLS-SLFFLAALSA-N 2 1 387.474 3.726 20 0 GHADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000681392632 858184187 /nfs/dbraw/zinc/18/41/87/858184187.db2.gz OKZVXYJJXVEJTD-UZKOGDIHSA-N 2 1 377.536 3.927 20 0 GHADMP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nnc2ccccn21 ZINC000681392632 858184191 /nfs/dbraw/zinc/18/41/91/858184191.db2.gz OKZVXYJJXVEJTD-UZKOGDIHSA-N 2 1 377.536 3.927 20 0 GHADMP C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000673132188 858264011 /nfs/dbraw/zinc/26/40/11/858264011.db2.gz VLYKOQRRSVZTLF-PMOQBDJRSA-N 2 1 394.563 3.594 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058027 858343369 /nfs/dbraw/zinc/34/33/69/858343369.db2.gz IVETZNBDFGBJOH-NWDGAFQWSA-N 2 1 377.838 3.747 20 0 GHADMP Cc1ccc(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c(N2CCCC2)[nH+]1 ZINC000669555741 858385786 /nfs/dbraw/zinc/38/57/86/858385786.db2.gz DTTBNPKMVICGRO-NRFANRHFSA-N 2 1 395.551 3.613 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000574916346 858393835 /nfs/dbraw/zinc/39/38/35/858393835.db2.gz LMURXAAJHIWMFI-BHIFYINESA-N 2 1 383.580 3.857 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000574916346 858393841 /nfs/dbraw/zinc/39/38/41/858393841.db2.gz LMURXAAJHIWMFI-BHIFYINESA-N 2 1 383.580 3.857 20 0 GHADMP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)n1ccnc1 ZINC000521881095 858400418 /nfs/dbraw/zinc/40/04/18/858400418.db2.gz PZUROAIOAXNIPL-MRXNPFEDSA-N 2 1 394.441 3.588 20 0 GHADMP C[C@H](CC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)n1ccnc1 ZINC000521881095 858400423 /nfs/dbraw/zinc/40/04/23/858400423.db2.gz PZUROAIOAXNIPL-MRXNPFEDSA-N 2 1 394.441 3.588 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469767753 858489074 /nfs/dbraw/zinc/48/90/74/858489074.db2.gz GCVDQNPSPDRLIV-GDBMZVCRSA-N 2 1 380.401 3.701 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469767753 858489078 /nfs/dbraw/zinc/48/90/78/858489078.db2.gz GCVDQNPSPDRLIV-GDBMZVCRSA-N 2 1 380.401 3.701 20 0 GHADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000575056764 858507409 /nfs/dbraw/zinc/50/74/09/858507409.db2.gz QWKRYKXYVBBKSU-APWZRJJASA-N 2 1 397.485 3.694 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000522049262 858571573 /nfs/dbraw/zinc/57/15/73/858571573.db2.gz VSQQECCPUZNGQX-JOCHJYFZSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000079613386 858593357 /nfs/dbraw/zinc/59/33/57/858593357.db2.gz BMFULCJFJDSDTO-WOJBJXKFSA-N 2 1 380.621 3.506 20 0 GHADMP CC(C)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000522084626 858608336 /nfs/dbraw/zinc/60/83/36/858608336.db2.gz WMRXAWHDMMILLG-UHFFFAOYSA-N 2 1 397.538 3.948 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000474044024 858620586 /nfs/dbraw/zinc/62/05/86/858620586.db2.gz HDWFGWWKFSTCOO-DEOSSOPVSA-N 2 1 393.575 3.955 20 0 GHADMP Clc1ccc(OCC2CC2)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000482643364 858717993 /nfs/dbraw/zinc/71/79/93/858717993.db2.gz OTGVTOYOMHBTOD-UHFFFAOYSA-N 2 1 378.944 3.673 20 0 GHADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000183594128 858778657 /nfs/dbraw/zinc/77/86/57/858778657.db2.gz SQADWBVGZJAOFX-UHFFFAOYSA-N 2 1 377.476 3.547 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC(F)(F)CC1 ZINC000474074557 858781550 /nfs/dbraw/zinc/78/15/50/858781550.db2.gz RGAQUGDYGQWEQN-OXJNMPFZSA-N 2 1 393.522 3.688 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000183672240 858792696 /nfs/dbraw/zinc/79/26/96/858792696.db2.gz BONKXWXVHJZITD-HNAYVOBHSA-N 2 1 385.895 3.925 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCCOC2CCCCC2)cc1 ZINC000183678256 858794598 /nfs/dbraw/zinc/79/45/98/858794598.db2.gz FHKWXGBOXKPHLF-SFHVURJKSA-N 2 1 398.551 3.687 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000116066962 858811633 /nfs/dbraw/zinc/81/16/33/858811633.db2.gz AMSGNYXMICUWMC-GBXCKJPGSA-N 2 1 391.559 3.993 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCc3cccc(F)c3F)CC2)CC1 ZINC000543206810 858882467 /nfs/dbraw/zinc/88/24/67/858882467.db2.gz BVYILXOFXCOLFV-UHFFFAOYSA-N 2 1 379.539 3.635 20 0 GHADMP C[N@@H+](CCc1cccc(F)c1F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000543206810 858882474 /nfs/dbraw/zinc/88/24/74/858882474.db2.gz BVYILXOFXCOLFV-UHFFFAOYSA-N 3 1 379.539 3.635 20 0 GHADMP C[N@H+](CCc1cccc(F)c1F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000543206810 858882482 /nfs/dbraw/zinc/88/24/82/858882482.db2.gz BVYILXOFXCOLFV-UHFFFAOYSA-N 3 1 379.539 3.635 20 0 GHADMP CC(C)(C)OC(=O)NC[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000922971130 858908868 /nfs/dbraw/zinc/90/88/68/858908868.db2.gz HMMRIBVEOFMRPK-IBPRQYQWSA-N 2 1 399.579 3.828 20 0 GHADMP c1c2ccncc2sc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000668145037 858917448 /nfs/dbraw/zinc/91/74/48/858917448.db2.gz ANDQNQSNNVGNQE-OAQYLSRUSA-N 2 1 392.572 3.688 20 0 GHADMP c1c2ccncc2sc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000668145037 858917454 /nfs/dbraw/zinc/91/74/54/858917454.db2.gz ANDQNQSNNVGNQE-OAQYLSRUSA-N 2 1 392.572 3.688 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000482869347 858929210 /nfs/dbraw/zinc/92/92/10/858929210.db2.gz MYZSTALBXLCEKI-DEOSSOPVSA-N 2 1 393.575 3.893 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(SC)s3)C2)ccn1 ZINC000856551618 881371798 /nfs/dbraw/zinc/37/17/98/881371798.db2.gz VNNIUSRKBMRBCS-KRWDZBQOSA-N 2 1 377.579 3.970 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(SC)s3)C2)ccn1 ZINC000856551618 881371818 /nfs/dbraw/zinc/37/18/18/881371818.db2.gz VNNIUSRKBMRBCS-KRWDZBQOSA-N 2 1 377.579 3.970 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(SC)s3)C2)ccn1 ZINC000856551618 881371839 /nfs/dbraw/zinc/37/18/39/881371839.db2.gz VNNIUSRKBMRBCS-KRWDZBQOSA-N 2 1 377.579 3.970 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc(N4CCOCC4)cc[nH+]2)C3)cc1 ZINC001170330878 881372163 /nfs/dbraw/zinc/37/21/63/881372163.db2.gz VNQRVWZVBDAJNT-MMVMTREESA-N 2 1 378.520 3.526 20 0 GHADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000466300098 859024376 /nfs/dbraw/zinc/02/43/76/859024376.db2.gz WCFXKDWENYJIBA-FGZHOGPDSA-N 2 1 390.616 3.549 20 0 GHADMP O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000011080976 859093460 /nfs/dbraw/zinc/09/34/60/859093460.db2.gz QYQRPSFGCOWXML-HSZRJFAPSA-N 2 1 395.522 3.921 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185684322 859115462 /nfs/dbraw/zinc/11/54/62/859115462.db2.gz YTJHTXZSMIVPCC-HUUCEWRRSA-N 2 1 383.458 3.887 20 0 GHADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185684322 859115473 /nfs/dbraw/zinc/11/54/73/859115473.db2.gz YTJHTXZSMIVPCC-HUUCEWRRSA-N 2 1 383.458 3.887 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185757290 859125740 /nfs/dbraw/zinc/12/57/40/859125740.db2.gz YZQGYAYIPKZINF-SQGPQFPESA-N 2 1 389.609 3.827 20 0 GHADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185757290 859125750 /nfs/dbraw/zinc/12/57/50/859125750.db2.gz YZQGYAYIPKZINF-SQGPQFPESA-N 2 1 389.609 3.827 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000191480571 859176026 /nfs/dbraw/zinc/17/60/26/859176026.db2.gz FFGADFLWTSKIGP-MRXNPFEDSA-N 2 1 376.932 3.516 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000191480571 859176031 /nfs/dbraw/zinc/17/60/31/859176031.db2.gz FFGADFLWTSKIGP-MRXNPFEDSA-N 2 1 376.932 3.516 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000483141290 859176596 /nfs/dbraw/zinc/17/65/96/859176596.db2.gz HADUALQHYNWRQU-RZUBCFFCSA-N 2 1 386.584 3.603 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000191507723 859228028 /nfs/dbraw/zinc/22/80/28/859228028.db2.gz XSRNFYLJWYISLN-ZWKOTPCHSA-N 2 1 388.581 3.971 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000191507723 859228047 /nfs/dbraw/zinc/22/80/47/859228047.db2.gz XSRNFYLJWYISLN-ZWKOTPCHSA-N 2 1 388.581 3.971 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2CCN(c3ccccc3)CC2)cc1 ZINC000532200759 881399614 /nfs/dbraw/zinc/39/96/14/881399614.db2.gz AVDQTLYPQZKLCT-HXUWFJFHSA-N 2 1 389.547 3.654 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000466715072 859257598 /nfs/dbraw/zinc/25/75/98/859257598.db2.gz DTLZBYAHAZJLHD-QGZVFWFLSA-N 2 1 395.975 3.798 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000597051826 859264985 /nfs/dbraw/zinc/26/49/85/859264985.db2.gz MOHWQQPIQMRSOL-INIZCTEOSA-N 2 1 376.497 3.676 20 0 GHADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000597051826 859264995 /nfs/dbraw/zinc/26/49/95/859264995.db2.gz MOHWQQPIQMRSOL-INIZCTEOSA-N 2 1 376.497 3.676 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCC2CCCCC2)CC1)Cc1ccccc1 ZINC000483278805 859266641 /nfs/dbraw/zinc/26/66/41/859266641.db2.gz JSLMLYPPGSENRS-UHFFFAOYSA-N 2 1 385.596 3.917 20 0 GHADMP Cc1cccc(C2(C(=O)N(C)[C@H]3CC[N@H+](C4CCN(C)CC4)C3)CCCCC2)c1 ZINC000601476823 859288581 /nfs/dbraw/zinc/28/85/81/859288581.db2.gz KZWKEGBYDYTLCH-QHCPKHFHSA-N 2 1 397.607 3.824 20 0 GHADMP Cc1cccc(C2(C(=O)N(C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)CCCCC2)c1 ZINC000601476823 859288590 /nfs/dbraw/zinc/28/85/90/859288590.db2.gz KZWKEGBYDYTLCH-QHCPKHFHSA-N 2 1 397.607 3.824 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000466728088 859334338 /nfs/dbraw/zinc/33/43/38/859334338.db2.gz RLISGSAPUQNKHH-UHFFFAOYSA-N 2 1 375.488 3.804 20 0 GHADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483470067 859383210 /nfs/dbraw/zinc/38/32/10/859383210.db2.gz FTEYNLXOZCYAIE-OAQYLSRUSA-N 2 1 393.575 3.925 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494271149 881424658 /nfs/dbraw/zinc/42/46/58/881424658.db2.gz NTHDTOXEHQCQMJ-HNNXBMFYSA-N 2 1 391.466 3.589 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494271149 881424665 /nfs/dbraw/zinc/42/46/65/881424665.db2.gz NTHDTOXEHQCQMJ-HNNXBMFYSA-N 2 1 391.466 3.589 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000509445295 859459528 /nfs/dbraw/zinc/45/95/28/859459528.db2.gz BMUAYVQAIZJIKK-JOCHJYFZSA-N 2 1 375.520 3.658 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000509445295 859459532 /nfs/dbraw/zinc/45/95/32/859459532.db2.gz BMUAYVQAIZJIKK-JOCHJYFZSA-N 2 1 375.520 3.658 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3scnc3C3CC3)C2)ccn1 ZINC000856558498 881424401 /nfs/dbraw/zinc/42/44/01/881424401.db2.gz IGHGGVNMDMCLBA-LJQANCHMSA-N 2 1 386.565 3.909 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3scnc3C3CC3)C2)ccn1 ZINC000856558498 881424415 /nfs/dbraw/zinc/42/44/15/881424415.db2.gz IGHGGVNMDMCLBA-LJQANCHMSA-N 2 1 386.565 3.909 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3scnc3C3CC3)C2)ccn1 ZINC000856558498 881424427 /nfs/dbraw/zinc/42/44/27/881424427.db2.gz IGHGGVNMDMCLBA-LJQANCHMSA-N 2 1 386.565 3.909 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000114177700 859471651 /nfs/dbraw/zinc/47/16/51/859471651.db2.gz ZTEONVNYZXXYQS-UHFFFAOYSA-N 2 1 386.565 3.893 20 0 GHADMP C[N@H+](CC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608489 859484101 /nfs/dbraw/zinc/48/41/01/859484101.db2.gz RGHHAEATTKFINE-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@@H+](CC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608489 859484105 /nfs/dbraw/zinc/48/41/05/859484105.db2.gz RGHHAEATTKFINE-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608489 859484113 /nfs/dbraw/zinc/48/41/13/859484113.db2.gz RGHHAEATTKFINE-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP C[NH+](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)Cc1ccccc1 ZINC000483608489 859484121 /nfs/dbraw/zinc/48/41/21/859484121.db2.gz RGHHAEATTKFINE-RPWUZVMVSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc(C)c1O ZINC000856558944 881432155 /nfs/dbraw/zinc/43/21/55/881432155.db2.gz LXBJIEFKEMFIDE-QFIPXVFZSA-N 2 1 383.536 3.898 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(C)c1O ZINC000856558944 881432163 /nfs/dbraw/zinc/43/21/63/881432163.db2.gz LXBJIEFKEMFIDE-QFIPXVFZSA-N 2 1 383.536 3.898 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc(C)c1O ZINC000856558944 881432165 /nfs/dbraw/zinc/43/21/65/881432165.db2.gz LXBJIEFKEMFIDE-QFIPXVFZSA-N 2 1 383.536 3.898 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1C ZINC000483725693 859562177 /nfs/dbraw/zinc/56/21/77/859562177.db2.gz NKRDVNNNNCMCOF-SIKLNZKXSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1cc(Br)cn2c(C[NH+]3CCC(CC[NH+](C)C)CC3)cnc12 ZINC000543398340 859564028 /nfs/dbraw/zinc/56/40/28/859564028.db2.gz SPYARKPTJCSEEE-UHFFFAOYSA-N 2 1 379.346 3.569 20 0 GHADMP COc1cc(C)ccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856560046 881440779 /nfs/dbraw/zinc/44/07/79/881440779.db2.gz UTNLHOOFFIVLDU-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856560046 881440782 /nfs/dbraw/zinc/44/07/82/881440782.db2.gz UTNLHOOFFIVLDU-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856560046 881440788 /nfs/dbraw/zinc/44/07/88/881440788.db2.gz UTNLHOOFFIVLDU-JOCHJYFZSA-N 2 1 383.536 3.892 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cnc1Cl ZINC000856559327 881438482 /nfs/dbraw/zinc/43/84/82/881438482.db2.gz FNTCMMNLGGADTG-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cnc1Cl ZINC000856559327 881438488 /nfs/dbraw/zinc/43/84/88/881438488.db2.gz FNTCMMNLGGADTG-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cnc1Cl ZINC000856559327 881438494 /nfs/dbraw/zinc/43/84/94/881438494.db2.gz FNTCMMNLGGADTG-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cnc1Cl ZINC000856559327 881438502 /nfs/dbraw/zinc/43/85/02/881438502.db2.gz FNTCMMNLGGADTG-HXUWFJFHSA-N 2 1 388.943 3.932 20 0 GHADMP COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000668276533 859666232 /nfs/dbraw/zinc/66/62/32/859666232.db2.gz PNOXZBVYBJALOW-CKUXNOBLSA-N 2 1 382.548 3.578 20 0 GHADMP Cc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000483970357 859732490 /nfs/dbraw/zinc/73/24/90/859732490.db2.gz CJWYSZSEVWBJPR-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000483970357 859732496 /nfs/dbraw/zinc/73/24/96/859732496.db2.gz CJWYSZSEVWBJPR-HXUWFJFHSA-N 2 1 391.559 3.522 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc2c(c1)CCO2 ZINC000765010711 859735712 /nfs/dbraw/zinc/73/57/12/859735712.db2.gz QTYNQMZCYMDXSP-XMMPIXPASA-N 2 1 393.575 4.000 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000543449302 859752404 /nfs/dbraw/zinc/75/24/04/859752404.db2.gz DNZFQYGIUPBVKK-LJQANCHMSA-N 2 1 382.976 3.832 20 0 GHADMP COCc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561914 881464082 /nfs/dbraw/zinc/46/40/82/881464082.db2.gz XIUJTLTVSOBFFK-HSZRJFAPSA-N 2 1 383.536 3.722 20 0 GHADMP COCc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856561914 881464174 /nfs/dbraw/zinc/46/41/74/881464174.db2.gz XIUJTLTVSOBFFK-HSZRJFAPSA-N 2 1 383.536 3.722 20 0 GHADMP COCc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856561914 881464181 /nfs/dbraw/zinc/46/41/81/881464181.db2.gz XIUJTLTVSOBFFK-HSZRJFAPSA-N 2 1 383.536 3.722 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCOC3=O)c2)cc1 ZINC000765266304 859883658 /nfs/dbraw/zinc/88/36/58/859883658.db2.gz GKZSKSBNLLHLLT-MRXNPFEDSA-N 2 1 376.460 3.988 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccc(F)cc4)CCC3)CC2)CC1 ZINC000654602884 859887787 /nfs/dbraw/zinc/88/77/87/859887787.db2.gz XKLCZTWMWIJRHE-UHFFFAOYSA-N 2 1 387.543 3.517 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(-c3ccccc3F)s1)C2 ZINC000922391433 859889545 /nfs/dbraw/zinc/88/95/45/859889545.db2.gz WHYAVQXYYWHMHH-WERVVEIQSA-N 2 1 389.540 3.519 20 0 GHADMP COc1ccc([C@@H](CCO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000120279953 881494384 /nfs/dbraw/zinc/49/43/84/881494384.db2.gz CCCRVUCCBMDRTK-HSZRJFAPSA-N 2 1 386.511 3.555 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000765523716 860069151 /nfs/dbraw/zinc/06/91/51/860069151.db2.gz AWPXYCCURHADBY-YYDVJCTNSA-N 2 1 384.568 3.968 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)[C@@H](C)C1 ZINC000765523716 860069204 /nfs/dbraw/zinc/06/92/04/860069204.db2.gz AWPXYCCURHADBY-YYDVJCTNSA-N 2 1 384.568 3.968 20 0 GHADMP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000474468069 860149436 /nfs/dbraw/zinc/14/94/36/860149436.db2.gz HBIFMOXQCHIVQE-UXHICEINSA-N 2 1 381.564 3.724 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000428884302 860193414 /nfs/dbraw/zinc/19/34/14/860193414.db2.gz FDRXFMRNNAZFBP-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000428884302 860193422 /nfs/dbraw/zinc/19/34/22/860193422.db2.gz FDRXFMRNNAZFBP-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1Cc1ccccc1 ZINC000428884302 860193440 /nfs/dbraw/zinc/19/34/40/860193440.db2.gz FDRXFMRNNAZFBP-WTIAFYNJSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccnn1-c1ccccc1 ZINC000281106768 860200403 /nfs/dbraw/zinc/20/04/03/860200403.db2.gz BZXLIYCAVKWHAI-IBGZPJMESA-N 2 1 376.504 3.555 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000533821132 860238819 /nfs/dbraw/zinc/23/88/19/860238819.db2.gz XKTHWRDTHHDCFK-FDDCHVKYSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000533821132 860238830 /nfs/dbraw/zinc/23/88/30/860238830.db2.gz XKTHWRDTHHDCFK-FDDCHVKYSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000533821137 860239129 /nfs/dbraw/zinc/23/91/29/860239129.db2.gz XKTHWRDTHHDCFK-WZONZLPQSA-N 2 1 392.547 3.698 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000533821137 860239136 /nfs/dbraw/zinc/23/91/36/860239136.db2.gz XKTHWRDTHHDCFK-WZONZLPQSA-N 2 1 392.547 3.698 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000534530381 860246607 /nfs/dbraw/zinc/24/66/07/860246607.db2.gz CGPAUQUXDHBOGQ-QFIPXVFZSA-N 2 1 380.536 3.514 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000534530381 860246612 /nfs/dbraw/zinc/24/66/12/860246612.db2.gz CGPAUQUXDHBOGQ-QFIPXVFZSA-N 2 1 380.536 3.514 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000534559082 860249783 /nfs/dbraw/zinc/24/97/83/860249783.db2.gz FKIHEFCXGXAKFG-UWJYYQICSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000534559082 860249791 /nfs/dbraw/zinc/24/97/91/860249791.db2.gz FKIHEFCXGXAKFG-UWJYYQICSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000534559080 860250140 /nfs/dbraw/zinc/25/01/40/860250140.db2.gz FKIHEFCXGXAKFG-LAUBAEHRSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000534559080 860250141 /nfs/dbraw/zinc/25/01/41/860250141.db2.gz FKIHEFCXGXAKFG-LAUBAEHRSA-N 2 1 380.536 3.602 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474562202 860353471 /nfs/dbraw/zinc/35/34/71/860353471.db2.gz SAZMJBTVEXLBSF-GMQQQROESA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474562202 860353477 /nfs/dbraw/zinc/35/34/77/860353477.db2.gz SAZMJBTVEXLBSF-GMQQQROESA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474562202 860353481 /nfs/dbraw/zinc/35/34/81/860353481.db2.gz SAZMJBTVEXLBSF-GMQQQROESA-N 2 1 387.543 3.654 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474562202 860353487 /nfs/dbraw/zinc/35/34/87/860353487.db2.gz SAZMJBTVEXLBSF-GMQQQROESA-N 2 1 387.543 3.654 20 0 GHADMP CCN(C(=O)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000499998844 860440159 /nfs/dbraw/zinc/44/01/59/860440159.db2.gz BVPIIIUBHVHMAQ-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000499998844 860440165 /nfs/dbraw/zinc/44/01/65/860440165.db2.gz BVPIIIUBHVHMAQ-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000499998844 860440173 /nfs/dbraw/zinc/44/01/73/860440173.db2.gz BVPIIIUBHVHMAQ-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP CCN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000499998844 860440178 /nfs/dbraw/zinc/44/01/78/860440178.db2.gz BVPIIIUBHVHMAQ-OFNKIYASSA-N 2 1 379.548 3.802 20 0 GHADMP C[C@@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)cc(Cl)c1F ZINC000922670899 860449152 /nfs/dbraw/zinc/44/91/52/860449152.db2.gz ZZRIPEHTUQHGRW-GFCCVEGCSA-N 2 1 398.313 3.525 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n2c1CCCC2 ZINC000598631017 860459149 /nfs/dbraw/zinc/45/91/49/860459149.db2.gz NLHLGGHROYCYES-UHFFFAOYSA-N 2 1 383.536 3.741 20 0 GHADMP Cn1c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccc(Cl)cc21 ZINC000904474126 860466414 /nfs/dbraw/zinc/46/64/14/860466414.db2.gz JLJSYSWSCPVILP-UTKZUKDTSA-N 2 1 382.895 3.572 20 0 GHADMP [NH3+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000904647158 860542650 /nfs/dbraw/zinc/54/26/50/860542650.db2.gz BHNNOVICYJYJPS-RBBKRZOGSA-N 2 1 378.520 3.664 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000474702815 860650238 /nfs/dbraw/zinc/65/02/38/860650238.db2.gz SWZPIVHAWKUEDG-QFIPXVFZSA-N 2 1 399.510 3.759 20 0 GHADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000474702815 860650246 /nfs/dbraw/zinc/65/02/46/860650246.db2.gz SWZPIVHAWKUEDG-QFIPXVFZSA-N 2 1 399.510 3.759 20 0 GHADMP Cc1ccccc1OCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597515 881573151 /nfs/dbraw/zinc/57/31/51/881573151.db2.gz ITIWUASURUWGKG-QFIPXVFZSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccccc1OCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597515 881573163 /nfs/dbraw/zinc/57/31/63/881573163.db2.gz ITIWUASURUWGKG-QFIPXVFZSA-N 2 1 383.536 3.762 20 0 GHADMP Cc1ccccc1OCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597515 881573176 /nfs/dbraw/zinc/57/31/76/881573176.db2.gz ITIWUASURUWGKG-QFIPXVFZSA-N 2 1 383.536 3.762 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600305 881575549 /nfs/dbraw/zinc/57/55/49/881575549.db2.gz SSOIATCAGUYNAX-HSZRJFAPSA-N 2 1 382.552 3.511 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600305 881575560 /nfs/dbraw/zinc/57/55/60/881575560.db2.gz SSOIATCAGUYNAX-HSZRJFAPSA-N 2 1 382.552 3.511 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCN(C)c3ccccc3)C2)ccn1 ZINC000856600305 881575569 /nfs/dbraw/zinc/57/55/69/881575569.db2.gz SSOIATCAGUYNAX-HSZRJFAPSA-N 2 1 382.552 3.511 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489791047 860753203 /nfs/dbraw/zinc/75/32/03/860753203.db2.gz YOKNTWLNDVJKNN-STZQEDGTSA-N 2 1 386.584 3.733 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000474823997 860856479 /nfs/dbraw/zinc/85/64/79/860856479.db2.gz XSLBCYPNSRUQMG-KEYYUXOJSA-N 2 1 386.321 3.685 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000474823997 860856492 /nfs/dbraw/zinc/85/64/92/860856492.db2.gz XSLBCYPNSRUQMG-KEYYUXOJSA-N 2 1 386.321 3.685 20 0 GHADMP C[C@@H]1CN([C@@H](C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2c(F)cccc2Cl)CCO1 ZINC000623358230 860916190 /nfs/dbraw/zinc/91/61/90/860916190.db2.gz UQPGOHRHBGDCEX-MDZRGWNJSA-N 2 1 397.966 3.703 20 0 GHADMP C[C@@H]1CN([C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2c(F)cccc2Cl)CCO1 ZINC000623358230 860916204 /nfs/dbraw/zinc/91/62/04/860916204.db2.gz UQPGOHRHBGDCEX-MDZRGWNJSA-N 2 1 397.966 3.703 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000555461144 860950320 /nfs/dbraw/zinc/95/03/20/860950320.db2.gz QWYGLELUUCXVTA-XLIONFOSSA-N 2 1 386.515 3.659 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000555461144 860950328 /nfs/dbraw/zinc/95/03/28/860950328.db2.gz QWYGLELUUCXVTA-XLIONFOSSA-N 2 1 386.515 3.659 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1(C)C ZINC000623386058 860971677 /nfs/dbraw/zinc/97/16/77/860971677.db2.gz IQFSFUGKIFLEHV-FQEVSTJZSA-N 2 1 375.520 3.897 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1(C)C ZINC000623386058 860971687 /nfs/dbraw/zinc/97/16/87/860971687.db2.gz IQFSFUGKIFLEHV-FQEVSTJZSA-N 2 1 375.520 3.897 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1(C)C ZINC000623394752 860993951 /nfs/dbraw/zinc/99/39/51/860993951.db2.gz QQLCAZYGPOZUJG-GOSISDBHSA-N 2 1 395.385 3.960 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000481321418 861037850 /nfs/dbraw/zinc/03/78/50/861037850.db2.gz OTZMXNNJMITKFD-SQJMNOBHSA-N 2 1 393.575 3.519 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000481312868 861045785 /nfs/dbraw/zinc/04/57/85/861045785.db2.gz RPVYMTBYHWVQHP-RXVVDRJESA-N 2 1 375.557 3.630 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@@H](C)C1 ZINC000481312868 861045800 /nfs/dbraw/zinc/04/58/00/861045800.db2.gz RPVYMTBYHWVQHP-RXVVDRJESA-N 2 1 375.557 3.630 20 0 GHADMP Cc1c[nH+]cn1CC(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000625178844 861092749 /nfs/dbraw/zinc/09/27/49/861092749.db2.gz GQSFVBIJBQROSR-UHFFFAOYSA-N 2 1 390.531 3.761 20 0 GHADMP C[N@@H+](CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477528 863187344 /nfs/dbraw/zinc/18/73/44/863187344.db2.gz LZVIOLJKBMROIV-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477528 863187350 /nfs/dbraw/zinc/18/73/50/863187350.db2.gz LZVIOLJKBMROIV-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCCC1 ZINC000482477528 863187361 /nfs/dbraw/zinc/18/73/61/863187361.db2.gz LZVIOLJKBMROIV-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000282587004 863246117 /nfs/dbraw/zinc/24/61/17/863246117.db2.gz GNASYXRGDRAOSD-UHFFFAOYSA-N 2 1 389.547 3.681 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000428335466 863769274 /nfs/dbraw/zinc/76/92/74/863769274.db2.gz XXRUJYPIKFADPO-HXUWFJFHSA-N 2 1 391.437 3.799 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)c2coc(C[NH3+])c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000444268243 863788580 /nfs/dbraw/zinc/78/85/80/863788580.db2.gz LQKAPVUYVMVQGP-KDOFPFPSSA-N 2 1 395.425 3.570 20 0 GHADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)ccc21 ZINC000455932610 863793070 /nfs/dbraw/zinc/79/30/70/863793070.db2.gz QBZRFXCKLUCYEW-VOQZNFBZSA-N 2 1 382.552 3.716 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCN([C@H](C)c4ccccc4)C3)CCCC2)CC1 ZINC000532295511 881706915 /nfs/dbraw/zinc/70/69/15/881706915.db2.gz IITQEEIUDHALNE-IRLDBZIGSA-N 2 1 385.596 3.835 20 0 GHADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@H](C)C1 ZINC000158707201 863923336 /nfs/dbraw/zinc/92/33/36/863923336.db2.gz RNCRJLKOECYHGG-AUSIDOKSSA-N 2 1 379.548 3.745 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccc(C)cc3)c2)[C@H](C)C1 ZINC000158707201 863923344 /nfs/dbraw/zinc/92/33/44/863923344.db2.gz RNCRJLKOECYHGG-AUSIDOKSSA-N 2 1 379.548 3.745 20 0 GHADMP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103142962 863932939 /nfs/dbraw/zinc/93/29/39/863932939.db2.gz IYYXKJDIMNXDQS-IBGZPJMESA-N 2 1 390.535 3.567 20 0 GHADMP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142962 863932948 /nfs/dbraw/zinc/93/29/48/863932948.db2.gz IYYXKJDIMNXDQS-IBGZPJMESA-N 2 1 390.535 3.567 20 0 GHADMP COc1cc2c(NC3CCN(c4cc(C)[nH+]c(C)n4)CC3)cc[nH+]c2cc1F ZINC000480053587 863947583 /nfs/dbraw/zinc/94/75/83/863947583.db2.gz GCLWVXPELXRHMW-UHFFFAOYSA-N 2 1 381.455 3.870 20 0 GHADMP Cc1csc2c1ncnc2N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000480070948 863995582 /nfs/dbraw/zinc/99/55/82/863995582.db2.gz JAPAHMXCBGGPKC-UHFFFAOYSA-N 2 1 387.597 3.632 20 0 GHADMP C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000667621071 864059524 /nfs/dbraw/zinc/05/95/24/864059524.db2.gz ZDSLPUBMJLIRFM-UPVQGACJSA-N 2 1 380.532 3.808 20 0 GHADMP C[NH+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000667621071 864059543 /nfs/dbraw/zinc/05/95/43/864059543.db2.gz ZDSLPUBMJLIRFM-UPVQGACJSA-N 2 1 380.532 3.808 20 0 GHADMP C[NH+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000667621071 864059559 /nfs/dbraw/zinc/05/95/59/864059559.db2.gz ZDSLPUBMJLIRFM-UPVQGACJSA-N 2 1 380.532 3.808 20 0 GHADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000494449565 881738117 /nfs/dbraw/zinc/73/81/17/881738117.db2.gz BUGFGVBECPYIQE-QAPCUYQASA-N 2 1 381.358 3.835 20 0 GHADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)CC2)[nH+]c1 ZINC000163451996 864517022 /nfs/dbraw/zinc/51/70/22/864517022.db2.gz XUJQPFSKVSTKBO-IBGZPJMESA-N 3 1 382.552 3.650 20 0 GHADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000163629649 864543868 /nfs/dbraw/zinc/54/38/68/864543868.db2.gz OMEIBDKENRHHRK-NRFANRHFSA-N 2 1 386.561 3.970 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164669495 864628663 /nfs/dbraw/zinc/62/86/63/864628663.db2.gz UUMHAMGUNSBQBQ-AWEZNQCLSA-N 2 1 378.904 3.641 20 0 GHADMP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000166013643 864708134 /nfs/dbraw/zinc/70/81/34/864708134.db2.gz UUCRUWAQFMMPPH-GBXCKJPGSA-N 2 1 380.532 3.776 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000166789472 864753381 /nfs/dbraw/zinc/75/33/81/864753381.db2.gz KWCJZLGZJDKMBV-UGKGYDQZSA-N 2 1 380.536 3.820 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)c1 ZINC000480577489 864901493 /nfs/dbraw/zinc/90/14/93/864901493.db2.gz FWGMRDDQFWBDOT-YKSBVNFPSA-N 2 1 381.564 3.690 20 0 GHADMP Cc1ccc2c(C[N@@H+]3CC[C@H](CN(C)Cc4cccnc4)C3)ccc(O)c2n1 ZINC000554841889 864998762 /nfs/dbraw/zinc/99/87/62/864998762.db2.gz OIPKGYVJGLIZRM-LJQANCHMSA-N 2 1 376.504 3.598 20 0 GHADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480679480 865101863 /nfs/dbraw/zinc/10/18/63/865101863.db2.gz VEDAZJDYULKSRW-HYVLGVRCSA-N 2 1 387.612 3.796 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000480726179 865179024 /nfs/dbraw/zinc/17/90/24/865179024.db2.gz HJRXGZYUHIHKLE-PXNSSMCTSA-N 2 1 377.598 3.902 20 0 GHADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc2c(c1)COC2 ZINC000480780203 865256774 /nfs/dbraw/zinc/25/67/74/865256774.db2.gz MUENGDORXWHYJV-NTKDMRAZSA-N 2 1 379.548 3.746 20 0 GHADMP Brc1ccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c2c1 ZINC000301293674 865267947 /nfs/dbraw/zinc/26/79/47/865267947.db2.gz WGCQHPYFOVBAOY-AWEZNQCLSA-N 2 1 390.325 3.910 20 0 GHADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000301393532 865333964 /nfs/dbraw/zinc/33/39/64/865333964.db2.gz JJDSEGPMMJYPJF-OAHLLOKOSA-N 2 1 390.325 3.546 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)[NH+]1CCc2sccc2C1 ZINC000856925704 881860888 /nfs/dbraw/zinc/86/08/88/881860888.db2.gz ZSGFZHIOTLFBDR-YLJYHZDGSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCc2sccc2C1 ZINC000856925704 881860902 /nfs/dbraw/zinc/86/09/02/881860902.db2.gz ZSGFZHIOTLFBDR-YLJYHZDGSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@@H+]1CCc2sccc2C1 ZINC000856925704 881860916 /nfs/dbraw/zinc/86/09/16/881860916.db2.gz ZSGFZHIOTLFBDR-YLJYHZDGSA-N 2 1 397.588 3.734 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1)[N@H+]1CCc2sccc2C1 ZINC000856925704 881860931 /nfs/dbraw/zinc/86/09/31/881860931.db2.gz ZSGFZHIOTLFBDR-YLJYHZDGSA-N 2 1 397.588 3.734 20 0 GHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000133012314 881865858 /nfs/dbraw/zinc/86/58/58/881865858.db2.gz YSPSRUTZMUYIRN-AUUYWEPGSA-N 2 1 383.458 3.568 20 0 GHADMP COCCc1ccc(OC[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000667767365 865460936 /nfs/dbraw/zinc/46/09/36/865460936.db2.gz FOOKJTYULOSENC-HXUWFJFHSA-N 2 1 382.548 3.897 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC[N@H+]1C ZINC000608620109 865538467 /nfs/dbraw/zinc/53/84/67/865538467.db2.gz NNZDTWNDYWSSMA-UWVAXJGDSA-N 2 1 392.975 3.601 20 0 GHADMP C[N@@H+](CCOCC(F)(F)C(F)(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482692 881882175 /nfs/dbraw/zinc/88/21/75/881882175.db2.gz DLUSYBODBRTLQA-MRXNPFEDSA-N 2 1 380.401 3.655 20 0 GHADMP C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189482692 881882193 /nfs/dbraw/zinc/88/21/93/881882193.db2.gz DLUSYBODBRTLQA-MRXNPFEDSA-N 2 1 380.401 3.655 20 0 GHADMP C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189482692 881882203 /nfs/dbraw/zinc/88/22/03/881882203.db2.gz DLUSYBODBRTLQA-MRXNPFEDSA-N 2 1 380.401 3.655 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000608685438 865554247 /nfs/dbraw/zinc/55/42/47/865554247.db2.gz SCHLSDWQHPDJQY-IFMALSPDSA-N 2 1 386.584 3.587 20 0 GHADMP O[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21)C[NH+]1CCCC1 ZINC000481050573 865744951 /nfs/dbraw/zinc/74/49/51/865744951.db2.gz OIYJPFBFMWSFJG-SJORKVTESA-N 2 1 391.968 3.887 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC000740877490 866060173 /nfs/dbraw/zinc/06/01/73/866060173.db2.gz RGALUESYXNIKHE-UHFFFAOYSA-N 2 1 386.536 3.924 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534085643 866105440 /nfs/dbraw/zinc/10/54/40/866105440.db2.gz LMDZSWAIIZQFPG-PMACEKPBSA-N 2 1 392.975 3.649 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000534085643 866105450 /nfs/dbraw/zinc/10/54/50/866105450.db2.gz LMDZSWAIIZQFPG-PMACEKPBSA-N 2 1 392.975 3.649 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534096805 866125087 /nfs/dbraw/zinc/12/50/87/866125087.db2.gz LBJVVJFFTAFQDZ-VQTJNVASSA-N 2 1 392.975 3.697 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000534096805 866125091 /nfs/dbraw/zinc/12/50/91/866125091.db2.gz LBJVVJFFTAFQDZ-VQTJNVASSA-N 2 1 392.975 3.697 20 0 GHADMP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456322690 866436469 /nfs/dbraw/zinc/43/64/69/866436469.db2.gz DQWXHCMLLPGYLO-OAQYLSRUSA-N 2 1 391.559 3.877 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000552904513 866467918 /nfs/dbraw/zinc/46/79/18/866467918.db2.gz JWFOJHFDMMVQSE-XMSQKQJNSA-N 2 1 383.511 3.588 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000552904513 866467930 /nfs/dbraw/zinc/46/79/30/866467930.db2.gz JWFOJHFDMMVQSE-XMSQKQJNSA-N 2 1 383.511 3.588 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000620192717 866527345 /nfs/dbraw/zinc/52/73/45/866527345.db2.gz SEHWVOBCYGKNHU-QHCPKHFHSA-N 2 1 391.559 3.780 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620194203 866534693 /nfs/dbraw/zinc/53/46/93/866534693.db2.gz SBGKLNKMBHJRAS-FQEVSTJZSA-N 2 1 397.588 3.842 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(OC)c1OC ZINC000631615928 866578843 /nfs/dbraw/zinc/57/88/43/866578843.db2.gz FEJCHYJGHRCPJN-RBBKRZOGSA-N 2 1 398.547 3.901 20 0 GHADMP C[N@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CCCCC1 ZINC000494584520 881991088 /nfs/dbraw/zinc/99/10/88/881991088.db2.gz VDSKLPWUAJVTJW-UHFFFAOYSA-N 2 1 391.466 3.589 20 0 GHADMP C[N@@H+](CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CCCCC1 ZINC000494584520 881991097 /nfs/dbraw/zinc/99/10/97/881991097.db2.gz VDSKLPWUAJVTJW-UHFFFAOYSA-N 2 1 391.466 3.589 20 0 GHADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000189739899 881992279 /nfs/dbraw/zinc/99/22/79/881992279.db2.gz TZDPEOVNZZDWBB-UHFFFAOYSA-N 2 1 395.950 3.683 20 0 GHADMP COc1cccc2c1OC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000180124923 866777788 /nfs/dbraw/zinc/77/77/88/866777788.db2.gz IHUSDZAPGUBJDG-NGQZJGFESA-N 2 1 378.516 3.784 20 0 GHADMP Cc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000444705326 867093332 /nfs/dbraw/zinc/09/33/32/867093332.db2.gz LRCHVNMBQOJCHL-NRFANRHFSA-N 2 1 393.575 3.905 20 0 GHADMP C[C@@H](CC(=O)N(C)C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367162466 867160762 /nfs/dbraw/zinc/16/07/62/867160762.db2.gz BOLJSQUVQNTUFG-QIOKEVSGSA-N 2 1 377.960 3.710 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534820678 867576880 /nfs/dbraw/zinc/57/68/80/867576880.db2.gz MIQWJCUKVMLOMA-VQTJNVASSA-N 2 1 392.975 3.506 20 0 GHADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000534820678 867576892 /nfs/dbraw/zinc/57/68/92/867576892.db2.gz MIQWJCUKVMLOMA-VQTJNVASSA-N 2 1 392.975 3.506 20 0 GHADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(N2CCOCC2)c1 ZINC000479461367 867802737 /nfs/dbraw/zinc/80/27/37/867802737.db2.gz BTPGTLIYLNYKDV-IFMALSPDSA-N 2 1 379.548 3.696 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000479554841 868041696 /nfs/dbraw/zinc/04/16/96/868041696.db2.gz NEVXOWZGDPSWDS-HMXCVIKNSA-N 2 1 378.605 3.545 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)CC2)[nH+]c1 ZINC000172124866 882171557 /nfs/dbraw/zinc/17/15/57/882171557.db2.gz UUAXUYYMNYNYBS-LEWJYISDSA-N 2 1 398.595 3.719 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)CC2)[nH+]c1 ZINC000172124866 882171563 /nfs/dbraw/zinc/17/15/63/882171563.db2.gz UUAXUYYMNYNYBS-LEWJYISDSA-N 2 1 398.595 3.719 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000553865676 868373091 /nfs/dbraw/zinc/37/30/91/868373091.db2.gz YVQBILRQPDBKSC-QUCCMNQESA-N 2 1 398.595 3.826 20 0 GHADMP C[C@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+](C2CCC2)C1 ZINC000553865676 868373108 /nfs/dbraw/zinc/37/31/08/868373108.db2.gz YVQBILRQPDBKSC-QUCCMNQESA-N 2 1 398.595 3.826 20 0 GHADMP C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156917920 868501065 /nfs/dbraw/zinc/50/10/65/868501065.db2.gz XQYJHRPAONGFCH-AVRDEDQJSA-N 2 1 397.538 3.634 20 0 GHADMP C[C@@H](CCc1ccccc1F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156921156 868502355 /nfs/dbraw/zinc/50/23/55/868502355.db2.gz QXKLLUWGWVJGIH-AVRDEDQJSA-N 2 1 397.538 3.634 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)[C@@H]1c1cccs1 ZINC000457611604 868538707 /nfs/dbraw/zinc/53/87/07/868538707.db2.gz VCPHUZZQCPDQQI-OXQOHEQNSA-N 2 1 375.582 3.512 20 0 GHADMP C[N@H+](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000157403062 868645341 /nfs/dbraw/zinc/64/53/41/868645341.db2.gz WPCNKQSWTKNQSY-UHFFFAOYSA-N 2 1 377.960 3.799 20 0 GHADMP C[N@@H+](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000157403062 868645346 /nfs/dbraw/zinc/64/53/46/868645346.db2.gz WPCNKQSWTKNQSY-UHFFFAOYSA-N 2 1 377.960 3.799 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000157673107 868729348 /nfs/dbraw/zinc/72/93/48/868729348.db2.gz FRGKQOXPFXRQJD-OALUTQOASA-N 2 1 390.535 3.888 20 0 GHADMP COc1cc2c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000479932768 868746935 /nfs/dbraw/zinc/74/69/35/868746935.db2.gz QOLAOLJNKVYFQX-OAQYLSRUSA-N 2 1 381.451 3.868 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2)C1 ZINC000394567771 882256023 /nfs/dbraw/zinc/25/60/23/882256023.db2.gz LZEKQJRMKFEDEV-NSHDSACASA-N 2 1 376.136 3.643 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539825444 869833060 /nfs/dbraw/zinc/83/30/60/869833060.db2.gz SQZJAOMGTJFJOZ-URXFXBBRSA-N 2 1 393.575 3.723 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539825444 869833070 /nfs/dbraw/zinc/83/30/70/869833070.db2.gz SQZJAOMGTJFJOZ-URXFXBBRSA-N 2 1 393.575 3.723 20 0 GHADMP c1ncn(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](Cc3ccccc3)C4)cc2)n1 ZINC000539832345 869870712 /nfs/dbraw/zinc/87/07/12/869870712.db2.gz OWRWSWDMJZRIBN-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)cc2)n1 ZINC000539832345 869870720 /nfs/dbraw/zinc/87/07/20/869870720.db2.gz OWRWSWDMJZRIBN-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP c1ncn(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3)C4)cc2)n1 ZINC000539832345 869870727 /nfs/dbraw/zinc/87/07/27/869870727.db2.gz OWRWSWDMJZRIBN-XMMPIXPASA-N 2 1 387.531 3.755 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2)CC1 ZINC000539872366 869941542 /nfs/dbraw/zinc/94/15/42/869941542.db2.gz CBXJAXDTBSQZHE-FGZHOGPDSA-N 2 1 384.568 3.709 20 0 GHADMP CC(C)[NH+](CCC[NH2+]Cc1cc2ccccc2nc1N1CCOCC1)C(C)C ZINC000746053776 869980338 /nfs/dbraw/zinc/98/03/38/869980338.db2.gz RZMDESBRIHVGMQ-UHFFFAOYSA-N 2 1 384.568 3.670 20 0 GHADMP Cc1cc(C)cc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000462750915 870018524 /nfs/dbraw/zinc/01/85/24/870018524.db2.gz RXRYBVWRCWPWDC-QFIPXVFZSA-N 2 1 379.548 3.647 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)nc(C)[nH+]1 ZINC000462783995 870062951 /nfs/dbraw/zinc/06/29/51/870062951.db2.gz ZRCVQUCPYHKXAU-UHFFFAOYSA-N 2 1 396.535 3.807 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n(C)c1C ZINC000462793183 870091401 /nfs/dbraw/zinc/09/14/01/870091401.db2.gz QVYGXAHZDFCIIZ-KRWDZBQOSA-N 2 1 383.536 3.642 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000462798376 870114187 /nfs/dbraw/zinc/11/41/87/870114187.db2.gz KVFOYJBVPCYATB-TZRRMPRUSA-N 2 1 385.596 3.509 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CC[C@H]4C[NH+](Cc5ccccc5)C[C@H]43)c2)C1 ZINC000462852234 870203404 /nfs/dbraw/zinc/20/34/04/870203404.db2.gz DHVKOZNCUFGDOZ-KVZCNWPJSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)C1 ZINC000462852234 870203411 /nfs/dbraw/zinc/20/34/11/870203411.db2.gz DHVKOZNCUFGDOZ-KVZCNWPJSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)c2)C1 ZINC000462852234 870203424 /nfs/dbraw/zinc/20/34/24/870203424.db2.gz DHVKOZNCUFGDOZ-KVZCNWPJSA-N 2 1 391.559 3.576 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2)C1 ZINC000462878076 870278984 /nfs/dbraw/zinc/27/89/84/870278984.db2.gz QJGUPUVCVWRLNR-HSZRJFAPSA-N 2 1 399.966 3.983 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000248073018 870280793 /nfs/dbraw/zinc/28/07/93/870280793.db2.gz QRPMRPAAQVNZIG-JAXLGGSGSA-N 2 1 396.535 3.551 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(Cl)s1 ZINC000248124399 870292876 /nfs/dbraw/zinc/29/28/76/870292876.db2.gz NTJQACZLIAMLDA-WMLDXEAASA-N 2 1 391.968 3.950 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000540044258 870297589 /nfs/dbraw/zinc/29/75/89/870297589.db2.gz RWZIEJRHSDHKRH-UXHICEINSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248398653 870372206 /nfs/dbraw/zinc/37/22/06/870372206.db2.gz JBLWWUHDJYFIGU-UFYCRDLUSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248398653 870372233 /nfs/dbraw/zinc/37/22/33/870372233.db2.gz JBLWWUHDJYFIGU-UFYCRDLUSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248398653 870372255 /nfs/dbraw/zinc/37/22/55/870372255.db2.gz JBLWWUHDJYFIGU-UFYCRDLUSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1nc2c(s1)CCCC2 ZINC000248436365 870417754 /nfs/dbraw/zinc/41/77/54/870417754.db2.gz GGFINSIOUQBXPA-LPHOPBHVSA-N 2 1 385.577 3.829 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1nc2c(s1)CCCC2 ZINC000248436365 870417768 /nfs/dbraw/zinc/41/77/68/870417768.db2.gz GGFINSIOUQBXPA-LPHOPBHVSA-N 2 1 385.577 3.829 20 0 GHADMP COc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000538723175 870426751 /nfs/dbraw/zinc/42/67/51/870426751.db2.gz NNZDRYFOOOALFN-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000538724235 870432078 /nfs/dbraw/zinc/43/20/78/870432078.db2.gz YVOHIBASCORRPD-VGOFRKELSA-N 2 1 385.527 3.852 20 0 GHADMP Cc1c(F)cccc1-c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000538724235 870432087 /nfs/dbraw/zinc/43/20/87/870432087.db2.gz YVOHIBASCORRPD-VGOFRKELSA-N 2 1 385.527 3.852 20 0 GHADMP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCCO2 ZINC000248462159 870440416 /nfs/dbraw/zinc/44/04/16/870440416.db2.gz YAHADEGRSFLVOB-GGAORHGYSA-N 2 1 380.532 3.874 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560788 870494372 /nfs/dbraw/zinc/49/43/72/870494372.db2.gz JKCNOOMQBBEQSH-JZXOWHBKSA-N 2 1 393.522 3.727 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248560788 870494379 /nfs/dbraw/zinc/49/43/79/870494379.db2.gz JKCNOOMQBBEQSH-JZXOWHBKSA-N 2 1 393.522 3.727 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248560788 870494392 /nfs/dbraw/zinc/49/43/92/870494392.db2.gz JKCNOOMQBBEQSH-JZXOWHBKSA-N 2 1 393.522 3.727 20 0 GHADMP COC(=O)CC1([NH2+]C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CCC1 ZINC001192603259 870535524 /nfs/dbraw/zinc/53/55/24/870535524.db2.gz BSYOLYGXEIQAIA-QFIPXVFZSA-N 2 1 380.532 3.978 20 0 GHADMP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1cccc(Br)c1 ZINC000538796181 870624329 /nfs/dbraw/zinc/62/43/29/870624329.db2.gz TUKQDFWVMWCOJH-UTRMSSBJSA-N 2 1 381.358 3.736 20 0 GHADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1cccc(Br)c1 ZINC000538796181 870624333 /nfs/dbraw/zinc/62/43/33/870624333.db2.gz TUKQDFWVMWCOJH-UTRMSSBJSA-N 2 1 381.358 3.736 20 0 GHADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000525433081 870669707 /nfs/dbraw/zinc/66/97/07/870669707.db2.gz BJNZRASEXOPIAZ-XMMPIXPASA-N 2 1 391.559 3.606 20 0 GHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000525433081 870669714 /nfs/dbraw/zinc/66/97/14/870669714.db2.gz BJNZRASEXOPIAZ-XMMPIXPASA-N 2 1 391.559 3.606 20 0 GHADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000525433081 870669718 /nfs/dbraw/zinc/66/97/18/870669718.db2.gz BJNZRASEXOPIAZ-XMMPIXPASA-N 2 1 391.559 3.606 20 0 GHADMP O[C@@]1(CNCc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461018 870728857 /nfs/dbraw/zinc/72/88/57/870728857.db2.gz ZDZNIEYVMGBPDJ-HXUWFJFHSA-N 2 1 396.865 3.668 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000525461018 870728889 /nfs/dbraw/zinc/72/88/89/870728889.db2.gz ZDZNIEYVMGBPDJ-HXUWFJFHSA-N 2 1 396.865 3.668 20 0 GHADMP O[C@@]1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461018 870728904 /nfs/dbraw/zinc/72/89/04/870728904.db2.gz ZDZNIEYVMGBPDJ-HXUWFJFHSA-N 2 1 396.865 3.668 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1OCCO ZINC000463077989 870851304 /nfs/dbraw/zinc/85/13/04/870851304.db2.gz MWJXNPLWFXDVKP-DXIQSLLYSA-N 2 1 398.547 3.770 20 0 GHADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1OCCO ZINC000463077989 870851322 /nfs/dbraw/zinc/85/13/22/870851322.db2.gz MWJXNPLWFXDVKP-DXIQSLLYSA-N 2 1 398.547 3.770 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000249727778 870890859 /nfs/dbraw/zinc/89/08/59/870890859.db2.gz TYQZKFVPNLBMCA-RTBURBONSA-N 2 1 397.567 3.701 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000249727778 870890871 /nfs/dbraw/zinc/89/08/71/870890871.db2.gz TYQZKFVPNLBMCA-RTBURBONSA-N 2 1 397.567 3.701 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000463126125 870937331 /nfs/dbraw/zinc/93/73/31/870937331.db2.gz YHSNEVCHMBLGFQ-SCDRESIJSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000463126125 870937347 /nfs/dbraw/zinc/93/73/47/870937347.db2.gz YHSNEVCHMBLGFQ-SCDRESIJSA-N 2 1 387.612 3.766 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)C1 ZINC000463126125 870937353 /nfs/dbraw/zinc/93/73/53/870937353.db2.gz YHSNEVCHMBLGFQ-SCDRESIJSA-N 2 1 387.612 3.766 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2)CC1)CC1CC1 ZINC000538948238 870957828 /nfs/dbraw/zinc/95/78/28/870957828.db2.gz GONCWKWDXPXFRV-SFHVURJKSA-N 2 1 387.568 3.856 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+](Cn2c3c(sc2=O)C[C@H](C)CC3)CC1 ZINC000181459389 871039596 /nfs/dbraw/zinc/03/95/96/871039596.db2.gz PLBNYIRHTXOFEM-QGZVFWFLSA-N 2 1 379.614 3.826 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090522924 871145197 /nfs/dbraw/zinc/14/51/97/871145197.db2.gz SKENNKBAWHJUAI-OYRHEFFESA-N 2 1 375.626 3.800 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC1(c3ccccc3C(F)(F)F)CCOCC1)C2 ZINC001169117389 871203795 /nfs/dbraw/zinc/20/37/95/871203795.db2.gz ZWJNMOLLBOFKBT-BJWYYQGGSA-N 2 1 382.470 3.968 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001169119410 871210283 /nfs/dbraw/zinc/21/02/83/871210283.db2.gz SUYLTLVFFDUDSJ-REPLKXPHSA-N 2 1 381.486 3.666 20 0 GHADMP C[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H]1c1ccccc1 ZINC000463284179 871330121 /nfs/dbraw/zinc/33/01/21/871330121.db2.gz VFKDTSVCWVJRNT-BJKOFHAPSA-N 2 1 381.539 3.868 20 0 GHADMP CCN1CCC([NH+]2CCC3(CC[NH+](Cc4cccc(OC)c4)CC3)CC2)CC1 ZINC001169251472 871349008 /nfs/dbraw/zinc/34/90/08/871349008.db2.gz WOHNCOGWEXGMIX-UHFFFAOYSA-N 2 1 385.596 3.858 20 0 GHADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(Cl)c1 ZINC000447316311 871364315 /nfs/dbraw/zinc/36/43/15/871364315.db2.gz XNXAISHYEWRWKU-QZTJIDSGSA-N 2 1 380.960 3.739 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492353 871410654 /nfs/dbraw/zinc/41/06/54/871410654.db2.gz IVPVZJJOHYWRMQ-RBBKRZOGSA-N 2 1 385.596 3.932 20 0 GHADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492353 871410666 /nfs/dbraw/zinc/41/06/66/871410666.db2.gz IVPVZJJOHYWRMQ-RBBKRZOGSA-N 3 1 385.596 3.932 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000540492353 871410682 /nfs/dbraw/zinc/41/06/82/871410682.db2.gz IVPVZJJOHYWRMQ-RBBKRZOGSA-N 3 1 385.596 3.932 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462001144 871423358 /nfs/dbraw/zinc/42/33/58/871423358.db2.gz GSGCAIXCBBDAID-RZUBCFFCSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462001144 871423368 /nfs/dbraw/zinc/42/33/68/871423368.db2.gz GSGCAIXCBBDAID-RZUBCFFCSA-N 2 1 388.600 3.801 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462001144 871423377 /nfs/dbraw/zinc/42/33/77/871423377.db2.gz GSGCAIXCBBDAID-RZUBCFFCSA-N 2 1 388.600 3.801 20 0 GHADMP CCC[N@@H+](Cc1cc(I)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842800 871483741 /nfs/dbraw/zinc/48/37/41/871483741.db2.gz AKLHNQONRLAFKQ-LBPRGKRZSA-N 2 1 392.712 3.766 20 0 GHADMP CCC[N@H+](Cc1cc(I)ccc1Cl)C[C@H]1CC[NH2+]C1 ZINC001236842800 871483743 /nfs/dbraw/zinc/48/37/43/871483743.db2.gz AKLHNQONRLAFKQ-LBPRGKRZSA-N 2 1 392.712 3.766 20 0 GHADMP C[N@H+](CCc1c(F)cccc1Cl)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001194250672 871586946 /nfs/dbraw/zinc/58/69/46/871586946.db2.gz ISCTVPBUEBYLQR-UHFFFAOYSA-N 2 1 389.946 3.771 20 0 GHADMP [NH3+]C1(c2ccc(N[C@H]3C[C@H](C(=O)OCc4ccccc4)CCC[NH2+]3)cc2)CCC1 ZINC001169518803 871589920 /nfs/dbraw/zinc/58/99/20/871589920.db2.gz KNJWDZOJBUUYPG-KNQAVFIVSA-N 2 1 393.531 3.896 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1)[NH+](C)C ZINC000539319861 871682930 /nfs/dbraw/zinc/68/29/30/871682930.db2.gz JSPRRVGKIYJIBJ-VXKWHMMOSA-N 2 1 389.584 3.991 20 0 GHADMP Cc1cc(-n2cc(CC[NH3+])c3ncccc32)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001169700153 871784021 /nfs/dbraw/zinc/78/40/21/871784021.db2.gz IYCBFXWYHIPPPW-UHFFFAOYSA-N 2 1 397.526 3.788 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC1=CCCCC1 ZINC000092821421 871849117 /nfs/dbraw/zinc/84/91/17/871849117.db2.gz FTQMLSHRPYSZET-UHFFFAOYSA-N 2 1 384.568 3.627 20 0 GHADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821429 871850183 /nfs/dbraw/zinc/85/01/83/871850183.db2.gz XCBPVSNURWXLTQ-SLFFLAALSA-N 2 1 386.584 3.798 20 0 GHADMP C[N@@H+](C1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169765152 871853736 /nfs/dbraw/zinc/85/37/36/871853736.db2.gz TWFLNSNPJWOYJC-DEOSSOPVSA-N 2 1 391.559 3.888 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)c2cccs2)CC1 ZINC000552040291 871920474 /nfs/dbraw/zinc/92/04/74/871920474.db2.gz WERFABFWHDLQFQ-UYAOXDASSA-N 2 1 387.597 3.671 20 0 GHADMP Cc1cc(C)n2c(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cnc2n1 ZINC000552060012 871958082 /nfs/dbraw/zinc/95/80/82/871958082.db2.gz CYWVWSYFALPTTP-UHFFFAOYSA-N 2 1 389.547 3.834 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540721092 871999344 /nfs/dbraw/zinc/99/93/44/871999344.db2.gz FBYIDQAIQZSIPO-NIKGAXFTSA-N 2 1 398.954 3.642 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540721092 871999363 /nfs/dbraw/zinc/99/93/63/871999363.db2.gz FBYIDQAIQZSIPO-NIKGAXFTSA-N 2 1 398.954 3.642 20 0 GHADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(OC)c1O ZINC000552273563 872368223 /nfs/dbraw/zinc/36/82/23/872368223.db2.gz MFAPSAAUTZPDJJ-UHFFFAOYSA-N 2 1 396.531 3.898 20 0 GHADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000093770540 872409774 /nfs/dbraw/zinc/40/97/74/872409774.db2.gz LSNFKWNCBZOFPU-OAQYLSRUSA-N 2 1 392.547 3.995 20 0 GHADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000093770540 872409788 /nfs/dbraw/zinc/40/97/88/872409788.db2.gz LSNFKWNCBZOFPU-OAQYLSRUSA-N 2 1 392.547 3.995 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000093770540 872409801 /nfs/dbraw/zinc/40/98/01/872409801.db2.gz LSNFKWNCBZOFPU-OAQYLSRUSA-N 2 1 392.547 3.995 20 0 GHADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000093770540 872409814 /nfs/dbraw/zinc/40/98/14/872409814.db2.gz LSNFKWNCBZOFPU-OAQYLSRUSA-N 2 1 392.547 3.995 20 0 GHADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001195535382 872473469 /nfs/dbraw/zinc/47/34/69/872473469.db2.gz JARBULKXBMPHIB-UHFFFAOYSA-N 2 1 379.460 3.717 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)cc1)C1CC1 ZINC000552471952 872716211 /nfs/dbraw/zinc/71/62/11/872716211.db2.gz XQVPXJUWRPTBOK-QHCPKHFHSA-N 2 1 395.547 3.712 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2C)cc1 ZINC000541026781 872747366 /nfs/dbraw/zinc/74/73/66/872747366.db2.gz FWPJBGKCVYBQBF-OAHLLOKOSA-N 2 1 394.523 3.501 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1)CC1CC1 ZINC000478409898 872963008 /nfs/dbraw/zinc/96/30/08/872963008.db2.gz GOUCGOGELKWPBI-UHFFFAOYSA-N 2 1 392.632 3.652 20 0 GHADMP Cc1c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cnn1C(C)(C)C ZINC000527292443 872967136 /nfs/dbraw/zinc/96/71/36/872967136.db2.gz FKPCBSOEMWSSAX-VQIMIIECSA-N 2 1 389.613 3.647 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000478415479 872968979 /nfs/dbraw/zinc/96/89/79/872968979.db2.gz MUZWADPPADWZOP-RBUKOAKNSA-N 2 1 392.975 3.506 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000478415479 872968990 /nfs/dbraw/zinc/96/89/90/872968990.db2.gz MUZWADPPADWZOP-RBUKOAKNSA-N 2 1 392.975 3.506 20 0 GHADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)c(Br)c2)CC1 ZINC000219863474 882704859 /nfs/dbraw/zinc/70/48/59/882704859.db2.gz PQAKHZCGIKQMRM-SNVBAGLBSA-N 2 1 376.136 3.771 20 0 GHADMP COCC[N@@H+](CCCOc1cccc(C(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC001196783070 873356301 /nfs/dbraw/zinc/35/63/01/873356301.db2.gz WYKIZICMAXBROR-UHFFFAOYSA-N 2 1 388.474 3.765 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccsc3Br)cc2)CC1 ZINC000527656319 873450697 /nfs/dbraw/zinc/45/06/97/873450697.db2.gz YJYMEJHSEPRQFN-UHFFFAOYSA-N 2 1 395.366 3.757 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)c2cccs2)CC1 ZINC000448582164 873601382 /nfs/dbraw/zinc/60/13/82/873601382.db2.gz NAKINGMMAJXPCV-IBGZPJMESA-N 2 1 395.532 3.532 20 0 GHADMP C[C@H](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+]1CCCCC1 ZINC000541519943 873764981 /nfs/dbraw/zinc/76/49/81/873764981.db2.gz MSMRSEUBXBPTCB-NHCUHLMSSA-N 2 1 392.632 3.937 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc3ccc(OC)cc3s2)CC1 ZINC000475720173 882774911 /nfs/dbraw/zinc/77/49/11/882774911.db2.gz IWNINHYSKJOJQW-UHFFFAOYSA-N 2 1 377.554 3.628 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000528149924 874089227 /nfs/dbraw/zinc/08/92/27/874089227.db2.gz NWQPKJCICFGJJW-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000528149924 874089242 /nfs/dbraw/zinc/08/92/42/874089242.db2.gz NWQPKJCICFGJJW-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528149924 874089257 /nfs/dbraw/zinc/08/92/57/874089257.db2.gz NWQPKJCICFGJJW-JTHBVZDNSA-N 2 1 398.595 3.557 20 0 GHADMP COc1cncc(/C=C/CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001197911401 874129400 /nfs/dbraw/zinc/12/94/00/874129400.db2.gz MTZLAJCKGOCCKC-YTYRTEIYSA-N 2 1 377.532 3.947 20 0 GHADMP COc1cncc(/C=C/CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001197911401 874129405 /nfs/dbraw/zinc/12/94/05/874129405.db2.gz MTZLAJCKGOCCKC-YTYRTEIYSA-N 2 1 377.532 3.947 20 0 GHADMP COc1cncc(/C=C/CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001197911401 874129408 /nfs/dbraw/zinc/12/94/08/874129408.db2.gz MTZLAJCKGOCCKC-YTYRTEIYSA-N 2 1 377.532 3.947 20 0 GHADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000769677042 874227607 /nfs/dbraw/zinc/22/76/07/874227607.db2.gz DBGOLQZAFUSDJY-MSOLQXFVSA-N 2 1 375.557 3.932 20 0 GHADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000464777770 874474533 /nfs/dbraw/zinc/47/45/33/874474533.db2.gz PDQKWKJOVWDKCD-VQTJNVASSA-N 2 1 379.548 3.819 20 0 GHADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000541915582 874518641 /nfs/dbraw/zinc/51/86/41/874518641.db2.gz RMWMPXIQFXMXNR-KNQAVFIVSA-N 2 1 395.503 3.587 20 0 GHADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449174919 874552835 /nfs/dbraw/zinc/55/28/35/874552835.db2.gz IXVCUMKIRHJERJ-VNWDASSNSA-N 2 1 376.610 3.751 20 0 GHADMP C[C@@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000508878258 874597657 /nfs/dbraw/zinc/59/76/57/874597657.db2.gz JVPUMDRBPOANCR-BWKNWUBXSA-N 2 1 377.576 3.776 20 0 GHADMP C[N@H+](Cc1ccc2c(c1)OCCCCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449241356 874646072 /nfs/dbraw/zinc/64/60/72/874646072.db2.gz SGPQUWLVINGKQC-UHFFFAOYSA-N 2 1 381.520 3.981 20 0 GHADMP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccco2)C1 ZINC000464858447 874657711 /nfs/dbraw/zinc/65/77/11/874657711.db2.gz WJPPXJNEYGJZPY-DENIHFKCSA-N 2 1 395.547 3.965 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccco2)C1 ZINC000464858447 874657715 /nfs/dbraw/zinc/65/77/15/874657715.db2.gz WJPPXJNEYGJZPY-DENIHFKCSA-N 2 1 395.547 3.965 20 0 GHADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000449295986 874683788 /nfs/dbraw/zinc/68/37/88/874683788.db2.gz WQQQOVYMFSOSDK-VQTJNVASSA-N 2 1 391.559 3.603 20 0 GHADMP CC1(C)C[N@@H+](Cc2cnc3cnccn23)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000449413586 874804827 /nfs/dbraw/zinc/80/48/27/874804827.db2.gz JKSUYTDREQJCKQ-QHCPKHFHSA-N 2 1 389.547 3.852 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)C1 ZINC001129486936 882882939 /nfs/dbraw/zinc/88/29/39/882882939.db2.gz RCPLRTCJRHUIRJ-NZQKXSOJSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001129486936 882882957 /nfs/dbraw/zinc/88/29/57/882882957.db2.gz RCPLRTCJRHUIRJ-NZQKXSOJSA-N 2 1 389.559 3.617 20 0 GHADMP CC(C)(C)[NH+]1CC[C@](F)(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001129486936 882882976 /nfs/dbraw/zinc/88/29/76/882882976.db2.gz RCPLRTCJRHUIRJ-NZQKXSOJSA-N 2 1 389.559 3.617 20 0 GHADMP CC[C@H](Cn1cncn1)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000550932931 882883158 /nfs/dbraw/zinc/88/31/58/882883158.db2.gz YEEUIGAHPUUIRD-HOPUUNBDSA-N 2 1 387.959 3.914 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561431 875050586 /nfs/dbraw/zinc/05/05/86/875050586.db2.gz UWWHFWIGXHQUSZ-TZUVLKIQSA-N 2 1 398.332 3.827 20 0 GHADMP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[N@@H+]1CCc2ccccc2C1 ZINC000465134606 875184659 /nfs/dbraw/zinc/18/46/59/875184659.db2.gz BPEXQVNZCYHGMY-GOSISDBHSA-N 2 1 390.531 3.588 20 0 GHADMP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[N@H+]1CCc2ccccc2C1 ZINC000465134606 875184668 /nfs/dbraw/zinc/18/46/68/875184668.db2.gz BPEXQVNZCYHGMY-GOSISDBHSA-N 2 1 390.531 3.588 20 0 GHADMP C[N@H+]1CC[C@@H](NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)CC1(C)C ZINC000858185025 882918629 /nfs/dbraw/zinc/91/86/29/882918629.db2.gz ZIMRWYSCOGQMAC-QGZVFWFLSA-N 2 1 379.520 3.813 20 0 GHADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000192482083 882928708 /nfs/dbraw/zinc/92/87/08/882928708.db2.gz WGBREIDPRVRTDN-UHFFFAOYSA-N 2 1 381.289 3.818 20 0 GHADMP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001201487757 875717061 /nfs/dbraw/zinc/71/70/61/875717061.db2.gz TXDJFAZKHUPRIO-MALNDZBISA-N 2 1 385.600 3.835 20 0 GHADMP CC(C)=CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001201487757 875717066 /nfs/dbraw/zinc/71/70/66/875717066.db2.gz TXDJFAZKHUPRIO-MALNDZBISA-N 2 1 385.600 3.835 20 0 GHADMP CC(C)=CCC[C@H](C)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001201487757 875717071 /nfs/dbraw/zinc/71/70/71/875717071.db2.gz TXDJFAZKHUPRIO-MALNDZBISA-N 2 1 385.600 3.835 20 0 GHADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000303564006 875809057 /nfs/dbraw/zinc/80/90/57/875809057.db2.gz XNQADHJZKOXFSC-XMMPIXPASA-N 2 1 395.547 3.786 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@H](C)O1 ZINC000491910707 876021728 /nfs/dbraw/zinc/02/17/28/876021728.db2.gz IUNLTIBEFVDCQK-HLSZOSTASA-N 2 1 384.564 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cccc2C1 ZINC000850034650 876619072 /nfs/dbraw/zinc/61/90/72/876619072.db2.gz KGKUWAIYPUXNQE-PMACEKPBSA-N 2 1 385.552 3.696 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2C1 ZINC000850035683 876620089 /nfs/dbraw/zinc/62/00/89/876620089.db2.gz ZVXXAXPYAYCJIT-NHCUHLMSSA-N 2 1 385.552 3.696 20 0 GHADMP CCOc1c(OC)cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000192934306 883049750 /nfs/dbraw/zinc/04/97/50/883049750.db2.gz NDGJKGVVEWNVJO-IBGZPJMESA-N 2 1 384.520 3.714 20 0 GHADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192935316 883051704 /nfs/dbraw/zinc/05/17/04/883051704.db2.gz MYEXFAARJHPJSY-QUCCMNQESA-N 2 1 381.520 3.524 20 0 GHADMP O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786421408 876683931 /nfs/dbraw/zinc/68/39/31/876683931.db2.gz VZUDKHARUMTSJG-KRWDZBQOSA-N 2 1 398.413 3.636 20 0 GHADMP O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786421408 876683935 /nfs/dbraw/zinc/68/39/35/876683935.db2.gz VZUDKHARUMTSJG-KRWDZBQOSA-N 2 1 398.413 3.636 20 0 GHADMP c1sc(Cc2ccccc2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173963018 876748519 /nfs/dbraw/zinc/74/85/19/876748519.db2.gz HNLPWNDMQDQGKH-UHFFFAOYSA-N 2 1 385.577 3.811 20 0 GHADMP CCc1cc(N2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c2ccccc2[nH+]1 ZINC000450779404 876915712 /nfs/dbraw/zinc/91/57/12/876915712.db2.gz WINLKKWKIAAWPI-FQEVSTJZSA-N 2 1 394.563 3.568 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850434238 876918167 /nfs/dbraw/zinc/91/81/67/876918167.db2.gz VRSUJKFWNWJIHU-VHDGCEQUSA-N 2 1 376.850 3.743 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850434238 876918173 /nfs/dbraw/zinc/91/81/73/876918173.db2.gz VRSUJKFWNWJIHU-VHDGCEQUSA-N 2 1 376.850 3.743 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000850438795 876921744 /nfs/dbraw/zinc/92/17/44/876921744.db2.gz WWBYJMUYWNXHKU-BOMAWHNGSA-N 2 1 379.570 3.778 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000850438795 876921751 /nfs/dbraw/zinc/92/17/51/876921751.db2.gz WWBYJMUYWNXHKU-BOMAWHNGSA-N 2 1 379.570 3.778 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000850438805 876921990 /nfs/dbraw/zinc/92/19/90/876921990.db2.gz WWBYJMUYWNXHKU-LOTPSLMQSA-N 2 1 379.570 3.778 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000850438805 876921997 /nfs/dbraw/zinc/92/19/97/876921997.db2.gz WWBYJMUYWNXHKU-LOTPSLMQSA-N 2 1 379.570 3.778 20 0 GHADMP C[NH+](CC[C@@H]1CCCO1)Cc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)ccc1F ZINC000450821450 876957046 /nfs/dbraw/zinc/95/70/46/876957046.db2.gz RCOSDBVFIOEYDU-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP C[NH+](CC[C@@H]1CCCO1)Cc1ccc(F)c(C[N@H+](C)CC[C@@H]2CCCO2)c1 ZINC000450821450 876957052 /nfs/dbraw/zinc/95/70/52/876957052.db2.gz RCOSDBVFIOEYDU-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP C[NH+](CC[C@@H]1CCCO1)Cc1ccc(F)c(C[N@@H+](C)CC[C@@H]2CCCO2)c1 ZINC000450821450 876957062 /nfs/dbraw/zinc/95/70/62/876957062.db2.gz RCOSDBVFIOEYDU-SFTDATJTSA-N 2 1 378.532 3.828 20 0 GHADMP O=C(OCc1ccccc1)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000786968873 877056658 /nfs/dbraw/zinc/05/66/58/877056658.db2.gz TZITUEUTOJVSLP-DNVJHFABSA-N 2 1 378.516 3.730 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cc(F)cc(Cl)c1 ZINC000787024674 877100404 /nfs/dbraw/zinc/10/04/04/877100404.db2.gz IFDUGHRKNOBAIP-OAQYLSRUSA-N 2 1 376.903 3.809 20 0 GHADMP c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000642630848 912229429 /nfs/dbraw/zinc/22/94/29/912229429.db2.gz NJHGWEVVGPZCHZ-XZOQPEGZSA-N 2 1 387.531 3.710 20 0 GHADMP c1c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000642630848 912229442 /nfs/dbraw/zinc/22/94/42/912229442.db2.gz NJHGWEVVGPZCHZ-XZOQPEGZSA-N 2 1 387.531 3.710 20 0 GHADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1C ZINC000121624062 877483297 /nfs/dbraw/zinc/48/32/97/877483297.db2.gz ALNBNCRXCGXCJT-IBGZPJMESA-N 2 1 398.551 3.991 20 0 GHADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000263308719 877631782 /nfs/dbraw/zinc/63/17/82/877631782.db2.gz YFVMOXDWQUICBV-AZUAARDMSA-N 2 1 397.485 3.694 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000551777962 877792977 /nfs/dbraw/zinc/79/29/77/877792977.db2.gz XSLIAXXMPZVCFL-JLEAQPBLSA-N 2 1 380.532 3.544 20 0 GHADMP C[N@@H+](C[C@H](O)CC1CCCC1)[C@H]1CCC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000530494707 877906730 /nfs/dbraw/zinc/90/67/30/877906730.db2.gz IVTZKOIPUNFUTG-ZRBLBEILSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)CC1CCCC1)[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)CC1 ZINC000530494707 877906742 /nfs/dbraw/zinc/90/67/42/877906742.db2.gz IVTZKOIPUNFUTG-ZRBLBEILSA-N 2 1 380.617 3.655 20 0 GHADMP C[NH+](C[C@H](O)CC1CCCC1)[C@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)CC1 ZINC000530494707 877906752 /nfs/dbraw/zinc/90/67/52/877906752.db2.gz IVTZKOIPUNFUTG-ZRBLBEILSA-N 2 1 380.617 3.655 20 0 GHADMP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248637373 912297121 /nfs/dbraw/zinc/29/71/21/912297121.db2.gz ADWDFJNGNSCBBL-NJNPRVFISA-N 2 1 379.589 3.876 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000176027086 878043924 /nfs/dbraw/zinc/04/39/24/878043924.db2.gz QFKRXSWAHJNYQC-UHFFFAOYSA-N 2 1 397.567 3.847 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528002 878057238 /nfs/dbraw/zinc/05/72/38/878057238.db2.gz DZCNSRLHEFNBFM-UGKGYDQZSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528002 878057252 /nfs/dbraw/zinc/05/72/52/878057252.db2.gz DZCNSRLHEFNBFM-UGKGYDQZSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528002 878057265 /nfs/dbraw/zinc/05/72/65/878057265.db2.gz DZCNSRLHEFNBFM-UGKGYDQZSA-N 2 1 375.532 3.543 20 0 GHADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528002 878057278 /nfs/dbraw/zinc/05/72/78/878057278.db2.gz DZCNSRLHEFNBFM-UGKGYDQZSA-N 2 1 375.532 3.543 20 0 GHADMP COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000551971818 878075735 /nfs/dbraw/zinc/07/57/35/878075735.db2.gz WVNYBZGXPQQYOY-SIWPHUPXSA-N 2 1 399.604 3.876 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)C2)C1 ZINC000788586967 878187399 /nfs/dbraw/zinc/18/73/99/878187399.db2.gz HAHXKJSKDFMYIU-HXUWFJFHSA-N 2 1 399.579 3.540 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000245612404 878201628 /nfs/dbraw/zinc/20/16/28/878201628.db2.gz BZEHIXAWUKCRNC-DHIUTWEWSA-N 2 1 392.547 3.527 20 0 GHADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000788669648 878263131 /nfs/dbraw/zinc/26/31/31/878263131.db2.gz FOCJTSQIHKPCKR-ZCNNSNEGSA-N 2 1 381.605 3.980 20 0 GHADMP C[N@@H+](CCNC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000530689896 878294309 /nfs/dbraw/zinc/29/43/09/878294309.db2.gz QAPQKQKSFIUTFO-MDWZMJQESA-N 2 1 391.559 3.660 20 0 GHADMP CN(c1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000245707602 878433497 /nfs/dbraw/zinc/43/34/97/878433497.db2.gz FJWFREMIJOJUGX-HSZRJFAPSA-N 3 1 384.612 3.667 20 0 GHADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000245707602 878433506 /nfs/dbraw/zinc/43/35/06/878433506.db2.gz FJWFREMIJOJUGX-HSZRJFAPSA-N 3 1 384.612 3.667 20 0 GHADMP C[NH+](C)CCOc1ccccc1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245721847 878470401 /nfs/dbraw/zinc/47/04/01/878470401.db2.gz OWZCFHJYISOMKO-JOZNFPNDSA-N 2 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245721847 878470405 /nfs/dbraw/zinc/47/04/05/878470405.db2.gz OWZCFHJYISOMKO-JOZNFPNDSA-N 3 1 393.575 3.912 20 0 GHADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245721847 878470409 /nfs/dbraw/zinc/47/04/09/878470409.db2.gz OWZCFHJYISOMKO-JOZNFPNDSA-N 3 1 393.575 3.912 20 0 GHADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C1 ZINC000530821864 878591959 /nfs/dbraw/zinc/59/19/59/878591959.db2.gz WJHSEBDIMJHXGO-URXFXBBRSA-N 2 1 393.575 3.878 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](C)C1 ZINC000530821864 878591965 /nfs/dbraw/zinc/59/19/65/878591965.db2.gz WJHSEBDIMJHXGO-URXFXBBRSA-N 2 1 393.575 3.878 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000537962003 878597876 /nfs/dbraw/zinc/59/78/76/878597876.db2.gz HASLCMAODIVSDX-DNVJHFABSA-N 2 1 384.564 3.747 20 0 GHADMP Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]C3CC[NH+](C)CC3)cc2)cc1 ZINC000177222146 878605185 /nfs/dbraw/zinc/60/51/85/878605185.db2.gz HYPSSIGBGSBFLF-UHFFFAOYSA-N 2 1 395.547 3.977 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000537975194 878610331 /nfs/dbraw/zinc/61/03/31/878610331.db2.gz FLWXCZPXIWVNAN-GMAHTHKFSA-N 2 1 385.596 3.522 20 0 GHADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044571 878752028 /nfs/dbraw/zinc/75/20/28/878752028.db2.gz HAKZAPFZKPJNDN-FGTMMUONSA-N 2 1 380.960 3.991 20 0 GHADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000538044571 878752039 /nfs/dbraw/zinc/75/20/39/878752039.db2.gz HAKZAPFZKPJNDN-FGTMMUONSA-N 2 1 380.960 3.991 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1)CC(C)C ZINC000538078514 878779408 /nfs/dbraw/zinc/77/94/08/878779408.db2.gz CVUKIPZBYDJBQC-UHFFFAOYSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[NH+](C)CC[C@H]43)cc2)C1 ZINC000245994936 878833467 /nfs/dbraw/zinc/83/34/67/878833467.db2.gz RDKJOJFKPFRFFP-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc2)C1 ZINC000245994936 878833475 /nfs/dbraw/zinc/83/34/75/878833475.db2.gz RDKJOJFKPFRFFP-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc2)C1 ZINC000245994936 878833484 /nfs/dbraw/zinc/83/34/84/878833484.db2.gz RDKJOJFKPFRFFP-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc2)C1 ZINC000245994928 878833635 /nfs/dbraw/zinc/83/36/35/878833635.db2.gz RDKJOJFKPFRFFP-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc2)C1 ZINC000245994928 878833644 /nfs/dbraw/zinc/83/36/44/878833644.db2.gz RDKJOJFKPFRFFP-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc2)C1 ZINC000245994928 878833653 /nfs/dbraw/zinc/83/36/53/878833653.db2.gz RDKJOJFKPFRFFP-UEVCKROQSA-N 2 1 398.595 3.544 20 0 GHADMP Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)C2=O)cc1 ZINC000789357316 878848030 /nfs/dbraw/zinc/84/80/30/878848030.db2.gz LSIPCAYTSRCUNS-QFIPXVFZSA-N 2 1 392.547 3.903 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000177790659 878858811 /nfs/dbraw/zinc/85/88/11/878858811.db2.gz CNELONWCHGDGDJ-HSZRJFAPSA-N 2 1 395.522 3.571 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000177790659 878858822 /nfs/dbraw/zinc/85/88/22/878858822.db2.gz CNELONWCHGDGDJ-HSZRJFAPSA-N 2 1 395.522 3.571 20 0 GHADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cn1cccn1 ZINC000853240277 878925377 /nfs/dbraw/zinc/92/53/77/878925377.db2.gz OLJNDUJSLWBVIV-AZUAARDMSA-N 2 1 382.552 3.713 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000531061532 879003708 /nfs/dbraw/zinc/00/37/08/879003708.db2.gz WWBCZZILDWKVCM-APWZRJJASA-N 2 1 399.501 3.889 20 0 GHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178182622 879033069 /nfs/dbraw/zinc/03/30/69/879033069.db2.gz XRHXENWAELMQIK-IBGZPJMESA-N 2 1 387.593 3.829 20 0 GHADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178182622 879033085 /nfs/dbraw/zinc/03/30/85/879033085.db2.gz XRHXENWAELMQIK-IBGZPJMESA-N 2 1 387.593 3.829 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000111386844 879082299 /nfs/dbraw/zinc/08/22/99/879082299.db2.gz CDZFMQASOGFLDY-QGZVFWFLSA-N 2 1 385.335 3.596 20 0 GHADMP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000531100173 879129345 /nfs/dbraw/zinc/12/93/45/879129345.db2.gz UHUOVLZDJLNSSS-JOCHJYFZSA-N 2 1 389.559 3.759 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000531100173 879129352 /nfs/dbraw/zinc/12/93/52/879129352.db2.gz UHUOVLZDJLNSSS-JOCHJYFZSA-N 2 1 389.559 3.759 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000531100173 879129362 /nfs/dbraw/zinc/12/93/62/879129362.db2.gz UHUOVLZDJLNSSS-JOCHJYFZSA-N 2 1 389.559 3.759 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000531100173 879129375 /nfs/dbraw/zinc/12/93/75/879129375.db2.gz UHUOVLZDJLNSSS-JOCHJYFZSA-N 2 1 389.559 3.759 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2Br)CC[N@@H+]1C ZINC000531143639 879229918 /nfs/dbraw/zinc/22/99/18/879229918.db2.gz FXJSJIWJUWUTGW-JSGCOSHPSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000531143639 879229929 /nfs/dbraw/zinc/22/99/29/879229929.db2.gz FXJSJIWJUWUTGW-JSGCOSHPSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)cc2Br)CC[NH+]1C ZINC000531143639 879229944 /nfs/dbraw/zinc/22/99/44/879229944.db2.gz FXJSJIWJUWUTGW-JSGCOSHPSA-N 2 1 375.738 3.896 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)cc2Br)CC[NH+]1C ZINC000531143639 879229958 /nfs/dbraw/zinc/22/99/58/879229958.db2.gz FXJSJIWJUWUTGW-JSGCOSHPSA-N 2 1 375.738 3.896 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCC34CCCCC4)CC2)CC1 ZINC000617108004 879448300 /nfs/dbraw/zinc/44/83/00/879448300.db2.gz IANOGZZCJHPZNX-OAQYLSRUSA-N 2 1 375.601 3.802 20 0 GHADMP COc1ccccc1-c1ccnc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000854096647 879525820 /nfs/dbraw/zinc/52/58/20/879525820.db2.gz VMHQTBNCLJLARK-UHFFFAOYSA-N 2 1 391.519 3.927 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc(I)ccc2Cl)CCC[C@H]1C[NH3+] ZINC001206037563 879530679 /nfs/dbraw/zinc/53/06/79/879530679.db2.gz WRBQVIRGCMLCLR-NEPJUHHUSA-N 2 1 392.712 3.751 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)c2)cc1 ZINC000246480627 879602907 /nfs/dbraw/zinc/60/29/07/879602907.db2.gz OVQBVVAGNTWJKK-NZQKXSOJSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2)cc1 ZINC000246480627 879602917 /nfs/dbraw/zinc/60/29/17/879602917.db2.gz OVQBVVAGNTWJKK-NZQKXSOJSA-N 2 1 393.531 3.864 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2)cc1 ZINC000246480627 879602924 /nfs/dbraw/zinc/60/29/24/879602924.db2.gz OVQBVVAGNTWJKK-NZQKXSOJSA-N 2 1 393.531 3.864 20 0 GHADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790364015 879631179 /nfs/dbraw/zinc/63/11/79/879631179.db2.gz CVWKHMRHMMKCMV-JZWVFAODSA-N 2 1 383.536 3.642 20 0 GHADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)cc1 ZINC000790364015 879631183 /nfs/dbraw/zinc/63/11/83/879631183.db2.gz CVWKHMRHMMKCMV-JZWVFAODSA-N 2 1 383.536 3.642 20 0 GHADMP C[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000854223780 879641736 /nfs/dbraw/zinc/64/17/36/879641736.db2.gz HLFIHDOSJFHCIG-IPHXSNPTSA-N 2 1 383.467 3.579 20 0 GHADMP O=C1O[C@@]2(CN1C[N@H+]1C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]31)C[NH+]1CCC2CC1 ZINC000790385970 879657507 /nfs/dbraw/zinc/65/75/07/879657507.db2.gz OPGAQMZYXCBPTD-HYVLGVRCSA-N 2 1 395.547 3.519 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246529181 879658737 /nfs/dbraw/zinc/65/87/37/879658737.db2.gz CMHBTXRGZRXHQG-HQRMLTQVSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246529181 879658745 /nfs/dbraw/zinc/65/87/45/879658745.db2.gz CMHBTXRGZRXHQG-HQRMLTQVSA-N 2 1 382.470 3.558 20 0 GHADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246529181 879658752 /nfs/dbraw/zinc/65/87/52/879658752.db2.gz CMHBTXRGZRXHQG-HQRMLTQVSA-N 2 1 382.470 3.558 20 0 GHADMP COC(=O)c1cc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)oc1C ZINC000531342782 879660831 /nfs/dbraw/zinc/66/08/31/879660831.db2.gz ABVSYKZEFGSCCQ-QHCPKHFHSA-N 2 1 382.504 3.863 20 0 GHADMP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246654284 879740020 /nfs/dbraw/zinc/74/00/20/879740020.db2.gz ZPHPXYCBVVOKFK-RBUKOAKNSA-N 2 1 397.567 3.955 20 0 GHADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2)CC1 ZINC000493957798 879773367 /nfs/dbraw/zinc/77/33/67/879773367.db2.gz JGWPSAISNLAHFL-RBBKRZOGSA-N 2 1 384.568 3.519 20 0 GHADMP C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000494000021 879803896 /nfs/dbraw/zinc/80/38/96/879803896.db2.gz NWZWAQMBZONCLL-AUSIDOKSSA-N 2 1 377.532 3.675 20 0 GHADMP C[C@@H]1[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000494027651 879838805 /nfs/dbraw/zinc/83/88/05/879838805.db2.gz NNIVYYUZQVFALT-AUSIDOKSSA-N 2 1 377.532 3.675 20 0 GHADMP COc1ccc([C@@H]2CCCCCN2C(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000246925002 879851655 /nfs/dbraw/zinc/85/16/55/879851655.db2.gz NBYQIWWCEKLWBL-WWNPGLIZSA-N 2 1 399.579 3.555 20 0 GHADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)c2C1 ZINC000531443698 879864833 /nfs/dbraw/zinc/86/48/33/879864833.db2.gz KNZHOLBVKHKQJD-UHFFFAOYSA-N 2 1 378.520 3.971 20 0 GHADMP CCC[N@H+]1Cc2cccc(NC(=O)C3CCN(c4cc[nH+]cc4C)CC3)c2C1 ZINC000531443698 879864843 /nfs/dbraw/zinc/86/48/43/879864843.db2.gz KNZHOLBVKHKQJD-UHFFFAOYSA-N 2 1 378.520 3.971 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)[C@@H](C)C1 ZINC000246964904 879865561 /nfs/dbraw/zinc/86/55/61/879865561.db2.gz JAVARACBQKBBNR-LPHOPBHVSA-N 2 1 395.385 3.817 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)[C@@H](C)C1 ZINC000247142917 879930292 /nfs/dbraw/zinc/93/02/92/879930292.db2.gz SJIQJXXKZVLHQR-BJLQDIEVSA-N 2 1 378.557 3.800 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C)C1 ZINC000247208559 879942164 /nfs/dbraw/zinc/94/21/64/879942164.db2.gz WWHLOJAFUYISFX-FCEWJHQRSA-N 2 1 380.374 3.595 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC000247342474 879976502 /nfs/dbraw/zinc/97/65/02/879976502.db2.gz AEHISXVJXDMGFS-JJXTWPQTSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000247342474 879976510 /nfs/dbraw/zinc/97/65/10/879976510.db2.gz AEHISXVJXDMGFS-JJXTWPQTSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000247342474 879976516 /nfs/dbraw/zinc/97/65/16/879976516.db2.gz AEHISXVJXDMGFS-JJXTWPQTSA-N 2 1 398.595 3.876 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182852690 880030413 /nfs/dbraw/zinc/03/04/13/880030413.db2.gz DPILPQBTDGSPBH-RRPUWOKSSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182852690 880030430 /nfs/dbraw/zinc/03/04/30/880030430.db2.gz DPILPQBTDGSPBH-RRPUWOKSSA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182852690 880030449 /nfs/dbraw/zinc/03/04/49/880030449.db2.gz DPILPQBTDGSPBH-RRPUWOKSSA-N 2 1 383.580 3.810 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(I)c2)CC1 ZINC000453076373 880426204 /nfs/dbraw/zinc/42/62/04/880426204.db2.gz HNSNPZJXMCVYAW-NSHDSACASA-N 2 1 376.257 3.565 20 0 GHADMP O[C@@H]1[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC12CCOCC2 ZINC000453218262 880635014 /nfs/dbraw/zinc/63/50/14/880635014.db2.gz PMJLJNQUIOWDBT-ODTAKUCXSA-N 2 1 398.591 3.587 20 0 GHADMP Cc1cc(Br)c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000453577133 881081610 /nfs/dbraw/zinc/08/16/10/881081610.db2.gz WPGYKESHUDCMAL-UHFFFAOYSA-N 2 1 395.370 3.984 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1CCSCC1 ZINC000187152498 881083526 /nfs/dbraw/zinc/08/35/26/881083526.db2.gz VRVCAXUKZIBJHN-SFHVURJKSA-N 2 1 392.609 3.798 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000119824353 881124373 /nfs/dbraw/zinc/12/43/73/881124373.db2.gz KMUREZGHMFWJQA-GOSISDBHSA-N 2 1 376.504 3.868 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCNc2ccc4ccccc4n2)C3)cc1 ZINC000499157454 881289245 /nfs/dbraw/zinc/28/92/45/881289245.db2.gz PTBICHILHMBWAW-NUNAXRQHSA-N 2 1 386.543 3.854 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001170275785 881291412 /nfs/dbraw/zinc/29/14/12/881291412.db2.gz XOVCBQGYFNLRKT-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001170275785 881291423 /nfs/dbraw/zinc/29/14/23/881291423.db2.gz XOVCBQGYFNLRKT-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@H](Cc1ccccc1Cl)[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001170275785 881291440 /nfs/dbraw/zinc/29/14/40/881291440.db2.gz XOVCBQGYFNLRKT-NQSCKRDGSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@@H](Cc1ccccc1Cl)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001170255249 881305588 /nfs/dbraw/zinc/30/55/88/881305588.db2.gz NGQVCCAMIMHQBJ-HNNXBMFYSA-N 2 1 381.948 3.589 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286281903 912665655 /nfs/dbraw/zinc/66/56/55/912665655.db2.gz VUOAVZSYQKCVCJ-UWVAXJGDSA-N 2 1 379.504 3.721 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000286281903 912665666 /nfs/dbraw/zinc/66/56/66/912665666.db2.gz VUOAVZSYQKCVCJ-UWVAXJGDSA-N 2 1 379.504 3.721 20 0 GHADMP CCCOc1ccc(Br)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000469859802 883312502 /nfs/dbraw/zinc/31/25/02/883312502.db2.gz BYQFABXBJJQXNF-UHFFFAOYSA-N 2 1 385.346 3.568 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000193831294 883526841 /nfs/dbraw/zinc/52/68/41/883526841.db2.gz MMYHEYLJEJLICZ-UHFFFAOYSA-N 2 1 378.605 3.547 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000476986066 883541553 /nfs/dbraw/zinc/54/15/53/883541553.db2.gz QVOFUMWYGFRLGX-WIYYLYMNSA-N 2 1 378.532 3.542 20 0 GHADMP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000476987034 883542880 /nfs/dbraw/zinc/54/28/80/883542880.db2.gz QDZFKOSVFZQXRT-RTBURBONSA-N 2 1 375.601 3.752 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213963 883666610 /nfs/dbraw/zinc/66/66/10/883666610.db2.gz CJOIDCWFOYGXGV-MRXNPFEDSA-N 2 1 389.490 3.678 20 0 GHADMP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213963 883666619 /nfs/dbraw/zinc/66/66/19/883666619.db2.gz CJOIDCWFOYGXGV-MRXNPFEDSA-N 2 1 389.490 3.678 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000194420459 883813639 /nfs/dbraw/zinc/81/36/39/883813639.db2.gz QIWVRTWYBZCVCS-UHFFFAOYSA-N 2 1 377.554 3.974 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC001183758879 912768438 /nfs/dbraw/zinc/76/84/38/912768438.db2.gz YFCMLUUCRRPRFF-MQSCRBSSSA-N 2 1 395.522 3.699 20 0 GHADMP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC001183758879 912768495 /nfs/dbraw/zinc/76/84/95/912768495.db2.gz YFCMLUUCRRPRFF-MQSCRBSSSA-N 2 1 395.522 3.699 20 0 GHADMP O=C(OC[C@H]1CCC[N@H+]1Cc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805903268 884188038 /nfs/dbraw/zinc/18/80/38/884188038.db2.gz VUYFLLDRARTESE-OAQYLSRUSA-N 2 1 382.504 3.699 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4nc(Cl)ccc43)cc2)CC1 ZINC000806132644 884351725 /nfs/dbraw/zinc/35/17/25/884351725.db2.gz YLJXYFSQADXGIR-FQEVSTJZSA-N 2 1 384.955 3.650 20 0 GHADMP C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000495056313 884459158 /nfs/dbraw/zinc/45/91/58/884459158.db2.gz CPLLESACNBIXPI-AWEZNQCLSA-N 2 1 390.528 3.550 20 0 GHADMP C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495072095 884483793 /nfs/dbraw/zinc/48/37/93/884483793.db2.gz ZXAJDTOHXRUZMT-VWNXMTODSA-N 2 1 399.623 3.769 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC000250049237 884535472 /nfs/dbraw/zinc/53/54/72/884535472.db2.gz VVIKVGCDGGXQDB-RTBURBONSA-N 2 1 392.613 3.552 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000170801063 884558060 /nfs/dbraw/zinc/55/80/60/884558060.db2.gz CJKXLVHGCIUJNO-HSZRJFAPSA-N 2 1 395.547 3.665 20 0 GHADMP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079756323 884743670 /nfs/dbraw/zinc/74/36/70/884743670.db2.gz CKRXIQQIUFEJME-UVKLAMSESA-N 2 1 383.580 3.812 20 0 GHADMP CN(C)C(=O)C1CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000637863388 884812063 /nfs/dbraw/zinc/81/20/63/884812063.db2.gz AUJXMUUDZIQANM-XMMPIXPASA-N 2 1 385.596 3.725 20 0 GHADMP Cc1ccc(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000460343226 884949150 /nfs/dbraw/zinc/94/91/50/884949150.db2.gz MEEVNGYIOMHFAM-WOJBJXKFSA-N 2 1 379.548 3.988 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000106106378 884959359 /nfs/dbraw/zinc/95/93/59/884959359.db2.gz HBIVWKOAMQLJIT-NRFANRHFSA-N 2 1 383.536 3.570 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000106388615 885050186 /nfs/dbraw/zinc/05/01/86/885050186.db2.gz GUCFJUKDLXWBLU-DQEYMECFSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000106388615 885050195 /nfs/dbraw/zinc/05/01/95/885050195.db2.gz GUCFJUKDLXWBLU-DQEYMECFSA-N 2 1 396.575 3.878 20 0 GHADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455873379 885064053 /nfs/dbraw/zinc/06/40/53/885064053.db2.gz ZNWPCYPNRQRYQS-OAQYLSRUSA-N 2 1 384.524 3.814 20 0 GHADMP CCC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000107327221 885343083 /nfs/dbraw/zinc/34/30/83/885343083.db2.gz BTGYJNIKBNMZCJ-LJQANCHMSA-N 2 1 386.584 3.592 20 0 GHADMP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000495368927 885541705 /nfs/dbraw/zinc/54/17/05/885541705.db2.gz MAPRPPCXQWBRTD-ZVDOUQERSA-N 2 1 395.547 3.913 20 0 GHADMP COc1ccccc1[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000455878783 885563990 /nfs/dbraw/zinc/56/39/90/885563990.db2.gz QFPRPYXRTMZEQX-RTWAWAEBSA-N 2 1 396.535 3.669 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)Cn3c[nH+]c4c3CCCC4)cc2)C1 ZINC000537583798 885608115 /nfs/dbraw/zinc/60/81/15/885608115.db2.gz OPBKJDOMYLUNBQ-KDURUIRLSA-N 2 1 394.563 3.556 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)Cn3c[nH+]c4c3CCCC4)cc2)C1 ZINC000537583798 885608119 /nfs/dbraw/zinc/60/81/19/885608119.db2.gz OPBKJDOMYLUNBQ-KDURUIRLSA-N 2 1 394.563 3.556 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000495433364 885756755 /nfs/dbraw/zinc/75/67/55/885756755.db2.gz NSNPLOOFDKMRDM-BBTUJRGHSA-N 2 1 377.536 3.907 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)c(Br)c1 ZINC000655771873 885845354 /nfs/dbraw/zinc/84/53/54/885845354.db2.gz PQTXZIUCKAQYCH-BBRMVZONSA-N 2 1 385.321 3.882 20 0 GHADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498912856 886104187 /nfs/dbraw/zinc/10/41/87/886104187.db2.gz VVIPFTGNUWOUEK-IFMALSPDSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001168319040 886184069 /nfs/dbraw/zinc/18/40/69/886184069.db2.gz MNJHTJDUVQIIAZ-GRERDSQWSA-N 2 1 375.582 3.549 20 0 GHADMP C[NH+](C)C1CCC([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC1 ZINC001168319041 886184485 /nfs/dbraw/zinc/18/44/85/886184485.db2.gz MNJHTJDUVQIIAZ-GZNCHQMQSA-N 2 1 375.582 3.549 20 0 GHADMP Brc1ccc(Br)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC001235103152 886223771 /nfs/dbraw/zinc/22/37/71/886223771.db2.gz FGRUWLIFUBRNAS-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000670180241 886256940 /nfs/dbraw/zinc/25/69/40/886256940.db2.gz ZHZLXTHRCPLYRI-VXKWHMMOSA-N 2 1 398.595 3.557 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000118832817 886277501 /nfs/dbraw/zinc/27/75/01/886277501.db2.gz CYZZPDUUOWLTJX-JOCHJYFZSA-N 2 1 396.579 3.943 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(OCc4nccn4C)cc3)C2)CC1 ZINC000118832817 886277516 /nfs/dbraw/zinc/27/75/16/886277516.db2.gz CYZZPDUUOWLTJX-JOCHJYFZSA-N 2 1 396.579 3.943 20 0 GHADMP O=C1C[C@@H](c2ccccc2)N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762499787 886291185 /nfs/dbraw/zinc/29/11/85/886291185.db2.gz KVCVQFKURSLBBY-QHCPKHFHSA-N 2 1 389.543 3.906 20 0 GHADMP O=C1C[C@@H](c2ccccc2)N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762499787 886291206 /nfs/dbraw/zinc/29/12/06/886291206.db2.gz KVCVQFKURSLBBY-QHCPKHFHSA-N 2 1 389.543 3.906 20 0 GHADMP O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762500455 886295659 /nfs/dbraw/zinc/29/56/59/886295659.db2.gz DAPXXHOBTROUNY-YADHBBJMSA-N 2 1 381.564 3.723 20 0 GHADMP O=C1[C@@H]2CCCCC[C@@H]2N1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762500455 886295677 /nfs/dbraw/zinc/29/56/77/886295677.db2.gz DAPXXHOBTROUNY-YADHBBJMSA-N 2 1 381.564 3.723 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867509 886384141 /nfs/dbraw/zinc/38/41/41/886384141.db2.gz FELWXBNINRNOPY-ZJOUEHCJSA-N 2 1 375.520 3.971 20 0 GHADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccccc1-n1ccnn1 ZINC000556867509 886384155 /nfs/dbraw/zinc/38/41/55/886384155.db2.gz FELWXBNINRNOPY-ZJOUEHCJSA-N 2 1 375.520 3.971 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(C4CC4)s3)CC2)CC1 ZINC000537620154 886755337 /nfs/dbraw/zinc/75/53/37/886755337.db2.gz ORIOQYBZWMDIDI-UHFFFAOYSA-N 3 1 376.614 3.649 20 0 GHADMP C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000644160924 913079725 /nfs/dbraw/zinc/07/97/25/913079725.db2.gz KSZFGCMSJBKVKI-NZQKXSOJSA-N 2 1 398.595 3.729 20 0 GHADMP CN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000666664543 887013876 /nfs/dbraw/zinc/01/38/76/887013876.db2.gz HAGWNLLZBZANIW-NRFANRHFSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000762927004 887117690 /nfs/dbraw/zinc/11/76/90/887117690.db2.gz ZFOYBLMCELVNNV-UHFFFAOYSA-N 2 1 376.545 3.693 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4ccc(Cl)cc43)CC2)CC1 ZINC000863635073 887252073 /nfs/dbraw/zinc/25/20/73/887252073.db2.gz GNDNRIDRPLLACR-OAQYLSRUSA-N 2 1 389.971 3.640 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000129022896 887252334 /nfs/dbraw/zinc/25/23/34/887252334.db2.gz MMEJZRORFZCERN-UHFFFAOYSA-N 2 1 394.563 3.875 20 0 GHADMP C[C@H](CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+]1CCCCC1 ZINC000763006705 887539859 /nfs/dbraw/zinc/53/98/59/887539859.db2.gz APDYGNQRRNNSSM-OAQYLSRUSA-N 2 1 398.595 3.559 20 0 GHADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132814553 887703440 /nfs/dbraw/zinc/70/34/40/887703440.db2.gz BLNHLEKTRDJTSH-DJJJIMSYSA-N 2 1 397.332 3.666 20 0 GHADMP C[N@@H+](Cc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741724 887774509 /nfs/dbraw/zinc/77/45/09/887774509.db2.gz UPLMBFGMUCRFRT-GOSISDBHSA-N 2 1 389.893 3.959 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(C3OCCO3)s2)CC1)CC(C)C ZINC000809755502 887795698 /nfs/dbraw/zinc/79/56/98/887795698.db2.gz IWKPVSATFMKZGG-UHFFFAOYSA-N 2 1 381.586 3.769 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000054719187 888034609 /nfs/dbraw/zinc/03/46/09/888034609.db2.gz NOOKZRZPXRPICG-RZUBCFFCSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000054719187 888034616 /nfs/dbraw/zinc/03/46/16/888034616.db2.gz NOOKZRZPXRPICG-RZUBCFFCSA-N 2 1 386.584 3.776 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000054719187 888034622 /nfs/dbraw/zinc/03/46/22/888034622.db2.gz NOOKZRZPXRPICG-RZUBCFFCSA-N 2 1 386.584 3.776 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810269254 888333071 /nfs/dbraw/zinc/33/30/71/888333071.db2.gz CUBQAMCIMMZJBR-NRFANRHFSA-N 2 1 393.572 3.695 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000475922921 888458042 /nfs/dbraw/zinc/45/80/42/888458042.db2.gz VOQVSYYMTXUUMJ-QGZVFWFLSA-N 2 1 398.551 3.589 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000465517240 888531125 /nfs/dbraw/zinc/53/11/25/888531125.db2.gz BZXVQQLKFXUVBX-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000465517240 888531137 /nfs/dbraw/zinc/53/11/37/888531137.db2.gz BZXVQQLKFXUVBX-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000465517240 888531144 /nfs/dbraw/zinc/53/11/44/888531144.db2.gz BZXVQQLKFXUVBX-VNHKHXMHSA-N 2 1 398.595 3.543 20 0 GHADMP C[C@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000810662841 888749546 /nfs/dbraw/zinc/74/95/46/888749546.db2.gz ICEYIDWBQVUXFX-LQBOVUBWSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H](OC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810662841 888749561 /nfs/dbraw/zinc/74/95/61/888749561.db2.gz ICEYIDWBQVUXFX-LQBOVUBWSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H](OC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810662841 888749565 /nfs/dbraw/zinc/74/95/65/888749565.db2.gz ICEYIDWBQVUXFX-LQBOVUBWSA-N 2 1 376.516 3.653 20 0 GHADMP Cc1ccc(C(C)C)c(OCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000532793424 888998541 /nfs/dbraw/zinc/99/85/41/888998541.db2.gz MHQGWOXIIRGNOK-UHFFFAOYSA-N 2 1 396.535 3.673 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(-c3cccnc3)c2)c2cccs2)CC1 ZINC000532870251 889176871 /nfs/dbraw/zinc/17/68/71/889176871.db2.gz LFBVLWPVMACMOL-QFIPXVFZSA-N 2 1 392.572 3.888 20 0 GHADMP C[N@@H+](C1CCC([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168511137 889235384 /nfs/dbraw/zinc/23/53/84/889235384.db2.gz ANKRANZWMFWNMT-WUCCLRPBSA-N 2 1 379.467 3.519 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@@H]1c1cccs1 ZINC000868185124 889341741 /nfs/dbraw/zinc/34/17/41/889341741.db2.gz MTWIMUXEWMFYKE-WOGUSJMUSA-N 2 1 384.549 3.767 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccc1F ZINC000644532699 913347247 /nfs/dbraw/zinc/34/72/47/913347247.db2.gz JHGYSRGHQWILNL-MRXNPFEDSA-N 2 1 375.513 3.718 20 0 GHADMP O=C(CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccccc1F ZINC000644532699 913347277 /nfs/dbraw/zinc/34/72/77/913347277.db2.gz JHGYSRGHQWILNL-MRXNPFEDSA-N 2 1 375.513 3.718 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(-c3ccccn3)c2)c2cccs2)CC1 ZINC000533039368 889592935 /nfs/dbraw/zinc/59/29/35/889592935.db2.gz RUQZXEWVNJTICN-JOCHJYFZSA-N 2 1 392.572 3.888 20 0 GHADMP CC[N@@H+](CC(=O)Nc1ccccc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533074161 889691768 /nfs/dbraw/zinc/69/17/68/889691768.db2.gz VUDIQYCUUNSROG-UHFFFAOYSA-N 2 1 395.551 3.838 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)C1 ZINC001168516854 889720575 /nfs/dbraw/zinc/72/05/75/889720575.db2.gz BPZZIBCVEYERET-BZUAXINKSA-N 2 1 393.494 3.638 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000533150176 889894016 /nfs/dbraw/zinc/89/40/16/889894016.db2.gz QFCBJKKGZDVGJM-UHFFFAOYSA-N 2 1 397.588 3.870 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000125728592 890102066 /nfs/dbraw/zinc/10/20/66/890102066.db2.gz XFUDNRIIXRVLSA-HKUYNNGSSA-N 2 1 379.976 3.787 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3c(C)cc(C)cc3C)CC2)CC1 ZINC000533282233 890218660 /nfs/dbraw/zinc/21/86/60/890218660.db2.gz CGPYUFNNUHTRPW-OAQYLSRUSA-N 2 1 385.596 3.939 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3c(C)cc(C)cc3C)CC2)CC1 ZINC000533282232 890218979 /nfs/dbraw/zinc/21/89/79/890218979.db2.gz CGPYUFNNUHTRPW-NRFANRHFSA-N 2 1 385.596 3.939 20 0 GHADMP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000065054765 890250868 /nfs/dbraw/zinc/25/08/68/890250868.db2.gz MDLOFIKJFYBFHV-UHFFFAOYSA-N 2 1 394.563 3.528 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)NCCCCC[NH+]2CCCC2)[C@H]1c1cccs1 ZINC000455110966 890362509 /nfs/dbraw/zinc/36/25/09/890362509.db2.gz GMYBIPMLBDOLNU-QUCCMNQESA-N 2 1 392.613 3.696 20 0 GHADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000123179729 890390167 /nfs/dbraw/zinc/39/01/67/890390167.db2.gz HGJDSVLQKDDCRM-UHFFFAOYSA-N 2 1 385.524 3.994 20 0 GHADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126667300 890640904 /nfs/dbraw/zinc/64/09/04/890640904.db2.gz IGGGGIDRGAQHMF-HSZRJFAPSA-N 2 1 379.548 3.746 20 0 GHADMP CN(C)C[C@](C)(O)C[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000533563152 890852602 /nfs/dbraw/zinc/85/26/02/890852602.db2.gz HSYJHTFVNRSLBM-HXUWFJFHSA-N 2 1 397.346 3.975 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000127341127 891011026 /nfs/dbraw/zinc/01/10/26/891011026.db2.gz CVZVNPMCDARDTG-NRFANRHFSA-N 2 1 381.520 3.885 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000127341127 891011043 /nfs/dbraw/zinc/01/10/43/891011043.db2.gz CVZVNPMCDARDTG-NRFANRHFSA-N 2 1 381.520 3.885 20 0 GHADMP COC(=O)Nc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000812834190 891020267 /nfs/dbraw/zinc/02/02/67/891020267.db2.gz NNXHWCMWLZOLGE-UHFFFAOYSA-N 2 1 399.510 3.843 20 0 GHADMP C[N@@H+](CCCC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)C1CC1 ZINC000872075460 891141151 /nfs/dbraw/zinc/14/11/51/891141151.db2.gz AVJUOLCBFNEFKX-APWZRJJASA-N 2 1 381.358 3.991 20 0 GHADMP C[C@@H]([NH2+]Cc1nc(-c2ccncc2)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000872122267 891168732 /nfs/dbraw/zinc/16/87/32/891168732.db2.gz KZSKRNLTCFUVMJ-MRXNPFEDSA-N 2 1 382.533 3.996 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156083 891183686 /nfs/dbraw/zinc/18/36/86/891183686.db2.gz DOZGKOREVAKTKF-LLGFUMIMSA-N 2 1 378.582 3.771 20 0 GHADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156083 891183693 /nfs/dbraw/zinc/18/36/93/891183693.db2.gz DOZGKOREVAKTKF-LLGFUMIMSA-N 2 1 378.582 3.771 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)NC2CC[NH+](C3CCC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000455561790 891217859 /nfs/dbraw/zinc/21/78/59/891217859.db2.gz NKDDEBUNOGVEBV-CTNGQTDRSA-N 2 1 398.595 3.603 20 0 GHADMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170698510 891343415 /nfs/dbraw/zinc/34/34/15/891343415.db2.gz PRHLCPHWQUCYGQ-QZTJIDSGSA-N 2 1 378.507 3.834 20 0 GHADMP Cc1ccc(CNC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)c(N2CCCC2)[nH+]1 ZINC000872965822 891401526 /nfs/dbraw/zinc/40/15/26/891401526.db2.gz GBGURRZBZXQGOQ-UHFFFAOYSA-N 2 1 399.583 3.540 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000128088597 891407707 /nfs/dbraw/zinc/40/77/07/891407707.db2.gz ZKJCDRWGYFJMCZ-KNQAVFIVSA-N 2 1 386.584 3.544 20 0 GHADMP Cc1cc(CNC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC000873016761 891430421 /nfs/dbraw/zinc/43/04/21/891430421.db2.gz PCEADKXSSCYSLH-UHFFFAOYSA-N 2 1 399.583 3.540 20 0 GHADMP O[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(F)c(F)c1 ZINC000813370644 891555225 /nfs/dbraw/zinc/55/52/25/891555225.db2.gz IDSIOJCCAGCCGA-QFIPXVFZSA-N 2 1 386.486 3.986 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000162161497 892080275 /nfs/dbraw/zinc/08/02/75/892080275.db2.gz ASOWJGPWRGHDSQ-LJQANCHMSA-N 2 1 375.520 3.891 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497826062 892482090 /nfs/dbraw/zinc/48/20/90/892482090.db2.gz LXFBVFYTEZIIHN-XMMPIXPASA-N 2 1 392.547 3.780 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@@H]21 ZINC001137088438 892539052 /nfs/dbraw/zinc/53/90/52/892539052.db2.gz WXMKTXZQODNWQM-ZCVJKFOLSA-N 2 1 387.531 3.757 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc4nccnc4c3)C[C@@H]21 ZINC001137088438 892539063 /nfs/dbraw/zinc/53/90/63/892539063.db2.gz WXMKTXZQODNWQM-ZCVJKFOLSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc4nccnc4c3)C[C@@H]21 ZINC001137088438 892539077 /nfs/dbraw/zinc/53/90/77/892539077.db2.gz WXMKTXZQODNWQM-ZCVJKFOLSA-N 2 1 387.531 3.757 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc4nccnc4c3)C[C@@H]21 ZINC001137088438 892539082 /nfs/dbraw/zinc/53/90/82/892539082.db2.gz WXMKTXZQODNWQM-ZCVJKFOLSA-N 2 1 387.531 3.757 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645109480 913681840 /nfs/dbraw/zinc/68/18/40/913681840.db2.gz YXKWHPNOGCGDIC-KCZVDYSFSA-N 2 1 399.579 3.544 20 0 GHADMP C[C@H](NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000875478045 892636104 /nfs/dbraw/zinc/63/61/04/892636104.db2.gz WJDOKSFIRUEUIB-VQTJNVASSA-N 2 1 390.616 3.689 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000508695728 892658571 /nfs/dbraw/zinc/65/85/71/892658571.db2.gz GBIRIYOVQZOLIT-NNWRFLSQSA-N 2 1 379.548 3.774 20 0 GHADMP C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700449 892669943 /nfs/dbraw/zinc/66/99/43/892669943.db2.gz UJGQIARTOWWKDN-AJSBUHFISA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000508708983 892803284 /nfs/dbraw/zinc/80/32/84/892803284.db2.gz FNOOQEJRYUFPGF-ZJOUEHCJSA-N 2 1 383.605 3.995 20 0 GHADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262681574 892846809 /nfs/dbraw/zinc/84/68/09/892846809.db2.gz XVGGADAOJUFJHV-PWHSHALESA-N 2 1 379.548 3.871 20 0 GHADMP c1cnn(-c2ccccc2C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1 ZINC001137098302 892873777 /nfs/dbraw/zinc/87/37/77/892873777.db2.gz UUMJMFMLKYFJEX-UHFFFAOYSA-N 2 1 376.504 3.953 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162628114 892895583 /nfs/dbraw/zinc/89/55/83/892895583.db2.gz RPVYMTBYHWVQHP-WIYYLYMNSA-N 2 1 375.557 3.630 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC3CCCC3)nc2)[C@H](C)C1 ZINC000162628114 892895600 /nfs/dbraw/zinc/89/56/00/892895600.db2.gz RPVYMTBYHWVQHP-WIYYLYMNSA-N 2 1 375.557 3.630 20 0 GHADMP C[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508720816 892973676 /nfs/dbraw/zinc/97/36/76/892973676.db2.gz SFOHGACZMQWOAQ-PKOBYXMFSA-N 2 1 380.511 3.755 20 0 GHADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498075459 893155133 /nfs/dbraw/zinc/15/51/33/893155133.db2.gz ZNZYVGLNEHBEMA-NJAFHUGGSA-N 2 1 385.474 3.578 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000562976167 893238159 /nfs/dbraw/zinc/23/81/59/893238159.db2.gz XLMRHZHQHPJZAD-RJGXRXQPSA-N 2 1 377.532 3.518 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000563069573 893337359 /nfs/dbraw/zinc/33/73/59/893337359.db2.gz MKVIXWKRTQBOOU-IFXJQAMLSA-N 2 1 391.437 3.729 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cccn(C(F)F)c3=O)cc2)CC1 ZINC000876866366 893367367 /nfs/dbraw/zinc/36/73/67/893367367.db2.gz SEEBRDSINGFKQG-UHFFFAOYSA-N 2 1 390.478 3.634 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000876908920 893383196 /nfs/dbraw/zinc/38/31/96/893383196.db2.gz SHROOJPOABFGRP-YVWKXTFCSA-N 2 1 377.573 3.771 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000536652132 893425498 /nfs/dbraw/zinc/42/54/98/893425498.db2.gz PONOIWHMMBLXCQ-UHFFFAOYSA-N 3 1 386.628 3.771 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877033856 893449452 /nfs/dbraw/zinc/44/94/52/893449452.db2.gz PRCOHPPGMKPQBI-CTUHWIOQSA-N 2 1 396.531 3.695 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877033856 893449455 /nfs/dbraw/zinc/44/94/55/893449455.db2.gz PRCOHPPGMKPQBI-CTUHWIOQSA-N 2 1 396.531 3.695 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(-n4cccn4)c3)CC2)CC1 ZINC000536666717 893489032 /nfs/dbraw/zinc/48/90/32/893489032.db2.gz SNJKIFMDJKMUFF-UHFFFAOYSA-N 2 1 395.595 3.500 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(-n2cccn2)c1 ZINC000536666717 893489043 /nfs/dbraw/zinc/48/90/43/893489043.db2.gz SNJKIFMDJKMUFF-UHFFFAOYSA-N 3 1 395.595 3.500 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(-n2cccn2)c1 ZINC000536666717 893489054 /nfs/dbraw/zinc/48/90/54/893489054.db2.gz SNJKIFMDJKMUFF-UHFFFAOYSA-N 3 1 395.595 3.500 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000536695264 893558384 /nfs/dbraw/zinc/55/83/84/893558384.db2.gz WILWJLMFEVPKEK-INIZCTEOSA-N 2 1 398.473 3.525 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3n2C)C1 ZINC000536695264 893558401 /nfs/dbraw/zinc/55/84/01/893558401.db2.gz WILWJLMFEVPKEK-INIZCTEOSA-N 2 1 398.473 3.525 20 0 GHADMP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000877405210 893593521 /nfs/dbraw/zinc/59/35/21/893593521.db2.gz FIKPTXHWEYNZOP-CTNGQTDRSA-N 2 1 398.595 3.922 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191513111 893629448 /nfs/dbraw/zinc/62/94/48/893629448.db2.gz NWQFNJLMKJLLCO-DNVCBOLYSA-N 2 1 381.358 3.848 20 0 GHADMP Fc1ccc(C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2COc3ccccc3O2)cc1 ZINC000459555296 893799878 /nfs/dbraw/zinc/79/98/78/893799878.db2.gz HABIEQSBVZQEFN-XUZZJYLKSA-N 2 1 396.506 3.793 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000459737529 894158862 /nfs/dbraw/zinc/15/88/62/894158862.db2.gz RKXJVIJLFRYESS-SFHVURJKSA-N 2 1 381.520 3.769 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc(OC)c1OC ZINC000563810751 894216198 /nfs/dbraw/zinc/21/61/98/894216198.db2.gz UMQDPGAMRVOILV-HXUWFJFHSA-N 2 1 396.531 3.999 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc(OC)c1OC ZINC000563810751 894216214 /nfs/dbraw/zinc/21/62/14/894216214.db2.gz UMQDPGAMRVOILV-HXUWFJFHSA-N 2 1 396.531 3.999 20 0 GHADMP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563913329 894319250 /nfs/dbraw/zinc/31/92/50/894319250.db2.gz JNCSQYJNWRRHTJ-WOJBJXKFSA-N 2 1 386.584 3.826 20 0 GHADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563913329 894319267 /nfs/dbraw/zinc/31/92/67/894319267.db2.gz JNCSQYJNWRRHTJ-WOJBJXKFSA-N 2 1 386.584 3.826 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccccc1Cl ZINC001135461637 894630866 /nfs/dbraw/zinc/63/08/66/894630866.db2.gz MDGSECAQBBOPHY-VQTJNVASSA-N 2 1 377.960 3.856 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1Cl ZINC001135461637 894630869 /nfs/dbraw/zinc/63/08/69/894630869.db2.gz MDGSECAQBBOPHY-VQTJNVASSA-N 2 1 377.960 3.856 20 0 GHADMP CC(C)Oc1ccccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137138133 894653134 /nfs/dbraw/zinc/65/31/34/894653134.db2.gz PVVNLGSPPWOQBF-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137138133 894653139 /nfs/dbraw/zinc/65/31/39/894653139.db2.gz PVVNLGSPPWOQBF-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP CC(C)Oc1ccccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001137138133 894653151 /nfs/dbraw/zinc/65/31/51/894653151.db2.gz PVVNLGSPPWOQBF-ISKFKSNPSA-N 2 1 395.547 3.592 20 0 GHADMP Cc1ccc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)c(C[NH+](C)C)c1 ZINC000645444061 913900970 /nfs/dbraw/zinc/90/09/70/913900970.db2.gz IVKOSFSJJHRSOJ-HZPDHXFCSA-N 2 1 385.474 3.904 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293412 894828298 /nfs/dbraw/zinc/82/82/98/894828298.db2.gz LBBBHGDCEDQHPY-IBGZPJMESA-N 2 1 385.577 3.712 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293412 894828310 /nfs/dbraw/zinc/82/83/10/894828310.db2.gz LBBBHGDCEDQHPY-IBGZPJMESA-N 2 1 385.577 3.712 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccc(C(=O)N(C)C)c3)C2)s1 ZINC000564293412 894828339 /nfs/dbraw/zinc/82/83/39/894828339.db2.gz LBBBHGDCEDQHPY-IBGZPJMESA-N 2 1 385.577 3.712 20 0 GHADMP COCC[N@@H+](Cc1nnc(-c2cccc3ccccc32)o1)CC1CC[NH+](C)CC1 ZINC000879126565 894850490 /nfs/dbraw/zinc/85/04/90/894850490.db2.gz JEFGTBDVCCSADB-UHFFFAOYSA-N 2 1 394.519 3.680 20 0 GHADMP COCC[N@H+](Cc1nnc(-c2cccc3ccccc32)o1)CC1CC[NH+](C)CC1 ZINC000879126565 894850516 /nfs/dbraw/zinc/85/05/16/894850516.db2.gz JEFGTBDVCCSADB-UHFFFAOYSA-N 2 1 394.519 3.680 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000476046927 895043971 /nfs/dbraw/zinc/04/39/71/895043971.db2.gz ASUWYGDMYJOHFP-URXFXBBRSA-N 2 1 398.595 3.559 20 0 GHADMP Cc1cccc2c(C[NH+]3CCC4(C[C@H]([N@@H+](C)Cc5ccco5)CO4)CC3)[nH]nc21 ZINC001137144648 895069232 /nfs/dbraw/zinc/06/92/32/895069232.db2.gz BGLMPBNIAYYXEN-SFHVURJKSA-N 2 1 394.519 3.720 20 0 GHADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC000879576051 895143257 /nfs/dbraw/zinc/14/32/57/895143257.db2.gz SMXCNYVZLMUFLR-GHTZIAJQSA-N 2 1 379.504 3.834 20 0 GHADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC000879576051 895143267 /nfs/dbraw/zinc/14/32/67/895143267.db2.gz SMXCNYVZLMUFLR-GHTZIAJQSA-N 2 1 379.504 3.834 20 0 GHADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC000879576051 895143564 /nfs/dbraw/zinc/14/35/64/895143564.db2.gz SMXCNYVZLMUFLR-GHTZIAJQSA-N 2 1 379.504 3.834 20 0 GHADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)CC[C@H]21 ZINC000879576051 895143573 /nfs/dbraw/zinc/14/35/73/895143573.db2.gz SMXCNYVZLMUFLR-GHTZIAJQSA-N 2 1 379.504 3.834 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000565473828 895659870 /nfs/dbraw/zinc/65/98/70/895659870.db2.gz JMOYCMGZYMKPNT-GEWVGOBGSA-N 2 1 394.506 3.568 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000565473828 895659878 /nfs/dbraw/zinc/65/98/78/895659878.db2.gz JMOYCMGZYMKPNT-GEWVGOBGSA-N 2 1 394.506 3.568 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000565547838 895714073 /nfs/dbraw/zinc/71/40/73/895714073.db2.gz DIOLZZSRYLUXID-NYVOZVTQSA-N 2 1 375.601 3.610 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2)Nc1ccccc1 ZINC000565780344 895870886 /nfs/dbraw/zinc/87/08/86/895870886.db2.gz RHMLYLBLWQTKFJ-QFIPXVFZSA-N 2 1 378.520 3.509 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cs2)cc1OC ZINC000566010412 896045260 /nfs/dbraw/zinc/04/52/60/896045260.db2.gz SLUUBRYWUFAXPB-SJORKVTESA-N 2 1 387.549 3.649 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000566414776 896297219 /nfs/dbraw/zinc/29/72/19/896297219.db2.gz RUDKDSPNMDXKRV-OAQYLSRUSA-N 2 1 385.939 3.724 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3Cl)c2)CCO1 ZINC000818974827 896330375 /nfs/dbraw/zinc/33/03/75/896330375.db2.gz FWAUJVLHNQAKSF-YCRPNKLZSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3Cl)c2)CCO1 ZINC000818974827 896330389 /nfs/dbraw/zinc/33/03/89/896330389.db2.gz FWAUJVLHNQAKSF-YCRPNKLZSA-N 2 1 392.902 3.523 20 0 GHADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000566559994 896379064 /nfs/dbraw/zinc/37/90/64/896379064.db2.gz IEIIXQBFYOVNPF-LJQANCHMSA-N 2 1 390.597 3.823 20 0 GHADMP C[N@@H+](CCCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl)C1CC1 ZINC000819362255 896639385 /nfs/dbraw/zinc/63/93/85/896639385.db2.gz NJFGHWXUEPSVMM-QGZVFWFLSA-N 2 1 389.765 3.774 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC001137174335 896693049 /nfs/dbraw/zinc/69/30/49/896693049.db2.gz CGQYPSVOFLDEBS-VJBWXMMDSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC001137174335 896693056 /nfs/dbraw/zinc/69/30/56/896693056.db2.gz CGQYPSVOFLDEBS-VJBWXMMDSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC001137174335 896693064 /nfs/dbraw/zinc/69/30/64/896693064.db2.gz CGQYPSVOFLDEBS-VJBWXMMDSA-N 2 1 389.547 3.805 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3cccc4cccnc43)CC[C@@H]21 ZINC001137174335 896693071 /nfs/dbraw/zinc/69/30/71/896693071.db2.gz CGQYPSVOFLDEBS-VJBWXMMDSA-N 2 1 389.547 3.805 20 0 GHADMP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001136226192 896776492 /nfs/dbraw/zinc/77/64/92/896776492.db2.gz UMQLUEDULRQCTP-HKBOAZHASA-N 2 1 385.596 3.566 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc4c(n3)CCC4)CC2)c1C ZINC000567026274 896810824 /nfs/dbraw/zinc/81/08/24/896810824.db2.gz FBSWKWMBYXHKDI-UHFFFAOYSA-N 2 1 394.563 3.687 20 0 GHADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc4c(n3)CCC4)CC2)c1C ZINC000567026274 896810833 /nfs/dbraw/zinc/81/08/33/896810833.db2.gz FBSWKWMBYXHKDI-UHFFFAOYSA-N 2 1 394.563 3.687 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc4c3CCOC4)CC2)cs1 ZINC000882992404 897185242 /nfs/dbraw/zinc/18/52/42/897185242.db2.gz VIAJHIQELYQFPC-UHFFFAOYSA-N 2 1 385.577 3.780 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000568144251 897633108 /nfs/dbraw/zinc/63/31/08/897633108.db2.gz ANNCHUKYTWZOHX-AZUAARDMSA-N 2 1 393.531 3.970 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000569016983 898278387 /nfs/dbraw/zinc/27/83/87/898278387.db2.gz HWZRDGHAVCURFA-UHFFFAOYSA-N 2 1 385.596 3.797 20 0 GHADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)cs2)cc1 ZINC000289562203 914241440 /nfs/dbraw/zinc/24/14/40/914241440.db2.gz YTLBBJVYQSBBHS-UHFFFAOYSA-N 2 1 384.593 3.578 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000822456141 898383930 /nfs/dbraw/zinc/38/39/30/898383930.db2.gz PDGZDRGOUXDSCE-WTGUMLROSA-N 2 1 397.604 3.501 20 0 GHADMP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)CC(C)(C)C ZINC001136635167 898662125 /nfs/dbraw/zinc/66/21/25/898662125.db2.gz DJDJXQQIZNUYSY-LJQANCHMSA-N 2 1 379.976 3.789 20 0 GHADMP C[N@@H+](CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1)CC(C)(C)C ZINC001136635167 898662131 /nfs/dbraw/zinc/66/21/31/898662131.db2.gz DJDJXQQIZNUYSY-LJQANCHMSA-N 2 1 379.976 3.789 20 0 GHADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)CC(C)(C)C ZINC001136635167 898662136 /nfs/dbraw/zinc/66/21/36/898662136.db2.gz DJDJXQQIZNUYSY-LJQANCHMSA-N 2 1 379.976 3.789 20 0 GHADMP C[NH+](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)CC(C)(C)C ZINC001136635167 898662143 /nfs/dbraw/zinc/66/21/43/898662143.db2.gz DJDJXQQIZNUYSY-LJQANCHMSA-N 2 1 379.976 3.789 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001136635536 898663314 /nfs/dbraw/zinc/66/33/14/898663314.db2.gz QSMPDQIFSUEIHY-VQIMIIECSA-N 2 1 379.976 3.977 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001136635536 898663327 /nfs/dbraw/zinc/66/33/27/898663327.db2.gz QSMPDQIFSUEIHY-VQIMIIECSA-N 2 1 379.976 3.977 20 0 GHADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000646136197 914279944 /nfs/dbraw/zinc/27/99/44/914279944.db2.gz AFSBITBCJLJNIK-PGRDOPGGSA-N 2 1 381.520 3.826 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767392 898936059 /nfs/dbraw/zinc/93/60/59/898936059.db2.gz QIOWHTTXDNQMIY-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767392 898936062 /nfs/dbraw/zinc/93/60/62/898936062.db2.gz QIOWHTTXDNQMIY-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767392 898936067 /nfs/dbraw/zinc/93/60/67/898936067.db2.gz QIOWHTTXDNQMIY-VQTJNVASSA-N 2 1 388.577 3.559 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3/C=C\c3ccccc3)CC2)CC1 ZINC000569824568 898970358 /nfs/dbraw/zinc/97/03/58/898970358.db2.gz UVKREFRYTLPMAQ-QROQDFCZSA-N 2 1 395.591 3.887 20 0 GHADMP CN(Cc1ccccc1)C(=O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000569872521 898997903 /nfs/dbraw/zinc/99/79/03/898997903.db2.gz LHVFUOUUPNGMHP-UHFFFAOYSA-N 2 1 379.548 3.678 20 0 GHADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000331692897 899085076 /nfs/dbraw/zinc/08/50/76/899085076.db2.gz BVEFZQXZENDCPC-DYVFJYSZSA-N 2 1 380.330 3.663 20 0 GHADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000570186886 899182649 /nfs/dbraw/zinc/18/26/49/899182649.db2.gz KGQYWDCCILDIAT-UYAOXDASSA-N 2 1 386.584 3.720 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210995 899196420 /nfs/dbraw/zinc/19/64/20/899196420.db2.gz QEMWIYDROMRXRZ-XZOQPEGZSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210995 899196424 /nfs/dbraw/zinc/19/64/24/899196424.db2.gz QEMWIYDROMRXRZ-XZOQPEGZSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210995 899196430 /nfs/dbraw/zinc/19/64/30/899196430.db2.gz QEMWIYDROMRXRZ-XZOQPEGZSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210995 899196439 /nfs/dbraw/zinc/19/64/39/899196439.db2.gz QEMWIYDROMRXRZ-XZOQPEGZSA-N 2 1 376.548 3.636 20 0 GHADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000570633018 899456254 /nfs/dbraw/zinc/45/62/54/899456254.db2.gz UJZZHFZAOISROW-RYUDHWBXSA-N 2 1 390.742 3.907 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000570633018 899456261 /nfs/dbraw/zinc/45/62/61/899456261.db2.gz UJZZHFZAOISROW-RYUDHWBXSA-N 2 1 390.742 3.907 20 0 GHADMP C[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000646249174 914352563 /nfs/dbraw/zinc/35/25/63/914352563.db2.gz OXXWFQPTNWWCIG-PTUXOGIPSA-N 2 1 383.580 3.525 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000824383930 899576465 /nfs/dbraw/zinc/57/64/65/899576465.db2.gz WNOHEVMEUMSUNC-MOPGFXCFSA-N 2 1 385.552 3.551 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000824389992 899578943 /nfs/dbraw/zinc/57/89/43/899578943.db2.gz YIGVJRWXFIRLKU-HBFSDRIKSA-N 2 1 379.589 3.686 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001136921104 899760696 /nfs/dbraw/zinc/76/06/96/899760696.db2.gz QDBAEMWKERCHBO-NRFANRHFSA-N 2 1 397.563 3.691 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC001136921104 899760706 /nfs/dbraw/zinc/76/07/06/899760706.db2.gz QDBAEMWKERCHBO-NRFANRHFSA-N 2 1 397.563 3.691 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC001136921104 899760710 /nfs/dbraw/zinc/76/07/10/899760710.db2.gz QDBAEMWKERCHBO-NRFANRHFSA-N 2 1 397.563 3.691 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC001136921104 899760718 /nfs/dbraw/zinc/76/07/18/899760718.db2.gz QDBAEMWKERCHBO-NRFANRHFSA-N 2 1 397.563 3.691 20 0 GHADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000134783139 900118727 /nfs/dbraw/zinc/11/87/27/900118727.db2.gz HCSGZBWUTFRXIO-IAGOWNOFSA-N 2 1 390.572 3.797 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000844300029 900689719 /nfs/dbraw/zinc/68/97/19/900689719.db2.gz IOHCXBVHLLSOAR-UWJYYQICSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000844300029 900689726 /nfs/dbraw/zinc/68/97/26/900689726.db2.gz IOHCXBVHLLSOAR-UWJYYQICSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[NH+]1C ZINC000844300029 900689743 /nfs/dbraw/zinc/68/97/43/900689743.db2.gz IOHCXBVHLLSOAR-UWJYYQICSA-N 2 1 387.568 3.894 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)CC[NH+]1C ZINC000844300029 900689751 /nfs/dbraw/zinc/68/97/51/900689751.db2.gz IOHCXBVHLLSOAR-UWJYYQICSA-N 2 1 387.568 3.894 20 0 GHADMP COc1cc2cc[nH+]c(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)c2cc1F ZINC000574189876 900810888 /nfs/dbraw/zinc/81/08/88/900810888.db2.gz VMDZYSSQJYPJNU-IBGZPJMESA-N 2 1 395.478 3.951 20 0 GHADMP COc1cc2cc[nH+]c(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)c2cc1F ZINC000574189876 900810893 /nfs/dbraw/zinc/81/08/93/900810893.db2.gz VMDZYSSQJYPJNU-IBGZPJMESA-N 2 1 395.478 3.951 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000574468572 900900516 /nfs/dbraw/zinc/90/05/16/900900516.db2.gz JKWGWWFZAQGYDB-JOCHJYFZSA-N 2 1 382.504 3.546 20 0 GHADMP C[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000574601643 900942751 /nfs/dbraw/zinc/94/27/51/900942751.db2.gz GBIYMWRWZBPJFW-OFNKIYASSA-N 2 1 396.579 3.555 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(Br)nc3)CC2)nc(C)[nH+]1 ZINC000290035915 914491515 /nfs/dbraw/zinc/49/15/15/914491515.db2.gz BFXHQHAMWURCKS-CYBMUJFWSA-N 2 1 390.329 3.571 20 0 GHADMP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000886503692 901090564 /nfs/dbraw/zinc/09/05/64/901090564.db2.gz ACBYXNQTRMLEGV-FXAWDEMLSA-N 2 1 396.535 3.669 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)c1 ZINC000886509955 901101749 /nfs/dbraw/zinc/10/17/49/901101749.db2.gz MNLBWPXWBSWNOL-FUDKSRODSA-N 2 1 391.515 3.786 20 0 GHADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000646427933 914511130 /nfs/dbraw/zinc/51/11/30/914511130.db2.gz IOBUVTVCQLQMMJ-MOPGFXCFSA-N 2 1 397.485 3.516 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000886634651 901200343 /nfs/dbraw/zinc/20/03/43/901200343.db2.gz JFAGHQZQTMFJHW-SZMVWBNQSA-N 2 1 376.426 3.638 20 0 GHADMP FC(F)(F)c1ncc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000886634651 901200358 /nfs/dbraw/zinc/20/03/58/901200358.db2.gz JFAGHQZQTMFJHW-SZMVWBNQSA-N 2 1 376.426 3.638 20 0 GHADMP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000575375985 901221152 /nfs/dbraw/zinc/22/11/52/901221152.db2.gz HIOWLQUEZDDWGW-VXKWHMMOSA-N 2 1 383.580 3.799 20 0 GHADMP C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+][C@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)O2 ZINC000886769039 901262424 /nfs/dbraw/zinc/26/24/24/901262424.db2.gz NXONZCDQWNZYOX-IYGMGBCSSA-N 2 1 384.564 3.602 20 0 GHADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccccc1Oc1ccccc1 ZINC000575803432 901316084 /nfs/dbraw/zinc/31/60/84/901316084.db2.gz MZWUOUAZLSFKQQ-HSZRJFAPSA-N 2 1 379.504 3.883 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(OC)cc3F)CC2)cs1 ZINC000575874061 901416841 /nfs/dbraw/zinc/41/68/41/901416841.db2.gz NSHZQASYBJVMMZ-UHFFFAOYSA-N 2 1 377.529 3.855 20 0 GHADMP CCC(CC)(CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000576164847 901745577 /nfs/dbraw/zinc/74/55/77/901745577.db2.gz KXLZSWPYVOJRST-PXNSSMCTSA-N 2 1 382.552 3.780 20 0 GHADMP C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000576179500 901763207 /nfs/dbraw/zinc/76/32/07/901763207.db2.gz MXXURZMZQNRHNU-MUCKBHKGSA-N 2 1 396.600 3.955 20 0 GHADMP COC(=O)c1ccc([C@H](C)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)o1 ZINC000576550777 902090441 /nfs/dbraw/zinc/09/04/41/902090441.db2.gz BGKKIFHQRZCKII-HOTGVXAUSA-N 2 1 376.522 3.951 20 0 GHADMP C[C@H]1[C@@H](NC(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000576667043 902173034 /nfs/dbraw/zinc/17/30/34/902173034.db2.gz ARKXCSADPAKYHB-RXVVDRJESA-N 2 1 380.536 3.575 20 0 GHADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000576703104 902203085 /nfs/dbraw/zinc/20/30/85/902203085.db2.gz APZVXDKBWVGYFZ-QKLQHJQFSA-N 2 1 378.944 3.719 20 0 GHADMP COc1ccc(Oc2ccc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2)cc1 ZINC000576703659 902204124 /nfs/dbraw/zinc/20/41/24/902204124.db2.gz LQMBJFAXUPSBHQ-IBGZPJMESA-N 2 1 382.504 3.675 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000290331486 914632016 /nfs/dbraw/zinc/63/20/16/914632016.db2.gz DSVNAOQOKCZHOI-UHFFFAOYSA-N 2 1 386.503 3.961 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000290331486 914632025 /nfs/dbraw/zinc/63/20/25/914632025.db2.gz DSVNAOQOKCZHOI-UHFFFAOYSA-N 2 1 386.503 3.961 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCCC[NH+]3CCCC3)C2)s1 ZINC000846101687 902714500 /nfs/dbraw/zinc/71/45/00/902714500.db2.gz LECPUIRAWNSNCV-IBGZPJMESA-N 2 1 377.598 3.603 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000779016169 902880629 /nfs/dbraw/zinc/88/06/29/902880629.db2.gz ZNEVRGCEJQIZLY-BWAGFHJFSA-N 2 1 399.579 3.854 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000846821631 903241075 /nfs/dbraw/zinc/24/10/75/903241075.db2.gz UAXNHRDOGZGYHZ-RBUKOAKNSA-N 2 1 376.545 3.607 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000846821631 903241090 /nfs/dbraw/zinc/24/10/90/903241090.db2.gz UAXNHRDOGZGYHZ-RBUKOAKNSA-N 2 1 376.545 3.607 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccncc1F ZINC000577968655 903397272 /nfs/dbraw/zinc/39/72/72/903397272.db2.gz ZGOICDAYOQYQCH-ICSRJNTNSA-N 2 1 383.511 3.800 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccncc1F ZINC000577968655 903397280 /nfs/dbraw/zinc/39/72/80/903397280.db2.gz ZGOICDAYOQYQCH-ICSRJNTNSA-N 2 1 383.511 3.800 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(-c4ncc[nH]4)ccc3C)CC2)CC1 ZINC000578246636 903649611 /nfs/dbraw/zinc/64/96/11/903649611.db2.gz XARIATRBIFDYJQ-UHFFFAOYSA-N 2 1 395.551 3.520 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC12CCOCC2 ZINC000578506634 903915147 /nfs/dbraw/zinc/91/51/47/903915147.db2.gz TUFQSHJKVRJQAJ-ILHLOOHCSA-N 2 1 392.543 3.966 20 0 GHADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000578519120 903928282 /nfs/dbraw/zinc/92/82/82/903928282.db2.gz PKVUQKYJRDIOAO-UHFFFAOYSA-N 2 1 388.474 3.689 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000646681446 914771246 /nfs/dbraw/zinc/77/12/46/914771246.db2.gz YTPOWVIIWGSQQX-FYYLOGMGSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646681446 914771251 /nfs/dbraw/zinc/77/12/51/914771251.db2.gz YTPOWVIIWGSQQX-FYYLOGMGSA-N 2 1 385.596 3.712 20 0 GHADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646681446 914771256 /nfs/dbraw/zinc/77/12/56/914771256.db2.gz YTPOWVIIWGSQQX-FYYLOGMGSA-N 2 1 385.596 3.712 20 0 GHADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1)C2 ZINC000290682642 914784367 /nfs/dbraw/zinc/78/43/67/914784367.db2.gz DVFHTLKADXEMAU-YYWHXJBOSA-N 2 1 382.552 3.636 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(Cl)c(F)c1 ZINC000773142627 904479903 /nfs/dbraw/zinc/47/99/03/904479903.db2.gz YUNJYHUNSYBFCJ-OAQYLSRUSA-N 2 1 376.903 3.809 20 0 GHADMP c1[nH+]c(C2C[NH2+]C2)c2ccc(NCCc3ccc(OCc4ccccn4)cc3)cn12 ZINC001171426713 904579939 /nfs/dbraw/zinc/57/99/39/904579939.db2.gz XJYXPXUDOXYVBW-UHFFFAOYSA-N 2 1 399.498 3.650 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000579490681 904648311 /nfs/dbraw/zinc/64/83/11/904648311.db2.gz DRIBPKUAEDQMDR-UHFFFAOYSA-N 2 1 393.522 3.512 20 0 GHADMP Cc1cccc2c1CC[C@@H]([NH+]1CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC1)C2 ZINC001171573766 904843382 /nfs/dbraw/zinc/84/33/82/904843382.db2.gz YBFRFINEFQGIJW-JOCHJYFZSA-N 2 1 378.564 3.716 20 0 GHADMP Cc1cccc2c1CC[C@@H]([NH+]1CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC1)C2 ZINC001171573766 904843390 /nfs/dbraw/zinc/84/33/90/904843390.db2.gz YBFRFINEFQGIJW-JOCHJYFZSA-N 2 1 378.564 3.716 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C[C@H]1C(C)(C)C ZINC001171614402 904877753 /nfs/dbraw/zinc/87/77/53/904877753.db2.gz BBQVZONMVAIUSZ-OALUTQOASA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)CC1(C)C ZINC001171637388 904925300 /nfs/dbraw/zinc/92/53/00/904925300.db2.gz LWQLGLNUKUFVQA-UHFFFAOYSA-N 2 1 379.552 3.591 20 0 GHADMP Cc1ccc(O[C@H]2C[C@@H]3CN(C4CC(C)(C)[NH+](C)C(C)(C)C4)CC[N@H+]3C2)cc1 ZINC001171638227 904927944 /nfs/dbraw/zinc/92/79/44/904927944.db2.gz XSWPKMVTWWPTLL-KNQAVFIVSA-N 2 1 385.596 3.784 20 0 GHADMP C[C@@H]1C[C@H](N(c2ccccc2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C[N@H+]1Cc1ccccc1 ZINC001171752030 904980436 /nfs/dbraw/zinc/98/04/36/904980436.db2.gz PJABPNPDWPJSQO-OCFYOKIWSA-N 2 1 391.559 3.677 20 0 GHADMP CCC[NH2+][C@H]1CCc2c(sc(=N)n2[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC001171760829 904995571 /nfs/dbraw/zinc/99/55/71/904995571.db2.gz AQSVTEDXLKNSNE-NZSAHSFTSA-N 2 1 384.593 3.721 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3[C@@H](CC[NH+]3Cc3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001171762922 904999725 /nfs/dbraw/zinc/99/97/25/904999725.db2.gz NJLHZZDVVMSKHZ-OCFYOKIWSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171762922 904999729 /nfs/dbraw/zinc/99/97/29/904999729.db2.gz NJLHZZDVVMSKHZ-OCFYOKIWSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)C[NH+]1Cc1ccccc1 ZINC001171762922 904999732 /nfs/dbraw/zinc/99/97/32/904999732.db2.gz NJLHZZDVVMSKHZ-OCFYOKIWSA-N 2 1 375.560 3.856 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)CN1Cc1ccccc1 ZINC001171737057 905021557 /nfs/dbraw/zinc/02/15/57/905021557.db2.gz AMZUVNNDCKOGSS-ZNEWLNCYSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@@H+]1Cc1ccccc1 ZINC001171737057 905021577 /nfs/dbraw/zinc/02/15/77/905021577.db2.gz AMZUVNNDCKOGSS-ZNEWLNCYSA-N 2 1 378.564 3.817 20 0 GHADMP C[C@H]1C[C@@H](N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC001171737057 905021595 /nfs/dbraw/zinc/02/15/95/905021595.db2.gz AMZUVNNDCKOGSS-ZNEWLNCYSA-N 2 1 378.564 3.817 20 0 GHADMP CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001171875111 905079132 /nfs/dbraw/zinc/07/91/32/905079132.db2.gz CBECIBIAOHEWLR-ILBGXUMGSA-N 2 1 393.575 3.893 20 0 GHADMP COc1cc(O[C@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991035 905202073 /nfs/dbraw/zinc/20/20/73/905202073.db2.gz QNVIJCHIEWTUHO-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991035 905202089 /nfs/dbraw/zinc/20/20/89/905202089.db2.gz QNVIJCHIEWTUHO-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)ccn1 ZINC001171991035 905202101 /nfs/dbraw/zinc/20/21/01/905202101.db2.gz QNVIJCHIEWTUHO-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC001171980551 905232152 /nfs/dbraw/zinc/23/21/52/905232152.db2.gz VRXNKSUQHIPJIM-LJQANCHMSA-N 2 1 379.504 3.550 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC001171980551 905232171 /nfs/dbraw/zinc/23/21/71/905232171.db2.gz VRXNKSUQHIPJIM-LJQANCHMSA-N 2 1 379.504 3.550 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171987421 905247934 /nfs/dbraw/zinc/24/79/34/905247934.db2.gz VCWLDNVQNPVLES-HBMCJLEFSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171987421 905247948 /nfs/dbraw/zinc/24/79/48/905247948.db2.gz VCWLDNVQNPVLES-HBMCJLEFSA-N 2 1 399.579 3.981 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C[C@@H]21 ZINC001171987421 905247962 /nfs/dbraw/zinc/24/79/62/905247962.db2.gz VCWLDNVQNPVLES-HBMCJLEFSA-N 2 1 399.579 3.981 20 0 GHADMP CCC1=NC2(CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)CC2)C(=O)N1C ZINC001171987162 905248984 /nfs/dbraw/zinc/24/89/84/905248984.db2.gz PXMCGDHLOKBFDI-HXUWFJFHSA-N 2 1 396.579 3.545 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H]([NH+]2CCC(Oc4ncccn4)CC2)C3)cc1 ZINC001172074240 905281254 /nfs/dbraw/zinc/28/12/54/905281254.db2.gz GNPFBYHFXUAVRR-KOUNCHBCSA-N 2 1 392.547 3.906 20 0 GHADMP Cc1cncnc1O[C@H]1CC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172088822 905304382 /nfs/dbraw/zinc/30/43/82/905304382.db2.gz OPVUWGFSERFZJG-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172088822 905304411 /nfs/dbraw/zinc/30/44/11/905304411.db2.gz OPVUWGFSERFZJG-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172088822 905304425 /nfs/dbraw/zinc/30/44/25/905304425.db2.gz OPVUWGFSERFZJG-BJESRGMDSA-N 2 1 392.547 3.824 20 0 GHADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1OCc1c(C)noc1C ZINC000174598610 905306260 /nfs/dbraw/zinc/30/62/60/905306260.db2.gz SVSVFKNTXMPEHB-IHWFROFDSA-N 2 1 399.535 3.984 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001172109028 905357749 /nfs/dbraw/zinc/35/77/49/905357749.db2.gz AHWZIZNNZBSICY-REPLKXPHSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C3CCN(C(=O)OC(C)(C)C)CC3)CC1)C2 ZINC001172109028 905357769 /nfs/dbraw/zinc/35/77/69/905357769.db2.gz AHWZIZNNZBSICY-REPLKXPHSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3Cc4ccc(F)cc4C3=O)CC1)C2 ZINC001172112307 905359227 /nfs/dbraw/zinc/35/92/27/905359227.db2.gz UKZYGHLZHRMRRC-RSMWHSHJSA-N 2 1 385.527 3.698 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](N3Cc4ccc(F)cc4C3=O)CC1)C2 ZINC001172112307 905359250 /nfs/dbraw/zinc/35/92/50/905359250.db2.gz UKZYGHLZHRMRRC-RSMWHSHJSA-N 2 1 385.527 3.698 20 0 GHADMP COc1cc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc2ccccc21 ZINC001172113832 905362409 /nfs/dbraw/zinc/36/24/09/905362409.db2.gz MZCQTNBSDPCRQQ-QLIIJSOBSA-N 2 1 381.520 3.780 20 0 GHADMP COc1cc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc2ccccc21 ZINC001172113832 905362420 /nfs/dbraw/zinc/36/24/20/905362420.db2.gz MZCQTNBSDPCRQQ-QLIIJSOBSA-N 2 1 381.520 3.780 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116165 905368754 /nfs/dbraw/zinc/36/87/54/905368754.db2.gz JVWQOVHIOAKMMV-NAVOZUGXSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172116165 905368775 /nfs/dbraw/zinc/36/87/75/905368775.db2.gz JVWQOVHIOAKMMV-NAVOZUGXSA-N 2 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CCN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116165 905368795 /nfs/dbraw/zinc/36/87/95/905368795.db2.gz JVWQOVHIOAKMMV-NAVOZUGXSA-N 2 1 397.607 3.757 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116165 905368809 /nfs/dbraw/zinc/36/88/09/905368809.db2.gz JVWQOVHIOAKMMV-NAVOZUGXSA-N 3 1 397.607 3.757 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116165 905368825 /nfs/dbraw/zinc/36/88/25/905368825.db2.gz JVWQOVHIOAKMMV-NAVOZUGXSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172116165 905368843 /nfs/dbraw/zinc/36/88/43/905368843.db2.gz JVWQOVHIOAKMMV-NAVOZUGXSA-N 3 1 397.607 3.757 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116165 905368859 /nfs/dbraw/zinc/36/88/59/905368859.db2.gz JVWQOVHIOAKMMV-NAVOZUGXSA-N 3 1 397.607 3.757 20 0 GHADMP COCCN(C)[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001172115745 905368897 /nfs/dbraw/zinc/36/88/97/905368897.db2.gz ZUYXDLQMLXUAAH-MXEMCNAFSA-N 2 1 379.976 3.564 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172120023 905379403 /nfs/dbraw/zinc/37/94/03/905379403.db2.gz IXRNPVGGVSCYRO-BWTSREIZSA-N 2 1 377.573 3.725 20 0 GHADMP CCCCCC[C@@H](CCC)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001172387298 905546397 /nfs/dbraw/zinc/54/63/97/905546397.db2.gz PUPSFZULUMURJL-OAQYLSRUSA-N 2 1 395.632 3.628 20 0 GHADMP COC(=O)c1cccc(C[N@@H+]([C@H](C)CCOC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172446028 905564262 /nfs/dbraw/zinc/56/42/62/905564262.db2.gz VFRHTMJVCWVBNG-DUXKGJEZSA-N 2 1 376.541 3.749 20 0 GHADMP C[NH+](C)CCOCc1ncn2c1C[N@H+]([C@@H]1CCC[C@@H](c3ccccc3)C1)CCC2 ZINC001172543890 905649332 /nfs/dbraw/zinc/64/93/32/905649332.db2.gz PCUFZLWTWCRSSV-FGZHOGPDSA-N 2 1 396.579 3.893 20 0 GHADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)NC(=O)OC(C)(C)C ZINC000801586000 921168161 /nfs/dbraw/zinc/16/81/61/921168161.db2.gz XQVMPCZEMVAMLO-HKUYNNGSSA-N 2 1 375.557 3.790 20 0 GHADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)NC(=O)OC(C)(C)C ZINC000801586000 921168170 /nfs/dbraw/zinc/16/81/70/921168170.db2.gz XQVMPCZEMVAMLO-HKUYNNGSSA-N 2 1 375.557 3.790 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172814072 905845793 /nfs/dbraw/zinc/84/57/93/905845793.db2.gz RIFIRYLXNBPEID-DFNIBXOVSA-N 2 1 398.551 3.635 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826511 905856478 /nfs/dbraw/zinc/85/64/78/905856478.db2.gz CITVDYVKAMKIDW-NZQKXSOJSA-N 2 1 384.564 3.592 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+]([C@@H]3CCc4ccc(C)cc4C3)CC2)C1 ZINC001172826511 905856494 /nfs/dbraw/zinc/85/64/94/905856494.db2.gz CITVDYVKAMKIDW-NZQKXSOJSA-N 2 1 384.564 3.592 20 0 GHADMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC001173073368 906167852 /nfs/dbraw/zinc/16/78/52/906167852.db2.gz NNOZPPOQLDKOPM-IEBWSBKVSA-N 2 1 388.556 3.736 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2CCC[C@H](c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001173112503 906201364 /nfs/dbraw/zinc/20/13/64/906201364.db2.gz BUTZAFONDMIMMT-MWXLCCTBSA-N 2 1 392.609 3.923 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001173113541 906202975 /nfs/dbraw/zinc/20/29/75/906202975.db2.gz SYYFJYRYWCQFFQ-OAHAVBBTSA-N 2 1 379.589 3.971 20 0 GHADMP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001173114308 906203531 /nfs/dbraw/zinc/20/35/31/906203531.db2.gz GDBNQBCVUSBZFR-VCAKUFKGSA-N 2 1 379.589 3.828 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173117617 906205522 /nfs/dbraw/zinc/20/55/22/906205522.db2.gz PJQSFBZKPJWUTB-AJTFCVKESA-N 2 1 388.552 3.811 20 0 GHADMP CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1C1CCC([NH+](CC)CC)CC1 ZINC001173117617 906205542 /nfs/dbraw/zinc/20/55/42/906205542.db2.gz PJQSFBZKPJWUTB-AJTFCVKESA-N 2 1 388.552 3.811 20 0 GHADMP COc1cccc2c1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CO2 ZINC001173145659 906232721 /nfs/dbraw/zinc/23/27/21/906232721.db2.gz SHZSHXRNADBZSQ-BURNTYAHSA-N 2 1 378.516 3.784 20 0 GHADMP COc1cccc2c1C[C@@H]([NH+]1CCN(c3cc(C)[nH+]c4ccccc43)CC1)CO2 ZINC001173153627 906241003 /nfs/dbraw/zinc/24/10/03/906241003.db2.gz ZWDGZRQNIZTRAS-GOSISDBHSA-N 2 1 389.499 3.678 20 0 GHADMP COc1cccc2c1C[C@@H]([NH+]1CCC([NH3+])(Cc3ccc(Cl)cc3)CC1)CO2 ZINC001173158694 906245188 /nfs/dbraw/zinc/24/51/88/906245188.db2.gz HWWNIMZILQAXFP-GOSISDBHSA-N 2 1 386.923 3.688 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173199014 906283303 /nfs/dbraw/zinc/28/33/03/906283303.db2.gz OWCWHBPZXMZZBN-CBWQTERSSA-N 2 1 394.559 3.849 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173199014 906283317 /nfs/dbraw/zinc/28/33/17/906283317.db2.gz OWCWHBPZXMZZBN-CBWQTERSSA-N 2 1 394.559 3.849 20 0 GHADMP CCc1ccc(C[C@@H](C)[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001173246385 906333978 /nfs/dbraw/zinc/33/39/78/906333978.db2.gz NUDCNCVDGABHHN-HXUWFJFHSA-N 2 1 380.580 3.921 20 0 GHADMP [NH3+]CCc1cn(C2CC[NH+](CC(=O)OCc3ccccc3)CC2)c2ccccc12 ZINC001173458103 906498208 /nfs/dbraw/zinc/49/82/08/906498208.db2.gz FZIPIMPSJBYXOG-UHFFFAOYSA-N 2 1 391.515 3.523 20 0 GHADMP CCc1sc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000365912913 921245629 /nfs/dbraw/zinc/24/56/29/921245629.db2.gz UBWVIAHVKCAGBD-UHFFFAOYSA-N 2 1 391.625 3.887 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173714047 906664219 /nfs/dbraw/zinc/66/42/19/906664219.db2.gz IXRXXRGFVBRVGF-ZPMCFJSWSA-N 2 1 381.520 3.571 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000180031892 906669311 /nfs/dbraw/zinc/66/93/11/906669311.db2.gz WJMWAWQBFSVBCH-DEOSSOPVSA-N 2 1 393.531 3.588 20 0 GHADMP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3ccccn3)cc2)CC1 ZINC000180472113 906777488 /nfs/dbraw/zinc/77/74/88/906777488.db2.gz XZTLHJZGIZWMQH-VWLOTQADSA-N 2 1 387.527 3.918 20 0 GHADMP CC(C)[N@H+]1CCO[C@H](Cn2cc(-c3ccc(C[NH+]4CCC[C@H]4C)cc3)cn2)C1 ZINC000629702350 906971810 /nfs/dbraw/zinc/97/18/10/906971810.db2.gz LWYNJUYHAXJHEH-XXBNENTESA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@H](Cn2cc(-c3ccc(C[N@@H+]4CCC[C@H]4C)cc3)cn2)C1 ZINC000629702350 906971823 /nfs/dbraw/zinc/97/18/23/906971823.db2.gz LWYNJUYHAXJHEH-XXBNENTESA-N 2 1 382.552 3.644 20 0 GHADMP CC(C)[NH+]1CCO[C@H](Cn2cc(-c3ccc(C[N@H+]4CCC[C@H]4C)cc3)cn2)C1 ZINC000629702350 906971834 /nfs/dbraw/zinc/97/18/34/906971834.db2.gz LWYNJUYHAXJHEH-XXBNENTESA-N 2 1 382.552 3.644 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000191512753 907046605 /nfs/dbraw/zinc/04/66/05/907046605.db2.gz COKZKRGFPAIOOI-QGZVFWFLSA-N 2 1 380.330 3.654 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000191512753 907046619 /nfs/dbraw/zinc/04/66/19/907046619.db2.gz COKZKRGFPAIOOI-QGZVFWFLSA-N 2 1 380.330 3.654 20 0 GHADMP C[NH+]1CCC(COc2ccccc2Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001174448479 907053521 /nfs/dbraw/zinc/05/35/21/907053521.db2.gz NUSIHYXBGFKVCX-UHFFFAOYSA-N 2 1 395.547 3.983 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000182264516 907173267 /nfs/dbraw/zinc/17/32/67/907173267.db2.gz LJUQEIOWUUPQSG-RBBKRZOGSA-N 2 1 378.516 3.789 20 0 GHADMP C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000186629154 907957893 /nfs/dbraw/zinc/95/78/93/907957893.db2.gz MOVITBLSXQPGTL-UZUQRXQVSA-N 2 1 396.510 3.940 20 0 GHADMP CCN1CC[NH+](Cc2ccc(Nc3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC001176228202 907994578 /nfs/dbraw/zinc/99/45/78/907994578.db2.gz ZMGKRPKOFSKNML-UHFFFAOYSA-N 2 1 382.552 3.508 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000187306789 908072364 /nfs/dbraw/zinc/07/23/64/908072364.db2.gz LLMCOIMDKSYKMA-PKTZIBPZSA-N 2 1 395.547 3.615 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000633954548 908556249 /nfs/dbraw/zinc/55/62/49/908556249.db2.gz BVQJIYKFYZEDST-UHFFFAOYSA-N 2 1 394.563 3.636 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000633954548 908556260 /nfs/dbraw/zinc/55/62/60/908556260.db2.gz BVQJIYKFYZEDST-UHFFFAOYSA-N 2 1 394.563 3.636 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(Br)o3)CC2)oc1C ZINC000191010768 908557941 /nfs/dbraw/zinc/55/79/41/908557941.db2.gz CLPGHHOCHFGWQS-UHFFFAOYSA-N 2 1 382.302 3.649 20 0 GHADMP COCc1cccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000266182601 909029328 /nfs/dbraw/zinc/02/93/28/909029328.db2.gz GOXONFAIDVLLKY-UHFFFAOYSA-N 2 1 398.547 3.612 20 0 GHADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1)C1CCCCC1 ZINC000634954968 909090502 /nfs/dbraw/zinc/09/05/02/909090502.db2.gz TZUIRXJLGYJISZ-FQEVSTJZSA-N 2 1 378.582 3.508 20 0 GHADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000635006424 909099287 /nfs/dbraw/zinc/09/92/87/909099287.db2.gz YIVRDFKRSWWNAD-LIRRHRJNSA-N 2 1 380.458 3.821 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001180194542 910029961 /nfs/dbraw/zinc/02/99/61/910029961.db2.gz GNVRLMXHNKKKSX-OFVILXPXSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@H](C(=O)NC3CC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001180194542 910029972 /nfs/dbraw/zinc/02/99/72/910029972.db2.gz GNVRLMXHNKKKSX-OFVILXPXSA-N 2 1 397.607 3.915 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CCC[C@H](C(=O)NC3CC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180194542 910029980 /nfs/dbraw/zinc/02/99/80/910029980.db2.gz GNVRLMXHNKKKSX-OFVILXPXSA-N 2 1 397.607 3.915 20 0 GHADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1SC(F)F ZINC000268841611 910041122 /nfs/dbraw/zinc/04/11/22/910041122.db2.gz ATDAIZWWADVLFR-HOCLYGCPSA-N 2 1 388.524 3.897 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(COC)c2)[C@@H](C)C1 ZINC000268915587 910068895 /nfs/dbraw/zinc/06/88/95/910068895.db2.gz NZZPUOQGNPOKCY-WFXMLNOXSA-N 2 1 378.557 3.629 20 0 GHADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000638289698 910106457 /nfs/dbraw/zinc/10/64/57/910106457.db2.gz AGYPKPMPAIAPEH-MOPGFXCFSA-N 2 1 380.374 3.658 20 0 GHADMP CC[NH+](CC)CC(=O)N(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180389516 910109235 /nfs/dbraw/zinc/10/92/35/910109235.db2.gz KYFNIZNHUOGKPJ-HSZRJFAPSA-N 2 1 379.548 3.632 20 0 GHADMP C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccc(F)c1F ZINC000638313525 910115296 /nfs/dbraw/zinc/11/52/96/910115296.db2.gz XQEXATWCZHRDCX-MRXNPFEDSA-N 2 1 387.474 3.526 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638364795 910133795 /nfs/dbraw/zinc/13/37/95/910133795.db2.gz QFMFWVQWGCAZMN-UNMCSNQZSA-N 2 1 383.580 3.981 20 0 GHADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638364795 910133809 /nfs/dbraw/zinc/13/38/09/910133809.db2.gz QFMFWVQWGCAZMN-UNMCSNQZSA-N 2 1 383.580 3.981 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638487861 910164996 /nfs/dbraw/zinc/16/49/96/910164996.db2.gz BQTYUSGWJXYKCV-JTHBVZDNSA-N 2 1 398.572 3.689 20 0 GHADMP CS(=O)(=O)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638487861 910165010 /nfs/dbraw/zinc/16/50/10/910165010.db2.gz BQTYUSGWJXYKCV-JTHBVZDNSA-N 2 1 398.572 3.689 20 0 GHADMP CC(=O)N(c1nc(C[NH2+]CC2CC[NH+](C)CC2)cs1)c1cccc(Cl)c1 ZINC000638566590 910193089 /nfs/dbraw/zinc/19/30/89/910193089.db2.gz AGVMTZXXPQNCMZ-UHFFFAOYSA-N 2 1 392.956 3.913 20 0 GHADMP CN1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C[C@H]1c1ccc(Br)cc1 ZINC000638588289 910197135 /nfs/dbraw/zinc/19/71/35/910197135.db2.gz KQCFFKGEJJLLRN-MNEFBYGVSA-N 2 1 380.374 3.516 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638671253 910209343 /nfs/dbraw/zinc/20/93/43/910209343.db2.gz WJQZZZUETVNPGG-FPOVZHCZSA-N 2 1 381.520 3.666 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638671253 910209361 /nfs/dbraw/zinc/20/93/61/910209361.db2.gz WJQZZZUETVNPGG-FPOVZHCZSA-N 2 1 381.520 3.666 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638671254 910209437 /nfs/dbraw/zinc/20/94/37/910209437.db2.gz WJQZZZUETVNPGG-PZJWPPBQSA-N 2 1 381.520 3.666 20 0 GHADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638671254 910209453 /nfs/dbraw/zinc/20/94/53/910209453.db2.gz WJQZZZUETVNPGG-PZJWPPBQSA-N 2 1 381.520 3.666 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3ccc4ccc(F)c(F)c4n3)CC2)nc(C)[nH+]1 ZINC000638874554 910262855 /nfs/dbraw/zinc/26/28/55/910262855.db2.gz VMNVIBSFSUXSAN-UHFFFAOYSA-N 2 1 383.446 3.678 20 0 GHADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1ccc(Br)cc1 ZINC000639250150 910364418 /nfs/dbraw/zinc/36/44/18/910364418.db2.gz UOEYCIGGNLRVJO-FCFHUKJJSA-N 2 1 392.385 3.799 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c[nH]1 ZINC000639351583 910397115 /nfs/dbraw/zinc/39/71/15/910397115.db2.gz HVTSGQWIKOGBBM-WQJYWUQFSA-N 2 1 379.504 3.575 20 0 GHADMP O=c1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c[nH]1 ZINC000639351583 910397129 /nfs/dbraw/zinc/39/71/29/910397129.db2.gz HVTSGQWIKOGBBM-WQJYWUQFSA-N 2 1 379.504 3.575 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC001181244132 910625426 /nfs/dbraw/zinc/62/54/26/910625426.db2.gz NATYMAWXTAOANA-YLJYHZDGSA-N 2 1 378.582 3.613 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC001181489457 910792802 /nfs/dbraw/zinc/79/28/02/910792802.db2.gz ZWZPVSGJVZRBMS-SFHVURJKSA-N 2 1 384.520 3.711 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)CC1 ZINC001182244228 911326325 /nfs/dbraw/zinc/32/63/25/911326325.db2.gz ILQWYQGLQBCRGH-QHCPKHFHSA-N 2 1 379.548 3.850 20 0 GHADMP CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)CC1 ZINC001182244228 911326347 /nfs/dbraw/zinc/32/63/47/911326347.db2.gz ILQWYQGLQBCRGH-QHCPKHFHSA-N 2 1 379.548 3.850 20 0 GHADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)Cc2ccccc2)C1 ZINC001182241012 911364450 /nfs/dbraw/zinc/36/44/50/911364450.db2.gz NYLUTFHONORIOH-PKTZIBPZSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)Cc2ccccc2)C1 ZINC001182241012 911364472 /nfs/dbraw/zinc/36/44/72/911364472.db2.gz NYLUTFHONORIOH-PKTZIBPZSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)C1 ZINC001182241012 911364495 /nfs/dbraw/zinc/36/44/95/911364495.db2.gz NYLUTFHONORIOH-PKTZIBPZSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)C1 ZINC001182241012 911364517 /nfs/dbraw/zinc/36/45/17/911364517.db2.gz NYLUTFHONORIOH-PKTZIBPZSA-N 2 1 379.548 3.801 20 0 GHADMP O=C1OCCN1c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000774132748 911434522 /nfs/dbraw/zinc/43/45/22/911434522.db2.gz BAFHDEAKJWKYDJ-MUSUJDOFSA-N 2 1 391.515 3.928 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276533 911441484 /nfs/dbraw/zinc/44/14/84/911441484.db2.gz WWIKADUWMHTBSF-YPAWHYETSA-N 2 1 383.580 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276533 911441495 /nfs/dbraw/zinc/44/14/95/911441495.db2.gz WWIKADUWMHTBSF-YPAWHYETSA-N 2 1 383.580 3.735 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283276533 911441503 /nfs/dbraw/zinc/44/15/03/911441503.db2.gz WWIKADUWMHTBSF-YPAWHYETSA-N 2 1 383.580 3.735 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC001182339905 911508923 /nfs/dbraw/zinc/50/89/23/911508923.db2.gz CCOJDJIAIPYBJS-QHCPKHFHSA-N 2 1 379.548 3.585 20 0 GHADMP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001182345273 911517399 /nfs/dbraw/zinc/51/73/99/911517399.db2.gz KQBRLBXTOLWUGV-HSZRJFAPSA-N 2 1 392.547 3.692 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000774389881 911731938 /nfs/dbraw/zinc/73/19/38/911731938.db2.gz CLAMFEXEPFCJQX-ZRBLBEILSA-N 2 1 384.564 3.810 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CCC[C@@H](n3ccnn3)C2)CC[NH+](Cc2ccccc2)C1 ZINC001182471458 911790425 /nfs/dbraw/zinc/79/04/25/911790425.db2.gz XZZLKOLNAYVUKO-FYYLOGMGSA-N 2 1 381.568 3.853 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000284285555 911813782 /nfs/dbraw/zinc/81/37/82/911813782.db2.gz XPGYXXNHFSRYHF-SFHVURJKSA-N 2 1 387.568 3.539 20 0 GHADMP CC(C)N(C(=O)[C@@H]1CC(F)(F)CC[N@H+]1[C@H](C)c1ccccc1)C(C)(C)C[NH3+] ZINC001187037153 915009595 /nfs/dbraw/zinc/00/95/95/915009595.db2.gz KORGBEAYELWVQM-AEFFLSMTSA-N 2 1 381.511 3.822 20 0 GHADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1OC(F)F ZINC000647248746 915104783 /nfs/dbraw/zinc/10/47/83/915104783.db2.gz ZLABBKHQBWDCDZ-MSOLQXFVSA-N 2 1 376.447 3.732 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647343919 915164853 /nfs/dbraw/zinc/16/48/53/915164853.db2.gz FVMJMDLIKUFNPS-PERKRYKHSA-N 2 1 381.520 3.650 20 0 GHADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343919 915164857 /nfs/dbraw/zinc/16/48/57/915164857.db2.gz FVMJMDLIKUFNPS-PERKRYKHSA-N 2 1 381.520 3.650 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000647544333 915320472 /nfs/dbraw/zinc/32/04/72/915320472.db2.gz ZAVKZJGJMBYQSV-SJORKVTESA-N 2 1 386.458 3.848 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](Cc4cncc5ccccc54)CC3)C2)cc1 ZINC000796382034 915327137 /nfs/dbraw/zinc/32/71/37/915327137.db2.gz HASKWDKFQXICOU-XMMPIXPASA-N 2 1 386.543 3.627 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4cncc5ccccc54)CC3)C2)cc1 ZINC000796382034 915327156 /nfs/dbraw/zinc/32/71/56/915327156.db2.gz HASKWDKFQXICOU-XMMPIXPASA-N 2 1 386.543 3.627 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]21 ZINC000647907954 915433959 /nfs/dbraw/zinc/43/39/59/915433959.db2.gz XDFZFPGAJWKGEK-RJSMDTJLSA-N 2 1 397.950 3.605 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]21 ZINC000647907954 915433967 /nfs/dbraw/zinc/43/39/67/915433967.db2.gz XDFZFPGAJWKGEK-RJSMDTJLSA-N 2 1 397.950 3.605 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000647977210 915460510 /nfs/dbraw/zinc/46/05/10/915460510.db2.gz ZKPULEQIAOVTCP-RAUXBKROSA-N 2 1 383.536 3.710 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000466837164 915622702 /nfs/dbraw/zinc/62/27/02/915622702.db2.gz WUCXWIBYMZGVCI-IEBWSBKVSA-N 2 1 392.613 3.527 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000648483491 915715484 /nfs/dbraw/zinc/71/54/84/915715484.db2.gz DQIVUECPTHIJIE-AUSIDOKSSA-N 2 1 383.580 3.605 20 0 GHADMP CCc1nccn1[C@H](C)CC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648804245 915886483 /nfs/dbraw/zinc/88/64/83/915886483.db2.gz AFQBXALIOZKCEI-CTNGQTDRSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648804245 915886495 /nfs/dbraw/zinc/88/64/95/915886495.db2.gz AFQBXALIOZKCEI-CTNGQTDRSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648804245 915886506 /nfs/dbraw/zinc/88/65/06/915886506.db2.gz AFQBXALIOZKCEI-CTNGQTDRSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000648805371 915888773 /nfs/dbraw/zinc/88/87/73/915888773.db2.gz SUXWFNSCKDVYSR-ROUUACIJSA-N 2 1 384.524 3.756 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000648805371 915888790 /nfs/dbraw/zinc/88/87/90/915888790.db2.gz SUXWFNSCKDVYSR-ROUUACIJSA-N 2 1 384.524 3.756 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000649378536 916129494 /nfs/dbraw/zinc/12/94/94/916129494.db2.gz GSXMYROUMIWFEK-IBGZPJMESA-N 2 1 386.584 3.529 20 0 GHADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000775206987 916283831 /nfs/dbraw/zinc/28/38/31/916283831.db2.gz ZSKAYKVHGZPCQP-GOSISDBHSA-N 2 1 389.540 3.880 20 0 GHADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000650417900 916971260 /nfs/dbraw/zinc/97/12/60/916971260.db2.gz GVCDDLNLROGFMV-VQTJNVASSA-N 2 1 388.581 3.623 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295081690 917130076 /nfs/dbraw/zinc/13/00/76/917130076.db2.gz SCYZNEWGCBSWCG-OHRKKDJYSA-N 2 1 385.430 3.517 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Cc3cccc(F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001190373451 917308708 /nfs/dbraw/zinc/30/87/08/917308708.db2.gz AHVUVVFGXQWEEZ-XMMPIXPASA-N 2 1 382.523 3.717 20 0 GHADMP O[C@@]1(C[NH+]2CCC(Cc3cccc(F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001190373451 917308721 /nfs/dbraw/zinc/30/87/21/917308721.db2.gz AHVUVVFGXQWEEZ-XMMPIXPASA-N 2 1 382.523 3.717 20 0 GHADMP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cs2)c1 ZINC000652363087 917883262 /nfs/dbraw/zinc/88/32/62/917883262.db2.gz XPCQWFMTGGLQMX-DBVUQKKJSA-N 2 1 387.549 3.680 20 0 GHADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(SCC[NH+]3CCCC3)cc1)CC2 ZINC000652870962 918045073 /nfs/dbraw/zinc/04/50/73/918045073.db2.gz SBSDCJXJODMLIS-KRWDZBQOSA-N 2 1 384.549 3.581 20 0 GHADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653153396 918144612 /nfs/dbraw/zinc/14/46/12/918144612.db2.gz OHBNXDUANYZTBD-RTBURBONSA-N 2 1 396.362 3.605 20 0 GHADMP Brc1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)c1 ZINC000298259354 920349222 /nfs/dbraw/zinc/34/92/22/920349222.db2.gz FKSLUANRKPRDTJ-UHFFFAOYSA-N 2 1 393.369 3.714 20 0 GHADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000365099398 920378717 /nfs/dbraw/zinc/37/87/17/920378717.db2.gz LHUCGNQFWUYFJJ-QHCPKHFHSA-N 2 1 391.559 3.537 20 0 GHADMP CNc1ccccc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000902183814 921961854 /nfs/dbraw/zinc/96/18/54/921961854.db2.gz KRINEIGROXSCHK-UHFFFAOYSA-N 2 1 383.536 3.508 20 0 GHADMP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H](c2ccccc2)c2cccc(S(C)(=O)=O)c2)C1 ZINC000902333825 922097361 /nfs/dbraw/zinc/09/73/61/922097361.db2.gz OWXCDRZFDXGLDL-CTNGQTDRSA-N 2 1 386.561 3.547 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000367597448 922221230 /nfs/dbraw/zinc/22/12/30/922221230.db2.gz RUIOCPPCWYXDPR-CZGNIMDHSA-N 2 1 396.535 3.667 20 0 GHADMP c1ccc(CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c2cccnc2)cc1 ZINC000902808239 922510077 /nfs/dbraw/zinc/51/00/77/922510077.db2.gz GKNXJENQSLFKSK-URXFXBBRSA-N 2 1 379.548 3.846 20 0 GHADMP Cc1ccc(CCC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000368165623 922511057 /nfs/dbraw/zinc/51/10/57/922511057.db2.gz RXDPSKKXLWJPGW-UHFFFAOYSA-N 2 1 391.625 3.644 20 0 GHADMP COc1ccccc1-c1noc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000368434278 922670773 /nfs/dbraw/zinc/67/07/73/922670773.db2.gz ORYBRNUOJCJTPD-GOSISDBHSA-N 2 1 384.524 3.799 20 0 GHADMP COc1ccccc1-c1noc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000368434278 922670781 /nfs/dbraw/zinc/67/07/81/922670781.db2.gz ORYBRNUOJCJTPD-GOSISDBHSA-N 2 1 384.524 3.799 20 0 GHADMP C[C@]1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368530328 922731095 /nfs/dbraw/zinc/73/10/95/922731095.db2.gz KXTDJQQNAFYZAI-XMMPIXPASA-N 2 1 378.564 3.548 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147297 922808562 /nfs/dbraw/zinc/80/85/62/922808562.db2.gz GVLQKHUFWOGWRK-XUZZJYLKSA-N 2 1 398.522 3.650 20 0 GHADMP COc1ccccc1-c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000370709941 924270119 /nfs/dbraw/zinc/27/01/19/924270119.db2.gz LABPMOKQPGUGNA-YKSBVNFPSA-N 2 1 393.575 3.820 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1)CC(C)C ZINC000678672893 924881220 /nfs/dbraw/zinc/88/12/20/924881220.db2.gz LAPMKGBQQGEQMB-LJQANCHMSA-N 2 1 380.621 3.506 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3ccc(-n4ccnn4)cc3)C[C@@H]21 ZINC001137364977 925040754 /nfs/dbraw/zinc/04/07/54/925040754.db2.gz ACUKGQLMNQOLBI-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(-n4ccnn4)cc3)C[C@@H]21 ZINC001137364977 925040763 /nfs/dbraw/zinc/04/07/63/925040763.db2.gz ACUKGQLMNQOLBI-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(-n4ccnn4)cc3)C[C@@H]21 ZINC001137364977 925040773 /nfs/dbraw/zinc/04/07/73/925040773.db2.gz ACUKGQLMNQOLBI-HJOGWXRNSA-N 2 1 387.531 3.878 20 0 GHADMP C[N@H+](Cc1ccc(-n2ccnn2)cc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001137368437 925074158 /nfs/dbraw/zinc/07/41/58/925074158.db2.gz SRXFYXIEHRMBBZ-UHFFFAOYSA-N 2 1 375.520 3.611 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c[nH]c3ncccc13)CC2 ZINC001137399027 925378225 /nfs/dbraw/zinc/37/82/25/925378225.db2.gz ICEJUHVGEODCNW-GOSISDBHSA-N 2 1 396.560 3.880 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCCNc1ccccn1 ZINC000410355219 925558967 /nfs/dbraw/zinc/55/89/67/925558967.db2.gz QFTRUABWLQGBAK-IBGZPJMESA-N 2 1 395.551 3.757 20 0 GHADMP CC(CC[NH+]1CCC[C@H]1CN1CCCC1)CC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000411226957 926216782 /nfs/dbraw/zinc/21/67/82/926216782.db2.gz OGJNIKHUEUOLAJ-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CCC[C@H]1C[NH+]1CCCC1)CC[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000411226957 926216797 /nfs/dbraw/zinc/21/67/97/926216797.db2.gz OGJNIKHUEUOLAJ-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP CC(CCN1CCC[C@H]1C[NH+]1CCCC1)CC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000411226957 926216800 /nfs/dbraw/zinc/21/68/00/926216800.db2.gz OGJNIKHUEUOLAJ-ZEQRLZLVSA-N 2 1 390.660 3.523 20 0 GHADMP O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411266014 926255452 /nfs/dbraw/zinc/25/54/52/926255452.db2.gz JOBBSAQFVIHREL-JOCHJYFZSA-N 2 1 381.520 3.546 20 0 GHADMP O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411266014 926255459 /nfs/dbraw/zinc/25/54/59/926255459.db2.gz JOBBSAQFVIHREL-JOCHJYFZSA-N 2 1 381.520 3.546 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 ZINC000411480474 926446667 /nfs/dbraw/zinc/44/66/67/926446667.db2.gz VWVKZRZPVOTRKN-QVKFZJNVSA-N 2 1 378.451 3.776 20 0 GHADMP CCOc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000411546590 926498332 /nfs/dbraw/zinc/49/83/32/926498332.db2.gz BABXJNZKIJGFRT-PZJWPPBQSA-N 2 1 395.547 3.914 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000752004835 928543970 /nfs/dbraw/zinc/54/39/70/928543970.db2.gz YVBQDHOXAPNJEX-ZEQRLZLVSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000752004835 928543982 /nfs/dbraw/zinc/54/39/82/928543982.db2.gz YVBQDHOXAPNJEX-ZEQRLZLVSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000752004835 928543989 /nfs/dbraw/zinc/54/39/89/928543989.db2.gz YVBQDHOXAPNJEX-ZEQRLZLVSA-N 2 1 392.543 3.889 20 0 GHADMP COC(=O)Cc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000752004835 928543994 /nfs/dbraw/zinc/54/39/94/928543994.db2.gz YVBQDHOXAPNJEX-ZEQRLZLVSA-N 2 1 392.543 3.889 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)[C@H](c2ccccc2)C1 ZINC000467315078 928950527 /nfs/dbraw/zinc/95/05/27/928950527.db2.gz YZPUBOHAAOWHBE-GOTSBHOMSA-N 2 1 382.527 3.640 20 0 GHADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000467338129 928973486 /nfs/dbraw/zinc/97/34/86/928973486.db2.gz IFBVYBSSFZHQCN-DNQXCXABSA-N 2 1 392.591 3.953 20 0 GHADMP C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000467412055 929045486 /nfs/dbraw/zinc/04/54/86/929045486.db2.gz GKTPFPUXRZWVDY-LIRRHRJNSA-N 2 1 380.891 3.804 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857689 929054875 /nfs/dbraw/zinc/05/48/75/929054875.db2.gz UCPXGNAEVVOKPF-PMACEKPBSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857689 929054879 /nfs/dbraw/zinc/05/48/79/929054879.db2.gz UCPXGNAEVVOKPF-PMACEKPBSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000752857689 929054889 /nfs/dbraw/zinc/05/48/89/929054889.db2.gz UCPXGNAEVVOKPF-PMACEKPBSA-N 2 1 386.584 3.668 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(-c3cnn(C)c3C)no2)CC1)CC(C)C ZINC000467455502 929088218 /nfs/dbraw/zinc/08/82/18/929088218.db2.gz IGVCCJATFBRMDM-UHFFFAOYSA-N 2 1 387.572 3.964 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000544370539 929099889 /nfs/dbraw/zinc/09/98/89/929099889.db2.gz GTLGBPTXKVMPER-KRWDZBQOSA-N 2 1 390.413 3.628 20 0 GHADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000467517140 929150096 /nfs/dbraw/zinc/15/00/96/929150096.db2.gz CZJDWZWLEJPRLT-UHFFFAOYSA-N 2 1 375.520 3.852 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000467517140 929150102 /nfs/dbraw/zinc/15/01/02/929150102.db2.gz CZJDWZWLEJPRLT-UHFFFAOYSA-N 2 1 375.520 3.852 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000467689362 929305272 /nfs/dbraw/zinc/30/52/72/929305272.db2.gz TWAGICHAQFHWII-WMZHIEFXSA-N 2 1 377.532 3.675 20 0 GHADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC4CCC5(CC4)OCCO5)C3)C2)cc1 ZINC000753734462 929507419 /nfs/dbraw/zinc/50/74/19/929507419.db2.gz YIBFWAWOAMSLKT-QHCPKHFHSA-N 2 1 384.564 3.908 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC4CCC5(CC4)OCCO5)C3)C2)cc1 ZINC000753734462 929507425 /nfs/dbraw/zinc/50/74/25/929507425.db2.gz YIBFWAWOAMSLKT-QHCPKHFHSA-N 2 1 384.564 3.908 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC4CCC5(CC4)OCCO5)C3)C2)cc1 ZINC000753734462 929507436 /nfs/dbraw/zinc/50/74/36/929507436.db2.gz YIBFWAWOAMSLKT-QHCPKHFHSA-N 2 1 384.564 3.908 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000757786573 929799241 /nfs/dbraw/zinc/79/92/41/929799241.db2.gz HSKRZKSINJWLDW-JXFKEZNVSA-N 2 1 381.524 3.659 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000757786573 929799244 /nfs/dbraw/zinc/79/92/44/929799244.db2.gz HSKRZKSINJWLDW-JXFKEZNVSA-N 2 1 381.524 3.659 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C[C@](C)(c3ccccn3)CC2=O)CC1 ZINC000758239523 929984240 /nfs/dbraw/zinc/98/42/40/929984240.db2.gz MRBOEHVHSZQLRC-HYBUGGRVSA-N 2 1 398.595 3.506 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C[C@](C)(c3ccccn3)CC2=O)CC1 ZINC000758239523 929984251 /nfs/dbraw/zinc/98/42/51/929984251.db2.gz MRBOEHVHSZQLRC-HYBUGGRVSA-N 2 1 398.595 3.506 20 0 GHADMP CCCOc1c(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000470023367 930322969 /nfs/dbraw/zinc/32/29/69/930322969.db2.gz AFHSXEHIJHESFS-XYPWUTKMSA-N 2 1 397.357 3.961 20 0 GHADMP CCCOc1c(Br)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000470023367 930322974 /nfs/dbraw/zinc/32/29/74/930322974.db2.gz AFHSXEHIJHESFS-XYPWUTKMSA-N 2 1 397.357 3.961 20 0 GHADMP Cc1ccc2[nH]c(C[NH2+][C@H](CN3CC[NH+](C)CC3)c3ccccc3)cc2c1C ZINC000546728646 930385939 /nfs/dbraw/zinc/38/59/39/930385939.db2.gz WHCCGKBAPBCNKJ-XMMPIXPASA-N 2 1 376.548 3.863 20 0 GHADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000470296567 930515601 /nfs/dbraw/zinc/51/56/01/930515601.db2.gz FEVSJGJZPFZWNP-QRVBRYPASA-N 2 1 387.568 3.576 20 0 GHADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1c(F)cccc1F ZINC000781423402 930840198 /nfs/dbraw/zinc/84/01/98/930840198.db2.gz PTGNIZLQLOETEB-MCEIDBOGSA-N 2 1 386.486 3.889 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccsc1 ZINC000470739457 930873995 /nfs/dbraw/zinc/87/39/95/930873995.db2.gz BBYXDSAVXTXUIK-QUCCMNQESA-N 2 1 392.613 3.504 20 0 GHADMP C[C@@H](CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000471090951 931144371 /nfs/dbraw/zinc/14/43/71/931144371.db2.gz OVFXYARRHWOYGN-HKUYNNGSSA-N 2 1 388.581 3.561 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000693672559 931200837 /nfs/dbraw/zinc/20/08/37/931200837.db2.gz QQIKTZOIJDXPOF-OTWHNJEPSA-N 2 1 382.470 3.988 20 0 GHADMP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000924529939 931411889 /nfs/dbraw/zinc/41/18/89/931411889.db2.gz UDDWVODHMWTTPR-UZUQRXQVSA-N 2 1 383.511 3.646 20 0 GHADMP O=C1OCCN1c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000783536912 931575322 /nfs/dbraw/zinc/57/53/22/931575322.db2.gz RLTCMXDZUDIRTC-UHFFFAOYSA-N 2 1 397.494 3.579 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1)C1CCOCC1 ZINC000924929525 931588640 /nfs/dbraw/zinc/58/86/40/931588640.db2.gz HIOASNQRCXGTKX-CZAFVFSZSA-N 2 1 390.593 3.692 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924965238 931597395 /nfs/dbraw/zinc/59/73/95/931597395.db2.gz HYPJZCPPNPXVPN-HSZRJFAPSA-N 2 1 378.520 3.534 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@@H]3CCCO)CC2)cs1 ZINC000925030870 931618352 /nfs/dbraw/zinc/61/83/52/931618352.db2.gz KRZKCONVBQGDTC-UYAOXDASSA-N 2 1 379.614 3.838 20 0 GHADMP CON1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925089512 931640796 /nfs/dbraw/zinc/64/07/96/931640796.db2.gz JZPDMNSFWOBXMT-VQIMIIECSA-N 2 1 385.474 3.704 20 0 GHADMP CON1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000925089512 931640803 /nfs/dbraw/zinc/64/08/03/931640803.db2.gz JZPDMNSFWOBXMT-VQIMIIECSA-N 2 1 385.474 3.704 20 0 GHADMP COc1ccccc1[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000925439054 931782584 /nfs/dbraw/zinc/78/25/84/931782584.db2.gz HRKFGGKBVGPZJK-SELNLUPBSA-N 2 1 383.536 3.659 20 0 GHADMP COc1ccccc1[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccn1 ZINC000925439054 931782587 /nfs/dbraw/zinc/78/25/87/931782587.db2.gz HRKFGGKBVGPZJK-SELNLUPBSA-N 2 1 383.536 3.659 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000558476904 932024728 /nfs/dbraw/zinc/02/47/28/932024728.db2.gz ZJABLCYBJZJVES-QGAVKGNSSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000558476904 932024736 /nfs/dbraw/zinc/02/47/36/932024736.db2.gz ZJABLCYBJZJVES-QGAVKGNSSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000558476904 932024738 /nfs/dbraw/zinc/02/47/38/932024738.db2.gz ZJABLCYBJZJVES-QGAVKGNSSA-N 2 1 383.580 3.618 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000558476904 932024749 /nfs/dbraw/zinc/02/47/49/932024749.db2.gz ZJABLCYBJZJVES-QGAVKGNSSA-N 2 1 383.580 3.618 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)c2ccc(F)cc2)CC1 ZINC000796706318 932037222 /nfs/dbraw/zinc/03/72/22/932037222.db2.gz ZUPJQHLRERGOOM-UHFFFAOYSA-N 2 1 383.511 3.588 20 0 GHADMP Cc1cc(N2CCC([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n[nH]1 ZINC000926241884 932095550 /nfs/dbraw/zinc/09/55/50/932095550.db2.gz ZMRCNGMADBNRRU-NOTZXAQLSA-N 2 1 393.579 3.862 20 0 GHADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000796976820 932133324 /nfs/dbraw/zinc/13/33/24/932133324.db2.gz FNLRJPUTUPEUSI-UZUQRXQVSA-N 2 1 379.504 3.580 20 0 GHADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000796976817 932133442 /nfs/dbraw/zinc/13/34/42/932133442.db2.gz FNLRJPUTUPEUSI-SBUREZEXSA-N 2 1 379.504 3.580 20 0 GHADMP Cn1nccc1[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000926538772 932221790 /nfs/dbraw/zinc/22/17/90/932221790.db2.gz ZVZWYMGCKAEAIR-OVHLRRFOSA-N 2 1 394.563 3.816 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000798108908 932534796 /nfs/dbraw/zinc/53/47/96/932534796.db2.gz JVWCAEMHZPMBFJ-AOMIVXANSA-N 2 1 390.616 3.880 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559268860 932566754 /nfs/dbraw/zinc/56/67/54/932566754.db2.gz KQCZTAMPFHDMQM-RBBKRZOGSA-N 2 1 399.604 3.987 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000559268860 932566758 /nfs/dbraw/zinc/56/67/58/932566758.db2.gz KQCZTAMPFHDMQM-RBBKRZOGSA-N 2 1 399.604 3.987 20 0 GHADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](C)Cc1ccccc1 ZINC000559268860 932566764 /nfs/dbraw/zinc/56/67/64/932566764.db2.gz KQCZTAMPFHDMQM-RBBKRZOGSA-N 2 1 399.604 3.987 20 0 GHADMP CCn1nc(C)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1C ZINC000559331228 932605423 /nfs/dbraw/zinc/60/54/23/932605423.db2.gz HEUGAOHXOJMNAE-QFIPXVFZSA-N 2 1 396.579 3.538 20 0 GHADMP CCCC[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395839 932628163 /nfs/dbraw/zinc/62/81/63/932628163.db2.gz KSHUVVGXMWZESB-NZQKXSOJSA-N 2 1 398.551 3.982 20 0 GHADMP CCCC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C)on1 ZINC000798395839 932628168 /nfs/dbraw/zinc/62/81/68/932628168.db2.gz KSHUVVGXMWZESB-NZQKXSOJSA-N 2 1 398.551 3.982 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000799029595 932856870 /nfs/dbraw/zinc/85/68/70/932856870.db2.gz ISAHCUXQBHEKPF-NRFANRHFSA-N 2 1 387.543 3.515 20 0 GHADMP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)C2)CC1 ZINC000799029595 932856875 /nfs/dbraw/zinc/85/68/75/932856875.db2.gz ISAHCUXQBHEKPF-NRFANRHFSA-N 2 1 387.543 3.515 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000559787864 932857705 /nfs/dbraw/zinc/85/77/05/932857705.db2.gz QGZXETLECFXZOL-JTHBVZDNSA-N 2 1 377.532 3.781 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)C[C@@H]1c1ccccc1 ZINC000559787864 932857710 /nfs/dbraw/zinc/85/77/10/932857710.db2.gz QGZXETLECFXZOL-JTHBVZDNSA-N 2 1 377.532 3.781 20 0 GHADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177535 932899698 /nfs/dbraw/zinc/89/96/98/932899698.db2.gz UEDGWRACWRGHPO-QGZVFWFLSA-N 2 1 377.960 3.667 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C2)CC1 ZINC000799178646 932900319 /nfs/dbraw/zinc/90/03/19/932900319.db2.gz AHETVBOAVUZPRQ-SFHVURJKSA-N 2 1 395.469 3.619 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1cccc2ccccc21 ZINC000799178273 932900712 /nfs/dbraw/zinc/90/07/12/932900712.db2.gz QXALWJWVDOTFKM-IBGZPJMESA-N 2 1 379.548 3.825 20 0 GHADMP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178992 932901847 /nfs/dbraw/zinc/90/18/47/932901847.db2.gz WOKFKDQJXLFGPL-AWEZNQCLSA-N 2 1 390.528 3.570 20 0 GHADMP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178992 932901848 /nfs/dbraw/zinc/90/18/48/932901848.db2.gz WOKFKDQJXLFGPL-AWEZNQCLSA-N 2 1 390.528 3.570 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000559895559 932929794 /nfs/dbraw/zinc/92/97/94/932929794.db2.gz WWDNOHGESWTDPE-HSZRJFAPSA-N 2 1 379.548 3.697 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3[C@H](C)c3ccccc3)CC2)CC1 ZINC000928387512 932960590 /nfs/dbraw/zinc/96/05/90/932960590.db2.gz WBZZKGMOGXWDDM-HYBUGGRVSA-N 2 1 397.607 3.977 20 0 GHADMP O[C@@]1(C[NH2+]CCCc2c(F)cccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000560017659 933021000 /nfs/dbraw/zinc/02/10/00/933021000.db2.gz DUHSDIKEXIUGNJ-OAQYLSRUSA-N 2 1 376.903 3.638 20 0 GHADMP O[C@@]1(C[NH2+]CCCc2c(F)cccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000560017659 933021006 /nfs/dbraw/zinc/02/10/06/933021006.db2.gz DUHSDIKEXIUGNJ-OAQYLSRUSA-N 2 1 376.903 3.638 20 0 GHADMP c1c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]nc1-c1cccnc1 ZINC000560356920 933218251 /nfs/dbraw/zinc/21/82/51/933218251.db2.gz OYDOZDZBBCSVFM-FQEVSTJZSA-N 2 1 375.520 3.864 20 0 GHADMP c1c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]nc1-c1cccnc1 ZINC000560356920 933218254 /nfs/dbraw/zinc/21/82/54/933218254.db2.gz OYDOZDZBBCSVFM-FQEVSTJZSA-N 2 1 375.520 3.864 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001116113839 933341644 /nfs/dbraw/zinc/34/16/44/933341644.db2.gz VGKIAKHKUONKAG-YJMBLLCNSA-N 2 1 386.584 3.554 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)c2)CC1 ZINC001116531737 933614570 /nfs/dbraw/zinc/61/45/70/933614570.db2.gz FPPWPPHBJVQFTJ-RUZDIDTESA-N 2 1 393.575 3.692 20 0 GHADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)C2)nn1 ZINC000560979306 933754298 /nfs/dbraw/zinc/75/42/98/933754298.db2.gz CKYAMTBKTDNICD-QGZVFWFLSA-N 2 1 387.940 3.956 20 0 GHADMP Cn1cc(-c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2)cn1 ZINC001116880298 933808746 /nfs/dbraw/zinc/80/87/46/933808746.db2.gz QSEAKSNOOMFELI-UHFFFAOYSA-N 2 1 375.520 4.000 20 0 GHADMP CCN(Cc1cc(OC)c(O)c(OC)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561392261 934111894 /nfs/dbraw/zinc/11/18/94/934111894.db2.gz BNEFQKLUSLQSKP-LJQANCHMSA-N 2 1 384.520 3.753 20 0 GHADMP CC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561392261 934111900 /nfs/dbraw/zinc/11/19/00/934111900.db2.gz BNEFQKLUSLQSKP-LJQANCHMSA-N 2 1 384.520 3.753 20 0 GHADMP CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000561392261 934111903 /nfs/dbraw/zinc/11/19/03/934111903.db2.gz BNEFQKLUSLQSKP-LJQANCHMSA-N 2 1 384.520 3.753 20 0 GHADMP CC[NH+](Cc1cc(OC)c(O)c(OC)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561392261 934111908 /nfs/dbraw/zinc/11/19/08/934111908.db2.gz BNEFQKLUSLQSKP-LJQANCHMSA-N 2 1 384.520 3.753 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCSc3ccncc3)C2)ccn1 ZINC000931093942 934374212 /nfs/dbraw/zinc/37/42/12/934374212.db2.gz JZCIXXCRGFDGEA-FQEVSTJZSA-N 2 1 386.565 3.562 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCSc3ccncc3)C2)ccn1 ZINC000931093942 934374222 /nfs/dbraw/zinc/37/42/22/934374222.db2.gz JZCIXXCRGFDGEA-FQEVSTJZSA-N 2 1 386.565 3.562 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC001120247718 934449452 /nfs/dbraw/zinc/44/94/52/934449452.db2.gz BCGSMVPGEGZDQH-KAHHJCNOSA-N 2 1 396.575 3.607 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC001120247719 934449557 /nfs/dbraw/zinc/44/95/57/934449557.db2.gz BCGSMVPGEGZDQH-KJGFFNNUSA-N 2 1 396.575 3.607 20 0 GHADMP CCC(CC)(CNC(=O)Cn1c[nH+]c2c1CCCC2)[NH2+][C@@H](C)c1ccccc1 ZINC000562025768 934642205 /nfs/dbraw/zinc/64/22/05/934642205.db2.gz WORUQXSUBUDFGF-SFHVURJKSA-N 2 1 382.552 3.788 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(OC)ccc3C3CC3)CC2)CC1 ZINC000829856686 935872972 /nfs/dbraw/zinc/87/29/72/935872972.db2.gz ORRFQTBHGYEATP-UHFFFAOYSA-N 2 1 385.552 3.707 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001137945753 935885151 /nfs/dbraw/zinc/88/51/51/935885151.db2.gz XVTVYBLOWCHIME-TVKQPGBESA-N 2 1 395.950 3.709 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041468 935946181 /nfs/dbraw/zinc/94/61/81/935946181.db2.gz BRTODPTZJOUEPA-TUACAJSNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041468 935946184 /nfs/dbraw/zinc/94/61/84/935946184.db2.gz BRTODPTZJOUEPA-TUACAJSNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041468 935946187 /nfs/dbraw/zinc/94/61/87/935946187.db2.gz BRTODPTZJOUEPA-TUACAJSNSA-N 2 1 393.531 3.739 20 0 GHADMP CC(=O)Oc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001138041468 935946190 /nfs/dbraw/zinc/94/61/90/935946190.db2.gz BRTODPTZJOUEPA-TUACAJSNSA-N 2 1 393.531 3.739 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171485070 1014965040 /nfs/dbraw/zinc/96/50/40/1014965040.db2.gz TVKWDTYVMDJORK-ZRCGQRJVSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171485070 1014965044 /nfs/dbraw/zinc/96/50/44/1014965044.db2.gz TVKWDTYVMDJORK-ZRCGQRJVSA-N 2 1 390.518 3.502 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171485070 1014965049 /nfs/dbraw/zinc/96/50/49/1014965049.db2.gz TVKWDTYVMDJORK-ZRCGQRJVSA-N 2 1 390.518 3.502 20 0 GHADMP CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4CCn5c[nH+]cc5C4)n3)cc2)CC1 ZINC000544948303 1015262322 /nfs/dbraw/zinc/26/23/22/1015262322.db2.gz BTDUEMCHXJCTMB-LJQANCHMSA-N 2 1 377.492 3.895 20 0 GHADMP CCCOc1cc(F)ccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000557646877 1017025811 /nfs/dbraw/zinc/02/58/11/1017025811.db2.gz WIWFJNBXGBJTLV-UHFFFAOYSA-N 2 1 391.531 3.749 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[C@H](c2ccccc2)[NH2+]1 ZINC001221063515 1032262458 /nfs/dbraw/zinc/26/24/58/1032262458.db2.gz YIHGWQGFIZFJOB-YTFSRNRJSA-N 2 1 377.532 3.651 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)c1ccccc1Cl ZINC001221074064 1032267858 /nfs/dbraw/zinc/26/78/58/1032267858.db2.gz JUTXBMHQFDBBJY-VQTJNVASSA-N 2 1 394.991 3.705 20 0 GHADMP CC(C)(C)c1ccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC001221063473 1032263068 /nfs/dbraw/zinc/26/30/68/1032263068.db2.gz XAAUWPKCTBMLEX-XZOQPEGZSA-N 2 1 393.575 3.635 20 0 GHADMP CCCC(C[NH3+])(CCC)NC(=O)CCC[N@@H+](CC)[C@H](C)Cc1ccc(O)cc1 ZINC001221374155 1032389399 /nfs/dbraw/zinc/38/93/99/1032389399.db2.gz YPGWDOLFPINAJC-LJQANCHMSA-N 2 1 391.600 3.839 20 0 GHADMP Cc1c[nH]c2nc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc12 ZINC001155357099 1032516514 /nfs/dbraw/zinc/51/65/14/1032516514.db2.gz AVEISOLSFWQQPY-HXUWFJFHSA-N 2 1 389.547 3.785 20 0 GHADMP Cc1cc(C(C)C)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155361036 1032519469 /nfs/dbraw/zinc/51/94/69/1032519469.db2.gz IONRXDTZGNIMIV-OAQYLSRUSA-N 2 1 393.579 3.822 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2c1C ZINC001155588107 1032589714 /nfs/dbraw/zinc/58/97/14/1032589714.db2.gz PIUYVPOQYVQROB-IKGGRYGDSA-N 2 1 385.581 3.704 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001204160688 1032611906 /nfs/dbraw/zinc/61/19/06/1032611906.db2.gz VMODUWDOPRRFHQ-UHFFFAOYSA-N 2 1 378.442 3.556 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc1 ZINC001204165493 1032616641 /nfs/dbraw/zinc/61/66/41/1032616641.db2.gz BYSSVVJYDMGJCI-DNQXCXABSA-N 2 1 385.596 3.571 20 0 GHADMP CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001204165493 1032616649 /nfs/dbraw/zinc/61/66/49/1032616649.db2.gz BYSSVVJYDMGJCI-DNQXCXABSA-N 2 1 385.596 3.571 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cc1 ZINC001204165493 1032616654 /nfs/dbraw/zinc/61/66/54/1032616654.db2.gz BYSSVVJYDMGJCI-DNQXCXABSA-N 2 1 385.596 3.571 20 0 GHADMP Fc1ccc([C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccn2)cc1 ZINC000925818882 1017152953 /nfs/dbraw/zinc/15/29/53/1017152953.db2.gz VPUONSUMZXAUFW-XMMPIXPASA-N 2 1 390.506 3.505 20 0 GHADMP C[N@H+]1CCC[C@]2(CCN(C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310668 1017419807 /nfs/dbraw/zinc/41/98/07/1017419807.db2.gz BXJXMIIHVNLISQ-UPVQGACJSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310668 1017419829 /nfs/dbraw/zinc/41/98/29/1017419829.db2.gz BXJXMIIHVNLISQ-UPVQGACJSA-N 2 1 380.532 3.511 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000559310668 1017419839 /nfs/dbraw/zinc/41/98/39/1017419839.db2.gz BXJXMIIHVNLISQ-UPVQGACJSA-N 2 1 380.532 3.511 20 0 GHADMP COC(C[N@@H+](Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1)OC ZINC001204263967 1032706702 /nfs/dbraw/zinc/70/67/02/1032706702.db2.gz PVWOJTAWDCGBPF-UHFFFAOYSA-N 2 1 386.536 3.638 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@]1(O)C(F)(F)F ZINC001204263239 1032707881 /nfs/dbraw/zinc/70/78/81/1032707881.db2.gz IQSJCYUHNHDUFV-APWZRJJASA-N 2 1 388.474 3.542 20 0 GHADMP Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)n1 ZINC001204273164 1032717368 /nfs/dbraw/zinc/71/73/68/1032717368.db2.gz ZPUBZIJSNHXAFW-JOCHJYFZSA-N 2 1 383.536 3.764 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)cc1 ZINC001204272814 1032717690 /nfs/dbraw/zinc/71/76/90/1032717690.db2.gz SYPJNRJPNHVVQR-UHFFFAOYSA-N 2 1 385.527 3.869 20 0 GHADMP CCCCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001204315440 1032758627 /nfs/dbraw/zinc/75/86/27/1032758627.db2.gz VEOOYIYHVLOMEY-DHIUTWEWSA-N 2 1 396.579 3.943 20 0 GHADMP CCCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001204315440 1032758641 /nfs/dbraw/zinc/75/86/41/1032758641.db2.gz VEOOYIYHVLOMEY-DHIUTWEWSA-N 2 1 396.579 3.943 20 0 GHADMP CCCCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001204315440 1032758651 /nfs/dbraw/zinc/75/86/51/1032758651.db2.gz VEOOYIYHVLOMEY-DHIUTWEWSA-N 2 1 396.579 3.943 20 0 GHADMP CCCCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1 ZINC001204315440 1032758665 /nfs/dbraw/zinc/75/86/65/1032758665.db2.gz VEOOYIYHVLOMEY-DHIUTWEWSA-N 2 1 396.579 3.943 20 0 GHADMP C[C@@H](C[NH+](C)C)Nc1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3 ZINC001155921129 1032794286 /nfs/dbraw/zinc/79/42/86/1032794286.db2.gz KCWYHCTXQNGGCR-HNNXBMFYSA-N 2 1 387.597 3.774 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001155997565 1032830875 /nfs/dbraw/zinc/83/08/75/1032830875.db2.gz GCDQAPFHKJYQQI-VWNXMTODSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001155997565 1032830895 /nfs/dbraw/zinc/83/08/95/1032830895.db2.gz GCDQAPFHKJYQQI-VWNXMTODSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001155997565 1032830916 /nfs/dbraw/zinc/83/09/16/1032830916.db2.gz GCDQAPFHKJYQQI-VWNXMTODSA-N 2 1 397.607 3.854 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnc(-c3ccco3)s2)c2cccs2)CC1 ZINC000569413241 1019484902 /nfs/dbraw/zinc/48/49/02/1019484902.db2.gz HJBCWTVNIYEHHC-INIZCTEOSA-N 2 1 388.562 3.543 20 0 GHADMP FC(F)(F)c1ccc(-n2cc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)cn2)cc1 ZINC000569741503 1019509003 /nfs/dbraw/zinc/50/90/03/1019509003.db2.gz ORWYEZWPWLLANT-LJQANCHMSA-N 2 1 388.393 3.939 20 0 GHADMP FC(F)(F)c1ccc(-n2cc(CN3CC[C@@H](Oc4ccncc4)C3)cn2)cc1 ZINC000569741503 1019509016 /nfs/dbraw/zinc/50/90/16/1019509016.db2.gz ORWYEZWPWLLANT-LJQANCHMSA-N 2 1 388.393 3.939 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000572690495 1019795758 /nfs/dbraw/zinc/79/57/58/1019795758.db2.gz NYGONLASAUTTNC-LMMKCTJWSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000572690495 1019795772 /nfs/dbraw/zinc/79/57/72/1019795772.db2.gz NYGONLASAUTTNC-LMMKCTJWSA-N 2 1 380.602 3.551 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000572690495 1019795791 /nfs/dbraw/zinc/79/57/91/1019795791.db2.gz NYGONLASAUTTNC-LMMKCTJWSA-N 2 1 380.602 3.551 20 0 GHADMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204429087 1032859875 /nfs/dbraw/zinc/85/98/75/1032859875.db2.gz ANRPCASCRQOGEC-UYAOXDASSA-N 2 1 398.469 3.766 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204429087 1032859891 /nfs/dbraw/zinc/85/98/91/1032859891.db2.gz ANRPCASCRQOGEC-UYAOXDASSA-N 2 1 398.469 3.766 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204429087 1032859908 /nfs/dbraw/zinc/85/99/08/1032859908.db2.gz ANRPCASCRQOGEC-UYAOXDASSA-N 2 1 398.469 3.766 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC001204429087 1032859925 /nfs/dbraw/zinc/85/99/25/1032859925.db2.gz ANRPCASCRQOGEC-UYAOXDASSA-N 2 1 398.469 3.766 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccccc3C[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000629762129 1020766390 /nfs/dbraw/zinc/76/63/90/1020766390.db2.gz SFLCTKIHYNNJBN-DEOSSOPVSA-N 2 1 391.559 3.702 20 0 GHADMP [NH3+][C@@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)C1 ZINC001156232930 1032934755 /nfs/dbraw/zinc/93/47/55/1032934755.db2.gz LVLNGQIWRSQOOO-QGZVFWFLSA-N 2 1 393.560 3.882 20 0 GHADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834892342 1021633388 /nfs/dbraw/zinc/63/33/88/1021633388.db2.gz LWXPGVUGEDVVIM-FWZVCBSNSA-N 2 1 387.568 3.726 20 0 GHADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2nc(-c3ccccn3)n[nH]2)ccc1OC ZINC000834902482 1021649448 /nfs/dbraw/zinc/64/94/48/1021649448.db2.gz BFCDBHJSBKGXAD-MRXNPFEDSA-N 2 1 394.523 3.568 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001140524762 1021919279 /nfs/dbraw/zinc/91/92/79/1021919279.db2.gz SVHURYWEVUIGQE-RBUKOAKNSA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001140524762 1021919286 /nfs/dbraw/zinc/91/92/86/1021919286.db2.gz SVHURYWEVUIGQE-RBUKOAKNSA-N 2 1 384.545 3.879 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC001140524762 1021919290 /nfs/dbraw/zinc/91/92/90/1021919290.db2.gz SVHURYWEVUIGQE-RBUKOAKNSA-N 2 1 384.545 3.879 20 0 GHADMP CC(C)c1[nH+]ccn1CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000679461216 1021998836 /nfs/dbraw/zinc/99/88/36/1021998836.db2.gz RMNAADIQKDXJTO-RTBURBONSA-N 2 1 382.552 3.801 20 0 GHADMP Cc1ccc(F)cc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001140592049 1022027263 /nfs/dbraw/zinc/02/72/63/1022027263.db2.gz UKJYYSSQDRGOLF-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(N2CCCC2)[nH+]1 ZINC000679700705 1022040178 /nfs/dbraw/zinc/04/01/78/1022040178.db2.gz KTRFTRYVJPGZSI-UHFFFAOYSA-N 2 1 378.520 3.516 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc4cnccc43)CC2)CC1 ZINC000679990332 1022067859 /nfs/dbraw/zinc/06/78/59/1022067859.db2.gz OHMFDEBHKCAKDK-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2cnccc21 ZINC000679990332 1022067867 /nfs/dbraw/zinc/06/78/67/1022067867.db2.gz OHMFDEBHKCAKDK-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2cnccc21 ZINC000679990332 1022067885 /nfs/dbraw/zinc/06/78/85/1022067885.db2.gz OHMFDEBHKCAKDK-UHFFFAOYSA-N 3 1 380.580 3.863 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]2CF)CC1 ZINC001140801026 1022568121 /nfs/dbraw/zinc/56/81/21/1022568121.db2.gz FPDMURWDMFJWQM-PBHICJAKSA-N 2 1 388.487 3.638 20 0 GHADMP CC(C)(C)OC(=O)NC1([C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@H]2CF)CC1 ZINC001140801026 1022568125 /nfs/dbraw/zinc/56/81/25/1022568125.db2.gz FPDMURWDMFJWQM-PBHICJAKSA-N 2 1 388.487 3.638 20 0 GHADMP Cc1c(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(=O)n(-c2ccccc2)n1C ZINC001140851992 1022698809 /nfs/dbraw/zinc/69/88/09/1022698809.db2.gz XKDQQDOHOVFEQI-UHFFFAOYSA-N 2 1 396.579 3.713 20 0 GHADMP Cc1c(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)c(=O)n(-c2ccccc2)n1C ZINC001140851992 1022698816 /nfs/dbraw/zinc/69/88/16/1022698816.db2.gz XKDQQDOHOVFEQI-UHFFFAOYSA-N 2 1 396.579 3.713 20 0 GHADMP Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000754658343 1022814750 /nfs/dbraw/zinc/81/47/50/1022814750.db2.gz KPGIKEQJWNATMG-LJQANCHMSA-N 2 1 385.577 3.750 20 0 GHADMP C[N@H+](Cc1ccccc1N1CC[NH+](C)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140976228 1023060635 /nfs/dbraw/zinc/06/06/35/1023060635.db2.gz HLLZNNMMCQSSOX-UHFFFAOYSA-N 3 1 384.612 3.667 20 0 GHADMP C[N@@H+](Cc1ccccc1N1CC[NH+](C)CC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140976228 1023060649 /nfs/dbraw/zinc/06/06/49/1023060649.db2.gz HLLZNNMMCQSSOX-UHFFFAOYSA-N 3 1 384.612 3.667 20 0 GHADMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001140976234 1023060915 /nfs/dbraw/zinc/06/09/15/1023060915.db2.gz HODXAIPOROZYQL-QFIPXVFZSA-N 2 1 393.531 3.562 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N[C@H]4CC[N@H+](C)C4)c23)C1 ZINC001156581322 1033113442 /nfs/dbraw/zinc/11/34/42/1033113442.db2.gz KCCPNGDTTAPQMF-CVEARBPZSA-N 2 1 399.608 3.918 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N[C@H]4CC[N@@H+](C)C4)c23)C1 ZINC001156581322 1033113453 /nfs/dbraw/zinc/11/34/53/1033113453.db2.gz KCCPNGDTTAPQMF-CVEARBPZSA-N 2 1 399.608 3.918 20 0 GHADMP Cc1[nH+]ccn1CCCC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000837090829 1024010841 /nfs/dbraw/zinc/01/08/41/1024010841.db2.gz VJJFCSBNMAFJFZ-UHFFFAOYSA-N 2 1 390.915 3.737 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001141238270 1024235223 /nfs/dbraw/zinc/23/52/23/1024235223.db2.gz ROYBWMFLCAFNCZ-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001141238270 1024235239 /nfs/dbraw/zinc/23/52/39/1024235239.db2.gz ROYBWMFLCAFNCZ-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001141238270 1024235254 /nfs/dbraw/zinc/23/52/54/1024235254.db2.gz ROYBWMFLCAFNCZ-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[NH+]1CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000831164335 1024395160 /nfs/dbraw/zinc/39/51/60/1024395160.db2.gz CCPVWPZYCISZDV-JHXGOWNISA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCCCC[NH+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000831164335 1024395177 /nfs/dbraw/zinc/39/51/77/1024395177.db2.gz CCPVWPZYCISZDV-JHXGOWNISA-N 2 1 392.628 3.798 20 0 GHADMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCCCCC[NH+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000831164335 1024395195 /nfs/dbraw/zinc/39/51/95/1024395195.db2.gz CCPVWPZYCISZDV-JHXGOWNISA-N 2 1 392.628 3.798 20 0 GHADMP COc1cc2cccnc2c(N(c2cc(N(C)C)[nH+]c(C)n2)[C@@H](C)CCC[NH3+])c1 ZINC001156750102 1033220920 /nfs/dbraw/zinc/22/09/20/1033220920.db2.gz NHBREUNKJJMKSR-HNNXBMFYSA-N 2 1 394.523 3.673 20 0 GHADMP Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001138403562 1024784273 /nfs/dbraw/zinc/78/42/73/1024784273.db2.gz RNVRIBXPFXKVJE-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1c2ccccc2[nH]c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001138403562 1024784281 /nfs/dbraw/zinc/78/42/81/1024784281.db2.gz RNVRIBXPFXKVJE-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP Cc1c2ccccc2[nH]c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001138403562 1024784293 /nfs/dbraw/zinc/78/42/93/1024784293.db2.gz RNVRIBXPFXKVJE-HYBUGGRVSA-N 2 1 390.531 3.594 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001138486409 1024917778 /nfs/dbraw/zinc/91/77/78/1024917778.db2.gz RGSBPYMPPKOQHZ-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001138491370 1024923527 /nfs/dbraw/zinc/92/35/27/1024923527.db2.gz LYWKNXDHZKAAOE-WMQCIHAUSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001138491370 1024923530 /nfs/dbraw/zinc/92/35/30/1024923530.db2.gz LYWKNXDHZKAAOE-WMQCIHAUSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001138491370 1024923537 /nfs/dbraw/zinc/92/35/37/1024923537.db2.gz LYWKNXDHZKAAOE-WMQCIHAUSA-N 2 1 384.593 3.942 20 0 GHADMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)s1 ZINC001138491370 1024923541 /nfs/dbraw/zinc/92/35/41/1024923541.db2.gz LYWKNXDHZKAAOE-WMQCIHAUSA-N 2 1 384.593 3.942 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001138544044 1024987336 /nfs/dbraw/zinc/98/73/36/1024987336.db2.gz BIQJSTKEFWOCAP-JOCHJYFZSA-N 2 1 382.508 3.766 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)cc1 ZINC001138544044 1024987339 /nfs/dbraw/zinc/98/73/39/1024987339.db2.gz BIQJSTKEFWOCAP-JOCHJYFZSA-N 2 1 382.508 3.766 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001138549392 1024995705 /nfs/dbraw/zinc/99/57/05/1024995705.db2.gz WATIIPLXBOMLTR-LJQANCHMSA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1 ZINC001138549392 1024995708 /nfs/dbraw/zinc/99/57/08/1024995708.db2.gz WATIIPLXBOMLTR-LJQANCHMSA-N 2 1 384.524 3.870 20 0 GHADMP COc1cc(CN2CCC[C@@]3(C2)COCC[N@H+](C(C)C)C3)ccc1OC(C)C ZINC001138572533 1025044961 /nfs/dbraw/zinc/04/49/61/1025044961.db2.gz WHNJVBFZDFUWIW-QHCPKHFHSA-N 2 1 390.568 3.805 20 0 GHADMP Cc1cccc(Cl)c1CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001138720975 1025245573 /nfs/dbraw/zinc/24/55/73/1025245573.db2.gz FORXUBJPPMDBPY-DXIQSLLYSA-N 2 1 399.970 3.615 20 0 GHADMP C[NH+]1CCN(c2ccc(NC3CCN(c4cc[nH+]cc4)CC3)cc2Cl)CC1 ZINC000838879790 1025414544 /nfs/dbraw/zinc/41/45/44/1025414544.db2.gz WOEHYWDHJFACGD-UHFFFAOYSA-N 2 1 385.943 3.568 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC001141550796 1025500236 /nfs/dbraw/zinc/50/02/36/1025500236.db2.gz KUUSKXYAAMVSMV-KIFXHHALSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC001141550796 1025500245 /nfs/dbraw/zinc/50/02/45/1025500245.db2.gz KUUSKXYAAMVSMV-KIFXHHALSA-N 2 1 397.607 3.723 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC001141550796 1025500251 /nfs/dbraw/zinc/50/02/51/1025500251.db2.gz KUUSKXYAAMVSMV-KIFXHHALSA-N 2 1 397.607 3.723 20 0 GHADMP COc1cccc(CC2([NH3+])CCN(c3[nH+]cnc4c3ccn4C(C)C)CC2)c1 ZINC001162050144 1025564120 /nfs/dbraw/zinc/56/41/20/1025564120.db2.gz RHRKULRDMPWEPI-UHFFFAOYSA-N 2 1 379.508 3.561 20 0 GHADMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc3c(c1)c1ccccc1n3C)CC2 ZINC001138919577 1025585604 /nfs/dbraw/zinc/58/56/04/1025585604.db2.gz XNBVGLDUVJZLCK-UHFFFAOYSA-N 2 1 376.504 3.962 20 0 GHADMP COc1cc2c[nH+]c(N(Cc3ccncc3)[C@H]3CC[C@H]([NH3+])CC3)cc2cc1OC ZINC001162198073 1025664839 /nfs/dbraw/zinc/66/48/39/1025664839.db2.gz RQCLKFBCXOMGCH-MXVIHJGJSA-N 2 1 392.503 3.924 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000839181488 1025692449 /nfs/dbraw/zinc/69/24/49/1025692449.db2.gz IVZZNKZIHBKHIN-IYWMVGAKSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ncc(C(C)(C)C)s2)[C@H](c2ccccc2)C1 ZINC001461034044 1069349321 /nfs/dbraw/zinc/34/93/21/1069349321.db2.gz CLEFRWKEKQWFNE-IBGZPJMESA-N 2 1 386.609 3.909 20 0 GHADMP Cc1cc(N2C[C@H]([NH3+])Cc3ccccc32)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001162841610 1025936326 /nfs/dbraw/zinc/93/63/26/1025936326.db2.gz JHDNDAOQAXSTQX-OAQYLSRUSA-N 2 1 384.527 3.970 20 0 GHADMP CCOC(=O)COc1ccccc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139136361 1025948815 /nfs/dbraw/zinc/94/88/15/1025948815.db2.gz WGMFDWMXEWBEGN-OAQYLSRUSA-N 2 1 396.531 3.582 20 0 GHADMP CCc1ccc([C@@H]2CN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)CC[NH2+]2)cc1 ZINC001139138701 1025951990 /nfs/dbraw/zinc/95/19/90/1025951990.db2.gz MNRODLVNKOVONZ-NRFANRHFSA-N 2 1 376.504 3.640 20 0 GHADMP C[NH+](C)[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1(C)C ZINC001162902660 1025960832 /nfs/dbraw/zinc/96/08/32/1025960832.db2.gz APAMSZLVRZOQCQ-GSPCLOLRSA-N 2 1 397.607 3.770 20 0 GHADMP CCc1cc(Cl)nnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162927817 1025970486 /nfs/dbraw/zinc/97/04/86/1025970486.db2.gz FOUDXHFOEBCFNL-LJQANCHMSA-N 2 1 399.970 3.606 20 0 GHADMP Cc1cc2[nH+]ccn2cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934422 1025972548 /nfs/dbraw/zinc/97/25/48/1025972548.db2.gz LEVPEQCASSMVHK-NRFANRHFSA-N 3 1 389.547 3.556 20 0 GHADMP Cc1cc2nccn2cc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934422 1025972555 /nfs/dbraw/zinc/97/25/55/1025972555.db2.gz LEVPEQCASSMVHK-NRFANRHFSA-N 2 1 389.547 3.556 20 0 GHADMP Cc1cc2nccn2cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162934422 1025972557 /nfs/dbraw/zinc/97/25/57/1025972557.db2.gz LEVPEQCASSMVHK-NRFANRHFSA-N 2 1 389.547 3.556 20 0 GHADMP COC(=N)c1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162940579 1025977882 /nfs/dbraw/zinc/97/78/82/1025977882.db2.gz HSEGSBYXBXIPSJ-OAQYLSRUSA-N 2 1 392.547 3.572 20 0 GHADMP COC(=[NH2+])c1cccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162940579 1025977886 /nfs/dbraw/zinc/97/78/86/1025977886.db2.gz HSEGSBYXBXIPSJ-OAQYLSRUSA-N 3 1 392.547 3.572 20 0 GHADMP COC(=[NH2+])c1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162940579 1025977895 /nfs/dbraw/zinc/97/78/95/1025977895.db2.gz HSEGSBYXBXIPSJ-OAQYLSRUSA-N 3 1 392.547 3.572 20 0 GHADMP COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000839600599 1026098812 /nfs/dbraw/zinc/09/88/12/1026098812.db2.gz DCCSDMSOLZQCEC-LJQANCHMSA-N 2 1 384.442 3.600 20 0 GHADMP CC1CC[NH+](Cc2nc3sc4c(c3c(NCC3([NH3+])CCC3)n2)CCC4)CC1 ZINC001163327899 1026147414 /nfs/dbraw/zinc/14/74/14/1026147414.db2.gz AYBOXJOXYGPHEL-UHFFFAOYSA-N 2 1 385.581 3.705 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)[C@@H](C)C1 ZINC001163363957 1026160257 /nfs/dbraw/zinc/16/02/57/1026160257.db2.gz AZKUWKYBVSFLRN-DOTOQJQBSA-N 2 1 387.528 3.509 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](Nc2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)[C@@H](C)C1 ZINC001163363957 1026160266 /nfs/dbraw/zinc/16/02/66/1026160266.db2.gz AZKUWKYBVSFLRN-DOTOQJQBSA-N 2 1 387.528 3.509 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC001139328936 1026187985 /nfs/dbraw/zinc/18/79/85/1026187985.db2.gz LNGOFNRENXEENH-QFIPXVFZSA-N 2 1 391.519 3.737 20 0 GHADMP CN(CC[NH+](C)C)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC001163591226 1026243711 /nfs/dbraw/zinc/24/37/11/1026243711.db2.gz XBNCLQFWQFNQCJ-UHFFFAOYSA-N 2 1 387.597 3.554 20 0 GHADMP c1cc(-c2ccc(CN3C[C@@H]4C[N@H+](Cc5ccccn5)C[C@@H]4C3)cn2)cs1 ZINC001139497865 1026354760 /nfs/dbraw/zinc/35/47/60/1026354760.db2.gz HHHXCLAJJCFBCU-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP Brc1cccn2c(NCc3cccnc3C3CC[NH2+]CC3)c[nH+]c12 ZINC001163911790 1026360252 /nfs/dbraw/zinc/36/02/52/1026360252.db2.gz MLSSLTMICCZEOG-UHFFFAOYSA-N 2 1 386.297 3.571 20 0 GHADMP F[C@H]1C[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]2C[C@@H]21 ZINC001139514174 1026369562 /nfs/dbraw/zinc/36/95/62/1026369562.db2.gz JDPLVGDWWXDMHQ-VABKMULXSA-N 2 1 379.523 3.799 20 0 GHADMP Fc1cccc2nc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn21 ZINC001139569975 1026438396 /nfs/dbraw/zinc/43/83/96/1026438396.db2.gz QNFZSKFVFQRKDP-UHFFFAOYSA-N 2 1 378.495 3.962 20 0 GHADMP Fc1cccc2nc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn21 ZINC001139569975 1026438398 /nfs/dbraw/zinc/43/83/98/1026438398.db2.gz QNFZSKFVFQRKDP-UHFFFAOYSA-N 2 1 378.495 3.962 20 0 GHADMP Cc1cnc(Cl)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001139588104 1026451170 /nfs/dbraw/zinc/45/11/70/1026451170.db2.gz IVGJJUVMMPNMOG-UHFFFAOYSA-N 2 1 375.900 3.503 20 0 GHADMP CCOc1ccncc1CN1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001139629204 1026495361 /nfs/dbraw/zinc/49/53/61/1026495361.db2.gz BXGPUZQMZSUKPH-VLCRHTCISA-N 2 1 380.536 3.608 20 0 GHADMP Fc1c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccnc1Cl ZINC001139663560 1026522555 /nfs/dbraw/zinc/52/25/55/1026522555.db2.gz OFPHUAPLQDSBAX-UHFFFAOYSA-N 2 1 389.902 3.741 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001164493649 1026531599 /nfs/dbraw/zinc/53/15/99/1026531599.db2.gz VOHVOYPGKHOQNT-BHIFYINESA-N 2 1 392.547 3.549 20 0 GHADMP Cc1cc(N2CCOCC2)[nH+]cc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001164493649 1026531607 /nfs/dbraw/zinc/53/16/07/1026531607.db2.gz VOHVOYPGKHOQNT-BHIFYINESA-N 2 1 392.547 3.549 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](CCc3ccncc3)CC2)nc1 ZINC001165060220 1026581179 /nfs/dbraw/zinc/58/11/79/1026581179.db2.gz UMJUTYORAZOICQ-QHCPKHFHSA-N 2 1 393.579 3.778 20 0 GHADMP COCCn1cc(C[NH+]2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)cn1 ZINC001139780503 1026609743 /nfs/dbraw/zinc/60/97/43/1026609743.db2.gz DTHQKUIXUKTYLX-UHFFFAOYSA-N 2 1 396.579 3.716 20 0 GHADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[NH2+]C[C@]3(c3ccccc3)C2)nc1 ZINC001165169062 1026645440 /nfs/dbraw/zinc/64/54/40/1026645440.db2.gz OLTGPPCBNXVMJM-VDKIKQQVSA-N 2 1 390.575 3.996 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)s1 ZINC001139830367 1026651722 /nfs/dbraw/zinc/65/17/22/1026651722.db2.gz SOZHHQZATZWYPQ-UHFFFAOYSA-N 2 1 386.561 3.762 20 0 GHADMP Fc1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c2ccccc12 ZINC001139889836 1026705878 /nfs/dbraw/zinc/70/58/78/1026705878.db2.gz IQEWSOXQKTYJGS-UHFFFAOYSA-N 2 1 378.495 3.830 20 0 GHADMP Clc1ncnc2[nH]cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)c21 ZINC001139943447 1026749534 /nfs/dbraw/zinc/74/95/34/1026749534.db2.gz BXQXIJMRGCWENV-QZTJIDSGSA-N 2 1 395.938 3.907 20 0 GHADMP Clc1ncnc2[nH]cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)c21 ZINC001139943447 1026749544 /nfs/dbraw/zinc/74/95/44/1026749544.db2.gz BXQXIJMRGCWENV-QZTJIDSGSA-N 2 1 395.938 3.907 20 0 GHADMP Clc1ncnc2[nH]cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)c21 ZINC001139943447 1026749554 /nfs/dbraw/zinc/74/95/54/1026749554.db2.gz BXQXIJMRGCWENV-QZTJIDSGSA-N 2 1 395.938 3.907 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(-c3ccncc3)cc1)C2 ZINC001140169816 1026943003 /nfs/dbraw/zinc/94/30/03/1026943003.db2.gz LSDMQQCHBGDXCK-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(-c3ccncc3)cc1)C2 ZINC001140169816 1026943007 /nfs/dbraw/zinc/94/30/07/1026943007.db2.gz LSDMQQCHBGDXCK-DQEYMECFSA-N 2 1 391.559 3.929 20 0 GHADMP C[NH+](C)CCN1C(=O)c2cccc3cc(Nc4ccc5[nH]c[nH+]c5c4)cc(c32)C1=O ZINC001209852154 1027244277 /nfs/dbraw/zinc/24/42/77/1027244277.db2.gz VNOBCZITTOVJGZ-UHFFFAOYSA-N 2 1 399.454 3.617 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)cc1 ZINC001203309629 1027268642 /nfs/dbraw/zinc/26/86/42/1027268642.db2.gz YOIJUVHFNJAOIA-DQEYMECFSA-N 2 1 391.559 3.832 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)cc1 ZINC001203309629 1027268649 /nfs/dbraw/zinc/26/86/49/1027268649.db2.gz YOIJUVHFNJAOIA-DQEYMECFSA-N 2 1 391.559 3.832 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)cc1 ZINC001203309629 1027268654 /nfs/dbraw/zinc/26/86/54/1027268654.db2.gz YOIJUVHFNJAOIA-DQEYMECFSA-N 2 1 391.559 3.832 20 0 GHADMP CC(=O)OCc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001141795260 1027302521 /nfs/dbraw/zinc/30/25/21/1027302521.db2.gz AUZPLLMSHJDSCB-LEWJYISDSA-N 2 1 382.504 3.687 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC001141795260 1027302542 /nfs/dbraw/zinc/30/25/42/1027302542.db2.gz AUZPLLMSHJDSCB-LEWJYISDSA-N 2 1 382.504 3.687 20 0 GHADMP CCOc1ccccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001203541403 1027419156 /nfs/dbraw/zinc/41/91/56/1027419156.db2.gz WMDHDHGFXHKQIQ-UHFFFAOYSA-N 2 1 395.547 3.595 20 0 GHADMP Fc1c(Br)cc(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271668 1027419394 /nfs/dbraw/zinc/41/93/94/1027419394.db2.gz ZLRPOBZVCIJPRX-UHFFFAOYSA-N 2 1 385.668 3.790 20 0 GHADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)c1 ZINC001203747225 1027568963 /nfs/dbraw/zinc/56/89/63/1027568963.db2.gz DDMDHAJNYJEKRH-WXFUMESZSA-N 2 1 386.580 3.784 20 0 GHADMP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC001203981990 1027778893 /nfs/dbraw/zinc/77/88/93/1027778893.db2.gz ISOZIXOKJUGRDD-UHFFFAOYSA-N 2 1 379.548 3.604 20 0 GHADMP C[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC001211279091 1027884685 /nfs/dbraw/zinc/88/46/85/1027884685.db2.gz ZSTBOHSUSBMCOC-GPMSIDNRSA-N 2 1 380.964 3.505 20 0 GHADMP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204129085 1027901614 /nfs/dbraw/zinc/90/16/14/1027901614.db2.gz GVOMJGWNLHPXLS-KSEOMHKRSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204129085 1027901620 /nfs/dbraw/zinc/90/16/20/1027901620.db2.gz GVOMJGWNLHPXLS-KSEOMHKRSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204129085 1027901629 /nfs/dbraw/zinc/90/16/29/1027901629.db2.gz GVOMJGWNLHPXLS-KSEOMHKRSA-N 2 1 395.547 3.918 20 0 GHADMP CCOc1cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1O ZINC001204129085 1027901633 /nfs/dbraw/zinc/90/16/33/1027901633.db2.gz GVOMJGWNLHPXLS-KSEOMHKRSA-N 2 1 395.547 3.918 20 0 GHADMP CCCc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)cc1 ZINC001142353909 1028737007 /nfs/dbraw/zinc/73/70/07/1028737007.db2.gz DOLSTGYEFQHMRL-SGNDLWITSA-N 2 1 393.579 3.606 20 0 GHADMP CCCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)cc1 ZINC001142353909 1028737025 /nfs/dbraw/zinc/73/70/25/1028737025.db2.gz DOLSTGYEFQHMRL-SGNDLWITSA-N 2 1 393.579 3.606 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001142353909 1028737043 /nfs/dbraw/zinc/73/70/43/1028737043.db2.gz DOLSTGYEFQHMRL-SGNDLWITSA-N 2 1 393.579 3.606 20 0 GHADMP CCCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001142353909 1028737057 /nfs/dbraw/zinc/73/70/57/1028737057.db2.gz DOLSTGYEFQHMRL-SGNDLWITSA-N 2 1 393.579 3.606 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@H]21 ZINC001142686896 1029269853 /nfs/dbraw/zinc/26/98/53/1029269853.db2.gz KFOQTOMKHZVQJE-UCNVEGJOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@H]21 ZINC001142686896 1029269868 /nfs/dbraw/zinc/26/98/68/1029269868.db2.gz KFOQTOMKHZVQJE-UCNVEGJOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cccc4[nH]cnc43)C[C@H]21 ZINC001142686896 1029269880 /nfs/dbraw/zinc/26/98/80/1029269880.db2.gz KFOQTOMKHZVQJE-UCNVEGJOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc4[nH]cnc43)C[C@H]21 ZINC001142686896 1029269894 /nfs/dbraw/zinc/26/98/94/1029269894.db2.gz KFOQTOMKHZVQJE-UCNVEGJOSA-N 2 1 375.520 3.690 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC001143140425 1029865476 /nfs/dbraw/zinc/86/54/76/1029865476.db2.gz PTKPQDIBUFZNRN-JOCHJYFZSA-N 2 1 391.559 3.746 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001222009464 1029929145 /nfs/dbraw/zinc/92/91/45/1029929145.db2.gz ILQIMXALSCXPMB-GOTSBHOMSA-N 2 1 398.595 3.920 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001222009463 1029929225 /nfs/dbraw/zinc/92/92/25/1029929225.db2.gz ILQIMXALSCXPMB-DHIUTWEWSA-N 2 1 398.595 3.920 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC001222010106 1029929980 /nfs/dbraw/zinc/92/99/80/1029929980.db2.gz QFNDTIMSMQQPPZ-VXKWHMMOSA-N 2 1 386.584 3.585 20 0 GHADMP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364216 1029940726 /nfs/dbraw/zinc/94/07/26/1029940726.db2.gz RYJIZTAYAUHSEV-LJQANCHMSA-N 2 1 393.531 3.668 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363786 1029942603 /nfs/dbraw/zinc/94/26/03/1029942603.db2.gz ANGKXLGXIRNMHM-GFCCVEGCSA-N 2 1 389.849 3.761 20 0 GHADMP Clc1ccc(Cl)c(-c2ccc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)o2)c1 ZINC001222090453 1029961443 /nfs/dbraw/zinc/96/14/43/1029961443.db2.gz CGWAMPIXKOMSOK-UHFFFAOYSA-N 2 1 380.319 3.781 20 0 GHADMP FC(F)(F)c1ccc(-c2ccc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222090781 1029961581 /nfs/dbraw/zinc/96/15/81/1029961581.db2.gz KOFZFDIFVOFCIB-UHFFFAOYSA-N 2 1 389.465 3.900 20 0 GHADMP FC(F)(F)c1ccc(-c2cccc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)c2)cc1 ZINC001222095032 1029962830 /nfs/dbraw/zinc/96/28/30/1029962830.db2.gz MUPZGLCUKYFKLA-UHFFFAOYSA-N 2 1 389.465 3.900 20 0 GHADMP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CN1C(=O)OC(C)(C)C ZINC000843426570 1029998343 /nfs/dbraw/zinc/99/83/43/1029998343.db2.gz AIHAHSCNVRTDKG-KCLUMXDGSA-N 2 1 387.568 3.709 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1CC[C@H](C)CCCC(C)(C)OC)CC[NH2+]CC2 ZINC001222215386 1030011494 /nfs/dbraw/zinc/01/14/94/1030011494.db2.gz DGMSBQJPMPVMIA-RTBURBONSA-N 2 1 382.589 3.615 20 0 GHADMP FC(F)(F)c1ccc(C(F)(F)F)c(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407349 1030110987 /nfs/dbraw/zinc/11/09/87/1030110987.db2.gz GENDBVWGEPPMFK-UHFFFAOYSA-N 2 1 396.375 3.926 20 0 GHADMP FC(F)(F)c1ccc(C(F)(F)F)c(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407349 1030110998 /nfs/dbraw/zinc/11/09/98/1030110998.db2.gz GENDBVWGEPPMFK-UHFFFAOYSA-N 2 1 396.375 3.926 20 0 GHADMP Cc1cc(OCc2ccccc2)ccc1C[N@H+]1CCOCC2(CC[NH2+]CC2)C1 ZINC001222407897 1030112495 /nfs/dbraw/zinc/11/24/95/1030112495.db2.gz QQPJJPMQHNUGSG-UHFFFAOYSA-N 2 1 380.532 3.776 20 0 GHADMP [NH3+]CC1(F)CC[NH+](Cc2ccc(OC(F)(F)F)cc2Br)CC1 ZINC001222548540 1030192505 /nfs/dbraw/zinc/19/25/05/1030192505.db2.gz QMUCSXJGFYSNHI-UHFFFAOYSA-N 2 1 385.199 3.611 20 0 GHADMP c1[nH]nc2cccc(C[N@H+]3[C@@H](COCc4ccccc4)CCC34CC[NH2+]CC4)c12 ZINC001222582845 1030210953 /nfs/dbraw/zinc/21/09/53/1030210953.db2.gz IFQRWNWBCSYAJT-OAQYLSRUSA-N 2 1 390.531 3.866 20 0 GHADMP Clc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1-n1ccnc1 ZINC001222609308 1030232288 /nfs/dbraw/zinc/23/22/88/1030232288.db2.gz NAAJPQIRUSXVOO-LJQANCHMSA-N 2 1 378.907 3.715 20 0 GHADMP Clc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)ccc1-n1ccnc1 ZINC001222609308 1030232305 /nfs/dbraw/zinc/23/23/05/1030232305.db2.gz NAAJPQIRUSXVOO-LJQANCHMSA-N 2 1 378.907 3.715 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(OCc2ccccc2)c1OC ZINC001222629684 1030250474 /nfs/dbraw/zinc/25/04/74/1030250474.db2.gz LMLOTSGKWROXFJ-OYRHEFFESA-N 2 1 396.531 3.714 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC001222665313 1030267492 /nfs/dbraw/zinc/26/74/92/1030267492.db2.gz BUQCPFXZAHZCNC-OIBXWCBGSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001222665313 1030267510 /nfs/dbraw/zinc/26/75/10/1030267510.db2.gz BUQCPFXZAHZCNC-OIBXWCBGSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001222665313 1030267523 /nfs/dbraw/zinc/26/75/23/1030267523.db2.gz BUQCPFXZAHZCNC-OIBXWCBGSA-N 2 1 398.595 3.735 20 0 GHADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC001222665295 1030268052 /nfs/dbraw/zinc/26/80/52/1030268052.db2.gz AZXGCHAAOYQYEC-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001222665295 1030268063 /nfs/dbraw/zinc/26/80/63/1030268063.db2.gz AZXGCHAAOYQYEC-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001222665295 1030268073 /nfs/dbraw/zinc/26/80/73/1030268073.db2.gz AZXGCHAAOYQYEC-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP [NH3+][C@@H](CSc1ccccc1)Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217735931 1030635081 /nfs/dbraw/zinc/63/50/81/1030635081.db2.gz ZBBSEFQOHQLCIB-RTBURBONSA-N 2 1 394.544 3.721 20 0 GHADMP CC(C)C[C@H](CNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC001223664755 1030694530 /nfs/dbraw/zinc/69/45/30/1030694530.db2.gz YHVUYCOBXBNSCL-XHYAQGIWSA-N 2 1 386.584 3.534 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001217966810 1030694568 /nfs/dbraw/zinc/69/45/68/1030694568.db2.gz DBASCCXUDJKXFP-CPJSRVTESA-N 2 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001217966810 1030694579 /nfs/dbraw/zinc/69/45/79/1030694579.db2.gz DBASCCXUDJKXFP-CPJSRVTESA-N 3 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001217966810 1030694585 /nfs/dbraw/zinc/69/45/85/1030694585.db2.gz DBASCCXUDJKXFP-CPJSRVTESA-N 3 1 393.575 3.899 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2C[NH2+]CCC[C@H]2F)c1-3 ZINC001217982105 1030704437 /nfs/dbraw/zinc/70/44/37/1030704437.db2.gz RVAHQIUKYVCMOM-QWFCFKBJSA-N 2 1 382.479 3.613 20 0 GHADMP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](Cc3sc(Cl)c4ccccc43)C2)C1=O ZINC001276937485 1030844346 /nfs/dbraw/zinc/84/43/46/1030844346.db2.gz CXNOUTVWOTZYNP-HXUWFJFHSA-N 2 1 391.968 3.541 20 0 GHADMP C[N@H+]1CCc2cc(Cl)c(O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)cc2[C@@H](c2ccccc2)C1 ZINC001218329797 1030896713 /nfs/dbraw/zinc/89/67/13/1030896713.db2.gz GHYFFBKNFJDVHU-LLMJNHHCSA-N 2 1 382.935 3.947 20 0 GHADMP CC(C)(C)[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219347289 1031370681 /nfs/dbraw/zinc/37/06/81/1031370681.db2.gz LAIIXTTZUUNDII-RBUKOAKNSA-N 2 1 387.474 3.876 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001219940989 1031708659 /nfs/dbraw/zinc/70/86/59/1031708659.db2.gz KBQCMPNAIUHPFT-QTJGBDASSA-N 2 1 391.559 3.756 20 0 GHADMP C[C@H](NC(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001226057079 1031761752 /nfs/dbraw/zinc/76/17/52/1031761752.db2.gz JDWJUIICEMIEJM-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001226057079 1031761763 /nfs/dbraw/zinc/76/17/63/1031761763.db2.gz JDWJUIICEMIEJM-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC001226057079 1031761782 /nfs/dbraw/zinc/76/17/82/1031761782.db2.gz JDWJUIICEMIEJM-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001226057079 1031761796 /nfs/dbraw/zinc/76/17/96/1031761796.db2.gz JDWJUIICEMIEJM-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001226057079 1031761812 /nfs/dbraw/zinc/76/18/12/1031761812.db2.gz JDWJUIICEMIEJM-ONTIZHBOSA-N 2 1 398.595 3.555 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C[C@@H]1C ZINC001220470335 1031953984 /nfs/dbraw/zinc/95/39/84/1031953984.db2.gz BYUHADCTCXVGJJ-VQTJNVASSA-N 2 1 386.584 3.543 20 0 GHADMP CC[N@@H+](CCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CCCCC1 ZINC001220621590 1032022783 /nfs/dbraw/zinc/02/27/83/1032022783.db2.gz ICFZQMIVGQFPEY-NRFANRHFSA-N 2 1 380.621 3.841 20 0 GHADMP CC(C)(C)[NH+]1CCC(Oc2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001226593276 1032029438 /nfs/dbraw/zinc/02/94/38/1032029438.db2.gz JSSYXVDEQFVESO-UHFFFAOYSA-N 2 1 380.536 3.677 20 0 GHADMP CC(C)(C)[NH+]1CCC(Oc2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001226593276 1032029447 /nfs/dbraw/zinc/02/94/47/1032029447.db2.gz JSSYXVDEQFVESO-UHFFFAOYSA-N 2 1 380.536 3.677 20 0 GHADMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(F)c(OCc3ccccc3)c(Cl)c2)CC1 ZINC001205256544 1033328366 /nfs/dbraw/zinc/32/83/66/1033328366.db2.gz PHKNVJOMOFLIJM-OAQYLSRUSA-N 2 1 392.902 3.734 20 0 GHADMP CC(=O)NC[C@H]1CCC[N@@H+](C[C@@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)C1 ZINC001461836676 1069781886 /nfs/dbraw/zinc/78/18/86/1069781886.db2.gz AOHPYKDPYNUHPR-VWNXMTODSA-N 2 1 385.596 3.773 20 0 GHADMP CC(=O)NC[C@H]1CCC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001461836676 1069781896 /nfs/dbraw/zinc/78/18/96/1069781896.db2.gz AOHPYKDPYNUHPR-VWNXMTODSA-N 2 1 385.596 3.773 20 0 GHADMP CC(=O)NC[C@H]1CCC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001461836676 1069781900 /nfs/dbraw/zinc/78/19/00/1069781900.db2.gz AOHPYKDPYNUHPR-VWNXMTODSA-N 2 1 385.596 3.773 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(C)[C@@]3(C)CCC[NH2+]C3)c2c1C ZINC001156976552 1033351151 /nfs/dbraw/zinc/35/11/51/1033351151.db2.gz JJBUTDOZRXKZIT-NRFANRHFSA-N 2 1 387.597 3.872 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cccc(Br)c2Br)CC1 ZINC001205578524 1033477701 /nfs/dbraw/zinc/47/77/01/1033477701.db2.gz DSWQJZOWXBKQRL-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(Br)c2Br)CC1 ZINC001205578524 1033477706 /nfs/dbraw/zinc/47/77/06/1033477706.db2.gz DSWQJZOWXBKQRL-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205616752 1033493961 /nfs/dbraw/zinc/49/39/61/1033493961.db2.gz GWFLXUULNPFYOD-OALUTQOASA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc1 ZINC001205616752 1033493969 /nfs/dbraw/zinc/49/39/69/1033493969.db2.gz GWFLXUULNPFYOD-OALUTQOASA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(F)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001205634462 1033503119 /nfs/dbraw/zinc/50/31/19/1033503119.db2.gz WONKWJCQSVSSJQ-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001461860080 1069798111 /nfs/dbraw/zinc/79/81/11/1069798111.db2.gz DAQFLGFQBTXSNI-PKTZIBPZSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001461860080 1069798132 /nfs/dbraw/zinc/79/81/32/1069798132.db2.gz DAQFLGFQBTXSNI-PKTZIBPZSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001461860080 1069798149 /nfs/dbraw/zinc/79/81/49/1069798149.db2.gz DAQFLGFQBTXSNI-PKTZIBPZSA-N 2 1 378.516 3.960 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001461860080 1069798171 /nfs/dbraw/zinc/79/81/71/1069798171.db2.gz DAQFLGFQBTXSNI-PKTZIBPZSA-N 2 1 378.516 3.960 20 0 GHADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N(c2cnccn2)C2CC[NH2+]CC2)nc1 ZINC001157544182 1033649227 /nfs/dbraw/zinc/64/92/27/1033649227.db2.gz FUCLXEMGEHBMCX-FQEVSTJZSA-N 2 1 380.540 3.699 20 0 GHADMP [NH3+][C@@H]1CC[N@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC[C@@H]1F ZINC001206172740 1033753321 /nfs/dbraw/zinc/75/33/21/1033753321.db2.gz BPYNZVVEPSJMII-RBUKOAKNSA-N 2 1 386.902 3.999 20 0 GHADMP [NH3+][C@@H]1CC[N@@H+](Cc2cn(Cc3ccc(Cl)nc3)c3ccccc23)CC[C@@H]1F ZINC001206172740 1033753329 /nfs/dbraw/zinc/75/33/29/1033753329.db2.gz BPYNZVVEPSJMII-RBUKOAKNSA-N 2 1 386.902 3.999 20 0 GHADMP [NH3+]C[C@@]1(F)CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)C1 ZINC001157817166 1033781245 /nfs/dbraw/zinc/78/12/45/1033781245.db2.gz KHGUIWQAVAIWRS-QHCPKHFHSA-N 2 1 387.462 3.965 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cnc2Br)CC1 ZINC001206311082 1033790020 /nfs/dbraw/zinc/79/00/20/1033790020.db2.gz IDUWOAYMQDMJKM-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cnc2Br)CC1 ZINC001206311082 1033790036 /nfs/dbraw/zinc/79/00/36/1033790036.db2.gz IDUWOAYMQDMJKM-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)c2n1 ZINC001206318612 1033793747 /nfs/dbraw/zinc/79/37/47/1033793747.db2.gz RYGRLRRZIQGJSK-IBGZPJMESA-N 2 1 392.341 3.957 20 0 GHADMP C[C@]1(F)CCCC[N@H+](Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001206406024 1033830721 /nfs/dbraw/zinc/83/07/21/1033830721.db2.gz UMYNBJUKANJGIF-SFHVURJKSA-N 2 1 384.337 3.573 20 0 GHADMP C[C@]1(F)CCCC[N@@H+](Cc2cc(Br)ccc2N2CC[NH2+]CC2)C1 ZINC001206406024 1033830738 /nfs/dbraw/zinc/83/07/38/1033830738.db2.gz UMYNBJUKANJGIF-SFHVURJKSA-N 2 1 384.337 3.573 20 0 GHADMP COc1ccc(C(C)(C)C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC001206411574 1033832254 /nfs/dbraw/zinc/83/22/54/1033832254.db2.gz XEXGWANACAKQKQ-CTNGQTDRSA-N 2 1 382.548 3.916 20 0 GHADMP O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157967515 1033841491 /nfs/dbraw/zinc/84/14/91/1033841491.db2.gz DPYALEIFZTWBHM-IRLDBZIGSA-N 2 1 397.950 3.725 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N(C(C)C)[C@@H]3CC[NH2+]C3)c2c1C ZINC001158033074 1033873813 /nfs/dbraw/zinc/87/38/13/1033873813.db2.gz PCMLVACVSDFHTM-QGZVFWFLSA-N 2 1 387.597 3.871 20 0 GHADMP COc1ccc(-c2ncc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)s2)cc1OC ZINC001206563462 1033907868 /nfs/dbraw/zinc/90/78/68/1033907868.db2.gz DDBHJXLSMSVEGM-FQEVSTJZSA-N 2 1 375.538 3.778 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+]3CCCC[C@](C)(C[NH3+])C3)c2n1 ZINC001206563869 1033909361 /nfs/dbraw/zinc/90/93/61/1033909361.db2.gz JCRJOLOZEVFHIY-LJQANCHMSA-N 2 1 392.341 3.957 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)c2n1 ZINC001206563869 1033909368 /nfs/dbraw/zinc/90/93/68/1033909368.db2.gz JCRJOLOZEVFHIY-LJQANCHMSA-N 2 1 392.341 3.957 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CCc4nccn4C2)c1-3 ZINC001230130030 1033913108 /nfs/dbraw/zinc/91/31/08/1033913108.db2.gz TYEIQRHRHNZGBF-IEBWSBKVSA-N 2 1 387.483 3.735 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H]2CCc4[nH+]ccn4C2)c1-3 ZINC001230130030 1033913117 /nfs/dbraw/zinc/91/31/17/1033913117.db2.gz TYEIQRHRHNZGBF-IEBWSBKVSA-N 2 1 387.483 3.735 20 0 GHADMP Fc1ccc(OCC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001206723141 1033958210 /nfs/dbraw/zinc/95/82/10/1033958210.db2.gz UYSMPDNFWFQJIA-UHFFFAOYSA-N 2 1 398.522 3.949 20 0 GHADMP COC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206734943 1033962249 /nfs/dbraw/zinc/96/22/49/1033962249.db2.gz KOZDLGHXMJSIMQ-HSZRJFAPSA-N 2 1 394.515 3.643 20 0 GHADMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001206734943 1033962253 /nfs/dbraw/zinc/96/22/53/1033962253.db2.gz KOZDLGHXMJSIMQ-HSZRJFAPSA-N 2 1 394.515 3.643 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(Cl)c(Br)n2)CC1 ZINC001206755067 1033969281 /nfs/dbraw/zinc/96/92/81/1033969281.db2.gz AFKSRRUTZVALNK-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP COc1cc[nH+]c(N(C2CC[NH2+]CC2)C(F)(F)c2nc(Cl)ccc2F)c1 ZINC001158322623 1034023391 /nfs/dbraw/zinc/02/33/91/1034023391.db2.gz HRTMWGBNDKREAX-UHFFFAOYSA-N 2 1 386.805 3.586 20 0 GHADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)COCc1ccccc1 ZINC001206990961 1034044278 /nfs/dbraw/zinc/04/42/78/1034044278.db2.gz JQBPWGOLBFQGQR-QLBJFCOMSA-N 2 1 394.559 3.912 20 0 GHADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)COCc1ccccc1 ZINC001206990961 1034044294 /nfs/dbraw/zinc/04/42/94/1034044294.db2.gz JQBPWGOLBFQGQR-QLBJFCOMSA-N 2 1 394.559 3.912 20 0 GHADMP Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001207134592 1034117521 /nfs/dbraw/zinc/11/75/21/1034117521.db2.gz PZBQTIXKXCGRBJ-QGZVFWFLSA-N 2 1 375.538 3.608 20 0 GHADMP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001158547079 1034143814 /nfs/dbraw/zinc/14/38/14/1034143814.db2.gz SWIINYLJCYXNHY-XZOQPEGZSA-N 2 1 399.623 3.971 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001207216564 1034184356 /nfs/dbraw/zinc/18/43/56/1034184356.db2.gz QSOVGMNONFSBRK-IBGZPJMESA-N 2 1 399.579 3.766 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001207216564 1034184366 /nfs/dbraw/zinc/18/43/66/1034184366.db2.gz QSOVGMNONFSBRK-IBGZPJMESA-N 2 1 399.579 3.766 20 0 GHADMP CC1=CC[C@@H](CC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)C1(C)C ZINC001207280240 1034233428 /nfs/dbraw/zinc/23/34/28/1034233428.db2.gz QYGYDMFUYNWPLI-XPWALMASSA-N 2 1 383.580 3.987 20 0 GHADMP CC1=CC[C@@H](CC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)C1(C)C ZINC001207280240 1034233444 /nfs/dbraw/zinc/23/34/44/1034233444.db2.gz QYGYDMFUYNWPLI-XPWALMASSA-N 2 1 383.580 3.987 20 0 GHADMP CC1=CC[C@@H](CC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)C1(C)C ZINC001207280240 1034233451 /nfs/dbraw/zinc/23/34/51/1034233451.db2.gz QYGYDMFUYNWPLI-XPWALMASSA-N 2 1 383.580 3.987 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207289301 1034240931 /nfs/dbraw/zinc/24/09/31/1034240931.db2.gz KEWWMVKYGDGDDR-UHFFFAOYSA-N 2 1 375.557 3.745 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291130 1034241721 /nfs/dbraw/zinc/24/17/21/1034241721.db2.gz KMNANRNDKIRQQM-DEOSSOPVSA-N 2 1 383.580 3.766 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@]4(C[C@@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001207291741 1034243688 /nfs/dbraw/zinc/24/36/88/1034243688.db2.gz WQSOCOXZVUPVPD-RPWUZVMVSA-N 2 1 384.564 3.559 20 0 GHADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cn2ccc(Br)cc2n1 ZINC001207301934 1034251667 /nfs/dbraw/zinc/25/16/67/1034251667.db2.gz LKDKXRUMABUSLM-UHFFFAOYSA-N 2 1 379.346 3.795 20 0 GHADMP [NH3+]Cc1ccn(-c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001158767223 1034265474 /nfs/dbraw/zinc/26/54/74/1034265474.db2.gz OMGKFJHQVDEANA-UHFFFAOYSA-N 2 1 381.549 3.805 20 0 GHADMP CC1(C)C[C@H](C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CCO1 ZINC001207357248 1034301962 /nfs/dbraw/zinc/30/19/62/1034301962.db2.gz LMGCRBOBWLZFAV-GPXNEJASSA-N 2 1 390.612 3.652 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)CCO1 ZINC001207357248 1034301978 /nfs/dbraw/zinc/30/19/78/1034301978.db2.gz LMGCRBOBWLZFAV-GPXNEJASSA-N 2 1 390.612 3.652 20 0 GHADMP CC1(C)C[C@H](C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)CCO1 ZINC001207357248 1034301993 /nfs/dbraw/zinc/30/19/93/1034301993.db2.gz LMGCRBOBWLZFAV-GPXNEJASSA-N 2 1 390.612 3.652 20 0 GHADMP O=C([C@@H]1CCC[C@@H](c2ccccc2)[NH2+]1)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001158977025 1034366340 /nfs/dbraw/zinc/36/63/40/1034366340.db2.gz PZHPADBBFFTZKF-VXKWHMMOSA-N 2 1 381.564 3.737 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@]23CCCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001207481696 1034392173 /nfs/dbraw/zinc/39/21/73/1034392173.db2.gz MUEKPFAADGQCHQ-JOCHJYFZSA-N 2 1 379.589 3.974 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001231105144 1034399728 /nfs/dbraw/zinc/39/97/28/1034399728.db2.gz APFYFTPZNXZRSQ-NRFANRHFSA-N 2 1 378.605 3.691 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCN(CC(c3ccccc3)c3ccccc3)CC2)CC1 ZINC001207527594 1034431396 /nfs/dbraw/zinc/43/13/96/1034431396.db2.gz HPELJCKVWWZTLQ-UHFFFAOYSA-N 2 1 377.576 3.778 20 0 GHADMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(-c4cccs4)cc3)CC[C@@H]21 ZINC001231431460 1034579304 /nfs/dbraw/zinc/57/93/04/1034579304.db2.gz ZJFAZHCYAZPAQS-HKBOAZHASA-N 2 1 393.560 3.601 20 0 GHADMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccc(-c4cccs4)cc3)CC[C@@H]21 ZINC001231431460 1034579313 /nfs/dbraw/zinc/57/93/13/1034579313.db2.gz ZJFAZHCYAZPAQS-HKBOAZHASA-N 2 1 393.560 3.601 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccc(-c4cccs4)cc3)CC[C@@H]21 ZINC001231431460 1034579327 /nfs/dbraw/zinc/57/93/27/1034579327.db2.gz ZJFAZHCYAZPAQS-HKBOAZHASA-N 2 1 393.560 3.601 20 0 GHADMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccc(-c4cccs4)cc3)CC[C@@H]21 ZINC001231431460 1034579340 /nfs/dbraw/zinc/57/93/40/1034579340.db2.gz ZJFAZHCYAZPAQS-HKBOAZHASA-N 2 1 393.560 3.601 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC1(c3ccccc3)CC1)CC2 ZINC001207831932 1034609835 /nfs/dbraw/zinc/60/98/35/1034609835.db2.gz HZYSHGXSCGGNQI-HSZRJFAPSA-N 2 1 391.559 3.869 20 0 GHADMP CCc1cc(NC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)nc(C)[nH+]1 ZINC001159521026 1034636705 /nfs/dbraw/zinc/63/67/05/1034636705.db2.gz SLNSHVWDPWVFFF-HSZRJFAPSA-N 2 1 390.531 3.823 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cnccc34)C[C@@H]21 ZINC001231518110 1034669922 /nfs/dbraw/zinc/66/99/22/1034669922.db2.gz MJEHNFTWSDBNLT-JWNTYJGQSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3c[nH]c4cnccc34)C[C@@H]21 ZINC001231518110 1034669930 /nfs/dbraw/zinc/66/99/30/1034669930.db2.gz MJEHNFTWSDBNLT-JWNTYJGQSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c[nH]c4cnccc34)C[C@@H]21 ZINC001231518110 1034669934 /nfs/dbraw/zinc/66/99/34/1034669934.db2.gz MJEHNFTWSDBNLT-JWNTYJGQSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]c4cnccc34)C[C@@H]21 ZINC001231518110 1034669940 /nfs/dbraw/zinc/66/99/40/1034669940.db2.gz MJEHNFTWSDBNLT-JWNTYJGQSA-N 2 1 375.520 3.690 20 0 GHADMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc1 ZINC001231640784 1034798854 /nfs/dbraw/zinc/79/88/54/1034798854.db2.gz GZMMTORRHVHKKL-UHFFFAOYSA-N 2 1 379.548 3.819 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CC3(c4ccccc4)CCOCC3)C2)C1 ZINC001208222365 1034811991 /nfs/dbraw/zinc/81/19/91/1034811991.db2.gz FZKJHVNKLVSJDS-QHCPKHFHSA-N 2 1 386.580 3.558 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CC3(c4ccccc4)CCOCC3)C2)C1 ZINC001208222365 1034812002 /nfs/dbraw/zinc/81/20/02/1034812002.db2.gz FZKJHVNKLVSJDS-QHCPKHFHSA-N 2 1 386.580 3.558 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CC3(c4ccccc4)CCOCC3)C2)C1 ZINC001208222365 1034812006 /nfs/dbraw/zinc/81/20/06/1034812006.db2.gz FZKJHVNKLVSJDS-QHCPKHFHSA-N 2 1 386.580 3.558 20 0 GHADMP Cc1cc(Nc2cccc(CC[NH+]3CCOCC3)c2)ccc1OC1CC[NH2+]CC1 ZINC001160228015 1034909901 /nfs/dbraw/zinc/90/99/01/1034909901.db2.gz XJLMJDISWFCRGV-UHFFFAOYSA-N 2 1 395.547 3.744 20 0 GHADMP NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3-c3ccc(F)cc3)CC2)CC1 ZINC001231825010 1034930889 /nfs/dbraw/zinc/93/08/89/1034930889.db2.gz NFEJRXICBHUEGO-UHFFFAOYSA-N 2 1 395.522 3.654 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C)C1 ZINC001208618841 1034955229 /nfs/dbraw/zinc/95/52/29/1034955229.db2.gz TUOQUCTVHMOXBU-HLAWJBBLSA-N 2 1 376.516 3.701 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208618841 1034955231 /nfs/dbraw/zinc/95/52/31/1034955231.db2.gz TUOQUCTVHMOXBU-HLAWJBBLSA-N 2 1 376.516 3.701 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC001208618841 1034955236 /nfs/dbraw/zinc/95/52/36/1034955236.db2.gz TUOQUCTVHMOXBU-HLAWJBBLSA-N 2 1 376.516 3.701 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208618841 1034955241 /nfs/dbraw/zinc/95/52/41/1034955241.db2.gz TUOQUCTVHMOXBU-HLAWJBBLSA-N 2 1 376.516 3.701 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208618841 1034955243 /nfs/dbraw/zinc/95/52/43/1034955243.db2.gz TUOQUCTVHMOXBU-HLAWJBBLSA-N 2 1 376.516 3.701 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001208613469 1034955257 /nfs/dbraw/zinc/95/52/57/1034955257.db2.gz UZNBAEXMTOMHEO-HNNXBMFYSA-N 2 1 378.973 3.804 20 0 GHADMP C[NH+]1CCC[C@H](C[N@@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001208613469 1034955261 /nfs/dbraw/zinc/95/52/61/1034955261.db2.gz UZNBAEXMTOMHEO-HNNXBMFYSA-N 2 1 378.973 3.804 20 0 GHADMP C[NH+]1CCC[C@H](C[N@H+]2CCCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001208613469 1034955263 /nfs/dbraw/zinc/95/52/63/1034955263.db2.gz UZNBAEXMTOMHEO-HNNXBMFYSA-N 2 1 378.973 3.804 20 0 GHADMP C[C@H](CC[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1)CC(C)(C)C ZINC001208658876 1034972168 /nfs/dbraw/zinc/97/21/68/1034972168.db2.gz DKNMLWMFHPKIRW-LJQANCHMSA-N 2 1 391.604 3.559 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC001231906313 1034982269 /nfs/dbraw/zinc/98/22/69/1034982269.db2.gz QGWJVJBPTNLZMC-QFIPXVFZSA-N 2 1 390.531 3.818 20 0 GHADMP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001160546173 1034999342 /nfs/dbraw/zinc/99/93/42/1034999342.db2.gz JNLZEGUKXPADHX-FYYLOGMGSA-N 2 1 395.547 3.515 20 0 GHADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CCC[N@H+]2Cc2c(C)noc2C)CC1 ZINC001208784477 1035019442 /nfs/dbraw/zinc/01/94/42/1035019442.db2.gz ZCMYHVWQWQTMFY-IBGZPJMESA-N 2 1 391.556 3.701 20 0 GHADMP CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160682044 1035034599 /nfs/dbraw/zinc/03/45/99/1035034599.db2.gz CCGJOXJTZOOBGK-GOTSBHOMSA-N 2 1 379.548 3.521 20 0 GHADMP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001160695150 1035038416 /nfs/dbraw/zinc/03/84/16/1035038416.db2.gz IYCNJDPZQFBNEP-FXAWDEMLSA-N 2 1 377.960 3.715 20 0 GHADMP FC(F)(F)c1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001232070522 1035077851 /nfs/dbraw/zinc/07/78/51/1035077851.db2.gz IVRBSERXJXVKCU-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP FC(F)(F)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001232070522 1035077856 /nfs/dbraw/zinc/07/78/56/1035077856.db2.gz IVRBSERXJXVKCU-UHFFFAOYSA-N 2 1 390.453 3.984 20 0 GHADMP Cc1cnc(OC2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC001208944217 1035112958 /nfs/dbraw/zinc/11/29/58/1035112958.db2.gz ORNJHOMMKSGHLB-OAQYLSRUSA-N 2 1 380.536 3.540 20 0 GHADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C[C@@H]1CC[NH+](Cc3ccccc3)C1)[C@H]2C ZINC001208948660 1035118483 /nfs/dbraw/zinc/11/84/83/1035118483.db2.gz YNAJNUXFUBMVFY-RBBKRZOGSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)[C@H]2C ZINC001208948660 1035118486 /nfs/dbraw/zinc/11/84/86/1035118486.db2.gz YNAJNUXFUBMVFY-RBBKRZOGSA-N 2 1 395.595 3.622 20 0 GHADMP CC(C)[NH+](C)Cc1cnc2n1CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)[C@H]2C ZINC001208948660 1035118490 /nfs/dbraw/zinc/11/84/90/1035118490.db2.gz YNAJNUXFUBMVFY-RBBKRZOGSA-N 2 1 395.595 3.622 20 0 GHADMP Cc1ccc2nc(C3CC[NH+](C[C@H]4CC[N@@H+](Cc5ccccc5)C4)CC3)nn2c1 ZINC001208950906 1035122285 /nfs/dbraw/zinc/12/22/85/1035122285.db2.gz FZNDHNQBYYTOIL-OAQYLSRUSA-N 2 1 389.547 3.739 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001232145174 1035123014 /nfs/dbraw/zinc/12/30/14/1035123014.db2.gz XAJIEZKNJPETHN-JOCHJYFZSA-N 2 1 391.531 3.863 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001232145174 1035123018 /nfs/dbraw/zinc/12/30/18/1035123018.db2.gz XAJIEZKNJPETHN-JOCHJYFZSA-N 2 1 391.531 3.863 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001232148800 1035128067 /nfs/dbraw/zinc/12/80/67/1035128067.db2.gz GBJBAXSKWNISOH-UHFFFAOYSA-N 2 1 381.539 3.985 20 0 GHADMP CC(=O)OC[C@H]1CCC2(C1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208957507 1035130102 /nfs/dbraw/zinc/13/01/02/1035130102.db2.gz LHJPNDLPAKMYPF-XZOQPEGZSA-N 2 1 384.564 3.954 20 0 GHADMP O=C(NC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1F ZINC001208961048 1035132649 /nfs/dbraw/zinc/13/26/49/1035132649.db2.gz YGOXVMYWWQWJNB-FQEVSTJZSA-N 2 1 395.522 3.542 20 0 GHADMP c1cn(Cc2ccccc2)c2nc[nH+]c(NC3CC[NH+](Cc4ccncc4)CC3)c12 ZINC001161104121 1035143659 /nfs/dbraw/zinc/14/36/59/1035143659.db2.gz LAHTXGXCQBMIDB-UHFFFAOYSA-N 2 1 398.514 3.951 20 0 GHADMP CN1CCC([N@H+](Cc2ccc(F)cc2)C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC001209006592 1035146953 /nfs/dbraw/zinc/14/69/53/1035146953.db2.gz HNDBNWSSACBUER-FQEVSTJZSA-N 2 1 391.531 3.731 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001209008453 1035147921 /nfs/dbraw/zinc/14/79/21/1035147921.db2.gz WFBMXHLITYLBMF-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209008453 1035147928 /nfs/dbraw/zinc/14/79/28/1035147928.db2.gz WFBMXHLITYLBMF-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209008453 1035147932 /nfs/dbraw/zinc/14/79/32/1035147932.db2.gz WFBMXHLITYLBMF-FDFHNCONSA-N 2 1 399.579 3.840 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(C)c1 ZINC001232186418 1035151962 /nfs/dbraw/zinc/15/19/62/1035151962.db2.gz QDEGCSFHKSXLGR-UHFFFAOYSA-N 2 1 392.547 3.837 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC001232189441 1035153835 /nfs/dbraw/zinc/15/38/35/1035153835.db2.gz GDYGYCARAIJBLC-PKTZIBPZSA-N 2 1 377.532 3.907 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC001232189441 1035153839 /nfs/dbraw/zinc/15/38/39/1035153839.db2.gz GDYGYCARAIJBLC-PKTZIBPZSA-N 2 1 377.532 3.907 20 0 GHADMP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC001161160839 1035163292 /nfs/dbraw/zinc/16/32/92/1035163292.db2.gz HFEOFFLUYVKMQA-LJQANCHMSA-N 2 1 393.453 3.686 20 0 GHADMP Clc1ccc(CC[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(Cl)c1 ZINC001209081495 1035165649 /nfs/dbraw/zinc/16/56/49/1035165649.db2.gz RAPCVJDFSNPSOK-UHFFFAOYSA-N 2 1 393.362 3.887 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC4(CC2)OCCO4)C3)cc1 ZINC001209103831 1035174066 /nfs/dbraw/zinc/17/40/66/1035174066.db2.gz KVVVWBMUNQJSTI-HSZRJFAPSA-N 2 1 384.564 3.908 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC4(CC2)OCCO4)C3)cc1 ZINC001209103831 1035174071 /nfs/dbraw/zinc/17/40/71/1035174071.db2.gz KVVVWBMUNQJSTI-HSZRJFAPSA-N 2 1 384.564 3.908 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC4(CC2)OCCO4)C3)cc1 ZINC001209103831 1035174076 /nfs/dbraw/zinc/17/40/76/1035174076.db2.gz KVVVWBMUNQJSTI-HSZRJFAPSA-N 2 1 384.564 3.908 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001209117731 1035180843 /nfs/dbraw/zinc/18/08/43/1035180843.db2.gz CEKWVFOXEDFMSU-KRWDZBQOSA-N 2 1 398.469 3.597 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001209117731 1035180849 /nfs/dbraw/zinc/18/08/49/1035180849.db2.gz CEKWVFOXEDFMSU-KRWDZBQOSA-N 2 1 398.469 3.597 20 0 GHADMP CN(CCC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001209138753 1035189582 /nfs/dbraw/zinc/18/95/82/1035189582.db2.gz BTRQHMIKGDQURY-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP CN(CCC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C(=O)OC(C)(C)C ZINC001209138753 1035189587 /nfs/dbraw/zinc/18/95/87/1035189587.db2.gz BTRQHMIKGDQURY-LEWJYISDSA-N 2 1 387.568 3.697 20 0 GHADMP Cc1ccc(CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397581 1035221789 /nfs/dbraw/zinc/22/17/89/1035221789.db2.gz ZSXXSTYLOFRECF-FUDKSRODSA-N 2 1 395.547 3.851 20 0 GHADMP Cc1ccc(CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161397581 1035221791 /nfs/dbraw/zinc/22/17/91/1035221791.db2.gz ZSXXSTYLOFRECF-FUDKSRODSA-N 2 1 395.547 3.851 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](Nc3ncnc4c3CC[NH2+]C4)[C@@H](c3ccccc3)C2)cc1 ZINC001161456037 1035234753 /nfs/dbraw/zinc/23/47/53/1035234753.db2.gz FPSZAHWQPYKXHK-DHIUTWEWSA-N 2 1 399.542 3.593 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](CCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209372335 1035258099 /nfs/dbraw/zinc/25/80/99/1035258099.db2.gz XANHAYXOJLETSV-QFIPXVFZSA-N 2 1 397.604 3.504 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](CCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209372335 1035258102 /nfs/dbraw/zinc/25/81/02/1035258102.db2.gz XANHAYXOJLETSV-QFIPXVFZSA-N 2 1 397.604 3.504 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](CCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209372335 1035258108 /nfs/dbraw/zinc/25/81/08/1035258108.db2.gz XANHAYXOJLETSV-QFIPXVFZSA-N 2 1 397.604 3.504 20 0 GHADMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](CCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC001209372335 1035258112 /nfs/dbraw/zinc/25/81/12/1035258112.db2.gz XANHAYXOJLETSV-QFIPXVFZSA-N 2 1 397.604 3.504 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)C[C@H](C)O1 ZINC001209383349 1035264410 /nfs/dbraw/zinc/26/44/10/1035264410.db2.gz VLSFPPGGEBYKTN-IYWMVGAKSA-N 2 1 376.541 3.539 20 0 GHADMP COC1CCC(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001209392930 1035268191 /nfs/dbraw/zinc/26/81/91/1035268191.db2.gz NWPHGKFPZGRYEZ-GPJFCIFZSA-N 2 1 376.541 3.540 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CCN(CCC[NH+]2CCCCC2)CC3)c1 ZINC001209449991 1035276886 /nfs/dbraw/zinc/27/68/86/1035276886.db2.gz GLBUPQJOYIEGLO-UHFFFAOYSA-N 2 1 385.596 3.859 20 0 GHADMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](CCC[NH+]2CCCCC2)CC3)c1 ZINC001209449991 1035276887 /nfs/dbraw/zinc/27/68/87/1035276887.db2.gz GLBUPQJOYIEGLO-UHFFFAOYSA-N 3 1 385.596 3.859 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CCC[NH+]2CCCCC2)CC3)c1 ZINC001209449991 1035276892 /nfs/dbraw/zinc/27/68/92/1035276892.db2.gz GLBUPQJOYIEGLO-UHFFFAOYSA-N 3 1 385.596 3.859 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C(=O)NCCC[NH+](C)C)cc2)nc1 ZINC001241780265 1035696132 /nfs/dbraw/zinc/69/61/32/1035696132.db2.gz NLCVCIPWTCYMJJ-LJQANCHMSA-N 2 1 394.563 3.805 20 0 GHADMP c1cc(-c2noc(C3CCC4(CCC[NH2+]C4)CC3)n2)ccc1C[NH+]1CCOCC1 ZINC001248327548 1035755737 /nfs/dbraw/zinc/75/57/37/1035755737.db2.gz MDHCCONBISIORM-UHFFFAOYSA-N 2 1 396.535 3.596 20 0 GHADMP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C[C@@H]2C1 ZINC001248743456 1036101491 /nfs/dbraw/zinc/10/14/91/1036101491.db2.gz WMMDITTXCOWYHY-PMACEKPBSA-N 2 1 385.552 3.758 20 0 GHADMP C[NH+](C)Cc1cccc(-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c1F ZINC001244865077 1036690904 /nfs/dbraw/zinc/69/09/04/1036690904.db2.gz YWKBHHNEIHURIB-UHFFFAOYSA-N 2 1 376.479 3.903 20 0 GHADMP C[NH+](C)Cc1cccc(-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c1F ZINC001244865077 1036690917 /nfs/dbraw/zinc/69/09/17/1036690917.db2.gz YWKBHHNEIHURIB-UHFFFAOYSA-N 2 1 376.479 3.903 20 0 GHADMP C[C@@](O)(C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1)c1ccccc1 ZINC001246009269 1037129827 /nfs/dbraw/zinc/12/98/27/1037129827.db2.gz XMIVDHNBJKBJKE-LJQANCHMSA-N 2 1 378.438 3.781 20 0 GHADMP O[C@@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001246028629 1037146231 /nfs/dbraw/zinc/14/62/31/1037146231.db2.gz CKRIABUQTNXJPP-GOSISDBHSA-N 2 1 393.531 3.669 20 0 GHADMP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001246058693 1037172269 /nfs/dbraw/zinc/17/22/69/1037172269.db2.gz KXYILDWVUUGUHY-OFAXGOBFSA-N 2 1 388.502 3.540 20 0 GHADMP O[C@]1(CN2CC[C@H]3Nc4ccc(Cl)cc4[C@H]3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001246062750 1037176202 /nfs/dbraw/zinc/17/62/02/1037176202.db2.gz GAPFPIZNLXBJQB-MZYLBHOOSA-N 2 1 397.950 3.560 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246066356 1037177202 /nfs/dbraw/zinc/17/72/02/1037177202.db2.gz YMKLWZPKRYTBAJ-WMZHIEFXSA-N 2 1 394.575 3.974 20 0 GHADMP CCCC[C@H](CC)COC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246066356 1037177223 /nfs/dbraw/zinc/17/72/23/1037177223.db2.gz YMKLWZPKRYTBAJ-WMZHIEFXSA-N 2 1 394.575 3.974 20 0 GHADMP COc1cccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246069059 1037182807 /nfs/dbraw/zinc/18/28/07/1037182807.db2.gz KKUITIONIIASKO-FKBYEOEOSA-N 2 1 398.547 3.515 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001246072415 1037189080 /nfs/dbraw/zinc/18/90/80/1037189080.db2.gz ZNYMMTXBOSMCGI-IBGZPJMESA-N 2 1 393.531 3.667 20 0 GHADMP C[C@]1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCNCC1(F)F ZINC001246218580 1037243088 /nfs/dbraw/zinc/24/30/88/1037243088.db2.gz BOSUSCPCCUIHGE-PLACYPQZSA-N 2 1 377.523 3.797 20 0 GHADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001246227720 1037246980 /nfs/dbraw/zinc/24/69/80/1037246980.db2.gz HRGXPNIQBXBATB-SFTDATJTSA-N 2 1 386.486 3.957 20 0 GHADMP COC(=O)[C@](C)([NH3+])Cc1cn([C@@H]2CC[NH2+]C3(CCCCC3)C2)c2ccccc12 ZINC001246247732 1037252487 /nfs/dbraw/zinc/25/24/87/1037252487.db2.gz XKHCLYMZYPBMRN-XMSQKQJNSA-N 2 1 383.536 3.702 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC001246276613 1037273334 /nfs/dbraw/zinc/27/33/34/1037273334.db2.gz DJQJSLGWPSXQRT-SMQFJCFBSA-N 2 1 379.523 3.647 20 0 GHADMP COc1cc(NC(=O)[C@H](CC(C)C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc2ccccc21 ZINC001246289612 1037278689 /nfs/dbraw/zinc/27/86/89/1037278689.db2.gz QAJYATCYUIVGAQ-MMOPVJDHSA-N 2 1 383.536 3.932 20 0 GHADMP COCC[N@@H+](Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)[C@H]1CC[C@H](C)C1 ZINC001462176205 1070054811 /nfs/dbraw/zinc/05/48/11/1070054811.db2.gz MKGMQNZLGSGZCI-YOEHRIQHSA-N 2 1 384.467 3.707 20 0 GHADMP C[C@H]1C[C@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)CC[NH2+]1 ZINC001246311078 1037290854 /nfs/dbraw/zinc/29/08/54/1037290854.db2.gz JQSWQPNQFIJJPV-WEYGHZABSA-N 2 1 391.515 3.568 20 0 GHADMP C[C@@H](C[NH3+])CN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322133 1037293782 /nfs/dbraw/zinc/29/37/82/1037293782.db2.gz FRJQHYMKIAPGBQ-BPUWIUIQSA-N 2 1 377.576 3.936 20 0 GHADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322133 1037293797 /nfs/dbraw/zinc/29/37/97/1037293797.db2.gz FRJQHYMKIAPGBQ-BPUWIUIQSA-N 3 1 377.576 3.936 20 0 GHADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246322133 1037293819 /nfs/dbraw/zinc/29/38/19/1037293819.db2.gz FRJQHYMKIAPGBQ-BPUWIUIQSA-N 3 1 377.576 3.936 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)CCN1 ZINC001246331111 1037297527 /nfs/dbraw/zinc/29/75/27/1037297527.db2.gz HRUZXRIKVNIYDT-IRLDBZIGSA-N 2 1 385.527 3.657 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]([NH3+])Cc1cn([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC001246347681 1037308488 /nfs/dbraw/zinc/30/84/88/1037308488.db2.gz BIFCRZHIGGFJTD-XFKSJGNHSA-N 2 1 383.536 3.698 20 0 GHADMP C[NH2+]CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC001246417997 1037373547 /nfs/dbraw/zinc/37/35/47/1037373547.db2.gz PXQJJANSTABZEV-MBSDFSHPSA-N 2 1 375.516 3.977 20 0 GHADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2(c3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C1 ZINC001246421591 1037379273 /nfs/dbraw/zinc/37/92/73/1037379273.db2.gz IKEHZEDDOCMIEA-WMLDXEAASA-N 2 1 384.442 3.606 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccc(Cl)c3)CC[NH2+]CC1)C2 ZINC001246425980 1037383259 /nfs/dbraw/zinc/38/32/59/1037383259.db2.gz NGTKZFJXGQNPFF-WKCHPHFGSA-N 3 1 375.988 3.857 20 0 GHADMP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(Cc3cccc(Cl)c3)CC[NH2+]CC1)C2 ZINC001246425980 1037383273 /nfs/dbraw/zinc/38/32/73/1037383273.db2.gz NGTKZFJXGQNPFF-WKCHPHFGSA-N 2 1 375.988 3.857 20 0 GHADMP CC1(C)C[C@H](N[C@@H]([C@@H]2CCC[NH2+]C2)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246480574 1037428874 /nfs/dbraw/zinc/42/88/74/1037428874.db2.gz CSUPLEHZTXNHLW-QRVBRYPASA-N 2 1 383.502 3.950 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC[NH2+]1 ZINC001246494425 1037439548 /nfs/dbraw/zinc/43/95/48/1037439548.db2.gz YTQVMUSHKLKCRU-HSALFYBXSA-N 2 1 391.625 3.700 20 0 GHADMP CC[C@@H]1C[C@H](NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCOC)C[C@H](CC)[NH2+]1 ZINC001246512290 1037450087 /nfs/dbraw/zinc/45/00/87/1037450087.db2.gz FBWXCJCCDBFZQX-BQJUDKOJSA-N 2 1 381.992 3.858 20 0 GHADMP CC[C@@H]1C[C@H](NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCOC)C[C@H](CC)[NH2+]1 ZINC001246512290 1037450100 /nfs/dbraw/zinc/45/01/00/1037450100.db2.gz FBWXCJCCDBFZQX-BQJUDKOJSA-N 2 1 381.992 3.858 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC001246574209 1037486029 /nfs/dbraw/zinc/48/60/29/1037486029.db2.gz FMFPPHHVVPSRQC-FQEVSTJZSA-N 2 1 381.923 3.535 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@H](N4CCC45C[NH2+]C5)C[C@@H]23)cc1 ZINC001246612088 1037502030 /nfs/dbraw/zinc/50/20/30/1037502030.db2.gz QGEBHEAGPGOFGG-BFLUCZKCSA-N 2 1 387.571 3.799 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246618580 1037509288 /nfs/dbraw/zinc/50/92/88/1037509288.db2.gz HMKBNWDKJNCIEQ-PXNSSMCTSA-N 2 1 382.935 3.895 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)N([C@H]1CCC[N@H+](C3CCCC3)C1)CC2 ZINC001246635006 1037521958 /nfs/dbraw/zinc/52/19/58/1037521958.db2.gz IZFMNPWPQFDTAC-NRFANRHFSA-N 2 1 383.580 3.539 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001246637319 1037522889 /nfs/dbraw/zinc/52/28/89/1037522889.db2.gz NLGKEDPFWFGNOD-SFHVURJKSA-N 2 1 382.935 3.953 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001246637319 1037522898 /nfs/dbraw/zinc/52/28/98/1037522898.db2.gz NLGKEDPFWFGNOD-SFHVURJKSA-N 2 1 382.935 3.953 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)CC[NH2+]1 ZINC001246664445 1037535173 /nfs/dbraw/zinc/53/51/73/1037535173.db2.gz XJRTXOFINAXXMK-ZXMXYHOLSA-N 2 1 379.548 3.672 20 0 GHADMP c1ccc(C[C@H]2C[C@@H](N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CC[NH2+]2)cc1 ZINC001246672964 1037538245 /nfs/dbraw/zinc/53/82/45/1037538245.db2.gz IJTXPUUIHGFFEJ-RSYZFUPGSA-N 2 1 389.587 3.946 20 0 GHADMP CC(C)[C@H]1C[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5cccc(F)c5)nn4C)[C@H]3C2)CC[NH2+]1 ZINC001246674108 1037540959 /nfs/dbraw/zinc/54/09/59/1037540959.db2.gz NLHYVSUKGSKSPI-RSPOEFSDSA-N 2 1 382.527 3.574 20 0 GHADMP CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246678639 1037543116 /nfs/dbraw/zinc/54/31/16/1037543116.db2.gz PAJQHRFHVATMDP-XZOQPEGZSA-N 2 1 380.532 3.805 20 0 GHADMP CC1(C)COC2(CCC([N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)OC1 ZINC001246675682 1037543500 /nfs/dbraw/zinc/54/35/00/1037543500.db2.gz XNAMLQMBZXRKQC-ZJSXRUAMSA-N 2 1 398.591 3.952 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001246679124 1037543558 /nfs/dbraw/zinc/54/35/58/1037543558.db2.gz ZBAVOBIMYSMVHB-IHLLOCCUSA-N 2 1 378.516 3.626 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001246679124 1037543580 /nfs/dbraw/zinc/54/35/80/1037543580.db2.gz ZBAVOBIMYSMVHB-IHLLOCCUSA-N 2 1 378.516 3.626 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+](C2CCC4(CC[NH2+]CC4)CC2)CC3)c1 ZINC001246696693 1037553374 /nfs/dbraw/zinc/55/33/74/1037553374.db2.gz SDKPNBJCYUEQTB-UHFFFAOYSA-N 2 1 394.538 3.996 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+](C2CCC4(CC[NH2+]C4)CC2)CC3)c1 ZINC001246694059 1037553969 /nfs/dbraw/zinc/55/39/69/1037553969.db2.gz LCIPWKGEYHXOMB-UHFFFAOYSA-N 2 1 380.511 3.606 20 0 GHADMP c1ccc(OC[C@@H]2CCC[C@@]23C[N@H+](C2CCC4(CCC[NH2+]C4)CC2)CCO3)nc1 ZINC001246708403 1037561128 /nfs/dbraw/zinc/56/11/28/1037561128.db2.gz JRVRLKDUOMPMLK-QGQLOYOPSA-N 2 1 399.579 3.644 20 0 GHADMP CC[C@@H]1CC(N2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246716108 1037567078 /nfs/dbraw/zinc/56/70/78/1037567078.db2.gz SXZVQXFQHIURAT-SWBPKETKSA-N 2 1 389.584 3.500 20 0 GHADMP CC[C@@H]1CC(N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)C[C@@H](CC)[NH2+]1 ZINC001246716108 1037567097 /nfs/dbraw/zinc/56/70/97/1037567097.db2.gz SXZVQXFQHIURAT-SWBPKETKSA-N 2 1 389.584 3.500 20 0 GHADMP Cc1cccc(CN2CC[C@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)C2=O)c1 ZINC001246729172 1037578060 /nfs/dbraw/zinc/57/80/60/1037578060.db2.gz NRFUBVIAGPMCGP-LADGPHEKSA-N 2 1 395.591 3.874 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)C[C@H](CC)[NH2+]1 ZINC001246736738 1037579972 /nfs/dbraw/zinc/57/99/72/1037579972.db2.gz JBYYWBHOUWKZDE-FNAHDJPLSA-N 2 1 378.601 3.841 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763798 1037607066 /nfs/dbraw/zinc/60/70/66/1037607066.db2.gz DXSLJVGTQTZSMI-KNQBKSORSA-N 3 1 384.612 3.781 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763798 1037607078 /nfs/dbraw/zinc/60/70/78/1037607078.db2.gz DXSLJVGTQTZSMI-KNQBKSORSA-N 3 1 384.612 3.781 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763798 1037607090 /nfs/dbraw/zinc/60/70/90/1037607090.db2.gz DXSLJVGTQTZSMI-KNQBKSORSA-N 3 1 384.612 3.781 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763798 1037607097 /nfs/dbraw/zinc/60/70/97/1037607097.db2.gz DXSLJVGTQTZSMI-KNQBKSORSA-N 3 1 384.612 3.781 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@H]21 ZINC001246763798 1037607111 /nfs/dbraw/zinc/60/71/11/1037607111.db2.gz DXSLJVGTQTZSMI-KNQBKSORSA-N 3 1 384.612 3.781 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764182 1037607897 /nfs/dbraw/zinc/60/78/97/1037607897.db2.gz FQOYGAYWBLBCTM-ILPIOFSMSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764182 1037607906 /nfs/dbraw/zinc/60/79/06/1037607906.db2.gz FQOYGAYWBLBCTM-ILPIOFSMSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764182 1037607910 /nfs/dbraw/zinc/60/79/10/1037607910.db2.gz FQOYGAYWBLBCTM-ILPIOFSMSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764182 1037607923 /nfs/dbraw/zinc/60/79/23/1037607923.db2.gz FQOYGAYWBLBCTM-ILPIOFSMSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC[NH2+]1 ZINC001246764182 1037607933 /nfs/dbraw/zinc/60/79/33/1037607933.db2.gz FQOYGAYWBLBCTM-ILPIOFSMSA-N 3 1 384.612 3.925 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246769001 1037610591 /nfs/dbraw/zinc/61/05/91/1037610591.db2.gz WGSBUXDYJRBSKI-DRSNIGMVSA-N 2 1 391.506 3.704 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246778841 1037618018 /nfs/dbraw/zinc/61/80/18/1037618018.db2.gz ODKBFBYROGRJPE-GMAHTHKFSA-N 2 1 381.564 3.879 20 0 GHADMP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246776523 1037619218 /nfs/dbraw/zinc/61/92/18/1037619218.db2.gz NZGFHAVZXHOCAC-AVRDEDQJSA-N 3 1 384.955 3.933 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)C[C@H](CC)[NH2+]1 ZINC001246782427 1037621259 /nfs/dbraw/zinc/62/12/59/1037621259.db2.gz ZXCYOLKFZLHCIB-SMOZNVCYSA-N 2 1 383.580 3.942 20 0 GHADMP O=C1CC2(CC[NH+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)Oc2ccccc21 ZINC001246795231 1037633868 /nfs/dbraw/zinc/63/38/68/1037633868.db2.gz DEDWEYFFIQBJFT-NHCUHLMSSA-N 2 1 390.527 3.850 20 0 GHADMP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246816790 1037649965 /nfs/dbraw/zinc/64/99/65/1037649965.db2.gz HSUZMXQANKPZAE-RDJZCZTQSA-N 2 1 384.490 3.779 20 0 GHADMP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC[NH2+]1 ZINC001246816791 1037650721 /nfs/dbraw/zinc/65/07/21/1037650721.db2.gz HSUZMXQANKPZAE-WBVHZDCISA-N 2 1 384.490 3.779 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H](N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CC[NH2+]1 ZINC001246825529 1037658436 /nfs/dbraw/zinc/65/84/36/1037658436.db2.gz VPGYUTKSBXUOGV-GRSYGWAWSA-N 2 1 379.523 3.886 20 0 GHADMP C[NH2+]CC[C@@H](C)N1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001246837551 1037665371 /nfs/dbraw/zinc/66/53/71/1037665371.db2.gz ONJWTUSLVRGZCN-JOCHJYFZSA-N 2 1 395.591 3.798 20 0 GHADMP c1ccc(CN2CC[C@@H]([N@@H+](Cc3ccccc3)[C@@H]3CCC4(C[NH2+]C4)C3)C2)cc1 ZINC001246840679 1037668712 /nfs/dbraw/zinc/66/87/12/1037668712.db2.gz PQSVTLZVCGFTTE-DNQXCXABSA-N 2 1 375.560 3.905 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871160 1037686079 /nfs/dbraw/zinc/68/60/79/1037686079.db2.gz CLVHLEKQMLVGHP-DSITVLBTSA-N 3 1 375.560 3.514 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871160 1037686096 /nfs/dbraw/zinc/68/60/96/1037686096.db2.gz CLVHLEKQMLVGHP-DSITVLBTSA-N 3 1 375.560 3.514 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871160 1037686111 /nfs/dbraw/zinc/68/61/11/1037686111.db2.gz CLVHLEKQMLVGHP-DSITVLBTSA-N 3 1 375.560 3.514 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871160 1037686119 /nfs/dbraw/zinc/68/61/19/1037686119.db2.gz CLVHLEKQMLVGHP-DSITVLBTSA-N 2 1 375.560 3.514 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](N3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871160 1037686129 /nfs/dbraw/zinc/68/61/29/1037686129.db2.gz CLVHLEKQMLVGHP-DSITVLBTSA-N 2 1 375.560 3.514 20 0 GHADMP C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001246879238 1037693567 /nfs/dbraw/zinc/69/35/67/1037693567.db2.gz NILZYCWEPNIGIS-BSIFCXSSSA-N 2 1 390.449 3.989 20 0 GHADMP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC001246888832 1037703308 /nfs/dbraw/zinc/70/33/08/1037703308.db2.gz PNIMQWILWFVDOX-UHFFFAOYSA-N 2 1 389.971 3.800 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904235 1037716081 /nfs/dbraw/zinc/71/60/81/1037716081.db2.gz UQPRVJJDAWIMGX-KPFFTGBYSA-N 2 1 376.516 3.981 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC001246904235 1037716096 /nfs/dbraw/zinc/71/60/96/1037716096.db2.gz UQPRVJJDAWIMGX-KPFFTGBYSA-N 2 1 376.516 3.981 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)CC1 ZINC001246936000 1037740209 /nfs/dbraw/zinc/74/02/09/1037740209.db2.gz VLHNHYNNOXXFQH-UHFFFAOYSA-N 2 1 376.516 3.892 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)CC1 ZINC001246940364 1037744469 /nfs/dbraw/zinc/74/44/69/1037744469.db2.gz WMTCCUNAJIKLKU-OFNKIYASSA-N 2 1 383.580 3.926 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([N@@H+](Cc1ccccn1)C1CC[NH2+]CC1)CC2 ZINC001246952283 1037755172 /nfs/dbraw/zinc/75/51/72/1037755172.db2.gz KKTRAZXZGFCSGI-SFHVURJKSA-N 2 1 385.939 3.855 20 0 GHADMP C[C@@H]1C[C@@H](N(Cc2ccccn2)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC001246952464 1037756312 /nfs/dbraw/zinc/75/63/12/1037756312.db2.gz STYFSJYQSOEHFW-QDSKXPNFSA-N 2 1 378.564 3.689 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246954575 1037762618 /nfs/dbraw/zinc/76/26/18/1037762618.db2.gz IGGSJABCCUMYDQ-SJORKVTESA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001246953668 1037763189 /nfs/dbraw/zinc/76/31/89/1037763189.db2.gz CHMJMFAOOIHESB-MJGOQNOKSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)C1CCC([N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001246962793 1037784463 /nfs/dbraw/zinc/78/44/63/1037784463.db2.gz FABSTONTGRPRQQ-ZHRYYDEUSA-N 2 1 388.552 3.889 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001246977909 1037802379 /nfs/dbraw/zinc/80/23/79/1037802379.db2.gz GGPKHNGAYCHNJY-FUHWJXTLSA-N 2 1 385.474 3.874 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246984581 1037807832 /nfs/dbraw/zinc/80/78/32/1037807832.db2.gz MHWIQZXXBUXKGR-OVSMBABESA-N 2 1 377.576 3.945 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)CC[NH2+]1 ZINC001246986407 1037812189 /nfs/dbraw/zinc/81/21/89/1037812189.db2.gz SCRAFKCGJCKUFO-QFIPXVFZSA-N 2 1 379.548 3.918 20 0 GHADMP CC(=O)Nc1snc([C@@H]2CC[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C2)c1-c1ccccc1 ZINC001246992271 1037814960 /nfs/dbraw/zinc/81/49/60/1037814960.db2.gz VJQHVORSHNGQBC-QGTPRVQTSA-N 2 1 384.549 3.698 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001247006834 1037831636 /nfs/dbraw/zinc/83/16/36/1037831636.db2.gz VXEHKSQDPGDZNW-IBGZPJMESA-N 2 1 392.543 3.931 20 0 GHADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC001247009726 1037833106 /nfs/dbraw/zinc/83/31/06/1037833106.db2.gz LKRLFFLBYMEQQQ-XCLNPWKQSA-N 2 1 392.385 3.801 20 0 GHADMP C[NH+]1CCN(c2cc(-c3nc4ccccc4n3C3CC[NH2+]CC3)ccc2F)CC1 ZINC001247022361 1037844533 /nfs/dbraw/zinc/84/45/33/1037844533.db2.gz RAQANTGHXQWYTJ-UHFFFAOYSA-N 2 1 393.510 3.519 20 0 GHADMP CCc1csc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001232470109 1038255737 /nfs/dbraw/zinc/25/57/37/1038255737.db2.gz RPIABHGSLIQDQF-HXUWFJFHSA-N 2 1 385.577 3.961 20 0 GHADMP CCc1csc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001232470109 1038255747 /nfs/dbraw/zinc/25/57/47/1038255747.db2.gz RPIABHGSLIQDQF-HXUWFJFHSA-N 2 1 385.577 3.961 20 0 GHADMP [NH3+]CCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)CO[C@H]3c2ccc(F)cc2)no1 ZINC001247692797 1038331467 /nfs/dbraw/zinc/33/14/67/1038331467.db2.gz GVAUOGKQYFLRDA-OALUTQOASA-N 2 1 382.439 3.624 20 0 GHADMP Fc1cc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc(F)c1Cl ZINC001247907562 1038480822 /nfs/dbraw/zinc/48/08/22/1038480822.db2.gz URWLDULJYQKDGB-LLVKDONJSA-N 2 1 382.842 3.600 20 0 GHADMP Fc1cc(-c2noc([C@H]3C[C@@]34CCC[NH2+]CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247924535 1038500712 /nfs/dbraw/zinc/50/07/12/1038500712.db2.gz INRZBAGSSBAIKO-JUXOCIIHSA-N 2 1 393.466 3.855 20 0 GHADMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@H]3C2)cn1 ZINC001232728121 1038520815 /nfs/dbraw/zinc/52/08/15/1038520815.db2.gz AQMUDPGFXQHLHS-QZTJIDSGSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@H]3C2)cn1 ZINC001232728121 1038520819 /nfs/dbraw/zinc/52/08/19/1038520819.db2.gz AQMUDPGFXQHLHS-QZTJIDSGSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@H]3C2)cn1 ZINC001232728121 1038520823 /nfs/dbraw/zinc/52/08/23/1038520823.db2.gz AQMUDPGFXQHLHS-QZTJIDSGSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@H]3C2)cn1 ZINC001232728121 1038520826 /nfs/dbraw/zinc/52/08/26/1038520826.db2.gz AQMUDPGFXQHLHS-QZTJIDSGSA-N 2 1 383.927 3.509 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc5ccc(Cl)cc5[nH]4)C[C@H]3C2)cn1 ZINC001232728121 1038520829 /nfs/dbraw/zinc/52/08/29/1038520829.db2.gz AQMUDPGFXQHLHS-QZTJIDSGSA-N 2 1 383.927 3.509 20 0 GHADMP Cc1ncc(F)cc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001232988502 1038751968 /nfs/dbraw/zinc/75/19/68/1038751968.db2.gz PAQHYQSKELZXAI-IBGZPJMESA-N 2 1 389.540 3.846 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC001252409805 1038987895 /nfs/dbraw/zinc/98/78/95/1038987895.db2.gz NUYKQFHALAMTQG-OALUTQOASA-N 2 1 378.605 3.545 20 0 GHADMP COCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281194 1039054388 /nfs/dbraw/zinc/05/43/88/1039054388.db2.gz RAYFBRCTXRTMOD-OYDLWJJNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281194 1039054405 /nfs/dbraw/zinc/05/44/05/1039054405.db2.gz RAYFBRCTXRTMOD-OYDLWJJNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281194 1039054427 /nfs/dbraw/zinc/05/44/27/1039054427.db2.gz RAYFBRCTXRTMOD-OYDLWJJNSA-N 2 1 395.547 3.797 20 0 GHADMP COCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001233281194 1039054444 /nfs/dbraw/zinc/05/44/44/1039054444.db2.gz RAYFBRCTXRTMOD-OYDLWJJNSA-N 2 1 395.547 3.797 20 0 GHADMP O=c1ccc2c(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294315 1039080166 /nfs/dbraw/zinc/08/01/66/1039080166.db2.gz FUGANYXKYKUOAU-XMMPIXPASA-N 2 1 389.499 3.744 20 0 GHADMP O=c1ccc2c(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294315 1039080183 /nfs/dbraw/zinc/08/01/83/1039080183.db2.gz FUGANYXKYKUOAU-XMMPIXPASA-N 2 1 389.499 3.744 20 0 GHADMP O=c1ccc2c(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc(O)c2[nH]1 ZINC001233294315 1039080240 /nfs/dbraw/zinc/08/02/40/1039080240.db2.gz FUGANYXKYKUOAU-XMMPIXPASA-N 2 1 389.499 3.744 20 0 GHADMP Clc1ncnc(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001233408788 1039257126 /nfs/dbraw/zinc/25/71/26/1039257126.db2.gz BAGMHDWNRNIMPI-UHFFFAOYSA-N 2 1 392.334 3.667 20 0 GHADMP O[C@@]1(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC[N@H+](Cc2ccccc2)C1 ZINC001252943748 1039287371 /nfs/dbraw/zinc/28/73/71/1039287371.db2.gz PDZNWJRLJLZMQY-JOCHJYFZSA-N 2 1 383.923 3.590 20 0 GHADMP O[C@@]1(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943748 1039287382 /nfs/dbraw/zinc/28/73/82/1039287382.db2.gz PDZNWJRLJLZMQY-JOCHJYFZSA-N 2 1 383.923 3.590 20 0 GHADMP O[C@]1(C[NH2+]CCc2c[nH]c3cccc(Cl)c23)CC[N@H+](Cc2ccccc2)C1 ZINC001252951297 1039295777 /nfs/dbraw/zinc/29/57/77/1039295777.db2.gz QXWSMZVDWVQPHK-QFIPXVFZSA-N 2 1 383.923 3.590 20 0 GHADMP O[C@]1(C[NH2+]CCc2c[nH]c3cccc(Cl)c23)CC[N@@H+](Cc2ccccc2)C1 ZINC001252951297 1039295783 /nfs/dbraw/zinc/29/57/83/1039295783.db2.gz QXWSMZVDWVQPHK-QFIPXVFZSA-N 2 1 383.923 3.590 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)CNc1cccc2c1[C@H]1Cc3ccccc3C[N@@H+]1CC2 ZINC001253399924 1039602204 /nfs/dbraw/zinc/60/22/04/1039602204.db2.gz URJIRKAIMJJEMT-RBBKRZOGSA-N 2 1 379.548 3.503 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)CNc1cccc2c1[C@H]1Cc3ccccc3C[N@H+]1CC2 ZINC001253399924 1039602210 /nfs/dbraw/zinc/60/22/10/1039602210.db2.gz URJIRKAIMJJEMT-RBBKRZOGSA-N 2 1 379.548 3.503 20 0 GHADMP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001253408250 1039605509 /nfs/dbraw/zinc/60/55/09/1039605509.db2.gz AFBIONFFZVRVPB-FUHWJXTLSA-N 2 1 391.556 3.602 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001253830820 1039837100 /nfs/dbraw/zinc/83/71/00/1039837100.db2.gz RGAKBWKMWWCZES-NOZRDPDXSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001253830820 1039837123 /nfs/dbraw/zinc/83/71/23/1039837123.db2.gz RGAKBWKMWWCZES-NOZRDPDXSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001253830820 1039837147 /nfs/dbraw/zinc/83/71/47/1039837147.db2.gz RGAKBWKMWWCZES-NOZRDPDXSA-N 2 1 394.559 3.723 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001253830820 1039837171 /nfs/dbraw/zinc/83/71/71/1039837171.db2.gz RGAKBWKMWWCZES-NOZRDPDXSA-N 2 1 394.559 3.723 20 0 GHADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001234240319 1039935504 /nfs/dbraw/zinc/93/55/04/1039935504.db2.gz GGSSCQJMTDOOPT-WMZOPIPTSA-N 2 1 387.499 3.895 20 0 GHADMP COc1cc(C[NH+](C)C)cc(F)c1O[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001234240319 1039935507 /nfs/dbraw/zinc/93/55/07/1039935507.db2.gz GGSSCQJMTDOOPT-WMZOPIPTSA-N 2 1 387.499 3.895 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC001254033818 1039966359 /nfs/dbraw/zinc/96/63/59/1039966359.db2.gz AAYFCNQTGSVQCI-FCHUYYIVSA-N 2 1 388.600 3.750 20 0 GHADMP COc1ccccc1Sc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001234341100 1039976470 /nfs/dbraw/zinc/97/64/70/1039976470.db2.gz DRMDOYDZCMFKFU-UHFFFAOYSA-N 2 1 385.577 3.526 20 0 GHADMP Cc1cccc(N([C@@H]2Cc3ccc(Br)cc3C2)C2CC[NH2+]CC2)[nH+]1 ZINC001254286484 1040135174 /nfs/dbraw/zinc/13/51/74/1040135174.db2.gz NLDJAYPNWVSFTA-LJQANCHMSA-N 2 1 386.337 3.878 20 0 GHADMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254296341 1040146628 /nfs/dbraw/zinc/14/66/28/1040146628.db2.gz QIXXMSJBKUCDDT-ICSRJNTNSA-N 2 1 375.557 3.873 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC[NH+]3C3CCCCCC3)C2)cc1 ZINC001254392680 1040207493 /nfs/dbraw/zinc/20/74/93/1040207493.db2.gz VHXYKOUIKHUSIB-GGAORHGYSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@@H]3CC[N@@H+]3C3CCCCCC3)C2)cc1 ZINC001254392680 1040207503 /nfs/dbraw/zinc/20/75/03/1040207503.db2.gz VHXYKOUIKHUSIB-GGAORHGYSA-N 2 1 398.595 3.666 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)C2)cc1 ZINC001254392680 1040207516 /nfs/dbraw/zinc/20/75/16/1040207516.db2.gz VHXYKOUIKHUSIB-GGAORHGYSA-N 2 1 398.595 3.666 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001254511697 1040289765 /nfs/dbraw/zinc/28/97/65/1040289765.db2.gz CUQMPSCNYZBIQM-SFHVURJKSA-N 2 1 381.358 3.571 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254531422 1040301970 /nfs/dbraw/zinc/30/19/70/1040301970.db2.gz FVGWHBKYHSALGQ-QFBILLFUSA-N 2 1 380.374 3.612 20 0 GHADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254531422 1040301987 /nfs/dbraw/zinc/30/19/87/1040301987.db2.gz FVGWHBKYHSALGQ-QFBILLFUSA-N 2 1 380.374 3.612 20 0 GHADMP COc1ccccc1C1([NH3+])CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254621442 1040393019 /nfs/dbraw/zinc/39/30/19/1040393019.db2.gz YCQRHJQPBSERBH-UHFFFAOYSA-N 2 1 383.511 3.753 20 0 GHADMP Fc1ccc(N2CCC([NH+]3C[C@@H]4C[NH+](Cc5cccs5)C[C@H]4C3)CC2)cc1 ZINC001254624790 1040398354 /nfs/dbraw/zinc/39/83/54/1040398354.db2.gz BVYZNPGHFQXHEP-ROUUACIJSA-N 2 1 385.552 3.920 20 0 GHADMP CCOC(=O)c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c[nH]1 ZINC001234949747 1040452910 /nfs/dbraw/zinc/45/29/10/1040452910.db2.gz DJBFEQCGDWTWIG-RTWAWAEBSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235093868 1040582957 /nfs/dbraw/zinc/58/29/57/1040582957.db2.gz UJROAHQTCPMLHC-UHFFFAOYSA-N 2 1 396.318 3.837 20 0 GHADMP CSc1ncc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001235152116 1040642601 /nfs/dbraw/zinc/64/26/01/1040642601.db2.gz CCTVZCJRJYOAKC-IBGZPJMESA-N 2 1 389.613 3.907 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([N@@H+](CC3CC3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]2C1 ZINC001254897650 1040651600 /nfs/dbraw/zinc/65/16/00/1040651600.db2.gz IMRBTQCZUVFCKV-JSYLVRCQSA-N 2 1 377.573 3.614 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248146 1040730263 /nfs/dbraw/zinc/73/02/63/1040730263.db2.gz OMMZCDDIFLEGGS-SNYIIPAISA-N 2 1 378.516 3.816 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCC[C@]12C[NH2+]C[C@@H]2c1ccccc1 ZINC001235248146 1040730283 /nfs/dbraw/zinc/73/02/83/1040730283.db2.gz OMMZCDDIFLEGGS-SNYIIPAISA-N 2 1 378.516 3.816 20 0 GHADMP C[C@H](CO)C[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069309 1040762898 /nfs/dbraw/zinc/76/28/98/1040762898.db2.gz JMPCYTHWYDIDKI-BPUWIUIQSA-N 2 1 378.560 3.969 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1cc3ccccc3o1)C2 ZINC001235321654 1040792946 /nfs/dbraw/zinc/79/29/46/1040792946.db2.gz QKCWENOJYASDMP-NZQKXSOJSA-N 2 1 382.504 3.578 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(C3CC3)cc1)C2 ZINC001235324732 1040794761 /nfs/dbraw/zinc/79/47/61/1040794761.db2.gz GMNIWKILUZWJEG-XUZZJYLKSA-N 2 1 382.548 3.709 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccc(F)c(Cl)c1)C2 ZINC001235323981 1040794889 /nfs/dbraw/zinc/79/48/89/1040794889.db2.gz GQRUVKXDGCJPGB-GHTZIAJQSA-N 2 1 394.918 3.624 20 0 GHADMP Cc1cccc(N([C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001255112560 1040797029 /nfs/dbraw/zinc/79/70/29/1040797029.db2.gz APBJVQBEGHIIJP-SDHSZQHLSA-N 2 1 391.559 3.597 20 0 GHADMP Fc1ccc(-c2nn([C@@H]3CC[N@@H+](Cc4ccccc4)C3)c3c2CC[NH2+]CC3)cc1 ZINC001255115093 1040799937 /nfs/dbraw/zinc/79/99/37/1040799937.db2.gz TWIRXFOCACMFTN-OAQYLSRUSA-N 2 1 390.506 3.824 20 0 GHADMP CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255122624 1040813280 /nfs/dbraw/zinc/81/32/80/1040813280.db2.gz SUYVEWMFSWVJAC-BXXSPATCSA-N 2 1 391.559 3.511 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](C[C@@H](C)c3cccc4ccccc43)C[C@@H]1CC[NH2+]CC2 ZINC001235347874 1040819183 /nfs/dbraw/zinc/81/91/83/1040819183.db2.gz AABLHOXQNOKXNI-WWEVIYMKSA-N 2 1 380.532 3.808 20 0 GHADMP Cn1cc(-c2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)ccn2)cn1 ZINC001255128023 1040820715 /nfs/dbraw/zinc/82/07/15/1040820715.db2.gz ITGJOGZBLMWDDK-NUNAXRQHSA-N 2 1 387.531 3.767 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccccc3-c3cccs3)C[C@@H]1CC[NH2+]CC2 ZINC001235348259 1040823217 /nfs/dbraw/zinc/82/32/17/1040823217.db2.gz ALPVVXSCQBLRGZ-AVRDEDQJSA-N 2 1 384.545 3.780 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001235351081 1040825836 /nfs/dbraw/zinc/82/58/36/1040825836.db2.gz XAGMKZHNISDLJM-RDPSFJRHSA-N 2 1 394.515 3.844 20 0 GHADMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc(C)c(OCCO)c(C)c4)C[C@@H]3C2)cc1 ZINC001235353497 1040830952 /nfs/dbraw/zinc/83/09/52/1040830952.db2.gz CXZXDANPGWVXOL-ZEQRLZLVSA-N 2 1 394.559 3.547 20 0 GHADMP COCc1cccc([C@@H](CO)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255134345 1040833539 /nfs/dbraw/zinc/83/35/39/1040833539.db2.gz BBHWIGHLYSGJCK-UEQSERJNSA-N 2 1 380.532 3.652 20 0 GHADMP COCc1cccc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255134345 1040833564 /nfs/dbraw/zinc/83/35/64/1040833564.db2.gz BBHWIGHLYSGJCK-UEQSERJNSA-N 2 1 380.532 3.652 20 0 GHADMP FC(F)(F)c1ncncc1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255134362 1040834457 /nfs/dbraw/zinc/83/44/57/1040834457.db2.gz BLOWALPOFHNMQA-BCDXTJNWSA-N 2 1 376.426 3.781 20 0 GHADMP COC(=O)Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255135266 1040835540 /nfs/dbraw/zinc/83/55/40/1040835540.db2.gz ICVRSQVLYNMFDT-WBDAEOGXSA-N 2 1 378.516 3.687 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255142079 1040850681 /nfs/dbraw/zinc/85/06/81/1040850681.db2.gz YNYPXPNBRVXSJX-KEJFTWOCSA-N 2 1 384.564 3.700 20 0 GHADMP COC[C@]12CCCO[C@@H]1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255142079 1040850694 /nfs/dbraw/zinc/85/06/94/1040850694.db2.gz YNYPXPNBRVXSJX-KEJFTWOCSA-N 2 1 384.564 3.700 20 0 GHADMP CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255142861 1040853627 /nfs/dbraw/zinc/85/36/27/1040853627.db2.gz KDLRHGDQFNXKBO-JTOYRKQZSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@@]2(CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255142861 1040853641 /nfs/dbraw/zinc/85/36/41/1040853641.db2.gz KDLRHGDQFNXKBO-JTOYRKQZSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255142861 1040853656 /nfs/dbraw/zinc/85/36/56/1040853656.db2.gz KDLRHGDQFNXKBO-JTOYRKQZSA-N 2 1 381.564 3.516 20 0 GHADMP CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255142861 1040853675 /nfs/dbraw/zinc/85/36/75/1040853675.db2.gz KDLRHGDQFNXKBO-JTOYRKQZSA-N 2 1 381.564 3.516 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255144187 1040855314 /nfs/dbraw/zinc/85/53/14/1040855314.db2.gz MUKJSKFJSOSSSN-ZFFYZDHPSA-N 2 1 397.607 3.757 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255144187 1040855323 /nfs/dbraw/zinc/85/53/23/1040855323.db2.gz MUKJSKFJSOSSSN-ZFFYZDHPSA-N 2 1 397.607 3.757 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255144187 1040855330 /nfs/dbraw/zinc/85/53/30/1040855330.db2.gz MUKJSKFJSOSSSN-ZFFYZDHPSA-N 2 1 397.607 3.757 20 0 GHADMP c1ccc(C[NH+]2CC3(CN([C@@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5Cc4ccccc4)C3)C2)cc1 ZINC001255145896 1040857784 /nfs/dbraw/zinc/85/77/84/1040857784.db2.gz XANYQTGWVGNEDQ-QEIWAGNOSA-N 2 1 387.571 4.000 20 0 GHADMP Oc1cc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC001235368243 1040864948 /nfs/dbraw/zinc/86/49/48/1040864948.db2.gz JFDFTGMNFUNUNW-PGRDOPGGSA-N 2 1 388.458 3.747 20 0 GHADMP Oc1cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)ccc1OC(F)F ZINC001235368243 1040864960 /nfs/dbraw/zinc/86/49/60/1040864960.db2.gz JFDFTGMNFUNUNW-PGRDOPGGSA-N 2 1 388.458 3.747 20 0 GHADMP Fc1cccnc1N(C1CC[NH2+]CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255149250 1040868026 /nfs/dbraw/zinc/86/80/26/1040868026.db2.gz GGHALGGWNQBWAZ-ZBYYUNFXSA-N 2 1 394.538 3.975 20 0 GHADMP Cc1ccnc(N(C2CC[NH2+]CC2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001255151128 1040869896 /nfs/dbraw/zinc/86/98/96/1040869896.db2.gz STMNJXMALUKEHY-JKHIJQBDSA-N 2 1 391.563 3.539 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235372802 1040879474 /nfs/dbraw/zinc/87/94/74/1040879474.db2.gz VDWHDJGIZWESQI-UPVQGACJSA-N 3 1 381.539 3.641 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235372802 1040879498 /nfs/dbraw/zinc/87/94/98/1040879498.db2.gz VDWHDJGIZWESQI-UPVQGACJSA-N 3 1 381.539 3.641 20 0 GHADMP Oc1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OCC1CC1 ZINC001235383447 1040902688 /nfs/dbraw/zinc/90/26/88/1040902688.db2.gz PJWYTBZTORBQFX-RDGATRHJSA-N 2 1 392.543 3.934 20 0 GHADMP Oc1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1OCC1CC1 ZINC001235383447 1040902698 /nfs/dbraw/zinc/90/26/98/1040902698.db2.gz PJWYTBZTORBQFX-RDGATRHJSA-N 2 1 392.543 3.934 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@H+](Cc2cccc(N4CCCCC4)n2)CC3)cc1 ZINC001235383465 1040902993 /nfs/dbraw/zinc/90/29/93/1040902993.db2.gz PQHOTKLTOXOJLT-DHLKQENFSA-N 2 1 390.575 3.825 20 0 GHADMP c1ccc([C@@]23CC[NH2+]C[C@H]2C[N@@H+](Cc2cccc(N4CCCCC4)n2)CC3)cc1 ZINC001235383465 1040903000 /nfs/dbraw/zinc/90/30/00/1040903000.db2.gz PQHOTKLTOXOJLT-DHLKQENFSA-N 2 1 390.575 3.825 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)o2)cc1 ZINC001235401139 1040914652 /nfs/dbraw/zinc/91/46/52/1040914652.db2.gz FYVAODVBWQWJAD-UNMCSNQZSA-N 2 1 386.467 3.647 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)C[NH2+]CC[C@@H]4F)o2)cc1 ZINC001235401139 1040914654 /nfs/dbraw/zinc/91/46/54/1040914654.db2.gz FYVAODVBWQWJAD-UNMCSNQZSA-N 2 1 386.467 3.647 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001235407432 1040919020 /nfs/dbraw/zinc/91/90/20/1040919020.db2.gz SEDDVKPDJXAPKP-PKOBYXMFSA-N 2 1 395.931 3.899 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccc(OCc3cnc(Cl)s3)cc1)C2 ZINC001235407432 1040919022 /nfs/dbraw/zinc/91/90/22/1040919022.db2.gz SEDDVKPDJXAPKP-PKOBYXMFSA-N 2 1 395.931 3.899 20 0 GHADMP Brc1ccc2n[nH]c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423750 1040925202 /nfs/dbraw/zinc/92/52/02/1040925202.db2.gz GVLRSUWXRRMUTN-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423750 1040925205 /nfs/dbraw/zinc/92/52/05/1040925205.db2.gz GVLRSUWXRRMUTN-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP Brc1ccc2[nH]nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1 ZINC001235423750 1040925206 /nfs/dbraw/zinc/92/52/06/1040925206.db2.gz GVLRSUWXRRMUTN-ZIAGYGMSSA-N 2 1 377.330 3.537 20 0 GHADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(Br)c1OC ZINC001235425604 1040926671 /nfs/dbraw/zinc/92/66/71/1040926671.db2.gz MCGNUEBODZAVPX-HZPDHXFCSA-N 2 1 397.357 3.678 20 0 GHADMP CC(C)Oc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Br)cn1 ZINC001235430573 1040930721 /nfs/dbraw/zinc/93/07/21/1040930721.db2.gz IQGDXUDBQMJEQR-HOTGVXAUSA-N 2 1 396.373 3.843 20 0 GHADMP C[N@H+](Cc1cc(Br)ccc1Br)CC1CC[NH2+]CC1 ZINC001235433082 1040934671 /nfs/dbraw/zinc/93/46/71/1040934671.db2.gz GCXSOESHRWMHHO-UHFFFAOYSA-N 2 1 376.136 3.643 20 0 GHADMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348545 1040955129 /nfs/dbraw/zinc/95/51/29/1040955129.db2.gz COTIUJLOSSFSIC-XRXFAXGQSA-N 2 1 388.552 3.889 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255390764 1040979657 /nfs/dbraw/zinc/97/96/57/1040979657.db2.gz KQVDPVSPCYAXNK-PKTZIBPZSA-N 2 1 383.580 3.812 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[N@H+]2[C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255400785 1040987556 /nfs/dbraw/zinc/98/75/56/1040987556.db2.gz NUVRHSNFMCSNIB-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[NH+]2[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255400785 1040987557 /nfs/dbraw/zinc/98/75/57/1040987557.db2.gz NUVRHSNFMCSNIB-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](C[NH+]2[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255400785 1040987561 /nfs/dbraw/zinc/98/75/61/1040987561.db2.gz NUVRHSNFMCSNIB-BHIFYINESA-N 2 1 399.579 3.982 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[N@H+]2[C@@H]2CCC[NH+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001255400797 1040988030 /nfs/dbraw/zinc/98/80/30/1040988030.db2.gz CMMNEGNGQFHPGH-BAGYTPMASA-N 2 1 395.572 3.982 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[NH+]2[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001255400797 1040988032 /nfs/dbraw/zinc/98/80/32/1040988032.db2.gz CMMNEGNGQFHPGH-BAGYTPMASA-N 2 1 395.572 3.982 20 0 GHADMP O=C1C[C@@H]2[C@H](CC[NH+]2[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)N1c1ccsc1 ZINC001255400797 1040988033 /nfs/dbraw/zinc/98/80/33/1040988033.db2.gz CMMNEGNGQFHPGH-BAGYTPMASA-N 2 1 395.572 3.982 20 0 GHADMP c1csc(CN2C[C@H]3C[NH+]([C@H]4CCC[N@@H+](Cc5ccccc5)CC4)C[C@@H]3C2)n1 ZINC001255402946 1040989934 /nfs/dbraw/zinc/98/99/34/1040989934.db2.gz PXODZZNYPVDJCY-FKBYEOEOSA-N 2 1 396.604 3.561 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255408893 1040996227 /nfs/dbraw/zinc/99/62/27/1040996227.db2.gz DTNMMDWVYCKYLB-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255408893 1040996231 /nfs/dbraw/zinc/99/62/31/1040996231.db2.gz DTNMMDWVYCKYLB-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1O[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255408893 1040996236 /nfs/dbraw/zinc/99/62/36/1040996236.db2.gz DTNMMDWVYCKYLB-YADHBBJMSA-N 2 1 380.536 3.683 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409643 1040997532 /nfs/dbraw/zinc/99/75/32/1040997532.db2.gz JUNZGDUESWCECR-GGAORHGYSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409643 1040997533 /nfs/dbraw/zinc/99/75/33/1040997533.db2.gz JUNZGDUESWCECR-GGAORHGYSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc(O[C@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409643 1040997537 /nfs/dbraw/zinc/99/75/37/1040997537.db2.gz JUNZGDUESWCECR-GGAORHGYSA-N 2 1 395.547 3.988 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409657 1040997632 /nfs/dbraw/zinc/99/76/32/1040997632.db2.gz KERIKFJWKOAZIE-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409657 1040997644 /nfs/dbraw/zinc/99/76/44/1040997644.db2.gz KERIKFJWKOAZIE-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cnc(O[C@@H]2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409657 1040997652 /nfs/dbraw/zinc/99/76/52/1040997652.db2.gz KERIKFJWKOAZIE-FGZHOGPDSA-N 2 1 380.536 3.683 20 0 GHADMP O=C1CC2(CN1CC1CC1)CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255409732 1040998612 /nfs/dbraw/zinc/99/86/12/1040998612.db2.gz LNURQPMLYSOGFJ-HSZRJFAPSA-N 2 1 395.591 3.766 20 0 GHADMP COc1cc(O[C@H]2CC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409881 1041001381 /nfs/dbraw/zinc/00/13/81/1041001381.db2.gz MLCAEJCPHLEAFA-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409881 1041001419 /nfs/dbraw/zinc/00/14/19/1041001419.db2.gz MLCAEJCPHLEAFA-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP COc1cc(O[C@H]2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)ccn1 ZINC001255409881 1041001458 /nfs/dbraw/zinc/00/14/58/1041001458.db2.gz MLCAEJCPHLEAFA-UNMCSNQZSA-N 2 1 381.520 3.598 20 0 GHADMP CC(C)(C)OC(=O)n1cccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001235622534 1041046255 /nfs/dbraw/zinc/04/62/55/1041046255.db2.gz BKSYMKAYNAKCGR-UHFFFAOYSA-N 2 1 391.556 3.596 20 0 GHADMP Cn1ccc2c1cccc2C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235646879 1041086249 /nfs/dbraw/zinc/08/62/49/1041086249.db2.gz PGSPBFHJGMZCRM-UHFFFAOYSA-N 2 1 377.536 3.813 20 0 GHADMP FC(F)(F)C1CCC([N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)CC1 ZINC001255519113 1041109177 /nfs/dbraw/zinc/10/91/77/1041109177.db2.gz QVMOBPCOKWVXRX-UHFFFAOYSA-N 2 1 384.490 3.848 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)C1 ZINC001255605383 1041161652 /nfs/dbraw/zinc/16/16/52/1041161652.db2.gz OPDAPVZKEQFWBZ-LJQANCHMSA-N 2 1 389.540 3.577 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC001255604681 1041162013 /nfs/dbraw/zinc/16/20/13/1041162013.db2.gz UJJHHUXGYYCDDY-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)CC2)cc1 ZINC001235694097 1041169836 /nfs/dbraw/zinc/16/98/36/1041169836.db2.gz LRMVGULEFWEQEO-UHFFFAOYSA-N 3 1 375.560 3.820 20 0 GHADMP Nc1cc(Cl)c(Br)cc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235705365 1041184474 /nfs/dbraw/zinc/18/44/74/1041184474.db2.gz GIVUYYVDRPIFAQ-UHFFFAOYSA-N 2 1 386.765 3.896 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+]([C@@H](C)CC(F)(F)F)CC2 ZINC001255650885 1041190976 /nfs/dbraw/zinc/19/09/76/1041190976.db2.gz JLLNEWWKZOCYFN-FUHWJXTLSA-N 2 1 385.474 3.725 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CC(F)(F)F)CC2 ZINC001255654252 1041194531 /nfs/dbraw/zinc/19/45/31/1041194531.db2.gz ZVSAUMWCUWAHDL-LSDHHAIUSA-N 2 1 391.503 3.787 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CC(F)(F)F)CC2 ZINC001255654249 1041194885 /nfs/dbraw/zinc/19/48/85/1041194885.db2.gz ZVSAUMWCUWAHDL-GJZGRUSLSA-N 2 1 391.503 3.787 20 0 GHADMP C[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680376 1041212610 /nfs/dbraw/zinc/21/26/10/1041212610.db2.gz QOZKRWXIQYJANL-YOFSQIOKSA-N 2 1 379.589 3.971 20 0 GHADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680376 1041212626 /nfs/dbraw/zinc/21/26/26/1041212626.db2.gz QOZKRWXIQYJANL-YOFSQIOKSA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680376 1041212644 /nfs/dbraw/zinc/21/26/44/1041212644.db2.gz QOZKRWXIQYJANL-YOFSQIOKSA-N 2 1 379.589 3.971 20 0 GHADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680376 1041212662 /nfs/dbraw/zinc/21/26/62/1041212662.db2.gz QOZKRWXIQYJANL-YOFSQIOKSA-N 2 1 379.589 3.971 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680556 1041212944 /nfs/dbraw/zinc/21/29/44/1041212944.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]21 ZINC001255680556 1041212958 /nfs/dbraw/zinc/21/29/58/1041212958.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 2 1 382.596 3.629 20 0 GHADMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]21 ZINC001255680556 1041212977 /nfs/dbraw/zinc/21/29/77/1041212977.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 2 1 382.596 3.629 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680556 1041212989 /nfs/dbraw/zinc/21/29/89/1041212989.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 3 1 382.596 3.629 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680556 1041213003 /nfs/dbraw/zinc/21/30/03/1041213003.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680556 1041213018 /nfs/dbraw/zinc/21/30/18/1041213018.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 3 1 382.596 3.629 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]21 ZINC001255680556 1041213032 /nfs/dbraw/zinc/21/30/32/1041213032.db2.gz ZNDUINNQBYODKM-JEMGJVJQSA-N 3 1 382.596 3.629 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713281 1041238604 /nfs/dbraw/zinc/23/86/04/1041238604.db2.gz DDSXFNOBWHWSHQ-UAFMIMERSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713281 1041238623 /nfs/dbraw/zinc/23/86/23/1041238623.db2.gz DDSXFNOBWHWSHQ-UAFMIMERSA-N 2 1 397.485 3.725 20 0 GHADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)C1 ZINC001255713281 1041238636 /nfs/dbraw/zinc/23/86/36/1041238636.db2.gz DDSXFNOBWHWSHQ-UAFMIMERSA-N 2 1 397.485 3.725 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235789699 1041282099 /nfs/dbraw/zinc/28/20/99/1041282099.db2.gz FFCBCUAARWQJCO-GOSISDBHSA-N 2 1 390.984 3.718 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235789699 1041282117 /nfs/dbraw/zinc/28/21/17/1041282117.db2.gz FFCBCUAARWQJCO-GOSISDBHSA-N 2 1 390.984 3.718 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235791670 1041285724 /nfs/dbraw/zinc/28/57/24/1041285724.db2.gz SGAHBYYQVFCETA-QFIPXVFZSA-N 2 1 387.955 3.817 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCN[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001235791670 1041285730 /nfs/dbraw/zinc/28/57/30/1041285730.db2.gz SGAHBYYQVFCETA-QFIPXVFZSA-N 2 1 387.955 3.817 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(F)nc4C)CC3)C2)cc1 ZINC001235811689 1041322912 /nfs/dbraw/zinc/32/29/12/1041322912.db2.gz PYZUFHQELDRWCO-UHFFFAOYSA-N 2 1 383.511 3.705 20 0 GHADMP Cc1cccc(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)c1OCc1ccccc1 ZINC001235821555 1041337991 /nfs/dbraw/zinc/33/79/91/1041337991.db2.gz JSFODZSCWKQCRI-UHFFFAOYSA-N 2 1 393.575 3.834 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cncn1Cc1ccc(Br)cc1 ZINC001255951115 1041432597 /nfs/dbraw/zinc/43/25/97/1041432597.db2.gz GBVZSXHIGMBZGF-MRXNPFEDSA-N 2 1 393.373 3.904 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC2(CCOC[C@H]2COc2cccnc2)CC1 ZINC001255962939 1041443881 /nfs/dbraw/zinc/44/38/81/1041443881.db2.gz LTHRUDZIBCUIPL-RTWAWAEBSA-N 2 1 389.584 3.700 20 0 GHADMP F[C@@H]1C[NH2+]CC[C@H]1N(Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235937436 1041444403 /nfs/dbraw/zinc/44/44/03/1041444403.db2.gz RQXVLMQHERKEHA-RBZQAINGSA-N 2 1 381.539 3.711 20 0 GHADMP CC[NH+](CC)CC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001255963994 1041445031 /nfs/dbraw/zinc/44/50/31/1041445031.db2.gz VHMPGAOUYVCFFA-TUACAJSNSA-N 2 1 391.644 3.567 20 0 GHADMP COCC[N@@H+](Cc1ccc(N(C)c2ccccc2OC)cc1)C1CC[NH2+]CC1 ZINC001235942421 1041447675 /nfs/dbraw/zinc/44/76/75/1041447675.db2.gz CYCWLLHKBBOVNZ-UHFFFAOYSA-N 2 1 383.536 3.664 20 0 GHADMP C[N@H+](Cc1sc2ccccc2c1Cl)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235947397 1041453080 /nfs/dbraw/zinc/45/30/80/1041453080.db2.gz ASBOAYQNFAFAPG-UHFFFAOYSA-N 2 1 386.952 3.991 20 0 GHADMP C[N@@H+](Cc1sc2ccccc2c1Cl)Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235947397 1041453101 /nfs/dbraw/zinc/45/31/01/1041453101.db2.gz ASBOAYQNFAFAPG-UHFFFAOYSA-N 2 1 386.952 3.991 20 0 GHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3OC(F)(F)F)nc1)C2 ZINC001235960176 1041467304 /nfs/dbraw/zinc/46/73/04/1041467304.db2.gz ROMIDDFDYLYMEH-CCWDJLKJSA-N 2 1 377.410 3.816 20 0 GHADMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3OC(F)(F)F)nc1)C2 ZINC001235960176 1041467309 /nfs/dbraw/zinc/46/73/09/1041467309.db2.gz ROMIDDFDYLYMEH-CCWDJLKJSA-N 2 1 377.410 3.816 20 0 GHADMP CC[N@@H+](Cc1cccc(Br)c1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235961359 1041469169 /nfs/dbraw/zinc/46/91/69/1041469169.db2.gz AMHPLPUYRRFGNZ-UHFFFAOYSA-N 2 1 388.353 3.881 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001235973840 1041480065 /nfs/dbraw/zinc/48/00/65/1041480065.db2.gz OXLHOPTYFYOMGG-BLLLJJGKSA-N 2 1 378.294 3.606 20 0 GHADMP Fc1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)s2)cc1 ZINC001236009787 1041501911 /nfs/dbraw/zinc/50/19/11/1041501911.db2.gz OIFJDZZGPFRDIV-GCJKJVERSA-N 2 1 379.504 3.922 20 0 GHADMP Fc1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)s2)cc1 ZINC001236009787 1041501914 /nfs/dbraw/zinc/50/19/14/1041501914.db2.gz OIFJDZZGPFRDIV-GCJKJVERSA-N 2 1 379.504 3.922 20 0 GHADMP CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001256070393 1041505807 /nfs/dbraw/zinc/50/58/07/1041505807.db2.gz YDPMMZVOALRMER-XERBYJISSA-N 2 1 398.595 3.699 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)cc2)cc1 ZINC001236078173 1041524382 /nfs/dbraw/zinc/52/43/82/1041524382.db2.gz GFMMNKJZQRLAFB-XMMPIXPASA-N 2 1 378.564 3.618 20 0 GHADMP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079379 1041524492 /nfs/dbraw/zinc/52/44/92/1041524492.db2.gz RXKFMQICLMSAQR-HXUWFJFHSA-N 2 1 385.939 3.526 20 0 GHADMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079379 1041524499 /nfs/dbraw/zinc/52/44/99/1041524499.db2.gz RXKFMQICLMSAQR-HXUWFJFHSA-N 2 1 385.939 3.526 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC001236080437 1041524817 /nfs/dbraw/zinc/52/48/17/1041524817.db2.gz AOWFSXRVARYXEY-UHFFFAOYSA-N 2 1 393.453 3.589 20 0 GHADMP Brc1cccc(C2CC[NH+](Cc3nc4c(s3)C[NH2+]CC4)CC2)c1 ZINC001236094363 1041532292 /nfs/dbraw/zinc/53/22/92/1041532292.db2.gz SJVAKKGVJMOGBU-UHFFFAOYSA-N 2 1 392.366 3.931 20 0 GHADMP Cn1cc[nH+]c1N([C@@H]1COC2(C1)CC[NH2+]CC2)[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001256114458 1041541811 /nfs/dbraw/zinc/54/18/11/1041541811.db2.gz DDVLUFYIOUBBJD-BDTNDASRSA-N 2 1 394.563 3.864 20 0 GHADMP c1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001236210876 1041621831 /nfs/dbraw/zinc/62/18/31/1041621831.db2.gz WYMGGLIKTLASAG-VWLOTQADSA-N 2 1 375.560 3.961 20 0 GHADMP c1ccc(CN(C2CC2)[C@H]2CCC[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001236210876 1041621836 /nfs/dbraw/zinc/62/18/36/1041621836.db2.gz WYMGGLIKTLASAG-VWLOTQADSA-N 2 1 375.560 3.961 20 0 GHADMP c1ccc(CN(C2CC2)[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001236210876 1041621844 /nfs/dbraw/zinc/62/18/44/1041621844.db2.gz WYMGGLIKTLASAG-VWLOTQADSA-N 2 1 375.560 3.961 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241199 1041640152 /nfs/dbraw/zinc/64/01/52/1041640152.db2.gz QUANUVZGXXZOCY-RUZDIDTESA-N 2 1 375.560 3.820 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241199 1041640155 /nfs/dbraw/zinc/64/01/55/1041640155.db2.gz QUANUVZGXXZOCY-RUZDIDTESA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241199 1041640163 /nfs/dbraw/zinc/64/01/63/1041640163.db2.gz QUANUVZGXXZOCY-RUZDIDTESA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241199 1041640166 /nfs/dbraw/zinc/64/01/66/1041640166.db2.gz QUANUVZGXXZOCY-RUZDIDTESA-N 3 1 375.560 3.820 20 0 GHADMP c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241199 1041640169 /nfs/dbraw/zinc/64/01/69/1041640169.db2.gz QUANUVZGXXZOCY-RUZDIDTESA-N 3 1 375.560 3.820 20 0 GHADMP COCCCOc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1OC ZINC001236301242 1041664694 /nfs/dbraw/zinc/66/46/94/1041664694.db2.gz YFHOSVQBUBMLDU-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP COCCCOc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc1OC ZINC001236301242 1041664706 /nfs/dbraw/zinc/66/47/06/1041664706.db2.gz YFHOSVQBUBMLDU-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP CCOC(=O)c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)cc1 ZINC001236321774 1041670460 /nfs/dbraw/zinc/67/04/60/1041670460.db2.gz PPAGRJSCZHIQHU-ZRZAMGCNSA-N 2 1 378.516 3.962 20 0 GHADMP Fc1ccc(C[N@H+](Cc2cccc(Br)n2)CC2CC[NH2+]CC2)cc1 ZINC001236379656 1041689493 /nfs/dbraw/zinc/68/94/93/1041689493.db2.gz DXQIZQBUPRGAEE-UHFFFAOYSA-N 2 1 392.316 3.985 20 0 GHADMP Cc1c[nH]c(=O)c(C[N@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)c1 ZINC001236378436 1041689516 /nfs/dbraw/zinc/68/95/16/1041689516.db2.gz QPFNIUYQFZPDKY-UHFFFAOYSA-N 2 1 390.325 3.612 20 0 GHADMP Cc1c[nH]c(=O)c(C[N@@H+](Cc2ccc(Br)cc2)C2CC[NH2+]CC2)c1 ZINC001236378436 1041689519 /nfs/dbraw/zinc/68/95/19/1041689519.db2.gz QPFNIUYQFZPDKY-UHFFFAOYSA-N 2 1 390.325 3.612 20 0 GHADMP CC[N@@H+](Cc1ccc(Br)cc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236410341 1041705277 /nfs/dbraw/zinc/70/52/77/1041705277.db2.gz YYVWCCKVHSAUQM-NSHDSACASA-N 2 1 381.236 3.779 20 0 GHADMP CC[N@H+](Cc1ccc(Br)cc1OC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC001236410341 1041705286 /nfs/dbraw/zinc/70/52/86/1041705286.db2.gz YYVWCCKVHSAUQM-NSHDSACASA-N 2 1 381.236 3.779 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H](CN(Cc3ccncc3)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001236438185 1041711172 /nfs/dbraw/zinc/71/11/72/1041711172.db2.gz SDEXBYGYVZQAHZ-BJKOFHAPSA-N 2 1 378.564 3.548 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(-n3ccnc3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236441302 1041712550 /nfs/dbraw/zinc/71/25/50/1041712550.db2.gz BYQBGMJIYJIGCP-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236441302 1041712557 /nfs/dbraw/zinc/71/25/57/1041712557.db2.gz BYQBGMJIYJIGCP-UHFFFAOYSA-N 2 1 376.504 3.635 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(-c3ccn(C)n3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236446619 1041716006 /nfs/dbraw/zinc/71/60/06/1041716006.db2.gz DWCILEUNELUUJF-UHFFFAOYSA-N 2 1 390.531 3.850 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(-c3ccn(C)n3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236446619 1041716012 /nfs/dbraw/zinc/71/60/12/1041716012.db2.gz DWCILEUNELUUJF-UHFFFAOYSA-N 2 1 390.531 3.850 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc(OC)c(C)c2C)C2CC[NH2+]CC2)c1 ZINC001236464611 1041726233 /nfs/dbraw/zinc/72/62/33/1041726233.db2.gz HITFMHDKTKLLFG-UHFFFAOYSA-N 2 1 396.531 3.853 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc(OC)c(C)c2C)C2CC[NH2+]CC2)c1 ZINC001236464611 1041726243 /nfs/dbraw/zinc/72/62/43/1041726243.db2.gz HITFMHDKTKLLFG-UHFFFAOYSA-N 2 1 396.531 3.853 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3cccnc3c2)C2CC[NH2+]CC2)c1 ZINC001236465100 1041727221 /nfs/dbraw/zinc/72/72/21/1041727221.db2.gz PFZOULOWBNAVES-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3cccnc3c2)C2CC[NH2+]CC2)c1 ZINC001236465100 1041727229 /nfs/dbraw/zinc/72/72/29/1041727229.db2.gz PFZOULOWBNAVES-UHFFFAOYSA-N 2 1 389.499 3.776 20 0 GHADMP O=C1N[C@@H](c2ccc(C3=C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2)CC12C[NH2+]C2 ZINC001236472446 1041730855 /nfs/dbraw/zinc/73/08/55/1041730855.db2.gz YFONPARIUDJESF-TZRRMPRUSA-N 2 1 399.538 3.658 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(C)cc2F)C2CC[NH2+]CC2)CC1 ZINC001236493166 1041738420 /nfs/dbraw/zinc/73/84/20/1041738420.db2.gz SPSFGYAYYRYKLX-IYARVYRRSA-N 2 1 376.516 3.668 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccccc2-n2cccn2)C2CC[NH2+]CC2)cc1F ZINC001236500005 1041741266 /nfs/dbraw/zinc/74/12/66/1041741266.db2.gz HPGIEUYFLLNWDX-UHFFFAOYSA-N 2 1 382.458 3.905 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2ccccc2-n2cccn2)C2CC[NH2+]CC2)cc1F ZINC001236500005 1041741273 /nfs/dbraw/zinc/74/12/73/1041741273.db2.gz HPGIEUYFLLNWDX-UHFFFAOYSA-N 2 1 382.458 3.905 20 0 GHADMP COC(=O)Cc1ccccc1C[N@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236522615 1041752533 /nfs/dbraw/zinc/75/25/33/1041752533.db2.gz VUNUHLORPVFQDG-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP COC(=O)Cc1ccccc1C[N@@H+](Cc1ccc(F)cc1C)C1CC[NH2+]CC1 ZINC001236522615 1041752539 /nfs/dbraw/zinc/75/25/39/1041752539.db2.gz VUNUHLORPVFQDG-UHFFFAOYSA-N 2 1 384.495 3.604 20 0 GHADMP Cc1cc(F)ccc1C[N@@H+](Cc1cc(=O)n(C)c2ccccc12)C1CC[NH2+]CC1 ZINC001236521757 1041752635 /nfs/dbraw/zinc/75/26/35/1041752635.db2.gz MRZLKCGOPDTLGF-UHFFFAOYSA-N 2 1 393.506 3.740 20 0 GHADMP Cc1cc(F)ccc1C[N@H+](Cc1cc(=O)n(C)c2ccccc12)C1CC[NH2+]CC1 ZINC001236521757 1041752637 /nfs/dbraw/zinc/75/26/37/1041752637.db2.gz MRZLKCGOPDTLGF-UHFFFAOYSA-N 2 1 393.506 3.740 20 0 GHADMP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236562717 1041764321 /nfs/dbraw/zinc/76/43/21/1041764321.db2.gz WCQPIUNBZPUGBW-DUXKGJEZSA-N 2 1 381.520 3.761 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccsc2I)C2CCC2)CC1 ZINC001236573350 1041766862 /nfs/dbraw/zinc/76/68/62/1041766862.db2.gz WGQLXMHOZIAPTJ-MQMHXKEQSA-N 2 1 390.334 3.977 20 0 GHADMP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@@H](N4CCC([NH3+])CC4)C3)ccc21 ZINC001236620321 1041786883 /nfs/dbraw/zinc/78/68/83/1041786883.db2.gz BKNTUTYPVVYTSW-HXUWFJFHSA-N 2 1 376.548 3.812 20 0 GHADMP CC(C)c1cc(Br)cc(CN2CCC(N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001236622060 1041787945 /nfs/dbraw/zinc/78/79/45/1041787945.db2.gz NKZVOMXCDAGCII-GOSISDBHSA-N 2 1 380.374 3.570 20 0 GHADMP CCOC(=O)c1cccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)n1 ZINC001236647416 1041801039 /nfs/dbraw/zinc/80/10/39/1041801039.db2.gz IZHNVWYGQFGMOH-OAQYLSRUSA-N 2 1 397.519 3.728 20 0 GHADMP COc1ccccc1C[N@@H+](CCc1ccc2c(c1)CCO2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700647 1041840619 /nfs/dbraw/zinc/84/06/19/1041840619.db2.gz NIRXQRUWFIDBHP-HZCBDIJESA-N 2 1 380.532 3.945 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236700580 1041841242 /nfs/dbraw/zinc/84/12/42/1041841242.db2.gz LIMCIJFNBLKQRD-YHBQERECSA-N 3 1 379.548 3.613 20 0 GHADMP CCOC(=O)COc1cccc(C[N@@H+](C(CC)CC)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236797281 1041901692 /nfs/dbraw/zinc/90/16/92/1041901692.db2.gz DFUSMZNOYZZHEZ-KESTWPANSA-N 2 1 376.541 3.889 20 0 GHADMP CCOc1cncc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001236840612 1041924867 /nfs/dbraw/zinc/92/48/67/1041924867.db2.gz ZTQUJDWDLQWHEA-UHFFFAOYSA-N 2 1 395.547 3.656 20 0 GHADMP CN1CCC([N@H+](Cc2ccc(Cc3ccccc3)cc2)C2CC[NH2+]CC2)CC1 ZINC001237038052 1041999090 /nfs/dbraw/zinc/99/90/90/1041999090.db2.gz ALYBGVCQOFFIPE-UHFFFAOYSA-N 2 1 377.576 3.926 20 0 GHADMP CN1CCC([N@@H+](Cc2ccc(Cc3ccccc3)cc2)C2CC[NH2+]CC2)CC1 ZINC001237038052 1041999092 /nfs/dbraw/zinc/99/90/92/1041999092.db2.gz ALYBGVCQOFFIPE-UHFFFAOYSA-N 2 1 377.576 3.926 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1sc(=O)[nH]c1Cl)CC2 ZINC001237157902 1042069992 /nfs/dbraw/zinc/06/99/92/1042069992.db2.gz KCGBKKAGLVSFJT-HNNXBMFYSA-N 2 1 381.929 3.972 20 0 GHADMP O=C(CCC[NH+]1CCN(CCC[NH2+]C2CCCCC2)CC1)c1ccc(F)cc1 ZINC001237190050 1042086512 /nfs/dbraw/zinc/08/65/12/1042086512.db2.gz BXVKLXCRSCWVRP-UHFFFAOYSA-N 2 1 389.559 3.719 20 0 GHADMP OCCOc1ccccc1C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001237208644 1042091546 /nfs/dbraw/zinc/09/15/46/1042091546.db2.gz LQXADBMHGGLBNO-UHFFFAOYSA-N 2 1 394.559 3.936 20 0 GHADMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001237266568 1042114209 /nfs/dbraw/zinc/11/42/09/1042114209.db2.gz WWHAWTWKROQUFY-UHFFFAOYSA-N 2 1 377.454 3.790 20 0 GHADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001237276330 1042119436 /nfs/dbraw/zinc/11/94/36/1042119436.db2.gz VGOJNUVIJVPXSD-SFHVURJKSA-N 2 1 392.522 3.762 20 0 GHADMP COc1ccc(-c2ccccc2)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC001237310347 1042138979 /nfs/dbraw/zinc/13/89/79/1042138979.db2.gz KYYAKGROPZKUST-UHFFFAOYSA-N 2 1 379.548 3.576 20 0 GHADMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC001237409566 1042195340 /nfs/dbraw/zinc/19/53/40/1042195340.db2.gz IADPCUQFXHTLAN-HSZRJFAPSA-N 2 1 393.531 3.610 20 0 GHADMP COc1ccc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1 ZINC001237706927 1042334686 /nfs/dbraw/zinc/33/46/86/1042334686.db2.gz HEHFHFMPJPQFEJ-QFIPXVFZSA-N 2 1 395.547 3.654 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3c1OCC3)CC2 ZINC001237743421 1042348700 /nfs/dbraw/zinc/34/87/00/1042348700.db2.gz SNEMHYDMWUFBSL-FQEVSTJZSA-N 2 1 398.572 3.939 20 0 GHADMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237835069 1042393127 /nfs/dbraw/zinc/39/31/27/1042393127.db2.gz DLNHIBKVOQBCLL-UHFFFAOYSA-N 2 1 395.595 3.773 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(CN3C[C@@H]4C[NH+](Cc5cccnc5)C[C@H]4C3)cc21 ZINC001237877564 1042405463 /nfs/dbraw/zinc/40/54/63/1042405463.db2.gz NYMBRJYRQIDBGO-DHIUTWEWSA-N 2 1 388.559 3.647 20 0 GHADMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@H]4C3)cc21 ZINC001237888731 1042411420 /nfs/dbraw/zinc/41/14/20/1042411420.db2.gz DGIBRNQIWNFJAK-ICSRJNTNSA-N 2 1 383.536 3.739 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(F)c(-c4ccccc4)c3)CC[C@@H]2C1 ZINC001238548764 1042636484 /nfs/dbraw/zinc/63/64/84/1042636484.db2.gz DGYXGGJMFQDWSF-ZJSXRUAMSA-N 2 1 398.522 3.662 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(F)c(-c4ccccc4)c3)CC[C@@H]2C1 ZINC001238548764 1042636486 /nfs/dbraw/zinc/63/64/86/1042636486.db2.gz DGYXGGJMFQDWSF-ZJSXRUAMSA-N 2 1 398.522 3.662 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(F)c(-c4ccccc4)c3)CC[C@@H]2C1 ZINC001238548764 1042636488 /nfs/dbraw/zinc/63/64/88/1042636488.db2.gz DGYXGGJMFQDWSF-ZJSXRUAMSA-N 2 1 398.522 3.662 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc(C)c1-c1ccc(F)cc1 ZINC001238555147 1042638203 /nfs/dbraw/zinc/63/82/03/1042638203.db2.gz HFLZJUNDAHHCMJ-JOCHJYFZSA-N 2 1 397.538 3.752 20 0 GHADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc(C)c1-c1ccc(F)cc1 ZINC001238555147 1042638205 /nfs/dbraw/zinc/63/82/05/1042638205.db2.gz HFLZJUNDAHHCMJ-JOCHJYFZSA-N 2 1 397.538 3.752 20 0 GHADMP O=C(NCc1ccccc1)c1ccc(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)cc1 ZINC001239908599 1042860677 /nfs/dbraw/zinc/86/06/77/1042860677.db2.gz DCWJOLIQTQEXGA-UHFFFAOYSA-N 2 1 382.467 3.618 20 0 GHADMP COc1ccc(CN2CC[NH+](C)CC2)cc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240389028 1042925067 /nfs/dbraw/zinc/92/50/67/1042925067.db2.gz RXENTCVQZMXNCO-UHFFFAOYSA-N 2 1 391.559 3.732 20 0 GHADMP C[NH+]1CCN(Cc2ccc(-c3ccc4c(c3)CCC43CC[NH2+]CC3)cc2)CC1 ZINC001240401790 1042926566 /nfs/dbraw/zinc/92/65/66/1042926566.db2.gz FHAKYZBZZOXPOT-UHFFFAOYSA-N 2 1 375.560 3.668 20 0 GHADMP C[NH+]1CCN(C2(c3ccc(-c4ccc(C[NH+]5CCCC5)cn4)cc3)CC2)CC1 ZINC001240579346 1042942670 /nfs/dbraw/zinc/94/26/70/1042942670.db2.gz KHYMNENFOKFBIZ-UHFFFAOYSA-N 2 1 376.548 3.581 20 0 GHADMP c1cc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)ccc1COC1CC[NH2+]CC1 ZINC001240860595 1042960295 /nfs/dbraw/zinc/96/02/95/1042960295.db2.gz DCEJNGMXBWVGHT-UHFFFAOYSA-N 2 1 392.543 3.944 20 0 GHADMP C[NH+](C)CCOc1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)cc1F ZINC001240868747 1042961514 /nfs/dbraw/zinc/96/15/14/1042961514.db2.gz OSOCFMIYKVTAIR-UHFFFAOYSA-N 2 1 384.495 3.754 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CC[N@@H+](CC)C(C)C ZINC001291563194 1043345921 /nfs/dbraw/zinc/34/59/21/1043345921.db2.gz PWGCDGRCEIVWBX-LJQANCHMSA-N 2 1 392.636 3.833 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC[NH+](CC)C(C)C ZINC001291563194 1043345929 /nfs/dbraw/zinc/34/59/29/1043345929.db2.gz PWGCDGRCEIVWBX-LJQANCHMSA-N 2 1 392.636 3.833 20 0 GHADMP CC[C@@H](C)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CC[NH+](CC)C(C)C ZINC001291563194 1043345939 /nfs/dbraw/zinc/34/59/39/1043345939.db2.gz PWGCDGRCEIVWBX-LJQANCHMSA-N 2 1 392.636 3.833 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256520820 1043444644 /nfs/dbraw/zinc/44/46/44/1043444644.db2.gz UOEMYENXXOEFRZ-PXNSSMCTSA-N 2 1 399.970 3.742 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256520820 1043444648 /nfs/dbraw/zinc/44/46/48/1043444648.db2.gz UOEMYENXXOEFRZ-PXNSSMCTSA-N 2 1 399.970 3.742 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522183 1043446888 /nfs/dbraw/zinc/44/68/88/1043446888.db2.gz IIHUZPGKFIYPPZ-JBACZVJFSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256522183 1043446897 /nfs/dbraw/zinc/44/68/97/1043446897.db2.gz IIHUZPGKFIYPPZ-JBACZVJFSA-N 2 1 387.568 3.886 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC001256534875 1043473727 /nfs/dbraw/zinc/47/37/27/1043473727.db2.gz ADAMUANNFGCERF-DENIHFKCSA-N 2 1 398.547 3.863 20 0 GHADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC001256534875 1043473743 /nfs/dbraw/zinc/47/37/43/1043473743.db2.gz ADAMUANNFGCERF-DENIHFKCSA-N 2 1 398.547 3.863 20 0 GHADMP C[C@@H]1C[C@@H](N(c2ncccn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256535273 1043476755 /nfs/dbraw/zinc/47/67/55/1043476755.db2.gz DMQMQFCURWOUDD-NMIHRBCNSA-N 2 1 379.552 3.606 20 0 GHADMP C[C@@H]1C[C@@H](N2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC[N@H+]1Cc1ccccc1 ZINC001256536812 1043480532 /nfs/dbraw/zinc/48/05/32/1043480532.db2.gz GBTJNTFXCBCBMD-YJMBLLCNSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H](N2CC[NH+](CCc3cccs3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256551464 1043516490 /nfs/dbraw/zinc/51/64/90/1043516490.db2.gz SANWJHNMDRHHSI-IFMALSPDSA-N 2 1 383.605 3.961 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256553130 1043521406 /nfs/dbraw/zinc/52/14/06/1043521406.db2.gz FDPIPFOLYREXFG-XKCSPQBFSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256553130 1043521413 /nfs/dbraw/zinc/52/14/13/1043521413.db2.gz FDPIPFOLYREXFG-XKCSPQBFSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256553130 1043521422 /nfs/dbraw/zinc/52/14/22/1043521422.db2.gz FDPIPFOLYREXFG-XKCSPQBFSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)nc1 ZINC001256553130 1043521435 /nfs/dbraw/zinc/52/14/35/1043521435.db2.gz FDPIPFOLYREXFG-XKCSPQBFSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001256553597 1043521514 /nfs/dbraw/zinc/52/15/14/1043521514.db2.gz GXENHFMSGVQIPS-TZIWHRDSSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccc(OC2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)nc1 ZINC001256553597 1043521527 /nfs/dbraw/zinc/52/15/27/1043521527.db2.gz GXENHFMSGVQIPS-TZIWHRDSSA-N 2 1 395.547 3.987 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([NH+](C)C3CCOCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256556450 1043525887 /nfs/dbraw/zinc/52/58/87/1043525887.db2.gz ZFMPXLZQMZFBRP-YKSBVNFPSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([N@H+](C)C3CCOCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256556450 1043525897 /nfs/dbraw/zinc/52/58/97/1043525897.db2.gz ZFMPXLZQMZFBRP-YKSBVNFPSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC([N@@H+](C)C3CCOCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256556450 1043525904 /nfs/dbraw/zinc/52/59/04/1043525904.db2.gz ZFMPXLZQMZFBRP-YKSBVNFPSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256557635 1043529873 /nfs/dbraw/zinc/52/98/73/1043529873.db2.gz NXEDWOFDNRJGLA-NZQKXSOJSA-N 2 1 395.591 3.764 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256557635 1043529881 /nfs/dbraw/zinc/52/98/81/1043529881.db2.gz NXEDWOFDNRJGLA-NZQKXSOJSA-N 2 1 395.591 3.764 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]12 ZINC001256570506 1043542643 /nfs/dbraw/zinc/54/26/43/1043542643.db2.gz LXEWARKGFDHJEM-LADGPHEKSA-N 2 1 383.580 3.514 20 0 GHADMP CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@H]12 ZINC001256570506 1043542655 /nfs/dbraw/zinc/54/26/55/1043542655.db2.gz LXEWARKGFDHJEM-LADGPHEKSA-N 2 1 383.580 3.514 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC001256593975 1043560157 /nfs/dbraw/zinc/56/01/57/1043560157.db2.gz KPAZWOJJOUSCDA-IBGZPJMESA-N 2 1 375.520 3.966 20 0 GHADMP [NH3+]C1(Cc2cccc(F)c2)CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256602525 1043565933 /nfs/dbraw/zinc/56/59/33/1043565933.db2.gz ZKEURWMBXLDUNO-UHFFFAOYSA-N 2 1 381.539 3.826 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[NH+](C4CCN(Cc5ccccc5)CC4)C[C@@H]3C2)c1 ZINC001256606241 1043571277 /nfs/dbraw/zinc/57/12/77/1043571277.db2.gz SISFXFWWJQIGTP-SFTDATJTSA-N 2 1 381.589 3.776 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256629554 1043582621 /nfs/dbraw/zinc/58/26/21/1043582621.db2.gz LHETYBCNRGYJMJ-INSZXGISSA-N 2 1 388.527 3.985 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256629554 1043582633 /nfs/dbraw/zinc/58/26/33/1043582633.db2.gz LHETYBCNRGYJMJ-INSZXGISSA-N 2 1 388.527 3.985 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]1[NH+](Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256629554 1043582639 /nfs/dbraw/zinc/58/26/39/1043582639.db2.gz LHETYBCNRGYJMJ-INSZXGISSA-N 2 1 388.527 3.985 20 0 GHADMP COc1cccc2c1CC[C@@H]([NH+]1CCC3(CC[N@@H+](Cc4cccnc4)C3)CC1)C2 ZINC001256650075 1043594644 /nfs/dbraw/zinc/59/46/44/1043594644.db2.gz FOTJTTPJCABBOF-JOCHJYFZSA-N 2 1 391.559 3.936 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CCC([NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CC1 ZINC001256670559 1043610944 /nfs/dbraw/zinc/61/09/44/1043610944.db2.gz HHRHCTARLLAOPU-UHFFFAOYSA-N 2 1 377.573 3.582 20 0 GHADMP CN(C(=O)OC(C)(C)C)C1CCC([NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001256670559 1043610956 /nfs/dbraw/zinc/61/09/56/1043610956.db2.gz HHRHCTARLLAOPU-UHFFFAOYSA-N 2 1 377.573 3.582 20 0 GHADMP O=C1N(c2ccsc2)CC[C@@]12CCC[N@H+](C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256858190 1043706150 /nfs/dbraw/zinc/70/61/50/1043706150.db2.gz BTJMNWMLBBTIRJ-JOCHJYFZSA-N 2 1 396.560 3.631 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860571 1043707667 /nfs/dbraw/zinc/70/76/67/1043707667.db2.gz ABSHSZPOYFWNGK-JQVVWYNYSA-N 2 1 398.595 3.846 20 0 GHADMP Cc1cccc(N([C@@H]2CO[C@]3(CC[NH2+]C3)C2)[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256912239 1043739827 /nfs/dbraw/zinc/73/98/27/1043739827.db2.gz BDQKXFSLJOACIN-TZRRMPRUSA-N 2 1 383.580 3.729 20 0 GHADMP [NH3+]Cc1ncn(C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)n1 ZINC001256925789 1043754577 /nfs/dbraw/zinc/75/45/77/1043754577.db2.gz NUNBVGNZVZPASA-UHFFFAOYSA-N 2 1 375.520 3.923 20 0 GHADMP C[C@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CC(=O)N1 ZINC001256932199 1043757966 /nfs/dbraw/zinc/75/79/66/1043757966.db2.gz OXUSFLYGFFHYCD-XOYNAWAESA-N 2 1 391.559 3.820 20 0 GHADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001257068104 1043830234 /nfs/dbraw/zinc/83/02/34/1043830234.db2.gz KZPSNPDUHNIHQF-LPHOPBHVSA-N 2 1 398.469 3.991 20 0 GHADMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206433 1043936971 /nfs/dbraw/zinc/93/69/71/1043936971.db2.gz TWYQAYAKLRZSCB-IYWMVGAKSA-N 2 1 379.589 3.684 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206433 1043936974 /nfs/dbraw/zinc/93/69/74/1043936974.db2.gz TWYQAYAKLRZSCB-IYWMVGAKSA-N 2 1 379.589 3.684 20 0 GHADMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C3)C[C@@H]2C1 ZINC001257206433 1043936977 /nfs/dbraw/zinc/93/69/77/1043936977.db2.gz TWYQAYAKLRZSCB-IYWMVGAKSA-N 2 1 379.589 3.684 20 0 GHADMP CCCNC(=O)c1ccccc1OC1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257222690 1043941110 /nfs/dbraw/zinc/94/11/10/1043941110.db2.gz BVVWYDIJFIBGBU-UHFFFAOYSA-N 2 1 387.568 3.542 20 0 GHADMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)[C@H](C)C1 ZINC001257756831 1044145500 /nfs/dbraw/zinc/14/55/00/1044145500.db2.gz QLNSQLNYYBKXKL-MJGOQNOKSA-N 2 1 379.589 3.875 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001293580815 1044249945 /nfs/dbraw/zinc/24/99/45/1044249945.db2.gz YQJSHOACHIHUGZ-XPWALMASSA-N 2 1 383.580 3.622 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3ccccn3)[C@H]2C1 ZINC001258127584 1044413575 /nfs/dbraw/zinc/41/35/75/1044413575.db2.gz TWTWRYYKBUIJDN-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001258127584 1044413580 /nfs/dbraw/zinc/41/35/80/1044413580.db2.gz TWTWRYYKBUIJDN-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001258127584 1044413585 /nfs/dbraw/zinc/41/35/85/1044413585.db2.gz TWTWRYYKBUIJDN-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001258127584 1044413590 /nfs/dbraw/zinc/41/35/90/1044413590.db2.gz TWTWRYYKBUIJDN-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP CCOC(=O)CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001258127584 1044413599 /nfs/dbraw/zinc/41/35/99/1044413599.db2.gz TWTWRYYKBUIJDN-BLKABHOGSA-N 2 1 387.568 3.736 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258131404 1044416494 /nfs/dbraw/zinc/41/64/94/1044416494.db2.gz IKLKZUXNJXPBMX-QHCPKHFHSA-N 2 1 387.568 3.683 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC001258134843 1044419654 /nfs/dbraw/zinc/41/96/54/1044419654.db2.gz TWWWKDMHVMWKFN-UHFFFAOYSA-N 2 1 380.532 3.589 20 0 GHADMP COc1ccccc1CN1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258138045 1044424221 /nfs/dbraw/zinc/42/42/21/1044424221.db2.gz QIIUIQOOQOYKKJ-DEOSSOPVSA-N 2 1 393.575 3.566 20 0 GHADMP C[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@@]1(O)C(F)(F)F ZINC001258141267 1044427349 /nfs/dbraw/zinc/42/73/49/1044427349.db2.gz XDDYLUPZRHXSNP-PXNSSMCTSA-N 2 1 384.486 3.719 20 0 GHADMP C[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@@]1(O)C(F)(F)F ZINC001258141267 1044427350 /nfs/dbraw/zinc/42/73/50/1044427350.db2.gz XDDYLUPZRHXSNP-PXNSSMCTSA-N 2 1 384.486 3.719 20 0 GHADMP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@@]1(O)C(F)(F)F ZINC001258141268 1044427478 /nfs/dbraw/zinc/42/74/78/1044427478.db2.gz XDDYLUPZRHXSNP-XLIONFOSSA-N 2 1 384.486 3.719 20 0 GHADMP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@@]1(O)C(F)(F)F ZINC001258141268 1044427480 /nfs/dbraw/zinc/42/74/80/1044427480.db2.gz XDDYLUPZRHXSNP-XLIONFOSSA-N 2 1 384.486 3.719 20 0 GHADMP CC[C@@H]1[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001258144888 1044430954 /nfs/dbraw/zinc/43/09/54/1044430954.db2.gz XXFRVSANOXBROC-UPVQGACJSA-N 2 1 383.580 3.559 20 0 GHADMP CC[C@@H]1[N@H+](C2CC[NH+](CCc3ccccc3)CC2)CCC[C@]12CCC(=O)N2C ZINC001258144888 1044430961 /nfs/dbraw/zinc/43/09/61/1044430961.db2.gz XXFRVSANOXBROC-UPVQGACJSA-N 2 1 383.580 3.559 20 0 GHADMP c1ccc(CC[NH+]2CCC(N3CC[N@H+]4CCc5ccccc5[C@@H]4C3)CC2)cc1 ZINC001258147709 1044437604 /nfs/dbraw/zinc/43/76/04/1044437604.db2.gz PIWJDFWMZWPWCA-VWLOTQADSA-N 2 1 375.560 3.609 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CCSC)CC2 ZINC001258217522 1044474379 /nfs/dbraw/zinc/47/43/79/1044474379.db2.gz ORKXUQJJMSFCOG-DLBZAZTESA-N 2 1 383.627 3.588 20 0 GHADMP COC(=O)CC[N@@H+](CCC[NH+](C)C)[C@H](C)CC(C)(C)SCc1ccco1 ZINC001258313184 1044502594 /nfs/dbraw/zinc/50/25/94/1044502594.db2.gz UPEYYOGGPRZZDZ-QGZVFWFLSA-N 2 1 384.586 3.887 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC1(C)C ZINC001258552244 1044630156 /nfs/dbraw/zinc/63/01/56/1044630156.db2.gz BTNAXAIKGJMHOJ-GOSISDBHSA-N 2 1 388.556 3.510 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746400 1044741646 /nfs/dbraw/zinc/74/16/46/1044741646.db2.gz HSGZGRXGTIBBTR-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746400 1044741665 /nfs/dbraw/zinc/74/16/65/1044741665.db2.gz HSGZGRXGTIBBTR-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746400 1044741684 /nfs/dbraw/zinc/74/16/84/1044741684.db2.gz HSGZGRXGTIBBTR-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)Cc1cccc(Cl)c1)C2 ZINC001258746400 1044741698 /nfs/dbraw/zinc/74/16/98/1044741698.db2.gz HSGZGRXGTIBBTR-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)[C@H]([C@@H](CC(=O)OC(C)(C)C)OC)[C@@H](C)CC)CC1 ZINC001258768241 1044755344 /nfs/dbraw/zinc/75/53/44/1044755344.db2.gz DXVKDTRYRLBTSK-DSKINZAPSA-N 2 1 384.605 3.954 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)[C@H]([C@@H](CC(=O)OC(C)(C)C)OC)[C@@H](C)CC)CC1 ZINC001258768241 1044755368 /nfs/dbraw/zinc/75/53/68/1044755368.db2.gz DXVKDTRYRLBTSK-DSKINZAPSA-N 2 1 384.605 3.954 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001295376478 1044992644 /nfs/dbraw/zinc/99/26/44/1044992644.db2.gz NHSDZRPBDHDXLY-CEXWTWQISA-N 2 1 390.620 3.585 20 0 GHADMP CC[NH+](CC)CCCn1c(C2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001295534282 1045044859 /nfs/dbraw/zinc/04/48/59/1045044859.db2.gz MHVZYIBONGBAPQ-UHFFFAOYSA-N 2 1 390.620 3.588 20 0 GHADMP CCN(C(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296065821 1045241458 /nfs/dbraw/zinc/24/14/58/1045241458.db2.gz OOHCQGZJFJQIJY-RDPSFJRHSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001296065821 1045241467 /nfs/dbraw/zinc/24/14/67/1045241467.db2.gz OOHCQGZJFJQIJY-RDPSFJRHSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065821 1045241474 /nfs/dbraw/zinc/24/14/74/1045241474.db2.gz OOHCQGZJFJQIJY-RDPSFJRHSA-N 2 1 391.559 3.556 20 0 GHADMP CCN(C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001296065821 1045241481 /nfs/dbraw/zinc/24/14/81/1045241481.db2.gz OOHCQGZJFJQIJY-RDPSFJRHSA-N 2 1 391.559 3.556 20 0 GHADMP O=C(CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1cccnc1 ZINC001261438055 1045998876 /nfs/dbraw/zinc/99/88/76/1045998876.db2.gz SUVWARBBABBQKY-FRIKZZABSA-N 2 1 378.520 3.586 20 0 GHADMP CC(C)C[NH+]1CCC(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001302340274 1046914735 /nfs/dbraw/zinc/91/47/35/1046914735.db2.gz OMBWCMHSQLHTAM-HSZRJFAPSA-N 2 1 385.596 3.915 20 0 GHADMP CC(C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCC[NH+](C(C)C)C(C)C ZINC001302699227 1047049084 /nfs/dbraw/zinc/04/90/84/1047049084.db2.gz DFBHVLQPHQLHGT-FQEVSTJZSA-N 2 1 390.620 3.585 20 0 GHADMP CCN(C(=O)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000590933568 1047253214 /nfs/dbraw/zinc/25/32/14/1047253214.db2.gz VBMGCIGLNQPQCQ-RBUKOAKNSA-N 2 1 398.526 3.873 20 0 GHADMP Brc1csc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001279165184 1047734808 /nfs/dbraw/zinc/73/48/08/1047734808.db2.gz NBNWZFABHMBNSS-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP Brc1csc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001279165184 1047734811 /nfs/dbraw/zinc/73/48/11/1047734811.db2.gz NBNWZFABHMBNSS-UHFFFAOYSA-N 2 1 395.370 3.722 20 0 GHADMP FC(F)(F)CCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cnc(Cl)nc3)(C1)CCC2 ZINC001279179405 1047738099 /nfs/dbraw/zinc/73/80/99/1047738099.db2.gz WTBGCFJWKFAOBA-JKSUJKDBSA-N 2 1 376.854 3.997 20 0 GHADMP Fc1cncc(F)c1C[NH+]1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001279407741 1047797157 /nfs/dbraw/zinc/79/71/57/1047797157.db2.gz KGZGVYDZJNQKEQ-UHFFFAOYSA-N 2 1 377.401 3.990 20 0 GHADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001279495706 1047824678 /nfs/dbraw/zinc/82/46/78/1047824678.db2.gz QYJQZEVGMMDKOC-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CSc1cccc(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001279495706 1047824687 /nfs/dbraw/zinc/82/46/87/1047824687.db2.gz QYJQZEVGMMDKOC-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CSc1cccc(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001279495706 1047824695 /nfs/dbraw/zinc/82/46/95/1047824695.db2.gz QYJQZEVGMMDKOC-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CSc1cccc(Cl)c1C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001279495706 1047824699 /nfs/dbraw/zinc/82/46/99/1047824699.db2.gz QYJQZEVGMMDKOC-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP CSc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)CC[C@@H]2C1 ZINC001279495706 1047824706 /nfs/dbraw/zinc/82/47/06/1047824706.db2.gz QYJQZEVGMMDKOC-CALCHBBNSA-N 2 1 382.017 3.767 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001279595828 1047859902 /nfs/dbraw/zinc/85/99/02/1047859902.db2.gz BZNYTVRVNRVOIF-RXVVDRJESA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001279595828 1047859920 /nfs/dbraw/zinc/85/99/20/1047859920.db2.gz BZNYTVRVNRVOIF-RXVVDRJESA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001279595828 1047859936 /nfs/dbraw/zinc/85/99/36/1047859936.db2.gz BZNYTVRVNRVOIF-RXVVDRJESA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001279595828 1047859953 /nfs/dbraw/zinc/85/99/53/1047859953.db2.gz BZNYTVRVNRVOIF-RXVVDRJESA-N 2 1 377.598 3.945 20 0 GHADMP C[NH+]1CCC(CC[NH+]2CCC3(CC[N@@H+](CCCC(F)(F)F)C3)CC2)CC1 ZINC001279620114 1047871632 /nfs/dbraw/zinc/87/16/32/1047871632.db2.gz JBXHHODVJKDIOP-UHFFFAOYSA-N 3 1 375.523 3.849 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(Cl)nc3)C[C@H]2CC1 ZINC001279650547 1047893311 /nfs/dbraw/zinc/89/33/11/1047893311.db2.gz SZEDFLUGXSFANU-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]2CC1 ZINC001279650547 1047893329 /nfs/dbraw/zinc/89/33/29/1047893329.db2.gz SZEDFLUGXSFANU-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]2CC1 ZINC001279650547 1047893340 /nfs/dbraw/zinc/89/33/40/1047893340.db2.gz SZEDFLUGXSFANU-CALCHBBNSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cnccc3Cl)C[C@H]2CC1 ZINC001279656343 1047897690 /nfs/dbraw/zinc/89/76/90/1047897690.db2.gz WUVPWBGGMXRKGS-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cnccc3Cl)C[C@H]2CC1 ZINC001279656343 1047897693 /nfs/dbraw/zinc/89/76/93/1047897693.db2.gz WUVPWBGGMXRKGS-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cnccc3Cl)C[C@H]2CC1 ZINC001279656343 1047897698 /nfs/dbraw/zinc/89/76/98/1047897698.db2.gz WUVPWBGGMXRKGS-IYBDPMFKSA-N 2 1 376.957 3.844 20 0 GHADMP CC[NH+](CC)CCN(C)C(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC001279782658 1047949290 /nfs/dbraw/zinc/94/92/90/1047949290.db2.gz KJKGVWDIRLOTRS-CTNGQTDRSA-N 2 1 377.598 3.541 20 0 GHADMP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](Cc1sc(Cl)c3ccccc31)CC2 ZINC001279952288 1048004352 /nfs/dbraw/zinc/00/43/52/1048004352.db2.gz PCMKBFWFKWNRSF-UHFFFAOYSA-N 2 1 391.968 3.541 20 0 GHADMP CC(C)c1ccc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)c(Cl)n1 ZINC001280184124 1048121369 /nfs/dbraw/zinc/12/13/69/1048121369.db2.gz IDHCZYKHFSCNQQ-OAQYLSRUSA-N 2 1 378.992 3.708 20 0 GHADMP C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H]2CC[NH+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216738 1048128692 /nfs/dbraw/zinc/12/86/92/1048128692.db2.gz GTOWMPNYBGDYRF-HRCADAONSA-N 2 1 378.479 3.703 20 0 GHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216738 1048128711 /nfs/dbraw/zinc/12/87/11/1048128711.db2.gz GTOWMPNYBGDYRF-HRCADAONSA-N 2 1 378.479 3.703 20 0 GHADMP C[C@@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001280216738 1048128731 /nfs/dbraw/zinc/12/87/31/1048128731.db2.gz GTOWMPNYBGDYRF-HRCADAONSA-N 2 1 378.479 3.703 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH2+][C@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480380 1048233190 /nfs/dbraw/zinc/23/31/90/1048233190.db2.gz DBSFKAIKTPJATR-YCXOGWGTSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCN[C@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480380 1048233195 /nfs/dbraw/zinc/23/31/95/1048233195.db2.gz DBSFKAIKTPJATR-YCXOGWGTSA-N 2 1 375.560 3.980 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCN[C@H](c5ccccc5)C4)[C@H]3C2)cc1 ZINC000643480380 1048233199 /nfs/dbraw/zinc/23/31/99/1048233199.db2.gz DBSFKAIKTPJATR-YCXOGWGTSA-N 2 1 375.560 3.980 20 0 GHADMP C[N@H+]1CC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC001306178835 1048495690 /nfs/dbraw/zinc/49/56/90/1048495690.db2.gz KXDUHHIYNQTKHS-ZJOUEHCJSA-N 2 1 383.561 3.694 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)[NH+]1CCCC1 ZINC001306353840 1048593545 /nfs/dbraw/zinc/59/35/45/1048593545.db2.gz HPWLDVYXSDNFKX-CEWLAPEOSA-N 2 1 397.588 3.564 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)c3cccnc23)CC1 ZINC001307420455 1049258596 /nfs/dbraw/zinc/25/85/96/1049258596.db2.gz HBZOJEVVHBYODR-UHFFFAOYSA-N 2 1 383.536 3.965 20 0 GHADMP COCC[C@H](c1ccccc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307459257 1049296248 /nfs/dbraw/zinc/29/62/48/1049296248.db2.gz ROURKRLNERQKBW-XMMPIXPASA-N 2 1 381.564 3.514 20 0 GHADMP CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC001307716349 1049531114 /nfs/dbraw/zinc/53/11/14/1049531114.db2.gz BWDJMTBCCZIATF-IBGZPJMESA-N 2 1 389.609 3.932 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC001307762688 1049576738 /nfs/dbraw/zinc/57/67/38/1049576738.db2.gz ZJRYCMXAQKODPD-XMMPIXPASA-N 2 1 381.539 3.953 20 0 GHADMP O[C@@]1(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001307767146 1049579316 /nfs/dbraw/zinc/57/93/16/1049579316.db2.gz HHIJNGRUPWFRLS-HSZRJFAPSA-N 2 1 386.486 3.781 20 0 GHADMP O[C@@]1(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001307767146 1049579322 /nfs/dbraw/zinc/57/93/22/1049579322.db2.gz HHIJNGRUPWFRLS-HSZRJFAPSA-N 2 1 386.486 3.781 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1OCc1ccccc1 ZINC001307776757 1049585627 /nfs/dbraw/zinc/58/56/27/1049585627.db2.gz BUBVWMIHWSXEIF-RPWUZVMVSA-N 2 1 394.559 3.992 20 0 GHADMP COCC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC1CC[NH+](C)CC1 ZINC001307990856 1049743744 /nfs/dbraw/zinc/74/37/44/1049743744.db2.gz WAANYZBHVMMUJT-UHFFFAOYSA-N 2 1 395.547 3.729 20 0 GHADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC001308001286 1049749758 /nfs/dbraw/zinc/74/97/58/1049749758.db2.gz AACYGIQDGQBSMG-UXHICEINSA-N 2 1 394.987 3.975 20 0 GHADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCN1c1cc[nH+]cc1 ZINC001308040264 1049790460 /nfs/dbraw/zinc/79/04/60/1049790460.db2.gz LGJBGIPTGZQATK-AWEZNQCLSA-N 2 1 393.318 3.928 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3ccccc3n2C)CC1 ZINC001308202591 1049911263 /nfs/dbraw/zinc/91/12/63/1049911263.db2.gz JMRZQJUXHZUMQH-UHFFFAOYSA-N 2 1 376.548 3.606 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)c2)CCO1 ZINC001308220090 1049917522 /nfs/dbraw/zinc/91/75/22/1049917522.db2.gz FPTDRVGWOOGGMW-YGOYIFOWSA-N 2 1 386.580 3.982 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C4CCOCC4)C3)c2)CCO1 ZINC001308220090 1049917526 /nfs/dbraw/zinc/91/75/26/1049917526.db2.gz FPTDRVGWOOGGMW-YGOYIFOWSA-N 2 1 386.580 3.982 20 0 GHADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n2c1CCCC2 ZINC001308237734 1049922996 /nfs/dbraw/zinc/92/29/96/1049922996.db2.gz QJLIMKJAMJSFQR-UHFFFAOYSA-N 2 1 387.568 3.745 20 0 GHADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308281871 1049936114 /nfs/dbraw/zinc/93/61/14/1049936114.db2.gz CXUBXIQQBVHGAO-NOZRDPDXSA-N 2 1 387.527 3.721 20 0 GHADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001308281871 1049936117 /nfs/dbraw/zinc/93/61/17/1049936117.db2.gz CXUBXIQQBVHGAO-NOZRDPDXSA-N 2 1 387.527 3.721 20 0 GHADMP C[NH+](C)[C@@H]1CCN(c2ccc(NCC(C)(C)C[N@@H+](C)Cc3ccccc3)nc2)C1 ZINC001308337509 1049952097 /nfs/dbraw/zinc/95/20/97/1049952097.db2.gz KWWKERSGDDWWJE-JOCHJYFZSA-N 2 1 395.595 3.792 20 0 GHADMP Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1Br ZINC001308365048 1049959187 /nfs/dbraw/zinc/95/91/87/1049959187.db2.gz BYJXEMBQVUVLNX-IBGZPJMESA-N 2 1 389.337 3.614 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001290995383 1049966963 /nfs/dbraw/zinc/96/69/63/1049966963.db2.gz YHIKILUSBXXTMI-XJUOHMSHSA-N 2 1 385.596 3.834 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001290995383 1049966965 /nfs/dbraw/zinc/96/69/65/1049966965.db2.gz YHIKILUSBXXTMI-XJUOHMSHSA-N 2 1 385.596 3.834 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001290995383 1049966969 /nfs/dbraw/zinc/96/69/69/1049966969.db2.gz YHIKILUSBXXTMI-XJUOHMSHSA-N 2 1 385.596 3.834 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCn1cc(Br)cn1 ZINC001308423088 1049972811 /nfs/dbraw/zinc/97/28/11/1049972811.db2.gz ZIYDACJPFRWPDD-UHFFFAOYSA-N 2 1 393.373 3.784 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001308598351 1050025496 /nfs/dbraw/zinc/02/54/96/1050025496.db2.gz KRROELGTCLIZEV-INIZCTEOSA-N 2 1 382.570 3.636 20 0 GHADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001308860991 1050128131 /nfs/dbraw/zinc/12/81/31/1050128131.db2.gz TVRDEYONIXSHCI-UZLBHIALSA-N 2 1 392.465 3.993 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001308884130 1050138758 /nfs/dbraw/zinc/13/87/58/1050138758.db2.gz MHTLEMUMNGZJHI-OALUTQOASA-N 2 1 377.573 3.630 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC001308884129 1050138848 /nfs/dbraw/zinc/13/88/48/1050138848.db2.gz MHTLEMUMNGZJHI-MOPGFXCFSA-N 2 1 377.573 3.630 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(OCc2cccnc2)c1 ZINC001308978185 1050239978 /nfs/dbraw/zinc/23/99/78/1050239978.db2.gz QFGDLYMFUBJVQB-KSEOMHKRSA-N 2 1 395.547 3.831 20 0 GHADMP CN(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001327885693 1050314156 /nfs/dbraw/zinc/31/41/56/1050314156.db2.gz FOEOLQDSVRVBIT-UCBGAZFYSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001327885693 1050314160 /nfs/dbraw/zinc/31/41/60/1050314160.db2.gz FOEOLQDSVRVBIT-UCBGAZFYSA-N 2 1 391.559 3.991 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC001327885693 1050314167 /nfs/dbraw/zinc/31/41/67/1050314167.db2.gz FOEOLQDSVRVBIT-UCBGAZFYSA-N 2 1 391.559 3.991 20 0 GHADMP C[C@H](C(=O)Nc1ccnn1[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001328648997 1050575462 /nfs/dbraw/zinc/57/54/62/1050575462.db2.gz KXVNBEWEFICMQS-HDAAZOAOSA-N 2 1 395.551 3.530 20 0 GHADMP C[C@H](C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001328648997 1050575480 /nfs/dbraw/zinc/57/54/80/1050575480.db2.gz KXVNBEWEFICMQS-HDAAZOAOSA-N 2 1 395.551 3.530 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC001333679892 1051806217 /nfs/dbraw/zinc/80/62/17/1051806217.db2.gz NKILKTOYIVBCCK-JFSTXAPLSA-N 2 1 383.580 3.973 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC001333679892 1051806232 /nfs/dbraw/zinc/80/62/32/1051806232.db2.gz NKILKTOYIVBCCK-JFSTXAPLSA-N 2 1 383.580 3.973 20 0 GHADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC001333679892 1051806240 /nfs/dbraw/zinc/80/62/40/1051806240.db2.gz NKILKTOYIVBCCK-JFSTXAPLSA-N 2 1 383.580 3.973 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001311373973 1052069688 /nfs/dbraw/zinc/06/96/88/1052069688.db2.gz MWCFZJRBEIZFJM-WOJBJXKFSA-N 2 1 392.975 3.651 20 0 GHADMP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001311404982 1052110706 /nfs/dbraw/zinc/11/07/06/1052110706.db2.gz GXJPHYOVKSKHHV-RZUBCFFCSA-N 2 1 386.584 3.728 20 0 GHADMP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC001311537968 1052230177 /nfs/dbraw/zinc/23/01/77/1052230177.db2.gz SKDCCCXQYDYZPQ-PZJWPPBQSA-N 2 1 380.621 3.554 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC001336722909 1052316261 /nfs/dbraw/zinc/31/62/61/1052316261.db2.gz NOFVRCOZRREQOE-IBGZPJMESA-N 2 1 389.421 3.893 20 0 GHADMP Cn1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c(-c2cc(F)ccc2F)n1 ZINC001336742991 1052319754 /nfs/dbraw/zinc/31/97/54/1052319754.db2.gz VHHJYNQDANIENM-HNNXBMFYSA-N 2 1 385.462 3.554 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001312573532 1052796056 /nfs/dbraw/zinc/79/60/56/1052796056.db2.gz KBAKCCMEMIJQDQ-TZIWHRDSSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001312573532 1052796060 /nfs/dbraw/zinc/79/60/60/1052796060.db2.gz KBAKCCMEMIJQDQ-TZIWHRDSSA-N 2 1 388.600 3.707 20 0 GHADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001312573532 1052796064 /nfs/dbraw/zinc/79/60/64/1052796064.db2.gz KBAKCCMEMIJQDQ-TZIWHRDSSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068888 1052948938 /nfs/dbraw/zinc/94/89/38/1052948938.db2.gz ITECLUYKCIQQKL-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068888 1052948939 /nfs/dbraw/zinc/94/89/39/1052948939.db2.gz ITECLUYKCIQQKL-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP CCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC001313068888 1052948942 /nfs/dbraw/zinc/94/89/42/1052948942.db2.gz ITECLUYKCIQQKL-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC001318313076 1054560384 /nfs/dbraw/zinc/56/03/84/1054560384.db2.gz JJMCIBSIFCPSHA-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC001318313076 1054560401 /nfs/dbraw/zinc/56/04/01/1054560401.db2.gz JJMCIBSIFCPSHA-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC001318313076 1054560411 /nfs/dbraw/zinc/56/04/11/1054560411.db2.gz JJMCIBSIFCPSHA-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318313076 1054560429 /nfs/dbraw/zinc/56/04/29/1054560429.db2.gz JJMCIBSIFCPSHA-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318313076 1054560441 /nfs/dbraw/zinc/56/04/41/1054560441.db2.gz JJMCIBSIFCPSHA-HSZRJFAPSA-N 2 1 394.563 3.593 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001318665621 1054784315 /nfs/dbraw/zinc/78/43/15/1054784315.db2.gz QZEZVPPBFMCWCE-FYYLOGMGSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)c1 ZINC001318665621 1054784319 /nfs/dbraw/zinc/78/43/19/1054784319.db2.gz QZEZVPPBFMCWCE-FYYLOGMGSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)c1 ZINC001318665621 1054784331 /nfs/dbraw/zinc/78/43/31/1054784331.db2.gz QZEZVPPBFMCWCE-FYYLOGMGSA-N 2 1 385.596 3.978 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319657847 1055382843 /nfs/dbraw/zinc/38/28/43/1055382843.db2.gz ZECVXQMUTXQSKJ-MSOLQXFVSA-N 2 1 382.552 3.999 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001319657847 1055382858 /nfs/dbraw/zinc/38/28/58/1055382858.db2.gz ZECVXQMUTXQSKJ-MSOLQXFVSA-N 2 1 382.552 3.999 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001324101005 1057070436 /nfs/dbraw/zinc/07/04/36/1057070436.db2.gz GJHBKNUHGCISTO-WVUPVLJSSA-N 2 1 398.595 3.746 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324101005 1057070438 /nfs/dbraw/zinc/07/04/38/1057070438.db2.gz GJHBKNUHGCISTO-WVUPVLJSSA-N 2 1 398.595 3.746 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324101005 1057070441 /nfs/dbraw/zinc/07/04/41/1057070441.db2.gz GJHBKNUHGCISTO-WVUPVLJSSA-N 2 1 398.595 3.746 20 0 GHADMP COC(=O)Cc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000848572753 1057188252 /nfs/dbraw/zinc/18/82/52/1057188252.db2.gz LUGBJPNVOFUQTN-NUNAXRQHSA-N 2 1 378.516 3.687 20 0 GHADMP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CCCCC1 ZINC001326409059 1057477214 /nfs/dbraw/zinc/47/72/14/1057477214.db2.gz RJVIJJWVDOMGJQ-IBGZPJMESA-N 2 1 398.378 3.982 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000849060702 1057571957 /nfs/dbraw/zinc/57/19/57/1057571957.db2.gz LZZQKUPDJMNSMM-SFHVURJKSA-N 2 1 380.536 3.884 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000849061026 1057572681 /nfs/dbraw/zinc/57/26/81/1057572681.db2.gz CSKSMEFFNCUBGU-SFHVURJKSA-N 2 1 380.536 3.884 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC001440678567 1058580689 /nfs/dbraw/zinc/58/06/89/1058580689.db2.gz JTEYEEFAFYSNNW-GOSISDBHSA-N 2 1 377.960 3.543 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC001440736796 1058603300 /nfs/dbraw/zinc/60/33/00/1058603300.db2.gz HFZOMWAMHPWSLO-GBXCKJPGSA-N 2 1 393.575 3.503 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)Cc1ccccc1 ZINC001440736796 1058603310 /nfs/dbraw/zinc/60/33/10/1058603310.db2.gz HFZOMWAMHPWSLO-GBXCKJPGSA-N 2 1 393.575 3.503 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)cc1 ZINC001441370697 1058770911 /nfs/dbraw/zinc/77/09/11/1058770911.db2.gz KAMUMHWQHHORMU-FDDCHVKYSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001441370697 1058770920 /nfs/dbraw/zinc/77/09/20/1058770920.db2.gz KAMUMHWQHHORMU-FDDCHVKYSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001441370697 1058770942 /nfs/dbraw/zinc/77/09/42/1058770942.db2.gz KAMUMHWQHHORMU-FDDCHVKYSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1 ZINC001338809018 1058801976 /nfs/dbraw/zinc/80/19/76/1058801976.db2.gz GVYGGLFLCAOZPE-DENIHFKCSA-N 2 1 394.563 3.682 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1 ZINC001338809018 1058801994 /nfs/dbraw/zinc/80/19/94/1058801994.db2.gz GVYGGLFLCAOZPE-DENIHFKCSA-N 2 1 394.563 3.682 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC001442674015 1058992847 /nfs/dbraw/zinc/99/28/47/1058992847.db2.gz XABWBVMZPYWBOL-IRMYBRCSSA-N 2 1 383.580 3.730 20 0 GHADMP CC(C)CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C1CC[NH+](C)CC1 ZINC001443462337 1059134312 /nfs/dbraw/zinc/13/43/12/1059134312.db2.gz MIOPSKYJQSHQGG-HSZRJFAPSA-N 2 1 397.607 3.868 20 0 GHADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+]1CCCCC1 ZINC001446718026 1059841716 /nfs/dbraw/zinc/84/17/16/1059841716.db2.gz WOWAYVMAKGEBBP-UEQSERJNSA-N 2 1 397.607 3.914 20 0 GHADMP C[C@@H]1C[C@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)CC[NH2+]1 ZINC001340324214 1059857635 /nfs/dbraw/zinc/85/76/35/1059857635.db2.gz XDYWUKMHCUBQPS-NVXWUHKLSA-N 2 1 397.485 3.516 20 0 GHADMP C[N@H+](CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Cc1ccccc1 ZINC001347708998 1062587713 /nfs/dbraw/zinc/58/77/13/1062587713.db2.gz JRARVBHAZBTUTM-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP C[N@@H+](CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)Cc1ccccc1 ZINC001347708998 1062587735 /nfs/dbraw/zinc/58/77/35/1062587735.db2.gz JRARVBHAZBTUTM-UHFFFAOYSA-N 2 1 391.559 3.633 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1 ZINC001459357014 1064074710 /nfs/dbraw/zinc/07/47/10/1064074710.db2.gz YTSZPRQWVQTXMA-RBBKRZOGSA-N 2 1 399.966 3.766 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl)c1ccccc1 ZINC001459357014 1064074716 /nfs/dbraw/zinc/07/47/16/1064074716.db2.gz YTSZPRQWVQTXMA-RBBKRZOGSA-N 2 1 399.966 3.766 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CCC2CCCCC2)CC1 ZINC001459404186 1064087014 /nfs/dbraw/zinc/08/70/14/1064087014.db2.gz ISJNPEAOSWLAOE-UHFFFAOYSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c(C)cc1I ZINC001459617012 1064144951 /nfs/dbraw/zinc/14/49/51/1064144951.db2.gz WHVXLUBEFQTZAS-GOEBONIOSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1I ZINC001459617012 1064144961 /nfs/dbraw/zinc/14/49/61/1064144961.db2.gz WHVXLUBEFQTZAS-GOEBONIOSA-N 2 1 386.321 3.823 20 0 GHADMP Cc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)cc1I ZINC001459617012 1064144969 /nfs/dbraw/zinc/14/49/69/1064144969.db2.gz WHVXLUBEFQTZAS-GOEBONIOSA-N 2 1 386.321 3.823 20 0 GHADMP O=C(NCC[NH+]1CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001464161398 1064877826 /nfs/dbraw/zinc/87/78/26/1064877826.db2.gz UJXAJEXWHFOKJA-NHCUHLMSSA-N 2 1 397.588 3.566 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001464410631 1064993840 /nfs/dbraw/zinc/99/38/40/1064993840.db2.gz TURUBRBTXZSMSG-QFIPXVFZSA-N 2 1 399.966 3.971 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCCC2 ZINC001464698563 1065162643 /nfs/dbraw/zinc/16/26/43/1065162643.db2.gz WJCJNPLIAUYQBE-IBGZPJMESA-N 2 1 391.625 3.895 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847398865 1065215187 /nfs/dbraw/zinc/21/51/87/1065215187.db2.gz AYSOZADJEKBWBD-QFIPXVFZSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001464811430 1065224455 /nfs/dbraw/zinc/22/44/55/1065224455.db2.gz MUNOPDNNSSPERF-KNQAVFIVSA-N 2 1 379.548 3.754 20 0 GHADMP COc1ccccc1N1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001200105321 1065230757 /nfs/dbraw/zinc/23/07/57/1065230757.db2.gz FNFWMADBGPAODV-JOCHJYFZSA-N 2 1 393.575 3.818 20 0 GHADMP Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC001465885428 1065910099 /nfs/dbraw/zinc/91/00/99/1065910099.db2.gz CMDSGYPFDYEOAQ-CALCHBBNSA-N 2 1 380.536 3.920 20 0 GHADMP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C)[nH+]1 ZINC001465885428 1065910104 /nfs/dbraw/zinc/91/01/04/1065910104.db2.gz CMDSGYPFDYEOAQ-CALCHBBNSA-N 2 1 380.536 3.920 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)o1)C1CC1 ZINC001467335361 1067234874 /nfs/dbraw/zinc/23/48/74/1067234874.db2.gz NNKWFIAGWAQTKI-OAQYLSRUSA-N 2 1 381.520 3.516 20 0 GHADMP CC1CC[NH+]([C@@H](CNC(=O)NCC[N@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC001468008399 1067563066 /nfs/dbraw/zinc/56/30/66/1067563066.db2.gz GWOKGIDKVOHWET-SFHVURJKSA-N 2 1 392.613 3.552 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001468351927 1067698878 /nfs/dbraw/zinc/69/88/78/1067698878.db2.gz SHXYHAZXKYPHKX-FPOVZHCZSA-N 2 1 388.600 3.798 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC001477797708 1078571103 /nfs/dbraw/zinc/57/11/03/1078571103.db2.gz WWAWPIYYMNCXQY-TUNNFDKTSA-N 2 1 388.600 3.940 20 0 GHADMP C[C@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CCCO1 ZINC000849103758 1067729550 /nfs/dbraw/zinc/72/95/50/1067729550.db2.gz ADUWEQWDLIMNDW-SFHVURJKSA-N 2 1 382.508 3.916 20 0 GHADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)(C)C ZINC001477866194 1078601405 /nfs/dbraw/zinc/60/14/05/1078601405.db2.gz FSSXIGHRNSZIOL-RTWAWAEBSA-N 2 1 388.600 3.707 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001468947556 1067935784 /nfs/dbraw/zinc/93/57/84/1067935784.db2.gz PYKRHOICTPGNCB-RTBURBONSA-N 2 1 380.964 3.506 20 0 GHADMP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC001468978407 1067942981 /nfs/dbraw/zinc/94/29/81/1067942981.db2.gz TVOOFBFDSFYECB-MJGOQNOKSA-N 2 1 392.613 3.647 20 0 GHADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001469190493 1068020172 /nfs/dbraw/zinc/02/01/72/1068020172.db2.gz ROJJBCGHRIWARK-UHFFFAOYSA-N 2 1 392.563 3.555 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC001477994474 1078661505 /nfs/dbraw/zinc/66/15/05/1078661505.db2.gz DAMJRJHJMLULCK-NRFANRHFSA-N 2 1 386.584 3.731 20 0 GHADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001359858595 1068224888 /nfs/dbraw/zinc/22/48/88/1068224888.db2.gz OONWRDMQCPPVQN-FQEVSTJZSA-N 2 1 377.960 3.637 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001469706619 1068326488 /nfs/dbraw/zinc/32/64/88/1068326488.db2.gz JEIXGTMFSDFWEP-RBBKRZOGSA-N 2 1 388.600 3.516 20 0 GHADMP C[C@@H]1CN(C(=O)c2cccc(CC[NH+](C)C)c2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC001469753334 1068359047 /nfs/dbraw/zinc/35/90/47/1068359047.db2.gz NMLJKSQYLJGRLM-QHAWAJNXSA-N 2 1 393.575 3.914 20 0 GHADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC001469922022 1068471367 /nfs/dbraw/zinc/47/13/67/1068471367.db2.gz BEOGXFLEMRGUMH-FPOVZHCZSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001469922022 1068471370 /nfs/dbraw/zinc/47/13/70/1068471370.db2.gz BEOGXFLEMRGUMH-FPOVZHCZSA-N 2 1 388.600 3.707 20 0 GHADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001469922022 1068471374 /nfs/dbraw/zinc/47/13/74/1068471374.db2.gz BEOGXFLEMRGUMH-FPOVZHCZSA-N 2 1 388.600 3.707 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC001470203558 1068623862 /nfs/dbraw/zinc/62/38/62/1068623862.db2.gz WUZDLZRGDDUBQW-QFIPXVFZSA-N 2 1 398.595 3.701 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)[NH+](CC)CC)cc1 ZINC001470355714 1068695944 /nfs/dbraw/zinc/69/59/44/1068695944.db2.gz IHIUKUVSVBXYGL-NRFANRHFSA-N 2 1 388.600 3.758 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)[NH+](CC)CC)cc1 ZINC001470357244 1068698008 /nfs/dbraw/zinc/69/80/08/1068698008.db2.gz UXEHAZVZWDTQRN-NHCUHLMSSA-N 2 1 388.600 3.804 20 0 GHADMP C[N@@H+](CCCSCc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460555383 1068994542 /nfs/dbraw/zinc/99/45/42/1068994542.db2.gz GUAQEXVYHZRJIE-QHCPKHFHSA-N 2 1 384.589 3.879 20 0 GHADMP C[N@H+](CCCSCc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC001460555383 1068994533 /nfs/dbraw/zinc/99/45/33/1068994533.db2.gz GUAQEXVYHZRJIE-QHCPKHFHSA-N 2 1 384.589 3.879 20 0 GHADMP C[NH+](CCCSCc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001460555383 1068994546 /nfs/dbraw/zinc/99/45/46/1068994546.db2.gz GUAQEXVYHZRJIE-QHCPKHFHSA-N 2 1 384.589 3.879 20 0 GHADMP C[NH+](CCCSCc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001460555383 1068994548 /nfs/dbraw/zinc/99/45/48/1068994548.db2.gz GUAQEXVYHZRJIE-QHCPKHFHSA-N 2 1 384.589 3.879 20 0 GHADMP Cc1ccc([C@@H](NC(=O)CN[C@@H](Cn2ccnc2)c2ccccc2)C2CC2)cc1 ZINC001460696143 1069092908 /nfs/dbraw/zinc/09/29/08/1069092908.db2.gz RKRULWVGAPCLEF-LADGPHEKSA-N 2 1 388.515 3.790 20 0 GHADMP C[C@H](CCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCC1 ZINC001478416424 1078859442 /nfs/dbraw/zinc/85/94/42/1078859442.db2.gz APQPBCDCBCVCCG-NJYVYQBISA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC001478519295 1078902923 /nfs/dbraw/zinc/90/29/23/1078902923.db2.gz LDSJMMQBFIBENE-FQEVSTJZSA-N 2 1 378.605 3.596 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC001478599135 1078930196 /nfs/dbraw/zinc/93/01/96/1078930196.db2.gz GTHNQTQVPDKATI-OIBXWCBGSA-N 2 1 394.563 3.685 20 0 GHADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC001478599135 1078930197 /nfs/dbraw/zinc/93/01/97/1078930197.db2.gz GTHNQTQVPDKATI-OIBXWCBGSA-N 2 1 394.563 3.685 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC001471044548 1072901960 /nfs/dbraw/zinc/90/19/60/1072901960.db2.gz FTNVFCQMOQIGNE-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC001471044548 1072901962 /nfs/dbraw/zinc/90/19/62/1072901962.db2.gz FTNVFCQMOQIGNE-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC001471044548 1072901963 /nfs/dbraw/zinc/90/19/63/1072901963.db2.gz FTNVFCQMOQIGNE-FCEUIQTBSA-N 2 1 386.584 3.555 20 0 GHADMP Clc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001473502207 1073991968 /nfs/dbraw/zinc/99/19/68/1073991968.db2.gz UQXPNJHRJOMCLF-JOCHJYFZSA-N 2 1 386.923 3.826 20 0 GHADMP Clc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC001473502207 1073991970 /nfs/dbraw/zinc/99/19/70/1073991970.db2.gz UQXPNJHRJOMCLF-JOCHJYFZSA-N 2 1 386.923 3.826 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC001474084459 1074258167 /nfs/dbraw/zinc/25/81/67/1074258167.db2.gz KNXMAAGFUQJOSK-LJQANCHMSA-N 2 1 376.447 3.535 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001474091559 1074260930 /nfs/dbraw/zinc/26/09/30/1074260930.db2.gz LNRHWNFHWOXHKF-ZLGUVYLKSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC001474091559 1074260932 /nfs/dbraw/zinc/26/09/32/1074260932.db2.gz LNRHWNFHWOXHKF-ZLGUVYLKSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001474091556 1074261269 /nfs/dbraw/zinc/26/12/69/1074261269.db2.gz LNRHWNFHWOXHKF-MAODMQOUSA-N 2 1 385.939 3.899 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC001474091556 1074261274 /nfs/dbraw/zinc/26/12/74/1074261274.db2.gz LNRHWNFHWOXHKF-MAODMQOUSA-N 2 1 385.939 3.899 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3cc(Br)cc(Br)c3)[C@@H]2C1 ZINC001474302873 1074331294 /nfs/dbraw/zinc/33/12/94/1074331294.db2.gz JCDGBUNPVHFTLN-NILFDRSVSA-N 2 1 388.147 3.641 20 0 GHADMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3cc(Br)cc(Br)c3)[C@@H]2C1 ZINC001474302872 1074331549 /nfs/dbraw/zinc/33/15/49/1074331549.db2.gz JCDGBUNPVHFTLN-GLQYFDAESA-N 2 1 388.147 3.641 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001474317051 1074339329 /nfs/dbraw/zinc/33/93/29/1074339329.db2.gz HPLRJRYPRCQWNW-ZNMIVQPWSA-N 2 1 381.483 3.637 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001474317051 1074339339 /nfs/dbraw/zinc/33/93/39/1074339339.db2.gz HPLRJRYPRCQWNW-ZNMIVQPWSA-N 2 1 381.483 3.637 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001474317051 1074339352 /nfs/dbraw/zinc/33/93/52/1074339352.db2.gz HPLRJRYPRCQWNW-ZNMIVQPWSA-N 2 1 381.483 3.637 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001474317051 1074339362 /nfs/dbraw/zinc/33/93/62/1074339362.db2.gz HPLRJRYPRCQWNW-ZNMIVQPWSA-N 2 1 381.483 3.637 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001474500264 1074433652 /nfs/dbraw/zinc/43/36/52/1074433652.db2.gz GDUZMXCIXYZPEZ-REWPJTCUSA-N 2 1 387.568 3.827 20 0 GHADMP C[C@@H]1C[N@@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CCN1c1cc[nH+]cc1 ZINC001474686372 1074515374 /nfs/dbraw/zinc/51/53/74/1074515374.db2.gz UFSSHTQZVSEVAO-GCJKJVERSA-N 2 1 388.556 3.629 20 0 GHADMP COCOc1ccc(OC)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001474714258 1074530691 /nfs/dbraw/zinc/53/06/91/1074530691.db2.gz ZTMSPMXYAPISDU-IRLDBZIGSA-N 2 1 396.531 3.632 20 0 GHADMP COCOc1ccc(OC)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001474714258 1074530696 /nfs/dbraw/zinc/53/06/96/1074530696.db2.gz ZTMSPMXYAPISDU-IRLDBZIGSA-N 2 1 396.531 3.632 20 0 GHADMP COCOc1ccc(OC)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001474714258 1074530702 /nfs/dbraw/zinc/53/07/02/1074530702.db2.gz ZTMSPMXYAPISDU-IRLDBZIGSA-N 2 1 396.531 3.632 20 0 GHADMP COCOc1ccc(OC)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001474714258 1074530707 /nfs/dbraw/zinc/53/07/07/1074530707.db2.gz ZTMSPMXYAPISDU-IRLDBZIGSA-N 2 1 396.531 3.632 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCC2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001496157956 1079458678 /nfs/dbraw/zinc/45/86/78/1079458678.db2.gz DYECSYDIJULLEP-SFHVURJKSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)[NH+](C)CCn1c(C2CCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001496157956 1079458682 /nfs/dbraw/zinc/45/86/82/1079458682.db2.gz DYECSYDIJULLEP-SFHVURJKSA-N 2 1 390.620 3.587 20 0 GHADMP CC[C@H](C)[NH+](C)CCn1c(C2CCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001496157956 1079458687 /nfs/dbraw/zinc/45/86/87/1079458687.db2.gz DYECSYDIJULLEP-SFHVURJKSA-N 2 1 390.620 3.587 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ncccc2C[NH+]2CCCC2)cc1 ZINC001164622282 719111848 /nfs/dbraw/zinc/11/18/48/719111848.db2.gz BPRWQZKCRXMCQY-GMAHTHKFSA-N 2 1 376.548 3.778 20 0 GHADMP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000431777723 837453916 /nfs/dbraw/zinc/45/39/16/837453916.db2.gz BUVYTQMIBHMTSX-NQIIRXRSSA-N 2 1 385.577 3.769 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655691865 837673038 /nfs/dbraw/zinc/67/30/38/837673038.db2.gz YEIMYEMISHLWDA-HYBUGGRVSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655691865 837673044 /nfs/dbraw/zinc/67/30/44/837673044.db2.gz YEIMYEMISHLWDA-HYBUGGRVSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655691865 837673049 /nfs/dbraw/zinc/67/30/49/837673049.db2.gz YEIMYEMISHLWDA-HYBUGGRVSA-N 3 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655691865 837673053 /nfs/dbraw/zinc/67/30/53/837673053.db2.gz YEIMYEMISHLWDA-HYBUGGRVSA-N 2 1 385.596 3.794 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655691865 837673058 /nfs/dbraw/zinc/67/30/58/837673058.db2.gz YEIMYEMISHLWDA-HYBUGGRVSA-N 2 1 385.596 3.794 20 0 GHADMP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000655704474 837692392 /nfs/dbraw/zinc/69/23/92/837692392.db2.gz ZFHZWFCTJANAAW-DEOSSOPVSA-N 3 1 385.596 3.796 20 0 GHADMP c1cc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000655704474 837692398 /nfs/dbraw/zinc/69/23/98/837692398.db2.gz ZFHZWFCTJANAAW-DEOSSOPVSA-N 2 1 385.596 3.796 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000655708915 837701378 /nfs/dbraw/zinc/70/13/78/837701378.db2.gz PRPCWOPTZRWJPY-MJGOQNOKSA-N 2 1 378.582 3.550 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC1CCCC1 ZINC000655709163 837701618 /nfs/dbraw/zinc/70/16/18/837701618.db2.gz UAQUGZSDXGMOIO-NRFANRHFSA-N 2 1 388.552 3.750 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000655713064 837706862 /nfs/dbraw/zinc/70/68/62/837706862.db2.gz UYSWXNBCJBJWDW-UHFFFAOYSA-N 2 1 386.609 3.934 20 0 GHADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000655721541 837736014 /nfs/dbraw/zinc/73/60/14/837736014.db2.gz OZAPFGUMIPPAFE-ROUUACIJSA-N 2 1 386.458 3.706 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000654729319 834441286 /nfs/dbraw/zinc/44/12/86/834441286.db2.gz RPMZRZGXFJIMDX-XBYSBRQOSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000654729319 834441290 /nfs/dbraw/zinc/44/12/90/834441290.db2.gz RPMZRZGXFJIMDX-XBYSBRQOSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1Cc1ccccc1 ZINC000654729319 834441296 /nfs/dbraw/zinc/44/12/96/834441296.db2.gz RPMZRZGXFJIMDX-XBYSBRQOSA-N 2 1 398.595 3.698 20 0 GHADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cs2)cc1 ZINC000650706918 834552266 /nfs/dbraw/zinc/55/22/66/834552266.db2.gz VOUIMIXMIOMFKI-ABSDTBQOSA-N 2 1 387.549 3.537 20 0 GHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511253535 834553868 /nfs/dbraw/zinc/55/38/68/834553868.db2.gz OCFAWFXVVKGPRT-VPWXQRGCSA-N 2 1 377.960 3.712 20 0 GHADMP C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511253535 834553875 /nfs/dbraw/zinc/55/38/75/834553875.db2.gz OCFAWFXVVKGPRT-VPWXQRGCSA-N 2 1 377.960 3.712 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3Cc3ccccc3C)CC2)CC1 ZINC000654793081 834570744 /nfs/dbraw/zinc/57/07/44/834570744.db2.gz OQZKGNNEQVWGJA-XMMPIXPASA-N 2 1 397.607 3.725 20 0 GHADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000128139176 834614390 /nfs/dbraw/zinc/61/43/90/834614390.db2.gz AADDKLDZSDZLEL-INIZCTEOSA-N 2 1 394.357 3.584 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC(C)(C)C)cc3)CC2)CC1 ZINC000654829251 834626938 /nfs/dbraw/zinc/62/69/38/834626938.db2.gz KTLGDKGPZBRXEJ-UHFFFAOYSA-N 2 1 387.568 3.999 20 0 GHADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)sc1Br ZINC000375755999 834631261 /nfs/dbraw/zinc/63/12/61/834631261.db2.gz HLVGGBOUUAWZFU-KGLIPLIRSA-N 2 1 387.387 3.971 20 0 GHADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044913420 834806601 /nfs/dbraw/zinc/80/66/01/834806601.db2.gz YRILRUZVXLNDSW-UHFFFAOYSA-N 2 1 398.378 3.808 20 0 GHADMP CCn1c2ccccc2c2cc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccc21 ZINC000668741388 834948849 /nfs/dbraw/zinc/94/88/49/834948849.db2.gz RNPBHIHBIOTJMF-HXUWFJFHSA-N 2 1 377.532 3.845 20 0 GHADMP CCn1c2ccccc2c2cc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)ccc21 ZINC000668741388 834948856 /nfs/dbraw/zinc/94/88/56/834948856.db2.gz RNPBHIHBIOTJMF-HXUWFJFHSA-N 2 1 377.532 3.845 20 0 GHADMP Cc1ccccc1-n1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000685415116 834994722 /nfs/dbraw/zinc/99/47/22/834994722.db2.gz ZPKLGIBKDDGZIX-UHFFFAOYSA-N 2 1 389.547 3.920 20 0 GHADMP Cc1ccccc1-n1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000685415116 834994728 /nfs/dbraw/zinc/99/47/28/834994728.db2.gz ZPKLGIBKDDGZIX-UHFFFAOYSA-N 2 1 389.547 3.920 20 0 GHADMP C[C@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511286079 834994768 /nfs/dbraw/zinc/99/47/68/834994768.db2.gz LCEHQYDZHMVXIE-LNSLMDJYSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+](C)[C@H]4CC[N@@H+](C)C[C@@H]4C)cc3)nc12 ZINC000685470407 835032934 /nfs/dbraw/zinc/03/29/34/835032934.db2.gz MQUIAQIRRWBTEK-CVDCTZTESA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+](C)[C@H]4CC[N@H+](C)C[C@@H]4C)cc3)nc12 ZINC000685470407 835032940 /nfs/dbraw/zinc/03/29/40/835032940.db2.gz MQUIAQIRRWBTEK-CVDCTZTESA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@H]4CC[NH+](C)C[C@@H]4C)cc3)nc12 ZINC000685470407 835032945 /nfs/dbraw/zinc/03/29/45/835032945.db2.gz MQUIAQIRRWBTEK-CVDCTZTESA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@H]4CC[NH+](C)C[C@@H]4C)cc3)nc12 ZINC000685470407 835032951 /nfs/dbraw/zinc/03/29/51/835032951.db2.gz MQUIAQIRRWBTEK-CVDCTZTESA-N 2 1 392.547 3.994 20 0 GHADMP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000151145159 835047802 /nfs/dbraw/zinc/04/78/02/835047802.db2.gz NHPLNFZKKGHNNE-DEOSSOPVSA-N 2 1 397.538 3.838 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000151145159 835047809 /nfs/dbraw/zinc/04/78/09/835047809.db2.gz NHPLNFZKKGHNNE-DEOSSOPVSA-N 2 1 397.538 3.838 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cccc(F)c1 ZINC000583807282 835067191 /nfs/dbraw/zinc/06/71/91/835067191.db2.gz FQRNJTAELFZSSK-INIZCTEOSA-N 2 1 375.513 3.718 20 0 GHADMP O=C(CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1cccc(F)c1 ZINC000583807282 835067200 /nfs/dbraw/zinc/06/72/00/835067200.db2.gz FQRNJTAELFZSSK-INIZCTEOSA-N 2 1 375.513 3.718 20 0 GHADMP Cc1ccccc1[C@@H]1CC(=O)N(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000728195735 835093460 /nfs/dbraw/zinc/09/34/60/835093460.db2.gz NUYNSSNAGFLWQO-JOCHJYFZSA-N 2 1 383.580 3.856 20 0 GHADMP O=C1C[C@@H](c2cccc(F)c2)CN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000728196116 835095393 /nfs/dbraw/zinc/09/53/93/835095393.db2.gz PTRHEWBHMRPJBP-OAQYLSRUSA-N 2 1 387.543 3.687 20 0 GHADMP C(=C\C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)\C[NH+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000685604276 835212574 /nfs/dbraw/zinc/21/25/74/835212574.db2.gz HWUNMYGGFKZMPW-JFYYSQBFSA-N 2 1 386.580 3.610 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000511312325 835212756 /nfs/dbraw/zinc/21/27/56/835212756.db2.gz BPSGOBWCJMPGCQ-MEJCHQEMSA-N 2 1 394.559 3.709 20 0 GHADMP COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000511312325 835212763 /nfs/dbraw/zinc/21/27/63/835212763.db2.gz BPSGOBWCJMPGCQ-MEJCHQEMSA-N 2 1 394.559 3.709 20 0 GHADMP C[NH+](C)[C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000433347149 844032286 /nfs/dbraw/zinc/03/22/86/844032286.db2.gz KXIKEMPIOPISIN-OAQYLSRUSA-N 2 1 383.561 3.867 20 0 GHADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1nccc2ccccc21 ZINC000685644165 835255131 /nfs/dbraw/zinc/25/51/31/835255131.db2.gz YHJJQCQPKIYRLN-XLIONFOSSA-N 2 1 380.561 3.936 20 0 GHADMP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)OCCc2ccccc21 ZINC000685655557 835269151 /nfs/dbraw/zinc/26/91/51/835269151.db2.gz JXYIFBWGLQDARM-ZPZUNKDASA-N 2 1 394.559 3.601 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)F)nc1 ZINC000657969288 835320411 /nfs/dbraw/zinc/32/04/11/835320411.db2.gz LVWOBYZNAMTTLW-DNVCBOLYSA-N 2 1 375.463 3.827 20 0 GHADMP C[NH+](C)[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000433348002 844041251 /nfs/dbraw/zinc/04/12/51/844041251.db2.gz RDUDKMHWDHFHHY-UCBGAZFYSA-N 2 1 391.559 3.991 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc2ccncc2s1 ZINC000657814422 835373258 /nfs/dbraw/zinc/37/32/58/835373258.db2.gz AELNQXPPLQLIDC-RDJZCZTQSA-N 2 1 386.590 3.997 20 0 GHADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000658074090 835398972 /nfs/dbraw/zinc/39/89/72/835398972.db2.gz RKBYXMMHOTVQEL-DSNGMDLFSA-N 2 1 391.559 3.713 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1nc(C(F)(F)F)cs1 ZINC000658135047 835443866 /nfs/dbraw/zinc/44/38/66/835443866.db2.gz CWYDGHPLLDJZTP-IUODEOHRSA-N 2 1 385.455 3.579 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nc(C(F)(F)F)cs1 ZINC000658135047 835443870 /nfs/dbraw/zinc/44/38/70/835443870.db2.gz CWYDGHPLLDJZTP-IUODEOHRSA-N 2 1 385.455 3.579 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C(C)C)c(F)c1 ZINC000658137098 835461494 /nfs/dbraw/zinc/46/14/94/835461494.db2.gz JZRBJOLZWKQXQH-XXBNENTESA-N 2 1 386.511 3.888 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CC2)c(F)c1 ZINC000658141069 835467054 /nfs/dbraw/zinc/46/70/54/835467054.db2.gz VZUHYJZZVYOUFW-WMZHIEFXSA-N 2 1 384.495 3.642 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cc1 ZINC000658140895 835467525 /nfs/dbraw/zinc/46/75/25/835467525.db2.gz ALWVAMUHRBIHRR-YWZLYKJASA-N 2 1 389.337 3.867 20 0 GHADMP Clc1ccccc1-c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)no1 ZINC000419200353 844070378 /nfs/dbraw/zinc/07/03/78/844070378.db2.gz FEBKWEAWDUNSSG-UHFFFAOYSA-N 2 1 375.900 3.539 20 0 GHADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(F)cc2Br)CC1 ZINC000154473810 835686477 /nfs/dbraw/zinc/68/64/77/835686477.db2.gz ZSLSNSVLLSCJCT-OAHLLOKOSA-N 2 1 386.353 3.657 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000431630673 835908588 /nfs/dbraw/zinc/90/85/88/835908588.db2.gz MXRJIFDPNNCJKX-FQEVSTJZSA-N 2 1 377.960 3.685 20 0 GHADMP CC(C)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)cc(Br)c1 ZINC000657844635 835922365 /nfs/dbraw/zinc/92/23/65/835922365.db2.gz IJYRLWAXHCBUJN-GOSISDBHSA-N 2 1 387.337 3.722 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000657849327 835929366 /nfs/dbraw/zinc/92/93/66/835929366.db2.gz HNDIMRGLSMMSNP-LJQANCHMSA-N 2 1 383.374 3.717 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)oc(=O)n4C)cc2)C1 ZINC000509895396 844147008 /nfs/dbraw/zinc/14/70/08/844147008.db2.gz ACINACHJLPOATR-QGZVFWFLSA-N 2 1 379.504 3.653 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000613450078 836408638 /nfs/dbraw/zinc/40/86/38/836408638.db2.gz VKTPCKVERFQJEQ-NRFANRHFSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000613450078 836408646 /nfs/dbraw/zinc/40/86/46/836408646.db2.gz VKTPCKVERFQJEQ-NRFANRHFSA-N 2 1 393.575 3.709 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC000613450078 836408652 /nfs/dbraw/zinc/40/86/52/836408652.db2.gz VKTPCKVERFQJEQ-NRFANRHFSA-N 2 1 393.575 3.709 20 0 GHADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789749 836691859 /nfs/dbraw/zinc/69/18/59/836691859.db2.gz YOJZFSHCQCIGRH-HXUWFJFHSA-N 2 1 377.960 3.667 20 0 GHADMP CC(C)[C@H]1C[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c2ccccc21 ZINC000448287324 836719345 /nfs/dbraw/zinc/71/93/45/836719345.db2.gz JZBZWTWTWWPVGG-FGZHOGPDSA-N 2 1 386.584 3.538 20 0 GHADMP CC(C)[C@H]1C[C@@H](NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000448287324 836719353 /nfs/dbraw/zinc/71/93/53/836719353.db2.gz JZBZWTWTWWPVGG-FGZHOGPDSA-N 2 1 386.584 3.538 20 0 GHADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c(F)c1 ZINC000413921974 836783725 /nfs/dbraw/zinc/78/37/25/836783725.db2.gz YYDDNBAQHRGYKP-FQEVSTJZSA-N 2 1 377.504 3.502 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175640817 836923239 /nfs/dbraw/zinc/92/32/39/836923239.db2.gz OLOAPOOKFJGQJB-OFNKIYASSA-N 2 1 398.595 3.557 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000510949646 844234237 /nfs/dbraw/zinc/23/42/37/844234237.db2.gz KYVSUHKDQWANAW-JOCHJYFZSA-N 2 1 378.564 3.941 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000510949646 844234245 /nfs/dbraw/zinc/23/42/45/844234245.db2.gz KYVSUHKDQWANAW-JOCHJYFZSA-N 2 1 378.564 3.941 20 0 GHADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(C)=O ZINC000547828555 837162773 /nfs/dbraw/zinc/16/27/73/837162773.db2.gz ZTQCBMFWEIWQNH-UTKZUKDTSA-N 2 1 381.520 3.654 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275557342 837227281 /nfs/dbraw/zinc/22/72/81/837227281.db2.gz APVXVSOUUNPBSU-NRFANRHFSA-N 2 1 394.563 3.777 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659019263 837268304 /nfs/dbraw/zinc/26/83/04/837268304.db2.gz LTSGESBQPIGFGR-NRFANRHFSA-N 2 1 392.547 3.830 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1OC ZINC000030909920 837350381 /nfs/dbraw/zinc/35/03/81/837350381.db2.gz JJUWOSMQQJMBFY-UHFFFAOYSA-N 2 1 384.520 3.509 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000471375670 837379406 /nfs/dbraw/zinc/37/94/06/837379406.db2.gz GBLMDCDTIHMQCS-LJQANCHMSA-N 2 1 379.548 3.680 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H](CNC3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769011 837836298 /nfs/dbraw/zinc/83/62/98/837836298.db2.gz AZWCYDRYVKRKJG-VWNXMTODSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769011 837836307 /nfs/dbraw/zinc/83/63/07/837836307.db2.gz AZWCYDRYVKRKJG-VWNXMTODSA-N 2 1 385.596 3.522 20 0 GHADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CCN(C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655769011 837836311 /nfs/dbraw/zinc/83/63/11/837836311.db2.gz AZWCYDRYVKRKJG-VWNXMTODSA-N 2 1 385.596 3.522 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cncc(Br)c3)CC2)nc(C)[nH+]1 ZINC000565242401 837838506 /nfs/dbraw/zinc/83/85/06/837838506.db2.gz FEYJLUKZBITLMX-ZDUSSCGKSA-N 2 1 390.329 3.571 20 0 GHADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247236840 837860906 /nfs/dbraw/zinc/86/09/06/837860906.db2.gz DJROAUGFAKWKQB-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247236840 837860916 /nfs/dbraw/zinc/86/09/16/837860916.db2.gz DJROAUGFAKWKQB-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247236840 837860930 /nfs/dbraw/zinc/86/09/30/837860930.db2.gz DJROAUGFAKWKQB-NHCUHLMSSA-N 2 1 387.568 3.697 20 0 GHADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431852565 838026264 /nfs/dbraw/zinc/02/62/64/838026264.db2.gz ANRLACYSLOLHDN-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431852565 838026276 /nfs/dbraw/zinc/02/62/76/838026276.db2.gz ANRLACYSLOLHDN-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431852565 838026285 /nfs/dbraw/zinc/02/62/85/838026285.db2.gz ANRLACYSLOLHDN-GGAORHGYSA-N 2 1 383.580 3.764 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)[C@@H]1c1cccs1 ZINC000659264028 838027250 /nfs/dbraw/zinc/02/72/50/838027250.db2.gz JFHYAONBFNKTDW-NNMXDRDESA-N 2 1 397.588 3.940 20 0 GHADMP O=C1[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCN1c1ccccc1 ZINC000535679165 844285256 /nfs/dbraw/zinc/28/52/56/844285256.db2.gz DZFDGAIPSIGLHM-HSZRJFAPSA-N 2 1 389.543 3.780 20 0 GHADMP Cc1ccccc1NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535675470 844296687 /nfs/dbraw/zinc/29/66/87/844296687.db2.gz LILWJQBOFVWJHC-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP Cc1ccccc1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535675470 844296715 /nfs/dbraw/zinc/29/67/15/844296715.db2.gz LILWJQBOFVWJHC-UHFFFAOYSA-N 2 1 377.532 3.922 20 0 GHADMP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC2(CCC2)C1 ZINC000659290791 838213253 /nfs/dbraw/zinc/21/32/53/838213253.db2.gz AUBBZYYLTBKNRW-IBGZPJMESA-N 2 1 395.572 3.625 20 0 GHADMP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC2(CCC2)C1 ZINC000659290791 838213268 /nfs/dbraw/zinc/21/32/68/838213268.db2.gz AUBBZYYLTBKNRW-IBGZPJMESA-N 2 1 395.572 3.625 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1F ZINC000659288344 838221827 /nfs/dbraw/zinc/22/18/27/838221827.db2.gz GCCVOVWJMAKSCB-LJQANCHMSA-N 2 1 392.478 3.628 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000052209742 844305682 /nfs/dbraw/zinc/30/56/82/844305682.db2.gz OCSWRINZVVALFU-GOSISDBHSA-N 2 1 377.548 3.789 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000415916013 838264419 /nfs/dbraw/zinc/26/44/19/838264419.db2.gz GSGBUGLYIAHXOZ-UHFFFAOYSA-N 2 1 392.503 3.953 20 0 GHADMP C[NH2+]Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000415916013 838264427 /nfs/dbraw/zinc/26/44/27/838264427.db2.gz GSGBUGLYIAHXOZ-UHFFFAOYSA-N 2 1 392.503 3.953 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000415934127 838282191 /nfs/dbraw/zinc/28/21/91/838282191.db2.gz RBJZGKRBIVCYOL-DEOSSOPVSA-N 2 1 392.547 3.926 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000415936946 838289831 /nfs/dbraw/zinc/28/98/31/838289831.db2.gz XQOXKBSGJCJDPM-QHCPKHFHSA-N 2 1 380.536 3.972 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000415982305 838349645 /nfs/dbraw/zinc/34/96/45/838349645.db2.gz KTGWERKZMQPNMB-JTHBVZDNSA-N 2 1 392.547 3.924 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000415982302 838349675 /nfs/dbraw/zinc/34/96/75/838349675.db2.gz KTGWERKZMQPNMB-GGAORHGYSA-N 2 1 392.547 3.924 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000415982304 838349836 /nfs/dbraw/zinc/34/98/36/838349836.db2.gz KTGWERKZMQPNMB-GMAHTHKFSA-N 2 1 392.547 3.924 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000415975833 838353911 /nfs/dbraw/zinc/35/39/11/838353911.db2.gz UYMNYPTWJVYDSI-SFHVURJKSA-N 2 1 380.536 3.960 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000415985464 838362547 /nfs/dbraw/zinc/36/25/47/838362547.db2.gz SJHYMWVICPOWKI-QHCPKHFHSA-N 2 1 378.520 3.536 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(CC(F)(F)F)cc2)C1 ZINC000631109921 838504822 /nfs/dbraw/zinc/50/48/22/838504822.db2.gz IKNROZMIAHNGPE-HXUWFJFHSA-N 2 1 378.438 3.648 20 0 GHADMP O=C(CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl)N1CCN(c2ccccn2)CC1 ZINC000053278825 838633217 /nfs/dbraw/zinc/63/32/17/838633217.db2.gz RXOUXDNLFQDALE-HXUWFJFHSA-N 2 1 398.938 3.611 20 0 GHADMP O=C(CC[N@H+]1CCc2ccccc2C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000416149850 838636879 /nfs/dbraw/zinc/63/68/79/838636879.db2.gz IFSMZVIDOCRILX-NRFANRHFSA-N 2 1 383.580 3.549 20 0 GHADMP CC1(C)Cc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@@H]3CO)ccc2O1 ZINC000180986141 838693793 /nfs/dbraw/zinc/69/37/93/838693793.db2.gz QFRGHFWWRXAPLF-JOCHJYFZSA-N 2 1 380.532 3.647 20 0 GHADMP C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275764670 838764336 /nfs/dbraw/zinc/76/43/36/838764336.db2.gz UCFIGEIMKRJOQN-FXAWDEMLSA-N 2 1 383.502 3.761 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)CC1 ZINC000363804590 838898992 /nfs/dbraw/zinc/89/89/92/838898992.db2.gz VYPXBASAWAPKPQ-UHFFFAOYSA-N 2 1 398.620 3.583 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613644715 839058367 /nfs/dbraw/zinc/05/83/67/839058367.db2.gz XRUBZXZHEQKPTQ-MRXNPFEDSA-N 2 1 378.948 3.650 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415036248 839084706 /nfs/dbraw/zinc/08/47/06/839084706.db2.gz FODHBYHDECWBTM-AZUAARDMSA-N 2 1 392.469 3.914 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415036248 839084711 /nfs/dbraw/zinc/08/47/11/839084711.db2.gz FODHBYHDECWBTM-AZUAARDMSA-N 2 1 392.469 3.914 20 0 GHADMP CCCCCOc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1OC ZINC000415051930 839121469 /nfs/dbraw/zinc/12/14/69/839121469.db2.gz KAESJCNIZKSPHT-UHFFFAOYSA-N 2 1 389.584 3.570 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000472684371 839125998 /nfs/dbraw/zinc/12/59/98/839125998.db2.gz IQOXTUNULASJNK-YLJYHZDGSA-N 2 1 375.944 3.962 20 0 GHADMP CCOc1c(Cl)cccc1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415141004 839268067 /nfs/dbraw/zinc/26/80/67/839268067.db2.gz ZZKNVHBKLSYNLA-UHFFFAOYSA-N 2 1 387.955 3.822 20 0 GHADMP CC(C)[NH+](CCCNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000472740209 839349327 /nfs/dbraw/zinc/34/93/27/839349327.db2.gz WXZQZHDJWDQRHL-IBGZPJMESA-N 2 1 390.572 3.710 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)c1 ZINC000275866892 839361101 /nfs/dbraw/zinc/36/11/01/839361101.db2.gz NQSNPKCPVMUKLB-HSZRJFAPSA-N 2 1 377.536 3.959 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000433482857 844432868 /nfs/dbraw/zinc/43/28/68/844432868.db2.gz BODNUDJUEKJPTH-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP C[NH+](C)Cc1ccccc1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000433482857 844432873 /nfs/dbraw/zinc/43/28/73/844432873.db2.gz BODNUDJUEKJPTH-UHFFFAOYSA-N 2 1 391.515 3.903 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000892944371 839564551 /nfs/dbraw/zinc/56/45/51/839564551.db2.gz PTXMLJYFNHKAKH-OAHLLOKOSA-N 2 1 382.346 3.618 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000892944371 839564561 /nfs/dbraw/zinc/56/45/61/839564561.db2.gz PTXMLJYFNHKAKH-OAHLLOKOSA-N 2 1 382.346 3.618 20 0 GHADMP CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000415407741 839733586 /nfs/dbraw/zinc/73/35/86/839733586.db2.gz QANZEYWQMPAJOE-RTWAWAEBSA-N 2 1 390.572 3.571 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000377567951 839738847 /nfs/dbraw/zinc/73/88/47/839738847.db2.gz QNVKWEFCJBWGOS-GOSISDBHSA-N 2 1 375.900 3.679 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893018001 839942715 /nfs/dbraw/zinc/94/27/15/839942715.db2.gz AVKSBRWWNUDESN-RTWAWAEBSA-N 2 1 388.483 3.635 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)c(OC)cc1Cl ZINC000580675666 839996800 /nfs/dbraw/zinc/99/68/00/839996800.db2.gz UDECSNIPVWYLEC-INIZCTEOSA-N 2 1 396.963 3.537 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829277 840299216 /nfs/dbraw/zinc/29/92/16/840299216.db2.gz HHYHSCDPLUNARE-FYYLOGMGSA-N 2 1 390.527 3.691 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000416976644 840321261 /nfs/dbraw/zinc/32/12/61/840321261.db2.gz OTDXAZMRSRLQTG-CVDCTZTESA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000418499516 840333905 /nfs/dbraw/zinc/33/39/05/840333905.db2.gz YDXOBHKIKOATQO-OALUTQOASA-N 2 1 380.536 3.512 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000416985530 840336824 /nfs/dbraw/zinc/33/68/24/840336824.db2.gz YOALPOSSTSJHPI-HXUWFJFHSA-N 2 1 394.563 3.732 20 0 GHADMP C[C@@H](CCNC(=O)N1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473019246 840416236 /nfs/dbraw/zinc/41/62/36/840416236.db2.gz ZCGKCOOWDADYBX-FQEVSTJZSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000123361423 840536847 /nfs/dbraw/zinc/53/68/47/840536847.db2.gz XMGUSHSPLAAGEX-UWJYYQICSA-N 2 1 381.524 3.512 20 0 GHADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)CC1 ZINC000581011610 840588763 /nfs/dbraw/zinc/58/87/63/840588763.db2.gz IVRCBEBKNHMNFU-UHFFFAOYSA-N 2 1 386.565 3.803 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c1 ZINC000417402617 840828230 /nfs/dbraw/zinc/82/82/30/840828230.db2.gz MVQXAWBXCBKFHF-QHCPKHFHSA-N 2 1 390.531 3.791 20 0 GHADMP Brc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)sc1Br ZINC000299935679 840829710 /nfs/dbraw/zinc/82/97/10/840829710.db2.gz HRXIGRGRWPBVMG-ZJUUUORDSA-N 2 1 394.176 3.990 20 0 GHADMP Brc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)sc1Br ZINC000299935679 840829718 /nfs/dbraw/zinc/82/97/18/840829718.db2.gz HRXIGRGRWPBVMG-ZJUUUORDSA-N 2 1 394.176 3.990 20 0 GHADMP C[C@H]1C[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000512571371 844590147 /nfs/dbraw/zinc/59/01/47/844590147.db2.gz BAIRWHGNGALUQM-UGKGYDQZSA-N 2 1 379.548 3.779 20 0 GHADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C2 ZINC000660656331 841068813 /nfs/dbraw/zinc/06/88/13/841068813.db2.gz LIGOIDXLNDMNHM-PKTZIBPZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C2 ZINC000660656331 841068825 /nfs/dbraw/zinc/06/88/25/841068825.db2.gz LIGOIDXLNDMNHM-PKTZIBPZSA-N 2 1 397.588 3.762 20 0 GHADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C2 ZINC000660656331 841068836 /nfs/dbraw/zinc/06/88/36/841068836.db2.gz LIGOIDXLNDMNHM-PKTZIBPZSA-N 2 1 397.588 3.762 20 0 GHADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697969 841110204 /nfs/dbraw/zinc/11/02/04/841110204.db2.gz LYCNNOUTHWOSIM-UHFFFAOYSA-N 2 1 386.584 3.588 20 0 GHADMP C[C@@H]1CN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000656493958 841145180 /nfs/dbraw/zinc/14/51/80/841145180.db2.gz PYXXCPMRKAWFKM-GGAORHGYSA-N 2 1 393.575 3.914 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)N(CCC[NH3+])CC2CCCC2)[C@@H]1c1cccs1 ZINC000417730238 841162677 /nfs/dbraw/zinc/16/26/77/841162677.db2.gz DIUQFWFZVGYEOS-AZUAARDMSA-N 2 1 392.613 3.682 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000417887544 841240533 /nfs/dbraw/zinc/24/05/33/841240533.db2.gz ICNWWBUREUDRLM-KCESLBEFSA-N 2 1 394.563 3.662 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnnn2-c2ccccc2)cc1 ZINC000651677388 841313326 /nfs/dbraw/zinc/31/33/26/841313326.db2.gz GIXKPMLUUCBQNM-LJQANCHMSA-N 2 1 375.520 3.932 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(SC(=O)N(C)C)cc2)[C@@H](C)C1 ZINC000276211846 841378199 /nfs/dbraw/zinc/37/81/99/841378199.db2.gz KWGWWUFCWBOQJH-PXNSSMCTSA-N 2 1 393.597 3.687 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000185695202 861213538 /nfs/dbraw/zinc/21/35/38/861213538.db2.gz SIJMCVJTDCHJKP-UHFFFAOYSA-N 2 1 381.564 3.960 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000429103015 861220642 /nfs/dbraw/zinc/22/06/42/861220642.db2.gz MJSKSWFWGUKOEP-AVRDEDQJSA-N 2 1 384.568 3.528 20 0 GHADMP Cc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000661371764 841683511 /nfs/dbraw/zinc/68/35/11/841683511.db2.gz PLNWKRUSGVWWTJ-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP Cc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)NC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000661371764 841683517 /nfs/dbraw/zinc/68/35/17/841683517.db2.gz PLNWKRUSGVWWTJ-FQEVSTJZSA-N 2 1 391.559 3.522 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000684374595 841972059 /nfs/dbraw/zinc/97/20/59/841972059.db2.gz QTRFKUDDJDYAFS-LJQANCHMSA-N 2 1 381.545 3.602 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001167823548 842007856 /nfs/dbraw/zinc/00/78/56/842007856.db2.gz DJOSMEBGUWDLED-IBGZPJMESA-N 2 1 385.556 3.573 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccccc2N2CCCCC2)C1 ZINC000893490022 842051761 /nfs/dbraw/zinc/05/17/61/842051761.db2.gz LLEJDUJREXTTPK-QHCPKHFHSA-N 2 1 379.548 3.533 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001167826413 842058785 /nfs/dbraw/zinc/05/87/85/842058785.db2.gz YFETWOYIOGOBML-FUPPJEDESA-N 2 1 389.584 3.842 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1(C)C ZINC000623643444 861266839 /nfs/dbraw/zinc/26/68/39/861266839.db2.gz YLVNITCHHQTWDF-KNQAVFIVSA-N 2 1 377.532 3.846 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3F)c2)CCCO1 ZINC000432344716 842109993 /nfs/dbraw/zinc/10/99/93/842109993.db2.gz BRXKRIUSLFTOBG-IBGZPJMESA-N 2 1 386.511 3.995 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000600441779 842167296 /nfs/dbraw/zinc/16/72/96/842167296.db2.gz NKHRVXXBILEQFL-VQTJNVASSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000600441779 842167297 /nfs/dbraw/zinc/16/72/97/842167297.db2.gz NKHRVXXBILEQFL-VQTJNVASSA-N 2 1 387.568 3.544 20 0 GHADMP CC[NH+]1CCCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000600441779 842167300 /nfs/dbraw/zinc/16/73/00/842167300.db2.gz NKHRVXXBILEQFL-VQTJNVASSA-N 2 1 387.568 3.544 20 0 GHADMP C[C@H](NCc1ncc(CN(C)C)s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000512045856 842310878 /nfs/dbraw/zinc/31/08/78/842310878.db2.gz OJRQTTHLMKRHDK-HRAATJIYSA-N 2 1 389.565 3.620 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)C1 ZINC000652347135 842316068 /nfs/dbraw/zinc/31/60/68/842316068.db2.gz SPPCECTYJMDKAX-MQFRRQCYSA-N 2 1 393.531 3.585 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000432409645 842401762 /nfs/dbraw/zinc/40/17/62/842401762.db2.gz HQIPVFRKTSHDSH-SLYNCCJLSA-N 2 1 378.532 3.951 20 0 GHADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000432409645 842401768 /nfs/dbraw/zinc/40/17/68/842401768.db2.gz HQIPVFRKTSHDSH-SLYNCCJLSA-N 2 1 378.532 3.951 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCOC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001167841355 842412019 /nfs/dbraw/zinc/41/20/19/842412019.db2.gz LBPOKHPCOMVLIM-PMACEKPBSA-N 2 1 399.620 3.845 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509731799 842728026 /nfs/dbraw/zinc/72/80/26/842728026.db2.gz WQYDSOLYKDXBGH-UGKGYDQZSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509731799 842728034 /nfs/dbraw/zinc/72/80/34/842728034.db2.gz WQYDSOLYKDXBGH-UGKGYDQZSA-N 2 1 397.567 3.572 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000662142337 842747921 /nfs/dbraw/zinc/74/79/21/842747921.db2.gz LSTCRZCWTBGZDW-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000512177686 842761018 /nfs/dbraw/zinc/76/10/18/842761018.db2.gz DOWHDBYEUONUES-VWLOTQADSA-N 2 1 395.591 3.898 20 0 GHADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662158686 842778540 /nfs/dbraw/zinc/77/85/40/842778540.db2.gz XDLLQCTWUSSAJB-INIZCTEOSA-N 2 1 399.501 3.559 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1Cl ZINC000510505596 842873502 /nfs/dbraw/zinc/87/35/02/842873502.db2.gz YMKGDIDCYRJURM-OXJNMPFZSA-N 2 1 392.975 3.673 20 0 GHADMP CC(C)[C@@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000510540597 842930331 /nfs/dbraw/zinc/93/03/31/842930331.db2.gz PJNVQTDGQIXKHY-KCZVDYSFSA-N 2 1 392.632 3.695 20 0 GHADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313196 843121144 /nfs/dbraw/zinc/12/11/44/843121144.db2.gz GFJZIJQKCYRBKC-CXAGYDPISA-N 2 1 382.346 3.535 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C(C)C)cc1Cl ZINC000555598466 861381828 /nfs/dbraw/zinc/38/18/28/861381828.db2.gz VIWSWPMWQCMQBL-XMSQKQJNSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C(C)C)cc1Cl ZINC000555598466 861381847 /nfs/dbraw/zinc/38/18/47/861381847.db2.gz VIWSWPMWQCMQBL-XMSQKQJNSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C(C)C)cc1Cl ZINC000555598466 861381886 /nfs/dbraw/zinc/38/18/86/861381886.db2.gz VIWSWPMWQCMQBL-XMSQKQJNSA-N 2 1 394.987 3.929 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C(C)C)cc1Cl ZINC000555598466 861381901 /nfs/dbraw/zinc/38/19/01/861381901.db2.gz VIWSWPMWQCMQBL-XMSQKQJNSA-N 2 1 394.987 3.929 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)c1ccccc1Cl ZINC000662343343 843153083 /nfs/dbraw/zinc/15/30/83/843153083.db2.gz OSFBIZBVRFPUHE-UTKZUKDTSA-N 2 1 385.939 3.751 20 0 GHADMP c1oc(-c2ccccc2)nc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328144 843155620 /nfs/dbraw/zinc/15/56/20/843155620.db2.gz OVCWDUGGHKEMPC-UHFFFAOYSA-N 2 1 391.519 3.911 20 0 GHADMP c1oc(-c2ccccc2)nc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328144 843155637 /nfs/dbraw/zinc/15/56/37/843155637.db2.gz OVCWDUGGHKEMPC-UHFFFAOYSA-N 2 1 391.519 3.911 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3[NH2+]Cc4ccccc43)cc2)C1 ZINC000662389658 843177933 /nfs/dbraw/zinc/17/79/33/843177933.db2.gz YTXLZZJHDLODSA-WZONZLPQSA-N 2 1 377.532 3.769 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc4c(s3)CC[NH2+]C4)cc2)C1 ZINC000662388848 843184965 /nfs/dbraw/zinc/18/49/65/843184965.db2.gz UUEHJWBCGRAMNH-MRXNPFEDSA-N 2 1 383.561 3.556 20 0 GHADMP O[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188603976 843202521 /nfs/dbraw/zinc/20/25/21/843202521.db2.gz UWPMHGTWBORUHE-AZUAARDMSA-N 2 1 384.486 3.767 20 0 GHADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cccc2c1C[NH2+]C2 ZINC000662451687 843276617 /nfs/dbraw/zinc/27/66/17/843276617.db2.gz DMGFLTQCJNBYHS-LJQANCHMSA-N 2 1 383.923 3.728 20 0 GHADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cccc2c1C[NH2+]C2 ZINC000662451687 843276623 /nfs/dbraw/zinc/27/66/23/843276623.db2.gz DMGFLTQCJNBYHS-LJQANCHMSA-N 2 1 383.923 3.728 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512295551 843341794 /nfs/dbraw/zinc/34/17/94/843341794.db2.gz PUYWSPFCCFTBBX-ZILOHOTNSA-N 2 1 391.559 3.897 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Cl)c1Cl ZINC000662505522 843351022 /nfs/dbraw/zinc/35/10/22/843351022.db2.gz NLQPYOXFXHDTCA-XVSDVWIESA-N 2 1 396.362 3.729 20 0 GHADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Cl)c1Cl ZINC000662505522 843351037 /nfs/dbraw/zinc/35/10/37/843351037.db2.gz NLQPYOXFXHDTCA-XVSDVWIESA-N 2 1 396.362 3.729 20 0 GHADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(Cl)cc1 ZINC000432652477 843364044 /nfs/dbraw/zinc/36/40/44/843364044.db2.gz HNMQUDFXMASMJY-GOSISDBHSA-N 2 1 389.952 3.984 20 0 GHADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(Cl)cc1 ZINC000432652477 843364056 /nfs/dbraw/zinc/36/40/56/843364056.db2.gz HNMQUDFXMASMJY-GOSISDBHSA-N 2 1 389.952 3.984 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000662515602 843372141 /nfs/dbraw/zinc/37/21/41/843372141.db2.gz XFJMBLPKCHPUKF-LEWJYISDSA-N 2 1 385.458 3.522 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000662515602 843372149 /nfs/dbraw/zinc/37/21/49/843372149.db2.gz XFJMBLPKCHPUKF-LEWJYISDSA-N 2 1 385.458 3.522 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000662525931 843383030 /nfs/dbraw/zinc/38/30/30/843383030.db2.gz ZWJUPRMLPFCMJN-OAQYLSRUSA-N 2 1 383.923 3.609 20 0 GHADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000662525931 843383041 /nfs/dbraw/zinc/38/30/41/843383041.db2.gz ZWJUPRMLPFCMJN-OAQYLSRUSA-N 2 1 383.923 3.609 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431062716 843524714 /nfs/dbraw/zinc/52/47/14/843524714.db2.gz SQIZMTKGTKWPOJ-AVRDEDQJSA-N 2 1 390.531 3.555 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509731791 843670335 /nfs/dbraw/zinc/67/03/35/843670335.db2.gz WQYDSOLYKDXBGH-KNQAVFIVSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1[nH+]ccn1CCCCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509731791 843670341 /nfs/dbraw/zinc/67/03/41/843670341.db2.gz WQYDSOLYKDXBGH-KNQAVFIVSA-N 2 1 397.567 3.572 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303211786 843714842 /nfs/dbraw/zinc/71/48/42/843714842.db2.gz RHHFRTRVPRGRNB-HSZRJFAPSA-N 2 1 382.548 3.579 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000500610793 843731897 /nfs/dbraw/zinc/73/18/97/843731897.db2.gz QXLALDHEUVVQCM-SCPDWHHUSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182401431 843736417 /nfs/dbraw/zinc/73/64/17/843736417.db2.gz JPKZNKVQFGTTBS-RBUKOAKNSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182401431 843736427 /nfs/dbraw/zinc/73/64/27/843736427.db2.gz JPKZNKVQFGTTBS-RBUKOAKNSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182401431 843736442 /nfs/dbraw/zinc/73/64/42/843736442.db2.gz JPKZNKVQFGTTBS-RBUKOAKNSA-N 2 1 378.605 3.593 20 0 GHADMP Cc1nccn1CCCNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000510900350 843753661 /nfs/dbraw/zinc/75/36/61/843753661.db2.gz SJRICSKDBKGGAH-KDURUIRLSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000510900350 843753668 /nfs/dbraw/zinc/75/36/68/843753668.db2.gz SJRICSKDBKGGAH-KDURUIRLSA-N 2 1 397.567 3.559 20 0 GHADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000510900350 843753672 /nfs/dbraw/zinc/75/36/72/843753672.db2.gz SJRICSKDBKGGAH-KDURUIRLSA-N 2 1 397.567 3.559 20 0 GHADMP COCC[C@H](c1ccccc1)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512449253 843831454 /nfs/dbraw/zinc/83/14/54/843831454.db2.gz DPEFGQSJJHFGDM-LOSJGSFVSA-N 2 1 393.575 3.656 20 0 GHADMP CC[C@H]1C[NH+](Cc2cc(C[N@H+]3CCCO[C@@H](CC)C3)cc(OC)c2)CCCO1 ZINC000433210721 843860187 /nfs/dbraw/zinc/86/01/87/843860187.db2.gz XJZSUYAGYHHNSN-VXKWHMMOSA-N 2 1 390.568 3.697 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000179102913 861469961 /nfs/dbraw/zinc/46/99/61/861469961.db2.gz BZEHIXAWUKCRNC-GOTSBHOMSA-N 2 1 392.547 3.527 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000729308652 844839960 /nfs/dbraw/zinc/83/99/60/844839960.db2.gz KFIYRQTWYKBJER-UHFFFAOYSA-N 2 1 377.960 3.640 20 0 GHADMP O=C(CCCC[NH+]1CCCC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000729308652 844839968 /nfs/dbraw/zinc/83/99/68/844839968.db2.gz KFIYRQTWYKBJER-UHFFFAOYSA-N 2 1 377.960 3.640 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000512650060 844885888 /nfs/dbraw/zinc/88/58/88/844885888.db2.gz WUTFAZFWXFAVCJ-AFXVXQJMSA-N 2 1 384.564 3.605 20 0 GHADMP O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000663927421 844997545 /nfs/dbraw/zinc/99/75/45/844997545.db2.gz SQXBYOFMAKYARG-XMMPIXPASA-N 2 1 375.516 3.768 20 0 GHADMP COC(=O)[C@@H](C)Oc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000894113941 845212432 /nfs/dbraw/zinc/21/24/32/845212432.db2.gz SIEPXLPUMUNWGP-QGZVFWFLSA-N 2 1 397.519 3.539 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2cc(O[C@@H]4CCOC4)cc[nH+]2)C3)cc1 ZINC001170337173 881340840 /nfs/dbraw/zinc/34/08/40/881340840.db2.gz NOBXYMQIWYLQAL-XWSHUIEDSA-N 2 1 379.504 3.857 20 0 GHADMP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513430636 845424979 /nfs/dbraw/zinc/42/49/79/845424979.db2.gz XISGHXPHCMKURP-OAQYLSRUSA-N 2 1 388.552 3.717 20 0 GHADMP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000513430636 845424993 /nfs/dbraw/zinc/42/49/93/845424993.db2.gz XISGHXPHCMKURP-OAQYLSRUSA-N 2 1 388.552 3.717 20 0 GHADMP COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000513506405 845542821 /nfs/dbraw/zinc/54/28/21/845542821.db2.gz QAJYBBSHLGYUAG-MJGOQNOKSA-N 2 1 382.504 3.814 20 0 GHADMP C[N@H+](CCOc1cccc(C[NH2+]Cc2c(F)cccc2F)c1)C1CCOCC1 ZINC000102781554 845584828 /nfs/dbraw/zinc/58/48/28/845584828.db2.gz LHPSKWVNXFXRRC-UHFFFAOYSA-N 2 1 390.474 3.744 20 0 GHADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2c(F)cccc2F)c1)C1CCOCC1 ZINC000102781554 845584836 /nfs/dbraw/zinc/58/48/36/845584836.db2.gz LHPSKWVNXFXRRC-UHFFFAOYSA-N 2 1 390.474 3.744 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000664211764 845711047 /nfs/dbraw/zinc/71/10/47/845711047.db2.gz DYXZRZIJQJPNMT-AEFFLSMTSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000664211764 845711055 /nfs/dbraw/zinc/71/10/55/845711055.db2.gz DYXZRZIJQJPNMT-AEFFLSMTSA-N 2 1 380.602 3.551 20 0 GHADMP CCC[NH+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000664211764 845711066 /nfs/dbraw/zinc/71/10/66/845711066.db2.gz DYXZRZIJQJPNMT-AEFFLSMTSA-N 2 1 380.602 3.551 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000472089970 845787411 /nfs/dbraw/zinc/78/74/11/845787411.db2.gz IZZXDFWSIDBBFZ-AZUAARDMSA-N 2 1 394.629 3.894 20 0 GHADMP C[C@@H](NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000625325015 861611654 /nfs/dbraw/zinc/61/16/54/861611654.db2.gz GEODHGKCLBBAIM-SLFFLAALSA-N 2 1 379.548 3.610 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(-n2cccn2)cc1 ZINC000481542700 861640242 /nfs/dbraw/zinc/64/02/42/861640242.db2.gz KCWXGVOLQKJUOZ-UXHICEINSA-N 2 1 390.531 3.944 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(-n2cccn2)cc1 ZINC000481542700 861640251 /nfs/dbraw/zinc/64/02/51/861640251.db2.gz KCWXGVOLQKJUOZ-UXHICEINSA-N 2 1 390.531 3.944 20 0 GHADMP Cn1c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2cc(Cl)ccc21 ZINC000582056822 846169954 /nfs/dbraw/zinc/16/99/54/846169954.db2.gz PPLLXLLDQWKTJU-LAUBAEHRSA-N 2 1 382.895 3.572 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000673772765 861657483 /nfs/dbraw/zinc/65/74/83/861657483.db2.gz ICQOEFPRHRAUNT-HXUWFJFHSA-N 2 1 386.584 3.557 20 0 GHADMP C[NH+](C)C1CCC(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000421681509 846484301 /nfs/dbraw/zinc/48/43/01/846484301.db2.gz XXKSLLNUKNDDMS-UHFFFAOYSA-N 2 1 379.548 3.678 20 0 GHADMP CCN(C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501050888 846578317 /nfs/dbraw/zinc/57/83/17/846578317.db2.gz LWROPCKAAUCTNQ-LJQANCHMSA-N 2 1 380.536 3.671 20 0 GHADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090888 846612457 /nfs/dbraw/zinc/61/24/57/846612457.db2.gz TYYRPOCAIIVQAI-MOXWOTFGSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H](CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000501072568 846613465 /nfs/dbraw/zinc/61/34/65/846613465.db2.gz OGGKUFDMIIVWOS-HXUWFJFHSA-N 2 1 388.600 3.660 20 0 GHADMP Clc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1I ZINC000503088119 846793588 /nfs/dbraw/zinc/79/35/88/846793588.db2.gz UXDZAQXCPYEVRZ-OLZOCXBDSA-N 2 1 390.696 3.661 20 0 GHADMP Clc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1I ZINC000503088119 846793593 /nfs/dbraw/zinc/79/35/93/846793593.db2.gz UXDZAQXCPYEVRZ-OLZOCXBDSA-N 2 1 390.696 3.661 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)cc2)CC1 ZINC000501416938 846903014 /nfs/dbraw/zinc/90/30/14/846903014.db2.gz FYGWRCSHZIFOQC-VWNXMTODSA-N 2 1 378.564 3.645 20 0 GHADMP COc1ccc([C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C(C)C)cc1 ZINC000271736740 846907170 /nfs/dbraw/zinc/90/71/70/846907170.db2.gz DHCUGKJFZPWWOE-HSZRJFAPSA-N 2 1 395.547 3.570 20 0 GHADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000501407810 846910250 /nfs/dbraw/zinc/91/02/50/846910250.db2.gz QDWMLQMBUWMWRK-QFIPXVFZSA-N 2 1 386.584 3.765 20 0 GHADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000657399369 846951983 /nfs/dbraw/zinc/95/19/83/846951983.db2.gz IBRCDNPREZBUEE-VXKWHMMOSA-N 2 1 399.510 3.871 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000501493869 846963079 /nfs/dbraw/zinc/96/30/79/846963079.db2.gz CWFAQBODJVDLHK-GJYPPUQNSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000501493869 846963085 /nfs/dbraw/zinc/96/30/85/846963085.db2.gz CWFAQBODJVDLHK-GJYPPUQNSA-N 2 1 380.964 3.505 20 0 GHADMP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272276496 847035470 /nfs/dbraw/zinc/03/54/70/847035470.db2.gz CJVUKVYULNNJRQ-RBBKRZOGSA-N 2 1 378.564 3.546 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272415037 847072664 /nfs/dbraw/zinc/07/26/64/847072664.db2.gz GAQLFZXAEZIYKM-HOCLYGCPSA-N 2 1 391.437 3.543 20 0 GHADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272415037 847072672 /nfs/dbraw/zinc/07/26/72/847072672.db2.gz GAQLFZXAEZIYKM-HOCLYGCPSA-N 2 1 391.437 3.543 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[N@H+]1Cc1ccccc1 ZINC000657415849 847096304 /nfs/dbraw/zinc/09/63/04/847096304.db2.gz NTPPUVASNDGIDC-TZIWHRDSSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C[N@@H+]1Cc1ccccc1 ZINC000657415849 847096311 /nfs/dbraw/zinc/09/63/11/847096311.db2.gz NTPPUVASNDGIDC-TZIWHRDSSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2-c2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000657415849 847096319 /nfs/dbraw/zinc/09/63/19/847096319.db2.gz NTPPUVASNDGIDC-TZIWHRDSSA-N 2 1 375.520 3.658 20 0 GHADMP C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272527924 847100929 /nfs/dbraw/zinc/10/09/29/847100929.db2.gz AOKFPRHPYPBING-IRLDBZIGSA-N 2 1 391.559 3.809 20 0 GHADMP C[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272527923 847100976 /nfs/dbraw/zinc/10/09/76/847100976.db2.gz AOKFPRHPYPBING-IFMALSPDSA-N 2 1 391.559 3.809 20 0 GHADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000420360204 847138197 /nfs/dbraw/zinc/13/81/97/847138197.db2.gz KTLKGEHVOBTWLC-FPOVZHCZSA-N 2 1 385.939 3.523 20 0 GHADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000420360209 847138247 /nfs/dbraw/zinc/13/82/47/847138247.db2.gz KTLKGEHVOBTWLC-TZIWHRDSSA-N 2 1 385.939 3.523 20 0 GHADMP C[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272868208 847194515 /nfs/dbraw/zinc/19/45/15/847194515.db2.gz VVKCEUNMTPDCEE-UYAOXDASSA-N 2 1 380.536 3.509 20 0 GHADMP C[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272868208 847194522 /nfs/dbraw/zinc/19/45/22/847194522.db2.gz VVKCEUNMTPDCEE-UYAOXDASSA-N 2 1 380.536 3.509 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC[N@@H+]1C ZINC000481586944 861772644 /nfs/dbraw/zinc/77/26/44/861772644.db2.gz ZKMCLLMGAYYRHM-QYZOEREBSA-N 2 1 379.504 3.657 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC[N@H+]1C ZINC000481586944 861772649 /nfs/dbraw/zinc/77/26/49/861772649.db2.gz ZKMCLLMGAYYRHM-QYZOEREBSA-N 2 1 379.504 3.657 20 0 GHADMP CCc1nc([C@H](C)[NH2+]CCOCC[NH2+][C@@H](C)c2csc(CC)n2)cs1 ZINC000273427088 847336221 /nfs/dbraw/zinc/33/62/21/847336221.db2.gz WLSUFEWIMVDDCO-KBPBESRZSA-N 2 1 382.599 3.742 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000268709230 847560171 /nfs/dbraw/zinc/56/01/71/847560171.db2.gz FYNAESGCKZIDBX-IBGZPJMESA-N 2 1 375.520 3.625 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3Oc3cccnc3)CC2)CC1 ZINC000420977099 847603526 /nfs/dbraw/zinc/60/35/26/847603526.db2.gz HRRYDIGIUKELFO-UHFFFAOYSA-N 2 1 394.563 3.866 20 0 GHADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422733407 847788290 /nfs/dbraw/zinc/78/82/90/847788290.db2.gz QXYUMTUJSZMFAT-NDXORKPFSA-N 2 1 391.481 3.828 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842489 847862788 /nfs/dbraw/zinc/86/27/88/847862788.db2.gz YJNSHHNFDROIJW-FKFVHYFGSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842489 847862802 /nfs/dbraw/zinc/86/28/02/847862802.db2.gz YJNSHHNFDROIJW-FKFVHYFGSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842489 847862810 /nfs/dbraw/zinc/86/28/10/847862810.db2.gz YJNSHHNFDROIJW-FKFVHYFGSA-N 3 1 391.559 3.743 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422842489 847862821 /nfs/dbraw/zinc/86/28/21/847862821.db2.gz YJNSHHNFDROIJW-FKFVHYFGSA-N 3 1 391.559 3.743 20 0 GHADMP CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422889426 847872638 /nfs/dbraw/zinc/87/26/38/847872638.db2.gz PLZWEQDYMNBFEW-QHAWAJNXSA-N 2 1 392.609 3.658 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)[NH+](C)C)cc1 ZINC000611675662 847893287 /nfs/dbraw/zinc/89/32/87/847893287.db2.gz PNPMPAJJQYMCAF-GOTSBHOMSA-N 2 1 394.563 3.550 20 0 GHADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423057541 847955971 /nfs/dbraw/zinc/95/59/71/847955971.db2.gz ZMLANFFVRANNIC-QMTHXVAHSA-N 2 1 376.136 3.689 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001167598844 848019558 /nfs/dbraw/zinc/01/95/58/848019558.db2.gz LRMAMOUZSYTULF-HBUYNFGHSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001167598844 848019563 /nfs/dbraw/zinc/01/95/63/848019563.db2.gz LRMAMOUZSYTULF-HBUYNFGHSA-N 2 1 391.559 3.644 20 0 GHADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001167598844 848019570 /nfs/dbraw/zinc/01/95/70/848019570.db2.gz LRMAMOUZSYTULF-HBUYNFGHSA-N 2 1 391.559 3.644 20 0 GHADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccc(F)cc4)n3)cc2)C1 ZINC000657594284 848284214 /nfs/dbraw/zinc/28/42/14/848284214.db2.gz IAQRMIHQHJCZBX-NRFANRHFSA-N 2 1 397.519 3.806 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(-c4ccc(F)cc4)n3)cc2)C1 ZINC000657594284 848284224 /nfs/dbraw/zinc/28/42/24/848284224.db2.gz IAQRMIHQHJCZBX-NRFANRHFSA-N 2 1 397.519 3.806 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(-c4ccc(F)cc4)o3)cc2)C1 ZINC000657595910 848290698 /nfs/dbraw/zinc/29/06/98/848290698.db2.gz SMQDPLUKXNUEKP-NRFANRHFSA-N 2 1 380.463 3.942 20 0 GHADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Br ZINC000657596610 848298190 /nfs/dbraw/zinc/29/81/90/848298190.db2.gz OXOZRYMYJRVHDP-LJQANCHMSA-N 2 1 389.337 3.614 20 0 GHADMP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCCC1 ZINC000237907144 848789091 /nfs/dbraw/zinc/78/90/91/848789091.db2.gz FAUZOFZJWDYYND-UHFFFAOYSA-N 2 1 384.351 3.736 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000673837095 861948282 /nfs/dbraw/zinc/94/82/82/861948282.db2.gz FCCQTAIBZRPODY-QFIPXVFZSA-N 2 1 399.510 3.759 20 0 GHADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000673837095 861948290 /nfs/dbraw/zinc/94/82/90/861948290.db2.gz FCCQTAIBZRPODY-QFIPXVFZSA-N 2 1 399.510 3.759 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCCCO4)CC2)nc(C)[nH+]1 ZINC000162262450 848879092 /nfs/dbraw/zinc/87/90/92/848879092.db2.gz DKGJLIQLSWWVGU-INIZCTEOSA-N 2 1 382.508 3.574 20 0 GHADMP CCCCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H](C)c1ccc(C)o1 ZINC000604208751 861994475 /nfs/dbraw/zinc/99/44/75/861994475.db2.gz MNCXPEYLDGLTGU-MOPGFXCFSA-N 2 1 390.572 3.629 20 0 GHADMP CCCCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)c1ccc(C)o1 ZINC000604208751 861994488 /nfs/dbraw/zinc/99/44/88/861994488.db2.gz MNCXPEYLDGLTGU-MOPGFXCFSA-N 2 1 390.572 3.629 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000583193011 849300090 /nfs/dbraw/zinc/30/00/90/849300090.db2.gz KOLPVGJGRZVZMC-ILWGZMRPSA-N 2 1 398.595 3.638 20 0 GHADMP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(OC)c1 ZINC000162774182 849451771 /nfs/dbraw/zinc/45/17/71/849451771.db2.gz SJMMLKKQCMXJEG-INIZCTEOSA-N 2 1 387.524 3.871 20 0 GHADMP Fc1ccc(COc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)cc1 ZINC000657750302 849599915 /nfs/dbraw/zinc/59/99/15/849599915.db2.gz GNFYUIUAQHIEAA-JOCHJYFZSA-N 2 1 384.495 3.748 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C)(C)c4ccccc43)CC2)CC1 ZINC000583331731 849636839 /nfs/dbraw/zinc/63/68/39/849636839.db2.gz MJYAQZBPRPFTCC-UHFFFAOYSA-N 2 1 383.580 3.897 20 0 GHADMP COCC[NH+]1CCC([NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000566497533 849696710 /nfs/dbraw/zinc/69/67/10/849696710.db2.gz YHZDDVVBSQTUCZ-UHFFFAOYSA-N 2 1 383.355 3.864 20 0 GHADMP FC(F)(F)c1cc(Br)ccc1[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000423428650 849925328 /nfs/dbraw/zinc/92/53/28/849925328.db2.gz JOXSAICPWHIOFT-MYZSUADSSA-N 2 1 375.232 3.726 20 0 GHADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423511660 849961139 /nfs/dbraw/zinc/96/11/39/849961139.db2.gz NVJPTVJECVDSRF-AFMYVXGZSA-N 2 1 377.960 3.668 20 0 GHADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423511574 849961219 /nfs/dbraw/zinc/96/12/19/849961219.db2.gz NPGGNEWPFZMWTG-RPCJCACASA-N 2 1 398.620 3.909 20 0 GHADMP CC(C)Oc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC000423515022 849963272 /nfs/dbraw/zinc/96/32/72/849963272.db2.gz UZCPOTIPKLPIBD-IVMQYODDSA-N 2 1 379.976 3.994 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000504397569 850051854 /nfs/dbraw/zinc/05/18/54/850051854.db2.gz WOZJCKYUMQZJAP-UNMCSNQZSA-N 2 1 388.600 3.800 20 0 GHADMP Cc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000514640145 850091314 /nfs/dbraw/zinc/09/13/14/850091314.db2.gz YHDGQULNNMVCMO-JOCHJYFZSA-N 2 1 392.547 3.661 20 0 GHADMP Cc1cc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000514640145 850091322 /nfs/dbraw/zinc/09/13/22/850091322.db2.gz YHDGQULNNMVCMO-JOCHJYFZSA-N 2 1 392.547 3.661 20 0 GHADMP c1sc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)nc1-c1ccccc1 ZINC000518768968 850092110 /nfs/dbraw/zinc/09/21/10/850092110.db2.gz XUEXBUDQRIJJQA-UHFFFAOYSA-N 2 1 392.572 3.718 20 0 GHADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000518769012 850092456 /nfs/dbraw/zinc/09/24/56/850092456.db2.gz AIKZWZXRSCEAFP-JOCHJYFZSA-N 2 1 377.532 3.512 20 0 GHADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000518769012 850092463 /nfs/dbraw/zinc/09/24/63/850092463.db2.gz AIKZWZXRSCEAFP-JOCHJYFZSA-N 2 1 377.532 3.512 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1O ZINC000426426733 850111316 /nfs/dbraw/zinc/11/13/16/850111316.db2.gz ZREFJJHUXXNDHZ-RTBURBONSA-N 2 1 398.547 3.732 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1O ZINC000426426733 850111321 /nfs/dbraw/zinc/11/13/21/850111321.db2.gz ZREFJJHUXXNDHZ-RTBURBONSA-N 2 1 398.547 3.732 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000514805561 850312647 /nfs/dbraw/zinc/31/26/47/850312647.db2.gz XZKIPEVOGLVPOU-YOEHRIQHSA-N 2 1 397.357 3.773 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000514805561 850312657 /nfs/dbraw/zinc/31/26/57/850312657.db2.gz XZKIPEVOGLVPOU-YOEHRIQHSA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000514805561 850312668 /nfs/dbraw/zinc/31/26/68/850312668.db2.gz XZKIPEVOGLVPOU-YOEHRIQHSA-N 2 1 397.357 3.773 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)[C@@H](C)C1 ZINC000514805561 850312679 /nfs/dbraw/zinc/31/26/79/850312679.db2.gz XZKIPEVOGLVPOU-YOEHRIQHSA-N 2 1 397.357 3.773 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000435335446 850385457 /nfs/dbraw/zinc/38/54/57/850385457.db2.gz LAJHVZAPYABJJT-IBGZPJMESA-N 2 1 375.532 3.907 20 0 GHADMP CCOc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000424375821 850414037 /nfs/dbraw/zinc/41/40/37/850414037.db2.gz KDLSJYFLFXHLEY-HNNXBMFYSA-N 2 1 386.458 3.990 20 0 GHADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000435374288 850423173 /nfs/dbraw/zinc/42/31/73/850423173.db2.gz PYVNKMVQMHCPHK-MRXNPFEDSA-N 2 1 391.357 3.683 20 0 GHADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000435374288 850423179 /nfs/dbraw/zinc/42/31/79/850423179.db2.gz PYVNKMVQMHCPHK-MRXNPFEDSA-N 2 1 391.357 3.683 20 0 GHADMP COCCOc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435430902 850514846 /nfs/dbraw/zinc/51/48/46/850514846.db2.gz FUICFMJIRMTVJV-NRFANRHFSA-N 2 1 386.561 3.918 20 0 GHADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)n2)cc1 ZINC000515006172 850575686 /nfs/dbraw/zinc/57/56/86/850575686.db2.gz WFXAYDXLADMKCO-PMACEKPBSA-N 2 1 384.524 3.578 20 0 GHADMP Cc1cnccc1OC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000487231707 850586275 /nfs/dbraw/zinc/58/62/75/850586275.db2.gz CZGZYYLWZYUZLA-OAQYLSRUSA-N 2 1 393.531 3.672 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000487231707 850586281 /nfs/dbraw/zinc/58/62/81/850586281.db2.gz CZGZYYLWZYUZLA-OAQYLSRUSA-N 2 1 393.531 3.672 20 0 GHADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000487231707 850586287 /nfs/dbraw/zinc/58/62/87/850586287.db2.gz CZGZYYLWZYUZLA-OAQYLSRUSA-N 2 1 393.531 3.672 20 0 GHADMP Cc1ncsc1C[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000435734712 850821766 /nfs/dbraw/zinc/82/17/66/850821766.db2.gz XXKYOCDLZABSRJ-HNNXBMFYSA-N 2 1 392.956 3.545 20 0 GHADMP Cc1ncsc1C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000435734712 850821769 /nfs/dbraw/zinc/82/17/69/850821769.db2.gz XXKYOCDLZABSRJ-HNNXBMFYSA-N 2 1 392.956 3.545 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000519293959 850876409 /nfs/dbraw/zinc/87/64/09/850876409.db2.gz ZHXBAHCYGDDUBS-KNQAVFIVSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000519293959 850876413 /nfs/dbraw/zinc/87/64/13/850876413.db2.gz ZHXBAHCYGDDUBS-KNQAVFIVSA-N 2 1 398.595 3.735 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000519293959 850876417 /nfs/dbraw/zinc/87/64/17/850876417.db2.gz ZHXBAHCYGDDUBS-KNQAVFIVSA-N 2 1 398.595 3.735 20 0 GHADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817692 850908485 /nfs/dbraw/zinc/90/84/85/850908485.db2.gz MXSRNRROXOQZED-UHFFFAOYSA-N 2 1 375.538 3.646 20 0 GHADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000515376089 850965453 /nfs/dbraw/zinc/96/54/53/850965453.db2.gz XVOORLSJLRNUFL-TXTKFYIRSA-N 2 1 397.588 3.950 20 0 GHADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000515376089 850965459 /nfs/dbraw/zinc/96/54/59/850965459.db2.gz XVOORLSJLRNUFL-TXTKFYIRSA-N 2 1 397.588 3.950 20 0 GHADMP C[N@@H+](CCC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CCCCC1 ZINC000515579899 851217662 /nfs/dbraw/zinc/21/76/62/851217662.db2.gz GUVGQYWHYQXFHY-YADHBBJMSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CCCCC1 ZINC000515579899 851217673 /nfs/dbraw/zinc/21/76/73/851217673.db2.gz GUVGQYWHYQXFHY-YADHBBJMSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+](CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CCCCC1 ZINC000515579899 851217685 /nfs/dbraw/zinc/21/76/85/851217685.db2.gz GUVGQYWHYQXFHY-YADHBBJMSA-N 2 1 383.580 3.622 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1OC ZINC000514104030 851239146 /nfs/dbraw/zinc/23/91/46/851239146.db2.gz GTECSJWVUZQLDL-GOSISDBHSA-N 2 1 398.547 3.565 20 0 GHADMP CC(C)C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000514134486 851273842 /nfs/dbraw/zinc/27/38/42/851273842.db2.gz MZQXKZDOGCEIQL-SFHVURJKSA-N 2 1 385.474 3.546 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000469490847 851347773 /nfs/dbraw/zinc/34/77/73/851347773.db2.gz YQCLOLXXTRGMCJ-HZSPNIEDSA-N 2 1 382.346 3.711 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000469490847 851347778 /nfs/dbraw/zinc/34/77/78/851347778.db2.gz YQCLOLXXTRGMCJ-HZSPNIEDSA-N 2 1 382.346 3.711 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)[C@@H](c2ccccc2)C1 ZINC000436275640 851418849 /nfs/dbraw/zinc/41/88/49/851418849.db2.gz PIVGBLMYZZSSQW-OAQYLSRUSA-N 2 1 395.576 3.607 20 0 GHADMP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434677313 851474789 /nfs/dbraw/zinc/47/47/89/851474789.db2.gz WHCJHOORQXOYCM-NRFANRHFSA-N 2 1 397.563 3.962 20 0 GHADMP FC(F)Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515845923 851557504 /nfs/dbraw/zinc/55/75/04/851557504.db2.gz XYMAAHQLAIKXRS-CHWSQXEVSA-N 2 1 389.284 3.872 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000510009777 851587153 /nfs/dbraw/zinc/58/71/53/851587153.db2.gz LQRZMVBUHRFZAX-UHFFFAOYSA-N 2 1 381.524 3.999 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)c1 ZINC000473731103 851767611 /nfs/dbraw/zinc/76/76/11/851767611.db2.gz DDEFKFJBPZZNIK-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000473731103 851767621 /nfs/dbraw/zinc/76/76/21/851767621.db2.gz DDEFKFJBPZZNIK-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000473731103 851767626 /nfs/dbraw/zinc/76/76/26/851767626.db2.gz DDEFKFJBPZZNIK-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP Cc1ccc(Br)cc1-c1noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n1 ZINC001212142125 851891125 /nfs/dbraw/zinc/89/11/25/851891125.db2.gz CLACPHGBCDRKOK-HNNXBMFYSA-N 2 1 381.318 3.976 20 0 GHADMP CCCn1ccc2cc(NC(=O)N(CC[NH+](C)C)C[C@H]3CCC[N@H+]3CC)ccc21 ZINC000438008922 851925053 /nfs/dbraw/zinc/92/50/53/851925053.db2.gz FNUKACIGARQVLW-OAQYLSRUSA-N 2 1 399.583 3.931 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C/C=C(Cl)Cl ZINC000896875077 862308492 /nfs/dbraw/zinc/30/84/92/862308492.db2.gz VXHNCFBUNAMYPG-HWKANZROSA-N 2 1 388.383 3.516 20 0 GHADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001167981891 852019203 /nfs/dbraw/zinc/01/92/03/852019203.db2.gz ODTMJEYYGNISRF-RAFMOHDBSA-N 2 1 377.573 3.627 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)c1OC ZINC000570359145 852055383 /nfs/dbraw/zinc/05/53/83/852055383.db2.gz ACMNSYMGFUZBDX-QGZVFWFLSA-N 2 1 384.520 3.523 20 0 GHADMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)c1OC ZINC000570359145 852055389 /nfs/dbraw/zinc/05/53/89/852055389.db2.gz ACMNSYMGFUZBDX-QGZVFWFLSA-N 2 1 384.520 3.523 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167982857 852131846 /nfs/dbraw/zinc/13/18/46/852131846.db2.gz CSWBAWKVLVICHS-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167982857 852131853 /nfs/dbraw/zinc/13/18/53/852131853.db2.gz CSWBAWKVLVICHS-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1CCCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167982857 852131857 /nfs/dbraw/zinc/13/18/57/852131857.db2.gz CSWBAWKVLVICHS-GURQWTFNSA-N 2 1 377.573 3.771 20 0 GHADMP CC(C)[C@H]1CN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@H+]1C ZINC000489386362 852270258 /nfs/dbraw/zinc/27/02/58/852270258.db2.gz KEDIZOAINGFQCN-HSZRJFAPSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)[C@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000489386362 852270269 /nfs/dbraw/zinc/27/02/69/852270269.db2.gz KEDIZOAINGFQCN-HSZRJFAPSA-N 2 1 379.548 3.731 20 0 GHADMP CC(C)[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000489386362 852270279 /nfs/dbraw/zinc/27/02/79/852270279.db2.gz KEDIZOAINGFQCN-HSZRJFAPSA-N 2 1 379.548 3.731 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438343010 852291274 /nfs/dbraw/zinc/29/12/74/852291274.db2.gz AKGQXXVALDQSOU-NRFANRHFSA-N 2 1 378.605 3.547 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)c2)cc1 ZINC000516215295 852302005 /nfs/dbraw/zinc/30/20/05/852302005.db2.gz OMRPKTDRLWCOTI-VGOFRKELSA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)[C@@H]3CC[NH+](C)C[C@H]3C)c2)cc1 ZINC000516215295 852302020 /nfs/dbraw/zinc/30/20/20/852302020.db2.gz OMRPKTDRLWCOTI-VGOFRKELSA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000516215295 852302026 /nfs/dbraw/zinc/30/20/26/852302026.db2.gz OMRPKTDRLWCOTI-VGOFRKELSA-N 2 1 381.520 3.720 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[NH+](C)[C@@H]3CC[N@@H+](C)C[C@H]3C)c2)cc1 ZINC000516215295 852302039 /nfs/dbraw/zinc/30/20/39/852302039.db2.gz OMRPKTDRLWCOTI-VGOFRKELSA-N 2 1 381.520 3.720 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cnn(CC(F)F)c3)cc2)CC1 ZINC000292716251 852332948 /nfs/dbraw/zinc/33/29/48/852332948.db2.gz PAHJYJARJCEIOK-UHFFFAOYSA-N 2 1 377.483 3.538 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506927601 852346472 /nfs/dbraw/zinc/34/64/72/852346472.db2.gz AJOCPKSRSGARGN-YADHBBJMSA-N 2 1 392.632 3.795 20 0 GHADMP C[C@@H](Nc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268738 852365849 /nfs/dbraw/zinc/36/58/49/852365849.db2.gz QZTNJPWUUCPVKE-QPPBQGQZSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H](Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516268738 852365856 /nfs/dbraw/zinc/36/58/56/852365856.db2.gz QZTNJPWUUCPVKE-QPPBQGQZSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@@H](Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516268738 852365860 /nfs/dbraw/zinc/36/58/60/852365860.db2.gz QZTNJPWUUCPVKE-QPPBQGQZSA-N 2 1 392.591 3.757 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000506940008 852370408 /nfs/dbraw/zinc/37/04/08/852370408.db2.gz LMBHELDHXCKXQW-LEWJYISDSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000506940008 852370415 /nfs/dbraw/zinc/37/04/15/852370415.db2.gz LMBHELDHXCKXQW-LEWJYISDSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000506940008 852370420 /nfs/dbraw/zinc/37/04/20/852370420.db2.gz LMBHELDHXCKXQW-LEWJYISDSA-N 2 1 392.632 3.937 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000489857265 852611246 /nfs/dbraw/zinc/61/12/46/852611246.db2.gz QRQCMYFOPSBINV-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000489857265 852611249 /nfs/dbraw/zinc/61/12/49/852611249.db2.gz QRQCMYFOPSBINV-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000489857265 852611253 /nfs/dbraw/zinc/61/12/53/852611253.db2.gz QRQCMYFOPSBINV-NZQKXSOJSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@H+]1CCCC[C@H]1C ZINC000489901801 852635287 /nfs/dbraw/zinc/63/52/87/852635287.db2.gz XUNVOULHCZSKEO-WOJBJXKFSA-N 2 1 386.584 3.555 20 0 GHADMP COc1ccc(Oc2ccc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cc2)cc1 ZINC000518009191 852727411 /nfs/dbraw/zinc/72/74/11/852727411.db2.gz BAKMDTLCEZRYFG-UHFFFAOYSA-N 2 1 383.536 3.557 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000516579427 852747115 /nfs/dbraw/zinc/74/71/15/852747115.db2.gz WTEPHPLWEFAVIC-UGKGYDQZSA-N 2 1 386.584 3.585 20 0 GHADMP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414945849 852790695 /nfs/dbraw/zinc/79/06/95/852790695.db2.gz SIUJKIUJDFULCX-KDOFPFPSSA-N 2 1 391.357 3.846 20 0 GHADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1O ZINC000426173696 852925283 /nfs/dbraw/zinc/92/52/83/852925283.db2.gz IRNQYCQVHABJDB-DENIHFKCSA-N 2 1 382.548 3.876 20 0 GHADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000516765505 852975425 /nfs/dbraw/zinc/97/54/25/852975425.db2.gz IUMDQMRJGRKIBX-AUSIDOKSSA-N 2 1 379.548 3.838 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000516765505 852975432 /nfs/dbraw/zinc/97/54/32/852975432.db2.gz IUMDQMRJGRKIBX-AUSIDOKSSA-N 2 1 379.548 3.838 20 0 GHADMP Cc1ccc(F)cc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000490372863 852987055 /nfs/dbraw/zinc/98/70/55/852987055.db2.gz SDUKXUJADFOELX-UHFFFAOYSA-N 2 1 397.538 3.594 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CCC5(C4)CC[NH2+]CC5)cc3)nc12 ZINC000262072905 853181074 /nfs/dbraw/zinc/18/10/74/853181074.db2.gz SFKYEOWEJGARBQ-UHFFFAOYSA-N 2 1 390.531 3.797 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000518407007 853308407 /nfs/dbraw/zinc/30/84/07/853308407.db2.gz UVCFPQYVJFCGIS-ZPMCFJSWSA-N 2 1 398.526 3.563 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536262614 853338829 /nfs/dbraw/zinc/33/88/29/853338829.db2.gz GVRSTKAAMAJEMT-VABKMULXSA-N 2 1 377.532 3.603 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536262614 853338836 /nfs/dbraw/zinc/33/88/36/853338836.db2.gz GVRSTKAAMAJEMT-VABKMULXSA-N 2 1 377.532 3.603 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536262614 853338844 /nfs/dbraw/zinc/33/88/44/853338844.db2.gz GVRSTKAAMAJEMT-VABKMULXSA-N 2 1 377.532 3.603 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000536262614 853338853 /nfs/dbraw/zinc/33/88/53/853338853.db2.gz GVRSTKAAMAJEMT-VABKMULXSA-N 2 1 377.532 3.603 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2C)[C@@H](C)C1 ZINC000439143980 853339397 /nfs/dbraw/zinc/33/93/97/853339397.db2.gz WCJYHRBSAOCXHC-QFBILLFUSA-N 2 1 383.374 3.984 20 0 GHADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ncc(C(F)(F)F)cc1Cl ZINC000925023107 853391885 /nfs/dbraw/zinc/39/18/85/853391885.db2.gz KWOQYSRQEOVNMU-OCCSQVGLSA-N 2 1 379.854 3.641 20 0 GHADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1=O ZINC000426303339 853395491 /nfs/dbraw/zinc/39/54/91/853395491.db2.gz MKUSBTFYHTUQIP-YMPZKCBVSA-N 2 1 387.527 3.539 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H](NC4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964221 853457438 /nfs/dbraw/zinc/45/74/38/853457438.db2.gz NWIZCWPQVVXWMY-GAYHPWFNSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964221 853457444 /nfs/dbraw/zinc/45/74/44/853457444.db2.gz NWIZCWPQVVXWMY-GAYHPWFNSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964221 853457450 /nfs/dbraw/zinc/45/74/50/853457450.db2.gz NWIZCWPQVVXWMY-GAYHPWFNSA-N 2 1 379.592 3.892 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964221 853457455 /nfs/dbraw/zinc/45/74/55/853457455.db2.gz NWIZCWPQVVXWMY-GAYHPWFNSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964221 853457462 /nfs/dbraw/zinc/45/74/62/853457462.db2.gz NWIZCWPQVVXWMY-GAYHPWFNSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964221 853457469 /nfs/dbraw/zinc/45/74/69/853457469.db2.gz NWIZCWPQVVXWMY-GAYHPWFNSA-N 3 1 379.592 3.892 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)[C@@H]3C2)cc1 ZINC001167964221 853457477 /nfs/dbraw/zinc/45/74/77/853457477.db2.gz NWIZCWPQVVXWMY-GAYHPWFNSA-N 3 1 379.592 3.892 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000518528454 853475254 /nfs/dbraw/zinc/47/52/54/853475254.db2.gz CDLWETQIJDNRLH-KRWDZBQOSA-N 2 1 394.991 3.582 20 0 GHADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000437755857 853495873 /nfs/dbraw/zinc/49/58/73/853495873.db2.gz FKZVLPWYQPLZHS-HXUWFJFHSA-N 2 1 396.531 3.874 20 0 GHADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCc2ccc(C(=O)OC)cc2)C1 ZINC000437755857 853495879 /nfs/dbraw/zinc/49/58/79/853495879.db2.gz FKZVLPWYQPLZHS-HXUWFJFHSA-N 2 1 396.531 3.874 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC=C(c3ccncc3)C2)CC1 ZINC000519851814 853545208 /nfs/dbraw/zinc/54/52/08/853545208.db2.gz SFDMBZMSQSKQNQ-UHFFFAOYSA-N 2 1 376.548 3.903 20 0 GHADMP CC(C)(C)OC(=O)N1CCC2(CCC[N@H+]2C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168377671 853644306 /nfs/dbraw/zinc/64/43/06/853644306.db2.gz GASVRIUHRKGWLA-UHFFFAOYSA-N 2 1 377.573 3.726 20 0 GHADMP COc1cccc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)c1Br ZINC001212144701 853644862 /nfs/dbraw/zinc/64/48/62/853644862.db2.gz AYECLBBGDAHTDQ-ZDUSSCGKSA-N 2 1 397.317 3.676 20 0 GHADMP CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415997631 853670935 /nfs/dbraw/zinc/67/09/35/853670935.db2.gz QBSKTGKDTVOBEU-VGSWGCGISA-N 2 1 378.520 3.979 20 0 GHADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]3CCO[C@H](C)C3)c1)C2 ZINC000425935573 853702795 /nfs/dbraw/zinc/70/27/95/853702795.db2.gz JBCXUADUVQRKAW-XMSQKQJNSA-N 2 1 380.532 3.563 20 0 GHADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1cccc(C[N@H+]3CCO[C@H](C)C3)c1)C2 ZINC000425935573 853702800 /nfs/dbraw/zinc/70/28/00/853702800.db2.gz JBCXUADUVQRKAW-XMSQKQJNSA-N 2 1 380.532 3.563 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000760658794 853707485 /nfs/dbraw/zinc/70/74/85/853707485.db2.gz VWSOOHGXFRRWKB-UHFFFAOYSA-N 2 1 387.568 3.672 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000760658794 853707489 /nfs/dbraw/zinc/70/74/89/853707489.db2.gz VWSOOHGXFRRWKB-UHFFFAOYSA-N 2 1 387.568 3.672 20 0 GHADMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000517381352 853709982 /nfs/dbraw/zinc/70/99/82/853709982.db2.gz JFJNDTNFVIKVSJ-UHFFFAOYSA-N 2 1 397.519 3.508 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2)c2cccs2)CC1 ZINC000518747543 853724639 /nfs/dbraw/zinc/72/46/39/853724639.db2.gz JQRIZSLBERCHSX-KRWDZBQOSA-N 2 1 383.483 3.845 20 0 GHADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000416196773 853770924 /nfs/dbraw/zinc/77/09/24/853770924.db2.gz KGUQEGDSYRYCJQ-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)n1 ZINC000571164833 853776023 /nfs/dbraw/zinc/77/60/23/853776023.db2.gz DSAGUMVPHFJEMT-IRXDYDNUSA-N 2 1 378.442 3.713 20 0 GHADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)c(Br)cc1F ZINC000623891164 862505065 /nfs/dbraw/zinc/50/50/65/862505065.db2.gz GCFBNZAXNBJKIB-QWHCGFSZSA-N 2 1 391.300 3.615 20 0 GHADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)C2 ZINC000571376235 853857653 /nfs/dbraw/zinc/85/76/53/853857653.db2.gz XMZBPNOCYWYLHL-NEUULRRLSA-N 2 1 376.548 3.675 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@H](c2cccnc2)C2CCC2)[C@@H](c2ccccc2)C1 ZINC000481918013 862515570 /nfs/dbraw/zinc/51/55/70/862515570.db2.gz QFNPJENCVDYDRL-RPWUZVMVSA-N 2 1 378.564 3.891 20 0 GHADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000073895200 853963503 /nfs/dbraw/zinc/96/35/03/853963503.db2.gz VDFDNVPVEMIVMV-OAHLLOKOSA-N 2 1 375.340 3.538 20 0 GHADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000073895200 853963508 /nfs/dbraw/zinc/96/35/08/853963508.db2.gz VDFDNVPVEMIVMV-OAHLLOKOSA-N 2 1 375.340 3.538 20 0 GHADMP c1ncn(Cc2ccccc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000520228476 853976041 /nfs/dbraw/zinc/97/60/41/853976041.db2.gz PBRBQPKOCUNMHS-HSZRJFAPSA-N 2 1 387.531 3.613 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000571882062 854173250 /nfs/dbraw/zinc/17/32/50/854173250.db2.gz MZRFQXJQTRGADX-RBUKOAKNSA-N 2 1 392.469 3.772 20 0 GHADMP C[C@H]1CC([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047506 862540574 /nfs/dbraw/zinc/54/05/74/862540574.db2.gz RXAHXAQJFGAXDF-WJNSRDFLSA-N 2 1 395.591 3.903 20 0 GHADMP C[C@H]1CC([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168047506 862540584 /nfs/dbraw/zinc/54/05/84/862540584.db2.gz RXAHXAQJFGAXDF-WJNSRDFLSA-N 2 1 395.591 3.903 20 0 GHADMP O=C1CC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c2ccccc2N1 ZINC001167993210 854350271 /nfs/dbraw/zinc/35/02/71/854350271.db2.gz NAVSAGMMYIZPAI-YOFSQIOKSA-N 2 1 379.548 3.768 20 0 GHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000623970848 862557025 /nfs/dbraw/zinc/55/70/25/862557025.db2.gz BTHWLQQNDQOAED-KGLIPLIRSA-N 2 1 393.881 3.775 20 0 GHADMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000623970848 862557029 /nfs/dbraw/zinc/55/70/29/862557029.db2.gz BTHWLQQNDQOAED-KGLIPLIRSA-N 2 1 393.881 3.775 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000572289999 854454768 /nfs/dbraw/zinc/45/47/68/854454768.db2.gz CEBNPAVBKAUBQO-BGYRXZFFSA-N 2 1 393.575 3.856 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000572495872 854524310 /nfs/dbraw/zinc/52/43/10/854524310.db2.gz LOZFEZPDMHJZLC-AWEZNQCLSA-N 2 1 393.466 3.848 20 0 GHADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c(OCCC)c1 ZINC000765793501 854826238 /nfs/dbraw/zinc/82/62/38/854826238.db2.gz ZAFHRDJTKBMQOC-BJLQDIEVSA-N 2 1 376.541 3.778 20 0 GHADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000572786865 854989082 /nfs/dbraw/zinc/98/90/82/854989082.db2.gz UBIGKTSNRMXEOQ-SSPYTLHUSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000572786865 854989084 /nfs/dbraw/zinc/98/90/84/854989084.db2.gz UBIGKTSNRMXEOQ-SSPYTLHUSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H](NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000572786865 854989089 /nfs/dbraw/zinc/98/90/89/854989089.db2.gz UBIGKTSNRMXEOQ-SSPYTLHUSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000572786865 854989092 /nfs/dbraw/zinc/98/90/92/854989092.db2.gz UBIGKTSNRMXEOQ-SSPYTLHUSA-N 2 1 385.596 3.520 20 0 GHADMP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000572786865 854989094 /nfs/dbraw/zinc/98/90/94/854989094.db2.gz UBIGKTSNRMXEOQ-SSPYTLHUSA-N 2 1 385.596 3.520 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)cn2)cc1 ZINC000189135403 855020033 /nfs/dbraw/zinc/02/00/33/855020033.db2.gz GANUHOFYMQMQNQ-QFIPXVFZSA-N 2 1 392.522 3.725 20 0 GHADMP Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)cn2)cc1 ZINC000189135403 855020041 /nfs/dbraw/zinc/02/00/41/855020041.db2.gz GANUHOFYMQMQNQ-QFIPXVFZSA-N 2 1 392.522 3.725 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168048149 862633596 /nfs/dbraw/zinc/63/35/96/862633596.db2.gz URDJIGBCXIEWRA-RZYYESBJSA-N 2 1 386.580 3.946 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[NH+]([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168048149 862633606 /nfs/dbraw/zinc/63/36/06/862633606.db2.gz URDJIGBCXIEWRA-RZYYESBJSA-N 2 1 386.580 3.946 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[NH+]([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001168048149 862633615 /nfs/dbraw/zinc/63/36/15/862633615.db2.gz URDJIGBCXIEWRA-RZYYESBJSA-N 2 1 386.580 3.946 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000590011795 855226796 /nfs/dbraw/zinc/22/67/96/855226796.db2.gz KTRFSAFRXLBKEL-HSZRJFAPSA-N 2 1 382.548 3.579 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000590155539 855302272 /nfs/dbraw/zinc/30/22/72/855302272.db2.gz MENFFTPJRRCRQM-UHFFFAOYSA-N 2 1 386.584 3.544 20 0 GHADMP CNC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000482064683 862666840 /nfs/dbraw/zinc/66/68/40/862666840.db2.gz BSXMPRYHZLDWEY-KAOXLYBCSA-N 2 1 377.532 3.649 20 0 GHADMP CNC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000482064683 862666845 /nfs/dbraw/zinc/66/68/45/862666845.db2.gz BSXMPRYHZLDWEY-KAOXLYBCSA-N 2 1 377.532 3.649 20 0 GHADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000542689337 855439369 /nfs/dbraw/zinc/43/93/69/855439369.db2.gz YWWCCCWWFMIISP-UHFFFAOYSA-N 2 1 387.465 3.694 20 0 GHADMP O=C1c2ccccc2CN1C1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168001806 855500235 /nfs/dbraw/zinc/50/02/35/855500235.db2.gz HZRVAVHGGLVLCB-CBQGHPETSA-N 2 1 379.548 3.512 20 0 GHADMP CC(C)[C@H](NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)c1ccc(F)cc1 ZINC000590787150 855585862 /nfs/dbraw/zinc/58/58/62/855585862.db2.gz SUOWIVBUWYVQPA-QFIPXVFZSA-N 2 1 377.548 3.691 20 0 GHADMP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000520579786 855701220 /nfs/dbraw/zinc/70/12/20/855701220.db2.gz MZBLNUVNHWDFII-JOCHJYFZSA-N 2 1 386.584 3.687 20 0 GHADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000520613035 855793313 /nfs/dbraw/zinc/79/33/13/855793313.db2.gz NBYFQKFDAZQOQG-JOCHJYFZSA-N 2 1 388.600 3.660 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000057286027 855846681 /nfs/dbraw/zinc/84/66/81/855846681.db2.gz FZIZQBMZQCAWBZ-UHFFFAOYSA-N 2 1 398.595 3.877 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157271682 855933509 /nfs/dbraw/zinc/93/35/09/855933509.db2.gz JUQNXSGIRMRRLI-IRXDYDNUSA-N 2 1 387.351 3.683 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157271682 855933515 /nfs/dbraw/zinc/93/35/15/855933515.db2.gz JUQNXSGIRMRRLI-IRXDYDNUSA-N 2 1 387.351 3.683 20 0 GHADMP CCC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591421494 855969229 /nfs/dbraw/zinc/96/92/29/855969229.db2.gz IGIRIFWBYXOGQB-LJQANCHMSA-N 2 1 387.568 3.544 20 0 GHADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000591452165 855995533 /nfs/dbraw/zinc/99/55/33/855995533.db2.gz XLOAUHRRDLOXGP-VQTJNVASSA-N 2 1 387.568 3.542 20 0 GHADMP CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000482148783 862744713 /nfs/dbraw/zinc/74/47/13/862744713.db2.gz HJHYKEOXRCYATH-OTWHNJEPSA-N 2 1 375.557 3.903 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000171211967 856036446 /nfs/dbraw/zinc/03/64/46/856036446.db2.gz FYSXOUQEASVIKX-IBGZPJMESA-N 2 1 397.567 3.703 20 0 GHADMP COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000591473492 856040433 /nfs/dbraw/zinc/04/04/33/856040433.db2.gz ZBAXAJNTFPJMNT-QFIPXVFZSA-N 2 1 396.531 3.549 20 0 GHADMP C[C@@H](Nc1cccc(CN2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715166 856048834 /nfs/dbraw/zinc/04/88/34/856048834.db2.gz WYRWHXNUDFVHNV-NFBKMPQASA-N 2 1 379.548 3.841 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508715166 856048848 /nfs/dbraw/zinc/04/88/48/856048848.db2.gz WYRWHXNUDFVHNV-NFBKMPQASA-N 2 1 379.548 3.841 20 0 GHADMP C[C@@H](Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508715166 856048855 /nfs/dbraw/zinc/04/88/55/856048855.db2.gz WYRWHXNUDFVHNV-NFBKMPQASA-N 2 1 379.548 3.841 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000482156872 862751586 /nfs/dbraw/zinc/75/15/86/862751586.db2.gz JOTIHCDZHQGSCH-QIJZPMMNSA-N 2 1 387.568 3.505 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000520703810 856073884 /nfs/dbraw/zinc/07/38/84/856073884.db2.gz UYRQHMUGLLCVBD-KNQAVFIVSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000520703810 856073893 /nfs/dbraw/zinc/07/38/93/856073893.db2.gz UYRQHMUGLLCVBD-KNQAVFIVSA-N 2 1 398.595 3.877 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000520703810 856073905 /nfs/dbraw/zinc/07/39/05/856073905.db2.gz UYRQHMUGLLCVBD-KNQAVFIVSA-N 2 1 398.595 3.877 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cn(C)nc3C3CCCC3)CC2)oc1C ZINC000921732741 856097079 /nfs/dbraw/zinc/09/70/79/856097079.db2.gz VRBCEALLVRXKGR-UHFFFAOYSA-N 2 1 385.556 3.684 20 0 GHADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000542846528 856117113 /nfs/dbraw/zinc/11/71/13/856117113.db2.gz MINVASSMBOMFAD-IEXUWNMDSA-N 2 1 380.532 3.511 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000482143886 862760128 /nfs/dbraw/zinc/76/01/28/862760128.db2.gz PJTFAONNSJQKAN-ZIFCJYIRSA-N 2 1 391.556 3.521 20 0 GHADMP Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000465826728 856154508 /nfs/dbraw/zinc/15/45/08/856154508.db2.gz QJGLMAWRHCGZNA-YADHBBJMSA-N 2 1 386.584 3.648 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)[C@H]1c1cccs1 ZINC000905132305 856180495 /nfs/dbraw/zinc/18/04/95/856180495.db2.gz MCMBGRFRGUTSRQ-URVUXULASA-N 2 1 388.577 3.688 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)[C@H]1c1cccs1 ZINC000905132305 856180500 /nfs/dbraw/zinc/18/05/00/856180500.db2.gz MCMBGRFRGUTSRQ-URVUXULASA-N 2 1 388.577 3.688 20 0 GHADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000700809965 856196879 /nfs/dbraw/zinc/19/68/79/856196879.db2.gz XNYXLKOAWSUSDL-UAFMIMERSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485237406 856269287 /nfs/dbraw/zinc/26/92/87/856269287.db2.gz ZHGBKVNZUZGIQI-ISHFTEKXSA-N 2 1 391.559 3.853 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485237406 856269297 /nfs/dbraw/zinc/26/92/97/856269297.db2.gz ZHGBKVNZUZGIQI-ISHFTEKXSA-N 2 1 391.559 3.853 20 0 GHADMP COC1(c2ccccc2)C[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000485295334 856324376 /nfs/dbraw/zinc/32/43/76/856324376.db2.gz XKHSWOFHEGAQQF-UHFFFAOYSA-N 2 1 379.548 3.575 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC2)cc1 ZINC000485329792 856371033 /nfs/dbraw/zinc/37/10/33/856371033.db2.gz JNVJHAGQJJRVMB-DNQXCXABSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC2)cc1 ZINC000485329792 856371038 /nfs/dbraw/zinc/37/10/38/856371038.db2.gz JNVJHAGQJJRVMB-DNQXCXABSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC2)cc1 ZINC000485329792 856371061 /nfs/dbraw/zinc/37/10/61/856371061.db2.gz JNVJHAGQJJRVMB-DNQXCXABSA-N 2 1 397.607 3.582 20 0 GHADMP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC2)cc1 ZINC000485329792 856371079 /nfs/dbraw/zinc/37/10/79/856371079.db2.gz JNVJHAGQJJRVMB-DNQXCXABSA-N 2 1 397.607 3.582 20 0 GHADMP CCCCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000568917668 856394167 /nfs/dbraw/zinc/39/41/67/856394167.db2.gz AZVCKZYYBIVUDO-AIZNXBIQSA-N 2 1 385.596 3.998 20 0 GHADMP CCCCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000568917668 856394184 /nfs/dbraw/zinc/39/41/84/856394184.db2.gz AZVCKZYYBIVUDO-AIZNXBIQSA-N 2 1 385.596 3.998 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185671629 856404978 /nfs/dbraw/zinc/40/49/78/856404978.db2.gz GJKPXTDQJBMNFZ-PMPSAXMXSA-N 2 1 386.565 3.866 20 0 GHADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185671629 856404982 /nfs/dbraw/zinc/40/49/82/856404982.db2.gz GJKPXTDQJBMNFZ-PMPSAXMXSA-N 2 1 386.565 3.866 20 0 GHADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1Cl ZINC000195442411 856419856 /nfs/dbraw/zinc/41/98/56/856419856.db2.gz KRLFQIIZJWZPDJ-FQEVSTJZSA-N 2 1 385.939 3.636 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H](c3nccn3C)C3CC3)cc2)C[C@H]1C ZINC000485440494 856538476 /nfs/dbraw/zinc/53/84/76/856538476.db2.gz ANLQNNICXJTUHG-YYDVJCTNSA-N 2 1 396.579 3.670 20 0 GHADMP COc1ccc([C@H]2C[C@@H](N(c3cc(C)[nH+]c(C)n3)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168676470 856590230 /nfs/dbraw/zinc/59/02/30/856590230.db2.gz NHDDXNYERCSHJO-RBBKRZOGSA-N 2 1 396.535 3.581 20 0 GHADMP COC1CC[NH+](C2(C[NH2+]C3CCC(C(=O)OC(C)(C)C)CC3)CCCC2)CC1 ZINC000507949343 856733971 /nfs/dbraw/zinc/73/39/71/856733971.db2.gz GXYJQDMKRAJKST-UHFFFAOYSA-N 2 1 394.600 3.900 20 0 GHADMP O[C@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COCc1ccccc1 ZINC000624319263 856804309 /nfs/dbraw/zinc/80/43/09/856804309.db2.gz HHDUHTVPFJZMPZ-ZFFYZDHPSA-N 2 1 394.559 3.739 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000482250797 862855856 /nfs/dbraw/zinc/85/58/56/862855856.db2.gz UYMISOHBDSDJBN-ROUUACIJSA-N 2 1 379.614 3.681 20 0 GHADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000485790091 857096199 /nfs/dbraw/zinc/09/61/99/857096199.db2.gz RSJXQKGBYQVPJU-IBGZPJMESA-N 2 1 379.548 3.544 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000508310528 857151907 /nfs/dbraw/zinc/15/19/07/857151907.db2.gz ACULHQDRVLNDCO-CQSZACIVSA-N 2 1 382.346 3.630 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625700256 862882041 /nfs/dbraw/zinc/88/20/41/862882041.db2.gz JZWAAHRHFPNFPR-KRWDZBQOSA-N 2 1 380.355 3.982 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625700256 862882061 /nfs/dbraw/zinc/88/20/61/862882061.db2.gz JZWAAHRHFPNFPR-KRWDZBQOSA-N 2 1 380.355 3.982 20 0 GHADMP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001168581805 857217366 /nfs/dbraw/zinc/21/73/66/857217366.db2.gz ZMYLMOKCPOLBAQ-SQGPQFPESA-N 2 1 377.960 3.856 20 0 GHADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001168581805 857217372 /nfs/dbraw/zinc/21/73/72/857217372.db2.gz ZMYLMOKCPOLBAQ-SQGPQFPESA-N 2 1 377.960 3.856 20 0 GHADMP CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000658296132 857273912 /nfs/dbraw/zinc/27/39/12/857273912.db2.gz GNULUIXNSBNECL-LNRXMEIDSA-N 2 1 383.580 3.524 20 0 GHADMP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058879874 857372221 /nfs/dbraw/zinc/37/22/21/857372221.db2.gz NWJRFHSUUDGDOX-QFIPXVFZSA-N 2 1 397.538 3.628 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCC[NH+]2CCCC)CC1 ZINC000520909510 857379133 /nfs/dbraw/zinc/37/91/33/857379133.db2.gz RGTSNLKGPMQWBT-OAQYLSRUSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000520909510 857379139 /nfs/dbraw/zinc/37/91/39/857379139.db2.gz RGTSNLKGPMQWBT-OAQYLSRUSA-N 2 1 380.621 3.795 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000520909510 857379141 /nfs/dbraw/zinc/37/91/41/857379141.db2.gz RGTSNLKGPMQWBT-OAQYLSRUSA-N 2 1 380.621 3.795 20 0 GHADMP C[N@@H+](CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCCCC1 ZINC000061070521 857495851 /nfs/dbraw/zinc/49/58/51/857495851.db2.gz IWBYEKJUKNLEBU-FQEVSTJZSA-N 2 1 390.572 3.760 20 0 GHADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000521069080 857559194 /nfs/dbraw/zinc/55/91/94/857559194.db2.gz ZXQDPVBGZZSEMW-MSOLQXFVSA-N 2 1 394.991 3.534 20 0 GHADMP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c(F)c1 ZINC000155431666 857595087 /nfs/dbraw/zinc/59/50/87/857595087.db2.gz YKAFCEBXANHZOT-OAQYLSRUSA-N 2 1 385.502 3.840 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786948 857613200 /nfs/dbraw/zinc/61/32/00/857613200.db2.gz MMLDPXBKTBWNPS-XWGVYQGASA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786948 857613204 /nfs/dbraw/zinc/61/32/04/857613204.db2.gz MMLDPXBKTBWNPS-XWGVYQGASA-N 2 1 387.612 3.625 20 0 GHADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000675786948 857613207 /nfs/dbraw/zinc/61/32/07/857613207.db2.gz MMLDPXBKTBWNPS-XWGVYQGASA-N 2 1 387.612 3.625 20 0 GHADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486390775 857702131 /nfs/dbraw/zinc/70/21/31/857702131.db2.gz WFFQHYJGXFRUHI-REWPJTCUSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486390775 857702143 /nfs/dbraw/zinc/70/21/43/857702143.db2.gz WFFQHYJGXFRUHI-REWPJTCUSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486390775 857702151 /nfs/dbraw/zinc/70/21/51/857702151.db2.gz WFFQHYJGXFRUHI-REWPJTCUSA-N 2 1 381.564 3.627 20 0 GHADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000676221010 857784889 /nfs/dbraw/zinc/78/48/89/857784889.db2.gz FQIQOJUROIXVJJ-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000676221010 857784896 /nfs/dbraw/zinc/78/48/96/857784896.db2.gz FQIQOJUROIXVJJ-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccncc2Cl)CC1 ZINC000181639039 862951937 /nfs/dbraw/zinc/95/19/37/862951937.db2.gz QMJVXVSCDXOKJI-HNNXBMFYSA-N 2 1 376.907 3.867 20 0 GHADMP C[C@@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000466025125 857880414 /nfs/dbraw/zinc/88/04/14/857880414.db2.gz GFEKUJACAZTITJ-CTNGQTDRSA-N 2 1 388.600 3.659 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000574445150 857886186 /nfs/dbraw/zinc/88/61/86/857886186.db2.gz RPXHBSRWSDHYBN-KNKQGSTJSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(C)c1 ZINC000574445150 857886194 /nfs/dbraw/zinc/88/61/94/857886194.db2.gz RPXHBSRWSDHYBN-KNKQGSTJSA-N 2 1 388.577 3.777 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000669524985 858026693 /nfs/dbraw/zinc/02/66/93/858026693.db2.gz ZULMYFURKWWZPB-DZFGPLHGSA-N 2 1 395.551 3.663 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccsc1 ZINC000067708890 858061172 /nfs/dbraw/zinc/06/11/72/858061172.db2.gz OSGYBXACEGGNQW-YLJYHZDGSA-N 2 1 389.540 3.518 20 0 GHADMP CCOc1cc2[nH+]ccc(N3CC[NH+](Cc4ccncc4)CC3)c2cc1OCC ZINC000521532943 858080527 /nfs/dbraw/zinc/08/05/27/858080527.db2.gz AWDVVVNBDPLSOX-UHFFFAOYSA-N 2 1 392.503 3.749 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000442778696 858118711 /nfs/dbraw/zinc/11/87/11/858118711.db2.gz HLVSKPZBYFDEJC-AZUAARDMSA-N 2 1 383.502 3.959 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000521585551 858130905 /nfs/dbraw/zinc/13/09/05/858130905.db2.gz PUWCGOCNPYPRCK-OAHLLOKOSA-N 2 1 375.476 3.709 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000594495630 858191202 /nfs/dbraw/zinc/19/12/02/858191202.db2.gz RKEUTNSFUKWBAH-BULFRSBZSA-N 2 1 388.552 3.577 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1(C)C ZINC000442878306 858198814 /nfs/dbraw/zinc/19/88/14/858198814.db2.gz SRNKEPZITGGXDA-INIZCTEOSA-N 2 1 386.367 3.823 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1(C)C ZINC000442879548 858200540 /nfs/dbraw/zinc/20/05/40/858200540.db2.gz WPONYTWXECPSCF-MRXNPFEDSA-N 2 1 386.403 3.577 20 0 GHADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282333991 858244025 /nfs/dbraw/zinc/24/40/25/858244025.db2.gz FZJRXOZDSDMJPT-XKCSPQBFSA-N 2 1 392.547 3.793 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000181768762 863006404 /nfs/dbraw/zinc/00/64/04/863006404.db2.gz DBEDDKWAMAIAJV-DOMZBBRYSA-N 2 1 379.854 3.843 20 0 GHADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H]1C ZINC000594999272 858361495 /nfs/dbraw/zinc/36/14/95/858361495.db2.gz BUTCAGFBDRAJQE-UVUJQTEASA-N 2 1 384.564 3.856 20 0 GHADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000574917374 858393826 /nfs/dbraw/zinc/39/38/26/858393826.db2.gz UOEFJILRBHMOEY-HTUUBCJYSA-N 2 1 379.548 3.727 20 0 GHADMP c1[nH+]cn2ccc(-c3noc([C@@]45CCC[C@@H]4C[N@H+](Cc4ccccc4)C5)n3)cc12 ZINC000521941414 858472137 /nfs/dbraw/zinc/47/21/37/858472137.db2.gz OULPLRFPQZPFPI-AUSIDOKSSA-N 2 1 385.471 3.938 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(OCc2cccnc2)c1 ZINC000574962927 858475397 /nfs/dbraw/zinc/47/53/97/858475397.db2.gz YBAHPPLLMZYZOT-NRFANRHFSA-N 2 1 395.547 3.833 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469767754 858489176 /nfs/dbraw/zinc/48/91/76/858489176.db2.gz GCVDQNPSPDRLIV-GOEBONIOSA-N 2 1 380.401 3.701 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)(F)F ZINC000469767754 858489180 /nfs/dbraw/zinc/48/91/80/858489180.db2.gz GCVDQNPSPDRLIV-GOEBONIOSA-N 2 1 380.401 3.701 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)CC1 ZINC000543139427 858578493 /nfs/dbraw/zinc/57/84/93/858578493.db2.gz CCEPAQGZOIBEQH-LJQANCHMSA-N 2 1 399.501 3.546 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000522102271 858628310 /nfs/dbraw/zinc/62/83/10/858628310.db2.gz CCPVTCFWDGDFOM-IBGZPJMESA-N 2 1 380.621 3.649 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000522102271 858628312 /nfs/dbraw/zinc/62/83/12/858628312.db2.gz CCPVTCFWDGDFOM-IBGZPJMESA-N 2 1 380.621 3.649 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000522102271 858628316 /nfs/dbraw/zinc/62/83/16/858628316.db2.gz CCPVTCFWDGDFOM-IBGZPJMESA-N 2 1 380.621 3.649 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cc2c(s1)CCC2 ZINC000482635827 858723656 /nfs/dbraw/zinc/72/36/56/858723656.db2.gz URNFEPTXWPDZMO-OXJNMPFZSA-N 2 1 397.588 3.785 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000783514048 858770137 /nfs/dbraw/zinc/77/01/37/858770137.db2.gz PLBAVOVSZMARAD-AABGKKOBSA-N 2 1 397.604 3.503 20 0 GHADMP CCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000668106628 858778882 /nfs/dbraw/zinc/77/88/82/858778882.db2.gz HDDXIAWXYOZVLK-SFHVURJKSA-N 2 1 377.492 3.897 20 0 GHADMP CCOc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183681480 858794708 /nfs/dbraw/zinc/79/47/08/858794708.db2.gz CKQNJPLNCXSZLA-DYESRHJHSA-N 2 1 395.503 3.670 20 0 GHADMP C[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C[N@H+]1Cc1ccccc1 ZINC000499679420 858796951 /nfs/dbraw/zinc/79/69/51/858796951.db2.gz BTLXRRDNJWLVPZ-TZIWHRDSSA-N 2 1 393.579 3.687 20 0 GHADMP CN(C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126943868 858921667 /nfs/dbraw/zinc/92/16/67/858921667.db2.gz IVVUSTBCTKKCPK-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001126943868 858921684 /nfs/dbraw/zinc/92/16/84/858921684.db2.gz IVVUSTBCTKKCPK-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001126943868 858921697 /nfs/dbraw/zinc/92/16/97/858921697.db2.gz IVVUSTBCTKKCPK-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CC1(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184689666 858982061 /nfs/dbraw/zinc/98/20/61/858982061.db2.gz ZMGVIWLMCKICNV-UHFFFAOYSA-N 2 1 397.588 3.525 20 0 GHADMP CC1(C(=O)NCC[N@H+]2CCc3sccc3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000184689666 858982070 /nfs/dbraw/zinc/98/20/70/858982070.db2.gz ZMGVIWLMCKICNV-UHFFFAOYSA-N 2 1 397.588 3.525 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccccc3OCC3CC3)C2)ccn1 ZINC000856552654 881378430 /nfs/dbraw/zinc/37/84/30/881378430.db2.gz FZFFMZFMEIDXRJ-HSZRJFAPSA-N 2 1 395.547 3.975 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3OCC3CC3)C2)ccn1 ZINC000856552654 881378467 /nfs/dbraw/zinc/37/84/67/881378467.db2.gz FZFFMZFMEIDXRJ-HSZRJFAPSA-N 2 1 395.547 3.975 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)C2)ccn1 ZINC000856552654 881378530 /nfs/dbraw/zinc/37/85/30/881378530.db2.gz FZFFMZFMEIDXRJ-HSZRJFAPSA-N 2 1 395.547 3.975 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553064 881383125 /nfs/dbraw/zinc/38/31/25/881383125.db2.gz TXKYIFWBWSFWRW-NQIIRXRSSA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553064 881383146 /nfs/dbraw/zinc/38/31/46/881383146.db2.gz TXKYIFWBWSFWRW-NQIIRXRSSA-N 2 1 381.520 3.553 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)ccn1 ZINC000856553064 881383167 /nfs/dbraw/zinc/38/31/67/881383167.db2.gz TXKYIFWBWSFWRW-NQIIRXRSSA-N 2 1 381.520 3.553 20 0 GHADMP COC(=O)c1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(Cl)c1 ZINC000185667864 859114129 /nfs/dbraw/zinc/11/41/29/859114129.db2.gz KDZDJYAMYFPXPO-DOTOQJQBSA-N 2 1 394.943 3.748 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185708625 859119269 /nfs/dbraw/zinc/11/92/69/859119269.db2.gz CWXHWCNMFUUQBM-GHTZIAJQSA-N 2 1 395.547 3.952 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185708625 859119273 /nfs/dbraw/zinc/11/92/73/859119273.db2.gz CWXHWCNMFUUQBM-GHTZIAJQSA-N 2 1 395.547 3.952 20 0 GHADMP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745472 859125276 /nfs/dbraw/zinc/12/52/76/859125276.db2.gz ZZGBRVZBSDELLZ-NZQKXSOJSA-N 2 1 397.607 3.710 20 0 GHADMP C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745472 859125279 /nfs/dbraw/zinc/12/52/79/859125279.db2.gz ZZGBRVZBSDELLZ-NZQKXSOJSA-N 2 1 397.607 3.710 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc4cccc(OC)c4o3)C2)ccn1 ZINC000856553192 881384701 /nfs/dbraw/zinc/38/47/01/881384701.db2.gz BEZIXCUTCSECGD-HXUWFJFHSA-N 2 1 395.503 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc4cccc(OC)c4o3)C2)ccn1 ZINC000856553192 881384720 /nfs/dbraw/zinc/38/47/20/881384720.db2.gz BEZIXCUTCSECGD-HXUWFJFHSA-N 2 1 395.503 3.941 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc4cccc(OC)c4o3)C2)ccn1 ZINC000856553192 881384738 /nfs/dbraw/zinc/38/47/38/881384738.db2.gz BEZIXCUTCSECGD-HXUWFJFHSA-N 2 1 395.503 3.941 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)[C@@H](C)C1 ZINC000483141719 859178299 /nfs/dbraw/zinc/17/82/99/859178299.db2.gz SUZGWUNLNMYNMM-DWLFOUALSA-N 2 1 377.548 3.521 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000191489774 859182083 /nfs/dbraw/zinc/18/20/83/859182083.db2.gz ACXIAEWOWRPCMK-JOCHJYFZSA-N 2 1 382.552 3.911 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000191489774 859182087 /nfs/dbraw/zinc/18/20/87/859182087.db2.gz ACXIAEWOWRPCMK-JOCHJYFZSA-N 2 1 382.552 3.911 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3CCc3ccccc3)CC2)CC1 ZINC000568193376 859194326 /nfs/dbraw/zinc/19/43/26/859194326.db2.gz HQDKIRPHZAVQLF-DEOSSOPVSA-N 2 1 397.607 3.807 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000191495431 859208361 /nfs/dbraw/zinc/20/83/61/859208361.db2.gz UVUGIVFQODSBKV-GOSISDBHSA-N 2 1 388.581 3.755 20 0 GHADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000191495431 859208366 /nfs/dbraw/zinc/20/83/66/859208366.db2.gz UVUGIVFQODSBKV-GOSISDBHSA-N 2 1 388.581 3.755 20 0 GHADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000483207037 859222231 /nfs/dbraw/zinc/22/22/31/859222231.db2.gz VBLYTAWSXXAAOT-LEWJYISDSA-N 2 1 375.601 3.756 20 0 GHADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000466361636 859224827 /nfs/dbraw/zinc/22/48/27/859224827.db2.gz XDRSWWPUVGJCDJ-UHFFFAOYSA-N 2 1 397.485 3.533 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000645472737 859237772 /nfs/dbraw/zinc/23/77/72/859237772.db2.gz HWSDUIVHBYVESM-QFIPXVFZSA-N 2 1 379.548 3.756 20 0 GHADMP CC(=O)OCc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)o1 ZINC001141782274 859274614 /nfs/dbraw/zinc/27/46/14/859274614.db2.gz XEKWOMCJYJHERD-UHFFFAOYSA-N 2 1 379.460 3.522 20 0 GHADMP Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001168410688 859275547 /nfs/dbraw/zinc/27/55/47/859275547.db2.gz DLFAEVIHIJTVKD-WXFUMESZSA-N 2 1 385.571 3.611 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429415002 859313191 /nfs/dbraw/zinc/31/31/91/859313191.db2.gz ZWHGLKPGRUGHRE-ZODMCCGTSA-N 2 1 399.623 3.910 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000626017051 859347603 /nfs/dbraw/zinc/34/76/03/859347603.db2.gz UXWXBPLYNIOKPX-ZNEWLNCYSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000626017051 859347613 /nfs/dbraw/zinc/34/76/13/859347613.db2.gz UXWXBPLYNIOKPX-ZNEWLNCYSA-N 2 1 391.559 3.501 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000626017051 859347624 /nfs/dbraw/zinc/34/76/24/859347624.db2.gz UXWXBPLYNIOKPX-ZNEWLNCYSA-N 2 1 391.559 3.501 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC001143140957 859374771 /nfs/dbraw/zinc/37/47/71/859374771.db2.gz YCEFLHIGVFNIQX-PWRODBHTSA-N 2 1 385.596 3.850 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccsc2Br)CC1 ZINC000509428495 859414962 /nfs/dbraw/zinc/41/49/62/859414962.db2.gz GHYOSTWFRAQDGW-UHFFFAOYSA-N 2 1 394.382 3.942 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[C@H]1C ZINC000483522531 859433556 /nfs/dbraw/zinc/43/35/56/859433556.db2.gz ZIBRLDLROVRNEF-WOJBJXKFSA-N 2 1 378.605 3.689 20 0 GHADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000626062806 859435782 /nfs/dbraw/zinc/43/57/82/859435782.db2.gz HHAXGCZASSACNL-KRWDZBQOSA-N 2 1 396.535 3.556 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483577862 859462583 /nfs/dbraw/zinc/46/25/83/859462583.db2.gz VHQGEZVWXWTCCS-FCHUYYIVSA-N 2 1 394.563 3.910 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483577862 859462584 /nfs/dbraw/zinc/46/25/84/859462584.db2.gz VHQGEZVWXWTCCS-FCHUYYIVSA-N 2 1 394.563 3.910 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000483595739 859473465 /nfs/dbraw/zinc/47/34/65/859473465.db2.gz UFPHYAUEBABVMH-QHCPKHFHSA-N 2 1 377.532 3.784 20 0 GHADMP Cc1ccnc([C@@H]2CC[NH+](C/C=C/C[N@@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000653749745 859536847 /nfs/dbraw/zinc/53/68/47/859536847.db2.gz YBDBHZIMCPLHPU-NLDFZSAUSA-N 2 1 376.548 3.928 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000895479559 859565441 /nfs/dbraw/zinc/56/54/41/859565441.db2.gz QPHUHBKRTBYNAW-MRXNPFEDSA-N 2 1 394.357 3.619 20 0 GHADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000895479559 859565448 /nfs/dbraw/zinc/56/54/48/859565448.db2.gz QPHUHBKRTBYNAW-MRXNPFEDSA-N 2 1 394.357 3.619 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000483795430 859611300 /nfs/dbraw/zinc/61/13/00/859611300.db2.gz AQKKFISANYNIAB-GOSISDBHSA-N 2 1 378.605 3.593 20 0 GHADMP Cc1nn(-c2ccncc2)cc1CN[C@H](C)c1nc(-c2ccncc2)cs1 ZINC000543415108 859628344 /nfs/dbraw/zinc/62/83/44/859628344.db2.gz WUQOTVHLWFVPRR-OAHLLOKOSA-N 2 1 376.489 3.945 20 0 GHADMP C[NH+](C)CCC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000118001095 859683596 /nfs/dbraw/zinc/68/35/96/859683596.db2.gz YCSGUKJBHZEPQC-HSZRJFAPSA-N 2 1 377.381 3.765 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2OC)[C@H](C)C1 ZINC000765126260 859804542 /nfs/dbraw/zinc/80/45/42/859804542.db2.gz JJDNDEWDPVLHEV-NEWSRXKRSA-N 2 1 391.556 3.581 20 0 GHADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856561803 881468255 /nfs/dbraw/zinc/46/82/55/881468255.db2.gz RSSCMJCFCCIXPT-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856561803 881468262 /nfs/dbraw/zinc/46/82/62/881468262.db2.gz RSSCMJCFCCIXPT-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP COc1ccc(C)cc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856561803 881468272 /nfs/dbraw/zinc/46/82/72/881468272.db2.gz RSSCMJCFCCIXPT-QFIPXVFZSA-N 2 1 383.536 3.892 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000499804612 859854931 /nfs/dbraw/zinc/85/49/31/859854931.db2.gz ZVSJOLKROAHQIQ-WOJBJXKFSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1nc(C)c(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)s1 ZINC000123611178 860015515 /nfs/dbraw/zinc/01/55/15/860015515.db2.gz RJQDSUJWTFIHFZ-UHFFFAOYSA-N 2 1 389.565 3.539 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000115628601 860059904 /nfs/dbraw/zinc/05/99/04/860059904.db2.gz GAWVHUMCEYSQLE-QPPBQGQZSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000115628601 860059917 /nfs/dbraw/zinc/05/99/17/860059917.db2.gz GAWVHUMCEYSQLE-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000115628601 860059931 /nfs/dbraw/zinc/05/99/31/860059931.db2.gz GAWVHUMCEYSQLE-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000115628601 860059944 /nfs/dbraw/zinc/05/99/44/860059944.db2.gz GAWVHUMCEYSQLE-QPPBQGQZSA-N 2 1 387.612 3.899 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccsc1 ZINC000533819458 860239243 /nfs/dbraw/zinc/23/92/43/860239243.db2.gz OIAIBTYYSNPFBC-PMACEKPBSA-N 2 1 386.565 3.617 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccsc1 ZINC000533819458 860239246 /nfs/dbraw/zinc/23/92/46/860239246.db2.gz OIAIBTYYSNPFBC-PMACEKPBSA-N 2 1 386.565 3.617 20 0 GHADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CCNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC000765608115 860323458 /nfs/dbraw/zinc/32/34/58/860323458.db2.gz USOHQSAHGMDYMF-FXAWDEMLSA-N 2 1 375.557 3.574 20 0 GHADMP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c1OC ZINC000673599329 860347523 /nfs/dbraw/zinc/34/75/23/860347523.db2.gz RDFCVMAOBHSJFJ-HDICACEKSA-N 2 1 398.547 3.911 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665434488 860354206 /nfs/dbraw/zinc/35/42/06/860354206.db2.gz FAUBUQWOIILMSM-SFHVURJKSA-N 2 1 390.572 3.649 20 0 GHADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000290213355 860401694 /nfs/dbraw/zinc/40/16/94/860401694.db2.gz HJHAHNDHHKUGBD-GOSISDBHSA-N 2 1 375.513 3.878 20 0 GHADMP CCCCn1nc(C)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1Cl ZINC000904472894 860465709 /nfs/dbraw/zinc/46/57/09/860465709.db2.gz GQOOKIWKZRUFCQ-GHTZIAJQSA-N 2 1 388.943 3.991 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000474615890 860503879 /nfs/dbraw/zinc/50/38/79/860503879.db2.gz LKGJEKIOBANXDI-FBHNJWQJSA-N 2 1 388.552 3.509 20 0 GHADMP CCOC(=O)C1(C)CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000474615890 860503887 /nfs/dbraw/zinc/50/38/87/860503887.db2.gz LKGJEKIOBANXDI-FBHNJWQJSA-N 2 1 388.552 3.509 20 0 GHADMP C[N@H+]1CCCN(c2ccc(-c3noc([C@@H]4CCC[C@H]([NH3+])C4)n3)cc2Cl)CC1 ZINC000904670745 860560000 /nfs/dbraw/zinc/56/00/00/860560000.db2.gz CJYSPPPMDYTWGP-CVEARBPZSA-N 2 1 389.931 3.517 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000765749384 860566501 /nfs/dbraw/zinc/56/65/01/860566501.db2.gz MKGJEUXRMPKBFW-ICSRJNTNSA-N 2 1 375.557 3.744 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000765749384 860566505 /nfs/dbraw/zinc/56/65/05/860566505.db2.gz MKGJEUXRMPKBFW-ICSRJNTNSA-N 2 1 375.557 3.744 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)Cc3ccc(C)cc3C)CC2)CC1 ZINC000654761762 860568983 /nfs/dbraw/zinc/56/89/83/860568983.db2.gz JFQNLGRFMOAJBU-HXUWFJFHSA-N 2 1 385.596 3.547 20 0 GHADMP Brc1cc(Br)cc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000232487152 885450063 /nfs/dbraw/zinc/45/00/63/885450063.db2.gz FJLUILZDLISUMI-UHFFFAOYSA-N 2 1 376.136 3.787 20 0 GHADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000522469764 860720930 /nfs/dbraw/zinc/72/09/30/860720930.db2.gz OPDTYBSWSHYLCA-YKSBVNFPSA-N 2 1 391.559 3.777 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494321212 881576484 /nfs/dbraw/zinc/57/64/84/881576484.db2.gz WKFQVVKEUJJICM-RTWAWAEBSA-N 2 1 393.522 3.725 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000494321212 881576497 /nfs/dbraw/zinc/57/64/97/881576497.db2.gz WKFQVVKEUJJICM-RTWAWAEBSA-N 2 1 393.522 3.725 20 0 GHADMP CO[C@@H](C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604356 881580177 /nfs/dbraw/zinc/58/01/77/881580177.db2.gz NEMPDZYMDXOOML-PKTZIBPZSA-N 2 1 383.536 3.763 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604356 881580207 /nfs/dbraw/zinc/58/02/07/881580207.db2.gz NEMPDZYMDXOOML-PKTZIBPZSA-N 2 1 383.536 3.763 20 0 GHADMP CO[C@@H](C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1)c1ccccc1 ZINC000856604356 881580227 /nfs/dbraw/zinc/58/02/27/881580227.db2.gz NEMPDZYMDXOOML-PKTZIBPZSA-N 2 1 383.536 3.763 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@H]3CCCC[NH+]3C(C)C)C2)ccn1 ZINC000856604866 881582404 /nfs/dbraw/zinc/58/24/04/881582404.db2.gz SRRRTHWXTYDXCP-GGAORHGYSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)C2)ccn1 ZINC000856604866 881582410 /nfs/dbraw/zinc/58/24/10/881582410.db2.gz SRRRTHWXTYDXCP-GGAORHGYSA-N 2 1 388.600 3.638 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CCN(C[C@H]3CCCC[N@H+]3C(C)C)C2)ccn1 ZINC000856604866 881582414 /nfs/dbraw/zinc/58/24/14/881582414.db2.gz SRRRTHWXTYDXCP-GGAORHGYSA-N 2 1 388.600 3.638 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000474823994 860856328 /nfs/dbraw/zinc/85/63/28/860856328.db2.gz XSLBCYPNSRUQMG-CKEIUWERSA-N 2 1 386.321 3.685 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000474823994 860856340 /nfs/dbraw/zinc/85/63/40/860856340.db2.gz XSLBCYPNSRUQMG-CKEIUWERSA-N 2 1 386.321 3.685 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000499199462 881593056 /nfs/dbraw/zinc/59/30/56/881593056.db2.gz ZJOXSHWTRVGSKM-JYAXBFRTSA-N 2 1 398.551 3.671 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000170903117 860958623 /nfs/dbraw/zinc/95/86/23/860958623.db2.gz ZJUUAJIRBFKXHW-UHFFFAOYSA-N 2 1 395.320 3.683 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673646069 860998152 /nfs/dbraw/zinc/99/81/52/860998152.db2.gz YUZSGRUEPWONAD-QHCPKHFHSA-N 2 1 392.547 3.713 20 0 GHADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673646069 860998168 /nfs/dbraw/zinc/99/81/68/860998168.db2.gz YUZSGRUEPWONAD-QHCPKHFHSA-N 2 1 392.547 3.713 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H](C)C1 ZINC000481318271 861025981 /nfs/dbraw/zinc/02/59/81/861025981.db2.gz GHLXWQRZVWXHFJ-CVDCTZTESA-N 2 1 391.575 3.517 20 0 GHADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(OCc2cccnc2)c1 ZINC000443982318 863087413 /nfs/dbraw/zinc/08/74/13/863087413.db2.gz PTNUKZGZAXYELO-IBGZPJMESA-N 2 1 383.536 3.881 20 0 GHADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182238998 863160605 /nfs/dbraw/zinc/16/06/05/863160605.db2.gz HKOXPFXLQNOXOX-FYYLOGMGSA-N 2 1 380.532 3.955 20 0 GHADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734881 863165055 /nfs/dbraw/zinc/16/50/55/863165055.db2.gz IYUAZTAZQLDYAC-QFBILLFUSA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734881 863165064 /nfs/dbraw/zinc/16/50/64/863165064.db2.gz IYUAZTAZQLDYAC-QFBILLFUSA-N 2 1 385.474 3.545 20 0 GHADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522734881 863165074 /nfs/dbraw/zinc/16/50/74/863165074.db2.gz IYUAZTAZQLDYAC-QFBILLFUSA-N 2 1 385.474 3.545 20 0 GHADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2F)s1 ZINC000482554622 863320883 /nfs/dbraw/zinc/32/08/83/863320883.db2.gz PHEXCTBBZTWLHX-HZPDHXFCSA-N 2 1 389.540 3.792 20 0 GHADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482566809 863323385 /nfs/dbraw/zinc/32/33/85/863323385.db2.gz RUMCEJARUHRZLF-FUHWJXTLSA-N 2 1 385.474 3.724 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc1 ZINC000120643994 881650022 /nfs/dbraw/zinc/65/00/22/881650022.db2.gz KWJGUGQOASUEMW-NTKDMRAZSA-N 2 1 390.531 3.905 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000074299775 881652735 /nfs/dbraw/zinc/65/27/35/881652735.db2.gz MIWGFDFUUCSUFX-DENIHFKCSA-N 2 1 386.584 3.728 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCc2cccs2)cc1 ZINC000183142238 863484354 /nfs/dbraw/zinc/48/43/54/863484354.db2.gz LYUHRTHPHFQFDM-HOTGVXAUSA-N 2 1 382.533 3.640 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000606640336 863742500 /nfs/dbraw/zinc/74/25/00/863742500.db2.gz SXOQTMWFBMYUIR-HXUWFJFHSA-N 2 1 380.621 3.652 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000158698724 863919614 /nfs/dbraw/zinc/91/96/14/863919614.db2.gz YTYHGTMVIQJEGZ-CVDCTZTESA-N 2 1 395.547 3.914 20 0 GHADMP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606901454 863925319 /nfs/dbraw/zinc/92/53/19/863925319.db2.gz QGRBPQODJLUBPD-NHCUHLMSSA-N 2 1 396.531 3.636 20 0 GHADMP O[C@@H](COc1ccc(Oc2ccccc2)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606901454 863925334 /nfs/dbraw/zinc/92/53/34/863925334.db2.gz QGRBPQODJLUBPD-NHCUHLMSSA-N 2 1 396.531 3.636 20 0 GHADMP C[N@@H+](Cc1ccc2nc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)sc2c1)C1CC1 ZINC000667610659 863934743 /nfs/dbraw/zinc/93/47/43/863934743.db2.gz MKNCSOWJRKDBNO-KRWDZBQOSA-N 2 1 399.564 3.593 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000159208003 864066757 /nfs/dbraw/zinc/06/67/57/864066757.db2.gz OBHUHLZLVAESFJ-UHFFFAOYSA-N 2 1 390.531 3.761 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000159208003 864066771 /nfs/dbraw/zinc/06/67/71/864066771.db2.gz OBHUHLZLVAESFJ-UHFFFAOYSA-N 2 1 390.531 3.761 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000898518676 864078891 /nfs/dbraw/zinc/07/88/91/864078891.db2.gz JCGDYKWNPHCQSE-IVDHNXQLSA-N 2 1 382.470 3.987 20 0 GHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000607167744 864128896 /nfs/dbraw/zinc/12/88/96/864128896.db2.gz JZAYGCHZKFNMAT-VWNXMTODSA-N 2 1 382.548 3.838 20 0 GHADMP CCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000607167744 864128904 /nfs/dbraw/zinc/12/89/04/864128904.db2.gz JZAYGCHZKFNMAT-VWNXMTODSA-N 2 1 382.548 3.838 20 0 GHADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)[C@@H]1Oc1ccccc1 ZINC000480205545 864259313 /nfs/dbraw/zinc/25/93/13/864259313.db2.gz WHVJQKSNXBOZCV-XPNTWCBSSA-N 2 1 381.520 3.573 20 0 GHADMP C[C@@H]1C[C@@H](N2CCC[C@@H](NC(=O)C3CCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056574 864287961 /nfs/dbraw/zinc/28/79/61/864287961.db2.gz GEYZNQSRKLYDPB-IYRWYFENSA-N 2 1 383.580 3.809 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](NC(=O)C3CCC3)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056574 864287975 /nfs/dbraw/zinc/28/79/75/864287975.db2.gz GEYZNQSRKLYDPB-IYRWYFENSA-N 2 1 383.580 3.809 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC[C@@H](NC(=O)C3CCC3)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056574 864287992 /nfs/dbraw/zinc/28/79/92/864287992.db2.gz GEYZNQSRKLYDPB-IYRWYFENSA-N 2 1 383.580 3.809 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000480230111 864311395 /nfs/dbraw/zinc/31/13/95/864311395.db2.gz QZEBGQDDBOJJSN-NQHRYMMQSA-N 2 1 393.575 3.560 20 0 GHADMP COc1cccc(O[C@H]2CC[N@H+]([C@@H]3C[C@@H](C)[NH+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168057302 864389049 /nfs/dbraw/zinc/38/90/49/864389049.db2.gz LQJINPGCNVALCO-MXNKGDRCSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168057302 864389069 /nfs/dbraw/zinc/38/90/69/864389069.db2.gz LQJINPGCNVALCO-MXNKGDRCSA-N 2 1 395.547 3.985 20 0 GHADMP COc1cccc(O[C@H]2CC[NH+]([C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)n1 ZINC001168057302 864389089 /nfs/dbraw/zinc/38/90/89/864389089.db2.gz LQJINPGCNVALCO-MXNKGDRCSA-N 2 1 395.547 3.985 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)[C@H](C)C1 ZINC000159283313 864461229 /nfs/dbraw/zinc/46/12/29/864461229.db2.gz QZBGJOZMMDEPLV-NQIIRXRSSA-N 2 1 399.535 3.759 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000621981270 864656788 /nfs/dbraw/zinc/65/67/88/864656788.db2.gz KAUZALXVGHJTBB-YZGWKJHDSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1cccs1 ZINC000621981270 864656793 /nfs/dbraw/zinc/65/67/93/864656793.db2.gz KAUZALXVGHJTBB-YZGWKJHDSA-N 2 1 383.561 3.664 20 0 GHADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1cccs1 ZINC000621981270 864656796 /nfs/dbraw/zinc/65/67/96/864656796.db2.gz KAUZALXVGHJTBB-YZGWKJHDSA-N 2 1 383.561 3.664 20 0 GHADMP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)s1 ZINC000165541630 864681908 /nfs/dbraw/zinc/68/19/08/864681908.db2.gz FVPBIOCZFRZWMF-ZWKOTPCHSA-N 2 1 378.586 3.857 20 0 GHADMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)ncn1 ZINC001168060808 864716721 /nfs/dbraw/zinc/71/67/21/864716721.db2.gz YIMRIOYVPXFRSN-JHDGKUDLSA-N 2 1 393.579 3.785 20 0 GHADMP CN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475313564 864766129 /nfs/dbraw/zinc/76/61/29/864766129.db2.gz DXRZOPIPPKCLFD-XMMPIXPASA-N 2 1 391.559 3.632 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000667688529 864788498 /nfs/dbraw/zinc/78/84/98/864788498.db2.gz WADSVPVCDGOOBP-UHFFFAOYSA-N 2 1 392.469 3.927 20 0 GHADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1OC(F)(F)F ZINC000554740810 864817216 /nfs/dbraw/zinc/81/72/16/864817216.db2.gz JJYNRDUQSOXLDH-AWEZNQCLSA-N 2 1 383.414 3.771 20 0 GHADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CC12CCC2 ZINC000622179765 864821592 /nfs/dbraw/zinc/82/15/92/864821592.db2.gz MLWLVETZSISAHO-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000622179765 864821609 /nfs/dbraw/zinc/82/16/09/864821609.db2.gz MLWLVETZSISAHO-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000622179765 864821627 /nfs/dbraw/zinc/82/16/27/864821627.db2.gz MLWLVETZSISAHO-VXKWHMMOSA-N 2 1 383.580 3.669 20 0 GHADMP CC(C)[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480604704 864961225 /nfs/dbraw/zinc/96/12/25/864961225.db2.gz VBGKGYJWWKFTDU-DEOSSOPVSA-N 2 1 393.575 3.821 20 0 GHADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480620387 864983795 /nfs/dbraw/zinc/98/37/95/864983795.db2.gz ZMIJLXMVBWALAU-XUZZJYLKSA-N 2 1 381.564 3.560 20 0 GHADMP C/C(=C/c1ccccc1)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554868777 865060966 /nfs/dbraw/zinc/06/09/66/865060966.db2.gz LWEMWDVYYDOMGV-UIXYPFHGSA-N 2 1 375.560 3.982 20 0 GHADMP C/C(=C/c1ccccc1)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554868777 865060981 /nfs/dbraw/zinc/06/09/81/865060981.db2.gz LWEMWDVYYDOMGV-UIXYPFHGSA-N 2 1 375.560 3.982 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000667725269 865093763 /nfs/dbraw/zinc/09/37/63/865093763.db2.gz BVQAOKONWKNWEN-HSZRJFAPSA-N 2 1 378.520 3.665 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc4c(c3)COC4)cc2)CC1 ZINC000480721325 865142527 /nfs/dbraw/zinc/14/25/27/865142527.db2.gz MFTSJDGHCBRJIJ-IBGZPJMESA-N 2 1 379.548 3.705 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000480710296 865148682 /nfs/dbraw/zinc/14/86/82/865148682.db2.gz WGOKVQGAEKPKMA-IBGZPJMESA-N 2 1 379.548 3.705 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1C ZINC000301141809 865185101 /nfs/dbraw/zinc/18/51/01/865185101.db2.gz GIERGZLIBVYYGT-QGZVFWFLSA-N 2 1 385.581 3.578 20 0 GHADMP COC(=O)[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)c1ccccc1F ZINC000174116945 865421978 /nfs/dbraw/zinc/42/19/78/865421978.db2.gz JURAKOAXQKOYNK-JOCHJYFZSA-N 2 1 399.510 3.930 20 0 GHADMP C[N@H+](CCC[NH2+]Cc1cc2ccccc2nc1N1CCOCC1)C1CCCCC1 ZINC000920175830 881885251 /nfs/dbraw/zinc/88/52/51/881885251.db2.gz LFBKLSHERQYRRH-UHFFFAOYSA-N 2 1 396.579 3.816 20 0 GHADMP C[N@@H+](CCC[NH2+]Cc1cc2ccccc2nc1N1CCOCC1)C1CCCCC1 ZINC000920175830 881885267 /nfs/dbraw/zinc/88/52/67/881885267.db2.gz LFBKLSHERQYRRH-UHFFFAOYSA-N 2 1 396.579 3.816 20 0 GHADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000301886360 865587666 /nfs/dbraw/zinc/58/76/66/865587666.db2.gz QBBOOMDSCHSQPL-GOSISDBHSA-N 2 1 397.519 3.694 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(CNC[C@@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000494543858 881886495 /nfs/dbraw/zinc/88/64/95/881886495.db2.gz CAIISCCLEWXTNV-INIZCTEOSA-N 2 1 378.442 3.524 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cn2)cc1 ZINC000494543858 881886508 /nfs/dbraw/zinc/88/65/08/881886508.db2.gz CAIISCCLEWXTNV-INIZCTEOSA-N 2 1 378.442 3.524 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000494543858 881886525 /nfs/dbraw/zinc/88/65/25/881886525.db2.gz CAIISCCLEWXTNV-INIZCTEOSA-N 2 1 378.442 3.524 20 0 GHADMP C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403099 865768559 /nfs/dbraw/zinc/76/85/59/865768559.db2.gz DJROAUGFAKWKQB-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403099 865768566 /nfs/dbraw/zinc/76/85/66/865768566.db2.gz DJROAUGFAKWKQB-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP C[NH+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403099 865768570 /nfs/dbraw/zinc/76/85/70/865768570.db2.gz DJROAUGFAKWKQB-SFTDATJTSA-N 2 1 387.568 3.697 20 0 GHADMP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000302616606 865860777 /nfs/dbraw/zinc/86/07/77/865860777.db2.gz CPCCXUOAQXPUMQ-HNNXBMFYSA-N 2 1 391.357 3.683 20 0 GHADMP CC[NH+](CC)[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000174178297 865885592 /nfs/dbraw/zinc/88/55/92/865885592.db2.gz KYGPUUWRFMJPCN-QHCPKHFHSA-N 2 1 379.548 3.875 20 0 GHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175318 865924529 /nfs/dbraw/zinc/92/45/29/865924529.db2.gz PGXZTMKUQPTHLZ-MJGOQNOKSA-N 2 1 399.501 3.534 20 0 GHADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175318 865924535 /nfs/dbraw/zinc/92/45/35/865924535.db2.gz PGXZTMKUQPTHLZ-MJGOQNOKSA-N 2 1 399.501 3.534 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000481181587 865939755 /nfs/dbraw/zinc/93/97/55/865939755.db2.gz ZTBNKNDZBDUMKW-CTUHWIOQSA-N 2 1 391.559 3.680 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000481181587 865939767 /nfs/dbraw/zinc/93/97/67/865939767.db2.gz ZTBNKNDZBDUMKW-CTUHWIOQSA-N 2 1 391.559 3.680 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000667846802 866089515 /nfs/dbraw/zinc/08/95/15/866089515.db2.gz NQQOSKCQUNYJSZ-AKIFATBCSA-N 2 1 392.547 3.828 20 0 GHADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3cccc(C(F)(F)F)c3)no1)CC[NH2+]CC2 ZINC000582235821 866134026 /nfs/dbraw/zinc/13/40/26/866134026.db2.gz PHQBOPPSUAYEEX-CYBMUJFWSA-N 2 1 380.414 3.719 20 0 GHADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000121202850 881964883 /nfs/dbraw/zinc/96/48/83/881964883.db2.gz UHSUEHJGBRWMMQ-SVFBPWRDSA-N 2 1 388.600 3.657 20 0 GHADMP C[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456318813 866428968 /nfs/dbraw/zinc/42/89/68/866428968.db2.gz BMWUWVIVBKYKLP-FQEVSTJZSA-N 2 1 388.515 3.526 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000153459687 866490243 /nfs/dbraw/zinc/49/02/43/866490243.db2.gz LOOUXKOFQKALJT-MSOLQXFVSA-N 2 1 384.520 3.775 20 0 GHADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000153459687 866490254 /nfs/dbraw/zinc/49/02/54/866490254.db2.gz LOOUXKOFQKALJT-MSOLQXFVSA-N 2 1 384.520 3.775 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000620192310 866528851 /nfs/dbraw/zinc/52/88/51/866528851.db2.gz JUDIVKDXGSTYTR-DHIUTWEWSA-N 2 1 391.559 3.708 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ccccc1 ZINC000620192310 866528855 /nfs/dbraw/zinc/52/88/55/866528855.db2.gz JUDIVKDXGSTYTR-DHIUTWEWSA-N 2 1 391.559 3.708 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000523115887 866531101 /nfs/dbraw/zinc/53/11/01/866531101.db2.gz AVMRVQZAIBIQIE-CLWJZODNSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000523115887 866531106 /nfs/dbraw/zinc/53/11/06/866531106.db2.gz AVMRVQZAIBIQIE-CLWJZODNSA-N 2 1 377.960 3.854 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000428761969 866532658 /nfs/dbraw/zinc/53/26/58/866532658.db2.gz XXMGQPAQELZJLL-DYQZNNLLSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428761969 866532670 /nfs/dbraw/zinc/53/26/70/866532670.db2.gz XXMGQPAQELZJLL-DYQZNNLLSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428761969 866532688 /nfs/dbraw/zinc/53/26/88/866532688.db2.gz XXMGQPAQELZJLL-DYQZNNLLSA-N 2 1 386.584 3.602 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000444600642 866932787 /nfs/dbraw/zinc/93/27/87/866932787.db2.gz UDRCATAUWQMMQJ-NRFANRHFSA-N 2 1 397.607 3.938 20 0 GHADMP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000444610033 866945925 /nfs/dbraw/zinc/94/59/25/866945925.db2.gz NVRRBWTXNWXYMC-OAQYLSRUSA-N 2 1 387.568 3.605 20 0 GHADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000456795749 867122380 /nfs/dbraw/zinc/12/23/80/867122380.db2.gz UQYFDXUNCIACND-KRWDZBQOSA-N 2 1 388.899 3.526 20 0 GHADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000479081022 867145093 /nfs/dbraw/zinc/14/50/93/867145093.db2.gz PEEMNJNIHJTZHU-WSTZPKSXSA-N 2 1 395.613 3.502 20 0 GHADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000793259547 882053258 /nfs/dbraw/zinc/05/32/58/882053258.db2.gz KBHUSPCYPSHOJK-LJQANCHMSA-N 2 1 389.584 3.929 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)[C@H](C)C1 ZINC000429787842 867334301 /nfs/dbraw/zinc/33/43/01/867334301.db2.gz XNGNYLMSECOIHG-CKUXNOBLSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)[C@H](C)C1 ZINC000429787842 867334312 /nfs/dbraw/zinc/33/43/12/867334312.db2.gz XNGNYLMSECOIHG-CKUXNOBLSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)[C@H](C)C1 ZINC000429787842 867334330 /nfs/dbraw/zinc/33/43/30/867334330.db2.gz XNGNYLMSECOIHG-CKUXNOBLSA-N 2 1 382.548 3.755 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000154452881 867411299 /nfs/dbraw/zinc/41/12/99/867411299.db2.gz JJVBKLNHLKTUTN-OAQYLSRUSA-N 2 1 397.611 3.866 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 ZINC000183710240 867429170 /nfs/dbraw/zinc/42/91/70/867429170.db2.gz UNITXDYSTHHRRU-VQIMIIECSA-N 2 1 399.539 3.843 20 0 GHADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000620796091 867501062 /nfs/dbraw/zinc/50/10/62/867501062.db2.gz KUUOOLLRZUVMFA-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000620796091 867501074 /nfs/dbraw/zinc/50/10/74/867501074.db2.gz KUUOOLLRZUVMFA-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000620796091 867501090 /nfs/dbraw/zinc/50/10/90/867501090.db2.gz KUUOOLLRZUVMFA-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP C[NH+](C)CCc1ccc(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000857189179 882099477 /nfs/dbraw/zinc/09/94/77/882099477.db2.gz XDCMGLNJNSSFTB-HSZRJFAPSA-N 2 1 379.548 3.530 20 0 GHADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000154852058 867630426 /nfs/dbraw/zinc/63/04/26/867630426.db2.gz ORVDWUXQDHFNGI-KBPBESRZSA-N 2 1 375.340 3.850 20 0 GHADMP O=[S@@](CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000534963885 867878637 /nfs/dbraw/zinc/87/86/37/867878637.db2.gz PABFKNFRPUMYTJ-MHZLTWQESA-N 2 1 382.573 3.782 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000535018507 867939450 /nfs/dbraw/zinc/93/94/50/867939450.db2.gz KWLWPDVIRBOTOF-XXBNENTESA-N 2 1 398.595 3.776 20 0 GHADMP CCC[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000743872367 868469802 /nfs/dbraw/zinc/46/98/02/868469802.db2.gz PLMJANUWTPFSEY-HSZRJFAPSA-N 2 1 386.584 3.669 20 0 GHADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(OC)c1 ZINC000156897541 868494494 /nfs/dbraw/zinc/49/44/94/868494494.db2.gz RVUAQCJZBCDNND-JTHBVZDNSA-N 2 1 395.547 3.633 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)C1 ZINC000457651520 868577007 /nfs/dbraw/zinc/57/70/07/868577007.db2.gz NLYSSALLDPVNBO-QFIPXVFZSA-N 2 1 386.584 3.543 20 0 GHADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1 ZINC000157278897 868610647 /nfs/dbraw/zinc/61/06/47/868610647.db2.gz UURIDXKNIJKVHS-SFHVURJKSA-N 2 1 394.357 3.728 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000479877987 868643922 /nfs/dbraw/zinc/64/39/22/868643922.db2.gz XUTIKIIZCXSCDM-UFYCRDLUSA-N 2 1 379.614 3.612 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000479877987 868643932 /nfs/dbraw/zinc/64/39/32/868643932.db2.gz XUTIKIIZCXSCDM-UFYCRDLUSA-N 2 1 379.614 3.612 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)[C@@H](C)C1 ZINC000479877987 868643941 /nfs/dbraw/zinc/64/39/41/868643941.db2.gz XUTIKIIZCXSCDM-UFYCRDLUSA-N 2 1 379.614 3.612 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000157432776 868653287 /nfs/dbraw/zinc/65/32/87/868653287.db2.gz QRJAYLOIVZZBMY-GGAORHGYSA-N 2 1 398.595 3.555 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000479929899 868740634 /nfs/dbraw/zinc/74/06/34/868740634.db2.gz WYRNOFVCLNYCKV-OALUTQOASA-N 2 1 395.613 3.632 20 0 GHADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000479929899 868740645 /nfs/dbraw/zinc/74/06/45/868740645.db2.gz WYRNOFVCLNYCKV-OALUTQOASA-N 2 1 395.613 3.632 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC001183045410 912214668 /nfs/dbraw/zinc/21/46/68/912214668.db2.gz JKAVMHHJDOGYEZ-JOCHJYFZSA-N 2 1 399.583 3.969 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC001183045410 912214692 /nfs/dbraw/zinc/21/46/92/912214692.db2.gz JKAVMHHJDOGYEZ-JOCHJYFZSA-N 2 1 399.583 3.969 20 0 GHADMP Cc1nn(C(C)C)c(C)c1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC001183045410 912214706 /nfs/dbraw/zinc/21/47/06/912214706.db2.gz JKAVMHHJDOGYEZ-JOCHJYFZSA-N 2 1 399.583 3.969 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000190770994 882266615 /nfs/dbraw/zinc/26/66/15/882266615.db2.gz ZXRPNYSODMUXRJ-FQEVSTJZSA-N 2 1 396.579 3.686 20 0 GHADMP CC1(C)CCCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000446075040 869374789 /nfs/dbraw/zinc/37/47/89/869374789.db2.gz VIFLCOLZRRYENN-UHFFFAOYSA-N 2 1 375.582 3.686 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(-c4ccccc4)[nH]3)CC2)CC1 ZINC000539824125 869832964 /nfs/dbraw/zinc/83/29/64/869832964.db2.gz XPIBWHYAGXJVGC-UHFFFAOYSA-N 2 1 395.595 3.705 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3c[nH]c(-c4ccccc4)n3)CC2)CC1 ZINC000539824125 869832978 /nfs/dbraw/zinc/83/29/78/869832978.db2.gz XPIBWHYAGXJVGC-UHFFFAOYSA-N 2 1 395.595 3.705 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c[nH]c(-c4ccccc4)n3)CC2)CC1 ZINC000539824125 869832992 /nfs/dbraw/zinc/83/29/92/869832992.db2.gz XPIBWHYAGXJVGC-UHFFFAOYSA-N 2 1 395.595 3.705 20 0 GHADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900488 869990304 /nfs/dbraw/zinc/99/03/04/869990304.db2.gz VLSJMWIQDJIOSX-FUHWJXTLSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900488 869990308 /nfs/dbraw/zinc/99/03/08/869990308.db2.gz VLSJMWIQDJIOSX-FUHWJXTLSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)CC[C@H]21 ZINC000539900488 869990313 /nfs/dbraw/zinc/99/03/13/869990313.db2.gz VLSJMWIQDJIOSX-FUHWJXTLSA-N 2 1 378.442 3.807 20 0 GHADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000446569404 870017456 /nfs/dbraw/zinc/01/74/56/870017456.db2.gz NNQQKQNXGULKHG-NRFANRHFSA-N 2 1 380.536 3.577 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446583690 870058220 /nfs/dbraw/zinc/05/82/20/870058220.db2.gz DUZLTFWBUTZHNF-WOJBJXKFSA-N 2 1 394.563 3.917 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[C@H](c2ccccc2)C1 ZINC000462791208 870085571 /nfs/dbraw/zinc/08/55/71/870085571.db2.gz RKFVHDNQLAHWMY-KEZOAJOQSA-N 2 1 385.596 3.550 20 0 GHADMP Fc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000462817833 870149203 /nfs/dbraw/zinc/14/92/03/870149203.db2.gz JOSAPEVATRYXEY-OAQYLSRUSA-N 2 1 381.539 3.949 20 0 GHADMP C[NH+](C)CCOc1ccccc1N1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000462851258 870199650 /nfs/dbraw/zinc/19/96/50/870199650.db2.gz JDJPSWQNGDEQPF-UHFFFAOYSA-N 2 1 382.533 3.563 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(C)c1I ZINC001205591042 870253914 /nfs/dbraw/zinc/25/39/14/870253914.db2.gz BZKYGFCETULFLD-INIZCTEOSA-N 2 1 390.284 3.561 20 0 GHADMP CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000189482587 870300029 /nfs/dbraw/zinc/30/00/29/870300029.db2.gz OEQCGBVDLUSBKV-UHFFFAOYSA-N 2 1 385.552 3.808 20 0 GHADMP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000248159275 870304251 /nfs/dbraw/zinc/30/42/51/870304251.db2.gz RWQXRTLXTRKQAZ-PGRDOPGGSA-N 2 1 395.547 3.633 20 0 GHADMP c1cnn(-c2ncccc2C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248407914 870384997 /nfs/dbraw/zinc/38/49/97/870384997.db2.gz UVIVKQSFDRSQDE-VABKMULXSA-N 2 1 387.531 3.658 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1OC(F)F ZINC000248435028 870416580 /nfs/dbraw/zinc/41/65/80/870416580.db2.gz FHAGQMHJXCHDQC-MAUKXSAKSA-N 2 1 376.447 3.705 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1 ZINC000248462478 870440912 /nfs/dbraw/zinc/44/09/12/870440912.db2.gz YJBZCWDVIXYGCL-FGSXEWAUSA-N 2 1 398.551 3.543 20 0 GHADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248542105 870482120 /nfs/dbraw/zinc/48/21/20/870482120.db2.gz BWODLBUTBNUIIL-VPWXQRGCSA-N 2 1 384.486 3.851 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248600615 870526149 /nfs/dbraw/zinc/52/61/49/870526149.db2.gz UZPZYRDLTLWIFA-XWSJACJDSA-N 2 1 387.568 3.504 20 0 GHADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248600615 870526165 /nfs/dbraw/zinc/52/61/65/870526165.db2.gz UZPZYRDLTLWIFA-XWSJACJDSA-N 2 1 387.568 3.504 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462967717 870561275 /nfs/dbraw/zinc/56/12/75/870561275.db2.gz RHIOKYXMMZTCGQ-YRBFXIGRSA-N 2 1 399.373 3.590 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462967717 870561290 /nfs/dbraw/zinc/56/12/90/870561290.db2.gz RHIOKYXMMZTCGQ-YRBFXIGRSA-N 2 1 399.373 3.590 20 0 GHADMP C[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1cccc(Br)c1 ZINC000538796182 870624217 /nfs/dbraw/zinc/62/42/17/870624217.db2.gz TUKQDFWVMWCOJH-ZWQIFLOQSA-N 2 1 381.358 3.736 20 0 GHADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1cccc(Br)c1 ZINC000538796182 870624223 /nfs/dbraw/zinc/62/42/23/870624223.db2.gz TUKQDFWVMWCOJH-ZWQIFLOQSA-N 2 1 381.358 3.736 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001192902098 870758426 /nfs/dbraw/zinc/75/84/26/870758426.db2.gz RAFBACYUUPUXEP-CTNGQTDRSA-N 2 1 390.591 3.881 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001192902098 870758436 /nfs/dbraw/zinc/75/84/36/870758436.db2.gz RAFBACYUUPUXEP-CTNGQTDRSA-N 2 1 390.591 3.881 20 0 GHADMP Cc1cc(C)c(N2CC[C@@H]([N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)C2=O)c(C)c1 ZINC001192918283 870771868 /nfs/dbraw/zinc/77/18/68/870771868.db2.gz KWNIUUXMDSVELX-JOCHJYFZSA-N 2 1 379.548 3.911 20 0 GHADMP Cc1cc(C)c(N2CC[C@@H]([N@H+](C)Cc3ccc(C[NH+](C)C)cc3)C2=O)c(C)c1 ZINC001192918283 870771874 /nfs/dbraw/zinc/77/18/74/870771874.db2.gz KWNIUUXMDSVELX-JOCHJYFZSA-N 2 1 379.548 3.911 20 0 GHADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000249753056 870902116 /nfs/dbraw/zinc/90/21/16/870902116.db2.gz SALISSXKCSIMAP-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249753056 870902131 /nfs/dbraw/zinc/90/21/31/870902131.db2.gz SALISSXKCSIMAP-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000249753056 870902147 /nfs/dbraw/zinc/90/21/47/870902147.db2.gz SALISSXKCSIMAP-UXHICEINSA-N 2 1 386.584 3.592 20 0 GHADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000540299691 870940085 /nfs/dbraw/zinc/94/00/85/870940085.db2.gz QQFKNUVCXZLEBC-SJLPKXTDSA-N 2 1 385.474 3.580 20 0 GHADMP OC[C@@H](C1CC1)N(Cc1ccccc1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429696565 871044563 /nfs/dbraw/zinc/04/45/63/871044563.db2.gz IRJCVFHRQAQJLU-DQEYMECFSA-N 2 1 394.559 3.551 20 0 GHADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCC[C@H]1C ZINC001193413636 871096909 /nfs/dbraw/zinc/09/69/09/871096909.db2.gz PBBFDNGQVHMTKK-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCC[C@H]1C ZINC001193413636 871096928 /nfs/dbraw/zinc/09/69/28/871096928.db2.gz PBBFDNGQVHMTKK-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCC[C@H]1C ZINC001193413636 871096939 /nfs/dbraw/zinc/09/69/39/871096939.db2.gz PBBFDNGQVHMTKK-FYYLOGMGSA-N 2 1 385.596 3.930 20 0 GHADMP COc1cccc(O[C@H](C)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000463206565 871135717 /nfs/dbraw/zinc/13/57/17/871135717.db2.gz QGPJLDYKOTYNCW-GOSISDBHSA-N 2 1 386.511 3.898 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c3ccccc3c(CC[NH3+])c1CC(=O)OC(C)(C)C)C2 ZINC001169123391 871214635 /nfs/dbraw/zinc/21/46/35/871214635.db2.gz KPISNUYQLFFFTA-BCDXTJNWSA-N 2 1 397.563 3.824 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)CC[N@@H+]1Cc1ccccc1 ZINC000539084701 871229334 /nfs/dbraw/zinc/22/93/34/871229334.db2.gz VGBIPEOQBRGTDZ-IEBWSBKVSA-N 2 1 380.511 3.898 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)CC[N@H+]1Cc1ccccc1 ZINC000539084701 871229350 /nfs/dbraw/zinc/22/93/50/871229350.db2.gz VGBIPEOQBRGTDZ-IEBWSBKVSA-N 2 1 380.511 3.898 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)c1 ZINC000539072761 871259235 /nfs/dbraw/zinc/25/92/35/871259235.db2.gz SKHPVLOOHFYESN-KRWDZBQOSA-N 2 1 389.565 3.749 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(Cl)n2)CC1 ZINC000181632483 871326996 /nfs/dbraw/zinc/32/69/96/871326996.db2.gz MVUZMPKGGLBEIH-OAHLLOKOSA-N 2 1 376.907 3.867 20 0 GHADMP CCN1CCC([NH2+]CC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC001169239318 871337465 /nfs/dbraw/zinc/33/74/65/871337465.db2.gz ZRYQYAMRAGAIFY-UHFFFAOYSA-N 2 1 394.401 3.735 20 0 GHADMP FC(F)(F)c1cccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000463274360 871345463 /nfs/dbraw/zinc/34/54/63/871345463.db2.gz QEBQEWIJDDVHRJ-UHFFFAOYSA-N 2 1 393.453 3.776 20 0 GHADMP CC[NH+]1CCC([N@@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169250784 871350067 /nfs/dbraw/zinc/35/00/67/871350067.db2.gz RINGXQNYLDJMHZ-HXUWFJFHSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+]1CCC([N@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001169250784 871350098 /nfs/dbraw/zinc/35/00/98/871350098.db2.gz RINGXQNYLDJMHZ-HXUWFJFHSA-N 2 1 379.589 3.972 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)o1 ZINC000618355189 871519360 /nfs/dbraw/zinc/51/93/60/871519360.db2.gz REDFYGSNRSZDNN-FQEVSTJZSA-N 2 1 383.536 3.510 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001169470563 871546475 /nfs/dbraw/zinc/54/64/75/871546475.db2.gz DRIHFLVASSNJNY-MMKMLUHNSA-N 2 1 391.625 3.927 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001169470563 871546485 /nfs/dbraw/zinc/54/64/85/871546485.db2.gz DRIHFLVASSNJNY-MMKMLUHNSA-N 2 1 391.625 3.927 20 0 GHADMP CCN(CC)C(=O)C[C@H](C)[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3cccs3)[C@@H]2C1 ZINC001169470563 871546497 /nfs/dbraw/zinc/54/64/97/871546497.db2.gz DRIHFLVASSNJNY-MMKMLUHNSA-N 2 1 391.625 3.927 20 0 GHADMP CN(C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C[NH+]1CCCCCC1 ZINC001169507841 871572384 /nfs/dbraw/zinc/57/23/84/871572384.db2.gz SPXCLABZQLDDIF-QHCPKHFHSA-N 2 1 387.612 3.864 20 0 GHADMP CSc1ccccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001194240484 871578991 /nfs/dbraw/zinc/57/89/91/871578991.db2.gz JYNRMDIVXVLDSC-JOCHJYFZSA-N 2 1 381.589 3.801 20 0 GHADMP CSc1ccccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001194240484 871579000 /nfs/dbraw/zinc/57/90/00/871579000.db2.gz JYNRMDIVXVLDSC-JOCHJYFZSA-N 2 1 381.589 3.801 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000540560705 871591467 /nfs/dbraw/zinc/59/14/67/871591467.db2.gz RUWJLHFRQDGLDT-QFIPXVFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000540560705 871591484 /nfs/dbraw/zinc/59/14/84/871591484.db2.gz RUWJLHFRQDGLDT-QFIPXVFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000540560705 871591497 /nfs/dbraw/zinc/59/14/97/871591497.db2.gz RUWJLHFRQDGLDT-QFIPXVFZSA-N 2 1 397.588 3.928 20 0 GHADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3c3ccsc3)CC2)cc1 ZINC000540560705 871591508 /nfs/dbraw/zinc/59/15/08/871591508.db2.gz RUWJLHFRQDGLDT-QFIPXVFZSA-N 2 1 397.588 3.928 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001169524072 871599827 /nfs/dbraw/zinc/59/98/27/871599827.db2.gz CFJFNACJKHDOKP-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001169524072 871599846 /nfs/dbraw/zinc/59/98/46/871599846.db2.gz CFJFNACJKHDOKP-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001169524072 871599865 /nfs/dbraw/zinc/59/98/65/871599865.db2.gz CFJFNACJKHDOKP-FGCOXFRFSA-N 2 1 391.559 3.678 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000462188676 871753042 /nfs/dbraw/zinc/75/30/42/871753042.db2.gz LLMWVNFPNSSEQF-AUSIDOKSSA-N 2 1 379.548 3.779 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001169703538 871786076 /nfs/dbraw/zinc/78/60/76/871786076.db2.gz MECNCULRKQFCPY-FYYLOGMGSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169703538 871786082 /nfs/dbraw/zinc/78/60/82/871786082.db2.gz MECNCULRKQFCPY-FYYLOGMGSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001169703538 871786087 /nfs/dbraw/zinc/78/60/87/871786087.db2.gz MECNCULRKQFCPY-FYYLOGMGSA-N 2 1 385.552 3.595 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001169707773 871791732 /nfs/dbraw/zinc/79/17/32/871791732.db2.gz UQVUYWRAMRYOKJ-OAQYLSRUSA-N 2 1 385.552 3.520 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC001169707773 871791736 /nfs/dbraw/zinc/79/17/36/871791736.db2.gz UQVUYWRAMRYOKJ-OAQYLSRUSA-N 2 1 385.552 3.520 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001169721434 871809958 /nfs/dbraw/zinc/80/99/58/871809958.db2.gz PUTMBMWHHRDKQW-LADGPHEKSA-N 2 1 391.559 3.793 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001169735530 871831252 /nfs/dbraw/zinc/83/12/52/871831252.db2.gz JSASJDWJFIFBNU-DEOSSOPVSA-N 2 1 391.559 3.588 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508603120 871834234 /nfs/dbraw/zinc/83/42/34/871834234.db2.gz BYRCDLQXSMBJQW-IBGZPJMESA-N 2 1 389.609 3.620 20 0 GHADMP C[N@@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC001194615685 871861111 /nfs/dbraw/zinc/86/11/11/871861111.db2.gz JHTHHTNRUUZZLA-FCHUYYIVSA-N 2 1 388.502 3.852 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@@H](C[NH+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC001194615685 871861128 /nfs/dbraw/zinc/86/11/28/871861128.db2.gz JHTHHTNRUUZZLA-FCHUYYIVSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@@H+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC001194615685 871861146 /nfs/dbraw/zinc/86/11/46/871861146.db2.gz JHTHHTNRUUZZLA-FCHUYYIVSA-N 2 1 388.502 3.852 20 0 GHADMP C[NH+](Cc1ccccc1)C[C@@H](C[N@H+]1CCC(F)(F)[C@@H](CO)C1)c1ccccc1 ZINC001194615685 871861165 /nfs/dbraw/zinc/86/11/65/871861165.db2.gz JHTHHTNRUUZZLA-FCHUYYIVSA-N 2 1 388.502 3.852 20 0 GHADMP O=C(C1CCC1)N(CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447585094 871888939 /nfs/dbraw/zinc/88/89/39/871888939.db2.gz IBUBJZIADVADFE-VILGAWFOSA-N 2 1 395.591 3.953 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)[C@H]2CCC[C@@H]21 ZINC000552063990 871962459 /nfs/dbraw/zinc/96/24/59/871962459.db2.gz UKHAJLKSMUXMBC-QYZOEREBSA-N 2 1 389.341 3.597 20 0 GHADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000093336755 872092817 /nfs/dbraw/zinc/09/28/17/872092817.db2.gz QVNPRRBVBHTMAV-QFIPXVFZSA-N 2 1 375.520 3.530 20 0 GHADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000093336755 872092850 /nfs/dbraw/zinc/09/28/50/872092850.db2.gz QVNPRRBVBHTMAV-QFIPXVFZSA-N 2 1 375.520 3.530 20 0 GHADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000093336755 872092863 /nfs/dbraw/zinc/09/28/63/872092863.db2.gz QVNPRRBVBHTMAV-QFIPXVFZSA-N 2 1 375.520 3.530 20 0 GHADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000477917306 872176577 /nfs/dbraw/zinc/17/65/77/872176577.db2.gz GQARIRDENKCBQB-VOQZNFBZSA-N 2 1 387.543 3.559 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834861 872373641 /nfs/dbraw/zinc/37/36/41/872373641.db2.gz LXWYXBQTURRXLB-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[NH+]1Cc1cccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834861 872373661 /nfs/dbraw/zinc/37/36/61/872373661.db2.gz LXWYXBQTURRXLB-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP C[C@@H](O)C[C@H]1CCCC[NH+]1Cc1cccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000447834861 872373678 /nfs/dbraw/zinc/37/36/78/872373678.db2.gz LXWYXBQTURRXLB-GKIBHXGMSA-N 2 1 388.596 3.937 20 0 GHADMP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@H](C)[NH+]3CCCCC3)c2C)cc1 ZINC000463738440 872454838 /nfs/dbraw/zinc/45/48/38/872454838.db2.gz IMHLVHVJQYNUFU-SFHVURJKSA-N 2 1 384.568 3.911 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CC[C@@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001195648417 872532348 /nfs/dbraw/zinc/53/23/48/872532348.db2.gz DXZBXTLIIFYCOM-JXALWOEJSA-N 2 1 382.548 3.851 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CC[C@@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001195648417 872532363 /nfs/dbraw/zinc/53/23/63/872532363.db2.gz DXZBXTLIIFYCOM-JXALWOEJSA-N 2 1 382.548 3.851 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CC[C@@H](O)c3ccccc3)cc2)C[C@H](C)O1 ZINC001195648417 872532374 /nfs/dbraw/zinc/53/23/74/872532374.db2.gz DXZBXTLIIFYCOM-JXALWOEJSA-N 2 1 382.548 3.851 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)cc1)C1CC1 ZINC000552458098 872662714 /nfs/dbraw/zinc/66/27/14/872662714.db2.gz RXCHKHDWXYRRMD-XMMPIXPASA-N 2 1 391.559 3.670 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)[C@H](Cc3ccccc3)C2)cc1)C1CC1 ZINC000552458098 872662732 /nfs/dbraw/zinc/66/27/32/872662732.db2.gz RXCHKHDWXYRRMD-XMMPIXPASA-N 2 1 391.559 3.670 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1)C1CC1 ZINC000552458098 872662742 /nfs/dbraw/zinc/66/27/42/872662742.db2.gz RXCHKHDWXYRRMD-XMMPIXPASA-N 2 1 391.559 3.670 20 0 GHADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1)C1CC1 ZINC000552458098 872662751 /nfs/dbraw/zinc/66/27/51/872662751.db2.gz RXCHKHDWXYRRMD-XMMPIXPASA-N 2 1 391.559 3.670 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000527237935 872852914 /nfs/dbraw/zinc/85/29/14/872852914.db2.gz AWQSWAUDJPIGNN-YPGOJHLTSA-N 2 1 395.572 3.846 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182845152 872875568 /nfs/dbraw/zinc/87/55/68/872875568.db2.gz UOJUDFLWCFJPAD-LJQANCHMSA-N 2 1 383.552 3.996 20 0 GHADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262219157 873056877 /nfs/dbraw/zinc/05/68/77/873056877.db2.gz MOKDERKTHGHINN-GLJUWKHASA-N 2 1 384.351 3.635 20 0 GHADMP CCCc1sc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1CC ZINC000460482847 882692774 /nfs/dbraw/zinc/69/27/74/882692774.db2.gz JCZLDOIMGNJMCS-UHFFFAOYSA-N 2 1 391.625 3.943 20 0 GHADMP COC(=O)COc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000541236593 873197322 /nfs/dbraw/zinc/19/73/22/873197322.db2.gz RVFAVWUFJXRDJV-IBGZPJMESA-N 2 1 388.552 3.715 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000541384687 873488663 /nfs/dbraw/zinc/48/86/63/873488663.db2.gz ZYRSSFRUHUZQON-SIKLNZKXSA-N 3 1 389.547 3.966 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000541384687 873488667 /nfs/dbraw/zinc/48/86/67/873488667.db2.gz ZYRSSFRUHUZQON-SIKLNZKXSA-N 2 1 389.547 3.966 20 0 GHADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000541384687 873488671 /nfs/dbraw/zinc/48/86/71/873488671.db2.gz ZYRSSFRUHUZQON-SIKLNZKXSA-N 2 1 389.547 3.966 20 0 GHADMP CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[NH+](C)C ZINC000541458408 873643052 /nfs/dbraw/zinc/64/30/52/873643052.db2.gz ZOCNLQPKTFTILK-SFHVURJKSA-N 2 1 386.367 3.660 20 0 GHADMP C[C@H](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCCC1 ZINC000541523848 873771326 /nfs/dbraw/zinc/77/13/26/873771326.db2.gz HZYWRIQCXSZBFV-UYAOXDASSA-N 2 1 386.584 3.874 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149219 873848712 /nfs/dbraw/zinc/84/87/12/873848712.db2.gz ZBISISUMQIGQDT-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149219 873848727 /nfs/dbraw/zinc/84/87/27/873848727.db2.gz ZBISISUMQIGQDT-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149219 873848744 /nfs/dbraw/zinc/84/87/44/873848744.db2.gz ZBISISUMQIGQDT-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149219 873848754 /nfs/dbraw/zinc/84/87/54/873848754.db2.gz ZBISISUMQIGQDT-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769149219 873848763 /nfs/dbraw/zinc/84/87/63/873848763.db2.gz ZBISISUMQIGQDT-AQNXPRMDSA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000134175345 882769982 /nfs/dbraw/zinc/76/99/82/882769982.db2.gz XCXWTXJVCCHJHX-UHFFFAOYSA-N 2 1 398.551 3.792 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccc(OC)cc3s2)CC1 ZINC000475720040 882773101 /nfs/dbraw/zinc/77/31/01/882773101.db2.gz VVQDEIAXRKGFDU-UHFFFAOYSA-N 2 1 391.581 3.875 20 0 GHADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000448767997 873910416 /nfs/dbraw/zinc/91/04/16/873910416.db2.gz PFSVVCHAXLHMOL-AVRDEDQJSA-N 2 1 389.503 3.565 20 0 GHADMP CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000448767997 873910424 /nfs/dbraw/zinc/91/04/24/873910424.db2.gz PFSVVCHAXLHMOL-AVRDEDQJSA-N 2 1 389.503 3.565 20 0 GHADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000744414021 874016787 /nfs/dbraw/zinc/01/67/87/874016787.db2.gz CQMWCJVNGOOENM-KNQAVFIVSA-N 2 1 386.584 3.668 20 0 GHADMP C[C@]1([C@@H]2CCC[N@@H+](CCC[NH+]3CCC(Cc4ccccc4)CC3)C2)COC(=O)N1 ZINC001197892506 874093477 /nfs/dbraw/zinc/09/34/77/874093477.db2.gz YFOPOWDLNRMXIV-ISKFKSNPSA-N 2 1 399.579 3.542 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000541686777 874094142 /nfs/dbraw/zinc/09/41/42/874094142.db2.gz JYNLZFNPMQDCEE-GFCCVEGCSA-N 2 1 390.285 3.745 20 0 GHADMP C[C@H](C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000769686650 874208982 /nfs/dbraw/zinc/20/89/82/874208982.db2.gz WQVFFVFYQVOHBH-RBUKOAKNSA-N 2 1 389.584 3.975 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CCC[C@@H]1C1OCCO1)c1ccccc1 ZINC001198269891 874339148 /nfs/dbraw/zinc/33/91/48/874339148.db2.gz FZQDKRAEXPYRGC-DHIUTWEWSA-N 2 1 380.532 3.740 20 0 GHADMP O=C(C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000464727968 874390596 /nfs/dbraw/zinc/39/05/96/874390596.db2.gz BYGAPSPREMNFDL-DEOSSOPVSA-N 2 1 389.543 3.529 20 0 GHADMP O=C(C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000464727968 874390615 /nfs/dbraw/zinc/39/06/15/874390615.db2.gz BYGAPSPREMNFDL-DEOSSOPVSA-N 2 1 389.543 3.529 20 0 GHADMP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000449073866 874453986 /nfs/dbraw/zinc/45/39/86/874453986.db2.gz ANIVUMAEKQGYEO-LJQANCHMSA-N 2 1 379.548 3.622 20 0 GHADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000449077358 874458321 /nfs/dbraw/zinc/45/83/21/874458321.db2.gz RJIPJNWLVUKQQK-HXUWFJFHSA-N 2 1 378.564 3.867 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449078258 874459941 /nfs/dbraw/zinc/45/99/41/874459941.db2.gz LKXGYKPNXFRLME-SFHVURJKSA-N 2 1 398.364 3.583 20 0 GHADMP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cn2)cc1 ZINC000449109590 874484887 /nfs/dbraw/zinc/48/48/87/874484887.db2.gz ZRYWJEOFPWRZIV-SFHVURJKSA-N 2 1 396.560 3.944 20 0 GHADMP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cn2)cc1 ZINC000449109590 874484896 /nfs/dbraw/zinc/48/48/96/874484896.db2.gz ZRYWJEOFPWRZIV-SFHVURJKSA-N 2 1 396.560 3.944 20 0 GHADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000449151156 874540289 /nfs/dbraw/zinc/54/02/89/874540289.db2.gz WHAXAQRVUSDNNM-CABCVRRESA-N 2 1 375.340 3.587 20 0 GHADMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(C(F)(F)F)n2)CC1 ZINC000449399437 874815641 /nfs/dbraw/zinc/81/56/41/874815641.db2.gz ASGHEARMZQUZEQ-UHFFFAOYSA-N 2 1 378.442 3.532 20 0 GHADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccccc2I)c1 ZINC001199220296 874859037 /nfs/dbraw/zinc/85/90/37/874859037.db2.gz YYCUCSNWSCFCQO-UHFFFAOYSA-N 2 1 380.273 3.643 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000464976091 874878409 /nfs/dbraw/zinc/87/84/09/874878409.db2.gz XTAXVVVNOQVLCH-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000464976091 874878417 /nfs/dbraw/zinc/87/84/17/874878417.db2.gz XTAXVVVNOQVLCH-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000464976091 874878426 /nfs/dbraw/zinc/87/84/26/874878426.db2.gz XTAXVVVNOQVLCH-ZEQRLZLVSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000464976088 874878469 /nfs/dbraw/zinc/87/84/69/874878469.db2.gz XTAXVVVNOQVLCH-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000464976088 874878479 /nfs/dbraw/zinc/87/84/79/874878479.db2.gz XTAXVVVNOQVLCH-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000464976088 874878489 /nfs/dbraw/zinc/87/84/89/874878489.db2.gz XTAXVVVNOQVLCH-BJKOFHAPSA-N 2 1 391.559 3.632 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@H](c4ccncc4)C3)CC2)cc1 ZINC000449537095 875018474 /nfs/dbraw/zinc/01/84/74/875018474.db2.gz JENWJBCLTGRRFU-XZOQPEGZSA-N 2 1 383.511 3.738 20 0 GHADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1n1cccn1 ZINC000449657073 875191079 /nfs/dbraw/zinc/19/10/79/875191079.db2.gz NNNNODCJAJPVSK-ZLNRFVROSA-N 2 1 396.579 3.677 20 0 GHADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(Cc4ccccc4)CCOCC3)sc2C1 ZINC000449717021 875284086 /nfs/dbraw/zinc/28/40/86/875284086.db2.gz MGRYIGZQQFTVIU-UHFFFAOYSA-N 2 1 385.577 3.791 20 0 GHADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(Cc4ccccc4)CCOCC3)sc2C1 ZINC000449717021 875284091 /nfs/dbraw/zinc/28/40/91/875284091.db2.gz MGRYIGZQQFTVIU-UHFFFAOYSA-N 2 1 385.577 3.791 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@@H](c4ccc(Cl)cc4)C3)cn2)CC1 ZINC000449729902 875294565 /nfs/dbraw/zinc/29/45/65/875294565.db2.gz CGNPMWPEJMWTOW-CTNGQTDRSA-N 2 1 399.970 3.698 20 0 GHADMP Cc1cc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1Br ZINC000303223327 875299871 /nfs/dbraw/zinc/29/98/71/875299871.db2.gz VXHRHVHIHVVORY-UHFFFAOYSA-N 2 1 394.357 3.504 20 0 GHADMP CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[NH+]1CCCCC1 ZINC000465200395 875311992 /nfs/dbraw/zinc/31/19/92/875311992.db2.gz PWIQVQJKNYGBJB-KNQAVFIVSA-N 2 1 387.568 3.856 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[NH+]2C)CC1 ZINC000528957763 875343186 /nfs/dbraw/zinc/34/31/86/875343186.db2.gz OOWQVAYMKKJOMG-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000528957763 875343202 /nfs/dbraw/zinc/34/32/02/875343202.db2.gz OOWQVAYMKKJOMG-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000528957763 875343218 /nfs/dbraw/zinc/34/32/18/875343218.db2.gz OOWQVAYMKKJOMG-FGZHOGPDSA-N 2 1 383.580 3.622 20 0 GHADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)CC1 ZINC000542384427 875480875 /nfs/dbraw/zinc/48/08/75/875480875.db2.gz QDJNYFBNLNQNSS-LEWJYISDSA-N 2 1 398.595 3.684 20 0 GHADMP Cc1cc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c2c(n1)CCCC2 ZINC001201209203 875562881 /nfs/dbraw/zinc/56/28/81/875562881.db2.gz HNJIVRNRMMVVQK-LJQANCHMSA-N 2 1 392.547 3.578 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+](CC2CCCCC2)CC1 ZINC001201394148 875658264 /nfs/dbraw/zinc/65/82/64/875658264.db2.gz QSILBHAWNJRNSP-UHFFFAOYSA-N 2 1 383.580 3.817 20 0 GHADMP CSc1cccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000450059049 875878345 /nfs/dbraw/zinc/87/83/45/875878345.db2.gz JDBSGDPWSGXEFC-UHFFFAOYSA-N 2 1 389.609 3.677 20 0 GHADMP CC(C)c1ncsc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450060499 875879408 /nfs/dbraw/zinc/87/94/08/875879408.db2.gz NAAFMACQBYWBIS-UHFFFAOYSA-N 2 1 392.613 3.535 20 0 GHADMP Cc1nc(F)ccc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000785507698 876080103 /nfs/dbraw/zinc/08/01/03/876080103.db2.gz FVZIUZQEWXZWEE-HDICACEKSA-N 2 1 385.527 3.828 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000542495118 883005783 /nfs/dbraw/zinc/00/57/83/883005783.db2.gz UWINMKFZOGCSCK-YVHKJVDXSA-N 2 1 389.490 3.928 20 0 GHADMP Cc1nn2c(C[NH+]3CCC(CC[N@H+]4CCCC[C@@H]4C)CC3)c(C)nc2s1 ZINC000537659019 883007881 /nfs/dbraw/zinc/00/78/81/883007881.db2.gz PUVUJFWYWDPDAW-HNNXBMFYSA-N 2 1 375.586 3.884 20 0 GHADMP Cc1nn2c(C[NH+]3CCC(CC[N@@H+]4CCCC[C@@H]4C)CC3)c(C)nc2s1 ZINC000537659019 883007899 /nfs/dbraw/zinc/00/78/99/883007899.db2.gz PUVUJFWYWDPDAW-HNNXBMFYSA-N 2 1 375.586 3.884 20 0 GHADMP CC(C)[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000173327485 876322826 /nfs/dbraw/zinc/32/28/26/876322826.db2.gz CQJOZTSHPDHFSI-MJGOQNOKSA-N 2 1 380.602 3.549 20 0 GHADMP C[C@@H](c1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394539 876350233 /nfs/dbraw/zinc/35/02/33/876350233.db2.gz RTGYRJVDSBUZGM-FXAWDEMLSA-N 2 1 383.502 3.954 20 0 GHADMP C[C@@H](c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394539 876350237 /nfs/dbraw/zinc/35/02/37/876350237.db2.gz RTGYRJVDSBUZGM-FXAWDEMLSA-N 2 1 383.502 3.954 20 0 GHADMP C[C@@H](c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1)C(F)(F)F ZINC000450394539 876350250 /nfs/dbraw/zinc/35/02/50/876350250.db2.gz RTGYRJVDSBUZGM-FXAWDEMLSA-N 2 1 383.502 3.954 20 0 GHADMP CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2C1 ZINC000850035684 876619969 /nfs/dbraw/zinc/61/99/69/876619969.db2.gz ZVXXAXPYAYCJIT-RTWAWAEBSA-N 2 1 385.552 3.696 20 0 GHADMP CCC[N@H+](Cc1nnc(C(C)C)s1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000450567494 876628484 /nfs/dbraw/zinc/62/84/84/876628484.db2.gz UBOMIFXGJUKFJJ-UHFFFAOYSA-N 2 1 388.585 3.949 20 0 GHADMP CCC[N@@H+](Cc1nnc(C(C)C)s1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000450567494 876628494 /nfs/dbraw/zinc/62/84/94/876628494.db2.gz UBOMIFXGJUKFJJ-UHFFFAOYSA-N 2 1 388.585 3.949 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1)C(C)C ZINC000638562800 883051710 /nfs/dbraw/zinc/05/17/10/883051710.db2.gz ZLISTJZDANJDRU-MSOLQXFVSA-N 2 1 385.474 3.516 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000492464111 876873060 /nfs/dbraw/zinc/87/30/60/876873060.db2.gz KGLXJJLNFYYMNQ-QUCCMNQESA-N 2 1 381.520 3.524 20 0 GHADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000492464111 876873071 /nfs/dbraw/zinc/87/30/71/876873071.db2.gz KGLXJJLNFYYMNQ-QUCCMNQESA-N 2 1 381.520 3.524 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000850471903 876949870 /nfs/dbraw/zinc/94/98/70/876949870.db2.gz UMBAFRKJZWERAE-ITAUSPCMSA-N 2 1 387.568 3.936 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000850562126 877028684 /nfs/dbraw/zinc/02/86/84/877028684.db2.gz QZMDNYGGIQPMCH-ITAUSPCMSA-N 2 1 399.579 3.936 20 0 GHADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000174526006 877074814 /nfs/dbraw/zinc/07/48/14/877074814.db2.gz ZCLQEJBVTZRDJO-XLIONFOSSA-N 2 1 392.613 3.695 20 0 GHADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000530126791 877146795 /nfs/dbraw/zinc/14/67/95/877146795.db2.gz WJOUIZXOXWHESV-HSZRJFAPSA-N 2 1 395.547 3.935 20 0 GHADMP C[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc2ccccc2c1 ZINC000134910435 883105080 /nfs/dbraw/zinc/10/50/80/883105080.db2.gz FHKKKHLKKNAJEO-KUWBRRTOSA-N 2 1 391.559 3.966 20 0 GHADMP O[C@H](COc1ccc(F)cc1)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475749862 883108004 /nfs/dbraw/zinc/10/80/04/883108004.db2.gz RPHBLBRNEDGUMC-LADGPHEKSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475749862 883108012 /nfs/dbraw/zinc/10/80/12/883108012.db2.gz RPHBLBRNEDGUMC-LADGPHEKSA-N 2 1 398.522 3.554 20 0 GHADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475749862 883108017 /nfs/dbraw/zinc/10/80/17/883108017.db2.gz RPHBLBRNEDGUMC-LADGPHEKSA-N 2 1 398.522 3.554 20 0 GHADMP CCC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000136576927 877262087 /nfs/dbraw/zinc/26/20/87/877262087.db2.gz SACFKCXXAZLUCJ-SIKLNZKXSA-N 2 1 386.584 3.728 20 0 GHADMP FC(F)(F)Cn1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000451058901 877294677 /nfs/dbraw/zinc/29/46/77/877294677.db2.gz BIANTHNDEDTKRD-UHFFFAOYSA-N 2 1 392.469 3.934 20 0 GHADMP Cc1ccccc1[C@H](C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000551566140 877446446 /nfs/dbraw/zinc/44/64/46/877446446.db2.gz YZWBXOIUAGILCV-FQEVSTJZSA-N 2 1 381.568 3.756 20 0 GHADMP Cc1ccccc1[C@H](C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)CC(C)C ZINC000551566140 877446454 /nfs/dbraw/zinc/44/64/54/877446454.db2.gz YZWBXOIUAGILCV-FQEVSTJZSA-N 2 1 381.568 3.756 20 0 GHADMP c1nn([C@H]2CC[N@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)C2)c2ccccc12 ZINC000551701418 877669509 /nfs/dbraw/zinc/66/95/09/877669509.db2.gz AIQSJHSIZGUSDD-XZOQPEGZSA-N 2 1 390.531 3.574 20 0 GHADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237609153 877679511 /nfs/dbraw/zinc/67/95/11/877679511.db2.gz ZGGUOTDSPIIZOX-CALCHBBNSA-N 2 1 390.959 3.813 20 0 GHADMP CC[C@@H]1[C@H](CO)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)c1 ZINC000451276226 877698438 /nfs/dbraw/zinc/69/84/38/877698438.db2.gz ZWSAFZGXVWTHIF-SEIRJHJZSA-N 2 1 394.987 3.526 20 0 GHADMP c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000551722884 877715558 /nfs/dbraw/zinc/71/55/58/877715558.db2.gz RSCWFVUBULRQKG-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCC[C@H]1[C@H]1CCCO1 ZINC000551722884 877715570 /nfs/dbraw/zinc/71/55/70/877715570.db2.gz RSCWFVUBULRQKG-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C[NH+]1CCC[C@H]1[C@H]1CCCO1 ZINC000551722884 877715576 /nfs/dbraw/zinc/71/55/76/877715576.db2.gz RSCWFVUBULRQKG-NVPYSNMXSA-N 2 1 384.564 3.973 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245422192 877851381 /nfs/dbraw/zinc/85/13/81/877851381.db2.gz INIABKTWSAEKNP-YOSAUDMPSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245422192 877851392 /nfs/dbraw/zinc/85/13/92/877851392.db2.gz INIABKTWSAEKNP-YOSAUDMPSA-N 2 1 391.559 3.849 20 0 GHADMP C[C@@H](CCNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175840697 877933021 /nfs/dbraw/zinc/93/30/21/877933021.db2.gz DREYSWRAWOYLJC-IBGZPJMESA-N 2 1 386.584 3.603 20 0 GHADMP CC(CN1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245496627 877978325 /nfs/dbraw/zinc/97/83/25/877978325.db2.gz RVGJLOKLDRQYBA-LWSSLDFYSA-N 2 1 390.660 3.517 20 0 GHADMP COc1cc(OC)cc([C@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000788604694 878201842 /nfs/dbraw/zinc/20/18/42/878201842.db2.gz VLJRECKEMSMSCF-SLXFGWRHSA-N 2 1 398.547 3.770 20 0 GHADMP C[C@H](CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+](C)Cc1ccccc1 ZINC000788614295 878211679 /nfs/dbraw/zinc/21/16/79/878211679.db2.gz UNENYNOTEUXKOG-GOSISDBHSA-N 2 1 387.568 3.886 20 0 GHADMP CCc1ccc(C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000530690632 878294821 /nfs/dbraw/zinc/29/48/21/878294821.db2.gz NGOXAOGBOCNQNX-UHFFFAOYSA-N 2 1 393.575 3.709 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000616078851 878480907 /nfs/dbraw/zinc/48/09/07/878480907.db2.gz AJRMGPBLGMOOJM-IBGZPJMESA-N 2 1 380.602 3.504 20 0 GHADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000530831237 878567869 /nfs/dbraw/zinc/56/78/69/878567869.db2.gz BLOKIZOIEQCDHI-ZDUSSCGKSA-N 2 1 393.318 3.882 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000537975192 878610566 /nfs/dbraw/zinc/61/05/66/878610566.db2.gz FLWXCZPXIWVNAN-FYYLOGMGSA-N 2 1 385.596 3.522 20 0 GHADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000537989674 878631651 /nfs/dbraw/zinc/63/16/51/878631651.db2.gz CGOGYJLPUBHXRP-UTTDKNERSA-N 2 1 376.544 3.984 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000245879176 878690623 /nfs/dbraw/zinc/69/06/23/878690623.db2.gz AXAKXRUWUWQEIG-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000245879176 878690630 /nfs/dbraw/zinc/69/06/30/878690630.db2.gz AXAKXRUWUWQEIG-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000245879176 878690636 /nfs/dbraw/zinc/69/06/36/878690636.db2.gz AXAKXRUWUWQEIG-UEVCKROQSA-N 2 1 398.595 3.687 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000177492501 878729649 /nfs/dbraw/zinc/72/96/49/878729649.db2.gz VAMFSUCFHSEBBY-UHFFFAOYSA-N 2 1 392.547 3.980 20 0 GHADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000245923422 878752372 /nfs/dbraw/zinc/75/23/72/878752372.db2.gz HFIZWDIUHFDNRB-GOTSBHOMSA-N 2 1 398.595 3.688 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cn1cccn1 ZINC000853240279 878924907 /nfs/dbraw/zinc/92/49/07/878924907.db2.gz OLJNDUJSLWBVIV-QUCCMNQESA-N 2 1 382.552 3.713 20 0 GHADMP CC(C)(C)[C@@]1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC[NH+](Cc2ccccc2)C1 ZINC001183301489 912408630 /nfs/dbraw/zinc/40/86/30/912408630.db2.gz WHIGSIAGGUOPEG-VJNNQTCJSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC[NH+](Cc2ccccc2)C1 ZINC001183301489 912408641 /nfs/dbraw/zinc/40/86/41/912408641.db2.gz WHIGSIAGGUOPEG-VJNNQTCJSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC[N@H+](Cc2ccccc2)C1 ZINC001183301489 912408652 /nfs/dbraw/zinc/40/86/52/912408652.db2.gz WHIGSIAGGUOPEG-VJNNQTCJSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)(C)[C@@]1(C[NH+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001183301489 912408660 /nfs/dbraw/zinc/40/86/60/912408660.db2.gz WHIGSIAGGUOPEG-VJNNQTCJSA-N 2 1 388.621 3.910 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000178606730 879157197 /nfs/dbraw/zinc/15/71/97/879157197.db2.gz VVIRIJSGCOZUAB-PKTZIBPZSA-N 2 1 383.580 3.620 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CCCC1)c1ccccc1 ZINC000246290038 879353252 /nfs/dbraw/zinc/35/32/52/879353252.db2.gz KUUMQIZSAXKSKD-IRFCIJBXSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246344095 879432948 /nfs/dbraw/zinc/43/29/48/879432948.db2.gz FATNQZLGEIPXDF-RCZSKKKRSA-N 2 1 398.595 3.774 20 0 GHADMP CC1(C)C[N@@H+](C[C@@H]2CN(C3CC3)C(=O)O2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000854045487 879472256 /nfs/dbraw/zinc/47/22/56/879472256.db2.gz ZHIRSAQXWFAUIF-FGZHOGPDSA-N 2 1 397.563 3.592 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000246722562 879775027 /nfs/dbraw/zinc/77/50/27/879775027.db2.gz FTWWVTJGRBDMNO-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000246722562 879775040 /nfs/dbraw/zinc/77/50/40/879775040.db2.gz FTWWVTJGRBDMNO-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000246722562 879775048 /nfs/dbraw/zinc/77/50/48/879775048.db2.gz FTWWVTJGRBDMNO-WTIAFYNJSA-N 2 1 398.595 3.544 20 0 GHADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246824018 879816228 /nfs/dbraw/zinc/81/62/28/879816228.db2.gz NWAGABQCTMBUHD-ZVEOBBNSSA-N 2 1 383.580 3.763 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000531427575 879816533 /nfs/dbraw/zinc/81/65/33/879816533.db2.gz KTWNQCBCUSADNR-REWPJTCUSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000531427575 879816546 /nfs/dbraw/zinc/81/65/46/879816546.db2.gz KTWNQCBCUSADNR-REWPJTCUSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000531427575 879816561 /nfs/dbraw/zinc/81/65/61/879816561.db2.gz KTWNQCBCUSADNR-REWPJTCUSA-N 2 1 391.559 3.951 20 0 GHADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CCc3ccccc32)CC[NH+]1Cc1ccccc1 ZINC000531427575 879816566 /nfs/dbraw/zinc/81/65/66/879816566.db2.gz KTWNQCBCUSADNR-REWPJTCUSA-N 2 1 391.559 3.951 20 0 GHADMP CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139884607 879825623 /nfs/dbraw/zinc/82/56/23/879825623.db2.gz MPGSZTJASWIWSL-DYESRHJHSA-N 2 1 381.520 3.636 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000246984469 879873517 /nfs/dbraw/zinc/87/35/17/879873517.db2.gz JWKBMSJCECOPKN-YKTARERQSA-N 2 1 380.374 3.594 20 0 GHADMP C[C@H](C(=O)Nc1cccc2ncccc21)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247059905 879904790 /nfs/dbraw/zinc/90/47/90/879904790.db2.gz ZRFUZNJENHLAMG-JLHGSKIFSA-N 2 1 378.520 3.511 20 0 GHADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000247080133 879911125 /nfs/dbraw/zinc/91/11/25/879911125.db2.gz OUFGDYIEBJCNIK-QZTJIDSGSA-N 2 1 381.586 3.611 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000247133702 879927118 /nfs/dbraw/zinc/92/71/18/879927118.db2.gz RVCBULGFAYZFHH-RBUKOAKNSA-N 2 1 390.535 3.745 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000247423214 879995706 /nfs/dbraw/zinc/99/57/06/879995706.db2.gz VDSDIFWFKZAAMG-FCHUYYIVSA-N 2 1 392.632 3.939 20 0 GHADMP C[NH+](C)C1CCN(c2ccc(NC(=O)CC[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000791141836 880220779 /nfs/dbraw/zinc/22/07/79/880220779.db2.gz XJKPOEPIXGOGDZ-UHFFFAOYSA-N 2 1 386.584 3.810 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3nnc4n3CCCCC4)[C@@H]3CCC[C@H]32)cc1 ZINC000453059051 880410541 /nfs/dbraw/zinc/41/05/41/880410541.db2.gz AMQGNLMYDQPJED-FDFHNCONSA-N 2 1 393.579 3.580 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3nnc4n3CCCCC4)[C@@H]3CCC[C@@H]32)cc1 ZINC000453059054 880411051 /nfs/dbraw/zinc/41/10/51/880411051.db2.gz AMQGNLMYDQPJED-FKBYEOEOSA-N 2 1 393.579 3.580 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H](NCC3([NH+]4CCCC4)CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453094924 880459307 /nfs/dbraw/zinc/45/93/07/880459307.db2.gz GOWBUIWXSOCMPP-HJOGWXRNSA-N 2 1 397.607 3.664 20 0 GHADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000453096984 880463064 /nfs/dbraw/zinc/46/30/64/880463064.db2.gz VYPXQUKAKQXCNY-ZRBLBEILSA-N 2 1 377.532 3.579 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c(C(F)(F)F)n1 ZINC000453176453 880543191 /nfs/dbraw/zinc/54/31/91/880543191.db2.gz QUVYCKDXTRBZDC-IPMKNSEASA-N 2 1 392.469 3.972 20 0 GHADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c(C(F)(F)F)n1 ZINC000453176453 880543203 /nfs/dbraw/zinc/54/32/03/880543203.db2.gz QUVYCKDXTRBZDC-IPMKNSEASA-N 2 1 392.469 3.972 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC4(CCOCC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453158521 880555833 /nfs/dbraw/zinc/55/58/33/880555833.db2.gz KADRPIGUPZHLAM-LUKWVAJMSA-N 2 1 384.564 3.747 20 0 GHADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CCCO1 ZINC000453218940 880637853 /nfs/dbraw/zinc/63/78/53/880637853.db2.gz SKDFOVJOLRLIJQ-JRGCBEDISA-N 2 1 380.960 3.521 20 0 GHADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH+](C)CC1 ZINC000453263373 880697548 /nfs/dbraw/zinc/69/75/48/880697548.db2.gz YZDZJUWLGNUJAG-BDTNDASRSA-N 3 1 387.637 3.847 20 0 GHADMP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH+](C)CC1 ZINC000453263373 880697556 /nfs/dbraw/zinc/69/75/56/880697556.db2.gz YZDZJUWLGNUJAG-BDTNDASRSA-N 2 1 387.637 3.847 20 0 GHADMP CC(C)(C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(N)=O ZINC000453291753 880738000 /nfs/dbraw/zinc/73/80/00/880738000.db2.gz VOSUNDDGPJJQFB-IZCSPVGOSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(N)=O ZINC000453291753 880738016 /nfs/dbraw/zinc/73/80/16/880738016.db2.gz VOSUNDDGPJJQFB-IZCSPVGOSA-N 2 1 383.580 3.796 20 0 GHADMP CC(C)(C[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(N)=O ZINC000453291753 880738018 /nfs/dbraw/zinc/73/80/18/880738018.db2.gz VOSUNDDGPJJQFB-IZCSPVGOSA-N 2 1 383.580 3.796 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000531945763 880763989 /nfs/dbraw/zinc/76/39/89/880763989.db2.gz GAWVHUMCEYSQLE-URXFXBBRSA-N 3 1 387.612 3.899 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000531945763 880763996 /nfs/dbraw/zinc/76/39/96/880763996.db2.gz GAWVHUMCEYSQLE-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000531945763 880764003 /nfs/dbraw/zinc/76/40/03/880764003.db2.gz GAWVHUMCEYSQLE-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000531945763 880764009 /nfs/dbraw/zinc/76/40/09/880764009.db2.gz GAWVHUMCEYSQLE-URXFXBBRSA-N 2 1 387.612 3.899 20 0 GHADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCO1 ZINC000453378771 880863820 /nfs/dbraw/zinc/86/38/20/880863820.db2.gz ADWPZQUFXJDVLF-JLMDMGSGSA-N 2 1 394.563 3.673 20 0 GHADMP C[C@H]([NH2+]CCC(=O)Nc1ccc(N(C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792279556 881011206 /nfs/dbraw/zinc/01/12/06/881011206.db2.gz CYZXPWRQAWSWAU-FPOVZHCZSA-N 2 1 394.563 3.581 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000747063774 881017322 /nfs/dbraw/zinc/01/73/22/881017322.db2.gz HTPQVYPNJIBPKQ-OAQYLSRUSA-N 2 1 388.625 3.511 20 0 GHADMP COc1c(Br)cccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000187047694 881058869 /nfs/dbraw/zinc/05/88/69/881058869.db2.gz UGQJROUJAHDRIO-UHFFFAOYSA-N 2 1 397.357 3.535 20 0 GHADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1C(F)(F)F ZINC001170193625 881203497 /nfs/dbraw/zinc/20/34/97/881203497.db2.gz IEZUEYSYIZGKFT-UHFFFAOYSA-N 2 1 391.481 3.955 20 0 GHADMP Fc1ccc(COc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)c2)cc1 ZINC000119893698 881203668 /nfs/dbraw/zinc/20/36/68/881203668.db2.gz NFAMVLQJFXCMFV-OAQYLSRUSA-N 2 1 398.522 3.995 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170271375 881286918 /nfs/dbraw/zinc/28/69/18/881286918.db2.gz BSCJOZZRSNFTFT-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170271375 881286935 /nfs/dbraw/zinc/28/69/35/881286935.db2.gz BSCJOZZRSNFTFT-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170271375 881286943 /nfs/dbraw/zinc/28/69/43/881286943.db2.gz BSCJOZZRSNFTFT-PIPMEXSNSA-N 2 1 376.972 3.951 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000182805207 883219844 /nfs/dbraw/zinc/21/98/44/883219844.db2.gz FBKITWLACOWHBB-CVDCTZTESA-N 2 1 396.604 3.953 20 0 GHADMP C[C@@H](Cc1cccc(F)c1)[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001168468777 883463757 /nfs/dbraw/zinc/46/37/57/883463757.db2.gz OHKKTEMIHJJMBF-KRWDZBQOSA-N 2 1 381.536 3.583 20 0 GHADMP Cc1c(Br)cc(C[NH2+]C2CC[NH+](C)CC2)cc1Br ZINC000551225289 883498016 /nfs/dbraw/zinc/49/80/16/883498016.db2.gz PQYOYRJKSUNFEE-UHFFFAOYSA-N 2 1 376.136 3.704 20 0 GHADMP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476981187 883499462 /nfs/dbraw/zinc/49/94/62/883499462.db2.gz GXHMEWURCLABEF-SFTDATJTSA-N 2 1 397.607 3.936 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COCc2ccccc2F)CC1 ZINC000476983265 883500542 /nfs/dbraw/zinc/50/05/42/883500542.db2.gz KSURCKOAMONVST-DENIHFKCSA-N 2 1 392.559 3.680 20 0 GHADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H]2CCCO[C@@H]21 ZINC000551265611 883575917 /nfs/dbraw/zinc/57/59/17/883575917.db2.gz WPHNVXSYJXROGL-ODAXIHTASA-N 2 1 398.591 3.708 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000859211925 883664526 /nfs/dbraw/zinc/66/45/26/883664526.db2.gz CVHCVYOXNZOIKB-HXUWFJFHSA-N 2 1 375.557 3.827 20 0 GHADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000859213124 883665911 /nfs/dbraw/zinc/66/59/11/883665911.db2.gz RVKJQYUVLBZSJT-JTSKRJEESA-N 2 1 383.511 3.681 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000859213505 883667184 /nfs/dbraw/zinc/66/71/84/883667184.db2.gz WFYDORKSXIOXFZ-UHFFFAOYSA-N 2 1 394.563 3.809 20 0 GHADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000859213505 883667192 /nfs/dbraw/zinc/66/71/92/883667192.db2.gz WFYDORKSXIOXFZ-UHFFFAOYSA-N 2 1 394.563 3.809 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(Br)cs1 ZINC000194116067 883683250 /nfs/dbraw/zinc/68/32/50/883683250.db2.gz PHMJVXKSTSWADU-MAZHCROVSA-N 2 1 387.387 3.929 20 0 GHADMP CC1(C)C[C@@H](O)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000859326424 883745380 /nfs/dbraw/zinc/74/53/80/883745380.db2.gz NQUWAIGZQAAACM-PMACEKPBSA-N 2 1 398.708 3.661 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000465434681 883755055 /nfs/dbraw/zinc/75/50/55/883755055.db2.gz RPCWBPDQPWHIIO-PZJWPPBQSA-N 2 1 396.579 3.958 20 0 GHADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000130092350 884163292 /nfs/dbraw/zinc/16/32/92/884163292.db2.gz OGUWVSDLZQCOPS-IBGZPJMESA-N 2 1 380.536 3.874 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)c1 ZINC000498372703 884199669 /nfs/dbraw/zinc/19/96/69/884199669.db2.gz IJEFOGWXKXVSLP-DHIUTWEWSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000498372703 884199677 /nfs/dbraw/zinc/19/96/77/884199677.db2.gz IJEFOGWXKXVSLP-DHIUTWEWSA-N 2 1 377.532 3.675 20 0 GHADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000498372703 884199690 /nfs/dbraw/zinc/19/96/90/884199690.db2.gz IJEFOGWXKXVSLP-DHIUTWEWSA-N 2 1 377.532 3.675 20 0 GHADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000859995560 884249627 /nfs/dbraw/zinc/24/96/27/884249627.db2.gz SWOFQULESPFDOI-FQEVSTJZSA-N 2 1 375.557 3.827 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000105464736 884789317 /nfs/dbraw/zinc/78/93/17/884789317.db2.gz BNONEOLBCLGAFO-INIZCTEOSA-N 2 1 385.483 3.547 20 0 GHADMP Cc1ccccc1CN(C)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460350316 884934402 /nfs/dbraw/zinc/93/44/02/884934402.db2.gz KBKDCMORZGDDHI-NHCUHLMSSA-N 2 1 393.575 3.700 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000130769749 885105784 /nfs/dbraw/zinc/10/57/84/885105784.db2.gz KHBUTNPHRCXIEB-ZWKOTPCHSA-N 2 1 378.520 3.933 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000130769749 885105786 /nfs/dbraw/zinc/10/57/86/885105786.db2.gz KHBUTNPHRCXIEB-ZWKOTPCHSA-N 2 1 378.520 3.933 20 0 GHADMP Brc1cncc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000655766095 885331284 /nfs/dbraw/zinc/33/12/84/885331284.db2.gz MKOIPJMTYVBFFB-RTBURBONSA-N 2 1 394.357 3.528 20 0 GHADMP c1cc2c(cccc2-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)o1 ZINC001211916381 885345750 /nfs/dbraw/zinc/34/57/50/885345750.db2.gz QKYPJMSYAKCKEE-IBGZPJMESA-N 2 1 386.455 3.672 20 0 GHADMP c1cc2c(cccc2-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)o1 ZINC001211916381 885345769 /nfs/dbraw/zinc/34/57/69/885345769.db2.gz QKYPJMSYAKCKEE-IBGZPJMESA-N 2 1 386.455 3.672 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000550622310 885565041 /nfs/dbraw/zinc/56/50/41/885565041.db2.gz SPLUKVWLROPGRJ-MOPGFXCFSA-N 2 1 392.469 3.749 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)C[C@H]1c1ccccc1 ZINC000550622310 885565053 /nfs/dbraw/zinc/56/50/53/885565053.db2.gz SPLUKVWLROPGRJ-MOPGFXCFSA-N 2 1 392.469 3.749 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)cn2)n1 ZINC000550624332 885596596 /nfs/dbraw/zinc/59/65/96/885596596.db2.gz POEOGLXRHVWASH-VXKWHMMOSA-N 2 1 375.520 3.809 20 0 GHADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)cn2)n1 ZINC000550624332 885596607 /nfs/dbraw/zinc/59/66/07/885596607.db2.gz POEOGLXRHVWASH-VXKWHMMOSA-N 2 1 375.520 3.809 20 0 GHADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000303595513 885640853 /nfs/dbraw/zinc/64/08/53/885640853.db2.gz TYHAQXVYQCYETJ-UHFFFAOYSA-N 2 1 381.948 3.731 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000303595513 885640858 /nfs/dbraw/zinc/64/08/58/885640858.db2.gz TYHAQXVYQCYETJ-UHFFFAOYSA-N 2 1 381.948 3.731 20 0 GHADMP CC(C)[NH+](CCS[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000762204085 885689046 /nfs/dbraw/zinc/68/90/46/885689046.db2.gz PTRMNLITRLNNBI-TZIWHRDSSA-N 2 1 391.625 3.618 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCCc1cccs1 ZINC000495509921 885978998 /nfs/dbraw/zinc/97/89/98/885978998.db2.gz AAMABTFXMVCECB-RBUKOAKNSA-N 2 1 399.604 3.960 20 0 GHADMP CCOC(=O)c1cccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000862261577 886265295 /nfs/dbraw/zinc/26/52/95/886265295.db2.gz AHKOWAQNQLHKLS-UHFFFAOYSA-N 2 1 396.535 3.648 20 0 GHADMP C[C@@H]([NH2+]C(C)(C)CNc1ncnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000119310492 886578764 /nfs/dbraw/zinc/57/87/64/886578764.db2.gz HOBOJNJMMZTURT-MRXNPFEDSA-N 2 1 387.491 3.752 20 0 GHADMP Brc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)s1 ZINC001137641059 886581168 /nfs/dbraw/zinc/58/11/68/886581168.db2.gz DHQAQMFNOIBOTM-UHFFFAOYSA-N 2 1 387.387 3.835 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000537616599 886660774 /nfs/dbraw/zinc/66/07/74/886660774.db2.gz QLRUKKSOSRVGQL-HSZRJFAPSA-N 3 1 384.612 3.669 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000537616599 886660785 /nfs/dbraw/zinc/66/07/85/886660785.db2.gz QLRUKKSOSRVGQL-HSZRJFAPSA-N 3 1 384.612 3.669 20 0 GHADMP CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132058889 886660868 /nfs/dbraw/zinc/66/08/68/886660868.db2.gz RHJFZENOSGIJJF-HXUWFJFHSA-N 2 1 379.548 3.678 20 0 GHADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000556925781 886715141 /nfs/dbraw/zinc/71/51/41/886715141.db2.gz CCWPQGYXOHMFKH-UHFFFAOYSA-N 2 1 388.581 3.776 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762737750 886774212 /nfs/dbraw/zinc/77/42/12/886774212.db2.gz KMFSFKLXAABXRT-LAUBAEHRSA-N 2 1 395.950 3.854 20 0 GHADMP c1c(C[NH2+][C@H]2CCCc3ccccc32)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000864630231 887896206 /nfs/dbraw/zinc/89/62/06/887896206.db2.gz JYFMUWBKAXHLOU-VWNXMTODSA-N 2 1 387.531 3.892 20 0 GHADMP c1c(C[NH2+][C@H]2CCCc3ccccc32)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864630231 887896214 /nfs/dbraw/zinc/89/62/14/887896214.db2.gz JYFMUWBKAXHLOU-VWNXMTODSA-N 2 1 387.531 3.892 20 0 GHADMP c1c(C[NH2+][C@H]2CCCc3ccccc32)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000864630229 887896389 /nfs/dbraw/zinc/89/63/89/887896389.db2.gz JYFMUWBKAXHLOU-UPVQGACJSA-N 2 1 387.531 3.892 20 0 GHADMP c1c(C[NH2+][C@H]2CCCc3ccccc32)nnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000864630229 887896392 /nfs/dbraw/zinc/89/63/92/887896392.db2.gz JYFMUWBKAXHLOU-UPVQGACJSA-N 2 1 387.531 3.892 20 0 GHADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001184405697 913193611 /nfs/dbraw/zinc/19/36/11/913193611.db2.gz LYTODGFKCDYSPY-KRWDZBQOSA-N 2 1 382.895 3.516 20 0 GHADMP O=C(NCc1[nH+]cn2ccccc12)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184405697 913193621 /nfs/dbraw/zinc/19/36/21/913193621.db2.gz LYTODGFKCDYSPY-KRWDZBQOSA-N 2 1 382.895 3.516 20 0 GHADMP CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000809948790 888014455 /nfs/dbraw/zinc/01/44/55/888014455.db2.gz MYJSZNNFZUFZEK-VAMGGRTRSA-N 2 1 379.589 3.735 20 0 GHADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809950076 888017552 /nfs/dbraw/zinc/01/75/52/888017552.db2.gz CBAHBFGJIJXSJC-VAMGGRTRSA-N 2 1 381.605 3.981 20 0 GHADMP CCC[N@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000810259198 888322357 /nfs/dbraw/zinc/32/23/57/888322357.db2.gz FBEMTHSXBHORAB-WCIQWLHISA-N 2 1 397.604 3.501 20 0 GHADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000810259198 888322369 /nfs/dbraw/zinc/32/23/69/888322369.db2.gz FBEMTHSXBHORAB-WCIQWLHISA-N 2 1 397.604 3.501 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4c(cc[nH]c4=O)o3)CC2)cs1 ZINC000865458980 888365763 /nfs/dbraw/zinc/36/57/63/888365763.db2.gz RXQQVSPPABYHDY-UHFFFAOYSA-N 2 1 386.521 3.554 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810279516 888377701 /nfs/dbraw/zinc/37/77/01/888377701.db2.gz YXOLGNJQLKDPTK-OAQYLSRUSA-N 2 1 393.572 3.695 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000810375283 888469270 /nfs/dbraw/zinc/46/92/70/888469270.db2.gz BRNMKCXCDZZCSF-QRFRQXIXSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000810375283 888469275 /nfs/dbraw/zinc/46/92/75/888469275.db2.gz BRNMKCXCDZZCSF-QRFRQXIXSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000810375283 888469280 /nfs/dbraw/zinc/46/92/80/888469280.db2.gz BRNMKCXCDZZCSF-QRFRQXIXSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC000810375283 888469284 /nfs/dbraw/zinc/46/92/84/888469284.db2.gz BRNMKCXCDZZCSF-QRFRQXIXSA-N 2 1 377.960 3.541 20 0 GHADMP C[C@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000810662839 888750016 /nfs/dbraw/zinc/75/00/16/888750016.db2.gz ICEYIDWBQVUXFX-KPLVRAHFSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H](OC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000810662839 888750024 /nfs/dbraw/zinc/75/00/24/888750024.db2.gz ICEYIDWBQVUXFX-KPLVRAHFSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H](OC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810662839 888750030 /nfs/dbraw/zinc/75/00/30/888750030.db2.gz ICEYIDWBQVUXFX-KPLVRAHFSA-N 2 1 376.516 3.653 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866306727 888822819 /nfs/dbraw/zinc/82/28/19/888822819.db2.gz LYEPJYADHYCTFW-IAOVAPTHSA-N 2 1 377.916 3.900 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000123346980 888826953 /nfs/dbraw/zinc/82/69/53/888826953.db2.gz AWQHVDNFSPBGFA-GCJKJVERSA-N 2 1 395.551 3.902 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000866548139 888928277 /nfs/dbraw/zinc/92/82/77/888928277.db2.gz KNPFSHSTEPNQIX-VMXMFDLUSA-N 2 1 387.568 3.790 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868184289 889340300 /nfs/dbraw/zinc/34/03/00/889340300.db2.gz LYBFHKIFUNVOKZ-ZIPUMODLSA-N 2 1 378.520 3.533 20 0 GHADMP CC(CN1CCC[C@@H]1C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000124456077 889638482 /nfs/dbraw/zinc/63/84/82/889638482.db2.gz ZBLHBQULKROUOL-DNQXCXABSA-N 2 1 390.660 3.523 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000122326514 889645040 /nfs/dbraw/zinc/64/50/40/889645040.db2.gz DAFPPTTXVOLZQR-PWRODBHTSA-N 2 1 387.568 3.586 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC000795046881 889698519 /nfs/dbraw/zinc/69/85/19/889698519.db2.gz WVAUNURSFXHJHX-VJBWXMMDSA-N 2 1 399.579 3.888 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000064228993 889876273 /nfs/dbraw/zinc/87/62/73/889876273.db2.gz CDSWOMROAJLDJX-UHFFFAOYSA-N 2 1 386.584 3.592 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)cs1 ZINC000245940840 890050062 /nfs/dbraw/zinc/05/00/62/890050062.db2.gz UWKGULCIIMUPGG-DFQSSKMNSA-N 2 1 377.598 3.711 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000465538263 890191823 /nfs/dbraw/zinc/19/18/23/890191823.db2.gz GTNGVKOBERWILB-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000465538263 890191833 /nfs/dbraw/zinc/19/18/33/890191833.db2.gz GTNGVKOBERWILB-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@H](CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000465538263 890191838 /nfs/dbraw/zinc/19/18/38/890191838.db2.gz GTNGVKOBERWILB-NJDAHSKKSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000870890301 890566888 /nfs/dbraw/zinc/56/68/88/890566888.db2.gz LFBMNKCMZSGSCS-CAMMJAKZSA-N 2 1 397.485 3.722 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237117375 890861038 /nfs/dbraw/zinc/86/10/38/890861038.db2.gz WOTAAEFCHLCFKV-KSSFIOAISA-N 2 1 395.425 3.570 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000812721148 890898570 /nfs/dbraw/zinc/89/85/70/890898570.db2.gz KYBLPRLNWVKGGZ-AZUAARDMSA-N 2 1 397.604 3.501 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000127341367 891010705 /nfs/dbraw/zinc/01/07/05/891010705.db2.gz CVZVNPMCDARDTG-OAQYLSRUSA-N 2 1 381.520 3.885 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000127341367 891010716 /nfs/dbraw/zinc/01/07/16/891010716.db2.gz CVZVNPMCDARDTG-OAQYLSRUSA-N 2 1 381.520 3.885 20 0 GHADMP Brc1cccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCOC2)c1 ZINC000872018731 891117892 /nfs/dbraw/zinc/11/78/92/891117892.db2.gz PNLSXGQTAMGFKX-KXBFYZLASA-N 2 1 379.342 3.743 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C(F)(F)F ZINC000872148181 891182320 /nfs/dbraw/zinc/18/23/20/891182320.db2.gz HYQGHDWNGOYQFO-FUHWJXTLSA-N 2 1 377.410 3.508 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C(F)(F)F ZINC000872148181 891182322 /nfs/dbraw/zinc/18/23/22/891182322.db2.gz HYQGHDWNGOYQFO-FUHWJXTLSA-N 2 1 377.410 3.508 20 0 GHADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C(F)(F)F ZINC000872148179 891182443 /nfs/dbraw/zinc/18/24/43/891182443.db2.gz HYQGHDWNGOYQFO-AEFFLSMTSA-N 2 1 377.410 3.508 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C(F)(F)F ZINC000872148179 891182449 /nfs/dbraw/zinc/18/24/49/891182449.db2.gz HYQGHDWNGOYQFO-AEFFLSMTSA-N 2 1 377.410 3.508 20 0 GHADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C1)C1CCCC1 ZINC000872157781 891185354 /nfs/dbraw/zinc/18/53/54/891185354.db2.gz RAMMRQIWVFMODC-RHSMWYFYSA-N 2 1 386.462 3.537 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2ccccc2)CC1 ZINC000497370353 891294875 /nfs/dbraw/zinc/29/48/75/891294875.db2.gz NTYICSXKLZJSLA-DNVJHFABSA-N 2 1 398.595 3.585 20 0 GHADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2)C1 ZINC000128118946 891425532 /nfs/dbraw/zinc/42/55/32/891425532.db2.gz NPYDENRILIQZLI-XZOQPEGZSA-N 2 1 379.548 3.538 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)CC2)[nH+]1 ZINC000128124228 891430262 /nfs/dbraw/zinc/43/02/62/891430262.db2.gz ASPYZIQOLCCHRK-IBGZPJMESA-N 3 1 382.552 3.650 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@H](C)C1 ZINC000162141518 892054919 /nfs/dbraw/zinc/05/49/19/892054919.db2.gz FJGVDKODFSILLQ-QPPBQGQZSA-N 2 1 387.612 3.686 20 0 GHADMP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508689358 892637974 /nfs/dbraw/zinc/63/79/74/892637974.db2.gz GFVGYEHUAINEHG-XKCSPQBFSA-N 2 1 393.579 3.544 20 0 GHADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497906281 892699380 /nfs/dbraw/zinc/69/93/80/892699380.db2.gz CUUROCJEPCCDBN-SFHVURJKSA-N 2 1 385.474 3.502 20 0 GHADMP CCC[C@@](C)([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497907801 892707752 /nfs/dbraw/zinc/70/77/52/892707752.db2.gz LSNNLFCCBLLBDA-LJQANCHMSA-N 2 1 385.474 3.646 20 0 GHADMP C[N@@H+](CCCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)C1CC1 ZINC000455620191 892804832 /nfs/dbraw/zinc/80/48/32/892804832.db2.gz SGINPAPQQLLILM-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CC1 ZINC000455620191 892804846 /nfs/dbraw/zinc/80/48/46/892804846.db2.gz SGINPAPQQLLILM-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP C[NH+](CCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CC1 ZINC000455620191 892804865 /nfs/dbraw/zinc/80/48/65/892804865.db2.gz SGINPAPQQLLILM-GMAHTHKFSA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccc2c(c1)C1(CN2C(=O)C[NH+](C)C)CC[NH+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170750246 892829075 /nfs/dbraw/zinc/82/90/75/892829075.db2.gz KCNXJSIMHYFGBX-ACDBMABISA-N 2 1 395.591 3.671 20 0 GHADMP C[C@@H]([NH2+]CCCN1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711887 892830274 /nfs/dbraw/zinc/83/02/74/892830274.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@@H](NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711887 892830310 /nfs/dbraw/zinc/83/03/10/892830310.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508711887 892830330 /nfs/dbraw/zinc/83/03/30/892830330.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@@H](NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508711887 892830349 /nfs/dbraw/zinc/83/03/49/892830349.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 2 1 377.576 3.935 20 0 GHADMP C[C@@H](NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508711887 892830368 /nfs/dbraw/zinc/83/03/68/892830368.db2.gz PPMLHCMFLQAKFO-ZJSXRUAMSA-N 3 1 377.576 3.935 20 0 GHADMP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508721173 892971282 /nfs/dbraw/zinc/97/12/82/892971282.db2.gz UCDMQYUWGZVXFQ-ZTCOLXNVSA-N 2 1 387.612 3.624 20 0 GHADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000562976169 893238079 /nfs/dbraw/zinc/23/80/79/893238079.db2.gz XLMRHZHQHPJZAD-YTFSRNRJSA-N 2 1 377.532 3.518 20 0 GHADMP COCC[NH+]1CCC([NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459394014 893451293 /nfs/dbraw/zinc/45/12/93/893451293.db2.gz ZAGZBGCTOYFSOR-VMPITWQZSA-N 2 1 380.532 3.979 20 0 GHADMP ClC1(Cl)C[C@H]1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877551556 893683820 /nfs/dbraw/zinc/68/38/20/893683820.db2.gz FUSDWSDFWJMRBK-ZWKOTPCHSA-N 2 1 383.363 3.699 20 0 GHADMP COC(=O)c1nc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000877624663 893726943 /nfs/dbraw/zinc/72/69/43/893726943.db2.gz GTNYLPDRAYHSTG-OXQOHEQNSA-N 2 1 399.922 3.979 20 0 GHADMP COC(=O)c1nc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)ccc1Cl ZINC000877624663 893726952 /nfs/dbraw/zinc/72/69/52/893726952.db2.gz GTNYLPDRAYHSTG-OXQOHEQNSA-N 2 1 399.922 3.979 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524973 893727320 /nfs/dbraw/zinc/72/73/20/893727320.db2.gz XGTIEUGCKXDSPZ-CTNGQTDRSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524973 893727335 /nfs/dbraw/zinc/72/73/35/893727335.db2.gz XGTIEUGCKXDSPZ-CTNGQTDRSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524973 893727338 /nfs/dbraw/zinc/72/73/38/893727338.db2.gz XGTIEUGCKXDSPZ-CTNGQTDRSA-N 2 1 383.580 3.503 20 0 GHADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccc4c(c3)CCC4)C2)CC1 ZINC000459524973 893727355 /nfs/dbraw/zinc/72/73/55/893727355.db2.gz XGTIEUGCKXDSPZ-CTNGQTDRSA-N 2 1 383.580 3.503 20 0 GHADMP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000459539491 893762407 /nfs/dbraw/zinc/76/24/07/893762407.db2.gz KBNZOSFUKGXSBR-LOSJGSFVSA-N 2 1 375.560 3.871 20 0 GHADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000556119520 893834091 /nfs/dbraw/zinc/83/40/91/893834091.db2.gz ZDSRISPWMYJLSP-BZUAXINKSA-N 2 1 399.398 3.855 20 0 GHADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1OC(F)F ZINC000536847885 893927704 /nfs/dbraw/zinc/92/77/04/893927704.db2.gz UKECKBBGNAAIFA-JCURWCKSSA-N 2 1 388.886 3.970 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878041324 893973554 /nfs/dbraw/zinc/97/35/54/893973554.db2.gz STWVJTGSMBETQW-UHFFFAOYSA-N 2 1 392.503 3.786 20 0 GHADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878041324 893973555 /nfs/dbraw/zinc/97/35/55/893973555.db2.gz STWVJTGSMBETQW-UHFFFAOYSA-N 2 1 392.503 3.786 20 0 GHADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnc(-c3cccc(O)c3)o2)CC1 ZINC000878041324 893973559 /nfs/dbraw/zinc/97/35/59/893973559.db2.gz STWVJTGSMBETQW-UHFFFAOYSA-N 2 1 392.503 3.786 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)C1 ZINC000459745847 894171001 /nfs/dbraw/zinc/17/10/01/894171001.db2.gz YNUNQPCRPZPZJU-GFCCVEGCSA-N 2 1 377.273 3.872 20 0 GHADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000537045788 894261760 /nfs/dbraw/zinc/26/17/60/894261760.db2.gz AJKLBVRUTCPKLH-LJQANCHMSA-N 2 1 382.390 3.858 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)C(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000878445387 894298540 /nfs/dbraw/zinc/29/85/40/894298540.db2.gz GIIUOWAMPFLFCT-LNLFQRSKSA-N 2 1 395.975 3.702 20 0 GHADMP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563913328 894318779 /nfs/dbraw/zinc/31/87/79/894318779.db2.gz JNCSQYJNWRRHTJ-VQTJNVASSA-N 2 1 386.584 3.826 20 0 GHADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000563913328 894318796 /nfs/dbraw/zinc/31/87/96/894318796.db2.gz JNCSQYJNWRRHTJ-VQTJNVASSA-N 2 1 386.584 3.826 20 0 GHADMP CCOC(=O)c1cccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000878572902 894395234 /nfs/dbraw/zinc/39/52/34/894395234.db2.gz HBQTWWQPUBFNDC-QGZVFWFLSA-N 2 1 387.549 3.582 20 0 GHADMP Cn1c2ccc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000816615850 894977191 /nfs/dbraw/zinc/97/71/91/894977191.db2.gz HJFRZWRGMLJAHD-HXUWFJFHSA-N 2 1 379.504 3.523 20 0 GHADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000564929176 895311707 /nfs/dbraw/zinc/31/17/07/895311707.db2.gz JAQOGUZUFLRKQR-LPHOPBHVSA-N 2 1 385.474 3.593 20 0 GHADMP COCCOc1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000565277514 895498427 /nfs/dbraw/zinc/49/84/27/895498427.db2.gz WSJRGPFIARQNCC-XZOQPEGZSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000565277514 895498433 /nfs/dbraw/zinc/49/84/33/895498433.db2.gz WSJRGPFIARQNCC-XZOQPEGZSA-N 2 1 380.532 3.666 20 0 GHADMP COCCOc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000565277514 895498439 /nfs/dbraw/zinc/49/84/39/895498439.db2.gz WSJRGPFIARQNCC-XZOQPEGZSA-N 2 1 380.532 3.666 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)cccc3OC(F)F)CC2)CC1 ZINC000565370589 895571174 /nfs/dbraw/zinc/57/11/74/895571174.db2.gz GQWZUBYHEYXPQD-UHFFFAOYSA-N 2 1 395.494 3.731 20 0 GHADMP Cc1ccc(NC(=O)Nc2cccc3c2CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000565412587 895608248 /nfs/dbraw/zinc/60/82/48/895608248.db2.gz JRGBPCNDHZTASP-SFHVURJKSA-N 2 1 378.520 3.997 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000565835666 895920466 /nfs/dbraw/zinc/92/04/66/895920466.db2.gz HKIJUNQJHIWYMH-NMNUPHIUSA-N 2 1 394.563 3.539 20 0 GHADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000565835666 895920478 /nfs/dbraw/zinc/92/04/78/895920478.db2.gz HKIJUNQJHIWYMH-NMNUPHIUSA-N 2 1 394.563 3.539 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566012649 896047445 /nfs/dbraw/zinc/04/74/45/896047445.db2.gz MTKGAKQMXLIWMG-SMKKKYSBSA-N 2 1 379.548 3.739 20 0 GHADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000566230620 896192287 /nfs/dbraw/zinc/19/22/87/896192287.db2.gz NTRVBYREFZLGPE-RXVVDRJESA-N 2 1 390.531 3.776 20 0 GHADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000818969797 896329698 /nfs/dbraw/zinc/32/96/98/896329698.db2.gz IKHUGHBDNOGSGO-IBGZPJMESA-N 2 1 377.326 3.724 20 0 GHADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(F)cc3Cl)c2)CCO1 ZINC000818974824 896330734 /nfs/dbraw/zinc/33/07/34/896330734.db2.gz FWAUJVLHNQAKSF-BTYIYWSLSA-N 2 1 392.902 3.523 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)c3ccc(F)cc3Cl)c2)CCO1 ZINC000818974824 896330743 /nfs/dbraw/zinc/33/07/43/896330743.db2.gz FWAUJVLHNQAKSF-BTYIYWSLSA-N 2 1 392.902 3.523 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccc(F)c(F)c3)CC2)cs1 ZINC000819048978 896340278 /nfs/dbraw/zinc/34/02/78/896340278.db2.gz FFIHTISGJCTBDO-IBGZPJMESA-N 2 1 395.519 3.519 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccc(F)cc3C)CC2)cs1 ZINC000819050012 896340726 /nfs/dbraw/zinc/34/07/26/896340726.db2.gz OMRFDFGQSAVKRX-FQEVSTJZSA-N 2 1 391.556 3.688 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566620233 896426940 /nfs/dbraw/zinc/42/69/40/896426940.db2.gz TWZFCOWUUVFVER-JOCHJYFZSA-N 2 1 392.547 3.796 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566620233 896426951 /nfs/dbraw/zinc/42/69/51/896426951.db2.gz TWZFCOWUUVFVER-JOCHJYFZSA-N 2 1 392.547 3.796 20 0 GHADMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC001136199960 896507728 /nfs/dbraw/zinc/50/77/28/896507728.db2.gz NMJDRUCNOMUDNW-DNQXCXABSA-N 2 1 391.559 3.604 20 0 GHADMP Cc1ccccc1OC[C@@H](O)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000819446048 896679188 /nfs/dbraw/zinc/67/91/88/896679188.db2.gz YHLIKLVEFRQFEU-QHCPKHFHSA-N 2 1 397.563 3.625 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)c3ccc(F)c(F)c3)cc2)CC1 ZINC000819445440 896681263 /nfs/dbraw/zinc/68/12/63/896681263.db2.gz RICSPQMOOXVOEZ-QFIPXVFZSA-N 2 1 389.490 3.888 20 0 GHADMP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136219017 896702909 /nfs/dbraw/zinc/70/29/09/896702909.db2.gz JAQKEOIAYGNVFK-WIYYLYMNSA-N 2 1 395.950 3.806 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)C1 ZINC001136219017 896702913 /nfs/dbraw/zinc/70/29/13/896702913.db2.gz JAQKEOIAYGNVFK-WIYYLYMNSA-N 2 1 395.950 3.806 20 0 GHADMP CCOC(=O)COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000567066245 896843514 /nfs/dbraw/zinc/84/35/14/896843514.db2.gz FJXLHQIKUULRNF-GMAHTHKFSA-N 2 1 396.531 3.596 20 0 GHADMP CCOC(=O)COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000567066245 896843527 /nfs/dbraw/zinc/84/35/27/896843527.db2.gz FJXLHQIKUULRNF-GMAHTHKFSA-N 2 1 396.531 3.596 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NCCCNC(=O)OC(C)(C)C)cc2)CC1 ZINC000774938152 914107385 /nfs/dbraw/zinc/10/73/85/914107385.db2.gz LSHSQKKHTGWFJW-UHFFFAOYSA-N 2 1 390.572 3.791 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000567165269 896930720 /nfs/dbraw/zinc/93/07/20/896930720.db2.gz XHLGDZAQJVLJGO-SFHVURJKSA-N 2 1 378.520 3.778 20 0 GHADMP c1ccc([C@H]2C[C@H]([NH2+]CC3(c4ccc5c(c4)OCO5)CCOCC3)CC[NH2+]2)cc1 ZINC000567710226 897351204 /nfs/dbraw/zinc/35/12/04/897351204.db2.gz WWAVCWWPWBBPPV-NHCUHLMSSA-N 2 1 394.515 3.546 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883264361 897419326 /nfs/dbraw/zinc/41/93/26/897419326.db2.gz YDFRVLYWQSZVRL-XPPIMPSXSA-N 2 1 386.580 3.995 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000568144252 897632950 /nfs/dbraw/zinc/63/29/50/897632950.db2.gz ANNCHUKYTWZOHX-ICSRJNTNSA-N 2 1 393.531 3.970 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001136397451 897639408 /nfs/dbraw/zinc/63/94/08/897639408.db2.gz FNSCVENZXZEWMS-RBBKRZOGSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC001136397451 897639416 /nfs/dbraw/zinc/63/94/16/897639416.db2.gz FNSCVENZXZEWMS-RBBKRZOGSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)c1 ZINC001136397451 897639419 /nfs/dbraw/zinc/63/94/19/897639419.db2.gz FNSCVENZXZEWMS-RBBKRZOGSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)c1 ZINC001136397451 897639428 /nfs/dbraw/zinc/63/94/28/897639428.db2.gz FNSCVENZXZEWMS-RBBKRZOGSA-N 2 1 385.596 3.976 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000568609571 897979752 /nfs/dbraw/zinc/97/97/52/897979752.db2.gz FSEMSWISKMVVPE-GKCIPKSASA-N 2 1 386.927 3.604 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000568609571 897979754 /nfs/dbraw/zinc/97/97/54/897979754.db2.gz FSEMSWISKMVVPE-GKCIPKSASA-N 2 1 386.927 3.604 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000568609572 897979913 /nfs/dbraw/zinc/97/99/13/897979913.db2.gz FSEMSWISKMVVPE-KPOBHBOGSA-N 2 1 386.927 3.604 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000568609572 897979924 /nfs/dbraw/zinc/97/99/24/897979924.db2.gz FSEMSWISKMVVPE-KPOBHBOGSA-N 2 1 386.927 3.604 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568630480 897995925 /nfs/dbraw/zinc/99/59/25/897995925.db2.gz WHNQAFVNQYXQSG-GGAORHGYSA-N 2 1 380.532 3.906 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568630480 897995933 /nfs/dbraw/zinc/99/59/33/897995933.db2.gz WHNQAFVNQYXQSG-GGAORHGYSA-N 2 1 380.532 3.906 20 0 GHADMP C[C@@H]([NH2+]C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1)c1ccccc1 ZINC000569196579 898413611 /nfs/dbraw/zinc/41/36/11/898413611.db2.gz FNTPMYKVWTWQMT-LBFURVHYSA-N 2 1 384.568 3.574 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc3c(Br)cccc13)CCO2 ZINC000646106025 914259818 /nfs/dbraw/zinc/25/98/18/914259818.db2.gz PBYXOMVIFJHNBU-UHFFFAOYSA-N 2 1 389.337 3.899 20 0 GHADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3c(Br)cccc13)CCO2 ZINC000646106025 914259829 /nfs/dbraw/zinc/25/98/29/914259829.db2.gz PBYXOMVIFJHNBU-UHFFFAOYSA-N 2 1 389.337 3.899 20 0 GHADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000569768244 898937407 /nfs/dbraw/zinc/93/74/07/898937407.db2.gz MXIDCLQGSBITDH-OAQYLSRUSA-N 2 1 397.567 3.662 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476915 899049881 /nfs/dbraw/zinc/04/98/81/899049881.db2.gz CZDSRPRZOHAFMF-YZGWKJHDSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476915 899049897 /nfs/dbraw/zinc/04/98/97/899049897.db2.gz CZDSRPRZOHAFMF-YZGWKJHDSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823476915 899049913 /nfs/dbraw/zinc/04/99/13/899049913.db2.gz CZDSRPRZOHAFMF-YZGWKJHDSA-N 2 1 379.589 3.686 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(Br)nc1 ZINC000289752447 914329700 /nfs/dbraw/zinc/32/97/00/914329700.db2.gz MRJCLCGCPUEYPM-OAHLLOKOSA-N 2 1 390.325 3.527 20 0 GHADMP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803575 899337237 /nfs/dbraw/zinc/33/72/37/899337237.db2.gz FPGYLYHUNKSNHO-MJGOQNOKSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803575 899337248 /nfs/dbraw/zinc/33/72/48/899337248.db2.gz FPGYLYHUNKSNHO-MJGOQNOKSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)[NH+]1CCC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC001136803575 899337259 /nfs/dbraw/zinc/33/72/59/899337259.db2.gz FPGYLYHUNKSNHO-MJGOQNOKSA-N 2 1 397.485 3.516 20 0 GHADMP O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001136887604 899675838 /nfs/dbraw/zinc/67/58/38/899675838.db2.gz WKYCOXWYLABUBI-JOCHJYFZSA-N 2 1 377.532 3.638 20 0 GHADMP O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001136887605 899676345 /nfs/dbraw/zinc/67/63/45/899676345.db2.gz WKYCOXWYLABUBI-QFIPXVFZSA-N 2 1 377.532 3.638 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cncc(Cl)c4)CC3)C2)cc1 ZINC001136992958 899996766 /nfs/dbraw/zinc/99/67/66/899996766.db2.gz SOOQRRYYLFQVHT-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC000572001360 900030924 /nfs/dbraw/zinc/03/09/24/900030924.db2.gz QARZITFKRKNAAB-UHFFFAOYSA-N 2 1 392.956 3.642 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC001137043728 900196507 /nfs/dbraw/zinc/19/65/07/900196507.db2.gz DDXDJZKPPVEGJB-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137043728 900196511 /nfs/dbraw/zinc/19/65/11/900196511.db2.gz DDXDJZKPPVEGJB-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc3nc[nH]c3c1)CC2 ZINC001137043728 900196519 /nfs/dbraw/zinc/19/65/19/900196519.db2.gz DDXDJZKPPVEGJB-UHFFFAOYSA-N 2 1 375.520 3.835 20 0 GHADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844631 900662670 /nfs/dbraw/zinc/66/26/70/900662670.db2.gz APGNDPHRAQDKFY-IAQYHMDHSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844631 900662671 /nfs/dbraw/zinc/66/26/71/900662671.db2.gz APGNDPHRAQDKFY-IAQYHMDHSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844631 900662672 /nfs/dbraw/zinc/66/26/72/900662672.db2.gz APGNDPHRAQDKFY-IAQYHMDHSA-N 2 1 390.163 3.984 20 0 GHADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000573844631 900662679 /nfs/dbraw/zinc/66/26/79/900662679.db2.gz APGNDPHRAQDKFY-IAQYHMDHSA-N 2 1 390.163 3.984 20 0 GHADMP C[NH+](C)CCOc1cccc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)c1 ZINC001212807216 900770130 /nfs/dbraw/zinc/77/01/30/900770130.db2.gz QYILSCIHDSPQIZ-UHFFFAOYSA-N 2 1 388.943 3.776 20 0 GHADMP Cc1c(-c2cc(C[N@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)on2)cnn1C ZINC000574159381 900798503 /nfs/dbraw/zinc/79/85/03/900798503.db2.gz NXJDPAJZZRDXBL-CVDCTZTESA-N 2 1 393.535 3.556 20 0 GHADMP CC(C)OCCN1CCC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886534359 901138795 /nfs/dbraw/zinc/13/87/95/901138795.db2.gz HDPLROWGXHBXMO-QTJGBDASSA-N 2 1 385.596 3.519 20 0 GHADMP CC(C)OCC[NH+]1CCC(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886534359 901138799 /nfs/dbraw/zinc/13/87/99/901138799.db2.gz HDPLROWGXHBXMO-QTJGBDASSA-N 2 1 385.596 3.519 20 0 GHADMP CC(C)OCC[NH+]1CCC(N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000886534359 901138804 /nfs/dbraw/zinc/13/88/04/901138804.db2.gz HDPLROWGXHBXMO-QTJGBDASSA-N 2 1 385.596 3.519 20 0 GHADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000646427936 914510335 /nfs/dbraw/zinc/51/03/35/914510335.db2.gz IOBUVTVCQLQMMJ-RTBURBONSA-N 2 1 397.485 3.516 20 0 GHADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3C[C@@H](C1)[N@@H+](Cc1ccccc1)C3)CC2 ZINC000886598754 901183527 /nfs/dbraw/zinc/18/35/27/901183527.db2.gz JJIGWESRWOLPKZ-SNJCGAMXSA-N 2 1 378.564 3.964 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000886709508 901239350 /nfs/dbraw/zinc/23/93/50/901239350.db2.gz SCZISFVMPMWPEI-YMPZKCBVSA-N 2 1 386.580 3.853 20 0 GHADMP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@H]3C[C@H]4C[C@@H](C3)[N@@H+](Cc3ccccc3)C4)O2)[C@H]1C ZINC000886769037 901262254 /nfs/dbraw/zinc/26/22/54/901262254.db2.gz NXONZCDQWNZYOX-BISDLQSSSA-N 2 1 384.564 3.602 20 0 GHADMP C([C@H](C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886815276 901284182 /nfs/dbraw/zinc/28/41/82/901284182.db2.gz APHKQPMRAVUUBZ-QCCYXRBGSA-N 2 1 390.612 3.795 20 0 GHADMP C([C@@H](C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815276 901284194 /nfs/dbraw/zinc/28/41/94/901284194.db2.gz APHKQPMRAVUUBZ-QCCYXRBGSA-N 2 1 390.612 3.795 20 0 GHADMP C([C@@H](C[N@H+]1CC[C@H]([C@H]2CCCO2)C1)C1CCCC1)[NH+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815276 901284206 /nfs/dbraw/zinc/28/42/06/901284206.db2.gz APHKQPMRAVUUBZ-QCCYXRBGSA-N 2 1 390.612 3.795 20 0 GHADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000575768362 901285695 /nfs/dbraw/zinc/28/56/95/901285695.db2.gz UCCIAMHNIOSOGH-UXHICEINSA-N 2 1 383.502 3.959 20 0 GHADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000575883002 901425126 /nfs/dbraw/zinc/42/51/26/901425126.db2.gz FSQRALIEKFJFTC-QWQGWLCTSA-N 2 1 395.591 3.810 20 0 GHADMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cc(F)c(Cl)cc1Cl ZINC000575930217 901489023 /nfs/dbraw/zinc/48/90/23/901489023.db2.gz MZTKRFNQNRQEFI-NSHDSACASA-N 2 1 388.314 3.526 20 0 GHADMP c1ncn(-c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2)n1 ZINC000576077683 901655461 /nfs/dbraw/zinc/65/54/61/901655461.db2.gz ZEGADULMISQQNM-QFIPXVFZSA-N 2 1 375.520 3.659 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265856 901889509 /nfs/dbraw/zinc/88/95/09/901889509.db2.gz CGJCOBBNEZBXQC-GOEBONIOSA-N 2 1 386.483 3.652 20 0 GHADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265856 901889541 /nfs/dbraw/zinc/88/95/41/901889541.db2.gz CGJCOBBNEZBXQC-GOEBONIOSA-N 2 1 386.483 3.652 20 0 GHADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)C[C@@H]1C ZINC000576265856 901889551 /nfs/dbraw/zinc/88/95/51/901889551.db2.gz CGJCOBBNEZBXQC-GOEBONIOSA-N 2 1 386.483 3.652 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000576364451 901973592 /nfs/dbraw/zinc/97/35/92/901973592.db2.gz HQVZUTKFOSPQAT-OAQYLSRUSA-N 2 1 385.552 3.550 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000576783669 902259426 /nfs/dbraw/zinc/25/94/26/902259426.db2.gz LWFWFACNMFJGBQ-UHFFFAOYSA-N 2 1 387.833 3.984 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C[C@H](C)O1 ZINC000576789374 902264009 /nfs/dbraw/zinc/26/40/09/902264009.db2.gz KKYLSUUSYGUFTB-CALCHBBNSA-N 2 1 393.597 3.501 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)C[C@H](C)O1 ZINC000576789374 902264016 /nfs/dbraw/zinc/26/40/16/902264016.db2.gz KKYLSUUSYGUFTB-CALCHBBNSA-N 2 1 393.597 3.501 20 0 GHADMP Brc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)co2)cc1 ZINC000576875120 902326249 /nfs/dbraw/zinc/32/62/49/902326249.db2.gz MLPQRLUSCZLUQV-HOTGVXAUSA-N 2 1 390.325 3.926 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C(C)(C)C)CC3)CC2)CC1 ZINC000577089542 902494987 /nfs/dbraw/zinc/49/49/87/902494987.db2.gz XGOQCNOWJYRIGP-HXUWFJFHSA-N 2 1 377.617 3.858 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)c3ccc(C)cc3C)CC2)CC1 ZINC000577229406 902600775 /nfs/dbraw/zinc/60/07/75/902600775.db2.gz IVHAPUHZXVMHFW-UHFFFAOYSA-N 2 1 399.623 3.894 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000290370441 914648861 /nfs/dbraw/zinc/64/88/61/914648861.db2.gz HKFHWXGJBVTQOE-UHFFFAOYSA-N 2 1 386.503 3.961 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000290370441 914648867 /nfs/dbraw/zinc/64/88/67/914648867.db2.gz HKFHWXGJBVTQOE-UHFFFAOYSA-N 2 1 386.503 3.961 20 0 GHADMP c1nc2cc(C[N@@H+]3CCc4ncc(C[NH+]5CCCCC5)n4CC3)ccc2s1 ZINC001144738277 902782393 /nfs/dbraw/zinc/78/23/93/902782393.db2.gz OOOQYLIRTFOXOR-UHFFFAOYSA-N 2 1 381.549 3.537 20 0 GHADMP CC(C)(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC001171229117 903027228 /nfs/dbraw/zinc/02/72/28/903027228.db2.gz HWULHIBIWVGIJS-IBGZPJMESA-N 2 1 389.609 3.932 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)C1 ZINC000577741972 903147049 /nfs/dbraw/zinc/14/70/49/903147049.db2.gz PDLFQDBHECQOLP-IRNNPGBSSA-N 2 1 397.950 3.595 20 0 GHADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000846989451 903370067 /nfs/dbraw/zinc/37/00/67/903370067.db2.gz BIKHKVKFNFFYEM-ICSRJNTNSA-N 2 1 390.572 3.854 20 0 GHADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000846989451 903370080 /nfs/dbraw/zinc/37/00/80/903370080.db2.gz BIKHKVKFNFFYEM-ICSRJNTNSA-N 2 1 390.572 3.854 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)[C@H]1c1cccs1 ZINC000578127563 903543341 /nfs/dbraw/zinc/54/33/41/903543341.db2.gz DITUJXJYIODGPA-QINHECLXSA-N 2 1 394.968 3.814 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)[C@H]1c1cccs1 ZINC000578127563 903543353 /nfs/dbraw/zinc/54/33/53/903543353.db2.gz DITUJXJYIODGPA-QINHECLXSA-N 2 1 394.968 3.814 20 0 GHADMP C/C(=C\C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC001146977022 903652516 /nfs/dbraw/zinc/65/25/16/903652516.db2.gz IKYUXYGBSZAUMW-HXXSJYRJSA-N 2 1 375.601 3.537 20 0 GHADMP C/C(=C\C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC001146977022 903652520 /nfs/dbraw/zinc/65/25/20/903652520.db2.gz IKYUXYGBSZAUMW-HXXSJYRJSA-N 2 1 375.601 3.537 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000578408606 903815168 /nfs/dbraw/zinc/81/51/68/903815168.db2.gz GGZOLUACFYFRBZ-APWZRJJASA-N 2 1 380.964 3.505 20 0 GHADMP COC1CC[NH+](C(C)(C)CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000578410092 903816689 /nfs/dbraw/zinc/81/66/89/903816689.db2.gz NOZPOORCTVZGNR-KOUNCHBCSA-N 2 1 385.596 3.661 20 0 GHADMP COC1CCN(C(C)(C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000578410092 903816702 /nfs/dbraw/zinc/81/67/02/903816702.db2.gz NOZPOORCTVZGNR-KOUNCHBCSA-N 2 1 385.596 3.661 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000779073094 903902565 /nfs/dbraw/zinc/90/25/65/903902565.db2.gz KMXASGRRYVVNRM-IFMALSPDSA-N 2 1 393.522 3.871 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000779073094 903902575 /nfs/dbraw/zinc/90/25/75/903902575.db2.gz KMXASGRRYVVNRM-IFMALSPDSA-N 2 1 393.522 3.871 20 0 GHADMP C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001148164849 904000836 /nfs/dbraw/zinc/00/08/36/904000836.db2.gz HMTBHQGLPRZRHV-NZQKXSOJSA-N 2 1 385.596 3.662 20 0 GHADMP CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000578752942 904100095 /nfs/dbraw/zinc/10/00/95/904100095.db2.gz BTBBYQBHBXBMRT-XMSQKQJNSA-N 2 1 378.520 3.944 20 0 GHADMP CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000578752942 904100104 /nfs/dbraw/zinc/10/01/04/904100104.db2.gz BTBBYQBHBXBMRT-XMSQKQJNSA-N 2 1 378.520 3.944 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000578867571 904193135 /nfs/dbraw/zinc/19/31/35/904193135.db2.gz UHVHMPPGLVRSRH-QHCPKHFHSA-N 2 1 382.552 3.889 20 0 GHADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000578867571 904193142 /nfs/dbraw/zinc/19/31/42/904193142.db2.gz UHVHMPPGLVRSRH-QHCPKHFHSA-N 2 1 382.552 3.889 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1(C)C ZINC001171631634 904854090 /nfs/dbraw/zinc/85/40/90/904854090.db2.gz LIMOJYDFJDKAAJ-AEFFLSMTSA-N 2 1 379.589 3.969 20 0 GHADMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@H]3O[C@H](COc4cccnc4)CC[C@H]32)CC1(C)C ZINC001171637768 904926107 /nfs/dbraw/zinc/92/61/07/904926107.db2.gz OZJCRFZDQRBBFT-PWRODBHTSA-N 2 1 387.568 3.734 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CN1Cc1ccccc1 ZINC001171750125 904976932 /nfs/dbraw/zinc/97/69/32/904976932.db2.gz JTUXCOMOHIDNAW-FCEUIQTBSA-N 2 1 385.596 3.661 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN([C@@H]1C[C@@H](C)[N@H+](Cc3ccccc3)C1)CC2 ZINC001171751467 904980130 /nfs/dbraw/zinc/98/01/30/904980130.db2.gz NWJLIYYYXAGCRM-TZIWHRDSSA-N 2 1 395.595 3.547 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN([C@@H]1C[C@@H](C)[N@@H+](Cc3ccccc3)C1)CC2 ZINC001171751467 904980136 /nfs/dbraw/zinc/98/01/36/904980136.db2.gz NWJLIYYYXAGCRM-TZIWHRDSSA-N 2 1 395.595 3.547 20 0 GHADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000646807760 914860447 /nfs/dbraw/zinc/86/04/47/914860447.db2.gz RJBCYPPTKDBLGS-KRWDZBQOSA-N 2 1 396.579 3.786 20 0 GHADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[NH+](C)CC4)C1 ZINC000646807760 914860460 /nfs/dbraw/zinc/86/04/60/914860460.db2.gz RJBCYPPTKDBLGS-KRWDZBQOSA-N 2 1 396.579 3.786 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000646807760 914860478 /nfs/dbraw/zinc/86/04/78/914860478.db2.gz RJBCYPPTKDBLGS-KRWDZBQOSA-N 2 1 396.579 3.786 20 0 GHADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000646807760 914860496 /nfs/dbraw/zinc/86/04/96/914860496.db2.gz RJBCYPPTKDBLGS-KRWDZBQOSA-N 2 1 396.579 3.786 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC001171753955 904985243 /nfs/dbraw/zinc/98/52/43/904985243.db2.gz YUWQWAZIVBVSHY-YJMBLLCNSA-N 2 1 381.589 3.775 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171753955 904985254 /nfs/dbraw/zinc/98/52/54/904985254.db2.gz YUWQWAZIVBVSHY-YJMBLLCNSA-N 2 1 381.589 3.775 20 0 GHADMP C[C@@H]1C[C@H](N2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC001171753955 904985277 /nfs/dbraw/zinc/98/52/77/904985277.db2.gz YUWQWAZIVBVSHY-YJMBLLCNSA-N 2 1 381.589 3.775 20 0 GHADMP COc1cccc(N([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001171760640 904995166 /nfs/dbraw/zinc/99/51/66/904995166.db2.gz YUEKVIKMZJXVIE-AUSIDOKSSA-N 2 1 379.548 3.917 20 0 GHADMP COC(=O)c1ccc2c(c1)c(C[NH3+])cn2[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171734908 905017187 /nfs/dbraw/zinc/01/71/87/905017187.db2.gz RIIYWYHSLBTVEZ-JXFKEZNVSA-N 2 1 377.488 3.722 20 0 GHADMP COc1cccc(CC2([NH3+])CCN([C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001171740628 905028535 /nfs/dbraw/zinc/02/85/35/905028535.db2.gz TUUNQEWBLJUHFJ-NFBKMPQASA-N 2 1 393.575 3.694 20 0 GHADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)C4(CCC4)C3)C2)CC1 ZINC001171859002 905107307 /nfs/dbraw/zinc/10/73/07/905107307.db2.gz WEILBARLCAFPAE-SFHVURJKSA-N 2 1 377.573 3.726 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)[C@@H]2C1 ZINC001171969103 905215314 /nfs/dbraw/zinc/21/53/14/905215314.db2.gz TUYXVONFZAVOIN-BURNTYAHSA-N 2 1 399.579 3.885 20 0 GHADMP COC(=O)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171980917 905231471 /nfs/dbraw/zinc/23/14/71/905231471.db2.gz YIJXLGLDWJCMNF-QFIPXVFZSA-N 2 1 380.532 3.935 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171981682 905233876 /nfs/dbraw/zinc/23/38/76/905233876.db2.gz ZWUOCPSEFRNXDO-GOSISDBHSA-N 2 1 380.458 3.978 20 0 GHADMP CC1(C)C[C@H]([NH2+]Cc2cnn(CC(F)(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC001171981682 905233887 /nfs/dbraw/zinc/23/38/87/905233887.db2.gz ZWUOCPSEFRNXDO-GOSISDBHSA-N 2 1 380.458 3.978 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC(NC(=O)C3CCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171984647 905242380 /nfs/dbraw/zinc/24/23/80/905242380.db2.gz OCUNEVDDJLPRMU-JOCHJYFZSA-N 2 1 383.580 3.810 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(Oc3ccncn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171987149 905249020 /nfs/dbraw/zinc/24/90/20/905249020.db2.gz PQSZYDZQXDUFDQ-FQEVSTJZSA-N 2 1 380.536 3.763 20 0 GHADMP CCN1CC2(CC1=O)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171987651 905250378 /nfs/dbraw/zinc/25/03/78/905250378.db2.gz ZDFDCLOOEKEYJM-NRFANRHFSA-N 2 1 383.580 3.764 20 0 GHADMP O=c1ccc2c([nH]1)CC[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001172060422 905259281 /nfs/dbraw/zinc/25/92/81/905259281.db2.gz AGYMUGDVIOEAEJ-KJJMTIBFSA-N 2 1 377.532 3.820 20 0 GHADMP COCCN(C1CC[NH+](C)CC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072202 905279159 /nfs/dbraw/zinc/27/91/59/905279159.db2.gz IIPJWDFLZKFSCN-UBRQYEGLSA-N 2 1 385.596 3.615 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172074508 905284548 /nfs/dbraw/zinc/28/45/48/905284548.db2.gz SNUFNSQPWKWKDB-WKCHPHFGSA-N 2 1 388.527 3.939 20 0 GHADMP CCOC(=O)C1(F)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074508 905284556 /nfs/dbraw/zinc/28/45/56/905284556.db2.gz SNUFNSQPWKWKDB-WKCHPHFGSA-N 2 1 388.527 3.939 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)c1cccc(O)c1 ZINC001172077013 905289077 /nfs/dbraw/zinc/28/90/77/905289077.db2.gz OCFXFFCMSMUPBQ-PRWKWXBKSA-N 2 1 380.532 3.989 20 0 GHADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCC1 ZINC001172078049 905290776 /nfs/dbraw/zinc/29/07/76/905290776.db2.gz XEWPKLCNGRZBSN-GPJHCHHRSA-N 2 1 383.580 3.809 20 0 GHADMP O=C1COc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4Cc3ccccc3)cc2N1 ZINC001172080385 905292217 /nfs/dbraw/zinc/29/22/17/905292217.db2.gz VAGRLATZQJXXQK-MZADTFQBSA-N 2 1 391.515 3.693 20 0 GHADMP O=C1COc2ccc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)cc2N1 ZINC001172080385 905292249 /nfs/dbraw/zinc/29/22/49/905292249.db2.gz VAGRLATZQJXXQK-MZADTFQBSA-N 2 1 391.515 3.693 20 0 GHADMP CCC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172067618 905334183 /nfs/dbraw/zinc/33/41/83/905334183.db2.gz QRQQQZMOSMVSNF-NUNAXRQHSA-N 2 1 383.580 3.810 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(c1ncccc1C(F)(F)F)C1CC[NH2+]CC1)C2 ZINC001172133723 905346774 /nfs/dbraw/zinc/34/67/74/905346774.db2.gz URWOPEFSRXKSGJ-FVQHAEBGSA-N 2 1 382.474 3.674 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COc3cccnc3)CC1)C2 ZINC001172118729 905377173 /nfs/dbraw/zinc/37/71/73/905377173.db2.gz YDTQMCJBPVBHKY-CZYKHXBRSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CCOC[C@@H]3COc3cccnc3)CC1)C2 ZINC001172118729 905377190 /nfs/dbraw/zinc/37/71/90/905377190.db2.gz YDTQMCJBPVBHKY-CZYKHXBRSA-N 2 1 399.579 3.594 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119500 905379054 /nfs/dbraw/zinc/37/90/54/905379054.db2.gz VXPBTXVSDSDUCN-JYLXEMOASA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119500 905379068 /nfs/dbraw/zinc/37/90/68/905379068.db2.gz VXPBTXVSDSDUCN-JYLXEMOASA-N 2 1 387.593 3.692 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CCCN(C(=O)c1cccs1)C3)C2 ZINC001172119500 905379085 /nfs/dbraw/zinc/37/90/85/905379085.db2.gz VXPBTXVSDSDUCN-JYLXEMOASA-N 2 1 387.593 3.692 20 0 GHADMP COCCC[NH+]1CCC(N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)CC1 ZINC001172254042 905448659 /nfs/dbraw/zinc/44/86/59/905448659.db2.gz HPAQEQPNXGODRT-DEOSSOPVSA-N 2 1 385.596 3.616 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H]3[C@@H](C2)c2ccccc2N3CC(C)C)CC1 ZINC001172255213 905451380 /nfs/dbraw/zinc/45/13/80/905451380.db2.gz JYDGPVNQTSIQAY-UPVQGACJSA-N 2 1 385.596 3.821 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CC[C@H]3[C@@H](C2)c2ccccc2N3CC(C)C)CC1 ZINC001172255213 905451387 /nfs/dbraw/zinc/45/13/87/905451387.db2.gz JYDGPVNQTSIQAY-UPVQGACJSA-N 2 1 385.596 3.821 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC[NH+](C)CC3)CC[C@H]21 ZINC001172328657 905493727 /nfs/dbraw/zinc/49/37/27/905493727.db2.gz FXGVBMDMJKMGNY-PBLZTVTNSA-N 2 1 396.616 3.560 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001172338429 905503284 /nfs/dbraw/zinc/50/32/84/905503284.db2.gz OFOCYETZEQYFCC-LEWJYISDSA-N 2 1 389.584 3.590 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)CCOC(C)C)CC2 ZINC001172446684 905564855 /nfs/dbraw/zinc/56/48/55/905564855.db2.gz NCNJRHQAHXFNLI-MOPGFXCFSA-N 2 1 395.613 3.650 20 0 GHADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172514922 905609101 /nfs/dbraw/zinc/60/91/01/905609101.db2.gz KMEGRYSVHASZSV-VUBDRERZSA-N 2 1 383.580 3.780 20 0 GHADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001172518560 905613040 /nfs/dbraw/zinc/61/30/40/905613040.db2.gz ZRCXMXHVMATNPT-XXTHSBEZSA-N 2 1 383.580 3.639 20 0 GHADMP c1ccc([C@@H]2CC[C@@H]([NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561143 905622774 /nfs/dbraw/zinc/62/27/74/905622774.db2.gz OHYXFQLGUOUUAQ-ZGFBMJKBSA-N 2 1 391.559 3.941 20 0 GHADMP c1ccc([C@@H]2CC[C@@H]([N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561143 905622785 /nfs/dbraw/zinc/62/27/85/905622785.db2.gz OHYXFQLGUOUUAQ-ZGFBMJKBSA-N 2 1 391.559 3.941 20 0 GHADMP c1ccc([C@@H]2CC[C@@H]([N@@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001172561143 905622796 /nfs/dbraw/zinc/62/27/96/905622796.db2.gz OHYXFQLGUOUUAQ-ZGFBMJKBSA-N 2 1 391.559 3.941 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001172665304 905750201 /nfs/dbraw/zinc/75/02/01/905750201.db2.gz IVRQQDRIXARBCH-QDSKXPNFSA-N 2 1 391.559 3.820 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001172665304 905750211 /nfs/dbraw/zinc/75/02/11/905750211.db2.gz IVRQQDRIXARBCH-QDSKXPNFSA-N 2 1 391.559 3.820 20 0 GHADMP COC(=O)[C@H]1CCC[C@H]([NH2+][C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2[NH3+])CC1 ZINC001172797673 905871119 /nfs/dbraw/zinc/87/11/19/905871119.db2.gz IJNOLBNVGORHIM-ZUBJEWALSA-N 2 1 390.527 3.685 20 0 GHADMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(C3CC[NH+](CC(=O)OC(C)(C)C)CC3)c2c1 ZINC001172887876 905976065 /nfs/dbraw/zinc/97/60/65/905976065.db2.gz QNUOSFXGVQJKJL-QGZVFWFLSA-N 2 1 385.552 3.818 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000177121820 906041816 /nfs/dbraw/zinc/04/18/16/906041816.db2.gz MUSOBMGAZWKBJU-XLIONFOSSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cc(N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000177121820 906041854 /nfs/dbraw/zinc/04/18/54/906041854.db2.gz MUSOBMGAZWKBJU-XLIONFOSSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000177121820 906041878 /nfs/dbraw/zinc/04/18/78/906041878.db2.gz MUSOBMGAZWKBJU-XLIONFOSSA-N 2 1 398.526 3.721 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cc(N)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000177121820 906041898 /nfs/dbraw/zinc/04/18/98/906041898.db2.gz MUSOBMGAZWKBJU-XLIONFOSSA-N 2 1 398.526 3.721 20 0 GHADMP CN(c1ccccc1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1)C1CC[NH+](C)CC1 ZINC000628480855 906163968 /nfs/dbraw/zinc/16/39/68/906163968.db2.gz FUCUISKPIHRNNH-FQEVSTJZSA-N 2 1 379.548 3.912 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+]([C@@H]4CCc5ncsc5C4)CC3)C2)cc1 ZINC001173136025 906216865 /nfs/dbraw/zinc/21/68/65/906216865.db2.gz CYXGHPXMUPYWFH-HXUWFJFHSA-N 2 1 397.588 3.676 20 0 GHADMP COc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CO2 ZINC001173162778 906248050 /nfs/dbraw/zinc/24/80/50/906248050.db2.gz YRDLNSPQCAMWRH-XXBNENTESA-N 2 1 380.532 3.889 20 0 GHADMP COc1cccc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CO2 ZINC001173162778 906248070 /nfs/dbraw/zinc/24/80/70/906248070.db2.gz YRDLNSPQCAMWRH-XXBNENTESA-N 2 1 380.532 3.889 20 0 GHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)CO2 ZINC001173162776 906248224 /nfs/dbraw/zinc/24/82/24/906248224.db2.gz YRDLNSPQCAMWRH-WMZHIEFXSA-N 2 1 380.532 3.889 20 0 GHADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)CO2 ZINC001173162776 906248238 /nfs/dbraw/zinc/24/82/38/906248238.db2.gz YRDLNSPQCAMWRH-WMZHIEFXSA-N 2 1 380.532 3.889 20 0 GHADMP COc1cccc2c1C[C@H]([N@@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)CO2 ZINC001173167190 906288825 /nfs/dbraw/zinc/28/88/25/906288825.db2.gz DFRIOMWMWQRMJQ-WVWXBDJASA-N 2 1 394.559 3.894 20 0 GHADMP COc1cccc2c1C[C@H]([N@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)CO2 ZINC001173167190 906288843 /nfs/dbraw/zinc/28/88/43/906288843.db2.gz DFRIOMWMWQRMJQ-WVWXBDJASA-N 2 1 394.559 3.894 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)CO2 ZINC001173167190 906288859 /nfs/dbraw/zinc/28/88/59/906288859.db2.gz DFRIOMWMWQRMJQ-WVWXBDJASA-N 2 1 394.559 3.894 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)CO2 ZINC001173167190 906288875 /nfs/dbraw/zinc/28/88/75/906288875.db2.gz DFRIOMWMWQRMJQ-WVWXBDJASA-N 2 1 394.559 3.894 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(-c2ccccc2)o1 ZINC000179394294 906491281 /nfs/dbraw/zinc/49/12/81/906491281.db2.gz MRLLOMHEEHIRNZ-UHFFFAOYSA-N 2 1 377.492 3.870 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613863 906540832 /nfs/dbraw/zinc/54/08/32/906540832.db2.gz ZJRDMHIRUQDJLJ-WQQFTPOPSA-N 2 1 388.577 3.624 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([N@@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613863 906540839 /nfs/dbraw/zinc/54/08/39/906540839.db2.gz ZJRDMHIRUQDJLJ-WQQFTPOPSA-N 2 1 388.577 3.624 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+]1C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613863 906540851 /nfs/dbraw/zinc/54/08/51/906540851.db2.gz ZJRDMHIRUQDJLJ-WQQFTPOPSA-N 2 1 388.577 3.624 20 0 GHADMP CCOC(=O)[C@H]1CC12CCC([NH+]1C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001173613863 906540862 /nfs/dbraw/zinc/54/08/62/906540862.db2.gz ZJRDMHIRUQDJLJ-WQQFTPOPSA-N 2 1 388.577 3.624 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634128 906585442 /nfs/dbraw/zinc/58/54/42/906585442.db2.gz OPZMXCVFFPFDEV-WLRLJWMZSA-N 2 1 388.552 3.889 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccc(F)c(Cl)c3)CC1)C2 ZINC001173771301 906690321 /nfs/dbraw/zinc/69/03/21/906690321.db2.gz OLELNMZLYIGUIN-BCDXTJNWSA-N 2 1 393.934 3.689 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCN(C(=O)c3ccc(F)c(Cl)c3)CC1)C2 ZINC001173771301 906690325 /nfs/dbraw/zinc/69/03/25/906690325.db2.gz OLELNMZLYIGUIN-BCDXTJNWSA-N 2 1 393.934 3.689 20 0 GHADMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173774205 906699734 /nfs/dbraw/zinc/69/97/34/906699734.db2.gz TUUJQKXGBYDSNT-KRWDZBQOSA-N 2 1 395.950 3.936 20 0 GHADMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)C1 ZINC001173774205 906699740 /nfs/dbraw/zinc/69/97/40/906699740.db2.gz TUUJQKXGBYDSNT-KRWDZBQOSA-N 2 1 395.950 3.936 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180161012 906703933 /nfs/dbraw/zinc/70/39/33/906703933.db2.gz WJHJQFQHUFFQLB-PMVMPFDFSA-N 2 1 383.580 3.524 20 0 GHADMP O[C@H](C[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000629580161 906874980 /nfs/dbraw/zinc/87/49/80/906874980.db2.gz NRNAZUJOAQUEAK-FGZHOGPDSA-N 2 1 388.939 3.644 20 0 GHADMP C[C@H](CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000629601205 906892594 /nfs/dbraw/zinc/89/25/94/906892594.db2.gz IPJHSCLEOOUVKZ-RTBURBONSA-N 2 1 383.536 3.554 20 0 GHADMP C[C@H](CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[C@@H]1CCC[NH2+]C1 ZINC000629601205 906892604 /nfs/dbraw/zinc/89/26/04/906892604.db2.gz IPJHSCLEOOUVKZ-RTBURBONSA-N 2 1 383.536 3.554 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000365999740 921280005 /nfs/dbraw/zinc/28/00/05/921280005.db2.gz LUMOXUIGAWBODP-DENIHFKCSA-N 2 1 379.548 3.873 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000779438859 907093733 /nfs/dbraw/zinc/09/37/33/907093733.db2.gz PEISABZIAWQVES-DKUWSORSSA-N 2 1 385.552 3.781 20 0 GHADMP CCCC[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983196 907333018 /nfs/dbraw/zinc/33/30/18/907333018.db2.gz FQDOORQESRALFM-SFHVURJKSA-N 2 1 399.620 3.673 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c2ncccc12 ZINC001175601948 907631801 /nfs/dbraw/zinc/63/18/01/907631801.db2.gz ZGZKHDYBGQYQQG-UHFFFAOYSA-N 2 1 383.536 3.821 20 0 GHADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(OC)c1OC ZINC000631648142 907786728 /nfs/dbraw/zinc/78/67/28/907786728.db2.gz VZQWLNIWBQICJT-CTNGQTDRSA-N 2 1 384.520 3.511 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973416 907845939 /nfs/dbraw/zinc/84/59/39/907845939.db2.gz LQVPWKZHLBLDQX-GBXCKJPGSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973416 907845959 /nfs/dbraw/zinc/84/59/59/907845959.db2.gz LQVPWKZHLBLDQX-GBXCKJPGSA-N 2 1 395.522 3.917 20 0 GHADMP Cc1ccc(F)cc1NC(=O)CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973416 907845980 /nfs/dbraw/zinc/84/59/80/907845980.db2.gz LQVPWKZHLBLDQX-GBXCKJPGSA-N 2 1 395.522 3.917 20 0 GHADMP CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000633073967 908206010 /nfs/dbraw/zinc/20/60/10/908206010.db2.gz ZBLPDEJEDKLSHX-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC001177221854 908472030 /nfs/dbraw/zinc/47/20/30/908472030.db2.gz DNOFDDILVZTBHK-UBFVSLLYSA-N 2 1 399.623 3.940 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)[C@H]3CCc4nccn4C3)cccc2[C@H](c2ccccc2)C1 ZINC001178118221 908889721 /nfs/dbraw/zinc/88/97/21/908889721.db2.gz RKYDMPKYUYIDOS-ICSRJNTNSA-N 2 1 386.499 3.662 20 0 GHADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c2c1OC(F)(F)O2 ZINC001179193591 909427364 /nfs/dbraw/zinc/42/73/64/909427364.db2.gz IEMYBLJSIRRKHJ-QGZVFWFLSA-N 2 1 395.494 3.566 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC001179925138 909809217 /nfs/dbraw/zinc/80/92/17/909809217.db2.gz NJWWMQSFTIHPQB-NSHGMRRFSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC001179925138 909809233 /nfs/dbraw/zinc/80/92/33/909809233.db2.gz NJWWMQSFTIHPQB-NSHGMRRFSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC001179925138 909809245 /nfs/dbraw/zinc/80/92/45/909809245.db2.gz NJWWMQSFTIHPQB-NSHGMRRFSA-N 2 1 377.573 3.582 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001180080843 909934464 /nfs/dbraw/zinc/93/44/64/909934464.db2.gz GXRFQLAVCDPTKX-LJQANCHMSA-N 2 1 381.605 3.981 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001180080843 909934471 /nfs/dbraw/zinc/93/44/71/909934471.db2.gz GXRFQLAVCDPTKX-LJQANCHMSA-N 2 1 381.605 3.981 20 0 GHADMP CCC(CC)(CNC(=O)OC(C)(C)C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001180080843 909934481 /nfs/dbraw/zinc/93/44/81/909934481.db2.gz GXRFQLAVCDPTKX-LJQANCHMSA-N 2 1 381.605 3.981 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268871378 910052367 /nfs/dbraw/zinc/05/23/67/910052367.db2.gz IVMVBTZOQHUHSQ-UGKGYDQZSA-N 2 1 395.547 3.782 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(OC3CCOCC3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268871378 910052385 /nfs/dbraw/zinc/05/23/85/910052385.db2.gz IVMVBTZOQHUHSQ-UGKGYDQZSA-N 2 1 395.547 3.782 20 0 GHADMP Cc1c(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnn1C1CCCC1 ZINC000638299256 910108044 /nfs/dbraw/zinc/10/80/44/910108044.db2.gz WKGUUJIGDGGGKB-UHFFFAOYSA-N 2 1 395.551 3.629 20 0 GHADMP CC[NH+](CC)CC(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180389519 910108402 /nfs/dbraw/zinc/10/84/02/910108402.db2.gz KYFNIZNHUOGKPJ-QHCPKHFHSA-N 2 1 379.548 3.632 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638347342 910127940 /nfs/dbraw/zinc/12/79/40/910127940.db2.gz PDTPYOVYWUYPEX-UNMCSNQZSA-N 2 1 393.531 3.842 20 0 GHADMP O=C(c1ccco1)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638347342 910127951 /nfs/dbraw/zinc/12/79/51/910127951.db2.gz PDTPYOVYWUYPEX-UNMCSNQZSA-N 2 1 393.531 3.842 20 0 GHADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429637 910135881 /nfs/dbraw/zinc/13/58/81/910135881.db2.gz IRUGKFGAWVFYTN-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429637 910135887 /nfs/dbraw/zinc/13/58/87/910135887.db2.gz IRUGKFGAWVFYTN-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001180429637 910135894 /nfs/dbraw/zinc/13/58/94/910135894.db2.gz IRUGKFGAWVFYTN-KAOXLYBCSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H]([NH2+]Cc1nccn1CCc1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000269123466 910149518 /nfs/dbraw/zinc/14/95/18/910149518.db2.gz YBGWUMFMOAAVLL-HXUWFJFHSA-N 2 1 392.547 3.917 20 0 GHADMP CN1CCN(c2ccc(C(F)(F)F)cc2CNCc2cc(C3CC3)no2)CC1 ZINC000638632379 910205508 /nfs/dbraw/zinc/20/55/08/910205508.db2.gz WDFFYLRCSNVTDE-UHFFFAOYSA-N 2 1 394.441 3.612 20 0 GHADMP O=C(CC12CCC[NH+]1CCC2)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001181106057 910538629 /nfs/dbraw/zinc/53/86/29/910538629.db2.gz PHFZPOWVRSFMAF-UHFFFAOYSA-N 2 1 398.938 3.555 20 0 GHADMP C[NH+](C)CCc1ccc(NC(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)cc1 ZINC001181491659 910792138 /nfs/dbraw/zinc/79/21/38/910792138.db2.gz JLJXLUHPAQASCW-UHFFFAOYSA-N 2 1 377.532 3.784 20 0 GHADMP C[NH+]1CCC(N(C(=O)C23CC(C2)CC[N@H+]3Cc2ccccc2)C2CCCC2)CC1 ZINC001181488994 910793043 /nfs/dbraw/zinc/79/30/43/910793043.db2.gz SNXFDEGIEMWBIL-UHFFFAOYSA-N 2 1 395.591 3.907 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+]2Cc2cccc(F)c2)C1 ZINC001181865989 911048004 /nfs/dbraw/zinc/04/80/04/911048004.db2.gz MOISBDZRQWMCDG-HSZRJFAPSA-N 2 1 389.559 3.905 20 0 GHADMP C[N@@H+]1CCC[C@H](CCNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001182939046 912170532 /nfs/dbraw/zinc/17/05/32/912170532.db2.gz YVCBJUZYXBKUBV-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[N@H+]1CCC[C@H](CCNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC001182939046 912170538 /nfs/dbraw/zinc/17/05/38/912170538.db2.gz YVCBJUZYXBKUBV-HSZRJFAPSA-N 2 1 379.548 3.537 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001187293790 915153771 /nfs/dbraw/zinc/15/37/71/915153771.db2.gz SFOUWMNEVPGKOR-BJKOFHAPSA-N 2 1 391.559 3.732 20 0 GHADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1OC ZINC000647344188 915163137 /nfs/dbraw/zinc/16/31/37/915163137.db2.gz LHRQNTOIFOXALY-YHYVQYDKSA-N 2 1 382.548 3.878 20 0 GHADMP c1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000647479806 915290375 /nfs/dbraw/zinc/29/03/75/915290375.db2.gz VESHCQYAGXUYBK-NZQKXSOJSA-N 2 1 387.531 3.898 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000647479806 915290386 /nfs/dbraw/zinc/29/03/86/915290386.db2.gz VESHCQYAGXUYBK-NZQKXSOJSA-N 2 1 387.531 3.898 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479514 915292850 /nfs/dbraw/zinc/29/28/50/915292850.db2.gz JSOLVDOETODIGQ-XMSQKQJNSA-N 2 1 381.520 3.633 20 0 GHADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647479514 915292862 /nfs/dbraw/zinc/29/28/62/915292862.db2.gz JSOLVDOETODIGQ-XMSQKQJNSA-N 2 1 381.520 3.633 20 0 GHADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000647532559 915317713 /nfs/dbraw/zinc/31/77/13/915317713.db2.gz DBIANQMMSLSFER-LADGPHEKSA-N 2 1 391.559 3.751 20 0 GHADMP Cn1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(C(F)(F)F)ccc21 ZINC000647543136 915317985 /nfs/dbraw/zinc/31/79/85/915317985.db2.gz HXCPJAVIQYWMDX-LSDHHAIUSA-N 2 1 380.458 3.804 20 0 GHADMP COc1ccc(Br)cc1C1([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000647800521 915389033 /nfs/dbraw/zinc/38/90/33/915389033.db2.gz DSGLCRFWTRQUQC-ZDUSSCGKSA-N 2 1 390.325 3.960 20 0 GHADMP COc1ccc([C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)c2ccccc2)cc1Br ZINC000647892316 915427505 /nfs/dbraw/zinc/42/75/05/915427505.db2.gz UJWCEBBQBKYPEF-KUHUBIRLSA-N 2 1 375.310 3.746 20 0 GHADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977806 915459556 /nfs/dbraw/zinc/45/95/56/915459556.db2.gz HWJOXEKZFQDJKL-HOJAQTOUSA-N 2 1 383.536 3.664 20 0 GHADMP Cc1cc(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000647978361 915462196 /nfs/dbraw/zinc/46/21/96/915462196.db2.gz QIDZJMJDHFLBLW-SJORKVTESA-N 2 1 385.474 3.562 20 0 GHADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647986624 915465666 /nfs/dbraw/zinc/46/56/66/915465666.db2.gz URVFQBCYOGQLPK-JTAQYXEDSA-N 2 1 393.531 3.697 20 0 GHADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000648748140 915857127 /nfs/dbraw/zinc/85/71/27/915857127.db2.gz VLTPJUNBTOLRPS-PKTZIBPZSA-N 2 1 384.564 3.942 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000648909252 915935236 /nfs/dbraw/zinc/93/52/36/915935236.db2.gz KGYIQEAZZHUPQO-PZJWPPBQSA-N 2 1 382.552 3.815 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000648909252 915935242 /nfs/dbraw/zinc/93/52/42/915935242.db2.gz KGYIQEAZZHUPQO-PZJWPPBQSA-N 2 1 382.552 3.815 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649378591 916129032 /nfs/dbraw/zinc/12/90/32/916129032.db2.gz LQFXEQQVNSVYJV-OXQOHEQNSA-N 2 1 377.960 3.843 20 0 GHADMP CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000295260297 917234309 /nfs/dbraw/zinc/23/43/09/917234309.db2.gz GWTMSQXBTNINTN-OVQGTLEDSA-N 2 1 378.532 3.824 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000295260297 917234324 /nfs/dbraw/zinc/23/43/24/917234324.db2.gz GWTMSQXBTNINTN-OVQGTLEDSA-N 2 1 378.532 3.824 20 0 GHADMP CO[C@@H]1CC[NH+](Cc2ccc(F)c(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000295260297 917234335 /nfs/dbraw/zinc/23/43/35/917234335.db2.gz GWTMSQXBTNINTN-OVQGTLEDSA-N 2 1 378.532 3.824 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1OC ZINC000650722742 917249866 /nfs/dbraw/zinc/24/98/66/917249866.db2.gz ALKNTWQXWQIBQF-HKJQZYRSSA-N 2 1 376.541 3.733 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCCc1ccccc1 ZINC001190373593 917308763 /nfs/dbraw/zinc/30/87/63/917308763.db2.gz BFISHESZURFVGF-URXFXBBRSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCCCc1ccccc1 ZINC001190373593 917308771 /nfs/dbraw/zinc/30/87/71/917308771.db2.gz BFISHESZURFVGF-URXFXBBRSA-N 2 1 393.575 3.720 20 0 GHADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCCc1ccccc1 ZINC001190373593 917308786 /nfs/dbraw/zinc/30/87/86/917308786.db2.gz BFISHESZURFVGF-URXFXBBRSA-N 2 1 393.575 3.720 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cs1 ZINC000775388231 917347471 /nfs/dbraw/zinc/34/74/71/917347471.db2.gz QDBBLUBIKICMDB-ZHALLVOQSA-N 2 1 397.679 3.887 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000652032213 917779033 /nfs/dbraw/zinc/77/90/33/917779033.db2.gz FCIZXTIIWWDECP-WMZOPIPTSA-N 2 1 388.581 3.747 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000652032213 917779043 /nfs/dbraw/zinc/77/90/43/917779043.db2.gz FCIZXTIIWWDECP-WMZOPIPTSA-N 2 1 388.581 3.747 20 0 GHADMP C[NH2+]Cc1ccccc1CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000652172798 917827301 /nfs/dbraw/zinc/82/73/01/917827301.db2.gz LLKXDSDGFLRSRK-PZJWPPBQSA-N 2 1 394.563 3.506 20 0 GHADMP CCn1cc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH2+][C@@H](C)c3cnn(CC)c3)c2)cn1 ZINC000296114559 917862532 /nfs/dbraw/zinc/86/25/32/917862532.db2.gz QOBJGUQBDUHDGK-IRXDYDNUSA-N 2 1 398.530 3.960 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncc(-c4cccc(Cl)c4)o3)C2)C1 ZINC000652348747 917877773 /nfs/dbraw/zinc/87/77/73/917877773.db2.gz PNSUQZRZSZIOFX-JQHSSLGASA-N 2 1 375.900 3.713 20 0 GHADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(SCC[NH+]3CCCC3)cc1)CC2 ZINC000652870963 918045596 /nfs/dbraw/zinc/04/55/96/918045596.db2.gz SBSDCJXJODMLIS-QGZVFWFLSA-N 2 1 384.549 3.581 20 0 GHADMP O=C1CCCCN1C1CC[NH+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001191550813 918067500 /nfs/dbraw/zinc/06/75/00/918067500.db2.gz MFNMCEMCULPURR-UHFFFAOYSA-N 2 1 397.607 3.808 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653119478 918131848 /nfs/dbraw/zinc/13/18/48/918131848.db2.gz LEGUPBVDRBXBSX-MOPGFXCFSA-N 2 1 396.362 3.605 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000380373603 919298587 /nfs/dbraw/zinc/29/85/87/919298587.db2.gz NCYGZQFNZMHVRL-YLJYHZDGSA-N 2 1 378.438 3.851 20 0 GHADMP C[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc2ccccc2c1 ZINC000364403275 919417150 /nfs/dbraw/zinc/41/71/50/919417150.db2.gz ABKCTKGXUSLIBR-MBSDFSHPSA-N 2 1 379.548 3.570 20 0 GHADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000297564132 919442545 /nfs/dbraw/zinc/44/25/45/919442545.db2.gz QDLQHTADBRSFIO-WIYYLYMNSA-N 2 1 391.519 3.529 20 0 GHADMP C[N@@H+](CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000381891581 919712855 /nfs/dbraw/zinc/71/28/55/919712855.db2.gz RFUYYZVRGSBYMN-HXUWFJFHSA-N 2 1 375.557 3.888 20 0 GHADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2nc(Cl)ccc21 ZINC000297926501 919967726 /nfs/dbraw/zinc/96/77/26/919967726.db2.gz XKHBCARQTLTPFG-DFQSSKMNSA-N 2 1 385.939 3.585 20 0 GHADMP CN1c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc2CCC1=O ZINC000800893781 920573960 /nfs/dbraw/zinc/57/39/60/920573960.db2.gz IMCAAKZOAIJVLR-HSZRJFAPSA-N 2 1 391.559 3.986 20 0 GHADMP CN1c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc2CCC1=O ZINC000800893781 920573969 /nfs/dbraw/zinc/57/39/69/920573969.db2.gz IMCAAKZOAIJVLR-HSZRJFAPSA-N 2 1 391.559 3.986 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000298754781 920889087 /nfs/dbraw/zinc/88/90/87/920889087.db2.gz SFGSFTFNSAYLLE-UXHICEINSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000298754781 920889101 /nfs/dbraw/zinc/88/91/01/920889101.db2.gz SFGSFTFNSAYLLE-UXHICEINSA-N 2 1 381.524 3.803 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000367275656 922013124 /nfs/dbraw/zinc/01/31/24/922013124.db2.gz XEQYCLAZNKAWIJ-UHFFFAOYSA-N 2 1 397.441 3.854 20 0 GHADMP Cc1noc(C2CCC([NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)CC2)n1 ZINC000368364038 922624912 /nfs/dbraw/zinc/62/49/12/922624912.db2.gz KTBMSAHSKOFPKU-UHFFFAOYSA-N 2 1 387.528 3.511 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)CC2)cs1 ZINC000368577352 922755672 /nfs/dbraw/zinc/75/56/72/922755672.db2.gz VWOMLJMLJRBPET-ZBFHGGJFSA-N 2 1 391.503 3.617 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC000903147296 922808333 /nfs/dbraw/zinc/80/83/33/922808333.db2.gz GVLQKHUFWOGWRK-URXFXBBRSA-N 2 1 398.522 3.650 20 0 GHADMP C[C@@H]1[NH+](CCCCC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000368823989 922899521 /nfs/dbraw/zinc/89/95/21/922899521.db2.gz OSMOKOIDQNTWNH-SFTDATJTSA-N 2 1 378.601 3.939 20 0 GHADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Cl)c3Br)CC2)C1 ZINC000903459087 923038838 /nfs/dbraw/zinc/03/88/38/923038838.db2.gz ATQJXZISDZBPRX-HOCLYGCPSA-N 2 1 387.749 3.821 20 0 GHADMP Clc1cccc([C@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c2ccccc2)c1 ZINC000903920252 923399066 /nfs/dbraw/zinc/39/90/66/923399066.db2.gz HQPCTGPXDOEFIR-PZJWPPBQSA-N 2 1 381.911 3.735 20 0 GHADMP c1ccc2nc(N3CCOCC3)c(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2c1 ZINC000749111573 924026935 /nfs/dbraw/zinc/02/69/35/924026935.db2.gz MHNXFDISMKKZKE-UHFFFAOYSA-N 2 1 394.563 3.568 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000370725625 924275630 /nfs/dbraw/zinc/27/56/30/924275630.db2.gz UNMILUXXIPRLNR-NZQKXSOJSA-N 2 1 394.563 3.640 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000370725625 924275644 /nfs/dbraw/zinc/27/56/44/924275644.db2.gz UNMILUXXIPRLNR-NZQKXSOJSA-N 2 1 394.563 3.640 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000677237585 924295578 /nfs/dbraw/zinc/29/55/78/924295578.db2.gz XTSKVZKLAVZZRS-ROUUACIJSA-N 2 1 383.492 3.608 20 0 GHADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000677237585 924295583 /nfs/dbraw/zinc/29/55/83/924295583.db2.gz XTSKVZKLAVZZRS-ROUUACIJSA-N 2 1 383.492 3.608 20 0 GHADMP O=C1CCCN1C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000371105690 924430204 /nfs/dbraw/zinc/43/02/04/924430204.db2.gz FZOQNLMJLHROMI-FHWLQOOXSA-N 2 1 395.469 3.585 20 0 GHADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000678126159 924620678 /nfs/dbraw/zinc/62/06/78/924620678.db2.gz CNNOCCAKCJOLBM-JOCHJYFZSA-N 2 1 384.520 3.981 20 0 GHADMP Cc1cc([C@@H]([NH3+])CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc(Cl)n1 ZINC000827050286 924684153 /nfs/dbraw/zinc/68/41/53/924684153.db2.gz WKPVTKMMVMHGEE-IBGZPJMESA-N 2 1 388.943 3.590 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000678258922 924692460 /nfs/dbraw/zinc/69/24/60/924692460.db2.gz RVQNKAOMDGIKLV-DEOSSOPVSA-N 2 1 378.564 3.666 20 0 GHADMP CN(c1ccccc1)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000678258922 924692464 /nfs/dbraw/zinc/69/24/64/924692464.db2.gz RVQNKAOMDGIKLV-DEOSSOPVSA-N 2 1 378.564 3.666 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000678338897 924732957 /nfs/dbraw/zinc/73/29/57/924732957.db2.gz IANATDRCJRCQOJ-MCNSAMFCSA-N 2 1 376.541 3.556 20 0 GHADMP CC[C@H](C)Oc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000678338897 924732967 /nfs/dbraw/zinc/73/29/67/924732967.db2.gz IANATDRCJRCQOJ-MCNSAMFCSA-N 2 1 376.541 3.556 20 0 GHADMP CC(C)[N@@H+](Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1)C[C@H]1CCCCO1 ZINC000678798363 924927590 /nfs/dbraw/zinc/92/75/90/924927590.db2.gz XHJRMJCVWIXUPY-FGZHOGPDSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2CCCC[NH+]2C)cc1)C[C@H]1CCCCO1 ZINC000678798363 924927594 /nfs/dbraw/zinc/92/75/94/924927594.db2.gz XHJRMJCVWIXUPY-FGZHOGPDSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1)C[C@H]1CCCCO1 ZINC000678798363 924927598 /nfs/dbraw/zinc/92/75/98/924927598.db2.gz XHJRMJCVWIXUPY-FGZHOGPDSA-N 2 1 387.568 3.889 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1)C[C@H]1CCCCO1 ZINC000678798363 924927609 /nfs/dbraw/zinc/92/76/09/924927609.db2.gz XHJRMJCVWIXUPY-FGZHOGPDSA-N 2 1 387.568 3.889 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679333557 925098713 /nfs/dbraw/zinc/09/87/13/925098713.db2.gz PNMAZYVBDYZKNS-QZTJIDSGSA-N 2 1 378.314 3.854 20 0 GHADMP CC(C)(C)c1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)[nH]1 ZINC001137376998 925164162 /nfs/dbraw/zinc/16/41/62/925164162.db2.gz YTSGPAFDZSCNHT-UHFFFAOYSA-N 2 1 396.579 3.822 20 0 GHADMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)C1 ZINC001137394885 925335451 /nfs/dbraw/zinc/33/54/51/925335451.db2.gz BTJBZSVWBYGSNZ-JOCHJYFZSA-N 2 1 393.531 3.598 20 0 GHADMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(-c4ccncc4)c3)CC2)C1 ZINC001137394885 925335459 /nfs/dbraw/zinc/33/54/59/925335459.db2.gz BTJBZSVWBYGSNZ-JOCHJYFZSA-N 2 1 393.531 3.598 20 0 GHADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000680378679 925460625 /nfs/dbraw/zinc/46/06/25/925460625.db2.gz FJZGENIXYKINRL-ROUUACIJSA-N 2 1 388.577 3.992 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000410361467 925569690 /nfs/dbraw/zinc/56/96/90/925569690.db2.gz CACRRZPAUABEJM-IBGZPJMESA-N 2 1 386.584 3.735 20 0 GHADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)C1 ZINC000410368926 925582589 /nfs/dbraw/zinc/58/25/89/925582589.db2.gz QHTYOJCSKAQQIX-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000410368926 925582594 /nfs/dbraw/zinc/58/25/94/925582594.db2.gz QHTYOJCSKAQQIX-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1CCC[NH+](CCNC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000410368926 925582607 /nfs/dbraw/zinc/58/26/07/925582607.db2.gz QHTYOJCSKAQQIX-WOJBJXKFSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410370020 925587476 /nfs/dbraw/zinc/58/74/76/925587476.db2.gz ZMULDGPTWNEJCX-PMACEKPBSA-N 2 1 386.584 3.592 20 0 GHADMP COc1cc(OC)c(C2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c(OC)c1 ZINC000681655204 925868313 /nfs/dbraw/zinc/86/83/13/925868313.db2.gz XRPZQKHTSOIXFZ-UHFFFAOYSA-N 2 1 388.552 3.766 20 0 GHADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000373200969 925929870 /nfs/dbraw/zinc/92/98/70/925929870.db2.gz IEZAOVHSYFVBFI-GOSISDBHSA-N 2 1 394.441 3.554 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000411437841 926403358 /nfs/dbraw/zinc/40/33/58/926403358.db2.gz LTUWLVJJOULKLU-LBPRGKRZSA-N 2 1 390.330 3.772 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000725717223 926415411 /nfs/dbraw/zinc/41/54/11/926415411.db2.gz HUCBQZQKNGEDPT-FQEVSTJZSA-N 2 1 384.568 3.779 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000373934685 926571857 /nfs/dbraw/zinc/57/18/57/926571857.db2.gz QVGOYOZGLGAYNU-VQTJNVASSA-N 2 1 381.524 3.803 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000373934685 926571873 /nfs/dbraw/zinc/57/18/73/926571873.db2.gz QVGOYOZGLGAYNU-VQTJNVASSA-N 2 1 381.524 3.803 20 0 GHADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)c1ccco1 ZINC000411687946 926655517 /nfs/dbraw/zinc/65/55/17/926655517.db2.gz BGIPBQKZFFHVMV-JOCHJYFZSA-N 2 1 395.547 3.908 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000374286940 926983018 /nfs/dbraw/zinc/98/30/18/926983018.db2.gz IEGCRIBUOXDTTI-XLIONFOSSA-N 2 1 383.502 3.909 20 0 GHADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000466928158 928512563 /nfs/dbraw/zinc/51/25/63/928512563.db2.gz ZMTJWALHSMWILU-FQEVSTJZSA-N 2 1 387.568 3.516 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2Br)CC1 ZINC000751962987 928515917 /nfs/dbraw/zinc/51/59/17/928515917.db2.gz DJMOSFMTWHQIJB-IBGZPJMESA-N 2 1 383.374 3.926 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000543872349 928518973 /nfs/dbraw/zinc/51/89/73/928518973.db2.gz RHOHTQCPQJJJOX-GOSISDBHSA-N 2 1 375.557 3.856 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000544232647 928959619 /nfs/dbraw/zinc/95/96/19/928959619.db2.gz LYNKRTQFMMMYRK-FPOVZHCZSA-N 2 1 398.595 3.828 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000544343879 929072335 /nfs/dbraw/zinc/07/23/35/929072335.db2.gz TVMIVDAJJQPCIC-YHYVQYDKSA-N 2 1 399.966 3.970 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000544343879 929072341 /nfs/dbraw/zinc/07/23/41/929072341.db2.gz TVMIVDAJJQPCIC-YHYVQYDKSA-N 2 1 399.966 3.970 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000753534852 929394699 /nfs/dbraw/zinc/39/46/99/929394699.db2.gz GDAUUELMIDRGMA-PXNSSMCTSA-N 2 1 399.539 3.843 20 0 GHADMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC1 ZINC000469489162 929934436 /nfs/dbraw/zinc/93/44/36/929934436.db2.gz CHPFARWZYKHMKQ-UHFFFAOYSA-N 2 1 382.346 3.570 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000758735494 930152988 /nfs/dbraw/zinc/15/29/88/930152988.db2.gz AUVUXTIXUAYASK-GOTSBHOMSA-N 2 1 398.595 3.776 20 0 GHADMP CCC[N@H+](Cc1cn(-c2ccc(Br)cc2)nc1C)C1CC[NH2+]CC1 ZINC000470008691 930313018 /nfs/dbraw/zinc/31/30/18/930313018.db2.gz MKXDUCVQFJMIJP-UHFFFAOYSA-N 2 1 391.357 3.907 20 0 GHADMP CCC[N@@H+](Cc1cn(-c2ccc(Br)cc2)nc1C)C1CC[NH2+]CC1 ZINC000470008691 930313026 /nfs/dbraw/zinc/31/30/26/930313026.db2.gz MKXDUCVQFJMIJP-UHFFFAOYSA-N 2 1 391.357 3.907 20 0 GHADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000470133700 930397199 /nfs/dbraw/zinc/39/71/99/930397199.db2.gz NMQWXONFMCBNAO-HBAHCVPVSA-N 2 1 392.543 3.618 20 0 GHADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(Cl)c1 ZINC000470368025 930565982 /nfs/dbraw/zinc/56/59/82/930565982.db2.gz WBQQEIGGIUGWQI-LAUBAEHRSA-N 2 1 399.966 3.931 20 0 GHADMP C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780878222 930624335 /nfs/dbraw/zinc/62/43/35/930624335.db2.gz IVSWTZITSWGFHQ-YYWHXJBOSA-N 2 1 387.568 3.790 20 0 GHADMP C[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000470668429 930804745 /nfs/dbraw/zinc/80/47/45/930804745.db2.gz OLHSYPDSVBPNHF-FSZRXZPDSA-N 2 1 385.474 3.686 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000781421822 930837167 /nfs/dbraw/zinc/83/71/67/930837167.db2.gz LQKFYWRFXVSZTR-YPAWHYETSA-N 2 1 399.579 3.744 20 0 GHADMP CC(C)OC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000781424751 930840001 /nfs/dbraw/zinc/84/00/01/930840001.db2.gz YOXUEYPDJAPBEI-AKIFATBCSA-N 2 1 399.579 3.886 20 0 GHADMP CC1(C)CCc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2O1 ZINC000781641850 930922074 /nfs/dbraw/zinc/92/20/74/930922074.db2.gz UYSXWSDTSDUBOE-QFIPXVFZSA-N 2 1 380.532 3.647 20 0 GHADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1-c1ccccc1 ZINC000781922838 931031229 /nfs/dbraw/zinc/03/12/29/931031229.db2.gz KYPMOTFEZBGNOU-JPYJTQIMSA-N 2 1 390.531 3.598 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000557262756 931308553 /nfs/dbraw/zinc/30/85/53/931308553.db2.gz WENJRHQKOAUCCI-UWJYYQICSA-N 2 1 385.939 3.713 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000557262756 931308560 /nfs/dbraw/zinc/30/85/60/931308560.db2.gz WENJRHQKOAUCCI-UWJYYQICSA-N 2 1 385.939 3.713 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3)C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000782770148 931331193 /nfs/dbraw/zinc/33/11/93/931331193.db2.gz XJOKCGFZKKLEBF-QHCPKHFHSA-N 2 1 380.536 3.820 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000782778330 931333413 /nfs/dbraw/zinc/33/34/13/931333413.db2.gz LLBJHCKGEYCNLS-DQEYMECFSA-N 2 1 394.559 3.901 20 0 GHADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(-c4ccccc4)no3)cn2)CC1 ZINC000924690475 931476907 /nfs/dbraw/zinc/47/69/07/931476907.db2.gz RCSGIPMUBKFEDW-GOSISDBHSA-N 2 1 391.519 3.729 20 0 GHADMP C[NH+]1CCC(O)(C[NH2+][C@H](c2cccnc2)c2ccc(Cl)cc2Cl)CC1 ZINC000925110943 931651004 /nfs/dbraw/zinc/65/10/04/931651004.db2.gz BAHAROKEPCGKCX-GOSISDBHSA-N 2 1 380.319 3.524 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1OC ZINC000557844030 931718108 /nfs/dbraw/zinc/71/81/08/931718108.db2.gz KMIFWLGXPSVGRK-FXAWDEMLSA-N 2 1 384.520 3.855 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1OC ZINC000557844030 931718109 /nfs/dbraw/zinc/71/81/09/931718109.db2.gz KMIFWLGXPSVGRK-FXAWDEMLSA-N 2 1 384.520 3.855 20 0 GHADMP O[C@H]1CCC[C@H]1[NH+]1CCC(NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000925557861 931822510 /nfs/dbraw/zinc/82/25/10/931822510.db2.gz QBPGSJMMLDEIDY-HRSYOHRGSA-N 2 1 397.607 3.540 20 0 GHADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000558732022 932198864 /nfs/dbraw/zinc/19/88/64/932198864.db2.gz NFRXDRCWSGLMGE-QHCPKHFHSA-N 2 1 382.548 3.606 20 0 GHADMP Cn1ccnc1[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1 ZINC000926553704 932226654 /nfs/dbraw/zinc/22/66/54/932226654.db2.gz AFUKUBDIWBOPRH-IMCXTFKOSA-N 2 1 394.563 3.816 20 0 GHADMP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000926685455 932272224 /nfs/dbraw/zinc/27/22/24/932272224.db2.gz GVWXLRXEDIMCTG-YFYOVATESA-N 2 1 386.580 3.728 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000798934021 932821653 /nfs/dbraw/zinc/82/16/53/932821653.db2.gz BAKTZIZSWGTUCM-WZONZLPQSA-N 2 1 377.536 3.909 20 0 GHADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)n2n1 ZINC000798934021 932821659 /nfs/dbraw/zinc/82/16/59/932821659.db2.gz BAKTZIZSWGTUCM-WZONZLPQSA-N 2 1 377.536 3.909 20 0 GHADMP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000798935433 932823423 /nfs/dbraw/zinc/82/34/23/932823423.db2.gz ORBIXEKXOLZTDR-CYFREDJKSA-N 2 1 395.547 3.914 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1OC ZINC000559751784 932838333 /nfs/dbraw/zinc/83/83/33/932838333.db2.gz MJVDGWGWCHEWJP-VQTJNVASSA-N 2 1 384.520 3.680 20 0 GHADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c(OC)c1OC ZINC000559751784 932838338 /nfs/dbraw/zinc/83/83/38/932838338.db2.gz MJVDGWGWCHEWJP-VQTJNVASSA-N 2 1 384.520 3.680 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559784492 932853606 /nfs/dbraw/zinc/85/36/06/932853606.db2.gz IKWLOSZHQATNPI-CVDCTZTESA-N 2 1 384.520 3.898 20 0 GHADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000559784492 932853612 /nfs/dbraw/zinc/85/36/12/932853612.db2.gz IKWLOSZHQATNPI-CVDCTZTESA-N 2 1 384.520 3.898 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C2)CC1 ZINC000799176938 932898169 /nfs/dbraw/zinc/89/81/69/932898169.db2.gz GUDCJWOMVDUPCE-GOSISDBHSA-N 2 1 395.469 3.619 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C2)CC1 ZINC000799176941 932898456 /nfs/dbraw/zinc/89/84/56/932898456.db2.gz GUDCJWOMVDUPCE-SFHVURJKSA-N 2 1 395.469 3.619 20 0 GHADMP Cc1cc(C)cc(OCc2noc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)n2)c1 ZINC000799178157 932900194 /nfs/dbraw/zinc/90/01/94/932900194.db2.gz OGMPLFORAGWRMA-UHFFFAOYSA-N 2 1 384.524 3.573 20 0 GHADMP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)n2)c1 ZINC000799178157 932900197 /nfs/dbraw/zinc/90/01/97/932900197.db2.gz OGMPLFORAGWRMA-UHFFFAOYSA-N 2 1 384.524 3.573 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000799178910 932900734 /nfs/dbraw/zinc/90/07/34/932900734.db2.gz QRDCSAGZAQVSSL-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)CC1 ZINC000799178910 932900749 /nfs/dbraw/zinc/90/07/49/932900749.db2.gz QRDCSAGZAQVSSL-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)CC1 ZINC000799178910 932900759 /nfs/dbraw/zinc/90/07/59/932900759.db2.gz QRDCSAGZAQVSSL-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP COCCn1cc2c(n1)[C@@H]([NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)CCC2 ZINC000560547970 933332781 /nfs/dbraw/zinc/33/27/81/933332781.db2.gz APSNVAWVGHZWRO-VNXZQDSDSA-N 2 1 396.579 3.940 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)c2)CC1 ZINC001116373363 933516394 /nfs/dbraw/zinc/51/63/94/933516394.db2.gz CGKBWJHNDTWRIG-NOZRDPDXSA-N 2 1 393.575 3.692 20 0 GHADMP CC[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F)[NH+](C)C ZINC000560745076 933521599 /nfs/dbraw/zinc/52/15/99/933521599.db2.gz YQPLYEPEYDDWNU-HOTGVXAUSA-N 2 1 393.881 3.722 20 0 GHADMP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000561239673 933983229 /nfs/dbraw/zinc/98/32/29/933983229.db2.gz ATJDBXBPSIGSEP-GURQWTFNSA-N 2 1 384.568 3.577 20 0 GHADMP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000561239673 933983234 /nfs/dbraw/zinc/98/32/34/933983234.db2.gz ATJDBXBPSIGSEP-GURQWTFNSA-N 2 1 384.568 3.577 20 0 GHADMP Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH2+][C@@H](C)c3cnn(C)c3C)c2)cnn1C ZINC001117801559 934033252 /nfs/dbraw/zinc/03/32/52/934033252.db2.gz SBZRRLUJKGRKKY-GJZGRUSLSA-N 2 1 398.530 3.611 20 0 GHADMP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000562080345 934678907 /nfs/dbraw/zinc/67/89/07/934678907.db2.gz SWMGFTJDJFKUHG-QHCPKHFHSA-N 2 1 396.579 3.556 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccn2ccnc2c1 ZINC000562083760 934681959 /nfs/dbraw/zinc/68/19/59/934681959.db2.gz HCSXODLWSGPIBB-IBGZPJMESA-N 2 1 377.492 3.757 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1scnc1Cl)CC2 ZINC001137818827 935806587 /nfs/dbraw/zinc/80/65/87/935806587.db2.gz ZCYDPQGKHOSWAJ-AWEZNQCLSA-N 2 1 381.929 3.645 20 0 GHADMP CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1scnc1Cl)CC2 ZINC001137818827 935806589 /nfs/dbraw/zinc/80/65/89/935806589.db2.gz ZCYDPQGKHOSWAJ-AWEZNQCLSA-N 2 1 381.929 3.645 20 0 GHADMP Cc1cccc(C)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001137849298 935823009 /nfs/dbraw/zinc/82/30/09/935823009.db2.gz KVUQYLITDWITCI-JOCHJYFZSA-N 2 1 379.548 3.954 20 0 GHADMP Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)cc2)cc1 ZINC001137896542 935852252 /nfs/dbraw/zinc/85/22/52/935852252.db2.gz HDMDEOJWMQDEPO-LOSJGSFVSA-N 2 1 392.591 3.973 20 0 GHADMP C[N@H+](Cc1ccccc1)[C@H](C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001220681189 1032059948 /nfs/dbraw/zinc/05/99/48/1032059948.db2.gz YQMYRGQKXMGVMB-AFXVXQJMSA-N 2 1 377.532 3.649 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H](C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001220681189 1032059959 /nfs/dbraw/zinc/05/99/59/1032059959.db2.gz YQMYRGQKXMGVMB-AFXVXQJMSA-N 2 1 377.532 3.649 20 0 GHADMP C[N@@H+]1C[C@]23C[NH+](C[C@@H](O)COc4cc(Cl)cc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001460976521 1069310997 /nfs/dbraw/zinc/31/09/97/1069310997.db2.gz PFMZJSNLULRJLR-RLLQIKCJSA-N 2 1 399.362 3.541 20 0 GHADMP C[N@H+]1C[C@]23C[NH+](C[C@@H](O)COc4cc(Cl)cc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001460976521 1069311013 /nfs/dbraw/zinc/31/10/13/1069311013.db2.gz PFMZJSNLULRJLR-RLLQIKCJSA-N 2 1 399.362 3.541 20 0 GHADMP C[NH+]1C[C@]23C[N@H+](C[C@@H](O)COc4cc(Cl)cc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001460976521 1069311033 /nfs/dbraw/zinc/31/10/33/1069311033.db2.gz PFMZJSNLULRJLR-RLLQIKCJSA-N 2 1 399.362 3.541 20 0 GHADMP C[NH+]1C[C@]23C[N@@H+](C[C@@H](O)COc4cc(Cl)cc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001460976521 1069311050 /nfs/dbraw/zinc/31/10/50/1069311050.db2.gz PFMZJSNLULRJLR-RLLQIKCJSA-N 2 1 399.362 3.541 20 0 GHADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001626015048 1014774994 /nfs/dbraw/zinc/77/49/94/1014774994.db2.gz GDEDKCKELLVSDA-UHFFFAOYSA-N 2 1 397.588 3.657 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000468490320 1015750039 /nfs/dbraw/zinc/75/00/39/1015750039.db2.gz XBHUJKMIQXKGKD-GOSISDBHSA-N 2 1 397.567 3.848 20 0 GHADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)CC1 ZINC000469033613 1016358057 /nfs/dbraw/zinc/35/80/57/1016358057.db2.gz SOUMIHHUAZOFOL-HXUWFJFHSA-N 2 1 377.960 3.714 20 0 GHADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000469117185 1016510066 /nfs/dbraw/zinc/51/00/66/1016510066.db2.gz XGRXMHTYKINPMQ-SVMVAKDDSA-N 2 1 378.520 3.725 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000469765646 1016617974 /nfs/dbraw/zinc/61/79/74/1016617974.db2.gz USIXMMKDMJKQIZ-HOTGVXAUSA-N 2 1 387.474 3.650 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]21 ZINC000469869772 1016651284 /nfs/dbraw/zinc/65/12/84/1016651284.db2.gz GMPXWDYXAKPQSW-MBNYWOFBSA-N 2 1 375.257 3.610 20 0 GHADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(Br)c3)C[C@@H]21 ZINC000469869772 1016651293 /nfs/dbraw/zinc/65/12/93/1016651293.db2.gz GMPXWDYXAKPQSW-MBNYWOFBSA-N 2 1 375.257 3.610 20 0 GHADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC001308207395 1049912913 /nfs/dbraw/zinc/91/29/13/1049912913.db2.gz OPNIWGAHEZPVQD-UHFFFAOYSA-N 2 1 378.323 3.705 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C[C@H]1C ZINC001220874526 1032166759 /nfs/dbraw/zinc/16/67/59/1032166759.db2.gz RUBHANPSBKYJIG-ZCNNSNEGSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C[C@H]1C ZINC001220874526 1032166768 /nfs/dbraw/zinc/16/67/68/1032166768.db2.gz RUBHANPSBKYJIG-ZCNNSNEGSA-N 2 1 386.584 3.685 20 0 GHADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C[C@H]1C ZINC001220874526 1032166775 /nfs/dbraw/zinc/16/67/75/1032166775.db2.gz RUBHANPSBKYJIG-ZCNNSNEGSA-N 2 1 386.584 3.685 20 0 GHADMP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1)Cc1cccc2ccccc21 ZINC001220917384 1032188567 /nfs/dbraw/zinc/18/85/67/1032188567.db2.gz XWPMOIFOBSRKDA-PKTZIBPZSA-N 2 1 393.575 3.871 20 0 GHADMP C[N@@H+](CCC(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)Cc1ccccc1 ZINC001221033825 1032245606 /nfs/dbraw/zinc/24/56/06/1032245606.db2.gz KVQHJXUXPLDARZ-QHCPKHFHSA-N 2 1 383.511 3.505 20 0 GHADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001221071150 1032267139 /nfs/dbraw/zinc/26/71/39/1032267139.db2.gz KHPIGPDYFDWFIQ-OALUTQOASA-N 2 1 392.613 3.645 20 0 GHADMP CCCCC[N@@H+](C)CCC(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204195 1032329576 /nfs/dbraw/zinc/32/95/76/1032329576.db2.gz HWHHJGRBFMSHCZ-NRFANRHFSA-N 2 1 377.548 3.885 20 0 GHADMP Cc1csc2sc(C[N@@H+]3CC[C@@H]4[C@H]3CCC(=O)N4CC[NH+](C)C)c(C)c12 ZINC001277201493 1032383301 /nfs/dbraw/zinc/38/33/01/1032383301.db2.gz XNMORYQYDJZVQM-HZPDHXFCSA-N 2 1 391.606 3.707 20 0 GHADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC001221435041 1032413409 /nfs/dbraw/zinc/41/34/09/1032413409.db2.gz ISFWATXNHNLEET-NJDAHSKKSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001221435041 1032413416 /nfs/dbraw/zinc/41/34/16/1032413416.db2.gz ISFWATXNHNLEET-NJDAHSKKSA-N 2 1 392.632 3.793 20 0 GHADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001221435041 1032413423 /nfs/dbraw/zinc/41/34/23/1032413423.db2.gz ISFWATXNHNLEET-NJDAHSKKSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1ccc(Cl)nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357717 1032516168 /nfs/dbraw/zinc/51/61/68/1032516168.db2.gz IXSPZEXUJXLUGF-IBGZPJMESA-N 2 1 384.955 3.957 20 0 GHADMP CCc1ncnc(Cl)c1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155359006 1032517428 /nfs/dbraw/zinc/51/74/28/1032517428.db2.gz WVOKATGKBVCXRS-SFHVURJKSA-N 2 1 399.970 3.606 20 0 GHADMP Fc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2[nH]ccc21 ZINC001155361503 1032518723 /nfs/dbraw/zinc/51/87/23/1032518723.db2.gz ARYCKDBBZYZCRE-GOSISDBHSA-N 2 1 393.510 3.616 20 0 GHADMP c1nc2ccnc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2s1 ZINC001155361507 1032519025 /nfs/dbraw/zinc/51/90/25/1032519025.db2.gz AUSCLCDEXRYOLP-GOSISDBHSA-N 2 1 393.560 3.605 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC001221794397 1032537256 /nfs/dbraw/zinc/53/72/56/1032537256.db2.gz LNJDIUHWTZOKAJ-BAGYTPMASA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001221794397 1032537263 /nfs/dbraw/zinc/53/72/63/1032537263.db2.gz LNJDIUHWTZOKAJ-BAGYTPMASA-N 2 1 386.584 3.603 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001221794397 1032537269 /nfs/dbraw/zinc/53/72/69/1032537269.db2.gz LNJDIUHWTZOKAJ-BAGYTPMASA-N 2 1 386.584 3.603 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC001221912972 1032570895 /nfs/dbraw/zinc/57/08/95/1032570895.db2.gz AUZYDVQOHYWAPQ-UXHICEINSA-N 2 1 380.621 3.697 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155588119 1032589621 /nfs/dbraw/zinc/58/96/21/1032589621.db2.gz PUYFRHOQBVFMDG-RYRKJORJSA-N 2 1 393.560 3.830 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001204148714 1032603132 /nfs/dbraw/zinc/60/31/32/1032603132.db2.gz VMHCKRLQKDJSHT-WBADGQHESA-N 2 1 380.532 3.868 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001204148714 1032603134 /nfs/dbraw/zinc/60/31/34/1032603134.db2.gz VMHCKRLQKDJSHT-WBADGQHESA-N 2 1 380.532 3.868 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001204148714 1032603141 /nfs/dbraw/zinc/60/31/41/1032603141.db2.gz VMHCKRLQKDJSHT-WBADGQHESA-N 2 1 380.532 3.868 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001204158127 1032609411 /nfs/dbraw/zinc/60/94/11/1032609411.db2.gz JWLVJLSPJOSSKL-QGZVFWFLSA-N 2 1 398.469 3.945 20 0 GHADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC001227864060 1032653819 /nfs/dbraw/zinc/65/38/19/1032653819.db2.gz RPQHNLXNOIVEHD-UHFFFAOYSA-N 2 1 388.600 3.838 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC001204267032 1032709269 /nfs/dbraw/zinc/70/92/69/1032709269.db2.gz CZGDWVZRTRFUIN-UKILVPOCSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC001204267032 1032709282 /nfs/dbraw/zinc/70/92/82/1032709282.db2.gz CZGDWVZRTRFUIN-UKILVPOCSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)cc1 ZINC001204267032 1032709301 /nfs/dbraw/zinc/70/93/01/1032709301.db2.gz CZGDWVZRTRFUIN-UKILVPOCSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001204266454 1032709343 /nfs/dbraw/zinc/70/93/43/1032709343.db2.gz XEHVWENWWHIHNK-UHFFFAOYSA-N 2 1 385.596 3.858 20 0 GHADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000930346427 1017823071 /nfs/dbraw/zinc/82/30/71/1017823071.db2.gz DYQUPKZFYNASMK-SGNDLWITSA-N 2 1 396.575 3.751 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000930346427 1017823088 /nfs/dbraw/zinc/82/30/88/1017823088.db2.gz DYQUPKZFYNASMK-SGNDLWITSA-N 2 1 396.575 3.751 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000564933545 1019132184 /nfs/dbraw/zinc/13/21/84/1019132184.db2.gz BQOKNURZYDGRJT-COPCDDAFSA-N 2 1 379.548 3.882 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccc(Cl)cc1 ZINC001228157365 1032814074 /nfs/dbraw/zinc/81/40/74/1032814074.db2.gz QSNHTRLARSYPAA-LJQANCHMSA-N 2 1 382.980 3.705 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(-c4ncco4)cc3C)CC2)CC1 ZINC000566748937 1019253787 /nfs/dbraw/zinc/25/37/87/1019253787.db2.gz QOUXNZGNQXPALV-UHFFFAOYSA-N 2 1 396.535 3.785 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000568738832 1019444934 /nfs/dbraw/zinc/44/49/34/1019444934.db2.gz YIMLMLCIDIZROD-JOCHJYFZSA-N 2 1 382.552 3.601 20 0 GHADMP CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001204415976 1032845618 /nfs/dbraw/zinc/84/56/18/1032845618.db2.gz PVYMCAPRKZLTSM-IBGZPJMESA-N 2 1 386.458 3.908 20 0 GHADMP CCc1ccc([C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[NH+](CC)CC)cc1 ZINC000571576655 1019687551 /nfs/dbraw/zinc/68/75/51/1019687551.db2.gz OSIVZGNLWFRBQV-UNMCSNQZSA-N 2 1 382.552 3.516 20 0 GHADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C12CCC2 ZINC000571825500 1019715486 /nfs/dbraw/zinc/71/54/86/1019715486.db2.gz RPOSXROKBSBMOG-JMJGKCIBSA-N 2 1 398.591 3.708 20 0 GHADMP CCOc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000156919399 1019773390 /nfs/dbraw/zinc/77/33/90/1019773390.db2.gz UEEMDXRCBWPXBK-GCJKJVERSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000576444957 1020013987 /nfs/dbraw/zinc/01/39/87/1020013987.db2.gz ANWYCUSGJKMMQW-YJBOKZPZSA-N 2 1 395.519 3.989 20 0 GHADMP Clc1ccc(OCc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000577493173 1020212287 /nfs/dbraw/zinc/21/22/87/1020212287.db2.gz WISDDJQFDMTQFM-GASCZTMLSA-N 2 1 377.941 3.807 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000579275433 1020400074 /nfs/dbraw/zinc/40/00/74/1020400074.db2.gz XINXAMQXIATQDR-IEZKXTBUSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000579275433 1020400076 /nfs/dbraw/zinc/40/00/76/1020400076.db2.gz XINXAMQXIATQDR-IEZKXTBUSA-N 2 1 393.575 3.703 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1 ZINC000579344928 1020407264 /nfs/dbraw/zinc/40/72/64/1020407264.db2.gz NCQUTECANOUMTG-OFNKIYASSA-N 2 1 382.548 3.858 20 0 GHADMP [NH3+][C@H]1CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)C1 ZINC001156232929 1032934734 /nfs/dbraw/zinc/93/47/34/1032934734.db2.gz LVLNGQIWRSQOOO-KRWDZBQOSA-N 2 1 393.560 3.882 20 0 GHADMP O=C(NCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000638608801 1021048838 /nfs/dbraw/zinc/04/88/38/1021048838.db2.gz LOLCOXSWVRJSAU-UWJYYQICSA-N 2 1 399.485 3.652 20 0 GHADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000834502504 1021229306 /nfs/dbraw/zinc/22/93/06/1021229306.db2.gz QKULITDUXOQOJF-OLKYXYMISA-N 2 1 380.532 3.761 20 0 GHADMP Cc1nc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001156313827 1032974816 /nfs/dbraw/zinc/97/48/16/1032974816.db2.gz CUNHQSYVRUCUTL-PCCBWWKXSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001156313827 1032974820 /nfs/dbraw/zinc/97/48/20/1032974820.db2.gz CUNHQSYVRUCUTL-PCCBWWKXSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1nc(N2CCCC2)cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001156313827 1032974826 /nfs/dbraw/zinc/97/48/26/1032974826.db2.gz CUNHQSYVRUCUTL-PCCBWWKXSA-N 2 1 377.536 3.708 20 0 GHADMP Cc1cc(N2CCCC2)nc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[nH+]1 ZINC001156314316 1032974992 /nfs/dbraw/zinc/97/49/92/1032974992.db2.gz FNWUSMNCZJYUCP-NJDAHSKKSA-N 2 1 377.536 3.708 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cnc3ccc(Br)cn23)CC1 ZINC001140373165 1021514273 /nfs/dbraw/zinc/51/42/73/1021514273.db2.gz YSLGCKLWTLTQDR-UHFFFAOYSA-N 2 1 379.346 3.649 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CCC(S(C)(=O)=O)CC2)CC1 ZINC000903155387 1021579574 /nfs/dbraw/zinc/57/95/74/1021579574.db2.gz WRIUBIMOMHPSPL-UHFFFAOYSA-N 2 1 392.609 3.623 20 0 GHADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834892348 1021633341 /nfs/dbraw/zinc/63/33/41/1021633341.db2.gz LWXPGVUGEDVVIM-XCDJFROHSA-N 2 1 387.568 3.726 20 0 GHADMP COC(=O)COc1ccccc1C[N@@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140425796 1021668034 /nfs/dbraw/zinc/66/80/34/1021668034.db2.gz KZJKEUZARHGCPL-UHFFFAOYSA-N 2 1 396.531 3.582 20 0 GHADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000678285342 1021916531 /nfs/dbraw/zinc/91/65/31/1021916531.db2.gz WZVLPZPJIOXUFX-HXUWFJFHSA-N 2 1 396.535 3.766 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000679086886 1021958881 /nfs/dbraw/zinc/95/88/81/1021958881.db2.gz ONBLSDBURSJJCR-NZSAHSFTSA-N 2 1 388.531 3.677 20 0 GHADMP C[C@@H]1CCCC[NH+]1CC(=O)Nc1ccc(F)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000679086886 1021958883 /nfs/dbraw/zinc/95/88/83/1021958883.db2.gz ONBLSDBURSJJCR-NZSAHSFTSA-N 2 1 388.531 3.677 20 0 GHADMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1O ZINC001140577961 1021997804 /nfs/dbraw/zinc/99/78/04/1021997804.db2.gz SVFGKIQADJEDAF-QFIPXVFZSA-N 2 1 380.532 3.956 20 0 GHADMP Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(N2CCCC2)[nH+]1 ZINC000679700405 1022037838 /nfs/dbraw/zinc/03/78/38/1022037838.db2.gz ILDYJLOOTURCSP-QFIPXVFZSA-N 2 1 392.547 3.519 20 0 GHADMP Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(N2CCCC2)[nH+]1 ZINC000679700405 1022037854 /nfs/dbraw/zinc/03/78/54/1022037854.db2.gz ILDYJLOOTURCSP-QFIPXVFZSA-N 2 1 392.547 3.519 20 0 GHADMP CSc1ncc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(NC2CCCC2)n1 ZINC001204735029 1033054032 /nfs/dbraw/zinc/05/40/32/1033054032.db2.gz JPIJKHZKTHFSEI-UHFFFAOYSA-N 2 1 375.586 3.519 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001140798425 1022561389 /nfs/dbraw/zinc/56/13/89/1022561389.db2.gz MKBOTPFERRPKLX-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001140798425 1022561400 /nfs/dbraw/zinc/56/14/00/1022561400.db2.gz MKBOTPFERRPKLX-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001140798425 1022561410 /nfs/dbraw/zinc/56/14/10/1022561410.db2.gz MKBOTPFERRPKLX-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001140798425 1022561417 /nfs/dbraw/zinc/56/14/17/1022561417.db2.gz MKBOTPFERRPKLX-IFMALSPDSA-N 2 1 385.939 3.766 20 0 GHADMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CCO1 ZINC001204756320 1033068003 /nfs/dbraw/zinc/06/80/03/1033068003.db2.gz NJIFBENCLWHMQX-IBGZPJMESA-N 2 1 380.410 3.802 20 0 GHADMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC001204770539 1033083325 /nfs/dbraw/zinc/08/33/25/1033083325.db2.gz HQGICGGFPNTAMC-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4nc5ccccc5[nH]4)CC3)C2)cc1 ZINC001204770539 1033083334 /nfs/dbraw/zinc/08/33/34/1033083334.db2.gz HQGICGGFPNTAMC-UHFFFAOYSA-N 2 1 390.531 3.738 20 0 GHADMP CCOC(=O)c1c[nH]c2cc(NC[C@@H](c3ccccc3)[NH+]3CCCC3)[nH+]cc21 ZINC001156530781 1033088282 /nfs/dbraw/zinc/08/82/82/1033088282.db2.gz SMNOCTSIKVDVIE-FQEVSTJZSA-N 2 1 378.476 3.989 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001140973442 1023048642 /nfs/dbraw/zinc/04/86/42/1023048642.db2.gz KUSZTXCRGFFAGU-UHFFFAOYSA-N 2 1 379.548 3.620 20 0 GHADMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3N3CC[NH+](C)CC3)C2)c1 ZINC001140974787 1023054446 /nfs/dbraw/zinc/05/44/46/1023054446.db2.gz KSMXENLFOKSNNQ-QFIPXVFZSA-N 2 1 393.575 3.902 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)OCCO5)CC[C@H]3C2)cc1 ZINC001141042492 1023367016 /nfs/dbraw/zinc/36/70/16/1023367016.db2.gz SWMJQKHTTLYZBO-FCHUYYIVSA-N 2 1 378.516 3.802 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)CC[C@H]3C2)cc1 ZINC001141042492 1023367026 /nfs/dbraw/zinc/36/70/26/1023367026.db2.gz SWMJQKHTTLYZBO-FCHUYYIVSA-N 2 1 378.516 3.802 20 0 GHADMP CC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001204869577 1033133164 /nfs/dbraw/zinc/13/31/64/1033133164.db2.gz DWCHIGOZPYMLEQ-HXUWFJFHSA-N 2 1 381.564 3.554 20 0 GHADMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)c(Br)c3)C[C@H]21 ZINC001204918563 1033165925 /nfs/dbraw/zinc/16/59/25/1033165925.db2.gz HOXMXYRBYGFROX-NNZMDNLPSA-N 2 1 387.321 3.665 20 0 GHADMP COC(=O)/C=C/c1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001204937900 1033175785 /nfs/dbraw/zinc/17/57/85/1033175785.db2.gz PDBKQXNZYDMVRE-FDYFRICMSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001204937900 1033175789 /nfs/dbraw/zinc/17/57/89/1033175789.db2.gz PDBKQXNZYDMVRE-FDYFRICMSA-N 2 1 394.515 3.856 20 0 GHADMP COC(=O)/C=C/c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC001204937900 1033175791 /nfs/dbraw/zinc/17/57/91/1033175791.db2.gz PDBKQXNZYDMVRE-FDYFRICMSA-N 2 1 394.515 3.856 20 0 GHADMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc(O)c1OC ZINC001141173495 1024007988 /nfs/dbraw/zinc/00/79/88/1024007988.db2.gz DKBYYNOPCRUIME-UHFFFAOYSA-N 2 1 384.520 3.753 20 0 GHADMP CC1(C)CC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC(C)(C)[NH2+]1 ZINC001141298976 1024448632 /nfs/dbraw/zinc/44/86/32/1024448632.db2.gz PLSXBTJCOYGMIF-HXUWFJFHSA-N 2 1 383.580 3.714 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C(F)(F)F)nn4C)s3)C[C@H]2C1 ZINC001138276728 1024529457 /nfs/dbraw/zinc/52/94/57/1024529457.db2.gz USWLEAVCLDKESL-ZIAGYGMSSA-N 2 1 398.498 3.941 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522733 1024616348 /nfs/dbraw/zinc/61/63/48/1024616348.db2.gz VHCCPDQLMBYNLZ-WOJBJXKFSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522733 1024616352 /nfs/dbraw/zinc/61/63/52/1024616352.db2.gz VHCCPDQLMBYNLZ-WOJBJXKFSA-N 2 1 389.902 3.892 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)cc1 ZINC001138549144 1024995822 /nfs/dbraw/zinc/99/58/22/1024995822.db2.gz LWOPOQRMQIDTIY-ISKFKSNPSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(CN2CC[N@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)cc1 ZINC001138549144 1024995824 /nfs/dbraw/zinc/99/58/24/1024995824.db2.gz LWOPOQRMQIDTIY-ISKFKSNPSA-N 2 1 388.515 3.518 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)cc1 ZINC001138548614 1024995870 /nfs/dbraw/zinc/99/58/70/1024995870.db2.gz FPHZIXZMPMTRLQ-DNVJHFABSA-N 2 1 383.536 3.975 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)cc1 ZINC001138548614 1024995875 /nfs/dbraw/zinc/99/58/75/1024995875.db2.gz FPHZIXZMPMTRLQ-DNVJHFABSA-N 2 1 383.536 3.975 20 0 GHADMP CNc1ncccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001138691052 1025217958 /nfs/dbraw/zinc/21/79/58/1025217958.db2.gz BZMLJWKSQZDZBS-UHFFFAOYSA-N 2 1 380.536 3.620 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc(C(F)(F)F)nn1)CC2 ZINC001141488669 1025222078 /nfs/dbraw/zinc/22/20/78/1025222078.db2.gz SNQLMZJXKOXNHV-SFHVURJKSA-N 2 1 394.441 3.965 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738811 1025275771 /nfs/dbraw/zinc/27/57/71/1025275771.db2.gz DCRRPIVLBUKWGP-KSEOMHKRSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738811 1025275783 /nfs/dbraw/zinc/27/57/83/1025275783.db2.gz DCRRPIVLBUKWGP-KSEOMHKRSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738811 1025275797 /nfs/dbraw/zinc/27/57/97/1025275797.db2.gz DCRRPIVLBUKWGP-KSEOMHKRSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4[nH]ccc4c3)C[C@H]21 ZINC001138738811 1025275809 /nfs/dbraw/zinc/27/58/09/1025275809.db2.gz DCRRPIVLBUKWGP-KSEOMHKRSA-N 2 1 375.520 3.690 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000838972489 1025490584 /nfs/dbraw/zinc/49/05/84/1025490584.db2.gz MASZQVAXOWFAEL-UYAOXDASSA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000838972489 1025490590 /nfs/dbraw/zinc/49/05/90/1025490590.db2.gz MASZQVAXOWFAEL-UYAOXDASSA-N 2 1 387.568 3.934 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1F ZINC001205180768 1033287422 /nfs/dbraw/zinc/28/74/22/1033287422.db2.gz OHMQRNDLTVRDBW-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001141557742 1025533630 /nfs/dbraw/zinc/53/36/30/1025533630.db2.gz JHTXXURYPPNLGC-OAQYLSRUSA-N 2 1 376.504 3.685 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)ccc1F ZINC001205187058 1033290640 /nfs/dbraw/zinc/29/06/40/1033290640.db2.gz LDUDHAUWSDMBKE-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(C[N@@H+](C)Cc2ccc(C)cc2)c1C ZINC001141571096 1025603406 /nfs/dbraw/zinc/60/34/06/1025603406.db2.gz LRYAAXADNQCCHC-UHFFFAOYSA-N 2 1 384.568 3.644 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(F)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC001461034048 1069348543 /nfs/dbraw/zinc/34/85/43/1069348543.db2.gz CSAUWWUKXLBGNI-NRFANRHFSA-N 2 1 375.919 3.948 20 0 GHADMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccccc3Oc3ccccc3)CC[C@@H]2C1 ZINC001139055543 1025844975 /nfs/dbraw/zinc/84/49/75/1025844975.db2.gz PHDZIGHXKYQVNQ-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccccc3Oc3ccccc3)CC[C@@H]2C1 ZINC001139055543 1025845000 /nfs/dbraw/zinc/84/50/00/1025845000.db2.gz PHDZIGHXKYQVNQ-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccccc3Oc3ccccc3)CC[C@@H]2C1 ZINC001139055543 1025845022 /nfs/dbraw/zinc/84/50/22/1025845022.db2.gz PHDZIGHXKYQVNQ-ZJSXRUAMSA-N 2 1 396.531 3.648 20 0 GHADMP CC(C)(O)c1ccccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933720 1025970966 /nfs/dbraw/zinc/97/09/66/1025970966.db2.gz GXNOZXUTLRTPJL-NRFANRHFSA-N 2 1 393.575 3.828 20 0 GHADMP CCn1ccc2c1cccc2C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001139154207 1025974116 /nfs/dbraw/zinc/97/41/16/1025974116.db2.gz NQSLIURTDJFZFR-ZJSXRUAMSA-N 2 1 381.564 3.842 20 0 GHADMP CCn1ccc2c1cccc2C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001139154207 1025974121 /nfs/dbraw/zinc/97/41/21/1025974121.db2.gz NQSLIURTDJFZFR-ZJSXRUAMSA-N 2 1 381.564 3.842 20 0 GHADMP CCn1ccc2c1cccc2C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001139154207 1025974129 /nfs/dbraw/zinc/97/41/29/1025974129.db2.gz NQSLIURTDJFZFR-ZJSXRUAMSA-N 2 1 381.564 3.842 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC3CC4(C3)CCC[NH2+]C4)c2c1C ZINC001162982263 1025996017 /nfs/dbraw/zinc/99/60/17/1025996017.db2.gz VWTJBFQLPCRIPF-UHFFFAOYSA-N 2 1 385.581 3.848 20 0 GHADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001141644872 1026019627 /nfs/dbraw/zinc/01/96/27/1026019627.db2.gz LKUWZHLXQRATHH-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001141644872 1026019646 /nfs/dbraw/zinc/01/96/46/1026019646.db2.gz LKUWZHLXQRATHH-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001141644872 1026019660 /nfs/dbraw/zinc/01/96/60/1026019660.db2.gz LKUWZHLXQRATHH-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3cc(F)ccc3n1)C2 ZINC001141644872 1026019677 /nfs/dbraw/zinc/01/96/77/1026019677.db2.gz LKUWZHLXQRATHH-XXBNENTESA-N 2 1 383.511 3.554 20 0 GHADMP CCc1ccccc1-c1nc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)cs1 ZINC001163205533 1026087869 /nfs/dbraw/zinc/08/78/69/1026087869.db2.gz VKGBJQQFDWYTNX-UHFFFAOYSA-N 2 1 394.548 3.702 20 0 GHADMP Cc1cc(F)c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001461063523 1069370546 /nfs/dbraw/zinc/37/05/46/1069370546.db2.gz HPCMGGDYUPXQIE-UHFFFAOYSA-N 2 1 387.518 3.961 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296920 1026150831 /nfs/dbraw/zinc/15/08/31/1026150831.db2.gz QJJJINOLHRPSGN-ROUUACIJSA-N 2 1 377.598 3.548 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296920 1026150838 /nfs/dbraw/zinc/15/08/38/1026150838.db2.gz QJJJINOLHRPSGN-ROUUACIJSA-N 2 1 377.598 3.548 20 0 GHADMP O=C1N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)[C@H](c2ccccc2)C12CCCC2 ZINC000839998082 1026401290 /nfs/dbraw/zinc/40/12/90/1026401290.db2.gz FVIDROCDOJQPNO-JOCHJYFZSA-N 2 1 381.564 3.896 20 0 GHADMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(C)C ZINC001139620913 1026488346 /nfs/dbraw/zinc/48/83/46/1026488346.db2.gz ZGAPFKBFHHIDRN-NHCUHLMSSA-N 2 1 382.552 3.506 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(C)C ZINC001139620913 1026488353 /nfs/dbraw/zinc/48/83/53/1026488353.db2.gz ZGAPFKBFHHIDRN-NHCUHLMSSA-N 2 1 382.552 3.506 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(C)C ZINC001139620913 1026488359 /nfs/dbraw/zinc/48/83/59/1026488359.db2.gz ZGAPFKBFHHIDRN-NHCUHLMSSA-N 2 1 382.552 3.506 20 0 GHADMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)cc1C(C)C ZINC001139620913 1026488369 /nfs/dbraw/zinc/48/83/69/1026488369.db2.gz ZGAPFKBFHHIDRN-NHCUHLMSSA-N 2 1 382.552 3.506 20 0 GHADMP Cc1nc2cc(C)ccn2c1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001139675600 1026530841 /nfs/dbraw/zinc/53/08/41/1026530841.db2.gz MQEYQFZETOLMTF-UHFFFAOYSA-N 2 1 389.547 3.834 20 0 GHADMP C[NH+](C)C[C@H]1CCCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001165078475 1026590342 /nfs/dbraw/zinc/59/03/42/1026590342.db2.gz XWGYCUZVHIPOFI-MRXNPFEDSA-N 2 1 399.608 3.696 20 0 GHADMP O=C1CCCCN1c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000098172914 1026741446 /nfs/dbraw/zinc/74/14/46/1026741446.db2.gz ZNBKPZUWNJBANV-UHFFFAOYSA-N 2 1 377.532 3.958 20 0 GHADMP Cc1nccn1-c1ccccc1C[N@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001140025503 1026812945 /nfs/dbraw/zinc/81/29/45/1026812945.db2.gz BZOSUIBBGMDGEH-APWZRJJASA-N 2 1 384.524 3.916 20 0 GHADMP COc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccc1C ZINC001140159114 1026933263 /nfs/dbraw/zinc/93/32/63/1026933263.db2.gz RSNDIUFWCJOGQI-UHFFFAOYSA-N 2 1 380.532 3.871 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)cc1O ZINC001140200753 1026975420 /nfs/dbraw/zinc/97/54/20/1026975420.db2.gz LIAJPGNKDQINSH-FSSWDIPSSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)cc1O ZINC001140200753 1026975423 /nfs/dbraw/zinc/97/54/23/1026975423.db2.gz LIAJPGNKDQINSH-FSSWDIPSSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)cc1O ZINC001140200753 1026975425 /nfs/dbraw/zinc/97/54/25/1026975425.db2.gz LIAJPGNKDQINSH-FSSWDIPSSA-N 2 1 382.552 3.579 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(C)cc1O ZINC001140200753 1026975430 /nfs/dbraw/zinc/97/54/30/1026975430.db2.gz LIAJPGNKDQINSH-FSSWDIPSSA-N 2 1 382.552 3.579 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc3ccccn13)CC2 ZINC001203149426 1027219061 /nfs/dbraw/zinc/21/90/61/1027219061.db2.gz ZIJKVGSYRDFVMV-NRFANRHFSA-N 2 1 390.531 3.590 20 0 GHADMP COc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001203431582 1027333937 /nfs/dbraw/zinc/33/39/37/1027333937.db2.gz CDCHJPQVOQDNFO-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001203431582 1027333950 /nfs/dbraw/zinc/33/39/50/1027333950.db2.gz CDCHJPQVOQDNFO-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001203431582 1027333965 /nfs/dbraw/zinc/33/39/65/1027333965.db2.gz CDCHJPQVOQDNFO-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001203431582 1027333983 /nfs/dbraw/zinc/33/39/83/1027333983.db2.gz CDCHJPQVOQDNFO-VWNXMTODSA-N 2 1 384.564 3.656 20 0 GHADMP COc1cccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449759 1027346547 /nfs/dbraw/zinc/34/65/47/1027346547.db2.gz SQRXZVIKVDYCMX-NYVOZVTQSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449759 1027346564 /nfs/dbraw/zinc/34/65/64/1027346564.db2.gz SQRXZVIKVDYCMX-NYVOZVTQSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449759 1027346584 /nfs/dbraw/zinc/34/65/84/1027346584.db2.gz SQRXZVIKVDYCMX-NYVOZVTQSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449759 1027346603 /nfs/dbraw/zinc/34/66/03/1027346603.db2.gz SQRXZVIKVDYCMX-NYVOZVTQSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449759 1027346623 /nfs/dbraw/zinc/34/66/23/1027346623.db2.gz SQRXZVIKVDYCMX-NYVOZVTQSA-N 2 1 395.547 3.831 20 0 GHADMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1OC ZINC001203449759 1027346642 /nfs/dbraw/zinc/34/66/42/1027346642.db2.gz SQRXZVIKVDYCMX-NYVOZVTQSA-N 2 1 395.547 3.831 20 0 GHADMP CC(C)(C)c1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)n(-c2cccc(F)c2)n1 ZINC001210263481 1027411696 /nfs/dbraw/zinc/41/16/96/1027411696.db2.gz BDSGCFFHYKBJNA-UHFFFAOYSA-N 2 1 394.498 3.857 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c(C)c1 ZINC001203734528 1027560504 /nfs/dbraw/zinc/56/05/04/1027560504.db2.gz VOXBCCCIIWKCKO-UHFFFAOYSA-N 2 1 379.548 3.813 20 0 GHADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001203795047 1027609674 /nfs/dbraw/zinc/60/96/74/1027609674.db2.gz MXPNFOBXRYXRFR-VCOUNFBDSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001203795047 1027609679 /nfs/dbraw/zinc/60/96/79/1027609679.db2.gz MXPNFOBXRYXRFR-VCOUNFBDSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001203795047 1027609686 /nfs/dbraw/zinc/60/96/86/1027609686.db2.gz MXPNFOBXRYXRFR-VCOUNFBDSA-N 2 1 383.511 3.962 20 0 GHADMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1F ZINC001203795047 1027609691 /nfs/dbraw/zinc/60/96/91/1027609691.db2.gz MXPNFOBXRYXRFR-VCOUNFBDSA-N 2 1 383.511 3.962 20 0 GHADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203929871 1027722020 /nfs/dbraw/zinc/72/20/20/1027722020.db2.gz HWCXGWVXOUPPMU-XZOQPEGZSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203929871 1027722038 /nfs/dbraw/zinc/72/20/38/1027722038.db2.gz HWCXGWVXOUPPMU-XZOQPEGZSA-N 2 1 377.532 3.989 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001203929871 1027722055 /nfs/dbraw/zinc/72/20/55/1027722055.db2.gz HWCXGWVXOUPPMU-XZOQPEGZSA-N 2 1 377.532 3.989 20 0 GHADMP CCCN(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001211069837 1027775262 /nfs/dbraw/zinc/77/52/62/1027775262.db2.gz PAEXUCLYJDTNDL-WOJBJXKFSA-N 2 1 392.975 3.603 20 0 GHADMP c1csc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001204012656 1027808181 /nfs/dbraw/zinc/80/81/81/1027808181.db2.gz ITWWZQDNESSTQZ-GMAHTHKFSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001204012656 1027808198 /nfs/dbraw/zinc/80/81/98/1027808198.db2.gz ITWWZQDNESSTQZ-GMAHTHKFSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)c1 ZINC001204012656 1027808217 /nfs/dbraw/zinc/80/82/17/1027808217.db2.gz ITWWZQDNESSTQZ-GMAHTHKFSA-N 2 1 397.588 3.894 20 0 GHADMP c1csc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)c1 ZINC001204012656 1027808227 /nfs/dbraw/zinc/80/82/27/1027808227.db2.gz ITWWZQDNESSTQZ-GMAHTHKFSA-N 2 1 397.588 3.894 20 0 GHADMP CC[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC001211270047 1027875600 /nfs/dbraw/zinc/87/56/00/1027875600.db2.gz SYLJPNUHCKFVLO-YADHBBJMSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@@H](CNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001211270047 1027875619 /nfs/dbraw/zinc/87/56/19/1027875619.db2.gz SYLJPNUHCKFVLO-YADHBBJMSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@@H](CNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001211270047 1027875635 /nfs/dbraw/zinc/87/56/35/1027875635.db2.gz SYLJPNUHCKFVLO-YADHBBJMSA-N 2 1 398.595 3.530 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC001211277435 1027883818 /nfs/dbraw/zinc/88/38/18/1027883818.db2.gz RRPOUPVNANZYDW-ONTIZHBOSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001211277435 1027883841 /nfs/dbraw/zinc/88/38/41/1027883841.db2.gz RRPOUPVNANZYDW-ONTIZHBOSA-N 2 1 388.600 3.705 20 0 GHADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001211277435 1027883861 /nfs/dbraw/zinc/88/38/61/1027883861.db2.gz RRPOUPVNANZYDW-ONTIZHBOSA-N 2 1 388.600 3.705 20 0 GHADMP CNc1nc(Cl)ncc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502790 1029004586 /nfs/dbraw/zinc/00/45/86/1029004586.db2.gz YCGOUTAEPQFEHC-QZTJIDSGSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502790 1029004594 /nfs/dbraw/zinc/00/45/94/1029004594.db2.gz YCGOUTAEPQFEHC-QZTJIDSGSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502790 1029004604 /nfs/dbraw/zinc/00/46/04/1029004604.db2.gz YCGOUTAEPQFEHC-QZTJIDSGSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502790 1029004616 /nfs/dbraw/zinc/00/46/16/1029004616.db2.gz YCGOUTAEPQFEHC-QZTJIDSGSA-N 2 1 385.943 3.516 20 0 GHADMP CNc1nc(Cl)ncc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001142502790 1029004629 /nfs/dbraw/zinc/00/46/29/1029004629.db2.gz YCGOUTAEPQFEHC-QZTJIDSGSA-N 2 1 385.943 3.516 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c(Cl)c1Cl ZINC001276720972 1029149629 /nfs/dbraw/zinc/14/96/29/1029149629.db2.gz XYVQKLFRJOHCRO-FQEVSTJZSA-N 2 1 398.378 3.820 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@H]21 ZINC001142686888 1029269224 /nfs/dbraw/zinc/26/92/24/1029269224.db2.gz KFOQTOMKHZVQJE-NQSCKRDGSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cccc4[nH]cnc43)C[C@H]21 ZINC001142686888 1029269242 /nfs/dbraw/zinc/26/92/42/1029269242.db2.gz KFOQTOMKHZVQJE-NQSCKRDGSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc4[nH]cnc43)C[C@H]21 ZINC001142686888 1029269259 /nfs/dbraw/zinc/26/92/59/1029269259.db2.gz KFOQTOMKHZVQJE-NQSCKRDGSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc4[nH]cnc43)C[C@H]21 ZINC001142686888 1029269279 /nfs/dbraw/zinc/26/92/79/1029269279.db2.gz KFOQTOMKHZVQJE-NQSCKRDGSA-N 2 1 375.520 3.690 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCc2ccccc21 ZINC000842677644 1029484365 /nfs/dbraw/zinc/48/43/65/1029484365.db2.gz VBVZXFJDAJNDGM-RCZVLFRGSA-N 2 1 376.544 3.997 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCc2ccccc21 ZINC000842677644 1029484373 /nfs/dbraw/zinc/48/43/73/1029484373.db2.gz VBVZXFJDAJNDGM-RCZVLFRGSA-N 2 1 376.544 3.997 20 0 GHADMP Clc1ccc2ncc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n2n1 ZINC001143003364 1029771618 /nfs/dbraw/zinc/77/16/18/1029771618.db2.gz WGPLWNWPIWQCOE-RTBURBONSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n2n1 ZINC001143003364 1029771624 /nfs/dbraw/zinc/77/16/24/1029771624.db2.gz WGPLWNWPIWQCOE-RTBURBONSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)n2n1 ZINC001143003364 1029771632 /nfs/dbraw/zinc/77/16/32/1029771632.db2.gz WGPLWNWPIWQCOE-RTBURBONSA-N 2 1 395.938 3.727 20 0 GHADMP Clc1ccc2ncc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)n2n1 ZINC001143003364 1029771640 /nfs/dbraw/zinc/77/16/40/1029771640.db2.gz WGPLWNWPIWQCOE-RTBURBONSA-N 2 1 395.938 3.727 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc3nonc31)CC2 ZINC001203130104 1029814869 /nfs/dbraw/zinc/81/48/69/1029814869.db2.gz NKUZYCORCLXEGS-KRWDZBQOSA-N 2 1 398.532 3.540 20 0 GHADMP CCCCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000843124489 1029816640 /nfs/dbraw/zinc/81/66/40/1029816640.db2.gz BQGILFSNNDBSFC-HXUWFJFHSA-N 2 1 390.568 3.842 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843124415 1029816894 /nfs/dbraw/zinc/81/68/94/1029816894.db2.gz APGDBVBTPXBMAC-ROUUACIJSA-N 2 1 390.934 3.854 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC001143140116 1029865214 /nfs/dbraw/zinc/86/52/14/1029865214.db2.gz JPHFWHQGZNIODI-OAQYLSRUSA-N 2 1 395.547 3.967 20 0 GHADMP COc1cc(C)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001143151825 1029870558 /nfs/dbraw/zinc/87/05/58/1029870558.db2.gz AEFTWOFCMCFCDM-FQEVSTJZSA-N 2 1 384.520 3.852 20 0 GHADMP c1sc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195275 1029901334 /nfs/dbraw/zinc/90/13/34/1029901334.db2.gz XXKDRKAKUINQHY-OALUTQOASA-N 2 1 384.545 3.863 20 0 GHADMP c1sc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195275 1029901338 /nfs/dbraw/zinc/90/13/38/1029901338.db2.gz XXKDRKAKUINQHY-OALUTQOASA-N 2 1 384.545 3.863 20 0 GHADMP c1sc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c2c1OCCO2 ZINC001143195275 1029901342 /nfs/dbraw/zinc/90/13/42/1029901342.db2.gz XXKDRKAKUINQHY-OALUTQOASA-N 2 1 384.545 3.863 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000843361407 1029940656 /nfs/dbraw/zinc/94/06/56/1029940656.db2.gz ZVJBDOADWPLJAV-FRIKZZABSA-N 2 1 377.532 3.627 20 0 GHADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000843361407 1029940662 /nfs/dbraw/zinc/94/06/62/1029940662.db2.gz ZVJBDOADWPLJAV-FRIKZZABSA-N 2 1 377.532 3.627 20 0 GHADMP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364260 1029941143 /nfs/dbraw/zinc/94/11/43/1029941143.db2.gz XTJYXGDVFSEAAC-GFCCVEGCSA-N 2 1 389.849 3.761 20 0 GHADMP [NH3+]C1CC2(C1)CC[NH+](Cc1scc(Br)c1Br)CC2 ZINC001222216042 1030011027 /nfs/dbraw/zinc/01/10/27/1030011027.db2.gz UCUPAPVKTSLPHP-UHFFFAOYSA-N 2 1 394.176 3.976 20 0 GHADMP FC(F)(F)c1cccc(-n2cc(C[N@H+]3CCC[C@]34CCC[NH2+]CC4)cn2)c1 ZINC001222321152 1030070280 /nfs/dbraw/zinc/07/02/80/1030070280.db2.gz RHVFANXOSPPMEG-IBGZPJMESA-N 2 1 378.442 3.999 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222407645 1030113065 /nfs/dbraw/zinc/11/30/65/1030113065.db2.gz LIBLIHZMZDCNSN-UHFFFAOYSA-N 2 1 383.511 3.796 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001222574294 1030204595 /nfs/dbraw/zinc/20/45/95/1030204595.db2.gz HFLIEOWEKUURGR-QHCPKHFHSA-N 3 1 385.596 3.522 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@@H+]2Cc2ccc3c(c2)OCO3)cc1 ZINC001222576110 1030206975 /nfs/dbraw/zinc/20/69/75/1030206975.db2.gz QFJXKBWVPGYEKF-NRFANRHFSA-N 2 1 394.515 3.719 20 0 GHADMP c1ccc(COC[C@@H]2CCC3(CC[NH2+]CC3)[N@H+]2Cc2ccc3c(c2)OCO3)cc1 ZINC001222576110 1030206988 /nfs/dbraw/zinc/20/69/88/1030206988.db2.gz QFJXKBWVPGYEKF-NRFANRHFSA-N 2 1 394.515 3.719 20 0 GHADMP COc1cncc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222590886 1030219364 /nfs/dbraw/zinc/21/93/64/1030219364.db2.gz OMXOJZTVGKTUEW-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP COc1cncc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1C ZINC001222590886 1030219380 /nfs/dbraw/zinc/21/93/80/1030219380.db2.gz OMXOJZTVGKTUEW-QFIPXVFZSA-N 2 1 395.547 3.702 20 0 GHADMP CC(C)CC(=O)OCc1cocc2c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc1-2 ZINC001222630023 1030249745 /nfs/dbraw/zinc/24/97/45/1030249745.db2.gz WSHCEEWFDYAHMF-HDICACEKSA-N 2 1 384.520 3.905 20 0 GHADMP CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC001149825429 1030316151 /nfs/dbraw/zinc/31/61/51/1030316151.db2.gz LOJDPLCLFQHJJP-QHCPKHFHSA-N 2 1 397.607 3.915 20 0 GHADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3C[C@H](c4ccccc4)CO3)CC2)cc1 ZINC001461648233 1069657764 /nfs/dbraw/zinc/65/77/64/1069657764.db2.gz PIHXLOAMLFSZPK-URXFXBBRSA-N 2 1 382.523 3.995 20 0 GHADMP C[C@]12CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001150125744 1030410986 /nfs/dbraw/zinc/41/09/86/1030410986.db2.gz CWKRKBPSDARMNW-PSWAGMNNSA-N 2 1 383.580 3.623 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1CN1CCC([NH3+])CC1 ZINC001217966809 1030694503 /nfs/dbraw/zinc/69/45/03/1030694503.db2.gz DBASCCXUDJKXFP-CJFMBICVSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001217966809 1030694506 /nfs/dbraw/zinc/69/45/06/1030694506.db2.gz DBASCCXUDJKXFP-CJFMBICVSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001217966809 1030694512 /nfs/dbraw/zinc/69/45/12/1030694512.db2.gz DBASCCXUDJKXFP-CJFMBICVSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001217967007 1030694532 /nfs/dbraw/zinc/69/45/32/1030694532.db2.gz KHQYQFWCUILBMM-CPJSRVTESA-N 2 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001217967007 1030694537 /nfs/dbraw/zinc/69/45/37/1030694537.db2.gz KHQYQFWCUILBMM-CPJSRVTESA-N 3 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001217967007 1030694544 /nfs/dbraw/zinc/69/45/44/1030694544.db2.gz KHQYQFWCUILBMM-CPJSRVTESA-N 3 1 393.575 3.899 20 0 GHADMP CC[C@@H]1[C@@H]2CCCC[C@@]2(c2cccc(O[C@@H]3COC4(C[NH2+]C4)C3)c2)CC[N@H+]1C ZINC001218060758 1030748405 /nfs/dbraw/zinc/74/84/05/1030748405.db2.gz ADDPKUUDJYYVHS-YCSHWKNNSA-N 2 1 384.564 3.738 20 0 GHADMP COC(=O)C[C@@H]([NH3+])c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC001218249067 1030851793 /nfs/dbraw/zinc/85/17/93/1030851793.db2.gz WNMONRZUSLDTGR-FGZHOGPDSA-N 2 1 396.531 3.929 20 0 GHADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC001224178292 1030914489 /nfs/dbraw/zinc/91/44/89/1030914489.db2.gz ROQMVXUXYCUEMC-XLIONFOSSA-N 2 1 394.991 3.897 20 0 GHADMP CC(C)(C)N1CCN(C(=O)c2cccc3c2CN(Cc2ccccc2)C3)CC1 ZINC001151809777 1031007233 /nfs/dbraw/zinc/00/72/33/1031007233.db2.gz BIOAIRIOQNIOMV-UHFFFAOYSA-N 2 1 377.532 3.759 20 0 GHADMP CCC[NH+]1C[C@@H]2CN(C(=O)c3cccc4c3C[N@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001151812673 1031009653 /nfs/dbraw/zinc/00/96/53/1031009653.db2.gz GMVYJBXHISKBGW-FGZHOGPDSA-N 2 1 389.543 3.616 20 0 GHADMP CCC[NH+]1C[C@@H]2CN(C(=O)c3cccc4c3C[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001151812673 1031009670 /nfs/dbraw/zinc/00/96/70/1031009670.db2.gz GMVYJBXHISKBGW-FGZHOGPDSA-N 2 1 389.543 3.616 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3c2CN(Cc2ccccc2)C3)C1 ZINC001151812036 1031010726 /nfs/dbraw/zinc/01/07/26/1031010726.db2.gz OUNXNPUDUPFRFB-OAQYLSRUSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151812036 1031010744 /nfs/dbraw/zinc/01/07/44/1031010744.db2.gz OUNXNPUDUPFRFB-OAQYLSRUSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc3c2C[NH+](Cc2ccccc2)C3)C1 ZINC001151812036 1031010761 /nfs/dbraw/zinc/01/07/61/1031010761.db2.gz OUNXNPUDUPFRFB-OAQYLSRUSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)c2cccc3c2C[N@H+](Cc2ccccc2)C3)C1 ZINC001151812036 1031010779 /nfs/dbraw/zinc/01/07/79/1031010779.db2.gz OUNXNPUDUPFRFB-OAQYLSRUSA-N 2 1 377.532 3.757 20 0 GHADMP CC(C)[NH+](C)[C@@H]1CCN(C(=O)c2cccc3c2C[N@@H+](Cc2ccccc2)C3)C1 ZINC001151812036 1031010787 /nfs/dbraw/zinc/01/07/87/1031010787.db2.gz OUNXNPUDUPFRFB-OAQYLSRUSA-N 2 1 377.532 3.757 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)cn2cc[nH+]c12 ZINC001218781914 1031078050 /nfs/dbraw/zinc/07/80/50/1031078050.db2.gz GMVNDSOYRQQRPZ-FQEVSTJZSA-N 2 1 377.492 3.675 20 0 GHADMP Cc1cc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cn2cc[nH+]c12 ZINC001218781914 1031078066 /nfs/dbraw/zinc/07/80/66/1031078066.db2.gz GMVNDSOYRQQRPZ-FQEVSTJZSA-N 2 1 377.492 3.675 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)cc1 ZINC001219345369 1031369374 /nfs/dbraw/zinc/36/93/74/1031369374.db2.gz KLSMMRHIGFDVNN-NOZRDPDXSA-N 2 1 399.494 3.566 20 0 GHADMP [NH3+]Cc1ccc(NC(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)cc1 ZINC001219345369 1031369391 /nfs/dbraw/zinc/36/93/91/1031369391.db2.gz KLSMMRHIGFDVNN-NOZRDPDXSA-N 2 1 399.494 3.566 20 0 GHADMP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)C1 ZINC001219644830 1031536792 /nfs/dbraw/zinc/53/67/92/1031536792.db2.gz GUPFJUQLZPZFPE-ABSDTBQOSA-N 2 1 377.960 3.619 20 0 GHADMP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001219706150 1031567029 /nfs/dbraw/zinc/56/70/29/1031567029.db2.gz XVFWOWUGACOUAC-NRFANRHFSA-N 2 1 397.950 3.514 20 0 GHADMP CC[C@@H](CC(C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728765 1031581076 /nfs/dbraw/zinc/58/10/76/1031581076.db2.gz GZSYPIKUYHWLFC-FCHUYYIVSA-N 2 1 385.596 3.677 20 0 GHADMP CC[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC001153911925 1031811552 /nfs/dbraw/zinc/81/15/52/1031811552.db2.gz WZYDSISRPZAOBK-GOTSBHOMSA-N 2 1 379.548 3.802 20 0 GHADMP CCCN(C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC001220472759 1031954844 /nfs/dbraw/zinc/95/48/44/1031954844.db2.gz JZKXUVMBPJDXME-JOCHJYFZSA-N 2 1 386.584 3.544 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)CC1 ZINC001220498980 1031965590 /nfs/dbraw/zinc/96/55/90/1031965590.db2.gz NNMPXWCVLFCVBQ-XUVXKRRUSA-N 2 1 386.584 3.552 20 0 GHADMP CC[N@@H+](CCCC(=O)NC[C@@H]([NH3+])c1ccccc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001220499988 1031966168 /nfs/dbraw/zinc/96/61/68/1031966168.db2.gz GDTSKGLYQSXCRA-WMZHIEFXSA-N 2 1 397.563 3.545 20 0 GHADMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1F ZINC001205222331 1033311880 /nfs/dbraw/zinc/31/18/80/1033311880.db2.gz GKHQWWSZWWIJBK-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1OC(=O)C1CC1 ZINC001205385492 1033387393 /nfs/dbraw/zinc/38/73/93/1033387393.db2.gz ICXWUNCTLYWYAO-LPHOPBHVSA-N 2 1 386.536 3.753 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC001461848333 1069788801 /nfs/dbraw/zinc/78/88/01/1069788801.db2.gz AGHLNXFMSCDGER-DENIHFKCSA-N 2 1 379.589 3.831 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CC12CC([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC001205554150 1033466855 /nfs/dbraw/zinc/46/68/55/1033466855.db2.gz AKSNLTJUAPPELB-NXMQOFKUSA-N 2 1 377.573 3.819 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)ccc1OC(=O)c1cccs1 ZINC001205617283 1033494400 /nfs/dbraw/zinc/49/44/00/1033494400.db2.gz ITGWOHLRCBCWLF-RDJZCZTQSA-N 2 1 388.533 3.783 20 0 GHADMP C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(I)c2)CC[C@@H]1C[NH3+] ZINC001205639512 1033506610 /nfs/dbraw/zinc/50/66/10/1033506610.db2.gz ZQRFZCFDCOMZFE-DGCLKSJQSA-N 2 1 392.712 3.751 20 0 GHADMP O=C(Nc1ccc2c[nH+]cn2c1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC001157396961 1033567738 /nfs/dbraw/zinc/56/77/38/1033567738.db2.gz SPPKUULZSOHDEM-LJQANCHMSA-N 2 1 388.393 3.727 20 0 GHADMP C[C@]1(F)CCC[N@@H+](Cc2cc(Br)ccc2N2CC[NH2+]CC2)CC1 ZINC001205852150 1033608100 /nfs/dbraw/zinc/60/81/00/1033608100.db2.gz FUVOGNSRMLAWLK-SFHVURJKSA-N 2 1 384.337 3.573 20 0 GHADMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2OC(F)F)CCC[C@@H]1C[NH3+] ZINC001206025896 1033692976 /nfs/dbraw/zinc/69/29/76/1033692976.db2.gz PTFLKLSRKXFQKK-NWDGAFQWSA-N 2 1 377.273 3.857 20 0 GHADMP Cc1nc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)s1 ZINC001206158746 1033747129 /nfs/dbraw/zinc/74/71/29/1033747129.db2.gz UWZZGWQHHKGVHX-UHFFFAOYSA-N 2 1 377.579 3.688 20 0 GHADMP Cc1nc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)s1 ZINC001206158746 1033747139 /nfs/dbraw/zinc/74/71/39/1033747139.db2.gz UWZZGWQHHKGVHX-UHFFFAOYSA-N 2 1 377.579 3.688 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Br)cncc2Br)CC1 ZINC001206305459 1033788943 /nfs/dbraw/zinc/78/89/43/1033788943.db2.gz ZUEMFJMANQDGQY-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)cncc2Br)CC1 ZINC001206305459 1033788965 /nfs/dbraw/zinc/78/89/65/1033788965.db2.gz ZUEMFJMANQDGQY-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(-n3ccnc3)c(Br)c2)CC1 ZINC001206327297 1033797979 /nfs/dbraw/zinc/79/79/79/1033797979.db2.gz VBTCTWYXNCTDHE-GOSISDBHSA-N 2 1 377.330 3.586 20 0 GHADMP O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157967516 1033841711 /nfs/dbraw/zinc/84/17/11/1033841711.db2.gz DPYALEIFZTWBHM-RBBKRZOGSA-N 2 1 397.950 3.725 20 0 GHADMP FC(F)(F)c1ccc(C[NH2+]C2CCN(c3nc(NC4CC4)cc[nH+]3)CC2)cc1 ZINC001158088946 1033909538 /nfs/dbraw/zinc/90/95/38/1033909538.db2.gz YZEYYGJEQAVLPM-UHFFFAOYSA-N 2 1 391.441 3.828 20 0 GHADMP Cc1ccc(I)cc1C[N@H+](C(C)C)[C@H]1CCC[NH2+]CC1 ZINC001206597390 1033919718 /nfs/dbraw/zinc/91/97/18/1033919718.db2.gz BUYGVEDNXFZYGD-KRWDZBQOSA-N 2 1 386.321 3.952 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599161 1033920539 /nfs/dbraw/zinc/92/05/39/1033920539.db2.gz PJPGSYGEJLMCSG-OAHLLOKOSA-N 2 1 385.346 3.819 20 0 GHADMP COc1cc(Br)cc(OC)c1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]CC1 ZINC001206599161 1033920542 /nfs/dbraw/zinc/92/05/42/1033920542.db2.gz PJPGSYGEJLMCSG-OAHLLOKOSA-N 2 1 385.346 3.819 20 0 GHADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccnc(Cl)c2Br)CC1 ZINC001206755856 1033970521 /nfs/dbraw/zinc/97/05/21/1033970521.db2.gz SXVXILBSXYVAAG-UHFFFAOYSA-N 2 1 394.744 3.990 20 0 GHADMP Cc1nn(C(=O)OC(C)(C)C)c(C)c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001206809406 1033992395 /nfs/dbraw/zinc/99/23/95/1033992395.db2.gz IJTWXSMFYFCQKQ-UHFFFAOYSA-N 2 1 378.561 3.835 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1 ZINC001206812540 1033994768 /nfs/dbraw/zinc/99/47/68/1033994768.db2.gz ZJNITYBTMVZHCE-HKUYNNGSSA-N 2 1 382.504 3.611 20 0 GHADMP C[C@@H]([NH3+])c1ccn(-c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CC[C@H](C)C4)n1 ZINC001158356047 1034041544 /nfs/dbraw/zinc/04/15/44/1034041544.db2.gz MYRBVJJSJLIUFF-UONOGXRCSA-N 2 1 396.564 3.617 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ncc3ccccn31)CC2 ZINC001207051075 1034072423 /nfs/dbraw/zinc/07/24/23/1034072423.db2.gz DMQLBQUHBLVNSG-IBGZPJMESA-N 2 1 396.560 3.651 20 0 GHADMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(Cc1ncc3ccccn31)CC2 ZINC001207051075 1034072438 /nfs/dbraw/zinc/07/24/38/1034072438.db2.gz DMQLBQUHBLVNSG-IBGZPJMESA-N 2 1 396.560 3.651 20 0 GHADMP Cc1ncc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)s1 ZINC001207060060 1034076528 /nfs/dbraw/zinc/07/65/28/1034076528.db2.gz HOJKDLAYJSQYLP-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP O=C(c1cccc([C@@H]2CCC[NH2+]2)c1)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158566728 1034157569 /nfs/dbraw/zinc/15/75/69/1034157569.db2.gz DMKYLJSBNHWQCK-SGNDLWITSA-N 2 1 389.543 3.848 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001207245029 1034209197 /nfs/dbraw/zinc/20/91/97/1034209197.db2.gz PTIYWJNTJOHVCT-QGZVFWFLSA-N 2 1 383.552 3.532 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249194 1034214381 /nfs/dbraw/zinc/21/43/81/1034214381.db2.gz VIKWDTFJLCOEMM-HSALFYBXSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249194 1034214396 /nfs/dbraw/zinc/21/43/96/1034214396.db2.gz VIKWDTFJLCOEMM-HSALFYBXSA-N 2 1 379.589 3.972 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207249194 1034214405 /nfs/dbraw/zinc/21/44/05/1034214405.db2.gz VIKWDTFJLCOEMM-HSALFYBXSA-N 2 1 379.589 3.972 20 0 GHADMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268413 1034224410 /nfs/dbraw/zinc/22/44/10/1034224410.db2.gz LTWRIRRTYJLLLD-HTAFUYNTSA-N 2 1 377.573 3.773 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268413 1034224420 /nfs/dbraw/zinc/22/44/20/1034224420.db2.gz LTWRIRRTYJLLLD-HTAFUYNTSA-N 2 1 377.573 3.773 20 0 GHADMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207268413 1034224426 /nfs/dbraw/zinc/22/44/26/1034224426.db2.gz LTWRIRRTYJLLLD-HTAFUYNTSA-N 2 1 377.573 3.773 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@](C)(C[NH3+])C3)c2c1C ZINC001158683878 1034229418 /nfs/dbraw/zinc/22/94/18/1034229418.db2.gz LEELRTCEHQPKQF-OAQYLSRUSA-N 2 1 387.597 3.859 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001207330387 1034278368 /nfs/dbraw/zinc/27/83/68/1034278368.db2.gz XCXWTGXPTABGCE-KRWDZBQOSA-N 2 1 378.586 3.726 20 0 GHADMP CC1(C)C[C@@H](C[N@@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359486 1034306062 /nfs/dbraw/zinc/30/60/62/1034306062.db2.gz VHWAKYFBOLJJTE-RXVVDRJESA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@@H](C[N@H+]2CCC(F)(F)[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359486 1034306089 /nfs/dbraw/zinc/30/60/89/1034306089.db2.gz VHWAKYFBOLJJTE-RXVVDRJESA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359486 1034306100 /nfs/dbraw/zinc/30/61/00/1034306100.db2.gz VHWAKYFBOLJJTE-RXVVDRJESA-N 2 1 393.522 3.820 20 0 GHADMP CC1(C)C[C@@H](C[NH+]2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CCO1 ZINC001207359486 1034306116 /nfs/dbraw/zinc/30/61/16/1034306116.db2.gz VHWAKYFBOLJJTE-RXVVDRJESA-N 2 1 393.522 3.820 20 0 GHADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374190 1034315983 /nfs/dbraw/zinc/31/59/83/1034315983.db2.gz FNXAVMWEOFFFLF-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374190 1034315998 /nfs/dbraw/zinc/31/59/98/1034315998.db2.gz FNXAVMWEOFFFLF-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374190 1034316010 /nfs/dbraw/zinc/31/60/10/1034316010.db2.gz FNXAVMWEOFFFLF-RTWAWAEBSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001207395789 1034340156 /nfs/dbraw/zinc/34/01/56/1034340156.db2.gz XRIROBJKRHOXST-UXHICEINSA-N 2 1 379.589 3.687 20 0 GHADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3c4ccccc4CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC1 ZINC001207395067 1034340679 /nfs/dbraw/zinc/34/06/79/1034340679.db2.gz OMUYOEKXTXRUPO-LEWJYISDSA-N 2 1 385.552 3.547 20 0 GHADMP C[NH+]1CCC(C[NH+]2CCN(C[C@@H]3CC=C(CCCC(C)(C)O)CC3)CC2)CC1 ZINC001207409282 1034348962 /nfs/dbraw/zinc/34/89/62/1034348962.db2.gz BHTKEAOZXVRQTC-JOCHJYFZSA-N 2 1 391.644 3.614 20 0 GHADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1cccs1 ZINC000164954264 1034371259 /nfs/dbraw/zinc/37/12/59/1034371259.db2.gz SWQGBCDVXNBHBD-OXQOHEQNSA-N 2 1 387.549 3.618 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1cccs1 ZINC000164954264 1034371273 /nfs/dbraw/zinc/37/12/73/1034371273.db2.gz SWQGBCDVXNBHBD-OXQOHEQNSA-N 2 1 387.549 3.618 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CCCc1ccccc1F)CC2 ZINC001207491396 1034396278 /nfs/dbraw/zinc/39/62/78/1034396278.db2.gz MOCVEUSRVQJFTH-QFIPXVFZSA-N 2 1 397.538 3.909 20 0 GHADMP CN(C)C(=O)C1CC[NH+](C2CC[NH+](CCCc3cccc(Cl)c3)CC2)CC1 ZINC001207589481 1034469503 /nfs/dbraw/zinc/46/95/03/1034469503.db2.gz MWOYFQLALWVCKX-UHFFFAOYSA-N 2 1 391.987 3.537 20 0 GHADMP c1ccc(CCCC[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207611590 1034488872 /nfs/dbraw/zinc/48/88/72/1034488872.db2.gz SEWGLMQXEROMGZ-DNQXCXABSA-N 2 1 379.548 3.627 20 0 GHADMP c1ccc(CCCC[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207611590 1034488882 /nfs/dbraw/zinc/48/88/82/1034488882.db2.gz SEWGLMQXEROMGZ-DNQXCXABSA-N 2 1 379.548 3.627 20 0 GHADMP c1ccc(CCCC[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001207611590 1034488891 /nfs/dbraw/zinc/48/88/91/1034488891.db2.gz SEWGLMQXEROMGZ-DNQXCXABSA-N 2 1 379.548 3.627 20 0 GHADMP C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207772179 1034568920 /nfs/dbraw/zinc/56/89/20/1034568920.db2.gz DJGYVEQGZWOTCH-UHFFFAOYSA-N 2 1 379.589 3.972 20 0 GHADMP CCC[N@@H+](CCC[NH+](C)C)C[C@H]1[C@@H](C)CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001207827928 1034604659 /nfs/dbraw/zinc/60/46/59/1034604659.db2.gz PTDIAIROJDDXAF-IRXDYDNUSA-N 2 1 391.547 3.788 20 0 GHADMP COCCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231505963 1034649441 /nfs/dbraw/zinc/64/94/41/1034649441.db2.gz WMVQNGZRGKXFPM-ZRZAMGCNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231505963 1034649447 /nfs/dbraw/zinc/64/94/47/1034649447.db2.gz WMVQNGZRGKXFPM-ZRZAMGCNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231505963 1034649454 /nfs/dbraw/zinc/64/94/54/1034649454.db2.gz WMVQNGZRGKXFPM-ZRZAMGCNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231505963 1034649465 /nfs/dbraw/zinc/64/94/65/1034649465.db2.gz WMVQNGZRGKXFPM-ZRZAMGCNSA-N 2 1 380.532 3.666 20 0 GHADMP COCCCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)cc1 ZINC001231506192 1034651345 /nfs/dbraw/zinc/65/13/45/1034651345.db2.gz WRQBPHWHEYEXEO-ZEQRLZLVSA-N 2 1 394.559 3.974 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cnccc34)C[C@@H]21 ZINC001231518109 1034669798 /nfs/dbraw/zinc/66/97/98/1034669798.db2.gz MJEHNFTWSDBNLT-FRGLQRNOSA-N 2 1 375.520 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c[nH]c4cnccc34)C[C@@H]21 ZINC001231518109 1034669803 /nfs/dbraw/zinc/66/98/03/1034669803.db2.gz MJEHNFTWSDBNLT-FRGLQRNOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c[nH]c4cnccc34)C[C@@H]21 ZINC001231518109 1034669812 /nfs/dbraw/zinc/66/98/12/1034669812.db2.gz MJEHNFTWSDBNLT-FRGLQRNOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]c4cnccc34)C[C@@H]21 ZINC001231518109 1034669820 /nfs/dbraw/zinc/66/98/20/1034669820.db2.gz MJEHNFTWSDBNLT-FRGLQRNOSA-N 2 1 375.520 3.690 20 0 GHADMP C[NH+]1CCC(C)(C[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001208112799 1034740039 /nfs/dbraw/zinc/74/00/39/1034740039.db2.gz ZBOYTCFYPKEQIF-GOSISDBHSA-N 2 1 379.589 3.830 20 0 GHADMP CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)CC1 ZINC001208175963 1034775165 /nfs/dbraw/zinc/77/51/65/1034775165.db2.gz OOBNPWWRWJCTGE-GGAORHGYSA-N 2 1 383.580 3.988 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC001208184320 1034780959 /nfs/dbraw/zinc/78/09/59/1034780959.db2.gz WMYSVCMKWHJAQL-GOSISDBHSA-N 2 1 395.551 3.839 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC001208184320 1034780970 /nfs/dbraw/zinc/78/09/70/1034780970.db2.gz WMYSVCMKWHJAQL-GOSISDBHSA-N 2 1 395.551 3.839 20 0 GHADMP COc1cc2ccn(C(=O)C[NH+](C)C)c2cc1Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001160019331 1034831301 /nfs/dbraw/zinc/83/13/01/1034831301.db2.gz DGOKGBCJLZAETO-UHFFFAOYSA-N 2 1 380.492 3.789 20 0 GHADMP CSc1ccccc1C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001231785181 1034908305 /nfs/dbraw/zinc/90/83/05/1034908305.db2.gz XZWFCWPIWLHLBM-FSSWDIPSSA-N 2 1 396.604 3.980 20 0 GHADMP CSc1ccccc1C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001231785181 1034908306 /nfs/dbraw/zinc/90/83/06/1034908306.db2.gz XZWFCWPIWLHLBM-FSSWDIPSSA-N 2 1 396.604 3.980 20 0 GHADMP CSc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001231785181 1034908313 /nfs/dbraw/zinc/90/83/13/1034908313.db2.gz XZWFCWPIWLHLBM-FSSWDIPSSA-N 2 1 396.604 3.980 20 0 GHADMP CSc1ccccc1C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001231785181 1034908314 /nfs/dbraw/zinc/90/83/14/1034908314.db2.gz XZWFCWPIWLHLBM-FSSWDIPSSA-N 2 1 396.604 3.980 20 0 GHADMP CCCOc1ncccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001231862798 1034951023 /nfs/dbraw/zinc/95/10/23/1034951023.db2.gz ZAAHEYGGTYZBCN-UHFFFAOYSA-N 2 1 395.547 3.737 20 0 GHADMP CCCOc1ncccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001231862798 1034951025 /nfs/dbraw/zinc/95/10/25/1034951025.db2.gz ZAAHEYGGTYZBCN-UHFFFAOYSA-N 2 1 395.547 3.737 20 0 GHADMP CC[NH+]1CCC(C[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)CC1 ZINC001208602880 1034952087 /nfs/dbraw/zinc/95/20/87/1034952087.db2.gz QAQRUPQURWABKC-LJQANCHMSA-N 2 1 379.589 3.830 20 0 GHADMP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608141 1034953376 /nfs/dbraw/zinc/95/33/76/1034953376.db2.gz PYZLQIPHGJZGAS-UYAOXDASSA-N 2 1 379.589 3.830 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608141 1034953377 /nfs/dbraw/zinc/95/33/77/1034953377.db2.gz PYZLQIPHGJZGAS-UYAOXDASSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608141 1034953381 /nfs/dbraw/zinc/95/33/81/1034953381.db2.gz PYZLQIPHGJZGAS-UYAOXDASSA-N 2 1 379.589 3.830 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001208608141 1034953385 /nfs/dbraw/zinc/95/33/85/1034953385.db2.gz PYZLQIPHGJZGAS-UYAOXDASSA-N 2 1 379.589 3.830 20 0 GHADMP [NH3+]CCCCCCCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC001160453631 1034979132 /nfs/dbraw/zinc/97/91/32/1034979132.db2.gz BIQCBPZIVGYHLB-UHFFFAOYSA-N 2 1 388.943 3.836 20 0 GHADMP CN(CC[C@H](Oc1cccc2ccccc21)c1cccs1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160590087 1035012182 /nfs/dbraw/zinc/01/21/82/1035012182.db2.gz LBLHDAWPWZJKCR-ICSRJNTNSA-N 2 1 397.544 3.546 20 0 GHADMP CC[C@@H](CCC(=O)OC)C[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001208779302 1035017597 /nfs/dbraw/zinc/01/75/97/1035017597.db2.gz FFUMYGUAVMRMIK-AZUAARDMSA-N 2 1 376.541 3.935 20 0 GHADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)CCO1 ZINC001208818394 1035038063 /nfs/dbraw/zinc/03/80/63/1035038063.db2.gz RPQIOHKVRSJXPH-GOSISDBHSA-N 2 1 388.552 3.575 20 0 GHADMP O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001232012949 1035042837 /nfs/dbraw/zinc/04/28/37/1035042837.db2.gz BCVTWQGNJVRPGB-NRFANRHFSA-N 2 1 380.517 3.753 20 0 GHADMP FC(F)(F)Oc1cccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)c1 ZINC001232018618 1035046733 /nfs/dbraw/zinc/04/67/33/1035046733.db2.gz OJMWNNFGDMXKSZ-UHFFFAOYSA-N 2 1 376.382 3.784 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C)nc4C)CC3)C2)cc1 ZINC001232084969 1035086054 /nfs/dbraw/zinc/08/60/54/1035086054.db2.gz ZQXPBXBAYNRFLS-UHFFFAOYSA-N 2 1 379.548 3.874 20 0 GHADMP O=C([C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935785 1035101636 /nfs/dbraw/zinc/10/16/36/1035101636.db2.gz LOUKEGNPGRFUBG-PKTZIBPZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C([C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935785 1035101639 /nfs/dbraw/zinc/10/16/39/1035101639.db2.gz LOUKEGNPGRFUBG-PKTZIBPZSA-N 2 1 383.580 3.623 20 0 GHADMP O=C([C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1)N1CCCCC1 ZINC001208935785 1035101643 /nfs/dbraw/zinc/10/16/43/1035101643.db2.gz LOUKEGNPGRFUBG-PKTZIBPZSA-N 2 1 383.580 3.623 20 0 GHADMP C[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937331 1035105062 /nfs/dbraw/zinc/10/50/62/1035105062.db2.gz SCERFHOKBYXBOU-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP C[N@@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937331 1035105066 /nfs/dbraw/zinc/10/50/66/1035105066.db2.gz SCERFHOKBYXBOU-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937331 1035105071 /nfs/dbraw/zinc/10/50/71/1035105071.db2.gz SCERFHOKBYXBOU-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP C[NH+](C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208937331 1035105075 /nfs/dbraw/zinc/10/50/75/1035105075.db2.gz SCERFHOKBYXBOU-SFTDATJTSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938118 1035106115 /nfs/dbraw/zinc/10/61/15/1035106115.db2.gz WYOQCIIAQBXGIJ-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208938118 1035106119 /nfs/dbraw/zinc/10/61/19/1035106119.db2.gz WYOQCIIAQBXGIJ-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208938118 1035106122 /nfs/dbraw/zinc/10/61/22/1035106122.db2.gz WYOQCIIAQBXGIJ-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208938118 1035106125 /nfs/dbraw/zinc/10/61/25/1035106125.db2.gz WYOQCIIAQBXGIJ-LEWJYISDSA-N 2 1 387.568 3.840 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947111 1035117900 /nfs/dbraw/zinc/11/79/00/1035117900.db2.gz YZWBFBZMHAETHG-YADHBBJMSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC001208947111 1035117903 /nfs/dbraw/zinc/11/79/03/1035117903.db2.gz YZWBFBZMHAETHG-YADHBBJMSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@H]1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947111 1035117910 /nfs/dbraw/zinc/11/79/10/1035117910.db2.gz YZWBFBZMHAETHG-YADHBBJMSA-N 2 1 395.547 3.846 20 0 GHADMP COc1cccnc1O[C@H]1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947111 1035117916 /nfs/dbraw/zinc/11/79/16/1035117916.db2.gz YZWBFBZMHAETHG-YADHBBJMSA-N 2 1 395.547 3.846 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208948974 1035120955 /nfs/dbraw/zinc/12/09/55/1035120955.db2.gz USPGVCOVIFONKG-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208948974 1035120959 /nfs/dbraw/zinc/12/09/59/1035120959.db2.gz USPGVCOVIFONKG-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)N[C@@H]1CCCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208948974 1035120967 /nfs/dbraw/zinc/12/09/67/1035120967.db2.gz USPGVCOVIFONKG-LEWJYISDSA-N 2 1 387.568 3.888 20 0 GHADMP CCOC[C@@H]1COCCC12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208951956 1035123179 /nfs/dbraw/zinc/12/31/79/1035123179.db2.gz ONQJKHTYGZFRRG-DHIUTWEWSA-N 2 1 386.580 3.664 20 0 GHADMP COc1cc(C[N@@H+](C)Cc2cc(F)cc(C[NH+](C)C)c2)cc(OC)c1OC ZINC001232146695 1035125579 /nfs/dbraw/zinc/12/55/79/1035125579.db2.gz YZYZAGATQDAZGW-UHFFFAOYSA-N 2 1 376.472 3.545 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cc(F)cc(C[NH+](C)C)c4)C[C@H]3C2)cc1 ZINC001232149197 1035128034 /nfs/dbraw/zinc/12/80/34/1035128034.db2.gz WLFJSUXYHKXZBO-ZRZAMGCNSA-N 2 1 381.539 3.760 20 0 GHADMP CC[C@@H](Nc1nc(N2CCC([NH3+])CC2)cc[nH+]1)c1cccc(C(F)(F)F)c1 ZINC001161071984 1035134525 /nfs/dbraw/zinc/13/45/25/1035134525.db2.gz UKRGQWMCWFDMAX-MRXNPFEDSA-N 2 1 379.430 3.986 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@@H+](C4CCC4)C3)c2c1C ZINC001161177069 1035168132 /nfs/dbraw/zinc/16/81/32/1035168132.db2.gz HJYLZTUOMPEWOC-INIZCTEOSA-N 2 1 385.581 3.943 20 0 GHADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H]3CC[N@H+](C4CCC4)C3)c2c1C ZINC001161177069 1035168138 /nfs/dbraw/zinc/16/81/38/1035168138.db2.gz HJYLZTUOMPEWOC-INIZCTEOSA-N 2 1 385.581 3.943 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161424341 1035228102 /nfs/dbraw/zinc/22/81/02/1035228102.db2.gz HQLKVTHSELSGRU-HYBUGGRVSA-N 2 1 391.559 3.535 20 0 GHADMP [NH3+]CC1(CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCCCC1 ZINC001161575703 1035261991 /nfs/dbraw/zinc/26/19/91/1035261991.db2.gz MVNIPXBGBIRGSN-FCHUYYIVSA-N 2 1 383.580 3.656 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCC(C)([NH+]4CCCCC4)CC3)c2)C1 ZINC001161780192 1035299951 /nfs/dbraw/zinc/29/99/51/1035299951.db2.gz IVVWKYLXHIXQKV-QFIPXVFZSA-N 2 1 383.580 3.976 20 0 GHADMP Cc1cc(Cl)ncc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001209634200 1035338736 /nfs/dbraw/zinc/33/87/36/1035338736.db2.gz UAXICTAGSRWTIH-UHFFFAOYSA-N 2 1 385.939 3.910 20 0 GHADMP CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001461988801 1069930884 /nfs/dbraw/zinc/93/08/84/1069930884.db2.gz LBQWDLKJRFHJAV-LEHRLTEOSA-N 2 1 384.564 3.999 20 0 GHADMP CC(C)(C)C(=O)Nc1ccc(C[NH3+])nc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241502231 1035596137 /nfs/dbraw/zinc/59/61/37/1035596137.db2.gz QJRWPZIIHXETEL-UHFFFAOYSA-N 2 1 378.520 3.814 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2Br)no1 ZINC001248195493 1035624829 /nfs/dbraw/zinc/62/48/29/1035624829.db2.gz ZXJQKXKVUCNZPN-ZDUSSCGKSA-N 2 1 387.709 3.884 20 0 GHADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC001248536108 1035940813 /nfs/dbraw/zinc/94/08/13/1035940813.db2.gz DFNZBJVOIYPSEC-TXTKFYIRSA-N 2 1 396.579 3.806 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC001248536107 1035941215 /nfs/dbraw/zinc/94/12/15/1035941215.db2.gz DFNZBJVOIYPSEC-QTEQDKRBSA-N 2 1 396.579 3.806 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1CCC[NH+]1CC)c1ccc(Cl)cc1 ZINC001248622412 1035997587 /nfs/dbraw/zinc/99/75/87/1035997587.db2.gz SPOWZBAHTKQTDJ-RTBURBONSA-N 2 1 380.964 3.506 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)cc1 ZINC001248622412 1035997593 /nfs/dbraw/zinc/99/75/93/1035997593.db2.gz SPOWZBAHTKQTDJ-RTBURBONSA-N 2 1 380.964 3.506 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC001248622412 1035997599 /nfs/dbraw/zinc/99/75/99/1035997599.db2.gz SPOWZBAHTKQTDJ-RTBURBONSA-N 2 1 380.964 3.506 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2ccc(Br)c(Cl)c2)no1 ZINC001248895158 1036225393 /nfs/dbraw/zinc/22/53/93/1036225393.db2.gz ARCUMDIKBMAZPW-CYBMUJFWSA-N 2 1 385.693 3.542 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2ccc(Cl)cc2Br)no1 ZINC001248896015 1036227241 /nfs/dbraw/zinc/22/72/41/1036227241.db2.gz LBKQBMZLWZHSJH-CYBMUJFWSA-N 2 1 385.693 3.542 20 0 GHADMP CCCN1CCC[N@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC001462106357 1069997019 /nfs/dbraw/zinc/99/70/19/1069997019.db2.gz WYULPICKMQCJKM-XMMPIXPASA-N 2 1 385.596 3.869 20 0 GHADMP CCCN1CCC[N@@H+](C[C@]2(C(C)(C)C)CC[NH+](Cc3ccccc3)C2)CC1=O ZINC001462106357 1069997024 /nfs/dbraw/zinc/99/70/24/1069997024.db2.gz WYULPICKMQCJKM-XMMPIXPASA-N 2 1 385.596 3.869 20 0 GHADMP CCCN1CCC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1=O ZINC001462106357 1069997029 /nfs/dbraw/zinc/99/70/29/1069997029.db2.gz WYULPICKMQCJKM-XMMPIXPASA-N 2 1 385.596 3.869 20 0 GHADMP CCCN1CCC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC001462106357 1069997033 /nfs/dbraw/zinc/99/70/33/1069997033.db2.gz WYULPICKMQCJKM-XMMPIXPASA-N 2 1 385.596 3.869 20 0 GHADMP CC[N@@H+]1CC=C(c2cnc(-c3ccc(N4CC[NH2+]CC4)cc3OC)c(C)c2)CC1 ZINC001244285404 1036460548 /nfs/dbraw/zinc/46/05/48/1036460548.db2.gz MOVPCUPZQHTJPH-UHFFFAOYSA-N 2 1 392.547 3.584 20 0 GHADMP c1cc(C2=CC[C@@H]([NH+]3CCOCC3)CC2)cc2[nH]c([C@H]3[NH2+][C@@H]4CC[C@H]3C4)nc12 ZINC001245427506 1036919970 /nfs/dbraw/zinc/91/99/70/1036919970.db2.gz QHLZIUDPMPWLCG-JYLXEMOASA-N 2 1 378.520 3.644 20 0 GHADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246031322 1037146545 /nfs/dbraw/zinc/14/65/45/1037146545.db2.gz PSRSJULLFIKSFJ-URXFXBBRSA-N 2 1 382.548 3.825 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246070895 1037185866 /nfs/dbraw/zinc/18/58/66/1037185866.db2.gz QDKCJLKPBAGZLV-VABKMULXSA-N 2 1 382.548 3.815 20 0 GHADMP CC1(C)C[C@H](N[C@@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)CC[NH2+]1 ZINC001246122523 1037201608 /nfs/dbraw/zinc/20/16/08/1037201608.db2.gz BDBXRPWQXHRDJV-RHSMWYFYSA-N 2 1 392.385 3.635 20 0 GHADMP CC[C@@H]1C[C@H](N[C@H]2CC3(CC[NH2+]CC3)c3c2cccc3Br)CC[NH2+]1 ZINC001246129774 1037206699 /nfs/dbraw/zinc/20/66/99/1037206699.db2.gz PKZZUXKFZRSHFC-RKVPGOIHSA-N 2 1 392.385 3.635 20 0 GHADMP COc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246126384 1037206819 /nfs/dbraw/zinc/20/68/19/1037206819.db2.gz LIQHJLCWJQSRMW-IGKWTDBASA-N 3 1 391.559 3.844 20 0 GHADMP Brc1ccc(C2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246186187 1037227786 /nfs/dbraw/zinc/22/77/86/1037227786.db2.gz XGSCRFXMTHNZKI-RTBURBONSA-N 2 1 392.385 3.540 20 0 GHADMP [NH3+]CCCC[C@H]([NH2+]C1CCc2ccccc2CC1)C(=O)OCc1ccccc1 ZINC001246191887 1037232219 /nfs/dbraw/zinc/23/22/19/1037232219.db2.gz RJPWIHHLPKSQFG-QHCPKHFHSA-N 2 1 380.532 3.765 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001246243548 1037250102 /nfs/dbraw/zinc/25/01/02/1037250102.db2.gz KCNBYDKEHNINSP-HBMCJLEFSA-N 2 1 386.923 3.897 20 0 GHADMP CCCC[C@H]1C[C@H](NC2=C(C(=O)OCC)C[N@@H+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246290444 1037279785 /nfs/dbraw/zinc/27/97/85/1037279785.db2.gz KYUNGPOSBYKJDG-LEWJYISDSA-N 2 1 399.579 3.610 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3NC2=O)CCN1 ZINC001246324774 1037295473 /nfs/dbraw/zinc/29/54/73/1037295473.db2.gz HFPBAJGOYSATBI-UXPWSPDFSA-N 2 1 387.886 3.734 20 0 GHADMP COc1ccc(CCN2CCC([NH2+][C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)cc1 ZINC001246345070 1037305744 /nfs/dbraw/zinc/30/57/44/1037305744.db2.gz VWLYUPKNZKPSPQ-JOCHJYFZSA-N 2 1 385.596 3.747 20 0 GHADMP COc1cccc(C2(N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC[NH2+]CC2)c1 ZINC001246413979 1037369583 /nfs/dbraw/zinc/36/95/83/1037369583.db2.gz HQOTVGOBKSULTD-NFBKMPQASA-N 2 1 393.575 3.917 20 0 GHADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC001246431894 1037394326 /nfs/dbraw/zinc/39/43/26/1037394326.db2.gz WIAQMEIUKVWSST-OAHLLOKOSA-N 2 1 385.474 3.521 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CC[NH2+]CC2)CCN1 ZINC001246452159 1037412428 /nfs/dbraw/zinc/41/24/28/1037412428.db2.gz CSLGYIWISFAVQF-FYYLOGMGSA-N 2 1 381.539 3.882 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H](NC3(Cc4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246465617 1037420820 /nfs/dbraw/zinc/42/08/20/1037420820.db2.gz RDETXCWTWYGMCV-DEOSSOPVSA-N 2 1 377.576 3.996 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3(Cc4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246465617 1037420830 /nfs/dbraw/zinc/42/08/30/1037420830.db2.gz RDETXCWTWYGMCV-DEOSSOPVSA-N 3 1 377.576 3.996 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3(Cc4ccccc4)CC[NH2+]CC3)CC2)cc1 ZINC001246465617 1037420840 /nfs/dbraw/zinc/42/08/40/1037420840.db2.gz RDETXCWTWYGMCV-DEOSSOPVSA-N 3 1 377.576 3.996 20 0 GHADMP COc1cc(NC(=O)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C(C)C)cc2ccccc21 ZINC001246478864 1037426198 /nfs/dbraw/zinc/42/61/98/1037426198.db2.gz BTBMPABYXIPHMG-RWXMOILYSA-N 2 1 381.520 3.684 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)ccc1Br ZINC001246479032 1037426390 /nfs/dbraw/zinc/42/63/90/1037426390.db2.gz QNGWUUCMCPQCEV-MSOLQXFVSA-N 2 1 389.337 3.911 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1)C(=O)OCc1ccccc1 ZINC001246484526 1037430846 /nfs/dbraw/zinc/43/08/46/1037430846.db2.gz HSZCYYLANOIYHF-WIYYLYMNSA-N 2 1 386.923 3.638 20 0 GHADMP [NH3+][C@H](CCCC[NH2+][C@H]1CCc2cccc(F)c2C1)C(=O)OCc1ccccc1 ZINC001246489144 1037435683 /nfs/dbraw/zinc/43/56/83/1037435683.db2.gz WWIZYXCNHGGZDN-SIKLNZKXSA-N 2 1 384.495 3.514 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c2cccc(Cl)c2)CC[NH2+]1 ZINC001246492315 1037436468 /nfs/dbraw/zinc/43/64/68/1037436468.db2.gz VDRHCIDRPYVFPN-NBHGPNQESA-N 2 1 376.903 3.946 20 0 GHADMP COC(=O)C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1ccc(Br)cc1 ZINC001246503096 1037446388 /nfs/dbraw/zinc/44/63/88/1037446388.db2.gz XRCBUCPDYOXDGC-YESZJQIVSA-N 2 1 397.357 3.810 20 0 GHADMP [NH3+]C[C@]1(O)CCC[N@H+](C2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001246545255 1037474715 /nfs/dbraw/zinc/47/47/15/1037474715.db2.gz VKDHKYJSSSHGKU-KVZIAJEVSA-N 2 1 381.358 3.651 20 0 GHADMP COC(=O)C1(c2ccc(Cl)cc2)CCC([N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CC1 ZINC001246595523 1037497117 /nfs/dbraw/zinc/49/71/17/1037497117.db2.gz ZYMIPFOBPBPWKZ-UVMVFJKDSA-N 2 1 378.944 3.753 20 0 GHADMP O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)CC[C@H]2C1 ZINC001246612937 1037502449 /nfs/dbraw/zinc/50/24/49/1037502449.db2.gz IYSQMONHGQWFRP-LYGMZBLVSA-N 2 1 395.591 3.926 20 0 GHADMP Clc1ccc(N2CCC([N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)CC2)cc1 ZINC001246623202 1037512638 /nfs/dbraw/zinc/51/26/38/1037512638.db2.gz MDCYESOEALEZSY-JOCHJYFZSA-N 2 1 381.951 3.998 20 0 GHADMP C[C@H](Cc1ccccn1)[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001246622301 1037513478 /nfs/dbraw/zinc/51/34/78/1037513478.db2.gz YPEWEMZDKZWXOP-OFNKIYASSA-N 2 1 379.548 3.816 20 0 GHADMP Brc1ccc(C2CCC([N@@H+]3CCOCC34CC[NH2+]CC4)CC2)cc1 ZINC001246644522 1037526970 /nfs/dbraw/zinc/52/69/70/1037526970.db2.gz RACWYSOFESNNSK-UHFFFAOYSA-N 2 1 393.369 3.930 20 0 GHADMP Brc1ccc(C2CCC([N@H+]3CCOCC34CC[NH2+]CC4)CC2)cc1 ZINC001246644522 1037526985 /nfs/dbraw/zinc/52/69/85/1037526985.db2.gz RACWYSOFESNNSK-UHFFFAOYSA-N 2 1 393.369 3.930 20 0 GHADMP O=C(C[C@H]1CC2(CC[NH+]([C@H]3CCCC[NH2+]C3)CC2)c2ccccc21)NCC1CC1 ZINC001246656739 1037531486 /nfs/dbraw/zinc/53/14/86/1037531486.db2.gz DPNSLHSSEBCEKA-SFTDATJTSA-N 2 1 395.591 3.566 20 0 GHADMP c1ccc(CN2CCC([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673440 1037539193 /nfs/dbraw/zinc/53/91/93/1037539193.db2.gz OGOFBMZDAAJJJN-RSXGOPAZSA-N 2 1 389.587 3.904 20 0 GHADMP c1ccc(CN2CCC([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC001246673440 1037539211 /nfs/dbraw/zinc/53/92/11/1037539211.db2.gz OGOFBMZDAAJJJN-RSXGOPAZSA-N 2 1 389.587 3.904 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246675115 1037541077 /nfs/dbraw/zinc/54/10/77/1037541077.db2.gz VZHDFUXVYNXTAU-POTDNYQPSA-N 3 1 389.587 3.603 20 0 GHADMP c1ccc(C[C@@H]2C[C@H]([N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)CC[NH2+]2)cc1 ZINC001246675115 1037541091 /nfs/dbraw/zinc/54/10/91/1037541091.db2.gz VZHDFUXVYNXTAU-POTDNYQPSA-N 3 1 389.587 3.603 20 0 GHADMP C[C@@H]1C[C@@H](N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)C[N@H+]1Cc1ccccc1 ZINC001246676370 1037543863 /nfs/dbraw/zinc/54/38/63/1037543863.db2.gz ZKVTXVQHSDLGFG-KMRPREKFSA-N 2 1 375.560 3.729 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+]([C@@H]2CCC4(C2)CC[NH2+]CC4)CC3)c1 ZINC001246696037 1037553732 /nfs/dbraw/zinc/55/37/32/1037553732.db2.gz PZCMIJJUPANMFH-LJQANCHMSA-N 2 1 380.511 3.606 20 0 GHADMP c1ccc(C[C@H]2C[C@@H]([N@H+]3C[C@H]4CCC[C@@]4(COc4cccnc4)C3)CC[NH2+]2)cc1 ZINC001246716516 1037570818 /nfs/dbraw/zinc/57/08/18/1037570818.db2.gz AHRZCLMTQRYLNB-FVEXOFTDSA-N 2 1 391.559 3.926 20 0 GHADMP CC[C@H]1[N@H+]([C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246724646 1037574580 /nfs/dbraw/zinc/57/45/80/1037574580.db2.gz WDYLTUNNVKCPDV-URFJDIBFSA-N 2 1 375.601 3.799 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](C2CCC4(CC[NH2+]C4)CC2)C3)c1 ZINC001246727763 1037577650 /nfs/dbraw/zinc/57/76/50/1037577650.db2.gz WFCAHFCWVHCLKU-SMDVXAHOSA-N 2 1 383.580 3.931 20 0 GHADMP CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)O1 ZINC001246744799 1037585279 /nfs/dbraw/zinc/58/52/79/1037585279.db2.gz LHKVUSXCLFQTBK-QJUOVVKFSA-N 2 1 386.580 3.644 20 0 GHADMP CC[C@@H]1C[C@H](N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)C[C@H](CC)[NH2+]1 ZINC001246749422 1037587270 /nfs/dbraw/zinc/58/72/70/1037587270.db2.gz WLJLMHOVQKLGTJ-UBRQYEGLSA-N 2 1 399.623 3.971 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)CC[NH2+]1 ZINC001246747756 1037588596 /nfs/dbraw/zinc/58/85/96/1037588596.db2.gz RLGQHYFDBXLTPI-AZKZNFPZSA-N 2 1 383.580 3.635 20 0 GHADMP CC[C@@H]1C[C@H]([N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246757241 1037598594 /nfs/dbraw/zinc/59/85/94/1037598594.db2.gz BNRAJMPUBBUJLM-IUHILOBXSA-N 2 1 387.568 3.641 20 0 GHADMP CC[C@@H]1C[C@H]([N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)C[C@H](CC)[NH2+]1 ZINC001246757241 1037598614 /nfs/dbraw/zinc/59/86/14/1037598614.db2.gz BNRAJMPUBBUJLM-IUHILOBXSA-N 2 1 387.568 3.641 20 0 GHADMP c1ccc([C@H]2C[C@H]([N@@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246757961 1037599624 /nfs/dbraw/zinc/59/96/24/1037599624.db2.gz NHCSKOWCMKESOE-MOUTVQLLSA-N 2 1 384.564 3.635 20 0 GHADMP c1ccc([C@H]2C[C@H]([N@H+]3C[C@@H]4COC[C@]4(COCC4CCCC4)C3)CC[NH2+]2)cc1 ZINC001246757961 1037599638 /nfs/dbraw/zinc/59/96/38/1037599638.db2.gz NHCSKOWCMKESOE-MOUTVQLLSA-N 2 1 384.564 3.635 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC3(C1)CC[NH2+]CC3)C2)C1CCCC1 ZINC001246763682 1037606892 /nfs/dbraw/zinc/60/68/92/1037606892.db2.gz CIHUJUKOMMTAFL-QNWVGRARSA-N 2 1 376.585 3.739 20 0 GHADMP Fc1cccc2c1C[C@H]([N@H+]1CCCn3cnc(C[NH2+]C4CCCC4)c3C1)CC2 ZINC001246766439 1037610861 /nfs/dbraw/zinc/61/08/61/1037610861.db2.gz AVKIOHYGYLWTQM-LJQANCHMSA-N 2 1 382.527 3.818 20 0 GHADMP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246810961 1037645807 /nfs/dbraw/zinc/64/58/07/1037645807.db2.gz BZPYMFBEGOVAQI-MDMHHNQBSA-N 2 1 377.617 3.949 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@H+](C1CCC3(CCC[NH2+]C3)CC1)C2 ZINC001246812769 1037647821 /nfs/dbraw/zinc/64/78/21/1037647821.db2.gz WDAHYKPXBVCHJJ-VZTJNBFISA-N 2 1 393.575 3.699 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC001246817102 1037649856 /nfs/dbraw/zinc/64/98/56/1037649856.db2.gz JDHWIUPHSYQIIP-MRXNPFEDSA-N 2 1 382.474 3.535 20 0 GHADMP COc1ccc(C(=O)C2CC[NH+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246832215 1037663543 /nfs/dbraw/zinc/66/35/43/1037663543.db2.gz FWJYNPQPQJIBIC-DHIUTWEWSA-N 2 1 392.543 3.953 20 0 GHADMP CCCC[N@@H+]([C@H](C)Cc1cccc(C(F)(F)F)c1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246877508 1037690466 /nfs/dbraw/zinc/69/04/66/1037690466.db2.gz OVZDSARBVLRLSX-APWZRJJASA-N 2 1 383.502 3.833 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879188 1037694190 /nfs/dbraw/zinc/69/41/90/1037694190.db2.gz MVJHEXJUBGLTIK-RTJMFUJLSA-N 2 1 387.571 3.655 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879188 1037694199 /nfs/dbraw/zinc/69/41/99/1037694199.db2.gz MVJHEXJUBGLTIK-RTJMFUJLSA-N 3 1 387.571 3.655 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879188 1037694217 /nfs/dbraw/zinc/69/42/17/1037694217.db2.gz MVJHEXJUBGLTIK-RTJMFUJLSA-N 3 1 387.571 3.655 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879188 1037694230 /nfs/dbraw/zinc/69/42/30/1037694230.db2.gz MVJHEXJUBGLTIK-RTJMFUJLSA-N 3 1 387.571 3.655 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879188 1037694242 /nfs/dbraw/zinc/69/42/42/1037694242.db2.gz MVJHEXJUBGLTIK-RTJMFUJLSA-N 3 1 387.571 3.655 20 0 GHADMP COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246890303 1037706801 /nfs/dbraw/zinc/70/68/01/1037706801.db2.gz ISFPKVYZTCDIGL-CQOQZXRMSA-N 2 1 385.596 3.904 20 0 GHADMP COC(=O)[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920812 1037726617 /nfs/dbraw/zinc/72/66/17/1037726617.db2.gz STHBRRCFKKYVBD-CZYKHXBRSA-N 2 1 382.479 3.507 20 0 GHADMP COC(=O)[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1c1ccc(F)cc1 ZINC001246920812 1037726640 /nfs/dbraw/zinc/72/66/40/1037726640.db2.gz STHBRRCFKKYVBD-CZYKHXBRSA-N 2 1 382.479 3.507 20 0 GHADMP CC1(C)[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC[C@]12c1ccccc1OC2=O ZINC001246924768 1037730149 /nfs/dbraw/zinc/73/01/49/1037730149.db2.gz JQXDJLBSNFQCDG-WZOHSFFVSA-N 2 1 390.527 3.691 20 0 GHADMP CC(C)(C)[C@H]1C[C@H](N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246925057 1037731126 /nfs/dbraw/zinc/73/11/26/1037731126.db2.gz LHJSINMYSYMCMY-IEBWSBKVSA-N 2 1 399.501 3.870 20 0 GHADMP CC(C)(C)C1CCC([N@@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CC1 ZINC001246942780 1037748801 /nfs/dbraw/zinc/74/88/01/1037748801.db2.gz MIQDQEJAFOFGJB-UHFFFAOYSA-N 2 1 379.633 3.615 20 0 GHADMP COc1ccc(C[N@@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2COc3cccc(OC)c3C2)cc1 ZINC001246966550 1037790698 /nfs/dbraw/zinc/79/06/98/1037790698.db2.gz VTYIFVCQJLSRIM-VAMGGRTRSA-N 2 1 396.531 3.779 20 0 GHADMP CN1CCC([N@@H+](C2CC[NH2+]CC2)[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993637 1037818006 /nfs/dbraw/zinc/81/80/06/1037818006.db2.gz LPWSXVLXTYCZEN-LJQANCHMSA-N 2 1 396.406 3.999 20 0 GHADMP C[NH+]1CCC(N(C2CC[NH2+]CC2)[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001246993637 1037818028 /nfs/dbraw/zinc/81/80/28/1037818028.db2.gz LPWSXVLXTYCZEN-LJQANCHMSA-N 2 1 396.406 3.999 20 0 GHADMP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC001462219527 1070093375 /nfs/dbraw/zinc/09/33/75/1070093375.db2.gz KKTYTNGTEZQYKK-PFATUAPWSA-N 2 1 399.623 3.720 20 0 GHADMP C[C@@H]1C[C@@H](N2CCOCC2)C[NH+]1C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001462219527 1070093392 /nfs/dbraw/zinc/09/33/92/1070093392.db2.gz KKTYTNGTEZQYKK-PFATUAPWSA-N 2 1 399.623 3.720 20 0 GHADMP C[C@@H]1C[C@@H](N2CCOCC2)C[NH+]1C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001462219527 1070093408 /nfs/dbraw/zinc/09/34/08/1070093408.db2.gz KKTYTNGTEZQYKK-PFATUAPWSA-N 2 1 399.623 3.720 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c(C)n1 ZINC001232334113 1038115898 /nfs/dbraw/zinc/11/58/98/1038115898.db2.gz VJMVBECEEHTFJD-UHFFFAOYSA-N 2 1 395.547 3.574 20 0 GHADMP Cc1ccc(C[C@@H]([NH3+])c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)cc1 ZINC001247643419 1038287684 /nfs/dbraw/zinc/28/76/84/1038287684.db2.gz NYYNHGWVMGWOIX-NRJHKNTJSA-N 2 1 375.476 3.749 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001232603757 1038384532 /nfs/dbraw/zinc/38/45/32/1038384532.db2.gz MEQQZAYJCUMZBX-UHFFFAOYSA-N 2 1 376.545 3.981 20 0 GHADMP Fc1ccc(C(F)(F)F)c(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c1 ZINC001247907394 1038480856 /nfs/dbraw/zinc/48/08/56/1038480856.db2.gz SDHILGFHSOEHIJ-GFCCVEGCSA-N 2 1 398.404 3.826 20 0 GHADMP Fc1cc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)cc(C(F)(F)F)c1 ZINC001247907741 1038481046 /nfs/dbraw/zinc/48/10/46/1038481046.db2.gz VUAMVCLJLAUQLJ-LBPRGKRZSA-N 2 1 398.404 3.826 20 0 GHADMP CSc1cc(F)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1F ZINC001247909484 1038484312 /nfs/dbraw/zinc/48/43/12/1038484312.db2.gz OPSCCZRDPMBOLG-UHFFFAOYSA-N 2 1 394.491 3.668 20 0 GHADMP [NH3+][C@@H](CCc1ccccc1)c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001247959905 1038516291 /nfs/dbraw/zinc/51/62/91/1038516291.db2.gz HCWRXMLGOHYHSD-BAILOTOSSA-N 2 1 375.476 3.831 20 0 GHADMP CC[N@@H+](CCn1ccnc1)Cc1cc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC001232771263 1038545422 /nfs/dbraw/zinc/54/54/22/1038545422.db2.gz UDVNBSXYYZIRIM-UHFFFAOYSA-N 2 1 390.553 3.760 20 0 GHADMP CCCn1cnc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)c1 ZINC001232794486 1038560329 /nfs/dbraw/zinc/56/03/29/1038560329.db2.gz BETAIJOHGHBCSL-UHFFFAOYSA-N 2 1 382.552 3.790 20 0 GHADMP COc1cc(O)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001232801059 1038563987 /nfs/dbraw/zinc/56/39/87/1038563987.db2.gz BASNYOFUWKWVEN-NRFANRHFSA-N 2 1 396.531 3.656 20 0 GHADMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1F)CC2 ZINC001233051971 1038808844 /nfs/dbraw/zinc/80/88/44/1038808844.db2.gz ZSENJNAXXRRULY-QGZVFWFLSA-N 2 1 390.524 3.848 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(O)c1F)CC2 ZINC001233051971 1038808871 /nfs/dbraw/zinc/80/88/71/1038808871.db2.gz ZSENJNAXXRRULY-QGZVFWFLSA-N 2 1 390.524 3.848 20 0 GHADMP CCOC(=O)c1[nH]c2ccc(Cl)cc2c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001233094566 1038866448 /nfs/dbraw/zinc/86/64/48/1038866448.db2.gz DCKTUBLYZXPNRO-UHFFFAOYSA-N 2 1 377.916 3.772 20 0 GHADMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)n1 ZINC001233117608 1038904388 /nfs/dbraw/zinc/90/43/88/1038904388.db2.gz PTULICCCPCSUES-UHFFFAOYSA-N 2 1 382.527 3.775 20 0 GHADMP CC(C)[NH+]1CCC(C[N@H+](C)Cc2c3c(ccc2Br)OCO3)CC1 ZINC001233143390 1038921876 /nfs/dbraw/zinc/92/18/76/1038921876.db2.gz DVFRGFZDSVKMLR-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2c3c(ccc2Br)OCO3)CC1 ZINC001233143390 1038921888 /nfs/dbraw/zinc/92/18/88/1038921888.db2.gz DVFRGFZDSVKMLR-UHFFFAOYSA-N 2 1 383.330 3.730 20 0 GHADMP CC(C)[NH+]1CCC(C[N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252754893 1039135267 /nfs/dbraw/zinc/13/52/67/1039135267.db2.gz PXNICFWRAHUIEU-OAQYLSRUSA-N 2 1 376.585 3.776 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cccc3nccn31)CC2 ZINC001233362343 1039189471 /nfs/dbraw/zinc/18/94/71/1039189471.db2.gz YAUKZSDPBAVGJW-UHFFFAOYSA-N 2 1 375.520 3.606 20 0 GHADMP Oc1ccc([C@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c2ccccc2)cc1 ZINC001252949311 1039294264 /nfs/dbraw/zinc/29/42/64/1039294264.db2.gz JOORSBJCRXTGIR-RPBOFIJWSA-N 2 1 388.511 3.708 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCCC3)C2)CC1 ZINC001253141291 1039445059 /nfs/dbraw/zinc/44/50/59/1039445059.db2.gz BHPLWNTYXPZVIA-IFMALSPDSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001253291603 1039539326 /nfs/dbraw/zinc/53/93/26/1039539326.db2.gz LPZIUAVFQUHTKA-QDSKXPNFSA-N 2 1 382.548 3.597 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CCOCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001253291603 1039539338 /nfs/dbraw/zinc/53/93/38/1039539338.db2.gz LPZIUAVFQUHTKA-QDSKXPNFSA-N 2 1 382.548 3.597 20 0 GHADMP O[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1)c1ccc(F)c(F)c1 ZINC001253356975 1039568898 /nfs/dbraw/zinc/56/88/98/1039568898.db2.gz PMJQWJGBBLFZKQ-FQEVSTJZSA-N 2 1 376.447 3.579 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC001253394142 1039597283 /nfs/dbraw/zinc/59/72/83/1039597283.db2.gz AKZLMSVWZXRHEI-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC001253394142 1039597295 /nfs/dbraw/zinc/59/72/95/1039597295.db2.gz AKZLMSVWZXRHEI-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC001253394142 1039597311 /nfs/dbraw/zinc/59/73/11/1039597311.db2.gz AKZLMSVWZXRHEI-MZYLBHOOSA-N 2 1 398.595 3.557 20 0 GHADMP CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001253480678 1039662512 /nfs/dbraw/zinc/66/25/12/1039662512.db2.gz NTOYHQUPMXKYHI-SGNDLWITSA-N 2 1 396.575 3.810 20 0 GHADMP COCc1ccc(C[NH+]2CCC3(C[NH+](Cc4scnc4C)C3)CC2)s1 ZINC001278725123 1039680170 /nfs/dbraw/zinc/68/01/70/1039680170.db2.gz OMEPVAJSMHKCAG-UHFFFAOYSA-N 2 1 377.579 3.757 20 0 GHADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830311 1039836773 /nfs/dbraw/zinc/83/67/73/1039836773.db2.gz DAWGKYGGUCJCEW-FSHOYSFVSA-N 2 1 396.575 3.630 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830311 1039836798 /nfs/dbraw/zinc/83/67/98/1039836798.db2.gz DAWGKYGGUCJCEW-FSHOYSFVSA-N 2 1 396.575 3.630 20 0 GHADMP Cc1ccc(OC[C@H](O)C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001253830311 1039836826 /nfs/dbraw/zinc/83/68/26/1039836826.db2.gz DAWGKYGGUCJCEW-FSHOYSFVSA-N 2 1 396.575 3.630 20 0 GHADMP OC1(CNc2[nH+]cccc2N2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254034922 1039967326 /nfs/dbraw/zinc/96/73/26/1039967326.db2.gz PUGPZHBBPJLKIX-UHFFFAOYSA-N 2 1 380.536 3.511 20 0 GHADMP Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CC1(O)CC[NH+](Cc2ccccc2)CC1)CC3 ZINC001254039048 1039968488 /nfs/dbraw/zinc/96/84/88/1039968488.db2.gz XQBMUDKJZCKGOL-UHFFFAOYSA-N 2 1 389.543 3.862 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254304088 1040154561 /nfs/dbraw/zinc/15/45/61/1040154561.db2.gz LBMMEHGAYIZJCM-SFHVURJKSA-N 2 1 388.556 3.718 20 0 GHADMP C[C@@H](C[NH+](C)C)Oc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC001234709631 1040241889 /nfs/dbraw/zinc/24/18/89/1040241889.db2.gz NHTYIKZMSLWPNX-AOOPRCNYSA-N 2 1 396.575 3.663 20 0 GHADMP CC(C)(C)[C@]1(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)CC[NH+](Cc2ccccc2)C1 ZINC001462450433 1070261507 /nfs/dbraw/zinc/26/15/07/1070261507.db2.gz IFKRIHWRQIDQKO-RDGATRHJSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@@H](CN3CCCC3=O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001462450433 1070261519 /nfs/dbraw/zinc/26/15/19/1070261519.db2.gz IFKRIHWRQIDQKO-RDGATRHJSA-N 2 1 397.607 3.869 20 0 GHADMP CC(C)(C)[C@]1(C[NH+]2CC[C@@H](CN3CCCC3=O)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001462450433 1070261530 /nfs/dbraw/zinc/26/15/30/1070261530.db2.gz IFKRIHWRQIDQKO-RDGATRHJSA-N 2 1 397.607 3.869 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CCN([C@@H]4CCC[N@@H+](C)CC4)CC3)CC2)c1 ZINC001254517423 1040293480 /nfs/dbraw/zinc/29/34/80/1040293480.db2.gz GQTYAKVBRZYJFS-JOCHJYFZSA-N 2 1 385.596 3.858 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC3)c1 ZINC001254517423 1040293502 /nfs/dbraw/zinc/29/35/02/1040293502.db2.gz GQTYAKVBRZYJFS-JOCHJYFZSA-N 3 1 385.596 3.858 20 0 GHADMP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC3)c1 ZINC001254517423 1040293521 /nfs/dbraw/zinc/29/35/21/1040293521.db2.gz GQTYAKVBRZYJFS-JOCHJYFZSA-N 3 1 385.596 3.858 20 0 GHADMP C[N@H+]1CCC[C@H]([NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)CC1 ZINC001254532097 1040304470 /nfs/dbraw/zinc/30/44/70/1040304470.db2.gz OYSMQNLSOGWWQM-KRWDZBQOSA-N 2 1 379.342 3.703 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234976824 1040478820 /nfs/dbraw/zinc/47/88/20/1040478820.db2.gz WPCAUNKSECIRNN-UYAOXDASSA-N 2 1 392.421 3.672 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC001234976824 1040478831 /nfs/dbraw/zinc/47/88/31/1040478831.db2.gz WPCAUNKSECIRNN-UYAOXDASSA-N 2 1 392.421 3.672 20 0 GHADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001254730198 1040487850 /nfs/dbraw/zinc/48/78/50/1040487850.db2.gz AXNUIYAYDIKCOP-RTBURBONSA-N 2 1 379.589 3.878 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc3c(ccn3C)c1)CC2 ZINC001235018237 1040505098 /nfs/dbraw/zinc/50/50/98/1040505098.db2.gz FJAUEBQLYUEJPS-UHFFFAOYSA-N 2 1 375.516 3.824 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc3c(ccn3C)c1)CC2 ZINC001235018237 1040505115 /nfs/dbraw/zinc/50/51/15/1040505115.db2.gz FJAUEBQLYUEJPS-UHFFFAOYSA-N 2 1 375.516 3.824 20 0 GHADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254748412 1040506944 /nfs/dbraw/zinc/50/69/44/1040506944.db2.gz JFCQLZYSVZPHFB-IBGZPJMESA-N 2 1 379.589 3.830 20 0 GHADMP COc1cccc(CCC[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1 ZINC001235019234 1040508826 /nfs/dbraw/zinc/50/88/26/1040508826.db2.gz NYEIBVIPGZLOPJ-UHFFFAOYSA-N 2 1 380.532 3.773 20 0 GHADMP Fc1cc(-c2ccc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cnc1Cl ZINC001235024251 1040516486 /nfs/dbraw/zinc/51/64/86/1040516486.db2.gz XMFUOBLMAJXGLJ-OAQYLSRUSA-N 2 1 389.902 3.743 20 0 GHADMP Fc1cc(-c2ccc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)cc2)cnc1Cl ZINC001235024251 1040516505 /nfs/dbraw/zinc/51/65/05/1040516505.db2.gz XMFUOBLMAJXGLJ-OAQYLSRUSA-N 2 1 389.902 3.743 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001235039287 1040533041 /nfs/dbraw/zinc/53/30/41/1040533041.db2.gz KHLZHLQUYYKBKK-WOJBJXKFSA-N 2 1 393.510 3.508 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c[nH]c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001235039287 1040533062 /nfs/dbraw/zinc/53/30/62/1040533062.db2.gz KHLZHLQUYYKBKK-WOJBJXKFSA-N 2 1 393.510 3.508 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c[nH]c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001235039287 1040533082 /nfs/dbraw/zinc/53/30/82/1040533082.db2.gz KHLZHLQUYYKBKK-WOJBJXKFSA-N 2 1 393.510 3.508 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c[nH]c(-c5ccccc5F)c4)C[C@H]3C2)cn1 ZINC001235039287 1040533103 /nfs/dbraw/zinc/53/31/03/1040533103.db2.gz KHLZHLQUYYKBKK-WOJBJXKFSA-N 2 1 393.510 3.508 20 0 GHADMP c1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001235085709 1040573441 /nfs/dbraw/zinc/57/34/41/1040573441.db2.gz MLVQPGWAVGWCCV-PKTZIBPZSA-N 2 1 376.548 3.636 20 0 GHADMP c1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001235085709 1040573451 /nfs/dbraw/zinc/57/34/51/1040573451.db2.gz MLVQPGWAVGWCCV-PKTZIBPZSA-N 2 1 376.548 3.636 20 0 GHADMP c1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001235085709 1040573461 /nfs/dbraw/zinc/57/34/61/1040573461.db2.gz MLVQPGWAVGWCCV-PKTZIBPZSA-N 2 1 376.548 3.636 20 0 GHADMP c1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc(N2CCCC2)c1 ZINC001235085709 1040573470 /nfs/dbraw/zinc/57/34/70/1040573470.db2.gz MLVQPGWAVGWCCV-PKTZIBPZSA-N 2 1 376.548 3.636 20 0 GHADMP Brc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC001235104836 1040592424 /nfs/dbraw/zinc/59/24/24/1040592424.db2.gz UZQMFAHISOUBAC-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP Brc1cc(Br)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC001235104858 1040592517 /nfs/dbraw/zinc/59/25/17/1040592517.db2.gz VRISLNJAEGHHFW-UHFFFAOYSA-N 2 1 388.147 3.787 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+]([C@H]1C[C@@H]3CC(=O)C[C@@H]3C1)CC2 ZINC001254948543 1040685001 /nfs/dbraw/zinc/68/50/01/1040685001.db2.gz NGMYCSMQOVLVJV-MANSERQUSA-N 2 1 388.577 3.561 20 0 GHADMP C[C@H]([NH3+])c1nc2ccccc2n1C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001254989991 1040711534 /nfs/dbraw/zinc/71/15/34/1040711534.db2.gz NTQZTRXOOJVMLR-OHSMVPPVSA-N 2 1 376.504 3.661 20 0 GHADMP C[C@H]([NH3+])c1nc2ccccc2n1C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254989991 1040711554 /nfs/dbraw/zinc/71/15/54/1040711554.db2.gz NTQZTRXOOJVMLR-OHSMVPPVSA-N 2 1 376.504 3.661 20 0 GHADMP COc1cc(Br)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(OC)c1 ZINC001235232529 1040712865 /nfs/dbraw/zinc/71/28/65/1040712865.db2.gz YALWUPNEUUXPTL-GOSISDBHSA-N 2 1 397.357 3.820 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255021228 1040733468 /nfs/dbraw/zinc/73/34/68/1040733468.db2.gz MCYLPUZOEMRQIN-OAQYLSRUSA-N 2 1 397.588 3.613 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C1Cc3ccccc3C1)CC2 ZINC001255021228 1040733479 /nfs/dbraw/zinc/73/34/79/1040733479.db2.gz MCYLPUZOEMRQIN-OAQYLSRUSA-N 2 1 397.588 3.613 20 0 GHADMP c1ccc2c(c1)CC([NH+]1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCC1CC1)C2 ZINC001255022092 1040735251 /nfs/dbraw/zinc/73/52/51/1040735251.db2.gz BLEVPULTWFMVEL-ILBGXUMGSA-N 2 1 380.576 3.614 20 0 GHADMP c1ccc2c(c1)CC([N@@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001255022092 1040735260 /nfs/dbraw/zinc/73/52/60/1040735260.db2.gz BLEVPULTWFMVEL-ILBGXUMGSA-N 2 1 380.576 3.614 20 0 GHADMP c1ccc2c(c1)CC([N@H+]1CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C1)C2 ZINC001255022092 1040735279 /nfs/dbraw/zinc/73/52/79/1040735279.db2.gz BLEVPULTWFMVEL-ILBGXUMGSA-N 2 1 380.576 3.614 20 0 GHADMP [NH3+]Cc1cnnn1[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255069752 1040763178 /nfs/dbraw/zinc/76/31/78/1040763178.db2.gz OBEQYVWFSKLPFF-GMKZXUHWSA-N 2 1 387.531 3.674 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccsc1Cl)C2 ZINC001235326837 1040796404 /nfs/dbraw/zinc/79/64/04/1040796404.db2.gz YCRHQFOSALMIPB-HNAYVOBHSA-N 2 1 382.957 3.546 20 0 GHADMP c1cc(C[N@H+]2CCC3(C2)CCN([C@@H]2CC[NH+](Cc4ccccc4)C2)CC3)co1 ZINC001255114986 1040799741 /nfs/dbraw/zinc/79/97/41/1040799741.db2.gz JTIFKIMDVCSBSU-HSZRJFAPSA-N 2 1 379.548 3.842 20 0 GHADMP c1cc(C[NH+]2CCC3(C2)CCN([C@@H]2CC[N@H+](Cc4ccccc4)C2)CC3)co1 ZINC001255114986 1040799751 /nfs/dbraw/zinc/79/97/51/1040799751.db2.gz JTIFKIMDVCSBSU-HSZRJFAPSA-N 2 1 379.548 3.842 20 0 GHADMP c1cc(C[NH+]2CCC3(C2)CCN([C@@H]2CC[N@@H+](Cc4ccccc4)C2)CC3)co1 ZINC001255114986 1040799767 /nfs/dbraw/zinc/79/97/67/1040799767.db2.gz JTIFKIMDVCSBSU-HSZRJFAPSA-N 2 1 379.548 3.842 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)[C@@H]2C1 ZINC001255121430 1040809523 /nfs/dbraw/zinc/80/95/23/1040809523.db2.gz BRIRUMCXYFJQPN-AGGBGYSWSA-N 2 1 397.563 3.637 20 0 GHADMP c1ccc(C[NH+]2C[C@@H]3CCN([C@H]4CC[N@H+](Cc5ccccc5)C4)C[C@@H]3C2)cc1 ZINC001255119966 1040810703 /nfs/dbraw/zinc/81/07/03/1040810703.db2.gz HBEHMFJHAFCDMN-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001255119966 1040810718 /nfs/dbraw/zinc/81/07/18/1040810718.db2.gz HBEHMFJHAFCDMN-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP c1ccc(C[NH+]2CC[C@H](N3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)C2)cc1 ZINC001255119966 1040810727 /nfs/dbraw/zinc/81/07/27/1040810727.db2.gz HBEHMFJHAFCDMN-SDHOMARFSA-N 2 1 375.560 3.715 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255122882 1040812595 /nfs/dbraw/zinc/81/25/95/1040812595.db2.gz WYKDMZDSNIKQPG-DCIKREJASA-N 2 1 397.563 3.781 20 0 GHADMP CCOC(=O)[C@@]12C[N@@H+](Cc3c(Cl)ccc(C)c3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235353189 1040829163 /nfs/dbraw/zinc/82/91/63/1040829163.db2.gz WEOXILOCUMLVCK-LIRRHRJNSA-N 2 1 385.335 3.667 20 0 GHADMP N[C@H]([C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136034 1040835231 /nfs/dbraw/zinc/83/52/31/1040835231.db2.gz LQXVMMDGLZHZQJ-SWBPCFCJSA-N 2 1 381.486 3.784 20 0 GHADMP N[C@H]([C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136034 1040835247 /nfs/dbraw/zinc/83/52/47/1040835247.db2.gz LQXVMMDGLZHZQJ-SWBPCFCJSA-N 2 1 381.486 3.784 20 0 GHADMP N[C@H]([C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1)C(F)(F)F ZINC001255136034 1040835253 /nfs/dbraw/zinc/83/52/53/1040835253.db2.gz LQXVMMDGLZHZQJ-SWBPCFCJSA-N 2 1 381.486 3.784 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)nc1 ZINC001235360428 1040842495 /nfs/dbraw/zinc/84/24/95/1040842495.db2.gz CCAFWZIYUVAZQW-AZUAARDMSA-N 2 1 375.438 3.854 20 0 GHADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)nc1 ZINC001235360428 1040842511 /nfs/dbraw/zinc/84/25/11/1040842511.db2.gz CCAFWZIYUVAZQW-AZUAARDMSA-N 2 1 375.438 3.854 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3Cc1ccccc1)C2 ZINC001255142089 1040850295 /nfs/dbraw/zinc/85/02/95/1040850295.db2.gz YNYPXPNBRVXSJX-VHJOFQCFSA-N 2 1 384.564 3.700 20 0 GHADMP COC[C@]12CCCO[C@H]1CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255142089 1040850304 /nfs/dbraw/zinc/85/03/04/1040850304.db2.gz YNYPXPNBRVXSJX-VHJOFQCFSA-N 2 1 384.564 3.700 20 0 GHADMP Cc1nccn1-c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235365267 1040855623 /nfs/dbraw/zinc/85/56/23/1040855623.db2.gz NKYKZIKBXOIHLN-ZCYQVOJMSA-N 2 1 386.543 3.934 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149236 1040863440 /nfs/dbraw/zinc/86/34/40/1040863440.db2.gz GCHUPTKRBWRHBP-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149236 1040863453 /nfs/dbraw/zinc/86/34/53/1040863453.db2.gz GCHUPTKRBWRHBP-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149236 1040863470 /nfs/dbraw/zinc/86/34/70/1040863470.db2.gz GCHUPTKRBWRHBP-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149236 1040863487 /nfs/dbraw/zinc/86/34/87/1040863487.db2.gz GCHUPTKRBWRHBP-KAOXLYBCSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149237 1040868775 /nfs/dbraw/zinc/86/87/75/1040868775.db2.gz GCHUPTKRBWRHBP-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255149237 1040868782 /nfs/dbraw/zinc/86/87/82/1040868782.db2.gz GCHUPTKRBWRHBP-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255149237 1040868791 /nfs/dbraw/zinc/86/87/91/1040868791.db2.gz GCHUPTKRBWRHBP-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255149237 1040868802 /nfs/dbraw/zinc/86/88/02/1040868802.db2.gz GCHUPTKRBWRHBP-WZYRSQIMSA-N 2 1 392.547 3.824 20 0 GHADMP FC(F)(F)c1cc(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc(C(F)(F)F)c1 ZINC001235369558 1040869289 /nfs/dbraw/zinc/86/92/89/1040869289.db2.gz SIKNAORRBHAVFY-ARFHVFGLSA-N 2 1 394.359 3.677 20 0 GHADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151268 1040875211 /nfs/dbraw/zinc/87/52/11/1040875211.db2.gz VGWIWNHFBJRCSU-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151268 1040875226 /nfs/dbraw/zinc/87/52/26/1040875226.db2.gz VGWIWNHFBJRCSU-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151268 1040875241 /nfs/dbraw/zinc/87/52/41/1040875241.db2.gz VGWIWNHFBJRCSU-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H]([N@H+]2CCC[C@H](Oc4cnccn4)C2)C3)cc1 ZINC001255151268 1040875250 /nfs/dbraw/zinc/87/52/50/1040875250.db2.gz VGWIWNHFBJRCSU-LRSLUSHPSA-N 2 1 378.520 3.515 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+](C)C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001255208845 1040905687 /nfs/dbraw/zinc/90/56/87/1040905687.db2.gz BPNGFLDSXVPIGP-YUMYIRISSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+](C)C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001255208845 1040905691 /nfs/dbraw/zinc/90/56/91/1040905691.db2.gz BPNGFLDSXVPIGP-YUMYIRISSA-N 2 1 385.552 3.592 20 0 GHADMP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+](C)C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001255208845 1040905694 /nfs/dbraw/zinc/90/56/94/1040905694.db2.gz BPNGFLDSXVPIGP-YUMYIRISSA-N 2 1 385.552 3.592 20 0 GHADMP COc1ccc(N(C)c2ccc(C[N@H+]3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)cc2)cc1 ZINC001235394547 1040909940 /nfs/dbraw/zinc/90/99/40/1040909940.db2.gz DNPYDITVXCGNIQ-AVRDEDQJSA-N 2 1 383.511 3.972 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC001235427846 1040928930 /nfs/dbraw/zinc/92/89/30/1040928930.db2.gz UDKCQJLTIYKGGV-CABCVRRESA-N 2 1 397.357 3.678 20 0 GHADMP FC(F)(F)Oc1ccc2[nH]c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc2c1 ZINC001235433246 1040934373 /nfs/dbraw/zinc/93/43/73/1040934373.db2.gz YQKVZZHJYINWEK-KGLIPLIRSA-N 2 1 382.430 3.673 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235433246 1040934383 /nfs/dbraw/zinc/93/43/83/1040934383.db2.gz YQKVZZHJYINWEK-KGLIPLIRSA-N 2 1 382.430 3.673 20 0 GHADMP FC(F)(F)Oc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c2c1 ZINC001235433246 1040934384 /nfs/dbraw/zinc/93/43/84/1040934384.db2.gz YQKVZZHJYINWEK-KGLIPLIRSA-N 2 1 382.430 3.673 20 0 GHADMP c1c2c(nn1CC1CC1)[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)OCC2 ZINC001255383478 1040973997 /nfs/dbraw/zinc/97/39/97/1040973997.db2.gz JZBZWNXYFVGKJL-GOTSBHOMSA-N 2 1 394.563 3.551 20 0 GHADMP c1ccc(CO[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235526716 1040975649 /nfs/dbraw/zinc/97/56/49/1040975649.db2.gz RZPOAZSVNNWAFS-XZOQPEGZSA-N 2 1 387.568 3.534 20 0 GHADMP c1ccc(CO[C@@H]2CO[C@@]3(C2)CCC[N@H+](CCC[NH2+]C2CCCCC2)C3)nc1 ZINC001235526716 1040975654 /nfs/dbraw/zinc/97/56/54/1040975654.db2.gz RZPOAZSVNNWAFS-XZOQPEGZSA-N 2 1 387.568 3.534 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255391476 1040978933 /nfs/dbraw/zinc/97/89/33/1040978933.db2.gz QMBGBDFICJNNRI-HSZRJFAPSA-N 2 1 378.564 3.690 20 0 GHADMP COc1ccc(C2([NH3+])CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255394050 1040981192 /nfs/dbraw/zinc/98/11/92/1040981192.db2.gz VGYRHJUGNYXAGJ-HSZRJFAPSA-N 2 1 393.575 4.000 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3(c4cccnc4)CCOCC3)CC2)cc1 ZINC001255393659 1040981597 /nfs/dbraw/zinc/98/15/97/1040981597.db2.gz SJIBKCPEYYWLGP-HSZRJFAPSA-N 2 1 379.548 3.774 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402474 1040988523 /nfs/dbraw/zinc/98/85/23/1040988523.db2.gz JLSUZGKTJGDWSF-RBZQAINGSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402474 1040988524 /nfs/dbraw/zinc/98/85/24/1040988524.db2.gz JLSUZGKTJGDWSF-RBZQAINGSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@@]4(C[C@@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402474 1040988525 /nfs/dbraw/zinc/98/85/25/1040988525.db2.gz JLSUZGKTJGDWSF-RBZQAINGSA-N 2 1 384.564 3.701 20 0 GHADMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC2(CC[NH+](Cc3cccs3)CC2)CC1 ZINC001235575811 1040994959 /nfs/dbraw/zinc/99/49/59/1040994959.db2.gz QASBJGPONZJVJR-PKOBYXMFSA-N 3 1 397.579 3.917 20 0 GHADMP COc1cccc(OC2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)n1 ZINC001255409043 1040996073 /nfs/dbraw/zinc/99/60/73/1040996073.db2.gz FHILXBKWHYSHMG-NRFANRHFSA-N 2 1 395.547 3.988 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255408890 1040996386 /nfs/dbraw/zinc/99/63/86/1040996386.db2.gz DTNMMDWVYCKYLB-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255408890 1040996388 /nfs/dbraw/zinc/99/63/88/1040996388.db2.gz DTNMMDWVYCKYLB-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP Cc1cncnc1O[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255408890 1040996391 /nfs/dbraw/zinc/99/63/91/1040996391.db2.gz DTNMMDWVYCKYLB-FCHUYYIVSA-N 2 1 380.536 3.683 20 0 GHADMP COc1ccc(O[C@H]2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409644 1040997745 /nfs/dbraw/zinc/99/77/45/1040997745.db2.gz JUNZGDUESWCECR-GMAHTHKFSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc(O[C@H]2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409644 1040997746 /nfs/dbraw/zinc/99/77/46/1040997746.db2.gz JUNZGDUESWCECR-GMAHTHKFSA-N 2 1 395.547 3.988 20 0 GHADMP COc1ccc(O[C@H]2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)nc1 ZINC001255409644 1040997747 /nfs/dbraw/zinc/99/77/47/1040997747.db2.gz JUNZGDUESWCECR-GMAHTHKFSA-N 2 1 395.547 3.988 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410041 1041000065 /nfs/dbraw/zinc/00/00/65/1041000065.db2.gz PWCLSZICOVWIQZ-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C)C[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410041 1041000103 /nfs/dbraw/zinc/00/01/03/1041000103.db2.gz PWCLSZICOVWIQZ-HXUWFJFHSA-N 2 1 387.568 3.888 20 0 GHADMP O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235631239 1041064415 /nfs/dbraw/zinc/06/44/15/1041064415.db2.gz XMXHUMOLXPBCJI-DEOSSOPVSA-N 2 1 381.564 3.699 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCC(C(F)(F)F)CC3)CC2)C1 ZINC001255514322 1041102402 /nfs/dbraw/zinc/10/24/02/1041102402.db2.gz NHWTZNNQAOPXET-GTPINHCMSA-N 2 1 390.490 3.847 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3CCC(C(F)(F)F)CC3)CC2)C1 ZINC001255514322 1041102406 /nfs/dbraw/zinc/10/24/06/1041102406.db2.gz NHWTZNNQAOPXET-GTPINHCMSA-N 2 1 390.490 3.847 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC001255535841 1041116028 /nfs/dbraw/zinc/11/60/28/1041116028.db2.gz ACYKQBUVDQNQDE-UHFFFAOYSA-N 2 1 392.632 3.937 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](C3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001255625353 1041178166 /nfs/dbraw/zinc/17/81/66/1041178166.db2.gz QRJBNYIMTZFUSP-JRGCBEDISA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001255625353 1041178173 /nfs/dbraw/zinc/17/81/73/1041178173.db2.gz QRJBNYIMTZFUSP-JRGCBEDISA-N 2 1 390.593 3.966 20 0 GHADMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCC4(CC3)OCCO4)C[C@@H]21 ZINC001255625353 1041178179 /nfs/dbraw/zinc/17/81/79/1041178179.db2.gz QRJBNYIMTZFUSP-JRGCBEDISA-N 2 1 390.593 3.966 20 0 GHADMP COc1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc(OC)c1Br ZINC001235704950 1041184138 /nfs/dbraw/zinc/18/41/38/1041184138.db2.gz CMSVLRVMELCLAU-UHFFFAOYSA-N 2 1 397.357 3.678 20 0 GHADMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001235712185 1041194351 /nfs/dbraw/zinc/19/43/51/1041194351.db2.gz HFOIOEIXRAWNGT-UHFFFAOYSA-N 3 1 392.591 3.583 20 0 GHADMP COc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC001462522448 1070326641 /nfs/dbraw/zinc/32/66/41/1070326641.db2.gz DYCFCZHRRXXXCU-UHFFFAOYSA-N 2 1 384.568 3.740 20 0 GHADMP Cn1ccc(C[N@@H+]2CCCC23CCN([C@@H]2CCC[C@H](C(F)(F)F)C2)CC3)n1 ZINC001255716539 1041242072 /nfs/dbraw/zinc/24/20/72/1041242072.db2.gz MVZAIIPXJHHULT-FUHWJXTLSA-N 2 1 384.490 3.972 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001235796769 1041297851 /nfs/dbraw/zinc/29/78/51/1041297851.db2.gz VQHJVJNAJBKKFA-RTWAWAEBSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001235796769 1041297865 /nfs/dbraw/zinc/29/78/65/1041297865.db2.gz VQHJVJNAJBKKFA-RTWAWAEBSA-N 2 1 396.604 3.625 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001235796769 1041297874 /nfs/dbraw/zinc/29/78/74/1041297874.db2.gz VQHJVJNAJBKKFA-RTWAWAEBSA-N 2 1 396.604 3.625 20 0 GHADMP CC1(N2CC[NH+](Cc3ccc(OCc4ccc(F)cc4)cc3)CC2)CC[NH2+]CC1 ZINC001235816678 1041332429 /nfs/dbraw/zinc/33/24/29/1041332429.db2.gz WCEPVOMMUQNYKY-UHFFFAOYSA-N 2 1 397.538 3.664 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(F)cc3)CC[C@@H]21 ZINC001255872428 1041365749 /nfs/dbraw/zinc/36/57/49/1041365749.db2.gz VSVGULATZOEOOL-NKRSRWBGSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(F)cc3)CC[C@@H]21 ZINC001255872428 1041365755 /nfs/dbraw/zinc/36/57/55/1041365755.db2.gz VSVGULATZOEOOL-NKRSRWBGSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(F)cc3)CC[C@@H]21 ZINC001255872428 1041365775 /nfs/dbraw/zinc/36/57/75/1041365775.db2.gz VSVGULATZOEOOL-NKRSRWBGSA-N 2 1 384.543 3.827 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)C1 ZINC001255911684 1041394977 /nfs/dbraw/zinc/39/49/77/1041394977.db2.gz LJWOXIWXHAOEJO-KURKYZTESA-N 2 1 391.581 3.511 20 0 GHADMP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 ZINC001255962165 1041442777 /nfs/dbraw/zinc/44/27/77/1041442777.db2.gz HDUGJTCUCAHPPX-MDNUFGMLSA-N 2 1 389.584 3.590 20 0 GHADMP Cc1ccccc1C[N@H+](C1CCN(C(=O)C(F)(F)F)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255978880 1041453146 /nfs/dbraw/zinc/45/31/46/1041453146.db2.gz LUUTUDFRTKVMCU-IYARVYRRSA-N 2 1 397.485 3.620 20 0 GHADMP c1ccc(C[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C2CCCCC2)nc1 ZINC001235962826 1041469024 /nfs/dbraw/zinc/46/90/24/1041469024.db2.gz OATJBPIVAGWDKA-UHFFFAOYSA-N 2 1 378.564 3.822 20 0 GHADMP Fc1ccccc1-c1ncc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cn1 ZINC001235973780 1041478163 /nfs/dbraw/zinc/47/81/63/1041478163.db2.gz PJKSECUSFQTZKU-UHFFFAOYSA-N 2 1 388.490 3.920 20 0 GHADMP COC(=O)c1ccc2[nH]cc(C[N@H+]3Cc4ccccc4C4(CC[NH2+]CC4)C3)c2c1 ZINC001235975625 1041480020 /nfs/dbraw/zinc/48/00/20/1041480020.db2.gz ZLOFWDWJDOCWEH-UHFFFAOYSA-N 2 1 389.499 3.592 20 0 GHADMP COc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1-n1ccnc1 ZINC001235977112 1041482250 /nfs/dbraw/zinc/48/22/50/1041482250.db2.gz JSUBCAUXVNAXNU-UHFFFAOYSA-N 2 1 388.515 3.518 20 0 GHADMP CCOC(=O)N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001256033687 1041485363 /nfs/dbraw/zinc/48/53/63/1041485363.db2.gz YPFACWQRNQBYOP-ZULIPRJHSA-N 2 1 391.581 3.511 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001256033687 1041485375 /nfs/dbraw/zinc/48/53/75/1041485375.db2.gz YPFACWQRNQBYOP-ZULIPRJHSA-N 2 1 391.581 3.511 20 0 GHADMP CCOC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@H]3C2)C1 ZINC001256033687 1041485387 /nfs/dbraw/zinc/48/53/87/1041485387.db2.gz YPFACWQRNQBYOP-ZULIPRJHSA-N 2 1 391.581 3.511 20 0 GHADMP FC(F)(F)c1ccc(CN2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC001256067092 1041504295 /nfs/dbraw/zinc/50/42/95/1041504295.db2.gz IDERDSMHEQABDY-UHFFFAOYSA-N 2 1 381.486 3.886 20 0 GHADMP CCOC(=O)[C@]12C[N@@H+](CC(C)(C)Sc3ccc(Cl)cc3)C[C@H]1C[NH2+]CC2 ZINC001236037692 1041512634 /nfs/dbraw/zinc/51/26/34/1041512634.db2.gz KCNCUCWLLFLYJZ-FOIQADDNSA-N 2 1 396.984 3.685 20 0 GHADMP C[C@H](Cc1cccc(Br)c1)[NH2+]C(C)(C)CC[NH2+]CCC(C)(C)[NH3+] ZINC001256180000 1041624502 /nfs/dbraw/zinc/62/45/02/1041624502.db2.gz DAWYQSBNUUTULR-OAHLLOKOSA-N 3 1 384.406 3.855 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c2n1 ZINC001236215316 1041626227 /nfs/dbraw/zinc/62/62/27/1041626227.db2.gz GQELMPLYTLDOLR-JKSUJKDBSA-N 2 1 378.314 3.708 20 0 GHADMP COc1ccc2c(Br)ccc(C[N@@H+](C)[C@@H]3CCCC[C@@H]3[NH3+])c2n1 ZINC001236215316 1041626228 /nfs/dbraw/zinc/62/62/28/1041626228.db2.gz GQELMPLYTLDOLR-JKSUJKDBSA-N 2 1 378.314 3.708 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236254287 1041643792 /nfs/dbraw/zinc/64/37/92/1041643792.db2.gz YPCKDNIPJCNBBH-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236254287 1041643798 /nfs/dbraw/zinc/64/37/98/1041643798.db2.gz YPCKDNIPJCNBBH-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236254287 1041643803 /nfs/dbraw/zinc/64/38/03/1041643803.db2.gz YPCKDNIPJCNBBH-QHCPKHFHSA-N 2 1 388.559 3.841 20 0 GHADMP COc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc(F)c1O ZINC001236383782 1041692436 /nfs/dbraw/zinc/69/24/36/1041692436.db2.gz XHCATSRYGFWQAP-UHFFFAOYSA-N 2 1 376.447 3.681 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC[C@@H]1[NH3+] ZINC001236410998 1041705654 /nfs/dbraw/zinc/70/56/54/1041705654.db2.gz LIAQSUNMIKWXMJ-OALUTQOASA-N 2 1 392.421 3.695 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC[C@@H]1[NH3+] ZINC001236410998 1041705661 /nfs/dbraw/zinc/70/56/61/1041705661.db2.gz LIAQSUNMIKWXMJ-OALUTQOASA-N 2 1 392.421 3.695 20 0 GHADMP COc1ccc(CN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001236439490 1041712096 /nfs/dbraw/zinc/71/20/96/1041712096.db2.gz GREZNFTWLVBFJE-HSZRJFAPSA-N 2 1 393.575 3.771 20 0 GHADMP COc1ccc(C[N@@H+](CCc2cc(F)c(F)cc2F)C2CC[NH2+]CC2)cc1 ZINC001236440661 1041712796 /nfs/dbraw/zinc/71/27/96/1041712796.db2.gz OANLQXHLLUKXFV-UHFFFAOYSA-N 2 1 378.438 3.909 20 0 GHADMP COc1ccc(C[N@H+](Cc2c[nH]c3cnc(Cl)cc23)C2CC[NH2+]CC2)cc1 ZINC001236445573 1041715987 /nfs/dbraw/zinc/71/59/87/1041715987.db2.gz AHXYYESPMVBRTP-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)C2CC[NH2+]CC2)cc1 ZINC001236445573 1041715992 /nfs/dbraw/zinc/71/59/92/1041715992.db2.gz AHXYYESPMVBRTP-UHFFFAOYSA-N 2 1 384.911 3.979 20 0 GHADMP COC(=O)CCCCCCCCC[N@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236448727 1041716996 /nfs/dbraw/zinc/71/69/96/1041716996.db2.gz XPDLIMRSGVOFII-UHFFFAOYSA-N 2 1 375.557 3.929 20 0 GHADMP COC(=O)CCCCCCCCC[N@@H+](Cc1ccccn1)C1CC[NH2+]CC1 ZINC001236448727 1041717001 /nfs/dbraw/zinc/71/70/01/1041717001.db2.gz XPDLIMRSGVOFII-UHFFFAOYSA-N 2 1 375.557 3.929 20 0 GHADMP CCOC1CCC([N@@H+](Cc2ccc(C(=O)OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256434335 1041730840 /nfs/dbraw/zinc/73/08/40/1041730840.db2.gz KWAUUHVIPWCUKM-IJDVVPKISA-N 2 1 388.552 3.893 20 0 GHADMP CC(C)Oc1ncccc1CC[N@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499279 1041741390 /nfs/dbraw/zinc/74/13/90/1041741390.db2.gz KAOKZNLRQYMBRV-UHFFFAOYSA-N 2 1 389.490 3.944 20 0 GHADMP CC(C)Oc1ncccc1CC[N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236499279 1041741396 /nfs/dbraw/zinc/74/13/96/1041741396.db2.gz KAOKZNLRQYMBRV-UHFFFAOYSA-N 2 1 389.490 3.944 20 0 GHADMP COc1ccc(CC[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)cc1OC ZINC001236510247 1041746470 /nfs/dbraw/zinc/74/64/70/1041746470.db2.gz YZDCVNQJLKAUCQ-UHFFFAOYSA-N 2 1 386.511 3.948 20 0 GHADMP COc1cc(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)cc2c1OCO2 ZINC001236533595 1041754931 /nfs/dbraw/zinc/75/49/31/1041754931.db2.gz BKUWYXRBLPDBPZ-IYARVYRRSA-N 2 1 386.467 3.835 20 0 GHADMP COc1cc(Br)cnc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236541791 1041756431 /nfs/dbraw/zinc/75/64/31/1041756431.db2.gz KKZXHAOJTAXKIG-WKILWMFISA-N 2 1 382.346 3.725 20 0 GHADMP CNc1nc(SC)ncc1C[N@@H+](Cc1ccccc1C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236556393 1041761728 /nfs/dbraw/zinc/76/17/28/1041761728.db2.gz AMAWJQCULDEZNY-WGSAOQKQSA-N 2 1 385.581 3.821 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(I)cc2)C2CCC2)CC1 ZINC001236571285 1041765577 /nfs/dbraw/zinc/76/55/77/1041765577.db2.gz BBKVEXNINWMFET-JCNLHEQBSA-N 2 1 384.305 3.916 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc(I)cs2)C2CCC2)CC1 ZINC001236571806 1041765733 /nfs/dbraw/zinc/76/57/33/1041765733.db2.gz DLVCWKJWUJJRMY-MQMHXKEQSA-N 2 1 390.334 3.977 20 0 GHADMP COc1ccc(Cn2cc(C[N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)cn2)cc1 ZINC001236574429 1041766480 /nfs/dbraw/zinc/76/64/80/1041766480.db2.gz ORENBQMXRHWYBD-AQYVVDRMSA-N 2 1 382.552 3.955 20 0 GHADMP COC(=O)c1cc(OC)cc(OC)c1C[N@@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236572008 1041766692 /nfs/dbraw/zinc/76/66/92/1041766692.db2.gz PPHPETBMQISUOX-JCNLHEQBSA-N 2 1 390.524 3.505 20 0 GHADMP Brc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1-n1cccn1 ZINC001236601968 1041775631 /nfs/dbraw/zinc/77/56/31/1041775631.db2.gz REPNWTUZPBXXCB-MRXNPFEDSA-N 2 1 389.341 3.599 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H](N3CCC([NH3+])CC3)C2)ccc1Oc1ccc(F)cc1 ZINC001236623462 1041789038 /nfs/dbraw/zinc/78/90/38/1041789038.db2.gz UGXVBKIZXMVAIE-NRFANRHFSA-N 2 1 383.511 3.924 20 0 GHADMP COc1ccccc1C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709153 1041846115 /nfs/dbraw/zinc/84/61/15/1041846115.db2.gz FFNZFMHBKJVMEQ-WGSAOQKQSA-N 3 1 385.577 3.675 20 0 GHADMP C[NH+]1CCC2(C[NH+](Cc3ccc(C(F)(F)F)c(Br)c3)C2)CC1 ZINC001236718346 1041854057 /nfs/dbraw/zinc/85/40/57/1041854057.db2.gz KCXQIRBYXGCOAV-UHFFFAOYSA-N 2 1 377.248 3.996 20 0 GHADMP COC(=O)[C@H]1CC[C@H](C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001236742217 1041868786 /nfs/dbraw/zinc/86/87/86/1041868786.db2.gz LLNDBSAZRSOVLX-JEKGWRKSSA-N 2 1 376.516 3.877 20 0 GHADMP Cc1cccc(C[N@@H+](Cc2cnn3ccc(Cl)nc23)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236740977 1041869051 /nfs/dbraw/zinc/86/90/51/1041869051.db2.gz MPYHCSFWPVIPLL-WGSAOQKQSA-N 2 1 383.927 3.963 20 0 GHADMP COc1ccc2c(c1)n[nH]c2C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754036 1041872854 /nfs/dbraw/zinc/87/28/54/1041872854.db2.gz HGSRVRQHRGUJCR-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754036 1041872862 /nfs/dbraw/zinc/87/28/62/1041872862.db2.gz HGSRVRQHRGUJCR-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COc1ccc2c(c1)[nH]nc2C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236754036 1041872869 /nfs/dbraw/zinc/87/28/69/1041872869.db2.gz HGSRVRQHRGUJCR-IYARVYRRSA-N 2 1 382.483 3.983 20 0 GHADMP COC(=O)Cc1cccc(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236753980 1041873075 /nfs/dbraw/zinc/87/30/75/1041873075.db2.gz GUPDPUUUHOFHAA-HZCBDIJESA-N 2 1 384.495 3.813 20 0 GHADMP CCC(CC)[N@@H+](Cc1ccc(F)c(N2CCOCC2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791645 1041897097 /nfs/dbraw/zinc/89/70/97/1041897097.db2.gz XBHCGINUCUGDQV-KESTWPANSA-N 2 1 377.548 3.923 20 0 GHADMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236886708 1041940573 /nfs/dbraw/zinc/94/05/73/1041940573.db2.gz HKXOBNNBLSTJAW-UHFFFAOYSA-N 2 1 392.469 3.527 20 0 GHADMP CC[N@@H+](Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001236891564 1041941967 /nfs/dbraw/zinc/94/19/67/1041941967.db2.gz XAVMBTJYJDIFQI-VWLOTQADSA-N 2 1 392.591 3.535 20 0 GHADMP CCN(Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001236891564 1041941968 /nfs/dbraw/zinc/94/19/68/1041941968.db2.gz XAVMBTJYJDIFQI-VWLOTQADSA-N 2 1 392.591 3.535 20 0 GHADMP CCN(Cc1cccc(N2CC[NH+](C)CC2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001236891564 1041941969 /nfs/dbraw/zinc/94/19/69/1041941969.db2.gz XAVMBTJYJDIFQI-VWLOTQADSA-N 2 1 392.591 3.535 20 0 GHADMP COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)c1 ZINC001236893515 1041942516 /nfs/dbraw/zinc/94/25/16/1041942516.db2.gz KVEDSGMEJSXCCC-HSZRJFAPSA-N 2 1 393.531 3.562 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(I)c1 ZINC001237082951 1042027690 /nfs/dbraw/zinc/02/76/90/1042027690.db2.gz ZGCGQBCDEKPRFY-YHWZYXNKSA-N 2 1 390.696 3.646 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(I)c1 ZINC001237082951 1042027702 /nfs/dbraw/zinc/02/77/02/1042027702.db2.gz ZGCGQBCDEKPRFY-YHWZYXNKSA-N 2 1 390.696 3.646 20 0 GHADMP COc1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1C(F)F ZINC001237273347 1042118021 /nfs/dbraw/zinc/11/80/21/1042118021.db2.gz TYSNZDKLXYWLKE-XMSQKQJNSA-N 2 1 394.506 3.813 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)ccc1C(F)F ZINC001237273347 1042118024 /nfs/dbraw/zinc/11/80/24/1042118024.db2.gz TYSNZDKLXYWLKE-XMSQKQJNSA-N 2 1 394.506 3.813 20 0 GHADMP COc1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)ccc1C(F)F ZINC001237273347 1042118027 /nfs/dbraw/zinc/11/80/27/1042118027.db2.gz TYSNZDKLXYWLKE-XMSQKQJNSA-N 2 1 394.506 3.813 20 0 GHADMP COc1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)ccc1C(F)F ZINC001237273347 1042118030 /nfs/dbraw/zinc/11/80/30/1042118030.db2.gz TYSNZDKLXYWLKE-XMSQKQJNSA-N 2 1 394.506 3.813 20 0 GHADMP COC(=O)c1cc2cc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001237311253 1042139670 /nfs/dbraw/zinc/13/96/70/1042139670.db2.gz QMHPZXJFJXHYBA-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cc2cc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001237311253 1042139674 /nfs/dbraw/zinc/13/96/74/1042139674.db2.gz QMHPZXJFJXHYBA-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001237311253 1042139680 /nfs/dbraw/zinc/13/96/80/1042139680.db2.gz QMHPZXJFJXHYBA-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP COC(=O)c1cc2cc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)ccc2[nH]1 ZINC001237311253 1042139684 /nfs/dbraw/zinc/13/96/84/1042139684.db2.gz QMHPZXJFJXHYBA-OYRHEFFESA-N 2 1 389.499 3.518 20 0 GHADMP C[NH+]1CCN(c2cc(C[NH+]3CCC4(Cc5ccccc5N4)CC3)ccc2F)CC1 ZINC001237345017 1042159112 /nfs/dbraw/zinc/15/91/12/1042159112.db2.gz CHULOTCIWLKCIB-UHFFFAOYSA-N 2 1 394.538 3.580 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2sc3scc(C)c3c2C)CCC12C[NH2+]C2 ZINC001237429101 1042204288 /nfs/dbraw/zinc/20/42/88/1042204288.db2.gz CVIMGLNKSIFJMG-CQSZACIVSA-N 2 1 378.563 3.554 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001237437890 1042207794 /nfs/dbraw/zinc/20/77/94/1042207794.db2.gz UAHMEHSFTMRZJM-DSKINZAPSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001237437890 1042207796 /nfs/dbraw/zinc/20/77/96/1042207796.db2.gz UAHMEHSFTMRZJM-DSKINZAPSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001237437890 1042207800 /nfs/dbraw/zinc/20/78/00/1042207800.db2.gz UAHMEHSFTMRZJM-DSKINZAPSA-N 2 1 399.560 3.662 20 0 GHADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4cccs4)[C@@H]3C2)cn1 ZINC001237437890 1042207802 /nfs/dbraw/zinc/20/78/02/1042207802.db2.gz UAHMEHSFTMRZJM-DSKINZAPSA-N 2 1 399.560 3.662 20 0 GHADMP Cc1nc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1F ZINC001237816843 1042383454 /nfs/dbraw/zinc/38/34/54/1042383454.db2.gz VVGGBGBHVLHPKZ-NRFANRHFSA-N 2 1 383.511 3.785 20 0 GHADMP COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2ccccc21 ZINC001237888817 1042411287 /nfs/dbraw/zinc/41/12/87/1042411287.db2.gz FFBJGRHTIANEKW-QFIPXVFZSA-N 2 1 376.500 3.960 20 0 GHADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)Cc2ccccc21 ZINC001237888817 1042411291 /nfs/dbraw/zinc/41/12/91/1042411291.db2.gz FFBJGRHTIANEKW-QFIPXVFZSA-N 2 1 376.500 3.960 20 0 GHADMP CCOC(=O)COc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001237917715 1042421920 /nfs/dbraw/zinc/42/19/20/1042421920.db2.gz AZXYEHSOCGMERK-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC001237917715 1042421922 /nfs/dbraw/zinc/42/19/22/1042421922.db2.gz AZXYEHSOCGMERK-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001237917715 1042421924 /nfs/dbraw/zinc/42/19/24/1042421924.db2.gz AZXYEHSOCGMERK-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP CCOC(=O)COc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001237917715 1042421926 /nfs/dbraw/zinc/42/19/26/1042421926.db2.gz AZXYEHSOCGMERK-QFIPXVFZSA-N 2 1 396.531 3.582 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc(F)cc1Cl)CC2 ZINC001238022135 1042462716 /nfs/dbraw/zinc/46/27/16/1042462716.db2.gz PXQFTKFNFOUPEJ-INIZCTEOSA-N 2 1 393.890 3.723 20 0 GHADMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)cc(OCc2ccccc2)c1 ZINC001238388940 1042580670 /nfs/dbraw/zinc/58/06/70/1042580670.db2.gz XSACNGUTRVZVBV-BJKOFHAPSA-N 2 1 397.538 3.615 20 0 GHADMP CSc1ncc(C)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001238713253 1042697728 /nfs/dbraw/zinc/69/77/28/1042697728.db2.gz JKISSQIPFBSVIT-UHFFFAOYSA-N 2 1 387.549 3.572 20 0 GHADMP CSc1ncc(C)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001238713253 1042697730 /nfs/dbraw/zinc/69/77/30/1042697730.db2.gz JKISSQIPFBSVIT-UHFFFAOYSA-N 2 1 387.549 3.572 20 0 GHADMP CC[NH+](CC)CCn1cc(-c2ccc3[nH]c([C@H]4[NH2+][C@@H]5CC[C@H]4C5)nc3c2)cn1 ZINC001239207112 1042786726 /nfs/dbraw/zinc/78/67/26/1042786726.db2.gz BKYAZIVLRXGIIH-CDXJDZJCSA-N 2 1 378.524 3.581 20 0 GHADMP Cc1ccc(OC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001239317642 1042808030 /nfs/dbraw/zinc/80/80/30/1042808030.db2.gz GFKARBWGVZMPML-NRFANRHFSA-N 2 1 393.531 3.585 20 0 GHADMP C[C@H]1C[C@@H](n2cc(C[C@H]([NH3+])CO)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256522406 1043447076 /nfs/dbraw/zinc/44/70/76/1043447076.db2.gz GMBYQRBFOGBVSE-NYVOZVTQSA-N 2 1 377.532 3.729 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)N3CCCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256523357 1043447984 /nfs/dbraw/zinc/44/79/84/1043447984.db2.gz OGFDVLXUCCPQRW-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)N3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256523357 1043447995 /nfs/dbraw/zinc/44/79/95/1043447995.db2.gz OGFDVLXUCCPQRW-NZQKXSOJSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256523468 1043450621 /nfs/dbraw/zinc/45/06/21/1043450621.db2.gz OUOINQIAKBHMRA-UYAOXDASSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256523468 1043450636 /nfs/dbraw/zinc/45/06/36/1043450636.db2.gz OUOINQIAKBHMRA-UYAOXDASSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525462 1043453662 /nfs/dbraw/zinc/45/36/62/1043453662.db2.gz ZVINCHNBCIZHQC-UYWIDEMCSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256525462 1043453671 /nfs/dbraw/zinc/45/36/71/1043453671.db2.gz ZVINCHNBCIZHQC-UYWIDEMCSA-N 2 1 387.568 3.885 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534395 1043470104 /nfs/dbraw/zinc/47/01/04/1043470104.db2.gz QSBHATVWAPRRHB-QDSKXPNFSA-N 2 1 393.575 3.912 20 0 GHADMP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC001256534395 1043470113 /nfs/dbraw/zinc/47/01/13/1043470113.db2.gz QSBHATVWAPRRHB-QDSKXPNFSA-N 2 1 393.575 3.912 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536350 1043479825 /nfs/dbraw/zinc/47/98/25/1043479825.db2.gz DMSBOLLZBNKUTM-RDGATRHJSA-N 3 1 399.623 3.864 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536350 1043479849 /nfs/dbraw/zinc/47/98/49/1043479849.db2.gz DMSBOLLZBNKUTM-RDGATRHJSA-N 3 1 399.623 3.864 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256539564 1043487239 /nfs/dbraw/zinc/48/72/39/1043487239.db2.gz DECHCHFZFXPNBR-QQUTXWOLSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC001256539564 1043487248 /nfs/dbraw/zinc/48/72/48/1043487248.db2.gz DECHCHFZFXPNBR-QQUTXWOLSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001256539564 1043487265 /nfs/dbraw/zinc/48/72/65/1043487265.db2.gz DECHCHFZFXPNBR-QQUTXWOLSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CC[NH+]1Cc1ccccc1 ZINC001256539564 1043487271 /nfs/dbraw/zinc/48/72/71/1043487271.db2.gz DECHCHFZFXPNBR-QQUTXWOLSA-N 2 1 381.564 3.515 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256541155 1043490465 /nfs/dbraw/zinc/49/04/65/1043490465.db2.gz KYZDZWIZFDRAGP-PSWRPDDJSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256541155 1043490475 /nfs/dbraw/zinc/49/04/75/1043490475.db2.gz KYZDZWIZFDRAGP-PSWRPDDJSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256541155 1043490491 /nfs/dbraw/zinc/49/04/91/1043490491.db2.gz KYZDZWIZFDRAGP-PSWRPDDJSA-N 2 1 399.579 3.838 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256541155 1043490515 /nfs/dbraw/zinc/49/05/15/1043490515.db2.gz KYZDZWIZFDRAGP-PSWRPDDJSA-N 2 1 399.579 3.838 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256544761 1043498671 /nfs/dbraw/zinc/49/86/71/1043498671.db2.gz OJRZKPNMCNXXLS-AYVPJYCDSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256544761 1043498676 /nfs/dbraw/zinc/49/86/76/1043498676.db2.gz OJRZKPNMCNXXLS-AYVPJYCDSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256544761 1043498687 /nfs/dbraw/zinc/49/86/87/1043498687.db2.gz OJRZKPNMCNXXLS-AYVPJYCDSA-N 2 1 386.580 3.947 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256544761 1043498695 /nfs/dbraw/zinc/49/86/95/1043498695.db2.gz OJRZKPNMCNXXLS-AYVPJYCDSA-N 2 1 386.580 3.947 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256548578 1043508943 /nfs/dbraw/zinc/50/89/43/1043508943.db2.gz BKCWVLYRMCDHFR-OFNKIYASSA-N 2 1 383.580 3.907 20 0 GHADMP CC(=O)N1CCCCC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256548578 1043508949 /nfs/dbraw/zinc/50/89/49/1043508949.db2.gz BKCWVLYRMCDHFR-OFNKIYASSA-N 2 1 383.580 3.907 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256549979 1043512377 /nfs/dbraw/zinc/51/23/77/1043512377.db2.gz KLHUEISPZOMZDB-CVDCTZTESA-N 2 1 383.580 3.810 20 0 GHADMP C[C@H]1C[C@@H]([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256549979 1043512389 /nfs/dbraw/zinc/51/23/89/1043512389.db2.gz KLHUEISPZOMZDB-CVDCTZTESA-N 2 1 383.580 3.810 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256550990 1043514365 /nfs/dbraw/zinc/51/43/65/1043514365.db2.gz OQGJAFRAXYPGCG-QPPBQGQZSA-N 2 1 393.575 3.866 20 0 GHADMP COc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)cc1 ZINC001256550990 1043514371 /nfs/dbraw/zinc/51/43/71/1043514371.db2.gz OQGJAFRAXYPGCG-QPPBQGQZSA-N 2 1 393.575 3.866 20 0 GHADMP COC1CC[NH+](C2CCN([C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)CC1 ZINC001256559299 1043532791 /nfs/dbraw/zinc/53/27/91/1043532791.db2.gz KMBAZLTUEFDYPG-REWPJTCUSA-N 2 1 385.596 3.615 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC001256559528 1043534529 /nfs/dbraw/zinc/53/45/29/1043534529.db2.gz LSFIVWQIQPXMEW-CWJKEVGVSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[N@H+]1Cc1ccccc1 ZINC001256559528 1043534538 /nfs/dbraw/zinc/53/45/38/1043534538.db2.gz LSFIVWQIQPXMEW-CWJKEVGVSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559528 1043534543 /nfs/dbraw/zinc/53/45/43/1043534543.db2.gz LSFIVWQIQPXMEW-CWJKEVGVSA-N 2 1 385.552 3.591 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC001256559528 1043534548 /nfs/dbraw/zinc/53/45/48/1043534548.db2.gz LSFIVWQIQPXMEW-CWJKEVGVSA-N 2 1 385.552 3.591 20 0 GHADMP Cc1cc(C)nc(N(C2CC[NH2+]CC2)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC001256560913 1043534865 /nfs/dbraw/zinc/53/48/65/1043534865.db2.gz URSWPTDOHIWFSY-NZQKXSOJSA-N 2 1 393.579 3.705 20 0 GHADMP C[C@@H]1C[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561574 1043536056 /nfs/dbraw/zinc/53/60/56/1043536056.db2.gz YTZSRWZFFMFXSE-QCFAMHMHSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561574 1043536068 /nfs/dbraw/zinc/53/60/68/1043536068.db2.gz YTZSRWZFFMFXSE-QCFAMHMHSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561574 1043536077 /nfs/dbraw/zinc/53/60/77/1043536077.db2.gz YTZSRWZFFMFXSE-QCFAMHMHSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561574 1043536089 /nfs/dbraw/zinc/53/60/89/1043536089.db2.gz YTZSRWZFFMFXSE-QCFAMHMHSA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561575 1043537022 /nfs/dbraw/zinc/53/70/22/1043537022.db2.gz YTZSRWZFFMFXSE-UKAVVXHISA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561575 1043537031 /nfs/dbraw/zinc/53/70/31/1043537031.db2.gz YTZSRWZFFMFXSE-UKAVVXHISA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561575 1043537034 /nfs/dbraw/zinc/53/70/34/1043537034.db2.gz YTZSRWZFFMFXSE-UKAVVXHISA-N 2 1 387.568 3.885 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256561575 1043537044 /nfs/dbraw/zinc/53/70/44/1043537044.db2.gz YTZSRWZFFMFXSE-UKAVVXHISA-N 2 1 387.568 3.885 20 0 GHADMP c1cc(C[N@@H+]2CCC3(C2)CC[NH+](C2CCN(Cc4ccncc4)CC2)CC3)co1 ZINC001256591540 1043557520 /nfs/dbraw/zinc/55/75/20/1043557520.db2.gz JJFDLXYLCFSQDS-UHFFFAOYSA-N 2 1 394.563 3.627 20 0 GHADMP COc1cccc(C2(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)CCOCC2)c1 ZINC001256600731 1043564345 /nfs/dbraw/zinc/56/43/45/1043564345.db2.gz KEFLKLFXKYITKL-UHFFFAOYSA-N 2 1 394.559 3.998 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256604906 1043567426 /nfs/dbraw/zinc/56/74/26/1043567426.db2.gz ZZJXCYHKFIBVGC-UHFFFAOYSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256606394 1043570804 /nfs/dbraw/zinc/57/08/04/1043570804.db2.gz UUJYTUHPPUTLCY-UHFFFAOYSA-N 2 1 395.595 3.548 20 0 GHADMP c1csc(C[N@H+]2CC[C@@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)CC[C@H]32)n1 ZINC001256607187 1043571921 /nfs/dbraw/zinc/57/19/21/1043571921.db2.gz KHAMWHOEWJSOLD-IFMALSPDSA-N 2 1 396.604 3.704 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)cc1 ZINC001256611918 1043575998 /nfs/dbraw/zinc/57/59/98/1043575998.db2.gz ZTFFHHFILCONDD-ZCYQVOJMSA-N 2 1 375.560 3.857 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3CN(C4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)cc1 ZINC001256611918 1043576000 /nfs/dbraw/zinc/57/60/00/1043576000.db2.gz ZTFFHHFILCONDD-ZCYQVOJMSA-N 2 1 375.560 3.857 20 0 GHADMP Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256689381 1043624026 /nfs/dbraw/zinc/62/40/26/1043624026.db2.gz VHFPBBGQNNTOEW-HRTMPFAESA-N 2 1 399.579 3.740 20 0 GHADMP CC[C@H](C)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OCc1ccccc1 ZINC001256849918 1043700530 /nfs/dbraw/zinc/70/05/30/1043700530.db2.gz OUCVZKVXXVDKJH-AVRDEDQJSA-N 2 1 381.520 3.798 20 0 GHADMP FC(F)(F)c1cccnc1N1CCC([NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC001256886185 1043722906 /nfs/dbraw/zinc/72/29/06/1043722906.db2.gz HZMNECDXHROIIO-UHFFFAOYSA-N 2 1 382.474 3.629 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC(C[NH2+][C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256904284 1043733529 /nfs/dbraw/zinc/73/35/29/1043733529.db2.gz FQPJFSKQUNTUAI-FQEVSTJZSA-N 2 1 393.579 3.843 20 0 GHADMP c1ccc2c(c1)ncnc2N1CCC(C[NH2+][C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256904284 1043733543 /nfs/dbraw/zinc/73/35/43/1043733543.db2.gz FQPJFSKQUNTUAI-FQEVSTJZSA-N 2 1 393.579 3.843 20 0 GHADMP OC[C@H]1C[N@H+](C2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CCO1 ZINC001256931592 1043756790 /nfs/dbraw/zinc/75/67/90/1043756790.db2.gz KTMXFUNFHQXLMB-DDJHWDJXSA-N 2 1 394.559 3.693 20 0 GHADMP C[C@@H]1CC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)C[C@@H](C)O1 ZINC001257091683 1043840408 /nfs/dbraw/zinc/84/04/08/1043840408.db2.gz GCEWHWYJOOFIMF-ZHALLVOQSA-N 2 1 378.582 3.759 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1)[NH+](C)C1CC1 ZINC001292778454 1043872421 /nfs/dbraw/zinc/87/24/21/1043872421.db2.gz VXAKKAIXRSUHPQ-OFAXGOBFSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)[N@H+](C)C1CC1 ZINC001292778454 1043872441 /nfs/dbraw/zinc/87/24/41/1043872441.db2.gz VXAKKAIXRSUHPQ-OFAXGOBFSA-N 2 1 383.580 3.524 20 0 GHADMP C[C@@H](CNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1)[N@@H+](C)C1CC1 ZINC001292778454 1043872459 /nfs/dbraw/zinc/87/24/59/1043872459.db2.gz VXAKKAIXRSUHPQ-OFAXGOBFSA-N 2 1 383.580 3.524 20 0 GHADMP CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001257163819 1043909538 /nfs/dbraw/zinc/90/95/38/1043909538.db2.gz XONLIBUSKHGCLQ-QGZVFWFLSA-N 2 1 381.520 3.737 20 0 GHADMP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)CCc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001257282689 1043955238 /nfs/dbraw/zinc/95/52/38/1043955238.db2.gz OVPAXZIYARAHTN-RVSNTGDXSA-N 2 1 382.548 3.822 20 0 GHADMP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)CCc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001257282689 1043955243 /nfs/dbraw/zinc/95/52/43/1043955243.db2.gz OVPAXZIYARAHTN-RVSNTGDXSA-N 2 1 382.548 3.822 20 0 GHADMP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)CCc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001257282689 1043955244 /nfs/dbraw/zinc/95/52/44/1043955244.db2.gz OVPAXZIYARAHTN-RVSNTGDXSA-N 2 1 382.548 3.822 20 0 GHADMP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)CCc3ccc4cc(OC)ccc4c3)C[C@@H]2C1 ZINC001257282689 1043955246 /nfs/dbraw/zinc/95/52/46/1043955246.db2.gz OVPAXZIYARAHTN-RVSNTGDXSA-N 2 1 382.548 3.822 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001257563246 1044049027 /nfs/dbraw/zinc/04/90/27/1044049027.db2.gz DXKSDTAEBZNEIX-MRXNPFEDSA-N 2 1 395.385 3.955 20 0 GHADMP C[C@H](Cc1ccc(Br)cc1)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001257563246 1044049039 /nfs/dbraw/zinc/04/90/39/1044049039.db2.gz DXKSDTAEBZNEIX-MRXNPFEDSA-N 2 1 395.385 3.955 20 0 GHADMP COCCOC[N@H+]1CCCC2(CCN(Cc3csc(C(C)C)n3)CC2)C1 ZINC001279024981 1044061432 /nfs/dbraw/zinc/06/14/32/1044061432.db2.gz DFKXDFKWZRVKMR-UHFFFAOYSA-N 2 1 381.586 3.565 20 0 GHADMP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257960036 1044277870 /nfs/dbraw/zinc/27/78/70/1044277870.db2.gz PUPGCJWOQDFMAZ-TUNNFDKTSA-N 2 1 386.923 3.523 20 0 GHADMP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257960036 1044277885 /nfs/dbraw/zinc/27/78/85/1044277885.db2.gz PUPGCJWOQDFMAZ-TUNNFDKTSA-N 2 1 386.923 3.523 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC1 ZINC001258014121 1044341240 /nfs/dbraw/zinc/34/12/40/1044341240.db2.gz CJQHCJKOFMJEQR-XMMPIXPASA-N 2 1 381.564 3.507 20 0 GHADMP CC(C)C[NH+]1CCC([N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001258016373 1044344069 /nfs/dbraw/zinc/34/40/69/1044344069.db2.gz GUZRAOJUYRRTBB-UHFFFAOYSA-N 2 1 384.490 3.733 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001258016373 1044344085 /nfs/dbraw/zinc/34/40/85/1044344085.db2.gz GUZRAOJUYRRTBB-UHFFFAOYSA-N 2 1 384.490 3.733 20 0 GHADMP CCOC(=O)CC1CCC([NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)CC1 ZINC001258031479 1044356251 /nfs/dbraw/zinc/35/62/51/1044356251.db2.gz SARBJLLVDHAXDT-YBXZHIRMSA-N 2 1 376.566 3.624 20 0 GHADMP CCOC(=O)CC1CCC([N@@H+]([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)CC1 ZINC001258032429 1044357636 /nfs/dbraw/zinc/35/76/36/1044357636.db2.gz XUBMOQJNVKJUKZ-CTWPCTMYSA-N 2 1 380.573 3.510 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001258050293 1044370715 /nfs/dbraw/zinc/37/07/15/1044370715.db2.gz COWRYSGHCOOVPZ-WCIQWLHISA-N 2 1 381.605 3.978 20 0 GHADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001258050293 1044370718 /nfs/dbraw/zinc/37/07/18/1044370718.db2.gz COWRYSGHCOOVPZ-WCIQWLHISA-N 2 1 381.605 3.978 20 0 GHADMP CCOC(=O)CCC[C@H](C)[N@@H+](Cc1ccccc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001258113114 1044401077 /nfs/dbraw/zinc/40/10/77/1044401077.db2.gz PMPHCDRJDHTCFZ-IHPCNDPISA-N 2 1 376.541 3.889 20 0 GHADMP Fc1ccccc1CN1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258137978 1044424344 /nfs/dbraw/zinc/42/43/44/1044424344.db2.gz NJAMIMOFLKWCCX-HSZRJFAPSA-N 2 1 381.539 3.697 20 0 GHADMP COc1ccccc1O[C@H]1CC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC001258146064 1044432758 /nfs/dbraw/zinc/43/27/58/1044432758.db2.gz QXQHXMNQNAXASZ-QFIPXVFZSA-N 2 1 380.532 3.855 20 0 GHADMP COc1ccccc1O[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146064 1044432783 /nfs/dbraw/zinc/43/27/83/1044432783.db2.gz QXQHXMNQNAXASZ-QFIPXVFZSA-N 2 1 380.532 3.855 20 0 GHADMP COc1ccccc1O[C@H]1CC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC001258146064 1044432794 /nfs/dbraw/zinc/43/27/94/1044432794.db2.gz QXQHXMNQNAXASZ-QFIPXVFZSA-N 2 1 380.532 3.855 20 0 GHADMP COC(=O)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC001258358055 1044522265 /nfs/dbraw/zinc/52/22/65/1044522265.db2.gz MPVNEIRTGHEEQA-PMOQBDJRSA-N 2 1 380.532 3.976 20 0 GHADMP O=C1CC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CCN1Cc1ccccc1 ZINC001258582672 1044656976 /nfs/dbraw/zinc/65/69/76/1044656976.db2.gz ADSMYVVSRAPPOQ-DHIUTWEWSA-N 2 1 383.580 3.908 20 0 GHADMP CCC[NH+]1CCC([N@H+]2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CC[C@H]3F)CC1 ZINC001258772388 1044757147 /nfs/dbraw/zinc/75/71/47/1044757147.db2.gz PJXBDYCVGSXIFM-NQIIRXRSSA-N 2 1 383.552 3.532 20 0 GHADMP COc1cc(C[C@H](C)[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc(OC)c1OC ZINC001258872112 1044813971 /nfs/dbraw/zinc/81/39/71/1044813971.db2.gz NYSQGFDDJJUAAW-ICSRJNTNSA-N 2 1 390.568 3.984 20 0 GHADMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001258911035 1044866940 /nfs/dbraw/zinc/86/69/40/1044866940.db2.gz ZGDKYNSKNNRUJK-UGKGYDQZSA-N 2 1 397.604 3.599 20 0 GHADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)c2)CC1 ZINC001296011870 1045221150 /nfs/dbraw/zinc/22/11/50/1045221150.db2.gz AJCKQJBUYXFYGE-HSZRJFAPSA-N 2 1 398.595 3.953 20 0 GHADMP C[NH+](C)CC1(NC(=O)[C@@H](F)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC001297081214 1045444250 /nfs/dbraw/zinc/44/42/50/1045444250.db2.gz XLNDUXNQEBGBLY-QFIPXVFZSA-N 2 1 397.538 3.627 20 0 GHADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606660117 1047327024 /nfs/dbraw/zinc/32/70/24/1047327024.db2.gz QOHXSSVNVVRZLW-PKTZIBPZSA-N 2 1 398.595 3.701 20 0 GHADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1Cl ZINC001279301072 1047759955 /nfs/dbraw/zinc/75/99/55/1047759955.db2.gz AXGHZQXICKGIJZ-IYBDPMFKSA-N 2 1 398.378 3.534 20 0 GHADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CC(=O)N(C)C)CC[C@@H]3C2)c(Cl)c1Cl ZINC001279301072 1047759959 /nfs/dbraw/zinc/75/99/59/1047759959.db2.gz AXGHZQXICKGIJZ-IYBDPMFKSA-N 2 1 398.378 3.534 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC001279396717 1047792654 /nfs/dbraw/zinc/79/26/54/1047792654.db2.gz CWEJBJUNFNCXFA-UHFFFAOYSA-N 2 1 384.923 3.778 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1 ZINC001279396717 1047792660 /nfs/dbraw/zinc/79/26/60/1047792660.db2.gz CWEJBJUNFNCXFA-UHFFFAOYSA-N 2 1 384.923 3.778 20 0 GHADMP Brc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279397580 1047793309 /nfs/dbraw/zinc/79/33/09/1047793309.db2.gz ILBQRZRNZLWGRR-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279397580 1047793315 /nfs/dbraw/zinc/79/33/15/1047793315.db2.gz ILBQRZRNZLWGRR-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP Brc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)s1 ZINC001279397580 1047793319 /nfs/dbraw/zinc/79/33/19/1047793319.db2.gz ILBQRZRNZLWGRR-GASCZTMLSA-N 2 1 395.370 3.578 20 0 GHADMP COCCOC[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3SC)CC2)C1 ZINC001279414505 1047798169 /nfs/dbraw/zinc/79/81/69/1047798169.db2.gz KGZSHSPHXWDQBY-UHFFFAOYSA-N 2 1 378.582 3.707 20 0 GHADMP COCCOC[N@H+]1CCCC2(CC[NH+](Cc3ccccc3SC)CC2)C1 ZINC001279414505 1047798178 /nfs/dbraw/zinc/79/81/78/1047798178.db2.gz KGZSHSPHXWDQBY-UHFFFAOYSA-N 2 1 378.582 3.707 20 0 GHADMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3c(Cl)cccc3SC)C[C@H]2CC1 ZINC001279494289 1047823778 /nfs/dbraw/zinc/82/37/78/1047823778.db2.gz DXYHYOQLSDICLH-CALCHBBNSA-N 2 1 399.000 3.826 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3c(Cl)cccc3SC)C[C@H]2CC1 ZINC001279494289 1047823787 /nfs/dbraw/zinc/82/37/87/1047823787.db2.gz DXYHYOQLSDICLH-CALCHBBNSA-N 2 1 399.000 3.826 20 0 GHADMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3c(Cl)cccc3SC)C[C@H]2CC1 ZINC001279494289 1047823792 /nfs/dbraw/zinc/82/37/92/1047823792.db2.gz DXYHYOQLSDICLH-CALCHBBNSA-N 2 1 399.000 3.826 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001279595826 1047859197 /nfs/dbraw/zinc/85/91/97/1047859197.db2.gz BZNYTVRVNRVOIF-GHTZIAJQSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001279595826 1047859207 /nfs/dbraw/zinc/85/92/07/1047859207.db2.gz BZNYTVRVNRVOIF-GHTZIAJQSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001279595826 1047859220 /nfs/dbraw/zinc/85/92/20/1047859220.db2.gz BZNYTVRVNRVOIF-GHTZIAJQSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCOC(C)(C)C1)C2 ZINC001279595826 1047859227 /nfs/dbraw/zinc/85/92/27/1047859227.db2.gz BZNYTVRVNRVOIF-GHTZIAJQSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001279595829 1047860585 /nfs/dbraw/zinc/86/05/85/1047860585.db2.gz BZNYTVRVNRVOIF-WIYYLYMNSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001279595829 1047860606 /nfs/dbraw/zinc/86/06/06/1047860606.db2.gz BZNYTVRVNRVOIF-WIYYLYMNSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001279595829 1047860621 /nfs/dbraw/zinc/86/06/21/1047860621.db2.gz BZNYTVRVNRVOIF-WIYYLYMNSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCOC(C)(C)C1)C2 ZINC001279595829 1047860638 /nfs/dbraw/zinc/86/06/38/1047860638.db2.gz BZNYTVRVNRVOIF-WIYYLYMNSA-N 2 1 377.598 3.945 20 0 GHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccsc2Cl)CC3)n(C)n1 ZINC001279692800 1047918065 /nfs/dbraw/zinc/91/80/65/1047918065.db2.gz LIXXKUILSJGHDH-UHFFFAOYSA-N 2 1 378.973 3.932 20 0 GHADMP COc1cccc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c1Cl ZINC001279694604 1047920052 /nfs/dbraw/zinc/92/00/52/1047920052.db2.gz ANZPDWWGMZAQDF-NRFANRHFSA-N 2 1 379.976 3.588 20 0 GHADMP Cc1cc(I)c(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc1C ZINC001280048517 1048063176 /nfs/dbraw/zinc/06/31/76/1048063176.db2.gz UHOBQNAKSTWHMZ-IYBDPMFKSA-N 2 1 398.332 3.682 20 0 GHADMP Cc1cc(I)c(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C ZINC001280048517 1048063190 /nfs/dbraw/zinc/06/31/90/1048063190.db2.gz UHOBQNAKSTWHMZ-IYBDPMFKSA-N 2 1 398.332 3.682 20 0 GHADMP Cc1cc(I)c(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc1C ZINC001280048517 1048063206 /nfs/dbraw/zinc/06/32/06/1048063206.db2.gz UHOBQNAKSTWHMZ-IYBDPMFKSA-N 2 1 398.332 3.682 20 0 GHADMP CC(C)c1nnc(N2CCC[N@H+](C(C)C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001287206954 1048653682 /nfs/dbraw/zinc/65/36/82/1048653682.db2.gz HICFULWPGZCULN-NRFANRHFSA-N 2 1 398.599 3.625 20 0 GHADMP C[C@@H]1SCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC001307472402 1049308965 /nfs/dbraw/zinc/30/89/65/1049308965.db2.gz MUVBBNNUBXZHIX-QTGUNEKASA-N 2 1 397.588 3.584 20 0 GHADMP C[C@@H]1SCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC001307472402 1049308969 /nfs/dbraw/zinc/30/89/69/1049308969.db2.gz MUVBBNNUBXZHIX-QTGUNEKASA-N 2 1 397.588 3.584 20 0 GHADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001307485054 1049324564 /nfs/dbraw/zinc/32/45/64/1049324564.db2.gz BGZLGAJUJPHQSN-XXBNENTESA-N 2 1 385.596 3.976 20 0 GHADMP C[N@H+](CCOc1ccccc1C(=O)OC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC001307497184 1049336232 /nfs/dbraw/zinc/33/62/32/1049336232.db2.gz DGFWAYMLQRDYPV-SFHVURJKSA-N 2 1 376.541 3.827 20 0 GHADMP C[N@@H+](CCOc1ccccc1C(=O)OC(C)(C)C)CC[C@@H]1CCCC[NH+]1C ZINC001307497184 1049336240 /nfs/dbraw/zinc/33/62/40/1049336240.db2.gz DGFWAYMLQRDYPV-SFHVURJKSA-N 2 1 376.541 3.827 20 0 GHADMP C[NH+](CCOc1ccccc1C(=O)OC(C)(C)C)CC[C@@H]1CCCC[N@@H+]1C ZINC001307497184 1049336248 /nfs/dbraw/zinc/33/62/48/1049336248.db2.gz DGFWAYMLQRDYPV-SFHVURJKSA-N 2 1 376.541 3.827 20 0 GHADMP C[NH+](CCOc1ccccc1C(=O)OC(C)(C)C)CC[C@@H]1CCCC[N@H+]1C ZINC001307497184 1049336254 /nfs/dbraw/zinc/33/62/54/1049336254.db2.gz DGFWAYMLQRDYPV-SFHVURJKSA-N 2 1 376.541 3.827 20 0 GHADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)cc4ccccc43)CC2)CC1 ZINC001307551787 1049392945 /nfs/dbraw/zinc/39/29/45/1049392945.db2.gz MBIHHRKEXXMQQR-UHFFFAOYSA-N 2 1 399.966 3.869 20 0 GHADMP O=C(C[NH2+]C1(C2CCC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307892413 1049670447 /nfs/dbraw/zinc/67/04/47/1049670447.db2.gz JDVVVAMUWBLESI-LJQANCHMSA-N 2 1 375.944 3.515 20 0 GHADMP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(CN2CCOCC2)cc1 ZINC001308142789 1049881059 /nfs/dbraw/zinc/88/10/59/1049881059.db2.gz SMCBMNHRGCLKAI-UHFFFAOYSA-N 2 1 376.504 3.541 20 0 GHADMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)C[N@H+]2C1 ZINC001290687291 1049901304 /nfs/dbraw/zinc/90/13/04/1049901304.db2.gz LZYGHHSEUCYMBP-PTUXOGIPSA-N 2 1 383.580 3.655 20 0 GHADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(F)cc(C(F)(F)F)c3)cc2)CC1 ZINC001308200697 1049910371 /nfs/dbraw/zinc/91/03/71/1049910371.db2.gz QPRUKWPXNZZARA-UHFFFAOYSA-N 2 1 395.444 3.882 20 0 GHADMP CCOc1cc(F)cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)c1 ZINC001308204091 1049911953 /nfs/dbraw/zinc/91/19/53/1049911953.db2.gz YREPSJWTBSFAJB-UHFFFAOYSA-N 2 1 385.527 3.652 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc4ccc(Cl)cn34)CC2)oc1C ZINC001308245715 1049924682 /nfs/dbraw/zinc/92/46/82/1049924682.db2.gz FZRSNADJKLOHOT-UHFFFAOYSA-N 2 1 387.915 3.594 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001290961147 1049961099 /nfs/dbraw/zinc/96/10/99/1049961099.db2.gz LNECFVKNGPVSSN-BGYRXZFFSA-N 2 1 383.580 3.657 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2ncccc12 ZINC001308442498 1049977358 /nfs/dbraw/zinc/97/73/58/1049977358.db2.gz ZDYQHOZKRIUDDY-ZJSXRUAMSA-N 2 1 375.516 3.862 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc2ncccc12 ZINC001308442498 1049977359 /nfs/dbraw/zinc/97/73/59/1049977359.db2.gz ZDYQHOZKRIUDDY-ZJSXRUAMSA-N 2 1 375.516 3.862 20 0 GHADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)C1 ZINC001308465845 1049982606 /nfs/dbraw/zinc/98/26/06/1049982606.db2.gz SMMHNKWUDOKSRT-AWEZNQCLSA-N 2 1 377.330 3.661 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601814 1050028364 /nfs/dbraw/zinc/02/83/64/1050028364.db2.gz XGCAEKLOYYLUEE-LSDHHAIUSA-N 2 1 381.483 3.638 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601814 1050028367 /nfs/dbraw/zinc/02/83/67/1050028367.db2.gz XGCAEKLOYYLUEE-LSDHHAIUSA-N 2 1 381.483 3.638 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601814 1050028372 /nfs/dbraw/zinc/02/83/72/1050028372.db2.gz XGCAEKLOYYLUEE-LSDHHAIUSA-N 2 1 381.483 3.638 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001308601814 1050028377 /nfs/dbraw/zinc/02/83/77/1050028377.db2.gz XGCAEKLOYYLUEE-LSDHHAIUSA-N 2 1 381.483 3.638 20 0 GHADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001308617419 1050034977 /nfs/dbraw/zinc/03/49/77/1050034977.db2.gz DAKUYVGQAYRUDT-AQNXPRMDSA-N 2 1 379.589 3.878 20 0 GHADMP CC(C)Cc1ccc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)cn1 ZINC001308623021 1050037084 /nfs/dbraw/zinc/03/70/84/1050037084.db2.gz DOKTUBVLODBANL-UHFFFAOYSA-N 2 1 396.579 3.543 20 0 GHADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC001308720692 1050071140 /nfs/dbraw/zinc/07/11/40/1050071140.db2.gz NLTFNNKLTQQKIP-UTKZUKDTSA-N 2 1 378.582 3.613 20 0 GHADMP CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(=O)NCc1cccs1 ZINC001308834526 1050114098 /nfs/dbraw/zinc/11/40/98/1050114098.db2.gz FYZXQMXSWXQRPW-BPBCIEFSSA-N 2 1 397.588 3.786 20 0 GHADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[C@H](n2cncn2)C1 ZINC001327610722 1050232688 /nfs/dbraw/zinc/23/26/88/1050232688.db2.gz FXJMWDFARMSOFE-XBYSBRQOSA-N 2 1 393.579 3.900 20 0 GHADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC001310961520 1051736174 /nfs/dbraw/zinc/73/61/74/1051736174.db2.gz GLAHMNRDSDOXKP-MSOLQXFVSA-N 2 1 390.597 3.821 20 0 GHADMP O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001333581211 1051776676 /nfs/dbraw/zinc/77/66/76/1051776676.db2.gz CIBFMVDLKSVAMM-MRXNPFEDSA-N 2 1 382.483 3.827 20 0 GHADMP O=C(Nc1ccccc1F)Nc1cccc2c1CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC001333581211 1051776696 /nfs/dbraw/zinc/77/66/96/1051776696.db2.gz CIBFMVDLKSVAMM-MRXNPFEDSA-N 2 1 382.483 3.827 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1)CC(C)C ZINC001311397053 1052091380 /nfs/dbraw/zinc/09/13/80/1052091380.db2.gz CRBCDXPOLIKUOW-UHFFFAOYSA-N 2 1 380.621 3.508 20 0 GHADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(C)(C)C[NH+](C)C ZINC001311496715 1052202736 /nfs/dbraw/zinc/20/27/36/1052202736.db2.gz XJKPKEJXPGUKGD-MOPGFXCFSA-N 2 1 388.600 3.837 20 0 GHADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC001311553329 1052239903 /nfs/dbraw/zinc/23/99/03/1052239903.db2.gz BZAFWNYLURDGES-WOJBJXKFSA-N 2 1 388.600 3.564 20 0 GHADMP CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001312118449 1052582686 /nfs/dbraw/zinc/58/26/86/1052582686.db2.gz GRYUBBRYFSGCRE-BHDDXSALSA-N 2 1 386.584 3.555 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC001312180041 1052620008 /nfs/dbraw/zinc/62/00/08/1052620008.db2.gz BFTCGTBANKYFRI-JOCHJYFZSA-N 2 1 388.600 3.849 20 0 GHADMP C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC001312481236 1052760789 /nfs/dbraw/zinc/76/07/89/1052760789.db2.gz VWQLZVDAVQALIR-ACJLOTCBSA-N 2 1 399.366 3.546 20 0 GHADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC001312647110 1052824218 /nfs/dbraw/zinc/82/42/18/1052824218.db2.gz FEWGIRYAHSSNPO-XFGYDDDFSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1CN(C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+](C2CCC2)C1 ZINC001312713032 1052846165 /nfs/dbraw/zinc/84/61/65/1052846165.db2.gz KTGQMQCJSDKBHG-FQEVSTJZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+](C2CCC2)C1 ZINC001312713032 1052846167 /nfs/dbraw/zinc/84/61/67/1052846167.db2.gz KTGQMQCJSDKBHG-FQEVSTJZSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1CN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+](C2CCC2)C1 ZINC001312713032 1052846169 /nfs/dbraw/zinc/84/61/69/1052846169.db2.gz KTGQMQCJSDKBHG-FQEVSTJZSA-N 2 1 398.595 3.557 20 0 GHADMP O=C(NC[C@H]1CC[NH+]1C1CCCCCC1)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001313174022 1052976548 /nfs/dbraw/zinc/97/65/48/1052976548.db2.gz YFUBAFBNYVYTBM-FGZHOGPDSA-N 2 1 390.616 3.880 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)NC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001313433532 1053053185 /nfs/dbraw/zinc/05/31/85/1053053185.db2.gz RKJNVUDUNCHCCI-IFMALSPDSA-N 2 1 388.600 3.803 20 0 GHADMP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC001342325088 1053108866 /nfs/dbraw/zinc/10/88/66/1053108866.db2.gz KSJMPBSVLDKBAW-DEOSSOPVSA-N 2 1 390.506 3.852 20 0 GHADMP [NH3+]C[C@@H]1CCCC12CCN(C(=O)[C@@H]1CCn3c(c[nH+]c3C3CCCCC3)C1)CC2 ZINC001342760641 1053341585 /nfs/dbraw/zinc/34/15/85/1053341585.db2.gz FJEDSPVKJRIWOH-UXHICEINSA-N 2 1 398.595 3.861 20 0 GHADMP CC(C)C[C@H](CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC001319096050 1055034775 /nfs/dbraw/zinc/03/47/75/1055034775.db2.gz XXNPFTMLENJPGA-KSEOMHKRSA-N 2 1 386.584 3.632 20 0 GHADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319201795 1055092479 /nfs/dbraw/zinc/09/24/79/1055092479.db2.gz WGVIOKJFZCOMLV-XYPHTWIQSA-N 2 1 387.446 3.765 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001322075655 1056505614 /nfs/dbraw/zinc/50/56/14/1056505614.db2.gz WGRGRTQBKXBHAV-GOTSBHOMSA-N 2 1 383.580 3.684 20 0 GHADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC001200704229 1056770734 /nfs/dbraw/zinc/77/07/34/1056770734.db2.gz RRPUJFYSUMALSH-LADGPHEKSA-N 2 1 382.548 3.756 20 0 GHADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC001200704229 1056770746 /nfs/dbraw/zinc/77/07/46/1056770746.db2.gz RRPUJFYSUMALSH-LADGPHEKSA-N 2 1 382.548 3.756 20 0 GHADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC001200704228 1056771179 /nfs/dbraw/zinc/77/11/79/1056771179.db2.gz RRPUJFYSUMALSH-ISKFKSNPSA-N 2 1 382.548 3.756 20 0 GHADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC001200704228 1056771186 /nfs/dbraw/zinc/77/11/86/1056771186.db2.gz RRPUJFYSUMALSH-ISKFKSNPSA-N 2 1 382.548 3.756 20 0 GHADMP O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001324348824 1057117899 /nfs/dbraw/zinc/11/78/99/1057117899.db2.gz PKHKLHGRELWBOS-BRTIRZTQSA-N 2 1 381.564 3.563 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001324786657 1057226330 /nfs/dbraw/zinc/22/63/30/1057226330.db2.gz ZRYICISBALSSMQ-BHGTWAMESA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001324786657 1057226336 /nfs/dbraw/zinc/22/63/36/1057226336.db2.gz ZRYICISBALSSMQ-BHGTWAMESA-N 2 1 386.584 3.600 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001324786657 1057226341 /nfs/dbraw/zinc/22/63/41/1057226341.db2.gz ZRYICISBALSSMQ-BHGTWAMESA-N 2 1 386.584 3.600 20 0 GHADMP CCN(Cc1ccc(/C=C\C(=O)OC)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848889043 1057399000 /nfs/dbraw/zinc/39/90/00/1057399000.db2.gz GLYWRKQRTFSGMO-DUQGCJEPSA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@@H+](Cc1ccc(/C=C\C(=O)OC)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848889043 1057399003 /nfs/dbraw/zinc/39/90/03/1057399003.db2.gz GLYWRKQRTFSGMO-DUQGCJEPSA-N 2 1 382.504 3.810 20 0 GHADMP CC[N@H+](Cc1ccc(/C=C\C(=O)OC)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000848889043 1057399009 /nfs/dbraw/zinc/39/90/09/1057399009.db2.gz GLYWRKQRTFSGMO-DUQGCJEPSA-N 2 1 382.504 3.810 20 0 GHADMP COC(=O)/C=C\c1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)o1 ZINC000848897210 1057405201 /nfs/dbraw/zinc/40/52/01/1057405201.db2.gz GKANJTOTZXBAQW-SKFQIZJUSA-N 2 1 382.504 3.712 20 0 GHADMP CC(C)[N@H+]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001326099220 1057414602 /nfs/dbraw/zinc/41/46/02/1057414602.db2.gz WHEQKVORXSSZOR-NOTZXAQLSA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001326099220 1057414605 /nfs/dbraw/zinc/41/46/05/1057414605.db2.gz WHEQKVORXSSZOR-NOTZXAQLSA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)[NH+]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001326099220 1057414608 /nfs/dbraw/zinc/41/46/08/1057414608.db2.gz WHEQKVORXSSZOR-NOTZXAQLSA-N 2 1 398.595 3.698 20 0 GHADMP FC(F)Oc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c(OC(F)F)c1 ZINC001326236938 1057440080 /nfs/dbraw/zinc/44/00/80/1057440080.db2.gz SNXNGEGFDIAGKM-UHFFFAOYSA-N 2 1 376.394 3.855 20 0 GHADMP Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cs2)cc1 ZINC001326389847 1057472867 /nfs/dbraw/zinc/47/28/67/1057472867.db2.gz DMFGHWFPWAYEAB-UHFFFAOYSA-N 2 1 398.576 3.598 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000849001952 1057506953 /nfs/dbraw/zinc/50/69/53/1057506953.db2.gz UKVDDOZCYWJLKP-QGZVFWFLSA-N 2 1 391.972 3.604 20 0 GHADMP C[NH+](C)[C@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC001326758458 1057550750 /nfs/dbraw/zinc/55/07/50/1057550750.db2.gz WXCJBFMROMDDGP-FQEVSTJZSA-N 2 1 389.927 3.659 20 0 GHADMP COc1ccccc1CNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000849063564 1057574040 /nfs/dbraw/zinc/57/40/40/1057574040.db2.gz JPRRBMZOVPVPBG-HXUWFJFHSA-N 2 1 396.535 3.545 20 0 GHADMP C[NH+]1CCN([C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)c2cccs2)CC1 ZINC000849096985 1057592870 /nfs/dbraw/zinc/59/28/70/1057592870.db2.gz RDUFZIKOPNJULG-HXUWFJFHSA-N 2 1 397.592 3.552 20 0 GHADMP CC(C)(C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+]1CCCCC1 ZINC001440734169 1058601335 /nfs/dbraw/zinc/60/13/35/1058601335.db2.gz AFANTYZZIDVAHW-IBGZPJMESA-N 2 1 377.960 3.858 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccsc1 ZINC001441312230 1058748066 /nfs/dbraw/zinc/74/80/66/1058748066.db2.gz JMHCDBBFYHJGDS-QHAWAJNXSA-N 2 1 385.577 3.593 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001441348448 1058757038 /nfs/dbraw/zinc/75/70/38/1058757038.db2.gz AHFFKXSXIOPMMM-XXBNENTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001441348448 1058757047 /nfs/dbraw/zinc/75/70/47/1058757047.db2.gz AHFFKXSXIOPMMM-XXBNENTESA-N 2 1 383.580 3.942 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001441348448 1058757057 /nfs/dbraw/zinc/75/70/57/1058757057.db2.gz AHFFKXSXIOPMMM-XXBNENTESA-N 2 1 383.580 3.942 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001444889150 1059406237 /nfs/dbraw/zinc/40/62/37/1059406237.db2.gz CVDUYEHVXXOYTE-WXFUMESZSA-N 2 1 399.623 3.971 20 0 GHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001444889150 1059406242 /nfs/dbraw/zinc/40/62/42/1059406242.db2.gz CVDUYEHVXXOYTE-WXFUMESZSA-N 2 1 399.623 3.971 20 0 GHADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC001444889150 1059406246 /nfs/dbraw/zinc/40/62/46/1059406246.db2.gz CVDUYEHVXXOYTE-WXFUMESZSA-N 2 1 399.623 3.971 20 0 GHADMP CCCN(C(=O)c1csc([C@H](C)[NH3+])n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001340044092 1059646420 /nfs/dbraw/zinc/64/64/20/1059646420.db2.gz GDPUUKFFBFTJCI-FUHWJXTLSA-N 2 1 386.565 3.680 20 0 GHADMP CCCN(C(=O)c1csc([C@H](C)[NH3+])n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001340044092 1059646437 /nfs/dbraw/zinc/64/64/37/1059646437.db2.gz GDPUUKFFBFTJCI-FUHWJXTLSA-N 2 1 386.565 3.680 20 0 GHADMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102331 1059928332 /nfs/dbraw/zinc/92/83/32/1059928332.db2.gz DDTKYLVOPYRYOC-ABSDTBQOSA-N 2 1 395.950 3.710 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102331 1059928338 /nfs/dbraw/zinc/92/83/38/1059928338.db2.gz DDTKYLVOPYRYOC-ABSDTBQOSA-N 2 1 395.950 3.710 20 0 GHADMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC001447102331 1059928341 /nfs/dbraw/zinc/92/83/41/1059928341.db2.gz DDTKYLVOPYRYOC-ABSDTBQOSA-N 2 1 395.950 3.710 20 0 GHADMP C[C@@]1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)C1 ZINC001448717509 1060250154 /nfs/dbraw/zinc/25/01/54/1060250154.db2.gz HIZFIQBMIJLRDM-VWNXMTODSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@]1(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001448717509 1060250173 /nfs/dbraw/zinc/25/01/73/1060250173.db2.gz HIZFIQBMIJLRDM-VWNXMTODSA-N 2 1 383.580 3.812 20 0 GHADMP C[C@@]1(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001448717509 1060250194 /nfs/dbraw/zinc/25/01/94/1060250194.db2.gz HIZFIQBMIJLRDM-VWNXMTODSA-N 2 1 383.580 3.812 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cc(C)ccc1OC ZINC001341675004 1060802659 /nfs/dbraw/zinc/80/26/59/1060802659.db2.gz JTERPSLYRDDHKO-QHCPKHFHSA-N 2 1 381.564 3.992 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001342063731 1061036587 /nfs/dbraw/zinc/03/65/87/1061036587.db2.gz YMENUIDVUWAQEP-ICSRJNTNSA-N 2 1 375.557 3.792 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC001342063731 1061036606 /nfs/dbraw/zinc/03/66/06/1061036606.db2.gz YMENUIDVUWAQEP-ICSRJNTNSA-N 2 1 375.557 3.792 20 0 GHADMP C[C@H](CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1)[NH+](C)C ZINC001453163236 1061085120 /nfs/dbraw/zinc/08/51/20/1061085120.db2.gz JBYMQCIXWZIGCX-QFZRFWILSA-N 2 1 393.575 3.533 20 0 GHADMP Brc1csc(-c2noc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c1 ZINC001346018654 1061295450 /nfs/dbraw/zinc/29/54/50/1061295450.db2.gz YKFQMJYZTLZEMH-UHFFFAOYSA-N 2 1 397.342 3.526 20 0 GHADMP Brc1csc(-c2noc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c1 ZINC001346018654 1061295466 /nfs/dbraw/zinc/29/54/66/1061295466.db2.gz YKFQMJYZTLZEMH-UHFFFAOYSA-N 2 1 397.342 3.526 20 0 GHADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001436160480 1063248347 /nfs/dbraw/zinc/24/83/47/1063248347.db2.gz BCPMKCQWHRMTSN-QHCPKHFHSA-N 2 1 389.559 3.747 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)C(C)C ZINC001457688719 1063313775 /nfs/dbraw/zinc/31/37/75/1063313775.db2.gz YCKVRMRZTYFGIA-NRFANRHFSA-N 2 1 377.548 3.805 20 0 GHADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)C(C)C ZINC001457688719 1063313795 /nfs/dbraw/zinc/31/37/95/1063313795.db2.gz YCKVRMRZTYFGIA-NRFANRHFSA-N 2 1 377.548 3.805 20 0 GHADMP C[NH+](C)[C@H]1CCc2ccccc2N(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001437584658 1063902531 /nfs/dbraw/zinc/90/25/31/1063902531.db2.gz IDHIFLAFPACLFU-PKTZIBPZSA-N 2 1 391.559 3.808 20 0 GHADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CC4(CO3)CCCCC4)CC2)CC1 ZINC001459610903 1064142265 /nfs/dbraw/zinc/14/22/65/1064142265.db2.gz TVVMHEINCGPXFR-QHCPKHFHSA-N 2 1 391.644 3.854 20 0 GHADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001459610903 1064142273 /nfs/dbraw/zinc/14/22/73/1064142273.db2.gz TVVMHEINCGPXFR-QHCPKHFHSA-N 3 1 391.644 3.854 20 0 GHADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001459610903 1064142279 /nfs/dbraw/zinc/14/22/79/1064142279.db2.gz TVVMHEINCGPXFR-QHCPKHFHSA-N 3 1 391.644 3.854 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001464220340 1064914020 /nfs/dbraw/zinc/91/40/20/1064914020.db2.gz RWQQUFUYAIIQCD-JQVVWYNYSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCC[NH+]2Cc2cccc(F)c2)C1 ZINC001464220340 1064914026 /nfs/dbraw/zinc/91/40/26/1064914026.db2.gz RWQQUFUYAIIQCD-JQVVWYNYSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001464220340 1064914033 /nfs/dbraw/zinc/91/40/33/1064914033.db2.gz RWQQUFUYAIIQCD-JQVVWYNYSA-N 2 1 389.559 3.664 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)C1 ZINC001464220340 1064914035 /nfs/dbraw/zinc/91/40/35/1064914035.db2.gz RWQQUFUYAIIQCD-JQVVWYNYSA-N 2 1 389.559 3.664 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001464553251 1065078658 /nfs/dbraw/zinc/07/86/58/1065078658.db2.gz QOPXBICUSRJOQO-SIKLNZKXSA-N 2 1 399.966 3.971 20 0 GHADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC001464553251 1065078671 /nfs/dbraw/zinc/07/86/71/1065078671.db2.gz QOPXBICUSRJOQO-SIKLNZKXSA-N 2 1 399.966 3.971 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(N4CCCCC4)c3)CC2)CC1 ZINC000847382609 1065185091 /nfs/dbraw/zinc/18/50/91/1065185091.db2.gz UKSYWGHSHMXXBV-UHFFFAOYSA-N 2 1 398.595 3.812 20 0 GHADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)CC1 ZINC001464892546 1065262007 /nfs/dbraw/zinc/26/20/07/1065262007.db2.gz ITCNMRNEGFLZJA-XMMPIXPASA-N 2 1 399.623 3.912 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC001464892546 1065262017 /nfs/dbraw/zinc/26/20/17/1065262017.db2.gz ITCNMRNEGFLZJA-XMMPIXPASA-N 2 1 399.623 3.912 20 0 GHADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC001464892546 1065262027 /nfs/dbraw/zinc/26/20/27/1065262027.db2.gz ITCNMRNEGFLZJA-XMMPIXPASA-N 2 1 399.623 3.912 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)C[C@@H]1C ZINC001465372752 1065573808 /nfs/dbraw/zinc/57/38/08/1065573808.db2.gz CAGDZEPXESYLQH-ILWGZMRPSA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C[C@@H]1C ZINC001465372752 1065573822 /nfs/dbraw/zinc/57/38/22/1065573822.db2.gz CAGDZEPXESYLQH-ILWGZMRPSA-N 2 1 383.580 3.620 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C[C@@H]1C ZINC001465372752 1065573834 /nfs/dbraw/zinc/57/38/34/1065573834.db2.gz CAGDZEPXESYLQH-ILWGZMRPSA-N 2 1 383.580 3.620 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCC[Si](C)(C)C ZINC000847552780 1065591264 /nfs/dbraw/zinc/59/12/64/1065591264.db2.gz IFZJFDDXIBCZQD-UHFFFAOYSA-N 2 1 381.681 3.760 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC001477597692 1078483362 /nfs/dbraw/zinc/48/33/62/1078483362.db2.gz CZXGFWYTKXNYMV-HXUWFJFHSA-N 2 1 392.632 3.842 20 0 GHADMP O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001467575399 1067367054 /nfs/dbraw/zinc/36/70/54/1067367054.db2.gz IJAJAWYHOKGBFC-JOCHJYFZSA-N 2 1 398.595 3.749 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC001467630050 1067391451 /nfs/dbraw/zinc/39/14/51/1067391451.db2.gz KTZYODPJFSNCOG-IBGZPJMESA-N 2 1 380.964 3.508 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC001467985356 1067555075 /nfs/dbraw/zinc/55/50/75/1067555075.db2.gz ADXZEWCTBLOWBI-UHFFFAOYSA-N 2 1 388.600 3.518 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001468015026 1067565844 /nfs/dbraw/zinc/56/58/44/1067565844.db2.gz GNJLITGIBWFBOL-XMSQKQJNSA-N 2 1 398.526 3.517 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001468032317 1067573816 /nfs/dbraw/zinc/57/38/16/1067573816.db2.gz LOCJTBVJJOQHFB-APWZRJJASA-N 2 1 392.975 3.649 20 0 GHADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c2ccccc2)CC1 ZINC001468175332 1067620370 /nfs/dbraw/zinc/62/03/70/1067620370.db2.gz NFNQRTZOAQRWHG-NZQKXSOJSA-N 2 1 398.595 3.585 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001468175649 1067620993 /nfs/dbraw/zinc/62/09/93/1067620993.db2.gz OSGYHFWJFSSMBU-ZRCGQRJVSA-N 2 1 386.584 3.585 20 0 GHADMP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC001468415147 1067724129 /nfs/dbraw/zinc/72/41/29/1067724129.db2.gz WOUIBFIAXSFJTO-HXUWFJFHSA-N 2 1 394.563 3.727 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC001468415147 1067724132 /nfs/dbraw/zinc/72/41/32/1067724132.db2.gz WOUIBFIAXSFJTO-HXUWFJFHSA-N 2 1 394.563 3.727 20 0 GHADMP c1cnn(CCCCC[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)c1 ZINC000849127337 1067739659 /nfs/dbraw/zinc/73/96/59/1067739659.db2.gz SQSIZDCGMWAQER-ZJZGAYNASA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000849127337 1067739665 /nfs/dbraw/zinc/73/96/65/1067739665.db2.gz SQSIZDCGMWAQER-ZJZGAYNASA-N 2 1 378.564 3.896 20 0 GHADMP c1cnn(CCCCC[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000849127337 1067739683 /nfs/dbraw/zinc/73/96/83/1067739683.db2.gz SQSIZDCGMWAQER-ZJZGAYNASA-N 2 1 378.564 3.896 20 0 GHADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001468872192 1067914423 /nfs/dbraw/zinc/91/44/23/1067914423.db2.gz GWFLPOLHVQUKJY-FYYLOGMGSA-N 2 1 398.595 3.920 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001469319549 1068100594 /nfs/dbraw/zinc/10/05/94/1068100594.db2.gz VAOPIDVNULIFAL-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C2CCC2)cc1 ZINC001469784252 1068385224 /nfs/dbraw/zinc/38/52/24/1068385224.db2.gz GBVRGRFXYMOOFM-JOCHJYFZSA-N 2 1 386.584 3.512 20 0 GHADMP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC001470094025 1068568415 /nfs/dbraw/zinc/56/84/15/1068568415.db2.gz JBYVHUUAGAAACY-QTEQDKRBSA-N 2 1 394.563 3.594 20 0 GHADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC001470094025 1068568426 /nfs/dbraw/zinc/56/84/26/1068568426.db2.gz JBYVHUUAGAAACY-QTEQDKRBSA-N 2 1 394.563 3.594 20 0 GHADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccco1 ZINC001470135167 1068590171 /nfs/dbraw/zinc/59/01/71/1068590171.db2.gz WXMSRKSWMOPPLD-QKNQBKEWSA-N 2 1 398.551 3.625 20 0 GHADMP C[C@]12C[NH+](CCC(=O)Nc3ccccc3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001460634845 1069044702 /nfs/dbraw/zinc/04/47/02/1069044702.db2.gz CVHPQWJIZJHDQE-DNQXCXABSA-N 2 1 377.532 3.859 20 0 GHADMP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001478538619 1078909446 /nfs/dbraw/zinc/90/94/46/1078909446.db2.gz RGTGMJBXMZRZMM-QFIPXVFZSA-N 2 1 392.632 3.793 20 0 GHADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC001478599907 1078930675 /nfs/dbraw/zinc/93/06/75/1078930675.db2.gz NIMITFBJXFALGN-NZQKXSOJSA-N 2 1 394.563 3.514 20 0 GHADMP CSc1ccc([C@@H](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC001478700893 1078960194 /nfs/dbraw/zinc/96/01/94/1078960194.db2.gz KKRFDPUCGYEUCU-YLJYHZDGSA-N 2 1 392.613 3.575 20 0 GHADMP CCCCC[N@@H+](CCNC(=O)N1C[C@H](C)[NH+](CC)C[C@H]1C)Cc1ccccc1 ZINC001470719180 1072704452 /nfs/dbraw/zinc/70/44/52/1072704452.db2.gz ULNXGZCSIOPOOM-LEWJYISDSA-N 2 1 388.600 3.803 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C)Cc1ccccc1 ZINC001470719180 1072704462 /nfs/dbraw/zinc/70/44/62/1072704462.db2.gz ULNXGZCSIOPOOM-LEWJYISDSA-N 2 1 388.600 3.803 20 0 GHADMP CCCCC[NH+](CCNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C)Cc1ccccc1 ZINC001470719180 1072704470 /nfs/dbraw/zinc/70/44/70/1072704470.db2.gz ULNXGZCSIOPOOM-LEWJYISDSA-N 2 1 388.600 3.803 20 0 GHADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001470823856 1072756626 /nfs/dbraw/zinc/75/66/26/1072756626.db2.gz NTOBPMHBFQFLPW-FQEVSTJZSA-N 2 1 392.632 3.935 20 0 GHADMP C[NH+](C)CCN(C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC001471104754 1072924174 /nfs/dbraw/zinc/92/41/74/1072924174.db2.gz BACOZSDATYMSBQ-JOCHJYFZSA-N 2 1 386.584 3.557 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001478891488 1079016865 /nfs/dbraw/zinc/01/68/65/1079016865.db2.gz MWSVVHLFMBXZIK-CWKRKGSWSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001478891488 1079016871 /nfs/dbraw/zinc/01/68/71/1079016871.db2.gz MWSVVHLFMBXZIK-CWKRKGSWSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC001478891488 1079016878 /nfs/dbraw/zinc/01/68/78/1079016878.db2.gz MWSVVHLFMBXZIK-CWKRKGSWSA-N 2 1 398.595 3.870 20 0 GHADMP CN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001471376673 1073044575 /nfs/dbraw/zinc/04/45/75/1073044575.db2.gz OGNATWNATMNHTR-XERBYJISSA-N 2 1 398.595 3.699 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CC(C)(C)CC(C)(C)C1 ZINC001478941285 1079033766 /nfs/dbraw/zinc/03/37/66/1079033766.db2.gz GHQHCPRQFUEHGU-FQEVSTJZSA-N 2 1 394.648 3.896 20 0 GHADMP CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001478956659 1079038720 /nfs/dbraw/zinc/03/87/20/1079038720.db2.gz DUARQNJPNUGXLH-BVSLBCMMSA-N 2 1 388.600 3.626 20 0 GHADMP CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001478956659 1079038730 /nfs/dbraw/zinc/03/87/30/1079038730.db2.gz DUARQNJPNUGXLH-BVSLBCMMSA-N 2 1 388.600 3.626 20 0 GHADMP CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCC1 ZINC001472318617 1073418982 /nfs/dbraw/zinc/41/89/82/1073418982.db2.gz SVDPCOOXYDSRDD-BHIFYINESA-N 2 1 383.580 3.668 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC001472547672 1073544004 /nfs/dbraw/zinc/54/40/04/1073544004.db2.gz FSVJNMIQLAOGNZ-MAUKXSAKSA-N 2 1 385.474 3.689 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+]1CCC[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC001472547672 1073544014 /nfs/dbraw/zinc/54/40/14/1073544014.db2.gz FSVJNMIQLAOGNZ-MAUKXSAKSA-N 2 1 385.474 3.689 20 0 GHADMP Cc1nc2sc3c(c2c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1)CCCCC3 ZINC001472829659 1073684535 /nfs/dbraw/zinc/68/45/35/1073684535.db2.gz VROZPKPGCOOOKI-HNNXBMFYSA-N 2 1 389.613 3.953 20 0 GHADMP Cc1nc2sc3c(c2c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1)CCCCC3 ZINC001472829659 1073684537 /nfs/dbraw/zinc/68/45/37/1073684537.db2.gz VROZPKPGCOOOKI-HNNXBMFYSA-N 2 1 389.613 3.953 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC001473170441 1073828858 /nfs/dbraw/zinc/82/88/58/1073828858.db2.gz NKWDHCZZZLIMSW-XUVXKRRUSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC001473170441 1073828866 /nfs/dbraw/zinc/82/88/66/1073828866.db2.gz NKWDHCZZZLIMSW-XUVXKRRUSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC001473170441 1073828874 /nfs/dbraw/zinc/82/88/74/1073828874.db2.gz NKWDHCZZZLIMSW-XUVXKRRUSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC001473170441 1073828880 /nfs/dbraw/zinc/82/88/80/1073828880.db2.gz NKWDHCZZZLIMSW-XUVXKRRUSA-N 2 1 394.987 3.975 20 0 GHADMP CC(C)[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473221637 1073869870 /nfs/dbraw/zinc/86/98/70/1073869870.db2.gz BJXILOQALSMIPO-PXNSSMCTSA-N 2 1 377.960 3.571 20 0 GHADMP CC(C)[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473221637 1073869875 /nfs/dbraw/zinc/86/98/75/1073869875.db2.gz BJXILOQALSMIPO-PXNSSMCTSA-N 2 1 377.960 3.571 20 0 GHADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001473655852 1074070517 /nfs/dbraw/zinc/07/05/17/1074070517.db2.gz DJQLGAGHLGQBDN-SIKLNZKXSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@@H](C[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)(C)C ZINC001473778916 1074137924 /nfs/dbraw/zinc/13/79/24/1074137924.db2.gz HIOKKCXFYKMQPR-KRWDZBQOSA-N 2 1 377.598 3.788 20 0 GHADMP CCC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC001473806183 1074153123 /nfs/dbraw/zinc/15/31/23/1074153123.db2.gz RBUWVJMRGBJJJX-UHFFFAOYSA-N 2 1 383.458 3.984 20 0 GHADMP CCSc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC001473913298 1074201808 /nfs/dbraw/zinc/20/18/08/1074201808.db2.gz PDNXCJJEWCDPCK-IBGZPJMESA-N 2 1 375.607 3.938 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)[C@@H](c2ccccc2)C1 ZINC001473927367 1074206321 /nfs/dbraw/zinc/20/63/21/1074206321.db2.gz JZNGSOZPKVWKEH-HSZRJFAPSA-N 2 1 393.575 3.869 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3scnc3c2)[C@@H](c2ccccc2)C1 ZINC001473927728 1074207017 /nfs/dbraw/zinc/20/70/17/1074207017.db2.gz YRMOCPKJEVFHCF-OAQYLSRUSA-N 2 1 380.561 3.765 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC001474041928 1074245490 /nfs/dbraw/zinc/24/54/90/1074245490.db2.gz DQMJWFLXYFSSQD-MOJGAOKDSA-N 2 1 375.520 3.514 20 0 GHADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(-c3ccccn3)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC001474073413 1074254905 /nfs/dbraw/zinc/25/49/05/1074254905.db2.gz MZWDMIATCPVADV-QUCCMNQESA-N 2 1 375.520 3.862 20 0 GHADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cc(F)ccc2F)n1 ZINC001474132877 1074271846 /nfs/dbraw/zinc/27/18/46/1074271846.db2.gz XRMYPOJNOZJFPH-GOSISDBHSA-N 2 1 396.485 3.977 20 0 GHADMP Cc1c(Br)cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1Br ZINC001474223970 1074299720 /nfs/dbraw/zinc/29/97/20/1074299720.db2.gz CJYAHVZTBMGXQE-SNVBAGLBSA-N 2 1 378.152 3.950 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317475 1074339145 /nfs/dbraw/zinc/33/91/45/1074339145.db2.gz GWHQRQFRTYHXDK-PXNSSMCTSA-N 2 1 375.557 3.873 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317475 1074339148 /nfs/dbraw/zinc/33/91/48/1074339148.db2.gz GWHQRQFRTYHXDK-PXNSSMCTSA-N 2 1 375.557 3.873 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(CNC(=O)OC(C)(C)C)cc2)[C@@H](C)C1 ZINC001474317475 1074339152 /nfs/dbraw/zinc/33/91/52/1074339152.db2.gz GWHQRQFRTYHXDK-PXNSSMCTSA-N 2 1 375.557 3.873 20 0 GHADMP C[NH+]1CCN(C(=O)C2CC[NH+](CC3CCC4(CCCCC4)CC3)CC2)CC1 ZINC001474506571 1074437700 /nfs/dbraw/zinc/43/77/00/1074437700.db2.gz GXTKAJXJQPBVGL-UHFFFAOYSA-N 2 1 375.601 3.613 20 0 GHADMP C[NH+]1CCC([NH2+]CCCCN(OCc2ccccc2)C(=O)OC(C)(C)C)CC1 ZINC001474582728 1074470914 /nfs/dbraw/zinc/47/09/14/1074470914.db2.gz OJQWZSXPWIZVIV-UHFFFAOYSA-N 2 1 391.556 3.819 20 0 GHADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821599049 599641734 /nfs/dbraw/zinc/64/17/34/599641734.db2.gz DFOJVLBIUNNHPW-HXUWFJFHSA-N 2 1 390.535 3.840 20 0 GHADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821599049 599641735 /nfs/dbraw/zinc/64/17/35/599641735.db2.gz DFOJVLBIUNNHPW-HXUWFJFHSA-N 2 1 390.535 3.840 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821599049 599641736 /nfs/dbraw/zinc/64/17/36/599641736.db2.gz DFOJVLBIUNNHPW-HXUWFJFHSA-N 2 1 390.535 3.840 20 0 GHADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000821599049 599641737 /nfs/dbraw/zinc/64/17/37/599641737.db2.gz DFOJVLBIUNNHPW-HXUWFJFHSA-N 2 1 390.535 3.840 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000820702950 606211680 /nfs/dbraw/zinc/21/16/80/606211680.db2.gz BRBMVCWLMMOZAT-OAHLLOKOSA-N 2 1 382.537 3.592 20 0 GHADMP Cc1cc2[nH]ccc2c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164699297 719893836 /nfs/dbraw/zinc/89/38/36/719893836.db2.gz ZHXLEWPQSPZZHM-UHFFFAOYSA-N 2 1 382.533 3.804 20 0 GHADMP Cc1c[nH]c2nc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164843223 720654171 /nfs/dbraw/zinc/65/41/71/720654171.db2.gz VOXSJJJUTUHFOI-IBGZPJMESA-N 2 1 391.519 3.526 20 0 GHADMP Cc1c[nH]c2nc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164843223 720654177 /nfs/dbraw/zinc/65/41/77/720654177.db2.gz VOXSJJJUTUHFOI-IBGZPJMESA-N 2 1 391.519 3.526 20 0 GHADMP Cc1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164843225 720655350 /nfs/dbraw/zinc/65/53/50/720655350.db2.gz VOXSJJJUTUHFOI-LJQANCHMSA-N 2 1 391.519 3.526 20 0 GHADMP Cc1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12 ZINC001164843225 720655358 /nfs/dbraw/zinc/65/53/58/720655358.db2.gz VOXSJJJUTUHFOI-LJQANCHMSA-N 2 1 391.519 3.526 20 0 GHADMP Cc1cc[nH+]c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753440 720867235 /nfs/dbraw/zinc/86/72/35/720867235.db2.gz PMZCLHNUSYAEOI-ISKFKSNPSA-N 2 1 392.547 3.540 20 0 GHADMP Cc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164753440 720867236 /nfs/dbraw/zinc/86/72/36/720867236.db2.gz PMZCLHNUSYAEOI-ISKFKSNPSA-N 2 1 392.547 3.540 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCC1CCCC1 ZINC000431775633 837449746 /nfs/dbraw/zinc/44/97/46/837449746.db2.gz YNFLFUXBKVAVAS-UHFFFAOYSA-N 2 1 392.632 3.795 20 0 GHADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647544020 837475496 /nfs/dbraw/zinc/47/54/96/837475496.db2.gz VOWZNCBEKWYSJS-LSDHHAIUSA-N 2 1 397.357 3.678 20 0 GHADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC12CCOCC2 ZINC000647545483 837480497 /nfs/dbraw/zinc/48/04/97/837480497.db2.gz SUGZCJNFSCNTAP-KRWDZBQOSA-N 2 1 378.944 3.849 20 0 GHADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OC2CCCC2)CC12CCOCC2 ZINC000647545483 837480502 /nfs/dbraw/zinc/48/05/02/837480502.db2.gz SUGZCJNFSCNTAP-KRWDZBQOSA-N 2 1 378.944 3.849 20 0 GHADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000176240112 837528912 /nfs/dbraw/zinc/52/89/12/837528912.db2.gz FILFXCQTYYCKTC-GCJKJVERSA-N 2 1 395.551 3.591 20 0 GHADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000176240094 837529289 /nfs/dbraw/zinc/52/92/89/837529289.db2.gz FILFXCQTYYCKTC-PGRDOPGGSA-N 2 1 395.551 3.591 20 0 GHADMP CCSc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000173182435 837589278 /nfs/dbraw/zinc/58/92/78/837589278.db2.gz QQPSONTXIDECKC-GOSISDBHSA-N 2 1 378.586 3.678 20 0 GHADMP Clc1cccc(CN2CCCC[C@@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655710508 837702906 /nfs/dbraw/zinc/70/29/06/837702906.db2.gz CLGHOZHWKWGBKK-YADHBBJMSA-N 2 1 391.987 3.537 20 0 GHADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655718887 837730944 /nfs/dbraw/zinc/73/09/44/837730944.db2.gz FPBDOHUAJHLNCU-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nc2C)C1 ZINC000655718887 837730955 /nfs/dbraw/zinc/73/09/55/837730955.db2.gz FPBDOHUAJHLNCU-MRXNPFEDSA-N 2 1 391.357 3.765 20 0 GHADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000579699972 834410644 /nfs/dbraw/zinc/41/06/44/834410644.db2.gz AWBUOLNTNVUWDR-AHRSYUTCSA-N 2 1 395.950 3.886 20 0 GHADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000150995324 834412904 /nfs/dbraw/zinc/41/29/04/834412904.db2.gz RJAGJAHZYZWBRU-MRXNPFEDSA-N 2 1 381.511 3.586 20 0 GHADMP CCCOc1c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cccc1OCC ZINC000650705231 834518377 /nfs/dbraw/zinc/51/83/77/834518377.db2.gz ACMRGGKHNQVDOA-DSKINZAPSA-N 2 1 376.541 3.592 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3Br)C2)C1 ZINC000650706367 834536729 /nfs/dbraw/zinc/53/67/29/834536729.db2.gz JLJFSCALJREMST-XGWLTEMNSA-N 2 1 387.749 3.821 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Oc1cccnc1 ZINC000650706426 834537331 /nfs/dbraw/zinc/53/73/31/834537331.db2.gz KIOGEUDWLKMIBU-MZKRTTBSSA-N 2 1 381.520 3.901 20 0 GHADMP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000650722248 834688856 /nfs/dbraw/zinc/68/88/56/834688856.db2.gz NXAPIAHZNAWXNQ-KBAYOESNSA-N 2 1 382.932 3.608 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c(Cl)c2)C1 ZINC000650723158 834695822 /nfs/dbraw/zinc/69/58/22/834695822.db2.gz ICPHZRFSLKPPLF-XOKHGSTOSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c(Cl)c2)C1 ZINC000650723158 834695824 /nfs/dbraw/zinc/69/58/24/834695824.db2.gz ICPHZRFSLKPPLF-XOKHGSTOSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)ccc2Br)C1 ZINC000650723324 834700761 /nfs/dbraw/zinc/70/07/61/834700761.db2.gz LJFZNOKBIOIAIW-HYVNUMGLSA-N 2 1 387.749 3.963 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)ccc2Br)C1 ZINC000650723324 834700768 /nfs/dbraw/zinc/70/07/68/834700768.db2.gz LJFZNOKBIOIAIW-HYVNUMGLSA-N 2 1 387.749 3.963 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724025 834708334 /nfs/dbraw/zinc/70/83/34/834708334.db2.gz XIKGASVGSPHJBM-XJUOHMSHSA-N 2 1 381.520 3.618 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000458801059 834757688 /nfs/dbraw/zinc/75/76/88/834757688.db2.gz WXYYXGGFEFUSAI-QIJUGHKUSA-N 2 1 388.600 3.756 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000141377424 834780329 /nfs/dbraw/zinc/78/03/29/834780329.db2.gz SRXXEVFPWSFVNB-JOCHJYFZSA-N 2 1 382.552 3.549 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000143598048 834798082 /nfs/dbraw/zinc/79/80/82/834798082.db2.gz OVMUAQZAGVMMLW-YKSBVNFPSA-N 2 1 391.559 3.850 20 0 GHADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511265689 834908090 /nfs/dbraw/zinc/90/80/90/834908090.db2.gz MANKUYYMJZXKSF-VQTJNVASSA-N 2 1 380.621 3.649 20 0 GHADMP Clc1cccc(Cl)c1OCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000466915146 834910449 /nfs/dbraw/zinc/91/04/49/834910449.db2.gz GNNXMOMFEZTSHE-UHFFFAOYSA-N 2 1 387.351 3.949 20 0 GHADMP COc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCCC2)cc1 ZINC000431571484 834939085 /nfs/dbraw/zinc/93/90/85/834939085.db2.gz RJCGXAVDXWMXOR-IRLDBZIGSA-N 2 1 387.568 3.603 20 0 GHADMP CC(C)(C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000685441964 835011329 /nfs/dbraw/zinc/01/13/29/835011329.db2.gz OFURPBDHEUMNHT-XMMPIXPASA-N 2 1 377.576 3.856 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+](C)[C@H]4CC[N@@H+](C)C[C@H]4C)cc3)nc12 ZINC000685470410 835034608 /nfs/dbraw/zinc/03/46/08/835034608.db2.gz MQUIAQIRRWBTEK-XXBNENTESA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+](C)[C@H]4CC[N@H+](C)C[C@H]4C)cc3)nc12 ZINC000685470410 835034614 /nfs/dbraw/zinc/03/46/14/835034614.db2.gz MQUIAQIRRWBTEK-XXBNENTESA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+](C)[C@H]4CC[NH+](C)C[C@H]4C)cc3)nc12 ZINC000685470410 835034617 /nfs/dbraw/zinc/03/46/17/835034617.db2.gz MQUIAQIRRWBTEK-XXBNENTESA-N 2 1 392.547 3.994 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+](C)[C@H]4CC[NH+](C)C[C@H]4C)cc3)nc12 ZINC000685470410 835034620 /nfs/dbraw/zinc/03/46/20/835034620.db2.gz MQUIAQIRRWBTEK-XXBNENTESA-N 2 1 392.547 3.994 20 0 GHADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000685632363 835239544 /nfs/dbraw/zinc/23/95/44/835239544.db2.gz GOKFASOMLCLCHN-OAQYLSRUSA-N 2 1 389.547 3.874 20 0 GHADMP COC1CC[NH+](C2(C[NH2+]CCC(=O)Nc3ccc(Cl)cc3)CCCC2)CC1 ZINC000579828369 835240482 /nfs/dbraw/zinc/24/04/82/835240482.db2.gz SMECIXQHKZTIEP-UHFFFAOYSA-N 2 1 393.959 3.682 20 0 GHADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCCn4nccc43)cc2)C[C@H]1C ZINC000657939297 835274951 /nfs/dbraw/zinc/27/49/51/835274951.db2.gz XJXXIKFWTKUMSS-JQVVWYNYSA-N 2 1 382.552 3.517 20 0 GHADMP COc1cc2cc[nH+]c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c2cc1F ZINC000583956180 835292294 /nfs/dbraw/zinc/29/22/94/835292294.db2.gz WWEOZNGKILOYQD-SFHVURJKSA-N 2 1 381.451 3.561 20 0 GHADMP COc1cc2cc[nH+]c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c2cc1F ZINC000583956180 835292303 /nfs/dbraw/zinc/29/23/03/835292303.db2.gz WWEOZNGKILOYQD-SFHVURJKSA-N 2 1 381.451 3.561 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658141310 835452753 /nfs/dbraw/zinc/45/27/53/835452753.db2.gz WQDYATRYTGLEGP-JLEAQPBLSA-N 2 1 380.532 3.544 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(OC(F)F)cc1 ZINC000658142198 835454061 /nfs/dbraw/zinc/45/40/61/835454061.db2.gz DMBWYDZFJFSNHP-BEFAXECRSA-N 2 1 376.447 3.705 20 0 GHADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C2CC2)c(F)c1 ZINC000658141068 835467397 /nfs/dbraw/zinc/46/73/97/835467397.db2.gz VZUHYJZZVYOUFW-CVDCTZTESA-N 2 1 384.495 3.642 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000658319321 835572826 /nfs/dbraw/zinc/57/28/26/835572826.db2.gz ZMHVDRUQUMFTNX-UGKGYDQZSA-N 2 1 379.548 3.913 20 0 GHADMP CCc1cc(N2CCC([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ncn1 ZINC000274886532 835781963 /nfs/dbraw/zinc/78/19/63/835781963.db2.gz IQJLKGJLOYFGQD-CTNGQTDRSA-N 2 1 393.579 3.508 20 0 GHADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000109348068 835837299 /nfs/dbraw/zinc/83/72/99/835837299.db2.gz NBEXZRXFDBXHPP-NRFANRHFSA-N 2 1 389.559 3.666 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000080075547 836222656 /nfs/dbraw/zinc/22/26/56/836222656.db2.gz FILJMJYWXDGMCV-QNGMFEMESA-N 2 1 378.605 3.737 20 0 GHADMP C[N@H+]1CCC[C@H]([NH2+]CC2(N(Cc3ccccc3)Cc3ccccc3)COC2)CC1 ZINC000705664963 836352763 /nfs/dbraw/zinc/35/27/63/836352763.db2.gz YQUVLQOJVSFDSR-DEOSSOPVSA-N 2 1 393.575 3.532 20 0 GHADMP COc1ccc([C@@H](CO)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000414169277 836386040 /nfs/dbraw/zinc/38/60/40/836386040.db2.gz BAIDWSCWHMKJIM-ODAXIHTASA-N 2 1 380.532 3.556 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)C[C@H](C)O1 ZINC000170780009 836667542 /nfs/dbraw/zinc/66/75/42/836667542.db2.gz IZJALIFCDLEIAF-HOTGVXAUSA-N 2 1 390.959 3.548 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248886392 836697684 /nfs/dbraw/zinc/69/76/84/836697684.db2.gz QKORJNYZCZGLLA-VQTJNVASSA-N 2 1 389.902 3.892 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248886392 836697692 /nfs/dbraw/zinc/69/76/92/836697692.db2.gz QKORJNYZCZGLLA-VQTJNVASSA-N 2 1 389.902 3.892 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(SCC(F)F)cc1 ZINC000124331052 836705522 /nfs/dbraw/zinc/70/55/22/836705522.db2.gz HZEYQNCPXKDUAM-MRXNPFEDSA-N 2 1 385.568 3.968 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414281916 836900921 /nfs/dbraw/zinc/90/09/21/836900921.db2.gz GYFYJCWGKQEYCA-MRXNPFEDSA-N 2 1 392.590 3.816 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414281916 836900928 /nfs/dbraw/zinc/90/09/28/836900928.db2.gz GYFYJCWGKQEYCA-MRXNPFEDSA-N 2 1 392.590 3.816 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175646035 836925537 /nfs/dbraw/zinc/92/55/37/836925537.db2.gz FGCBQCJBBVGXQO-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC000175646035 836925544 /nfs/dbraw/zinc/92/55/44/836925544.db2.gz FGCBQCJBBVGXQO-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+]1Cc1ccccc1 ZINC000175646035 836925550 /nfs/dbraw/zinc/92/55/50/836925550.db2.gz FGCBQCJBBVGXQO-IRLDBZIGSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000511394148 836927892 /nfs/dbraw/zinc/92/78/92/836927892.db2.gz BECRSWVLEUZEEV-BVYCBKJFSA-N 2 1 394.003 3.956 20 0 GHADMP Cc1c2cccc(Cl)c2sc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000549749884 844217991 /nfs/dbraw/zinc/21/79/91/844217991.db2.gz PCQBYHWAXHBNAB-UHFFFAOYSA-N 2 1 393.984 3.895 20 0 GHADMP Clc1ccc2c(NCCCC[NH+]3CCN(c4ncccn4)CC3)cc[nH+]c2c1 ZINC000511394941 836945492 /nfs/dbraw/zinc/94/54/92/836945492.db2.gz CCDQOZMKSSNEDA-UHFFFAOYSA-N 2 1 396.926 3.693 20 0 GHADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000119900382 836967296 /nfs/dbraw/zinc/96/72/96/836967296.db2.gz VDQFYRKUYZTFNH-NCZKRNLISA-N 2 1 390.881 3.651 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000512543713 844231732 /nfs/dbraw/zinc/23/17/32/844231732.db2.gz AZWJRTILEHVUJE-NWSQWKLXSA-N 2 1 379.548 3.706 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000512543713 844231738 /nfs/dbraw/zinc/23/17/38/844231738.db2.gz AZWJRTILEHVUJE-NWSQWKLXSA-N 2 1 379.548 3.706 20 0 GHADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1NC(C)=O ZINC000547828556 837162565 /nfs/dbraw/zinc/16/25/65/837162565.db2.gz ZTQCBMFWEIWQNH-UWJYYQICSA-N 2 1 381.520 3.654 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000549770210 844247998 /nfs/dbraw/zinc/24/79/98/844247998.db2.gz QOSMJEMNSSBQQX-DNQXCXABSA-N 2 1 393.575 3.578 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000549770210 844248003 /nfs/dbraw/zinc/24/80/03/844248003.db2.gz QOSMJEMNSSBQQX-DNQXCXABSA-N 2 1 393.575 3.578 20 0 GHADMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000549770210 844248013 /nfs/dbraw/zinc/24/80/13/844248013.db2.gz QOSMJEMNSSBQQX-DNQXCXABSA-N 2 1 393.575 3.578 20 0 GHADMP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001167283655 837311819 /nfs/dbraw/zinc/31/18/19/837311819.db2.gz KEMCFSANMRKCLI-DEOSSOPVSA-N 2 1 399.623 3.815 20 0 GHADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431757426 837355924 /nfs/dbraw/zinc/35/59/24/837355924.db2.gz WLBLFPFMVWJASE-JOCHJYFZSA-N 2 1 387.543 3.703 20 0 GHADMP Fc1ccc(OCc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cc1 ZINC000655779495 837854863 /nfs/dbraw/zinc/85/48/63/837854863.db2.gz MKPKXKRVUVVTCR-JOCHJYFZSA-N 2 1 384.495 3.748 20 0 GHADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000510298798 838032599 /nfs/dbraw/zinc/03/25/99/838032599.db2.gz OFPPUDIBYHBPPF-UHFFFAOYSA-N 2 1 391.515 3.673 20 0 GHADMP C[C@@H]1[C@H](N2CCCC2)CC[NH+]1CCCCCC[N@@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000376557051 838072484 /nfs/dbraw/zinc/07/24/84/838072484.db2.gz HZUNNOYRYZIZMF-MOUTVQLLSA-N 2 1 390.660 3.664 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCCCCC[N@@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000376557051 838072500 /nfs/dbraw/zinc/07/25/00/838072500.db2.gz HZUNNOYRYZIZMF-MOUTVQLLSA-N 2 1 390.660 3.664 20 0 GHADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCCCCC[N@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000376557051 838072515 /nfs/dbraw/zinc/07/25/15/838072515.db2.gz HZUNNOYRYZIZMF-MOUTVQLLSA-N 2 1 390.660 3.664 20 0 GHADMP FC(F)(F)Cc1noc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)n1 ZINC000377935486 838183405 /nfs/dbraw/zinc/18/34/05/838183405.db2.gz BHIFDLSNGUKLQO-JKSUJKDBSA-N 2 1 380.414 3.558 20 0 GHADMP C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC[N@H+]1Cc1ccccc1 ZINC000659287426 838207453 /nfs/dbraw/zinc/20/74/53/838207453.db2.gz OHQYJNIVFQZNPF-LEOXJPRUSA-N 2 1 391.559 3.848 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659285335 838210590 /nfs/dbraw/zinc/21/05/90/838210590.db2.gz MKMVVGNTFRHPJH-NFBKMPQASA-N 2 1 377.532 3.592 20 0 GHADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000415899902 838246594 /nfs/dbraw/zinc/24/65/94/838246594.db2.gz KVCUEAALLGMUOO-UHFFFAOYSA-N 2 1 380.536 3.879 20 0 GHADMP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000424328947 838257050 /nfs/dbraw/zinc/25/70/50/838257050.db2.gz QBVYXPKBMDDFMA-DHIUTWEWSA-N 2 1 379.548 3.551 20 0 GHADMP C[N@H+]1CC[C@@H]([NH2+]CCNC(=O)CCCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000424328947 838257058 /nfs/dbraw/zinc/25/70/58/838257058.db2.gz QBVYXPKBMDDFMA-DHIUTWEWSA-N 2 1 379.548 3.551 20 0 GHADMP CC[NH2+]Cc1ccccc1NC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415919582 838270695 /nfs/dbraw/zinc/27/06/95/838270695.db2.gz NLXZUMXKZUSTDF-NRFANRHFSA-N 2 1 380.536 3.924 20 0 GHADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[N@H+]1Cc1ccccc1 ZINC000659319243 838278243 /nfs/dbraw/zinc/27/82/43/838278243.db2.gz LLUOWCCTWUDHIO-XQFWAAQXSA-N 2 1 377.532 3.638 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)cc1)C(C)C ZINC000110165621 844311637 /nfs/dbraw/zinc/31/16/37/844311637.db2.gz QGTTWDQTGAPBRJ-QHCPKHFHSA-N 2 1 397.563 3.958 20 0 GHADMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1)C(C)C ZINC000110166967 844312900 /nfs/dbraw/zinc/31/29/00/844312900.db2.gz RTVJITGQEITOEN-QFIPXVFZSA-N 2 1 397.563 3.958 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1)C(C)C ZINC000110166967 844312912 /nfs/dbraw/zinc/31/29/12/844312912.db2.gz RTVJITGQEITOEN-QFIPXVFZSA-N 2 1 397.563 3.958 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415953658 838316077 /nfs/dbraw/zinc/31/60/77/838316077.db2.gz JERMNNBHITWHKD-QGZVFWFLSA-N 2 1 396.510 3.600 20 0 GHADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000659384031 838342570 /nfs/dbraw/zinc/34/25/70/838342570.db2.gz XYQRGYCPUIDQPX-PGRDOPGGSA-N 2 1 377.532 3.738 20 0 GHADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659383956 838342709 /nfs/dbraw/zinc/34/27/09/838342709.db2.gz WWDKSMZHZMPMIU-FDFHNCONSA-N 2 1 383.580 3.703 20 0 GHADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000659380225 838344418 /nfs/dbraw/zinc/34/44/18/838344418.db2.gz BGDCJBCIFDXVIW-GGAORHGYSA-N 2 1 389.543 3.640 20 0 GHADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3(C[NH+](C)C)CCCCC3)c2)C[C@@H](C)O1 ZINC000426870143 844328946 /nfs/dbraw/zinc/32/89/46/844328946.db2.gz ADIJAHPNIOUHGJ-RTBURBONSA-N 2 1 387.568 3.746 20 0 GHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)CC3 ZINC000123417016 838521756 /nfs/dbraw/zinc/52/17/56/838521756.db2.gz CGCUXYKUPHQAFE-SFHVURJKSA-N 2 1 397.563 3.659 20 0 GHADMP Cn1c2ccc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cc2sc1=O ZINC000584561731 838632192 /nfs/dbraw/zinc/63/21/92/838632192.db2.gz WWLMULLZPRYZGL-VQTJNVASSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cc2sc1=O ZINC000584561731 838632196 /nfs/dbraw/zinc/63/21/96/838632196.db2.gz WWLMULLZPRYZGL-VQTJNVASSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc2sc1=O ZINC000584561731 838632198 /nfs/dbraw/zinc/63/21/98/838632198.db2.gz WWLMULLZPRYZGL-VQTJNVASSA-N 2 1 393.556 3.554 20 0 GHADMP Cn1c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc2sc1=O ZINC000584561731 838632202 /nfs/dbraw/zinc/63/22/02/838632202.db2.gz WWLMULLZPRYZGL-VQTJNVASSA-N 2 1 393.556 3.554 20 0 GHADMP Brc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000228314734 838969851 /nfs/dbraw/zinc/96/98/51/838969851.db2.gz JBDANMPNTATOGZ-CABCVRRESA-N 2 1 388.147 3.928 20 0 GHADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CC12CCOCC2 ZINC000580192399 839027307 /nfs/dbraw/zinc/02/73/07/839027307.db2.gz MYSUVGLJBOGDFE-HXUWFJFHSA-N 2 1 384.495 3.592 20 0 GHADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415012058 839056034 /nfs/dbraw/zinc/05/60/34/839056034.db2.gz WYFMTUVLHLXUSL-GHTZIAJQSA-N 2 1 394.494 3.503 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415036252 839084915 /nfs/dbraw/zinc/08/49/15/839084915.db2.gz FODHBYHDECWBTM-ICSRJNTNSA-N 2 1 392.469 3.914 20 0 GHADMP FC(F)(F)c1ccc(Cn2cc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cn2)cc1 ZINC000415036252 839084922 /nfs/dbraw/zinc/08/49/22/839084922.db2.gz FODHBYHDECWBTM-ICSRJNTNSA-N 2 1 392.469 3.914 20 0 GHADMP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1OCC(F)(F)F ZINC000415032864 839095234 /nfs/dbraw/zinc/09/52/34/839095234.db2.gz BCMDWERARWJTTD-SJORKVTESA-N 2 1 386.458 3.990 20 0 GHADMP O=C(NCC[NH2+]C1CCCCCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415072910 839170359 /nfs/dbraw/zinc/17/03/59/839170359.db2.gz XIPUCUAPPHUYIC-UHFFFAOYSA-N 2 1 390.597 3.669 20 0 GHADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000124757264 839196335 /nfs/dbraw/zinc/19/63/35/839196335.db2.gz IKEDOICGFRRWLE-DENIHFKCSA-N 2 1 389.559 3.506 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000415105103 839201304 /nfs/dbraw/zinc/20/13/04/839201304.db2.gz HTTDDDMCCPTWEG-QFIPXVFZSA-N 2 1 390.531 3.706 20 0 GHADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000415105103 839201311 /nfs/dbraw/zinc/20/13/11/839201311.db2.gz HTTDDDMCCPTWEG-QFIPXVFZSA-N 2 1 390.531 3.706 20 0 GHADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415100926 839206301 /nfs/dbraw/zinc/20/63/01/839206301.db2.gz AWGGXDAGGIJHTM-LJQANCHMSA-N 2 1 379.508 3.514 20 0 GHADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000415107789 839219107 /nfs/dbraw/zinc/21/91/07/839219107.db2.gz LQTHDIJNYZKJOD-KBPBESRZSA-N 2 1 393.778 3.882 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc(OCC4CCCCC4)c3)C2)nn1 ZINC000415131443 839256735 /nfs/dbraw/zinc/25/67/35/839256735.db2.gz SGYHVRBFATUMBR-NRFANRHFSA-N 2 1 383.540 3.533 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Cl)c(Br)c3)CC2)C1 ZINC000415130737 839259004 /nfs/dbraw/zinc/25/90/04/839259004.db2.gz XMKCLRXDGFQUGA-RHSMWYFYSA-N 2 1 387.749 3.821 20 0 GHADMP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000580499315 839694738 /nfs/dbraw/zinc/69/47/38/839694738.db2.gz WMCIQKJZFVSQBG-CCDWMCETSA-N 2 1 386.543 3.932 20 0 GHADMP Cc1ccc(-c2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)s2)cc1C ZINC000656255767 839853823 /nfs/dbraw/zinc/85/38/23/839853823.db2.gz OYHWUOKMWJUDPN-UGKGYDQZSA-N 2 1 398.620 3.885 20 0 GHADMP Cc1ccc(-c2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)s2)cc1C ZINC000656255767 839853830 /nfs/dbraw/zinc/85/38/30/839853830.db2.gz OYHWUOKMWJUDPN-UGKGYDQZSA-N 2 1 398.620 3.885 20 0 GHADMP COC(=O)c1cnc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)s1 ZINC000894170458 844479791 /nfs/dbraw/zinc/47/97/91/844479791.db2.gz UHQVEWDFNBEKNU-UHFFFAOYSA-N 2 1 395.528 3.948 20 0 GHADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843893 840073465 /nfs/dbraw/zinc/07/34/65/840073465.db2.gz IQHDKTNUCJXXNE-SFHVURJKSA-N 2 1 390.531 3.828 20 0 GHADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843893 840073471 /nfs/dbraw/zinc/07/34/71/840073471.db2.gz IQHDKTNUCJXXNE-SFHVURJKSA-N 2 1 390.531 3.828 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000580740848 840097093 /nfs/dbraw/zinc/09/70/93/840097093.db2.gz FTLMQJFPWVMODH-QGZVFWFLSA-N 2 1 380.458 3.770 20 0 GHADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000580740848 840097100 /nfs/dbraw/zinc/09/71/00/840097100.db2.gz FTLMQJFPWVMODH-QGZVFWFLSA-N 2 1 380.458 3.770 20 0 GHADMP C[C@@H](CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473010266 840101016 /nfs/dbraw/zinc/10/10/16/840101016.db2.gz OOKIPEPCJWOUAY-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H](CCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473010264 840101104 /nfs/dbraw/zinc/10/11/04/840101104.db2.gz OOKIPEPCJWOUAY-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1cccc2ccccc21 ZINC000580829278 840298887 /nfs/dbraw/zinc/29/88/87/840298887.db2.gz HHYHSCDPLUNARE-GGAORHGYSA-N 2 1 390.527 3.691 20 0 GHADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418493309 840327186 /nfs/dbraw/zinc/32/71/86/840327186.db2.gz QMKMGIIBQVHWML-QRVBRYPASA-N 2 1 380.536 3.511 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000416972171 840327166 /nfs/dbraw/zinc/32/71/66/840327166.db2.gz IACXFEBKRLCVFA-NWSQWKLXSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)cc2)C1 ZINC000416974086 840330254 /nfs/dbraw/zinc/33/02/54/840330254.db2.gz WEHCHHUUDZYUMN-WMZHIEFXSA-N 2 1 398.595 3.592 20 0 GHADMP C[C@@H](NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000417221428 840614602 /nfs/dbraw/zinc/61/46/02/840614602.db2.gz OSLXQXKVJAGWQZ-MOPGFXCFSA-N 2 1 386.584 3.638 20 0 GHADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000581094689 840692348 /nfs/dbraw/zinc/69/23/48/840692348.db2.gz PNQPQLFQFPFIBK-HNNXBMFYSA-N 2 1 379.451 3.783 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417837869 841218310 /nfs/dbraw/zinc/21/83/10/841218310.db2.gz MRPXJVWPQUJFQC-QTGUNEKASA-N 2 1 394.563 3.601 20 0 GHADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000430581617 841241672 /nfs/dbraw/zinc/24/16/72/841241672.db2.gz USVXWORBBKHXST-MRXNPFEDSA-N 2 1 378.586 3.519 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1Sc2ccccc2NC1=O ZINC000660307443 841259882 /nfs/dbraw/zinc/25/98/82/841259882.db2.gz XXDUGHOJWJDERP-ZWCUEREDSA-N 2 1 395.572 3.990 20 0 GHADMP Cn1ncc(NC(=O)OC(C)(C)C)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000893330456 841394691 /nfs/dbraw/zinc/39/46/91/841394691.db2.gz JKGUWAJSOGKBHY-UHFFFAOYSA-N 2 1 399.539 3.653 20 0 GHADMP Cc1cc(N2CCC[C@@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)C2)n(C)n1 ZINC000581444019 841402997 /nfs/dbraw/zinc/40/29/97/841402997.db2.gz ZHAFYOPDZXKIJB-OOMBGRCJSA-N 2 1 395.595 3.730 20 0 GHADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1 ZINC000418042413 841425806 /nfs/dbraw/zinc/42/58/06/841425806.db2.gz LOZQPHFGGOMFEK-JPYJTQIMSA-N 2 1 380.536 3.560 20 0 GHADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(-c2ccccc2)cn1 ZINC000651755337 841512728 /nfs/dbraw/zinc/51/27/28/841512728.db2.gz IYDWPASNILOASE-GOSISDBHSA-N 2 1 376.504 3.935 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3CSC)CC2)CC1 ZINC000581498127 841543343 /nfs/dbraw/zinc/54/33/43/841543343.db2.gz PFBCASWUBMKINF-UHFFFAOYSA-N 2 1 375.582 3.684 20 0 GHADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662788503 841629891 /nfs/dbraw/zinc/62/98/91/841629891.db2.gz KHNQFVDSHDAJLF-SFHVURJKSA-N 2 1 397.485 3.516 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662824321 841705809 /nfs/dbraw/zinc/70/58/09/841705809.db2.gz BRBHEWPNGBTDFM-MRXNPFEDSA-N 2 1 375.582 3.511 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000090192737 841733121 /nfs/dbraw/zinc/73/31/21/841733121.db2.gz QGFDRDDGHGZAGE-OAQYLSRUSA-N 2 1 380.536 3.652 20 0 GHADMP C[NH+](C)CC(=O)Nc1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000090192737 841733130 /nfs/dbraw/zinc/73/31/30/841733130.db2.gz QGFDRDDGHGZAGE-OAQYLSRUSA-N 2 1 380.536 3.652 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC000581616354 841787054 /nfs/dbraw/zinc/78/70/54/841787054.db2.gz JYRUZHSDNXOMJR-LJQANCHMSA-N 2 1 397.485 3.603 20 0 GHADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001167473971 841791807 /nfs/dbraw/zinc/79/18/07/841791807.db2.gz ODLJFMGHMSILJS-SFTDATJTSA-N 2 1 383.536 3.924 20 0 GHADMP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782986 841913843 /nfs/dbraw/zinc/91/38/43/841913843.db2.gz KSNRTQOZFWOOPG-KRWDZBQOSA-N 2 1 385.533 3.750 20 0 GHADMP CCOC[C@@H]1C[N@H+]([C@H](C)CCC[NH+](CC)CC)Cc2cn(CC3CC3)nc21 ZINC001167823382 842002416 /nfs/dbraw/zinc/00/24/16/842002416.db2.gz KYVGRROIIFEEHW-NQIIRXRSSA-N 2 1 376.589 3.739 20 0 GHADMP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)c1 ZINC000166289371 842010179 /nfs/dbraw/zinc/01/01/79/842010179.db2.gz UCCGLODHLLXCPZ-RTBURBONSA-N 2 1 382.470 3.970 20 0 GHADMP Brc1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166443631 842039943 /nfs/dbraw/zinc/03/99/43/842039943.db2.gz XMDWGGXHFVNVAG-RBUKOAKNSA-N 2 1 393.369 3.714 20 0 GHADMP Fc1ccc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)cc1 ZINC000154979631 842095449 /nfs/dbraw/zinc/09/54/49/842095449.db2.gz KCNDLTCRIXUMEV-HSZRJFAPSA-N 2 1 389.559 3.586 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC000684410390 842125439 /nfs/dbraw/zinc/12/54/39/842125439.db2.gz UVOCNQAOZXMGPX-DEOSSOPVSA-N 3 1 393.575 3.773 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](CNCc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC000684410390 842125443 /nfs/dbraw/zinc/12/54/43/842125443.db2.gz UVOCNQAOZXMGPX-DEOSSOPVSA-N 2 1 393.575 3.773 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H](CNCc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC000684410390 842125446 /nfs/dbraw/zinc/12/54/46/842125446.db2.gz UVOCNQAOZXMGPX-DEOSSOPVSA-N 2 1 393.575 3.773 20 0 GHADMP c1ccc(CN2CC[C@@H](C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)cc1 ZINC000684410390 842125448 /nfs/dbraw/zinc/12/54/48/842125448.db2.gz UVOCNQAOZXMGPX-DEOSSOPVSA-N 2 1 393.575 3.773 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH3+])cc1F)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000652276480 842133346 /nfs/dbraw/zinc/13/33/46/842133346.db2.gz XOPALXAWOCCEOG-DYESRHJHSA-N 2 1 398.526 3.651 20 0 GHADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CCCO1 ZINC000432362613 842178628 /nfs/dbraw/zinc/17/86/28/842178628.db2.gz NDDRQPJKAZMMPU-FQEVSTJZSA-N 2 1 396.579 3.816 20 0 GHADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CCCO1 ZINC000432362613 842178629 /nfs/dbraw/zinc/17/86/29/842178629.db2.gz NDDRQPJKAZMMPU-FQEVSTJZSA-N 2 1 396.579 3.816 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1ccn2ccnc2c1 ZINC000177923600 861284040 /nfs/dbraw/zinc/28/40/40/861284040.db2.gz DAZDAYYPLNEHLC-GOSISDBHSA-N 2 1 391.519 3.708 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)Nc4ccccc4)cc3)C2)C1 ZINC000652347311 842325305 /nfs/dbraw/zinc/32/53/05/842325305.db2.gz YGWWTBHGINOKNV-MQSCRBSSSA-N 2 1 393.531 3.657 20 0 GHADMP C[C@@H]1CCC[C@H](CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000430683549 842531157 /nfs/dbraw/zinc/53/11/57/842531157.db2.gz ZXWYJFNJHNVRBZ-CTNGQTDRSA-N 2 1 377.617 3.858 20 0 GHADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNCc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512116816 842546756 /nfs/dbraw/zinc/54/67/56/842546756.db2.gz PVSUEWOOKIQNSO-ROUUACIJSA-N 2 1 386.609 3.972 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248570491 842688320 /nfs/dbraw/zinc/68/83/20/842688320.db2.gz LYLHXXUQURKLLR-ACRUOGEOSA-N 2 1 396.579 3.873 20 0 GHADMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248570491 842688324 /nfs/dbraw/zinc/68/83/24/842688324.db2.gz LYLHXXUQURKLLR-ACRUOGEOSA-N 2 1 396.579 3.873 20 0 GHADMP COc1cc2cc[nH+]c(NC3CCN(c4cc(C)[nH+]c(C)n4)CC3)c2cc1OC ZINC000663696221 842754326 /nfs/dbraw/zinc/75/43/26/842754326.db2.gz QHGDVEPTNFGRBF-UHFFFAOYSA-N 2 1 393.491 3.740 20 0 GHADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000652611364 842836314 /nfs/dbraw/zinc/83/63/14/842836314.db2.gz GHYKJLLXOZYTAG-KZNAEPCWSA-N 2 1 378.520 3.805 20 0 GHADMP COc1cccc(C(=O)N2CCC([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)CC2)c1 ZINC001167860107 842854409 /nfs/dbraw/zinc/85/44/09/842854409.db2.gz KBBDPSKZFOUKFJ-QFIPXVFZSA-N 2 1 399.579 3.544 20 0 GHADMP COc1cccc(C(=O)N2CCC([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)CC2)c1 ZINC001167860107 842854420 /nfs/dbraw/zinc/85/44/20/842854420.db2.gz KBBDPSKZFOUKFJ-QFIPXVFZSA-N 2 1 399.579 3.544 20 0 GHADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000430721692 842884360 /nfs/dbraw/zinc/88/43/60/842884360.db2.gz DAGJREFANWLEML-KRIYCRJKSA-N 2 1 389.971 3.731 20 0 GHADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294097 843085239 /nfs/dbraw/zinc/08/52/39/843085239.db2.gz AWNVXCUWRRYYSD-FCEWJHQRSA-N 2 1 377.960 3.617 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000512203520 843086484 /nfs/dbraw/zinc/08/64/84/843086484.db2.gz PBAVJBNBHLOJAR-OAQYLSRUSA-N 2 1 385.577 3.854 20 0 GHADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000512203520 843086494 /nfs/dbraw/zinc/08/64/94/843086494.db2.gz PBAVJBNBHLOJAR-OAQYLSRUSA-N 2 1 385.577 3.854 20 0 GHADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC/C=C/c2ccc(Br)cc2)CCO1 ZINC000662319320 843138197 /nfs/dbraw/zinc/13/81/97/843138197.db2.gz HHBJRCAYWREGDS-NAASZUNDSA-N 2 1 381.358 3.895 20 0 GHADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662342729 843152146 /nfs/dbraw/zinc/15/21/46/843152146.db2.gz JTMPTSOKJSIVLF-QGZVFWFLSA-N 2 1 389.952 3.614 20 0 GHADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCc3ccccc3C2)cc1 ZINC000510697065 843214310 /nfs/dbraw/zinc/21/43/10/843214310.db2.gz BVCORIDYPIHMIU-UHFFFAOYSA-N 2 1 379.548 3.707 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000510697065 843214315 /nfs/dbraw/zinc/21/43/15/843214315.db2.gz BVCORIDYPIHMIU-UHFFFAOYSA-N 2 1 379.548 3.707 20 0 GHADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000510697065 843214342 /nfs/dbraw/zinc/21/43/42/843214342.db2.gz BVCORIDYPIHMIU-UHFFFAOYSA-N 2 1 379.548 3.707 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccccc3-c3ccnn3C)CC2)oc1C ZINC000510698085 843217690 /nfs/dbraw/zinc/21/76/90/843217690.db2.gz JDVQPMKEWRACNA-UHFFFAOYSA-N 2 1 393.535 3.694 20 0 GHADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512256858 843244824 /nfs/dbraw/zinc/24/48/24/843244824.db2.gz CIGNIMBEMJKHIT-CTVDGRRTSA-N 2 1 383.580 3.762 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000178705778 861399702 /nfs/dbraw/zinc/39/97/02/861399702.db2.gz KNQWRFIKRCVZOX-UONOGXRCSA-N 2 1 393.329 3.597 20 0 GHADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)Cc1ccc(F)cc1 ZINC000663368642 843330999 /nfs/dbraw/zinc/33/09/99/843330999.db2.gz LWFQWBHRKNQSJP-GMAHTHKFSA-N 2 1 382.523 3.621 20 0 GHADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000662503694 843349447 /nfs/dbraw/zinc/34/94/47/843349447.db2.gz VPSCETPHEYKMIR-UYAOXDASSA-N 2 1 395.572 3.521 20 0 GHADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000068375114 843440774 /nfs/dbraw/zinc/44/07/74/843440774.db2.gz FKAXFLBQDFFSHF-UHFFFAOYSA-N 2 1 377.532 3.631 20 0 GHADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000418648280 843502110 /nfs/dbraw/zinc/50/21/10/843502110.db2.gz HNESRLMNLKBQEE-XQBPLPMBSA-N 2 1 386.584 3.545 20 0 GHADMP [NH3+]CCC[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000418665011 843518366 /nfs/dbraw/zinc/51/83/66/843518366.db2.gz DHVOFZYNTRKODJ-QFIPXVFZSA-N 2 1 386.584 3.764 20 0 GHADMP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)c1ccc(F)cc1F ZINC000662702305 843535579 /nfs/dbraw/zinc/53/55/79/843535579.db2.gz YHHWUKPSGBVDFA-NRFANRHFSA-N 2 1 387.474 3.657 20 0 GHADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663439475 843582506 /nfs/dbraw/zinc/58/25/06/843582506.db2.gz PCNTYLJNHXKUSP-KRWDZBQOSA-N 2 1 399.398 3.813 20 0 GHADMP CCCCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)c1ccccc1 ZINC000604209313 843652830 /nfs/dbraw/zinc/65/28/30/843652830.db2.gz RKHYIHLGWGKPCA-TZIWHRDSSA-N 2 1 386.584 3.728 20 0 GHADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466844 843665015 /nfs/dbraw/zinc/66/50/15/843665015.db2.gz ALEATDDTZJDNDK-WBVHZDCISA-N 2 1 393.959 3.777 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512403507 843704586 /nfs/dbraw/zinc/70/45/86/843704586.db2.gz DPIMDHMVEOOGFL-AKIFATBCSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000512403509 843704906 /nfs/dbraw/zinc/70/49/06/843704906.db2.gz DPIMDHMVEOOGFL-PUHATCMVSA-N 2 1 398.595 3.557 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](Cc4cccc5cccnc54)CC3)C2)cc1 ZINC000512409193 843716941 /nfs/dbraw/zinc/71/69/41/843716941.db2.gz LZWZLOXIVMESLZ-XMMPIXPASA-N 2 1 386.543 3.627 20 0 GHADMP C[C@H](NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182402489 843736606 /nfs/dbraw/zinc/73/66/06/843736606.db2.gz IHBAADILYYUOOS-WPYKKVEZSA-N 2 1 398.595 3.776 20 0 GHADMP C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182408489 843738011 /nfs/dbraw/zinc/73/80/11/843738011.db2.gz JBLWWUHDJYFIGU-HSALFYBXSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182408489 843738020 /nfs/dbraw/zinc/73/80/20/843738020.db2.gz JBLWWUHDJYFIGU-HSALFYBXSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182408489 843738030 /nfs/dbraw/zinc/73/80/30/843738030.db2.gz JBLWWUHDJYFIGU-HSALFYBXSA-N 2 1 378.605 3.593 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)cc2)C1 ZINC000500696107 843846750 /nfs/dbraw/zinc/84/67/50/843846750.db2.gz FRWNVQHXBHOXSJ-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)C1 ZINC000500696107 843846752 /nfs/dbraw/zinc/84/67/52/843846752.db2.gz FRWNVQHXBHOXSJ-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cc2)C1 ZINC000500696107 843846756 /nfs/dbraw/zinc/84/67/56/843846756.db2.gz FRWNVQHXBHOXSJ-JFSTXAPLSA-N 2 1 398.595 3.591 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000179078903 861466264 /nfs/dbraw/zinc/46/62/64/861466264.db2.gz VQFQKJFXHLRQTD-GOTSBHOMSA-N 2 1 392.547 3.527 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000237590419 843956962 /nfs/dbraw/zinc/95/69/62/843956962.db2.gz NMHHOZZZINYCFS-GOSISDBHSA-N 2 1 386.503 3.865 20 0 GHADMP O[C@H](C[NH2+]Cc1ccc(-c2ccccc2Br)s1)C[NH+]1CCCC1 ZINC000237966913 843991616 /nfs/dbraw/zinc/99/16/16/843991616.db2.gz KNGCTAHSBVTDLF-CQSZACIVSA-N 2 1 395.366 3.724 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303216932 844712717 /nfs/dbraw/zinc/71/27/17/844712717.db2.gz TUAMCFYKFSFVIM-SFHVURJKSA-N 2 1 383.511 3.997 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1F ZINC000246640398 844868162 /nfs/dbraw/zinc/86/81/62/844868162.db2.gz XBUJWUVIFVWLOU-CRAIPNDOSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1F ZINC000246640398 844868170 /nfs/dbraw/zinc/86/81/70/844868170.db2.gz XBUJWUVIFVWLOU-CRAIPNDOSA-N 2 1 387.474 3.513 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000282437048 861514013 /nfs/dbraw/zinc/51/40/13/861514013.db2.gz MUFNEFKNWMHUKG-PTUXOGIPSA-N 2 1 392.547 3.936 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000282437048 861514026 /nfs/dbraw/zinc/51/40/26/861514026.db2.gz MUFNEFKNWMHUKG-PTUXOGIPSA-N 2 1 392.547 3.936 20 0 GHADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCCC1 ZINC000512666128 844959805 /nfs/dbraw/zinc/95/98/05/844959805.db2.gz IZNJOYWLMDZGKV-DNVJHFABSA-N 2 1 383.580 3.669 20 0 GHADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](Cc3ccccc3)[C@H](O)C(F)F)CC2)C1 ZINC000513204490 845046387 /nfs/dbraw/zinc/04/63/87/845046387.db2.gz RVHJNJKBVKWRLP-RCOXNQKVSA-N 2 1 380.523 3.856 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000181630170 845233416 /nfs/dbraw/zinc/23/34/16/845233416.db2.gz BZWXVLXOAYFLEC-KSEOMHKRSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181630170 845233430 /nfs/dbraw/zinc/23/34/30/845233430.db2.gz BZWXVLXOAYFLEC-KSEOMHKRSA-N 2 1 383.580 3.668 20 0 GHADMP C[C@H](NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181630170 845233439 /nfs/dbraw/zinc/23/34/39/845233439.db2.gz BZWXVLXOAYFLEC-KSEOMHKRSA-N 2 1 383.580 3.668 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237116415 845352208 /nfs/dbraw/zinc/35/22/08/845352208.db2.gz LOQJGOYZGQTIDN-JFRXWTBNSA-N 2 1 397.485 3.722 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000318963255 845434274 /nfs/dbraw/zinc/43/42/74/845434274.db2.gz CWKYZDJETIUHRP-LBPRGKRZSA-N 2 1 381.236 3.779 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000047883959 845445740 /nfs/dbraw/zinc/44/57/40/845445740.db2.gz PHBPUSFAAISAQG-IBGZPJMESA-N 2 1 386.584 3.733 20 0 GHADMP COc1cccc(C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000513487560 845520792 /nfs/dbraw/zinc/52/07/92/845520792.db2.gz GRYMWSFNDFIQQY-XMMPIXPASA-N 2 1 380.532 3.638 20 0 GHADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513494291 845527301 /nfs/dbraw/zinc/52/73/01/845527301.db2.gz HGOJJAZWIPHTFI-ICSRJNTNSA-N 2 1 375.520 3.862 20 0 GHADMP Cc1cc(C)n2c(C[NH2+]CC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)cnc2n1 ZINC000513544378 845635867 /nfs/dbraw/zinc/63/58/67/845635867.db2.gz HHVPVFICYYZMJK-RXVVDRJESA-N 2 1 377.536 3.736 20 0 GHADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)cc1 ZINC000623736239 861601845 /nfs/dbraw/zinc/60/18/45/861601845.db2.gz SKFSTLCKJIQNHD-XZOQPEGZSA-N 2 1 377.532 3.845 20 0 GHADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccnn3-c3ccncc3)cc2)CC1 ZINC000657299392 845845301 /nfs/dbraw/zinc/84/53/01/845845301.db2.gz WDKFHFAOSRQPML-UHFFFAOYSA-N 2 1 375.520 3.789 20 0 GHADMP C[C@@H](NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000625325016 861611983 /nfs/dbraw/zinc/61/19/83/861611983.db2.gz GEODHGKCLBBAIM-VAMGGRTRSA-N 2 1 379.548 3.610 20 0 GHADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000657308705 845972395 /nfs/dbraw/zinc/97/23/95/845972395.db2.gz ARHUTFVYDDNAOC-HXUWFJFHSA-N 2 1 382.548 3.897 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000669708402 861633887 /nfs/dbraw/zinc/63/38/87/861633887.db2.gz PPHWZYSWQBMNHS-RBAUTDOXSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000669708402 861633892 /nfs/dbraw/zinc/63/38/92/861633892.db2.gz PPHWZYSWQBMNHS-RBAUTDOXSA-N 2 1 381.486 3.821 20 0 GHADMP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000669708402 861633895 /nfs/dbraw/zinc/63/38/95/861633895.db2.gz PPHWZYSWQBMNHS-RBAUTDOXSA-N 2 1 381.486 3.821 20 0 GHADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000481541747 861637524 /nfs/dbraw/zinc/63/75/24/861637524.db2.gz KPWKDILHLVFFIA-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1)C[C@H]1CCCC[C@H]1O ZINC000481541747 861637529 /nfs/dbraw/zinc/63/75/29/861637529.db2.gz KPWKDILHLVFFIA-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1)C[C@H]1CCCC[C@H]1O ZINC000481541747 861637539 /nfs/dbraw/zinc/63/75/39/861637539.db2.gz KPWKDILHLVFFIA-WAPCQROESA-N 2 1 388.596 3.652 20 0 GHADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC(=O)c2ccc(F)cc2)CC1 ZINC000513656296 846199180 /nfs/dbraw/zinc/19/91/80/846199180.db2.gz RDKMDKVLDGPVJC-UHFFFAOYSA-N 2 1 397.538 3.978 20 0 GHADMP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000502865338 846571548 /nfs/dbraw/zinc/57/15/48/846571548.db2.gz ZOFMTPJIRHAXAA-BGYRXZFFSA-N 2 1 380.621 3.508 20 0 GHADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051598 846579864 /nfs/dbraw/zinc/57/98/64/846579864.db2.gz YVOLZVGLLULSOS-HXUWFJFHSA-N 2 1 394.563 3.585 20 0 GHADMP Clc1cc(C[NH+]2CC[C@@H]3OCC[C@@H]3C2)cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000582179123 846590257 /nfs/dbraw/zinc/59/02/57/846590257.db2.gz KYXAVWHCNRHXLL-WKDRNLAYSA-N 2 1 390.955 3.562 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[NH+](C4CCC4)CC3)cc2)C1 ZINC000502932991 846626737 /nfs/dbraw/zinc/62/67/37/846626737.db2.gz IDNXICLPVBIVLU-BGYRXZFFSA-N 2 1 398.595 3.544 20 0 GHADMP Fc1ccc(F)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000582229695 846680392 /nfs/dbraw/zinc/68/03/92/846680392.db2.gz SAAFOSLYJGSVTQ-FQEVSTJZSA-N 2 1 386.486 3.983 20 0 GHADMP Fc1ccc(F)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000582229695 846680397 /nfs/dbraw/zinc/68/03/97/846680397.db2.gz SAAFOSLYJGSVTQ-FQEVSTJZSA-N 2 1 386.486 3.983 20 0 GHADMP Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000657374003 846711882 /nfs/dbraw/zinc/71/18/82/846711882.db2.gz CVYOBEKEJYJFEP-UHFFFAOYSA-N 2 1 392.425 3.954 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c(C)c1OC ZINC000513713189 846886261 /nfs/dbraw/zinc/88/62/61/846886261.db2.gz LUUSWPHEIBIIQF-SFHVURJKSA-N 2 1 390.568 3.568 20 0 GHADMP COc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1OC(F)F ZINC000647248539 846911584 /nfs/dbraw/zinc/91/15/84/846911584.db2.gz HOLZCBBYNIOMPM-MSOLQXFVSA-N 2 1 376.447 3.732 20 0 GHADMP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1OC(F)F ZINC000647248539 846911593 /nfs/dbraw/zinc/91/15/93/846911593.db2.gz HOLZCBBYNIOMPM-MSOLQXFVSA-N 2 1 376.447 3.732 20 0 GHADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000271867046 846939243 /nfs/dbraw/zinc/93/92/43/846939243.db2.gz LUTVQMAPSNNJFV-GOSISDBHSA-N 2 1 376.504 3.826 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000511103892 846959450 /nfs/dbraw/zinc/95/94/50/846959450.db2.gz DAEQOZLRWXHZRH-QHCPKHFHSA-N 2 1 379.548 3.809 20 0 GHADMP CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319412 847114557 /nfs/dbraw/zinc/11/45/57/847114557.db2.gz PMOWBVOHRDSKFU-SJLPKXTDSA-N 2 1 394.519 3.687 20 0 GHADMP CC[C@@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420319412 847114568 /nfs/dbraw/zinc/11/45/68/847114568.db2.gz PMOWBVOHRDSKFU-SJLPKXTDSA-N 2 1 394.519 3.687 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272608867 847124491 /nfs/dbraw/zinc/12/44/91/847124491.db2.gz VTWQIXQQIGZXIL-YLJYHZDGSA-N 2 1 383.502 3.903 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000272608867 847124498 /nfs/dbraw/zinc/12/44/98/847124498.db2.gz VTWQIXQQIGZXIL-YLJYHZDGSA-N 2 1 383.502 3.903 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000272620634 847127624 /nfs/dbraw/zinc/12/76/24/847127624.db2.gz YBUYVTMSVXHWKF-UHFFFAOYSA-N 2 1 383.502 3.966 20 0 GHADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000420409985 847173677 /nfs/dbraw/zinc/17/36/77/847173677.db2.gz XUHJPFKXRZPJPB-RBZQAINGSA-N 2 1 391.559 3.551 20 0 GHADMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000420409985 847173685 /nfs/dbraw/zinc/17/36/85/847173685.db2.gz XUHJPFKXRZPJPB-RBZQAINGSA-N 2 1 391.559 3.551 20 0 GHADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000511124371 847219983 /nfs/dbraw/zinc/21/99/83/847219983.db2.gz SQCARNSNEWHAKZ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000511124371 847219993 /nfs/dbraw/zinc/21/99/93/847219993.db2.gz SQCARNSNEWHAKZ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511124371 847220001 /nfs/dbraw/zinc/22/00/01/847220001.db2.gz SQCARNSNEWHAKZ-BJKOFHAPSA-N 2 1 391.559 3.679 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657429848 847250380 /nfs/dbraw/zinc/25/03/80/847250380.db2.gz LNTBRNWEENEENC-GOSISDBHSA-N 2 1 394.437 3.674 20 0 GHADMP c1ccc2c(c1)CC1(CCOCC1)[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420967914 847578607 /nfs/dbraw/zinc/57/86/07/847578607.db2.gz UUVCPHCJNLTWAI-XMMPIXPASA-N 2 1 392.543 3.703 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC000503391068 847648750 /nfs/dbraw/zinc/64/87/50/847648750.db2.gz UXMQWPMSCRGUAV-NRFANRHFSA-N 2 1 392.632 3.795 20 0 GHADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)c1 ZINC000604111790 861823383 /nfs/dbraw/zinc/82/33/83/861823383.db2.gz RWRDOPBIGXJPQO-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000604111790 861823390 /nfs/dbraw/zinc/82/33/90/861823390.db2.gz RWRDOPBIGXJPQO-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000604111790 861823405 /nfs/dbraw/zinc/82/34/05/861823405.db2.gz RWRDOPBIGXJPQO-HSZRJFAPSA-N 2 1 394.563 3.602 20 0 GHADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422976224 847924809 /nfs/dbraw/zinc/92/48/09/847924809.db2.gz URTAZEQTCYVGCE-DVECYGJZSA-N 2 1 386.543 3.692 20 0 GHADMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nc12 ZINC000423039777 847951261 /nfs/dbraw/zinc/95/12/61/847951261.db2.gz RPMKLASDEGBVHM-FGTMMUONSA-N 2 1 391.357 3.806 20 0 GHADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423044960 847953812 /nfs/dbraw/zinc/95/38/12/847953812.db2.gz RNDAATKCZCXYGB-FEGXGRLVSA-N 3 1 391.559 3.743 20 0 GHADMP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423044960 847953817 /nfs/dbraw/zinc/95/38/17/847953817.db2.gz RNDAATKCZCXYGB-FEGXGRLVSA-N 2 1 391.559 3.743 20 0 GHADMP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423044960 847953830 /nfs/dbraw/zinc/95/38/30/847953830.db2.gz RNDAATKCZCXYGB-FEGXGRLVSA-N 2 1 391.559 3.743 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1Cl ZINC000611687167 847965650 /nfs/dbraw/zinc/96/56/50/847965650.db2.gz PJYCMOSINVHJQY-FQEVSTJZSA-N 2 1 392.975 3.603 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC23CC3)cc1 ZINC000657537801 848133137 /nfs/dbraw/zinc/13/31/37/848133137.db2.gz TWOZGJAWEDTQIX-HSZRJFAPSA-N 3 1 397.607 3.664 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC23CC3)cc1 ZINC000657537801 848133143 /nfs/dbraw/zinc/13/31/43/848133143.db2.gz TWOZGJAWEDTQIX-HSZRJFAPSA-N 3 1 397.607 3.664 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000075007576 848169101 /nfs/dbraw/zinc/16/91/01/848169101.db2.gz VCYCOBWXLFZTQJ-UHFFFAOYSA-N 2 1 375.488 3.804 20 0 GHADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237472413 848275839 /nfs/dbraw/zinc/27/58/39/848275839.db2.gz HYRGBVGUZUYFPJ-SELNLUPBSA-N 2 1 379.548 3.871 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c2cccs2)CC1 ZINC000582755121 848297845 /nfs/dbraw/zinc/29/78/45/848297845.db2.gz GVXJXPSVKPYXJM-KRWDZBQOSA-N 2 1 399.482 3.551 20 0 GHADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000582783724 848368615 /nfs/dbraw/zinc/36/86/15/848368615.db2.gz RTNAAUYUTWFFBF-UNMCSNQZSA-N 2 1 379.548 3.693 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000048828854 848396130 /nfs/dbraw/zinc/39/61/30/848396130.db2.gz RFAAZKITHRZGDZ-HXUWFJFHSA-N 2 1 388.581 3.690 20 0 GHADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180015314 861905103 /nfs/dbraw/zinc/90/51/03/861905103.db2.gz UZHBCIAISGDZDN-FQEVSTJZSA-N 2 1 394.401 3.908 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000611728332 848571083 /nfs/dbraw/zinc/57/10/83/848571083.db2.gz QCXSHWWWQRYIPO-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CC1 ZINC000548776828 848587826 /nfs/dbraw/zinc/58/78/26/848587826.db2.gz GFJHQEOIGDWHMO-LJQANCHMSA-N 2 1 386.609 3.892 20 0 GHADMP Cc1ccc[nH+]c1N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H]([NH3+])Cc1ccccc1 ZINC001167637370 848687258 /nfs/dbraw/zinc/68/72/58/848687258.db2.gz VCZVYAPRHDLWPX-VABKMULXSA-N 2 1 375.516 3.734 20 0 GHADMP C[C@H](O)C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000121539316 848780194 /nfs/dbraw/zinc/78/01/94/848780194.db2.gz UPLUNNVIQXVPFY-SIKLNZKXSA-N 2 1 384.539 3.977 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000472272907 848780342 /nfs/dbraw/zinc/78/03/42/848780342.db2.gz FUYBTZMGIOAIHB-FQEVSTJZSA-N 2 1 386.540 3.793 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000472272907 848780347 /nfs/dbraw/zinc/78/03/47/848780347.db2.gz FUYBTZMGIOAIHB-FQEVSTJZSA-N 2 1 386.540 3.793 20 0 GHADMP COc1cc(C)c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000162234245 848871132 /nfs/dbraw/zinc/87/11/32/848871132.db2.gz KCFNTLAAPCZQDI-INIZCTEOSA-N 2 1 384.524 3.739 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@H]21 ZINC000583028763 848912391 /nfs/dbraw/zinc/91/23/91/848912391.db2.gz ULIPOZLDDQYTFO-JGGQBBKZSA-N 2 1 376.298 3.663 20 0 GHADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4Br)o3)C[C@H]21 ZINC000583028763 848912396 /nfs/dbraw/zinc/91/23/96/848912396.db2.gz ULIPOZLDDQYTFO-JGGQBBKZSA-N 2 1 376.298 3.663 20 0 GHADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000525635418 848969729 /nfs/dbraw/zinc/96/97/29/848969729.db2.gz YLNPZSINDRBJIY-DEOSSOPVSA-N 2 1 393.575 3.852 20 0 GHADMP Cc1cc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C(C)C)cc1Cl ZINC000583079527 849027431 /nfs/dbraw/zinc/02/74/31/849027431.db2.gz YFRPLTKGUSMCLT-SJLPKXTDSA-N 2 1 380.960 3.585 20 0 GHADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc([S@](C)=O)cc3)CC2)oc1C ZINC000162760261 849438163 /nfs/dbraw/zinc/43/81/63/849438163.db2.gz JHQJBDSJRSXHOD-CHAGWJKLSA-N 2 1 389.565 3.592 20 0 GHADMP COC(=O)C1CC[NH+](C[C@H](C[N@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167663714 849495873 /nfs/dbraw/zinc/49/58/73/849495873.db2.gz JEDILGDIFWSFRE-QHCPKHFHSA-N 2 1 380.532 3.787 20 0 GHADMP COC(=O)C1CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)CC1 ZINC001167663714 849495878 /nfs/dbraw/zinc/49/58/78/849495878.db2.gz JEDILGDIFWSFRE-QHCPKHFHSA-N 2 1 380.532 3.787 20 0 GHADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423097493 849741968 /nfs/dbraw/zinc/74/19/68/849741968.db2.gz BBGILIGKCHKDBT-NZQKXSOJSA-N 2 1 381.495 3.771 20 0 GHADMP C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423357397 849882881 /nfs/dbraw/zinc/88/28/81/849882881.db2.gz AIHJKLBVBDUECC-FCIXZNIRSA-N 2 1 399.529 3.911 20 0 GHADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423397421 849901211 /nfs/dbraw/zinc/90/12/11/849901211.db2.gz SSVZZJOEEHMXMG-XQBPLPMBSA-N 2 1 386.561 3.656 20 0 GHADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423397418 849901561 /nfs/dbraw/zinc/90/15/61/849901561.db2.gz SSVZZJOEEHMXMG-WOIUINJBSA-N 2 1 386.561 3.656 20 0 GHADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423508942 849948964 /nfs/dbraw/zinc/94/89/64/849948964.db2.gz LRPVLKJHLMQVBX-PBPGXSGUSA-N 2 1 383.502 3.833 20 0 GHADMP Clc1ccc([C@@H](Cc2cccnc2)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423522254 849966375 /nfs/dbraw/zinc/96/63/75/849966375.db2.gz UIVHLRSUTWPCOA-XPPIMPSXSA-N 2 1 398.982 3.825 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423836753 850070815 /nfs/dbraw/zinc/07/08/15/850070815.db2.gz ARNNHSFWXZLNBY-UHFFFAOYSA-N 2 1 391.559 3.577 20 0 GHADMP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000504444372 850072351 /nfs/dbraw/zinc/07/23/51/850072351.db2.gz UNERWXSCMNFAFR-PXWCZTGZSA-N 2 1 392.975 3.503 20 0 GHADMP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423830826 850078465 /nfs/dbraw/zinc/07/84/65/850078465.db2.gz QGUJPLUMFYIWMG-XUVXKRRUSA-N 2 1 385.939 3.928 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423830826 850078469 /nfs/dbraw/zinc/07/84/69/850078469.db2.gz QGUJPLUMFYIWMG-XUVXKRRUSA-N 2 1 385.939 3.928 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+]4CC[C@]5(CC[N@@H+](C)C5)C4)cc3)nc12 ZINC000430135274 850156246 /nfs/dbraw/zinc/15/62/46/850156246.db2.gz QMMPZCQEEJYSKF-DEOSSOPVSA-N 2 1 390.531 3.749 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[NH+]4CC[C@]5(CC[N@H+](C)C5)C4)cc3)nc12 ZINC000430135274 850156254 /nfs/dbraw/zinc/15/62/54/850156254.db2.gz QMMPZCQEEJYSKF-DEOSSOPVSA-N 2 1 390.531 3.749 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@]5(CC[NH+](C)C5)C4)cc3)nc12 ZINC000430135274 850156260 /nfs/dbraw/zinc/15/62/60/850156260.db2.gz QMMPZCQEEJYSKF-DEOSSOPVSA-N 2 1 390.531 3.749 20 0 GHADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@]5(CC[NH+](C)C5)C4)cc3)nc12 ZINC000430135274 850156267 /nfs/dbraw/zinc/15/62/67/850156267.db2.gz QMMPZCQEEJYSKF-DEOSSOPVSA-N 2 1 390.531 3.749 20 0 GHADMP CC(C)[NH+](CCN(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000506657781 850324701 /nfs/dbraw/zinc/32/47/01/850324701.db2.gz UJFJHPIBCQIICD-LJQANCHMSA-N 2 1 390.572 3.662 20 0 GHADMP Cc1cc(F)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(F)c1 ZINC000425338433 850360564 /nfs/dbraw/zinc/36/05/64/850360564.db2.gz PPCMQOCXQIWYOF-UHFFFAOYSA-N 2 1 379.539 3.901 20 0 GHADMP Cc1cc(F)c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(F)c1 ZINC000425338433 850360573 /nfs/dbraw/zinc/36/05/73/850360573.db2.gz PPCMQOCXQIWYOF-UHFFFAOYSA-N 2 1 379.539 3.901 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000514831582 850364313 /nfs/dbraw/zinc/36/43/13/850364313.db2.gz DHHCQUHWGJDTKJ-QOTSGZDISA-N 2 1 393.522 3.649 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000514831582 850364320 /nfs/dbraw/zinc/36/43/20/850364320.db2.gz DHHCQUHWGJDTKJ-QOTSGZDISA-N 2 1 393.522 3.649 20 0 GHADMP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(Cl)c1 ZINC000424354650 850384055 /nfs/dbraw/zinc/38/40/55/850384055.db2.gz SLJAAZXCHQLRKM-OAHLLOKOSA-N 2 1 377.916 3.925 20 0 GHADMP CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622952 850707457 /nfs/dbraw/zinc/70/74/57/850707457.db2.gz FXUYYEDYSROALO-KNQAVFIVSA-N 2 1 385.577 3.726 20 0 GHADMP CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435622952 850707467 /nfs/dbraw/zinc/70/74/67/850707467.db2.gz FXUYYEDYSROALO-KNQAVFIVSA-N 2 1 385.577 3.726 20 0 GHADMP c1csc(-c2noc(CCC[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)n2)c1 ZINC000435626874 850721886 /nfs/dbraw/zinc/72/18/86/850721886.db2.gz LUZKRPPWOPQLNT-SFHVURJKSA-N 2 1 397.548 3.770 20 0 GHADMP c1csc(-c2noc(CCC[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)n2)c1 ZINC000435626874 850721900 /nfs/dbraw/zinc/72/19/00/850721900.db2.gz LUZKRPPWOPQLNT-SFHVURJKSA-N 2 1 397.548 3.770 20 0 GHADMP CC[N@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630096 850725124 /nfs/dbraw/zinc/72/51/24/850725124.db2.gz ZKCVYXXRHYNCHE-IRLDBZIGSA-N 2 1 387.568 3.603 20 0 GHADMP CC[N@@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435630096 850725137 /nfs/dbraw/zinc/72/51/37/850725137.db2.gz ZKCVYXXRHYNCHE-IRLDBZIGSA-N 2 1 387.568 3.603 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435682415 850747807 /nfs/dbraw/zinc/74/78/07/850747807.db2.gz NIAALZZFCYDQQQ-NQIIRXRSSA-N 2 1 397.588 3.912 20 0 GHADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435682415 850747812 /nfs/dbraw/zinc/74/78/12/850747812.db2.gz NIAALZZFCYDQQQ-NQIIRXRSSA-N 2 1 397.588 3.912 20 0 GHADMP Cc1ncsc1C[N@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000435737174 850823483 /nfs/dbraw/zinc/82/34/83/850823483.db2.gz FLMXZFUKOMTPFN-HNNXBMFYSA-N 2 1 392.956 3.545 20 0 GHADMP Cc1ncsc1C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000435737174 850823487 /nfs/dbraw/zinc/82/34/87/850823487.db2.gz FLMXZFUKOMTPFN-HNNXBMFYSA-N 2 1 392.956 3.545 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000515301943 850891793 /nfs/dbraw/zinc/89/17/93/850891793.db2.gz VUSFQRYDNGAKSX-AUSIDOKSSA-N 2 1 391.559 3.794 20 0 GHADMP Brc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414837105 850901632 /nfs/dbraw/zinc/90/16/32/850901632.db2.gz VNTOHSSBLUOEAY-OAHLLOKOSA-N 2 1 390.325 3.512 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](CCC[NH3+])c3ccccc3)cc2)C[C@@H](C)O1 ZINC000519399390 851005143 /nfs/dbraw/zinc/00/51/43/851005143.db2.gz LMOLSUHYPQKKSL-DNVFCKCGSA-N 2 1 395.547 3.506 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000434351799 851005618 /nfs/dbraw/zinc/00/56/18/851005618.db2.gz DIRMJIPCYOFFNE-SIKLNZKXSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434351799 851005629 /nfs/dbraw/zinc/00/56/29/851005629.db2.gz DIRMJIPCYOFFNE-SIKLNZKXSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434351799 851005638 /nfs/dbraw/zinc/00/56/38/851005638.db2.gz DIRMJIPCYOFFNE-SIKLNZKXSA-N 2 1 390.616 3.689 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000434355028 851026190 /nfs/dbraw/zinc/02/61/90/851026190.db2.gz LQYSLUFIBPWVQX-OIBXWCBGSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000434355028 851026198 /nfs/dbraw/zinc/02/61/98/851026198.db2.gz LQYSLUFIBPWVQX-OIBXWCBGSA-N 2 1 398.595 3.698 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000434355028 851026206 /nfs/dbraw/zinc/02/62/06/851026206.db2.gz LQYSLUFIBPWVQX-OIBXWCBGSA-N 2 1 398.595 3.698 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000487987080 851042367 /nfs/dbraw/zinc/04/23/67/851042367.db2.gz JSDDAVYZYBPJQZ-UHFFFAOYSA-N 2 1 397.538 3.655 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(F)cc2C)CC1 ZINC000487987080 851042376 /nfs/dbraw/zinc/04/23/76/851042376.db2.gz JSDDAVYZYBPJQZ-UHFFFAOYSA-N 2 1 397.538 3.655 20 0 GHADMP COC(=O)[C@H](CC[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000425433680 851068352 /nfs/dbraw/zinc/06/83/52/851068352.db2.gz MKZUFFCXWPMYTA-VQTJNVASSA-N 2 1 381.520 3.664 20 0 GHADMP COC(=O)[C@H](CC[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)c1ccccc1 ZINC000425433680 851068360 /nfs/dbraw/zinc/06/83/60/851068360.db2.gz MKZUFFCXWPMYTA-VQTJNVASSA-N 2 1 381.520 3.664 20 0 GHADMP CCC1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000514017139 851124979 /nfs/dbraw/zinc/12/49/79/851124979.db2.gz DVWLDYOIYORTGQ-FCHUYYIVSA-N 2 1 398.595 3.605 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000434643155 851394150 /nfs/dbraw/zinc/39/41/50/851394150.db2.gz AUZBPTDOQYXHAI-UHFFFAOYSA-N 2 1 384.524 3.534 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488326656 851411031 /nfs/dbraw/zinc/41/10/31/851411031.db2.gz RNOCZQCUHHHWOH-HNNXBMFYSA-N 2 1 399.457 3.720 20 0 GHADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488423553 851484444 /nfs/dbraw/zinc/48/44/44/851484444.db2.gz XQZDPLMLEFCTNI-HNNXBMFYSA-N 2 1 383.458 3.840 20 0 GHADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000488427516 851494634 /nfs/dbraw/zinc/49/46/34/851494634.db2.gz VAOBHLWRJWWJID-DENIHFKCSA-N 2 1 392.609 3.796 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167974214 851676594 /nfs/dbraw/zinc/67/65/94/851676594.db2.gz REUDLHQBGKHZSU-VNVJMFPYSA-N 2 1 377.573 3.627 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745189 851679489 /nfs/dbraw/zinc/67/94/89/851679489.db2.gz JSOQWIDLEWZLQW-MDNUFGMLSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745189 851679495 /nfs/dbraw/zinc/67/94/95/851679495.db2.gz JSOQWIDLEWZLQW-MDNUFGMLSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745189 851679501 /nfs/dbraw/zinc/67/95/01/851679501.db2.gz JSOQWIDLEWZLQW-MDNUFGMLSA-N 2 1 382.548 3.720 20 0 GHADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745189 851679505 /nfs/dbraw/zinc/67/95/05/851679505.db2.gz JSOQWIDLEWZLQW-MDNUFGMLSA-N 2 1 382.548 3.720 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000473733132 851783798 /nfs/dbraw/zinc/78/37/98/851783798.db2.gz CEBIBZXLFBNHBY-YADHBBJMSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000473733132 851783804 /nfs/dbraw/zinc/78/38/04/851783804.db2.gz CEBIBZXLFBNHBY-YADHBBJMSA-N 2 1 386.584 3.735 20 0 GHADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000473733132 851783808 /nfs/dbraw/zinc/78/38/08/851783808.db2.gz CEBIBZXLFBNHBY-YADHBBJMSA-N 2 1 386.584 3.735 20 0 GHADMP C[C@H](c1nccc(N)n1)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838589 851881862 /nfs/dbraw/zinc/88/18/62/851881862.db2.gz VBCPNSHNSZOWSN-DYESRHJHSA-N 2 1 379.552 3.742 20 0 GHADMP C[C@H](c1nccc(N)n1)[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838589 851881874 /nfs/dbraw/zinc/88/18/74/851881874.db2.gz VBCPNSHNSZOWSN-DYESRHJHSA-N 2 1 379.552 3.742 20 0 GHADMP CC1(C)C[N@@H+](Cc2cnc3n2CCOC3)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000894683022 851900733 /nfs/dbraw/zinc/90/07/33/851900733.db2.gz JAFRESMCWHEVCM-HSZRJFAPSA-N 2 1 394.563 3.536 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000517540597 852070118 /nfs/dbraw/zinc/07/01/18/852070118.db2.gz GCORIIQIDXETMG-NZQKXSOJSA-N 2 1 394.563 3.595 20 0 GHADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517544778 852100913 /nfs/dbraw/zinc/10/09/13/852100913.db2.gz PDMGCSNKZCUFCX-KNQAVFIVSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517544778 852100917 /nfs/dbraw/zinc/10/09/17/852100917.db2.gz PDMGCSNKZCUFCX-KNQAVFIVSA-N 2 1 386.584 3.584 20 0 GHADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517544778 852100921 /nfs/dbraw/zinc/10/09/21/852100921.db2.gz PDMGCSNKZCUFCX-KNQAVFIVSA-N 2 1 386.584 3.584 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000517639303 852195772 /nfs/dbraw/zinc/19/57/72/852195772.db2.gz JOSUUGCBXUUYQN-FUHIMQAGSA-N 2 1 379.976 3.817 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000517639303 852195777 /nfs/dbraw/zinc/19/57/77/852195777.db2.gz JOSUUGCBXUUYQN-FUHIMQAGSA-N 2 1 379.976 3.817 20 0 GHADMP CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000506900995 852303581 /nfs/dbraw/zinc/30/35/81/852303581.db2.gz WTBPWNXOHLXRFN-UHFFFAOYSA-N 2 1 397.588 3.739 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000506921296 852338017 /nfs/dbraw/zinc/33/80/17/852338017.db2.gz IBISJQNUBVXCRU-GGPKGHCWSA-N 2 1 392.613 3.647 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC000570460383 852364341 /nfs/dbraw/zinc/36/43/41/852364341.db2.gz SVDFUWRKPQHQBF-CTNGQTDRSA-N 2 1 377.617 3.904 20 0 GHADMP Ic1cccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000517763887 852376182 /nfs/dbraw/zinc/37/61/82/852376182.db2.gz VKXZSOZPZAHAGJ-UHFFFAOYSA-N 2 1 384.305 3.788 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000506958459 852385228 /nfs/dbraw/zinc/38/52/28/852385228.db2.gz YRUBLRKFSKNQCB-CIAFKFPVSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000506958459 852385233 /nfs/dbraw/zinc/38/52/33/852385233.db2.gz YRUBLRKFSKNQCB-CIAFKFPVSA-N 2 1 392.632 3.650 20 0 GHADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000506958459 852385240 /nfs/dbraw/zinc/38/52/40/852385240.db2.gz YRUBLRKFSKNQCB-CIAFKFPVSA-N 2 1 392.632 3.650 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)c1 ZINC000489638411 852502258 /nfs/dbraw/zinc/50/22/58/852502258.db2.gz ZYPSSURQJLRHMY-DEOSSOPVSA-N 2 1 396.575 3.887 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000505914482 852569198 /nfs/dbraw/zinc/56/91/98/852569198.db2.gz ZLEGPSAVAQUAOE-MZYLBHOOSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000505914482 852569204 /nfs/dbraw/zinc/56/92/04/852569204.db2.gz ZLEGPSAVAQUAOE-MZYLBHOOSA-N 2 1 383.580 3.764 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000505914482 852569211 /nfs/dbraw/zinc/56/92/11/852569211.db2.gz ZLEGPSAVAQUAOE-MZYLBHOOSA-N 2 1 383.580 3.764 20 0 GHADMP CCC(CC)n1ccc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000438572823 852572596 /nfs/dbraw/zinc/57/25/96/852572596.db2.gz HAJPOILWZQSKSC-RTBURBONSA-N 2 1 376.589 3.956 20 0 GHADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000489871874 852639059 /nfs/dbraw/zinc/63/90/59/852639059.db2.gz NRLHZQGCQZTNCX-XZOQPEGZSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1)c1ccccc1 ZINC000489871874 852639068 /nfs/dbraw/zinc/63/90/68/852639068.db2.gz NRLHZQGCQZTNCX-XZOQPEGZSA-N 2 1 395.547 3.641 20 0 GHADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000507380935 852837260 /nfs/dbraw/zinc/83/72/60/852837260.db2.gz QXYSBNMLTGWABX-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000507380935 852837267 /nfs/dbraw/zinc/83/72/67/852837267.db2.gz QXYSBNMLTGWABX-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000507380935 852837273 /nfs/dbraw/zinc/83/72/73/852837273.db2.gz QXYSBNMLTGWABX-UGKGYDQZSA-N 2 1 386.584 3.592 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000490248710 852866359 /nfs/dbraw/zinc/86/63/59/852866359.db2.gz OTJHMBPLVDNPEJ-VQIMIIECSA-N 2 1 391.357 3.678 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)CC[N@H+]1Cc1ccccc1 ZINC000490248710 852866363 /nfs/dbraw/zinc/86/63/63/852866363.db2.gz OTJHMBPLVDNPEJ-VQIMIIECSA-N 2 1 391.357 3.678 20 0 GHADMP CN(c1ccccc1CN1CC[NH+](Cc2cccs2)CC1)C1CC[NH+](C)CC1 ZINC000506059116 853203758 /nfs/dbraw/zinc/20/37/58/853203758.db2.gz DIQCCAYMMPBLOP-UHFFFAOYSA-N 2 1 398.620 3.596 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3OCC(C)C)CC2)CC1 ZINC000516978989 853220290 /nfs/dbraw/zinc/22/02/90/853220290.db2.gz JHXHSRUAUILISX-UHFFFAOYSA-N 2 1 387.568 3.856 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823706 853276459 /nfs/dbraw/zinc/27/64/59/853276459.db2.gz IQJRXVYEDWRLFJ-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823706 853276466 /nfs/dbraw/zinc/27/64/66/853276466.db2.gz IQJRXVYEDWRLFJ-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000490823706 853276471 /nfs/dbraw/zinc/27/64/71/853276471.db2.gz IQJRXVYEDWRLFJ-PMOQBDJRSA-N 2 1 379.548 3.706 20 0 GHADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000439142935 853339502 /nfs/dbraw/zinc/33/95/02/853339502.db2.gz XOHPOWPTZQYHQF-RHSMWYFYSA-N 2 1 387.387 3.644 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437632415 853340435 /nfs/dbraw/zinc/34/04/35/853340435.db2.gz GQLWEIFGQIRAAN-FPOVZHCZSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437632415 853340447 /nfs/dbraw/zinc/34/04/47/853340447.db2.gz GQLWEIFGQIRAAN-FPOVZHCZSA-N 2 1 378.605 3.737 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437632415 853340456 /nfs/dbraw/zinc/34/04/56/853340456.db2.gz GQLWEIFGQIRAAN-FPOVZHCZSA-N 2 1 378.605 3.737 20 0 GHADMP CCOc1cc(C[NH2+]CCC[NH+]2CCC2)cc(Br)c1OC(F)F ZINC000519702039 853385741 /nfs/dbraw/zinc/38/57/41/853385741.db2.gz HUGCDHXAPDXWHK-UHFFFAOYSA-N 2 1 393.272 3.635 20 0 GHADMP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491028328 853407146 /nfs/dbraw/zinc/40/71/46/853407146.db2.gz OOBVAODHALDHFP-NRFANRHFSA-N 2 1 393.575 3.578 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCN1Cc1ccccc1 ZINC000491030015 853407923 /nfs/dbraw/zinc/40/79/23/853407923.db2.gz UXLFCMXKTFZMBX-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426309900 853407914 /nfs/dbraw/zinc/40/79/14/853407914.db2.gz ISIGAJXRXQSKKR-PGRDOPGGSA-N 2 1 375.516 3.539 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000426309900 853407918 /nfs/dbraw/zinc/40/79/18/853407918.db2.gz ISIGAJXRXQSKKR-PGRDOPGGSA-N 2 1 375.516 3.539 20 0 GHADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000491030015 853407933 /nfs/dbraw/zinc/40/79/33/853407933.db2.gz UXLFCMXKTFZMBX-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+]1Cc1ccccc1 ZINC000491030015 853407942 /nfs/dbraw/zinc/40/79/42/853407942.db2.gz UXLFCMXKTFZMBX-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000491030015 853407950 /nfs/dbraw/zinc/40/79/50/853407950.db2.gz UXLFCMXKTFZMBX-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000491030015 853407958 /nfs/dbraw/zinc/40/79/58/853407958.db2.gz UXLFCMXKTFZMBX-DNQXCXABSA-N 2 1 391.559 3.632 20 0 GHADMP Cc1ccc(C)c([C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000491051423 853426854 /nfs/dbraw/zinc/42/68/54/853426854.db2.gz JCSPJQYPVCBQCE-JTHBVZDNSA-N 2 1 379.548 3.570 20 0 GHADMP Cc1ccc(C)c([C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)c1 ZINC000491051423 853426857 /nfs/dbraw/zinc/42/68/57/853426857.db2.gz JCSPJQYPVCBQCE-JTHBVZDNSA-N 2 1 379.548 3.570 20 0 GHADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 ZINC000519754597 853463336 /nfs/dbraw/zinc/46/33/36/853463336.db2.gz WRXNIFSDMAASRD-ROUUACIJSA-N 2 1 385.577 3.952 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000518528455 853475445 /nfs/dbraw/zinc/47/54/45/853475445.db2.gz CDLWETQIJDNRLH-QGZVFWFLSA-N 2 1 394.991 3.582 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780558 853502772 /nfs/dbraw/zinc/50/27/72/853502772.db2.gz VSFZRUAFAXSMBU-FDFHNCONSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780558 853502777 /nfs/dbraw/zinc/50/27/77/853502777.db2.gz VSFZRUAFAXSMBU-FDFHNCONSA-N 2 1 384.568 3.528 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000437780558 853502780 /nfs/dbraw/zinc/50/27/80/853502780.db2.gz VSFZRUAFAXSMBU-FDFHNCONSA-N 2 1 384.568 3.528 20 0 GHADMP CC[C@@H](C)Oc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000437832306 853561813 /nfs/dbraw/zinc/56/18/13/853561813.db2.gz FSSAPJXALJOTMG-UYAOXDASSA-N 2 1 390.572 3.744 20 0 GHADMP C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc(C[NH+]4CCCCC4)cc3)n1)OC2 ZINC000570970343 853668771 /nfs/dbraw/zinc/66/87/71/853668771.db2.gz AZGLNFYOMGSPOB-SIKLNZKXSA-N 2 1 382.508 3.648 20 0 GHADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000164086699 853678007 /nfs/dbraw/zinc/67/80/07/853678007.db2.gz BZGRAOLTFFTUEW-UHFFFAOYSA-N 2 1 393.547 3.726 20 0 GHADMP COc1cc2ccnc(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)c2cc1F ZINC000571034221 853698095 /nfs/dbraw/zinc/69/80/95/853698095.db2.gz QSGJZOYKPRPVCO-HRAATJIYSA-N 2 1 397.498 3.635 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000506598593 853715765 /nfs/dbraw/zinc/71/57/65/853715765.db2.gz UYXREFDOPRQVKH-SVFBPWRDSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000506598593 853715769 /nfs/dbraw/zinc/71/57/69/853715769.db2.gz UYXREFDOPRQVKH-SVFBPWRDSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000506598593 853715774 /nfs/dbraw/zinc/71/57/74/853715774.db2.gz UYXREFDOPRQVKH-SVFBPWRDSA-N 2 1 394.987 3.804 20 0 GHADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000506598593 853715779 /nfs/dbraw/zinc/71/57/79/853715779.db2.gz UYXREFDOPRQVKH-SVFBPWRDSA-N 2 1 394.987 3.804 20 0 GHADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(Sc4ccccc4)cc3)C2)nn1 ZINC000571179990 853757812 /nfs/dbraw/zinc/75/78/12/853757812.db2.gz JWDYKCZIWSTAPV-IBGZPJMESA-N 2 1 379.533 3.725 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[NH+](C)C)cc1 ZINC000520108722 853851730 /nfs/dbraw/zinc/85/17/30/853851730.db2.gz TXENBHPEDWVNAY-JTHBVZDNSA-N 2 1 397.538 3.765 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)C2)CC1 ZINC000520289585 854035039 /nfs/dbraw/zinc/03/50/39/854035039.db2.gz IZNIWHGIWIKEEH-HNNXBMFYSA-N 2 1 394.350 3.738 20 0 GHADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)C2)CC1 ZINC000520289585 854035043 /nfs/dbraw/zinc/03/50/43/854035043.db2.gz IZNIWHGIWIKEEH-HNNXBMFYSA-N 2 1 394.350 3.738 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)[C@H]2CCC[C@H]21 ZINC000571748793 854038426 /nfs/dbraw/zinc/03/84/26/854038426.db2.gz HCTCBABLKJPHOR-XPWALMASSA-N 2 1 394.563 3.768 20 0 GHADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263659 854166097 /nfs/dbraw/zinc/16/60/97/854166097.db2.gz LKZKTJKKSWRSMC-PUHATCMVSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263659 854166103 /nfs/dbraw/zinc/16/61/03/854166103.db2.gz LKZKTJKKSWRSMC-PUHATCMVSA-N 2 1 395.522 3.599 20 0 GHADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)[C@@H]1c1ccccc1 ZINC000536263659 854166107 /nfs/dbraw/zinc/16/61/07/854166107.db2.gz LKZKTJKKSWRSMC-PUHATCMVSA-N 2 1 395.522 3.599 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC[N@@H+]1C ZINC000467419213 854176222 /nfs/dbraw/zinc/17/62/22/854176222.db2.gz PPYYIXRHWFLCFC-ZMYBRWDISA-N 2 1 381.358 3.989 20 0 GHADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC[N@H+]1C ZINC000467419213 854176227 /nfs/dbraw/zinc/17/62/27/854176227.db2.gz PPYYIXRHWFLCFC-ZMYBRWDISA-N 2 1 381.358 3.989 20 0 GHADMP CC[N@@H+](CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000588268366 854262923 /nfs/dbraw/zinc/26/29/23/854262923.db2.gz IQUZESBLFXEHGU-LJQANCHMSA-N 2 1 380.964 3.506 20 0 GHADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3coc(-c4ccc(F)cc4)n3)CC2)C[C@H](C)O1 ZINC000588709715 854369637 /nfs/dbraw/zinc/36/96/37/854369637.db2.gz CSSZDORZMDDKAH-IRXDYDNUSA-N 2 1 387.499 3.802 20 0 GHADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000572126019 854404914 /nfs/dbraw/zinc/40/49/14/854404914.db2.gz SSQWLEOCZDKXFS-NRFANRHFSA-N 2 1 382.552 3.692 20 0 GHADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000572126019 854404915 /nfs/dbraw/zinc/40/49/15/854404915.db2.gz SSQWLEOCZDKXFS-NRFANRHFSA-N 2 1 382.552 3.692 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000624011913 862581360 /nfs/dbraw/zinc/58/13/60/862581360.db2.gz MFCBMPJMOCGWCO-GCJKJVERSA-N 2 1 390.531 3.505 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc(-c2ccccc2)n(C)n1 ZINC000624011913 862581366 /nfs/dbraw/zinc/58/13/66/862581366.db2.gz MFCBMPJMOCGWCO-GCJKJVERSA-N 2 1 390.531 3.505 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536297431 854649121 /nfs/dbraw/zinc/64/91/21/854649121.db2.gz VEUPGJUNVIOSTE-WOJBJXKFSA-N 2 1 392.975 3.506 20 0 GHADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000536297431 854649126 /nfs/dbraw/zinc/64/91/26/854649126.db2.gz VEUPGJUNVIOSTE-WOJBJXKFSA-N 2 1 392.975 3.506 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000589206308 854749490 /nfs/dbraw/zinc/74/94/90/854749490.db2.gz ZRKQMHPEVIGGNH-LPHOPBHVSA-N 2 1 380.964 3.506 20 0 GHADMP CC(C[NH+]1CC[C@H](Nc2ccccc2)C1)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000112662444 854763716 /nfs/dbraw/zinc/76/37/16/854763716.db2.gz WWBYRTMQRYVCQX-ZEQRLZLVSA-N 2 1 378.564 3.995 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465615139 855017499 /nfs/dbraw/zinc/01/74/99/855017499.db2.gz HODNYXPXARWUCQ-QHCPKHFHSA-N 2 1 398.595 3.736 20 0 GHADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C[C@H]1C ZINC000458979526 855025284 /nfs/dbraw/zinc/02/52/84/855025284.db2.gz QXSXTVWHWGBBPO-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C[C@H]1C ZINC000458979526 855025288 /nfs/dbraw/zinc/02/52/88/855025288.db2.gz QXSXTVWHWGBBPO-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C[C@H]1C ZINC000458979526 855025297 /nfs/dbraw/zinc/02/52/97/855025297.db2.gz QXSXTVWHWGBBPO-TZIWHRDSSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CCC[C@H]3CO)ccc2n1 ZINC000189427349 855091937 /nfs/dbraw/zinc/09/19/37/855091937.db2.gz WZEUNMSRKXKMEU-QHCPKHFHSA-N 2 1 375.516 3.790 20 0 GHADMP O=C1c2ccccc2[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)N1Cc1ccccc1 ZINC000624107701 862659563 /nfs/dbraw/zinc/65/95/63/862659563.db2.gz UKFYFAKFLQZUBD-HSZRJFAPSA-N 2 1 375.516 3.600 20 0 GHADMP c1c(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000055043116 855260051 /nfs/dbraw/zinc/26/00/51/855260051.db2.gz VPJHTYWIEXHEAS-UHFFFAOYSA-N 2 1 387.531 3.710 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590147018 855298052 /nfs/dbraw/zinc/29/80/52/855298052.db2.gz CUKPFCFJSSBFSZ-IRLDBZIGSA-N 2 1 386.584 3.777 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(C(=O)OC)cc1 ZINC000590242147 855329509 /nfs/dbraw/zinc/32/95/09/855329509.db2.gz ZUYMTLOOTSOHTK-MBSDFSHPSA-N 2 1 396.531 3.935 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(C(=O)OC)cc1 ZINC000590242147 855329519 /nfs/dbraw/zinc/32/95/19/855329519.db2.gz ZUYMTLOOTSOHTK-MBSDFSHPSA-N 2 1 396.531 3.935 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000542707868 855509304 /nfs/dbraw/zinc/50/93/04/855509304.db2.gz MYNPBOPHRHZSRM-GFRNBQLOSA-N 2 1 378.532 3.772 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000590819015 855620243 /nfs/dbraw/zinc/62/02/43/855620243.db2.gz SNXXSIDBRYPMAQ-UHFFFAOYSA-N 2 1 396.373 3.830 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)c1cccs1 ZINC000465707818 855636444 /nfs/dbraw/zinc/63/64/44/855636444.db2.gz APSIRRWAFKONAI-OALUTQOASA-N 2 1 394.629 3.893 20 0 GHADMP CC(=O)N(c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1)c1ccc(F)cc1 ZINC000262110999 855672075 /nfs/dbraw/zinc/67/20/75/855672075.db2.gz WLDHNHVLJDSMAQ-UHFFFAOYSA-N 2 1 388.512 3.542 20 0 GHADMP CC(=O)N(c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1)c1ccc(F)cc1 ZINC000262110999 855672085 /nfs/dbraw/zinc/67/20/85/855672085.db2.gz WLDHNHVLJDSMAQ-UHFFFAOYSA-N 2 1 388.512 3.542 20 0 GHADMP CN(C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004236 855752499 /nfs/dbraw/zinc/75/24/99/855752499.db2.gz RTKYAXXANOEPKW-WRURNZQNSA-N 2 1 377.573 3.581 20 0 GHADMP CN(C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004236 855752504 /nfs/dbraw/zinc/75/25/04/855752504.db2.gz RTKYAXXANOEPKW-WRURNZQNSA-N 2 1 377.573 3.581 20 0 GHADMP CN(C[C@H]1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)C(=O)OC(C)(C)C ZINC001168004236 855752507 /nfs/dbraw/zinc/75/25/07/855752507.db2.gz RTKYAXXANOEPKW-WRURNZQNSA-N 2 1 377.573 3.581 20 0 GHADMP CCCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520610127 855787247 /nfs/dbraw/zinc/78/72/47/855787247.db2.gz VQOAHBWIZWRGRS-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520610127 855787257 /nfs/dbraw/zinc/78/72/57/855787257.db2.gz VQOAHBWIZWRGRS-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520610127 855787273 /nfs/dbraw/zinc/78/72/73/855787273.db2.gz VQOAHBWIZWRGRS-UGKGYDQZSA-N 2 1 386.584 3.555 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000542843985 856122076 /nfs/dbraw/zinc/12/20/76/856122076.db2.gz OFWHTVYLHSFGDO-NFBKMPQASA-N 2 1 391.559 3.999 20 0 GHADMP C[C@@H]1C[C@H]([NH2+]CCCC(=O)N2CCc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000542843985 856122082 /nfs/dbraw/zinc/12/20/82/856122082.db2.gz OFWHTVYLHSFGDO-NFBKMPQASA-N 2 1 391.559 3.999 20 0 GHADMP Brc1cccc(-c2cnc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000573447650 856130723 /nfs/dbraw/zinc/13/07/23/856130723.db2.gz DQWKZTNLMHLILK-CVEARBPZSA-N 2 1 390.325 3.926 20 0 GHADMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(Br)cc3)cc2)CCO1 ZINC001204756313 856139447 /nfs/dbraw/zinc/13/94/47/856139447.db2.gz NGJDJXNMEXEWNV-LJQANCHMSA-N 2 1 391.309 3.791 20 0 GHADMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(Br)cc3)cc2)CCO1 ZINC001204756313 856139451 /nfs/dbraw/zinc/13/94/51/856139451.db2.gz NGJDJXNMEXEWNV-LJQANCHMSA-N 2 1 391.309 3.791 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000474010210 856154425 /nfs/dbraw/zinc/15/44/25/856154425.db2.gz KGNQOVPBZJRNLN-BVVFMGSASA-N 2 1 398.595 3.877 20 0 GHADMP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000520723619 856179932 /nfs/dbraw/zinc/17/99/32/856179932.db2.gz KWEGXRUDVSPNEU-QFIPXVFZSA-N 2 1 399.966 3.971 20 0 GHADMP C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000579593739 856200416 /nfs/dbraw/zinc/20/04/16/856200416.db2.gz PXLWYKHFHIXMAP-BYICEURKSA-N 2 1 387.325 3.621 20 0 GHADMP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000579593739 856200429 /nfs/dbraw/zinc/20/04/29/856200429.db2.gz PXLWYKHFHIXMAP-BYICEURKSA-N 2 1 387.325 3.621 20 0 GHADMP COc1ccc([C@H]2C[C@H](N(c3[nH+]cccc3C)C3CC[NH2+]CC3)CCO2)cc1 ZINC001168671137 856433785 /nfs/dbraw/zinc/43/37/85/856433785.db2.gz FGKTZXGQXJFNFT-IFMALSPDSA-N 2 1 381.520 3.877 20 0 GHADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166437585 856957370 /nfs/dbraw/zinc/95/73/70/856957370.db2.gz KFRGJHCWHXZJEK-NNWRFLSQSA-N 2 1 384.568 3.610 20 0 GHADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000166437585 856957374 /nfs/dbraw/zinc/95/73/74/856957374.db2.gz KFRGJHCWHXZJEK-NNWRFLSQSA-N 2 1 384.568 3.610 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000499513165 857085369 /nfs/dbraw/zinc/08/53/69/857085369.db2.gz IRZWOGKFAOLYKY-KRWDZBQOSA-N 2 1 377.916 3.574 20 0 GHADMP CC(C)n1ncc2cc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cnc21 ZINC000174399557 857289013 /nfs/dbraw/zinc/28/90/13/857289013.db2.gz IMXAGUSQHPKHRE-FQEVSTJZSA-N 2 1 377.536 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cnc21 ZINC000174399557 857289020 /nfs/dbraw/zinc/28/90/20/857289020.db2.gz IMXAGUSQHPKHRE-FQEVSTJZSA-N 2 1 377.536 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cnc21 ZINC000174399557 857289026 /nfs/dbraw/zinc/28/90/26/857289026.db2.gz IMXAGUSQHPKHRE-FQEVSTJZSA-N 2 1 377.536 3.966 20 0 GHADMP CC(C)n1ncc2cc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cnc21 ZINC000174399557 857289029 /nfs/dbraw/zinc/28/90/29/857289029.db2.gz IMXAGUSQHPKHRE-FQEVSTJZSA-N 2 1 377.536 3.966 20 0 GHADMP CCCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000486025612 857356294 /nfs/dbraw/zinc/35/62/94/857356294.db2.gz CNYIVSYBTWGMKX-LEWJYISDSA-N 2 1 380.536 3.664 20 0 GHADMP CCCN(C(=O)[C@H]1CCCc2[nH+]ccn21)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486025612 857356299 /nfs/dbraw/zinc/35/62/99/857356299.db2.gz CNYIVSYBTWGMKX-LEWJYISDSA-N 2 1 380.536 3.664 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000312391795 857444733 /nfs/dbraw/zinc/44/47/33/857444733.db2.gz CWMMGRZZBDTQQC-UXHICEINSA-N 2 1 388.939 3.582 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555557 857464931 /nfs/dbraw/zinc/46/49/31/857464931.db2.gz LOBVYZQNVWMFLU-XUVXKRRUSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555557 857464937 /nfs/dbraw/zinc/46/49/37/857464937.db2.gz LOBVYZQNVWMFLU-XUVXKRRUSA-N 2 1 392.975 3.649 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672555557 857464943 /nfs/dbraw/zinc/46/49/43/857464943.db2.gz LOBVYZQNVWMFLU-XUVXKRRUSA-N 2 1 392.975 3.649 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1OCc1ccccc1 ZINC000574278044 857493430 /nfs/dbraw/zinc/49/34/30/857493430.db2.gz ZZMZIBKUZXNDCV-PCCBWWKXSA-N 2 1 396.531 3.842 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1I ZINC000593320547 857526312 /nfs/dbraw/zinc/52/63/12/857526312.db2.gz SZMDQXULFPRIFU-LLVKDONJSA-N 2 1 384.236 3.740 20 0 GHADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486225183 857553539 /nfs/dbraw/zinc/55/35/39/857553539.db2.gz BQGOWEDTFORRML-IFMALSPDSA-N 2 1 398.595 3.699 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675666665 857553746 /nfs/dbraw/zinc/55/37/46/857553746.db2.gz QZOXJFDNIFISDX-REWPJTCUSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675666665 857553752 /nfs/dbraw/zinc/55/37/52/857553752.db2.gz QZOXJFDNIFISDX-REWPJTCUSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675666665 857553758 /nfs/dbraw/zinc/55/37/58/857553758.db2.gz QZOXJFDNIFISDX-REWPJTCUSA-N 2 1 398.595 3.549 20 0 GHADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675666665 857553764 /nfs/dbraw/zinc/55/37/64/857553764.db2.gz QZOXJFDNIFISDX-REWPJTCUSA-N 2 1 398.595 3.549 20 0 GHADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000486214345 857557758 /nfs/dbraw/zinc/55/77/58/857557758.db2.gz MACBHJDQRXICOW-GPJHCHHRSA-N 2 1 398.595 3.555 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000486228637 857569181 /nfs/dbraw/zinc/56/91/81/857569181.db2.gz QBYXARIXNQBYFS-GOSISDBHSA-N 2 1 395.551 3.902 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3cccc4ccccc43)CC2)CC1 ZINC000063762664 857654488 /nfs/dbraw/zinc/65/44/88/857654488.db2.gz GAHNDUFXQZSZSZ-UHFFFAOYSA-N 2 1 377.532 3.529 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3cccc4ccccc43)CC2)CC1 ZINC000063762664 857654493 /nfs/dbraw/zinc/65/44/93/857654493.db2.gz GAHNDUFXQZSZSZ-UHFFFAOYSA-N 2 1 377.532 3.529 20 0 GHADMP CC[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000574334257 857708828 /nfs/dbraw/zinc/70/88/28/857708828.db2.gz PABMWFSOUTURDW-UHFFFAOYSA-N 2 1 393.575 3.640 20 0 GHADMP CCOc1cc2[nH+]ccc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)c2cc1OCC ZINC000486487142 857771671 /nfs/dbraw/zinc/77/16/71/857771671.db2.gz LEUQMAUYUJFQDV-QGZVFWFLSA-N 2 1 399.535 3.722 20 0 GHADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccncc2Cl)CC1 ZINC000181639021 862951740 /nfs/dbraw/zinc/95/17/40/862951740.db2.gz QMJVXVSCDXOKJI-OAHLLOKOSA-N 2 1 376.907 3.867 20 0 GHADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2OCC2CC2)c2cccs2)CC1 ZINC000521332106 857892820 /nfs/dbraw/zinc/89/28/20/857892820.db2.gz ZUMBBCKARYXWKA-HXUWFJFHSA-N 2 1 385.577 3.615 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466032470 857925923 /nfs/dbraw/zinc/92/59/23/857925923.db2.gz AOMIAUQWYRTBBV-KSEOMHKRSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000466032470 857925931 /nfs/dbraw/zinc/92/59/31/857925931.db2.gz AOMIAUQWYRTBBV-KSEOMHKRSA-N 2 1 386.584 3.555 20 0 GHADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000466032470 857925935 /nfs/dbraw/zinc/92/59/35/857925935.db2.gz AOMIAUQWYRTBBV-KSEOMHKRSA-N 2 1 386.584 3.555 20 0 GHADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000605340206 862967529 /nfs/dbraw/zinc/96/75/29/862967529.db2.gz SOJFTFBYNJQGNH-RTBURBONSA-N 2 1 390.572 3.649 20 0 GHADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000486701620 858007616 /nfs/dbraw/zinc/00/76/16/858007616.db2.gz OKVCIXMHWCZSRZ-UHFFFAOYSA-N 2 1 380.511 3.734 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442707885 858065322 /nfs/dbraw/zinc/06/53/22/858065322.db2.gz HSEXMUDKGODFIY-OAQYLSRUSA-N 2 1 388.559 3.562 20 0 GHADMP Cc1c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cnn1-c1cc(C)ccc1C ZINC000482359258 862983675 /nfs/dbraw/zinc/98/36/75/862983675.db2.gz QGGLEISNEYGHGM-FQEVSTJZSA-N 2 1 397.611 3.722 20 0 GHADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(Br)c1 ZINC000181733332 862991021 /nfs/dbraw/zinc/99/10/21/862991021.db2.gz HOWKBLDBJLJHPO-QZTJIDSGSA-N 2 1 387.337 3.866 20 0 GHADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000765973723 858169151 /nfs/dbraw/zinc/16/91/51/858169151.db2.gz DODMPQSCHJNLNC-RHSMWYFYSA-N 2 1 384.467 3.591 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442864884 858183735 /nfs/dbraw/zinc/18/37/35/858183735.db2.gz AVEPXEFYLMGGFN-GGAORHGYSA-N 2 1 384.612 3.928 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442864884 858183737 /nfs/dbraw/zinc/18/37/37/858183737.db2.gz AVEPXEFYLMGGFN-GGAORHGYSA-N 2 1 384.612 3.928 20 0 GHADMP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCCC2 ZINC000181740634 862993662 /nfs/dbraw/zinc/99/36/62/862993662.db2.gz KRZXUOYCTMKZFD-VQTJNVASSA-N 2 1 375.557 3.831 20 0 GHADMP C[N@H+]1CCN(CC[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1(C)C ZINC000442869554 858188013 /nfs/dbraw/zinc/18/80/13/858188013.db2.gz BWBSBGSROURHDN-NRFANRHFSA-N 2 1 386.971 3.634 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)CC1 ZINC000066568143 858191692 /nfs/dbraw/zinc/19/16/92/858191692.db2.gz QRALJHYBRHUIJE-QGZVFWFLSA-N 2 1 377.960 3.667 20 0 GHADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccc(C)c(C)c4)s3)C2)CC1 ZINC000594604013 858218903 /nfs/dbraw/zinc/21/89/03/858218903.db2.gz XCCLKGJAEDGMTB-HXUWFJFHSA-N 2 1 384.593 3.639 20 0 GHADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(C)o1 ZINC000594607767 858240587 /nfs/dbraw/zinc/24/05/87/858240587.db2.gz FDONWAHFVMOKOA-UHFFFAOYSA-N 2 1 382.460 3.889 20 0 GHADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000442918669 858242867 /nfs/dbraw/zinc/24/28/67/858242867.db2.gz HRJJRSWCPLHCAQ-HXUWFJFHSA-N 2 1 375.520 3.554 20 0 GHADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553081 858360487 /nfs/dbraw/zinc/36/04/87/858360487.db2.gz MGIJXMRDAMKNGV-ROUUACIJSA-N 2 1 396.938 3.526 20 0 GHADMP CC(C)[N@H+]1CC[C@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669553081 858360497 /nfs/dbraw/zinc/36/04/97/858360497.db2.gz MGIJXMRDAMKNGV-ROUUACIJSA-N 2 1 396.938 3.526 20 0 GHADMP Fc1ccc(OCc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cc1 ZINC000655779496 858446595 /nfs/dbraw/zinc/44/65/95/858446595.db2.gz MKPKXKRVUVVTCR-QFIPXVFZSA-N 2 1 384.495 3.748 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639258529 858496416 /nfs/dbraw/zinc/49/64/16/858496416.db2.gz BWARJXZNJPPLJG-AWRGLXIESA-N 2 1 380.532 3.729 20 0 GHADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000639258529 858496421 /nfs/dbraw/zinc/49/64/21/858496421.db2.gz BWARJXZNJPPLJG-AWRGLXIESA-N 2 1 380.532 3.729 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000521991180 858514412 /nfs/dbraw/zinc/51/44/12/858514412.db2.gz RRSLCGGJAPSYQH-RBBKRZOGSA-N 2 1 386.584 3.696 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+]1CCCC[C@@H]1C ZINC000522078664 858589829 /nfs/dbraw/zinc/58/98/29/858589829.db2.gz NLWOKPUAEXBORY-FESBUIRDSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000522078664 858589835 /nfs/dbraw/zinc/58/98/35/858589835.db2.gz NLWOKPUAEXBORY-FESBUIRDSA-N 2 1 398.595 3.744 20 0 GHADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000522078664 858589840 /nfs/dbraw/zinc/58/98/40/858589840.db2.gz NLWOKPUAEXBORY-FESBUIRDSA-N 2 1 398.595 3.744 20 0 GHADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000522102315 858628287 /nfs/dbraw/zinc/62/82/87/858628287.db2.gz NILQRCKVVUKACA-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000522102315 858628291 /nfs/dbraw/zinc/62/82/91/858628291.db2.gz NILQRCKVVUKACA-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)(C)[NH+]1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000522102315 858628295 /nfs/dbraw/zinc/62/82/95/858628295.db2.gz NILQRCKVVUKACA-FRIKZZABSA-N 2 1 398.595 3.698 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474058630 858741790 /nfs/dbraw/zinc/74/17/90/858741790.db2.gz YTBNLDCSJMHOGI-WPYKKVEZSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474058630 858741793 /nfs/dbraw/zinc/74/17/93/858741793.db2.gz YTBNLDCSJMHOGI-WPYKKVEZSA-N 2 1 398.595 3.870 20 0 GHADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474058630 858741802 /nfs/dbraw/zinc/74/18/02/858741802.db2.gz YTBNLDCSJMHOGI-WPYKKVEZSA-N 2 1 398.595 3.870 20 0 GHADMP Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)c1 ZINC000676716224 858775100 /nfs/dbraw/zinc/77/51/00/858775100.db2.gz SIZQJNZCAHJBPT-NJDAHSKKSA-N 2 1 387.568 3.514 20 0 GHADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000474078052 858784543 /nfs/dbraw/zinc/78/45/43/858784543.db2.gz FFQPNUONNZQFMH-WMZHIEFXSA-N 2 1 380.532 3.774 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000183685892 858796776 /nfs/dbraw/zinc/79/67/76/858796776.db2.gz CENNROMRCBIMGV-INIZCTEOSA-N 2 1 396.922 3.844 20 0 GHADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)C1 ZINC000522230159 858856722 /nfs/dbraw/zinc/85/67/22/858856722.db2.gz QYIOVINBCMGDIX-WOJBJXKFSA-N 2 1 386.584 3.681 20 0 GHADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@H](C)N(Cc4ccccc4)C3)CCCC2)CC1 ZINC000499685867 858896267 /nfs/dbraw/zinc/89/62/67/858896267.db2.gz QZUOXOCRNWGCRT-RBBKRZOGSA-N 2 1 385.596 3.663 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c2cccc(Br)c21 ZINC000482872128 858929045 /nfs/dbraw/zinc/92/90/45/858929045.db2.gz BEKNNMRPHITLFB-HDMKZQKVSA-N 2 1 381.358 3.680 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc4ccncc4s3)C2)ccn1 ZINC000856548451 881361566 /nfs/dbraw/zinc/36/15/66/881361566.db2.gz FYAYVLAUYQEBHF-LJQANCHMSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc4ccncc4s3)C2)ccn1 ZINC000856548451 881361578 /nfs/dbraw/zinc/36/15/78/881361578.db2.gz FYAYVLAUYQEBHF-LJQANCHMSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc4ccncc4s3)C2)ccn1 ZINC000856548451 881361596 /nfs/dbraw/zinc/36/15/96/881361596.db2.gz FYAYVLAUYQEBHF-LJQANCHMSA-N 2 1 382.533 3.796 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3)C2)ccn1 ZINC000856550823 881370581 /nfs/dbraw/zinc/37/05/81/881370581.db2.gz HVKFIPJDEPWWQD-HXUWFJFHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3)C2)ccn1 ZINC000856550823 881370603 /nfs/dbraw/zinc/37/06/03/881370603.db2.gz HVKFIPJDEPWWQD-HXUWFJFHSA-N 2 1 377.891 3.979 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443587286 858985903 /nfs/dbraw/zinc/98/59/03/858985903.db2.gz DXLJVXOXIPKXDB-INIZCTEOSA-N 2 1 379.495 3.880 20 0 GHADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)cc(Cl)c3)C2)ccn1 ZINC000856550823 881370545 /nfs/dbraw/zinc/37/05/45/881370545.db2.gz HVKFIPJDEPWWQD-HXUWFJFHSA-N 2 1 377.891 3.979 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(F)cc(Cl)c3)C2)ccn1 ZINC000856550823 881370564 /nfs/dbraw/zinc/37/05/64/881370564.db2.gz HVKFIPJDEPWWQD-HXUWFJFHSA-N 2 1 377.891 3.979 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000466292452 859009146 /nfs/dbraw/zinc/00/91/46/859009146.db2.gz ANXQKTVIPPYQIO-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000466292452 859009156 /nfs/dbraw/zinc/00/91/56/859009156.db2.gz ANXQKTVIPPYQIO-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466292452 859009164 /nfs/dbraw/zinc/00/91/64/859009164.db2.gz ANXQKTVIPPYQIO-NFBKMPQASA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000483007712 859056865 /nfs/dbraw/zinc/05/68/65/859056865.db2.gz FIYDLAUQCNPCGJ-SNWXZZBVSA-N 2 1 398.595 3.746 20 0 GHADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC000483002307 859062407 /nfs/dbraw/zinc/06/24/07/859062407.db2.gz UPSAJCUNKYUPHA-IRLDBZIGSA-N 2 1 384.568 3.663 20 0 GHADMP CC(C)c1ccc(CCNC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185718680 859120402 /nfs/dbraw/zinc/12/04/02/859120402.db2.gz DIKNJCSASSELDS-SIKLNZKXSA-N 2 1 385.596 3.711 20 0 GHADMP CC(C)c1ccc(CCNC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185718680 859120410 /nfs/dbraw/zinc/12/04/10/859120410.db2.gz DIKNJCSASSELDS-SIKLNZKXSA-N 2 1 385.596 3.711 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738513 859124040 /nfs/dbraw/zinc/12/40/40/859124040.db2.gz GSGVEIXPTFLVKC-JMDAGXMHSA-N 2 1 375.601 3.799 20 0 GHADMP C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738513 859124045 /nfs/dbraw/zinc/12/40/45/859124045.db2.gz GSGVEIXPTFLVKC-JMDAGXMHSA-N 2 1 375.601 3.799 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000483083931 859133835 /nfs/dbraw/zinc/13/38/35/859133835.db2.gz MFRGLJXEHFNDMB-NBGIEHNGSA-N 2 1 391.559 3.769 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000483083931 859133839 /nfs/dbraw/zinc/13/38/39/859133839.db2.gz MFRGLJXEHFNDMB-NBGIEHNGSA-N 2 1 391.559 3.769 20 0 GHADMP C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000711504829 859160893 /nfs/dbraw/zinc/16/08/93/859160893.db2.gz KNPFSHSTEPNQIX-MJUUVYJYSA-N 2 1 387.568 3.790 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[C@H](C)C1 ZINC000483133946 859172054 /nfs/dbraw/zinc/17/20/54/859172054.db2.gz JXORRTSHPZYFLW-LGVFNWMJSA-N 2 1 387.612 3.939 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483248682 859240411 /nfs/dbraw/zinc/24/04/11/859240411.db2.gz RDXAJRZSPMQKRH-HEFCMCLBSA-N 2 1 376.447 3.908 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483248682 859240413 /nfs/dbraw/zinc/24/04/13/859240413.db2.gz RDXAJRZSPMQKRH-HEFCMCLBSA-N 2 1 376.447 3.908 20 0 GHADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)CC1 ZINC000466720953 859285318 /nfs/dbraw/zinc/28/53/18/859285318.db2.gz BTOXVHHXQLQUIR-KRWDZBQOSA-N 2 1 393.597 3.558 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)[NH+](C)Cc1ccccc1 ZINC000550571368 859299062 /nfs/dbraw/zinc/29/90/62/859299062.db2.gz VIPAQRLRIILAIK-KBAYOESNSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000550571368 859299071 /nfs/dbraw/zinc/29/90/71/859299071.db2.gz VIPAQRLRIILAIK-KBAYOESNSA-N 2 1 399.501 3.532 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000550571368 859299080 /nfs/dbraw/zinc/29/90/80/859299080.db2.gz VIPAQRLRIILAIK-KBAYOESNSA-N 2 1 399.501 3.532 20 0 GHADMP COc1cccc(COCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000499187109 881405532 /nfs/dbraw/zinc/40/55/32/881405532.db2.gz DEAGPOZJJXSUGX-WBDAEOGXSA-N 2 1 380.532 3.997 20 0 GHADMP Clc1ccccc1Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000479965590 859326051 /nfs/dbraw/zinc/32/60/51/859326051.db2.gz VVOHWJURLFGFGW-BGYRXZFFSA-N 2 1 392.934 3.903 20 0 GHADMP Clc1ccccc1Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)n1 ZINC000479965590 859326057 /nfs/dbraw/zinc/32/60/57/859326057.db2.gz VVOHWJURLFGFGW-BGYRXZFFSA-N 2 1 392.934 3.903 20 0 GHADMP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000194956780 859336645 /nfs/dbraw/zinc/33/66/45/859336645.db2.gz QMOBXZJJVWMTKB-NFBKMPQASA-N 2 1 380.532 3.819 20 0 GHADMP Fc1cccc(OCc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)c1 ZINC000655779883 859372831 /nfs/dbraw/zinc/37/28/31/859372831.db2.gz TWKCDFKQDDIRQF-QFIPXVFZSA-N 2 1 384.495 3.748 20 0 GHADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000114023097 859452638 /nfs/dbraw/zinc/45/26/38/859452638.db2.gz RUPLLJMLKKOPDY-PMACEKPBSA-N 2 1 395.551 3.668 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc2c1OCO2 ZINC000509444045 859457863 /nfs/dbraw/zinc/45/78/63/859457863.db2.gz KRDXJWMMJNJFMA-OAQYLSRUSA-N 2 1 382.504 3.814 20 0 GHADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc2c1OCO2 ZINC000509444045 859457866 /nfs/dbraw/zinc/45/78/66/859457866.db2.gz KRDXJWMMJNJFMA-OAQYLSRUSA-N 2 1 382.504 3.814 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(F)c3F)C2)ccn1 ZINC000856558705 881426726 /nfs/dbraw/zinc/42/67/26/881426726.db2.gz ATDWQVASLZFYII-IBGZPJMESA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(F)c3F)C2)ccn1 ZINC000856558705 881426750 /nfs/dbraw/zinc/42/67/50/881426750.db2.gz ATDWQVASLZFYII-IBGZPJMESA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)ccn1 ZINC000856558705 881426785 /nfs/dbraw/zinc/42/67/85/881426785.db2.gz ATDWQVASLZFYII-IBGZPJMESA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)ccn1 ZINC000856558705 881426816 /nfs/dbraw/zinc/42/68/16/881426816.db2.gz ATDWQVASLZFYII-IBGZPJMESA-N 2 1 375.463 3.853 20 0 GHADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000486479181 859524217 /nfs/dbraw/zinc/52/42/17/859524217.db2.gz NRJVFTCRKGRANC-CQSZACIVSA-N 2 1 379.426 3.943 20 0 GHADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000486479181 859524221 /nfs/dbraw/zinc/52/42/21/859524221.db2.gz NRJVFTCRKGRANC-CQSZACIVSA-N 2 1 379.426 3.943 20 0 GHADMP Cc1cccc2ncc(C[NH+]3CC[C@H](Oc4ccnc(C[N@H+](C)C(C)C)c4)C3)n21 ZINC000856561009 881442484 /nfs/dbraw/zinc/44/24/84/881442484.db2.gz QZNKOXQZUHGDOA-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2ncc(C[N@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)n21 ZINC000856561009 881442487 /nfs/dbraw/zinc/44/24/87/881442487.db2.gz QZNKOXQZUHGDOA-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP Cc1cccc2ncc(C[N@@H+]3CC[C@H](Oc4ccnc(C[NH+](C)C(C)C)c4)C3)n21 ZINC000856561009 881442490 /nfs/dbraw/zinc/44/24/90/881442490.db2.gz QZNKOXQZUHGDOA-QFIPXVFZSA-N 2 1 393.535 3.531 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(OC)c1 ZINC000856561797 881468601 /nfs/dbraw/zinc/46/86/01/881468601.db2.gz RISVMXZOJLFBOC-QFIPXVFZSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(OC)c1 ZINC000856561797 881468607 /nfs/dbraw/zinc/46/86/07/881468607.db2.gz RISVMXZOJLFBOC-QFIPXVFZSA-N 2 1 399.535 3.592 20 0 GHADMP COc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(OC)c1 ZINC000856561797 881468612 /nfs/dbraw/zinc/46/86/12/881468612.db2.gz RISVMXZOJLFBOC-QFIPXVFZSA-N 2 1 399.535 3.592 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000856561558 881468778 /nfs/dbraw/zinc/46/87/78/881468778.db2.gz PIXFOOBVSPUPHW-LJQANCHMSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000856561558 881468785 /nfs/dbraw/zinc/46/87/85/881468785.db2.gz PIXFOOBVSPUPHW-LJQANCHMSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000856561558 881468791 /nfs/dbraw/zinc/46/87/91/881468791.db2.gz PIXFOOBVSPUPHW-LJQANCHMSA-N 2 1 375.463 3.853 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)ccn1 ZINC000856561558 881468798 /nfs/dbraw/zinc/46/87/98/881468798.db2.gz PIXFOOBVSPUPHW-LJQANCHMSA-N 2 1 375.463 3.853 20 0 GHADMP C[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)s1 ZINC000484175904 859848694 /nfs/dbraw/zinc/84/86/94/859848694.db2.gz SDJWHSFWAACEMJ-KSSFIOAISA-N 2 1 395.366 3.798 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000499804611 859854754 /nfs/dbraw/zinc/85/47/54/859854754.db2.gz ZVSJOLKROAHQIQ-VQTJNVASSA-N 2 1 398.595 3.698 20 0 GHADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Oc3ccc(F)cc3)nc1)C2 ZINC000922390507 859886446 /nfs/dbraw/zinc/88/64/46/859886446.db2.gz NJQNSFPUUNBERD-SCPDWHHUSA-N 2 1 399.510 3.582 20 0 GHADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000474348230 859894753 /nfs/dbraw/zinc/89/47/53/859894753.db2.gz UPCLPONKQZWVRO-QHCPKHFHSA-N 2 1 395.522 3.525 20 0 GHADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000474348230 859894761 /nfs/dbraw/zinc/89/47/61/859894761.db2.gz UPCLPONKQZWVRO-QHCPKHFHSA-N 2 1 395.522 3.525 20 0 GHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000474348230 859894779 /nfs/dbraw/zinc/89/47/79/859894779.db2.gz UPCLPONKQZWVRO-QHCPKHFHSA-N 2 1 395.522 3.525 20 0 GHADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000474348230 859894789 /nfs/dbraw/zinc/89/47/89/859894789.db2.gz UPCLPONKQZWVRO-QHCPKHFHSA-N 2 1 395.522 3.525 20 0 GHADMP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000474470603 860152244 /nfs/dbraw/zinc/15/22/44/860152244.db2.gz DZLBINJPOJSJCQ-OLMNPRSZSA-N 2 1 398.332 3.829 20 0 GHADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000533820149 860239307 /nfs/dbraw/zinc/23/93/07/860239307.db2.gz TYBXGKCAPWAIJP-JOCHJYFZSA-N 2 1 380.536 3.513 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000533820149 860239311 /nfs/dbraw/zinc/23/93/11/860239311.db2.gz TYBXGKCAPWAIJP-JOCHJYFZSA-N 2 1 380.536 3.513 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000533820149 860239315 /nfs/dbraw/zinc/23/93/15/860239315.db2.gz TYBXGKCAPWAIJP-JOCHJYFZSA-N 2 1 380.536 3.513 20 0 GHADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533820149 860239319 /nfs/dbraw/zinc/23/93/19/860239319.db2.gz TYBXGKCAPWAIJP-JOCHJYFZSA-N 2 1 380.536 3.513 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000533875693 860244096 /nfs/dbraw/zinc/24/40/96/860244096.db2.gz DVGIAOIMYKENBR-NRFANRHFSA-N 2 1 396.535 3.715 20 0 GHADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000533875693 860244104 /nfs/dbraw/zinc/24/41/04/860244104.db2.gz DVGIAOIMYKENBR-NRFANRHFSA-N 2 1 396.535 3.715 20 0 GHADMP Clc1cccc2c1C[C@@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001168729569 860293748 /nfs/dbraw/zinc/29/37/48/860293748.db2.gz COJPGZCVVGUALY-SFHVURJKSA-N 2 1 384.955 3.548 20 0 GHADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000904515088 860486255 /nfs/dbraw/zinc/48/62/55/860486255.db2.gz IDXSSDSSHAXWAW-NWSQWKLXSA-N 2 1 390.531 3.712 20 0 GHADMP C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000904645875 860543087 /nfs/dbraw/zinc/54/30/87/860543087.db2.gz DVEYTBBFMLFFFT-KXBFYZLASA-N 2 1 390.890 3.752 20 0 GHADMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168556257 860605609 /nfs/dbraw/zinc/60/56/09/860605609.db2.gz AOCPWKCVMAQPRC-JKSUJKDBSA-N 2 1 393.494 3.735 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156057456 860669012 /nfs/dbraw/zinc/66/90/12/860669012.db2.gz JXKSHJBDLDIMGW-QFIPXVFZSA-N 2 1 386.584 3.687 20 0 GHADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCOc3ccccc3Cl)C2)ccn1 ZINC000856593068 881566840 /nfs/dbraw/zinc/56/68/40/881566840.db2.gz MROHFJVKGYPCHQ-IBGZPJMESA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCOc3ccccc3Cl)C2)ccn1 ZINC000856593068 881566843 /nfs/dbraw/zinc/56/68/43/881566843.db2.gz MROHFJVKGYPCHQ-IBGZPJMESA-N 2 1 389.927 3.719 20 0 GHADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCOc3ccccc3Cl)C2)ccn1 ZINC000856593068 881566848 /nfs/dbraw/zinc/56/68/48/881566848.db2.gz MROHFJVKGYPCHQ-IBGZPJMESA-N 2 1 389.927 3.719 20 0 GHADMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4cc(F)ccc4o3)C2)ccn1 ZINC000856599417 881572756 /nfs/dbraw/zinc/57/27/56/881572756.db2.gz IQOZKJLTDZEFET-LJQANCHMSA-N 2 1 398.482 3.855 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc4cc(F)ccc4o3)C2)ccn1 ZINC000856599417 881572774 /nfs/dbraw/zinc/57/27/74/881572774.db2.gz IQOZKJLTDZEFET-LJQANCHMSA-N 2 1 398.482 3.855 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc4cc(F)ccc4o3)C2)ccn1 ZINC000856599417 881572792 /nfs/dbraw/zinc/57/27/92/881572792.db2.gz IQOZKJLTDZEFET-LJQANCHMSA-N 2 1 398.482 3.855 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)ccn1 ZINC000856599417 881572806 /nfs/dbraw/zinc/57/28/06/881572806.db2.gz IQOZKJLTDZEFET-LJQANCHMSA-N 2 1 398.482 3.855 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCOc3ccccc3)C2)ccn1 ZINC000856600056 881574109 /nfs/dbraw/zinc/57/41/09/881574109.db2.gz VVDCFORBRRGERN-HSZRJFAPSA-N 2 1 383.536 3.844 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCOc3ccccc3)C2)ccn1 ZINC000856600056 881574122 /nfs/dbraw/zinc/57/41/22/881574122.db2.gz VVDCFORBRRGERN-HSZRJFAPSA-N 2 1 383.536 3.844 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCOc3ccccc3)C2)ccn1 ZINC000856600056 881574138 /nfs/dbraw/zinc/57/41/38/881574138.db2.gz VVDCFORBRRGERN-HSZRJFAPSA-N 2 1 383.536 3.844 20 0 GHADMP COc1ccc(CC[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856600382 881576017 /nfs/dbraw/zinc/57/60/17/881576017.db2.gz ZAVRUOGGVDLEPE-QHCPKHFHSA-N 2 1 383.536 3.626 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856600382 881576028 /nfs/dbraw/zinc/57/60/28/881576028.db2.gz ZAVRUOGGVDLEPE-QHCPKHFHSA-N 2 1 383.536 3.626 20 0 GHADMP COc1ccc(CC[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856600382 881576034 /nfs/dbraw/zinc/57/60/34/881576034.db2.gz ZAVRUOGGVDLEPE-QHCPKHFHSA-N 2 1 383.536 3.626 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599787 881576187 /nfs/dbraw/zinc/57/61/87/881576187.db2.gz SPGVYEFRZPDTHB-PTUXOGIPSA-N 2 1 389.584 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599787 881576191 /nfs/dbraw/zinc/57/61/91/881576191.db2.gz SPGVYEFRZPDTHB-PTUXOGIPSA-N 2 1 389.584 3.970 20 0 GHADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@H]3CCCC[C@H]3C)C2)ccn1 ZINC000856599787 881576210 /nfs/dbraw/zinc/57/62/10/881576210.db2.gz SPGVYEFRZPDTHB-PTUXOGIPSA-N 2 1 389.584 3.970 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)CC1 ZINC000114475870 881585483 /nfs/dbraw/zinc/58/54/83/881585483.db2.gz BILSIYJLGGYEAD-UHFFFAOYSA-N 2 1 399.535 3.695 20 0 GHADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000669691637 860978056 /nfs/dbraw/zinc/97/80/56/860978056.db2.gz KDPCDZYLYJADFW-OXQOHEQNSA-N 2 1 383.502 3.909 20 0 GHADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1Cl ZINC000557038976 881606747 /nfs/dbraw/zinc/60/67/47/881606747.db2.gz UKGUKURTSMMNFH-GOSISDBHSA-N 2 1 390.890 3.549 20 0 GHADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OCc3cn4ccccc4n3)c2)C1 ZINC000481328980 861077628 /nfs/dbraw/zinc/07/76/28/861077628.db2.gz WFEZYCDKAJHBEH-RTBURBONSA-N 2 1 378.520 3.906 20 0 GHADMP CCOC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000600132495 861090374 /nfs/dbraw/zinc/09/03/74/861090374.db2.gz KSAGGGUOSORARW-SEJPIABJSA-N 2 1 379.504 3.544 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)CC1(C)C ZINC000623495760 861136060 /nfs/dbraw/zinc/13/60/60/861136060.db2.gz RHFJQGDJPXHCLT-INIZCTEOSA-N 2 1 397.485 3.772 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2cnc(C(F)(F)F)s2)[C@@H](c2ccccc2)C1 ZINC000443987364 863104800 /nfs/dbraw/zinc/10/48/00/863104800.db2.gz XRIGRAWSJPAADZ-QGZVFWFLSA-N 2 1 398.498 3.630 20 0 GHADMP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532270283 881643945 /nfs/dbraw/zinc/64/39/45/881643945.db2.gz XYAOYGADTSCMKY-DHIUTWEWSA-N 2 1 380.532 3.830 20 0 GHADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C(F)(F)F)c1 ZINC000482566807 863323099 /nfs/dbraw/zinc/32/30/99/863323099.db2.gz RUMCEJARUHRZLF-AEFFLSMTSA-N 2 1 385.474 3.724 20 0 GHADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255939 863327084 /nfs/dbraw/zinc/32/70/84/863327084.db2.gz XTHMZCDYGJRFBF-NEWJYFPISA-N 2 1 395.591 3.668 20 0 GHADMP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255939 863327094 /nfs/dbraw/zinc/32/70/94/863327094.db2.gz XTHMZCDYGJRFBF-NEWJYFPISA-N 2 1 395.591 3.668 20 0 GHADMP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000624255939 863327105 /nfs/dbraw/zinc/32/71/05/863327105.db2.gz XTHMZCDYGJRFBF-NEWJYFPISA-N 2 1 395.591 3.668 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)o1 ZINC000606208463 863463641 /nfs/dbraw/zinc/46/36/41/863463641.db2.gz FKOMKKZPVPZIPO-ROUUACIJSA-N 2 1 399.535 3.983 20 0 GHADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)sc1C ZINC000183149130 863487006 /nfs/dbraw/zinc/48/70/06/863487006.db2.gz HFJPWIWHLZGDLW-KGLIPLIRSA-N 2 1 383.521 3.932 20 0 GHADMP C[N@@H+]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000062529192 863538126 /nfs/dbraw/zinc/53/81/26/863538126.db2.gz ZSNPVDCPKKUZQX-HSZRJFAPSA-N 2 1 398.595 3.729 20 0 GHADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000062529192 863538137 /nfs/dbraw/zinc/53/81/37/863538137.db2.gz ZSNPVDCPKKUZQX-HSZRJFAPSA-N 2 1 398.595 3.729 20 0 GHADMP C[N@H+](CCC(=O)Nc1cccc(Br)c1)CC[C@H]1CCCC[NH+]1C ZINC000444173510 863590783 /nfs/dbraw/zinc/59/07/83/863590783.db2.gz ZYVINEUZQIVMEA-QGZVFWFLSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1cccc(Br)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000444173510 863590795 /nfs/dbraw/zinc/59/07/95/863590795.db2.gz ZYVINEUZQIVMEA-QGZVFWFLSA-N 2 1 382.346 3.584 20 0 GHADMP C[NH+](CCC(=O)Nc1cccc(Br)c1)CC[C@H]1CCCC[N@H+]1C ZINC000444173510 863590807 /nfs/dbraw/zinc/59/08/07/863590807.db2.gz ZYVINEUZQIVMEA-QGZVFWFLSA-N 2 1 382.346 3.584 20 0 GHADMP C[N@H+]1CCC[C@@H](c2cccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)c2)C1 ZINC000856721482 881686900 /nfs/dbraw/zinc/68/69/00/881686900.db2.gz LBFOTBMOZHCTQX-NHCUHLMSSA-N 2 1 381.520 3.656 20 0 GHADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606628012 863720959 /nfs/dbraw/zinc/72/09/59/863720959.db2.gz OCWDGVYQOACPQZ-UHFFFAOYSA-N 2 1 398.595 3.832 20 0 GHADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606623173 863741050 /nfs/dbraw/zinc/74/10/50/863741050.db2.gz BJGMAVWHZKRQLD-LJQANCHMSA-N 2 1 390.597 3.545 20 0 GHADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)cc2)C1 ZINC000465572611 863912415 /nfs/dbraw/zinc/91/24/15/863912415.db2.gz KCZJFMZRFQRAMY-JJXTWPQTSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc2)C1 ZINC000465572611 863912427 /nfs/dbraw/zinc/91/24/27/863912427.db2.gz KCZJFMZRFQRAMY-JJXTWPQTSA-N 2 1 398.595 3.733 20 0 GHADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2)C1 ZINC000465572611 863912439 /nfs/dbraw/zinc/91/24/39/863912439.db2.gz KCZJFMZRFQRAMY-JJXTWPQTSA-N 2 1 398.595 3.733 20 0 GHADMP Cc1ccsc1CNC(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103142898 863933090 /nfs/dbraw/zinc/93/30/90/863933090.db2.gz VFZPMFARCGVLMD-UHFFFAOYSA-N 2 1 385.577 3.517 20 0 GHADMP Cc1ccsc1CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103142898 863933098 /nfs/dbraw/zinc/93/30/98/863933098.db2.gz VFZPMFARCGVLMD-UHFFFAOYSA-N 2 1 385.577 3.517 20 0 GHADMP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103143087 863933902 /nfs/dbraw/zinc/93/39/02/863933902.db2.gz PBACSVBHVXJOLC-SFHVURJKSA-N 2 1 385.577 3.597 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000532298544 881713310 /nfs/dbraw/zinc/71/33/10/881713310.db2.gz ICQLWDYUQBPXMW-WMLDXEAASA-N 2 1 377.579 3.684 20 0 GHADMP C[C@H]1CC([N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054771 863985273 /nfs/dbraw/zinc/98/52/73/863985273.db2.gz BEQWHEIEOIWSDY-GWOFKNCZSA-N 2 1 399.579 3.979 20 0 GHADMP C[C@@H]1CC([N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054803 863985362 /nfs/dbraw/zinc/98/53/62/863985362.db2.gz BIGSYZJWMWVELE-LZJOCLMNSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1CC([N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168054803 863985372 /nfs/dbraw/zinc/98/53/72/863985372.db2.gz BIGSYZJWMWVELE-LZJOCLMNSA-N 2 1 384.499 3.510 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168054776 863985522 /nfs/dbraw/zinc/98/55/22/863985522.db2.gz BEQWHEIEOIWSDY-RXRQOCSWSA-N 2 1 399.579 3.979 20 0 GHADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054776 863985531 /nfs/dbraw/zinc/98/55/31/863985531.db2.gz BEQWHEIEOIWSDY-RXRQOCSWSA-N 2 1 399.579 3.979 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168054776 863985541 /nfs/dbraw/zinc/98/55/41/863985541.db2.gz BEQWHEIEOIWSDY-RXRQOCSWSA-N 2 1 399.579 3.979 20 0 GHADMP CCN(C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159069586 864023319 /nfs/dbraw/zinc/02/33/19/864023319.db2.gz CKSMFEDLJBXCDB-HSZRJFAPSA-N 2 1 394.563 3.554 20 0 GHADMP c1nc(C2OCCO2)sc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898519494 864079928 /nfs/dbraw/zinc/07/99/28/864079928.db2.gz PIUHRDOLVKBIHC-CEXWTWQISA-N 2 1 399.560 3.579 20 0 GHADMP COc1cc(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000621391859 864115519 /nfs/dbraw/zinc/11/55/19/864115519.db2.gz WVMXXNMVSOKZAM-RXVVDRJESA-N 2 1 398.547 3.985 20 0 GHADMP COc1cc(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(OC)c1O ZINC000621391859 864115529 /nfs/dbraw/zinc/11/55/29/864115529.db2.gz WVMXXNMVSOKZAM-RXVVDRJESA-N 2 1 398.547 3.985 20 0 GHADMP C[N@@H+](CCNC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)C1CCCC1 ZINC000475129222 864246616 /nfs/dbraw/zinc/24/66/16/864246616.db2.gz PMIGTELGRYGPAN-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000475129222 864246623 /nfs/dbraw/zinc/24/66/23/864246623.db2.gz PMIGTELGRYGPAN-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP C[NH+](CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCCC1 ZINC000475129222 864246633 /nfs/dbraw/zinc/24/66/33/864246633.db2.gz PMIGTELGRYGPAN-XMMPIXPASA-N 2 1 398.595 3.559 20 0 GHADMP CCN(C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475171952 864394220 /nfs/dbraw/zinc/39/42/20/864394220.db2.gz GFYGJWGXFVARMJ-IRLDBZIGSA-N 2 1 386.584 3.557 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645515183 864548084 /nfs/dbraw/zinc/54/80/84/864548084.db2.gz SEOOSLDACPPNSM-IBGZPJMESA-N 2 1 394.563 3.717 20 0 GHADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000607729196 864657943 /nfs/dbraw/zinc/65/79/43/864657943.db2.gz CNHKRWFCLKVCQP-FQEVSTJZSA-N 2 1 377.960 3.888 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000607729196 864657944 /nfs/dbraw/zinc/65/79/44/864657944.db2.gz CNHKRWFCLKVCQP-FQEVSTJZSA-N 2 1 377.960 3.888 20 0 GHADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+]1CCCC1 ZINC000165337024 864663146 /nfs/dbraw/zinc/66/31/46/864663146.db2.gz HERFMGDIUYNKBO-ROUUACIJSA-N 2 1 378.582 3.785 20 0 GHADMP CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475277906 864683634 /nfs/dbraw/zinc/68/36/34/864683634.db2.gz ZJFXBQNCSSQNJY-HSZRJFAPSA-N 2 1 398.595 3.699 20 0 GHADMP COCC[N@@H+](C)CC[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000165994688 864706733 /nfs/dbraw/zinc/70/67/33/864706733.db2.gz SSGIKDMCIOUUCG-NQIIRXRSSA-N 2 1 384.520 3.818 20 0 GHADMP CC(C)Cc1cccc([C@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000622326023 864925524 /nfs/dbraw/zinc/92/55/24/864925524.db2.gz YNLOSZKVFLMDMU-SFHVURJKSA-N 2 1 380.536 3.774 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000444345758 864981025 /nfs/dbraw/zinc/98/10/25/864981025.db2.gz QUPHDQQOIIKGHM-FHWLQOOXSA-N 2 1 397.567 3.909 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)COc3ccccc3C)C2)s1 ZINC000554851188 865042983 /nfs/dbraw/zinc/04/29/83/865042983.db2.gz AOQQXDGSIHQUDN-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3ccccc3C)C2)s1 ZINC000554851188 865042988 /nfs/dbraw/zinc/04/29/88/865042988.db2.gz AOQQXDGSIHQUDN-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3ccccc3C)C2)s1 ZINC000554851188 865042995 /nfs/dbraw/zinc/04/29/95/865042995.db2.gz AOQQXDGSIHQUDN-PMACEKPBSA-N 2 1 388.577 3.559 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000169194849 865081270 /nfs/dbraw/zinc/08/12/70/865081270.db2.gz VBBDROYGMBAHDQ-SVMVAKDDSA-N 2 1 381.520 3.715 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CC[C@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000169194849 865081278 /nfs/dbraw/zinc/08/12/78/865081278.db2.gz VBBDROYGMBAHDQ-SVMVAKDDSA-N 2 1 381.520 3.715 20 0 GHADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000480692963 865098364 /nfs/dbraw/zinc/09/83/64/865098364.db2.gz BEGJYDIETSLCSH-RTWAWAEBSA-N 2 1 375.601 3.612 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)o1 ZINC000608254025 865158852 /nfs/dbraw/zinc/15/88/52/865158852.db2.gz QNDGJDRXTKEZEC-LJQANCHMSA-N 2 1 383.536 3.858 20 0 GHADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000667736930 865184494 /nfs/dbraw/zinc/18/44/94/865184494.db2.gz YNMZAZGJCBAEAC-ILWGZMRPSA-N 2 1 378.520 3.568 20 0 GHADMP COc1cccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)c1 ZINC000480804631 865313857 /nfs/dbraw/zinc/31/38/57/865313857.db2.gz ONQXTSBFZCBQQK-REWPJTCUSA-N 2 1 399.579 3.603 20 0 GHADMP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000133011915 881865391 /nfs/dbraw/zinc/86/53/91/881865391.db2.gz YSPSRUTZMUYIRN-IFXJQAMLSA-N 2 1 383.458 3.568 20 0 GHADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301790559 865537429 /nfs/dbraw/zinc/53/74/29/865537429.db2.gz NGDAWTUQDCZQBO-QGZVFWFLSA-N 2 1 392.469 3.860 20 0 GHADMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301790559 865537436 /nfs/dbraw/zinc/53/74/36/865537436.db2.gz NGDAWTUQDCZQBO-QGZVFWFLSA-N 2 1 392.469 3.860 20 0 GHADMP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1OCc1cccnc1 ZINC000128490713 865559974 /nfs/dbraw/zinc/55/99/74/865559974.db2.gz NVNAYWGQMVDSIF-UHFFFAOYSA-N 2 1 383.536 3.879 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccco1 ZINC000608655901 865563694 /nfs/dbraw/zinc/56/36/94/865563694.db2.gz UNDYMUVBDFBREA-SFTDATJTSA-N 2 1 398.551 3.578 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC000608699674 865603073 /nfs/dbraw/zinc/60/30/73/865603073.db2.gz SDKUNHLJSHKVLQ-NRFANRHFSA-N 2 1 398.551 3.584 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000608699674 865603079 /nfs/dbraw/zinc/60/30/79/865603079.db2.gz SDKUNHLJSHKVLQ-NRFANRHFSA-N 2 1 398.551 3.584 20 0 GHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481164966 865904420 /nfs/dbraw/zinc/90/44/20/865904420.db2.gz ILPPJQRJMCSHFB-XXBNENTESA-N 2 1 397.538 3.674 20 0 GHADMP CCN(Cc1cccc(F)c1)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481164966 865904423 /nfs/dbraw/zinc/90/44/23/865904423.db2.gz ILPPJQRJMCSHFB-XXBNENTESA-N 2 1 397.538 3.674 20 0 GHADMP C[C@](O)(CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12)C[NH+]1CCOCC1 ZINC000302873455 865966520 /nfs/dbraw/zinc/96/65/20/865966520.db2.gz CSHGHNHZZLCYSF-QHCPKHFHSA-N 2 1 393.487 3.522 20 0 GHADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000534020236 865988907 /nfs/dbraw/zinc/98/89/07/865988907.db2.gz MTAPHTJLRARJEH-PKTZIBPZSA-N 2 1 395.547 3.582 20 0 GHADMP c1cn([C@@H]2CCC[NH+](CCCCCC[N@H+]3CCC[C@@H](n4ccnc4)C3)C2)cn1 ZINC000740877076 866060034 /nfs/dbraw/zinc/06/00/34/866060034.db2.gz XXXGAIRLXZRYGD-FGZHOGPDSA-N 2 1 384.572 3.614 20 0 GHADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000667846801 866089220 /nfs/dbraw/zinc/08/92/20/866089220.db2.gz NQQOSKCQUNYJSZ-ACIOBRDBSA-N 2 1 392.547 3.828 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534207748 866273881 /nfs/dbraw/zinc/27/38/81/866273881.db2.gz ZOFPHMSEYQDSHX-VQIMIIECSA-N 2 1 398.954 3.503 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534207748 866273888 /nfs/dbraw/zinc/27/38/88/866273888.db2.gz ZOFPHMSEYQDSHX-VQIMIIECSA-N 2 1 398.954 3.503 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534207748 866273904 /nfs/dbraw/zinc/27/39/04/866273904.db2.gz ZOFPHMSEYQDSHX-VQIMIIECSA-N 2 1 398.954 3.503 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)C2)CC1 ZINC000639756658 866296279 /nfs/dbraw/zinc/29/62/79/866296279.db2.gz AXXMNRJIOJFGHA-QFIPXVFZSA-N 2 1 397.588 3.762 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534231826 866336791 /nfs/dbraw/zinc/33/67/91/866336791.db2.gz AKMZIJWBIXUTBO-HSZRJFAPSA-N 2 1 394.559 3.723 20 0 GHADMP O=C(OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)c1ccc2c[nH+]cn2c1 ZINC000793144200 881970123 /nfs/dbraw/zinc/97/01/23/881970123.db2.gz WQAFRCOHJZIYCW-HNNXBMFYSA-N 2 1 385.414 3.682 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000153470343 866498600 /nfs/dbraw/zinc/49/86/00/866498600.db2.gz MARXXVNIFZSZCM-PMACEKPBSA-N 2 1 398.547 3.783 20 0 GHADMP COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000153470343 866498611 /nfs/dbraw/zinc/49/86/11/866498611.db2.gz MARXXVNIFZSZCM-PMACEKPBSA-N 2 1 398.547 3.783 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553143619 866874226 /nfs/dbraw/zinc/87/42/26/866874226.db2.gz QCHHXGPHKKCSJP-URXFXBBRSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553143619 866874239 /nfs/dbraw/zinc/87/42/39/866874239.db2.gz QCHHXGPHKKCSJP-URXFXBBRSA-N 2 1 391.559 3.632 20 0 GHADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553143619 866874246 /nfs/dbraw/zinc/87/42/46/866874246.db2.gz QCHHXGPHKKCSJP-URXFXBBRSA-N 2 1 391.559 3.632 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000475607661 866888957 /nfs/dbraw/zinc/88/89/57/866888957.db2.gz XHWIEGDANMZPFP-OAHLLOKOSA-N 2 1 399.501 3.953 20 0 GHADMP C[C@@H]1CCC[C@@H](C)C1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000444589469 866910107 /nfs/dbraw/zinc/91/01/07/866910107.db2.gz BAAHYMCTAAESEY-RTBURBONSA-N 2 1 392.632 3.649 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000444592085 866916336 /nfs/dbraw/zinc/91/63/36/866916336.db2.gz DZZQNSVHZSZEOM-BZSNNMDCSA-N 2 1 383.540 3.661 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000444592085 866916348 /nfs/dbraw/zinc/91/63/48/866916348.db2.gz DZZQNSVHZSZEOM-BZSNNMDCSA-N 2 1 383.540 3.661 20 0 GHADMP C[NH+](C)Cc1cc(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)ccc1F ZINC000857127576 882034456 /nfs/dbraw/zinc/03/44/56/882034456.db2.gz SHGCXCXHKBIGQA-FQEVSTJZSA-N 2 1 383.511 3.627 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857138280 882044029 /nfs/dbraw/zinc/04/40/29/882044029.db2.gz PGEGAGIQDDYROD-RPWUZVMVSA-N 2 1 391.559 3.842 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857138280 882044049 /nfs/dbraw/zinc/04/40/49/882044049.db2.gz PGEGAGIQDDYROD-RPWUZVMVSA-N 2 1 391.559 3.842 20 0 GHADMP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857138280 882044069 /nfs/dbraw/zinc/04/40/69/882044069.db2.gz PGEGAGIQDDYROD-RPWUZVMVSA-N 2 1 391.559 3.842 20 0 GHADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)o1 ZINC000857150574 882058638 /nfs/dbraw/zinc/05/86/38/882058638.db2.gz BRIOGKOKUQOTEQ-OAQYLSRUSA-N 2 1 383.536 3.601 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000553339449 867227656 /nfs/dbraw/zinc/22/76/56/867227656.db2.gz HCODCVVKDBTKOT-HXUWFJFHSA-N 2 1 392.975 3.649 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165781 882072427 /nfs/dbraw/zinc/07/24/27/882072427.db2.gz ZKYQKOJNRIZBHV-YTFSRNRJSA-N 2 1 377.532 3.671 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165781 882072447 /nfs/dbraw/zinc/07/24/47/882072447.db2.gz ZKYQKOJNRIZBHV-YTFSRNRJSA-N 2 1 377.532 3.671 20 0 GHADMP C[NH+]1CC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)[C@H]1c1ccccc1 ZINC000857165781 882072457 /nfs/dbraw/zinc/07/24/57/882072457.db2.gz ZKYQKOJNRIZBHV-YTFSRNRJSA-N 2 1 377.532 3.671 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)[C@H](C)C1 ZINC000154459494 867414111 /nfs/dbraw/zinc/41/41/11/867414111.db2.gz QCKQWVCBQBGDGV-NQIIRXRSSA-N 2 1 384.568 3.527 20 0 GHADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccccc1Br ZINC000154550583 867458738 /nfs/dbraw/zinc/45/87/38/867458738.db2.gz UERMGZGVXPTKOS-LJQANCHMSA-N 2 1 382.390 3.908 20 0 GHADMP C[N@H+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000857197804 882108224 /nfs/dbraw/zinc/10/82/24/882108224.db2.gz DUSHBMXYNIKRSE-QPPBQGQZSA-N 2 1 391.559 3.748 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000857197804 882108233 /nfs/dbraw/zinc/10/82/33/882108233.db2.gz DUSHBMXYNIKRSE-QPPBQGQZSA-N 2 1 391.559 3.748 20 0 GHADMP C[NH+]1CCC[C@H](c2cccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000857197804 882108237 /nfs/dbraw/zinc/10/82/37/882108237.db2.gz DUSHBMXYNIKRSE-QPPBQGQZSA-N 2 1 391.559 3.748 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000479418430 867711323 /nfs/dbraw/zinc/71/13/23/867711323.db2.gz TYPNGTPOGQUWKN-SFHVURJKSA-N 2 1 392.632 3.982 20 0 GHADMP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000155109034 867754404 /nfs/dbraw/zinc/75/44/04/867754404.db2.gz ZPGYSTCUOHQORN-UNMCSNQZSA-N 2 1 388.600 3.800 20 0 GHADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534965331 867835681 /nfs/dbraw/zinc/83/56/81/867835681.db2.gz QZXBRVPNDQFSPS-IRLDBZIGSA-N 2 1 383.580 3.669 20 0 GHADMP Cc1cc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000535036592 867958251 /nfs/dbraw/zinc/95/82/51/867958251.db2.gz WTZGPFLPGQSKMT-IBGZPJMESA-N 2 1 377.410 3.513 20 0 GHADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000523855222 868108889 /nfs/dbraw/zinc/10/88/89/868108889.db2.gz CHMHWXWHJYMAIL-QHCPKHFHSA-N 2 1 381.564 3.711 20 0 GHADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000523855222 868108896 /nfs/dbraw/zinc/10/88/96/868108896.db2.gz CHMHWXWHJYMAIL-QHCPKHFHSA-N 2 1 381.564 3.711 20 0 GHADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000553805116 868256923 /nfs/dbraw/zinc/25/69/23/868256923.db2.gz UFJKPQVEAZKMSE-QTEQDKRBSA-N 2 1 398.595 3.687 20 0 GHADMP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000553807420 868260355 /nfs/dbraw/zinc/26/03/55/868260355.db2.gz RRPWQVUBXUTGJR-XMMPIXPASA-N 2 1 398.595 3.557 20 0 GHADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000479654817 868312273 /nfs/dbraw/zinc/31/22/73/868312273.db2.gz HYPKIXZEYIIZPY-VCOUNFBDSA-N 2 1 388.600 3.798 20 0 GHADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1OC ZINC000156955181 868513024 /nfs/dbraw/zinc/51/30/24/868513024.db2.gz CRBPEUAUQQRCFR-UNMCSNQZSA-N 2 1 395.547 3.633 20 0 GHADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[NH+](C)C4)cc2)C1 ZINC000457648351 868611741 /nfs/dbraw/zinc/61/17/41/868611741.db2.gz JYADDRVAHFSMFU-RDPSFJRHSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)C1 ZINC000457648351 868611746 /nfs/dbraw/zinc/61/17/46/868611746.db2.gz JYADDRVAHFSMFU-RDPSFJRHSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)C1 ZINC000457648351 868611754 /nfs/dbraw/zinc/61/17/54/868611754.db2.gz JYADDRVAHFSMFU-RDPSFJRHSA-N 2 1 398.595 3.546 20 0 GHADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554157971 868860486 /nfs/dbraw/zinc/86/04/86/868860486.db2.gz QHPPEBCJAJVSRD-FCEUIQTBSA-N 2 1 398.595 3.555 20 0 GHADMP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000524357018 868960785 /nfs/dbraw/zinc/96/07/85/868960785.db2.gz FWUJLOWRUYHBBT-LBPRGKRZSA-N 2 1 391.865 3.959 20 0 GHADMP C[N@@H+](CCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000542488322 882263774 /nfs/dbraw/zinc/26/37/74/882263774.db2.gz HSPSPTNZURPUGA-UHFFFAOYSA-N 2 1 393.575 3.927 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)c2)CCO1 ZINC000190868785 882291069 /nfs/dbraw/zinc/29/10/69/882291069.db2.gz WRRISQYEGRHHLJ-LJQANCHMSA-N 2 1 380.532 3.986 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)c2)CCO1 ZINC000190868785 882291085 /nfs/dbraw/zinc/29/10/85/882291085.db2.gz WRRISQYEGRHHLJ-LJQANCHMSA-N 2 1 380.532 3.986 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793586940 882292251 /nfs/dbraw/zinc/29/22/51/882292251.db2.gz GVTUVAPGCMQNPC-FQEVSTJZSA-N 2 1 390.959 3.518 20 0 GHADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC000793586940 882292265 /nfs/dbraw/zinc/29/22/65/882292265.db2.gz GVTUVAPGCMQNPC-FQEVSTJZSA-N 2 1 390.959 3.518 20 0 GHADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3C[C@H]4CCC(C)(C)c5cccc3c54)cn2)CC1 ZINC000539588146 869412100 /nfs/dbraw/zinc/41/21/00/869412100.db2.gz GJHCJMKRDKPBJP-WIYYLYMNSA-N 2 1 391.563 3.618 20 0 GHADMP COc1cccc(Cl)c1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000539823677 869852741 /nfs/dbraw/zinc/85/27/41/869852741.db2.gz NXUHGNVQLGNEBV-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP COc1cccc(Cl)c1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000539823677 869852761 /nfs/dbraw/zinc/85/27/61/869852761.db2.gz NXUHGNVQLGNEBV-UHFFFAOYSA-N 2 1 394.003 3.977 20 0 GHADMP CCc1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)o2)cc1 ZINC000539823128 869855020 /nfs/dbraw/zinc/85/50/20/869855020.db2.gz RMBYZQRUNLHLDD-CVDCTZTESA-N 2 1 381.564 3.967 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC000525107181 869988141 /nfs/dbraw/zinc/98/81/41/869988141.db2.gz OUQHFKOCQPRHSO-QTEQDKRBSA-N 2 1 385.596 3.518 20 0 GHADMP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000525119712 870019101 /nfs/dbraw/zinc/01/91/01/870019101.db2.gz DFCYDXMJLKHTHN-FQEVSTJZSA-N 2 1 377.960 3.889 20 0 GHADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1)CC1CC1 ZINC000540049187 870261682 /nfs/dbraw/zinc/26/16/82/870261682.db2.gz HEXTWUQIUYDXSD-GOSISDBHSA-N 2 1 389.588 3.625 20 0 GHADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1)CC1CC1 ZINC000540049187 870261701 /nfs/dbraw/zinc/26/17/01/870261701.db2.gz HEXTWUQIUYDXSD-GOSISDBHSA-N 2 1 389.588 3.625 20 0 GHADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccccc3Br)C2)CC1 ZINC000525267700 870274096 /nfs/dbraw/zinc/27/40/96/870274096.db2.gz MRDSLCVJWICWJI-IRXDYDNUSA-N 2 1 380.374 3.610 20 0 GHADMP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1C ZINC000248172064 870309058 /nfs/dbraw/zinc/30/90/58/870309058.db2.gz UYIBRSPJGONKMK-DENIHFKCSA-N 2 1 379.548 3.852 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000538688691 870351944 /nfs/dbraw/zinc/35/19/44/870351944.db2.gz YEPDVRZFZADUSN-KDURUIRLSA-N 2 1 394.563 3.556 20 0 GHADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000538688691 870351964 /nfs/dbraw/zinc/35/19/64/870351964.db2.gz YEPDVRZFZADUSN-KDURUIRLSA-N 2 1 394.563 3.556 20 0 GHADMP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248392869 870361929 /nfs/dbraw/zinc/36/19/29/870361929.db2.gz DKXMGSYVPHYRFY-MXEMCNAFSA-N 2 1 395.513 3.761 20 0 GHADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCN(c5ccccn5)C4)[C@H]3C2)cc1 ZINC000248395691 870366636 /nfs/dbraw/zinc/36/66/36/870366636.db2.gz GOZVEDZKEIETSS-BJESRGMDSA-N 2 1 376.548 3.551 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000248407594 870382886 /nfs/dbraw/zinc/38/28/86/870382886.db2.gz ULDMNCFXMVEQGR-ZOBUZTSGSA-N 2 1 382.545 3.533 20 0 GHADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000248407594 870382905 /nfs/dbraw/zinc/38/29/05/870382905.db2.gz ULDMNCFXMVEQGR-ZOBUZTSGSA-N 2 1 382.545 3.533 20 0 GHADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248408684 870386755 /nfs/dbraw/zinc/38/67/55/870386755.db2.gz FGFHNCMOZTZKJU-KELGSRBJSA-N 2 1 380.532 3.619 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000248440891 870422071 /nfs/dbraw/zinc/42/20/71/870422071.db2.gz JWXGGHMFHWFJFD-RBBKRZOGSA-N 2 1 384.495 3.786 20 0 GHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000248463322 870440948 /nfs/dbraw/zinc/44/09/48/870440948.db2.gz YWRAWTBHVZUWKJ-QZTJIDSGSA-N 2 1 381.520 3.717 20 0 GHADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000248463322 870440954 /nfs/dbraw/zinc/44/09/54/870440954.db2.gz YWRAWTBHVZUWKJ-QZTJIDSGSA-N 2 1 381.520 3.717 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000462958905 870541902 /nfs/dbraw/zinc/54/19/02/870541902.db2.gz RMUTTYHTWSGDPH-HOJAQTOUSA-N 2 1 381.495 3.574 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000462958905 870542020 /nfs/dbraw/zinc/54/20/20/870542020.db2.gz RMUTTYHTWSGDPH-HOJAQTOUSA-N 2 1 381.495 3.574 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000525392528 870600664 /nfs/dbraw/zinc/60/06/64/870600664.db2.gz NPQIFBGXYFHCKT-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000525392528 870600675 /nfs/dbraw/zinc/60/06/75/870600675.db2.gz NPQIFBGXYFHCKT-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000525392528 870600683 /nfs/dbraw/zinc/60/06/83/870600683.db2.gz NPQIFBGXYFHCKT-RBBKRZOGSA-N 2 1 386.584 3.557 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000540166955 870649281 /nfs/dbraw/zinc/64/92/81/870649281.db2.gz GRPSZPLNQUJNKS-ZIAGYGMSSA-N 2 1 382.430 3.853 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@H](COCc3ccccc3)C(C)C)CC2)nc(C)[nH+]1 ZINC000446943937 870752638 /nfs/dbraw/zinc/75/26/38/870752638.db2.gz ZVESGJHAKLMILZ-JOCHJYFZSA-N 2 1 382.552 3.893 20 0 GHADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC001192909099 870763404 /nfs/dbraw/zinc/76/34/04/870763404.db2.gz CLOQIVHHNNKCJF-INIZCTEOSA-N 2 1 395.416 3.569 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1)CC(C)C ZINC000540264481 870871919 /nfs/dbraw/zinc/87/19/19/870871919.db2.gz ITBYYTBVSRHLJI-RTWAWAEBSA-N 2 1 380.621 3.649 20 0 GHADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870566 870921732 /nfs/dbraw/zinc/92/17/32/870921732.db2.gz CVFMUIFRYYUADT-HLAWJBBLSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870566 870921740 /nfs/dbraw/zinc/92/17/40/870921740.db2.gz CVFMUIFRYYUADT-HLAWJBBLSA-N 2 1 387.568 3.838 20 0 GHADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C(=O)OC(C)(C)C ZINC001168870566 870921744 /nfs/dbraw/zinc/92/17/44/870921744.db2.gz CVFMUIFRYYUADT-HLAWJBBLSA-N 2 1 387.568 3.838 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC000463120226 870958185 /nfs/dbraw/zinc/95/81/85/870958185.db2.gz UKIXVJDEIFSYAP-NNWRFLSQSA-N 2 1 379.548 3.917 20 0 GHADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)c1 ZINC000463120226 870958200 /nfs/dbraw/zinc/95/82/00/870958200.db2.gz UKIXVJDEIFSYAP-NNWRFLSQSA-N 2 1 379.548 3.917 20 0 GHADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000463144347 870970397 /nfs/dbraw/zinc/97/03/97/870970397.db2.gz AMHYSESOWNZTAV-IBGZPJMESA-N 2 1 382.548 3.932 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)C3CCCCCC3)CC2)cc1 ZINC001193261388 870983083 /nfs/dbraw/zinc/98/30/83/870983083.db2.gz NVEAPBRYPNELAR-OAQYLSRUSA-N 2 1 385.596 3.978 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000250527578 870986704 /nfs/dbraw/zinc/98/67/04/870986704.db2.gz RCXNBQMMZDQFAF-RBUKOAKNSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000250527578 870986686 /nfs/dbraw/zinc/98/66/86/870986686.db2.gz RCXNBQMMZDQFAF-RBUKOAKNSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000250527578 870986696 /nfs/dbraw/zinc/98/66/96/870986696.db2.gz RCXNBQMMZDQFAF-RBUKOAKNSA-N 2 1 392.613 3.524 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000539053415 871184189 /nfs/dbraw/zinc/18/41/89/871184189.db2.gz PWBPJKPVTWMBTA-SJLPKXTDSA-N 2 1 393.453 3.979 20 0 GHADMP COc1cc2cccnc2c(N([C@@H](C)CCC[NH3+])[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001169091500 871201202 /nfs/dbraw/zinc/20/12/02/871201202.db2.gz SMXRXTMOWUWRBH-FFGOWVMKSA-N 2 1 382.552 3.802 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(C(=O)c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001169118765 871208992 /nfs/dbraw/zinc/20/89/92/871208992.db2.gz NEZCNMKUEYTZEM-LDLYASANSA-N 2 1 395.469 3.525 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1(Cc3ccc(Br)cc3)CCOCC1)C2 ZINC001169119517 871210318 /nfs/dbraw/zinc/21/03/18/871210318.db2.gz SXGBKJRLVQMTIC-LDLYASANSA-N 2 1 393.369 3.756 20 0 GHADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC001193648667 871214649 /nfs/dbraw/zinc/21/46/49/871214649.db2.gz HSNUSUXUHLANCW-NQIIRXRSSA-N 2 1 390.568 3.869 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)[C@H](C)C1 ZINC001193648667 871214658 /nfs/dbraw/zinc/21/46/58/871214658.db2.gz HSNUSUXUHLANCW-NQIIRXRSSA-N 2 1 390.568 3.869 20 0 GHADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130883 871221904 /nfs/dbraw/zinc/22/19/04/871221904.db2.gz PHZBHOWTKVCPCJ-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130883 871221922 /nfs/dbraw/zinc/22/19/22/871221922.db2.gz PHZBHOWTKVCPCJ-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130883 871221941 /nfs/dbraw/zinc/22/19/41/871221941.db2.gz PHZBHOWTKVCPCJ-VQQMMKBISA-N 2 1 377.573 3.725 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000539066638 871241491 /nfs/dbraw/zinc/24/14/91/871241491.db2.gz PIYUMUFFZDGGSH-BXUZGUMPSA-N 2 1 395.263 3.777 20 0 GHADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C[C@H](C)O1 ZINC000539072831 871258940 /nfs/dbraw/zinc/25/89/40/871258940.db2.gz VBAPBLUJMUGQSE-GQIGUUNPSA-N 2 1 395.385 3.785 20 0 GHADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191497540 882492079 /nfs/dbraw/zinc/49/20/79/882492079.db2.gz OJSYAAYWXHOVAL-HNAYVOBHSA-N 2 1 381.358 3.848 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)c(C)n2n1 ZINC000091733446 871330013 /nfs/dbraw/zinc/33/00/13/871330013.db2.gz CWFVTQGPEFNPSK-SGXKBVARSA-N 2 1 377.536 3.907 20 0 GHADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)c(C)n2n1 ZINC000091733446 871330035 /nfs/dbraw/zinc/33/00/35/871330035.db2.gz CWFVTQGPEFNPSK-SGXKBVARSA-N 2 1 377.536 3.907 20 0 GHADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000539160547 871420160 /nfs/dbraw/zinc/42/01/60/871420160.db2.gz NFQFXUKMOGPGDU-JOCHJYFZSA-N 2 1 395.503 3.853 20 0 GHADMP CC[NH+](CC)Cc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@H+]2CC)o1 ZINC000618407238 871600451 /nfs/dbraw/zinc/60/04/51/871600451.db2.gz OSESVRJSPIOQCI-FQEVSTJZSA-N 2 1 398.551 3.643 20 0 GHADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001194292743 871628653 /nfs/dbraw/zinc/62/86/53/871628653.db2.gz XEBQGDIMNNRPKS-VQTJNVASSA-N 2 1 377.960 3.510 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)CC1 ZINC001169566354 871642317 /nfs/dbraw/zinc/64/23/17/871642317.db2.gz JCSAXZFMHBRQJB-RBBKRZOGSA-N 2 1 385.596 3.834 20 0 GHADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000462116747 871645393 /nfs/dbraw/zinc/64/53/93/871645393.db2.gz QDLDFQPIIQSZHK-DNQXCXABSA-N 2 1 393.575 3.803 20 0 GHADMP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000539320966 871684671 /nfs/dbraw/zinc/68/46/71/871684671.db2.gz XFXBSRMUHSYVAQ-OAQYLSRUSA-N 2 1 375.557 3.746 20 0 GHADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000539320966 871684675 /nfs/dbraw/zinc/68/46/75/871684675.db2.gz XFXBSRMUHSYVAQ-OAQYLSRUSA-N 2 1 375.557 3.746 20 0 GHADMP CCC[NH+](C)CC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000539320966 871684679 /nfs/dbraw/zinc/68/46/79/871684679.db2.gz XFXBSRMUHSYVAQ-OAQYLSRUSA-N 2 1 375.557 3.746 20 0 GHADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000539307572 871704217 /nfs/dbraw/zinc/70/42/17/871704217.db2.gz NIPAUJVUKSIKMF-ACJLOTCBSA-N 2 1 399.398 3.668 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169757795 871844439 /nfs/dbraw/zinc/84/44/39/871844439.db2.gz TUHBPZRJFCWMAV-QDSKXPNFSA-N 2 1 391.559 3.791 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169757795 871844460 /nfs/dbraw/zinc/84/44/60/871844460.db2.gz TUHBPZRJFCWMAV-QDSKXPNFSA-N 2 1 391.559 3.791 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001169769270 871859068 /nfs/dbraw/zinc/85/90/68/871859068.db2.gz GBMAPSULHBDFAN-QFIPXVFZSA-N 2 1 381.564 3.632 20 0 GHADMP O=C(c1ccccc1)N1CCC[C@H]([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001169769270 871859081 /nfs/dbraw/zinc/85/90/81/871859081.db2.gz GBMAPSULHBDFAN-QFIPXVFZSA-N 2 1 381.564 3.632 20 0 GHADMP COc1ccccc1[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509656843 872010833 /nfs/dbraw/zinc/01/08/33/872010833.db2.gz YMRMLYKMMABORL-OAQYLSRUSA-N 2 1 379.548 3.697 20 0 GHADMP CCC[N@H+](Cc1cccc2nsnc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000766888775 872052346 /nfs/dbraw/zinc/05/23/46/872052346.db2.gz IYFSOPPUVMMXIC-UHFFFAOYSA-N 2 1 396.564 3.979 20 0 GHADMP CCC[N@@H+](Cc1cccc2nsnc21)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000766888775 872052363 /nfs/dbraw/zinc/05/23/63/872052363.db2.gz IYFSOPPUVMMXIC-UHFFFAOYSA-N 2 1 396.564 3.979 20 0 GHADMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169963715 872058668 /nfs/dbraw/zinc/05/86/68/872058668.db2.gz YZWASYUGAMAJOG-LJQANCHMSA-N 2 1 398.469 3.945 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000093597306 872286252 /nfs/dbraw/zinc/28/62/52/872286252.db2.gz WKWPBLNKPZPJAZ-FQEVSTJZSA-N 2 1 393.531 3.865 20 0 GHADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000093597306 872286267 /nfs/dbraw/zinc/28/62/67/872286267.db2.gz WKWPBLNKPZPJAZ-FQEVSTJZSA-N 2 1 393.531 3.865 20 0 GHADMP C[C@@H]1C[C@H](N(C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000093643711 872312234 /nfs/dbraw/zinc/31/22/34/872312234.db2.gz OFCYASHHDYDXPM-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CCN1C ZINC000093643711 872312244 /nfs/dbraw/zinc/31/22/44/872312244.db2.gz OFCYASHHDYDXPM-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CCN1C ZINC000093643711 872312257 /nfs/dbraw/zinc/31/22/57/872312257.db2.gz OFCYASHHDYDXPM-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000093643711 872312275 /nfs/dbraw/zinc/31/22/75/872312275.db2.gz OFCYASHHDYDXPM-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000093643711 872312288 /nfs/dbraw/zinc/31/22/88/872312288.db2.gz OFCYASHHDYDXPM-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[NH+]1C ZINC000093643711 872312301 /nfs/dbraw/zinc/31/23/01/872312301.db2.gz OFCYASHHDYDXPM-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCCO3)CC[NH+]1C ZINC000093643711 872312314 /nfs/dbraw/zinc/31/23/14/872312314.db2.gz OFCYASHHDYDXPM-UKRRQHHQSA-N 2 1 383.330 3.525 20 0 GHADMP CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093643846 872313511 /nfs/dbraw/zinc/31/35/11/872313511.db2.gz MNHGOCBEFDROLT-HIFRSBDPSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093643846 872313527 /nfs/dbraw/zinc/31/35/27/872313527.db2.gz MNHGOCBEFDROLT-HIFRSBDPSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093643846 872313545 /nfs/dbraw/zinc/31/35/45/872313545.db2.gz MNHGOCBEFDROLT-HIFRSBDPSA-N 2 1 385.346 3.771 20 0 GHADMP CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093643846 872313557 /nfs/dbraw/zinc/31/35/57/872313557.db2.gz MNHGOCBEFDROLT-HIFRSBDPSA-N 2 1 385.346 3.771 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000552268221 872329583 /nfs/dbraw/zinc/32/95/83/872329583.db2.gz BGYQKSRMEUXZPJ-HUUCEWRRSA-N 2 1 376.460 3.923 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030925 872382365 /nfs/dbraw/zinc/38/23/65/872382365.db2.gz YKZZFQJSEFDODS-UXHICEINSA-N 2 1 379.548 3.819 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030925 872382375 /nfs/dbraw/zinc/38/23/75/872382375.db2.gz YKZZFQJSEFDODS-UXHICEINSA-N 2 1 379.548 3.819 20 0 GHADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000478030925 872382390 /nfs/dbraw/zinc/38/23/90/872382390.db2.gz YKZZFQJSEFDODS-UXHICEINSA-N 2 1 379.548 3.819 20 0 GHADMP c1[nH]c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nc1-c1ccccc1 ZINC000447850975 872410490 /nfs/dbraw/zinc/41/04/90/872410490.db2.gz PSMFBANLZFMZQY-UHFFFAOYSA-N 2 1 376.504 3.841 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000667288504 872443631 /nfs/dbraw/zinc/44/36/31/872443631.db2.gz MZQHWXMFGCWJHA-SFHVURJKSA-N 2 1 390.597 3.869 20 0 GHADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000667288503 872443684 /nfs/dbraw/zinc/44/36/84/872443684.db2.gz MZQHWXMFGCWJHA-GOSISDBHSA-N 2 1 390.597 3.869 20 0 GHADMP CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076145008 882638775 /nfs/dbraw/zinc/63/87/75/882638775.db2.gz RUHOKFXZUJXSBO-YLJYHZDGSA-N 2 1 375.557 3.604 20 0 GHADMP CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076145008 882638784 /nfs/dbraw/zinc/63/87/84/882638784.db2.gz RUHOKFXZUJXSBO-YLJYHZDGSA-N 2 1 375.557 3.604 20 0 GHADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000122687069 882664533 /nfs/dbraw/zinc/66/45/33/882664533.db2.gz FHDAMJNDAWYKGU-UHFFFAOYSA-N 2 1 384.524 3.900 20 0 GHADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000448211366 873057191 /nfs/dbraw/zinc/05/71/91/873057191.db2.gz CMBVCDVDPCNOHQ-QFIPXVFZSA-N 2 1 388.600 3.696 20 0 GHADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)CC1 ZINC000541205372 873132188 /nfs/dbraw/zinc/13/21/88/873132188.db2.gz ZCFYHUABMDIEJL-YXBWYFRISA-N 2 1 375.582 3.606 20 0 GHADMP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183099858 873229927 /nfs/dbraw/zinc/22/99/27/873229927.db2.gz IWOQUABQHVTPOL-GBESFXJTSA-N 2 1 379.589 3.876 20 0 GHADMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001196782126 873386961 /nfs/dbraw/zinc/38/69/61/873386961.db2.gz NKLAMKVNVZZESW-RZUBCFFCSA-N 2 1 383.580 3.531 20 0 GHADMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001196782126 873386971 /nfs/dbraw/zinc/38/69/71/873386971.db2.gz NKLAMKVNVZZESW-RZUBCFFCSA-N 2 1 383.580 3.531 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001196782126 873386981 /nfs/dbraw/zinc/38/69/81/873386981.db2.gz NKLAMKVNVZZESW-RZUBCFFCSA-N 2 1 383.580 3.531 20 0 GHADMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H]3c3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC001196782126 873386993 /nfs/dbraw/zinc/38/69/93/873386993.db2.gz NKLAMKVNVZZESW-RZUBCFFCSA-N 2 1 383.580 3.531 20 0 GHADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)c(C)cc1Br ZINC000527649786 873403100 /nfs/dbraw/zinc/40/31/00/873403100.db2.gz JHIHPBXLNFZOPS-UHFFFAOYSA-N 2 1 387.119 3.815 20 0 GHADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+]1CCCC1 ZINC000448464936 873422755 /nfs/dbraw/zinc/42/27/55/873422755.db2.gz IMGOORAPFYETAZ-NNWRFLSQSA-N 2 1 390.616 3.545 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(F)cc1OC ZINC000527654959 873450758 /nfs/dbraw/zinc/45/07/58/873450758.db2.gz VDZOSZJZLMQNDI-LJQANCHMSA-N 2 1 386.511 3.887 20 0 GHADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)cc1OC ZINC000527654959 873450765 /nfs/dbraw/zinc/45/07/65/873450765.db2.gz VDZOSZJZLMQNDI-LJQANCHMSA-N 2 1 386.511 3.887 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)n1cccn1 ZINC000527740272 873543796 /nfs/dbraw/zinc/54/37/96/873543796.db2.gz ZKGSNXALJUPEGI-ROUUACIJSA-N 2 1 378.442 3.773 20 0 GHADMP FC(F)(F)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)n1cccn1 ZINC000527740272 873543800 /nfs/dbraw/zinc/54/38/00/873543800.db2.gz ZKGSNXALJUPEGI-ROUUACIJSA-N 2 1 378.442 3.773 20 0 GHADMP CC(C)C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC1CC[NH+](C)CC1 ZINC001197194700 873644395 /nfs/dbraw/zinc/64/43/95/873644395.db2.gz SRMMJZNOYOWIKO-UHFFFAOYSA-N 2 1 385.474 3.944 20 0 GHADMP C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527888803 873718437 /nfs/dbraw/zinc/71/84/37/873718437.db2.gz VPNVNZXSZYPEGO-PGRDOPGGSA-N 2 1 390.531 3.505 20 0 GHADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011430 873733324 /nfs/dbraw/zinc/73/33/24/873733324.db2.gz AWQJZWDBFNAQGK-FXAWDEMLSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011430 873733328 /nfs/dbraw/zinc/73/33/28/873733328.db2.gz AWQJZWDBFNAQGK-FXAWDEMLSA-N 2 1 394.991 3.706 20 0 GHADMP CCC[NH+](C)[C@H](CNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1)c1ccc(Cl)cc1 ZINC000509011430 873733339 /nfs/dbraw/zinc/73/33/39/873733339.db2.gz AWQJZWDBFNAQGK-FXAWDEMLSA-N 2 1 394.991 3.706 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)n1cccn1 ZINC000527940918 873784701 /nfs/dbraw/zinc/78/47/01/873784701.db2.gz WXBRVQPMPIEIAF-FCGDIQPGSA-N 2 1 378.442 3.772 20 0 GHADMP FC(F)(F)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cccn1 ZINC000527940918 873784710 /nfs/dbraw/zinc/78/47/10/873784710.db2.gz WXBRVQPMPIEIAF-FCGDIQPGSA-N 2 1 378.442 3.772 20 0 GHADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccc(F)cc3)c3cccnc3)CC2)nc(C)[nH+]1 ZINC000541543742 873805097 /nfs/dbraw/zinc/80/50/97/873805097.db2.gz KHSOSCNXKIWXRE-QHCPKHFHSA-N 2 1 391.494 3.976 20 0 GHADMP Cc1cncc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000550881752 882760795 /nfs/dbraw/zinc/76/07/95/882760795.db2.gz CGPPVZXKUCYRNE-REWPJTCUSA-N 2 1 379.548 3.969 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000769148482 873846597 /nfs/dbraw/zinc/84/65/97/873846597.db2.gz LSCAQIADGXFVPI-UXHICEINSA-N 2 1 379.589 3.830 20 0 GHADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000769148482 873846611 /nfs/dbraw/zinc/84/66/11/873846611.db2.gz LSCAQIADGXFVPI-UXHICEINSA-N 2 1 379.589 3.830 20 0 GHADMP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000528002233 873872323 /nfs/dbraw/zinc/87/23/23/873872323.db2.gz LWTDEJMOUNMHFW-YABDQXBESA-N 2 1 377.532 3.846 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)cc1 ZINC000541600868 873923069 /nfs/dbraw/zinc/92/30/69/873923069.db2.gz ANSOUZBVSPLALQ-VNZMSGEBSA-N 2 1 383.580 3.805 20 0 GHADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)cc1 ZINC000541600868 873923071 /nfs/dbraw/zinc/92/30/71/873923071.db2.gz ANSOUZBVSPLALQ-VNZMSGEBSA-N 2 1 383.580 3.805 20 0 GHADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448825280 874025453 /nfs/dbraw/zinc/02/54/53/874025453.db2.gz VKFSITBKHPQQGT-UHFFFAOYSA-N 2 1 389.503 3.573 20 0 GHADMP C[C@@H](C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000769677045 874227556 /nfs/dbraw/zinc/22/75/56/874227556.db2.gz DBGOLQZAFUSDJY-ROUUACIJSA-N 2 1 375.557 3.932 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528260948 874278580 /nfs/dbraw/zinc/27/85/80/874278580.db2.gz DEWFDKWJKQNEFS-HXUWFJFHSA-N 2 1 377.960 3.541 20 0 GHADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528260948 874278596 /nfs/dbraw/zinc/27/85/96/874278596.db2.gz DEWFDKWJKQNEFS-HXUWFJFHSA-N 2 1 377.960 3.541 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000541811810 874333757 /nfs/dbraw/zinc/33/37/57/874333757.db2.gz KHYQJOQLYFGMBY-IAGOWNOFSA-N 2 1 383.540 3.613 20 0 GHADMP COCCOc1ccccc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449084346 874436073 /nfs/dbraw/zinc/43/60/73/874436073.db2.gz GTNZMSNQPWULFU-FQEVSTJZSA-N 2 1 382.548 3.897 20 0 GHADMP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449122331 874505168 /nfs/dbraw/zinc/50/51/68/874505168.db2.gz KYHVQINRPFOJST-GHTZIAJQSA-N 2 1 392.609 3.828 20 0 GHADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000541909327 874508079 /nfs/dbraw/zinc/50/80/79/874508079.db2.gz HGDCASLNKXLWCS-RBBKRZOGSA-N 2 1 391.506 3.623 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449131895 874516300 /nfs/dbraw/zinc/51/63/00/874516300.db2.gz QEKNWYICTPRYKA-UHFFFAOYSA-N 3 1 380.665 3.529 20 0 GHADMP C[NH+](C)[C@H](C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)C1CCCCC1 ZINC001199335689 874934135 /nfs/dbraw/zinc/93/41/35/874934135.db2.gz AAPVROICGMDEOK-JOCHJYFZSA-N 2 1 387.568 3.888 20 0 GHADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000428531341 882897675 /nfs/dbraw/zinc/89/76/75/882897675.db2.gz ATYRELRANCWWNX-ZODMCCGTSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000428531341 882897699 /nfs/dbraw/zinc/89/76/99/882897699.db2.gz ATYRELRANCWWNX-ZODMCCGTSA-N 2 1 393.575 3.703 20 0 GHADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000428531341 882897718 /nfs/dbraw/zinc/89/77/18/882897718.db2.gz ATYRELRANCWWNX-ZODMCCGTSA-N 2 1 393.575 3.703 20 0 GHADMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001201597936 875750729 /nfs/dbraw/zinc/75/07/29/875750729.db2.gz DOONGHURBXDUHP-UHFFFAOYSA-N 2 1 380.532 3.605 20 0 GHADMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001201597936 875750738 /nfs/dbraw/zinc/75/07/38/875750738.db2.gz DOONGHURBXDUHP-UHFFFAOYSA-N 2 1 380.532 3.605 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000192606986 882967389 /nfs/dbraw/zinc/96/73/89/882967389.db2.gz NMDYQJSOFGAACT-LPHOPBHVSA-N 2 1 381.545 3.743 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000192606986 882967401 /nfs/dbraw/zinc/96/74/01/882967401.db2.gz NMDYQJSOFGAACT-LPHOPBHVSA-N 2 1 381.545 3.743 20 0 GHADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OCC)cc2)CC1 ZINC000303613753 875873305 /nfs/dbraw/zinc/87/33/05/875873305.db2.gz ZJJRDGUUYMWOQV-SFHVURJKSA-N 2 1 375.557 3.856 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529364921 876038735 /nfs/dbraw/zinc/03/87/35/876038735.db2.gz HSOGZPCSDCVPCM-HJQSFINYSA-N 2 1 397.607 3.864 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529364921 876038750 /nfs/dbraw/zinc/03/87/50/876038750.db2.gz HSOGZPCSDCVPCM-HJQSFINYSA-N 2 1 397.607 3.864 20 0 GHADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529364921 876038765 /nfs/dbraw/zinc/03/87/65/876038765.db2.gz HSOGZPCSDCVPCM-HJQSFINYSA-N 2 1 397.607 3.864 20 0 GHADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000785504818 876078476 /nfs/dbraw/zinc/07/84/76/876078476.db2.gz XWFKAZGOJZBBPA-NVXWUHKLSA-N 2 1 391.357 3.573 20 0 GHADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000450317744 876261677 /nfs/dbraw/zinc/26/16/77/876261677.db2.gz LMSQAEXJAOMZJP-JOCHJYFZSA-N 2 1 384.568 3.554 20 0 GHADMP Cc1cc(C)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)c1 ZINC000108421012 876466974 /nfs/dbraw/zinc/46/69/74/876466974.db2.gz XYZBZBUJTNVFGQ-JOCHJYFZSA-N 2 1 379.548 3.599 20 0 GHADMP CC(C)[NH+]1CCCC[C@H]1CN1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1C ZINC000450563644 876620022 /nfs/dbraw/zinc/62/00/22/876620022.db2.gz OHTQBDYAXIDZBW-ZRBLBEILSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](C)C1 ZINC000450563644 876620029 /nfs/dbraw/zinc/62/00/29/876620029.db2.gz OHTQBDYAXIDZBW-ZRBLBEILSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](C)C1 ZINC000450563644 876620039 /nfs/dbraw/zinc/62/00/39/876620039.db2.gz OHTQBDYAXIDZBW-ZRBLBEILSA-N 2 1 378.649 3.518 20 0 GHADMP CC(C)(O)[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000450596432 876661915 /nfs/dbraw/zinc/66/19/15/876661915.db2.gz GEXPXDCWFTXDGJ-WOJBJXKFSA-N 2 1 394.987 3.811 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c1)C[C@@H]1CCC[C@@H]1O ZINC000450623143 876670484 /nfs/dbraw/zinc/67/04/84/876670484.db2.gz PEBRFLVJYHPVHM-ZIEJVCCYSA-N 2 1 394.987 3.526 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1)C[C@H]1CCC[C@H]1O ZINC000450623143 876670489 /nfs/dbraw/zinc/67/04/89/876670489.db2.gz PEBRFLVJYHPVHM-ZIEJVCCYSA-N 2 1 394.987 3.526 20 0 GHADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1)C[C@H]1CCC[C@H]1O ZINC000450623143 876670495 /nfs/dbraw/zinc/67/04/95/876670495.db2.gz PEBRFLVJYHPVHM-ZIEJVCCYSA-N 2 1 394.987 3.526 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000850414492 876894608 /nfs/dbraw/zinc/89/46/08/876894608.db2.gz PCWDXUVASZSAPI-UGKGYDQZSA-N 2 1 392.547 3.749 20 0 GHADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850414492 876894618 /nfs/dbraw/zinc/89/46/18/876894618.db2.gz PCWDXUVASZSAPI-UGKGYDQZSA-N 2 1 392.547 3.749 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000850430756 876913783 /nfs/dbraw/zinc/91/37/83/876913783.db2.gz PLLQLHSMNSYJOQ-WWDZGPRUSA-N 2 1 379.570 3.607 20 0 GHADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000850430756 876913796 /nfs/dbraw/zinc/91/37/96/876913796.db2.gz PLLQLHSMNSYJOQ-WWDZGPRUSA-N 2 1 379.570 3.607 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850434237 876917684 /nfs/dbraw/zinc/91/76/84/876917684.db2.gz VRSUJKFWNWJIHU-SNPRPXQTSA-N 2 1 376.850 3.743 20 0 GHADMP C[C@H](Cc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850434237 876917693 /nfs/dbraw/zinc/91/76/93/876917693.db2.gz VRSUJKFWNWJIHU-SNPRPXQTSA-N 2 1 376.850 3.743 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCO2 ZINC000850458451 876939811 /nfs/dbraw/zinc/93/98/11/876939811.db2.gz SNOSTCITTRQMTF-FDDCHVKYSA-N 2 1 380.532 3.819 20 0 GHADMP O=C(N1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc2C1)C(F)(F)F ZINC000850466509 876946166 /nfs/dbraw/zinc/94/61/66/876946166.db2.gz LBHHPQQSPIVXJK-FAFZWHIHSA-N 2 1 395.469 3.629 20 0 GHADMP O=C(OCC1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000772689517 876972994 /nfs/dbraw/zinc/97/29/94/876972994.db2.gz JHXLUACGOOODAU-QFIPXVFZSA-N 2 1 382.504 3.699 20 0 GHADMP O=C(OCC1CC[NH+](Cc2ccco2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000772689517 876973007 /nfs/dbraw/zinc/97/30/07/876973007.db2.gz JHXLUACGOOODAU-QFIPXVFZSA-N 2 1 382.504 3.699 20 0 GHADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2c(c1)CCCO2 ZINC000850508787 876980522 /nfs/dbraw/zinc/98/05/22/876980522.db2.gz OFERLHVTFQUYOX-DHIUTWEWSA-N 2 1 380.532 3.819 20 0 GHADMP C[C@@H]([NH2+]Cc1ccc(N2CCCNC2=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850574694 877039474 /nfs/dbraw/zinc/03/94/74/877039474.db2.gz IKQXYBSJHRFTSW-DENIHFKCSA-N 2 1 392.547 3.607 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134893102 883094572 /nfs/dbraw/zinc/09/45/72/883094572.db2.gz XNQAWFCFEKKWGG-OFNKIYASSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134893102 883094589 /nfs/dbraw/zinc/09/45/89/883094589.db2.gz XNQAWFCFEKKWGG-OFNKIYASSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134893102 883094602 /nfs/dbraw/zinc/09/46/02/883094602.db2.gz XNQAWFCFEKKWGG-OFNKIYASSA-N 2 1 393.531 3.658 20 0 GHADMP O=C(NCc1ccco1)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134893102 883094618 /nfs/dbraw/zinc/09/46/18/883094618.db2.gz XNQAWFCFEKKWGG-OFNKIYASSA-N 2 1 393.531 3.658 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000551029738 883096715 /nfs/dbraw/zinc/09/67/15/883096715.db2.gz QKQGJXWTFJTHTR-ZILOHOTNSA-N 2 1 379.548 3.947 20 0 GHADMP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)c1 ZINC000551029738 883096728 /nfs/dbraw/zinc/09/67/28/883096728.db2.gz QKQGJXWTFJTHTR-ZILOHOTNSA-N 2 1 379.548 3.947 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000079393179 877182038 /nfs/dbraw/zinc/18/20/38/877182038.db2.gz IODWVAQQVFTEKS-NRFANRHFSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000079393179 877182048 /nfs/dbraw/zinc/18/20/48/877182048.db2.gz IODWVAQQVFTEKS-NRFANRHFSA-N 2 1 386.584 3.559 20 0 GHADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000079393179 877182058 /nfs/dbraw/zinc/18/20/58/877182058.db2.gz IODWVAQQVFTEKS-NRFANRHFSA-N 2 1 386.584 3.559 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134928704 883115136 /nfs/dbraw/zinc/11/51/36/883115136.db2.gz MEUOYVAWIXBBQF-DKSSEZFCSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134928704 883115143 /nfs/dbraw/zinc/11/51/43/883115143.db2.gz MEUOYVAWIXBBQF-DKSSEZFCSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134928704 883115148 /nfs/dbraw/zinc/11/51/48/883115148.db2.gz MEUOYVAWIXBBQF-DKSSEZFCSA-N 2 1 399.362 3.682 20 0 GHADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000729600316 883115514 /nfs/dbraw/zinc/11/55/14/883115514.db2.gz QJEDKRWDFNUZPS-CVDCTZTESA-N 2 1 394.563 3.725 20 0 GHADMP Fc1ccccc1-c1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530239858 877347982 /nfs/dbraw/zinc/34/79/82/877347982.db2.gz IGXYRNVDDHDUON-KRWDZBQOSA-N 2 1 375.513 3.540 20 0 GHADMP c1sc(CCc2ccccc2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240736 877350244 /nfs/dbraw/zinc/35/02/44/877350244.db2.gz MUYFFTINJIZBCA-OAQYLSRUSA-N 2 1 385.577 3.519 20 0 GHADMP COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000551572871 877460544 /nfs/dbraw/zinc/46/05/44/877460544.db2.gz XPPMXZBYZFIMJF-AUSIDOKSSA-N 2 1 380.532 3.661 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000530336604 877573092 /nfs/dbraw/zinc/57/30/92/877573092.db2.gz CINILGUYWFHAON-MOJGAOKDSA-N 2 1 392.547 3.878 20 0 GHADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477624922 877939818 /nfs/dbraw/zinc/93/98/18/877939818.db2.gz HWRVFMZWLNLZBE-SIIHOXLZSA-N 2 1 383.939 3.755 20 0 GHADMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)C1 ZINC000081568220 877971837 /nfs/dbraw/zinc/97/18/37/877971837.db2.gz MRPCNZAFFGOZLE-LJQANCHMSA-N 2 1 377.548 3.617 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000551898482 877978947 /nfs/dbraw/zinc/97/89/47/877978947.db2.gz NKCFRNFNNTYFQC-INIZCTEOSA-N 2 1 397.548 3.973 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000551898482 877978967 /nfs/dbraw/zinc/97/89/67/877978967.db2.gz NKCFRNFNNTYFQC-INIZCTEOSA-N 2 1 397.548 3.973 20 0 GHADMP Cc1cc(Cl)cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000477744883 878122519 /nfs/dbraw/zinc/12/25/19/878122519.db2.gz QNDFJVRSIOLJPM-UHFFFAOYSA-N 2 1 391.987 3.917 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000245590005 878160601 /nfs/dbraw/zinc/16/06/01/878160601.db2.gz AXLRYSXTGFZLPS-GGPKGHCWSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000245590005 878160607 /nfs/dbraw/zinc/16/06/07/878160607.db2.gz AXLRYSXTGFZLPS-GGPKGHCWSA-N 2 1 392.613 3.551 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000245590005 878160614 /nfs/dbraw/zinc/16/06/14/878160614.db2.gz AXLRYSXTGFZLPS-GGPKGHCWSA-N 2 1 392.613 3.551 20 0 GHADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176268794 878174448 /nfs/dbraw/zinc/17/44/48/878174448.db2.gz GVSSACWJUSVBQZ-OAQYLSRUSA-N 2 1 386.584 3.557 20 0 GHADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176297508 878194397 /nfs/dbraw/zinc/19/43/97/878194397.db2.gz BPQRUCDZZLMHPM-QFIPXVFZSA-N 2 1 387.543 3.515 20 0 GHADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176297508 878194405 /nfs/dbraw/zinc/19/44/05/878194405.db2.gz BPQRUCDZZLMHPM-QFIPXVFZSA-N 2 1 387.543 3.515 20 0 GHADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245644418 878271417 /nfs/dbraw/zinc/27/14/17/878271417.db2.gz YMCMBAAWRXJZOU-UXPWSPDFSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245644418 878271427 /nfs/dbraw/zinc/27/14/27/878271427.db2.gz YMCMBAAWRXJZOU-UXPWSPDFSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245644418 878271440 /nfs/dbraw/zinc/27/14/40/878271440.db2.gz YMCMBAAWRXJZOU-UXPWSPDFSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C1 ZINC000245644418 878271454 /nfs/dbraw/zinc/27/14/54/878271454.db2.gz YMCMBAAWRXJZOU-UXPWSPDFSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000245657565 878298836 /nfs/dbraw/zinc/29/88/36/878298836.db2.gz CSISPMHTXHMSOF-PMOQBDJRSA-N 2 1 398.595 3.869 20 0 GHADMP C[C@H]([NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000788732348 878306860 /nfs/dbraw/zinc/30/68/60/878306860.db2.gz FAXSNOIGIDEJQV-ICSRJNTNSA-N 2 1 399.579 3.886 20 0 GHADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCC[N@H+]3CCc4ccccc4C3)ccc21 ZINC000455910802 878367905 /nfs/dbraw/zinc/36/79/05/878367905.db2.gz IQBGGVYAOKXOPP-QHCPKHFHSA-N 2 1 392.547 3.805 20 0 GHADMP CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245688805 878389792 /nfs/dbraw/zinc/38/97/92/878389792.db2.gz JBXWIFZWOCIACS-VQTJNVASSA-N 2 1 377.960 3.749 20 0 GHADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000530727908 878401153 /nfs/dbraw/zinc/40/11/53/878401153.db2.gz PLORRFZBKAEPQI-UGKGYDQZSA-N 2 1 392.547 3.558 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000245774917 878576771 /nfs/dbraw/zinc/57/67/71/878576771.db2.gz XYBJWOJVGXQCQF-UOHRICOVSA-N 3 1 385.596 3.661 20 0 GHADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C[C@@H](C)O1 ZINC000245774917 878576777 /nfs/dbraw/zinc/57/67/77/878576777.db2.gz XYBJWOJVGXQCQF-UOHRICOVSA-N 2 1 385.596 3.661 20 0 GHADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245779757 878588084 /nfs/dbraw/zinc/58/80/84/878588084.db2.gz YRASGOSXZZIXIR-XQUALCHDSA-N 2 1 395.591 3.953 20 0 GHADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000537987752 878629441 /nfs/dbraw/zinc/62/94/41/878629441.db2.gz QLMAEFMPAWVUIT-CJNUZUDLSA-N 2 1 395.591 3.776 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000245879183 878689483 /nfs/dbraw/zinc/68/94/83/878689483.db2.gz AXAKXRUWUWQEIG-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245879183 878689493 /nfs/dbraw/zinc/68/94/93/878689493.db2.gz AXAKXRUWUWQEIG-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245879183 878689503 /nfs/dbraw/zinc/68/95/03/878689503.db2.gz AXAKXRUWUWQEIG-WTIAFYNJSA-N 2 1 398.595 3.687 20 0 GHADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000238150675 878810821 /nfs/dbraw/zinc/81/08/21/878810821.db2.gz AVWYGQJQVZJQQW-UHFFFAOYSA-N 2 1 376.447 3.694 20 0 GHADMP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc(F)ccc1F ZINC000853120231 878827564 /nfs/dbraw/zinc/82/75/64/878827564.db2.gz HYWHULMRCOQYNT-AVRDEDQJSA-N 2 1 386.486 3.890 20 0 GHADMP CC(C)c1ccc(C[C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000460980452 878921269 /nfs/dbraw/zinc/92/12/69/878921269.db2.gz TZRKKXXDHAQWCK-NRFANRHFSA-N 2 1 385.596 3.663 20 0 GHADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241080 878924995 /nfs/dbraw/zinc/92/49/95/878924995.db2.gz UHMKZMZXXMZORA-ICSRJNTNSA-N 2 1 397.563 3.553 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000531020615 878928764 /nfs/dbraw/zinc/92/87/64/878928764.db2.gz WYGFCKBNZOHOSB-LAUBAEHRSA-N 2 1 381.524 3.512 20 0 GHADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000538175752 878979381 /nfs/dbraw/zinc/97/93/81/878979381.db2.gz SRWBHLYVYVOGJO-ZDUSSCGKSA-N 2 1 394.313 3.856 20 0 GHADMP C[NH2+]CCc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000649329996 879028619 /nfs/dbraw/zinc/02/86/19/879028619.db2.gz NXENOOWDQHPQJX-KNQAVFIVSA-N 2 1 379.548 3.574 20 0 GHADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000111386416 879081824 /nfs/dbraw/zinc/08/18/24/879081824.db2.gz QUZURJGPSSHHOL-JOCHJYFZSA-N 2 1 396.579 3.552 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538274680 879166443 /nfs/dbraw/zinc/16/64/43/879166443.db2.gz XTJRCURHQMORIP-XAPVIXHLSA-N 2 1 385.596 3.931 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(C(F)(F)F)ccn1 ZINC000531189702 879281592 /nfs/dbraw/zinc/28/15/92/879281592.db2.gz YOIPMTCRCVVQND-UHFFFAOYSA-N 2 1 384.490 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000180782617 879338602 /nfs/dbraw/zinc/33/86/02/879338602.db2.gz YWEMAJYBTDQVSR-TZIWHRDSSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000180782617 879338617 /nfs/dbraw/zinc/33/86/17/879338617.db2.gz YWEMAJYBTDQVSR-TZIWHRDSSA-N 2 1 391.600 3.972 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000180782617 879338631 /nfs/dbraw/zinc/33/86/31/879338631.db2.gz YWEMAJYBTDQVSR-TZIWHRDSSA-N 2 1 391.600 3.972 20 0 GHADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cn(-c3cc[nH+]cc3)nc2C)cc1OC ZINC000542467472 879455200 /nfs/dbraw/zinc/45/52/00/879455200.db2.gz YARUSKPHIXUTOZ-HXUWFJFHSA-N 2 1 378.476 3.930 20 0 GHADMP Cc1ccccc1C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000790122481 879490421 /nfs/dbraw/zinc/49/04/21/879490421.db2.gz BRYMZKWLGOORRB-UHFFFAOYSA-N 2 1 394.563 3.644 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cc(I)ccc2Cl)CCC[C@@H]1C[NH3+] ZINC001206037745 879531988 /nfs/dbraw/zinc/53/19/88/879531988.db2.gz WRBQVIRGCMLCLR-VXGBXAGGSA-N 2 1 392.712 3.751 20 0 GHADMP C[C@]1(CCCO)CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@]2(C)CCCO)c1 ZINC000538512497 879635771 /nfs/dbraw/zinc/63/57/71/879635771.db2.gz RYFJABGBUMKQGQ-DNQXCXABSA-N 2 1 388.596 3.941 20 0 GHADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000246577778 879697696 /nfs/dbraw/zinc/69/76/96/879697696.db2.gz WNCHFRUITDJLEP-DENIHFKCSA-N 2 1 386.584 3.544 20 0 GHADMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461423118 879780483 /nfs/dbraw/zinc/78/04/83/879780483.db2.gz DPMTXPQWZFUKPF-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461423118 879780493 /nfs/dbraw/zinc/78/04/93/879780493.db2.gz DPMTXPQWZFUKPF-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP CC[NH+](C)[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000461423118 879780504 /nfs/dbraw/zinc/78/05/04/879780504.db2.gz DPMTXPQWZFUKPF-VXNXHJTFSA-N 2 1 391.559 3.660 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)[C@@H](OC)c3ccccc3)cc2)CC1 ZINC000493967660 879785822 /nfs/dbraw/zinc/78/58/22/879785822.db2.gz HNRCNBDTBXKIJI-GBXCKJPGSA-N 2 1 381.564 3.690 20 0 GHADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000246833909 879820736 /nfs/dbraw/zinc/82/07/36/879820736.db2.gz KFEMFOXWVSTKNY-DHIUTWEWSA-N 2 1 391.559 3.698 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000246833909 879820755 /nfs/dbraw/zinc/82/07/55/879820755.db2.gz KFEMFOXWVSTKNY-DHIUTWEWSA-N 2 1 391.559 3.698 20 0 GHADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)NC(c3ccccc3)c3ccccc3)CC[C@H]21 ZINC000246833909 879820774 /nfs/dbraw/zinc/82/07/74/879820774.db2.gz KFEMFOXWVSTKNY-DHIUTWEWSA-N 2 1 391.559 3.698 20 0 GHADMP C[C@H]1CC[C@H]([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCc3cccnc3)C2)C1 ZINC001170139794 879826769 /nfs/dbraw/zinc/82/67/69/879826769.db2.gz VZVJODSXSVXQCG-ZNEWLNCYSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001170139794 879826779 /nfs/dbraw/zinc/82/67/79/879826779.db2.gz VZVJODSXSVXQCG-ZNEWLNCYSA-N 2 1 383.580 3.821 20 0 GHADMP C[C@H]1CC[C@H]([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)C1 ZINC001170139794 879826794 /nfs/dbraw/zinc/82/67/94/879826794.db2.gz VZVJODSXSVXQCG-ZNEWLNCYSA-N 2 1 383.580 3.821 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246865788 879832503 /nfs/dbraw/zinc/83/25/03/879832503.db2.gz PWMNRXQGLMUWLI-QOKNQOGYSA-N 2 1 399.362 3.682 20 0 GHADMP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246865788 879832519 /nfs/dbraw/zinc/83/25/19/879832519.db2.gz PWMNRXQGLMUWLI-QOKNQOGYSA-N 2 1 399.362 3.682 20 0 GHADMP C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1Cl ZINC000246873925 879836353 /nfs/dbraw/zinc/83/63/53/879836353.db2.gz LOVYLIUOFWCJSE-SUNYJGFJSA-N 2 1 384.351 3.587 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000531482680 879927243 /nfs/dbraw/zinc/92/72/43/879927243.db2.gz XAGGFMIGCDLWDA-LJHODMEESA-N 2 1 397.485 3.830 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000531482680 879927248 /nfs/dbraw/zinc/92/72/48/879927248.db2.gz XAGGFMIGCDLWDA-LJHODMEESA-N 2 1 397.485 3.830 20 0 GHADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247313034 879967189 /nfs/dbraw/zinc/96/71/89/879967189.db2.gz HJLRGGBCIKZUGF-WOJBJXKFSA-N 2 1 378.605 3.547 20 0 GHADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494188178 880003316 /nfs/dbraw/zinc/00/33/16/880003316.db2.gz HQSQOKGXUFDNCF-IAGOWNOFSA-N 2 1 387.749 3.570 20 0 GHADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000247480258 880008366 /nfs/dbraw/zinc/00/83/66/880008366.db2.gz UJYAVUKLFHBYKN-PKOBYXMFSA-N 2 1 392.613 3.695 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000531646193 880250007 /nfs/dbraw/zinc/25/00/07/880250007.db2.gz HJNCWOVHMQSPIL-MRXNPFEDSA-N 2 1 381.511 3.536 20 0 GHADMP CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1)[NH+]1CCCC1 ZINC000531686577 880318072 /nfs/dbraw/zinc/31/80/72/880318072.db2.gz PMNYIAYHIXHSLF-WMLDXEAASA-N 2 1 382.346 3.630 20 0 GHADMP COc1ccc(-c2c[nH+]c(NCc3nc4c(s3)C[N@H+](C(C)C)CC4)n2C)cc1 ZINC000453052066 880400542 /nfs/dbraw/zinc/40/05/42/880400542.db2.gz NSOQHFNAAWTCBS-UHFFFAOYSA-N 2 1 397.548 3.931 20 0 GHADMP COCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453053382 880402131 /nfs/dbraw/zinc/40/21/31/880402131.db2.gz AGKJAAMTFXYOFR-ZRBLBEILSA-N 2 1 395.547 3.640 20 0 GHADMP COCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453053382 880402138 /nfs/dbraw/zinc/40/21/38/880402138.db2.gz AGKJAAMTFXYOFR-ZRBLBEILSA-N 2 1 395.547 3.640 20 0 GHADMP Clc1ccccc1C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCCO1 ZINC000453094039 880457959 /nfs/dbraw/zinc/45/79/59/880457959.db2.gz GJUBNTUWNCUOOR-RTWAWAEBSA-N 2 1 392.971 3.665 20 0 GHADMP c1ncn(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]4CCC[C@@H]43)cc2)n1 ZINC000453109392 880477295 /nfs/dbraw/zinc/47/72/95/880477295.db2.gz PKTQAVIQWNGRRG-TZRRMPRUSA-N 2 1 387.531 3.800 20 0 GHADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453403768 880871675 /nfs/dbraw/zinc/87/16/75/880871675.db2.gz OUQIVALUBDLFLA-CQSZACIVSA-N 2 1 382.346 3.630 20 0 GHADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCCC[N@H+](C)C2CC2)cc1 ZINC000453390094 880886681 /nfs/dbraw/zinc/88/66/81/880886681.db2.gz CXARRVGNOBANIW-NHCUHLMSSA-N 2 1 378.582 3.544 20 0 GHADMP C[C@H](C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000796696107 880900591 /nfs/dbraw/zinc/90/05/91/880900591.db2.gz QWXRCSOALJGVIP-SJORKVTESA-N 2 1 376.545 3.623 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)[C@H](C)C1 ZINC000119898455 881206379 /nfs/dbraw/zinc/20/63/79/881206379.db2.gz HTYWFVFNTJUXCY-XPKDYRNWSA-N 2 1 390.881 3.652 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000074001153 881215077 /nfs/dbraw/zinc/21/50/77/881215077.db2.gz VLCBNPNDMQCKAA-MSOLQXFVSA-N 2 1 378.605 3.592 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)[C@@H](C)C1 ZINC000858500533 883154218 /nfs/dbraw/zinc/15/42/18/883154218.db2.gz IJUPCZSHRQSMFD-HAGHYFMRSA-N 2 1 397.604 3.501 20 0 GHADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000537694407 883206135 /nfs/dbraw/zinc/20/61/35/883206135.db2.gz KHVAZAMNIZPHRJ-QKNQBKEWSA-N 2 1 376.541 3.558 20 0 GHADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000537694407 883206153 /nfs/dbraw/zinc/20/61/53/883206153.db2.gz KHVAZAMNIZPHRJ-QKNQBKEWSA-N 2 1 376.541 3.558 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000193296196 883211427 /nfs/dbraw/zinc/21/14/27/883211427.db2.gz AOCPTYFFLSSVAX-HXUWFJFHSA-N 2 1 386.584 3.736 20 0 GHADMP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476984789 883539259 /nfs/dbraw/zinc/53/92/59/883539259.db2.gz MVKPCMSZNWAPNE-RBUKOAKNSA-N 2 1 391.625 3.772 20 0 GHADMP CC[C@H]1CC([NH2+]C2CC[NH+](CCOC)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170474659 883569943 /nfs/dbraw/zinc/56/99/43/883569943.db2.gz JBAVONHIYDREFO-PMACEKPBSA-N 2 1 397.604 3.644 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551270163 883579553 /nfs/dbraw/zinc/57/95/53/883579553.db2.gz AATPCMPBEFMEAV-SFHVURJKSA-N 2 1 395.551 3.593 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551270163 883579564 /nfs/dbraw/zinc/57/95/64/883579564.db2.gz AATPCMPBEFMEAV-SFHVURJKSA-N 2 1 395.551 3.593 20 0 GHADMP CCN(C(=O)NCCCCn1cc[nH+]c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000136016762 883619813 /nfs/dbraw/zinc/61/98/13/883619813.db2.gz IPXAMJTZOREDET-UGKGYDQZSA-N 2 1 397.567 3.839 20 0 GHADMP CCN(C(=O)NCCCCn1cc[nH+]c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000136016762 883619824 /nfs/dbraw/zinc/61/98/24/883619824.db2.gz IPXAMJTZOREDET-UGKGYDQZSA-N 2 1 397.567 3.839 20 0 GHADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[C@H](C)C1 ZINC000186463684 883647671 /nfs/dbraw/zinc/64/76/71/883647671.db2.gz LMBMXBIQZNAZKX-BEFAXECRSA-N 2 1 397.485 3.630 20 0 GHADMP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1OCc1c(C)noc1C ZINC000194062228 883655638 /nfs/dbraw/zinc/65/56/38/883655638.db2.gz IFXWQRBYXFQHKA-UHFFFAOYSA-N 2 1 399.535 3.843 20 0 GHADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000194674148 883888941 /nfs/dbraw/zinc/88/89/41/883888941.db2.gz PCPIPXJXQRJTBB-OAQYLSRUSA-N 2 1 383.561 3.785 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000194815141 883952571 /nfs/dbraw/zinc/95/25/71/883952571.db2.gz PPPDDFINLDSYIZ-LJQANCHMSA-N 2 1 390.531 3.890 20 0 GHADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000194815141 883952582 /nfs/dbraw/zinc/95/25/82/883952582.db2.gz PPPDDFINLDSYIZ-LJQANCHMSA-N 2 1 390.531 3.890 20 0 GHADMP CN1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007246 /nfs/dbraw/zinc/00/72/46/884007246.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 2 1 393.575 3.568 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007264 /nfs/dbraw/zinc/00/72/64/884007264.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007278 /nfs/dbraw/zinc/00/72/78/884007278.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 3 1 393.575 3.568 20 0 GHADMP C[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007299 /nfs/dbraw/zinc/00/72/99/884007299.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 3 1 393.575 3.568 20 0 GHADMP C[NH+]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007319 /nfs/dbraw/zinc/00/73/19/884007319.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 3 1 393.575 3.568 20 0 GHADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556177631 884025064 /nfs/dbraw/zinc/02/50/64/884025064.db2.gz FKRAAWUZWGKPPM-KMDXXIMOSA-N 2 1 391.559 3.645 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000556177631 884025082 /nfs/dbraw/zinc/02/50/82/884025082.db2.gz FKRAAWUZWGKPPM-KMDXXIMOSA-N 2 1 391.559 3.645 20 0 GHADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000556230017 884165146 /nfs/dbraw/zinc/16/51/46/884165146.db2.gz KXDGBZJLMLZLHW-RJGXRXQPSA-N 2 1 386.580 3.710 20 0 GHADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177092 884381991 /nfs/dbraw/zinc/38/19/91/884381991.db2.gz LRUPSGJSAGCIDW-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177092 884382012 /nfs/dbraw/zinc/38/20/12/884382012.db2.gz LRUPSGJSAGCIDW-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168177092 884382029 /nfs/dbraw/zinc/38/20/29/884382029.db2.gz LRUPSGJSAGCIDW-UCNVEGJOSA-N 2 1 376.972 3.951 20 0 GHADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000806157528 884414398 /nfs/dbraw/zinc/41/43/98/884414398.db2.gz GVHRSXCOLSPHGE-UTBUEMAESA-N 2 1 382.470 3.987 20 0 GHADMP Cc1nccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000130556029 884775034 /nfs/dbraw/zinc/77/50/34/884775034.db2.gz USQCRFIBGCVSEJ-JOCHJYFZSA-N 2 1 379.504 3.620 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000130556029 884775049 /nfs/dbraw/zinc/77/50/49/884775049.db2.gz USQCRFIBGCVSEJ-JOCHJYFZSA-N 2 1 379.504 3.620 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000130556029 884775066 /nfs/dbraw/zinc/77/50/66/884775066.db2.gz USQCRFIBGCVSEJ-JOCHJYFZSA-N 2 1 379.504 3.620 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)cn1 ZINC000761913042 884958311 /nfs/dbraw/zinc/95/83/11/884958311.db2.gz RLJAAQLIQZZDLY-UHFFFAOYSA-N 2 1 386.459 3.889 20 0 GHADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000106388354 885050662 /nfs/dbraw/zinc/05/06/62/885050662.db2.gz HTYQSQHBJZOVNT-ZCYQVOJMSA-N 2 1 396.575 3.878 20 0 GHADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000106388354 885050678 /nfs/dbraw/zinc/05/06/78/885050678.db2.gz HTYQSQHBJZOVNT-ZCYQVOJMSA-N 2 1 396.575 3.878 20 0 GHADMP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000460388184 885237000 /nfs/dbraw/zinc/23/70/00/885237000.db2.gz QRRHZCKMJSRXRW-YLJYHZDGSA-N 2 1 379.504 3.845 20 0 GHADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000460388184 885237015 /nfs/dbraw/zinc/23/70/15/885237015.db2.gz QRRHZCKMJSRXRW-YLJYHZDGSA-N 2 1 379.504 3.845 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000045778966 885304958 /nfs/dbraw/zinc/30/49/58/885304958.db2.gz ZSNYKLUOEXUWBK-HXUWFJFHSA-N 2 1 398.595 3.831 20 0 GHADMP Cc1cc(F)ccc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000130906033 885325383 /nfs/dbraw/zinc/32/53/83/885325383.db2.gz JDSSFLZUFQYCIJ-UHFFFAOYSA-N 2 1 397.538 3.594 20 0 GHADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC000861346920 885419261 /nfs/dbraw/zinc/41/92/61/885419261.db2.gz DBVUXEMIFXJWQS-YPAWHYETSA-N 2 1 394.563 3.674 20 0 GHADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC000465487588 885480321 /nfs/dbraw/zinc/48/03/21/885480321.db2.gz DUEIHIJHHXYFKE-PMACEKPBSA-N 2 1 394.991 3.849 20 0 GHADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)cc1 ZINC000465487590 885480779 /nfs/dbraw/zinc/48/07/79/885480779.db2.gz DUEIHIJHHXYFKE-VQTJNVASSA-N 2 1 394.991 3.849 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[NH+]2CCCC2)o1 ZINC000072072537 885523517 /nfs/dbraw/zinc/52/35/17/885523517.db2.gz LTQQMACCVABMPQ-FCHUYYIVSA-N 2 1 395.547 3.753 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655768651 885531840 /nfs/dbraw/zinc/53/18/40/885531840.db2.gz LDNQGLRDKBZJIU-HXUWFJFHSA-N 2 1 378.495 3.932 20 0 GHADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655768651 885531855 /nfs/dbraw/zinc/53/18/55/885531855.db2.gz LDNQGLRDKBZJIU-HXUWFJFHSA-N 2 1 378.495 3.932 20 0 GHADMP CCc1cc(-c2noc([C@@H]3C[N@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1F ZINC001211917128 885563158 /nfs/dbraw/zinc/56/31/58/885563158.db2.gz WNZWEDLHMLDJKW-IBGZPJMESA-N 2 1 392.478 3.627 20 0 GHADMP CCc1cc(-c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CC34C[NH2+]C4)n2)ccc1F ZINC001211917128 885563167 /nfs/dbraw/zinc/56/31/67/885563167.db2.gz WNZWEDLHMLDJKW-IBGZPJMESA-N 2 1 392.478 3.627 20 0 GHADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C[NH+](C)Cc2ccccc2)cc1 ZINC000108064467 885572542 /nfs/dbraw/zinc/57/25/42/885572542.db2.gz UFXYWCAKKVALOP-FQEVSTJZSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[NH+](C)Cc2ccccc2)cc1 ZINC000108064467 885572546 /nfs/dbraw/zinc/57/25/46/885572546.db2.gz UFXYWCAKKVALOP-FQEVSTJZSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000108064467 885572555 /nfs/dbraw/zinc/57/25/55/885572555.db2.gz UFXYWCAKKVALOP-FQEVSTJZSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000108064467 885572562 /nfs/dbraw/zinc/57/25/62/885572562.db2.gz UFXYWCAKKVALOP-FQEVSTJZSA-N 2 1 379.548 3.809 20 0 GHADMP C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495421051 885752948 /nfs/dbraw/zinc/75/29/48/885752948.db2.gz NLQZSRBBHAAZIJ-PQNGQFLHSA-N 2 1 393.575 3.624 20 0 GHADMP COc1cccc2cc(C[NH2+]CCCN3CC[N@@H+](C)C[C@H]3c3ccccc3)oc21 ZINC000915228539 886072108 /nfs/dbraw/zinc/07/21/08/886072108.db2.gz DMJLOXVQTXGOSV-QFIPXVFZSA-N 2 1 393.531 3.910 20 0 GHADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)c(F)c1 ZINC000131452073 886099231 /nfs/dbraw/zinc/09/92/31/886099231.db2.gz ZQGSELATICBXOL-CQSZACIVSA-N 2 1 386.353 3.512 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000056162141 886179795 /nfs/dbraw/zinc/17/97/95/886179795.db2.gz QBECPTSGTCDEGF-JZXOWHBKSA-N 2 1 384.524 3.578 20 0 GHADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000056162141 886179812 /nfs/dbraw/zinc/17/98/12/886179812.db2.gz QBECPTSGTCDEGF-JZXOWHBKSA-N 2 1 384.524 3.578 20 0 GHADMP CCOC[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)Cc2cn(CC3CCCC3)nc21 ZINC001168321451 886384414 /nfs/dbraw/zinc/38/44/14/886384414.db2.gz HLARGTHFZKJAIO-ITAUSPCMSA-N 2 1 388.600 3.882 20 0 GHADMP C[C@H]([NH2+]C(C)(C)CNc1ncnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000119310363 886578849 /nfs/dbraw/zinc/57/88/49/886578849.db2.gz HOBOJNJMMZTURT-INIZCTEOSA-N 2 1 387.491 3.752 20 0 GHADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000808725838 886710276 /nfs/dbraw/zinc/71/02/76/886710276.db2.gz HBZHXYLKPVODPD-UEDWAMCQSA-N 2 1 379.589 3.780 20 0 GHADMP COc1ccccc1/C=C/C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537619440 886729223 /nfs/dbraw/zinc/72/92/23/886729223.db2.gz DUZLPHNBHNXWEI-SOFGYWHQSA-N 2 1 385.596 3.837 20 0 GHADMP COc1ccccc1/C=C/C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537619440 886729238 /nfs/dbraw/zinc/72/92/38/886729238.db2.gz DUZLPHNBHNXWEI-SOFGYWHQSA-N 3 1 385.596 3.837 20 0 GHADMP COc1ccccc1/C=C/C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537619440 886729251 /nfs/dbraw/zinc/72/92/51/886729251.db2.gz DUZLPHNBHNXWEI-SOFGYWHQSA-N 3 1 385.596 3.837 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000648805370 886868292 /nfs/dbraw/zinc/86/82/92/886868292.db2.gz SUXWFNSCKDVYSR-QZTJIDSGSA-N 2 1 384.524 3.756 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000648805370 886868296 /nfs/dbraw/zinc/86/82/96/886868296.db2.gz SUXWFNSCKDVYSR-QZTJIDSGSA-N 2 1 384.524 3.756 20 0 GHADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4C)ccc3OC)C2)CC1 ZINC000459345692 887525013 /nfs/dbraw/zinc/52/50/13/887525013.db2.gz WEGBTPULZSWWDV-QHCPKHFHSA-N 2 1 393.575 3.882 20 0 GHADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000809605510 887616903 /nfs/dbraw/zinc/61/69/03/887616903.db2.gz CYISYRCBNYNYPU-OAHLLOKOSA-N 2 1 379.346 3.841 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1nc2ccccn2c1Br ZINC000809605510 887616906 /nfs/dbraw/zinc/61/69/06/887616906.db2.gz CYISYRCBNYNYPU-OAHLLOKOSA-N 2 1 379.346 3.841 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000105172038 887766504 /nfs/dbraw/zinc/76/65/04/887766504.db2.gz NEOVVEZZQGPGOD-UHFFFAOYSA-N 2 1 386.584 3.592 20 0 GHADMP CC[NH+]1CCC(C[N@H+]2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001184411188 913209411 /nfs/dbraw/zinc/20/94/11/913209411.db2.gz UOBBCVAPLDKDFO-KNQAVFIVSA-N 2 1 379.589 3.735 20 0 GHADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000810145061 888212692 /nfs/dbraw/zinc/21/26/92/888212692.db2.gz QNTNYGMBUKLZNQ-NRMGUKERSA-N 2 1 380.479 3.924 20 0 GHADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000810163733 888254511 /nfs/dbraw/zinc/25/45/11/888254511.db2.gz GKFWBTIJHRFLDW-OPAMFIHVSA-N 2 1 399.539 3.558 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000763211312 888305129 /nfs/dbraw/zinc/30/51/29/888305129.db2.gz QTCODVJYHXEZTJ-IBGZPJMESA-N 2 1 389.584 3.630 20 0 GHADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000763211312 888305143 /nfs/dbraw/zinc/30/51/43/888305143.db2.gz QTCODVJYHXEZTJ-IBGZPJMESA-N 2 1 389.584 3.630 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CC3(CCCCC3)C2=O)CC1 ZINC000763211312 888305156 /nfs/dbraw/zinc/30/51/56/888305156.db2.gz QTCODVJYHXEZTJ-IBGZPJMESA-N 2 1 389.584 3.630 20 0 GHADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000465535443 889310147 /nfs/dbraw/zinc/31/01/47/889310147.db2.gz YCNVTQREOQFYAI-MOPGFXCFSA-N 2 1 380.602 3.647 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185233 889341781 /nfs/dbraw/zinc/34/17/81/889341781.db2.gz QBHWKBLGQTVUMV-VOQZNFBZSA-N 2 1 378.520 3.630 20 0 GHADMP CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000532975692 889481972 /nfs/dbraw/zinc/48/19/72/889481972.db2.gz PFEPQLKCXFSGSZ-FQEVSTJZSA-N 2 1 375.582 3.684 20 0 GHADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467420 889627443 /nfs/dbraw/zinc/62/74/43/889627443.db2.gz MFHWISDDQHBTFL-NLWGTHIKSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467420 889627449 /nfs/dbraw/zinc/62/74/49/889627449.db2.gz MFHWISDDQHBTFL-NLWGTHIKSA-N 2 1 379.589 3.875 20 0 GHADMP CC(C)C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NC(=O)OC(C)(C)C ZINC000811467420 889627454 /nfs/dbraw/zinc/62/74/54/889627454.db2.gz MFHWISDDQHBTFL-NLWGTHIKSA-N 2 1 379.589 3.875 20 0 GHADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000124486266 889646937 /nfs/dbraw/zinc/64/69/37/889646937.db2.gz ZNRSXUKEMBOKMI-UHFFFAOYSA-N 2 1 378.152 3.889 20 0 GHADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245773511 889690198 /nfs/dbraw/zinc/69/01/98/889690198.db2.gz XQKNITFSBPWUMN-WBDAEOGXSA-N 2 1 383.580 3.809 20 0 GHADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000916838176 890274968 /nfs/dbraw/zinc/27/49/68/890274968.db2.gz OCZSNBDOGVRZTN-BHDDXSALSA-N 2 1 399.579 3.796 20 0 GHADMP CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000870272599 890294349 /nfs/dbraw/zinc/29/43/49/890294349.db2.gz OIYNRKIDOYMYIV-JOCHJYFZSA-N 2 1 383.580 3.976 20 0 GHADMP [NH3+][C@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000870884349 890561030 /nfs/dbraw/zinc/56/10/30/890561030.db2.gz VVGSRVDQLBGERK-SHTZXODSSA-N 2 1 384.351 3.592 20 0 GHADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000916966447 890684957 /nfs/dbraw/zinc/68/49/57/890684957.db2.gz HAQSMDSZDJDPHA-HXUWFJFHSA-N 2 1 394.437 3.873 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)cc1 ZINC000127448697 891065693 /nfs/dbraw/zinc/06/56/93/891065693.db2.gz VKBROHYVFZJTIN-GOSISDBHSA-N 2 1 397.544 3.836 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@@H]3CCc4cc(F)cc(F)c4C3)C2)C1 ZINC001170690673 891103383 /nfs/dbraw/zinc/10/33/83/891103383.db2.gz UIDCVJMPSPOUKP-KNQAVFIVSA-N 2 1 378.507 3.645 20 0 GHADMP c1cc(N2CCCC2)oc1C[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001137066478 891426590 /nfs/dbraw/zinc/42/65/90/891426590.db2.gz SRCDCZIFIXJDJE-UHFFFAOYSA-N 2 1 380.536 3.763 20 0 GHADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(-n4cncn4)cc3Cl)CC2)[nH+]1 ZINC000128184013 891468196 /nfs/dbraw/zinc/46/81/96/891468196.db2.gz VIGNTFPSZPTNHK-MRXNPFEDSA-N 2 1 396.926 3.944 20 0 GHADMP Cc1c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cnn1-c1cccc(Cl)c1 ZINC000128245710 891502102 /nfs/dbraw/zinc/50/21/02/891502102.db2.gz FXETZZKNLSMGRA-QGZVFWFLSA-N 2 1 389.975 3.512 20 0 GHADMP C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000497416204 891532983 /nfs/dbraw/zinc/53/29/83/891532983.db2.gz JQJYZIKZXGJVGA-DHIUTWEWSA-N 2 1 377.532 3.500 20 0 GHADMP CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000873231332 891534350 /nfs/dbraw/zinc/53/43/50/891534350.db2.gz GLLRFKOGGMILOR-QFBILLFUSA-N 2 1 378.586 3.636 20 0 GHADMP CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000873231332 891534354 /nfs/dbraw/zinc/53/43/54/891534354.db2.gz GLLRFKOGGMILOR-QFBILLFUSA-N 2 1 378.586 3.636 20 0 GHADMP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128390181 891828950 /nfs/dbraw/zinc/82/89/50/891828950.db2.gz SESBCZYHAUJHFF-HXUWFJFHSA-N 2 1 396.417 3.778 20 0 GHADMP CN(C(=O)/C=C/c1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124746721 891897892 /nfs/dbraw/zinc/89/78/92/891897892.db2.gz HPROIGDBHNFCKS-LVIAPQIJSA-N 2 1 387.543 3.635 20 0 GHADMP CCO[C@@H]1C[C@@]([NH3+])(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1(C)C ZINC000261774954 892108374 /nfs/dbraw/zinc/10/83/74/892108374.db2.gz NIUJGABNYITLEF-XMSQKQJNSA-N 2 1 384.524 3.712 20 0 GHADMP C[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262662114 892393494 /nfs/dbraw/zinc/39/34/94/892393494.db2.gz YQLYPGXSBIYBPW-XKFLDVJKSA-N 2 1 379.548 3.595 20 0 GHADMP CCc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)ncn1 ZINC000508708597 892775230 /nfs/dbraw/zinc/77/52/30/892775230.db2.gz CUHTYEWFWPTGJM-LSWJPFSZSA-N 2 1 393.579 3.508 20 0 GHADMP C[C@H](Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508713698 892830811 /nfs/dbraw/zinc/83/08/11/892830811.db2.gz UNBWKNIGAHRKGT-FPOVZHCZSA-N 2 1 394.563 3.899 20 0 GHADMP CC(C)(C)OC(=O)N1CC([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000814639716 893029842 /nfs/dbraw/zinc/02/98/42/893029842.db2.gz BIOZYHLNLYDOTL-UHFFFAOYSA-N 2 1 385.552 3.594 20 0 GHADMP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)cc1 ZINC000933551482 893072891 /nfs/dbraw/zinc/07/28/91/893072891.db2.gz XYWWHYBJYTTWPX-QFIPXVFZSA-N 2 1 384.564 3.659 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn2cc[nH+]c12 ZINC000562914648 893143548 /nfs/dbraw/zinc/14/35/48/893143548.db2.gz NBPULOFFXAHXEC-MJGOQNOKSA-N 2 1 377.492 3.817 20 0 GHADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn2cc[nH+]c12 ZINC000562914648 893143552 /nfs/dbraw/zinc/14/35/52/893143552.db2.gz NBPULOFFXAHXEC-MJGOQNOKSA-N 2 1 377.492 3.817 20 0 GHADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000563159055 893415412 /nfs/dbraw/zinc/41/54/12/893415412.db2.gz FOFBZRMIBQUPQS-JOCHJYFZSA-N 2 1 377.532 3.510 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)cc1F ZINC000459401805 893428976 /nfs/dbraw/zinc/42/89/76/893428976.db2.gz YDVRXJMMRCDCER-QGZVFWFLSA-N 2 1 394.494 3.835 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C)(c4ccccc4)CC3)CC2)CC1 ZINC000563379758 893682238 /nfs/dbraw/zinc/68/22/38/893682238.db2.gz XKJPQCIGUNAGML-UHFFFAOYSA-N 2 1 397.607 3.763 20 0 GHADMP Cc1nnc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459524222 893727260 /nfs/dbraw/zinc/72/72/60/893727260.db2.gz BCCUHOQSMNKOJA-QFIPXVFZSA-N 2 1 381.568 3.780 20 0 GHADMP CCOc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(Br)c1O ZINC000459552202 893790097 /nfs/dbraw/zinc/79/00/97/893790097.db2.gz SKSKSWRPDKIZEU-MRXNPFEDSA-N 2 1 397.357 3.717 20 0 GHADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536834905 893907829 /nfs/dbraw/zinc/90/78/29/893907829.db2.gz SQEXOADWBQEOAA-IEBWSBKVSA-N 2 1 381.923 3.603 20 0 GHADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000069833313 893925936 /nfs/dbraw/zinc/92/59/36/893925936.db2.gz ONWSWEYHQYSSMX-KDURUIRLSA-N 2 1 398.547 3.993 20 0 GHADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000536852538 893936324 /nfs/dbraw/zinc/93/63/24/893936324.db2.gz NWXCGNNHFBYCKP-GDIGMMSISA-N 2 1 386.565 3.542 20 0 GHADMP C(C[NH+]1CCCC[C@@H]([C@H]2CCOC2)C1)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837800 893966272 /nfs/dbraw/zinc/96/62/72/893966272.db2.gz LKJUQOSCUYDIAK-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCCC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837800 893966281 /nfs/dbraw/zinc/96/62/81/893966281.db2.gz LKJUQOSCUYDIAK-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP C(C[NH+]1CCCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837800 893966286 /nfs/dbraw/zinc/96/62/86/893966286.db2.gz LKJUQOSCUYDIAK-ZCQNZVIGSA-N 2 1 378.601 3.654 20 0 GHADMP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000815562167 894000795 /nfs/dbraw/zinc/00/07/95/894000795.db2.gz YRBWNSVREGMWNW-SFHVURJKSA-N 2 1 399.510 3.646 20 0 GHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000815579409 894018196 /nfs/dbraw/zinc/01/81/96/894018196.db2.gz MOHVBESAEOKVJH-ZFWWWQNUSA-N 2 1 385.371 3.731 20 0 GHADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000815579407 894018967 /nfs/dbraw/zinc/01/89/67/894018967.db2.gz MOHVBESAEOKVJH-HIFRSBDPSA-N 2 1 385.371 3.731 20 0 GHADMP OC[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C[C@H]1c1ccccc1 ZINC000563654599 894029337 /nfs/dbraw/zinc/02/93/37/894029337.db2.gz FDYAQXYFPXFJQH-ZLOLNMDISA-N 2 1 376.544 3.653 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1c2ccccc2CCc2ccccc21 ZINC000563957663 894372312 /nfs/dbraw/zinc/37/23/12/894372312.db2.gz SKIYSLATAIDQFB-FCHUYYIVSA-N 2 1 389.543 3.771 20 0 GHADMP C[C@H]1[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCN1Cc1ccccc1 ZINC000645383314 913866565 /nfs/dbraw/zinc/86/65/65/913866565.db2.gz MVAYKUKULSPGJK-OFVILXPXSA-N 2 1 393.575 3.662 20 0 GHADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCC[C@H](c4ccccc4)O3)CC2)CC1 ZINC000878721807 894534085 /nfs/dbraw/zinc/53/40/85/894534085.db2.gz IYWPIJMVSFYNMD-BJKOFHAPSA-N 2 1 385.596 3.789 20 0 GHADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000537204126 894591447 /nfs/dbraw/zinc/59/14/47/894591447.db2.gz BPQNICKWRWGSEM-UHFFFAOYSA-N 2 1 375.738 3.645 20 0 GHADMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000537255548 894669293 /nfs/dbraw/zinc/66/92/93/894669293.db2.gz WGOYFSIZHPQOCP-JOCHJYFZSA-N 2 1 386.584 3.555 20 0 GHADMP Cc1ccc2[nH]c(C[NH+]3CCC(OCC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1C ZINC000564321559 894861326 /nfs/dbraw/zinc/86/13/26/894861326.db2.gz XNYAWEVYMAGUJP-RTBURBONSA-N 2 1 399.579 3.875 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)CCCCCC1 ZINC001135794065 895266798 /nfs/dbraw/zinc/26/67/98/895266798.db2.gz YQWFGCNGCHLHIM-NRFANRHFSA-N 2 1 389.559 3.951 20 0 GHADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)CCCCCC1 ZINC001135794065 895266810 /nfs/dbraw/zinc/26/68/10/895266810.db2.gz YQWFGCNGCHLHIM-NRFANRHFSA-N 2 1 389.559 3.951 20 0 GHADMP CCc1ccc([C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[NH+](CC)CC)cc1 ZINC000565094957 895387613 /nfs/dbraw/zinc/38/76/13/895387613.db2.gz WNYUWKUKYNILHR-RBBKRZOGSA-N 2 1 382.552 3.516 20 0 GHADMP [NH3+]C1(c2cccnc2)CC[NH+]([C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001170864615 895545630 /nfs/dbraw/zinc/54/56/30/895545630.db2.gz UDMDDDJWPADMIJ-IBGZPJMESA-N 2 1 386.337 3.651 20 0 GHADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000565389693 895584097 /nfs/dbraw/zinc/58/40/97/895584097.db2.gz FTKOMPFPUCUQFN-BGYRXZFFSA-N 2 1 392.609 3.510 20 0 GHADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCSCc3ccccc3)CC2)C[C@H](C)O1 ZINC000565389693 895584103 /nfs/dbraw/zinc/58/41/03/895584103.db2.gz FTKOMPFPUCUQFN-BGYRXZFFSA-N 2 1 392.609 3.510 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000565555679 895719474 /nfs/dbraw/zinc/71/94/74/895719474.db2.gz URXLENTWXLOYEP-NRFANRHFSA-N 2 1 393.575 3.811 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c4c(cc5c3CCC5)CCC4)CC2)CC1 ZINC000565667039 895796530 /nfs/dbraw/zinc/79/65/30/895796530.db2.gz NVUNXWRIZVIHHX-UHFFFAOYSA-N 2 1 395.591 3.799 20 0 GHADMP CC(C)(C)OC(=O)NCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000774910705 914007020 /nfs/dbraw/zinc/00/70/20/914007020.db2.gz VMAWBMJMDFUCJP-UHFFFAOYSA-N 2 1 387.568 3.889 20 0 GHADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902193 895956528 /nfs/dbraw/zinc/95/65/28/895956528.db2.gz KPCZIZXWIBQAMM-OWAUWMPXSA-N 2 1 390.527 3.847 20 0 GHADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000565884745 895957777 /nfs/dbraw/zinc/95/77/77/895957777.db2.gz LAUZCTNMVXFZAM-IBGZPJMESA-N 2 1 376.541 3.671 20 0 GHADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC000289113488 914040686 /nfs/dbraw/zinc/04/06/86/914040686.db2.gz NCSQJWSUUFEIAK-UHFFFAOYSA-N 2 1 386.483 3.654 20 0 GHADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC000289113488 914040704 /nfs/dbraw/zinc/04/07/04/914040704.db2.gz NCSQJWSUUFEIAK-UHFFFAOYSA-N 2 1 386.483 3.654 20 0 GHADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444232 896317943 /nfs/dbraw/zinc/31/79/43/896317943.db2.gz LCVCYYMWNGDLLF-OXFYSEKESA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444232 896317955 /nfs/dbraw/zinc/31/79/55/896317955.db2.gz LCVCYYMWNGDLLF-OXFYSEKESA-N 2 1 397.485 3.546 20 0 GHADMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000566444232 896317963 /nfs/dbraw/zinc/31/79/63/896317963.db2.gz LCVCYYMWNGDLLF-OXFYSEKESA-N 2 1 397.485 3.546 20 0 GHADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819275664 896560279 /nfs/dbraw/zinc/56/02/79/896560279.db2.gz ZWIJBODQUHFYCP-FXAWDEMLSA-N 2 1 394.437 3.730 20 0 GHADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)Cc3ccc(F)cc3)cc2)CC1 ZINC000819445943 896680913 /nfs/dbraw/zinc/68/09/13/896680913.db2.gz VRAGQYFALRBUCH-QHCPKHFHSA-N 2 1 385.527 3.619 20 0 GHADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567093549 896868566 /nfs/dbraw/zinc/86/85/66/896868566.db2.gz GRKKTEPZEKEGGD-JOCHJYFZSA-N 2 1 381.524 3.662 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3c(F)cccc3OC(F)(F)F)CC2)nc(C)[nH+]1 ZINC000567251248 897007853 /nfs/dbraw/zinc/00/78/53/897007853.db2.gz AAQNPHTVNFQLNT-UHFFFAOYSA-N 2 1 398.404 3.890 20 0 GHADMP C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000567563831 897253595 /nfs/dbraw/zinc/25/35/95/897253595.db2.gz LTESERCHKGUBRV-PKTZIBPZSA-N 2 1 383.580 3.622 20 0 GHADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c2ccccc21 ZINC000567579938 897267361 /nfs/dbraw/zinc/26/73/61/897267361.db2.gz ZCCMPEQCDUCMAJ-TUACAJSNSA-N 2 1 391.559 3.650 20 0 GHADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1)C1CC1 ZINC000567843052 897439608 /nfs/dbraw/zinc/43/96/08/897439608.db2.gz JKIKVOBVYQZKOL-UHFFFAOYSA-N 2 1 381.564 3.554 20 0 GHADMP CCCOc1c(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OCC ZINC000567870967 897463884 /nfs/dbraw/zinc/46/38/84/897463884.db2.gz BZNABUKYENHLCB-KRWDZBQOSA-N 2 1 396.959 3.715 20 0 GHADMP CCCOc1c(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OCC ZINC000567870967 897463886 /nfs/dbraw/zinc/46/38/86/897463886.db2.gz BZNABUKYENHLCB-KRWDZBQOSA-N 2 1 396.959 3.715 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001136397449 897639204 /nfs/dbraw/zinc/63/92/04/897639204.db2.gz FNSCVENZXZEWMS-IFMALSPDSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@@H]2C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC001136397449 897639207 /nfs/dbraw/zinc/63/92/07/897639207.db2.gz FNSCVENZXZEWMS-IFMALSPDSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001136397449 897639209 /nfs/dbraw/zinc/63/92/09/897639209.db2.gz FNSCVENZXZEWMS-IFMALSPDSA-N 2 1 385.596 3.976 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)c1 ZINC001136397449 897639213 /nfs/dbraw/zinc/63/92/13/897639213.db2.gz FNSCVENZXZEWMS-IFMALSPDSA-N 2 1 385.596 3.976 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3cccs3)C3CC3)CC2)CC1 ZINC000568184212 897659846 /nfs/dbraw/zinc/65/98/46/897659846.db2.gz OMGLTHNTLCRARL-HXUWFJFHSA-N 2 1 375.582 3.512 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000568192769 897666207 /nfs/dbraw/zinc/66/62/07/897666207.db2.gz SWTWZQHMYGGGFV-DEOSSOPVSA-N 2 1 383.580 3.551 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170960855 897796753 /nfs/dbraw/zinc/79/67/53/897796753.db2.gz IMIOYPFMWCUHBT-SFHVURJKSA-N 2 1 393.547 3.509 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000289475539 914203849 /nfs/dbraw/zinc/20/38/49/914203849.db2.gz JKRCURSWEJDQKW-WSTZPKSXSA-N 2 1 394.563 3.548 20 0 GHADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000289475539 914203865 /nfs/dbraw/zinc/20/38/65/914203865.db2.gz JKRCURSWEJDQKW-WSTZPKSXSA-N 2 1 394.563 3.548 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001136513071 898118365 /nfs/dbraw/zinc/11/83/65/898118365.db2.gz PAGKEXSZOGJXAG-QFIPXVFZSA-N 2 1 375.601 3.944 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001136542135 898214935 /nfs/dbraw/zinc/21/49/35/898214935.db2.gz YJOOXEHGQFLITJ-APWZRJJASA-N 2 1 399.501 3.683 20 0 GHADMP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)OCCc2ccccc21 ZINC000569396794 898615792 /nfs/dbraw/zinc/61/57/92/898615792.db2.gz NEVHJRKGTMESDP-MHECFPHRSA-N 2 1 391.515 3.946 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767394 898936319 /nfs/dbraw/zinc/93/63/19/898936319.db2.gz QIOWHTTXDNQMIY-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767394 898936322 /nfs/dbraw/zinc/93/63/22/898936322.db2.gz QIOWHTTXDNQMIY-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3cccc(C)c3)C2)s1 ZINC000569767394 898936329 /nfs/dbraw/zinc/93/63/29/898936329.db2.gz QIOWHTTXDNQMIY-WOJBJXKFSA-N 2 1 388.577 3.559 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210992 899196227 /nfs/dbraw/zinc/19/62/27/899196227.db2.gz QEMWIYDROMRXRZ-DHIUTWEWSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210992 899196234 /nfs/dbraw/zinc/19/62/34/899196234.db2.gz QEMWIYDROMRXRZ-DHIUTWEWSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210992 899196242 /nfs/dbraw/zinc/19/62/42/899196242.db2.gz QEMWIYDROMRXRZ-DHIUTWEWSA-N 2 1 376.548 3.636 20 0 GHADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(N5CCCC5)nc4)C[C@H]3C2)cc1 ZINC000570210992 899196251 /nfs/dbraw/zinc/19/62/51/899196251.db2.gz QEMWIYDROMRXRZ-DHIUTWEWSA-N 2 1 376.548 3.636 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000570212836 899198227 /nfs/dbraw/zinc/19/82/27/899198227.db2.gz SYWHBHUPDCZBOB-MSOLQXFVSA-N 2 1 377.941 3.792 20 0 GHADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cn1 ZINC000823677118 899203720 /nfs/dbraw/zinc/20/37/20/899203720.db2.gz PYLSFYWHUQWIHA-FUHWJXTLSA-N 2 1 399.539 3.701 20 0 GHADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823971603 899335046 /nfs/dbraw/zinc/33/50/46/899335046.db2.gz UDSNCWKXIJDFBV-RBUKOAKNSA-N 2 1 397.604 3.501 20 0 GHADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631926 899456662 /nfs/dbraw/zinc/45/66/62/899456662.db2.gz WIGKDDNEPSVTGB-QTJGBDASSA-N 2 1 399.623 3.910 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631926 899456665 /nfs/dbraw/zinc/45/66/65/899456665.db2.gz WIGKDDNEPSVTGB-QTJGBDASSA-N 2 1 399.623 3.910 20 0 GHADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@H](C)C1 ZINC000570631926 899456671 /nfs/dbraw/zinc/45/66/71/899456671.db2.gz WIGKDDNEPSVTGB-QTJGBDASSA-N 2 1 399.623 3.910 20 0 GHADMP O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000570646618 899468727 /nfs/dbraw/zinc/46/87/27/899468727.db2.gz IIAQXFNCALIYEJ-ACRUOGEOSA-N 2 1 378.520 3.586 20 0 GHADMP O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@@H]1CCCN1Cc1ccccc1 ZINC000570646618 899468732 /nfs/dbraw/zinc/46/87/32/899468732.db2.gz IIAQXFNCALIYEJ-ACRUOGEOSA-N 2 1 378.520 3.586 20 0 GHADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000570819390 899613397 /nfs/dbraw/zinc/61/33/97/899613397.db2.gz NDEVWYJAOLMYHW-RDPSFJRHSA-N 2 1 391.559 3.923 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001136918240 899751079 /nfs/dbraw/zinc/75/10/79/899751079.db2.gz KVKOKNMWFWFMMT-LJQANCHMSA-N 2 1 375.557 3.578 20 0 GHADMP COC(=O)CCc1c(C)[nH]c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1C ZINC001136918240 899751086 /nfs/dbraw/zinc/75/10/86/899751086.db2.gz KVKOKNMWFWFMMT-LJQANCHMSA-N 2 1 375.557 3.578 20 0 GHADMP CC[N@@H+](Cc1ccc(-c2nc([C@@H]3C[NH+]4CCC[C@@]4(C)CO3)no2)cc1)C(C)C ZINC000571481627 899882708 /nfs/dbraw/zinc/88/27/08/899882708.db2.gz JDLUKAWMFPZHFV-UGKGYDQZSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1)C(C)C ZINC000571481627 899882713 /nfs/dbraw/zinc/88/27/13/899882713.db2.gz JDLUKAWMFPZHFV-UGKGYDQZSA-N 2 1 384.524 3.893 20 0 GHADMP CC[NH+](Cc1ccc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1)C(C)C ZINC000571481627 899882717 /nfs/dbraw/zinc/88/27/17/899882717.db2.gz JDLUKAWMFPZHFV-UGKGYDQZSA-N 2 1 384.524 3.893 20 0 GHADMP C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)c1 ZINC000572143889 900079149 /nfs/dbraw/zinc/07/91/49/900079149.db2.gz ZJXGBPCVUREFQB-BXKJMJEDSA-N 2 1 390.568 3.520 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000134905001 900143983 /nfs/dbraw/zinc/14/39/83/900143983.db2.gz MYIOQYUAXWQNMI-QUCCMNQESA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134905001 900143992 /nfs/dbraw/zinc/14/39/92/900143992.db2.gz MYIOQYUAXWQNMI-QUCCMNQESA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134905001 900144000 /nfs/dbraw/zinc/14/40/00/900144000.db2.gz MYIOQYUAXWQNMI-QUCCMNQESA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134905001 900144006 /nfs/dbraw/zinc/14/40/06/900144006.db2.gz MYIOQYUAXWQNMI-QUCCMNQESA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134905001 900144029 /nfs/dbraw/zinc/14/40/29/900144029.db2.gz MYIOQYUAXWQNMI-QUCCMNQESA-N 2 1 377.573 3.582 20 0 GHADMP O=C(C1CC1)N1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000572787574 900277421 /nfs/dbraw/zinc/27/74/21/900277421.db2.gz AOWMELSYEQUVNJ-GMKZXUHWSA-N 2 1 395.591 3.668 20 0 GHADMP CSC1(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)CC[NH+](C)CC1 ZINC000573410900 900502452 /nfs/dbraw/zinc/50/24/52/900502452.db2.gz LYYZDVMCJGUFPU-GOSISDBHSA-N 2 1 378.973 3.580 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000573464541 900520404 /nfs/dbraw/zinc/52/04/04/900520404.db2.gz ZYPWIVCSWXKECB-SFHVURJKSA-N 2 1 391.987 3.933 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)C1 ZINC001186313416 914464906 /nfs/dbraw/zinc/46/49/06/914464906.db2.gz RURNQFCWJTZBRV-ZEQRLZLVSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)C1 ZINC001186313416 914464909 /nfs/dbraw/zinc/46/49/09/914464909.db2.gz RURNQFCWJTZBRV-ZEQRLZLVSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH+]2Cc2ccccc2)C1 ZINC001186313416 914464916 /nfs/dbraw/zinc/46/49/16/914464916.db2.gz RURNQFCWJTZBRV-ZEQRLZLVSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)C1 ZINC001186313416 914464921 /nfs/dbraw/zinc/46/49/21/914464921.db2.gz RURNQFCWJTZBRV-ZEQRLZLVSA-N 2 1 391.559 3.555 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)C1 ZINC001186313416 914464925 /nfs/dbraw/zinc/46/49/25/914464925.db2.gz RURNQFCWJTZBRV-ZEQRLZLVSA-N 2 1 391.559 3.555 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328174 900734239 /nfs/dbraw/zinc/73/42/39/900734239.db2.gz VGSAXCGQQSOWHH-RDJZCZTQSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328174 900734242 /nfs/dbraw/zinc/73/42/42/900734242.db2.gz VGSAXCGQQSOWHH-RDJZCZTQSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328174 900734245 /nfs/dbraw/zinc/73/42/45/900734245.db2.gz VGSAXCGQQSOWHH-RDJZCZTQSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](C)NC(=O)OC(C)(C)C)C2)s1 ZINC000844328174 900734249 /nfs/dbraw/zinc/73/42/49/900734249.db2.gz VGSAXCGQQSOWHH-RDJZCZTQSA-N 2 1 381.586 3.723 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844357248 900760602 /nfs/dbraw/zinc/76/06/02/900760602.db2.gz KDWHRKHFCNMIBC-RXVVDRJESA-N 2 1 376.545 3.599 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844357248 900760609 /nfs/dbraw/zinc/76/06/09/900760609.db2.gz KDWHRKHFCNMIBC-RXVVDRJESA-N 2 1 376.545 3.599 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000574140046 900792156 /nfs/dbraw/zinc/79/21/56/900792156.db2.gz IUTQDKFGRBMDLH-JOCHJYFZSA-N 2 1 392.547 3.755 20 0 GHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccn2)c1C ZINC000574981311 901077966 /nfs/dbraw/zinc/07/79/66/901077966.db2.gz VZCDQUAXRWOHAF-PWRODBHTSA-N 2 1 381.520 3.737 20 0 GHADMP Cc1cccc(Oc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccn2)c1C ZINC000574981310 901078296 /nfs/dbraw/zinc/07/82/96/901078296.db2.gz VZCDQUAXRWOHAF-PCCBWWKXSA-N 2 1 381.520 3.737 20 0 GHADMP Cc1[nH]c(C2CC[NH+]([C@H]3CCN([C@@H](C)c4ccc(F)cc4)C3=O)CC2)[nH+]c1C ZINC000886660938 901212438 /nfs/dbraw/zinc/21/24/38/901212438.db2.gz IPKPSTPCYXBFIS-JXFKEZNVSA-N 2 1 384.499 3.707 20 0 GHADMP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)O2)[C@H]1C ZINC000886772010 901265032 /nfs/dbraw/zinc/26/50/32/901265032.db2.gz RGQWXTIUAWROHX-PZSVEXKASA-N 2 1 384.564 3.744 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cnccc1Cl)CC2 ZINC001137232179 901374072 /nfs/dbraw/zinc/37/40/72/901374072.db2.gz GVBPNFOBSCKVEO-QGZVFWFLSA-N 2 1 375.900 3.584 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001144343796 901841461 /nfs/dbraw/zinc/84/14/61/901841461.db2.gz SPTIGOUDHWYVLO-UXHICEINSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001144343796 901841465 /nfs/dbraw/zinc/84/14/65/901841465.db2.gz SPTIGOUDHWYVLO-UXHICEINSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1[nH]ccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001144343796 901841472 /nfs/dbraw/zinc/84/14/72/901841472.db2.gz SPTIGOUDHWYVLO-UXHICEINSA-N 2 1 381.520 3.535 20 0 GHADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000576707294 902206391 /nfs/dbraw/zinc/20/63/91/902206391.db2.gz LIRMMEMQNNJGFZ-IRLDBZIGSA-N 2 1 385.577 3.647 20 0 GHADMP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001144460235 902229991 /nfs/dbraw/zinc/22/99/91/902229991.db2.gz CPEQHDDLFSVWKK-NHCUHLMSSA-N 2 1 389.971 3.781 20 0 GHADMP Brc1ccc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc2c1 ZINC000576837153 902293547 /nfs/dbraw/zinc/29/35/47/902293547.db2.gz FKSKBNALKQQQPX-AWEZNQCLSA-N 2 1 393.325 3.786 20 0 GHADMP Cc1[nH+]ccn1CCNC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000646533888 914623987 /nfs/dbraw/zinc/62/39/87/914623987.db2.gz NTCDZBWIYORNPX-UHFFFAOYSA-N 2 1 387.553 3.591 20 0 GHADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)C[C@@H]3C)CC2)CC1 ZINC000577229983 902602199 /nfs/dbraw/zinc/60/21/99/902602199.db2.gz VADYRZYOFVCVAV-REWPJTCUSA-N 2 1 397.607 3.977 20 0 GHADMP CCOc1cccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000263961032 902719366 /nfs/dbraw/zinc/71/93/66/902719366.db2.gz OYISLAIMTSYWNT-UHFFFAOYSA-N 2 1 398.547 3.865 20 0 GHADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000577377295 902724613 /nfs/dbraw/zinc/72/46/13/902724613.db2.gz GQRGUXMWCXRHLT-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378451 902725119 /nfs/dbraw/zinc/72/51/19/902725119.db2.gz WDYPUCMCKSEQNL-LJQANCHMSA-N 2 1 397.588 3.790 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378451 902725134 /nfs/dbraw/zinc/72/51/34/902725134.db2.gz WDYPUCMCKSEQNL-LJQANCHMSA-N 2 1 397.588 3.790 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCc4ccccc43)C2)s1 ZINC000577378451 902725152 /nfs/dbraw/zinc/72/51/52/902725152.db2.gz WDYPUCMCKSEQNL-LJQANCHMSA-N 2 1 397.588 3.790 20 0 GHADMP C[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000577866583 903286591 /nfs/dbraw/zinc/28/65/91/903286591.db2.gz WAJVHTOEOPFMFH-NZQKXSOJSA-N 2 1 391.559 3.837 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+]1CC(C)C1 ZINC000577885446 903309135 /nfs/dbraw/zinc/30/91/35/903309135.db2.gz JZCZZWXUNIMZSC-HHXXYDBFSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)[NH+]1CC(C)C1 ZINC000577885446 903309146 /nfs/dbraw/zinc/30/91/46/903309146.db2.gz JZCZZWXUNIMZSC-HHXXYDBFSA-N 2 1 397.485 3.545 20 0 GHADMP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1)C1CCCCC1 ZINC001144992040 903318544 /nfs/dbraw/zinc/31/85/44/903318544.db2.gz DMGXGCZIIMWPOE-JOCHJYFZSA-N 2 1 386.584 3.597 20 0 GHADMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1)C1CCCCC1 ZINC001144992040 903318552 /nfs/dbraw/zinc/31/85/52/903318552.db2.gz DMGXGCZIIMWPOE-JOCHJYFZSA-N 2 1 386.584 3.597 20 0 GHADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)C1CCCCC1 ZINC001144992040 903318560 /nfs/dbraw/zinc/31/85/60/903318560.db2.gz DMGXGCZIIMWPOE-JOCHJYFZSA-N 2 1 386.584 3.597 20 0 GHADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)C1CCCCC1 ZINC001144992040 903318571 /nfs/dbraw/zinc/31/85/71/903318571.db2.gz DMGXGCZIIMWPOE-JOCHJYFZSA-N 2 1 386.584 3.597 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000578002007 903435337 /nfs/dbraw/zinc/43/53/37/903435337.db2.gz BCOZOSFRWYPDRH-GJZGRUSLSA-N 2 1 387.337 3.610 20 0 GHADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000578002007 903435342 /nfs/dbraw/zinc/43/53/42/903435342.db2.gz BCOZOSFRWYPDRH-GJZGRUSLSA-N 2 1 387.337 3.610 20 0 GHADMP CC[NH+]1CCC(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)CC1 ZINC001146787399 903609636 /nfs/dbraw/zinc/60/96/36/903609636.db2.gz SOXFEWYPCAHGGQ-NRFANRHFSA-N 2 1 377.532 3.934 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC001147479964 903797643 /nfs/dbraw/zinc/79/76/43/903797643.db2.gz ZOODEWNUCHMSKQ-LPHOPBHVSA-N 2 1 399.501 3.936 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC001147667167 903844425 /nfs/dbraw/zinc/84/44/25/903844425.db2.gz JDRQQGOGOBBXDK-CTNGQTDRSA-N 2 1 385.577 3.665 20 0 GHADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000578769287 904106984 /nfs/dbraw/zinc/10/69/84/904106984.db2.gz PMATWKQMHJKWIN-CVEARBPZSA-N 2 1 378.442 3.917 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000773014178 904373645 /nfs/dbraw/zinc/37/36/45/904373645.db2.gz ITCADQQUNMWUBG-FHLIZLRMSA-N 2 1 389.367 3.753 20 0 GHADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889827674 904783584 /nfs/dbraw/zinc/78/35/84/904783584.db2.gz LVJVUYKXWCTBKH-SFHVURJKSA-N 2 1 384.568 3.626 20 0 GHADMP COc1nccnc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000579673313 904797688 /nfs/dbraw/zinc/79/76/88/904797688.db2.gz DUUJTHBMTCIZSB-WQHGSSGSSA-N 2 1 386.927 3.842 20 0 GHADMP COc1nccnc1C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000579673313 904797693 /nfs/dbraw/zinc/79/76/93/904797693.db2.gz DUUJTHBMTCIZSB-WQHGSSGSSA-N 2 1 386.927 3.842 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001171590993 904817981 /nfs/dbraw/zinc/81/79/81/904817981.db2.gz FMRHTVQSFWIVIL-LMMKCTJWSA-N 2 1 378.561 3.985 20 0 GHADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001171590993 904817994 /nfs/dbraw/zinc/81/79/94/904817994.db2.gz FMRHTVQSFWIVIL-LMMKCTJWSA-N 2 1 378.561 3.985 20 0 GHADMP Cc1cccc2c1CC[C@H]([N@@H+]1CCc3ncc(C[NH+]4CCCCC4)n3CC1)C2 ZINC001171573186 904840842 /nfs/dbraw/zinc/84/08/42/904840842.db2.gz VGYNWTBFLXBWDI-NRFANRHFSA-N 2 1 378.564 3.593 20 0 GHADMP COC(=O)[C@H]1C[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C[C@@H]1c1ccc(F)cc1 ZINC001171641922 904932437 /nfs/dbraw/zinc/93/24/37/904932437.db2.gz WDGXKVZZSYJVID-MOPGFXCFSA-N 2 1 376.516 3.666 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC001171714740 904942442 /nfs/dbraw/zinc/94/24/42/904942442.db2.gz UJPYEBHZNPBXDO-JLMWRMLUSA-N 2 1 383.511 3.646 20 0 GHADMP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1F ZINC001171714740 904942454 /nfs/dbraw/zinc/94/24/54/904942454.db2.gz UJPYEBHZNPBXDO-JLMWRMLUSA-N 2 1 383.511 3.646 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000796345090 914875019 /nfs/dbraw/zinc/87/50/19/914875019.db2.gz ZTPBXKMIIGKVJK-SESVDKBCSA-N 2 1 384.593 3.595 20 0 GHADMP C[NH+](C)Cc1cnc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000796345090 914875046 /nfs/dbraw/zinc/87/50/46/914875046.db2.gz ZTPBXKMIIGKVJK-SESVDKBCSA-N 2 1 384.593 3.595 20 0 GHADMP CN1C(=O)CCC12CCC([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC001171970062 905216277 /nfs/dbraw/zinc/21/62/77/905216277.db2.gz XVIGBZAEULHULN-DQBMGFJSSA-N 2 1 383.580 3.953 20 0 GHADMP CC1(C)C[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2F)CC[N@H+]1Cc1ccccc1 ZINC001171976430 905223722 /nfs/dbraw/zinc/22/37/22/905223722.db2.gz LCYWXAUFABPTOK-NHCUHLMSSA-N 2 1 388.502 3.901 20 0 GHADMP CC1(C)C[C@H]([NH2+]CCNC(=O)Nc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001171982747 905238258 /nfs/dbraw/zinc/23/82/58/905238258.db2.gz KOWRTXQISPVRGZ-OAQYLSRUSA-N 2 1 380.536 3.841 20 0 GHADMP CC1(C)C[C@@H]([NH+]2CCC(N3CCCOC3=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171985830 905243772 /nfs/dbraw/zinc/24/37/72/905243772.db2.gz CESNLUYCAUJCJH-NRFANRHFSA-N 2 1 385.552 3.736 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC3(CN(c4ccccc4)C3=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171986218 905243959 /nfs/dbraw/zinc/24/39/59/905243959.db2.gz FVUPTYOXNHJTBU-JOCHJYFZSA-N 2 1 389.543 3.778 20 0 GHADMP CC1(C)C[C@H]([NH+]2CC3(CN(c4ccccc4)C3=O)C2)CC[N@H+]1Cc1ccccc1 ZINC001171986218 905243977 /nfs/dbraw/zinc/24/39/77/905243977.db2.gz FVUPTYOXNHJTBU-JOCHJYFZSA-N 2 1 389.543 3.778 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@H](Oc3cnccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171985883 905244901 /nfs/dbraw/zinc/24/49/01/905244901.db2.gz CRJYCNZEDWCPLI-RTWAWAEBSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([NH+]2CCC[C@H](Oc3cnccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC001171985883 905244913 /nfs/dbraw/zinc/24/49/13/905244913.db2.gz CRJYCNZEDWCPLI-RTWAWAEBSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([N@@H+]2CCC[C@H](Oc3cnccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985883 905244929 /nfs/dbraw/zinc/24/49/29/905244929.db2.gz CRJYCNZEDWCPLI-RTWAWAEBSA-N 2 1 380.536 3.763 20 0 GHADMP CC1(C)C[C@H]([N@H+]2CCC[C@H](Oc3cnccn3)C2)CC[NH+]1Cc1ccccc1 ZINC001171985883 905244941 /nfs/dbraw/zinc/24/49/41/905244941.db2.gz CRJYCNZEDWCPLI-RTWAWAEBSA-N 2 1 380.536 3.763 20 0 GHADMP COc1ccnc(O[C@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987202 905249339 /nfs/dbraw/zinc/24/93/39/905249339.db2.gz RAWSBMOUDZAFJB-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987202 905249352 /nfs/dbraw/zinc/24/93/52/905249352.db2.gz RAWSBMOUDZAFJB-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP COc1ccnc(O[C@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)C(C)(C)C3)C2)c1 ZINC001171987202 905249360 /nfs/dbraw/zinc/24/93/60/905249360.db2.gz RAWSBMOUDZAFJB-IRLDBZIGSA-N 2 1 395.547 3.987 20 0 GHADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172060743 905262223 /nfs/dbraw/zinc/26/22/23/905262223.db2.gz RMFSQLIEPJVHGU-QGZVFWFLSA-N 2 1 376.545 3.968 20 0 GHADMP [NH2+]=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnc2ccc(F)cn12 ZINC001172070966 905272960 /nfs/dbraw/zinc/27/29/60/905272960.db2.gz UCCMYKUAWYBILH-ACDBMABISA-N 2 1 391.494 3.974 20 0 GHADMP O[C@@]1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOc2ccccc21 ZINC001172071926 905276297 /nfs/dbraw/zinc/27/62/97/905276297.db2.gz JMTDMKPJYTXTDF-ILSIFQBBSA-N 2 1 392.543 3.832 20 0 GHADMP O=C(C1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1)N1CCCC1 ZINC001172075468 905285209 /nfs/dbraw/zinc/28/52/09/905285209.db2.gz RAWWDYRLGLUFOI-BKFWDETESA-N 2 1 395.591 3.907 20 0 GHADMP CC(C)C(=O)NC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172076184 905288280 /nfs/dbraw/zinc/28/82/80/905288280.db2.gz WOENDOVLBIYZJF-JKHIJQBDSA-N 2 1 383.580 3.809 20 0 GHADMP OC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076300 905288534 /nfs/dbraw/zinc/28/85/34/905288534.db2.gz HRWDQJJEPNLEDJ-NEWJYFPISA-N 2 1 382.523 3.904 20 0 GHADMP c1csc(N2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)n1 ZINC001172080817 905294249 /nfs/dbraw/zinc/29/42/49/905294249.db2.gz XDPVKHNXXOTCCJ-AERCQKQUSA-N 2 1 382.577 3.851 20 0 GHADMP Cc1cncnc1O[C@H]1CC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172088819 905305498 /nfs/dbraw/zinc/30/54/98/905305498.db2.gz OPVUWGFSERFZJG-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172088819 905305516 /nfs/dbraw/zinc/30/55/16/905305516.db2.gz OPVUWGFSERFZJG-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP Cc1cncnc1O[C@H]1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172088819 905305534 /nfs/dbraw/zinc/30/55/34/905305534.db2.gz OPVUWGFSERFZJG-AFXVXQJMSA-N 2 1 392.547 3.824 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@]1(F)CCCCN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100127 905322277 /nfs/dbraw/zinc/32/22/77/905322277.db2.gz PHJMIEYWCMHNKU-DCXXXQMHSA-N 2 1 383.552 3.721 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000174688101 905323746 /nfs/dbraw/zinc/32/37/46/905323746.db2.gz WDUZMEMCBZIXIB-UHFFFAOYSA-N 2 1 398.551 3.584 20 0 GHADMP CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000174688101 905323760 /nfs/dbraw/zinc/32/37/60/905323760.db2.gz WDUZMEMCBZIXIB-UHFFFAOYSA-N 2 1 398.551 3.584 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(c1ncnc3ccccc31)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001172109981 905355786 /nfs/dbraw/zinc/35/57/86/905355786.db2.gz HVUWJEHYZOSPST-CCQCEHTISA-N 2 1 379.552 3.721 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172114649 905361587 /nfs/dbraw/zinc/36/15/87/905361587.db2.gz OYLZPVAKTSEYBC-REPLKXPHSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1CCC3(CN(C(=O)OC(C)(C)C)C3)CC1)C2 ZINC001172114649 905361605 /nfs/dbraw/zinc/36/16/05/905361605.db2.gz OYLZPVAKTSEYBC-REPLKXPHSA-N 2 1 377.573 3.771 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001172113297 905362886 /nfs/dbraw/zinc/36/28/86/905362886.db2.gz IEQYRSBLINDIGV-PMOLBWCYSA-N 2 1 381.486 3.838 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001172113297 905362908 /nfs/dbraw/zinc/36/29/08/905362908.db2.gz IEQYRSBLINDIGV-PMOLBWCYSA-N 2 1 381.486 3.838 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115528 905369378 /nfs/dbraw/zinc/36/93/78/905369378.db2.gz BSDCQPODSMTWSF-KBOSCXGNSA-N 2 1 395.591 3.559 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115528 905369389 /nfs/dbraw/zinc/36/93/89/905369389.db2.gz BSDCQPODSMTWSF-KBOSCXGNSA-N 2 1 395.591 3.559 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CCCN(C(=O)Cc1ccccc1)C3)C2 ZINC001172115528 905369402 /nfs/dbraw/zinc/36/94/02/905369402.db2.gz BSDCQPODSMTWSF-KBOSCXGNSA-N 2 1 395.591 3.559 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC1)c1ccccc1N(CC1CC1)C3=O)C2 ZINC001172117594 905372518 /nfs/dbraw/zinc/37/25/18/905372518.db2.gz QQSOKPMKSNWMEJ-AERCQKQUSA-N 2 1 393.575 3.792 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C2 ZINC001172121834 905379636 /nfs/dbraw/zinc/37/96/36/905379636.db2.gz UAZSNULCOZQOEC-IHZGOTPNSA-N 2 1 395.563 3.673 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C2 ZINC001172121834 905379650 /nfs/dbraw/zinc/37/96/50/905379650.db2.gz UAZSNULCOZQOEC-IHZGOTPNSA-N 2 1 395.563 3.673 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CC[C@]3(C1)CN(C(=O)OC(C)(C)C)CC[C@H]3F)C2 ZINC001172121834 905379661 /nfs/dbraw/zinc/37/96/61/905379661.db2.gz UAZSNULCOZQOEC-IHZGOTPNSA-N 2 1 395.563 3.673 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CCCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001172120226 905380716 /nfs/dbraw/zinc/38/07/16/905380716.db2.gz AXWWAVPEWMLFST-REPLKXPHSA-N 2 1 377.573 3.725 20 0 GHADMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122304 905382240 /nfs/dbraw/zinc/38/22/40/905382240.db2.gz ZJRZHYVWHPMLRQ-QTMHVTGLSA-N 2 1 395.563 3.577 20 0 GHADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122304 905382257 /nfs/dbraw/zinc/38/22/57/905382257.db2.gz ZJRZHYVWHPMLRQ-QTMHVTGLSA-N 2 1 395.563 3.577 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122304 905382279 /nfs/dbraw/zinc/38/22/79/905382279.db2.gz ZJRZHYVWHPMLRQ-QTMHVTGLSA-N 2 1 395.563 3.577 20 0 GHADMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C1)C2 ZINC001172122304 905382289 /nfs/dbraw/zinc/38/22/89/905382289.db2.gz ZJRZHYVWHPMLRQ-QTMHVTGLSA-N 2 1 395.563 3.577 20 0 GHADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1 ZINC001172122463 905384993 /nfs/dbraw/zinc/38/49/93/905384993.db2.gz BJNWHMJIKVPSBE-KAOXLYBCSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@@H]2CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC001172122463 905385011 /nfs/dbraw/zinc/38/50/11/905385011.db2.gz BJNWHMJIKVPSBE-KAOXLYBCSA-N 2 1 385.596 3.997 20 0 GHADMP COc1ccc(C[NH+]2CCCC[C@@H]2CN(C)[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001172122463 905385026 /nfs/dbraw/zinc/38/50/26/905385026.db2.gz BJNWHMJIKVPSBE-KAOXLYBCSA-N 2 1 385.596 3.997 20 0 GHADMP COCCC[NH+]1CCC([N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC001172257911 905450159 /nfs/dbraw/zinc/45/01/59/905450159.db2.gz SDIWOSJAEQZXOX-FQEVSTJZSA-N 2 1 395.385 3.957 20 0 GHADMP COCCC[NH+]1CCC([N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC001172257911 905450183 /nfs/dbraw/zinc/45/01/83/905450183.db2.gz SDIWOSJAEQZXOX-FQEVSTJZSA-N 2 1 395.385 3.957 20 0 GHADMP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3O[C@@H](COCC4CC[NH+](C)CC4)CC[C@H]32)C[C@@H]1C ZINC001172376695 905488273 /nfs/dbraw/zinc/48/82/73/905488273.db2.gz JSIWRDWIESOOMS-XSQFVWFVSA-N 2 1 378.601 3.791 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172335161 905501232 /nfs/dbraw/zinc/50/12/32/905501232.db2.gz FXZFBXYQBFPJPG-MXZFZVOGSA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2CC2CC2)C1 ZINC001172335161 905501240 /nfs/dbraw/zinc/50/12/40/905501240.db2.gz FXZFBXYQBFPJPG-MXZFZVOGSA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001172335161 905501253 /nfs/dbraw/zinc/50/12/53/905501253.db2.gz FXZFBXYQBFPJPG-MXZFZVOGSA-N 2 1 388.600 3.652 20 0 GHADMP CC[C@@H](C)OCC[C@H](C)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001172335161 905501263 /nfs/dbraw/zinc/50/12/63/905501263.db2.gz FXZFBXYQBFPJPG-MXZFZVOGSA-N 2 1 388.600 3.652 20 0 GHADMP CC(C)OCC[C@H](C)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001172458672 905575487 /nfs/dbraw/zinc/57/54/87/905575487.db2.gz FLMWRHCZIJGZJE-SFHVURJKSA-N 2 1 397.604 3.644 20 0 GHADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC001172615081 905671889 /nfs/dbraw/zinc/67/18/89/905671889.db2.gz FVBKUYVCOSFWHK-NVXWUHKLSA-N 2 1 387.911 3.742 20 0 GHADMP CCCC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644908 905707048 /nfs/dbraw/zinc/70/70/48/905707048.db2.gz AWZLNBOHRJYMMU-NNMXDRDESA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644908 905707054 /nfs/dbraw/zinc/70/70/54/905707054.db2.gz AWZLNBOHRJYMMU-NNMXDRDESA-N 2 1 379.589 3.972 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC001172644908 905707062 /nfs/dbraw/zinc/70/70/62/905707062.db2.gz AWZLNBOHRJYMMU-NNMXDRDESA-N 2 1 379.589 3.972 20 0 GHADMP O=C1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1Cc1ccccc1 ZINC001172663789 905726670 /nfs/dbraw/zinc/72/66/70/905726670.db2.gz QCTBMMIKLIQRQN-DNQXCXABSA-N 2 1 391.559 3.679 20 0 GHADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667585 905752203 /nfs/dbraw/zinc/75/22/03/905752203.db2.gz GRVVTEUXFYSBAK-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172667585 905752215 /nfs/dbraw/zinc/75/22/15/905752215.db2.gz GRVVTEUXFYSBAK-QDSKXPNFSA-N 2 1 391.559 3.678 20 0 GHADMP Clc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](N3CC[NH+](CC4CC4)CC3)CC1)C2 ZINC001172713271 905794725 /nfs/dbraw/zinc/79/47/25/905794725.db2.gz PTFKDBFNBFOQEK-VABKMULXSA-N 2 1 387.999 3.736 20 0 GHADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC[C@@H]21 ZINC001172714569 905797069 /nfs/dbraw/zinc/79/70/69/905797069.db2.gz BYBVHKVQDKGALU-LGKPFJOYSA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC[C@@H]21 ZINC001172714569 905797076 /nfs/dbraw/zinc/79/70/76/905797076.db2.gz BYBVHKVQDKGALU-LGKPFJOYSA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc(Cl)cc4C3)CC[C@@H]21 ZINC001172714569 905797085 /nfs/dbraw/zinc/79/70/85/905797085.db2.gz BYBVHKVQDKGALU-LGKPFJOYSA-N 2 1 398.982 3.877 20 0 GHADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H]3Cc4ccc(Cl)cc4C3)CC[C@@H]21 ZINC001172714569 905797094 /nfs/dbraw/zinc/79/70/94/905797094.db2.gz BYBVHKVQDKGALU-LGKPFJOYSA-N 2 1 398.982 3.877 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172774441 905814816 /nfs/dbraw/zinc/81/48/16/905814816.db2.gz BIDHLSWZHYJJBX-MXEMCNAFSA-N 2 1 388.552 3.889 20 0 GHADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC([NH+](CC)CC)CC3)cc2)CC1 ZINC001173103647 906190902 /nfs/dbraw/zinc/19/09/02/906190902.db2.gz NBDHVRYZHVUBCA-UHFFFAOYSA-N 3 1 386.628 3.567 20 0 GHADMP COc1cccc2c1C[C@H]([NH+]1CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC1)CO2 ZINC001173154202 906241542 /nfs/dbraw/zinc/24/15/42/906241542.db2.gz LEPQULUXLGXDGU-MBSDFSHPSA-N 2 1 396.531 3.968 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H](C)Cc3ccc(CC)cc3)CC2)C1 ZINC001173239786 906352110 /nfs/dbraw/zinc/35/21/10/906352110.db2.gz JXZKDQYKVBHZMQ-DENIHFKCSA-N 2 1 386.580 3.920 20 0 GHADMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+]([C@H](C)Cc3ccc(CC)cc3)CC2)C1 ZINC001173239786 906352143 /nfs/dbraw/zinc/35/21/43/906352143.db2.gz JXZKDQYKVBHZMQ-DENIHFKCSA-N 2 1 386.580 3.920 20 0 GHADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCC[NH+]3CCC(O)CC3)s2)cc1 ZINC000178522192 906355180 /nfs/dbraw/zinc/35/51/80/906355180.db2.gz TVHDNUWPZKSTHN-OAHLLOKOSA-N 2 1 389.565 3.625 20 0 GHADMP CCSC[C@@H](C)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001173307192 906363117 /nfs/dbraw/zinc/36/31/17/906363117.db2.gz DBENVUGKLBGXNT-MRXNPFEDSA-N 2 1 385.618 3.582 20 0 GHADMP CCN1CC[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173357353 906392545 /nfs/dbraw/zinc/39/25/45/906392545.db2.gz JKSNYIFJBLVHQQ-FHWLQOOXSA-N 2 1 380.374 3.615 20 0 GHADMP [NH3+]C1(c2ccccc2)CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173415242 906444016 /nfs/dbraw/zinc/44/40/16/906444016.db2.gz UEONZLHWHBWUAP-UHFFFAOYSA-N 2 1 397.950 3.895 20 0 GHADMP [NH3+]CCc1cc2ccccc2n1C1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC001173463856 906502957 /nfs/dbraw/zinc/50/29/57/906502957.db2.gz OCKPKAMPGUMPQM-UHFFFAOYSA-N 2 1 391.515 3.523 20 0 GHADMP CCCCS[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365910958 921244580 /nfs/dbraw/zinc/24/45/80/921244580.db2.gz BPGQQEIFCGRZDQ-SFHVURJKSA-N 2 1 383.646 3.563 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC001173628593 906578951 /nfs/dbraw/zinc/57/89/51/906578951.db2.gz SPNCAJOSWIKTRN-UKRMFGEPSA-N 2 1 396.575 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC001173628593 906578967 /nfs/dbraw/zinc/57/89/67/906578967.db2.gz SPNCAJOSWIKTRN-UKRMFGEPSA-N 2 1 396.575 3.952 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)CC2 ZINC001173628593 906578968 /nfs/dbraw/zinc/57/89/68/906578968.db2.gz SPNCAJOSWIKTRN-UKRMFGEPSA-N 2 1 396.575 3.952 20 0 GHADMP COc1cccc(C[N@H+](C2CCN(CC(F)(F)F)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001173667470 906605335 /nfs/dbraw/zinc/60/53/35/906605335.db2.gz XWRNBWKEKSNXCK-IYARVYRRSA-N 2 1 399.501 3.794 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001173708458 906657738 /nfs/dbraw/zinc/65/77/38/906657738.db2.gz HZOJJYSGDQDIKE-KNQAVFIVSA-N 2 1 380.532 3.906 20 0 GHADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000180986685 906889970 /nfs/dbraw/zinc/88/99/70/906889970.db2.gz PPCMVJMTZIFUFX-KRWDZBQOSA-N 2 1 396.503 3.982 20 0 GHADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000180986685 906889985 /nfs/dbraw/zinc/88/99/85/906889985.db2.gz PPCMVJMTZIFUFX-KRWDZBQOSA-N 2 1 396.503 3.982 20 0 GHADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182273876 907175650 /nfs/dbraw/zinc/17/56/50/907175650.db2.gz ZVZAHLQEYBRNTE-UUOWRZLLSA-N 2 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182273876 907175656 /nfs/dbraw/zinc/17/56/56/907175656.db2.gz ZVZAHLQEYBRNTE-UUOWRZLLSA-N 3 1 390.531 3.598 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182273876 907175664 /nfs/dbraw/zinc/17/56/64/907175664.db2.gz ZVZAHLQEYBRNTE-UUOWRZLLSA-N 3 1 390.531 3.598 20 0 GHADMP C[NH+]1CCN(c2ccc(Nc3ccc(N4CC[NH+](C)CC4)c(Cl)c3)cc2)CC1 ZINC001174814694 907212586 /nfs/dbraw/zinc/21/25/86/907212586.db2.gz KHMPLDXZPYRKSS-UHFFFAOYSA-N 2 1 399.970 3.587 20 0 GHADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCC[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000182556596 907228753 /nfs/dbraw/zinc/22/87/53/907228753.db2.gz ITGQQGVZFQVTRV-IRXDYDNUSA-N 2 1 396.535 3.995 20 0 GHADMP CCCC[N@@H+](C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174984462 907334571 /nfs/dbraw/zinc/33/45/71/907334571.db2.gz PIXIIGZFZXPIQY-GOSISDBHSA-N 2 1 399.620 3.626 20 0 GHADMP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC001175060982 907337420 /nfs/dbraw/zinc/33/74/20/907337420.db2.gz DNOOQRSVEOXYSM-SFHVURJKSA-N 2 1 383.536 3.996 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001175361025 907518369 /nfs/dbraw/zinc/51/83/69/907518369.db2.gz FCSCODPNZZIYFZ-FPOVZHCZSA-N 2 1 377.573 3.726 20 0 GHADMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC001175361025 907518382 /nfs/dbraw/zinc/51/83/82/907518382.db2.gz FCSCODPNZZIYFZ-FPOVZHCZSA-N 2 1 377.573 3.726 20 0 GHADMP C[N@H+](Cc1ccccc1)C[C@H](CN1CCc2[nH+]ccc(N)c2C1)c1ccccc1 ZINC001175523059 907601649 /nfs/dbraw/zinc/60/16/49/907601649.db2.gz OKJIBHNVAHTUMK-JOCHJYFZSA-N 2 1 386.543 3.938 20 0 GHADMP OC1(c2cccnc2)CCC([NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000186351277 907911653 /nfs/dbraw/zinc/91/16/53/907911653.db2.gz YLGYMIRPMFTOJT-QCVQKGSRSA-N 2 1 391.559 3.712 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ncc(Br)cc1F ZINC000187021601 908020929 /nfs/dbraw/zinc/02/09/29/908020929.db2.gz MKFLJEKUWGCPAI-CYBMUJFWSA-N 2 1 396.304 3.774 20 0 GHADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCCS2 ZINC000188037385 908169382 /nfs/dbraw/zinc/16/93/82/908169382.db2.gz ATKVGKLTGKNZHH-JXFKEZNVSA-N 2 1 376.566 3.713 20 0 GHADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001177483109 908593634 /nfs/dbraw/zinc/59/36/34/908593634.db2.gz CVSYDNRLQBPTBE-HUUCEWRRSA-N 2 1 377.520 3.635 20 0 GHADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001177483109 908593643 /nfs/dbraw/zinc/59/36/43/908593643.db2.gz CVSYDNRLQBPTBE-HUUCEWRRSA-N 2 1 377.520 3.635 20 0 GHADMP Brc1cccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C2CCOCC2)c1 ZINC000191494362 908632786 /nfs/dbraw/zinc/63/27/86/908632786.db2.gz LUQFFWWJWPDYIN-QRWLVFNGSA-N 2 1 393.369 3.991 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3ccsc3)s2)C1 ZINC001178463448 909066129 /nfs/dbraw/zinc/06/61/29/909066129.db2.gz QETIXLBZFZYDHE-SFHVURJKSA-N 2 1 385.558 3.728 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1Cc1ccccc1 ZINC000266795095 909304332 /nfs/dbraw/zinc/30/43/32/909304332.db2.gz MPRSXNDEAUHPKC-YGDZHLNZSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000266795095 909304346 /nfs/dbraw/zinc/30/43/46/909304346.db2.gz MPRSXNDEAUHPKC-YGDZHLNZSA-N 2 1 398.595 3.696 20 0 GHADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1Cc1ccccc1 ZINC000266795095 909304359 /nfs/dbraw/zinc/30/43/59/909304359.db2.gz MPRSXNDEAUHPKC-YGDZHLNZSA-N 2 1 398.595 3.696 20 0 GHADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000637372846 909796572 /nfs/dbraw/zinc/79/65/72/909796572.db2.gz IWBJSSUPDUGORW-CWFSZBLJSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000637372846 909796579 /nfs/dbraw/zinc/79/65/79/909796579.db2.gz IWBJSSUPDUGORW-CWFSZBLJSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000637372846 909796585 /nfs/dbraw/zinc/79/65/85/909796585.db2.gz IWBJSSUPDUGORW-CWFSZBLJSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000637372846 909796596 /nfs/dbraw/zinc/79/65/96/909796596.db2.gz IWBJSSUPDUGORW-CWFSZBLJSA-N 2 1 396.526 3.517 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000245717613 909855999 /nfs/dbraw/zinc/85/59/99/909855999.db2.gz GYFQYDCREZVXBH-IERDGZPVSA-N 2 1 390.549 3.912 20 0 GHADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000245717613 909856003 /nfs/dbraw/zinc/85/60/03/909856003.db2.gz GYFQYDCREZVXBH-IERDGZPVSA-N 2 1 390.549 3.912 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000268753938 909998841 /nfs/dbraw/zinc/99/88/41/909998841.db2.gz WOTZPMJCNXTDET-LJQANCHMSA-N 2 1 376.504 3.555 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000268813758 910029018 /nfs/dbraw/zinc/02/90/18/910029018.db2.gz DZLBLHHTZPCICY-PZJWPPBQSA-N 2 1 381.568 3.580 20 0 GHADMP C[C@H]1C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC000268813758 910029031 /nfs/dbraw/zinc/02/90/31/910029031.db2.gz DZLBLHHTZPCICY-PZJWPPBQSA-N 2 1 381.568 3.580 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268832565 910038401 /nfs/dbraw/zinc/03/84/01/910038401.db2.gz RGRHIQUKYSHYIT-YKSBVNFPSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000268832565 910038419 /nfs/dbraw/zinc/03/84/19/910038419.db2.gz RGRHIQUKYSHYIT-YKSBVNFPSA-N 2 1 391.559 3.952 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000246011378 910046139 /nfs/dbraw/zinc/04/61/39/910046139.db2.gz LAGSAOVWQWBRAA-KNQAVFIVSA-N 2 1 385.552 3.988 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1F ZINC000638403211 910148099 /nfs/dbraw/zinc/14/80/99/910148099.db2.gz INEHQRBRCHHLHZ-XMSQKQJNSA-N 2 1 381.495 3.513 20 0 GHADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1F ZINC000638403211 910148109 /nfs/dbraw/zinc/14/81/09/910148109.db2.gz INEHQRBRCHHLHZ-XMSQKQJNSA-N 2 1 381.495 3.513 20 0 GHADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nc4ccccc4nc3C)CC2)cs1 ZINC000638624442 910204160 /nfs/dbraw/zinc/20/41/60/910204160.db2.gz ZVYISRBVSPLFAN-UHFFFAOYSA-N 2 1 395.576 3.959 20 0 GHADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(-n3ccnc3)cc2)C1 ZINC000246285196 910215978 /nfs/dbraw/zinc/21/59/78/910215978.db2.gz CQNCEQXNMVGGJU-TZIWHRDSSA-N 2 1 395.551 3.668 20 0 GHADMP CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CC34CCC[NH+]3CCC4)CC2)cc1 ZINC001181109096 910540190 /nfs/dbraw/zinc/54/01/90/910540190.db2.gz PLJKFFSHFWMSQR-UHFFFAOYSA-N 2 1 383.580 3.647 20 0 GHADMP O[C@H]1CC[NH+](CC(C[N@@H+]2CC[C@H](O)CC23CCC3)c2ccccc2)C2(CCC2)C1 ZINC000639687840 910613587 /nfs/dbraw/zinc/61/35/87/910613587.db2.gz RICXELFKIBXHJI-GOTSBHOMSA-N 2 1 398.591 3.529 20 0 GHADMP Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639756946 910649541 /nfs/dbraw/zinc/64/95/41/910649541.db2.gz DYFKDYTVKJDRFT-UHFFFAOYSA-N 2 1 398.576 3.550 20 0 GHADMP Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639756946 910649545 /nfs/dbraw/zinc/64/95/45/910649545.db2.gz DYFKDYTVKJDRFT-UHFFFAOYSA-N 2 1 398.576 3.550 20 0 GHADMP c1n[nH]cc1[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639778939 910659790 /nfs/dbraw/zinc/65/97/90/910659790.db2.gz VWNRVQNCGWSNIR-SZPZYZBQSA-N 2 1 376.508 3.807 20 0 GHADMP c1n[nH]cc1[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639778939 910659798 /nfs/dbraw/zinc/65/97/98/910659798.db2.gz VWNRVQNCGWSNIR-SZPZYZBQSA-N 2 1 376.508 3.807 20 0 GHADMP c1n[nH]cc1[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639778939 910659808 /nfs/dbraw/zinc/65/98/08/910659808.db2.gz VWNRVQNCGWSNIR-SZPZYZBQSA-N 2 1 376.508 3.807 20 0 GHADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000640561439 911064471 /nfs/dbraw/zinc/06/44/71/911064471.db2.gz HGWZXOCIABHXNJ-GHTZIAJQSA-N 2 1 395.551 3.660 20 0 GHADMP CC[N@H+](CCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1)CC(C)C ZINC000640613707 911085453 /nfs/dbraw/zinc/08/54/53/911085453.db2.gz ZJRYBBBKUCDMAF-UHFFFAOYSA-N 2 1 389.588 3.755 20 0 GHADMP CC[N@@H+](CCC1CCN(C(=O)Nc2ccnc(C[NH+](C)C)c2)CC1)CC(C)C ZINC000640613707 911085471 /nfs/dbraw/zinc/08/54/71/911085471.db2.gz ZJRYBBBKUCDMAF-UHFFFAOYSA-N 2 1 389.588 3.755 20 0 GHADMP C[NH+]1CCC(C)(C(=O)Nc2cccc3c2C[N@@H+](C)C[C@H]3c2ccccc2)CC1 ZINC001181988279 911111835 /nfs/dbraw/zinc/11/18/35/911111835.db2.gz YCWREQIEFDPVMI-FQEVSTJZSA-N 2 1 377.532 3.934 20 0 GHADMP c1c(C[NH2+]Cc2ccccc2)nnn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000641179860 911350170 /nfs/dbraw/zinc/35/01/70/911350170.db2.gz UFBDRXUHPUMGGF-UHFFFAOYSA-N 2 1 375.520 3.602 20 0 GHADMP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)Cc2ccccc2)C1 ZINC001182241010 911365931 /nfs/dbraw/zinc/36/59/31/911365931.db2.gz NYLUTFHONORIOH-GOTSBHOMSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)Cc2ccccc2)C1 ZINC001182241010 911365950 /nfs/dbraw/zinc/36/59/50/911365950.db2.gz NYLUTFHONORIOH-GOTSBHOMSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)Cc2ccccc2)C1 ZINC001182241010 911365969 /nfs/dbraw/zinc/36/59/69/911365969.db2.gz NYLUTFHONORIOH-GOTSBHOMSA-N 2 1 379.548 3.801 20 0 GHADMP CC(C)[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)Cc2ccccc2)C1 ZINC001182241010 911365989 /nfs/dbraw/zinc/36/59/89/911365989.db2.gz NYLUTFHONORIOH-GOTSBHOMSA-N 2 1 379.548 3.801 20 0 GHADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000801952875 921673769 /nfs/dbraw/zinc/67/37/69/921673769.db2.gz GVYRVXAEKIAQCH-LJQANCHMSA-N 2 1 379.589 3.831 20 0 GHADMP CC[NH+](CC)CCNC(=O)C[C@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186935907 914882616 /nfs/dbraw/zinc/88/26/16/914882616.db2.gz QYGHOCNWGVWJQN-REWPJTCUSA-N 2 1 393.575 3.944 20 0 GHADMP CC[NH+](CC)CCNC(=O)C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186935903 914882870 /nfs/dbraw/zinc/88/28/70/914882870.db2.gz QYGHOCNWGVWJQN-NZQKXSOJSA-N 2 1 393.575 3.944 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000291008968 914913071 /nfs/dbraw/zinc/91/30/71/914913071.db2.gz RPJXNSMLALFURC-JOCHJYFZSA-N 2 1 397.567 3.525 20 0 GHADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000291008968 914913078 /nfs/dbraw/zinc/91/30/78/914913078.db2.gz RPJXNSMLALFURC-JOCHJYFZSA-N 2 1 397.567 3.525 20 0 GHADMP CC(C)[NH+]1CC(NC(=O)C[C@@H]2C[N@H+](C(c3ccccc3)c3ccccc3)[C@@H]2C)C1 ZINC001186949907 914913454 /nfs/dbraw/zinc/91/34/54/914913454.db2.gz VMMQIEKUDJDJSJ-DENIHFKCSA-N 2 1 391.559 3.695 20 0 GHADMP CC(C)[NH+]1CC(NC(=O)C[C@@H]2C[N@@H+](C(c3ccccc3)c3ccccc3)[C@@H]2C)C1 ZINC001186949907 914913461 /nfs/dbraw/zinc/91/34/61/914913461.db2.gz VMMQIEKUDJDJSJ-DENIHFKCSA-N 2 1 391.559 3.695 20 0 GHADMP Cc1ccc(N2CCC(C(=O)N[C@@H](C[NH3+])c3ccc4ccccc4c3)CC2)[nH+]c1 ZINC000647015202 914986276 /nfs/dbraw/zinc/98/62/76/914986276.db2.gz JSONAKVLPVYNQW-QFIPXVFZSA-N 2 1 388.515 3.576 20 0 GHADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1csc(-c2ccccc2F)n1 ZINC000291248170 915060789 /nfs/dbraw/zinc/06/07/89/915060789.db2.gz PDZDHTZFHZFPAH-OAHLLOKOSA-N 2 1 376.545 3.626 20 0 GHADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001187293793 915153891 /nfs/dbraw/zinc/15/38/91/915153891.db2.gz SFOUWMNEVPGKOR-ZEQRLZLVSA-N 2 1 391.559 3.732 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000647343715 915164087 /nfs/dbraw/zinc/16/40/87/915164087.db2.gz AQVUFEXMQLBJBX-CKUXNOBLSA-N 3 1 381.564 3.623 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000647343715 915164096 /nfs/dbraw/zinc/16/40/96/915164096.db2.gz AQVUFEXMQLBJBX-CKUXNOBLSA-N 2 1 381.564 3.623 20 0 GHADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CC3 ZINC000647343705 915164740 /nfs/dbraw/zinc/16/47/40/915164740.db2.gz AMLDFKBPBGQPJX-MSYCTHLASA-N 2 1 389.543 3.969 20 0 GHADMP C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344439 915167117 /nfs/dbraw/zinc/16/71/17/915167117.db2.gz QMYAYXMZRLURID-HVHOJJEHSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H](NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647344439 915167124 /nfs/dbraw/zinc/16/71/24/915167124.db2.gz QMYAYXMZRLURID-HVHOJJEHSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H](NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647344439 915167129 /nfs/dbraw/zinc/16/71/29/915167129.db2.gz QMYAYXMZRLURID-HVHOJJEHSA-N 2 1 377.576 3.832 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344439 915167131 /nfs/dbraw/zinc/16/71/31/915167131.db2.gz QMYAYXMZRLURID-HVHOJJEHSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647344439 915167139 /nfs/dbraw/zinc/16/71/39/915167139.db2.gz QMYAYXMZRLURID-HVHOJJEHSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647344439 915167145 /nfs/dbraw/zinc/16/71/45/915167145.db2.gz QMYAYXMZRLURID-HVHOJJEHSA-N 3 1 377.576 3.832 20 0 GHADMP C[C@@H]([NH2+]C[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647344439 915167149 /nfs/dbraw/zinc/16/71/49/915167149.db2.gz QMYAYXMZRLURID-HVHOJJEHSA-N 3 1 377.576 3.832 20 0 GHADMP c1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000647479766 915290865 /nfs/dbraw/zinc/29/08/65/915290865.db2.gz TXIMZTVWNNVLSE-NZQKXSOJSA-N 2 1 387.531 3.898 20 0 GHADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000647479766 915290879 /nfs/dbraw/zinc/29/08/79/915290879.db2.gz TXIMZTVWNNVLSE-NZQKXSOJSA-N 2 1 387.531 3.898 20 0 GHADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000647977072 915459412 /nfs/dbraw/zinc/45/94/12/915459412.db2.gz XREBUSXSCLOXRU-JTAQYXEDSA-N 2 1 397.588 3.665 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000648788453 915880114 /nfs/dbraw/zinc/88/01/14/915880114.db2.gz GYNVFYGTJBSXJJ-YCEFEEMOSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000648788453 915880128 /nfs/dbraw/zinc/88/01/28/915880128.db2.gz GYNVFYGTJBSXJJ-YCEFEEMOSA-N 2 1 397.485 3.545 20 0 GHADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC[NH+]1C ZINC000648788453 915880145 /nfs/dbraw/zinc/88/01/45/915880145.db2.gz GYNVFYGTJBSXJJ-YCEFEEMOSA-N 2 1 397.485 3.545 20 0 GHADMP CCc1nccn1[C@H](C)CC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648804248 915886315 /nfs/dbraw/zinc/88/63/15/915886315.db2.gz AFQBXALIOZKCEI-TZIWHRDSSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000648804248 915886336 /nfs/dbraw/zinc/88/63/36/915886336.db2.gz AFQBXALIOZKCEI-TZIWHRDSSA-N 2 1 382.552 3.767 20 0 GHADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000648804248 915886346 /nfs/dbraw/zinc/88/63/46/915886346.db2.gz AFQBXALIOZKCEI-TZIWHRDSSA-N 2 1 382.552 3.767 20 0 GHADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1)C[C@H]1CCCCO1 ZINC000648852121 915909931 /nfs/dbraw/zinc/90/99/31/915909931.db2.gz OTQYEFOYBNQFAS-STZQEDGTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1)C[C@H]1CCCCO1 ZINC000648852121 915909944 /nfs/dbraw/zinc/90/99/44/915909944.db2.gz OTQYEFOYBNQFAS-STZQEDGTSA-N 2 1 387.568 3.745 20 0 GHADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1)C[C@H]1CCCCO1 ZINC000648852121 915909947 /nfs/dbraw/zinc/90/99/47/915909947.db2.gz OTQYEFOYBNQFAS-STZQEDGTSA-N 2 1 387.568 3.745 20 0 GHADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000648885754 915923196 /nfs/dbraw/zinc/92/31/96/915923196.db2.gz PHMZZCCIKSBTFI-SFHVURJKSA-N 2 1 397.567 3.813 20 0 GHADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)[C@H]1c1cccs1 ZINC000649341192 916105434 /nfs/dbraw/zinc/10/54/34/916105434.db2.gz SZTGOFFQARXSRV-JLSDUUJJSA-N 2 1 377.941 3.601 20 0 GHADMP COC[C@@H]1CCCC[N@@H+](Cc2cncc(C[NH+]3CCCC[C@H](COC)C3)c2)C1 ZINC000649449569 916172943 /nfs/dbraw/zinc/17/29/43/916172943.db2.gz CWBMVVPSFYBYBA-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP COC[C@@H]1CCCC[NH+](Cc2cncc(C[N@@H+]3CCCC[C@H](COC)C3)c2)C1 ZINC000649449569 916172948 /nfs/dbraw/zinc/17/29/48/916172948.db2.gz CWBMVVPSFYBYBA-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP COC[C@@H]1CCCC[NH+](Cc2cncc(C[N@H+]3CCCC[C@H](COC)C3)c2)C1 ZINC000649449569 916172958 /nfs/dbraw/zinc/17/29/58/916172958.db2.gz CWBMVVPSFYBYBA-OYRHEFFESA-N 2 1 389.584 3.579 20 0 GHADMP CCn1ccc(C[NH+](C)Cc2cncc(C[N@@H+](C)Cc3ccn(CC)c3)c2)c1 ZINC000649479886 916182949 /nfs/dbraw/zinc/18/29/49/916182949.db2.gz DHJDTHCEFDCAAK-UHFFFAOYSA-N 2 1 379.552 3.988 20 0 GHADMP CCn1ccc(C[NH+](C)Cc2cncc(C[N@H+](C)Cc3ccn(CC)c3)c2)c1 ZINC000649479886 916182956 /nfs/dbraw/zinc/18/29/56/916182956.db2.gz DHJDTHCEFDCAAK-UHFFFAOYSA-N 2 1 379.552 3.988 20 0 GHADMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3Cl)CC2)C1=O ZINC001275727168 916443600 /nfs/dbraw/zinc/44/36/00/916443600.db2.gz FGNRMKRIDDOMNK-HXUWFJFHSA-N 2 1 398.378 3.760 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000362032994 917045172 /nfs/dbraw/zinc/04/51/72/917045172.db2.gz RHJJKEMWDVNERV-YSZBQJHXSA-N 2 1 377.532 3.985 20 0 GHADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c2ccccc21 ZINC000362032994 917045180 /nfs/dbraw/zinc/04/51/80/917045180.db2.gz RHJJKEMWDVNERV-YSZBQJHXSA-N 2 1 377.532 3.985 20 0 GHADMP CN(c1ccccc1)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650724858 917252092 /nfs/dbraw/zinc/25/20/92/917252092.db2.gz NOXKPHLRHDJEJL-FCEUIQTBSA-N 2 1 380.536 3.710 20 0 GHADMP O[C@]1(C[NH+]2CCC(Cc3cccc(F)c3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001190373449 917307313 /nfs/dbraw/zinc/30/73/13/917307313.db2.gz AHVUVVFGXQWEEZ-DEOSSOPVSA-N 2 1 382.523 3.717 20 0 GHADMP O[C@]1(C[NH+]2CCC(Cc3cccc(F)c3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001190373449 917307329 /nfs/dbraw/zinc/30/73/29/917307329.db2.gz AHVUVVFGXQWEEZ-DEOSSOPVSA-N 2 1 382.523 3.717 20 0 GHADMP Cc1ccc(C[C@@H]2CCC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC001190682367 917511125 /nfs/dbraw/zinc/51/11/25/917511125.db2.gz HCRSRKSEUOQMQS-LADGPHEKSA-N 2 1 393.575 3.669 20 0 GHADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc3ccccc32)C1 ZINC000652361550 917882952 /nfs/dbraw/zinc/88/29/52/917882952.db2.gz JWPZUJRCMXTFOU-BVYCBKJFSA-N 2 1 381.520 3.529 20 0 GHADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000652363163 917883486 /nfs/dbraw/zinc/88/34/86/917883486.db2.gz ZLKIEXJHASGPLK-QRQLOZEOSA-N 2 1 386.458 3.835 20 0 GHADMP CCOC(=O)c1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001191551535 918068018 /nfs/dbraw/zinc/06/80/18/918068018.db2.gz QVALPUZPWLGQAY-INIZCTEOSA-N 2 1 379.570 3.796 20 0 GHADMP CCOC(=O)c1ncc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)s1 ZINC001191551535 918068035 /nfs/dbraw/zinc/06/80/35/918068035.db2.gz QVALPUZPWLGQAY-INIZCTEOSA-N 2 1 379.570 3.796 20 0 GHADMP C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775509696 918490976 /nfs/dbraw/zinc/49/09/76/918490976.db2.gz PKOIMINMJOOLAZ-DZFGPLHGSA-N 2 1 387.568 3.790 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654600022 919242955 /nfs/dbraw/zinc/24/29/55/919242955.db2.gz CWUCVBQYKHIDCM-XMMPIXPASA-N 2 1 391.559 3.537 20 0 GHADMP FC(F)(F)c1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)c1 ZINC000298261645 920352604 /nfs/dbraw/zinc/35/26/04/920352604.db2.gz FPSMMCLTRYGMGX-UHFFFAOYSA-N 2 1 382.470 3.970 20 0 GHADMP COc1cccc(-c2cc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)on2)c1 ZINC000902452854 922205556 /nfs/dbraw/zinc/20/55/56/922205556.db2.gz MSEAGIAOQASRBQ-GMAHTHKFSA-N 2 1 391.471 3.696 20 0 GHADMP CN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2F)c2ccc(F)cc2F)CC1 ZINC000903066123 922741558 /nfs/dbraw/zinc/74/15/58/922741558.db2.gz KPMWMRPWKMINHL-JOCHJYFZSA-N 2 1 391.481 3.811 20 0 GHADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3F)C3CCOCC3)cc2)C1 ZINC000903199835 922848025 /nfs/dbraw/zinc/84/80/25/922848025.db2.gz NHQPRYVRIJZIDA-URXFXBBRSA-N 2 1 398.522 3.650 20 0 GHADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(Cl)c3Br)CC2)C1 ZINC000903459088 923038545 /nfs/dbraw/zinc/03/85/45/923038545.db2.gz ATQJXZISDZBPRX-ZBFHGGJFSA-N 2 1 387.749 3.821 20 0 GHADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903740157 923242664 /nfs/dbraw/zinc/24/26/64/923242664.db2.gz SIKKHOQOGDQNFJ-VQTJNVASSA-N 2 1 396.579 3.955 20 0 GHADMP COc1ccc(F)cc1-c1cncc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000903762640 923266827 /nfs/dbraw/zinc/26/68/27/923266827.db2.gz BTCLTOUNUYGMFE-WGGBDISSSA-N 2 1 399.510 3.615 20 0 GHADMP CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCCC[NH2+]C2)n1 ZINC000903788165 923293930 /nfs/dbraw/zinc/29/39/30/923293930.db2.gz DFEUNVCGDGKDAJ-DIXTZKEJSA-N 2 1 391.625 3.731 20 0 GHADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c2cccs2)CC1 ZINC000677244697 924297326 /nfs/dbraw/zinc/29/73/26/924297326.db2.gz SKXIIGRLLVVFHU-INIZCTEOSA-N 2 1 399.482 3.567 20 0 GHADMP c1ncn(-c2ccccc2C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000678295067 924712126 /nfs/dbraw/zinc/71/21/26/924712126.db2.gz LDJWWWZOIPJWMP-UHFFFAOYSA-N 2 1 387.531 3.755 20 0 GHADMP Cc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(Br)c1 ZINC000678296237 924712667 /nfs/dbraw/zinc/71/26/67/924712667.db2.gz XUVBOZSSMSGIOU-UHFFFAOYSA-N 2 1 394.401 3.748 20 0 GHADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000678809168 924932924 /nfs/dbraw/zinc/93/29/24/924932924.db2.gz YZSGLSWIXYYWDP-FQEVSTJZSA-N 2 1 390.524 3.674 20 0 GHADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)c1 ZINC000678809168 924932926 /nfs/dbraw/zinc/93/29/26/924932926.db2.gz YZSGLSWIXYYWDP-FQEVSTJZSA-N 2 1 390.524 3.674 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000679836039 925280235 /nfs/dbraw/zinc/28/02/35/925280235.db2.gz VJXZFXXLKGVCCY-DVECYGJZSA-N 2 1 383.580 3.588 20 0 GHADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)cc1 ZINC000543813646 925830438 /nfs/dbraw/zinc/83/04/38/925830438.db2.gz HDUPOHKKDWCQLM-AVRDEDQJSA-N 2 1 379.504 3.888 20 0 GHADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000681548059 925849831 /nfs/dbraw/zinc/84/98/31/925849831.db2.gz UEGSILOHTPCEKQ-UHFFFAOYSA-N 2 1 377.311 3.638 20 0 GHADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000411555306 926506791 /nfs/dbraw/zinc/50/67/91/926506791.db2.gz VTMNFWJURMHVCF-UTKZUKDTSA-N 2 1 383.511 3.963 20 0 GHADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411801891 926786954 /nfs/dbraw/zinc/78/69/54/926786954.db2.gz ZYBNZBPTVHNYMQ-FGTMMUONSA-N 2 1 375.582 3.744 20 0 GHADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)cc1F ZINC000374201908 926893523 /nfs/dbraw/zinc/89/35/23/926893523.db2.gz MWXGXVCIRYXRQW-UHFFFAOYSA-N 2 1 395.950 3.747 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c(-c2ccccc2)nc2sccn12 ZINC000749543439 927179868 /nfs/dbraw/zinc/17/98/68/927179868.db2.gz BRIFOARLAOYXJA-GGPKGHCWSA-N 2 1 396.560 3.746 20 0 GHADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(-c2ccccc2)nc2sccn12 ZINC000749543439 927179871 /nfs/dbraw/zinc/17/98/71/927179871.db2.gz BRIFOARLAOYXJA-GGPKGHCWSA-N 2 1 396.560 3.746 20 0 GHADMP CCN1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000374846830 927596055 /nfs/dbraw/zinc/59/60/55/927596055.db2.gz SAVGTAAYSYTERN-QUCCMNQESA-N 2 1 380.458 3.814 20 0 GHADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000543872350 928519008 /nfs/dbraw/zinc/51/90/08/928519008.db2.gz RHOHTQCPQJJJOX-SFHVURJKSA-N 2 1 375.557 3.856 20 0 GHADMP C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000757772789 929795290 /nfs/dbraw/zinc/79/52/90/929795290.db2.gz KXPYGSGZHMYNLE-CVDCTZTESA-N 2 1 394.563 3.553 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)C2)cc1 ZINC000546057293 929813210 /nfs/dbraw/zinc/81/32/10/929813210.db2.gz XUIZVMVVOGAIMV-XMMPIXPASA-N 2 1 391.563 3.959 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cc[nH+]c(N5CCCCC5)n4)C3)C2)cc1 ZINC000546057293 929813213 /nfs/dbraw/zinc/81/32/13/929813213.db2.gz XUIZVMVVOGAIMV-XMMPIXPASA-N 2 1 391.563 3.959 20 0 GHADMP CN(C)Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1Br ZINC000469484713 929930142 /nfs/dbraw/zinc/93/01/42/929930142.db2.gz XKZCLOTVDKUTSA-SFHVURJKSA-N 2 1 390.325 3.752 20 0 GHADMP C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000469757719 930139708 /nfs/dbraw/zinc/13/97/08/930139708.db2.gz NPCOIZSNVVNMQR-LFALDJFMSA-N 2 1 397.538 3.749 20 0 GHADMP C[C@@H](NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(F)cc1 ZINC000469757719 930139709 /nfs/dbraw/zinc/13/97/09/930139709.db2.gz NPCOIZSNVVNMQR-LFALDJFMSA-N 2 1 397.538 3.749 20 0 GHADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc2c(c1)CCC2 ZINC000469759609 930142504 /nfs/dbraw/zinc/14/25/04/930142504.db2.gz AXANLAXGEYERAQ-RTBURBONSA-N 2 1 391.559 3.860 20 0 GHADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000546737411 930391530 /nfs/dbraw/zinc/39/15/30/930391530.db2.gz VECBLXAPWWGWLL-LJQANCHMSA-N 2 1 397.485 3.863 20 0 GHADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000470276360 930504313 /nfs/dbraw/zinc/50/43/13/930504313.db2.gz GAKQFKLWXSNAGX-DENIHFKCSA-N 2 1 388.600 3.515 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000546887721 930511171 /nfs/dbraw/zinc/51/11/71/930511171.db2.gz GECNUSPCHOMLBD-VGOFRKELSA-N 2 1 399.966 3.901 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000781337790 930801692 /nfs/dbraw/zinc/80/16/92/930801692.db2.gz LMBUJGZUSDJZPI-QAPCUYQASA-N 2 1 387.515 3.756 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cccc(SC(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000781337790 930801705 /nfs/dbraw/zinc/80/17/05/930801705.db2.gz LMBUJGZUSDJZPI-QAPCUYQASA-N 2 1 387.515 3.756 20 0 GHADMP CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000781421819 930837324 /nfs/dbraw/zinc/83/73/24/930837324.db2.gz LQKFYWRFXVSZTR-BHIFYINESA-N 2 1 399.579 3.744 20 0 GHADMP C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504535 931078807 /nfs/dbraw/zinc/07/88/07/931078807.db2.gz NDAVYEDXCZJKKM-OFNKIYASSA-N 2 1 381.564 3.627 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000547504535 931078819 /nfs/dbraw/zinc/07/88/19/931078819.db2.gz NDAVYEDXCZJKKM-OFNKIYASSA-N 3 1 381.564 3.627 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547504535 931078831 /nfs/dbraw/zinc/07/88/31/931078831.db2.gz NDAVYEDXCZJKKM-OFNKIYASSA-N 3 1 381.564 3.627 20 0 GHADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)CC1 ZINC000782182015 931110887 /nfs/dbraw/zinc/11/08/87/931110887.db2.gz NALXMUNPWJCXGY-OAQYLSRUSA-N 2 1 389.971 3.594 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000782182330 931110967 /nfs/dbraw/zinc/11/09/67/931110967.db2.gz GPZYLEBRNLGZOJ-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000782182330 931110970 /nfs/dbraw/zinc/11/09/70/931110970.db2.gz GPZYLEBRNLGZOJ-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000782182330 931110974 /nfs/dbraw/zinc/11/09/74/931110974.db2.gz GPZYLEBRNLGZOJ-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000782182330 931110976 /nfs/dbraw/zinc/11/09/76/931110976.db2.gz GPZYLEBRNLGZOJ-AZUAARDMSA-N 2 1 375.557 3.886 20 0 GHADMP CC(C)(C)OC(=O)N1CCC[C@@H]2[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C(C)(C)[C@@H]21 ZINC000693678500 931201289 /nfs/dbraw/zinc/20/12/89/931201289.db2.gz MYPJOPQRHGZZHR-GUDVDZBRSA-N 2 1 377.573 3.627 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000557259017 931305125 /nfs/dbraw/zinc/30/51/25/931305125.db2.gz HTLVQNCAWCKYJO-GHTZIAJQSA-N 2 1 381.520 3.667 20 0 GHADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000557259017 931305130 /nfs/dbraw/zinc/30/51/30/931305130.db2.gz HTLVQNCAWCKYJO-GHTZIAJQSA-N 2 1 381.520 3.667 20 0 GHADMP C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc(C[NH+](C)C)c1 ZINC000924586660 931431951 /nfs/dbraw/zinc/43/19/51/931431951.db2.gz HRZDNGXMSJWMGH-ZDUSSCGKSA-N 2 1 377.414 3.661 20 0 GHADMP C[C@H]([NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1cnn(C)n1 ZINC000924637025 931458457 /nfs/dbraw/zinc/45/84/57/931458457.db2.gz YPNZPGYIUGPJDZ-SFHVURJKSA-N 2 1 375.520 3.929 20 0 GHADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OCC(F)(F)F ZINC000557521881 931517120 /nfs/dbraw/zinc/51/71/20/931517120.db2.gz REPUXSQKQOODOT-QGZVFWFLSA-N 2 1 386.458 3.800 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccnn1CC1CCC1 ZINC000924776353 931533436 /nfs/dbraw/zinc/53/34/36/931533436.db2.gz LUQXZCGJVVAOEU-MOPGFXCFSA-N 2 1 382.552 3.755 20 0 GHADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccnn1CC1CCC1 ZINC000924776353 931533443 /nfs/dbraw/zinc/53/34/43/931533443.db2.gz LUQXZCGJVVAOEU-MOPGFXCFSA-N 2 1 382.552 3.755 20 0 GHADMP COc1ccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000557575552 931554011 /nfs/dbraw/zinc/55/40/11/931554011.db2.gz BEHXFDGJSNQIHT-QFIPXVFZSA-N 2 1 387.568 3.603 20 0 GHADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000924960585 931595021 /nfs/dbraw/zinc/59/50/21/931595021.db2.gz TUTJHAGEROIBRK-DEOSSOPVSA-N 2 1 392.547 3.780 20 0 GHADMP Clc1ccc(-c2cnc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)o2)cc1 ZINC000558718655 932190674 /nfs/dbraw/zinc/19/06/74/932190674.db2.gz OOYOEVKGRSTPCJ-UHFFFAOYSA-N 2 1 389.927 3.929 20 0 GHADMP COC(=O)COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000559081397 932420561 /nfs/dbraw/zinc/42/05/61/932420561.db2.gz WNUNYHMQNSDNAU-QFIPXVFZSA-N 2 1 396.531 3.629 20 0 GHADMP CN(CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000797966052 932474249 /nfs/dbraw/zinc/47/42/49/932474249.db2.gz FZYUCKKLBKJHRF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000797966052 932474251 /nfs/dbraw/zinc/47/42/51/932474251.db2.gz FZYUCKKLBKJHRF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP CN(CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000797966052 932474254 /nfs/dbraw/zinc/47/42/54/932474254.db2.gz FZYUCKKLBKJHRF-FQEVSTJZSA-N 2 1 375.557 3.697 20 0 GHADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC000559243474 932545065 /nfs/dbraw/zinc/54/50/65/932545065.db2.gz IYJRLKXBKTUIPS-SFHVURJKSA-N 2 1 379.976 3.778 20 0 GHADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311454 932592298 /nfs/dbraw/zinc/59/22/98/932592298.db2.gz LHDOTYCKESNCBH-DVECYGJZSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311454 932592301 /nfs/dbraw/zinc/59/23/01/932592301.db2.gz LHDOTYCKESNCBH-DVECYGJZSA-N 2 1 377.532 3.573 20 0 GHADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000559311454 932592307 /nfs/dbraw/zinc/59/23/07/932592307.db2.gz LHDOTYCKESNCBH-DVECYGJZSA-N 2 1 377.532 3.573 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000798429954 932643948 /nfs/dbraw/zinc/64/39/48/932643948.db2.gz UEJZCBAMRSSWLO-QHCPKHFHSA-N 2 1 388.600 3.707 20 0 GHADMP C[N@@H+](CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC000798946328 932830959 /nfs/dbraw/zinc/83/09/59/932830959.db2.gz DQSDQMYLOAADHG-JOCHJYFZSA-N 2 1 375.557 3.745 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c2cccs2)CCO1 ZINC000559787067 932856710 /nfs/dbraw/zinc/85/67/10/932856710.db2.gz MJSLGWAVVNZXCY-FVTFTPSCSA-N 2 1 399.604 3.935 20 0 GHADMP C[C@@H]1CN([C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c2cccs2)CCO1 ZINC000559787067 932856715 /nfs/dbraw/zinc/85/67/15/932856715.db2.gz MJSLGWAVVNZXCY-FVTFTPSCSA-N 2 1 399.604 3.935 20 0 GHADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000799178851 932899731 /nfs/dbraw/zinc/89/97/31/932899731.db2.gz NLDOSCZBCLVARX-HNNXBMFYSA-N 2 1 398.378 3.978 20 0 GHADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)CC1 ZINC000799178308 932900272 /nfs/dbraw/zinc/90/02/72/932900272.db2.gz RRSRXVDKVYYFCT-SFHVURJKSA-N 2 1 396.362 3.907 20 0 GHADMP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178993 932901585 /nfs/dbraw/zinc/90/15/85/932901585.db2.gz WOKFKDQJXLFGPL-CQSZACIVSA-N 2 1 390.528 3.570 20 0 GHADMP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178993 932901598 /nfs/dbraw/zinc/90/15/98/932901598.db2.gz WOKFKDQJXLFGPL-CQSZACIVSA-N 2 1 390.528 3.570 20 0 GHADMP C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000559876722 932917543 /nfs/dbraw/zinc/91/75/43/932917543.db2.gz BTCRRGUEEUZISE-JXFKEZNVSA-N 2 1 375.532 3.730 20 0 GHADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000560246144 933152809 /nfs/dbraw/zinc/15/28/09/933152809.db2.gz MRESJSWCSMPTES-KNXBSLHKSA-N 2 1 380.536 3.853 20 0 GHADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccccc3CC[NH+](C)C)CC2)cc1 ZINC001116718490 933719250 /nfs/dbraw/zinc/71/92/50/933719250.db2.gz YNHHHUAVTLZIQL-UHFFFAOYSA-N 2 1 394.563 3.839 20 0 GHADMP COC(=O)c1cccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1 ZINC001116881657 933809951 /nfs/dbraw/zinc/80/99/51/933809951.db2.gz WTUJFHZGQDVPPT-UHFFFAOYSA-N 2 1 381.520 3.863 20 0 GHADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000561755383 934423222 /nfs/dbraw/zinc/42/32/22/934423222.db2.gz WWNPNSZQYXKRMI-UHFFFAOYSA-N 2 1 385.842 3.567 20 0 GHADMP Cc1ccc(-c2nn(C[N@@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c(=S)n2C)cc1 ZINC001120255396 934450531 /nfs/dbraw/zinc/45/05/31/934450531.db2.gz GVNCJTLKJDNKDO-OTWHNJEPSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1ccc(-c2nn(C[N@H+]3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c(=S)n2C)cc1 ZINC001120255396 934450538 /nfs/dbraw/zinc/45/05/38/934450538.db2.gz GVNCJTLKJDNKDO-OTWHNJEPSA-N 2 1 385.581 3.546 20 0 GHADMP Cc1cc([C@H]([NH3+])CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(Cl)n1 ZINC000829597861 935832706 /nfs/dbraw/zinc/83/27/06/935832706.db2.gz BOYJLQVPKFERAI-YQVWRLOYSA-N 2 1 392.975 3.546 20 0 GHADMP C[NH+](C)[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC001461001838 1069328613 /nfs/dbraw/zinc/32/86/13/1069328613.db2.gz YVWZURMOYLRKHF-BJKOFHAPSA-N 2 1 377.576 3.946 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000544847641 1015094866 /nfs/dbraw/zinc/09/48/66/1015094866.db2.gz PWMPEDRJGVXMFS-HTAPYJJXSA-N 2 1 399.966 3.901 20 0 GHADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+]1CCCCCC1 ZINC000468192281 1015387447 /nfs/dbraw/zinc/38/74/47/1015387447.db2.gz NUWRYCSGVBHDKC-CQSZACIVSA-N 2 1 382.346 3.714 20 0 GHADMP CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000468430398 1015700548 /nfs/dbraw/zinc/70/05/48/1015700548.db2.gz XHPSGKRZXYBYNX-FQEVSTJZSA-N 2 1 388.600 3.792 20 0 GHADMP CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468512814 1015766360 /nfs/dbraw/zinc/76/63/60/1015766360.db2.gz YLEMNOHFVJKTOV-RBBKRZOGSA-N 2 1 387.568 3.796 20 0 GHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468554193 1015801272 /nfs/dbraw/zinc/80/12/72/1015801272.db2.gz NQAPUZLXDNHJTM-LAUBAEHRSA-N 2 1 392.465 3.863 20 0 GHADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468554193 1015801278 /nfs/dbraw/zinc/80/12/78/1015801278.db2.gz NQAPUZLXDNHJTM-LAUBAEHRSA-N 2 1 392.465 3.863 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000468959234 1016273319 /nfs/dbraw/zinc/27/33/19/1016273319.db2.gz MLSMXIVUHBYFCV-KDOFPFPSSA-N 2 1 385.474 3.687 20 0 GHADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000468959119 1016273923 /nfs/dbraw/zinc/27/39/23/1016273923.db2.gz MLSMXIVUHBYFCV-KBXCAEBGSA-N 2 1 385.474 3.687 20 0 GHADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000470274578 1016757579 /nfs/dbraw/zinc/75/75/79/1016757579.db2.gz KYLMTZJBYKRJID-HJNYFJLDSA-N 2 1 388.600 3.515 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000470274578 1016757589 /nfs/dbraw/zinc/75/75/89/1016757589.db2.gz KYLMTZJBYKRJID-HJNYFJLDSA-N 2 1 388.600 3.515 20 0 GHADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[C@H](C)C1 ZINC000470274578 1016757601 /nfs/dbraw/zinc/75/76/01/1016757601.db2.gz KYLMTZJBYKRJID-HJNYFJLDSA-N 2 1 388.600 3.515 20 0 GHADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C ZINC000470492609 1016798277 /nfs/dbraw/zinc/79/82/77/1016798277.db2.gz PCSQDXKKZZDLPR-IBGZPJMESA-N 2 1 394.629 3.768 20 0 GHADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000470602469 1016830041 /nfs/dbraw/zinc/83/00/41/1016830041.db2.gz SVSIQBKINMNWCC-MOPGFXCFSA-N 2 1 397.485 3.831 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC001220883004 1032172564 /nfs/dbraw/zinc/17/25/64/1032172564.db2.gz FQTDQGGGLXFDFF-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC001220883004 1032172573 /nfs/dbraw/zinc/17/25/73/1032172573.db2.gz FQTDQGGGLXFDFF-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP CCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+](CC)C1 ZINC001220883004 1032172580 /nfs/dbraw/zinc/17/25/80/1032172580.db2.gz FQTDQGGGLXFDFF-UGKGYDQZSA-N 2 1 386.584 3.544 20 0 GHADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001221063324 1032262924 /nfs/dbraw/zinc/26/29/24/1032262924.db2.gz RVJFZDPTXBFMKG-RJGXRXQPSA-N 2 1 377.532 3.508 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1Cl ZINC001221073848 1032267932 /nfs/dbraw/zinc/26/79/32/1032267932.db2.gz GKYJVGOESHDMNO-RYGJVYDSSA-N 2 1 392.975 3.505 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)C1 ZINC001221071149 1032267185 /nfs/dbraw/zinc/26/71/85/1032267185.db2.gz KHPIGPDYFDWFIQ-MOPGFXCFSA-N 2 1 392.613 3.645 20 0 GHADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+](C)C1CCCCC1 ZINC001221275254 1032356690 /nfs/dbraw/zinc/35/66/90/1032356690.db2.gz MOLPLKJKWNBOFS-IBGZPJMESA-N 2 1 388.600 3.979 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001221275254 1032356705 /nfs/dbraw/zinc/35/67/05/1032356705.db2.gz MOLPLKJKWNBOFS-IBGZPJMESA-N 2 1 388.600 3.979 20 0 GHADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001221275254 1032356719 /nfs/dbraw/zinc/35/67/19/1032356719.db2.gz MOLPLKJKWNBOFS-IBGZPJMESA-N 2 1 388.600 3.979 20 0 GHADMP C[C@@H]1C[C@@H](CNc2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)C[NH2+]1 ZINC001155101902 1032415892 /nfs/dbraw/zinc/41/58/92/1032415892.db2.gz OJMIAWORKTYVJY-HUUCEWRRSA-N 2 1 385.581 3.576 20 0 GHADMP c1cc2ncnc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)c2s1 ZINC001155358619 1032517417 /nfs/dbraw/zinc/51/74/17/1032517417.db2.gz UIQLRORFYJLLOD-GOSISDBHSA-N 2 1 393.560 3.605 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cccc(C4CC4)n3)C3(C2)CC[NH2+]CC3)cc1 ZINC001155361744 1032519062 /nfs/dbraw/zinc/51/90/62/1032519062.db2.gz NEGXXELDKQHTTJ-NRFANRHFSA-N 2 1 376.548 3.873 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001221738922 1032520805 /nfs/dbraw/zinc/52/08/05/1032520805.db2.gz AUBBLHMMMATZOR-HXUWFJFHSA-N 2 1 386.584 3.513 20 0 GHADMP Cc1nc2scc(-c3cccs3)c2c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155382475 1032526438 /nfs/dbraw/zinc/52/64/38/1032526438.db2.gz NXZHXDYFYKHXSM-HNNXBMFYSA-N 2 1 399.589 3.588 20 0 GHADMP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc(-c4ccc(-c5ccccc5)cc4)nn3)C2)C1 ZINC001155381188 1032526639 /nfs/dbraw/zinc/52/66/39/1032526639.db2.gz BIHIVOAKJWIEGX-HSZRJFAPSA-N 2 1 399.542 3.670 20 0 GHADMP C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC1(C)C ZINC001221898697 1032567709 /nfs/dbraw/zinc/56/77/09/1032567709.db2.gz CSWSRJJFHOPGIX-UHFFFAOYSA-N 2 1 386.584 3.688 20 0 GHADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001204150543 1032604732 /nfs/dbraw/zinc/60/47/32/1032604732.db2.gz SBSIJHHSLYBOGR-XMMPIXPASA-N 2 1 378.516 3.961 20 0 GHADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001204150543 1032604740 /nfs/dbraw/zinc/60/47/40/1032604740.db2.gz SBSIJHHSLYBOGR-XMMPIXPASA-N 2 1 378.516 3.961 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001204150543 1032604745 /nfs/dbraw/zinc/60/47/45/1032604745.db2.gz SBSIJHHSLYBOGR-XMMPIXPASA-N 2 1 378.516 3.961 20 0 GHADMP COC(=O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001204150543 1032604752 /nfs/dbraw/zinc/60/47/52/1032604752.db2.gz SBSIJHHSLYBOGR-XMMPIXPASA-N 2 1 378.516 3.961 20 0 GHADMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204166309 1032617891 /nfs/dbraw/zinc/61/78/91/1032617891.db2.gz SHMKEBRYVCQPFQ-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204166309 1032617904 /nfs/dbraw/zinc/61/79/04/1032617904.db2.gz SHMKEBRYVCQPFQ-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP CC(C)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001204166309 1032617910 /nfs/dbraw/zinc/61/79/10/1032617910.db2.gz SHMKEBRYVCQPFQ-DNQXCXABSA-N 2 1 379.548 3.928 20 0 GHADMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001204171751 1032622850 /nfs/dbraw/zinc/62/28/50/1032622850.db2.gz MRXLLFHNCRHJGE-HXUWFJFHSA-N 2 1 385.577 3.955 20 0 GHADMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001204171751 1032622860 /nfs/dbraw/zinc/62/28/60/1032622860.db2.gz MRXLLFHNCRHJGE-HXUWFJFHSA-N 2 1 385.577 3.955 20 0 GHADMP Fc1ccc([C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c2ccccn2)cc1 ZINC000925818881 1017153306 /nfs/dbraw/zinc/15/33/06/1017153306.db2.gz VPUONSUMZXAUFW-DEOSSOPVSA-N 2 1 390.506 3.505 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC001204264153 1032707463 /nfs/dbraw/zinc/70/74/63/1032707463.db2.gz DNCLADVBDPUFEW-RPWUZVMVSA-N 2 1 397.563 3.767 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC001204264153 1032707478 /nfs/dbraw/zinc/70/74/78/1032707478.db2.gz DNCLADVBDPUFEW-RPWUZVMVSA-N 2 1 397.563 3.767 20 0 GHADMP Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC001204264153 1032707494 /nfs/dbraw/zinc/70/74/94/1032707494.db2.gz DNCLADVBDPUFEW-RPWUZVMVSA-N 2 1 397.563 3.767 20 0 GHADMP C[NH+](C)CCCOc1ccc(CN2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001204267035 1032709587 /nfs/dbraw/zinc/70/95/87/1032709587.db2.gz CZGDWVZRTRFUIN-ZCYQVOJMSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)cc1 ZINC001204267035 1032709602 /nfs/dbraw/zinc/70/96/02/1032709602.db2.gz CZGDWVZRTRFUIN-ZCYQVOJMSA-N 2 1 393.575 3.723 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)cc1 ZINC001204267035 1032709617 /nfs/dbraw/zinc/70/96/17/1032709617.db2.gz CZGDWVZRTRFUIN-ZCYQVOJMSA-N 2 1 393.575 3.723 20 0 GHADMP COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001204268802 1032711939 /nfs/dbraw/zinc/71/19/39/1032711939.db2.gz QEYKQCURSZKKIW-UHFFFAOYSA-N 2 1 384.520 3.582 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)cc1 ZINC001204270548 1032712616 /nfs/dbraw/zinc/71/26/16/1032712616.db2.gz UWFKRIXMTWTEHV-HSZRJFAPSA-N 2 1 386.511 3.904 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)cc1 ZINC001204270548 1032712635 /nfs/dbraw/zinc/71/26/35/1032712635.db2.gz UWFKRIXMTWTEHV-HSZRJFAPSA-N 2 1 386.511 3.904 20 0 GHADMP CC[N@H+]1CC[C@H](Nc2cc(NC(=O)C[NH+]3CCCC[C@H]3C)ccc2F)[C@H](C)C1 ZINC000561887727 1017969589 /nfs/dbraw/zinc/96/95/89/1017969589.db2.gz MATKJABBIIXWDS-HLIPFELVSA-N 2 1 390.547 3.781 20 0 GHADMP CC[NH+]1CC[C@H](Nc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)[C@H](C)C1 ZINC000561887727 1017969595 /nfs/dbraw/zinc/96/95/95/1017969595.db2.gz MATKJABBIIXWDS-HLIPFELVSA-N 2 1 390.547 3.781 20 0 GHADMP CC[NH+]1CC[C@H](Nc2cc(NC(=O)C[N@H+]3CCCC[C@H]3C)ccc2F)[C@H](C)C1 ZINC000561887727 1017969597 /nfs/dbraw/zinc/96/95/97/1017969597.db2.gz MATKJABBIIXWDS-HLIPFELVSA-N 2 1 390.547 3.781 20 0 GHADMP CC(C)[C@@H]1N(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC12CCCCCC2 ZINC001228041560 1032748716 /nfs/dbraw/zinc/74/87/16/1032748716.db2.gz AFVSAEGHSKGGGX-FPOVZHCZSA-N 2 1 390.616 3.545 20 0 GHADMP CC(C)[C@@H]1N(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC12CCCCCC2 ZINC001228041560 1032748733 /nfs/dbraw/zinc/74/87/33/1032748733.db2.gz AFVSAEGHSKGGGX-FPOVZHCZSA-N 2 1 390.616 3.545 20 0 GHADMP CC1(C)C[N@@H+](Cc2ccc(OCCN3CCOCC3)cc2)Cc2ccccc21 ZINC001204346889 1032784808 /nfs/dbraw/zinc/78/48/08/1032784808.db2.gz DPPZTPCLQWRXGL-UHFFFAOYSA-N 2 1 380.532 3.691 20 0 GHADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563661684 1018941529 /nfs/dbraw/zinc/94/15/29/1018941529.db2.gz IWBJSSUPDUGORW-CDHQVMDDSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563661684 1018941530 /nfs/dbraw/zinc/94/15/30/1018941530.db2.gz IWBJSSUPDUGORW-CDHQVMDDSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563661684 1018941533 /nfs/dbraw/zinc/94/15/33/1018941533.db2.gz IWBJSSUPDUGORW-CDHQVMDDSA-N 2 1 396.526 3.517 20 0 GHADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000563661684 1018941542 /nfs/dbraw/zinc/94/15/42/1018941542.db2.gz IWBJSSUPDUGORW-CDHQVMDDSA-N 2 1 396.526 3.517 20 0 GHADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)s1 ZINC000564059251 1019003973 /nfs/dbraw/zinc/00/39/73/1019003973.db2.gz KROJRMXGVVETAX-FPOVZHCZSA-N 2 1 391.625 3.847 20 0 GHADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000569690810 1019502490 /nfs/dbraw/zinc/50/24/90/1019502490.db2.gz OGAYBNRJUPDCCC-MBVXMONXSA-N 2 1 393.522 3.631 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000569690810 1019502498 /nfs/dbraw/zinc/50/24/98/1019502498.db2.gz OGAYBNRJUPDCCC-MBVXMONXSA-N 2 1 393.522 3.631 20 0 GHADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000576594043 1020040801 /nfs/dbraw/zinc/04/08/01/1020040801.db2.gz BOQONRHYZOESEP-PZJWPPBQSA-N 2 1 394.563 3.871 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577492265 1020210245 /nfs/dbraw/zinc/21/02/45/1020210245.db2.gz KIBBPKWJBXVTAY-FCHUYYIVSA-N 2 1 380.532 3.522 20 0 GHADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577492265 1020210253 /nfs/dbraw/zinc/21/02/53/1020210253.db2.gz KIBBPKWJBXVTAY-FCHUYYIVSA-N 2 1 380.532 3.522 20 0 GHADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000601236681 1020318297 /nfs/dbraw/zinc/31/82/97/1020318297.db2.gz QLIYXFZLOYRCDR-KNQAVFIVSA-N 2 1 386.584 3.591 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000578319560 1020343608 /nfs/dbraw/zinc/34/36/08/1020343608.db2.gz QIKMSSFRNGXDCY-FDDCHVKYSA-N 2 1 377.532 3.564 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(-n2ccc3cc(N4CC[NH2+]CC4)ccc32)nc1 ZINC001156220763 1032929678 /nfs/dbraw/zinc/92/96/78/1032929678.db2.gz GYOCDEHPLUFLKN-JOCHJYFZSA-N 2 1 389.547 3.982 20 0 GHADMP CC(=O)N1CC[NH+](Cc2cccc(-c3ccc([C@H]4CCC[NH2+]4)cc3C)c2)CC1 ZINC000629762811 1020767151 /nfs/dbraw/zinc/76/71/51/1020767151.db2.gz ZDBLOLQYLHGRKY-XMMPIXPASA-N 2 1 377.532 3.751 20 0 GHADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000834501488 1021228891 /nfs/dbraw/zinc/22/88/91/1021228891.db2.gz BREQODMNUJMJQI-YPAWHYETSA-N 2 1 385.552 3.640 20 0 GHADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000834588648 1021287645 /nfs/dbraw/zinc/28/76/45/1021287645.db2.gz DLKDLMCOIOKEKM-LWYYNNOASA-N 2 1 397.604 3.501 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cn1 ZINC000902947478 1021560597 /nfs/dbraw/zinc/56/05/97/1021560597.db2.gz JIRDGRJRGWJOJY-KDOFPFPSSA-N 2 1 379.426 3.518 20 0 GHADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cn1 ZINC000902947478 1021560610 /nfs/dbraw/zinc/56/06/10/1021560610.db2.gz JIRDGRJRGWJOJY-KDOFPFPSSA-N 2 1 379.426 3.518 20 0 GHADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC001203032667 1021563288 /nfs/dbraw/zinc/56/32/88/1021563288.db2.gz RSDMAVDQAYTYKX-UHFFFAOYSA-N 2 1 385.346 3.678 20 0 GHADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC001203032667 1021563302 /nfs/dbraw/zinc/56/33/02/1021563302.db2.gz RSDMAVDQAYTYKX-UHFFFAOYSA-N 2 1 385.346 3.678 20 0 GHADMP CN(C(=O)c1cc2ccsc2[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000677291116 1021813837 /nfs/dbraw/zinc/81/38/37/1021813837.db2.gz UJSDZXBYJKFGAC-RBUKOAKNSA-N 2 1 388.581 3.639 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC23CCCCC3)CC1 ZINC000677569021 1021848810 /nfs/dbraw/zinc/84/88/10/1021848810.db2.gz LYEVAVRXAONRFO-UHFFFAOYSA-N 2 1 383.580 3.874 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000677583219 1021852549 /nfs/dbraw/zinc/85/25/49/1021852549.db2.gz ANKFMCCQMSZARV-PKTZIBPZSA-N 2 1 398.595 3.729 20 0 GHADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000678285739 1021916571 /nfs/dbraw/zinc/91/65/71/1021916571.db2.gz ZVGJFGKYMNNBDK-GOSISDBHSA-N 2 1 378.520 3.997 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000678285739 1021916575 /nfs/dbraw/zinc/91/65/75/1021916575.db2.gz ZVGJFGKYMNNBDK-GOSISDBHSA-N 2 1 378.520 3.997 20 0 GHADMP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000678285739 1021916582 /nfs/dbraw/zinc/91/65/82/1021916582.db2.gz ZVGJFGKYMNNBDK-GOSISDBHSA-N 2 1 378.520 3.997 20 0 GHADMP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000678285739 1021916587 /nfs/dbraw/zinc/91/65/87/1021916587.db2.gz ZVGJFGKYMNNBDK-GOSISDBHSA-N 2 1 378.520 3.997 20 0 GHADMP C[C@H](Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F)C1CC[NH+](C)CC1 ZINC000679087240 1021959929 /nfs/dbraw/zinc/95/99/29/1021959929.db2.gz SUXQYODCLBCRLY-IRXDYDNUSA-N 2 1 390.547 3.781 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C(C)(C)C)[nH]1)CC2 ZINC001137373553 1021995829 /nfs/dbraw/zinc/99/58/29/1021995829.db2.gz DKSSHDQNYASLLH-OAQYLSRUSA-N 2 1 396.579 3.963 20 0 GHADMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C(=O)NC(C)C)cc4)C[C@H]3C2)cc1 ZINC001140615219 1022075443 /nfs/dbraw/zinc/07/54/43/1022075443.db2.gz XZKHCPRZVKYLMV-DNQXCXABSA-N 2 1 391.559 3.697 20 0 GHADMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc(C)c1O ZINC001140656192 1022185826 /nfs/dbraw/zinc/18/58/26/1022185826.db2.gz MNDNOEOJQWCKAV-UHFFFAOYSA-N 2 1 380.532 3.876 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc(C)c1O ZINC001140656399 1022187380 /nfs/dbraw/zinc/18/73/80/1022187380.db2.gz UVYTUIVFQTXZHN-VJBWXMMDSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)cc(C)c1O ZINC001140656399 1022187392 /nfs/dbraw/zinc/18/73/92/1022187392.db2.gz UVYTUIVFQTXZHN-VJBWXMMDSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)cc(C)c1O ZINC001140656399 1022187398 /nfs/dbraw/zinc/18/73/98/1022187398.db2.gz UVYTUIVFQTXZHN-VJBWXMMDSA-N 2 1 394.563 3.581 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)cc(C)c1O ZINC001140656399 1022187405 /nfs/dbraw/zinc/18/74/05/1022187405.db2.gz UVYTUIVFQTXZHN-VJBWXMMDSA-N 2 1 394.563 3.581 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C)c1 ZINC001140674764 1022230633 /nfs/dbraw/zinc/23/06/33/1022230633.db2.gz LPEVOJCUZFNLGU-UHFFFAOYSA-N 2 1 395.547 3.513 20 0 GHADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001140694800 1022287336 /nfs/dbraw/zinc/28/73/36/1022287336.db2.gz BZASAJZGQSYPDS-VQTJNVASSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001140694800 1022287347 /nfs/dbraw/zinc/28/73/47/1022287347.db2.gz BZASAJZGQSYPDS-VQTJNVASSA-N 2 1 381.520 3.535 20 0 GHADMP CCOC(=O)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)[nH]1 ZINC001140694800 1022287361 /nfs/dbraw/zinc/28/73/61/1022287361.db2.gz BZASAJZGQSYPDS-VQTJNVASSA-N 2 1 381.520 3.535 20 0 GHADMP Cc1cc(F)ccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001140779946 1022504977 /nfs/dbraw/zinc/50/49/77/1022504977.db2.gz HKXVPWDHHLMKEJ-UHFFFAOYSA-N 2 1 383.511 3.644 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801477 1022569256 /nfs/dbraw/zinc/56/92/56/1022569256.db2.gz OVKAQCQZTDQQDE-WIYYLYMNSA-N 2 1 388.487 3.734 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001140801477 1022569267 /nfs/dbraw/zinc/56/92/67/1022569267.db2.gz OVKAQCQZTDQQDE-WIYYLYMNSA-N 2 1 388.487 3.734 20 0 GHADMP COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802634 1022571622 /nfs/dbraw/zinc/57/16/22/1022571622.db2.gz BOVKXFHISYOJPJ-UHFFFAOYSA-N 2 1 394.519 3.677 20 0 GHADMP COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802634 1022571636 /nfs/dbraw/zinc/57/16/36/1022571636.db2.gz BOVKXFHISYOJPJ-UHFFFAOYSA-N 2 1 394.519 3.677 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(OC)c(N)c2)CC3)c1 ZINC001140896981 1022827945 /nfs/dbraw/zinc/82/79/45/1022827945.db2.gz GVJLTSNSWOHRTJ-UHFFFAOYSA-N 2 1 395.547 3.774 20 0 GHADMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccn3ccnc3c1)CC2 ZINC001141048293 1023384742 /nfs/dbraw/zinc/38/47/42/1023384742.db2.gz IKJPRONJBWQROH-LJQANCHMSA-N 2 1 396.560 3.651 20 0 GHADMP C[NH2+][C@@H]1CCN1c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001156657779 1033160849 /nfs/dbraw/zinc/16/08/49/1033160849.db2.gz DKMQAASFNFYFEO-IBGZPJMESA-N 2 1 398.938 3.512 20 0 GHADMP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001138099076 1024076041 /nfs/dbraw/zinc/07/60/41/1024076041.db2.gz JFRUZSLQOHUDML-GPXNEJASSA-N 2 1 394.563 3.657 20 0 GHADMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1 ZINC001138099076 1024076055 /nfs/dbraw/zinc/07/60/55/1024076055.db2.gz JFRUZSLQOHUDML-GPXNEJASSA-N 2 1 394.563 3.657 20 0 GHADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1 ZINC001138099076 1024076067 /nfs/dbraw/zinc/07/60/67/1024076067.db2.gz JFRUZSLQOHUDML-GPXNEJASSA-N 2 1 394.563 3.657 20 0 GHADMP CCOc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1 ZINC001138099076 1024076079 /nfs/dbraw/zinc/07/60/79/1024076079.db2.gz JFRUZSLQOHUDML-GPXNEJASSA-N 2 1 394.563 3.657 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC001138138982 1024209881 /nfs/dbraw/zinc/20/98/81/1024209881.db2.gz ZPDIGYXKQVHLLQ-XMMPIXPASA-N 2 1 395.547 3.906 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1C ZINC001138138982 1024209893 /nfs/dbraw/zinc/20/98/93/1024209893.db2.gz ZPDIGYXKQVHLLQ-XMMPIXPASA-N 2 1 395.547 3.906 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1C ZINC001138138982 1024209913 /nfs/dbraw/zinc/20/99/13/1024209913.db2.gz ZPDIGYXKQVHLLQ-XMMPIXPASA-N 2 1 395.547 3.906 20 0 GHADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1C ZINC001138138982 1024209925 /nfs/dbraw/zinc/20/99/25/1024209925.db2.gz ZPDIGYXKQVHLLQ-XMMPIXPASA-N 2 1 395.547 3.906 20 0 GHADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(N(C)C)s4)CC3)C2)cc1 ZINC001138492123 1024924677 /nfs/dbraw/zinc/92/46/77/1024924677.db2.gz ZRUVRZGEVNRVOL-UHFFFAOYSA-N 2 1 399.604 3.990 20 0 GHADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001138503867 1024939125 /nfs/dbraw/zinc/93/91/25/1024939125.db2.gz DGTFZQWYECQPAU-UHFFFAOYSA-N 2 1 375.520 3.574 20 0 GHADMP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H]2CCCC[C@@H]12 ZINC001138544772 1024989310 /nfs/dbraw/zinc/98/93/10/1024989310.db2.gz OQNFTMQGRRGBEG-FCEUIQTBSA-N 2 1 381.520 3.982 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H]2CCCC[C@@H]12 ZINC001138544772 1024989311 /nfs/dbraw/zinc/98/93/11/1024989311.db2.gz OQNFTMQGRRGBEG-FCEUIQTBSA-N 2 1 381.520 3.982 20 0 GHADMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(C)s1 ZINC001138566093 1025036432 /nfs/dbraw/zinc/03/64/32/1025036432.db2.gz AOHVCFBHFYSXNH-FSSWDIPSSA-N 2 1 384.593 3.936 20 0 GHADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(C)s1 ZINC001138566093 1025036444 /nfs/dbraw/zinc/03/64/44/1025036444.db2.gz AOHVCFBHFYSXNH-FSSWDIPSSA-N 2 1 384.593 3.936 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(C)s1 ZINC001138566093 1025036452 /nfs/dbraw/zinc/03/64/52/1025036452.db2.gz AOHVCFBHFYSXNH-FSSWDIPSSA-N 2 1 384.593 3.936 20 0 GHADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(C)s1 ZINC001138566093 1025036458 /nfs/dbraw/zinc/03/64/58/1025036458.db2.gz AOHVCFBHFYSXNH-FSSWDIPSSA-N 2 1 384.593 3.936 20 0 GHADMP CCSc1ncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001138657609 1025174679 /nfs/dbraw/zinc/17/46/79/1025174679.db2.gz JTXYITPYQTXUQM-RTWAWAEBSA-N 2 1 382.577 3.933 20 0 GHADMP CCSc1ncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001138657609 1025174703 /nfs/dbraw/zinc/17/47/03/1025174703.db2.gz JTXYITPYQTXUQM-RTWAWAEBSA-N 2 1 382.577 3.933 20 0 GHADMP CCSc1ncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001138657609 1025174714 /nfs/dbraw/zinc/17/47/14/1025174714.db2.gz JTXYITPYQTXUQM-RTWAWAEBSA-N 2 1 382.577 3.933 20 0 GHADMP COc1ccccc1[C@H](O)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC001138772836 1025343864 /nfs/dbraw/zinc/34/38/64/1025343864.db2.gz GDBKENISQWMCQD-JOCHJYFZSA-N 2 1 386.536 3.580 20 0 GHADMP CCN(CC)c1ncc(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)s1 ZINC001138801250 1025388967 /nfs/dbraw/zinc/38/89/67/1025388967.db2.gz OQTPSKUSPDVUKR-BGYRXZFFSA-N 2 1 384.593 3.862 20 0 GHADMP CC(C)(C)OC(=O)NCC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000839063489 1025553108 /nfs/dbraw/zinc/55/31/08/1025553108.db2.gz NOBROQDOGIJAMI-UHFFFAOYSA-N 2 1 388.556 3.704 20 0 GHADMP C[N@H+]1CCN(CCC[NH2+]Cc2nc(C(C)(C)C)cs2)[C@H](c2ccccc2)C1 ZINC001461037431 1069351601 /nfs/dbraw/zinc/35/16/01/1069351601.db2.gz SKHKCFJOJUYLCM-IBGZPJMESA-N 2 1 386.609 3.909 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)nc1OC ZINC001139103986 1025913074 /nfs/dbraw/zinc/91/30/74/1025913074.db2.gz AOIWOJBKVDZLCD-HXUWFJFHSA-N 2 1 385.508 3.568 20 0 GHADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC[C@@H]2CC[NH2+]C[C@@H]2F)n1 ZINC001162808261 1025925521 /nfs/dbraw/zinc/92/55/21/1025925521.db2.gz HJZRNIAPABYZBZ-RDJZCZTQSA-N 2 1 399.539 3.779 20 0 GHADMP COc1cc2[nH+]c(NCc3ccc4c(c3)CC[NH2+]C4)ccc2c(OC)c1OC ZINC001162808023 1025925678 /nfs/dbraw/zinc/92/56/78/1025925678.db2.gz XQAYCCJWIFEJSY-UHFFFAOYSA-N 2 1 379.460 3.518 20 0 GHADMP CC(C)(C)c1nccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162928278 1025970459 /nfs/dbraw/zinc/97/04/59/1025970459.db2.gz IHTMEJURZVBQSO-FQEVSTJZSA-N 2 1 393.579 3.688 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3ccc4c(c3)CCOC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162935789 1025973724 /nfs/dbraw/zinc/97/37/24/1025973724.db2.gz VSINKSUKKZHORD-QHCPKHFHSA-N 2 1 391.559 3.673 20 0 GHADMP c1ccc(C[N@@H+]2C[C@H](CNc3cccc4c3OCC4)C3(C2)CC[NH2+]CC3)cc1 ZINC001162940776 1025977648 /nfs/dbraw/zinc/97/76/48/1025977648.db2.gz MIXHIPWWYNTICP-NRFANRHFSA-N 2 1 377.532 3.535 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000839525092 1026010000 /nfs/dbraw/zinc/01/00/00/1026010000.db2.gz NZHXDTJXKXFQJA-NSHGMRRFSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000839525092 1026010021 /nfs/dbraw/zinc/01/00/21/1026010021.db2.gz NZHXDTJXKXFQJA-NSHGMRRFSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000839525092 1026010033 /nfs/dbraw/zinc/01/00/33/1026010033.db2.gz NZHXDTJXKXFQJA-NSHGMRRFSA-N 2 1 377.573 3.582 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000839525092 1026010053 /nfs/dbraw/zinc/01/00/53/1026010053.db2.gz NZHXDTJXKXFQJA-NSHGMRRFSA-N 2 1 377.573 3.582 20 0 GHADMP Cc1cc(N2CC[NH+](Cc3cc4cc(Br)ccc4[nH]3)CC2)cc[nH+]1 ZINC001139184975 1026021079 /nfs/dbraw/zinc/02/10/79/1026021079.db2.gz GJSSZSDFLYMTMX-UHFFFAOYSA-N 2 1 385.309 3.956 20 0 GHADMP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000839550836 1026049504 /nfs/dbraw/zinc/04/95/04/1026049504.db2.gz IOHSKTTXWSGCBW-OTWHNJEPSA-N 2 1 379.589 3.876 20 0 GHADMP Brc1cscc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001139348768 1026218616 /nfs/dbraw/zinc/21/86/16/1026218616.db2.gz XRGKFLTWTQCEPQ-UHFFFAOYSA-N 2 1 387.387 3.835 20 0 GHADMP c1ccc(C[N@H+]2Cc3ccc(N[C@H]4CCCC[C@@]45C[NH2+]CCO5)cc3C2)cc1 ZINC001163649756 1026266207 /nfs/dbraw/zinc/26/62/07/1026266207.db2.gz BWYFNOWWWGAIME-BJKOFHAPSA-N 2 1 377.532 3.916 20 0 GHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC001163828798 1026329757 /nfs/dbraw/zinc/32/97/57/1026329757.db2.gz QDONDVMSRMHEAH-UHFFFAOYSA-N 2 1 387.531 3.942 20 0 GHADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CCC[N@H+](Cc2ccncc2)CC1 ZINC001163828798 1026329767 /nfs/dbraw/zinc/32/97/67/1026329767.db2.gz QDONDVMSRMHEAH-UHFFFAOYSA-N 2 1 387.531 3.942 20 0 GHADMP c1ccc(C[NH+]2CCN(c3ccccc3C[N@H+]3CCC[C@]34CCOC4)CC2)cc1 ZINC001139512764 1026368573 /nfs/dbraw/zinc/36/85/73/1026368573.db2.gz IHYSNPANEJHTPA-RUZDIDTESA-N 2 1 391.559 3.764 20 0 GHADMP C[C@]1(O)CCCC[N@@H+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001139513805 1026370128 /nfs/dbraw/zinc/37/01/28/1026370128.db2.gz CBHBCZDRWRPXLN-VWLOTQADSA-N 2 1 393.575 3.746 20 0 GHADMP C[C@@H]1CC[C@@H](C[NH3+])N(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C1 ZINC001164075581 1026403332 /nfs/dbraw/zinc/40/33/32/1026403332.db2.gz XJLVTKCSBQIOLN-CVEARBPZSA-N 2 1 399.608 3.730 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cn3c(cccc3F)n1)CC2 ZINC001139568078 1026436300 /nfs/dbraw/zinc/43/63/00/1026436300.db2.gz HPEAXRZGRVFKLS-UHFFFAOYSA-N 2 1 393.510 3.745 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cn3c(cccc3F)n1)CC2 ZINC001139569042 1026438698 /nfs/dbraw/zinc/43/86/98/1026438698.db2.gz YASPCUFFGQWSBA-LJQANCHMSA-N 2 1 382.483 3.943 20 0 GHADMP Cc1cc(O)cc(C)c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001139712393 1026556301 /nfs/dbraw/zinc/55/63/01/1026556301.db2.gz HNCVKJSJCBFYPU-RDGATRHJSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001139712393 1026556305 /nfs/dbraw/zinc/55/63/05/1026556305.db2.gz HNCVKJSJCBFYPU-RDGATRHJSA-N 2 1 398.591 3.970 20 0 GHADMP Cc1cc(O)cc(C)c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001139712393 1026556308 /nfs/dbraw/zinc/55/63/08/1026556308.db2.gz HNCVKJSJCBFYPU-RDGATRHJSA-N 2 1 398.591 3.970 20 0 GHADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CCC([NH3+])CC4)c23)C1 ZINC001165064640 1026582767 /nfs/dbraw/zinc/58/27/67/1026582767.db2.gz POPNSJISMWIJRK-OAHLLOKOSA-N 2 1 399.608 3.730 20 0 GHADMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(c2ccc([C@H]3CCCC[NH+]3CC)cn2)CC1 ZINC001165113328 1026613982 /nfs/dbraw/zinc/61/39/82/1026613982.db2.gz QKBUPEQQBNQACA-FGZHOGPDSA-N 2 1 386.584 3.708 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN(c2ccc([C@H]3CCCC[N@@H+]3CC)cn2)CC1 ZINC001165113328 1026613991 /nfs/dbraw/zinc/61/39/91/1026613991.db2.gz QKBUPEQQBNQACA-FGZHOGPDSA-N 2 1 386.584 3.708 20 0 GHADMP CC[NH+]([C@@H]1CCOC1)C1CCN(c2ccc([C@H]3CCCC[N@H+]3CC)cn2)CC1 ZINC001165113328 1026613997 /nfs/dbraw/zinc/61/39/97/1026613997.db2.gz QKBUPEQQBNQACA-FGZHOGPDSA-N 2 1 386.584 3.708 20 0 GHADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3C[NH2+]C[C@]3(c3ccccc3)C2)nc1 ZINC001165170353 1026646478 /nfs/dbraw/zinc/64/64/78/1026646478.db2.gz WGDZBFHZMXTZNG-CQOQZXRMSA-N 2 1 376.548 3.606 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1[nH+]ccc3cccc(C)c31)C2 ZINC001165407382 1026720482 /nfs/dbraw/zinc/72/04/82/1026720482.db2.gz LSJHFNBLHJGVTN-YADARESESA-N 2 1 393.531 3.693 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@H]3[C@H]2CC[NH+]3Cc2cccnc2)nc1 ZINC001165658468 1026787437 /nfs/dbraw/zinc/78/74/37/1026787437.db2.gz JXNVAOXEQFIIKF-RJGXRXQPSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1 ZINC001165658468 1026787447 /nfs/dbraw/zinc/78/74/47/1026787447.db2.gz JXNVAOXEQFIIKF-RJGXRXQPSA-N 2 1 391.563 3.877 20 0 GHADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1 ZINC001165658468 1026787454 /nfs/dbraw/zinc/78/74/54/1026787454.db2.gz JXNVAOXEQFIIKF-RJGXRXQPSA-N 2 1 391.563 3.877 20 0 GHADMP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4-c4cncnc4)C[C@H]3C2)c1 ZINC001140018359 1026801512 /nfs/dbraw/zinc/80/15/12/1026801512.db2.gz SOCZRSVHQGXOLL-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4-c4cncnc4)C[C@H]3C2)c1 ZINC001140018359 1026801526 /nfs/dbraw/zinc/80/15/26/1026801526.db2.gz SOCZRSVHQGXOLL-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4-c4cncnc4)C[C@H]3C2)c1 ZINC001140018359 1026801538 /nfs/dbraw/zinc/80/15/38/1026801538.db2.gz SOCZRSVHQGXOLL-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4-c4cncnc4)C[C@H]3C2)c1 ZINC001140018359 1026801552 /nfs/dbraw/zinc/80/15/52/1026801552.db2.gz SOCZRSVHQGXOLL-BGYRXZFFSA-N 2 1 376.529 3.769 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140026434 1026815795 /nfs/dbraw/zinc/81/57/95/1026815795.db2.gz LFJTZSMECHSFTF-SFHVURJKSA-N 2 1 384.524 3.870 20 0 GHADMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140026434 1026815800 /nfs/dbraw/zinc/81/58/00/1026815800.db2.gz LFJTZSMECHSFTF-SFHVURJKSA-N 2 1 384.524 3.870 20 0 GHADMP COc1c(Br)cccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001140154845 1026927846 /nfs/dbraw/zinc/92/78/46/1026927846.db2.gz XVLMXSPHROETGE-UHFFFAOYSA-N 2 1 390.325 3.900 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C(F)(F)F ZINC001206714835 1026987293 /nfs/dbraw/zinc/98/72/93/1026987293.db2.gz LMHFJDFAFQCGRM-BURFUSLBSA-N 2 1 390.490 3.893 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C(F)(F)F ZINC001206714835 1026987296 /nfs/dbraw/zinc/98/72/96/1026987296.db2.gz LMHFJDFAFQCGRM-BURFUSLBSA-N 2 1 390.490 3.893 20 0 GHADMP O=C1[C@@H](C2CC2)[C@@H](C2CC2)N1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000840076508 1027148404 /nfs/dbraw/zinc/14/84/04/1027148404.db2.gz OEYWWZXQNMOGCQ-XZOQPEGZSA-N 2 1 393.575 3.579 20 0 GHADMP CC1(C)C[N@@H+](CN2C(=O)CC23CCC3)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000840106868 1027198542 /nfs/dbraw/zinc/19/85/42/1027198542.db2.gz JANHSHJSKLXPPM-QFIPXVFZSA-N 2 1 381.564 3.722 20 0 GHADMP CCCn1cc(C[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)c(C)n1 ZINC001461209806 1069443535 /nfs/dbraw/zinc/44/35/35/1069443535.db2.gz NGFHDEAAVVITRU-UHFFFAOYSA-N 2 1 375.586 3.622 20 0 GHADMP C[NH+]1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)(c2ccccc2)CC1 ZINC001203389874 1027304384 /nfs/dbraw/zinc/30/43/84/1027304384.db2.gz NOBQZGLFIVEXGY-UHFFFAOYSA-N 3 1 377.576 3.904 20 0 GHADMP Brc1c2ccccc2cnc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263074 1027411897 /nfs/dbraw/zinc/41/18/97/1027411897.db2.gz QLICJLISJRAWPW-UHFFFAOYSA-N 2 1 384.281 3.546 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141946875 1027727552 /nfs/dbraw/zinc/72/75/52/1027727552.db2.gz GCAIXAVSGIFTMW-WWPVKYPJSA-N 2 1 396.579 3.738 20 0 GHADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC001141946875 1027727572 /nfs/dbraw/zinc/72/75/72/1027727572.db2.gz GCAIXAVSGIFTMW-WWPVKYPJSA-N 2 1 396.579 3.738 20 0 GHADMP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC001204001499 1027799447 /nfs/dbraw/zinc/79/94/47/1027799447.db2.gz XEUUHQHEHIAAAS-UHFFFAOYSA-N 2 1 379.548 3.604 20 0 GHADMP CC[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC001211270044 1027875152 /nfs/dbraw/zinc/87/51/52/1027875152.db2.gz SYLJPNUHCKFVLO-FCHUYYIVSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@H](CNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC001211270044 1027875174 /nfs/dbraw/zinc/87/51/74/1027875174.db2.gz SYLJPNUHCKFVLO-FCHUYYIVSA-N 2 1 398.595 3.530 20 0 GHADMP CC[C@H](CNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC001211270044 1027875199 /nfs/dbraw/zinc/87/51/99/1027875199.db2.gz SYLJPNUHCKFVLO-FCHUYYIVSA-N 2 1 398.595 3.530 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001142137802 1028227258 /nfs/dbraw/zinc/22/72/58/1028227258.db2.gz CRMYYYQEJSESME-RCLSDMTESA-N 2 1 389.559 3.520 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001142137802 1028227268 /nfs/dbraw/zinc/22/72/68/1028227268.db2.gz CRMYYYQEJSESME-RCLSDMTESA-N 2 1 389.559 3.520 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001142137802 1028227285 /nfs/dbraw/zinc/22/72/85/1028227285.db2.gz CRMYYYQEJSESME-RCLSDMTESA-N 2 1 389.559 3.520 20 0 GHADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC001142137800 1028228196 /nfs/dbraw/zinc/22/81/96/1028228196.db2.gz CRMYYYQEJSESME-HDAAZOAOSA-N 2 1 389.559 3.520 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001142137800 1028228212 /nfs/dbraw/zinc/22/82/12/1028228212.db2.gz CRMYYYQEJSESME-HDAAZOAOSA-N 2 1 389.559 3.520 20 0 GHADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001142137800 1028228221 /nfs/dbraw/zinc/22/82/21/1028228221.db2.gz CRMYYYQEJSESME-HDAAZOAOSA-N 2 1 389.559 3.520 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Nc2cccc(OCC[NH3+])c2)cc1 ZINC000841291820 1028380674 /nfs/dbraw/zinc/38/06/74/1028380674.db2.gz WOOSJZPZMIEEJR-GOSISDBHSA-N 2 1 396.535 3.720 20 0 GHADMP Cc1cc(-c2nc(-c3ncccc3/C=C/[NH+]3CCCC3)no2)n(-c2cc[nH+]cc2)n1 ZINC001214658283 1028842566 /nfs/dbraw/zinc/84/25/66/1028842566.db2.gz MYOPFWVOTRHYOZ-RIYZIHGNSA-N 2 1 399.458 3.754 20 0 GHADMP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000841801852 1028949429 /nfs/dbraw/zinc/94/94/29/1028949429.db2.gz ZKOHGXUELGWPJO-MHJFOBGBSA-N 2 1 392.975 3.606 20 0 GHADMP CN(C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)C1CCC([NH3+])CC1 ZINC000841801852 1028949432 /nfs/dbraw/zinc/94/94/32/1028949432.db2.gz ZKOHGXUELGWPJO-MHJFOBGBSA-N 2 1 392.975 3.606 20 0 GHADMP CN1CCN(c2cc[nH+]cc2Nc2ccc(C[NH+]3CCCCC3)c(F)c2)CC1 ZINC001215711311 1029360837 /nfs/dbraw/zinc/36/08/37/1029360837.db2.gz MQTSKOYJJCECOU-UHFFFAOYSA-N 2 1 383.515 3.702 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842695242 1029505462 /nfs/dbraw/zinc/50/54/62/1029505462.db2.gz YNIZETMYZTWYKV-QUCCMNQESA-N 2 1 387.568 3.934 20 0 GHADMP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842695242 1029505471 /nfs/dbraw/zinc/50/54/71/1029505471.db2.gz YNIZETMYZTWYKV-QUCCMNQESA-N 2 1 387.568 3.934 20 0 GHADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000842701831 1029512528 /nfs/dbraw/zinc/51/25/28/1029512528.db2.gz ALNUMVMOBCMEDT-HSZRJFAPSA-N 2 1 378.520 3.990 20 0 GHADMP C[C@@H](C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)NC(=O)OC(C)(C)C ZINC000842922297 1029687050 /nfs/dbraw/zinc/68/70/50/1029687050.db2.gz VUCCKWUXYMWVKC-XEYPJELSSA-N 2 1 375.557 3.613 20 0 GHADMP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000842922696 1029687123 /nfs/dbraw/zinc/68/71/23/1029687123.db2.gz CBXHJFMDXSOZTN-FYZZASKESA-N 2 1 387.568 3.567 20 0 GHADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H](c2ccccc2)C1 ZINC000842924699 1029689787 /nfs/dbraw/zinc/68/97/87/1029689787.db2.gz SOYLNJGOVSGCFR-NJYVYQBISA-N 2 1 387.568 3.711 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3c(C)cc(OC)cc3C)CC2)C1 ZINC001142933668 1029713559 /nfs/dbraw/zinc/71/35/59/1029713559.db2.gz ZEPAAMZVMLZOIJ-IBGZPJMESA-N 2 1 388.552 3.552 20 0 GHADMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)cc(OC)cc3C)CC2)C1 ZINC001142933668 1029713570 /nfs/dbraw/zinc/71/35/70/1029713570.db2.gz ZEPAAMZVMLZOIJ-IBGZPJMESA-N 2 1 388.552 3.552 20 0 GHADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000843056450 1029790460 /nfs/dbraw/zinc/79/04/60/1029790460.db2.gz KGKZZAJFGTVSRM-UHFFFAOYSA-N 2 1 390.959 3.531 20 0 GHADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843124416 1029817082 /nfs/dbraw/zinc/81/70/82/1029817082.db2.gz APGDBVBTPXBMAC-ZWKOTPCHSA-N 2 1 390.934 3.854 20 0 GHADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000843136058 1029820513 /nfs/dbraw/zinc/82/05/13/1029820513.db2.gz OBBNDHQKHUBIEO-QGZVFWFLSA-N 2 1 384.524 3.532 20 0 GHADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1C(F)(F)F ZINC001143145391 1029868172 /nfs/dbraw/zinc/86/81/72/1029868172.db2.gz JWJKSKAMCVKRNK-IENJSVCTSA-N 2 1 397.485 3.593 20 0 GHADMP c1sc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195282 1029901283 /nfs/dbraw/zinc/90/12/83/1029901283.db2.gz XXKDRKAKUINQHY-RTBURBONSA-N 2 1 384.545 3.863 20 0 GHADMP c1sc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195282 1029901294 /nfs/dbraw/zinc/90/12/94/1029901294.db2.gz XXKDRKAKUINQHY-RTBURBONSA-N 2 1 384.545 3.863 20 0 GHADMP c1sc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c2c1OCCO2 ZINC001143195282 1029901296 /nfs/dbraw/zinc/90/12/96/1029901296.db2.gz XXKDRKAKUINQHY-RTBURBONSA-N 2 1 384.545 3.863 20 0 GHADMP C[N@@H+](CC(=O)NCCC(c1ccccc1)c1ccccc1)C1CCC([NH3+])CC1 ZINC000843354047 1029933705 /nfs/dbraw/zinc/93/37/05/1029933705.db2.gz SWRNMHCINZWRNW-UHFFFAOYSA-N 2 1 379.548 3.527 20 0 GHADMP CC(C)c1sc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc1-c1ccccc1 ZINC000843364713 1029942450 /nfs/dbraw/zinc/94/24/50/1029942450.db2.gz MSNHKWUGUNAUJE-UHFFFAOYSA-N 2 1 398.576 3.948 20 0 GHADMP CC(C)c1sc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc1-c1ccccc1 ZINC000843364713 1029942458 /nfs/dbraw/zinc/94/24/58/1029942458.db2.gz MSNHKWUGUNAUJE-UHFFFAOYSA-N 2 1 398.576 3.948 20 0 GHADMP COCCCOc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1OC ZINC001222168116 1029985748 /nfs/dbraw/zinc/98/57/48/1029985748.db2.gz VBVVYXXZCVKQHO-HSZRJFAPSA-N 2 1 390.568 3.856 20 0 GHADMP Brc1ccn2c(C[N@@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222171471 1029987925 /nfs/dbraw/zinc/98/79/25/1029987925.db2.gz CLHRJUKZWZYHOB-LJQANCHMSA-N 2 1 391.357 3.843 20 0 GHADMP Brc1ccn2c(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cnc2c1 ZINC001222171471 1029987929 /nfs/dbraw/zinc/98/79/29/1029987929.db2.gz CLHRJUKZWZYHOB-LJQANCHMSA-N 2 1 391.357 3.843 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1C[C@@H](C)c1cccc3ccccc31)CC[NH2+]CC2 ZINC001222216131 1030010653 /nfs/dbraw/zinc/01/06/53/1030010653.db2.gz XFQKMNQEHFDMDT-GCJKJVERSA-N 2 1 380.532 3.951 20 0 GHADMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cccc(-c3ccc(F)cc3)c1)CC[NH2+]CC2 ZINC001222222102 1030016030 /nfs/dbraw/zinc/01/60/30/1030016030.db2.gz XGYOXPSOGGQDJE-QFIPXVFZSA-N 2 1 396.506 4.000 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(-c3cccs3)cc1)CC[NH2+]CC2 ZINC001222226135 1030019732 /nfs/dbraw/zinc/01/97/32/1030019732.db2.gz NKFLMJUZKPZJMH-LJQANCHMSA-N 2 1 384.545 3.922 20 0 GHADMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1c(C)cc(OC(C)C)cc1C)CC[NH2+]CC2 ZINC001222230793 1030023137 /nfs/dbraw/zinc/02/31/37/1030023137.db2.gz DMMRGGXPHVTSEM-OAQYLSRUSA-N 2 1 388.552 3.598 20 0 GHADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC001222249542 1030031897 /nfs/dbraw/zinc/03/18/97/1030031897.db2.gz ODCAIQAWQXFQGQ-FQEVSTJZSA-N 2 1 386.584 3.729 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001149206248 1030092031 /nfs/dbraw/zinc/09/20/31/1030092031.db2.gz PWRLHFDYDOZFPT-BXXSPATCSA-N 2 1 397.607 3.770 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001149463113 1030181732 /nfs/dbraw/zinc/18/17/32/1030181732.db2.gz MAILRXGAZFGWPV-LJQANCHMSA-N 2 1 399.604 3.865 20 0 GHADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC001149463113 1030181737 /nfs/dbraw/zinc/18/17/37/1030181737.db2.gz MAILRXGAZFGWPV-LJQANCHMSA-N 2 1 399.604 3.865 20 0 GHADMP CC[N@@H+](C)[C@@H](C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC001149508673 1030200140 /nfs/dbraw/zinc/20/01/40/1030200140.db2.gz ZOLCABWBTWMPGY-HSZRJFAPSA-N 2 1 391.559 3.685 20 0 GHADMP C[C@@H]1C[C@@H](C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)C[C@H](C)O1 ZINC001222574625 1030205397 /nfs/dbraw/zinc/20/53/97/1030205397.db2.gz IJMZELVQXQSHIC-IRMYBRCSSA-N 2 1 386.580 3.993 20 0 GHADMP COC1CCC(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)CC1 ZINC001222574305 1030206142 /nfs/dbraw/zinc/20/61/42/1030206142.db2.gz HTYLTOLPBFUMSF-APKLWFBNSA-N 2 1 386.580 3.995 20 0 GHADMP Nc1c(F)cccc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591219 1030218057 /nfs/dbraw/zinc/21/80/57/1030218057.db2.gz SWBKRCKBTMFOID-FQEVSTJZSA-N 2 1 383.511 3.711 20 0 GHADMP Nc1c(F)cccc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222591219 1030218073 /nfs/dbraw/zinc/21/80/73/1030218073.db2.gz SWBKRCKBTMFOID-FQEVSTJZSA-N 2 1 383.511 3.711 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615512 1030239558 /nfs/dbraw/zinc/23/95/58/1030239558.db2.gz QSSCONCIDIRCCB-QHCPKHFHSA-N 2 1 385.511 3.946 20 0 GHADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615512 1030239574 /nfs/dbraw/zinc/23/95/74/1030239574.db2.gz QSSCONCIDIRCCB-QHCPKHFHSA-N 2 1 385.511 3.946 20 0 GHADMP COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(-c2ccccc2)cn1 ZINC001222615953 1030240948 /nfs/dbraw/zinc/24/09/48/1030240948.db2.gz UNJLDUFRZWRQJH-QHCPKHFHSA-N 2 1 385.511 3.946 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(-c2ccccc2)cn1 ZINC001222615953 1030240965 /nfs/dbraw/zinc/24/09/65/1030240965.db2.gz UNJLDUFRZWRQJH-QHCPKHFHSA-N 2 1 385.511 3.946 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC001222624334 1030247026 /nfs/dbraw/zinc/24/70/26/1030247026.db2.gz XNMJILLZBAOPMB-TXEJJXNPSA-N 2 1 377.248 3.899 20 0 GHADMP FC(F)(F)Oc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Br ZINC001222629990 1030249538 /nfs/dbraw/zinc/24/95/38/1030249538.db2.gz UXCDURYKMLRSQE-BETUJISGSA-N 2 1 393.247 3.779 20 0 GHADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)CC(C)C ZINC001223090518 1030435159 /nfs/dbraw/zinc/43/51/59/1030435159.db2.gz WFIRKKAHGDEYPZ-BVSLBCMMSA-N 2 1 388.600 3.705 20 0 GHADMP [NH3+][C@@H](CSc1ccccc1)Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217735930 1030635959 /nfs/dbraw/zinc/63/59/59/1030635959.db2.gz ZBBSEFQOHQLCIB-RBUKOAKNSA-N 2 1 394.544 3.721 20 0 GHADMP [NH3+][C@H](Cc1ccc2ccccc2n1)c1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217750124 1030640679 /nfs/dbraw/zinc/64/06/79/1030640679.db2.gz ZBKSAFJIRSWYOU-TZIWHRDSSA-N 2 1 399.498 3.850 20 0 GHADMP [NH3+][C@H](Cc1ccc2ccccc2n1)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217750124 1030640692 /nfs/dbraw/zinc/64/06/92/1030640692.db2.gz ZBKSAFJIRSWYOU-TZIWHRDSSA-N 2 1 399.498 3.850 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001217967008 1030693860 /nfs/dbraw/zinc/69/38/60/1030693860.db2.gz KHQYQFWCUILBMM-NBGIEHNGSA-N 2 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001217967008 1030693869 /nfs/dbraw/zinc/69/38/69/1030693869.db2.gz KHQYQFWCUILBMM-NBGIEHNGSA-N 3 1 393.575 3.899 20 0 GHADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001217967008 1030693883 /nfs/dbraw/zinc/69/38/83/1030693883.db2.gz KHQYQFWCUILBMM-NBGIEHNGSA-N 3 1 393.575 3.899 20 0 GHADMP COC(=O)C[C@H]([NH3+])c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001218411104 1030927542 /nfs/dbraw/zinc/92/75/42/1030927542.db2.gz ZBCMBPNXVDKRTN-ICSRJNTNSA-N 2 1 388.895 3.556 20 0 GHADMP Cc1ccc(F)cc1NC(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001218810511 1031088809 /nfs/dbraw/zinc/08/88/09/1031088809.db2.gz WOWKCYHFOQBXQB-AUSIDOKSSA-N 2 1 381.495 3.574 20 0 GHADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001224900919 1031170159 /nfs/dbraw/zinc/17/01/59/1031170159.db2.gz WIDXXALSGOPBBU-FCEUIQTBSA-N 2 1 386.584 3.632 20 0 GHADMP O=C(Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2)[C@@H]1[NH2+]Cc2ccccc21 ZINC001219487016 1031453554 /nfs/dbraw/zinc/45/35/54/1031453554.db2.gz XOVCLZAAGUJVNH-JTHBVZDNSA-N 2 1 375.516 3.813 20 0 GHADMP C[C@@H]([NH3+])c1ncc(C(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)s1 ZINC001219489189 1031455583 /nfs/dbraw/zinc/45/55/83/1031455583.db2.gz KTWPPVRYUDUOPE-RDTXWAMCSA-N 2 1 384.549 3.758 20 0 GHADMP C[C@@H]1[C@@H](CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C[N@H+]1C(c1ccccc1)c1ccccc1 ZINC001219589585 1031512468 /nfs/dbraw/zinc/51/24/68/1031512468.db2.gz YPHHIVJXWHAPPU-YDLSIGKMSA-N 2 1 391.559 3.743 20 0 GHADMP CC[C@H](CC(C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219728768 1031581364 /nfs/dbraw/zinc/58/13/64/1031581364.db2.gz GZSYPIKUYHWLFC-YADHBBJMSA-N 2 1 385.596 3.677 20 0 GHADMP Cc1cc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)cnc1Cl ZINC001461823509 1069773236 /nfs/dbraw/zinc/77/32/36/1069773236.db2.gz XYSFFZRLKRUEDY-UHFFFAOYSA-N 2 1 381.911 3.956 20 0 GHADMP C[N@H+]1CCN(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1(C)C ZINC001220552805 1031988463 /nfs/dbraw/zinc/98/84/63/1031988463.db2.gz XFMRPHPZRYHLBN-IBGZPJMESA-N 2 1 392.975 3.603 20 0 GHADMP C[N@H+]1Cc2c(NC(=O)c3ccc4[nH]c(N)[nH+]c4c3)cccc2[C@H](c2ccccc2)C1 ZINC001156975603 1033351524 /nfs/dbraw/zinc/35/15/24/1033351524.db2.gz RZJLHKKKGZBTKL-SFHVURJKSA-N 2 1 397.482 3.975 20 0 GHADMP C[N@@H+]1Cc2c(NC(=O)c3ccc4[nH]c(N)[nH+]c4c3)cccc2[C@H](c2ccccc2)C1 ZINC001156975603 1033351541 /nfs/dbraw/zinc/35/15/41/1033351541.db2.gz RZJLHKKKGZBTKL-SFHVURJKSA-N 2 1 397.482 3.975 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@H+](Cc2c(Br)cccc2Br)CC1 ZINC001205560064 1033469739 /nfs/dbraw/zinc/46/97/39/1033469739.db2.gz YUCVEKNJPXMSIP-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(Br)cccc2Br)CC1 ZINC001205560064 1033469753 /nfs/dbraw/zinc/46/97/53/1033469753.db2.gz YUCVEKNJPXMSIP-AWEZNQCLSA-N 2 1 394.126 3.865 20 0 GHADMP C[NH+]1CCN(c2ccc(Nc3ccc(C4([NH+]5CCOCC5)CC4)cc3)cc2)CC1 ZINC001205810674 1033585408 /nfs/dbraw/zinc/58/54/08/1033585408.db2.gz BWZOPFXXORRUHA-UHFFFAOYSA-N 2 1 392.547 3.503 20 0 GHADMP c1ccc(C[N@H+]2CCc3nc(N4CCCC[C@]45CCC[NH2+]C5)ccc3C2)cc1 ZINC001157470951 1033608504 /nfs/dbraw/zinc/60/85/04/1033608504.db2.gz ABWUYHHOOLVRDJ-XMMPIXPASA-N 2 1 376.548 3.752 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206004898 1033680789 /nfs/dbraw/zinc/68/07/89/1033680789.db2.gz VRLYQAYEZSTPNJ-OALUTQOASA-N 2 1 386.561 3.635 20 0 GHADMP Cc1ccc(S(=O)(=O)c2ccccc2C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206004898 1033680796 /nfs/dbraw/zinc/68/07/96/1033680796.db2.gz VRLYQAYEZSTPNJ-OALUTQOASA-N 2 1 386.561 3.635 20 0 GHADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001206083933 1033712380 /nfs/dbraw/zinc/71/23/80/1033712380.db2.gz AKXBZIRSGONERH-LJQANCHMSA-N 2 1 375.557 3.745 20 0 GHADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001206083933 1033712391 /nfs/dbraw/zinc/71/23/91/1033712391.db2.gz AKXBZIRSGONERH-LJQANCHMSA-N 2 1 375.557 3.745 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(Br)ccnc2Br)CC1 ZINC001206318263 1033794040 /nfs/dbraw/zinc/79/40/40/1033794040.db2.gz OPWWYOKCWZNVHP-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(Br)ccnc2Br)CC1 ZINC001206318263 1033794052 /nfs/dbraw/zinc/79/40/52/1033794052.db2.gz OPWWYOKCWZNVHP-AWEZNQCLSA-N 2 1 391.151 3.558 20 0 GHADMP [NH3+]CCC1CC[NH+](Cc2cc(Br)ccc2Br)CC1 ZINC001206500916 1033876191 /nfs/dbraw/zinc/87/61/91/1033876191.db2.gz VAVKWFRZKHMSBL-UHFFFAOYSA-N 2 1 376.136 3.772 20 0 GHADMP Cc1cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c(Cl)cc1Cl ZINC001277444036 1033887326 /nfs/dbraw/zinc/88/73/26/1033887326.db2.gz YTDROEUNFBZWJG-HXUWFJFHSA-N 2 1 398.378 3.820 20 0 GHADMP CC[N@H+]1CCCC[C@H]1c1ccc(N(c2cccc(OC)n2)C2CC[NH2+]CC2)nc1 ZINC001158061031 1033897654 /nfs/dbraw/zinc/89/76/54/1033897654.db2.gz VLFSKKHECHZKRW-FQEVSTJZSA-N 2 1 395.551 3.922 20 0 GHADMP Cc1cc(I)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc1C ZINC001206574144 1033913029 /nfs/dbraw/zinc/91/30/29/1033913029.db2.gz PPTWPKQYZLZGOZ-QGZVFWFLSA-N 2 1 386.321 3.859 20 0 GHADMP Cc1cc(I)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc1C ZINC001206574144 1033913038 /nfs/dbraw/zinc/91/30/38/1033913038.db2.gz PPTWPKQYZLZGOZ-QGZVFWFLSA-N 2 1 386.321 3.859 20 0 GHADMP C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H]2C[NH+]4CCC2CC4)c1-3 ZINC001230129531 1033912969 /nfs/dbraw/zinc/91/29/69/1033912969.db2.gz KNKMXIPTCKNTAT-CTNGQTDRSA-N 2 1 376.500 3.617 20 0 GHADMP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC001158144371 1033933728 /nfs/dbraw/zinc/93/37/28/1033933728.db2.gz GXRRQWVJSXMYOT-HXUWFJFHSA-N 2 1 379.548 3.875 20 0 GHADMP COc1cc(C)ccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001206749721 1033968198 /nfs/dbraw/zinc/96/81/98/1033968198.db2.gz UXOLVRWCXSIRIR-FQEVSTJZSA-N 2 1 384.520 3.852 20 0 GHADMP CCc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[NH+](CC)CC)cc1 ZINC001230300658 1033985240 /nfs/dbraw/zinc/98/52/40/1033985240.db2.gz YCBAPBVDXNIJHH-WEYGHZABSA-N 2 1 386.584 3.556 20 0 GHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247295920 1034147656 /nfs/dbraw/zinc/14/76/56/1034147656.db2.gz OGBHEFLFRGWAND-MSOLQXFVSA-N 2 1 376.504 3.855 20 0 GHADMP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247295920 1034147666 /nfs/dbraw/zinc/14/76/66/1034147666.db2.gz OGBHEFLFRGWAND-MSOLQXFVSA-N 2 1 376.504 3.855 20 0 GHADMP Clc1ccc([C@H]2C[C@@H]2C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001207185412 1034154327 /nfs/dbraw/zinc/15/43/27/1034154327.db2.gz VTBBKTATAUDXKN-WIYYLYMNSA-N 2 1 384.955 3.794 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214495 1034181836 /nfs/dbraw/zinc/18/18/36/1034181836.db2.gz NUKMAMCBNSYAMG-FSSWDIPSSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214495 1034181842 /nfs/dbraw/zinc/18/18/42/1034181842.db2.gz NUKMAMCBNSYAMG-FSSWDIPSSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001207214495 1034181847 /nfs/dbraw/zinc/18/18/47/1034181847.db2.gz NUKMAMCBNSYAMG-FSSWDIPSSA-N 2 1 399.579 3.697 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001207252614 1034214794 /nfs/dbraw/zinc/21/47/94/1034214794.db2.gz OSXKBJFPTBIHRE-UHFFFAOYSA-N 2 1 379.589 3.686 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1F ZINC001207286814 1034237606 /nfs/dbraw/zinc/23/76/06/1034237606.db2.gz MWHTVQSBAUPRGM-RBUKOAKNSA-N 2 1 388.449 3.626 20 0 GHADMP CC(=O)N1CCCC[C@]12CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291131 1034242191 /nfs/dbraw/zinc/24/21/91/1034242191.db2.gz KMNANRNDKIRQQM-XMMPIXPASA-N 2 1 383.580 3.766 20 0 GHADMP c1ccc(C[NH+]2CCC(C[N@@H+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001207291739 1034243973 /nfs/dbraw/zinc/24/39/73/1034243973.db2.gz WQSOCOXZVUPVPD-BJKOFHAPSA-N 2 1 384.564 3.559 20 0 GHADMP CCOC(=O)c1nc2c(s1)C[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207293352 1034244896 /nfs/dbraw/zinc/24/48/96/1034244896.db2.gz IEIKDZJOHIOWGG-UHFFFAOYSA-N 2 1 399.560 3.590 20 0 GHADMP CCOC(=O)c1nc2c(s1)C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207293352 1034244914 /nfs/dbraw/zinc/24/49/14/1034244914.db2.gz IEIKDZJOHIOWGG-UHFFFAOYSA-N 2 1 399.560 3.590 20 0 GHADMP Cc1ccnc(O[C@@H]2CCC[N@@H+](CC3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC001207295688 1034248356 /nfs/dbraw/zinc/24/83/56/1034248356.db2.gz ZFSRACRJOCUQGM-JOCHJYFZSA-N 2 1 380.536 3.540 20 0 GHADMP C[C@H]1C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001207333902 1034282358 /nfs/dbraw/zinc/28/23/58/1034282358.db2.gz KIQRAAKNRSNDFE-KRWDZBQOSA-N 2 1 376.545 3.628 20 0 GHADMP C[C@H]1C[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CCN1c1cc[nH+]cc1 ZINC001207333902 1034282366 /nfs/dbraw/zinc/28/23/66/1034282366.db2.gz KIQRAAKNRSNDFE-KRWDZBQOSA-N 2 1 376.545 3.628 20 0 GHADMP COc1cccc(CC[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001207427188 1034363543 /nfs/dbraw/zinc/36/35/43/1034363543.db2.gz JVNYDTOBJLLPIS-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001207427188 1034363555 /nfs/dbraw/zinc/36/35/55/1034363555.db2.gz JVNYDTOBJLLPIS-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001207427188 1034363564 /nfs/dbraw/zinc/36/35/64/1034363564.db2.gz JVNYDTOBJLLPIS-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP COc1cccc(CC[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001207427188 1034363578 /nfs/dbraw/zinc/36/35/78/1034363578.db2.gz JVNYDTOBJLLPIS-OYDLWJJNSA-N 2 1 379.548 3.865 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001207482609 1034391530 /nfs/dbraw/zinc/39/15/30/1034391530.db2.gz YXWXVMBOJKYLOZ-QFIPXVFZSA-N 2 1 379.589 3.831 20 0 GHADMP C[NH+]1CCC(CC[N@H+]2CCC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001207482608 1034392278 /nfs/dbraw/zinc/39/22/78/1034392278.db2.gz YXWXVMBOJKYLOZ-JOCHJYFZSA-N 2 1 379.589 3.831 20 0 GHADMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCCc3cccc(Cl)c3)CC2)C1 ZINC001207593616 1034471543 /nfs/dbraw/zinc/47/15/43/1034471543.db2.gz JBTWRJCZIFWVGC-SFHVURJKSA-N 2 1 378.944 3.622 20 0 GHADMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCCc3cccc(Cl)c3)CC2)C1 ZINC001207593616 1034471548 /nfs/dbraw/zinc/47/15/48/1034471548.db2.gz JBTWRJCZIFWVGC-SFHVURJKSA-N 2 1 378.944 3.622 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207620254 1034491495 /nfs/dbraw/zinc/49/14/95/1034491495.db2.gz LDPKBATYYXLLLQ-NMLBUPMWSA-N 2 1 387.593 3.658 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001207640785 1034505114 /nfs/dbraw/zinc/50/51/14/1034505114.db2.gz SLFLRUFIGLAYAO-HXUWFJFHSA-N 2 1 392.584 3.914 20 0 GHADMP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001207640785 1034505124 /nfs/dbraw/zinc/50/51/24/1034505124.db2.gz SLFLRUFIGLAYAO-HXUWFJFHSA-N 2 1 392.584 3.914 20 0 GHADMP c1ccc(C[N@@H+]2CC=C(Nc3cccnc3OCC3CC[NH2+]CC3)CC2)cc1 ZINC001159295295 1034529805 /nfs/dbraw/zinc/52/98/05/1034529805.db2.gz RJWLRIUAMAUYAS-UHFFFAOYSA-N 2 1 378.520 3.662 20 0 GHADMP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001207768537 1034565324 /nfs/dbraw/zinc/56/53/24/1034565324.db2.gz ICXRTMSTQHRJHH-NAVOZUGXSA-N 2 1 386.580 3.708 20 0 GHADMP C[C@@H]1C[C@@H]([NH3+])C[C@H](c2ccncc2Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001159392280 1034577872 /nfs/dbraw/zinc/57/78/72/1034577872.db2.gz XUNNXXYTMVUAAH-DFQSSKMNSA-N 2 1 380.536 3.888 20 0 GHADMP [NH3+]C1CC[NH+](CCc2cn(-c3nc4[nH]cnc4cc3Cl)c3ccccc23)CC1 ZINC001159461756 1034607797 /nfs/dbraw/zinc/60/77/97/1034607797.db2.gz ZUUYGDVDSPKTJT-UHFFFAOYSA-N 2 1 394.910 3.521 20 0 GHADMP c1[nH]c2cccnc2c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001231488008 1034632554 /nfs/dbraw/zinc/63/25/54/1034632554.db2.gz DXZBCHOYCGELDU-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]c2cccnc2c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001231488008 1034632559 /nfs/dbraw/zinc/63/25/59/1034632559.db2.gz DXZBCHOYCGELDU-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]c2cccnc2c1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001231488008 1034632566 /nfs/dbraw/zinc/63/25/66/1034632566.db2.gz DXZBCHOYCGELDU-URXFXBBRSA-N 2 1 394.563 3.523 20 0 GHADMP C[NH+](C)CC1(C[N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CCCC1 ZINC001208185185 1034780993 /nfs/dbraw/zinc/78/09/93/1034780993.db2.gz WCCYPSKBQRVAMB-UHFFFAOYSA-N 2 1 379.589 3.831 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)C1 ZINC001208606568 1034951760 /nfs/dbraw/zinc/95/17/60/1034951760.db2.gz GKONZXKYRIQFPD-FQEVSTJZSA-N 2 1 381.564 3.509 20 0 GHADMP C[N@H+]1CCC[C@H](C[NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)C1 ZINC001208607496 1034952253 /nfs/dbraw/zinc/95/22/53/1034952253.db2.gz LIHGEOKTQCDWIJ-PMACEKPBSA-N 2 1 395.591 3.518 20 0 GHADMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C1 ZINC001208609219 1034953254 /nfs/dbraw/zinc/95/32/54/1034953254.db2.gz ZHHKDWVANPFHLV-OYRHQHFDSA-N 2 1 393.575 3.873 20 0 GHADMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](OCc3ccccn3)[C@H](Cc3ccccc3)C2)C1 ZINC001208609219 1034953259 /nfs/dbraw/zinc/95/32/59/1034953259.db2.gz ZHHKDWVANPFHLV-OYRHQHFDSA-N 2 1 393.575 3.873 20 0 GHADMP COCCO[C@H]1CCC2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc21 ZINC001208616515 1034955357 /nfs/dbraw/zinc/95/53/57/1034955357.db2.gz ZLJLESNGEFOHIS-REWPJTCUSA-N 2 1 386.580 3.860 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3COC4(CCCCC4)O3)C[C@@H]21 ZINC001208637989 1034964084 /nfs/dbraw/zinc/96/40/84/1034964084.db2.gz CIZWLLPKNNNSTK-YPIGPJMWSA-N 2 1 399.579 3.690 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](C[C@H]3COC4(CCCCC4)O3)C[C@@H]21 ZINC001208637989 1034964086 /nfs/dbraw/zinc/96/40/86/1034964086.db2.gz CIZWLLPKNNNSTK-YPIGPJMWSA-N 2 1 399.579 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](C[C@H]3COC4(CCCCC4)O3)C[C@@H]21 ZINC001208637989 1034964093 /nfs/dbraw/zinc/96/40/93/1034964093.db2.gz CIZWLLPKNNNSTK-YPIGPJMWSA-N 2 1 399.579 3.690 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](C[C@H]3COC4(CCCCC4)O3)C[C@@H]21 ZINC001208637989 1034964099 /nfs/dbraw/zinc/96/40/99/1034964099.db2.gz CIZWLLPKNNNSTK-YPIGPJMWSA-N 2 1 399.579 3.690 20 0 GHADMP C[C@@H](CC[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2)CC(C)(C)C ZINC001208661375 1034972248 /nfs/dbraw/zinc/97/22/48/1034972248.db2.gz VNJBMYBVDITNBE-QZNHQXDQSA-N 2 1 379.633 3.710 20 0 GHADMP C[C@@H](CC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2)CC(C)(C)C ZINC001208661375 1034972250 /nfs/dbraw/zinc/97/22/50/1034972250.db2.gz VNJBMYBVDITNBE-QZNHQXDQSA-N 2 1 379.633 3.710 20 0 GHADMP C[C@@H](CC[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2)CC(C)(C)C ZINC001208661375 1034972255 /nfs/dbraw/zinc/97/22/55/1034972255.db2.gz VNJBMYBVDITNBE-QZNHQXDQSA-N 2 1 379.633 3.710 20 0 GHADMP c1[nH]nc2cc(C[NH+]3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCC3CC3)ccc12 ZINC001231907543 1034983164 /nfs/dbraw/zinc/98/31/64/1034983164.db2.gz OVAIYYWOHQIGLL-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cc(C[NH+]3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCC3CC3)ccc12 ZINC001231907543 1034983166 /nfs/dbraw/zinc/98/31/66/1034983166.db2.gz OVAIYYWOHQIGLL-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cc(C[N@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)ccc12 ZINC001231907543 1034983172 /nfs/dbraw/zinc/98/31/72/1034983172.db2.gz OVAIYYWOHQIGLL-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1[nH]nc2cc(C[N@@H+]3CC[C@@]4(C[NH+](CC5CC5)C[C@H]4COCC4CC4)C3)ccc12 ZINC001231907543 1034983176 /nfs/dbraw/zinc/98/31/76/1034983176.db2.gz OVAIYYWOHQIGLL-UPVQGACJSA-N 2 1 394.563 3.523 20 0 GHADMP c1ccc(COCCOCC[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001208749629 1034996745 /nfs/dbraw/zinc/99/67/45/1034996745.db2.gz DDFPCXNRFQTRQI-RPBOFIJWSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001208749629 1034996750 /nfs/dbraw/zinc/99/67/50/1034996750.db2.gz DDFPCXNRFQTRQI-RPBOFIJWSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001208749629 1034996752 /nfs/dbraw/zinc/99/67/52/1034996752.db2.gz DDFPCXNRFQTRQI-RPBOFIJWSA-N 2 1 394.559 3.674 20 0 GHADMP c1ccc(COCCOCC[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001208749629 1034996758 /nfs/dbraw/zinc/99/67/58/1034996758.db2.gz DDFPCXNRFQTRQI-RPBOFIJWSA-N 2 1 394.559 3.674 20 0 GHADMP C[N@@H+](CCOCCOCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001208752834 1034999561 /nfs/dbraw/zinc/99/95/61/1034999561.db2.gz YICMAZIVDLSEAC-DEOSSOPVSA-N 2 1 382.548 3.674 20 0 GHADMP C[NH+](CCOCCOCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208752834 1034999563 /nfs/dbraw/zinc/99/95/63/1034999563.db2.gz YICMAZIVDLSEAC-DEOSSOPVSA-N 2 1 382.548 3.674 20 0 GHADMP C[NH+](CCOCCOCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208752834 1034999565 /nfs/dbraw/zinc/99/95/65/1034999565.db2.gz YICMAZIVDLSEAC-DEOSSOPVSA-N 2 1 382.548 3.674 20 0 GHADMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](CC1(c3ccccc3)CCCC1)CC2 ZINC001208773918 1035014137 /nfs/dbraw/zinc/01/41/37/1035014137.db2.gz FMCVWDIINJQHKU-UHFFFAOYSA-N 2 1 378.564 3.849 20 0 GHADMP O=C([C@H]1CCCC[NH2+]C1)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001160680217 1035033190 /nfs/dbraw/zinc/03/31/90/1035033190.db2.gz RONNZEKQLVXPOU-ZEQRLZLVSA-N 2 1 391.559 3.679 20 0 GHADMP [NH3+][C@@H](C(=O)N(Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001160680166 1035033793 /nfs/dbraw/zinc/03/37/93/1035033793.db2.gz QNDTTYYJWJFVEB-LOSJGSFVSA-N 2 1 399.538 3.990 20 0 GHADMP [NH3+][C@@H](C(=O)N(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001160680166 1035033801 /nfs/dbraw/zinc/03/38/01/1035033801.db2.gz QNDTTYYJWJFVEB-LOSJGSFVSA-N 2 1 399.538 3.990 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCc2ccccc2C1 ZINC001160685228 1035036272 /nfs/dbraw/zinc/03/62/72/1035036272.db2.gz HKBJVCBOIAQKEM-XXBNENTESA-N 2 1 391.559 3.672 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@@H+]1CCc2ccccc2C1 ZINC001160685228 1035036284 /nfs/dbraw/zinc/03/62/84/1035036284.db2.gz HKBJVCBOIAQKEM-XXBNENTESA-N 2 1 391.559 3.672 20 0 GHADMP C[C@H](CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1)[N@H+]1CCc2ccccc2C1 ZINC001160685228 1035036290 /nfs/dbraw/zinc/03/62/90/1035036290.db2.gz HKBJVCBOIAQKEM-XXBNENTESA-N 2 1 391.559 3.672 20 0 GHADMP FC(F)(F)[C@@H]1C[NH2+]CC[C@H]1Nc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001160735324 1035048498 /nfs/dbraw/zinc/04/84/98/1035048498.db2.gz DOOVETCHYXGBGU-IEBWSBKVSA-N 2 1 390.453 3.592 20 0 GHADMP COc1ccccc1CCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001208838615 1035051239 /nfs/dbraw/zinc/05/12/39/1035051239.db2.gz MKBLJGIEHZLXDT-OAQYLSRUSA-N 2 1 398.547 3.976 20 0 GHADMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208906738 1035082163 /nfs/dbraw/zinc/08/21/63/1035082163.db2.gz VZZZLPBJMSCBDG-XMMPIXPASA-N 2 1 385.596 3.726 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208906738 1035082184 /nfs/dbraw/zinc/08/21/84/1035082184.db2.gz VZZZLPBJMSCBDG-XMMPIXPASA-N 2 1 385.596 3.726 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208906738 1035082193 /nfs/dbraw/zinc/08/21/93/1035082193.db2.gz VZZZLPBJMSCBDG-XMMPIXPASA-N 2 1 385.596 3.726 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](CC3CCN(c4ccccc4)CC3)C2)C1 ZINC001208906738 1035082204 /nfs/dbraw/zinc/08/22/04/1035082204.db2.gz VZZZLPBJMSCBDG-XMMPIXPASA-N 2 1 385.596 3.726 20 0 GHADMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(C(F)(F)F)n1 ZINC001232088838 1035087854 /nfs/dbraw/zinc/08/78/54/1035087854.db2.gz LCQCRWJIIGQGAK-MSOLQXFVSA-N 2 1 392.469 3.783 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(C(F)(F)F)n1 ZINC001232088838 1035087862 /nfs/dbraw/zinc/08/78/62/1035087862.db2.gz LCQCRWJIIGQGAK-MSOLQXFVSA-N 2 1 392.469 3.783 20 0 GHADMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(C(F)(F)F)n1 ZINC001232088838 1035087872 /nfs/dbraw/zinc/08/78/72/1035087872.db2.gz LCQCRWJIIGQGAK-MSOLQXFVSA-N 2 1 392.469 3.783 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)C2)cc1 ZINC001208930710 1035094093 /nfs/dbraw/zinc/09/40/93/1035094093.db2.gz CWPBCJMANPQVRG-VWLOTQADSA-N 3 1 399.623 3.723 20 0 GHADMP c1ccc(CN2CCC[C@@H](C[NH+]3CCC(COCC[NH+]4CCCC4)CC3)C2)cc1 ZINC001208930710 1035094100 /nfs/dbraw/zinc/09/41/00/1035094100.db2.gz CWPBCJMANPQVRG-VWLOTQADSA-N 2 1 399.623 3.723 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208931260 1035094784 /nfs/dbraw/zinc/09/47/84/1035094784.db2.gz IQRDXEIUXHDDKV-GUDVDZBRSA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208931260 1035094790 /nfs/dbraw/zinc/09/47/90/1035094790.db2.gz IQRDXEIUXHDDKV-GUDVDZBRSA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208931260 1035094797 /nfs/dbraw/zinc/09/47/97/1035094797.db2.gz IQRDXEIUXHDDKV-GUDVDZBRSA-N 2 1 388.449 3.626 20 0 GHADMP O[C@]1(C(F)(F)F)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC001208931260 1035094803 /nfs/dbraw/zinc/09/48/03/1035094803.db2.gz IQRDXEIUXHDDKV-GUDVDZBRSA-N 2 1 388.449 3.626 20 0 GHADMP COc1ccc(C[NH+]2CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208935464 1035102154 /nfs/dbraw/zinc/10/21/54/1035102154.db2.gz JWSJRIICICEGOG-XMMPIXPASA-N 2 1 393.575 3.725 20 0 GHADMP COc1ccc(C[NH+]2CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208935464 1035102157 /nfs/dbraw/zinc/10/21/57/1035102157.db2.gz JWSJRIICICEGOG-XMMPIXPASA-N 2 1 393.575 3.725 20 0 GHADMP c1csc(CC[NH+]2CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001208936310 1035103120 /nfs/dbraw/zinc/10/31/20/1035103120.db2.gz ODGPTIVPWDYBNY-JOCHJYFZSA-N 2 1 383.605 3.820 20 0 GHADMP COc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH+](Cc4ccccc4)C3)C2)nc1 ZINC001208938982 1035106067 /nfs/dbraw/zinc/10/60/67/1035106067.db2.gz AOVNZCWHGSEZQV-JTHBVZDNSA-N 2 1 395.547 3.846 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208938982 1035106068 /nfs/dbraw/zinc/10/60/68/1035106068.db2.gz AOVNZCWHGSEZQV-JTHBVZDNSA-N 2 1 395.547 3.846 20 0 GHADMP COc1ccc(O[C@@H]2CCC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC001208938982 1035106072 /nfs/dbraw/zinc/10/60/72/1035106072.db2.gz AOVNZCWHGSEZQV-JTHBVZDNSA-N 2 1 395.547 3.846 20 0 GHADMP CC(C)(C)OC(=O)N1CCC12CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208940387 1035109269 /nfs/dbraw/zinc/10/92/69/1035109269.db2.gz CEKQYWZUTRKBDW-OAQYLSRUSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208946719 1035117255 /nfs/dbraw/zinc/11/72/55/1035117255.db2.gz WEJSGVRVOVWUCV-JOCHJYFZSA-N 2 1 383.580 3.622 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208947879 1035118719 /nfs/dbraw/zinc/11/87/19/1035118719.db2.gz MZNRXCCLHAQCBJ-YFNKSVMNSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208947879 1035118726 /nfs/dbraw/zinc/11/87/26/1035118726.db2.gz MZNRXCCLHAQCBJ-YFNKSVMNSA-N 2 1 392.543 3.787 20 0 GHADMP COC(=O)[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC001208947879 1035118730 /nfs/dbraw/zinc/11/87/30/1035118730.db2.gz MZNRXCCLHAQCBJ-YFNKSVMNSA-N 2 1 392.543 3.787 20 0 GHADMP Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4cc(F)cc(C[NH+](C)C)c4)CC[N@H+]3C2)cc1 ZINC001232147156 1035125428 /nfs/dbraw/zinc/12/54/28/1035125428.db2.gz KFIHELHRXDWLMX-LADGPHEKSA-N 2 1 397.538 3.533 20 0 GHADMP O=C1C[C@@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953167 1035126109 /nfs/dbraw/zinc/12/61/09/1035126109.db2.gz YTSOBUPXSJKHHZ-NZQKXSOJSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953167 1035126114 /nfs/dbraw/zinc/12/61/14/1035126114.db2.gz YTSOBUPXSJKHHZ-NZQKXSOJSA-N 2 1 395.572 3.699 20 0 GHADMP O=C1C[C@@]2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CN1c1ccsc1 ZINC001208953167 1035126122 /nfs/dbraw/zinc/12/61/22/1035126122.db2.gz YTSOBUPXSJKHHZ-NZQKXSOJSA-N 2 1 395.572 3.699 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC001232148349 1035126637 /nfs/dbraw/zinc/12/66/37/1035126637.db2.gz BQTIHOVCPSMVEH-OAQYLSRUSA-N 2 1 379.520 3.624 20 0 GHADMP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)c1 ZINC001232150767 1035129083 /nfs/dbraw/zinc/12/90/83/1035129083.db2.gz UOODUQKXZDRERK-HSZRJFAPSA-N 2 1 399.485 3.655 20 0 GHADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc(C)cc4)C[C@H]3C2)c(C)c1 ZINC001232182903 1035150321 /nfs/dbraw/zinc/15/03/21/1035150321.db2.gz COYOEZYPQHXSLU-ZRZAMGCNSA-N 2 1 377.532 3.826 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3C2)c(C)c1 ZINC001232182903 1035150326 /nfs/dbraw/zinc/15/03/26/1035150326.db2.gz COYOEZYPQHXSLU-ZRZAMGCNSA-N 2 1 377.532 3.826 20 0 GHADMP CC(=O)Nc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3C2)c(C)c1 ZINC001232182903 1035150331 /nfs/dbraw/zinc/15/03/31/1035150331.db2.gz COYOEZYPQHXSLU-ZRZAMGCNSA-N 2 1 377.532 3.826 20 0 GHADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccnc3c(F)cccc13)C2 ZINC001232206851 1035161937 /nfs/dbraw/zinc/16/19/37/1035161937.db2.gz SXYQXPGJLAZDDG-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccnc3c(F)cccc13)C2 ZINC001232206851 1035161940 /nfs/dbraw/zinc/16/19/40/1035161940.db2.gz SXYQXPGJLAZDDG-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccnc3c(F)cccc13)C2 ZINC001232206851 1035161947 /nfs/dbraw/zinc/16/19/47/1035161947.db2.gz SXYQXPGJLAZDDG-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccnc3c(F)cccc13)C2 ZINC001232206851 1035161952 /nfs/dbraw/zinc/16/19/52/1035161952.db2.gz SXYQXPGJLAZDDG-CVDCTZTESA-N 2 1 383.511 3.554 20 0 GHADMP FC(F)(F)c1cccc(CC[N@H+]2CCc3onc(Cn4ccnc4)c3C2)c1 ZINC001209115956 1035180364 /nfs/dbraw/zinc/18/03/64/1035180364.db2.gz DRMCDWZUOPZQKF-UHFFFAOYSA-N 2 1 376.382 3.539 20 0 GHADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC001209144610 1035191844 /nfs/dbraw/zinc/19/18/44/1035191844.db2.gz HOXCAHZIYFOUQL-GMKZXUHWSA-N 2 1 391.559 3.792 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC001209144610 1035191848 /nfs/dbraw/zinc/19/18/48/1035191848.db2.gz HOXCAHZIYFOUQL-GMKZXUHWSA-N 2 1 391.559 3.792 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC001209144610 1035191852 /nfs/dbraw/zinc/19/18/52/1035191852.db2.gz HOXCAHZIYFOUQL-GMKZXUHWSA-N 2 1 391.559 3.792 20 0 GHADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)C[C@H]21 ZINC001209144610 1035191855 /nfs/dbraw/zinc/19/18/55/1035191855.db2.gz HOXCAHZIYFOUQL-GMKZXUHWSA-N 2 1 391.559 3.792 20 0 GHADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCCc1ccncc1)CC2 ZINC001209186844 1035204247 /nfs/dbraw/zinc/20/42/47/1035204247.db2.gz TUIBBKGPDLBBGV-HSZRJFAPSA-N 2 1 379.548 3.770 20 0 GHADMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](CCc1cccs1)CC2 ZINC001209223299 1035210614 /nfs/dbraw/zinc/21/06/14/1035210614.db2.gz WERGYMKOAJBVCC-KRWDZBQOSA-N 2 1 391.606 3.750 20 0 GHADMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](CCc1cccs1)CC2 ZINC001209223299 1035210617 /nfs/dbraw/zinc/21/06/17/1035210617.db2.gz WERGYMKOAJBVCC-KRWDZBQOSA-N 2 1 391.606 3.750 20 0 GHADMP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)C1 ZINC001161387603 1035219961 /nfs/dbraw/zinc/21/99/61/1035219961.db2.gz RNPAUUXBYWWOPY-XJKSGUPXSA-N 2 1 394.302 3.767 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H](Nc3ncnc4c3CC[NH2+]C4)[C@H](c3ccccc3)C2)cc1 ZINC001161456038 1035235000 /nfs/dbraw/zinc/23/50/00/1035235000.db2.gz FPSZAHWQPYKXHK-GOTSBHOMSA-N 2 1 399.542 3.593 20 0 GHADMP Clc1ccc(C[NH+]2CCCC2)c(NC2(Cc3ccccn3)CC[NH2+]CC2)n1 ZINC001161495068 1035241572 /nfs/dbraw/zinc/24/15/72/1035241572.db2.gz AMHNBILBHKLCLL-UHFFFAOYSA-N 2 1 385.943 3.503 20 0 GHADMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC1Cc3ccccc3C1)CC2 ZINC001209321967 1035242548 /nfs/dbraw/zinc/24/25/48/1035242548.db2.gz YKAMMUSNCBFUOS-DEOSSOPVSA-N 2 1 391.559 3.552 20 0 GHADMP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NCCCN1CC[NH+](C)CC1 ZINC001161710353 1035289239 /nfs/dbraw/zinc/28/92/39/1035289239.db2.gz DBFIXLGMIMHPJN-UHFFFAOYSA-N 2 1 386.506 3.597 20 0 GHADMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)c(F)c2)no1 ZINC001248194077 1035622877 /nfs/dbraw/zinc/62/28/77/1035622877.db2.gz FJSBNIWELSABHZ-LBPRGKRZSA-N 2 1 376.354 3.506 20 0 GHADMP C[NH+]1CCN(C(=O)c2cccc(-c3cccc(C[NH+]4CCCCC4)c3)c2)CC1 ZINC001241879142 1035737549 /nfs/dbraw/zinc/73/75/49/1035737549.db2.gz PSBNLWFLKHVAND-UHFFFAOYSA-N 2 1 377.532 3.727 20 0 GHADMP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)N(C(=O)OC(C)(C)C)CC4)C[C@H]2C1 ZINC001248743457 1036100998 /nfs/dbraw/zinc/10/09/98/1036100998.db2.gz WMMDITTXCOWYHY-WOJBJXKFSA-N 2 1 385.552 3.758 20 0 GHADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC001462078265 1069982789 /nfs/dbraw/zinc/98/27/89/1069982789.db2.gz BYJXTAJMZWLEPR-TVFCKZIOSA-N 2 1 386.527 3.986 20 0 GHADMP COc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(OC)c1Cl ZINC001248798048 1036168238 /nfs/dbraw/zinc/16/82/38/1036168238.db2.gz CFIUFYNDWWZQNU-UHFFFAOYSA-N 2 1 375.900 3.800 20 0 GHADMP [NH3+][C@H](CC1CC[NH2+]CC1)c1nc(-c2ccccc2OCc2ccccc2)no1 ZINC001248895534 1036226589 /nfs/dbraw/zinc/22/65/89/1036226589.db2.gz GTOBUKWIICNGJG-LJQANCHMSA-N 2 1 378.476 3.705 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001462122562 1070013470 /nfs/dbraw/zinc/01/34/70/1070013470.db2.gz MZBRYKARPDRHGP-HUVFLSCGSA-N 2 1 393.575 3.954 20 0 GHADMP CC(C)C[C@H]([NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1ccccc1F ZINC001245993250 1037114210 /nfs/dbraw/zinc/11/42/10/1037114210.db2.gz LPHNKPIGMZWZJU-PCCBWWKXSA-N 2 1 380.454 3.712 20 0 GHADMP O[C@H](COc1cccc2[nH]c3ccccc3c21)C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001246022286 1037141694 /nfs/dbraw/zinc/14/16/94/1037141694.db2.gz JFVLLQDXHBQLIL-UUOWRZLLSA-N 2 1 393.531 3.669 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H](O)COc2cccc3ccccc32)CC2CCC2)CC1 ZINC001246054682 1037169077 /nfs/dbraw/zinc/16/90/77/1037169077.db2.gz IDRDRSBKRSDMKT-YPAWHYETSA-N 2 1 382.548 3.952 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@H](O)COc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246065637 1037176960 /nfs/dbraw/zinc/17/69/60/1037176960.db2.gz IGLPJDBMDINAEI-VABKMULXSA-N 2 1 382.548 3.815 20 0 GHADMP Cc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246067891 1037181404 /nfs/dbraw/zinc/18/14/04/1037181404.db2.gz PUZYAFGRJKLEIT-VABKMULXSA-N 2 1 382.548 3.815 20 0 GHADMP Cc1ccccc1C[N@@H+](C[C@@H](O)COCc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246072398 1037188533 /nfs/dbraw/zinc/18/85/33/1037188533.db2.gz ZGWAVTIBYYOZPX-WXFUMESZSA-N 2 1 382.548 3.645 20 0 GHADMP CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246071960 1037188950 /nfs/dbraw/zinc/18/89/50/1037188950.db2.gz WENFHSLOEBUTPQ-JMJGKCIBSA-N 2 1 391.600 3.747 20 0 GHADMP c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[C@@H](N[C@@H]4CC[NH2+]C4)C[C@@H]23)cc1 ZINC001246113434 1037198896 /nfs/dbraw/zinc/19/88/96/1037198896.db2.gz APIKIQFTLVPESG-ZGFBMJKBSA-N 2 1 375.560 3.703 20 0 GHADMP COCOC1(c2ccc(Br)cc2)CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246110712 1037199228 /nfs/dbraw/zinc/19/92/28/1037199228.db2.gz OAPTUIUGIRNVGX-JLAWEPINSA-N 2 1 397.357 3.549 20 0 GHADMP Brc1ccc(C2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246184473 1037225795 /nfs/dbraw/zinc/22/57/95/1037225795.db2.gz MBMRSEUQBMGIJE-SFHVURJKSA-N 2 1 392.385 3.540 20 0 GHADMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccc(Cl)cc2)CC[NH2+]1 ZINC001246208997 1037240480 /nfs/dbraw/zinc/24/04/80/1037240480.db2.gz KSEBAFLJNDBKBF-DYXWJJEUSA-N 2 1 376.903 3.774 20 0 GHADMP COC[C@@H]([NH3+])C[NH2+]C1CCC([NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC001246240904 1037250067 /nfs/dbraw/zinc/25/00/67/1037250067.db2.gz PBRYACQHZZQYMJ-BOMBAVFCSA-N 3 1 381.564 3.563 20 0 GHADMP COC(=O)[C@@](C)([NH3+])Cc1cn(C2CCC3(CCC[NH2+]C3)CC2)c2ccccc12 ZINC001246236746 1037250812 /nfs/dbraw/zinc/25/08/12/1037250812.db2.gz APFUTZCMEMMWIA-PHBIXPCASA-N 2 1 383.536 3.559 20 0 GHADMP COC(=O)C[C@@H]([NH2+][C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(OCc2ccccc2)cc1 ZINC001246256476 1037256441 /nfs/dbraw/zinc/25/64/41/1037256441.db2.gz POAWKGGNDWFJTL-NNTZPNAXSA-N 2 1 396.531 3.988 20 0 GHADMP C[C@@H]1C[C@H](n2cc(C[C@H]([NH3+])C(=O)OCc3ccccc3)c3ccccc32)CC[NH2+]1 ZINC001246311086 1037290363 /nfs/dbraw/zinc/29/03/63/1037290363.db2.gz JQSWQPNQFIJJPV-ZNLUXHQJSA-N 2 1 391.515 3.568 20 0 GHADMP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC[NH2+]1 ZINC001246345385 1037306272 /nfs/dbraw/zinc/30/62/72/1037306272.db2.gz AJPWLMACWVIIJC-OPYAIIAOSA-N 2 1 379.976 3.614 20 0 GHADMP COc1cccc(C2(N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246414879 1037369108 /nfs/dbraw/zinc/36/91/08/1037369108.db2.gz JVRCQYVVTLLTSM-UGKGYDQZSA-N 2 1 379.548 3.527 20 0 GHADMP C[C@H]1C[C@H](NC2(Cc3ccccc3)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC001246455244 1037416391 /nfs/dbraw/zinc/41/63/91/1037416391.db2.gz HVBJOHIGDVABPZ-XUZZJYLKSA-N 2 1 377.576 3.994 20 0 GHADMP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)c3ccccc3)cc2)CC[NH2+]1 ZINC001246476936 1037426955 /nfs/dbraw/zinc/42/69/55/1037426955.db2.gz DTWJOEULDNMCDA-WIYYLYMNSA-N 2 1 386.561 3.776 20 0 GHADMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCC(O)(Cc3ccccc3)CC2)CC[NH2+]1 ZINC001246523105 1037454497 /nfs/dbraw/zinc/45/44/97/1037454497.db2.gz VVRWRJXOXNONPA-FYYLOGMGSA-N 2 1 382.523 3.997 20 0 GHADMP COc1cccc(C(=O)N2CCC([N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)CC2)c1 ZINC001246604241 1037499867 /nfs/dbraw/zinc/49/98/67/1037499867.db2.gz JXWXQBFOVGCPJJ-DEOSSOPVSA-N 2 1 399.579 3.546 20 0 GHADMP COc1ccc(Cl)c2c1C[C@@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246618577 1037509143 /nfs/dbraw/zinc/50/91/43/1037509143.db2.gz HMKBNWDKJNCIEQ-FXAWDEMLSA-N 2 1 382.935 3.895 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3c[nH]c4cc(Br)cnc34)CC2)C1 ZINC001278459152 1037518156 /nfs/dbraw/zinc/51/81/56/1037518156.db2.gz VBGDXWILDNHWJW-UHFFFAOYSA-N 2 1 377.330 3.633 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@H+](C1CCc3ccccc3CC1)C2 ZINC001246667648 1037534800 /nfs/dbraw/zinc/53/48/00/1037534800.db2.gz NZFHQNQMEJAFKQ-WIOPSUGQSA-N 2 1 396.575 3.579 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)CO2 ZINC001246672975 1037536636 /nfs/dbraw/zinc/53/66/36/1037536636.db2.gz NIHZKUSKGVIOOJ-UNWVZKJWSA-N 2 1 382.935 3.897 20 0 GHADMP Clc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)CO2 ZINC001246672975 1037536647 /nfs/dbraw/zinc/53/66/47/1037536647.db2.gz NIHZKUSKGVIOOJ-UNWVZKJWSA-N 2 1 382.935 3.897 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CC2 ZINC001246674039 1037541119 /nfs/dbraw/zinc/54/11/19/1037541119.db2.gz SKIXWVAOVCSGMQ-CGXDUYPBSA-N 2 1 382.548 3.578 20 0 GHADMP CCOC(=O)[C@@]12C[N@H+]([C@H](C)Cc3ccc(C(F)(F)F)cc3)C[C@@H]1CC[NH2+]CC2 ZINC001246683829 1037546081 /nfs/dbraw/zinc/54/60/81/1037546081.db2.gz URYWWMRJARENPS-BPAFIMBUSA-N 2 1 398.469 3.501 20 0 GHADMP CCOC(=O)[C@@H]1CC12CCC([N@H+]1CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C1)CC2 ZINC001246687108 1037548328 /nfs/dbraw/zinc/54/83/28/1037548328.db2.gz VABXQFHSVSEBHY-DBIFOVBNSA-N 2 1 396.575 3.752 20 0 GHADMP F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](C1CCC(C3CCC4(CC3)OCCO4)CC1)C2 ZINC001246690366 1037550014 /nfs/dbraw/zinc/55/00/14/1037550014.db2.gz KIJLMXPFAJSVLV-NLDTVIPQSA-N 2 1 380.548 3.502 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@H+]([C@@H]2CCC[C@]4(CC[NH2+]C4)C2)CC3)c1 ZINC001246696657 1037552733 /nfs/dbraw/zinc/55/27/33/1037552733.db2.gz RYBVHIABZSPMTM-XXBNENTESA-N 2 1 380.511 3.606 20 0 GHADMP COc1ccc(N2C[C@@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)cc1 ZINC001246698122 1037555657 /nfs/dbraw/zinc/55/56/57/1037555657.db2.gz WPVLRRUIWPZRAX-OFNKIYASSA-N 2 1 397.563 3.579 20 0 GHADMP O=C1N(c2ccsc2)CC[C@]12CC[N@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)C2 ZINC001246714657 1037568286 /nfs/dbraw/zinc/56/82/86/1037568286.db2.gz MYBTYNRZTDMKPJ-QTEQDKRBSA-N 2 1 395.572 3.540 20 0 GHADMP Fc1ccc(-c2ncnc3c2CC[N@H+]([C@H]2CCC4(C2)CC[NH2+]CC4)CC3)cc1 ZINC001246722767 1037573344 /nfs/dbraw/zinc/57/33/44/1037573344.db2.gz VCBOMFOMAKNJJI-IBGZPJMESA-N 2 1 380.511 3.606 20 0 GHADMP CC[C@@H]1CC([N@H+]2CCC[C@]3(CCC(=O)N3CC3CC3)[C@@H]2CC)C[C@@H](CC)[NH2+]1 ZINC001246725469 1037574536 /nfs/dbraw/zinc/57/45/36/1037574536.db2.gz MCMLXPFZFPATNX-URLVKDPJSA-N 2 1 375.601 3.941 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)CC[NH2+]1 ZINC001246723219 1037575780 /nfs/dbraw/zinc/57/57/80/1037575780.db2.gz WPMMCIYAASNVJZ-WOJBJXKFSA-N 2 1 382.527 3.994 20 0 GHADMP Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+]([C@@H]2CCC[C@]4(CC[NH2+]C4)C2)C3)c1 ZINC001246728603 1037577879 /nfs/dbraw/zinc/57/78/79/1037577879.db2.gz YYRUAEMFPMMUFZ-LWSSLDFYSA-N 2 1 383.580 3.931 20 0 GHADMP c1ccc(C[C@H]2C[C@H]([N@H+]3CCc4ncnc(-c5ccccc5)c4CC3)CC[NH2+]2)cc1 ZINC001246738008 1037582261 /nfs/dbraw/zinc/58/22/61/1037582261.db2.gz CQKGBBKDXLPQTG-XZOQPEGZSA-N 2 1 398.554 3.908 20 0 GHADMP CC[C@@H]1C[C@@H]([N@H+]2C[C@H](c3ccccc3)[C@]3(CCN(CC)C3=O)C2)C[C@H](CC)[NH2+]1 ZINC001246738794 1037582970 /nfs/dbraw/zinc/58/29/70/1037582970.db2.gz GPWZRZNBXQTAII-NBTNLBJRSA-N 2 1 383.580 3.634 20 0 GHADMP Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+]([C@H]1CCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246739080 1037583813 /nfs/dbraw/zinc/58/38/13/1037583813.db2.gz NHDVMVICXUVUDW-LADGPHEKSA-N 2 1 391.563 3.530 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@@H+]([C@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)c1 ZINC001246744134 1037585223 /nfs/dbraw/zinc/58/52/23/1037585223.db2.gz JNFKRLDIPWCGHF-UMXIMWEHSA-N 2 1 389.543 3.917 20 0 GHADMP Cc1cccc(N2C[C@]3(CC[N@H+]([C@H]4CC[NH2+][C@H](c5ccccc5)C4)C3)CC2=O)c1 ZINC001246744134 1037585243 /nfs/dbraw/zinc/58/52/43/1037585243.db2.gz JNFKRLDIPWCGHF-UMXIMWEHSA-N 2 1 389.543 3.917 20 0 GHADMP CCCC[C@@H]1C[C@@H]([NH+]2CCC3(CCOC[C@H]3COCC3CC3)CC2)CC[NH2+]1 ZINC001246743946 1037586120 /nfs/dbraw/zinc/58/61/20/1037586120.db2.gz ZNBYXGKGBMJSLM-BDTNDASRSA-N 2 1 378.601 3.843 20 0 GHADMP Cc1cccc(N2C[C@@]3(CC[N@H+]([C@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)c1 ZINC001246750152 1037591446 /nfs/dbraw/zinc/59/14/46/1037591446.db2.gz SVUKTNASVVPIFF-GMAHTHKFSA-N 2 1 381.564 3.879 20 0 GHADMP CCCC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)CC[NH2+]1 ZINC001246753093 1037593558 /nfs/dbraw/zinc/59/35/58/1037593558.db2.gz ATRNYZOKADCBNJ-OPYAIIAOSA-N 2 1 375.582 3.796 20 0 GHADMP O=C(C[C@@H]1CC2(CC[NH+]([C@@H]3CCCC[NH2+]C3)CC2)c2ccccc21)NC1CCC1 ZINC001246759144 1037601936 /nfs/dbraw/zinc/60/19/36/1037601936.db2.gz YAKKMYFOTPOKNB-TZIWHRDSSA-N 2 1 395.591 3.708 20 0 GHADMP Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)C3)CC2=O)s1 ZINC001246761140 1037604639 /nfs/dbraw/zinc/60/46/39/1037604639.db2.gz YYRLJIPAOYPXEJ-NQIIRXRSSA-N 2 1 387.593 3.940 20 0 GHADMP C(O[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC3(C1)CC[NH2+]CC3)C2)C1CCCC1 ZINC001246763677 1037607998 /nfs/dbraw/zinc/60/79/98/1037607998.db2.gz CIHUJUKOMMTAFL-FUPPJEDESA-N 2 1 376.585 3.739 20 0 GHADMP COc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246780120 1037620770 /nfs/dbraw/zinc/62/07/70/1037620770.db2.gz ALQOKBFISYOLGM-JTHBVZDNSA-N 2 1 397.538 3.754 20 0 GHADMP CC[C@@H]1C[C@H]([NH+]2CCN(c3cccc(Br)c3)CC2)C[C@H](CC)[NH2+]1 ZINC001246818567 1037650482 /nfs/dbraw/zinc/65/04/82/1037650482.db2.gz PQTBCQVQUUMWPD-DZFIZOCASA-N 2 1 380.374 3.880 20 0 GHADMP CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246822458 1037654653 /nfs/dbraw/zinc/65/46/53/1037654653.db2.gz BAPZZWSSIHDUFN-MNVIUDHYSA-N 2 1 384.564 3.792 20 0 GHADMP Brc1cccc([C@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)c1 ZINC001246850974 1037673369 /nfs/dbraw/zinc/67/33/69/1037673369.db2.gz WYZOJMNNJUDRPI-JLAWEPINSA-N 2 1 379.342 3.887 20 0 GHADMP COC(=O)c1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001246858279 1037679613 /nfs/dbraw/zinc/67/96/13/1037679613.db2.gz DSBCPYNLGRSILK-SFHVURJKSA-N 2 1 378.516 3.541 20 0 GHADMP CC(C)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C1CCC2(CC1)C[NH2+]CCO2 ZINC001246881121 1037697324 /nfs/dbraw/zinc/69/73/24/1037697324.db2.gz YAQTUWVAUIKVIV-NSQNTRMNSA-N 2 1 382.548 3.885 20 0 GHADMP Brc1ccc2c(c1)C[C@@H]([N@H+]1C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C1)CC2 ZINC001246881675 1037697704 /nfs/dbraw/zinc/69/77/04/1037697704.db2.gz VMTCTQPJYXNFJY-HJNYFJLDSA-N 2 1 397.360 3.779 20 0 GHADMP CCOC(=O)c1cc2cc(N3CC[NH+]([C@@H]4CC[NH2+][C@H](C(C)C)C4)CC3)ccc2o1 ZINC001246882557 1037699620 /nfs/dbraw/zinc/69/96/20/1037699620.db2.gz JQRZNQWHIHMBMB-UXHICEINSA-N 2 1 399.535 3.508 20 0 GHADMP CN(C(=O)NCC1(CC2CC2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001246908821 1037717910 /nfs/dbraw/zinc/71/79/10/1037717910.db2.gz LJYBEBAUDLTOTD-NHCUHLMSSA-N 2 1 390.616 3.545 20 0 GHADMP Cc1cc(Br)ccc1N1CC[NH+]([C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC001246906917 1037719412 /nfs/dbraw/zinc/71/94/12/1037719412.db2.gz CFVXBWCKFUFZHO-KRWDZBQOSA-N 2 1 378.358 3.554 20 0 GHADMP COc1cc(C[C@@H](C)[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc(OC)c1OC ZINC001246911307 1037720260 /nfs/dbraw/zinc/72/02/60/1037720260.db2.gz BJFDJSOPWBEYGH-GOSISDBHSA-N 2 1 398.547 3.898 20 0 GHADMP CC(C)(C)[C@H]1C[C@@H](N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246925059 1037731978 /nfs/dbraw/zinc/73/19/78/1037731978.db2.gz LHJSINMYSYMCMY-PKOBYXMFSA-N 2 1 399.501 3.870 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001246936016 1037739536 /nfs/dbraw/zinc/73/95/36/1037739536.db2.gz VYSRAWKOXAFMMR-QGZVFWFLSA-N 2 1 384.495 3.798 20 0 GHADMP COC(=O)c1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2F)C2CC[NH2+]CC2)cc1 ZINC001246936016 1037739557 /nfs/dbraw/zinc/73/95/57/1037739557.db2.gz VYSRAWKOXAFMMR-QGZVFWFLSA-N 2 1 384.495 3.798 20 0 GHADMP CC(=O)OC[C@@H]1CCC2(C1)CC[NH+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)CC2 ZINC001246941401 1037747205 /nfs/dbraw/zinc/74/72/05/1037747205.db2.gz KHKYLSOKWACTOS-XPWALMASSA-N 2 1 384.564 3.795 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N(Cc2ccncc2)[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC001246944005 1037748341 /nfs/dbraw/zinc/74/83/41/1037748341.db2.gz ADLZCFPKZAJIKO-ZFFYZDHPSA-N 2 1 390.575 3.831 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)C1 ZINC001246952821 1037757804 /nfs/dbraw/zinc/75/78/04/1037757804.db2.gz WYPANSNMKMJBFQ-UTKZUKDTSA-N 2 1 376.516 3.810 20 0 GHADMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)C1 ZINC001246953575 1037758777 /nfs/dbraw/zinc/75/87/77/1037758777.db2.gz BJDRWFIBXNCOFO-WMZOPIPTSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246956287 1037764258 /nfs/dbraw/zinc/76/42/58/1037764258.db2.gz RLFXHFYHXHMLLA-BEFAXECRSA-N 2 1 380.479 3.641 20 0 GHADMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2F)C2CC[NH2+]CC2)C1 ZINC001246956287 1037764278 /nfs/dbraw/zinc/76/42/78/1037764278.db2.gz RLFXHFYHXHMLLA-BEFAXECRSA-N 2 1 380.479 3.641 20 0 GHADMP Fc1ccc(CN(C2CC[NH2+]CC2)[C@@H]2CCC[N@H+](C3CCCC3)C2)c(F)c1 ZINC001246957089 1037766768 /nfs/dbraw/zinc/76/67/68/1037766768.db2.gz YIDRESSFHHPEQF-OAQYLSRUSA-N 2 1 377.523 3.926 20 0 GHADMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246957022 1037766967 /nfs/dbraw/zinc/76/69/67/1037766967.db2.gz WZKHAOASJSYNOK-QGZVFWFLSA-N 2 1 395.494 3.530 20 0 GHADMP Cc1ccc(CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246961216 1037781937 /nfs/dbraw/zinc/78/19/37/1037781937.db2.gz JLMPMFIIYHBNRQ-QHCPKHFHSA-N 2 1 381.539 3.963 20 0 GHADMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001246961292 1037782603 /nfs/dbraw/zinc/78/26/03/1037782603.db2.gz PTEYWBRFEFRRGS-GOSISDBHSA-N 3 1 379.564 3.899 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246962641 1037784955 /nfs/dbraw/zinc/78/49/55/1037784955.db2.gz JWHHGRLBLKTSLY-CVEARBPZSA-N 2 1 380.479 3.641 20 0 GHADMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2c(F)cccc2F)C2CC[NH2+]CC2)CC1 ZINC001246962641 1037784973 /nfs/dbraw/zinc/78/49/73/1037784973.db2.gz JWHHGRLBLKTSLY-CVEARBPZSA-N 2 1 380.479 3.641 20 0 GHADMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246974495 1037797051 /nfs/dbraw/zinc/79/70/51/1037797051.db2.gz BAKCZIIQQWEZRN-UNMCSNQZSA-N 3 1 382.527 3.889 20 0 GHADMP c1cnc(-c2ccc(N3CC[NH+]([C@@H]4CC[NH2+]C5(CCCCC5)C4)CC3)cc2)nc1 ZINC001246988795 1037812575 /nfs/dbraw/zinc/81/25/75/1037812575.db2.gz YIWYKODXGPWVKP-JOCHJYFZSA-N 2 1 391.563 3.721 20 0 GHADMP O=C(OCc1ccccc1)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246990772 1037815775 /nfs/dbraw/zinc/81/57/75/1037815775.db2.gz JBSIGZVVSGPDCK-SMIHKQSGSA-N 2 1 392.543 3.805 20 0 GHADMP C[C@H](CSc1ccc(Cl)cc1)[N@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001246994660 1037817294 /nfs/dbraw/zinc/81/72/94/1037817294.db2.gz QPRPCWBDJCPBRL-MRXNPFEDSA-N 2 1 382.017 3.969 20 0 GHADMP C[C@H](CSc1ccc(Cl)cc1)[N@@H+](C1CC[NH2+]CC1)C1CCN(C)CC1 ZINC001246994660 1037817302 /nfs/dbraw/zinc/81/73/02/1037817302.db2.gz QPRPCWBDJCPBRL-MRXNPFEDSA-N 2 1 382.017 3.969 20 0 GHADMP Brc1ccc(C[C@H]2CCC[N@H+]2C2CCC3(CC2)C[NH2+]CCO3)cc1 ZINC001247001523 1037825953 /nfs/dbraw/zinc/82/59/53/1037825953.db2.gz PIYPLJJKVVPYRE-IOJLRTSASA-N 2 1 393.369 3.757 20 0 GHADMP CSc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cn1 ZINC001232343252 1038121961 /nfs/dbraw/zinc/12/19/61/1038121961.db2.gz LTTCKVDLUVHJNZ-UHFFFAOYSA-N 2 1 397.588 3.979 20 0 GHADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001462237725 1070110095 /nfs/dbraw/zinc/11/00/95/1070110095.db2.gz ZHMVCOCZXDRMMW-HZEGPAAWSA-N 2 1 387.568 3.932 20 0 GHADMP CSc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232364764 1038143010 /nfs/dbraw/zinc/14/30/10/1038143010.db2.gz YMQUCOZSAASBPY-HXUWFJFHSA-N 2 1 382.577 3.892 20 0 GHADMP CCc1csc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001232470107 1038256431 /nfs/dbraw/zinc/25/64/31/1038256431.db2.gz RPIABHGSLIQDQF-FQEVSTJZSA-N 2 1 385.577 3.961 20 0 GHADMP CCc1csc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001232470107 1038256441 /nfs/dbraw/zinc/25/64/41/1038256441.db2.gz RPIABHGSLIQDQF-FQEVSTJZSA-N 2 1 385.577 3.961 20 0 GHADMP Cc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)cc1C(F)(F)F ZINC001247907378 1038480874 /nfs/dbraw/zinc/48/08/74/1038480874.db2.gz GUQNWLVDKLAAHH-UHFFFAOYSA-N 2 1 394.441 3.995 20 0 GHADMP Fc1ccc(C(F)(F)F)c(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c1 ZINC001247906599 1038481125 /nfs/dbraw/zinc/48/11/25/1038481125.db2.gz APARAIQKRGUPBW-UHFFFAOYSA-N 2 1 398.404 3.826 20 0 GHADMP Fc1cc(-c2noc([C@H]3C[C@]34CCC[NH2+]CC4)n2)ccc1[C@H]1CCc2c[nH+]cn21 ZINC001247924927 1038501681 /nfs/dbraw/zinc/50/16/81/1038501681.db2.gz INRZBAGSSBAIKO-SFGWALBWSA-N 2 1 393.466 3.855 20 0 GHADMP Clc1sccc1C[NH+]1CCC2(CC1)COCC[N@H+](Cc1cccnc1)C2 ZINC001233056856 1038818216 /nfs/dbraw/zinc/81/82/16/1038818216.db2.gz OOGDAUPOESCOQA-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP Clc1sccc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001233056856 1038818234 /nfs/dbraw/zinc/81/82/34/1038818234.db2.gz OOGDAUPOESCOQA-UHFFFAOYSA-N 2 1 391.968 3.911 20 0 GHADMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1NC(=O)OC(C)(C)C ZINC001233129741 1038913775 /nfs/dbraw/zinc/91/37/75/1038913775.db2.gz MBROYSHLNDIQCT-UHFFFAOYSA-N 2 1 389.540 3.960 20 0 GHADMP O[C@@H](COCc1ccco1)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001252646300 1039064085 /nfs/dbraw/zinc/06/40/85/1039064085.db2.gz ZEQPTINLIZKLNQ-JOCHJYFZSA-N 2 1 398.547 3.535 20 0 GHADMP Cc1cnsc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001233319731 1039112210 /nfs/dbraw/zinc/11/22/10/1039112210.db2.gz ZRZLMXZHJFBJCF-MRXNPFEDSA-N 2 1 377.579 3.769 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001252842182 1039200922 /nfs/dbraw/zinc/20/09/22/1039200922.db2.gz PKTSUGKNMNWOAG-JOCHJYFZSA-N 2 1 383.511 3.631 20 0 GHADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1N)CC2 ZINC001233379704 1039205664 /nfs/dbraw/zinc/20/56/64/1039205664.db2.gz OLWITDFZOZQQLL-UHFFFAOYSA-N 2 1 386.490 3.819 20 0 GHADMP COc1ccccc1C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252929932 1039265579 /nfs/dbraw/zinc/26/55/79/1039265579.db2.gz LLOBHFKXYMHXBA-XMMPIXPASA-N 2 1 380.532 3.512 20 0 GHADMP COc1ccccc1C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252929932 1039265590 /nfs/dbraw/zinc/26/55/90/1039265590.db2.gz LLOBHFKXYMHXBA-XMMPIXPASA-N 2 1 380.532 3.512 20 0 GHADMP O[C@@]1(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252929002 1039267173 /nfs/dbraw/zinc/26/71/73/1039267173.db2.gz RKDBYEOERMGYAW-RUZDIDTESA-N 2 1 389.543 3.984 20 0 GHADMP O[C@@]1(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252929002 1039267182 /nfs/dbraw/zinc/26/71/82/1039267182.db2.gz RKDBYEOERMGYAW-RUZDIDTESA-N 2 1 389.543 3.984 20 0 GHADMP O[C@@]1(CNc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252942015 1039285483 /nfs/dbraw/zinc/28/54/83/1039285483.db2.gz MSOIIBDNLBTGNC-RUZDIDTESA-N 2 1 393.575 3.764 20 0 GHADMP O[C@@]1(C[NH2+]CCc2cc(C(F)(F)F)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC001252948050 1039291594 /nfs/dbraw/zinc/29/15/94/1039291594.db2.gz IYMYUAICWFKNPF-HXUWFJFHSA-N 2 1 396.428 3.614 20 0 GHADMP O[C@@]1(C[NH2+]CCc2cc(C(F)(F)F)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948050 1039291596 /nfs/dbraw/zinc/29/15/96/1039291596.db2.gz IYMYUAICWFKNPF-HXUWFJFHSA-N 2 1 396.428 3.614 20 0 GHADMP Brc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c[nH]1 ZINC001233436128 1039315529 /nfs/dbraw/zinc/31/55/29/1039315529.db2.gz AIVNKDVEVNTAJG-UHFFFAOYSA-N 2 1 378.314 3.858 20 0 GHADMP CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCC2 ZINC001233509968 1039400822 /nfs/dbraw/zinc/40/08/22/1039400822.db2.gz NBBGBGBCOKBWAL-PGRDOPGGSA-N 2 1 388.600 3.759 20 0 GHADMP CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCC2 ZINC001233509968 1039400827 /nfs/dbraw/zinc/40/08/27/1039400827.db2.gz NBBGBGBCOKBWAL-PGRDOPGGSA-N 2 1 388.600 3.759 20 0 GHADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCCC3)C2)CC1 ZINC001253141295 1039444779 /nfs/dbraw/zinc/44/47/79/1039444779.db2.gz BHPLWNTYXPZVIA-RBBKRZOGSA-N 2 1 390.616 3.547 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CCOCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001253291601 1039539202 /nfs/dbraw/zinc/53/92/02/1039539202.db2.gz LPZIUAVFQUHTKA-FGCOXFRFSA-N 2 1 382.548 3.597 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CCOCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001253291601 1039539216 /nfs/dbraw/zinc/53/92/16/1039539216.db2.gz LPZIUAVFQUHTKA-FGCOXFRFSA-N 2 1 382.548 3.597 20 0 GHADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC001253822288 1039827854 /nfs/dbraw/zinc/82/78/54/1039827854.db2.gz HKAYKXPOIPZFND-REWPJTCUSA-N 2 1 398.547 3.704 20 0 GHADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1CCCCC1 ZINC001462406945 1070231897 /nfs/dbraw/zinc/23/18/97/1070231897.db2.gz DHYLYXHARYGJJR-UYAOXDASSA-N 2 1 397.604 3.645 20 0 GHADMP OC1(C[N@@H+](Cc2ccccc2)C2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254038448 1039969229 /nfs/dbraw/zinc/96/92/29/1039969229.db2.gz IHWOGUKAWNKVTP-UHFFFAOYSA-N 2 1 394.559 3.695 20 0 GHADMP CCC[C@@H](CCc1ccccc1)N(c1[nH+]ccn1C)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001254493372 1040279661 /nfs/dbraw/zinc/27/96/61/1040279661.db2.gz LBWJARUQSVGZRT-VXKWHMMOSA-N 2 1 396.579 3.939 20 0 GHADMP C[N@H+]1CCC[C@@H]([NH2+]CC2(c3ccccc3Br)CCOCC2)CC1 ZINC001254507331 1040286061 /nfs/dbraw/zinc/28/60/61/1040286061.db2.gz AUDILOQBVSEARY-MRXNPFEDSA-N 2 1 381.358 3.571 20 0 GHADMP CCOC(=O)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c[nH]1 ZINC001234947927 1040449944 /nfs/dbraw/zinc/44/99/44/1040449944.db2.gz YLQBZQUUJPLUOO-UHFFFAOYSA-N 2 1 387.549 3.741 20 0 GHADMP Clc1cc(Cl)cc(-c2ccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cc2)c1 ZINC001234986944 1040483477 /nfs/dbraw/zinc/48/34/77/1040483477.db2.gz LOZBYLMONWZDEW-FQEVSTJZSA-N 2 1 376.331 3.798 20 0 GHADMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccc(-c3cc(Cl)cc(Cl)c3)cc1)C2 ZINC001235003459 1040497111 /nfs/dbraw/zinc/49/71/11/1040497111.db2.gz YKGRRYVLXOZXLU-XLIONFOSSA-N 2 1 377.315 3.674 20 0 GHADMP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccc(-c3cc(Cl)cc(Cl)c3)cc1)C2 ZINC001235003459 1040497112 /nfs/dbraw/zinc/49/71/12/1040497112.db2.gz YKGRRYVLXOZXLU-XLIONFOSSA-N 2 1 377.315 3.674 20 0 GHADMP Cc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1-c1ccccc1 ZINC001235017925 1040505237 /nfs/dbraw/zinc/50/52/37/1040505237.db2.gz WFSBPYPENBXARM-FQEVSTJZSA-N 2 1 396.579 3.733 20 0 GHADMP Cc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1-c1ccccc1 ZINC001235017925 1040505258 /nfs/dbraw/zinc/50/52/58/1040505258.db2.gz WFSBPYPENBXARM-FQEVSTJZSA-N 2 1 396.579 3.733 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc3c(c1)CCCN3)CC2 ZINC001235019541 1040509353 /nfs/dbraw/zinc/50/93/53/1040509353.db2.gz NXPUHUPJNDMDOV-UHFFFAOYSA-N 2 1 377.532 3.690 20 0 GHADMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc3c(c1)CCCN3)CC2 ZINC001235019541 1040509367 /nfs/dbraw/zinc/50/93/67/1040509367.db2.gz NXPUHUPJNDMDOV-UHFFFAOYSA-N 2 1 377.532 3.690 20 0 GHADMP CC[N@@H+](C)C1CC[NH+]([C@H]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC001254752526 1040512812 /nfs/dbraw/zinc/51/28/12/1040512812.db2.gz FIGDSCSYHAXUPA-IBGZPJMESA-N 2 1 379.589 3.972 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235022279 1040513933 /nfs/dbraw/zinc/51/39/33/1040513933.db2.gz NBXVPWQNISLJRY-HSZRJFAPSA-N 2 1 383.511 3.796 20 0 GHADMP CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235022279 1040513952 /nfs/dbraw/zinc/51/39/52/1040513952.db2.gz NBXVPWQNISLJRY-HSZRJFAPSA-N 2 1 383.511 3.796 20 0 GHADMP COc1cc(F)ccc1-c1cccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235022240 1040514698 /nfs/dbraw/zinc/51/46/98/1040514698.db2.gz MPVSOPNQDKWBFG-HSZRJFAPSA-N 2 1 384.495 3.703 20 0 GHADMP COc1cc(F)ccc1-c1cccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c1 ZINC001235022240 1040514710 /nfs/dbraw/zinc/51/47/10/1040514710.db2.gz MPVSOPNQDKWBFG-HSZRJFAPSA-N 2 1 384.495 3.703 20 0 GHADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793963 1040554038 /nfs/dbraw/zinc/55/40/38/1040554038.db2.gz UATSUGMYOSYLEZ-HKUYNNGSSA-N 2 1 379.589 3.876 20 0 GHADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254793963 1040554055 /nfs/dbraw/zinc/55/40/55/1040554055.db2.gz UATSUGMYOSYLEZ-HKUYNNGSSA-N 2 1 379.589 3.876 20 0 GHADMP FC(F)Oc1ccc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC001235093109 1040583751 /nfs/dbraw/zinc/58/37/51/1040583751.db2.gz OZXDLBUZBQOKNE-UHFFFAOYSA-N 2 1 375.257 3.626 20 0 GHADMP c1[nH]c2ccc(OCc3ccccc3)cc2c1C[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235117282 1040608244 /nfs/dbraw/zinc/60/82/44/1040608244.db2.gz ZVJGARAPAHKTII-DEOSSOPVSA-N 2 1 391.515 3.701 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001254882166 1040633105 /nfs/dbraw/zinc/63/31/05/1040633105.db2.gz IRRMSXRZHJHNMZ-VTYHHJSWSA-N 2 1 399.579 3.886 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCCC23CC[NH2+]CC3)cc1 ZINC001235143334 1040639709 /nfs/dbraw/zinc/63/97/09/1040639709.db2.gz BGQCKSRGBURWIF-UHFFFAOYSA-N 2 1 394.515 3.770 20 0 GHADMP COc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(OC)cc1Br ZINC001235154553 1040649453 /nfs/dbraw/zinc/64/94/53/1040649453.db2.gz MJWRMCBMIXVJTI-QGZVFWFLSA-N 2 1 397.357 3.820 20 0 GHADMP [NH3+]Cc1cc(-c2ccccc2)nn1C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001254993122 1040714116 /nfs/dbraw/zinc/71/41/16/1040714116.db2.gz IZTITJMXMCFRGC-BRTIRZTQSA-N 2 1 388.515 3.613 20 0 GHADMP [NH3+]Cc1cc(-c2ccccc2)nn1C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001254993122 1040714130 /nfs/dbraw/zinc/71/41/30/1040714130.db2.gz IZTITJMXMCFRGC-BRTIRZTQSA-N 2 1 388.515 3.613 20 0 GHADMP CCOc1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(Br)cn1 ZINC001235238008 1040716872 /nfs/dbraw/zinc/71/68/72/1040716872.db2.gz OLSNWOPXFQEYKD-KRWDZBQOSA-N 2 1 382.346 3.597 20 0 GHADMP COC(=O)c1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1Br ZINC001235238887 1040719880 /nfs/dbraw/zinc/71/98/80/1040719880.db2.gz FKQAOZQNLCFIKJ-GOSISDBHSA-N 2 1 395.341 3.590 20 0 GHADMP CN1CC([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255070140 1040765025 /nfs/dbraw/zinc/76/50/25/1040765025.db2.gz SRYNMYLYVGNCLD-QLBJFCOMSA-N 2 1 375.560 3.655 20 0 GHADMP CN1CC([NH2+][C@@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255070140 1040765038 /nfs/dbraw/zinc/76/50/38/1040765038.db2.gz SRYNMYLYVGNCLD-QLBJFCOMSA-N 2 1 375.560 3.655 20 0 GHADMP CC1([NH3+])CN([C@H]2CC[C@]3(c4ccccc4)CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC001255074808 1040767653 /nfs/dbraw/zinc/76/76/53/1040767653.db2.gz DPLASRCIEGSWMZ-JBRSBNLGSA-N 2 1 375.560 3.784 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](Cc1ccccc1SC)C2 ZINC001235321633 1040792529 /nfs/dbraw/zinc/79/25/29/1040792529.db2.gz QBPOEUYYRCYMDN-SIKLNZKXSA-N 2 1 388.577 3.553 20 0 GHADMP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1C[N@@H+](CC[C@H](C)c1ccc(C)o1)C2 ZINC001235326313 1040795649 /nfs/dbraw/zinc/79/56/49/1040795649.db2.gz VXDUSCDIWVNBIR-KPDCDPCYSA-N 2 1 388.552 3.727 20 0 GHADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001255131108 1040826337 /nfs/dbraw/zinc/82/63/37/1040826337.db2.gz YEWGBDWRLIPJMW-ULPXVVAUSA-N 3 1 376.548 3.836 20 0 GHADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC001255131108 1040826353 /nfs/dbraw/zinc/82/63/53/1040826353.db2.gz YEWGBDWRLIPJMW-ULPXVVAUSA-N 2 1 376.548 3.836 20 0 GHADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001255131759 1040828003 /nfs/dbraw/zinc/82/80/03/1040828003.db2.gz QFEMCGKHIUXDKQ-LKTXNROYSA-N 2 1 380.532 3.520 20 0 GHADMP COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC001255131759 1040828012 /nfs/dbraw/zinc/82/80/12/1040828012.db2.gz QFEMCGKHIUXDKQ-LKTXNROYSA-N 2 1 380.532 3.520 20 0 GHADMP CC(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255133282 1040831584 /nfs/dbraw/zinc/83/15/84/1040831584.db2.gz RLPYBPUMZGIGBV-GOAPXITPSA-N 2 1 383.580 3.855 20 0 GHADMP O[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001255135487 1040835966 /nfs/dbraw/zinc/83/59/66/1040835966.db2.gz CAIACSIDHKWPRU-YRPNKDGESA-N 2 1 382.470 3.961 20 0 GHADMP O[C@@]1(C(F)(F)F)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255135487 1040835990 /nfs/dbraw/zinc/83/59/90/1040835990.db2.gz CAIACSIDHKWPRU-YRPNKDGESA-N 2 1 382.470 3.961 20 0 GHADMP O[C@@]1(C(F)(F)F)CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135487 1040835998 /nfs/dbraw/zinc/83/59/98/1040835998.db2.gz CAIACSIDHKWPRU-YRPNKDGESA-N 2 1 382.470 3.961 20 0 GHADMP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136441 1040840847 /nfs/dbraw/zinc/84/08/47/1040840847.db2.gz LBQBPHYPBHPYOG-XIKSMUEASA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136441 1040840857 /nfs/dbraw/zinc/84/08/57/1040840857.db2.gz LBQBPHYPBHPYOG-XIKSMUEASA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136441 1040840865 /nfs/dbraw/zinc/84/08/65/1040840865.db2.gz LBQBPHYPBHPYOG-XIKSMUEASA-N 2 1 382.470 3.817 20 0 GHADMP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[C@]1(O)C(F)(F)F ZINC001255136441 1040840878 /nfs/dbraw/zinc/84/08/78/1040840878.db2.gz LBQBPHYPBHPYOG-XIKSMUEASA-N 2 1 382.470 3.817 20 0 GHADMP CC[NH+](CC)CCCN1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255142256 1040850408 /nfs/dbraw/zinc/85/04/08/1040850408.db2.gz AWSXWIBNLVLJJB-LNWKWYTESA-N 3 1 398.639 3.532 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC001255144486 1040857309 /nfs/dbraw/zinc/85/73/09/1040857309.db2.gz UFXIDKICWFOKSD-KNAFXUBQSA-N 2 1 395.591 3.905 20 0 GHADMP CC(C)C(=O)N1CCC[C@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001255144486 1040857312 /nfs/dbraw/zinc/85/73/12/1040857312.db2.gz UFXIDKICWFOKSD-KNAFXUBQSA-N 2 1 395.591 3.905 20 0 GHADMP CC(C)N1CC2(CC1=O)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255148952 1040863681 /nfs/dbraw/zinc/86/36/81/1040863681.db2.gz DOYBAOFYENARMV-NUNAXRQHSA-N 2 1 395.591 3.905 20 0 GHADMP Cc1ccc(OCc2ccccc2)c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)c1 ZINC001235368364 1040867319 /nfs/dbraw/zinc/86/73/19/1040867319.db2.gz MWIUVMKXBAQBDZ-CQOQZXRMSA-N 2 1 378.516 3.527 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C[C@H]21 ZINC001255149521 1040867453 /nfs/dbraw/zinc/86/74/53/1040867453.db2.gz IMCPDKWSPYSNSA-BIRZXAFVSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C[C@H]21 ZINC001255149521 1040867458 /nfs/dbraw/zinc/86/74/58/1040867458.db2.gz IMCPDKWSPYSNSA-BIRZXAFVSA-N 2 1 397.563 3.733 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C[C@H]21 ZINC001255149521 1040867463 /nfs/dbraw/zinc/86/74/63/1040867463.db2.gz IMCPDKWSPYSNSA-BIRZXAFVSA-N 2 1 397.563 3.733 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)ncn1 ZINC001255151197 1040870667 /nfs/dbraw/zinc/87/06/67/1040870667.db2.gz SZEAOKXJFSLPQE-ZBYYUNFXSA-N 2 1 392.547 3.824 20 0 GHADMP Cn1c2ccccc2c(C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)c1-c1ccccc1 ZINC001235370682 1040874434 /nfs/dbraw/zinc/87/44/34/1040874434.db2.gz VXCZEHPBZGNBDE-WZOHSFFVSA-N 2 1 387.527 3.798 20 0 GHADMP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc(C)c1OCCO ZINC001235376432 1040885226 /nfs/dbraw/zinc/88/52/26/1040885226.db2.gz RKJPFHIJJCGKCW-QFIPXVFZSA-N 2 1 382.548 3.628 20 0 GHADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(C)c1OCCO ZINC001235376432 1040885243 /nfs/dbraw/zinc/88/52/43/1040885243.db2.gz RKJPFHIJJCGKCW-QFIPXVFZSA-N 2 1 382.548 3.628 20 0 GHADMP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)c1OCCO ZINC001235376432 1040885270 /nfs/dbraw/zinc/88/52/70/1040885270.db2.gz RKJPFHIJJCGKCW-QFIPXVFZSA-N 2 1 382.548 3.628 20 0 GHADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cc1 ZINC001235380789 1040901259 /nfs/dbraw/zinc/90/12/59/1040901259.db2.gz OYIHLVUSWUGPGG-GGAORHGYSA-N 2 1 376.479 3.795 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)C2 ZINC001255229122 1040917515 /nfs/dbraw/zinc/91/75/15/1040917515.db2.gz KKAANJABRJIHSE-LFGUQSLTSA-N 2 1 377.573 3.914 20 0 GHADMP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC001255229122 1040917519 /nfs/dbraw/zinc/91/75/19/1040917519.db2.gz KKAANJABRJIHSE-LFGUQSLTSA-N 2 1 377.573 3.914 20 0 GHADMP Cc1ccc(I)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235428147 1040929624 /nfs/dbraw/zinc/92/96/24/1040929624.db2.gz PACUPKKDSOSQMH-HZPDHXFCSA-N 2 1 398.332 3.811 20 0 GHADMP Ic1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235427859 1040930420 /nfs/dbraw/zinc/93/04/20/1040930420.db2.gz UDNKSDDUJMSEIF-JKSUJKDBSA-N 2 1 384.305 3.503 20 0 GHADMP CCOC(=O)C1CCC([N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001255266416 1040934618 /nfs/dbraw/zinc/93/46/18/1040934618.db2.gz MATIGBPPJAKTLT-YGZJECHCSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001255266416 1040934639 /nfs/dbraw/zinc/93/46/39/1040934639.db2.gz MATIGBPPJAKTLT-YGZJECHCSA-N 2 1 384.564 3.952 20 0 GHADMP CCOC(=O)C1CCC([NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC001255266416 1040934641 /nfs/dbraw/zinc/93/46/41/1040934641.db2.gz MATIGBPPJAKTLT-YGZJECHCSA-N 2 1 384.564 3.952 20 0 GHADMP Fc1cccc(-c2ncnc3c2CC[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)CC3)c1 ZINC001235482802 1040956229 /nfs/dbraw/zinc/95/62/29/1040956229.db2.gz NRIHSHGAVUOYHF-UHFFFAOYSA-N 2 1 388.490 3.529 20 0 GHADMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cncc(F)c1Cl)CC2 ZINC001235500337 1040964112 /nfs/dbraw/zinc/96/41/12/1040964112.db2.gz ZFPGHYWBVFUEEU-MRXNPFEDSA-N 2 1 393.890 3.723 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC001255384277 1040974053 /nfs/dbraw/zinc/97/40/53/1040974053.db2.gz XEQMGOAOUXHONA-RUZDIDTESA-N 2 1 393.575 3.663 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3ccc(OC4CCOCC4)nc3)CC2)cc1 ZINC001255385987 1040974849 /nfs/dbraw/zinc/97/48/49/1040974849.db2.gz KKSKBHLLWFFMIM-QFIPXVFZSA-N 2 1 395.547 3.784 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccc(OC4CCOCC4)nc3)CC2)cc1 ZINC001255385987 1040974851 /nfs/dbraw/zinc/97/48/51/1040974851.db2.gz KKSKBHLLWFFMIM-QFIPXVFZSA-N 2 1 395.547 3.784 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC2)cc1 ZINC001255391789 1040980154 /nfs/dbraw/zinc/98/01/54/1040980154.db2.gz UAGZBFCGWOZPEY-QHCPKHFHSA-N 3 1 385.596 3.522 20 0 GHADMP c1ccc(CN2CCC[C@H]([NH2+]CC3CC[NH+](C4CCOCC4)CC3)CC2)cc1 ZINC001255391789 1040980155 /nfs/dbraw/zinc/98/01/55/1040980155.db2.gz UAGZBFCGWOZPEY-QHCPKHFHSA-N 2 1 385.596 3.522 20 0 GHADMP O=C(C1CCC1)N1CCC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255391939 1040980199 /nfs/dbraw/zinc/98/01/99/1040980199.db2.gz VXWHJBDKCOKXHV-QHCPKHFHSA-N 2 1 383.580 3.669 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H](N3CCC[NH+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985352 /nfs/dbraw/zinc/98/53/52/1040985352.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](N3CCC[N@H+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985355 /nfs/dbraw/zinc/98/53/55/1040985355.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H](N3CCC[N@@H+](Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985356 /nfs/dbraw/zinc/98/53/56/1040985356.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]([N@@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985357 /nfs/dbraw/zinc/98/53/57/1040985357.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[NH+]2CCC[C@@H]([N@H+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985358 /nfs/dbraw/zinc/98/53/58/1040985358.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985359 /nfs/dbraw/zinc/98/53/59/1040985359.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCN(Cc4ccncc4)CC3)CC2)cc1 ZINC001255399502 1040985367 /nfs/dbraw/zinc/98/53/67/1040985367.db2.gz SXPODVWCBIBQFZ-XMMPIXPASA-N 2 1 378.564 3.644 20 0 GHADMP CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@H]3CCC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001255401189 1040987502 /nfs/dbraw/zinc/98/75/02/1040987502.db2.gz ROTPEPDGLWUEKG-DQEYMECFSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255401189 1040987512 /nfs/dbraw/zinc/98/75/12/1040987512.db2.gz ROTPEPDGLWUEKG-DQEYMECFSA-N 3 1 399.623 3.864 20 0 GHADMP CC(C)[NH+]1CCOC[C@@]2(CCCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)C1 ZINC001255401189 1040987519 /nfs/dbraw/zinc/98/75/19/1040987519.db2.gz ROTPEPDGLWUEKG-DQEYMECFSA-N 3 1 399.623 3.864 20 0 GHADMP c1ccc(C[NH+]2CCC[C@H]([N@H+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402473 1040988598 /nfs/dbraw/zinc/98/85/98/1040988598.db2.gz JLSUZGKTJGDWSF-KMDXXIMOSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@H+]2CCC[C@H]([NH+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402473 1040988599 /nfs/dbraw/zinc/98/85/99/1040988599.db2.gz JLSUZGKTJGDWSF-KMDXXIMOSA-N 2 1 384.564 3.701 20 0 GHADMP c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CC[C@@]4(C[C@H](OCC5CC5)CO4)C3)CC2)cc1 ZINC001255402473 1040988600 /nfs/dbraw/zinc/98/86/00/1040988600.db2.gz JLSUZGKTJGDWSF-KMDXXIMOSA-N 2 1 384.564 3.701 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255402557 1040990224 /nfs/dbraw/zinc/99/02/24/1040990224.db2.gz PAXPGJPXYYBALQ-VXNXHJTFSA-N 2 1 386.580 3.949 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255402557 1040990225 /nfs/dbraw/zinc/99/02/25/1040990225.db2.gz PAXPGJPXYYBALQ-VXNXHJTFSA-N 2 1 386.580 3.949 20 0 GHADMP COCC[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255402557 1040990226 /nfs/dbraw/zinc/99/02/26/1040990226.db2.gz PAXPGJPXYYBALQ-VXNXHJTFSA-N 2 1 386.580 3.949 20 0 GHADMP Cc1cc(OC2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)ncn1 ZINC001255409114 1040996646 /nfs/dbraw/zinc/99/66/46/1040996646.db2.gz GEXUHDQNXIYGRM-NRFANRHFSA-N 2 1 380.536 3.683 20 0 GHADMP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)O1 ZINC001235594538 1041003489 /nfs/dbraw/zinc/00/34/89/1041003489.db2.gz VJRXKTSOPZZMJJ-NRFANRHFSA-N 2 1 377.532 3.753 20 0 GHADMP Fc1cccc(CN2CC[C@]23CCC[N@@H+](Cc2cc4c(s2)CC[NH2+]C4)C3)c1 ZINC001235628212 1041059347 /nfs/dbraw/zinc/05/93/47/1041059347.db2.gz GYWWANJCHGCREN-QFIPXVFZSA-N 2 1 385.552 3.773 20 0 GHADMP COC1CCC([N@H+]2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)CC1 ZINC001255462496 1041064416 /nfs/dbraw/zinc/06/44/16/1041064416.db2.gz YOJDCKSEABPAPY-MHJFOBGBSA-N 2 1 379.495 3.572 20 0 GHADMP COC1CCC(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001255462496 1041064425 /nfs/dbraw/zinc/06/44/25/1041064425.db2.gz YOJDCKSEABPAPY-MHJFOBGBSA-N 2 1 379.495 3.572 20 0 GHADMP COC1CCC(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)CC1 ZINC001255462496 1041064438 /nfs/dbraw/zinc/06/44/38/1041064438.db2.gz YOJDCKSEABPAPY-MHJFOBGBSA-N 2 1 379.495 3.572 20 0 GHADMP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCC(C(C)(C)C)CC1)CCC2 ZINC001255502635 1041097097 /nfs/dbraw/zinc/09/70/97/1041097097.db2.gz JRENNVSKYPJASK-UHFFFAOYSA-N 2 1 388.600 3.896 20 0 GHADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C2CCC(C(C)(C)C)CC2)CC1 ZINC001255503722 1041097483 /nfs/dbraw/zinc/09/74/83/1041097483.db2.gz XFTKCZBBRZVEIH-LIKPIUCQSA-N 2 1 389.628 3.998 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255609267 1041164407 /nfs/dbraw/zinc/16/44/07/1041164407.db2.gz SHISNKSNQDQUJM-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001255609267 1041164413 /nfs/dbraw/zinc/16/44/13/1041164413.db2.gz SHISNKSNQDQUJM-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001255609267 1041164425 /nfs/dbraw/zinc/16/44/25/1041164425.db2.gz SHISNKSNQDQUJM-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001255609267 1041164430 /nfs/dbraw/zinc/16/44/30/1041164430.db2.gz SHISNKSNQDQUJM-ZJSXRUAMSA-N 2 1 399.579 3.984 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)C1=O ZINC001255678141 1041210578 /nfs/dbraw/zinc/21/05/78/1041210578.db2.gz AUVOQPYIWOTNQB-NNYGOGDTSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)C1=O ZINC001255678141 1041210596 /nfs/dbraw/zinc/21/05/96/1041210596.db2.gz AUVOQPYIWOTNQB-NNYGOGDTSA-N 2 1 381.564 3.648 20 0 GHADMP CC(C)CN1c2ccccc2[C@]2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)C1=O ZINC001255678141 1041210609 /nfs/dbraw/zinc/21/06/09/1041210609.db2.gz AUVOQPYIWOTNQB-NNYGOGDTSA-N 2 1 381.564 3.648 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235789702 1041280275 /nfs/dbraw/zinc/28/02/75/1041280275.db2.gz FFCBCUAARWQJCO-SFHVURJKSA-N 2 1 390.984 3.718 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235789702 1041280291 /nfs/dbraw/zinc/28/02/91/1041280291.db2.gz FFCBCUAARWQJCO-SFHVURJKSA-N 2 1 390.984 3.718 20 0 GHADMP CC[NH+]1CCC(CC2CC[NH+]([C@@H](C)CS(=O)(=O)c3ccccc3)CC2)CC1 ZINC001255827739 1041325440 /nfs/dbraw/zinc/32/54/40/1041325440.db2.gz WMESVJCVKSAULX-IBGZPJMESA-N 2 1 392.609 3.683 20 0 GHADMP FC(F)(F)Oc1ccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]CC[C@@H]4C3)cn2)cc1 ZINC001235938587 1041443416 /nfs/dbraw/zinc/44/34/16/1041443416.db2.gz LLYZZCCIIXPUCG-IAGOWNOFSA-N 2 1 377.410 3.689 20 0 GHADMP CC[NH+](CC)CC[C@@H](C)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001255963625 1041444021 /nfs/dbraw/zinc/44/40/21/1041444021.db2.gz SBBDSPBHNAMOAZ-CTNGQTDRSA-N 2 1 394.554 3.735 20 0 GHADMP COCC[N@H+](Cc1ccc(Br)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235942524 1041448290 /nfs/dbraw/zinc/44/82/90/1041448290.db2.gz DTGDLOHGDZJKPB-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP COCC[N@@H+](Cc1ccc(Br)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC001235942524 1041448303 /nfs/dbraw/zinc/44/83/03/1041448303.db2.gz DTGDLOHGDZJKPB-UHFFFAOYSA-N 2 1 395.263 3.668 20 0 GHADMP COCCCOc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235972819 1041477136 /nfs/dbraw/zinc/47/71/36/1041477136.db2.gz LCMNMMCFCCQUEC-UHFFFAOYSA-N 2 1 380.532 3.739 20 0 GHADMP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235976035 1041481100 /nfs/dbraw/zinc/48/11/00/1041481100.db2.gz ZFIYOQIJSACFEL-SFHVURJKSA-N 2 1 378.516 3.731 20 0 GHADMP CCOC(=O)[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC001236008393 1041499898 /nfs/dbraw/zinc/49/98/98/1041499898.db2.gz KDSUELJRANXONX-PMACEKPBSA-N 2 1 384.545 3.563 20 0 GHADMP [NH3+]CC1CN([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079093 1041524628 /nfs/dbraw/zinc/52/46/28/1041524628.db2.gz LIOBOMBVBFAKIR-OAQYLSRUSA-N 2 1 399.966 3.774 20 0 GHADMP [NH3+]CC1CN([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3Cl)C2)C1 ZINC001236079093 1041524631 /nfs/dbraw/zinc/52/46/31/1041524631.db2.gz LIOBOMBVBFAKIR-OAQYLSRUSA-N 2 1 399.966 3.774 20 0 GHADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC001236081990 1041526105 /nfs/dbraw/zinc/52/61/05/1041526105.db2.gz UOUCYOGEBORFQD-UHFFFAOYSA-N 2 1 393.453 3.589 20 0 GHADMP COc1ccc([C@H](C[N@@H+](C)Cc2ccc3n2CC[NH2+]C3)C2(O)CCCCC2)cc1 ZINC001236093415 1041530275 /nfs/dbraw/zinc/53/02/75/1041530275.db2.gz HPGHVODJSWPXMT-QHCPKHFHSA-N 2 1 397.563 3.511 20 0 GHADMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cccc(N4CC[NH2+]CC4)c3)C2)cc1 ZINC001236093221 1041530482 /nfs/dbraw/zinc/53/04/82/1041530482.db2.gz SUKVUOVYJBMOBY-NRFANRHFSA-N 2 1 379.548 3.560 20 0 GHADMP COC(=O)C[C@H](C)[N@@H+](Cc1cn2c3c1cccc3C[NH2+]CC2)Cc1ccccc1 ZINC001236144729 1041567323 /nfs/dbraw/zinc/56/73/23/1041567323.db2.gz SGWRHLSJAFXWGZ-SFHVURJKSA-N 2 1 391.515 3.698 20 0 GHADMP COc1cccc(C[C@H](C)[NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001256152701 1041590448 /nfs/dbraw/zinc/59/04/48/1041590448.db2.gz XIUGTHHZLVJMQQ-VJBMBRPKSA-N 2 1 385.596 3.555 20 0 GHADMP COc1cccc(C[C@H](C)[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1 ZINC001256159484 1041595276 /nfs/dbraw/zinc/59/52/76/1041595276.db2.gz AIDGIZUBEXHQTH-FPOVZHCZSA-N 2 1 398.547 3.975 20 0 GHADMP CCC[N@H+](Cc1cc(Br)c(Br)o1)C1CC[NH2+]CC1 ZINC001236181849 1041601668 /nfs/dbraw/zinc/60/16/68/1041601668.db2.gz HPCOLHMUBLLLPS-UHFFFAOYSA-N 2 1 380.124 3.769 20 0 GHADMP CCC[N@@H+](Cc1cc(Br)c(Br)o1)C1CC[NH2+]CC1 ZINC001236181849 1041601681 /nfs/dbraw/zinc/60/16/81/1041601681.db2.gz HPCOLHMUBLLLPS-UHFFFAOYSA-N 2 1 380.124 3.769 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3c[nH]c4ccccc34)s2)CC1 ZINC001236194281 1041611397 /nfs/dbraw/zinc/61/13/97/1041611397.db2.gz VDKZWUCBPRLSHA-FQEVSTJZSA-N 2 1 381.549 3.713 20 0 GHADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3c[nH]c4ccccc34)s2)CC1 ZINC001236194281 1041611412 /nfs/dbraw/zinc/61/14/12/1041611412.db2.gz VDKZWUCBPRLSHA-FQEVSTJZSA-N 2 1 381.549 3.713 20 0 GHADMP C[N@@H+](Cc1cc(Br)ccc1Br)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236224411 1041629745 /nfs/dbraw/zinc/62/97/45/1041629745.db2.gz UDQXYTJPHVZJOX-JOCQHMNTSA-N 2 1 376.136 3.913 20 0 GHADMP C[N@@H+](Cc1cccc(Oc2ccccc2)c1)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001236239688 1041639088 /nfs/dbraw/zinc/63/90/88/1041639088.db2.gz HTZJUNLAECRTJC-UHFFFAOYSA-N 2 1 389.499 3.799 20 0 GHADMP C[NH+]1CCC([NH+]2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)CC1 ZINC001256202937 1041646793 /nfs/dbraw/zinc/64/67/93/1041646793.db2.gz BDWNEZNILFVSPU-UHFFFAOYSA-N 2 1 393.510 3.809 20 0 GHADMP CCOC(=O)N1CCC([NH+]2CCC([NH3+])(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001256234351 1041669514 /nfs/dbraw/zinc/66/95/14/1041669514.db2.gz MEBHPBFWHYEXFW-UHFFFAOYSA-N 2 1 399.457 3.576 20 0 GHADMP FC(F)(F)Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236320510 1041670425 /nfs/dbraw/zinc/67/04/25/1041670425.db2.gz HZBMIJZQULKRGV-BETUJISGSA-N 2 1 393.247 3.779 20 0 GHADMP FC(F)(F)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC001236320244 1041670613 /nfs/dbraw/zinc/67/06/13/1041670613.db2.gz NUIZAKACFMEPRU-TXEJJXNPSA-N 2 1 377.248 3.899 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376822 1041688880 /nfs/dbraw/zinc/68/88/80/1041688880.db2.gz USWJMPVOROWGRG-KRWDZBQOSA-N 3 1 376.614 3.663 20 0 GHADMP Cc1nc(C2CC[NH2+]CC2)sc1CN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236376822 1041688885 /nfs/dbraw/zinc/68/88/85/1041688885.db2.gz USWJMPVOROWGRG-KRWDZBQOSA-N 2 1 376.614 3.663 20 0 GHADMP Fc1ccc(C[N@H+](Cc2ccc3c(c2)OCCCO3)CC2CC[NH2+]CC2)cc1 ZINC001236383137 1041691630 /nfs/dbraw/zinc/69/16/30/1041691630.db2.gz RTMTWYDUBXJDNR-UHFFFAOYSA-N 2 1 384.495 3.989 20 0 GHADMP Fc1ccc(C[N@@H+](Cc2ccc(OC(F)F)nc2)CC2CC[NH2+]CC2)cc1 ZINC001236385158 1041693376 /nfs/dbraw/zinc/69/33/76/1041693376.db2.gz PLYFFCYUFVPOCE-UHFFFAOYSA-N 2 1 379.426 3.824 20 0 GHADMP COC(=O)c1cccc(C[N@H+](Cc2ccc3c(c2)CCC3)C2CC[NH2+]CC2)c1 ZINC001236464586 1041726342 /nfs/dbraw/zinc/72/63/42/1041726342.db2.gz HIHQVJZWDJNABD-UHFFFAOYSA-N 2 1 378.516 3.716 20 0 GHADMP COC(=O)c1cccc(C[N@@H+](Cc2ccc3c(c2)CCC3)C2CC[NH2+]CC2)c1 ZINC001236464586 1041726345 /nfs/dbraw/zinc/72/63/45/1041726345.db2.gz HIHQVJZWDJNABD-UHFFFAOYSA-N 2 1 378.516 3.716 20 0 GHADMP CC1(C[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001236490571 1041737447 /nfs/dbraw/zinc/73/74/47/1041737447.db2.gz GUCWBHJLIRFDGL-UHFFFAOYSA-N 3 1 387.465 3.788 20 0 GHADMP CC1(CN(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001236490571 1041737454 /nfs/dbraw/zinc/73/74/54/1041737454.db2.gz GUCWBHJLIRFDGL-UHFFFAOYSA-N 2 1 387.465 3.788 20 0 GHADMP Cc1ccc(F)cc1C[N@H+](Cc1cccc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001236510374 1041746817 /nfs/dbraw/zinc/74/68/17/1041746817.db2.gz VWKDCYQUNHTUFT-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP Cc1ccc(F)cc1C[N@@H+](Cc1cccc(N2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001236510374 1041746822 /nfs/dbraw/zinc/74/68/22/1041746822.db2.gz VWKDCYQUNHTUFT-UHFFFAOYSA-N 2 1 397.538 3.725 20 0 GHADMP COc1ccc(C[N@H+](Cc2ccc(N(C)C)s2)C2CC[NH2+]CC2)cc1F ZINC001236516045 1041749063 /nfs/dbraw/zinc/74/90/63/1041749063.db2.gz JGUJUHLVOFXTAE-UHFFFAOYSA-N 2 1 377.529 3.716 20 0 GHADMP COc1ccc(C[N@@H+](Cc2ccc(N(C)C)s2)C2CC[NH2+]CC2)cc1F ZINC001236516045 1041749070 /nfs/dbraw/zinc/74/90/70/1041749070.db2.gz JGUJUHLVOFXTAE-UHFFFAOYSA-N 2 1 377.529 3.716 20 0 GHADMP CCN1CCc2ccc(C[N@H+](Cc3ccc(OC)c(F)c3)C3CC[NH2+]CC3)cc21 ZINC001236518971 1041751223 /nfs/dbraw/zinc/75/12/23/1041751223.db2.gz ZYZNUOHSOREGLG-UHFFFAOYSA-N 2 1 397.538 3.971 20 0 GHADMP CCN1CCc2ccc(C[N@@H+](Cc3ccc(OC)c(F)c3)C3CC[NH2+]CC3)cc21 ZINC001236518971 1041751232 /nfs/dbraw/zinc/75/12/32/1041751232.db2.gz ZYZNUOHSOREGLG-UHFFFAOYSA-N 2 1 397.538 3.971 20 0 GHADMP COc1ccc(C[N@@H+](Cc2c(F)ccc(N)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544482 1041757802 /nfs/dbraw/zinc/75/78/02/1041757802.db2.gz OZPQGBXLNIAYNS-WKILWMFISA-N 2 1 375.463 3.828 20 0 GHADMP COC(=O)c1cccc2n[nH]c(C[N@@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001236566160 1041765069 /nfs/dbraw/zinc/76/50/69/1041765069.db2.gz RTYDBZUJPYVEOB-JCNLHEQBSA-N 2 1 384.524 3.754 20 0 GHADMP COC(=O)c1cccc2[nH]nc(C[N@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001236566160 1041765073 /nfs/dbraw/zinc/76/50/73/1041765073.db2.gz RTYDBZUJPYVEOB-JCNLHEQBSA-N 2 1 384.524 3.754 20 0 GHADMP COC(=O)c1cccc2[nH]nc(C[N@@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)c21 ZINC001236566160 1041765077 /nfs/dbraw/zinc/76/50/77/1041765077.db2.gz RTYDBZUJPYVEOB-JCNLHEQBSA-N 2 1 384.524 3.754 20 0 GHADMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2[nH]nc3c2cccc3Br)C2CCC2)CC1 ZINC001236576510 1041766746 /nfs/dbraw/zinc/76/67/46/1041766746.db2.gz LTYPOOUYBOHTPD-MQMHXKEQSA-N 2 1 377.330 3.950 20 0 GHADMP COC(=O)c1cc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1OC ZINC001236695642 1041836679 /nfs/dbraw/zinc/83/66/79/1041836679.db2.gz ZQRIUTQHIGOPPY-MXVIHJGJSA-N 2 1 382.504 3.754 20 0 GHADMP COC(=O)c1ccc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236701322 1041841060 /nfs/dbraw/zinc/84/10/60/1041841060.db2.gz PUBBPYYSZAOGQL-MEMLXQNLSA-N 2 1 382.504 3.754 20 0 GHADMP Brc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc2ccccc12 ZINC001462571631 1070378018 /nfs/dbraw/zinc/37/80/18/1070378018.db2.gz ATOXKAOYDIIVSN-GOSISDBHSA-N 2 1 389.337 3.945 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@@H]12 ZINC001236822032 1041916833 /nfs/dbraw/zinc/91/68/33/1041916833.db2.gz XVRGVVNNTZHBSA-ZTFGCOKTSA-N 2 1 378.358 3.609 20 0 GHADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCCCC3)C[C@@H]12 ZINC001236822032 1041916837 /nfs/dbraw/zinc/91/68/37/1041916837.db2.gz XVRGVVNNTZHBSA-ZTFGCOKTSA-N 2 1 378.358 3.609 20 0 GHADMP C[NH+]1CCN(c2cccc(C[N@H+]3CCO[C@](C)(c4ccc(Cl)cc4)C3)c2)CC1 ZINC001236891452 1041941871 /nfs/dbraw/zinc/94/18/71/1041941871.db2.gz WLRJDODYZUPSHH-QHCPKHFHSA-N 2 1 399.966 3.839 20 0 GHADMP COc1ccc([C@@H]2CSCC[N@H+]2Cc2cccc(N3CC[NH+](C)CC3)c2)cc1 ZINC001236898476 1041945490 /nfs/dbraw/zinc/94/54/90/1041945490.db2.gz MJOGKQILGWKJCJ-QHCPKHFHSA-N 2 1 397.588 3.737 20 0 GHADMP COc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(N3CC[NH+](C)CC3)c1)CCC2 ZINC001236965685 1041972081 /nfs/dbraw/zinc/97/20/81/1041972081.db2.gz CDEOFIUJTTVBTM-UHFFFAOYSA-N 2 1 383.511 3.535 20 0 GHADMP COc1ccc2c(c1)C[N@H+](Cc1ccc(F)c(N3CC[NH+](C)CC3)c1)CCC2 ZINC001236965685 1041972082 /nfs/dbraw/zinc/97/20/82/1041972082.db2.gz CDEOFIUJTTVBTM-UHFFFAOYSA-N 2 1 383.511 3.535 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001236998031 1041983511 /nfs/dbraw/zinc/98/35/11/1041983511.db2.gz AVCDDVNAOLTGFB-WOJBJXKFSA-N 2 1 388.559 3.839 20 0 GHADMP C[C@@H]1C[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H](C)CN1Cc1ccccc1 ZINC001236998031 1041983513 /nfs/dbraw/zinc/98/35/13/1041983513.db2.gz AVCDDVNAOLTGFB-WOJBJXKFSA-N 2 1 388.559 3.839 20 0 GHADMP C[C@@H]1C[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)[C@H](C)CN1Cc1ccccc1 ZINC001236998031 1041983517 /nfs/dbraw/zinc/98/35/17/1041983517.db2.gz AVCDDVNAOLTGFB-WOJBJXKFSA-N 2 1 388.559 3.839 20 0 GHADMP [NH3+]CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(c(OCc3ccccc3)c1)OCO2 ZINC001237078895 1042024005 /nfs/dbraw/zinc/02/40/05/1042024005.db2.gz WLSBRTBBPNAOCN-CTXDPNEZSA-N 2 1 380.488 3.696 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237081779 1042027983 /nfs/dbraw/zinc/02/79/83/1042027983.db2.gz MKLUONYGSNQQRI-HSZRJFAPSA-N 2 1 382.504 3.613 20 0 GHADMP COC(=O)c1ccc(COc2ccccc2C[N@H+]2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237081779 1042027986 /nfs/dbraw/zinc/02/79/86/1042027986.db2.gz MKLUONYGSNQQRI-HSZRJFAPSA-N 2 1 382.504 3.613 20 0 GHADMP C[NH+]1CCN(c2cc(Br)ccc2C[N@H+]2CCC[C@@](C)(F)CC2)CC1 ZINC001237092051 1042031801 /nfs/dbraw/zinc/03/18/01/1042031801.db2.gz HVRXBPACIYPOMD-LJQANCHMSA-N 2 1 398.364 3.915 20 0 GHADMP S=C1C=COC1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001237180998 1042081179 /nfs/dbraw/zinc/08/11/79/1042081179.db2.gz PFGPYDVNRJARFR-NQIIRXRSSA-N 2 1 376.566 3.529 20 0 GHADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@H]3C2)cc1 ZINC001237263627 1042113442 /nfs/dbraw/zinc/11/34/42/1042113442.db2.gz DJZSXXJSNUHHPL-DQEYMECFSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@H]3C2)cc1 ZINC001237263627 1042113447 /nfs/dbraw/zinc/11/34/47/1042113447.db2.gz DJZSXXJSNUHHPL-DQEYMECFSA-N 3 1 375.560 3.676 20 0 GHADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)CC[NH2+]C5)CC[C@H]3C2)cc1 ZINC001237263627 1042113452 /nfs/dbraw/zinc/11/34/52/1042113452.db2.gz DJZSXXJSNUHHPL-DQEYMECFSA-N 3 1 375.560 3.676 20 0 GHADMP CCc1cccc(C)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237326770 1042149855 /nfs/dbraw/zinc/14/98/55/1042149855.db2.gz JHFGQUYBECFHPA-ISKFKSNPSA-N 2 1 379.548 3.675 20 0 GHADMP CCc1cccc(C)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237326770 1042149859 /nfs/dbraw/zinc/14/98/59/1042149859.db2.gz JHFGQUYBECFHPA-ISKFKSNPSA-N 2 1 379.548 3.675 20 0 GHADMP CCc1cccc(C)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001237326770 1042149861 /nfs/dbraw/zinc/14/98/61/1042149861.db2.gz JHFGQUYBECFHPA-ISKFKSNPSA-N 2 1 379.548 3.675 20 0 GHADMP [NH3+][C@@H]1CCC12CC[NH+](Cc1cc(Br)c(Br)s1)CC2 ZINC001237356187 1042166749 /nfs/dbraw/zinc/16/67/49/1042166749.db2.gz HRJNPDZSCATAEE-LLVKDONJSA-N 2 1 394.176 3.976 20 0 GHADMP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CC2)NCc2ccccc23)cc1 ZINC001237360535 1042168964 /nfs/dbraw/zinc/16/89/64/1042168964.db2.gz ZTHZTVDTMUMNIB-UHFFFAOYSA-N 2 1 379.548 3.612 20 0 GHADMP [NH3+][C@H]1CCC12CC[NH+](Cc1c(Cl)cccc1I)CC2 ZINC001237360490 1042169072 /nfs/dbraw/zinc/16/90/72/1042169072.db2.gz ZLBUTOOQCKUPJA-AWEZNQCLSA-N 2 1 390.696 3.648 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2C)CCC12C[NH2+]C2 ZINC001237431132 1042205182 /nfs/dbraw/zinc/20/51/82/1042205182.db2.gz OASMXAFFJFXQJF-JOCHJYFZSA-N 2 1 378.516 3.637 20 0 GHADMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2-c2ccccc2C)CCC12C[NH2+]C2 ZINC001237431664 1042205541 /nfs/dbraw/zinc/20/55/41/1042205541.db2.gz QBDAGLLXIYHYFQ-JOCHJYFZSA-N 2 1 378.516 3.637 20 0 GHADMP CCOC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001237480865 1042227437 /nfs/dbraw/zinc/22/74/37/1042227437.db2.gz NSXGXGLSUQOIRA-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP CCOC(=O)Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001237480865 1042227443 /nfs/dbraw/zinc/22/74/43/1042227443.db2.gz NSXGXGLSUQOIRA-RUZDIDTESA-N 2 1 392.543 3.890 20 0 GHADMP COC(=O)Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC001237483099 1042227730 /nfs/dbraw/zinc/22/77/30/1042227730.db2.gz XQVKMPLIKMWHAL-UHFFFAOYSA-N 2 1 398.572 3.952 20 0 GHADMP c1nc(C2CC2)sc1C[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001237789590 1042370797 /nfs/dbraw/zinc/37/07/97/1042370797.db2.gz NQCMXYYTGHWXFF-UHFFFAOYSA-N 2 1 398.576 3.530 20 0 GHADMP Cc1cc(O[C@H]2CCC[N@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)ncn1 ZINC001237889380 1042411202 /nfs/dbraw/zinc/41/12/02/1042411202.db2.gz KYTGYGKCSYTMHV-FQEVSTJZSA-N 2 1 378.520 3.830 20 0 GHADMP C[NH+]1CCC2(CC[N@@H+](Cc3c[nH]c4cc(F)c(Br)cc34)C2)CC1 ZINC001237928681 1042425225 /nfs/dbraw/zinc/42/52/25/1042425225.db2.gz DKNVMSJMHFNZAS-UHFFFAOYSA-N 2 1 380.305 3.987 20 0 GHADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(F)c1O ZINC001238365774 1042570927 /nfs/dbraw/zinc/57/09/27/1042570927.db2.gz GOQMMVCAXJMGJF-MOPGFXCFSA-N 2 1 384.495 3.884 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1O ZINC001238365774 1042570930 /nfs/dbraw/zinc/57/09/30/1042570930.db2.gz GOQMMVCAXJMGJF-MOPGFXCFSA-N 2 1 384.495 3.884 20 0 GHADMP COc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(F)c1O ZINC001238365774 1042570931 /nfs/dbraw/zinc/57/09/31/1042570931.db2.gz GOQMMVCAXJMGJF-MOPGFXCFSA-N 2 1 384.495 3.884 20 0 GHADMP CC(C)Oc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)cn1 ZINC001238804311 1042736054 /nfs/dbraw/zinc/73/60/54/1042736054.db2.gz OVGCCTHOHNRISB-UHFFFAOYSA-N 2 1 398.526 3.891 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256522184 1043446752 /nfs/dbraw/zinc/44/67/52/1043446752.db2.gz IIHUZPGKFIYPPZ-SESVDKBCSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256522184 1043446762 /nfs/dbraw/zinc/44/67/62/1043446762.db2.gz IIHUZPGKFIYPPZ-SESVDKBCSA-N 2 1 387.568 3.886 20 0 GHADMP C[C@@H]1C[C@H](n2cc(C[C@H]([NH3+])CO)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC001256522404 1043448073 /nfs/dbraw/zinc/44/80/73/1043448073.db2.gz GMBYQRBFOGBVSE-BVYCBKJFSA-N 2 1 377.532 3.729 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2OCCc3cn(CC4CC4)nc32)CC[N@@H+]1Cc1ccccc1 ZINC001256524956 1043449703 /nfs/dbraw/zinc/44/97/03/1043449703.db2.gz XLTPXGIEJGZBKL-YFXJRYMSSA-N 2 1 394.563 3.550 20 0 GHADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2OCCc3cn(CC4CC4)nc32)CC[N@H+]1Cc1ccccc1 ZINC001256524956 1043449719 /nfs/dbraw/zinc/44/97/19/1043449719.db2.gz XLTPXGIEJGZBKL-YFXJRYMSSA-N 2 1 394.563 3.550 20 0 GHADMP CC[C@H](C)[N@@H+](C)CCn1c(N2CCC([NH+](CC)CC)CC2)nnc1C(C)(C)C ZINC001291783839 1043463518 /nfs/dbraw/zinc/46/35/18/1043463518.db2.gz CCWGNMSPJWDWHI-SFHVURJKSA-N 2 1 392.636 3.617 20 0 GHADMP COc1ccccc1C1([NH3+])CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256530750 1043464275 /nfs/dbraw/zinc/46/42/75/1043464275.db2.gz DYCOVNYEFCLBCW-IFMALSPDSA-N 2 1 393.575 3.998 20 0 GHADMP C[C@H]1C[C@H](N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256534582 1043469528 /nfs/dbraw/zinc/46/95/28/1043469528.db2.gz SIPAUUVZYYAUSV-JKLQHZFJSA-N 2 1 379.552 3.606 20 0 GHADMP C[C@H]1C[C@@H](N(c2ccncn2)[C@H]2CC[C@H]([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC001256534584 1043470343 /nfs/dbraw/zinc/47/03/43/1043470343.db2.gz SIPAUUVZYYAUSV-QESAQDPVSA-N 2 1 379.552 3.606 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC001256543226 1043498471 /nfs/dbraw/zinc/49/84/71/1043498471.db2.gz SFRFLXOIJVONJF-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC001256543226 1043498480 /nfs/dbraw/zinc/49/84/80/1043498480.db2.gz SFRFLXOIJVONJF-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256543226 1043498485 /nfs/dbraw/zinc/49/84/85/1043498485.db2.gz SFRFLXOIJVONJF-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC[NH+]1Cc1ccccc1 ZINC001256543226 1043498498 /nfs/dbraw/zinc/49/84/98/1043498498.db2.gz SFRFLXOIJVONJF-FVTFTPSCSA-N 2 1 399.579 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[N@@H+]1Cc1ccccc1 ZINC001256546418 1043506683 /nfs/dbraw/zinc/50/66/83/1043506683.db2.gz LKDQDVXISQLMQE-CMCXCUNFSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@@H]1C[C@H]([NH+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[N@H+]1Cc1ccccc1 ZINC001256546418 1043506696 /nfs/dbraw/zinc/50/66/96/1043506696.db2.gz LKDQDVXISQLMQE-CMCXCUNFSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH+]1Cc1ccccc1 ZINC001256546418 1043506710 /nfs/dbraw/zinc/50/67/10/1043506710.db2.gz LKDQDVXISQLMQE-CMCXCUNFSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC[NH+]1Cc1ccccc1 ZINC001256546418 1043506728 /nfs/dbraw/zinc/50/67/28/1043506728.db2.gz LKDQDVXISQLMQE-CMCXCUNFSA-N 2 1 395.572 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256552396 1043517011 /nfs/dbraw/zinc/51/70/11/1043517011.db2.gz BWUIIFBIAIAVMC-CEWLAPEOSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@H]1C[C@H]([NH+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001256552396 1043517022 /nfs/dbraw/zinc/51/70/22/1043517022.db2.gz BWUIIFBIAIAVMC-CEWLAPEOSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256552396 1043517032 /nfs/dbraw/zinc/51/70/32/1043517032.db2.gz BWUIIFBIAIAVMC-CEWLAPEOSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@H]1C[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001256552396 1043517045 /nfs/dbraw/zinc/51/70/45/1043517045.db2.gz BWUIIFBIAIAVMC-CEWLAPEOSA-N 2 1 387.568 3.981 20 0 GHADMP C[C@H]1C[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256552224 1043517231 /nfs/dbraw/zinc/51/72/31/1043517231.db2.gz ZUYGTNZTSWNOJY-UPVQGACJSA-N 2 1 393.575 3.736 20 0 GHADMP C[C@H]1C[C@@H](N2CC[NH+](CCOc3ccccc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256552224 1043517252 /nfs/dbraw/zinc/51/72/52/1043517252.db2.gz ZUYGTNZTSWNOJY-UPVQGACJSA-N 2 1 393.575 3.736 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256557022 1043528583 /nfs/dbraw/zinc/52/85/83/1043528583.db2.gz KRRFVVPVOYADLV-HMXCVIKNSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[N@H+]([C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256557022 1043528588 /nfs/dbraw/zinc/52/85/88/1043528588.db2.gz KRRFVVPVOYADLV-HMXCVIKNSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256557022 1043528595 /nfs/dbraw/zinc/52/85/95/1043528595.db2.gz KRRFVVPVOYADLV-HMXCVIKNSA-N 2 1 381.520 3.596 20 0 GHADMP COc1cccc(O[C@@H]2CC[NH+]([C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)n1 ZINC001256557022 1043528602 /nfs/dbraw/zinc/52/86/02/1043528602.db2.gz KRRFVVPVOYADLV-HMXCVIKNSA-N 2 1 381.520 3.596 20 0 GHADMP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559022 1043532976 /nfs/dbraw/zinc/53/29/76/1043532976.db2.gz XSEYAMRIOPQZMP-GDKQOWJMSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559022 1043532981 /nfs/dbraw/zinc/53/29/81/1043532981.db2.gz XSEYAMRIOPQZMP-GDKQOWJMSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559022 1043532983 /nfs/dbraw/zinc/53/29/83/1043532983.db2.gz XSEYAMRIOPQZMP-GDKQOWJMSA-N 2 1 392.543 3.928 20 0 GHADMP COC(=O)[C@@H]1C[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1c1ccccc1 ZINC001256559022 1043532989 /nfs/dbraw/zinc/53/29/89/1043532989.db2.gz XSEYAMRIOPQZMP-GDKQOWJMSA-N 2 1 392.543 3.928 20 0 GHADMP [NH3+]C1(Cc2cccc(Cl)c2)CCN(C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC001256584409 1043553738 /nfs/dbraw/zinc/55/37/38/1043553738.db2.gz OGZZKCVRQQGDPI-UHFFFAOYSA-N 2 1 398.982 3.735 20 0 GHADMP CN(C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001256594960 1043560343 /nfs/dbraw/zinc/56/03/43/1043560343.db2.gz BGZWFIXZKACTME-XMMPIXPASA-N 2 1 378.564 3.642 20 0 GHADMP CN(C1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001256594960 1043560353 /nfs/dbraw/zinc/56/03/53/1043560353.db2.gz BGZWFIXZKACTME-XMMPIXPASA-N 2 1 378.564 3.642 20 0 GHADMP COC(=O)[C@@H]([NH3+])Cc1cn(C2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC001256597213 1043561247 /nfs/dbraw/zinc/56/12/47/1043561247.db2.gz QQMKUWWBJVYQPQ-QFIPXVFZSA-N 2 1 391.515 3.521 20 0 GHADMP CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C1CC[NH+](Cc2ccncc2)CC1 ZINC001256597364 1043561380 /nfs/dbraw/zinc/56/13/80/1043561380.db2.gz RCXWPGBFSUHVFS-QHCPKHFHSA-N 2 1 378.564 3.642 20 0 GHADMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C1CC[NH+](Cc2ccncc2)CC1 ZINC001256597364 1043561386 /nfs/dbraw/zinc/56/13/86/1043561386.db2.gz RCXWPGBFSUHVFS-QHCPKHFHSA-N 2 1 378.564 3.642 20 0 GHADMP O=C(C1CCCCC1)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256600425 1043564555 /nfs/dbraw/zinc/56/45/55/1043564555.db2.gz GSDVZUOMCDDBNM-UHFFFAOYSA-N 2 1 383.580 3.812 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001256605056 1043567581 /nfs/dbraw/zinc/56/75/81/1043567581.db2.gz ABTCDBWBTMKLBS-RTWAWAEBSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001256605056 1043567589 /nfs/dbraw/zinc/56/75/89/1043567589.db2.gz ABTCDBWBTMKLBS-RTWAWAEBSA-N 2 1 399.579 3.840 20 0 GHADMP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)CC[C@@H]2C1 ZINC001256605056 1043567594 /nfs/dbraw/zinc/56/75/94/1043567594.db2.gz ABTCDBWBTMKLBS-RTWAWAEBSA-N 2 1 399.579 3.840 20 0 GHADMP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1Cc1ccccc1Cl ZINC001256605220 1043569021 /nfs/dbraw/zinc/56/90/21/1043569021.db2.gz YVCZJZAUQDAFHC-NRFANRHFSA-N 2 1 397.950 3.695 20 0 GHADMP c1ccc(CN2CCC([N@H+]3CCc4ncnc(-c5ccncc5)c4CC3)CC2)cc1 ZINC001256607955 1043571946 /nfs/dbraw/zinc/57/19/46/1043571946.db2.gz XMKYKKXDJGANTH-UHFFFAOYSA-N 2 1 399.542 3.604 20 0 GHADMP Cc1cccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC3(CC2)OCCO3)c1 ZINC001256616381 1043578562 /nfs/dbraw/zinc/57/85/62/1043578562.db2.gz RLTOFSNUMOJNFT-FRIKZZABSA-N 2 1 384.564 3.765 20 0 GHADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC001292260605 1043653510 /nfs/dbraw/zinc/65/35/10/1043653510.db2.gz DBHMFLMRZVPKIS-DHIUTWEWSA-N 2 1 379.548 3.769 20 0 GHADMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+]([C@H]3CCO[C@H](c4ccccc4)C3)C2)C1 ZINC001256807382 1043661803 /nfs/dbraw/zinc/66/18/03/1043661803.db2.gz AJHSSIIPZLTHHL-NAVOZUGXSA-N 2 1 384.564 3.587 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+]([C@H]3CCO[C@H](c4ccccc4)C3)C2)C1 ZINC001256807382 1043661820 /nfs/dbraw/zinc/66/18/20/1043661820.db2.gz AJHSSIIPZLTHHL-NAVOZUGXSA-N 2 1 384.564 3.587 20 0 GHADMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+]([C@H]3CCO[C@H](c4ccccc4)C3)C2)C1 ZINC001256807382 1043661829 /nfs/dbraw/zinc/66/18/29/1043661829.db2.gz AJHSSIIPZLTHHL-NAVOZUGXSA-N 2 1 384.564 3.587 20 0 GHADMP CCC[C@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256862299 1043707630 /nfs/dbraw/zinc/70/76/30/1043707630.db2.gz LVQFQIZAKKKPGM-FQEVSTJZSA-N 2 1 388.556 3.772 20 0 GHADMP CCC[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256864955 1043709596 /nfs/dbraw/zinc/70/95/96/1043709596.db2.gz OCNGOVKPMSNWHF-FQEVSTJZSA-N 2 1 388.556 3.772 20 0 GHADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256879308 1043717104 /nfs/dbraw/zinc/71/71/04/1043717104.db2.gz KHGZSENSFHITHZ-INIZCTEOSA-N 2 1 384.490 3.923 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCC[N@@H+](C3CCCC3)C1)C2 ZINC001256900305 1043729575 /nfs/dbraw/zinc/72/95/75/1043729575.db2.gz LURBFVRSHMYKLJ-ACGOYWBDSA-N 2 1 377.573 3.819 20 0 GHADMP CC(C)(C)OC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCC[N@H+](C3CCCC3)C1)C2 ZINC001256900305 1043729583 /nfs/dbraw/zinc/72/95/83/1043729583.db2.gz LURBFVRSHMYKLJ-ACGOYWBDSA-N 2 1 377.573 3.819 20 0 GHADMP Cc1cccc(N([C@H]2CO[C@@]3(CC[NH2+]C3)C2)[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256912238 1043738803 /nfs/dbraw/zinc/73/88/03/1043738803.db2.gz BDQKXFSLJOACIN-SMIHKQSGSA-N 2 1 383.580 3.729 20 0 GHADMP COC(=O)CC1CCC([N@@H+](Cc2cccc(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256979487 1043781289 /nfs/dbraw/zinc/78/12/89/1043781289.db2.gz ASZKCKIJJDIBBI-NYZKWMLCSA-N 2 1 388.552 3.889 20 0 GHADMP COC(=O)CC1CCC([N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001256986360 1043786331 /nfs/dbraw/zinc/78/63/31/1043786331.db2.gz MASHNLZTJHEIOK-GPJPBAPLSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001256986360 1043786340 /nfs/dbraw/zinc/78/63/40/1043786340.db2.gz MASHNLZTJHEIOK-GPJPBAPLSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001256986360 1043786351 /nfs/dbraw/zinc/78/63/51/1043786351.db2.gz MASHNLZTJHEIOK-GPJPBAPLSA-N 2 1 399.579 3.736 20 0 GHADMP COC(=O)CC1CCC([NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001256986360 1043786359 /nfs/dbraw/zinc/78/63/59/1043786359.db2.gz MASHNLZTJHEIOK-GPJPBAPLSA-N 2 1 399.579 3.736 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001257067550 1043828526 /nfs/dbraw/zinc/82/85/26/1043828526.db2.gz FRZLYADOGDJENG-XLIONFOSSA-N 2 1 378.944 3.968 20 0 GHADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)C1 ZINC001257067550 1043828540 /nfs/dbraw/zinc/82/85/40/1043828540.db2.gz FRZLYADOGDJENG-XLIONFOSSA-N 2 1 378.944 3.968 20 0 GHADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001292800331 1043882540 /nfs/dbraw/zinc/88/25/40/1043882540.db2.gz XKAGOVHZWJOBMA-GOTSBHOMSA-N 2 1 397.538 3.580 20 0 GHADMP CCOC(=O)c1ccc(C[C@H](C)N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)cc1 ZINC001257166608 1043911926 /nfs/dbraw/zinc/91/19/26/1043911926.db2.gz GUAMJTUYSUPLDM-SFHVURJKSA-N 2 1 381.520 3.756 20 0 GHADMP CC(C)[C@@H]1C[C@H](n2c[nH+]cc2C2CC[NH2+]CC2)CCN1C(=O)OC(C)(C)C ZINC001257205431 1043935503 /nfs/dbraw/zinc/93/55/03/1043935503.db2.gz NRFSPORQYRTCLG-MSOLQXFVSA-N 2 1 376.545 3.947 20 0 GHADMP CCC[N@H+]1CCC[C@@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC001293053099 1044003349 /nfs/dbraw/zinc/00/33/49/1044003349.db2.gz XURBOYGAMAVUPD-HXUWFJFHSA-N 2 1 391.987 3.886 20 0 GHADMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3C[C@@H](C2)CN(C(=O)OC(C)(C)C)C3)[C@H](C)C1 ZINC001257846373 1044218656 /nfs/dbraw/zinc/21/86/56/1044218656.db2.gz WJNKSZVJFSQRIV-LXKKFAQKSA-N 2 1 379.589 3.730 20 0 GHADMP CC(C)OC1CCC([NH2+][C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)CC1 ZINC001257874204 1044235174 /nfs/dbraw/zinc/23/51/74/1044235174.db2.gz MPOLZVQROMFAID-DOBXKQIDSA-N 2 1 377.617 3.651 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)C1 ZINC001293678021 1044290607 /nfs/dbraw/zinc/29/06/07/1044290607.db2.gz QUCYNCUAPJZKAH-NQIIRXRSSA-N 2 1 383.536 3.648 20 0 GHADMP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC001293678021 1044290619 /nfs/dbraw/zinc/29/06/19/1044290619.db2.gz QUCYNCUAPJZKAH-NQIIRXRSSA-N 2 1 383.536 3.648 20 0 GHADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)C1 ZINC001257973516 1044295726 /nfs/dbraw/zinc/29/57/26/1044295726.db2.gz MJGBGPJDIHEEDX-NJDAHSKKSA-N 2 1 387.568 3.539 20 0 GHADMP CC(C)(C)OC(=O)N1CC[C@@H](n2cc[nH+]c2CCC[NH3+])C[C@H]1Cc1ccccc1 ZINC001257990391 1044320023 /nfs/dbraw/zinc/32/00/23/1044320023.db2.gz SSRLZZVKZYBYJE-WOJBJXKFSA-N 2 1 398.551 3.958 20 0 GHADMP CC(C)C[NH+]1CCC([N@H+]2C[C@H](CF)[C@@H](C3(NC(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001258013850 1044340202 /nfs/dbraw/zinc/34/02/02/1044340202.db2.gz YECASSUWJWZGDJ-HKUYNNGSSA-N 2 1 397.579 3.682 20 0 GHADMP COc1cccc(CN2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC001258137994 1044423491 /nfs/dbraw/zinc/42/34/91/1044423491.db2.gz OGTKGOJSCBMKHZ-DEOSSOPVSA-N 2 1 393.575 3.566 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141938 1044426924 /nfs/dbraw/zinc/42/69/24/1044426924.db2.gz QDWOLNXMXLFDBE-DEOSSOPVSA-N 2 1 383.580 3.561 20 0 GHADMP CC(=O)N1CCCC[C@@]12CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141938 1044426939 /nfs/dbraw/zinc/42/69/39/1044426939.db2.gz QDWOLNXMXLFDBE-DEOSSOPVSA-N 2 1 383.580 3.561 20 0 GHADMP C[N@H+](CCCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141475 1044427386 /nfs/dbraw/zinc/42/73/86/1044427386.db2.gz ALYQUYVTETZMNM-UHFFFAOYSA-N 2 1 375.557 3.540 20 0 GHADMP C[N@@H+](CCCNC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258141475 1044427387 /nfs/dbraw/zinc/42/73/87/1044427387.db2.gz ALYQUYVTETZMNM-UHFFFAOYSA-N 2 1 375.557 3.540 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142772 1044429167 /nfs/dbraw/zinc/42/91/67/1044429167.db2.gz KOPHGQOSESRLNW-UHFFFAOYSA-N 2 1 399.579 3.636 20 0 GHADMP CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142772 1044429173 /nfs/dbraw/zinc/42/91/73/1044429173.db2.gz KOPHGQOSESRLNW-UHFFFAOYSA-N 2 1 399.579 3.636 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143652 1044429793 /nfs/dbraw/zinc/42/97/93/1044429793.db2.gz OKWCQRAVUIRRTQ-LADGPHEKSA-N 2 1 386.580 3.601 20 0 GHADMP COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258143652 1044429809 /nfs/dbraw/zinc/42/98/09/1044429809.db2.gz OKWCQRAVUIRRTQ-LADGPHEKSA-N 2 1 386.580 3.601 20 0 GHADMP CCCCC(CCCC)[N@@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258385741 1044528536 /nfs/dbraw/zinc/52/85/36/1044528536.db2.gz KDIUGTOUMRSICT-NRFANRHFSA-N 2 1 391.604 3.576 20 0 GHADMP CCCCC(CCCC)[N@H+]1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001258385741 1044528552 /nfs/dbraw/zinc/52/85/52/1044528552.db2.gz KDIUGTOUMRSICT-NRFANRHFSA-N 2 1 391.604 3.576 20 0 GHADMP Cc1ccc(NCCCNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(C)c2)[nH+]c1 ZINC001294245868 1044547510 /nfs/dbraw/zinc/54/75/10/1044547510.db2.gz GOYMQBOXIGDIAQ-OAQYLSRUSA-N 2 1 380.536 3.671 20 0 GHADMP Cc1ccc(NCCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2)[nH+]c1 ZINC001294245868 1044547527 /nfs/dbraw/zinc/54/75/27/1044547527.db2.gz GOYMQBOXIGDIAQ-OAQYLSRUSA-N 2 1 380.536 3.671 20 0 GHADMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)CC1 ZINC001258585883 1044658364 /nfs/dbraw/zinc/65/83/64/1044658364.db2.gz WMMDPUDAPBRUKG-OAQYLSRUSA-N 2 1 392.547 3.510 20 0 GHADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]C1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC001258740311 1044737779 /nfs/dbraw/zinc/73/77/79/1044737779.db2.gz PVZVOYNGXIVABM-HNNXBMFYSA-N 2 1 381.948 3.589 20 0 GHADMP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@@H]1C ZINC001295102926 1044917287 /nfs/dbraw/zinc/91/72/87/1044917287.db2.gz CCKHDQDFTDUVTM-CEWLAPEOSA-N 2 1 397.588 3.516 20 0 GHADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@@H]1C ZINC001295102926 1044917290 /nfs/dbraw/zinc/91/72/90/1044917290.db2.gz CCKHDQDFTDUVTM-CEWLAPEOSA-N 2 1 397.588 3.516 20 0 GHADMP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C[C@@H]1C ZINC001295102926 1044917293 /nfs/dbraw/zinc/91/72/93/1044917293.db2.gz CCKHDQDFTDUVTM-CEWLAPEOSA-N 2 1 397.588 3.516 20 0 GHADMP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295376481 1044992587 /nfs/dbraw/zinc/99/25/87/1044992587.db2.gz NHSDZRPBDHDXLY-QYZOEREBSA-N 2 1 390.620 3.585 20 0 GHADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C3CCC3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001296000637 1045218394 /nfs/dbraw/zinc/21/83/94/1045218394.db2.gz ZNUJQKZIOIMEDQ-RTBURBONSA-N 2 1 390.620 3.583 20 0 GHADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001261233056 1045932354 /nfs/dbraw/zinc/93/23/54/1045932354.db2.gz DLLWATHEISNHLL-MBJRSGMTSA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001261233056 1045932359 /nfs/dbraw/zinc/93/23/59/1045932359.db2.gz DLLWATHEISNHLL-MBJRSGMTSA-N 2 1 398.595 3.602 20 0 GHADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001261233056 1045932368 /nfs/dbraw/zinc/93/23/68/1045932368.db2.gz DLLWATHEISNHLL-MBJRSGMTSA-N 2 1 398.595 3.602 20 0 GHADMP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001261492835 1046006132 /nfs/dbraw/zinc/00/61/32/1046006132.db2.gz WIOHNCQMWAJOKO-NRFANRHFSA-N 2 1 381.495 3.971 20 0 GHADMP OC[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC1CCOCC1 ZINC001262203048 1046212723 /nfs/dbraw/zinc/21/27/23/1046212723.db2.gz KFBDGUCMXOUGNL-KWDCZQRMSA-N 2 1 386.580 3.587 20 0 GHADMP C[C@@H](C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001303540166 1047419457 /nfs/dbraw/zinc/41/94/57/1047419457.db2.gz LQFBJHSLHVPCOT-RTWAWAEBSA-N 2 1 397.607 3.805 20 0 GHADMP Clc1cc(C[NH+]2CCC3(CCC[N@@H+](CCn4ccnc4)C3)CC2)cs1 ZINC001279116583 1047724155 /nfs/dbraw/zinc/72/41/55/1047724155.db2.gz QRSRJHWDNILGEF-UHFFFAOYSA-N 2 1 378.973 3.976 20 0 GHADMP C[N@@H+]1CCCC2(CC[NH+](Cc3ccc(I)cc3)CC2)C1 ZINC001279331520 1047770366 /nfs/dbraw/zinc/77/03/66/1047770366.db2.gz SIJLESACJWXSMM-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP C[N@H+]1CCCC2(CC[NH+](Cc3ccc(I)cc3)CC2)C1 ZINC001279331520 1047770370 /nfs/dbraw/zinc/77/03/70/1047770370.db2.gz SIJLESACJWXSMM-UHFFFAOYSA-N 2 1 384.305 3.599 20 0 GHADMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(Cl)cs2)CC3)n(C)n1 ZINC001279577359 1047846560 /nfs/dbraw/zinc/84/65/60/1047846560.db2.gz MNLPTXDCVNBHCZ-UHFFFAOYSA-N 2 1 378.973 3.932 20 0 GHADMP Cc1cc(C[N@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c(Cl)nc1C ZINC001279945672 1047998844 /nfs/dbraw/zinc/99/88/44/1047998844.db2.gz AJUQPCAKZJAWEA-NRFANRHFSA-N 2 1 378.992 3.591 20 0 GHADMP Cc1cc(C[N@@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)c(Cl)nc1C ZINC001279945672 1047998847 /nfs/dbraw/zinc/99/88/47/1047998847.db2.gz AJUQPCAKZJAWEA-NRFANRHFSA-N 2 1 378.992 3.591 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@@H+](CC)C(C)C ZINC001305451892 1048064277 /nfs/dbraw/zinc/06/42/77/1048064277.db2.gz CXDPUKWKJWCKAK-UXHICEINSA-N 2 1 390.620 3.587 20 0 GHADMP CCCC[C@@H](CC)C[N@@H+]1CCCC2(CC[NH+](CCS(=O)(=O)CC)CC2)C1 ZINC001280073787 1048071191 /nfs/dbraw/zinc/07/11/91/1048071191.db2.gz FNQJPSBSAHPPMT-HXUWFJFHSA-N 2 1 386.646 3.816 20 0 GHADMP CCCC[C@@H](CC)C[N@H+]1CCCC2(CC[NH+](CCS(=O)(=O)CC)CC2)C1 ZINC001280073787 1048071205 /nfs/dbraw/zinc/07/12/05/1048071205.db2.gz FNQJPSBSAHPPMT-HXUWFJFHSA-N 2 1 386.646 3.816 20 0 GHADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)[NH+]1CCCC1 ZINC001306353841 1048593987 /nfs/dbraw/zinc/59/39/87/1048593987.db2.gz HPWLDVYXSDNFKX-HMXCVIKNSA-N 2 1 397.588 3.564 20 0 GHADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(c3cc[nH+]cc3C(F)(F)F)C2)ccn1 ZINC001307175781 1049119731 /nfs/dbraw/zinc/11/97/31/1049119731.db2.gz RJVTZNAEZKEUOX-QGZVFWFLSA-N 2 1 394.441 3.993 20 0 GHADMP O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307477468 1049314729 /nfs/dbraw/zinc/31/47/29/1049314729.db2.gz BZRYAFUCXUZKKL-DZFGPLHGSA-N 2 1 389.971 3.858 20 0 GHADMP O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001307477468 1049314741 /nfs/dbraw/zinc/31/47/41/1049314741.db2.gz BZRYAFUCXUZKKL-DZFGPLHGSA-N 2 1 389.971 3.858 20 0 GHADMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C(C)C)CC3)cc2)CC1 ZINC001307478533 1049316111 /nfs/dbraw/zinc/31/61/11/1049316111.db2.gz QYMYBMLFMYTMQQ-HXUWFJFHSA-N 2 1 386.584 3.525 20 0 GHADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC001307911420 1049688894 /nfs/dbraw/zinc/68/88/94/1049688894.db2.gz UDFDEWRWYHXJKW-WOJBJXKFSA-N 2 1 395.547 3.641 20 0 GHADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)CCC2(C)C)CC1 ZINC001307946283 1049715968 /nfs/dbraw/zinc/71/59/68/1049715968.db2.gz VICYJMHZDQNAGL-UHFFFAOYSA-N 2 1 385.596 3.976 20 0 GHADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC001307983187 1049738612 /nfs/dbraw/zinc/73/86/12/1049738612.db2.gz QUSOYXXZKKZWIF-GOSISDBHSA-N 2 1 384.486 3.949 20 0 GHADMP Cc1cc(=O)oc2cc(OCC[N@H+](CC(C)C)CC3CC[NH+](C)CC3)ccc12 ZINC001308028081 1049778972 /nfs/dbraw/zinc/77/89/72/1049778972.db2.gz PQVDFIFTUNVTKB-UHFFFAOYSA-N 2 1 386.536 3.780 20 0 GHADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)[C@H]2C(C)C)CC1 ZINC001308149203 1049886646 /nfs/dbraw/zinc/88/66/46/1049886646.db2.gz AZCAMGVAVRBMAB-IBGZPJMESA-N 2 1 390.572 3.939 20 0 GHADMP CC(C)Cc1ncc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC001308196329 1049909105 /nfs/dbraw/zinc/90/91/05/1049909105.db2.gz GBDYRKZQXBWMFD-OAQYLSRUSA-N 2 1 386.609 3.810 20 0 GHADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccc1OC(=O)CC ZINC001308197909 1049909571 /nfs/dbraw/zinc/90/95/71/1049909571.db2.gz TWGSSSZUQAEVRJ-UHFFFAOYSA-N 2 1 396.531 3.939 20 0 GHADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccc1OC(=O)CC ZINC001308197909 1049909572 /nfs/dbraw/zinc/90/95/72/1049909572.db2.gz TWGSSSZUQAEVRJ-UHFFFAOYSA-N 2 1 396.531 3.939 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)cc1I ZINC001308205011 1049911943 /nfs/dbraw/zinc/91/19/43/1049911943.db2.gz LVKZBVHRGHLAHT-IRXDYDNUSA-N 2 1 384.305 3.624 20 0 GHADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)cc1I ZINC001308205011 1049911946 /nfs/dbraw/zinc/91/19/46/1049911946.db2.gz LVKZBVHRGHLAHT-IRXDYDNUSA-N 2 1 384.305 3.624 20 0 GHADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC001308270372 1049932583 /nfs/dbraw/zinc/93/25/83/1049932583.db2.gz UVDSUYISPIHOJC-KBXCAEBGSA-N 2 1 387.337 3.815 20 0 GHADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)[C@@H](C)C1 ZINC001308270372 1049932586 /nfs/dbraw/zinc/93/25/86/1049932586.db2.gz UVDSUYISPIHOJC-KBXCAEBGSA-N 2 1 387.337 3.815 20 0 GHADMP COC(=O)COc1ccccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001308271678 1049933308 /nfs/dbraw/zinc/93/33/08/1049933308.db2.gz YIFXZWKGXVEISD-GOSISDBHSA-N 2 1 382.504 3.554 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(OC)c1OC ZINC001308281582 1049936441 /nfs/dbraw/zinc/93/64/41/1049936441.db2.gz ADGRVJFOOBRAPC-OXQOHEQNSA-N 2 1 390.549 3.947 20 0 GHADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(OC)c1OC ZINC001308281582 1049936442 /nfs/dbraw/zinc/93/64/42/1049936442.db2.gz ADGRVJFOOBRAPC-OXQOHEQNSA-N 2 1 390.549 3.947 20 0 GHADMP COc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2c1 ZINC001308368393 1049960199 /nfs/dbraw/zinc/96/01/99/1049960199.db2.gz VIQZTNKXUJWGSO-HSZRJFAPSA-N 2 1 376.500 3.705 20 0 GHADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(CC(C)C)nc1 ZINC001308442412 1049977347 /nfs/dbraw/zinc/97/73/47/1049977347.db2.gz XDWRZTVCSLGOFU-ISKFKSNPSA-N 2 1 381.564 3.907 20 0 GHADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(CC(C)C)nc1 ZINC001308442412 1049977349 /nfs/dbraw/zinc/97/73/49/1049977349.db2.gz XDWRZTVCSLGOFU-ISKFKSNPSA-N 2 1 381.564 3.907 20 0 GHADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568460 1050013108 /nfs/dbraw/zinc/01/31/08/1050013108.db2.gz DYAODOJMYZTPGH-ZFWWWQNUSA-N 2 1 383.330 3.540 20 0 GHADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568460 1050013111 /nfs/dbraw/zinc/01/31/11/1050013111.db2.gz DYAODOJMYZTPGH-ZFWWWQNUSA-N 2 1 383.330 3.540 20 0 GHADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568460 1050013116 /nfs/dbraw/zinc/01/31/16/1050013116.db2.gz DYAODOJMYZTPGH-ZFWWWQNUSA-N 2 1 383.330 3.540 20 0 GHADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(Br)c2)C[C@@H]1C ZINC001308568460 1050013119 /nfs/dbraw/zinc/01/31/19/1050013119.db2.gz DYAODOJMYZTPGH-ZFWWWQNUSA-N 2 1 383.330 3.540 20 0 GHADMP COC(=O)c1c[nH]c(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001308729062 1050073265 /nfs/dbraw/zinc/07/32/65/1050073265.db2.gz WQEXNHBVYPSPPZ-HSZRJFAPSA-N 2 1 381.520 3.681 20 0 GHADMP COC(=O)c1c[nH]c(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C1CC1 ZINC001308729062 1050073268 /nfs/dbraw/zinc/07/32/68/1050073268.db2.gz WQEXNHBVYPSPPZ-HSZRJFAPSA-N 2 1 381.520 3.681 20 0 GHADMP CCOC(=O)COc1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001308728751 1050073351 /nfs/dbraw/zinc/07/33/51/1050073351.db2.gz SWNBFKSPOSGVHI-DEOSSOPVSA-N 2 1 396.531 3.630 20 0 GHADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001327685157 1050253037 /nfs/dbraw/zinc/25/30/37/1050253037.db2.gz KPBUVIHHDDORFM-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001327685157 1050253045 /nfs/dbraw/zinc/25/30/45/1050253045.db2.gz KPBUVIHHDDORFM-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001327685157 1050253058 /nfs/dbraw/zinc/25/30/58/1050253058.db2.gz KPBUVIHHDDORFM-VEEZFSHISA-N 2 1 386.584 3.602 20 0 GHADMP C[C@@H](C(=O)Nc1ccnn1[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001328649000 1050575560 /nfs/dbraw/zinc/57/55/60/1050575560.db2.gz KXVNBEWEFICMQS-YOUFYPILSA-N 2 1 395.551 3.530 20 0 GHADMP C[C@@H](C(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC001328649000 1050575566 /nfs/dbraw/zinc/57/55/66/1050575566.db2.gz KXVNBEWEFICMQS-YOUFYPILSA-N 2 1 395.551 3.530 20 0 GHADMP CC[NH+](CC)C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001331287910 1051237698 /nfs/dbraw/zinc/23/76/98/1051237698.db2.gz NUOHAWSEAMERGS-PZJWPPBQSA-N 2 1 386.584 3.555 20 0 GHADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2c(cccc2O)s1 ZINC001331568262 1051329033 /nfs/dbraw/zinc/32/90/33/1051329033.db2.gz YNQCHEULWLMSDO-GOSISDBHSA-N 2 1 382.529 3.853 20 0 GHADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)cc1OCc1cccnc1 ZINC001334355307 1051933453 /nfs/dbraw/zinc/93/34/53/1051933453.db2.gz BRVVRKKECPQPSA-BHDDXSALSA-N 2 1 395.547 3.831 20 0 GHADMP CC(C)[NH+](CCNC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C)C(C)C ZINC001311421126 1052125601 /nfs/dbraw/zinc/12/56/01/1052125601.db2.gz SDGUAYGQMXHBKS-NJDAHSKKSA-N 2 1 388.600 3.798 20 0 GHADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC001311436186 1052145919 /nfs/dbraw/zinc/14/59/19/1052145919.db2.gz KWIDUPFJMNEXPR-PZJWPPBQSA-N 2 1 386.584 3.603 20 0 GHADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001311670255 1052316943 /nfs/dbraw/zinc/31/69/43/1052316943.db2.gz SVNSCAOUKWECBW-JOCHJYFZSA-N 2 1 398.595 3.605 20 0 GHADMP CCN(CCC[NH+](CC)CC)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC001311719726 1052354329 /nfs/dbraw/zinc/35/43/29/1052354329.db2.gz AZYYYJJBSNDWMQ-UHFFFAOYSA-N 2 1 388.600 3.587 20 0 GHADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)ccc1OCc1ccncc1 ZINC001336888389 1052358311 /nfs/dbraw/zinc/35/83/11/1052358311.db2.gz JPQPFIPGPBWBHF-FDFHNCONSA-N 2 1 395.547 3.831 20 0 GHADMP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001311996302 1052520586 /nfs/dbraw/zinc/52/05/86/1052520586.db2.gz GAGIYLZFKBZLEB-KNQAVFIVSA-N 2 1 386.584 3.584 20 0 GHADMP C[C@H]1CN(C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+](C2CCC2)C1 ZINC001312713033 1052846260 /nfs/dbraw/zinc/84/62/60/1052846260.db2.gz KTGQMQCJSDKBHG-HXUWFJFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+](C2CCC2)C1 ZINC001312713033 1052846263 /nfs/dbraw/zinc/84/62/63/1052846263.db2.gz KTGQMQCJSDKBHG-HXUWFJFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H]1CN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+](C2CCC2)C1 ZINC001312713033 1052846270 /nfs/dbraw/zinc/84/62/70/1052846270.db2.gz KTGQMQCJSDKBHG-HXUWFJFHSA-N 2 1 398.595 3.557 20 0 GHADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCCCC23CC[NH2+]CC3)cc1)[NH+]1CCOCC1 ZINC001343423638 1053764380 /nfs/dbraw/zinc/76/43/80/1053764380.db2.gz MESWZNLVTSOUHE-NQIIRXRSSA-N 2 1 385.552 3.578 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001318409986 1054618534 /nfs/dbraw/zinc/61/85/34/1054618534.db2.gz NNRHGPIXYRAMAM-HSZRJFAPSA-N 2 1 398.595 3.597 20 0 GHADMP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001318409986 1054618538 /nfs/dbraw/zinc/61/85/38/1054618538.db2.gz NNRHGPIXYRAMAM-HSZRJFAPSA-N 2 1 398.595 3.597 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC001318410271 1054619184 /nfs/dbraw/zinc/61/91/84/1054619184.db2.gz RELSOLGIBOZEMP-LEWJYISDSA-N 2 1 385.577 3.830 20 0 GHADMP Cc1cccc(C[NH+]2CCCC[C@H]2C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001318665624 1054784623 /nfs/dbraw/zinc/78/46/23/1054784623.db2.gz QZEZVPPBFMCWCE-GGAORHGYSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)c1 ZINC001318665624 1054784635 /nfs/dbraw/zinc/78/46/35/1054784635.db2.gz QZEZVPPBFMCWCE-GGAORHGYSA-N 2 1 385.596 3.978 20 0 GHADMP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)c1 ZINC001318665624 1054784645 /nfs/dbraw/zinc/78/46/45/1054784645.db2.gz QZEZVPPBFMCWCE-GGAORHGYSA-N 2 1 385.596 3.978 20 0 GHADMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cnc2ccsc2c1 ZINC001319391317 1055223354 /nfs/dbraw/zinc/22/33/54/1055223354.db2.gz AABVPJAQUDTANN-QGZVFWFLSA-N 2 1 380.561 3.895 20 0 GHADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001319395113 1055226459 /nfs/dbraw/zinc/22/64/59/1055226459.db2.gz VRNRZCNKAJOSOR-XMMPIXPASA-N 2 1 379.548 3.610 20 0 GHADMP Cc1c(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)ccc2c[nH+]cn21 ZINC001319972298 1055571407 /nfs/dbraw/zinc/57/14/07/1055571407.db2.gz HHNVREFKUPNKAQ-UHFFFAOYSA-N 2 1 388.471 3.798 20 0 GHADMP Cc1c(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)ccc2c[nH+]cn21 ZINC001319972298 1055571416 /nfs/dbraw/zinc/57/14/16/1055571416.db2.gz HHNVREFKUPNKAQ-UHFFFAOYSA-N 2 1 388.471 3.798 20 0 GHADMP CC[N@@H+](CCC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1)CC1CC1 ZINC001320696689 1055931002 /nfs/dbraw/zinc/93/10/02/1055931002.db2.gz IADRTANCXRPBHW-HSZRJFAPSA-N 2 1 383.580 3.794 20 0 GHADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001320834233 1055979827 /nfs/dbraw/zinc/97/98/27/1055979827.db2.gz QQEPVCBPLGKKSM-UHFFFAOYSA-N 2 1 376.545 3.695 20 0 GHADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001320834233 1055979831 /nfs/dbraw/zinc/97/98/31/1055979831.db2.gz QQEPVCBPLGKKSM-UHFFFAOYSA-N 2 1 376.545 3.695 20 0 GHADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001320908715 1056010481 /nfs/dbraw/zinc/01/04/81/1056010481.db2.gz SHBITXRKAAMEEQ-DHIUTWEWSA-N 2 1 395.522 3.987 20 0 GHADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC001320908715 1056010494 /nfs/dbraw/zinc/01/04/94/1056010494.db2.gz SHBITXRKAAMEEQ-DHIUTWEWSA-N 2 1 395.522 3.987 20 0 GHADMP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001353959842 1056188455 /nfs/dbraw/zinc/18/84/55/1056188455.db2.gz AOVAHXXLBTZCNK-GOTSBHOMSA-N 2 1 385.596 3.771 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)c2)CC1 ZINC001321370069 1056237565 /nfs/dbraw/zinc/23/75/65/1056237565.db2.gz JRVKMVWIQOIRFZ-VWNXMTODSA-N 2 1 378.564 3.645 20 0 GHADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001354676113 1056883158 /nfs/dbraw/zinc/88/31/58/1056883158.db2.gz QFFZBZIQHGXROW-KAOXLYBCSA-N 2 1 385.596 3.770 20 0 GHADMP Cc1cc(N2CCC([NH2+]Cc3cccc(Br)c3)CC2)nc(C)[nH+]1 ZINC001200820927 1056989098 /nfs/dbraw/zinc/98/90/98/1056989098.db2.gz KSHYYSFZYOGCSG-UHFFFAOYSA-N 2 1 375.314 3.615 20 0 GHADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000848566400 1057182007 /nfs/dbraw/zinc/18/20/07/1057182007.db2.gz XAZDFRLGUPWOEA-VNQPRFMTSA-N 2 1 381.586 3.687 20 0 GHADMP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001325149987 1057281300 /nfs/dbraw/zinc/28/13/00/1057281300.db2.gz GVZMSGVIAXFTAV-UTKZUKDTSA-N 2 1 376.504 3.940 20 0 GHADMP C[N@@H+](Cc1ccccc1CNC(=O)NC1CC2(CC([NH3+])C2)C1)C1CCCCC1 ZINC001356583444 1057557947 /nfs/dbraw/zinc/55/79/47/1057557947.db2.gz FOXRPYNQHNNRDT-UHFFFAOYSA-N 2 1 384.568 3.520 20 0 GHADMP Cc1ccc(NC(=[NH2+])NCCC[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC001326905059 1057571190 /nfs/dbraw/zinc/57/11/90/1057571190.db2.gz HULGANROYLWKAN-UHFFFAOYSA-N 2 1 385.943 3.797 20 0 GHADMP Cc1cccc(-c2nn(C[N@@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c(=S)n2C)c1 ZINC001337805474 1058271683 /nfs/dbraw/zinc/27/16/83/1058271683.db2.gz LFEHHNJSLUCQKT-IPMKNSEASA-N 2 1 385.581 3.546 20 0 GHADMP Cc1cccc(-c2nn(C[N@H+]3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c(=S)n2C)c1 ZINC001337805474 1058271698 /nfs/dbraw/zinc/27/16/98/1058271698.db2.gz LFEHHNJSLUCQKT-IPMKNSEASA-N 2 1 385.581 3.546 20 0 GHADMP COc1ccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+]2CCCC2)cc1 ZINC001440374472 1058507124 /nfs/dbraw/zinc/50/71/24/1058507124.db2.gz ODKDVNHSRUEERN-GOTSBHOMSA-N 2 1 399.579 3.745 20 0 GHADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)cc1 ZINC001441370700 1058771419 /nfs/dbraw/zinc/77/14/19/1058771419.db2.gz KAMUMHWQHHORMU-JPYJTQIMSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001441370700 1058771438 /nfs/dbraw/zinc/77/14/38/1058771438.db2.gz KAMUMHWQHHORMU-JPYJTQIMSA-N 2 1 389.559 3.890 20 0 GHADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001441370700 1058771448 /nfs/dbraw/zinc/77/14/48/1058771448.db2.gz KAMUMHWQHHORMU-JPYJTQIMSA-N 2 1 389.559 3.890 20 0 GHADMP C[NH+](C)CCc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001443547556 1059149555 /nfs/dbraw/zinc/14/95/55/1059149555.db2.gz FPNDURDRCTWYJV-UHFFFAOYSA-N 2 1 379.548 3.527 20 0 GHADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001448109620 1060107324 /nfs/dbraw/zinc/10/73/24/1060107324.db2.gz IJWNSHABLHZZEA-NRFANRHFSA-N 2 1 383.536 3.762 20 0 GHADMP C[N@@H+](Cc1ccccc1NC(=O)C1CC2(C1)C[C@H]([NH3+])CCO2)C1CCCCC1 ZINC001340773773 1060115045 /nfs/dbraw/zinc/11/50/45/1060115045.db2.gz KNVCNFVOJXLGMW-FVRICEFQSA-N 2 1 385.552 3.676 20 0 GHADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC001450779171 1060684457 /nfs/dbraw/zinc/68/44/57/1060684457.db2.gz AVBQRALGPYPRJP-OIBXWCBGSA-N 2 1 379.548 3.849 20 0 GHADMP CC[C@@H]1c2ccccc2CN1C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341462588 1060700028 /nfs/dbraw/zinc/70/00/28/1060700028.db2.gz BRJOQCTUTBCMIX-JOCHJYFZSA-N 2 1 377.532 3.864 20 0 GHADMP CCCN(C(=O)c1coc([C@@H]2CCC[NH2+]2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001341570672 1060751648 /nfs/dbraw/zinc/75/16/48/1060751648.db2.gz IJGJUSGTHRGUKO-PMACEKPBSA-N 2 1 396.535 3.616 20 0 GHADMP [NH3+][C@H](CC(=O)Nc1ccc2[nH]c(C[NH+]3CCCCC3)nc2c1)c1ccccc1 ZINC001346104836 1061366154 /nfs/dbraw/zinc/36/61/54/1061366154.db2.gz KEMROYWLNQTINR-GOSISDBHSA-N 2 1 377.492 3.577 20 0 GHADMP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001454127300 1061619326 /nfs/dbraw/zinc/61/93/26/1061619326.db2.gz PWHQQCJWDAKIKK-MZYLBHOOSA-N 2 1 385.596 3.520 20 0 GHADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC001454880611 1061950650 /nfs/dbraw/zinc/95/06/50/1061950650.db2.gz SLWYYRQRIQHCRJ-VWNXMTODSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001454880611 1061950655 /nfs/dbraw/zinc/95/06/55/1061950655.db2.gz SLWYYRQRIQHCRJ-VWNXMTODSA-N 2 1 397.607 3.854 20 0 GHADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCCC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001454880611 1061950656 /nfs/dbraw/zinc/95/06/56/1061950656.db2.gz SLWYYRQRIQHCRJ-VWNXMTODSA-N 2 1 397.607 3.854 20 0 GHADMP Cc1c(C(=O)OC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001348167646 1062943973 /nfs/dbraw/zinc/94/39/73/1062943973.db2.gz RONLFYGKICAEQL-NRFANRHFSA-N 2 1 390.487 3.787 20 0 GHADMP Cc1c(C(=O)OC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cnn1-c1cc[nH+]cc1 ZINC001348167646 1062943981 /nfs/dbraw/zinc/94/39/81/1062943981.db2.gz RONLFYGKICAEQL-NRFANRHFSA-N 2 1 390.487 3.787 20 0 GHADMP CC[NH+](CC)CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ccccc1 ZINC001457208758 1063030139 /nfs/dbraw/zinc/03/01/39/1063030139.db2.gz YGALNRVQDFEMHW-PKTZIBPZSA-N 2 1 394.563 3.635 20 0 GHADMP CC[NH+](CC)CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1ccccc1 ZINC001457208758 1063030158 /nfs/dbraw/zinc/03/01/58/1063030158.db2.gz YGALNRVQDFEMHW-PKTZIBPZSA-N 2 1 394.563 3.635 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC001437720888 1063922082 /nfs/dbraw/zinc/92/20/82/1063922082.db2.gz AXVJUPFWHFCASK-NFBKMPQASA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001437720888 1063922084 /nfs/dbraw/zinc/92/20/84/1063922084.db2.gz AXVJUPFWHFCASK-NFBKMPQASA-N 2 1 389.559 3.568 20 0 GHADMP CC(C)[C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC001437720888 1063922094 /nfs/dbraw/zinc/92/20/94/1063922094.db2.gz AXVJUPFWHFCASK-NFBKMPQASA-N 2 1 389.559 3.568 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)O2 ZINC001459604041 1064140052 /nfs/dbraw/zinc/14/00/52/1064140052.db2.gz IKODCCNUEZIFNA-QTGUNEKASA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)O2 ZINC001459604041 1064140059 /nfs/dbraw/zinc/14/00/59/1064140059.db2.gz IKODCCNUEZIFNA-QTGUNEKASA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)O2 ZINC001459604041 1064140063 /nfs/dbraw/zinc/14/00/63/1064140063.db2.gz IKODCCNUEZIFNA-QTGUNEKASA-N 2 1 380.532 3.984 20 0 GHADMP COc1ccc2c(c1)C[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)O2 ZINC001459604041 1064140066 /nfs/dbraw/zinc/14/00/66/1064140066.db2.gz IKODCCNUEZIFNA-QTGUNEKASA-N 2 1 380.532 3.984 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001459622568 1064147884 /nfs/dbraw/zinc/14/78/84/1064147884.db2.gz KIVVPIQHUGWHGI-LOSJGSFVSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001459622568 1064147889 /nfs/dbraw/zinc/14/78/89/1064147889.db2.gz KIVVPIQHUGWHGI-LOSJGSFVSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001459622568 1064147898 /nfs/dbraw/zinc/14/78/98/1064147898.db2.gz KIVVPIQHUGWHGI-LOSJGSFVSA-N 2 1 378.560 3.968 20 0 GHADMP C[C@]1(CCc2ccccc2)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001459622568 1064147901 /nfs/dbraw/zinc/14/79/01/1064147901.db2.gz KIVVPIQHUGWHGI-LOSJGSFVSA-N 2 1 378.560 3.968 20 0 GHADMP Cc1cc(C)cc(C[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC001460059931 1064386214 /nfs/dbraw/zinc/38/62/14/1064386214.db2.gz XLCVUZCRELSMAN-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1cc(C)cc(C[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC001460059931 1064386224 /nfs/dbraw/zinc/38/62/24/1064386224.db2.gz XLCVUZCRELSMAN-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC001460059931 1064386239 /nfs/dbraw/zinc/38/62/39/1064386239.db2.gz XLCVUZCRELSMAN-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP Cc1cc(C)cc(C[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC001460059931 1064386251 /nfs/dbraw/zinc/38/62/51/1064386251.db2.gz XLCVUZCRELSMAN-UHFFFAOYSA-N 2 1 393.575 3.778 20 0 GHADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC001464449418 1065015683 /nfs/dbraw/zinc/01/56/83/1065015683.db2.gz IUFLHCYCBKQRAQ-RBBKRZOGSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC001464449418 1065015691 /nfs/dbraw/zinc/01/56/91/1065015691.db2.gz IUFLHCYCBKQRAQ-RBBKRZOGSA-N 2 1 385.596 3.568 20 0 GHADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC001464449418 1065015705 /nfs/dbraw/zinc/01/57/05/1065015705.db2.gz IUFLHCYCBKQRAQ-RBBKRZOGSA-N 2 1 385.596 3.568 20 0 GHADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)nc(C(C)(C)C)c1 ZINC001464692306 1065158909 /nfs/dbraw/zinc/15/89/09/1065158909.db2.gz GXCKPWYUQYSZBF-KRWDZBQOSA-N 2 1 394.991 3.521 20 0 GHADMP CC[C@@H]1CCC[C@@]1(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001465616379 1065748419 /nfs/dbraw/zinc/74/84/19/1065748419.db2.gz ZMWGLSYSNXKRME-NFBKMPQASA-N 2 1 377.617 3.858 20 0 GHADMP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001467684555 1067418949 /nfs/dbraw/zinc/41/89/49/1067418949.db2.gz SBEUQOOZISKZHT-ONTIZHBOSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001467684555 1067418958 /nfs/dbraw/zinc/41/89/58/1067418958.db2.gz SBEUQOOZISKZHT-ONTIZHBOSA-N 2 1 386.584 3.585 20 0 GHADMP CCN(C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC001467684555 1067418964 /nfs/dbraw/zinc/41/89/64/1067418964.db2.gz SBEUQOOZISKZHT-ONTIZHBOSA-N 2 1 386.584 3.585 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](CC)C1 ZINC001477799530 1078571648 /nfs/dbraw/zinc/57/16/48/1078571648.db2.gz RARCZXZSGUREFK-WOJBJXKFSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001477799530 1078571652 /nfs/dbraw/zinc/57/16/52/1078571652.db2.gz RARCZXZSGUREFK-WOJBJXKFSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC001477799530 1078571656 /nfs/dbraw/zinc/57/16/56/1078571656.db2.gz RARCZXZSGUREFK-WOJBJXKFSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](CC)C1 ZINC001477799528 1078571818 /nfs/dbraw/zinc/57/18/18/1078571818.db2.gz RARCZXZSGUREFK-UXHICEINSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001477799528 1078571829 /nfs/dbraw/zinc/57/18/29/1078571829.db2.gz RARCZXZSGUREFK-UXHICEINSA-N 2 1 380.621 3.841 20 0 GHADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC001477799528 1078571837 /nfs/dbraw/zinc/57/18/37/1078571837.db2.gz RARCZXZSGUREFK-UXHICEINSA-N 2 1 380.621 3.841 20 0 GHADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC001468606143 1067789262 /nfs/dbraw/zinc/78/92/62/1067789262.db2.gz NMIJNADYNBTJMM-HXUWFJFHSA-N 2 1 394.991 3.726 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001468606143 1067789267 /nfs/dbraw/zinc/78/92/67/1067789267.db2.gz NMIJNADYNBTJMM-HXUWFJFHSA-N 2 1 394.991 3.726 20 0 GHADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001468606143 1067789270 /nfs/dbraw/zinc/78/92/70/1067789270.db2.gz NMIJNADYNBTJMM-HXUWFJFHSA-N 2 1 394.991 3.726 20 0 GHADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001468631493 1067797746 /nfs/dbraw/zinc/79/77/46/1067797746.db2.gz SQTPVWCCGLLQLL-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001468631493 1067797754 /nfs/dbraw/zinc/79/77/54/1067797754.db2.gz SQTPVWCCGLLQLL-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001468631493 1067797761 /nfs/dbraw/zinc/79/77/61/1067797761.db2.gz SQTPVWCCGLLQLL-FGZHOGPDSA-N 2 1 386.584 3.605 20 0 GHADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCC1)c1ccccc1 ZINC001468829046 1067902956 /nfs/dbraw/zinc/90/29/56/1067902956.db2.gz BSAGLKNOJTXFLN-AZUAARDMSA-N 2 1 386.584 3.822 20 0 GHADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC001469160168 1068002449 /nfs/dbraw/zinc/00/24/49/1068002449.db2.gz GXIGVTYNWYVHLB-KOENEWCDSA-N 2 1 398.595 3.666 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001469570447 1068231380 /nfs/dbraw/zinc/23/13/80/1068231380.db2.gz VMAATFIHUMSCCU-WPYKKVEZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001469570447 1068231387 /nfs/dbraw/zinc/23/13/87/1068231387.db2.gz VMAATFIHUMSCCU-WPYKKVEZSA-N 2 1 398.595 3.603 20 0 GHADMP C[C@H](NC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001469570447 1068231404 /nfs/dbraw/zinc/23/14/04/1068231404.db2.gz VMAATFIHUMSCCU-WPYKKVEZSA-N 2 1 398.595 3.603 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC001469896182 1068455971 /nfs/dbraw/zinc/45/59/71/1068455971.db2.gz VMEHQIPXRQHFKT-FCHUYYIVSA-N 2 1 399.966 3.718 20 0 GHADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)c1cccc(Cl)c1 ZINC001469896182 1068455975 /nfs/dbraw/zinc/45/59/75/1068455975.db2.gz VMEHQIPXRQHFKT-FCHUYYIVSA-N 2 1 399.966 3.718 20 0 GHADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001469945084 1068484101 /nfs/dbraw/zinc/48/41/01/1068484101.db2.gz QLXKRWJPSMFPSQ-OAQYLSRUSA-N 2 1 390.616 3.739 20 0 GHADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187806 1068846323 /nfs/dbraw/zinc/84/63/23/1068846323.db2.gz TVTPYHVTRPADCG-BHIYHBOVSA-N 2 1 381.358 3.679 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187806 1068846339 /nfs/dbraw/zinc/84/63/39/1068846339.db2.gz TVTPYHVTRPADCG-BHIYHBOVSA-N 2 1 381.358 3.679 20 0 GHADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC001460187806 1068846355 /nfs/dbraw/zinc/84/63/55/1068846355.db2.gz TVTPYHVTRPADCG-BHIYHBOVSA-N 2 1 381.358 3.679 20 0 GHADMP CC(C)OCC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001460536491 1068990444 /nfs/dbraw/zinc/99/04/44/1068990444.db2.gz AGSNZHNIJYDVHE-XZOQPEGZSA-N 2 1 388.596 3.785 20 0 GHADMP Cc1cc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)ccc1Br ZINC001460936076 1069283851 /nfs/dbraw/zinc/28/38/51/1069283851.db2.gz BIMJGQPMSVJMSE-UHFFFAOYSA-N 2 1 381.358 3.570 20 0 GHADMP CCC[N@H+](CC(=O)NCc1cccc(C)c1)C1CCN(Cc2ccccc2)CC1 ZINC001460937669 1069285096 /nfs/dbraw/zinc/28/50/96/1069285096.db2.gz ODMLCSRGDCJQKJ-UHFFFAOYSA-N 2 1 393.575 3.988 20 0 GHADMP CCC[N@@H+](CC(=O)NCc1cccc(C)c1)C1CCN(Cc2ccccc2)CC1 ZINC001460937669 1069285109 /nfs/dbraw/zinc/28/51/09/1069285109.db2.gz ODMLCSRGDCJQKJ-UHFFFAOYSA-N 2 1 393.575 3.988 20 0 GHADMP C[N@H+]1CCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CCC1(C)C ZINC001470650598 1072669963 /nfs/dbraw/zinc/66/99/63/1072669963.db2.gz NTDZARLHSIRDHU-XZOQPEGZSA-N 2 1 397.607 3.868 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCC1(C)C ZINC001470650598 1072669965 /nfs/dbraw/zinc/66/99/65/1072669965.db2.gz NTDZARLHSIRDHU-XZOQPEGZSA-N 2 1 397.607 3.868 20 0 GHADMP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CCC1(C)C ZINC001470650598 1072669970 /nfs/dbraw/zinc/66/99/70/1072669970.db2.gz NTDZARLHSIRDHU-XZOQPEGZSA-N 2 1 397.607 3.868 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC001471063078 1072910170 /nfs/dbraw/zinc/91/01/70/1072910170.db2.gz KXADRAIBGXOZDT-FQEVSTJZSA-N 2 1 385.577 3.984 20 0 GHADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC001471063078 1072910174 /nfs/dbraw/zinc/91/01/74/1072910174.db2.gz KXADRAIBGXOZDT-FQEVSTJZSA-N 2 1 385.577 3.984 20 0 GHADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001478957571 1079039684 /nfs/dbraw/zinc/03/96/84/1079039684.db2.gz ROARSQVPEWYSKS-KSEOMHKRSA-N 2 1 388.600 3.674 20 0 GHADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC001478957571 1079039688 /nfs/dbraw/zinc/03/96/88/1079039688.db2.gz ROARSQVPEWYSKS-KSEOMHKRSA-N 2 1 388.600 3.674 20 0 GHADMP CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156118 1073814177 /nfs/dbraw/zinc/81/41/77/1073814177.db2.gz PNHJQUVLFJHIQP-CTNGQTDRSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@@H](C)[C@H](C)[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156118 1073814181 /nfs/dbraw/zinc/81/41/81/1073814181.db2.gz PNHJQUVLFJHIQP-CTNGQTDRSA-N 2 1 385.596 3.928 20 0 GHADMP CC[C@@H](C)[C@H](C)[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CC1 ZINC001473156118 1073814184 /nfs/dbraw/zinc/81/41/84/1073814184.db2.gz PNHJQUVLFJHIQP-CTNGQTDRSA-N 2 1 385.596 3.928 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC001473170435 1073828667 /nfs/dbraw/zinc/82/86/67/1073828667.db2.gz NKWDHCZZZLIMSW-HSALFYBXSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC001473170435 1073828675 /nfs/dbraw/zinc/82/86/75/1073828675.db2.gz NKWDHCZZZLIMSW-HSALFYBXSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC001473170435 1073828681 /nfs/dbraw/zinc/82/86/81/1073828681.db2.gz NKWDHCZZZLIMSW-HSALFYBXSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC001473170435 1073828690 /nfs/dbraw/zinc/82/86/90/1073828690.db2.gz NKWDHCZZZLIMSW-HSALFYBXSA-N 2 1 394.987 3.975 20 0 GHADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCC[C@H]2CC(C)C)CC1 ZINC001473252518 1073890856 /nfs/dbraw/zinc/89/08/56/1073890856.db2.gz NUXDDAGYJLCMEM-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCC[C@H]2CC(C)C)CC1 ZINC001473252518 1073890865 /nfs/dbraw/zinc/89/08/65/1073890865.db2.gz NUXDDAGYJLCMEM-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC[C@H]2CC(C)C)CC1 ZINC001473252518 1073890872 /nfs/dbraw/zinc/89/08/72/1073890872.db2.gz NUXDDAGYJLCMEM-QHCPKHFHSA-N 2 1 385.596 3.930 20 0 GHADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CCO1 ZINC001473677190 1074080971 /nfs/dbraw/zinc/08/09/71/1074080971.db2.gz DLMLSWVZXMVXJD-LJQANCHMSA-N 2 1 388.474 3.907 20 0 GHADMP O=C1CCCN1C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473712533 1074102032 /nfs/dbraw/zinc/10/20/32/1074102032.db2.gz FOYHGERKEQIBKU-XMMPIXPASA-N 2 1 397.607 3.808 20 0 GHADMP O=C1CCCN1C[C@H]1CCCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001473712533 1074102035 /nfs/dbraw/zinc/10/20/35/1074102035.db2.gz FOYHGERKEQIBKU-XMMPIXPASA-N 2 1 397.607 3.808 20 0 GHADMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC001473716367 1074104478 /nfs/dbraw/zinc/10/44/78/1074104478.db2.gz FYCBIHKAUKFIKT-XMMPIXPASA-N 2 1 385.596 3.605 20 0 GHADMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccccc3N3CCCCC3)c2)CC1 ZINC001473976349 1074223550 /nfs/dbraw/zinc/22/35/50/1074223550.db2.gz MHLZNRQVSASFLI-UHFFFAOYSA-N 2 1 392.591 3.714 20 0 GHADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC001474019883 1074238593 /nfs/dbraw/zinc/23/85/93/1074238593.db2.gz IMQQSDCNYDZWSW-LADGPHEKSA-N 2 1 382.548 3.694 20 0 GHADMP CC(C)COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC001474019883 1074238595 /nfs/dbraw/zinc/23/85/95/1074238595.db2.gz IMQQSDCNYDZWSW-LADGPHEKSA-N 2 1 382.548 3.694 20 0 GHADMP C[NH+](C)Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c2c1OC(F)(F)O2 ZINC001474212139 1074295766 /nfs/dbraw/zinc/29/57/66/1074295766.db2.gz NFRDERPOTXIVPA-SFHVURJKSA-N 2 1 395.494 3.566 20 0 GHADMP C[NH+]1CCC(C[NH2+]C2CCN(CCc3ccccc3)CC2)(c2ccccc2)CC1 ZINC001474237655 1074304554 /nfs/dbraw/zinc/30/45/54/1074304554.db2.gz WQKCXKDIBMLWTL-UHFFFAOYSA-N 2 1 391.603 3.947 20 0 GHADMP CC1(C)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@H]1Oc1ccccc1 ZINC001474388758 1074380576 /nfs/dbraw/zinc/38/05/76/1074380576.db2.gz VCKZHDOMVIHATF-QPTUXGOLSA-N 2 1 394.559 3.979 20 0 GHADMP CCN(CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)CCC(F)(F)F ZINC001474437973 1074406265 /nfs/dbraw/zinc/40/62/65/1074406265.db2.gz AYZVQRUZFGOVLC-UFYCRDLUSA-N 2 1 383.502 3.903 20 0 GHADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505146 1074436550 /nfs/dbraw/zinc/43/65/50/1074436550.db2.gz PTCMVTKFXNVHFJ-MUKFEANQSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505146 1074436553 /nfs/dbraw/zinc/43/65/53/1074436553.db2.gz PTCMVTKFXNVHFJ-MUKFEANQSA-N 2 1 377.573 3.581 20 0 GHADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001474505146 1074436559 /nfs/dbraw/zinc/43/65/59/1074436559.db2.gz PTCMVTKFXNVHFJ-MUKFEANQSA-N 2 1 377.573 3.581 20 0 GHADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001474678661 1074510166 /nfs/dbraw/zinc/51/01/66/1074510166.db2.gz XDVMYUIIMTYDHX-JOCHJYFZSA-N 2 1 381.605 3.933 20 0 GHADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001474686571 1074514944 /nfs/dbraw/zinc/51/49/44/1074514944.db2.gz ZVOSMDPANNEZFZ-SFHVURJKSA-N 2 1 375.520 3.903 20 0 GHADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001474743993 1074542878 /nfs/dbraw/zinc/54/28/78/1074542878.db2.gz AHXMTOSZEIBXBL-VJBWXMMDSA-N 2 1 378.516 3.864 20 0 GHADMP CC[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[NH+](C(C)C)C(C)C ZINC001495863170 1079432470 /nfs/dbraw/zinc/43/24/70/1079432470.db2.gz AQOISIDSYFLCSV-UXHICEINSA-N 2 1 390.620 3.585 20 0 GHADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000820702947 606211558 /nfs/dbraw/zinc/21/15/58/606211558.db2.gz BRBMVCWLMMOZAT-HNNXBMFYSA-N 2 1 382.537 3.592 20 0 GHADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626124 609326408 /nfs/dbraw/zinc/32/64/08/609326408.db2.gz MBPFVRVRFICCPE-OAHLLOKOSA-N 2 1 382.487 3.697 20 0 GHADMP